smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(CC1CC[NH+](C)CC1)c1cc(N)ncn1 ZINC000112750457 721936135 /nfs/dbraw/zinc/93/61/35/721936135.db2.gz RGTDUIBBDFMZBL-UHFFFAOYSA-N 1 0 235.335 0.837 10 0 BCAERO CCC[N@@H+]1CC[C@H](N)[C@]12CN1CCC2CC1 ZINC000685953489 538897773 /nfs/dbraw/zinc/89/77/73/538897773.db2.gz HTVPHQJOTMNBKU-QWHCGFSZSA-N 1 0 223.364 0.894 10 0 BCAERO CC(C)(C)OC(=O)c1n[nH]nc1CCC[NH3+] ZINC000685953962 538898787 /nfs/dbraw/zinc/89/87/87/538898787.db2.gz QWUGTENLUJMTDX-UHFFFAOYSA-N 1 0 226.280 0.651 10 0 BCAERO COC(=O)c1n[nH]nc1[C@@H]1CC[NH2+]C[C@@H]1C ZINC000685954834 538899599 /nfs/dbraw/zinc/89/95/99/538899599.db2.gz VLSCJODRZPGRFS-NKWVEPMBSA-N 1 0 224.264 0.304 10 0 BCAERO COC(=O)c1n[nH]nc1[C@@H]1CCC[NH2+]C1 ZINC000685954950 538899696 /nfs/dbraw/zinc/89/96/96/538899696.db2.gz WNRKAAVJNFKKHA-ZCFIWIBFSA-N 1 0 210.237 0.058 10 0 BCAERO COC(=O)c1n[nH]nc1[C@H]1CC[NH2+]C[C@@H]1C ZINC000685954830 538899800 /nfs/dbraw/zinc/89/98/00/538899800.db2.gz VLSCJODRZPGRFS-BQBZGAKWSA-N 1 0 224.264 0.304 10 0 BCAERO CC[N@@H+]1CC[C@@H](N)[C@@]12CN1CCC2CC1 ZINC000685955260 538900303 /nfs/dbraw/zinc/90/03/03/538900303.db2.gz WYUSERNHGQMRDE-NEPJUHHUSA-N 1 0 209.337 0.504 10 0 BCAERO CC(C)[N@@H+]1CC[C@H](N)[C@]12CN1CCC2CC1 ZINC000685955214 538900433 /nfs/dbraw/zinc/90/04/33/538900433.db2.gz WITDNCHBQACLQS-QWHCGFSZSA-N 1 0 223.364 0.892 10 0 BCAERO CC(C)[N@@H+]1CC[C@@H](N)[C@@]12CN1CCC2CC1 ZINC000685955213 538900976 /nfs/dbraw/zinc/90/09/76/538900976.db2.gz WITDNCHBQACLQS-OLZOCXBDSA-N 1 0 223.364 0.892 10 0 BCAERO CC(C)N1CC[C@@H]([N@@H+]2CC[C@H](CCO)C2)C1=O ZINC000336698232 187320827 /nfs/dbraw/zinc/32/08/27/187320827.db2.gz KIZZXLDEZVMKJS-VXGBXAGGSA-N 1 0 240.347 0.700 10 0 BCAERO CCOC1CN(CC(F)(F)CNC)C1 ZINC000685957592 538904978 /nfs/dbraw/zinc/90/49/78/538904978.db2.gz CCGGKXAQQKDQJK-UHFFFAOYSA-N 1 0 208.252 0.562 10 0 BCAERO CC(C)[C@]1(CO)C[C@H]1C[NH+]1CCN(C)CC1 ZINC000685961429 538908417 /nfs/dbraw/zinc/90/84/17/538908417.db2.gz RLUMJXXIBWWEEA-QWHCGFSZSA-N 1 0 226.364 0.888 10 0 BCAERO COCC[NH2+]CC[C@H](CO)[C@H]1CCOC1 ZINC000685961846 538908559 /nfs/dbraw/zinc/90/85/59/538908559.db2.gz WXNWOHOADPJWPR-MNOVXSKESA-N 1 0 217.309 0.258 10 0 BCAERO CN(CCc1ccccn1)C(=O)[C@@H]1CC[NH2+]C1 ZINC000062112557 349438285 /nfs/dbraw/zinc/43/82/85/349438285.db2.gz NXWOXJHLOSFHRS-LLVKDONJSA-N 1 0 233.315 0.692 10 0 BCAERO CC(C)S(=O)(=O)NC[C@@H]1C[C@@H]2C[C@@H]([NH3+])[C@@H]2C1 ZINC000675074335 538915280 /nfs/dbraw/zinc/91/52/80/538915280.db2.gz ZZARVPOJTWIFQU-GWOFURMSSA-N 1 0 246.376 0.688 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@@H]1CO[C@@H](C2CC2)C1 ZINC000638695949 352533723 /nfs/dbraw/zinc/53/37/23/352533723.db2.gz SHDXGIGDZRBVJH-SASUGWTJSA-N 1 0 238.331 0.526 10 0 BCAERO CC[NH2+]CC[C@H](CO)[C@@H]1COC(C)(C)O1 ZINC000685963925 538910685 /nfs/dbraw/zinc/91/06/85/538910685.db2.gz ZOEZRMUBFYLEFO-ZJUUUORDSA-N 1 0 217.309 0.746 10 0 BCAERO CC[N@@H+]1CCO[C@H](Cn2cnc(N)c2)C1 ZINC000685964199 538911083 /nfs/dbraw/zinc/91/10/83/538911083.db2.gz LECSOOMEDPOAJH-VIFPVBQESA-N 1 0 210.281 0.186 10 0 BCAERO Cc1cc(CN(C)C(=O)[C@@H]2C[NH2+]C[C@H]2C)no1 ZINC000111264186 177968228 /nfs/dbraw/zinc/96/82/28/177968228.db2.gz HALMXIKPPGRIFS-LDYMZIIASA-N 1 0 237.303 0.797 10 0 BCAERO CCC(CC)(C[NH3+])C(=O)N[C@H]1CCCNC1=O ZINC000050397598 168322883 /nfs/dbraw/zinc/32/28/83/168322883.db2.gz BQYDIZGPEKUCJO-VIFPVBQESA-N 1 0 241.335 0.146 10 0 BCAERO CCC(=O)N(C)C1(C[NH3+])CCOCC1 ZINC000675053389 538916529 /nfs/dbraw/zinc/91/65/29/538916529.db2.gz JJJLCEXJTGVRIA-UHFFFAOYSA-N 1 0 200.282 0.363 10 0 BCAERO Cc1cccc(CNC(=O)[C@H]2C[C@H](F)C[NH2+]2)n1 ZINC000188725198 398145719 /nfs/dbraw/zinc/14/57/19/398145719.db2.gz HXIGSRJDWLZMPT-GXSJLCMTSA-N 1 0 237.278 0.706 10 0 BCAERO C[C@H]([NH2+]C[C@@H]1CN(C)CCO1)[C@H]1CCOC1 ZINC000161577720 349475690 /nfs/dbraw/zinc/47/56/90/349475690.db2.gz JFUVZULHNVOQCF-SDDRHHMPSA-N 1 0 228.336 0.332 10 0 BCAERO CN(Cc1cc[nH]n1)C[C@@H]1CC[N@H+](C)C1 ZINC000161817377 349508889 /nfs/dbraw/zinc/50/88/89/349508889.db2.gz LLWSUJUMPFFKAA-SNVBAGLBSA-N 1 0 208.309 0.793 10 0 BCAERO C[NH2+][C@H](C)C(=O)NCCc1nccs1 ZINC000063135434 349500099 /nfs/dbraw/zinc/50/00/99/349500099.db2.gz AZULACIQDUGZLO-SSDOTTSWSA-N 1 0 213.306 0.410 10 0 BCAERO C[C@@H]([NH3+])CCNC(=O)Cc1ccncc1 ZINC000063170697 349500537 /nfs/dbraw/zinc/50/05/37/349500537.db2.gz GWZXXJGNMNLNNC-SECBINFHSA-N 1 0 207.277 0.478 10 0 BCAERO Cn1nnnc1NCc1ccc(C[NH3+])cc1 ZINC000062938768 349502160 /nfs/dbraw/zinc/50/21/60/349502160.db2.gz RUWMOSSOPLSPKW-UHFFFAOYSA-N 1 0 218.264 0.281 10 0 BCAERO C[C@@H](O)C1CCN([C@@H](C)[C@H](C)[NH3+])CC1 ZINC000307511899 398173925 /nfs/dbraw/zinc/17/39/25/398173925.db2.gz LXEQDSOWDMSERX-LPEHRKFASA-N 1 0 200.326 0.815 10 0 BCAERO OC[C@@H]1CCC[N@@H+]1C[C@@H]1CCC[C@H](O)C1 ZINC000379891723 398175192 /nfs/dbraw/zinc/17/51/92/398175192.db2.gz AVLVWBPIGZBHSX-WOPDTQHZSA-N 1 0 213.321 0.994 10 0 BCAERO C[C@@H]1C[NH2+][C@@](C)([C@@H]2CNCCO2)S1 ZINC000575516828 398176233 /nfs/dbraw/zinc/17/62/33/398176233.db2.gz DLCWDDSELWVQPL-HRDYMLBCSA-N 1 0 202.323 0.416 10 0 BCAERO COC(=O)C1CCC([NH2+][C@@H]2C[C@H]2CO)CC1 ZINC000378735883 346817884 /nfs/dbraw/zinc/81/78/84/346817884.db2.gz NARZIRJETFJWQX-QONHTCSSSA-N 1 0 227.304 0.689 10 0 BCAERO Cc1ncoc1C(=O)N1CC[C@@H]([NH3+])[C@@H]1C ZINC000379777955 398165996 /nfs/dbraw/zinc/16/59/96/398165996.db2.gz DVDAZVIYCFKZHR-JGVFFNPUSA-N 1 0 209.249 0.545 10 0 BCAERO CN(Cc1ccccn1)C(=O)[C@H]1C[NH2+]CCOC1 ZINC000649354207 398167157 /nfs/dbraw/zinc/16/71/57/398167157.db2.gz PRUNWNYEVIBMMN-NSHDSACASA-N 1 0 249.314 0.276 10 0 BCAERO Cc1cc(N(C)CCC(N)=[NH2+])n2ncnc2n1 ZINC000035663738 178098899 /nfs/dbraw/zinc/09/88/99/178098899.db2.gz UCJBJXKNQFUZDB-UHFFFAOYSA-N 1 0 233.279 0.195 10 0 BCAERO Cc1cc2ncnn2c(N(C)CCC[NH3+])c1 ZINC000037673637 178099112 /nfs/dbraw/zinc/09/91/12/178099112.db2.gz VBPOLNTUYCZSMY-UHFFFAOYSA-N 1 0 219.292 0.823 10 0 BCAERO C[C@@H]1C[C@]2([NH2+]CCc3nc[nH]c32)[C@@H](C)O1 ZINC000400387450 398196547 /nfs/dbraw/zinc/19/65/47/398196547.db2.gz IYSIYGNIIPOFHA-XLDPMVHQSA-N 1 0 207.277 0.948 10 0 BCAERO Cc1c[nH]nc1[C@H](C[NH3+])C1(CO)CCC1 ZINC000536954136 398197984 /nfs/dbraw/zinc/19/79/84/398197984.db2.gz ONJOCLKONDPYLQ-VIFPVBQESA-N 1 0 209.293 0.923 10 0 BCAERO Cc1cc2ncnn2c(N2CCC[C@H]2C[NH3+])c1 ZINC000053663422 178116872 /nfs/dbraw/zinc/11/68/72/178116872.db2.gz FLQQTEGEQPXADT-JTQLQIEISA-N 1 0 231.303 0.965 10 0 BCAERO CN1CCC[C@H]1C[NH+]1CCC(OCCO)CC1 ZINC000386240069 398201024 /nfs/dbraw/zinc/20/10/24/398201024.db2.gz AQVUIAKLXVBXOS-LBPRGKRZSA-N 1 0 242.363 0.554 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)N1CCO[C@@H](C)[C@H]1C ZINC000380578186 398201252 /nfs/dbraw/zinc/20/12/52/398201252.db2.gz MFVZAGGLSQZYPG-OUAUKWLOSA-N 1 0 228.336 0.996 10 0 BCAERO Cc1cc2ncnn2c(N2CC[C@@H](C[NH3+])C2)c1 ZINC000050249877 178117998 /nfs/dbraw/zinc/11/79/98/178117998.db2.gz CCATYSSDLZHEGL-JTQLQIEISA-N 1 0 231.303 0.823 10 0 BCAERO C[C@@H]1CN(C(=O)c2cccnc2)C[C@@H]1C[NH3+] ZINC000638892559 398203801 /nfs/dbraw/zinc/20/38/01/398203801.db2.gz JGZPWHVGLGDYCK-KOLCDFICSA-N 1 0 219.288 0.748 10 0 BCAERO CC[C@](C)(O)CN(C)Cc1nncn1C ZINC000336712884 398205211 /nfs/dbraw/zinc/20/52/11/398205211.db2.gz VGOSVXOZFXEJGO-JTQLQIEISA-N 1 0 212.297 0.408 10 0 BCAERO [NH3+]CCN1CCC[C@H](c2ncccn2)C1 ZINC000616622006 398206911 /nfs/dbraw/zinc/20/69/11/398206911.db2.gz XXJLHUHBFXOLPO-JTQLQIEISA-N 1 0 206.293 0.615 10 0 BCAERO [NH3+]C1CC(CNS(=O)(=O)C2CCCC2)C1 ZINC000163137909 538926363 /nfs/dbraw/zinc/92/63/63/538926363.db2.gz PENKHEBYFAOHAP-UHFFFAOYSA-N 1 0 232.349 0.586 10 0 BCAERO Cc1cc(C)n(CCN2C[C@H]([NH3+])[C@@H](C)C2)n1 ZINC000386764445 398219833 /nfs/dbraw/zinc/21/98/33/398219833.db2.gz JCYNYOAKEMXYOP-CABZTGNLSA-N 1 0 222.336 0.779 10 0 BCAERO Cc1cc(NC[C@@H]([NH3+])C2CC2)n2ncnc2n1 ZINC000104322635 178164776 /nfs/dbraw/zinc/16/47/76/178164776.db2.gz XCEIIQSSPREXTO-SECBINFHSA-N 1 0 232.291 0.582 10 0 BCAERO CO[C@H](C[NH3+])C(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000261541926 536555744 /nfs/dbraw/zinc/55/57/44/536555744.db2.gz MPWGKYIVTJISAK-OUAUKWLOSA-N 1 0 242.319 0.130 10 0 BCAERO CS[C@@H]1CC[C@@H]1[NH2+]CCn1cncn1 ZINC000425358041 398217513 /nfs/dbraw/zinc/21/75/13/398217513.db2.gz QOZRKVKCVFRTAP-DTWKUNHWSA-N 1 0 212.322 0.762 10 0 BCAERO Cc1cc(NCCC[NH3+])n2ncnc2n1 ZINC000035663734 178160688 /nfs/dbraw/zinc/16/06/88/178160688.db2.gz DOTOHKQFXZVLLB-UHFFFAOYSA-N 1 0 206.253 0.193 10 0 BCAERO CCN(C)C[C@H](O)C[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000381074190 398223172 /nfs/dbraw/zinc/22/31/72/398223172.db2.gz PIAJMDABCUFGRN-UTUOFQBUSA-N 1 0 230.352 0.456 10 0 BCAERO Cc1cc2ncnn2c(OCCC[NH3+])c1 ZINC000051870693 178211345 /nfs/dbraw/zinc/21/13/45/178211345.db2.gz NIRGLZKYQMVHOW-UHFFFAOYSA-N 1 0 206.249 0.765 10 0 BCAERO CC(C)[C@@](C)(O)C[N@@H+]1C[C@@H](O)C[C@H]1C ZINC000306642500 361768268 /nfs/dbraw/zinc/76/82/68/361768268.db2.gz TWWGXUFPWCDCTH-VWYCJHECSA-N 1 0 201.310 0.849 10 0 BCAERO CCCCOC[C@H](O)C[NH2+]C[C@H]1CCC[C@@H]1O ZINC000227893865 259303941 /nfs/dbraw/zinc/30/39/41/259303941.db2.gz RZHFCQGZEYLYGT-UPJWGTAASA-N 1 0 245.363 0.915 10 0 BCAERO Cc1cc([C@H]2CCCN2C(=O)C[NH3+])on1 ZINC000037820273 178265824 /nfs/dbraw/zinc/26/58/24/178265824.db2.gz AOVRUAWFCFSAPC-MRVPVSSYSA-N 1 0 209.249 0.605 10 0 BCAERO Cc1cc2c(N(C)[C@H]3CC[NH2+]C3)nccn2n1 ZINC000129797285 178277713 /nfs/dbraw/zinc/27/77/13/178277713.db2.gz QXLLAZZAXJQAST-JTQLQIEISA-N 1 0 231.303 0.836 10 0 BCAERO COC[C@H](C)NC(=O)[C@H]1[NH2+]CC1(C)C ZINC000379972485 398243506 /nfs/dbraw/zinc/24/35/06/398243506.db2.gz BUQZVSRLVLZKJI-JGVFFNPUSA-N 1 0 200.282 0.136 10 0 BCAERO Cc1cc(C[NH2+][C@@H]2CCCN(CCO)C2)on1 ZINC000395029709 398248196 /nfs/dbraw/zinc/24/81/96/398248196.db2.gz GSOZFSMRSPKRQL-LLVKDONJSA-N 1 0 239.319 0.529 10 0 BCAERO Nc1ccc(C(=O)N2CCC[C@H]([NH3+])C2)cn1 ZINC000390822664 398252606 /nfs/dbraw/zinc/25/26/06/398252606.db2.gz GHQGPTPFCCILCC-VIFPVBQESA-N 1 0 220.276 0.057 10 0 BCAERO CC[C@H](C)[C@H](C[NH2+]C[C@@H]1CN(C)CCO1)OC ZINC000381334979 398252634 /nfs/dbraw/zinc/25/26/34/398252634.db2.gz ADFVABCXKOBHJF-XQQFMLRXSA-N 1 0 244.379 0.968 10 0 BCAERO CO[C@H]1C[C@H](CO)[N@H+](Cc2cncs2)C1 ZINC000343992245 365649662 /nfs/dbraw/zinc/64/96/62/365649662.db2.gz VYOJUNLGJAMATA-BDAKNGLRSA-N 1 0 228.317 0.725 10 0 BCAERO COC(C)(C)[C@@H](C)[NH2+]C1CCN(CCO)CC1 ZINC000645434668 398262024 /nfs/dbraw/zinc/26/20/24/398262024.db2.gz RBGYUPDCOCYSQJ-LLVKDONJSA-N 1 0 244.379 0.846 10 0 BCAERO Cc1ccc(=O)n(CC2CC[NH2+]CC2)n1 ZINC000041630835 178361138 /nfs/dbraw/zinc/36/11/38/178361138.db2.gz DCQUACUIWSRQTO-UHFFFAOYSA-N 1 0 207.277 0.551 10 0 BCAERO C[C@H]1COC[C@H](C2C(=O)CCCC2=O)[NH2+]1 ZINC000230796253 538950996 /nfs/dbraw/zinc/95/09/96/538950996.db2.gz PNEUSCRZCTXTFY-JGVFFNPUSA-N 1 0 211.261 0.302 10 0 BCAERO C[N@H+](CC1(O)CCOCC1)[C@H]1CCC[C@@H]1O ZINC000162113103 349566149 /nfs/dbraw/zinc/56/61/49/349566149.db2.gz PXZUQHPLSWHKGY-QWRGUYRKSA-N 1 0 229.320 0.373 10 0 BCAERO CCOc1cc(N(CC)CC[NH3+])nc(C)n1 ZINC000085484283 488177778 /nfs/dbraw/zinc/17/77/78/488177778.db2.gz IMSBWSAFGUDUIQ-UHFFFAOYSA-N 1 0 224.308 0.969 10 0 BCAERO Cc1ccc(C(=O)N(C)[C@@H]2C[NH2+]C[C@H]2O)s1 ZINC000036261382 178379662 /nfs/dbraw/zinc/37/96/62/178379662.db2.gz IHMNMBAOTUAFPX-RKDXNWHRSA-N 1 0 240.328 0.461 10 0 BCAERO CCC(CC)N(CCO)C(=O)[C@H]1CCC[NH2+]C1 ZINC000042526153 168373967 /nfs/dbraw/zinc/37/39/67/168373967.db2.gz ZLIJIAMZGIIIOV-NSHDSACASA-N 1 0 242.363 0.996 10 0 BCAERO C[NH2+][C@H](C)CNC(=O)c1cccc(N)c1 ZINC000381721446 398270075 /nfs/dbraw/zinc/27/00/75/398270075.db2.gz LWLNLPJFKDBBAC-MRVPVSSYSA-N 1 0 207.277 0.607 10 0 BCAERO COC(=O)c1n[nH]nc1C1CC[NH2+]CC1 ZINC000231930822 538953547 /nfs/dbraw/zinc/95/35/47/538953547.db2.gz HDTHKKFTWQLKPE-UHFFFAOYSA-N 1 0 210.237 0.058 10 0 BCAERO Cc1[nH]nc(C(=O)N2C[C@@H](C)[C@@H]([NH3+])C2)c1C ZINC000335381278 136234714 /nfs/dbraw/zinc/23/47/14/136234714.db2.gz PTFDRIQAZBTSMY-MUWHJKNJSA-N 1 0 222.292 0.446 10 0 BCAERO C[C@@H]1CC(NC(=O)[C@H]2C[C@H](F)C[NH2+]2)C[C@@H](C)O1 ZINC000188991901 346853490 /nfs/dbraw/zinc/85/34/90/346853490.db2.gz POCZMCUBLFRWJW-SDNRWEOFSA-N 1 0 244.310 0.759 10 0 BCAERO CCC(CC)NC(=O)CN1CCC([NH2+]C)CC1 ZINC000049285035 168377605 /nfs/dbraw/zinc/37/76/05/168377605.db2.gz YVJVMROLNRQKCF-UHFFFAOYSA-N 1 0 241.379 0.975 10 0 BCAERO Cc1nc(N2CC([NH3+])C2)ncc1Br ZINC000306645062 361834728 /nfs/dbraw/zinc/83/47/28/361834728.db2.gz FPTOUEOUVHIELX-UHFFFAOYSA-N 1 0 243.108 0.695 10 0 BCAERO Cc1ncc(C(=O)N[C@H]2CCC[NH2+][C@@H]2C)[nH]1 ZINC000335021787 398275309 /nfs/dbraw/zinc/27/53/09/398275309.db2.gz FOUHCBSVUHCPTE-APPZFPTMSA-N 1 0 222.292 0.588 10 0 BCAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)NC1CC1 ZINC000113271209 398275926 /nfs/dbraw/zinc/27/59/26/398275926.db2.gz NSRXIBFGYWEPPK-ZYHUDNBSSA-N 1 0 237.347 0.434 10 0 BCAERO CCC[S@@](=O)N1CC[NH2+]C[C@@H](C)C1 ZINC000306644153 361831564 /nfs/dbraw/zinc/83/15/64/361831564.db2.gz YQVNNFRZYWYQNV-NOZJJQNGSA-N 1 0 204.339 0.601 10 0 BCAERO C[C@H](CNC(=O)OC(C)(C)C)[C@@H]([NH3+])CN ZINC000306651588 361856337 /nfs/dbraw/zinc/85/63/37/361856337.db2.gz GGLZNOJSKKDWLF-SFYZADRCSA-N 1 0 217.313 0.433 10 0 BCAERO Cn1nccc1C[NH2+][C@@H]1CCC[C@H](O)C1 ZINC000037166234 538961605 /nfs/dbraw/zinc/96/16/05/538961605.db2.gz BFUCXWAMCWJTMI-KOLCDFICSA-N 1 0 209.293 0.813 10 0 BCAERO [NH3+][C@@H]1CC[C@H](C(=O)N[C@@H]2CCCOCC2)C1 ZINC000309589477 342715893 /nfs/dbraw/zinc/71/58/93/342715893.db2.gz YHAIHXZROZJMPD-HBNTYKKESA-N 1 0 226.320 0.799 10 0 BCAERO Cc1cccc(CCN2CCO[C@@H](CO)C2)n1 ZINC000399742423 342742301 /nfs/dbraw/zinc/74/23/01/342742301.db2.gz YMRCJICVXSCSPX-CYBMUJFWSA-N 1 0 236.315 0.626 10 0 BCAERO Cc1noc(CC[NH2+][C@@H]2CCCC[C@H]2O)n1 ZINC000231892268 342743407 /nfs/dbraw/zinc/74/34/07/342743407.db2.gz ZGBCWYITAQCFLV-NXEZZACHSA-N 1 0 225.292 0.814 10 0 BCAERO CSCCC(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000602594119 349616432 /nfs/dbraw/zinc/61/64/32/349616432.db2.gz PTTJFPHFJOPZMM-RKDXNWHRSA-N 1 0 216.350 0.793 10 0 BCAERO C[C@H]1CCC[C@@]([NH3+])(C(=O)NCCO)C1 ZINC000070903715 361877709 /nfs/dbraw/zinc/87/77/09/361877709.db2.gz ZOXUWVTWFOVRPN-WPRPVWTQSA-N 1 0 200.282 0.003 10 0 BCAERO F[C@@H]1COCC[C@H]1NC1CC[NH2+]CC1 ZINC000146016718 342764517 /nfs/dbraw/zinc/76/45/17/342764517.db2.gz CQVABQWSZBOBLN-NXEZZACHSA-N 1 0 202.273 0.455 10 0 BCAERO COC(=O)[C@@H](C)NC(=O)C1CCC([NH3+])CC1 ZINC000042317146 342771172 /nfs/dbraw/zinc/77/11/72/342771172.db2.gz GOHJSMYNWYTBQH-AFPNSQJFSA-N 1 0 228.292 0.182 10 0 BCAERO C[C@H]([NH3+])[C@H](C)C(=O)N1CCO[C@H](C)C1 ZINC000248484989 398282159 /nfs/dbraw/zinc/28/21/59/398282159.db2.gz KIGHRWMSEVNWSP-VGMNWLOBSA-N 1 0 200.282 0.217 10 0 BCAERO COC(=O)c1ccc(C[NH2+][C@@H]2C[C@H]2CO)[nH]1 ZINC000309651403 342776167 /nfs/dbraw/zinc/77/61/67/342776167.db2.gz OEAVFXGQAZFJSO-OIBJUYFYSA-N 1 0 224.260 0.272 10 0 BCAERO [NH3+]C[C@@H](F)[C@](O)(C1CC1)C(F)(F)F ZINC000149655656 342793729 /nfs/dbraw/zinc/79/37/29/342793729.db2.gz QSIRDJVWZIYUDC-PHDIDXHHSA-N 1 0 201.163 0.987 10 0 BCAERO CC(C)[C@H](NC(=O)C[C@H]1CCC[NH2+]C1)C(N)=O ZINC000231045226 488180153 /nfs/dbraw/zinc/18/01/53/488180153.db2.gz YPXJKYMRWHAVRW-KOLCDFICSA-N 1 0 241.335 0.002 10 0 BCAERO CCc1nn(C)cc1C[NH2+][C@@H]1C[C@H]1CO ZINC000378730386 538973703 /nfs/dbraw/zinc/97/37/03/538973703.db2.gz WMHFLAUTNYKYCZ-GZMMTYOYSA-N 1 0 209.293 0.453 10 0 BCAERO Cc1nc([C@@H]2NC(=O)CC[C@@H]2[NH3+])cs1 ZINC000126970313 342807716 /nfs/dbraw/zinc/80/77/16/342807716.db2.gz FAJMOPKZMOSKJL-IMTBSYHQSA-N 1 0 211.290 0.730 10 0 BCAERO CCN1C[C@H]([NH2+][C@H](C)CS(C)(=O)=O)[C@@H](C)C1 ZINC000381742777 539006378 /nfs/dbraw/zinc/00/63/78/539006378.db2.gz PGVCXTFDPXABOF-AXFHLTTASA-N 1 0 248.392 0.349 10 0 BCAERO CCS(=O)(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000382468523 539009411 /nfs/dbraw/zinc/00/94/11/539009411.db2.gz AZGOYZBDTXOGRO-JGVFFNPUSA-N 1 0 206.311 0.053 10 0 BCAERO C[C@@H]1OCC[C@H]1[NH2+][C@@H]1CCc2nccn2C1 ZINC000381201012 538996042 /nfs/dbraw/zinc/99/60/42/538996042.db2.gz FINXDGAQCBUJQM-HBNTYKKESA-N 1 0 221.304 0.965 10 0 BCAERO C[C@@H](CC(N)=O)[NH2+][C@H]1CCc2nccn2C1 ZINC000381373908 538999456 /nfs/dbraw/zinc/99/94/56/538999456.db2.gz IIYLZZOZLWLQFA-IUCAKERBSA-N 1 0 222.292 0.051 10 0 BCAERO C[C@H](CC(N)=O)[NH2+][C@@H]1CCc2nccn2C1 ZINC000381373912 538999461 /nfs/dbraw/zinc/99/94/61/538999461.db2.gz IIYLZZOZLWLQFA-RKDXNWHRSA-N 1 0 222.292 0.051 10 0 BCAERO CC[N@H+]1C[C@H](NCc2ncnn2C)[C@@H](C)C1 ZINC000390459319 539022340 /nfs/dbraw/zinc/02/23/40/539022340.db2.gz FDMUEOWLQYSYSE-UWVGGRQHSA-N 1 0 223.324 0.245 10 0 BCAERO COc1cccc(C[NH2+][C@@H]2CCNC2=O)c1 ZINC000390569071 539026538 /nfs/dbraw/zinc/02/65/38/539026538.db2.gz UNBCWZAFJGLUAY-LLVKDONJSA-N 1 0 220.272 0.673 10 0 BCAERO COC[C@@H](C)[NH2+]CC(=O)N1CCC[C@H](C)C1 ZINC000390618194 539026819 /nfs/dbraw/zinc/02/68/19/539026819.db2.gz HOWIWWCKJXFMII-WDEREUQCSA-N 1 0 228.336 0.869 10 0 BCAERO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C1CCOCC1)C2 ZINC000709836514 539027959 /nfs/dbraw/zinc/02/79/59/539027959.db2.gz OGRNKZYZZRROQO-WCQGTBRESA-N 1 0 238.331 0.751 10 0 BCAERO CC(C)c1cnn([C@@H](C)[C@@H]([NH3+])C(N)=O)c1 ZINC000710697897 539028049 /nfs/dbraw/zinc/02/80/49/539028049.db2.gz CFHBTHGPQISTOF-IONNQARKSA-N 1 0 210.281 0.380 10 0 BCAERO CCc1nccn1[C@H](C)[C@H]([NH2+]C)C(N)=O ZINC000710717102 539028263 /nfs/dbraw/zinc/02/82/63/539028263.db2.gz GFIUQXFEVZQYEI-APPZFPTMSA-N 1 0 210.281 0.080 10 0 BCAERO CCC[NH2+][C@@H](C(N)=O)[C@@H](C)n1cccn1 ZINC000710719819 539028308 /nfs/dbraw/zinc/02/83/08/539028308.db2.gz PNFBXUOUIYLVPG-RKDXNWHRSA-N 1 0 210.281 0.298 10 0 BCAERO C[N@@H+]1CCCN(c2ccc(N)cc2CO)CC1 ZINC000144015759 361989137 /nfs/dbraw/zinc/98/91/37/361989137.db2.gz AZXZYOFQQRSPAL-UHFFFAOYSA-N 1 0 235.331 0.903 10 0 BCAERO CCC[C@@H](C[NH3+])[C@@H](O)c1csnn1 ZINC000388214455 539014597 /nfs/dbraw/zinc/01/45/97/539014597.db2.gz WJHIZNLBIZVWCM-POYBYMJQSA-N 1 0 201.295 0.947 10 0 BCAERO C[C@H]1OCC[C@]1([NH2+]C1CCCC1)C(N)=O ZINC000134418889 342841568 /nfs/dbraw/zinc/84/15/68/342841568.db2.gz IYLQVGRUIMKPER-LDYMZIIASA-N 1 0 212.293 0.552 10 0 BCAERO COC(C)(C)CNC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000133464594 398311166 /nfs/dbraw/zinc/31/11/66/398311166.db2.gz AXKMUBDXRRDBAW-RKDXNWHRSA-N 1 0 214.309 0.655 10 0 BCAERO C[NH+](C)[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O ZINC000059773946 342862467 /nfs/dbraw/zinc/86/24/67/342862467.db2.gz VYJCQLFIOYWZQH-DTWKUNHWSA-N 1 0 230.308 0.528 10 0 BCAERO Cc1cc(C[C@H]2CSC[C@H]2[NH3+])n(C)n1 ZINC000134577618 342869853 /nfs/dbraw/zinc/86/98/53/342869853.db2.gz BLRCTEYTBOYNKW-WCBMZHEXSA-N 1 0 211.334 0.961 10 0 BCAERO CCC[C@@H](C[NH2+]C[C@H]1CN(C)CCO1)OC ZINC000382150492 398308064 /nfs/dbraw/zinc/30/80/64/398308064.db2.gz PKTMYGZDBQTOQE-RYUDHWBXSA-N 1 0 230.352 0.722 10 0 BCAERO c1nnsc1CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000308927273 342877099 /nfs/dbraw/zinc/87/70/99/342877099.db2.gz QIOGZKNFTHGLPX-SECBINFHSA-N 1 0 224.333 0.818 10 0 BCAERO CC(C)(C)OC(=O)NCC[NH2+]C[C@H](O)C1CC1 ZINC000134691276 342877525 /nfs/dbraw/zinc/87/75/25/342877525.db2.gz BKDOGCYBQPEZAM-JTQLQIEISA-N 1 0 244.335 0.872 10 0 BCAERO CC(C)[C@@H](O)[C@]([NH3+])(O)c1ccccc1C=O ZINC000309151192 342897714 /nfs/dbraw/zinc/89/77/14/342897714.db2.gz IFVNVAKGPCNPSI-VXGBXAGGSA-N 1 0 223.272 0.620 10 0 BCAERO C[C@@H](C(=O)NC1CCOCC1)[C@H](C)[NH3+] ZINC000165164723 342879203 /nfs/dbraw/zinc/87/92/03/342879203.db2.gz PWACEBJYHKIOBE-SFYZADRCSA-N 1 0 200.282 0.265 10 0 BCAERO CCOc1nc[nH+]c(NN)c1Br ZINC000233797769 342884128 /nfs/dbraw/zinc/88/41/28/342884128.db2.gz GJGMDPXQDOTVSV-UHFFFAOYSA-N 1 0 233.069 0.923 10 0 BCAERO COc1ccc(CN2C[C@H]([NH3+])CC2=O)cc1 ZINC000009280456 342889377 /nfs/dbraw/zinc/88/93/77/342889377.db2.gz WWRVXEJNFMHQHH-SNVBAGLBSA-N 1 0 220.272 0.755 10 0 BCAERO C[S@@](=O)N[C@H]1CC[NH2+]C12CCCC2 ZINC000401690656 342906182 /nfs/dbraw/zinc/90/61/82/342906182.db2.gz ZXZSGZMEUIFZQO-ISVAXAHUSA-N 1 0 202.323 0.544 10 0 BCAERO C[NH2+][C@H](C)C(=O)N[C@@H]1C[C@@H](OC)C1(C)C ZINC000234431672 342925346 /nfs/dbraw/zinc/92/53/46/342925346.db2.gz NSGSPSCGEDGDFA-IWSPIJDZSA-N 1 0 214.309 0.524 10 0 BCAERO C[C@H]1C[NH2+]C/C(=C/CS(C)(=O)=O)C1 ZINC000401739026 342926887 /nfs/dbraw/zinc/92/68/87/342926887.db2.gz QPQHARVPBCSSGU-KLUICZCQSA-N 1 0 203.307 0.587 10 0 BCAERO CC[C@H](CCO)CNC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000234029795 342916934 /nfs/dbraw/zinc/91/69/34/342916934.db2.gz GCLSEROEEWSPSQ-GMTAPVOTSA-N 1 0 228.336 0.367 10 0 BCAERO CCOC(=O)C[C@@H](NC(N)=[NH2+])C(F)(F)F ZINC000575433774 398327704 /nfs/dbraw/zinc/32/77/04/398327704.db2.gz IDZRYFXNWBNZQO-SCSAIBSYSA-N 1 0 227.186 0.354 10 0 BCAERO C[NH2+]CCCC(=O)N[C@@H]1CCC[C@@H](O)C1 ZINC000037477820 398328070 /nfs/dbraw/zinc/32/80/70/398328070.db2.gz NYCJZDQSFFRUJB-NXEZZACHSA-N 1 0 214.309 0.406 10 0 BCAERO COC[C@@H](C)NC(=O)C1CCC([NH3+])CC1 ZINC000037481705 398328314 /nfs/dbraw/zinc/32/83/14/398328314.db2.gz FRKAGBVFZWBTDM-XNWIYYODSA-N 1 0 214.309 0.655 10 0 BCAERO Cn1c(C[NH3+])nnc1S[C@H]1CCOC1 ZINC000070533291 398330421 /nfs/dbraw/zinc/33/04/21/398330421.db2.gz ASCDTCPWHAWGCU-LURJTMIESA-N 1 0 214.294 0.155 10 0 BCAERO CC[C@@H]([NH3+])C(=O)NCC[C@@H]1CCCO1 ZINC000038097050 398335982 /nfs/dbraw/zinc/33/59/82/398335982.db2.gz QZLXOABSXAFXNW-DTWKUNHWSA-N 1 0 200.282 0.409 10 0 BCAERO CC[C@@H]([NH3+])C(=O)NCC[C@H]1CCCO1 ZINC000038097052 398336010 /nfs/dbraw/zinc/33/60/10/398336010.db2.gz QZLXOABSXAFXNW-RKDXNWHRSA-N 1 0 200.282 0.409 10 0 BCAERO CC(C)[C@@H]([NH3+])C(=O)NCC[C@H]1CCCO1 ZINC000038096912 398336023 /nfs/dbraw/zinc/33/60/23/398336023.db2.gz TXXAMQUZURZCSZ-NXEZZACHSA-N 1 0 214.309 0.655 10 0 BCAERO O=C(C[NH2+]CC1CC1)NCC[C@@H]1CCCO1 ZINC000038097096 398336084 /nfs/dbraw/zinc/33/60/84/398336084.db2.gz PZSBXJHVNJIONV-NSHDSACASA-N 1 0 226.320 0.671 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N(C)CC(=O)N1CCCC1 ZINC000037818232 398334635 /nfs/dbraw/zinc/33/46/35/398334635.db2.gz AJHLIAPMGJLXBK-JTQLQIEISA-N 1 0 241.335 0.195 10 0 BCAERO COC[C@H](C)[NH2+]C[C@H](O)COC(C)(C)C ZINC000037847450 398334924 /nfs/dbraw/zinc/33/49/24/398334924.db2.gz BVOQEYCKWOBIEN-UWVGGRQHSA-N 1 0 219.325 0.787 10 0 BCAERO C[C@@H](CO)[NH2+]C[C@H](O)COCc1ccco1 ZINC000037888481 398335097 /nfs/dbraw/zinc/33/50/97/398335097.db2.gz WYTMVDUXAMORJC-UWVGGRQHSA-N 1 0 229.276 0.128 10 0 BCAERO Cc1n[nH]cc1CN1CCO[C@@H](C[NH+](C)C)C1 ZINC000128221366 398339769 /nfs/dbraw/zinc/33/97/69/398339769.db2.gz AJNGCVLBKVLOFM-LBPRGKRZSA-N 1 0 238.335 0.481 10 0 BCAERO C[C@H]([NH3+])CC(=O)NC[C@H]1CCCC[C@H]1O ZINC000251469247 398342204 /nfs/dbraw/zinc/34/22/04/398342204.db2.gz DLUBULFOEDCLEJ-IVZWLZJFSA-N 1 0 214.309 0.391 10 0 BCAERO [NH3+][C@H](CCO)c1ccc2c(c1)OCCO2 ZINC000019784057 342957482 /nfs/dbraw/zinc/95/74/82/342957482.db2.gz GSARZDODCJYUSI-SECBINFHSA-N 1 0 209.245 0.840 10 0 BCAERO Cn1ccnc1CCNc1cc[nH+]cc1C(N)=O ZINC000302128454 187207356 /nfs/dbraw/zinc/20/73/56/187207356.db2.gz BIUOHUWAKBFMSA-UHFFFAOYSA-N 1 0 245.286 0.569 10 0 BCAERO C[C@H]([NH2+][C@@H]1CCS(=O)(=O)C1)C1CC1 ZINC000019899982 342962182 /nfs/dbraw/zinc/96/21/82/342962182.db2.gz HOLURNWCNDNLEP-IONNQARKSA-N 1 0 203.307 0.562 10 0 BCAERO C[C@@H](CNC(=O)[C@@H]1CC[NH2+]C1)c1nccs1 ZINC000235141570 342987980 /nfs/dbraw/zinc/98/79/80/342987980.db2.gz CLXNEUNHBVBXHZ-DTWKUNHWSA-N 1 0 239.344 0.972 10 0 BCAERO Cc1cnn(CCNC(=O)[C@@H](C)[C@@H](C)[NH3+])c1 ZINC000235155497 342988014 /nfs/dbraw/zinc/98/80/14/342988014.db2.gz KFAFXWNYPHMUSG-VHSXEESVSA-N 1 0 224.308 0.291 10 0 BCAERO C[C@@H](CNC(=O)[C@H]1CC[NH2+]C1)c1nccs1 ZINC000235151560 342988069 /nfs/dbraw/zinc/98/80/69/342988069.db2.gz CLXNEUNHBVBXHZ-IUCAKERBSA-N 1 0 239.344 0.972 10 0 BCAERO CC[C@H]1CN(C(=O)[C@H]2CCC[NH2+]C2)CCO1 ZINC000036770039 342988573 /nfs/dbraw/zinc/98/85/73/342988573.db2.gz XLDHTZNODGJRSH-QWRGUYRKSA-N 1 0 226.320 0.623 10 0 BCAERO C[C@@H]1CN(C(=O)C[C@@H]2CCCO2)C[C@@H]1[NH3+] ZINC000235333176 343010460 /nfs/dbraw/zinc/01/04/60/343010460.db2.gz GFLKARGAUWHMBX-UTLUCORTSA-N 1 0 212.293 0.361 10 0 BCAERO Cc1c(C(=O)N2C[C@@H](C)[C@@H]([NH3+])C2)cnn1C ZINC000235322698 343010476 /nfs/dbraw/zinc/01/04/76/343010476.db2.gz RCEXBJDPLNZRJT-XCBNKYQSSA-N 1 0 222.292 0.148 10 0 BCAERO C[C@@H]1CN(C(=O)c2ccc[nH]c2=O)C[C@H]1[NH3+] ZINC000235371509 343011407 /nfs/dbraw/zinc/01/14/07/343011407.db2.gz DLQNUGVBZCLUCA-VXNVDRBHSA-N 1 0 221.260 0.206 10 0 BCAERO CC(C)(C)[C@@H]([NH3+])[C@H]1CCS(=O)(=O)C1 ZINC000043299868 343041123 /nfs/dbraw/zinc/04/11/23/343041123.db2.gz OEMXRTRCNYOFEF-YUMQZZPRSA-N 1 0 205.323 0.795 10 0 BCAERO COC[C@@H](O)CC[NH2+]C[C@@H](O)C(C)(C)C ZINC000308809180 346921545 /nfs/dbraw/zinc/92/15/45/346921545.db2.gz PQEZMHOULHAJRR-VHSXEESVSA-N 1 0 219.325 0.380 10 0 BCAERO C[C@H](O)C1CCN(C(=O)CC[NH2+]C2CC2)CC1 ZINC000235531384 343048097 /nfs/dbraw/zinc/04/80/97/343048097.db2.gz SWZNLIDYCKTFGN-JTQLQIEISA-N 1 0 240.347 0.748 10 0 BCAERO COc1ccc(C[NH2+][C@H]2CCO[C@H]2C)nn1 ZINC000304286142 187224572 /nfs/dbraw/zinc/22/45/72/187224572.db2.gz MZNMHUZRGGHGNZ-WPRPVWTQSA-N 1 0 223.276 0.752 10 0 BCAERO Cc1cnn(CCNC(=O)CCC[NH3+])c1 ZINC000235803126 343064257 /nfs/dbraw/zinc/06/42/57/343064257.db2.gz FRWSEQREJNARCU-UHFFFAOYSA-N 1 0 210.281 0.047 10 0 BCAERO NC(=S)CC[N@@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000043425446 343066936 /nfs/dbraw/zinc/06/69/36/343066936.db2.gz BQFBXWOFXCAFGN-IUCAKERBSA-N 1 0 214.334 0.916 10 0 BCAERO COc1cc([C@H](N)C[NH3+])cc(OC)c1O ZINC000072200809 343069397 /nfs/dbraw/zinc/06/93/97/343069397.db2.gz ZBGPRMDHBSKIDC-SSDOTTSWSA-N 1 0 212.249 0.368 10 0 BCAERO CC[C@H](C(=O)OC)N1CC[C@H]([NH+](C)C)C1 ZINC000602886507 349794405 /nfs/dbraw/zinc/79/44/05/349794405.db2.gz SFCAURQZZOLYJD-VHSXEESVSA-N 1 0 214.309 0.574 10 0 BCAERO O=C(Nc1nccc(Cl)n1)[C@H]1CC[NH2+]1 ZINC000306665556 362022007 /nfs/dbraw/zinc/02/20/07/362022007.db2.gz UDDBJVOCEBYVOI-RXMQYKEDSA-N 1 0 212.640 0.430 10 0 BCAERO CCN(C[C@H](O)C[NH2+]C)C(=O)OC(C)(C)C ZINC000584881018 343081969 /nfs/dbraw/zinc/08/19/69/343081969.db2.gz UWOOZVFXVDRVBH-SECBINFHSA-N 1 0 232.324 0.824 10 0 BCAERO CC(C)(C)OC(=O)N[C@@H]1CCC[NH2+]C[C@H]1O ZINC000144432426 362027726 /nfs/dbraw/zinc/02/77/26/362027726.db2.gz DDZJRXASCNCWIF-RKDXNWHRSA-N 1 0 230.308 0.624 10 0 BCAERO CC[C@]1(C(=O)OC)N[C@@H](C)Cc2nc[nH]c21 ZINC000584883893 343087114 /nfs/dbraw/zinc/08/71/14/343087114.db2.gz WCDWRXFIJGHLPQ-CPCISQLKSA-N 1 0 223.276 0.722 10 0 BCAERO CC[C@]1(C(=O)OC)N[C@H](C)Cc2nc[nH]c21 ZINC000584883894 343087129 /nfs/dbraw/zinc/08/71/29/343087129.db2.gz WCDWRXFIJGHLPQ-HQJQHLMTSA-N 1 0 223.276 0.722 10 0 BCAERO C[C@H]([NH2+]C[C@H]1CNC(=O)O1)[C@H]1CCOC1 ZINC000380095298 343090741 /nfs/dbraw/zinc/09/07/41/343090741.db2.gz KCPWDAUAKFYLMN-CIUDSAMLSA-N 1 0 214.265 0.109 10 0 BCAERO c1c([C@H]2C[NH2+]CCO2)nc2ccccn12 ZINC000082914641 343075130 /nfs/dbraw/zinc/07/51/30/343075130.db2.gz MQODJTKXWKHERS-SNVBAGLBSA-N 1 0 203.245 0.995 10 0 BCAERO CC(C)(O)C[N@@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000119623308 259349208 /nfs/dbraw/zinc/34/92/08/259349208.db2.gz OMPRTWJPYCTXNM-NSHDSACASA-N 1 0 238.335 0.761 10 0 BCAERO CSCCNC(=O)CC[C@H]1CCC[NH2+]1 ZINC000389195999 343075983 /nfs/dbraw/zinc/07/59/83/343075983.db2.gz AQTILGWUCRNOCG-SECBINFHSA-N 1 0 216.350 0.998 10 0 BCAERO CC(C)(C)OC(=O)C[C@@]1(O)CCC[NH2+]C1 ZINC000258874545 343077141 /nfs/dbraw/zinc/07/71/41/343077141.db2.gz MDYKSKLOXLEVGC-NSHDSACASA-N 1 0 215.293 0.833 10 0 BCAERO C[C@H]1OCC[C@H]1[NH2+]CCCN1CCCC1=O ZINC000119891187 343100251 /nfs/dbraw/zinc/10/02/51/343100251.db2.gz XZDOGHRXENQXBM-GHMZBOCLSA-N 1 0 226.320 0.766 10 0 BCAERO C[NH2+][C@H](C)C(=O)NCCOCC(F)(F)F ZINC000082627848 362070739 /nfs/dbraw/zinc/07/07/39/362070739.db2.gz RREDAFQYDCDMSM-ZCFIWIBFSA-N 1 0 228.214 0.289 10 0 BCAERO NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1O ZINC000142509981 343109277 /nfs/dbraw/zinc/10/92/77/343109277.db2.gz SWAHHZAITJEBED-RYUDHWBXSA-N 1 0 234.299 0.355 10 0 BCAERO NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1O ZINC000142509496 343109588 /nfs/dbraw/zinc/10/95/88/343109588.db2.gz SWAHHZAITJEBED-NWDGAFQWSA-N 1 0 234.299 0.355 10 0 BCAERO CC(C)(O)C[NH2+][C@H]1CCN2CCCC[C@H]12 ZINC000049565160 343112547 /nfs/dbraw/zinc/11/25/47/343112547.db2.gz PGNQZHXZLABXEW-WDEREUQCSA-N 1 0 212.337 0.974 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)N1CCC[C@H](C(=O)OC)C1 ZINC000236906644 343115011 /nfs/dbraw/zinc/11/50/11/343115011.db2.gz XZEKTEWTKQKXBK-VHSXEESVSA-N 1 0 242.319 0.525 10 0 BCAERO C[C@H](C(N)=S)[N@@H+]1CCCN(C)CC1 ZINC000043513952 343115659 /nfs/dbraw/zinc/11/56/59/343115659.db2.gz YSIMEVSNEHBLJF-MRVPVSSYSA-N 1 0 201.339 0.299 10 0 BCAERO COC(=O)/C=C/C(=O)OC[C@H](C)[NH+](C)C ZINC000143550871 343125686 /nfs/dbraw/zinc/12/56/86/343125686.db2.gz KSXRKBMKLRCRMC-GJIOHYHPSA-N 1 0 215.249 0.209 10 0 BCAERO CC[C@H](C(N)=S)[N@@H+]1CCO[C@H](C)C1 ZINC000043539381 343131993 /nfs/dbraw/zinc/13/19/93/343131993.db2.gz CAMLQZGFKGIPNH-HTQZYQBOSA-N 1 0 202.323 0.772 10 0 BCAERO Cc1nccn1CC[NH2+][C@@H]1CCC(=O)N[C@H]1C ZINC000282274128 187240579 /nfs/dbraw/zinc/24/05/79/187240579.db2.gz HVDNBWYUBRKAIH-GXSJLCMTSA-N 1 0 236.319 0.448 10 0 BCAERO CN(C)C(=O)c1ccc(N[C@H]2CC[NH2+]C2)nc1 ZINC000095012964 343154629 /nfs/dbraw/zinc/15/46/29/343154629.db2.gz QZCURJAHOURNMK-JTQLQIEISA-N 1 0 234.303 0.557 10 0 BCAERO [NH3+][C@@H]1CCCN(c2ccc3nccnc3n2)C1 ZINC000094726293 343156608 /nfs/dbraw/zinc/15/66/08/343156608.db2.gz JOMQWGZWMLVRNM-SECBINFHSA-N 1 0 229.287 0.952 10 0 BCAERO [NH3+]C[C@@H]1CCCN1c1ccc2nccnc2n1 ZINC000094727031 343157041 /nfs/dbraw/zinc/15/70/41/343157041.db2.gz WUGNCMJGLAHEJY-VIFPVBQESA-N 1 0 229.287 0.952 10 0 BCAERO COc1c(N)ncnc1N1CC[C@@H](CCO)C1 ZINC000125649937 343174044 /nfs/dbraw/zinc/17/40/44/343174044.db2.gz ZLHAKBYFJKCBTD-QMMMGPOBSA-N 1 0 238.291 0.276 10 0 BCAERO C[C@@H]1CC[C@@H](C[NH2+]CC2(O)CCOCC2)O1 ZINC000148814763 343196033 /nfs/dbraw/zinc/19/60/33/343196033.db2.gz HBUWYKDWZIKZKQ-MNOVXSKESA-N 1 0 229.320 0.685 10 0 BCAERO Cc1nn(C)c(C)c1-c1ccnc(NCC[NH3+])n1 ZINC000002538451 187245797 /nfs/dbraw/zinc/24/57/97/187245797.db2.gz FBCMFWXFOLCBDG-UHFFFAOYSA-N 1 0 246.318 0.865 10 0 BCAERO O=C(C[C@H]1CCC[NH2+]C1)NCC(F)F ZINC000147692551 343198287 /nfs/dbraw/zinc/19/82/87/343198287.db2.gz JTPXHYHQYJHGCM-SSDOTTSWSA-N 1 0 206.236 0.757 10 0 BCAERO COC(C)(C)CNC(=O)C[C@H]1CCC[NH2+]C1 ZINC000159160930 343202000 /nfs/dbraw/zinc/20/20/00/343202000.db2.gz YKZVOPAECGZQOS-SNVBAGLBSA-N 1 0 228.336 0.917 10 0 BCAERO CC(C)C[C@H](C[NH2+]C1COC1)N1CCOCC1 ZINC000158707174 259357042 /nfs/dbraw/zinc/35/70/42/259357042.db2.gz XDKSCDSJURGTIE-CYBMUJFWSA-N 1 0 242.363 0.722 10 0 BCAERO Cn1ncc(N[C@H]2CC[NH2+]C2)c(Cl)c1=O ZINC000167901830 343209601 /nfs/dbraw/zinc/20/96/01/343209601.db2.gz VEVITSUXBQZDFS-LURJTMIESA-N 1 0 228.683 0.208 10 0 BCAERO CCC([NH3+])(CC)CNC(=O)c1nnc[nH]1 ZINC000168495162 343210646 /nfs/dbraw/zinc/21/06/46/343210646.db2.gz HGEOJVDNNDVXQN-UHFFFAOYSA-N 1 0 211.269 0.052 10 0 BCAERO C[C@@H]([NH3+])[C@H]1CCN(C(=O)[C@@H]2CCCO2)C1 ZINC000166275701 343212813 /nfs/dbraw/zinc/21/28/13/343212813.db2.gz KYCCFNASJDAROD-UTLUCORTSA-N 1 0 212.293 0.361 10 0 BCAERO COC(=O)CC[N@@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000134156503 343188618 /nfs/dbraw/zinc/18/86/18/343188618.db2.gz DODSWLVIWUIUJY-BDAKNGLRSA-N 1 0 200.282 0.361 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)N[C@@H](C)C(=O)N1CCCC1 ZINC000135194580 343193065 /nfs/dbraw/zinc/19/30/65/343193065.db2.gz ZKHSOHYFJRJUDF-VHSXEESVSA-N 1 0 241.335 0.241 10 0 BCAERO c1nc2c(c(NC[C@@H]3C[NH2+]CCO3)n1)CCC2 ZINC000134266102 343193740 /nfs/dbraw/zinc/19/37/40/343193740.db2.gz GOMMVKPBRIEDLA-VIFPVBQESA-N 1 0 234.303 0.366 10 0 BCAERO CCOC(=O)c1cnc(NCC[NH2+]C)nc1C ZINC000134314787 343194516 /nfs/dbraw/zinc/19/45/16/343194516.db2.gz LKWRNYWTDQSGPH-UHFFFAOYSA-N 1 0 238.291 0.593 10 0 BCAERO Cc1cc(C(=O)NC[C@@H]2CC[NH2+]C2)n(C)n1 ZINC000087654661 136282144 /nfs/dbraw/zinc/28/21/44/136282144.db2.gz OZDCFYWTFXEBCI-SECBINFHSA-N 1 0 222.292 0.068 10 0 BCAERO COC[C@@H]([NH3+])C(=O)NCCC1CCCC1 ZINC000088003174 136282612 /nfs/dbraw/zinc/28/26/12/136282612.db2.gz YYFLHFGWJCZHHN-SNVBAGLBSA-N 1 0 214.309 0.657 10 0 BCAERO CC1(C)C[C@H]([NH2+][C@H]2CCOC[C@@H]2O)CCO1 ZINC000634686247 343233105 /nfs/dbraw/zinc/23/31/05/343233105.db2.gz GNVVSWGMNDLNNL-VWYCJHECSA-N 1 0 229.320 0.683 10 0 BCAERO CN(C[C@H]1CCCO1)C[C@@H]1C[NH2+]CCO1 ZINC000043802663 488208264 /nfs/dbraw/zinc/20/82/64/488208264.db2.gz XZLKAQQXDAOYEH-MNOVXSKESA-N 1 0 214.309 0.086 10 0 BCAERO CC[C@H]1CCCN1C(=O)[C@H]([NH3+])COC ZINC000088003376 136283384 /nfs/dbraw/zinc/28/33/84/136283384.db2.gz HXBBUCBVHUHEJN-DTWKUNHWSA-N 1 0 200.282 0.361 10 0 BCAERO CC[N@@H+]1CCC[C@H]1CNC(=O)n1ccnc1 ZINC000032628611 343238998 /nfs/dbraw/zinc/23/89/98/343238998.db2.gz UZOJRKIEBJHXSL-JTQLQIEISA-N 1 0 222.292 0.925 10 0 BCAERO COCC[NH2+]CCNc1ncc(C)cn1 ZINC000215524309 136277742 /nfs/dbraw/zinc/27/77/42/136277742.db2.gz HUSLTTBNCRUMDC-UHFFFAOYSA-N 1 0 210.281 0.433 10 0 BCAERO CO[C@@H]1CN(C[C@@H]2CC[C@H](C)O2)[C@@](C)(C[NH3+])C1 ZINC000634688464 343247610 /nfs/dbraw/zinc/24/76/10/343247610.db2.gz TVNBTLUWCQSGKE-ZDEQEGDKSA-N 1 0 242.363 0.992 10 0 BCAERO COC(=O)[C@H](C)C[N@H+](C)[C@@H]1CCOC1 ZINC000069624658 343286267 /nfs/dbraw/zinc/28/62/67/343286267.db2.gz YJCGGYFCWXGBHL-RKDXNWHRSA-N 1 0 201.266 0.516 10 0 BCAERO C[C@@H]([NH2+][C@H](C)c1cccs1)C(=O)NC(N)=O ZINC000035138591 343286411 /nfs/dbraw/zinc/28/64/11/343286411.db2.gz QGGWBRUYZIDELV-RNFRBKRXSA-N 1 0 241.316 0.982 10 0 BCAERO CO[C@H]1C[NH2+][C@@H](C(=O)NCc2cccc(C)n2)C1 ZINC000051576790 343258800 /nfs/dbraw/zinc/25/88/00/343258800.db2.gz QSOPJBBICLPVKY-VXGBXAGGSA-N 1 0 249.314 0.383 10 0 BCAERO CC[C@H](NC(=O)C[C@@H]1CCC[NH2+]C1)C(=O)OC ZINC000310087703 343263022 /nfs/dbraw/zinc/26/30/22/343263022.db2.gz BQWPDDBKTSIBIA-UWVGGRQHSA-N 1 0 242.319 0.444 10 0 BCAERO CC(C)N(C)S(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000019475766 187252731 /nfs/dbraw/zinc/25/27/31/187252731.db2.gz IHWXPNHSJFLDGN-SECBINFHSA-N 1 0 220.338 0.408 10 0 BCAERO O=S(=O)(c1ccncc1)C1CC[NH2+]CC1 ZINC000034163387 343265561 /nfs/dbraw/zinc/26/55/61/343265561.db2.gz HXLKGALLZWYKAB-UHFFFAOYSA-N 1 0 226.301 0.607 10 0 BCAERO O=[S@@](c1ccncc1)C1CC[NH2+]CC1 ZINC000034163399 343265676 /nfs/dbraw/zinc/26/56/76/343265676.db2.gz IPEZWCPAHRJTCV-CQSZACIVSA-N 1 0 210.302 0.941 10 0 BCAERO CC(C)N(C)S(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000019475768 187252854 /nfs/dbraw/zinc/25/28/54/187252854.db2.gz IHWXPNHSJFLDGN-VIFPVBQESA-N 1 0 220.338 0.408 10 0 BCAERO C[C@@H]1C[C@H]1[NH2+]Cc1cnc(N(C)C)n1C ZINC000069718046 343290208 /nfs/dbraw/zinc/29/02/08/343290208.db2.gz RAMNUJUPQFTTTN-PSASIEDQSA-N 1 0 208.309 0.984 10 0 BCAERO O[C@@H](C[NH2+][C@@H]1CCCC[C@H]1O)COCC1CC1 ZINC000052014420 343280932 /nfs/dbraw/zinc/28/09/32/343280932.db2.gz STLDHYQPIOIUJI-YNEHKIRRSA-N 1 0 243.347 0.667 10 0 BCAERO C[C@@H]([NH3+])CCC(=O)N1CCOC[C@@H]1C ZINC000069839202 343292289 /nfs/dbraw/zinc/29/22/89/343292289.db2.gz ZFFOVNTYPMRHSP-BDAKNGLRSA-N 1 0 200.282 0.361 10 0 BCAERO CC(=O)N1CCN(C[C@H]([NH3+])c2ccccc2)CC1 ZINC000023071868 187255151 /nfs/dbraw/zinc/25/51/51/187255151.db2.gz YXGBJRGEFXPJGQ-AWEZNQCLSA-N 1 0 247.342 0.851 10 0 BCAERO CC(C)(O)C[N@@H+]1CCCC[C@H]1CCO ZINC000037693771 187253303 /nfs/dbraw/zinc/25/33/03/187253303.db2.gz CNNIVZQMGZHVIT-JTQLQIEISA-N 1 0 201.310 0.994 10 0 BCAERO COC[C@H](C)[NH2+]C[C@@H](C)CS(C)(=O)=O ZINC000308594471 488211456 /nfs/dbraw/zinc/21/14/56/488211456.db2.gz LWUVZHSKHHRHJD-BDAKNGLRSA-N 1 0 223.338 0.292 10 0 BCAERO CC(C)(C)NC(=O)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000036263492 343313463 /nfs/dbraw/zinc/31/34/63/343313463.db2.gz RUVCJMYPWLYFDY-DTWKUNHWSA-N 1 0 211.309 0.788 10 0 BCAERO CCOC(=O)CCC[NH2+][C@@H](C)COC ZINC000070225130 343314796 /nfs/dbraw/zinc/31/47/96/343314796.db2.gz IHGPTMUZRDOBJK-VIFPVBQESA-N 1 0 203.282 0.954 10 0 BCAERO CC(C)(C)[C@@H]([NH3+])C(=O)N[C@@H]1CCOC1 ZINC000157772049 343363625 /nfs/dbraw/zinc/36/36/25/343363625.db2.gz KTMQVDMQURPQKE-SFYZADRCSA-N 1 0 200.282 0.265 10 0 BCAERO COC(C)(C)C[C@@H](C)[NH2+]CC(=O)N(C)C ZINC000037225246 343340272 /nfs/dbraw/zinc/34/02/72/343340272.db2.gz KFGXGRUNCAZPCM-SECBINFHSA-N 1 0 216.325 0.868 10 0 BCAERO c1nn2ccccc2c1CN[C@H]1CC[NH2+]C1 ZINC000335643253 136303320 /nfs/dbraw/zinc/30/33/20/136303320.db2.gz NVLDXHLNTXANHC-NSHDSACASA-N 1 0 216.288 0.786 10 0 BCAERO O=S1(=O)CC[C@H]([NH2+]C(C2CC2)C2CC2)C1 ZINC000037466194 343345929 /nfs/dbraw/zinc/34/59/29/343345929.db2.gz FQYCJQLFDUJCMR-JTQLQIEISA-N 1 0 229.345 0.952 10 0 BCAERO CCOC(=O)CNC(=O)C1CCC([NH3+])CC1 ZINC000037713939 343352185 /nfs/dbraw/zinc/35/21/85/343352185.db2.gz YDDSCHRBJPUWOF-UHFFFAOYSA-N 1 0 228.292 0.183 10 0 BCAERO Cc1cccc(S(=O)(=O)NC2CC([NH3+])C2)c1 ZINC000036265935 187258744 /nfs/dbraw/zinc/25/87/44/187258744.db2.gz QFYDOGWZPOICJL-UHFFFAOYSA-N 1 0 240.328 0.763 10 0 BCAERO CCO[C@H]1CC2(CC[C@@H]1[NH3+])OCCO2 ZINC000023067719 344030646 /nfs/dbraw/zinc/03/06/46/344030646.db2.gz VHSHYKDCGYWYQV-IUCAKERBSA-N 1 0 201.266 0.646 10 0 BCAERO C[C@H]1CN(C(=O)C2([NH3+])CCOCC2)CC[C@@H]1C ZINC000166226802 136314445 /nfs/dbraw/zinc/31/44/45/136314445.db2.gz JGCSSUOJYVIMMO-QWRGUYRKSA-N 1 0 240.347 0.999 10 0 BCAERO CC(=O)N1CC[NH2+]C[C@@H]1c1ccccc1N ZINC000148105456 343389801 /nfs/dbraw/zinc/38/98/01/343389801.db2.gz DMZCUCJTRQYBGK-GFCCVEGCSA-N 1 0 219.288 0.762 10 0 BCAERO COCC[C@H](C)NC(=O)[C@@H]1C[NH2+]C[C@@H]1C ZINC000081712601 343423198 /nfs/dbraw/zinc/42/31/98/343423198.db2.gz YLYDXNROPZULJB-LPEHRKFASA-N 1 0 214.309 0.383 10 0 BCAERO CC(C)(C)OC(=O)N1CCC[C@@H](NC(N)=[NH2+])C1 ZINC000073640703 187261283 /nfs/dbraw/zinc/26/12/83/187261283.db2.gz WIKBXNYURVBXSZ-MRVPVSSYSA-N 1 0 242.323 0.869 10 0 BCAERO CC(C)(C)OC(=O)N1CCCN(C(N)=[NH2+])CC1 ZINC000073640611 187260570 /nfs/dbraw/zinc/26/05/70/187260570.db2.gz VPVFGLJQEFBTSV-UHFFFAOYSA-N 1 0 242.323 0.823 10 0 BCAERO C[C@H]([NH3+])C(=O)N1CC(F)(F)C(F)(F)C1 ZINC000038867336 343407966 /nfs/dbraw/zinc/40/79/66/343407966.db2.gz VLHCODZJFPRYCX-BYPYZUCNSA-N 1 0 214.162 0.446 10 0 BCAERO COC(=O)[C@@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000082419284 343440712 /nfs/dbraw/zinc/44/07/12/343440712.db2.gz DJUQGIFHOVSPSS-MRVPVSSYSA-N 1 0 201.266 0.252 10 0 BCAERO CO[C@H](C)CCC(=O)N1C[C@H](C)[C@H]([NH3+])C1 ZINC000300049275 259360537 /nfs/dbraw/zinc/36/05/37/259360537.db2.gz REHPSWLRMMQSLN-IVZWLZJFSA-N 1 0 214.309 0.607 10 0 BCAERO Cc1ncsc1CNC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000335684782 136329836 /nfs/dbraw/zinc/32/98/36/136329836.db2.gz RSHUNGPXBRCUGW-JGVFFNPUSA-N 1 0 243.307 0.768 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)N(CC)CCOCC ZINC000082538356 343449784 /nfs/dbraw/zinc/44/97/84/343449784.db2.gz LSLBMCXKDUBWNX-SNVBAGLBSA-N 1 0 216.325 0.999 10 0 BCAERO CC(C)CNC(=O)CN1CCC[C@H]1C[NH3+] ZINC000082595369 343450775 /nfs/dbraw/zinc/45/07/75/343450775.db2.gz MGFNQPOJZCSSRS-JTQLQIEISA-N 1 0 213.325 0.182 10 0 BCAERO C/C=C\CS(=O)(=O)N1CCC[NH2+]CC1 ZINC000308920125 346940699 /nfs/dbraw/zinc/94/06/99/346940699.db2.gz IMZOCJQZAVAERL-IHWYPQMZSA-N 1 0 218.322 0.188 10 0 BCAERO CCOCCC(=O)N1CCC[C@@H]1C[NH3+] ZINC000082590136 343454078 /nfs/dbraw/zinc/45/40/78/343454078.db2.gz GGAKYVZWLSYJNR-SECBINFHSA-N 1 0 200.282 0.363 10 0 BCAERO C[C@H]1C[C@H]1CNC(=O)C1(C[NH3+])CCOCC1 ZINC000166851990 136364133 /nfs/dbraw/zinc/36/41/33/136364133.db2.gz WMJUFYIXZOZRJZ-UWVGGRQHSA-N 1 0 226.320 0.514 10 0 BCAERO Cc1cnccc1Cn1cc(C[NH3+])nn1 ZINC000641143431 362236410 /nfs/dbraw/zinc/23/64/10/362236410.db2.gz PQNWZNOQUBQXIQ-UHFFFAOYSA-N 1 0 203.249 0.489 10 0 BCAERO CCOC(=O)N1CCO[C@@H](CC[NH3+])C1 ZINC000219944378 343444285 /nfs/dbraw/zinc/44/42/85/343444285.db2.gz XNINUMJPOJRHSN-QMMMGPOBSA-N 1 0 202.254 0.193 10 0 BCAERO [NH3+][C@@H](C(=O)N[C@@H]1CCCOC1)C1CCC1 ZINC000335654666 136376223 /nfs/dbraw/zinc/37/62/23/136376223.db2.gz YKRFDYKCNPKQNA-NXEZZACHSA-N 1 0 212.293 0.409 10 0 BCAERO Cc1cnc(N2C[C@H](C)[NH2+]C[C@@H]2C)nc1 ZINC000083118998 343473553 /nfs/dbraw/zinc/47/35/53/343473553.db2.gz WOJPFNJIPNVCMQ-UWVGGRQHSA-N 1 0 206.293 0.972 10 0 BCAERO COC1CC[NH+]([C@@H](C)C(N)=S)CC1 ZINC000043514033 343476445 /nfs/dbraw/zinc/47/64/45/343476445.db2.gz VRSWEXLHWDUNMC-ZETCQYMHSA-N 1 0 202.323 0.772 10 0 BCAERO C[C@H](C[NH3+])CNc1ccnc(C(N)=O)c1 ZINC000083402336 343480825 /nfs/dbraw/zinc/48/08/25/343480825.db2.gz YZNHLNKOQJTFBC-SSDOTTSWSA-N 1 0 208.265 0.187 10 0 BCAERO CC(C)C[C@H](CO)[NH2+]C[C@@H](O)C(F)(F)F ZINC000082680906 343460304 /nfs/dbraw/zinc/46/03/04/343460304.db2.gz GSJIIHVYQFWXNT-HTQZYQBOSA-N 1 0 229.242 0.906 10 0 BCAERO OCCc1ccccc1[C@@H]1COCC[NH2+]1 ZINC000616641853 343529312 /nfs/dbraw/zinc/52/93/12/343529312.db2.gz OSDZVXVYGGAIQY-LBPRGKRZSA-N 1 0 207.273 0.882 10 0 BCAERO C[NH2+][C@H]1CSC[C@@H]1Cc1cn(C)nn1 ZINC000234469181 343531103 /nfs/dbraw/zinc/53/11/03/343531103.db2.gz NXLWCFLFASQULD-CBAPKCEASA-N 1 0 212.322 0.309 10 0 BCAERO [NH3+]CCN1CCC=C(Br)C1 ZINC000404541305 343553903 /nfs/dbraw/zinc/55/39/03/343553903.db2.gz JTFBUFUGMSGENK-UHFFFAOYSA-N 1 0 205.099 0.930 10 0 BCAERO COc1cc(N)ccc1N[C@H]1C[NH2+]C[C@H]1O ZINC000204076664 343557159 /nfs/dbraw/zinc/55/71/59/343557159.db2.gz DMNXNLJQDBPYAP-VHSXEESVSA-N 1 0 223.276 0.022 10 0 BCAERO CN1CCC([NH2+][C@@H]2CCC[C@@H](O)C2)CC1 ZINC000037164633 537789086 /nfs/dbraw/zinc/78/90/86/537789086.db2.gz CZBABMNSVJVMCO-VXGBXAGGSA-N 1 0 212.337 0.974 10 0 BCAERO CC(C)N(CCCO)c1cc(C(N)=[NH2+])ccn1 ZINC000042507753 187265987 /nfs/dbraw/zinc/26/59/87/187265987.db2.gz KUDBUTGABNUDDT-UHFFFAOYSA-N 1 0 236.319 0.963 10 0 BCAERO CNc1nc[nH+]c(NN)c1Br ZINC000234528534 343581893 /nfs/dbraw/zinc/58/18/93/343581893.db2.gz MZGBZOMUQLOBMB-UHFFFAOYSA-N 1 0 218.058 0.566 10 0 BCAERO CNC(=O)c1cccc(NC(=O)[C@@H](C)[NH2+]C)c1 ZINC000052395621 343599871 /nfs/dbraw/zinc/59/98/71/343599871.db2.gz XURQKRDPUCUPKR-MRVPVSSYSA-N 1 0 235.287 0.593 10 0 BCAERO CNC(=O)c1ccc(NC(=O)[C@@H](C)[NH2+]C)cc1 ZINC000052395615 343600088 /nfs/dbraw/zinc/60/00/88/343600088.db2.gz NWKAFQJZWVWEHR-MRVPVSSYSA-N 1 0 235.287 0.593 10 0 BCAERO CC(C)(C)[C@H](CN)[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000043291503 187267465 /nfs/dbraw/zinc/26/74/65/187267465.db2.gz QAMYISLNOWZMLC-UWVGGRQHSA-N 1 0 227.352 0.557 10 0 BCAERO C[C@H]1CN(C(=O)[C@@H]2C[NH2+]C[C@H]2C)C[C@H]1C ZINC000086014269 343610246 /nfs/dbraw/zinc/61/02/46/343610246.db2.gz CKKXFJYKANTUST-CHWFTXMASA-N 1 0 210.321 0.956 10 0 BCAERO COCCC(=O)NC[C@H]1CC[C@@H]([NH3+])C1 ZINC000227577383 537794201 /nfs/dbraw/zinc/79/42/01/537794201.db2.gz DWOXZZZJGOLVSK-DTWKUNHWSA-N 1 0 200.282 0.267 10 0 BCAERO COC(OC)[C@H]1CC[NH+]=C2N[C@H](C)CN21 ZINC000300014616 537802246 /nfs/dbraw/zinc/80/22/46/537802246.db2.gz AZXNRDUCHMIHLF-HTQZYQBOSA-N 1 0 213.281 0.027 10 0 BCAERO CC(C)(C[NH3+])C(=O)N1CCC(CO)CC1 ZINC000044751560 187268303 /nfs/dbraw/zinc/26/83/03/187268303.db2.gz JVKFDBZNNFPCIC-UHFFFAOYSA-N 1 0 214.309 0.202 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N(CC1CC1)C(C)C ZINC000088003863 343690035 /nfs/dbraw/zinc/69/00/35/343690035.db2.gz LCFGFKTZEIAPEE-SNVBAGLBSA-N 1 0 214.309 0.607 10 0 BCAERO OC[C@@H]1C[N@H+](CC[C@H]2CCCO2)CCO1 ZINC000088094157 343704931 /nfs/dbraw/zinc/70/49/31/343704931.db2.gz UFZHLZYDYLNNAR-MNOVXSKESA-N 1 0 215.293 0.249 10 0 BCAERO COC[C@H]([NH3+])C(=O)NC1C(C)(C)C1(C)C ZINC000088004967 343688370 /nfs/dbraw/zinc/68/83/70/343688370.db2.gz ZGYGEWYCNJZAKI-ZETCQYMHSA-N 1 0 214.309 0.511 10 0 BCAERO COC[C@@H]([NH3+])C(=O)NC1C(C)(C)C1(C)C ZINC000088004966 343688444 /nfs/dbraw/zinc/68/84/44/343688444.db2.gz ZGYGEWYCNJZAKI-SSDOTTSWSA-N 1 0 214.309 0.511 10 0 BCAERO COC[C@@H]([NH3+])C(=O)Nc1ccc(F)cc1 ZINC000088002369 343689690 /nfs/dbraw/zinc/68/96/90/343689690.db2.gz OYXSVBMBNZYWPJ-SECBINFHSA-N 1 0 212.224 0.738 10 0 BCAERO COC[C@@H]1CCCN(C(=O)[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000261542264 349849809 /nfs/dbraw/zinc/84/98/09/349849809.db2.gz OKMAZHMBNVIYRJ-UTUOFQBUSA-N 1 0 240.347 0.999 10 0 BCAERO CC(C)[C@H]([NH3+])C(=O)NC1(CO)CCCCC1 ZINC000053127122 187271249 /nfs/dbraw/zinc/27/12/49/187271249.db2.gz GPLHWOISAISAIR-JTQLQIEISA-N 1 0 228.336 0.781 10 0 BCAERO Nc1cc(Cl)ccc1C(=O)NCC[NH3+] ZINC000062823208 343745275 /nfs/dbraw/zinc/74/52/75/343745275.db2.gz XPTWQIMNRCNZRB-UHFFFAOYSA-N 1 0 213.668 0.611 10 0 BCAERO C[C@@H]1CCN(S(=O)(=O)C2CC2)[C@H]1C[NH3+] ZINC000299909822 349859108 /nfs/dbraw/zinc/85/91/08/349859108.db2.gz KZFFSGNJWBNTJR-APPZFPTMSA-N 1 0 218.322 0.148 10 0 BCAERO CCOCC(=O)N1C[C@@H](C)[C@@H]([NH+](C)C)C1 ZINC000089710129 343748532 /nfs/dbraw/zinc/74/85/32/343748532.db2.gz NDNUOUBHFMROHX-ZJUUUORDSA-N 1 0 214.309 0.431 10 0 BCAERO CO[C@@H]1C[C@@H](CO)[N@H+](CC[C@H]2CCOC2)C1 ZINC000344056110 343756895 /nfs/dbraw/zinc/75/68/95/343756895.db2.gz IFEIKUREVGXXQP-SDDRHHMPSA-N 1 0 229.320 0.495 10 0 BCAERO CCc1nc(CN2C[C@@H](O)C[C@@H]2CO)cs1 ZINC000179184063 346976258 /nfs/dbraw/zinc/97/62/58/346976258.db2.gz RATVZNLIPWZGKJ-ZJUUUORDSA-N 1 0 242.344 0.633 10 0 BCAERO c1cnc(N2CC[C@H]3[NH2+]CC[C@H]3C2)cn1 ZINC000253182953 343796064 /nfs/dbraw/zinc/79/60/64/343796064.db2.gz JKWBOTHPAFWJIV-VHSXEESVSA-N 1 0 204.277 0.665 10 0 BCAERO [NH3+][C@H]1CCC2(C[C@H]1n1ccnc1)OCCO2 ZINC000023072028 344039136 /nfs/dbraw/zinc/03/91/36/344039136.db2.gz WTWHZOQWAJDPKO-VHSXEESVSA-N 1 0 223.276 0.679 10 0 BCAERO C[C@H]1C[C@@H](O)C[N@H+](CCOC2CCOCC2)C1 ZINC000625463308 343866824 /nfs/dbraw/zinc/86/68/24/343866824.db2.gz ANYOGSYQYSHTEF-NWDGAFQWSA-N 1 0 243.347 0.885 10 0 BCAERO Cc1nc([C@H]2OC[C@@H](C[NH3+])O2)cs1 ZINC000127171281 343886086 /nfs/dbraw/zinc/88/60/86/343886086.db2.gz RWHGKYPYMBNJPE-SVRRBLITSA-N 1 0 200.263 0.824 10 0 BCAERO CC(C)(C[NH3+])CN1CCS(=O)CC1 ZINC000051252230 347005696 /nfs/dbraw/zinc/00/56/96/347005696.db2.gz RBDRXPJWRMTIAP-UHFFFAOYSA-N 1 0 204.339 0.036 10 0 BCAERO Cn1ncc(Br)c1[C@](C)(O)C(N)=[NH2+] ZINC000075856333 187278419 /nfs/dbraw/zinc/27/84/19/187278419.db2.gz IOCZXANQZYVQMK-ZETCQYMHSA-N 1 0 247.096 0.326 10 0 BCAERO NC(=O)C[C@@H]([NH3+])c1cncc(Br)c1 ZINC000135131330 343941331 /nfs/dbraw/zinc/94/13/31/343941331.db2.gz QRHHYCIPGBXSNQ-SSDOTTSWSA-N 1 0 244.092 0.719 10 0 BCAERO CC[C@@H](O)C[N@@H+]1CCN(CCOC)[C@H](CC)C1 ZINC000106386525 347015468 /nfs/dbraw/zinc/01/54/68/347015468.db2.gz ISERSLIZGHARBP-CHWSQXEVSA-N 1 0 244.379 0.800 10 0 BCAERO [NH3+][C@H]1CCCN(C(=O)[C@@H]2CCSC2)C1 ZINC000069986568 343946249 /nfs/dbraw/zinc/94/62/49/343946249.db2.gz NJTHMENPYCMEHY-BDAKNGLRSA-N 1 0 214.334 0.689 10 0 BCAERO C[C@@H]1CN(C(=O)CC[C@H]2CCOC2)C[C@H]1[NH3+] ZINC000401563562 347016789 /nfs/dbraw/zinc/01/67/89/347016789.db2.gz ORNVHZUJHGNRAN-OUAUKWLOSA-N 1 0 226.320 0.609 10 0 BCAERO C[C@@H]1CN(C(=O)CC[C@H]2CCOC2)C[C@@H]1[NH3+] ZINC000401563566 347017161 /nfs/dbraw/zinc/01/71/61/347017161.db2.gz ORNVHZUJHGNRAN-VWYCJHECSA-N 1 0 226.320 0.609 10 0 BCAERO CN(C)c1nccc(N(C)CCC[NH3+])n1 ZINC000082924190 362269230 /nfs/dbraw/zinc/26/92/30/362269230.db2.gz DKQZTIWDOLJSBI-UHFFFAOYSA-N 1 0 209.297 0.328 10 0 BCAERO C[C@@H](O)CNC(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000070502749 343951894 /nfs/dbraw/zinc/95/18/94/343951894.db2.gz FMKONZZTEJTSQB-VGMNWLOBSA-N 1 0 200.282 0.001 10 0 BCAERO CC1(C)CC[C@@H]([NH3+])[C@@H](S(C)(=O)=O)C1 ZINC000070623303 343953494 /nfs/dbraw/zinc/95/34/94/343953494.db2.gz INVDPEGLGIFOCU-SFYZADRCSA-N 1 0 205.323 0.937 10 0 BCAERO NC(=S)[C@H]1CCC[N@@H+]1[C@@H]1CCOC1 ZINC000070661962 343953629 /nfs/dbraw/zinc/95/36/29/343953629.db2.gz UVJBMMDPTFRXFT-HTQZYQBOSA-N 1 0 200.307 0.526 10 0 BCAERO CC(C)([NH3+])c1cn(CC2(O)CCC2)nn1 ZINC000641217760 362277858 /nfs/dbraw/zinc/27/78/58/362277858.db2.gz UWEDDPFSNIXQCN-UHFFFAOYSA-N 1 0 210.281 0.387 10 0 BCAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)COC ZINC000092677452 343960781 /nfs/dbraw/zinc/96/07/81/343960781.db2.gz SQHPMHOCRPERGP-SNVBAGLBSA-N 1 0 214.309 0.576 10 0 BCAERO Cn1cnc(CC[NH2+]C[C@@H](O)C(C)(C)C)c1 ZINC000313261158 343965716 /nfs/dbraw/zinc/96/57/16/343965716.db2.gz IQZASTSOEXHEDJ-LLVKDONJSA-N 1 0 225.336 0.959 10 0 BCAERO CC(C)(CO)CNC(=O)c1ccc(C[NH3+])cc1 ZINC000082697906 187282429 /nfs/dbraw/zinc/28/24/29/187282429.db2.gz ZGDIPENGHSGMFG-UHFFFAOYSA-N 1 0 236.315 0.894 10 0 BCAERO C[N@H+](C[C@@H]1CNC(=O)O1)[C@H](CO)C(C)(C)C ZINC000496295061 529957603 /nfs/dbraw/zinc/95/76/03/529957603.db2.gz NTVVTISDQQUWLF-DTWKUNHWSA-N 1 0 230.308 0.434 10 0 BCAERO CC(=O)CC(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000157903690 344100334 /nfs/dbraw/zinc/10/03/34/344100334.db2.gz NBZVXCHWAGPGQG-PSASIEDQSA-N 1 0 212.293 0.564 10 0 BCAERO C(OCC1CC1)c1nnn2c1CNCC2 ZINC000096084265 187288892 /nfs/dbraw/zinc/28/88/92/187288892.db2.gz TULOPZCSOBQHAN-UHFFFAOYSA-N 1 0 208.265 0.308 10 0 BCAERO C[NH+](C)CC(=O)N[C@@H]1CCCCC[C@H]1O ZINC000130851771 344225290 /nfs/dbraw/zinc/22/52/90/344225290.db2.gz XCOXNLHAGCIKDS-NXEZZACHSA-N 1 0 214.309 0.358 10 0 BCAERO COC[C@@H]([NH3+])C(=O)NC1Cc2ccccc2C1 ZINC000300447427 347037362 /nfs/dbraw/zinc/03/73/62/347037362.db2.gz KQQANBPCXHOMCR-GFCCVEGCSA-N 1 0 234.299 0.244 10 0 BCAERO CCC[NH2+][C@@H](C)c1cn(CC(=O)OCC)nn1 ZINC000616571418 344180868 /nfs/dbraw/zinc/18/08/68/344180868.db2.gz XBBWBXPJVKNAPS-VIFPVBQESA-N 1 0 240.307 0.902 10 0 BCAERO CC[C@@H]1CCCC[C@H]1[NH2+]C(CO)CO ZINC000083691389 344181369 /nfs/dbraw/zinc/18/13/69/344181369.db2.gz MBKDPFWDEKGFCY-MWLCHTKSSA-N 1 0 201.310 0.898 10 0 BCAERO COCC(=O)N[C@@H](C)c1cccc(C[NH3+])c1 ZINC000616572448 344183853 /nfs/dbraw/zinc/18/38/53/344183853.db2.gz MVWJOJHYFUCCDP-VIFPVBQESA-N 1 0 222.288 0.969 10 0 BCAERO COCC[C@@H](C)NC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634748760 344185198 /nfs/dbraw/zinc/18/51/98/344185198.db2.gz PRKMQDCEYAWSIH-MDZLAQPJSA-N 1 0 240.347 0.917 10 0 BCAERO CN1CC[NH+](C[C@@H]2CCCCC2=O)CC1 ZINC000060719883 344198141 /nfs/dbraw/zinc/19/81/41/344198141.db2.gz IZSHOVBXFMVZIH-NSHDSACASA-N 1 0 210.321 0.993 10 0 BCAERO CCC[C@H](O)CNC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634751230 344201404 /nfs/dbraw/zinc/20/14/04/344201404.db2.gz NBIOCYSSZPDXPL-GVXVVHGQSA-N 1 0 240.347 0.653 10 0 BCAERO O=C([C@@H]1CC[NH2+]C1)N1CCO[C@@H](C(F)F)CC1 ZINC000634752912 344205460 /nfs/dbraw/zinc/20/54/60/344205460.db2.gz VBFJRHKVHLZZPL-RKDXNWHRSA-N 1 0 248.273 0.479 10 0 BCAERO O=C(Nc1ccncc1)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634762600 344263266 /nfs/dbraw/zinc/26/32/66/344263266.db2.gz BONIKNNFYPCMNO-GWCFXTLKSA-N 1 0 231.299 0.832 10 0 BCAERO COC[C@@H]([NH3+])C(=O)NC[C@H]1CC2CCC1CC2 ZINC000400066820 344271434 /nfs/dbraw/zinc/27/14/34/344271434.db2.gz JKRJGPIUVMKWJM-KIDURHIOSA-N 1 0 240.347 0.903 10 0 BCAERO COC[C@@H]([NH3+])C(=O)NC[C@@H]1CC2CCC1CC2 ZINC000400066822 344271590 /nfs/dbraw/zinc/27/15/90/344271590.db2.gz JKRJGPIUVMKWJM-MMVSWEMESA-N 1 0 240.347 0.903 10 0 BCAERO CC(C(=O)Nc1nncs1)=C1C[NH2+]C1 ZINC000135441979 344275173 /nfs/dbraw/zinc/27/51/73/344275173.db2.gz UUZQDJKJKRIMFU-UHFFFAOYSA-N 1 0 210.262 0.396 10 0 BCAERO C[C@@H](NC(=O)[C@]12CCC[C@H]1C[NH2+]C2)c1cn[nH]c1 ZINC000634771383 344285711 /nfs/dbraw/zinc/28/57/11/344285711.db2.gz SNRDMIBARVJMQE-CDMKHQONSA-N 1 0 248.330 0.977 10 0 BCAERO C[C@@]1(C(=O)N2C[C@@H]3COC[C@@H]3C2)CCCC[NH2+]1 ZINC000634774394 344292696 /nfs/dbraw/zinc/29/26/96/344292696.db2.gz PJWYCIHGGSLFIQ-LOWVWBTDSA-N 1 0 238.331 0.623 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)N1C[C@@H]2COC[C@@H]2C1 ZINC000634774363 344292917 /nfs/dbraw/zinc/29/29/17/344292917.db2.gz OLIMXCKCIPZSHX-KXUCPTDWSA-N 1 0 212.293 0.219 10 0 BCAERO [NH3+]Cc1ccnc(OC2COC2)c1Cl ZINC000236188593 344313188 /nfs/dbraw/zinc/31/31/88/344313188.db2.gz KXFRGUHMBGAIMJ-UHFFFAOYSA-N 1 0 214.652 0.971 10 0 BCAERO C[C@H]1C[C@H]([NH3+])CN1c1ncnc2c1cnn2C ZINC000385066647 344314314 /nfs/dbraw/zinc/31/43/14/344314314.db2.gz CBWQKRFKFKUIGB-YUMQZZPRSA-N 1 0 232.291 0.289 10 0 BCAERO [NH3+]C[C@@H](O)c1scnc1Br ZINC000236206125 344318165 /nfs/dbraw/zinc/31/81/65/344318165.db2.gz FYNCWQKWSQFJOV-GSVOUGTGSA-N 1 0 223.095 0.898 10 0 BCAERO CCOC(=O)C[C@H](O)C[NH2+][C@H](C)[C@H]1CCCO1 ZINC000300018318 344365290 /nfs/dbraw/zinc/36/52/90/344365290.db2.gz FKNDDROBPQUZJE-OUAUKWLOSA-N 1 0 245.319 0.458 10 0 BCAERO COC(=O)CCCCN1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000600712045 344361670 /nfs/dbraw/zinc/36/16/70/344361670.db2.gz VTLOKGPCIOYTFI-WDEREUQCSA-N 1 0 242.319 0.002 10 0 BCAERO Cn1nnc(Br)c1[C@@H]1CC[C@@H]1[NH3+] ZINC000236124857 344299899 /nfs/dbraw/zinc/29/98/99/344299899.db2.gz ZAZFBFSWISIGKO-UHNVWZDZSA-N 1 0 231.097 0.782 10 0 BCAERO C[C@@H]1C[C@@H]([NH3+])CN1c1ncnc2nc[nH]c21 ZINC000385199965 344371310 /nfs/dbraw/zinc/37/13/10/344371310.db2.gz QUCHEUXBYPERPP-RNFRBKRXSA-N 1 0 218.264 0.279 10 0 BCAERO C[C@H]1C[C@@H]([NH3+])CN1c1ncnc2nc[nH]c21 ZINC000385199964 344371441 /nfs/dbraw/zinc/37/14/41/344371441.db2.gz QUCHEUXBYPERPP-NKWVEPMBSA-N 1 0 218.264 0.279 10 0 BCAERO COc1cc(N2C[C@@H]([NH3+])C[C@H]2C)ncn1 ZINC000385213412 344377344 /nfs/dbraw/zinc/37/73/44/344377344.db2.gz YEDHTDVSFWKABW-SFYZADRCSA-N 1 0 208.265 0.411 10 0 BCAERO C[C@@H]1CN(C(=O)CC[C@@H]2CCCO2)C[C@H]1[NH3+] ZINC000300049384 344380513 /nfs/dbraw/zinc/38/05/13/344380513.db2.gz RJTMMUYFNRZPPR-OUAUKWLOSA-N 1 0 226.320 0.751 10 0 BCAERO CCOc1cc(N2C[C@H]([NH3+])C[C@H]2C)ncn1 ZINC000385282589 344387094 /nfs/dbraw/zinc/38/70/94/344387094.db2.gz WCJWPXODBXNLQG-RKDXNWHRSA-N 1 0 222.292 0.801 10 0 BCAERO COC(=O)c1ccc(N2C[C@@H](C)[C@H]([NH3+])C2)nc1C ZINC000300090465 344388704 /nfs/dbraw/zinc/38/87/04/344388704.db2.gz QXIVBGYAAHYSKC-LDYMZIIASA-N 1 0 249.314 0.960 10 0 BCAERO CC(C)N1CC[NH+]([C@@H](C)[C@H](C)O)CC1 ZINC000044132907 344399820 /nfs/dbraw/zinc/39/98/20/344399820.db2.gz BXVGNFRLZGOHGD-QWRGUYRKSA-N 1 0 200.326 0.782 10 0 BCAERO COC(=O)[C@@H]1CCC[N@H+](C[C@H]2CNC(=O)C2)C1 ZINC000400176914 344411182 /nfs/dbraw/zinc/41/11/82/344411182.db2.gz POXYHJFQYSDAIG-NXEZZACHSA-N 1 0 240.303 0.008 10 0 BCAERO C[C@@H](CC(N)=O)NC1=[NH+]C[C@@H](C)CS1 ZINC000220576009 344554090 /nfs/dbraw/zinc/55/40/90/344554090.db2.gz JPXOJJUKWVDQJN-RQJHMYQMSA-N 1 0 215.322 0.579 10 0 BCAERO CC(C)[N@H+](C)[C@@H]1CC[C@@]([NH3+])(C(=O)[O-])C1 ZINC000225820676 344558344 /nfs/dbraw/zinc/55/83/44/344558344.db2.gz VPYXNJTUSMNXPW-SCZZXKLOSA-N 1 0 200.282 0.661 10 0 BCAERO COC(=O)[C@@H]1CCCCN1C(=O)C[C@@H](C)[NH3+] ZINC000037804419 344589552 /nfs/dbraw/zinc/58/95/52/344589552.db2.gz GTHAOAJVZXPGTP-BDAKNGLRSA-N 1 0 228.292 0.278 10 0 BCAERO C[C@@H]1CN[C@H](C(=O)N(C)CC2CCCC2)C[NH2+]1 ZINC000104346653 187292177 /nfs/dbraw/zinc/29/21/77/187292177.db2.gz FXQVUTHHZJWOAP-PWSUYJOCSA-N 1 0 239.363 0.585 10 0 BCAERO C[C@@H]([NH3+])CC(=O)N[C@@H]1CCCSC1 ZINC000158507647 344669008 /nfs/dbraw/zinc/66/90/08/344669008.db2.gz YIJGTIXXIALSDB-HTQZYQBOSA-N 1 0 202.323 0.736 10 0 BCAERO C[C@@H]([NH3+])CCNC(=O)CC[C@H]1CCCO1 ZINC000083524519 133526694 /nfs/dbraw/zinc/52/66/94/133526694.db2.gz UFNXTLKBPQSOND-NXEZZACHSA-N 1 0 214.309 0.799 10 0 BCAERO OC[C@H]1CCC[N@@H+]1C[C@@H]1CCOCO1 ZINC000050115923 344643237 /nfs/dbraw/zinc/64/32/37/344643237.db2.gz DOQFZLXXKTULDE-ZJUUUORDSA-N 1 0 201.266 0.206 10 0 BCAERO C[C@@H](C[NH3+])C(=O)N(CCO)Cc1ccccc1 ZINC000050515680 344703941 /nfs/dbraw/zinc/70/39/41/344703941.db2.gz RKKBHORKGITCMJ-NSHDSACASA-N 1 0 236.315 0.602 10 0 BCAERO CS[C@@H]1CC[C@@H](N2C[C@@H]([NH3+])C2=O)C1 ZINC000235045105 344749866 /nfs/dbraw/zinc/74/98/66/344749866.db2.gz AUEXYPIGULSHAY-BWZBUEFSSA-N 1 0 200.307 0.440 10 0 BCAERO OC1(C[NH+]2CCN(CCCF)CC2)CCC1 ZINC000626070068 344714901 /nfs/dbraw/zinc/71/49/01/344714901.db2.gz YBTPLZWVZXJTCE-UHFFFAOYSA-N 1 0 230.327 0.879 10 0 BCAERO Cc1ccnc(N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)n1 ZINC000153117443 344754125 /nfs/dbraw/zinc/75/41/25/344754125.db2.gz XTACKNIWIQGXJM-GHMZBOCLSA-N 1 0 234.303 0.304 10 0 BCAERO C[C@@H]([NH2+][C@@H](C)CNC(=O)OC(C)(C)C)C(N)=O ZINC000235107850 344787348 /nfs/dbraw/zinc/78/73/48/344787348.db2.gz SFRVUMVIVQXCJG-JGVFFNPUSA-N 1 0 245.323 0.363 10 0 BCAERO CC(C)(C[NH3+])C(=O)NC1CCC(O)CC1 ZINC000044751066 187292644 /nfs/dbraw/zinc/29/26/44/187292644.db2.gz USVKTEPWQIXBQB-UHFFFAOYSA-N 1 0 214.309 0.391 10 0 BCAERO CC(C)(C[NH3+])C(=O)N1CCCC[C@@H]1CO ZINC000044751882 187293286 /nfs/dbraw/zinc/29/32/86/187293286.db2.gz HAMUAKXVJYGWDC-SECBINFHSA-N 1 0 214.309 0.345 10 0 BCAERO C[NH2+][C@H](C(N)=O)[C@H](C)n1cc(C)nc1C ZINC000715107910 537862909 /nfs/dbraw/zinc/86/29/09/537862909.db2.gz NDYTWFARFRNRBJ-CBAPKCEASA-N 1 0 210.281 0.134 10 0 BCAERO C[C@@H]([NH3+])C(=O)Nc1nccc(Cl)n1 ZINC000235159955 344825261 /nfs/dbraw/zinc/82/52/61/344825261.db2.gz UVHQPZDKQMDFBM-SCSAIBSYSA-N 1 0 200.629 0.416 10 0 BCAERO C[NH2+][C@@H](C(N)=O)[C@H](C)n1cc(C)nc1C ZINC000715107911 537863670 /nfs/dbraw/zinc/86/36/70/537863670.db2.gz NDYTWFARFRNRBJ-IONNQARKSA-N 1 0 210.281 0.134 10 0 BCAERO C[C@@H]([NH3+])Cc1c(Br)nnn1C ZINC000235162726 344831929 /nfs/dbraw/zinc/83/19/29/344831929.db2.gz BJHWTARVAFRAEW-SCSAIBSYSA-N 1 0 219.086 0.467 10 0 BCAERO CC(C)[C@@H]([NH3+])C(=O)Nc1cnns1 ZINC000166297273 344846240 /nfs/dbraw/zinc/84/62/40/344846240.db2.gz BXIMAUIGRMHCBB-ZCFIWIBFSA-N 1 0 200.267 0.460 10 0 BCAERO CC[C@@H]([NH3+])CC(=O)Nc1cnns1 ZINC000166301481 344846767 /nfs/dbraw/zinc/84/67/67/344846767.db2.gz RROSTAQBMIJIBC-RXMQYKEDSA-N 1 0 200.267 0.604 10 0 BCAERO C[C@H]1[NH2+]CC[C@H]1C(=O)Nc1cnns1 ZINC000166306772 344851658 /nfs/dbraw/zinc/85/16/58/344851658.db2.gz QEIQGLUJWAGOLF-PHDIDXHHSA-N 1 0 212.278 0.475 10 0 BCAERO C[C@@]1(C(=O)Nc2cnns2)CC[NH2+]C1 ZINC000166308779 344851904 /nfs/dbraw/zinc/85/19/04/344851904.db2.gz JZRUQWHELRKIJV-MRVPVSSYSA-N 1 0 212.278 0.476 10 0 BCAERO [NH3+][C@H](CC(=O)Nc1cnns1)C1CC1 ZINC000166310751 344851918 /nfs/dbraw/zinc/85/19/18/344851918.db2.gz BOQONEBSRLWBMS-ZCFIWIBFSA-N 1 0 212.278 0.604 10 0 BCAERO CS[C@@H]1CCC[C@H]1N1C[C@@H]([NH3+])C1=O ZINC000235235420 344852806 /nfs/dbraw/zinc/85/28/06/344852806.db2.gz FSSLDELZSVOXIN-BWZBUEFSSA-N 1 0 200.307 0.440 10 0 BCAERO CC(C)NC(=O)C[N@H+](C)[C@@H]1CCC[C@@H]1O ZINC000078480120 344873744 /nfs/dbraw/zinc/87/37/44/344873744.db2.gz NURPZZLGVYDWDS-ZJUUUORDSA-N 1 0 214.309 0.356 10 0 BCAERO C[C@H]([NH3+])C(=O)Nc1cc(Cl)ncn1 ZINC000235503229 344927352 /nfs/dbraw/zinc/92/73/52/344927352.db2.gz IMMIFHAMTPARFA-BYPYZUCNSA-N 1 0 200.629 0.416 10 0 BCAERO Cc1c(Cl)cnn1CC[C@H]([NH3+])C(N)=O ZINC000070704610 537880018 /nfs/dbraw/zinc/88/00/18/537880018.db2.gz YTGGAAMUUMXWIQ-ZETCQYMHSA-N 1 0 216.672 0.048 10 0 BCAERO C[NH2+][C@](C)(Cn1cc(Cl)c(C)n1)C(N)=O ZINC000070704301 537880398 /nfs/dbraw/zinc/88/03/98/537880398.db2.gz BNILTHYZMUQVHH-SECBINFHSA-N 1 0 230.699 0.308 10 0 BCAERO C[C@H]1OCC[C@@H]1CNC(=O)C(C)(C)[NH3+] ZINC000235626838 344958798 /nfs/dbraw/zinc/95/87/98/344958798.db2.gz NJEXKUHMXOHUDN-HTQZYQBOSA-N 1 0 200.282 0.265 10 0 BCAERO CC(C)[C@H](NC(=O)CCCCCC[NH3+])C(N)=O ZINC000226337067 187297438 /nfs/dbraw/zinc/29/74/38/187297438.db2.gz HSSGEIGSGLFXFO-NSHDSACASA-N 1 0 243.351 0.522 10 0 BCAERO C[C@H]1SCC[C@]1([NH2+]C1CC1)C(N)=O ZINC000235671959 345008794 /nfs/dbraw/zinc/00/87/94/345008794.db2.gz ZNOVFYPRSJZOQU-HZGVNTEJSA-N 1 0 200.307 0.488 10 0 BCAERO CN1C(=O)C[C@H](C[NH3+])[C@H]1c1cccnc1 ZINC000238303056 345015334 /nfs/dbraw/zinc/01/53/34/345015334.db2.gz ZEMJKHDUMSCSIO-MWLCHTKSSA-N 1 0 205.261 0.560 10 0 BCAERO CCN1CCO[C@H](CNC(=O)NC(C)C)C1 ZINC000123946612 345023555 /nfs/dbraw/zinc/02/35/55/345023555.db2.gz UPAORELCFWRBDA-SNVBAGLBSA-N 1 0 229.324 0.415 10 0 BCAERO COC(=O)[C@H](N)Cc1cccc(F)c1OC ZINC000044339071 345027486 /nfs/dbraw/zinc/02/74/86/345027486.db2.gz QBHZBDOKCFYLKK-SECBINFHSA-N 1 0 227.235 0.877 10 0 BCAERO C[C@H](O)C1CCN(C(=O)C[C@H]2CCC[NH2+]2)CC1 ZINC000155202642 345072933 /nfs/dbraw/zinc/07/29/33/345072933.db2.gz BLMKCJZBNACEBR-CMPLNLGQSA-N 1 0 240.347 0.748 10 0 BCAERO CC(=O)CCN1CCO[C@H](C[NH+](C)C)C1 ZINC000155301978 345076636 /nfs/dbraw/zinc/07/66/36/345076636.db2.gz SSJHKFBHOZUIJX-LLVKDONJSA-N 1 0 214.309 0.228 10 0 BCAERO C[C@@H]1CN(C[C@@H]([NH3+])C2CC2)S(=O)(=O)C1 ZINC000224969802 345056343 /nfs/dbraw/zinc/05/63/43/345056343.db2.gz SNXHRCGLIPMCBQ-VXNVDRBHSA-N 1 0 218.322 0.005 10 0 BCAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)[C@@H]2CCOC2)C1 ZINC000155573468 345091278 /nfs/dbraw/zinc/09/12/78/345091278.db2.gz FRRBKDBBEOTBMI-UTUOFQBUSA-N 1 0 240.347 0.868 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](C)CC ZINC000156059476 345122666 /nfs/dbraw/zinc/12/26/66/345122666.db2.gz VMAWAWFCLOAAOD-GUBZILKMSA-N 1 0 243.351 0.533 10 0 BCAERO C[NH+]1CCC(CNC(=O)n2ccnc2)CC1 ZINC000044526584 345110036 /nfs/dbraw/zinc/11/00/36/345110036.db2.gz BEWIFTQJWSAUDJ-UHFFFAOYSA-N 1 0 222.292 0.783 10 0 BCAERO CCCc1cnn(C[C@](C)([NH3+])C(N)=O)c1 ZINC000402063946 537889961 /nfs/dbraw/zinc/88/99/61/537889961.db2.gz HOSYIUCMBPYYIT-JTQLQIEISA-N 1 0 210.281 0.038 10 0 BCAERO C[C@@H]1C[C@H]1[NH2+][C@@H]1CCCS(=O)(=O)CC1 ZINC000634959314 345132885 /nfs/dbraw/zinc/13/28/85/345132885.db2.gz NJSZYMLRCMXEHC-OPRDCNLKSA-N 1 0 217.334 0.952 10 0 BCAERO C[C@@H]1C[C@H]1[NH2+][C@H]1CCCS(=O)(=O)CC1 ZINC000634959313 345133099 /nfs/dbraw/zinc/13/30/99/345133099.db2.gz NJSZYMLRCMXEHC-KXUCPTDWSA-N 1 0 217.334 0.952 10 0 BCAERO CCCc1cnn(CC[C@@H]([NH3+])C(N)=O)c1 ZINC000402070798 537890114 /nfs/dbraw/zinc/89/01/14/537890114.db2.gz PGJLBYKMECXPGP-SECBINFHSA-N 1 0 210.281 0.038 10 0 BCAERO Cc1ccc([C@@H]2C[NH2+]C[C@@H]2C(N)=O)cc1 ZINC000225376630 345145079 /nfs/dbraw/zinc/14/50/79/345145079.db2.gz QTRQQERASCLNJT-QWRGUYRKSA-N 1 0 204.273 0.783 10 0 BCAERO CC(C)c1cnn(CC[C@@H]([NH3+])C(N)=O)c1 ZINC000402122006 537890375 /nfs/dbraw/zinc/89/03/75/537890375.db2.gz LIPJGWXJBPWFEO-SECBINFHSA-N 1 0 210.281 0.209 10 0 BCAERO C[C@H]([NH3+])C(=O)NCC1(C)CCOCC1 ZINC000225556478 345157760 /nfs/dbraw/zinc/15/77/60/345157760.db2.gz KLMGNCOXZYNEDU-QMMMGPOBSA-N 1 0 200.282 0.267 10 0 BCAERO C[NH2+]CCn1nc(C)c2ccccc2c1=O ZINC000139865165 345242156 /nfs/dbraw/zinc/24/21/56/345242156.db2.gz QCXKKZWMDKCEQR-UHFFFAOYSA-N 1 0 217.272 0.924 10 0 BCAERO CCn1ccnc1CN1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000634999636 345200352 /nfs/dbraw/zinc/20/03/52/345200352.db2.gz XDTJANJRDZSARJ-QWRGUYRKSA-N 1 0 222.336 0.930 10 0 BCAERO CCc1cnn(CC[C@@](C)([NH3+])C(N)=O)c1 ZINC000402036797 537890795 /nfs/dbraw/zinc/89/07/95/537890795.db2.gz ZLWLLIHIAJFVIM-SNVBAGLBSA-N 1 0 210.281 0.038 10 0 BCAERO CCn1ccnc1CN1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000634999635 345200687 /nfs/dbraw/zinc/20/06/87/345200687.db2.gz XDTJANJRDZSARJ-MNOVXSKESA-N 1 0 222.336 0.930 10 0 BCAERO Cc1c[nH]nc1CN1C[C@H](C)[C@H](C[NH3+])C1 ZINC000634999719 345200736 /nfs/dbraw/zinc/20/07/36/345200736.db2.gz YHNKYDXKAGQLTG-VHSXEESVSA-N 1 0 208.309 0.745 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)NCCC(=O)NC(C)C ZINC000158295620 345314759 /nfs/dbraw/zinc/31/47/59/345314759.db2.gz PSQLCIIONUVEOS-SECBINFHSA-N 1 0 229.324 0.145 10 0 BCAERO Cn1c(Cl)ncc1C1=C[C@H]([NH3+])CNC1 ZINC000675077710 537895129 /nfs/dbraw/zinc/89/51/29/537895129.db2.gz HNWPFNPTPYUJPO-ZETCQYMHSA-N 1 0 212.684 0.387 10 0 BCAERO COC(=O)C(=O)N(C1CCC1)C1CC[NH2+]CC1 ZINC000675054429 537894588 /nfs/dbraw/zinc/89/45/88/537894588.db2.gz GWKHRECGINKBDL-UHFFFAOYSA-N 1 0 240.303 0.293 10 0 BCAERO CC(C)CNC(=O)N1C[C@@H]2[C@@H](C[NH3+])[C@@H]2C1 ZINC000675054261 537893232 /nfs/dbraw/zinc/89/32/32/537893232.db2.gz PFPHQSGAOYDVIZ-OWUUHHOZSA-N 1 0 211.309 0.489 10 0 BCAERO COc1ccncc1C1=C[C@@H]([NH3+])CNC1 ZINC000675077236 537893667 /nfs/dbraw/zinc/89/36/67/537893667.db2.gz BIDKDCHTSQYHMF-SECBINFHSA-N 1 0 205.261 0.404 10 0 BCAERO CCC(=O)N1CC(OC2CC[NH2+]CC2)C1 ZINC000675054448 537895325 /nfs/dbraw/zinc/89/53/25/537895325.db2.gz HFHRAWVJWPGEEN-UHFFFAOYSA-N 1 0 212.293 0.376 10 0 BCAERO CC(C)n1ncnc1C1=C[C@@H](O)C[NH2+]C1 ZINC000675077938 537895342 /nfs/dbraw/zinc/89/53/42/537895342.db2.gz UEEPSWZZIIMVGW-SECBINFHSA-N 1 0 208.265 0.207 10 0 BCAERO C[C@@]1(C(=O)NCc2cc[nH]n2)CCCC[NH2+]1 ZINC000159571643 345443909 /nfs/dbraw/zinc/44/39/09/345443909.db2.gz CIWYQAOXKKCJMY-NSHDSACASA-N 1 0 222.292 0.558 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N(Cc1ccncc1)C1CC1 ZINC000159720966 345504352 /nfs/dbraw/zinc/50/43/52/345504352.db2.gz REKNOUVQPNVVDU-GFCCVEGCSA-N 1 0 249.314 0.546 10 0 BCAERO COC[C@H]([NH3+])C(=O)N(C)[C@H](C)c1ccncc1 ZINC000159764683 345521879 /nfs/dbraw/zinc/52/18/79/345521879.db2.gz ZBAJGCCYIDMBEZ-KOLCDFICSA-N 1 0 237.303 0.575 10 0 BCAERO Nc1cc(C[N@@H+]2CC[C@@H](CCO)C2)ccn1 ZINC000159778301 345528070 /nfs/dbraw/zinc/52/80/70/345528070.db2.gz ZHJKNVHCAMTPBF-JTQLQIEISA-N 1 0 221.304 0.868 10 0 BCAERO COC[C@@H](O)C[NH2+][C@H](CC(C)C)CN(C)C ZINC000068891866 349930619 /nfs/dbraw/zinc/93/06/19/349930619.db2.gz UCDORFYHBDFMMT-NEPJUHHUSA-N 1 0 232.368 0.560 10 0 BCAERO O=C(CC1CC1)N1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC000403980252 323092164 /nfs/dbraw/zinc/09/21/64/323092164.db2.gz ATBQKYJMMWTVRU-MNOVXSKESA-N 1 0 224.304 0.376 10 0 BCAERO COC[C@H]([NH3+])C(=O)NCCc1cccc(C)c1 ZINC000159887071 345586611 /nfs/dbraw/zinc/58/66/11/345586611.db2.gz CZFQMSWYBTYHOM-LBPRGKRZSA-N 1 0 236.315 0.627 10 0 BCAERO CC(C)COCC[NH2+][C@H]1CCC(=O)N[C@@H]1C ZINC000309319190 187308483 /nfs/dbraw/zinc/30/84/83/187308483.db2.gz DSQHFWVZGWIPSY-MNOVXSKESA-N 1 0 228.336 0.916 10 0 BCAERO O=C(N1CCC[C@@H]2C[NH2+]C[C@@H]21)C(F)(F)F ZINC000221536744 345738043 /nfs/dbraw/zinc/73/80/43/345738043.db2.gz ILGYKQRBTNALQS-RQJHMYQMSA-N 1 0 222.210 0.759 10 0 BCAERO C[NH2+][C@@H]1C[C@@H](OC)[C@@H](OC)C[C@H]1N1CCCC1 ZINC000034343886 345822923 /nfs/dbraw/zinc/82/29/23/345822923.db2.gz YLZZGMAWIUYAFK-LPWJVIDDSA-N 1 0 242.363 0.863 10 0 BCAERO [NH3+]C[C@H](n1ccc(=O)cc1)C(F)(F)F ZINC000061627648 345761528 /nfs/dbraw/zinc/76/15/28/345761528.db2.gz NXCURPWLYQHLMX-ZETCQYMHSA-N 1 0 206.167 0.910 10 0 BCAERO O=C(C[NH2+][C@H]1CC[C@H](O)CC1)c1cnccn1 ZINC000257350898 345773005 /nfs/dbraw/zinc/77/30/05/345773005.db2.gz AURBIRHFGGDEHY-MGCOHNPYSA-N 1 0 235.287 0.552 10 0 BCAERO c1nnc2sc(C[C@H]3CC[NH2+]C3)nn12 ZINC000163893211 345781095 /nfs/dbraw/zinc/78/10/95/345781095.db2.gz IUWOQUAGQARXKQ-ZCFIWIBFSA-N 1 0 209.278 0.338 10 0 BCAERO C[C@@H]1C[C@H](C)[C@H](C)[N@H+](C[C@H](N)C(N)=O)C1 ZINC000166768769 345785124 /nfs/dbraw/zinc/78/51/24/345785124.db2.gz VOFKIGGBFHALLK-KATARQTJSA-N 1 0 213.325 0.165 10 0 BCAERO OC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1F ZINC000184007982 187310028 /nfs/dbraw/zinc/31/00/28/187310028.db2.gz WDAUKWAJPUJZDF-GHMZBOCLSA-N 1 0 225.263 0.753 10 0 BCAERO CCCCS(=O)(=O)N1CC[C@H]([NH3+])[C@H]1C ZINC000335915606 345850121 /nfs/dbraw/zinc/85/01/21/345850121.db2.gz LQLIQPOKMYTAFP-BDAKNGLRSA-N 1 0 220.338 0.538 10 0 BCAERO COCc1cc(C(=O)N2CCC[C@H]([NH3+])C2)no1 ZINC000090254221 187360107 /nfs/dbraw/zinc/36/01/07/187360107.db2.gz NLYMLGFQGALTCJ-QMMMGPOBSA-N 1 0 239.275 0.384 10 0 BCAERO C[NH2+]CC[C@]1(O)C(=O)Nc2ccccc21 ZINC000034590396 345834623 /nfs/dbraw/zinc/83/46/23/345834623.db2.gz ZCPFUYXRGAKFRP-LLVKDONJSA-N 1 0 206.245 0.436 10 0 BCAERO C[N@@H+]1CC[C@H](C(=O)NC[C@@H](O)C(C)(C)C)C1 ZINC000324628447 537918976 /nfs/dbraw/zinc/91/89/76/537918976.db2.gz SBEWLKDRXVXACE-VHSXEESVSA-N 1 0 228.336 0.461 10 0 BCAERO CCS(=O)(=O)[C@@H]1CCCC[C@H]1C[NH3+] ZINC000082790011 537922366 /nfs/dbraw/zinc/92/23/66/537922366.db2.gz FPFRFDPHNUEWIF-DTWKUNHWSA-N 1 0 205.323 0.939 10 0 BCAERO C[C@@H]([NH3+])CCNC(=O)CCOCC(F)(F)F ZINC000178665412 345915474 /nfs/dbraw/zinc/91/54/74/345915474.db2.gz XTSOQFQTMUYKFY-SSDOTTSWSA-N 1 0 242.241 0.809 10 0 BCAERO C[C@H](C[NH3+])CN1C(=O)CCSC1=O ZINC000166871896 345924549 /nfs/dbraw/zinc/92/45/49/345924549.db2.gz DIUDJEFRPYPHAX-ZCFIWIBFSA-N 1 0 202.279 0.667 10 0 BCAERO CCOC(=O)C[C@H](O)CN1C[C@@H](C)O[C@H](C)C1 ZINC000166930778 345956230 /nfs/dbraw/zinc/95/62/30/345956230.db2.gz OWUSJVCSHFRQKY-MXWKQRLJSA-N 1 0 245.319 0.410 10 0 BCAERO CC(=O)CC(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]12 ZINC000226816026 345972070 /nfs/dbraw/zinc/97/20/70/345972070.db2.gz KUWZZPWPBPGHGE-UWVGGRQHSA-N 1 0 210.277 0.318 10 0 BCAERO CN(C)c1ccncc1C[NH2+][C@@H]1C[C@H]1CO ZINC000381468881 345990010 /nfs/dbraw/zinc/99/00/10/345990010.db2.gz NMXUIAJMCTVUEZ-GXSJLCMTSA-N 1 0 221.304 0.618 10 0 BCAERO C[C@H]([NH3+])C(=O)N1CC[C@@]2(CC[C@H](CO)C2)C1 ZINC000095088888 346024080 /nfs/dbraw/zinc/02/40/80/346024080.db2.gz BXHQOVKMJVASON-JBLDHEPKSA-N 1 0 226.320 0.345 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCC(CCO)CC1 ZINC000401012123 346032361 /nfs/dbraw/zinc/03/23/61/346032361.db2.gz HJXWDRIUWSQUKZ-ZYHUDNBSSA-N 1 0 240.347 0.463 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)N1CCC(CCO)CC1 ZINC000401058436 346081656 /nfs/dbraw/zinc/08/16/56/346081656.db2.gz INNPRBYPLJVEBM-LLVKDONJSA-N 1 0 228.336 0.735 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N1CCC(CCO)CC1 ZINC000401058440 346081854 /nfs/dbraw/zinc/08/18/54/346081854.db2.gz INNPRBYPLJVEBM-NSHDSACASA-N 1 0 228.336 0.735 10 0 BCAERO C[C@H]1C[NH2+]CCN1Cc1nn(C)cc1C=O ZINC000675054574 537947051 /nfs/dbraw/zinc/94/70/51/537947051.db2.gz RPDOSHGAMGEWEK-VIFPVBQESA-N 1 0 222.292 0.026 10 0 BCAERO CC(C)(CO)[NH2+]C[C@H](O)COc1ccccc1 ZINC000006364133 346151695 /nfs/dbraw/zinc/15/16/95/346151695.db2.gz PHXMHSNTEYHUIO-NSHDSACASA-N 1 0 239.315 0.787 10 0 BCAERO Cc1cccc(-n2nnnc2C[NH3+])c1C ZINC000054744434 179001756 /nfs/dbraw/zinc/00/17/56/179001756.db2.gz XBFDLCPAAIOJAX-UHFFFAOYSA-N 1 0 203.249 0.738 10 0 BCAERO C[C@H](C[N@@H+]1CCCOCC1)C(N)=S ZINC000061918573 346180054 /nfs/dbraw/zinc/18/00/54/346180054.db2.gz GYMUVLBLWWDJST-MRVPVSSYSA-N 1 0 202.323 0.631 10 0 BCAERO Cn1cc(C[C@H]([NH3+])[C@@H]2CCSC2)nn1 ZINC000236127908 346193852 /nfs/dbraw/zinc/19/38/52/346193852.db2.gz IUHFGPKXCKGGNL-APPZFPTMSA-N 1 0 212.322 0.438 10 0 BCAERO Cn1nnc(Br)c1[C@@](C)(F)C[NH3+] ZINC000236125152 346194095 /nfs/dbraw/zinc/19/40/95/346194095.db2.gz CZNSNZDSDUGHSJ-LURJTMIESA-N 1 0 237.076 0.721 10 0 BCAERO Nc1nccnc1SC[C@@H]1CCC[NH2+]1 ZINC000236353969 346230930 /nfs/dbraw/zinc/23/09/30/346230930.db2.gz LKLPOSNMVNIXTP-ZETCQYMHSA-N 1 0 210.306 0.903 10 0 BCAERO Nc1nccnc1SC1CC[NH2+]CC1 ZINC000236351146 346231027 /nfs/dbraw/zinc/23/10/27/346231027.db2.gz AETRJEDGGGCTEQ-UHFFFAOYSA-N 1 0 210.306 0.903 10 0 BCAERO COC[C@@H](C)C(=O)N1[C@H](C)C[N@@H+](C)C[C@@H]1C ZINC000245899905 537957204 /nfs/dbraw/zinc/95/72/04/537957204.db2.gz KYJVFFLLAORFNE-MXWKQRLJSA-N 1 0 228.336 0.820 10 0 BCAERO C[NH2+][C@@H]1CCN(S(N)(=O)=O)c2ccccc21 ZINC000167379983 346242227 /nfs/dbraw/zinc/24/22/27/346242227.db2.gz FHJLWMSURICMGA-SECBINFHSA-N 1 0 241.316 0.361 10 0 BCAERO Cc1cccc(C(=O)NCCOCC[NH3+])c1O ZINC000104316684 179016774 /nfs/dbraw/zinc/01/67/74/179016774.db2.gz XBADQWCJVZWWEX-UHFFFAOYSA-N 1 0 238.287 0.406 10 0 BCAERO Cc1cccc(C(=O)NCC[NH+](C)C)c1N ZINC000021957339 179015885 /nfs/dbraw/zinc/01/58/85/179015885.db2.gz KJIQBXZZMHZQCB-UHFFFAOYSA-N 1 0 221.304 0.869 10 0 BCAERO CC(C)Cn1cnnc1[C@H]1C[NH2+]CCO1 ZINC000054526294 187318670 /nfs/dbraw/zinc/31/86/70/187318670.db2.gz KMGKJQUYLXVYLI-SECBINFHSA-N 1 0 210.281 0.595 10 0 BCAERO CC(C)[C@@H](CO)NC(=O)[C@H]1CCC[NH2+][C@@H]1C ZINC000395314671 537964577 /nfs/dbraw/zinc/96/45/77/537964577.db2.gz XWPAPXDVUDCXQQ-OUAUKWLOSA-N 1 0 228.336 0.508 10 0 BCAERO C[C@H](C[NH3+])[C@@H](O)c1cnn(C)c1Cl ZINC000669378035 537967156 /nfs/dbraw/zinc/96/71/56/537967156.db2.gz RDKDFOMSJWJARL-IYSWYEEDSA-N 1 0 203.673 0.702 10 0 BCAERO [NH3+]CC1([C@]2(O)CCCC3(C2)OCCO3)CC1 ZINC000669378110 537965732 /nfs/dbraw/zinc/96/57/32/537965732.db2.gz XSRXJAKYCIZHDQ-NSHDSACASA-N 1 0 227.304 0.774 10 0 BCAERO CCCS(=O)(=O)NC1CC(C[NH3+])C1 ZINC000308567153 537965901 /nfs/dbraw/zinc/96/59/01/537965901.db2.gz IHKKWXHEXKFBOV-UHFFFAOYSA-N 1 0 206.311 0.053 10 0 BCAERO OCC[NH2+]Cc1cccc(Br)n1 ZINC000083357754 187319403 /nfs/dbraw/zinc/31/94/03/187319403.db2.gz WHRRGBJEWOBXLF-UHFFFAOYSA-N 1 0 231.093 0.926 10 0 BCAERO C[NH+](C)C[C@](C)(O)CNC(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000300695697 346319789 /nfs/dbraw/zinc/31/97/89/346319789.db2.gz PPPHYIMWTZGXIH-LSCVPOLPSA-N 1 0 240.347 0.461 10 0 BCAERO CC[NH+](CC)C[C@@H]1C[NH2+]C[C@@H](C(=O)[O-])C1 ZINC000669378585 537968767 /nfs/dbraw/zinc/96/87/67/537968767.db2.gz HZPPVQUQZJSADJ-UWVGGRQHSA-N 1 0 214.309 0.639 10 0 BCAERO COCCC(=O)N[C@H]1C[NH2+]CC1(C)C ZINC000669378505 537970236 /nfs/dbraw/zinc/97/02/36/537970236.db2.gz IUJCRWFNEVZUIK-QMMMGPOBSA-N 1 0 200.282 0.137 10 0 BCAERO Cn1cc(C[N@@H+]2CC[C@@H](CCO)C2)cn1 ZINC000161577454 346337318 /nfs/dbraw/zinc/33/73/18/346337318.db2.gz NTODJZCBAJPDRX-JTQLQIEISA-N 1 0 209.293 0.624 10 0 BCAERO CS(=O)(=O)CCC[N@@H+]1CC[C@@H](CCO)C1 ZINC000161600684 346341352 /nfs/dbraw/zinc/34/13/52/346341352.db2.gz GRANHDSGCFULCT-JTQLQIEISA-N 1 0 235.349 0.125 10 0 BCAERO Cc1cccc(CC[NH2+][C@H]2COC[C@@H]2O)c1 ZINC000051669708 179060016 /nfs/dbraw/zinc/06/00/16/179060016.db2.gz FAXGQEFCFDMHSR-STQMWFEESA-N 1 0 221.300 0.887 10 0 BCAERO CNC(=O)CC[N@@H+]1CCC[C@H]1CCCO ZINC000052762662 346373849 /nfs/dbraw/zinc/37/38/49/346373849.db2.gz KIFYMIVIBUMIJL-JTQLQIEISA-N 1 0 214.309 0.359 10 0 BCAERO CC[N@@H+]1CCC[C@@H]1CN(C)[C@H]1CCNC1=O ZINC000245681557 323121888 /nfs/dbraw/zinc/12/18/88/323121888.db2.gz KVRZGYDMFMJWRO-MNOVXSKESA-N 1 0 225.336 0.291 10 0 BCAERO C[N@H+](C[C@@H]1C[NH2+]C[C@H](C(=O)[O-])C1)C1CC1 ZINC000669378743 537973166 /nfs/dbraw/zinc/97/31/66/537973166.db2.gz KWBJUSQRKZHMFP-DTWKUNHWSA-N 1 0 212.293 0.391 10 0 BCAERO C[C@@H]1CN(C(=O)[C@@H]2CCOC2)C[C@H]1CC[NH3+] ZINC000669379150 537975652 /nfs/dbraw/zinc/97/56/52/537975652.db2.gz UUAXOMUAKSZKPP-GMTAPVOTSA-N 1 0 226.320 0.466 10 0 BCAERO C[C@@H]1CC[C@H]([NH+]2CCC(S(N)(=O)=O)CC2)C1 ZINC000334350149 133623622 /nfs/dbraw/zinc/62/36/22/133623622.db2.gz AWUCOBZBCZDQJL-ZJUUUORDSA-N 1 0 246.376 0.928 10 0 BCAERO c1cc(CN2CC[C@@H]3OCC[NH2+][C@H]3C2)sn1 ZINC000641797956 362738314 /nfs/dbraw/zinc/73/83/14/362738314.db2.gz AXTKFJGEATZVDA-QWRGUYRKSA-N 1 0 239.344 0.706 10 0 BCAERO Cc1cccc(C[NH2+]C(C)(CO)CO)c1 ZINC000096033138 179088341 /nfs/dbraw/zinc/08/83/41/179088341.db2.gz HFMPKSIPRHVJMI-UHFFFAOYSA-N 1 0 209.289 0.828 10 0 BCAERO COC(=O)[C@H](C)N[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC000725241822 537980273 /nfs/dbraw/zinc/98/02/73/537980273.db2.gz RBBKAZZFIGUPSC-GARJFASQSA-N 1 0 226.320 0.764 10 0 BCAERO Cc1cccc(CN2CC[C@H]([NH3+])C2=O)n1 ZINC000051576646 179083003 /nfs/dbraw/zinc/08/30/03/179083003.db2.gz BBZWPPHBLBICMH-JTQLQIEISA-N 1 0 205.261 0.450 10 0 BCAERO CCN(CCO)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000725241429 537978828 /nfs/dbraw/zinc/97/88/28/537978828.db2.gz FKLOEJJCKSQKQL-NWDGAFQWSA-N 1 0 212.337 0.927 10 0 BCAERO COCC(=O)N[C@](C)(CC[NH3+])C(F)F ZINC000669379590 537980732 /nfs/dbraw/zinc/98/07/32/537980732.db2.gz GKMGYSGQYAJONQ-MRVPVSSYSA-N 1 0 210.224 0.122 10 0 BCAERO CCCCOC[C@@H](O)C[NH2+][C@H]1CCN(CC)C1 ZINC000389423844 346463611 /nfs/dbraw/zinc/46/36/11/346463611.db2.gz WEQDNDKRVCEREX-STQMWFEESA-N 1 0 244.379 0.848 10 0 BCAERO CC(C)S(=O)(=O)N[C@](C)(CC[NH3+])C(F)F ZINC000669379888 537981594 /nfs/dbraw/zinc/98/15/94/537981594.db2.gz HZSCCOAMXISXMJ-MRVPVSSYSA-N 1 0 244.307 0.687 10 0 BCAERO Cc1cccc(N(C)C(=O)[C@H]2C[NH2+][C@H](C)CN2)c1 ZINC000062815453 179114409 /nfs/dbraw/zinc/11/44/09/179114409.db2.gz UGMFSMJJNLFNCJ-DGCLKSJQSA-N 1 0 247.342 0.908 10 0 BCAERO O[C@@H]1COC[C@H]1[NH2+]C1CCSCC1 ZINC000162969175 346543402 /nfs/dbraw/zinc/54/34/02/346543402.db2.gz UUXYPFIEJMIATB-RKDXNWHRSA-N 1 0 203.307 0.231 10 0 BCAERO CC1(C(=O)N2CCC(OC3C[NH2+]C3)CC2)CC1 ZINC000675055045 537982660 /nfs/dbraw/zinc/98/26/60/537982660.db2.gz MTBRQCMDJBSDHP-UHFFFAOYSA-N 1 0 238.331 0.766 10 0 BCAERO CC(C)N1CC[NH+](CC2(O)CCC2)CC1 ZINC000336504229 187369346 /nfs/dbraw/zinc/36/93/46/187369346.db2.gz AYDWDGKASUNTPG-UHFFFAOYSA-N 1 0 212.337 0.927 10 0 BCAERO Cc1cccc(Cn2c(C[NH3+])n[nH]c2=O)c1 ZINC000065386667 179109370 /nfs/dbraw/zinc/10/93/70/179109370.db2.gz UALXMHSZESBULX-UHFFFAOYSA-N 1 0 218.260 0.387 10 0 BCAERO CC(=O)N1C[C@]2(C[C@@H]([NH3+])[C@H](O)C2)[C@H]1C(C)C ZINC000669379767 537983074 /nfs/dbraw/zinc/98/30/74/537983074.db2.gz CJOSPIHJELVSRG-DDHJBXDOSA-N 1 0 226.320 0.342 10 0 BCAERO CC(=O)N1C[C@@]2(C[C@@H]([NH3+])[C@H](O)C2)[C@H]1C(C)C ZINC000669379768 537983105 /nfs/dbraw/zinc/98/31/05/537983105.db2.gz CJOSPIHJELVSRG-KKOKHZNYSA-N 1 0 226.320 0.342 10 0 BCAERO CCC[C@@H]1C[C@@H]1[NH2+]C[C@H](O)COCCOC ZINC000300380243 346574814 /nfs/dbraw/zinc/57/48/14/346574814.db2.gz IBSFRQBDMKHTIS-WOPDTQHZSA-N 1 0 231.336 0.789 10 0 BCAERO c1nnc2sc(C[C@@H]3CC[NH2+]C3)nn12 ZINC000163893101 346581706 /nfs/dbraw/zinc/58/17/06/346581706.db2.gz IUWOQUAGQARXKQ-LURJTMIESA-N 1 0 209.278 0.338 10 0 BCAERO CSC1CCN(C(=O)[C@@H]2CC[NH2+]C2)CC1 ZINC000300855002 346582677 /nfs/dbraw/zinc/58/26/77/346582677.db2.gz OGOYMIXSOKJPCS-SECBINFHSA-N 1 0 228.361 0.950 10 0 BCAERO O=C(N[C@@H]1CCCSC1)C1C[NH2+]C1 ZINC000164147864 346592409 /nfs/dbraw/zinc/59/24/09/346592409.db2.gz FVXNDRGBABFPGQ-MRVPVSSYSA-N 1 0 200.307 0.218 10 0 BCAERO CC(C)S(=O)(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000164750089 346623000 /nfs/dbraw/zinc/62/30/00/346623000.db2.gz OCZPCINKRSNGIH-IUCAKERBSA-N 1 0 220.338 0.455 10 0 BCAERO Cc1nnc2nccc(N3CCC([NH3+])CC3)n12 ZINC000584904564 346641222 /nfs/dbraw/zinc/64/12/22/346641222.db2.gz YCQQGUXJLWDQQQ-UHFFFAOYSA-N 1 0 232.291 0.360 10 0 BCAERO CN(C)C(=O)C[C@H]1[NH2+]CCc2ncn(C)c21 ZINC000725242771 537985207 /nfs/dbraw/zinc/98/52/07/537985207.db2.gz RZJLRMFKSQBIHJ-SECBINFHSA-N 1 0 222.292 0.085 10 0 BCAERO Cc1cccc(NC(=O)[C@H](C)N2CC[NH2+]CC2)n1 ZINC000034958645 179140636 /nfs/dbraw/zinc/14/06/36/179140636.db2.gz MNELUYCVBAAASS-NSHDSACASA-N 1 0 248.330 0.622 10 0 BCAERO CCOC(=O)c1ccc[n+](C)c1C(=O)OCC ZINC000168536067 346737777 /nfs/dbraw/zinc/73/77/77/346737777.db2.gz XCLDMAZBIUPRET-UHFFFAOYSA-N 1 0 238.263 0.865 10 0 BCAERO COC[C@H](C)C[NH2+][C@H]1CCCn2ncnc21 ZINC000188082163 346741005 /nfs/dbraw/zinc/74/10/05/346741005.db2.gz GNDKBVFSBCKRJW-ZJUUUORDSA-N 1 0 224.308 0.985 10 0 BCAERO Cc1cccc(OCCN2CC[C@H]([NH3+])C2=O)c1 ZINC000042896854 179168632 /nfs/dbraw/zinc/16/86/32/179168632.db2.gz GYLPIWAMPOZMDX-LBPRGKRZSA-N 1 0 234.299 0.933 10 0 BCAERO CCOC(=O)C12CCC([NH3+])(CC1)C[C@H]2O ZINC000218553776 347135203 /nfs/dbraw/zinc/13/52/03/347135203.db2.gz WHYJZYOAIIOKMI-MFAVDMRSSA-N 1 0 213.277 0.572 10 0 BCAERO Cc1cccc([C@@H](O)CNC(=O)[C@@H]2CCC[NH2+]2)c1 ZINC000262104109 179188156 /nfs/dbraw/zinc/18/81/56/179188156.db2.gz FAHSGCNEAVXEIA-STQMWFEESA-N 1 0 248.326 0.897 10 0 BCAERO Cc1cccc([C@@H](C[NH3+])N2CCC[C@@H]2C(N)=O)c1 ZINC000042965866 179185010 /nfs/dbraw/zinc/18/50/10/179185010.db2.gz GIRBHFMDUIRVLD-CHWSQXEVSA-N 1 0 247.342 0.945 10 0 BCAERO CO[C@@H]1CC[C@H]2[NH2+]CCN(C(C)C)[C@H]2N1 ZINC000669380338 537987340 /nfs/dbraw/zinc/98/73/40/537987340.db2.gz LNARVMDLPCEQJW-GMTAPVOTSA-N 1 0 213.325 0.351 10 0 BCAERO Cc1cccc([C@@H](NCC[NH+](C)C)C(N)=O)c1 ZINC000038000730 179186366 /nfs/dbraw/zinc/18/63/66/179186366.db2.gz KQWKGSKYOGSSNI-GFCCVEGCSA-N 1 0 235.331 0.673 10 0 BCAERO COCC[C@@]1(C)[NH2+]CCc2ncn(C)c21 ZINC000725242773 537987976 /nfs/dbraw/zinc/98/79/76/537987976.db2.gz SCMMKLGFSSBINK-LLVKDONJSA-N 1 0 209.293 0.818 10 0 BCAERO Cc1cccc([C@@H]([C@@H](C)[NH3+])N(C)CC(N)=O)c1 ZINC000042966079 179188225 /nfs/dbraw/zinc/18/82/25/179188225.db2.gz FDKULVABUFZRMO-ZWNOBZJWSA-N 1 0 235.331 0.800 10 0 BCAERO CCCCOC[C@H](O)C[N@@H+]1CC[C@H](C)[C@H]1CO ZINC000310053819 347223581 /nfs/dbraw/zinc/22/35/81/347223581.db2.gz PNUVNUPCPZJRKC-YNEHKIRRSA-N 1 0 245.363 0.867 10 0 BCAERO CC[S@](=O)[C@@H]1CC2(CC[C@H]1[NH3+])OCCO2 ZINC000250256647 362797590 /nfs/dbraw/zinc/79/75/90/362797590.db2.gz WVMCXWOQILCCGR-XWRVAKJBSA-N 1 0 233.333 0.378 10 0 BCAERO CN([C@H]1CCC[C@H]1C[NH3+])S(C)(=O)=O ZINC000250399609 362802451 /nfs/dbraw/zinc/80/24/51/362802451.db2.gz LZNJZNWEDWTRBL-YUMQZZPRSA-N 1 0 206.311 0.005 10 0 BCAERO CN(C[C@@H]1CSCC[NH2+]1)[C@H]1CCOC1 ZINC000250490575 362806026 /nfs/dbraw/zinc/80/60/26/362806026.db2.gz XXNAPOCBKWNCJA-ZJUUUORDSA-N 1 0 216.350 0.412 10 0 BCAERO Cc1cccc([C@H](O)CNC(=O)[C@H]2CCC[NH2+]2)c1 ZINC000262104100 179201948 /nfs/dbraw/zinc/20/19/48/179201948.db2.gz FAHSGCNEAVXEIA-CHWSQXEVSA-N 1 0 248.326 0.897 10 0 BCAERO CC(C)(C)[S@](=O)[C@H]1COCC[C@H]1[NH3+] ZINC000250597169 362811928 /nfs/dbraw/zinc/81/19/28/362811928.db2.gz SZZJVDFKPLKXSJ-BFHDXFOESA-N 1 0 205.323 0.650 10 0 BCAERO O[C@@H]1CCC[C@@H](C[NH2+]CC2(O)CCOCC2)C1 ZINC000310444384 347283919 /nfs/dbraw/zinc/28/39/19/347283919.db2.gz UAJUBQQUIZVMLH-VXGBXAGGSA-N 1 0 243.347 0.669 10 0 BCAERO COC[C@H]([NH3+])C(=O)N(C)[C@@H](C)C(C)(C)C ZINC000088003219 362819985 /nfs/dbraw/zinc/81/99/85/362819985.db2.gz IYODDCKXFICQKE-IUCAKERBSA-N 1 0 216.325 0.853 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N1C[C@@H](C)S[C@@H](C)C1 ZINC000088004505 362819556 /nfs/dbraw/zinc/81/95/56/362819556.db2.gz UUFIGJIOJAUHKO-HRDYMLBCSA-N 1 0 232.349 0.313 10 0 BCAERO CS(=O)(=O)N1CC[C@@H]2CCCC[C@@H]2[C@@H]1C[NH3+] ZINC000669380447 537989834 /nfs/dbraw/zinc/98/98/34/537989834.db2.gz NNKDMFZUPAQEMR-DCAQKATOSA-N 1 0 246.376 0.785 10 0 BCAERO COc1ccnc(N2CC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000192806717 347384342 /nfs/dbraw/zinc/38/43/42/347384342.db2.gz SNGUIOSZBMGPLE-SNVBAGLBSA-N 1 0 234.303 0.770 10 0 BCAERO O=C(NCCOC(F)(F)F)[C@H]1CCC[NH2+]C1 ZINC000396694882 362829003 /nfs/dbraw/zinc/82/90/03/362829003.db2.gz KWJJGAQIXKHEEH-ZETCQYMHSA-N 1 0 240.225 0.639 10 0 BCAERO COC(=O)CC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000020303502 347440477 /nfs/dbraw/zinc/44/04/77/347440477.db2.gz FGIHXCPAOLYGIX-IUCAKERBSA-N 1 0 201.266 0.659 10 0 BCAERO CCC(C)(C)n1cc(C[NH3+])c(=O)[nH]c1=O ZINC000616568213 347444815 /nfs/dbraw/zinc/44/48/15/347444815.db2.gz GOKFTODCPNERGU-UHFFFAOYSA-N 1 0 211.265 0.553 10 0 BCAERO C[C@H](O)[C@H](C)[N@H+](C)[C@H]1CCCN(C)C1 ZINC000251026663 362833494 /nfs/dbraw/zinc/83/34/94/362833494.db2.gz GIOFXPBRIHXQSH-DCAQKATOSA-N 1 0 200.326 0.782 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)NC1(COC)CC1 ZINC000380102902 365880736 /nfs/dbraw/zinc/88/07/36/365880736.db2.gz MJTXRQRWKQXHGE-MRVPVSSYSA-N 1 0 200.282 0.409 10 0 BCAERO [NH3+]C1(CN2CCSCC2)CCOCC1 ZINC000149765807 347514003 /nfs/dbraw/zinc/51/40/03/347514003.db2.gz YNPZNOLTKRBUDV-UHFFFAOYSA-N 1 0 216.350 0.543 10 0 BCAERO CC[C@H]1CC[NH2+]C[C@@H]1NC(=O)C1CCOCC1 ZINC000616569347 347648909 /nfs/dbraw/zinc/64/89/09/347648909.db2.gz INSGNFWVENXZSM-JQWIXIFHSA-N 1 0 240.347 0.917 10 0 BCAERO CC[C@H](O)C[N@H+](C)C[C@@H]1CN(C)CCO1 ZINC000592391274 347770927 /nfs/dbraw/zinc/77/09/27/347770927.db2.gz QYXCDXXXGZIXQI-QWRGUYRKSA-N 1 0 216.325 0.020 10 0 BCAERO Cc1cc(NC(=O)[C@@H]2C[NH2+]C[C@H]2C)n(C)n1 ZINC000082558889 347826916 /nfs/dbraw/zinc/82/69/16/347826916.db2.gz XYQQUNUJEOJEDF-VXNVDRBHSA-N 1 0 222.292 0.523 10 0 BCAERO CC(C)OCCCNC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000082559742 347829522 /nfs/dbraw/zinc/82/95/22/347829522.db2.gz WINWJMNFOJLAFB-GHMZBOCLSA-N 1 0 228.336 0.773 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N(C)C[C@@H]1CCCOC1 ZINC000082545376 347792234 /nfs/dbraw/zinc/79/22/34/347792234.db2.gz LSFZPQFXQQNJTB-QWRGUYRKSA-N 1 0 228.336 0.999 10 0 BCAERO CC(C)[C@@H](C)[NH2+]CCC(=O)NC(N)=O ZINC000308549866 347832935 /nfs/dbraw/zinc/83/29/35/347832935.db2.gz XAKNMWNSESZFCN-SSDOTTSWSA-N 1 0 201.270 0.206 10 0 BCAERO CC[C@@H](O)C[NH2+][C@H]1CCC(=O)N[C@@H]1C ZINC000308622941 347926986 /nfs/dbraw/zinc/92/69/86/347926986.db2.gz UUHVWTJUMCBDCR-HLTSFMKQSA-N 1 0 200.282 0.014 10 0 BCAERO COCC(=O)N[C@@H]1C[NH2+]CC[C@@H]1CC(C)C ZINC000616570155 347914511 /nfs/dbraw/zinc/91/45/11/347914511.db2.gz MGBACRMQVGZXCX-GHMZBOCLSA-N 1 0 228.336 0.773 10 0 BCAERO O=C1C[C@@H]([NH2+]Cc2cccs2)C(=O)N1 ZINC000036853634 347920306 /nfs/dbraw/zinc/92/03/06/347920306.db2.gz CVGDNRRTTVCBPI-SSDOTTSWSA-N 1 0 210.258 0.253 10 0 BCAERO Cc1ccccc1[C@@H]([NH3+])CN1C(=O)CN(C)C1=O ZINC000020296096 179324077 /nfs/dbraw/zinc/32/40/77/179324077.db2.gz ZPDWYQSJCPWNDU-NSHDSACASA-N 1 0 247.298 0.889 10 0 BCAERO Fc1cc2c(cn1)[nH]cc2[C@@H]1C[NH2+]CCN1 ZINC000669381541 537995151 /nfs/dbraw/zinc/99/51/51/537995151.db2.gz NPFUMMFVUKVNCR-VIFPVBQESA-N 1 0 220.251 0.936 10 0 BCAERO CC(=O)N[C@@H]1C[NH2+]CC[C@H]1C(F)(F)F ZINC000616570226 347964980 /nfs/dbraw/zinc/96/49/80/347964980.db2.gz FOMNDTMPAWOGER-RNFRBKRXSA-N 1 0 210.199 0.663 10 0 BCAERO CC[C@H]([NH3+])C(=O)N1CCC[C@@H](C(=O)OC)C1 ZINC000593912051 347970115 /nfs/dbraw/zinc/97/01/15/347970115.db2.gz UKULXOFYMVTWIG-BDAKNGLRSA-N 1 0 228.292 0.135 10 0 BCAERO CCC[C@H]([NH3+])C(=O)NCCC(=O)N[C@@H](C)CC ZINC000038014983 348031703 /nfs/dbraw/zinc/03/17/03/348031703.db2.gz IPRVXQVOKPDKOJ-UWVGGRQHSA-N 1 0 243.351 0.535 10 0 BCAERO Cc1ccccc1[C@H](C[NH3+])N(CCO)CCO ZINC000043035955 179342418 /nfs/dbraw/zinc/34/24/18/179342418.db2.gz LPHZSUVIBDSTKE-ZDUSSCGKSA-N 1 0 238.331 0.281 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N(CCC)CC(=O)NC ZINC000038101062 348053642 /nfs/dbraw/zinc/05/36/42/348053642.db2.gz CKCLFBVSECOVEK-VIFPVBQESA-N 1 0 229.324 0.098 10 0 BCAERO CCOC(=O)CC(=O)N1CCC2(C[NH2+]C2)CC1 ZINC000616571107 348104075 /nfs/dbraw/zinc/10/40/75/348104075.db2.gz JQZPEJPJVBBAEI-UHFFFAOYSA-N 1 0 240.303 0.152 10 0 BCAERO [NH3+]C[C@H](N1CCOC1=O)C(F)(F)C(F)(F)F ZINC000616571122 348104795 /nfs/dbraw/zinc/10/47/95/348104795.db2.gz VQAVNDJKRXUROG-BYPYZUCNSA-N 1 0 248.151 0.964 10 0 BCAERO CCCC[NH2+]C[C@H](O)C[C@]1(O)CCOC1 ZINC000669381737 537998323 /nfs/dbraw/zinc/99/83/23/537998323.db2.gz UDRPQPFNUXUORP-GHMZBOCLSA-N 1 0 217.309 0.279 10 0 BCAERO CN(C)c1nc([C@@H]2CC[N@H+](C)C2)cc(=O)[nH]1 ZINC000669381958 538000399 /nfs/dbraw/zinc/00/03/99/538000399.db2.gz BRAGUMVFDGDUBK-MRVPVSSYSA-N 1 0 222.292 0.667 10 0 BCAERO C[C@H]1CN(C[C@H]2CSCC[NH2+]2)CCO1 ZINC000251612114 362892114 /nfs/dbraw/zinc/89/21/14/362892114.db2.gz DNDHPUYBANOKSC-UWVGGRQHSA-N 1 0 216.350 0.412 10 0 BCAERO C[NH2+]CCCNC(=O)[C@@H]1CC[C@H](C)O1 ZINC000088140589 362906225 /nfs/dbraw/zinc/90/62/25/362906225.db2.gz IMKCNRNDBHBZMP-IUCAKERBSA-N 1 0 200.282 0.280 10 0 BCAERO C[C@@H]1CN([C@@H]2C[NH2+]C[C@H]2O)C[C@@H](C)S1 ZINC000251756920 362907972 /nfs/dbraw/zinc/90/79/72/362907972.db2.gz SYJSEBJPRRNXLS-ZYUZMQFOSA-N 1 0 216.350 0.145 10 0 BCAERO C[C@H](C(=O)[O-])[N@@H+]1C[C@@H](C[NH3+])CC[C@H]1C ZINC000251775292 362911195 /nfs/dbraw/zinc/91/11/95/362911195.db2.gz KXEMNWXLDFSKAY-IWSPIJDZSA-N 1 0 200.282 0.519 10 0 BCAERO CCC[NH2+]C[C@]1(O)CCNCC1(F)F ZINC000669382532 538002934 /nfs/dbraw/zinc/00/29/34/538002934.db2.gz MLALCEJRMOQRRS-MRVPVSSYSA-N 1 0 208.252 0.346 10 0 BCAERO CC(C)(C)OC(=O)[C@]1(C[NH3+])CCOC1 ZINC000725245944 538004488 /nfs/dbraw/zinc/00/44/88/538004488.db2.gz ZROQBOCZEQZJFC-JTQLQIEISA-N 1 0 201.266 0.694 10 0 BCAERO CC(C)S(=O)(=O)N1CC[C@@H](C)[C@H]([NH3+])C1 ZINC000251798572 362922317 /nfs/dbraw/zinc/92/23/17/362922317.db2.gz XSNADDXJCMXAAI-RKDXNWHRSA-N 1 0 220.338 0.394 10 0 BCAERO CC[C@@H]([NH2+]C)C(=O)N1CCCC[C@H]1C(=O)OC ZINC000595951402 348403516 /nfs/dbraw/zinc/40/35/16/348403516.db2.gz KIPVIRYODAKDHQ-ZJUUUORDSA-N 1 0 242.319 0.539 10 0 BCAERO CC(C)N1CCC(=O)[C@]2(C[NH2+]C[C@@H]2C)C1 ZINC000725245965 538004760 /nfs/dbraw/zinc/00/47/60/538004760.db2.gz OLVJWQYSFIUAGV-CMPLNLGQSA-N 1 0 210.321 0.895 10 0 BCAERO Cc1ccnc(N2CC[C@](C)(C[NH3+])C2)n1 ZINC000235927213 179433453 /nfs/dbraw/zinc/43/34/53/179433453.db2.gz IHYWEARNZRFGGU-LLVKDONJSA-N 1 0 206.293 0.960 10 0 BCAERO Cc1ccnc(S(=O)(=O)N[C@@H]2CC[NH2+]C2)c1 ZINC000095069182 179464922 /nfs/dbraw/zinc/46/49/22/179464922.db2.gz HFTPQTDLLMEWLZ-SECBINFHSA-N 1 0 241.316 0.030 10 0 BCAERO C[C@@H]1C[NH2+]C[C@@]12OC(C)(C)OC[C@H]2O ZINC000725246046 538006224 /nfs/dbraw/zinc/00/62/24/538006224.db2.gz QLFRTQYVDLDCCV-NQMVMOMDSA-N 1 0 201.266 0.108 10 0 BCAERO O=C(N[C@@H]1CC[C@@H]2C[NH2+]CC[C@H]12)C1CC1 ZINC000669382963 538006676 /nfs/dbraw/zinc/00/66/76/538006676.db2.gz PGCVXRYJGLWSRB-OUAUKWLOSA-N 1 0 208.305 0.901 10 0 BCAERO Cc1ccsc1CN(C)[C@H]1C[NH2+]C[C@@H]1O ZINC000334879383 179544173 /nfs/dbraw/zinc/54/41/73/179544173.db2.gz BKVPPZLHXSTAKM-UWVGGRQHSA-N 1 0 226.345 0.821 10 0 BCAERO C[C@@H]1C[NH2+][C@@H](C)[C@@H](C)N1S(C)(=O)=O ZINC000401198645 348589296 /nfs/dbraw/zinc/58/92/96/348589296.db2.gz BXZHEZDGLYDPNC-GJMOJQLCSA-N 1 0 206.311 0.017 10 0 BCAERO CCCC1(C(=O)NCC(=O)OC)CC[NH2+]CC1 ZINC000062848822 168591062 /nfs/dbraw/zinc/59/10/62/168591062.db2.gz OYTLUSINPWUZIG-UHFFFAOYSA-N 1 0 242.319 0.446 10 0 BCAERO C[C@@]([NH3+])(C(N)=O)c1ccc2c(c1)OCO2 ZINC000037459995 348614611 /nfs/dbraw/zinc/61/46/11/348614611.db2.gz PBGCHCIRWGVUMJ-JTQLQIEISA-N 1 0 208.217 0.075 10 0 BCAERO CCCC[NH2+]C[C@@]1(O)CCNCC1(F)F ZINC000669383768 538009879 /nfs/dbraw/zinc/00/98/79/538009879.db2.gz YEQHCMKXUGFOIW-VIFPVBQESA-N 1 0 222.279 0.736 10 0 BCAERO COC[C@@H](C[NH2+]C[C@H](O)C(C)(C)C)OC ZINC000308810984 348698599 /nfs/dbraw/zinc/69/85/99/348698599.db2.gz QHDQDDRNUQPEQK-ZJUUUORDSA-N 1 0 219.325 0.644 10 0 BCAERO [NH3+][C@H]1C[C@@]12CNc1cc3c(cc12)OCCO3 ZINC000725247068 538012222 /nfs/dbraw/zinc/01/22/22/538012222.db2.gz GNLLQWWYRQPHOV-RYUDHWBXSA-N 1 0 218.256 0.852 10 0 BCAERO COCc1nc([C@@H]2CC[N@H+](C)C2)cc(=O)[nH]1 ZINC000669383880 538012432 /nfs/dbraw/zinc/01/24/32/538012432.db2.gz ZTNRZPQGUOBUJQ-MRVPVSSYSA-N 1 0 223.276 0.748 10 0 BCAERO C[NH2+][C@H](C)C(=O)NCCC[N@@H+]1CCCC[C@H]1C ZINC000054071597 348873807 /nfs/dbraw/zinc/87/38/07/348873807.db2.gz ZMOCDAXUAVMZRA-VXGBXAGGSA-N 1 0 241.379 0.975 10 0 BCAERO CC[C@@H](C)NC(=O)CCNC(=O)[C@@H](C)[NH2+]C ZINC000054075639 348877663 /nfs/dbraw/zinc/87/76/63/348877663.db2.gz GDSGTFWVQOMWSA-RKDXNWHRSA-N 1 0 229.324 0.015 10 0 BCAERO C[C@@H]1CC[C@@H](C2CC[NH2+]CC2)[C@@H](C(=O)[O-])[NH2+]1 ZINC000669385254 538019639 /nfs/dbraw/zinc/01/96/39/538019639.db2.gz UJGGAHKIDBEBEA-MIMYLULJSA-N 1 0 226.320 0.827 10 0 BCAERO Cc1c(N)ccc(=O)n1[C@H](C)C[NH+](C)C ZINC000725249302 538019931 /nfs/dbraw/zinc/01/99/31/538019931.db2.gz GZNZQAIBYOKILX-MRVPVSSYSA-N 1 0 209.293 0.862 10 0 BCAERO COCCN(C)C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054291273 348963472 /nfs/dbraw/zinc/96/34/72/348963472.db2.gz PEOAEDWAXCCSJO-JTQLQIEISA-N 1 0 214.309 0.481 10 0 BCAERO CC[S@](=O)N1[C@H](C)C[NH2+][C@H](C)[C@@H]1C ZINC000401224152 349042904 /nfs/dbraw/zinc/04/29/04/349042904.db2.gz CGGXUKGIJDOBPE-SKNMHBRKSA-N 1 0 204.339 0.741 10 0 BCAERO CC(C)[NH2+]CC(=O)N1CCS[C@@H](C)C1 ZINC000123354345 490224006 /nfs/dbraw/zinc/22/40/06/490224006.db2.gz IESNJJKAAFXBSL-VIFPVBQESA-N 1 0 216.350 0.948 10 0 BCAERO [NH3+]C[C@@H]1OCC(=O)N[C@@H]1c1ccccc1 ZINC000616576896 349097778 /nfs/dbraw/zinc/09/77/78/349097778.db2.gz BRKWWQDUZFFKAM-GXSJLCMTSA-N 1 0 206.245 0.201 10 0 BCAERO COCCC(=O)N1CC[C@H]2[NH2+]CCC[C@@H]21 ZINC000616573070 349064164 /nfs/dbraw/zinc/06/41/64/349064164.db2.gz WISOPJMGUNJZAV-ZJUUUORDSA-N 1 0 212.293 0.376 10 0 BCAERO COCC(=O)N1CC[C@@H](c2ccccc2)[C@@H]([NH3+])C1 ZINC000616572069 349065165 /nfs/dbraw/zinc/06/51/65/349065165.db2.gz TZKXFWJLJILPOY-STQMWFEESA-N 1 0 248.326 0.976 10 0 BCAERO OCC[NH2+][C@@H]1CCCN2CCSC[C@H]12 ZINC000616577774 349119491 /nfs/dbraw/zinc/11/94/91/349119491.db2.gz MBTJSGROICKYKU-NXEZZACHSA-N 1 0 216.350 0.148 10 0 BCAERO CS(=O)(=O)c1cnn([C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000725251489 538030101 /nfs/dbraw/zinc/03/01/01/538030101.db2.gz ADKDLOOQUNDDFE-IUCAKERBSA-N 1 0 243.332 0.729 10 0 BCAERO CCC[NH2+][C@@H](C)Cn1cc(S(C)(=O)=O)cn1 ZINC000725251535 538030762 /nfs/dbraw/zinc/03/07/62/538030762.db2.gz ARVXMVNMOLUACI-VIFPVBQESA-N 1 0 245.348 0.675 10 0 BCAERO COC(=O)CCCC[NH2+][C@H]1CCC(=O)N[C@@H]1C ZINC000599396480 349171636 /nfs/dbraw/zinc/17/16/36/349171636.db2.gz AXCGWPOBYKJIJM-ZJUUUORDSA-N 1 0 242.319 0.586 10 0 BCAERO CC[C@@H]([NH2+]C)[C@H](C)n1cc(S(C)(=O)=O)cn1 ZINC000725252851 538034456 /nfs/dbraw/zinc/03/44/56/538034456.db2.gz OQBKBDTYMRXHMC-WCBMZHEXSA-N 1 0 245.348 0.846 10 0 BCAERO CC[NH2+][C@H](C)Cn1cc(S(C)(=O)=O)cn1 ZINC000725253412 538037645 /nfs/dbraw/zinc/03/76/45/538037645.db2.gz VCXYRVPTEKPYFO-MRVPVSSYSA-N 1 0 231.321 0.285 10 0 BCAERO CS(=O)(=O)c1cnn(C[C@@H]2CCCC[NH2+]2)c1 ZINC000725253585 538037747 /nfs/dbraw/zinc/03/77/47/538037747.db2.gz XVBXJHVBHNMWID-VIFPVBQESA-N 1 0 243.332 0.429 10 0 BCAERO CS(=O)(=O)c1cnn([C@H]2CC[C@H]([NH3+])C2)c1 ZINC000725253173 538036174 /nfs/dbraw/zinc/03/61/74/538036174.db2.gz RBLSBFCUXBFDMQ-YUMQZZPRSA-N 1 0 229.305 0.339 10 0 BCAERO Cc1n[nH]c(C)c1NC(=O)C1CC[NH2+]CC1 ZINC000036736543 179827629 /nfs/dbraw/zinc/82/76/29/179827629.db2.gz AGQCBPXBPPILOS-UHFFFAOYSA-N 1 0 222.292 0.965 10 0 BCAERO CN(c1cnccn1)[C@@H]1CC[C@@H]2C[NH2+]C[C@H]12 ZINC000616580629 349259025 /nfs/dbraw/zinc/25/90/25/349259025.db2.gz YHAQWTJVADFUKT-OUAUKWLOSA-N 1 0 218.304 0.911 10 0 BCAERO C[C@@H]1C[C@H](NC(=O)C[C@H]2CCC[NH2+]C2)CO1 ZINC000402044987 349265868 /nfs/dbraw/zinc/26/58/68/349265868.db2.gz KLPGXDLZBVBJBE-MXWKQRLJSA-N 1 0 226.320 0.670 10 0 BCAERO C[C@@H]1C[C@H](NC(=O)C[C@@H]2CCC[NH2+]C2)CO1 ZINC000402044990 349265977 /nfs/dbraw/zinc/26/59/77/349265977.db2.gz KLPGXDLZBVBJBE-VWYCJHECSA-N 1 0 226.320 0.670 10 0 BCAERO C[C@H]1CC[NH2+]C[C@@H]1n1cc(S(C)(=O)=O)cn1 ZINC000725253367 538038103 /nfs/dbraw/zinc/03/81/03/538038103.db2.gz UEPNLPHCXHUBBK-WPRPVWTQSA-N 1 0 243.332 0.457 10 0 BCAERO C[C@H]1CC[NH2+]C[C@H]1n1cc(S(C)(=O)=O)cn1 ZINC000725253366 538038161 /nfs/dbraw/zinc/03/81/61/538038161.db2.gz UEPNLPHCXHUBBK-WCBMZHEXSA-N 1 0 243.332 0.457 10 0 BCAERO COCn1ncc(C)c1[C@@H](O)C[NH2+]C(C)C ZINC000725253382 538038204 /nfs/dbraw/zinc/03/82/04/538038204.db2.gz JZKAGCCLJONHLO-JTQLQIEISA-N 1 0 227.308 0.827 10 0 BCAERO CC(=O)N1C[C@H](C[NH3+])Nc2ccccc21 ZINC000616584341 349335345 /nfs/dbraw/zinc/33/53/45/349335345.db2.gz KJCLHFJEUDQTFK-VIFPVBQESA-N 1 0 205.261 0.792 10 0 BCAERO CC(C)[C@@H](O)C[NH2+]CC1(O)CCOCC1 ZINC000300837667 349357825 /nfs/dbraw/zinc/35/78/25/349357825.db2.gz DOYGAMRWULWUHS-JTQLQIEISA-N 1 0 217.309 0.134 10 0 BCAERO C[NH2+][C@@H](C)[C@H](C)n1cc(S(C)(=O)=O)cn1 ZINC000725253638 538039226 /nfs/dbraw/zinc/03/92/26/538039226.db2.gz YKVMNAXKGIVHFJ-YUMQZZPRSA-N 1 0 231.321 0.456 10 0 BCAERO CC(=O)N1C[C@@H](C[NH3+])Nc2ccccc21 ZINC000616583632 349318390 /nfs/dbraw/zinc/31/83/90/349318390.db2.gz KJCLHFJEUDQTFK-SECBINFHSA-N 1 0 205.261 0.792 10 0 BCAERO Cc1nc(C)n([C@@H](C[NH3+])c2ccncc2)n1 ZINC000043355015 179923182 /nfs/dbraw/zinc/92/31/82/179923182.db2.gz NCPTXVFEKCWATC-NSHDSACASA-N 1 0 217.276 0.838 10 0 BCAERO C[C@@H]1CN(C(=O)[C@]2(C)CCC[NH2+]2)[C@@H](C)CO1 ZINC000070618781 350031803 /nfs/dbraw/zinc/03/18/03/350031803.db2.gz SRBVPIJJHQIGEA-UMNHJUIQSA-N 1 0 226.320 0.764 10 0 BCAERO C[C@]1(C(=O)NCc2cccnc2)CCC[NH2+]1 ZINC000070618627 350032052 /nfs/dbraw/zinc/03/20/52/350032052.db2.gz URIZOGKXIQDOSS-GFCCVEGCSA-N 1 0 219.288 0.840 10 0 BCAERO CC(C)Oc1cncc(N2CC[NH2+]CC2)n1 ZINC000070569910 350021965 /nfs/dbraw/zinc/02/19/65/350021965.db2.gz RBOIRPOBUSXLHR-UHFFFAOYSA-N 1 0 222.292 0.673 10 0 BCAERO C[C@@H]1CCCN(c2ccc(C#N)nn2)[C@@H]1C[NH3+] ZINC000396979051 350023225 /nfs/dbraw/zinc/02/32/25/350023225.db2.gz RBYKPGSHQANUBB-MWLCHTKSSA-N 1 0 231.303 0.912 10 0 BCAERO Cc1cc(CNC(=O)[C@@]2(C)CCC[NH2+]2)on1 ZINC000070619204 350028848 /nfs/dbraw/zinc/02/88/48/350028848.db2.gz MFHIVDYCOCJWRU-LLVKDONJSA-N 1 0 223.276 0.741 10 0 BCAERO C[C@]1(C(=O)NCCc2nccs2)CCC[NH2+]1 ZINC000070619363 350029517 /nfs/dbraw/zinc/02/95/17/350029517.db2.gz RBRKSRLLRQKEEI-LLVKDONJSA-N 1 0 239.344 0.944 10 0 BCAERO C[C@]1(C(=O)NCCc2cscn2)CCC[NH2+]1 ZINC000070619421 350029800 /nfs/dbraw/zinc/02/98/00/350029800.db2.gz DDUFJGXEKBTALQ-LLVKDONJSA-N 1 0 239.344 0.944 10 0 BCAERO Cc1nn(C)cc1CN1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000235324633 191003850 /nfs/dbraw/zinc/00/38/50/191003850.db2.gz XXNWTLANMIDMHO-KCJUWKMLSA-N 1 0 208.309 0.508 10 0 BCAERO CC[C@H](COC)NC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000070659014 350039810 /nfs/dbraw/zinc/03/98/10/350039810.db2.gz ATFRELHQTLYFHT-WDEREUQCSA-N 1 0 228.336 0.917 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@@H]1CCC[C@H](O)C1 ZINC000082559412 490290239 /nfs/dbraw/zinc/29/02/39/490290239.db2.gz JUWMLUMJPYIWBP-CHWFTXMASA-N 1 0 226.320 0.262 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)NC1CCOCC1 ZINC000082559396 490290331 /nfs/dbraw/zinc/29/03/31/490290331.db2.gz OBQBNSSKWXBJMF-PSASIEDQSA-N 1 0 212.293 0.137 10 0 BCAERO CCC(=[NH2+])NC[C@H]1CCS(=O)(=O)C1 ZINC000062991129 350100892 /nfs/dbraw/zinc/10/08/92/350100892.db2.gz VHPQGMLLOFDGFJ-SSDOTTSWSA-N 1 0 204.295 0.398 10 0 BCAERO CC[C@@H]1CC[N@H+](C[C@H](O)CN2CCCC2=O)C1 ZINC000131559752 191016442 /nfs/dbraw/zinc/01/64/42/191016442.db2.gz WYUXGCVGAJRFOX-NEPJUHHUSA-N 1 0 240.347 0.702 10 0 BCAERO C[C@@H](NC(=O)[C@@H]1C[NH2+]C[C@H]1C)c1cnn(C)c1 ZINC000302569918 350090170 /nfs/dbraw/zinc/09/01/70/350090170.db2.gz OVZWBZVIBQLHKP-FXPVBKGRSA-N 1 0 236.319 0.453 10 0 BCAERO [NH3+]Cc1ccc(F)c2c1C[NH2+][C@@H](C(=O)[O-])C2 ZINC000725255899 538052742 /nfs/dbraw/zinc/05/27/42/538052742.db2.gz PGHMNVJPMKAUGN-SNVBAGLBSA-N 1 0 224.235 0.383 10 0 BCAERO Cc1c(C[NH3+])ccc2c1C[C@H](C(=O)[O-])[NH2+]C2 ZINC000725256181 538055414 /nfs/dbraw/zinc/05/54/14/538055414.db2.gz VXFNUIVZVYJMOT-LLVKDONJSA-N 1 0 220.272 0.553 10 0 BCAERO CCN1C(CC)(CC)[C@@H]([NH3+])CS1(=O)=O ZINC000725256392 538055638 /nfs/dbraw/zinc/05/56/38/538055638.db2.gz IZABOVUQOSXDSG-QMMMGPOBSA-N 1 0 220.338 0.538 10 0 BCAERO COc1ccc(C[NH3+])c2c1C[NH2+][C@H](C(=O)[O-])C2 ZINC000725256242 538057004 /nfs/dbraw/zinc/05/70/04/538057004.db2.gz YPFVHWRMGBYSBI-JTQLQIEISA-N 1 0 236.271 0.253 10 0 BCAERO CCCC[C@@]1(C)[C@@H]([NH3+])CS(=O)(=O)N1C ZINC000725256291 538057020 /nfs/dbraw/zinc/05/70/20/538057020.db2.gz BDXCELTWULMOPL-IUCAKERBSA-N 1 0 220.338 0.538 10 0 BCAERO CCN1C2(CCCC2)[C@@H]([NH3+])CS1(=O)=O ZINC000725256504 538057612 /nfs/dbraw/zinc/05/76/12/538057612.db2.gz QWNMTDSEIFRABN-QMMMGPOBSA-N 1 0 218.322 0.292 10 0 BCAERO COC(=O)[C@H]1Cc2[nH]c(N)[nH+]c2[C@@H](C)C1 ZINC000725256657 538057740 /nfs/dbraw/zinc/05/77/40/538057740.db2.gz AOAXSZUXLLBDRX-NTSWFWBYSA-N 1 0 209.249 0.831 10 0 BCAERO COC(=O)[C@@H]1Cc2[nH]c(N)[nH+]c2[C@H](C)C1 ZINC000725256659 538058487 /nfs/dbraw/zinc/05/84/87/538058487.db2.gz AOAXSZUXLLBDRX-RITPCOANSA-N 1 0 209.249 0.831 10 0 BCAERO C[C@@H]1[NH2+]CC[C@H]1C(=O)N1[C@H](C)COC[C@@H]1C ZINC000563156786 350174462 /nfs/dbraw/zinc/17/44/62/350174462.db2.gz LJIYREAFFFCFFD-ZRUFSTJUSA-N 1 0 226.320 0.620 10 0 BCAERO Cc1nc[nH]c1C[NH2+][C@@]1(C)CCS(=O)(=O)C1 ZINC000054794858 180121617 /nfs/dbraw/zinc/12/16/17/180121617.db2.gz JXPJUYXYNUBSRN-JTQLQIEISA-N 1 0 243.332 0.385 10 0 BCAERO Cc1ncc(C[NH2+][C@H](C)C(=O)NC(N)=O)s1 ZINC000040998166 180155650 /nfs/dbraw/zinc/15/56/50/180155650.db2.gz JLLDRFHMXKMWSD-RXMQYKEDSA-N 1 0 242.304 0.125 10 0 BCAERO Cc1ncc(C[NH2+][C@@H]2CCS(=O)(=O)C2)s1 ZINC000037505451 180156709 /nfs/dbraw/zinc/15/67/09/180156709.db2.gz GGWPQEVKXMHHBN-MRVPVSSYSA-N 1 0 246.357 0.728 10 0 BCAERO Cc1ncc(C[NH2+][C@@H]2CCCNC2=O)s1 ZINC000050393633 180156900 /nfs/dbraw/zinc/15/69/00/180156900.db2.gz WDAOMHGVMGLBPB-SECBINFHSA-N 1 0 225.317 0.820 10 0 BCAERO Cn1nccc1-c1cc(=O)[nH]c(C(C)(C)[NH3+])n1 ZINC000725257617 538067938 /nfs/dbraw/zinc/06/79/38/538067938.db2.gz SQZMIYDBPXFEOS-UHFFFAOYSA-N 1 0 233.275 0.777 10 0 BCAERO CO[C@@H]1CCCN(C(=O)[C@H]2CCC[C@@H]2[NH3+])C1 ZINC000151884362 191067470 /nfs/dbraw/zinc/06/74/70/191067470.db2.gz LQNPOJFZSJSNDJ-VWYCJHECSA-N 1 0 226.320 0.751 10 0 BCAERO C[C@H](C[NH3+])C(=O)N[C@@H]1CCCSC1 ZINC000220736037 350183556 /nfs/dbraw/zinc/18/35/56/350183556.db2.gz IOFZTGZAVATAJX-HTQZYQBOSA-N 1 0 202.323 0.593 10 0 BCAERO Cc1ncc2c(ccn(CC[NH3+])c2=O)n1 ZINC000072416326 180175808 /nfs/dbraw/zinc/17/58/08/180175808.db2.gz POEONHLQQWCPPO-UHFFFAOYSA-N 1 0 204.233 0.059 10 0 BCAERO Cc1nccc(C[NH2+][C@H]2CCC(=O)N[C@H]2C)n1 ZINC000339393217 180191552 /nfs/dbraw/zinc/19/15/52/180191552.db2.gz NQQDBMZJZWCCOL-KWQFWETISA-N 1 0 234.303 0.542 10 0 BCAERO Cc1nccc(CN2CCC[C@H]([NH3+])C2=O)n1 ZINC000070061564 180182997 /nfs/dbraw/zinc/18/29/97/180182997.db2.gz YJTFWQYNFKQYFW-JTQLQIEISA-N 1 0 220.276 0.235 10 0 BCAERO Cc1nccc(CN2CCC([NH3+])CC2)n1 ZINC000044994774 180184809 /nfs/dbraw/zinc/18/48/09/180184809.db2.gz PBNNESPXFREIKY-UHFFFAOYSA-N 1 0 206.293 0.708 10 0 BCAERO Cc1nccc(CNC(=O)[C@H]2CC[NH2+]C2)n1 ZINC000062115450 180187859 /nfs/dbraw/zinc/18/78/59/180187859.db2.gz IRNPFXSXKYSRMJ-VIFPVBQESA-N 1 0 220.276 0.011 10 0 BCAERO Cc1nccc(C[NH2+]C2CCC(C(N)=O)CC2)n1 ZINC000054790635 180187939 /nfs/dbraw/zinc/18/79/39/180187939.db2.gz MSELLOZHKNWZAS-UHFFFAOYSA-N 1 0 248.330 0.919 10 0 BCAERO O=C(Nc1ccnn1C1C[NH2+]C1)c1cn[nH]c1 ZINC000725258285 538072717 /nfs/dbraw/zinc/07/27/17/538072717.db2.gz NELOQXSUQVIKIH-UHFFFAOYSA-N 1 0 232.247 0.003 10 0 BCAERO CC(C)NC(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725258306 538072784 /nfs/dbraw/zinc/07/27/84/538072784.db2.gz NTQLRBZZQYXKQF-UHFFFAOYSA-N 1 0 223.280 0.557 10 0 BCAERO Nc1cccc(CNc2ccnn2C2C[NH2+]C2)n1 ZINC000725258698 538076566 /nfs/dbraw/zinc/07/65/66/538076566.db2.gz XLYNQZITMBAHQS-UHFFFAOYSA-N 1 0 244.302 0.617 10 0 BCAERO O=C(Nc1ccnn1C1C[NH2+]C1)C1CC1 ZINC000725259228 538079513 /nfs/dbraw/zinc/07/95/13/538079513.db2.gz QUQPUZUUDBIMOC-UHFFFAOYSA-N 1 0 206.249 0.376 10 0 BCAERO Cc1nc(CN2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)no1 ZINC000309271387 350248066 /nfs/dbraw/zinc/24/80/66/350248066.db2.gz DCOHICGRZBSUAB-GUBZILKMSA-N 1 0 222.292 0.547 10 0 BCAERO O=C(Nc1ccnn1C1C[NH2+]C1)C(F)(F)F ZINC000725258871 538078212 /nfs/dbraw/zinc/07/82/12/538078212.db2.gz IDRPKPXQFCCUNW-UHFFFAOYSA-N 1 0 234.181 0.528 10 0 BCAERO CCOc1cc(N(C)[C@H](C)C[NH3+])nc(C)n1 ZINC000125466102 490434949 /nfs/dbraw/zinc/43/49/49/490434949.db2.gz HMVXECVVHKQQMI-MRVPVSSYSA-N 1 0 224.308 0.967 10 0 BCAERO Cc1nccn1C[C@H]1CCC[N@H+]1[C@@H](C)C(N)=O ZINC000178333774 180268201 /nfs/dbraw/zinc/26/82/01/180268201.db2.gz JKKAESDHJJFTBK-GXSJLCMTSA-N 1 0 236.319 0.530 10 0 BCAERO Cc1nccn2c1cnc2N1CC[NH2+]CC1 ZINC000089195457 180270958 /nfs/dbraw/zinc/27/09/58/180270958.db2.gz HCFLVPBODJIREN-UHFFFAOYSA-N 1 0 217.276 0.447 10 0 BCAERO COC1(OC)CC[C@@H](CO)C[C@H]1CC[NH3+] ZINC000725261998 538087931 /nfs/dbraw/zinc/08/79/31/538087931.db2.gz QGEBESZPDAQJCW-NXEZZACHSA-N 1 0 217.309 0.733 10 0 BCAERO CC[C@H]([C@@H](C)[NH3+])[C@H]1CCS(=O)(=O)C1 ZINC000038085427 350304429 /nfs/dbraw/zinc/30/44/29/350304429.db2.gz XNWQIHOPSYXYAT-HRDYMLBCSA-N 1 0 205.323 0.795 10 0 BCAERO Cc1nccnc1[S@@](=O)C1CC[NH2+]CC1 ZINC000095068785 180283481 /nfs/dbraw/zinc/28/34/81/180283481.db2.gz ZDKPURQHRARZSB-OAHLLOKOSA-N 1 0 225.317 0.645 10 0 BCAERO Cc1nccnc1[S@](=O)CC1CC[NH2+]CC1 ZINC000095068804 180283754 /nfs/dbraw/zinc/28/37/54/180283754.db2.gz QONLHKHELJZNLI-INIZCTEOSA-N 1 0 239.344 0.892 10 0 BCAERO C[NH+](C)C[C@H](O)CNCc1ccccc1 ZINC000037873793 350289472 /nfs/dbraw/zinc/28/94/72/350289472.db2.gz ZSHMFQSKNUKREM-GFCCVEGCSA-N 1 0 208.305 0.699 10 0 BCAERO COC(=O)[C@@H]1CCCCN1C(=O)C[NH2+]C1CC1 ZINC000037804410 350289741 /nfs/dbraw/zinc/28/97/41/350289741.db2.gz HGRVNDGCRBHICS-JTQLQIEISA-N 1 0 240.303 0.293 10 0 BCAERO Cc1ncn(CC[C@](C)([NH3+])C(N)=O)c1C ZINC000051928281 180286841 /nfs/dbraw/zinc/28/68/41/180286841.db2.gz XWLZPZZBHFOYNC-JTQLQIEISA-N 1 0 210.281 0.093 10 0 BCAERO COCC(=O)N[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000225083592 350350416 /nfs/dbraw/zinc/35/04/16/350350416.db2.gz SCQNDMNRUDJRRY-DTWKUNHWSA-N 1 0 200.282 0.089 10 0 BCAERO CC(C)(C[NH2+][C@@H]1CCCC[C@H]1O)OCCO ZINC000309377809 350360624 /nfs/dbraw/zinc/36/06/24/350360624.db2.gz CKIPXJDYGMLYMW-GHMZBOCLSA-N 1 0 231.336 0.667 10 0 BCAERO COCCNC(=O)N[C@]12CC[NH2+][C@@H]1CCCC2 ZINC000725264175 538090865 /nfs/dbraw/zinc/09/08/65/538090865.db2.gz FEZXIFKZEOJQJT-ZYHUDNBSSA-N 1 0 241.335 0.607 10 0 BCAERO Cc1ncsc1CNC(=O)[C@@H]1CC[NH2+]C1 ZINC000070837513 180318684 /nfs/dbraw/zinc/31/86/84/180318684.db2.gz IZVFBFMYDXYAJR-MRVPVSSYSA-N 1 0 225.317 0.677 10 0 BCAERO C[C@@H](O)CN(C)c1cc2c(nn1)CC[N@H+](C)C2 ZINC000725264805 538091323 /nfs/dbraw/zinc/09/13/23/538091323.db2.gz DGNSHGPVERSQLC-SECBINFHSA-N 1 0 236.319 0.282 10 0 BCAERO Cc1nn(C)c(N(C)C2CC[NH+](C)CC2)c1N ZINC000036748932 180350940 /nfs/dbraw/zinc/35/09/40/180350940.db2.gz DJKDMAJNVUKFRA-UHFFFAOYSA-N 1 0 237.351 0.841 10 0 BCAERO CC(C)CNC(=O)CN(C)[C@@H]1CCC[NH2+]CC1 ZINC000228300313 191101567 /nfs/dbraw/zinc/10/15/67/191101567.db2.gz KWHSUTDNKYNKAF-GFCCVEGCSA-N 1 0 241.379 0.833 10 0 BCAERO CC(C)[NH2+]C[C@H]1Cn2c(nnc2C(C)C)CN1 ZINC000725265017 538092868 /nfs/dbraw/zinc/09/28/68/538092868.db2.gz RCUQBNJEADUDJI-JTQLQIEISA-N 1 0 237.351 0.871 10 0 BCAERO Cc1nn(C)c(Sc2ccncn2)c1C(N)=[NH2+] ZINC000104325633 180361794 /nfs/dbraw/zinc/36/17/94/180361794.db2.gz XUZMQZBGWUADRI-UHFFFAOYSA-N 1 0 248.315 0.954 10 0 BCAERO Cc1nn(C)cc1C[NH2+][C@H]1CCCNC1=O ZINC000126011068 180376226 /nfs/dbraw/zinc/37/62/26/180376226.db2.gz PZJYLJTVURNZTN-JTQLQIEISA-N 1 0 222.292 0.097 10 0 BCAERO c1nnn([C@@H]2CCC[NH2+]C2)c1-c1cnccn1 ZINC000725266087 538093685 /nfs/dbraw/zinc/09/36/85/538093685.db2.gz LIQLTZQLOYNANP-SECBINFHSA-N 1 0 230.275 0.660 10 0 BCAERO Cc1nn(C)cc1[C@@H]1[C@@H](C[NH3+])CC[N@@H+]1C ZINC000082946472 180381569 /nfs/dbraw/zinc/38/15/69/180381569.db2.gz OUZLXPPOTDQXKL-KOLCDFICSA-N 1 0 208.309 0.680 10 0 BCAERO Cc1nn(CC(=O)NCCC[NH3+])cc1Cl ZINC000002538310 180383907 /nfs/dbraw/zinc/38/39/07/180383907.db2.gz GSNNIDNYQVUZCG-UHFFFAOYSA-N 1 0 230.699 0.310 10 0 BCAERO COCCN(CCO)C[C@@H]1CCC[N@@H+]1C ZINC000386288264 362961590 /nfs/dbraw/zinc/96/15/90/362961590.db2.gz HDFVJBWVTRDOIQ-NSHDSACASA-N 1 0 216.325 0.021 10 0 BCAERO Cn1cncc1-c1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000725266156 538094215 /nfs/dbraw/zinc/09/42/15/538094215.db2.gz QTAQLPCONFGDII-SECBINFHSA-N 1 0 232.291 0.603 10 0 BCAERO O=Cc1cccc(-c2cnnn2C2C[NH2+]C2)c1 ZINC000725266147 538094399 /nfs/dbraw/zinc/09/43/99/538094399.db2.gz PYPKAXSYROSYCE-UHFFFAOYSA-N 1 0 228.255 0.902 10 0 BCAERO CCOC(=O)c1n[nH]nc1[C@H]1CC[NH2+][C@@H]1CC ZINC000725266486 538095050 /nfs/dbraw/zinc/09/50/50/538095050.db2.gz COCWPHKHOZGLAC-JGVFFNPUSA-N 1 0 238.291 0.837 10 0 BCAERO [NH3+]CCN1CCO[C@@H](c2ccccn2)CC1 ZINC000616593691 350584259 /nfs/dbraw/zinc/58/42/59/350584259.db2.gz ARMTUYRYRRSCFO-GFCCVEGCSA-N 1 0 221.304 0.804 10 0 BCAERO C[C@H]1CCCN(c2ccc3nncn3n2)[C@@H]1C[NH3+] ZINC000420193045 192173292 /nfs/dbraw/zinc/17/32/92/192173292.db2.gz TXSTZSXOGKZOTC-VHSXEESVSA-N 1 0 246.318 0.688 10 0 BCAERO C[NH+](C)CC(=O)NC[C@H]1CCCC[C@H]1O ZINC000094755115 350607389 /nfs/dbraw/zinc/60/73/89/350607389.db2.gz RHQNTWTZYXSAQT-NXEZZACHSA-N 1 0 214.309 0.215 10 0 BCAERO OCC[N@@H+]1CCO[C@@H](c2cccnn2)CC1 ZINC000616595517 350607652 /nfs/dbraw/zinc/60/76/52/350607652.db2.gz NAIGJOYCBZFSAP-LLVKDONJSA-N 1 0 223.276 0.232 10 0 BCAERO Cn1ccc(C(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)n1 ZINC000231912584 350647593 /nfs/dbraw/zinc/64/75/93/350647593.db2.gz ZSFDPTWRIKKRKJ-ULKQDVFKSA-N 1 0 234.303 0.433 10 0 BCAERO CCCCOC[C@H](O)C[N@@H+]1C[C@@H](O)C[C@@H]1C ZINC000384925577 350648919 /nfs/dbraw/zinc/64/89/19/350648919.db2.gz GKFCKEILRVDKLU-SDDRHHMPSA-N 1 0 231.336 0.619 10 0 BCAERO [NH3+]C[C@@H]1CCCCCN1S(=O)(=O)C1CC1 ZINC000125067135 538098036 /nfs/dbraw/zinc/09/80/36/538098036.db2.gz WCRCDEYRPJZKDC-VIFPVBQESA-N 1 0 232.349 0.682 10 0 BCAERO Nc1cccc([C@H]2CC[N@H+](CCO)CCO2)n1 ZINC000616596199 350631013 /nfs/dbraw/zinc/63/10/13/350631013.db2.gz RATDIGGXHDMPED-LLVKDONJSA-N 1 0 237.303 0.420 10 0 BCAERO Cc1noc(C)c1CC(=O)N1CC[C@@H]([NH3+])[C@@H]1C ZINC000336322420 180465861 /nfs/dbraw/zinc/46/58/61/180465861.db2.gz WLGQZPZIDWEPAW-GZMMTYOYSA-N 1 0 237.303 0.782 10 0 BCAERO CCS(=O)(=O)N1CCCCC[C@H]1C[NH3+] ZINC000125064321 538098143 /nfs/dbraw/zinc/09/81/43/538098143.db2.gz HHSUDAHFTAKUIM-VIFPVBQESA-N 1 0 220.338 0.539 10 0 BCAERO [NH3+]CCN1CCCOC[C@@H]1c1cccnc1 ZINC000616596780 350636926 /nfs/dbraw/zinc/63/69/26/350636926.db2.gz HBCXCYMFAKOKID-GFCCVEGCSA-N 1 0 221.304 0.804 10 0 BCAERO Nc1cccc([C@H]2C[N@H+](CCO)CCCO2)n1 ZINC000616597933 350654170 /nfs/dbraw/zinc/65/41/70/350654170.db2.gz IUNYRPMDIZUCNV-LLVKDONJSA-N 1 0 237.303 0.420 10 0 BCAERO OCCN1CCOCC[C@H]1c1cc[nH]n1 ZINC000616598110 350654829 /nfs/dbraw/zinc/65/48/29/350654829.db2.gz ONVHLHBBFRZMTN-JTQLQIEISA-N 1 0 211.265 0.165 10 0 BCAERO [NH3+]CCN1CCCOC[C@@H]1c1ccncn1 ZINC000616598331 350658997 /nfs/dbraw/zinc/65/89/97/350658997.db2.gz WTIWBEYHLLVTAP-LLVKDONJSA-N 1 0 222.292 0.199 10 0 BCAERO OCCN1CCOCC[C@H]1c1ccno1 ZINC000616599038 350704597 /nfs/dbraw/zinc/70/45/97/350704597.db2.gz WGMCWQULBIYSJW-VIFPVBQESA-N 1 0 212.249 0.430 10 0 BCAERO COC(=O)c1cc([C@@](C)([NH3+])CO)ccc1F ZINC000309532942 350708423 /nfs/dbraw/zinc/70/84/23/350708423.db2.gz DLCNLHFCARCZET-NSHDSACASA-N 1 0 227.235 0.779 10 0 BCAERO OCC[N@@H+]1CCCO[C@@H](c2cc[nH]n2)C1 ZINC000616599532 350750416 /nfs/dbraw/zinc/75/04/16/350750416.db2.gz WJGFBSWTZDNZJK-SNVBAGLBSA-N 1 0 211.265 0.165 10 0 BCAERO Cc1noc(Cl)c1CC(=O)N1CC[NH2+]CC1 ZINC000237662494 180491270 /nfs/dbraw/zinc/49/12/70/180491270.db2.gz JCFFXQIRAVNOAO-UHFFFAOYSA-N 1 0 243.694 0.611 10 0 BCAERO [NH3+]CCN1CCOCC[C@H]1c1cnco1 ZINC000616599143 350726483 /nfs/dbraw/zinc/72/64/83/350726483.db2.gz XFLYIMZLFXLNOS-VIFPVBQESA-N 1 0 211.265 0.397 10 0 BCAERO [NH3+]CC(=O)Nc1cccc(C2OCCO2)c1 ZINC000236176451 350731068 /nfs/dbraw/zinc/73/10/68/350731068.db2.gz FHNVNMANFZKQCR-UHFFFAOYSA-N 1 0 222.244 0.629 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)N1CCC[C@@H](C(=O)OC)C1 ZINC000236905049 350743535 /nfs/dbraw/zinc/74/35/35/350743535.db2.gz XZEKTEWTKQKXBK-NXEZZACHSA-N 1 0 242.319 0.525 10 0 BCAERO OCC[N@@H+]1CCC[C@@H](c2conn2)CC1 ZINC000616600602 350778474 /nfs/dbraw/zinc/77/84/74/350778474.db2.gz HERHGGBBMXSTEU-SECBINFHSA-N 1 0 211.265 0.631 10 0 BCAERO CN1CC[NH2+]C[C@@H]1c1ccccc1CCO ZINC000616600880 350780687 /nfs/dbraw/zinc/78/06/87/350780687.db2.gz CMNBUKZQBDCXSC-CYBMUJFWSA-N 1 0 220.316 0.798 10 0 BCAERO OCC[N@@H+]1CCC[C@@H](c2c[nH]cn2)CC1 ZINC000616601261 350781608 /nfs/dbraw/zinc/78/16/08/350781608.db2.gz NJCDNEKKJZPWKN-SNVBAGLBSA-N 1 0 209.293 0.972 10 0 BCAERO OCC[N@@H+]1CCC[C@@H](c2cn[nH]n2)CC1 ZINC000616601320 350782544 /nfs/dbraw/zinc/78/25/44/350782544.db2.gz OBJSJTFKWCNNGO-SECBINFHSA-N 1 0 210.281 0.367 10 0 BCAERO CN1CC[NH2+]C[C@H]1c1ccccc1CCO ZINC000616602924 350788879 /nfs/dbraw/zinc/78/88/79/350788879.db2.gz CMNBUKZQBDCXSC-ZDUSSCGKSA-N 1 0 220.316 0.798 10 0 BCAERO OCC[N@@H+]1CCC[C@@H](c2nnc[nH]2)CC1 ZINC000616602550 350791709 /nfs/dbraw/zinc/79/17/09/350791709.db2.gz ZTOVAEWDSNGDMI-SECBINFHSA-N 1 0 210.281 0.367 10 0 BCAERO CCNC(=S)N1CC[C@@H]([NH+](C)C)[C@H]1C ZINC000306674846 350824873 /nfs/dbraw/zinc/82/48/73/350824873.db2.gz RIQDXWTZIXAGMD-RKDXNWHRSA-N 1 0 215.366 0.905 10 0 BCAERO Nc1cccc([C@@H]2CCC[N@@H+]2CCO)n1 ZINC000616606975 350799545 /nfs/dbraw/zinc/79/95/45/350799545.db2.gz ALEAWGAIBDQENQ-JTQLQIEISA-N 1 0 207.277 0.793 10 0 BCAERO CC(C)[C@@H](C)[N@@H+]1CCC[C@@](O)(CO)C1 ZINC000306674995 350823668 /nfs/dbraw/zinc/82/36/68/350823668.db2.gz RRVMSIZOPQFOQO-MNOVXSKESA-N 1 0 201.310 0.850 10 0 BCAERO NC(=O)c1ccccc1[C@@H]1CCC[N@H+](CCO)C1 ZINC000616609242 350805691 /nfs/dbraw/zinc/80/56/91/350805691.db2.gz NQAFOBZQCLJVJC-LLVKDONJSA-N 1 0 248.326 0.957 10 0 BCAERO NC(=O)c1cccc([C@@H]2CCN(CC[NH3+])C2)c1 ZINC000616614397 350832580 /nfs/dbraw/zinc/83/25/80/350832580.db2.gz MUFNIIVVVYNBJM-GFCCVEGCSA-N 1 0 233.315 0.534 10 0 BCAERO C[NH+](C)C1CN(Cc2nnsc2Cl)C1 ZINC000306678419 350832823 /nfs/dbraw/zinc/83/28/23/350832823.db2.gz HSIIOHXBMFKANF-UHFFFAOYSA-N 1 0 232.740 0.937 10 0 BCAERO CC[S@](C)(=O)=NC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000306679045 350834110 /nfs/dbraw/zinc/83/41/10/350834110.db2.gz AVTSKFZZYVPCEK-WGZSSWNPSA-N 1 0 218.322 0.758 10 0 BCAERO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(F)(F)F)C1 ZINC000159517802 350836227 /nfs/dbraw/zinc/83/62/27/350836227.db2.gz HBGFSRBQOQLDCS-NTSWFWBYSA-N 1 0 210.199 0.744 10 0 BCAERO [NH3+]CCN1CC[C@@H](c2ccccc2CCO)C1 ZINC000616614627 350836333 /nfs/dbraw/zinc/83/63/33/350836333.db2.gz SSVJZEZJPMGOKD-CYBMUJFWSA-N 1 0 234.343 0.969 10 0 BCAERO NC(=O)c1ccccc1[C@@H]1CCN(CC[NH3+])C1 ZINC000616614869 350841477 /nfs/dbraw/zinc/84/14/77/350841477.db2.gz YRVWEZHPLLPDJJ-SNVBAGLBSA-N 1 0 233.315 0.534 10 0 BCAERO C[C@H]1NC(=O)CC[C@H]1[NH2+]C1CSC1 ZINC000306693121 350846306 /nfs/dbraw/zinc/84/63/06/350846306.db2.gz QUKVPJOMBHGIGB-HTRCEHHLSA-N 1 0 200.307 0.359 10 0 BCAERO C(SC1=[NH+]CCCN1)[C@@H]1CCOCO1 ZINC000306702850 350849588 /nfs/dbraw/zinc/84/95/88/350849588.db2.gz HVLDAELHGSDUBD-QMMMGPOBSA-N 1 0 216.306 0.832 10 0 BCAERO CC1(C)C[C@H]([NH3+])CCN(S(C)(=O)=O)C1 ZINC000306701792 350851377 /nfs/dbraw/zinc/85/13/77/350851377.db2.gz LICUJGGQWUCYEM-MRVPVSSYSA-N 1 0 220.338 0.395 10 0 BCAERO Cc1nn(C)cc1C(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000306704595 350851943 /nfs/dbraw/zinc/85/19/43/350851943.db2.gz JPNYWCSNIDSPNW-VXNVDRBHSA-N 1 0 207.277 0.767 10 0 BCAERO CC[C@H](C)[N@@H+]1CCSC[C@H]1C(N)=O ZINC000306704343 350852118 /nfs/dbraw/zinc/85/21/18/350852118.db2.gz HCCZQOXHAJCOQY-YUMQZZPRSA-N 1 0 202.323 0.688 10 0 BCAERO CC[C@H](C)C[N@H+](C)CCN(C)CCO ZINC000623091017 350863420 /nfs/dbraw/zinc/86/34/20/350863420.db2.gz KEBRBAQXQIMKLJ-NSHDSACASA-N 1 0 202.342 0.888 10 0 BCAERO OCC[N@H+](CC[C@H](O)CO)Cc1ccccc1 ZINC000306676590 350828660 /nfs/dbraw/zinc/82/86/60/350828660.db2.gz WNWDBBHPHBEWNI-ZDUSSCGKSA-N 1 0 239.315 0.224 10 0 BCAERO CC(C)[S@@](=O)N1CCC[C@H]([NH3+])[C@H]1C ZINC000306733747 350903092 /nfs/dbraw/zinc/90/30/92/350903092.db2.gz NKZSQKKLUSKNKM-VYUIOLGVSA-N 1 0 204.339 0.870 10 0 BCAERO C[C@@H]1CCN(CCC(C)(C)O)C[C@H]1[NH3+] ZINC000252609715 350913311 /nfs/dbraw/zinc/91/33/11/350913311.db2.gz UCVOGPRXVDRZCG-NXEZZACHSA-N 1 0 200.326 0.817 10 0 BCAERO C[NH2+][C@@H]1CCN(C[C@H]2CCOCO2)C1 ZINC000252687555 350914096 /nfs/dbraw/zinc/91/40/96/350914096.db2.gz LQFGWUIVOUFBJV-NXEZZACHSA-N 1 0 200.282 0.043 10 0 BCAERO C[C@@H]1C[NH2+][C@H]([C@H]2CCOC2)C[S@]1=O ZINC000252823014 350915880 /nfs/dbraw/zinc/91/58/80/350915880.db2.gz BJDADROIDDDNEM-MRCNFZFLSA-N 1 0 203.307 0.132 10 0 BCAERO C[C@@H](CC(N)=S)[N@@H+]1CC[C@@H](O)[C@H](C)C1 ZINC000253196728 350919663 /nfs/dbraw/zinc/91/96/63/350919663.db2.gz RKBXXIFLTXIZFN-HRDYMLBCSA-N 1 0 216.350 0.754 10 0 BCAERO NC(=O)c1ccc([C@@H]2CCC[N@H+](CCO)C2)cc1 ZINC000616619830 350928189 /nfs/dbraw/zinc/92/81/89/350928189.db2.gz BCHQPHYOZCOYTL-CYBMUJFWSA-N 1 0 248.326 0.957 10 0 BCAERO Cc1c(CN(C)CC[N@H+](C)CCO)cnn1C ZINC000623091343 350872627 /nfs/dbraw/zinc/87/26/27/350872627.db2.gz ZSDIBTGBPLMAQL-UHFFFAOYSA-N 1 0 240.351 0.084 10 0 BCAERO Cc1noc(C)c1CN(C)CC[N@H+](C)CCO ZINC000623091814 350875824 /nfs/dbraw/zinc/87/58/24/350875824.db2.gz UFGMYXFLPSVVCP-UHFFFAOYSA-N 1 0 241.335 0.647 10 0 BCAERO CN(CC[N@H+](C)CCO)Cc1cscn1 ZINC000623091714 350875931 /nfs/dbraw/zinc/87/59/31/350875931.db2.gz PFUPKTVTEYZRID-UHFFFAOYSA-N 1 0 229.349 0.499 10 0 BCAERO CN(CC[N@H+](C)CCO)Cc1ccncc1 ZINC000623091768 350876053 /nfs/dbraw/zinc/87/60/53/350876053.db2.gz RNFKUKLIZBYPHP-UHFFFAOYSA-N 1 0 223.320 0.438 10 0 BCAERO CN(CC[N@H+](C)CCO)Cc1ccco1 ZINC000623091905 350876223 /nfs/dbraw/zinc/87/62/23/350876223.db2.gz ZGTBYOYHMVICPT-UHFFFAOYSA-N 1 0 212.293 0.636 10 0 BCAERO CN(CC[N@H+](C)CCO)Cc1cccnc1 ZINC000623091510 350876285 /nfs/dbraw/zinc/87/62/85/350876285.db2.gz FVMGZORSURGCKU-UHFFFAOYSA-N 1 0 223.320 0.438 10 0 BCAERO NC(=O)c1cccc([C@H]2CCC[N@H+](CCO)C2)c1 ZINC000616617998 350881184 /nfs/dbraw/zinc/88/11/84/350881184.db2.gz OMYHXJHHWJEIGF-ZDUSSCGKSA-N 1 0 248.326 0.957 10 0 BCAERO C[N@H+](C[C@@H]1COCCN1)[C@H]1CCSC1 ZINC000250486909 350881493 /nfs/dbraw/zinc/88/14/93/350881493.db2.gz XASWYVICAUJIHT-ZJUUUORDSA-N 1 0 216.350 0.412 10 0 BCAERO CC(C)[S@](=O)[C@H]1CC2(CC[C@H]1[NH3+])OCCO2 ZINC000250564487 350882012 /nfs/dbraw/zinc/88/20/12/350882012.db2.gz BFQGYEOSABNPHO-LSYCYVAJSA-N 1 0 247.360 0.766 10 0 BCAERO CC[S@](=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000306728542 350896935 /nfs/dbraw/zinc/89/69/35/350896935.db2.gz BSVNHUDHOBZTGL-ZDMBXUJBSA-N 1 0 202.323 0.496 10 0 BCAERO C[N@@H+]1CC[C@@H](n2ccc(=O)[nH]c2=S)C1 ZINC000052313219 350979326 /nfs/dbraw/zinc/97/93/26/350979326.db2.gz GZHCJVYIRVYTLH-SSDOTTSWSA-N 1 0 211.290 0.782 10 0 BCAERO CC(C)(CO)S[C@H]1COCC[C@@H]1[NH3+] ZINC000306761901 350987737 /nfs/dbraw/zinc/98/77/37/350987737.db2.gz GGYHDHAXSBBKSO-YUMQZZPRSA-N 1 0 205.323 0.607 10 0 BCAERO CCC[S@](=O)N1[C@@H](C)C[NH2+]C[C@@H]1C ZINC000306769165 351002031 /nfs/dbraw/zinc/00/20/31/351002031.db2.gz BANZUBXSPBTARR-RVBZMBCESA-N 1 0 204.339 0.742 10 0 BCAERO NC(=O)c1ccccc1[C@@H]1CCCN(CC[NH3+])C1 ZINC000616620861 350944840 /nfs/dbraw/zinc/94/48/40/350944840.db2.gz OFHUVGRWLIWXSL-LLVKDONJSA-N 1 0 247.342 0.924 10 0 BCAERO [NH3+]CCN1CCC[C@@H](c2cncnc2)C1 ZINC000616620687 350945295 /nfs/dbraw/zinc/94/52/95/350945295.db2.gz MNVWWSCPNNCTKP-SNVBAGLBSA-N 1 0 206.293 0.615 10 0 BCAERO C[C@@H]1SCC[C@@H]1N1CC[C@@H]([NH3+])C1=O ZINC000306782504 351030812 /nfs/dbraw/zinc/03/08/12/351030812.db2.gz KIFDHAFXVYUVDN-RNJXMRFFSA-N 1 0 200.307 0.440 10 0 BCAERO C[C@H]([C@H](C)[NH3+])N1CCC[S@](=O)CC1 ZINC000306786091 351033478 /nfs/dbraw/zinc/03/34/78/351033478.db2.gz KPAJNOHATPNZFR-RWEMILLDSA-N 1 0 204.339 0.177 10 0 BCAERO C[C@H](C[NH3+])N(C)CN1C(=O)c2ccccc2C1=O ZINC000306788004 351038651 /nfs/dbraw/zinc/03/86/51/351038651.db2.gz RIVPPRKZTMZRGG-SECBINFHSA-N 1 0 247.298 0.519 10 0 BCAERO Cn1cc(C(=O)C2(C[NH3+])CCCC2)nn1 ZINC000306795772 351043391 /nfs/dbraw/zinc/04/33/91/351043391.db2.gz GTJQYKYFYWMBDP-UHFFFAOYSA-N 1 0 208.265 0.517 10 0 BCAERO COC[C@H](C)C[NH2+][C@H]1CCOC[C@@H]1O ZINC000628466489 358459145 /nfs/dbraw/zinc/45/91/45/358459145.db2.gz BPTUPIMWLCXVGS-UTLUCORTSA-N 1 0 203.282 0.008 10 0 BCAERO NC(=[NH2+])C[C@@H]1CCN(c2nncs2)C1 ZINC000306805822 351056801 /nfs/dbraw/zinc/05/68/01/351056801.db2.gz ATIMSARMGXAKCN-LURJTMIESA-N 1 0 211.294 0.690 10 0 BCAERO C[S@](=O)N(CC[NH3+])Cc1ccccc1 ZINC000306808209 351060499 /nfs/dbraw/zinc/06/04/99/351060499.db2.gz OGTLPRMIDKGLSR-AWEZNQCLSA-N 1 0 212.318 0.741 10 0 BCAERO CCC[S@@](=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000306808728 351060633 /nfs/dbraw/zinc/06/06/33/351060633.db2.gz PXTZSFIKWSXJDW-VYUIOLGVSA-N 1 0 204.339 0.742 10 0 BCAERO [NH3+]CCN1CCCC[C@@H](c2ncc[nH]2)C1 ZINC000616629737 351100696 /nfs/dbraw/zinc/10/06/96/351100696.db2.gz PRAKFAKRTFAZEF-SNVBAGLBSA-N 1 0 208.309 0.938 10 0 BCAERO [NH3+]CCN1CCC[C@@H](c2cnno2)CC1 ZINC000616629707 351100735 /nfs/dbraw/zinc/10/07/35/351100735.db2.gz ZOMMVAAQTXLKSU-SECBINFHSA-N 1 0 210.281 0.598 10 0 BCAERO [NH3+]CCN1CCCC[C@@H](c2cnno2)C1 ZINC000616629763 351100879 /nfs/dbraw/zinc/10/08/79/351100879.db2.gz PVQJBGDBYZYFBU-SECBINFHSA-N 1 0 210.281 0.598 10 0 BCAERO [NH3+]CCN1CCCC[C@@H](c2cc[nH]n2)C1 ZINC000616630621 351103303 /nfs/dbraw/zinc/10/33/03/351103303.db2.gz RNLQRQVVMSKEOI-SNVBAGLBSA-N 1 0 208.309 0.938 10 0 BCAERO c1cc2ccc([C@@H]3C[NH2+]CCN3)cc2nn1 ZINC000616631532 351105098 /nfs/dbraw/zinc/10/50/98/351105098.db2.gz ABRHFDQVTYODRZ-LBPRGKRZSA-N 1 0 214.272 0.864 10 0 BCAERO OCC[N@@H+]1CCC[C@@H](n2ccnc2)CC1 ZINC000616626655 351106322 /nfs/dbraw/zinc/10/63/22/351106322.db2.gz CEAMRAMHODWMCF-LLVKDONJSA-N 1 0 209.293 0.902 10 0 BCAERO CC(C)[N@@H+]1CCN[C@@H](c2cccnn2)C1 ZINC000616631822 351108807 /nfs/dbraw/zinc/10/88/07/351108807.db2.gz FSFXCCFOVHYGNF-LLVKDONJSA-N 1 0 206.293 0.831 10 0 BCAERO Nc1ccc([C@H]2CN(CCO)CC[NH2+]2)cc1 ZINC000616631772 351109245 /nfs/dbraw/zinc/10/92/45/351109245.db2.gz BTFOVWWDYVXVAQ-GFCCVEGCSA-N 1 0 221.304 0.207 10 0 BCAERO CN1CC[NH2+][C@@H](c2ccc(CCO)cc2)C1 ZINC000616632124 351109852 /nfs/dbraw/zinc/10/98/52/351109852.db2.gz LZWDSTPATKRGTD-CYBMUJFWSA-N 1 0 220.316 0.798 10 0 BCAERO CN1CC[NH2+][C@@H](c2ccc(CO)cc2)C1 ZINC000616632638 351112777 /nfs/dbraw/zinc/11/27/77/351112777.db2.gz UMOVUBSLKJMZRH-GFCCVEGCSA-N 1 0 206.289 0.755 10 0 BCAERO CC(C)(C)OC(=O)N1CCN[C@H](CC[NH3+])C1 ZINC000616632783 351113850 /nfs/dbraw/zinc/11/38/50/351113850.db2.gz WGTDAGKBJOKWDT-SECBINFHSA-N 1 0 229.324 0.544 10 0 BCAERO CC(C)[N@@H+]1CCN[C@H](c2cncnc2)C1 ZINC000616632993 351114386 /nfs/dbraw/zinc/11/43/86/351114386.db2.gz UURUOVGWZSDIIJ-NSHDSACASA-N 1 0 206.293 0.831 10 0 BCAERO CC[N@@H+]1CCN[C@H](c2ccc(C(N)=O)cc2)C1 ZINC000616633001 351114558 /nfs/dbraw/zinc/11/45/58/351114558.db2.gz VMQPGYZGJLXYRR-LBPRGKRZSA-N 1 0 233.315 0.752 10 0 BCAERO OCCN1CC[NH2+][C@H](c2cccc(CO)c2)C1 ZINC000616634463 351117266 /nfs/dbraw/zinc/11/72/66/351117266.db2.gz SXVDOXURNWWWBX-ZDUSSCGKSA-N 1 0 236.315 0.118 10 0 BCAERO CC(C)(C)[C@@H]1CN(S(C)(=O)=O)CC[NH2+]1 ZINC000616634989 351117917 /nfs/dbraw/zinc/11/79/17/351117917.db2.gz HENWKWRUBBGFAF-QMMMGPOBSA-N 1 0 220.338 0.266 10 0 BCAERO Nc1ccccc1[C@H]1C[NH2+]CCN1CCO ZINC000616636011 351121399 /nfs/dbraw/zinc/12/13/99/351121399.db2.gz IOZXWXHRWNWRFE-GFCCVEGCSA-N 1 0 221.304 0.207 10 0 BCAERO C[C@@]1(C(=O)N2CCn3ccnc3C2)CCC[NH2+]1 ZINC000079521318 351071072 /nfs/dbraw/zinc/07/10/72/351071072.db2.gz XQICOGZFPACAOH-LBPRGKRZSA-N 1 0 234.303 0.367 10 0 BCAERO OCC[N@@H+]1CCC[C@@H](c2cncnc2)C1 ZINC000616621762 351083824 /nfs/dbraw/zinc/08/38/24/351083824.db2.gz XXEDWWHFQLYXBS-SNVBAGLBSA-N 1 0 207.277 0.648 10 0 BCAERO CNc1ccccc1[C@@H]1C[NH2+]CCN1CCO ZINC000616636430 351125170 /nfs/dbraw/zinc/12/51/70/351125170.db2.gz RUGVEBKAIWXXLK-ZDUSSCGKSA-N 1 0 235.331 0.667 10 0 BCAERO [NH3+]CCN1CCCCC[C@H]1c1cnno1 ZINC000616625693 351094761 /nfs/dbraw/zinc/09/47/61/351094761.db2.gz UGPXNRMGPKCFRV-VIFPVBQESA-N 1 0 210.281 0.945 10 0 BCAERO Cc1cc(C[NH2+]C[C@@H]2CC(=O)N(C)C2)ccn1 ZINC000623571265 363000674 /nfs/dbraw/zinc/00/06/74/363000674.db2.gz RFHPBCJUKIVHBR-LBPRGKRZSA-N 1 0 233.315 0.958 10 0 BCAERO Cc1nnsc1[C@H]1OC[C@H](C[NH3+])O1 ZINC000306838600 351148395 /nfs/dbraw/zinc/14/83/95/351148395.db2.gz XKRHOXYWBDPIIT-FSPLSTOPSA-N 1 0 201.251 0.219 10 0 BCAERO OCCc1cccc([C@@H]2COCC[NH2+]2)c1 ZINC000616642238 351153657 /nfs/dbraw/zinc/15/36/57/351153657.db2.gz VWRDWOLSXMSXHY-LBPRGKRZSA-N 1 0 207.273 0.882 10 0 BCAERO CN1CCO[C@H](c2ccc(C(N)=O)cc2)C1 ZINC000616643332 351156046 /nfs/dbraw/zinc/15/60/46/351156046.db2.gz HRBKVRUUWXVJNZ-NSHDSACASA-N 1 0 220.272 0.789 10 0 BCAERO CN1CCO[C@H](c2ccccc2C(N)=O)C1 ZINC000616643420 351156789 /nfs/dbraw/zinc/15/67/89/351156789.db2.gz LOYJRPSJACCLCJ-NSHDSACASA-N 1 0 220.272 0.789 10 0 BCAERO O=C(NCc1ccccc1)N1CC[NH2+]C1 ZINC000306842486 351157364 /nfs/dbraw/zinc/15/73/64/351157364.db2.gz CIBYMGRIUMBPDP-UHFFFAOYSA-N 1 0 205.261 0.759 10 0 BCAERO [NH3+]CCN1CCCOC[C@H]1c1ccnnc1 ZINC000616644722 351162420 /nfs/dbraw/zinc/16/24/20/351162420.db2.gz HAMYCYLDYRQJBP-NSHDSACASA-N 1 0 222.292 0.199 10 0 BCAERO Nc1cccc([C@@H]2CN(CC[NH3+])CCO2)c1 ZINC000616647113 351165120 /nfs/dbraw/zinc/16/51/20/351165120.db2.gz BJKDXVIXIWUHOJ-LBPRGKRZSA-N 1 0 221.304 0.601 10 0 BCAERO [NH3+]CCN1CCCOC[C@@H]1c1c[nH]cn1 ZINC000616645165 351166580 /nfs/dbraw/zinc/16/65/80/351166580.db2.gz HIGVXKMJVVSODH-SNVBAGLBSA-N 1 0 210.281 0.132 10 0 BCAERO [NH3+]CCN1CCCOC[C@H]1c1ncccn1 ZINC000616645990 351169542 /nfs/dbraw/zinc/16/95/42/351169542.db2.gz RCSNUUAERGUVMF-JTQLQIEISA-N 1 0 222.292 0.199 10 0 BCAERO Nc1ccc([C@H]2CN(CC[NH3+])CCO2)cc1 ZINC000616646300 351170481 /nfs/dbraw/zinc/17/04/81/351170481.db2.gz LPWQVDNJIBLWNL-GFCCVEGCSA-N 1 0 221.304 0.601 10 0 BCAERO NC(=O)c1ccccc1[C@H]1CN(CC[NH3+])CCO1 ZINC000616646243 351170635 /nfs/dbraw/zinc/17/06/35/351170635.db2.gz JKXUQSNSHLWLPA-GFCCVEGCSA-N 1 0 249.314 0.118 10 0 BCAERO OCCN1CC[NH2+][C@@H](c2cccnc2)C1 ZINC000616653732 351193659 /nfs/dbraw/zinc/19/36/59/351193659.db2.gz GXIXAOLOPOHXJA-LLVKDONJSA-N 1 0 207.277 0.020 10 0 BCAERO [NH3+]CCN1CCCOC[C@@H]1c1cnoc1 ZINC000616646824 351172069 /nfs/dbraw/zinc/17/20/69/351172069.db2.gz WNZRAFNKINPTOW-SNVBAGLBSA-N 1 0 211.265 0.397 10 0 BCAERO CC(C)(C)[N@@H+]1CCCO[C@H](S(N)(=O)=O)C1 ZINC000616650077 351173140 /nfs/dbraw/zinc/17/31/40/351173140.db2.gz SIQRQSNLSZZXET-MRVPVSSYSA-N 1 0 236.337 0.122 10 0 BCAERO CC(C)[N@@H+]1CCCO[C@H](c2cn[nH]n2)C1 ZINC000616650387 351174091 /nfs/dbraw/zinc/17/40/91/351174091.db2.gz ZGVZJUSKLQSZRU-JTQLQIEISA-N 1 0 210.281 0.977 10 0 BCAERO [NH3+]C[C@@H]1C[C@@H](F)CN1C(=O)C(F)(F)F ZINC000306851426 351174968 /nfs/dbraw/zinc/17/49/68/351174968.db2.gz QLIBZOLHVPRZFZ-UHNVWZDZSA-N 1 0 214.162 0.446 10 0 BCAERO CC[C@H](C)[C@H](O)[C@H]1CN(C)CC[N@@H+]1C ZINC000252029264 363015253 /nfs/dbraw/zinc/01/52/53/363015253.db2.gz YXZWIPPRVQPPBR-AXFHLTTASA-N 1 0 200.326 0.639 10 0 BCAERO CCOC(=O)N1CCCO[C@@H](CC[NH3+])C1 ZINC000616653209 351188165 /nfs/dbraw/zinc/18/81/65/351188165.db2.gz WEZXSHGMAMDMBS-VIFPVBQESA-N 1 0 216.281 0.583 10 0 BCAERO COC(=O)N1CCNC[C@H]1c1cocn1 ZINC000616636693 351127571 /nfs/dbraw/zinc/12/75/71/351127571.db2.gz XGHXKWRHDCNYNH-QMMMGPOBSA-N 1 0 211.221 0.387 10 0 BCAERO COC(=O)[C@@H]1C[NH2+]CCN1C(C)(C)C ZINC000616637413 351133133 /nfs/dbraw/zinc/13/31/33/351133133.db2.gz MMDCXPZCZMNSAF-QMMMGPOBSA-N 1 0 200.282 0.232 10 0 BCAERO CCOC(=O)N1CCNC[C@@H]1c1c[nH]cn1 ZINC000616637615 351134800 /nfs/dbraw/zinc/13/48/00/351134800.db2.gz PPYKKJDSZZWEIA-SECBINFHSA-N 1 0 224.264 0.513 10 0 BCAERO NC(=O)N1CC[NH2+]C[C@H]1c1cccc(CCO)c1 ZINC000616638772 351139912 /nfs/dbraw/zinc/13/99/12/351139912.db2.gz JJAAIIPPSDWUIR-LBPRGKRZSA-N 1 0 249.314 0.246 10 0 BCAERO NC(=O)N1CC[NH2+]C[C@@H]1c1ccc(N)cc1 ZINC000616638825 351142174 /nfs/dbraw/zinc/14/21/74/351142174.db2.gz IQIWXUQHVAKLBY-SNVBAGLBSA-N 1 0 220.276 0.294 10 0 BCAERO CC(=O)N[C@@H]1Cc2ccccc2N(CC[NH3+])C1 ZINC000616672145 351235278 /nfs/dbraw/zinc/23/52/78/351235278.db2.gz JHMIMUSJPACZSV-GFCCVEGCSA-N 1 0 233.315 0.513 10 0 BCAERO [NH3+]CCN1C[C@@H](CO)Cc2ccccc21 ZINC000616673566 351237333 /nfs/dbraw/zinc/23/73/33/351237333.db2.gz ZVVIYMJZCRMVAC-JTQLQIEISA-N 1 0 206.289 0.616 10 0 BCAERO CS(C)(=O)=NC(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000306864998 351243872 /nfs/dbraw/zinc/24/38/72/351243872.db2.gz LNTLKHUWUZGLIA-JGVFFNPUSA-N 1 0 218.322 0.758 10 0 BCAERO NC(=O)N1c2ccccc2NC[C@@H]1CC[NH3+] ZINC000616682770 351253419 /nfs/dbraw/zinc/25/34/19/351253419.db2.gz CCGKIMFQEZFWCO-QMMMGPOBSA-N 1 0 220.276 0.715 10 0 BCAERO [NH3+]CC[C@@H]1CNc2ccccc2N1CCO ZINC000616684714 351255842 /nfs/dbraw/zinc/25/58/42/351255842.db2.gz NWUQXSHVLQBFLY-SNVBAGLBSA-N 1 0 221.304 0.628 10 0 BCAERO COC(=O)[C@@H]1CC[N@@H+](C(C)C)CCO1 ZINC000616687457 351258345 /nfs/dbraw/zinc/25/83/45/351258345.db2.gz ZHEYYWBDPQNLSS-VIFPVBQESA-N 1 0 201.266 0.659 10 0 BCAERO [NH3+][C@H]1CC[C@@H](C(=O)NCCOC(F)(F)F)C1 ZINC000398138573 363018051 /nfs/dbraw/zinc/01/80/51/363018051.db2.gz OVDLTUIXKYADCQ-RQJHMYQMSA-N 1 0 240.225 0.766 10 0 BCAERO [NH3+]CCN1CCCO[C@@H](n2cccn2)C1 ZINC000616654404 351195979 /nfs/dbraw/zinc/19/59/79/351195979.db2.gz ALMGQJYMDSOJCU-SNVBAGLBSA-N 1 0 210.281 0.063 10 0 BCAERO O=C(NCCOC(F)(F)F)[C@@H]1CC[NH2+]C1 ZINC000398135924 363018388 /nfs/dbraw/zinc/01/83/88/363018388.db2.gz REQXJAKHOQNNLH-ZCFIWIBFSA-N 1 0 226.198 0.249 10 0 BCAERO [NH3+]CCN1CCOCC[C@H]1c1ncco1 ZINC000616657894 351199746 /nfs/dbraw/zinc/19/97/46/351199746.db2.gz ZGQSUSMNLXVRND-VIFPVBQESA-N 1 0 211.265 0.397 10 0 BCAERO CC(C)(C)OC(=O)NCC[C@@H]1CNCC[NH2+]1 ZINC000616655706 351200363 /nfs/dbraw/zinc/20/03/63/351200363.db2.gz YQPBUGIWHVCVKZ-SECBINFHSA-N 1 0 229.324 0.463 10 0 BCAERO OCC[N@@H+]1CCOC[C@H](c2ccncc2)C1 ZINC000616658194 351201437 /nfs/dbraw/zinc/20/14/37/351201437.db2.gz CACJTJWIJWBMFE-GFCCVEGCSA-N 1 0 222.288 0.490 10 0 BCAERO COC(=O)N1CCOC[C@H]([NH+](C)C)C1 ZINC000616660262 351203278 /nfs/dbraw/zinc/20/32/78/351203278.db2.gz VBYYMXISIXEHLA-MRVPVSSYSA-N 1 0 202.254 0.015 10 0 BCAERO CNC(=S)N1C[C@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000306859648 351203713 /nfs/dbraw/zinc/20/37/13/351203713.db2.gz BVXQABIGBQQELU-RKDXNWHRSA-N 1 0 213.350 0.374 10 0 BCAERO CCOC(=O)N1CCOCC[C@H]1CC[NH3+] ZINC000616659500 351207374 /nfs/dbraw/zinc/20/73/74/351207374.db2.gz TZYURMAGLFKLEV-SECBINFHSA-N 1 0 216.281 0.583 10 0 BCAERO CCOC(=O)N1CCOC[C@@H]([NH2+]C)C1 ZINC000616659725 351207977 /nfs/dbraw/zinc/20/79/77/351207977.db2.gz DMYJPRPBMOURGT-QMMMGPOBSA-N 1 0 202.254 0.063 10 0 BCAERO OCC[N@@H+]1CCOC[C@@H](c2ccno2)C1 ZINC000616661761 351212480 /nfs/dbraw/zinc/21/24/80/351212480.db2.gz XZHDBSLNFOFURW-VIFPVBQESA-N 1 0 212.249 0.083 10 0 BCAERO OCC[N@@H+]1CCOC[C@@H](Nc2ccccn2)C1 ZINC000616660774 351213404 /nfs/dbraw/zinc/21/34/04/351213404.db2.gz OSAWYQOYFQBGIS-NSHDSACASA-N 1 0 237.303 0.187 10 0 BCAERO OCc1ccc([C@@H]2C[NH2+]CCOC2)cc1 ZINC000616662396 351217417 /nfs/dbraw/zinc/21/74/17/351217417.db2.gz HREOTZFNSFMFJX-GFCCVEGCSA-N 1 0 207.273 0.882 10 0 BCAERO [NH3+]CCN1CCOC[C@H](c2cnco2)C1 ZINC000616664288 351219063 /nfs/dbraw/zinc/21/90/63/351219063.db2.gz UMQNGYNBMXBZPI-SECBINFHSA-N 1 0 211.265 0.049 10 0 BCAERO O=S(=O)(c1ccccc1)[C@@H]1C[NH2+]CCOC1 ZINC000616664343 351219188 /nfs/dbraw/zinc/21/91/88/351219188.db2.gz ZCPYJUCZAXQICJ-LLVKDONJSA-N 1 0 241.312 0.449 10 0 BCAERO CCOC(=O)N1CCO[C@H](C[NH3+])CC1 ZINC000616664658 351220487 /nfs/dbraw/zinc/22/04/87/351220487.db2.gz RJVBZIRJTRTWDY-QMMMGPOBSA-N 1 0 202.254 0.193 10 0 BCAERO NC(=O)c1ccc([C@@H]2CC[NH2+]CCO2)cc1 ZINC000616665098 351221551 /nfs/dbraw/zinc/22/15/51/351221551.db2.gz LMWAWKPWCFUESS-NSHDSACASA-N 1 0 220.272 0.837 10 0 BCAERO Cc1nc(C)c(C[NH2+]C[C@H]2CC(=O)N(C)C2)o1 ZINC000628341713 351285453 /nfs/dbraw/zinc/28/54/53/351285453.db2.gz QOLYEJLVDPVMNQ-SNVBAGLBSA-N 1 0 237.303 0.859 10 0 BCAERO [NH3+]C[C@H]1CSCCN1c1ccccn1 ZINC000306883488 351287267 /nfs/dbraw/zinc/28/72/67/351287267.db2.gz OXWZQHSTPAXQML-VIFPVBQESA-N 1 0 209.318 0.962 10 0 BCAERO C[C@H](CC(N)=S)[N@@H+]1C[C@@H](O)C(C)(C)C1 ZINC000306885380 351292084 /nfs/dbraw/zinc/29/20/84/351292084.db2.gz RHJPYYAEYROJID-HTQZYQBOSA-N 1 0 216.350 0.754 10 0 BCAERO CC[S@](C)(=O)=NC(=O)[C@H]1CC[NH2+][C@H]1C ZINC000306887120 351295288 /nfs/dbraw/zinc/29/52/88/351295288.db2.gz TXWNLXRPMNNBEV-FZVNPBSJSA-N 1 0 218.322 0.629 10 0 BCAERO O=c1ncc(Cl)cn1C[C@@H]1CCC[NH2+]1 ZINC000168185432 351335228 /nfs/dbraw/zinc/33/52/28/351335228.db2.gz CZEJILWSYUYNDA-QMMMGPOBSA-N 1 0 213.668 0.649 10 0 BCAERO C[C@@H]([NH3+])CN(C)c1ncc(Cl)cn1 ZINC000168153682 351325434 /nfs/dbraw/zinc/32/54/34/351325434.db2.gz OJUMRFUWPQHKHH-ZCFIWIBFSA-N 1 0 200.673 0.913 10 0 BCAERO COC(C)(C)C[C@@H](C)[NH2+][C@@H]1CCS(=O)(=O)C1 ZINC000034963682 351367685 /nfs/dbraw/zinc/36/76/85/351367685.db2.gz GDELPGBWQLAXRP-NXEZZACHSA-N 1 0 249.376 0.967 10 0 BCAERO O=S1(=O)CC[C@H](NC2=[NH+]CCCS2)C1 ZINC000034971983 351369945 /nfs/dbraw/zinc/36/99/45/351369945.db2.gz XLEWAVPVTKFFTM-ZETCQYMHSA-N 1 0 234.346 0.256 10 0 BCAERO C[C@@H]1CC[C@H]1NC(=O)[C@@H]1CSCC[NH2+]1 ZINC000306975103 351395113 /nfs/dbraw/zinc/39/51/13/351395113.db2.gz MYUVJTUVTGICIT-HLTSFMKQSA-N 1 0 214.334 0.606 10 0 BCAERO C[C@H]([NH2+]C[C@@H]1CCCO1)C(=O)N1CCCC1 ZINC000034936749 351350182 /nfs/dbraw/zinc/35/01/82/351350182.db2.gz RZIQDRPQOFQNJT-QWRGUYRKSA-N 1 0 226.320 0.766 10 0 BCAERO COCC[NH2+][C@@H](C)C(=O)N1CCCCC1 ZINC000034936705 351350387 /nfs/dbraw/zinc/35/03/87/351350387.db2.gz MEPTXCOJFOAQRS-JTQLQIEISA-N 1 0 214.309 0.623 10 0 BCAERO COC[C@H](C)[NH2+][C@@H](C)C(=O)NCC(C)C ZINC000034937685 351352123 /nfs/dbraw/zinc/35/21/23/351352123.db2.gz RGWYWRCXLJRZBP-UWVGGRQHSA-N 1 0 216.325 0.772 10 0 BCAERO COC[C@H](C)[NH2+][C@H](C)C(=O)NCC(C)C ZINC000034937684 351352255 /nfs/dbraw/zinc/35/22/55/351352255.db2.gz RGWYWRCXLJRZBP-VHSXEESVSA-N 1 0 216.325 0.772 10 0 BCAERO Cn1ccc(C(=O)N[C@@H]2CCC[C@H]2C[NH3+])n1 ZINC000231889866 351430795 /nfs/dbraw/zinc/43/07/95/351430795.db2.gz KQAJPVVKUXFJDU-DTWKUNHWSA-N 1 0 222.292 0.277 10 0 BCAERO C[C@H]1[NH2+]CCC[C@H]1NC(=O)c1ccn(C)n1 ZINC000231897557 351443487 /nfs/dbraw/zinc/44/34/87/351443487.db2.gz YFFJMMCOLGVVEB-RKDXNWHRSA-N 1 0 222.292 0.290 10 0 BCAERO CC(C)[S@@](=O)N1CC[C@@H]([NH3+])C[C@H]1C ZINC000307045834 351446517 /nfs/dbraw/zinc/44/65/17/351446517.db2.gz WPOBCSKTOZHZAI-JRKPZEMJSA-N 1 0 204.339 0.870 10 0 BCAERO C[C@H]1C[C@@H]([NH3+])CN(Cc2csnn2)C1 ZINC000306996723 351411874 /nfs/dbraw/zinc/41/18/74/351411874.db2.gz TWXLPYCCSGQIGI-JGVFFNPUSA-N 1 0 212.322 0.707 10 0 BCAERO CC[S@@](=O)N1CCC[C@@H]2C[NH2+]C[C@@H]21 ZINC000307001780 351414557 /nfs/dbraw/zinc/41/45/57/351414557.db2.gz APVCRUDEVBWOOE-VYUIOLGVSA-N 1 0 202.323 0.354 10 0 BCAERO C[C@@H]([NH3+])CC(=O)Nc1cc(Cl)[nH]n1 ZINC000307074675 351464633 /nfs/dbraw/zinc/46/46/33/351464633.db2.gz DVJASUHRHYRLKD-SCSAIBSYSA-N 1 0 202.645 0.739 10 0 BCAERO CO[C@H]1COCC[C@]1([NH3+])c1nccs1 ZINC000307133813 351493388 /nfs/dbraw/zinc/49/33/88/351493388.db2.gz YRPYFCNQAZHIFL-IONNQARKSA-N 1 0 214.290 0.732 10 0 BCAERO CO[C@H]1COCC[C@@]1([NH3+])c1nccs1 ZINC000307133812 351493439 /nfs/dbraw/zinc/49/34/39/351493439.db2.gz YRPYFCNQAZHIFL-CBAPKCEASA-N 1 0 214.290 0.732 10 0 BCAERO CC(C)([NH3+])C(=O)N[C@@H]1CSC1(C)C ZINC000307145539 351499382 /nfs/dbraw/zinc/49/93/82/351499382.db2.gz GNQLSYFQQVRZHB-ZCFIWIBFSA-N 1 0 202.323 0.734 10 0 BCAERO C[S@](=O)N1CC[NH2+][C@H]2CCCC[C@H]21 ZINC000307141691 351500110 /nfs/dbraw/zinc/50/01/10/351500110.db2.gz DIWMHDYDKLRMMI-RWEMILLDSA-N 1 0 202.323 0.496 10 0 BCAERO C[C@@H]1C[C@H]([NH2+][C@H]2COC[C@@H]2O)CS1 ZINC000307157310 351508280 /nfs/dbraw/zinc/50/82/80/351508280.db2.gz PYRUQIAQSGVJRG-XGEHTFHBSA-N 1 0 203.307 0.230 10 0 BCAERO COC[C@H]([NH3+])C(=O)N1CCCCC[C@@H]1C ZINC000088004511 351509609 /nfs/dbraw/zinc/50/96/09/351509609.db2.gz SNTFFYTWFSSEEB-UWVGGRQHSA-N 1 0 214.309 0.751 10 0 BCAERO O=C(N1CC[C@H]2CC[NH2+][C@H]2C1)C(F)(F)F ZINC000307099351 351477700 /nfs/dbraw/zinc/47/77/00/351477700.db2.gz RYANGMKIUDRKMV-RQJHMYQMSA-N 1 0 222.210 0.759 10 0 BCAERO COC[C@H]([NH3+])C(=O)NCC1CCCC1 ZINC000088002717 351480422 /nfs/dbraw/zinc/48/04/22/351480422.db2.gz MRQDAPKLWMPKLV-VIFPVBQESA-N 1 0 200.282 0.267 10 0 BCAERO COC[C@@H]([NH3+])C(=O)NCCc1ccccc1 ZINC000088002337 351482046 /nfs/dbraw/zinc/48/20/46/351482046.db2.gz NSVYSBHVQHAHDC-LLVKDONJSA-N 1 0 222.288 0.319 10 0 BCAERO COC[C@@H]([NH3+])C(=O)NCc1ccc(F)cc1 ZINC000088002373 351482131 /nfs/dbraw/zinc/48/21/31/351482131.db2.gz FIWZUEJHYCRQIR-SNVBAGLBSA-N 1 0 226.251 0.416 10 0 BCAERO COC[C@@H]([NH3+])C(=O)NCc1ccc(C)cc1 ZINC000088002421 351483007 /nfs/dbraw/zinc/48/30/07/351483007.db2.gz ASKLBVJQOWLLHL-LLVKDONJSA-N 1 0 222.288 0.585 10 0 BCAERO COC[C@@H]([NH3+])C(=O)NCc1cccc(Cl)c1 ZINC000088002788 351487652 /nfs/dbraw/zinc/48/76/52/351487652.db2.gz JDBIKPBGDSWHIC-SNVBAGLBSA-N 1 0 242.706 0.930 10 0 BCAERO [NH3+][C@@H](c1ccsn1)[C@@H]1COCCO1 ZINC000307116890 351487695 /nfs/dbraw/zinc/48/76/95/351487695.db2.gz GBHGYPXIOGYAKI-YUMQZZPRSA-N 1 0 200.263 0.558 10 0 BCAERO [NH3+][C@@H](c1ccsn1)[C@H]1COCCO1 ZINC000307116889 351487744 /nfs/dbraw/zinc/48/77/44/351487744.db2.gz GBHGYPXIOGYAKI-SFYZADRCSA-N 1 0 200.263 0.558 10 0 BCAERO C[C@]1(O)CCC[C@H]1SC1=[NH+]CCN1 ZINC000307162971 351528391 /nfs/dbraw/zinc/52/83/91/351528391.db2.gz HYAFTLTUYXLXQA-APPZFPTMSA-N 1 0 200.307 0.982 10 0 BCAERO C[C@]1(O)CCC[C@@H]1SC1=[NH+]CCN1 ZINC000307162972 351528465 /nfs/dbraw/zinc/52/84/65/351528465.db2.gz HYAFTLTUYXLXQA-CBAPKCEASA-N 1 0 200.307 0.982 10 0 BCAERO C[C@H]1[N@H+](Cc2ccccc2)CC[C@@]1(O)C(N)=O ZINC000307180725 351573289 /nfs/dbraw/zinc/57/32/89/351573289.db2.gz LRNWQXTUUJDVBT-MFKMUULPSA-N 1 0 234.299 0.497 10 0 BCAERO CO[C@@H]1C[NH2+][C@@H](C(=O)c2ccsn2)C1 ZINC000307186872 351588272 /nfs/dbraw/zinc/58/82/72/351588272.db2.gz NNYRRARXRXAUAR-POYBYMJQSA-N 1 0 212.274 0.703 10 0 BCAERO CC(=O)CC[N@H+]1C[C@@H]2CCN(C)C[C@@H]2C1 ZINC000307194061 351595023 /nfs/dbraw/zinc/59/50/23/351595023.db2.gz HXLNPIPHUIKLOJ-NWDGAFQWSA-N 1 0 210.321 0.849 10 0 BCAERO C[C@@H]1CSC[C@@H]1NC(=O)[C@@H]1CC[NH2+]1 ZINC000307216516 351617192 /nfs/dbraw/zinc/61/71/92/351617192.db2.gz AEWHKPNBIHLRPV-CSMHCCOUSA-N 1 0 200.307 0.216 10 0 BCAERO C[NH2+][C@H]1COC[C@@H]1C(=O)c1csc(C)n1 ZINC000307215807 351618528 /nfs/dbraw/zinc/61/85/28/351618528.db2.gz BKRICHMVRAXREK-YUMQZZPRSA-N 1 0 226.301 0.869 10 0 BCAERO C[S@](=O)NC1C(C)(C)C([NH3+])C1(C)C ZINC000307229908 351676794 /nfs/dbraw/zinc/67/67/94/351676794.db2.gz AOGAFLZQAAVKSN-RBEJAIPDSA-N 1 0 204.339 0.631 10 0 BCAERO C[C@H](CO)CN1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000252727556 538101007 /nfs/dbraw/zinc/10/10/07/538101007.db2.gz ISEGXLLSGBALLO-QJPTWQEYSA-N 1 0 212.337 0.783 10 0 BCAERO CC[C@](C)(O)C[N@@H+]1CCC[C@@H](O)[C@@H]1C ZINC000307232760 351688027 /nfs/dbraw/zinc/68/80/27/351688027.db2.gz DSGNOEGZJHHSGU-AXFHLTTASA-N 1 0 201.310 0.993 10 0 BCAERO CO[C@@H]1C[NH2+][C@@](C)(C(=O)N[C@@H](C)C(C)C)C1 ZINC000637876218 351741514 /nfs/dbraw/zinc/74/15/14/351741514.db2.gz JGKFVOMZGSNMQD-JBLDHEPKSA-N 1 0 228.336 0.914 10 0 BCAERO CC(C)[C@H](C)NC(=O)c1cnc(C[NH3+])nc1 ZINC000637877381 351742899 /nfs/dbraw/zinc/74/28/99/351742899.db2.gz RFVFEHNNXVCDQB-QMMMGPOBSA-N 1 0 222.292 0.710 10 0 BCAERO OC[C@@H]1CCC[N@@H+]([C@H]2CCO[C@]23CCOC3)C1 ZINC000725268854 538101266 /nfs/dbraw/zinc/10/12/66/538101266.db2.gz CUHYWBAHJYQSBC-AGIUHOORSA-N 1 0 241.331 0.639 10 0 BCAERO C[C@H](NC(=O)[C@]1(C)C[NH2+]CCO1)[C@@H]1CCCO1 ZINC000637930373 351805752 /nfs/dbraw/zinc/80/57/52/351805752.db2.gz WTTVUVRLNBWQNR-NHCYSSNCSA-N 1 0 242.319 0.049 10 0 BCAERO C[C@@H]1C[NH2+]CCN1[C@H]1CCO[C@@]12CCOC2 ZINC000725268794 538101213 /nfs/dbraw/zinc/10/12/13/538101213.db2.gz AVBHFEWUZSDYHD-GRYCIOLGSA-N 1 0 226.320 0.228 10 0 BCAERO [NH3+]C[C@H](O)CNc1ncc(F)cc1F ZINC000307251082 351770430 /nfs/dbraw/zinc/77/04/30/351770430.db2.gz QEMCZDQCUYQHDH-LURJTMIESA-N 1 0 203.192 0.091 10 0 BCAERO C[C@H](NC(=O)[C@@]1(C)C[NH2+]CCO1)[C@@H]1CCCO1 ZINC000637930372 351805620 /nfs/dbraw/zinc/80/56/20/351805620.db2.gz WTTVUVRLNBWQNR-JBLDHEPKSA-N 1 0 242.319 0.049 10 0 BCAERO C[C@H]([NH3+])c1cnc(-c2cn(C)nn2)s1 ZINC000307270494 351819191 /nfs/dbraw/zinc/81/91/91/351819191.db2.gz ACIBQYNQYPRNGY-YFKPBYRVSA-N 1 0 209.278 0.958 10 0 BCAERO Cn1cc(C[NH2+]C2CCS(=O)CC2)cn1 ZINC000042354213 180648672 /nfs/dbraw/zinc/64/86/72/180648672.db2.gz HLJVBNBVUSNYMD-UHFFFAOYSA-N 1 0 227.333 0.421 10 0 BCAERO CC[NH2+][C@H](C)C(=O)N1CCC([C@H](C)O)CC1 ZINC000637975334 351852702 /nfs/dbraw/zinc/85/27/02/351852702.db2.gz JPYLVEPSFJWCCB-ZJUUUORDSA-N 1 0 228.336 0.604 10 0 BCAERO [NH3+]C[C@@]1(C(=O)N[C@H]2CCCOC2)CCCOC1 ZINC000637981785 351856224 /nfs/dbraw/zinc/85/62/24/351856224.db2.gz KWOVMVWKVCVPJH-JQWIXIFHSA-N 1 0 242.319 0.037 10 0 BCAERO O=C(CCC1C[NH2+]C1)N[C@@H]1CCCOC1 ZINC000637982753 351858754 /nfs/dbraw/zinc/85/87/54/351858754.db2.gz XCIJHBOZKXAZGP-SNVBAGLBSA-N 1 0 212.293 0.281 10 0 BCAERO CCCNC(=O)N1CCC2(CC1)OCC[C@@H]2[NH3+] ZINC000725269193 538101533 /nfs/dbraw/zinc/10/15/33/538101533.db2.gz FRKBOXOVZLXTNE-JTQLQIEISA-N 1 0 241.335 0.688 10 0 BCAERO Cn1ncc(C[C@H]([NH3+])[C@@H]2CCCS2)n1 ZINC000307305004 351931896 /nfs/dbraw/zinc/93/18/96/351931896.db2.gz QZQRXLWUJGQVBK-IUCAKERBSA-N 1 0 212.322 0.581 10 0 BCAERO C[C@H]([NH3+])[C@@H]1CN(C2CSC2)CCO1 ZINC000307306596 351933286 /nfs/dbraw/zinc/93/32/86/351933286.db2.gz TZYFGVJZTPHKQT-CBAPKCEASA-N 1 0 202.323 0.150 10 0 BCAERO C[C@H]([NH3+])[C@H]1CN(C2CSC2)CCO1 ZINC000307306603 351933430 /nfs/dbraw/zinc/93/34/30/351933430.db2.gz TZYFGVJZTPHKQT-IONNQARKSA-N 1 0 202.323 0.150 10 0 BCAERO CC[NH2+][C@H](C)C(=O)NC[C@H]1CCCC[C@H]1O ZINC000638011382 351887070 /nfs/dbraw/zinc/88/70/70/351887070.db2.gz QDTIAKCPTMTGOS-GMTAPVOTSA-N 1 0 228.336 0.652 10 0 BCAERO Cn1cc(NC(=O)C2CCC([NH3+])CC2)cn1 ZINC000037482143 180657430 /nfs/dbraw/zinc/65/74/30/180657430.db2.gz RDGOBBCCQGWYAV-UHFFFAOYSA-N 1 0 222.292 0.876 10 0 BCAERO O=C(N[C@@H]1CCOC12CC[NH2+]CC2)C1CCC1 ZINC000725269517 538101716 /nfs/dbraw/zinc/10/17/16/538101716.db2.gz MVQZPJYRKCGPGA-LLVKDONJSA-N 1 0 238.331 0.814 10 0 BCAERO [NH3+][C@H]1CC=C(C(=O)N2CCn3ccnc3C2)C1 ZINC000638096989 351977625 /nfs/dbraw/zinc/97/76/25/351977625.db2.gz PPNZFNZJDIJENI-JTQLQIEISA-N 1 0 232.287 0.273 10 0 BCAERO CC[C@@H](NC[C@H]1C[NH2+]CC12CCC2)C(=O)OC ZINC000725269531 538101696 /nfs/dbraw/zinc/10/16/96/538101696.db2.gz VGRAEAKZTCXMNX-GHMZBOCLSA-N 1 0 240.347 0.917 10 0 BCAERO [NH3+]Cc1cccc(NC(=O)[C@H]2CCOC2)n1 ZINC000725270357 538101947 /nfs/dbraw/zinc/10/19/47/538101947.db2.gz IQTIWZOGTWIRMW-QMMMGPOBSA-N 1 0 221.260 0.515 10 0 BCAERO CS(C)(=O)=NCC1([NH3+])CCOCC1 ZINC000307334513 352053438 /nfs/dbraw/zinc/05/34/38/352053438.db2.gz QTBFBGHXNFUMRM-UHFFFAOYSA-N 1 0 206.311 0.222 10 0 BCAERO CC(C)[S@@](=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000307336451 352053633 /nfs/dbraw/zinc/05/36/33/352053633.db2.gz FHWNLUYZFTYDNM-VYUIOLGVSA-N 1 0 204.339 0.741 10 0 BCAERO C[S@](=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000307329409 352029699 /nfs/dbraw/zinc/02/96/99/352029699.db2.gz WYQHHIGJKDLFBK-RVBZMBCESA-N 1 0 202.323 0.341 10 0 BCAERO C[S@](=O)N1C[C@H]2CCC[C@]2(C[NH3+])C1 ZINC000307329411 352030112 /nfs/dbraw/zinc/03/01/12/352030112.db2.gz WYQHHIGJKDLFBK-ZDMBXUJBSA-N 1 0 202.323 0.341 10 0 BCAERO C[C@@H]1OCC[C@@H]1NC(=O)CCC1C[NH2+]C1 ZINC000638170881 352037954 /nfs/dbraw/zinc/03/79/54/352037954.db2.gz RILOTNZSLBUVOJ-WPRPVWTQSA-N 1 0 212.293 0.280 10 0 BCAERO CC[NH2+][C@H](C)C(=O)N[C@H]1CCO[C@H]1C ZINC000638171416 352038982 /nfs/dbraw/zinc/03/89/82/352038982.db2.gz VTOUCPPXJPSBMM-VGMNWLOBSA-N 1 0 200.282 0.278 10 0 BCAERO C[NH+]1CCC(OC(=O)c2cc(N)c[nH]2)CC1 ZINC000041046673 187602708 /nfs/dbraw/zinc/60/27/08/187602708.db2.gz HULAROXFIWVQOQ-UHFFFAOYSA-N 1 0 223.276 0.848 10 0 BCAERO Cc1cc(C)c(C(=O)N2CC[C@@H]([NH3+])[C@H]2C)c(=O)[nH]1 ZINC000638234293 352085962 /nfs/dbraw/zinc/08/59/62/352085962.db2.gz ISJQISKQLZMINH-NXEZZACHSA-N 1 0 249.314 0.966 10 0 BCAERO CS(C)(=O)=NCc1csc(C[NH3+])n1 ZINC000307340974 352089754 /nfs/dbraw/zinc/08/97/54/352089754.db2.gz JKAYQIXHYACKKO-UHFFFAOYSA-N 1 0 219.335 0.829 10 0 BCAERO CC[NH2+][C@H](C)C(=O)NCCn1cc(C)cn1 ZINC000638278624 352114505 /nfs/dbraw/zinc/11/45/05/352114505.db2.gz SOHXQYLBLJLFJQ-SNVBAGLBSA-N 1 0 224.308 0.306 10 0 BCAERO O=c1[nH]ncc(NCC2CC[NH2+]CC2)c1Cl ZINC000073736192 187598182 /nfs/dbraw/zinc/59/81/82/187598182.db2.gz GJVKTRHHZSRPFX-UHFFFAOYSA-N 1 0 242.710 0.835 10 0 BCAERO CC(C)C[C@H](C)OC[C@@H](O)C[NH2+]CCC(N)=O ZINC000037891604 187598742 /nfs/dbraw/zinc/59/87/42/187598742.db2.gz LMTVWUSJDAZDBS-QWRGUYRKSA-N 1 0 246.351 0.264 10 0 BCAERO COC1CC(C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)C1 ZINC000638331613 352153796 /nfs/dbraw/zinc/15/37/96/352153796.db2.gz LJLMSMHYDJVDAQ-SEZDTBSWSA-N 1 0 212.293 0.217 10 0 BCAERO Cn1ccnc(NC[C@@H]2CCC[NH2+]C2)c1=O ZINC000061752373 187612763 /nfs/dbraw/zinc/61/27/63/187612763.db2.gz KXBQMINAERNBSN-SECBINFHSA-N 1 0 222.292 0.192 10 0 BCAERO Cc1n[nH]c(C)c1C(=O)N1CC[C@H]([NH3+])C1 ZINC000050228326 187634560 /nfs/dbraw/zinc/63/45/60/187634560.db2.gz DLTCMMFVSCUSES-QMMMGPOBSA-N 1 0 208.265 0.200 10 0 BCAERO CO[C@@H](C[NH2+][C@@H]1CCCNC1=O)C1CC1 ZINC000638457959 352268946 /nfs/dbraw/zinc/26/89/46/352268946.db2.gz ANFLAXXRWRQWRW-ZJUUUORDSA-N 1 0 212.293 0.280 10 0 BCAERO CCC[C@@H](CNC(=O)[C@H]1CC[NH2+]C1)OCC ZINC000638458260 352269376 /nfs/dbraw/zinc/26/93/76/352269376.db2.gz QOECGCHDUUVHRF-QWRGUYRKSA-N 1 0 228.336 0.917 10 0 BCAERO CN(C(=O)c1cccnn1)[C@H](C[NH3+])C(F)(F)F ZINC000638434123 352242981 /nfs/dbraw/zinc/24/29/81/352242981.db2.gz HWSZZDUDYBDQQQ-SSDOTTSWSA-N 1 0 248.208 0.438 10 0 BCAERO COC1CCC(NC(=O)[C@@H]2CC[NH2+]C2)CC1 ZINC000638444824 352251333 /nfs/dbraw/zinc/25/13/33/352251333.db2.gz JRPQZGPLVTZSOD-KPPDAEKUSA-N 1 0 226.320 0.670 10 0 BCAERO CCN1CCO[C@H](C[NH2+][C@@H](C)[C@H]2CCOC2)C1 ZINC000252761119 538102526 /nfs/dbraw/zinc/10/25/26/538102526.db2.gz XFQKNEXPFAZUTI-RWMBFGLXSA-N 1 0 242.363 0.722 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)NCC1CC=CC1 ZINC000638493684 352310822 /nfs/dbraw/zinc/31/08/22/352310822.db2.gz KYKPWKBLBRQPSR-MWLCHTKSSA-N 1 0 208.305 0.924 10 0 BCAERO C[S@@](=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000307355503 352322967 /nfs/dbraw/zinc/32/29/67/352322967.db2.gz UITPYQXXFGWWIE-VYUIOLGVSA-N 1 0 202.323 0.211 10 0 BCAERO Cn1ccc(NC(=O)[C@](C)([NH3+])C2CC2)n1 ZINC000037479111 180711583 /nfs/dbraw/zinc/71/15/83/180711583.db2.gz NHROINWNGCMGJN-SNVBAGLBSA-N 1 0 208.265 0.486 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)NCC2([NH3+])CCOCC2)O1 ZINC000638539459 352369219 /nfs/dbraw/zinc/36/92/19/352369219.db2.gz DJSPKWAIAYYDEP-NXEZZACHSA-N 1 0 242.319 0.178 10 0 BCAERO CC(C)S(=O)(=O)N1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000725271424 538102964 /nfs/dbraw/zinc/10/29/64/538102964.db2.gz MNPJCZLCAZTCBS-ZJUUUORDSA-N 1 0 234.365 0.641 10 0 BCAERO CC(C)S(=O)(=O)N1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000725271423 538102994 /nfs/dbraw/zinc/10/29/94/538102994.db2.gz MNPJCZLCAZTCBS-VHSXEESVSA-N 1 0 234.365 0.641 10 0 BCAERO COCCNC(=O)NC[C@H]1CC[NH2+]C[C@@H]1C ZINC000725271415 538103158 /nfs/dbraw/zinc/10/31/58/538103158.db2.gz MLKZOCLITVPXRH-VHSXEESVSA-N 1 0 229.324 0.178 10 0 BCAERO CN1CCO[C@H](C[NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000638570899 352399152 /nfs/dbraw/zinc/39/91/52/352399152.db2.gz IPXDZGRYXQTQKK-YVECIDJPSA-N 1 0 224.348 0.953 10 0 BCAERO CN1CC[NH2+][C@@H](CCNC(=O)OC(C)(C)C)C1 ZINC000096986183 187710812 /nfs/dbraw/zinc/71/08/12/187710812.db2.gz IGCDPEVZNQWQQB-JTQLQIEISA-N 1 0 243.351 0.805 10 0 BCAERO CC1(C)SC[C@@H]1NC(=O)C1([NH3+])CC1 ZINC000307362739 352446191 /nfs/dbraw/zinc/44/61/91/352446191.db2.gz JDXLOEZPKLXHDU-LURJTMIESA-N 1 0 200.307 0.488 10 0 BCAERO C[C@H]1CCCC[N@@H+]1CC[C@@H]([NH3+])C(=O)[O-] ZINC000218552232 538103708 /nfs/dbraw/zinc/10/37/08/538103708.db2.gz AMTIHCGBZSVRAT-DTWKUNHWSA-N 1 0 200.282 0.663 10 0 BCAERO C[C@@H]1CC[NH2+]C[C@@H]1CNC(=O)C(F)(F)F ZINC000307378516 352478261 /nfs/dbraw/zinc/47/82/61/352478261.db2.gz XWIOXPPYHONIAR-RNFRBKRXSA-N 1 0 224.226 0.911 10 0 BCAERO C[C@H](O)[C@](C)(C[NH3+])c1ncc(Cl)cn1 ZINC000307386956 352547395 /nfs/dbraw/zinc/54/73/95/352547395.db2.gz CBMFTPVBLBSJOV-RCOVLWMOSA-N 1 0 215.684 0.727 10 0 BCAERO C[C@H](O)[C@@](C)(C[NH3+])c1ncc(Cl)cn1 ZINC000307386954 352547485 /nfs/dbraw/zinc/54/74/85/352547485.db2.gz CBMFTPVBLBSJOV-IMTBSYHQSA-N 1 0 215.684 0.727 10 0 BCAERO C[C@H]([C@H](C)O)[N@@H+]1CC[C@@H](O)C(C)(C)C1 ZINC000307387307 352547501 /nfs/dbraw/zinc/54/75/01/352547501.db2.gz CKCLJRQGORPTPO-KXUCPTDWSA-N 1 0 201.310 0.849 10 0 BCAERO CC(C)[C@@H](C)C(=O)N1CC(F)(C[NH3+])C1 ZINC000725272298 538104083 /nfs/dbraw/zinc/10/40/83/538104083.db2.gz BFDCSEHXQYPHPI-MRVPVSSYSA-N 1 0 202.273 0.788 10 0 BCAERO CC(C)[C@@H]([NH3+])CC(=O)N1CCO[C@H](CCF)C1 ZINC000638682877 352520143 /nfs/dbraw/zinc/52/01/43/352520143.db2.gz BDGMIKPKRWHFNK-MNOVXSKESA-N 1 0 246.326 0.947 10 0 BCAERO O=C(N[C@@H]1CO[C@@H](C2CC2)C1)[C@H]1CCC[NH2+]C1 ZINC000638695047 352531836 /nfs/dbraw/zinc/53/18/36/352531836.db2.gz KTPQVKBWHBPWKW-SDDRHHMPSA-N 1 0 238.331 0.670 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@@H]1CO[C@H](C2CC2)C1 ZINC000638695948 352533375 /nfs/dbraw/zinc/53/33/75/352533375.db2.gz SHDXGIGDZRBVJH-KLHWPWHYSA-N 1 0 238.331 0.526 10 0 BCAERO C[C@H]1C[N@H+](C)CC[C@H]1NC(=O)C(F)F ZINC000300043549 352553235 /nfs/dbraw/zinc/55/32/35/352553235.db2.gz XSUCTVVBTQGYLZ-NKWVEPMBSA-N 1 0 206.236 0.708 10 0 BCAERO C[C@@H]1C[C@@H]([NH2+]C2CS(=O)(=O)C2)CS1 ZINC000307390288 352553853 /nfs/dbraw/zinc/55/38/53/352553853.db2.gz SCHHXIKGJCSEHE-RNFRBKRXSA-N 1 0 221.347 0.267 10 0 BCAERO C[C@H]([NH3+])[C@](C)(O)c1c(Br)cnn1C ZINC000307444304 352597182 /nfs/dbraw/zinc/59/71/82/352597182.db2.gz UTOWRQUWEPXLKA-XNCJUZBTSA-N 1 0 248.124 0.737 10 0 BCAERO C[C@H]([NH3+])[C@@](C)(O)c1c(Br)cnn1C ZINC000307444310 352597353 /nfs/dbraw/zinc/59/73/53/352597353.db2.gz UTOWRQUWEPXLKA-YLWLKBPMSA-N 1 0 248.124 0.737 10 0 BCAERO CCC(C)(C)NC(=O)N1CC(F)(C[NH3+])C1 ZINC000725273061 538104491 /nfs/dbraw/zinc/10/44/91/538104491.db2.gz QAPALZOBIXIUGB-UHFFFAOYSA-N 1 0 217.288 0.867 10 0 BCAERO CC1(C)SC[C@H]1N1C[C@H]([NH3+])CC1=O ZINC000307474719 352615976 /nfs/dbraw/zinc/61/59/76/352615976.db2.gz JQLNCDUHAFMJDY-RNFRBKRXSA-N 1 0 200.307 0.440 10 0 BCAERO COC[C@@H]1C[NH2+]CCN1C(=O)CC(C)C ZINC000725272725 538104590 /nfs/dbraw/zinc/10/45/90/538104590.db2.gz KOTTWWRJARXREC-JTQLQIEISA-N 1 0 214.309 0.479 10 0 BCAERO C[C@H](NC1=N[C@H](C)[C@@H](C)S1)C(N)=O ZINC000307392657 352569120 /nfs/dbraw/zinc/56/91/20/352569120.db2.gz ZIPHCMUCCDWWPA-NGJCXOISSA-N 1 0 201.295 0.330 10 0 BCAERO O=C(NC1(C(F)F)CC1)[C@@H]1CC[NH2+]C1 ZINC000638724262 352579042 /nfs/dbraw/zinc/57/90/42/352579042.db2.gz BOIDLBMLFMDKAW-ZCFIWIBFSA-N 1 0 204.220 0.510 10 0 BCAERO [NH3+][C@H]1CCC[C@@H](C(=O)NCc2ccc[nH]c2=O)C1 ZINC000638725917 352579880 /nfs/dbraw/zinc/57/98/80/352579880.db2.gz MIPLQNQJWKSZLM-KOLCDFICSA-N 1 0 249.314 0.921 10 0 BCAERO C[C@]1(O)CC[NH2+]C[C@H]1SC1COC1 ZINC000300953818 352580569 /nfs/dbraw/zinc/58/05/69/352580569.db2.gz ZZJKQUAZAOTZMN-BDAKNGLRSA-N 1 0 203.307 0.231 10 0 BCAERO C[C@@]1(O)CC[NH2+]C[C@@H]1SC1COC1 ZINC000300953821 352580750 /nfs/dbraw/zinc/58/07/50/352580750.db2.gz ZZJKQUAZAOTZMN-DTWKUNHWSA-N 1 0 203.307 0.231 10 0 BCAERO NS(=O)(=O)C[C@]12CC[NH2+][C@@H]1CCCC2 ZINC000725273191 538104666 /nfs/dbraw/zinc/10/46/66/538104666.db2.gz WXXHUJSOAFDFRK-BDAKNGLRSA-N 1 0 218.322 0.197 10 0 BCAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)NCc1ccc[nH]c1=O ZINC000638724956 352581939 /nfs/dbraw/zinc/58/19/39/352581939.db2.gz DHGAFKAOQAORBJ-PSASIEDQSA-N 1 0 237.303 0.777 10 0 BCAERO CC1(C)[C@H]([NH3+])[C@]12CCC[C@H]2S(C)(=O)=O ZINC000301010760 352583740 /nfs/dbraw/zinc/58/37/40/352583740.db2.gz OEMYIUWKQSHMOH-KHQFGBGNSA-N 1 0 217.334 0.937 10 0 BCAERO Cn1cc([C@H]([NH3+])Cc2cncs2)nn1 ZINC000307542260 352646094 /nfs/dbraw/zinc/64/60/94/352646094.db2.gz PVORGJWQEWBCCX-SSDOTTSWSA-N 1 0 209.278 0.514 10 0 BCAERO CC(C)CNC(=O)N1CC(F)(C[NH3+])C1 ZINC000725273326 538104760 /nfs/dbraw/zinc/10/47/60/538104760.db2.gz VFYGMDHHVOZHKD-UHFFFAOYSA-N 1 0 203.261 0.335 10 0 BCAERO CCn1ncnc1C(=O)[C@]1(C)CC[NH2+]C1 ZINC000307559867 352649219 /nfs/dbraw/zinc/64/92/19/352649219.db2.gz OZBBPUUNSXOMHZ-SNVBAGLBSA-N 1 0 208.265 0.480 10 0 BCAERO c1nc2ncnc(NC[C@@H]3CCC[NH2+]C3)c2[nH]1 ZINC000044503140 352654047 /nfs/dbraw/zinc/65/40/47/352654047.db2.gz JQVGSGMDHNFZLW-MRVPVSSYSA-N 1 0 232.291 0.764 10 0 BCAERO C[C@H]1CCC[C@@H]1[NH2+]C1CS(=O)(=O)C1 ZINC000307574101 352658223 /nfs/dbraw/zinc/65/82/23/352658223.db2.gz GTZLPNLUGXZLOL-CBAPKCEASA-N 1 0 203.307 0.562 10 0 BCAERO Cc1ccc(NC[C@@H]([NH3+])C(N)=O)cc1Cl ZINC000232426824 352661463 /nfs/dbraw/zinc/66/14/63/352661463.db2.gz ILFIZEWAQFEMBL-SECBINFHSA-N 1 0 227.695 0.873 10 0 BCAERO C[C@@H]1C[NH+]=C(S[C@H]2CCC[C@H]2O)N1 ZINC000307588013 352661908 /nfs/dbraw/zinc/66/19/08/352661908.db2.gz VVOOROSKSYJNKU-PRJMDXOYSA-N 1 0 200.307 0.981 10 0 BCAERO C[C@@H]1C[NH+]=C(S[C@@H]2CCC[C@H]2O)N1 ZINC000307588010 352662030 /nfs/dbraw/zinc/66/20/30/352662030.db2.gz VVOOROSKSYJNKU-BWZBUEFSSA-N 1 0 200.307 0.981 10 0 BCAERO NC(=O)[C@@H]([NH3+])CNc1ccc(Cl)cc1 ZINC000232436953 352665827 /nfs/dbraw/zinc/66/58/27/352665827.db2.gz HZPOYMBYOASTES-QMMMGPOBSA-N 1 0 213.668 0.565 10 0 BCAERO [NH3+][C@H]1CN(Cc2coc(Br)c2)C1=O ZINC000307598284 352665932 /nfs/dbraw/zinc/66/59/32/352665932.db2.gz OSBMXMWSKNZWDI-LURJTMIESA-N 1 0 245.076 0.712 10 0 BCAERO [NH3+][C@@H]1CC[C@H]2CN(C(=O)C(F)(F)F)C[C@H]12 ZINC000307602838 352667738 /nfs/dbraw/zinc/66/77/38/352667738.db2.gz XSOBBJUEVIMDKZ-LYFYHCNISA-N 1 0 222.210 0.744 10 0 BCAERO [NH3+][C@H](CO)COCOCc1ccccc1 ZINC000307606717 352668214 /nfs/dbraw/zinc/66/82/14/352668214.db2.gz BMEWXTUCKSZZPJ-LLVKDONJSA-N 1 0 211.261 0.497 10 0 BCAERO [NH3+]C1(CC(=O)N[C@@H]2CCCSC2)CC1 ZINC000307483388 352620184 /nfs/dbraw/zinc/62/01/84/352620184.db2.gz ACTKGHWLPPRDMY-MRVPVSSYSA-N 1 0 214.334 0.880 10 0 BCAERO CC1(C)SC[C@@H]1[NH2+][C@H]1COC[C@@H]1O ZINC000307493718 352624763 /nfs/dbraw/zinc/62/47/63/352624763.db2.gz AVPZKYUMJDBVTF-FXQIFTODSA-N 1 0 203.307 0.230 10 0 BCAERO CCNC(=O)c1nc(CC[NH3+])sc1C ZINC000725273261 538104869 /nfs/dbraw/zinc/10/48/69/538104869.db2.gz RFXIAGCVSLADFK-UHFFFAOYSA-N 1 0 213.306 0.702 10 0 BCAERO C[C@@H]1[NH+]=C(NC2CS(=O)(=O)C2)S[C@H]1C ZINC000307499723 352626673 /nfs/dbraw/zinc/62/66/73/352626673.db2.gz LLZGVCIHWRKTBE-WDSKDSINSA-N 1 0 234.346 0.253 10 0 BCAERO CC(C)[S@@](=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000307623908 352694295 /nfs/dbraw/zinc/69/42/95/352694295.db2.gz IIUFZEBKKKBLEA-JRKPZEMJSA-N 1 0 204.339 0.728 10 0 BCAERO CCC[NH2+][C@H]1CCN(S(C)(=O)=O)C[C@H]1C ZINC000253153212 538105061 /nfs/dbraw/zinc/10/50/61/538105061.db2.gz KUQKCFMHZXTYIK-ZJUUUORDSA-N 1 0 234.365 0.656 10 0 BCAERO CCC[NH2+][C@@H]1CCN(S(C)(=O)=O)C[C@H]1C ZINC000253153211 538105066 /nfs/dbraw/zinc/10/50/66/538105066.db2.gz KUQKCFMHZXTYIK-NXEZZACHSA-N 1 0 234.365 0.656 10 0 BCAERO CC(C)[S@](=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000307618296 352675705 /nfs/dbraw/zinc/67/57/05/352675705.db2.gz SXMZMWFKVFZKFR-ZDMBXUJBSA-N 1 0 204.339 0.741 10 0 BCAERO CN(C)C(=O)[C@@H]1CC[N@@H+]([C@H]2CCCC[C@H]2O)C1 ZINC000411945968 191231437 /nfs/dbraw/zinc/23/14/37/191231437.db2.gz SBVYVGHERHZQNN-GRYCIOLGSA-N 1 0 240.347 0.700 10 0 BCAERO CC(C)C[C@@H](C)[N@@H+]1CCNC[C@H](O)C1 ZINC000307642699 352736251 /nfs/dbraw/zinc/73/62/51/352736251.db2.gz KJVZDBKBQPZXRN-MNOVXSKESA-N 1 0 200.326 0.687 10 0 BCAERO CC(C)C[C@H](C)[N@@H+]1CCNC[C@@H](O)C1 ZINC000307642701 352736279 /nfs/dbraw/zinc/73/62/79/352736279.db2.gz KJVZDBKBQPZXRN-WDEREUQCSA-N 1 0 200.326 0.687 10 0 BCAERO C[C@H]1C[C@H](NC(=O)C2C[NH2+]C2)CS1 ZINC000307651087 352742642 /nfs/dbraw/zinc/74/26/42/352742642.db2.gz RHYRMMTXLRKJRV-XPUUQOCRSA-N 1 0 200.307 0.216 10 0 BCAERO C[C@@H]1CN(C(=O)/C=C/C[NH3+])C[C@H](C)S1 ZINC000307660146 352744992 /nfs/dbraw/zinc/74/49/92/352744992.db2.gz UDBTUJURSUZEFK-WTSWQZHKSA-N 1 0 214.334 0.854 10 0 BCAERO CC(C)C[NH+]1CCN([C@@H]2CCOC[C@H]2O)CC1 ZINC000725273369 538105171 /nfs/dbraw/zinc/10/51/71/538105171.db2.gz XGMAMPNQYHSVJC-CHWSQXEVSA-N 1 0 242.363 0.410 10 0 BCAERO CCN1CCO[C@H](C[NH2+][C@@H](COC)C(C)C)C1 ZINC000092052934 538105985 /nfs/dbraw/zinc/10/59/85/538105985.db2.gz SPCCRUGKPDZWHL-OLZOCXBDSA-N 1 0 244.379 0.968 10 0 BCAERO CCN1CCO[C@@H](C[NH2+]Cc2ccnn2C)C1 ZINC000092052772 538106001 /nfs/dbraw/zinc/10/60/01/538106001.db2.gz HFXKNKSLPXDYHG-LBPRGKRZSA-N 1 0 238.335 0.230 10 0 BCAERO CO[C@H]1C[C@@H](CNC(=O)C[C@H]([NH3+])C(C)C)C1 ZINC000638804053 352978452 /nfs/dbraw/zinc/97/84/52/352978452.db2.gz ALILOHZDPYLQAV-AXFHLTTASA-N 1 0 228.336 0.901 10 0 BCAERO C[C@@H](CO)[N@@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000306195908 352991004 /nfs/dbraw/zinc/99/10/04/352991004.db2.gz PDSMFXKOTVLIAR-BQBZGAKWSA-N 1 0 213.199 0.366 10 0 BCAERO C/C(=C\Cl)C[N@@H+]1C[C@H](O)[C@@H](CO)C1 ZINC000306462483 353016600 /nfs/dbraw/zinc/01/66/00/353016600.db2.gz HPNALHSFDOMDKT-HFWKKFGRSA-N 1 0 205.685 0.414 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N[C@@H]1CCCC12CC2 ZINC000638835711 353021581 /nfs/dbraw/zinc/02/15/81/353021581.db2.gz ZSBRHXJPPDMFAV-RKDXNWHRSA-N 1 0 212.293 0.409 10 0 BCAERO CS(=O)(=O)[C@H]1CCC[C@@H](C2C[NH2+]C2)C1 ZINC000306547268 353023718 /nfs/dbraw/zinc/02/37/18/353023718.db2.gz XDJWELZXDRRUHW-SCZZXKLOSA-N 1 0 217.334 0.809 10 0 BCAERO CC(C)(O)CCN1CCC[C@@H]([NH3+])C1=O ZINC000306569470 353025963 /nfs/dbraw/zinc/02/59/63/353025963.db2.gz WRTQLTFRXBGNBI-MRVPVSSYSA-N 1 0 200.282 0.097 10 0 BCAERO CC(C)N(CCO)C(=O)[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000042480937 187947585 /nfs/dbraw/zinc/94/75/85/187947585.db2.gz OSBFVBQOLSDNMS-WDEREUQCSA-N 1 0 228.336 0.604 10 0 BCAERO C[C@@H]1CCSCCN1[C@@H](C[NH3+])CO ZINC000306636890 353030776 /nfs/dbraw/zinc/03/07/76/353030776.db2.gz MAQUOQWIJQFKPF-BDAKNGLRSA-N 1 0 204.339 0.133 10 0 BCAERO CC(C)([NH3+])C(=O)N1CCc2ncccc2C1 ZINC000040922626 187945767 /nfs/dbraw/zinc/94/57/67/187945767.db2.gz FJJBLUVBBRRSSU-UHFFFAOYSA-N 1 0 219.288 0.704 10 0 BCAERO CC[C@@](C)(NC(=O)[C@@H]([NH3+])COC)C1CC1 ZINC000638858494 353035099 /nfs/dbraw/zinc/03/50/99/353035099.db2.gz RFROICWMPIROIX-GXSJLCMTSA-N 1 0 214.309 0.655 10 0 BCAERO Cn1ncc2c1ncnc2NCC[C@H]1CC[NH2+]C1 ZINC000110798925 180822483 /nfs/dbraw/zinc/82/24/83/180822483.db2.gz XFUPHMGOULLRJP-SECBINFHSA-N 1 0 246.318 0.775 10 0 BCAERO O=C(N[C@@H]1CCCC12CC2)[C@@H]1C[NH2+]CCOC1 ZINC000638832048 353012546 /nfs/dbraw/zinc/01/25/46/353012546.db2.gz DGJRPDAFHMQAOI-GHMZBOCLSA-N 1 0 238.331 0.671 10 0 BCAERO Cc1cc(C(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)[nH]n1 ZINC000638889319 353058139 /nfs/dbraw/zinc/05/81/39/353058139.db2.gz PXUVZNDKGHSMJE-VXNVDRBHSA-N 1 0 222.292 0.385 10 0 BCAERO CO[C@H](C)CCC(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000638899986 353062320 /nfs/dbraw/zinc/06/23/20/353062320.db2.gz QVMCGQCVIOARLY-GMTAPVOTSA-N 1 0 228.336 0.855 10 0 BCAERO COCC1(CC(=O)N2C[C@H](C)[C@@H](C[NH3+])C2)CC1 ZINC000638900837 353063064 /nfs/dbraw/zinc/06/30/64/353063064.db2.gz HPWGEDQYOSAJTP-QWRGUYRKSA-N 1 0 240.347 0.856 10 0 BCAERO Cn1cnnc1C(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000307253574 353063822 /nfs/dbraw/zinc/06/38/22/353063822.db2.gz VPXVLWGABZXTLL-JGVFFNPUSA-N 1 0 208.265 0.373 10 0 BCAERO CC(C)[C@@]1(C)CC(=O)N([C@H]2CC[NH2+]C2)C1=O ZINC000052094046 187954787 /nfs/dbraw/zinc/95/47/87/187954787.db2.gz CMMIGMJAHLMJPS-JOYOIKCWSA-N 1 0 224.304 0.770 10 0 BCAERO C[C@@H]1CN(C(=O)[C@@H]2CC[NH2+]2)CCS1 ZINC000306953035 353047412 /nfs/dbraw/zinc/04/74/12/353047412.db2.gz FJTGBVRSOGLCBH-SFYZADRCSA-N 1 0 200.307 0.312 10 0 BCAERO Cc1c(C(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)cnn1C ZINC000638888671 353050153 /nfs/dbraw/zinc/05/01/53/353050153.db2.gz OLZRRMLAIIIEQY-PSASIEDQSA-N 1 0 236.319 0.395 10 0 BCAERO Cc1cnc(C(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)cn1 ZINC000638888884 353050313 /nfs/dbraw/zinc/05/03/13/353050313.db2.gz BCFSTCFXBULFIX-PSASIEDQSA-N 1 0 234.303 0.452 10 0 BCAERO Cc1cc(C(=O)N2C[C@H](C)[C@@H](C[NH3+])C2)on1 ZINC000638884193 353051466 /nfs/dbraw/zinc/05/14/66/353051466.db2.gz AZULPCPQHYHFFD-CBAPKCEASA-N 1 0 223.276 0.650 10 0 BCAERO Cc1cc(C(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)on1 ZINC000638884195 353051675 /nfs/dbraw/zinc/05/16/75/353051675.db2.gz AZULPCPQHYHFFD-VXNVDRBHSA-N 1 0 223.276 0.650 10 0 BCAERO CC(C)COCCCN1CC[NH2+]CC1 ZINC000077296919 187965813 /nfs/dbraw/zinc/96/58/13/187965813.db2.gz BYWOBBNEDVQRTO-UHFFFAOYSA-N 1 0 200.326 0.954 10 0 BCAERO C[C@H]1CN(C(=O)c2cc[nH]n2)C[C@@H]1C[NH3+] ZINC000638887073 353053881 /nfs/dbraw/zinc/05/38/81/353053881.db2.gz CRNAAZFFJWFCTP-YUMQZZPRSA-N 1 0 208.265 0.077 10 0 BCAERO Cc1cc(C(=O)N2C[C@H](C)[C@@H](C[NH3+])C2)nn1C ZINC000638886989 353054022 /nfs/dbraw/zinc/05/40/22/353054022.db2.gz BYBTTYDEQBGSBC-WPRPVWTQSA-N 1 0 236.319 0.395 10 0 BCAERO C[C@@H]1CC/C(=C/CS(C)(=O)=O)C[NH2+]1 ZINC000307098059 353054577 /nfs/dbraw/zinc/05/45/77/353054577.db2.gz VQQLMSFNKUEAQU-CPJBWDMUSA-N 1 0 203.307 0.729 10 0 BCAERO C[C@@H]1CN(C(=O)Cc2cc[nH]n2)C[C@@H]1C[NH3+] ZINC000638894992 353056128 /nfs/dbraw/zinc/05/61/28/353056128.db2.gz SAISPXATBSTSLU-BDAKNGLRSA-N 1 0 222.292 0.005 10 0 BCAERO C[C@@H]1CN(C(=O)c2ccccn2)C[C@@H]1C[NH3+] ZINC000638896100 353056733 /nfs/dbraw/zinc/05/67/33/353056733.db2.gz WKLXSWKRCPSRGQ-ZJUUUORDSA-N 1 0 219.288 0.748 10 0 BCAERO CC(C)OCC(=O)N1C[C@H](C)[C@H](C[NH3+])C1 ZINC000638897105 353057364 /nfs/dbraw/zinc/05/73/64/353057364.db2.gz ZAELVUIDEFCUPL-VHSXEESVSA-N 1 0 214.309 0.465 10 0 BCAERO C[C@@H]1CN(C(=O)c2cn(C)cn2)C[C@@H]1C[NH3+] ZINC000638896522 353057369 /nfs/dbraw/zinc/05/73/69/353057369.db2.gz WWEYNQBIXXQXEK-BDAKNGLRSA-N 1 0 222.292 0.087 10 0 BCAERO CC1(C)SC[C@H]1[NH2+][C@H]1CCNC1=O ZINC000307725604 353112166 /nfs/dbraw/zinc/11/21/66/353112166.db2.gz BBRPIVATGJSVHR-NKWVEPMBSA-N 1 0 200.307 0.359 10 0 BCAERO CC(C)([NH3+])CN1CCC[C@@H](c2nnc[nH]2)C1 ZINC000261983587 535198443 /nfs/dbraw/zinc/19/84/43/535198443.db2.gz RQEADGOXHDXGAJ-SECBINFHSA-N 1 0 223.324 0.721 10 0 BCAERO COC(=O)C1=C[C@@H]([NH3+])CN(Cc2ccccc2)C1 ZINC000307707037 353094449 /nfs/dbraw/zinc/09/44/49/353094449.db2.gz YKVDHFHPDKSPHR-CYBMUJFWSA-N 1 0 246.310 0.929 10 0 BCAERO CC[N@@H+]1C[C@@H](C)[C@H](NC(=S)NC)C1 ZINC000307759632 353099940 /nfs/dbraw/zinc/09/99/40/353099940.db2.gz SLLDSVYJZVNLQH-HTQZYQBOSA-N 1 0 201.339 0.421 10 0 BCAERO [NH3+][C@H]1CCCN1[S@@](=O)C1CCCC1 ZINC000307738581 353122264 /nfs/dbraw/zinc/12/22/64/353122264.db2.gz XAZSLUVZFMKWOF-RNCFNFMXSA-N 1 0 202.323 0.973 10 0 BCAERO [NH3+][C@H]1CCCN1[S@](=O)C1CCCC1 ZINC000307738580 353122442 /nfs/dbraw/zinc/12/24/42/353122442.db2.gz XAZSLUVZFMKWOF-NOZJJQNGSA-N 1 0 202.323 0.973 10 0 BCAERO [NH3+]Cc1ccccc1S(=O)(=O)NC1CC1 ZINC000022166138 188008547 /nfs/dbraw/zinc/00/85/47/188008547.db2.gz IGCQJRBJFDWOBZ-UHFFFAOYSA-N 1 0 226.301 0.586 10 0 BCAERO CO[C@@H]1CCCN(C(=O)[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC000226316728 188011873 /nfs/dbraw/zinc/01/18/73/188011873.db2.gz PKCGOSUQUXEELR-HBNTYKKESA-N 1 0 226.320 0.751 10 0 BCAERO CC(C)(C)OC(=O)[C@H]1COCC[C@@H]1[NH3+] ZINC000536954822 323964513 /nfs/dbraw/zinc/96/45/13/323964513.db2.gz QISXINKYFFEIDU-YUMQZZPRSA-N 1 0 201.266 0.692 10 0 BCAERO Cn1ccs/c1=N\C(=O)[C@@H]1CCC[NH2+]C1 ZINC000122991451 188045646 /nfs/dbraw/zinc/04/56/46/188045646.db2.gz CESXFOBBXSYZQQ-GLFQRJSBSA-N 1 0 225.317 0.514 10 0 BCAERO C[C@H](Nc1ccc(C(N)=O)cn1)[C@@H]1CCC[NH2+]C1 ZINC000050163913 188046155 /nfs/dbraw/zinc/04/61/55/188046155.db2.gz FPYDGLKDEPZJID-VHSXEESVSA-N 1 0 248.330 0.981 10 0 BCAERO C[C@H]1OCC[C@@H]1NC(=O)C(C)(C)C[NH3+] ZINC000134248921 188049622 /nfs/dbraw/zinc/04/96/22/188049622.db2.gz YPPGOFICZOLQRW-SFYZADRCSA-N 1 0 200.282 0.265 10 0 BCAERO [NH3+]Cc1nnnn1CC1CCSCC1 ZINC000229395265 353145587 /nfs/dbraw/zinc/14/55/87/353145587.db2.gz MSVCWAUVJXXHGW-UHFFFAOYSA-N 1 0 213.310 0.275 10 0 BCAERO CC1(C)/C(=C/CS(C)(=O)=O)C[C@H]1[NH3+] ZINC000405232148 353149544 /nfs/dbraw/zinc/14/95/44/353149544.db2.gz BPAKXSKGLKRHJO-RXLGXGPVSA-N 1 0 203.307 0.715 10 0 BCAERO CC[C@@](C)(O)C[N@H+]1C[C@@H](C)N[C@@H](C)C1 ZINC000229411772 353153099 /nfs/dbraw/zinc/15/30/99/353153099.db2.gz GJPXJBFLSUWGAW-OUAUKWLOSA-N 1 0 200.326 0.830 10 0 BCAERO Cn1nnnc1N[C@@H]1c2ccccc2C[C@@H]1[NH3+] ZINC000104320788 180876114 /nfs/dbraw/zinc/87/61/14/180876114.db2.gz ALWLKUVNAXRJFX-VHSXEESVSA-N 1 0 230.275 0.247 10 0 BCAERO CN(C)S(=O)(=O)CC[C@@H]([NH3+])C1CCCC1 ZINC000308783797 538110816 /nfs/dbraw/zinc/11/08/16/538110816.db2.gz WXVAMOIZFWAHHE-SNVBAGLBSA-N 1 0 234.365 0.785 10 0 BCAERO Cc1ccc(CNC(=O)[C@@H]2C[NH2+]CCOC2)o1 ZINC000638990000 353223525 /nfs/dbraw/zinc/22/35/25/353223525.db2.gz SVCKNLQXSVBVOY-SNVBAGLBSA-N 1 0 238.287 0.440 10 0 BCAERO CN(C(=O)NC1CCCCC1)[C@H]1C[NH2+]C[C@@H]1O ZINC000209450645 353248858 /nfs/dbraw/zinc/24/88/58/353248858.db2.gz ZISYWNWTTZRLMK-QWRGUYRKSA-N 1 0 241.335 0.293 10 0 BCAERO C[C@H](CC(=O)[O-])[N@@H+]1C[C@H](C)C[C@H]([NH3+])C1 ZINC000252196822 363211658 /nfs/dbraw/zinc/21/16/58/363211658.db2.gz VQKCDTVDUJYEIK-HLTSFMKQSA-N 1 0 200.282 0.519 10 0 BCAERO C[C@@H]1C[N@H+](CCC(N)=S)CC[C@@H]1O ZINC000126954433 353261061 /nfs/dbraw/zinc/26/10/61/353261061.db2.gz RMMVVRSWKORWLD-SFYZADRCSA-N 1 0 202.323 0.365 10 0 BCAERO O=C(NC[C@@H]1CCC[NH2+]C1)c1ccc(=O)[nH]c1 ZINC000044501394 188258287 /nfs/dbraw/zinc/25/82/87/188258287.db2.gz KZAPYACOZYAAEZ-SECBINFHSA-N 1 0 235.287 0.104 10 0 BCAERO CC(=O)NCC[NH2+]Cc1cn2ccccc2n1 ZINC000035138450 188284591 /nfs/dbraw/zinc/28/45/91/188284591.db2.gz LMKCYRUMAJBBSE-UHFFFAOYSA-N 1 0 232.287 0.560 10 0 BCAERO CC(C)(CO)[NH2+]CC(=O)N1CCCCCC1 ZINC000035102110 188285478 /nfs/dbraw/zinc/28/54/78/188285478.db2.gz KSGOJFQMYQXOJW-UHFFFAOYSA-N 1 0 228.336 0.750 10 0 BCAERO CC(=O)N1CCC([NH2+]CCC(=O)N(C)C)CC1 ZINC000037751919 188288491 /nfs/dbraw/zinc/28/84/91/188288491.db2.gz UVTOKMZTEZXZLJ-UHFFFAOYSA-N 1 0 241.335 0.065 10 0 BCAERO COc1ncccc1C[NH2+]CCC(=O)N(C)C ZINC000037897938 188289143 /nfs/dbraw/zinc/28/91/43/188289143.db2.gz UAWZSRQRNFXJMK-UHFFFAOYSA-N 1 0 237.303 0.658 10 0 BCAERO COc1ccc([C@H]([NH2+]C(C)C)C(N)=O)cc1O ZINC000037869324 188289537 /nfs/dbraw/zinc/28/95/37/188289537.db2.gz XVRZZZJFGBMRNG-NSHDSACASA-N 1 0 238.287 0.925 10 0 BCAERO CC(C)(C)[C@@H]([NH3+])C(=O)NCc1cn[nH]c1 ZINC000077558885 188290392 /nfs/dbraw/zinc/29/03/92/188290392.db2.gz PLWTZRXJXIODHZ-QMMMGPOBSA-N 1 0 210.281 0.399 10 0 BCAERO CC(C)(C)[C@@H]([NH3+])C(=O)NC[C@@H]1CCCO1 ZINC000077558623 188290640 /nfs/dbraw/zinc/29/06/40/188290640.db2.gz UTBVMBYQZDEVFN-IUCAKERBSA-N 1 0 214.309 0.655 10 0 BCAERO C[NH+]1CCC(OC(=O)[C@@H](N)C(C)(C)C)CC1 ZINC000041019062 188292659 /nfs/dbraw/zinc/29/26/59/188292659.db2.gz ZVBUVXXRKDSGKT-SNVBAGLBSA-N 1 0 228.336 0.997 10 0 BCAERO CC(C)C[C@H]([NH3+])[C@@H]1CCS(=O)(=O)C1 ZINC000043300133 188295224 /nfs/dbraw/zinc/29/52/24/188295224.db2.gz IISLJZCXUAYROB-BDAKNGLRSA-N 1 0 205.323 0.795 10 0 BCAERO CC1(C)NC(=O)N(C[C@H]2CCCC[NH2+]2)C1=O ZINC000043494090 188295910 /nfs/dbraw/zinc/29/59/10/188295910.db2.gz YMHQBRLBNLXRLH-MRVPVSSYSA-N 1 0 225.292 0.459 10 0 BCAERO CC(C)(CO)NCc1nnnn1-c1ccccc1 ZINC000048694146 188297662 /nfs/dbraw/zinc/29/76/62/188297662.db2.gz WCDKUGPYCNTAKB-UHFFFAOYSA-N 1 0 247.302 0.523 10 0 BCAERO NC(=O)c1ccccc1CO[C@H]1CC[NH2+]C1 ZINC000051782478 188299952 /nfs/dbraw/zinc/29/99/52/188299952.db2.gz OMYQDANQJHFLDP-JTQLQIEISA-N 1 0 220.272 0.664 10 0 BCAERO c1cc(N2CCCOCC2)nnc1C[NH2+]C1CC1 ZINC000061935334 188302212 /nfs/dbraw/zinc/30/22/12/188302212.db2.gz BWRVBTABLVKDJI-UHFFFAOYSA-N 1 0 248.330 0.955 10 0 BCAERO CC(C)[C@H]([NH3+])C(=O)N[C@@H](CO)c1ccccc1 ZINC000063003628 188303905 /nfs/dbraw/zinc/30/39/05/188303905.db2.gz JJRZHBVNGRKIBU-RYUDHWBXSA-N 1 0 236.315 0.820 10 0 BCAERO COc1ccc(C[C@@H]2C[NH2+]CCN2)cc1 ZINC000071510120 188305829 /nfs/dbraw/zinc/30/58/29/188305829.db2.gz DINRDQCLKJBKSR-LLVKDONJSA-N 1 0 206.289 0.799 10 0 BCAERO Cc1ccsc1C(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O ZINC000077452419 188311618 /nfs/dbraw/zinc/31/16/18/188311618.db2.gz MUYOPQHXOOTNLN-IUCAKERBSA-N 1 0 240.328 0.461 10 0 BCAERO Cn1cncc1C(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000236080232 188318639 /nfs/dbraw/zinc/31/86/39/188318639.db2.gz RCQBGWIGAAVFGW-BDAKNGLRSA-N 1 0 222.292 0.277 10 0 BCAERO Cn1cncc1C(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000236080306 188319508 /nfs/dbraw/zinc/31/95/08/188319508.db2.gz RCQBGWIGAAVFGW-IUCAKERBSA-N 1 0 222.292 0.277 10 0 BCAERO [NH3+][C@H](C1CC1)[C@@H]1CCCCS1(=O)=O ZINC000129767668 353329024 /nfs/dbraw/zinc/32/90/24/353329024.db2.gz IOYXEHOYWGMPSI-DTWKUNHWSA-N 1 0 203.307 0.691 10 0 BCAERO O=C(NC[C@@H]1CCOC1)[C@H]1CCC[NH2+]C1 ZINC000037739062 188325989 /nfs/dbraw/zinc/32/59/89/188325989.db2.gz LEGLZORVRYPNHW-UWVGGRQHSA-N 1 0 212.293 0.139 10 0 BCAERO O=C(NC[C@@H]1CCOC1)[C@@H]1CCCC[NH2+]1 ZINC000037739056 188326066 /nfs/dbraw/zinc/32/60/66/188326066.db2.gz HLMRRAQVRRIZNG-UWVGGRQHSA-N 1 0 212.293 0.281 10 0 BCAERO C[C@H]1C[N@H+](CCC(N)=S)[C@@H](C)CO1 ZINC000223213752 353360162 /nfs/dbraw/zinc/36/01/62/353360162.db2.gz RJRBZVIBPNOZKD-YUMQZZPRSA-N 1 0 202.323 0.772 10 0 BCAERO NC(=O)[C@H]([NH3+])Cc1nc2ccccc2s1 ZINC000129542295 353353938 /nfs/dbraw/zinc/35/39/38/353353938.db2.gz MGWQWGBYUMFABP-ZCFIWIBFSA-N 1 0 221.285 0.651 10 0 BCAERO CC1(C)c2cc(O)ccc2C[C@@H](O)[C@H]1[NH3+] ZINC000026839606 188357116 /nfs/dbraw/zinc/35/71/16/188357116.db2.gz QYFQNTJWRHLHDP-GHMZBOCLSA-N 1 0 207.273 0.914 10 0 BCAERO OC[C@H]1C[C@@H](O)C[N@@H+]1CCc1ccccc1 ZINC000179184293 188344057 /nfs/dbraw/zinc/34/40/57/188344057.db2.gz WAKSKJZQXLARDY-CHWSQXEVSA-N 1 0 221.300 0.657 10 0 BCAERO CC(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)C(N)=O ZINC000309074338 188344260 /nfs/dbraw/zinc/34/42/60/188344260.db2.gz IRYCAJYQGWFAHS-GUBZILKMSA-N 1 0 214.309 0.511 10 0 BCAERO OC[C@H]1C[C@@H](O)C[N@@H+]1CCc1cccnc1 ZINC000185149657 188346460 /nfs/dbraw/zinc/34/64/60/188346460.db2.gz BYRXIUDRTUZRAI-VXGBXAGGSA-N 1 0 222.288 0.052 10 0 BCAERO BrC1=CN2CC[NH+]=C2N=C1 ZINC000204776588 188354962 /nfs/dbraw/zinc/35/49/62/188354962.db2.gz WXMJRWGACPOJDC-UHFFFAOYSA-N 1 0 200.039 0.979 10 0 BCAERO CC[C@@H]([NH3+])C(=O)Nc1ccc(Cl)nn1 ZINC000160181022 353401482 /nfs/dbraw/zinc/40/14/82/353401482.db2.gz MNWJZOXRIQXSQF-RXMQYKEDSA-N 1 0 214.656 0.806 10 0 BCAERO COC[C@H](C)[NH2+][C@H](C)C(=O)N(C)C(C)C ZINC000309095215 538117605 /nfs/dbraw/zinc/11/76/05/538117605.db2.gz DRFKKJDTQXFNMH-VHSXEESVSA-N 1 0 216.325 0.866 10 0 BCAERO COC(=O)[C@@H](C)[N@@H+]1CC[C@@H](CCO)C1 ZINC000227568427 363243640 /nfs/dbraw/zinc/24/36/40/363243640.db2.gz CHYIDZXIORVTQE-BDAKNGLRSA-N 1 0 201.266 0.252 10 0 BCAERO CC(C)c1nc(CN2C[C@@H](C)[C@@H]([NH3+])C2)no1 ZINC000232772178 353760860 /nfs/dbraw/zinc/76/08/60/353760860.db2.gz FPYBRNAZHFTQJK-BDAKNGLRSA-N 1 0 224.308 0.972 10 0 BCAERO CCc1cc(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)[nH]n1 ZINC000195330242 353743687 /nfs/dbraw/zinc/74/36/87/353743687.db2.gz FQYHVXHROIKEFU-LLVKDONJSA-N 1 0 248.330 0.892 10 0 BCAERO CCOC[C@H](C)[NH2+]C[C@H]1CN(CC)CCO1 ZINC000086004594 491056078 /nfs/dbraw/zinc/05/60/78/491056078.db2.gz JTHPUOXCCFPANF-RYUDHWBXSA-N 1 0 230.352 0.722 10 0 BCAERO O=C1N[C@@H]2C[NH2+]CC[C@@H]2N1C1CCCC1 ZINC000606303059 353858483 /nfs/dbraw/zinc/85/84/83/353858483.db2.gz FHBVAGJNGYCSEU-ZJUUUORDSA-N 1 0 209.293 0.685 10 0 BCAERO COCCN(C)C[C@H](O)C[NH2+]C1(C(C)C)CC1 ZINC000379428098 358484699 /nfs/dbraw/zinc/48/46/99/358484699.db2.gz FVDZFQOZFMYDGK-GFCCVEGCSA-N 1 0 244.379 0.704 10 0 BCAERO CC1(C)[C@H]([NH3+])[C@]12CCCS(=O)(=O)C2 ZINC000301038347 363359243 /nfs/dbraw/zinc/35/92/43/363359243.db2.gz YAPKDJFNTHTPCN-IONNQARKSA-N 1 0 203.307 0.549 10 0 BCAERO COCCCNC(=O)C[NH2+]C1(C(C)C)CC1 ZINC000379450420 358488492 /nfs/dbraw/zinc/48/84/92/358488492.db2.gz KXHSEXMEFYMINE-UHFFFAOYSA-N 1 0 228.336 0.917 10 0 BCAERO CCCCNC(=O)CN1C[C@H]([NH3+])[C@@H](C)C1 ZINC000232979076 363390626 /nfs/dbraw/zinc/39/06/26/363390626.db2.gz GLYQJKIRYFEBDE-UWVGGRQHSA-N 1 0 213.325 0.182 10 0 BCAERO COC(=O)CCCN1C[C@H]([NH3+])[C@@H](C)C1 ZINC000234516446 363423687 /nfs/dbraw/zinc/42/36/87/363423687.db2.gz HWMHSIKBXHHSDJ-IUCAKERBSA-N 1 0 200.282 0.219 10 0 BCAERO CCOC(=O)COCC[NH2+][C@@H]1CCO[C@@H]1C ZINC000233681107 363406395 /nfs/dbraw/zinc/40/63/95/363406395.db2.gz ZKDAXAIBCRDCQH-NXEZZACHSA-N 1 0 231.292 0.333 10 0 BCAERO CC(C)S(=O)(=O)N1C[C@H]([NH3+])[C@@H](C)C1 ZINC000232981992 355218776 /nfs/dbraw/zinc/21/87/76/355218776.db2.gz HHVSNUNBTZIQHJ-YUMQZZPRSA-N 1 0 206.311 0.004 10 0 BCAERO NC(=[NH2+])CSc1nnnn1C1CCCC1 ZINC000019863510 181187066 /nfs/dbraw/zinc/18/70/66/181187066.db2.gz JPFBPPJERWLASC-UHFFFAOYSA-N 1 0 226.309 0.816 10 0 BCAERO NC(=[NH2+])CN1CCN(c2nccs2)CC1 ZINC000019425741 181186323 /nfs/dbraw/zinc/18/63/23/181186323.db2.gz SXPMHZSBCQTAID-UHFFFAOYSA-N 1 0 225.321 0.201 10 0 BCAERO C[C@H](C[C@H]1COCC[NH2+]1)N1CCCO1 ZINC000166272763 355348664 /nfs/dbraw/zinc/34/86/64/355348664.db2.gz KVCGGJJYETXQBM-ZJUUUORDSA-N 1 0 200.282 0.391 10 0 BCAERO Cc1nccn1CCNC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000383862997 355417686 /nfs/dbraw/zinc/41/76/86/355417686.db2.gz OGHKQNIIONKBER-MWLCHTKSSA-N 1 0 236.319 0.163 10 0 BCAERO NC(=[NH2+])SCc1[nH]c(=O)[nH]c(=O)c1Cl ZINC000034764310 181192772 /nfs/dbraw/zinc/19/27/72/181192772.db2.gz JNJQRFALCFKOMO-UHFFFAOYSA-N 1 0 234.668 0.256 10 0 BCAERO NC(=[NH2+])c1c(F)cccc1SC[C@H](O)CO ZINC000062714614 181192866 /nfs/dbraw/zinc/19/28/66/181192866.db2.gz RVVMLMKIMXYUEG-ZCFIWIBFSA-N 1 0 244.291 0.555 10 0 BCAERO NC(=[NH2+])c1ccc(Sc2nc[nH]n2)nc1 ZINC000019848050 181195203 /nfs/dbraw/zinc/19/52/03/181195203.db2.gz BNRLCKJGKAKMSQ-UHFFFAOYSA-N 1 0 220.261 0.635 10 0 BCAERO NC(=[NH2+])c1ccc(I)cn1 ZINC000071186743 181195332 /nfs/dbraw/zinc/19/53/32/181195332.db2.gz OBBXLNXVSNJDOW-UHFFFAOYSA-N 1 0 247.039 0.970 10 0 BCAERO NC(=[NH2+])c1ccccc1CN1CCOCC1 ZINC000019435506 181196258 /nfs/dbraw/zinc/19/62/58/181196258.db2.gz QSCARCOKGGQAGN-UHFFFAOYSA-N 1 0 219.288 0.803 10 0 BCAERO C[NH2+][C@H](C)C(=O)NC[C@H]1CCO[C@H](C)C1 ZINC000389040302 355527965 /nfs/dbraw/zinc/52/79/65/355527965.db2.gz QMXAQKKPXMMZPR-BBBLOLIVSA-N 1 0 214.309 0.526 10 0 BCAERO CC(C)n1nnnc1CN1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000583565449 355647807 /nfs/dbraw/zinc/64/78/07/355647807.db2.gz SZGOKSFZNHEKLJ-UWVGGRQHSA-N 1 0 238.339 0.423 10 0 BCAERO OC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccsc1 ZINC000336005203 134049116 /nfs/dbraw/zinc/04/91/16/134049116.db2.gz YCZNHFKJHJYGEJ-ZJUUUORDSA-N 1 0 213.302 0.676 10 0 BCAERO CN1C[C@@H](C[NH2+]Cc2ccc(CO)cc2)CC1=O ZINC000639321531 355722895 /nfs/dbraw/zinc/72/28/95/355722895.db2.gz OMDPBHZTOWRBKS-CYBMUJFWSA-N 1 0 248.326 0.747 10 0 BCAERO CCC[C@@H](C[NH2+]C[C@@H]1CC(=O)N(C)C1)OC ZINC000639321537 355723054 /nfs/dbraw/zinc/72/30/54/355723054.db2.gz OOOOKBAWZRXIST-QWRGUYRKSA-N 1 0 228.336 0.869 10 0 BCAERO CCN1CC[C@H]([NH2+][C@@H](C)CS(=O)(=O)CC)C1 ZINC000389169355 355755344 /nfs/dbraw/zinc/75/53/44/355755344.db2.gz NITDTTDPELAGIA-QWRGUYRKSA-N 1 0 248.392 0.493 10 0 BCAERO CO[C@]1(C[NH2+]C2CC(CO)C2)CCOC1 ZINC000639334640 355765104 /nfs/dbraw/zinc/76/51/04/355765104.db2.gz HXPQNQRNRIKYHZ-ILDUYXDCSA-N 1 0 215.293 0.152 10 0 BCAERO CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)OC)C1 ZINC000389186704 355778220 /nfs/dbraw/zinc/77/82/20/355778220.db2.gz SJEVKGNKNASENG-VIFPVBQESA-N 1 0 214.309 0.622 10 0 BCAERO CC(C)[C@@](C)(O)C[N@@H+]1CC[C@](C)(O)C1 ZINC000248560694 355781645 /nfs/dbraw/zinc/78/16/45/355781645.db2.gz MSXKYNCANHMTQR-QWRGUYRKSA-N 1 0 201.310 0.850 10 0 BCAERO CCC[C@H](C[NH2+][C@H]1CCOC[C@@H]1O)OC ZINC000639354124 355803176 /nfs/dbraw/zinc/80/31/76/355803176.db2.gz DKPJDEIWNQNMHN-VWYCJHECSA-N 1 0 217.309 0.541 10 0 BCAERO Cn1cc(CCC[NH2+][C@H]2CCOC[C@H]2O)cn1 ZINC000639354346 355805894 /nfs/dbraw/zinc/80/58/94/355805894.db2.gz HDJUOQWFWWTUFQ-NWDGAFQWSA-N 1 0 239.319 0.092 10 0 BCAERO O=C([C@@H]1CCCO1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000035104822 355808885 /nfs/dbraw/zinc/80/88/85/355808885.db2.gz IFVSAUCUZAOEEB-QWRGUYRKSA-N 1 0 224.304 0.472 10 0 BCAERO c1nn[nH]c1C[NH2+][C@@H]1CO[C@@H](C2CC2)C1 ZINC000628364099 355850787 /nfs/dbraw/zinc/85/07/87/355850787.db2.gz MCDVQGXTJIQEIF-WCBMZHEXSA-N 1 0 208.265 0.462 10 0 BCAERO C[C@@H]1CN(c2ccc(Cl)nn2)[NH+]=C1N ZINC000137418455 355860153 /nfs/dbraw/zinc/86/01/53/355860153.db2.gz RJUXKPKURCIETB-RXMQYKEDSA-N 1 0 211.656 0.858 10 0 BCAERO NC(=O)C1CCC([NH2+][C@@H]2CCC[C@@H]2O)CC1 ZINC000038091876 181216681 /nfs/dbraw/zinc/21/66/81/181216681.db2.gz VGCVZJUFSOHEQR-LXKPXOPUSA-N 1 0 226.320 0.534 10 0 BCAERO NC(=O)C1CCN([C@@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000040431750 181217341 /nfs/dbraw/zinc/21/73/41/181217341.db2.gz OAQFWQMWBQQCGR-WDEREUQCSA-N 1 0 225.336 0.454 10 0 BCAERO CCc1cc(CC)nc(NC2C[NH2+]C2)n1 ZINC000389380069 355993131 /nfs/dbraw/zinc/99/31/31/355993131.db2.gz CFLDLFQNMVLEGF-UHFFFAOYSA-N 1 0 206.293 0.985 10 0 BCAERO NC(=O)CCC[NH2+]Cc1cnn2ccccc12 ZINC000071373095 181222885 /nfs/dbraw/zinc/22/28/85/181222885.db2.gz VQGRDLUMSAOXHW-UHFFFAOYSA-N 1 0 232.287 0.689 10 0 BCAERO C[C@@H]([NH3+])c1cn(Cc2cncs2)nn1 ZINC000167149427 355961418 /nfs/dbraw/zinc/96/14/18/355961418.db2.gz AFQMKVLEPYYQGX-ZCFIWIBFSA-N 1 0 209.278 0.803 10 0 BCAERO NC(=O)CNCc1ccccc1OC(F)F ZINC000019267667 181234907 /nfs/dbraw/zinc/23/49/07/181234907.db2.gz MIPAALJHRMJGDD-UHFFFAOYSA-N 1 0 230.214 0.863 10 0 BCAERO NC(=O)CNCC(=O)Nc1cccc(Cl)c1 ZINC000020056881 181234931 /nfs/dbraw/zinc/23/49/31/181234931.db2.gz KFXUVKJXNCPICO-UHFFFAOYSA-N 1 0 241.678 0.353 10 0 BCAERO NC(=O)CNCc1ccc(F)cc1F ZINC000021955606 181235778 /nfs/dbraw/zinc/23/57/78/181235778.db2.gz COLKGZBLPLIKNH-UHFFFAOYSA-N 1 0 200.188 0.540 10 0 BCAERO NC(=O)CC[NH2+]CC(=O)Nc1ccccc1F ZINC000036747331 181225465 /nfs/dbraw/zinc/22/54/65/181225465.db2.gz WOOJJXWMZCVSKI-UHFFFAOYSA-N 1 0 239.250 0.229 10 0 BCAERO NC(=O)N1CCC([NH2+][C@H]2CCCC[C@@H]2O)CC1 ZINC000052000511 181250364 /nfs/dbraw/zinc/25/03/64/181250364.db2.gz PYEXWPDVWIVHCV-QWRGUYRKSA-N 1 0 241.335 0.423 10 0 BCAERO O[C@H]1C[NH2+]C[C@H]1CNc1ccncc1Cl ZINC000420252671 192187961 /nfs/dbraw/zinc/18/79/61/192187961.db2.gz OJLWNIZIVUTQNG-XVKPBYJWSA-N 1 0 227.695 0.149 10 0 BCAERO NC(=O)[C@@H](c1ccsc1)N1CC[NH2+]CC1 ZINC000037945606 181266369 /nfs/dbraw/zinc/26/63/69/181266369.db2.gz MZNOXUFBLSKHDI-SECBINFHSA-N 1 0 225.317 0.180 10 0 BCAERO NC(=O)[C@@]1([NH2+]C[C@H]2CCCO2)CCCSC1 ZINC000061590403 181275125 /nfs/dbraw/zinc/27/51/25/181275125.db2.gz USZWTGAJJROOJC-MWLCHTKSSA-N 1 0 244.360 0.506 10 0 BCAERO CC1(C)CO[C@H](C[N@@H+]2C[C@@H](O)C[C@@H]2CO)C1 ZINC000639555020 356460214 /nfs/dbraw/zinc/46/02/14/356460214.db2.gz NDRPASFHVNMLQH-VWYCJHECSA-N 1 0 229.320 0.229 10 0 BCAERO NC(=O)[C@H](c1cccc(F)c1)N1CC[NH2+]CC1 ZINC000037945596 181278606 /nfs/dbraw/zinc/27/86/06/181278606.db2.gz RWYYWDVGJPDXQC-NSHDSACASA-N 1 0 237.278 0.257 10 0 BCAERO [NH3+]C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1O ZINC000143073423 356471431 /nfs/dbraw/zinc/47/14/31/356471431.db2.gz VMMZFPZMISQAMO-QWHCGFSZSA-N 1 0 220.316 0.828 10 0 BCAERO NC(=O)[C@H]1CCCCN1C[C@@H]1CCC[NH2+]1 ZINC000043495718 181279638 /nfs/dbraw/zinc/27/96/38/181279638.db2.gz YMZDZPZUGUFDIX-VHSXEESVSA-N 1 0 211.309 0.078 10 0 BCAERO NC(=O)[C@]1(O)CCC[N@H+](CCCCF)C1 ZINC000309052035 181284637 /nfs/dbraw/zinc/28/46/37/181284637.db2.gz QGVKRWUCMZGCGJ-JTQLQIEISA-N 1 0 218.272 0.048 10 0 BCAERO NC(=O)[C@H]1CCCN1CCOc1ccccc1N ZINC000036671496 181282719 /nfs/dbraw/zinc/28/27/19/181282719.db2.gz FSCBBQBCGICCHP-LLVKDONJSA-N 1 0 249.314 0.597 10 0 BCAERO C[C@H]1CC[C@@H](O)C[N@@H+]1CCCN1CCOCC1 ZINC000421010443 192300406 /nfs/dbraw/zinc/30/04/06/192300406.db2.gz IVPQCASEOUWISS-QWHCGFSZSA-N 1 0 242.363 0.554 10 0 BCAERO C[NH2+][C@H]1CCCCN(S(C)(=O)=O)C1 ZINC000216224411 363486190 /nfs/dbraw/zinc/48/61/90/363486190.db2.gz PJRLEKCVVMNMDP-QMMMGPOBSA-N 1 0 206.311 0.020 10 0 BCAERO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1C(=O)NC[C@H]1CC[NH2+]C1 ZINC000252513811 363513748 /nfs/dbraw/zinc/51/37/48/363513748.db2.gz WACAJZVKPOEWTE-CSYMLDBXSA-N 1 0 240.347 0.772 10 0 BCAERO Cc1nocc1C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000630092535 363515954 /nfs/dbraw/zinc/51/59/54/363515954.db2.gz QWTBUTJCABBLJB-VXNVDRBHSA-N 1 0 223.276 0.650 10 0 BCAERO COC(=O)[C@@H]1CC[NH2+][C@@H]([C@@H]2CCCO2)C1 ZINC000675050603 538472377 /nfs/dbraw/zinc/47/23/77/538472377.db2.gz ZYDKDGJNQHDKSV-BBBLOLIVSA-N 1 0 213.277 0.707 10 0 BCAERO C[C@H](CO)[NH2+]C1CCC2(CS(=O)(=O)C2)CC1 ZINC000675056853 538479247 /nfs/dbraw/zinc/47/92/47/538479247.db2.gz QVNALAZGKIUCCP-SECBINFHSA-N 1 0 247.360 0.314 10 0 BCAERO Cc1cnc(N2C[C@@H](C)[C@@H](C[NH3+])C2)nc1 ZINC000630094625 363538642 /nfs/dbraw/zinc/53/86/42/363538642.db2.gz VOEAAOVXJAVPRL-ZJUUUORDSA-N 1 0 206.293 0.816 10 0 BCAERO CCC(=O)N1CCO[C@](CC)(C[NH3+])C1 ZINC000675059463 538484123 /nfs/dbraw/zinc/48/41/23/538484123.db2.gz PNIJWOYMZWIOSW-SNVBAGLBSA-N 1 0 200.282 0.363 10 0 BCAERO CC(C)NC(=O)NC[C@]1(C)C[NH2+]CCO1 ZINC000675059473 538484136 /nfs/dbraw/zinc/48/41/36/538484136.db2.gz PXZGCQDNUCNAHA-JTQLQIEISA-N 1 0 215.297 0.073 10 0 BCAERO CC[C@@]1(C[NH3+])CN(C(=O)C2CC2)CCO1 ZINC000675059490 538484145 /nfs/dbraw/zinc/48/41/45/538484145.db2.gz QGTLXXUQVDYFNF-LLVKDONJSA-N 1 0 212.293 0.363 10 0 BCAERO CC(C)NC(=O)NC[C@@]1(C)C[NH2+]CCO1 ZINC000675059474 538484199 /nfs/dbraw/zinc/48/41/99/538484199.db2.gz PXZGCQDNUCNAHA-SNVBAGLBSA-N 1 0 215.297 0.073 10 0 BCAERO CCCNC(=O)NC[C@@]1(CCC)C[NH2+]CCO1 ZINC000675058901 538482470 /nfs/dbraw/zinc/48/24/70/538482470.db2.gz BIRVWUJWYUISAR-GFCCVEGCSA-N 1 0 243.351 0.854 10 0 BCAERO CCCNC(=O)NC[C@]1(C)C[NH2+]CCO1 ZINC000675058903 538482488 /nfs/dbraw/zinc/48/24/88/538482488.db2.gz BKGCPSZOEVRRAY-JTQLQIEISA-N 1 0 215.297 0.074 10 0 BCAERO CC(C)[C@@H](C)C(=O)NC[C@@]1(C)C[NH2+]CCO1 ZINC000675058900 538482548 /nfs/dbraw/zinc/48/25/48/538482548.db2.gz BIKZZMUMAOSMQA-ZYHUDNBSSA-N 1 0 228.336 0.773 10 0 BCAERO CC(C)C(=O)N1CC(OC2CC[NH2+]CC2)C1 ZINC000675055427 538475647 /nfs/dbraw/zinc/47/56/47/538475647.db2.gz SRELNVLHGKBJQY-UHFFFAOYSA-N 1 0 226.320 0.622 10 0 BCAERO CC[C@]1(C[NH3+])CN(C(=O)C2CC2)CCO1 ZINC000675059491 538483883 /nfs/dbraw/zinc/48/38/83/538483883.db2.gz QGTLXXUQVDYFNF-NSHDSACASA-N 1 0 212.293 0.363 10 0 BCAERO [NH3+]C[C@]12CCC[C@H]1N(S(=O)(=O)C1CC1)CC2 ZINC000675055974 538476811 /nfs/dbraw/zinc/47/68/11/538476811.db2.gz FZBJEIHUXRPHPH-GHMZBOCLSA-N 1 0 244.360 0.682 10 0 BCAERO COCCNC(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000675056099 538477601 /nfs/dbraw/zinc/47/76/01/538477601.db2.gz CBIPSZSGRRBTHO-VHSXEESVSA-N 1 0 227.308 0.026 10 0 BCAERO O=C(CC1CC1)N1CC[C@@H]2CC[NH2+]C[C@@H]21 ZINC000675056115 538478017 /nfs/dbraw/zinc/47/80/17/538478017.db2.gz CKTXBOCGILWRKT-QWRGUYRKSA-N 1 0 208.305 0.997 10 0 BCAERO Cc1cnc(N2C[C@H](C)[C@H](C[NH3+])C2)nc1 ZINC000630094624 363537658 /nfs/dbraw/zinc/53/76/58/363537658.db2.gz VOEAAOVXJAVPRL-VHSXEESVSA-N 1 0 206.293 0.816 10 0 BCAERO CCS(=O)(=O)N1CC[C@@H]2CC[NH2+]C[C@@H]21 ZINC000675056846 538478795 /nfs/dbraw/zinc/47/87/95/538478795.db2.gz QKHZJHXTRQDSRN-IUCAKERBSA-N 1 0 218.322 0.020 10 0 BCAERO C[C@@H](CO)[NH2+]C1CCC2(CS(=O)(=O)C2)CC1 ZINC000675056854 538478842 /nfs/dbraw/zinc/47/88/42/538478842.db2.gz QVNALAZGKIUCCP-VIFPVBQESA-N 1 0 247.360 0.314 10 0 BCAERO CC[C@]1(CNC(=O)NC(C)C)C[NH2+]CCO1 ZINC000675059479 538484498 /nfs/dbraw/zinc/48/44/98/538484498.db2.gz QAWBBAPIPJLAKX-LLVKDONJSA-N 1 0 229.324 0.463 10 0 BCAERO CC[NH+]1CCN(C[C@@H]2CC[C@H](CO)O2)CC1 ZINC000675059750 538484893 /nfs/dbraw/zinc/48/48/93/538484893.db2.gz WFFSPRZVQOQXDG-NWDGAFQWSA-N 1 0 228.336 0.164 10 0 BCAERO COC(=O)c1cccn(CC[NH2+]C(C)C)c1=O ZINC000675059982 538484993 /nfs/dbraw/zinc/48/49/93/538484993.db2.gz PLCYOISVXWWABA-UHFFFAOYSA-N 1 0 238.287 0.633 10 0 BCAERO CCCC(=O)NC[C@@]1(C)C[NH2+]CCO1 ZINC000675059910 538485180 /nfs/dbraw/zinc/48/51/80/538485180.db2.gz XVAAMDSIUDKCKG-SNVBAGLBSA-N 1 0 200.282 0.281 10 0 BCAERO C[C@]1(CNC(=O)CC2CC2)C[NH2+]CCO1 ZINC000675059901 538485214 /nfs/dbraw/zinc/48/52/14/538485214.db2.gz XKOUEFFIGKYGBT-LLVKDONJSA-N 1 0 212.293 0.281 10 0 BCAERO CC[C@@]1(C[NH3+])CN(C(=O)CC(C)C)CCO1 ZINC000675059726 538485230 /nfs/dbraw/zinc/48/52/30/538485230.db2.gz VRRZRYMFWYDZOG-GFCCVEGCSA-N 1 0 228.336 0.999 10 0 BCAERO CC(C)[C@@H](C)C(=O)N1CCO[C@](C)(C[NH3+])C1 ZINC000675060008 538485367 /nfs/dbraw/zinc/48/53/67/538485367.db2.gz ZLIWJVHWJBYDOU-ZYHUDNBSSA-N 1 0 228.336 0.855 10 0 BCAERO CCN1C(=O)CC[C@@H](C[NH3+])[C@H]1c1cnn(C)c1 ZINC000675060164 538485892 /nfs/dbraw/zinc/48/58/92/538485892.db2.gz SPSJEKJDZBPWEY-CABZTGNLSA-N 1 0 236.319 0.678 10 0 BCAERO [NH3+]C[C@@H]1C[C@@H]2C[C@H](NC(=O)C3CC3)[C@@H]2C1 ZINC000675068477 538497239 /nfs/dbraw/zinc/49/72/39/538497239.db2.gz AENKQHZSYZCUTF-WKJUBOCMSA-N 1 0 208.305 0.886 10 0 BCAERO CCNC(=O)NC[C@@H]1C[C@@H]2C[C@@H]([NH3+])[C@@H]2C1 ZINC000675068707 538496792 /nfs/dbraw/zinc/49/67/92/538496792.db2.gz DJPCPHJMZRLEHM-ZYUZMQFOSA-N 1 0 211.309 0.679 10 0 BCAERO [NH3+][C@@H]1C[C@@H]2C[C@@H](CNC(=O)C3CC3)C[C@@H]12 ZINC000675069850 538499136 /nfs/dbraw/zinc/49/91/36/538499136.db2.gz IUGNHKZNCRXVRP-APHKKCJPSA-N 1 0 208.305 0.886 10 0 BCAERO [NH3+]CCNc1nnc(C(F)(F)F)s1 ZINC000168078698 134156038 /nfs/dbraw/zinc/15/60/38/134156038.db2.gz XYDAINQPSFGEIZ-UHFFFAOYSA-N 1 0 212.200 0.928 10 0 BCAERO CCCS(=O)(=O)NC[C@@]12C[C@@H]1CCC[NH2+]2 ZINC000675070299 538501201 /nfs/dbraw/zinc/50/12/01/538501201.db2.gz NXQCOZWNEJYHIE-UWVGGRQHSA-N 1 0 232.349 0.458 10 0 BCAERO CCOC(=O)N1CCC2(CC1)OCC[C@@H]2[NH3+] ZINC000675070807 538501584 /nfs/dbraw/zinc/50/15/84/538501584.db2.gz STLGDACWDKISFT-VIFPVBQESA-N 1 0 228.292 0.725 10 0 BCAERO CC(C)(C)C(=O)N(C1C[NH2+]C1)[C@H]1CCOC1 ZINC000675071216 538501626 /nfs/dbraw/zinc/50/16/26/538501626.db2.gz YDLXYWFEXPMJQS-VIFPVBQESA-N 1 0 226.320 0.622 10 0 BCAERO CCS(=O)(=O)N1CCC[C@@H]2C[C@@]21C[NH3+] ZINC000675071257 538502492 /nfs/dbraw/zinc/50/24/92/538502492.db2.gz ZGAFYZVAERBTOD-RKDXNWHRSA-N 1 0 218.322 0.149 10 0 BCAERO CC(C)CC(=O)N(C1C[NH2+]C1)[C@H]1CCOC1 ZINC000675071263 538502891 /nfs/dbraw/zinc/50/28/91/538502891.db2.gz ZJPGELTZHUPQBR-JTQLQIEISA-N 1 0 226.320 0.622 10 0 BCAERO CC(C)N(C)C(=O)CN1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000167767000 134153648 /nfs/dbraw/zinc/15/36/48/134153648.db2.gz BNRMOZGLBOLNFX-RYUDHWBXSA-N 1 0 241.379 0.770 10 0 BCAERO COc1ccc2c(c1)OCC[NH2+][C@@H]2CO ZINC000675072959 538504491 /nfs/dbraw/zinc/50/44/91/538504491.db2.gz FFXVOVPSPUUGLN-SNVBAGLBSA-N 1 0 209.245 0.711 10 0 BCAERO Cc1cc(CC2=C[C@H](O)C[NH2+]C2)n(C)n1 ZINC000675076817 538511522 /nfs/dbraw/zinc/51/15/22/538511522.db2.gz GJLGEAHULXMYTJ-NSHDSACASA-N 1 0 207.277 0.162 10 0 BCAERO CCS(=O)(=O)NC[C@@H]1C[C@@H]2C[C@@H]([NH3+])[C@@H]2C1 ZINC000675073697 538506007 /nfs/dbraw/zinc/50/60/07/538506007.db2.gz SWJKJUGIWMIJGY-ZYUZMQFOSA-N 1 0 232.349 0.299 10 0 BCAERO COc1ncccc1[C@@H]1CC[NH2+]C[C@@H]1N ZINC000675073671 538506583 /nfs/dbraw/zinc/50/65/83/538506583.db2.gz SMOUNVKYEOYOGU-WPRPVWTQSA-N 1 0 207.277 0.494 10 0 BCAERO [NH3+][C@@H]1C[C@@H]2C[C@@H](CNS(=O)(=O)C3CC3)C[C@H]12 ZINC000675074134 538507109 /nfs/dbraw/zinc/50/71/09/538507109.db2.gz YCRJCZUIPUFXNV-YKDSUIRESA-N 1 0 244.360 0.442 10 0 BCAERO Cn1ncc(N[C@@H]2CCC[NH2+]C2)c(Cl)c1=O ZINC000167909542 134154566 /nfs/dbraw/zinc/15/45/66/134154566.db2.gz ZPOOVHILFGHPJD-SSDOTTSWSA-N 1 0 242.710 0.598 10 0 BCAERO CCCn1nncc1C1=C[C@H]([NH3+])CNC1 ZINC000675077577 538514312 /nfs/dbraw/zinc/51/43/12/538514312.db2.gz GDHNRMDKLQWAQA-VIFPVBQESA-N 1 0 207.281 0.002 10 0 BCAERO COc1ncc(C2=C[C@@H](O)C[NH2+]C2)s1 ZINC000675078173 538515029 /nfs/dbraw/zinc/51/50/29/538515029.db2.gz WOVPRPORJCVIFB-SSDOTTSWSA-N 1 0 212.274 0.499 10 0 BCAERO Nc1cc(CC2=C[C@@H](O)C[NH2+]C2)ccn1 ZINC000675078328 538515567 /nfs/dbraw/zinc/51/55/67/538515567.db2.gz XNRYTYILILTYKL-SNVBAGLBSA-N 1 0 205.261 0.097 10 0 BCAERO [NH3+][C@H]1C=C(c2cnc3n2CCC3)CNC1 ZINC000675078272 538515845 /nfs/dbraw/zinc/51/58/45/538515845.db2.gz OPZIYUTUHQMREL-VIFPVBQESA-N 1 0 204.277 0.143 10 0 BCAERO COCCNC(=O)NC[C@]12C[C@H]1CCC[NH2+]2 ZINC000675079834 538518859 /nfs/dbraw/zinc/51/88/59/538518859.db2.gz JGSPGZAWZZTGGY-MWLCHTKSSA-N 1 0 227.308 0.074 10 0 BCAERO COCCNC(=O)NC[C@@]12C[C@@H]1CCC[NH2+]2 ZINC000675079836 538518884 /nfs/dbraw/zinc/51/88/84/538518884.db2.gz JGSPGZAWZZTGGY-ONGXEEELSA-N 1 0 227.308 0.074 10 0 BCAERO COc1cc(C2=C[C@@H]([NH3+])CNC2)sn1 ZINC000675077287 538512283 /nfs/dbraw/zinc/51/22/83/538512283.db2.gz BUHSZWHMVNGDOY-SSDOTTSWSA-N 1 0 211.290 0.466 10 0 BCAERO CCc1nnc(CC2=C[C@H](O)C[NH2+]C2)s1 ZINC000675076959 538512478 /nfs/dbraw/zinc/51/24/78/538512478.db2.gz HXXSQPZLOBMUAG-QMMMGPOBSA-N 1 0 225.317 0.534 10 0 BCAERO CCn1nc(C)cc1C1=C[C@@H](O)C[NH2+]C1 ZINC000675077305 538512502 /nfs/dbraw/zinc/51/25/02/538512502.db2.gz KZICSYUABUJIAF-SNVBAGLBSA-N 1 0 207.277 0.559 10 0 BCAERO Cc1ncc(CC2=C[C@@H](O)C[NH2+]C2)s1 ZINC000675077269 538512598 /nfs/dbraw/zinc/51/25/98/538512598.db2.gz KQARVIXXCHJONU-SECBINFHSA-N 1 0 210.302 0.885 10 0 BCAERO Nc1ncc(Cl)cc1C1=C[C@@H](O)C[NH2+]C1 ZINC000675077285 538512691 /nfs/dbraw/zinc/51/26/91/538512691.db2.gz KUJYTEONTXIZIL-MRVPVSSYSA-N 1 0 225.679 0.665 10 0 BCAERO CCn1nc(C)cc1C1=C[C@H](O)C[NH2+]C1 ZINC000675077304 538512875 /nfs/dbraw/zinc/51/28/75/538512875.db2.gz KZICSYUABUJIAF-JTQLQIEISA-N 1 0 207.277 0.559 10 0 BCAERO COC(=O)[C@]1([NH3+])CC[C@@H](n2cccn2)C1 ZINC000086626765 538557986 /nfs/dbraw/zinc/55/79/86/538557986.db2.gz ABUWCOXLXBMZMP-SCZZXKLOSA-N 1 0 209.249 0.479 10 0 BCAERO Cn1nc(C2CC2)nc1C[C@H]1CC[NH2+]C1 ZINC000084381287 538532427 /nfs/dbraw/zinc/53/24/27/538532427.db2.gz ZTTPJAIPWXWNBR-MRVPVSSYSA-N 1 0 206.293 0.845 10 0 BCAERO C[C@@H]1CC[C@@](C(N)=O)(N2CC[NH2+]CC2)C[C@@H]1C ZINC000084990741 538536391 /nfs/dbraw/zinc/53/63/91/538536391.db2.gz OCGZKFQCSKTTTE-NTZNESFSSA-N 1 0 239.363 0.572 10 0 BCAERO CC(C)c1cnn(C[C@](C)([NH3+])C(N)=O)c1 ZINC000402144523 538545305 /nfs/dbraw/zinc/54/53/05/538545305.db2.gz YIVQSAOGIPKIRO-JTQLQIEISA-N 1 0 210.281 0.209 10 0 BCAERO COC(=O)[C@]1([NH3+])CC[C@H](n2cccn2)C1 ZINC000086626758 538557145 /nfs/dbraw/zinc/55/71/45/538557145.db2.gz ABUWCOXLXBMZMP-WPRPVWTQSA-N 1 0 209.249 0.479 10 0 BCAERO C[NH2+][C@@]1(C(N)=O)CC[C@H](n2cccn2)C1 ZINC000086626715 538557696 /nfs/dbraw/zinc/55/76/96/538557696.db2.gz JINQTFOVIDLDBJ-WPRPVWTQSA-N 1 0 208.265 0.052 10 0 BCAERO NC(=O)[C@]1([NH3+])CC[C@H](n2cc(Cl)cn2)C1 ZINC000086626965 538557744 /nfs/dbraw/zinc/55/77/44/538557744.db2.gz FUXWNVSYYQWVEF-CBAPKCEASA-N 1 0 228.683 0.444 10 0 BCAERO C[NH2+][C@@]1(C(N)=O)CC[C@H](n2ccnc2)C1 ZINC000086626554 538557867 /nfs/dbraw/zinc/55/78/67/538557867.db2.gz JTIRLNZGVYIUCN-WPRPVWTQSA-N 1 0 208.265 0.052 10 0 BCAERO CCOC(=O)/C=C/CN1CC[NH2+]C[C@H]1C ZINC000087638848 538568640 /nfs/dbraw/zinc/56/86/40/538568640.db2.gz RHKOTPMIYLQNTH-ORAHPGNNSA-N 1 0 212.293 0.399 10 0 BCAERO CC(C)S(=O)(=O)NC[C@H]1CC[NH2+]C[C@@H]1C ZINC000129828920 538578909 /nfs/dbraw/zinc/57/89/09/538578909.db2.gz CRTYRPNDXYOBHT-VHSXEESVSA-N 1 0 234.365 0.560 10 0 BCAERO COC(=O)C(=O)[C@H](C)[C@@H]1C[C@H](C)CC[NH2+]1 ZINC000130372834 538590345 /nfs/dbraw/zinc/59/03/45/538590345.db2.gz GFTWALNKEDJKHP-HLTSFMKQSA-N 1 0 213.277 0.753 10 0 BCAERO CC(C)[C@H](C)C(=O)N1CC(N2CC[NH2+]CC2)C1 ZINC000090308622 538592061 /nfs/dbraw/zinc/59/20/61/538592061.db2.gz YSEYSHGADHTDRH-NSHDSACASA-N 1 0 239.363 0.395 10 0 BCAERO COc1cccc(C[NH2+][C@H](C(N)=O)C(C)C)n1 ZINC000223765402 538594372 /nfs/dbraw/zinc/59/43/72/538594372.db2.gz QSLDQDNLCFTFHI-NSHDSACASA-N 1 0 237.303 0.690 10 0 BCAERO CN1CCO[C@@H](C[N@H+](C)CCCCO)C1 ZINC000384791920 356750933 /nfs/dbraw/zinc/75/09/33/356750933.db2.gz XEJFLGOSAULCLO-NSHDSACASA-N 1 0 216.325 0.021 10 0 BCAERO CCOC(=O)C[C@H](O)C[N@@H+]1CCC[C@H](O)[C@H]1C ZINC000384874448 356788779 /nfs/dbraw/zinc/78/87/79/356788779.db2.gz PJTKHMRHIVCDBR-VWYCJHECSA-N 1 0 245.319 0.146 10 0 BCAERO CSCC[C@@H]([NH3+])C(=O)NCC[C@@H]1CCCO1 ZINC000152140229 356801916 /nfs/dbraw/zinc/80/19/16/356801916.db2.gz XPTVHWMYAJIDRH-VHSXEESVSA-N 1 0 246.376 0.752 10 0 BCAERO CC(C)(C)OC(=O)Cn1ccnc1C[NH3+] ZINC000227608434 538699664 /nfs/dbraw/zinc/69/96/64/538699664.db2.gz IFKWBCYPYUWBBS-UHFFFAOYSA-N 1 0 211.265 0.684 10 0 BCAERO CC[NH+]1CCC([C@H](C[NH3+])C(=O)[O-])CC1 ZINC000258151233 538776314 /nfs/dbraw/zinc/77/63/14/538776314.db2.gz MZTSRKKNBJBVDT-VIFPVBQESA-N 1 0 200.282 0.378 10 0 BCAERO CC[NH+]1CCC([C@@H](C[NH3+])C(=O)[O-])CC1 ZINC000258151227 538776644 /nfs/dbraw/zinc/77/66/44/538776644.db2.gz MZTSRKKNBJBVDT-SECBINFHSA-N 1 0 200.282 0.378 10 0 BCAERO O[C@@H]1CCCC[C@H]1[NH2+]CCc1cnccn1 ZINC000389971633 357075849 /nfs/dbraw/zinc/07/58/49/357075849.db2.gz SDQZZBRYKDLLBM-VXGBXAGGSA-N 1 0 221.304 0.912 10 0 BCAERO OC1(C[NH+]2CC(n3cccn3)C2)CCOCC1 ZINC000585570300 538802942 /nfs/dbraw/zinc/80/29/42/538802942.db2.gz JCKFDJCSUGDPON-UHFFFAOYSA-N 1 0 237.303 0.281 10 0 BCAERO Cc1cc(C[NH2+]C[C@H]2CN(C)CCO2)ccn1 ZINC000391221976 357126681 /nfs/dbraw/zinc/12/66/81/357126681.db2.gz WRKKZXLADHYZSI-ZDUSSCGKSA-N 1 0 235.331 0.810 10 0 BCAERO C[C@@]1(CNS(=O)(=O)C2CC2)CCC[NH2+]1 ZINC000157172752 538810381 /nfs/dbraw/zinc/81/03/81/538810381.db2.gz NNJNEKLMAYZLTL-VIFPVBQESA-N 1 0 218.322 0.210 10 0 BCAERO NC(=O)c1cc(N[C@H]2C[NH+]3CCC2CC3)ccn1 ZINC000035673412 181290809 /nfs/dbraw/zinc/29/08/09/181290809.db2.gz XUUCPGWBUXZOTF-LBPRGKRZSA-N 1 0 246.314 0.687 10 0 BCAERO Cc1nnsc1C[NH2+][C@@H]1CCC(=O)N[C@@H]1C ZINC000392881330 357261435 /nfs/dbraw/zinc/26/14/35/357261435.db2.gz VFUHRJJKMCQZES-HTRCEHHLSA-N 1 0 240.332 0.603 10 0 BCAERO CCOC(=O)c1nc([C@@H]2CC[NH2+]C2)no1 ZINC000259861145 538831437 /nfs/dbraw/zinc/83/14/37/538831437.db2.gz UZSZERPBRKAHLA-ZCFIWIBFSA-N 1 0 211.221 0.323 10 0 BCAERO Cc1nnc2c(NCC(C)(C)[NH3+])nccn12 ZINC000168400227 134197854 /nfs/dbraw/zinc/19/78/54/134197854.db2.gz RSKWQRAHHIIZNF-UHFFFAOYSA-N 1 0 220.280 0.582 10 0 BCAERO [NH3+]C[C@H]1CCCN1C(=O)[C@@H]1CCSC1 ZINC000168860842 357381011 /nfs/dbraw/zinc/38/10/11/357381011.db2.gz QGQGZZDSIKRJFR-RKDXNWHRSA-N 1 0 214.334 0.689 10 0 BCAERO O=C1NCC[C@H]1CC[N@H+]1CC[C@H](CCO)C1 ZINC000395808497 357457290 /nfs/dbraw/zinc/45/72/90/357457290.db2.gz DGGXBBLWBJKCIK-MNOVXSKESA-N 1 0 226.320 0.217 10 0 BCAERO O=C1NCC[C@@H]1CC[N@H+]1CCC[C@H]1CCCO ZINC000396076853 357470708 /nfs/dbraw/zinc/47/07/08/357470708.db2.gz JDKQYQKICGXSPN-NEPJUHHUSA-N 1 0 240.347 0.750 10 0 BCAERO CC(C)N1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2O)C1=O ZINC000583093648 357479238 /nfs/dbraw/zinc/47/92/38/357479238.db2.gz BWTSMGHCZHVRRB-IJLUTSLNSA-N 1 0 240.347 0.889 10 0 BCAERO CC[C@H](C)[C@H]([NH3+])C(=O)N[C@H]1CCC[C@H](O)C1 ZINC000040462108 357480571 /nfs/dbraw/zinc/48/05/71/357480571.db2.gz YYYIZSYPWICBRL-NAKRPEOUSA-N 1 0 228.336 0.780 10 0 BCAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+][C@@H]1COC(C)(C)C1 ZINC000396776849 357483383 /nfs/dbraw/zinc/48/33/83/357483383.db2.gz CEJHGMXWQHHNRI-GUBZILKMSA-N 1 0 226.320 0.811 10 0 BCAERO CCc1nnc(CN(C)[C@H](C)C[NH3+])n1C ZINC000583145404 357494024 /nfs/dbraw/zinc/49/40/24/357494024.db2.gz RPRMVMKOYDUXLL-MRVPVSSYSA-N 1 0 211.313 0.157 10 0 BCAERO CC(C)([NH3+])CC(=O)N[C@H]1CCC[C@@H](O)C1 ZINC000082771938 491112474 /nfs/dbraw/zinc/11/24/74/491112474.db2.gz HKWOCWMMQFCSCC-DTWKUNHWSA-N 1 0 214.309 0.534 10 0 BCAERO CC[C@](C)(O)C[N@@H+]1CCO[C@]2(CCOC2)C1 ZINC000189220940 357610635 /nfs/dbraw/zinc/61/06/35/357610635.db2.gz SGFDJPAJNBBSSK-NWDGAFQWSA-N 1 0 229.320 0.639 10 0 BCAERO CCn1ccnc1CN1CCCNC(=O)[C@@H]1C ZINC000189105299 357615260 /nfs/dbraw/zinc/61/52/60/357615260.db2.gz YHGLFFLRANQMDO-JTQLQIEISA-N 1 0 236.319 0.613 10 0 BCAERO CCCNC(=O)N1CC[C@H]([NH3+])[C@H](F)C1 ZINC000685946571 538885686 /nfs/dbraw/zinc/88/56/86/538885686.db2.gz TWGPMDOSHTUDNM-SFYZADRCSA-N 1 0 203.261 0.477 10 0 BCAERO COCCC(=O)NC[C@]12CC[C@@H]1CC[NH2+]2 ZINC000685946633 538885743 /nfs/dbraw/zinc/88/57/43/538885743.db2.gz LWXMLQCFNYXTDW-MWLCHTKSSA-N 1 0 212.293 0.281 10 0 BCAERO CC(C)S(=O)(=O)N[C@H]1CC[NH2+]C[C@@H]1F ZINC000685945854 538887206 /nfs/dbraw/zinc/88/72/06/538887206.db2.gz CODYTHTWWNUPBI-YUMQZZPRSA-N 1 0 224.301 0.014 10 0 BCAERO CC(C)(C)NC(=O)N[C@@H]1CC[NH2+]C[C@@H]1F ZINC000685946737 538887278 /nfs/dbraw/zinc/88/72/78/538887278.db2.gz VMJBFVLJKUMGOG-JGVFFNPUSA-N 1 0 217.288 0.784 10 0 BCAERO CC[C@@]1([NH3+])CCCN(S(=O)(=O)C(C)C)C1 ZINC000685946905 538888118 /nfs/dbraw/zinc/88/81/18/538888118.db2.gz GIEXAOLPAZAIBS-SNVBAGLBSA-N 1 0 234.365 0.928 10 0 BCAERO CC1(C(=O)N[C@@H]2CC[NH2+]C[C@@H]2F)CC1 ZINC000685946345 538888311 /nfs/dbraw/zinc/88/83/11/538888311.db2.gz PWWJJLPGCAPZIN-JGVFFNPUSA-N 1 0 200.257 0.603 10 0 BCAERO CC(C)CNC(=O)N[C@H]1CC[NH2+]C[C@@H]1F ZINC000685946951 538888761 /nfs/dbraw/zinc/88/87/61/538888761.db2.gz XOGHUSFJGRWLKI-IUCAKERBSA-N 1 0 217.288 0.642 10 0 BCAERO CC[C@]1(NC(=O)NCCOC)CCC[NH2+]C1 ZINC000685947272 538888799 /nfs/dbraw/zinc/88/87/99/538888799.db2.gz KZUFONJTTUWKCF-NSHDSACASA-N 1 0 229.324 0.464 10 0 BCAERO C[NH+](C)CC(=O)NCC[C@@H]1CCCC[C@H]1O ZINC000685947251 538888806 /nfs/dbraw/zinc/88/88/06/538888806.db2.gz KZOJMKNMSGWXQV-WDEREUQCSA-N 1 0 228.336 0.605 10 0 BCAERO COC(=O)[C@@H]1C[NH2+]CC[C@@H]1NCc1ccccc1 ZINC000685947390 538889221 /nfs/dbraw/zinc/88/92/21/538889221.db2.gz VDVZLBDCSUMTDG-OLZOCXBDSA-N 1 0 248.326 0.927 10 0 BCAERO CC(C)NC(=O)NC[C@@]12CC[C@H]1CC[NH2+]2 ZINC000685947422 538889247 /nfs/dbraw/zinc/88/92/47/538889247.db2.gz VJXXQKHPQIBITC-ONGXEEELSA-N 1 0 211.309 0.836 10 0 BCAERO CC1(C(=O)N2CC3(C2)CCC[NH2+]C3)CC1 ZINC000685947882 538889500 /nfs/dbraw/zinc/88/95/00/538889500.db2.gz SRMXONPGSJJYEQ-UHFFFAOYSA-N 1 0 208.305 0.999 10 0 BCAERO CCCS(=O)(=O)N[C@]1(CC)CCC[NH2+]C1 ZINC000685948084 538890331 /nfs/dbraw/zinc/89/03/31/538890331.db2.gz WUVRLKGPMDPBGC-SNVBAGLBSA-N 1 0 234.365 0.848 10 0 BCAERO CC(C)NC(=O)[C@]1(F)C[NH2+]CC12CCC2 ZINC000685948384 538891320 /nfs/dbraw/zinc/89/13/20/538891320.db2.gz LJKSRQRWHGJUKG-LLVKDONJSA-N 1 0 214.284 0.993 10 0 BCAERO CCc1nnc2n1C[C@@H](C[NH2+]C(C)C)NC2 ZINC000685948713 538891933 /nfs/dbraw/zinc/89/19/33/538891933.db2.gz ATLGHOXWPPMEFW-SECBINFHSA-N 1 0 223.324 0.310 10 0 BCAERO CC(C)(C)OC(=O)N1CC[C@@H]1C[C@H](O)C[NH3+] ZINC000685948915 538891979 /nfs/dbraw/zinc/89/19/79/538891979.db2.gz WZHDLBTXZOICKW-BDAKNGLRSA-N 1 0 230.308 0.706 10 0 BCAERO CC(C)(C)OC(=O)[C@@H]1OCC[C@@H]1C[NH3+] ZINC000685949141 538892533 /nfs/dbraw/zinc/89/25/33/538892533.db2.gz LGVFKLPCPHWHSV-HTQZYQBOSA-N 1 0 201.266 0.692 10 0 BCAERO [NH3+][C@H]1C[C@H](N2CCOCC2)C12CCOCC2 ZINC000685949197 538892576 /nfs/dbraw/zinc/89/25/76/538892576.db2.gz LQCHJNXEWSMWIL-QWRGUYRKSA-N 1 0 226.320 0.215 10 0 BCAERO COCCC(=O)N[C@]12CC[NH2+][C@@H]1CCCC2 ZINC000685949531 538892812 /nfs/dbraw/zinc/89/28/12/538892812.db2.gz SUCBQTOCNKUNIT-ZYHUDNBSSA-N 1 0 226.320 0.814 10 0 BCAERO Cc1sc([C@H]2CCC[NH2+]2)nc1C(N)=O ZINC000685949637 538893118 /nfs/dbraw/zinc/89/31/18/538893118.db2.gz VTLPBVTVSSRFMK-ZCFIWIBFSA-N 1 0 211.290 0.975 10 0 BCAERO C[C@H]1C[NH2+]C[C@H](C)C1[NH+]1CC(C(=O)[O-])C1 ZINC000685951002 538894425 /nfs/dbraw/zinc/89/44/25/538894425.db2.gz LHQDCMPNDGCEQS-YUMQZZPRSA-N 1 0 212.293 0.247 10 0 BCAERO C[C@@H]1CN(C2[C@H](C)C[NH2+]C[C@H]2C)CCO1 ZINC000685951180 538894795 /nfs/dbraw/zinc/89/47/95/538894795.db2.gz OXWBRGWVLZQSIS-GMTAPVOTSA-N 1 0 212.337 0.951 10 0 BCAERO CCc1nnc(CN2CC[C@]3(CC[NH2+]C3)C2)n1C ZINC000583263855 357740879 /nfs/dbraw/zinc/74/08/79/357740879.db2.gz WIYKCGJMXMVJKZ-ZDUSSCGKSA-N 1 0 249.362 0.563 10 0 BCAERO [NH3+][C@@H]1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC000085009446 134220543 /nfs/dbraw/zinc/22/05/43/134220543.db2.gz INFSKKRJYCVKHK-PHDIDXHHSA-N 1 0 210.199 0.792 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@H](O)CC(C)(C)C ZINC000235291038 357852408 /nfs/dbraw/zinc/85/24/08/357852408.db2.gz DLDYZGAAVUFUJG-GMTAPVOTSA-N 1 0 242.363 0.755 10 0 BCAERO C[NH+](C)C[C@@H]1CN(C(=O)OCC2CC2)CCO1 ZINC000192884431 357857635 /nfs/dbraw/zinc/85/76/35/357857635.db2.gz BIZVWFBOKNMZLY-LLVKDONJSA-N 1 0 242.319 0.795 10 0 BCAERO C[C@@H]1CN(C(=O)c2cncc(F)c2)C[C@@H]1[NH3+] ZINC000235380719 357859398 /nfs/dbraw/zinc/85/93/98/357859398.db2.gz UDUDMVDRZULTQZ-XCBNKYQSSA-N 1 0 223.251 0.640 10 0 BCAERO Cc1noc(C)c1CC(=O)N1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000235334350 357866236 /nfs/dbraw/zinc/86/62/36/357866236.db2.gz ARLLAMZXQQMXIF-HQJQHLMTSA-N 1 0 237.303 0.640 10 0 BCAERO C[C@@H]1CN(C(=O)c2ccc(F)cn2)C[C@H]1[NH3+] ZINC000235352357 357867127 /nfs/dbraw/zinc/86/71/27/357867127.db2.gz WDUZKRQFIHYYQH-VXNVDRBHSA-N 1 0 223.251 0.640 10 0 BCAERO C[C@@H]1CN(C(=O)c2ccccc2O)C[C@H]1[NH3+] ZINC000235369341 357867749 /nfs/dbraw/zinc/86/77/49/357867749.db2.gz YDOOKTJZECVXDB-PSASIEDQSA-N 1 0 220.272 0.811 10 0 BCAERO C[C@@H]1CN(C(=O)c2cnn3ccccc23)C[C@@H]1[NH3+] ZINC000235371746 357868427 /nfs/dbraw/zinc/86/84/27/357868427.db2.gz JJYPLUZCDCDWCW-KOLCDFICSA-N 1 0 244.298 0.754 10 0 BCAERO C[C@@H]1CN(C(=O)c2ccccc2O)C[C@@H]1[NH3+] ZINC000235369304 357868449 /nfs/dbraw/zinc/86/84/49/357868449.db2.gz YDOOKTJZECVXDB-SCZZXKLOSA-N 1 0 220.272 0.811 10 0 BCAERO O=C1CC[C@@H]2CN(C[C@@H]3CCC[NH2+]C3)CCN12 ZINC000168570038 134227066 /nfs/dbraw/zinc/22/70/66/134227066.db2.gz SAGZMRAWSUIKFV-VXGBXAGGSA-N 1 0 237.347 0.293 10 0 BCAERO CC[N@@H+]1CCC[C@@H]1CN(C)CCOCCO ZINC000086189607 357871756 /nfs/dbraw/zinc/87/17/56/357871756.db2.gz WXLDYLLMSYDPOB-GFCCVEGCSA-N 1 0 230.352 0.411 10 0 BCAERO OCC1(C[N@@H+]2C[C@@H]3CC[C@@H](O)C[C@H]3C2)COC1 ZINC000398769335 357882181 /nfs/dbraw/zinc/88/21/81/357882181.db2.gz GGPYYCOFMSSCPY-SDDRHHMPSA-N 1 0 241.331 0.088 10 0 BCAERO C[NH2+][C@H](C)C(=O)NC[C@@H](C)C[C@@H](C)O ZINC000398651044 357889163 /nfs/dbraw/zinc/88/91/63/357889163.db2.gz YLGGFOFYXIPQPR-DJLDLDEBSA-N 1 0 202.298 0.118 10 0 BCAERO C[C@H]1CN(C(=O)Cc2ccncc2)C[C@H]1[NH3+] ZINC000235627619 357926514 /nfs/dbraw/zinc/92/65/14/357926514.db2.gz IFUZWBXGMRVQAV-GXSJLCMTSA-N 1 0 219.288 0.430 10 0 BCAERO C[C@@H]1C[C@H](O)CC[N@@H+]1CCc1cnn(C)c1 ZINC000639938625 357944203 /nfs/dbraw/zinc/94/42/03/357944203.db2.gz GKKPXLFJYSQPFQ-ZYHUDNBSSA-N 1 0 223.320 0.808 10 0 BCAERO C[C@@H]1C[C@H](O)CC[N@@H+]1CCC(=O)N(C)C ZINC000639939052 357946217 /nfs/dbraw/zinc/94/62/17/357946217.db2.gz VDMNHXWTZKBOAM-NXEZZACHSA-N 1 0 214.309 0.310 10 0 BCAERO C[C@@H]1C[C@H](O)CC[N@@H+]1CCc1ccnn1C ZINC000639938351 357948123 /nfs/dbraw/zinc/94/81/23/357948123.db2.gz UMEILEUEHOUGAK-ZYHUDNBSSA-N 1 0 223.320 0.808 10 0 BCAERO CCN(C)C(=O)C[N@@H+]1CC[C@@H](O)C[C@H]1C ZINC000639941692 357953174 /nfs/dbraw/zinc/95/31/74/357953174.db2.gz ORJKSOJRMJDOHU-NXEZZACHSA-N 1 0 214.309 0.310 10 0 BCAERO C[C@@H]1C[C@H](O)CC[N@@H+]1CC(=O)N1CCCCC1 ZINC000639940948 357956948 /nfs/dbraw/zinc/95/69/48/357956948.db2.gz QLEDXQUVCYSNPB-VXGBXAGGSA-N 1 0 240.347 0.844 10 0 BCAERO CC(C)S(=O)(=O)N1CC[C@H]([NH3+])C[C@@H]1C ZINC000168903615 357998087 /nfs/dbraw/zinc/99/80/87/357998087.db2.gz ZDSLRUWQPNJZNO-IUCAKERBSA-N 1 0 220.338 0.536 10 0 BCAERO COC(=O)[C@H](C)N1CC[C@@H]([NH3+])C[C@@H]1C ZINC000168968212 358001716 /nfs/dbraw/zinc/00/17/16/358001716.db2.gz FMPVVBXVEZRJIF-XHNCKOQMSA-N 1 0 200.282 0.360 10 0 BCAERO CC(C)CC(C)(C)C(=O)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000262140499 535382046 /nfs/dbraw/zinc/38/20/46/535382046.db2.gz HDZQBKHZZFZPQG-WDEREUQCSA-N 1 0 242.363 0.755 10 0 BCAERO COC[C@H]([NH3+])C(=O)N1C[C@@H](C)S[C@@H](C)C1 ZINC000220180814 358019158 /nfs/dbraw/zinc/01/91/58/358019158.db2.gz UUFIGJIOJAUHKO-YIZRAAEISA-N 1 0 232.349 0.313 10 0 BCAERO C[C@@H]([NH2+][C@H]1CCC(=O)N(C)C1=O)[C@H]1C[C@H]1C ZINC000321610108 259476367 /nfs/dbraw/zinc/47/63/67/259476367.db2.gz ZDZIMZPKBKEVTH-IMSYWVGJSA-N 1 0 224.304 0.768 10 0 BCAERO NC(=O)c1ccc(C[N@@H+]2CC[C@@H](O)C2)c(F)c1 ZINC000061707964 181294348 /nfs/dbraw/zinc/29/43/48/181294348.db2.gz CCMFBIPKFYCEOJ-SNVBAGLBSA-N 1 0 238.262 0.491 10 0 BCAERO C[C@H](NC(=O)C[C@H]1CCC[NH2+]1)[C@@H]1CCCO1 ZINC000217950202 134251236 /nfs/dbraw/zinc/25/12/36/134251236.db2.gz SNXDHEOELZUQNT-AXFHLTTASA-N 1 0 226.320 0.812 10 0 BCAERO C[C@H](O)C[NH2+]C[C@@H](O)COCc1ccco1 ZINC000037853036 358095737 /nfs/dbraw/zinc/09/57/37/358095737.db2.gz SRZTXQJQGHEJNU-VHSXEESVSA-N 1 0 229.276 0.128 10 0 BCAERO O[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1COCCO1 ZINC000038061325 358111584 /nfs/dbraw/zinc/11/15/84/358111584.db2.gz WSOLRNAWGJLEES-GMTAPVOTSA-N 1 0 215.293 0.295 10 0 BCAERO OCCC[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000171635150 134257175 /nfs/dbraw/zinc/25/71/75/134257175.db2.gz JLQYIVWPXJXWSG-JTQLQIEISA-N 1 0 210.281 0.297 10 0 BCAERO O=C1OCC[C@H]1N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171638434 134257592 /nfs/dbraw/zinc/25/75/92/134257592.db2.gz DPKGGSFETOWQPA-VHSXEESVSA-N 1 0 210.277 0.082 10 0 BCAERO Cc1nc(CN2CC[N@@H+]3CCC[C@@H]3C2)no1 ZINC000171639733 134257777 /nfs/dbraw/zinc/25/77/77/134257777.db2.gz KMYQHWJHTLALFT-SNVBAGLBSA-N 1 0 222.292 0.658 10 0 BCAERO CCOCC[N@@H+]1CCC[C@@H](n2cncn2)C1 ZINC000171635363 134257780 /nfs/dbraw/zinc/25/77/80/134257780.db2.gz YMIXDSVCTMSMNG-LLVKDONJSA-N 1 0 224.308 0.952 10 0 BCAERO C[C@H]1C[N@H+](CCCC(=O)NC(N)=O)CCS1 ZINC000171687263 134260083 /nfs/dbraw/zinc/26/00/83/134260083.db2.gz GFICSMFHMYTGSK-QMMMGPOBSA-N 1 0 245.348 0.399 10 0 BCAERO C#C[C@@H](c1cccnc1C)N1CC[NH2+]CC1 ZINC000038867388 358210214 /nfs/dbraw/zinc/21/02/14/358210214.db2.gz YPGWZNFRSPKWFA-ZDUSSCGKSA-N 1 0 215.300 0.970 10 0 BCAERO O=C(Cc1cccc(Cl)c1)NC1C[NH2+]C1 ZINC000085255707 134261965 /nfs/dbraw/zinc/26/19/65/134261965.db2.gz XHMSYNIONFOHSN-UHFFFAOYSA-N 1 0 224.691 0.971 10 0 BCAERO COC(C[NH2+]C[C@@H](O)Cc1ccccc1)OC ZINC000584595142 358252524 /nfs/dbraw/zinc/25/25/24/358252524.db2.gz VKULNSZHZRKERO-LBPRGKRZSA-N 1 0 239.315 0.799 10 0 BCAERO C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCO2)C1 ZINC000134602055 325366812 /nfs/dbraw/zinc/36/68/12/325366812.db2.gz UGNHZBQXZLBWGQ-ZJUUUORDSA-N 1 0 212.293 0.328 10 0 BCAERO C[C@H](O)CCSC[C@H]1C[NH2+]C[C@@H]1O ZINC000584608985 358269793 /nfs/dbraw/zinc/26/97/93/358269793.db2.gz PEDCWOGHSGEIOQ-YIZRAAEISA-N 1 0 205.323 0.071 10 0 BCAERO NC(=O)c1ncc(NC2C[NH2+]C2)c2cc[nH]c21 ZINC000584620133 358286971 /nfs/dbraw/zinc/28/69/71/358286971.db2.gz PCLUWPJPDHYQRB-UHFFFAOYSA-N 1 0 231.259 0.046 10 0 BCAERO CC1=C(N2CC3(CC[NH2+]CC3)C2=O)COC1=O ZINC000584624279 358292365 /nfs/dbraw/zinc/29/23/65/358292365.db2.gz QLTLZURPAMUESB-UHFFFAOYSA-N 1 0 236.271 0.029 10 0 BCAERO O=Cc1cccc(C(=O)[C@H]2[NH2+]CC[C@@H]2O)c1 ZINC000584630063 358299555 /nfs/dbraw/zinc/29/95/55/358299555.db2.gz YXPGYHJSAHADRF-QWRGUYRKSA-N 1 0 219.240 0.405 10 0 BCAERO CN(C(=O)c1ccncc1F)C1C[NH2+]C1 ZINC000085257652 134269327 /nfs/dbraw/zinc/26/93/27/134269327.db2.gz WPLGJLGRUGTAPA-UHFFFAOYSA-N 1 0 209.224 0.265 10 0 BCAERO O[C@@H]1CC[NH2+]C[C@H]1Nc1ncnc2[nH]ccc21 ZINC000584637108 358322371 /nfs/dbraw/zinc/32/23/71/358322371.db2.gz UVDKSHCSYRTMNF-RKDXNWHRSA-N 1 0 233.275 0.093 10 0 BCAERO c1cc2nc(N3CC[NH2+]CC3)cnc2[nH]1 ZINC000584638784 358324638 /nfs/dbraw/zinc/32/46/38/358324638.db2.gz JEZIDMWQHVNZDG-UHFFFAOYSA-N 1 0 203.249 0.368 10 0 BCAERO COC(=O)C[C@](C)([NH3+])c1cnc(OC)nc1 ZINC000584639303 358324688 /nfs/dbraw/zinc/32/46/88/358324688.db2.gz MMVZWFNLWNKKRK-JTQLQIEISA-N 1 0 225.248 0.222 10 0 BCAERO COc1ccc2c(n1)C1(CC[NH2+]CC1)OC2=O ZINC000584643046 358327993 /nfs/dbraw/zinc/32/79/93/358327993.db2.gz KSLKQHYCMHWHBK-UHFFFAOYSA-N 1 0 234.255 0.839 10 0 BCAERO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1O)c1nncn1C ZINC000226229104 358335814 /nfs/dbraw/zinc/33/58/14/358335814.db2.gz XZGITMNIJVCTIY-OPRDCNLKSA-N 1 0 224.308 0.769 10 0 BCAERO CN1C(=O)CC[C@H]([NH2+][C@@H]2CCCC[C@H]2O)C1=O ZINC000226233200 358336241 /nfs/dbraw/zinc/33/62/41/358336241.db2.gz ZDZAORGMYOYMBG-KXUCPTDWSA-N 1 0 240.303 0.027 10 0 BCAERO CN1C(=O)CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2O)C1=O ZINC000226233190 358336286 /nfs/dbraw/zinc/33/62/86/358336286.db2.gz ZDZAORGMYOYMBG-OPRDCNLKSA-N 1 0 240.303 0.027 10 0 BCAERO COCCN(C)CC[NH2+][C@@H]1CCCC[C@H]1O ZINC000226229757 358336595 /nfs/dbraw/zinc/33/65/95/358336595.db2.gz ABDQSVQMKGUFPH-VXGBXAGGSA-N 1 0 230.352 0.458 10 0 BCAERO CN1C[C@@H]([NH2+][C@@H]2CCCC[C@H]2O)CCC1=O ZINC000226231079 358336690 /nfs/dbraw/zinc/33/66/90/358336690.db2.gz AAGMVMMTPORVMO-HBNTYKKESA-N 1 0 226.320 0.500 10 0 BCAERO Cc1c(CNC[C@@H]2CCC[NH2+]C2)cnn1C ZINC000226302239 358337266 /nfs/dbraw/zinc/33/72/66/358337266.db2.gz OQDLYVAEIDQQRF-LLVKDONJSA-N 1 0 222.336 0.818 10 0 BCAERO CCn1ncnc1CN(C)[C@H]1CCC[NH2+]CC1 ZINC000226466567 358339943 /nfs/dbraw/zinc/33/99/43/358339943.db2.gz KMPQAJUAXYRYJK-NSHDSACASA-N 1 0 237.351 0.872 10 0 BCAERO CN1CCN(c2ncccc2F)[C@@H](C[NH3+])C1 ZINC000226622539 358341460 /nfs/dbraw/zinc/34/14/60/358341460.db2.gz CBZYDDANQDULOA-VIFPVBQESA-N 1 0 224.283 0.300 10 0 BCAERO O=C(N[C@@H]1CCCC[C@H]1O)[C@H]1CC[NH2+]C1 ZINC000227327011 358354347 /nfs/dbraw/zinc/35/43/47/358354347.db2.gz WPJNNSPJQCWZSR-IVZWLZJFSA-N 1 0 212.293 0.016 10 0 BCAERO C[C@@H](NC(=O)[C@@]1(C)CCC[NH2+]1)c1cn[nH]c1 ZINC000226697267 358342607 /nfs/dbraw/zinc/34/26/07/358342607.db2.gz VVPCJZCVIQLGRM-LDYMZIIASA-N 1 0 222.292 0.729 10 0 BCAERO CC(C)(CC(N)=O)NC(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000227065864 358348261 /nfs/dbraw/zinc/34/82/61/358348261.db2.gz QTCYDORUGNDIBK-IUCAKERBSA-N 1 0 241.335 0.274 10 0 BCAERO [NH3+][C@H]1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2O)C1 ZINC000227327455 358353811 /nfs/dbraw/zinc/35/38/11/358353811.db2.gz SPPIMLKNKHGWLF-UKKRHICBSA-N 1 0 226.320 0.534 10 0 BCAERO C[NH2+][C@H](C)C(=O)N[C@@H]1c2ccccc2C[C@@H]1O ZINC000227332942 358353924 /nfs/dbraw/zinc/35/39/24/358353924.db2.gz PUYKXQWPMKZWTN-JFUSQASVSA-N 1 0 234.299 0.369 10 0 BCAERO NC(=O)c1ccc(F)c2c1C[C@@H]([NH3+])CO2 ZINC000036473104 181297377 /nfs/dbraw/zinc/29/73/77/181297377.db2.gz CQZHUEJNSOTLNG-RXMQYKEDSA-N 1 0 210.208 0.187 10 0 BCAERO C[C@@H]([NH3+])C[C@@H](C)Nc1ncnc2c1cnn2C ZINC000228267665 358372084 /nfs/dbraw/zinc/37/20/84/358372084.db2.gz CMSOSPXOCDXAHP-HTQZYQBOSA-N 1 0 234.307 0.901 10 0 BCAERO CS[C@H](CO)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1O ZINC000228380908 358374665 /nfs/dbraw/zinc/37/46/65/358374665.db2.gz QFCLOQQYLGCCKH-LNFKQOIKSA-N 1 0 233.377 0.992 10 0 BCAERO CC(C)[C@H]([NH3+])CCN(C)c1nnnn1C ZINC000227737699 358362977 /nfs/dbraw/zinc/36/29/77/358362977.db2.gz WAXYYMUWKFQFJC-MRVPVSSYSA-N 1 0 212.301 0.020 10 0 BCAERO CCCCOC[C@H](O)C[NH2+][C@@H](CC)CO ZINC000227888784 358365264 /nfs/dbraw/zinc/36/52/64/358365264.db2.gz RRIGOQAKPVZNQM-WDEREUQCSA-N 1 0 219.325 0.525 10 0 BCAERO CCCCOC[C@@H](O)C[NH2+][C@@H]1CCCOC1 ZINC000227892629 358365269 /nfs/dbraw/zinc/36/52/69/358365269.db2.gz LSGNVBCHPGAWMU-NEPJUHHUSA-N 1 0 231.336 0.933 10 0 BCAERO CCCCOC[C@@H](O)C[NH2+][C@H](C)COC ZINC000227886934 358365500 /nfs/dbraw/zinc/36/55/00/358365500.db2.gz YMWWKPOPYBLHIB-MNOVXSKESA-N 1 0 219.325 0.789 10 0 BCAERO C[C@H](NC(=O)[C@H]1CC[C@@H]([NH3+])C1)c1cn[nH]c1 ZINC000229702659 358406813 /nfs/dbraw/zinc/40/68/13/358406813.db2.gz VQROJEPPDCUAOZ-OYNCUSHFSA-N 1 0 222.292 0.714 10 0 BCAERO C[C@@H](NC(=O)C[C@H]1CCC[NH2+]C1)c1cn[nH]c1 ZINC000229702008 358406884 /nfs/dbraw/zinc/40/68/84/358406884.db2.gz KHPAXLXHELOXEE-NXEZZACHSA-N 1 0 236.319 0.977 10 0 BCAERO CSCC[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000173955293 134276858 /nfs/dbraw/zinc/27/68/58/134276858.db2.gz BQVYYBJQXMIHLU-LLVKDONJSA-N 1 0 230.377 0.756 10 0 BCAERO CC(C)OCC[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000173941911 134277181 /nfs/dbraw/zinc/27/71/81/134277181.db2.gz OCKWFKSNVNXVSB-ZDUSSCGKSA-N 1 0 242.363 0.818 10 0 BCAERO C[NH2+][C@H](C)C(=O)N1CC[C@@H](C)[C@@H](OC)C1 ZINC000230242991 358396396 /nfs/dbraw/zinc/39/63/96/358396396.db2.gz FENMNCWGHBEDSC-BBBLOLIVSA-N 1 0 214.309 0.478 10 0 BCAERO CC(C)(CNC(=O)C[C@@H]1CCC[NH2+]C1)C(N)=O ZINC000230391686 358398909 /nfs/dbraw/zinc/39/89/09/358398909.db2.gz MFYDRYOMLHYOTJ-VIFPVBQESA-N 1 0 241.335 0.004 10 0 BCAERO CC(C)[N@H+]1C[C@H](NS(=O)(=O)N(C)C)[C@@H](C)C1 ZINC000174004029 134280394 /nfs/dbraw/zinc/28/03/94/134280394.db2.gz DOJVSNVSRHLCMW-UWVGGRQHSA-N 1 0 249.380 0.111 10 0 BCAERO CCNS(=O)(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000174005381 134280423 /nfs/dbraw/zinc/28/04/23/134280423.db2.gz MQDOTOIAZKECGG-VHSXEESVSA-N 1 0 249.380 0.159 10 0 BCAERO CCc1nn(C)cc1NC(=O)[C@@H]1CC[NH2+]C1 ZINC000231085786 358414421 /nfs/dbraw/zinc/41/44/21/358414421.db2.gz QEDMLFYONZLBFG-MRVPVSSYSA-N 1 0 222.292 0.531 10 0 BCAERO C[NH2+][C@H](C)C(=O)N[C@H](CCO)C(C)C ZINC000231080693 358414446 /nfs/dbraw/zinc/41/44/46/358414446.db2.gz IUNSEELTPGTZQL-RKDXNWHRSA-N 1 0 202.298 0.118 10 0 BCAERO CCc1cnc(CNC(=O)[C@@H](C)[NH2+]C)o1 ZINC000231646934 358418870 /nfs/dbraw/zinc/41/88/70/358418870.db2.gz WIRQAKFIPQRCHB-SSDOTTSWSA-N 1 0 211.265 0.461 10 0 BCAERO OC[C@@H]1CN(CCC[C@@H]2CCOC2)CCO1 ZINC000400502045 491132824 /nfs/dbraw/zinc/13/28/24/491132824.db2.gz HEUKNPWLMTWSJW-NEPJUHHUSA-N 1 0 229.320 0.496 10 0 BCAERO CCC1CCC(NC(=O)C(=O)NCC[NH3+])CC1 ZINC000042577294 358526960 /nfs/dbraw/zinc/52/69/60/358526960.db2.gz WHAWGPVZUJQVTB-UHFFFAOYSA-N 1 0 241.335 0.146 10 0 BCAERO [NH3+]C[C@@H]1CCCN1C(=O)c1ccc(F)cn1 ZINC000130018611 358605716 /nfs/dbraw/zinc/60/57/16/358605716.db2.gz DPBOJBFHKOALEG-VIFPVBQESA-N 1 0 223.251 0.784 10 0 BCAERO CCCC[C@@H](C[NH3+])Nc1ccc(C(N)=O)nn1 ZINC000130563542 358631658 /nfs/dbraw/zinc/63/16/58/358631658.db2.gz XKQDVBHLRWQNMK-QMMMGPOBSA-N 1 0 237.307 0.505 10 0 BCAERO Cc1cnccc1CNC(=O)[C@H]1CC[NH2+]C1 ZINC000129841050 358599282 /nfs/dbraw/zinc/59/92/82/358599282.db2.gz CETFQEDRZCXPNO-NSHDSACASA-N 1 0 219.288 0.616 10 0 BCAERO COC(=O)CC[N@H+]1[C@H](C)COC[C@@H]1C ZINC000133196178 358747489 /nfs/dbraw/zinc/74/74/89/358747489.db2.gz HHEJXPXDMJWFGR-DTORHVGOSA-N 1 0 201.266 0.659 10 0 BCAERO C[C@@]1([NH2+]Cc2cnc(N)s2)CCOC1 ZINC000306148353 358758963 /nfs/dbraw/zinc/75/89/63/358758963.db2.gz BAUKURSDWIQXJX-SECBINFHSA-N 1 0 213.306 0.994 10 0 BCAERO FCCC[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000133793411 358768453 /nfs/dbraw/zinc/76/84/53/358768453.db2.gz IGPQSNYMFMWPIP-LLVKDONJSA-N 1 0 216.300 0.753 10 0 BCAERO COC(=O)CN(C[C@@H]1CCC[N@@H+]1C)C(C)C ZINC000387317217 363618105 /nfs/dbraw/zinc/61/81/05/363618105.db2.gz BZDUMDWTEAXZCH-NSHDSACASA-N 1 0 228.336 0.964 10 0 BCAERO CN(C)C(=O)CC[N@@H+]1CCC[C@H]1CCCO ZINC000052762506 358792495 /nfs/dbraw/zinc/79/24/95/358792495.db2.gz WWWIQEIRCWCHKG-NSHDSACASA-N 1 0 228.336 0.702 10 0 BCAERO CC(C)CNC(=O)[C@H](C)[NH2+][C@H]1CCO[C@H]1C ZINC000134543384 358794309 /nfs/dbraw/zinc/79/43/09/358794309.db2.gz JHAAMIHBLWWBNN-DCAQKATOSA-N 1 0 228.336 0.914 10 0 BCAERO CN[C@@]1(C(F)F)CCS(=O)(=O)[C@H]1C ZINC000306150348 358871420 /nfs/dbraw/zinc/87/14/20/358871420.db2.gz FUCKSWCXQXKCIF-FSPLSTOPSA-N 1 0 213.249 0.417 10 0 BCAERO O=C1OCC[C@H]1CCN1CC[N@@H+]2CCC[C@H]2C1 ZINC000177665152 134300700 /nfs/dbraw/zinc/30/07/00/134300700.db2.gz PPKQFYRYZXYXDQ-NEPJUHHUSA-N 1 0 238.331 0.720 10 0 BCAERO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)[C@@H]1CCCO1 ZINC000035734964 358946068 /nfs/dbraw/zinc/94/60/68/358946068.db2.gz NMHFVUMHHKEWPM-GUBZILKMSA-N 1 0 214.309 0.653 10 0 BCAERO C[C@@H]1SCC[C@@H]1[NH2+][C@H]1CNC(=O)C1 ZINC000300395099 358987706 /nfs/dbraw/zinc/98/77/06/358987706.db2.gz SOPRMPLZJCQZCW-RNJXMRFFSA-N 1 0 200.307 0.359 10 0 BCAERO [NH3+]C[C@H]1CN(c2nccs2)CCCO1 ZINC000306183016 359000154 /nfs/dbraw/zinc/00/01/54/359000154.db2.gz YKXFRVAPKGJIOM-QMMMGPOBSA-N 1 0 213.306 0.697 10 0 BCAERO [NH3+][C@]1(C2CCCC2)CCS(=O)(=O)C1 ZINC000306186223 359001923 /nfs/dbraw/zinc/00/19/23/359001923.db2.gz ADHLLEDALQKNDJ-SECBINFHSA-N 1 0 203.307 0.693 10 0 BCAERO [NH3+]C[C@@H](C(=O)[O-])[NH+]1CCC2(CCC2)CC1 ZINC000306188214 359004477 /nfs/dbraw/zinc/00/44/77/359004477.db2.gz CKDNNFDEEGFMGD-VIFPVBQESA-N 1 0 212.293 0.664 10 0 BCAERO NC(=O)c1ccc(N[C@@H]2CCC[NH2+]C2)cc1 ZINC000043324045 181299702 /nfs/dbraw/zinc/29/97/02/181299702.db2.gz MQTIJIWEYXNPKT-LLVKDONJSA-N 1 0 219.288 0.949 10 0 BCAERO NC(=O)c1ccc(N[C@@H]2CCCC[C@@H]2[NH3+])nc1 ZINC000038050973 181299771 /nfs/dbraw/zinc/29/97/71/181299771.db2.gz IKVNEICVHAGAJS-VHSXEESVSA-N 1 0 234.303 0.862 10 0 BCAERO O=C1OCC[C@@H]1CCN1CC[N@@H+]2CCC[C@H]2C1 ZINC000246978915 359180242 /nfs/dbraw/zinc/18/02/42/359180242.db2.gz PPKQFYRYZXYXDQ-RYUDHWBXSA-N 1 0 238.331 0.720 10 0 BCAERO C[NH+](C)C[C@H]1CN(C[C@H]2CCCO2)CCO1 ZINC000247042856 359190225 /nfs/dbraw/zinc/19/02/25/359190225.db2.gz DWIJGSAYIZXVFY-NEPJUHHUSA-N 1 0 228.336 0.428 10 0 BCAERO COCCC[N@@H+]1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000246554178 359147070 /nfs/dbraw/zinc/14/70/70/359147070.db2.gz UGHNGLUUJZQLIN-QWHCGFSZSA-N 1 0 242.363 0.675 10 0 BCAERO CCOC[C@@H](O)CN1CC[N@@H+]2CCCC[C@H]2C1 ZINC000246615490 359151503 /nfs/dbraw/zinc/15/15/03/359151503.db2.gz XGUQMSKIRBPKGJ-STQMWFEESA-N 1 0 242.363 0.554 10 0 BCAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NS(=O)(=O)N(C)C)C1 ZINC000246841766 359168847 /nfs/dbraw/zinc/16/88/47/359168847.db2.gz DOJVSNVSRHLCMW-VHSXEESVSA-N 1 0 249.380 0.111 10 0 BCAERO C[C@H](CS(C)(=O)=O)[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000246942773 359176337 /nfs/dbraw/zinc/17/63/37/359176337.db2.gz JRWNMEABOFKACH-OUAUKWLOSA-N 1 0 249.376 0.560 10 0 BCAERO CC[C@H](O)C[N@@H+]1CCN(C[C@H](C)O)[C@@H](CC)C1 ZINC000247869140 359246553 /nfs/dbraw/zinc/24/65/53/359246553.db2.gz XGMPKOFYPOGKNV-AVGNSLFASA-N 1 0 244.379 0.534 10 0 BCAERO CC[C@H](C(=O)N1C[C@H](C)O[C@@H](C)C1)[NH+](C)C ZINC000248040149 359253170 /nfs/dbraw/zinc/25/31/70/359253170.db2.gz SPEYOKMVXVWZAJ-GARJFASQSA-N 1 0 228.336 0.962 10 0 BCAERO CCC[N@@H+]1CCN(C[C@@H](C)O)[C@@H](C)C1 ZINC000247157608 359197853 /nfs/dbraw/zinc/19/78/53/359197853.db2.gz LZLLHLJFNSDPPW-WDEREUQCSA-N 1 0 200.326 0.783 10 0 BCAERO CC[C@@H](C)NC(=O)CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000247251054 359204853 /nfs/dbraw/zinc/20/48/53/359204853.db2.gz TZDOUJYUCKYSNT-NEPJUHHUSA-N 1 0 239.363 0.681 10 0 BCAERO C[C@@H](CCCCO)[NH2+][C@@H]1CCCNC1=O ZINC000308888076 491139751 /nfs/dbraw/zinc/13/97/51/491139751.db2.gz WMQKZUUBGDKTBP-VHSXEESVSA-N 1 0 214.309 0.406 10 0 BCAERO CCN1CCC[N@@H+]([C@@H](C)[C@@H](C)O)CC1 ZINC000306224951 359354761 /nfs/dbraw/zinc/35/47/61/359354761.db2.gz BKXOBKMMPASNEM-WDEREUQCSA-N 1 0 200.326 0.783 10 0 BCAERO C[C@@H]1CCN(Cc2csnn2)C[C@H]1[NH3+] ZINC000306217934 359329894 /nfs/dbraw/zinc/32/98/94/359329894.db2.gz DRRRKTJSQQUNSG-VXNVDRBHSA-N 1 0 212.322 0.707 10 0 BCAERO COCCC[N@@H+]1CC[C@H]2OCCN[C@@H]2C1 ZINC000404235333 359349627 /nfs/dbraw/zinc/34/96/27/359349627.db2.gz TUZDXJKGYJSCKS-GHMZBOCLSA-N 1 0 214.309 0.086 10 0 BCAERO CN1C(=S)N=NC1CC[NH+]1CCCC1 ZINC000228197099 359417676 /nfs/dbraw/zinc/41/76/76/359417676.db2.gz WKXWEIQOQUEDKE-UHFFFAOYSA-N 1 0 212.322 0.742 10 0 BCAERO CCS(=O)(=O)N1CCC[C@@H]([NH3+])CC1 ZINC000306248740 359445422 /nfs/dbraw/zinc/44/54/22/359445422.db2.gz YZMOCTOQKOHAJY-MRVPVSSYSA-N 1 0 206.311 0.149 10 0 BCAERO COC(=O)C1([NH3+])C[C@H]2CC[C@@H](C1)S2 ZINC000403539070 359479650 /nfs/dbraw/zinc/47/96/50/359479650.db2.gz FHLDBNKQKMOSDJ-AVSFMBPQSA-N 1 0 201.291 0.915 10 0 BCAERO C[C@H](CO)Nc1[nH+]ncc(N)c1Cl ZINC000306299745 359547778 /nfs/dbraw/zinc/54/77/78/359547778.db2.gz FBZWIOQJGRJZOI-SCSAIBSYSA-N 1 0 202.645 0.505 10 0 BCAERO CC[C@H]1CN(C(=O)[C@@H]2CC[NH2+]C2)CCS1 ZINC000158370141 359548031 /nfs/dbraw/zinc/54/80/31/359548031.db2.gz AFPUWSMIDFLGKK-ZJUUUORDSA-N 1 0 228.361 0.950 10 0 BCAERO CCn1cc(C[NH2+][C@H]2CCOC[C@H]2O)cn1 ZINC000623764532 359527631 /nfs/dbraw/zinc/52/76/31/359527631.db2.gz GGOJXDZOCDNROH-WDEREUQCSA-N 1 0 225.292 0.142 10 0 BCAERO CCn1cc(C[NH2+][C@@H]2CCOC[C@@H]2O)cn1 ZINC000623764530 359527684 /nfs/dbraw/zinc/52/76/84/359527684.db2.gz GGOJXDZOCDNROH-MNOVXSKESA-N 1 0 225.292 0.142 10 0 BCAERO [NH3+]C[C@@]1(Cc2cnns2)CCCCO1 ZINC000306309518 359591066 /nfs/dbraw/zinc/59/10/66/359591066.db2.gz LNABTCIMJHGKME-VIFPVBQESA-N 1 0 213.306 0.979 10 0 BCAERO CC[C@@H]([NH3+])C(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000086932284 359592042 /nfs/dbraw/zinc/59/20/42/359592042.db2.gz HBXIQPSTUIZWQX-HBNTYKKESA-N 1 0 225.336 0.419 10 0 BCAERO CC1(C)C[N@H+](CCC(N)=S)CC[C@H]1O ZINC000306326872 359608848 /nfs/dbraw/zinc/60/88/48/359608848.db2.gz XGMLNNOMQLEQTQ-MRVPVSSYSA-N 1 0 216.350 0.755 10 0 BCAERO C[NH2+][C@@H](C)C(=O)N[C@H]1CCC(F)(F)C1 ZINC000306328185 359610778 /nfs/dbraw/zinc/61/07/78/359610778.db2.gz YDZUUBLFMLUQKC-BQBZGAKWSA-N 1 0 206.236 0.898 10 0 BCAERO CCOC(=O)[C@]1(O)CC[N@@H+]2CCCC[C@H]21 ZINC000228272922 359622831 /nfs/dbraw/zinc/62/28/31/359622831.db2.gz OOXKQKAMBNTFIS-ONGXEEELSA-N 1 0 213.277 0.539 10 0 BCAERO O[C@H]1COCC[C@H]1[NH2+]Cc1ccsc1 ZINC000623764755 359629617 /nfs/dbraw/zinc/62/96/17/359629617.db2.gz JMQVOERPMPFRMX-ZJUUUORDSA-N 1 0 213.302 0.988 10 0 BCAERO C[C@@H]1CC[NH2+][C@@H]1C(=O)N=S(C)(C)=O ZINC000306349012 359669400 /nfs/dbraw/zinc/66/94/00/359669400.db2.gz KCWIYPBZCDNBEF-RQJHMYQMSA-N 1 0 204.295 0.239 10 0 BCAERO [NH3+][C@@H]1CCN(Cc2cnc(Cl)cn2)C1 ZINC000231292638 359706082 /nfs/dbraw/zinc/70/60/82/359706082.db2.gz COWSUDVXEXPJGR-SSDOTTSWSA-N 1 0 212.684 0.663 10 0 BCAERO CCN1CCO[C@H](C[NH2+]CC2(F)CC2)C1 ZINC000309066363 491143929 /nfs/dbraw/zinc/14/39/29/491143929.db2.gz ZQPMSJCCGBNDHI-SNVBAGLBSA-N 1 0 216.300 0.799 10 0 BCAERO C[NH2+]C[C@@H]1C[C@@]12CCS(=O)(=O)[C@H]2C ZINC000306389051 359744029 /nfs/dbraw/zinc/74/40/29/359744029.db2.gz QGIZVNMVXHFANI-XHNCKOQMSA-N 1 0 203.307 0.419 10 0 BCAERO C[C@H]([NH3+])[C@H]1CN(c2ncns2)CCO1 ZINC000169202283 359775260 /nfs/dbraw/zinc/77/52/60/359775260.db2.gz UXCCZHLTIAHTGK-NKWVEPMBSA-N 1 0 214.294 0.091 10 0 BCAERO CC(C)[NH2+][C@H]1CCN(S(C)(=O)=O)C[C@@H]1C ZINC000309086046 491144278 /nfs/dbraw/zinc/14/42/78/491144278.db2.gz XTFQUDCHFDUQNX-UWVGGRQHSA-N 1 0 234.365 0.654 10 0 BCAERO [NH3+][C@@H]1C[C@H]1NC(=O)c1scnc1Cl ZINC000306407084 359795424 /nfs/dbraw/zinc/79/54/24/359795424.db2.gz XHJBGFJQXFHOCP-QWWZWVQMSA-N 1 0 217.681 0.626 10 0 BCAERO Cn1cc(Br)cc1CNC(N)=[NH2+] ZINC000306410356 359795468 /nfs/dbraw/zinc/79/54/68/359795468.db2.gz ZWZORDVRNHNWEM-UHFFFAOYSA-N 1 0 231.097 0.771 10 0 BCAERO CS(=O)(=O)C[C@@H]([NH3+])C1=CCCCC1 ZINC000069693806 359797464 /nfs/dbraw/zinc/79/74/64/359797464.db2.gz ATSOAHRBJQFPGO-SECBINFHSA-N 1 0 203.307 0.859 10 0 BCAERO O=[S@@]([C@H]1CC[NH2+]C1)C1CCOCC1 ZINC000306413268 359823475 /nfs/dbraw/zinc/82/34/75/359823475.db2.gz SGEGFEHYLWFSLC-TVQRCGJNSA-N 1 0 203.307 0.276 10 0 BCAERO C[N@@H+]1CCC[C@@H](NC(=O)n2ccnc2)C1 ZINC000040716075 359905062 /nfs/dbraw/zinc/90/50/62/359905062.db2.gz WWIFOWIKTVPJAU-SECBINFHSA-N 1 0 208.265 0.535 10 0 BCAERO COC(=O)c1ccc(N2CC[NH2+][C@@H](C)C2)nc1C ZINC000122804903 363698405 /nfs/dbraw/zinc/69/84/05/363698405.db2.gz CMKOCXMKZCZTHY-VIFPVBQESA-N 1 0 249.314 0.975 10 0 BCAERO O=C([C@H]1C[C@H](F)C[NH2+]1)N1CCC(CCO)CC1 ZINC000578638001 366615214 /nfs/dbraw/zinc/61/52/14/366615214.db2.gz JDJCDEFVIXOLRS-WDEREUQCSA-N 1 0 244.310 0.307 10 0 BCAERO Cc1ccc(C[NH2+][C@@H]2CCNC2=O)cc1 ZINC000309170903 491145803 /nfs/dbraw/zinc/14/58/03/491145803.db2.gz LHHMNDZQDAMAGT-LLVKDONJSA-N 1 0 204.273 0.973 10 0 BCAERO CCc1cc(N2CCO[C@H](C[NH3+])C2)nc(C)n1 ZINC000088759966 359976750 /nfs/dbraw/zinc/97/67/50/359976750.db2.gz WGWMTWDXKNEGLY-LLVKDONJSA-N 1 0 236.319 0.511 10 0 BCAERO C1COC2(CC[C@H]([NH2+][C@@H]3CCOC3)C2)O1 ZINC000306442906 360014909 /nfs/dbraw/zinc/01/49/09/360014909.db2.gz ZDQBVMOXSYUHHA-VHSXEESVSA-N 1 0 213.277 0.661 10 0 BCAERO C1COC2(CC[C@H]([NH2+][C@H]3CCOC3)C2)O1 ZINC000306442905 360014931 /nfs/dbraw/zinc/01/49/31/360014931.db2.gz ZDQBVMOXSYUHHA-UWVGGRQHSA-N 1 0 213.277 0.661 10 0 BCAERO C[C@@H]1CC[C@@H](C[NH3+])CN1S(C)(=O)=O ZINC000069728701 360052611 /nfs/dbraw/zinc/05/26/11/360052611.db2.gz XYKSUIFUZCFZQQ-SFYZADRCSA-N 1 0 206.311 0.005 10 0 BCAERO C[C@@H]1C[C@@H]1[C@@H]1NCCS(=O)(=O)[C@H]1C ZINC000306466471 360075000 /nfs/dbraw/zinc/07/50/00/360075000.db2.gz GBVXQDBVTIMGAN-RYPBNFRJSA-N 1 0 203.307 0.418 10 0 BCAERO C[C@@H]1C[C@@H]1[C@H]1NCCS(=O)(=O)[C@@H]1C ZINC000306466467 360075242 /nfs/dbraw/zinc/07/52/42/360075242.db2.gz GBVXQDBVTIMGAN-HXFLIBJXSA-N 1 0 203.307 0.418 10 0 BCAERO [NH3+][C@@H](CN1CCCS1(=O)=O)C1CCC1 ZINC000306475660 360108744 /nfs/dbraw/zinc/10/87/44/360108744.db2.gz XHPYYTJDJBUDNC-VIFPVBQESA-N 1 0 218.322 0.149 10 0 BCAERO COC(=O)c1cncc(NC[C@H]([NH3+])C(C)C)n1 ZINC000091418660 360114594 /nfs/dbraw/zinc/11/45/94/360114594.db2.gz JORDATXSUNSUNB-QMMMGPOBSA-N 1 0 238.291 0.658 10 0 BCAERO [NH3+][C@@H]1CC[C@H](N2CCC[S@@](=O)CC2)C1 ZINC000306490536 360202657 /nfs/dbraw/zinc/20/26/57/360202657.db2.gz VGIZHDBGWVSMDX-ISTVAULSSA-N 1 0 216.350 0.321 10 0 BCAERO OC[C@@H]1C[C@@H]1[NH2+]C1CCC2(CC1)OCCO2 ZINC000306493891 360216617 /nfs/dbraw/zinc/21/66/17/360216617.db2.gz SRZISJBGNRZNRU-ONGXEEELSA-N 1 0 227.304 0.643 10 0 BCAERO CON(C)C(=O)[C@@]1([NH3+])CCCC[C@@H]1C ZINC000306496700 360224146 /nfs/dbraw/zinc/22/41/46/360224146.db2.gz FBWXXBPGZYOMIF-WCBMZHEXSA-N 1 0 200.282 0.914 10 0 BCAERO CC(C)(C)OC(=O)N1CC[C@H]([NH3+])[C@](C)(CO)C1 ZINC000306499126 360257158 /nfs/dbraw/zinc/25/71/58/360257158.db2.gz VFLAAWSSFKEQED-CABZTGNLSA-N 1 0 244.335 0.953 10 0 BCAERO O=C(N1CC[C@@H]2C[NH2+]C[C@@H]2C1)C(F)(F)F ZINC000306499684 360250800 /nfs/dbraw/zinc/25/08/00/360250800.db2.gz WLMVBFSRENYOGX-RNFRBKRXSA-N 1 0 222.210 0.617 10 0 BCAERO COCCOCCN1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000094351197 360305340 /nfs/dbraw/zinc/30/53/40/360305340.db2.gz HWNSBZFGKUNSCD-QWHCGFSZSA-N 1 0 242.363 0.818 10 0 BCAERO CNC(=O)c1ccc(NC[C@@H]([NH3+])C(C)C)nn1 ZINC000095013358 360331526 /nfs/dbraw/zinc/33/15/26/360331526.db2.gz DXIIFSDDRQXWOO-MRVPVSSYSA-N 1 0 237.307 0.231 10 0 BCAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NCc1cnn(C)c1 ZINC000094647983 360313996 /nfs/dbraw/zinc/31/39/96/360313996.db2.gz CEHXRNLDICLWDA-ONGXEEELSA-N 1 0 236.319 0.424 10 0 BCAERO NC(=O)c1ccc(O[C@@H]2CCC[NH2+]C2)nc1 ZINC000051872807 181300915 /nfs/dbraw/zinc/30/09/15/181300915.db2.gz NGADUXDDBPLVCB-SECBINFHSA-N 1 0 221.260 0.311 10 0 BCAERO Cn1ncnc1C(=O)C[C@H]1CCC[NH2+]C1 ZINC000306531968 360391454 /nfs/dbraw/zinc/39/14/54/360391454.db2.gz BDWOVCMZYQOAOK-MRVPVSSYSA-N 1 0 208.265 0.388 10 0 BCAERO C[C@@H]1CN([C@@H]2CC[C@@H]([NH3+])C2)S(=O)(=O)C1 ZINC000306532656 360392225 /nfs/dbraw/zinc/39/22/25/360392225.db2.gz BYAAQEDPEBKORA-IWSPIJDZSA-N 1 0 218.322 0.148 10 0 BCAERO [NH3+]C1(C(=O)Nc2n[nH]cc2Br)CC1 ZINC000306532729 360392436 /nfs/dbraw/zinc/39/24/36/360392436.db2.gz MGNSSYBZCLKBRX-UHFFFAOYSA-N 1 0 245.080 0.602 10 0 BCAERO C[C@]1(N[S@](=O)C2CCCC2)CC[NH2+]C1 ZINC000306534228 360393174 /nfs/dbraw/zinc/39/31/74/360393174.db2.gz DMYGJPLOLHGULT-IINYFYTJSA-N 1 0 216.350 0.934 10 0 BCAERO C[C@@H]1C[NH2+]CCN1C(=O)CC(C)(F)F ZINC000306562536 360440809 /nfs/dbraw/zinc/44/08/09/360440809.db2.gz UGQCNPYAAYJXQA-SSDOTTSWSA-N 1 0 206.236 0.852 10 0 BCAERO NC(=O)c1ccc(OC[C@H]2CC[NH2+]C2)nc1 ZINC000051889038 181301129 /nfs/dbraw/zinc/30/11/29/181301129.db2.gz MLKXRCDQSZGULA-QMMMGPOBSA-N 1 0 221.260 0.169 10 0 BCAERO CN1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC(N)=S ZINC000306549313 360418952 /nfs/dbraw/zinc/41/89/52/360418952.db2.gz DMEUZPAPPOJCOH-BDAKNGLRSA-N 1 0 213.350 0.441 10 0 BCAERO C[NH2+][C@H](C)C(=O)N1CCSC[C@H]1C ZINC000069761792 360420797 /nfs/dbraw/zinc/42/07/97/360420797.db2.gz MFLMDHQPNOQDBY-HTQZYQBOSA-N 1 0 202.323 0.558 10 0 BCAERO C[NH2+][C@H](C)C(=O)N1CCSC[C@@H]1C ZINC000069761793 360420828 /nfs/dbraw/zinc/42/08/28/360420828.db2.gz MFLMDHQPNOQDBY-JGVFFNPUSA-N 1 0 202.323 0.558 10 0 BCAERO C[C@@H]([NH2+]C1CC1)C(=O)Nc1nnns1 ZINC000306552406 360425782 /nfs/dbraw/zinc/42/57/82/360425782.db2.gz GHARVWXTAZXYMA-SCSAIBSYSA-N 1 0 213.266 0.012 10 0 BCAERO C[C@@H]([NH3+])C(=O)Nc1cc(Br)n(C)n1 ZINC000306557831 360430659 /nfs/dbraw/zinc/43/06/59/360430659.db2.gz JNCILYSOYSDBSI-SCSAIBSYSA-N 1 0 247.096 0.468 10 0 BCAERO CO[C@@H]1COCC[C@@H]1[NH2+][C@H]1CCSC1 ZINC000306557452 360432201 /nfs/dbraw/zinc/43/22/01/360432201.db2.gz JBYNFOXXJUWNQS-LPEHRKFASA-N 1 0 217.334 0.885 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)c2cn(C)nn2)C[NH2+]1 ZINC000306590119 360493128 /nfs/dbraw/zinc/49/31/28/360493128.db2.gz XQFOMGBKTJAKTH-SFYZADRCSA-N 1 0 208.265 0.386 10 0 BCAERO C[C@@H]1C[C@@H](NC(=O)C2([NH3+])CCC2)CS1 ZINC000306590232 360493234 /nfs/dbraw/zinc/49/32/34/360493234.db2.gz UYUYEBPQQBIVRT-HTQZYQBOSA-N 1 0 214.334 0.878 10 0 BCAERO C[C@H]1CC[C@H]([NH3+])CN1S(=O)(=O)C(F)F ZINC000306579030 360465885 /nfs/dbraw/zinc/46/58/85/360465885.db2.gz MPLQVHYNDNZIHP-WDSKDSINSA-N 1 0 228.264 0.350 10 0 BCAERO C[C@H]1CSCCN(C(=O)CC[NH3+])C1 ZINC000306597743 360519886 /nfs/dbraw/zinc/51/98/86/360519886.db2.gz OUGWYZXSHWUBOQ-MRVPVSSYSA-N 1 0 202.323 0.547 10 0 BCAERO COc1ncc(C2(O)CC([NH3+])C2)s1 ZINC000306603121 360528775 /nfs/dbraw/zinc/52/87/75/360528775.db2.gz WTCDKKOJUBIRIA-UHFFFAOYSA-N 1 0 200.263 0.460 10 0 BCAERO C[C@H]1COCCN1C1(C[NH3+])CSC1 ZINC000306604944 360532348 /nfs/dbraw/zinc/53/23/48/360532348.db2.gz FNPUPCDWNGEIQU-QMMMGPOBSA-N 1 0 202.323 0.151 10 0 BCAERO C[C@@H]1CC[C@@H](C(=O)c2cn(C)cn2)C[NH2+]1 ZINC000306591270 360505183 /nfs/dbraw/zinc/50/51/83/360505183.db2.gz YKANAAPOEPCEAH-RKDXNWHRSA-N 1 0 207.277 0.991 10 0 BCAERO C[C@@H]([NH2+][C@H]1CC[NH2+]CC1(C)C)C(=O)[O-] ZINC000300801584 360514457 /nfs/dbraw/zinc/51/44/57/360514457.db2.gz FOURCQGQWZGPEV-SFYZADRCSA-N 1 0 200.282 0.437 10 0 BCAERO CC[N@@H+]1C[C@@H](C)[C@H](NCc2cn(C)nn2)C1 ZINC000309489828 491149665 /nfs/dbraw/zinc/14/96/65/491149665.db2.gz WTZOMFMYBXWPSK-MWLCHTKSSA-N 1 0 223.324 0.245 10 0 BCAERO NC(=O)c1cccc(C(=O)NC2CC([NH3+])C2)c1 ZINC000037650753 181302016 /nfs/dbraw/zinc/30/20/16/181302016.db2.gz KCFDGWNQQRBUAD-UHFFFAOYSA-N 1 0 233.271 0.005 10 0 BCAERO C[C@H](C(N)=S)[N@@H+]1CCC[C@H](O)CC1 ZINC000306610303 360616040 /nfs/dbraw/zinc/61/60/40/360616040.db2.gz FAWGLDVZXSXEBS-SFYZADRCSA-N 1 0 202.323 0.508 10 0 BCAERO NC(=O)c1cccc(N[C@@H]2CCC[NH2+]C2)c1 ZINC000043324615 181304580 /nfs/dbraw/zinc/30/45/80/181304580.db2.gz WTWPFMBVANHYGN-LLVKDONJSA-N 1 0 219.288 0.949 10 0 BCAERO NC(=O)c1cccnc1N[C@@H]1CCCC[C@@H]1[NH3+] ZINC000038050690 181307394 /nfs/dbraw/zinc/30/73/94/181307394.db2.gz ZKCKNRCWAXPHMS-VHSXEESVSA-N 1 0 234.303 0.862 10 0 BCAERO NC(=O)c1ccsc1NC(=O)[C@@H]1CC[NH2+]C1 ZINC000062116352 181308526 /nfs/dbraw/zinc/30/85/26/181308526.db2.gz BIRWGUUTSVRAPK-ZCFIWIBFSA-N 1 0 239.300 0.395 10 0 BCAERO NC(=O)c1ccnc(N[C@H]2CCCC[C@@H]2[NH3+])c1 ZINC000038050978 181307594 /nfs/dbraw/zinc/30/75/94/181307594.db2.gz KECSPPCXAYDKSL-UWVGGRQHSA-N 1 0 234.303 0.862 10 0 BCAERO Cc1c(C[NH2+][C@H]2C[C@@H](CO)C2)cnn1C ZINC000631198888 360759692 /nfs/dbraw/zinc/75/96/92/360759692.db2.gz VKGUMEJSUYRFOP-JGZJWPJOSA-N 1 0 209.293 0.589 10 0 BCAERO NC(=O)c1ccsc1NC(=O)[C@@H]1CCC[NH2+]1 ZINC000040859309 181308257 /nfs/dbraw/zinc/30/82/57/181308257.db2.gz PVUZASIUORJGDV-ZETCQYMHSA-N 1 0 239.300 0.538 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N1CCC[C@@H](OC)C1 ZINC000154283552 360792284 /nfs/dbraw/zinc/79/22/84/360792284.db2.gz VDFCFIFGECEEEB-ZJUUUORDSA-N 1 0 214.309 0.751 10 0 BCAERO C[C@H](NCC(F)(F)CO)[C@@H]1CCC[NH2+]C1 ZINC000578979268 366683816 /nfs/dbraw/zinc/68/38/16/366683816.db2.gz XVJAHOAQHDKJHW-DTWKUNHWSA-N 1 0 222.279 0.592 10 0 BCAERO NC(=O)c1nccnc1N[C@H]1CCCC[C@H]1[NH3+] ZINC000054399063 181314202 /nfs/dbraw/zinc/31/42/02/181314202.db2.gz PWGNAYMUENXAEO-SFYZADRCSA-N 1 0 235.291 0.257 10 0 BCAERO CCN(C(=O)[C@@H]1CCOC1)[C@@H]1CC[NH2+]C1 ZINC000040941617 360914159 /nfs/dbraw/zinc/91/41/59/360914159.db2.gz XPOSYOWRCANTKY-NXEZZACHSA-N 1 0 212.293 0.233 10 0 BCAERO NC(=S)C[NH+]1CCC2(CC1)OCCO2 ZINC000031945346 181316612 /nfs/dbraw/zinc/31/66/12/181316612.db2.gz ILAAWEMJVQXAPJ-UHFFFAOYSA-N 1 0 216.306 0.111 10 0 BCAERO Cc1cccc(NC(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)c1 ZINC000414666274 200757387 /nfs/dbraw/zinc/75/73/87/200757387.db2.gz GCUKLDSIZQVBDW-JQWIXIFHSA-N 1 0 249.314 0.697 10 0 BCAERO COc1ccc([C@@]2(CO)CC[NH2+]C2)cc1 ZINC000238369504 360950416 /nfs/dbraw/zinc/95/04/16/360950416.db2.gz UMGKBZFZWHDGPD-LBPRGKRZSA-N 1 0 207.273 0.919 10 0 BCAERO COCCC[NH2+][C@@H]1CCN(C(C)=O)C[C@@H]1C ZINC000309623827 491153038 /nfs/dbraw/zinc/15/30/38/491153038.db2.gz FWYZFSXKPWSEFZ-CMPLNLGQSA-N 1 0 228.336 0.869 10 0 BCAERO CC[C@@H](O)C[NH2+][C@@H]1CCN(C(C)=O)C[C@H]1C ZINC000309672531 491153590 /nfs/dbraw/zinc/15/35/90/491153590.db2.gz WPDIOUIHXBFZMD-YUSALJHKSA-N 1 0 228.336 0.604 10 0 BCAERO [NH3+]C1(C(=O)N2CCC[C@@H]2CO)CCCC1 ZINC000042434880 181324082 /nfs/dbraw/zinc/32/40/82/181324082.db2.gz AUDVCORHXAOKMR-SECBINFHSA-N 1 0 212.293 0.241 10 0 BCAERO [NH3+]C1(C(=O)N2CCC[C@H](CO)C2)CCCC1 ZINC000037479541 181323682 /nfs/dbraw/zinc/32/36/82/181323682.db2.gz WMMIYVCBZJDVHD-JTQLQIEISA-N 1 0 226.320 0.489 10 0 BCAERO CC[S@](=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000306614641 361143441 /nfs/dbraw/zinc/14/34/41/361143441.db2.gz APVCRUDEVBWOOE-RWEMILLDSA-N 1 0 202.323 0.354 10 0 BCAERO CC(C)C[N@@H+]1CC[C@H](CO)[C@H](N(C)C)C1 ZINC000169791856 361124705 /nfs/dbraw/zinc/12/47/05/361124705.db2.gz MMAOFCWDTVDBCY-VXGBXAGGSA-N 1 0 214.353 0.887 10 0 BCAERO [NH3+][C@@H](CO)Cc1coc(Br)c1 ZINC000306625009 361285076 /nfs/dbraw/zinc/28/50/76/361285076.db2.gz GLDFFMOLYQZHJY-ZCFIWIBFSA-N 1 0 220.066 0.904 10 0 BCAERO [NH3+]C1(C(=O)NCc2cn[nH]c2)CCCC1 ZINC000038006536 181327559 /nfs/dbraw/zinc/32/75/59/181327559.db2.gz LVNHPXKXNWMLJA-UHFFFAOYSA-N 1 0 208.265 0.297 10 0 BCAERO [NH3+]C1(C(=O)N[C@@H]2CCC[C@H](O)C2)CCCC1 ZINC000037479549 181327029 /nfs/dbraw/zinc/32/70/29/181327029.db2.gz LOCCRHIZTOPCSZ-ZJUUUORDSA-N 1 0 226.320 0.678 10 0 BCAERO [NH3+][C@@H]1CCCN(C(=O)[C@H]2CCSC2)C1 ZINC000069986573 361322444 /nfs/dbraw/zinc/32/24/44/361322444.db2.gz NJTHMENPYCMEHY-DTWKUNHWSA-N 1 0 214.334 0.689 10 0 BCAERO [NH3+]C1CC(NC(=O)[C@H]2CCSC2)C1 ZINC000069986440 361322519 /nfs/dbraw/zinc/32/25/19/361322519.db2.gz CWWHOWFSNQQFLL-KKMMWDRVSA-N 1 0 200.307 0.345 10 0 BCAERO [NH3+]C1(C(=O)Nc2cccc(O)c2)CCOCC1 ZINC000127857131 181329450 /nfs/dbraw/zinc/32/94/50/181329450.db2.gz VRVWCGLCLWPWJR-UHFFFAOYSA-N 1 0 236.271 0.839 10 0 BCAERO [NH3+]C[C@H]1CC(=O)N(Cc2nccs2)C1 ZINC000070053053 361388663 /nfs/dbraw/zinc/38/86/63/361388663.db2.gz NAVWHNHXBXWRID-SSDOTTSWSA-N 1 0 211.290 0.450 10 0 BCAERO [NH3+][C@H]1CCCN(Cc2cscn2)C1=O ZINC000070061476 361389981 /nfs/dbraw/zinc/38/99/81/361389981.db2.gz QRBBMXKDRFZVQN-QMMMGPOBSA-N 1 0 211.290 0.593 10 0 BCAERO C[C@H]1CN(CCOC2CCOCC2)C[C@H]1[NH3+] ZINC000629535231 361410138 /nfs/dbraw/zinc/41/01/38/361410138.db2.gz FMNBCQJANWBFKC-CMPLNLGQSA-N 1 0 228.336 0.461 10 0 BCAERO C[C@](O)(C[NH2+][C@H]1CCOC[C@@H]1O)C(F)(F)F ZINC000629608377 361495709 /nfs/dbraw/zinc/49/57/09/361495709.db2.gz GUESHURBDIXYIO-FXQIFTODSA-N 1 0 243.225 0.039 10 0 BCAERO CCOCC[NH2+]Cc1cnc2ccnn2c1 ZINC000381463489 361467863 /nfs/dbraw/zinc/46/78/63/361467863.db2.gz LVPXUZUZCYNUHG-UHFFFAOYSA-N 1 0 220.276 0.855 10 0 BCAERO CCc1nnc(CN2CC[NH2+]C[C@H]2C)n1C ZINC000379748690 361477831 /nfs/dbraw/zinc/47/78/31/361477831.db2.gz ATNOMUSQGMWAQC-SECBINFHSA-N 1 0 223.324 0.171 10 0 BCAERO CCc1nnc(C[NH2+][C@H]2CCOC[C@H]2C)n1C ZINC000433171551 201164497 /nfs/dbraw/zinc/16/44/97/201164497.db2.gz DWSXCUCVYFEWKT-ZJUUUORDSA-N 1 0 238.335 0.892 10 0 BCAERO CC(C)n1nnnc1C[NH2+][C@H]1CCOC[C@@H]1C ZINC000433184199 201165102 /nfs/dbraw/zinc/16/51/02/201165102.db2.gz XQTALKMDTPZLFA-UWVGGRQHSA-N 1 0 239.323 0.769 10 0 BCAERO O[C@H](C[NH2+][C@@H]1CCOC[C@@H]1O)CC(F)(F)F ZINC000629608684 361495458 /nfs/dbraw/zinc/49/54/58/361495458.db2.gz LFLHZFXJOPDTTQ-RNJXMRFFSA-N 1 0 243.225 0.039 10 0 BCAERO CC(C)(C)[C@H](O)C[NH2+][C@@H]1CCOC[C@@H]1O ZINC000629609014 361496804 /nfs/dbraw/zinc/49/68/04/361496804.db2.gz SMWLGIWMALKYKJ-KXUCPTDWSA-N 1 0 217.309 0.133 10 0 BCAERO CC(C)(C)[C@H](O)C[NH2+][C@H]1CCOC[C@@H]1O ZINC000629609015 361497119 /nfs/dbraw/zinc/49/71/19/361497119.db2.gz SMWLGIWMALKYKJ-LPEHRKFASA-N 1 0 217.309 0.133 10 0 BCAERO [NH2+]=C1NC[C@]2(CCc3ccccc3C2)N1 ZINC000013743773 181338958 /nfs/dbraw/zinc/33/89/58/181338958.db2.gz FJCGGAPXIYTABL-GFCCVEGCSA-N 1 0 201.273 0.832 10 0 BCAERO [NH3+]C1CC(NC(=O)Cc2ccc(O)cc2)C1 ZINC000036237027 181340320 /nfs/dbraw/zinc/34/03/20/181340320.db2.gz SJELCFVCBMIORL-UHFFFAOYSA-N 1 0 220.272 0.541 10 0 BCAERO C[C@@H]1COCC[C@@H]1[NH2+]C[C@H]1CN(C)CCO1 ZINC000249240537 325641202 /nfs/dbraw/zinc/64/12/02/325641202.db2.gz CSXKIVLKHKCLIJ-WOPDTQHZSA-N 1 0 228.336 0.332 10 0 BCAERO [NH3+]C1CCC(C(=O)NCC[NH+]2CCCC2)CC1 ZINC000037626216 181340752 /nfs/dbraw/zinc/34/07/52/181340752.db2.gz QSHCAHYINJODBV-UHFFFAOYSA-N 1 0 239.363 0.716 10 0 BCAERO CC[C@](C)(O)C[NH2+][C@H]1CCCC[C@H]1C(N)=O ZINC000249285512 325643297 /nfs/dbraw/zinc/64/32/97/325643297.db2.gz PHFXSISILIIXPF-SCVCMEIPSA-N 1 0 228.336 0.781 10 0 BCAERO Cc1nnc2c(N[C@@H]3CC[NH2+]C3)nccn12 ZINC000070616641 361633948 /nfs/dbraw/zinc/63/39/48/361633948.db2.gz DILBKIHLQDQRKW-MRVPVSSYSA-N 1 0 218.264 0.207 10 0 BCAERO [NH3+]C1CC(NC(=O)CCc2ccco2)C1 ZINC000036237139 181340654 /nfs/dbraw/zinc/34/06/54/181340654.db2.gz QDZJRZFGBNVCRN-UHFFFAOYSA-N 1 0 208.261 0.818 10 0 BCAERO [NH3+]C1CCC([N@@H+]2CCNC(=O)CC2)CC1 ZINC000062100685 181341164 /nfs/dbraw/zinc/34/11/64/181341164.db2.gz COQIVFVHEBYBLN-UHFFFAOYSA-N 1 0 211.309 0.078 10 0 BCAERO [NH3+]C1CCN(C(=O)c2ccc(=O)oc2)CC1 ZINC000036753475 181343755 /nfs/dbraw/zinc/34/37/55/181343755.db2.gz YQGJKMQUWOXFJY-UHFFFAOYSA-N 1 0 222.244 0.203 10 0 BCAERO NC(=S)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000070662124 361703433 /nfs/dbraw/zinc/70/34/33/361703433.db2.gz OFSNMIKVPXYQRQ-SECBINFHSA-N 1 0 214.334 0.916 10 0 BCAERO O=C(Nc1cncnc1)[C@H]1CCC[NH2+]C1 ZINC000082248133 361693867 /nfs/dbraw/zinc/69/38/67/361693867.db2.gz ZQKHMTQARYHYCV-QMMMGPOBSA-N 1 0 206.249 0.415 10 0 BCAERO O=S1CCC([NH2+]Cc2ncc[nH]2)CC1 ZINC000070646310 361694572 /nfs/dbraw/zinc/69/45/72/361694572.db2.gz CQFPFZUESMCTAX-UHFFFAOYSA-N 1 0 213.306 0.410 10 0 BCAERO Cc1nn(C[C@@H]2C[NH2+]CCO2)cc1Cl ZINC000070649681 361694612 /nfs/dbraw/zinc/69/46/12/361694612.db2.gz OXEYFLCJEWURGM-QMMMGPOBSA-N 1 0 215.684 0.833 10 0 BCAERO Clc1cnn(C[C@@H]2C[NH2+]CCO2)c1 ZINC000070649625 361694872 /nfs/dbraw/zinc/69/48/72/361694872.db2.gz GFKZVESGIDIKIK-QMMMGPOBSA-N 1 0 201.657 0.525 10 0 BCAERO C[C@H](O)[C@H]([NH3+])CNc1ccc(Cl)nn1 ZINC000070648193 361696024 /nfs/dbraw/zinc/69/60/24/361696024.db2.gz ZLJGBUKVWPNLAQ-NTSWFWBYSA-N 1 0 216.672 0.250 10 0 BCAERO [NH3+]C1CCN(C(=O)CSc2ncc[nH]2)CC1 ZINC000058827388 181344022 /nfs/dbraw/zinc/34/40/22/181344022.db2.gz PSRIWDDKBLWBTM-UHFFFAOYSA-N 1 0 240.332 0.452 10 0 BCAERO CCS(=O)(=O)N1CCCC[C@@H]1C(N)=[NH2+] ZINC000070663176 361707979 /nfs/dbraw/zinc/70/79/79/361707979.db2.gz SOPJMURLDHRSJT-SSDOTTSWSA-N 1 0 219.310 0.127 10 0 BCAERO C[C@@H]1COC[C@@H](CC(=O)[C@@H]2CCCO2)[NH2+]1 ZINC000307068715 541314840 /nfs/dbraw/zinc/31/48/40/541314840.db2.gz XKEFKJKEZLEENZ-KKZNHRDASA-N 1 0 213.277 0.502 10 0 BCAERO [NH3+]CC(=O)N[C@@H]1CCC[C@H]1n1ccnc1 ZINC000037045734 181353356 /nfs/dbraw/zinc/35/33/56/181353356.db2.gz NNMXROBRNRSDPE-RKDXNWHRSA-N 1 0 208.265 0.052 10 0 BCAERO CO[C@H]1CN(Cc2cncn2C)[C@@](C)(C[NH3+])C1 ZINC000630359188 364076196 /nfs/dbraw/zinc/07/61/96/364076196.db2.gz BZFVYSSBTGKBRB-VXGBXAGGSA-N 1 0 238.335 0.358 10 0 BCAERO CO[C@H]1CN(Cc2cc(C)on2)[C@@](C)(C[NH3+])C1 ZINC000630358801 364079003 /nfs/dbraw/zinc/07/90/03/364079003.db2.gz BUHGYDOPXQWRGT-VXGBXAGGSA-N 1 0 239.319 0.921 10 0 BCAERO CO[C@@H]1CN(Cc2nc(C)no2)[C@@](C)(C[NH3+])C1 ZINC000630359896 364080733 /nfs/dbraw/zinc/08/07/33/364080733.db2.gz FTSYRTGFXYBOAN-GXSJLCMTSA-N 1 0 240.307 0.316 10 0 BCAERO CO[C@@H]1CN(Cc2cnn(C)c2)[C@](C)(C[NH3+])C1 ZINC000630363972 364080832 /nfs/dbraw/zinc/08/08/32/364080832.db2.gz NXMDBGGMRAIATE-RYUDHWBXSA-N 1 0 238.335 0.358 10 0 BCAERO CO[C@H]1CN(Cc2cnn(C)c2)[C@](C)(C[NH3+])C1 ZINC000630363965 364080915 /nfs/dbraw/zinc/08/09/15/364080915.db2.gz NXMDBGGMRAIATE-NEPJUHHUSA-N 1 0 238.335 0.358 10 0 BCAERO C[C@@H]([NH3+])[C@@H](C)n1cc(S(C)(=O)=O)cn1 ZINC000725251757 541330978 /nfs/dbraw/zinc/33/09/78/541330978.db2.gz GMKKTWYTYIQXME-RNFRBKRXSA-N 1 0 217.294 0.195 10 0 BCAERO CCCOCC(=O)N1C[C@@H](OC)C[C@]1(C)C[NH3+] ZINC000630367500 364085019 /nfs/dbraw/zinc/08/50/19/364085019.db2.gz CYXPQKRAUJGEEW-CMPLNLGQSA-N 1 0 244.335 0.378 10 0 BCAERO CO[C@H]1CN(CCOCC2CC2)[C@](C)(C[NH3+])C1 ZINC000630364674 364083036 /nfs/dbraw/zinc/08/30/36/364083036.db2.gz QCTKOUTZWVDGIA-OLZOCXBDSA-N 1 0 242.363 0.851 10 0 BCAERO CO[C@H]1CN(C(=O)c2ccco2)[C@@](C)(C[NH3+])C1 ZINC000630364818 364083573 /nfs/dbraw/zinc/08/35/73/364083573.db2.gz WEEWFWRLYRHGGY-BXKDBHETSA-N 1 0 238.287 0.858 10 0 BCAERO CO[C@@H]1CN(CCOCC2CC2)[C@](C)(C[NH3+])C1 ZINC000630364676 364083634 /nfs/dbraw/zinc/08/36/34/364083634.db2.gz QCTKOUTZWVDGIA-STQMWFEESA-N 1 0 242.363 0.851 10 0 BCAERO CO[C@H]1CN(Cc2coc(C)n2)[C@](C)(C[NH3+])C1 ZINC000630366774 364086526 /nfs/dbraw/zinc/08/65/26/364086526.db2.gz LPMMTIGMJIFQFF-NEPJUHHUSA-N 1 0 239.319 0.921 10 0 BCAERO CO[C@H]1CN(C(=O)NC(C)C)[C@](C)(C[NH3+])C1 ZINC000630366452 364086663 /nfs/dbraw/zinc/08/66/63/364086663.db2.gz KPSPMJRRQSIKQS-KOLCDFICSA-N 1 0 229.324 0.543 10 0 BCAERO CO[C@H]1CN(C(=O)c2ccoc2)[C@](C)(C[NH3+])C1 ZINC000630369328 364086803 /nfs/dbraw/zinc/08/68/03/364086803.db2.gz WNIXLFAZVRJKBH-PWSUYJOCSA-N 1 0 238.287 0.858 10 0 BCAERO CO[C@@H]1CN(C(=O)N(C)C)[C@](C)(C[NH3+])C1 ZINC000630369396 364088056 /nfs/dbraw/zinc/08/80/56/364088056.db2.gz WXKIXDPJIGPKLK-WPRPVWTQSA-N 1 0 215.297 0.106 10 0 BCAERO CO[C@@H]1CN(C(=O)c2cccnc2)[C@@](C)(C[NH3+])C1 ZINC000630374634 364089447 /nfs/dbraw/zinc/08/94/47/364089447.db2.gz ZRCBBANCZAFMRF-WCQYABFASA-N 1 0 249.314 0.660 10 0 BCAERO CO[C@H]1CN(C(=O)COC(C)C)[C@](C)(C[NH3+])C1 ZINC000630373361 364089495 /nfs/dbraw/zinc/08/94/95/364089495.db2.gz ZNXTWRUTWZONDB-PWSUYJOCSA-N 1 0 244.335 0.376 10 0 BCAERO CO[C@@H]1CN(C(=O)[C@H]2CC23CC3)[C@](C)(C[NH3+])C1 ZINC000630376904 364091050 /nfs/dbraw/zinc/09/10/50/364091050.db2.gz HDQSIKQTUDAKEZ-UMNHJUIQSA-N 1 0 238.331 0.751 10 0 BCAERO [NH3+]CC(=O)Nc1ccc2c(c1)CCC(=O)N2 ZINC000037002707 181355810 /nfs/dbraw/zinc/35/58/10/181355810.db2.gz IYWJUIJDCDMSBF-UHFFFAOYSA-N 1 0 219.244 0.469 10 0 BCAERO COc1ccnc(N2C[C@@H](C)[C@@H](C[NH3+])C2)n1 ZINC000630387442 364101806 /nfs/dbraw/zinc/10/18/06/364101806.db2.gz PHTAYPPRQMEUDC-BDAKNGLRSA-N 1 0 222.292 0.516 10 0 BCAERO COC[C@@H]1C[NH2+]CCN1C(=O)C1(C)CC1 ZINC000725273035 541340341 /nfs/dbraw/zinc/34/03/41/541340341.db2.gz POZVYWSQEPMZGU-VIFPVBQESA-N 1 0 212.293 0.233 10 0 BCAERO CC(C)C[NH2+]C[C@@H](O)[C@@H]1COC(C)(C)O1 ZINC000725269776 541339277 /nfs/dbraw/zinc/33/92/77/541339277.db2.gz YTAOAEAUMYZBFF-ZJUUUORDSA-N 1 0 217.309 0.744 10 0 BCAERO NC(=O)C1(C[NH3+])CC(c2ccccc2)C1 ZINC000725273555 541341256 /nfs/dbraw/zinc/34/12/56/541341256.db2.gz KRUGUOLJVWJOJM-UHFFFAOYSA-N 1 0 204.273 0.994 10 0 BCAERO C[NH2+]CCOCCN(C)c1ncc(C)c(C)n1 ZINC000630528716 364216174 /nfs/dbraw/zinc/21/61/74/364216174.db2.gz LYJONFGGEMHRHV-UHFFFAOYSA-N 1 0 238.335 0.766 10 0 BCAERO [NH3+]CC1(CN2CCS(=O)CC2)CCCCC1 ZINC000051252232 181358644 /nfs/dbraw/zinc/35/86/44/181358644.db2.gz YBGPXCSPLORWPB-UHFFFAOYSA-N 1 0 244.404 0.960 10 0 BCAERO C[C@H]1CC[C@H](Nc2ncnc3c2cnn3C)C[NH2+]1 ZINC000630532973 364223612 /nfs/dbraw/zinc/22/36/12/364223612.db2.gz MBBALQNMKUWVBQ-IUCAKERBSA-N 1 0 246.318 0.916 10 0 BCAERO [NH3+]CC1(C(=O)N2CC[C@H](O)C2)CCCCC1 ZINC000061710995 181359049 /nfs/dbraw/zinc/35/90/49/181359049.db2.gz RMJMIZNGBXQXFK-JTQLQIEISA-N 1 0 226.320 0.489 10 0 BCAERO Cn1ccnc(N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)c1=O ZINC000630538475 364232962 /nfs/dbraw/zinc/23/29/62/364232962.db2.gz MRNNLMUTJGPYRS-BETUJISGSA-N 1 0 248.330 0.216 10 0 BCAERO [NH3+][C@@H]1CCCCCN(c2nccn3cnnc23)C1 ZINC000630549341 364242476 /nfs/dbraw/zinc/24/24/76/364242476.db2.gz MUWHHFOPMOBIBZ-SNVBAGLBSA-N 1 0 246.318 0.832 10 0 BCAERO Cn1ccnc(N2CCCCC[C@@H]([NH3+])C2)c1=O ZINC000630550844 364244030 /nfs/dbraw/zinc/24/40/30/364244030.db2.gz VPDIDFMLXBEELJ-SNVBAGLBSA-N 1 0 236.319 0.488 10 0 BCAERO CCn1ccnc(N2C[C@H](C)[C@@H](C[NH3+])C2)c1=O ZINC000630552751 364246797 /nfs/dbraw/zinc/24/67/97/364246797.db2.gz HFVCNICAOUNIBZ-UWVGGRQHSA-N 1 0 236.319 0.294 10 0 BCAERO Cc1nccnc1N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000630553101 364247724 /nfs/dbraw/zinc/24/77/24/364247724.db2.gz IEQIJWSDRPSROE-PSASIEDQSA-N 1 0 206.293 0.816 10 0 BCAERO CCn1ccnc(N2C[C@@H](C)[C@@H](C[NH3+])C2)c1=O ZINC000630552756 364247911 /nfs/dbraw/zinc/24/79/11/364247911.db2.gz HFVCNICAOUNIBZ-ZJUUUORDSA-N 1 0 236.319 0.294 10 0 BCAERO C[C@@H]1C[C@@H]([NH3+])CN1c1cnn(C)c(=O)c1Cl ZINC000630556735 364256830 /nfs/dbraw/zinc/25/68/30/364256830.db2.gz CGNXNWYASQZIDP-RNFRBKRXSA-N 1 0 242.710 0.360 10 0 BCAERO Cc1noc2ncnc(N3C[C@H]([NH3+])C[C@@H]3C)c12 ZINC000630556777 364257422 /nfs/dbraw/zinc/25/74/22/364257422.db2.gz CZHPHPKQLZBDKJ-POYBYMJQSA-N 1 0 233.275 0.852 10 0 BCAERO C[C@H]1C[C@@H]([NH3+])CN1c1cnn(C)c(=O)c1Cl ZINC000630556734 364257556 /nfs/dbraw/zinc/25/75/56/364257556.db2.gz CGNXNWYASQZIDP-NKWVEPMBSA-N 1 0 242.710 0.360 10 0 BCAERO CCOc1cc(N2C[C@H](C)[C@@H](C[NH3+])C2)ncn1 ZINC000630573530 364269080 /nfs/dbraw/zinc/26/90/80/364269080.db2.gz UQLGTOBRGOGPAX-UWVGGRQHSA-N 1 0 236.319 0.906 10 0 BCAERO [NH3+]CCCOCCNc1ccc2nccnc2n1 ZINC000630533339 364224419 /nfs/dbraw/zinc/22/44/19/364224419.db2.gz CCQFXYAUVCDIEM-UHFFFAOYSA-N 1 0 247.302 0.176 10 0 BCAERO [NH3+]CCCOCCNc1ccncc1Cl ZINC000630535567 364228223 /nfs/dbraw/zinc/22/82/23/364228223.db2.gz WIRAFPQHTHAAGM-UHFFFAOYSA-N 1 0 229.711 0.934 10 0 BCAERO CCOc1cc(NCCOCCC[NH3+])ncn1 ZINC000630535272 364229512 /nfs/dbraw/zinc/22/95/12/364229512.db2.gz SPSOIIXIVGXDAB-UHFFFAOYSA-N 1 0 240.307 0.653 10 0 BCAERO CC(C)CNC(=O)C[NH2+][C@H]1CCO[C@H]1C ZINC000134547829 364406417 /nfs/dbraw/zinc/40/64/17/364406417.db2.gz BBWJQWMKBQKWGF-UWVGGRQHSA-N 1 0 214.309 0.526 10 0 BCAERO CC(C)CNC(=O)C[NH2+][C@@H]1CCO[C@H]1C ZINC000134547788 364406745 /nfs/dbraw/zinc/40/67/45/364406745.db2.gz BBWJQWMKBQKWGF-VHSXEESVSA-N 1 0 214.309 0.526 10 0 BCAERO COCCCCNC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170829996 364380743 /nfs/dbraw/zinc/38/07/43/364380743.db2.gz DMCWACZTEPTVHH-NSHDSACASA-N 1 0 243.351 0.759 10 0 BCAERO COC(=O)[C@H]1CCCN(C(=O)[C@H]2CC[NH2+]C2)C1 ZINC000579488028 366829451 /nfs/dbraw/zinc/82/94/51/366829451.db2.gz YHFJZDXFFDSHSU-UWVGGRQHSA-N 1 0 240.303 0.008 10 0 BCAERO [NH3+]CC1CCN(CC(=O)c2ccccn2)CC1 ZINC000095072683 181365719 /nfs/dbraw/zinc/36/57/19/181365719.db2.gz ZIJNINWGQIAMBX-UHFFFAOYSA-N 1 0 233.315 0.935 10 0 BCAERO COCCCCC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170864224 364545070 /nfs/dbraw/zinc/54/50/70/364545070.db2.gz PUPAYTFAPFHHFX-LLVKDONJSA-N 1 0 228.336 0.966 10 0 BCAERO CS[C@@H](C)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170866415 364545511 /nfs/dbraw/zinc/54/55/11/364545511.db2.gz QVCAQEOUVODUPH-DTWKUNHWSA-N 1 0 216.350 0.900 10 0 BCAERO [NH3+]CCC(=O)NCc1ccccc1-n1cccn1 ZINC000040495742 181367764 /nfs/dbraw/zinc/36/77/64/181367764.db2.gz UYFVQTLKGODJIQ-UHFFFAOYSA-N 1 0 244.298 0.837 10 0 BCAERO CCOC(=O)CN1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000246783201 364609633 /nfs/dbraw/zinc/60/96/33/364609633.db2.gz BGKLPLRCWSNQOC-GHMZBOCLSA-N 1 0 226.320 0.718 10 0 BCAERO C[C@H](C[NH3+])Nc1nnnn1-c1ccccc1 ZINC000082576429 364570560 /nfs/dbraw/zinc/57/05/60/364570560.db2.gz GEIWRZBXZDWTBR-MRVPVSSYSA-N 1 0 218.264 0.421 10 0 BCAERO [NH3+]C1(CC(=O)NC[C@@H]2CCCC[C@H]2O)CCC1 ZINC000094295598 487527841 /nfs/dbraw/zinc/52/78/41/487527841.db2.gz RLHQZVIOIOVYSF-WDEREUQCSA-N 1 0 240.347 0.925 10 0 BCAERO NC(=O)c1cc(NC(=O)CC[NH3+])ccc1F ZINC000037026621 181368485 /nfs/dbraw/zinc/36/84/85/181368485.db2.gz BEEOIFLGLKGAGJ-UHFFFAOYSA-N 1 0 225.223 0.212 10 0 BCAERO NC(=O)Nc1ccc(NC(=O)CC[NH3+])cc1 ZINC000037041253 181369277 /nfs/dbraw/zinc/36/92/77/181369277.db2.gz ARPXAVMKUQXKDY-UHFFFAOYSA-N 1 0 222.248 0.465 10 0 BCAERO [NH3+]CCC(=O)c1cccc2c1OCCO2 ZINC000082933672 181369644 /nfs/dbraw/zinc/36/96/44/181369644.db2.gz QLCHQIAYPRITDB-UHFFFAOYSA-N 1 0 207.229 0.989 10 0 BCAERO [NH3+]CCC(=O)OCCc1ccc2c(c1)OCO2 ZINC000077373717 181370199 /nfs/dbraw/zinc/37/01/99/181370199.db2.gz SQAXTURLFWTMHW-UHFFFAOYSA-N 1 0 237.255 0.850 10 0 BCAERO C[C@@H](NC(=O)[C@H]1CCCO1)[C@@H]1CCC[NH2+]C1 ZINC000166381015 364787352 /nfs/dbraw/zinc/78/73/52/364787352.db2.gz QSJIJVVPIPHYTP-GMTAPVOTSA-N 1 0 226.320 0.670 10 0 BCAERO CCC1(O)CCN(C(=O)[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000573737626 364906287 /nfs/dbraw/zinc/90/62/87/364906287.db2.gz YEDWCECGMZSGLG-MNOVXSKESA-N 1 0 240.347 0.877 10 0 BCAERO [NH3+]CCCCCC(=O)N1CCC(O)CC1 ZINC000019436373 181373828 /nfs/dbraw/zinc/37/38/28/181373828.db2.gz GSFHTYCUIJCOQR-UHFFFAOYSA-N 1 0 214.309 0.489 10 0 BCAERO C[C@@H]1COC[C@@H](C2C(=O)CCCC2=O)[NH2+]1 ZINC000230796244 541414888 /nfs/dbraw/zinc/41/48/88/541414888.db2.gz PNEUSCRZCTXTFY-SFYZADRCSA-N 1 0 211.261 0.302 10 0 BCAERO [NH3+]CCCCNC(=O)[C@@H]1CSCCS1 ZINC000181086183 181376736 /nfs/dbraw/zinc/37/67/36/181376736.db2.gz JDTKBLQHEYKBEX-QMMMGPOBSA-N 1 0 234.390 0.690 10 0 BCAERO [NH3+]CCCCS(=O)(=O)N1CCCC1 ZINC000020180118 181378326 /nfs/dbraw/zinc/37/83/26/181378326.db2.gz MBDCMQUTHCMQPM-UHFFFAOYSA-N 1 0 206.311 0.151 10 0 BCAERO [NH3+]CCCCn1c(=O)oc2cccnc21 ZINC000036243888 181379233 /nfs/dbraw/zinc/37/92/33/181379233.db2.gz NECLOTGPUGAHRB-UHFFFAOYSA-N 1 0 207.233 0.728 10 0 BCAERO CC1(C(=O)N2CCC[C@]([NH3+])(CO)C2)CC1 ZINC000669385143 541438457 /nfs/dbraw/zinc/43/84/57/541438457.db2.gz ZXUNJBSXYKVLJS-LLVKDONJSA-N 1 0 212.293 0.099 10 0 BCAERO CCC[C@@H](C)C(=O)N1CCC[C@]([NH3+])(CO)C1 ZINC000669384872 541438594 /nfs/dbraw/zinc/43/85/94/541438594.db2.gz KPDRJYYICXFPPG-ZYHUDNBSSA-N 1 0 228.336 0.735 10 0 BCAERO [NH3+]CCCN1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000105026884 181379565 /nfs/dbraw/zinc/37/95/65/181379565.db2.gz QYDHZHOXDAXTTH-IUCAKERBSA-N 1 0 210.277 0.510 10 0 BCAERO NNc1[nH+]cnc2c1cnn2CC(F)(F)F ZINC000669377117 541436578 /nfs/dbraw/zinc/43/65/78/541436578.db2.gz GWUFKRHLKINUTR-UHFFFAOYSA-N 1 0 232.169 0.674 10 0 BCAERO CCO[C@@H]1CC[C@@H]2[NH2+]CCN(C(C)C)[C@H]2N1 ZINC000669380633 541436993 /nfs/dbraw/zinc/43/69/93/541436993.db2.gz SWOPHNIPUCXXJQ-QJPTWQEYSA-N 1 0 227.352 0.741 10 0 BCAERO [NH3+]CCCN1C(=O)C[C@@H](c2ccccc2)C1=O ZINC000103512598 181380028 /nfs/dbraw/zinc/38/00/28/181380028.db2.gz SOZOWPYMYSCITB-NSHDSACASA-N 1 0 232.283 0.878 10 0 BCAERO [NH3+]CCCCn1nc2n(c1=O)CCCC2 ZINC000061817392 181380072 /nfs/dbraw/zinc/38/00/72/181380072.db2.gz JJSPMQPBOXPUKZ-UHFFFAOYSA-N 1 0 210.281 0.120 10 0 BCAERO CC1CC(C(=O)N2CC[C@@H]3OCC[NH2+][C@H]3C2)C1 ZINC000574159267 364998157 /nfs/dbraw/zinc/99/81/57/364998157.db2.gz AEUHQCAVQZWVEA-QQFIATSDSA-N 1 0 238.331 0.622 10 0 BCAERO [NH3+]CCCNC(=O)[C@H]1Cc2ccccc2N1 ZINC000077563640 181381912 /nfs/dbraw/zinc/38/19/12/181381912.db2.gz NMOZETVMOPYESN-LLVKDONJSA-N 1 0 219.288 0.488 10 0 BCAERO [NH3+]CCCNc1ccc2c(c1)NC(=O)CO2 ZINC000082598977 181383349 /nfs/dbraw/zinc/38/33/49/181383349.db2.gz IPMFHSIEUSMIJQ-UHFFFAOYSA-N 1 0 221.260 0.778 10 0 BCAERO [NH3+]CCCN[C@H]1CS(=O)(=O)c2ccccc21 ZINC000035688498 181383392 /nfs/dbraw/zinc/38/33/92/181383392.db2.gz GMYBPFRHMQFCCR-JTQLQIEISA-N 1 0 240.328 0.453 10 0 BCAERO [NH3+]CCCNc1ccc2[nH]c(=O)[nH]c2c1 ZINC000082593812 181384109 /nfs/dbraw/zinc/38/41/09/181384109.db2.gz SHELKCSQBOSREQ-UHFFFAOYSA-N 1 0 206.249 0.617 10 0 BCAERO [NH3+]CCCc1noc([C@@H]2COCCO2)n1 ZINC000055305658 181388172 /nfs/dbraw/zinc/38/81/72/181388172.db2.gz BBTWNLNKIDOFMS-ZETCQYMHSA-N 1 0 213.237 0.049 10 0 BCAERO [NH3+]CCCn1ncc(=O)c2ccccc21 ZINC000036867203 181389009 /nfs/dbraw/zinc/38/90/09/181389009.db2.gz KKWSJGWZEWPRSB-UHFFFAOYSA-N 1 0 203.245 0.745 10 0 BCAERO [NH3+]CCCn1nnnc1-c1ccccn1 ZINC000042199260 181390320 /nfs/dbraw/zinc/39/03/20/181390320.db2.gz WOTXKNLOEQINJR-UHFFFAOYSA-N 1 0 204.237 0.084 10 0 BCAERO [NH3+]CCN1C(=O)N[C@H](c2ccccc2)C1=O ZINC000057839944 181390847 /nfs/dbraw/zinc/39/08/47/181390847.db2.gz ZLQLLHXQUPJIIT-SECBINFHSA-N 1 0 219.244 0.238 10 0 BCAERO [NH3+]CCN1C(=O)N[C@@H](c2ccccc2)C1=O ZINC000057839949 181391069 /nfs/dbraw/zinc/39/10/69/181391069.db2.gz ZLQLLHXQUPJIIT-VIFPVBQESA-N 1 0 219.244 0.238 10 0 BCAERO [NH3+]CCNC(=O)[C@H]1Cc2ccccc2N1 ZINC000077491804 181395305 /nfs/dbraw/zinc/39/53/05/181395305.db2.gz MIFHDBORVZQUCO-SNVBAGLBSA-N 1 0 205.261 0.098 10 0 BCAERO [NH3+]CCNC(=O)c1nccc2ccccc21 ZINC000043512253 181395331 /nfs/dbraw/zinc/39/53/31/181395331.db2.gz QERMPIMLULVSPA-UHFFFAOYSA-N 1 0 215.256 0.923 10 0 BCAERO [NH3+]CC[C@@H](N1CCn2ccnc2C1)C(F)(F)F ZINC000062248320 181403022 /nfs/dbraw/zinc/40/30/22/181403022.db2.gz CPGOMRHZUSAARB-MRVPVSSYSA-N 1 0 248.252 0.978 10 0 BCAERO [NH3+]CCS(=O)(=O)Cc1cccc(F)c1 ZINC000058249949 181399904 /nfs/dbraw/zinc/39/99/04/181399904.db2.gz GVMDPWOVLLSJAK-UHFFFAOYSA-N 1 0 217.265 0.699 10 0 BCAERO C([C@@H]1CCCOC1)[N@@H+]1CC[C@@H]2OCCN[C@@H]2C1 ZINC000575046225 365171391 /nfs/dbraw/zinc/17/13/91/365171391.db2.gz HKMLPMPLQXVBGR-XQQFMLRXSA-N 1 0 240.347 0.476 10 0 BCAERO [NH3+]CC[C@H](O)CCOc1ccc2c(c1)OCO2 ZINC000041281589 181407898 /nfs/dbraw/zinc/40/78/98/181407898.db2.gz QQSWTKLUEKTUNC-VIFPVBQESA-N 1 0 239.271 0.894 10 0 BCAERO [NH3+]C[C@@H](O)COCCOc1ccccc1 ZINC000019281405 181421334 /nfs/dbraw/zinc/42/13/34/181421334.db2.gz XHAGYWNEVHSQAP-SNVBAGLBSA-N 1 0 211.261 0.402 10 0 BCAERO CN(c1ncnc2[nH]ccc21)[C@H]1CC[NH2+]C1 ZINC000580533947 365337180 /nfs/dbraw/zinc/33/71/80/365337180.db2.gz BSLNSBXETAMQDD-QMMMGPOBSA-N 1 0 217.276 0.756 10 0 BCAERO CC(C)[N@H+]1C[C@H](NS(C)(=O)=O)[C@@H](C)C1 ZINC000174003116 365464551 /nfs/dbraw/zinc/46/45/51/365464551.db2.gz CXEQOMVECWEIGE-IUCAKERBSA-N 1 0 220.338 0.264 10 0 BCAERO CC(C)n1cc(N2C[C@@H]([NH3+])CCC2=O)cn1 ZINC000685947535 541496910 /nfs/dbraw/zinc/49/69/10/541496910.db2.gz LOKCMERCTCKGDZ-VIFPVBQESA-N 1 0 222.292 0.918 10 0 BCAERO Cc1ccnc(-c2cnnn2C2C[NH2+]C2)n1 ZINC000685952067 541497472 /nfs/dbraw/zinc/49/74/72/541497472.db2.gz RSJKMSSDNUVBJJ-UHFFFAOYSA-N 1 0 216.248 0.188 10 0 BCAERO CCc1nnc(CN2C[C@H](C)[NH2+][C@@H](C)C2)n1C ZINC000580893009 367199954 /nfs/dbraw/zinc/19/99/54/367199954.db2.gz AZDSQOGRSUWPAC-UWVGGRQHSA-N 1 0 237.351 0.560 10 0 BCAERO C[C@@H]1[C@H](C)OCCN1C(=O)C1([NH3+])CCOCC1 ZINC000380558000 367242593 /nfs/dbraw/zinc/24/25/93/367242593.db2.gz JRONMFNHPWCTTK-ZJUUUORDSA-N 1 0 242.319 0.130 10 0 BCAERO C[C@H]1OCCN(C(=O)C2([NH3+])CCOCC2)[C@H]1C ZINC000380557999 367243185 /nfs/dbraw/zinc/24/31/85/367243185.db2.gz JRONMFNHPWCTTK-VHSXEESVSA-N 1 0 242.319 0.130 10 0 BCAERO O=C1NC[C@H](C[NH2+][C@@H]2CCC[C@H]2CCO)O1 ZINC000381533744 367425878 /nfs/dbraw/zinc/42/58/78/367425878.db2.gz DJMUOHJPDPHNAB-LPEHRKFASA-N 1 0 228.292 0.236 10 0 BCAERO CCC(C)(C)[NH2+][C@@H](C)C(=O)N[C@@H]1C[C@H]1CO ZINC000382013925 367478559 /nfs/dbraw/zinc/47/85/59/367478559.db2.gz NNNKPRPXRYCQNF-LPEHRKFASA-N 1 0 228.336 0.650 10 0 BCAERO C[C@H]1OCC[C@H]1[NH2+]CC(=O)NCC1CCC1 ZINC000382143218 367491168 /nfs/dbraw/zinc/49/11/68/367491168.db2.gz NFYUDYNDLRANQZ-MWLCHTKSSA-N 1 0 226.320 0.670 10 0 BCAERO CC1(C[N@@H+]2CC[C@@H]3OCCN[C@@H]3C2)CC1 ZINC000381590367 367434378 /nfs/dbraw/zinc/43/43/78/367434378.db2.gz JEPZNLUXIAUQTH-MNOVXSKESA-N 1 0 210.321 0.849 10 0 BCAERO [NH3+]C[C@H]1CC[C@@H](Nc2ncnc3nc[nH]c32)C1 ZINC000382453990 367526667 /nfs/dbraw/zinc/52/66/67/367526667.db2.gz HRGASESULLXRFA-JGVFFNPUSA-N 1 0 232.291 0.892 10 0 BCAERO [NH3+]C[C@H]1CC[C@H](Nc2ccc3nccnc3n2)C1 ZINC000382474847 367529347 /nfs/dbraw/zinc/52/93/47/367529347.db2.gz SBODRTBHKDPZCF-UWVGGRQHSA-N 1 0 243.314 0.938 10 0 BCAERO [NH3+]C[C@@H]1CC[C@H](Nc2ccc3nccnc3n2)C1 ZINC000382474853 367529372 /nfs/dbraw/zinc/52/93/72/367529372.db2.gz SBODRTBHKDPZCF-ZJUUUORDSA-N 1 0 243.314 0.938 10 0 BCAERO CCc1cnc(CNC(=O)[C@H]2C[C@H](F)C[NH2+]2)o1 ZINC000581487445 367519326 /nfs/dbraw/zinc/51/93/26/367519326.db2.gz OARWMUYYCKZOPS-IONNQARKSA-N 1 0 241.266 0.553 10 0 BCAERO Cc1cnn(CCNC(=O)[C@H](C)[NH2+]C2CC2)c1 ZINC000383122592 367598173 /nfs/dbraw/zinc/59/81/73/367598173.db2.gz GXRYUKQTCLRQNT-JTQLQIEISA-N 1 0 236.319 0.448 10 0 BCAERO Cc1cnn(CCNC(=O)[C@@H](C)[NH2+]C2CC2)c1 ZINC000383122600 367598217 /nfs/dbraw/zinc/59/82/17/367598217.db2.gz GXRYUKQTCLRQNT-SNVBAGLBSA-N 1 0 236.319 0.448 10 0 BCAERO COCCOCC[N@@H+]1CCC[C@@H](O)[C@@H]1C ZINC000384838759 367740461 /nfs/dbraw/zinc/74/04/61/367740461.db2.gz IKGBMVYBWGFDCF-WDEREUQCSA-N 1 0 217.309 0.495 10 0 BCAERO [NH3+]C[C@@H]1CCCN1C(=O)COCC(F)(F)F ZINC000226279391 181429171 /nfs/dbraw/zinc/42/91/71/181429171.db2.gz IXXRGVNAUNMNFL-ZETCQYMHSA-N 1 0 240.225 0.515 10 0 BCAERO [NH3+]C[C@@H]1CCCN1Cc1noc(C2CC2)n1 ZINC000133241540 181430602 /nfs/dbraw/zinc/43/06/02/181430602.db2.gz IVMGQJOKNXKTFX-VIFPVBQESA-N 1 0 222.292 0.870 10 0 BCAERO [NH3+]C[C@@H]1CCCN1CC(=O)N1CCCCCC1 ZINC000111381064 181431383 /nfs/dbraw/zinc/43/13/83/181431383.db2.gz RHHPLHPTKLAVPD-LBPRGKRZSA-N 1 0 239.363 0.812 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)[C@H]1CCCOC1 ZINC000250653967 181431707 /nfs/dbraw/zinc/43/17/07/181431707.db2.gz NGRWERVGLRRXBV-DCAQKATOSA-N 1 0 226.320 0.657 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)C[C@H]1CCCO1 ZINC000250640742 181432094 /nfs/dbraw/zinc/43/20/94/181432094.db2.gz HEWANKILYGPPOR-AXFHLTTASA-N 1 0 226.320 0.799 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)[C@@H](O)c1ccccc1 ZINC000226984215 181432287 /nfs/dbraw/zinc/43/22/87/181432287.db2.gz CSJFCOVPUHZIEJ-AVGNSLFASA-N 1 0 248.326 0.964 10 0 BCAERO CC[C@H](C)[C@@H]([NH3+])C(=O)NCCSC ZINC000069013449 370872834 /nfs/dbraw/zinc/87/28/34/370872834.db2.gz VBSUHRSJSGMGCV-JGVFFNPUSA-N 1 0 204.339 0.839 10 0 BCAERO C[C@@H]1OCC[C@@H]1[NH2+][C@H]1CCCNC(=O)C1 ZINC000252747336 367906216 /nfs/dbraw/zinc/90/62/16/367906216.db2.gz RNNZPUJGQZYHOW-GUBZILKMSA-N 1 0 212.293 0.422 10 0 BCAERO CN1CCN(c2ccc(Cl)cn2)[C@H](C[NH3+])C1 ZINC000087613851 367915441 /nfs/dbraw/zinc/91/54/41/367915441.db2.gz ICFPOLVQAHLBJV-SNVBAGLBSA-N 1 0 240.738 0.814 10 0 BCAERO Cc1ccnc(N2CCN(C)C[C@@H]2C[NH3+])c1 ZINC000087613853 367915480 /nfs/dbraw/zinc/91/54/80/367915480.db2.gz WEMHCKPKAWBSMR-NSHDSACASA-N 1 0 220.320 0.469 10 0 BCAERO CN1CCN(c2ccccn2)[C@H](C[NH3+])C1 ZINC000087613833 367916299 /nfs/dbraw/zinc/91/62/99/367916299.db2.gz MNXLSLBEMPOWCB-SNVBAGLBSA-N 1 0 206.293 0.161 10 0 BCAERO Cc1nnc(N2CC[C@H]3C[NH2+]C[C@H]3CC2)nc1C ZINC000386209237 367930251 /nfs/dbraw/zinc/93/02/51/367930251.db2.gz MMZFUWRRXMZBRB-TXEJJXNPSA-N 1 0 247.346 0.924 10 0 BCAERO C[C@H](NC(=O)[C@@H]([NH3+])CO)c1ccccc1 ZINC000220316571 367898689 /nfs/dbraw/zinc/89/86/89/367898689.db2.gz BKTJVAGRCVMKHG-WPRPVWTQSA-N 1 0 208.261 0.183 10 0 BCAERO Cc1cnc(N2CC[NH2+][C@H](C)C2)nc1C ZINC000386386574 367960358 /nfs/dbraw/zinc/96/03/58/367960358.db2.gz BABNVUUZTSBOMS-SECBINFHSA-N 1 0 206.293 0.892 10 0 BCAERO CC[C@H]([NH2+]Cc1c(C)nn(C)c1OC)[C@H](C)O ZINC000386886983 368031213 /nfs/dbraw/zinc/03/12/13/368031213.db2.gz MZENEEHDCVNTBF-ONGXEEELSA-N 1 0 241.335 0.986 10 0 BCAERO CN1CCO[C@H](C[NH3+])[C@H]1c1cscn1 ZINC000252914579 368166916 /nfs/dbraw/zinc/16/69/16/368166916.db2.gz RNAZFNGUTDWJHG-RKDXNWHRSA-N 1 0 213.306 0.474 10 0 BCAERO Clc1cncnc1N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000252972476 368174989 /nfs/dbraw/zinc/17/49/89/368174989.db2.gz RQKOAJOOXTWEEB-BDINMYNLSA-N 1 0 210.668 0.760 10 0 BCAERO C[NH+](C)CCn1cc(N)cc(Cl)c1=O ZINC000224125034 368366842 /nfs/dbraw/zinc/36/68/42/368366842.db2.gz JPZCFNWXRDPSAN-UHFFFAOYSA-N 1 0 215.684 0.646 10 0 BCAERO C[C@@H](C[N@@H+]1CCC[C@](C)(O)C1)C(N)=S ZINC000253059273 368419914 /nfs/dbraw/zinc/41/99/14/368419914.db2.gz CEMWGPSMYUYSJL-WPRPVWTQSA-N 1 0 216.350 0.755 10 0 BCAERO Clc1ccc2nc(N3CC[NH2+]CC3)nn2c1 ZINC000087101458 368888761 /nfs/dbraw/zinc/88/87/61/368888761.db2.gz UOFACLBMVDECCH-UHFFFAOYSA-N 1 0 237.694 0.792 10 0 BCAERO COC(=O)C1CCN(C[C@@H]2CCC[N@@H+]2C)CC1 ZINC000387498458 368905456 /nfs/dbraw/zinc/90/54/56/368905456.db2.gz XITQWVMZPKGYHF-LBPRGKRZSA-N 1 0 240.347 0.966 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)N2CCC(C[NH3+])CC2)O1 ZINC000088140292 368905528 /nfs/dbraw/zinc/90/55/28/368905528.db2.gz IEVQYXDUFHBDBY-MWLCHTKSSA-N 1 0 226.320 0.751 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)NCC[C@@H]2CC[NH2+]C2)O1 ZINC000088142114 368905742 /nfs/dbraw/zinc/90/57/42/368905742.db2.gz BVAUASRPSCFAGD-OUAUKWLOSA-N 1 0 226.320 0.670 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)NC2(C[NH3+])CCCC2)O1 ZINC000088142142 368906248 /nfs/dbraw/zinc/90/62/48/368906248.db2.gz WZCZVESGTGVFTA-NXEZZACHSA-N 1 0 226.320 0.942 10 0 BCAERO Cc1cccc(CNC(=O)[C@@H]2C[NH2+]C[C@H]2C)n1 ZINC000111272338 368853971 /nfs/dbraw/zinc/85/39/71/368853971.db2.gz ATLOSULAPKJPRJ-BXKDBHETSA-N 1 0 233.315 0.862 10 0 BCAERO Cc1cnc(C[NH2+][C@H]2CCOC[C@@H]2O)s1 ZINC000623766196 368996086 /nfs/dbraw/zinc/99/60/86/368996086.db2.gz BVJROYFHDLVGCR-IUCAKERBSA-N 1 0 228.317 0.691 10 0 BCAERO [NH3+]C[C@H](CO)Cc1cnn(-c2ccccc2)c1 ZINC000019267361 181443691 /nfs/dbraw/zinc/44/36/91/181443691.db2.gz LJHPLOXYNPAMSS-LLVKDONJSA-N 1 0 231.299 0.982 10 0 BCAERO C[C@H]1CN(Cc2cn3cccnc3n2)C[C@@H]1C[NH3+] ZINC000631838857 369121875 /nfs/dbraw/zinc/12/18/75/369121875.db2.gz WDZBWDQVFDXGQC-QWRGUYRKSA-N 1 0 245.330 0.756 10 0 BCAERO [NH3+]CCN1CCCO[C@H](Nc2ccccn2)C1 ZINC000616680215 369110930 /nfs/dbraw/zinc/11/09/30/369110930.db2.gz POCAHQOKHGZLRS-LBPRGKRZSA-N 1 0 236.319 0.501 10 0 BCAERO [NH3+]CCN1CCCO[C@H](c2cnco2)C1 ZINC000616678596 369111115 /nfs/dbraw/zinc/11/11/15/369111115.db2.gz KFLZODBSCVMWQM-JTQLQIEISA-N 1 0 211.265 0.397 10 0 BCAERO Nc1cccc([C@@H]2C[N@H+](CCO)CCCO2)n1 ZINC000616678546 369111239 /nfs/dbraw/zinc/11/12/39/369111239.db2.gz IUNYRPMDIZUCNV-NSHDSACASA-N 1 0 237.303 0.420 10 0 BCAERO Nc1ncccc1[C@@H]1CN(CC[NH3+])CCCO1 ZINC000616682331 369111645 /nfs/dbraw/zinc/11/16/45/369111645.db2.gz YPZWJZDMJHANBH-NSHDSACASA-N 1 0 236.319 0.386 10 0 BCAERO [NH3+]CCN1CCCO[C@H](c2ccnnc2)C1 ZINC000616680172 369111656 /nfs/dbraw/zinc/11/16/56/369111656.db2.gz ONCQQMXWPTZHMT-NSHDSACASA-N 1 0 222.292 0.199 10 0 BCAERO [NH3+]C[C@H](O)Cn1cc(-c2ccccc2)cn1 ZINC000054961343 181450134 /nfs/dbraw/zinc/45/01/34/181450134.db2.gz NEBIOHQYSAZIDI-LBPRGKRZSA-N 1 0 217.272 0.870 10 0 BCAERO CS(=O)(=O)N1C[C@H](C[NH3+])Nc2ccccc21 ZINC000616691643 369114598 /nfs/dbraw/zinc/11/45/98/369114598.db2.gz PRQIYBXAAGXVFR-QMMMGPOBSA-N 1 0 241.316 0.205 10 0 BCAERO [NH3+]C[C@H]1CC[C@H](COC2CCOCC2)O1 ZINC000052597246 181466053 /nfs/dbraw/zinc/46/60/53/181466053.db2.gz YKBKFCADLCQIDZ-GHMZBOCLSA-N 1 0 215.293 0.688 10 0 BCAERO [NH3+]C[C@H]1CCC[C@H]1NC(=O)[C@@H]1CCCO1 ZINC000061882809 181462421 /nfs/dbraw/zinc/46/24/21/181462421.db2.gz LKPIJOGNVKPXHW-BBBLOLIVSA-N 1 0 212.293 0.409 10 0 BCAERO [NH3+]C[C@H]1CCC[C@H]1NS(=O)(=O)CCCF ZINC000237847428 181463447 /nfs/dbraw/zinc/46/34/47/181463447.db2.gz KEJQYINPDXFWQW-RKDXNWHRSA-N 1 0 238.328 0.393 10 0 BCAERO O[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000623766943 369215958 /nfs/dbraw/zinc/21/59/58/369215958.db2.gz NXIACOYZCVEAQG-GRYCIOLGSA-N 1 0 241.331 0.828 10 0 BCAERO COC(=O)[C@@H]1CCCC[N@@H+]1C[C@@H]1CNC(=O)C1 ZINC000400146801 369343602 /nfs/dbraw/zinc/34/36/02/369343602.db2.gz ZLFHZKRKDSXJKJ-UWVGGRQHSA-N 1 0 240.303 0.150 10 0 BCAERO CN1CCN(c2cc[nH+]cc2C=O)CC1 ZINC000107375327 369344894 /nfs/dbraw/zinc/34/48/94/369344894.db2.gz PXWGXRXSSQCJSQ-UHFFFAOYSA-N 1 0 205.261 0.646 10 0 BCAERO C[C@H]1CN(CC(=O)NC2CCCC2)C[C@@H]1C[NH3+] ZINC000631842578 369368293 /nfs/dbraw/zinc/36/82/93/369368293.db2.gz CCIZUGICIZUQCH-QWRGUYRKSA-N 1 0 239.363 0.572 10 0 BCAERO CC(C)n1cncc1C[NH2+][C@H]1CCOC[C@@H]1O ZINC000623767443 369395950 /nfs/dbraw/zinc/39/59/50/369395950.db2.gz WDUPPHKNCYFNCD-RYUDHWBXSA-N 1 0 239.319 0.703 10 0 BCAERO CC(C)OCC(=O)N1CC[C@H]2OCC[NH2+][C@H]2C1 ZINC000404023061 369417610 /nfs/dbraw/zinc/41/76/10/369417610.db2.gz UISRRXQZKROQBR-WDEREUQCSA-N 1 0 242.319 0.001 10 0 BCAERO O=C(c1ccc[nH]1)N1CC[C@H]2OCC[NH2+][C@@H]2C1 ZINC000404045870 369417659 /nfs/dbraw/zinc/41/76/59/369417659.db2.gz IUHIGIYYEFWKGH-GHMZBOCLSA-N 1 0 235.287 0.218 10 0 BCAERO CCOC(=O)[C@H](C)N1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC000404244407 369423731 /nfs/dbraw/zinc/42/37/31/369423731.db2.gz ZGONAJYNBDAQSB-DCAQKATOSA-N 1 0 242.319 0.001 10 0 BCAERO Cc1ncccc1CN1CC[C@H]2OCC[NH2+][C@@H]2C1 ZINC000404283615 369425463 /nfs/dbraw/zinc/42/54/63/369425463.db2.gz WNTZEVORXZOADH-ZIAGYGMSSA-N 1 0 247.342 0.953 10 0 BCAERO [NH3+]Cc1ccc(F)c(CN2C(=O)CNC2=O)c1 ZINC000019283179 181483072 /nfs/dbraw/zinc/48/30/72/181483072.db2.gz NAWXPQVIOQHBTR-UHFFFAOYSA-N 1 0 237.234 0.336 10 0 BCAERO [NH3+]CCCn1nncc1Br ZINC000215240760 370170441 /nfs/dbraw/zinc/17/04/41/370170441.db2.gz WOIPXOAMKIYOQQ-UHFFFAOYSA-N 1 0 205.059 0.389 10 0 BCAERO COCC[N@H+](C)CCCNC(=O)N[C@@H]1C[C@@H]1C ZINC000076074253 370210193 /nfs/dbraw/zinc/21/01/93/370210193.db2.gz ABEBFKAWUCGWJA-WDEREUQCSA-N 1 0 243.351 0.662 10 0 BCAERO Cc1cc(C[N@@H+]2CCC[C@@](O)(C(N)=O)C2)ccn1 ZINC000621294266 370220179 /nfs/dbraw/zinc/22/01/79/370220179.db2.gz YCYYWCGOJAGUEE-ZDUSSCGKSA-N 1 0 249.314 0.202 10 0 BCAERO OCC[NH+]1CCC(NCc2ccco2)CC1 ZINC000310022295 370289211 /nfs/dbraw/zinc/28/92/11/370289211.db2.gz NYWLCACHUUDNRR-UHFFFAOYSA-N 1 0 224.304 0.826 10 0 BCAERO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)Cc3ccncc3)C[C@H]12 ZINC000310903162 370371672 /nfs/dbraw/zinc/37/16/72/370371672.db2.gz BKNCKNSDUCGSRB-FRRDWIJNSA-N 1 0 245.326 0.820 10 0 BCAERO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)Cc3ccncc3)C[C@@H]12 ZINC000310903164 370371979 /nfs/dbraw/zinc/37/19/79/370371979.db2.gz BKNCKNSDUCGSRB-JHJVBQTASA-N 1 0 245.326 0.820 10 0 BCAERO COC[C@@]1(C(=O)NCC2CC(C)C2)CCC[NH2+]1 ZINC000621676291 370428269 /nfs/dbraw/zinc/42/82/69/370428269.db2.gz GKINCABSVXVBNT-GCZXYKMCSA-N 1 0 240.347 0.917 10 0 BCAERO Cn1cnc(CC[NH2+]C[C@H](O)C(C)(C)C)c1 ZINC000313261159 370574482 /nfs/dbraw/zinc/57/44/82/370574482.db2.gz IQZASTSOEXHEDJ-NSHDSACASA-N 1 0 225.336 0.959 10 0 BCAERO C[C@@H](O)CCNC(=O)CC[C@H]1CCC[NH2+]C1 ZINC000082995822 371058837 /nfs/dbraw/zinc/05/88/37/371058837.db2.gz CREOWYABIAEDHX-GHMZBOCLSA-N 1 0 228.336 0.653 10 0 BCAERO Cc1nc(C[NH2+][C@H]2CCOC[C@@H]2O)cs1 ZINC000623765260 371086271 /nfs/dbraw/zinc/08/62/71/371086271.db2.gz PYNOEDIJSJSMDA-UWVGGRQHSA-N 1 0 228.317 0.691 10 0 BCAERO O[C@@H]1COCC[C@@H]1[NH2+]Cc1nccs1 ZINC000623764902 371086413 /nfs/dbraw/zinc/08/64/13/371086413.db2.gz LMJMLEQDIRVGSN-JGVFFNPUSA-N 1 0 214.290 0.383 10 0 BCAERO CC[C@@H]1C[C@H]([NH2+][C@@H]2CCOC[C@@H]2O)CCO1 ZINC000623767066 371086453 /nfs/dbraw/zinc/08/64/53/371086453.db2.gz PJEVMVYVMXMPBO-KKOKHZNYSA-N 1 0 229.320 0.683 10 0 BCAERO COC(=O)c1ccc(C[NH2+]CC2CC(O)C2)[nH]1 ZINC000093085971 371133764 /nfs/dbraw/zinc/13/37/64/371133764.db2.gz WFZVCIFOPILDNW-UHFFFAOYSA-N 1 0 238.287 0.662 10 0 BCAERO COC[C@H](C)[NH2+][C@@H]1CCc2nnc(C)n2C1 ZINC000390410494 371199763 /nfs/dbraw/zinc/19/97/63/371199763.db2.gz DRFDZPIEIVYCST-WCBMZHEXSA-N 1 0 224.308 0.526 10 0 BCAERO Cc1nnc2n1C[C@@H]([NH2+]CC1CC1)CC2 ZINC000389914578 371181063 /nfs/dbraw/zinc/18/10/63/371181063.db2.gz KOHDQXXVIFWPGY-JTQLQIEISA-N 1 0 206.293 0.901 10 0 BCAERO [NH3+][C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1CCCO1 ZINC000038048944 181573822 /nfs/dbraw/zinc/57/38/22/181573822.db2.gz ONWGWKFUNMMXFJ-UTLUCORTSA-N 1 0 212.293 0.552 10 0 BCAERO [NH3+][C@@H]1CCC[C@@H](C(=O)N[C@@H]2CCCOC2)C1 ZINC000071023480 181579520 /nfs/dbraw/zinc/57/95/20/181579520.db2.gz ORSQWYMUQZOYOK-GMTAPVOTSA-N 1 0 226.320 0.799 10 0 BCAERO [NH3+][C@@H]1CCC[C@@H](CN2CCS(=O)(=O)CC2)C1 ZINC000070503149 181580372 /nfs/dbraw/zinc/58/03/72/181580372.db2.gz ZIFUNDYRKLDORU-GHMZBOCLSA-N 1 0 246.376 0.234 10 0 BCAERO [NH3+][C@@H]1CC[C@@H](C(=O)N[C@@H]2CCCOC2)C1 ZINC000227804644 181591466 /nfs/dbraw/zinc/59/14/66/181591466.db2.gz CGUTVEJLQRSJRD-OPRDCNLKSA-N 1 0 212.293 0.409 10 0 BCAERO [NH3+][C@@H]1CC[C@H](C(=O)NC[C@@H](O)C(F)(F)F)C1 ZINC000226320640 181593605 /nfs/dbraw/zinc/59/36/05/181593605.db2.gz PACJTHBZLXZKBI-RRKCRQDMSA-N 1 0 240.225 0.153 10 0 BCAERO [NH3+][C@H]1CCCC[C@@H]1C(=O)NC1CCOCC1 ZINC000055087761 181639584 /nfs/dbraw/zinc/63/95/84/181639584.db2.gz HAOGQZAKEZFQML-QWRGUYRKSA-N 1 0 226.320 0.799 10 0 BCAERO [NH3+][C@H]1CCCC[C@@H]1N1C(=O)CCCC1=O ZINC000041042449 181640720 /nfs/dbraw/zinc/64/07/20/181640720.db2.gz CEZHLNPTKBAUTE-IUCAKERBSA-N 1 0 210.277 0.795 10 0 BCAERO [NH3+][C@H]1CCCC[C@H]1NC(=O)c1cnccn1 ZINC000038048876 181642719 /nfs/dbraw/zinc/64/27/19/181642719.db2.gz PGTBNAGDCRALEG-DTWKUNHWSA-N 1 0 220.276 0.476 10 0 BCAERO Nc1ccc(=O)n(CCC[NH+]2CCCC2)c1 ZINC000037065061 181698958 /nfs/dbraw/zinc/69/89/58/181698958.db2.gz CDCZPFYGOFSGLY-UHFFFAOYSA-N 1 0 221.304 0.916 10 0 BCAERO CO[C@@H]1CCC[C@H]([NH2+][C@@H]2CCOC[C@@H]2O)C1 ZINC000624237725 371426309 /nfs/dbraw/zinc/42/63/09/371426309.db2.gz CDWGHRMUUWCNHE-QCNOEVLYSA-N 1 0 229.320 0.683 10 0 BCAERO CC1(C)C[C@H]([NH2+][C@H]2CCOC[C@@H]2O)CO1 ZINC000624239791 371427486 /nfs/dbraw/zinc/42/74/86/371427486.db2.gz ULBZYYBQUBXRCO-GUBZILKMSA-N 1 0 215.293 0.293 10 0 BCAERO O[C@H]1COCC[C@H]1[NH2+]C1CCN(C2CC2)CC1 ZINC000624239744 371428725 /nfs/dbraw/zinc/42/87/25/371428725.db2.gz SLVOLXJMCKGYBS-OLZOCXBDSA-N 1 0 240.347 0.353 10 0 BCAERO c1cn([C@@H]2COC[C@@H]2[NH2+]Cc2cc[nH]c2)nn1 ZINC000284917600 371544183 /nfs/dbraw/zinc/54/41/83/371544183.db2.gz VGXZASOUFFXAPG-WDEREUQCSA-N 1 0 233.275 0.336 10 0 BCAERO CC(C)SCC(=O)NC[C@H]1CC[NH2+]C1 ZINC000215461067 371554917 /nfs/dbraw/zinc/55/49/17/371554917.db2.gz APTGOJBNHXWVTK-VIFPVBQESA-N 1 0 216.350 0.854 10 0 BCAERO Cc1nc(OCC(F)F)cc(NN)[nH+]1 ZINC000131129455 371562236 /nfs/dbraw/zinc/56/22/36/371562236.db2.gz FHCKWWPYMRWEIT-UHFFFAOYSA-N 1 0 204.180 0.715 10 0 BCAERO C[C@@H]1C[C@H](C(=O)NC(C)(C)C[NH3+])CO1 ZINC000161780974 371563460 /nfs/dbraw/zinc/56/34/60/371563460.db2.gz WGDRANHAXBLLKY-SFYZADRCSA-N 1 0 200.282 0.265 10 0 BCAERO CNC(=O)CO[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000131149101 371564317 /nfs/dbraw/zinc/56/43/17/371564317.db2.gz GQTBIJFEOMLLJC-DTWKUNHWSA-N 1 0 200.282 0.409 10 0 BCAERO CC(C)[C@H](O)C[N@@H+]1CCN(C)[C@@H](C)C1 ZINC000226402705 371662268 /nfs/dbraw/zinc/66/22/68/371662268.db2.gz MPNGBKRGSKNGRQ-WDEREUQCSA-N 1 0 200.326 0.639 10 0 BCAERO [NH3+][C@@H]1COC[C@@H]1C(=O)Cc1ccccn1 ZINC000226614011 371706566 /nfs/dbraw/zinc/70/65/66/371706566.db2.gz VLDJRLDEXVJGHJ-VHSXEESVSA-N 1 0 206.245 0.167 10 0 BCAERO C[C@@H]([NH3+])C[C@@H]1CCCCN1S(C)(=O)=O ZINC000216236006 371724854 /nfs/dbraw/zinc/72/48/54/371724854.db2.gz FSNOVFKINJBCEZ-BDAKNGLRSA-N 1 0 220.338 0.538 10 0 BCAERO O=S1(=O)CCCCN1C[C@H]1CCC[NH2+]1 ZINC000162646874 371736939 /nfs/dbraw/zinc/73/69/39/371736939.db2.gz WEMKNEOTYOZNNK-SECBINFHSA-N 1 0 218.322 0.164 10 0 BCAERO Nc1ncccc1C(=O)C1=CC[C@@H]([NH3+])C1 ZINC000226567295 371698495 /nfs/dbraw/zinc/69/84/95/371698495.db2.gz ZRICASOATZQTRR-HTQZYQBOSA-N 1 0 203.245 0.750 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1NS(=O)(=O)C(C)(C)C ZINC000162501747 371700135 /nfs/dbraw/zinc/70/01/35/371700135.db2.gz KWDDZOONXGYAGK-HTQZYQBOSA-N 1 0 220.338 0.312 10 0 BCAERO O=C(C[C@H]1COCC[NH2+]1)C1CCOCC1 ZINC000226759166 371738554 /nfs/dbraw/zinc/73/85/54/371738554.db2.gz KOYGQTSICOCFFL-JTQLQIEISA-N 1 0 213.277 0.361 10 0 BCAERO Nc1ncnc2c1ncn2C1CC[NH2+]CC1 ZINC000090602399 181809833 /nfs/dbraw/zinc/80/98/33/181809833.db2.gz LNCZNMJKNZBJCI-UHFFFAOYSA-N 1 0 218.264 0.333 10 0 BCAERO Brc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000216725744 371795568 /nfs/dbraw/zinc/79/55/68/371795568.db2.gz QPPLHBRTJGMLIW-LURJTMIESA-N 1 0 231.097 0.965 10 0 BCAERO C[C@]([NH3+])(C(=O)N[C@H]1CCSC1)C1CC1 ZINC000227210081 371800505 /nfs/dbraw/zinc/80/05/05/371800505.db2.gz FXURFAMONLSDDM-WCBMZHEXSA-N 1 0 214.334 0.736 10 0 BCAERO C[C@@]([NH3+])(C(=O)N[C@@H]1CCSC1)C1CC1 ZINC000227210055 371800800 /nfs/dbraw/zinc/80/08/00/371800800.db2.gz FXURFAMONLSDDM-SCZZXKLOSA-N 1 0 214.334 0.736 10 0 BCAERO C[N@@H+]1CCC[C@@H]2CN(C(N)=S)CC[C@H]21 ZINC000227331570 371836270 /nfs/dbraw/zinc/83/62/70/371836270.db2.gz ZWMYENBMWWOAGJ-RKDXNWHRSA-N 1 0 213.350 0.646 10 0 BCAERO C[C@H](C[N@@H+]1CC[C@@H](C)[C@@H](O)C1)C(N)=S ZINC000230253281 371878528 /nfs/dbraw/zinc/87/85/28/371878528.db2.gz ALKGIJSOCKSMLW-HLTSFMKQSA-N 1 0 216.350 0.611 10 0 BCAERO COCC(=O)N[C@@H]1CC[C@@H](C)[NH2+][C@@H]1C ZINC000227517541 371881105 /nfs/dbraw/zinc/88/11/05/371881105.db2.gz YZWVNTYQNCWXCM-IWSPIJDZSA-N 1 0 200.282 0.278 10 0 BCAERO Cc1csc([C@@H](C)N2C[C@@H]([NH3+])C2=O)n1 ZINC000227626461 371907991 /nfs/dbraw/zinc/90/79/91/371907991.db2.gz HOGAPAOSZXQUSD-RNFRBKRXSA-N 1 0 211.290 0.682 10 0 BCAERO C[C@H](C(N)=S)[N@@H+]1CCC[C@@H](N(C)C)C1 ZINC000227658677 371916026 /nfs/dbraw/zinc/91/60/26/371916026.db2.gz SHXSSJLLLLCVET-RKDXNWHRSA-N 1 0 215.366 0.687 10 0 BCAERO C[N@H+]([C@@H]1CCC[C@@]1(C)O)C(C)(C)CO ZINC000306195461 371998096 /nfs/dbraw/zinc/99/80/96/371998096.db2.gz YYOCDOGWSBCZDG-MWLCHTKSSA-N 1 0 201.310 0.993 10 0 BCAERO C[C@@H]([NH3+])c1noc([C@H]2CSCN2)n1 ZINC000306214713 372000508 /nfs/dbraw/zinc/00/05/08/372000508.db2.gz NTOKAGFAIIGQPB-RFZPGFLSSA-N 1 0 200.267 0.424 10 0 BCAERO [NH3+][C@@H](CC1CC1)C(=O)Nc1cnns1 ZINC000306379779 372015711 /nfs/dbraw/zinc/01/57/11/372015711.db2.gz IIDZPCKOGPDXMB-LURJTMIESA-N 1 0 212.278 0.604 10 0 BCAERO Cc1nnc([C@@](C)(C[NH3+])[C@@H](C)O)s1 ZINC000306537240 372032299 /nfs/dbraw/zinc/03/22/99/372032299.db2.gz RCLSPRJVUMXTQP-XRGYYRRGSA-N 1 0 201.295 0.444 10 0 BCAERO Nc1cc(Cl)cc(C(=O)NCC[NH3+])c1 ZINC000133411077 372041847 /nfs/dbraw/zinc/04/18/47/372041847.db2.gz LBANJDWDBFDMBK-UHFFFAOYSA-N 1 0 213.668 0.611 10 0 BCAERO C[C@@H]([NH3+])CNC(=O)c1ncncc1Cl ZINC000306646702 372048500 /nfs/dbraw/zinc/04/85/00/372048500.db2.gz DBYVVESJZKRJCA-RXMQYKEDSA-N 1 0 214.656 0.207 10 0 BCAERO C[NH2+][C@@H]1CCN(C[C@H]2CCSC2)C1=O ZINC000228576713 372050622 /nfs/dbraw/zinc/05/06/22/372050622.db2.gz AWTURRFPNVSXLX-RKDXNWHRSA-N 1 0 214.334 0.560 10 0 BCAERO CN(C1C[C@H]2CC[C@@H](C1)[NH2+]2)[S@](C)=O ZINC000306660059 372052200 /nfs/dbraw/zinc/05/22/00/372052200.db2.gz MHBQPLRBJQFMNB-LFFRYVDOSA-N 1 0 202.323 0.495 10 0 BCAERO C[C@]1(C(=O)N=S(C)(C)=O)CCC[NH2+]1 ZINC000306339068 372012775 /nfs/dbraw/zinc/01/27/75/372012775.db2.gz WSYRNJCAPKNFDI-MRVPVSSYSA-N 1 0 204.295 0.383 10 0 BCAERO [NH3+][C@H](Cc1cncs1)[C@H]1COCCO1 ZINC000133766165 372108322 /nfs/dbraw/zinc/10/83/22/372108322.db2.gz AKPKJCPMQUSTGF-RKDXNWHRSA-N 1 0 214.290 0.428 10 0 BCAERO CC(=O)NCCNC1=[NH+][C@H](C)CCS1 ZINC000133504661 372065781 /nfs/dbraw/zinc/06/57/81/372065781.db2.gz DIMFTNZAYMPIPA-SSDOTTSWSA-N 1 0 215.322 0.594 10 0 BCAERO CC1(C[NH2+][C@@H]2CCC3(C2)OCCO3)COC1 ZINC000306778947 372067354 /nfs/dbraw/zinc/06/73/54/372067354.db2.gz SREMKRIPKQYSIP-SNVBAGLBSA-N 1 0 227.304 0.908 10 0 BCAERO C[C@@H]1CCSC(NCCS(C)(=O)=O)=[NH+]1 ZINC000133516636 372067443 /nfs/dbraw/zinc/06/74/43/372067443.db2.gz BICSUAPLIDBXEJ-SSDOTTSWSA-N 1 0 236.362 0.502 10 0 BCAERO CC(=O)c1cn(C[C@H]2CCC[N@H+]2C)nn1 ZINC000306880976 372075141 /nfs/dbraw/zinc/07/51/41/372075141.db2.gz LFEYRPFCMUMVAE-SECBINFHSA-N 1 0 208.265 0.575 10 0 BCAERO C=C(Cl)C(=O)N[C@@H]1CCCN(C)C1 ZINC000306960050 372082366 /nfs/dbraw/zinc/08/23/66/372082366.db2.gz AXVZAPZEKVMMFI-MRVPVSSYSA-N 1 0 202.685 0.949 10 0 BCAERO CC[N@H+]1C[C@H](NC(=S)NC)[C@@H](C)C1 ZINC000307759635 372144363 /nfs/dbraw/zinc/14/43/63/372144363.db2.gz SLLDSVYJZVNLQH-YUMQZZPRSA-N 1 0 201.339 0.421 10 0 BCAERO C[NH+](C)CCN1CCCC2(C1)OCCO2 ZINC000134064754 372154749 /nfs/dbraw/zinc/15/47/49/372154749.db2.gz GFFRXGYWKUFCDN-UHFFFAOYSA-N 1 0 214.309 0.387 10 0 BCAERO CC(C)C[NH+]1CCC([NH3+])(C(=O)[O-])CC1 ZINC000232734247 372155929 /nfs/dbraw/zinc/15/59/29/372155929.db2.gz LJOBWEUYTUJZOQ-UHFFFAOYSA-N 1 0 200.282 0.520 10 0 BCAERO [NH3+]CCN1CCC(NC(=O)C(F)(F)F)CC1 ZINC000229554737 372164028 /nfs/dbraw/zinc/16/40/28/372164028.db2.gz ZHCWQKBXNAOHKY-UHFFFAOYSA-N 1 0 239.241 0.088 10 0 BCAERO C[C@@H]1C[NH2+]CC[C@@]1(C(=O)[O-])[NH+]1CCCC1 ZINC000229564023 372165980 /nfs/dbraw/zinc/16/59/80/372165980.db2.gz WMTQAQZTJSXPCG-MWLCHTKSSA-N 1 0 212.293 0.535 10 0 BCAERO C[C@H]1C[NH2+]CC[C@@]1(C(=O)[O-])[NH+]1CCCC1 ZINC000229564034 372166002 /nfs/dbraw/zinc/16/60/02/372166002.db2.gz WMTQAQZTJSXPCG-GXSJLCMTSA-N 1 0 212.293 0.535 10 0 BCAERO O=S1CCC([NH2+][C@@H]2CCSC2)CC1 ZINC000229175433 372125687 /nfs/dbraw/zinc/12/56/87/372125687.db2.gz OVTIZOOGPQDVJZ-XQVHRTOBSA-N 1 0 219.375 0.993 10 0 BCAERO COC[C@H]1C[N@H+](CC(C)(C)O)C[C@H](C)O1 ZINC000189425544 259553144 /nfs/dbraw/zinc/55/31/44/259553144.db2.gz RPYSLIDTMQNHTC-VHSXEESVSA-N 1 0 217.309 0.493 10 0 BCAERO Cc1nccnc1CN1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000631823726 372602541 /nfs/dbraw/zinc/60/25/41/372602541.db2.gz MNBIRPMPMLKKFQ-QJPTWQEYSA-N 1 0 232.331 0.954 10 0 BCAERO CCc1nnc(CN2C[C@H](C)[C@@H](C[NH3+])C2)n1C ZINC000631837372 372627981 /nfs/dbraw/zinc/62/79/81/372627981.db2.gz AWKQDJPWOLVZCL-UWVGGRQHSA-N 1 0 237.351 0.404 10 0 BCAERO Cc1nnsc1CN1C[C@H](C)[C@H](C[NH3+])C1 ZINC000631837550 372628897 /nfs/dbraw/zinc/62/88/97/372628897.db2.gz TWYJVNHXEAALCW-IONNQARKSA-N 1 0 226.349 0.873 10 0 BCAERO CCn1ncnc1CN1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631838210 372631814 /nfs/dbraw/zinc/63/18/14/372631814.db2.gz KPCBRZUSIUCPSX-UWVGGRQHSA-N 1 0 223.324 0.325 10 0 BCAERO CC(C)n1nnnc1CN1C[C@H](C)[C@H](C[NH3+])C1 ZINC000631838367 372632121 /nfs/dbraw/zinc/63/21/21/372632121.db2.gz NAXPUYPVEZSIBT-VHSXEESVSA-N 1 0 238.339 0.281 10 0 BCAERO C[C@H]1CN(Cc2nc(C3CC3)no2)C[C@H]1C[NH3+] ZINC000631842001 372640028 /nfs/dbraw/zinc/64/00/28/372640028.db2.gz SUQCOOWFYNYEPY-WCBMZHEXSA-N 1 0 236.319 0.974 10 0 BCAERO CC(C)CNC(=O)CN1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631842771 372641749 /nfs/dbraw/zinc/64/17/49/372641749.db2.gz FOGDYAIWXLPJGW-QWRGUYRKSA-N 1 0 227.352 0.285 10 0 BCAERO CCN(CC)S(=O)(=O)N1C[C@H](C)[C@H](C[NH3+])C1 ZINC000631968329 372705735 /nfs/dbraw/zinc/70/57/35/372705735.db2.gz UBBIUSYTSUYUFE-VHSXEESVSA-N 1 0 249.380 0.100 10 0 BCAERO C[C@@H]1CN(S(=O)(=O)CCC2CC2)C[C@@H]1C[NH3+] ZINC000631965886 372705873 /nfs/dbraw/zinc/70/58/73/372705873.db2.gz JKZSGHPRVPMSAK-KOLCDFICSA-N 1 0 246.376 0.643 10 0 BCAERO CC(C)CCS(=O)(=O)N1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631967043 372706241 /nfs/dbraw/zinc/70/62/41/372706241.db2.gz ATPMITCMBSTTAH-MNOVXSKESA-N 1 0 248.392 0.889 10 0 BCAERO CCN(CC)C(=O)N1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631968072 372706475 /nfs/dbraw/zinc/70/64/75/372706475.db2.gz RDCSQPWNZQGDKX-UWVGGRQHSA-N 1 0 213.325 0.975 10 0 BCAERO O=C(C[NH2+]C1CCCC1)NC[C@@H]1COCCO1 ZINC000038062262 181976376 /nfs/dbraw/zinc/97/63/76/181976376.db2.gz ZAZSPWDQTZOLKG-LLVKDONJSA-N 1 0 242.319 0.050 10 0 BCAERO O=C(C[NH2+]C[C@@H]1CCCOC1)N1CCCC1 ZINC000038045952 181977757 /nfs/dbraw/zinc/97/77/57/181977757.db2.gz KXWVXLSIJXUOHX-NSHDSACASA-N 1 0 226.320 0.625 10 0 BCAERO CCOCC[N@@H+]1CCN(C(=O)NC)C[C@@H]1CC ZINC000172113131 372878247 /nfs/dbraw/zinc/87/82/47/372878247.db2.gz ZEWYEEMTUFHLDL-NSHDSACASA-N 1 0 243.351 0.759 10 0 BCAERO NC(=O)CSC1=[NH+][C@@H]2CCCC[C@@H]2N1 ZINC000172167095 372894835 /nfs/dbraw/zinc/89/48/35/372894835.db2.gz AHICVZDYJMKDDH-KNVOCYPGSA-N 1 0 213.306 0.475 10 0 BCAERO NC(=O)CSC1=[NH+][C@@H]2CCCC[C@H]2N1 ZINC000172167091 372894986 /nfs/dbraw/zinc/89/49/86/372894986.db2.gz AHICVZDYJMKDDH-RNFRBKRXSA-N 1 0 213.306 0.475 10 0 BCAERO O=C(C[C@@H]1CCCC[NH2+]1)NC[C@@H]1CCOC1 ZINC000061147293 182016435 /nfs/dbraw/zinc/01/64/35/182016435.db2.gz QIXXWYYASIRNPF-QWRGUYRKSA-N 1 0 226.320 0.671 10 0 BCAERO O=C(C[C@@H]1CCC[NH2+]1)NC[C@@H](O)C(F)(F)F ZINC000226321291 182018176 /nfs/dbraw/zinc/01/81/76/182018176.db2.gz LVJLWPZGRMVYMF-NKWVEPMBSA-N 1 0 240.225 0.168 10 0 BCAERO O=C(C[C@@H]1CSCCS1)N1CC[NH2+]CC1 ZINC000238071739 182021318 /nfs/dbraw/zinc/02/13/18/182021318.db2.gz UMKFHODILXNQHR-SECBINFHSA-N 1 0 246.401 0.657 10 0 BCAERO O=C(C[C@@H]1CCC[NH2+]1)N1CCC[C@@H]1CO ZINC000042434971 182017939 /nfs/dbraw/zinc/01/79/39/182017939.db2.gz LXZDYCVREVGINM-VHSXEESVSA-N 1 0 212.293 0.112 10 0 BCAERO O=C(C[C@H]1CCCC[NH2+]1)N1CCCOCC1 ZINC000061933201 182026807 /nfs/dbraw/zinc/02/68/07/182026807.db2.gz PCMPRAWYVVKWGC-LLVKDONJSA-N 1 0 226.320 0.768 10 0 BCAERO O=C(C[C@H]1CCCC[NH2+]1)NC[C@H]1CCOC1 ZINC000061147296 182027194 /nfs/dbraw/zinc/02/71/94/182027194.db2.gz QIXXWYYASIRNPF-GHMZBOCLSA-N 1 0 226.320 0.671 10 0 BCAERO O=C(C[C@H]1CCCC[NH2+]1)NCCn1ccnc1 ZINC000042542811 182027286 /nfs/dbraw/zinc/02/72/86/182027286.db2.gz DKOSCELPUVVTSW-LLVKDONJSA-N 1 0 236.319 0.532 10 0 BCAERO O=C(C[C@H]1CCC[NH2+]C1)NC[C@@H]1CCOC1 ZINC000054307519 182028592 /nfs/dbraw/zinc/02/85/92/182028592.db2.gz HBVYPWAYFDMBQC-MNOVXSKESA-N 1 0 226.320 0.529 10 0 BCAERO O=C(NC1(CO)CCCCC1)[C@@H]1CCC[NH2+]1 ZINC000053127107 182090908 /nfs/dbraw/zinc/09/09/08/182090908.db2.gz YTWPPTWKYIXOOK-JTQLQIEISA-N 1 0 226.320 0.550 10 0 BCAERO O=C(NC1CCC(O)CC1)[C@@H]1CCC[NH2+]C1 ZINC000019411587 182102303 /nfs/dbraw/zinc/10/23/03/182102303.db2.gz HQOOIVMTPSCRMS-KPPDAEKUSA-N 1 0 226.320 0.406 10 0 BCAERO O=C(NC1CCC(O)CC1)C1CC[NH2+]CC1 ZINC000019411201 182102732 /nfs/dbraw/zinc/10/27/32/182102732.db2.gz HQGYYPCDUCRBBB-UHFFFAOYSA-N 1 0 226.320 0.406 10 0 BCAERO CC[N@@H+]1CCC[C@@H](NCc2cc[nH]n2)C1 ZINC000040502716 373360400 /nfs/dbraw/zinc/36/04/00/373360400.db2.gz MCKQXRAZIIGIJQ-LLVKDONJSA-N 1 0 208.309 0.984 10 0 BCAERO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ncccc1O ZINC000040740789 182119145 /nfs/dbraw/zinc/11/91/45/182119145.db2.gz KDNCAKCPPMFLMV-ULKQDVFKSA-N 1 0 247.298 0.800 10 0 BCAERO O=C(NC1CC[NH2+]CC1)c1ccc(=O)oc1 ZINC000037116511 182115742 /nfs/dbraw/zinc/11/57/42/182115742.db2.gz PYPBAOLJWMONOB-UHFFFAOYSA-N 1 0 222.244 0.122 10 0 BCAERO CO[C@@H]1C[NH2+][C@H](C(=O)Nc2cccnc2)C1 ZINC000040629596 373567112 /nfs/dbraw/zinc/56/71/12/373567112.db2.gz HUKBUBUNIIMCGA-UWVGGRQHSA-N 1 0 221.260 0.397 10 0 BCAERO C[C@@H]1CCN(C(=O)[C@@H]2CCOC2)C[C@H]1[NH3+] ZINC000069718706 373647015 /nfs/dbraw/zinc/64/70/15/373647015.db2.gz QXYSGCXPFCISKI-OPRDCNLKSA-N 1 0 212.293 0.219 10 0 BCAERO O=C(NCCCO)[C@H]1C[NH2+]Cc2ccccc21 ZINC000082796463 182171037 /nfs/dbraw/zinc/17/10/37/182171037.db2.gz VCJBCKLXYBOQMW-LBPRGKRZSA-N 1 0 234.299 0.372 10 0 BCAERO CC(=O)CC(=O)N[C@H]1CC[N@@H+]2CCC[C@H]12 ZINC000040805075 373748795 /nfs/dbraw/zinc/74/87/95/373748795.db2.gz KUWZZPWPBPGHGE-VHSXEESVSA-N 1 0 210.277 0.318 10 0 BCAERO O=C(NCC[C@@H]1CCC[NH2+]C1)NC1CC1 ZINC000054457126 182198856 /nfs/dbraw/zinc/19/88/56/182198856.db2.gz RSYJVWHMBBNGID-VIFPVBQESA-N 1 0 211.309 0.838 10 0 BCAERO O=C(NCC[C@@H]1CC[NH2+]C1)c1cncc(O)c1 ZINC000104414397 182199644 /nfs/dbraw/zinc/19/96/44/182199644.db2.gz ZGPQPOKCCFFAHD-VIFPVBQESA-N 1 0 235.287 0.517 10 0 BCAERO O=C(NCCc1cc(F)cc(F)c1)C1C[NH2+]C1 ZINC000091409010 182201420 /nfs/dbraw/zinc/20/14/20/182201420.db2.gz HANFYYAOCBUTRL-UHFFFAOYSA-N 1 0 240.253 0.843 10 0 BCAERO O=C(NCCc1ccco1)[C@H]1CCC[NH2+]1 ZINC000035122095 182207483 /nfs/dbraw/zinc/20/74/83/182207483.db2.gz DTKMAIZCEMQQTM-SNVBAGLBSA-N 1 0 208.261 0.690 10 0 BCAERO CC[C@]1(C)C[C@@]([NH2+]C)(C(N)=O)CCO1 ZINC000069893210 373970176 /nfs/dbraw/zinc/97/01/76/373970176.db2.gz BHHNTVWKOLIWJJ-NXEZZACHSA-N 1 0 200.282 0.409 10 0 BCAERO O=C(NC[C@@H]1CCCC[NH2+]1)C1=COCCO1 ZINC000044492195 182223291 /nfs/dbraw/zinc/22/32/91/182223291.db2.gz LGSBMKVZBFXWGV-VIFPVBQESA-N 1 0 226.276 0.133 10 0 BCAERO O=C(NC[C@@H]1CCCC[C@H]1O)[C@H]1CCC[NH2+]C1 ZINC000162140541 182225276 /nfs/dbraw/zinc/22/52/76/182225276.db2.gz SUZZQWMJOGGSSC-SDDRHHMPSA-N 1 0 240.347 0.653 10 0 BCAERO CC(C)CS(=O)(=O)N1CCC[NH2+]CC1 ZINC000070633688 374151009 /nfs/dbraw/zinc/15/10/09/374151009.db2.gz MZOBBDSPUWTNJM-UHFFFAOYSA-N 1 0 220.338 0.268 10 0 BCAERO O=C(NC[C@H]1CC=CCC1)[C@H]1C[NH2+]CCO1 ZINC000045647404 182235382 /nfs/dbraw/zinc/23/53/82/182235382.db2.gz XHMWGJILCKAGQI-WDEREUQCSA-N 1 0 224.304 0.447 10 0 BCAERO O=C(NCc1ccc(O)c(F)c1)[C@H]1CCC[NH2+]1 ZINC000238143016 182252042 /nfs/dbraw/zinc/25/20/42/182252042.db2.gz WTPWIJMUXPYTCZ-SNVBAGLBSA-N 1 0 238.262 0.900 10 0 BCAERO Cc1nnc(SC[C@H]2CC[NH2+]C2)n1C ZINC000071110068 374250439 /nfs/dbraw/zinc/25/04/39/374250439.db2.gz ICEXQUWAUUGPFM-QMMMGPOBSA-N 1 0 212.322 0.825 10 0 BCAERO O=C(NCc1cn[nH]c1)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000038006573 182270675 /nfs/dbraw/zinc/27/06/75/182270675.db2.gz OBDQDKAESMOHGZ-SRVKXCTJSA-N 1 0 248.330 0.947 10 0 BCAERO O=C(N[C@@H]1CCC[NH2+]C1)[C@H]1C[C@@H]1C1CC1 ZINC000238118833 182294037 /nfs/dbraw/zinc/29/40/37/182294037.db2.gz DOCMQHJPJKHPGO-MXWKQRLJSA-N 1 0 208.305 0.901 10 0 BCAERO O=C(N[C@@H]1CCCOC1)C1CC[NH2+]CC1 ZINC000071023598 182295202 /nfs/dbraw/zinc/29/52/02/182295202.db2.gz MWVWUFQWJIXZJF-SNVBAGLBSA-N 1 0 212.293 0.281 10 0 BCAERO O=C(N[C@@H](CO)Cc1ccccc1)[C@H]1CCC[NH2+]1 ZINC000063220894 182287148 /nfs/dbraw/zinc/28/71/48/182287148.db2.gz YTYRRTBPYWDDBV-CHWSQXEVSA-N 1 0 248.326 0.458 10 0 BCAERO O=C(N[C@@H]1CC[NH2+]C1)N1CCO[C@H]2CCC[C@@H]21 ZINC000333695501 182304126 /nfs/dbraw/zinc/30/41/26/182304126.db2.gz QEUXQDWWOISJFB-VWYCJHECSA-N 1 0 239.319 0.311 10 0 BCAERO O=C(N[C@H]1CCCOC1)[C@@H]1CC12CC[NH2+]CC2 ZINC000070256759 182330093 /nfs/dbraw/zinc/33/00/93/182330093.db2.gz MBYNNXJBZZTTEH-QWRGUYRKSA-N 1 0 238.331 0.671 10 0 BCAERO O=C(N[C@H]1CC[NH2+]C1)c1ccc(O)cc1O ZINC000052093086 182336041 /nfs/dbraw/zinc/33/60/41/182336041.db2.gz OJQZYAOTVYSRFF-ZETCQYMHSA-N 1 0 222.244 0.190 10 0 BCAERO O=C1CCCC(=O)N1CCC1CC[NH2+]CC1 ZINC000041653026 182725565 /nfs/dbraw/zinc/72/55/65/182725565.db2.gz LJQDECAWEXGULX-UHFFFAOYSA-N 1 0 224.304 0.915 10 0 BCAERO O=C1NCCCC[C@@H]1[NH2+]CCN1CCCC1 ZINC000052684546 182797352 /nfs/dbraw/zinc/79/73/52/182797352.db2.gz SGMKZQDUVGCZPF-NSHDSACASA-N 1 0 225.336 0.341 10 0 BCAERO O=C1NCCCN1CC[C@@H]1CCC[NH2+]C1 ZINC000043373364 182799684 /nfs/dbraw/zinc/79/96/84/182799684.db2.gz LRZSBWYOTPGBSE-JTQLQIEISA-N 1 0 211.309 0.791 10 0 BCAERO CCOC(=O)[C@H](N)C[N@H+](C)[C@@H](C)C1CC1 ZINC000045392653 170275787 /nfs/dbraw/zinc/27/57/87/170275787.db2.gz XLXVXYBLBBCHOG-WCBMZHEXSA-N 1 0 214.309 0.607 10 0 BCAERO O=S(=O)(C[C@@H]1CCC[NH2+]1)c1ccccn1 ZINC000095073171 182890446 /nfs/dbraw/zinc/89/04/46/182890446.db2.gz NKZHRKLPGDCOSB-VIFPVBQESA-N 1 0 226.301 0.607 10 0 BCAERO O=S(=O)(c1cccs1)[C@H]1CC[NH2+]C1 ZINC000071520123 182905130 /nfs/dbraw/zinc/90/51/30/182905130.db2.gz WVYQPNHJHZFMEM-ZETCQYMHSA-N 1 0 217.315 0.884 10 0 BCAERO O=S1(=O)CC[C@@H](OC[C@@H]2CCCC[NH2+]2)C1 ZINC000051816064 182911254 /nfs/dbraw/zinc/91/12/54/182911254.db2.gz IUKRAHXGNITCOE-VHSXEESVSA-N 1 0 233.333 0.332 10 0 BCAERO O=S1(=O)CC[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H]2C3)C1 ZINC000042290054 182911606 /nfs/dbraw/zinc/91/16/06/182911606.db2.gz ZTZPOXVQQZOACA-ZDCRXTMVSA-N 1 0 229.345 0.952 10 0 BCAERO CCCCS(=O)(=O)N(CC[NH3+])C(C)C ZINC000020183294 168924037 /nfs/dbraw/zinc/92/40/37/168924037.db2.gz GPIZLLKZPJTQKJ-UHFFFAOYSA-N 1 0 222.354 0.785 10 0 BCAERO O=[S@@](c1ccnc(Cl)n1)[C@@H]1CC[NH2+]C1 ZINC000095070093 182964947 /nfs/dbraw/zinc/96/49/47/182964947.db2.gz CFRJWVKBAJWORG-RCNPXXIZSA-N 1 0 231.708 0.600 10 0 BCAERO O=[S@](C[C@@H]1CCC[NH2+]1)c1cc(Cl)ncn1 ZINC000095070431 182966179 /nfs/dbraw/zinc/96/61/79/182966179.db2.gz BELSDFYULHKNNY-ZIDLFYJRSA-N 1 0 245.735 0.990 10 0 BCAERO O=c1c(N[C@@H]2CCC[NH2+]C2)nccn1C1CC1 ZINC000071397676 182986733 /nfs/dbraw/zinc/98/67/33/182986733.db2.gz LTVHUASYQKMDTR-SECBINFHSA-N 1 0 234.303 0.742 10 0 BCAERO O=c1ccn(CC[C@H]2CCCC[NH2+]2)c(=O)[nH]1 ZINC000043499090 183004013 /nfs/dbraw/zinc/00/40/13/183004013.db2.gz OJKJCXXJIFAICI-SECBINFHSA-N 1 0 223.276 0.069 10 0 BCAERO O=c1ccnc(SCC2CC[NH2+]CC2)[nH]1 ZINC000043498171 183005643 /nfs/dbraw/zinc/00/56/43/183005643.db2.gz AUHZJWISRKRVFM-UHFFFAOYSA-N 1 0 225.317 0.862 10 0 BCAERO O=c1n(CC[NH2+]CC2CC2)nc2n1CCCC2 ZINC000061817861 183008507 /nfs/dbraw/zinc/00/85/07/183008507.db2.gz RNAYHFAEAGYGOF-UHFFFAOYSA-N 1 0 236.319 0.381 10 0 BCAERO OC1(c2cnc3ccccn32)CC[NH2+]CC1 ZINC000089200953 183023512 /nfs/dbraw/zinc/02/35/12/183023512.db2.gz YEAOTVXAVAKRKD-UHFFFAOYSA-N 1 0 217.272 0.905 10 0 BCAERO OCC1([NH2+][C@@H]2COC[C@H]2O)CCCCC1 ZINC000053096868 183038184 /nfs/dbraw/zinc/03/81/84/183038184.db2.gz YMSTWTLYEJRQRY-NXEZZACHSA-N 1 0 215.293 0.031 10 0 BCAERO OC[C@@H]1CCCC[N@@H+]1Cc1cnccn1 ZINC000050104289 183116931 /nfs/dbraw/zinc/11/69/31/183116931.db2.gz ZRWCIBMHGOTPLC-NSHDSACASA-N 1 0 207.277 0.823 10 0 BCAERO CCCC[C@H]([NH3+])C(=O)NCC(OC)OC ZINC000040832283 169006120 /nfs/dbraw/zinc/00/61/20/169006120.db2.gz WGKFGYXNJCBWHH-QMMMGPOBSA-N 1 0 218.297 0.239 10 0 BCAERO CCCC[C@H]([NH3+])C(=O)N(CCC)CC(=O)OC ZINC000037813086 169006268 /nfs/dbraw/zinc/00/62/68/169006268.db2.gz TZDYVHDNRQDAGN-JTQLQIEISA-N 1 0 244.335 0.916 10 0 BCAERO OC[C@@H]([NH2+]C[C@H]1COCCO1)c1ccccc1 ZINC000353351996 183109046 /nfs/dbraw/zinc/10/90/46/183109046.db2.gz VUHDGOCDHXVJDE-QWHCGFSZSA-N 1 0 237.299 0.725 10 0 BCAERO CCCC[C@H](C[NH3+])NC(=O)[C@@H](C)COC ZINC000162804919 169002135 /nfs/dbraw/zinc/00/21/35/169002135.db2.gz VSSGHQQCZTYHRF-VHSXEESVSA-N 1 0 216.325 0.903 10 0 BCAERO OC[C@H](Cc1ccccc1)[NH2+]C1COC1 ZINC000082488724 183138717 /nfs/dbraw/zinc/13/87/17/183138717.db2.gz NUMSDZLLLPTSDH-NSHDSACASA-N 1 0 207.273 0.578 10 0 BCAERO OC[C@H](O)C[NH2+]Cc1c[nH]c2ccccc12 ZINC000083350413 183142868 /nfs/dbraw/zinc/14/28/68/183142868.db2.gz VVHDUHNHIARETF-SNVBAGLBSA-N 1 0 220.272 0.611 10 0 BCAERO CCCN(C(=O)[C@@H]1C[C@@H](O)C[NH2+]1)C1CC1 ZINC000037097383 169044804 /nfs/dbraw/zinc/04/48/04/169044804.db2.gz MFUBGWINNVQAMR-ZJUUUORDSA-N 1 0 212.293 0.110 10 0 BCAERO OC[C@H]1CC[N@H+](C[C@@H]2COC3(CCCC3)O2)C1 ZINC000051887535 183152665 /nfs/dbraw/zinc/15/26/65/183152665.db2.gz SHEGRAPKZYGCJW-NWDGAFQWSA-N 1 0 241.331 0.986 10 0 BCAERO CCCN(C(=O)c1cn[nH]c1)[C@H]1CC[NH2+]C1 ZINC000037469906 169048220 /nfs/dbraw/zinc/04/82/20/169048220.db2.gz NRLZVRASBFDAFL-JTQLQIEISA-N 1 0 222.292 0.624 10 0 BCAERO O[C@@H]1CN(Cc2ccccc2)C[C@@H]2[NH2+]CC[C@H]21 ZINC000083331793 183205620 /nfs/dbraw/zinc/20/56/20/183205620.db2.gz SGNZBLMJLIIMTI-HZSPNIEDSA-N 1 0 232.327 0.841 10 0 BCAERO O[C@@H]1CCCC[C@H]1[N@@H+]1CC[C@@H](c2nnc[nH]2)C1 ZINC000333748247 183190212 /nfs/dbraw/zinc/19/02/12/183190212.db2.gz NHOIOTWKWUMZDR-GMTAPVOTSA-N 1 0 236.319 0.898 10 0 BCAERO O[C@@H]1CCCC[C@H]1[NH2+]CCN1CCOCC1 ZINC000037490722 183191019 /nfs/dbraw/zinc/19/10/19/183191019.db2.gz UYCBDOWSNMVREL-VXGBXAGGSA-N 1 0 228.336 0.212 10 0 BCAERO CCCN(CC(=O)OC)C(=O)[C@H]1CCCC[NH2+]1 ZINC000037813024 169100876 /nfs/dbraw/zinc/10/08/76/169100876.db2.gz LHSAHLXULWFBPM-SNVBAGLBSA-N 1 0 242.319 0.540 10 0 BCAERO O[C@H]1CCCC[C@@H]1[NH2+]CCN1CCCC1 ZINC000051770044 183231700 /nfs/dbraw/zinc/23/17/00/183231700.db2.gz HCMUPOLEXSMXJK-RYUDHWBXSA-N 1 0 212.337 0.975 10 0 BCAERO CCCN(CC(=O)NC)C(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000091544183 169094443 /nfs/dbraw/zinc/09/44/43/169094443.db2.gz QYLLYJVZQINHTN-ZJUUUORDSA-N 1 0 241.335 0.098 10 0 BCAERO CCCN(CC(=O)NC)c1cc(C[NH3+])ccn1 ZINC000042403518 169096255 /nfs/dbraw/zinc/09/62/55/169096255.db2.gz QWGLBYWUTYTEMA-UHFFFAOYSA-N 1 0 236.319 0.503 10 0 BCAERO O[C@H]1COC[C@H]1[NH2+]CCc1ccc(F)cc1 ZINC000037875051 183246479 /nfs/dbraw/zinc/24/64/79/183246479.db2.gz IGXKQVJRDCVXRN-NEPJUHHUSA-N 1 0 225.263 0.718 10 0 BCAERO CCC[NH+](CCC)C[C@@H](N)C(=O)OCC ZINC000045378417 169147595 /nfs/dbraw/zinc/14/75/95/169147595.db2.gz UQXXXYMFRAUDAL-SNVBAGLBSA-N 1 0 216.325 0.999 10 0 BCAERO CCCN(CCN1CCNC1=O)[C@H]1CC[NH2+]C1 ZINC000071330932 169160359 /nfs/dbraw/zinc/16/03/59/169160359.db2.gz YFFZIALMDGBBBI-NSHDSACASA-N 1 0 240.351 0.086 10 0 BCAERO CCCN(CCO)C(=O)[C@@H]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000055133193 169162932 /nfs/dbraw/zinc/16/29/32/169162932.db2.gz GYYJJCWYSMXBHH-IJLUTSLNSA-N 1 0 242.363 0.981 10 0 BCAERO CCCN([C@@H](C)C(=O)N(C)C)[C@H]1CCC[NH2+]C1 ZINC000104344946 169180315 /nfs/dbraw/zinc/18/03/15/169180315.db2.gz KOXYEKFMZMKLTC-RYUDHWBXSA-N 1 0 241.379 0.927 10 0 BCAERO CCCN([C@@H](C)C(=O)NC(C)C)[C@H]1CC[NH2+]C1 ZINC000071332128 169181932 /nfs/dbraw/zinc/18/19/32/169181932.db2.gz ZNCYDNAFTBTJPK-RYUDHWBXSA-N 1 0 241.379 0.973 10 0 BCAERO CCCN(c1ccnc(C(N)=O)c1)[C@@H]1CC[NH2+]C1 ZINC000071332673 169182606 /nfs/dbraw/zinc/18/26/06/169182606.db2.gz GDFJFIXTXMXJDZ-LLVKDONJSA-N 1 0 248.330 0.759 10 0 BCAERO CCC[N@@H+]1CCC[C@@H]([C@@H](C)NCC(N)=O)C1 ZINC000037208381 169195335 /nfs/dbraw/zinc/19/53/35/169195335.db2.gz XIMPYMKTFMSKEU-GHMZBOCLSA-N 1 0 227.352 0.572 10 0 BCAERO CCC[N@@H+]1CCC[C@H]([C@@H](C)N[C@@H](C)C(N)=O)C1 ZINC000035792358 169197773 /nfs/dbraw/zinc/19/77/73/169197773.db2.gz OFKMPAXLSAAIQA-WOPDTQHZSA-N 1 0 241.379 0.960 10 0 BCAERO CCC[NH+]1CCN(C[C@H]2CC[NH2+]C2)CC1 ZINC000051889288 169203879 /nfs/dbraw/zinc/20/38/79/169203879.db2.gz XWTNTLKOHWWCAG-LBPRGKRZSA-N 1 0 211.353 0.624 10 0 BCAERO CCCNC(=O)CNC(=O)C[C@H]1CCCC[NH2+]1 ZINC000036781292 169223619 /nfs/dbraw/zinc/22/36/19/169223619.db2.gz IKTOLKKWYGXLKB-SNVBAGLBSA-N 1 0 241.335 0.161 10 0 BCAERO c1cc(CCOCCN2CC[NH2+]CC2)ccn1 ZINC000077371407 183337957 /nfs/dbraw/zinc/33/79/57/183337957.db2.gz SGSSQBAZNZFXQR-UHFFFAOYSA-N 1 0 235.331 0.546 10 0 BCAERO CCCNC(=O)C[NH2+]C[C@H](O)COC(C)(C)C ZINC000037892100 169226607 /nfs/dbraw/zinc/22/66/07/169226607.db2.gz WWOFNVBAEZDPQM-JTQLQIEISA-N 1 0 246.351 0.278 10 0 BCAERO CCCNC(=O)COC[C@@H]1CCC[NH2+]1 ZINC000031840186 169230981 /nfs/dbraw/zinc/23/09/81/169230981.db2.gz IIJGPCNWFVBOAS-VIFPVBQESA-N 1 0 200.282 0.281 10 0 BCAERO CCCNC(=O)CN(C)C(=O)CC[NH2+]C(C)C ZINC000037799364 169217962 /nfs/dbraw/zinc/21/79/62/169217962.db2.gz MWFONQZTXYZCPL-UHFFFAOYSA-N 1 0 243.351 0.359 10 0 BCAERO CCCNC(=O)CN(C)c1ncccc1C[NH3+] ZINC000042517202 169219336 /nfs/dbraw/zinc/21/93/36/169219336.db2.gz MXBRPZXGJSXGSL-UHFFFAOYSA-N 1 0 236.319 0.503 10 0 BCAERO CCCNC(=O)CN1CCC([NH2+]CCC)CC1 ZINC000037537049 169220373 /nfs/dbraw/zinc/22/03/73/169220373.db2.gz ZNYCFTPUMIUDLY-UHFFFAOYSA-N 1 0 241.379 0.977 10 0 BCAERO CCC[NH2+]CCCn1cnc2c(cnn2C)c1=O ZINC000053533514 169258028 /nfs/dbraw/zinc/25/80/28/169258028.db2.gz GRGHFYDEMLKDGC-UHFFFAOYSA-N 1 0 249.318 0.520 10 0 BCAERO c1cc2c(cc1CC[NH2+]C1COC1)OCCO2 ZINC000113255578 183367440 /nfs/dbraw/zinc/36/74/40/183367440.db2.gz UALWMNCQWVNIFS-UHFFFAOYSA-N 1 0 235.283 0.989 10 0 BCAERO CCC[NH2+]CCNc1nccn(C2CC2)c1=O ZINC000061768446 169260222 /nfs/dbraw/zinc/26/02/22/169260222.db2.gz SWBXMCNVRNFHBU-UHFFFAOYSA-N 1 0 236.319 0.990 10 0 BCAERO c1nnc2ccc(NC[C@H]3CCC[NH2+]C3)nn12 ZINC000073736985 183377291 /nfs/dbraw/zinc/37/72/91/183377291.db2.gz PGMOVRRUCCOHNL-VIFPVBQESA-N 1 0 232.291 0.536 10 0 BCAERO CCCNC(=O)[C@@H](C)[NH2+]C[C@H]1CCCOC1 ZINC000038045774 169242614 /nfs/dbraw/zinc/24/26/14/169242614.db2.gz JPTDMSSIOJYGEC-GHMZBOCLSA-N 1 0 228.336 0.917 10 0 BCAERO c1ccc(-n2nnnc2NC[C@H]2CC[NH2+]C2)cc1 ZINC000133788601 183387496 /nfs/dbraw/zinc/38/74/96/183387496.db2.gz TYORJVUEVXHCDH-JTQLQIEISA-N 1 0 244.302 0.684 10 0 BCAERO c1ccc(-n2nnnc2O[C@H]2CC[NH2+]C2)cc1 ZINC000051868454 183388114 /nfs/dbraw/zinc/38/81/14/183388114.db2.gz RGOWEOUCKHZYHN-JTQLQIEISA-N 1 0 231.259 0.403 10 0 BCAERO CCC[NH2+][C@H](CCn1nc(C)nc1C)C(N)=O ZINC000062536947 169289202 /nfs/dbraw/zinc/28/92/02/169289202.db2.gz PBUVDXZYGKYTHD-SNVBAGLBSA-N 1 0 239.323 0.139 10 0 BCAERO CCC[NH2+]C[C@H]1CCN(Cc2nncn2C)C1 ZINC000053034734 169264423 /nfs/dbraw/zinc/26/44/23/169264423.db2.gz SDRJPMSBUBMCMR-LLVKDONJSA-N 1 0 237.351 0.637 10 0 BCAERO CCC[NH2+][C@@H](CCOC[C@H]1CCOC1)C(N)=O ZINC000062542028 169277694 /nfs/dbraw/zinc/27/76/94/169277694.db2.gz XIPNWIISYTXFNY-QWRGUYRKSA-N 1 0 244.335 0.283 10 0 BCAERO CCC[NH2+][C@@H]1CCOC[C@@H]1S(C)(=O)=O ZINC000054930632 169283002 /nfs/dbraw/zinc/28/30/02/169283002.db2.gz CSOZMUFOHWXPNB-BDAKNGLRSA-N 1 0 221.322 0.188 10 0 BCAERO CCC[NH2+][C@@H]1CCN(c2cnn(C)c2)C1 ZINC000035737978 169283118 /nfs/dbraw/zinc/28/31/18/169283118.db2.gz OTQJHXSPYCFJGY-SNVBAGLBSA-N 1 0 208.309 0.998 10 0 BCAERO CCCOCC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000116782921 169303178 /nfs/dbraw/zinc/30/31/78/169303178.db2.gz WEVYKDSLGWQPEI-NSHDSACASA-N 1 0 244.335 0.202 10 0 BCAERO CCCOCCOC(=O)[C@@H](C)N1CC[NH2+]CC1 ZINC000104250008 169308758 /nfs/dbraw/zinc/30/87/58/169308758.db2.gz USKGNIXZIPBYFL-LLVKDONJSA-N 1 0 244.335 0.250 10 0 BCAERO CCC[NH2+][C@H]1CCOC[C@H]1S(C)(=O)=O ZINC000054930635 169291915 /nfs/dbraw/zinc/29/19/15/169291915.db2.gz CSOZMUFOHWXPNB-DTWKUNHWSA-N 1 0 221.322 0.188 10 0 BCAERO CCC[NH2+][C@H]1CCN(C[C@@H]2COCCO2)C1=O ZINC000049648898 169292121 /nfs/dbraw/zinc/29/21/21/169292121.db2.gz FKFAAYSMKRGYJF-MNOVXSKESA-N 1 0 242.319 0.002 10 0 BCAERO CCCS(=O)(=O)NCC[C@@H]1CCCC[NH2+]1 ZINC000019489124 169332879 /nfs/dbraw/zinc/33/28/79/169332879.db2.gz YTGHESCBYZUNDE-JTQLQIEISA-N 1 0 234.365 0.848 10 0 BCAERO CCCS(=O)(=O)N[C@@H]1CC[N@H+](CC)C1 ZINC000308338571 169333573 /nfs/dbraw/zinc/33/35/73/169333573.db2.gz VLBMJMMSSUQOPP-SECBINFHSA-N 1 0 220.338 0.410 10 0 BCAERO CCC[C@@H](C)NC(=O)Cn1ccnc1C[NH2+]C ZINC000051004349 169368277 /nfs/dbraw/zinc/36/82/77/169368277.db2.gz BEABKFSGKSLKND-SNVBAGLBSA-N 1 0 238.335 0.907 10 0 BCAERO CCC[C@@H](C)NC(=O)[C@@H](C)[NH2+][C@@H](C)C(=O)NC ZINC000042563021 169368842 /nfs/dbraw/zinc/36/88/42/169368842.db2.gz OCGASEBPQIFUSI-KXUCPTDWSA-N 1 0 243.351 0.404 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)N1CCC[C@@H](COC)C1 ZINC000225441687 169387922 /nfs/dbraw/zinc/38/79/22/169387922.db2.gz JEYHDMZJUWLVCH-GHMZBOCLSA-N 1 0 228.336 0.999 10 0 BCAERO CCC[C@@H](CCO)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000182386717 169382003 /nfs/dbraw/zinc/38/20/03/169382003.db2.gz GAOGEYRBXAGMHG-WDEREUQCSA-N 1 0 228.336 0.653 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)N(CCOC)CCOC ZINC000036873437 169388303 /nfs/dbraw/zinc/38/83/03/169388303.db2.gz IKNKKWMPHBTQAM-SNVBAGLBSA-N 1 0 232.324 0.235 10 0 BCAERO CCC[C@@H](C[NH3+])N1CCN(C(=O)NCC)CC1 ZINC000104071028 169383512 /nfs/dbraw/zinc/38/35/12/169383512.db2.gz RZRWXACKWJHCLE-NSHDSACASA-N 1 0 242.367 0.461 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)N(C)C1CCOCC1 ZINC000036873457 169386382 /nfs/dbraw/zinc/38/63/82/169386382.db2.gz ODGHBYFYTLJMHM-SNVBAGLBSA-N 1 0 214.309 0.751 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)N(C)CCCC(=O)OC ZINC000037813219 169386637 /nfs/dbraw/zinc/38/66/37/169386637.db2.gz QYFRAWGWZBWMAT-SECBINFHSA-N 1 0 230.308 0.525 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)NC[C@@H](C)C(=O)OCC ZINC000236951933 169389530 /nfs/dbraw/zinc/38/95/30/169389530.db2.gz XUSBPJSCXPNLAF-RKDXNWHRSA-N 1 0 230.308 0.429 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)NC[C@H]1CCCO1 ZINC000036872955 169389883 /nfs/dbraw/zinc/38/98/83/169389883.db2.gz PQSNDSWXTYIWGW-RKDXNWHRSA-N 1 0 200.282 0.409 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)N1CCN(C(=O)OC)CC1 ZINC000038101838 169388467 /nfs/dbraw/zinc/38/84/67/169388467.db2.gz RMVZLDWRSSWNLT-SECBINFHSA-N 1 0 243.307 0.024 10 0 BCAERO CCO[C@H]1C[C@H]1C(=O)NC1(C[NH3+])CCCC1 ZINC000179166761 134317852 /nfs/dbraw/zinc/31/78/52/134317852.db2.gz MIFANDNBDRWVJC-ZJUUUORDSA-N 1 0 226.320 0.799 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)N[C@H](C)CN1CCCC1=O ZINC000037769294 169391006 /nfs/dbraw/zinc/39/10/06/169391006.db2.gz IYICGZAXNDFLAU-NXEZZACHSA-N 1 0 241.335 0.241 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)N[C@@H](C)CCOC ZINC000081712384 169391224 /nfs/dbraw/zinc/39/12/24/169391224.db2.gz AHBIPFWQZSCQIS-DTWKUNHWSA-N 1 0 202.298 0.655 10 0 BCAERO OC[C@H]1C[C@H](O)C[N@@H+]1CCC1CCCC1 ZINC000179180805 134318214 /nfs/dbraw/zinc/31/82/14/134318214.db2.gz LDMMOTHPJQPJIS-NEPJUHHUSA-N 1 0 213.321 0.994 10 0 BCAERO C[NH2+]C[C@H]1C[C@@H](F)CN1Cc1nccn1C ZINC000396458365 259600635 /nfs/dbraw/zinc/60/06/35/259600635.db2.gz HFNATPOJGSXDFA-NXEZZACHSA-N 1 0 226.299 0.552 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N1CCO[C@@H](C)C1 ZINC000036872616 169500768 /nfs/dbraw/zinc/50/07/68/169500768.db2.gz HVXGXZAATBBIGG-IUCAKERBSA-N 1 0 200.282 0.361 10 0 BCAERO CC(C)(C)OC[C@H](O)C[NH2+]CC(=O)NC1CC1 ZINC000037892490 166684918 /nfs/dbraw/zinc/68/49/18/166684918.db2.gz HCPRBAFUBSDIMC-SNVBAGLBSA-N 1 0 244.335 0.031 10 0 BCAERO CCCc1noc([C@@H](C)N2CC[NH2+]CC2)n1 ZINC000051640404 169604662 /nfs/dbraw/zinc/60/46/62/169604662.db2.gz YLURQNDLAXOXJE-SECBINFHSA-N 1 0 224.308 0.988 10 0 BCAERO CNC(=O)[C@H]1CCC[N@H+](CC(C)(C)O)C1 ZINC000225773967 134357417 /nfs/dbraw/zinc/35/74/17/134357417.db2.gz RBUPRIAWQOURKR-VIFPVBQESA-N 1 0 214.309 0.215 10 0 BCAERO CCCn1nnnc1CN1CCC([NH3+])CC1 ZINC000036754475 169629156 /nfs/dbraw/zinc/62/91/56/169629156.db2.gz BMWRBEUPITVMGB-UHFFFAOYSA-N 1 0 224.312 0.006 10 0 BCAERO CCN(C(=O)[C@H]1CCCCO1)[C@@H]1CC[NH2+]C1 ZINC000050959915 169653536 /nfs/dbraw/zinc/65/35/36/169653536.db2.gz ABASJQNPMIUSPV-GHMZBOCLSA-N 1 0 226.320 0.766 10 0 BCAERO C[C@H]([NH2+][C@@H]1CCCC[C@H]1O)c1nncn1C ZINC000226229115 134361700 /nfs/dbraw/zinc/36/17/00/134361700.db2.gz XZGITMNIJVCTIY-IVZWLZJFSA-N 1 0 224.308 0.769 10 0 BCAERO Cc1c(CNC(=O)[C@@H]2CC[C@@H]([NH3+])C2)cnn1C ZINC000226413681 134365902 /nfs/dbraw/zinc/36/59/02/134365902.db2.gz HWTULIQBYXNOMQ-MWLCHTKSSA-N 1 0 236.319 0.472 10 0 BCAERO Cc1c(CNC(=O)[C@H]2CCC[NH2+]C2)cnn1C ZINC000226414797 134365939 /nfs/dbraw/zinc/36/59/39/134365939.db2.gz HFRIMHBIOFFDKL-JTQLQIEISA-N 1 0 236.319 0.344 10 0 BCAERO C[C@H](C[S@@](C)=O)NC(=O)C[C@@H]1CCC[NH2+]1 ZINC000229004922 259637809 /nfs/dbraw/zinc/63/78/09/259637809.db2.gz FDIIFXIOKLXFNL-CEFVDNRUSA-N 1 0 232.349 0.012 10 0 BCAERO O=C(N[C@@H]1CC[C@H]2C[C@H]2C1)[C@H]1CC[NH2+]C1 ZINC000647097527 383820742 /nfs/dbraw/zinc/82/07/42/383820742.db2.gz QKZKPJBMUWYSEZ-XWLWVQCSSA-N 1 0 208.305 0.901 10 0 BCAERO Cc1cc(N(C)CCOCC[NH3+])nc(C)n1 ZINC000301016064 383823873 /nfs/dbraw/zinc/82/38/73/383823873.db2.gz IFXYWLFTECKQPQ-UHFFFAOYSA-N 1 0 224.308 0.505 10 0 BCAERO C[C@@H](C(=O)NC1CC1)[N@@H+]1CC[C@@H](CCO)C1 ZINC000227572187 134383291 /nfs/dbraw/zinc/38/32/91/134383291.db2.gz SZSGFKOZJWVXSC-UWVGGRQHSA-N 1 0 226.320 0.358 10 0 BCAERO O=C(C[N@H+]1CC[C@H](CCO)C1)N1CCCCC1 ZINC000227566155 134383356 /nfs/dbraw/zinc/38/33/56/134383356.db2.gz RBZYJQDDIKBXSR-GFCCVEGCSA-N 1 0 240.347 0.703 10 0 BCAERO Cc1nn(C)c(C)c1[C@@H]1[C@@H]([NH3+])CC(=O)N1C ZINC000069797969 383845739 /nfs/dbraw/zinc/84/57/39/383845739.db2.gz JSRKDMFDGDISFS-KWQFWETISA-N 1 0 222.292 0.267 10 0 BCAERO COC(=O)CCN1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000070078110 383859742 /nfs/dbraw/zinc/85/97/42/383859742.db2.gz APEQNUQKXYEKRF-DTORHVGOSA-N 1 0 200.282 0.232 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N(C)C[C@H](C)C(=O)OC ZINC000037823523 383866161 /nfs/dbraw/zinc/86/61/61/383866161.db2.gz VQHYGNDFSUSVFZ-IUCAKERBSA-N 1 0 230.308 0.381 10 0 BCAERO COc1ncc(Cl)c(N[C@H](C)C[NH3+])n1 ZINC000087799188 383866782 /nfs/dbraw/zinc/86/67/82/383866782.db2.gz LHAJTQZKMIZJBP-RXMQYKEDSA-N 1 0 216.672 0.898 10 0 BCAERO Cc1cnc(C)c(N(C)CCOCC[NH3+])n1 ZINC000301048188 383877852 /nfs/dbraw/zinc/87/78/52/383877852.db2.gz QHACZYBWIXZUFG-UHFFFAOYSA-N 1 0 224.308 0.505 10 0 BCAERO C[C@H]([NH2+][C@@H](C)c1cccs1)C(=O)NC(N)=O ZINC000035138586 383835249 /nfs/dbraw/zinc/83/52/49/383835249.db2.gz QGGWBRUYZIDELV-BQBZGAKWSA-N 1 0 241.316 0.982 10 0 BCAERO C[C@@H]1CC[C@@H](C)N1C(=O)[C@H]1C[NH2+]CCOC1 ZINC000643735603 383911412 /nfs/dbraw/zinc/91/14/12/383911412.db2.gz KCKHMDYAZNWFSH-MXWKQRLJSA-N 1 0 226.320 0.622 10 0 BCAERO C[C@@H]1CC[C@@H](C)N1C(=O)[C@@H]1C[NH2+]CCOC1 ZINC000643735602 383912403 /nfs/dbraw/zinc/91/24/03/383912403.db2.gz KCKHMDYAZNWFSH-GMTAPVOTSA-N 1 0 226.320 0.622 10 0 BCAERO Cc1nnc(CN2CC[NH+](C(C)C)CC2)n1C ZINC000052563827 134385018 /nfs/dbraw/zinc/38/50/18/134385018.db2.gz GCHROXHTIYUFSO-UHFFFAOYSA-N 1 0 237.351 0.650 10 0 BCAERO CC(C)CCNC(=O)[C@H](C)N1C[C@H]([NH3+])[C@@H](C)C1 ZINC000300047177 383905342 /nfs/dbraw/zinc/90/53/42/383905342.db2.gz CYOZMRFXGOTSJE-SRVKXCTJSA-N 1 0 241.379 0.816 10 0 BCAERO [NH3+][C@H]1CCN(C[C@H](O)c2ccccc2)C1 ZINC000050243955 383985113 /nfs/dbraw/zinc/98/51/13/383985113.db2.gz TXASBRMCGJWJJO-RYUDHWBXSA-N 1 0 206.289 0.753 10 0 BCAERO COC[C@@]1(C(=O)NC(C)C)CCC[NH2+]1 ZINC000643614262 383994176 /nfs/dbraw/zinc/99/41/76/383994176.db2.gz PLLYAUNKIXUCOB-SNVBAGLBSA-N 1 0 200.282 0.280 10 0 BCAERO C[C@H](C[NH2+]Cc1ncc[nH]1)N1CCOCC1 ZINC000067671063 383937388 /nfs/dbraw/zinc/93/73/88/383937388.db2.gz CNGPBLLAMYOJRZ-SNVBAGLBSA-N 1 0 224.308 0.220 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N[C@@H](CC)COC ZINC000070626274 383945677 /nfs/dbraw/zinc/94/56/77/383945677.db2.gz YOLWIRCXUWCQFS-IUCAKERBSA-N 1 0 202.298 0.655 10 0 BCAERO O=S1(=O)CCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000068590513 384001313 /nfs/dbraw/zinc/00/13/13/384001313.db2.gz CLNYGCMPBRMPFA-DTWKUNHWSA-N 1 0 203.307 0.563 10 0 BCAERO CCCCN(C)C(=O)[C@@H]1C[NH2+]CCOC1 ZINC000643615193 384018278 /nfs/dbraw/zinc/01/82/78/384018278.db2.gz FCRASQLRRJYZBW-SNVBAGLBSA-N 1 0 214.309 0.481 10 0 BCAERO COC[C@]1(C(=O)NCC(C)C)CCC[NH2+]1 ZINC000643615663 384005590 /nfs/dbraw/zinc/00/55/90/384005590.db2.gz UCAODPBVTRRFLJ-NSHDSACASA-N 1 0 214.309 0.527 10 0 BCAERO CCNC(=O)C1(CCOC)CC[NH2+]CC1 ZINC000643615832 384007604 /nfs/dbraw/zinc/00/76/04/384007604.db2.gz YUYWDMRVFCLYLA-UHFFFAOYSA-N 1 0 214.309 0.529 10 0 BCAERO CO[C@H]1CCC[C@@H]1NC(=O)C(C)(C)[NH3+] ZINC000050374003 384009473 /nfs/dbraw/zinc/00/94/73/384009473.db2.gz ZHURVGNKQBNDFM-YUMQZZPRSA-N 1 0 200.282 0.407 10 0 BCAERO Cc1cn[nH]c1C[NH2+]C[C@H]1CCC[C@H]1O ZINC000289488091 384012308 /nfs/dbraw/zinc/01/23/08/384012308.db2.gz KSAVARLEAPTIIR-MWLCHTKSSA-N 1 0 209.293 0.969 10 0 BCAERO COC[C@]1(C(=O)N[C@H](C)CCCO)CCC[NH2+]1 ZINC000643704278 384086042 /nfs/dbraw/zinc/08/60/42/384086042.db2.gz OJQDDRIUQUKLJD-PWSUYJOCSA-N 1 0 244.335 0.032 10 0 BCAERO CC(C)N1CC[C@H](NC[C@H]2CCC[NH2+]C2)C1=O ZINC000569455975 384061143 /nfs/dbraw/zinc/06/11/43/384061143.db2.gz FRBCNMDBRJBVEB-RYUDHWBXSA-N 1 0 239.363 0.585 10 0 BCAERO CC[C@H]([NH2+]C[C@@H]1CN(C)CCO1)[C@H]1CCOC1 ZINC000310161001 384073840 /nfs/dbraw/zinc/07/38/40/384073840.db2.gz LZVODWRDTNLSRK-XQQFMLRXSA-N 1 0 242.363 0.722 10 0 BCAERO CC[C@H]([NH2+]C[C@H]1CN(C)CCO1)[C@@H]1CCOC1 ZINC000310160998 384073848 /nfs/dbraw/zinc/07/38/48/384073848.db2.gz LZVODWRDTNLSRK-AGIUHOORSA-N 1 0 242.363 0.722 10 0 BCAERO [NH3+][C@H]1CCCN(Cc2ccccn2)C1=O ZINC000070061674 384075910 /nfs/dbraw/zinc/07/59/10/384075910.db2.gz FQNUKDRWJZNIRA-JTQLQIEISA-N 1 0 205.261 0.531 10 0 BCAERO CC1(C)CCC[C@H]1NC(=O)[C@H]1C[NH2+]CCOC1 ZINC000643704551 384096325 /nfs/dbraw/zinc/09/63/25/384096325.db2.gz VHBWTOGFZRTQJN-WDEREUQCSA-N 1 0 240.347 0.917 10 0 BCAERO CC1(C)CCC[C@H]1NC(=O)[C@@H]1C[NH2+]CCOC1 ZINC000643704548 384096662 /nfs/dbraw/zinc/09/66/62/384096662.db2.gz VHBWTOGFZRTQJN-GHMZBOCLSA-N 1 0 240.347 0.917 10 0 BCAERO CC(C)(C)[C@@H](O)Cn1cc(C(C)(C)[NH3+])nn1 ZINC000304240499 384099417 /nfs/dbraw/zinc/09/94/17/384099417.db2.gz NRFUZIVZZGYEKP-VIFPVBQESA-N 1 0 226.324 0.879 10 0 BCAERO [NH3+]C[C@@]1(O)C(c2ccccc2)=CC=C[C@@H]1O ZINC000039097596 384103605 /nfs/dbraw/zinc/10/36/05/384103605.db2.gz KFSUPIZWFZNOSV-QWHCGFSZSA-N 1 0 217.268 0.691 10 0 BCAERO C[C@@H]1CC[C@@H](C)N(C(=O)[C@H]2C[NH2+]CCOC2)C1 ZINC000643706366 384127316 /nfs/dbraw/zinc/12/73/16/384127316.db2.gz USAFBSDXRCDBOP-UTUOFQBUSA-N 1 0 240.347 0.869 10 0 BCAERO C[C@@H]1CN(C(=O)[C@H]2C[NH2+]CCOC2)C[C@H]1C ZINC000643705892 384127677 /nfs/dbraw/zinc/12/76/77/384127677.db2.gz DTANBHLGWFGMDX-MXWKQRLJSA-N 1 0 226.320 0.337 10 0 BCAERO Cn1cc([C@@H]2CC[N@H+](CC(C)(C)O)C2)cn1 ZINC000116310019 384127841 /nfs/dbraw/zinc/12/78/41/384127841.db2.gz WYADFIHRAQIWIR-SNVBAGLBSA-N 1 0 223.320 0.980 10 0 BCAERO C[C@@H]1CC[C@@H](C)N(C(=O)[C@@H]2C[NH2+]CCOC2)C1 ZINC000643706365 384128177 /nfs/dbraw/zinc/12/81/77/384128177.db2.gz USAFBSDXRCDBOP-IJLUTSLNSA-N 1 0 240.347 0.869 10 0 BCAERO COC[C@]1(C(=O)N2CCO[C@H](C)C2)CCC[NH2+]1 ZINC000643624909 384130466 /nfs/dbraw/zinc/13/04/66/384130466.db2.gz GZEVKDXEMAZOOR-PWSUYJOCSA-N 1 0 242.319 0.002 10 0 BCAERO CC(C)(C)CS(=O)(=O)N1CCC[C@H]1C[NH3+] ZINC000080186203 384161011 /nfs/dbraw/zinc/16/10/11/384161011.db2.gz YWTWLZRDFPTBSV-VIFPVBQESA-N 1 0 234.365 0.785 10 0 BCAERO CC(C)[C@@H](C)CNC(=O)[C@@H]1C[NH2+]CCOC1 ZINC000643710031 384169043 /nfs/dbraw/zinc/16/90/43/384169043.db2.gz RLULIZQCHNBFPT-WDEREUQCSA-N 1 0 228.336 0.631 10 0 BCAERO CC(C)(C)[C@@H](O)Cn1cc(C[NH2+]C2CC2)nn1 ZINC000302412948 384169144 /nfs/dbraw/zinc/16/91/44/384169144.db2.gz PVGIZJRJQCYOOM-NSHDSACASA-N 1 0 238.335 0.937 10 0 BCAERO CC(C)[C@H]([NH3+])C(=O)N[C@H](C)[C@H](C)CO ZINC000163239301 384184912 /nfs/dbraw/zinc/18/49/12/384184912.db2.gz QQRIMANUFWUELM-HLTSFMKQSA-N 1 0 202.298 0.103 10 0 BCAERO CCC[C@@](C)([NH3+])C(=O)N[C@H](CC)CCO ZINC000163261529 384201511 /nfs/dbraw/zinc/20/15/11/384201511.db2.gz RANSFRLBBZBDJT-MWLCHTKSSA-N 1 0 216.325 0.781 10 0 BCAERO CCC[C@](C)([NH3+])C(=O)NC[C@@H](O)C(C)C ZINC000163249438 384188843 /nfs/dbraw/zinc/18/88/43/384188843.db2.gz PXFVJMREKVRKSU-KOLCDFICSA-N 1 0 216.325 0.637 10 0 BCAERO CCC[C@](C)([NH3+])C(=O)N[C@H](CC)CCO ZINC000163261398 384195539 /nfs/dbraw/zinc/19/55/39/384195539.db2.gz RANSFRLBBZBDJT-KOLCDFICSA-N 1 0 216.325 0.781 10 0 BCAERO COC[C@]1(C(=O)NCC2(C)CC2)CCC[NH2+]1 ZINC000643713577 384231924 /nfs/dbraw/zinc/23/19/24/384231924.db2.gz XTZTYTSCQZTLNR-LBPRGKRZSA-N 1 0 226.320 0.671 10 0 BCAERO CCOCCCCNC(=O)[C@@H]1C[NH2+]CCOC1 ZINC000643637604 384233055 /nfs/dbraw/zinc/23/30/55/384233055.db2.gz HIUKASBCDUTVHQ-LLVKDONJSA-N 1 0 244.335 0.155 10 0 BCAERO CCOCCCCNC(=O)[C@H]1C[NH2+]CCOC1 ZINC000643637605 384235052 /nfs/dbraw/zinc/23/50/52/384235052.db2.gz HIUKASBCDUTVHQ-NSHDSACASA-N 1 0 244.335 0.155 10 0 BCAERO Cc1c(C[NH2+][C@H]2CCC(=O)N(C)C2)cnn1C ZINC000093650322 384258004 /nfs/dbraw/zinc/25/80/04/384258004.db2.gz JTGUKBKUAPYFJP-NSHDSACASA-N 1 0 236.319 0.439 10 0 BCAERO Cc1c(C[NH2+][C@@H]2CCC(=O)N(C)C2)cnn1C ZINC000093650321 384258549 /nfs/dbraw/zinc/25/85/49/384258549.db2.gz JTGUKBKUAPYFJP-LLVKDONJSA-N 1 0 236.319 0.439 10 0 BCAERO C[C@H](C[NH3+])CNc1ncnc2nc[nH]c21 ZINC000083387648 384294853 /nfs/dbraw/zinc/29/48/53/384294853.db2.gz GMBOCICAOLFYMV-ZCFIWIBFSA-N 1 0 206.253 0.360 10 0 BCAERO CC[C@@H](O)C[NH+]1CCN(CCCOC)CC1 ZINC000174086475 384300118 /nfs/dbraw/zinc/30/01/18/384300118.db2.gz VJGBSYDJBSWSEL-GFCCVEGCSA-N 1 0 230.352 0.411 10 0 BCAERO O=S(=O)(c1cc(Cl)ncn1)[C@@H]1CC[NH2+]C1 ZINC000095070402 384336403 /nfs/dbraw/zinc/33/64/03/384336403.db2.gz IOBUIDQIJCMOLP-ZCFIWIBFSA-N 1 0 247.707 0.266 10 0 BCAERO O=[S@](c1cc(Cl)ncn1)[C@@H]1CCC[NH2+]C1 ZINC000095070420 384337491 /nfs/dbraw/zinc/33/74/91/384337491.db2.gz AANGGUUVPVDDDB-KWKYVRJSSA-N 1 0 245.735 0.990 10 0 BCAERO O=[S@@](c1cc(Cl)ncn1)[C@@H]1CCC[NH2+]C1 ZINC000095070421 384337532 /nfs/dbraw/zinc/33/75/32/384337532.db2.gz AANGGUUVPVDDDB-MLXNANBUSA-N 1 0 245.735 0.990 10 0 BCAERO CN(C[C@@H]1CC[NH2+]C1)c1ncccc1O ZINC000095071232 384338161 /nfs/dbraw/zinc/33/81/61/384338161.db2.gz QDCGAOMJLGBEFY-SECBINFHSA-N 1 0 207.277 0.833 10 0 BCAERO CN(CC(=O)c1cnccn1)C[C@@H]1CCC[NH2+]C1 ZINC000095071140 384339049 /nfs/dbraw/zinc/33/90/49/384339049.db2.gz LSMJAGZMHCWLPG-LLVKDONJSA-N 1 0 248.330 0.591 10 0 BCAERO COc1nccnc1CO[C@H]1CCC[NH2+]C1 ZINC000095071640 384340925 /nfs/dbraw/zinc/34/09/25/384340925.db2.gz AHPJUNKRQCXOAX-VIFPVBQESA-N 1 0 223.276 0.754 10 0 BCAERO O=[S@](C[C@@H]1CC[NH2+]C1)c1ncc(F)cn1 ZINC000095072011 384341265 /nfs/dbraw/zinc/34/12/65/384341265.db2.gz KOUCXPGLWFJUEZ-MLXNANBUSA-N 1 0 229.280 0.333 10 0 BCAERO COc1nccnc1CNC[C@@H]1CCC[NH2+]C1 ZINC000095071633 384341351 /nfs/dbraw/zinc/34/13/51/384341351.db2.gz MXUKPGFFXAXRFQ-SNVBAGLBSA-N 1 0 236.319 0.574 10 0 BCAERO CSc1nccnc1CN[C@H]1CC[NH2+]C1 ZINC000095071904 384341483 /nfs/dbraw/zinc/34/14/83/384341483.db2.gz GGZOBUWFBYRPIF-QMMMGPOBSA-N 1 0 224.333 0.650 10 0 BCAERO COc1nccnc1CNC[C@@H]1CC[NH2+]C1 ZINC000095071635 384341725 /nfs/dbraw/zinc/34/17/25/384341725.db2.gz UJDSRDDWLPEXCZ-SECBINFHSA-N 1 0 222.292 0.184 10 0 BCAERO [NH3+]C[C@H]1CCCN1CC(=O)c1ccco1 ZINC000095072616 384342850 /nfs/dbraw/zinc/34/28/50/384342850.db2.gz YHIIQULZQQYLFD-SECBINFHSA-N 1 0 208.261 0.885 10 0 BCAERO [NH3+]C[C@@H]1CCCN1c1nc2cccnc2[nH]1 ZINC000095072611 384342910 /nfs/dbraw/zinc/34/29/10/384342910.db2.gz XGPKRBQYTVHHTC-QMMMGPOBSA-N 1 0 217.276 0.837 10 0 BCAERO [NH3+]C[C@H]1CCN(c2nccc(Cl)n2)C1 ZINC000095072659 384343006 /nfs/dbraw/zinc/34/30/06/384343006.db2.gz QDCIXPHAYACTFB-SSDOTTSWSA-N 1 0 212.684 0.915 10 0 BCAERO [NH3+]C[C@@H]1CCN(c2nc3cccnc3[nH]2)C1 ZINC000095072676 384343164 /nfs/dbraw/zinc/34/31/64/384343164.db2.gz VLEHRQNZJFJRKQ-QMMMGPOBSA-N 1 0 217.276 0.695 10 0 BCAERO [NH3+]C[C@H]1CCCN(CC(=O)c2cnccn2)C1 ZINC000095072549 384343527 /nfs/dbraw/zinc/34/35/27/384343527.db2.gz ZFUZVZAKIDOVNK-SNVBAGLBSA-N 1 0 234.303 0.330 10 0 BCAERO [NH3+]C[C@@H]1CCCN1CC(=O)c1ccc[nH]1 ZINC000095072615 384343581 /nfs/dbraw/zinc/34/35/81/384343581.db2.gz MKIMPCAGWXSQLG-VIFPVBQESA-N 1 0 207.277 0.621 10 0 BCAERO [NH3+]C[C@H]1CCCN(CC(=O)c2ccccn2)C1 ZINC000095072547 384344001 /nfs/dbraw/zinc/34/40/01/384344001.db2.gz DLZLRPMRXUPHMM-LLVKDONJSA-N 1 0 233.315 0.935 10 0 BCAERO O=[S@@](c1nccs1)[C@H]1CC[NH2+]C1 ZINC000095073018 384344850 /nfs/dbraw/zinc/34/48/50/384344850.db2.gz FJMGQZGQTROLJN-QTTZVWFDSA-N 1 0 202.304 0.613 10 0 BCAERO C[C@H]1C[C@@H](O)C[N@H+](CCn2cccn2)C1 ZINC000335585662 384344893 /nfs/dbraw/zinc/34/48/93/384344893.db2.gz COOXTEXYAJJNTK-WDEREUQCSA-N 1 0 209.293 0.586 10 0 BCAERO O=S(=O)(c1cnccn1)[C@@H]1CCC[NH2+]C1 ZINC000095073057 384345239 /nfs/dbraw/zinc/34/52/39/384345239.db2.gz TVVCXIGPUWRANU-MRVPVSSYSA-N 1 0 227.289 0.002 10 0 BCAERO O=S(=O)(Cc1cncs1)[C@@H]1CC[NH2+]C1 ZINC000095073132 384345308 /nfs/dbraw/zinc/34/53/08/384345308.db2.gz GUCOXOLYLDBAHY-MRVPVSSYSA-N 1 0 232.330 0.420 10 0 BCAERO O=S(=O)(Cc1cccnc1)C1CC[NH2+]CC1 ZINC000095073100 384345723 /nfs/dbraw/zinc/34/57/23/384345723.db2.gz ADLSKORHWSKZML-UHFFFAOYSA-N 1 0 240.328 0.748 10 0 BCAERO O=C(CNC[C@@H]1CC[NH2+]C1)c1ccccn1 ZINC000095072809 384346308 /nfs/dbraw/zinc/34/63/08/384346308.db2.gz FBIMTBUJKUHRRL-SNVBAGLBSA-N 1 0 219.288 0.463 10 0 BCAERO O=S(=O)(c1nccs1)[C@H]1CCC[NH2+]C1 ZINC000095073062 384346331 /nfs/dbraw/zinc/34/63/31/384346331.db2.gz VTYFTTFXMMHTCT-ZETCQYMHSA-N 1 0 232.330 0.669 10 0 BCAERO O=S(=O)(c1ccncc1)[C@H]1CC[NH2+]C1 ZINC000095073039 384346362 /nfs/dbraw/zinc/34/63/62/384346362.db2.gz BWRGERASZTYFMT-VIFPVBQESA-N 1 0 212.274 0.217 10 0 BCAERO O=C(CNC[C@H]1CCC[NH2+]1)c1ccco1 ZINC000095072782 384346373 /nfs/dbraw/zinc/34/63/73/384346373.db2.gz OQWRUTHHBFJTNG-SECBINFHSA-N 1 0 208.261 0.804 10 0 BCAERO O=S(=O)(Cc1ccccn1)C[C@@H]1CCC[NH2+]1 ZINC000095073189 384347513 /nfs/dbraw/zinc/34/75/13/384347513.db2.gz QTKATWTZQMGQLK-NSHDSACASA-N 1 0 240.328 0.748 10 0 BCAERO O=[S@@](C[C@H]1CCCC[NH2+]1)c1cnccn1 ZINC000095073486 384347567 /nfs/dbraw/zinc/34/75/67/384347567.db2.gz USPYDELWAIMORL-RFAUZJTJSA-N 1 0 225.317 0.726 10 0 BCAERO O=[S@](C[C@H]1CCC[NH2+]1)c1cnccn1 ZINC000095073547 384348077 /nfs/dbraw/zinc/34/80/77/384348077.db2.gz CHCREXINEMTSFA-CLAHSXSESA-N 1 0 211.290 0.336 10 0 BCAERO O=S(=O)(C[C@H]1CCC[NH2+]C1)c1cnccn1 ZINC000095073208 384348100 /nfs/dbraw/zinc/34/81/00/384348100.db2.gz HDPQAXDXUYWXDS-VIFPVBQESA-N 1 0 241.316 0.250 10 0 BCAERO O=[S@@](c1cnccn1)[C@@H]1CCC[NH2+]C1 ZINC000095073383 384348166 /nfs/dbraw/zinc/34/81/66/384348166.db2.gz IYXFCTVNURVDKM-CLAHSXSESA-N 1 0 211.290 0.336 10 0 BCAERO O=S(=O)(Cc1ccncc1)C[C@H]1CCC[NH2+]1 ZINC000095073194 384348574 /nfs/dbraw/zinc/34/85/74/384348574.db2.gz RYCYFCUVEISRGV-LLVKDONJSA-N 1 0 240.328 0.748 10 0 BCAERO O=S(=O)(Cc1cncs1)C[C@@H]1CC[NH2+]C1 ZINC000095073255 384348803 /nfs/dbraw/zinc/34/88/03/384348803.db2.gz PEDHNMCZZCGEAB-MRVPVSSYSA-N 1 0 246.357 0.667 10 0 BCAERO CNS(=O)(=O)Cc1nccn1C(C)C ZINC000095076101 384349884 /nfs/dbraw/zinc/34/98/84/384349884.db2.gz VRDXAABXINGEEO-UHFFFAOYSA-N 1 0 217.294 0.513 10 0 BCAERO O=[S@@](C[C@@H]1CC[NH2+]C1)c1nccs1 ZINC000095073672 384350541 /nfs/dbraw/zinc/35/05/41/384350541.db2.gz PYXZMJGZJPWIGX-FUXBKTLASA-N 1 0 216.331 0.860 10 0 BCAERO C[NH2+][C@H](CCO)C1CN(C(=O)OC(C)(C)C)C1 ZINC000095075732 384350997 /nfs/dbraw/zinc/35/09/97/384350997.db2.gz ZJAYBWRTSPMVGL-SNVBAGLBSA-N 1 0 244.335 0.824 10 0 BCAERO Cc1cnn(CC[N@@H+]2C[C@H](C)C[C@@H](O)C2)c1 ZINC000335586102 384351114 /nfs/dbraw/zinc/35/11/14/384351114.db2.gz KOGHTEWZIGQBGV-ZYHUDNBSSA-N 1 0 223.320 0.894 10 0 BCAERO C[C@@H]1CN(S(=O)(=O)CC2CCC2)C[C@@H]1[NH3+] ZINC000335587079 384351739 /nfs/dbraw/zinc/35/17/39/384351739.db2.gz ROMDAAHTXZZDKY-SCZZXKLOSA-N 1 0 232.349 0.395 10 0 BCAERO Cc1cnn(CC[N@@H+]2C[C@@H](C)C[C@H](O)C2)c1 ZINC000335586100 384352786 /nfs/dbraw/zinc/35/27/86/384352786.db2.gz KOGHTEWZIGQBGV-JQWIXIFHSA-N 1 0 223.320 0.894 10 0 BCAERO [NH3+][C@H]1CCCC[C@H]1NCc1cnccn1 ZINC000095077420 384352939 /nfs/dbraw/zinc/35/29/39/384352939.db2.gz USLRCNKDBAAJRH-WDEREUQCSA-N 1 0 206.293 0.836 10 0 BCAERO C[C@H]1C[C@H](O)C[N@H+](CCc2ccnn2C)C1 ZINC000335590487 384355704 /nfs/dbraw/zinc/35/57/04/384355704.db2.gz OKSBDEKTTTYKOF-JQWIXIFHSA-N 1 0 223.320 0.665 10 0 BCAERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)NCc1ncc[nH]1 ZINC000335593664 384360488 /nfs/dbraw/zinc/36/04/88/384360488.db2.gz JXVWRTWKASDCRA-DTWKUNHWSA-N 1 0 222.292 0.414 10 0 BCAERO CC(C)[C@H]([NH3+])C(=O)N1CCC2(CC(CO)C2)C1 ZINC000095087981 384360622 /nfs/dbraw/zinc/36/06/22/384360622.db2.gz VRLQRQHWSBUILH-AKJDGMEZSA-N 1 0 240.347 0.591 10 0 BCAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NCc1ncc[nH]1 ZINC000335593666 384361058 /nfs/dbraw/zinc/36/10/58/384361058.db2.gz JXVWRTWKASDCRA-IUCAKERBSA-N 1 0 222.292 0.414 10 0 BCAERO C[C@H]1[C@@H](O)CCC[N@@H+]1CC(=O)NC1CCCC1 ZINC000335597232 384362208 /nfs/dbraw/zinc/36/22/08/384362208.db2.gz QTKHZAPZNSKHBW-JQWIXIFHSA-N 1 0 240.347 0.890 10 0 BCAERO C[C@@H]1[C@@H](O)CCC[N@@H+]1CC(=O)N1CCCCC1 ZINC000335595634 384365156 /nfs/dbraw/zinc/36/51/56/384365156.db2.gz FQRSAFGDXHLGFK-NEPJUHHUSA-N 1 0 240.347 0.844 10 0 BCAERO CC[C@@H](NC(=O)[C@@H]1C[NH2+]CCOC1)C(C)C ZINC000643658041 384372443 /nfs/dbraw/zinc/37/24/43/384372443.db2.gz NMKHMSOYYUSSDA-GHMZBOCLSA-N 1 0 228.336 0.773 10 0 BCAERO COC[C@@]1(C(=O)N(C)CC2CC2)CCC[NH2+]1 ZINC000643648877 384325244 /nfs/dbraw/zinc/32/52/44/384325244.db2.gz ZHHGBXIFAMMBAB-GFCCVEGCSA-N 1 0 226.320 0.623 10 0 BCAERO C[C@@H](N[C@H]1CCC[NH2+]C1)c1cnccn1 ZINC000095068255 384329149 /nfs/dbraw/zinc/32/91/49/384329149.db2.gz ZPHCZTCPPNNFLH-ZJUUUORDSA-N 1 0 206.293 0.879 10 0 BCAERO Cc1ccnc(S(=O)(=O)[C@H]2CCC[NH2+]C2)n1 ZINC000095069236 384332375 /nfs/dbraw/zinc/33/23/75/384332375.db2.gz XXNOZVZKUYPPHP-VIFPVBQESA-N 1 0 241.316 0.311 10 0 BCAERO Cc1cc(C)nc([S@](=O)[C@H]2CCC[NH2+]C2)n1 ZINC000095068877 384332847 /nfs/dbraw/zinc/33/28/47/384332847.db2.gz FKAADUISTFEGNT-QFYYESIMSA-N 1 0 239.344 0.953 10 0 BCAERO Cc1ccc([S@@](=O)C[C@@H]2CC[NH2+]C2)nn1 ZINC000095069129 384332880 /nfs/dbraw/zinc/33/28/80/384332880.db2.gz HJXOZCYTXBZQFH-RFAUZJTJSA-N 1 0 225.317 0.502 10 0 BCAERO Cc1cc(C)nc([S@@](=O)[C@H]2CCC[NH2+]C2)n1 ZINC000095068876 384332884 /nfs/dbraw/zinc/33/28/84/384332884.db2.gz FKAADUISTFEGNT-MGPLVRAMSA-N 1 0 239.344 0.953 10 0 BCAERO Cc1ccc([S@](=O)C[C@H]2CCC[NH2+]C2)nn1 ZINC000095069128 384333005 /nfs/dbraw/zinc/33/30/05/384333005.db2.gz ANZNPEYVNFYCAH-QFYYESIMSA-N 1 0 239.344 0.892 10 0 BCAERO Cc1cnc(N2CC[C@@H]([NH3+])C2)nc1Cl ZINC000095069317 384333027 /nfs/dbraw/zinc/33/30/27/384333027.db2.gz DPMDQBVFWTVCDV-SSDOTTSWSA-N 1 0 212.684 0.976 10 0 BCAERO Cc1ccnc([S@@](=O)C[C@@H]2CC[NH2+]C2)n1 ZINC000095069292 384333053 /nfs/dbraw/zinc/33/30/53/384333053.db2.gz MFWCXQNJDGFQHA-RFAUZJTJSA-N 1 0 225.317 0.502 10 0 BCAERO O=[S@@](C[C@H]1CC[NH2+]C1)c1ccc(Cl)nn1 ZINC000095069966 384334810 /nfs/dbraw/zinc/33/48/10/384334810.db2.gz JLABBNKKVXBWSC-NZFNHWASSA-N 1 0 245.735 0.847 10 0 BCAERO O=[S@](c1ccnc(Cl)n1)[C@@H]1CC[NH2+]C1 ZINC000095070092 384334977 /nfs/dbraw/zinc/33/49/77/384334977.db2.gz CFRJWVKBAJWORG-RWBAJPLHSA-N 1 0 231.708 0.600 10 0 BCAERO C[C@H]([NH2+]CC(=O)NC(N)=O)c1cccs1 ZINC000035135169 384401651 /nfs/dbraw/zinc/40/16/51/384401651.db2.gz XTZBCIWEAXOIQB-LURJTMIESA-N 1 0 227.289 0.594 10 0 BCAERO Cc1cc(CN2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)nn1C ZINC000647512571 384409297 /nfs/dbraw/zinc/40/92/97/384409297.db2.gz CALWRMXKAANQGB-DRZSPHRISA-N 1 0 234.347 0.898 10 0 BCAERO CC[C@H](CO)[NH2+]Cc1c(C)nn(C)c1OC ZINC000135054810 384409566 /nfs/dbraw/zinc/40/95/66/384409566.db2.gz NJXBVGRNDJIFHH-SECBINFHSA-N 1 0 227.308 0.598 10 0 BCAERO CC(C)(C)OC(=O)N1CC[NH2+][C@H](CO)CC1 ZINC000095931214 384410571 /nfs/dbraw/zinc/41/05/71/384410571.db2.gz LBFVJWLSDNHZJF-VIFPVBQESA-N 1 0 230.308 0.578 10 0 BCAERO Cc1nn(C)cc1CN[C@@H]1CCC[NH2+][C@@H]1C ZINC000335644203 384415852 /nfs/dbraw/zinc/41/58/52/384415852.db2.gz PIHMBZHSTGQPRA-ZYHUDNBSSA-N 1 0 222.336 0.959 10 0 BCAERO Cn1cc(C[NH2+]C[C@@H]2CCC[C@@H]2O)cn1 ZINC000084226692 384381120 /nfs/dbraw/zinc/38/11/20/384381120.db2.gz OECRKLJGNDNRTK-QWRGUYRKSA-N 1 0 209.293 0.671 10 0 BCAERO C[C@@H]1[NH2+]CCC[C@@H]1Nc1ccc(C(N)=O)nn1 ZINC000229598296 384384095 /nfs/dbraw/zinc/38/40/95/384384095.db2.gz WNLGLZORSVMWGZ-YUMQZZPRSA-N 1 0 235.291 0.128 10 0 BCAERO C[C@@H]1[NH2+][C@@H](c2nc3ccccc3[nH]2)[C@H](O)[C@@H]1O ZINC000035976287 384388671 /nfs/dbraw/zinc/38/86/71/384388671.db2.gz WKDUAKZZRFRSAE-HCPDIIQCSA-N 1 0 233.271 0.318 10 0 in-vitro BCAERO CCCN(C(=O)[C@@H]1C[NH2+]CCOC1)C1CC1 ZINC000643791666 384429328 /nfs/dbraw/zinc/42/93/28/384429328.db2.gz IQOLBFOALXAEAZ-SNVBAGLBSA-N 1 0 226.320 0.623 10 0 BCAERO CCOCCN(CC)C(=O)[C@@H]1C[NH2+]CCOC1 ZINC000643664861 384430409 /nfs/dbraw/zinc/43/04/09/384430409.db2.gz IADIIFXIFGUMDR-LLVKDONJSA-N 1 0 244.335 0.107 10 0 BCAERO CCC[C@H]1C[C@H]1NC(=O)C1([NH3+])CCOCC1 ZINC000229217443 384461748 /nfs/dbraw/zinc/46/17/48/384461748.db2.gz SGRGFHRTLWMSJI-VHSXEESVSA-N 1 0 226.320 0.799 10 0 BCAERO CO[C@@H]1CCCN(C(=O)C2([NH3+])CCOCC2)C1 ZINC000229215444 384461841 /nfs/dbraw/zinc/46/18/41/384461841.db2.gz JBCZIJAKLSWWHL-SNVBAGLBSA-N 1 0 242.319 0.132 10 0 BCAERO CC(C)(C)OC(=O)N1CC[C@]2(C1)C[NH2+]CCO2 ZINC000096987262 384485505 /nfs/dbraw/zinc/48/55/05/384485505.db2.gz GEHLPPCOKTWOOG-GFCCVEGCSA-N 1 0 242.319 0.986 10 0 BCAERO Cc1ocnc1CNC(=O)[C@H]1CCC[NH2+][C@@H]1C ZINC000335663204 384474153 /nfs/dbraw/zinc/47/41/53/384474153.db2.gz VKSCUTZFBCBGFQ-SCZZXKLOSA-N 1 0 237.303 0.987 10 0 BCAERO C[C@H]1CC[C@@H](C(=O)N2CC[NH2+]C(C)(C)C2)O1 ZINC000148964105 384475528 /nfs/dbraw/zinc/47/55/28/384475528.db2.gz JYECORJCEDTXAR-UWVGGRQHSA-N 1 0 226.320 0.764 10 0 BCAERO C[C@@H]1OCC[C@H]1[NH2+]Cc1cnc(N(C)C)n1C ZINC000149476804 384477571 /nfs/dbraw/zinc/47/75/71/384477571.db2.gz FPVAKKODADSAIF-GXSJLCMTSA-N 1 0 238.335 0.753 10 0 BCAERO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C[C@@H]3CCCO3)C[C@H]12 ZINC000248699163 384481467 /nfs/dbraw/zinc/48/14/67/384481467.db2.gz ZHUFQEMDPKSTJI-NOOOWODRSA-N 1 0 238.331 0.751 10 0 BCAERO CC[C@H](O)CCNC(=O)[C@@]1(COC)CCC[NH2+]1 ZINC000643672180 384511412 /nfs/dbraw/zinc/51/14/12/384511412.db2.gz GYNSHUZXXDBZMR-JQWIXIFHSA-N 1 0 244.335 0.032 10 0 BCAERO CC[C@H](O)CCNC(=O)[C@]1(COC)CCC[NH2+]1 ZINC000643672179 384511593 /nfs/dbraw/zinc/51/15/93/384511593.db2.gz GYNSHUZXXDBZMR-CMPLNLGQSA-N 1 0 244.335 0.032 10 0 BCAERO COC(=O)[C@H]1CC[NH2+]C[C@@H]1C(F)(F)F ZINC000199559009 384499664 /nfs/dbraw/zinc/49/96/64/384499664.db2.gz ZJACBBGWJGIKMF-WDSKDSINSA-N 1 0 211.183 0.947 10 0 BCAERO Cn1cncc1[C@H]1[C@H]([NH3+])CCC(=O)N1C ZINC000085169015 384508380 /nfs/dbraw/zinc/50/83/80/384508380.db2.gz DEXKKGSSFWGLCX-GMSGAONNSA-N 1 0 208.265 0.041 10 0 BCAERO Cn1cncc1C[NH2+]C[C@H]1CCC[C@@H]1O ZINC000085169719 384509503 /nfs/dbraw/zinc/50/95/03/384509503.db2.gz SFDSFLSICFGVQL-KOLCDFICSA-N 1 0 209.293 0.671 10 0 BCAERO C[C@@H]1C[C@@H](C)N(C(=O)[C@H]2CCCO2)C[C@H]1C[NH3+] ZINC000397342472 384518443 /nfs/dbraw/zinc/51/84/43/384518443.db2.gz QPFODKBRQAKBOI-DDHJBXDOSA-N 1 0 240.347 0.997 10 0 BCAERO O=C1NCCC[C@H]1[NH2+][C@H]1CCCSC1 ZINC000061589459 384520466 /nfs/dbraw/zinc/52/04/66/384520466.db2.gz KDKSBRFLYQZGGC-DTWKUNHWSA-N 1 0 214.334 0.750 10 0 BCAERO CCOc1cncc(N2C[C@@H](C)[C@@H]([NH3+])C2)n1 ZINC000233796669 384525181 /nfs/dbraw/zinc/52/51/81/384525181.db2.gz HWNKABXGGMBICS-BDAKNGLRSA-N 1 0 222.292 0.659 10 0 BCAERO Fc1cc(F)c(N2CC[NH2+]CC2)nc1F ZINC000098095425 384590341 /nfs/dbraw/zinc/59/03/41/384590341.db2.gz SAVGKGUNLNYCQC-UHFFFAOYSA-N 1 0 217.194 0.909 10 0 BCAERO CCCC(=O)N[C@@H]1CCCN(C(=O)CC[NH3+])C1 ZINC000236723493 384564324 /nfs/dbraw/zinc/56/43/24/384564324.db2.gz VOUIMQACJHAKAV-SNVBAGLBSA-N 1 0 241.335 0.243 10 0 BCAERO CCCC(=O)N[C@@H]1CCCN(C(=O)C[NH2+]C)C1 ZINC000236723565 384564594 /nfs/dbraw/zinc/56/45/94/384564594.db2.gz AKTFTUOODJCGTP-SNVBAGLBSA-N 1 0 241.335 0.113 10 0 BCAERO CO[C@@H]1C[C@@H](CO)[N@H+](C[C@H](O)C(C)(C)C)C1 ZINC000309785331 384607289 /nfs/dbraw/zinc/60/72/89/384607289.db2.gz SKDNCGHJTFWXTI-AXFHLTTASA-N 1 0 231.336 0.475 10 0 BCAERO [NH3+]C[C@@H]1CCN(CC(=O)c2ccc[nH]2)C1 ZINC000050250193 384612021 /nfs/dbraw/zinc/61/20/21/384612021.db2.gz LAOAVTQZZDKSGU-VIFPVBQESA-N 1 0 207.277 0.478 10 0 BCAERO C[NH+](C)CCn1cnc2ccc(N)cc2c1=O ZINC000011848639 384617671 /nfs/dbraw/zinc/61/76/71/384617671.db2.gz FCHSSNINJJZTLZ-UHFFFAOYSA-N 1 0 232.287 0.540 10 0 BCAERO CC(C)C[C@@H](CO)[NH2+]C[C@@H](O)Cn1cccn1 ZINC000040776718 384595844 /nfs/dbraw/zinc/59/58/44/384595844.db2.gz YYYGDOLHPTZIHX-NWDGAFQWSA-N 1 0 241.335 0.241 10 0 BCAERO CC(=O)N(Cc1ncc(C)o1)[C@H]1CC[NH2+]C1 ZINC000082160351 384648540 /nfs/dbraw/zinc/64/85/40/384648540.db2.gz UBLVKEFUHHMXFH-JTQLQIEISA-N 1 0 223.276 0.693 10 0 BCAERO COC[C@@H](C)C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000104184483 384654523 /nfs/dbraw/zinc/65/45/23/384654523.db2.gz WBRZTXHVTXYWDU-ZJUUUORDSA-N 1 0 214.309 0.337 10 0 BCAERO C[NH+](C)[C@@H]1CC[C@H](NC(=O)CC(C)(C)O)C1 ZINC000337151934 384657127 /nfs/dbraw/zinc/65/71/27/384657127.db2.gz MBZGXIKIGFISJI-VHSXEESVSA-N 1 0 228.336 0.746 10 0 BCAERO C[NH+](C)[C@@H]1CC[C@H](NC(=O)c2nnc[nH]2)C1 ZINC000337157490 384660518 /nfs/dbraw/zinc/66/05/18/384660518.db2.gz QJSJLRUAFWPENW-JGVFFNPUSA-N 1 0 223.280 0.017 10 0 BCAERO Cc1c(C[NH2+]C[C@@H](C)N(C)C)cnn1C ZINC000086551984 384662519 /nfs/dbraw/zinc/66/25/19/384662519.db2.gz NBTWBKSLTWGLSS-SECBINFHSA-N 1 0 210.325 0.768 10 0 BCAERO O=C1NC[C@@H](C[N@H+]2CCC[C@H]2CCCO)O1 ZINC000052762774 384723270 /nfs/dbraw/zinc/72/32/70/384723270.db2.gz WVUNRDPMPRXSIS-UWVGGRQHSA-N 1 0 228.292 0.332 10 0 BCAERO C[C@H]1[C@H]([NH3+])CCN1C(=O)c1cccnc1 ZINC000335913185 384677838 /nfs/dbraw/zinc/67/78/38/384677838.db2.gz OKNUIFPUFLKLAK-WCBMZHEXSA-N 1 0 205.261 0.643 10 0 BCAERO COc1cc(CN[C@@H]2CC[NH2+]C2)ccn1 ZINC000086729978 384679478 /nfs/dbraw/zinc/67/94/78/384679478.db2.gz VZONIZYTTXOZLT-SNVBAGLBSA-N 1 0 207.277 0.542 10 0 BCAERO COC[C@@]1(C(=O)N[C@H]2CCCOC2)CCC[NH2+]1 ZINC000643680051 384683286 /nfs/dbraw/zinc/68/32/86/384683286.db2.gz ZEUVMSRICCMRPZ-CMPLNLGQSA-N 1 0 242.319 0.050 10 0 BCAERO COC[C@]1(C(=O)N[C@@H]2CCCOC2)CCC[NH2+]1 ZINC000643680053 384684342 /nfs/dbraw/zinc/68/43/42/384684342.db2.gz ZEUVMSRICCMRPZ-PWSUYJOCSA-N 1 0 242.319 0.050 10 0 BCAERO COc1cc(N)ccc1N1CC[NH2+]CC1 ZINC000082689672 384704376 /nfs/dbraw/zinc/70/43/76/384704376.db2.gz FKWGHBMJVNCRQB-UHFFFAOYSA-N 1 0 207.277 0.687 10 0 BCAERO C[C@H]([NH2+]CC(N)=O)c1ccc2c(c1)OCCO2 ZINC000021966903 384711829 /nfs/dbraw/zinc/71/18/29/384711829.db2.gz CCPKFHYMFPVVJM-QMMMGPOBSA-N 1 0 236.271 0.594 10 0 BCAERO C[C@@H]([NH2+]C[C@@H](O)C(C)(C)C)[C@H](C)CO ZINC000308507837 384772926 /nfs/dbraw/zinc/77/29/26/384772926.db2.gz APQNAIXZWXHCIZ-OPRDCNLKSA-N 1 0 203.326 1.000 10 0 BCAERO C[C@@H](C[NH3+])N(C)c1ncnc2c1CCC2 ZINC000082640210 384773644 /nfs/dbraw/zinc/77/36/44/384773644.db2.gz FJAOAJNWSNTPEN-QMMMGPOBSA-N 1 0 206.293 0.749 10 0 BCAERO CN(C[C@H]1CCCO1)C(=O)C1(C)C[NH2+]C1 ZINC000335020061 384773809 /nfs/dbraw/zinc/77/38/09/384773809.db2.gz XUMBQFVCWKGSCZ-SECBINFHSA-N 1 0 212.293 0.233 10 0 BCAERO C[C@@H](NC(=O)C1(C)C[NH2+]C1)[C@H]1CCCO1 ZINC000335039130 384775817 /nfs/dbraw/zinc/77/58/17/384775817.db2.gz MFTMRCVTPFSKHW-RKDXNWHRSA-N 1 0 212.293 0.280 10 0 BCAERO [NH3+]C[C@@H]1CCCN(S(=O)(=O)C(F)F)C1 ZINC000044528844 384777250 /nfs/dbraw/zinc/77/72/50/384777250.db2.gz ASBWDRDZSWYLDH-LURJTMIESA-N 1 0 228.264 0.210 10 0 BCAERO Cc1c(C[NH2+][C@@H]2CCC(=O)N[C@H]2C)cnn1C ZINC000282537861 384734856 /nfs/dbraw/zinc/73/48/56/384734856.db2.gz ZLUXQHAWFMZKRU-GZMMTYOYSA-N 1 0 236.319 0.485 10 0 BCAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)N[C@@H]1C[C@H]2C[C@H]2C1 ZINC000644199846 384750637 /nfs/dbraw/zinc/75/06/37/384750637.db2.gz FKQAWQCYLKZNMJ-KAMPLNKDSA-N 1 0 223.320 0.916 10 0 BCAERO [NH3+][C@@H](CO)c1cccc(Br)n1 ZINC000083300743 384759214 /nfs/dbraw/zinc/75/92/14/384759214.db2.gz OMGUWDWNWSFKMB-YFKPBYRVSA-N 1 0 217.066 0.836 10 0 BCAERO [NH3+][C@H](C(=O)N1CCn2ccnc2C1)C1CCC1 ZINC000335653869 384819169 /nfs/dbraw/zinc/81/91/69/384819169.db2.gz NTZNFOKANZFHAN-NSHDSACASA-N 1 0 234.303 0.353 10 0 BCAERO CC(C)(C)CNC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188326798 384819570 /nfs/dbraw/zinc/81/95/70/384819570.db2.gz OSQYIIPWGSQPAT-JGVFFNPUSA-N 1 0 202.273 0.849 10 0 BCAERO C[C@H]1CCCN1C(=O)[C@H]1C[NH2+]CCOC1 ZINC000643688670 384825706 /nfs/dbraw/zinc/82/57/06/384825706.db2.gz GJQVVDPZHWSSIJ-UWVGGRQHSA-N 1 0 212.293 0.233 10 0 BCAERO CC[C@@H](C)CN(C)C(=O)[C@H]1C[NH2+]CCOC1 ZINC000643688876 384827508 /nfs/dbraw/zinc/82/75/08/384827508.db2.gz MRURSMOWBKACHV-MNOVXSKESA-N 1 0 228.336 0.727 10 0 BCAERO CCC1(N2CC[NH2+]CC2)CC[NH+](C)CC1 ZINC000039101536 384827487 /nfs/dbraw/zinc/82/74/87/384827487.db2.gz DZQVYTWHRDCJJG-UHFFFAOYSA-N 1 0 211.353 0.766 10 0 BCAERO Cc1nnsc1C[NH2+]CC1CC(O)C1 ZINC000308586083 384828015 /nfs/dbraw/zinc/82/80/15/384828015.db2.gz RYFKJHFXUGNHAD-UHFFFAOYSA-N 1 0 213.306 0.707 10 0 BCAERO CC[C@H](C)[C@H]([NH3+])C(=O)N[C@H](C)[C@@H](C)CO ZINC000163397292 384803993 /nfs/dbraw/zinc/80/39/93/384803993.db2.gz AYKNMZHXTYYMDE-QEYWKRMJSA-N 1 0 216.325 0.493 10 0 BCAERO CS(=O)(=O)c1cccc([C@H]([NH3+])CO)c1 ZINC000072198260 384810305 /nfs/dbraw/zinc/81/03/05/384810305.db2.gz NWIHYKJMGYEDRI-SECBINFHSA-N 1 0 215.274 0.082 10 0 BCAERO COC[C@H](C)[NH2+][C@@H]1CCC(=O)N[C@@H]1C ZINC000308626595 384876607 /nfs/dbraw/zinc/87/66/07/384876607.db2.gz WWKZRYSLSIVGQM-DJLDLDEBSA-N 1 0 200.282 0.278 10 0 BCAERO Nn1cnnc1SC[C@H]1CCC[NH2+]C1 ZINC000043471885 384838495 /nfs/dbraw/zinc/83/84/95/384838495.db2.gz KQIMGWWDWJKVFG-ZETCQYMHSA-N 1 0 213.310 0.084 10 0 BCAERO COC(=O)[C@@]1(C)CCCN1CCn1ccnc1 ZINC000186372566 384839476 /nfs/dbraw/zinc/83/94/76/384839476.db2.gz JVGRDWDNWHGTMG-GFCCVEGCSA-N 1 0 237.303 0.911 10 0 BCAERO CO[C@H]1C[C@H](CO)[N@H+](CCc2ccncc2)C1 ZINC000310132741 384851999 /nfs/dbraw/zinc/85/19/99/384851999.db2.gz KZRLZNNAQKIKBX-OLZOCXBDSA-N 1 0 236.315 0.706 10 0 BCAERO CO[C@H]1C[C@H](CO)[N@H+](CCCn2ccnc2)C1 ZINC000310140545 384855922 /nfs/dbraw/zinc/85/59/22/384855922.db2.gz MXPXWRUJIKSCMH-NEPJUHHUSA-N 1 0 239.319 0.355 10 0 BCAERO C[NH2+][C@H](C)CNS(=O)(=O)C1(C)CC1 ZINC000647292613 384866604 /nfs/dbraw/zinc/86/66/04/384866604.db2.gz ZVDOAGDIXZDZTQ-SSDOTTSWSA-N 1 0 206.311 0.066 10 0 BCAERO C[C@@H]1CC[C@H](CN2CC[C@H]3OCC[NH2+][C@H]3C2)O1 ZINC000404215960 384961083 /nfs/dbraw/zinc/96/10/83/384961083.db2.gz YJDPXCYKLKDJAO-FVCCEPFGSA-N 1 0 240.347 0.617 10 0 BCAERO C[C@H]1[C@H]([NH3+])CCN1C(=O)CCn1ccnc1 ZINC000309286127 384893618 /nfs/dbraw/zinc/89/36/18/384893618.db2.gz ISXKWHYCYJYLQH-VHSXEESVSA-N 1 0 222.292 0.221 10 0 BCAERO CCc1cc(N2CC[C@H]3OCC[NH2+][C@@H]3C2)ncn1 ZINC000404083942 384897758 /nfs/dbraw/zinc/89/77/58/384897758.db2.gz QMJXTIZZVMCPNQ-VXGBXAGGSA-N 1 0 248.330 0.606 10 0 BCAERO Cc1nocc1C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000402525422 384909113 /nfs/dbraw/zinc/90/91/13/384909113.db2.gz HBLMGVZRCBEGSH-QXEWZRGKSA-N 1 0 235.287 0.792 10 0 BCAERO C[N@@H+](C[C@H]1CCC[C@@H]1O)C[C@@H]1CNC(=O)O1 ZINC000497256772 384917123 /nfs/dbraw/zinc/91/71/23/384917123.db2.gz IPZBAOBQCBIISW-UTLUCORTSA-N 1 0 228.292 0.188 10 0 BCAERO O=C1NC[C@H](C[N@H+]2CCC[C@H]2CCCO)O1 ZINC000252430130 384921115 /nfs/dbraw/zinc/92/11/15/384921115.db2.gz WVUNRDPMPRXSIS-VHSXEESVSA-N 1 0 228.292 0.332 10 0 BCAERO c1ccc(NC[C@@H]2CN3CCN2CC3)nc1 ZINC000301769965 384932417 /nfs/dbraw/zinc/93/24/17/384932417.db2.gz JEQPSQCPAUPKJU-LLVKDONJSA-N 1 0 218.304 0.493 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)N2CC[C@H]([NH+](C)C)C2)O1 ZINC000152148425 384969245 /nfs/dbraw/zinc/96/92/45/384969245.db2.gz HBQCVBFQBFJAEH-OUAUKWLOSA-N 1 0 226.320 0.716 10 0 BCAERO C[NH+](C)[C@H]1CCN(C(=O)C2=COCCC2)C1 ZINC000107591144 384982599 /nfs/dbraw/zinc/98/25/99/384982599.db2.gz YYFJHMKCMGMZJI-NSHDSACASA-N 1 0 224.304 0.843 10 0 BCAERO C[C@H](O)C1CCN(C(=O)C(C)(C)C[NH3+])CC1 ZINC000226332583 384983305 /nfs/dbraw/zinc/98/33/05/384983305.db2.gz BNQFBEIRVZXIHA-VIFPVBQESA-N 1 0 228.336 0.591 10 0 BCAERO C[C@@H]([NH3+])[C@@H](C)Nc1cn[nH]c(=O)c1Cl ZINC000307428302 385009586 /nfs/dbraw/zinc/00/95/86/385009586.db2.gz TXXMNENGWAQZAZ-RFZPGFLSSA-N 1 0 216.672 0.571 10 0 BCAERO CC(C)C1([NH2+]C[C@@H](O)CN2CCOCC2)CC1 ZINC000339507898 385010094 /nfs/dbraw/zinc/01/00/94/385010094.db2.gz GKEBDWVAYAMHFP-GFCCVEGCSA-N 1 0 242.363 0.458 10 0 BCAERO C[NH+](C)C[C@@H]1CN(Cc2cncs2)CCO1 ZINC000128180657 385012941 /nfs/dbraw/zinc/01/29/41/385012941.db2.gz WJXYPMBPXMXLOJ-SNVBAGLBSA-N 1 0 241.360 0.906 10 0 BCAERO COC[C@]1(C(=O)N[C@@H]2CCO[C@@H]2C)CCC[NH2+]1 ZINC000643768056 385051418 /nfs/dbraw/zinc/05/14/18/385051418.db2.gz PJMHGHAWTCVKFY-FOGDFJRCSA-N 1 0 242.319 0.049 10 0 BCAERO CN(C(=O)[C@@H]1C[NH2+]CCOC1)[C@@H]1CCSC1 ZINC000643767670 385034501 /nfs/dbraw/zinc/03/45/01/385034501.db2.gz MJUJHWKFOWGCPI-NXEZZACHSA-N 1 0 244.360 0.186 10 0 BCAERO Cn1nccc1[C@@H]1[C@H]([NH3+])CCC(=O)N1C ZINC000164786953 385040700 /nfs/dbraw/zinc/04/07/00/385040700.db2.gz GECWGZMABPIRPP-XCBNKYQSSA-N 1 0 208.265 0.041 10 0 BCAERO COC(=O)c1cccc(-n2nncc2C[NH3+])c1 ZINC000062264478 385110429 /nfs/dbraw/zinc/11/04/29/385110429.db2.gz XIFVWGRKIMHRKF-UHFFFAOYSA-N 1 0 232.243 0.513 10 0 BCAERO CC(C)(C)OC(=O)NCC[NH2+]CC(C)(C)O ZINC000157143020 385086440 /nfs/dbraw/zinc/08/64/40/385086440.db2.gz LWQNVWBFJRYKJN-UHFFFAOYSA-N 1 0 232.324 0.872 10 0 BCAERO C[C@H]1[C@H]([NH3+])CCN1C(=O)c1ccnc(N(C)C)c1 ZINC000647045038 385182152 /nfs/dbraw/zinc/18/21/52/385182152.db2.gz XDQASWWOWDAACW-GXSJLCMTSA-N 1 0 248.330 0.709 10 0 BCAERO NC(=O)[C@H](C[NH3+])Cc1cc(F)c(F)c(F)c1 ZINC000062706083 385184227 /nfs/dbraw/zinc/18/42/27/385184227.db2.gz NXLNHWUYVSERBX-LURJTMIESA-N 1 0 232.205 0.707 10 0 BCAERO C[C@@H]([NH2+][C@H](CO)c1ccccc1)C(=O)NC1CC1 ZINC000063002780 385201638 /nfs/dbraw/zinc/20/16/38/385201638.db2.gz NBZWAGZPIZULSY-ZWNOBZJWSA-N 1 0 248.326 0.977 10 0 BCAERO COC[C@@H](C)NC(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000227455561 385144508 /nfs/dbraw/zinc/14/45/08/385144508.db2.gz KHZFIUFOEXAQRJ-OPRDCNLKSA-N 1 0 214.309 0.526 10 0 BCAERO C[C@H](NC(=O)[C@@H]1CC[NH2+]C1)c1cccnc1 ZINC000062112825 385157638 /nfs/dbraw/zinc/15/76/38/385157638.db2.gz UOJKUBHCHCBIFX-GXSJLCMTSA-N 1 0 219.288 0.868 10 0 BCAERO Cc1nocc1C(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000402701813 385158729 /nfs/dbraw/zinc/15/87/29/385158729.db2.gz BNHTXQGUABNJEZ-WPRPVWTQSA-N 1 0 223.276 0.840 10 0 BCAERO CC(C)[C@H]([NH3+])CN1CCn2ccnc2C1 ZINC000062321514 385170639 /nfs/dbraw/zinc/17/06/39/385170639.db2.gz XHHXHYNJBWWORH-SNVBAGLBSA-N 1 0 208.309 0.682 10 0 BCAERO CN(C[C@@H]1CCC[C@H]1O)C(=O)[C@@]1(C)CCC[NH2+]1 ZINC000566249323 385171846 /nfs/dbraw/zinc/17/18/46/385171846.db2.gz QHOUZVJQPPHBNX-DMDPSCGWSA-N 1 0 240.347 0.748 10 0 BCAERO CC(C)(C)[C@H](O)Cn1cc(CC[NH3+])nn1 ZINC000308801846 385175432 /nfs/dbraw/zinc/17/54/32/385175432.db2.gz MXLAHTCBKWCUQQ-SECBINFHSA-N 1 0 212.297 0.186 10 0 BCAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)[C@H]1CC12CCOCC2 ZINC000647044134 385176968 /nfs/dbraw/zinc/17/69/68/385176968.db2.gz CDQYDCJECPRQTK-MXWKQRLJSA-N 1 0 238.331 0.751 10 0 BCAERO COC[C@H](C)C[N@@H+]1CCC[C@@H]1C(=O)OC ZINC000189616513 385226477 /nfs/dbraw/zinc/22/64/77/385226477.db2.gz UHLSVCYPMQEWRZ-NXEZZACHSA-N 1 0 215.293 0.906 10 0 BCAERO CS(=O)(=O)[C@H]1C[NH2+]C[C@@H]1C(F)(F)F ZINC000306810041 385243426 /nfs/dbraw/zinc/24/34/26/385243426.db2.gz AYYBWLVVSJHYRW-WHFBIAKZSA-N 1 0 217.212 0.181 10 0 BCAERO C[C@@H](O)C[N@@H+]1CCN(Cc2ccncc2)C[C@H]1C ZINC000130384757 385243924 /nfs/dbraw/zinc/24/39/24/385243924.db2.gz ZBKXNBHENQSMAJ-CHWSQXEVSA-N 1 0 249.358 0.969 10 0 BCAERO C[C@H]1CN(C(=O)c2ccnc(N(C)C)c2)C[C@@H]1[NH3+] ZINC000647084667 385245558 /nfs/dbraw/zinc/24/55/58/385245558.db2.gz UFEXYWSZDZZLOU-ONGXEEELSA-N 1 0 248.330 0.567 10 0 BCAERO C[NH+](C)C1CCN(CC(C)(C)O)CC1 ZINC000037694126 385309464 /nfs/dbraw/zinc/30/94/64/385309464.db2.gz QCAAJVHGOUIUDD-UHFFFAOYSA-N 1 0 200.326 0.783 10 0 BCAERO COCC[N@@H+]1CCN(Cc2ccon2)C[C@@H]1C ZINC000157949080 385316581 /nfs/dbraw/zinc/31/65/81/385316581.db2.gz CHJTWXYKEJEXHI-NSHDSACASA-N 1 0 239.319 0.827 10 0 BCAERO CCNC(=O)C(C)(C)[NH2+]C[C@H](O)C(C)(C)C ZINC000313049741 385265076 /nfs/dbraw/zinc/26/50/76/385265076.db2.gz SHSGNZRYTBISOJ-VIFPVBQESA-N 1 0 230.352 0.898 10 0 BCAERO CC(C)[C@H](C)[NH2+][C@H]1COC[C@H]1n1ccnn1 ZINC000344444815 385277379 /nfs/dbraw/zinc/27/73/79/385277379.db2.gz CGSBMKJTTWMPCC-GARJFASQSA-N 1 0 224.308 0.852 10 0 BCAERO COCc1noc([C@]2(COC)CCC[NH2+]2)n1 ZINC000643936417 385296012 /nfs/dbraw/zinc/29/60/12/385296012.db2.gz NBMHZVKMOQNJHL-SNVBAGLBSA-N 1 0 227.264 0.441 10 0 BCAERO C[C@@H](CO)C[NH2+][C@@H]1CCC(=O)NC1(C)C ZINC000309011318 385358273 /nfs/dbraw/zinc/35/82/73/385358273.db2.gz RYOIUIAXVWWWIJ-RKDXNWHRSA-N 1 0 214.309 0.262 10 0 BCAERO COc1c(C[NH2+]CCCCCO)c(C)nn1C ZINC000192901469 385376594 /nfs/dbraw/zinc/37/65/94/385376594.db2.gz ZOSNSRABDDGKCS-UHFFFAOYSA-N 1 0 241.335 0.989 10 0 BCAERO CC1(CNC(=O)[C@@H]2C[NH2+]CCC2(F)F)COC1 ZINC000644018494 385379835 /nfs/dbraw/zinc/37/98/35/385379835.db2.gz VFOOFHLOSYMKNW-QMMMGPOBSA-N 1 0 248.273 0.384 10 0 BCAERO CCCCC[N@@H+]1CCC[C@](O)(C(N)=O)C1 ZINC000309042359 385388178 /nfs/dbraw/zinc/38/81/78/385388178.db2.gz KUFXTFAQYYHEAJ-LLVKDONJSA-N 1 0 214.309 0.489 10 0 BCAERO CCOC(=O)CCN1CC[C@H]([NH+](C)C)C1 ZINC000062966228 385409130 /nfs/dbraw/zinc/40/91/30/385409130.db2.gz SHUZUICBNOQOLM-JTQLQIEISA-N 1 0 214.309 0.576 10 0 BCAERO Cn1ccc(CC(=O)N[C@H]2CCC[C@@H]2C[NH3+])n1 ZINC000644065128 385413402 /nfs/dbraw/zinc/41/34/02/385413402.db2.gz WVKZUXFJWDEGQF-KOLCDFICSA-N 1 0 236.319 0.206 10 0 BCAERO C[NH+](C)CC(=O)N[C@H]1COc2ccccc21 ZINC000170771861 385443133 /nfs/dbraw/zinc/44/31/33/385443133.db2.gz SHYQBCZJQFRRIY-JTQLQIEISA-N 1 0 220.272 0.798 10 0 BCAERO C[NH+](C)[C@H]1CCN(C(=O)NCc2ccncc2)C1 ZINC000170861527 385450821 /nfs/dbraw/zinc/45/08/21/385450821.db2.gz RNAGPNJYKHHTCV-LBPRGKRZSA-N 1 0 248.330 0.927 10 0 BCAERO Cn1cccc1C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170855998 385451870 /nfs/dbraw/zinc/45/18/70/385451870.db2.gz LFQKAVJKVQTPGD-SNVBAGLBSA-N 1 0 221.304 0.801 10 0 BCAERO C[C@@H]1C[C@@](NC2CC2)(C(N)=O)CC[N@@H+]1C ZINC000156468244 385452329 /nfs/dbraw/zinc/45/23/29/385452329.db2.gz SCLZUSFMPOAEMW-LDYMZIIASA-N 1 0 211.309 0.077 10 0 BCAERO CCN(CC[NH3+])c1cn[nH]c(=O)c1Cl ZINC000165951827 385429622 /nfs/dbraw/zinc/42/96/22/385429622.db2.gz GTVUNGLKIBUABX-UHFFFAOYSA-N 1 0 216.672 0.208 10 0 BCAERO Cc1nnc(C[NH2+][C@@H](C)[C@H]2CCCO2)[nH]1 ZINC000309152448 385436232 /nfs/dbraw/zinc/43/62/32/385436232.db2.gz WQENXAZMHZCCAM-IONNQARKSA-N 1 0 210.281 0.770 10 0 BCAERO CC[C@@H](O)C[N@@H+]1CCC[C@@H]1CCCO ZINC000052762256 385466884 /nfs/dbraw/zinc/46/68/84/385466884.db2.gz YUJJVMXUFZPIAZ-GHMZBOCLSA-N 1 0 201.310 0.994 10 0 BCAERO COc1nccc(C[NH2+]CCn2cc(C)cn2)n1 ZINC000295170078 385467608 /nfs/dbraw/zinc/46/76/08/385467608.db2.gz LHRHIYSBFAFWLY-UHFFFAOYSA-N 1 0 247.302 0.780 10 0 BCAERO CC(C)CCC[N@@H+]1CCC[C@@](O)(C(N)=O)C1 ZINC000309221075 385490637 /nfs/dbraw/zinc/49/06/37/385490637.db2.gz QNHSMKLVIXISRE-LBPRGKRZSA-N 1 0 228.336 0.735 10 0 BCAERO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)[C@H]2CCCO2)C1 ZINC000166398124 385497789 /nfs/dbraw/zinc/49/77/89/385497789.db2.gz KYCCFNASJDAROD-OPRDCNLKSA-N 1 0 212.293 0.361 10 0 BCAERO COc1cc(C)nc(N[C@@H]2CCC[NH2+]C2)n1 ZINC000166461469 385501702 /nfs/dbraw/zinc/50/17/02/385501702.db2.gz VTICOQIJYGQEQW-SECBINFHSA-N 1 0 222.292 0.958 10 0 BCAERO CC[C@@H](O)C[N@@H+]1CCN(CCOC)[C@@H](CC)C1 ZINC000106386528 385507197 /nfs/dbraw/zinc/50/71/97/385507197.db2.gz ISERSLIZGHARBP-QWHCGFSZSA-N 1 0 244.379 0.800 10 0 BCAERO CC[C@H](O)C[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000106386928 385508124 /nfs/dbraw/zinc/50/81/24/385508124.db2.gz ZLWMJIPEIPDQJZ-RYUDHWBXSA-N 1 0 238.335 0.761 10 0 BCAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)CCn1ccnc1 ZINC000309286130 385509362 /nfs/dbraw/zinc/50/93/62/385509362.db2.gz ISXKWHYCYJYLQH-ZJUUUORDSA-N 1 0 222.292 0.221 10 0 BCAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)CCn1ccnc1 ZINC000309286121 385509540 /nfs/dbraw/zinc/50/95/40/385509540.db2.gz ISXKWHYCYJYLQH-NXEZZACHSA-N 1 0 222.292 0.221 10 0 BCAERO CO[C@H]1C[C@H](CO)[N@H+](Cc2cccnc2)C1 ZINC000309292971 385514201 /nfs/dbraw/zinc/51/42/01/385514201.db2.gz QQIHYBATFZXDTB-NEPJUHHUSA-N 1 0 222.288 0.663 10 0 BCAERO CN1C(=O)CC[C@H]([NH2+][C@H]2CCC2(C)C)C1=O ZINC000309291473 385514435 /nfs/dbraw/zinc/51/44/35/385514435.db2.gz JTAFLFMHVBENDN-IUCAKERBSA-N 1 0 224.304 0.912 10 0 BCAERO Cc1conc1C(=O)N1CCC[C@@H]1C[NH3+] ZINC000257708334 385489762 /nfs/dbraw/zinc/48/97/62/385489762.db2.gz PYDRJUUNDJXRRI-MRVPVSSYSA-N 1 0 209.249 0.546 10 0 BCAERO O[C@@H]1C[NH2+]C[C@@H]1CNc1ccnc2cccnc21 ZINC000643040261 385543755 /nfs/dbraw/zinc/54/37/55/385543755.db2.gz NZSYEXLGFNCLHS-BXKDBHETSA-N 1 0 244.298 0.044 10 0 BCAERO C[NH+](C)C[C@@H]1CN(Cc2ccon2)CCO1 ZINC000158005666 385543994 /nfs/dbraw/zinc/54/39/94/385543994.db2.gz NOFXDJJDVRVVIL-LLVKDONJSA-N 1 0 225.292 0.437 10 0 BCAERO CCOc1nccnc1N1CC[C@H]([NH3+])[C@H]1C ZINC000643041335 385545468 /nfs/dbraw/zinc/54/54/68/385545468.db2.gz DXCCLXHVDBOLTJ-BDAKNGLRSA-N 1 0 222.292 0.801 10 0 BCAERO CCOc1nccnc1N1CC[C@@H]([NH3+])[C@H]1C ZINC000643041337 385545514 /nfs/dbraw/zinc/54/55/14/385545514.db2.gz DXCCLXHVDBOLTJ-RKDXNWHRSA-N 1 0 222.292 0.801 10 0 BCAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]Cc1nccs1 ZINC000282210573 385521027 /nfs/dbraw/zinc/52/10/27/385521027.db2.gz DJWOCBHLUMACDO-JGVFFNPUSA-N 1 0 225.317 0.900 10 0 BCAERO [NH3+]Cc1cn(C2CCCC2)c(=O)[nH]c1=O ZINC000257979926 385523034 /nfs/dbraw/zinc/52/30/34/385523034.db2.gz VDWLTGKYPURWEC-UHFFFAOYSA-N 1 0 209.249 0.523 10 0 BCAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]C[C@@H](O)c1ccccc1 ZINC000282229886 385526401 /nfs/dbraw/zinc/52/64/01/385526401.db2.gz FKYJUQMNQZNSGH-CYZMBNFOSA-N 1 0 248.326 0.977 10 0 BCAERO CO[C@@H]1C[N@@H+]([C@H]2CCCC[C@@H]2O)C[C@@H]1OC ZINC000234943360 259670418 /nfs/dbraw/zinc/67/04/18/259670418.db2.gz QVXFGTNXPVNJHM-FIQHERPVSA-N 1 0 229.320 0.636 10 0 BCAERO CC[C@@](C)(C[NH3+])C1(O)COCCOC1 ZINC000306713344 385596552 /nfs/dbraw/zinc/59/65/52/385596552.db2.gz VIYJKIGLXGNSIZ-VIFPVBQESA-N 1 0 203.282 0.139 10 0 BCAERO O[C@H](C[NH2+]CC1CC(O)C1)CC(F)(F)F ZINC000307946486 385588788 /nfs/dbraw/zinc/58/87/88/385588788.db2.gz KFPDNLNOQRLANN-RRQHEKLDSA-N 1 0 227.226 0.660 10 0 BCAERO COc1ccc([C@@H](O)C(N)=[NH2+])cc1OC ZINC000039135100 533135092 /nfs/dbraw/zinc/13/50/92/533135092.db2.gz WMPCZGCBMIZLIS-SECBINFHSA-N 1 0 210.233 0.673 10 0 BCAERO CC(C)(C)OC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1=O ZINC000253388128 385673640 /nfs/dbraw/zinc/67/36/40/385673640.db2.gz ZCPQWXSMXZWYEK-HTQZYQBOSA-N 1 0 226.276 0.599 10 0 BCAERO CC(C)(C)OC(=O)N1C[C@H]2C[NH2+]C[C@@H]2C1=O ZINC000253388130 385673897 /nfs/dbraw/zinc/67/38/97/385673897.db2.gz ZCPQWXSMXZWYEK-SFYZADRCSA-N 1 0 226.276 0.599 10 0 BCAERO Cc1cnccc1CNC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000335465054 385684710 /nfs/dbraw/zinc/68/47/10/385684710.db2.gz RPFBJPQVNQNZCO-WDEREUQCSA-N 1 0 237.278 0.706 10 0 BCAERO COCC[C@H](COC)[NH2+]Cc1cnn(C)c1C ZINC000336684123 385670052 /nfs/dbraw/zinc/67/00/52/385670052.db2.gz FNJGATAXLQGRSR-GFCCVEGCSA-N 1 0 241.335 0.870 10 0 BCAERO C[C@@H](C(N)=S)[N@@H+]1CCOC[C@H](C)C1 ZINC000306981693 385788183 /nfs/dbraw/zinc/78/81/83/385788183.db2.gz IGHLLSAAMNYUAY-SFYZADRCSA-N 1 0 202.323 0.629 10 0 BCAERO C[C@@H]([NH2+]C[C@@H]1CCCn2ccnc21)C(N)=O ZINC000309609801 385739273 /nfs/dbraw/zinc/73/92/73/385739273.db2.gz ZPOOUILTTQZKRR-BDAKNGLRSA-N 1 0 222.292 0.224 10 0 BCAERO C[C@@H]([NH2+]C[C@H]1CCCn2ccnc21)C(N)=O ZINC000309609804 385740390 /nfs/dbraw/zinc/74/03/90/385740390.db2.gz ZPOOUILTTQZKRR-RKDXNWHRSA-N 1 0 222.292 0.224 10 0 BCAERO C[C@H]([NH2+]C[C@@H]1CCCn2ccnc21)C(N)=O ZINC000309609803 385740678 /nfs/dbraw/zinc/74/06/78/385740678.db2.gz ZPOOUILTTQZKRR-IUCAKERBSA-N 1 0 222.292 0.224 10 0 BCAERO CCC(CC)[C@@H](O)CNC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000230630858 385744355 /nfs/dbraw/zinc/74/43/55/385744355.db2.gz LQVITWFVSVOFKV-JLLWLGSASA-N 1 0 242.363 0.755 10 0 BCAERO CCO[C@H]1C[C@@H]([NH2+]CCO)C12CCOCC2 ZINC000186212153 385750176 /nfs/dbraw/zinc/75/01/76/385750176.db2.gz KIMNOBOCPPURLH-MNOVXSKESA-N 1 0 229.320 0.543 10 0 BCAERO CC[C@H]([NH3+])CNc1nc([C@H](C)OC)ns1 ZINC000336698558 385753362 /nfs/dbraw/zinc/75/33/62/385753362.db2.gz OPYSSMCJNXRMFI-BQBZGAKWSA-N 1 0 230.337 0.817 10 0 BCAERO CCOC(=O)CCC[NH2+][C@@H](C(=O)NC)C(C)C ZINC000183657005 385784932 /nfs/dbraw/zinc/78/49/32/385784932.db2.gz GVOJHTTVXHNYGM-LLVKDONJSA-N 1 0 244.335 0.690 10 0 BCAERO COc1c(C)cc(C[C@H]([NH3+])CO)cc1O ZINC000034485012 385814553 /nfs/dbraw/zinc/81/45/53/385814553.db2.gz SOPZJDZNQIPRLH-VIFPVBQESA-N 1 0 211.261 0.571 10 0 BCAERO Oc1cc(F)cc(CNC[C@H]2C[NH2+]C[C@H]2O)c1 ZINC000263301585 385823002 /nfs/dbraw/zinc/82/30/02/385823002.db2.gz XCBMMILMLKKGHO-JOYOIKCWSA-N 1 0 240.278 0.201 10 0 BCAERO O=C(NCCc1cnc(C2CC2)nc1)C1C[NH2+]C1 ZINC000263342002 385833960 /nfs/dbraw/zinc/83/39/60/385833960.db2.gz XWZPHIUPBFNTMI-UHFFFAOYSA-N 1 0 246.314 0.232 10 0 BCAERO CO[C@@H]1C[NH2+][C@H](c2csc(=O)[nH]2)C1 ZINC000231876128 385840498 /nfs/dbraw/zinc/84/04/98/385840498.db2.gz AMCAHUVRELGVRF-WDSKDSINSA-N 1 0 200.263 0.898 10 0 BCAERO CC1CC(C(=O)NCC2([NH3+])CCOCC2)C1 ZINC000638537194 385791172 /nfs/dbraw/zinc/79/11/72/385791172.db2.gz DDJNFCJQTDPLMS-UHFFFAOYSA-N 1 0 226.320 0.657 10 0 BCAERO CCc1nnc(CN2CC[NH2+][C@H](C)C2)n1C ZINC000647842540 385892016 /nfs/dbraw/zinc/89/20/16/385892016.db2.gz QLSONGSFMBXQDO-SECBINFHSA-N 1 0 223.324 0.171 10 0 BCAERO C[C@@H]1CC[C@H](N2C[C@@H]([NH3+])C2=O)CS1 ZINC000575535093 385903633 /nfs/dbraw/zinc/90/36/33/385903633.db2.gz RIWHGSLOBKNLSG-GJMOJQLCSA-N 1 0 200.307 0.440 10 0 BCAERO CC(=O)N1CCC[N@@H+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000051770217 385908776 /nfs/dbraw/zinc/90/87/76/385908776.db2.gz LTWAYSJAVJLTCP-STQMWFEESA-N 1 0 240.347 0.844 10 0 BCAERO Cc1cc(=O)[nH]c(S[C@H]2CC[NH2+]C2)n1 ZINC000051783994 385914601 /nfs/dbraw/zinc/91/46/01/385914601.db2.gz KAJPDCLYMDQHEP-ZETCQYMHSA-N 1 0 211.290 0.532 10 0 BCAERO CS[C@H](C)CNC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000122398594 385917429 /nfs/dbraw/zinc/91/74/29/385917429.db2.gz JGBLJZYQBLOJRO-VGMNWLOBSA-N 1 0 216.350 0.982 10 0 BCAERO [NH3+][C@@H]1CC[C@@H](C(=O)NC[C@H]2CCCCO2)C1 ZINC000250802886 385927766 /nfs/dbraw/zinc/92/77/66/385927766.db2.gz BTMGSFLNBANYOK-GMTAPVOTSA-N 1 0 226.320 0.799 10 0 BCAERO COC(=O)[C@H](C[NH3+])Cc1ccc(O)c(F)c1 ZINC000232443761 385866762 /nfs/dbraw/zinc/86/67/62/385866762.db2.gz LEHMKXGOQHUOHO-QMMMGPOBSA-N 1 0 227.235 0.822 10 0 BCAERO C[C@@H]1C[C@H](N2C[C@H]([NH3+])CC2=O)CS1 ZINC000307128347 385928500 /nfs/dbraw/zinc/92/85/00/385928500.db2.gz DYFQHDMPYYICHO-PRJMDXOYSA-N 1 0 200.307 0.440 10 0 BCAERO CC[N@@H+]1CCC[C@@H](NC(=O)N[C@@H]2CCOC2)C1 ZINC000159337071 385883350 /nfs/dbraw/zinc/88/33/50/385883350.db2.gz HJKFBXJNAVOTQA-GHMZBOCLSA-N 1 0 241.335 0.559 10 0 BCAERO CC[C@@](C)(O)C[N@@H+]1CCN(CCO)[C@H](C)C1 ZINC000189246272 385975102 /nfs/dbraw/zinc/97/51/02/385975102.db2.gz IXFPWAOZQCEURN-VXGBXAGGSA-N 1 0 230.352 0.146 10 0 BCAERO Cn1ncc(NCC2C[NH2+]C2)c1Cl ZINC000575541550 385953929 /nfs/dbraw/zinc/95/39/29/385953929.db2.gz JDLKRXICLWVJSR-UHFFFAOYSA-N 1 0 200.673 0.705 10 0 BCAERO CS(=O)(=O)[C@@H]1CCC[C@@]1([NH3+])C1CC1 ZINC000575560309 386010609 /nfs/dbraw/zinc/01/06/09/386010609.db2.gz IKTPKASIEBMNCN-RKDXNWHRSA-N 1 0 203.307 0.691 10 0 BCAERO COC[C@H](C)C(=O)NCC[N@@H+]1CCCOCC1 ZINC000189472493 386013213 /nfs/dbraw/zinc/01/32/13/386013213.db2.gz MDHVCXJBBQFGCF-NSHDSACASA-N 1 0 244.335 0.107 10 0 BCAERO Cc1c[nH]nc1C[N@@H+]1CC[C@H](CCO)C1 ZINC000356125476 386032692 /nfs/dbraw/zinc/03/26/92/386032692.db2.gz KWQQCHUNHPWVNX-SNVBAGLBSA-N 1 0 209.293 0.922 10 0 BCAERO C[NH+](C)[C@@H]1CCN(C(=O)c2cccnc2F)C1 ZINC000234263194 386042886 /nfs/dbraw/zinc/04/28/86/386042886.db2.gz KTAFRFMIUTXYRE-SECBINFHSA-N 1 0 237.278 0.997 10 0 BCAERO C[S@](=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000575563525 386046001 /nfs/dbraw/zinc/04/60/01/386046001.db2.gz OORSUPJOWUJFEL-RWEMILLDSA-N 1 0 202.323 0.211 10 0 BCAERO CCN(CC)C(=O)CN(C)[C@@H]1CCC[NH2+]CC1 ZINC000129486435 386079067 /nfs/dbraw/zinc/07/90/67/386079067.db2.gz GKBPTONWSVJFME-GFCCVEGCSA-N 1 0 241.379 0.929 10 0 BCAERO CS[C@@H]1CC[C@H]1N1CC[C@H]([NH3+])C1=O ZINC000575566411 386088864 /nfs/dbraw/zinc/08/88/64/386088864.db2.gz RLXVUYKFLBGNSS-XLPZGREQSA-N 1 0 200.307 0.440 10 0 BCAERO [NH3+][C@]1(C2CC2)CCCS(=O)(=O)CC1 ZINC000575567671 386094343 /nfs/dbraw/zinc/09/43/43/386094343.db2.gz KEGVPLWTKYAFTF-SECBINFHSA-N 1 0 203.307 0.693 10 0 BCAERO CCC[C@H](NC(=O)C1CCC([NH3+])CC1)C(N)=O ZINC000310264980 386171119 /nfs/dbraw/zinc/17/11/19/386171119.db2.gz AVLGAICRKLACRF-RTBKNWGFSA-N 1 0 241.335 0.274 10 0 BCAERO CCOC[C@H](O)C[N@@H+]1CCC[C@@H]1CCCO ZINC000068951094 386130906 /nfs/dbraw/zinc/13/09/06/386130906.db2.gz BIHKERGCQCJGSF-VXGBXAGGSA-N 1 0 231.336 0.621 10 0 BCAERO Cn1ccc(C[NH2+]C[C@@H]2CCC[C@H]2O)n1 ZINC000097604824 386133059 /nfs/dbraw/zinc/13/30/59/386133059.db2.gz MGBJLEHGDVFSBA-GXSJLCMTSA-N 1 0 209.293 0.671 10 0 BCAERO [NH3+][C@@H]1CCC[C@@H]1[S@](=O)[C@@H]1CCOC1 ZINC000575578192 386213205 /nfs/dbraw/zinc/21/32/05/386213205.db2.gz SRECYEQOIQCHAT-RVBSWOSCSA-N 1 0 203.307 0.404 10 0 BCAERO O=C(NC1CSC1)[C@H]1CCC[NH2+]C1 ZINC000575579527 386224699 /nfs/dbraw/zinc/22/46/99/386224699.db2.gz MJYWJEGRPFRPPY-ZETCQYMHSA-N 1 0 200.307 0.218 10 0 BCAERO C[C@@H]([NH3+])CCNC(=O)CCc1ccncc1 ZINC000132617673 386246992 /nfs/dbraw/zinc/24/69/92/386246992.db2.gz BJBSVVIEUWHFCU-SNVBAGLBSA-N 1 0 221.304 0.868 10 0 BCAERO Cc1c(C[NH2+]C[C@H]2CC[C@@H](O)C2)cnn1C ZINC000235816086 386193566 /nfs/dbraw/zinc/19/35/66/386193566.db2.gz CLLBSQUXCTXRSP-CMPLNLGQSA-N 1 0 223.320 0.979 10 0 BCAERO O[C@@H]1CC[C@H]2C[N@H+](CC3(O)CCC3)C[C@@H]2C1 ZINC000425522912 386324279 /nfs/dbraw/zinc/32/42/79/386324279.db2.gz BYGXNTDVRHUYSE-SDDRHHMPSA-N 1 0 225.332 0.994 10 0 BCAERO CCO[C@@H]1C[C@@H]1C(=O)N1CCCC[C@H]1C[NH3+] ZINC000262547080 386283947 /nfs/dbraw/zinc/28/39/47/386283947.db2.gz MOSSQNYKIUPGJC-GARJFASQSA-N 1 0 226.320 0.751 10 0 BCAERO COC(=O)C1(NC(=O)OC(C)(C)C)C[NH2+]C1 ZINC000263619891 386299005 /nfs/dbraw/zinc/29/90/05/386299005.db2.gz JHJPQJYZJFHADH-UHFFFAOYSA-N 1 0 230.264 0.026 10 0 BCAERO CN(Cc1cnn(C)c1)C(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000091546732 386300155 /nfs/dbraw/zinc/30/01/55/386300155.db2.gz JDYUXUQUHYSFRD-MNOVXSKESA-N 1 0 236.319 0.506 10 0 BCAERO CN(Cc1cnn(C)c1)C(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000091546735 386300651 /nfs/dbraw/zinc/30/06/51/386300651.db2.gz JDYUXUQUHYSFRD-WDEREUQCSA-N 1 0 236.319 0.506 10 0 BCAERO Cc1cnc(C[N@@H+]2CC[C@H](CCO)C2)cn1 ZINC000336697125 386377923 /nfs/dbraw/zinc/37/79/23/386377923.db2.gz HTWDCBNETUGWAG-LLVKDONJSA-N 1 0 221.304 0.989 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N[C@@H]1CCN(C(=O)CC)C1 ZINC000236913264 386325951 /nfs/dbraw/zinc/32/59/51/386325951.db2.gz VSYIYNZLTAGETI-ZJUUUORDSA-N 1 0 241.335 0.241 10 0 BCAERO Cc1nnc(N[C@@H](CC[NH3+])C(F)F)nc1C ZINC000394812591 386442810 /nfs/dbraw/zinc/44/28/10/386442810.db2.gz PGMFIUSBVMYSLK-ZETCQYMHSA-N 1 0 231.250 0.883 10 0 BCAERO CC(C)NC(=O)CC[N@@H+]1C[C@H](O)CC[C@H]1C ZINC000399198362 386447779 /nfs/dbraw/zinc/44/77/79/386447779.db2.gz BNLLRMVOTHVFIJ-GHMZBOCLSA-N 1 0 228.336 0.746 10 0 BCAERO O=C1CCCN1CC[N@H+]1CC[C@@H](CCO)C1 ZINC000336708616 386417554 /nfs/dbraw/zinc/41/75/54/386417554.db2.gz VQUWKTYSYPZINH-NSHDSACASA-N 1 0 226.320 0.313 10 0 BCAERO O=C([C@H]1CC[NH2+]C1)N1CCCSCC1 ZINC000062116409 386503303 /nfs/dbraw/zinc/50/33/03/386503303.db2.gz LXTLACCQOGQENK-VIFPVBQESA-N 1 0 214.334 0.561 10 0 BCAERO CC[C@@H](C)[C@H]([NH3+])C(=O)N1CCn2ccnc2C1 ZINC000062254574 386506718 /nfs/dbraw/zinc/50/67/18/386506718.db2.gz CTVWTCINZUDBMM-KOLCDFICSA-N 1 0 236.319 0.599 10 0 BCAERO C(Nc1nc(C2CC2)ns1)[C@@H]1C[NH2+]CCO1 ZINC000227786631 386513799 /nfs/dbraw/zinc/51/37/99/386513799.db2.gz OENWWSZIZQRRBV-QMMMGPOBSA-N 1 0 240.332 0.816 10 0 BCAERO CCc1nnc(CN2CC[C@H]([C@@H](C)[NH3+])C2)n1C ZINC000519651866 386519279 /nfs/dbraw/zinc/51/92/79/386519279.db2.gz GWRNEADEMPYODS-ZJUUUORDSA-N 1 0 237.351 0.547 10 0 BCAERO CC[C@H](C)NC(=O)C[N@@H+]1C[C@H](O)CC[C@@H]1C ZINC000399211576 386458282 /nfs/dbraw/zinc/45/82/82/386458282.db2.gz GGOHOZAEGKUREK-GARJFASQSA-N 1 0 228.336 0.746 10 0 BCAERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)NCC1CCOCC1 ZINC000094648463 386465390 /nfs/dbraw/zinc/46/53/90/386465390.db2.gz MYEDCIGPMKJLKY-CMPLNLGQSA-N 1 0 240.347 0.917 10 0 BCAERO CCO[C@@H]1C[C@@H]1C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000262613023 386532043 /nfs/dbraw/zinc/53/20/43/386532043.db2.gz YRKUHTCZTOJEJF-GRYCIOLGSA-N 1 0 240.347 0.917 10 0 BCAERO C[NH+](C)[C@H]1CCN(C(=O)C2(C[NH3+])CCCC2)C1 ZINC000062967577 386536129 /nfs/dbraw/zinc/53/61/29/386536129.db2.gz RUKISHLNPJJBNL-NSHDSACASA-N 1 0 239.363 0.668 10 0 BCAERO CN1CCO[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC000128856993 386546590 /nfs/dbraw/zinc/54/65/90/386546590.db2.gz NQCDAVOSNIEBIE-ZJUUUORDSA-N 1 0 242.319 0.936 10 0 BCAERO CN1CCO[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 ZINC000128857208 386546624 /nfs/dbraw/zinc/54/66/24/386546624.db2.gz NQCDAVOSNIEBIE-UWVGGRQHSA-N 1 0 242.319 0.936 10 0 BCAERO CC(C)n1ccnc1CN(C)C[C@H](O)C[NH3+] ZINC000519757107 386546700 /nfs/dbraw/zinc/54/67/00/386546700.db2.gz GYRYJXABIWUZLW-SNVBAGLBSA-N 1 0 226.324 0.215 10 0 BCAERO CCN(CC(=O)OC)C(=O)[C@@]1(C)CCC[NH2+]1 ZINC000519766728 386552555 /nfs/dbraw/zinc/55/25/55/386552555.db2.gz VASGSUSFZDXMBN-LLVKDONJSA-N 1 0 228.292 0.150 10 0 BCAERO Cc1oncc1C[NH2+][C@@H]1CCC(=O)N[C@H]1C ZINC000336756224 386559189 /nfs/dbraw/zinc/55/91/89/386559189.db2.gz YJZDUBUZCRMPMT-OIBJUYFYSA-N 1 0 223.276 0.740 10 0 BCAERO CO[C@H]1C[C@@H](CO)[N@H+](CCCSC)C1 ZINC000308569101 386559319 /nfs/dbraw/zinc/55/93/19/386559319.db2.gz JGHGZFASEJJGMY-UWVGGRQHSA-N 1 0 219.350 0.821 10 0 BCAERO C[C@H]([NH3+])C(=O)NC1(CO)CCC(C)CC1 ZINC000053127302 168155930 /nfs/dbraw/zinc/15/59/30/168155930.db2.gz JEOFRXURZVZCBJ-YUCVTWSNSA-N 1 0 214.309 0.391 10 0 BCAERO CC(C)[C@H](C(=O)NC[C@@H]1CCC[C@@H]1O)[C@H](C)[NH3+] ZINC000399416128 386559820 /nfs/dbraw/zinc/55/98/20/386559820.db2.gz CPLAKXXNHJNHEK-BJDJZHNGSA-N 1 0 242.363 0.883 10 0 BCAERO CC(C)[C@H](C(=O)NC[C@@H]1CCC[C@@H]1O)[C@@H](C)[NH3+] ZINC000399416131 386560369 /nfs/dbraw/zinc/56/03/69/386560369.db2.gz CPLAKXXNHJNHEK-RHYQMDGZSA-N 1 0 242.363 0.883 10 0 BCAERO Cn1cc(CNC(=O)[C@@]2(C)CCCC[NH2+]2)cn1 ZINC000136180832 386568676 /nfs/dbraw/zinc/56/86/76/386568676.db2.gz AMSWVZXCEPQOJO-GFCCVEGCSA-N 1 0 236.319 0.569 10 0 BCAERO [NH3+][C@H]1C[C@@H](C(=O)NC[C@@H]2CCC[C@@H]2O)C1 ZINC000648045674 386569428 /nfs/dbraw/zinc/56/94/28/386569428.db2.gz QXOKMCQZQZRSAF-QEYWKRMJSA-N 1 0 212.293 0.001 10 0 BCAERO CCC[C@H](C(=O)N[C@@H]1CCOC1)[NH+](C)C ZINC000179265199 386631154 /nfs/dbraw/zinc/63/11/54/386631154.db2.gz WPGSCXAWIIYQHZ-NXEZZACHSA-N 1 0 214.309 0.622 10 0 BCAERO CCC[C@H](C(=O)N[C@H]1CCOC1)[NH+](C)C ZINC000179265217 386631593 /nfs/dbraw/zinc/63/15/93/386631593.db2.gz WPGSCXAWIIYQHZ-VHSXEESVSA-N 1 0 214.309 0.622 10 0 BCAERO Cc1cnccc1C[NH2+]C[C@@H]1CN(C)CCO1 ZINC000228674101 386599819 /nfs/dbraw/zinc/59/98/19/386599819.db2.gz ITWAHHNHIKMESH-CYBMUJFWSA-N 1 0 235.331 0.810 10 0 BCAERO [NH3+][C@H]1C[C@@H](C(=O)NC[C@@H]2CCCC[C@H]2O)C1 ZINC000648087731 386676933 /nfs/dbraw/zinc/67/69/33/386676933.db2.gz CCCWCBDDTIXUTB-UKKRHICBSA-N 1 0 226.320 0.391 10 0 BCAERO C[C@H](O)C[N@@H+]1CCN(Cc2ncc[nH]2)C[C@H]1C ZINC000247402890 386712831 /nfs/dbraw/zinc/71/28/31/386712831.db2.gz BMIJCIMYAREFKQ-MNOVXSKESA-N 1 0 238.335 0.297 10 0 BCAERO CC(C)[N@H+](C)C[C@@H](O)CN1[C@H](C)COC[C@@H]1C ZINC000647965235 386747535 /nfs/dbraw/zinc/74/75/35/386747535.db2.gz NKEZKQNTWBTYGQ-FRRDWIJNSA-N 1 0 244.379 0.797 10 0 BCAERO CC(C)[N@H+](C)C[C@H](O)CN1[C@H](C)COC[C@H]1C ZINC000647965236 386749788 /nfs/dbraw/zinc/74/97/88/386749788.db2.gz NKEZKQNTWBTYGQ-UPJWGTAASA-N 1 0 244.379 0.797 10 0 BCAERO CC(C)[N@H+](C)C[C@H](O)CN1[C@H](C)COC[C@@H]1C ZINC000647965237 386749895 /nfs/dbraw/zinc/74/98/95/386749895.db2.gz NKEZKQNTWBTYGQ-XQQFMLRXSA-N 1 0 244.379 0.797 10 0 BCAERO C[NH2+][C@H]1CS(=O)(=O)C[C@@H]1c1ccccc1 ZINC000004226954 386750326 /nfs/dbraw/zinc/75/03/26/386750326.db2.gz HZXZFHAKTGWFGM-MNOVXSKESA-N 1 0 225.313 0.787 10 0 BCAERO CS[C@@H](C)CNC(=O)C1(C[NH3+])CCOCC1 ZINC000122404906 386752232 /nfs/dbraw/zinc/75/22/32/386752232.db2.gz LQTNXFQWOAMZOV-VIFPVBQESA-N 1 0 246.376 0.610 10 0 BCAERO C[C@@H]1OCC[C@H]1NC(=O)N1CC[NH2+]C[C@H]1C ZINC000417956326 386770017 /nfs/dbraw/zinc/77/00/17/386770017.db2.gz SQSQPIOOQZSQED-KXUCPTDWSA-N 1 0 227.308 0.167 10 0 BCAERO C[C@@H]1OCC[C@@H]1NC(=O)N1CC[NH2+]C[C@@H]1C ZINC000417956324 386770492 /nfs/dbraw/zinc/77/04/92/386770492.db2.gz SQSQPIOOQZSQED-GUBZILKMSA-N 1 0 227.308 0.167 10 0 BCAERO C[C@@H]1OCC[C@@H]1NC(=O)N1CC[NH2+]C[C@H]1C ZINC000417956329 386770721 /nfs/dbraw/zinc/77/07/21/386770721.db2.gz SQSQPIOOQZSQED-UTLUCORTSA-N 1 0 227.308 0.167 10 0 BCAERO O=C(N[C@@H]1CCSC1)[C@@H]1CC[NH2+]C1 ZINC000226357968 386774784 /nfs/dbraw/zinc/77/47/84/386774784.db2.gz KVXIOFZBSJVKCL-HTQZYQBOSA-N 1 0 200.307 0.218 10 0 BCAERO [NH3+][C@@H]1CC[C@H]([S@](=O)[C@H]2CCOC2)C1 ZINC000575450827 386786633 /nfs/dbraw/zinc/78/66/33/386786633.db2.gz KYZCLOMVYUFOND-LWIGBJQBSA-N 1 0 203.307 0.404 10 0 BCAERO Cn1nc(Br)cc1C(N)=[NH2+] ZINC000575451598 386801831 /nfs/dbraw/zinc/80/18/31/386801831.db2.gz SBWLVVNMSABROK-UHFFFAOYSA-N 1 0 203.043 0.467 10 0 BCAERO CC[C@H]1C[N@H+](C[C@@H](C)O)CCN1CCOC ZINC000192978939 386805654 /nfs/dbraw/zinc/80/56/54/386805654.db2.gz DUMOOPOHGTUEQU-NEPJUHHUSA-N 1 0 230.352 0.410 10 0 BCAERO CC[C@@H]1CN(C[C@@H](C)O)CC[N@@H+]1C[C@@H](C)O ZINC000192978888 386807287 /nfs/dbraw/zinc/80/72/87/386807287.db2.gz CQCLNKBFEREZFI-IJLUTSLNSA-N 1 0 230.352 0.144 10 0 BCAERO C[C@H]1OCC[C@H]1[NH2+]CC(=O)Nc1nccs1 ZINC000292302867 386825989 /nfs/dbraw/zinc/82/59/89/386825989.db2.gz MXKQXPNHHOZQBD-HTQZYQBOSA-N 1 0 241.316 0.849 10 0 BCAERO Cc1ccnc(N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)n1 ZINC000301688563 386868150 /nfs/dbraw/zinc/86/81/50/386868150.db2.gz XTACKNIWIQGXJM-MNOVXSKESA-N 1 0 234.303 0.304 10 0 BCAERO CC[C@@H](C(=O)OC)[N@@H+]1CC[C@H](CCO)C1 ZINC000357954671 386869297 /nfs/dbraw/zinc/86/92/97/386869297.db2.gz VYIYWMSXTCRHCA-ZJUUUORDSA-N 1 0 215.293 0.642 10 0 BCAERO Cc1cnc(N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)nc1 ZINC000301826963 386881499 /nfs/dbraw/zinc/88/14/99/386881499.db2.gz FLRSHCFZKIGMQW-GHMZBOCLSA-N 1 0 234.303 0.304 10 0 BCAERO CO[C@H](C)[C@H](C)[NH2+][C@@H]1CCC(=O)N[C@@H]1C ZINC000336762584 386930231 /nfs/dbraw/zinc/93/02/31/386930231.db2.gz NYBMCFZVYSXJNI-SGIHWFKDSA-N 1 0 214.309 0.667 10 0 BCAERO CCNC(=O)C[N@@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000398733963 386975921 /nfs/dbraw/zinc/97/59/21/386975921.db2.gz MEBQDUHGSDGSCM-DCAQKATOSA-N 1 0 226.320 0.215 10 0 BCAERO CS[C@@H](C)C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000116787772 386977378 /nfs/dbraw/zinc/97/73/78/386977378.db2.gz XSKKNQLODBBKHW-VHSXEESVSA-N 1 0 246.376 0.527 10 0 BCAERO O[C@@H]1CC[C@@H]2C[N@H+](CCn3ccnc3)C[C@H]2C1 ZINC000398781686 386990708 /nfs/dbraw/zinc/99/07/08/386990708.db2.gz KIOIZIPAXZKLAM-JHJVBQTASA-N 1 0 235.331 0.976 10 0 BCAERO OCCOCC[N@@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000398820077 387001479 /nfs/dbraw/zinc/00/14/79/387001479.db2.gz YORUYJDMGZXNGS-SRVKXCTJSA-N 1 0 229.320 0.088 10 0 BCAERO c1nc2ncnc(NCC[C@@H]3CC[NH2+]C3)c2[nH]1 ZINC000104364540 387002417 /nfs/dbraw/zinc/00/24/17/387002417.db2.gz WBOLNBCKSQIKRE-QMMMGPOBSA-N 1 0 232.291 0.764 10 0 BCAERO CC(=[NH2+])N[C@H]1CCCS(=O)(=O)CC1 ZINC000575461379 387031456 /nfs/dbraw/zinc/03/14/56/387031456.db2.gz BYEBJCINFFZHTQ-QMMMGPOBSA-N 1 0 204.295 0.540 10 0 BCAERO O=S1(=O)CCC([C@@H]2C=CC[NH2+]2)CC1 ZINC000575462352 387033907 /nfs/dbraw/zinc/03/39/07/387033907.db2.gz GBYYDGROHYPPSN-VIFPVBQESA-N 1 0 201.291 0.339 10 0 BCAERO CCc1ccc(O)c(NC(=O)[C@H]([NH3+])COC)c1 ZINC000160021573 387041555 /nfs/dbraw/zinc/04/15/55/387041555.db2.gz QOTRUHCHEKFOOL-SECBINFHSA-N 1 0 238.287 0.867 10 0 BCAERO [NH3+][C@@H](c1cncs1)[C@@H]1COCCO1 ZINC000575464130 387045045 /nfs/dbraw/zinc/04/50/45/387045045.db2.gz FJLBHRXYGMUASA-POYBYMJQSA-N 1 0 200.263 0.558 10 0 BCAERO NC(=S)C[N@@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000575464292 387045064 /nfs/dbraw/zinc/04/50/64/387045064.db2.gz JPQCQWKXWGWMRA-SFYZADRCSA-N 1 0 200.307 0.383 10 0 BCAERO C[C@@H]1C[C@@]1(C)[NH2+][C@@H]1CCS(=O)(=O)C1 ZINC000575580184 387049776 /nfs/dbraw/zinc/04/97/76/387049776.db2.gz QPLXDITWAYEVMS-IWSPIJDZSA-N 1 0 203.307 0.562 10 0 BCAERO C[C@@H]1[NH2+]CC[C@@H]1C(=O)NC1CSC1 ZINC000575580100 387050734 /nfs/dbraw/zinc/05/07/34/387050734.db2.gz OZJMPZHNFAAABR-XPUUQOCRSA-N 1 0 200.307 0.216 10 0 BCAERO C[C@H]1[NH2+]CC[C@@H]1C(=O)NC1CSC1 ZINC000575580099 387051092 /nfs/dbraw/zinc/05/10/92/387051092.db2.gz OZJMPZHNFAAABR-SVRRBLITSA-N 1 0 200.307 0.216 10 0 BCAERO C[S@](=O)N1C[C@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000575584217 387062455 /nfs/dbraw/zinc/06/24/55/387062455.db2.gz OORSUPJOWUJFEL-RVBZMBCESA-N 1 0 202.323 0.211 10 0 BCAERO O[C@H]1COCC[C@H]1[NH2+]Cc1ccccc1 ZINC000575465763 387062575 /nfs/dbraw/zinc/06/25/75/387062575.db2.gz UTSLYINVZSXZEP-NEPJUHHUSA-N 1 0 207.273 0.926 10 0 BCAERO C[C@H]1NC(=O)CC[C@@H]1[NH2+]Cc1ccno1 ZINC000389592035 387069165 /nfs/dbraw/zinc/06/91/65/387069165.db2.gz MNHJUFVATJCWLU-APPZFPTMSA-N 1 0 209.249 0.431 10 0 BCAERO CSC[C@H](C)NC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188599653 387072582 /nfs/dbraw/zinc/07/25/82/387072582.db2.gz XEOARHYKACSQLH-BIIVOSGPSA-N 1 0 220.313 0.554 10 0 BCAERO CCO[C@@H]1C[C@@H]([NH2+]CCCO)C12CCOCC2 ZINC000186199810 387076904 /nfs/dbraw/zinc/07/69/04/387076904.db2.gz YMERISKSGMUYOO-VXGBXAGGSA-N 1 0 243.347 0.933 10 0 BCAERO COc1nc([C@H]2COC[C@@H]2[NH3+])cs1 ZINC000575468144 387081747 /nfs/dbraw/zinc/08/17/47/387081747.db2.gz ZBAZRLNCILCXOC-WDSKDSINSA-N 1 0 200.263 0.593 10 0 BCAERO C[C@@H]1C[C@@]1([NH3+])C[C@@H]1CCCS1(=O)=O ZINC000575468699 387087595 /nfs/dbraw/zinc/08/75/95/387087595.db2.gz NJNAYNZUJVNQHI-HRDYMLBCSA-N 1 0 203.307 0.691 10 0 BCAERO O[C@H](c1ccns1)[C@@H]1C[NH2+]CCO1 ZINC000575469381 387091153 /nfs/dbraw/zinc/09/11/53/387091153.db2.gz OGEMGVSZBCOPID-XPUUQOCRSA-N 1 0 200.263 0.165 10 0 BCAERO [NH3+][C@@H]1CCN(c2ccc(Br)nn2)C1 ZINC000575469743 387093666 /nfs/dbraw/zinc/09/36/66/387093666.db2.gz HVDFVLXQYLUCLT-ZCFIWIBFSA-N 1 0 243.108 0.777 10 0 BCAERO O[C@@H](c1cnsc1)[C@@H]1C[NH2+]CCO1 ZINC000575472491 387104429 /nfs/dbraw/zinc/10/44/29/387104429.db2.gz IOHOMPIIQYQEDD-YUMQZZPRSA-N 1 0 200.263 0.165 10 0 BCAERO [NH3+][C@]1(c2cccs2)CCS(=O)(=O)C1 ZINC000575472439 387104451 /nfs/dbraw/zinc/10/44/51/387104451.db2.gz QUXSGCVNOZKPNM-MRVPVSSYSA-N 1 0 217.315 0.721 10 0 BCAERO COc1cc([C@@H]2C[C@@H]([NH3+])CO2)sn1 ZINC000575472448 387104551 /nfs/dbraw/zinc/10/45/51/387104551.db2.gz RIYUTDPFFBHBQM-RITPCOANSA-N 1 0 200.263 0.940 10 0 BCAERO CC[S@@](=O)N1CCCCC[C@H]([NH3+])C1 ZINC000575471949 387110670 /nfs/dbraw/zinc/11/06/70/387110670.db2.gz LFJMWNFGDUUYPF-TVQRCGJNSA-N 1 0 204.339 0.873 10 0 BCAERO CC[C@@](C)(O)C[N@@H+]1C[C@@H](CO)OC(C)(C)C1 ZINC000228938435 387128991 /nfs/dbraw/zinc/12/89/91/387128991.db2.gz FIDZFFPOHLBJPV-CMPLNLGQSA-N 1 0 231.336 0.619 10 0 BCAERO CC1(c2nnc(C3CCOCC3)o2)C[NH2+]C1 ZINC000536948748 387160742 /nfs/dbraw/zinc/16/07/42/387160742.db2.gz PFNFCJUKNCBHMD-UHFFFAOYSA-N 1 0 223.276 0.825 10 0 BCAERO CC1(C)[C@H]([NH3+])[C@@H]2CCCS(=O)(=O)[C@H]21 ZINC000536953316 387165726 /nfs/dbraw/zinc/16/57/26/387165726.db2.gz HCQQMMJHCASZLZ-XLPZGREQSA-N 1 0 203.307 0.547 10 0 BCAERO COC(=O)[C@H]1CC[C@@H](C[NH3+])N1c1ccn(C)c1 ZINC000536955761 387169514 /nfs/dbraw/zinc/16/95/14/387169514.db2.gz STWYPOYFOIOCAV-GXSJLCMTSA-N 1 0 237.303 0.494 10 0 BCAERO CCn1cc([C@@H]2[NH2+]C[C@]23CCOC3)cn1 ZINC000536957677 387171322 /nfs/dbraw/zinc/17/13/22/387171322.db2.gz CVIVEVZPEPSLBR-QWRGUYRKSA-N 1 0 207.277 0.954 10 0 BCAERO Cn1ncc(N[C@@H]2CC[NH2+]C2)c1Br ZINC000575479449 387175977 /nfs/dbraw/zinc/17/59/77/387175977.db2.gz NNNAZENUIVYLPS-ZCFIWIBFSA-N 1 0 245.124 0.956 10 0 BCAERO O[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CCSC1 ZINC000575588950 387184140 /nfs/dbraw/zinc/18/41/40/387184140.db2.gz KVHLJOYYHUGFBS-HRDYMLBCSA-N 1 0 203.307 0.231 10 0 BCAERO Cc1cc([C@@H]([NH3+])CC(N)=O)cc(Cl)n1 ZINC000306510280 387227518 /nfs/dbraw/zinc/22/75/18/387227518.db2.gz CWLGEVYICJTWOZ-ZETCQYMHSA-N 1 0 213.668 0.919 10 0 BCAERO Cc1ccc(C[N@@H+]2CCC[C@@](O)(C(N)=O)C2)cc1 ZINC000284875814 387237041 /nfs/dbraw/zinc/23/70/41/387237041.db2.gz QFOCEIBQOXDBDG-AWEZNQCLSA-N 1 0 248.326 0.807 10 0 BCAERO C[C@H]([NH2+][C@H]1CCC(=O)N[C@H]1C)c1nccn1C ZINC000393066774 387311501 /nfs/dbraw/zinc/31/15/01/387311501.db2.gz YACSCAWKKBXBLE-GUBZILKMSA-N 1 0 236.319 0.738 10 0 BCAERO C[C@@H]([NH2+]C[C@H]1CN(C)CCO1)c1ccnn1C ZINC000192252176 387315876 /nfs/dbraw/zinc/31/58/76/387315876.db2.gz GQWCKBOIKGTNQQ-MNOVXSKESA-N 1 0 238.335 0.401 10 0 BCAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1nncn1C ZINC000162106574 387316977 /nfs/dbraw/zinc/31/69/77/387316977.db2.gz MLEHTSREFRHFHO-NWDGAFQWSA-N 1 0 249.362 0.874 10 0 BCAERO COC(=O)c1ccc(N[C@H](C)C[C@H](C)[NH3+])nn1 ZINC000320353944 387262319 /nfs/dbraw/zinc/26/23/19/387262319.db2.gz OQEWBMIOCOIMAR-JGVFFNPUSA-N 1 0 238.291 0.801 10 0 BCAERO C[C@@H]1C[NH+](CC(N)=S)C[C@@H](C)C1O ZINC000575491259 387276266 /nfs/dbraw/zinc/27/62/66/387276266.db2.gz UIBFHOLUDSWING-RNFRBKRXSA-N 1 0 202.323 0.221 10 0 BCAERO C[C@H]1NC(=O)CC[C@H]1[NH2+]Cc1ccc(CO)cc1 ZINC000392990829 387306882 /nfs/dbraw/zinc/30/68/82/387306882.db2.gz ZACOOTRMTWYCGY-ZWNOBZJWSA-N 1 0 248.326 0.936 10 0 BCAERO CC(C)CNC(=O)C[NH2+][C@@H]1CCC(=O)N[C@@H]1C ZINC000393027988 387309157 /nfs/dbraw/zinc/30/91/57/387309157.db2.gz VBUDKKVBUHWJRX-NXEZZACHSA-N 1 0 241.335 0.015 10 0 BCAERO O=C(NCc1ccccc1)[C@]12C[C@H]1C[NH2+]C2 ZINC000575504361 387356318 /nfs/dbraw/zinc/35/63/18/387356318.db2.gz IQPUSCFHCXOQOM-AAEUAGOBSA-N 1 0 216.284 0.912 10 0 BCAERO Cc1cnn(C)c1C[NH2+][C@H]1CCO[C@H]1C ZINC000286245668 387319794 /nfs/dbraw/zinc/31/97/94/387319794.db2.gz ZSVKXJZBEPOEQY-UWVGGRQHSA-N 1 0 209.293 0.996 10 0 BCAERO Cc1cnn(C)c1C[NH2+]C[C@@H]1CCC[C@@H]1O ZINC000286688430 387337260 /nfs/dbraw/zinc/33/72/60/387337260.db2.gz VWAZEVBOSUCARB-JQWIXIFHSA-N 1 0 223.320 0.979 10 0 BCAERO CN(C[C@H]1CCOC1)C(=O)[C@@]1(C)CCC[NH2+]1 ZINC000398842201 387348330 /nfs/dbraw/zinc/34/83/30/387348330.db2.gz JZPAOQJTWWNOIH-ZYHUDNBSSA-N 1 0 226.320 0.623 10 0 BCAERO [NH3+]C[C@@H]1CO[C@]2(CCCSCC2)O1 ZINC000575516978 387425826 /nfs/dbraw/zinc/42/58/26/387425826.db2.gz BSDGGLZFFNMMJA-RKDXNWHRSA-N 1 0 203.307 0.974 10 0 BCAERO [NH3+][C@H]1CN([C@@H]2CCCSCC2)C1=O ZINC000575517701 387433645 /nfs/dbraw/zinc/43/36/45/387433645.db2.gz HRAOLGVPBONXBC-SFYZADRCSA-N 1 0 200.307 0.442 10 0 BCAERO Cn1c(Cl)cnc1[C@H]1C[C@@H]([NH3+])CO1 ZINC000575508779 387391476 /nfs/dbraw/zinc/39/14/76/387391476.db2.gz SLEOBYYWNWJAMR-PHDIDXHHSA-N 1 0 201.657 0.862 10 0 BCAERO Cn1c(Cl)ncc1[C@H](O)C(C)(C)[NH3+] ZINC000575508694 387392153 /nfs/dbraw/zinc/39/21/53/387392153.db2.gz RYLOGLHMEPFJHA-LURJTMIESA-N 1 0 203.673 0.844 10 0 BCAERO Cn1nc(Br)cc1[C@@H]1C[C@@H]([NH3+])CO1 ZINC000575509205 387392954 /nfs/dbraw/zinc/39/29/54/387392954.db2.gz SPCXLWIKJYFHHA-VDTYLAMSSA-N 1 0 246.108 0.971 10 0 BCAERO C[C@H]1C/C(=C\CS(C)(=O)=O)CC[NH2+]1 ZINC000575515104 387420651 /nfs/dbraw/zinc/42/06/51/387420651.db2.gz NUUGRYBXNBPBGM-ZKUGPGMGSA-N 1 0 203.307 0.729 10 0 BCAERO CC(C)(O)C[NH+](CCCO)CC(C)(C)O ZINC000584599664 387501290 /nfs/dbraw/zinc/50/12/90/387501290.db2.gz HZKLQORFWQZSKI-UHFFFAOYSA-N 1 0 219.325 0.213 10 0 BCAERO OC1(CC[NH2+]CC2(O)CCOCC2)CCC1 ZINC000396914734 387513183 /nfs/dbraw/zinc/51/31/83/387513183.db2.gz MTKQRXXKAYXSGJ-UHFFFAOYSA-N 1 0 229.320 0.423 10 0 BCAERO CC(C)=CC[C@@]1([NH3+])CCS(=O)(=O)C1 ZINC000575529498 387540877 /nfs/dbraw/zinc/54/08/77/387540877.db2.gz XLSBGIIEIKUSBG-SECBINFHSA-N 1 0 203.307 0.859 10 0 BCAERO O[C@@H]1COCC[C@@H]1[NH2+]Cc1ccncc1 ZINC000623765935 387592715 /nfs/dbraw/zinc/59/27/15/387592715.db2.gz ZJWVLOHOJBMALL-WDEREUQCSA-N 1 0 208.261 0.321 10 0 BCAERO C[C@]12C[NH2+]C[C@@H]1CN(C(=O)C(F)(F)F)C2 ZINC000575545524 387628923 /nfs/dbraw/zinc/62/89/23/387628923.db2.gz MKEFRACLHGBTHQ-HTRCEHHLSA-N 1 0 222.210 0.617 10 0 BCAERO Cn1ncc(Cl)c1[C@H]1COC[C@@H]1[NH3+] ZINC000575531358 387547058 /nfs/dbraw/zinc/54/70/58/387547058.db2.gz PKNUXUCMWCDKAT-FSPLSTOPSA-N 1 0 201.657 0.515 10 0 BCAERO CC(C)[C@H](C(=O)N[C@@H]1CCO[C@H]1C)[C@H](C)[NH3+] ZINC000399535450 387553825 /nfs/dbraw/zinc/55/38/25/387553825.db2.gz UKLGCOAIVDMJHS-MMWGEVLESA-N 1 0 228.336 0.899 10 0 BCAERO C[C@@H]1CC[C@@]2(CS1)OC[C@H](C[NH3+])O2 ZINC000575533698 387553832 /nfs/dbraw/zinc/55/38/32/387553832.db2.gz DYKBIMPBWQNXPN-HRDYMLBCSA-N 1 0 203.307 0.972 10 0 BCAERO O=C(NC1CCC1)[C@H]1C[NH2+]CCS1 ZINC000575534059 387555900 /nfs/dbraw/zinc/55/59/00/387555900.db2.gz NBSJJCIZQJFJNE-MRVPVSSYSA-N 1 0 200.307 0.360 10 0 BCAERO C[C@@H]([NH3+])C(=O)N[C@@H]1CC[C@H](C)SC1 ZINC000575534196 387556493 /nfs/dbraw/zinc/55/64/93/387556493.db2.gz IBWLKMKHUSBMJI-XLPZGREQSA-N 1 0 202.323 0.734 10 0 BCAERO CC(C)C[C@@]1([NH3+])CCS(=O)(=O)[C@@H]1C ZINC000575550175 387641627 /nfs/dbraw/zinc/64/16/27/387641627.db2.gz QKDFXFRTFFNGQF-BDAKNGLRSA-N 1 0 205.323 0.937 10 0 BCAERO C[C@@H]1C[C@]1(C[NH3+])[C@@H]1CCS(=O)(=O)C1 ZINC000575550332 387643040 /nfs/dbraw/zinc/64/30/40/387643040.db2.gz SMGZTXFBKCCVNZ-IWSPIJDZSA-N 1 0 203.307 0.406 10 0 BCAERO CN(C)C[C@H](O)C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000305776414 387650617 /nfs/dbraw/zinc/65/06/17/387650617.db2.gz KRCXUJGAFZSWEQ-KXNHARMFSA-N 1 0 242.363 0.312 10 0 BCAERO [NH3+][C@@H]1CCC[C@@H]1C(=O)NC1CSC1 ZINC000575553833 387658513 /nfs/dbraw/zinc/65/85/13/387658513.db2.gz KAPTVUTXKUQLSQ-JGVFFNPUSA-N 1 0 200.307 0.345 10 0 BCAERO C[C@H](C[NH2+][C@@H](C)[C@@H]1CCOC1)N1CCOCC1 ZINC000123279840 387671966 /nfs/dbraw/zinc/67/19/66/387671966.db2.gz NUKVPYTUNAWXTR-FRRDWIJNSA-N 1 0 242.363 0.722 10 0 BCAERO CC[S@](=O)N1C[C@@H]2C[NH2+]C[C@@]2(C)C1 ZINC000575555648 387693254 /nfs/dbraw/zinc/69/32/54/387693254.db2.gz AHKQAKDSOAXHOZ-RVBZMBCESA-N 1 0 202.323 0.211 10 0 BCAERO CS(=O)(=O)[C@@H]1CCC[C@]1([NH3+])C1CC1 ZINC000575560297 387699150 /nfs/dbraw/zinc/69/91/50/387699150.db2.gz IKTPKASIEBMNCN-BDAKNGLRSA-N 1 0 203.307 0.691 10 0 BCAERO CS(=O)(=O)[C@H]1CCC[C@@]1([NH3+])C1CC1 ZINC000575560303 387699318 /nfs/dbraw/zinc/69/93/18/387699318.db2.gz IKTPKASIEBMNCN-DTWKUNHWSA-N 1 0 203.307 0.691 10 0 BCAERO C/C=C/[C@@H]([NH3+])[C@@H]1CCCCS1(=O)=O ZINC000575569286 387726870 /nfs/dbraw/zinc/72/68/70/387726870.db2.gz STLCAZOTXGTUQN-COKDONQUSA-N 1 0 203.307 0.857 10 0 BCAERO O=C1C[C@]2(CC[N@H+](Cc3ccccc3)C2)NN1 ZINC000575569066 387729821 /nfs/dbraw/zinc/72/98/21/387729821.db2.gz GBJGKZVOHSKRKJ-ZDUSSCGKSA-N 1 0 231.299 0.656 10 0 BCAERO Nc1nnnn1[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000306353286 387731239 /nfs/dbraw/zinc/73/12/39/387731239.db2.gz PHYPRTYMOLIXCM-LLVKDONJSA-N 1 0 244.302 0.702 10 0 BCAERO CS[C@@H]1CC[C@@H]1N1CC[C@H]([NH3+])C1=O ZINC000575566407 387733662 /nfs/dbraw/zinc/73/36/62/387733662.db2.gz RLXVUYKFLBGNSS-BIIVOSGPSA-N 1 0 200.307 0.440 10 0 BCAERO C[NH+](C)C[C@@H]1CN(CC2=CCCOC2)CCO1 ZINC000128067041 387736124 /nfs/dbraw/zinc/73/61/24/387736124.db2.gz OVECQTADTLXSIS-CYBMUJFWSA-N 1 0 240.347 0.596 10 0 BCAERO C[C@@H]([NH3+])[C@H]1CN(c2ncccc2F)CCO1 ZINC000169206554 387794099 /nfs/dbraw/zinc/79/40/99/387794099.db2.gz LWDSRKFYTZPKBM-PSASIEDQSA-N 1 0 225.267 0.773 10 0 BCAERO C[C@H]([NH3+])[C@H]1CN(c2ncccc2F)CCO1 ZINC000169206474 387794822 /nfs/dbraw/zinc/79/48/22/387794822.db2.gz LWDSRKFYTZPKBM-WCBMZHEXSA-N 1 0 225.267 0.773 10 0 BCAERO COc1c(CNC[C@@H](C)[NH+](C)C)c(C)nn1C ZINC000134400817 387807333 /nfs/dbraw/zinc/80/73/33/387807333.db2.gz KXNYZRCAUKANLH-SECBINFHSA-N 1 0 240.351 0.777 10 0 BCAERO [NH3+]Cc1cnnn1-c1ccc2c(c1)OCCO2 ZINC000070460936 387809549 /nfs/dbraw/zinc/80/95/49/387809549.db2.gz HJNYBWXYWJRFBL-UHFFFAOYSA-N 1 0 232.243 0.497 10 0 BCAERO CCC[C@H]([NH3+])C(=O)NC[C@@H](O)CCC ZINC000157623920 387859279 /nfs/dbraw/zinc/85/92/79/387859279.db2.gz RSTHJIVMHIBBNA-IUCAKERBSA-N 1 0 202.298 0.391 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)N(C)CC[C@H](C)O ZINC000157700500 387866608 /nfs/dbraw/zinc/86/66/08/387866608.db2.gz KRUJTFCOQKQZKL-DTWKUNHWSA-N 1 0 202.298 0.343 10 0 BCAERO Cc1nnc2c(NCC3([NH3+])CCC3)nccn12 ZINC000235963836 387868886 /nfs/dbraw/zinc/86/88/86/387868886.db2.gz FJADHRZJYNOZEQ-UHFFFAOYSA-N 1 0 232.291 0.726 10 0 BCAERO CC(=O)NCCCNC(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000151738403 387877492 /nfs/dbraw/zinc/87/74/92/387877492.db2.gz QDBJEYMDSBHYPG-WDEREUQCSA-N 1 0 241.335 0.146 10 0 BCAERO CN1CCO[C@@H](CNC(=O)[C@H]2CC=CCC2)C1 ZINC000194636602 387887376 /nfs/dbraw/zinc/88/73/76/387887376.db2.gz ZQWXUXZFAPXJNM-RYUDHWBXSA-N 1 0 238.331 0.790 10 0 BCAERO O=C(c1ccn[nH]1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000195331397 387918139 /nfs/dbraw/zinc/91/81/39/387918139.db2.gz MKACQCYJAYMRFZ-VIFPVBQESA-N 1 0 220.276 0.330 10 0 BCAERO Cc1cc(C)c(C(N)=O)c(N(C)C[C@H](C)[NH3+])n1 ZINC000104315394 177851450 /nfs/dbraw/zinc/85/14/50/177851450.db2.gz LRDDGZUUPDVNLZ-QMMMGPOBSA-N 1 0 236.319 0.581 10 0 BCAERO C[C@H](C[NH3+])N1CC(F)(F)C(F)(F)C1 ZINC000306366576 387915227 /nfs/dbraw/zinc/91/52/27/387915227.db2.gz CLXKYUVFCBLZMS-RXMQYKEDSA-N 1 0 200.179 0.920 10 0 BCAERO CC[C@H](NC(=O)[C@H]1CCC[C@@H]([NH3+])C1)C(=O)OC ZINC000237037952 387915589 /nfs/dbraw/zinc/91/55/89/387915589.db2.gz QJRQWZRYWQMPDS-AEJSXWLSSA-N 1 0 242.319 0.572 10 0 BCAERO C[C@]1(O)CCC[N@H+](C[C@H]2CNC(=O)O2)CC1 ZINC000300238048 387921466 /nfs/dbraw/zinc/92/14/66/387921466.db2.gz IGHMNUGUBMHGGH-KOLCDFICSA-N 1 0 228.292 0.332 10 0 BCAERO COc1cc(OC)nc(N[C@@H](C)C[NH3+])n1 ZINC000159006409 387978021 /nfs/dbraw/zinc/97/80/21/387978021.db2.gz CQRIOTCFKPCUAP-LURJTMIESA-N 1 0 212.253 0.253 10 0 BCAERO CCN(CCC(F)(F)F)C(=O)[C@@H]([NH3+])COC ZINC000645814353 387989759 /nfs/dbraw/zinc/98/97/59/387989759.db2.gz JYCWQXMRWAOZTI-ZETCQYMHSA-N 1 0 242.241 0.761 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)N2CC[C@@H](C[NH+](C)C)C2)O1 ZINC000245982293 387998535 /nfs/dbraw/zinc/99/85/35/387998535.db2.gz HBBRBHBRCDHKDH-GRYCIOLGSA-N 1 0 240.347 0.964 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)NC[C@H]2CCC[N@@H+]2C)O1 ZINC000246023757 388003129 /nfs/dbraw/zinc/00/31/29/388003129.db2.gz MRZISDGTFCVVQP-GMTAPVOTSA-N 1 0 226.320 0.764 10 0 BCAERO CC[C@H]([NH3+])CNc1ncnc2c1cnn2C ZINC000082579320 388036715 /nfs/dbraw/zinc/03/67/15/388036715.db2.gz VZVPSXILGKPTGR-ZETCQYMHSA-N 1 0 220.280 0.513 10 0 BCAERO Cn1nccc1CNC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000085013113 388082761 /nfs/dbraw/zinc/08/27/61/388082761.db2.gz GJGZVAMDGGYLGW-DTWKUNHWSA-N 1 0 222.292 0.164 10 0 BCAERO Cc1cc(NC(=O)[C@H]2CC[C@H]([NH3+])C2)n(C)n1 ZINC000085009297 388082921 /nfs/dbraw/zinc/08/29/21/388082921.db2.gz NOUHFDFBHKJRRV-IUCAKERBSA-N 1 0 222.292 0.794 10 0 BCAERO COC(=O)CCCNC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000085011831 388083017 /nfs/dbraw/zinc/08/30/17/388083017.db2.gz YNHMMXNUTSHDEL-DTWKUNHWSA-N 1 0 228.292 0.183 10 0 BCAERO C[NH2+][C@@H]1CCCN(c2ccnc(N(C)C)n2)C1 ZINC000085432117 388088797 /nfs/dbraw/zinc/08/87/97/388088797.db2.gz KECHOVQCDOFIHX-SNVBAGLBSA-N 1 0 235.335 0.731 10 0 BCAERO O[C@@H]1C[NH2+]C[C@@H]1CNCc1ccsc1 ZINC000261528302 135153231 /nfs/dbraw/zinc/15/32/31/135153231.db2.gz MLFYOQWXTAZFJH-VHSXEESVSA-N 1 0 212.318 0.418 10 0 BCAERO CNC(=O)CCC[NH2+]C[C@@H](O)C(C)(C)C ZINC000324566165 388122311 /nfs/dbraw/zinc/12/23/11/388122311.db2.gz VJUVUPSTBDPGEE-SECBINFHSA-N 1 0 216.325 0.509 10 0 BCAERO Cc1cnn(CCNC(=O)[C@H]2[NH2+]CC2(C)C)c1 ZINC000646027138 388127141 /nfs/dbraw/zinc/12/71/41/388127141.db2.gz HZIWUYXXUXVHLR-SNVBAGLBSA-N 1 0 236.319 0.306 10 0 BCAERO CCS(=O)(=O)C[C@H](C)[NH2+][C@@H]1C[C@@H]1C ZINC000162246248 388135016 /nfs/dbraw/zinc/13/50/16/388135016.db2.gz DPYKDBMZFOAUAZ-XHNCKOQMSA-N 1 0 205.323 0.808 10 0 BCAERO CSC[C@H](C)C(=O)N1C[C@H](C)[C@H]([NH3+])C1 ZINC000261528014 135152845 /nfs/dbraw/zinc/15/28/45/135152845.db2.gz IQIKPAQIRBXXND-XHNCKOQMSA-N 1 0 216.350 0.791 10 0 BCAERO CCCS(=O)(=O)N1C[C@H](C)[C@H]([NH3+])C1 ZINC000261528619 135154582 /nfs/dbraw/zinc/15/45/82/135154582.db2.gz MSVQKDLPMNVFFL-JGVFFNPUSA-N 1 0 206.311 0.005 10 0 BCAERO Cc1c(C[NH2+][C@@H](C)C[C@@H](C)O)cnn1C ZINC000164613504 388241440 /nfs/dbraw/zinc/24/14/40/388241440.db2.gz GFPHSMYBPYFYIH-DTWKUNHWSA-N 1 0 211.309 0.978 10 0 BCAERO COC[C@H](C)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000261531646 135160614 /nfs/dbraw/zinc/16/06/14/135160614.db2.gz HJQQXCVCKIGJMW-IUCAKERBSA-N 1 0 200.282 0.076 10 0 BCAERO CC(C)(C)[C@@H](O)C[NH2+][C@@H]1CCC[C@H]1O ZINC000324568515 388384554 /nfs/dbraw/zinc/38/45/54/388384554.db2.gz WAFVANPKTAFKEW-BBBLOLIVSA-N 1 0 201.310 0.896 10 0 BCAERO Cc1cc(N(C)CCOCC[NH3+])ncn1 ZINC000300940437 388395033 /nfs/dbraw/zinc/39/50/33/388395033.db2.gz DKYWIRHGQIDXOD-UHFFFAOYSA-N 1 0 210.281 0.197 10 0 BCAERO c1cn(CCNC2=[NH+]CCCS2)cn1 ZINC000042542207 388444665 /nfs/dbraw/zinc/44/46/65/388444665.db2.gz OVNIYYBISGGRGX-UHFFFAOYSA-N 1 0 210.306 0.966 10 0 BCAERO CCN1CCC([NH2+][C@@H]2CCC(=O)N[C@@H]2C)CC1 ZINC000334669917 388445956 /nfs/dbraw/zinc/44/59/56/388445956.db2.gz UMFPMCZFBAKEGD-ZYHUDNBSSA-N 1 0 239.363 0.727 10 0 BCAERO COCCC[N@H+](C)CCNC(=O)N[C@H]1C[C@H]1C ZINC000176346797 388452422 /nfs/dbraw/zinc/45/24/22/388452422.db2.gz KCRIMOKDFWMTCB-MNOVXSKESA-N 1 0 243.351 0.662 10 0 BCAERO CC(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CCNC1=O ZINC000336687904 388462672 /nfs/dbraw/zinc/46/26/72/388462672.db2.gz VKIIDPKMZYYAPE-MXWKQRLJSA-N 1 0 226.320 0.526 10 0 BCAERO COC[C@@]1(C(=O)NCc2ccccn2)CCC[NH2+]1 ZINC000649268465 388478373 /nfs/dbraw/zinc/47/83/73/388478373.db2.gz JCVXKLSRMJQHEQ-CYBMUJFWSA-N 1 0 249.314 0.466 10 0 BCAERO C[C@H](C[C@H](C)[NH3+])Nc1nccn(C)c1=O ZINC000165722952 388409993 /nfs/dbraw/zinc/40/99/93/388409993.db2.gz ISAOSWSKFNENMA-JGVFFNPUSA-N 1 0 210.281 0.318 10 0 BCAERO OC[C@@H]1C[N@H+](C[C@H]2Cc3ccccc32)C[C@@H]1O ZINC000316371047 388411455 /nfs/dbraw/zinc/41/14/55/388411455.db2.gz LNIKJBAAQFXRKG-DYEKYZERSA-N 1 0 233.311 0.611 10 0 BCAERO C[C@H]1CC[C@@H](O)C[N@@H+]1CCC(C)(C)O ZINC000307238909 388422347 /nfs/dbraw/zinc/42/23/47/388422347.db2.gz FUJBAPNZXJKTAK-VHSXEESVSA-N 1 0 201.310 0.993 10 0 BCAERO CC[C@@](C)(O)C[N@H+]1C[C@H](O)C[C@H](C)C1 ZINC000307262122 388422462 /nfs/dbraw/zinc/42/24/62/388422462.db2.gz RHJGWTFZMGZSIQ-HBNTYKKESA-N 1 0 201.310 0.850 10 0 BCAERO CC1(C)CC(C[N@@H+]2CCC[C@](O)(C(N)=O)C2)C1 ZINC000528507065 388537774 /nfs/dbraw/zinc/53/77/74/388537774.db2.gz UKKWTHCAKROULC-CYBMUJFWSA-N 1 0 240.347 0.735 10 0 BCAERO CC(C)n1nccc1C[NH2+][C@@H]1CCCNC1=O ZINC000354158661 388543595 /nfs/dbraw/zinc/54/35/95/388543595.db2.gz QKMMSTQEKOMHCK-LLVKDONJSA-N 1 0 236.319 0.832 10 0 BCAERO OC[C@@H]1C[N@H+](CC[C@H]2CCOC2)CCO1 ZINC000400662969 256795413 /nfs/dbraw/zinc/79/54/13/256795413.db2.gz XAMOFNAGOFOGGB-QWRGUYRKSA-N 1 0 215.293 0.106 10 0 BCAERO Cc1c(C[NH2+]CC2(N(C)C)CC2)cnn1C ZINC000397810273 388501188 /nfs/dbraw/zinc/50/11/88/388501188.db2.gz YNPKZBYBHXBGGN-UHFFFAOYSA-N 1 0 222.336 0.912 10 0 BCAERO CO[C@H]1C[C@H](CO)[N@H+](Cc2ccccn2)C1 ZINC000343985467 388503418 /nfs/dbraw/zinc/50/34/18/388503418.db2.gz POYUZWCGHBWYQP-NEPJUHHUSA-N 1 0 222.288 0.663 10 0 BCAERO CO[C@H]1C[C@@H](CO)[N@H+](Cc2ccco2)C1 ZINC000343972619 388503535 /nfs/dbraw/zinc/50/35/35/388503535.db2.gz GIULJDPVDKUVBT-ONGXEEELSA-N 1 0 211.261 0.861 10 0 BCAERO CCSCC[N@@H+]1C[C@@H](OC)C[C@@H]1CO ZINC000344151918 388505926 /nfs/dbraw/zinc/50/59/26/388505926.db2.gz VQQUIKNORBGYCP-ZJUUUORDSA-N 1 0 219.350 0.821 10 0 BCAERO CO[C@@H]1C[C@H](CO)[N@H+](C[C@@H]2CC[C@@H](C)O2)C1 ZINC000344711627 388508371 /nfs/dbraw/zinc/50/83/71/388508371.db2.gz MDSKITCWAFDMNJ-WISYIIOYSA-N 1 0 229.320 0.636 10 0 BCAERO CO[C@@H]1C[C@H](CO)[N@H+](CCOC(C)C)C1 ZINC000344738790 388508632 /nfs/dbraw/zinc/50/86/32/388508632.db2.gz OWJCRFSDPZOLKO-GHMZBOCLSA-N 1 0 217.309 0.493 10 0 BCAERO CO[C@@H]1C[C@H](CO)[N@H+](CCC[C@H](C)O)C1 ZINC000344711580 388508916 /nfs/dbraw/zinc/50/89/16/388508916.db2.gz LQCCQRRQDWKBDK-HBNTYKKESA-N 1 0 217.309 0.229 10 0 BCAERO CO[C@H]1C[C@@H](CO)[N@H+](CCOC(C)C)C1 ZINC000344738792 388509184 /nfs/dbraw/zinc/50/91/84/388509184.db2.gz OWJCRFSDPZOLKO-QWRGUYRKSA-N 1 0 217.309 0.493 10 0 BCAERO CCN1CC[C@H]([NH2+]C[C@@H](C)S(C)(=O)=O)C1 ZINC000516761822 388516222 /nfs/dbraw/zinc/51/62/22/388516222.db2.gz OMQMFZDIVRPVNT-ZJUUUORDSA-N 1 0 234.365 0.103 10 0 BCAERO CCCCOC[C@H](O)C[N@H+](C)[C@@H](CC)CO ZINC000345828126 388516924 /nfs/dbraw/zinc/51/69/24/388516924.db2.gz IIKQHDCNBUUJGB-NWDGAFQWSA-N 1 0 233.352 0.867 10 0 BCAERO CSCc1noc([C@H]2C[NH2+]CCO2)n1 ZINC000054494156 388593879 /nfs/dbraw/zinc/59/38/79/388593879.db2.gz GGCFFKJYUYWPPC-ZCFIWIBFSA-N 1 0 215.278 0.594 10 0 BCAERO C[C@@H](O)C[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000220317864 388603257 /nfs/dbraw/zinc/60/32/57/388603257.db2.gz QAFNPPUNRXUSJO-UTUOFQBUSA-N 1 0 213.321 0.994 10 0 BCAERO CC(C)[C@H](C)NC(=O)CN1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631842936 388610391 /nfs/dbraw/zinc/61/03/91/388610391.db2.gz HPPQFMROMVSFKI-WOPDTQHZSA-N 1 0 241.379 0.674 10 0 BCAERO C[C@H]([NH2+]C[C@@H]1CN(C)CCO1)[C@H]1CCCOC1 ZINC000356885435 388551554 /nfs/dbraw/zinc/55/15/54/388551554.db2.gz XIHQPFZCJLQRDN-RWMBFGLXSA-N 1 0 242.363 0.722 10 0 BCAERO CC(C)(C)CC[N@@H+]1CCC[C@@](O)(C(N)=O)C1 ZINC000367493388 388565742 /nfs/dbraw/zinc/56/57/42/388565742.db2.gz QMVRAQPPHWTTPW-LBPRGKRZSA-N 1 0 228.336 0.735 10 0 BCAERO C[C@@H]([NH3+])[C@@H]1CN(C(=O)C2CC(C)C2)CCO1 ZINC000646841659 388616062 /nfs/dbraw/zinc/61/60/62/388616062.db2.gz ZJOJSRKUEGIJNU-DJRKXVOMSA-N 1 0 226.320 0.607 10 0 BCAERO C[C@H]([NH3+])[C@@H]1CN(C(=O)C2CC(C)C2)CCO1 ZINC000646841662 388616379 /nfs/dbraw/zinc/61/63/79/388616379.db2.gz ZJOJSRKUEGIJNU-YIYTYNFBSA-N 1 0 226.320 0.607 10 0 BCAERO CCC[C@H](C)CS(=O)(=O)NC[C@@H](C)[NH2+]C ZINC000261547794 135241327 /nfs/dbraw/zinc/24/13/27/135241327.db2.gz MTGYCHKJDZMGDF-VHSXEESVSA-N 1 0 236.381 0.950 10 0 BCAERO CCOC(=O)[C@H]1CCCN1C(=O)[C@@H](C)[NH2+]C ZINC000521643438 388621129 /nfs/dbraw/zinc/62/11/29/388621129.db2.gz FLNYLDXROARZFK-RKDXNWHRSA-N 1 0 228.292 0.148 10 0 BCAERO CC[C@H]1CC[N@H+](C[C@@H](O)CN2CCCC2=O)C1 ZINC000246321184 388630210 /nfs/dbraw/zinc/63/02/10/388630210.db2.gz WYUXGCVGAJRFOX-NWDGAFQWSA-N 1 0 240.347 0.702 10 0 BCAERO O=C(c1ccccn1)N1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC000403973105 388630362 /nfs/dbraw/zinc/63/03/62/388630362.db2.gz CGILMCBJZTYNHV-NEPJUHHUSA-N 1 0 247.298 0.285 10 0 BCAERO CC(C)(C)OC(=O)[C@@H]1CC[C@@H]2[NH2+]CC[C@H]2N1 ZINC000252581593 388647644 /nfs/dbraw/zinc/64/76/44/388647644.db2.gz BQVCGYFSPSKALK-AEJSXWLSSA-N 1 0 226.320 0.811 10 0 BCAERO CC[N@@H+]1CCC[C@@H]1CN(C)[C@H](C)C(=O)N(C)C ZINC000246758310 388651664 /nfs/dbraw/zinc/65/16/64/388651664.db2.gz XZDZXCQFUHVIPI-VXGBXAGGSA-N 1 0 241.379 0.879 10 0 BCAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NS(C)(=O)=O)C1 ZINC000246831346 388652571 /nfs/dbraw/zinc/65/25/71/388652571.db2.gz CXEQOMVECWEIGE-RKDXNWHRSA-N 1 0 220.338 0.264 10 0 BCAERO C[C@]1(C(=O)NCCOCC2CC2)CCC[NH2+]1 ZINC000227424912 388750951 /nfs/dbraw/zinc/75/09/51/388750951.db2.gz BCVKUWCRJGOMES-GFCCVEGCSA-N 1 0 226.320 0.671 10 0 BCAERO F[C@H]1CCN(C[C@@H]2CSCC[NH2+]2)C1 ZINC000575453724 388751073 /nfs/dbraw/zinc/75/10/73/388751073.db2.gz NCPLMFSXKZEZJA-DTWKUNHWSA-N 1 0 204.314 0.735 10 0 BCAERO CC[C@@H]1CN(C[C@H](C)O)CC[N@@H+]1C[C@@H](C)O ZINC000248641690 388688108 /nfs/dbraw/zinc/68/81/08/388688108.db2.gz CQCLNKBFEREZFI-QJPTWQEYSA-N 1 0 230.352 0.144 10 0 BCAERO CC[C@](C)(O)C[N@@H+]1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000249094175 388708830 /nfs/dbraw/zinc/70/88/30/388708830.db2.gz HXAUXZJGUXKMHU-AVGNSLFASA-N 1 0 244.379 0.534 10 0 BCAERO C[C@H](O)C[N@@H+]1CCN(Cc2cocn2)C[C@@H]1C ZINC000249260620 388714258 /nfs/dbraw/zinc/71/42/58/388714258.db2.gz ISDAOCYUZNVQRN-QWRGUYRKSA-N 1 0 239.319 0.562 10 0 BCAERO CSC[C@H](O)C[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000249444350 388721713 /nfs/dbraw/zinc/72/17/13/388721713.db2.gz KTAZYWJIZDEMBX-IVZWLZJFSA-N 1 0 219.350 0.867 10 0 BCAERO C[C@@H]1C[N@H+](C[C@@H](O)COC(C)(C)C)CC[C@@H]1O ZINC000249556167 388727655 /nfs/dbraw/zinc/72/76/55/388727655.db2.gz JUYLMJABTITPEN-UTUOFQBUSA-N 1 0 245.363 0.865 10 0 BCAERO C1NOC[C@H]1[NH2+][C@H]1CCCSCC1 ZINC000575449302 388728652 /nfs/dbraw/zinc/72/86/52/388728652.db2.gz GSRYCDKLCMTPBR-IUCAKERBSA-N 1 0 202.323 0.765 10 0 BCAERO C[C@@H]1CN(C[C@H]2CNC(=O)O2)CCC1=O ZINC000253311276 388813534 /nfs/dbraw/zinc/81/35/34/388813534.db2.gz VAAXJMVDZORJSC-HTQZYQBOSA-N 1 0 212.249 0.006 10 0 BCAERO CC[C@](C)(O)C[N@@H+]1CC[C@@H](C(=O)OC)C1 ZINC000229879985 388802171 /nfs/dbraw/zinc/80/21/71/388802171.db2.gz MREYBDXSHULAKH-KOLCDFICSA-N 1 0 215.293 0.642 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)N2C[C@H](C[NH3+])C[C@H]2C)O1 ZINC000251971988 388758585 /nfs/dbraw/zinc/75/85/85/388758585.db2.gz YFNJQEYYLHIMLT-CHWFTXMASA-N 1 0 226.320 0.750 10 0 BCAERO Cc1c[nH+]ccc1NC[C@H]1C[NH2+]CCO1 ZINC000227786673 388758726 /nfs/dbraw/zinc/75/87/26/388758726.db2.gz CCYDFJJICXRTOC-SNVBAGLBSA-N 1 0 207.277 0.790 10 0 BCAERO CC(C)OC[C@H](O)C[N@H+]1[C@H](C)COC[C@@H]1C ZINC000252464390 388766662 /nfs/dbraw/zinc/76/66/62/388766662.db2.gz JTWPCXIZRUDKPD-GRYCIOLGSA-N 1 0 231.336 0.882 10 0 BCAERO CC(C)OC[C@H](O)C[NH+]1[C@@H](C)COC[C@@H]1C ZINC000252464392 388767085 /nfs/dbraw/zinc/76/70/85/388767085.db2.gz JTWPCXIZRUDKPD-SDDRHHMPSA-N 1 0 231.336 0.882 10 0 BCAERO C[C@@H](O)C[N@@H+]1C[C@@H]2CCCCN2C[C@H]1C ZINC000252743522 388780010 /nfs/dbraw/zinc/78/00/10/388780010.db2.gz PVVHJBBMCPYSAL-UTUOFQBUSA-N 1 0 212.337 0.926 10 0 BCAERO O[C@H](c1cnsc1)[C@@H]1CSCC[NH2+]1 ZINC000575464522 388832221 /nfs/dbraw/zinc/83/22/21/388832221.db2.gz WJDTVGNEKWKKJQ-JGVFFNPUSA-N 1 0 216.331 0.882 10 0 BCAERO C[S@@](=O)N1C[C@@H](C[NH3+])C2(CCC2)C1 ZINC000575465854 388835543 /nfs/dbraw/zinc/83/55/43/388835543.db2.gz ZUAFWKCYKMWHIU-AMIZOPFISA-N 1 0 202.323 0.341 10 0 BCAERO [NH3+][C@@H]1CCC2(C[C@@H]1n1ccnn1)OCCO2 ZINC000575468435 388840547 /nfs/dbraw/zinc/84/05/47/388840547.db2.gz CNEFCOCGSVNDNA-BDAKNGLRSA-N 1 0 224.264 0.074 10 0 BCAERO NC(=S)C[N@@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000575483376 388864481 /nfs/dbraw/zinc/86/44/81/388864481.db2.gz FVRNTRVYVGWFFF-SFYZADRCSA-N 1 0 200.307 0.241 10 0 BCAERO CC[S@](=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000575471948 388849875 /nfs/dbraw/zinc/84/98/75/388849875.db2.gz LFJMWNFGDUUYPF-RNCFNFMXSA-N 1 0 204.339 0.873 10 0 BCAERO C[C@@H]1CN(CCOC[C@H]2CCCO2)C[C@@H]1[NH3+] ZINC000564644726 388879875 /nfs/dbraw/zinc/87/98/75/388879875.db2.gz RYMQWGJMHMKICQ-UTUOFQBUSA-N 1 0 228.336 0.461 10 0 BCAERO O=S1(=O)CCC[C@H]([NH2+]C2CC2)CC1 ZINC000575487599 388877907 /nfs/dbraw/zinc/87/79/07/388877907.db2.gz MYGDSMAEJATQSX-QMMMGPOBSA-N 1 0 203.307 0.706 10 0 BCAERO CCc1nnc(CN2CC[C@H]([NH2+]C)C2)n1C ZINC000564988323 388905615 /nfs/dbraw/zinc/90/56/15/388905615.db2.gz DAABTTSUPSQARS-VIFPVBQESA-N 1 0 223.324 0.171 10 0 BCAERO c1cncc(CN2CC[C@@H]3OCC[NH2+][C@H]3C2)c1 ZINC000404077829 388943576 /nfs/dbraw/zinc/94/35/76/388943576.db2.gz GGTLWTQOQPKRQW-STQMWFEESA-N 1 0 233.315 0.644 10 0 BCAERO CC(C)=C[C@@H]([NH3+])[C@@H]1CCCS1(=O)=O ZINC000575492744 388944067 /nfs/dbraw/zinc/94/40/67/388944067.db2.gz KVNMYWZBBPRSCG-BDAKNGLRSA-N 1 0 203.307 0.857 10 0 BCAERO CC(C)C(=O)N1CC[C@H]2OCC[NH2+][C@@H]2C1 ZINC000404099903 388946056 /nfs/dbraw/zinc/94/60/56/388946056.db2.gz ZDSZDGMMWQVTPP-NXEZZACHSA-N 1 0 212.293 0.232 10 0 BCAERO CC(C)C(=O)N1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC000404099913 388946171 /nfs/dbraw/zinc/94/61/71/388946171.db2.gz ZDSZDGMMWQVTPP-ZJUUUORDSA-N 1 0 212.293 0.232 10 0 BCAERO Cn1c(Cl)cnc1[C@@H]1C[C@@H]([NH3+])CO1 ZINC000575508780 389002623 /nfs/dbraw/zinc/00/26/23/389002623.db2.gz SLEOBYYWNWJAMR-RITPCOANSA-N 1 0 201.657 0.862 10 0 BCAERO O=C([C@@H]1CCCS1)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000566103987 388988210 /nfs/dbraw/zinc/98/82/10/388988210.db2.gz VXUXCCVPGYITQX-AEJSXWLSSA-N 1 0 242.344 0.081 10 0 BCAERO [NH3+][C@@]1([C@@H](O)c2ccsn2)CCOC1 ZINC000575504059 388990614 /nfs/dbraw/zinc/99/06/14/388990614.db2.gz CFHLEAQLPHSSAX-YUMQZZPRSA-N 1 0 200.263 0.294 10 0 BCAERO Cc1cc(NN)[nH+]c(N2CCSCC2)n1 ZINC000057331607 132301054 /nfs/dbraw/zinc/30/10/54/132301054.db2.gz LGKZGDDSYVPHNG-UHFFFAOYSA-N 1 0 225.321 0.624 10 0 BCAERO [NH3+]Cc1ccccc1N1C(=O)COCC1=O ZINC000041044257 132349212 /nfs/dbraw/zinc/34/92/12/132349212.db2.gz NCYOVYRSAMEXOY-UHFFFAOYSA-N 1 0 220.228 0.035 10 0 BCAERO [NH3+]Cc1cccnc1N1CCS(=O)CC1 ZINC000049691184 132356262 /nfs/dbraw/zinc/35/62/62/132356262.db2.gz HJDYVGMLFFPLQZ-UHFFFAOYSA-N 1 0 225.317 0.109 10 0 BCAERO C[C@@H]1CN(c2ccc(C[NH3+])nn2)[C@H](C)CO1 ZINC000051396875 132360455 /nfs/dbraw/zinc/36/04/55/132360455.db2.gz LIRGSJMMHJRZOK-RKDXNWHRSA-N 1 0 222.292 0.549 10 0 BCAERO CCOCC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000082409890 322824311 /nfs/dbraw/zinc/82/43/11/322824311.db2.gz TUNAHNNFEDACBI-VIFPVBQESA-N 1 0 200.282 0.185 10 0 BCAERO Cc1cnc(C)c(N2CC[NH2+][C@H](C)C2)n1 ZINC000052783460 132229072 /nfs/dbraw/zinc/22/90/72/132229072.db2.gz WTPBDWZDMJMYCC-SECBINFHSA-N 1 0 206.293 0.892 10 0 BCAERO C[NH2+]CC1CCN(c2nccc(OC)n2)CC1 ZINC000053664051 132229962 /nfs/dbraw/zinc/22/99/62/132229962.db2.gz QBQBZOAATIGRQT-UHFFFAOYSA-N 1 0 236.319 0.921 10 0 BCAERO C[C@H]1CCCN(c2ccc(C(N)=O)cn2)[C@@H]1C[NH3+] ZINC000070178484 132230511 /nfs/dbraw/zinc/23/05/11/132230511.db2.gz SRKAHRJYRDRUGJ-GXSJLCMTSA-N 1 0 248.330 0.744 10 0 BCAERO Cc1nnc2c(N3C[C@@H](C)[NH2+]C[C@H]3C)nccn12 ZINC000250839681 132232112 /nfs/dbraw/zinc/23/21/12/132232112.db2.gz QYNLSFAUGOWVHT-RKDXNWHRSA-N 1 0 246.318 0.619 10 0 BCAERO Cc1nnc2c(N3C[C@H](C)[NH2+]C[C@H]3C)nccn12 ZINC000250839680 132232525 /nfs/dbraw/zinc/23/25/25/132232525.db2.gz QYNLSFAUGOWVHT-DTWKUNHWSA-N 1 0 246.318 0.619 10 0 BCAERO Cc1nnc(N2CC[C@H](C)[C@@H](C[NH3+])C2)nc1C ZINC000229093921 132291910 /nfs/dbraw/zinc/29/19/10/132291910.db2.gz ZSKMTBBKHYJJOY-KWQFWETISA-N 1 0 235.335 0.910 10 0 BCAERO CN1CCN(C(=O)[C@H]2CC[NH2+]2)c2ccccc21 ZINC000336174408 132296239 /nfs/dbraw/zinc/29/62/39/132296239.db2.gz QOXGHJPZPOCOAN-SNVBAGLBSA-N 1 0 231.299 0.831 10 0 BCAERO O=C1N[C@@H]2C[NH2+]CCN2c2ccccc21 ZINC000045338195 132298611 /nfs/dbraw/zinc/29/86/11/132298611.db2.gz ZBZSDZXMFOCFTN-JTQLQIEISA-N 1 0 203.245 0.166 10 0 BCAERO Cc1cccc2c1N1CC[NH2+]C[C@H]1NC2=O ZINC000045338207 132298861 /nfs/dbraw/zinc/29/88/61/132298861.db2.gz RDKUQQKQJMPPCX-JTQLQIEISA-N 1 0 217.272 0.474 10 0 BCAERO c1cncc(-c2cc(N3CC[NH2+]CC3)ncn2)c1 ZINC000045950664 132298889 /nfs/dbraw/zinc/29/88/89/132298889.db2.gz YDCSTFASFCCLGH-UHFFFAOYSA-N 1 0 241.298 0.948 10 0 BCAERO CCc1nc(N2CC[NH2+]CC2)[nH]c(=O)c1C ZINC000057329953 132301251 /nfs/dbraw/zinc/30/12/51/132301251.db2.gz PKKVMKJGEVNACA-UHFFFAOYSA-N 1 0 222.292 0.050 10 0 BCAERO c1cc2c(c(N3CC[NH2+]CC3)c1)OCCN2 ZINC000062527582 132301866 /nfs/dbraw/zinc/30/18/66/132301866.db2.gz NPAGIBYIZFAZIR-UHFFFAOYSA-N 1 0 219.288 0.901 10 0 BCAERO Cc1cc(N2C[C@H](C)[NH2+]C[C@H]2C)ncn1 ZINC000250963777 132303809 /nfs/dbraw/zinc/30/38/09/132303809.db2.gz LWVQNUGDERXSTB-VHSXEESVSA-N 1 0 206.293 0.972 10 0 BCAERO Cc1cc(N2C[C@@H](C)[NH2+]C[C@H]2C)ncn1 ZINC000250963773 132304008 /nfs/dbraw/zinc/30/40/08/132304008.db2.gz LWVQNUGDERXSTB-NXEZZACHSA-N 1 0 206.293 0.972 10 0 BCAERO Nc1ccc2ccc(N3CC[NH2+]CC3)nc2n1 ZINC000001651024 132308725 /nfs/dbraw/zinc/30/87/25/132308725.db2.gz BSZMBARQXRRXMK-UHFFFAOYSA-N 1 0 229.287 0.622 10 0 BCAERO C[C@H](C[NH3+])CN1CCN(c2ccccn2)CC1 ZINC000011804671 132320875 /nfs/dbraw/zinc/32/08/75/132320875.db2.gz GUSUYJGKHOPYNZ-GFCCVEGCSA-N 1 0 234.347 0.798 10 0 BCAERO NC(=O)[C@H]1CCCN(c2ccc(C[NH3+])cn2)C1 ZINC000019257732 132324327 /nfs/dbraw/zinc/32/43/27/132324327.db2.gz BSTCQWWRECMNHK-JTQLQIEISA-N 1 0 234.303 0.242 10 0 BCAERO C[C@H]([NH3+])CN1c2ccccc2OCC1=O ZINC000019275756 132324658 /nfs/dbraw/zinc/32/46/58/132324658.db2.gz ATBSDHQNFKERGF-QMMMGPOBSA-N 1 0 206.245 0.759 10 0 BCAERO [NH3+]Cc1c(Cl)cccc1N1CCNC(=O)C1 ZINC000020469727 132331821 /nfs/dbraw/zinc/33/18/21/132331821.db2.gz UWZCBWRBVBFPDS-UHFFFAOYSA-N 1 0 239.706 0.735 10 0 BCAERO OCC[NH2+]CCN1CCN(c2ccccc2)CC1 ZINC000023363409 132332909 /nfs/dbraw/zinc/33/29/09/132332909.db2.gz ADAHSEVLALZWSN-UHFFFAOYSA-N 1 0 249.358 0.391 10 0 BCAERO C[C@H]1CN(c2ccc(C(N)=[NH2+])cn2)C[C@H](C)O1 ZINC000034679311 132336721 /nfs/dbraw/zinc/33/67/21/132336721.db2.gz UUNJQTRBFSKEAM-IUCAKERBSA-N 1 0 234.303 0.979 10 0 BCAERO NC(=O)c1cc(N2CCC([NH3+])CC2)ccn1 ZINC000035672950 132338843 /nfs/dbraw/zinc/33/88/43/132338843.db2.gz FYGJSWIIOGVGSL-UHFFFAOYSA-N 1 0 220.276 0.108 10 0 BCAERO C[C@@H]1COCCN1c1ncccc1C[NH3+] ZINC000035773381 132339091 /nfs/dbraw/zinc/33/90/91/132339091.db2.gz FVPKOVBXUWUKAS-SECBINFHSA-N 1 0 207.277 0.765 10 0 BCAERO O=C1N[C@H]2C[NH2+]CCN2c2c(Cl)cccc21 ZINC000035904944 132339925 /nfs/dbraw/zinc/33/99/25/132339925.db2.gz JWBQIOLFSHCCDX-SECBINFHSA-N 1 0 237.690 0.819 10 0 BCAERO [NH3+]Cc1ccnc(N2CCC[C@@H](CO)C2)c1 ZINC000036205640 132340711 /nfs/dbraw/zinc/34/07/11/132340711.db2.gz BELDVIRNVMPZAK-LLVKDONJSA-N 1 0 221.304 0.749 10 0 BCAERO Cc1[nH+]c(N2CCC(C(N)=O)CC2)ccc1N ZINC000036245103 132341296 /nfs/dbraw/zinc/34/12/96/132341296.db2.gz UWYQADBJXAQLML-UHFFFAOYSA-N 1 0 234.303 0.674 10 0 BCAERO CC[C@@H]1CN(c2ncccc2C(N)=[NH2+])CCO1 ZINC000036769930 132342422 /nfs/dbraw/zinc/34/24/22/132342422.db2.gz WHJFDVGYTOEKQA-SECBINFHSA-N 1 0 234.303 0.981 10 0 BCAERO COc1ccnc(N2CCC([NH3+])CC2)n1 ZINC000037116300 132343562 /nfs/dbraw/zinc/34/35/62/132343562.db2.gz NTSUONPKLHEZNK-UHFFFAOYSA-N 1 0 208.265 0.413 10 0 BCAERO [NH3+]CCNC(=O)C(=O)N1CCCc2ccccc21 ZINC000037242910 132344052 /nfs/dbraw/zinc/34/40/52/132344052.db2.gz JYHVCTKRIOGVMY-UHFFFAOYSA-N 1 0 247.298 0.041 10 0 BCAERO CCc1ncnc(N2CC[NH2+]C[C@H]2C)c1F ZINC000234178025 132344811 /nfs/dbraw/zinc/34/48/11/132344811.db2.gz AJGGQLSNWZNGCA-MRVPVSSYSA-N 1 0 224.283 0.976 10 0 BCAERO Clc1ccc(N2C[C@H]3C[C@@H](C2)[NH2+]3)nn1 ZINC000040896706 132349041 /nfs/dbraw/zinc/34/90/41/132349041.db2.gz GGFYYCGAEIOYTF-KNVOCYPGSA-N 1 0 210.668 0.681 10 0 BCAERO NC(=O)[C@@H]1CCCCN1c1cc[nH+]cc1N ZINC000042406015 132351107 /nfs/dbraw/zinc/35/11/07/132351107.db2.gz VYYIHTSJYTUTGE-JTQLQIEISA-N 1 0 220.276 0.508 10 0 BCAERO C[C@H]1CC[C@@H](C(N)=O)CN1c1cc[nH+]cc1N ZINC000042427641 132352022 /nfs/dbraw/zinc/35/20/22/132352022.db2.gz KLGXEGGPFYUABJ-DTWKUNHWSA-N 1 0 234.303 0.754 10 0 BCAERO C[C@H]1CC[C@@H](C(N)=O)CN1c1ncccc1C[NH3+] ZINC000042427013 132352034 /nfs/dbraw/zinc/35/20/34/132352034.db2.gz ZJONQRHINYESPI-GXSJLCMTSA-N 1 0 248.330 0.631 10 0 BCAERO Cc1ccc(C[NH3+])c(N2CCS(=O)CC2)n1 ZINC000043395905 132353186 /nfs/dbraw/zinc/35/31/86/132353186.db2.gz AEUPYIYNYOIICQ-UHFFFAOYSA-N 1 0 239.344 0.417 10 0 BCAERO NC(=O)[C@H]1CCCCN1c1cc(N)cc[nH+]1 ZINC000043569249 132353683 /nfs/dbraw/zinc/35/36/83/132353683.db2.gz FVBFJKJZZOSVKD-SECBINFHSA-N 1 0 220.276 0.508 10 0 BCAERO Cc1ccc(C[NH3+])cc1N1C(=O)COCC1=O ZINC000050430528 132358808 /nfs/dbraw/zinc/35/88/08/132358808.db2.gz CGXPJJHSAJQMLX-UHFFFAOYSA-N 1 0 234.255 0.344 10 0 BCAERO CCOc1nc(N2CC[NH2+]CC2)ccc1N ZINC000050607382 132359307 /nfs/dbraw/zinc/35/93/07/132359307.db2.gz HHZXJPAOOLBDGG-UHFFFAOYSA-N 1 0 222.292 0.472 10 0 BCAERO Cc1cccnc1N1CCN(CC[NH3+])CC1 ZINC000051040735 132359859 /nfs/dbraw/zinc/35/98/59/132359859.db2.gz RMKNLJQPJJPJBX-UHFFFAOYSA-N 1 0 220.320 0.471 10 0 BCAERO CC[C@@H]1CN(c2ccc(C[NH3+])nn2)CCO1 ZINC000051396893 132360446 /nfs/dbraw/zinc/36/04/46/132360446.db2.gz LLVGSRZTKIOLOL-SNVBAGLBSA-N 1 0 222.292 0.551 10 0 BCAERO CC[NH2+]C[C@@H](C)N1CCN(c2ncccn2)CC1 ZINC000052418431 132362128 /nfs/dbraw/zinc/36/21/28/132362128.db2.gz CAIRZOPJSUNZFS-GFCCVEGCSA-N 1 0 249.362 0.597 10 0 BCAERO C[C@@H]1CC[C@@H](C[NH3+])CN1c1ncnc2nc[nH]c21 ZINC000053704088 132363218 /nfs/dbraw/zinc/36/32/18/132363218.db2.gz UHNJTNYGDJOFSJ-BDAKNGLRSA-N 1 0 246.318 0.917 10 0 BCAERO Cc1ccc(N2C[C@@H](C)[NH2+][C@H](C)C2)nn1 ZINC000053712510 132363626 /nfs/dbraw/zinc/36/36/26/132363626.db2.gz ZARMXFTUUWIYSU-NXEZZACHSA-N 1 0 206.293 0.972 10 0 BCAERO Cc1cc(N2C[C@H](C)[NH2+][C@@H](C)C2)ncn1 ZINC000053712464 132363706 /nfs/dbraw/zinc/36/37/06/132363706.db2.gz QMYYIGVVHMDTQB-UWVGGRQHSA-N 1 0 206.293 0.972 10 0 BCAERO Cc1nccc(N2CCC[C@H](C[NH3+])C2)n1 ZINC000054936833 132365102 /nfs/dbraw/zinc/36/51/02/132365102.db2.gz OGNVMOFHXZLPND-SNVBAGLBSA-N 1 0 206.293 0.960 10 0 BCAERO COc1cccc(N2CCN(C3C[NH2+]C3)CC2)c1 ZINC000054931391 132365167 /nfs/dbraw/zinc/36/51/67/132365167.db2.gz ZJRWDGYQAIMURB-UHFFFAOYSA-N 1 0 247.342 0.789 10 0 BCAERO C[C@@H](C[NH3+])CN1CCN(c2ncccn2)CC1 ZINC000057402536 132365566 /nfs/dbraw/zinc/36/55/66/132365566.db2.gz QSPQOWWJTSBXEZ-NSHDSACASA-N 1 0 235.335 0.193 10 0 BCAERO CCOc1ccnc(N2CCC([NH3+])CC2)n1 ZINC000058825610 132368495 /nfs/dbraw/zinc/36/84/95/132368495.db2.gz BCSWNIHXRBRXNE-UHFFFAOYSA-N 1 0 222.292 0.803 10 0 BCAERO CCn1ccnc(N2CC[NH2+][C@H](C)C2)c1=O ZINC000061761745 132387301 /nfs/dbraw/zinc/38/73/01/132387301.db2.gz MLHXTROYZXFDCZ-SECBINFHSA-N 1 0 222.292 0.061 10 0 BCAERO C[C@@H](C(N)=O)N1c2ccccc2CC[C@@H]1C[NH3+] ZINC000063075392 132389358 /nfs/dbraw/zinc/38/93/58/132389358.db2.gz SUIFRILLPIXHPX-GXSJLCMTSA-N 1 0 233.315 0.640 10 0 BCAERO NC(=O)CCN1c2ccccc2CC[C@H]1C[NH3+] ZINC000063075369 132389808 /nfs/dbraw/zinc/38/98/08/132389808.db2.gz KIMAXKICKLTTOZ-NSHDSACASA-N 1 0 233.315 0.642 10 0 BCAERO NC(=O)c1cccnc1N1CCCC[C@H]1CC[NH3+] ZINC000104319512 132436572 /nfs/dbraw/zinc/43/65/72/132436572.db2.gz DFTUPTADICDRST-JTQLQIEISA-N 1 0 248.330 0.888 10 0 BCAERO COc1nc(Cl)nc(N2CCC[C@@H]([NH3+])C2)n1 ZINC000061514743 132502509 /nfs/dbraw/zinc/50/25/09/132502509.db2.gz GASFQRYKKXCRMN-ZCFIWIBFSA-N 1 0 243.698 0.461 10 0 BCAERO O=C(NC[C@@H]1CCC[C@H]1O)[C@H]1CCC[NH2+]1 ZINC000157566920 133488169 /nfs/dbraw/zinc/48/81/69/133488169.db2.gz ITAJELBABIXTPJ-IVZWLZJFSA-N 1 0 212.293 0.016 10 0 BCAERO C[N@H+](CC1(O)CCOCC1)[C@@H]1CCOC1 ZINC000162245821 133519789 /nfs/dbraw/zinc/51/97/89/133519789.db2.gz AVUXBQZCEKKSBA-SNVBAGLBSA-N 1 0 215.293 0.249 10 0 BCAERO C[N@H+](CC1(O)CCOCC1)[C@H]1CCOC1 ZINC000162245920 133519822 /nfs/dbraw/zinc/51/98/22/133519822.db2.gz AVUXBQZCEKKSBA-JTQLQIEISA-N 1 0 215.293 0.249 10 0 BCAERO CC[NH2+]CCNc1nc(C)cc(OC)n1 ZINC000166459490 133922517 /nfs/dbraw/zinc/92/25/17/133922517.db2.gz WFEARLLMZLWNLS-UHFFFAOYSA-N 1 0 210.281 0.815 10 0 BCAERO O=C1CC[C@@H]2C[N@H+]([C@H]3CCCC[C@H]3O)CCN12 ZINC000168459431 134198079 /nfs/dbraw/zinc/19/80/79/134198079.db2.gz ZQHCYKFWTFKKNB-GRYCIOLGSA-N 1 0 238.331 0.597 10 0 BCAERO Cc1cc(CNC(=O)[C@@H]2CC[C@@H]([NH3+])C2)on1 ZINC000085012429 134221224 /nfs/dbraw/zinc/22/12/24/134221224.db2.gz WWLOHQOILNBAHJ-RKDXNWHRSA-N 1 0 223.276 0.727 10 0 BCAERO [NH3+][C@H]1CC[C@H](C(=O)NCc2cscn2)C1 ZINC000085013299 134221618 /nfs/dbraw/zinc/22/16/18/134221618.db2.gz LRFWLSZKRFODFH-YUMQZZPRSA-N 1 0 225.317 0.887 10 0 BCAERO COc1cc(N2CC[C@H]([C@H](C)[NH3+])C2)ncn1 ZINC000168573976 134227036 /nfs/dbraw/zinc/22/70/36/134227036.db2.gz SQBRECFSDOUAJG-IUCAKERBSA-N 1 0 222.292 0.659 10 0 BCAERO CCc1nc(CN2CC[N@@H+]3CCC[C@@H]3C2)no1 ZINC000171638081 134257702 /nfs/dbraw/zinc/25/77/02/134257702.db2.gz FHCZFDVSDGPMIA-SNVBAGLBSA-N 1 0 236.319 0.912 10 0 BCAERO C[C@H]1C[N@H+](CC(C)(C)O)CCN1CC(C)(C)O ZINC000171438497 134258368 /nfs/dbraw/zinc/25/83/68/134258368.db2.gz YJEHSHFHIVEPDI-NSHDSACASA-N 1 0 244.379 0.534 10 0 BCAERO Cn1cc([C@H]2CCN(C(=O)C[NH+](C)C)C2)cn1 ZINC000172137690 134262261 /nfs/dbraw/zinc/26/22/61/134262261.db2.gz UNLBSINKWDZCJG-JTQLQIEISA-N 1 0 236.319 0.298 10 0 BCAERO Cc1cccc(CC(=O)NC2C[NH2+]C2)c1 ZINC000085256064 134265281 /nfs/dbraw/zinc/26/52/81/134265281.db2.gz JFPFRGPBOSBYJK-UHFFFAOYSA-N 1 0 204.273 0.626 10 0 BCAERO Cc1ncsc1C(=O)N(C)C1C[NH2+]C1 ZINC000085257645 134269365 /nfs/dbraw/zinc/26/93/65/134269365.db2.gz XUAJLHORBYBSLV-UHFFFAOYSA-N 1 0 211.290 0.495 10 0 BCAERO CN(C(=O)c1cc(Cl)cn1C)C1C[NH2+]C1 ZINC000085257736 134269780 /nfs/dbraw/zinc/26/97/80/134269780.db2.gz NJRYITCNEPYDIW-UHFFFAOYSA-N 1 0 227.695 0.722 10 0 BCAERO Cc1cccc(CC(=O)N(C)C2C[NH2+]C2)c1 ZINC000085257744 134269959 /nfs/dbraw/zinc/26/99/59/134269959.db2.gz QPTWYLWZZIIPAV-UHFFFAOYSA-N 1 0 218.300 0.968 10 0 BCAERO Cc1ccc(C(=O)N(C)C2C[NH2+]C2)cn1 ZINC000085257776 134270533 /nfs/dbraw/zinc/27/05/33/134270533.db2.gz DQCZLGYMFZGQGY-UHFFFAOYSA-N 1 0 205.261 0.434 10 0 BCAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NS(=O)(=O)N(C)C)C1 ZINC000174004017 134280632 /nfs/dbraw/zinc/28/06/32/134280632.db2.gz DOJVSNVSRHLCMW-ZJUUUORDSA-N 1 0 249.380 0.111 10 0 BCAERO CC(=O)CC[N@H+]1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000177225208 134296459 /nfs/dbraw/zinc/29/64/59/134296459.db2.gz YGRLQWKKMLHCMX-YPMHNXCESA-N 1 0 240.347 0.618 10 0 BCAERO C[C@@H]1C[N@H+](CCCCO)C[C@@H]1N1CCOCC1 ZINC000177245678 134296580 /nfs/dbraw/zinc/29/65/80/134296580.db2.gz RLOIRPQEHPQMHF-OLZOCXBDSA-N 1 0 242.363 0.411 10 0 BCAERO C[C@@H](O)CCC[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000220599731 134309636 /nfs/dbraw/zinc/30/96/36/134309636.db2.gz AUKTZPOCWZEEAW-CHWSQXEVSA-N 1 0 242.363 0.554 10 0 BCAERO C[C@@H](O)CC[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000220598451 134309658 /nfs/dbraw/zinc/30/96/58/134309658.db2.gz IRIYUXQHEPPZCZ-VXGBXAGGSA-N 1 0 228.336 0.164 10 0 BCAERO CCO[C@@H]1C[C@H]1C(=O)N1CCC[C@H]([NH2+]C)C1 ZINC000178607206 134312043 /nfs/dbraw/zinc/31/20/43/134312043.db2.gz IUWDDVJAHQVNPF-HBNTYKKESA-N 1 0 226.320 0.622 10 0 BCAERO C[C@@H]([NH3+])CCNC(=O)COCC(F)(F)F ZINC000178627971 134312221 /nfs/dbraw/zinc/31/22/21/134312221.db2.gz JHUOBPVJAJFXBN-ZCFIWIBFSA-N 1 0 228.214 0.419 10 0 BCAERO C[C@@H]([NH3+])CCNC(=O)C(F)(F)C(F)F ZINC000178646345 134312557 /nfs/dbraw/zinc/31/25/57/134312557.db2.gz FJDNRYSLLGJBNZ-SCSAIBSYSA-N 1 0 216.178 0.740 10 0 BCAERO CCOC(=O)CCCC[N@@H+]1C[C@@H](O)C[C@@H]1CO ZINC000179182592 134318100 /nfs/dbraw/zinc/31/81/00/134318100.db2.gz PJOSJGFOFUBRJM-MNOVXSKESA-N 1 0 245.319 0.147 10 0 BCAERO OC[C@H]1C[N@H+](CC[C@@H]2CCCO2)CCO1 ZINC000221201537 134322698 /nfs/dbraw/zinc/32/26/98/134322698.db2.gz UFZHLZYDYLNNAR-WDEREUQCSA-N 1 0 215.293 0.249 10 0 BCAERO COC[C@@H]([NH2+][C@@H]1CCc2ncnn2C1)C1CC1 ZINC000180581176 134329756 /nfs/dbraw/zinc/32/97/56/134329756.db2.gz CYYPXRFNCCRSDT-GHMZBOCLSA-N 1 0 236.319 0.608 10 0 BCAERO COCCN(CCOC)C(=O)[C@H]1CCC[C@@H]1[NH3+] ZINC000085358990 134343730 /nfs/dbraw/zinc/34/37/30/134343730.db2.gz IJIPXTWINUNGTP-QWRGUYRKSA-N 1 0 244.335 0.235 10 0 BCAERO C[C@H](O)[C@@H]1CC[N@H+](C[C@H](O)COC(C)(C)C)C1 ZINC000183152603 134348955 /nfs/dbraw/zinc/34/89/55/134348955.db2.gz JOCNKZXHGOLZRT-TUAOUCFPSA-N 1 0 245.363 0.865 10 0 BCAERO CC(C)n1cc(C[NH2+][C@H]2CCCNC2=O)cn1 ZINC000226243255 134362202 /nfs/dbraw/zinc/36/22/02/134362202.db2.gz GDJACKGNJOPLGL-NSHDSACASA-N 1 0 236.319 0.832 10 0 BCAERO Cc1c(CNC(=O)[C@H]2CC[C@@H]([NH3+])C2)cnn1C ZINC000226413685 134365571 /nfs/dbraw/zinc/36/55/71/134365571.db2.gz HWTULIQBYXNOMQ-GXSJLCMTSA-N 1 0 236.319 0.472 10 0 BCAERO COC(=O)CCN1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000226642610 134368776 /nfs/dbraw/zinc/36/87/76/134368776.db2.gz NVSGMMMIQDNLHB-QWRGUYRKSA-N 1 0 226.320 0.718 10 0 BCAERO CC[C@H](C(N)=O)N1C[C@@H](C)[C@H]([NH+](C)C)C1 ZINC000227235686 134376499 /nfs/dbraw/zinc/37/64/99/134376499.db2.gz KEMFMNAFWQIBOQ-OPRDCNLKSA-N 1 0 213.325 0.132 10 0 BCAERO Cn1cc(CC[N@@H+]2CC[C@@H](CCO)C2)cn1 ZINC000227567131 134383478 /nfs/dbraw/zinc/38/34/78/134383478.db2.gz BXDIPQHRHSAPGJ-NSHDSACASA-N 1 0 223.320 0.667 10 0 BCAERO CCOC[C@H](O)C[N@@H+]1CC[C@@H](CCO)C1 ZINC000227576317 134385431 /nfs/dbraw/zinc/38/54/31/134385431.db2.gz CNMMXWFILNFELA-WDEREUQCSA-N 1 0 217.309 0.088 10 0 BCAERO Cc1nccc(CNC[C@](C)(O)C[NH+](C)C)n1 ZINC000227934472 134399554 /nfs/dbraw/zinc/39/95/54/134399554.db2.gz LCALDAROTMPMHZ-LBPRGKRZSA-N 1 0 238.335 0.187 10 0 BCAERO CS[C@H](CO)[C@@H](C)[NH2+]Cc1ccnc(C)n1 ZINC000228327304 134409662 /nfs/dbraw/zinc/40/96/62/134409662.db2.gz OXFIUNVSCXQFHA-LDYMZIIASA-N 1 0 241.360 0.987 10 0 BCAERO CC(=O)NCCCNC(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000151738246 134478850 /nfs/dbraw/zinc/47/88/50/134478850.db2.gz QDBJEYMDSBHYPG-QWRGUYRKSA-N 1 0 241.335 0.146 10 0 BCAERO COCC[C@H](C)[NH2+]C[C@@H]1CN(C)CCO1 ZINC000085790206 134543984 /nfs/dbraw/zinc/54/39/84/134543984.db2.gz GWRMAOCZWNFTKS-WDEREUQCSA-N 1 0 216.325 0.332 10 0 BCAERO CCCCS(=O)(=O)N1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000232998788 134557471 /nfs/dbraw/zinc/55/74/71/134557471.db2.gz YBNGPKUIDMNCEY-BDAKNGLRSA-N 1 0 220.338 0.395 10 0 BCAERO Cc1ncc(C(=O)N2C[C@@H](C)[C@@H]([NH3+])C2)s1 ZINC000235379591 134590690 /nfs/dbraw/zinc/59/06/90/134590690.db2.gz OKOJBXGWITUTLQ-SVRRBLITSA-N 1 0 225.317 0.871 10 0 BCAERO C[C@H]1CN(C(=O)Cc2ccccc2O)C[C@H]1[NH3+] ZINC000235627068 134596209 /nfs/dbraw/zinc/59/62/09/134596209.db2.gz YLZZCBSGYUXKIJ-GXSJLCMTSA-N 1 0 234.299 0.740 10 0 BCAERO C[C@H]1CN(C(=O)c2cccc(C(N)=O)c2)C[C@H]1[NH3+] ZINC000235657344 134596575 /nfs/dbraw/zinc/59/65/75/134596575.db2.gz AZZQHGGHJSWIST-GZMMTYOYSA-N 1 0 247.298 0.205 10 0 BCAERO COC[C@H](C)C(=O)N[C@H](C[NH3+])CC(C)C ZINC000155461541 134692706 /nfs/dbraw/zinc/69/27/06/134692706.db2.gz HDNWPJFPUCGONS-UWVGGRQHSA-N 1 0 216.325 0.759 10 0 BCAERO COc1cc(OC)nc(NC[C@H]([NH3+])C(C)C)n1 ZINC000135010159 134730083 /nfs/dbraw/zinc/73/00/83/134730083.db2.gz ZXASRRUMTSNVSN-QMMMGPOBSA-N 1 0 240.307 0.889 10 0 BCAERO Cc1nnc(N(C)CC(C)(C)C[NH3+])nc1C ZINC000158982328 134758174 /nfs/dbraw/zinc/75/81/74/134758174.db2.gz IGXOEVFIOJHFEL-UHFFFAOYSA-N 1 0 223.324 0.910 10 0 BCAERO O=C(NCC[C@H]1CCC[NH2+]1)c1cnsn1 ZINC000159236571 134767190 /nfs/dbraw/zinc/76/71/90/134767190.db2.gz PGEHIHRSVDVKLN-SSDOTTSWSA-N 1 0 226.305 0.410 10 0 BCAERO Cc1nn(C)c(C)c1[C@@H]1[C@H](C[NH3+])CC(=O)N1C ZINC000407986754 134806493 /nfs/dbraw/zinc/80/64/93/134806493.db2.gz HBSGPEVWESZUHC-CABZTGNLSA-N 1 0 236.319 0.515 10 0 BCAERO CN(CC(F)(F)F)C(=O)[C@H]1CC[NH2+]C1 ZINC000062114236 134807875 /nfs/dbraw/zinc/80/78/75/134807875.db2.gz RMBPZHWKZBAGED-LURJTMIESA-N 1 0 210.199 0.617 10 0 BCAERO CC(C)OCC(=O)N1CCC[C@H]([NH3+])C1 ZINC000157658249 134821530 /nfs/dbraw/zinc/82/15/30/134821530.db2.gz AEABTKIMRRVYQA-VIFPVBQESA-N 1 0 200.282 0.361 10 0 BCAERO CC[NH+](CC)CCCSC[C@@H](O)CO ZINC000194551020 134828558 /nfs/dbraw/zinc/82/85/58/134828558.db2.gz IRTAEJHWBOVPML-JTQLQIEISA-N 1 0 221.366 0.805 10 0 BCAERO CC(C)[C@H]([NH3+])CNc1ccnc(C(N)=O)c1 ZINC000070010754 134906556 /nfs/dbraw/zinc/90/65/56/134906556.db2.gz NHQZCVHOJZMUFG-SECBINFHSA-N 1 0 222.292 0.576 10 0 BCAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1CCC1OCCO1 ZINC000248599803 135015447 /nfs/dbraw/zinc/01/54/47/135015447.db2.gz BWYPVPFWNJUZIV-NEPJUHHUSA-N 1 0 240.347 0.918 10 0 BCAERO C[C@H](c1ccccn1)[N@@H+]1C[C@@H](O)C[C@@H]1CO ZINC000249349500 135037357 /nfs/dbraw/zinc/03/73/57/135037357.db2.gz PKXCZIYNUURWJV-MXWKQRLJSA-N 1 0 222.288 0.570 10 0 BCAERO CCO[C@H](C)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000249843012 135045925 /nfs/dbraw/zinc/04/59/25/135045925.db2.gz ZBBUEYJSWBHLFE-MNOVXSKESA-N 1 0 226.320 0.718 10 0 BCAERO O=C([C@H]1CCOC1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000249819171 135046331 /nfs/dbraw/zinc/04/63/31/135046331.db2.gz DYNAZGAZQHKEGF-WDEREUQCSA-N 1 0 224.304 0.330 10 0 BCAERO Cc1cccc(C(=O)N2C[C@H](C)[C@H]([NH3+])C2)n1 ZINC000235659632 135049101 /nfs/dbraw/zinc/04/91/01/135049101.db2.gz HPZXPPVGRMMGST-WCBMZHEXSA-N 1 0 219.288 0.809 10 0 BCAERO COC(=O)[C@@H]1CC[N@@H+]([C@H]2CCCC[C@H]2O)C1 ZINC000250368690 135052207 /nfs/dbraw/zinc/05/22/07/135052207.db2.gz MOBCMRALLUGTHI-OUAUKWLOSA-N 1 0 227.304 0.785 10 0 BCAERO CC(=O)N1CCC[N@@H+]([C@H]2CCCC[C@H]2O)CC1 ZINC000250756701 135058868 /nfs/dbraw/zinc/05/88/68/135058868.db2.gz LTWAYSJAVJLTCP-QWHCGFSZSA-N 1 0 240.347 0.844 10 0 BCAERO COC(=O)[C@H](C)C[N@@H+]1CCCC[C@H]1C(N)=O ZINC000251121297 135064294 /nfs/dbraw/zinc/06/42/94/135064294.db2.gz RDERANRTBWYUMF-BDAKNGLRSA-N 1 0 228.292 0.135 10 0 BCAERO COC(=O)[C@H](C)CN1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000251678901 135073257 /nfs/dbraw/zinc/07/32/57/135073257.db2.gz HSSFMWNQAAMHAH-UTUOFQBUSA-N 1 0 240.347 0.964 10 0 BCAERO C[C@@H]1CN(C[C@H](O)C(F)(F)F)C[C@H]1[NH+](C)C ZINC000251659354 135073594 /nfs/dbraw/zinc/07/35/94/135073594.db2.gz GURMGGMHBJAJHR-HLTSFMKQSA-N 1 0 240.269 0.792 10 0 BCAERO C[C@@H]1C[C@@H]([NH2+][C@H]2CCCNC2=O)CCO1 ZINC000252156336 135085707 /nfs/dbraw/zinc/08/57/07/135085707.db2.gz PEMAUNKMGGDPFJ-UTLUCORTSA-N 1 0 212.293 0.422 10 0 BCAERO C[C@@H]1CCC[C@@H]1NC(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000252173037 135086158 /nfs/dbraw/zinc/08/61/58/135086158.db2.gz OIQHWHQHDMAGAF-XFWSIPNHSA-N 1 0 212.293 0.014 10 0 BCAERO Cc1c(CN2C[C@@H](C)[NH2+][C@H](C)C2)cnn1C ZINC000086552439 135089662 /nfs/dbraw/zinc/08/96/62/135089662.db2.gz JPYSPJWGFJBARY-NXEZZACHSA-N 1 0 222.336 0.911 10 0 BCAERO Cc1c(CN(C)[C@@H]2CC[NH2+]C2)cnn1C ZINC000086552432 135089765 /nfs/dbraw/zinc/08/97/65/135089765.db2.gz HHPVLVMRUJOZPV-LLVKDONJSA-N 1 0 208.309 0.522 10 0 BCAERO Cc1c(C[NH2+][C@H]2CCCNC2=O)cnn1C ZINC000086552051 135089811 /nfs/dbraw/zinc/08/98/11/135089811.db2.gz LPJQIJBUJFYFAH-JTQLQIEISA-N 1 0 222.292 0.097 10 0 BCAERO CCOC[C@H](O)CN(C)C[C@H]1CCC[N@@H+]1CC ZINC000252579856 135091925 /nfs/dbraw/zinc/09/19/25/135091925.db2.gz OUXQUEAWODJEDI-CHWSQXEVSA-N 1 0 244.379 0.800 10 0 BCAERO CN1CCO[C@H](C[NH2+][C@H]2CCCOCC2)C1 ZINC000252556277 135092004 /nfs/dbraw/zinc/09/20/04/135092004.db2.gz STVWDWXZGMVEAM-NWDGAFQWSA-N 1 0 228.336 0.476 10 0 BCAERO CCOC[C@H](O)CN1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000252674987 135095454 /nfs/dbraw/zinc/09/54/54/135095454.db2.gz WNFRUTIRFGRCKB-FRRDWIJNSA-N 1 0 242.363 0.552 10 0 BCAERO [NH3+]C[C@H]1CN(c2ccncc2Cl)CCO1 ZINC000086832921 135097543 /nfs/dbraw/zinc/09/75/43/135097543.db2.gz PXISVXDNODASLX-QMMMGPOBSA-N 1 0 227.695 0.899 10 0 BCAERO CCC[C@@H](O)CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000086933255 135103399 /nfs/dbraw/zinc/10/33/99/135103399.db2.gz CDLHOIKLIFYTIX-VXGBXAGGSA-N 1 0 212.337 0.927 10 0 BCAERO CO[C@H](C)[C@H](C)[NH2+]C[C@H]1CN(C)CCO1 ZINC000252729862 135104040 /nfs/dbraw/zinc/10/40/40/135104040.db2.gz IQJBKWLKZCMYOT-AXFHLTTASA-N 1 0 216.325 0.330 10 0 BCAERO C[C@@H]1OCC[C@H]1NC(=O)C[C@H]1CC[NH2+]C1 ZINC000252738387 135105811 /nfs/dbraw/zinc/10/58/11/135105811.db2.gz DFBUBLRKTHFMSG-IVZWLZJFSA-N 1 0 212.293 0.280 10 0 BCAERO CC1(CNC(=O)[C@H]2CCC[C@@H]2[NH3+])COC1 ZINC000087197984 135112026 /nfs/dbraw/zinc/11/20/26/135112026.db2.gz ZYEULNKGEPYMLD-IUCAKERBSA-N 1 0 212.293 0.267 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)NC[C@@]1(C)CCCO1 ZINC000087253840 135114005 /nfs/dbraw/zinc/11/40/05/135114005.db2.gz LGYBCWSYBQXTIZ-MWLCHTKSSA-N 1 0 214.309 0.799 10 0 BCAERO COC[C@H]([NH3+])C(=O)N1C[C@@H](C)C[C@H]1C ZINC000253072602 135120142 /nfs/dbraw/zinc/12/01/42/135120142.db2.gz OEDRSROJPSQRNN-YIZRAAEISA-N 1 0 200.282 0.217 10 0 BCAERO COC(=O)[C@H](C)C[N@@H+]1CCC[C@](C)(O)C1 ZINC000253082436 135120223 /nfs/dbraw/zinc/12/02/23/135120223.db2.gz XEDIKBSFVIBBCH-KOLCDFICSA-N 1 0 215.293 0.642 10 0 BCAERO CC1(C)C[N@@H+]([C@H]2CCOC2)C[C@H](CO)O1 ZINC000253125734 135122135 /nfs/dbraw/zinc/12/21/35/135122135.db2.gz LKDDBQLJFIUEHN-VHSXEESVSA-N 1 0 215.293 0.247 10 0 BCAERO C[C@H](O)CCNC(=O)[C@H]1C[C@H](C)CC[NH2+]1 ZINC000253152331 135122304 /nfs/dbraw/zinc/12/23/04/135122304.db2.gz JBTRCNLYKUWBOM-KXUCPTDWSA-N 1 0 214.309 0.262 10 0 BCAERO C[C@H](O)CCNC(=O)[C@@H]1C[C@H](C)CC[NH2+]1 ZINC000253152332 135122324 /nfs/dbraw/zinc/12/23/24/135122324.db2.gz JBTRCNLYKUWBOM-UTLUCORTSA-N 1 0 214.309 0.262 10 0 BCAERO C[C@H]1CCN(c2ccnc(C(N)=O)c2)C[C@H]1C[NH3+] ZINC000253192700 135123722 /nfs/dbraw/zinc/12/37/22/135123722.db2.gz NOKQWNPLSVINIZ-VHSXEESVSA-N 1 0 248.330 0.602 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)N[C@@H](C)CCCO ZINC000087360252 135124895 /nfs/dbraw/zinc/12/48/95/135124895.db2.gz HQPTYABNTLVJIZ-DTWKUNHWSA-N 1 0 202.298 0.391 10 0 BCAERO CC[C@H](CCO)CNC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000087370036 135127206 /nfs/dbraw/zinc/12/72/06/135127206.db2.gz XJALUZKFUFBIES-VWYCJHECSA-N 1 0 228.336 0.639 10 0 BCAERO [NH3+]C[C@@H]1CCCN1C(=O)C[C@H]1CCCCO1 ZINC000087420114 135137350 /nfs/dbraw/zinc/13/73/50/135137350.db2.gz JUQHKLLIBYSRMJ-WDEREUQCSA-N 1 0 226.320 0.895 10 0 BCAERO Cc1cccc(N2CCN([C@@H]3CC[NH2+]C3)CC2)n1 ZINC000257691949 135139520 /nfs/dbraw/zinc/13/95/20/135139520.db2.gz JHPMKZUAISYUBP-CYBMUJFWSA-N 1 0 246.358 0.874 10 0 BCAERO Cc1c(CN2CC[C@]3(CC[NH2+]C3)C2)cnn1C ZINC000257701176 135140265 /nfs/dbraw/zinc/14/02/65/135140265.db2.gz QBSMUQRKEPEYSB-ZDUSSCGKSA-N 1 0 234.347 0.914 10 0 BCAERO Cc1cc(NC(=O)[C@H]2CC[C@@H]([NH3+])C2)nn1C ZINC000257714282 135141186 /nfs/dbraw/zinc/14/11/86/135141186.db2.gz SPHONUXSIKGXNA-DTWKUNHWSA-N 1 0 222.292 0.794 10 0 BCAERO COC(=O)C[C@@H]1CSCC[N@@H+]1[C@@H]1CCOC1 ZINC000259819556 135144732 /nfs/dbraw/zinc/14/47/32/135144732.db2.gz WHVIRNIXUYMJAP-NXEZZACHSA-N 1 0 245.344 0.756 10 0 BCAERO C[C@@H]1C[C@H](CNC(=O)C2C[NH2+]C2)CCO1 ZINC000261545731 135149987 /nfs/dbraw/zinc/14/99/87/135149987.db2.gz KGIMYWQVUBAOQO-RKDXNWHRSA-N 1 0 212.293 0.137 10 0 BCAERO CSC[C@H](C)C(=O)N(C)C1C[NH2+]C1 ZINC000261527415 135152141 /nfs/dbraw/zinc/15/21/41/135152141.db2.gz AZVOIWBIYCRDEO-ZETCQYMHSA-N 1 0 202.323 0.416 10 0 BCAERO CSCC(=O)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261528030 135152674 /nfs/dbraw/zinc/15/26/74/135152674.db2.gz IXIAWIMTHBTGGE-MRVPVSSYSA-N 1 0 216.350 0.935 10 0 BCAERO CCCSCC(=O)NC[C@H]1CC[NH2+]C1 ZINC000261528296 135153353 /nfs/dbraw/zinc/15/33/53/135153353.db2.gz MGDUDAJNWRBAPC-VIFPVBQESA-N 1 0 216.350 0.855 10 0 BCAERO CCCS(=O)(=O)N1CC[C@H]([NH3+])[C@H]1C ZINC000261529244 135154943 /nfs/dbraw/zinc/15/49/43/135154943.db2.gz QHZDKZZVRXCIHZ-SFYZADRCSA-N 1 0 206.311 0.148 10 0 BCAERO Cc1cc(N2C[C@@H](C)[C@H]([NH3+])C2)nc(C)n1 ZINC000261530129 135157362 /nfs/dbraw/zinc/15/73/62/135157362.db2.gz CBDPLINTLLMZGP-GMSGAONNSA-N 1 0 206.293 0.877 10 0 BCAERO C[C@H]([NH3+])CC(=O)N1[C@H](C)COC[C@H]1C ZINC000261531069 135158847 /nfs/dbraw/zinc/15/88/47/135158847.db2.gz FBMXXNWAUWBLOU-DJLDLDEBSA-N 1 0 200.282 0.360 10 0 BCAERO C[C@H]([NH3+])CC(=O)N1[C@@H](C)COC[C@@H]1C ZINC000261531068 135159066 /nfs/dbraw/zinc/15/90/66/135159066.db2.gz FBMXXNWAUWBLOU-CIUDSAMLSA-N 1 0 200.282 0.360 10 0 BCAERO FC(F)(F)CN1CC[C@@H](C[NH2+]C2COC2)C1 ZINC000087597224 135159562 /nfs/dbraw/zinc/15/95/62/135159562.db2.gz OQYMEKRVJDCIEH-QMMMGPOBSA-N 1 0 238.253 0.859 10 0 BCAERO COCCC(=O)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261531755 135161282 /nfs/dbraw/zinc/16/12/82/135161282.db2.gz HTKTUZHFDFPPMN-VIFPVBQESA-N 1 0 214.309 0.609 10 0 BCAERO C[C@H](C[NH3+])C(=O)N1[C@@H](C)COC[C@@H]1C ZINC000261531900 135161877 /nfs/dbraw/zinc/16/18/77/135161877.db2.gz IHUQDEJHQYQEPN-VGMNWLOBSA-N 1 0 200.282 0.217 10 0 BCAERO Cc1noc(C)c1C(=O)NC[C@H]1CC[NH2+]C1 ZINC000087655020 135162173 /nfs/dbraw/zinc/16/21/73/135162173.db2.gz NUOAYQUKVJSJNS-VIFPVBQESA-N 1 0 223.276 0.631 10 0 BCAERO [NH3+][C@@H]1CCC[C@H]1C(=O)NC[C@H](O)C(F)(F)F ZINC000261532689 135163118 /nfs/dbraw/zinc/16/31/18/135163118.db2.gz CHXUBPOAWFLDPQ-QYNIQEEDSA-N 1 0 240.225 0.153 10 0 BCAERO CC1(C)CN(Cc2noc(CN)n2)CCO1 ZINC000261532984 135163912 /nfs/dbraw/zinc/16/39/12/135163912.db2.gz FGUKXBVJASSJIK-UHFFFAOYSA-N 1 0 226.280 0.139 10 0 BCAERO COC[C@H](C)C(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000261533178 135164201 /nfs/dbraw/zinc/16/42/01/135164201.db2.gz AVYGVODRBLBDCQ-IVZWLZJFSA-N 1 0 214.309 0.478 10 0 BCAERO C[C@H]1CN(CC(=O)NC2CCCC2)C[C@H]1[NH3+] ZINC000261532982 135164460 /nfs/dbraw/zinc/16/44/60/135164460.db2.gz FGNYGMZSGPKRLH-GXSJLCMTSA-N 1 0 225.336 0.324 10 0 BCAERO CC[C@@H]1CC[C@@H](C(=O)N(C)C2C[NH2+]C2)O1 ZINC000261533499 135165185 /nfs/dbraw/zinc/16/51/85/135165185.db2.gz BDXNRRZVJZUTCF-ZJUUUORDSA-N 1 0 212.293 0.374 10 0 BCAERO COC(=O)[C@@H](C)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261534064 135165544 /nfs/dbraw/zinc/16/55/44/135165544.db2.gz LRQDWZAIWGOJML-BDAKNGLRSA-N 1 0 214.309 0.607 10 0 BCAERO C[C@H]([NH3+])[C@H](C)C(=O)N1CCC([C@H](C)O)CC1 ZINC000261533675 135165927 /nfs/dbraw/zinc/16/59/27/135165927.db2.gz JTUWWBBHERYOTC-GUBZILKMSA-N 1 0 228.336 0.589 10 0 BCAERO CO[C@@H]1C[NH+](C[C@@H]2CCC[NH2+]C2)C[C@H]1OC ZINC000261534278 135166795 /nfs/dbraw/zinc/16/67/95/135166795.db2.gz PHFZMTPAYJXPPW-IJLUTSLNSA-N 1 0 228.336 0.332 10 0 BCAERO CCS(=O)(=O)CCN1CC[C@H](C)C[C@H]1C[NH3+] ZINC000261534993 135168994 /nfs/dbraw/zinc/16/89/94/135168994.db2.gz VKEHFWREIMZILQ-QWRGUYRKSA-N 1 0 248.392 0.480 10 0 BCAERO CCCS(=O)(=O)N1CC[C@H](C)C[C@H]1C[NH3+] ZINC000261536556 135172374 /nfs/dbraw/zinc/17/23/74/135172374.db2.gz SCWCQYMIOVXNQH-UWVGGRQHSA-N 1 0 234.365 0.785 10 0 BCAERO COC[C@@H]([NH3+])C(=O)NCC1(C(C)C)CC1 ZINC000261537011 135172846 /nfs/dbraw/zinc/17/28/46/135172846.db2.gz UNRNFXHUPILMEX-SECBINFHSA-N 1 0 214.309 0.513 10 0 BCAERO COc1ccnc(N2C[C@@H](C)[C@H]([NH3+])C2)n1 ZINC000261537085 135173527 /nfs/dbraw/zinc/17/35/27/135173527.db2.gz UURZGYHCSSCTCB-HTQZYQBOSA-N 1 0 208.265 0.269 10 0 BCAERO C[C@]1(C[NH3+])CCN(C(=O)NC2CCC2)C1 ZINC000261537935 135174260 /nfs/dbraw/zinc/17/42/60/135174260.db2.gz WUHGSFTWNZGVCT-LLVKDONJSA-N 1 0 211.309 0.919 10 0 BCAERO CC(C)CNC(=O)CN1C[C@H](C)[C@H]([NH3+])C1 ZINC000261538503 135176097 /nfs/dbraw/zinc/17/60/97/135176097.db2.gz YHMVTSCPPAVKDZ-VHSXEESVSA-N 1 0 213.325 0.038 10 0 BCAERO CCCNC(=O)[C@H](C)N1C[C@H]([NH3+])[C@@H](C)C1 ZINC000261538566 135176139 /nfs/dbraw/zinc/17/61/39/135176139.db2.gz YOXHTGXGFAYGAR-GUBZILKMSA-N 1 0 213.325 0.180 10 0 BCAERO C[C@@H]1CCCN(C(=O)COC2C[NH2+]C2)C1 ZINC000261538966 135177325 /nfs/dbraw/zinc/17/73/25/135177325.db2.gz BFRTVOYSPAKUQI-SECBINFHSA-N 1 0 212.293 0.233 10 0 BCAERO O=C(N[C@@H]1CCC[NH2+]C1)[C@H]1C[C@H]1C1CC1 ZINC000261540020 135178879 /nfs/dbraw/zinc/17/88/79/135178879.db2.gz DOCMQHJPJKHPGO-VWYCJHECSA-N 1 0 208.305 0.901 10 0 BCAERO C[C@H](O)C1CCN(C(=O)[C@H]2CC[C@H]([NH3+])C2)CC1 ZINC000261540145 135179210 /nfs/dbraw/zinc/17/92/10/135179210.db2.gz DXAMFMWQQNHQIL-DLOVCJGASA-N 1 0 240.347 0.733 10 0 BCAERO Cc1nc([C@@H](C)NC(=O)C2C[NH2+]C2)cs1 ZINC000261541077 135180764 /nfs/dbraw/zinc/18/07/64/135180764.db2.gz FLEYSFBBBFJKKU-ZCFIWIBFSA-N 1 0 225.317 0.848 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N1CCc2ccc(F)cc21 ZINC000261541875 135181862 /nfs/dbraw/zinc/18/18/62/135181862.db2.gz LWIGJRMZDMDZHK-SNVBAGLBSA-N 1 0 238.262 0.689 10 0 BCAERO COc1cc(OC)nc(N2CC[C@H]([NH3+])[C@H]2C)n1 ZINC000261542750 135183267 /nfs/dbraw/zinc/18/32/67/135183267.db2.gz CLIQDANJXDDXGD-SFYZADRCSA-N 1 0 238.291 0.420 10 0 BCAERO C[NH2+][C@@H](C)CNC(=O)c1ncncc1Cl ZINC000261544881 135186134 /nfs/dbraw/zinc/18/61/34/135186134.db2.gz JHTOPJWXKVJWMT-LURJTMIESA-N 1 0 228.683 0.468 10 0 BCAERO O=C(N[C@H]1CC[NH2+]C1)c1ncncc1Cl ZINC000261548701 135187165 /nfs/dbraw/zinc/18/71/65/135187165.db2.gz NWMQHIJUVJIKRD-LURJTMIESA-N 1 0 226.667 0.222 10 0 BCAERO C[C@@H]1CN(C(=O)[C@H]2Cc3ccccc3O2)C[C@H]1[NH3+] ZINC000261548763 135187253 /nfs/dbraw/zinc/18/72/53/135187253.db2.gz DLUXBYZKFDCICJ-IRUJWGPZSA-N 1 0 246.310 0.796 10 0 BCAERO C[C@@H]1CCN(c2ncnc3nc[nH]c32)[C@H](C[NH3+])C1 ZINC000261551206 135189791 /nfs/dbraw/zinc/18/97/91/135189791.db2.gz TYCBDAMHXSHTEG-BDAKNGLRSA-N 1 0 246.318 0.917 10 0 BCAERO CC[C@@H]1CCC[C@H]1NC(=O)[C@@H]([NH3+])COC ZINC000261552369 135190973 /nfs/dbraw/zinc/19/09/73/135190973.db2.gz RFZLKXMYUKUGLD-KXUCPTDWSA-N 1 0 214.309 0.655 10 0 BCAERO CSCC(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000084212565 135191968 /nfs/dbraw/zinc/19/19/68/135191968.db2.gz RDSGTZNNMPAREN-JGVFFNPUSA-N 1 0 202.323 0.593 10 0 BCAERO CSCC(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000084212563 135192107 /nfs/dbraw/zinc/19/21/07/135192107.db2.gz RDSGTZNNMPAREN-HTQZYQBOSA-N 1 0 202.323 0.593 10 0 BCAERO COC(=O)C[C@H](C)NC(=O)[C@H]1C[C@H](C)CC[NH2+]1 ZINC000261553260 135192704 /nfs/dbraw/zinc/19/27/04/135192704.db2.gz NRINLZJYPJSUMT-KXUCPTDWSA-N 1 0 242.319 0.442 10 0 BCAERO CN(C)c1nccc(N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)n1 ZINC000261554003 135193768 /nfs/dbraw/zinc/19/37/68/135193768.db2.gz ANURYRXIUKRAGK-HBNTYKKESA-N 1 0 247.346 0.716 10 0 BCAERO CC[C@H]([NH3+])C(=O)NC[C@@H]1CCC[C@H]1O ZINC000084238559 135194162 /nfs/dbraw/zinc/19/41/62/135194162.db2.gz SBQWUZWWROOMJC-XHNCKOQMSA-N 1 0 200.282 0.001 10 0 BCAERO O=C(C[C@@H]1CCC[NH2+]1)NC[C@H]1CCC[C@H]1O ZINC000084238273 135194376 /nfs/dbraw/zinc/19/43/76/135194376.db2.gz VJJGSPXWQNGWCP-OUAUKWLOSA-N 1 0 226.320 0.406 10 0 BCAERO O=C(NC[C@H]1CCC[C@@H]1O)[C@@H]1CCC[NH2+]1 ZINC000084238534 135194420 /nfs/dbraw/zinc/19/44/20/135194420.db2.gz ITAJELBABIXTPJ-UTLUCORTSA-N 1 0 212.293 0.016 10 0 BCAERO Cn1cc(C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cn1 ZINC000261554555 135194569 /nfs/dbraw/zinc/19/45/69/135194569.db2.gz OYNMPXOXUWYEOZ-INTQDDNPSA-N 1 0 234.303 0.229 10 0 BCAERO CCc1nnc(N2CC[C@@H]([NH3+])[C@@H]2C)nc1CC ZINC000261554921 135194641 /nfs/dbraw/zinc/19/46/41/135194641.db2.gz PKODXLHWQQZDFL-DTWKUNHWSA-N 1 0 235.335 0.922 10 0 BCAERO Cn1cc(C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cn1 ZINC000261554556 135194759 /nfs/dbraw/zinc/19/47/59/135194759.db2.gz OYNMPXOXUWYEOZ-JMJZKYOTSA-N 1 0 234.303 0.229 10 0 BCAERO Cc1cc(C)c(C(=O)N(C)C2C[NH2+]C2)[nH]1 ZINC000261555439 135195343 /nfs/dbraw/zinc/19/53/43/135195343.db2.gz UYJRLGFHPDCGNF-UHFFFAOYSA-N 1 0 207.277 0.675 10 0 BCAERO CN(C(=O)CN1CC[C@@H]2C[NH2+]C[C@H]2C1)C1CC1 ZINC000261556182 135196270 /nfs/dbraw/zinc/19/62/70/135196270.db2.gz QMWVJOPVSYFGAH-MNOVXSKESA-N 1 0 237.347 0.149 10 0 BCAERO COC[C@H]([NH3+])C(=O)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000261558539 135199308 /nfs/dbraw/zinc/19/93/08/135199308.db2.gz YKEJCMKQGNGMHZ-AXFHLTTASA-N 1 0 226.320 0.609 10 0 BCAERO C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)C1 ZINC000261558618 135199857 /nfs/dbraw/zinc/19/98/57/135199857.db2.gz YNIAPKKHKHUJKX-RHYQMDGZSA-N 1 0 212.337 0.735 10 0 BCAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)[C@H](O)c1ccccc1 ZINC000261560156 135200733 /nfs/dbraw/zinc/20/07/33/135200733.db2.gz UGMVNCFBCWYIAY-YUSALJHKSA-N 1 0 234.299 0.668 10 0 BCAERO Cc1cc(C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)nn1C ZINC000261560238 135200818 /nfs/dbraw/zinc/20/08/18/135200818.db2.gz FBSNOONMVWUXFL-GARJFASQSA-N 1 0 248.330 0.538 10 0 BCAERO Cc1nccn1CCNC(=O)[C@@H]1CCC[C@H]1[NH3+] ZINC000261560434 135200946 /nfs/dbraw/zinc/20/09/46/135200946.db2.gz UPNKZIAZFPXTTD-GHMZBOCLSA-N 1 0 236.319 0.435 10 0 BCAERO CCCNS(=O)(=O)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261561172 135201779 /nfs/dbraw/zinc/20/17/79/135201779.db2.gz AKRNGCHUBDFVEG-VIFPVBQESA-N 1 0 249.380 0.290 10 0 BCAERO C[C@@H]1COCCN1C(=O)CC[C@H]1CCC[NH2+]1 ZINC000261562429 135204672 /nfs/dbraw/zinc/20/46/72/135204672.db2.gz BHFTZDBMQVJTSX-GHMZBOCLSA-N 1 0 226.320 0.766 10 0 BCAERO CC(C)N(C)C(=O)CN1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261562741 135204753 /nfs/dbraw/zinc/20/47/53/135204753.db2.gz WNYLNDDBTVBXNQ-CYBMUJFWSA-N 1 0 239.363 0.539 10 0 BCAERO O=C(CC[C@@H]1CCC[NH2+]1)NC[C@H]1CCC[C@H]1O ZINC000261563755 135205228 /nfs/dbraw/zinc/20/52/28/135205228.db2.gz XJBGCFWBBNJYGF-GRYCIOLGSA-N 1 0 240.347 0.796 10 0 BCAERO Cn1cc([C@H]2CCC[N@@H+]2CCOCC[NH3+])cn1 ZINC000261563380 135205233 /nfs/dbraw/zinc/20/52/33/135205233.db2.gz XAAYUNXLJDOEDO-GFCCVEGCSA-N 1 0 238.335 0.532 10 0 BCAERO [NH3+][C@@H]1CC[C@H]2CN(C(=O)[C@H]3CCCO3)C[C@@H]12 ZINC000261564452 135205826 /nfs/dbraw/zinc/20/58/26/135205826.db2.gz COODKYLNEMJVAR-LNFKQOIKSA-N 1 0 224.304 0.361 10 0 BCAERO C[C@@H](C[NH3+])C(=O)N1CCC[C@H]1c1cnn(C)c1 ZINC000261565053 135206630 /nfs/dbraw/zinc/20/66/30/135206630.db2.gz YCKKXUMUBZFRMC-ONGXEEELSA-N 1 0 236.319 0.678 10 0 BCAERO CO[C@H]1CCN(C(=O)[C@H]2CCC[C@H]2[NH3+])C1 ZINC000261564868 135207081 /nfs/dbraw/zinc/20/70/81/135207081.db2.gz CVDRVSXQARLTAB-LPEHRKFASA-N 1 0 212.293 0.361 10 0 BCAERO [NH3+]C[C@@H]1CCCN1S(=O)(=O)c1ccco1 ZINC000261569686 135211359 /nfs/dbraw/zinc/21/13/59/135211359.db2.gz GKSCDGUOFMHZOT-QMMMGPOBSA-N 1 0 230.289 0.391 10 0 BCAERO CC1(C)CN(S(=O)(=O)CC2CC2)CC[C@H]1[NH3+] ZINC000261571291 135212893 /nfs/dbraw/zinc/21/28/93/135212893.db2.gz HKENWBHIPFBOOU-SNVBAGLBSA-N 1 0 246.376 0.785 10 0 BCAERO C[C@@H]1[C@H](C)SCCN1C(=O)C1C[NH2+]C1 ZINC000164134938 135213376 /nfs/dbraw/zinc/21/33/76/135213376.db2.gz GARKZDGGEPCOKK-SFYZADRCSA-N 1 0 214.334 0.558 10 0 BCAERO [NH3+]CC(=O)NC[C@H](O)c1cccc(Cl)c1 ZINC000261571689 135214203 /nfs/dbraw/zinc/21/42/03/135214203.db2.gz HSLLHXYZFPCWED-VIFPVBQESA-N 1 0 228.679 0.448 10 0 BCAERO CSCCCCNC(=O)C1C[NH2+]C1 ZINC000164143882 135215250 /nfs/dbraw/zinc/21/52/50/135215250.db2.gz RNURYHMYKDSFDN-UHFFFAOYSA-N 1 0 202.323 0.465 10 0 BCAERO C[C@H]([NH3+])CN1CCC[C@@H](n2cncn2)C1 ZINC000261574094 135215998 /nfs/dbraw/zinc/21/59/98/135215998.db2.gz JAYCSAHPLPAKKA-VHSXEESVSA-N 1 0 209.297 0.262 10 0 BCAERO CC1(C)CN(CC(=O)NC2CC2)CC[C@@H]1[NH3+] ZINC000261575047 135217000 /nfs/dbraw/zinc/21/70/00/135217000.db2.gz JOABZWHUJKQVJF-JTQLQIEISA-N 1 0 225.336 0.324 10 0 BCAERO O=C(C[C@@H]1CC[NH2+]C1)NC[C@@H]1CCC[C@@H]1O ZINC000084384402 135217273 /nfs/dbraw/zinc/21/72/73/135217273.db2.gz QOLAQUTWPCLNNS-DCAQKATOSA-N 1 0 226.320 0.263 10 0 BCAERO CCOC(=O)[C@@H](C)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261578215 135219115 /nfs/dbraw/zinc/21/91/15/135219115.db2.gz LPAYVWKEQOCDQS-NXEZZACHSA-N 1 0 228.336 0.997 10 0 BCAERO COC(=O)C[C@H](C)NC(=O)[C@H]1CCC[C@H]1[NH3+] ZINC000261578560 135219688 /nfs/dbraw/zinc/21/96/88/135219688.db2.gz LQWYLPJNZJWTPY-XHNCKOQMSA-N 1 0 228.292 0.182 10 0 BCAERO [NH3+]C[C@@H]1CCN(C(=O)[C@H]2C[C@@H]2C2CC2)C1 ZINC000261583029 135224068 /nfs/dbraw/zinc/22/40/68/135224068.db2.gz OUHYXQGTDFYHFJ-GDPRMGEGSA-N 1 0 208.305 0.840 10 0 BCAERO C[C@H]([NH3+])CN1CCC[C@@](O)(C(F)(F)F)C1 ZINC000261583379 135224125 /nfs/dbraw/zinc/22/41/25/135224125.db2.gz OYRODCHDQZRWJD-YUMQZZPRSA-N 1 0 226.242 0.723 10 0 BCAERO [NH3+]C[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2C2CC2)C1 ZINC000261583031 135224374 /nfs/dbraw/zinc/22/43/74/135224374.db2.gz OUHYXQGTDFYHFJ-JMJZKYOTSA-N 1 0 208.305 0.840 10 0 BCAERO [NH3+][C@@H]1CC[C@H]2CN(Cc3cc[nH]n3)C[C@H]12 ZINC000261583366 135224443 /nfs/dbraw/zinc/22/44/43/135224443.db2.gz OYJSFOZLWHZISI-INTQDDNPSA-N 1 0 206.293 0.579 10 0 BCAERO C[C@H]([NH3+])CC(=O)N[C@@H](C)C[C@@H]1CCCO1 ZINC000261583070 135224493 /nfs/dbraw/zinc/22/44/93/135224493.db2.gz OVHDURYXGAPDJD-GUBZILKMSA-N 1 0 214.309 0.798 10 0 BCAERO Cc1n[nH]c(C)c1CN1C[C@H](C)[C@H]([NH3+])C1 ZINC000261583547 135224544 /nfs/dbraw/zinc/22/45/44/135224544.db2.gz PCWQDMPOHSKHAD-WRWORJQWSA-N 1 0 208.309 0.806 10 0 BCAERO [NH3+]C[C@H]1CCCN1C(=O)C1CC(F)(F)C1 ZINC000261584889 135226279 /nfs/dbraw/zinc/22/62/79/135226279.db2.gz QDMBZXGFHZIDHB-MRVPVSSYSA-N 1 0 218.247 0.981 10 0 BCAERO COC[C@@]1(C(=O)N[C@H](C)C(C)C)CC[NH2+]C1 ZINC000261586962 135227368 /nfs/dbraw/zinc/22/73/68/135227368.db2.gz RKWJDBALGDJOHL-ZYHUDNBSSA-N 1 0 228.336 0.773 10 0 BCAERO [NH3+][C@H]1CCN(Cc2ccn(C(F)F)n2)C1 ZINC000261586518 135227419 /nfs/dbraw/zinc/22/74/19/135227419.db2.gz RDFKIQGLEBTZRX-ZETCQYMHSA-N 1 0 216.235 0.811 10 0 BCAERO C[C@@H]([NH3+])C(=O)N1CCC[C@H]1c1cnn(C)c1 ZINC000261588268 135229249 /nfs/dbraw/zinc/22/92/49/135229249.db2.gz SHXZZSZOTJVWSW-SCZZXKLOSA-N 1 0 222.292 0.431 10 0 BCAERO CCOc1cc(N2CC[C@H]([NH3+])[C@H]2C)ncn1 ZINC000261589959 135231297 /nfs/dbraw/zinc/23/12/97/135231297.db2.gz UFSHKGWFFVOLIB-BDAKNGLRSA-N 1 0 222.292 0.801 10 0 BCAERO Cc1ccnc(N2CC[C@@H]3[NH2+]CC[C@H]3C2)n1 ZINC000261591149 135231744 /nfs/dbraw/zinc/23/17/44/135231744.db2.gz VCJBCOWHXCLFNK-QWRGUYRKSA-N 1 0 218.304 0.973 10 0 BCAERO COC(=O)C[C@H](C)NC(=O)C[C@H]1CC[NH2+]C1 ZINC000261593988 135233983 /nfs/dbraw/zinc/23/39/83/135233983.db2.gz XFTHHWDBDRCMEP-DTWKUNHWSA-N 1 0 228.292 0.054 10 0 BCAERO CO[C@H](C[NH3+])C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000261599704 135237663 /nfs/dbraw/zinc/23/76/63/135237663.db2.gz ZYECEPDPVWDTDQ-GWOFURMSSA-N 1 0 228.336 0.901 10 0 BCAERO Cn1c(CN2CC[C@](C)(C[NH3+])C2)nnc1C1CC1 ZINC000261605071 135237829 /nfs/dbraw/zinc/23/78/29/135237829.db2.gz BAQFGIWOBUSBHO-CYBMUJFWSA-N 1 0 249.362 0.863 10 0 BCAERO COC[C@@]1(CNc2ncc(C)cn2)CCC[NH2+]1 ZINC000261545977 135238382 /nfs/dbraw/zinc/23/83/82/135238382.db2.gz GNBKFXPGXSBXLG-LBPRGKRZSA-N 1 0 236.319 0.966 10 0 BCAERO CN(C[C@@H]1CCOC1)C(=O)[C@@H]1CC[NH2+]C1 ZINC000261546045 135238637 /nfs/dbraw/zinc/23/86/37/135238637.db2.gz KQDUUWVCQTVGOM-VHSXEESVSA-N 1 0 212.293 0.091 10 0 BCAERO CCn1nccc1NC(=O)[C@@H]1CC[NH2+]C1 ZINC000261546821 135239467 /nfs/dbraw/zinc/23/94/67/135239467.db2.gz LHMNFHANBWUWDD-MRVPVSSYSA-N 1 0 208.265 0.451 10 0 BCAERO CCc1nc(CN2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)no1 ZINC000261547302 135239854 /nfs/dbraw/zinc/23/98/54/135239854.db2.gz HYCOWMODLSXIJA-AEJSXWLSSA-N 1 0 236.319 0.801 10 0 BCAERO CCc1nc(CN2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)no1 ZINC000261547304 135240507 /nfs/dbraw/zinc/24/05/07/135240507.db2.gz HYCOWMODLSXIJA-IVZWLZJFSA-N 1 0 236.319 0.801 10 0 BCAERO C[C@@H]1C[C@H]1NC(=O)[C@H]([NH3+])C1CCOCC1 ZINC000261548000 135242075 /nfs/dbraw/zinc/24/20/75/135242075.db2.gz MZPJBZRIIZPRNJ-SZEHBUNVSA-N 1 0 212.293 0.265 10 0 BCAERO C[NH2+][C@@H](C)CNC(=O)c1cc(C(C)C)nn1C ZINC000261648503 135242397 /nfs/dbraw/zinc/24/23/97/135242397.db2.gz DVPYEJPEWWIWFE-VIFPVBQESA-N 1 0 238.335 0.881 10 0 BCAERO C[C@@]1(C[NH3+])CCN([C@H]2CCN(C3CC3)C2=O)C1 ZINC000261656323 135243399 /nfs/dbraw/zinc/24/33/99/135243399.db2.gz HTVNFDHBRONIJU-AAEUAGOBSA-N 1 0 237.347 0.420 10 0 BCAERO CC1CC(NC(=O)[C@H]([NH3+])C2CCOCC2)C1 ZINC000261617126 135244055 /nfs/dbraw/zinc/24/40/55/135244055.db2.gz BXIIRDIRBZZIAE-BOBPJJCASA-N 1 0 226.320 0.655 10 0 BCAERO C[C@H]1CN(Cc2ccc3c(c2)nnn3C)C[C@@H]1[NH3+] ZINC000261690806 135245926 /nfs/dbraw/zinc/24/59/26/135245926.db2.gz AXRUBIWZVJBMMK-ONGXEEELSA-N 1 0 245.330 0.747 10 0 BCAERO C[C@H]([NH3+])CC(=O)N1CC[C@H](c2cnn(C)c2)C1 ZINC000261701971 135246512 /nfs/dbraw/zinc/24/65/12/135246512.db2.gz CSLGHFLETVGIJZ-UWVGGRQHSA-N 1 0 236.319 0.473 10 0 BCAERO Cc1nc(CN(C)C(=O)C2C[NH2+]C2)cs1 ZINC000084411409 135246547 /nfs/dbraw/zinc/24/65/47/135246547.db2.gz HRJPDBJFQOGEMH-UHFFFAOYSA-N 1 0 225.317 0.629 10 0 BCAERO C[C@@]1(CNC(=O)[C@@H]2CCC[C@@H]2C[NH3+])CCOC1 ZINC000261700097 135246543 /nfs/dbraw/zinc/24/65/43/135246543.db2.gz IIAMXLUHBSOXEP-WZRBSPASSA-N 1 0 240.347 0.904 10 0 BCAERO C[C@H]1[NH2+]CCC[C@H]1NS(=O)(=O)c1ccco1 ZINC000261697006 135246834 /nfs/dbraw/zinc/24/68/34/135246834.db2.gz NPPLLEUZRWRIJO-RKDXNWHRSA-N 1 0 244.316 0.698 10 0 BCAERO CCCNC(=O)CCC(=O)NC[C@@H](C)[NH2+]C ZINC000261715366 135247651 /nfs/dbraw/zinc/24/76/51/135247651.db2.gz KILQNHWCHFGBBO-SECBINFHSA-N 1 0 229.324 0.017 10 0 BCAERO Cc1[nH]n(C)c2nnc(NC(=O)C[C@@H](C)[NH3+])c1-2 ZINC000261734068 135248596 /nfs/dbraw/zinc/24/85/96/135248596.db2.gz GARAGRXRDMBYAV-RXMQYKEDSA-N 1 0 236.279 0.281 10 0 BCAERO CNC(=O)[C@H]1CCCN1C[C@]1(C)CC[NH2+]C1 ZINC000261746157 135249070 /nfs/dbraw/zinc/24/90/70/135249070.db2.gz JCGRVUJUUQGFAZ-ZYHUDNBSSA-N 1 0 225.336 0.196 10 0 BCAERO C[C@]1(CNC(=O)[C@@H]2CC[C@H](C[NH3+])O2)CCOC1 ZINC000261778332 135251347 /nfs/dbraw/zinc/25/13/47/135251347.db2.gz MTSDIXOUHQANPT-JFGNBEQYSA-N 1 0 242.319 0.036 10 0 BCAERO COC(=O)[C@H]1CCN(CC(C)(C)[NH3+])C[C@H]1C ZINC000261787823 135252428 /nfs/dbraw/zinc/25/24/28/135252428.db2.gz FZCRIQYIYOKVQG-ZJUUUORDSA-N 1 0 228.336 0.855 10 0 BCAERO CC(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@H]1CCC[NH2+]1 ZINC000261787553 135252555 /nfs/dbraw/zinc/25/25/55/135252555.db2.gz UQENIBILOAPYJB-UTUOFQBUSA-N 1 0 240.347 0.916 10 0 BCAERO COC(=O)[C@@H]1CCN(CC(C)(C)[NH3+])C[C@H]1C ZINC000261787815 135252607 /nfs/dbraw/zinc/25/26/07/135252607.db2.gz FZCRIQYIYOKVQG-NXEZZACHSA-N 1 0 228.336 0.855 10 0 BCAERO CC1(C)CN(CCN2CCCC2=O)CC[C@@H]1[NH3+] ZINC000261779689 135252620 /nfs/dbraw/zinc/25/26/20/135252620.db2.gz TUKZUIPQUBHJBX-NSHDSACASA-N 1 0 239.363 0.668 10 0 BCAERO Cc1nc(CCNC(=O)C[C@@H](C)[NH3+])c(C)o1 ZINC000261829576 135256297 /nfs/dbraw/zinc/25/62/97/135256297.db2.gz JEVHAOJBHIXPQW-SSDOTTSWSA-N 1 0 225.292 0.687 10 0 BCAERO C[NH2+][C@@H](C)CNC(=O)c1c[nH]c(=O)cc1C ZINC000261841064 135257095 /nfs/dbraw/zinc/25/70/95/135257095.db2.gz WIJFXHUYESIADM-QMMMGPOBSA-N 1 0 223.276 0.433 10 0 BCAERO C[NH2+][C@@H](C)CNS(=O)(=O)c1cc(C)oc1C ZINC000261854507 135257562 /nfs/dbraw/zinc/25/75/62/135257562.db2.gz XSLQEMCTHFJZLS-ZETCQYMHSA-N 1 0 246.332 0.783 10 0 BCAERO CCOCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCCN1 ZINC000261871822 135259149 /nfs/dbraw/zinc/25/91/49/135259149.db2.gz DFRNYHFWLAYWSR-UPJWGTAASA-N 1 0 242.363 0.770 10 0 BCAERO C[C@@H]1COC[C@H](C)N1C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261875615 135259291 /nfs/dbraw/zinc/25/92/91/135259291.db2.gz YJEMAZAKXOEIFF-WRWGMCAJSA-N 1 0 240.347 0.997 10 0 BCAERO Cn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)NC2CCC2)cn1 ZINC000261889047 135260188 /nfs/dbraw/zinc/26/01/88/135260188.db2.gz GFFOCHNMJNXSCQ-NEPJUHHUSA-N 1 0 248.330 0.392 10 0 BCAERO CN(C(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1)C1CC1 ZINC000261892860 135260684 /nfs/dbraw/zinc/26/06/84/135260684.db2.gz GTFQMOGYZADBST-NEPJUHHUSA-N 1 0 248.330 0.344 10 0 BCAERO Cn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)NC2CC2)cn1 ZINC000261896763 135261173 /nfs/dbraw/zinc/26/11/73/135261173.db2.gz HFRVELKYKIUWMI-MNOVXSKESA-N 1 0 234.303 0.002 10 0 BCAERO [NH3+][C@@H](CNC(=O)c1cnc(C2CC2)[nH]1)C1CC1 ZINC000261961921 135266806 /nfs/dbraw/zinc/26/68/06/135266806.db2.gz RZVKHFKWEQJTOI-VIFPVBQESA-N 1 0 234.303 0.754 10 0 BCAERO CCn1c(C)nnc1CN1C[C@@H](C[NH3+])C[C@H]1C ZINC000261973059 135267746 /nfs/dbraw/zinc/26/77/46/135267746.db2.gz DVPXIPGVGMBWSJ-MWLCHTKSSA-N 1 0 237.351 0.776 10 0 BCAERO CCO[C@@H]1C[C@H]1C(=O)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261969469 135267917 /nfs/dbraw/zinc/26/79/17/135267917.db2.gz LKSIZEBSQOMCNE-GMTAPVOTSA-N 1 0 240.347 0.997 10 0 BCAERO C[C@H]1CN(Cc2ccnc(N(C)C)n2)C[C@H]1[NH3+] ZINC000261979046 135268563 /nfs/dbraw/zinc/26/85/63/135268563.db2.gz JAXBJTKJGXYDRV-GXSJLCMTSA-N 1 0 235.335 0.322 10 0 BCAERO CS(=O)(=O)[C@@H]1CCN(C[C@H]2CCC[NH2+]C2)C1 ZINC000261976369 135268651 /nfs/dbraw/zinc/26/86/51/135268651.db2.gz QUEZMMUCUORPDB-WDEREUQCSA-N 1 0 246.376 0.105 10 0 BCAERO O=C1CN(C[C@@H]2CCC[NH2+]C2)CN1CC1CC1 ZINC000261975277 135268722 /nfs/dbraw/zinc/26/87/22/135268722.db2.gz QTMKHTPAFKPJML-GFCCVEGCSA-N 1 0 237.347 0.498 10 0 BCAERO C[C@@H]1CN(Cc2ccnc(N(C)C)n2)C[C@@H]1[NH3+] ZINC000261979047 135268816 /nfs/dbraw/zinc/26/88/16/135268816.db2.gz JAXBJTKJGXYDRV-KOLCDFICSA-N 1 0 235.335 0.322 10 0 BCAERO C[C@H]1CN(S(=O)(=O)CC2CCCC2)C[C@@H]1[NH3+] ZINC000262018351 135273448 /nfs/dbraw/zinc/27/34/48/135273448.db2.gz IHZCUBJLANSELH-ONGXEEELSA-N 1 0 246.376 0.785 10 0 BCAERO CCO[C@@H](C)C(=O)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000262026286 135274314 /nfs/dbraw/zinc/27/43/14/135274314.db2.gz PBLMSDVZAVTQEE-UWVGGRQHSA-N 1 0 228.336 0.997 10 0 BCAERO O=C1CN(C[C@@H]2CCC[NH2+]C2)CN1C1CC1 ZINC000262037090 135274733 /nfs/dbraw/zinc/27/47/33/135274733.db2.gz XVLLHMQFEGXJFW-SNVBAGLBSA-N 1 0 223.320 0.250 10 0 BCAERO COC[C@H]([NH3+])C(=O)N([C@@H](C)C1CC1)C1CC1 ZINC000262047036 135275687 /nfs/dbraw/zinc/27/56/87/135275687.db2.gz GYKZXHIFYFXNCD-KWQFWETISA-N 1 0 226.320 0.750 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)N(C)CCOCCCOC ZINC000262098386 135278379 /nfs/dbraw/zinc/27/83/79/135278379.db2.gz CDGQUYBEHPKWPT-LLVKDONJSA-N 1 0 246.351 0.625 10 0 BCAERO C[C@H]1CN(Cc2cnc3cnccn23)C[C@H]1[NH3+] ZINC000262109261 135279559 /nfs/dbraw/zinc/27/95/59/135279559.db2.gz WFSZIWIDURZMAD-GXSJLCMTSA-N 1 0 231.303 0.508 10 0 BCAERO CN(C)c1ccccc1CNC[C@H]1C[NH2+]C[C@H]1O ZINC000262113489 135279906 /nfs/dbraw/zinc/27/99/06/135279906.db2.gz KUOWPKMVNUYTBB-GXTWGEPZSA-N 1 0 249.358 0.423 10 0 BCAERO CC(C)[C@H]1OCC[C@H]1CNC(=O)C1([NH3+])CC1 ZINC000262130565 135280632 /nfs/dbraw/zinc/28/06/32/135280632.db2.gz MNJFGZIVNXGKFU-VHSXEESVSA-N 1 0 226.320 0.655 10 0 BCAERO CCc1ncc(CNC[C@@H]2C[NH2+]C[C@H]2O)s1 ZINC000262150114 135281897 /nfs/dbraw/zinc/28/18/97/135281897.db2.gz RCEGXEFEDJKGNN-PSASIEDQSA-N 1 0 241.360 0.375 10 0 BCAERO O[C@H]1C[NH2+]C[C@H]1CNCc1ccccc1F ZINC000262165101 135283114 /nfs/dbraw/zinc/28/31/14/135283114.db2.gz UFYOBXYODPNSKO-PWSUYJOCSA-N 1 0 224.279 0.496 10 0 BCAERO CC(C)CCO[C@H]1CCN(C(=O)C2C[NH2+]C2)C1 ZINC000262175256 135283981 /nfs/dbraw/zinc/28/39/81/135283981.db2.gz CZLQWXGFCBVCEJ-LBPRGKRZSA-N 1 0 240.347 0.869 10 0 BCAERO Cc1ccc(C(=O)NC[C@H]2C[NH2+]C[C@H]2O)cc1C ZINC000262227488 135286460 /nfs/dbraw/zinc/28/64/60/135286460.db2.gz JZXRMGASZDLWMX-CHWSQXEVSA-N 1 0 248.326 0.614 10 0 BCAERO CCO[C@@H](CCNC(=O)C1C[NH2+]C1)C(C)C ZINC000262262706 135287847 /nfs/dbraw/zinc/28/78/47/135287847.db2.gz RJDBDRZDFCYAFM-NSHDSACASA-N 1 0 228.336 0.773 10 0 BCAERO CCO[C@H](CCNC(=O)C1C[NH2+]C1)C(C)C ZINC000262262705 135288398 /nfs/dbraw/zinc/28/83/98/135288398.db2.gz RJDBDRZDFCYAFM-LLVKDONJSA-N 1 0 228.336 0.773 10 0 BCAERO COC[C@H]([NH3+])C(=O)Nc1cnc2n[nH]c(C)c2c1 ZINC000262275455 135289217 /nfs/dbraw/zinc/28/92/17/135289217.db2.gz LAGOGMVTAZIZTR-VIFPVBQESA-N 1 0 249.274 0.179 10 0 BCAERO CCC(C)(C)CC(=O)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000262282662 135289801 /nfs/dbraw/zinc/28/98/01/135289801.db2.gz OBCIQFOCOFVOTJ-VHSXEESVSA-N 1 0 228.336 0.509 10 0 BCAERO COC[C@@H]([NH3+])C(=O)NCC1(CCO)CCCC1 ZINC000262283344 135289979 /nfs/dbraw/zinc/28/99/79/135289979.db2.gz MAARGRMDNMHUOG-SNVBAGLBSA-N 1 0 244.335 0.019 10 0 BCAERO CO[C@]1(C)C[C@@H](NC(=O)C2C[NH2+]C2)C1(C)C ZINC000262289500 135290344 /nfs/dbraw/zinc/29/03/44/135290344.db2.gz XJQAAUZOMNQBBX-BXKDBHETSA-N 1 0 226.320 0.526 10 0 BCAERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)C1CCCCC1 ZINC000262286706 135290722 /nfs/dbraw/zinc/29/07/22/135290722.db2.gz OJLDGMVOTRKDEH-WDEREUQCSA-N 1 0 226.320 0.263 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N1CCc2cc(C)ccc21 ZINC000262284270 135290765 /nfs/dbraw/zinc/29/07/65/135290765.db2.gz MCCYPRFUVQEFPV-LLVKDONJSA-N 1 0 234.299 0.858 10 0 BCAERO CO[C@@]1(C)C[C@H](NC(=O)C2C[NH2+]C2)C1(C)C ZINC000262289502 135290831 /nfs/dbraw/zinc/29/08/31/135290831.db2.gz XJQAAUZOMNQBBX-CABZTGNLSA-N 1 0 226.320 0.526 10 0 BCAERO Cc1ccccc1C(=O)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262313517 135291934 /nfs/dbraw/zinc/29/19/34/135291934.db2.gz QQEGOTZWPNODGN-PWSUYJOCSA-N 1 0 234.299 0.305 10 0 BCAERO COC[C@H]([NH3+])C(=O)N1CCOC[C@H]1CC(C)C ZINC000262309930 135292309 /nfs/dbraw/zinc/29/23/09/135292309.db2.gz OWMKZMHKJOMKLO-MNOVXSKESA-N 1 0 244.335 0.234 10 0 BCAERO COC[C@H]([NH3+])C(=O)N(C)C1Cc2ccccc2C1 ZINC000262324971 135293086 /nfs/dbraw/zinc/29/30/86/135293086.db2.gz QXRSMCFZEMIKDF-ZDUSSCGKSA-N 1 0 248.326 0.586 10 0 BCAERO CC[C@@H]1CN(C(=O)[C@H]2CC[NH2+][C@@H](C)C2)C[C@H]1O ZINC000262328799 135293286 /nfs/dbraw/zinc/29/32/86/135293286.db2.gz DRLSJTHMGXHHBX-WHOHXGKFSA-N 1 0 240.347 0.604 10 0 BCAERO COC[C@@H]([NH3+])C(=O)NCC1(CC(C)C)CC1 ZINC000262356123 135294633 /nfs/dbraw/zinc/29/46/33/135294633.db2.gz UZJOZRUPYPCGDT-SNVBAGLBSA-N 1 0 228.336 0.903 10 0 BCAERO COc1ccncc1NC(=O)[C@@H](C)C1C[NH2+]C1 ZINC000262417660 135295956 /nfs/dbraw/zinc/29/59/56/135295956.db2.gz RINAJXHQEUZUEZ-QMMMGPOBSA-N 1 0 235.287 0.884 10 0 BCAERO COc1ccncc1NC(=O)[C@H](C)C1C[NH2+]C1 ZINC000262417657 135296133 /nfs/dbraw/zinc/29/61/33/135296133.db2.gz RINAJXHQEUZUEZ-MRVPVSSYSA-N 1 0 235.287 0.884 10 0 BCAERO COC[C@@H]([NH3+])C(=O)Nc1cc(Cl)ccc1O ZINC000262383023 135297879 /nfs/dbraw/zinc/29/78/79/135297879.db2.gz YCIRRVMHBIJUEF-SSDOTTSWSA-N 1 0 244.678 0.958 10 0 BCAERO O=S(=O)(CC1CCCC1)NC[C@@H]1CC[NH2+]C1 ZINC000262388468 135298225 /nfs/dbraw/zinc/29/82/25/135298225.db2.gz YQLDHYSUDHYIJN-LLVKDONJSA-N 1 0 246.376 0.706 10 0 BCAERO COC[C@H]([NH3+])C(=O)NC[C@@]1(C)CCCC[C@H]1O ZINC000262392492 135298503 /nfs/dbraw/zinc/29/85/03/135298503.db2.gz YYNZAKVOENCICM-HOSYDEDBSA-N 1 0 244.335 0.018 10 0 BCAERO C[C@H]1C[C@@H](C(=O)N[C@H]2CCCC[C@H]2O)CC[NH2+]1 ZINC000262448895 135299769 /nfs/dbraw/zinc/29/97/69/135299769.db2.gz ULHIYXXNEGOGLJ-FIQHERPVSA-N 1 0 240.347 0.794 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N[C@@H]1CCCC[C@@H]1C(N)=O ZINC000262463950 135301237 /nfs/dbraw/zinc/30/12/37/135301237.db2.gz LLPMBSRNJIHYHQ-LPEHRKFASA-N 1 0 241.335 0.274 10 0 BCAERO COC(=O)[C@H](C)C[N@H+](C)CC1CC(O)C1 ZINC000084452331 135307864 /nfs/dbraw/zinc/30/78/64/135307864.db2.gz WEWGGSULDKBHJB-XNWIYYODSA-N 1 0 215.293 0.498 10 0 BCAERO Cc1ccc([C@](C)(O)CNC2=[NH+]CCCN2)o1 ZINC000262630385 135309198 /nfs/dbraw/zinc/30/91/98/135309198.db2.gz FFMMBSWEIQOYLC-GFCCVEGCSA-N 1 0 237.303 0.734 10 0 BCAERO CN(C)C(=O)CC[N@H+](C)CC1CC(O)C1 ZINC000084453891 135319200 /nfs/dbraw/zinc/31/92/00/135319200.db2.gz MJBMYDKEYXBKBO-UHFFFAOYSA-N 1 0 214.309 0.167 10 0 BCAERO C[C@](CO)(CNC1=[NH+]CCCN1)c1ccccc1 ZINC000263112557 135333241 /nfs/dbraw/zinc/33/32/41/135333241.db2.gz BERMNDSPQDTKPE-CQSZACIVSA-N 1 0 247.342 0.876 10 0 BCAERO Cc1nc(C)c(CNC[C@@H]2C[NH2+]C[C@H]2O)s1 ZINC000263128145 135334680 /nfs/dbraw/zinc/33/46/80/135334680.db2.gz BLJCZWHDXRDNPH-VHSXEESVSA-N 1 0 241.360 0.430 10 0 BCAERO Cc1nc(C)c(CNC[C@H]2C[NH2+]C[C@H]2O)s1 ZINC000263128140 135334997 /nfs/dbraw/zinc/33/49/97/135334997.db2.gz BLJCZWHDXRDNPH-NXEZZACHSA-N 1 0 241.360 0.430 10 0 BCAERO CN1CC[NH2+]C[C@@H]1c1noc(CC2CCC2)n1 ZINC000263188850 135338659 /nfs/dbraw/zinc/33/86/59/135338659.db2.gz HPDYRJMFWCPIGD-SNVBAGLBSA-N 1 0 236.319 0.988 10 0 BCAERO O[C@H]1C[NH2+]C[C@@H]1CNCc1cccc2c1NCC2 ZINC000263217827 135340297 /nfs/dbraw/zinc/34/02/97/135340297.db2.gz LEJWPZJSPAHLBD-STQMWFEESA-N 1 0 247.342 0.325 10 0 BCAERO O[C@H]1C[NH2+]C[C@H]1CNCc1cc(F)ccc1F ZINC000263229049 135340898 /nfs/dbraw/zinc/34/08/98/135340898.db2.gz NEBSPVJOBZDUEM-SKDRFNHKSA-N 1 0 242.269 0.635 10 0 BCAERO C[C@@H]1CCCC[C@H]1OCCNC(=O)C1C[NH2+]C1 ZINC000263240467 135341972 /nfs/dbraw/zinc/34/19/72/135341972.db2.gz CCXXBFVXZCRQKC-ZYHUDNBSSA-N 1 0 240.347 0.917 10 0 BCAERO Cc1noc(C)c1C[C@H](C)NC(=O)C1C[NH2+]C1 ZINC000263246368 135342457 /nfs/dbraw/zinc/34/24/57/135342457.db2.gz DDAJWYCECLTWAJ-ZETCQYMHSA-N 1 0 237.303 0.558 10 0 BCAERO Cc1ccc(F)cc1CNC[C@@H]1C[NH2+]C[C@H]1O ZINC000263264772 135343259 /nfs/dbraw/zinc/34/32/59/135343259.db2.gz RLSQGYGAEXOEHJ-DGCLKSJQSA-N 1 0 238.306 0.804 10 0 BCAERO CO[C@H](C)c1nc([C@@H]2C[NH2+]CCN2C)no1 ZINC000263281688 135344301 /nfs/dbraw/zinc/34/43/01/135344301.db2.gz UIWAVAMXIIZDMP-SFYZADRCSA-N 1 0 226.280 0.353 10 0 BCAERO CO[C@@H](C)c1nc([C@H]2C[NH2+]CCN2C)no1 ZINC000263281685 135344427 /nfs/dbraw/zinc/34/44/27/135344427.db2.gz UIWAVAMXIIZDMP-JGVFFNPUSA-N 1 0 226.280 0.353 10 0 BCAERO Cc1ccc(CNC[C@H]2C[NH2+]C[C@@H]2O)cc1F ZINC000263306140 135345856 /nfs/dbraw/zinc/34/58/56/135345856.db2.gz XWZQZVYPAUHCPB-AAEUAGOBSA-N 1 0 238.306 0.804 10 0 BCAERO O=C(CCNC(=O)C1C[NH2+]C1)Nc1ccccc1 ZINC000263315663 135346739 /nfs/dbraw/zinc/34/67/39/135346739.db2.gz QFMXGANGGRTFHK-UHFFFAOYSA-N 1 0 247.298 0.351 10 0 BCAERO C[C@@H](NC(=O)C1C[NH2+]C1)C(=O)Nc1ccccc1 ZINC000263348444 135348077 /nfs/dbraw/zinc/34/80/77/135348077.db2.gz ZYNYNQGGNPBNRC-SECBINFHSA-N 1 0 247.298 0.349 10 0 BCAERO Cc1nn(C)cc1[C@@H](C)NC(=O)C1C[NH2+]C1 ZINC000263289584 135349036 /nfs/dbraw/zinc/34/90/36/135349036.db2.gz LGOXQTIJKANEFH-SSDOTTSWSA-N 1 0 222.292 0.125 10 0 BCAERO C[C@H]1[NH2+]CCC[C@H]1C(=O)N(C)Cc1cc[nH]n1 ZINC000335109602 135409090 /nfs/dbraw/zinc/40/90/90/135409090.db2.gz ALWSJHYCGJWQIY-MWLCHTKSSA-N 1 0 236.319 0.756 10 0 BCAERO O=C(NCC[C@H]1CCC[NH2+]C1)c1cnsn1 ZINC000082486875 135438480 /nfs/dbraw/zinc/43/84/80/135438480.db2.gz DWFKGZRYXKROLP-MRVPVSSYSA-N 1 0 240.332 0.658 10 0 BCAERO Cc1ncsc1CNC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000082560170 135438756 /nfs/dbraw/zinc/43/87/56/135438756.db2.gz JOEXXYMBTFNZTH-VXNVDRBHSA-N 1 0 239.344 0.923 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)NCC(F)(F)F ZINC000082558940 135438897 /nfs/dbraw/zinc/43/88/97/135438897.db2.gz OHPZXUBYRHDUCN-PHDIDXHHSA-N 1 0 210.199 0.520 10 0 BCAERO CCc1nsc(N(C)CC[NH2+]C)n1 ZINC000083651680 135453247 /nfs/dbraw/zinc/45/32/47/135453247.db2.gz CBPGLROSRIAZSS-UHFFFAOYSA-N 1 0 200.311 0.756 10 0 BCAERO c1cn([C@@H]2COC[C@@H]2[NH2+]CC2CC2)nn1 ZINC000344448869 135462852 /nfs/dbraw/zinc/46/28/52/135462852.db2.gz GPFOUTJHHUYUAX-VHSXEESVSA-N 1 0 208.265 0.218 10 0 BCAERO [NH3+]C[C@H]1CCC[C@@H]1NS(=O)(=O)CC1CC1 ZINC000084888956 135476013 /nfs/dbraw/zinc/47/60/13/135476013.db2.gz VFZPWPDKJNVHSV-ZJUUUORDSA-N 1 0 232.349 0.443 10 0 BCAERO CCOCCCNC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000085009281 135477538 /nfs/dbraw/zinc/47/75/38/135477538.db2.gz OODHPNMJCMUYPN-ZJUUUORDSA-N 1 0 214.309 0.657 10 0 BCAERO O=C(NC1C[NH2+]C1)c1cccc(F)c1F ZINC000085255956 135481177 /nfs/dbraw/zinc/48/11/77/135481177.db2.gz YEGBWHXNZHBJPK-UHFFFAOYSA-N 1 0 212.199 0.666 10 0 BCAERO COc1cc(N(C)[C@@H]2CC[NH2+]C2)ncn1 ZINC000085481341 135485544 /nfs/dbraw/zinc/48/55/44/135485544.db2.gz XAZLEQLMRFVTOM-MRVPVSSYSA-N 1 0 208.265 0.283 10 0 BCAERO [NH3+]C[C@H]1CCC[C@H]1Nc1nccn2cnnc12 ZINC000089105829 135529565 /nfs/dbraw/zinc/52/95/65/135529565.db2.gz OWJCJCFPOHVFPI-RKDXNWHRSA-N 1 0 232.291 0.664 10 0 BCAERO CC(C)N(CC(N)=O)C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089450855 135535162 /nfs/dbraw/zinc/53/51/62/135535162.db2.gz YJCPYIVWWDNJHX-NXEZZACHSA-N 1 0 241.335 0.084 10 0 BCAERO CC(C)S(=O)(=O)CCC[NH2+][C@H]1CCO[C@H]1C ZINC000348117671 136032519 /nfs/dbraw/zinc/03/25/19/136032519.db2.gz MXMXZWKYLGZBRA-QWRGUYRKSA-N 1 0 249.376 0.967 10 0 BCAERO C[C@@H]1OCC[C@H]1[NH2+]CCN1CCO[C@H](C)C1 ZINC000348192489 136049878 /nfs/dbraw/zinc/04/98/78/136049878.db2.gz ZYVNGHYTODBQNH-GRYCIOLGSA-N 1 0 228.336 0.474 10 0 BCAERO CC(=O)c1cc(C(=O)N2C[C@H]([NH3+])[C@@H](C)C2)n(C)c1 ZINC000335378596 136086235 /nfs/dbraw/zinc/08/62/35/136086235.db2.gz DJJGILSFUBDPIG-KWQFWETISA-N 1 0 249.314 0.647 10 0 BCAERO C[C@@H]1C[C@@H](O)CN(C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000401671009 533674398 /nfs/dbraw/zinc/67/43/98/533674398.db2.gz VGNBTENSHZPZAI-RAIGVLPGSA-N 1 0 242.363 0.144 10 0 BCAERO CC[C@H]1CN(CCCO)CC[N@@H+]1CCOC ZINC000105914473 397786301 /nfs/dbraw/zinc/78/63/01/397786301.db2.gz ARYOJXXHKCMABB-LBPRGKRZSA-N 1 0 230.352 0.411 10 0 BCAERO CCOCC[N@@H+]1CCN(CCCO)C[C@H]1CC ZINC000105914844 397786340 /nfs/dbraw/zinc/78/63/40/397786340.db2.gz AZPCPEZREVZAKE-CYBMUJFWSA-N 1 0 244.379 0.802 10 0 BCAERO C[NH2+][C@@H](C)CNC(=O)[C@H](C)OCC1CC1 ZINC000381536685 397740413 /nfs/dbraw/zinc/74/04/13/397740413.db2.gz FWBAWWBSRKQBGH-IUCAKERBSA-N 1 0 214.309 0.526 10 0 BCAERO O[C@@H](c1ccns1)[C@H]1CSCC[NH2+]1 ZINC000575451071 397938363 /nfs/dbraw/zinc/93/83/63/397938363.db2.gz QVIRGUOCHQBPKD-HTRCEHHLSA-N 1 0 216.331 0.882 10 0 BCAERO CC[NH2+][C@H](C)CNc1cc(C)nc(C)n1 ZINC000387626618 397923659 /nfs/dbraw/zinc/92/36/59/397923659.db2.gz DIIQAIFDRHCXTK-SECBINFHSA-N 1 0 208.309 0.925 10 0 BCAERO C[NH2+][C@H](C)c1nc(-c2cnccn2)no1 ZINC000054053234 398019658 /nfs/dbraw/zinc/01/96/58/398019658.db2.gz OUEWWMSGTOCBJQ-ZCFIWIBFSA-N 1 0 205.221 0.807 10 0 BCAERO C[C@H]1[C@H]([NH3+])CCN1C(=O)C1CC(F)(F)C1 ZINC000383450526 398020293 /nfs/dbraw/zinc/02/02/93/398020293.db2.gz MDLFZFBYAZSQCO-POYBYMJQSA-N 1 0 218.247 0.980 10 0 BCAERO O=C(NCC1CCCC1)[C@@H]1C[NH2+]CCOC1 ZINC000643634319 398031354 /nfs/dbraw/zinc/03/13/54/398031354.db2.gz AEDDYEMLOFBBMK-LLVKDONJSA-N 1 0 226.320 0.529 10 0 BCAERO Cn1nccc1C1CCN(C(=O)C[NH3+])CC1 ZINC000083911577 398036776 /nfs/dbraw/zinc/03/67/76/398036776.db2.gz OEUKTMJTEMRRRO-UHFFFAOYSA-N 1 0 222.292 0.085 10 0 BCAERO COc1cc([C@@H]2OCC[C@@H]2[NH3+])sn1 ZINC000307122489 397982355 /nfs/dbraw/zinc/98/23/55/397982355.db2.gz LYBDCIGCAUBZNT-YLWLKBPMSA-N 1 0 200.263 0.940 10 0 BCAERO OC[C@H]1C[C@H](O)CN1Cc1ncccc1Cl ZINC000528425370 397982652 /nfs/dbraw/zinc/98/26/52/397982652.db2.gz BIDIGFBDZGQIJB-BDAKNGLRSA-N 1 0 242.706 0.663 10 0 BCAERO C[C@H]1CCNC(=O)[C@H]1[NH2+]C1CSC1 ZINC000307134374 397986485 /nfs/dbraw/zinc/98/64/85/397986485.db2.gz OCYKTTYNFZIRSI-XPUUQOCRSA-N 1 0 200.307 0.216 10 0 BCAERO C[C@@H]1C[C@H](NC(=O)[C@H]2CCC[NH2+]C2)[C@H](C)O1 ZINC000384518235 398093629 /nfs/dbraw/zinc/09/36/29/398093629.db2.gz AOUAYNKBLDTZKM-RCWTZXSCSA-N 1 0 226.320 0.668 10 0 BCAERO COC[C@@H]1CN(Cc2coc(C)n2)CC[NH2+]1 ZINC000584645870 398085802 /nfs/dbraw/zinc/08/58/02/398085802.db2.gz IJOSXMUSPQHMMO-JTQLQIEISA-N 1 0 225.292 0.403 10 0 BCAERO CN1CCO[C@H](C[NH2+]CCC2CCOCC2)C1 ZINC000384035798 398056176 /nfs/dbraw/zinc/05/61/76/398056176.db2.gz UGAOMLZWIJSIHO-CYBMUJFWSA-N 1 0 242.363 0.723 10 0 BCAERO CC(C)[N@H+](C[C@H](C)O)C[C@H]1CNC(=O)O1 ZINC000496381167 398097911 /nfs/dbraw/zinc/09/79/11/398097911.db2.gz GQKPBEMREVDCJD-DTWKUNHWSA-N 1 0 216.281 0.186 10 0 BCAERO CC(C)[N@H+](C[C@H](C)O)C[C@@H]1CNC(=O)O1 ZINC000496381171 398097967 /nfs/dbraw/zinc/09/79/67/398097967.db2.gz GQKPBEMREVDCJD-IUCAKERBSA-N 1 0 216.281 0.186 10 0 BCAERO C[NH+](C)[C@@H]1CCN(C[C@](C)(O)C(F)(F)F)C1 ZINC000309748300 398121645 /nfs/dbraw/zinc/12/16/45/398121645.db2.gz JUKXQPXYACZDBN-BDAKNGLRSA-N 1 0 240.269 0.936 10 0 BCAERO C[C@H](CCC[NH3+])Nc1cnn(C)c(=O)c1Cl ZINC000309403915 398114233 /nfs/dbraw/zinc/11/42/33/398114233.db2.gz JKDXQFZQDQMHAL-SSDOTTSWSA-N 1 0 244.726 0.973 10 0 BCAERO C[C@@H](NC(=O)C1([NH3+])CCCC1)[C@H]1CCCO1 ZINC000037479492 398128914 /nfs/dbraw/zinc/12/89/14/398128914.db2.gz HQIUJMCJAIDQFU-NXEZZACHSA-N 1 0 226.320 0.942 10 0 BCAERO CC(C)NC(=O)CN(C)C(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000091548964 167045392 /nfs/dbraw/zinc/04/53/92/167045392.db2.gz JHTOWASCNAXHOF-NXEZZACHSA-N 1 0 241.335 0.097 10 0 BCAERO CC(C)NC(=O)C[NH2+][C@@H]1CN2CCC1CC2 ZINC000020070639 167060505 /nfs/dbraw/zinc/06/05/05/167060505.db2.gz GDABJLAQCFAYRZ-LLVKDONJSA-N 1 0 225.336 0.195 10 0 BCAERO CC(C)NC(=O)[C@@H](C)[NH2+][C@H](C)CN1CCCC1 ZINC000049165092 167082615 /nfs/dbraw/zinc/08/26/15/167082615.db2.gz XLDBTKJRNJHTEF-VXGBXAGGSA-N 1 0 241.379 0.973 10 0 BCAERO CC(C)[NH2+]CCC(=O)N1[C@@H]2CC[C@H]1CC(O)C2 ZINC000104274794 167100631 /nfs/dbraw/zinc/10/06/31/167100631.db2.gz CNGCVXDLUDJXSG-FOSCPWQOSA-N 1 0 240.347 0.889 10 0 BCAERO CC(C)[NH2+]C[C@@H]1CCCN(c2nnnn2C)C1 ZINC000062939685 167111155 /nfs/dbraw/zinc/11/11/55/167111155.db2.gz IQELFXFHEUUNKS-JTQLQIEISA-N 1 0 238.339 0.425 10 0 BCAERO CC(C)NS(=O)(=O)[C@@H]1CC[N@@H+](C2CCC2)C1 ZINC000336375410 167128602 /nfs/dbraw/zinc/12/86/02/167128602.db2.gz BHOKFTHAIAZRNI-LLVKDONJSA-N 1 0 246.376 0.941 10 0 BCAERO CC(C)NS(=O)(=O)c1ccc(F)c(C[NH3+])c1 ZINC000020189060 167130506 /nfs/dbraw/zinc/13/05/06/167130506.db2.gz XQTWWCWMENKZEL-UHFFFAOYSA-N 1 0 246.307 0.971 10 0 BCAERO CCCCOC[C@H](O)C[NH2+]C[C@@H]1CCCO1 ZINC000227888012 487561319 /nfs/dbraw/zinc/56/13/19/487561319.db2.gz RMRZZXPGUJQPRI-NEPJUHHUSA-N 1 0 231.336 0.933 10 0 BCAERO CCCCOC[C@H](O)C[NH2+]CC[C@@H](C)O ZINC000227893413 487562772 /nfs/dbraw/zinc/56/27/72/487562772.db2.gz BDGLLJNDHRVGHS-GHMZBOCLSA-N 1 0 219.325 0.525 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)N(C)[C@@H]2CC[NH2+]C2)O1 ZINC000088140602 322887299 /nfs/dbraw/zinc/88/72/99/322887299.db2.gz ZCSNOOZCWSUEJM-OPRDCNLKSA-N 1 0 212.293 0.374 10 0 BCAERO CCCCOC[C@H](O)CN1CC[C@@H]([NH+](C)C)C1 ZINC000227906823 487564524 /nfs/dbraw/zinc/56/45/24/487564524.db2.gz NERFVNDRTAKYBR-CHWSQXEVSA-N 1 0 244.379 0.800 10 0 BCAERO CC(C)OCC(=O)N1CC[C@@H]([NH3+])[C@H]1C ZINC000335915611 167180903 /nfs/dbraw/zinc/18/09/03/167180903.db2.gz MFXUDZPRPSHUME-RKDXNWHRSA-N 1 0 200.282 0.360 10 0 BCAERO CCn1cc(C[NH2+]C[C@H](O)C(C)(C)C)nn1 ZINC000404460488 487569884 /nfs/dbraw/zinc/56/98/84/487569884.db2.gz QRMNIFFZJXEHMZ-JTQLQIEISA-N 1 0 226.324 0.795 10 0 BCAERO CC(C)[C@H](NC(=O)C1CCC([NH3+])CC1)C(N)=O ZINC000225423651 487573115 /nfs/dbraw/zinc/57/31/15/487573115.db2.gz NTKWQWOJYSNJMX-RTBKNWGFSA-N 1 0 241.335 0.130 10 0 BCAERO CC(C)OCCC[N@@H+]1CCC[C@](O)(C(N)=O)C1 ZINC000375495725 167212396 /nfs/dbraw/zinc/21/23/96/167212396.db2.gz AOISEKFHNJCJJH-GFCCVEGCSA-N 1 0 244.335 0.114 10 0 BCAERO C[C@]1(O)CC[N@H+](C[C@H]2CCC[C@H](O)C2)C1 ZINC000308917835 487581896 /nfs/dbraw/zinc/58/18/96/487581896.db2.gz ODSXKPCLFSZQEH-SRVKXCTJSA-N 1 0 213.321 0.994 10 0 BCAERO CC(C)OC[C@@H](O)C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000070186661 167261042 /nfs/dbraw/zinc/26/10/42/167261042.db2.gz BNEFXHULDRRMET-SRVKXCTJSA-N 1 0 231.336 0.882 10 0 BCAERO Cc1cnn(CCNC(=O)[C@H](C)[C@@H](C)[NH3+])c1 ZINC000235227462 487593198 /nfs/dbraw/zinc/59/31/98/487593198.db2.gz KFAFXWNYPHMUSG-NXEZZACHSA-N 1 0 224.308 0.291 10 0 BCAERO C[C@@H](C[NH3+])C(=O)NC[C@H](O)C(C)(C)C ZINC000324385877 487594016 /nfs/dbraw/zinc/59/40/16/487594016.db2.gz XQNVKWMCZJBVEA-YUMQZZPRSA-N 1 0 202.298 0.104 10 0 BCAERO COc1ncccc1C(=O)N1CC[C@@H]([NH3+])[C@@H]1C ZINC000383266636 487595843 /nfs/dbraw/zinc/59/58/43/487595843.db2.gz ISKBSENYSXWNNH-WCBMZHEXSA-N 1 0 235.287 0.652 10 0 BCAERO COC[C@H](C)NC(=O)c1ccc(C[NH3+])o1 ZINC000087045451 487600392 /nfs/dbraw/zinc/60/03/92/487600392.db2.gz OFMPCYDLUXNIKG-ZETCQYMHSA-N 1 0 212.249 0.503 10 0 BCAERO CC1(NC(=O)[C@@H]2CC[NH2+]C2)CCOCC1 ZINC000229901902 487601034 /nfs/dbraw/zinc/60/10/34/487601034.db2.gz PSBUHMSUCOEYHM-SECBINFHSA-N 1 0 212.293 0.281 10 0 BCAERO O=C(CC1CCCC1)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262227634 487601035 /nfs/dbraw/zinc/60/10/35/487601035.db2.gz KBOCQYAUGDGBGB-MNOVXSKESA-N 1 0 226.320 0.263 10 0 BCAERO CC(C)S(=O)(=O)CCN1CC[NH2+][C@@H](C)C1 ZINC000226421531 167317827 /nfs/dbraw/zinc/31/78/27/167317827.db2.gz HASBMDAVCGTVJR-JTQLQIEISA-N 1 0 234.365 0.103 10 0 BCAERO CC(C)S(=O)(=O)N1CC[C@@H](C[NH3+])C1 ZINC000050246641 167319290 /nfs/dbraw/zinc/31/92/90/167319290.db2.gz UOJSETOOJMBFSD-QMMMGPOBSA-N 1 0 206.311 0.005 10 0 BCAERO CC(C)S(=O)(=O)N[C@@H]1CCCC[C@@H]1[NH3+] ZINC000038050212 167319446 /nfs/dbraw/zinc/31/94/46/167319446.db2.gz XBSJDXJRTCNIKH-DTWKUNHWSA-N 1 0 220.338 0.584 10 0 BCAERO O=C(CCC1CC1)N1CC[C@H]2OCC[NH2+][C@H]2C1 ZINC000404244235 322921792 /nfs/dbraw/zinc/92/17/92/322921792.db2.gz ZCXWMQRTTIJVRZ-NWDGAFQWSA-N 1 0 238.331 0.766 10 0 BCAERO CC(C)S(=O)(=O)NC1(C[NH3+])CCCC1 ZINC000037657167 167320051 /nfs/dbraw/zinc/32/00/51/167320051.db2.gz WKWSLAWPNUZDIB-UHFFFAOYSA-N 1 0 220.338 0.586 10 0 BCAERO c1cn([C@H](c2ccncc2)C2C[NH2+]C2)nn1 ZINC000169726626 322922168 /nfs/dbraw/zinc/92/21/68/322922168.db2.gz YXEIKYCAODXQGM-LLVKDONJSA-N 1 0 215.260 0.482 10 0 BCAERO C(Nc1nc(C2CC2)ns1)[C@H]1COCC[NH2+]1 ZINC000232556225 487606396 /nfs/dbraw/zinc/60/63/96/487606396.db2.gz CXZMQCBVRPPHHV-QMMMGPOBSA-N 1 0 240.332 0.816 10 0 BCAERO COC[C@H](C)NC(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000087121701 487609894 /nfs/dbraw/zinc/60/98/94/487609894.db2.gz KHZFIUFOEXAQRJ-IVZWLZJFSA-N 1 0 214.309 0.526 10 0 BCAERO C[C@@H]1CN(CCO[C@@H]2CC2(F)F)C[C@@H]1[NH3+] ZINC000662277964 409594460 /nfs/dbraw/zinc/59/44/60/409594460.db2.gz UDPDQXKWMFDWFT-HRDYMLBCSA-N 1 0 220.263 0.690 10 0 BCAERO CC[C@H]([NH2+]C)C(=O)NCC[C@@H]1CCCO1 ZINC000662372106 409678180 /nfs/dbraw/zinc/67/81/80/409678180.db2.gz TYBUZKAXCNJIJL-UWVGGRQHSA-N 1 0 214.309 0.670 10 0 BCAERO CC1CC(C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000655296606 409832951 /nfs/dbraw/zinc/83/29/51/409832951.db2.gz QKPDNYAWJWISRW-MMVSWEMESA-N 1 0 238.331 0.310 10 0 BCAERO COC[C@H]([NH3+])C(=O)N1CCC[C@H](CCF)C1 ZINC000662687587 409833483 /nfs/dbraw/zinc/83/34/83/409833483.db2.gz HKAHMQRQLJCOAK-ZJUUUORDSA-N 1 0 232.299 0.558 10 0 BCAERO CCOCCC(=O)N1CC[C@@H]([NH3+])[C@@H]1C ZINC000308553545 409833962 /nfs/dbraw/zinc/83/39/62/409833962.db2.gz TXKKFEZLANRZFB-DTWKUNHWSA-N 1 0 200.282 0.361 10 0 BCAERO O=c1[nH]ncc(N[C@@H]2CC[NH2+]C2)c1Cl ZINC000073736234 409806977 /nfs/dbraw/zinc/80/69/77/409806977.db2.gz ZQBWEZONPQMTRO-RXMQYKEDSA-N 1 0 214.656 0.197 10 0 BCAERO OC1CC[NH+](C[C@@H]2CCC[C@H](O)C2)CC1 ZINC000308817710 409905738 /nfs/dbraw/zinc/90/57/38/409905738.db2.gz BLCJYZPYWMXIIV-PWSUYJOCSA-N 1 0 213.321 0.994 10 0 BCAERO O=C(CC1=CCCCC1)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000653138865 409860643 /nfs/dbraw/zinc/86/06/43/409860643.db2.gz MHGUEJPDUJFXAU-NWDGAFQWSA-N 1 0 238.331 0.573 10 0 BCAERO CC[N@H+](CCO)C[C@@H]1CCC[C@@H](O)C1 ZINC000308573500 409882909 /nfs/dbraw/zinc/88/29/09/409882909.db2.gz LNBXAHODFBPLGS-GHMZBOCLSA-N 1 0 201.310 0.852 10 0 BCAERO OC[C@@H]1CC[N@H+](C[C@H]2CCC[C@@H](O)C2)C1 ZINC000308947178 409966299 /nfs/dbraw/zinc/96/62/99/409966299.db2.gz WODPOURHVRNZRN-QJPTWQEYSA-N 1 0 213.321 0.852 10 0 BCAERO CC(C)C[C@@H]([NH3+])C(=O)N[C@@H]1CCSC1 ZINC000226357115 487611514 /nfs/dbraw/zinc/61/15/14/487611514.db2.gz IVQAVGRCILHDEC-RKDXNWHRSA-N 1 0 216.350 0.982 10 0 BCAERO OCC[N@H+](C[C@@H]1CCC[C@H](O)C1)C1CC1 ZINC000308925167 409936108 /nfs/dbraw/zinc/93/61/08/409936108.db2.gz PWQYEYADYQUGNF-PWSUYJOCSA-N 1 0 213.321 0.994 10 0 BCAERO CC1(CNC(=O)[C@H]2C[NH2+]CCOC2)CC1 ZINC000643713299 410029582 /nfs/dbraw/zinc/02/95/82/410029582.db2.gz PTKYYKAZRGWEAN-VIFPVBQESA-N 1 0 212.293 0.139 10 0 BCAERO COC[C@]1(C(=O)N[C@H]2CC=CCC2)CCC[NH2+]1 ZINC000653174590 410149858 /nfs/dbraw/zinc/14/98/58/410149858.db2.gz ZWMNXVUCMWXKKA-AAEUAGOBSA-N 1 0 238.331 0.980 10 0 BCAERO COC[C@]1(C(=O)N[C@@H]2CC=CCC2)CCC[NH2+]1 ZINC000653174593 410150631 /nfs/dbraw/zinc/15/06/31/410150631.db2.gz ZWMNXVUCMWXKKA-YPMHNXCESA-N 1 0 238.331 0.980 10 0 BCAERO CCCc1nccnc1NC[C@H]1C[NH2+]C[C@@H]1O ZINC000663271941 410090912 /nfs/dbraw/zinc/09/09/12/410090912.db2.gz IOBBQOIWRVWHRM-KOLCDFICSA-N 1 0 236.319 0.421 10 0 BCAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)[C@H]1CCCCO1 ZINC000309058262 410210685 /nfs/dbraw/zinc/21/06/85/410210685.db2.gz UODNVQUKEHEFQH-OPRDCNLKSA-N 1 0 212.293 0.504 10 0 BCAERO O=C(CC[C@H]1CCC[NH2+]1)N[C@@H]1CCOC1 ZINC000309016510 410197246 /nfs/dbraw/zinc/19/72/46/410197246.db2.gz UPDWGCZLFGFRHJ-NXEZZACHSA-N 1 0 212.293 0.424 10 0 BCAERO CC[NH2+][C@H](C)CNc1nc(OC)cc(OC)n1 ZINC000387528152 410253677 /nfs/dbraw/zinc/25/36/77/410253677.db2.gz JJDPUQSRIPTJKN-MRVPVSSYSA-N 1 0 240.307 0.904 10 0 BCAERO CC(C)OC[C@@H](O)C[NH2+]CCCn1ccnn1 ZINC000126965479 410327531 /nfs/dbraw/zinc/32/75/31/410327531.db2.gz AEXYHSPNMJMJIV-NSHDSACASA-N 1 0 242.323 0.044 10 0 BCAERO Cc1cc(CNC(=O)C[C@@H]([NH3+])C(C)C)no1 ZINC000129018106 410365132 /nfs/dbraw/zinc/36/51/32/410365132.db2.gz KNDGRLZIQUQVIM-SNVBAGLBSA-N 1 0 225.292 0.973 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)N[C@H]1CCCC[C@@H]1O ZINC000129034497 410368096 /nfs/dbraw/zinc/36/80/96/410368096.db2.gz COVNHOUDEDJQFB-VWYCJHECSA-N 1 0 228.336 0.780 10 0 BCAERO Cc1cc(NC(=O)[C@@H]2CCC[NH2+][C@@H]2C)no1 ZINC000335593630 410449048 /nfs/dbraw/zinc/44/90/48/410449048.db2.gz JEQPSFCFFGWFJP-RKDXNWHRSA-N 1 0 223.276 1.310 10 0 BCAERO Cc1nccn1CCn1cc(C(C)(C)[NH3+])nn1 ZINC000070117951 410664799 /nfs/dbraw/zinc/66/47/99/410664799.db2.gz VQBFSPJFTZBEQH-UHFFFAOYSA-N 1 0 234.307 0.677 10 0 BCAERO CC(C)(C)NC(=O)Cn1cc(C(C)(C)[NH3+])nn1 ZINC000070118101 410665021 /nfs/dbraw/zinc/66/50/21/410665021.db2.gz TYBPBLZHAJLWIS-UHFFFAOYSA-N 1 0 239.323 0.387 10 0 BCAERO CC(=O)NCCN(C)C(=O)CC[C@H]1CCC[NH2+]1 ZINC000308201576 410695507 /nfs/dbraw/zinc/69/55/07/410695507.db2.gz VNAJYVYWNVPLPG-LLVKDONJSA-N 1 0 241.335 0.113 10 0 BCAERO COCC1(CNC(=O)[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000655490332 410807785 /nfs/dbraw/zinc/80/77/85/410807785.db2.gz ISOBUYIQGCQOAB-ZJUUUORDSA-N 1 0 226.320 0.657 10 0 BCAERO COCC1(CNC(=O)C[C@@H]([NH3+])C(C)C)CC1 ZINC000655490495 410807914 /nfs/dbraw/zinc/80/79/14/410807914.db2.gz LYKNRZKQVHMJPB-SNVBAGLBSA-N 1 0 228.336 0.903 10 0 BCAERO COCC1(CNC(=O)[C@H]2CCC[C@H]2C[NH3+])CC1 ZINC000655490578 410808591 /nfs/dbraw/zinc/80/85/91/410808591.db2.gz NUGKEPWBQXQHOT-QWRGUYRKSA-N 1 0 240.347 0.904 10 0 BCAERO CC(C)CC[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC000035053383 166861744 /nfs/dbraw/zinc/86/17/44/166861744.db2.gz FGKUOLXCKMZGAC-UHFFFAOYSA-N 1 0 239.319 0.220 10 0 BCAERO CCO[C@H](CC)C(=O)NCC[C@@H](C)[NH3+] ZINC000308983783 410832497 /nfs/dbraw/zinc/83/24/97/410832497.db2.gz JBSFXLSKFYWELR-RKDXNWHRSA-N 1 0 202.298 0.655 10 0 BCAERO COc1nccc(C[NH2+][C@H]2CCC[C@H](O)C2)n1 ZINC000395231050 410841737 /nfs/dbraw/zinc/84/17/37/410841737.db2.gz PVDVANLBCZNMOE-ONGXEEELSA-N 1 0 237.303 0.878 10 0 BCAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NCC1(CO)CC1 ZINC000395244085 410845492 /nfs/dbraw/zinc/84/54/92/410845492.db2.gz IZUUNZGYLRYYMI-UWVGGRQHSA-N 1 0 226.320 0.263 10 0 BCAERO Cc1nnc2c(NCCC3(C[NH3+])CC3)nccn12 ZINC000395861390 410865934 /nfs/dbraw/zinc/86/59/34/410865934.db2.gz DFYXWZKMXLFRQL-UHFFFAOYSA-N 1 0 246.318 0.974 10 0 BCAERO CN(C)c1nccc(NCCC2(C[NH3+])CC2)n1 ZINC000395947112 410867290 /nfs/dbraw/zinc/86/72/90/410867290.db2.gz MQYZRAUUBYZLDA-UHFFFAOYSA-N 1 0 235.335 0.505 10 0 BCAERO CO[C@H]1C[NH2+][C@@H](C(=O)NCCCC(C)C)C1 ZINC000040636781 410883508 /nfs/dbraw/zinc/88/35/08/410883508.db2.gz ODQDISXGDULKPP-GHMZBOCLSA-N 1 0 228.336 0.916 10 0 BCAERO CO[C@H]1C[NH2+][C@@H](C(=O)NCc2ccccc2C)C1 ZINC000040633904 410883895 /nfs/dbraw/zinc/88/38/95/410883895.db2.gz CGGAPCGBAPLZQE-CHWSQXEVSA-N 1 0 248.326 0.988 10 0 BCAERO CC(C)[C@@H]([NH3+])CC(=O)N1CCc2n[nH]cc2C1 ZINC000396863594 410903464 /nfs/dbraw/zinc/90/34/64/410903464.db2.gz SFCAVDREHZPTKA-JTQLQIEISA-N 1 0 236.319 0.668 10 0 BCAERO CC(C)CNC(=O)[C@H](C)N1CC[NH2+]C[C@H]1C ZINC000054374358 166995237 /nfs/dbraw/zinc/99/52/37/166995237.db2.gz VTMDSJCUFZEOIN-MNOVXSKESA-N 1 0 227.352 0.441 10 0 BCAERO CC(C)C[NH2+]CC1(O)CCS(=O)(=O)CC1 ZINC000055030342 167002854 /nfs/dbraw/zinc/00/28/54/167002854.db2.gz VQSVRFRDSNTHRT-UHFFFAOYSA-N 1 0 235.349 0.172 10 0 BCAERO C[NH2+][C@H](C)CNC(=O)c1ccnc(C)n1 ZINC000396875208 410903889 /nfs/dbraw/zinc/90/38/89/410903889.db2.gz DDWDCFWKMBJOGU-SSDOTTSWSA-N 1 0 208.265 0.123 10 0 BCAERO CC(C)C[NH2+]Cc1nnc2ncccn12 ZINC000062743462 167009900 /nfs/dbraw/zinc/00/99/00/167009900.db2.gz JRHZZQIRMVXSRA-UHFFFAOYSA-N 1 0 205.265 0.870 10 0 BCAERO CC(C)COC(=O)N1CCO[C@H](C[NH3+])C1 ZINC000041059028 167020954 /nfs/dbraw/zinc/02/09/54/167020954.db2.gz GOQHZZJEIMOFKA-SECBINFHSA-N 1 0 216.281 0.439 10 0 BCAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)c2ccnnc2)C1 ZINC000245629039 167032859 /nfs/dbraw/zinc/03/28/59/167032859.db2.gz DKBYIYDTCPTUNL-CMPLNLGQSA-N 1 0 248.330 0.935 10 0 BCAERO CC(C)NC(=O)CN(C)[C@H]1CCCC[C@@H]1C[NH3+] ZINC000042602128 167049083 /nfs/dbraw/zinc/04/90/83/167049083.db2.gz RIHTWPFLYAAAIY-NEPJUHHUSA-N 1 0 241.379 0.960 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)N1CCc2n[nH]cc2C1 ZINC000396863595 410902672 /nfs/dbraw/zinc/90/26/72/410902672.db2.gz SFCAVDREHZPTKA-SNVBAGLBSA-N 1 0 236.319 0.668 10 0 BCAERO CC(C)NC(=O)C[NH2+][C@H]1CCN2CCC[C@H]12 ZINC000049568202 167061730 /nfs/dbraw/zinc/06/17/30/167061730.db2.gz LELNTTUOJDTOLM-WDEREUQCSA-N 1 0 225.336 0.337 10 0 BCAERO CC(C)NC(=O)NCCOC1CCC([NH3+])CC1 ZINC000104390670 167073583 /nfs/dbraw/zinc/07/35/83/167073583.db2.gz SHRLSBXWGYRJDO-UHFFFAOYSA-N 1 0 243.351 0.981 10 0 BCAERO [NH3+]C[C@H]1CCC[C@@H]1C(=O)N1CCc2n[nH]nc2C1 ZINC000396871627 410902106 /nfs/dbraw/zinc/90/21/06/410902106.db2.gz JNHZVJZVOVGMME-BDAKNGLRSA-N 1 0 249.318 0.064 10 0 BCAERO CC(C)[NH2+]CCCC(=O)NC[C@@H]1COCCO1 ZINC000038062188 167099352 /nfs/dbraw/zinc/09/93/52/167099352.db2.gz GQRARERMLATTTA-LLVKDONJSA-N 1 0 244.335 0.296 10 0 BCAERO CC(C)[NH2+]CCC(=O)N1CCCC[C@@H]1C(N)=O ZINC000037996513 167099401 /nfs/dbraw/zinc/09/94/01/167099401.db2.gz KCZVWBCFDHINGJ-SNVBAGLBSA-N 1 0 241.335 0.241 10 0 BCAERO CC(C)[NH2+]CCCC(=O)NCc1cn[nH]c1 ZINC000038006682 167099579 /nfs/dbraw/zinc/09/95/79/167099579.db2.gz BMXUAHULJOFFKD-UHFFFAOYSA-N 1 0 224.308 0.804 10 0 BCAERO CC(C)[NH2+]CCN1C(=O)CSC1=O ZINC000042223930 167103994 /nfs/dbraw/zinc/10/39/94/167103994.db2.gz DJHLZWLJPSMUSV-UHFFFAOYSA-N 1 0 202.279 0.680 10 0 BCAERO CC(C)[NH2+]CCN1CC[C@H](O)[C@@H](C)C1 ZINC000127176141 167107495 /nfs/dbraw/zinc/10/74/95/167107495.db2.gz SQIMQDQIWXQEMT-QWRGUYRKSA-N 1 0 200.326 0.687 10 0 BCAERO CC(C)[NH2+]C[C@@H](O)COCCc1ccccn1 ZINC000034978763 167111561 /nfs/dbraw/zinc/11/15/61/167111561.db2.gz ALBSKFFCAYXUBY-CYBMUJFWSA-N 1 0 238.331 1.000 10 0 BCAERO Cc1nccc(C(=O)N(C)[C@H]2CCC[NH2+]CC2)n1 ZINC000396896810 410905163 /nfs/dbraw/zinc/90/51/63/410905163.db2.gz UEHTYXXZNAVYGU-NSHDSACASA-N 1 0 248.330 0.999 10 0 BCAERO CC(C)[NH2+]C[C@H](O)COc1ncccn1 ZINC000143318026 167115576 /nfs/dbraw/zinc/11/55/76/167115576.db2.gz LXAGZGFAXKNAON-VIFPVBQESA-N 1 0 211.265 0.214 10 0 BCAERO CC(C)NS(=O)(=O)C1CC[NH2+]CC1 ZINC000049631928 167124625 /nfs/dbraw/zinc/12/46/25/167124625.db2.gz DJEWDDJXCJYRKP-UHFFFAOYSA-N 1 0 206.311 0.066 10 0 BCAERO CC(C)NS(=O)(=O)C[C@@H]1CCC[NH2+]1 ZINC000049631925 167124702 /nfs/dbraw/zinc/12/47/02/167124702.db2.gz BYDWYDZEAMCMKY-QMMMGPOBSA-N 1 0 206.311 0.066 10 0 BCAERO CC(C)[NH2+][C@@H](C(N)=O)c1ccc(O)cc1 ZINC000037869405 167129432 /nfs/dbraw/zinc/12/94/32/167129432.db2.gz PXGSBVJJALUUCZ-SNVBAGLBSA-N 1 0 208.261 0.917 10 0 BCAERO CC(C)[NH2+][C@@H](CCOCCOC(C)C)C(N)=O ZINC000062545185 167132558 /nfs/dbraw/zinc/13/25/58/167132558.db2.gz VAMKMAJXRJVUKC-NSHDSACASA-N 1 0 246.351 0.670 10 0 BCAERO CC(C)OC(=O)CN1CC[NH2+]C[C@@H]1C ZINC000054373335 167158426 /nfs/dbraw/zinc/15/84/26/167158426.db2.gz FXXYQAMTZFBOMY-VIFPVBQESA-N 1 0 200.282 0.232 10 0 BCAERO CC(C)OCC[NH2+][C@@H]1CCC(=O)N[C@H]1C ZINC000308998639 167245058 /nfs/dbraw/zinc/24/50/58/167245058.db2.gz NGZSVOQOEILOEM-VHSXEESVSA-N 1 0 214.309 0.668 10 0 BCAERO CC(C)OCC[NH2+][C@H]1CCC(=O)N[C@H]1C ZINC000308998637 167246486 /nfs/dbraw/zinc/24/64/86/167246486.db2.gz NGZSVOQOEILOEM-UWVGGRQHSA-N 1 0 214.309 0.668 10 0 BCAERO CC(C)OCC[C@H](O)C[NH2+][C@@H]1CCO[C@@H]1C ZINC000348117612 167253226 /nfs/dbraw/zinc/25/32/26/167253226.db2.gz LYCZUKQCUYIIOQ-GRYCIOLGSA-N 1 0 231.336 0.929 10 0 BCAERO CC(C)OC[C@@H](C)[NH2+]C[C@@H]1CN(C)CCO1 ZINC000309589279 167254132 /nfs/dbraw/zinc/25/41/32/167254132.db2.gz UEYDLZADPWKPMG-VXGBXAGGSA-N 1 0 230.352 0.720 10 0 BCAERO CC(C)[C@@H]([NH3+])CC(=O)NC[C@]1(C)CCOC1 ZINC000397272896 410918247 /nfs/dbraw/zinc/91/82/47/410918247.db2.gz DVSGFPZQJDNULN-JQWIXIFHSA-N 1 0 228.336 0.903 10 0 BCAERO CC(C)Oc1cc(N2C[C@H]3C[NH2+]C[C@H]3C2)ncn1 ZINC000090786233 167286179 /nfs/dbraw/zinc/28/61/79/167286179.db2.gz LFFRMHACIVWOSL-PHIMTYICSA-N 1 0 248.330 0.919 10 0 BCAERO CC(C)SCC[N@@H+]1C[C@@H](O)C[C@@H]1CO ZINC000374916269 167328829 /nfs/dbraw/zinc/32/88/29/167328829.db2.gz PYZCOLAHEGFPBA-ZJUUUORDSA-N 1 0 219.350 0.556 10 0 BCAERO CC(C)[C@@H](C)[NH2+][C@@H]1CC(=O)N(C2CC2)C1=O ZINC000102666746 167384761 /nfs/dbraw/zinc/38/47/61/167384761.db2.gz OLUHHSCYVCEGBD-PSASIEDQSA-N 1 0 224.304 0.910 10 0 BCAERO CC(C)[C@@H](C)[NH2+][C@H]1CCS(=O)(=O)C1 ZINC000019900045 167385631 /nfs/dbraw/zinc/38/56/31/167385631.db2.gz GVBLSGMNZNDUFS-BDAKNGLRSA-N 1 0 205.323 0.808 10 0 BCAERO CC(C)[C@@H](CN(C)C)[NH2+][C@H]1CCCCNC1=O ZINC000049216275 167394585 /nfs/dbraw/zinc/39/45/85/167394585.db2.gz VIWDXMWVPWDBAK-NWDGAFQWSA-N 1 0 241.379 0.831 10 0 BCAERO COC[C@H](NC(=O)C[C@H]([NH3+])C(C)C)C1CC1 ZINC000397345275 410920467 /nfs/dbraw/zinc/92/04/67/410920467.db2.gz XSEGERWWHXDXEI-QWRGUYRKSA-N 1 0 228.336 0.901 10 0 BCAERO COC[C@H](C)CNC(=O)C1CCC([NH3+])CC1 ZINC000041679342 410934840 /nfs/dbraw/zinc/93/48/40/410934840.db2.gz SLVCJMAUWTWVHQ-KPPDAEKUSA-N 1 0 228.336 0.903 10 0 BCAERO [NH3+][C@@H](C(=O)NCC[C@H]1CCCO1)C1CCC1 ZINC000398977424 411002436 /nfs/dbraw/zinc/00/24/36/411002436.db2.gz DLAIMFBBTJWVLD-GHMZBOCLSA-N 1 0 226.320 0.799 10 0 BCAERO [NH3+][C@H](C(=O)N[C@H]1CCC[C@@H](O)C1)C1CCC1 ZINC000398982479 411005738 /nfs/dbraw/zinc/00/57/38/411005738.db2.gz GPLMQEBOZXUDKV-AXFHLTTASA-N 1 0 226.320 0.534 10 0 BCAERO C[C@@H](Cc1ccccn1)NC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000655500208 411057023 /nfs/dbraw/zinc/05/70/23/411057023.db2.gz VWAONVLOEFVXII-NTZNESFSSA-N 1 0 247.342 0.984 10 0 BCAERO CC(C)[C@@H](C(=O)NCC[C@H](C)O)[C@@H](C)[NH3+] ZINC000399706005 411059941 /nfs/dbraw/zinc/05/99/41/411059941.db2.gz DPPGDKPLNLNSOB-IVZWLZJFSA-N 1 0 216.325 0.493 10 0 BCAERO C[C@H]1CN(CC(=O)Nc2nccs2)C[C@H]1[NH3+] ZINC000300048909 411077042 /nfs/dbraw/zinc/07/70/42/411077042.db2.gz NSGBSXYUXNIWRY-JGVFFNPUSA-N 1 0 240.332 0.361 10 0 BCAERO C[NH2+][C@H](C)C(=O)N[C@H](C)Cc1ccccn1 ZINC000655499569 411030863 /nfs/dbraw/zinc/03/08/63/411030863.db2.gz MVGFUWAWMUQZDX-NXEZZACHSA-N 1 0 221.304 0.737 10 0 BCAERO C[C@H]([NH3+])CNc1ccnc2c1cnn2C ZINC000107197202 411132758 /nfs/dbraw/zinc/13/27/58/411132758.db2.gz VAUWGFZOLJUTNM-ZETCQYMHSA-N 1 0 205.265 0.727 10 0 BCAERO O[C@H]1C[NH2+]C[C@@H]1CNc1ccc2ccccc2n1 ZINC000420255888 411138963 /nfs/dbraw/zinc/13/89/63/411138963.db2.gz TZRFBYDYCFXAKF-YPMHNXCESA-N 1 0 243.310 1.227 10 0 BCAERO CC[C@H](C)[C@@H]([NH3+])C(=O)NCc1cc(C)on1 ZINC000044727127 411140153 /nfs/dbraw/zinc/14/01/53/411140153.db2.gz GFDWZIMPTSBGBE-OIBJUYFYSA-N 1 0 225.292 0.973 10 0 BCAERO CN(Cc1cc[nH]n1)C(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000400326073 411155049 /nfs/dbraw/zinc/15/50/49/411155049.db2.gz HVFGDPQUQPMIFC-ONGXEEELSA-N 1 0 236.319 0.743 10 0 BCAERO C[C@@H]1CN(Cc2nnn(C(C)(C)C)n2)C[C@@H]1[NH3+] ZINC000655941117 411160549 /nfs/dbraw/zinc/16/05/49/411160549.db2.gz MPKPIRQHKSFMQY-BDAKNGLRSA-N 1 0 238.339 0.207 10 0 BCAERO COc1cccnc1N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000128505429 411102256 /nfs/dbraw/zinc/10/22/56/411102256.db2.gz ZMWSGAUXKUNJRY-ONGXEEELSA-N 1 0 237.303 0.643 10 0 BCAERO [NH3+][C@H](CC(F)F)C(=O)N[C@@H]1CCC[C@H](O)C1 ZINC000309365040 411107716 /nfs/dbraw/zinc/10/77/16/411107716.db2.gz AGLQTDNSKIYKCH-GJMOJQLCSA-N 1 0 236.262 0.389 10 0 BCAERO C[C@H](NC(=O)[C@H]1CC[C@H]([NH3+])C1)c1nc[nH]n1 ZINC000300394283 411121026 /nfs/dbraw/zinc/12/10/26/411121026.db2.gz LXEHTCXGQZUVNR-FXQIFTODSA-N 1 0 223.280 0.109 10 0 BCAERO C[NH2+]CCC(=O)N[C@@H]1CCC[C@@H](O)C1 ZINC000043600200 411123552 /nfs/dbraw/zinc/12/35/52/411123552.db2.gz NECZOFFYHZKPOB-RKDXNWHRSA-N 1 0 200.282 0.016 10 0 BCAERO C[C@@H]1C[C@H](O)C[N@H+](C[C@@H]2CCCN2C)C1 ZINC000401592326 411168831 /nfs/dbraw/zinc/16/88/31/411168831.db2.gz SDYIXWQKLUQHFH-WOPDTQHZSA-N 1 0 212.337 0.783 10 0 BCAERO CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCC(CCO)CC1 ZINC000401054576 411174341 /nfs/dbraw/zinc/17/43/41/411174341.db2.gz ZWPBHBBUVOOLFT-CMPLNLGQSA-N 1 0 242.363 0.981 10 0 BCAERO O=c1[nH]c(C[N@H+]2CC[C@H](CO)C2)cs1 ZINC000231715901 411185945 /nfs/dbraw/zinc/18/59/45/411185945.db2.gz XSSYYJVVOYAQLT-ZETCQYMHSA-N 1 0 214.290 0.251 10 0 BCAERO CC(C)n1cc([C@H]2C[NH2+]C[C@@H]2CO)cn1 ZINC000238853236 167756904 /nfs/dbraw/zinc/75/69/04/167756904.db2.gz ITDWXHBYHVAYNM-GHMZBOCLSA-N 1 0 209.293 0.759 10 0 BCAERO CCNC(=O)[C@H](C)NC(=O)C[C@H]([NH3+])C(C)C ZINC000128931374 411190746 /nfs/dbraw/zinc/19/07/46/411190746.db2.gz IFBBFWQVEKAZAU-IUCAKERBSA-N 1 0 229.324 0.001 10 0 BCAERO O=C(c1nc[nH]n1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000310614628 411244583 /nfs/dbraw/zinc/24/45/83/411244583.db2.gz DJTJEJLGZHXGJY-UHFFFAOYSA-N 1 0 249.318 0.411 10 0 BCAERO [NH3+][C@@H]1CCC[C@H](C(=O)Nc2cc[nH]n2)C1 ZINC000070502931 411195517 /nfs/dbraw/zinc/19/55/17/411195517.db2.gz ILTYJOSIGWOLPV-JGVFFNPUSA-N 1 0 208.265 0.866 10 0 BCAERO CC[C@@H]1CN(C(C)=O)CC[C@@H]1[NH2+]C[C@H](C)O ZINC000310036817 411195912 /nfs/dbraw/zinc/19/59/12/411195912.db2.gz UPGBEQMOJBNCKQ-WCQGTBRESA-N 1 0 228.336 0.604 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)NCCn1cccn1 ZINC000129002431 411196749 /nfs/dbraw/zinc/19/67/49/411196749.db2.gz ZFUIWOBKHJHHJC-SNVBAGLBSA-N 1 0 224.308 0.373 10 0 BCAERO CC(C)n1ccnc(N(C)[C@H]2CC[NH2+]C2)c1=O ZINC000071311686 167770525 /nfs/dbraw/zinc/77/05/25/167770525.db2.gz FIMRKXZVXGWEBZ-JTQLQIEISA-N 1 0 236.319 0.622 10 0 BCAERO C[NH2+][C@@H](C)CNC(=O)CC1(COC)CC1 ZINC000401489679 411201157 /nfs/dbraw/zinc/20/11/57/411201157.db2.gz REGGOJHCZUIHRQ-VIFPVBQESA-N 1 0 214.309 0.527 10 0 BCAERO C[C@@H](O)CCC[N@@H+]1CC[C@@H](N(C)C)C1 ZINC000220140674 411201122 /nfs/dbraw/zinc/20/11/22/411201122.db2.gz FWCJPQGOUSKYHG-GHMZBOCLSA-N 1 0 200.326 0.783 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)Nc1ccnn1C ZINC000129014266 411202857 /nfs/dbraw/zinc/20/28/57/411202857.db2.gz ZNAYKJNKRJEXHF-MRVPVSSYSA-N 1 0 210.281 0.732 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)N[C@H]1CCCOC1 ZINC000129060528 411216673 /nfs/dbraw/zinc/21/66/73/411216673.db2.gz GANXEAHMYYEYPQ-VHSXEESVSA-N 1 0 214.309 0.655 10 0 BCAERO CC(C)[C@@H]([NH3+])CC(=O)NCc1ccnn1C ZINC000129059432 411216710 /nfs/dbraw/zinc/21/67/10/411216710.db2.gz WZLFZJQAGGJMHU-JTQLQIEISA-N 1 0 224.308 0.410 10 0 BCAERO COCCC[C@H](C)[NH2+][C@@H]1CCNC1=O ZINC000658052784 411219705 /nfs/dbraw/zinc/21/97/05/411219705.db2.gz HGSBZGAPPHNRAA-DTWKUNHWSA-N 1 0 200.282 0.280 10 0 BCAERO CC[C@H](COC)NC(=O)C[C@@H]([NH3+])C(C)C ZINC000129086447 411220095 /nfs/dbraw/zinc/22/00/95/411220095.db2.gz LESJKPKBFVUVRC-NXEZZACHSA-N 1 0 216.325 0.901 10 0 BCAERO CC(C)[C@@H]([NH3+])CC(=O)N(C)Cc1ncc[nH]1 ZINC000129091808 411221796 /nfs/dbraw/zinc/22/17/96/411221796.db2.gz XDMVHJDZIKZLQK-VIFPVBQESA-N 1 0 224.308 0.742 10 0 BCAERO COCC[C@H](C)NC(=O)C[C@@H]([NH3+])C(C)C ZINC000129095770 411223412 /nfs/dbraw/zinc/22/34/12/411223412.db2.gz ONSQHMJZJYXFBF-VHSXEESVSA-N 1 0 216.325 0.901 10 0 BCAERO CO[C@](C)(CO)C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000655785138 411225977 /nfs/dbraw/zinc/22/59/77/411225977.db2.gz KBJUGOWPSKBDCS-DCQANWLSSA-N 1 0 243.347 0.787 10 0 BCAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)CCc1cccnc1 ZINC000310237487 411230123 /nfs/dbraw/zinc/23/01/23/411230123.db2.gz BCNWPRJCQWHJAN-ZYHUDNBSSA-N 1 0 233.315 0.962 10 0 BCAERO COc1cc(C[NH2+][C@H]2CCC(=O)N[C@@H]2C)on1 ZINC000660478062 411231354 /nfs/dbraw/zinc/23/13/54/411231354.db2.gz MIPZLDXABLADGA-APPZFPTMSA-N 1 0 239.275 0.440 10 0 BCAERO COc1cc(C[NH2+][C@H]2CCC(=O)N[C@H]2C)on1 ZINC000660478063 411232050 /nfs/dbraw/zinc/23/20/50/411232050.db2.gz MIPZLDXABLADGA-CBAPKCEASA-N 1 0 239.275 0.440 10 0 BCAERO CN(C[C@H](O)C[NH2+]C[C@H]1CCC[C@H]1O)C1CC1 ZINC000310401869 411236896 /nfs/dbraw/zinc/23/68/96/411236896.db2.gz NHTWAPDLBJGXGA-RAIGVLPGSA-N 1 0 242.363 0.192 10 0 BCAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N[C@H]1CCSC1 ZINC000395232699 411237318 /nfs/dbraw/zinc/23/73/18/411237318.db2.gz CQWNGXAQHNZMSG-GUBZILKMSA-N 1 0 228.361 0.996 10 0 BCAERO CCN(CC)c1nc[nH+]c(NN(C)C)c1N ZINC000040723204 169806539 /nfs/dbraw/zinc/80/65/39/169806539.db2.gz WIDAPBKCEHOCDZ-UHFFFAOYSA-N 1 0 224.312 0.794 10 0 BCAERO COCc1csc(C[NH2+][C@@H]2CCNC2=O)c1 ZINC000656685715 411328207 /nfs/dbraw/zinc/32/82/07/411328207.db2.gz YFBDRXQPOIYCAR-SNVBAGLBSA-N 1 0 240.328 0.873 10 0 BCAERO Nc1cc([C@@H]2CC[N@H+](CCO)CCO2)ccn1 ZINC000616665453 411280475 /nfs/dbraw/zinc/28/04/75/411280475.db2.gz JNZQCTDDTWTFHX-NSHDSACASA-N 1 0 237.303 0.420 10 0 BCAERO Nc1cc([C@H]2CCOCC[N@@H+]2CCO)ccn1 ZINC000616655261 411281801 /nfs/dbraw/zinc/28/18/01/411281801.db2.gz ASRZUOCXMJVRCS-LLVKDONJSA-N 1 0 237.303 0.420 10 0 BCAERO Nc1cc([C@H]2CCCN(CC[NH3+])C2)[nH]n1 ZINC000616620812 411287184 /nfs/dbraw/zinc/28/71/84/411287184.db2.gz LVPPZGBGFQLHRO-QMMMGPOBSA-N 1 0 209.297 0.130 10 0 BCAERO Nc1cc([C@@H]2COCCCN2CC[NH3+])ccn1 ZINC000616646489 411287488 /nfs/dbraw/zinc/28/74/88/411287488.db2.gz XHXFUMOLSONBBS-NSHDSACASA-N 1 0 236.319 0.386 10 0 BCAERO Nc1cc([C@@H]2CCCN2CC[NH3+])ccn1 ZINC000616608487 411287500 /nfs/dbraw/zinc/28/75/00/411287500.db2.gz WSMWWRHYYGITBT-JTQLQIEISA-N 1 0 206.293 0.759 10 0 BCAERO Nc1ccc([C@@H]2CCOCCN2CC[NH3+])cn1 ZINC000616598068 411287589 /nfs/dbraw/zinc/28/75/89/411287589.db2.gz NHCXSQOGUMNOSD-NSHDSACASA-N 1 0 236.319 0.386 10 0 BCAERO NC(=O)[C@@]1(O)CCC[N@H+](Cc2cccc(N)c2)C1 ZINC000310885139 411289395 /nfs/dbraw/zinc/28/93/95/411289395.db2.gz JBHLWJGLPUACNN-CYBMUJFWSA-N 1 0 249.314 0.081 10 0 BCAERO CCC[C@H]1C[C@@H]1NC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000309854758 411294854 /nfs/dbraw/zinc/29/48/54/411294854.db2.gz ZYGMCHNTVRRMBY-QUARPLMYSA-N 1 0 208.305 0.757 10 0 BCAERO COC[C@@H](OC)C(=O)N(C)[C@H]1CCC[NH2+]CC1 ZINC000659304920 411298074 /nfs/dbraw/zinc/29/80/74/411298074.db2.gz QPJKGGQWFWUMNQ-WDEREUQCSA-N 1 0 244.335 0.248 10 0 BCAERO COC(C)(C)[C@H](C)[NH2+]C[C@H]1CC(=O)N(C)C1 ZINC000658239228 411308117 /nfs/dbraw/zinc/30/81/17/411308117.db2.gz CCGHIHMLGNLYHD-VHSXEESVSA-N 1 0 228.336 0.868 10 0 BCAERO [NH3+]C1(CNc2ncnc3nc[nH]c32)CCCC1 ZINC000656610174 411308796 /nfs/dbraw/zinc/30/87/96/411308796.db2.gz AVVALNCXQWEGDO-UHFFFAOYSA-N 1 0 232.291 0.988 10 0 BCAERO C[N@H+](C[C@H]1CCC[C@@H]1O)[C@@H]1CCC[C@H]1O ZINC000656698078 411322863 /nfs/dbraw/zinc/32/28/63/411322863.db2.gz OTXRDRCVVCOBHA-WISYIIOYSA-N 1 0 213.321 0.993 10 0 BCAERO CC(C)([NH3+])CN1CC[C@@H](N2CCOCC2)C1 ZINC000071137288 411326331 /nfs/dbraw/zinc/32/63/31/411326331.db2.gz MWLCPGXBEMGYTJ-LLVKDONJSA-N 1 0 227.352 0.130 10 0 BCAERO CC[C@H](C)NC(=O)[C@@H](C)n1cc(C[NH3+])nn1 ZINC000050224655 411254248 /nfs/dbraw/zinc/25/42/48/411254248.db2.gz RKLUXTHOGDSQDY-JGVFFNPUSA-N 1 0 225.296 0.213 10 0 BCAERO COc1ccc(OCCn2cc(C[NH3+])nn2)cc1 ZINC000050224906 411254822 /nfs/dbraw/zinc/25/48/22/411254822.db2.gz DNMGYXMOEYDXNC-UHFFFAOYSA-N 1 0 248.286 0.824 10 0 BCAERO CCCCNC(=O)[C@H](C)n1cc(C[NH3+])nn1 ZINC000050224661 411254835 /nfs/dbraw/zinc/25/48/35/411254835.db2.gz KWZZKQOMRBGVCL-QMMMGPOBSA-N 1 0 225.296 0.214 10 0 BCAERO C[C@]1(C(=O)N[C@H]2CCC[C@H](O)C2)CCC[NH2+]C1 ZINC000062854540 411326774 /nfs/dbraw/zinc/32/67/74/411326774.db2.gz KLIMAWNZFGTSKG-GVXVVHGQSA-N 1 0 240.347 0.796 10 0 BCAERO CCCCNC(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000658382082 411358741 /nfs/dbraw/zinc/35/87/41/411358741.db2.gz BTBNKMQFBWIUOP-VHSXEESVSA-N 1 0 227.308 0.169 10 0 BCAERO CC1(C)COCCN1C(=O)[C@@H]1CC[NH2+]C1 ZINC000062116414 167969544 /nfs/dbraw/zinc/96/95/44/167969544.db2.gz PGIOORGSHSTZJB-SECBINFHSA-N 1 0 212.293 0.233 10 0 BCAERO CC[C@@H]1CN(C(=O)[C@H]2CC[NH2+]C2)[C@H](C)CO1 ZINC000403963774 411369933 /nfs/dbraw/zinc/36/99/33/411369933.db2.gz SHXIASIEYQBLNO-OUAUKWLOSA-N 1 0 226.320 0.622 10 0 BCAERO C[C@@H]([NH3+])CCC(=O)NCC[C@H]1CCCO1 ZINC000069839640 411371625 /nfs/dbraw/zinc/37/16/25/411371625.db2.gz VVQAZCOWXPZZPD-NXEZZACHSA-N 1 0 214.309 0.799 10 0 BCAERO CN(C)[C@@H]1CC[N@H+](CCCCCO)C1 ZINC000062967320 411334379 /nfs/dbraw/zinc/33/43/79/411334379.db2.gz IQTHTUFQKWQKAN-LLVKDONJSA-N 1 0 200.326 0.785 10 0 BCAERO C[NH+](C)[C@H]1CCN(c2cc(CO)ccn2)C1 ZINC000062967467 411334497 /nfs/dbraw/zinc/33/44/97/411334497.db2.gz UELPUMNPTQPEJI-NSHDSACASA-N 1 0 221.304 0.714 10 0 BCAERO Cc1csc(CCNC(=O)[C@H]2CC[NH2+]C2)n1 ZINC000063134944 411343165 /nfs/dbraw/zinc/34/31/65/411343165.db2.gz LHBGVSHPXRKECD-VIFPVBQESA-N 1 0 239.344 0.720 10 0 BCAERO C[C@H](NC(=O)[C@@H]1CC[NH2+]C1)[C@H]1CCCO1 ZINC000062112851 411347609 /nfs/dbraw/zinc/34/76/09/411347609.db2.gz ZQYSGDDMOQARKB-IVZWLZJFSA-N 1 0 212.293 0.280 10 0 BCAERO CC1(NC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)CCCCC1 ZINC000045046984 168058757 /nfs/dbraw/zinc/05/87/57/168058757.db2.gz HZHDADJKWPKRHZ-ZJUUUORDSA-N 1 0 226.320 0.548 10 0 BCAERO CC(C)([NH3+])c1cn(C[C@H](O)C(F)(F)F)nn1 ZINC000069679389 411381021 /nfs/dbraw/zinc/38/10/21/411381021.db2.gz JXHNHXSKLBERQX-LURJTMIESA-N 1 0 238.213 0.395 10 0 BCAERO CC1=NS(=O)(=O)c2c(C[NH3+])cccc2N1 ZINC000039095985 168138124 /nfs/dbraw/zinc/13/81/24/168138124.db2.gz HTXKUNWYNIZRSD-UHFFFAOYSA-N 1 0 225.273 0.678 10 0 BCAERO CC(C)[C@H](C[NH3+])N1C(=O)CC(C)CC1=O ZINC000082641908 168138706 /nfs/dbraw/zinc/13/87/06/168138706.db2.gz MJEXSIXNDFPVNE-VIFPVBQESA-N 1 0 212.293 0.755 10 0 BCAERO CC1CC(=O)N([C@H]2CCC[C@@H]2C[NH3+])C(=O)C1 ZINC000061884311 168138850 /nfs/dbraw/zinc/13/88/50/168138850.db2.gz AOHZFULFTFHXEM-ZJUUUORDSA-N 1 0 224.304 0.899 10 0 BCAERO C(C[N@@H+]1CC[C@H]2OCCN[C@@H]2C1)[C@@H]1CCCO1 ZINC000404073099 411374575 /nfs/dbraw/zinc/37/45/75/411374575.db2.gz DJISPQJVVVTOOB-YNEHKIRRSA-N 1 0 240.347 0.618 10 0 BCAERO CC1CCC(CO)([NH2+]CCC(=O)N(C)C)CC1 ZINC000053118209 168156963 /nfs/dbraw/zinc/15/69/63/168156963.db2.gz RNQQWSDFIPJLFD-UHFFFAOYSA-N 1 0 242.363 0.996 10 0 BCAERO CC1CCC(NC(=O)[C@H]2C[NH2+][C@H](C)CN2)CC1 ZINC000062814233 168162389 /nfs/dbraw/zinc/16/23/89/168162389.db2.gz NBHANDZXUHHERS-RUJICJSRSA-N 1 0 239.363 0.631 10 0 BCAERO CCC(=O)NCC1CC[NH+](CCOC)CC1 ZINC000038582750 168228230 /nfs/dbraw/zinc/22/82/30/168228230.db2.gz BEBRQUJJMUFKSG-UHFFFAOYSA-N 1 0 228.336 0.871 10 0 BCAERO CCC(C)(C)C(=O)N1CCN([C@@H](C)C[NH3+])CC1 ZINC000104052289 168261778 /nfs/dbraw/zinc/26/17/78/168261778.db2.gz DPPZWWYUKCETBV-NSHDSACASA-N 1 0 241.379 0.914 10 0 BCAERO CCC(C)(C)C(=O)N1CCN([C@H](C)C[NH3+])CC1 ZINC000104052293 168263014 /nfs/dbraw/zinc/26/30/14/168263014.db2.gz DPPZWWYUKCETBV-LLVKDONJSA-N 1 0 241.379 0.914 10 0 BCAERO COCC[C@H](C)[N@@H+]1CC[C@H]2OCCN[C@@H]2C1 ZINC000404273793 411387543 /nfs/dbraw/zinc/38/75/43/411387543.db2.gz RGXFXESXGXQDMZ-QJPTWQEYSA-N 1 0 228.336 0.474 10 0 BCAERO CCC(C)(C)NC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000020433751 168296238 /nfs/dbraw/zinc/29/62/38/168296238.db2.gz IVJBUFGACWZJHO-HTQZYQBOSA-N 1 0 200.282 0.014 10 0 BCAERO CCC(C)(C)[NH2+][C@H](C)C(=O)NC(=O)NC ZINC000020303306 168302116 /nfs/dbraw/zinc/30/21/16/168302116.db2.gz FSCIDQGDGDIDMQ-SSDOTTSWSA-N 1 0 215.297 0.609 10 0 BCAERO COCC1(N(C)C(=O)[C@H]2CCC[NH2+]C2)CC1 ZINC000659335615 411397371 /nfs/dbraw/zinc/39/73/71/411397371.db2.gz AXGBIWYKXOGHSQ-JTQLQIEISA-N 1 0 226.320 0.623 10 0 BCAERO COC[C@H](CCNC(=O)[C@H]1CC[C@H]([NH3+])C1)OC ZINC000659338274 411398339 /nfs/dbraw/zinc/39/83/39/411398339.db2.gz WNFUOKABCSPFCY-DCAQKATOSA-N 1 0 244.335 0.282 10 0 BCAERO Nc1cccc([C@H]2CCOCCN2CC[NH3+])n1 ZINC000616658593 411412803 /nfs/dbraw/zinc/41/28/03/411412803.db2.gz WBAAKJUBADANPH-LLVKDONJSA-N 1 0 236.319 0.386 10 0 BCAERO COC[C@H]([NH3+])C(=O)N1CCCC(F)(F)C1 ZINC000405110576 411417974 /nfs/dbraw/zinc/41/79/74/411417974.db2.gz BKIDCUWEIPSIKU-ZETCQYMHSA-N 1 0 222.235 0.218 10 0 BCAERO C[C@@H]1CC[NH2+][C@H](C(=O)N[C@@H]2CCC[C@H](O)C2)C1 ZINC000126198922 411421209 /nfs/dbraw/zinc/42/12/09/411421209.db2.gz RFHKNXBZJMGOJF-WYUUTHIRSA-N 1 0 240.347 0.794 10 0 BCAERO CCN(C[C@@H](C)C(N)=[NH2+])c1nccn(C)c1=O ZINC000061748117 169879327 /nfs/dbraw/zinc/87/93/27/169879327.db2.gz OGGXCOVOHHXDMV-MRVPVSSYSA-N 1 0 237.307 0.179 10 0 BCAERO COCCN(C)C[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@H]21 ZINC000653584481 411425975 /nfs/dbraw/zinc/42/59/75/411425975.db2.gz YSCIIGOMTJKOEW-RWMBFGLXSA-N 1 0 242.363 0.410 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)N[C@H](C)c1cnn(C)c1 ZINC000305877114 411427679 /nfs/dbraw/zinc/42/76/79/411427679.db2.gz IBJYANVISUZGTE-MWLCHTKSSA-N 1 0 238.335 0.971 10 0 BCAERO CC(C)[C@@H]([NH3+])CC(=O)N[C@H](C)c1cnn(C)c1 ZINC000305877113 411427683 /nfs/dbraw/zinc/42/76/83/411427683.db2.gz IBJYANVISUZGTE-KOLCDFICSA-N 1 0 238.335 0.971 10 0 BCAERO CCN(C[C@@H]1CCOC1)C(=O)[C@@H]1CC[NH2+]C1 ZINC000062115382 169887524 /nfs/dbraw/zinc/88/75/24/169887524.db2.gz SSJNKYNTNLNZHZ-WDEREUQCSA-N 1 0 226.320 0.481 10 0 BCAERO CCO[C@@H]1CN(c2ncccn2)C[C@H]1C[NH3+] ZINC000405516178 411432947 /nfs/dbraw/zinc/43/29/47/411432947.db2.gz HJTOVFKLXAYYAQ-NXEZZACHSA-N 1 0 222.292 0.277 10 0 BCAERO C[C@@H](O)CCNC(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000647922215 411433596 /nfs/dbraw/zinc/43/35/96/411433596.db2.gz AEMLIIRSCYIQMZ-HTQZYQBOSA-N 1 0 236.262 0.118 10 0 BCAERO CC(C)(C(=O)NC1CCCC1)N1CC[NH2+]CC1 ZINC000131187414 411439675 /nfs/dbraw/zinc/43/96/75/411439675.db2.gz OIQHQINOLHLFQA-UHFFFAOYSA-N 1 0 239.363 0.729 10 0 BCAERO C[C@@]1(C(=O)NCC[C@@H]2CCCO2)CCC[NH2+]1 ZINC000070618982 411440210 /nfs/dbraw/zinc/44/02/10/411440210.db2.gz LEUVWFJAWVTEBQ-JQWIXIFHSA-N 1 0 226.320 0.814 10 0 BCAERO C[C@H](O)C[NH2+][C@@H](C)c1nnc2n1CCCC2 ZINC000309897279 411447375 /nfs/dbraw/zinc/44/73/75/411447375.db2.gz GITBCNCQQQOPCG-IUCAKERBSA-N 1 0 224.308 0.646 10 0 BCAERO C[C@@H](O)C[NH2+][C@H](C)c1nnc2n1CCCC2 ZINC000309897281 411447387 /nfs/dbraw/zinc/44/73/87/411447387.db2.gz GITBCNCQQQOPCG-RKDXNWHRSA-N 1 0 224.308 0.646 10 0 BCAERO [NH3+]C1CCC(C(=O)N[C@H]2CCCOC2)CC1 ZINC000071023625 411449048 /nfs/dbraw/zinc/44/90/48/411449048.db2.gz VIDUTVSVBZIZRI-ILDUYXDCSA-N 1 0 226.320 0.799 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)NCCCn1ccnn1 ZINC000127109394 411470775 /nfs/dbraw/zinc/47/07/75/411470775.db2.gz QRJYBVPOVVAAFS-SNVBAGLBSA-N 1 0 239.323 0.158 10 0 BCAERO Cc1ncc(C[NH2+][C@@H]2CCCNC2=O)n1C ZINC000657338518 411472895 /nfs/dbraw/zinc/47/28/95/411472895.db2.gz ZIROXQAYRFGBCK-SNVBAGLBSA-N 1 0 222.292 0.097 10 0 BCAERO CCN(c1ccnc(C(N)=O)c1)[C@H]1CCC[NH2+]C1 ZINC000104336272 169944055 /nfs/dbraw/zinc/94/40/55/169944055.db2.gz TVEQBQLPPJYLDR-NSHDSACASA-N 1 0 248.330 0.759 10 0 BCAERO C[C@H](O)CC[NH2+]C[C@@H](O)CC(F)(F)F ZINC000307949845 411490153 /nfs/dbraw/zinc/49/01/53/411490153.db2.gz QYSUGGIJJOIOFU-BQBZGAKWSA-N 1 0 215.215 0.660 10 0 BCAERO C[NH+](C)C[C@H]1CC[N@@H+]([C@@H]2CCC[C@H]2O)C1 ZINC000659925444 411500808 /nfs/dbraw/zinc/50/08/08/411500808.db2.gz JHTINTNQHHNGQN-IJLUTSLNSA-N 1 0 212.337 0.783 10 0 BCAERO CCN1CC[C@@H]([NH2+][C@@H](C)Cn2cccn2)C1 ZINC000328209626 170013977 /nfs/dbraw/zinc/01/39/77/170013977.db2.gz UZBREHLBGKEYNO-NWDGAFQWSA-N 1 0 222.336 0.955 10 0 BCAERO CC[N@@H+]1CC[C@H](CNc2ncc(N)cn2)C1 ZINC000040455839 170016414 /nfs/dbraw/zinc/01/64/14/170016414.db2.gz RVMFRVLLFQYBLL-SECBINFHSA-N 1 0 221.308 0.813 10 0 BCAERO CCN1CC[C@H]([NH2+]Cc2c[nH]nc2C)C1 ZINC000328252113 170020656 /nfs/dbraw/zinc/02/06/56/170020656.db2.gz KVOJQFNBZOMMRD-NSHDSACASA-N 1 0 208.309 0.902 10 0 BCAERO CCN1C[C@H](C)[C@H]([NH2+][C@@H](C)CC(=O)NC)C1 ZINC000336677226 170038455 /nfs/dbraw/zinc/03/84/55/170038455.db2.gz BLSMNUYOICGZGK-GARJFASQSA-N 1 0 227.352 0.441 10 0 BCAERO COc1ccc(C[NH2+][C@@H]2CCNC2=O)cc1O ZINC000657522080 411540959 /nfs/dbraw/zinc/54/09/59/411540959.db2.gz HNJYCMJOKSAUNG-SECBINFHSA-N 1 0 236.271 0.379 10 0 BCAERO CCNC(=O)C1CCN(C(=O)C[C@@H](C)[NH3+])CC1 ZINC000037819042 170043873 /nfs/dbraw/zinc/04/38/73/170043873.db2.gz KYZXNHOCIMXOIZ-SECBINFHSA-N 1 0 241.335 0.098 10 0 BCAERO CCNC(=O)C[NH2+][C@@H](C)C(=O)NCCC(C)C ZINC000035207077 170065087 /nfs/dbraw/zinc/06/50/87/170065087.db2.gz RQQYGJASPSDRRJ-JTQLQIEISA-N 1 0 243.351 0.263 10 0 BCAERO CCNC(=O)CN[C@H](C)[C@@H]1CCC[N@H+](CC)C1 ZINC000036780315 170065428 /nfs/dbraw/zinc/06/54/28/170065428.db2.gz WRHHPGNSXYPULV-VXGBXAGGSA-N 1 0 241.379 0.833 10 0 BCAERO CCNC(=O)C[NH2+][C@H]1CCCc2c1cnn2C ZINC000036780493 170065953 /nfs/dbraw/zinc/06/59/53/170065953.db2.gz OCZFJLRFWGSFQQ-JTQLQIEISA-N 1 0 236.319 0.523 10 0 BCAERO CCNC(=O)N1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000051359138 170073822 /nfs/dbraw/zinc/07/38/22/170073822.db2.gz VXIZTXTWEOANFE-NXEZZACHSA-N 1 0 211.309 0.932 10 0 BCAERO CCNC(=O)[C@@H](C)NC[C@H](C)C[NH+]1CCCC1 ZINC000062072001 170087806 /nfs/dbraw/zinc/08/78/06/170087806.db2.gz RNIAQRVHSLANTR-NWDGAFQWSA-N 1 0 241.379 0.833 10 0 BCAERO CCNC(=O)[C@@H](C)[NH2+]C1CCN(C)CC1 ZINC000037249010 170087844 /nfs/dbraw/zinc/08/78/44/170087844.db2.gz BBRXRRRSWPKRSJ-SECBINFHSA-N 1 0 213.325 0.195 10 0 BCAERO CCNC(=O)[C@H](C)N1CCC([NH2+]C)CC1 ZINC000037469318 170092672 /nfs/dbraw/zinc/09/26/72/170092672.db2.gz VTLIQEKKIXXBAD-VIFPVBQESA-N 1 0 213.325 0.195 10 0 BCAERO CCNC(=O)[C@H](C)[NH2+]CC(=O)N(CC)C1CC1 ZINC000049302729 170095436 /nfs/dbraw/zinc/09/54/36/170095436.db2.gz WLVBUSPTNPBWIY-VIFPVBQESA-N 1 0 241.335 0.112 10 0 BCAERO CCNC(=O)c1cc(N[C@@H]2CCC[NH2+]C2)ccn1 ZINC000071397698 170100955 /nfs/dbraw/zinc/10/09/55/170100955.db2.gz WLDYRYBSEOAILS-LLVKDONJSA-N 1 0 248.330 0.995 10 0 BCAERO CCNC(=O)c1cc(NCC[NH+](C)C)ccn1 ZINC000035673954 170101157 /nfs/dbraw/zinc/10/11/57/170101157.db2.gz ANOCBPOPUQBVSA-UHFFFAOYSA-N 1 0 236.319 0.805 10 0 BCAERO CC[NH2+]C(C)(C)C(=O)N1CCN(CC)CC1 ZINC000061287893 170105951 /nfs/dbraw/zinc/10/59/51/170105951.db2.gz PEMALYNJSUBKRT-UHFFFAOYSA-N 1 0 227.352 0.539 10 0 BCAERO CC[NH2+]C(C)(C)C(=O)N1CCC(O)CC1 ZINC000061287780 170106107 /nfs/dbraw/zinc/10/61/07/170106107.db2.gz NPSBGYPDPIPDFG-UHFFFAOYSA-N 1 0 214.309 0.358 10 0 BCAERO CC[NH2+]C(C)(C)C(=O)N(C)C[C@H](C)C(=O)OC ZINC000061296459 170106454 /nfs/dbraw/zinc/10/64/54/170106454.db2.gz DJWNKHRVVGLESU-VIFPVBQESA-N 1 0 244.335 0.642 10 0 BCAERO CC[NH2+]C1CCN(S(=O)(=O)C(C)C)CC1 ZINC000037657158 170108806 /nfs/dbraw/zinc/10/88/06/170108806.db2.gz YRIGCYGSBCIHST-UHFFFAOYSA-N 1 0 234.365 0.799 10 0 BCAERO CC[NH2+]C1(Cc2cc(CO)on2)COC1 ZINC000067898037 170108808 /nfs/dbraw/zinc/10/88/08/170108808.db2.gz WFBGGEKOSJGDGZ-UHFFFAOYSA-N 1 0 212.249 0.088 10 0 BCAERO CC[NH2+]CC(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000044294613 170109273 /nfs/dbraw/zinc/10/92/73/170109273.db2.gz KSUVTCDPWSGPHJ-RKDXNWHRSA-N 1 0 200.282 0.232 10 0 BCAERO CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2[C@@H](C)C(N)=O ZINC000054602058 170109725 /nfs/dbraw/zinc/10/97/25/170109725.db2.gz XBPUSWXZDPCWBS-YEJSDXFRSA-N 1 0 239.363 0.855 10 0 BCAERO CC[NH2+]CCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000061289800 170111869 /nfs/dbraw/zinc/11/18/69/170111869.db2.gz QQDSRRHDDYCPRA-UHFFFAOYSA-N 1 0 248.286 0.794 10 0 BCAERO CC[NH2+]CCC(=O)N1CCOC[C@H]1C ZINC000061289283 170111967 /nfs/dbraw/zinc/11/19/67/170111967.db2.gz ZCJXMSITUDMLBV-SECBINFHSA-N 1 0 200.282 0.233 10 0 BCAERO CC[NH2+]CCC(=O)N1CCO[C@H]2CCC[C@H]21 ZINC000061299163 170112148 /nfs/dbraw/zinc/11/21/48/170112148.db2.gz DEFOJOSMECUGJX-MNOVXSKESA-N 1 0 226.320 0.766 10 0 BCAERO CC[NH2+]CCCNc1ncnc2nc[nH]c21 ZINC000038043374 170112729 /nfs/dbraw/zinc/11/27/29/170112729.db2.gz FNBQTCWSXSUIJT-UHFFFAOYSA-N 1 0 220.280 0.764 10 0 BCAERO CC[NH2+]CCN1C(=O)c2cccnc2C1=O ZINC000054267976 170113862 /nfs/dbraw/zinc/11/38/62/170113862.db2.gz UAQMVEUNZCGZFP-UHFFFAOYSA-N 1 0 219.244 0.287 10 0 BCAERO CC[NH2+]C[C@@H](C)C(=O)N(C)C[C@H](C)C(=O)OC ZINC000061265901 170117937 /nfs/dbraw/zinc/11/79/37/170117937.db2.gz MHDOQJNQIKBINH-ZJUUUORDSA-N 1 0 244.335 0.500 10 0 BCAERO CC[NH2+]C[C@@H](C)c1nnc2ncccn21 ZINC000061219788 170118848 /nfs/dbraw/zinc/11/88/48/170118848.db2.gz APUQWIXPZGJGSQ-MRVPVSSYSA-N 1 0 205.265 0.837 10 0 BCAERO CC[NH2+]C[C@@H](C)N1CCn2ccnc2C1 ZINC000062325173 170119369 /nfs/dbraw/zinc/11/93/69/170119369.db2.gz HHEBRQMKMUYQLQ-SNVBAGLBSA-N 1 0 208.309 0.697 10 0 BCAERO CC[NH2+]C[C@H](O)COc1ccccc1C(N)=O ZINC000036951098 170121828 /nfs/dbraw/zinc/12/18/28/170121828.db2.gz WYVKLGUOKILEJO-VIFPVBQESA-N 1 0 238.287 0.135 10 0 BCAERO CC[NH2+]C[C@H]1CC12CCS(=O)(=O)CC2 ZINC000054591743 170122463 /nfs/dbraw/zinc/12/24/63/170122463.db2.gz ASPUOMJNDPGHNM-SECBINFHSA-N 1 0 217.334 0.811 10 0 BCAERO CCNS(=O)(=O)C[C@@H]1CCCC[NH2+]1 ZINC000049630559 170132413 /nfs/dbraw/zinc/13/24/13/170132413.db2.gz PUNGITIDFWCCDW-QMMMGPOBSA-N 1 0 206.311 0.068 10 0 BCAERO CC[NH2+][C@@H](C)CC(=O)N1CCC[C@@H](O)C1 ZINC000061269585 170139305 /nfs/dbraw/zinc/13/93/05/170139305.db2.gz IPPVJGAQEZNQJP-VHSXEESVSA-N 1 0 214.309 0.358 10 0 BCAERO CC[NH2+][C@@H](C)CC(=O)N[C@@H](C)c1nncn1C ZINC000061270715 170139405 /nfs/dbraw/zinc/13/94/05/170139405.db2.gz MZGJMVQCMUGPKU-IUCAKERBSA-N 1 0 239.323 0.380 10 0 BCAERO CC[NH2+][C@@H](C)CC(=O)N(CC(N)=O)CC(C)C ZINC000061272522 170139591 /nfs/dbraw/zinc/13/95/91/170139591.db2.gz QASZJMXMZKUKCB-JTQLQIEISA-N 1 0 243.351 0.344 10 0 BCAERO CC[NH2+][C@@H](CCN1CCc2ccccc21)C(N)=O ZINC000062439244 170145565 /nfs/dbraw/zinc/14/55/65/170145565.db2.gz ZYIKTEDFKLQVCL-LBPRGKRZSA-N 1 0 247.342 0.903 10 0 BCAERO CC[NH2+][C@@H]1CCN(Cc2nccs2)C1=O ZINC000049660141 170152361 /nfs/dbraw/zinc/15/23/61/170152361.db2.gz SUSSQNHDVMDVEZ-MRVPVSSYSA-N 1 0 225.317 0.854 10 0 BCAERO CC[NH2+][C@H](C(N)=O)c1ccc(NC(C)=O)cc1 ZINC000037945543 170155910 /nfs/dbraw/zinc/15/59/10/170155910.db2.gz DAOPZKHKSVHPBY-NSHDSACASA-N 1 0 235.287 0.781 10 0 BCAERO CC[NH2+][C@H](C(N)=O)c1ccc2c(c1)CCO2 ZINC000037869550 170156130 /nfs/dbraw/zinc/15/61/30/170156130.db2.gz DQOUDVFLBBCZRM-NSHDSACASA-N 1 0 220.272 0.757 10 0 BCAERO CC[NH2+][C@H](C)CC(=O)N1CCn2ccnc2C1 ZINC000062254516 170156777 /nfs/dbraw/zinc/15/67/77/170156777.db2.gz COWCGGKJCMOKNQ-SNVBAGLBSA-N 1 0 236.319 0.613 10 0 BCAERO CC[NH2+][C@H](C)C[C@H]1CCS(=O)(=O)C1 ZINC000038085320 170157660 /nfs/dbraw/zinc/15/76/60/170157660.db2.gz UKHFFNYUQBDGOD-RKDXNWHRSA-N 1 0 205.323 0.809 10 0 BCAERO CC[NH2+][C@H](C)Cc1nnc2cc(C)ncn21 ZINC000061212813 170158702 /nfs/dbraw/zinc/15/87/02/170158702.db2.gz KLMHDMGMASOPJQ-MRVPVSSYSA-N 1 0 219.292 0.973 10 0 BCAERO CC[NH2+][C@H](CCN1CC[C@H]([NH+](C)C)C1)C(=O)[O-] ZINC000062968728 170161947 /nfs/dbraw/zinc/16/19/47/170161947.db2.gz PSWBTHQUUJHRAH-WDEREUQCSA-N 1 0 243.351 0.075 10 0 BCAERO CC[NH2+][C@H]1CCCc2c1cnn2CCO ZINC000037169353 170166564 /nfs/dbraw/zinc/16/65/64/170166564.db2.gz MOBSKTQZYXUGIQ-JTQLQIEISA-N 1 0 209.293 0.862 10 0 BCAERO CC[NH2+][C@H]1CCN(C[C@H]2CCCCO2)C1=O ZINC000042821715 170167531 /nfs/dbraw/zinc/16/75/31/170167531.db2.gz TUEXTTPJNHQJHN-MNOVXSKESA-N 1 0 226.320 0.766 10 0 BCAERO CC[NH2+][C@H]1CCN(Cc2cccnc2)C1=O ZINC000049648599 170168333 /nfs/dbraw/zinc/16/83/33/170168333.db2.gz NYBITGGZYMGPFV-NSHDSACASA-N 1 0 219.288 0.792 10 0 BCAERO CC[NH2+][C@H]1CCN(c2cnn(C)c2)C1=O ZINC000049648186 170168887 /nfs/dbraw/zinc/16/88/87/170168887.db2.gz RVFATVKQELCXPP-VIFPVBQESA-N 1 0 208.265 0.135 10 0 BCAERO CC[NH2+][C@H]1CCOC[C@H]1n1nc(C)nc1C ZINC000044034607 170169066 /nfs/dbraw/zinc/16/90/66/170169066.db2.gz QUYRYFDWMVSSEF-WDEREUQCSA-N 1 0 224.308 0.834 10 0 BCAERO CCOC(=O)C(C)(C)N1CCC[NH2+]CC1 ZINC000037959531 170186403 /nfs/dbraw/zinc/18/64/03/170186403.db2.gz GEJZLIGWNNQBOP-UHFFFAOYSA-N 1 0 214.309 0.623 10 0 BCAERO CCOC(=O)C1(NCC[NH+](C)C)CCOCC1 ZINC000037965231 170190786 /nfs/dbraw/zinc/19/07/86/170190786.db2.gz BHTCQBKGBDHQKB-UHFFFAOYSA-N 1 0 244.335 0.250 10 0 BCAERO CCOC(=O)CCNC(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000070578002 170208047 /nfs/dbraw/zinc/20/80/47/170208047.db2.gz FFRWEVPVIGHBRK-UWVGGRQHSA-N 1 0 242.319 0.573 10 0 BCAERO CCOC(=O)CC[NH2+]CCC(=O)N[C@H](C)CC ZINC000038014491 170208728 /nfs/dbraw/zinc/20/87/28/170208728.db2.gz IFSNLAFJMSNVCQ-SNVBAGLBSA-N 1 0 244.335 0.834 10 0 BCAERO CCOC(=O)CC[NH2+]C[C@@H]1CCCOC1 ZINC000038045574 170208797 /nfs/dbraw/zinc/20/87/97/170208797.db2.gz CBYAUSDSMLKOBX-JTQLQIEISA-N 1 0 215.293 0.956 10 0 BCAERO CCOC(=O)CC[NH2+][C@H](C)CN1CCOCC1 ZINC000049505202 170209838 /nfs/dbraw/zinc/20/98/38/170209838.db2.gz XHYRMDKWQKQQBW-LLVKDONJSA-N 1 0 244.335 0.250 10 0 BCAERO CCOC(=O)CC[NH2+][C@@H]1CCC(=O)N[C@H]1C ZINC000309837192 170209900 /nfs/dbraw/zinc/20/99/00/170209900.db2.gz BNEVJRCFLGYPNC-DTWKUNHWSA-N 1 0 228.292 0.196 10 0 BCAERO CCOC(=O)CN1[C@@H]2CCC[C@H]1CC([NH3+])C2 ZINC000054602135 170222603 /nfs/dbraw/zinc/22/26/03/170222603.db2.gz XTHGTMOCDLTODF-FGWVZKOKSA-N 1 0 226.320 0.894 10 0 BCAERO CCOC(=O)CO[C@@H]1CCC[NH+]=C1N ZINC000095924163 170228779 /nfs/dbraw/zinc/22/87/79/170228779.db2.gz PKNMEVWUZDHHLO-SSDOTTSWSA-N 1 0 200.238 0.086 10 0 BCAERO CCOC(=O)CS(=O)(=O)[C@]1(C)CCC[NH2+]C1 ZINC000261507503 170229285 /nfs/dbraw/zinc/22/92/85/170229285.db2.gz JFSCDKDNNCTHAJ-SNVBAGLBSA-N 1 0 249.332 0.106 10 0 BCAERO CCOC(=O)Nc1[s+]nn(C)c1C ZINC000015952916 170244815 /nfs/dbraw/zinc/24/48/15/170244815.db2.gz ZDRSZODSIFJIET-UHFFFAOYSA-O 1 0 202.259 0.844 10 0 BCAERO CCOC(=O)[C@@H](CCN(C)CC[NH+](C)C)NC ZINC000104194687 170250834 /nfs/dbraw/zinc/25/08/34/170250834.db2.gz AUOVVZBNEUJLNZ-LLVKDONJSA-N 1 0 245.367 0.021 10 0 BCAERO CCOC(=O)[C@@H](N)C[NH+]1CCC(C)CC1 ZINC000045374599 170252225 /nfs/dbraw/zinc/25/22/25/170252225.db2.gz BHLHMFBHEGQETO-JTQLQIEISA-N 1 0 214.309 0.609 10 0 BCAERO CCOC(=O)[C@@H]([NH3+])CCn1cc(C)cn1 ZINC000062536044 170252540 /nfs/dbraw/zinc/25/25/40/170252540.db2.gz KGPJOYBUNOJFIY-VIFPVBQESA-N 1 0 211.265 0.472 10 0 BCAERO CCOC(=O)[C@@H](N)C[N@@H+]1CCC[C@@H](C)C1 ZINC000222909055 170252556 /nfs/dbraw/zinc/25/25/56/170252556.db2.gz FLPNLJNFGPTGTD-ZJUUUORDSA-N 1 0 214.309 0.609 10 0 BCAERO CCOC(=O)[C@@H](N)CC[NH+]1CCCC1 ZINC000062439993 170253034 /nfs/dbraw/zinc/25/30/34/170253034.db2.gz FDELSFKEIBWYQV-VIFPVBQESA-N 1 0 200.282 0.363 10 0 BCAERO CCOC(=O)[C@@H](NCC[NH+](C)C)[C@H]1CCOC1 ZINC000037965160 170255650 /nfs/dbraw/zinc/25/56/50/170255650.db2.gz NFEBCOXRKXPORF-QWRGUYRKSA-N 1 0 244.335 0.106 10 0 BCAERO CCOC(=O)[C@@H]1CCCN1C1CC[NH2+]CC1 ZINC000038042530 170258272 /nfs/dbraw/zinc/25/82/72/170258272.db2.gz RCLVEBLEOJDOHD-NSHDSACASA-N 1 0 226.320 0.766 10 0 BCAERO CCOC(=O)[C@@]1(NC)C[NH+]2CCC1CC2 ZINC000037458944 170263212 /nfs/dbraw/zinc/26/32/12/170263212.db2.gz FCUMPGFJHDYVJO-LLVKDONJSA-N 1 0 212.293 0.233 10 0 BCAERO CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+][C@H](C)[C@@H]1C[C@@H]1C ZINC000657607581 411561212 /nfs/dbraw/zinc/56/12/12/411561212.db2.gz ZLSYCBUZPDSGGV-UNQZSWDGSA-N 1 0 247.360 0.433 10 0 BCAERO CCOC(=O)[C@H](N)CC[N@H+](CC)C1CC1 ZINC000062446973 170273578 /nfs/dbraw/zinc/27/35/78/170273578.db2.gz YOOILMHAHOYNLR-SNVBAGLBSA-N 1 0 214.309 0.751 10 0 BCAERO CCOC(=O)[C@H](N)CC[NH+]1CCCCC1 ZINC000062441997 170273671 /nfs/dbraw/zinc/27/36/71/170273671.db2.gz IYMQDSKFSZJNHF-SNVBAGLBSA-N 1 0 214.309 0.753 10 0 BCAERO CCOC(=O)[C@H](N)CC[N@H+](C)CC1CC1 ZINC000062452915 170274083 /nfs/dbraw/zinc/27/40/83/170274083.db2.gz IYVBVZPTODCUSL-SNVBAGLBSA-N 1 0 214.309 0.609 10 0 BCAERO CCOC(=O)[C@H](N)C[N@H+](C)CC1CCC1 ZINC000061483062 170275498 /nfs/dbraw/zinc/27/54/98/170275498.db2.gz RSTIHEXMDQWGOH-SNVBAGLBSA-N 1 0 214.309 0.609 10 0 BCAERO CCOC(=O)[C@H]1CCCN1CCC[NH+](C)C ZINC000164196916 170280730 /nfs/dbraw/zinc/28/07/30/170280730.db2.gz ZEGYGWXHTIUKOA-LLVKDONJSA-N 1 0 228.336 0.966 10 0 BCAERO CCOC(=O)c1ccc(N2CC([NH3+])C2)nc1 ZINC000083636653 170296176 /nfs/dbraw/zinc/29/61/76/170296176.db2.gz SAHCTRDCINMBBZ-UHFFFAOYSA-N 1 0 221.260 0.406 10 0 BCAERO CCOC(=O)c1cccc(-n2nncc2C[NH3+])c1 ZINC000070460937 170298520 /nfs/dbraw/zinc/29/85/20/170298520.db2.gz YGKPLBOUAMWUSQ-UHFFFAOYSA-N 1 0 246.270 0.903 10 0 BCAERO CCOC1CC(C[NH3+])(N2CCOCC2)C1 ZINC000098095731 170324434 /nfs/dbraw/zinc/32/44/34/170324434.db2.gz ODHMIXCRNMOSSI-UHFFFAOYSA-N 1 0 214.309 0.215 10 0 BCAERO CCOC1CCN([C@@H]2COCC[C@@H]2[NH3+])CC1 ZINC000040689368 170332099 /nfs/dbraw/zinc/33/20/99/170332099.db2.gz YMJFGNIQMFSRJF-NWDGAFQWSA-N 1 0 228.336 0.604 10 0 BCAERO CCOC1CCN([C@H]2COCC[C@H]2[NH3+])CC1 ZINC000040689371 170332710 /nfs/dbraw/zinc/33/27/10/170332710.db2.gz YMJFGNIQMFSRJF-NEPJUHHUSA-N 1 0 228.336 0.604 10 0 BCAERO CCOC1CCN([C@@H]2COCC[C@H]2[NH3+])CC1 ZINC000040689370 170332733 /nfs/dbraw/zinc/33/27/33/170332733.db2.gz YMJFGNIQMFSRJF-VXGBXAGGSA-N 1 0 228.336 0.604 10 0 BCAERO CCOCCC(=O)N1C[C@@H]2C[C@@H]([NH3+])CC[C@@H]2C1 ZINC000053733637 170359044 /nfs/dbraw/zinc/35/90/44/170359044.db2.gz WHEYSVCKJKINFC-WOPDTQHZSA-N 1 0 240.347 0.999 10 0 BCAERO CC(C)C[C@@H]([NH3+])C(=O)NCCC(=O)NC(C)C ZINC000130172367 411568960 /nfs/dbraw/zinc/56/89/60/411568960.db2.gz YTPGSGDECLVUQC-SNVBAGLBSA-N 1 0 243.351 0.391 10 0 BCAERO CCOCCC[NH2+][C@@H]1CCC(=O)N[C@@H]1C ZINC000309054294 170382004 /nfs/dbraw/zinc/38/20/04/170382004.db2.gz SSBJZUOMTNDHQS-NXEZZACHSA-N 1 0 214.309 0.670 10 0 BCAERO CCOCCN1CC[N@H+](C[C@@H](C)O)[C@@H](CC)C1 ZINC000105912838 170399875 /nfs/dbraw/zinc/39/98/75/170399875.db2.gz WIPFXMHFWCOTQC-OLZOCXBDSA-N 1 0 244.379 0.800 10 0 BCAERO CCOCC[NH2+]C[C@@H](O)COCCOC(C)C ZINC000037892834 170411877 /nfs/dbraw/zinc/41/18/77/170411877.db2.gz DOSRVVPBDLAXSD-GFCCVEGCSA-N 1 0 249.351 0.415 10 0 BCAERO CCOCCO[C@H](C)C(=O)N1CCC[C@H]1C[NH3+] ZINC000236936122 170421769 /nfs/dbraw/zinc/42/17/69/170421769.db2.gz QFKCQYUCLJNEHL-MNOVXSKESA-N 1 0 244.335 0.378 10 0 BCAERO CN1C[C@H](C[NH2+]Cc2cccc(O)c2)CC1=O ZINC000657693718 411579789 /nfs/dbraw/zinc/57/97/89/411579789.db2.gz GIYQIRCXPQBQTB-NSHDSACASA-N 1 0 234.299 0.960 10 0 BCAERO Cc1c(C[NH2+]C[C@H]2CC(=O)N(C)C2)cnn1C ZINC000657696178 411581020 /nfs/dbraw/zinc/58/10/20/411581020.db2.gz SLHHZPZTPFLNMH-SNVBAGLBSA-N 1 0 236.319 0.296 10 0 BCAERO CN1C[C@H](C[NH2+]Cc2ccco2)CC1=O ZINC000657694723 411581096 /nfs/dbraw/zinc/58/10/96/411581096.db2.gz PVRADANOKPWNEF-VIFPVBQESA-N 1 0 208.261 0.848 10 0 BCAERO Cn1ccc(C[NH2+]C[C@H]2CC(=O)N(C)C2)c1 ZINC000657696886 411581212 /nfs/dbraw/zinc/58/12/12/411581212.db2.gz XKDNGXQNUYYHRO-LLVKDONJSA-N 1 0 221.304 0.593 10 0 BCAERO C[C@@H]1C[C@H]([NH2+]C[C@H]2CC(=O)N(C)C2)[C@H](C)O1 ZINC000657695822 411581255 /nfs/dbraw/zinc/58/12/55/411581255.db2.gz BVGKIWRXOIGZRH-YTWAJWBKSA-N 1 0 226.320 0.620 10 0 BCAERO Cc1cnccc1C[NH2+]C[C@@H]1CC(=O)N(C)C1 ZINC000657697573 411581917 /nfs/dbraw/zinc/58/19/17/411581917.db2.gz UEOASAGKCRLQNG-NSHDSACASA-N 1 0 233.315 0.958 10 0 BCAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]CCO[C@H]1CC1(F)F ZINC000660476318 411590722 /nfs/dbraw/zinc/59/07/22/411590722.db2.gz FJJQCMDCRLMQNT-CIUDSAMLSA-N 1 0 248.273 0.667 10 0 BCAERO CC(C)=CCC[N@@H+]1CCC[C@@](O)(C(N)=O)C1 ZINC000660522949 411595703 /nfs/dbraw/zinc/59/57/03/411595703.db2.gz SXKVLBUNFFNPLJ-LBPRGKRZSA-N 1 0 226.320 0.655 10 0 BCAERO COCCN1CC[C@H]([NH2+]C2CC(CO)C2)C1 ZINC000657810938 411603207 /nfs/dbraw/zinc/60/32/07/411603207.db2.gz NQULWJMAIKCHGX-CXQJBGSLSA-N 1 0 228.336 0.068 10 0 BCAERO Cc1nn(C)cc1C[NH2+]C1CC(CO)C1 ZINC000657811583 411603368 /nfs/dbraw/zinc/60/33/68/411603368.db2.gz XQQCMOROHRIUCB-UHFFFAOYSA-N 1 0 209.293 0.589 10 0 BCAERO c1nc2c(c(NC[C@@H]3C[NH2+]CCCO3)n1)CCC2 ZINC000390210641 411706884 /nfs/dbraw/zinc/70/68/84/411706884.db2.gz LGHMIADWXAJXQB-JTQLQIEISA-N 1 0 248.330 0.756 10 0 BCAERO CCO[C@H]1C[C@@H]1C(=O)NCC1(C)CC[NH2+]CC1 ZINC000183327943 170508694 /nfs/dbraw/zinc/50/86/94/170508694.db2.gz MYYUHQGVWSSJNM-QWRGUYRKSA-N 1 0 240.347 0.917 10 0 BCAERO Cc1cc2c(N[C@@H](C)[C@H](C)[NH3+])nccn2n1 ZINC000381734578 411662956 /nfs/dbraw/zinc/66/29/56/411662956.db2.gz LIFTXZPAIBGNAY-IUCAKERBSA-N 1 0 219.292 1.185 10 0 BCAERO CCOc1ccc(Nc2nnnn2C)cc1C[NH3+] ZINC000104316997 170554684 /nfs/dbraw/zinc/55/46/84/170554684.db2.gz NFEAUGIVUJEYOO-UHFFFAOYSA-N 1 0 248.290 0.811 10 0 BCAERO CCOC(=O)c1ccc(NC[C@@H](C)C[NH3+])nc1 ZINC000420213859 411686952 /nfs/dbraw/zinc/68/69/52/411686952.db2.gz IMMWNYZYOMKGGG-VIFPVBQESA-N 1 0 237.303 1.265 10 0 BCAERO O[C@@H]1C[NH2+]C[C@@H]1CNc1ccc(Cl)cn1 ZINC000420253291 411695134 /nfs/dbraw/zinc/69/51/34/411695134.db2.gz PLBBBTVEHQEARG-VXNVDRBHSA-N 1 0 227.695 0.727 10 0 BCAERO O[C@@H]1C[NH2+]C[C@@H]1CNc1nc2ccccc2o1 ZINC000420249190 411695438 /nfs/dbraw/zinc/69/54/38/411695438.db2.gz IWNHIUKRIQQILF-PSASIEDQSA-N 1 0 233.271 0.820 10 0 BCAERO O[C@@H]1C[NH2+]C[C@@H]1CNc1nc2ccccc2s1 ZINC000420259834 411695649 /nfs/dbraw/zinc/69/56/49/411695649.db2.gz ZIIIHSDKRYDPIY-PSASIEDQSA-N 1 0 249.339 1.289 10 0 BCAERO O[C@H]1C[NH2+]C[C@H]1CNc1nc2ccccc2o1 ZINC000420249196 411698132 /nfs/dbraw/zinc/69/81/32/411698132.db2.gz IWNHIUKRIQQILF-WPRPVWTQSA-N 1 0 233.271 0.820 10 0 BCAERO Cc1cn2nc(NCC[NH2+]C3CC3)sc2n1 ZINC000381608582 411732114 /nfs/dbraw/zinc/73/21/14/411732114.db2.gz RIMDPGCEWMWKPD-UHFFFAOYSA-N 1 0 237.332 1.263 10 0 BCAERO CC[C@@H]1[NH2+]CC[C@H]1Nc1nccn(CC)c1=O ZINC000630525967 411742057 /nfs/dbraw/zinc/74/20/57/411742057.db2.gz NVIMOGWFMUVALB-VHSXEESVSA-N 1 0 236.319 0.816 10 0 BCAERO CC[C@H]([NH3+])CNc1ncnc2[nH]ccc21 ZINC000420270127 411750326 /nfs/dbraw/zinc/75/03/26/411750326.db2.gz UQAOVJWCAVFATF-ZETCQYMHSA-N 1 0 205.265 1.107 10 0 BCAERO CN1CCN(c2ncncc2Cl)[C@@H](C[NH3+])C1 ZINC000218272291 411758605 /nfs/dbraw/zinc/75/86/05/411758605.db2.gz MTXDAKBZHJXUOC-QMMMGPOBSA-N 1 0 241.726 0.209 10 0 BCAERO CCS(=O)(=O)NCC[C@@H]1CCCC[NH2+]1 ZINC000019477051 170617763 /nfs/dbraw/zinc/61/77/63/170617763.db2.gz UBQUWLLAUWJNQH-VIFPVBQESA-N 1 0 220.338 0.458 10 0 BCAERO CCS(=O)(=O)N[C@H]1CCCC[C@H]1[NH3+] ZINC000038050040 170619898 /nfs/dbraw/zinc/61/98/98/170619898.db2.gz VFLWDJMYKYCTDQ-SFYZADRCSA-N 1 0 206.311 0.196 10 0 BCAERO CCSc1nnc(N)n1CCC[NH+](C)C ZINC000040172418 170658302 /nfs/dbraw/zinc/65/83/02/170658302.db2.gz KBOWLURUZHEFMV-UHFFFAOYSA-N 1 0 229.353 0.924 10 0 BCAERO CCOc1nccnc1NC[C@@H]1CC[NH2+]C1 ZINC000643025367 411719870 /nfs/dbraw/zinc/71/98/70/411719870.db2.gz JEPOQRXHCLNOAU-SECBINFHSA-N 1 0 222.292 0.897 10 0 BCAERO CCOc1nccnc1N[C@H](C)[C@@H](C)[NH3+] ZINC000643045972 411720043 /nfs/dbraw/zinc/72/00/43/411720043.db2.gz VGAZSTAGTUTNJN-HTQZYQBOSA-N 1 0 210.281 1.023 10 0 BCAERO CCOc1nccnc1NC[C@H]1CCCC[NH2+]1 ZINC000642996367 411720245 /nfs/dbraw/zinc/72/02/45/411720245.db2.gz XGNRYQMRCCLLAA-SNVBAGLBSA-N 1 0 236.319 1.429 10 0 BCAERO CCOc1nccnc1NCCOCC[NH2+]C ZINC000630531643 411720273 /nfs/dbraw/zinc/72/02/73/411720273.db2.gz YBAVOQJDPQPQBR-UHFFFAOYSA-N 1 0 240.307 0.523 10 0 BCAERO CC(C)(C)OC[C@H](O)C[NH2+][C@@H](CO)C1CCC1 ZINC000661156902 411722501 /nfs/dbraw/zinc/72/25/01/411722501.db2.gz KURFZDOCUKHGGT-NEPJUHHUSA-N 1 0 245.363 0.913 10 0 BCAERO C[C@H]1C[NH+](CC(C)(C)O)C[C@H](C)C1O ZINC000661627932 411823772 /nfs/dbraw/zinc/82/37/72/411823772.db2.gz RKVRXNUXRADGTI-IUCAKERBSA-N 1 0 201.310 0.706 10 0 BCAERO C[C@@H]1CC[C@H](Nc2ccc(C(N)=O)nn2)C[NH2+]1 ZINC000630532768 411838107 /nfs/dbraw/zinc/83/81/07/411838107.db2.gz KOKSLZBHSIPRPN-SFYZADRCSA-N 1 0 235.291 0.128 10 0 BCAERO Cn1ccc(NC(=O)[C@]23CCC[C@H]2C[NH2+]C3)n1 ZINC000634736531 411845047 /nfs/dbraw/zinc/84/50/47/411845047.db2.gz QJOWJNBGJNEGRQ-CABZTGNLSA-N 1 0 234.303 0.748 10 0 BCAERO CC[C@@H](C)NC(=O)C[NH2+]C[C@H]1CCCOC1 ZINC000038045940 170740231 /nfs/dbraw/zinc/74/02/31/170740231.db2.gz FKPGKCBCRKOMGU-GHMZBOCLSA-N 1 0 228.336 0.917 10 0 BCAERO CC[C@@H](C)[NH2+]C1(CO)CCN(C)CC1 ZINC000038116236 170750021 /nfs/dbraw/zinc/75/00/21/170750021.db2.gz KGGVGNNXUQOSSK-SNVBAGLBSA-N 1 0 200.326 0.831 10 0 BCAERO CC[N@@H+]1CCO[C@@H](c2cc(N)n[nH]2)CC1 ZINC000616593707 411857407 /nfs/dbraw/zinc/85/74/07/411857407.db2.gz LAOXBFVFCQFLPB-SECBINFHSA-N 1 0 210.281 0.775 10 0 BCAERO CC[N@@H+]1CCN[C@H](c2ccc(N)nc2)C1 ZINC000616632894 411858093 /nfs/dbraw/zinc/85/80/93/411858093.db2.gz RPFZTWZWHDQQED-JTQLQIEISA-N 1 0 206.293 0.630 10 0 BCAERO C[C@]1(C(=O)NCC2(CO)CC2)CCC[NH2+]1 ZINC000133739993 411927373 /nfs/dbraw/zinc/92/73/73/411927373.db2.gz CNFMXDRVOWCKST-SNVBAGLBSA-N 1 0 212.293 0.017 10 0 BCAERO [NH3+]C[C@H]1CCC[C@@H]1C(=O)NCC1(CO)CC1 ZINC000133740741 411928006 /nfs/dbraw/zinc/92/80/06/411928006.db2.gz LCWGCYHUCKDMIV-ZJUUUORDSA-N 1 0 226.320 0.250 10 0 BCAERO CC[C@@H]([NH3+])C[C@H](N)C(=O)OC(C)(C)C ZINC000095930135 170865433 /nfs/dbraw/zinc/86/54/33/170865433.db2.gz BRSLWKWNVWIWSD-SFYZADRCSA-N 1 0 202.298 0.783 10 0 BCAERO CC[C@@H]([NH3+])Cc1noc(-c2cnn(C)c2)n1 ZINC000054184508 170866949 /nfs/dbraw/zinc/86/69/49/170866949.db2.gz DHEOKYFUWKDJGO-MRVPVSSYSA-N 1 0 221.264 0.750 10 0 BCAERO CC[C@@H]([NH2+][C@@H](CO)c1ccccc1)C(N)=O ZINC000063002177 170909359 /nfs/dbraw/zinc/90/93/59/170909359.db2.gz HVPQJVMHHMTEDK-MNOVXSKESA-N 1 0 222.288 0.574 10 0 BCAERO C[C@H]1C[N@H+](CC2(O)CCC2)C[C@]1(C)CO ZINC000662144176 412007070 /nfs/dbraw/zinc/00/70/70/412007070.db2.gz UREFGPYUQGOGHD-WDEREUQCSA-N 1 0 213.321 0.852 10 0 BCAERO Nc1cc([C@H]2CCCC[N@H+](CCO)C2)[nH]n1 ZINC000616630048 411950067 /nfs/dbraw/zinc/95/00/67/411950067.db2.gz YBIBKTJYPYRYET-VIFPVBQESA-N 1 0 224.308 0.554 10 0 BCAERO Nc1ccc([C@@H]2C[N@H+](CCO)CCCO2)cn1 ZINC000616678033 411960886 /nfs/dbraw/zinc/96/08/86/411960886.db2.gz CZIFBFKSFUAWFC-NSHDSACASA-N 1 0 237.303 0.420 10 0 BCAERO Cc1c[nH+]ccc1NC[C@H]1CC(=O)N(C)C1 ZINC000664456428 411963588 /nfs/dbraw/zinc/96/35/88/411963588.db2.gz KZVPYGNHAJSASH-SNVBAGLBSA-N 1 0 219.288 0.702 10 0 BCAERO COC[C@@H](CN1CCC[C@H]1C[NH3+])OC ZINC000662243395 412031684 /nfs/dbraw/zinc/03/16/84/412031684.db2.gz CTWDQCVFSMPNMT-VHSXEESVSA-N 1 0 202.298 0.071 10 0 BCAERO COC[C@H](CN1CCC[C@H]1C[NH3+])OC ZINC000662243394 412039376 /nfs/dbraw/zinc/03/93/76/412039376.db2.gz CTWDQCVFSMPNMT-UWVGGRQHSA-N 1 0 202.298 0.071 10 0 BCAERO c1cn2c(n1)CN(C[C@H]1CCC3(C[NH2+]C3)O1)CC2 ZINC000662260124 412054220 /nfs/dbraw/zinc/05/42/20/412054220.db2.gz HYPQIHHKEQQTFA-LLVKDONJSA-N 1 0 248.330 0.220 10 0 BCAERO CC[C@@H]1CCN(CCS(C)(=O)=O)CCC[NH2+]1 ZINC000049662680 171011952 /nfs/dbraw/zinc/01/19/52/171011952.db2.gz TYIDSLUVCFKUGB-LLVKDONJSA-N 1 0 248.392 0.495 10 0 BCAERO CC[C@@H]1CC[C@@H](C)N1C(=O)[C@@H]([NH3+])COC ZINC000224194611 171034618 /nfs/dbraw/zinc/03/46/18/171034618.db2.gz QOLWBNNHDDOBHR-BBBLOLIVSA-N 1 0 214.309 0.750 10 0 BCAERO CC[C@@H]1CN(C(=O)[C@@H]2CC[C@@H]([NH3+])C2)CCO1 ZINC000227879611 171068624 /nfs/dbraw/zinc/06/86/24/171068624.db2.gz IECRTAHULPSFMP-GMTAPVOTSA-N 1 0 226.320 0.751 10 0 BCAERO CC[C@@H]1CSC(N[C@@H](C)C(N)=O)=N1 ZINC000035796428 171114086 /nfs/dbraw/zinc/11/40/86/171114086.db2.gz UJIIWBAEPQHVTB-NTSWFWBYSA-N 1 0 201.295 0.331 10 0 BCAERO CC[C@@H]1CSC(N[C@@H](C)C(=O)N(C)C)=N1 ZINC000042572559 171114898 /nfs/dbraw/zinc/11/48/98/171114898.db2.gz BAVQFKALEOVJGZ-JGVFFNPUSA-N 1 0 229.349 0.934 10 0 BCAERO CC[C@@](C)(O)C[N@@H+]1CCC[C@@H](O)CC1 ZINC000307146952 171177429 /nfs/dbraw/zinc/17/74/29/171177429.db2.gz ODNYYUYLABXKOA-GHMZBOCLSA-N 1 0 201.310 0.994 10 0 BCAERO CC[C@@]1(C(=O)N[C@@H]2CCCOC2)CCC[NH2+]1 ZINC000129031811 171195591 /nfs/dbraw/zinc/19/55/91/171195591.db2.gz GWWLBYZHBLXIPF-PWSUYJOCSA-N 1 0 226.320 0.814 10 0 BCAERO CC[C@@]1(C(=O)NCC(OC)OC)CCC[NH2+]C1 ZINC000062859331 171195970 /nfs/dbraw/zinc/19/59/70/171195970.db2.gz CAEGAMRTLASYDL-GFCCVEGCSA-N 1 0 244.335 0.501 10 0 BCAERO CC[C@@]1(C)NC(=O)N(CCCC[NH3+])C1=O ZINC000019264234 171209168 /nfs/dbraw/zinc/20/91/68/171209168.db2.gz WUWBONGKBOJDLF-SNVBAGLBSA-N 1 0 213.281 0.446 10 0 BCAERO CC[C@H](C(N)=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000113164103 171244773 /nfs/dbraw/zinc/24/47/73/171244773.db2.gz BGTNMOUEPSNYCE-NXEZZACHSA-N 1 0 211.309 0.030 10 0 BCAERO CC[C@H](C)N(CC[NH3+])S(=O)(=O)CC ZINC000076584599 171313080 /nfs/dbraw/zinc/31/30/80/171313080.db2.gz AGLYAZDQRNUMFV-QMMMGPOBSA-N 1 0 208.327 0.395 10 0 BCAERO CC[C@H](C)NC(=O)CC[NH2+][C@@H](C)CC(=O)OC ZINC000038014524 171322304 /nfs/dbraw/zinc/32/23/04/171322304.db2.gz XGZMAHBZFICKNZ-UWVGGRQHSA-N 1 0 244.335 0.832 10 0 BCAERO CC[C@H](C)NC(=O)C[N@H+](C)CCC(N)=S ZINC000019834950 171323633 /nfs/dbraw/zinc/32/36/33/171323633.db2.gz GMBOQXPYRBGNFS-QMMMGPOBSA-N 1 0 231.365 0.509 10 0 BCAERO CC[C@H](C)NC(=O)CNCCC[NH+]1CCCC1 ZINC000059382902 171326472 /nfs/dbraw/zinc/32/64/72/171326472.db2.gz HIHATEDEOPXRJE-LBPRGKRZSA-N 1 0 241.379 0.977 10 0 BCAERO CC[C@H](C)[NH2+]CC(=O)Nc1ccc(=O)n(C)c1 ZINC000037770339 171339237 /nfs/dbraw/zinc/33/92/37/171339237.db2.gz PCPUKFWSLWHPBF-VIFPVBQESA-N 1 0 237.303 0.712 10 0 BCAERO CC[C@H](C)[NH2+]C1(C(N)=O)CCOCC1 ZINC000038065107 171339276 /nfs/dbraw/zinc/33/92/76/171339276.db2.gz VHBQVJRNKMRJDZ-QMMMGPOBSA-N 1 0 200.282 0.409 10 0 BCAERO CC[C@H](C)[NH2+][C@@H](C)C(=O)NCCCOC ZINC000034938604 171345210 /nfs/dbraw/zinc/34/52/10/171345210.db2.gz OLEGPUMSCXUJFW-UWVGGRQHSA-N 1 0 216.325 0.916 10 0 BCAERO CC(C)n1nnnc1CN(C)CC(C)(C)[NH3+] ZINC000662293615 412081401 /nfs/dbraw/zinc/08/14/01/412081401.db2.gz GPZSJVQUVNCUBN-UHFFFAOYSA-N 1 0 226.328 0.423 10 0 BCAERO CC[C@H](C)[C@@H]([NH3+])C(=O)NC1CCC(O)CC1 ZINC000019519739 171369329 /nfs/dbraw/zinc/36/93/29/171369329.db2.gz OPEREELOCPPVRF-IDWGSYCQSA-N 1 0 228.336 0.780 10 0 BCAERO CC[C@H](C)[C@H]([NH3+])C(=O)N1CCC[C@@H](CO)C1 ZINC000040461804 171393973 /nfs/dbraw/zinc/39/39/73/171393973.db2.gz ZBXBFAJQLOPEQT-AXFHLTTASA-N 1 0 228.336 0.591 10 0 BCAERO CC[C@H](C)[C@H]([NH3+])C(=O)NC1CCC(O)CC1 ZINC000019519741 171394469 /nfs/dbraw/zinc/39/44/69/171394469.db2.gz OPEREELOCPPVRF-PMUOWJKOSA-N 1 0 228.336 0.780 10 0 BCAERO CC[C@H](C)[C@H]([NH3+])C(=O)NC1=NCCS1 ZINC000237018865 171394473 /nfs/dbraw/zinc/39/44/73/171394473.db2.gz DFJHDFNRQWXLKA-BQBZGAKWSA-N 1 0 215.322 0.579 10 0 BCAERO CC[C@H](C)[C@H]([NH3+])C(=O)NCCc1c[nH]cn1 ZINC000083353543 171395535 /nfs/dbraw/zinc/39/55/35/171395535.db2.gz LHQQFUYGQMAZAR-WPRPVWTQSA-N 1 0 224.308 0.442 10 0 BCAERO CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H](CCO)CSC ZINC000236907305 171396001 /nfs/dbraw/zinc/39/60/01/171396001.db2.gz DSLSZCBPCAUXLF-GUBZILKMSA-N 1 0 248.392 0.590 10 0 BCAERO CC[C@H]([NH2+]C)C(=O)N1CCC[C@@H](NC(C)=O)C1 ZINC000662387862 412140784 /nfs/dbraw/zinc/14/07/84/412140784.db2.gz LOXYQYWWTBWJQW-MNOVXSKESA-N 1 0 241.335 0.112 10 0 BCAERO O=C(NC1CCCC1)[C@@]1(O)CCC[NH2+]C1 ZINC000220179065 412097903 /nfs/dbraw/zinc/09/79/03/412097903.db2.gz DMNPDOZXZFEQPO-LLVKDONJSA-N 1 0 212.293 0.160 10 0 BCAERO CC[C@H](C[NH3+])C(=O)N1C[C@H](C)OC(C)(C)C1 ZINC000045708703 171430234 /nfs/dbraw/zinc/43/02/34/171430234.db2.gz HUJVJFCVZLQHPX-VHSXEESVSA-N 1 0 228.336 0.997 10 0 BCAERO CC[C@H](C[NH3+])NC(=O)c1cnc(C)cn1 ZINC000039105693 171430992 /nfs/dbraw/zinc/43/09/92/171430992.db2.gz SQFVUVWFECZDTK-MRVPVSSYSA-N 1 0 208.265 0.252 10 0 BCAERO C[C@H](CCCCO)[NH2+][C@H]1CCC(=O)N[C@H]1C ZINC000309790232 487622372 /nfs/dbraw/zinc/62/23/72/487622372.db2.gz UHADWOPWDOGNSH-VWYCJHECSA-N 1 0 228.336 0.794 10 0 BCAERO C[C@H]([NH3+])[C@H](C)Nc1ccc(Br)nn1 ZINC000575582659 412215817 /nfs/dbraw/zinc/21/58/17/412215817.db2.gz FXMRUCSBDGKUFQ-WDSKDSINSA-N 1 0 245.124 1.387 10 0 BCAERO NC(=O)c1cccc(C[NH2+]CC2CC(O)C2)c1 ZINC000091424033 322929920 /nfs/dbraw/zinc/92/99/20/322929920.db2.gz BZRAYJLLDYDEHS-UHFFFAOYSA-N 1 0 234.299 0.646 10 0 BCAERO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H]1CCNC1=O ZINC000665229278 412168433 /nfs/dbraw/zinc/16/84/33/412168433.db2.gz UOPOVFSOTBAPJY-GRYCIOLGSA-N 1 0 239.363 0.775 10 0 BCAERO CCC[C@H]([NH3+])C(=O)NCCO[C@H]1CC1(F)F ZINC000662646384 412254564 /nfs/dbraw/zinc/25/45/64/412254564.db2.gz NUNIYQGKUJOYFO-YUMQZZPRSA-N 1 0 236.262 0.654 10 0 BCAERO C[C@H]1CC[NH2+]C[C@@H]1Nc1ccc(C#N)nn1 ZINC000396940360 412259304 /nfs/dbraw/zinc/25/93/04/412259304.db2.gz TUYONYIYKPHZCJ-WPRPVWTQSA-N 1 0 217.276 0.758 10 0 BCAERO COC[C@H]([NH3+])C(=O)NCCCC1CCC1 ZINC000662666799 412264894 /nfs/dbraw/zinc/26/48/94/412264894.db2.gz SSCYGOVKIZMDRJ-JTQLQIEISA-N 1 0 214.309 0.657 10 0 BCAERO COC[C@H]([NH3+])C(=O)NC[C@H]1CCC[C@H](C)O1 ZINC000662667884 412265726 /nfs/dbraw/zinc/26/57/26/412265726.db2.gz ZNJXBFQMHBASKU-AEJSXWLSSA-N 1 0 230.308 0.034 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC[C@@H]2C[C@@H]2C1 ZINC000662705293 412277634 /nfs/dbraw/zinc/27/76/34/412277634.db2.gz NXCWTTWJHHBJFF-GWOFURMSSA-N 1 0 208.305 0.710 10 0 BCAERO [NH3+][C@@H]1CC[C@H](C(=O)N2CC[C@@H]3COC[C@@H]3C2)C1 ZINC000662711560 412279891 /nfs/dbraw/zinc/27/98/91/412279891.db2.gz OOEUHVUOCSMFDE-WHOHXGKFSA-N 1 0 238.331 0.609 10 0 BCAERO COC[C@H]([NH3+])C(=O)N1CCC[C@H](C2CCC2)C1 ZINC000662712180 412279958 /nfs/dbraw/zinc/27/99/58/412279958.db2.gz DYIKEJXYHXPIGA-RYUDHWBXSA-N 1 0 240.347 0.999 10 0 BCAERO C[NH2+][C@H](C)CNC(=O)[C@@H](OC)C1CCC1 ZINC000662559726 412218487 /nfs/dbraw/zinc/21/84/87/412218487.db2.gz DPZLBWKUCJBJKQ-SCZZXKLOSA-N 1 0 214.309 0.526 10 0 BCAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000662563744 412220457 /nfs/dbraw/zinc/22/04/57/412220457.db2.gz RPXTVJMLCDEEFA-LVEVGFFFSA-N 1 0 238.331 0.119 10 0 BCAERO C[C@H](CCCCO)[NH2+][C@H]1CCC(=O)N[C@@H]1C ZINC000309790230 487622588 /nfs/dbraw/zinc/62/25/88/487622588.db2.gz UHADWOPWDOGNSH-MXWKQRLJSA-N 1 0 228.336 0.794 10 0 BCAERO C[NH2+][C@H](C)C(=O)NC[C@H](C)c1ccccn1 ZINC000662604643 412235926 /nfs/dbraw/zinc/23/59/26/412235926.db2.gz FVLMNAPUUNLACM-VHSXEESVSA-N 1 0 221.304 0.909 10 0 BCAERO [NH3+][C@H]1C[C@H](C(=O)NC[C@@H]2CCCC[C@@H]2O)C1 ZINC000662614925 412242262 /nfs/dbraw/zinc/24/22/62/412242262.db2.gz CCCWCBDDTIXUTB-NAKRPEOUSA-N 1 0 226.320 0.391 10 0 BCAERO CO[C@@H]1CCCN(C(=O)[C@H]2CC[NH2+]C2)CC1 ZINC000662835089 412314949 /nfs/dbraw/zinc/31/49/49/412314949.db2.gz KZOAISKKSKMJRA-WDEREUQCSA-N 1 0 226.320 0.623 10 0 BCAERO CC[C@H](C)N(CC)C(=O)[C@@H]1C[NH2+]CCOC1 ZINC000662839527 412318849 /nfs/dbraw/zinc/31/88/49/412318849.db2.gz TVIFWAFTQSQFEC-WDEREUQCSA-N 1 0 228.336 0.869 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)N[C@@H](CO)C1CCC1 ZINC000662853957 412324742 /nfs/dbraw/zinc/32/47/42/412324742.db2.gz QYUCTMMRBHSIFE-MNOVXSKESA-N 1 0 228.336 0.637 10 0 BCAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NC/C=C/CO ZINC000662860894 412327786 /nfs/dbraw/zinc/32/77/86/412327786.db2.gz VDVUBOFKFPPBEG-AQHVTNBVSA-N 1 0 212.293 0.039 10 0 BCAERO Cc1cc(C)cc(CNC(=O)[C@H]2C[C@@H](O)C[NH2+]2)c1 ZINC000662864580 412329102 /nfs/dbraw/zinc/32/91/02/412329102.db2.gz TZAAQASFZDVPHL-CHWSQXEVSA-N 1 0 248.326 0.642 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)NCC(C)(F)F ZINC000662898891 412340376 /nfs/dbraw/zinc/34/03/76/412340376.db2.gz SQSVLFUAZMAUFZ-RNFRBKRXSA-N 1 0 206.236 0.613 10 0 BCAERO C[C@]1(C(=O)N2CC[C@@H]3C[C@@H]3C2)CCC[NH2+]1 ZINC000662912453 412343707 /nfs/dbraw/zinc/34/37/07/412343707.db2.gz GKBAHMYSMHMHDI-CKYFFXLPSA-N 1 0 208.305 0.997 10 0 BCAERO COC(=O)c1nc(N[C@@H]2CC[NH2+]C2)sc1C ZINC000420148244 412350693 /nfs/dbraw/zinc/35/06/93/412350693.db2.gz FILWZOSEEWPOAA-SSDOTTSWSA-N 1 0 241.316 1.012 10 0 BCAERO CC[C@]1(C(=O)N2CCCC[C@@H]2CO)CC[NH2+]C1 ZINC000062891022 171710653 /nfs/dbraw/zinc/71/06/53/171710653.db2.gz XSRWOAVVZILHGJ-YPMHNXCESA-N 1 0 240.347 0.750 10 0 BCAERO CCC[NH2+]CCNc1ncc(C)c(C)n1 ZINC000386469285 412357175 /nfs/dbraw/zinc/35/71/75/412357175.db2.gz OPZPVSFUYHQVHK-UHFFFAOYSA-N 1 0 208.309 1.505 10 0 BCAERO CN(C(=O)[C@H]1CCCO1)[C@H](C[NH3+])C(F)(F)F ZINC000662978686 412361526 /nfs/dbraw/zinc/36/15/26/412361526.db2.gz RKKSFOBBEINTCO-RNFRBKRXSA-N 1 0 240.225 0.513 10 0 BCAERO CN(C(=O)[C@H]1CCOC1)[C@@H](C[NH3+])C(F)(F)F ZINC000662978672 412361886 /nfs/dbraw/zinc/36/18/86/412361886.db2.gz RBXIUAYGEURUPU-BQBZGAKWSA-N 1 0 240.225 0.371 10 0 BCAERO C[NH2+]CCOCCNc1ccc(F)cn1 ZINC000630531264 412291858 /nfs/dbraw/zinc/29/18/58/412291858.db2.gz VIQFJGXRHMPFDQ-UHFFFAOYSA-N 1 0 213.256 0.869 10 0 BCAERO C[NH2+][C@H](C)CNc1ncnc2[nH]ccc21 ZINC000420249501 412297725 /nfs/dbraw/zinc/29/77/25/412297725.db2.gz XOOKPZPYZOZFBE-SSDOTTSWSA-N 1 0 205.265 0.978 10 0 BCAERO [NH3+]CCN1CCC(Nc2cc[nH]n2)CC1 ZINC000616619437 412299179 /nfs/dbraw/zinc/29/91/79/412299179.db2.gz JNUXMLHVUVASPC-UHFFFAOYSA-N 1 0 209.297 0.245 10 0 BCAERO [NH3+]CCCOCCNc1ncncc1Cl ZINC000630538369 412299341 /nfs/dbraw/zinc/29/93/41/412299341.db2.gz ZSKGAFCEEUTYHQ-UHFFFAOYSA-N 1 0 230.699 0.907 10 0 BCAERO Cc1cc(C#N)cc(NC[C@H]2C[NH2+]CCCO2)n1 ZINC000389894730 412301904 /nfs/dbraw/zinc/30/19/04/412301904.db2.gz LQBYCFLXKZICFQ-GFCCVEGCSA-N 1 0 246.314 1.052 10 0 BCAERO COc1cc(N2CCO[C@@H]([C@H](C)[NH3+])C2)ncn1 ZINC000132944622 412373643 /nfs/dbraw/zinc/37/36/43/412373643.db2.gz HWIOPOJKEXAYEF-DTWKUNHWSA-N 1 0 238.291 0.038 10 0 BCAERO CCc1cc(N2CCCN(CC[NH3+])CC2)ncn1 ZINC000040764936 171761941 /nfs/dbraw/zinc/76/19/41/171761941.db2.gz IXXRWGBEGFBKNN-UHFFFAOYSA-N 1 0 249.362 0.510 10 0 BCAERO CNC(=O)c1ccc(NCC23CC(C2)C[NH2+]3)nn1 ZINC000663274295 412404569 /nfs/dbraw/zinc/40/45/69/412404569.db2.gz OAAGRJHKISBBFZ-UHFFFAOYSA-N 1 0 247.302 0.000 10 0 BCAERO COc1ccnc(NCC23CC(C2)C[NH2+]3)n1 ZINC000663274308 412404618 /nfs/dbraw/zinc/40/46/18/412404618.db2.gz MRRMMYBCHLYBAO-UHFFFAOYSA-N 1 0 220.276 0.649 10 0 BCAERO CC(C)[C@H]([NH3+])CCNc1nccn2cnnc12 ZINC000663276027 412405220 /nfs/dbraw/zinc/40/52/20/412405220.db2.gz JBNZQHVLGIRNHE-SECBINFHSA-N 1 0 234.307 0.910 10 0 BCAERO CN(C)c1nccc(NCC23CC(C2)C[NH2+]3)n1 ZINC000663274972 412405234 /nfs/dbraw/zinc/40/52/34/412405234.db2.gz XKSQXFHWXOZYCO-UHFFFAOYSA-N 1 0 233.319 0.707 10 0 BCAERO CCCc1nccnc1NC[C@H]1C[NH2+]CCO1 ZINC000663274937 412405761 /nfs/dbraw/zinc/40/57/61/412405761.db2.gz RVILCNKXLJGFHH-SNVBAGLBSA-N 1 0 236.319 0.829 10 0 BCAERO C[NH2+]C[C@@H](C)Nc1nc(C)cc(OC)n1 ZINC000663278169 412407303 /nfs/dbraw/zinc/40/73/03/412407303.db2.gz DCGLTFZTBDJTKQ-MRVPVSSYSA-N 1 0 210.281 0.813 10 0 BCAERO CCc1nccn1C[C@@H]1CC[C@@H](C[NH3+])O1 ZINC000052593062 172024963 /nfs/dbraw/zinc/02/49/63/172024963.db2.gz YVTSUYJZVMHVFC-UWVGGRQHSA-N 1 0 209.293 0.952 10 0 BCAERO CCc1nnc(CN2CCC[C@H]([NH3+])C2)o1 ZINC000041029925 172050458 /nfs/dbraw/zinc/05/04/58/172050458.db2.gz CUEMSVIYDMVKAX-QMMMGPOBSA-N 1 0 210.281 0.555 10 0 BCAERO CCc1noc(CO[C@H]2CCC[NH2+]C2)n1 ZINC000051787204 172084774 /nfs/dbraw/zinc/08/47/74/172084774.db2.gz STJYSEDIBRMBHG-QMMMGPOBSA-N 1 0 211.265 0.901 10 0 BCAERO CCc1noc(CO[C@@H]2CCC[NH2+]C2)n1 ZINC000051787202 172084981 /nfs/dbraw/zinc/08/49/81/172084981.db2.gz STJYSEDIBRMBHG-MRVPVSSYSA-N 1 0 211.265 0.901 10 0 BCAERO CCn1c2nnc(C[NH3+])n2c2ccccc2c1=O ZINC000058824504 172132323 /nfs/dbraw/zinc/13/23/23/172132323.db2.gz AXCJVLNGQPBXGM-UHFFFAOYSA-N 1 0 243.270 0.523 10 0 BCAERO CCn1c(=O)[nH]nc1SC[C@H]1CCCC[NH2+]1 ZINC000061606983 172147224 /nfs/dbraw/zinc/14/72/24/172147224.db2.gz UHTYFCSLZSGQQK-MRVPVSSYSA-N 1 0 242.348 0.826 10 0 BCAERO CCn1c(=O)[nH]nc1SC[C@@H]1CCCC[NH2+]1 ZINC000061606981 172147258 /nfs/dbraw/zinc/14/72/58/172147258.db2.gz UHTYFCSLZSGQQK-QMMMGPOBSA-N 1 0 242.348 0.826 10 0 BCAERO CCn1c(=O)[nH]nc1SC[C@H]1CCC[NH2+]1 ZINC000061606961 172147694 /nfs/dbraw/zinc/14/76/94/172147694.db2.gz JAQUIQJAFMYEDC-SSDOTTSWSA-N 1 0 228.321 0.435 10 0 BCAERO CCn1cc(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cn1 ZINC000172173199 172152054 /nfs/dbraw/zinc/15/20/54/172152054.db2.gz OHMZWVONRLPTHQ-GFCCVEGCSA-N 1 0 248.330 0.823 10 0 BCAERO CCn1cc(C[NH2+][C@H]2CCCNC2=O)cn1 ZINC000050539822 172175906 /nfs/dbraw/zinc/17/59/06/172175906.db2.gz YATGFXFTAYZVJK-JTQLQIEISA-N 1 0 222.292 0.271 10 0 BCAERO CCn1ccc(=O)n(C[C@H]2CCC[NH2+]C2)c1=O ZINC000104288295 172200207 /nfs/dbraw/zinc/20/02/07/172200207.db2.gz PTVQEJQOKDKUFH-JTQLQIEISA-N 1 0 237.303 0.030 10 0 BCAERO CCn1ccnc(O[C@H]2CCC[NH2+]C2)c1=O ZINC000061771815 172213852 /nfs/dbraw/zinc/21/38/52/172213852.db2.gz FLMOLGVVFURWOZ-VIFPVBQESA-N 1 0 223.276 0.394 10 0 BCAERO CCn1cnnc1CNC(=O)[C@H]1CCCC[NH2+]1 ZINC000226390875 172235222 /nfs/dbraw/zinc/23/52/22/172235222.db2.gz WADWAPNZKWPUIY-SECBINFHSA-N 1 0 237.307 0.056 10 0 BCAERO CCn1cnnc1CN1CCC[NH2+]CC1 ZINC000061145964 172235405 /nfs/dbraw/zinc/23/54/05/172235405.db2.gz LYWDSDUBFCDKLF-UHFFFAOYSA-N 1 0 209.297 0.093 10 0 BCAERO CN(C(=O)C1([NH3+])CCCC1)C1CCOCC1 ZINC000037479546 172296512 /nfs/dbraw/zinc/29/65/12/172296512.db2.gz DXCWIOQGCKRGNS-UHFFFAOYSA-N 1 0 226.320 0.895 10 0 BCAERO CN(C(=O)C1(C[NH3+])CCOCC1)C1CCC1 ZINC000127281877 172296684 /nfs/dbraw/zinc/29/66/84/172296684.db2.gz YIBLFBIGHBFMEN-UHFFFAOYSA-N 1 0 226.320 0.753 10 0 BCAERO CN(C(=O)C1CCOCC1)[C@H]1CCC[NH2+]C1 ZINC000037470120 172299585 /nfs/dbraw/zinc/29/95/85/172299585.db2.gz UFINDTSISRLNBA-NSHDSACASA-N 1 0 226.320 0.623 10 0 BCAERO CN(CC(=O)N(C)C1=CCCC1)[C@@H]1CC[NH2+]C1 ZINC000071311044 172308285 /nfs/dbraw/zinc/30/82/85/172308285.db2.gz CPIYLPJZGYAEHA-GFCCVEGCSA-N 1 0 237.347 0.806 10 0 BCAERO CN(C(=O)[C@@H]1CCOC1)[C@H]1CCC[NH2+]C1 ZINC000040941630 172328797 /nfs/dbraw/zinc/32/87/97/172328797.db2.gz AVHCNRFRODPXIV-ZJUUUORDSA-N 1 0 212.293 0.233 10 0 BCAERO CN(C(=O)[C@H]1COc2ccccc2O1)C1C[NH2+]C1 ZINC000090289723 172334321 /nfs/dbraw/zinc/33/43/21/172334321.db2.gz UUOZMXAEXWWTAO-GFCCVEGCSA-N 1 0 248.282 0.257 10 0 BCAERO CN(C(=O)[C@H]1CCOC1)[C@H]1CCC[NH2+]C1 ZINC000040941632 172335004 /nfs/dbraw/zinc/33/50/04/172335004.db2.gz AVHCNRFRODPXIV-UWVGGRQHSA-N 1 0 212.293 0.233 10 0 BCAERO CN(C(=O)c1cc(Cl)c[nH]1)[C@@H]1C[NH2+]C[C@H]1O ZINC000036261497 172337514 /nfs/dbraw/zinc/33/75/14/172337514.db2.gz MSJMUNTXRIPXKF-RKDXNWHRSA-N 1 0 243.694 0.073 10 0 BCAERO CN(C(=O)c1ccc(O)cc1)[C@@H]1CC[NH2+]C1 ZINC000037469747 172340140 /nfs/dbraw/zinc/34/01/40/172340140.db2.gz RORWAXYWNOAKIQ-SNVBAGLBSA-N 1 0 220.272 0.826 10 0 BCAERO CN(C)C(=O)CCN[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000049564818 172359975 /nfs/dbraw/zinc/35/99/75/172359975.db2.gz GXMUNGJCISDJSB-VXGBXAGGSA-N 1 0 239.363 0.681 10 0 BCAERO CN(C)C(=O)CC[NH2+]C1CCC(C(N)=O)CC1 ZINC000038091982 172360951 /nfs/dbraw/zinc/36/09/51/172360951.db2.gz PQVLSZAPDNGEQJ-UHFFFAOYSA-N 1 0 241.335 0.098 10 0 BCAERO CN(C)C(=O)CN(C)[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000037270194 172363001 /nfs/dbraw/zinc/36/30/01/172363001.db2.gz CQWYSMCSXYQEDS-GHMZBOCLSA-N 1 0 227.352 0.524 10 0 BCAERO CN(C)C(=O)CN(C)[C@H]1CCCC[C@@H]1C[NH3+] ZINC000037270196 172363715 /nfs/dbraw/zinc/36/37/15/172363715.db2.gz CQWYSMCSXYQEDS-MNOVXSKESA-N 1 0 227.352 0.524 10 0 BCAERO CN(C)C(=O)COc1cccc(F)c1C[NH3+] ZINC000036307123 172373118 /nfs/dbraw/zinc/37/31/18/172373118.db2.gz NSOLSHMVNUAEBI-UHFFFAOYSA-N 1 0 226.251 0.751 10 0 BCAERO CN(C)C(=O)c1c[nH]nc1[C@@H]1CCC[NH2+]C1 ZINC000098209854 172387228 /nfs/dbraw/zinc/38/72/28/172387228.db2.gz GKTRVPDLRUMFPK-MRVPVSSYSA-N 1 0 222.292 0.579 10 0 BCAERO CN(C)C(=O)c1cc(N2CCC[NH2+]CC2)ccn1 ZINC000035672722 172388523 /nfs/dbraw/zinc/38/85/23/172388523.db2.gz RUMVQOCUIHHXBM-UHFFFAOYSA-N 1 0 248.330 0.583 10 0 BCAERO CN(C)C(=O)c1cncc(OC2CC2)c1N ZINC000095726552 172391569 /nfs/dbraw/zinc/39/15/69/172391569.db2.gz RFLJMCGLYVDARM-UHFFFAOYSA-N 1 0 221.260 0.907 10 0 BCAERO CN(CC(=O)N1CCCC1)[C@@H]1CCC[NH2+]C1 ZINC000042317516 172605210 /nfs/dbraw/zinc/60/52/10/172605210.db2.gz RFMPOVOQWNLDEW-LLVKDONJSA-N 1 0 225.336 0.293 10 0 BCAERO CN(CC1CCC1)S(=O)(=O)C1CC[NH2+]CC1 ZINC000061485638 172657583 /nfs/dbraw/zinc/65/75/83/172657583.db2.gz KISYSOQJWBDIDG-UHFFFAOYSA-N 1 0 246.376 0.800 10 0 BCAERO C[N@H+](CCCn1ccc(N)n1)C[C@@H]1CCCO1 ZINC000071352183 172720457 /nfs/dbraw/zinc/72/04/57/172720457.db2.gz MGXSFGSFNVCXGW-NSHDSACASA-N 1 0 238.335 0.966 10 0 BCAERO CN(C[C@@H]1CCCO1)C(=O)[C@@](C)([NH3+])C1CC1 ZINC000042465912 172811163 /nfs/dbraw/zinc/81/11/63/172811163.db2.gz GGBUSZZURWHORY-JQWIXIFHSA-N 1 0 226.320 0.751 10 0 BCAERO CN(Cc1ccc(C(N)=O)cc1)C(=O)CC[NH3+] ZINC000037806029 172849490 /nfs/dbraw/zinc/84/94/90/172849490.db2.gz KQEODTGLTNZPTI-UHFFFAOYSA-N 1 0 235.287 0.093 10 0 BCAERO CN(Cc1ccccc1)c1nc[nH+]c(NN)c1N ZINC000040662463 172873882 /nfs/dbraw/zinc/87/38/82/172873882.db2.gz QUOKPMCWPIQBSH-UHFFFAOYSA-N 1 0 244.302 0.981 10 0 BCAERO CN(Cc1nnc(C2CC2)o1)[C@@H]1CC[NH2+]C1 ZINC000082160258 172934862 /nfs/dbraw/zinc/93/48/62/172934862.db2.gz XPZIQAQQVSUXOR-SECBINFHSA-N 1 0 222.292 0.741 10 0 BCAERO CN1C(=O)C[C@H](C[NH3+])[C@@H]1c1ccncc1 ZINC000390822005 172965336 /nfs/dbraw/zinc/96/53/36/172965336.db2.gz FHRVACOAZZOVTQ-KOLCDFICSA-N 1 0 205.261 0.560 10 0 BCAERO CN1CC(=O)N(CC[C@@H]2CCC[NH2+]C2)C1=O ZINC000051919850 172974534 /nfs/dbraw/zinc/97/45/34/172974534.db2.gz OCJALBUCGCJRRZ-VIFPVBQESA-N 1 0 225.292 0.270 10 0 BCAERO CN1CCCC[C@@H]1C[NH2+][C@@H]1CCS(=O)(=O)C1 ZINC000044562190 173006024 /nfs/dbraw/zinc/00/60/24/173006024.db2.gz RBHNSQCBLRIBGQ-GHMZBOCLSA-N 1 0 246.376 0.247 10 0 BCAERO C[N@@H+]1CCCC[C@H]1CNCc1nc[nH]n1 ZINC000054243262 173010503 /nfs/dbraw/zinc/01/05/03/173010503.db2.gz DROAETCQAJWCAP-VIFPVBQESA-N 1 0 209.297 0.379 10 0 BCAERO CN1CCC[C@@H]([NH2+]Cc2ccncn2)C1 ZINC000054789759 173020847 /nfs/dbraw/zinc/02/08/47/173020847.db2.gz TVEZYPLYVPKMCZ-LLVKDONJSA-N 1 0 206.293 0.660 10 0 BCAERO C[N@@H+]1CCC[C@@H](OC(=O)n2ccnc2)C1 ZINC000039105744 173022764 /nfs/dbraw/zinc/02/27/64/173022764.db2.gz SVSKWNSDHFBUOJ-SECBINFHSA-N 1 0 209.249 0.962 10 0 BCAERO C[N@@H+]1CCC[C@@H]1CCN1CCO[C@H](CO)C1 ZINC000336667722 173026740 /nfs/dbraw/zinc/02/67/40/173026740.db2.gz GUPFWWUNIXICCB-NEPJUHHUSA-N 1 0 228.336 0.164 10 0 BCAERO CN1CCN(C(=O)[C@]2(C)CC[NH2+]C2)CC1(C)C ZINC000104129835 173070997 /nfs/dbraw/zinc/07/09/97/173070997.db2.gz KHDDOMLLCOJTLJ-CYBMUJFWSA-N 1 0 239.363 0.539 10 0 BCAERO CN1CCN(CCC[C@@H]2CCC[NH2+]2)C1=O ZINC000052885877 173079818 /nfs/dbraw/zinc/07/98/18/173079818.db2.gz NKTLVHIPTNXMMB-JTQLQIEISA-N 1 0 211.309 0.886 10 0 BCAERO CN1CCN(Cc2ccc(C[NH3+])o2)CC1 ZINC000052379342 173086668 /nfs/dbraw/zinc/08/66/68/173086668.db2.gz URCBPJIKENMGKW-UHFFFAOYSA-N 1 0 209.293 0.486 10 0 BCAERO C[NH+]1CCN(c2n[nH]c3ccc(N)cc32)CC1 ZINC000089196608 173095723 /nfs/dbraw/zinc/09/57/23/173095723.db2.gz TXGIJRVKKXLKFA-UHFFFAOYSA-N 1 0 231.303 0.897 10 0 BCAERO CN1CCO[C@@H](C[NH2+]CC(C)(C)C)C1 ZINC000082432903 173102696 /nfs/dbraw/zinc/10/26/96/173102696.db2.gz WAQFPCIAYJNIAW-JTQLQIEISA-N 1 0 200.326 0.953 10 0 BCAERO CN1CCO[C@H](C[NH2+]Cc2ccco2)C1 ZINC000082432932 173107552 /nfs/dbraw/zinc/10/75/52/173107552.db2.gz ZEHJUOVGDMPXFM-LLVKDONJSA-N 1 0 210.277 0.700 10 0 BCAERO CN(C[C@@H]1CC[N@H+](C)C1)C(=O)c1n[nH]cc1N ZINC000071187745 173112435 /nfs/dbraw/zinc/11/24/35/173112435.db2.gz HOPWQTQFMYUDAJ-MRVPVSSYSA-N 1 0 237.307 0.016 10 0 BCAERO C[N@@H+]1CC[C@@H](CNC(=O)c2csc(N)n2)C1 ZINC000055186839 173114165 /nfs/dbraw/zinc/11/41/65/173114165.db2.gz JITFVBDJLKLYLX-ZETCQYMHSA-N 1 0 240.332 0.407 10 0 BCAERO C[N@@H+]1CC[C@@H](CNCc2cncnc2)C1 ZINC000054767889 173118106 /nfs/dbraw/zinc/11/81/06/173118106.db2.gz NJQNBBIJLDFAMN-JTQLQIEISA-N 1 0 206.293 0.518 10 0 BCAERO CN1CC[C@@H](N2CC[NH2+]Cc3ccccc32)C1=O ZINC000071184662 173120095 /nfs/dbraw/zinc/12/00/95/173120095.db2.gz OAUCQIIYQVYXTE-CYBMUJFWSA-N 1 0 245.326 0.827 10 0 BCAERO CN1CC[C@@H]([NH3+])[C@H]1CNC(=O)OC(C)(C)C ZINC000082348639 173120653 /nfs/dbraw/zinc/12/06/53/173120653.db2.gz ULTKJBKKWUIQQU-RKDXNWHRSA-N 1 0 229.324 0.543 10 0 BCAERO C[N@@H+]1CC[C@@H](NC(=O)c2ccc(N)c(F)c2)C1 ZINC000054413380 173121297 /nfs/dbraw/zinc/12/12/97/173121297.db2.gz TYAIWCXAGXLTNF-SECBINFHSA-N 1 0 237.278 0.842 10 0 BCAERO C[N@@H+]1CC[C@@H](NC(=O)Cc2cccc(O)c2)C1 ZINC000042549462 173122480 /nfs/dbraw/zinc/12/24/80/173122480.db2.gz UUFFCAHUDPNRLD-LLVKDONJSA-N 1 0 234.299 0.755 10 0 BCAERO CN1CC[C@@H]([NH2+]CC(=O)Nc2ccccc2)C1 ZINC000042547511 173123345 /nfs/dbraw/zinc/12/33/45/173123345.db2.gz XFZFLZMKKXMUIV-GFCCVEGCSA-N 1 0 233.315 0.919 10 0 BCAERO CN1CC[C@@](C[NH3+])(N2CCSCC2)C1 ZINC000061990124 173134881 /nfs/dbraw/zinc/13/48/81/173134881.db2.gz HDOOJYKVYICFDV-JTQLQIEISA-N 1 0 215.366 0.068 10 0 BCAERO C[N@@H+]1CC[C@@]2(CCCN2c2nnco2)C1 ZINC000038812500 173139453 /nfs/dbraw/zinc/13/94/53/173139453.db2.gz SAWKCHBFYVSXAO-JTQLQIEISA-N 1 0 208.265 0.744 10 0 BCAERO CN1CC[C@H](N2CC[C@H]([NH3+])C(C)(C)C2)C1=O ZINC000304304173 173150590 /nfs/dbraw/zinc/15/05/90/173150590.db2.gz PJNFZMYQYCLSHB-UWVGGRQHSA-N 1 0 225.336 0.276 10 0 BCAERO CN1C[C@H](CC[NH3+])Oc2ncccc2C1=S ZINC000026271447 173192648 /nfs/dbraw/zinc/19/26/48/173192648.db2.gz STSZUFICUXVPMD-QMMMGPOBSA-N 1 0 237.328 0.799 10 0 BCAERO CN1c2cccc(O)c2C[C@@H]1C1=[NH+]CCN1 ZINC000028089632 173208453 /nfs/dbraw/zinc/20/84/53/173208453.db2.gz VBDVEGQPLQWHBH-SNVBAGLBSA-N 1 0 217.272 0.755 10 0 BCAERO CNC(=O)CC[NH2+][C@@H]1CCCC[C@H]1O ZINC000044993838 173260304 /nfs/dbraw/zinc/26/03/04/173260304.db2.gz QTEDICOMMXIZCH-RKDXNWHRSA-N 1 0 200.282 0.016 10 0 BCAERO CNC(=O)CN(C)C(=O)C[C@H]1CCCC[C@@H]1[NH3+] ZINC000055126740 173264773 /nfs/dbraw/zinc/26/47/73/173264773.db2.gz UOYBWHGFVZSSJS-ZJUUUORDSA-N 1 0 241.335 0.098 10 0 BCAERO CNC(=O)CCn1ccc2c1CCC[C@@H]2[NH3+] ZINC000041735463 173264793 /nfs/dbraw/zinc/26/47/93/173264793.db2.gz KNSOPJBAANELLO-JTQLQIEISA-N 1 0 221.304 0.960 10 0 BCAERO CNC(=O)CN(C)C[C@@H](C[NH3+])c1ccccc1 ZINC000035731455 173267052 /nfs/dbraw/zinc/26/70/52/173267052.db2.gz FSFPNFKFEMOLHA-GFCCVEGCSA-N 1 0 235.331 0.407 10 0 BCAERO CNC(=O)CN(C)[C@H](C[NH3+])c1cccc(F)c1 ZINC000042971450 173269432 /nfs/dbraw/zinc/26/94/32/173269432.db2.gz VHZQTEDXKDPIJO-LLVKDONJSA-N 1 0 239.294 0.503 10 0 BCAERO CNC(=O)CN(C)[C@H](C[NH3+])c1ccccc1F ZINC000043043270 173270621 /nfs/dbraw/zinc/27/06/21/173270621.db2.gz RCMIYRWPXJMXRQ-LLVKDONJSA-N 1 0 239.294 0.503 10 0 BCAERO CNC(=O)C[NH2+]C[C@@H]1Cc2ccccc2O1 ZINC000038009974 173277187 /nfs/dbraw/zinc/27/71/87/173277187.db2.gz WGTLTYGNHNKSJY-JTQLQIEISA-N 1 0 220.272 0.326 10 0 BCAERO CNC(=O)C[NH2+][C@@]1(CO)CCC[C@@H](C)C1 ZINC000053126515 173278136 /nfs/dbraw/zinc/27/81/36/173278136.db2.gz FZSOJTQNADZCBF-KOLCDFICSA-N 1 0 214.309 0.263 10 0 BCAERO CNC(=O)C[NH2+][C@H](C)c1ccc(O)cc1 ZINC000037224860 173278459 /nfs/dbraw/zinc/27/84/59/173278459.db2.gz KJKKHFNHTXYKHY-MRVPVSSYSA-N 1 0 208.261 0.789 10 0 BCAERO CNC(=O)COc1cccc(F)c1C[NH3+] ZINC000036307167 173279187 /nfs/dbraw/zinc/27/91/87/173279187.db2.gz QQHKKYNIRUUVSC-UHFFFAOYSA-N 1 0 212.224 0.409 10 0 BCAERO CNC(=O)COc1cccc([C@@H](C)[NH3+])c1 ZINC000019279804 173279271 /nfs/dbraw/zinc/27/92/71/173279271.db2.gz MJGQJNVAPOOVCE-MRVPVSSYSA-N 1 0 208.261 0.831 10 0 BCAERO CNC(=O)Cn1c(C)cc2c1CCC[C@H]2[NH3+] ZINC000041729908 173283927 /nfs/dbraw/zinc/28/39/27/173283927.db2.gz WPXPWKMKGRBEGW-SNVBAGLBSA-N 1 0 221.304 0.879 10 0 BCAERO CNC(=O)[C@@H](C)N(CC[NH3+])Cc1ccccc1 ZINC000038033197 173294454 /nfs/dbraw/zinc/29/44/54/173294454.db2.gz PVULBCUCYFYLQG-LLVKDONJSA-N 1 0 235.331 0.582 10 0 BCAERO CNC(=O)[C@@H](C)[NH2+]C[C@H](O)c1ccccc1F ZINC000042562626 173295261 /nfs/dbraw/zinc/29/52/61/173295261.db2.gz XLJHKFFYAYBYCX-KCJUWKMLSA-N 1 0 240.278 0.583 10 0 BCAERO CNC(=O)[C@@H](C)[NH2+]C[C@H]1CCCCO1 ZINC000042319982 173295334 /nfs/dbraw/zinc/29/53/34/173295334.db2.gz KOCFLKPUNVVTAA-RKDXNWHRSA-N 1 0 200.282 0.280 10 0 BCAERO CNC(=O)[C@@H](C)[NH2+]C[C@@H]1Cc2ccccc2O1 ZINC000038009913 173295358 /nfs/dbraw/zinc/29/53/58/173295358.db2.gz JPQASBPINFPSHD-KOLCDFICSA-N 1 0 234.299 0.714 10 0 BCAERO CNC(=O)[C@@H](C)[NH2+]C[C@@H](O)COC1CCCC1 ZINC000042562530 173295396 /nfs/dbraw/zinc/29/53/96/173295396.db2.gz YUBKHXOAADNWRT-NXEZZACHSA-N 1 0 244.335 0.031 10 0 BCAERO CNC(=O)[C@@H](C)[NH2+]C[C@@H](O)c1ccc(F)cc1 ZINC000042562614 173295448 /nfs/dbraw/zinc/29/54/48/173295448.db2.gz LGMUDRHNQDMXMW-LDYMZIIASA-N 1 0 240.278 0.583 10 0 BCAERO CNC(=O)[C@@H](C)Oc1c(C[NH3+])cccc1OC ZINC000035412959 173295955 /nfs/dbraw/zinc/29/59/55/173295955.db2.gz AHIHMXFOHQQCBX-MRVPVSSYSA-N 1 0 238.287 0.667 10 0 BCAERO CNC(=O)[C@@H]1CCCN1c1ccc(C[NH3+])cn1 ZINC000042390725 173298775 /nfs/dbraw/zinc/29/87/75/173298775.db2.gz WMOJYAJPJVWOPF-JTQLQIEISA-N 1 0 234.303 0.255 10 0 BCAERO CNC(=O)[C@H](C)N(C)c1cc[nH+]cc1N ZINC000042141448 173301763 /nfs/dbraw/zinc/30/17/63/173301763.db2.gz TZGYJWDIKRMWJD-ZETCQYMHSA-N 1 0 208.265 0.235 10 0 BCAERO CNC(=O)[C@H](C)[NH2+]C[C@@H]1Cc2ccccc2O1 ZINC000038009912 173302717 /nfs/dbraw/zinc/30/27/17/173302717.db2.gz JPQASBPINFPSHD-ONGXEEELSA-N 1 0 234.299 0.714 10 0 BCAERO CNC(=O)[C@H](C)[NH2+]Cc1cnc2cc(C)nn2c1 ZINC000070166247 173302904 /nfs/dbraw/zinc/30/29/04/173302904.db2.gz LANCUXBVMZABCQ-VIFPVBQESA-N 1 0 247.302 0.262 10 0 BCAERO CNC(=O)[C@H](C)[NH2+][C@H](C)C(=O)NCCC(C)C ZINC000042563002 173303506 /nfs/dbraw/zinc/30/35/06/173303506.db2.gz RFSZWQQAPGFBSN-VHSXEESVSA-N 1 0 243.351 0.261 10 0 BCAERO CNC(=O)[C@H](C)[NH2+][C@H]1CCCc2c1cnn2C ZINC000042561205 173303754 /nfs/dbraw/zinc/30/37/54/173303754.db2.gz KIEBSYJGXXLDHQ-WPRPVWTQSA-N 1 0 236.319 0.522 10 0 BCAERO CNC(=O)[C@H](C[NH3+])Cc1ccc(F)c(C)c1 ZINC000050544407 173304763 /nfs/dbraw/zinc/30/47/63/173304763.db2.gz JVFNNGAKKBEEGL-JTQLQIEISA-N 1 0 224.279 0.998 10 0 BCAERO CNC(=O)[C@H]([NH2+]Cc1cnoc1C)C(C)C ZINC000309620286 173305617 /nfs/dbraw/zinc/30/56/17/173305617.db2.gz FBCQDUUFDPKWSY-SNVBAGLBSA-N 1 0 225.292 0.843 10 0 BCAERO CNC(=O)[C@H]1CCCCN1[C@@H]1CCCC[C@@H]1[NH3+] ZINC000042424541 173306060 /nfs/dbraw/zinc/30/60/60/173306060.db2.gz ZMDATXPPSOZFLE-QJPTWQEYSA-N 1 0 239.363 0.857 10 0 BCAERO CNC(=O)[C@H]1CCC[N@H+](C[C@H](C)C(=O)OC)C1 ZINC000300028188 173306698 /nfs/dbraw/zinc/30/66/98/173306698.db2.gz ILHOEZUQFGMNJC-UWVGGRQHSA-N 1 0 242.319 0.254 10 0 BCAERO CNC(=O)[C@H]1CCCN1c1cc(C[NH3+])ccn1 ZINC000042390721 173307618 /nfs/dbraw/zinc/30/76/18/173307618.db2.gz ZWXKJWJGSYYXBG-SNVBAGLBSA-N 1 0 234.303 0.255 10 0 BCAERO CNC(=O)[C@H]1CCCN1c1ccc(C[NH3+])cn1 ZINC000042390728 173307949 /nfs/dbraw/zinc/30/79/49/173307949.db2.gz WMOJYAJPJVWOPF-SNVBAGLBSA-N 1 0 234.303 0.255 10 0 BCAERO CNC(=O)c1cc(N(C)C[C@@H](C)C(N)=[NH2+])ccn1 ZINC000042459929 173309622 /nfs/dbraw/zinc/30/96/22/173309622.db2.gz JNEXSAQCNCYGOU-MRVPVSSYSA-N 1 0 249.318 0.449 10 0 BCAERO CNC(=O)c1ccccc1NC(=O)[C@@H]1CCC[NH2+]1 ZINC000019410536 173312318 /nfs/dbraw/zinc/31/23/18/173312318.db2.gz BXUYDDWQPJYVPI-NSHDSACASA-N 1 0 247.298 0.737 10 0 BCAERO C[NH2+]C(C)(C)C(=O)N(C)Cc1nccn1C ZINC000061317635 173317473 /nfs/dbraw/zinc/31/74/73/173317473.db2.gz XGSKEVHSLZJWNJ-UHFFFAOYSA-N 1 0 224.308 0.377 10 0 BCAERO C[NH2+]C(C)(C)C(=O)N(C)C1CCOCC1 ZINC000061300552 173317782 /nfs/dbraw/zinc/31/77/82/173317782.db2.gz BXSAUXPYGOYFKG-UHFFFAOYSA-N 1 0 214.309 0.622 10 0 BCAERO C[NH2+]C(C)(C)C(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000061300026 173318297 /nfs/dbraw/zinc/31/82/97/173318297.db2.gz HOXZRRWHZHMZQB-IUCAKERBSA-N 1 0 214.309 0.620 10 0 BCAERO C[NH2+]C(C)(C)C(=O)NCc1nccs1 ZINC000061318756 173318512 /nfs/dbraw/zinc/31/85/12/173318512.db2.gz HFRJAZZRFJBFNW-UHFFFAOYSA-N 1 0 213.306 0.757 10 0 BCAERO C[NH2+]C(C)(C)C(=O)NCc1ccnc(C)n1 ZINC000061317810 173318479 /nfs/dbraw/zinc/31/84/79/173318479.db2.gz APCVBCQWUJDKQH-UHFFFAOYSA-N 1 0 222.292 0.399 10 0 BCAERO C[NH2+]C(C)(C)CN1CCS(=O)CC1 ZINC000061319725 173318899 /nfs/dbraw/zinc/31/88/99/173318899.db2.gz DQWSHDIXIBKWDY-UHFFFAOYSA-N 1 0 204.339 0.049 10 0 BCAERO C[NH2+]C1CCC(NC(=O)[C@H]2CCOC2)CC1 ZINC000040941586 173322281 /nfs/dbraw/zinc/32/22/81/173322281.db2.gz ITIADELVVHWZPR-WHXUTIOJSA-N 1 0 226.320 0.670 10 0 BCAERO C[NH2+]C1CCC(N2C(=O)CCC2=O)CC1 ZINC000036881181 173322304 /nfs/dbraw/zinc/32/23/04/173322304.db2.gz LLHBACGAUYDWKG-UHFFFAOYSA-N 1 0 210.277 0.666 10 0 BCAERO C[NH2+]C1CCC(NC(=O)c2ccn[nH]2)CC1 ZINC000062775452 173322335 /nfs/dbraw/zinc/32/23/35/173322335.db2.gz JEBBBKFMTKAKDD-UHFFFAOYSA-N 1 0 222.292 0.670 10 0 BCAERO C[NH2+]C1CCC(NS(C)(=O)=O)CC1 ZINC000036880813 173322344 /nfs/dbraw/zinc/32/23/44/173322344.db2.gz LJJBPOGCGGKAQE-UHFFFAOYSA-N 1 0 206.311 0.066 10 0 BCAERO C[NH2+]C1CCN(Cc2ncccn2)CC1 ZINC000054458109 173322752 /nfs/dbraw/zinc/32/27/52/173322752.db2.gz FVBJLJBXTBXVCQ-UHFFFAOYSA-N 1 0 206.293 0.660 10 0 BCAERO C[NH2+]C1CCN(CCn2ccnc2C)CC1 ZINC000049329237 173323124 /nfs/dbraw/zinc/32/31/24/173323124.db2.gz IGGSLVQGUWXOJP-UHFFFAOYSA-N 1 0 222.336 0.875 10 0 BCAERO C[NH2+]CC(=O)N(C)[C@@H](C)C(=O)OC(C)C ZINC000193132767 173325689 /nfs/dbraw/zinc/32/56/89/173325689.db2.gz HVWDLVAZZKGTLH-QMMMGPOBSA-N 1 0 216.281 0.004 10 0 BCAERO C[NH2+]CC(=O)NC[C@@H](c1ccco1)N(C)C ZINC000040805727 173330112 /nfs/dbraw/zinc/33/01/12/173330112.db2.gz HYKOXBNBYMSZQY-VIFPVBQESA-N 1 0 225.292 0.218 10 0 BCAERO C[NH2+]CC(=O)N[C@H](CO)CC(C)(C)C ZINC000193143387 173333115 /nfs/dbraw/zinc/33/31/15/173333115.db2.gz RZLDMBSJJDEKRR-QMMMGPOBSA-N 1 0 202.298 0.119 10 0 BCAERO C[NH2+]CC(=O)Nc1ccc(C(N)=O)c(Cl)c1 ZINC000037046996 173333521 /nfs/dbraw/zinc/33/35/21/173333521.db2.gz CGYFKNMPEAFCPT-UHFFFAOYSA-N 1 0 241.678 0.597 10 0 BCAERO C[NH2+]CC(=O)Nc1ccc(-n2cncn2)c(F)c1 ZINC000037771260 173333978 /nfs/dbraw/zinc/33/39/78/173333978.db2.gz KXTDUQAMCGXLSL-UHFFFAOYSA-N 1 0 249.249 0.564 10 0 BCAERO C[NH2+]CC(=O)Nc1ccccc1[C@H](C)O ZINC000049547327 173334809 /nfs/dbraw/zinc/33/48/09/173334809.db2.gz QNHDRQMZHCGCKI-QMMMGPOBSA-N 1 0 208.261 0.898 10 0 BCAERO C[NH2+]CC1CCN(c2cnccn2)CC1 ZINC000053664038 173338949 /nfs/dbraw/zinc/33/89/49/173338949.db2.gz IIZFEUSYUONEFU-UHFFFAOYSA-N 1 0 206.293 0.912 10 0 BCAERO C[NH2+]CCC(=O)N1CCC([C@H](C)O)CC1 ZINC000234366059 173339467 /nfs/dbraw/zinc/33/94/67/173339467.db2.gz WDCLVVHZHARMFT-VIFPVBQESA-N 1 0 214.309 0.215 10 0 BCAERO C[NH2+]CCC(=O)NCCN1CCc2ccccc21 ZINC000077418186 173339981 /nfs/dbraw/zinc/33/99/81/173339981.db2.gz LBPNWRBIXAMRTL-UHFFFAOYSA-N 1 0 247.342 0.775 10 0 BCAERO C[NH2+]CCC(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000043599559 173340295 /nfs/dbraw/zinc/34/02/95/173340295.db2.gz TVRJIEJNTXTHEC-IUCAKERBSA-N 1 0 200.282 0.232 10 0 BCAERO C[NH2+]CCC(=O)OCc1ccc2[nH]c(=O)[nH]c2c1 ZINC000077426842 173341866 /nfs/dbraw/zinc/34/18/66/173341866.db2.gz ZOCRUVLUKXHIDB-UHFFFAOYSA-N 1 0 249.270 0.509 10 0 BCAERO C[NH2+]CCCC(=O)N[C@H](C)[C@@H]1CCCO1 ZINC000037477727 173344856 /nfs/dbraw/zinc/34/48/56/173344856.db2.gz ZUPWKHJGPIPRKS-ZJUUUORDSA-N 1 0 214.309 0.670 10 0 BCAERO C[NH2+]CCCN1C(=O)NC2(CCCC2)C1=O ZINC000042225221 173347443 /nfs/dbraw/zinc/34/74/43/173347443.db2.gz FNMWJIJLAITRTG-UHFFFAOYSA-N 1 0 225.292 0.461 10 0 BCAERO C[NH2+]CCN1C(=O)NC2(CCCC2)C1=O ZINC000042410116 173354192 /nfs/dbraw/zinc/35/41/92/173354192.db2.gz PDHIODRSJMBZGX-UHFFFAOYSA-N 1 0 211.265 0.070 10 0 BCAERO C[NH2+]CCN1C(=O)C[C@](C)(C(C)C)C1=O ZINC000054244919 173354298 /nfs/dbraw/zinc/35/42/98/173354298.db2.gz FEZNTJIAFNCPAF-LLVKDONJSA-N 1 0 212.293 0.627 10 0 BCAERO C[NH2+]CCN1C(=O)CC2(CCCC2)C1=O ZINC000054244920 173354318 /nfs/dbraw/zinc/35/43/18/173354318.db2.gz CLGJQYWIEMWLJA-UHFFFAOYSA-N 1 0 210.277 0.525 10 0 BCAERO C[NH2+]CCN(Cc1ccccc1)S(C)(=O)=O ZINC000076625070 173354379 /nfs/dbraw/zinc/35/43/79/173354379.db2.gz YSEQSDDBVIDCOD-UHFFFAOYSA-N 1 0 242.344 0.668 10 0 BCAERO C[NH2+]CCN(C)c1nnnn1-c1ccccc1 ZINC000053663738 173354574 /nfs/dbraw/zinc/35/45/74/173354574.db2.gz XZTSLLUMBUPOTN-UHFFFAOYSA-N 1 0 232.291 0.318 10 0 BCAERO C[NH2+]CCN(Cc1cccnc1)S(C)(=O)=O ZINC000076625989 173354652 /nfs/dbraw/zinc/35/46/52/173354652.db2.gz HDJJCUGENFIUFR-UHFFFAOYSA-N 1 0 243.332 0.063 10 0 BCAERO C[NH2+]CCN1CCN(c2nccs2)CC1 ZINC000020072603 173354792 /nfs/dbraw/zinc/35/47/92/173354792.db2.gz MPLSVGWVMJTYGA-UHFFFAOYSA-N 1 0 226.349 0.485 10 0 BCAERO C[NH2+]CCNC(=O)c1ccc2c[nH]nc2c1 ZINC000061670094 173355648 /nfs/dbraw/zinc/35/56/48/173355648.db2.gz RAIMRVZENBFXSH-UHFFFAOYSA-N 1 0 218.260 0.512 10 0 BCAERO C[NH2+]CCOC1=NS(=O)(=O)c2ccccc21 ZINC000051866655 173356686 /nfs/dbraw/zinc/35/66/86/173356686.db2.gz LJPJPLYPAOJWLZ-UHFFFAOYSA-N 1 0 240.284 0.372 10 0 BCAERO C[NH2+]CCOCCc1ccc2c(c1)CC(=O)N2C ZINC000077423643 173357104 /nfs/dbraw/zinc/35/71/04/173357104.db2.gz QLBFRKOJYJDFME-UHFFFAOYSA-N 1 0 248.326 0.984 10 0 BCAERO C[NH2+]CCS(=O)(=O)Cc1ccc(F)cc1 ZINC000058827205 173357507 /nfs/dbraw/zinc/35/75/07/173357507.db2.gz SDGNSMXIRVEXBZ-UHFFFAOYSA-N 1 0 231.292 0.960 10 0 BCAERO C[NH2+]CCS(=O)(=O)Cc1ccccc1F ZINC000058827212 173357525 /nfs/dbraw/zinc/35/75/25/173357525.db2.gz DAKQUFWINYOEHT-UHFFFAOYSA-N 1 0 231.292 0.960 10 0 BCAERO C[NH2+]CCS(=O)(=O)N1CCCCCCC1 ZINC000049630083 173357649 /nfs/dbraw/zinc/35/76/49/173357649.db2.gz XEKUFHJCEOGZCU-UHFFFAOYSA-N 1 0 234.365 0.802 10 0 BCAERO C[NH2+]CC[C@@H](O)CNC(=O)OC(C)(C)C ZINC000039094074 173358226 /nfs/dbraw/zinc/35/82/26/173358226.db2.gz QRIOSGZHERBFMA-MRVPVSSYSA-N 1 0 218.297 0.482 10 0 BCAERO C[NH2+]C[C@@H](C(C)C)N1CCOC[C@@H]1C ZINC000052475675 173362044 /nfs/dbraw/zinc/36/20/44/173362044.db2.gz AFIUZANQWLISJF-QWRGUYRKSA-N 1 0 200.326 0.951 10 0 BCAERO C[NH2+]CCc1nnc(C2CCOCC2)o1 ZINC000061673880 173362124 /nfs/dbraw/zinc/36/21/24/173362124.db2.gz GLBLJHPGKIOKJH-UHFFFAOYSA-N 1 0 211.265 0.726 10 0 BCAERO C[NH2+]CCc1noc(C2CCOCC2)n1 ZINC000061673826 173362135 /nfs/dbraw/zinc/36/21/35/173362135.db2.gz SYJPBHABWKSQPD-UHFFFAOYSA-N 1 0 211.265 0.726 10 0 BCAERO C[NH2+]C[C@@H](C)C(=O)NCC[S@](=O)C(C)(C)C ZINC000237198043 173362359 /nfs/dbraw/zinc/36/23/59/173362359.db2.gz ILRPTVZJGKMWDV-ABKXIKBNSA-N 1 0 248.392 0.505 10 0 BCAERO C[NH2+]C[C@@H](O)COc1ccccc1NC(C)=O ZINC000019864841 173365560 /nfs/dbraw/zinc/36/55/60/173365560.db2.gz SPDSACVWKKYHKW-SNVBAGLBSA-N 1 0 238.287 0.604 10 0 BCAERO C[NH2+]C[C@@H](O)COCc1cccc(OC)c1 ZINC000019865030 173365734 /nfs/dbraw/zinc/36/57/34/173365734.db2.gz FWWREJHYPJEMDJ-LLVKDONJSA-N 1 0 225.288 0.792 10 0 BCAERO C[NH2+]C[C@@H]1CCCN(C(=O)c2cnns2)C1 ZINC000040594004 173367752 /nfs/dbraw/zinc/36/77/52/173367752.db2.gz SIZIYFUHMRMRNC-QMMMGPOBSA-N 1 0 240.332 0.610 10 0 BCAERO C[NH2+]C[C@@H]1CCCN(C(=O)NC2CC2)C1 ZINC000054457667 173368192 /nfs/dbraw/zinc/36/81/92/173368192.db2.gz VZWWXVHHLOPRPE-VIFPVBQESA-N 1 0 211.309 0.790 10 0 BCAERO C[NH2+]C[C@@H]1CCN(C2CCS(=O)(=O)CC2)C1 ZINC000053031296 173370084 /nfs/dbraw/zinc/37/00/84/173370084.db2.gz BMSHIYBDXMJCNB-JTQLQIEISA-N 1 0 246.376 0.105 10 0 BCAERO C[NH2+]C[C@@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000071148183 173370771 /nfs/dbraw/zinc/37/07/71/173370771.db2.gz JHRPGCSHBLBBFT-JTQLQIEISA-N 1 0 233.315 0.831 10 0 BCAERO C[NH2+]C[C@@](C)(O)c1ccc2c(c1)OCCO2 ZINC000011803618 173373580 /nfs/dbraw/zinc/37/35/80/173373580.db2.gz NUIUYQNFKFZAJZ-GFCCVEGCSA-N 1 0 223.272 0.885 10 0 BCAERO C[NH2+]C[C@H](C)Oc1nc2c(cc1C(N)=O)CCC2 ZINC000051867930 173376054 /nfs/dbraw/zinc/37/60/54/173376054.db2.gz MMNMHYZARWRDIS-QMMMGPOBSA-N 1 0 249.314 0.656 10 0 BCAERO C[NH2+]C[C@H]1CCCN1c1ccc(C)nn1 ZINC000053703986 173381014 /nfs/dbraw/zinc/38/10/14/173381014.db2.gz JPIJUHOZVAHMOD-SNVBAGLBSA-N 1 0 206.293 0.973 10 0 BCAERO C[NH2+]C[C@H]1CN(Cc2ccco2)CCO1 ZINC000071512207 173382507 /nfs/dbraw/zinc/38/25/07/173382507.db2.gz IPNAFEVRMBCCAC-NSHDSACASA-N 1 0 210.277 0.700 10 0 BCAERO C[NH2+]C[C@H]1CC[C@H](Cn2cc(C)cn2)O1 ZINC000052576975 173382532 /nfs/dbraw/zinc/38/25/32/173382532.db2.gz BAQQKCNECSNFHH-GHMZBOCLSA-N 1 0 209.293 0.959 10 0 BCAERO C[NH2+]C[C@H]1CS(=O)(=O)c2ccccc21 ZINC000053301945 173382940 /nfs/dbraw/zinc/38/29/40/173382940.db2.gz IQVBWDLGJSDCLF-QMMMGPOBSA-N 1 0 211.286 0.777 10 0 BCAERO C[NH2+]C[C@]1(Cc2cnn(C)c2)CCCOC1 ZINC000062193624 173383835 /nfs/dbraw/zinc/38/38/35/173383835.db2.gz UGOXPKQDGQLJCA-GFCCVEGCSA-N 1 0 223.320 0.979 10 0 BCAERO C[NH2+]Cc1c(C)nn(C)c1-n1cccn1 ZINC000034825184 173384312 /nfs/dbraw/zinc/38/43/12/173384312.db2.gz IKIVBCIHCYQXDU-UHFFFAOYSA-N 1 0 205.265 0.634 10 0 BCAERO C[NH2+]Cc1c(C)nn(C)c1N1CC[C@H](O)C1 ZINC000061711266 173385074 /nfs/dbraw/zinc/38/50/74/173385074.db2.gz BBHOTTXTGYEGAE-VIFPVBQESA-N 1 0 224.308 0.019 10 0 BCAERO C[NH2+]Cc1cc(CN2CCOCC2)on1 ZINC000016943514 173387293 /nfs/dbraw/zinc/38/72/93/173387293.db2.gz TUIVAKWCJBEQKJ-UHFFFAOYSA-N 1 0 211.265 0.226 10 0 BCAERO C[NH2+]Cc1coc(CN2CCOCC2)c1 ZINC000052377850 173393582 /nfs/dbraw/zinc/39/35/82/173393582.db2.gz GECRQPOPRDYIMB-UHFFFAOYSA-N 1 0 210.277 0.831 10 0 BCAERO C[NH2+]Cc1nnnn1-c1cccc(F)c1C ZINC000054748297 173398274 /nfs/dbraw/zinc/39/82/74/173398274.db2.gz MKUFGDIBRRIOBM-UHFFFAOYSA-N 1 0 221.239 0.829 10 0 BCAERO C[NH2+]Cc1nnnn1[C@@H]1CCOc2ccccc21 ZINC000054746700 173398451 /nfs/dbraw/zinc/39/84/51/173398451.db2.gz QGZDFZRPMPFDJA-SNVBAGLBSA-N 1 0 245.286 0.764 10 0 BCAERO C[NH2+]Cc1nnnn1[C@H](C)[C@@H]1CCCO1 ZINC000054746126 173398655 /nfs/dbraw/zinc/39/86/55/173398655.db2.gz SVZMVUWJBNJPMB-SFYZADRCSA-N 1 0 211.269 0.133 10 0 BCAERO C[NH2+]Cc1nnnn1[C@@H](C)[C@H]1CCCO1 ZINC000054746128 173398727 /nfs/dbraw/zinc/39/87/27/173398727.db2.gz SVZMVUWJBNJPMB-JGVFFNPUSA-N 1 0 211.269 0.133 10 0 BCAERO C[NH2+]Cc1nnnn1-c1ccc(F)cc1F ZINC000054744936 173398751 /nfs/dbraw/zinc/39/87/51/173398751.db2.gz QJOQXURFPMJCHU-UHFFFAOYSA-N 1 0 225.202 0.660 10 0 BCAERO C[NH2+]Cc1nnnn1-c1cc(OC)ccc1OC ZINC000054744876 173398827 /nfs/dbraw/zinc/39/88/27/173398827.db2.gz YLKRLKAGEQUWCY-UHFFFAOYSA-N 1 0 249.274 0.399 10 0 BCAERO C[NH2+][C@@H]1CCCN(CC(=O)Nc2ncccn2)C1 ZINC000053204110 173433811 /nfs/dbraw/zinc/43/38/11/173433811.db2.gz AGKRFURQIVPPSV-SNVBAGLBSA-N 1 0 249.318 0.099 10 0 BCAERO C[NH2+][C@H](C)CNC(=O)C[C@H]1CCCO1 ZINC000234428162 173446180 /nfs/dbraw/zinc/44/61/80/173446180.db2.gz CXHFREQDFRLYSM-RKDXNWHRSA-N 1 0 200.282 0.280 10 0 BCAERO C[NH2+][C@H]1CCCN(C(=O)c2cn[nH]c2)C1 ZINC000053202674 173461081 /nfs/dbraw/zinc/46/10/81/173461081.db2.gz BJTFPMRDMGSEPE-VIFPVBQESA-N 1 0 208.265 0.234 10 0 BCAERO C[NH2+][C@H]1CCCN(C2CCS(=O)(=O)CC2)C1 ZINC000053201905 173461529 /nfs/dbraw/zinc/46/15/29/173461529.db2.gz DKOWDZNBYOFIIS-JTQLQIEISA-N 1 0 246.376 0.247 10 0 BCAERO C[NH2+][C@H]1CCC[C@@H]1CCS(C)(=O)=O ZINC000042398325 173462312 /nfs/dbraw/zinc/46/23/12/173462312.db2.gz INPLWRQFXDJVDG-BDAKNGLRSA-N 1 0 205.323 0.809 10 0 BCAERO C[NH2+][C@H]1CCN(Cc2ccnc(C)n2)C1=O ZINC000044994843 173465811 /nfs/dbraw/zinc/46/58/11/173465811.db2.gz VDAQGLZARNUETB-JTQLQIEISA-N 1 0 220.276 0.105 10 0 BCAERO COC(=O)CC[N@@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000116310642 173555806 /nfs/dbraw/zinc/55/58/06/173555806.db2.gz WXGIRWODPCXBRD-SNVBAGLBSA-N 1 0 237.303 0.773 10 0 BCAERO COC(=O)CCN1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000070078112 173556884 /nfs/dbraw/zinc/55/68/84/173556884.db2.gz APEQNUQKXYEKRF-RKDXNWHRSA-N 1 0 200.282 0.232 10 0 BCAERO COC(=O)CC[NH2+]Cc1ccccc1C(N)=O ZINC000037753071 173561891 /nfs/dbraw/zinc/56/18/91/173561891.db2.gz NQHMWLOJHFSWLW-UHFFFAOYSA-N 1 0 236.271 0.438 10 0 BCAERO COC(=O)C[C@H](C)[NH2+][C@@H](C)CN1CCOCC1 ZINC000049504688 173633747 /nfs/dbraw/zinc/63/37/47/173633747.db2.gz NWNMCHKWAWQLEC-QWRGUYRKSA-N 1 0 244.335 0.248 10 0 BCAERO COC(=O)[C@@H](NC(=O)[C@H]1CCC[NH2+]C1)C(C)C ZINC000037028512 173708720 /nfs/dbraw/zinc/70/87/20/173708720.db2.gz TZOFNDQCHULXRV-UWVGGRQHSA-N 1 0 242.319 0.300 10 0 BCAERO COC(=O)[C@@H]1CCO[C@H]1C1CC[NH2+]CC1 ZINC000238856362 173731186 /nfs/dbraw/zinc/73/11/86/173731186.db2.gz VTUVNQWOJMZUOZ-ZJUUUORDSA-N 1 0 213.277 0.564 10 0 BCAERO COC(=O)c1cccc(CC[NH3+])c1OC ZINC000066054801 173893538 /nfs/dbraw/zinc/89/35/38/173893538.db2.gz DZSGUGLNULRYEW-UHFFFAOYSA-N 1 0 209.245 0.983 10 0 BCAERO COC(C)(C)CC[N@@H+]1CCC[C@](O)(C(N)=O)C1 ZINC000310104550 173935901 /nfs/dbraw/zinc/93/59/01/173935901.db2.gz ZMOKCUYDYIVZCC-GFCCVEGCSA-N 1 0 244.335 0.114 10 0 BCAERO COC(C)(C)C[C@@H](C)[NH2+][C@H]1CCS(=O)(=O)C1 ZINC000034963685 173946986 /nfs/dbraw/zinc/94/69/86/173946986.db2.gz GDELPGBWQLAXRP-ZJUUUORDSA-N 1 0 249.376 0.967 10 0 BCAERO COC1CCN(C(=O)CCC[NH3+])CC1 ZINC000037266792 174025501 /nfs/dbraw/zinc/02/55/01/174025501.db2.gz JUZDVPAKCXBJHF-UHFFFAOYSA-N 1 0 200.282 0.363 10 0 BCAERO COC1CCN(CC[NH2+]C[C@H]2CCOC2)CC1 ZINC000053380391 174028601 /nfs/dbraw/zinc/02/86/01/174028601.db2.gz GHWABZCWDZWZQZ-GFCCVEGCSA-N 1 0 242.363 0.723 10 0 BCAERO COC1CC[NH+]([C@H](CN)[C@@H]2CCOC2)CC1 ZINC000037265804 174030296 /nfs/dbraw/zinc/03/02/96/174030296.db2.gz JZQHHJAEMOMHAK-ZYHUDNBSSA-N 1 0 228.336 0.461 10 0 BCAERO COCC(=O)N1CC(C)(C)[NH2+]C[C@@H]1C ZINC000062568563 174040137 /nfs/dbraw/zinc/04/01/37/174040137.db2.gz SAWVKHPVDLOKIG-QMMMGPOBSA-N 1 0 200.282 0.232 10 0 BCAERO COCC(=O)N1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC000033426526 174041505 /nfs/dbraw/zinc/04/15/05/174041505.db2.gz ZBOQQDXNPUAVGS-GFCCVEGCSA-N 1 0 226.320 0.625 10 0 BCAERO COCC(=O)N1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000051358010 174041581 /nfs/dbraw/zinc/04/15/81/174041581.db2.gz XVDUKAWXKLQTMK-NXEZZACHSA-N 1 0 212.293 0.376 10 0 BCAERO COCC(=O)N1CCC[C@]2(CCC[NH2+]C2)C1 ZINC000033426527 174043082 /nfs/dbraw/zinc/04/30/82/174043082.db2.gz ZBOQQDXNPUAVGS-LBPRGKRZSA-N 1 0 226.320 0.625 10 0 BCAERO COCC(=O)N1C[C@@H](C)[C@@H]([NH+](C)C)C1 ZINC000089710198 174045238 /nfs/dbraw/zinc/04/52/38/174045238.db2.gz MZXDMHJJWZZNQT-BDAKNGLRSA-N 1 0 200.282 0.041 10 0 BCAERO COCC(=O)N1C[C@H](C)[NH2+]CC1(C)C ZINC000062568587 174045744 /nfs/dbraw/zinc/04/57/44/174045744.db2.gz XULLYCMRSNPDCK-QMMMGPOBSA-N 1 0 200.282 0.232 10 0 BCAERO COCC(=O)NC[C@H]1CC[C@H](C)[NH2+]C1 ZINC000062036716 174050401 /nfs/dbraw/zinc/05/04/01/174050401.db2.gz DHKWHZUAPXZUAX-IUCAKERBSA-N 1 0 200.282 0.137 10 0 BCAERO COCC(C)(C)NC(=O)[C@H]1CCC[NH2+][C@@H]1C ZINC000125489171 174080733 /nfs/dbraw/zinc/08/07/33/174080733.db2.gz YLBXODRKOFKLOF-ZJUUUORDSA-N 1 0 228.336 0.916 10 0 BCAERO COCC(C)(C)NC(=O)[C@@H](C)C1C[NH2+]C1 ZINC000129379438 174080953 /nfs/dbraw/zinc/08/09/53/174080953.db2.gz LOZHRDMNYSUVOO-QMMMGPOBSA-N 1 0 214.309 0.383 10 0 BCAERO COCCCC(=O)N1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000234667941 174162289 /nfs/dbraw/zinc/16/22/89/174162289.db2.gz VARITDJXTBTOQG-GHMZBOCLSA-N 1 0 228.336 0.999 10 0 BCAERO COCCCCN1CCO[C@H](C[NH+](C)C)C1 ZINC000117880798 174191139 /nfs/dbraw/zinc/19/11/39/174191139.db2.gz LMHYLLOHZVVLCA-GFCCVEGCSA-N 1 0 230.352 0.675 10 0 BCAERO COCCCCN1CCO[C@@H](C[NH+](C)C)C1 ZINC000117880800 174192015 /nfs/dbraw/zinc/19/20/15/174192015.db2.gz LMHYLLOHZVVLCA-LBPRGKRZSA-N 1 0 230.352 0.675 10 0 BCAERO COCCCC[N@@H+]1C[C@H](OC)C[C@H]1CO ZINC000308836572 174196619 /nfs/dbraw/zinc/19/66/19/174196619.db2.gz LPFATVRRMFDTFC-WDEREUQCSA-N 1 0 217.309 0.495 10 0 BCAERO COCCCC[NH2+]CC(=O)NC1CCOCC1 ZINC000062768776 174200704 /nfs/dbraw/zinc/20/07/04/174200704.db2.gz YZOIRWQFCUZROD-UHFFFAOYSA-N 1 0 244.335 0.298 10 0 BCAERO COCCCC[NH2+][C@@H]1CCC(=O)N[C@H]1C ZINC000336754006 174202785 /nfs/dbraw/zinc/20/27/85/174202785.db2.gz HFHPMURLNDHDJV-VHSXEESVSA-N 1 0 214.309 0.670 10 0 BCAERO COCCCN(C)C(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000062034722 174214666 /nfs/dbraw/zinc/21/46/66/174214666.db2.gz UHKDWESDAPLWMD-QWRGUYRKSA-N 1 0 228.336 0.999 10 0 BCAERO COCCCN(CCOC)[C@@H]1COCC[C@@H]1[NH3+] ZINC000042421844 174225866 /nfs/dbraw/zinc/22/58/66/174225866.db2.gz ROSIEVHRJVXZPR-NWDGAFQWSA-N 1 0 246.351 0.088 10 0 BCAERO COCCCN1C[C@H](CC[NH3+])CC1=O ZINC000077296882 174235329 /nfs/dbraw/zinc/23/53/29/174235329.db2.gz HNEFNZUBBWCPTR-SECBINFHSA-N 1 0 200.282 0.220 10 0 BCAERO COCCCNC(=O)[C@H](C)N(C)[C@@H](C)CC[NH3+] ZINC000063086839 174243349 /nfs/dbraw/zinc/24/33/49/174243349.db2.gz DMWBSTGGMHQVKZ-QWRGUYRKSA-N 1 0 245.367 0.197 10 0 BCAERO COCCC[NH2+]Cc1csc(N)n1 ZINC000098123845 174248610 /nfs/dbraw/zinc/24/86/10/174248610.db2.gz PMMSRRUHPJKDLQ-UHFFFAOYSA-N 1 0 201.295 0.851 10 0 BCAERO COCCCO[C@@H]1CC2(CC[C@@H]1[NH3+])OCCO2 ZINC000037747089 174256362 /nfs/dbraw/zinc/25/63/62/174256362.db2.gz GJCZOUDQQCSHJB-WDEREUQCSA-N 1 0 245.319 0.662 10 0 BCAERO COCCN(C(=O)[C@@H]1CCC[NH2+]1)[C@@H](C)COC ZINC000042610135 174268282 /nfs/dbraw/zinc/26/82/82/174268282.db2.gz JSQCNVQDSFOFJB-QWRGUYRKSA-N 1 0 244.335 0.248 10 0 BCAERO COCCN(C(=O)[C@H]([NH3+])C(C)C)[C@@H](C)COC ZINC000042610183 174269107 /nfs/dbraw/zinc/26/91/07/174269107.db2.gz YUPFVGZPBAKWPD-WDEREUQCSA-N 1 0 246.351 0.480 10 0 BCAERO COCCN(C)C(=O)[C@@H]1[NH2+]CCC[C@H]1C ZINC000051793454 174272454 /nfs/dbraw/zinc/27/24/54/174272454.db2.gz BTEREJQEODLBAS-NXEZZACHSA-N 1 0 214.309 0.479 10 0 BCAERO COCCN(C)CC[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000061377624 174277568 /nfs/dbraw/zinc/27/75/68/174277568.db2.gz QCJPTRPEKRRPGH-CYBMUJFWSA-N 1 0 243.395 0.496 10 0 BCAERO COCCN([C@H](C[NH3+])C1CCOCC1)C1CC1 ZINC000052177685 174284707 /nfs/dbraw/zinc/28/47/07/174284707.db2.gz DOUMQGPKFZBWMG-CYBMUJFWSA-N 1 0 242.363 0.851 10 0 BCAERO COCCN([C@H](C[NH3+])[C@@H]1CCCOC1)C1CC1 ZINC000104307314 174285091 /nfs/dbraw/zinc/28/50/91/174285091.db2.gz KAJRRALHAOCLOV-DGCLKSJQSA-N 1 0 242.363 0.851 10 0 BCAERO COCCN(CC(C)C)C(=O)n1cc[n+](C)c1 ZINC000042370580 174286813 /nfs/dbraw/zinc/28/68/13/174286813.db2.gz LATUYOPHYUVMPR-UHFFFAOYSA-N 1 0 240.327 0.885 10 0 BCAERO COCC[NH+](CCC(=O)OC)CCC(=O)OC ZINC000041298929 174289219 /nfs/dbraw/zinc/28/92/19/174289219.db2.gz IGKVCDVHPHVMFY-UHFFFAOYSA-N 1 0 247.291 0.061 10 0 BCAERO COCCN(CC[NH2+][C@@H](C)COC)CCOC ZINC000053386495 174291814 /nfs/dbraw/zinc/29/18/14/174291814.db2.gz CUHDRTMHWBOUEO-LBPRGKRZSA-N 1 0 248.367 0.206 10 0 BCAERO COCCN(CCOC)C(=O)[C@](C)([NH3+])C1CC1 ZINC000037614583 174295729 /nfs/dbraw/zinc/29/57/29/174295729.db2.gz UGWKDZZTTSVYKE-GFCCVEGCSA-N 1 0 244.335 0.235 10 0 BCAERO COCCN(CCOC)CC[C@H]1CCC[NH2+]1 ZINC000042443018 174295773 /nfs/dbraw/zinc/29/57/73/174295773.db2.gz TUGBBSKLSDMTFW-GFCCVEGCSA-N 1 0 230.352 0.723 10 0 BCAERO COCCN(CCOC)C(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000097093209 174296186 /nfs/dbraw/zinc/29/61/86/174296186.db2.gz NPZVKVZQTFKDIC-WDEREUQCSA-N 1 0 244.335 0.235 10 0 BCAERO COCCN(Cc1cccc(F)c1)C(=O)C[NH3+] ZINC000076621860 174299840 /nfs/dbraw/zinc/29/98/40/174299840.db2.gz XUCAZQCMSRFCHB-UHFFFAOYSA-N 1 0 240.278 0.759 10 0 BCAERO COCCN(Cc1cccc(C)c1)C(=O)C[NH3+] ZINC000032090052 174299977 /nfs/dbraw/zinc/29/99/77/174299977.db2.gz KCXTUGMLJOWAOT-UHFFFAOYSA-N 1 0 236.315 0.929 10 0 BCAERO COCCN(Cc1ccccc1F)C(=O)C[NH3+] ZINC000032090366 174300242 /nfs/dbraw/zinc/30/02/42/174300242.db2.gz NMLAEZIJIXTYPD-UHFFFAOYSA-N 1 0 240.278 0.759 10 0 BCAERO COCC[N@@H+]1CCN(Cc2cocn2)C[C@H]1C ZINC000191941438 174310288 /nfs/dbraw/zinc/31/02/88/174310288.db2.gz ZXGQQEDYMYAJOK-LLVKDONJSA-N 1 0 239.319 0.827 10 0 BCAERO COCC[N@@H+]1CCN(Cc2ncc[nH]2)C[C@@H]1C ZINC000111228011 174310433 /nfs/dbraw/zinc/31/04/33/174310433.db2.gz TXNLDAVMWDPPFC-NSHDSACASA-N 1 0 238.335 0.562 10 0 BCAERO COCCN1CC[C@H]([NH2+][C@@H]2CCO[C@H]2C)C1 ZINC000348153325 174314916 /nfs/dbraw/zinc/31/49/16/174314916.db2.gz SKZDZWZBBPYAHC-SDDRHHMPSA-N 1 0 228.336 0.474 10 0 BCAERO COCCN1CC[C@H]([NH2+][C@H]2CCO[C@H]2C)C1 ZINC000348153326 174316234 /nfs/dbraw/zinc/31/62/34/174316234.db2.gz SKZDZWZBBPYAHC-SRVKXCTJSA-N 1 0 228.336 0.474 10 0 BCAERO COCCNC(=O)[C@@H](C)[NH2+]CC1CCOCC1 ZINC000104193742 174325945 /nfs/dbraw/zinc/32/59/45/174325945.db2.gz VSXLUFGYSNKTKS-SNVBAGLBSA-N 1 0 244.335 0.154 10 0 BCAERO COCCNC(=O)[C@H](C)[NH2+][C@@H]1CCC[C@@H]1OC ZINC000050373644 174326442 /nfs/dbraw/zinc/32/64/42/174326442.db2.gz IMEBTAGYAUUKNP-AXFHLTTASA-N 1 0 244.335 0.295 10 0 BCAERO COCCNC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000035735707 174326615 /nfs/dbraw/zinc/32/66/15/174326615.db2.gz NHODVXMBMVFWHX-DCAQKATOSA-N 1 0 244.335 0.295 10 0 BCAERO COCC[NH2+]CCN(C)c1cc(C)nc(C)n1 ZINC000053705878 174332067 /nfs/dbraw/zinc/33/20/67/174332067.db2.gz GKVKLWQYYCWACU-UHFFFAOYSA-N 1 0 238.335 0.766 10 0 BCAERO COCC[NH2+]C[C@@H](O)COc1ccc(F)cc1 ZINC000032100979 174333507 /nfs/dbraw/zinc/33/35/07/174333507.db2.gz WMASSDRSIPWAGG-LLVKDONJSA-N 1 0 243.278 0.801 10 0 BCAERO COCC[NH2+]C[C@@H]1CCCN1c1cccnn1 ZINC000053697901 174335032 /nfs/dbraw/zinc/33/50/32/174335032.db2.gz LVNJIDYBSNNBSO-NSHDSACASA-N 1 0 236.319 0.681 10 0 BCAERO COCCOCCC[NH2+]Cc1cnn(C)c1C ZINC000093649364 174351135 /nfs/dbraw/zinc/35/11/35/174351135.db2.gz OWBMRJJGMPUHNT-UHFFFAOYSA-N 1 0 241.335 0.871 10 0 BCAERO COCCOCCC[NH2+]Cc1ccnc(C)n1 ZINC000054790166 174351241 /nfs/dbraw/zinc/35/12/41/174351241.db2.gz FBVMUNCXMHQFLN-UHFFFAOYSA-N 1 0 239.319 0.928 10 0 BCAERO COCCOCCNC(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000055089752 174356560 /nfs/dbraw/zinc/35/65/60/174356560.db2.gz QMRGSHQIQOLTEZ-MNOVXSKESA-N 1 0 244.335 0.283 10 0 BCAERO COCCO[C@@H]1CC2(CC[C@H]1[NH3+])OCCO2 ZINC000019279377 174365439 /nfs/dbraw/zinc/36/54/39/174365439.db2.gz HBBRYJHUNWQGKT-NXEZZACHSA-N 1 0 231.292 0.272 10 0 BCAERO COCCOc1ccc([C@@](C)(O)C[NH3+])cc1 ZINC000032015001 174368751 /nfs/dbraw/zinc/36/87/51/174368751.db2.gz HVOBPHOQJUMTHU-LBPRGKRZSA-N 1 0 225.288 0.878 10 0 BCAERO COC[C@@H](C)NC(=O)C[NH2+]C[C@@H]1CCCOC1 ZINC000049290840 174452913 /nfs/dbraw/zinc/45/29/13/174452913.db2.gz BETCXGCJHFARQH-MNOVXSKESA-N 1 0 244.335 0.154 10 0 BCAERO COC[C@H](C)CNC(=O)[C@H](C)C1C[NH2+]C1 ZINC000129204548 174531933 /nfs/dbraw/zinc/53/19/33/174531933.db2.gz VRFQFMHAKVUGHS-RKDXNWHRSA-N 1 0 214.309 0.241 10 0 BCAERO COC[C@H](C)[NH2+]CCN(C)C[C@@H]1CCCOC1 ZINC000104201247 174547617 /nfs/dbraw/zinc/54/76/17/174547617.db2.gz XKPQPSVMGICHCL-STQMWFEESA-N 1 0 244.379 0.969 10 0 BCAERO COC[C@H]([NH3+])Cc1nc(-c2ccccn2)no1 ZINC000104060313 174575380 /nfs/dbraw/zinc/57/53/80/174575380.db2.gz OCRLYSJFJXJUJC-MRVPVSSYSA-N 1 0 234.259 0.648 10 0 BCAERO CC(C)(C)[C@@H](O)C[NH2+]C[C@H](O)Cn1cccn1 ZINC000324538416 487628687 /nfs/dbraw/zinc/62/86/87/487628687.db2.gz REDZKEWPNIBXCA-QWRGUYRKSA-N 1 0 241.335 0.241 10 0 BCAERO CO[C@@H]1C[NH2+][C@@H](C(=O)N(C)[C@@H](C)C(C)C)C1 ZINC000042276830 174769113 /nfs/dbraw/zinc/76/91/13/174769113.db2.gz LBYGGQFKHWTPLC-GARJFASQSA-N 1 0 228.336 0.866 10 0 BCAERO CO[C@H](C)C[NH2+][C@H]1CCC(=O)N[C@@H]1C ZINC000308574693 174837428 /nfs/dbraw/zinc/83/74/28/174837428.db2.gz DAVALQLTJUYYJK-HLTSFMKQSA-N 1 0 200.282 0.278 10 0 BCAERO CC(=O)N[C@@H]1CCCN(C(=O)C[NH2+]C(C)C)C1 ZINC000037815273 487629330 /nfs/dbraw/zinc/62/93/30/487629330.db2.gz YFSDJMDIPURVQM-LLVKDONJSA-N 1 0 241.335 0.112 10 0 BCAERO CO[C@H]1CCC[C@H]1[NH2+]C1CCS(=O)(=O)CC1 ZINC000050370864 174883901 /nfs/dbraw/zinc/88/39/01/174883901.db2.gz MJUGYLJCFOAIEG-MNOVXSKESA-N 1 0 247.360 0.721 10 0 BCAERO CO[C@H]1C[NH2+]C[C@H]1NC(=O)Cc1ccsc1 ZINC000036235478 174899538 /nfs/dbraw/zinc/89/95/38/174899538.db2.gz MJZCSTCDPLRLLF-ZJUUUORDSA-N 1 0 240.328 0.394 10 0 BCAERO COc1cc(F)c([C@H](N)C[NH3+])cc1OC ZINC000044469695 174992670 /nfs/dbraw/zinc/99/26/70/174992670.db2.gz PNJJWVWDULGMBB-MRVPVSSYSA-N 1 0 214.240 0.801 10 0 BCAERO COc1cc(OC)c([C@H](O)C[NH3+])cc1OC ZINC000020216710 175008081 /nfs/dbraw/zinc/00/80/81/175008081.db2.gz OJIBCXRMXJZCTR-MRVPVSSYSA-N 1 0 227.260 0.705 10 0 BCAERO COc1cc(OC)nc(N(C)[C@H](C)C[NH3+])n1 ZINC000125504132 175010891 /nfs/dbraw/zinc/01/08/91/175010891.db2.gz PQBYHHZWCBODID-SSDOTTSWSA-N 1 0 226.280 0.277 10 0 BCAERO COc1cc(OC)nc(CSCC[NH3+])n1 ZINC000001741409 175011350 /nfs/dbraw/zinc/01/13/50/175011350.db2.gz HABLZSFHYOXUCY-UHFFFAOYSA-N 1 0 229.305 0.686 10 0 BCAERO COc1cc([C@H](C)[NH2+][C@H](C)C(N)=O)ccc1O ZINC000035793265 175015888 /nfs/dbraw/zinc/01/58/88/175015888.db2.gz XXNSEODVJZQRGQ-JGVFFNPUSA-N 1 0 238.287 0.925 10 0 BCAERO COc1cc([C@H](O)C[NH3+])cc2c1OCO2 ZINC000021950067 175017198 /nfs/dbraw/zinc/01/71/98/175017198.db2.gz RQEPKYBSSAVLEA-SSDOTTSWSA-N 1 0 211.217 0.416 10 0 BCAERO COc1cc([C@H]([NH3+])CO)c(Cl)cc1N ZINC000072198310 175017226 /nfs/dbraw/zinc/01/72/26/175017226.db2.gz ATRBRDRWIQGUGH-MRVPVSSYSA-N 1 0 216.668 0.923 10 0 BCAERO COc1ccc(C(=O)N2CC[NH2+]CC2)cc1O ZINC000082653545 175057233 /nfs/dbraw/zinc/05/72/33/175057233.db2.gz PUVIRPVHBYRTIA-UHFFFAOYSA-N 1 0 236.271 0.446 10 0 BCAERO COc1ccc(C(=O)NCCOCC[NH3+])cc1 ZINC000074533383 175060579 /nfs/dbraw/zinc/06/05/79/175060579.db2.gz JNTLLQPZPMPSBP-UHFFFAOYSA-N 1 0 238.287 0.400 10 0 BCAERO COc1ccc(CC[NH2+]CC(N)=O)cc1 ZINC000020044597 175091762 /nfs/dbraw/zinc/09/17/62/175091762.db2.gz FUNIFVBATAHBGX-UHFFFAOYSA-N 1 0 208.261 0.313 10 0 BCAERO COc1ccc(CNC(=O)[C@H](C)[NH3+])cn1 ZINC000040828454 175105070 /nfs/dbraw/zinc/10/50/70/175105070.db2.gz QLGVJACWFPHSHY-ZETCQYMHSA-N 1 0 209.249 0.054 10 0 BCAERO COc1ccc(C[NH2+][C@@H]2CCO[C@H]2C)nn1 ZINC000304286139 175110024 /nfs/dbraw/zinc/11/00/24/175110024.db2.gz MZNMHUZRGGHGNZ-WCBMZHEXSA-N 1 0 223.276 0.752 10 0 BCAERO COc1ccc(F)c([C@@H](N)C[NH3+])c1F ZINC000044473164 175126337 /nfs/dbraw/zinc/12/63/37/175126337.db2.gz VJJWFPIDVVPAAO-LURJTMIESA-N 1 0 202.204 0.932 10 0 BCAERO COc1ccc(OC)c(-n2nnnc2[C@H](C)[NH3+])c1 ZINC000062494058 175163370 /nfs/dbraw/zinc/16/33/70/175163370.db2.gz KMDDAZNJPINAQT-ZETCQYMHSA-N 1 0 249.274 0.699 10 0 BCAERO COc1ccc(OC)c(N2C[C@@H]([NH3+])C2=O)c1 ZINC000005808205 175166383 /nfs/dbraw/zinc/16/63/83/175166383.db2.gz BNJNAIHVFXLFSL-MRVPVSSYSA-N 1 0 222.244 0.378 10 0 BCAERO COc1ccc(OC)c(C[C@@H](O)CC[NH3+])c1 ZINC000041245692 175166642 /nfs/dbraw/zinc/16/66/42/175166642.db2.gz NLBWIZKKSFSKOI-JTQLQIEISA-N 1 0 225.288 0.956 10 0 BCAERO COc1ccc(OC)c([C@H](O)[C@@H]([NH3+])CO)c1 ZINC000077340973 175168577 /nfs/dbraw/zinc/16/85/77/175168577.db2.gz XFAKMQAFJKGGKF-ONGXEEELSA-N 1 0 227.260 0.057 10 0 BCAERO Cc1c(CN2CCO[C@@H]([C@H](C)[NH3+])C2)cnn1C ZINC000228365846 487630057 /nfs/dbraw/zinc/63/00/57/487630057.db2.gz OFMSKOFGGAWPDW-JOYOIKCWSA-N 1 0 238.335 0.277 10 0 BCAERO COc1ccc([C@@H]2[C@@H](O)[C@H](O)[C@@H](C)[N@@H+]2C)cc1 ZINC000136337713 175186512 /nfs/dbraw/zinc/18/65/12/175186512.db2.gz GJZNAEFHIYPPEM-HUXSOILUSA-N 1 0 237.299 0.792 10 0 BCAERO COc1ccc([C@H]2C[NH2+]CCN2)c(OC)c1 ZINC000041240492 175195300 /nfs/dbraw/zinc/19/53/00/175195300.db2.gz CSYYDKFZNFCKLE-LLVKDONJSA-N 1 0 222.288 0.938 10 0 BCAERO COc1ccc([C@H]2OC[C@@H](C[NH3+])O2)cc1O ZINC000049819924 175199020 /nfs/dbraw/zinc/19/90/20/175199020.db2.gz XVOGCTKEXJADJO-KCJUWKMLSA-N 1 0 225.244 0.774 10 0 BCAERO O[C@@H]1CCCC[C@@H]1C[NH2+]CC1(O)CCOCC1 ZINC000328213959 487630124 /nfs/dbraw/zinc/63/01/24/487630124.db2.gz WDQPUBYBXVQEOR-VXGBXAGGSA-N 1 0 243.347 0.669 10 0 BCAERO COc1cccc(C(=O)N2CC([NH3+])C2)c1OC ZINC000104311209 175243769 /nfs/dbraw/zinc/24/37/69/175243769.db2.gz HYZOHOZZULRXFF-UHFFFAOYSA-N 1 0 236.271 0.487 10 0 BCAERO COc1cccc(CCN2CC[C@H]([NH3+])C2=O)c1 ZINC000082547545 175251374 /nfs/dbraw/zinc/25/13/74/175251374.db2.gz HSOYWDWTXPVMIP-LBPRGKRZSA-N 1 0 234.299 0.797 10 0 BCAERO COc1cccc(C[NH3+])c1OC[C@@H](C)C(N)=O ZINC000035412931 175256774 /nfs/dbraw/zinc/25/67/74/175256774.db2.gz NLIXDBZOSPFZMZ-MRVPVSSYSA-N 1 0 238.287 0.654 10 0 BCAERO COc1cccc(C[NH2+][C@H]2CCC(=O)N[C@H]2C)n1 ZINC000282314520 175267486 /nfs/dbraw/zinc/26/74/86/175267486.db2.gz KRCDJZLGMRRYKC-ONGXEEELSA-N 1 0 249.314 0.847 10 0 BCAERO COc1cccc(C[C@@H](C)[NH3+])c1OCC(N)=O ZINC000037727629 175270934 /nfs/dbraw/zinc/27/09/34/175270934.db2.gz PPRDRQIFQUMIHB-MRVPVSSYSA-N 1 0 238.287 0.449 10 0 BCAERO COc1cccc(NC(=O)C[NH3+])c1OC ZINC000058824360 175276549 /nfs/dbraw/zinc/27/65/49/175276549.db2.gz NSFIFRSOTVJJEV-UHFFFAOYSA-N 1 0 210.233 0.601 10 0 BCAERO COc1cccc(NC(=O)N[C@H]2C[C@@H]2[NH3+])c1 ZINC000041047759 175277631 /nfs/dbraw/zinc/27/76/31/175277631.db2.gz YTQZFNNJWODORK-UWVGGRQHSA-N 1 0 221.260 0.916 10 0 BCAERO COc1cccc(OC)c1OC[C@](C)(O)C[NH3+] ZINC000019668079 175282451 /nfs/dbraw/zinc/28/24/51/175282451.db2.gz YNRZNAMQWFSLFY-GFCCVEGCSA-N 1 0 241.287 0.792 10 0 BCAERO COc1cccc([C@@H](C(N)=O)N2CC[NH2+]CC2)c1 ZINC000037945719 175285367 /nfs/dbraw/zinc/28/53/67/175285367.db2.gz AOGUBTJGEBDGDA-LBPRGKRZSA-N 1 0 249.314 0.127 10 0 BCAERO COc1cccc([C@@H](C[NH3+])N(C)CCO)c1 ZINC000020225792 175287660 /nfs/dbraw/zinc/28/76/60/175287660.db2.gz SLBWZGSOFUHCNW-GFCCVEGCSA-N 1 0 224.304 0.619 10 0 BCAERO COc1cccc([C@H](O)C[N@H+](C)CCO)c1 ZINC000062353029 175294754 /nfs/dbraw/zinc/29/47/54/175294754.db2.gz DBMFPOWHIVSCKN-GFCCVEGCSA-N 1 0 225.288 0.653 10 0 BCAERO COc1cccc2c1[C@@]1(CC[NH2+]C1)C(=O)N2 ZINC000299890258 175305540 /nfs/dbraw/zinc/30/55/40/175305540.db2.gz WSKOZDAIRONSKC-LBPRGKRZSA-N 1 0 218.256 0.878 10 0 BCAERO COc1cccc2c1[C@]1(CC[NH2+]C1)C(=O)N2 ZINC000299890257 175305699 /nfs/dbraw/zinc/30/56/99/175305699.db2.gz WSKOZDAIRONSKC-GFCCVEGCSA-N 1 0 218.256 0.878 10 0 BCAERO COc1ccccc1-c1n[nH]c(CC[NH3+])n1 ZINC000071520516 175310843 /nfs/dbraw/zinc/31/08/43/175310843.db2.gz DIVMSBKDCNEJBS-UHFFFAOYSA-N 1 0 218.260 0.982 10 0 BCAERO COc1ccccc1CC(=O)CN1CC[NH2+]CC1 ZINC000071563055 175320972 /nfs/dbraw/zinc/32/09/72/175320972.db2.gz NAODJUMAMIZVRR-UHFFFAOYSA-N 1 0 248.326 0.712 10 0 BCAERO COc1ccccc1CN1CC[C@@H]([NH3+])C1=O ZINC000049647468 175327139 /nfs/dbraw/zinc/32/71/39/175327139.db2.gz LBFFMPWROCTJGU-SNVBAGLBSA-N 1 0 220.272 0.755 10 0 BCAERO COc1ccccc1C[C@@H]1C[NH2+]CCN1 ZINC000095750831 175333063 /nfs/dbraw/zinc/33/30/63/175333063.db2.gz SHSZPVQOMWUTKF-LLVKDONJSA-N 1 0 206.289 0.799 10 0 BCAERO COc1ccccc1C[C@](C)([NH3+])C(N)=O ZINC000037895023 175334137 /nfs/dbraw/zinc/33/41/37/175334137.db2.gz NIPBARQTEXMJGF-NSHDSACASA-N 1 0 208.261 0.440 10 0 BCAERO COc1ccccc1S(=O)(=O)N[C@@H]1C[C@@H]1[NH3+] ZINC000036264715 175342308 /nfs/dbraw/zinc/34/23/08/175342308.db2.gz AAONEIAPOBHSAQ-JGVFFNPUSA-N 1 0 242.300 0.073 10 0 BCAERO COc1ccccc1[C@H](C[NH3+])n1cncn1 ZINC000043098646 175353447 /nfs/dbraw/zinc/35/34/47/175353447.db2.gz JEWAPZDJHYSOHS-JTQLQIEISA-N 1 0 218.260 0.835 10 0 BCAERO COc1ccnc(N2C[C@@H](C[NH3+])C[C@@H]2C)n1 ZINC000127045574 175362806 /nfs/dbraw/zinc/36/28/06/175362806.db2.gz WNXMLYWZNSNNSI-DTWKUNHWSA-N 1 0 222.292 0.659 10 0 BCAERO COc1cncc(N2C[C@@H]3C[NH2+][C@@H]3C2)c1 ZINC000028866022 175386511 /nfs/dbraw/zinc/38/65/11/175386511.db2.gz RBXPHLOPXMOBNI-GZMMTYOYSA-N 1 0 205.261 0.498 10 0 BCAERO COc1nc(Cl)nc(NC2CC[NH2+]CC2)n1 ZINC000061514723 175393056 /nfs/dbraw/zinc/39/30/56/175393056.db2.gz HYMSVLJMZNFLNF-UHFFFAOYSA-N 1 0 243.698 0.698 10 0 BCAERO COc1nc(N[C@@H]2CC[N@H+](C)C2)nc(OC)n1 ZINC000061451585 175395957 /nfs/dbraw/zinc/39/59/57/175395957.db2.gz XUTIUTKDKOWPPO-SSDOTTSWSA-N 1 0 239.279 0.005 10 0 BCAERO CS(=O)(=O)CCC1([NH3+])Cc2ccccc2C1 ZINC000053753962 175420616 /nfs/dbraw/zinc/42/06/16/175420616.db2.gz IKVOTESFJZWPBX-UHFFFAOYSA-N 1 0 239.340 0.917 10 0 BCAERO CS(=O)(=O)c1ccc(CC[NH2+]CCO)cc1 ZINC000098126720 175437703 /nfs/dbraw/zinc/43/77/03/175437703.db2.gz QWUJZHSBIYTFSJ-UHFFFAOYSA-N 1 0 243.328 0.215 10 0 BCAERO CS(=O)(=O)c1ccc(COCCC[NH3+])cc1 ZINC000077393887 175437914 /nfs/dbraw/zinc/43/79/14/175437914.db2.gz AIRJPRRTZUOLDJ-UHFFFAOYSA-N 1 0 243.328 0.956 10 0 BCAERO CS(=O)(=O)c1ccccc1[C@H]([NH3+])CO ZINC000082968216 175439186 /nfs/dbraw/zinc/43/91/86/175439186.db2.gz XOWMRFKTCQRDQE-MRVPVSSYSA-N 1 0 215.274 0.082 10 0 BCAERO CSCC[C@H]([NH3+])CN1CCC(CO)CC1 ZINC000039794797 175508054 /nfs/dbraw/zinc/50/80/54/175508054.db2.gz UUJMXFAKIZQOOJ-NSHDSACASA-N 1 0 232.393 0.771 10 0 BCAERO C[C@@H](C(=O)N(C)C[C@H]1CCCO1)C1C[NH2+]C1 ZINC000129181873 175601091 /nfs/dbraw/zinc/60/10/91/175601091.db2.gz MSRSSUNBTCXJJL-MWLCHTKSSA-N 1 0 226.320 0.479 10 0 BCAERO C[C@@H](C[NH3+])CN1C(=O)c2cccnc2C1=O ZINC000054140525 175706989 /nfs/dbraw/zinc/70/69/89/175706989.db2.gz MZGGTMWSLNKNCR-ZETCQYMHSA-N 1 0 219.244 0.272 10 0 BCAERO C[C@@H](C[NH3+])N1C(=O)c2ccccc2C1=O ZINC000070162398 175710325 /nfs/dbraw/zinc/71/03/25/175710325.db2.gz TUIAMCDNMMJOEC-ZETCQYMHSA-N 1 0 204.229 0.630 10 0 BCAERO C[C@@H](CO)[NH2+]Cc1ccc2c(c1)OCO2 ZINC000035602163 175756910 /nfs/dbraw/zinc/75/69/10/175756910.db2.gz RVWBMKFBVYMPQK-QMMMGPOBSA-N 1 0 209.245 0.886 10 0 BCAERO C[C@@H]([NH3+])CC(=O)N(C)C[C@H]1CCCO1 ZINC000042465888 175802328 /nfs/dbraw/zinc/80/23/28/175802328.db2.gz IXOIMFAQQCBOCT-RKDXNWHRSA-N 1 0 200.282 0.361 10 0 BCAERO C[C@@H]([NH3+])CC(=O)N1CCc2ncccc2C1 ZINC000037484111 175802694 /nfs/dbraw/zinc/80/26/94/175802694.db2.gz NRZGNANPKYTZHS-SECBINFHSA-N 1 0 219.288 0.704 10 0 BCAERO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C1=COCCO1 ZINC000063193695 175813868 /nfs/dbraw/zinc/81/38/68/175813868.db2.gz ZDVYKMSNJOQAMN-NXEZZACHSA-N 1 0 240.303 0.603 10 0 BCAERO C[C@@H]([NH2+]C1CCN(C(N)=O)CC1)C1CC1 ZINC000037259565 175860605 /nfs/dbraw/zinc/86/06/05/175860605.db2.gz LFCGONSHMOUTCF-MRVPVSSYSA-N 1 0 211.309 0.918 10 0 BCAERO C[C@@H]([NH2+]C[C@@H](O)COC[C@@H]1CCCO1)C1CC1 ZINC000037889334 175887152 /nfs/dbraw/zinc/88/71/52/175887152.db2.gz AIFXGCOKRZYSLB-RTXFEEFZSA-N 1 0 243.347 0.931 10 0 BCAERO C[C@@H](OC[C@H]1CCC[NH2+]1)C(=O)N(C)C ZINC000051816234 176002908 /nfs/dbraw/zinc/00/29/08/176002908.db2.gz ZVABUFBLTPQJFH-RKDXNWHRSA-N 1 0 200.282 0.232 10 0 BCAERO C[C@@H](O[C@H]1CCC[NH2+]C1)C(=O)NC1CC1 ZINC000020422763 176004101 /nfs/dbraw/zinc/00/41/01/176004101.db2.gz DVMFUIWZTPTNLK-SCZZXKLOSA-N 1 0 212.293 0.422 10 0 BCAERO C[C@@H]([C@@H]1CCC[NH2+]C1)N1C(=O)CCC1=O ZINC000035691752 176012227 /nfs/dbraw/zinc/01/22/27/176012227.db2.gz NAWVBCTXCVIHOK-DTWKUNHWSA-N 1 0 210.277 0.524 10 0 BCAERO C[C@@H](c1ccccc1)[C@@H]1NCCNC1=O ZINC000051925329 176023218 /nfs/dbraw/zinc/02/32/18/176023218.db2.gz TWKHOWKFSAETFI-ONGXEEELSA-N 1 0 204.273 0.878 10 0 BCAERO C[C@@H](c1ccccc1F)n1nnnc1C[NH3+] ZINC000054747187 176025122 /nfs/dbraw/zinc/02/51/22/176025122.db2.gz SEHOOMFSXSHIGT-ZETCQYMHSA-N 1 0 221.239 0.880 10 0 BCAERO C[C@H]([C@H]1CCCC[NH2+]1)N1C(=O)C[C@@H](C)C1=O ZINC000216527382 176049244 /nfs/dbraw/zinc/04/92/44/176049244.db2.gz ABVPOOWFTDLLBE-OPRDCNLKSA-N 1 0 224.304 0.912 10 0 BCAERO CC(C)(C)[C@H](O)CNC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000324592773 487632902 /nfs/dbraw/zinc/63/29/02/487632902.db2.gz FGMTZTFWBJZQSX-WDEREUQCSA-N 1 0 242.363 0.899 10 0 BCAERO CC(C)(C)[C@H](O)CNC(=O)C[C@H]1CCC[NH2+]C1 ZINC000324592768 487632620 /nfs/dbraw/zinc/63/26/20/487632620.db2.gz FGMTZTFWBJZQSX-GHMZBOCLSA-N 1 0 242.363 0.899 10 0 BCAERO C[C@@H]1CCC[N@@H+]1CCn1cc(N)ccc1=O ZINC000037909961 176109077 /nfs/dbraw/zinc/10/90/77/176109077.db2.gz PYVNTJKWHIWNMZ-SNVBAGLBSA-N 1 0 221.304 0.915 10 0 BCAERO C[C@@H]1CCC[NH2+][C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000052010719 176111986 /nfs/dbraw/zinc/11/19/86/176111986.db2.gz BIGCPIMWVLDCJW-WYUUTHIRSA-N 1 0 240.347 0.794 10 0 BCAERO C[C@@H]1CCC[C@@H](C(=O)N(C)CC(=O)N(C)C)[NH2+]1 ZINC000037271825 176112637 /nfs/dbraw/zinc/11/26/37/176112637.db2.gz PXALMWLYASXZGF-ZJUUUORDSA-N 1 0 241.335 0.064 10 0 BCAERO C[C@@H]1CCC[C@@H](C(=O)NC2CCOCC2)[NH2+]1 ZINC000036319902 176112725 /nfs/dbraw/zinc/11/27/25/176112725.db2.gz HBRFVKWXORFWEC-KOLCDFICSA-N 1 0 226.320 0.812 10 0 BCAERO C[C@@H]1CCC[C@@H](C)N1S(=O)(=O)CC[NH3+] ZINC000011584633 176115987 /nfs/dbraw/zinc/11/59/87/176115987.db2.gz POMUSURHKJSPRE-RKDXNWHRSA-N 1 0 220.338 0.538 10 0 BCAERO C[C@@H]1CCC[C@@H](NS(=O)(=O)CC[NH3+])C1 ZINC000037115705 176124047 /nfs/dbraw/zinc/12/40/47/176124047.db2.gz FZURGLGERYQWPZ-RKDXNWHRSA-N 1 0 220.338 0.443 10 0 BCAERO C[C@@H]1CCC[C@H](C(=O)NCCn2ccnc2)[NH2+]1 ZINC000042542794 176135723 /nfs/dbraw/zinc/13/57/23/176135723.db2.gz FIMZEAPGUBTAHH-GHMZBOCLSA-N 1 0 236.319 0.530 10 0 BCAERO C[C@@H]1CCC[C@H]1C(=O)NC[C@](C)(O)C[NH+](C)C ZINC000300419627 176146517 /nfs/dbraw/zinc/14/65/17/176146517.db2.gz YYVPKRRJULYLLR-WZRBSPASSA-N 1 0 242.363 0.851 10 0 BCAERO C[C@@H]1CCC[C@H]1C(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000358074364 176147142 /nfs/dbraw/zinc/14/71/42/176147142.db2.gz RHMXJTHAXQYLST-NQBHXWOUSA-N 1 0 240.347 0.605 10 0 BCAERO C[C@@H]1CCC[C@](CO)(NC(=O)[C@@H]2CC[NH2+]C2)C1 ZINC000062116880 176152075 /nfs/dbraw/zinc/15/20/75/176152075.db2.gz SGKOBQYZSQGTRA-WZRBSPASSA-N 1 0 240.347 0.653 10 0 BCAERO C[C@@H]1CCN(C(=O)C(F)(F)F)CC[NH2+]1 ZINC000062570225 176154076 /nfs/dbraw/zinc/15/40/76/176154076.db2.gz AMTSGVWGENGTHE-ZCFIWIBFSA-N 1 0 210.199 0.759 10 0 BCAERO C[C@@H]1CCN(C(=O)[C@@H]2CCOC2)[C@@H](C[NH3+])C1 ZINC000235313233 176160409 /nfs/dbraw/zinc/16/04/09/176160409.db2.gz ASOMNUZOWWAPIT-GMTAPVOTSA-N 1 0 226.320 0.609 10 0 BCAERO C[C@@H]1CCN(CC(=O)N(C)C)[C@@H](C[NH3+])C1 ZINC000224841399 176167629 /nfs/dbraw/zinc/16/76/29/176167629.db2.gz YOOLSLXDFGGYIB-NXEZZACHSA-N 1 0 213.325 0.134 10 0 BCAERO C[C@@H]1CCN(S(=O)(=O)C[C@@H]2CCC[NH2+]2)C1 ZINC000049644385 176178651 /nfs/dbraw/zinc/17/86/51/176178651.db2.gz FQWKEWGECBBUSH-ZJUUUORDSA-N 1 0 232.349 0.410 10 0 BCAERO C[C@@H]1CCN(S(=O)(=O)C[C@@H]2CCC[NH2+]C2)C1 ZINC000049644377 176179386 /nfs/dbraw/zinc/17/93/86/176179386.db2.gz ZJXPNPOQGILYPN-GHMZBOCLSA-N 1 0 246.376 0.658 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)NCCn2cccn2)C[NH2+]1 ZINC000042542755 176220620 /nfs/dbraw/zinc/22/06/20/176220620.db2.gz YHESQMMJPZMOAL-MNOVXSKESA-N 1 0 236.319 0.387 10 0 BCAERO C[C@@H]1CC[C@H](CNC(=O)NC2CC2)C[NH2+]1 ZINC000062037379 176226364 /nfs/dbraw/zinc/22/63/64/176226364.db2.gz DCOXBGQUYJISQA-BDAKNGLRSA-N 1 0 211.309 0.836 10 0 BCAERO C[C@@H]1CC[C@H](OCC(=O)N(C)C)C[NH2+]1 ZINC000050211489 176235713 /nfs/dbraw/zinc/23/57/13/176235713.db2.gz PAJUDRGCUKZHQI-BDAKNGLRSA-N 1 0 200.282 0.232 10 0 BCAERO C[C@@H]1CN(C(=O)C[NH2+]C2CCCC2)CCO1 ZINC000037395561 176247153 /nfs/dbraw/zinc/24/71/53/176247153.db2.gz ZTDSDXVDZGASGP-SNVBAGLBSA-N 1 0 226.320 0.766 10 0 BCAERO C[C@@H]1CN(C(=O)[C@H]2Cc3ccccc3O2)C[C@@H]1[NH3+] ZINC000235363384 176259212 /nfs/dbraw/zinc/25/92/12/176259212.db2.gz DLUXBYZKFDCICJ-SUZMYJTESA-N 1 0 246.310 0.796 10 0 BCAERO C[C@H]1OCC[C@H]1[NH2+]CCN1CCO[C@H](C)C1 ZINC000348192490 176291495 /nfs/dbraw/zinc/29/14/95/176291495.db2.gz ZYVNGHYTODBQNH-IJLUTSLNSA-N 1 0 228.336 0.474 10 0 BCAERO C[C@@H]1CN(CCOC2CC[NH2+]CC2)[C@H](C)CO1 ZINC000104390084 176292382 /nfs/dbraw/zinc/29/23/82/176292382.db2.gz DGNZICPDDPYPNT-VXGBXAGGSA-N 1 0 242.363 0.864 10 0 BCAERO C[C@@H]1CN(C[C@@H]2CCS(=O)(=O)C2)[C@H](C)C[NH2+]1 ZINC000083085947 176297855 /nfs/dbraw/zinc/29/78/55/176297855.db2.gz BEBLDDJSCZLIHQ-MXWKQRLJSA-N 1 0 246.376 0.103 10 0 BCAERO CC(C)(C)[C@@H](O)CNC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000324592771 487633344 /nfs/dbraw/zinc/63/33/44/487633344.db2.gz FGMTZTFWBJZQSX-QWRGUYRKSA-N 1 0 242.363 0.899 10 0 BCAERO C[C@@H]1CN(Cc2cccc(C(N)=O)c2)C[C@@H]1[NH3+] ZINC000235367589 176304267 /nfs/dbraw/zinc/30/42/67/176304267.db2.gz KAVMUGVSTBRBAG-SKDRFNHKSA-N 1 0 233.315 0.565 10 0 BCAERO C[C@@H]1CN(Cc2ccncc2)C[C@H](C[NH3+])O1 ZINC000071523407 176309428 /nfs/dbraw/zinc/30/94/28/176309428.db2.gz KNACXBXVGBVUGV-PWSUYJOCSA-N 1 0 221.304 0.630 10 0 BCAERO C[C@@H]1CN([C@@H](C[NH3+])c2cccnc2)CCO1 ZINC000019255307 176316086 /nfs/dbraw/zinc/31/60/86/176316086.db2.gz LNCTZPLSNWIXKC-PWSUYJOCSA-N 1 0 221.304 0.802 10 0 BCAERO C[C@H](C(=O)NC1CCCC1)N1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000235354217 176316903 /nfs/dbraw/zinc/31/69/03/176316903.db2.gz VOUWEJXXFNFHCP-FOGDFJRCSA-N 1 0 239.363 0.713 10 0 BCAERO C[C@@H]1CN([C@]2(C[NH3+])CCSC2)C[C@@H](C)O1 ZINC000019482926 176317551 /nfs/dbraw/zinc/31/75/51/176317551.db2.gz ZTJQXRSNDHYJAC-MXWKQRLJSA-N 1 0 230.377 0.930 10 0 BCAERO C[C@@H]1CN(c2nc3cccnc3[nH]2)CC[NH2+]1 ZINC000095069523 176320787 /nfs/dbraw/zinc/32/07/87/176320787.db2.gz XGMLSDYPEZVNSY-MRVPVSSYSA-N 1 0 217.276 0.756 10 0 BCAERO C[C@@H]1CN(c2nccnc2C[NH3+])CCCO1 ZINC000061912738 176321987 /nfs/dbraw/zinc/32/19/87/176321987.db2.gz NOXCCZAMDRYMAK-SECBINFHSA-N 1 0 222.292 0.551 10 0 BCAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1S(C)(=O)=O ZINC000082699274 176323550 /nfs/dbraw/zinc/32/35/50/176323550.db2.gz TZERBJOBDTWTPV-RKDXNWHRSA-N 1 0 218.322 0.115 10 0 BCAERO C[C@@H]1C[NH+]=C(NCCn2ccnc2)S1 ZINC000042542218 176323862 /nfs/dbraw/zinc/32/38/62/176323862.db2.gz BBVLYLHFNNPBKT-MRVPVSSYSA-N 1 0 210.306 0.964 10 0 BCAERO C[C@@H]1C[NH2+]CCN1CC(=O)OC(C)(C)C ZINC000054372494 176326460 /nfs/dbraw/zinc/32/64/60/176326460.db2.gz XXGDABGCLDZRFY-SECBINFHSA-N 1 0 214.309 0.622 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]2Cc3ccc(CO)nc3N21 ZINC000028571970 176329626 /nfs/dbraw/zinc/32/96/26/176329626.db2.gz UKUYYAKTAQAUQY-LDYMZIIASA-N 1 0 219.288 0.297 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCSC[C@@H]1C ZINC000069761840 176329652 /nfs/dbraw/zinc/32/96/52/176329652.db2.gz FMGQWJJFIMGYRC-KXUCPTDWSA-N 1 0 228.361 0.806 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N(C)C[C@H]1CCCO1 ZINC000235278120 176329778 /nfs/dbraw/zinc/32/97/78/176329778.db2.gz OXEYGTYFYLYLTN-GMTAPVOTSA-N 1 0 226.320 0.479 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]2Cc3ccc(CO)cc3N21 ZINC000028463764 176330002 /nfs/dbraw/zinc/33/00/02/176330002.db2.gz PLKQFDHSUAGPKA-BXKDBHETSA-N 1 0 218.300 0.902 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1ccc(=O)n(C)c1 ZINC000111267791 176330053 /nfs/dbraw/zinc/33/00/53/176330053.db2.gz KTUMIXKXECIMSS-PSASIEDQSA-N 1 0 235.287 0.179 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000235333241 176330117 /nfs/dbraw/zinc/33/01/17/176330117.db2.gz SGHBNOLHNCWVAJ-GWOFURMSSA-N 1 0 226.320 0.478 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N1C[C@@H](C)OC[C@H]1C ZINC000235333381 176330185 /nfs/dbraw/zinc/33/01/85/176330185.db2.gz GTXSHZDCNWFKHA-GWOFURMSSA-N 1 0 226.320 0.478 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1cccnc1N(C)C ZINC000104225569 176330212 /nfs/dbraw/zinc/33/02/12/176330212.db2.gz ZDPMHXPTKVQWKM-NXEZZACHSA-N 1 0 248.330 0.942 10 0 BCAERO C[C@@H]1CN[C@@H](C(=O)N(C)CC2CCCC2)C[NH2+]1 ZINC000104346663 176330854 /nfs/dbraw/zinc/33/08/54/176330854.db2.gz FXQVUTHHZJWOAP-ZYHUDNBSSA-N 1 0 239.363 0.585 10 0 BCAERO C[C@@H]1CN[C@@H](C(=O)N2CCC(C)(C)CC2)C[NH2+]1 ZINC000062815692 176330863 /nfs/dbraw/zinc/33/08/63/176330863.db2.gz VDAAKKDNKZYDNX-GHMZBOCLSA-N 1 0 239.363 0.585 10 0 BCAERO C[C@@H]1COCCN1C(=O)[C@@H]1CCCC[NH2+]1 ZINC000035776662 176333846 /nfs/dbraw/zinc/33/38/46/176333846.db2.gz LPTIVWZSPSMVLC-ZJUUUORDSA-N 1 0 212.293 0.376 10 0 BCAERO C[C@@H]1COCCN1C(=O)C[NH2+]CC1CC1 ZINC000037478347 176333894 /nfs/dbraw/zinc/33/38/94/176333894.db2.gz ZKYRZCALMXTSNS-SECBINFHSA-N 1 0 212.293 0.233 10 0 BCAERO C[C@@H]1COCCN1C(=O)C(C)(C)C[NH3+] ZINC000044751689 176334294 /nfs/dbraw/zinc/33/42/94/176334294.db2.gz TVJMQMVWYRFMRS-MRVPVSSYSA-N 1 0 200.282 0.219 10 0 BCAERO C[C@@H]1COCCN1C(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000226739813 176334408 /nfs/dbraw/zinc/33/44/08/176334408.db2.gz UXHDIIDQEOEYMT-OUAUKWLOSA-N 1 0 226.320 0.751 10 0 BCAERO C[C@@H]1COCCN1[C@@H](C[NH3+])C1CCOCC1 ZINC000052177049 176337704 /nfs/dbraw/zinc/33/77/04/176337704.db2.gz FMEYLOBCSVRTPD-PWSUYJOCSA-N 1 0 228.336 0.461 10 0 BCAERO C[C@@H]1COC[C@@H](C)N1C(=O)CCC[NH3+] ZINC000237461896 176346075 /nfs/dbraw/zinc/34/60/75/176346075.db2.gz OPMLFYYRKBJLES-RKDXNWHRSA-N 1 0 200.282 0.361 10 0 BCAERO C[C@H](CN1CCOCC1)NC1=[NH+][C@H](C)CS1 ZINC000049510405 176349004 /nfs/dbraw/zinc/34/90/04/176349004.db2.gz YVYKHBIOGRZWGL-NXEZZACHSA-N 1 0 243.376 0.788 10 0 BCAERO C[C@@H]1CSC(NCCS(C)(=O)=O)=[NH+]1 ZINC000037750924 176349514 /nfs/dbraw/zinc/34/95/14/176349514.db2.gz HCAJBCZNZAKKOA-ZCFIWIBFSA-N 1 0 222.335 0.112 10 0 BCAERO C[C@@H]1CSC[C@H]1[NH2+][C@@]1(CO)CCOC1 ZINC000306413973 176355873 /nfs/dbraw/zinc/35/58/73/176355873.db2.gz UUIJMLQYRPJUOW-OPRDCNLKSA-N 1 0 217.334 0.479 10 0 BCAERO C[C@@H]1C[C@@H](C)CN(C(=O)C2([NH3+])CCOCC2)C1 ZINC000127719020 176360211 /nfs/dbraw/zinc/36/02/11/176360211.db2.gz VHQIIOPFAVTJET-GHMZBOCLSA-N 1 0 240.347 0.999 10 0 BCAERO C[C@@H]1C[C@@H]1C[N@H+](C)C[C@](C)(NC1CC1)C(N)=O ZINC000104406828 176391879 /nfs/dbraw/zinc/39/18/79/176391879.db2.gz JGTLLNZOOYFDNB-BREBYQMCSA-N 1 0 239.363 0.570 10 0 BCAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]C[C@@H](O)C(C)(C)C ZINC000336678390 176455332 /nfs/dbraw/zinc/45/53/32/176455332.db2.gz BRALDIPICUUSCY-LPEHRKFASA-N 1 0 228.336 0.650 10 0 BCAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]C[C@@H]1CCCOC1 ZINC000309404640 176456000 /nfs/dbraw/zinc/45/60/00/176456000.db2.gz HVGPZFNUJWODRC-GARJFASQSA-N 1 0 226.320 0.670 10 0 BCAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]CCn1cccn1 ZINC000282401784 176456230 /nfs/dbraw/zinc/45/62/30/176456230.db2.gz PRZXISGZPONYTF-VHSXEESVSA-N 1 0 222.292 0.140 10 0 BCAERO C[C@@]1(C(=O)N[C@@H]2CCCOC2)CCC[NH2+]C1 ZINC000071023489 176526192 /nfs/dbraw/zinc/52/61/92/176526192.db2.gz AWQKZLPPAXRJTC-ZYHUDNBSSA-N 1 0 226.320 0.671 10 0 BCAERO C[C@H](CCC[NH3+])C(=O)N1CCOCC1 ZINC000076582752 176620112 /nfs/dbraw/zinc/62/01/12/176620112.db2.gz RGMWBWCQZUSVFP-SECBINFHSA-N 1 0 200.282 0.220 10 0 BCAERO C[C@H](C[NH3+])N(C)c1ncnc2c1CCC2 ZINC000082640211 176660726 /nfs/dbraw/zinc/66/07/26/176660726.db2.gz FJAOAJNWSNTPEN-MRVPVSSYSA-N 1 0 206.293 0.749 10 0 BCAERO C[C@H]([NH3+])C(=O)N(C)Cc1ccc(O)cc1 ZINC000037823206 176745863 /nfs/dbraw/zinc/74/58/63/176745863.db2.gz ZSPZKWIISFKAKZ-QMMMGPOBSA-N 1 0 208.261 0.698 10 0 BCAERO C[C@H]([NH3+])C(=O)Nc1cccnc1N1CCCC1 ZINC000037012012 176753637 /nfs/dbraw/zinc/75/36/37/176753637.db2.gz GMIJSUGBZVIZAR-VIFPVBQESA-N 1 0 234.303 0.968 10 0 BCAERO C[C@H]([NH3+])[C@H](N1CCNC(=O)C1)C(C)(C)C ZINC000043291466 176770197 /nfs/dbraw/zinc/77/01/97/176770197.db2.gz OPDKYKVUAQIRLZ-WPRPVWTQSA-N 1 0 213.325 0.180 10 0 BCAERO C[C@H]([NH3+])[C@H](c1cnn(C)c1)n1cccn1 ZINC000043232438 176772520 /nfs/dbraw/zinc/77/25/20/176772520.db2.gz OOOBZAZNVIWTGH-WCBMZHEXSA-N 1 0 205.265 0.553 10 0 BCAERO C[C@H]([NH3+])[C@H](c1ccncc1)N1CCNC(=O)CC1 ZINC000062099831 176772659 /nfs/dbraw/zinc/77/26/59/176772659.db2.gz RNJWHROCADFBRR-GXFFZTMASA-N 1 0 248.330 0.292 10 0 BCAERO C[C@H]([NH3+])[C@H](c1cnn(C)c1)N(C)C1CC1 ZINC000043126972 176772741 /nfs/dbraw/zinc/77/27/41/176772741.db2.gz SYIQMSXXIULETC-GZMMTYOYSA-N 1 0 208.309 0.903 10 0 BCAERO C[C@H](NC(=O)C[NH2+]CC1CC1)[C@@H]1CCCO1 ZINC000037478329 176792643 /nfs/dbraw/zinc/79/26/43/176792643.db2.gz DXUFQMWTVCWNQC-ONGXEEELSA-N 1 0 226.320 0.670 10 0 BCAERO C[C@H]([NH2+]C[C@H]1CCCC[C@@H]1C)C(=O)NC(N)=O ZINC000042862103 176868537 /nfs/dbraw/zinc/86/85/37/176868537.db2.gz RDKNYLGUXZSJGH-LPEHRKFASA-N 1 0 241.335 0.986 10 0 BCAERO C[C@H](O)C1CCN(C(=O)C[NH2+]CC2CC2)CC1 ZINC000226332835 176947787 /nfs/dbraw/zinc/94/77/87/176947787.db2.gz UZJBUMVTOCZCIK-JTQLQIEISA-N 1 0 240.347 0.605 10 0 BCAERO COC[C@@H](C)[NH2+]CC(=O)N(C)C1CC1 ZINC000049304366 487636424 /nfs/dbraw/zinc/63/64/24/487636424.db2.gz ILHCFJGLTLMPKT-MRVPVSSYSA-N 1 0 200.282 0.232 10 0 BCAERO C[C@H](O)CN(C)C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054292887 176967785 /nfs/dbraw/zinc/96/77/85/176967785.db2.gz IRNKNNLTERJCKS-UWVGGRQHSA-N 1 0 214.309 0.215 10 0 BCAERO C[C@H](O)[C@@H]1C[NH2+]CCN1Cc1ccccc1 ZINC000082364997 177009304 /nfs/dbraw/zinc/00/93/04/177009304.db2.gz YKKYMWBFTVIDFV-AAEUAGOBSA-N 1 0 220.316 0.841 10 0 BCAERO C[C@H](O)[C@H]([NH3+])c1nncn1C1CCCC1 ZINC000054526408 177013880 /nfs/dbraw/zinc/01/38/80/177013880.db2.gz PZIWZTQZWULJSR-CBAPKCEASA-N 1 0 210.281 0.774 10 0 BCAERO C[C@H](O)[C@H]1C[NH2+]CCN1Cc1ccccc1 ZINC000082364999 177015546 /nfs/dbraw/zinc/01/55/46/177015546.db2.gz YKKYMWBFTVIDFV-WCQYABFASA-N 1 0 220.316 0.841 10 0 BCAERO C[C@H](OC1CC[NH2+]CC1)C(=O)N1CCCC1 ZINC000036963138 177020428 /nfs/dbraw/zinc/02/04/28/177020428.db2.gz DZQNVRICHLUIPP-JTQLQIEISA-N 1 0 226.320 0.766 10 0 BCAERO C[C@H](OC[C@H]1CCC[NH2+]1)C(=O)N(C)C ZINC000051816233 177021322 /nfs/dbraw/zinc/02/13/22/177021322.db2.gz ZVABUFBLTPQJFH-DTWKUNHWSA-N 1 0 200.282 0.232 10 0 BCAERO C[C@H](O[C@H]1CC[NH2+]C1)C(=O)N1CCCCC1 ZINC000051782278 177021731 /nfs/dbraw/zinc/02/17/31/177021731.db2.gz OUIHUHDIZLBALF-QWRGUYRKSA-N 1 0 226.320 0.766 10 0 BCAERO C[C@@H]([NH3+])c1cccc(O[C@@H](C)C(N)=O)c1 ZINC000020419750 177023908 /nfs/dbraw/zinc/02/39/08/177023908.db2.gz DXKJGVHPGVBWAN-SFYZADRCSA-N 1 0 208.261 0.959 10 0 BCAERO C[C@H]([C@H]1CCCC[NH2+]1)N1C(=O)CCC1=O ZINC000035691829 177031486 /nfs/dbraw/zinc/03/14/86/177031486.db2.gz JNFGMSRVNLRSFM-RKDXNWHRSA-N 1 0 210.277 0.666 10 0 BCAERO C[C@H]([C@H](O)c1ccccc1)N(C)C(=O)C[NH3+] ZINC000004202573 177032305 /nfs/dbraw/zinc/03/23/05/177032305.db2.gz RASDPMXCBLHKCI-SKDRFNHKSA-N 1 0 222.288 0.526 10 0 BCAERO C[C@H](c1ccccc1)[C@H]([NH2+]CCN(C)C)C(N)=O ZINC000041085311 177040860 /nfs/dbraw/zinc/04/08/60/177040860.db2.gz MTDWSJLAAKJVEK-YPMHNXCESA-N 1 0 249.358 0.795 10 0 BCAERO C[C@H]1CC(=O)N(C[C@H]2CCC[NH2+]C2)C1=O ZINC000103378798 177061302 /nfs/dbraw/zinc/06/13/02/177061302.db2.gz QVBWRYXPTUPCTA-IUCAKERBSA-N 1 0 210.277 0.381 10 0 BCAERO C[C@H]1CC(=O)N(C[C@@H]2CCC[NH2+]C2)C1=O ZINC000103378795 177061375 /nfs/dbraw/zinc/06/13/75/177061375.db2.gz QVBWRYXPTUPCTA-DTWKUNHWSA-N 1 0 210.277 0.381 10 0 BCAERO C[C@H]1CC(=O)N(C[C@H]2CCCC[NH2+]2)C1=O ZINC000103378789 177061967 /nfs/dbraw/zinc/06/19/67/177061967.db2.gz DCBOANCCPBRFAZ-DTWKUNHWSA-N 1 0 210.277 0.524 10 0 BCAERO C[C@H]1CC(=O)N(C[C@@H]([NH3+])C(C)(C)C)C1=O ZINC000103974262 177061973 /nfs/dbraw/zinc/06/19/73/177061973.db2.gz IULPKNCDKNWDGM-JGVFFNPUSA-N 1 0 212.293 0.755 10 0 BCAERO C[C@H]1CCCCN1S(=O)(=O)CCC[NH3+] ZINC000020180104 177079179 /nfs/dbraw/zinc/07/91/79/177079179.db2.gz BITFJPSETNVTNY-VIFPVBQESA-N 1 0 220.338 0.539 10 0 BCAERO C[C@@H]1CN[C@H](C(=O)N[C@@H]2CCCC[C@@H]2C)C[NH2+]1 ZINC000062814023 177087965 /nfs/dbraw/zinc/08/79/65/177087965.db2.gz FNCZSTWOPUMVED-QCNOEVLYSA-N 1 0 239.363 0.631 10 0 BCAERO C[C@H]1CCC[NH2+][C@H]1C(=O)N1CCN(C)CC1 ZINC000051791991 177112434 /nfs/dbraw/zinc/11/24/34/177112434.db2.gz LFMQBDCAOWQFGP-WDEREUQCSA-N 1 0 225.336 0.149 10 0 BCAERO C[C@H]1CCC[C@@H](C(=O)NCCn2cccn2)[NH2+]1 ZINC000042542775 177114212 /nfs/dbraw/zinc/11/42/12/177114212.db2.gz KDDZZMASKQVANR-QWRGUYRKSA-N 1 0 236.319 0.530 10 0 BCAERO C[C@@H]1CCC[C@H](C)[N@H+]1CCN=NC(N)N ZINC000039109356 177117823 /nfs/dbraw/zinc/11/78/23/177117823.db2.gz IAIFTMSURQBMNY-DTORHVGOSA-N 1 0 213.329 0.237 10 0 BCAERO C[C@@H]1CCC[C@H](C)N1S(=O)(=O)CCC[NH3+] ZINC000037719395 177117895 /nfs/dbraw/zinc/11/78/95/177117895.db2.gz SLJISJPAKOHUFH-AOOOYVTPSA-N 1 0 234.365 0.928 10 0 BCAERO C[C@H]1CCC[C@@H](CNS(C)(=O)=O)[NH2+]1 ZINC000051574267 177119149 /nfs/dbraw/zinc/11/91/49/177119149.db2.gz XDBMSTWAMXQTQI-YUMQZZPRSA-N 1 0 206.311 0.066 10 0 BCAERO C[C@H]1CCC[C@H](C(=O)N(C)CC(=O)N(C)C)[NH2+]1 ZINC000037271823 177128136 /nfs/dbraw/zinc/12/81/36/177128136.db2.gz PXALMWLYASXZGF-VHSXEESVSA-N 1 0 241.335 0.064 10 0 BCAERO C[C@H]1CCC[C@H](C)C12NC(=O)N(CC[NH3+])C2=O ZINC000019413385 177128880 /nfs/dbraw/zinc/12/88/80/177128880.db2.gz DIRDBTMTYDHNNL-IUCAKERBSA-N 1 0 239.319 0.692 10 0 BCAERO C[C@H]1CCC[C@H](S(=O)(=O)CC[NH3+])C1 ZINC000054688616 177139424 /nfs/dbraw/zinc/13/94/24/177139424.db2.gz FQOIEEXUCPNWLM-IUCAKERBSA-N 1 0 205.323 0.939 10 0 BCAERO C[C@H](C(=O)N1CC[C@H](C)C1)N1CC[NH2+]CC1 ZINC000040725554 177150983 /nfs/dbraw/zinc/15/09/83/177150983.db2.gz UHMFQEZDLZEUFR-WDEREUQCSA-N 1 0 225.336 0.149 10 0 BCAERO C[C@H]1CCN(CCN2CCOCC2)[C@H](C[NH3+])C1 ZINC000111679907 177161066 /nfs/dbraw/zinc/16/10/66/177161066.db2.gz VPBLQVOFGMYBTD-STQMWFEESA-N 1 0 241.379 0.378 10 0 BCAERO C[C@H]1CCN(c2nccn3cnnc23)[C@H](C[NH3+])C1 ZINC000261551942 177172922 /nfs/dbraw/zinc/17/29/22/177172922.db2.gz ZAFBSWWQZVOALI-UWVGGRQHSA-N 1 0 246.318 0.688 10 0 BCAERO C[C@H]1CC[C@@H]([NH3+])C[C@@H]1C(=O)NCCCC(N)=O ZINC000055130550 177191033 /nfs/dbraw/zinc/19/10/33/177191033.db2.gz VFKNFRABLDWVCQ-AEJSXWLSSA-N 1 0 241.335 0.132 10 0 BCAERO C[C@H]1CC[C@H](C(=O)N2CCCOCC2)C[NH2+]1 ZINC000061933213 177196314 /nfs/dbraw/zinc/19/63/14/177196314.db2.gz ONKRAPNFLLLJSZ-QWRGUYRKSA-N 1 0 226.320 0.623 10 0 BCAERO C[C@H]1CC[C@H](CN2CCCNC2=O)C[NH2+]1 ZINC000062037659 177201772 /nfs/dbraw/zinc/20/17/72/177201772.db2.gz RGVPBZAMJDXTPQ-UWVGGRQHSA-N 1 0 211.309 0.790 10 0 BCAERO C[C@H]1CN(C(=O)C(C)(C)C[NH3+])C[C@H](C)O1 ZINC000044751248 177211899 /nfs/dbraw/zinc/21/18/99/177211899.db2.gz WYGBBGNHPLMGTQ-IUCAKERBSA-N 1 0 214.309 0.607 10 0 BCAERO C[C@@H]1CO[C@@H](C)CN1C(=O)C(C)(C)[NH3+] ZINC000040920751 177212015 /nfs/dbraw/zinc/21/20/15/177212015.db2.gz UGBPYZGWLOJIKP-SFYZADRCSA-N 1 0 200.282 0.360 10 0 BCAERO C[C@H]1CN(C(=O)COc2ccccc2)C[C@@H]1[NH3+] ZINC000235663734 177217654 /nfs/dbraw/zinc/21/76/54/177217654.db2.gz ICMJRCMLCXYCSO-JQWIXIFHSA-N 1 0 234.299 0.871 10 0 BCAERO C[C@@H](C[NH3+])C(=O)N1CCS[C@@H](C)C1 ZINC000123367192 177222502 /nfs/dbraw/zinc/22/25/02/177222502.db2.gz JNIWHORIPCVHRO-YUMQZZPRSA-N 1 0 202.323 0.545 10 0 BCAERO C[C@H]1CN(C(=O)[C@@H]2CCC[NH2+]C2)CCS1 ZINC000123356341 177223148 /nfs/dbraw/zinc/22/31/48/177223148.db2.gz UOICIJVLUKHSCX-VHSXEESVSA-N 1 0 228.361 0.950 10 0 BCAERO C[C@H]1CN(C(=O)[C@H]([NH3+])C(C)(C)C)CCCO1 ZINC000077472555 177223726 /nfs/dbraw/zinc/22/37/26/177223726.db2.gz CUZKIJVJLQAIAX-UWVGGRQHSA-N 1 0 228.336 0.997 10 0 BCAERO C[C@@H]1CN(C(=O)[C@H]2CCC[NH2+]C2)C[C@H](C)O1 ZINC000019412298 177224846 /nfs/dbraw/zinc/22/48/46/177224846.db2.gz HYWBZZHJNKSENM-AXFHLTTASA-N 1 0 226.320 0.622 10 0 BCAERO C[C@H]1CN(C(=O)c2cncs2)CC[NH2+]1 ZINC000219051485 177231251 /nfs/dbraw/zinc/23/12/51/177231251.db2.gz ABIYTGDFJIOYKD-ZETCQYMHSA-N 1 0 211.290 0.577 10 0 BCAERO C[C@H]1CN(C(=O)n2cc[n+](C)c2)[C@@H](C)CO1 ZINC000035788868 177232658 /nfs/dbraw/zinc/23/26/58/177232658.db2.gz BOVIDSGRFAUSCX-UWVGGRQHSA-N 1 0 224.284 0.390 10 0 BCAERO C[C@H]1CN(C)CCN1C(=O)C1([NH3+])CCCC1 ZINC000226402052 177233003 /nfs/dbraw/zinc/23/30/03/177233003.db2.gz CTQXBPHLJKKRHN-JTQLQIEISA-N 1 0 225.336 0.420 10 0 BCAERO C[C@H]1CN(CC(F)(F)F)[C@H](CO)C[NH2+]1 ZINC000062570512 177244658 /nfs/dbraw/zinc/24/46/58/177244658.db2.gz CHZIKXCAAKCIDL-BQBZGAKWSA-N 1 0 212.215 0.203 10 0 BCAERO C[C@H]1C[N@H+](CC(C)(C)O)C[C@@H]1N(C)C ZINC000124747662 177245634 /nfs/dbraw/zinc/24/56/34/177245634.db2.gz CUJQHAOXBDOEKB-UWVGGRQHSA-N 1 0 200.326 0.639 10 0 BCAERO C[C@@H]1CO[C@@H](C)CN1CCOC1CC[NH2+]CC1 ZINC000104390087 177253338 /nfs/dbraw/zinc/25/33/38/177253338.db2.gz DGNZICPDDPYPNT-NEPJUHHUSA-N 1 0 242.363 0.864 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)N1CCC[C@H]1COC ZINC000236907467 487637332 /nfs/dbraw/zinc/63/73/32/487637332.db2.gz BMFRBEVKHIDWPQ-VHSXEESVSA-N 1 0 214.309 0.751 10 0 BCAERO C[C@H]1CN(Cc2cc(C[NH3+])no2)CCO1 ZINC000052382561 177260110 /nfs/dbraw/zinc/26/01/10/177260110.db2.gz KQXWKNGBJSIJSY-QMMMGPOBSA-N 1 0 211.265 0.354 10 0 BCAERO C[C@@H]1CN([C@@H](C[NH3+])C2CCOCC2)C[C@H](C)O1 ZINC000052176507 177273446 /nfs/dbraw/zinc/27/34/46/177273446.db2.gz MYQSIIUFIQVQJN-LOWVWBTDSA-N 1 0 242.363 0.850 10 0 BCAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccnnc1 ZINC000245708804 177280365 /nfs/dbraw/zinc/28/03/65/177280365.db2.gz YEBUMYGRUOYNSO-JQWIXIFHSA-N 1 0 246.314 0.785 10 0 BCAERO C[C@H]1C[NH2+]CCN1CC(=O)c1ccc[nH]1 ZINC000095069594 177284019 /nfs/dbraw/zinc/28/40/19/177284019.db2.gz XWERGNIYOXNBEU-VIFPVBQESA-N 1 0 207.277 0.491 10 0 BCAERO C[C@H]1C[NH2+]C[C@@H]1C(=O)NCCc1ccc(O)cc1 ZINC000104227202 177285271 /nfs/dbraw/zinc/28/52/71/177285271.db2.gz ABWJRELVMWVQKA-GWCFXTLKSA-N 1 0 248.326 0.906 10 0 BCAERO C[C@@H]1CN(C[C@@H]2CCS(=O)(=O)C2)[C@@H](C)C[NH2+]1 ZINC000083085948 177286727 /nfs/dbraw/zinc/28/67/27/177286727.db2.gz BEBLDDJSCZLIHQ-VWYCJHECSA-N 1 0 246.376 0.103 10 0 BCAERO C[C@H]1COCCN1C(=O)CC1CC[NH2+]CC1 ZINC000035777903 177288971 /nfs/dbraw/zinc/28/89/71/177288971.db2.gz IGCKAQCZCGJRGV-JTQLQIEISA-N 1 0 226.320 0.623 10 0 BCAERO C[C@H]1COCCN1C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054290831 177289161 /nfs/dbraw/zinc/28/91/61/177289161.db2.gz MWUFISZYDURCEO-QWRGUYRKSA-N 1 0 226.320 0.623 10 0 BCAERO C[C@H]1COCCN1C(=O)C1([NH3+])CCCCC1 ZINC000035776487 177289188 /nfs/dbraw/zinc/28/91/88/177289188.db2.gz WUWMCNBIDHXGGF-JTQLQIEISA-N 1 0 226.320 0.895 10 0 BCAERO C[C@H]1COCCN1C(=O)C1([NH3+])CCCC1 ZINC000037479502 177289273 /nfs/dbraw/zinc/28/92/73/177289273.db2.gz GTXHDCLKNLTXNK-VIFPVBQESA-N 1 0 212.293 0.505 10 0 BCAERO C[C@@H]1CCC[C@@H](C(=O)N2CCOC[C@@H]2C)[C@@H]1[NH3+] ZINC000055127626 177289797 /nfs/dbraw/zinc/28/97/97/177289797.db2.gz XUYMMGLIDJVWOE-WRWGMCAJSA-N 1 0 240.347 0.997 10 0 BCAERO C[C@H]1COCCN1C(=O)[C@H]([NH3+])C(C)(C)C ZINC000077458861 177289997 /nfs/dbraw/zinc/28/99/97/177289997.db2.gz UBMVMLLVTVQKEB-IUCAKERBSA-N 1 0 214.309 0.607 10 0 BCAERO C[C@H]1COCCN1C(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000035776641 177290046 /nfs/dbraw/zinc/29/00/46/177290046.db2.gz MELKYENKQRROQJ-AAEUAGOBSA-N 1 0 248.326 0.804 10 0 BCAERO C[C@@H]([NH2+]C1CC1)C(=O)N1CCOC[C@@H]1C ZINC000335662437 177290201 /nfs/dbraw/zinc/29/02/01/177290201.db2.gz ITDKETARKSWORF-DTWKUNHWSA-N 1 0 212.293 0.374 10 0 BCAERO C[C@H]1COCCN1C(=O)[C@](C)([NH3+])C1CC1 ZINC000037479005 177290359 /nfs/dbraw/zinc/29/03/59/177290359.db2.gz SNGYFISNYLBWOT-GZMMTYOYSA-N 1 0 212.293 0.361 10 0 BCAERO C[C@H]1COCCN1Cc1cccnc1C[NH3+] ZINC000061656561 177291938 /nfs/dbraw/zinc/29/19/38/177291938.db2.gz AIJHIZNUHZPDPK-JTQLQIEISA-N 1 0 221.304 0.761 10 0 BCAERO C[C@H]1COCCN1Cc1cc(C[NH3+])co1 ZINC000052475971 177292885 /nfs/dbraw/zinc/29/28/85/177292885.db2.gz OPROWQOIGMPJFO-VIFPVBQESA-N 1 0 210.277 0.959 10 0 BCAERO C[C@H]1COCCN1[C@]1(C[NH3+])CN2CCC1CC2 ZINC000035774858 177293615 /nfs/dbraw/zinc/29/36/15/177293615.db2.gz QEWZNXUTPNDRMG-WCQYABFASA-N 1 0 239.363 0.130 10 0 BCAERO C[C@H]1COCCN1Cc1csc(C[NH3+])n1 ZINC000052475950 177293915 /nfs/dbraw/zinc/29/39/15/177293915.db2.gz XRJVAYJLVISIDE-QMMMGPOBSA-N 1 0 227.333 0.823 10 0 BCAERO C[C@H]1COC[C@H](C)N1C(=O)C1CC[NH2+]CC1 ZINC000237635620 177298676 /nfs/dbraw/zinc/29/86/76/177298676.db2.gz PFBUHBRMZBCZJG-UWVGGRQHSA-N 1 0 226.320 0.622 10 0 BCAERO C[C@H]1CSC(N[C@H]2CCS(=O)(=O)C2)=[NH+]1 ZINC000035294819 177303473 /nfs/dbraw/zinc/30/34/73/177303473.db2.gz VRYCSPATLXYGRR-BQBZGAKWSA-N 1 0 234.346 0.254 10 0 BCAERO C[C@H]1C[C@@H]([NH2+][C@@H]2CCCC[C@@H]2O)CN1C ZINC000089920308 177333940 /nfs/dbraw/zinc/33/39/40/177333940.db2.gz SWHWXBREZMEPNY-QCNOEVLYSA-N 1 0 212.337 0.972 10 0 BCAERO C[C@H]1C[C@H](C)CN([C@@H]2CS(=O)(=O)C[C@@H]2[NH3+])C1 ZINC000031990112 177358504 /nfs/dbraw/zinc/35/85/04/177358504.db2.gz ZVCHJKZJVPRDEI-XWLWVQCSSA-N 1 0 246.376 0.089 10 0 BCAERO C[C@H]1C[C@H]([NH3+])CC[C@@H]1C(=O)NCCCC(N)=O ZINC000055130570 177364472 /nfs/dbraw/zinc/36/44/72/177364472.db2.gz DVGLZKJXEFHEAG-AEJSXWLSSA-N 1 0 241.335 0.132 10 0 BCAERO C[C@H]1C[C@H]1NC(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000071221238 177385578 /nfs/dbraw/zinc/38/55/78/177385578.db2.gz IUPUIKBTYULTDF-WCBMZHEXSA-N 1 0 249.318 0.341 10 0 BCAERO C[C@H]1NC(=O)CC[C@H]1[NH2+]CCC(C)(C)O ZINC000309160187 177394242 /nfs/dbraw/zinc/39/42/42/177394242.db2.gz YPFURXJLQAXMBZ-RKDXNWHRSA-N 1 0 214.309 0.404 10 0 BCAERO C[C@H]1NC(=O)CC[C@H]1[NH2+]Cc1ccncc1 ZINC000282327497 177394443 /nfs/dbraw/zinc/39/44/43/177394443.db2.gz LIZFXHQMTXQSBY-MWLCHTKSSA-N 1 0 219.288 0.838 10 0 BCAERO C[C@H]1[NH2+]CCC[C@@H]1Nc1ccc(C(N)=O)nn1 ZINC000229598306 177395351 /nfs/dbraw/zinc/39/53/51/177395351.db2.gz WNLGLZORSVMWGZ-SFYZADRCSA-N 1 0 235.291 0.128 10 0 BCAERO C[C@H]1[NH2+]CCC[C@H]1Nc1ncnc2nc[nH]c21 ZINC000229607316 177396648 /nfs/dbraw/zinc/39/66/48/177396648.db2.gz TYWMEZVVDLORLL-HTQZYQBOSA-N 1 0 232.291 0.905 10 0 BCAERO C[C@H]1[C@H]([NH3+])CCN1C(=O)Cc1cccnc1 ZINC000309219795 177434646 /nfs/dbraw/zinc/43/46/46/177434646.db2.gz QGHNVDONOVXQBH-GXSJLCMTSA-N 1 0 219.288 0.572 10 0 BCAERO C[C@]1(C[NH2+]C2CC2)CCS(=O)(=O)C1 ZINC000054640636 177461995 /nfs/dbraw/zinc/46/19/95/177461995.db2.gz VBHUOCQGFFYTQW-SECBINFHSA-N 1 0 203.307 0.563 10 0 BCAERO Cc1c(C[NH2+]CCC2CC(O)C2)cnn1C ZINC000336699885 177590539 /nfs/dbraw/zinc/59/05/39/177590539.db2.gz NDQFXICOZRKHPA-UHFFFAOYSA-N 1 0 223.320 0.979 10 0 BCAERO Cc1c(C[NH2+][C@@H]2CCN(C)C2)cnn1C ZINC000086552003 177592250 /nfs/dbraw/zinc/59/22/50/177592250.db2.gz NPBCTNGEASGPNC-LLVKDONJSA-N 1 0 208.309 0.522 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)N1CCC([C@H](C)O)CC1 ZINC000232718370 487639874 /nfs/dbraw/zinc/63/98/74/487639874.db2.gz QCKGZZJIODHAHX-CMPLNLGQSA-N 1 0 242.363 0.979 10 0 BCAERO COC[C@@H]1CCCN1C(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000162819792 487642472 /nfs/dbraw/zinc/64/24/72/487642472.db2.gz PKGDJCYHOVVVBN-VWYCJHECSA-N 1 0 226.320 0.751 10 0 BCAERO CCC[C@H](O)C[N@@H+]1CC[C@@H](N(C)C)C1 ZINC000220139935 487647287 /nfs/dbraw/zinc/64/72/87/487647287.db2.gz QAAXKVANKACKSS-MNOVXSKESA-N 1 0 200.326 0.783 10 0 BCAERO O=C1NC[C@H](C[NH+]2CCC(CCCO)CC2)O1 ZINC000400982643 226352382 /nfs/dbraw/zinc/35/23/82/226352382.db2.gz WIBSIOZCCTYCNV-LLVKDONJSA-N 1 0 242.319 0.579 10 0 BCAERO C[C@H](C(=O)NC(C)(C)C)[N@@H+]1C[C@H](C)C[C@@H](O)C1 ZINC000401646361 226360810 /nfs/dbraw/zinc/36/08/10/226360810.db2.gz HZXXFVDBRDVREM-GMTAPVOTSA-N 1 0 242.363 0.992 10 0 BCAERO CCc1nnc(CN2C[C@@H](O)C[C@@H]2CO)s1 ZINC000680886476 487664914 /nfs/dbraw/zinc/66/49/14/487664914.db2.gz ORGQBFMXHSOOHJ-SFYZADRCSA-N 1 0 243.332 0.028 10 0 BCAERO CCN1CC[N@H+](CC2(O)CCC2)C[C@@H]1C ZINC000675069244 487667497 /nfs/dbraw/zinc/66/74/97/487667497.db2.gz SDJDJQXHWBACGW-NSHDSACASA-N 1 0 212.337 0.927 10 0 BCAERO CN1CCN(c2ccncc2Cl)[C@H](C[NH3+])C1 ZINC000087613843 487671972 /nfs/dbraw/zinc/67/19/72/487671972.db2.gz KBWLZJSMPQVEIT-SECBINFHSA-N 1 0 240.738 0.814 10 0 BCAERO COCCCC(=O)N1CC[C@@H]([NH3+])[C@@H]1C ZINC000308530661 487678535 /nfs/dbraw/zinc/67/85/35/487678535.db2.gz KRIUDERXNCKSKN-DTWKUNHWSA-N 1 0 200.282 0.361 10 0 BCAERO CC(=O)N[C@@H]1CC[N@H+](C[C@H]2CCC[C@H](O)C2)C1 ZINC000383884056 487678648 /nfs/dbraw/zinc/67/86/48/487678648.db2.gz KFIWRROXHTYWLJ-XQQFMLRXSA-N 1 0 240.347 0.748 10 0 BCAERO C[NH2+][C@H](C)C(=O)N1CCCSCC1 ZINC000054076546 487683668 /nfs/dbraw/zinc/68/36/68/487683668.db2.gz GMYCUROOZHDSEE-MRVPVSSYSA-N 1 0 202.323 0.560 10 0 BCAERO C[NH2+][C@H](C)C(=O)NCC[C@@H]1CCCO1 ZINC000054075694 487683860 /nfs/dbraw/zinc/68/38/60/487683860.db2.gz WKAMAGIFMFJJSF-BDAKNGLRSA-N 1 0 200.282 0.280 10 0 BCAERO COC[C@@H]([NH3+])C(=O)NCCc1nc(C)cs1 ZINC000088004271 487697516 /nfs/dbraw/zinc/69/75/16/487697516.db2.gz OZSZALDPCKRXHN-MRVPVSSYSA-N 1 0 243.332 0.084 10 0 BCAERO CCCN(CC(F)(F)F)C(=O)[C@@H]([NH3+])COC ZINC000088003256 487697555 /nfs/dbraw/zinc/69/75/55/487697555.db2.gz ZUFRWNRQNBVHKZ-ZETCQYMHSA-N 1 0 242.241 0.761 10 0 BCAERO COC[C@H]([NH3+])C(=O)NCc1csc(C)n1 ZINC000088003694 487698108 /nfs/dbraw/zinc/69/81/08/487698108.db2.gz MAHSPOPSLWUDJP-QMMMGPOBSA-N 1 0 229.305 0.041 10 0 BCAERO COC(=O)CCNC(=O)[C@H]1CCC[NH2+][C@@H]1C ZINC000395291057 262785906 /nfs/dbraw/zinc/78/59/06/262785906.db2.gz XQXBYMQEYGEUPV-BDAKNGLRSA-N 1 0 228.292 0.054 10 0 BCAERO OC1(C[NH2+]CC[C@@H]2CCCO2)CCOCC1 ZINC000088034096 487699027 /nfs/dbraw/zinc/69/90/27/487699027.db2.gz VEAJWZQXXKOVDU-NSHDSACASA-N 1 0 229.320 0.687 10 0 BCAERO C[NH2+][C@@H](C)C(=O)NC[C@H]1CCCC[C@H]1O ZINC000309036190 487699211 /nfs/dbraw/zinc/69/92/11/487699211.db2.gz GCLGCYPAJLZHAN-IVZWLZJFSA-N 1 0 214.309 0.262 10 0 BCAERO O[C@H]1CCCC[C@H]1[NH2+]CC1(O)CCOCC1 ZINC000088034305 487699391 /nfs/dbraw/zinc/69/93/91/487699391.db2.gz SLTSFRODHPMWRB-MNOVXSKESA-N 1 0 229.320 0.421 10 0 BCAERO CCOCCNC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000084309671 487705288 /nfs/dbraw/zinc/70/52/88/487705288.db2.gz APYILIZEHUPPFV-ZJUUUORDSA-N 1 0 214.309 0.514 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)NCC[NH2+]C2CC2)O1 ZINC000088142086 487705646 /nfs/dbraw/zinc/70/56/46/487705646.db2.gz AGIJXPDGWKAVHN-PSASIEDQSA-N 1 0 212.293 0.422 10 0 BCAERO CCN1CC[N@@H+]([C@@H]2CCC[C@H]2O)C[C@@H]1C ZINC000226286197 487706679 /nfs/dbraw/zinc/70/66/79/487706679.db2.gz ZKWXQYYCRGJXLU-QJPTWQEYSA-N 1 0 212.337 0.926 10 0 BCAERO CN(C)[C@@H]1CCC[N@@H+]([C@@H]2CCC[C@H]2O)C1 ZINC000226288005 487706850 /nfs/dbraw/zinc/70/68/50/487706850.db2.gz DZKUOGHKDWECPY-IJLUTSLNSA-N 1 0 212.337 0.926 10 0 BCAERO CC(C)(CO)C[NH2+]CC1(O)CCOCC1 ZINC000088175169 487708723 /nfs/dbraw/zinc/70/87/23/487708723.db2.gz JCFVUHUBVKROAG-UHFFFAOYSA-N 1 0 217.309 0.136 10 0 BCAERO O=C(C[C@H]1CCC[NH2+]C1)NCCn1ccnc1 ZINC000054291453 487709070 /nfs/dbraw/zinc/70/90/70/487709070.db2.gz OBYSMHSLFZRDIJ-LLVKDONJSA-N 1 0 236.319 0.389 10 0 BCAERO CC(=O)NCC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000226313534 487709753 /nfs/dbraw/zinc/70/97/53/487709753.db2.gz YALYZHWGYOXWLB-CHWSQXEVSA-N 1 0 240.347 0.748 10 0 BCAERO C[C@H]([NH3+])CC(=O)N1CCC([C@H](C)O)CC1 ZINC000226333041 487713093 /nfs/dbraw/zinc/71/30/93/487713093.db2.gz PDNKZRAUNZDDBT-IUCAKERBSA-N 1 0 214.309 0.343 10 0 BCAERO CCC[C@H]1C[C@H]1NC(=O)CN1CC[NH2+]CC1 ZINC000233371793 487713401 /nfs/dbraw/zinc/71/34/01/487713401.db2.gz YJVJHNZWHDOUPR-WDEREUQCSA-N 1 0 225.336 0.196 10 0 BCAERO C[C@H](NC(=O)COC1CC[NH2+]CC1)C1CC1 ZINC000082665870 487715133 /nfs/dbraw/zinc/71/51/33/487715133.db2.gz JCWSGBGRYKUZRR-VIFPVBQESA-N 1 0 226.320 0.670 10 0 BCAERO C[NH+](C)[C@@H]1CCN(C[C@H](O)C(F)(F)F)C1 ZINC000082680327 487719175 /nfs/dbraw/zinc/71/91/75/487719175.db2.gz XUGQLACOWJGMJQ-SFYZADRCSA-N 1 0 226.242 0.546 10 0 BCAERO C[C@@H]1CN(C(=O)[C@@]2(C)CCC[NH2+]2)C[C@H](C)O1 ZINC000163414212 487722831 /nfs/dbraw/zinc/72/28/31/487722831.db2.gz OXPWRGCCLAFYTN-JFGNBEQYSA-N 1 0 226.320 0.764 10 0 BCAERO CN1CCN(C(=O)[C@@H]2C[C@H]3C[C@H]3C2)[C@H](C[NH3+])C1 ZINC000250423333 487732178 /nfs/dbraw/zinc/73/21/78/487732178.db2.gz ZXQUYAWYGYMCHF-WRWGMCAJSA-N 1 0 237.347 0.134 10 0 BCAERO COC[C@@H]1CCN(C(=O)[C@H]2CCC[C@H]2C[NH3+])C1 ZINC000250446275 487733019 /nfs/dbraw/zinc/73/30/19/487733019.db2.gz CZAYVVDFDQLXKU-WOPDTQHZSA-N 1 0 240.347 0.856 10 0 BCAERO CC(C)[C@@H]([NH3+])CC(=O)N(C)C[C@@H]1CCOC1 ZINC000398913965 487737016 /nfs/dbraw/zinc/73/70/16/487737016.db2.gz IXXNKRPVFJMQDT-QWRGUYRKSA-N 1 0 228.336 0.855 10 0 BCAERO CC(C)[C@@H]([NH3+])CC(=O)N[C@H](CO)C1CCC1 ZINC000662853973 487739467 /nfs/dbraw/zinc/73/94/67/487739467.db2.gz QYUCTMMRBHSIFE-WDEREUQCSA-N 1 0 228.336 0.637 10 0 BCAERO CCCn1ncnc1Cn1cc(C(C)(C)[NH3+])nn1 ZINC000088619706 487739541 /nfs/dbraw/zinc/73/95/41/487739541.db2.gz ZCXSEZXZRDKDBG-UHFFFAOYSA-N 1 0 249.322 0.522 10 0 BCAERO C[C@]1(C(=O)NC[C@@H]2CCC[C@H]2O)CCC[NH2+]1 ZINC000250804356 487741452 /nfs/dbraw/zinc/74/14/52/487741452.db2.gz QGAOLHJNBWHZHD-HOSYDEDBSA-N 1 0 226.320 0.406 10 0 BCAERO NS(=O)(=O)CCC[N@@H+]1C[C@H]2CCC[C@H]21 ZINC000675498329 487742842 /nfs/dbraw/zinc/74/28/42/487742842.db2.gz POSPRURCEZJFLQ-RKDXNWHRSA-N 1 0 218.322 0.149 10 0 BCAERO C[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000250895039 487744187 /nfs/dbraw/zinc/74/41/87/487744187.db2.gz IBVVJHGKLKCGAH-CHWFTXMASA-N 1 0 208.305 0.853 10 0 BCAERO CC(C)[NH2+]CC(=O)N(C)C[C@H]1CCCO1 ZINC000042465896 487750075 /nfs/dbraw/zinc/75/00/75/487750075.db2.gz OJDUHGGNTRNDSO-SNVBAGLBSA-N 1 0 214.309 0.622 10 0 BCAERO [NH3+][C@@H]1CCC[C@@H]1C(=O)NC[C@@H]1CCCC[C@H]1O ZINC000251386104 487754646 /nfs/dbraw/zinc/75/46/46/487754646.db2.gz QOMTWWCSHBRQKV-NNYUYHANSA-N 1 0 240.347 0.781 10 0 BCAERO CC[N@@H+]1CC[C@@H](Nc2ncnc3c2ncn3C)C1 ZINC000665752109 487761448 /nfs/dbraw/zinc/76/14/48/487761448.db2.gz KYNBHFNRQWMHHT-SECBINFHSA-N 1 0 246.318 0.869 10 0 BCAERO CCc1nn(C)cc1CN1C[C@H]([NH3+])[C@@H](C)C1 ZINC000234128750 487763362 /nfs/dbraw/zinc/76/33/62/487763362.db2.gz AGHAYALISJTOIS-ONGXEEELSA-N 1 0 222.336 0.762 10 0 BCAERO O=C(C[C@@H]1CCC[NH2+]C1)NC[C@H]1CCC[C@@H]1O ZINC000089170069 487765229 /nfs/dbraw/zinc/76/52/29/487765229.db2.gz BNBFMPULSVWQTB-TUAOUCFPSA-N 1 0 240.347 0.653 10 0 BCAERO COC[C@H](O)C[NH2+]C[C@@H]1CCCC[C@@H]1O ZINC000082994672 487769496 /nfs/dbraw/zinc/76/94/96/487769496.db2.gz ZPYRBQNATIKOEJ-AXFHLTTASA-N 1 0 217.309 0.134 10 0 BCAERO C[C@@H](O)CCNC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000082996375 487769523 /nfs/dbraw/zinc/76/95/23/487769523.db2.gz PILKDNINHIWFTA-HLTSFMKQSA-N 1 0 200.282 0.001 10 0 BCAERO C[C@@H](O)CCNC(=O)C[C@H]1CCC[NH2+]C1 ZINC000082995865 487768962 /nfs/dbraw/zinc/76/89/62/487768962.db2.gz BDKQFHDUPWRUGI-NXEZZACHSA-N 1 0 214.309 0.263 10 0 BCAERO CCc1ncnc(NC[C@H]2COCC[NH2+]2)c1F ZINC000234192724 487770823 /nfs/dbraw/zinc/77/08/23/487770823.db2.gz RHHGSTYSCGASIS-QMMMGPOBSA-N 1 0 240.282 0.578 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N[C@H]1CCCC[C@@H]1O ZINC000227321989 487771462 /nfs/dbraw/zinc/77/14/62/487771462.db2.gz MGLPQFKYHUTRSZ-BJDJZHNGSA-N 1 0 240.347 0.781 10 0 BCAERO CCn1nc(C)cc1C(=O)N1C[C@H]([NH3+])[C@@H](C)C1 ZINC000234201758 487770929 /nfs/dbraw/zinc/77/09/29/487770929.db2.gz MVSYVQCRJUZVEO-WPRPVWTQSA-N 1 0 236.319 0.631 10 0 BCAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000178571009 487775358 /nfs/dbraw/zinc/77/53/58/487775358.db2.gz OVIIFSSMJVOJEF-MVCUBJFGSA-N 1 0 226.320 0.796 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)N1C[C@@H](C)OC[C@H]1C ZINC000251631421 487780205 /nfs/dbraw/zinc/78/02/05/487780205.db2.gz IKJQYMFWJKUINT-GMTAPVOTSA-N 1 0 228.336 0.996 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)N[C@@H]2CCC[NH2+][C@H]2C)O1 ZINC000251772540 487796650 /nfs/dbraw/zinc/79/66/50/487796650.db2.gz KTJKIYLPTPVARG-LMLFDSFASA-N 1 0 226.320 0.811 10 0 BCAERO COC[C@H]([NH3+])C(=O)N1CC[C@@H](C)C[C@H]1C ZINC000252126706 487816951 /nfs/dbraw/zinc/81/69/51/487816951.db2.gz KDUAKNZGJSVLLV-BBBLOLIVSA-N 1 0 214.309 0.607 10 0 BCAERO Cc1noc(CNC(=O)[C@@H]2CCC[C@H]2C[NH3+])n1 ZINC000089458164 487819819 /nfs/dbraw/zinc/81/98/19/487819819.db2.gz ZIGXTMZLIUFDSE-DTWKUNHWSA-N 1 0 238.291 0.369 10 0 BCAERO Cc1cc(CNC(=O)[C@H]2CCC[C@H]2C[NH3+])no1 ZINC000089460990 487823954 /nfs/dbraw/zinc/82/39/54/487823954.db2.gz BOMRFZASSSCSBK-ONGXEEELSA-N 1 0 237.303 0.974 10 0 BCAERO COc1ccc(C)cc1C[NH2+][C@@H]1CCNC1=O ZINC000676234738 487826231 /nfs/dbraw/zinc/82/62/31/487826231.db2.gz LYTAAQWSBKLFSR-LLVKDONJSA-N 1 0 234.299 0.982 10 0 BCAERO C([C@H]1CC[NH2+]C1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000227374844 487826387 /nfs/dbraw/zinc/82/63/87/487826387.db2.gz KMLKOMKZALRYPL-QWHCGFSZSA-N 1 0 223.364 0.766 10 0 BCAERO C[NH2+][C@H](C)CNC(=O)c1nn(C)c2ccccc21 ZINC000234436818 487827038 /nfs/dbraw/zinc/82/70/38/487827038.db2.gz SAVOURPMDFAFDD-SECBINFHSA-N 1 0 246.314 0.911 10 0 BCAERO C[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H]1CCC[C@H]1O ZINC000252616438 487827469 /nfs/dbraw/zinc/82/74/69/487827469.db2.gz ZUYXYJSTMAYZCV-XWLWVQCSSA-N 1 0 226.320 0.262 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)N[C@H]1CCO[C@H]1C ZINC000252738113 487831654 /nfs/dbraw/zinc/83/16/54/487831654.db2.gz CXRRDOWKYQQSKZ-AEJSXWLSSA-N 1 0 214.309 0.653 10 0 BCAERO C[C@]1(NC(=O)[C@@H]2CCC[C@H]2C[NH3+])CCOC1 ZINC000252776646 487832621 /nfs/dbraw/zinc/83/26/21/487832621.db2.gz OKUAJEUDRCGIME-UMNHJUIQSA-N 1 0 226.320 0.657 10 0 BCAERO CCC[C@H](C)NC(=O)[C@H]1C[C@@H](OC)C[NH2+]1 ZINC000226686783 487857528 /nfs/dbraw/zinc/85/75/28/487857528.db2.gz FTTUJXJLOWXOPP-IVZWLZJFSA-N 1 0 214.309 0.668 10 0 BCAERO CC[C@H](C)CN(C)C(=O)[C@H]1C[C@@H](OC)C[NH2+]1 ZINC000226687912 487857608 /nfs/dbraw/zinc/85/76/08/487857608.db2.gz OGRJVQCYIBPUJS-HBNTYKKESA-N 1 0 228.336 0.868 10 0 BCAERO CO[C@H]1C[NH2+][C@@H](C(=O)N2CCC[C@@H](C)C2)C1 ZINC000226686664 487857702 /nfs/dbraw/zinc/85/77/02/487857702.db2.gz VJSDWJASSQIANP-GMTAPVOTSA-N 1 0 226.320 0.622 10 0 BCAERO O=C(C[NH2+][C@@H]1CO[C@@H](C2CC2)C1)NC1CC1 ZINC000668172876 487862586 /nfs/dbraw/zinc/86/25/86/487862586.db2.gz VNYHMDPYFLYWGL-WDEREUQCSA-N 1 0 224.304 0.422 10 0 BCAERO CO[C@@H](CO)c1ccc(N2CC[NH2+]CC2)cc1 ZINC000146594729 487868292 /nfs/dbraw/zinc/86/82/92/487868292.db2.gz WQZWKXPYAGSGIT-ZDUSSCGKSA-N 1 0 236.315 0.776 10 0 BCAERO CC(C)[NH2+]CC(=O)NC[C@@H](O)C(F)(F)F ZINC000232664826 641329096 /nfs/dbraw/zinc/32/90/96/641329096.db2.gz SHHSNTUDCYDAND-ZCFIWIBFSA-N 1 0 228.214 0.024 10 0 BCAERO C[C@H]([NH3+])CC(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000224899606 487868532 /nfs/dbraw/zinc/86/85/32/487868532.db2.gz CTSOMZMMTSKGFR-CIUDSAMLSA-N 1 0 200.282 0.360 10 0 BCAERO CC(C)[C@@H]([NH3+])CC(=O)N1CCCOCC1 ZINC000129050360 487874705 /nfs/dbraw/zinc/87/47/05/487874705.db2.gz HLWUOICFTCJNMQ-JTQLQIEISA-N 1 0 214.309 0.609 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)NCCC2(C[NH3+])CC2)O1 ZINC000395926017 487883338 /nfs/dbraw/zinc/88/33/38/487883338.db2.gz JUHPSRHQBNLNDR-NXEZZACHSA-N 1 0 226.320 0.799 10 0 BCAERO COc1cc(C)nc(NC[C@H]2COCC[NH2+]2)n1 ZINC000234908349 487889900 /nfs/dbraw/zinc/88/99/00/487889900.db2.gz WLAVLGHABVSVEA-VIFPVBQESA-N 1 0 238.291 0.194 10 0 BCAERO CCN(C[C@@H]1CCOC1)C(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000091544646 487896945 /nfs/dbraw/zinc/89/69/45/487896945.db2.gz URFQZCSPJVLZNT-SRVKXCTJSA-N 1 0 240.347 0.999 10 0 BCAERO C[C@H](NC(=O)[C@H]1CCC[NH2+]1)[C@@H]1CCCO1 ZINC000157544434 487915048 /nfs/dbraw/zinc/91/50/48/487915048.db2.gz HSDGQMIVYIXKJI-AEJSXWLSSA-N 1 0 212.293 0.422 10 0 BCAERO COC[C@H](C)NC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000226753051 487920746 /nfs/dbraw/zinc/92/07/46/487920746.db2.gz CCZKCIKFHFTKGB-IVZWLZJFSA-N 1 0 214.309 0.655 10 0 BCAERO CN(C)[C@H]1CC[N@H+](CC2(O)CCCC2)C1 ZINC000083588072 487922213 /nfs/dbraw/zinc/92/22/13/487922213.db2.gz JVBRAPYDHFHVNJ-NSHDSACASA-N 1 0 212.337 0.927 10 0 BCAERO CC(C)n1cncc1C[NH2+][C@@H]1CCCNC1=O ZINC000090208991 487924413 /nfs/dbraw/zinc/92/44/13/487924413.db2.gz WHJGRFMKKMKMDE-LLVKDONJSA-N 1 0 236.319 0.832 10 0 BCAERO C[N@@H+]1CCC[C@@H]1C(=O)N1CCc2c[nH]nc2C1 ZINC000676791534 487928551 /nfs/dbraw/zinc/92/85/51/487928551.db2.gz XJYSPBIYYOPAKO-LLVKDONJSA-N 1 0 234.303 0.389 10 0 BCAERO CC(C)[C@@H](C)[NH2+]C[C@H](O)Cn1cccn1 ZINC000037885461 487936013 /nfs/dbraw/zinc/93/60/13/487936013.db2.gz LJNOCKQRVRXBGY-MNOVXSKESA-N 1 0 211.309 0.878 10 0 BCAERO C[C@@H]([NH2+]CC(C)(C)NS(C)(=O)=O)[C@H]1C[C@H]1C ZINC000322226546 487941911 /nfs/dbraw/zinc/94/19/11/487941911.db2.gz YPUCOLCPQPJHSD-BBBLOLIVSA-N 1 0 248.392 0.948 10 0 BCAERO [NH3+]C1(C(=O)NCCCC2CC2)CCOCC1 ZINC000159672643 323043556 /nfs/dbraw/zinc/04/35/56/323043556.db2.gz WVOCDTKGZNSZEN-UHFFFAOYSA-N 1 0 226.320 0.801 10 0 BCAERO [NH3+]C[C@@H]1CCCN1CCOC[C@H]1CCCO1 ZINC000570162298 323051520 /nfs/dbraw/zinc/05/15/20/323051520.db2.gz JPQDLTDQCLJXNF-NWDGAFQWSA-N 1 0 228.336 0.605 10 0 BCAERO CC(C)SCC(=O)N1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000570831848 323072087 /nfs/dbraw/zinc/07/20/87/323072087.db2.gz FMXCQCHTAIEKKC-BDAKNGLRSA-N 1 0 216.350 0.934 10 0 BCAERO C(CN1CC[C@@H]2OCC[NH2+][C@H]2C1)OCC1CC1 ZINC000563268934 323107158 /nfs/dbraw/zinc/10/71/58/323107158.db2.gz PIPCIIOMOCCPQE-STQMWFEESA-N 1 0 240.347 0.476 10 0 BCAERO CCN1C[C@@H]([NH2+]Cc2cnn(C)c2C)CC1=O ZINC000391489087 323107346 /nfs/dbraw/zinc/10/73/46/323107346.db2.gz ALNLEVMYPFFYDD-NSHDSACASA-N 1 0 236.319 0.439 10 0 BCAERO C[NH2+]CCNc1cc(NC2CC2)ncn1 ZINC000259008025 323146622 /nfs/dbraw/zinc/14/66/22/323146622.db2.gz QWZDSZNGQKIKKB-UHFFFAOYSA-N 1 0 207.281 0.682 10 0 BCAERO CC[C@H](O)C[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000398853547 323193853 /nfs/dbraw/zinc/19/38/53/323193853.db2.gz NKFJULOTTWGLHS-WHOHXGKFSA-N 1 0 213.321 0.850 10 0 BCAERO CC(C)CNC(=O)C[N@@H+]1C[C@H](O)CC[C@@H]1C ZINC000399254731 323202144 /nfs/dbraw/zinc/20/21/44/323202144.db2.gz QHMCULABSDWRCF-WDEREUQCSA-N 1 0 228.336 0.604 10 0 BCAERO CC(C)(C)[C@@H](O)C[NH2+]CC(C)(C)OCCO ZINC000309419747 323396411 /nfs/dbraw/zinc/39/64/11/323396411.db2.gz KBUMLKOFKIKVLE-JTQLQIEISA-N 1 0 233.352 0.771 10 0 BCAERO C[C@@H]([NH3+])C[C@@H](C)Nc1cnn(C)c(=O)c1Cl ZINC000320840220 323594405 /nfs/dbraw/zinc/59/44/05/323594405.db2.gz LBLRGMZUZZCALQ-RNFRBKRXSA-N 1 0 244.726 0.971 10 0 BCAERO CO[C@H]1C[NH2+][C@@H](C(=O)NCCC2CC2)C1 ZINC000083894497 487961202 /nfs/dbraw/zinc/96/12/02/487961202.db2.gz GGHKKXRPDJNXGF-NXEZZACHSA-N 1 0 212.293 0.280 10 0 BCAERO [NH3+]CC1(C(=O)NCCC2CC2)CCOCC1 ZINC000083894068 487961895 /nfs/dbraw/zinc/96/18/95/487961895.db2.gz NTURIFHMBLQTLM-UHFFFAOYSA-N 1 0 226.320 0.658 10 0 BCAERO CC1(C)OCC[C@@]12[NH2+]CCc1nc[nH]c12 ZINC000400421530 323949793 /nfs/dbraw/zinc/94/97/93/323949793.db2.gz XWXFEIHZWIEMOB-NSHDSACASA-N 1 0 207.277 0.950 10 0 BCAERO Nc1cc(F)ccc1OCC1=[NH+]CCN1 ZINC000536952131 323958060 /nfs/dbraw/zinc/95/80/60/323958060.db2.gz BKWDLPIRCGACIH-UHFFFAOYSA-N 1 0 209.224 0.788 10 0 BCAERO CC(C)(C)OC(=O)[C@H]1COCC[C@H]1[NH3+] ZINC000536954820 323964232 /nfs/dbraw/zinc/96/42/32/323964232.db2.gz QISXINKYFFEIDU-JGVFFNPUSA-N 1 0 201.266 0.692 10 0 BCAERO C[N@H+](C[C@H]1CNC(=O)O1)CC1(O)CCCC1 ZINC000162820176 324113877 /nfs/dbraw/zinc/11/38/77/324113877.db2.gz DFBAQHAFPMRASM-SECBINFHSA-N 1 0 228.292 0.332 10 0 BCAERO c1cc(CN2CCO[C@H]3C[NH2+]C[C@H]32)co1 ZINC000253596063 324191780 /nfs/dbraw/zinc/19/17/80/324191780.db2.gz MSDLFZVARRXVNE-MNOVXSKESA-N 1 0 208.261 0.452 10 0 BCAERO OC[C@@H]1C[NH+](C[C@H]2CC=CCC2)C[C@H]1CO ZINC000529639611 324368626 /nfs/dbraw/zinc/36/86/26/324368626.db2.gz PBIUHIULFARZLA-AVGNSLFASA-N 1 0 225.332 0.875 10 0 BCAERO CO[C@H]1CCN(C(=O)C2CCC([NH3+])CC2)C1 ZINC000083916859 487966487 /nfs/dbraw/zinc/96/64/87/487966487.db2.gz CMHDTCICQNKCAH-ILDUYXDCSA-N 1 0 226.320 0.751 10 0 BCAERO O=C(C[C@@H]1CCC[NH2+]C1)NCc1ncc[nH]1 ZINC000070646666 325020043 /nfs/dbraw/zinc/02/00/43/325020043.db2.gz GNGLLSNVSHKIBT-VIFPVBQESA-N 1 0 222.292 0.416 10 0 BCAERO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)c3nc[nH]n3)C[C@H]21 ZINC000130685688 325079937 /nfs/dbraw/zinc/07/99/37/325079937.db2.gz KNEFRWSUELXOCN-IWSPIJDZSA-N 1 0 235.291 0.004 10 0 BCAERO C[C@]1(C(=O)N2CCn3cnnc3C2)CCCC[NH2+]1 ZINC000133486539 325296851 /nfs/dbraw/zinc/29/68/51/325296851.db2.gz KNGDXTTXCTZQKD-GFCCVEGCSA-N 1 0 249.318 0.153 10 0 BCAERO C[C@@H](CS(C)(=O)=O)[NH2+][C@@H]1CCO[C@@H]1C ZINC000134393596 325356835 /nfs/dbraw/zinc/35/68/35/325356835.db2.gz OOIOHSPMPUPHEB-DJLDLDEBSA-N 1 0 221.322 0.187 10 0 BCAERO CCOc1nccnc1N1CC[NH2+]CC1 ZINC000080498718 325481576 /nfs/dbraw/zinc/48/15/76/325481576.db2.gz NWYLHMDKOUDCHB-UHFFFAOYSA-N 1 0 208.265 0.285 10 0 BCAERO CSC[C@H](O)C[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000249444348 325649784 /nfs/dbraw/zinc/64/97/84/325649784.db2.gz KTAZYWJIZDEMBX-AEJSXWLSSA-N 1 0 219.350 0.867 10 0 BCAERO COC(=O)[C@H](C)CNC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000262633130 325906932 /nfs/dbraw/zinc/90/69/32/325906932.db2.gz XKCQOVNEVXVXOO-HLTSFMKQSA-N 1 0 228.292 0.039 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N1CCC(OC(C)C)CC1 ZINC000566190350 326009315 /nfs/dbraw/zinc/00/93/15/326009315.db2.gz SVHUSACUUSFCQV-LLVKDONJSA-N 1 0 244.335 0.376 10 0 BCAERO CCc1nnc(CN2[C@H](C)C[NH2+]C[C@@H]2C)n1C ZINC000566243825 326021491 /nfs/dbraw/zinc/02/14/91/326021491.db2.gz CRKCUHKPTIKTQP-AOOOYVTPSA-N 1 0 237.351 0.560 10 0 BCAERO CCc1nnc(CN2CC[NH2+][C@H](C)[C@H]2C)n1C ZINC000566246558 326023598 /nfs/dbraw/zinc/02/35/98/326023598.db2.gz NZOMNYOFDQCFES-NXEZZACHSA-N 1 0 237.351 0.560 10 0 BCAERO Cc1cncc(C(=O)N2CCO[C@@H]3C[NH2+]C[C@@H]32)c1 ZINC000566295211 326029817 /nfs/dbraw/zinc/02/98/17/326029817.db2.gz KPKZXBMPRKYQNK-NWDGAFQWSA-N 1 0 247.298 0.203 10 0 BCAERO Cc1nsc(NC(=O)[C@@H]2C[NH2+]C[C@H]2C)n1 ZINC000163206663 326094141 /nfs/dbraw/zinc/09/41/41/326094141.db2.gz GCKUKLNHOAHFSW-IYSWYEEDSA-N 1 0 226.305 0.641 10 0 BCAERO CO[C@H]1C[NH2+][C@@H](C(=O)Nc2cccc(C)n2)C1 ZINC000309850280 326171393 /nfs/dbraw/zinc/17/13/93/326171393.db2.gz VZPPQYKAHHZXLL-NXEZZACHSA-N 1 0 235.287 0.705 10 0 BCAERO CCC[C@@H](C(=O)NCC1(C)COC1)[NH+](C)C ZINC000157284453 326265782 /nfs/dbraw/zinc/26/57/82/326265782.db2.gz XZGMRBJMEYNPLV-JTQLQIEISA-N 1 0 228.336 0.869 10 0 BCAERO [NH3+][C@H]1CC[C@H](C(=O)N2CC[C@@H]3OCC[C@@H]3C2)C1 ZINC000567927057 326284485 /nfs/dbraw/zinc/28/44/85/326284485.db2.gz TVQJPRCRMLMTSP-USZNOCQGSA-N 1 0 238.331 0.751 10 0 BCAERO CCC[C@H](C(=O)NCC(=O)NC1CC1)[NH+](C)C ZINC000159167944 326351591 /nfs/dbraw/zinc/35/15/91/326351591.db2.gz PMFRJRIRYZVGRU-SNVBAGLBSA-N 1 0 241.335 0.112 10 0 BCAERO CC(C)n1nnnc1CN1C[C@@H](C[NH3+])C[C@@H]1C ZINC000568765620 326376550 /nfs/dbraw/zinc/37/65/50/326376550.db2.gz OVKYZGRACXGRSR-VHSXEESVSA-N 1 0 238.339 0.423 10 0 BCAERO COC[C@H](C)[NH2+]CC(=O)N(C)c1nccs1 ZINC000309499352 487978469 /nfs/dbraw/zinc/97/84/69/487978469.db2.gz ZGZYVETUVMMAFF-QMMMGPOBSA-N 1 0 243.332 0.730 10 0 BCAERO CN(C)S(=O)(=O)Cc1ccc(C[NH3+])cc1 ZINC000020556185 487979509 /nfs/dbraw/zinc/97/95/09/487979509.db2.gz XTCNSZJBZXTDLJ-UHFFFAOYSA-N 1 0 228.317 0.537 10 0 BCAERO COC[C@H](C)NC(=O)CC[C@@H]1CC[NH2+]C1 ZINC000134465472 487983868 /nfs/dbraw/zinc/98/38/68/487983868.db2.gz GCMFSCWYTGEHOR-VHSXEESVSA-N 1 0 214.309 0.527 10 0 BCAERO COC(C)(C)CNC(=O)C[C@@H]([NH3+])C(C)C ZINC000159171665 487997791 /nfs/dbraw/zinc/99/77/91/487997791.db2.gz GBACIVVZZZEHIB-SECBINFHSA-N 1 0 216.325 0.901 10 0 BCAERO CCOc1cc(N2CC[C@@H](C[NH3+])C2)nc(C)n1 ZINC000090787833 488000568 /nfs/dbraw/zinc/00/05/68/488000568.db2.gz LYCLPESOJKQQMF-JTQLQIEISA-N 1 0 236.319 0.969 10 0 BCAERO C[C@@H]1CSC[C@H]1[NH2+]C[C@@H]1CC(=O)N(C)C1 ZINC000668616680 488010368 /nfs/dbraw/zinc/01/03/68/488010368.db2.gz PAVSBXOGHTWFRB-KXUCPTDWSA-N 1 0 228.361 0.806 10 0 BCAERO N#Cc1ccc(N2CCC(CC[NH3+])CC2)nn1 ZINC000396871770 488016482 /nfs/dbraw/zinc/01/64/82/488016482.db2.gz AOZCHVPPUALYIG-UHFFFAOYSA-N 1 0 231.303 0.913 10 0 BCAERO CCOCCCN1CCOC[C@@H]1CO ZINC000159281049 488019889 /nfs/dbraw/zinc/01/98/89/488019889.db2.gz IOJZYJOLCBUOQR-JTQLQIEISA-N 1 0 203.282 0.106 10 0 BCAERO Cc1cnn(CCNC(=O)C[C@H]2CC[NH2+]C2)c1 ZINC000235937393 488032035 /nfs/dbraw/zinc/03/20/35/488032035.db2.gz ZYBBMWHVBGDVLE-LLVKDONJSA-N 1 0 236.319 0.307 10 0 BCAERO Cc1cnn(CC[NH2+][C@@H]2CCCNC(=O)C2)c1 ZINC000235953451 488032664 /nfs/dbraw/zinc/03/26/64/488032664.db2.gz JJEGMDQIIOYCTD-LLVKDONJSA-N 1 0 236.319 0.450 10 0 BCAERO OC[C@@H]1CSCC[N@@H+]1C[C@H]1CCC[C@H](O)C1 ZINC000388201174 488034225 /nfs/dbraw/zinc/03/42/25/488034225.db2.gz SUHLVSAVKGBDCQ-TUAOUCFPSA-N 1 0 245.388 0.947 10 0 BCAERO CC(C)[C@H](C)[N@@H+]1CCC[C@@](O)(C(N)=O)C1 ZINC000318959133 488036803 /nfs/dbraw/zinc/03/68/03/488036803.db2.gz FAXGMGRRCGJYKB-ONGXEEELSA-N 1 0 214.309 0.343 10 0 BCAERO Cc1nnsc1C(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000084212615 488037700 /nfs/dbraw/zinc/03/77/00/488037700.db2.gz UQNNPVRQZCLFCP-JGVFFNPUSA-N 1 0 240.332 0.704 10 0 BCAERO CCN1CCO[C@@H](C[NH2+][C@@H]2COC(C)(C)C2)C1 ZINC000396864169 488041466 /nfs/dbraw/zinc/04/14/66/488041466.db2.gz SRGOOSJVQQVHBH-RYUDHWBXSA-N 1 0 242.363 0.864 10 0 BCAERO CN(C)C(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000401601402 488042112 /nfs/dbraw/zinc/04/21/12/488042112.db2.gz FDFVIFPICLGGEA-GHMZBOCLSA-N 1 0 241.335 0.199 10 0 BCAERO CCN1CCO[C@@H](C[NH2+][C@H]2COC(C)(C)C2)C1 ZINC000396864167 488041868 /nfs/dbraw/zinc/04/18/68/488041868.db2.gz SRGOOSJVQQVHBH-NEPJUHHUSA-N 1 0 242.363 0.864 10 0 BCAERO CN1CCN(C(=O)[C@H]2CCC[C@H]2C[NH3+])CC1 ZINC000084308551 488042288 /nfs/dbraw/zinc/04/22/88/488042288.db2.gz JOABIALIKKYGQS-QWRGUYRKSA-N 1 0 225.336 0.135 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N1CCCOCC1 ZINC000084310796 488044627 /nfs/dbraw/zinc/04/46/27/488044627.db2.gz ARZSGXKLSGGWOH-QWRGUYRKSA-N 1 0 226.320 0.610 10 0 BCAERO O=C(C[C@H]1CC[NH2+]C1)NCC[C@H]1CCCO1 ZINC000084382489 488048336 /nfs/dbraw/zinc/04/83/36/488048336.db2.gz FFSLNVAJGZJIGK-GHMZBOCLSA-N 1 0 226.320 0.671 10 0 BCAERO CCN(C)C(=O)[C@@H](C)[NH2+]C[C@H](O)C(C)(C)C ZINC000304194095 488050896 /nfs/dbraw/zinc/05/08/96/488050896.db2.gz BAEVBYMPWQQAHI-ZJUUUORDSA-N 1 0 230.352 0.850 10 0 BCAERO C[C@H]1C[C@H](O)C[N@H+](CCCC(=O)N(C)C)C1 ZINC000401775468 488065373 /nfs/dbraw/zinc/06/53/73/488065373.db2.gz YSMANMIBADUHQC-QWRGUYRKSA-N 1 0 228.336 0.558 10 0 BCAERO C[C@]1(C(=O)N[C@@H]2CCC[C@H](O)C2)CCCC[NH2+]1 ZINC000136169201 488083230 /nfs/dbraw/zinc/08/32/30/488083230.db2.gz CEXGZWUVMBGOAB-NTZNESFSSA-N 1 0 240.347 0.938 10 0 BCAERO C[NH+](C)[C@H]1CCN(C(=O)CCCCO)C1 ZINC000092174836 488085883 /nfs/dbraw/zinc/08/58/83/488085883.db2.gz KMQOXJMPQLJLJP-JTQLQIEISA-N 1 0 214.309 0.312 10 0 BCAERO Nc1ccc(C[N@@H+]2CC[C@H](CCO)C2)cn1 ZINC000159777552 488088195 /nfs/dbraw/zinc/08/81/95/488088195.db2.gz RQRRENDOFUWBKL-SNVBAGLBSA-N 1 0 221.304 0.868 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)N1C[C@@H](C)OC[C@@H]1C ZINC000228479103 488096877 /nfs/dbraw/zinc/09/68/77/488096877.db2.gz IKJQYMFWJKUINT-HBNTYKKESA-N 1 0 228.336 0.996 10 0 BCAERO CCCN(CC(=O)NC)C(=O)C[C@@H]([NH3+])C(C)C ZINC000136412395 488101595 /nfs/dbraw/zinc/10/15/95/488101595.db2.gz UJBQQPOFWZTHGT-SNVBAGLBSA-N 1 0 243.351 0.344 10 0 BCAERO CC[C@H]1C(=O)NCCN1C(=O)C[C@H]([NH3+])C(C)C ZINC000136462698 488103407 /nfs/dbraw/zinc/10/34/07/488103407.db2.gz ZVCSKEPPSNVUSB-UWVGGRQHSA-N 1 0 241.335 0.097 10 0 BCAERO COCC[NH2+]C[C@@H]1CCO[C@H]1c1cnn(C)c1 ZINC000092882560 488103924 /nfs/dbraw/zinc/10/39/24/488103924.db2.gz MAOJUKDQUQNIAX-CMPLNLGQSA-N 1 0 239.319 0.734 10 0 BCAERO C[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H]1CCCC[C@@H]1O ZINC000092957275 488104712 /nfs/dbraw/zinc/10/47/12/488104712.db2.gz CJUPCCVTDSXBSC-BJDJZHNGSA-N 1 0 240.347 0.652 10 0 BCAERO CC(C)[C@@H]([NH3+])CC(=O)NCCc1cnn(C)c1 ZINC000136492300 488105950 /nfs/dbraw/zinc/10/59/50/488105950.db2.gz WFJPPEFQNPBLOB-NSHDSACASA-N 1 0 238.335 0.452 10 0 BCAERO C[C@H](C(=O)NC[C@@H]1C[NH2+]C[C@@H]1O)C(C)(C)C ZINC000262348071 488114143 /nfs/dbraw/zinc/11/41/43/488114143.db2.gz UFQDSCLZQNVVON-UTLUCORTSA-N 1 0 228.336 0.365 10 0 BCAERO CN(C[C@@H]1CC[C@@H]2C[C@@H]2C1)[C@H]1C[NH2+]C[C@@H]1O ZINC000403159459 488115808 /nfs/dbraw/zinc/11/58/08/488115808.db2.gz FWEHSHSRLLZTAZ-BNDIWNMDSA-N 1 0 224.348 0.687 10 0 BCAERO C[C@@H]([NH3+])CC(=O)N1CCCC[C@H]1CO ZINC000037476349 518177618 /nfs/dbraw/zinc/17/76/18/518177618.db2.gz OPEPGBKJUGGWNZ-BDAKNGLRSA-N 1 0 200.282 0.097 10 0 BCAERO C[C@H]([NH2+]C[C@@H]1CNC(=O)O1)c1cnn(C)c1 ZINC000381294511 488118065 /nfs/dbraw/zinc/11/80/65/488118065.db2.gz FVHVJAZRSCOLEQ-IONNQARKSA-N 1 0 224.264 0.179 10 0 BCAERO CN(Cc1ncc[nH]1)C(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000085013740 488122016 /nfs/dbraw/zinc/12/20/16/488122016.db2.gz BRNUSZXLFZVXCN-IUCAKERBSA-N 1 0 222.292 0.496 10 0 BCAERO O=C(NC[C@@H]1CC[NH2+]C1)NC[C@@H]1CCCO1 ZINC000258678251 488126815 /nfs/dbraw/zinc/12/68/15/488126815.db2.gz TUHCNKCUGZGPRG-ZJUUUORDSA-N 1 0 227.308 0.074 10 0 BCAERO [NH3+]Cc1ccc(C(=O)NC[C@H]2CCC[C@H]2O)o1 ZINC000094572914 487544022 /nfs/dbraw/zinc/54/40/22/487544022.db2.gz PKXVRTFCRPNESL-PSASIEDQSA-N 1 0 238.287 0.629 10 0 BCAERO [NH3+]C[C@@H]1CCCN1C(=O)c1ccc[nH]c1=O ZINC000168859616 487547767 /nfs/dbraw/zinc/54/77/67/487547767.db2.gz TZTKSCHNSQSMGT-QMMMGPOBSA-N 1 0 221.260 0.351 10 0 BCAERO C[NH2+][C@@H](C)C(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000227155652 487555599 /nfs/dbraw/zinc/55/55/99/487555599.db2.gz HDRZOBKVBSRWOT-AXFHLTTASA-N 1 0 226.320 0.764 10 0 BCAERO C[NH2+][C@H](C)C(=O)N[C@H]1CCC[C@@H](O)C1 ZINC000227152751 487555844 /nfs/dbraw/zinc/55/58/44/487555844.db2.gz AFUBVCXAZXQQMS-HRDYMLBCSA-N 1 0 200.282 0.014 10 0 BCAERO C[NH2+][C@@H](C)C(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000227155640 487555972 /nfs/dbraw/zinc/55/59/72/487555972.db2.gz HDRZOBKVBSRWOT-HBNTYKKESA-N 1 0 226.320 0.764 10 0 BCAERO C[C@H](O)CCNC(=O)c1ccccc1CC[NH3+] ZINC000085990064 487471080 /nfs/dbraw/zinc/47/10/80/487471080.db2.gz YNJSKCGGUWDTRD-JTQLQIEISA-N 1 0 236.315 0.689 10 0 BCAERO C[C@H](O)CC[NH2+]C[C@@H](O)COc1ccccc1 ZINC000086014019 487472901 /nfs/dbraw/zinc/47/29/01/487472901.db2.gz WEULGQLUULXZTO-NWDGAFQWSA-N 1 0 239.315 0.787 10 0 BCAERO C[NH2+]CCC(=O)N[C@@H](C)c1ncc(C)o1 ZINC000231743799 487472918 /nfs/dbraw/zinc/47/29/18/487472918.db2.gz WBGDLDYLXMGWCZ-QMMMGPOBSA-N 1 0 211.265 0.770 10 0 BCAERO CC(C)[C@@H](CO)NC(=O)[C@H]1CCC[NH2+]C1 ZINC000086124961 487484987 /nfs/dbraw/zinc/48/49/87/487484987.db2.gz YLZRIDCLRSHSMY-VHSXEESVSA-N 1 0 214.309 0.119 10 0 BCAERO COC[C@@H](C)NC[C@H](O)C[N@H+](C)C(C)C ZINC000308791175 487494153 /nfs/dbraw/zinc/49/41/53/487494153.db2.gz BBRGUJAIRFWXAD-MNOVXSKESA-N 1 0 218.341 0.312 10 0 BCAERO C[C@@H]1CN(C(=O)[C@@H]2C[C@H]3C[C@H]3C2)C[C@H]1[NH3+] ZINC000300050268 487499284 /nfs/dbraw/zinc/49/92/84/487499284.db2.gz YCNPQLHGXQLEET-KAMPLNKDSA-N 1 0 208.305 0.838 10 0 BCAERO COC[C@H](C)C(=O)N1CC[C@@H]([NH3+])C[C@H]1C ZINC000381338697 487505111 /nfs/dbraw/zinc/50/51/11/487505111.db2.gz WSQQVGDMWQTXMC-IVZWLZJFSA-N 1 0 214.309 0.607 10 0 BCAERO CC[C@@H](NC(=O)COCC[NH3+])C(C)C ZINC000086434789 487505017 /nfs/dbraw/zinc/50/50/17/487505017.db2.gz HROBBIXNYWQHNH-SECBINFHSA-N 1 0 202.298 0.513 10 0 BCAERO C[C@H](N[C@@H]1CC[NH2+]C1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000094085868 487512606 /nfs/dbraw/zinc/51/26/06/487512606.db2.gz KVYHZGXDHGFTEJ-WCBMZHEXSA-N 1 0 246.314 0.869 10 0 BCAERO O=C(CC[C@@H]1CC[NH2+]C1)N[C@H]1CCC[C@@H](O)C1 ZINC000134487055 487508379 /nfs/dbraw/zinc/50/83/79/487508379.db2.gz FCQRPYHGJQQSKV-GRYCIOLGSA-N 1 0 240.347 0.796 10 0 BCAERO OC[C@H]1COCC[N@@H+]1CCC1CCOCC1 ZINC000381498495 487510450 /nfs/dbraw/zinc/51/04/50/487510450.db2.gz NPCOEUBPJFOMAM-LBPRGKRZSA-N 1 0 229.320 0.496 10 0 BCAERO C[N@H+](CCOCCO)C[C@@H]1CCC[C@@H](O)C1 ZINC000381648392 487517534 /nfs/dbraw/zinc/51/75/34/487517534.db2.gz QYNGDAPQKDCFBO-VXGBXAGGSA-N 1 0 231.336 0.478 10 0 BCAERO CC(C)[C@H](NC(=O)[C@@H]1COCCN1)C1CC1 ZINC000324097363 487521794 /nfs/dbraw/zinc/52/17/94/487521794.db2.gz IJDKIMJPXYGSEC-QWRGUYRKSA-N 1 0 226.320 0.526 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)NCCNC(=O)C1CC1 ZINC000160767780 488162085 /nfs/dbraw/zinc/16/20/85/488162085.db2.gz FXLDBRKTIBEBJQ-SNVBAGLBSA-N 1 0 241.335 0.002 10 0 BCAERO Cc1nnc2n1C[C@@H]([NH2+][C@@H]1CCSC1)CC2 ZINC000309869154 490089608 /nfs/dbraw/zinc/08/96/08/490089608.db2.gz PTZPJMIGDRKTGM-VHSXEESVSA-N 1 0 238.360 0.996 10 0 BCAERO CN(C[C@H](O)C[NH2+]C[C@H](O)C(C)(C)C)C1CC1 ZINC000324238152 487562219 /nfs/dbraw/zinc/56/22/19/487562219.db2.gz AKLREDSGRMPJAL-NEPJUHHUSA-N 1 0 244.379 0.438 10 0 BCAERO O=C(N[C@@H]1CCC[NH2+]C1)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000252476095 487825217 /nfs/dbraw/zinc/82/52/17/487825217.db2.gz DLBCUMOUHBAVET-LMLFDSFASA-N 1 0 208.305 0.901 10 0 BCAERO CC[C@@H]1CN(C(=O)[C@@H](C)[NH2+]C)[C@@H](C)CO1 ZINC000403761968 488136045 /nfs/dbraw/zinc/13/60/45/488136045.db2.gz OSSFYXXXDSILCG-IVZWLZJFSA-N 1 0 214.309 0.620 10 0 BCAERO C[C@H](CO)[N@H+](C)C[C@@H]1CCC[C@@H](O)C1 ZINC000379641804 488145265 /nfs/dbraw/zinc/14/52/65/488145265.db2.gz VPFOOSQYPBBUOX-GMTAPVOTSA-N 1 0 201.310 0.850 10 0 BCAERO C[N@@H+]1CCC[C@H]1CN1CCSC[C@@H]1CO ZINC000379805356 488150287 /nfs/dbraw/zinc/15/02/87/488150287.db2.gz UTNYHQAHBYUSAF-QWRGUYRKSA-N 1 0 230.377 0.490 10 0 BCAERO Cn1nccc1CCN1CCC[C@H]1C[NH3+] ZINC000230764214 488155926 /nfs/dbraw/zinc/15/59/26/488155926.db2.gz GSNUJEUAIULWQV-NSHDSACASA-N 1 0 208.309 0.386 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N1CCCc2n[nH]cc2C1 ZINC000404728170 488176312 /nfs/dbraw/zinc/17/63/12/488176312.db2.gz PFIPRCVLNMUPFN-JTQLQIEISA-N 1 0 236.319 0.812 10 0 BCAERO CCNC(=O)CN(C)C(=O)[C@]1(C)CCCC[NH2+]1 ZINC000136176993 488176569 /nfs/dbraw/zinc/17/65/69/488176569.db2.gz SJKAMAHZSMSLRQ-LBPRGKRZSA-N 1 0 241.335 0.113 10 0 BCAERO CCOc1cc(N(C)CC[NH3+])nc(C)n1 ZINC000085484105 488177562 /nfs/dbraw/zinc/17/75/62/488177562.db2.gz ODAOXLXVCBSVFB-UHFFFAOYSA-N 1 0 210.281 0.579 10 0 BCAERO NC(=O)[C@@]1(O)CCC[N@H+](CCC2CCC2)C1 ZINC000398476597 488218026 /nfs/dbraw/zinc/21/80/26/488218026.db2.gz RPAPDRCVHILQTG-GFCCVEGCSA-N 1 0 226.320 0.489 10 0 BCAERO C[C@H]1CC[C@H](O)C[N@@H+]1CCCC(=O)N(C)C ZINC000399253539 488228624 /nfs/dbraw/zinc/22/86/24/488228624.db2.gz PTAMYGVSSAWIOD-QWRGUYRKSA-N 1 0 228.336 0.700 10 0 BCAERO COC[C@H](C)C(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000157749974 490102313 /nfs/dbraw/zinc/10/23/13/490102313.db2.gz AYKKNFWHBDYZDY-AEJSXWLSSA-N 1 0 214.309 0.513 10 0 BCAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)NCCCCO ZINC000233969150 490125676 /nfs/dbraw/zinc/12/56/76/490125676.db2.gz OTJMEOUAIIJNNO-RKDXNWHRSA-N 1 0 202.298 0.249 10 0 BCAERO Cc1nsc(NC[C@@H]2COCC[NH2+]2)n1 ZINC000235976485 490185306 /nfs/dbraw/zinc/18/53/06/490185306.db2.gz SWFRNINJCYFJPI-SSDOTTSWSA-N 1 0 214.294 0.247 10 0 BCAERO CC[C@@H]([NH3+])C(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000084200622 490380278 /nfs/dbraw/zinc/38/02/78/490380278.db2.gz VZFYAYWGLGUPEO-GMTAPVOTSA-N 1 0 226.320 0.894 10 0 BCAERO CC[C@H](NC(=O)[C@H]1CCC[NH2+]C1)C(=O)OC ZINC000152704694 490425099 /nfs/dbraw/zinc/42/50/99/490425099.db2.gz DVMDFIBWXKTUJZ-IUCAKERBSA-N 1 0 228.292 0.054 10 0 BCAERO CC(C)(C)[C@H](O)CNC(=O)C[C@@H]1CC[NH2+]C1 ZINC000324492843 491105315 /nfs/dbraw/zinc/10/53/15/491105315.db2.gz JHEQXMZQNKLYNA-VHSXEESVSA-N 1 0 228.336 0.509 10 0 BCAERO CCOc1cc(N(CC)CC[NH3+])ncn1 ZINC000085483175 491123272 /nfs/dbraw/zinc/12/32/72/491123272.db2.gz MPWXSDBOBBAWTA-UHFFFAOYSA-N 1 0 210.281 0.660 10 0 BCAERO C[C@H]1NC(=O)CC[C@H]1[NH2+]Cc1cn[nH]c1 ZINC000309110999 491144905 /nfs/dbraw/zinc/14/49/05/491144905.db2.gz JRGVITLBTDWMKL-VXNVDRBHSA-N 1 0 208.265 0.166 10 0 BCAERO Cn1cc(CCCN2CCO[C@@H](CO)C2)cn1 ZINC000309983496 491159341 /nfs/dbraw/zinc/15/93/41/491159341.db2.gz MWMRMHXGHCKWBQ-GFCCVEGCSA-N 1 0 239.319 0.046 10 0 BCAERO C1C[C@]2(CO1)CC[NH2+][C@@]1(CCSC1)O2 ZINC000757138342 582517362 /nfs/dbraw/zinc/51/73/62/582517362.db2.gz BJQBNWVESPAJLF-UWVGGRQHSA-N 1 0 215.318 0.989 10 0 BCAERO C1C[C@@]2(CO1)CC[NH2+][C@@]1(CCCOC1)O2 ZINC000757138110 582517436 /nfs/dbraw/zinc/51/74/36/582517436.db2.gz AGLSOTHYTTXVID-MNOVXSKESA-N 1 0 213.277 0.662 10 0 BCAERO COCCn1nnc(Br)c1C[NH3+] ZINC000757138374 582518093 /nfs/dbraw/zinc/51/80/93/582518093.db2.gz UNMKNHZQCVZCNH-UHFFFAOYSA-N 1 0 235.085 0.146 10 0 BCAERO C1C[C@@]2(CO1)CCNC1(CC[NH2+]CC1)O2 ZINC000757138941 582518587 /nfs/dbraw/zinc/51/85/87/582518587.db2.gz FHOWULPRMGLJHJ-SNVBAGLBSA-N 1 0 212.293 0.235 10 0 BCAERO C1C[C@@]2(CO1)[NH2+]CC1(CCOCC1)CO2 ZINC000757139801 582520322 /nfs/dbraw/zinc/52/03/22/582520322.db2.gz HTOZIQOKSAAPNO-LLVKDONJSA-N 1 0 213.277 0.520 10 0 BCAERO Cc1nn(C)c(CN2CC[C@H]2C[NH3+])c1Cl ZINC000757146220 582529228 /nfs/dbraw/zinc/52/92/28/582529228.db2.gz PLPYEORYGAFYSY-QMMMGPOBSA-N 1 0 228.727 0.915 10 0 BCAERO CC(C)(C)S(=O)(=O)CCN1CC[C@@H]1C[NH3+] ZINC000757146215 582529396 /nfs/dbraw/zinc/52/93/96/582529396.db2.gz MZTVZKZJZXPTLU-SECBINFHSA-N 1 0 234.365 0.233 10 0 BCAERO CCC1(CC)[NH2+]C[C@@]2(COCCN2)CO1 ZINC000757146282 582529875 /nfs/dbraw/zinc/52/98/75/582529875.db2.gz QUAHCDRIGNZUOO-SNVBAGLBSA-N 1 0 214.309 0.481 10 0 BCAERO COC[C@@H]1CCO[C@@]2(COC(C)(C)C2)[NH2+]1 ZINC000757146463 582530306 /nfs/dbraw/zinc/53/03/06/582530306.db2.gz KMOJWSAFCSJBCK-ONGXEEELSA-N 1 0 215.293 0.907 10 0 BCAERO CCn1cc(CN2CC[C@@H]2C[NH3+])c(C)n1 ZINC000757148431 582532917 /nfs/dbraw/zinc/53/29/17/582532917.db2.gz SWICWLIZKMTXKB-LLVKDONJSA-N 1 0 208.309 0.744 10 0 BCAERO CCC1(CC)[NH2+]C[C@@]2(COCCN2C)CO1 ZINC000757148350 582532836 /nfs/dbraw/zinc/53/28/36/582532836.db2.gz UHTFFWHGHQOUFD-LLVKDONJSA-N 1 0 228.336 0.823 10 0 BCAERO [NH3+][C@H](CS(=O)(=O)N1CCC1)c1ccccc1 ZINC000757150566 582534532 /nfs/dbraw/zinc/53/45/32/582534532.db2.gz FQTPALJHBPLUQQ-LLVKDONJSA-N 1 0 240.328 0.722 10 0 BCAERO CCCC[C@H]([NH3+])CS(=O)(=O)N1CCC1 ZINC000757151562 582535780 /nfs/dbraw/zinc/53/57/80/582535780.db2.gz HRXZTXJNSWOALG-VIFPVBQESA-N 1 0 220.338 0.539 10 0 BCAERO COC[C@@H]1CCO[C@@]2(CCC[NH2+]C2)N1 ZINC000757150649 582534914 /nfs/dbraw/zinc/53/49/14/582534914.db2.gz RQEGVPJKNKXWIG-VHSXEESVSA-N 1 0 200.282 0.091 10 0 BCAERO Cc1nc(C)c(N2CC[C@@H]2C[NH3+])nc1C ZINC000757153541 582538607 /nfs/dbraw/zinc/53/86/07/582538607.db2.gz UGRDWMNGZLWUJF-SNVBAGLBSA-N 1 0 206.293 0.939 10 0 BCAERO CC[C@@H](CC(N)=S)[N@@H+]1CC[C@@H]1C(N)=O ZINC000757160325 582544291 /nfs/dbraw/zinc/54/42/91/582544291.db2.gz RORMSWGFNZMZTQ-NKWVEPMBSA-N 1 0 215.322 0.001 10 0 BCAERO Cc1nn(C)c(C)c1[C@H]1CC[NH+]=C(N)N1 ZINC000235795741 582610763 /nfs/dbraw/zinc/61/07/63/582610763.db2.gz BRPNTTWFYNBDGG-MRVPVSSYSA-N 1 0 207.281 0.386 10 0 BCAERO [NH3+]CCc1nc2n(n1)[C@H]1CCCC[C@@H]1CN2 ZINC000236247086 582643402 /nfs/dbraw/zinc/64/34/02/582643402.db2.gz KUWGNKSFGQSTQN-BDAKNGLRSA-N 1 0 221.308 0.936 10 0 BCAERO CCOCCCNC(=O)[C@H]1CCC[NH2+][C@H]1C ZINC000087121757 535545489 /nfs/dbraw/zinc/54/54/89/535545489.db2.gz OVLDGWSFWWBZLR-QWRGUYRKSA-N 1 0 228.336 0.917 10 0 BCAERO CC[C@](C)(O)C[N@@H+]1CC[C@H](O)[C@@H](C)C1 ZINC000251648329 535846527 /nfs/dbraw/zinc/84/65/27/535846527.db2.gz IVQXSNAOCHJSFU-DCAQKATOSA-N 1 0 201.310 0.850 10 0 BCAERO CCc1cc(C(=O)N(C)C2C[NH2+]C2)[nH]n1 ZINC000261545725 536097843 /nfs/dbraw/zinc/09/78/43/536097843.db2.gz KFSOFELBTRKPIH-UHFFFAOYSA-N 1 0 208.265 0.016 10 0 BCAERO CC(=O)NCc1nc([C@H]2CCC[NH2+]C2)no1 ZINC000229018650 519678959 /nfs/dbraw/zinc/67/89/59/519678959.db2.gz ZXICSTIUWGLEPO-QMMMGPOBSA-N 1 0 224.264 0.173 10 0 BCAERO Cc1cc(C)nc(Cn2cc[nH+]c2N)n1 ZINC000700481685 582807891 /nfs/dbraw/zinc/80/78/91/582807891.db2.gz BFUAIXZRVDXJGH-UHFFFAOYSA-N 1 0 203.249 0.920 10 0 BCAERO CC(=O)N[C@H]1CCCN(C[C@@]2(C)CC[NH2+]C2)C1 ZINC000261751285 534663432 /nfs/dbraw/zinc/66/34/32/534663432.db2.gz JVAAAVQUASTHNP-STQMWFEESA-N 1 0 239.363 0.587 10 0 BCAERO CC[C@](O)(C[NH3+])[C@H](C)NC(=O)OC(C)(C)C ZINC000072207856 523532108 /nfs/dbraw/zinc/53/21/08/523532108.db2.gz RMWMJUQWSNGPGZ-KWQFWETISA-N 1 0 232.324 0.999 10 0 BCAERO CC(=O)CCCC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000185068225 534723256 /nfs/dbraw/zinc/72/32/56/534723256.db2.gz ONUFMTSGKKPHJR-NSHDSACASA-N 1 0 226.320 0.908 10 0 BCAERO CN1C(=O)N(C)[C@@](C)([C@H]2CCC[NH2+]C2)C1=O ZINC000095533160 523715677 /nfs/dbraw/zinc/71/56/77/523715677.db2.gz LDPVQZRWDRZLBR-KWQFWETISA-N 1 0 225.292 0.269 10 0 BCAERO CN1N=C(N2CC[NH2+]CC2)C[C@H]1C(F)(F)F ZINC000057347329 524031058 /nfs/dbraw/zinc/03/10/58/524031058.db2.gz IMIZDBUXIMRZPW-ZETCQYMHSA-N 1 0 236.241 0.472 10 0 BCAERO COc1ccccc1C(=O)NCCOCC[NH3+] ZINC000074533377 524351030 /nfs/dbraw/zinc/35/10/30/524351030.db2.gz VHYLKAWFWKPHLQ-UHFFFAOYSA-N 1 0 238.287 0.400 10 0 BCAERO Cc1cccc(N(C)C(=O)CN2CC[C@@H]([NH3+])C2)c1 ZINC000229004976 524511673 /nfs/dbraw/zinc/51/16/73/524511673.db2.gz WXMUCNKNSLGZJL-GFCCVEGCSA-N 1 0 247.342 0.991 10 0 BCAERO COC(=O)[C@](C)([NH3+])CCCn1cccn1 ZINC000045434632 582878946 /nfs/dbraw/zinc/87/89/46/582878946.db2.gz UMBGUXUISTZXTC-SNVBAGLBSA-N 1 0 211.265 0.554 10 0 BCAERO Cc1cnn(C[C@H]([NH2+]C(C)C)C(N)=O)c1 ZINC000045436303 582879063 /nfs/dbraw/zinc/87/90/63/582879063.db2.gz JCLVHWZDNIYLFK-VIFPVBQESA-N 1 0 210.281 0.043 10 0 BCAERO CCOC(=O)[C@@](C)([NH3+])CCn1cccn1 ZINC000045435196 582879128 /nfs/dbraw/zinc/87/91/28/582879128.db2.gz FGEWWVMHMMLQEP-JTQLQIEISA-N 1 0 211.265 0.554 10 0 BCAERO CC(C)[NH2+][C@@](C)(Cn1cccn1)C(N)=O ZINC000045435135 582879194 /nfs/dbraw/zinc/87/91/94/582879194.db2.gz ZRSLJGCWYLZCFB-JTQLQIEISA-N 1 0 210.281 0.125 10 0 BCAERO C[C@@]([NH3+])(CCCCn1cccn1)C(N)=O ZINC000045434579 582879205 /nfs/dbraw/zinc/87/92/05/582879205.db2.gz FHNNOXNSDYZYIY-SNVBAGLBSA-N 1 0 210.281 0.256 10 0 BCAERO C[NH2+][C@](C)(CCn1cc(Cl)cn1)C(N)=O ZINC000045436991 582879794 /nfs/dbraw/zinc/87/97/94/582879794.db2.gz DPAIJCDTYWGBJK-SECBINFHSA-N 1 0 230.699 0.390 10 0 BCAERO O=C(NCC[NH+]1CCCC1)c1ccc[nH]c1=O ZINC000229009615 526306340 /nfs/dbraw/zinc/30/63/40/526306340.db2.gz VXIJZLFHSPFWGB-UHFFFAOYSA-N 1 0 235.287 0.201 10 0 BCAERO CC(C)(C)[C@@H](CO)[NH2+]C[C@H]1CNC(=O)O1 ZINC000308921131 526627948 /nfs/dbraw/zinc/62/79/48/526627948.db2.gz CGGTXOCWQHKHBJ-JGVFFNPUSA-N 1 0 216.281 0.091 10 0 BCAERO [NH3+]CCNC(=O)c1ccc2[nH]ccc2c1 ZINC000082564898 527187815 /nfs/dbraw/zinc/18/78/15/527187815.db2.gz BJYRJNNOCDPGBL-UHFFFAOYSA-N 1 0 203.245 0.856 10 0 BCAERO [NH3+]CCOCCNC(=O)Cc1ccccc1 ZINC000074533420 527188469 /nfs/dbraw/zinc/18/84/69/527188469.db2.gz KRHGCILNMNQAIH-UHFFFAOYSA-N 1 0 222.288 0.321 10 0 BCAERO [NH3+][C@H]1CCN(c2cc3c(nn2)CCCC3)C1 ZINC000229016800 527411081 /nfs/dbraw/zinc/41/10/81/527411081.db2.gz XVXMAEMAHXVSOP-JTQLQIEISA-N 1 0 218.304 0.893 10 0 BCAERO [NH3+][C@H]1CCN(c2nc3cc(F)ccc3c(=O)[nH]2)C1 ZINC000229015971 527411572 /nfs/dbraw/zinc/41/15/72/527411572.db2.gz KWXMVSNDKAEVGU-QMMMGPOBSA-N 1 0 248.261 0.600 10 0 BCAERO O=C(NC1CC1)c1cc([C@@H]2CCC[NH2+]C2)n[nH]1 ZINC000229006659 527494693 /nfs/dbraw/zinc/49/46/93/527494693.db2.gz PNSDIDFEOLZXIQ-MRVPVSSYSA-N 1 0 234.303 0.769 10 0 BCAERO COC[C@@H](C)N(C)C(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000261666006 536516015 /nfs/dbraw/zinc/51/60/15/536516015.db2.gz FMVZMBSTSKZAKK-OUAUKWLOSA-N 1 0 228.336 0.997 10 0 BCAERO CCN(CC)C(=O)C[N@@H+]1C[C@H](C)C[C@H](O)C1 ZINC000401758497 528027176 /nfs/dbraw/zinc/02/71/76/528027176.db2.gz QXGFJUGOSGYNLB-MNOVXSKESA-N 1 0 228.336 0.558 10 0 BCAERO CC(C)OC[C@H](O)C[N@@H+]1C[C@H](C)C[C@@H](O)C1 ZINC000401942691 528029048 /nfs/dbraw/zinc/02/90/48/528029048.db2.gz HWSOXYZLXAITAV-IJLUTSLNSA-N 1 0 231.336 0.475 10 0 BCAERO CCNC(=O)CC[N@@H+]1C[C@@H](C)C[C@H](O)C1 ZINC000401898753 528074209 /nfs/dbraw/zinc/07/42/09/528074209.db2.gz LZRSHLQSXFPCBO-UWVGGRQHSA-N 1 0 214.309 0.215 10 0 BCAERO CCCCNC(=O)C[N@@H+]1C[C@H](C)C[C@@H](O)C1 ZINC000401768279 528506904 /nfs/dbraw/zinc/50/69/04/528506904.db2.gz VQBRXBBTDSDMCE-GHMZBOCLSA-N 1 0 228.336 0.605 10 0 BCAERO CCCCOC[C@@H](O)C[N@H+]1C[C@H](O)C[C@H](C)C1 ZINC000401947269 528619822 /nfs/dbraw/zinc/61/98/22/528619822.db2.gz JXFVUYUYZXLUHX-XQQFMLRXSA-N 1 0 245.363 0.867 10 0 BCAERO CCOC[C@@H]([NH2+]C[C@H]1CNC(=O)O1)C(C)C ZINC000309619189 528896499 /nfs/dbraw/zinc/89/64/99/528896499.db2.gz DTGLPCXTHVCNFG-VHSXEESVSA-N 1 0 230.308 0.746 10 0 BCAERO CC(C)NC(=O)CC[N@@H+]1C[C@@H](C)C[C@H](O)C1 ZINC000401751197 529120587 /nfs/dbraw/zinc/12/05/87/529120587.db2.gz NSYPDFJRFNHNND-QWRGUYRKSA-N 1 0 228.336 0.604 10 0 BCAERO CC[C@H](C)NC(=O)C[N@@H+]1C[C@H](C)C[C@@H](O)C1 ZINC000401738841 529159771 /nfs/dbraw/zinc/15/97/71/529159771.db2.gz IDPARPAANAOWPS-OUAUKWLOSA-N 1 0 228.336 0.604 10 0 BCAERO CC(C)N(C)C(=O)CN1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261562867 534967361 /nfs/dbraw/zinc/96/73/61/534967361.db2.gz WPTVSPQYWYKHHF-NWDGAFQWSA-N 1 0 239.363 0.537 10 0 BCAERO CC(C)[C@H]([NH3+])C(=O)N1CC(=O)Nc2ccccc21 ZINC000020293645 535046351 /nfs/dbraw/zinc/04/63/51/535046351.db2.gz UJNHRYUDARBEAN-LBPRGKRZSA-N 1 0 247.298 0.955 10 0 BCAERO CCCNC(=O)[C@@H]([NH3+])C1CCOCC1 ZINC000261536928 535106705 /nfs/dbraw/zinc/10/67/05/535106705.db2.gz UGZLIPCFBRPVCH-VIFPVBQESA-N 1 0 200.282 0.267 10 0 BCAERO CC(C)[C@H](O)C[N@@H+]1C[C@H](C)[C@H](N(C)C)C1 ZINC000251674793 535149994 /nfs/dbraw/zinc/14/99/94/535149994.db2.gz HNDREJNJRGRKTJ-QJPTWQEYSA-N 1 0 214.353 0.885 10 0 BCAERO CC(C)[C@H](O)C[N@@H+]1C[C@@H](C)[C@@H](N(C)C)C1 ZINC000226094637 535150480 /nfs/dbraw/zinc/15/04/80/535150480.db2.gz HNDREJNJRGRKTJ-GRYCIOLGSA-N 1 0 214.353 0.885 10 0 BCAERO CCC1(C(=O)NC[C@H]2C[NH2+]C[C@@H]2O)CCC1 ZINC000262366925 535248059 /nfs/dbraw/zinc/24/80/59/535248059.db2.gz VSWAIXDYCCLFDM-ZJUUUORDSA-N 1 0 226.320 0.263 10 0 BCAERO CCC[C@@H](C[NH3+])N1CCN(c2ncccn2)CC1 ZINC000019270120 535341476 /nfs/dbraw/zinc/34/14/76/535341476.db2.gz PCNVCFSTDQGBNB-LBPRGKRZSA-N 1 0 249.362 0.726 10 0 BCAERO CC1(C)CN(C(=O)[C@@H]2CCOC2)CC[C@@H]1[NH3+] ZINC000261594314 535343556 /nfs/dbraw/zinc/34/35/56/535343556.db2.gz XLZQHKHZPSYLQB-ZJUUUORDSA-N 1 0 226.320 0.609 10 0 BCAERO CC1(C)CN(C(=O)[C@@H]2CC[C@H]([NH3+])C2)CCO1 ZINC000085010755 535344008 /nfs/dbraw/zinc/34/40/08/535344008.db2.gz UBZAOTHRACUZLM-ZJUUUORDSA-N 1 0 226.320 0.751 10 0 BCAERO CCC(C)(C)NC(=O)CN1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000232868286 535356669 /nfs/dbraw/zinc/35/66/69/535356669.db2.gz BKAQFXWRMSPETI-ZJUUUORDSA-N 1 0 227.352 0.570 10 0 BCAERO CC1(C)C[C@@H]1CNC(=O)[C@H]([NH3+])C1CCOCC1 ZINC000261743117 535366669 /nfs/dbraw/zinc/36/66/69/535366669.db2.gz KPIQCQATNFSJSP-GHMZBOCLSA-N 1 0 240.347 0.903 10 0 BCAERO CCO[C@@H]1C[C@@H]1C(=O)N1CC[NH2+]C[C@@H]1C ZINC000178499573 535424648 /nfs/dbraw/zinc/42/46/48/535424648.db2.gz PQVUKFYUAFZFIG-LPEHRKFASA-N 1 0 212.293 0.232 10 0 BCAERO CCO[C@@H]1C[C@@H]1C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000262082165 535425352 /nfs/dbraw/zinc/42/53/52/535425352.db2.gz TWQHXFJGDGRTON-UMNHJUIQSA-N 1 0 226.320 0.609 10 0 BCAERO CCO[C@@H]1C[C@@H]1C(=O)NC1(C[NH3+])CCCC1 ZINC000179166674 535428167 /nfs/dbraw/zinc/42/81/67/535428167.db2.gz MIFANDNBDRWVJC-VHSXEESVSA-N 1 0 226.320 0.799 10 0 BCAERO CCC[C@@H]1C[C@H]1NC(=O)C[C@H](C[NH3+])OC ZINC000261536791 535483733 /nfs/dbraw/zinc/48/37/33/535483733.db2.gz SYURKTAFODFQCO-OPRDCNLKSA-N 1 0 214.309 0.655 10 0 BCAERO CCCc1nc(CN2C[C@H](C)[C@H]([NH3+])C2)no1 ZINC000261534192 535529086 /nfs/dbraw/zinc/52/90/86/535529086.db2.gz OJWVHHVUYRUSDS-DTWKUNHWSA-N 1 0 224.308 0.801 10 0 BCAERO CC[N@@H+]1CCC[C@@H]1CN(C)S(=O)(=O)C1CC1 ZINC000175394532 535548259 /nfs/dbraw/zinc/54/82/59/535548259.db2.gz VDURUOLTXGBMIE-SNVBAGLBSA-N 1 0 246.376 0.895 10 0 BCAERO CCOc1cncc(N2CC[C@@H]([NH3+])[C@@H]2C)n1 ZINC000261572458 535566125 /nfs/dbraw/zinc/56/61/25/535566125.db2.gz IFZMFABEARYZEU-DTWKUNHWSA-N 1 0 222.292 0.801 10 0 BCAERO CCO[C@H](C)c1nc([C@@H]2C[NH2+]CCN2C)no1 ZINC000263247524 535566463 /nfs/dbraw/zinc/56/64/63/535566463.db2.gz PMBJGTCPEUOVMM-BDAKNGLRSA-N 1 0 240.307 0.743 10 0 BCAERO CCN1CCN(C(=O)C[NH3+])c2ccccc21 ZINC000083940022 535615989 /nfs/dbraw/zinc/61/59/89/535615989.db2.gz GSZNQKPUXBFRCR-UHFFFAOYSA-N 1 0 219.288 0.818 10 0 BCAERO CCOC(=O)[C@H](CC)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261541553 535649165 /nfs/dbraw/zinc/64/91/65/535649165.db2.gz BHUMVCMETGYWPG-BJDJZHNGSA-N 1 0 240.347 0.997 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N(C)c1cnn(C)c1 ZINC000178812434 535674912 /nfs/dbraw/zinc/67/49/12/535674912.db2.gz XKUAYWJUYPRMFB-VIFPVBQESA-N 1 0 210.281 0.510 10 0 BCAERO CCC[C@H]([NH3+])C(=O)Nc1c2c(nn1C)CCC2 ZINC000262449573 535680156 /nfs/dbraw/zinc/68/01/56/535680156.db2.gz FDGFVVJLYVHMJV-VIFPVBQESA-N 1 0 236.319 0.975 10 0 BCAERO CCN1CCN(c2cc(C)[nH+]c(N)n2)[C@@H](C)C1=O ZINC000032581042 535742796 /nfs/dbraw/zinc/74/27/96/535742796.db2.gz OOMMYSLMWBPWGR-VIFPVBQESA-N 1 0 249.318 0.424 10 0 BCAERO CC[C@@H](NC(=O)[C@@H]([NH3+])COC)c1ccncc1 ZINC000262352499 535797904 /nfs/dbraw/zinc/79/79/04/535797904.db2.gz UPHXYVISQANQNW-WDEREUQCSA-N 1 0 237.303 0.623 10 0 BCAERO CC[C@H](NC(=O)[C@@H]([NH3+])COC)c1ccncc1 ZINC000262352498 535827805 /nfs/dbraw/zinc/82/78/05/535827805.db2.gz UPHXYVISQANQNW-QWRGUYRKSA-N 1 0 237.303 0.623 10 0 BCAERO CCc1nnc(C)cc1C(=O)NC[C@H](C)[NH2+]C ZINC000261551006 535842917 /nfs/dbraw/zinc/84/29/17/535842917.db2.gz LSQXXLYQCJPCLQ-VIFPVBQESA-N 1 0 236.319 0.685 10 0 BCAERO CC[C@](C)(O)C[NH+]1CCC(OCCO)CC1 ZINC000168048912 535844296 /nfs/dbraw/zinc/84/42/96/535844296.db2.gz HFBGCTIWEJXQAA-LBPRGKRZSA-N 1 0 231.336 0.621 10 0 BCAERO CCn1c(C)nnc1CN(C)[C@H](C)C[NH3+] ZINC000261540787 535972168 /nfs/dbraw/zinc/97/21/68/535972168.db2.gz FFJROXNUPPXVOX-MRVPVSSYSA-N 1 0 211.313 0.385 10 0 BCAERO CCn1c(C)nnc1CN1CC[C@](C)(C[NH3+])C1 ZINC000261759226 535975066 /nfs/dbraw/zinc/97/50/66/535975066.db2.gz QVZVSZYIFLMDDU-GFCCVEGCSA-N 1 0 237.351 0.777 10 0 BCAERO CCc1cnc(CNC[C@@H]2C[NH2+]C[C@@H]2O)s1 ZINC000263267850 536050198 /nfs/dbraw/zinc/05/01/98/536050198.db2.gz RTWVUWVXGHVVHL-WPRPVWTQSA-N 1 0 241.360 0.375 10 0 BCAERO COC(=O)C[C@@H](C)NC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000261556489 536304289 /nfs/dbraw/zinc/30/42/89/536304289.db2.gz QUOJHQXUAGWHMW-ZJUUUORDSA-N 1 0 242.319 0.586 10 0 BCAERO C[NH2+][C@@H](C)CNC(=O)c1ccc(COC)o1 ZINC000261739754 536342535 /nfs/dbraw/zinc/34/25/35/536342535.db2.gz MGPZQEJJQBMZSN-QMMMGPOBSA-N 1 0 226.276 0.764 10 0 BCAERO C[N@@H+]1CCCC[C@H]1CCSC[C@@H](O)CO ZINC000226242590 536357464 /nfs/dbraw/zinc/35/74/64/536357464.db2.gz YEFPCKLBAGMHMX-QWRGUYRKSA-N 1 0 233.377 0.947 10 0 BCAERO C[NH2+][C@@H]1CCCN(Cc2nnc(C3CC3)n2C)C1 ZINC000261793544 536363733 /nfs/dbraw/zinc/36/37/33/536363733.db2.gz QQDYKRDWOKKYTR-LLVKDONJSA-N 1 0 249.362 0.876 10 0 BCAERO C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[C@H]2C2CC2)C1 ZINC000261533481 536373438 /nfs/dbraw/zinc/37/34/38/536373438.db2.gz BCQSRESUKABXGG-VWYCJHECSA-N 1 0 208.305 0.853 10 0 BCAERO C[NH2+][C@H](C)CNC(=O)CSC(F)(F)F ZINC000261527899 536392518 /nfs/dbraw/zinc/39/25/18/536392518.db2.gz CLLAAAVQWMVHCV-RXMQYKEDSA-N 1 0 230.255 0.964 10 0 BCAERO C[NH2+][C@H](C)CNC(=O)[C@@H]1CSCCS1 ZINC000261528121 536398753 /nfs/dbraw/zinc/39/87/53/536398753.db2.gz JHBRMJOHYBLHFY-SFYZADRCSA-N 1 0 234.390 0.559 10 0 BCAERO C[NH2+][C@H](C)CNC(=O)c1ccc2c(c1)CCN2 ZINC000261739999 536400857 /nfs/dbraw/zinc/40/08/57/536400857.db2.gz MKCSNDCZBUZPBL-SECBINFHSA-N 1 0 233.315 0.992 10 0 BCAERO C[NH2+][C@H](C)CNc1nc(OC)cc(OC)n1 ZINC000261568689 536404895 /nfs/dbraw/zinc/40/48/95/536404895.db2.gz FTEOFVUYIQXVQY-SSDOTTSWSA-N 1 0 226.280 0.514 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N(C)c1cccc(C)c1 ZINC000088003998 536653676 /nfs/dbraw/zinc/65/36/76/536653676.db2.gz NGXRRWIXRVDPOP-LLVKDONJSA-N 1 0 222.288 0.932 10 0 BCAERO COC[C@@H]([NH3+])C(=O)Nc1ccn(CC(F)F)n1 ZINC000262229602 536673719 /nfs/dbraw/zinc/67/37/19/536673719.db2.gz GPLZEKWKDGEYKO-ZCFIWIBFSA-N 1 0 248.233 0.060 10 0 BCAERO COC[C@@H]([NH3+])C(=O)Nc1cnn(CC(F)F)c1 ZINC000262376552 536673755 /nfs/dbraw/zinc/67/37/55/536673755.db2.gz XHTONLBTNUCWBO-SSDOTTSWSA-N 1 0 248.233 0.060 10 0 BCAERO COC[C@@H]([NH3+])C(=O)Nc1ccnc(N(C)C)c1 ZINC000262367740 536674124 /nfs/dbraw/zinc/67/41/24/536674124.db2.gz LHHJOKHGWHQGOO-SECBINFHSA-N 1 0 238.291 0.060 10 0 BCAERO COC[C@@H]([NH3+])C(=O)Nc1scnc1C1CC1 ZINC000262380797 536675839 /nfs/dbraw/zinc/67/58/39/536675839.db2.gz XWXIKFAZRHWOER-SSDOTTSWSA-N 1 0 241.316 0.933 10 0 BCAERO COc1cc(C)nc(N2CC[C@]3(CC[NH2+]C3)C2)n1 ZINC000257678709 536700219 /nfs/dbraw/zinc/70/02/19/536700219.db2.gz GJSBPDCTTDLGDX-ZDUSSCGKSA-N 1 0 248.330 0.983 10 0 BCAERO COc1cc(C)nc(N2CC[C@H]3C[NH2+]C[C@H]3C2)n1 ZINC000261554100 536700690 /nfs/dbraw/zinc/70/06/90/536700690.db2.gz ARRXNBUOBAYTOI-QWRGUYRKSA-N 1 0 248.330 0.839 10 0 BCAERO COc1cc(C)nc(N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)n1 ZINC000261580413 536701292 /nfs/dbraw/zinc/70/12/92/536701292.db2.gz QBBJRYQVKAFRDK-DCAQKATOSA-N 1 0 248.330 0.967 10 0 BCAERO COc1cc(C)nc(N2C[C@H](C)[C@H]([NH3+])C2)n1 ZINC000261535418 536701422 /nfs/dbraw/zinc/70/14/22/536701422.db2.gz YMFJFOPPYOLDTI-IONNQARKSA-N 1 0 222.292 0.577 10 0 BCAERO COc1cc(N2C[C@H](C)[NH2+]C[C@H]2C)ncn1 ZINC000085481420 536831892 /nfs/dbraw/zinc/83/18/92/536831892.db2.gz WUTSIOUTUJZNET-DTWKUNHWSA-N 1 0 222.292 0.672 10 0 BCAERO COC[C@@H](C)C(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000178825384 536864536 /nfs/dbraw/zinc/86/45/36/536864536.db2.gz QEKACXMOSGNMQT-NXEZZACHSA-N 1 0 228.336 0.855 10 0 BCAERO COc1ccccc1CNC[C@H]1C[NH2+]C[C@H]1O ZINC000263296014 537047813 /nfs/dbraw/zinc/04/78/13/537047813.db2.gz WHNVUMCTRCBAKV-NWDGAFQWSA-N 1 0 236.315 0.365 10 0 BCAERO C[NH2+][C@@H](CCn1cc(Cl)c(C)n1)C(N)=O ZINC000070704286 537881445 /nfs/dbraw/zinc/88/14/45/537881445.db2.gz HSFWMBKLNJJZNJ-QMMMGPOBSA-N 1 0 230.699 0.308 10 0 BCAERO O=S1(=O)CC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000075128375 537926288 /nfs/dbraw/zinc/92/62/88/537926288.db2.gz BEANQXRJUIUMKN-IUCAKERBSA-N 1 0 203.307 0.421 10 0 BCAERO CC[C@H](C(N)=[NH2+])n1cc(S(C)(=O)=O)cn1 ZINC000725252803 538035062 /nfs/dbraw/zinc/03/50/62/538035062.db2.gz XOPFQUXSBYRWEQ-SSDOTTSWSA-N 1 0 230.293 0.174 10 0 BCAERO C[C@H]([NH3+])CCCCn1cc(S(C)(=O)=O)cn1 ZINC000725253005 538035149 /nfs/dbraw/zinc/03/51/49/538035149.db2.gz QNQUOJFKKRBMJI-VIFPVBQESA-N 1 0 245.348 0.804 10 0 BCAERO COCCOC[C@@H]1[NH2+]CCc2nc[nH]c21 ZINC000400510804 566269347 /nfs/dbraw/zinc/26/93/47/566269347.db2.gz KWMJHNWXJGTGJP-VIFPVBQESA-N 1 0 211.265 0.260 10 0 BCAERO COCCC(=O)N[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000669372455 566421297 /nfs/dbraw/zinc/42/12/97/566421297.db2.gz TURHNMOJAZXRDR-RNFRBKRXSA-N 1 0 240.225 0.289 10 0 BCAERO CC(C)(C)[NH2+]C[C@@H](O)C[C@@]1(O)CCOC1 ZINC000669381225 566425574 /nfs/dbraw/zinc/42/55/74/566425574.db2.gz CBBRCRMLWSYHHB-ONGXEEELSA-N 1 0 217.309 0.277 10 0 BCAERO CCC(C)(C)[NH2+]C[C@H](O)C[C@]1(O)CCOC1 ZINC000669381300 566425682 /nfs/dbraw/zinc/42/56/82/566425682.db2.gz FIQDOGOSFMQFBV-ZYHUDNBSSA-N 1 0 231.336 0.667 10 0 BCAERO CCO[C@@H]1CC[C@H]2[NH2+]CCN(CC)[C@@H]2N1 ZINC000669380720 566425717 /nfs/dbraw/zinc/42/57/17/566425717.db2.gz ULULYHPEMBICTH-MXWKQRLJSA-N 1 0 213.325 0.352 10 0 BCAERO C/C=C(/C)C(=O)OC[C@H]1[C@@H](O)C[N@@H+]2CCC[C@H]12 ZINC000004098674 560195968 /nfs/dbraw/zinc/19/59/68/560195968.db2.gz LVZCTOQMFLAKLI-CSZIUDOQSA-N 1 0 239.315 0.951 10 0 in-vitro BCAERO CC(C)(O)C[N@@H+]1CCC[C@H](C2OCCO2)C1 ZINC000111135979 588723224 /nfs/dbraw/zinc/72/32/24/588723224.db2.gz SQRFMIBUZDOADO-JTQLQIEISA-N 1 0 229.320 0.842 10 0 BCAERO CN(C[C@@H]1CC[N@H+](C)C1)C(=O)C(F)(F)F ZINC000112826927 588818377 /nfs/dbraw/zinc/81/83/77/588818377.db2.gz JVBQQCSCSAXHMF-SSDOTTSWSA-N 1 0 224.226 0.959 10 0 BCAERO C1C[C@@]2(CO1)CC[NH2+][C@]1(CCSC1)O2 ZINC000757138339 582517462 /nfs/dbraw/zinc/51/74/62/582517462.db2.gz BJQBNWVESPAJLF-NXEZZACHSA-N 1 0 215.318 0.989 10 0 BCAERO C1C[NH2+]C[C@]2(C1)NCC1(CCOCC1)CO2 ZINC000757138913 582518672 /nfs/dbraw/zinc/51/86/72/582518672.db2.gz DPYDOGXDIXIZHR-GFCCVEGCSA-N 1 0 226.320 0.483 10 0 BCAERO O=S1(=O)CC[C@]2(C1)[NH2+][C@H](C1CC1)CCO2 ZINC000757139316 582519195 /nfs/dbraw/zinc/51/91/95/582519195.db2.gz GCGNXQWBKUSZJA-UWVGGRQHSA-N 1 0 231.317 0.290 10 0 BCAERO C1COC[C@]2(C[NH2+]C3(CCSCC3)OC2)N1 ZINC000757140477 582521229 /nfs/dbraw/zinc/52/12/29/582521229.db2.gz JHHITKAKXWQUKS-JTQLQIEISA-N 1 0 244.360 0.188 10 0 BCAERO [NH3+]C[C@@H]1CCN1C[C@H]1CCC(F)(F)CO1 ZINC000757141110 582521696 /nfs/dbraw/zinc/52/16/96/582521696.db2.gz CZHJDUYJOLFAKV-DTWKUNHWSA-N 1 0 220.263 0.834 10 0 BCAERO CC(C)n1ccc(CN2CC[C@@H]2C[NH3+])n1 ZINC000757142771 582523139 /nfs/dbraw/zinc/52/31/39/582523139.db2.gz FPYCBLBOOZIDHT-LLVKDONJSA-N 1 0 208.309 0.997 10 0 BCAERO [NH3+]C[C@H]1CCN1c1ncc(Br)cn1 ZINC000757145366 582527349 /nfs/dbraw/zinc/52/73/49/582527349.db2.gz LEUPFDALNBNVRM-SSDOTTSWSA-N 1 0 243.108 0.777 10 0 BCAERO COC[C@H]1CCO[C@]2(CCC[N@H+](C)CC2)N1 ZINC000757146242 582529564 /nfs/dbraw/zinc/52/95/64/582529564.db2.gz JVLRKECTNZYZBX-NEPJUHHUSA-N 1 0 228.336 0.823 10 0 BCAERO [NH3+]C[C@H]1CCN1CCOC[C@H]1CCCO1 ZINC000757146480 582530493 /nfs/dbraw/zinc/53/04/93/582530493.db2.gz NWPLFPJVGHYJGE-GHMZBOCLSA-N 1 0 214.309 0.215 10 0 BCAERO C1OCC12CCOC1(C[C@H]3CC[C@@H](C1)[NH2+]3)N2 ZINC000757147765 582531364 /nfs/dbraw/zinc/53/13/64/582531364.db2.gz MGDFRHWYVJUJKY-DHHPTOIESA-N 1 0 224.304 0.376 10 0 BCAERO CN1CCOC[C@]12C[NH2+]C(C)(C)OC2 ZINC000757150010 582533631 /nfs/dbraw/zinc/53/36/31/582533631.db2.gz WPKQIMFVICAWOR-JTQLQIEISA-N 1 0 200.282 0.043 10 0 BCAERO C[C@H](CCC(N)=S)[N@@H+]1CC[C@H]1C(N)=O ZINC000757158182 582540392 /nfs/dbraw/zinc/54/03/92/582540392.db2.gz OHWYQMNRFUMKNP-RQJHMYQMSA-N 1 0 215.322 0.001 10 0 BCAERO NC(=O)[C@H]1CC[N@H+]1CCCCCC(N)=S ZINC000757156363 582540527 /nfs/dbraw/zinc/54/05/27/582540527.db2.gz KKWYCJIAQWJMEI-MRVPVSSYSA-N 1 0 229.349 0.393 10 0 BCAERO CC1(C)C[C@H](N2CC[C@H]2C(N)=O)CC[NH2+]1 ZINC000757163238 582545071 /nfs/dbraw/zinc/54/50/71/582545071.db2.gz ZAZZPTUXLAJCNF-BDAKNGLRSA-N 1 0 211.309 0.077 10 0 BCAERO CCOC(=O)[C@@H]1C[NH2+]C[C@]12CCSC2 ZINC000757184500 582554201 /nfs/dbraw/zinc/55/42/01/582554201.db2.gz KSMYITCCRGMEKV-WPRPVWTQSA-N 1 0 215.318 0.892 10 0 BCAERO CNS(=O)(=O)C[C@@]12CC[C@@H](C[C@H]1[NH3+])C2 ZINC000757209038 582560255 /nfs/dbraw/zinc/56/02/55/582560255.db2.gz FIQCGXBVLJBQSJ-YIZRAAEISA-N 1 0 218.322 0.053 10 0 BCAERO [NH3+][C@H]1C[NH2+]C[C@@H](c2cccc(C(=O)[O-])c2)C1 ZINC000757216028 582561118 /nfs/dbraw/zinc/56/11/18/582561118.db2.gz OJKWGJJZAKZBNH-WDEREUQCSA-N 1 0 220.272 0.789 10 0 BCAERO O=C([O-])[C@H]1CCC[NH2+][C@H]1C1CC[NH2+]CC1 ZINC000757218614 582561909 /nfs/dbraw/zinc/56/19/09/582561909.db2.gz VHJUSKMWADMQRW-UWVGGRQHSA-N 1 0 212.293 0.439 10 0 BCAERO C[C@@H]1C[C@H](C)n2nc(CCC[NH3+])nc2N1 ZINC000235362539 582566790 /nfs/dbraw/zinc/56/67/90/582566790.db2.gz FRJULXFQTXGVOQ-SFYZADRCSA-N 1 0 209.297 0.935 10 0 BCAERO C[C@@H]1CC[C@@H]([C@@H]2CC[NH+]=C3NCCN32)O1 ZINC000235382940 582571151 /nfs/dbraw/zinc/57/11/51/582571151.db2.gz BBOXDGMWNISKHI-UTLUCORTSA-N 1 0 209.293 0.587 10 0 BCAERO C[C@H]1CN2C(=[NH+]CC[C@H]2c2ccnn2C)N1 ZINC000235695525 582603163 /nfs/dbraw/zinc/60/31/63/582603163.db2.gz TZIXUPBQMREUQX-WPRPVWTQSA-N 1 0 219.292 0.515 10 0 BCAERO Cn1cc([C@@H]2CCNC3=[NH+]CCN32)cn1 ZINC000236108061 582639015 /nfs/dbraw/zinc/63/90/15/582639015.db2.gz IYARSHJPRQRBMP-VIFPVBQESA-N 1 0 205.265 0.126 10 0 BCAERO NC1=[NH+]CC[C@@H](c2ccc3c(c2)OCO3)N1 ZINC000236188090 582641122 /nfs/dbraw/zinc/64/11/22/582641122.db2.gz RJFBAYZPWKRHIQ-QMMMGPOBSA-N 1 0 219.244 0.764 10 0 BCAERO [NH3+]C[C@H]1CCNc2nc(C3CCC3)nn21 ZINC000236250636 582643240 /nfs/dbraw/zinc/64/32/40/582643240.db2.gz WZIFTCWETAAMOQ-MRVPVSSYSA-N 1 0 207.281 0.861 10 0 BCAERO [NH3+]CCc1nc2n(n1)[C@H]1CCC[C@@H]1CN2 ZINC000236247203 582643352 /nfs/dbraw/zinc/64/33/52/582643352.db2.gz UWZCVKWJUSKERT-SFYZADRCSA-N 1 0 207.281 0.546 10 0 BCAERO Nc1cnn2c1NCC[C@@H]2[C@H]1CCC[NH2+]C1 ZINC000236376217 582654106 /nfs/dbraw/zinc/65/41/06/582654106.db2.gz FCTZTTDIEWRIGR-WCBMZHEXSA-N 1 0 221.308 0.822 10 0 BCAERO Nc1ccc(=O)n(CC[NH+]2CCCC2)c1 ZINC000033512612 582673693 /nfs/dbraw/zinc/67/36/93/582673693.db2.gz VGXOANCHUKFXET-UHFFFAOYSA-N 1 0 207.277 0.526 10 0 BCAERO CC(C)S(=O)(=O)N1CCCC[C@@H](C[NH3+])C1 ZINC000308807661 582728106 /nfs/dbraw/zinc/72/81/06/582728106.db2.gz GJTOVFOIQIVPJA-JTQLQIEISA-N 1 0 234.365 0.785 10 0 BCAERO CC(C)(CO)[NH2+]CCn1ccccc1=O ZINC000113710754 588851070 /nfs/dbraw/zinc/85/10/70/588851070.db2.gz IJHAGTHHGMENPA-UHFFFAOYSA-N 1 0 210.277 0.209 10 0 BCAERO Cc1cc(N)nc(N2CCC[C@@H]2CO)[nH+]1 ZINC000892073657 582785681 /nfs/dbraw/zinc/78/56/81/582785681.db2.gz RZQXTFCBKLSQTN-MRVPVSSYSA-N 1 0 208.265 0.328 10 0 BCAERO CC(C)N1C[C@H]([NH2+]CCC(N)=O)[C@@H](C)C1 ZINC000393604468 582817192 /nfs/dbraw/zinc/81/71/92/582817192.db2.gz ITTLMYXPNWCEBE-UWVGGRQHSA-N 1 0 213.325 0.180 10 0 BCAERO CC(=O)[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000111690134 582818132 /nfs/dbraw/zinc/81/81/32/582818132.db2.gz VBDYURNIXJNCJT-CYBMUJFWSA-N 1 0 240.347 0.620 10 0 BCAERO COC(=O)[C@@](C)([NH3+])CCCn1ccnc1 ZINC000045431731 582878355 /nfs/dbraw/zinc/87/83/55/582878355.db2.gz JWYSOVSXKPSRQF-JTQLQIEISA-N 1 0 211.265 0.554 10 0 BCAERO C[C@H]1NC(=O)CC[C@@H]1[NH2+]CCn1ccccc1=O ZINC000392957483 582909599 /nfs/dbraw/zinc/90/95/99/582909599.db2.gz HLWGJJNGKBLKIC-MNOVXSKESA-N 1 0 249.314 0.105 10 0 BCAERO Nc1[nH+]ccn1CCO[C@@H]1CC1(F)F ZINC000702617754 582926452 /nfs/dbraw/zinc/92/64/52/582926452.db2.gz DCWNNSGRSXYBMB-ZCFIWIBFSA-N 1 0 203.192 0.890 10 0 BCAERO CC(C)[C@H]([NH2+]Cc1ccncc1)C(N)=O ZINC000107323289 582951530 /nfs/dbraw/zinc/95/15/30/582951530.db2.gz SLYUVLXQDRZMBF-JTQLQIEISA-N 1 0 207.277 0.681 10 0 BCAERO Cc1c(N)cnn1CC[NH+]1CCSCC1 ZINC000707319594 582961882 /nfs/dbraw/zinc/96/18/82/582961882.db2.gz WDGJFMULYKANID-UHFFFAOYSA-N 1 0 226.349 0.823 10 0 BCAERO C[C@H](Cn1cc[nH+]c1N)CS(C)(=O)=O ZINC000707308294 582961922 /nfs/dbraw/zinc/96/19/22/582961922.db2.gz LKULABCURYSFNN-SSDOTTSWSA-N 1 0 217.294 0.146 10 0 BCAERO CC[C@@H](C[NH3+])[C@@H](O)c1snnc1C ZINC000394828698 583016102 /nfs/dbraw/zinc/01/61/02/583016102.db2.gz BOCMTUIPKROSMZ-NKWVEPMBSA-N 1 0 201.295 0.865 10 0 BCAERO CCC(C)(C)NC(=O)N(CC[NH3+])CCOC ZINC000395917767 583072613 /nfs/dbraw/zinc/07/26/13/583072613.db2.gz GHQYTFBJXNOKSL-UHFFFAOYSA-N 1 0 231.340 0.792 10 0 BCAERO CC[C@@H]1CN([C@@H]2C[NH2+]C[C@H]2O)C[C@H](CC)O1 ZINC000398632069 583158308 /nfs/dbraw/zinc/15/83/08/583158308.db2.gz MNKABAXFTXOQFC-WRWGMCAJSA-N 1 0 228.336 0.209 10 0 BCAERO CCOC1CC([NH2+]C2CCN(CCO)CC2)C1 ZINC000399107778 583170185 /nfs/dbraw/zinc/17/01/85/583170185.db2.gz YCRSSBYSGMUFKX-UHFFFAOYSA-N 1 0 242.363 0.600 10 0 BCAERO CC[C@H](C)NC(=O)[C@H](C)n1cc[nH+]c1N ZINC000702466982 584937360 /nfs/dbraw/zinc/93/73/60/584937360.db2.gz QFTCTZYMGSDZPY-YUMQZZPRSA-N 1 0 210.281 0.941 10 0 BCAERO C[NH2+]Cc1sc([C@H](O)COC)nc1C ZINC000757132453 586426109 /nfs/dbraw/zinc/42/61/09/586426109.db2.gz TWVHXQFYLRXNJY-SSDOTTSWSA-N 1 0 216.306 0.851 10 0 BCAERO CCCC[C@@H]([NH3+])CS(=O)(=O)N(C)C ZINC000757154049 586429600 /nfs/dbraw/zinc/42/96/00/586429600.db2.gz UTZCTQQMLGQEHC-MRVPVSSYSA-N 1 0 208.327 0.395 10 0 BCAERO NC(=O)[C@@H]1CCN1c1cccc(C[NH3+])c1 ZINC000757152486 586429767 /nfs/dbraw/zinc/42/97/67/586429767.db2.gz RGBRKXCARHOULI-JTQLQIEISA-N 1 0 205.261 0.209 10 0 BCAERO CCc1nc(C)cc(N2CC[C@H]2C[NH3+])n1 ZINC000757154575 586430121 /nfs/dbraw/zinc/43/01/21/586430121.db2.gz ZERQJUGENLBVMX-VIFPVBQESA-N 1 0 206.293 0.885 10 0 BCAERO CC(C)[C@H]([NH3+])CS(=O)(=O)N1C2CCC1CC2 ZINC000757154435 586430217 /nfs/dbraw/zinc/43/02/17/586430217.db2.gz ZBHNNXSMCVEXKS-VQXHTEKXSA-N 1 0 246.376 0.926 10 0 BCAERO CC[C@@H](NC(=O)OC(C)(C)C)[C@H]([NH3+])CC(N)=O ZINC000757159306 586430586 /nfs/dbraw/zinc/43/05/86/586430586.db2.gz PABFLXKXDVNXRB-HTQZYQBOSA-N 1 0 245.323 0.492 10 0 BCAERO COC(=O)c1c[nH]nc1[C@@H]1C[NH2+]C[C@@H]1C ZINC000757170939 586433102 /nfs/dbraw/zinc/43/31/02/586433102.db2.gz MBBKGZIEBZPAAL-NKWVEPMBSA-N 1 0 209.249 0.519 10 0 BCAERO COC(=O)C1(c2ccc(N)cc2)CC([NH3+])C1 ZINC000757176390 586433758 /nfs/dbraw/zinc/43/37/58/586433758.db2.gz DYOKWNCPXMIHNT-UHFFFAOYSA-N 1 0 220.272 0.801 10 0 BCAERO CN1CC[C@]2(C[NH2+]C[C@@H]2C(=O)OC(C)(C)C)C1 ZINC000757184015 586433930 /nfs/dbraw/zinc/43/39/30/586433930.db2.gz GVTSZJWNMQXYAH-MFKMUULPSA-N 1 0 240.347 0.869 10 0 BCAERO COC(=O)[C@@H]1C[NH2+]C[C@@H]1c1nccs1 ZINC000757186733 586434004 /nfs/dbraw/zinc/43/40/04/586434004.db2.gz FHYSVBXKXSHRIX-NKWVEPMBSA-N 1 0 212.274 0.619 10 0 BCAERO COC(=O)[C@H]1C[NH2+]C[C@@]12CN1CCC2CC1 ZINC000757185269 586434031 /nfs/dbraw/zinc/43/40/31/586434031.db2.gz QRWABILUNKEDML-PWSUYJOCSA-N 1 0 224.304 0.091 10 0 BCAERO CC(C)(C)OC(=O)[C@H]1C[NH2+]C[C@@]12CCOC2 ZINC000757185844 586434100 /nfs/dbraw/zinc/43/41/00/586434100.db2.gz UEXIOYIVMLZUEQ-BXKDBHETSA-N 1 0 227.304 0.954 10 0 BCAERO COC(=O)[C@@H]1C[NH2+]C[C@@H]1c1scnc1C ZINC000757187983 586434895 /nfs/dbraw/zinc/43/48/95/586434895.db2.gz JCNXMHBHLFMXIZ-JGVFFNPUSA-N 1 0 226.301 0.928 10 0 BCAERO COC(=O)[C@H]1C[NH2+]C[C@H]1c1ncccc1F ZINC000757191261 586435625 /nfs/dbraw/zinc/43/56/25/586435625.db2.gz SKUYOWQOSJBVOQ-SFYZADRCSA-N 1 0 224.235 0.697 10 0 BCAERO O=C([O-])[C@@H]1CC[C@H](C2CC[NH2+]CC2)[NH2+]C1 ZINC000757211880 586438732 /nfs/dbraw/zinc/43/87/32/586438732.db2.gz JHDLTOXMSWDUMO-NXEZZACHSA-N 1 0 212.293 0.439 10 0 BCAERO C[C@@H]1CC[C@@H](C[NH3+])[C@H](c2cnnn2C)N1 ZINC000757213174 586439375 /nfs/dbraw/zinc/43/93/75/586439375.db2.gz OVFJMWCJJYVWJZ-KHQFGBGNSA-N 1 0 209.297 0.203 10 0 BCAERO [NH3+]Cc1ccc([C@H]2C[NH2+]CC[C@H]2C(=O)[O-])cc1 ZINC000757216486 586441031 /nfs/dbraw/zinc/44/10/31/586441031.db2.gz PSEPCDIKMYSYAT-VXGBXAGGSA-N 1 0 234.299 0.923 10 0 BCAERO [NH3+]C[C@@H]1OC(=O)CC12CCSCC2 ZINC000757224191 586442621 /nfs/dbraw/zinc/44/26/21/586442621.db2.gz ODPCSDNNEVDAHA-ZETCQYMHSA-N 1 0 201.291 0.774 10 0 BCAERO CCn1cc([C@H]2CC[C@@H](CN)[NH2+]C2)cn1 ZINC000757227334 586442678 /nfs/dbraw/zinc/44/26/78/586442678.db2.gz BMFYLFDZZXRANZ-ONGXEEELSA-N 1 0 208.309 0.697 10 0 BCAERO CCn1cc([C@@H]2C[C@@H](C)[C@@H]([NH3+])CN2)cn1 ZINC000757227384 586442859 /nfs/dbraw/zinc/44/28/59/586442859.db2.gz BNJIIDKBKYZBBR-MIMYLULJSA-N 1 0 208.309 0.901 10 0 BCAERO C[C@@H]1C[C@H]([C@H]2C[NH2+]C[C@@H](C(=O)[O-])C2)CC[NH2+]1 ZINC000757232418 586443151 /nfs/dbraw/zinc/44/31/51/586443151.db2.gz IEEZBUASFRBRGY-DBIOUOCHSA-N 1 0 226.320 0.685 10 0 BCAERO CCn1cc([C@@H]2NCC[C@H](C)[C@@H]2[NH3+])cn1 ZINC000757235593 586443277 /nfs/dbraw/zinc/44/32/77/586443277.db2.gz LUUCPBPGILXBEW-LSJOCFKGSA-N 1 0 208.309 0.901 10 0 BCAERO C[C@@H]1C[C@H]([C@H]2CC[NH2+]C[C@H]2C(=O)[O-])CC[NH2+]1 ZINC000757235712 586443570 /nfs/dbraw/zinc/44/35/70/586443570.db2.gz MJJSKJPEVZNYPO-GWOFURMSSA-N 1 0 226.320 0.685 10 0 BCAERO C[C@@H]1C[C@H]([C@H]2CCC[C@@H](C(=O)[O-])[NH2+]2)CC[NH2+]1 ZINC000757237604 586443583 /nfs/dbraw/zinc/44/35/83/586443583.db2.gz QKPJJJWLWGQREO-DBIOUOCHSA-N 1 0 226.320 0.970 10 0 BCAERO COCC[C@@H](C)n1nnc2c1nc[nH+]c2NN ZINC000757569615 586462559 /nfs/dbraw/zinc/46/25/59/586462559.db2.gz UBLQKXBBAQBULS-ZCFIWIBFSA-N 1 0 237.267 0.104 10 0 BCAERO COc1cc(NC(=O)[C@H]2CC[NH2+]C2)ccc1N ZINC000120040728 589363419 /nfs/dbraw/zinc/36/34/19/589363419.db2.gz BGKFFSADWMCUGV-QMMMGPOBSA-N 1 0 235.287 0.825 10 0 BCAERO CC(C)NC(=S)N1CC[C@@H]([NH+](C)C)C1 ZINC000122382856 589584853 /nfs/dbraw/zinc/58/48/53/589584853.db2.gz FEXBQTVGIYFUEH-SECBINFHSA-N 1 0 215.366 0.905 10 0 BCAERO COCCNC(=S)N1CC[C@H]([NH+](C)C)C1 ZINC000122382440 589584876 /nfs/dbraw/zinc/58/48/76/589584876.db2.gz LKUCCYAILHEVIE-VIFPVBQESA-N 1 0 231.365 0.143 10 0 BCAERO C[NH+](C)[C@H]1CCN(C(=S)NC2CC2)C1 ZINC000122385441 589584890 /nfs/dbraw/zinc/58/48/90/589584890.db2.gz SRHHFJQEHWYTMR-VIFPVBQESA-N 1 0 213.350 0.659 10 0 BCAERO C[C@@H]1COCCN1C(=O)C[C@H]([NH3+])C1CC1 ZINC000123605383 589757829 /nfs/dbraw/zinc/75/78/29/589757829.db2.gz YKWLKGNPPKYXKH-SCZZXKLOSA-N 1 0 212.293 0.361 10 0 BCAERO OCCC[C@@H]1CCC[N@@H+]1CCC1OCCO1 ZINC000124093676 589940177 /nfs/dbraw/zinc/94/01/77/589940177.db2.gz QQAYYWTYWIJWEO-NSHDSACASA-N 1 0 229.320 0.986 10 0 BCAERO OCCC[C@H]1CCC[N@@H+]1CCC1OCCO1 ZINC000124093494 589940291 /nfs/dbraw/zinc/94/02/91/589940291.db2.gz QQAYYWTYWIJWEO-LLVKDONJSA-N 1 0 229.320 0.986 10 0 BCAERO C[C@@H]1COC[C@@H](C)[NH+]1CCC1OCCO1 ZINC000124396196 589984393 /nfs/dbraw/zinc/98/43/93/589984393.db2.gz YWNNUTMTLDWTNP-NXEZZACHSA-N 1 0 215.293 0.859 10 0 BCAERO COC(CN1C[C@@H](C)[C@@H]([NH+](C)C)C1)OC ZINC000124577051 590059421 /nfs/dbraw/zinc/05/94/21/590059421.db2.gz QAIIIWLZVCTJAU-ZJUUUORDSA-N 1 0 216.325 0.487 10 0 BCAERO c1cc(-c2noc([C@@H]3CCC[NH2+]3)n2)ncn1 ZINC000124940566 590102797 /nfs/dbraw/zinc/10/27/97/590102797.db2.gz SRYPLELYVMCXSA-QMMMGPOBSA-N 1 0 217.232 0.951 10 0 BCAERO C[C@H]1OCC[C@H]1NC(=O)[C@H]1CCCC[NH2+]1 ZINC000125344714 590162142 /nfs/dbraw/zinc/16/21/42/590162142.db2.gz KBOOQURDBJJESM-OPRDCNLKSA-N 1 0 212.293 0.422 10 0 BCAERO C[C@@H]([NH2+]CCC1OCCO1)[C@H]1CCCO1 ZINC000126877956 590479255 /nfs/dbraw/zinc/47/92/55/590479255.db2.gz XNBPBRUZWKLQFX-NXEZZACHSA-N 1 0 215.293 0.907 10 0 BCAERO CCOC(=O)[C@H](C)NC(=O)C[C@@H]([NH3+])C(C)C ZINC000129008246 591207195 /nfs/dbraw/zinc/20/71/95/591207195.db2.gz DNWWNKKWAOYURI-DTWKUNHWSA-N 1 0 230.308 0.428 10 0 BCAERO CCN(CC(=O)NC(C)C)[C@@H]1CCC[NH2+]CC1 ZINC000129488257 591312720 /nfs/dbraw/zinc/31/27/20/591312720.db2.gz RMMOUMZBULZGQF-GFCCVEGCSA-N 1 0 241.379 0.975 10 0 BCAERO COC(=O)c1ccc(N[C@H]2CC[NH2+]C2)nc1 ZINC000212442743 591406109 /nfs/dbraw/zinc/40/61/09/591406109.db2.gz LMXRTQWJZWPKGW-VIFPVBQESA-N 1 0 221.260 0.642 10 0 BCAERO [NH3+][C@H](CC(=O)N[C@H]1CCCOC1)C1CC1 ZINC000129880259 591414525 /nfs/dbraw/zinc/41/45/25/591414525.db2.gz WCZGLVACVBHMTN-VHSXEESVSA-N 1 0 212.293 0.409 10 0 BCAERO C[C@H]1CN(C(=S)NC2CC2)C[C@H]1[NH+](C)C ZINC000130403405 591464245 /nfs/dbraw/zinc/46/42/45/591464245.db2.gz RBAPJUMTZZLMGB-WCBMZHEXSA-N 1 0 227.377 0.905 10 0 BCAERO Cc1cccc(-c2noc([C@H]3C[C@@H](O)C[NH2+]3)n2)n1 ZINC000131762688 591653078 /nfs/dbraw/zinc/65/30/78/591653078.db2.gz UCODYUJKPACBDA-PSASIEDQSA-N 1 0 246.270 0.835 10 0 BCAERO [NH3+][C@@H]1C[C@@H](N[C@@H]2CCCNC2=O)c2ccccc21 ZINC000132082640 591686413 /nfs/dbraw/zinc/68/64/13/591686413.db2.gz QOUKPKPKKGJBLQ-JHJVBQTASA-N 1 0 245.326 0.999 10 0 BCAERO C[C@@H]([NH3+])[C@@H]1CN(c2ncnc3c2CCC3)CCO1 ZINC000132894970 591747146 /nfs/dbraw/zinc/74/71/46/591747146.db2.gz POEKTJYSAOYOFY-SKDRFNHKSA-N 1 0 248.330 0.518 10 0 BCAERO C[C@H](C[C@@H]1COCCN1)[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000133487610 591803412 /nfs/dbraw/zinc/80/34/12/591803412.db2.gz IDYGZLLCOBWVJW-XQHKEYJVSA-N 1 0 242.363 0.911 10 0 BCAERO O=C(NC[C@H]1CC[NH2+]C1)c1ccc2c(c1)CCO2 ZINC000133620325 591844356 /nfs/dbraw/zinc/84/43/56/591844356.db2.gz JEGMXCWHPFHPMR-JTQLQIEISA-N 1 0 246.310 0.961 10 0 BCAERO O=C(NC[C@@H]1CC[NH2+]C1)[C@@H](O)c1ccccc1 ZINC000133659927 591845669 /nfs/dbraw/zinc/84/56/69/591845669.db2.gz ALXQFVQEMVRRKM-PWSUYJOCSA-N 1 0 234.299 0.446 10 0 BCAERO C[C@H]1OCC[C@H]1NC(=O)[C@]1(C)CCC[NH2+]1 ZINC000134259190 591907814 /nfs/dbraw/zinc/90/78/14/591907814.db2.gz UJHVEFHFJCYVAR-KKZNHRDASA-N 1 0 212.293 0.422 10 0 BCAERO CCC[C@](C)([NH3+])C(=O)N[C@H]1CCO[C@@H]1C ZINC000134549363 591936080 /nfs/dbraw/zinc/93/60/80/591936080.db2.gz MMVKXXQKTQVHGO-YWVKMMECSA-N 1 0 214.309 0.798 10 0 BCAERO COCC[NH2+]CCNc1nc(C)cnc1C ZINC000215510127 591948673 /nfs/dbraw/zinc/94/86/73/591948673.db2.gz RFQWXMAOBOYMDZ-UHFFFAOYSA-N 1 0 224.308 0.741 10 0 BCAERO O=C(C=C1CCC1)N[C@@H]1C[NH2+]C[C@@H]1n1ccnn1 ZINC000886077670 592144275 /nfs/dbraw/zinc/14/42/75/592144275.db2.gz OEMKNZOFRFBMBF-MNOVXSKESA-N 1 0 247.302 0.018 10 0 BCAERO COC(C[N@@H+]1CCC[C@H](NC(C)=O)C1)OC ZINC000136741384 592150391 /nfs/dbraw/zinc/15/03/91/592150391.db2.gz TVJFRMYFDXZQPL-JTQLQIEISA-N 1 0 230.308 0.206 10 0 BCAERO COC[C@@H]([NH3+])C(=O)Nc1cnc(Cl)c(C)c1 ZINC000300346086 592507137 /nfs/dbraw/zinc/50/71/37/592507137.db2.gz OQYOHJZRUHPAOC-MRVPVSSYSA-N 1 0 243.694 0.956 10 0 BCAERO CC(C)OC[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1CO ZINC000300416892 592511922 /nfs/dbraw/zinc/51/19/22/592511922.db2.gz ZBACDBKDJQFWSA-YNEHKIRRSA-N 1 0 245.363 0.913 10 0 BCAERO Cc1cnn(CC[NH2+]C[C@@H](O)COC(C)C)c1 ZINC000223034103 592514241 /nfs/dbraw/zinc/51/42/41/592514241.db2.gz AFMZXPTUYQLOCC-GFCCVEGCSA-N 1 0 241.335 0.567 10 0 BCAERO CCC[C@@H]1C[C@@H]1[NH2+]CCS(C)(=O)=O ZINC000300579115 592515716 /nfs/dbraw/zinc/51/57/16/592515716.db2.gz HHSQMNBWUPIVFO-BDAKNGLRSA-N 1 0 205.323 0.809 10 0 BCAERO O=C1C[C@H]([NH2+][C@H]2CCCC[C@H]2CO)CCCN1 ZINC000300735163 592518456 /nfs/dbraw/zinc/51/84/56/592518456.db2.gz QHEMXIIWTWWIQX-TUAOUCFPSA-N 1 0 240.347 0.796 10 0 BCAERO CC1(C)[C@H](NC(=O)[C@@H]2CCCO2)C[C@@H]1[NH3+] ZINC000122137012 592711605 /nfs/dbraw/zinc/71/16/05/592711605.db2.gz CSDHEZHQVSJSQL-XHNCKOQMSA-N 1 0 212.293 0.407 10 0 BCAERO CC[C@@H]1C[N@@H+](CC[C@@H](N)C(N)=O)C[C@H](CC)O1 ZINC000398503771 634382558 /nfs/dbraw/zinc/38/25/58/634382558.db2.gz AVNAQSPKARBILM-OUAUKWLOSA-N 1 0 243.351 0.079 10 0 BCAERO CN1CCO[C@@H](C[NH2+][C@@H]2COCC2(C)C)C1 ZINC000313092465 634449198 /nfs/dbraw/zinc/44/91/98/634449198.db2.gz UGGGUIUGNGKWIP-WDEREUQCSA-N 1 0 228.336 0.332 10 0 BCAERO CCN1CCO[C@H](C[NH2+][C@H]2COCC2(C)C)C1 ZINC000313091632 634449320 /nfs/dbraw/zinc/44/93/20/634449320.db2.gz TYHDKZWMEBDOET-NEPJUHHUSA-N 1 0 242.363 0.722 10 0 BCAERO CC1(C)COC[C@H]1[NH2+]CCn1cncn1 ZINC000313142998 634454633 /nfs/dbraw/zinc/45/46/33/634454633.db2.gz RIXVHCBCUDBKOU-SECBINFHSA-N 1 0 210.281 0.293 10 0 BCAERO CC[C@H](CO)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000259147779 635244660 /nfs/dbraw/zinc/24/46/60/635244660.db2.gz JCONOUVBKDXZGO-MNOVXSKESA-N 1 0 226.320 0.312 10 0 BCAERO CCO[C@H](C)C(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000261595461 635503573 /nfs/dbraw/zinc/50/35/73/635503573.db2.gz YEDOTQVKHZVCCS-UTLUCORTSA-N 1 0 214.309 0.655 10 0 BCAERO CC(C)OC[C@@H](O)CN1CC[NH2+]CC1(C)C ZINC000083842809 631429763 /nfs/dbraw/zinc/42/97/63/631429763.db2.gz PGHASYNXCZPZSB-NSHDSACASA-N 1 0 230.352 0.456 10 0 BCAERO CC[C@H](CO)[NH2+]C[C@@H]1CCC[C@H](O)C1 ZINC000308569116 631430087 /nfs/dbraw/zinc/43/00/87/631430087.db2.gz JGKQGYAXNIZZTH-MXWKQRLJSA-N 1 0 201.310 0.898 10 0 BCAERO C[NH2+]CCc1noc(-c2cc(C)nn2C)n1 ZINC000085165859 631457198 /nfs/dbraw/zinc/45/71/98/631457198.db2.gz AUWSORLFXYGOKN-UHFFFAOYSA-N 1 0 221.264 0.540 10 0 BCAERO C[NH2+][C@@H](C)CNS(=O)(=O)c1ccccc1 ZINC000234435780 631523918 /nfs/dbraw/zinc/52/39/18/631523918.db2.gz LXXOBLUSNNIJLW-VIFPVBQESA-N 1 0 228.317 0.573 10 0 BCAERO COC(=O)[C@@H]1C[NH2+]C[C@H]1c1cnn(C(C)C)c1 ZINC000234542341 631572199 /nfs/dbraw/zinc/57/21/99/631572199.db2.gz OZUGYTCRUORNNI-WDEREUQCSA-N 1 0 237.303 0.940 10 0 BCAERO CC(=O)CCN1CC[N@@H+](C[C@H](C)O)[C@H](C)C1 ZINC000247574008 631583804 /nfs/dbraw/zinc/58/38/04/631583804.db2.gz HOUDPRREZFARDT-PWSUYJOCSA-N 1 0 228.336 0.352 10 0 BCAERO COC(=O)[C@H]1C[N@H+](CCn2cncn2)C[C@H]1C ZINC000310353421 635668517 /nfs/dbraw/zinc/66/85/17/635668517.db2.gz HOHZAYWWHNFWAG-ZJUUUORDSA-N 1 0 238.291 0.019 10 0 BCAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)NCCn1cnnc1C ZINC000236976415 635677969 /nfs/dbraw/zinc/67/79/69/635677969.db2.gz GBUMSTHOOLYMLI-PSASIEDQSA-N 1 0 239.323 0.076 10 0 BCAERO COC1CC([NH2+]C2CCN(C=O)CC2)C1 ZINC000308959806 631756090 /nfs/dbraw/zinc/75/60/90/631756090.db2.gz RPAPLMUEOTXLJH-UHFFFAOYSA-N 1 0 212.293 0.374 10 0 BCAERO C[NH+](C)C(C)(C)CNC(=O)n1ccnc1 ZINC000043412061 631783514 /nfs/dbraw/zinc/78/35/14/631783514.db2.gz JOPXHHAPSKVSKH-UHFFFAOYSA-N 1 0 210.281 0.781 10 0 BCAERO CCc1nccn1C[C@](C)(NC)C(=O)OC ZINC000045460524 631837524 /nfs/dbraw/zinc/83/75/24/631837524.db2.gz AQVNTKLROFZGQU-NSHDSACASA-N 1 0 225.292 0.597 10 0 BCAERO C[C@H](CCO)[NH2+][C@H]1CCc2nccn2C1 ZINC000308845936 631911022 /nfs/dbraw/zinc/91/10/22/631911022.db2.gz METGIJKBAJFQES-ZJUUUORDSA-N 1 0 209.293 0.558 10 0 BCAERO CN(C[C@H]1CCCO1)C(=O)C[C@H]1C[NH2+]CCO1 ZINC000091310935 631914276 /nfs/dbraw/zinc/91/42/76/631914276.db2.gz RDRRBAUTDSLCAX-MNOVXSKESA-N 1 0 242.319 0.002 10 0 BCAERO CS[C@@H](C)CNC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000235071753 631916750 /nfs/dbraw/zinc/91/67/50/631916750.db2.gz KWCDHDKSYTXLQH-HRDYMLBCSA-N 1 0 216.350 0.710 10 0 BCAERO Cc1c[nH]nc1C(=O)N1CCCC[C@H]1C[NH3+] ZINC000309218187 631970004 /nfs/dbraw/zinc/97/00/04/631970004.db2.gz PUJHQPQBROBKRP-VIFPVBQESA-N 1 0 222.292 0.672 10 0 BCAERO CC[NH2+]CC(=O)N1[C@H](C)COC[C@H]1C ZINC000308863387 631984457 /nfs/dbraw/zinc/98/44/57/631984457.db2.gz CQLNDCIVUKCWTM-RKDXNWHRSA-N 1 0 200.282 0.232 10 0 BCAERO O=C1NC[C@@H](C[N@H+]2CCC[C@@H](CCO)C2)O1 ZINC000051916600 632011952 /nfs/dbraw/zinc/01/19/52/632011952.db2.gz JZZCDSJLZGMKMP-UWVGGRQHSA-N 1 0 228.292 0.189 10 0 BCAERO C[C@H]1CN([C@H]2CCC[NH2+]C2)S(=O)(=O)C1 ZINC000251809464 635706919 /nfs/dbraw/zinc/70/69/19/635706919.db2.gz OJRGKMWOTNYAOZ-IUCAKERBSA-N 1 0 218.322 0.020 10 0 BCAERO O=C(N[C@H]1C[NH+]2CCC1CC2)[C@H]1CCCO1 ZINC000222591101 635731973 /nfs/dbraw/zinc/73/19/73/635731973.db2.gz ADHXQIPYXZTTHH-WDEREUQCSA-N 1 0 224.304 0.376 10 0 BCAERO O=C(N[C@@H]1C[NH+]2CCC1CC2)c1cnccn1 ZINC000222590313 635732214 /nfs/dbraw/zinc/73/22/14/635732214.db2.gz QKHNUVHEPMTANW-LLVKDONJSA-N 1 0 232.287 0.301 10 0 BCAERO COC[C@@H](C)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000237156440 635777966 /nfs/dbraw/zinc/77/79/66/635777966.db2.gz FVANTKLYBCOEFC-VXNVDRBHSA-N 1 0 200.282 0.122 10 0 BCAERO COC[C@H](C)C(=O)N1CCCC[C@H]1C[NH3+] ZINC000237231027 635787710 /nfs/dbraw/zinc/78/77/10/635787710.db2.gz SOSPIKWGOFHUIO-UWVGGRQHSA-N 1 0 214.309 0.609 10 0 BCAERO C[C@@H]1COCCN1C(=O)[C@@H]1[NH2+]CC1(C)C ZINC000309503008 632418257 /nfs/dbraw/zinc/41/82/57/632418257.db2.gz MCSSWEMVPONHSN-BDAKNGLRSA-N 1 0 212.293 0.232 10 0 BCAERO COC(C[NH2+][C@H]1CCC(=O)NC1(C)C)OC ZINC000309488759 632418370 /nfs/dbraw/zinc/41/83/70/632418370.db2.gz WIVFRJFXXWLUIP-QMMMGPOBSA-N 1 0 230.308 0.252 10 0 BCAERO CCC1(C(=O)NC[C@@H]2CC[NH2+]C2)COC1 ZINC000309515599 632435622 /nfs/dbraw/zinc/43/56/22/632435622.db2.gz RHDYLWOWXKLGJZ-SECBINFHSA-N 1 0 212.293 0.139 10 0 BCAERO CCC[NH2+]CC(=O)N[C@@H](C)C(=O)NC(C)C ZINC000161879137 632442169 /nfs/dbraw/zinc/44/21/69/632442169.db2.gz FXNVWAQPJREWNQ-VIFPVBQESA-N 1 0 229.324 0.015 10 0 BCAERO Cn1ncc(C[NH2+][C@@H]2CCC[C@@H](O)C2)n1 ZINC000308928134 632472419 /nfs/dbraw/zinc/47/24/19/632472419.db2.gz LEJWMDPUXBBIJU-PSASIEDQSA-N 1 0 210.281 0.208 10 0 BCAERO c1cn2c(n1)CC[C@H]([NH2+]Cc1cnc[nH]1)C2 ZINC000309543423 632480030 /nfs/dbraw/zinc/48/00/30/632480030.db2.gz GWVWQCXXFDECOH-VIFPVBQESA-N 1 0 217.276 0.711 10 0 BCAERO Cc1nnc(CNC[C@@H]2CN(C)CCO2)s1 ZINC000309547884 632481142 /nfs/dbraw/zinc/48/11/42/632481142.db2.gz HISZGTMTJVOPMI-SECBINFHSA-N 1 0 242.348 0.267 10 0 BCAERO [NH3+]C[C@H]1CCCN1c1cn[nH]c(=O)c1Cl ZINC000168995916 632515672 /nfs/dbraw/zinc/51/56/72/632515672.db2.gz WZEPNXXKFGLIJJ-ZCFIWIBFSA-N 1 0 228.683 0.351 10 0 BCAERO OCC[C@@H]1CC[N@H+](CCC2OCCCO2)C1 ZINC000162121117 632518247 /nfs/dbraw/zinc/51/82/47/632518247.db2.gz BCELMGKAYQZUBC-NSHDSACASA-N 1 0 229.320 0.844 10 0 BCAERO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1[C@@H]1CCOC1 ZINC000229221162 632531849 /nfs/dbraw/zinc/53/18/49/632531849.db2.gz VUZZXLJJAVOIMD-KXUCPTDWSA-N 1 0 213.277 0.422 10 0 BCAERO CN(C)c1nccc(C[NH2+][C@@H]2CCOC2)n1 ZINC000309610589 632582982 /nfs/dbraw/zinc/58/29/82/632582982.db2.gz ZWAAQFPJVLSDDR-SNVBAGLBSA-N 1 0 222.292 0.421 10 0 BCAERO Cc1cnc(C)c(N2C[C@H]([NH3+])[C@@H](C)C2)n1 ZINC000235704670 632588909 /nfs/dbraw/zinc/58/89/09/632588909.db2.gz CAYIHSCIYVTUKG-XVKPBYJWSA-N 1 0 206.293 0.877 10 0 BCAERO C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCOC[C@H]1C ZINC000235285104 632604985 /nfs/dbraw/zinc/60/49/85/632604985.db2.gz HPFISEVDZZOEGK-UTLUCORTSA-N 1 0 212.293 0.232 10 0 BCAERO C[C@@H]1COCCN1C(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000235285039 632605537 /nfs/dbraw/zinc/60/55/37/632605537.db2.gz QGGWSYFFVUDPES-VWYCJHECSA-N 1 0 226.320 0.609 10 0 BCAERO CCc1nnc(C[NH2+][C@@H](CO)C2CC2)n1C ZINC000309960281 632688053 /nfs/dbraw/zinc/68/80/53/632688053.db2.gz KRIIRGRKBQHEET-VIFPVBQESA-N 1 0 224.308 0.238 10 0 BCAERO Cn1ncc2c1ncnc2NCC(C)(C)[NH3+] ZINC000096470191 632736303 /nfs/dbraw/zinc/73/63/03/632736303.db2.gz OZWBTEHDBNZNKR-UHFFFAOYSA-N 1 0 220.280 0.513 10 0 BCAERO C[C@H]1[NH2+]CCC[C@H]1NC(=O)Cc1cnn(C)c1 ZINC000193500977 632743043 /nfs/dbraw/zinc/74/30/43/632743043.db2.gz BWKHQHJKYWWEIG-MWLCHTKSSA-N 1 0 236.319 0.219 10 0 BCAERO CCCc1noc([C@@]2(COC)CC[NH2+]C2)n1 ZINC000309247137 632838766 /nfs/dbraw/zinc/83/87/66/632838766.db2.gz NTISORMQHVZAKW-NSHDSACASA-N 1 0 225.292 0.900 10 0 BCAERO FC(F)n1ccnc1COC1C[NH2+]C1 ZINC000236139686 632888692 /nfs/dbraw/zinc/88/86/92/632888692.db2.gz ADOIGRTVVSHDAI-UHFFFAOYSA-N 1 0 203.192 0.767 10 0 BCAERO C[NH+](C)[C@H]1CCN(c2nc(N)nc(C3CC3)n2)C1 ZINC000310697263 632890173 /nfs/dbraw/zinc/89/01/73/632890173.db2.gz UYZIGZDDZCWMLH-VIFPVBQESA-N 1 0 248.334 0.472 10 0 BCAERO CC[C@H](NC(=O)[C@H]([NH3+])CCOC)C(C)C ZINC000052810096 632899875 /nfs/dbraw/zinc/89/98/75/632899875.db2.gz CZNCUCMEJJUASK-ZJUUUORDSA-N 1 0 216.325 0.901 10 0 BCAERO C[C@H]1CN(c2cc(=O)[nH]cn2)C[C@@H]1[NH+](C)C ZINC000165432642 633091533 /nfs/dbraw/zinc/09/15/33/633091533.db2.gz GKWSHNCXPSPHSF-IUCAKERBSA-N 1 0 222.292 0.156 10 0 BCAERO Cc1nccn1CCn1ncc(N)c1C ZINC000704868948 633093275 /nfs/dbraw/zinc/09/32/75/633093275.db2.gz SPJVZCDKCBPIMH-UHFFFAOYSA-N 1 0 205.265 0.979 10 0 BCAERO C[C@H]([NH3+])CN(C)c1ncccc1S(C)(=O)=O ZINC000167015632 633124603 /nfs/dbraw/zinc/12/46/03/633124603.db2.gz XBSIGYDQSNHVBG-QMMMGPOBSA-N 1 0 243.332 0.269 10 0 BCAERO C[C@H]1COCCN1C(=O)[C@@H]1[NH2+]CC1(C)C ZINC000309503010 633180359 /nfs/dbraw/zinc/18/03/59/633180359.db2.gz MCSSWEMVPONHSN-IUCAKERBSA-N 1 0 212.293 0.232 10 0 BCAERO O=C1CCCN1CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000172502620 633228380 /nfs/dbraw/zinc/22/83/80/633228380.db2.gz VBEVWFFSKGYMST-NSHDSACASA-N 1 0 223.320 0.346 10 0 BCAERO Cc1cc(C)c(NC(=O)[C@@H]([NH3+])CO)c(C)c1 ZINC000221645814 633234283 /nfs/dbraw/zinc/23/42/83/633234283.db2.gz VBSUCGHGCSDNNQ-JTQLQIEISA-N 1 0 222.288 0.870 10 0 BCAERO [NH3+]C1CC(CNS(=O)(=O)CCC2CCC2)C1 ZINC000304563790 635942578 /nfs/dbraw/zinc/94/25/78/635942578.db2.gz ZAMYMSCISPQCNT-UHFFFAOYSA-N 1 0 246.376 0.833 10 0 BCAERO C[C@H]1[C@@H](N(C)C)CC[N@@H+]1CC(C)(C)O ZINC000307329513 635986232 /nfs/dbraw/zinc/98/62/32/635986232.db2.gz LWIFTMNJGVYEKB-UWVGGRQHSA-N 1 0 200.326 0.782 10 0 BCAERO CC[N@@H+]1CC[C@H](NC(=O)n2ccnc2)C1 ZINC000307383269 635987424 /nfs/dbraw/zinc/98/74/24/635987424.db2.gz IKGPVLCXXFANDL-VIFPVBQESA-N 1 0 208.265 0.535 10 0 BCAERO CC(C)[C@@H](C)NC(=O)CO[C@H]1CCC[NH2+]C1 ZINC000049308745 636058233 /nfs/dbraw/zinc/05/82/33/636058233.db2.gz AZWWDEQUZMSCON-MNOVXSKESA-N 1 0 228.336 0.916 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N=c1sccn1C ZINC000309838943 633822862 /nfs/dbraw/zinc/82/28/62/633822862.db2.gz NJZPXDDKHQYQGJ-HTQZYQBOSA-N 1 0 225.317 0.369 10 0 BCAERO C[NH2+][C@@H](C)CNC(=O)c1ccc(N)cc1 ZINC000309505631 633940163 /nfs/dbraw/zinc/94/01/63/633940163.db2.gz VVCKTXHXIHKMGP-QMMMGPOBSA-N 1 0 207.277 0.607 10 0 BCAERO CC(C)OC(=O)CNC(=O)[C@@]1(C)CCC[NH2+]1 ZINC000312262344 634005975 /nfs/dbraw/zinc/00/59/75/634005975.db2.gz ACMMPKFUVZIRKX-LLVKDONJSA-N 1 0 228.292 0.196 10 0 BCAERO CCCOC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](CO)C1 ZINC000190859570 634198032 /nfs/dbraw/zinc/19/80/32/634198032.db2.gz NKJICKMYQLPACV-VWYCJHECSA-N 1 0 229.320 0.888 10 0 BCAERO CC(C)(C)OC(=O)N1CC[C@](O)(CC[NH3+])C1 ZINC000082347434 634216192 /nfs/dbraw/zinc/21/61/92/634216192.db2.gz QHPCJWKHVCOCAF-LLVKDONJSA-N 1 0 230.308 0.707 10 0 BCAERO CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](C[NH3+])C1 ZINC000082347419 634217143 /nfs/dbraw/zinc/21/71/43/634217143.db2.gz RIMYCVANDMMPSG-BDAKNGLRSA-N 1 0 230.308 0.563 10 0 BCAERO C[C@H](C[NH2+]C[C@@H]1CCC=CO1)N1CCOCC1 ZINC000194192948 634308548 /nfs/dbraw/zinc/30/85/48/634308548.db2.gz BCRNNKBCBAJSCL-OLZOCXBDSA-N 1 0 240.347 0.989 10 0 BCAERO [NH3+]C1CC(C(=O)NCCc2ccncc2)C1 ZINC000258686234 635187911 /nfs/dbraw/zinc/18/79/11/635187911.db2.gz JPWNLMVPCJQRFO-UHFFFAOYSA-N 1 0 219.288 0.478 10 0 BCAERO C[C@H]([NH3+])CCNc1cc(N(C)C)ncn1 ZINC000258744580 635194591 /nfs/dbraw/zinc/19/45/91/635194591.db2.gz WLQNVTCMTADLEE-QMMMGPOBSA-N 1 0 209.297 0.692 10 0 BCAERO CN(Cc1cccnc1)C(=O)C1CC([NH3+])C1 ZINC000258826903 635208911 /nfs/dbraw/zinc/20/89/11/635208911.db2.gz YRNDTFAGZGXQRL-UHFFFAOYSA-N 1 0 219.288 0.777 10 0 BCAERO [NH3+][C@@H](CO)C(=O)NCc1ccc(Cl)s1 ZINC000259018456 635233035 /nfs/dbraw/zinc/23/30/35/635233035.db2.gz SNIRCQRCQHWEDW-LURJTMIESA-N 1 0 234.708 0.337 10 0 BCAERO Cc1ccc(O)c(C[NH2+][C@H](C)[C@@H](C)O)n1 ZINC000336752496 635258870 /nfs/dbraw/zinc/25/88/70/635258870.db2.gz GXSQEOYGSZCCBK-RKDXNWHRSA-N 1 0 210.277 0.955 10 0 BCAERO C[NH2+][C@H](C)C(=O)Nc1ccccc1C(=O)N(C)C ZINC000054072778 635344863 /nfs/dbraw/zinc/34/48/63/635344863.db2.gz YIZINKAIDXGQLR-SECBINFHSA-N 1 0 249.314 0.935 10 0 BCAERO C[NH2+][C@H](C)C(=O)Nc1cccnc1OC ZINC000054073911 635345708 /nfs/dbraw/zinc/34/57/08/635345708.db2.gz WAVYSDCGVOXYQO-SSDOTTSWSA-N 1 0 209.249 0.637 10 0 BCAERO Cc1cnn(CCNC(=O)C[C@@H]([NH3+])C2CC2)c1 ZINC000235937174 635591920 /nfs/dbraw/zinc/59/19/20/635591920.db2.gz DAPZRKBOUVZOGX-LLVKDONJSA-N 1 0 236.319 0.435 10 0 BCAERO [NH3+]C1(C(=O)NC[C@@H]2CCCC[C@@H]2O)CCC1 ZINC000088051341 635800042 /nfs/dbraw/zinc/80/00/42/635800042.db2.gz AUHOZSZCZBLHKJ-UWVGGRQHSA-N 1 0 226.320 0.535 10 0 BCAERO Cc1nnc2c(N3CCC[C@@H]3C[NH3+])nccn12 ZINC000079473173 636386695 /nfs/dbraw/zinc/38/66/95/636386695.db2.gz OEOVZYBITGHROZ-SECBINFHSA-N 1 0 232.291 0.360 10 0 BCAERO COC(=O)[C@@H]1CCCCN1C(=O)[C@@H](C)C[NH3+] ZINC000054340890 636425953 /nfs/dbraw/zinc/42/59/53/636425953.db2.gz AGNHPYFLHMDJNS-IUCAKERBSA-N 1 0 228.292 0.135 10 0 BCAERO CC(C)(C)OC(=O)N1CCO[C@](C)(C[NH3+])C1 ZINC000669371642 636546476 /nfs/dbraw/zinc/54/64/76/636546476.db2.gz MYIPIPRNKXZSDL-LLVKDONJSA-N 1 0 230.308 0.971 10 0 BCAERO CCCNC(=O)N[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000669372402 636549645 /nfs/dbraw/zinc/54/96/45/636549645.db2.gz REYIUEPCQJNUOB-RNFRBKRXSA-N 1 0 239.241 0.846 10 0 BCAERO c1[nH]nnc1SCCN[C@@H]1CCC[NH2+]C1 ZINC000067739485 636781026 /nfs/dbraw/zinc/78/10/26/636781026.db2.gz BUSCSMDABMSWOJ-MRVPVSSYSA-N 1 0 227.337 0.238 10 0 BCAERO [NH3+][C@H]1CCC[C@@H](C(=O)NCc2c[nH]cn2)C1 ZINC000084081090 636875742 /nfs/dbraw/zinc/87/57/42/636875742.db2.gz TXJVGWOACQCDME-BDAKNGLRSA-N 1 0 222.292 0.543 10 0 BCAERO [NH3+][C@@H]1CCCN(c2nnnn2-c2ccccc2)C1 ZINC000041030232 636953076 /nfs/dbraw/zinc/95/30/76/636953076.db2.gz GHUBERSACLPZNK-SNVBAGLBSA-N 1 0 244.302 0.590 10 0 BCAERO CCc1nc[nH]c1C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000906593150 638214924 /nfs/dbraw/zinc/21/49/24/638214924.db2.gz CHFHUMUFHVAFOA-JTQLQIEISA-N 1 0 248.330 0.892 10 0 BCAERO CCCc1nc([C@@H]2C[NH2+]CCO2)n(C)n1 ZINC000054697574 640303346 /nfs/dbraw/zinc/30/33/46/640303346.db2.gz YEISITRBPCJUFW-QMMMGPOBSA-N 1 0 210.281 0.429 10 0 BCAERO CC(C)c1nc(CN2CC[NH2+]CC2)n(C)n1 ZINC000054697868 640305231 /nfs/dbraw/zinc/30/52/31/640305231.db2.gz FBFRHSHBFDPKFC-UHFFFAOYSA-N 1 0 223.324 0.344 10 0 BCAERO CCc1nc([C@@H](C)N2CC[NH2+]CC2)n(C)n1 ZINC000054696814 640306391 /nfs/dbraw/zinc/30/63/91/640306391.db2.gz WWAFARFTADDBHO-SECBINFHSA-N 1 0 223.324 0.344 10 0 BCAERO C[C@@H]1C[C@H]1c1noc([C@H]2C[C@@H](O)C[NH2+]2)n1 ZINC000163753887 640416615 /nfs/dbraw/zinc/41/66/15/640416615.db2.gz YBWCCKXBWWXLQN-WCTZXXKLSA-N 1 0 209.249 0.588 10 0 BCAERO CC[NH2+]CC(=O)N[C@H]1CCC[C@H](O)C1 ZINC000044647612 640446668 /nfs/dbraw/zinc/44/66/68/640446668.db2.gz MNUDUUQRFIKRJG-IUCAKERBSA-N 1 0 200.282 0.016 10 0 BCAERO C[NH+](C)CCNC(=S)NCC[C@@H]1CCCO1 ZINC000055353200 640458150 /nfs/dbraw/zinc/45/81/50/640458150.db2.gz HRFBDPHRVGOJAX-JTQLQIEISA-N 1 0 245.392 0.581 10 0 BCAERO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)n1ccnc1 ZINC000044727494 640461188 /nfs/dbraw/zinc/46/11/88/640461188.db2.gz UJHPXQMLEVCKRT-SECBINFHSA-N 1 0 220.276 0.678 10 0 BCAERO C[C@@H](C[NH3+])C(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000044796091 640464766 /nfs/dbraw/zinc/46/47/66/640464766.db2.gz QOTXOAPSZZXZCU-DJLDLDEBSA-N 1 0 200.282 0.217 10 0 BCAERO Cc1cc(C(=O)N[C@H]2C[NH+]3CCC2CC3)on1 ZINC000222555109 640493482 /nfs/dbraw/zinc/49/34/82/640493482.db2.gz YZKGDVWWBPAYIT-JTQLQIEISA-N 1 0 235.287 0.807 10 0 BCAERO O=C(N[C@H]1C[NH+]2CCC1CC2)[C@@H]1CCCO1 ZINC000222590990 640494041 /nfs/dbraw/zinc/49/40/41/640494041.db2.gz ADHXQIPYXZTTHH-QWRGUYRKSA-N 1 0 224.304 0.376 10 0 BCAERO CCOC(=O)[C@@](C)([NH3+])CCn1cc(C)cn1 ZINC000045436451 640559322 /nfs/dbraw/zinc/55/93/22/640559322.db2.gz DFMRGQKSBQYZGC-NSHDSACASA-N 1 0 225.292 0.862 10 0 BCAERO CCc1nccn1C[C@H]([NH2+]C(C)C)C(N)=O ZINC000045460512 640566688 /nfs/dbraw/zinc/56/66/88/640566688.db2.gz SMMCQHIRBOHKHK-VIFPVBQESA-N 1 0 224.308 0.297 10 0 BCAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)N[C@H](C)C(=O)OC ZINC000157356882 640671080 /nfs/dbraw/zinc/67/10/80/640671080.db2.gz FCQQYMLKPAVCGT-BWZBUEFSSA-N 1 0 216.281 0.038 10 0 BCAERO CC(C)Cc1nc([C@@H]([NH3+])[C@H](C)O)n(C)n1 ZINC000054698978 640711246 /nfs/dbraw/zinc/71/12/46/640711246.db2.gz OHWWKZYTDBZECS-CBAPKCEASA-N 1 0 212.297 0.394 10 0 BCAERO Cc1cc(=O)c(C(=O)N[C@H]2CCC[C@H]2C[NH3+])c[nH]1 ZINC000226270142 640745525 /nfs/dbraw/zinc/74/55/25/640745525.db2.gz KMYCVGRAGJWRAX-ONGXEEELSA-N 1 0 249.314 0.541 10 0 BCAERO CC(C)C[C@H](O)CNC(=O)[C@H]1CC[NH2+]C1 ZINC000226368975 640754668 /nfs/dbraw/zinc/75/46/68/640754668.db2.gz OLPUUOKIDZCJFZ-UWVGGRQHSA-N 1 0 214.309 0.119 10 0 BCAERO CS[C@@H]1CC[C@H](NC(=O)[C@@H]2CC[NH2+]C2)C1 ZINC000226375426 640756574 /nfs/dbraw/zinc/75/65/74/640756574.db2.gz LSWAJKOINXGWFU-KXUCPTDWSA-N 1 0 228.361 0.996 10 0 BCAERO CSC(C)(C)CNC(=O)[C@H]1CC[NH2+]C1 ZINC000158270810 640826347 /nfs/dbraw/zinc/82/63/47/640826347.db2.gz UUNMPIOTZOSEJV-QMMMGPOBSA-N 1 0 216.350 0.854 10 0 BCAERO CCCCOC(=O)CN1CCC[C@H]1C[NH3+] ZINC000168921540 640831075 /nfs/dbraw/zinc/83/10/75/640831075.db2.gz BQJIVJHDVHABTP-JTQLQIEISA-N 1 0 214.309 0.753 10 0 BCAERO C[C@H]([NH3+])[C@H]1CN(C[C@@H]2CCCO2)CCO1 ZINC000169172775 640842762 /nfs/dbraw/zinc/84/27/62/640842762.db2.gz BFNUYCAFNWLBHM-GARJFASQSA-N 1 0 214.309 0.213 10 0 BCAERO CCCCOC[C@H](O)C[NH2+]CC[S@](C)=O ZINC000227896597 640852009 /nfs/dbraw/zinc/85/20/09/640852009.db2.gz WKIHXSPOEIGQOI-BMIGLBTASA-N 1 0 237.365 0.132 10 0 BCAERO [NH3+][C@@H]1CC[C@H](C(=O)NC[C@@H](O)c2ccccc2)C1 ZINC000227875197 640852751 /nfs/dbraw/zinc/85/27/51/640852751.db2.gz BVUUARHXCGWOBW-YNEHKIRRSA-N 1 0 248.326 0.964 10 0 BCAERO CCCCOC[C@H](O)CN(C)C1C[NH2+]C1 ZINC000227911082 640853344 /nfs/dbraw/zinc/85/33/44/640853344.db2.gz NTVGXNXJUUSUSL-LLVKDONJSA-N 1 0 216.325 0.068 10 0 BCAERO CCCCOC[C@@H](O)CN1[C@H](C)C[NH2+]C[C@@H]1C ZINC000227910565 640853766 /nfs/dbraw/zinc/85/37/66/640853766.db2.gz BIIIQWMSMOWIFC-XQQFMLRXSA-N 1 0 244.379 0.846 10 0 BCAERO [NH3+][C@H](CC(=O)NC[C@@H]1CCC[C@@H]1O)C1CC1 ZINC000228539500 640880358 /nfs/dbraw/zinc/88/03/58/640880358.db2.gz LECBYMZFFLEZDV-AXFHLTTASA-N 1 0 226.320 0.391 10 0 BCAERO COCC[N@@H+]1C[C@H](C)[C@@H](C(=O)OC)C1 ZINC000087400419 640884584 /nfs/dbraw/zinc/88/45/84/640884584.db2.gz LWYHNWQOCCVYOQ-IUCAKERBSA-N 1 0 201.266 0.374 10 0 BCAERO CCCNC(=O)C[N@H+]1C[C@H](C(=O)OC)[C@H](C)C1 ZINC000228698733 640890315 /nfs/dbraw/zinc/89/03/15/640890315.db2.gz ROFDICAMLDEBBV-ZJUUUORDSA-N 1 0 242.319 0.254 10 0 BCAERO CC(C)C[C@@H](O)CNC(=O)C1([NH3+])CCOCC1 ZINC000229217052 640934365 /nfs/dbraw/zinc/93/43/65/640934365.db2.gz ZCARPJOPBQSUAB-SNVBAGLBSA-N 1 0 244.335 0.018 10 0 BCAERO C[S@](=O)CCN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000229284638 640941848 /nfs/dbraw/zinc/94/18/48/640941848.db2.gz FUHAOSUJTLDZMQ-YGRLFVJLSA-N 1 0 216.350 0.145 10 0 BCAERO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)[C@@H]1CCCO1 ZINC000061882812 641003393 /nfs/dbraw/zinc/00/33/93/641003393.db2.gz LKPIJOGNVKPXHW-UTLUCORTSA-N 1 0 212.293 0.409 10 0 BCAERO OCc1cnc(N2CC[N@@H+]3CCC[C@@H]3C2)cn1 ZINC000230082538 641018094 /nfs/dbraw/zinc/01/80/94/641018094.db2.gz HHKLGKFOZDBHGE-LLVKDONJSA-N 1 0 234.303 0.253 10 0 BCAERO O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)[C@H]1CC[NH2+]C1 ZINC000062113060 641020997 /nfs/dbraw/zinc/02/09/97/641020997.db2.gz WYTYRGVUTFOZTL-ZETCQYMHSA-N 1 0 246.270 0.404 10 0 BCAERO C(c1noc([C@H]2CC[NH2+]C2)n1)[C@@H]1CCCO1 ZINC000062119545 641023781 /nfs/dbraw/zinc/02/37/81/641023781.db2.gz AUJFZHVITXFQTD-IUCAKERBSA-N 1 0 223.276 0.868 10 0 BCAERO C(c1noc([C@@H]2CC[NH2+]C2)n1)[C@H]1CCCO1 ZINC000062119542 641024042 /nfs/dbraw/zinc/02/40/42/641024042.db2.gz AUJFZHVITXFQTD-RKDXNWHRSA-N 1 0 223.276 0.868 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1CCCOC1 ZINC000062192547 641025259 /nfs/dbraw/zinc/02/52/59/641025259.db2.gz NGRWERVGLRRXBV-AXFHLTTASA-N 1 0 226.320 0.657 10 0 BCAERO COC(=O)[C@@H]([NH3+])CCn1cc(Cl)cn1 ZINC000062536219 641060116 /nfs/dbraw/zinc/06/01/16/641060116.db2.gz IYXZUVNPKRQZPY-ZETCQYMHSA-N 1 0 217.656 0.427 10 0 BCAERO C[C@H](OC1C[NH2+]C1)C(=O)NC1CCCC1 ZINC000062809773 641093732 /nfs/dbraw/zinc/09/37/32/641093732.db2.gz RJLJJKMHJFENKH-QMMMGPOBSA-N 1 0 212.293 0.422 10 0 BCAERO C([C@H]1CCC[NH2+]1)N1CC[C@H](N2CCOCC2)C1 ZINC000062980304 641114484 /nfs/dbraw/zinc/11/44/84/641114484.db2.gz OPYPZMJWNFVHMN-OLZOCXBDSA-N 1 0 239.363 0.145 10 0 BCAERO CCCCOC(=O)CN1CC[C@H]([NH+](C)C)C1 ZINC000062966194 641117859 /nfs/dbraw/zinc/11/78/59/641117859.db2.gz KWMRBEQWUBXFQZ-NSHDSACASA-N 1 0 228.336 0.966 10 0 BCAERO Cc1c(C[NH2+]CCc2ccnn2C)cnn1C ZINC000231033298 641128028 /nfs/dbraw/zinc/12/80/28/641128028.db2.gz IVTLORUSAWQYTA-UHFFFAOYSA-N 1 0 233.319 0.794 10 0 BCAERO CCS(=O)(=O)CC[NH2+][C@H]1CCCC[C@@H]1CO ZINC000231312616 641154604 /nfs/dbraw/zinc/15/46/04/641154604.db2.gz HXMKEUKIWBGLND-MNOVXSKESA-N 1 0 249.376 0.562 10 0 BCAERO CN(Cc1cnc(N)cn1)C[C@H]1CC[N@H+](C)C1 ZINC000231299754 641156541 /nfs/dbraw/zinc/15/65/41/641156541.db2.gz YRFJFTPTBVYDJR-JTQLQIEISA-N 1 0 235.335 0.442 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N(C)Cc1cccnc1 ZINC000088002900 641222884 /nfs/dbraw/zinc/22/28/84/641222884.db2.gz VZSBJWQIPLFXFK-SNVBAGLBSA-N 1 0 223.276 0.014 10 0 BCAERO Cc1ocnc1C(=O)NC[C@H]1CC[NH2+]C1 ZINC000261539324 641432551 /nfs/dbraw/zinc/43/25/51/641432551.db2.gz CCWCVAYTJZDVQL-QMMMGPOBSA-N 1 0 209.249 0.322 10 0 BCAERO C[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2)n1cccn1 ZINC000040740445 641535230 /nfs/dbraw/zinc/53/52/30/641535230.db2.gz JHNLALPZBQOJHL-WSMDXJOWSA-N 1 0 248.330 0.843 10 0 BCAERO CCS(=O)(=O)CC[NH2+][C@H](CO)CC(C)C ZINC000040777498 641537092 /nfs/dbraw/zinc/53/70/92/641537092.db2.gz QXDVAMNOJDGOPQ-JTQLQIEISA-N 1 0 237.365 0.418 10 0 BCAERO CC[C@H]([NH3+])C(=O)N(C)C[C@H]1CCCO1 ZINC000042465871 641551989 /nfs/dbraw/zinc/55/19/89/641551989.db2.gz FMRXGQGKGBHDEQ-BDAKNGLRSA-N 1 0 200.282 0.361 10 0 BCAERO CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(N)cn2)C1 ZINC000156823091 641609629 /nfs/dbraw/zinc/60/96/29/641609629.db2.gz LIOFJCSVSCXTHT-NSHDSACASA-N 1 0 248.330 0.878 10 0 BCAERO Cc1cc(=O)[nH]cc1C(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000158022401 641626696 /nfs/dbraw/zinc/62/66/96/641626696.db2.gz OJVVGZWFGMSRAJ-ONGXEEELSA-N 1 0 249.314 0.541 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)NCC(=O)N(CC)CC ZINC000158298751 641628105 /nfs/dbraw/zinc/62/81/05/641628105.db2.gz NSEKYZNIUITEDL-SECBINFHSA-N 1 0 229.324 0.098 10 0 BCAERO CCC[C@H]([NH3+])C(=O)NCC(=O)N(CC)CC ZINC000158298609 641628841 /nfs/dbraw/zinc/62/88/41/641628841.db2.gz NSEKYZNIUITEDL-VIFPVBQESA-N 1 0 229.324 0.098 10 0 BCAERO CCO[C@H](C)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000158445316 641636170 /nfs/dbraw/zinc/63/61/70/641636170.db2.gz DPTCVUFOBRDWRE-BDAKNGLRSA-N 1 0 200.282 0.361 10 0 BCAERO O[C@@H](C[NH2+]C[C@@H]1CCCO1)c1cccnc1 ZINC000032014235 641711488 /nfs/dbraw/zinc/71/14/88/641711488.db2.gz QZOCTWHKAWWFQB-RYUDHWBXSA-N 1 0 222.288 0.884 10 0 BCAERO C[C@H](C(N)=O)[N@H+](C)Cc1cccc(N)c1 ZINC000035360019 641759931 /nfs/dbraw/zinc/75/99/31/641759931.db2.gz BGPYJGXPITYQLY-MRVPVSSYSA-N 1 0 207.277 0.574 10 0 BCAERO CC[C@](C)(O)C[NH2+][C@H](C)c1nnnn1C1CC1 ZINC000191488100 641925181 /nfs/dbraw/zinc/92/51/81/641925181.db2.gz DYOWAYDESSLDKW-KCJUWKMLSA-N 1 0 239.323 0.820 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)N[C@](C)(CCC)C(=O)OC ZINC000154208803 641980718 /nfs/dbraw/zinc/98/07/18/641980718.db2.gz UZMJBQPZJOKAOF-BXKDBHETSA-N 1 0 244.335 0.962 10 0 BCAERO C[C@@H](CO)[N@H+](CCO)Cc1ccccc1 ZINC000033867945 642411289 /nfs/dbraw/zinc/41/12/89/642411289.db2.gz BWDVWNULJDLPRM-NSHDSACASA-N 1 0 209.289 0.862 10 0 BCAERO Cc1ccncc1NC(=O)[C@@H]1C[NH2+]CCOC1 ZINC000649301669 642658491 /nfs/dbraw/zinc/65/84/91/642658491.db2.gz MECIQABKDBJZSN-SNVBAGLBSA-N 1 0 235.287 0.565 10 0 BCAERO CCC[C@H](OC1C[NH2+]C1)C(=O)OCC ZINC000233380751 642664692 /nfs/dbraw/zinc/66/46/92/642664692.db2.gz MXWLDYAQXKSPAR-VIFPVBQESA-N 1 0 201.266 0.707 10 0 BCAERO CCN(CC)C(=O)CN1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000233443968 642673346 /nfs/dbraw/zinc/67/33/46/642673346.db2.gz DTEQFCYRBUCLOS-ZJUUUORDSA-N 1 0 213.325 0.134 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@H]1NS(=O)(=O)CCCF ZINC000238054993 642776323 /nfs/dbraw/zinc/77/63/23/642776323.db2.gz KEJQYINPDXFWQW-DTWKUNHWSA-N 1 0 238.328 0.393 10 0 BCAERO c1ncn(CC[NH2+][C@@H]2CCCc3n[nH]cc32)n1 ZINC000353404003 642827149 /nfs/dbraw/zinc/82/71/49/642827149.db2.gz LPRPGFIASMGISI-SNVBAGLBSA-N 1 0 232.291 0.668 10 0 BCAERO O[C@H](C[N@@H+]1CC[C@H](N2CCOCC2)C1)C1CC1 ZINC000069092356 642829930 /nfs/dbraw/zinc/82/99/30/642829930.db2.gz DSHJTTLOGJMXRG-QWHCGFSZSA-N 1 0 240.347 0.164 10 0 BCAERO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1c1ccccn1 ZINC000080601892 642846855 /nfs/dbraw/zinc/84/68/55/642846855.db2.gz UXWYDCAPQPYWIH-NXEZZACHSA-N 1 0 220.272 0.948 10 0 BCAERO COCCOCC[N@@H+]1CCC[C@H](C(C)=O)C1 ZINC000070027405 642957663 /nfs/dbraw/zinc/95/76/63/642957663.db2.gz HUZURDHLRYFEIX-LBPRGKRZSA-N 1 0 229.320 0.950 10 0 BCAERO CCCN(C[C@@H](O)COC(C)C)[C@@H]1CC[NH2+]C1 ZINC000070100148 642969098 /nfs/dbraw/zinc/96/90/98/642969098.db2.gz GJKYPHQEIMJSRJ-CHWSQXEVSA-N 1 0 244.379 0.846 10 0 BCAERO O=C(C[NH2+]C1CC1)N[C@H]1COc2ccccc21 ZINC000070530578 643033434 /nfs/dbraw/zinc/03/34/34/643033434.db2.gz DRQNZALLNDUVNK-NSHDSACASA-N 1 0 232.283 0.988 10 0 BCAERO O=C1NCCN1CC[NH2+]CCc1ccccc1 ZINC000020050767 643055045 /nfs/dbraw/zinc/05/50/45/643055045.db2.gz KYNMBMWHVIELNW-UHFFFAOYSA-N 1 0 233.315 0.844 10 0 BCAERO Cc1ccn(CC[C@H]([NH2+]C(C)C)C(N)=O)n1 ZINC000070686354 643059249 /nfs/dbraw/zinc/05/92/49/643059249.db2.gz BLAQVIZWPVMQPI-JTQLQIEISA-N 1 0 224.308 0.434 10 0 BCAERO C[NH2+][C@](Cn1ccc(C)n1)(C(N)=O)C1CC1 ZINC000070686363 643059617 /nfs/dbraw/zinc/05/96/17/643059617.db2.gz QZWRAPKWBSIGKX-NSHDSACASA-N 1 0 222.292 0.045 10 0 BCAERO Cc1ccnn1CCCC[C@](C)([NH3+])C(N)=O ZINC000070687004 643060882 /nfs/dbraw/zinc/06/08/82/643060882.db2.gz IGFMLNPMPBIGTN-NSHDSACASA-N 1 0 224.308 0.565 10 0 BCAERO Cc1c(Cl)cnn1C[C@]([NH3+])(C(N)=O)C1CC1 ZINC000070704566 643061923 /nfs/dbraw/zinc/06/19/23/643061923.db2.gz OJFVHMKLGQUFSM-SNVBAGLBSA-N 1 0 242.710 0.438 10 0 BCAERO C[NH2+][C@](C)(CCn1ncc(Cl)c1C)C(N)=O ZINC000070704507 643063550 /nfs/dbraw/zinc/06/35/50/643063550.db2.gz WRNWPWAWFYINNH-SNVBAGLBSA-N 1 0 244.726 0.698 10 0 BCAERO Cc1c(Cl)cnn1C[C@@]([NH3+])(C(N)=O)C1CC1 ZINC000070704569 643063756 /nfs/dbraw/zinc/06/37/56/643063756.db2.gz OJFVHMKLGQUFSM-JTQLQIEISA-N 1 0 242.710 0.438 10 0 BCAERO Cn1nccc1CC[NH2+]C[C@@H](O)C(C)(C)C ZINC000304195671 643085176 /nfs/dbraw/zinc/08/51/76/643085176.db2.gz BHDLDKBHXZISQO-LLVKDONJSA-N 1 0 225.336 0.959 10 0 BCAERO CC(C)(C[NH3+])C(=O)N[C@H]1CCCOC1 ZINC000071013928 643093706 /nfs/dbraw/zinc/09/37/06/643093706.db2.gz KINHPKKAZDVYRF-QMMMGPOBSA-N 1 0 200.282 0.267 10 0 BCAERO O=C1NCCC[C@@H]1[NH2+]Cc1cnn2ccccc12 ZINC000071373442 643133235 /nfs/dbraw/zinc/13/32/35/643133235.db2.gz SVZGHCYGIPAGPP-NSHDSACASA-N 1 0 244.298 0.703 10 0 BCAERO CNC(=O)[C@H]([NH2+]CC[C@@H]1CCOC1=O)C(C)C ZINC000183680034 643154244 /nfs/dbraw/zinc/15/42/44/643154244.db2.gz XWPNUUMALNPTJX-NXEZZACHSA-N 1 0 242.319 0.300 10 0 BCAERO CC(C)(CO)[NH2+]CC(=O)N1CCCCC1 ZINC000035114313 643248181 /nfs/dbraw/zinc/24/81/81/643248181.db2.gz MGBXKYDYJOHYJT-UHFFFAOYSA-N 1 0 214.309 0.359 10 0 BCAERO C1C[C@@]2(CO1)CC[NH2+]C1(CCOCC1)O2 ZINC000757144252 643315812 /nfs/dbraw/zinc/31/58/12/643315812.db2.gz NJVZDTLEIVZFCO-SNVBAGLBSA-N 1 0 213.277 0.662 10 0 BCAERO [NH3+]C[C@@H]1CCN1CCCOCC(F)(F)F ZINC000757149199 643335179 /nfs/dbraw/zinc/33/51/79/643335179.db2.gz YVLUMTGMQLALHG-QMMMGPOBSA-N 1 0 226.242 0.988 10 0 BCAERO CCCc1nccc(N2CC[C@@H]2C[NH3+])n1 ZINC000757152006 643343366 /nfs/dbraw/zinc/34/33/66/643343366.db2.gz RBEUNGDEQBUDFO-SECBINFHSA-N 1 0 206.293 0.967 10 0 BCAERO CCOCCN(CC)C(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000082560222 643343734 /nfs/dbraw/zinc/34/37/34/643343734.db2.gz RZLYYXCRFMGVDX-GHMZBOCLSA-N 1 0 228.336 0.727 10 0 BCAERO CC[C@H](C)[C@@H]([NH3+])CS(=O)(=O)N(C)C ZINC000757154094 643345996 /nfs/dbraw/zinc/34/59/96/643345996.db2.gz VQROWBKSAKSXMJ-YUMQZZPRSA-N 1 0 208.327 0.251 10 0 BCAERO NC(=O)c1cc(N2CCC[C@@H]2C[NH3+])ccn1 ZINC000082592952 643350843 /nfs/dbraw/zinc/35/08/43/643350843.db2.gz KGXGDRHQZMLNHE-SECBINFHSA-N 1 0 220.276 0.108 10 0 BCAERO CCN(CC[NH3+])c1ncnc2c1CCC2 ZINC000082591945 643351349 /nfs/dbraw/zinc/35/13/49/643351349.db2.gz XSVRXNPYMSLRES-UHFFFAOYSA-N 1 0 206.293 0.750 10 0 BCAERO CC(=O)[C@H]1CCC[N@@H+](CC(=O)N(C)C)C1 ZINC000082644508 643360206 /nfs/dbraw/zinc/36/02/06/643360206.db2.gz GRMNRRKABDDGSB-JTQLQIEISA-N 1 0 212.293 0.376 10 0 BCAERO CNC(=O)CCC[N@@H+]1CCC[C@@H](C(C)=O)C1 ZINC000082672645 643365031 /nfs/dbraw/zinc/36/50/31/643365031.db2.gz XKHUBLUBWSOACJ-LLVKDONJSA-N 1 0 226.320 0.814 10 0 BCAERO C[C@@H]1C[C@H]([C@H]2CCC[NH2+][C@H]2C(=O)[O-])CC[NH2+]1 ZINC000757238185 643373149 /nfs/dbraw/zinc/37/31/49/643373149.db2.gz RRVVCTHGZRAXGU-GWOFURMSSA-N 1 0 226.320 0.827 10 0 BCAERO C[C@@H]1CC[C@H]([C@@H]2CC[NH+]=C3NCCN32)O1 ZINC000235373012 643384274 /nfs/dbraw/zinc/38/42/74/643384274.db2.gz BBOXDGMWNISKHI-KXUCPTDWSA-N 1 0 209.293 0.587 10 0 BCAERO O=C(C[NH2+]CC1CC1)N[C@@H]1CCCOC1 ZINC000071023683 643411008 /nfs/dbraw/zinc/41/10/08/643411008.db2.gz FNAGDUMFSIPAOU-SNVBAGLBSA-N 1 0 212.293 0.281 10 0 BCAERO C[C@]1(C(=O)N[C@H]2CCCOC2)CC[NH2+]C1 ZINC000071023501 643411335 /nfs/dbraw/zinc/41/13/35/643411335.db2.gz JLZFDVPENBJRIJ-ONGXEEELSA-N 1 0 212.293 0.281 10 0 BCAERO COC(=O)CCN1C[C@H](C)[NH2+]C[C@H]1C ZINC000083118743 643416909 /nfs/dbraw/zinc/41/69/09/643416909.db2.gz POCNRFKLQKWXCD-DTWKUNHWSA-N 1 0 200.282 0.232 10 0 BCAERO CCCc1nccn1CC[C@@H]([NH3+])C(=O)OC ZINC000069964619 643451929 /nfs/dbraw/zinc/45/19/29/643451929.db2.gz RVCJTISXGXNZHR-SECBINFHSA-N 1 0 225.292 0.726 10 0 BCAERO C[N@@H+]1CCC[C@H]1CN1CCC2(CC1)OCCO2 ZINC000307457898 643479800 /nfs/dbraw/zinc/47/98/00/643479800.db2.gz ZUSDLQUYVVLFMI-LBPRGKRZSA-N 1 0 240.347 0.920 10 0 BCAERO [NH3+][C@@H]1CCCN(C(=O)Cc2ccc(O)cc2)C1 ZINC000041028170 643494042 /nfs/dbraw/zinc/49/40/42/643494042.db2.gz LBSJGMHGIKJHSM-LLVKDONJSA-N 1 0 234.299 0.884 10 0 BCAERO C[C@H](C[NH3+])c1noc(-c2cnsn2)n1 ZINC000307670326 643565625 /nfs/dbraw/zinc/56/56/25/643565625.db2.gz UPVCGULUWYEWJC-SCSAIBSYSA-N 1 0 211.250 0.650 10 0 BCAERO C[C@@H]([NH3+])Cc1nc(-c2cnn(C)c2)no1 ZINC000083571431 643588713 /nfs/dbraw/zinc/58/87/13/643588713.db2.gz NGSZVTDIEBZJRX-ZCFIWIBFSA-N 1 0 207.237 0.360 10 0 BCAERO CC(C)c1nnsc1C(=O)N[C@H]1CC[NH2+]C1 ZINC000083577391 643589838 /nfs/dbraw/zinc/58/98/38/643589838.db2.gz NOMORVJLRODQOY-ZETCQYMHSA-N 1 0 240.332 0.753 10 0 BCAERO CCn1cc([C@@H]2C[NH2+]C[C@H]2C(=O)OC)cn1 ZINC000234220218 643605716 /nfs/dbraw/zinc/60/57/16/643605716.db2.gz JUSRWPQSLJKOMQ-VHSXEESVSA-N 1 0 223.276 0.379 10 0 BCAERO CC[NH2+][C@]1(C(N)=O)CC[C@@H](n2cccn2)C1 ZINC000086626729 643636824 /nfs/dbraw/zinc/63/68/24/643636824.db2.gz AVTOSWQUASJRKP-MWLCHTKSSA-N 1 0 222.292 0.442 10 0 BCAERO COC(=O)CNC(=O)[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000084301965 643655776 /nfs/dbraw/zinc/65/57/76/643655776.db2.gz KMQRTFRGTHNGEL-RKDXNWHRSA-N 1 0 228.292 0.041 10 0 BCAERO CC(C)(C)[NH2+]CCC(=O)N[C@@H]1CCCNC1=O ZINC000050397797 643694626 /nfs/dbraw/zinc/69/46/26/643694626.db2.gz NETOOUDAYIKELZ-SECBINFHSA-N 1 0 241.335 0.159 10 0 BCAERO COC(CN1CC[C@H]([NH+](C)C)C1)OC ZINC000085351519 643749972 /nfs/dbraw/zinc/74/99/72/643749972.db2.gz CWUWALFLZDNPBJ-VIFPVBQESA-N 1 0 202.298 0.241 10 0 BCAERO C[C@@H]1[NH2+]CCC[C@H]1NS(=O)(=O)CC1CC1 ZINC000085727451 643789518 /nfs/dbraw/zinc/78/95/18/643789518.db2.gz RPEIJWIVIHVSGN-WCBMZHEXSA-N 1 0 232.349 0.456 10 0 BCAERO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)N1CCCC1 ZINC000085960690 643865744 /nfs/dbraw/zinc/86/57/44/643865744.db2.gz MCOITZKYDQJKLB-ZJUUUORDSA-N 1 0 211.309 0.932 10 0 BCAERO O=C(Cc1cc[nH]n1)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186517126 643899063 /nfs/dbraw/zinc/89/90/63/643899063.db2.gz ZQCZXKBUAUDQBJ-LLVKDONJSA-N 1 0 248.330 0.695 10 0 BCAERO COC(=O)[C@@]1([NH3+])CCC[C@H](n2cncn2)C1 ZINC000086604690 644154887 /nfs/dbraw/zinc/15/48/87/644154887.db2.gz DIKBJVJOYDEQFE-WCBMZHEXSA-N 1 0 224.264 0.264 10 0 BCAERO NC(=O)[C@@]1([NH3+])CCC[C@H](n2cc(Cl)cn2)C1 ZINC000086604710 644156161 /nfs/dbraw/zinc/15/61/61/644156161.db2.gz VGFIFXJEQPDHSS-WCBMZHEXSA-N 1 0 242.710 0.834 10 0 BCAERO CCOC(=O)[C@@]1([NH3+])CC[C@H](n2cccn2)C1 ZINC000086626782 644156241 /nfs/dbraw/zinc/15/62/41/644156241.db2.gz AZLRIHXUHOBVFJ-GXSJLCMTSA-N 1 0 223.276 0.869 10 0 BCAERO C[C@H]1COCCN1C(=O)CC1([NH3+])CCC1 ZINC000086853265 644192053 /nfs/dbraw/zinc/19/20/53/644192053.db2.gz ZXNKXFDYCCCFEU-VIFPVBQESA-N 1 0 212.293 0.505 10 0 BCAERO CCOCCOCC(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000193648764 644265945 /nfs/dbraw/zinc/26/59/45/644265945.db2.gz NAUCDPCCRJXBLD-QWRGUYRKSA-N 1 0 244.335 0.296 10 0 BCAERO CC[C@H]([NH3+])C(=O)N[C@H](C)[C@H]1CCCO1 ZINC000084199977 644421377 /nfs/dbraw/zinc/42/13/77/644421377.db2.gz YPDGUAKUJKTKRE-HRDYMLBCSA-N 1 0 200.282 0.407 10 0 BCAERO C[C@@H](O)CCNC(=O)CCCCC[NH3+] ZINC000084869888 644434619 /nfs/dbraw/zinc/43/46/19/644434619.db2.gz KDAKNLJHWKCNSA-SECBINFHSA-N 1 0 202.298 0.393 10 0 BCAERO C[C@H](NC(=O)C[C@@H]1C[NH2+]CCO1)C1CC1 ZINC000085619280 644443922 /nfs/dbraw/zinc/44/39/22/644443922.db2.gz AATDRCTVITXXHO-WCBMZHEXSA-N 1 0 212.293 0.280 10 0 BCAERO O=C(NC[C@H]1CCCC[C@@H]1O)[C@@H]1CCCC[NH2+]1 ZINC000085985861 644454780 /nfs/dbraw/zinc/45/47/80/644454780.db2.gz ONCIPPJFPLZSKW-WOPDTQHZSA-N 1 0 240.347 0.796 10 0 BCAERO C[C@@H](C[NH3+])Nc1ccc2nccnc2n1 ZINC000087201198 644483541 /nfs/dbraw/zinc/48/35/41/644483541.db2.gz PJSDWHUOMSFAKP-ZETCQYMHSA-N 1 0 203.249 0.784 10 0 BCAERO Cn1cc(-c2noc([C@H]3CCC[NH2+]C3)n2)cn1 ZINC000087412701 644494784 /nfs/dbraw/zinc/49/47/84/644494784.db2.gz JGPBRFHOSHENPS-QMMMGPOBSA-N 1 0 233.275 0.937 10 0 BCAERO C[C@H](NC(=O)[C@H]1CCC[NH2+]C1)[C@@H]1CCCO1 ZINC000088032199 644507876 /nfs/dbraw/zinc/50/78/76/644507876.db2.gz CZGHJLKXGWPKDJ-DCAQKATOSA-N 1 0 226.320 0.670 10 0 BCAERO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)c1ccc[nH]c1=O ZINC000089091288 644534338 /nfs/dbraw/zinc/53/43/38/644534338.db2.gz AGDBROJNPFUFFF-SCZZXKLOSA-N 1 0 235.287 0.232 10 0 BCAERO COC(=O)[C@H](C)NC(=O)[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000089389784 644547951 /nfs/dbraw/zinc/54/79/51/644547951.db2.gz LUQMDHHNMDPSMI-IVZWLZJFSA-N 1 0 242.319 0.429 10 0 BCAERO [NH3+][C@@H]1CC[C@H](C(=O)NC[C@H]2CCCC[C@H]2O)C1 ZINC000246183344 644569800 /nfs/dbraw/zinc/56/98/00/644569800.db2.gz NNYDJGHWKHKYKG-IRCOFANPSA-N 1 0 240.347 0.781 10 0 BCAERO CCN1CCO[C@H](C[NH2+]C[C@@H]2CCCOC2)C1 ZINC000092052233 644646379 /nfs/dbraw/zinc/64/63/79/644646379.db2.gz IEUCTFUWXKCKTE-QWHCGFSZSA-N 1 0 242.363 0.723 10 0 BCAERO Cc1n[nH]nc1C(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000248964151 644707542 /nfs/dbraw/zinc/70/75/42/644707542.db2.gz NLIJVMMMTKUXRB-SCZZXKLOSA-N 1 0 249.318 0.422 10 0 BCAERO CC1(CNC(=O)[C@H]2C[NH2+]CCOC2)CCC1 ZINC000643712727 644720484 /nfs/dbraw/zinc/72/04/84/644720484.db2.gz AFANLIHQKUWQAB-JTQLQIEISA-N 1 0 226.320 0.529 10 0 BCAERO COCCC[N@H+]1C[C@H](C(=O)OC)[C@H](C)C1 ZINC000094996623 644735217 /nfs/dbraw/zinc/73/52/17/644735217.db2.gz AVGAVMANSZQNKC-ZJUUUORDSA-N 1 0 215.293 0.764 10 0 BCAERO COCCOCC[N@@H+]1C[C@H](C)[C@@H](C(=O)OC)C1 ZINC000094996855 644737875 /nfs/dbraw/zinc/73/78/75/644737875.db2.gz NBOJHVSVMUTZFD-QWRGUYRKSA-N 1 0 245.319 0.390 10 0 BCAERO COC(=O)[C@H]1C[N@H+](Cc2cccnc2N)C[C@@H]1C ZINC000095022116 644739407 /nfs/dbraw/zinc/73/94/07/644739407.db2.gz AHBNZANRWMILKZ-ONGXEEELSA-N 1 0 249.314 0.905 10 0 BCAERO [NH3+][C@@H]1CCC[C@@H](C(=O)N[C@H]2CCCOC2)C1 ZINC000250658053 644774769 /nfs/dbraw/zinc/77/47/69/644774769.db2.gz ORSQWYMUQZOYOK-MXWKQRLJSA-N 1 0 226.320 0.799 10 0 BCAERO CCC[C@](C)([NH3+])C(=O)NC[C@@H]1CCC[C@H]1O ZINC000251332102 644803075 /nfs/dbraw/zinc/80/30/75/644803075.db2.gz NLLCPCHYXHESDA-UMNHJUIQSA-N 1 0 228.336 0.781 10 0 BCAERO C[C@@H]1CCC[C@H]([NH2+][C@@H]2CS(=O)(=O)C[C@H]2O)C1 ZINC000252439676 644850882 /nfs/dbraw/zinc/85/08/82/644850882.db2.gz RJXUWCNWEYAUNA-LMLFDSFASA-N 1 0 247.360 0.313 10 0 BCAERO C[C@@H]1C[C@H]([C@@H]2CC[C@H](C(=O)[O-])[NH2+]C2)CC[NH2+]1 ZINC000757242450 644865340 /nfs/dbraw/zinc/86/53/40/644865340.db2.gz YMXSIUQDDDHVOG-GWOFURMSSA-N 1 0 226.320 0.827 10 0 BCAERO C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1C(=O)NCC1CC([NH3+])C1 ZINC000252667309 644873434 /nfs/dbraw/zinc/87/34/34/644873434.db2.gz ILSXUYFZHVIYDU-XFEXGPKLSA-N 1 0 240.347 0.899 10 0 BCAERO [NH3+][C@@H](CC1CC1)C(=O)NCC[C@@H]1CCCO1 ZINC000304299136 644890142 /nfs/dbraw/zinc/89/01/42/644890142.db2.gz AVMVIALETXYMOC-QWRGUYRKSA-N 1 0 226.320 0.799 10 0 BCAERO C[C@@H]1CN(C(=O)[C@H]([NH3+])CC2CC2)C[C@@H](C)O1 ZINC000304343457 644894745 /nfs/dbraw/zinc/89/47/45/644894745.db2.gz JFEDHRYQBJEALV-FXPVBKGRSA-N 1 0 226.320 0.750 10 0 BCAERO COc1cc(C)nc(N2C[C@@H](C)[NH2+]C[C@H]2C)n1 ZINC000252758108 644900721 /nfs/dbraw/zinc/90/07/21/644900721.db2.gz FIXRNQKVXAFEJU-NXEZZACHSA-N 1 0 236.319 0.980 10 0 BCAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1c1ncc(C=O)cn1 ZINC000252809011 644910515 /nfs/dbraw/zinc/91/05/15/644910515.db2.gz FARJKQUYFVKUNB-JQWIXIFHSA-N 1 0 246.314 0.962 10 0 BCAERO O=C1CC[C@H]([NH2+][C@@H]2CCC[C@H]3C[C@H]32)C(=O)N1 ZINC000304602926 644919726 /nfs/dbraw/zinc/91/97/26/644919726.db2.gz QQAPZPCULCQIAE-JLIMGVALSA-N 1 0 222.288 0.570 10 0 BCAERO CC[C@H]([NH2+][C@@H]1CCNC1=O)[C@H]1CCCOC1 ZINC000724005308 711554245 /nfs/dbraw/zinc/55/42/45/711554245.db2.gz YOPXTGFHJIDBEX-GARJFASQSA-N 1 0 226.320 0.670 10 0 BCAERO COc1cc(C[N@@H+]2C[C@@H](C)[C@H](CO)C2)on1 ZINC000708686666 711964036 /nfs/dbraw/zinc/96/40/36/711964036.db2.gz LAGXXRJPDSGUGC-BDAKNGLRSA-N 1 0 226.276 0.743 10 0 BCAERO CCCCCCNC(=O)[C@@H]1C[NH2+]CCOC1 ZINC000700561055 711996148 /nfs/dbraw/zinc/99/61/48/711996148.db2.gz GBXNXNZFPSSBKH-LLVKDONJSA-N 1 0 228.336 0.919 10 0 BCAERO Cc1nc(CC(=O)N2CC[C@@H]([NH3+])[C@H]2C)cs1 ZINC000700777096 712006703 /nfs/dbraw/zinc/00/67/03/712006703.db2.gz VOCLQVSZKSQIHY-GMSGAONNSA-N 1 0 239.344 0.942 10 0 BCAERO CN1C[C@@H]2C[N@@H+]([C@@H]3CCC[C@H]3O)C[C@]2(C)C1 ZINC000702285045 712044820 /nfs/dbraw/zinc/04/48/20/712044820.db2.gz UBKVIVUVZOCXJP-LPWJVIDDSA-N 1 0 224.348 0.783 10 0 BCAERO CCCCOC[C@H](O)CN1C[C@H]([NH3+])C[C@@H]1C ZINC000702632606 712057128 /nfs/dbraw/zinc/05/71/28/712057128.db2.gz JNVLXMOFFSDPPK-QJPTWQEYSA-N 1 0 230.352 0.586 10 0 BCAERO C[NH2+]CCOCCNc1ncnc2c1CCC2 ZINC000705925360 712137916 /nfs/dbraw/zinc/13/79/16/712137916.db2.gz DUDHUTCQHYOQSK-UHFFFAOYSA-N 1 0 236.319 0.613 10 0 BCAERO CO[C@@H]1C[C@H]([NH2+][C@H]2CCOC[C@@H]2O)C12CCC2 ZINC000706755339 712153782 /nfs/dbraw/zinc/15/37/82/712153782.db2.gz UUAVNGPLSFVMFS-FIQHERPVSA-N 1 0 241.331 0.683 10 0 BCAERO CC1(C)CO[C@@H](C[NH2+]CC2(O)CCOCC2)C1 ZINC000708331745 712188640 /nfs/dbraw/zinc/18/86/40/712188640.db2.gz GUKLACLACWAVBQ-LLVKDONJSA-N 1 0 243.347 0.933 10 0 BCAERO C[C@@H]([NH2+]C[C@H]1CN(C)CCO1)c1cn(C)cn1 ZINC000709894870 712231376 /nfs/dbraw/zinc/23/13/76/712231376.db2.gz BDTNGPNHFBKULG-MNOVXSKESA-N 1 0 238.335 0.401 10 0 BCAERO CCCc1noc([C@@]2(C)C[NH2+]CCO2)n1 ZINC000711531044 712310136 /nfs/dbraw/zinc/31/01/36/712310136.db2.gz SDOHADNNKSBYMZ-SNVBAGLBSA-N 1 0 211.265 0.857 10 0 BCAERO CO[C@H](C)CC(=O)N1C[C@@H](F)C[C@H]1C[NH3+] ZINC000378757163 712361164 /nfs/dbraw/zinc/36/11/64/712361164.db2.gz YQOOPAWXRQYWNM-VGMNWLOBSA-N 1 0 218.272 0.309 10 0 BCAERO C[C@H](O)[C@H](C)[NH2+]Cc1cnn(C)c1Cl ZINC000378847461 712366156 /nfs/dbraw/zinc/36/61/56/712366156.db2.gz AVCJIQHXMWWEBB-BQBZGAKWSA-N 1 0 217.700 0.932 10 0 BCAERO CN(C[C@H]1CCCO1)C(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000713238728 712456179 /nfs/dbraw/zinc/45/61/79/712456179.db2.gz DEJHNBOOVHZYLV-XZUYRWCXSA-N 1 0 238.331 0.751 10 0 BCAERO OC[C@H]1C[C@H](O)C[N@@H+]1CCCOC(F)(F)F ZINC000713445617 712460244 /nfs/dbraw/zinc/46/02/44/712460244.db2.gz XOYIQKMTNOBJHU-SFYZADRCSA-N 1 0 243.225 0.340 10 0 BCAERO Cc1cc(NC(=O)[C@@H]2CO[C@@H](C[NH3+])C2)n(C)n1 ZINC000713816257 712472709 /nfs/dbraw/zinc/47/27/09/712472709.db2.gz ZCLDQVWHNCXCTR-DTWKUNHWSA-N 1 0 238.291 0.031 10 0 BCAERO [NH3+]C[C@@H]1C[C@@H](C(=O)NC(C2CC2)C2CC2)CO1 ZINC000713808893 712472735 /nfs/dbraw/zinc/47/27/35/712472735.db2.gz CVQQZSNELSHBGW-MNOVXSKESA-N 1 0 238.331 0.655 10 0 BCAERO [NH3+]C[C@H]1C[C@@H](C(=O)NC2CCCCC2)CO1 ZINC000713824845 712472862 /nfs/dbraw/zinc/47/28/62/712472862.db2.gz SLWKFSPJOLGCOE-MWLCHTKSSA-N 1 0 226.320 0.799 10 0 BCAERO CC(C)N(C)C(=O)[C@@H]1CO[C@@H](C[NH3+])C1 ZINC000713861861 712473240 /nfs/dbraw/zinc/47/32/40/712473240.db2.gz WRNOXIRRDLLVOJ-DTWKUNHWSA-N 1 0 200.282 0.217 10 0 BCAERO CCCN(CCC)C(=O)[C@@H]1CO[C@@H](C[NH3+])C1 ZINC000713870486 712473351 /nfs/dbraw/zinc/47/33/51/712473351.db2.gz HVFCFWYFDJDIBD-WDEREUQCSA-N 1 0 228.336 0.999 10 0 BCAERO COCC1CC(NC(=O)CC[NH2+]C(C)C)C1 ZINC000713942295 712474095 /nfs/dbraw/zinc/47/40/95/712474095.db2.gz GKPUGLHHAGCGHX-UHFFFAOYSA-N 1 0 228.336 0.916 10 0 BCAERO COCC1CC(NC(=O)[C@@H]([NH3+])C(C)(C)C)C1 ZINC000713944123 712474172 /nfs/dbraw/zinc/47/41/72/712474172.db2.gz TUWVNNZOSISTIM-UDNWOFFPSA-N 1 0 228.336 0.901 10 0 BCAERO COCC1CC(NC(=O)[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000713934565 712473782 /nfs/dbraw/zinc/47/37/82/712473782.db2.gz FOEZXDPULDDLFS-AGVGLQIMSA-N 1 0 226.320 0.383 10 0 BCAERO COCC1CC([NH2+]Cc2ccnn2C)C1 ZINC000713996671 712477166 /nfs/dbraw/zinc/47/71/66/712477166.db2.gz NQCRFOFFINTVHN-UHFFFAOYSA-N 1 0 209.293 0.935 10 0 BCAERO CCn1cc(CN2C[C@H](C)[C@H]([NH3+])C2)nn1 ZINC000714422633 712485961 /nfs/dbraw/zinc/48/59/61/712485961.db2.gz YCTTZNRLOVWNIN-WCBMZHEXSA-N 1 0 209.297 0.077 10 0 BCAERO CC(C)(C)C(=O)NCC(=O)NCC1CC([NH3+])C1 ZINC000715096513 712508535 /nfs/dbraw/zinc/50/85/35/712508535.db2.gz JOAXTRAMNPKUDG-UHFFFAOYSA-N 1 0 241.335 0.002 10 0 BCAERO C[C@@H]1COC[C@@H](C)N1C(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000715214762 712514078 /nfs/dbraw/zinc/51/40/78/712514078.db2.gz MTPSZGLGQBYAOW-HXFLIBJXSA-N 1 0 248.273 0.462 10 0 BCAERO CO[C@@H](C)CNC(=O)[C@]12C[NH2+]C[C@H]1CCCC2 ZINC000715371160 712521770 /nfs/dbraw/zinc/52/17/70/712521770.db2.gz PBMCJMBYJQJZRQ-DMDPSCGWSA-N 1 0 240.347 0.917 10 0 BCAERO C[C@H]([NH2+]C[C@@H]1CCO[C@@H]1C)c1cn(C)nn1 ZINC000715885822 712539524 /nfs/dbraw/zinc/53/95/24/712539524.db2.gz UIIKIKBNKVWRFC-AEJSXWLSSA-N 1 0 224.308 0.891 10 0 BCAERO CC(C)(C)[C@@H](O)CNC(=O)C12CC[NH+](CC1)C2 ZINC000715860984 712536911 /nfs/dbraw/zinc/53/69/11/712536911.db2.gz XUYJPFOYBYMESL-JTQLQIEISA-N 1 0 240.347 0.605 10 0 BCAERO CC[C@@H]1COC[C@H]1[NH2+][C@@H](C)c1cn(C)nn1 ZINC000715942368 712544563 /nfs/dbraw/zinc/54/45/63/712544563.db2.gz IQBKSMZDEVVSGG-IQJOONFLSA-N 1 0 224.308 0.891 10 0 BCAERO Cc1[nH]nc(C(=O)NCC2CC([NH3+])C2)c1C ZINC000716640671 712568629 /nfs/dbraw/zinc/56/86/29/712568629.db2.gz RTGVPYGUNQTFBS-UHFFFAOYSA-N 1 0 222.292 0.494 10 0 BCAERO C[C@H]([NH2+]C1CC(C(N)=O)C1)c1cnn(C)c1 ZINC000716753731 712572451 /nfs/dbraw/zinc/57/24/51/712572451.db2.gz CCIGFFKDOMNPNK-JEUQWKINSA-N 1 0 222.292 0.335 10 0 BCAERO CO[C@@H]1CCC[C@H]([NH2+]C2CC(C(N)=O)C2)C1 ZINC000716768823 712572947 /nfs/dbraw/zinc/57/29/47/712572947.db2.gz FGQFLPJRZUKZQP-QONHTCSSSA-N 1 0 226.320 0.798 10 0 BCAERO NC(=O)C1CC([NH2+]C[C@H]2CCC=CO2)C1 ZINC000716742443 712572011 /nfs/dbraw/zinc/57/20/11/712572011.db2.gz YJWUQVSJQWMSLB-UDNWOFFPSA-N 1 0 210.277 0.533 10 0 BCAERO COC[C@H]([NH2+]C1CC(C(N)=O)C1)C(C)C ZINC000716744786 712572064 /nfs/dbraw/zinc/57/20/64/712572064.db2.gz HVQGAYMIPKNPEZ-RTBKNWGFSA-N 1 0 214.309 0.511 10 0 BCAERO CN1CC[NH+](C[C@@H]2CCC[C@@H](O)C2)CC1 ZINC000379865099 712617912 /nfs/dbraw/zinc/61/79/12/712617912.db2.gz NTGSNDRGCHDVIK-VXGBXAGGSA-N 1 0 212.337 0.785 10 0 BCAERO [NH3+]C1CC(CNS(=O)(=O)c2ccns2)C1 ZINC000717683937 712664811 /nfs/dbraw/zinc/66/48/11/712664811.db2.gz RLBOXJKZEFOAEC-UHFFFAOYSA-N 1 0 247.345 0.159 10 0 BCAERO C[C@H]1CN(C(=O)CC2CC([NH3+])C2)C[C@H](C)O1 ZINC000718050478 712739447 /nfs/dbraw/zinc/73/94/47/712739447.db2.gz PXTAZNRZFDONQT-SAAXCQNUSA-N 1 0 226.320 0.750 10 0 BCAERO C[C@@H]1CO[C@@H](C(=O)N2CCC[C@@H]2C[NH3+])C1 ZINC000718445533 712762819 /nfs/dbraw/zinc/76/28/19/712762819.db2.gz HRRVQILWXLPCKL-IVZWLZJFSA-N 1 0 212.293 0.361 10 0 BCAERO CC(C)(CO)[NH2+]C[C@@H](O)COCc1ccco1 ZINC000037853705 712775864 /nfs/dbraw/zinc/77/58/64/712775864.db2.gz WJVPRAZAKKOPEA-SNVBAGLBSA-N 1 0 243.303 0.518 10 0 BCAERO C[C@@H](O)[C@H](C)[NH2+]Cc1cnc2n1CCC2 ZINC000719123525 712797937 /nfs/dbraw/zinc/79/79/37/712797937.db2.gz QCHLWGDBIJZLMI-DTWKUNHWSA-N 1 0 209.293 0.688 10 0 BCAERO CCCCOC[C@H](O)C[NH2+][C@@H]1CCN(C)[C@H]1C ZINC000719608627 712816347 /nfs/dbraw/zinc/81/63/47/712816347.db2.gz GGXLZAYAXSCUOP-YNEHKIRRSA-N 1 0 244.379 0.846 10 0 BCAERO CCCCC[C@@H](O)CC(=O)NCCC[NH3+] ZINC000381198403 710608245 /nfs/dbraw/zinc/60/82/45/710608245.db2.gz DYXXFTCFZUIBEY-SNVBAGLBSA-N 1 0 216.325 0.783 10 0 BCAERO CC(C)(C[NH3+])CC(=O)N[C@@H]1CCC[C@H](O)C1 ZINC000721213963 712899130 /nfs/dbraw/zinc/89/91/30/712899130.db2.gz IYVSLQSZVDDKMW-ZJUUUORDSA-N 1 0 228.336 0.781 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1Nc1nnnn1-c1ccccc1 ZINC000721876319 710689503 /nfs/dbraw/zinc/68/95/03/710689503.db2.gz WKYYKCCLSSOPNK-MWLCHTKSSA-N 1 0 244.302 0.104 10 0 BCAERO CCO[C@@H]1CCC[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC000721230373 712899656 /nfs/dbraw/zinc/89/96/56/712899656.db2.gz MNGMQNSIAUEANE-HBNTYKKESA-N 1 0 226.320 0.812 10 0 BCAERO CCN1CCC[C@H]([NH2+]C[C@@H](O)C(C)(C)C)C1=O ZINC000722352732 710707178 /nfs/dbraw/zinc/70/71/78/710707178.db2.gz KRQGSGGBRKPANQ-WDEREUQCSA-N 1 0 242.363 0.994 10 0 BCAERO Cc1nnc(NC[C@@H]2C[NH2+]C[C@H]2C)nc1C ZINC000723820776 710733032 /nfs/dbraw/zinc/73/30/32/710733032.db2.gz IUAONEMDBWTQPN-XCBNKYQSSA-N 1 0 221.308 0.756 10 0 BCAERO CC[C@](C)(O)C[NH2+][C@@H]1COCC[C@H]1OC ZINC000724890361 710747277 /nfs/dbraw/zinc/74/72/77/710747277.db2.gz XKXAOJWULYZMHC-MXWKQRLJSA-N 1 0 217.309 0.541 10 0 BCAERO COC1CC([NH2+][C@H](C)C[C@H]2CCC(=O)N2)C1 ZINC000380768309 712903122 /nfs/dbraw/zinc/90/31/22/712903122.db2.gz YDMWBWQNAHOVLY-NKVNRFPTSA-N 1 0 226.320 0.811 10 0 BCAERO COC1CC([NH2+][C@H](C)C[C@@H]2CCC(=O)N2)C1 ZINC000380768308 712903132 /nfs/dbraw/zinc/90/31/32/712903132.db2.gz YDMWBWQNAHOVLY-MFQSTILNSA-N 1 0 226.320 0.811 10 0 BCAERO CC(=O)[C@@H]1CCC[N@H+](CCn2cncn2)C1 ZINC000380847229 710591983 /nfs/dbraw/zinc/59/19/83/710591983.db2.gz WSXBCVNAJQOREW-LLVKDONJSA-N 1 0 222.292 0.579 10 0 BCAERO COC(=O)[C@@H]1C[N@H+](C[C@H](O)C(C)C)C[C@@H]1C ZINC000380862856 710591571 /nfs/dbraw/zinc/59/15/71/710591571.db2.gz PONYBAGPXOTLPM-AXFHLTTASA-N 1 0 229.320 0.744 10 0 BCAERO CC(C)OC[C@H](O)C[NH2+][C@@H]1CCC[C@H](O)C1 ZINC000381033210 710597067 /nfs/dbraw/zinc/59/70/67/710597067.db2.gz ATCPHSNLSIMEAE-GRYCIOLGSA-N 1 0 231.336 0.665 10 0 BCAERO CONC(=O)C[C@H]([NH3+])Cc1ccccc1 ZINC000381304221 710618664 /nfs/dbraw/zinc/61/86/64/710618664.db2.gz JHZWZLQWKYFLSB-SNVBAGLBSA-N 1 0 208.261 0.624 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1CC(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000722520269 710715096 /nfs/dbraw/zinc/71/50/96/710715096.db2.gz HKOAVMNDPFEQNN-WISYIIOYSA-N 1 0 240.347 0.868 10 0 BCAERO C[C@@H]([NH3+])CC(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000037815468 711468191 /nfs/dbraw/zinc/46/81/91/711468191.db2.gz OAQIDLXIPLIIEF-VWYCJHECSA-N 1 0 226.320 0.894 10 0 BCAERO C[C@@H](NC(=O)[C@@H]1C[C@@H]1C[NH3+])[C@H]1CCCO1 ZINC000715229617 711477864 /nfs/dbraw/zinc/47/78/64/711477864.db2.gz XXCIEIYEPSAKOF-ZYUZMQFOSA-N 1 0 212.293 0.265 10 0 BCAERO Cc1cc(=O)[nH]c(C[N@@H+]2CCC[C@@]2(C)CO)n1 ZINC000723039234 711496806 /nfs/dbraw/zinc/49/68/06/711496806.db2.gz LZJFUECGDKSEAK-LBPRGKRZSA-N 1 0 237.303 0.837 10 0 BCAERO C=C/C=C/CCN1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000713760546 711497429 /nfs/dbraw/zinc/49/74/29/711497429.db2.gz WALSEQUQJTYJTO-HEKLCECKSA-N 1 0 208.305 0.791 10 0 BCAERO CN1C[C@H](CC[NH2+]CC(C)(C)O)CC1=O ZINC000723387826 711509872 /nfs/dbraw/zinc/50/98/72/711509872.db2.gz LFGVRFMRUGXJFZ-SECBINFHSA-N 1 0 214.309 0.215 10 0 BCAERO C[C@H]1COCCN1C[C@H]([NH3+])CC(F)F ZINC000308448975 711529085 /nfs/dbraw/zinc/52/90/85/711529085.db2.gz AMMVARDWBYVNFE-JGVFFNPUSA-N 1 0 208.252 0.690 10 0 BCAERO C[C@@H]1CN(c2nccn(C)c2=O)C[C@H]1CC[NH3+] ZINC000723893493 711544385 /nfs/dbraw/zinc/54/43/85/711544385.db2.gz AAFOPEDQEMCKCB-NXEZZACHSA-N 1 0 236.319 0.201 10 0 BCAERO Cc1cn(C)nc1CN1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000723962466 711548015 /nfs/dbraw/zinc/54/80/15/711548015.db2.gz HVVSRFYOVMPUOZ-TUAOUCFPSA-N 1 0 234.347 0.898 10 0 BCAERO Cc1cn(C)nc1Cn1cc(C(C)(C)[NH3+])nn1 ZINC000724004271 711553855 /nfs/dbraw/zinc/55/38/55/711553855.db2.gz UBIRZNNTBVDLHE-UHFFFAOYSA-N 1 0 234.307 0.562 10 0 BCAERO C[C@@H]1C[N@H+](C[C@@H]2C[C@H]3COC[C@H]3O2)C[C@H]1CO ZINC000724621749 711600714 /nfs/dbraw/zinc/60/07/14/711600714.db2.gz XJHQKHULGFOXDA-QNWJLWSRSA-N 1 0 241.331 0.351 10 0 BCAERO Cc1nc(C)c(C[NH2+][C@H]2CCC(=O)N[C@H]2C)[nH]1 ZINC000724779364 711612452 /nfs/dbraw/zinc/61/24/52/711612452.db2.gz FLWHCTFTWQPPHP-XVKPBYJWSA-N 1 0 236.319 0.783 10 0 BCAERO C[C@@H]1[C@@H]([NH3+])CCN1S(=O)(=O)c1ccns1 ZINC000717735989 711616586 /nfs/dbraw/zinc/61/65/86/711616586.db2.gz MOKPDGLJHICAAZ-RQJHMYQMSA-N 1 0 247.345 0.253 10 0 BCAERO CC(C)OCCC(=O)N1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000717781408 711620536 /nfs/dbraw/zinc/62/05/36/711620536.db2.gz MYEWGAFAQAAPHR-QWRGUYRKSA-N 1 0 228.336 0.855 10 0 BCAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]CCO[C@H]1CCOC1 ZINC000724987114 711640351 /nfs/dbraw/zinc/64/03/51/711640351.db2.gz PWZLKITYVJSTER-DCAQKATOSA-N 1 0 242.319 0.049 10 0 BCAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]CCO[C@H]1CCOC1 ZINC000724987115 711640761 /nfs/dbraw/zinc/64/07/61/711640761.db2.gz PWZLKITYVJSTER-GARJFASQSA-N 1 0 242.319 0.049 10 0 BCAERO CN(c1cnccn1)C1(C[NH3+])CCOCC1 ZINC000725019297 711643072 /nfs/dbraw/zinc/64/30/72/711643072.db2.gz ZCJJOSHFAGZMOY-UHFFFAOYSA-N 1 0 222.292 0.421 10 0 BCAERO C[C@H](N[C@@H]1C[N@H+](C)C[C@H]1C)c1cn(C)nn1 ZINC000722255115 711731689 /nfs/dbraw/zinc/73/16/89/711731689.db2.gz XPHCYJNQNXGJDD-KXUCPTDWSA-N 1 0 223.324 0.416 10 0 BCAERO COC[C@H](Cn1cc(C[NH3+])nn1)C(C)C ZINC000721797459 711770142 /nfs/dbraw/zinc/77/01/42/711770142.db2.gz QDTJRLDSIAHPLX-VIFPVBQESA-N 1 0 212.297 0.655 10 0 BCAERO COC(=O)c1cncc(N[C@@H]2C[NH2+]C[C@H]2C)n1 ZINC000721863452 711791985 /nfs/dbraw/zinc/79/19/85/711791985.db2.gz RSAAHDRJYZLFOL-HTQZYQBOSA-N 1 0 236.275 0.283 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1Nc1ncnc2[nH]ccc21 ZINC000721903425 711813331 /nfs/dbraw/zinc/81/33/31/711813331.db2.gz IYSXRUPJLURLNJ-VXNVDRBHSA-N 1 0 217.276 0.978 10 0 BCAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)c1ncccc1O ZINC000229589758 711838584 /nfs/dbraw/zinc/83/85/84/711838584.db2.gz WVWSSULZDXAROO-DTWKUNHWSA-N 1 0 235.287 0.658 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@@H]1NS(=O)(=O)CCCF ZINC000238017816 711886787 /nfs/dbraw/zinc/88/67/87/711886787.db2.gz KEJQYINPDXFWQW-IUCAKERBSA-N 1 0 238.328 0.393 10 0 BCAERO CO[C@H]1C[C@@H](C[N@@H+]2CC[C@@H]3OCCN[C@H]3C2)C1 ZINC000721957891 711948092 /nfs/dbraw/zinc/94/80/92/711948092.db2.gz BNGKEODEUPCNIG-RNJOBUHISA-N 1 0 240.347 0.474 10 0 BCAERO COCCN(CCF)C(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000700407658 711992548 /nfs/dbraw/zinc/99/25/48/711992548.db2.gz IENGKYOAVZAUBX-MNOVXSKESA-N 1 0 246.326 0.948 10 0 BCAERO C[C@@H]1CN(C(=O)[C@@H]2C[NH2+]CCOC2)C(C)(C)C1 ZINC000700474451 711994559 /nfs/dbraw/zinc/99/45/59/711994559.db2.gz HRGXRHVGUBAJGY-WDEREUQCSA-N 1 0 240.347 0.869 10 0 BCAERO CSC(C)(C)CNC(=O)[C@H]1C[NH2+]CCOC1 ZINC000700497657 711995494 /nfs/dbraw/zinc/99/54/94/711995494.db2.gz VMWNQHMXMLEWQF-VIFPVBQESA-N 1 0 246.376 0.480 10 0 BCAERO CC[C@@H](C)[C@H](C)[NH2+][C@@H]1CS(=O)(=O)C[C@H]1O ZINC000700570325 711998818 /nfs/dbraw/zinc/99/88/18/711998818.db2.gz WUBXSVZWNHXGEP-UTINFBMNSA-N 1 0 235.349 0.169 10 0 BCAERO C[NH2+]C[C@H](C)NC(=O)[C@@H]1Cc2ccccc2CO1 ZINC000700644620 712001355 /nfs/dbraw/zinc/00/13/55/712001355.db2.gz ZVSXJWGHXDHCPA-GWCFXTLKSA-N 1 0 248.326 0.852 10 0 BCAERO CCN(CC[NH3+])C(=O)[C@H]1Cc2ccccc2CO1 ZINC000700652882 712001666 /nfs/dbraw/zinc/00/16/66/712001666.db2.gz JPYSCRHEVHCYHC-CYBMUJFWSA-N 1 0 248.326 0.935 10 0 BCAERO C[C@H]([NH3+])CNC(=O)[C@@H]1Cc2ccccc2CO1 ZINC000700659210 712001977 /nfs/dbraw/zinc/00/19/77/712001977.db2.gz BUISRHQFAGMUIW-CABZTGNLSA-N 1 0 234.299 0.591 10 0 BCAERO O=C(NC[C@@H]1CC[NH2+]C1)c1cccnc1F ZINC000701050361 712012893 /nfs/dbraw/zinc/01/28/93/712012893.db2.gz GPOLXOOSVFZCEY-MRVPVSSYSA-N 1 0 223.251 0.560 10 0 BCAERO Cc1cc(CN(C)CC[N@H+](C)CCO)n(C)n1 ZINC000701053814 712012938 /nfs/dbraw/zinc/01/29/38/712012938.db2.gz CBUULIVYXQPIPN-UHFFFAOYSA-N 1 0 240.351 0.084 10 0 BCAERO C[C@H]1[C@H]([NH3+])CCN1C(=O)c1cccnc1F ZINC000701052063 712013687 /nfs/dbraw/zinc/01/36/87/712013687.db2.gz ACGXDKBICIBUID-IONNQARKSA-N 1 0 223.251 0.782 10 0 BCAERO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NC(=O)C1CC([NH3+])C1 ZINC000701105669 712015540 /nfs/dbraw/zinc/01/55/40/712015540.db2.gz QKMNHLDVPSWNIH-WRPWMTRMSA-N 1 0 226.320 0.652 10 0 BCAERO Cn1cc(/C=C/C(=O)NC[C@@H]2CC[NH2+]C2)cn1 ZINC000701380243 712021334 /nfs/dbraw/zinc/02/13/34/712021334.db2.gz UVPRUZJTTPURDD-VMZHVLLKSA-N 1 0 234.303 0.159 10 0 BCAERO Cn1cc(/C=C\C(=O)NC[C@@H]2CC[NH2+]C2)cn1 ZINC000701380241 712021360 /nfs/dbraw/zinc/02/13/60/712021360.db2.gz UVPRUZJTTPURDD-MXQLGCADSA-N 1 0 234.303 0.159 10 0 BCAERO Cn1cc(/C=C\C(=O)NC[C@H]2CC[NH2+]C2)cn1 ZINC000701380244 712021387 /nfs/dbraw/zinc/02/13/87/712021387.db2.gz UVPRUZJTTPURDD-ZMWSMAPVSA-N 1 0 234.303 0.159 10 0 BCAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)/C=C\c1cnn(C)c1 ZINC000701387387 712021866 /nfs/dbraw/zinc/02/18/66/712021866.db2.gz LTLADAAPESFFFX-UHGNHILRSA-N 1 0 248.330 0.690 10 0 BCAERO CN(C)c1noc([C@]23CCC[C@H]2C[NH2+]C3)n1 ZINC000701671639 712027248 /nfs/dbraw/zinc/02/72/48/712027248.db2.gz XLMCGVOZJMEAOV-KWQFWETISA-N 1 0 222.292 0.777 10 0 BCAERO Nc1cc[nH+]cc1-c1cnc2n1CCOC2 ZINC000702192544 712040893 /nfs/dbraw/zinc/04/08/93/712040893.db2.gz DWGLVHXRSAGRON-UHFFFAOYSA-N 1 0 216.244 0.888 10 0 BCAERO CO[C@H](c1noc([C@@H](N)C[NH+](C)C)n1)C1CC1 ZINC000702215213 712042306 /nfs/dbraw/zinc/04/23/06/712042306.db2.gz RMJZENHVRBNIOZ-IUCAKERBSA-N 1 0 240.307 0.729 10 0 BCAERO CC(C)[C@H](C)NC(=O)[C@@H](N)C[NH+](C)C ZINC000702370073 712048696 /nfs/dbraw/zinc/04/86/96/712048696.db2.gz LHWDERMHFOAYCT-IUCAKERBSA-N 1 0 201.314 0.036 10 0 BCAERO CCCCCCC(=O)NC[C@H]1C[NH2+]C[C@H]1O ZINC000702813643 712061275 /nfs/dbraw/zinc/06/12/75/712061275.db2.gz IEWGCEVARTUUEE-GHMZBOCLSA-N 1 0 228.336 0.653 10 0 BCAERO C[C@H]([NH3+])CN(C)c1ncnc2[nH]ccc21 ZINC000705207177 712124309 /nfs/dbraw/zinc/12/43/09/712124309.db2.gz HFQHXRHLQYDBGT-ZETCQYMHSA-N 1 0 205.265 0.741 10 0 BCAERO CCN1C[C@H](C[N@@H+]2CC[C@@H](O)C[C@H]2C)OC1=O ZINC000705251421 712125980 /nfs/dbraw/zinc/12/59/80/712125980.db2.gz GCTMMWHPWCQTEN-GMTAPVOTSA-N 1 0 242.319 0.672 10 0 BCAERO OC[C@H]1C[N@H+](C[C@H]2Cc3ccccc32)C[C@H]1CO ZINC000705370915 712130548 /nfs/dbraw/zinc/13/05/48/712130548.db2.gz RKOJVPBGCFKXJJ-MCIONIFRSA-N 1 0 247.338 0.859 10 0 BCAERO C[C@H]1[NH2+]CCC[C@@H]1C(=O)NCc1ncccn1 ZINC000705420079 712131357 /nfs/dbraw/zinc/13/13/57/712131357.db2.gz PAIQWAQDWKXRKU-ZJUUUORDSA-N 1 0 234.303 0.481 10 0 BCAERO Cn1nc(C[NH2+]C(C)(C)CO)cc1Cl ZINC000706136231 712140148 /nfs/dbraw/zinc/14/01/48/712140148.db2.gz BEQGDKSSZXXLIK-UHFFFAOYSA-N 1 0 217.700 0.934 10 0 BCAERO O[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000706755802 712153988 /nfs/dbraw/zinc/15/39/88/712153988.db2.gz IWOPOGSSFBQHMI-CSYMLDBXSA-N 1 0 211.305 0.914 10 0 BCAERO Cc1nc(C)c(C[NH2+][C@H]2CCOC[C@@H]2O)s1 ZINC000706766056 712154704 /nfs/dbraw/zinc/15/47/04/712154704.db2.gz DMJPMLSTMZJNKN-UWVGGRQHSA-N 1 0 242.344 0.999 10 0 BCAERO Cn1c(Cl)cnc1C[NH2+][C@H]1CCOC[C@@H]1O ZINC000706766737 712154963 /nfs/dbraw/zinc/15/49/63/712154963.db2.gz UVMLXFXUSRXQFD-YUMQZZPRSA-N 1 0 245.710 0.313 10 0 BCAERO C[C@H]([NH2+][C@H]1CCOC[C@H]1O)C1(Cl)CC1 ZINC000706789751 712155385 /nfs/dbraw/zinc/15/53/85/712155385.db2.gz OLOVDABOOYOLIO-XHNCKOQMSA-N 1 0 219.712 0.886 10 0 BCAERO CO[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCOC[C@@H]1O ZINC000706957519 712163482 /nfs/dbraw/zinc/16/34/82/712163482.db2.gz LIBXMZXUKNMYEK-VPOLOUISSA-N 1 0 215.293 0.293 10 0 BCAERO CC[NH2+]CC(=O)N1CCC[C@@H](C(=O)OC)C1 ZINC000707383822 712169803 /nfs/dbraw/zinc/16/98/03/712169803.db2.gz RIFPELIMWNKWOO-SECBINFHSA-N 1 0 228.292 0.008 10 0 BCAERO COC(=O)[C@H]1CCCN(C(=O)C2CC([NH3+])C2)C1 ZINC000707376125 712170231 /nfs/dbraw/zinc/17/02/31/712170231.db2.gz KHCLRAJRDNHKHI-IDKOKCKLSA-N 1 0 240.303 0.135 10 0 BCAERO COCC1CC(NC(=O)[C@@]2(C)CCC[NH2+]2)C1 ZINC000707964793 712173988 /nfs/dbraw/zinc/17/39/88/712173988.db2.gz ONVVFRCQTOEHJK-RTYFJBAXSA-N 1 0 226.320 0.670 10 0 BCAERO C[C@@H]1C[N@H+](CCCN2CCOC2=O)C[C@H]1CO ZINC000708688002 712196819 /nfs/dbraw/zinc/19/68/19/712196819.db2.gz XWWMXKDJKOSPMN-MNOVXSKESA-N 1 0 242.319 0.389 10 0 BCAERO C[C@H]1CN(c2ncnc3c2CCC3)C[C@H]1C[NH3+] ZINC000708840021 712200587 /nfs/dbraw/zinc/20/05/87/712200587.db2.gz SJNNWOALXLJAOI-VHSXEESVSA-N 1 0 232.331 0.996 10 0 BCAERO C[C@@H]1CN(C(=O)[C@H](O)c2ccccc2)C[C@H]1C[NH3+] ZINC000708865161 712201436 /nfs/dbraw/zinc/20/14/36/712201436.db2.gz GRNJVFARBLNJAG-RAIGVLPGSA-N 1 0 248.326 0.773 10 0 BCAERO CC[C@H](O)CN1C[C@H](OC)C[C@@]1(C)C[NH3+] ZINC000708919372 712203441 /nfs/dbraw/zinc/20/34/41/712203441.db2.gz TWNSELITXRNOEA-AXFHLTTASA-N 1 0 216.325 0.195 10 0 BCAERO CC[C@H](O)CN1C[C@@H](OC)C[C@@]1(C)C[NH3+] ZINC000708919373 712203545 /nfs/dbraw/zinc/20/35/45/712203545.db2.gz TWNSELITXRNOEA-DCAQKATOSA-N 1 0 216.325 0.195 10 0 BCAERO C[C@@H]([NH2+]CC1CC(O)C1)c1cn(C)cn1 ZINC000709992933 712237834 /nfs/dbraw/zinc/23/78/34/712237834.db2.gz QJVQOOJQKWYHMX-XNWIYYODSA-N 1 0 209.293 0.842 10 0 BCAERO CC1(C)C[NH2+][C@@H]1C(=O)NC[C@@H](O)C(F)(F)F ZINC000710085462 712244780 /nfs/dbraw/zinc/24/47/80/712244780.db2.gz OUCAOFSOXWFGPB-PHDIDXHHSA-N 1 0 240.225 0.024 10 0 BCAERO COC1(OC)CC[C@H]1[NH2+]C[C@@H]1CN(C)CCO1 ZINC000710989773 712272501 /nfs/dbraw/zinc/27/25/01/712272501.db2.gz QZDMJUAWMLLFLL-GHMZBOCLSA-N 1 0 244.335 0.058 10 0 BCAERO C[C@@H]1OCC[C@@H]1NC(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000711216610 712289721 /nfs/dbraw/zinc/28/97/21/712289721.db2.gz VVNRFURKARSCGO-GUBZILKMSA-N 1 0 226.320 0.526 10 0 BCAERO C[C@H](NC(=O)[C@H]1C[NH2+]CC1(C)C)[C@@H]1CCCO1 ZINC000711346793 712295183 /nfs/dbraw/zinc/29/51/83/712295183.db2.gz LYDYWAHSCQDWQO-AXFHLTTASA-N 1 0 240.347 0.916 10 0 BCAERO C(CN1CC[C@@H]2OCC[NH2+][C@H]2C1)OC1CC1 ZINC000711775708 712328914 /nfs/dbraw/zinc/32/89/14/712328914.db2.gz AXYGFHSXVCITPZ-RYUDHWBXSA-N 1 0 226.320 0.228 10 0 BCAERO CN(C)c1ccnc(N[C@@H]2C[C@H]2CO)n1 ZINC000378660150 712356349 /nfs/dbraw/zinc/35/63/49/712356349.db2.gz AHNGAXQZEPAKRW-JGVFFNPUSA-N 1 0 208.265 0.335 10 0 BCAERO C[C@H]1OCC[C@H]1[NH2+]C[C@@H]1CC2(CC2)C(=O)O1 ZINC000378675373 712356941 /nfs/dbraw/zinc/35/69/41/712356941.db2.gz OHYDNLQJXQZCQC-KXUCPTDWSA-N 1 0 225.288 0.849 10 0 BCAERO CCCOCC(=O)N1C[C@@H](F)C[C@H]1C[NH3+] ZINC000378757747 712361189 /nfs/dbraw/zinc/36/11/89/712361189.db2.gz YZYTUCWADGXUNN-IUCAKERBSA-N 1 0 218.272 0.311 10 0 BCAERO COCC(C)(C)C[NH2+]C1CC(C(N)=O)C1 ZINC000716741674 712384976 /nfs/dbraw/zinc/38/49/76/712384976.db2.gz UOMQHHUYBCGXOR-UHFFFAOYSA-N 1 0 214.309 0.513 10 0 BCAERO C[C@@H](O)CCNC(=O)[C@H]([NH3+])CC1CC1 ZINC000379486975 712385723 /nfs/dbraw/zinc/38/57/23/712385723.db2.gz JXBWNCFPFAHENO-VXNVDRBHSA-N 1 0 200.282 0.001 10 0 BCAERO Cn1ncc(C[NH2+][C@H]2CCOC[C@H]2O)c1Cl ZINC000712470922 712430686 /nfs/dbraw/zinc/43/06/86/712430686.db2.gz ZAQYGIWZVLZRTK-DTWKUNHWSA-N 1 0 245.710 0.313 10 0 BCAERO [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)NC[C@@H]2CCC[C@@H]2O)C1 ZINC000713227014 712455635 /nfs/dbraw/zinc/45/56/35/712455635.db2.gz STDMMBPNEMDESC-XPORZQOISA-N 1 0 238.331 0.391 10 0 BCAERO C[C@H](NC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2)[C@@H]1CCCO1 ZINC000713238117 712455725 /nfs/dbraw/zinc/45/57/25/712455725.db2.gz AYBOROJTZVQZBJ-FBUUZDRASA-N 1 0 238.331 0.798 10 0 BCAERO CC1(C)CC[C@@H](Cn2cc(C[NH3+])nn2)OC1 ZINC000713612392 712467229 /nfs/dbraw/zinc/46/72/29/712467229.db2.gz LAKDWNXYFOMICW-JTQLQIEISA-N 1 0 224.308 0.942 10 0 BCAERO C=C/C=C\CC[N@H+]1CCC[C@@](O)(C(N)=O)C1 ZINC000713638697 712467870 /nfs/dbraw/zinc/46/78/70/712467870.db2.gz AUXLEYHJFBFWKH-MVZIDQBPSA-N 1 0 224.304 0.431 10 0 BCAERO [NH3+]C[C@H]1C[C@H](C(=O)Nc2ccccc2)CO1 ZINC000713890788 712472268 /nfs/dbraw/zinc/47/22/68/712472268.db2.gz ZFVDBUSGNCNZEP-GXSJLCMTSA-N 1 0 220.272 0.989 10 0 BCAERO Cc1cccc(CNC(=O)[C@H]2CO[C@@H](C[NH3+])C2)c1 ZINC000713765779 712472110 /nfs/dbraw/zinc/47/21/10/712472110.db2.gz COIMWQJTEYSMIL-CHWSQXEVSA-N 1 0 248.326 0.975 10 0 BCAERO CCC(CC)NC(=O)[C@H]1CO[C@@H](C[NH3+])C1 ZINC000713884734 712472267 /nfs/dbraw/zinc/47/22/67/712472267.db2.gz XBOPEHNMFZYZNG-PSASIEDQSA-N 1 0 214.309 0.655 10 0 BCAERO [NH3+]C[C@@H]1C[C@H](C(=O)NCC[C@H]2CCCO2)CO1 ZINC000713787344 712472347 /nfs/dbraw/zinc/47/23/47/712472347.db2.gz ZNWUVTSLPPQVJW-AXFHLTTASA-N 1 0 242.319 0.036 10 0 BCAERO C[C@H](NC(=O)[C@@H]1CO[C@H](C[NH3+])C1)[C@H]1CCCO1 ZINC000713797952 712472584 /nfs/dbraw/zinc/47/25/84/712472584.db2.gz WPNLXWCOTPVXLB-XWLWVQCSSA-N 1 0 242.319 0.034 10 0 BCAERO CCCN(CC1CC1)C(=O)[C@@H]1CO[C@H](C[NH3+])C1 ZINC000713824221 712472992 /nfs/dbraw/zinc/47/29/92/712472992.db2.gz XRAXPLQUZJPQDV-RYUDHWBXSA-N 1 0 240.347 0.999 10 0 BCAERO CCCN(CC)C(=O)[C@H]1CO[C@H](C[NH3+])C1 ZINC000713871165 712473200 /nfs/dbraw/zinc/47/32/00/712473200.db2.gz KFGNVQQPJKRNHA-ZJUUUORDSA-N 1 0 214.309 0.609 10 0 BCAERO CC(C)CCNC(=O)[C@H]1CO[C@@H](C[NH3+])C1 ZINC000713872256 712473202 /nfs/dbraw/zinc/47/32/02/712473202.db2.gz OLQSZPHWVKRPOZ-NXEZZACHSA-N 1 0 214.309 0.513 10 0 BCAERO CCCN(CCC)C(=O)[C@H]1CO[C@H](C[NH3+])C1 ZINC000713870481 712473282 /nfs/dbraw/zinc/47/32/82/712473282.db2.gz HVFCFWYFDJDIBD-MNOVXSKESA-N 1 0 228.336 0.999 10 0 BCAERO CC(C)(C)NC(=O)[C@H]1CO[C@H](C[NH3+])C1 ZINC000713835837 712473399 /nfs/dbraw/zinc/47/33/99/712473399.db2.gz GSUZZAJPLKXZGQ-SFYZADRCSA-N 1 0 200.282 0.265 10 0 BCAERO CCN(CC)C(=O)[C@@H]1CO[C@@H](C[NH3+])C1 ZINC000713838675 712473451 /nfs/dbraw/zinc/47/34/51/712473451.db2.gz SHDIOYYUINFQQM-DTWKUNHWSA-N 1 0 200.282 0.219 10 0 BCAERO CC(C)CCNC(=O)[C@@H]1CO[C@@H](C[NH3+])C1 ZINC000713872259 712473470 /nfs/dbraw/zinc/47/34/70/712473470.db2.gz OLQSZPHWVKRPOZ-VHSXEESVSA-N 1 0 214.309 0.513 10 0 BCAERO COCC1CC(NC(=O)CC[NH2+]C2CC2)C1 ZINC000713936525 712474106 /nfs/dbraw/zinc/47/41/06/712474106.db2.gz YKBAOTBPEAWLLG-UHFFFAOYSA-N 1 0 226.320 0.670 10 0 BCAERO C[NH2+]C[C@@H](C)C(=O)NC1CC(COC)C1 ZINC000713936037 712474206 /nfs/dbraw/zinc/47/42/06/712474206.db2.gz SYXQFZVDZMIOOI-XNWIYYODSA-N 1 0 214.309 0.383 10 0 BCAERO COCC1CC(NC(=O)[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000713986082 712476353 /nfs/dbraw/zinc/47/63/53/712476353.db2.gz RPIZSTXLQDARRX-XWJSGITJSA-N 1 0 212.293 0.265 10 0 BCAERO COCC1CC(NC(=O)[C@H](C)C[NH3+])C1 ZINC000713994804 712476521 /nfs/dbraw/zinc/47/65/21/712476521.db2.gz ALGADLBZGFZPPD-AFPNSQJFSA-N 1 0 200.282 0.122 10 0 BCAERO [NH3+]C[C@@H]1C[C@H](c2nc(-c3ccncc3)no2)CO1 ZINC000714063380 712477710 /nfs/dbraw/zinc/47/77/10/712477710.db2.gz JZBXXWJCNMBXFY-UWVGGRQHSA-N 1 0 246.270 0.963 10 0 BCAERO CC1(c2noc([C@H]3CO[C@@H](C[NH3+])C3)n2)CC1 ZINC000714073932 712477711 /nfs/dbraw/zinc/47/77/11/712477711.db2.gz BBBGNKHUQXMKRI-HTQZYQBOSA-N 1 0 223.276 0.952 10 0 BCAERO [NH3+][C@H]1C[C@H](CNc2ncnc3nc[nH]c32)C1 ZINC000715066861 712505683 /nfs/dbraw/zinc/50/56/83/712505683.db2.gz KYBCTIHRUKXIEL-LJGSYFOKSA-N 1 0 218.264 0.454 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N[C@@H](C)[C@@H]1CCCO1 ZINC000036873282 712506468 /nfs/dbraw/zinc/50/64/68/712506468.db2.gz QRSMSGLITCVPHR-GUBZILKMSA-N 1 0 214.309 0.798 10 0 BCAERO C[C@@H]([NH3+])CC(=O)NC[C@H]1CCC[C@H]1O ZINC000715135004 712514567 /nfs/dbraw/zinc/51/45/67/712514567.db2.gz BICJFONFJVFCTF-IWSPIJDZSA-N 1 0 200.282 0.001 10 0 BCAERO COCCNC(=O)[C@]12C[NH2+]C[C@H]1CCCC2 ZINC000715461919 712519585 /nfs/dbraw/zinc/51/95/85/712519585.db2.gz FESZHUZSADATMJ-ZYHUDNBSSA-N 1 0 226.320 0.529 10 0 BCAERO CC(C)CCNC(=O)[C@]12C[NH2+]C[C@H]1COCC2 ZINC000715463556 712519900 /nfs/dbraw/zinc/51/99/00/712519900.db2.gz NDWGFFZBCWYHBO-WCQYABFASA-N 1 0 240.347 0.775 10 0 BCAERO O=C(N[C@H]1CCCC[C@H]1O)C12CC[NH+](CC1)C2 ZINC000715818002 712533425 /nfs/dbraw/zinc/53/34/25/712533425.db2.gz LUEFFWDUSKPEJP-WDEREUQCSA-N 1 0 238.331 0.502 10 0 BCAERO C[C@@H]([NH2+]C[C@@H](O)C1CC1)c1cn(C)nn1 ZINC000715837699 712535579 /nfs/dbraw/zinc/53/55/79/712535579.db2.gz OCFHYAXSQLCMCX-GMSGAONNSA-N 1 0 210.281 0.237 10 0 BCAERO C[C@H]([NH2+][C@H]1CCO[C@H]1C)c1cn(C)nn1 ZINC000715854331 712536657 /nfs/dbraw/zinc/53/66/57/712536657.db2.gz LNIBHTOQTWUBQS-CIUDSAMLSA-N 1 0 210.281 0.643 10 0 BCAERO CC[N@@H+]1CC[C@H](N[C@@H](C)c2cn(C)nn2)C1 ZINC000715886471 712539754 /nfs/dbraw/zinc/53/97/54/712539754.db2.gz WAIGOFTTXRMPQZ-UWVGGRQHSA-N 1 0 223.324 0.560 10 0 BCAERO CCOC(=O)CCC[NH2+][C@@H](C)c1cn(C)nn1 ZINC000715970305 712546900 /nfs/dbraw/zinc/54/69/00/712546900.db2.gz MFJYUNRIGFJTRD-VIFPVBQESA-N 1 0 240.307 0.809 10 0 BCAERO CCN1CC[C@H]([NH2+]C2CC(S(C)(=O)=O)C2)C1 ZINC000716140878 712549640 /nfs/dbraw/zinc/54/96/40/712549640.db2.gz XUYIFVPUSRCARQ-WHXUTIOJSA-N 1 0 246.376 0.246 10 0 BCAERO C[C@H](NC1CC(C(N)=O)C1)[C@H]1CCCC[NH2+]1 ZINC000716686448 712569945 /nfs/dbraw/zinc/56/99/45/712569945.db2.gz YLSQZOOGABVXDW-IDWGSYCQSA-N 1 0 225.336 0.371 10 0 BCAERO CCCn1cc(C[NH2+]C2CC(C(N)=O)C2)nn1 ZINC000716684601 712570075 /nfs/dbraw/zinc/57/00/75/712570075.db2.gz BMFWCACIQTUBLD-UHFFFAOYSA-N 1 0 237.307 0.042 10 0 BCAERO CC[C@](C)(C[NH2+]C1CC(C(N)=O)C1)OC ZINC000716704724 712570364 /nfs/dbraw/zinc/57/03/64/712570364.db2.gz FMVJQUDOBGCVLJ-NWGYLPEXSA-N 1 0 214.309 0.655 10 0 BCAERO NC(=O)C1CC([NH2+]CC2(O)CCCC2)C1 ZINC000716705648 712570505 /nfs/dbraw/zinc/57/05/05/712570505.db2.gz KMZHYOBBIIKDNC-UHFFFAOYSA-N 1 0 212.293 0.145 10 0 BCAERO CO[C@@H](C)[C@@H](C)[NH2+]C1CC(C(N)=O)C1 ZINC000716722739 712570705 /nfs/dbraw/zinc/57/07/05/712570705.db2.gz KRUZFXOXVJXZJV-DKATWDMPSA-N 1 0 200.282 0.263 10 0 BCAERO NC(=O)C1CC(N[C@H]2C[C@@H]([NH3+])c3ccccc32)C1 ZINC000716721229 712570946 /nfs/dbraw/zinc/57/09/46/712570946.db2.gz AIYVHAQDHMZJAR-VCQNEHTGSA-N 1 0 245.326 0.985 10 0 BCAERO Cc1c[nH]c(C[NH2+]C2CC(C(N)=O)C2)n1 ZINC000716732965 712571438 /nfs/dbraw/zinc/57/14/38/712571438.db2.gz WBDXDBDOCUFSCR-UHFFFAOYSA-N 1 0 208.265 0.072 10 0 BCAERO NC(=O)C1CC([NH2+]C[C@@H]2CCC=CO2)C1 ZINC000716742442 712572136 /nfs/dbraw/zinc/57/21/36/712572136.db2.gz YJWUQVSJQWMSLB-RTBKNWGFSA-N 1 0 210.277 0.533 10 0 BCAERO C[C@@H]([NH2+]C1CC(C(N)=O)C1)c1cnn(C)c1 ZINC000716753735 712572500 /nfs/dbraw/zinc/57/25/00/712572500.db2.gz CCIGFFKDOMNPNK-ZNFPMYQNSA-N 1 0 222.292 0.335 10 0 BCAERO CC[C@@H]([NH2+]C1CC(C(N)=O)C1)[C@@H]1CCOC1 ZINC000716768438 712572846 /nfs/dbraw/zinc/57/28/46/712572846.db2.gz BIPJZYQBYRDDAK-AGVGLQIMSA-N 1 0 226.320 0.655 10 0 BCAERO COc1ncccc1NC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000111266205 712613418 /nfs/dbraw/zinc/61/34/18/712613418.db2.gz MWNTVGQEGQHFRU-RKDXNWHRSA-N 1 0 235.287 0.884 10 0 BCAERO C[C@@H]1CC[C@H]1[NH2+][C@@H]1CCc2ncnn2C1 ZINC000380075056 712684763 /nfs/dbraw/zinc/68/47/63/712684763.db2.gz FDQGXXNVGHPMMO-OPRDCNLKSA-N 1 0 206.293 0.981 10 0 BCAERO CC(=O)[C@H]1CCCN(CC(=O)NCC2CC2)C1 ZINC000111689727 712688414 /nfs/dbraw/zinc/68/84/14/712688414.db2.gz CRJHRNPUVMBFLC-LBPRGKRZSA-N 1 0 238.331 0.814 10 0 BCAERO C[C@@H]1CO[C@H](C(=O)N[C@H]2CCC[NH2+][C@@H]2C)C1 ZINC000718512879 712768159 /nfs/dbraw/zinc/76/81/59/712768159.db2.gz ZZNXSDDPNNUJHU-VLEAKVRGSA-N 1 0 226.320 0.668 10 0 BCAERO C[C@@H]1CO[C@@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000718519887 712768809 /nfs/dbraw/zinc/76/88/09/712768809.db2.gz OCGLUHUQEVHZRN-LAVVOLMRSA-N 1 0 238.331 0.811 10 0 BCAERO C[C@@H]1CO[C@H](C(=O)N[C@@H](C[NH3+])C(F)(F)F)C1 ZINC000718561770 712773237 /nfs/dbraw/zinc/77/32/37/712773237.db2.gz ZXGJKBBEBHLJGN-ACZMJKKPSA-N 1 0 240.225 0.417 10 0 BCAERO CC(F)(F)CCC[N@@H+]1C[C@H](O)C[C@@H]1CO ZINC000718705726 712778353 /nfs/dbraw/zinc/77/83/53/712778353.db2.gz CUAYNSYYJKSSGC-RKDXNWHRSA-N 1 0 223.263 0.849 10 0 BCAERO CC[C@](C)(O)C[N@@H+]1CC[C@@H](C2OCCO2)C1 ZINC000719085021 712796347 /nfs/dbraw/zinc/79/63/47/712796347.db2.gz QTHXMGOVCMZYQG-PWSUYJOCSA-N 1 0 229.320 0.842 10 0 BCAERO C[C@H]1C[C@H]1NC(=O)c1c(C[NH3+])cnn1C ZINC000719245101 712801432 /nfs/dbraw/zinc/80/14/32/712801432.db2.gz PSSAYTKMWYWLQT-POYBYMJQSA-N 1 0 208.265 0.017 10 0 BCAERO C[C@H](C[C@H]1CCC[NH2+]1)N[C@@H](C)c1cn(C)nn1 ZINC000720592626 712855853 /nfs/dbraw/zinc/85/58/53/712855853.db2.gz XYQYMRKJODWDNZ-OUAUKWLOSA-N 1 0 237.351 0.996 10 0 BCAERO C[C@@H](N[C@H]1C[NH2+]C[C@@H](C)C1)c1cn(C)nn1 ZINC000720604327 712857793 /nfs/dbraw/zinc/85/77/93/712857793.db2.gz ZPNPDFRZQDSYMP-IVZWLZJFSA-N 1 0 223.324 0.464 10 0 BCAERO C[C@H]1Cc2cc(C[NH2+][C@@H]3CCNC3=O)ccc2O1 ZINC000720708099 712861957 /nfs/dbraw/zinc/86/19/57/712861957.db2.gz YYRKYVIMYFQEJY-JOYOIKCWSA-N 1 0 246.310 0.988 10 0 BCAERO C[NH2+]CCN(c1ncnc2c1cnn2C)C(C)C ZINC000720800004 712866565 /nfs/dbraw/zinc/86/65/65/712866565.db2.gz PDFNDGFUKJNTSR-UHFFFAOYSA-N 1 0 248.334 0.798 10 0 BCAERO C[NH2+]CCN(c1cc(C)nc2ncnn21)C(C)C ZINC000720799246 712866634 /nfs/dbraw/zinc/86/66/34/712866634.db2.gz MQEKEOGCOHTKEC-UHFFFAOYSA-N 1 0 248.334 0.867 10 0 BCAERO COC(=O)c1n[nH]nc1C1CC[NH+](C)CC1 ZINC000685953605 538898091 /nfs/dbraw/zinc/89/80/91/538898091.db2.gz NCRCFHDGPHGGIT-UHFFFAOYSA-N 1 0 224.264 0.401 10 0 BCAERO CN1CC[C@H]([NH3+])C12C[C@H]1CC[C@@H](C2)S1(=O)=O ZINC000685954784 538899342 /nfs/dbraw/zinc/89/93/42/538899342.db2.gz OZUGLGKZDRDLLO-JDUUOCRZSA-N 1 0 244.360 0.128 10 0 BCAERO C[C@@H]1C[C@@H](C[NH3+])CC[C@@H]1S(C)(=O)=O ZINC000685955109 538900096 /nfs/dbraw/zinc/90/00/96/538900096.db2.gz SZFXSLXILIHXSL-VGMNWLOBSA-N 1 0 205.323 0.795 10 0 BCAERO COCCOCCOCC(F)(F)C[NH3+] ZINC000685956525 538902963 /nfs/dbraw/zinc/90/29/63/538902963.db2.gz VUVWXIJSTMROTD-UHFFFAOYSA-N 1 0 213.224 0.260 10 0 BCAERO CNCC(F)(F)COC[C@@H]1CCOC1 ZINC000685957123 538903687 /nfs/dbraw/zinc/90/36/87/538903687.db2.gz QRYPPPDVBWZCEF-MRVPVSSYSA-N 1 0 209.236 0.894 10 0 BCAERO CC(C)[C@]1(CO)C[C@H]1C[NH2+][C@H](C)CO ZINC000685960990 538907927 /nfs/dbraw/zinc/90/79/27/538907927.db2.gz KSONQWSXLFOWKJ-OUAUKWLOSA-N 1 0 201.310 0.611 10 0 BCAERO CC(C)[C@@]1(CO)C[C@@H]1C[NH2+][C@H](C)CO ZINC000685960989 538908135 /nfs/dbraw/zinc/90/81/35/538908135.db2.gz KSONQWSXLFOWKJ-MXWKQRLJSA-N 1 0 201.310 0.611 10 0 BCAERO COCC[NH2+]C[C@@H]1C[C@]1(CO)C(C)C ZINC000685961391 538908590 /nfs/dbraw/zinc/90/85/90/538908590.db2.gz QZQKEZJDLKAVPF-QWRGUYRKSA-N 1 0 201.310 0.877 10 0 BCAERO CC1(C)OC[C@@H]([C@@H](CO)CC[NH2+]C2CC2)O1 ZINC000685963047 538909728 /nfs/dbraw/zinc/90/97/28/538909728.db2.gz FNLHHMSANMVLNX-KOLCDFICSA-N 1 0 229.320 0.889 10 0 BCAERO COCC(=O)Nc1nc(C[NH3+])cs1 ZINC000675074330 538915408 /nfs/dbraw/zinc/91/54/08/538915408.db2.gz ZYHJYZQKJGJGSN-UHFFFAOYSA-N 1 0 201.251 0.187 10 0 BCAERO CC(C)S(=O)(=O)NC[C@@H]1C[C@@H]2C[C@@H]([NH3+])[C@H]2C1 ZINC000675074331 538915429 /nfs/dbraw/zinc/91/54/29/538915429.db2.gz ZZARVPOJTWIFQU-CHWFTXMASA-N 1 0 246.376 0.688 10 0 BCAERO FC(F)(F)[C@@H]([C@H]1CCOC1)N1CC[NH2+]CC1 ZINC000685965179 538911441 /nfs/dbraw/zinc/91/14/41/538911441.db2.gz SAENJZDSPXCBGD-DTWKUNHWSA-N 1 0 238.253 0.859 10 0 BCAERO CCCCNC(=O)C[N@@H+]1CC[C@@H](CCO)C1 ZINC000161606539 349484607 /nfs/dbraw/zinc/48/46/07/349484607.db2.gz OORMQXCFLGWRNH-NSHDSACASA-N 1 0 228.336 0.607 10 0 BCAERO Cn1ncc(CC(=O)[C@@H]2CC[C@H]([NH3+])C2)n1 ZINC000307377240 398144509 /nfs/dbraw/zinc/14/45/09/398144509.db2.gz WMMNHMXUKGYLKB-SFYZADRCSA-N 1 0 208.265 0.054 10 0 BCAERO CCC(CC)(CO)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000226694018 168327311 /nfs/dbraw/zinc/32/73/11/168327311.db2.gz ISWYRZVHDINRDZ-SNVBAGLBSA-N 1 0 228.336 0.653 10 0 BCAERO CC(C)NC(=O)CC[N@@H+]1CC[C@@H](CCO)C1 ZINC000161591629 349481132 /nfs/dbraw/zinc/48/11/32/349481132.db2.gz WKCAXJOPXJGWGD-NSHDSACASA-N 1 0 228.336 0.605 10 0 BCAERO CC(C)(C)OC(=O)[C@@H]1C[C@@H](O)[C@H](C[NH3+])C1 ZINC000213596279 349499924 /nfs/dbraw/zinc/49/99/24/349499924.db2.gz VTFJLPVDBYVBKB-XHNCKOQMSA-N 1 0 215.293 0.674 10 0 BCAERO Cc1nnsc1C(=O)NCC[C@@H](C)[NH3+] ZINC000063170114 349500986 /nfs/dbraw/zinc/50/09/86/349500986.db2.gz GLRBSNSGNSLRSS-RXMQYKEDSA-N 1 0 214.294 0.314 10 0 BCAERO C[NH+](C)[C@H]1CCN(c2ccc(N)cn2)C1 ZINC000062965476 349502893 /nfs/dbraw/zinc/50/28/93/349502893.db2.gz YMTSCQAEHHZTLJ-JTQLQIEISA-N 1 0 206.293 0.804 10 0 BCAERO C[C@H]([NH3+])CC(=O)N[C@@H]1c2ccccc2C[C@H]1O ZINC000379796285 398168774 /nfs/dbraw/zinc/16/87/74/398168774.db2.gz OKARFBFUKPPUMD-RLCGTCKNSA-N 1 0 234.299 0.498 10 0 BCAERO Cc1cc(C[NH2+][C@H](C)C(N)=O)cc(C)c1O ZINC000035148832 178036697 /nfs/dbraw/zinc/03/66/97/178036697.db2.gz FMFIDYWQYAZQMJ-SECBINFHSA-N 1 0 222.288 0.972 10 0 BCAERO [NH3+]C1CC(=C2CCS(=O)(=O)CC2)C1 ZINC000575516855 398175730 /nfs/dbraw/zinc/17/57/30/398175730.db2.gz FHMYHPQHCBYJIZ-UHFFFAOYSA-N 1 0 201.291 0.613 10 0 BCAERO Cc1nc[nH]c1CNC(=O)C1CCC([NH3+])CC1 ZINC000379975370 398177420 /nfs/dbraw/zinc/17/74/20/398177420.db2.gz QGQNSBAVUIMWIF-UHFFFAOYSA-N 1 0 236.319 0.852 10 0 BCAERO C[C@@H]1[C@@H]([NH3+])CCN1S(=O)(=O)CC1CCC1 ZINC000379702960 398161476 /nfs/dbraw/zinc/16/14/76/398161476.db2.gz AMCLYIZSOMQFSZ-SCZZXKLOSA-N 1 0 232.349 0.538 10 0 BCAERO Cc1cc(N(C)[C@@H]2CC[NH2+]C2)n2ncnc2n1 ZINC000071311712 178100512 /nfs/dbraw/zinc/10/05/12/178100512.db2.gz CZFHSYJIMSQQLE-SECBINFHSA-N 1 0 232.291 0.231 10 0 BCAERO Nc1cccc([C@@H]2CCN(CC[NH3+])C2)n1 ZINC000616612307 349517363 /nfs/dbraw/zinc/51/73/63/349517363.db2.gz RANQKZSXNKHDMH-SECBINFHSA-N 1 0 206.293 0.412 10 0 BCAERO Cc1cc(NC(=O)C2(C[NH3+])CC2)n(C)n1 ZINC000082640705 178125642 /nfs/dbraw/zinc/12/56/42/178125642.db2.gz MDXUXIUEAHFODI-UHFFFAOYSA-N 1 0 208.265 0.406 10 0 BCAERO Cc1cc(NC(=O)C2CC[NH2+]CC2)on1 ZINC000019408332 178127490 /nfs/dbraw/zinc/12/74/90/178127490.db2.gz YVAHRCXXOHQMQD-UHFFFAOYSA-N 1 0 209.249 0.921 10 0 BCAERO C[N@@H+]1CCC[C@H]1CN1C[C@H](CO)OC(C)(C)C1 ZINC000386327827 398205792 /nfs/dbraw/zinc/20/57/92/398205792.db2.gz OYPILGVNTOBAMY-NWDGAFQWSA-N 1 0 242.363 0.552 10 0 BCAERO Cc1cnc(N2CCO[C@H]([C@@H](C)[NH3+])C2)nc1C ZINC000386688112 398216971 /nfs/dbraw/zinc/21/69/71/398216971.db2.gz RFTCFOPPDKHOEQ-KOLCDFICSA-N 1 0 236.319 0.646 10 0 BCAERO CS[C@@H]1CC[C@H]1[NH2+]CCn1cncn1 ZINC000425358045 398217436 /nfs/dbraw/zinc/21/74/36/398217436.db2.gz QOZRKVKCVFRTAP-RKDXNWHRSA-N 1 0 212.322 0.762 10 0 BCAERO Cc1cc(NC(=O)[C@H]2CCC[NH2+]C2)no1 ZINC000019409735 178148104 /nfs/dbraw/zinc/14/81/04/178148104.db2.gz KRYVIEZCKUPTEH-QMMMGPOBSA-N 1 0 209.249 0.921 10 0 BCAERO CC[NH2+]CCCNc1ncc(C)c(C)n1 ZINC000386529126 398211635 /nfs/dbraw/zinc/21/16/35/398211635.db2.gz ZCLYQZHNVNGHLS-UHFFFAOYSA-N 1 0 208.309 0.927 10 0 BCAERO Cc1cc(NCCN2CC[NH2+]CC2)ncn1 ZINC000040727530 178161324 /nfs/dbraw/zinc/16/13/24/178161324.db2.gz LIAGXTNDUHPHSL-UHFFFAOYSA-N 1 0 221.308 0.102 10 0 BCAERO Cc1cc(NCCN2CC[NH2+]CC2)nc(C)n1 ZINC000037756877 178161640 /nfs/dbraw/zinc/16/16/40/178161640.db2.gz BDGIVHCZLJXSJJ-UHFFFAOYSA-N 1 0 235.335 0.411 10 0 BCAERO COC[C@H](C)C[NH2+][C@H]1CCCNC1=O ZINC000163331847 538928124 /nfs/dbraw/zinc/92/81/24/538928124.db2.gz SHSNCXVZKHPUPM-BDAKNGLRSA-N 1 0 200.282 0.137 10 0 BCAERO Cc1cc(N[C@H]2CCC[C@H]2[NH3+])n2ncnc2n1 ZINC000063177288 178189094 /nfs/dbraw/zinc/18/90/94/178189094.db2.gz NBAFRQFMAKFYPL-BDAKNGLRSA-N 1 0 232.291 0.724 10 0 BCAERO [NH3+]CC[C@]1(O)CCCC2(C1)OCCO2 ZINC000606275742 538929928 /nfs/dbraw/zinc/92/99/28/538929928.db2.gz JUOCQTXVNZPPAC-SECBINFHSA-N 1 0 201.266 0.383 10 0 BCAERO CCOc1ccccc1[C@@H]([NH3+])CC(N)=O ZINC000020577969 538932538 /nfs/dbraw/zinc/93/25/38/538932538.db2.gz QTYNOLSDQQWFKS-VIFPVBQESA-N 1 0 208.261 0.961 10 0 BCAERO C[C@@H]1C[C@H](O)CN1[C@@H](C[NH3+])C(F)(F)F ZINC000306643411 361781600 /nfs/dbraw/zinc/78/16/00/361781600.db2.gz WNVBNAWNDYTBRK-VQVTYTSYSA-N 1 0 212.215 0.331 10 0 BCAERO Cc1cc(S(N)(=O)=O)sc1C[NH3+] ZINC000082640129 178216853 /nfs/dbraw/zinc/21/68/53/178216853.db2.gz XLEDSCODYUMFBW-UHFFFAOYSA-N 1 0 206.292 0.163 10 0 BCAERO CCC(CC)C[N@@H+]1C[C@H](O)C[C@@H]1CO ZINC000370395791 168353995 /nfs/dbraw/zinc/35/39/95/168353995.db2.gz JAWYRGFPWMMLPI-GHMZBOCLSA-N 1 0 201.310 0.850 10 0 BCAERO CS(=O)(=O)C[C@@H]([NH2+]C1CCOCC1)C1CC1 ZINC000382220214 361799071 /nfs/dbraw/zinc/79/90/71/361799071.db2.gz MTZAVDXQNYFYSQ-LLVKDONJSA-N 1 0 247.360 0.578 10 0 BCAERO COC(C)(C)CC[N@@H+]1CCOC[C@@H]1CO ZINC000230954070 488174828 /nfs/dbraw/zinc/17/48/28/488174828.db2.gz DZOSKALEVGJUCY-JTQLQIEISA-N 1 0 217.309 0.495 10 0 BCAERO CC(C)NC(=O)C[N@@H+]1C[C@@H](C)C[C@H](O)C1 ZINC000334881421 398236536 /nfs/dbraw/zinc/23/65/36/398236536.db2.gz MRWNJWUUVIELCX-UWVGGRQHSA-N 1 0 214.309 0.214 10 0 BCAERO C[C@@H]1CCSCC[N@@H+]1[C@@H]1COC[C@H]1O ZINC000306643592 361807181 /nfs/dbraw/zinc/80/71/81/361807181.db2.gz XDVWROPCEVGIGF-OPRDCNLKSA-N 1 0 217.334 0.574 10 0 BCAERO C[C@@H]1CCSCC[N@@H+]1[C@@H]1COC[C@@H]1O ZINC000306643590 361807228 /nfs/dbraw/zinc/80/72/28/361807228.db2.gz XDVWROPCEVGIGF-BBBLOLIVSA-N 1 0 217.334 0.574 10 0 BCAERO Cc1cc2c(N3CCC[C@@H]3C[NH3+])nccn2n1 ZINC000129933379 178279757 /nfs/dbraw/zinc/27/97/57/178279757.db2.gz APDDTAHLUZPWKU-SNVBAGLBSA-N 1 0 231.303 0.965 10 0 BCAERO COC[C@H](C)C(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000193623549 136228880 /nfs/dbraw/zinc/22/88/80/136228880.db2.gz RGHKJKBCQGRHDE-LPEHRKFASA-N 1 0 214.309 0.526 10 0 BCAERO C[C@@H]1OCC[C@H]1NC(=O)[C@@H]1[NH2+]CC1(C)C ZINC000390790955 398249837 /nfs/dbraw/zinc/24/98/37/398249837.db2.gz BZHYQTFXMDAANE-YIZRAAEISA-N 1 0 212.293 0.278 10 0 BCAERO Cc1cnn(CC[NH2+]C[C@@H](C)S(C)(=O)=O)c1 ZINC000576629781 365642159 /nfs/dbraw/zinc/64/21/59/365642159.db2.gz GASVVCWJIVIMOQ-SNVBAGLBSA-N 1 0 245.348 0.214 10 0 BCAERO Cc1cnn(CC[NH2+]C[C@H](C)S(C)(=O)=O)c1 ZINC000576629777 365642258 /nfs/dbraw/zinc/64/22/58/365642258.db2.gz GASVVCWJIVIMOQ-JTQLQIEISA-N 1 0 245.348 0.214 10 0 BCAERO Cc1nc(C)c(C(=O)N2CC[C@@H]([NH3+])[C@@H]2C)o1 ZINC000380847382 398251867 /nfs/dbraw/zinc/25/18/67/398251867.db2.gz WVGJIRQGDWWONZ-IONNQARKSA-N 1 0 223.276 0.853 10 0 BCAERO CC[C@H](C)[C@@H](C[NH2+]C[C@H]1CN(C)CCO1)OC ZINC000381334970 398252416 /nfs/dbraw/zinc/25/24/16/398252416.db2.gz ADFVABCXKOBHJF-RWMBFGLXSA-N 1 0 244.379 0.968 10 0 BCAERO CCC(CC)N(C)C(=O)C(=O)N1CC[NH2+]CC1 ZINC000036789598 168368108 /nfs/dbraw/zinc/36/81/08/168368108.db2.gz YKTSQCYBMOYGRH-UHFFFAOYSA-N 1 0 241.335 0.065 10 0 BCAERO Cc1ccc(-c2noc(C(=O)NCC[NH3+])n2)cc1 ZINC000012396836 178342601 /nfs/dbraw/zinc/34/26/01/178342601.db2.gz MXNYUGLGDWWRFZ-UHFFFAOYSA-N 1 0 246.270 0.734 10 0 BCAERO Cc1ccc(=O)n(C[C@H]([NH3+])C(C)(C)C)n1 ZINC000061810442 178361333 /nfs/dbraw/zinc/36/13/33/178361333.db2.gz HVJAOVKLGALHBR-VIFPVBQESA-N 1 0 209.293 0.925 10 0 BCAERO O=C(NCC1(CO)CCCCC1)[C@H]1CC[NH2+]1 ZINC000384815047 398259931 /nfs/dbraw/zinc/25/99/31/398259931.db2.gz KDMJZTCSLHDXAU-SNVBAGLBSA-N 1 0 226.320 0.407 10 0 BCAERO C[C@H](O)[C@H]1CC[N@H+](C[C@H]2CCCN2C)C1 ZINC000386345716 398264597 /nfs/dbraw/zinc/26/45/97/398264597.db2.gz SUZBYHPJASXQAA-SDDRHHMPSA-N 1 0 212.337 0.783 10 0 BCAERO Cn1cncc1C[N@@H+]1CC[C@H](CCO)C1 ZINC000162098423 349563567 /nfs/dbraw/zinc/56/35/67/349563567.db2.gz OIAUYTCOPXMMRM-SNVBAGLBSA-N 1 0 209.293 0.624 10 0 BCAERO CCC(CC)N(CCO)C(=O)[C@@H]1CCC[NH2+]C1 ZINC000042526152 168374238 /nfs/dbraw/zinc/37/42/38/168374238.db2.gz ZLIJIAMZGIIIOV-LLVKDONJSA-N 1 0 242.363 0.996 10 0 BCAERO CC[NH2+][C@@H](C)C(=O)N1CCCC[C@H]1C(=O)OC ZINC000602499311 349559663 /nfs/dbraw/zinc/55/96/63/349559663.db2.gz JFLQAUYFUSHTFU-UWVGGRQHSA-N 1 0 242.319 0.539 10 0 BCAERO C[C@@H]1CO[C@H](CO)CN1C[C@@H]1CCC[N@@H+]1C ZINC000386338006 398264934 /nfs/dbraw/zinc/26/49/34/398264934.db2.gz RFDPEQSOTMMTKR-WOPDTQHZSA-N 1 0 228.336 0.162 10 0 BCAERO CCC(CC)[N@H+](CCOC)[C@@H](C)C(N)=O ZINC000061679389 168374117 /nfs/dbraw/zinc/37/41/17/168374117.db2.gz PUACQNSGCWETIO-VIFPVBQESA-N 1 0 216.325 0.997 10 0 BCAERO Cc1ccc(C(=O)C[NH2+]CCN(C)C)cc1N ZINC000098125993 178373275 /nfs/dbraw/zinc/37/32/75/178373275.db2.gz WKLVISCCSAHDRR-UHFFFAOYSA-N 1 0 235.331 0.911 10 0 BCAERO COc1cc(C)nc(N[C@H](C)[C@@H](C)[NH3+])n1 ZINC000381662518 398268850 /nfs/dbraw/zinc/26/88/50/398268850.db2.gz ARCZUWGNKRFDGL-HTQZYQBOSA-N 1 0 210.281 0.941 10 0 BCAERO CCC(CC)NC(=O)C[NH2+][C@H](C)C(=O)N(C)C ZINC000049285815 168376948 /nfs/dbraw/zinc/37/69/48/168376948.db2.gz RYWOPJVEJFWPRT-SECBINFHSA-N 1 0 243.351 0.358 10 0 BCAERO C[C@H]1CN(C(=O)[C@H]2[NH2+]CC2(C)C)CCS1 ZINC000381814800 398274023 /nfs/dbraw/zinc/27/40/23/398274023.db2.gz IXHKXBOFGRAOGI-DTWKUNHWSA-N 1 0 228.361 0.948 10 0 BCAERO [NH3+][C@@H]1CC[C@@H](C(=O)NCc2csc(=O)[nH]2)C1 ZINC000231705074 342691201 /nfs/dbraw/zinc/69/12/01/342691201.db2.gz NPXPLRYATGSLAO-RNFRBKRXSA-N 1 0 241.316 0.180 10 0 BCAERO [NH3+][C@@H]1CC[C@H](C(=O)N[C@H]2CCCOCC2)C1 ZINC000309589475 342715734 /nfs/dbraw/zinc/71/57/34/342715734.db2.gz YHAIHXZROZJMPD-AXFHLTTASA-N 1 0 226.320 0.799 10 0 BCAERO CO[C@@H]1C[NH2+][C@H](COc2cccnc2)C1 ZINC000079972837 259317547 /nfs/dbraw/zinc/31/75/47/259317547.db2.gz NDAXSNWXBNRDOC-ONGXEEELSA-N 1 0 208.261 0.837 10 0 BCAERO CCC(CC)NC(=O)[C@H](C)[NH2+]CCOC ZINC000034938598 168382380 /nfs/dbraw/zinc/38/23/80/168382380.db2.gz HTCDWVSZZVQZOE-VIFPVBQESA-N 1 0 216.325 0.916 10 0 BCAERO [NH3+][C@H]1CC[C@H](C(=O)NCc2ccno2)C1 ZINC000231893549 342743372 /nfs/dbraw/zinc/74/33/72/342743372.db2.gz OUFWAPATHYJBHG-YUMQZZPRSA-N 1 0 209.249 0.418 10 0 BCAERO [NH3+][C@H]1CC[C@@H](C(=O)NCc2ccno2)C1 ZINC000231893544 342743398 /nfs/dbraw/zinc/74/33/98/342743398.db2.gz OUFWAPATHYJBHG-SFYZADRCSA-N 1 0 209.249 0.418 10 0 BCAERO Nc1[nH+]ccn1C[C@@H]1C[C@H]2COC[C@H]2O1 ZINC000724589566 538966526 /nfs/dbraw/zinc/96/65/26/538966526.db2.gz DLPHIRTVAKRDHC-XHNCKOQMSA-N 1 0 209.249 0.269 10 0 BCAERO CC(C)(C)CNC(=O)[C@@H]1CSCC[NH2+]1 ZINC000126839199 342730296 /nfs/dbraw/zinc/73/02/96/342730296.db2.gz NYNDBKXBSONCLU-QMMMGPOBSA-N 1 0 216.350 0.854 10 0 BCAERO CSCC(=O)N1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000602593801 349616477 /nfs/dbraw/zinc/61/64/77/349616477.db2.gz NEJYXTYKBXMCIC-YUMQZZPRSA-N 1 0 202.323 0.403 10 0 BCAERO C[C@H]1CCN(S(=O)(=O)C2CC2)C[C@@H]1[NH3+] ZINC000070910391 361876358 /nfs/dbraw/zinc/87/63/58/361876358.db2.gz SGLWGVHXUIMAAW-CBAPKCEASA-N 1 0 218.322 0.148 10 0 BCAERO CSCCNC(=O)[C@@H]1CCNCC1(F)F ZINC000309633806 342771220 /nfs/dbraw/zinc/77/12/20/342771220.db2.gz LRGULQRNRVEVRJ-ZETCQYMHSA-N 1 0 238.303 0.710 10 0 BCAERO C[NH2+][C@H]1CCN(CCNC(=O)OC(C)(C)C)C1 ZINC000616613157 349617883 /nfs/dbraw/zinc/61/78/83/349617883.db2.gz YWFKKCDGMRUKBP-JTQLQIEISA-N 1 0 243.351 0.805 10 0 BCAERO C[C@@H]([NH3+])C(=O)NCC1(C)CCOCC1 ZINC000225556702 342779394 /nfs/dbraw/zinc/77/93/94/342779394.db2.gz KLMGNCOXZYNEDU-MRVPVSSYSA-N 1 0 200.282 0.267 10 0 BCAERO COC(=O)[C@@H]([NH3+])C1C[C@@H](C)O[C@H](C)C1 ZINC000147918874 342784319 /nfs/dbraw/zinc/78/43/19/342784319.db2.gz ATTLKRBHQFKKPL-BHNWBGBOSA-N 1 0 201.266 0.690 10 0 BCAERO C[NH2+]CCCS(=O)(=O)CCC(F)(F)F ZINC000148326871 342790612 /nfs/dbraw/zinc/79/06/12/342790612.db2.gz BAXLDPIQADBTNZ-UHFFFAOYSA-N 1 0 233.255 0.963 10 0 BCAERO Cc1cc(N[C@@H]2CCOC[C@@H]2O)cc[nH+]1 ZINC000624682048 342818893 /nfs/dbraw/zinc/81/88/93/342818893.db2.gz GUHAJFGENRSDKG-MNOVXSKESA-N 1 0 208.261 0.374 10 0 BCAERO CSCC(=O)N1CC[C@H](C)[C@@H]([NH3+])C1 ZINC000069718926 342823257 /nfs/dbraw/zinc/82/32/57/342823257.db2.gz BWKRFIQOMOBTKO-YUMQZZPRSA-N 1 0 202.323 0.545 10 0 BCAERO COC[C@@H](C)C[NH2+]C[C@@H](C)N1CCOCC1 ZINC000187644040 538976548 /nfs/dbraw/zinc/97/65/48/538976548.db2.gz VUAOUEYONFGMNW-NWDGAFQWSA-N 1 0 230.352 0.579 10 0 BCAERO NC(=O)CC[N@@H+]1CCc2sccc2C1 ZINC000010107034 342834208 /nfs/dbraw/zinc/83/42/08/342834208.db2.gz JMKQAIRTPUUYQC-UHFFFAOYSA-N 1 0 210.302 0.982 10 0 BCAERO CC[C@H](C)[C@@H]([NH3+])C(=O)N[C@@H]1CC(=O)N(CC)C1 ZINC000391726139 398292652 /nfs/dbraw/zinc/29/26/52/398292652.db2.gz MFDREBHRMFMFIX-IQJOONFLSA-N 1 0 241.335 0.097 10 0 BCAERO O=C1NCC[C@H]1[NH2+]CCC1CCOCC1 ZINC000380201665 538987577 /nfs/dbraw/zinc/98/75/77/538987577.db2.gz UFNYJEKMACBEPM-SNVBAGLBSA-N 1 0 212.293 0.281 10 0 BCAERO CN(C)C(=O)C[NH2+][C@@H]1CCC[C@@]1(C)CO ZINC000382364831 361924573 /nfs/dbraw/zinc/92/45/73/361924573.db2.gz UJKHLJLVEAQSNO-KOLCDFICSA-N 1 0 214.309 0.215 10 0 BCAERO O=S(=O)(NC[C@H]1CCCC[NH2+]C1)C1CC1 ZINC000379924899 538982405 /nfs/dbraw/zinc/98/24/05/538982405.db2.gz TTYGAQLUNZVEAG-VIFPVBQESA-N 1 0 232.349 0.458 10 0 BCAERO CC[N@@H+]1CCC[C@H]([C@@H](C)S(N)(=O)=O)C1 ZINC000050350489 539010740 /nfs/dbraw/zinc/01/07/40/539010740.db2.gz JRCKPKBLVVJTGE-BDAKNGLRSA-N 1 0 220.338 0.395 10 0 BCAERO CC[C@@H]([NH3+])C(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000036871037 398295389 /nfs/dbraw/zinc/29/53/89/398295389.db2.gz IVSSQZMOHIWCKA-IWSPIJDZSA-N 1 0 200.282 0.360 10 0 BCAERO C[N@@H+]1CC[C@H](C(=O)N[C@H]2CCCC[C@H]2CO)C1 ZINC000386354605 539013605 /nfs/dbraw/zinc/01/36/05/539013605.db2.gz VDGOHGJTYXZVDJ-SRVKXCTJSA-N 1 0 240.347 0.605 10 0 BCAERO C[C@@H]1OCC[C@@H]1[NH2+][C@@H]1CCc2nccn2C1 ZINC000381201003 538996106 /nfs/dbraw/zinc/99/61/06/538996106.db2.gz FINXDGAQCBUJQM-AXFHLTTASA-N 1 0 221.304 0.965 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)N(CC)CC(=O)N(C)C ZINC000036873441 398295934 /nfs/dbraw/zinc/29/59/34/398295934.db2.gz HCQRHPFKVCPNDN-SECBINFHSA-N 1 0 229.324 0.051 10 0 BCAERO C[C@H]([NH2+][C@@H]1CCCNC1=O)[C@@H]1CCCCO1 ZINC000390428151 539021722 /nfs/dbraw/zinc/02/17/22/539021722.db2.gz NOEQRFQIGXNDNP-AXFHLTTASA-N 1 0 226.320 0.812 10 0 BCAERO Cc1c(C[NH2+][C@@H](CO)CC2CC2)cnn1C ZINC000390629741 539026685 /nfs/dbraw/zinc/02/66/85/539026685.db2.gz KTZXBVDFEDKBBF-GFCCVEGCSA-N 1 0 223.320 0.979 10 0 BCAERO COC[C@@H](C)[NH2+]CC(=O)N1CCC[C@@H](C)C1 ZINC000390618191 539026809 /nfs/dbraw/zinc/02/68/09/539026809.db2.gz HOWIWWCKJXFMII-GHMZBOCLSA-N 1 0 228.336 0.869 10 0 BCAERO O=C1NCC[C@H]1[NH2+]Cc1ccc(F)c(F)c1 ZINC000390749513 539027186 /nfs/dbraw/zinc/02/71/86/539027186.db2.gz BPPOEQJJHZYLEJ-SNVBAGLBSA-N 1 0 226.226 0.943 10 0 BCAERO CCC[C@@H](C[NH3+])[C@H](O)c1csnn1 ZINC000388214461 539014709 /nfs/dbraw/zinc/01/47/09/539014709.db2.gz WJHIZNLBIZVWCM-XPUUQOCRSA-N 1 0 201.295 0.947 10 0 BCAERO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)[C@H]1CCCO1 ZINC000166382898 398298487 /nfs/dbraw/zinc/29/84/87/398298487.db2.gz JGTUAUMPLLTPHU-GMTAPVOTSA-N 1 0 226.320 0.894 10 0 BCAERO CCN1CC[C@@H]([NH2+]C[C@@]2(OC)CCOC2)C1 ZINC000382041836 398300225 /nfs/dbraw/zinc/30/02/25/398300225.db2.gz ITCHAMWSEZMZDA-NEPJUHHUSA-N 1 0 228.336 0.476 10 0 BCAERO CCNC(=O)C[NH2+]CCNC(=O)OC(C)(C)C ZINC000134521421 342860701 /nfs/dbraw/zinc/86/07/01/342860701.db2.gz UYTPMFOCDQNDAW-UHFFFAOYSA-N 1 0 245.323 0.237 10 0 BCAERO CC[NH2+]Cc1c(Br)nnn1C ZINC000233514553 342871996 /nfs/dbraw/zinc/87/19/96/342871996.db2.gz BEADGEHNSGUMDP-UHFFFAOYSA-N 1 0 219.086 0.687 10 0 BCAERO C[C@H](CN1CCS(=O)CC1)[C@H](C)[NH3+] ZINC000165120355 342876600 /nfs/dbraw/zinc/87/66/00/342876600.db2.gz SFKGWDFJIUFDLY-BDAKNGLRSA-N 1 0 204.339 0.034 10 0 BCAERO C[C@@H](NC(=O)CC[NH2+]C1CC1)[C@@H]1CCCO1 ZINC000037478326 488184977 /nfs/dbraw/zinc/18/49/77/488184977.db2.gz AIQACUFTOSGCDW-KOLCDFICSA-N 1 0 226.320 0.812 10 0 BCAERO CC(C)(C)ONC(=O)[C@@H]1CCC[C@H]1[NH3+] ZINC000134507238 342859627 /nfs/dbraw/zinc/85/96/27/342859627.db2.gz ANCIXYPHKTWMJB-HTQZYQBOSA-N 1 0 200.282 0.960 10 0 BCAERO C[C@@H]1[NH2+]CC[C@@H]1C(=O)NOC(C)(C)C ZINC000134507772 342859672 /nfs/dbraw/zinc/85/96/72/342859672.db2.gz SNJJGRIBLPGTKF-YUMQZZPRSA-N 1 0 200.282 0.831 10 0 BCAERO CC(C)(C)ONC(=O)[C@@H]1CCC[NH2+]C1 ZINC000134506344 342859678 /nfs/dbraw/zinc/85/96/78/342859678.db2.gz LQWKZMFCDQWDFP-MRVPVSSYSA-N 1 0 200.282 0.832 10 0 BCAERO CC[C@@H]([NH3+])c1c(Br)nnn1C ZINC000233887040 342894115 /nfs/dbraw/zinc/89/41/15/342894115.db2.gz QKAUQBBEYQODSA-SCSAIBSYSA-N 1 0 219.086 0.987 10 0 BCAERO COCc1noc([C@H]2CSC[C@H]2[NH3+])n1 ZINC000134816041 342893527 /nfs/dbraw/zinc/89/35/27/342893527.db2.gz AIGDTXFIXYDIIV-NTSWFWBYSA-N 1 0 215.278 0.374 10 0 BCAERO CCOC(=O)COCC1CC[NH2+]CC1 ZINC000165319483 342906840 /nfs/dbraw/zinc/90/68/40/342906840.db2.gz KJYXFUVHYMVEMB-UHFFFAOYSA-N 1 0 201.266 0.566 10 0 BCAERO CCC[C@H]([NH3+])C(=O)NCc1ccccn1 ZINC000036872924 342912660 /nfs/dbraw/zinc/91/26/60/342912660.db2.gz PVKSYHWHPBBYOX-JTQLQIEISA-N 1 0 207.277 0.825 10 0 BCAERO C[NH2+]CCCC(=O)NCCn1cc(C)cn1 ZINC000234366857 342921798 /nfs/dbraw/zinc/92/17/98/342921798.db2.gz VVVNWPFFJIBJDE-UHFFFAOYSA-N 1 0 224.308 0.307 10 0 BCAERO C[NH2+][C@H](C)C(=O)N[C@@H]1CCO[C@@H](C)C1 ZINC000234431488 342925369 /nfs/dbraw/zinc/92/53/69/342925369.db2.gz URMJDRBETBPAEM-DJLDLDEBSA-N 1 0 200.282 0.278 10 0 BCAERO CO[C@H](CNC(=O)[C@@H]1CC[C@H](C[NH3+])O1)C(C)C ZINC000261910080 536628591 /nfs/dbraw/zinc/62/85/91/536628591.db2.gz XMWDLRURRLEUKB-OUAUKWLOSA-N 1 0 244.335 0.280 10 0 BCAERO C[C@H](NC(=O)C[NH2+]C1CC1)[C@@H]1CCCO1 ZINC000037476969 398327630 /nfs/dbraw/zinc/32/76/30/398327630.db2.gz DAUBWIIQEWSFNY-WPRPVWTQSA-N 1 0 212.293 0.422 10 0 BCAERO C[C@H]([NH3+])CC(=O)Nc1ccc(N(C)C)nc1 ZINC000037476549 398327749 /nfs/dbraw/zinc/32/77/49/398327749.db2.gz SORABIKVQRHKBZ-QMMMGPOBSA-N 1 0 222.292 0.823 10 0 BCAERO [NH3+][C@H]1CN(CC(F)(F)C(F)F)C1=O ZINC000230693674 346884005 /nfs/dbraw/zinc/88/40/05/346884005.db2.gz SWSSHLWFVWUQGE-VKHMYHEASA-N 1 0 200.135 0.056 10 0 BCAERO C[C@@H](CN(C)C)[NH2+]C[C@@H](O)C(C)(C)C ZINC000308524674 346880946 /nfs/dbraw/zinc/88/09/46/346880946.db2.gz IOAKGOYJCJFFOX-VHSXEESVSA-N 1 0 202.342 0.933 10 0 BCAERO COCCCC(=O)N1C[C@H]([NH3+])[C@@H](C)C1 ZINC000234668610 342935581 /nfs/dbraw/zinc/93/55/81/342935581.db2.gz WXLLFETZDGWXML-IUCAKERBSA-N 1 0 200.282 0.219 10 0 BCAERO CCOCCNC(=O)C1CCC([NH3+])CC1 ZINC000037482310 342937607 /nfs/dbraw/zinc/93/76/07/342937607.db2.gz LVKUWYXAAYCQJO-UHFFFAOYSA-N 1 0 214.309 0.657 10 0 BCAERO CC(C)CCN(C)C(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000037817922 398334623 /nfs/dbraw/zinc/33/46/23/398334623.db2.gz MMGFVPONMCJXCO-NXEZZACHSA-N 1 0 214.309 0.214 10 0 BCAERO [NH3+]C[C@H]1CCC[C@@H]1C(=O)NCc1ccc(=O)[nH]c1 ZINC000392745191 398335119 /nfs/dbraw/zinc/33/51/19/398335119.db2.gz YOBOBKQWQRWRNI-MNOVXSKESA-N 1 0 249.314 0.778 10 0 BCAERO COC[C@@H]([NH3+])C(=O)NCc1nc2ccccc2[nH]1 ZINC000262255706 536665455 /nfs/dbraw/zinc/66/54/55/536665455.db2.gz IYYFVPNTNKHZED-MRVPVSSYSA-N 1 0 248.286 0.153 10 0 BCAERO COCCC[C@H](C)[NH2+]C[C@H]1CN(C)CCO1 ZINC000180495284 536667506 /nfs/dbraw/zinc/66/75/06/536667506.db2.gz XCLYRIOIAZYEBT-RYUDHWBXSA-N 1 0 230.352 0.722 10 0 BCAERO COc1ncccc1C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000234890794 342957517 /nfs/dbraw/zinc/95/75/17/342957517.db2.gz XJAPLKWSGXOQKO-PSASIEDQSA-N 1 0 235.287 0.509 10 0 BCAERO CO[C@H]1CCN(C(=O)[C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000234804562 342954928 /nfs/dbraw/zinc/95/49/28/342954928.db2.gz BXXVJSNIMRNFMV-AXFHLTTASA-N 1 0 226.320 0.751 10 0 BCAERO Cc1nc(CS(N)(=O)=O)sc1[C@@H](C)[NH3+] ZINC000127195444 344020111 /nfs/dbraw/zinc/02/01/11/344020111.db2.gz QRPSDNKNFANUHX-SCSAIBSYSA-N 1 0 235.334 0.260 10 0 BCAERO O=S(=O)(Nc1ccccc1)N1CC[NH2+]CC1 ZINC000020247299 342978502 /nfs/dbraw/zinc/97/85/02/342978502.db2.gz HFKOSUWCYKFGFN-UHFFFAOYSA-N 1 0 241.316 0.249 10 0 BCAERO C[C@H](C[S@@](C)=O)[NH2+]C[C@H](O)C(C)(C)C ZINC000308560945 259340117 /nfs/dbraw/zinc/34/01/17/259340117.db2.gz VZLHRBLUQMOFFY-TVLCNXBWSA-N 1 0 221.366 0.750 10 0 BCAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N(C)C ZINC000113224152 346915502 /nfs/dbraw/zinc/91/55/02/346915502.db2.gz JLWCZCGMLIFVMW-NXEZZACHSA-N 1 0 211.309 0.837 10 0 BCAERO C[C@@H](O)C[N@@H+]1C[C@H]2CCCCN2C[C@H]1C ZINC000086930012 259341549 /nfs/dbraw/zinc/34/15/49/259341549.db2.gz PVVHJBBMCPYSAL-IJLUTSLNSA-N 1 0 212.337 0.926 10 0 BCAERO C[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)OC(C)(C)C ZINC000022047778 343037553 /nfs/dbraw/zinc/03/75/53/343037553.db2.gz GEMSXPOJLIUVKT-IUCAKERBSA-N 1 0 242.319 0.666 10 0 in-vitro BCAERO C[C@H]1CN(C(=O)c2ccc[nH]c2=O)C[C@@H]1[NH3+] ZINC000235669597 343055367 /nfs/dbraw/zinc/05/53/67/343055367.db2.gz DLQNUGVBZCLUCA-CBAPKCEASA-N 1 0 221.260 0.206 10 0 BCAERO Cc1nn(C)cc1C(=O)N1C[C@H](C)[C@H]([NH3+])C1 ZINC000235675786 343055399 /nfs/dbraw/zinc/05/53/99/343055399.db2.gz GYBRQNQCJOGYIZ-OIBJUYFYSA-N 1 0 222.292 0.148 10 0 BCAERO NC(=S)CC[N@@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000043425444 343066941 /nfs/dbraw/zinc/06/69/41/343066941.db2.gz BQFBXWOFXCAFGN-DTWKUNHWSA-N 1 0 214.334 0.916 10 0 BCAERO CC(C)(C)C(=[NH2+])NC1CS(=O)(=O)C1 ZINC000306663655 362020980 /nfs/dbraw/zinc/02/09/80/362020980.db2.gz RARITBYJOYWSAW-UHFFFAOYSA-N 1 0 204.295 0.396 10 0 BCAERO CC(C)[S@@](=O)N1CC[C@@H](C)[C@H]([NH3+])C1 ZINC000306663847 362021065 /nfs/dbraw/zinc/02/10/65/362021065.db2.gz RGJACWFUHOARCO-JRKPZEMJSA-N 1 0 204.339 0.728 10 0 BCAERO CCNC(=O)Cn1c(C[NH3+])nc2ccccc21 ZINC000584883242 343085878 /nfs/dbraw/zinc/08/58/78/343085878.db2.gz NEGFHNOEROGTFK-UHFFFAOYSA-N 1 0 232.287 0.631 10 0 BCAERO C[NH2+]C[C@@H](O)C[C@](C)(O)C1CCOCC1 ZINC000584883277 343085882 /nfs/dbraw/zinc/08/58/82/343085882.db2.gz KFAROMSSHDDHQE-QWRGUYRKSA-N 1 0 217.309 0.134 10 0 BCAERO CC[NH2+]C[C@@H](O)C[C@@](C)(O)CC1CC1 ZINC000584883448 343086289 /nfs/dbraw/zinc/08/62/89/343086289.db2.gz NVFSMOVIMLQLKD-QWRGUYRKSA-N 1 0 201.310 0.898 10 0 BCAERO O=C(C[C@@H]1CCC[NH2+]C1)NCCOCC1CC1 ZINC000236388738 343091499 /nfs/dbraw/zinc/09/14/99/343091499.db2.gz RTTZAKOSEASGGH-LBPRGKRZSA-N 1 0 240.347 0.919 10 0 BCAERO Nc1n[nH]c(SC[C@H]2CCCC[NH2+]2)n1 ZINC000043495510 343091810 /nfs/dbraw/zinc/09/18/10/343091810.db2.gz TZCVTCQLUZQSPJ-ZCFIWIBFSA-N 1 0 213.310 0.621 10 0 BCAERO C[C@@H](Cn1cccn1)NC1=[NH+]CCS1 ZINC000042542111 362008339 /nfs/dbraw/zinc/00/83/39/362008339.db2.gz COGUSBRKBPXAFK-QMMMGPOBSA-N 1 0 210.306 0.964 10 0 BCAERO Nc1nc2c(c(C(F)(F)F)n1)C[NH2+]CC2 ZINC000043464077 343076361 /nfs/dbraw/zinc/07/63/61/343076361.db2.gz BTWQLWCLRSXROX-UHFFFAOYSA-N 1 0 218.182 0.723 10 0 BCAERO CC(C)(C)OC(=O)N[C@@H]1C[NH2+]CCOC1 ZINC000215591286 343077513 /nfs/dbraw/zinc/07/75/13/343077513.db2.gz ZKGJDFARDRHXIQ-MRVPVSSYSA-N 1 0 216.281 0.500 10 0 BCAERO OCCCC[NH2+]C[C@@H](O)COCc1ccco1 ZINC000236497538 343097054 /nfs/dbraw/zinc/09/70/54/343097054.db2.gz HPHWYHPLRYZTRI-LLVKDONJSA-N 1 0 243.303 0.519 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)N[C@@H]1CCSC1 ZINC000231353283 488201062 /nfs/dbraw/zinc/20/10/62/488201062.db2.gz LBUJBWMSYLPKFD-RKDXNWHRSA-N 1 0 216.350 0.982 10 0 BCAERO C[C@H](C(N)=S)[N@@H+]1CCOC(C)(C)C1 ZINC000043514122 343115488 /nfs/dbraw/zinc/11/54/88/343115488.db2.gz RPSAVRQCJKOQJB-SSDOTTSWSA-N 1 0 202.323 0.772 10 0 BCAERO CCOC(=O)C1CCN(C(=O)[C@@H](C)[NH2+]C)CC1 ZINC000049752985 343116903 /nfs/dbraw/zinc/11/69/03/343116903.db2.gz HZHYOSLPFWYCIF-SECBINFHSA-N 1 0 242.319 0.396 10 0 BCAERO C=Cn1cc(C[NH2+][C@H]2CCC(=O)N[C@@H]2C)cn1 ZINC000282244961 187240793 /nfs/dbraw/zinc/24/07/93/187240793.db2.gz GHOCQVDARDTGEU-KOLCDFICSA-N 1 0 234.303 0.740 10 0 BCAERO CC[C@@H](C(N)=S)[N@@H+]1CCCN(C)CC1 ZINC000043539590 343132225 /nfs/dbraw/zinc/13/22/25/343132225.db2.gz MNIGOWDWABUZIJ-VIFPVBQESA-N 1 0 215.366 0.689 10 0 BCAERO Cc1nccnc1C[NH2+][C@H]1CCC(=O)N[C@@H]1C ZINC000621351122 343137269 /nfs/dbraw/zinc/13/72/69/343137269.db2.gz FYFBBOOSZLLECN-ZJUUUORDSA-N 1 0 234.303 0.542 10 0 BCAERO CC(=O)CC(=O)N1CCC([NH+](C)C)CC1 ZINC000037790646 343144415 /nfs/dbraw/zinc/14/44/15/343144415.db2.gz FSDWVQGTSUNLHN-UHFFFAOYSA-N 1 0 212.293 0.518 10 0 BCAERO C[C@H]1[NH2+]CC[C@H]1C(=O)N1CCn2ccnc2C1 ZINC000092956769 343150154 /nfs/dbraw/zinc/15/01/54/343150154.db2.gz SGZFLHSCLCENTB-NXEZZACHSA-N 1 0 234.303 0.223 10 0 BCAERO C[C@H]1CCN(C(=O)C(C)(C)N2CC[NH2+]CC2)C1 ZINC000131253452 343183392 /nfs/dbraw/zinc/18/33/92/343183392.db2.gz FRAOPTPJBHJICS-NSHDSACASA-N 1 0 239.363 0.539 10 0 BCAERO COC(=O)c1ccc(N(C)CC[NH3+])nc1C ZINC000133914927 343186121 /nfs/dbraw/zinc/18/61/21/343186121.db2.gz XEMPCYWALHKFFM-UHFFFAOYSA-N 1 0 223.276 0.572 10 0 BCAERO CC[C@@H](C)[N@H+](CCO)C[C@H]1CNC(=O)O1 ZINC000379919591 365735224 /nfs/dbraw/zinc/73/52/24/365735224.db2.gz RCKPCICTXCDVKI-RKDXNWHRSA-N 1 0 216.281 0.188 10 0 BCAERO C[C@H]1CC[C@@H](C[NH2+]CC2(O)CCOCC2)O1 ZINC000148814965 343195879 /nfs/dbraw/zinc/19/58/79/343195879.db2.gz HBUWYKDWZIKZKQ-QWRGUYRKSA-N 1 0 229.320 0.685 10 0 BCAERO Nc1ccc(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)nc1 ZINC000156804255 343198779 /nfs/dbraw/zinc/19/87/79/343198779.db2.gz WBZFCRNQQUHTFS-NSHDSACASA-N 1 0 246.314 0.584 10 0 BCAERO CO[C@H]1C[NH2+][C@@H](C(=O)N(C)CC(F)F)C1 ZINC000159131261 343202039 /nfs/dbraw/zinc/20/20/39/343202039.db2.gz PDXMYICKLQWALQ-RNFRBKRXSA-N 1 0 222.235 0.087 10 0 BCAERO CN1CCN(c2ncc(Cl)cn2)[C@H](C[NH3+])C1 ZINC000168074155 343210154 /nfs/dbraw/zinc/21/01/54/343210154.db2.gz NMTMEMYOUITKKV-SECBINFHSA-N 1 0 241.726 0.209 10 0 BCAERO C[C@H](C[C@H](C)[NH3+])Nc1ccc(C(N)=O)nn1 ZINC000165743623 343212300 /nfs/dbraw/zinc/21/23/00/343212300.db2.gz JFXPOOSLBPDPAK-NKWVEPMBSA-N 1 0 223.280 0.113 10 0 BCAERO C[C@H]1CN(C(=O)[C@H]2CCCO2)CC[C@H]1[NH3+] ZINC000166393574 343213123 /nfs/dbraw/zinc/21/31/23/343213123.db2.gz DXLVZTBHGHIDMJ-IVZWLZJFSA-N 1 0 212.293 0.361 10 0 BCAERO O=C1C[N+](=O)CCN1Cc1ccccc1 ZINC000038235443 187248844 /nfs/dbraw/zinc/24/88/44/187248844.db2.gz SIMIASIEDZWGPS-UHFFFAOYSA-N 1 0 204.229 0.610 10 0 BCAERO CN(C(=O)[C@@]1(C)CCC[NH2+]1)[C@H]1CCOC1 ZINC000134273558 343193683 /nfs/dbraw/zinc/19/36/83/343193683.db2.gz QFOZOJCYOWQVHU-GXSJLCMTSA-N 1 0 212.293 0.376 10 0 BCAERO CN(C(=O)C[C@H]1CCC[NH2+]C1)[C@@H]1CCOC1 ZINC000134690527 343195044 /nfs/dbraw/zinc/19/50/44/343195044.db2.gz OIKYDQHONJVAGC-GHMZBOCLSA-N 1 0 226.320 0.623 10 0 BCAERO Cc1n[nH]c(C)c1C(=O)N[C@@H]1CC[NH2+]C1 ZINC000036286681 187249814 /nfs/dbraw/zinc/24/98/14/187249814.db2.gz VOZURSMYAVURKP-MRVPVSSYSA-N 1 0 208.265 0.118 10 0 BCAERO CC(C)N(CCO)C(=O)[C@H]1CCCC[NH2+]1 ZINC000036136044 187249893 /nfs/dbraw/zinc/24/98/93/187249893.db2.gz PKZIKNCHOOMWIV-SNVBAGLBSA-N 1 0 214.309 0.358 10 0 BCAERO CO[C@@H]1CN(C[C@@H]2CC[C@H](C)O2)[C@](C)(C[NH3+])C1 ZINC000634688461 343247584 /nfs/dbraw/zinc/24/75/84/343247584.db2.gz TVNBTLUWCQSGKE-CYDGBPFRSA-N 1 0 242.363 0.992 10 0 BCAERO [NH3+][C@H]1COC[C@@H]1C(=O)Cc1cccnc1 ZINC000226611152 343262142 /nfs/dbraw/zinc/26/21/42/343262142.db2.gz VLRRYMVHFMMUIF-UWVGGRQHSA-N 1 0 206.245 0.167 10 0 BCAERO CC[C@H]([NH3+])C(=O)NC[C@@H]1CCCC[C@H]1O ZINC000084202238 136290767 /nfs/dbraw/zinc/29/07/67/136290767.db2.gz RSVMWWOKRSNQSY-LPEHRKFASA-N 1 0 214.309 0.391 10 0 BCAERO COC[C@H]([NH3+])CNC(=O)OC(C)(C)C ZINC000034876206 343279464 /nfs/dbraw/zinc/27/94/64/343279464.db2.gz KTJZGFSYVWTNHA-SSDOTTSWSA-N 1 0 204.270 0.485 10 0 BCAERO CC[NH+](CC)CCNCc1csnn1 ZINC000036901918 343327172 /nfs/dbraw/zinc/32/71/72/343327172.db2.gz OOJKUZJDHFZZBN-UHFFFAOYSA-N 1 0 214.338 0.970 10 0 BCAERO CC[C@@H](C(N)=S)[N@@H+]1CC[C@@](C)(O)C1 ZINC000234060659 343297638 /nfs/dbraw/zinc/29/76/38/343297638.db2.gz BMMZIAKBYQKTPC-IONNQARKSA-N 1 0 202.323 0.508 10 0 BCAERO CC(C)(C)OC(=O)N[C@H](CO)[C@@H]1CC[NH2+]C1 ZINC000022016091 187253816 /nfs/dbraw/zinc/25/38/16/187253816.db2.gz RUIASJBMHNWWMB-RKDXNWHRSA-N 1 0 230.308 0.482 10 0 BCAERO [NH3+][C@@H]1CCCC[C@@H]1NC(=O)C1CCOCC1 ZINC000038048640 343367642 /nfs/dbraw/zinc/36/76/42/343367642.db2.gz DFWUNJLYEKKHOO-MNOVXSKESA-N 1 0 226.320 0.799 10 0 BCAERO Cc1ccsc1C(=O)N(C)[C@@H]1C[NH2+]C[C@H]1O ZINC000036261431 187258697 /nfs/dbraw/zinc/25/86/97/187258697.db2.gz MUYOPQHXOOTNLN-RKDXNWHRSA-N 1 0 240.328 0.461 10 0 BCAERO [NH3+][C@@H](C(=O)N(CCO)C1CC1)c1ccccc1 ZINC000036136855 187258938 /nfs/dbraw/zinc/25/89/38/187258938.db2.gz AHZIMASZLBLTMP-GFCCVEGCSA-N 1 0 234.299 0.670 10 0 BCAERO CC(C)C[C@@H]([NH3+])C(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000036998915 187259607 /nfs/dbraw/zinc/25/96/07/187259607.db2.gz FZALYKBJTVYQSS-GMTAPVOTSA-N 1 0 228.336 0.996 10 0 BCAERO CCOc1nc(SC(N)=[NH2+])ncc1F ZINC000039100189 343383565 /nfs/dbraw/zinc/38/35/65/343383565.db2.gz TWRUDSZFXQETDJ-UHFFFAOYSA-N 1 0 216.241 1.000 10 0 BCAERO C[NH+](C)[C@@H]1CC2(CC[C@@H]1O)OCCO2 ZINC000039384585 343389635 /nfs/dbraw/zinc/38/96/35/343389635.db2.gz MRKPRQYFNJZHPM-BDAKNGLRSA-N 1 0 201.266 0.205 10 0 BCAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Cc1cc[nH]n1 ZINC000247249628 343402017 /nfs/dbraw/zinc/40/20/17/343402017.db2.gz YTTCXLVJXXIOPM-JQWIXIFHSA-N 1 0 248.330 0.647 10 0 BCAERO C[C@@H]([NH3+])C(=O)N1CC(F)(F)C(F)(F)C1 ZINC000038867337 343407983 /nfs/dbraw/zinc/40/79/83/343407983.db2.gz VLHCODZJFPRYCX-SCSAIBSYSA-N 1 0 214.162 0.446 10 0 BCAERO CC(C)C[C@@H]([NH3+])C(=O)N1CCCC[C@H]1C(N)=O ZINC000037799451 187261038 /nfs/dbraw/zinc/26/10/38/187261038.db2.gz CUOXMXOQGNHEIW-ZJUUUORDSA-N 1 0 241.335 0.226 10 0 BCAERO C([C@@H]1CCCO1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000082462936 343440237 /nfs/dbraw/zinc/44/02/37/343440237.db2.gz LZRAAQYLLHRKRS-NEPJUHHUSA-N 1 0 210.321 0.945 10 0 BCAERO C[NH2+][C@H](C)C(=O)NCCc1cscn1 ZINC000082626718 343457236 /nfs/dbraw/zinc/45/72/36/343457236.db2.gz SYEUQGYBNWYBBQ-SSDOTTSWSA-N 1 0 213.306 0.410 10 0 BCAERO CC1(C)CN(C(=O)[C@H]2CCCO2)CC[C@H]1[NH3+] ZINC000258994862 136374253 /nfs/dbraw/zinc/37/42/53/136374253.db2.gz BPNZVVGPKSUDTA-NXEZZACHSA-N 1 0 226.320 0.751 10 0 BCAERO Nc1n[nH]c(SC[C@@H]2CCCC[NH2+]2)n1 ZINC000043495507 343475785 /nfs/dbraw/zinc/47/57/85/343475785.db2.gz TZCVTCQLUZQSPJ-LURJTMIESA-N 1 0 213.310 0.621 10 0 BCAERO CO[C@@H](C)c1nc(=NCC[C@H](C)[NH3+])s[n-]1 ZINC000379939172 365754444 /nfs/dbraw/zinc/75/44/44/365754444.db2.gz YLDHTGAUIFCARA-BQBZGAKWSA-N 1 0 230.337 0.817 10 0 BCAERO C[C@H]1CN2CCCC[C@@H]2C[N@@H+]1CCCO ZINC000082725345 343461327 /nfs/dbraw/zinc/46/13/27/343461327.db2.gz LHNKNYITSCLDGW-NWDGAFQWSA-N 1 0 212.337 0.927 10 0 BCAERO C[C@H]1CN(C(=O)C2CC[NH2+]CC2)CCS1 ZINC000083934547 343510406 /nfs/dbraw/zinc/51/04/06/343510406.db2.gz DHSMRKXJEPENGM-VIFPVBQESA-N 1 0 228.361 0.950 10 0 BCAERO CC1(C)C(=O)N(C(=O)C2CC2)[C@H]2CC[NH2+][C@@H]21 ZINC000039114708 187263259 /nfs/dbraw/zinc/26/32/59/187263259.db2.gz ABMUNJAQVVCXIB-IUCAKERBSA-N 1 0 222.288 0.522 10 0 BCAERO CC(C)(C)OC(=O)N1CCO[C@H]([NH3+])CC1 ZINC000616664939 343533220 /nfs/dbraw/zinc/53/32/20/343533220.db2.gz XPKQNVXUIKXQDJ-QMMMGPOBSA-N 1 0 216.281 0.929 10 0 BCAERO COC[C@@H]([NH2+]C[C@H]1CNC(=O)O1)C(C)C ZINC000379950958 365761821 /nfs/dbraw/zinc/76/18/21/365761821.db2.gz SYJFTVYJCSDOLI-DTWKUNHWSA-N 1 0 216.281 0.355 10 0 BCAERO N[C@H](C[NH3+])c1cccc(Br)n1 ZINC000044470827 343502139 /nfs/dbraw/zinc/50/21/39/343502139.db2.gz UDYJAZCQDFTWMJ-RXMQYKEDSA-N 1 0 216.082 0.803 10 0 BCAERO Cn1ccnc1CC[NH2+]C1CCS(=O)CC1 ZINC000042354136 187266162 /nfs/dbraw/zinc/26/61/62/187266162.db2.gz YQAWFLYGDLHSCZ-UHFFFAOYSA-N 1 0 241.360 0.463 10 0 BCAERO COC(=O)[C@@H](C)C[N@H+](C)C[C@@H]1CCCN1C ZINC000086189081 343614113 /nfs/dbraw/zinc/61/41/13/343614113.db2.gz AYUJGIHIEZQUNE-QWRGUYRKSA-N 1 0 228.336 0.822 10 0 BCAERO C[C@H](C(N)=S)[N@@H+]1CC[C@@H](C)[C@H](O)C1 ZINC000299921102 343638777 /nfs/dbraw/zinc/63/87/77/343638777.db2.gz ZAKIRNORSGTKLF-BWZBUEFSSA-N 1 0 202.323 0.364 10 0 BCAERO CC[C@H]([NH3+])C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000052009857 343630926 /nfs/dbraw/zinc/63/09/26/343630926.db2.gz KVKQWQUWOJTANA-YIZRAAEISA-N 1 0 200.282 0.143 10 0 BCAERO C[C@@H]1CN2C(=[NH+]CC[C@@H]2[C@H]2CCCO2)N1 ZINC000300017711 537802046 /nfs/dbraw/zinc/80/20/46/537802046.db2.gz RPWTVCLSCHMCGE-OPRDCNLKSA-N 1 0 209.293 0.587 10 0 BCAERO COC[C@@H]([NH3+])C(=O)Nc1cccc(O)c1 ZINC000088003593 343689979 /nfs/dbraw/zinc/68/99/79/343689979.db2.gz XWAMXGKLJRMOAR-SECBINFHSA-N 1 0 210.233 0.304 10 0 BCAERO O=C1NCCC[C@@H]1[NH2+]C[C@@H]1CCCOC1 ZINC000082584661 133502908 /nfs/dbraw/zinc/50/29/08/133502908.db2.gz QHFYZLLOXCAFCH-UWVGGRQHSA-N 1 0 212.293 0.281 10 0 BCAERO CCS(=O)(=O)c1ccc(C#N)cc1C[NH3+] ZINC000380164200 343685265 /nfs/dbraw/zinc/68/52/65/343685265.db2.gz CCPRQLUXRKXTED-UHFFFAOYSA-N 1 0 224.285 0.811 10 0 BCAERO COC[C@H]([NH3+])C(=O)NCC1(C)CCCC1 ZINC000088004390 343687890 /nfs/dbraw/zinc/68/78/90/343687890.db2.gz FWEDXZHHBIOHBQ-VIFPVBQESA-N 1 0 214.309 0.657 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N[C@H]1CCCC1(C)C ZINC000088005016 343688377 /nfs/dbraw/zinc/68/83/77/343688377.db2.gz VKXKKSBRFYAQHC-BDAKNGLRSA-N 1 0 214.309 0.655 10 0 BCAERO COC[C@@H]([NH3+])C(=O)NCC1CCCCC1 ZINC000088002721 343689408 /nfs/dbraw/zinc/68/94/08/343689408.db2.gz PYARZPVHYYJRNE-SNVBAGLBSA-N 1 0 214.309 0.657 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N(C)c1ccccc1 ZINC000088002183 343689556 /nfs/dbraw/zinc/68/95/56/343689556.db2.gz AMYBUDBPYNXLDC-SNVBAGLBSA-N 1 0 208.261 0.623 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N(C)Cc1ccco1 ZINC000088002812 343689677 /nfs/dbraw/zinc/68/96/77/343689677.db2.gz ROOJJWVEQZKQOG-SECBINFHSA-N 1 0 212.249 0.212 10 0 BCAERO C[NH2+]Cc1cc(CN2CCOC[C@@H]2C)on1 ZINC000052475870 187271267 /nfs/dbraw/zinc/27/12/67/187271267.db2.gz DADJOIQBXGOIOC-VIFPVBQESA-N 1 0 225.292 0.615 10 0 BCAERO CN(C)Nc1nc[nH+]c(NN)c1Br ZINC000234250090 343747182 /nfs/dbraw/zinc/74/71/82/343747182.db2.gz SOWKLIMCZREQTM-UHFFFAOYSA-N 1 0 247.100 0.413 10 0 BCAERO COC(=O)[C@H](C1CC1)N1CC[C@H]([NH+](C)C)C1 ZINC000084094825 343750349 /nfs/dbraw/zinc/75/03/49/343750349.db2.gz RVNXDONIYIIZPU-QWRGUYRKSA-N 1 0 226.320 0.574 10 0 BCAERO C[C@@H](NC[C@H]1CCCC[N@@H+]1C)c1nncn1C ZINC000054241565 187272386 /nfs/dbraw/zinc/27/23/86/187272386.db2.gz PNJHVGPFFDBZJR-GHMZBOCLSA-N 1 0 237.351 0.950 10 0 BCAERO CC(C)C[C@@]1(C[NH3+])CCS(=O)(=O)C1 ZINC000054634893 187272442 /nfs/dbraw/zinc/27/24/42/187272442.db2.gz KCNLEVFHONQHFQ-SECBINFHSA-N 1 0 205.323 0.796 10 0 BCAERO CC(C)(CO)c1nc(C2CC[NH2+]CC2)no1 ZINC000062253212 187273379 /nfs/dbraw/zinc/27/33/79/187273379.db2.gz XXDOQQXXNHXUGI-UHFFFAOYSA-N 1 0 225.292 0.807 10 0 BCAERO [NH3+][C@H](CO)c1ccncc1Br ZINC000215481568 346978182 /nfs/dbraw/zinc/97/81/82/346978182.db2.gz YZPAIVRGYIBAIU-SSDOTTSWSA-N 1 0 217.066 0.836 10 0 BCAERO C[C@@H]1COC[C@H](C)N1C(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000262651010 349861390 /nfs/dbraw/zinc/86/13/90/349861390.db2.gz XAMBDRNGOBQTBL-ZRUFSTJUSA-N 1 0 226.320 0.750 10 0 BCAERO CC(C)(C)C(=[NH2+])N[C@H]1CCS(=O)(=O)C1 ZINC000062988980 349869114 /nfs/dbraw/zinc/86/91/14/349869114.db2.gz GLNCUQLIWMLQAT-ZETCQYMHSA-N 1 0 218.322 0.786 10 0 BCAERO CCOC(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000062983714 187274298 /nfs/dbraw/zinc/27/42/98/187274298.db2.gz PRNZJRWYHKJEAB-SNVBAGLBSA-N 1 0 240.303 0.246 10 0 BCAERO CN(CC[NH+](C)C)C(=O)c1ccc(N)c(N)c1 ZINC000021982421 343844345 /nfs/dbraw/zinc/84/43/45/343844345.db2.gz JIWWLBLSFDJSKR-UHFFFAOYSA-N 1 0 236.319 0.485 10 0 BCAERO COC(C)(C)C(=O)N[C@]1(C)CC[NH2+]C1 ZINC000230730863 346999960 /nfs/dbraw/zinc/99/99/60/346999960.db2.gz LYDULEMTIOTUNL-SNVBAGLBSA-N 1 0 200.282 0.280 10 0 BCAERO COC(=O)CCCNC(=O)[C@H]1CCC[C@@H]1[NH3+] ZINC000082921297 133508461 /nfs/dbraw/zinc/50/84/61/133508461.db2.gz WURFLDZQCDOFEN-IUCAKERBSA-N 1 0 228.292 0.183 10 0 BCAERO O=C(C[C@@H]1CCC[NH2+]C1)N[C@@H]1CCC[C@H](O)C1 ZINC000054306301 488244263 /nfs/dbraw/zinc/24/42/63/488244263.db2.gz JQLJCTNNMDKNIM-TUAOUCFPSA-N 1 0 240.347 0.796 10 0 BCAERO CC[N@@H+]1C[C@@H](C)N(C(=O)C2C[NH2+]C2)C[C@H]1C ZINC000335894933 344045353 /nfs/dbraw/zinc/04/53/53/344045353.db2.gz DZGFTYVZMJAFKM-NXEZZACHSA-N 1 0 225.336 0.147 10 0 BCAERO C[C@H](O)CNC(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000070502746 343951800 /nfs/dbraw/zinc/95/18/00/343951800.db2.gz FMKONZZTEJTSQB-YIZRAAEISA-N 1 0 200.282 0.001 10 0 BCAERO C[NH+](C)C(C)(C)CN1C(=S)N=NC1N ZINC000070883514 343956872 /nfs/dbraw/zinc/95/68/72/343956872.db2.gz QQVAVLGAQNEGOT-UHFFFAOYSA-N 1 0 215.326 0.489 10 0 BCAERO C[N@@H+]1CC[C@H](CN2C(=S)N=NC2N)C1 ZINC000070881770 343956979 /nfs/dbraw/zinc/95/69/79/343956979.db2.gz KJEJESCIAWGJOZ-LURJTMIESA-N 1 0 213.310 0.101 10 0 BCAERO [NH3+][C@@H]1CCCC[C@@H]1NS(=O)(=O)C1CC1 ZINC000070910084 343957544 /nfs/dbraw/zinc/95/75/44/343957544.db2.gz FPHVGVMTILUUAC-BDAKNGLRSA-N 1 0 218.322 0.338 10 0 BCAERO CC(C)CC[C@@H](O)Cn1cc(C[NH3+])nn1 ZINC000641228413 362281646 /nfs/dbraw/zinc/28/16/46/362281646.db2.gz JMQNBBBDVFLEMB-SNVBAGLBSA-N 1 0 212.297 0.534 10 0 BCAERO CC[C@H](C)C[N@@H+]1C[C@H](C)O[C@H](C(N)=O)C1 ZINC000625738914 344053975 /nfs/dbraw/zinc/05/39/75/344053975.db2.gz FNAQTFNCCZQKAX-GUBZILKMSA-N 1 0 214.309 0.607 10 0 BCAERO OCCN1CCC[C@H]([NH2+]Cc2ccncc2)C1 ZINC000395087114 344064790 /nfs/dbraw/zinc/06/47/90/344064790.db2.gz YLWYNRFIRDNMBD-ZDUSSCGKSA-N 1 0 235.331 0.628 10 0 BCAERO CS(=O)(=O)N1CCCC[C@H](C[NH3+])C1 ZINC000216221232 344091559 /nfs/dbraw/zinc/09/15/59/344091559.db2.gz YATVOIFIMNKSOS-MRVPVSSYSA-N 1 0 206.311 0.007 10 0 BCAERO Cc1ccc(C[NH2+][C@@H]2CCS(=O)(=O)C2)cn1 ZINC000062052037 178625684 /nfs/dbraw/zinc/62/56/84/178625684.db2.gz YFOJNNAWEYMRPL-LLVKDONJSA-N 1 0 240.328 0.667 10 0 BCAERO C[C@@H](C(N)=S)[N@@H+]1CCC[C@@](C)(O)C1 ZINC000157434703 344102370 /nfs/dbraw/zinc/10/23/70/344102370.db2.gz WKGOHNSRFHXBRZ-IONNQARKSA-N 1 0 202.323 0.508 10 0 BCAERO COC[C@@H](C)NC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634736751 344128576 /nfs/dbraw/zinc/12/85/76/344128576.db2.gz YRBRBQTZJMOLCX-SCVCMEIPSA-N 1 0 226.320 0.527 10 0 BCAERO COCCN(C)C(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634737011 344134522 /nfs/dbraw/zinc/13/45/22/344134522.db2.gz GPHBDPYTXLUEMS-JQWIXIFHSA-N 1 0 226.320 0.481 10 0 BCAERO O=C1C=C(N2CCC3(C2)CC[NH2+]CC3)CO1 ZINC000216640152 344151444 /nfs/dbraw/zinc/15/14/44/344151444.db2.gz RKUNFYCEXRQBDJ-UHFFFAOYSA-N 1 0 222.288 0.503 10 0 BCAERO C[C@@H](CCCO)NC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634755042 344211244 /nfs/dbraw/zinc/21/12/44/344211244.db2.gz PSYNNDIGCBCBNX-GVXVVHGQSA-N 1 0 240.347 0.653 10 0 BCAERO CC(C)NC(=O)N1C[C@@H](C)[C@H]([NH+](C)C)C1 ZINC000130381762 344220912 /nfs/dbraw/zinc/22/09/12/344220912.db2.gz RXPNRTCZRAGMID-NXEZZACHSA-N 1 0 213.325 0.986 10 0 BCAERO C=CC(=O)N1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000616571301 344179951 /nfs/dbraw/zinc/17/99/51/344179951.db2.gz KJQQGHBKCVJBMG-RQJHMYQMSA-N 1 0 222.210 0.911 10 0 BCAERO CCC[NH2+][C@H](C)c1cn(CC(=O)OCC)nn1 ZINC000616571404 344180855 /nfs/dbraw/zinc/18/08/55/344180855.db2.gz XBBWBXPJVKNAPS-SECBINFHSA-N 1 0 240.307 0.902 10 0 BCAERO COC(=O)/C=C/C(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000616573347 344186524 /nfs/dbraw/zinc/18/65/24/344186524.db2.gz XUGVRYJRZHTFIM-CFUOYWMPSA-N 1 0 238.287 0.069 10 0 BCAERO COC(=O)CCNC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000084310221 344190767 /nfs/dbraw/zinc/19/07/67/344190767.db2.gz OAJXOINQVYYMTK-BDAKNGLRSA-N 1 0 228.292 0.041 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)NCC2CC[NH2+]CC2)O1 ZINC000088140822 344238020 /nfs/dbraw/zinc/23/80/20/344238020.db2.gz VGQMOUHNRLOHLI-MWLCHTKSSA-N 1 0 226.320 0.670 10 0 BCAERO Cn1ccc(CN2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)n1 ZINC000309347454 347039450 /nfs/dbraw/zinc/03/94/50/347039450.db2.gz MLPDPXHITFJLIP-MVWJERBFSA-N 1 0 220.320 0.589 10 0 BCAERO CCc1ccccc1C(=O)NC1C[NH2+]C1 ZINC000162052655 133517512 /nfs/dbraw/zinc/51/75/12/133517512.db2.gz OHUCGWGFQSKQPZ-UHFFFAOYSA-N 1 0 204.273 0.951 10 0 BCAERO C[C@H](NC(=O)[C@]12CCC[C@H]1C[NH2+]C2)c1cn[nH]c1 ZINC000634771384 344285446 /nfs/dbraw/zinc/28/54/46/344285446.db2.gz SNRDMIBARVJMQE-GAFUQQFSSA-N 1 0 248.330 0.977 10 0 BCAERO C[C@H]1[NH2+]CCC[C@@H]1C(=O)N1C[C@@H]2COC[C@@H]2C1 ZINC000634773596 344292073 /nfs/dbraw/zinc/29/20/73/344292073.db2.gz JMBBUTRMRZIRKU-WYUUTHIRSA-N 1 0 238.331 0.479 10 0 BCAERO CCN(C)C(=O)[C@H](C)NC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000300018493 344365016 /nfs/dbraw/zinc/36/50/16/344365016.db2.gz KKWOZHKPUYVUCD-GUBZILKMSA-N 1 0 241.335 0.097 10 0 BCAERO CCN1C(=O)N[C@](C)([C@@H]2CCC[NH2+]C2)C1=O ZINC000095218393 344334328 /nfs/dbraw/zinc/33/43/28/344334328.db2.gz YTIDCJLGUMDVAB-LDYMZIIASA-N 1 0 225.292 0.316 10 0 BCAERO Cn1nnc(Br)c1[C@]1(F)CC[NH2+]C1 ZINC000236144038 344301029 /nfs/dbraw/zinc/30/10/29/344301029.db2.gz VGPSUHODTWCAFS-ZETCQYMHSA-N 1 0 249.087 0.736 10 0 BCAERO OCC[N@@H+]1CCCO[C@@H](Nc2ccccn2)C1 ZINC000616597348 344423914 /nfs/dbraw/zinc/42/39/14/344423914.db2.gz DLOQEWZABJCNEG-GFCCVEGCSA-N 1 0 237.303 0.534 10 0 BCAERO C[C@@H](C[NH2+]C[C@H](O)C(C)(C)C)N(C)C ZINC000388720389 347048941 /nfs/dbraw/zinc/04/89/41/347048941.db2.gz VLOPIUAVUVZQHO-UWVGGRQHSA-N 1 0 202.342 0.933 10 0 BCAERO CC[C@@H]1C[NH2+]CCN1C(=O)c1cccc(OC)n1 ZINC000217850186 344374625 /nfs/dbraw/zinc/37/46/25/344374625.db2.gz RLBLARZPXJQBPA-SNVBAGLBSA-N 1 0 249.314 0.914 10 0 BCAERO COc1cc(N2C[C@@H]([NH3+])C[C@@H]2C)ncn1 ZINC000385213413 344377318 /nfs/dbraw/zinc/37/73/18/344377318.db2.gz YEDHTDVSFWKABW-YUMQZZPRSA-N 1 0 208.265 0.411 10 0 BCAERO CO[C@H]1CN(C(=O)CSC)[C@@](C)(C[NH3+])C1 ZINC000600886950 344386204 /nfs/dbraw/zinc/38/62/04/344386204.db2.gz UVYWWHQNDOSLBK-PSASIEDQSA-N 1 0 232.349 0.314 10 0 BCAERO CO[C@@H]1CN(C(=O)CSC)[C@](C)(C[NH3+])C1 ZINC000600886956 344386386 /nfs/dbraw/zinc/38/63/86/344386386.db2.gz UVYWWHQNDOSLBK-WPRPVWTQSA-N 1 0 232.349 0.314 10 0 BCAERO CO[C@H]1CN(C(=O)CCSC)[C@](C)(C[NH3+])C1 ZINC000600885119 344388298 /nfs/dbraw/zinc/38/82/98/344388298.db2.gz KWZSCUKNHYGZLS-KOLCDFICSA-N 1 0 246.376 0.704 10 0 BCAERO C[NH2+][C@@H](C)CNc1ncnc2c1ncn2C ZINC000634810260 344394998 /nfs/dbraw/zinc/39/49/98/344394998.db2.gz RDFBKYAQNGLGGJ-ZETCQYMHSA-N 1 0 220.280 0.383 10 0 BCAERO NC(=[NH2+])NC(N)=NOCc1ccccc1 ZINC000143417784 344407097 /nfs/dbraw/zinc/40/70/97/344407097.db2.gz TXPXGBXSZSJKLU-UHFFFAOYSA-N 1 0 207.237 0.126 10 0 BCAERO Cc1nccnc1N1CC[NH2+]C(C)(C)C1 ZINC000214550841 344509443 /nfs/dbraw/zinc/50/94/43/344509443.db2.gz UGKVSXPGUDNQLF-UHFFFAOYSA-N 1 0 206.293 0.973 10 0 BCAERO [NH3+]C1CN(C(=O)NCc2ccccc2)C1 ZINC000166062570 344468143 /nfs/dbraw/zinc/46/81/43/344468143.db2.gz UCHQKVRVRGXZEK-UHFFFAOYSA-N 1 0 205.261 0.539 10 0 BCAERO CSCCNC(=O)C1CCC([NH3+])CC1 ZINC000069013608 344536778 /nfs/dbraw/zinc/53/67/78/344536778.db2.gz ROBUAOQTPWSZLN-UHFFFAOYSA-N 1 0 216.350 0.983 10 0 BCAERO CSCCNC(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000069013674 344537310 /nfs/dbraw/zinc/53/73/10/344537310.db2.gz IJBGCKHEQPYMIN-DTWKUNHWSA-N 1 0 216.350 0.983 10 0 BCAERO OC[C@@H]1CN(c2ccncc2F)CCO1 ZINC000641421274 362406354 /nfs/dbraw/zinc/40/63/54/362406354.db2.gz MULRSFZRLNCYDU-QMMMGPOBSA-N 1 0 212.224 0.418 10 0 BCAERO COC(=O)CCCNC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054308764 344540143 /nfs/dbraw/zinc/54/01/43/344540143.db2.gz YBVRHUFMPRHKLS-JTQLQIEISA-N 1 0 242.319 0.446 10 0 BCAERO C[C@@H](C[NH3+])C(=O)N[C@@H]1CCCSC1 ZINC000220735986 344576494 /nfs/dbraw/zinc/57/64/94/344576494.db2.gz IOFZTGZAVATAJX-JGVFFNPUSA-N 1 0 202.323 0.593 10 0 BCAERO CCCCN(CC(N)=O)C(=O)[C@@H]([NH3+])CCC ZINC000037812850 344591442 /nfs/dbraw/zinc/59/14/42/344591442.db2.gz DLWATULIMGCBLQ-VIFPVBQESA-N 1 0 229.324 0.228 10 0 BCAERO CCCCN(CC(N)=O)C(=O)[C@H]([NH3+])CCC ZINC000037812849 344591589 /nfs/dbraw/zinc/59/15/89/344591589.db2.gz DLWATULIMGCBLQ-SECBINFHSA-N 1 0 229.324 0.228 10 0 BCAERO OCC[N@@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000152494652 344581374 /nfs/dbraw/zinc/58/13/74/344581374.db2.gz LZRGUAYJXJTWJC-LLVKDONJSA-N 1 0 208.261 0.527 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N[C@@H](C)CN1CCCC1=O ZINC000037769291 344585560 /nfs/dbraw/zinc/58/55/60/344585560.db2.gz IYICGZAXNDFLAU-UWVGGRQHSA-N 1 0 241.335 0.241 10 0 BCAERO COC(=O)CN1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000050033561 344614018 /nfs/dbraw/zinc/61/40/18/344614018.db2.gz HXOUSBAUWVRBBE-SNVBAGLBSA-N 1 0 212.293 0.330 10 0 BCAERO C[N@H+](C1CCC1)[C@H]1CC[C@](N)(C(N)=O)C1 ZINC000127788719 344652024 /nfs/dbraw/zinc/65/20/24/344652024.db2.gz WDAAGDDLRPINJM-GXSJLCMTSA-N 1 0 211.309 0.206 10 0 BCAERO CNC(=O)[C@H](C)O[C@H]1CC[C@H](C)[NH2+]C1 ZINC000050211698 344657309 /nfs/dbraw/zinc/65/73/09/344657309.db2.gz YYVLBLMVRUQQCV-CIUDSAMLSA-N 1 0 200.282 0.278 10 0 BCAERO [NH3+]C1CC(C2CCS(=O)(=O)CC2)C1 ZINC000216292552 344660498 /nfs/dbraw/zinc/66/04/98/344660498.db2.gz RMQOVZDBLLSFAR-UHFFFAOYSA-N 1 0 203.307 0.549 10 0 BCAERO CCCCOC[C@@H](O)C[N@@H+]1C[C@@H](O)C(C)(C)C1 ZINC000387752951 347065494 /nfs/dbraw/zinc/06/54/94/347065494.db2.gz BLISIMJFSZOIDJ-NWDGAFQWSA-N 1 0 245.363 0.867 10 0 BCAERO CC(C)[N@H+](CCCO)C[C@]1(C[NH3+])CCCOC1 ZINC000104315955 187292224 /nfs/dbraw/zinc/29/22/24/187292224.db2.gz BZNWEQGRUMVHEV-CYBMUJFWSA-N 1 0 244.379 0.835 10 0 BCAERO COC(=O)[C@@H]1CCC[N@@H+]1[C@@H]1CCC[C@@H]1O ZINC000050048403 344622262 /nfs/dbraw/zinc/62/22/62/344622262.db2.gz IIIZSERXKADEHF-UTLUCORTSA-N 1 0 213.277 0.537 10 0 BCAERO CC(C)[C@H]([NH3+])C(=O)N(C)C[C@H]1CCCO1 ZINC000042465685 187292050 /nfs/dbraw/zinc/29/20/50/187292050.db2.gz UQQOUNMRNNYFFB-ZJUUUORDSA-N 1 0 214.309 0.607 10 0 BCAERO Cc1ccc(N(C)[C@H]2CCC[NH2+]C2)nn1 ZINC000082499982 178700250 /nfs/dbraw/zinc/70/02/50/178700250.db2.gz HUSMLNXYVBIQOZ-JTQLQIEISA-N 1 0 206.293 0.973 10 0 BCAERO C[C@@H](C[N@H+](CCO)Cc1ccccc1)C(N)=O ZINC000050515350 344704304 /nfs/dbraw/zinc/70/43/04/344704304.db2.gz QFHFDBMYKJYQFM-NSHDSACASA-N 1 0 236.315 0.602 10 0 BCAERO COC(=O)CC[NH2+]CCNC(=O)OC(C)(C)C ZINC000118176346 344779552 /nfs/dbraw/zinc/77/95/52/344779552.db2.gz ABXAVZNGKMUOKD-UHFFFAOYSA-N 1 0 246.307 0.664 10 0 BCAERO CSc1cc(N(C)C2C[NH2+]C2)ncn1 ZINC000235090881 344782546 /nfs/dbraw/zinc/78/25/46/344782546.db2.gz NMLVINZFQZXSER-UHFFFAOYSA-N 1 0 210.306 0.607 10 0 BCAERO CC(C)N(C)C(=O)C1(C[NH3+])CCOCC1 ZINC000044761598 187292655 /nfs/dbraw/zinc/29/26/55/187292655.db2.gz HCSYVHXTWBHVQN-UHFFFAOYSA-N 1 0 214.309 0.609 10 0 BCAERO C[C@H]1C[C@@]2(CCO1)[NH2+]CCc1nc[nH]c12 ZINC000400553220 537858811 /nfs/dbraw/zinc/85/88/11/537858811.db2.gz JUIMNIJTSPBBLW-GZMMTYOYSA-N 1 0 207.277 0.950 10 0 BCAERO CN(C(=O)C(F)(F)F)[C@H]1CCC[NH2+]C1 ZINC000062810307 347081995 /nfs/dbraw/zinc/08/19/95/347081995.db2.gz GHSCFTWYIOXYNV-LURJTMIESA-N 1 0 210.199 0.759 10 0 BCAERO COC(=O)c1ccc(N2C[C@H]([NH3+])C[C@@H]2C)nn1 ZINC000600962628 344817559 /nfs/dbraw/zinc/81/75/59/344817559.db2.gz HOEDMNHRAADMRL-JGVFFNPUSA-N 1 0 236.275 0.189 10 0 BCAERO CSc1cc(N2CC[C@@H]([NH3+])C2)ncn1 ZINC000235110832 344800799 /nfs/dbraw/zinc/80/07/99/344800799.db2.gz BOYNTBVWGIFBKY-SSDOTTSWSA-N 1 0 210.306 0.736 10 0 BCAERO CC(C)S(=O)(=O)N1CCC2(C[NH2+]C2)C1 ZINC000675053295 537865089 /nfs/dbraw/zinc/86/50/89/537865089.db2.gz HJIBDZWEDTXABU-UHFFFAOYSA-N 1 0 218.322 0.020 10 0 BCAERO Cn1cc([C@H](N)C(N)=O)c(C(C)(C)C)n1 ZINC000135654390 344837954 /nfs/dbraw/zinc/83/79/54/344837954.db2.gz SZIWSRFBSADVNU-ZETCQYMHSA-N 1 0 210.281 0.203 10 0 BCAERO O=C(C[C@@H]1CC[NH2+]C1)Nc1cnns1 ZINC000166305288 344852053 /nfs/dbraw/zinc/85/20/53/344852053.db2.gz AYRWVMBZXHAUSI-LURJTMIESA-N 1 0 212.278 0.476 10 0 BCAERO C[C@@H]([NH3+])[C@H](C)C(=O)Nc1cnns1 ZINC000166316573 344854319 /nfs/dbraw/zinc/85/43/19/344854319.db2.gz PWJLVXYFMWJOGP-CRCLSJGQSA-N 1 0 200.267 0.460 10 0 BCAERO C[C@@]1(C(=O)Nc2nnns2)CCC[NH2+]1 ZINC000166348146 344870014 /nfs/dbraw/zinc/87/00/14/344870014.db2.gz MWZYSXUOPVFYGA-ZETCQYMHSA-N 1 0 213.266 0.014 10 0 BCAERO C[C@@H]1C[N@H+](C)CC[C@@H]1NC(=O)C(F)F ZINC000235336166 344887463 /nfs/dbraw/zinc/88/74/63/344887463.db2.gz XSUCTVVBTQGYLZ-RQJHMYQMSA-N 1 0 206.236 0.708 10 0 BCAERO CC(C)N(C)S(=O)(=O)C[C@@H]1CCCC[NH2+]1 ZINC000049630580 187293973 /nfs/dbraw/zinc/29/39/73/187293973.db2.gz FDEXSPXVUSPNJK-JTQLQIEISA-N 1 0 234.365 0.799 10 0 BCAERO Cn1ccs/c1=N\C(=O)C1CC[NH2+]CC1 ZINC000237918838 187296032 /nfs/dbraw/zinc/29/60/32/187296032.db2.gz OYYYLAWDQOZYKK-BENRWUELSA-N 1 0 225.317 0.514 10 0 BCAERO COC(=O)[C@H]([NH3+])CCn1cc(Cl)c(C)n1 ZINC000070704337 537880142 /nfs/dbraw/zinc/88/01/42/537880142.db2.gz YBUDTZPPVVJGEV-MRVPVSSYSA-N 1 0 231.683 0.735 10 0 BCAERO CC(C)(O)C[N@@H+]1CCC[C@@H](CO)CC1 ZINC000306322728 187296164 /nfs/dbraw/zinc/29/61/64/187296164.db2.gz UNZKHVVDYZMEHX-SNVBAGLBSA-N 1 0 201.310 0.852 10 0 BCAERO C[NH2+][C@](C)(CCn1ccc(C)n1)C(N)=O ZINC000070686493 537877981 /nfs/dbraw/zinc/87/79/81/537877981.db2.gz SHMSVDGBGFQVEB-SNVBAGLBSA-N 1 0 210.281 0.045 10 0 BCAERO CCOC(=O)[C@@H]([NH3+])CCn1nccc1C ZINC000070686960 537878540 /nfs/dbraw/zinc/87/85/40/537878540.db2.gz JJXNIUMOTYGVED-VIFPVBQESA-N 1 0 211.265 0.472 10 0 BCAERO CC[NH2+][C@](C)(Cn1ccc(C)n1)C(N)=O ZINC000070686721 537879520 /nfs/dbraw/zinc/87/95/20/537879520.db2.gz DVLDHJIBPVYJLT-SNVBAGLBSA-N 1 0 210.281 0.045 10 0 BCAERO Cc1ccn(CCC[C@](C)([NH3+])C(N)=O)n1 ZINC000070686731 537879613 /nfs/dbraw/zinc/87/96/13/537879613.db2.gz UKQNLEPWKJMETB-JTQLQIEISA-N 1 0 210.281 0.174 10 0 BCAERO COC[C@H](C)C(=O)N(C)[C@H]1CCC[N@H+](C)C1 ZINC000153924294 345002687 /nfs/dbraw/zinc/00/26/87/345002687.db2.gz KKLIGIIJGIPWOU-QWRGUYRKSA-N 1 0 228.336 0.822 10 0 BCAERO OCCc1cccc([C@H]2C[NH2+]CCN2)c1 ZINC000044381518 345046612 /nfs/dbraw/zinc/04/66/12/345046612.db2.gz AHTDCOXMBSEQKR-GFCCVEGCSA-N 1 0 206.289 0.455 10 0 BCAERO CNC(=S)N[C@H]1CC[N@@H+](C(C)C)C1 ZINC000146026184 345029755 /nfs/dbraw/zinc/02/97/55/345029755.db2.gz NBCDVFWWVLJFGL-QMMMGPOBSA-N 1 0 201.339 0.563 10 0 BCAERO CNC(=S)N[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000225037450 345076454 /nfs/dbraw/zinc/07/64/54/345076454.db2.gz AMTRKTUUVHNCEK-JGVFFNPUSA-N 1 0 201.339 0.421 10 0 BCAERO Cc1ccc(S(=O)(=O)C2CC[NH2+]CC2)nc1 ZINC000095069009 178822574 /nfs/dbraw/zinc/82/25/74/178822574.db2.gz UCNBDXIXXXJWHP-UHFFFAOYSA-N 1 0 240.328 0.916 10 0 BCAERO N[C@@H](C[NH3+])c1ccc(Br)cn1 ZINC000044472876 345091007 /nfs/dbraw/zinc/09/10/07/345091007.db2.gz SIRDLECDOLOJBF-LURJTMIESA-N 1 0 216.082 0.803 10 0 BCAERO C1CN(c2nc3c(s2)COCC3)CC[NH2+]1 ZINC000044494166 345097471 /nfs/dbraw/zinc/09/74/71/345097471.db2.gz GSMRSKGRERMGJP-UHFFFAOYSA-N 1 0 225.317 0.625 10 0 BCAERO CN1C[C@@H](C[NH2+]Cc2ccon2)CC1=O ZINC000634986598 345166679 /nfs/dbraw/zinc/16/66/79/345166679.db2.gz ZIPQABRQPUCIFN-MRVPVSSYSA-N 1 0 209.249 0.243 10 0 BCAERO C[N@@H+]1CCC[C@@H]1CCSC[C@H](O)CO ZINC000126737294 345135655 /nfs/dbraw/zinc/13/56/55/345135655.db2.gz HSPAWQWIXMNESK-NXEZZACHSA-N 1 0 219.350 0.557 10 0 BCAERO CC1(C)C[C@@H]1NC(=O)[C@H]1CSCC[NH2+]1 ZINC000126879925 345144976 /nfs/dbraw/zinc/14/49/76/345144976.db2.gz DOBACQIOKLSQIB-SFYZADRCSA-N 1 0 214.334 0.606 10 0 BCAERO COc1cc(OC)nc(NC[C@H]([NH3+])C2CC2)n1 ZINC000158325993 345320701 /nfs/dbraw/zinc/32/07/01/345320701.db2.gz TYRZBPGOEDHYIU-QMMMGPOBSA-N 1 0 238.291 0.643 10 0 BCAERO [NH2+]=C1NC[C@H](c2ccc(Br)cn2)N1 ZINC000130230513 345270117 /nfs/dbraw/zinc/27/01/17/345270117.db2.gz IHZNHHAPESPWLP-SSDOTTSWSA-N 1 0 241.092 0.803 10 0 BCAERO C[C@@H](C[NH+](C)C)Nc1nc(N)ns1 ZINC000130759641 345282773 /nfs/dbraw/zinc/28/27/73/345282773.db2.gz CDTHMVKIXGKDOH-YFKPBYRVSA-N 1 0 201.299 0.482 10 0 BCAERO CCCCOC[C@H](O)C[NH2+][C@H]1CCO[C@H]1C ZINC000300229479 345287204 /nfs/dbraw/zinc/28/72/04/345287204.db2.gz WYWPVYBCDRYXEC-TUAOUCFPSA-N 1 0 231.336 0.931 10 0 BCAERO C[NH+](C)[C@H]1CCN(C(=O)COC(C)(C)C)C1 ZINC000158521339 345343859 /nfs/dbraw/zinc/34/38/59/345343859.db2.gz LNAODVRZBHCBFR-JTQLQIEISA-N 1 0 228.336 0.964 10 0 BCAERO CC[C@@](C)(O)C[N@@H+]1C[C@H](CO)OC(C)(C)C1 ZINC000158709765 345368687 /nfs/dbraw/zinc/36/86/87/345368687.db2.gz FIDZFFPOHLBJPV-ZYHUDNBSSA-N 1 0 231.336 0.619 10 0 BCAERO C[C@@H]([C@H]([NH3+])c1cccnc1)S(C)(=O)=O ZINC000228651183 345379653 /nfs/dbraw/zinc/37/96/53/345379653.db2.gz ZFVVROHEEVVPNN-CBAPKCEASA-N 1 0 214.290 0.515 10 0 BCAERO C[C@H](CNc1cc[nH+]c(N)n1)[S@](C)=O ZINC000228677877 345382935 /nfs/dbraw/zinc/38/29/35/345382935.db2.gz NKNCVUPGGAWIKL-RCNPXXIZSA-N 1 0 214.294 0.238 10 0 BCAERO CC(C)n1ncnc1C1=C[C@H](O)C[NH2+]C1 ZINC000675077940 537896248 /nfs/dbraw/zinc/89/62/48/537896248.db2.gz UEEPSWZZIIMVGW-VIFPVBQESA-N 1 0 208.265 0.207 10 0 BCAERO Cc1nnsc1C(=O)N1CCC[C@@H]1C[NH3+] ZINC000168854922 345404345 /nfs/dbraw/zinc/40/43/45/345404345.db2.gz RPSNLSYXYFJARI-SSDOTTSWSA-N 1 0 226.305 0.410 10 0 BCAERO CC(C)(C)ONC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000134512943 345414072 /nfs/dbraw/zinc/41/40/72/345414072.db2.gz XVEGCJDTCNITMR-HTQZYQBOSA-N 1 0 200.282 0.960 10 0 BCAERO C[C@H]1CN(c2cnn(C)c(=O)c2Cl)CC[NH2+]1 ZINC000159603191 345445908 /nfs/dbraw/zinc/44/59/08/345445908.db2.gz YJHZISBXFWDIPI-ZETCQYMHSA-N 1 0 242.710 0.232 10 0 BCAERO CN(C)Cc1ccc(S(N)(=O)=O)cc1F ZINC000133939918 345392122 /nfs/dbraw/zinc/39/21/22/345392122.db2.gz APBLWKNRMWYVSZ-UHFFFAOYSA-N 1 0 232.280 0.535 10 0 BCAERO CC[N@@H+]1CCC[C@@H](NS(=O)(=O)CC)C1 ZINC000070228051 345540297 /nfs/dbraw/zinc/54/02/97/345540297.db2.gz LBMSNZNLTXRRTD-SECBINFHSA-N 1 0 220.338 0.410 10 0 BCAERO CNC(=O)C1CC[NH+]([C@H](C)C(C)=O)CC1 ZINC000050877982 345575507 /nfs/dbraw/zinc/57/55/07/345575507.db2.gz AHLAXJKOVOGLLH-MRVPVSSYSA-N 1 0 212.293 0.422 10 0 BCAERO COC[C@H](O)C[NH2+][C@H](CC(C)C)CN(C)C ZINC000068891868 349931048 /nfs/dbraw/zinc/93/10/48/349931048.db2.gz UCDORFYHBDFMMT-VXGBXAGGSA-N 1 0 232.368 0.560 10 0 BCAERO CSCC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170860946 345602557 /nfs/dbraw/zinc/60/25/57/345602557.db2.gz MUDVAUXNIQJKIB-QMMMGPOBSA-N 1 0 202.323 0.512 10 0 BCAERO CC(C)[C@H](O)C[NH2+][C@H]1CCC(=O)N[C@@H]1C ZINC000308937267 187307501 /nfs/dbraw/zinc/30/75/01/187307501.db2.gz OPOCNWPDMSVAIB-KXUCPTDWSA-N 1 0 214.309 0.260 10 0 BCAERO CC(C)(C)[S@](=O)CCNC(=O)CCC[NH3+] ZINC000236737673 192089544 /nfs/dbraw/zinc/08/95/44/192089544.db2.gz BEWHWXBAOIKCKC-OAHLLOKOSA-N 1 0 234.365 0.389 10 0 BCAERO COC[C@H]([NH3+])C(=O)N1CCN(C)c2ccccc21 ZINC000159936684 345692952 /nfs/dbraw/zinc/69/29/52/345692952.db2.gz XGFHGNPPNZEGFD-JTQLQIEISA-N 1 0 249.314 0.443 10 0 BCAERO CC[NH+](CC)C[C@H](O)CN1CCCC1=O ZINC000197061003 345725594 /nfs/dbraw/zinc/72/55/94/345725594.db2.gz ZEERQDWAJFCHOP-JTQLQIEISA-N 1 0 214.309 0.312 10 0 BCAERO O=C(N1CCC[C@H]2C[NH2+]C[C@H]21)C(F)(F)F ZINC000221536919 345737887 /nfs/dbraw/zinc/73/78/87/345737887.db2.gz ILGYKQRBTNALQS-NKWVEPMBSA-N 1 0 222.210 0.759 10 0 BCAERO CCOC(=O)C12CCC([NH3+])(CC1)C[C@@H]2O ZINC000218553699 345853459 /nfs/dbraw/zinc/85/34/59/345853459.db2.gz WHYJZYOAIIOKMI-PUSIOWJLSA-N 1 0 213.277 0.572 10 0 BCAERO C[C@H](C[NH3+])[C@H](O)c1c(Br)cnn1C ZINC000306180148 537912718 /nfs/dbraw/zinc/91/27/18/537912718.db2.gz XRAHEXHOBXWZNR-XRGYYRRGSA-N 1 0 248.124 0.811 10 0 BCAERO Cc1ccn([C@H](C)C[C@@](C)([NH3+])C(N)=O)n1 ZINC000082800586 537923293 /nfs/dbraw/zinc/92/32/93/537923293.db2.gz YMNOTGFXUBUQSU-PSASIEDQSA-N 1 0 210.281 0.345 10 0 BCAERO COC(=O)[C@@](C)([NH3+])C[C@H](C)n1cncn1 ZINC000082800475 537923780 /nfs/dbraw/zinc/92/37/80/537923780.db2.gz QOLUFPSANYCXBK-CBAPKCEASA-N 1 0 212.253 0.120 10 0 BCAERO COC(=O)[C@](C)([NH3+])C[C@@H](C)n1cccn1 ZINC000082800442 537924132 /nfs/dbraw/zinc/92/41/32/537924132.db2.gz PTDCXOXMHYZDIW-PSASIEDQSA-N 1 0 211.265 0.725 10 0 BCAERO C[NH2+][C@@](C)(C[C@H](C)n1cccn1)C(N)=O ZINC000082800451 537924289 /nfs/dbraw/zinc/92/42/89/537924289.db2.gz VSRAXZBKNVRPJM-WPRPVWTQSA-N 1 0 210.281 0.298 10 0 BCAERO CC(C)N(C)S(=O)(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000061884221 187361265 /nfs/dbraw/zinc/36/12/65/187361265.db2.gz RJJSNFMCCSQFLP-NXEZZACHSA-N 1 0 249.380 0.288 10 0 BCAERO CN1CC[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 ZINC000096988021 187362832 /nfs/dbraw/zinc/36/28/32/187362832.db2.gz INSNHLSBAMRGJR-ZJUUUORDSA-N 1 0 241.335 0.509 10 0 BCAERO CCOC1(OCC)CC[C@H](CO)[NH2+]C1 ZINC000147741943 346030115 /nfs/dbraw/zinc/03/01/15/346030115.db2.gz FTZXEHOUMBPMIL-SECBINFHSA-N 1 0 203.282 0.500 10 0 BCAERO CC1CC[NH+](CCn2cc(N)nn2)CC1 ZINC000723467270 537935203 /nfs/dbraw/zinc/93/52/03/537935203.db2.gz XJBAOIGRIDKHHM-UHFFFAOYSA-N 1 0 209.297 0.592 10 0 BCAERO CC(=O)N[C@@H]1CCN(C(=O)[C@H]([NH3+])CC(C)C)C1 ZINC000130168626 537939338 /nfs/dbraw/zinc/93/93/38/537939338.db2.gz IVMVFGXHNLSEJK-GHMZBOCLSA-N 1 0 241.335 0.097 10 0 BCAERO CCC(=O)N1CCOC2(CCC([NH3+])CC2)C1 ZINC000685948879 537941976 /nfs/dbraw/zinc/94/19/76/537941976.db2.gz DUASMDSGDKKRGB-UHFFFAOYSA-N 1 0 226.320 0.895 10 0 BCAERO Cc1cnc(CN2C[C@H]([NH3+])CC2=O)s1 ZINC000235932496 346171672 /nfs/dbraw/zinc/17/16/72/346171672.db2.gz WCKTVTFJFNVWCR-SSDOTTSWSA-N 1 0 211.290 0.511 10 0 BCAERO Cc1coc(S[C@@H]2C[NH2+]C[C@@H]2O)n1 ZINC000235941349 346173390 /nfs/dbraw/zinc/17/33/90/346173390.db2.gz JQBAZTUQNFORQN-NKWVEPMBSA-N 1 0 200.263 0.408 10 0 BCAERO [NH3+]CC(=O)Nc1cc(Cl)nc(Cl)n1 ZINC000236173856 346204957 /nfs/dbraw/zinc/20/49/57/346204957.db2.gz QYBVKWNZBUBSSC-UHFFFAOYSA-N 1 0 221.047 0.681 10 0 BCAERO c1nc2n(n1)C[C@H]([NH2+]C[C@H]1CCC=CO1)CC2 ZINC000194396812 187316536 /nfs/dbraw/zinc/31/65/36/187316536.db2.gz SWXXOOCPAWFSFK-GHMZBOCLSA-N 1 0 234.303 0.875 10 0 BCAERO CC[C@@H](C(N)=S)[N@@H+]1CCCOCC1 ZINC000061918601 346179954 /nfs/dbraw/zinc/17/99/54/346179954.db2.gz MDBDGWJXTDACEJ-QMMMGPOBSA-N 1 0 202.323 0.773 10 0 BCAERO Cn1nnc(Br)c1C1=CC[NH2+]CC1 ZINC000236078813 346188839 /nfs/dbraw/zinc/18/88/39/346188839.db2.gz VRIOJIIICODIMD-UHFFFAOYSA-N 1 0 243.108 0.954 10 0 BCAERO Cn1nnc(Br)c1N1CC[C@@H]([NH3+])C1 ZINC000236079584 346189625 /nfs/dbraw/zinc/18/96/25/346189625.db2.gz HBRGOCDADWRQPI-RXMQYKEDSA-N 1 0 246.112 0.115 10 0 BCAERO O=C(N[C@@H]1CCC[NH2+]C1)c1cncs1 ZINC000236410559 346236404 /nfs/dbraw/zinc/23/64/04/346236404.db2.gz VTBLSEKCCIDBRX-SSDOTTSWSA-N 1 0 211.290 0.625 10 0 BCAERO CO[C@H](CNC(=O)[C@@]1(C)CCC[NH2+]1)C(C)C ZINC000394487166 346218164 /nfs/dbraw/zinc/21/81/64/346218164.db2.gz WSLYQGZBMFEQQJ-ZYHUDNBSSA-N 1 0 228.336 0.916 10 0 BCAERO O=C(N[C@H]1CCC[NH2+]C1)c1cncs1 ZINC000236406120 346235829 /nfs/dbraw/zinc/23/58/29/346235829.db2.gz VTBLSEKCCIDBRX-ZETCQYMHSA-N 1 0 211.290 0.625 10 0 BCAERO CO[C@@H]1C[C@@H](CO)[N@H+](Cc2cnc(C)o2)C1 ZINC000628267413 346269853 /nfs/dbraw/zinc/26/98/53/346269853.db2.gz VEFVVKQGTKXJHD-VHSXEESVSA-N 1 0 226.276 0.565 10 0 BCAERO C[C@H]([C@@H]1CCCCC[NH2+]1)S(C)(=O)=O ZINC000167641162 346293511 /nfs/dbraw/zinc/29/35/11/346293511.db2.gz RKWWACDBNQRUPG-BDAKNGLRSA-N 1 0 205.323 0.952 10 0 BCAERO C[C@@H](C[NH3+])[C@]1(O)CCCC2(C1)OCCO2 ZINC000669378053 537966855 /nfs/dbraw/zinc/96/68/55/537966855.db2.gz TWSUZFDYAVRFDS-UWVGGRQHSA-N 1 0 215.293 0.629 10 0 BCAERO C[C@@H](C[NH3+])[C@@H](O)c1cn(C)nc1Br ZINC000669378043 537967183 /nfs/dbraw/zinc/96/71/83/537967183.db2.gz RMYDIZQZWNHLMH-CAHLUQPWSA-N 1 0 248.124 0.811 10 0 BCAERO CCC[C@@]1([NH2+]C[C@@H]2CNC(=O)O2)CCOC1 ZINC000381541087 346303049 /nfs/dbraw/zinc/30/30/49/346303049.db2.gz HWDQQKWSYFGCRE-GXSJLCMTSA-N 1 0 228.292 0.644 10 0 BCAERO CC(C)[C@@H](CO)NC(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000395314668 537965289 /nfs/dbraw/zinc/96/52/89/537965289.db2.gz XWPAPXDVUDCXQQ-GMTAPVOTSA-N 1 0 228.336 0.508 10 0 BCAERO Cn1cc([C@@H](O)CC[NH3+])c(Br)n1 ZINC000669377762 537965431 /nfs/dbraw/zinc/96/54/31/537965431.db2.gz HNGYXKBJNFTMHP-LURJTMIESA-N 1 0 234.097 0.565 10 0 BCAERO C[C@@]([NH3+])(CCNC(=O)C1CC1)C(F)F ZINC000669378446 537966217 /nfs/dbraw/zinc/96/62/17/537966217.db2.gz GHRWBYODWNLPIV-SECBINFHSA-N 1 0 206.236 0.885 10 0 BCAERO O=C(/C=C\c1nccs1)NC1C[NH2+]C1 ZINC000390755148 346330500 /nfs/dbraw/zinc/33/05/00/346330500.db2.gz GRSZTPCRDCBLLB-UPHRSURJSA-N 1 0 209.274 0.244 10 0 BCAERO CC[C@H](CO)[NH2+]Cc1cnc2ccnn2c1 ZINC000381551679 346332214 /nfs/dbraw/zinc/33/22/14/346332214.db2.gz NAWJPLWGKODMHT-SNVBAGLBSA-N 1 0 220.276 0.590 10 0 BCAERO CNC(=O)c1cn[nH]c1[C@H]1CCCC[NH2+]1 ZINC000308772350 537968226 /nfs/dbraw/zinc/96/82/26/537968226.db2.gz KDXHYIWUXSGBTE-MRVPVSSYSA-N 1 0 208.265 0.584 10 0 BCAERO CC(C)[N@H+](C)C[C@@H]1C[NH2+]C[C@H](C(=O)[O-])C1 ZINC000669378572 537969212 /nfs/dbraw/zinc/96/92/12/537969212.db2.gz HILGGEMEASCSDD-VHSXEESVSA-N 1 0 214.309 0.637 10 0 BCAERO COC(=O)[C@H](C)[N@@H+]1CC[C@H](CCO)C1 ZINC000161588571 346337938 /nfs/dbraw/zinc/33/79/38/346337938.db2.gz CHYIDZXIORVTQE-DTWKUNHWSA-N 1 0 201.266 0.252 10 0 BCAERO COC(=O)CC[N@@H+]1CC[C@H](CCO)C1 ZINC000161594041 346339178 /nfs/dbraw/zinc/33/91/78/346339178.db2.gz YIVAMXLXWLXIEY-SECBINFHSA-N 1 0 201.266 0.254 10 0 BCAERO CN(C)C(=O)CC[N@@H+]1CC[C@H](CCO)C1 ZINC000161617987 346342486 /nfs/dbraw/zinc/34/24/86/346342486.db2.gz WSMMPUGEXRTPFE-SNVBAGLBSA-N 1 0 214.309 0.169 10 0 BCAERO COCCC(=O)N(C)CC[NH2+]C(C)C ZINC000669378758 537973559 /nfs/dbraw/zinc/97/35/59/537973559.db2.gz LUBJHWUSKHCAEV-UHFFFAOYSA-N 1 0 202.298 0.479 10 0 BCAERO Cc1cccc(CCNS(=O)(=O)CC[NH3+])c1 ZINC000051670634 179058639 /nfs/dbraw/zinc/05/86/39/179058639.db2.gz PMTNRWPHYUGPNA-UHFFFAOYSA-N 1 0 242.344 0.416 10 0 BCAERO Cc1nc(C)c(CN(C)CC[N@H+](C)CCO)o1 ZINC000641776154 362717324 /nfs/dbraw/zinc/71/73/24/362717324.db2.gz TUCAXMKIGHMKBM-UHFFFAOYSA-N 1 0 241.335 0.647 10 0 BCAERO CC(C)NC(=O)N1CCC[NH2+]C2(CC2)C1 ZINC000725241180 537976755 /nfs/dbraw/zinc/97/67/55/537976755.db2.gz AUZHEXBLLHBSRV-UHFFFAOYSA-N 1 0 211.309 0.932 10 0 BCAERO CC(C)NC(=O)N1CCC[NH2+]CC12CC2 ZINC000725241251 537977788 /nfs/dbraw/zinc/97/77/88/537977788.db2.gz CFWCWHHJUFTATN-UHFFFAOYSA-N 1 0 211.309 0.932 10 0 BCAERO Cc1cccc(CN2C[C@@H]([NH3+])CC2=O)n1 ZINC000051577583 179084878 /nfs/dbraw/zinc/08/48/78/179084878.db2.gz CKWPKTXHEHMIFH-VIFPVBQESA-N 1 0 205.261 0.450 10 0 BCAERO COC(=O)CN[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC000725241379 537979196 /nfs/dbraw/zinc/97/91/96/537979196.db2.gz DXYMFEJVMMNNGD-VHSXEESVSA-N 1 0 212.293 0.376 10 0 BCAERO C1=Nc2nnc3c([n+]2=N1)=Cc1ccccc1C3 ZINC000575054045 346446122 /nfs/dbraw/zinc/44/61/22/346446122.db2.gz MPWZOVCZBOLGHR-UHFFFAOYSA-N 1 0 222.231 0.202 10 0 BCAERO Cc1cccc(CNC(=O)[C@@H]2CC[NH2+]C2)n1 ZINC000062116794 179087283 /nfs/dbraw/zinc/08/72/83/179087283.db2.gz GKZJGNRDXVZGNY-SNVBAGLBSA-N 1 0 219.288 0.616 10 0 BCAERO CCOC(=O)[C@@H](C)n1cc([C@H]2CCC[NH2+]2)nn1 ZINC000725241615 537980254 /nfs/dbraw/zinc/98/02/54/537980254.db2.gz JJDHECKEYCWEIN-RKDXNWHRSA-N 1 0 238.291 0.827 10 0 BCAERO CCCNC(=O)N1CCC[NH2+]C2(CC2)C1 ZINC000725241868 537980406 /nfs/dbraw/zinc/98/04/06/537980406.db2.gz UMAJUNWIZUNLMM-UHFFFAOYSA-N 1 0 211.309 0.934 10 0 BCAERO CCOC(=O)[C@@H](C)n1cc([C@@H]2CCC[NH2+]2)nn1 ZINC000725241612 537980633 /nfs/dbraw/zinc/98/06/33/537980633.db2.gz JJDHECKEYCWEIN-BDAKNGLRSA-N 1 0 238.291 0.827 10 0 BCAERO COc1cc(CN2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)on1 ZINC000641797552 362742808 /nfs/dbraw/zinc/74/28/08/362742808.db2.gz FJOWECFSLJWAHF-GDPRMGEGSA-N 1 0 237.303 0.852 10 0 BCAERO Cc1cccc(C[NH2+]CC(=O)NC(N)=O)c1 ZINC000037871818 179090759 /nfs/dbraw/zinc/09/07/59/179090759.db2.gz UBGWUADYHKINDK-UHFFFAOYSA-N 1 0 221.260 0.280 10 0 BCAERO COCCCNC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170861625 346461912 /nfs/dbraw/zinc/46/19/12/346461912.db2.gz OIDCTPTWBQJURQ-SNVBAGLBSA-N 1 0 229.324 0.368 10 0 BCAERO CCN(CC)S(=O)(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170873690 346465936 /nfs/dbraw/zinc/46/59/36/346465936.db2.gz GWUWSEMWNFXKKR-SNVBAGLBSA-N 1 0 249.380 0.209 10 0 BCAERO COCCNC(=O)NCC[C@](C)([NH3+])C(F)F ZINC000669379924 537981912 /nfs/dbraw/zinc/98/19/12/537981912.db2.gz IOBVLRXPISSQGD-VIFPVBQESA-N 1 0 239.266 0.305 10 0 BCAERO COC(=O)c1cnn2c1[C@H](C[NH3+])CCC2 ZINC000725241673 537981925 /nfs/dbraw/zinc/98/19/25/537981925.db2.gz LYQSTLGSPAGAOH-ZETCQYMHSA-N 1 0 209.249 0.506 10 0 BCAERO COC(=O)[C@H](N)C[NH2+]Cc1ccccc1 ZINC000149929258 346506981 /nfs/dbraw/zinc/50/69/81/346506981.db2.gz QJGXGDPESFRITP-SNVBAGLBSA-N 1 0 208.261 0.277 10 0 BCAERO CC(=O)N[C@@H]1C[C@@]2(C[NH2+][C@@H]2C(C)C)C[C@H]1O ZINC000669379791 537982445 /nfs/dbraw/zinc/98/24/45/537982445.db2.gz DEVWVSJBDJAHRV-KKOKHZNYSA-N 1 0 226.320 0.260 10 0 BCAERO C[C@H]1COC[C@H](C)N1C(=O)[C@@H]1CCC[NH2+]C1 ZINC000161573130 346493402 /nfs/dbraw/zinc/49/34/02/346493402.db2.gz QIXAYUSGPGGGEM-GARJFASQSA-N 1 0 226.320 0.622 10 0 BCAERO CCOC(=O)Cn1cc([C@H]2CCC[NH2+]2)nn1 ZINC000725241726 537981583 /nfs/dbraw/zinc/98/15/83/537981583.db2.gz NSPMHIXGRBLDEO-MRVPVSSYSA-N 1 0 224.264 0.266 10 0 BCAERO Cc1cccc(C[C@H]([NH3+])CS(C)(=O)=O)c1 ZINC000052788789 179105811 /nfs/dbraw/zinc/10/58/11/179105811.db2.gz CGQTZSPRLABWJD-NSHDSACASA-N 1 0 227.329 0.909 10 0 BCAERO COC[C@H](C)C[N@@H+]1CCN(C[C@@H](C)O)[C@@H](C)C1 ZINC000187209263 346559861 /nfs/dbraw/zinc/55/98/61/346559861.db2.gz YKPLSQDLZPNVMC-FRRDWIJNSA-N 1 0 244.379 0.656 10 0 BCAERO CC(C)[C@H](C[NH3+])Cn1cc(S(C)(=O)=O)cn1 ZINC000725242039 537983474 /nfs/dbraw/zinc/98/34/74/537983474.db2.gz AXDMFZPAMSKPQD-SECBINFHSA-N 1 0 245.348 0.518 10 0 BCAERO CCc1nnc(CN2CC[C@@](C)(C[NH3+])C2)n1C ZINC000577112470 365820915 /nfs/dbraw/zinc/82/09/15/365820915.db2.gz XFZXEQKMGTUDDI-LBPRGKRZSA-N 1 0 237.351 0.548 10 0 BCAERO COCCNC(=O)NCC[C@@](C)([NH3+])C(F)F ZINC000669379920 537982711 /nfs/dbraw/zinc/98/27/11/537982711.db2.gz IOBVLRXPISSQGD-SECBINFHSA-N 1 0 239.266 0.305 10 0 BCAERO CC(C)([NH2+][C@H]1CCS(=O)(=O)C1)C1CC1 ZINC000230620175 346550693 /nfs/dbraw/zinc/55/06/93/346550693.db2.gz NEQANDCEFYMINT-VIFPVBQESA-N 1 0 217.334 0.952 10 0 BCAERO C[C@]1(Cn2cc(S(C)(=O)=O)cn2)CC[NH2+]C1 ZINC000725242387 537983023 /nfs/dbraw/zinc/98/30/23/537983023.db2.gz YPFXCXIVDZCHPM-JTQLQIEISA-N 1 0 243.332 0.286 10 0 BCAERO CSC1CCN(C(=O)[C@H]2CC[NH2+]C2)CC1 ZINC000300855005 346582691 /nfs/dbraw/zinc/58/26/91/346582691.db2.gz OGOYMIXSOKJPCS-VIFPVBQESA-N 1 0 228.361 0.950 10 0 BCAERO Cc1cccc(NC(=O)C(=O)NCC[NH3+])c1 ZINC000037242974 179124722 /nfs/dbraw/zinc/12/47/22/179124722.db2.gz IKTZACIUTIFQFJ-UHFFFAOYSA-N 1 0 221.260 0.008 10 0 BCAERO Cc1cccc(NC(=O)[C@@H](C)N2CC[NH2+]CC2)n1 ZINC000034958644 179137292 /nfs/dbraw/zinc/13/72/92/179137292.db2.gz MNELUYCVBAAASS-LLVKDONJSA-N 1 0 248.330 0.622 10 0 BCAERO C[C@@H](C[NH2+]CC(C)(C)O)CN1CCOCC1 ZINC000580182805 346626034 /nfs/dbraw/zinc/62/60/34/346626034.db2.gz GPGDJLLFPASRNU-NSHDSACASA-N 1 0 230.352 0.315 10 0 BCAERO C[C@@H]([NH3+])[C@H](C)CN1CCS(=O)CC1 ZINC000165120126 346642754 /nfs/dbraw/zinc/64/27/54/346642754.db2.gz SFKGWDFJIUFDLY-RKDXNWHRSA-N 1 0 204.339 0.034 10 0 BCAERO Cn1cnc2c1[C@](C)([C@H]1CCCO1)[NH2+]CC2 ZINC000725242557 537985104 /nfs/dbraw/zinc/98/51/04/537985104.db2.gz FPTOGWPEUCOFOF-PWSUYJOCSA-N 1 0 221.304 0.960 10 0 BCAERO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2N)cc1C=O ZINC000725242609 537985242 /nfs/dbraw/zinc/98/52/42/537985242.db2.gz LSAIBEBSKZXXGH-RYUDHWBXSA-N 1 0 234.299 0.912 10 0 BCAERO [NH3+]C[C@@H]1CCCN1C(=O)[C@@H]1CCSC1 ZINC000168860938 346746114 /nfs/dbraw/zinc/74/61/14/346746114.db2.gz QGQGZZDSIKRJFR-BDAKNGLRSA-N 1 0 214.334 0.689 10 0 BCAERO COC[C@@H](C)[C@H]1[NH2+]CCc2ncn(C)c21 ZINC000725242515 537985919 /nfs/dbraw/zinc/98/59/19/537985919.db2.gz BAUXMQFFCFZIGJ-PSASIEDQSA-N 1 0 209.293 0.889 10 0 BCAERO Cc1cccc(OCC[NH2+][C@@H]2CC(=O)NC2=O)c1 ZINC000042896150 179168397 /nfs/dbraw/zinc/16/83/97/179168397.db2.gz PBPZYQIWZWNCID-LLVKDONJSA-N 1 0 248.282 0.379 10 0 BCAERO CO[C@H]1CN(CCc2cn[nH]c2)[C@@](C)(C[NH3+])C1 ZINC000641819058 362770945 /nfs/dbraw/zinc/77/09/45/362770945.db2.gz HAQCVWXPNIPRNY-VXGBXAGGSA-N 1 0 238.335 0.390 10 0 BCAERO CCOC[C@]1(C)[NH2+]CCc2ncn(C)c21 ZINC000725242566 537986750 /nfs/dbraw/zinc/98/67/50/537986750.db2.gz HYEDVRBFCLIWNZ-NSHDSACASA-N 1 0 209.293 0.818 10 0 BCAERO CO[C@@H]1CN(CCc2cn[nH]c2)[C@@](C)(C[NH3+])C1 ZINC000641819056 362771280 /nfs/dbraw/zinc/77/12/80/362771280.db2.gz HAQCVWXPNIPRNY-NWDGAFQWSA-N 1 0 238.335 0.390 10 0 BCAERO C[C@@]([NH3+])(Cc1cccc(C2=[NH+]CCN2)c1)C(=O)[O-] ZINC000039374026 347190002 /nfs/dbraw/zinc/19/00/02/347190002.db2.gz GLUPWSCXRYPKNH-CYBMUJFWSA-N 1 0 247.298 0.381 10 0 BCAERO CCS(=O)(=O)NCC[C@](C)([NH3+])C(F)F ZINC000669380351 537987238 /nfs/dbraw/zinc/98/72/38/537987238.db2.gz LIJIHRPAKNTSTF-ZETCQYMHSA-N 1 0 230.280 0.298 10 0 BCAERO CC(C)O[C@@H]1CC[C@H]2[NH2+]CCN(C)[C@@H]2N1 ZINC000669380387 537987480 /nfs/dbraw/zinc/98/74/80/537987480.db2.gz MNVCHEWGKGSOHG-MXWKQRLJSA-N 1 0 213.325 0.351 10 0 BCAERO C[NH+](C)[C@@]1(C(=O)[O-])CC[N@@H+]2CCC[C@H]2C1 ZINC000250342706 362799856 /nfs/dbraw/zinc/79/98/56/362799856.db2.gz DGOWAQLDDFMMFJ-ONGXEEELSA-N 1 0 212.293 0.630 10 0 BCAERO COC(=O)CN1CCC[N@@H+]2CCC[C@H]2C1 ZINC000250363724 362800847 /nfs/dbraw/zinc/80/08/47/362800847.db2.gz HXOUSBAUWVRBBE-JTQLQIEISA-N 1 0 212.293 0.330 10 0 BCAERO CN1CCN([C@H]2CCSC2)[C@@H](C[NH3+])C1 ZINC000250376659 362802256 /nfs/dbraw/zinc/80/22/56/362802256.db2.gz KSVJACVTLVVPOD-UWVGGRQHSA-N 1 0 215.366 0.067 10 0 BCAERO c1nc2c([nH]1)[C@]1(C[C@H]3COC[C@@H]31)[NH2+]CC2 ZINC000725242858 537988584 /nfs/dbraw/zinc/98/85/84/537988584.db2.gz FECTWSKHNXRNPP-DKCNOQQISA-N 1 0 205.261 0.417 10 0 BCAERO C[C@H]([NH2+]C[C@@H]1CNC(=O)O1)[C@H]1CCOC1 ZINC000380095304 365878182 /nfs/dbraw/zinc/87/81/82/365878182.db2.gz KCPWDAUAKFYLMN-XHNCKOQMSA-N 1 0 214.265 0.109 10 0 BCAERO Cc1cccc2c(CC[NH3+])cn(CC(N)=O)c21 ZINC000068576872 179209455 /nfs/dbraw/zinc/20/94/55/179209455.db2.gz IYRFTJVUSZQKJK-UHFFFAOYSA-N 1 0 231.299 0.936 10 0 BCAERO COC[C@H]([NH3+])C(=O)N(CC1CC1)C(C)C ZINC000088003864 362819642 /nfs/dbraw/zinc/81/96/42/362819642.db2.gz LCFGFKTZEIAPEE-JTQLQIEISA-N 1 0 214.309 0.607 10 0 BCAERO C[C@]1(C[NH2+][C@@H]2COC[C@H]2O)CCCS1 ZINC000250789218 362821380 /nfs/dbraw/zinc/82/13/80/362821380.db2.gz HPBMQTBZNRULQX-OPRDCNLKSA-N 1 0 217.334 0.621 10 0 BCAERO CC(C)(C)OC(=O)N1C[C@@H]2C[NH2+]C[C@H]2[C@@H]1CO ZINC000145594500 347388636 /nfs/dbraw/zinc/38/86/36/347388636.db2.gz PEUZQFKMLQKCCY-AEJSXWLSSA-N 1 0 242.319 0.434 10 0 BCAERO [NH3+]C1CCN(Cc2cnn3cccnc23)CC1 ZINC000616567892 347441127 /nfs/dbraw/zinc/44/11/27/347441127.db2.gz SWKUKSFBIZAOFZ-UHFFFAOYSA-N 1 0 231.303 0.652 10 0 BCAERO C[C@H](C(N)=S)[N@@H+]1CCN2CCC[C@H]2C1 ZINC000251032207 362833820 /nfs/dbraw/zinc/83/38/20/362833820.db2.gz ISTBSBAYDSSZTO-BDAKNGLRSA-N 1 0 213.350 0.441 10 0 BCAERO [NH3+][C@H](CC1CCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000150016923 347588794 /nfs/dbraw/zinc/58/87/94/347588794.db2.gz BSXPFMSRYDYYQF-NXEZZACHSA-N 1 0 217.334 0.939 10 0 BCAERO [NH3+][C@@H](CC1CCC1)[C@H]1CCS(=O)(=O)C1 ZINC000150017130 347588841 /nfs/dbraw/zinc/58/88/41/347588841.db2.gz BSXPFMSRYDYYQF-UWVGGRQHSA-N 1 0 217.334 0.939 10 0 BCAERO C[NH2+][C@@H](C=C(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000150047435 347592029 /nfs/dbraw/zinc/59/20/29/347592029.db2.gz GTTOVRSVOFCCCJ-ZJUUUORDSA-N 1 0 217.334 0.975 10 0 BCAERO Cc1noc(CN2CC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000082462940 347599772 /nfs/dbraw/zinc/59/97/72/347599772.db2.gz XXHKMNPIFVSFEN-SNVBAGLBSA-N 1 0 222.292 0.658 10 0 BCAERO CCN1CC[C@H]([NH2+]Cc2c(C)cnn2C)C1 ZINC000394869685 323151745 /nfs/dbraw/zinc/15/17/45/323151745.db2.gz XAZXXGCBTNIMAT-NSHDSACASA-N 1 0 222.336 0.912 10 0 BCAERO CS[C@H](C)CNC(=O)[C@H]1C[NH2+]CCOC1 ZINC000591631450 347680668 /nfs/dbraw/zinc/68/06/68/347680668.db2.gz QVVDNVIPBKQXHX-BDAKNGLRSA-N 1 0 232.349 0.090 10 0 BCAERO COC[C@]1(C(=O)NC[C@H](C)SC)CCC[NH2+]1 ZINC000591631503 347680766 /nfs/dbraw/zinc/68/07/66/347680766.db2.gz TZZVVXCLADGYLN-ONGXEEELSA-N 1 0 246.376 0.623 10 0 BCAERO COC[C@]1(C(=O)NC[C@@H](C)SC)CCC[NH2+]1 ZINC000591631499 347680990 /nfs/dbraw/zinc/68/09/90/347680990.db2.gz TZZVVXCLADGYLN-KOLCDFICSA-N 1 0 246.376 0.623 10 0 BCAERO CS[C@H]1CC[C@H]1[NH2+]C1CCN(CCO)CC1 ZINC000591835644 347703102 /nfs/dbraw/zinc/70/31/02/347703102.db2.gz ZHLRAUZUVWSGRE-NEPJUHHUSA-N 1 0 244.404 0.927 10 0 BCAERO Cc1ccccc1C[NH2+][C@H]1COC[C@H]1O ZINC000037894960 179284015 /nfs/dbraw/zinc/28/40/15/179284015.db2.gz UCXCLGLZCVMKPR-NWDGAFQWSA-N 1 0 207.273 0.844 10 0 BCAERO COC(=O)[C@@H]1C[N@H+](CC2(O)CCC2)C[C@H]1C ZINC000592128378 347739041 /nfs/dbraw/zinc/73/90/41/347739041.db2.gz KYQLREVYVWRVII-NXEZZACHSA-N 1 0 227.304 0.642 10 0 BCAERO COCCNC(=O)N[C@@](C)(CC[NH3+])C(F)F ZINC000669381020 537992220 /nfs/dbraw/zinc/99/22/20/537992220.db2.gz VUQSRJTUROQBAC-VIFPVBQESA-N 1 0 239.266 0.305 10 0 BCAERO CCCS(=O)(=O)NCC[C@@](C)([NH3+])C(F)F ZINC000669380891 537992229 /nfs/dbraw/zinc/99/22/29/537992229.db2.gz RJXIPWNPCLWJMJ-MRVPVSSYSA-N 1 0 244.307 0.688 10 0 BCAERO COC(=O)[C@](C)(O)C[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000592180832 347759566 /nfs/dbraw/zinc/75/95/66/347759566.db2.gz HDJRVYRROXXKFM-BTQIBKBOSA-N 1 0 227.304 0.689 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)N(C)C[C@H]1CCCOC1 ZINC000082545379 347791855 /nfs/dbraw/zinc/79/18/55/347791855.db2.gz LSFZPQFXQQNJTB-GHMZBOCLSA-N 1 0 228.336 0.999 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N(C)C[C@H]1CCCOC1 ZINC000082545378 347791884 /nfs/dbraw/zinc/79/18/84/347791884.db2.gz LSFZPQFXQQNJTB-MNOVXSKESA-N 1 0 228.336 0.999 10 0 BCAERO Cc1ccccc1NC(=O)[C@H]1C[NH2+][C@H](C)CN1 ZINC000062814257 179303237 /nfs/dbraw/zinc/30/32/37/179303237.db2.gz ANBQGZDCBSIAPR-ZYHUDNBSSA-N 1 0 233.315 0.883 10 0 BCAERO COCC(=O)N1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000616569853 347850237 /nfs/dbraw/zinc/85/02/37/347850237.db2.gz CTHCRVGUXYHMOY-NKWVEPMBSA-N 1 0 240.225 0.371 10 0 BCAERO Cc1ccccc1NC(=O)C(=O)NCC[NH3+] ZINC000037243279 179298086 /nfs/dbraw/zinc/29/80/86/179298086.db2.gz PTNBSXMQMQTCAI-UHFFFAOYSA-N 1 0 221.260 0.008 10 0 BCAERO CCNC(=O)N[C@](C)(CC[NH3+])C(F)F ZINC000669381151 537993711 /nfs/dbraw/zinc/99/37/11/537993711.db2.gz ZUCPZNRVRWYYNV-MRVPVSSYSA-N 1 0 209.240 0.678 10 0 BCAERO CN(C1CC1)[C@@H]1CC2(CC[C@@H]1[NH3+])OCCO2 ZINC000037080993 348016898 /nfs/dbraw/zinc/01/68/98/348016898.db2.gz ZQHGXQKSNGISRF-WDEREUQCSA-N 1 0 226.320 0.704 10 0 BCAERO CC(=O)N[C@H]1C[NH2+]CC[C@H]1C(F)(F)F ZINC000616570301 348024860 /nfs/dbraw/zinc/02/48/60/348024860.db2.gz FOMNDTMPAWOGER-RQJHMYQMSA-N 1 0 210.199 0.663 10 0 BCAERO [NH3+]C[C@@H](n1cccnc1=O)C(F)(F)F ZINC000037169747 348024942 /nfs/dbraw/zinc/02/49/42/348024942.db2.gz VEPCXOCTRVLELX-RXMQYKEDSA-N 1 0 207.155 0.305 10 0 BCAERO Cc1ccccc1[C@H]([C@@H](C)[NH3+])N(C)CC(N)=O ZINC000043034667 179347802 /nfs/dbraw/zinc/34/78/02/179347802.db2.gz NXEVECIBZOCXBI-MFKMUULPSA-N 1 0 235.331 0.800 10 0 BCAERO O=C([C@@H]1CCOC1)N1CC[C@@H]2[NH2+]CCC[C@H]21 ZINC000616570652 348079694 /nfs/dbraw/zinc/07/96/94/348079694.db2.gz HCTRJCIPLBIZRR-OUAUKWLOSA-N 1 0 224.304 0.376 10 0 BCAERO Cc1cccnc1-c1nnc(CC[NH3+])o1 ZINC000051813791 179357503 /nfs/dbraw/zinc/35/75/03/179357503.db2.gz CSKBPVHBAMHNOK-UHFFFAOYSA-N 1 0 204.233 0.941 10 0 BCAERO Cc1cccn(CCN2CC[NH2+]CC2)c1=O ZINC000062986074 179351633 /nfs/dbraw/zinc/35/16/33/179351633.db2.gz IBGYVRDLWXVHKW-UHFFFAOYSA-N 1 0 221.304 0.062 10 0 BCAERO C[C@@]1(CN2CCS(=O)CC2)CC[NH2+]C1 ZINC000062911870 348095975 /nfs/dbraw/zinc/09/59/75/348095975.db2.gz IZVOHUIHEFOSSW-SNVBAGLBSA-N 1 0 216.350 0.050 10 0 BCAERO C=CC(=O)N1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000616571298 348198050 /nfs/dbraw/zinc/19/80/50/348198050.db2.gz KJQQGHBKCVJBMG-RNFRBKRXSA-N 1 0 222.210 0.911 10 0 BCAERO Cc1cccnc1N(C)CC(=O)N1CC[NH2+]CC1 ZINC000051041264 179388424 /nfs/dbraw/zinc/38/84/24/179388424.db2.gz XJMKBRQIUNYJFE-UHFFFAOYSA-N 1 0 248.330 0.258 10 0 BCAERO CCC[NH2+]C[C@@]1(O)CCNCC1(F)F ZINC000669382545 538002016 /nfs/dbraw/zinc/00/20/16/538002016.db2.gz MLALCEJRMOQRRS-QMMMGPOBSA-N 1 0 208.252 0.346 10 0 BCAERO Cc1cccnc1NC(=O)[C@H]1CC[NH2+]C1 ZINC000062112542 179392530 /nfs/dbraw/zinc/39/25/30/179392530.db2.gz SXSVSRVVCOXIAE-VIFPVBQESA-N 1 0 205.261 0.938 10 0 BCAERO C[C@@H](C[N@@H+]1C[C@H](C)C[C@@H]([NH3+])C1)C(=O)[O-] ZINC000251736957 362901764 /nfs/dbraw/zinc/90/17/64/362901764.db2.gz CQEVSWSLLQAJNG-HRDYMLBCSA-N 1 0 200.282 0.376 10 0 BCAERO C[C@H](C[NH3+])C(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000251732125 362903601 /nfs/dbraw/zinc/90/36/01/362903601.db2.gz QOTXOAPSZZXZCU-IWSPIJDZSA-N 1 0 200.282 0.217 10 0 BCAERO C[C@H](C(=O)[O-])[N@@H+]1C[C@H](C[NH3+])CC[C@H]1C ZINC000251775288 362911217 /nfs/dbraw/zinc/91/12/17/362911217.db2.gz KXEMNWXLDFSKAY-HLTSFMKQSA-N 1 0 200.282 0.519 10 0 BCAERO C[C@@H]1CSCCN1C[C@H]1COCC[NH2+]1 ZINC000251771781 362911937 /nfs/dbraw/zinc/91/19/37/362911937.db2.gz MLJVMYOUFPOONH-ZJUUUORDSA-N 1 0 216.350 0.412 10 0 BCAERO C[C@@H]1C[C@@H]2[NH2+]CC[S@](=O)[C@@H]2[C@@H](C)O1 ZINC000251780203 362914494 /nfs/dbraw/zinc/91/44/94/362914494.db2.gz FLUNMJJADLQHQP-TXMIUUAVSA-N 1 0 203.307 0.273 10 0 BCAERO Cc1c(C[NH2+]C[C@@H]2COCCN2C)cnn1C ZINC000623711485 362927142 /nfs/dbraw/zinc/92/71/42/362927142.db2.gz GQGKQXGFGZCMIF-GFCCVEGCSA-N 1 0 238.335 0.149 10 0 BCAERO COC(=O)[C@@H]1CCCCN1C(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000595952607 348404198 /nfs/dbraw/zinc/40/41/98/348404198.db2.gz QEQSPYPCUOLTIK-GUBZILKMSA-N 1 0 240.303 0.278 10 0 BCAERO CC[C@H]([NH2+]C)C(=O)N1CCC[C@@H](C(=O)OC)C1 ZINC000595955672 348404848 /nfs/dbraw/zinc/40/48/48/348404848.db2.gz CSZRQESSBZNKOI-ZJUUUORDSA-N 1 0 242.319 0.396 10 0 BCAERO CCCN1CCC(=O)[C@]2(C[NH2+]C[C@H]2C)C1 ZINC000725246172 538004917 /nfs/dbraw/zinc/00/49/17/538004917.db2.gz RAKAGSFUBMEEPT-ZYHUDNBSSA-N 1 0 210.321 0.897 10 0 BCAERO CCCN1CCC(=O)[C@@]2(C[NH2+]C[C@H]2C)C1 ZINC000725246171 538005404 /nfs/dbraw/zinc/00/54/04/538005404.db2.gz RAKAGSFUBMEEPT-PWSUYJOCSA-N 1 0 210.321 0.897 10 0 BCAERO CCC(=O)Nc1ccn([C@H]2CC[NH2+]C2)n1 ZINC000308772410 348470198 /nfs/dbraw/zinc/47/01/98/348470198.db2.gz VKIAKHQCVKLJIP-QMMMGPOBSA-N 1 0 208.265 0.766 10 0 BCAERO COCC[C@@H](CO)[NH2+]C[C@H](O)C(C)(C)C ZINC000308776003 348543096 /nfs/dbraw/zinc/54/30/96/348543096.db2.gz AEXMHZNORFMSJB-UWVGGRQHSA-N 1 0 219.325 0.380 10 0 BCAERO C[C@H]([NH2+]C[C@@H](O)C(C)(C)C)C(=O)N(C)C ZINC000308778494 348547873 /nfs/dbraw/zinc/54/78/73/348547873.db2.gz BNUMHINGDNJQQP-DTWKUNHWSA-N 1 0 216.325 0.460 10 0 BCAERO O=C([C@H](O)C[NH2+]Cc1ccccc1)N1CCCC1 ZINC000669382995 538006329 /nfs/dbraw/zinc/00/63/29/538006329.db2.gz QIDVKLLRNKWAGM-CYBMUJFWSA-N 1 0 248.326 0.760 10 0 BCAERO COC(=O)[C@@H]1CC[C@H](O)[C@]2(C[NH2+]C[C@H]2C)C1 ZINC000725246224 538006597 /nfs/dbraw/zinc/00/65/97/538006597.db2.gz RNKHCUXQKLTXND-SVDPJWKOSA-N 1 0 227.304 0.546 10 0 BCAERO C[C@H]([NH2+][C@H]1CCS(=O)(=O)C1)C1(C)CC1 ZINC000037467566 348610276 /nfs/dbraw/zinc/61/02/76/348610276.db2.gz USIBXRGSGHDSHY-IUCAKERBSA-N 1 0 217.334 0.952 10 0 BCAERO CN([C@@H]1CCC[NH2+]C1)S(=O)(=O)C(F)F ZINC000037470051 348611068 /nfs/dbraw/zinc/61/10/68/348611068.db2.gz OPSHTRWIUKEWIZ-ZCFIWIBFSA-N 1 0 228.264 0.223 10 0 BCAERO COC(=O)[C@@]1(Cl)O[C@]1(C)CC[NH+](C)C ZINC000669383397 538009354 /nfs/dbraw/zinc/00/93/54/538009354.db2.gz PFPLGQSXVYVDKW-RKDXNWHRSA-N 1 0 221.684 0.835 10 0 BCAERO COC(=O)[C@H]1OC12CCC([NH+](C)C)CC2 ZINC000669383204 538009416 /nfs/dbraw/zinc/00/94/16/538009416.db2.gz OGSPRKFMRKIFTC-INWMGODYSA-N 1 0 213.277 0.801 10 0 BCAERO Cc1cnc(C)c(N2C[C@@H](C)[C@@H]([NH3+])C2)n1 ZINC000235386510 179579843 /nfs/dbraw/zinc/57/98/43/179579843.db2.gz CAYIHSCIYVTUKG-XCBNKYQSSA-N 1 0 206.293 0.877 10 0 BCAERO O=C1c2ccccc2C(=O)N1CCC1C[NH2+]C1 ZINC000216476480 348643570 /nfs/dbraw/zinc/64/35/70/348643570.db2.gz AFOOIQWUTKBYAK-UHFFFAOYSA-N 1 0 230.267 0.892 10 0 BCAERO CS[C@@H]1CC[C@H]1[NH2+]C[C@@H]1CC(=O)N(C)C1 ZINC000597212665 348680604 /nfs/dbraw/zinc/68/06/04/348680604.db2.gz AAOWOBHYMSWALB-IVZWLZJFSA-N 1 0 228.361 0.948 10 0 BCAERO COC(=O)c1ccc(C[NH2+]C2CC(CO)C2)o1 ZINC000597246329 348689001 /nfs/dbraw/zinc/68/90/01/348689001.db2.gz RXGIUJDWZOHXOO-UHFFFAOYSA-N 1 0 239.271 0.927 10 0 BCAERO COC(=O)c1ccc(C[NH2+]C2CC(CO)C2)[nH]1 ZINC000597246351 348689110 /nfs/dbraw/zinc/68/91/10/348689110.db2.gz SSEFJJUUPYOUJH-UHFFFAOYSA-N 1 0 238.287 0.662 10 0 BCAERO Cc1cnc([C@@H](C)NC(=O)[C@@H]2CCC[NH2+]2)o1 ZINC000226707313 179646215 /nfs/dbraw/zinc/64/62/15/179646215.db2.gz ZMUBZLZLCVVGDW-BDAKNGLRSA-N 1 0 223.276 0.912 10 0 BCAERO O=C(N[C@@H]1CCCOCC1)[C@@H]1CC[NH2+]C1 ZINC000308831383 348761055 /nfs/dbraw/zinc/76/10/55/348761055.db2.gz JOVBJNUDXXTEOT-NXEZZACHSA-N 1 0 212.293 0.281 10 0 BCAERO CN1CCN(c2nc(C[NH3+])ccc2Cl)CC1 ZINC000669383883 538012420 /nfs/dbraw/zinc/01/24/20/538012420.db2.gz ZWEMYXFPUSBQIL-UHFFFAOYSA-N 1 0 240.738 0.946 10 0 BCAERO C[NH2+][C@H](C)C(=O)NCc1cccc2c1OCO2 ZINC000054076062 348878777 /nfs/dbraw/zinc/87/87/77/348878777.db2.gz IUNPUPFJLMSUNR-MRVPVSSYSA-N 1 0 236.271 0.639 10 0 BCAERO Nc1cc(F)cc(F)c1NC1=[NH+]CCN1 ZINC000521401923 323201322 /nfs/dbraw/zinc/20/13/22/323201322.db2.gz RMTLFQLGZSFWNP-UHFFFAOYSA-N 1 0 212.203 0.918 10 0 BCAERO C[C@@H]1CC[C@@H](C2CC[NH2+]CC2)[C@H](C(=O)[O-])[NH2+]1 ZINC000669385251 538019143 /nfs/dbraw/zinc/01/91/43/538019143.db2.gz UJGGAHKIDBEBEA-DVVUODLYSA-N 1 0 226.320 0.827 10 0 BCAERO CC(C)(C)OC(=O)N(CCO)[C@@H]1CC[NH2+]C1 ZINC000117673494 348986099 /nfs/dbraw/zinc/98/60/99/348986099.db2.gz ZATYBKXWOIQBML-SECBINFHSA-N 1 0 230.308 0.578 10 0 BCAERO C[NH2+]CCNC(=O)c1ccc(N(C)C)cc1 ZINC000054244225 348960693 /nfs/dbraw/zinc/96/06/93/348960693.db2.gz BKWUKSIBPKXCPY-UHFFFAOYSA-N 1 0 221.304 0.702 10 0 BCAERO COC[C@@H](C)NC(=O)C[C@H]1CCC[NH2+]C1 ZINC000054290061 348961547 /nfs/dbraw/zinc/96/15/47/348961547.db2.gz VRLXCBAUVLTSOR-NXEZZACHSA-N 1 0 214.309 0.527 10 0 BCAERO Cc1cnn([C@H](c2cnn(C)c2)[C@H](C)[NH3+])c1 ZINC000043232754 179748135 /nfs/dbraw/zinc/74/81/35/179748135.db2.gz SAOWLNMAXORZTG-ONGXEEELSA-N 1 0 219.292 0.862 10 0 BCAERO CC(C)(C)n1nnnc1[C@@H]1CCC[NH2+]C1 ZINC000616573323 349069555 /nfs/dbraw/zinc/06/95/55/349069555.db2.gz HKKULLXWRIEDSU-MRVPVSSYSA-N 1 0 209.297 0.895 10 0 BCAERO O[C@]1(COc2ccc(F)cc2)C[NH2+]CCOC1 ZINC000616576128 349100160 /nfs/dbraw/zinc/10/01/60/349100160.db2.gz RBCYCORAXLXULJ-GFCCVEGCSA-N 1 0 241.262 0.555 10 0 BCAERO COCCC(=O)N1CCC2(C[NH2+]C2)CC1 ZINC000616571967 349064012 /nfs/dbraw/zinc/06/40/12/349064012.db2.gz OXSJYLBWIXEWNS-UHFFFAOYSA-N 1 0 212.293 0.235 10 0 BCAERO Cc1csc(-n2nncc2CC[NH3+])n1 ZINC000062426097 179762279 /nfs/dbraw/zinc/76/22/79/179762279.db2.gz OPAWEPVWFSEGFV-UHFFFAOYSA-N 1 0 209.278 0.533 10 0 BCAERO CC[C@H](C)[C@H]([NH3+])[C@H]1CCS(=O)(=O)C1 ZINC000251849148 362941749 /nfs/dbraw/zinc/94/17/49/362941749.db2.gz MSLGFLPXOLIVBR-CIUDSAMLSA-N 1 0 205.323 0.795 10 0 BCAERO CC[C@H](CC[NH3+])n1cc(S(C)(=O)=O)cn1 ZINC000725251914 538032340 /nfs/dbraw/zinc/03/23/40/538032340.db2.gz HWHBCHAYQWPXRQ-MRVPVSSYSA-N 1 0 231.321 0.587 10 0 BCAERO C[C@H]([NH3+])CCn1cc(S(C)(=O)=O)cn1 ZINC000725251875 538032389 /nfs/dbraw/zinc/03/23/89/538032389.db2.gz HHVXFLVMSIRBRK-ZETCQYMHSA-N 1 0 217.294 0.024 10 0 BCAERO CC[C@H](C)[C@H](C)NC(=O)[C@H]1C[C@@H](OC)C[NH2+]1 ZINC000251738649 349188143 /nfs/dbraw/zinc/18/81/43/349188143.db2.gz GBXDJAJWGIZDEY-UKKRHICBSA-N 1 0 228.336 0.914 10 0 BCAERO C[C@H]1C[NH2+]CC[C@H]1n1cc(S(C)(=O)=O)cn1 ZINC000725252031 538032460 /nfs/dbraw/zinc/03/24/60/538032460.db2.gz JQMLHFUDPTXFST-WCBMZHEXSA-N 1 0 243.332 0.457 10 0 BCAERO CS(=O)(=O)c1cnn([C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000725251492 538029289 /nfs/dbraw/zinc/02/92/89/538029289.db2.gz ADKDLOOQUNDDFE-RKDXNWHRSA-N 1 0 243.332 0.729 10 0 BCAERO CC[NH2+]CCCn1cc(S(C)(=O)=O)cn1 ZINC000725251501 538029937 /nfs/dbraw/zinc/02/99/37/538029937.db2.gz AJLYCANCJISRMJ-UHFFFAOYSA-N 1 0 231.321 0.286 10 0 BCAERO CS(=O)(=O)c1cnn(CCCC(=[NH2+])NO)c1 ZINC000725251585 538030854 /nfs/dbraw/zinc/03/08/54/538030854.db2.gz KXFJRKSCGTUHOM-UHFFFAOYSA-N 1 0 246.292 0.023 10 0 BCAERO C[C@@H]1CC[C@H](n2cc(S(C)(=O)=O)cn2)C[NH2+]1 ZINC000725251905 538031760 /nfs/dbraw/zinc/03/17/60/538031760.db2.gz HTYLVAMLBJGZQE-BDAKNGLRSA-N 1 0 243.332 0.600 10 0 BCAERO C[C@@H](C[NH3+])N(C)c1ncnc2[nH]ccc21 ZINC000420184571 192171915 /nfs/dbraw/zinc/17/19/15/192171915.db2.gz JRKFBSGXOCOMKZ-ZETCQYMHSA-N 1 0 205.265 0.741 10 0 BCAERO CS(=O)(=O)c1cnn(C[C@H]2CC[C@H]([NH3+])C2)c1 ZINC000725252917 538034924 /nfs/dbraw/zinc/03/49/24/538034924.db2.gz PMIICZQSSNMNFB-IUCAKERBSA-N 1 0 243.332 0.414 10 0 BCAERO C[C@H](CC[NH3+])NC(=O)[C@@H]1CC[C@H](C)O1 ZINC000251929609 349193296 /nfs/dbraw/zinc/19/32/96/349193296.db2.gz VFEIPYZRTTWBOL-VGMNWLOBSA-N 1 0 200.282 0.407 10 0 BCAERO CC[C@@H]([NH3+])Cn1cc(S(C)(=O)=O)cn1 ZINC000725252519 538033313 /nfs/dbraw/zinc/03/33/13/538033313.db2.gz MRIQDZDNFMGGPX-SSDOTTSWSA-N 1 0 217.294 0.024 10 0 BCAERO CC(C)S(=O)(=O)CCN1C[C@H](C[NH3+])C[C@H]1C ZINC000261534983 535095070 /nfs/dbraw/zinc/09/50/70/535095070.db2.gz VBZTXGYQSWWLDT-MNOVXSKESA-N 1 0 248.392 0.479 10 0 BCAERO CN(C)c1nccc(N(C)[C@@H]2CC[NH2+]C2)n1 ZINC000082924385 349251745 /nfs/dbraw/zinc/25/17/45/349251745.db2.gz GHZIVELPWMEVQH-SECBINFHSA-N 1 0 221.308 0.341 10 0 BCAERO CS(=O)(=O)c1cnn([C@H]2CCC[C@@H]2[NH3+])c1 ZINC000725253281 538036488 /nfs/dbraw/zinc/03/64/88/538036488.db2.gz SYCLNMLLYUQMKX-IUCAKERBSA-N 1 0 229.305 0.339 10 0 BCAERO C[C@@H]1C[C@@H](NC(=O)C[C@@H]2CCC[NH2+]C2)CO1 ZINC000402044989 349265933 /nfs/dbraw/zinc/26/59/33/349265933.db2.gz KLPGXDLZBVBJBE-OUAUKWLOSA-N 1 0 226.320 0.670 10 0 BCAERO CS(=O)(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000725253387 538037107 /nfs/dbraw/zinc/03/71/07/538037107.db2.gz UVLMTNXAUPDDPB-MRVPVSSYSA-N 1 0 229.305 0.211 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H](n2cc(S(C)(=O)=O)cn2)C1 ZINC000725253430 538038111 /nfs/dbraw/zinc/03/81/11/538038111.db2.gz VIKBLAICZUCSRT-DTWKUNHWSA-N 1 0 243.332 0.457 10 0 BCAERO COCCc1nc2c(n1C)[C@@H]([NH3+])CCC2 ZINC000725253653 538038877 /nfs/dbraw/zinc/03/88/77/538038877.db2.gz VOSXSMMJSYJMJS-QMMMGPOBSA-N 1 0 209.293 0.945 10 0 BCAERO CS(=O)(=O)c1cnn(CC2(CC[NH3+])CC2)c1 ZINC000725253803 538039072 /nfs/dbraw/zinc/03/90/72/538039072.db2.gz ZMXKXUMGKQQIFA-UHFFFAOYSA-N 1 0 243.332 0.416 10 0 BCAERO C[NH2+][C@@H](C)CCCn1cc(S(C)(=O)=O)cn1 ZINC000725253657 538039437 /nfs/dbraw/zinc/03/94/37/538039437.db2.gz YRECUOUHXUUZGR-VIFPVBQESA-N 1 0 245.348 0.675 10 0 BCAERO CS(=O)(=O)c1cnn(C[C@H]([NH3+])C2CC2)c1 ZINC000725253609 538037930 /nfs/dbraw/zinc/03/79/30/538037930.db2.gz YANXZSVLCOZPNH-VIFPVBQESA-N 1 0 229.305 0.024 10 0 BCAERO CC(C)n1cc(NC(=O)[C@H]2C[C@@H](O)C[NH2+]2)cn1 ZINC000061683547 349388787 /nfs/dbraw/zinc/38/87/87/349388787.db2.gz LXRBVJSPZXXSMC-NXEZZACHSA-N 1 0 238.291 0.125 10 0 BCAERO C[C@@H]1CC[NH2+][C@H](C(=O)NC[C@@H](O)C(C)(C)C)C1 ZINC000324288101 323226627 /nfs/dbraw/zinc/22/66/27/323226627.db2.gz ADNBXLWEUKENBY-OUAUKWLOSA-N 1 0 242.363 0.898 10 0 BCAERO C[C@H]1C[N@H+](CCCF)C[C@@H]1N1CCOCC1 ZINC000151613263 538046400 /nfs/dbraw/zinc/04/64/00/538046400.db2.gz PVHXROWIVMTXCY-RYUDHWBXSA-N 1 0 230.327 0.999 10 0 BCAERO C[C@]1(C(=O)NCc2ccncc2)CCC[NH2+]1 ZINC000070618629 350032153 /nfs/dbraw/zinc/03/21/53/350032153.db2.gz LIQCQJLNCWMMLC-GFCCVEGCSA-N 1 0 219.288 0.840 10 0 BCAERO Cc1nnc2c(N(C)CCC[NH3+])nccn12 ZINC000070616400 350030202 /nfs/dbraw/zinc/03/02/02/350030202.db2.gz DOJSEDXPPBIHCB-UHFFFAOYSA-N 1 0 220.280 0.218 10 0 BCAERO Cc1nc(CNC(=O)[C@H]2CCC[C@H]([NH3+])C2)no1 ZINC000226356236 179966591 /nfs/dbraw/zinc/96/65/91/179966591.db2.gz ZXJJRQXTYYJVKG-IUCAKERBSA-N 1 0 238.291 0.512 10 0 BCAERO CC[C@@H](COC)NC(=O)C[C@H]1CCC[NH2+]C1 ZINC000070659015 350040164 /nfs/dbraw/zinc/04/01/64/350040164.db2.gz ATFRELHQTLYFHT-MNOVXSKESA-N 1 0 228.336 0.917 10 0 BCAERO CC[C@@H](COC)NC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000070659013 350040183 /nfs/dbraw/zinc/04/01/83/350040183.db2.gz ATFRELHQTLYFHT-QWRGUYRKSA-N 1 0 228.336 0.917 10 0 BCAERO CC[C@H](COC)NC(=O)C[C@H]1CCC[NH2+]C1 ZINC000070659016 350040199 /nfs/dbraw/zinc/04/01/99/350040199.db2.gz ATFRELHQTLYFHT-GHMZBOCLSA-N 1 0 228.336 0.917 10 0 BCAERO C[NH2+][C@H](C)C(=O)N[C@@H]1c2ccccc2C[C@H]1O ZINC000302094987 350041099 /nfs/dbraw/zinc/04/10/99/350041099.db2.gz PUYKXQWPMKZWTN-GGZOMVNGSA-N 1 0 234.299 0.369 10 0 BCAERO COC(=O)[C@H](N)c1c[nH]c2ncccc12 ZINC000022049287 350065106 /nfs/dbraw/zinc/06/51/06/350065106.db2.gz UQLRXNPSCJMTHH-MRVPVSSYSA-N 1 0 205.217 0.736 10 0 in-vitro BCAERO COC(=O)[C@@H](N)c1c[nH]c2ncccc12 ZINC000022049282 350065518 /nfs/dbraw/zinc/06/55/18/350065518.db2.gz UQLRXNPSCJMTHH-QMMMGPOBSA-N 1 0 205.217 0.736 10 0 in-vitro BCAERO C[NH2+][C@@H]1CCN(c2ncc(Cl)cn2)C1 ZINC000150253883 350069590 /nfs/dbraw/zinc/06/95/90/350069590.db2.gz FLXGNJZXHLDCPI-MRVPVSSYSA-N 1 0 212.684 0.928 10 0 BCAERO CC(C)C(=[NH2+])NC1CCS(=O)(=O)CC1 ZINC000062990786 350100591 /nfs/dbraw/zinc/10/05/91/350100591.db2.gz NYXBBVCVDCUIAZ-UHFFFAOYSA-N 1 0 218.322 0.786 10 0 BCAERO CC(C)C(=[NH2+])NC[C@H]1CCS(=O)(=O)C1 ZINC000062991133 350100825 /nfs/dbraw/zinc/10/08/25/350100825.db2.gz RQFCAUNQZYJQLO-MRVPVSSYSA-N 1 0 218.322 0.644 10 0 BCAERO CCCNC(=O)NC[C@H]([NH3+])[C@H]1CCCOC1 ZINC000725255001 538050053 /nfs/dbraw/zinc/05/00/53/538050053.db2.gz NNNZFKMSTMBAFI-UWVGGRQHSA-N 1 0 229.324 0.450 10 0 BCAERO COC[C@@H](C)C(=O)NCC1CC[NH+](C)CC1 ZINC000103433961 323248225 /nfs/dbraw/zinc/24/82/25/323248225.db2.gz JKCIXOHXNRAQER-SNVBAGLBSA-N 1 0 228.336 0.727 10 0 BCAERO C[C@@H](O)CNC(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000218875167 350106111 /nfs/dbraw/zinc/10/61/11/350106111.db2.gz FMKONZZTEJTSQB-HRDYMLBCSA-N 1 0 200.282 0.001 10 0 BCAERO CC(C)NC(=O)NC[C@H]([NH3+])[C@@H]1CCCOC1 ZINC000725255256 538050351 /nfs/dbraw/zinc/05/03/51/538050351.db2.gz XNBDLEAARPQQLT-ZJUUUORDSA-N 1 0 229.324 0.448 10 0 BCAERO O=C(c1c[nH]c(=O)[nH]c1=O)[C@@H]1CCC[NH2+]C1 ZINC000616591653 350097467 /nfs/dbraw/zinc/09/74/67/350097467.db2.gz PMRXYGVDZCHEPR-ZCFIWIBFSA-N 1 0 223.232 0.070 10 0 BCAERO Cc1nn(C)c(C)c1C[NH2+][C@@H]1C[C@H]1CO ZINC000309169747 350115078 /nfs/dbraw/zinc/11/50/78/350115078.db2.gz KVPVRMMAILWIJN-GXSJLCMTSA-N 1 0 209.293 0.507 10 0 BCAERO [NH3+]Cc1cc(F)cc2c1C[C@@H](C(=O)[O-])[NH2+]C2 ZINC000725255465 538052029 /nfs/dbraw/zinc/05/20/29/538052029.db2.gz CHYJTJCGHRBOFN-JTQLQIEISA-N 1 0 224.235 0.383 10 0 BCAERO CC(C)NC(=O)NC[C@@H]([NH3+])[C@H]1CCCOC1 ZINC000725255255 538050983 /nfs/dbraw/zinc/05/09/83/538050983.db2.gz XNBDLEAARPQQLT-VHSXEESVSA-N 1 0 229.324 0.448 10 0 BCAERO CC[C@@H](NC(=O)C[C@H]([NH3+])C(C)C)C(=O)OC ZINC000303962249 350134703 /nfs/dbraw/zinc/13/47/03/350134703.db2.gz AITPPTZPENWYKG-DTWKUNHWSA-N 1 0 230.308 0.428 10 0 BCAERO CCCC[C@@]1(C)[C@H]([NH3+])CS(=O)(=O)N1CC ZINC000725256502 538057354 /nfs/dbraw/zinc/05/73/54/538057354.db2.gz QUACWBDQMIWXLB-ZJUUUORDSA-N 1 0 234.365 0.928 10 0 BCAERO CCC[C@@]1(C)[C@@H]([NH3+])CS(=O)(=O)N1CC ZINC000725256638 538057709 /nfs/dbraw/zinc/05/77/09/538057709.db2.gz ZKUPQJAMEXKVQB-IUCAKERBSA-N 1 0 220.338 0.538 10 0 BCAERO CCCC[C@]1(C)[C@H]([NH3+])CS(=O)(=O)N1CC ZINC000725256499 538057916 /nfs/dbraw/zinc/05/79/16/538057916.db2.gz QUACWBDQMIWXLB-NXEZZACHSA-N 1 0 234.365 0.928 10 0 BCAERO CC[NH2+]Cc1nnn(CC)c1-c1ccnn1C ZINC000725256825 538059119 /nfs/dbraw/zinc/05/91/19/538059119.db2.gz AWXIZJFEIOANMB-UHFFFAOYSA-N 1 0 234.307 0.808 10 0 BCAERO C[C@H](C[NH+](C)C)n1nnc(N)c1-c1ccnn1C ZINC000725257346 538064092 /nfs/dbraw/zinc/06/40/92/538064092.db2.gz KXZPNGJHUDLARY-MRVPVSSYSA-N 1 0 249.322 0.383 10 0 BCAERO Cc1ncc(C(=O)N[C@@H]2CCC[NH2+][C@@H]2C)[nH]1 ZINC000335021789 180133687 /nfs/dbraw/zinc/13/36/87/180133687.db2.gz FOUHCBSVUHCPTE-VXNVDRBHSA-N 1 0 222.292 0.588 10 0 BCAERO Cc1nc[nH]c1CNC(=O)[C@@H]1CCC[NH2+][C@H]1C ZINC000335662346 180119431 /nfs/dbraw/zinc/11/94/31/180119431.db2.gz JUCVQYVMEVVZPT-WCBMZHEXSA-N 1 0 236.319 0.722 10 0 BCAERO CC(C)[C@H]([NH3+])C(=O)NCCCC(C)(C)CO ZINC000236742018 191060293 /nfs/dbraw/zinc/06/02/93/191060293.db2.gz GFBQSDSTFQULFS-JTQLQIEISA-N 1 0 230.352 0.885 10 0 BCAERO Cc1ncc([C@@H]2NC(=O)CC[C@@H]2[NH3+])s1 ZINC000076643524 180173638 /nfs/dbraw/zinc/17/36/38/180173638.db2.gz UJXSIGRVTBOLPY-IMTBSYHQSA-N 1 0 211.290 0.730 10 0 BCAERO Cc1ncc(CN2CC[C@@H]([NH3+])C2=O)s1 ZINC000049660140 180145077 /nfs/dbraw/zinc/14/50/77/180145077.db2.gz WHCHSBWBAIFHJL-MRVPVSSYSA-N 1 0 211.290 0.511 10 0 BCAERO Cc1ncc(C[N@@H+]2C[C@@H](O)C[C@@H]2CO)s1 ZINC000184005222 180145216 /nfs/dbraw/zinc/14/52/16/180145216.db2.gz REFYHOFFDDVGIB-BDAKNGLRSA-N 1 0 228.317 0.379 10 0 BCAERO Cc1nccc(C[NH2+][C@@H]2CCN(C)C2)n1 ZINC000054790837 180191041 /nfs/dbraw/zinc/19/10/41/180191041.db2.gz VFEWPVOYJLEAEA-LLVKDONJSA-N 1 0 206.293 0.579 10 0 BCAERO Cc1nccc(CN[C@H]2CCC[NH2+]C2)n1 ZINC000043327367 180192614 /nfs/dbraw/zinc/19/26/14/180192614.db2.gz JSQNBAPIAAKFGW-JTQLQIEISA-N 1 0 206.293 0.627 10 0 BCAERO CCCNC(=O)[C@H](C)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261562331 535115016 /nfs/dbraw/zinc/11/50/16/535115016.db2.gz WFCZDPQBAMDUQK-WDEREUQCSA-N 1 0 241.379 0.960 10 0 BCAERO Cc1nccc(CN2CC[C@H]([NH3+])[C@H](C)C2)n1 ZINC000044994807 180186665 /nfs/dbraw/zinc/18/66/65/180186665.db2.gz OJZCKJRPULGOIT-SKDRFNHKSA-N 1 0 220.320 0.954 10 0 BCAERO Cc1nccc(C[NH2+]CCCC(=O)N(C)C)n1 ZINC000043448431 180189962 /nfs/dbraw/zinc/18/99/62/180189962.db2.gz CBMVDGXDMYZTDH-UHFFFAOYSA-N 1 0 236.319 0.743 10 0 BCAERO Nc1c(Br)cnn1C1C[NH2+]C1 ZINC000725258264 538072875 /nfs/dbraw/zinc/07/28/75/538072875.db2.gz MGLSUZZBNXNDSD-UHFFFAOYSA-N 1 0 217.070 0.372 10 0 BCAERO [NH3+]C[C@H]1CCCN1C(=O)CC[C@H]1CCCO1 ZINC000083525662 350236573 /nfs/dbraw/zinc/23/65/73/350236573.db2.gz VOFBFPCPHRSDLK-GHMZBOCLSA-N 1 0 226.320 0.895 10 0 BCAERO Cc1nc(CN2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)no1 ZINC000309271385 350248007 /nfs/dbraw/zinc/24/80/07/350248007.db2.gz DCOHICGRZBSUAB-AEJSXWLSSA-N 1 0 222.292 0.547 10 0 BCAERO CS(=O)(=O)C[C@@H]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000725261700 538086924 /nfs/dbraw/zinc/08/69/24/538086924.db2.gz DADDTTHNDVLWOC-BBBLOLIVSA-N 1 0 217.334 0.809 10 0 BCAERO Cc1nccn1CC[NH2+]CCN1CCOCC1 ZINC000049329912 180260801 /nfs/dbraw/zinc/26/08/01/180260801.db2.gz BZBCPMQXVLKOLE-UHFFFAOYSA-N 1 0 238.335 0.113 10 0 BCAERO Cc1nccn1[C@@H](c1cnn(C)c1)[C@@H](C)[NH3+] ZINC000043232532 180272063 /nfs/dbraw/zinc/27/20/63/180272063.db2.gz PXWJIVHUVMBTSM-LDYMZIIASA-N 1 0 219.292 0.862 10 0 BCAERO C([NH2+]C1CCOCC1)[C@@H]1COCCO1 ZINC000038060830 350300990 /nfs/dbraw/zinc/30/09/90/350300990.db2.gz AFKYQULHKMMEAQ-SNVBAGLBSA-N 1 0 201.266 0.170 10 0 BCAERO Cc1ncn([C@H](C[NH3+])c2cnn(C)c2)c1C ZINC000051925760 180289815 /nfs/dbraw/zinc/28/98/15/180289815.db2.gz WLUVHTBWOJCPIB-LLVKDONJSA-N 1 0 219.292 0.782 10 0 BCAERO C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CCC[C@H]2O)C1 ZINC000386241666 362953601 /nfs/dbraw/zinc/95/36/01/362953601.db2.gz PAFBNIPKQSVCOW-OUAUKWLOSA-N 1 0 226.320 0.215 10 0 BCAERO Cc1nccnc1S(=O)(=O)C[C@@H]1CCC[NH2+]1 ZINC000095068747 180280241 /nfs/dbraw/zinc/28/02/41/180280241.db2.gz OLCSFSQLBHNECB-VIFPVBQESA-N 1 0 241.316 0.311 10 0 BCAERO C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CCC[C@H]2O)C1 ZINC000386241665 362953852 /nfs/dbraw/zinc/95/38/52/362953852.db2.gz PAFBNIPKQSVCOW-GARJFASQSA-N 1 0 226.320 0.215 10 0 BCAERO Cc1nccnc1[S@](=O)C[C@@H]1CC[NH2+]C1 ZINC000095068800 180283297 /nfs/dbraw/zinc/28/32/97/180283297.db2.gz PHSHGSXJIHEOIW-PSLIRLAXSA-N 1 0 225.317 0.502 10 0 BCAERO Cc1nccnc1[S@@](=O)C[C@H]1CC[NH2+]C1 ZINC000095068801 180284481 /nfs/dbraw/zinc/28/44/81/180284481.db2.gz PHSHGSXJIHEOIW-BJOHPYRUSA-N 1 0 225.317 0.502 10 0 BCAERO COC(=O)C1(N2CC[NH2+]CC2)CCCC1 ZINC000037963703 350293325 /nfs/dbraw/zinc/29/33/25/350293325.db2.gz VVWOOAQEQGSMIQ-UHFFFAOYSA-N 1 0 212.293 0.377 10 0 BCAERO CC(C)(C)[C@@H](O)C[NH2+]CC(=O)NCC1CC1 ZINC000324347183 350293957 /nfs/dbraw/zinc/29/39/57/350293957.db2.gz ODUJHIMABLZXLP-JTQLQIEISA-N 1 0 228.336 0.509 10 0 BCAERO Cc1ncoc1C(=O)N1CCCC[C@H]1C[NH3+] ZINC000132578143 180297819 /nfs/dbraw/zinc/29/78/19/180297819.db2.gz UUPIBGXDSNELDJ-VIFPVBQESA-N 1 0 223.276 0.936 10 0 BCAERO Cc1ncoc1C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000129456011 180299734 /nfs/dbraw/zinc/29/97/34/180299734.db2.gz IQARZCIEBPWJRK-VXNVDRBHSA-N 1 0 223.276 0.853 10 0 BCAERO Cc1ncoc1C(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000132784726 180300012 /nfs/dbraw/zinc/30/00/12/180300012.db2.gz KSWAEMKNRFFFGW-DTWKUNHWSA-N 1 0 223.276 0.840 10 0 BCAERO COC(=O)C[C@](C)([NH3+])c1ccnc(OC)c1 ZINC000309410916 350371449 /nfs/dbraw/zinc/37/14/49/350371449.db2.gz YCAYXPGPQDHGII-NSHDSACASA-N 1 0 224.260 0.827 10 0 BCAERO COC(=O)C[C@H](C)[C@H]([NH3+])C(=O)OC(C)(C)C ZINC000309405501 350371561 /nfs/dbraw/zinc/37/15/61/350371561.db2.gz FGVVCQIASOCHJY-CBAPKCEASA-N 1 0 231.292 0.855 10 0 BCAERO Cc1ncsc1[C@@H](C)[NH2+][C@H](C)C(N)=O ZINC000037261524 180327585 /nfs/dbraw/zinc/32/75/85/180327585.db2.gz CMSUUNNFOIXUDQ-RNFRBKRXSA-N 1 0 213.306 0.976 10 0 BCAERO CN([C@@H]1CCOC1)[C@@]1(C[NH3+])CCSC1 ZINC000226488992 350435404 /nfs/dbraw/zinc/43/54/04/350435404.db2.gz LIVPOPRVZADZAF-NXEZZACHSA-N 1 0 216.350 0.542 10 0 BCAERO Cc1nn(C)c(C)c1NC(=O)[C@H]1CC[NH2+]C1 ZINC000062116309 180344055 /nfs/dbraw/zinc/34/40/55/180344055.db2.gz RDJDZVGFXXEFFU-VIFPVBQESA-N 1 0 222.292 0.585 10 0 BCAERO Cc1nn(C)c(C)c1[C@H]([NH2+]C(C)C)C(N)=O ZINC000037943562 180349737 /nfs/dbraw/zinc/34/97/37/180349737.db2.gz VLOJCCVUDHWGSI-JTQLQIEISA-N 1 0 224.308 0.561 10 0 BCAERO Cc1nn(C)c(C)c1[C@H](C)N(C)CC[NH3+] ZINC000054417233 180349862 /nfs/dbraw/zinc/34/98/62/180349862.db2.gz FWYMODBNNWOQDL-VIFPVBQESA-N 1 0 210.325 0.988 10 0 BCAERO Cc1nn(C)c(N2CCOC[C@@H]2C)c1C(N)=[NH2+] ZINC000104316565 180357107 /nfs/dbraw/zinc/35/71/07/180357107.db2.gz VGKONYYLHBWAQV-ZETCQYMHSA-N 1 0 237.307 0.238 10 0 BCAERO CCOC1CC([NH2+]C[C@@H]2CN(C)CCO2)C1 ZINC000162799127 350431169 /nfs/dbraw/zinc/43/11/69/350431169.db2.gz XYCPSAAYRSHYRS-HTAVTVPLSA-N 1 0 228.336 0.474 10 0 BCAERO Cc1nn(C)cc1C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000113170020 180366937 /nfs/dbraw/zinc/36/69/37/180366937.db2.gz XXXZFMWVJKXREO-JTQLQIEISA-N 1 0 236.319 0.505 10 0 BCAERO C[C@H](C[NH3+])S(=O)(=O)N1CCSC[C@@H]1C ZINC000226898494 350463311 /nfs/dbraw/zinc/46/33/11/350463311.db2.gz SSVDTYMTTBSUHW-JGVFFNPUSA-N 1 0 238.378 0.101 10 0 BCAERO Cc1nn(C)cc1C(=O)N[C@H]1CCCC[C@H]1[NH3+] ZINC000185434429 180370788 /nfs/dbraw/zinc/37/07/88/180370788.db2.gz WUYUMNGMIDERSM-MNOVXSKESA-N 1 0 236.319 0.728 10 0 BCAERO O=Cc1ccc(-c2cnnn2C2C[NH2+]C2)cc1 ZINC000725266149 538093717 /nfs/dbraw/zinc/09/37/17/538093717.db2.gz QDPPYSMSPZAKHO-UHFFFAOYSA-N 1 0 228.255 0.902 10 0 BCAERO Cc1nnc(-n2cncn2)c(C[NH3+])c1C ZINC000040290478 180396064 /nfs/dbraw/zinc/39/60/64/180396064.db2.gz AAVYLCSXRHLVHZ-UHFFFAOYSA-N 1 0 204.237 0.133 10 0 BCAERO Cn1cncc1-c1cnnn1[C@H]1CCC[NH2+]C1 ZINC000725266157 538093982 /nfs/dbraw/zinc/09/39/82/538093982.db2.gz QTAQLPCONFGDII-VIFPVBQESA-N 1 0 232.291 0.603 10 0 BCAERO CCCCOC[C@@H](O)C[NH2+]C[C@@H]1COCCO1 ZINC000227889644 350517679 /nfs/dbraw/zinc/51/76/79/350517679.db2.gz PEQSYHBHYRDBQO-NWDGAFQWSA-N 1 0 247.335 0.169 10 0 BCAERO Cc1nn(CC(=O)OC(C)C)c(C)c1C[NH3+] ZINC000043446744 180386024 /nfs/dbraw/zinc/38/60/24/180386024.db2.gz JUQLBBWJYHEASX-UHFFFAOYSA-N 1 0 225.292 0.910 10 0 BCAERO CC[N@@H+]1CCC[C@@H](NC(=O)COC)C1 ZINC000059892112 350495681 /nfs/dbraw/zinc/49/56/81/350495681.db2.gz WMYSWLXMIHJZDQ-SECBINFHSA-N 1 0 200.282 0.233 10 0 BCAERO Cc1nn(CCC(=O)NCC[NH3+])cc1Cl ZINC000002538259 180388156 /nfs/dbraw/zinc/38/81/56/180388156.db2.gz BBXIEOIEYHRQPW-UHFFFAOYSA-N 1 0 230.699 0.310 10 0 BCAERO Cc1nn(CCN2CCOCC2)c(C)c1C[NH3+] ZINC000020397155 180388870 /nfs/dbraw/zinc/38/88/70/180388870.db2.gz NTJMOHGRCAPIIK-UHFFFAOYSA-N 1 0 238.335 0.291 10 0 BCAERO Cc1nn(CC[C@@H]([NH3+])C(N)=O)c(C)c1C ZINC000062536559 180388894 /nfs/dbraw/zinc/38/88/94/180388894.db2.gz XORQTZRZFVFAIQ-SECBINFHSA-N 1 0 210.281 0.011 10 0 BCAERO Cc1nn(C[C@H]2CCOC2)c(C)c1C[NH3+] ZINC000054716396 180391170 /nfs/dbraw/zinc/39/11/70/180391170.db2.gz DQVCVCKZILPLFR-SNVBAGLBSA-N 1 0 209.293 0.995 10 0 BCAERO Cc1c(CNCCC[NH2+]C2CC2)cnn1C ZINC000163424941 350522348 /nfs/dbraw/zinc/52/23/48/350522348.db2.gz GYNKQYISPHVPPO-UHFFFAOYSA-N 1 0 222.336 0.960 10 0 BCAERO c1nnn(C2C[NH2+]C2)c1-c1cc(C2CC2)no1 ZINC000725266212 538095524 /nfs/dbraw/zinc/09/55/24/538095524.db2.gz YTPBEJMSYRNEHP-UHFFFAOYSA-N 1 0 231.259 0.955 10 0 BCAERO [NH3+]CCN1CCO[C@H](n2cccn2)CC1 ZINC000616593355 350580309 /nfs/dbraw/zinc/58/03/09/350580309.db2.gz JPYNJKNWKNKJIQ-JTQLQIEISA-N 1 0 210.281 0.063 10 0 BCAERO C[C@@H](O)[C@@H]([NH3+])c1ccc2c(c1)OCCO2 ZINC000041218306 350580518 /nfs/dbraw/zinc/58/05/18/350580518.db2.gz QUVCLCHCDNQYPA-RDDDGLTNSA-N 1 0 209.245 0.838 10 0 BCAERO [NH3+]CCN1CCO[C@@H](c2cccnc2)CC1 ZINC000616594017 350586955 /nfs/dbraw/zinc/58/69/55/350586955.db2.gz BUXBDVHNMUOERO-GFCCVEGCSA-N 1 0 221.304 0.804 10 0 BCAERO Nc1cccc([C@H]2CCN(CC[NH3+])CCO2)n1 ZINC000616594302 350593113 /nfs/dbraw/zinc/59/31/13/350593113.db2.gz FDQOTWBZTKUPDD-LLVKDONJSA-N 1 0 236.319 0.386 10 0 BCAERO Cc1nnc(N2CC[C@](C)(C[NH3+])C2)nc1C ZINC000235964139 180427809 /nfs/dbraw/zinc/42/78/09/180427809.db2.gz YZJBNYFXHBPBJO-LLVKDONJSA-N 1 0 221.308 0.664 10 0 BCAERO [NH3+]CCN1CCO[C@@H](c2ncc[nH]2)CC1 ZINC000616595124 350601882 /nfs/dbraw/zinc/60/18/82/350601882.db2.gz KHXRMRINVZCRKA-SECBINFHSA-N 1 0 210.281 0.132 10 0 BCAERO CCOC(=O)c1n[nH]nc1[C@H]1CC[NH2+]C[C@H]1C ZINC000725266616 538097123 /nfs/dbraw/zinc/09/71/23/538097123.db2.gz VAKCYZYNRDEUTA-SFYZADRCSA-N 1 0 238.291 0.694 10 0 BCAERO C[N@@H+]1CCC[C@H]1CN(CCO)CC(F)F ZINC000386355718 362971699 /nfs/dbraw/zinc/97/16/99/362971699.db2.gz VIFSKTZQEYHQOM-VIFPVBQESA-N 1 0 222.279 0.640 10 0 BCAERO C[C@H](C[NH3+])S(=O)(=O)N1CCSC[C@H]1C ZINC000251863874 362971755 /nfs/dbraw/zinc/97/17/55/362971755.db2.gz SSVDTYMTTBSUHW-HTQZYQBOSA-N 1 0 238.378 0.101 10 0 BCAERO COCC[NH2+]CC[C@@H](CO)[C@H]1COC(C)(C)O1 ZINC000725266922 538097308 /nfs/dbraw/zinc/09/73/08/538097308.db2.gz MLPOPXKCDGOJEQ-WDEREUQCSA-N 1 0 247.335 0.373 10 0 BCAERO COCC[NH2+]CC[C@H](CO)[C@H]1COC(C)(C)O1 ZINC000725266919 538097325 /nfs/dbraw/zinc/09/73/25/538097325.db2.gz MLPOPXKCDGOJEQ-GHMZBOCLSA-N 1 0 247.335 0.373 10 0 BCAERO OCC[N@@H+]1CCO[C@@H](c2ccnnc2)CC1 ZINC000616595475 350608493 /nfs/dbraw/zinc/60/84/93/350608493.db2.gz MSTXERQBACKNAD-LLVKDONJSA-N 1 0 223.276 0.232 10 0 BCAERO OCC[N@@H+]1CCO[C@@H](n2cccn2)CC1 ZINC000616595559 350608995 /nfs/dbraw/zinc/60/89/95/350608995.db2.gz NIMROTCYNCWUPX-SNVBAGLBSA-N 1 0 211.265 0.096 10 0 BCAERO OCC[NH+]1CCC(Nc2ncccn2)CC1 ZINC000309499858 350614175 /nfs/dbraw/zinc/61/41/75/350614175.db2.gz LGASTKNGMVFESK-UHFFFAOYSA-N 1 0 222.292 0.345 10 0 BCAERO CS(=O)(=O)N1CCCCC[C@H]1C[NH3+] ZINC000125068605 538098092 /nfs/dbraw/zinc/09/80/92/538098092.db2.gz UOESOOGMXCUMHM-QMMMGPOBSA-N 1 0 206.311 0.149 10 0 BCAERO [NH3+]CCN1CCO[C@H](c2ccnnc2)CC1 ZINC000616596128 350630475 /nfs/dbraw/zinc/63/04/75/350630475.db2.gz YYNHWSKBIKXYAE-NSHDSACASA-N 1 0 222.292 0.199 10 0 BCAERO Nc1ccccc1[C@@H]1CCOCCN1CC[NH3+] ZINC000616598702 350688461 /nfs/dbraw/zinc/68/84/61/350688461.db2.gz UHAITSRJSPCVPO-ZDUSSCGKSA-N 1 0 235.331 0.991 10 0 BCAERO C[NH2+][C@H](C)C(=O)N[C@]1(C)CCO[C@@H]1C ZINC000234432771 350697699 /nfs/dbraw/zinc/69/76/99/350697699.db2.gz DOQRVFYEFWNJJE-NQMVMOMDSA-N 1 0 200.282 0.278 10 0 BCAERO OCC[N@@H+]1CCCO[C@@H](c2cncnc2)C1 ZINC000616599124 350720216 /nfs/dbraw/zinc/72/02/16/350720216.db2.gz QVDRGWZJQISQPN-LLVKDONJSA-N 1 0 223.276 0.232 10 0 BCAERO CCNC(=S)N1CC[C@H]([NH+](C)C)[C@@H]1C ZINC000306674845 350824497 /nfs/dbraw/zinc/82/44/97/350824497.db2.gz RIQDXWTZIXAGMD-IUCAKERBSA-N 1 0 215.366 0.905 10 0 BCAERO CC[N@@H+]1CCC[C@@H]2CCC[C@H](S(N)(=O)=O)[C@H]21 ZINC000238856540 350775476 /nfs/dbraw/zinc/77/54/76/350775476.db2.gz WEJXJTDMDMMTMY-DCAQKATOSA-N 1 0 246.376 0.928 10 0 BCAERO CN1CC[NH2+][C@H](c2ccccc2CO)C1 ZINC000616604118 350792459 /nfs/dbraw/zinc/79/24/59/350792459.db2.gz UWTRJNQCGYRBSK-LBPRGKRZSA-N 1 0 206.289 0.755 10 0 BCAERO NC(=O)c1ccc([C@@H]2CCC[N@@H+]2CCO)cc1 ZINC000616607751 350801777 /nfs/dbraw/zinc/80/17/77/350801777.db2.gz MCSCRTFUDUMIOD-LBPRGKRZSA-N 1 0 234.299 0.915 10 0 BCAERO CC(C)[C@@H](C)[N@@H+]1CCC[C@](O)(CO)C1 ZINC000306674994 350823623 /nfs/dbraw/zinc/82/36/23/350823623.db2.gz RRVMSIZOPQFOQO-GHMZBOCLSA-N 1 0 201.310 0.850 10 0 BCAERO CC[N@@H+]1CCC[C@@H](S(N)(=O)=O)CC1 ZINC000616609589 350803867 /nfs/dbraw/zinc/80/38/67/350803867.db2.gz CSODAKQUENOPKA-MRVPVSSYSA-N 1 0 206.311 0.149 10 0 BCAERO OCC[N@@H+]1CCCC[C@@H]1c1cccnn1 ZINC000616614493 350834300 /nfs/dbraw/zinc/83/43/00/350834300.db2.gz RCURSQFSCCBLBZ-LLVKDONJSA-N 1 0 207.277 0.996 10 0 BCAERO [NH3+]CCNC(=O)[C@@H]1CCCCC1(F)F ZINC000306701134 350850587 /nfs/dbraw/zinc/85/05/87/350850587.db2.gz GLUNAGBIJUFWSU-ZETCQYMHSA-N 1 0 206.236 0.887 10 0 BCAERO [NH3+][C@@H]1C[C@@H]1NC(=O)c1c[nH]c(Br)c1 ZINC000306710481 350859440 /nfs/dbraw/zinc/85/94/40/350859440.db2.gz TUJJIPRFDKBKTJ-RITPCOANSA-N 1 0 244.092 0.607 10 0 BCAERO [NH3+][C@@H]1CCCN(CC(=O)[C@H]2CCOC2)C1 ZINC000252828585 350916625 /nfs/dbraw/zinc/91/66/25/350916625.db2.gz JFMHQKQRVWIOSB-VHSXEESVSA-N 1 0 212.293 0.015 10 0 BCAERO C[C@@H]1C[C@H](C)[C@@H](C)[N@H+](C[C@H](N)CO)C1 ZINC000253106039 350918634 /nfs/dbraw/zinc/91/86/34/350918634.db2.gz UFFLQVXFFCBYAY-YTWAJWBKSA-N 1 0 200.326 0.672 10 0 BCAERO C[C@@H](C(N)=S)[N@@H+]1CCC[C@](C)(O)C1 ZINC000253081561 350918893 /nfs/dbraw/zinc/91/88/93/350918893.db2.gz WKGOHNSRFHXBRZ-CBAPKCEASA-N 1 0 202.323 0.508 10 0 BCAERO [NH3+]CCN(Cc1ccccc1)[C@H]1COC[C@@H]1O ZINC000306748417 350934721 /nfs/dbraw/zinc/93/47/21/350934721.db2.gz KZYGUGTXYLNLPR-STQMWFEESA-N 1 0 236.315 0.207 10 0 BCAERO COc1nc([C@H](O)[C@H]2CCC[NH2+]2)cs1 ZINC000306712096 350872714 /nfs/dbraw/zinc/87/27/14/350872714.db2.gz TUDYHQAIFQNAPO-HTRCEHHLSA-N 1 0 214.290 0.937 10 0 BCAERO Cc1nc(CN(C)CC[N@H+](C)CCO)cs1 ZINC000623091674 350876198 /nfs/dbraw/zinc/87/61/98/350876198.db2.gz NFGSCGTXXGYOFF-UHFFFAOYSA-N 1 0 243.376 0.807 10 0 BCAERO OCC[N@@H+]1CCC[C@H](c2ccnnc2)C1 ZINC000616618198 350884200 /nfs/dbraw/zinc/88/42/00/350884200.db2.gz RLBSBRZBGZPFPN-NSHDSACASA-N 1 0 207.277 0.648 10 0 BCAERO COC(=O)CCNC(=O)C[C@@H]([NH3+])C(C)C ZINC000128994282 350962349 /nfs/dbraw/zinc/96/23/49/350962349.db2.gz NRIHZODDPZYABS-MRVPVSSYSA-N 1 0 216.281 0.039 10 0 BCAERO CCOC(=O)CCNC(=O)C[C@H]([NH3+])C(C)C ZINC000129025260 350966193 /nfs/dbraw/zinc/96/61/93/350966193.db2.gz BOYVWOOBEUAJQH-VIFPVBQESA-N 1 0 230.308 0.429 10 0 BCAERO C[C@@H](Cn1ccc(=O)[nH]c1=S)[NH+](C)C ZINC000052313193 350980004 /nfs/dbraw/zinc/98/00/04/350980004.db2.gz JRTJSAXUKAHZHS-ZETCQYMHSA-N 1 0 213.306 0.856 10 0 BCAERO CC(C)(CO)S[C@@H]1COCC[C@@H]1[NH3+] ZINC000306761899 350987701 /nfs/dbraw/zinc/98/77/01/350987701.db2.gz GGYHDHAXSBBKSO-JGVFFNPUSA-N 1 0 205.323 0.607 10 0 BCAERO O=C1C[NH2+]CCCN1Cc1cncs1 ZINC000159753608 350994488 /nfs/dbraw/zinc/99/44/88/350994488.db2.gz WHSNXGDFYQWVJJ-UHFFFAOYSA-N 1 0 211.290 0.465 10 0 BCAERO [NH3+]CCC1CCN(c2nccn3cnnc23)CC1 ZINC000079471629 350946066 /nfs/dbraw/zinc/94/60/66/350946066.db2.gz DAZAOANAPDYOFM-UHFFFAOYSA-N 1 0 246.318 0.690 10 0 BCAERO CC[C@H](C)NC(=O)[C@@]1(C)COC[C@H]1[NH3+] ZINC000251939195 362990557 /nfs/dbraw/zinc/99/05/57/362990557.db2.gz SHMDNUMZVIIMRW-XKSSXDPKSA-N 1 0 200.282 0.265 10 0 BCAERO CC[C@H](O)CN1CC[S@](=O)C[C@@H]1C ZINC000306779662 351019963 /nfs/dbraw/zinc/01/99/63/351019963.db2.gz YGVOHEWLQRUMDT-RVBZMBCESA-N 1 0 205.323 0.210 10 0 BCAERO C[C@@H]1SCC[C@H]1N1CC[C@@H]([NH3+])C1=O ZINC000306782505 351030483 /nfs/dbraw/zinc/03/04/83/351030483.db2.gz KIFDHAFXVYUVDN-XLPZGREQSA-N 1 0 200.307 0.440 10 0 BCAERO C[C@@H]1SCC[C@H]1N1CC[C@H]([NH3+])C1=O ZINC000306782502 351030552 /nfs/dbraw/zinc/03/05/52/351030552.db2.gz KIFDHAFXVYUVDN-BIIVOSGPSA-N 1 0 200.307 0.440 10 0 BCAERO NS(=O)(=O)c1ccc(C[NH3+])c(Cl)c1 ZINC000159920275 351037802 /nfs/dbraw/zinc/03/78/02/351037802.db2.gz BMVGHGZJOPHSPV-UHFFFAOYSA-N 1 0 220.681 0.446 10 0 BCAERO Cc1nnsc1CN1CC[C@H]([NH3+])[C@H]1C ZINC000306789486 351039336 /nfs/dbraw/zinc/03/93/36/351039336.db2.gz TWVFVGMCPZEEKY-SFYZADRCSA-N 1 0 212.322 0.768 10 0 BCAERO CC(C)[S@](=O)N1CC[C@](C)(C[NH3+])C1 ZINC000306793506 351042208 /nfs/dbraw/zinc/04/22/08/351042208.db2.gz FCDHRDVECCQVLD-RNCFNFMXSA-N 1 0 204.339 0.729 10 0 BCAERO CCCCOC[C@H](O)C[N@@H+]1CC[C@@H](O)[C@H](C)C1 ZINC000336700957 351044664 /nfs/dbraw/zinc/04/46/64/351044664.db2.gz IOARKNXTFDHEPF-JHJVBQTASA-N 1 0 245.363 0.867 10 0 BCAERO COc1ccc([C@]2(CCO)CC[NH2+]C2)cn1 ZINC000167955984 351050196 /nfs/dbraw/zinc/05/01/96/351050196.db2.gz RXPMMGWCBOBBAY-LBPRGKRZSA-N 1 0 222.288 0.704 10 0 BCAERO Cn1ncc(Br)c1[C@H]1C[C@H]1[NH3+] ZINC000306797069 351052726 /nfs/dbraw/zinc/05/27/26/351052726.db2.gz XMPQNGXASXBRBY-UJURSFKZSA-N 1 0 216.082 0.997 10 0 BCAERO CCC[S@@](=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000306806808 351059438 /nfs/dbraw/zinc/05/94/38/351059438.db2.gz KZDYMBJMDOFVBZ-VYUIOLGVSA-N 1 0 202.323 0.211 10 0 BCAERO CCC[S@](=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000306808727 351060174 /nfs/dbraw/zinc/06/01/74/351060174.db2.gz PXTZSFIKWSXJDW-RWEMILLDSA-N 1 0 204.339 0.742 10 0 BCAERO CN(C[C@@H]1CCC[N@@H+]1C)C1=NC(=O)CS1 ZINC000306809743 351064046 /nfs/dbraw/zinc/06/40/46/351064046.db2.gz SMOHTLOQAOOYDY-QMMMGPOBSA-N 1 0 227.333 0.642 10 0 BCAERO NC(=[NH2+])N[C@H](CO)c1ccc(Br)o1 ZINC000306778385 351013620 /nfs/dbraw/zinc/01/36/20/351013620.db2.gz OSFXVHBSOJUNOS-SCSAIBSYSA-N 1 0 248.080 0.559 10 0 BCAERO [NH3+]CCN1CCCC[C@@H](c2cn[nH]c2)C1 ZINC000616630828 351103835 /nfs/dbraw/zinc/10/38/35/351103835.db2.gz UWRFTMKONMYTQV-SNVBAGLBSA-N 1 0 208.309 0.938 10 0 BCAERO c1cc2ccnnc2c([C@H]2C[NH2+]CCN2)c1 ZINC000616630957 351104663 /nfs/dbraw/zinc/10/46/63/351104663.db2.gz OQGYVUALZBKVAI-LLVKDONJSA-N 1 0 214.272 0.864 10 0 BCAERO CC(C)(C)OC(=O)N1CCN[C@@H](CC[NH3+])C1 ZINC000616631287 351105408 /nfs/dbraw/zinc/10/54/08/351105408.db2.gz WGTDAGKBJOKWDT-VIFPVBQESA-N 1 0 229.324 0.544 10 0 BCAERO CC(C)(C)[N@@H+]1CCN[C@@H](c2c[nH]nn2)C1 ZINC000616631660 351105810 /nfs/dbraw/zinc/10/58/10/351105810.db2.gz AVCHKPLRUVEDTJ-SECBINFHSA-N 1 0 209.297 0.550 10 0 BCAERO [NH3+]CCN1CCC[C@H](c2nnc[nH]2)CC1 ZINC000616627021 351107109 /nfs/dbraw/zinc/10/71/09/351107109.db2.gz AXTAOBGBATTZMY-VIFPVBQESA-N 1 0 209.297 0.333 10 0 BCAERO CC(C)[N@@H+]1CCN[C@H](c2ncccn2)C1 ZINC000616632001 351110026 /nfs/dbraw/zinc/11/00/26/351110026.db2.gz CWSBETPNYCMQPM-JTQLQIEISA-N 1 0 206.293 0.831 10 0 BCAERO CN1CC[NH2+][C@@H](c2cccc(CO)c2)C1 ZINC000616631899 351110128 /nfs/dbraw/zinc/11/01/28/351110128.db2.gz IGGOJCRTRJNITG-GFCCVEGCSA-N 1 0 206.289 0.755 10 0 BCAERO CC[N@@H+]1CCN[C@H](c2cccnc2N)C1 ZINC000616632859 351113247 /nfs/dbraw/zinc/11/32/47/351113247.db2.gz RGVFIEITOGZPBC-JTQLQIEISA-N 1 0 206.293 0.630 10 0 BCAERO OCCN1CC[NH2+][C@H](c2ccncc2)C1 ZINC000616633982 351116176 /nfs/dbraw/zinc/11/61/76/351116176.db2.gz IMDMANJBXVCDRM-NSHDSACASA-N 1 0 207.277 0.020 10 0 BCAERO OCCN1CC[NH2+][C@H](c2ccccn2)C1 ZINC000616634144 351116196 /nfs/dbraw/zinc/11/61/96/351116196.db2.gz MEUCFEYCLOEYAN-NSHDSACASA-N 1 0 207.277 0.020 10 0 BCAERO CC(C)(C)[N@@H+]1CCN[C@H](c2conn2)C1 ZINC000616634154 351116341 /nfs/dbraw/zinc/11/63/41/351116341.db2.gz MKPMZLJTTOBCJT-QMMMGPOBSA-N 1 0 210.281 0.814 10 0 BCAERO Nc1cccc([C@@H]2C[NH2+]CCN2CCO)c1 ZINC000616636554 351126779 /nfs/dbraw/zinc/12/67/79/351126779.db2.gz VWKNREHIOJMBFC-LBPRGKRZSA-N 1 0 221.304 0.207 10 0 BCAERO CN(Cc1nccn1C)C(=O)[C@]1(C)CCC[NH2+]1 ZINC000079518168 351070368 /nfs/dbraw/zinc/07/03/68/351070368.db2.gz FJTPTFVBPWDOFU-LBPRGKRZSA-N 1 0 236.319 0.521 10 0 BCAERO C[C@@H]1C[NH2+]CCN1CCNC(=O)OC(C)(C)C ZINC000616636547 351126837 /nfs/dbraw/zinc/12/68/37/351126837.db2.gz VPEPECMCNZHRID-SNVBAGLBSA-N 1 0 243.351 0.805 10 0 BCAERO [NH3+][C@H]1CCN([S@](=O)C2CCCC2)C1 ZINC000306811158 351077865 /nfs/dbraw/zinc/07/78/65/351077865.db2.gz WCJXWEXSBCBNOR-ISVAXAHUSA-N 1 0 202.323 0.626 10 0 BCAERO Nc1ncccc1[C@@H]1CCCN(CC[NH3+])C1 ZINC000616621777 351083959 /nfs/dbraw/zinc/08/39/59/351083959.db2.gz YKIGAFWGRWVNCJ-SNVBAGLBSA-N 1 0 220.320 0.802 10 0 BCAERO C[C@@H]1[C@@H]([NH2+]C2CSC2)CCS1(=O)=O ZINC000306818888 351085982 /nfs/dbraw/zinc/08/59/82/351085982.db2.gz FZNOYFGWAUAARR-SVRRBLITSA-N 1 0 221.347 0.267 10 0 BCAERO CCOC(=O)[C@@H]1CCCN(CC[NH3+])CC1 ZINC000616629202 351100299 /nfs/dbraw/zinc/10/02/99/351100299.db2.gz TXSNZLFSQPRSHO-SNVBAGLBSA-N 1 0 214.309 0.610 10 0 BCAERO O=S1(=O)CC([NH2+][C@H]2CC[C@@H]3C[C@@H]32)C1 ZINC000306839501 351149222 /nfs/dbraw/zinc/14/92/22/351149222.db2.gz YQFHLBSQIBMBQS-YEPSODPASA-N 1 0 201.291 0.172 10 0 BCAERO O=S1(=O)CC([NH2+][C@@H]2CC[C@@H]3C[C@@H]32)C1 ZINC000306839500 351149660 /nfs/dbraw/zinc/14/96/60/351149660.db2.gz YQFHLBSQIBMBQS-BWVDBABLSA-N 1 0 201.291 0.172 10 0 BCAERO [NH3+]CCN1CCCO[C@@H](c2cccnc2)C1 ZINC000616655175 351192846 /nfs/dbraw/zinc/19/28/46/351192846.db2.gz VQTLPKIUGSYRPE-GFCCVEGCSA-N 1 0 221.304 0.804 10 0 BCAERO O=C([C@@H]1CC[NH2+]1)N1CCC=C(Br)C1 ZINC000404222115 351163501 /nfs/dbraw/zinc/16/35/01/351163501.db2.gz VNUBOEGUZYQVSV-QMMMGPOBSA-N 1 0 245.120 0.859 10 0 BCAERO OCC[N@@H+]1CCCO[C@@H](c2ccncc2)C1 ZINC000616653697 351193875 /nfs/dbraw/zinc/19/38/75/351193875.db2.gz VNEPARHPKCRSHY-GFCCVEGCSA-N 1 0 222.288 0.837 10 0 BCAERO CCOC(=O)[C@@H]1C[N@H+](CC)CCCO1 ZINC000616648785 351177211 /nfs/dbraw/zinc/17/72/11/351177211.db2.gz BYRMSHMMYFTCEP-VIFPVBQESA-N 1 0 201.266 0.660 10 0 BCAERO CC(C)C[S@](=O)[C@H]1C[NH2+]CC[C@@]1(C)O ZINC000306821175 351127289 /nfs/dbraw/zinc/12/72/89/351127289.db2.gz JUGBVSDDQDFQFW-RBZYPMLTSA-N 1 0 219.350 0.504 10 0 BCAERO OCC[N@@H+]1CCCC[C@@H](c2conn2)C1 ZINC000616652234 351190929 /nfs/dbraw/zinc/19/09/29/351190929.db2.gz FQYHWMXUHFATLA-SECBINFHSA-N 1 0 211.265 0.631 10 0 BCAERO NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CC12COC2 ZINC000306825231 351134825 /nfs/dbraw/zinc/13/48/25/351134825.db2.gz WKJCUQFYTFYABH-GFCCVEGCSA-N 1 0 246.310 0.620 10 0 BCAERO CC(=O)N1CC[NH2+]C[C@@H]1c1ccc(C(N)=O)cc1 ZINC000616637643 351135190 /nfs/dbraw/zinc/13/51/90/351135190.db2.gz ANROKBCBBMWNMX-GFCCVEGCSA-N 1 0 247.298 0.278 10 0 BCAERO NC(=O)N1CC[NH2+]C[C@@H]1c1ccccc1CCO ZINC000616638059 351135448 /nfs/dbraw/zinc/13/54/48/351135448.db2.gz GAINRMZMQPVEKA-GFCCVEGCSA-N 1 0 249.314 0.246 10 0 BCAERO CC(C)N1CC[NH2+]C[C@@H]1c1cncnc1 ZINC000616637839 351135997 /nfs/dbraw/zinc/13/59/97/351135997.db2.gz RUGGXGMLZREAIG-LLVKDONJSA-N 1 0 206.293 0.831 10 0 BCAERO CCN1CC[NH2+]C[C@@H]1c1cccc(C(N)=O)c1 ZINC000616637711 351136285 /nfs/dbraw/zinc/13/62/85/351136285.db2.gz QLTDOGQCZRSDDN-GFCCVEGCSA-N 1 0 233.315 0.752 10 0 BCAERO CN1CC[NH2+]C[C@@H]1c1ccc(CCO)cc1 ZINC000616637964 351136456 /nfs/dbraw/zinc/13/64/56/351136456.db2.gz TYVIVNPJDKXITQ-CYBMUJFWSA-N 1 0 220.316 0.798 10 0 BCAERO CC(=O)N1CC[NH2+]C[C@H]1c1ccc(CCO)cc1 ZINC000616638241 351138209 /nfs/dbraw/zinc/13/82/09/351138209.db2.gz IDQLTQZSPURKPN-AWEZNQCLSA-N 1 0 248.326 0.714 10 0 BCAERO NC(=O)N1CC[NH2+]C[C@H]1c1ccc(N)cc1 ZINC000616638738 351141425 /nfs/dbraw/zinc/14/14/25/351141425.db2.gz IQIWXUQHVAKLBY-JTQLQIEISA-N 1 0 220.276 0.294 10 0 BCAERO NC(=O)N1CC[NH2+]C[C@H]1c1ccccc1N ZINC000616638923 351142023 /nfs/dbraw/zinc/14/20/23/351142023.db2.gz NORWWPAAVYDTCP-JTQLQIEISA-N 1 0 220.276 0.294 10 0 BCAERO NC(=O)N1CC[NH2+]C[C@@H]1c1cccc(CCO)c1 ZINC000616638857 351142441 /nfs/dbraw/zinc/14/24/41/351142441.db2.gz JJAAIIPPSDWUIR-GFCCVEGCSA-N 1 0 249.314 0.246 10 0 BCAERO CC(=O)N1CC[NH2+]C[C@@H]1c1ccccc1CO ZINC000616638957 351142521 /nfs/dbraw/zinc/14/25/21/351142521.db2.gz MFWNIPZNXFVWLW-CYBMUJFWSA-N 1 0 234.299 0.672 10 0 BCAERO Cc1noc(CSC2=[NH+]C[C@H](C)N2)n1 ZINC000306861506 351240825 /nfs/dbraw/zinc/24/08/25/351240825.db2.gz FMQODVPSDQLPSV-YFKPBYRVSA-N 1 0 212.278 0.959 10 0 BCAERO [NH3+]C[C@H]1CN(CCO)c2ccccc2N1 ZINC000616681986 351252145 /nfs/dbraw/zinc/25/21/45/351252145.db2.gz DCQDMGNMLQVUHI-VIFPVBQESA-N 1 0 207.277 0.238 10 0 BCAERO CC(=O)N1c2ccccc2NC[C@@H]1C[NH3+] ZINC000616685248 351254366 /nfs/dbraw/zinc/25/43/66/351254366.db2.gz RHIQGGLDKSVFDS-VIFPVBQESA-N 1 0 205.261 0.792 10 0 BCAERO CC(=O)[C@H]1CNc2ccccc2N1CC[NH3+] ZINC000616685461 351257833 /nfs/dbraw/zinc/25/78/33/351257833.db2.gz VHUWPRDGGRTJIF-GFCCVEGCSA-N 1 0 219.288 0.835 10 0 BCAERO NC(=O)N1CCCO[C@@H](n2ccnc2)C1 ZINC000616654426 351195972 /nfs/dbraw/zinc/19/59/72/351195972.db2.gz BQGRSZKXCMPBAW-MRVPVSSYSA-N 1 0 210.237 0.183 10 0 BCAERO [NH3+]CCN1CC[NH2+][C@@H](c2ccc(C(=O)[O-])cc2)C1 ZINC000616654702 351196681 /nfs/dbraw/zinc/19/66/81/351196681.db2.gz NCIJEIAVJLOUKH-GFCCVEGCSA-N 1 0 249.314 0.290 10 0 BCAERO [NH3+]CCN1CCCO[C@@H](c2ccno2)C1 ZINC000616654571 351196787 /nfs/dbraw/zinc/19/67/87/351196787.db2.gz IAYAXNCCAFFKDQ-SNVBAGLBSA-N 1 0 211.265 0.397 10 0 BCAERO C[N@@H+]1CCOC[C@H](c2ccc(C(N)=O)cc2)C1 ZINC000616658002 351199694 /nfs/dbraw/zinc/19/96/94/351199694.db2.gz HQAOWXVHLQVLSP-GFCCVEGCSA-N 1 0 234.299 0.831 10 0 BCAERO CC(C)[N@@H+]1CCOC[C@@H](c2cnno2)C1 ZINC000616658940 351205246 /nfs/dbraw/zinc/20/52/46/351205246.db2.gz AEMRIJYMVMNKAR-VIFPVBQESA-N 1 0 211.265 0.894 10 0 BCAERO Nc1cccc([C@@H]2COCCN(CC[NH3+])C2)c1 ZINC000616659916 351209004 /nfs/dbraw/zinc/20/90/04/351209004.db2.gz GMXRZWZFAWIWIA-LBPRGKRZSA-N 1 0 235.331 0.643 10 0 BCAERO CC[N@@H+]1CCOC[C@H](c2cccnn2)C1 ZINC000616661420 351210114 /nfs/dbraw/zinc/21/01/14/351210114.db2.gz RUGLBVNNADGDAS-SNVBAGLBSA-N 1 0 207.277 0.912 10 0 BCAERO O=S(=O)(c1ccccc1)[C@H]1C[NH2+]CCOC1 ZINC000616661791 351210438 /nfs/dbraw/zinc/21/04/38/351210438.db2.gz ZCPYJUCZAXQICJ-NSHDSACASA-N 1 0 241.312 0.449 10 0 BCAERO CCOC(=O)N1CCOC[C@@H](CC[NH3+])C1 ZINC000616661922 351210749 /nfs/dbraw/zinc/21/07/49/351210749.db2.gz VSGACCBGONNGPL-VIFPVBQESA-N 1 0 216.281 0.440 10 0 BCAERO CC(C)(C)[N@@H+]1CCOC[C@@H](C(N)=O)C1 ZINC000616660842 351213456 /nfs/dbraw/zinc/21/34/56/351213456.db2.gz PQHWXGUQZHGQES-QMMMGPOBSA-N 1 0 200.282 0.219 10 0 BCAERO CC[N@@H+]1CCOC[C@@H](c2ccnnc2)C1 ZINC000616661265 351214217 /nfs/dbraw/zinc/21/42/17/351214217.db2.gz NWOSQVKFHYDIIM-NSHDSACASA-N 1 0 207.277 0.912 10 0 BCAERO Nc1ncccc1[C@@H]1COCCN(CC[NH3+])C1 ZINC000616663376 351215322 /nfs/dbraw/zinc/21/53/22/351215322.db2.gz LCYYKLVVTCFJLF-JTQLQIEISA-N 1 0 236.319 0.038 10 0 BCAERO [NH3+]CCN1CCOC[C@@H](c2ccon2)C1 ZINC000616663879 351216898 /nfs/dbraw/zinc/21/68/98/351216898.db2.gz OKVWWWWKDKUKBG-VIFPVBQESA-N 1 0 211.265 0.049 10 0 BCAERO Nc1ncccc1[C@@H]1CC[N@H+](CCO)CCO1 ZINC000616665193 351221861 /nfs/dbraw/zinc/22/18/61/351221861.db2.gz AFBGCLXCUDIBDW-NSHDSACASA-N 1 0 237.303 0.420 10 0 BCAERO O=S(=O)(c1ccccc1)[C@@H]1CC[NH2+]CCO1 ZINC000616665524 351222706 /nfs/dbraw/zinc/22/27/06/351222706.db2.gz ZFZNUPDELZKJNU-LLVKDONJSA-N 1 0 241.312 0.796 10 0 BCAERO [NH3+]CCN1CCO[C@H](c2ccon2)CC1 ZINC000616665704 351223273 /nfs/dbraw/zinc/22/32/73/351223273.db2.gz UIMGMXCYRRQACM-JTQLQIEISA-N 1 0 211.265 0.397 10 0 BCAERO [NH3+]CCN1CCO[C@H](OC(F)(F)F)CC1 ZINC000616665685 351223460 /nfs/dbraw/zinc/22/34/60/351223460.db2.gz SJJPTJVVIADQNQ-SSDOTTSWSA-N 1 0 228.214 0.530 10 0 BCAERO Cc1nc(CSC2=[NH+]C[C@H](C)N2)no1 ZINC000306886601 351292789 /nfs/dbraw/zinc/29/27/89/351292789.db2.gz SRPVMFXTHPTSAU-YFKPBYRVSA-N 1 0 212.278 0.959 10 0 BCAERO CCn1ncnc1C(=O)C1=CC[C@H]([NH3+])C1 ZINC000306886697 351293031 /nfs/dbraw/zinc/29/30/31/351293031.db2.gz PSXLMZXICUJUGO-YUMQZZPRSA-N 1 0 206.249 0.384 10 0 BCAERO [NH3+]C[C@@H]1CSCCN1CC(F)(F)F ZINC000306887460 351294506 /nfs/dbraw/zinc/29/45/06/351294506.db2.gz UNVSTKXXZKLONN-ZCFIWIBFSA-N 1 0 214.256 0.925 10 0 BCAERO O=c1ncc(Cl)cn1C[C@H]1CC[NH2+]C1 ZINC000168185831 351335604 /nfs/dbraw/zinc/33/56/04/351335604.db2.gz SUMLMCNGWNKQIE-ZETCQYMHSA-N 1 0 213.668 0.506 10 0 BCAERO C[C@H]1CN(C[C@@H]2CCC[N@@H+]2C)CCC1=O ZINC000306881229 351279219 /nfs/dbraw/zinc/27/92/19/351279219.db2.gz LVJMSUVIILHNBC-QWRGUYRKSA-N 1 0 210.321 0.992 10 0 BCAERO C[C@H]1C[NH2+]CC[C@@H]1CN=S(C)(C)=O ZINC000306964496 351385602 /nfs/dbraw/zinc/38/56/02/351385602.db2.gz JDDMRVBQYGDBGF-DTWKUNHWSA-N 1 0 204.339 0.960 10 0 BCAERO CO[C@H]1C[C@@H](C[NH3+])N(c2nncs2)C1 ZINC000306971140 351391249 /nfs/dbraw/zinc/39/12/49/351391249.db2.gz JVQXAWBKSSBSGW-BQBZGAKWSA-N 1 0 214.294 0.091 10 0 BCAERO C[C@H]1CC[C@@H](C(=O)NCC(C)(C)[NH3+])O1 ZINC000168369793 351391430 /nfs/dbraw/zinc/39/14/30/351391430.db2.gz ZEZQFZUVHBAHDQ-YUMQZZPRSA-N 1 0 200.282 0.407 10 0 BCAERO C[C@@H]1CC[C@@H]1NC(=O)[C@H]1CSCC[NH2+]1 ZINC000306975104 351395061 /nfs/dbraw/zinc/39/50/61/351395061.db2.gz MYUVJTUVTGICIT-HRDYMLBCSA-N 1 0 214.334 0.606 10 0 BCAERO CC1CC([NH2+]C[C@H]2CCS(=O)(=O)C2)C1 ZINC000231787309 351341496 /nfs/dbraw/zinc/34/14/96/351341496.db2.gz WPQLMHMETODVPY-HWOCKDDLSA-N 1 0 217.334 0.809 10 0 BCAERO CCCCOC[C@H](O)C[NH2+][C@H](CC)[C@@H](C)O ZINC000386680282 363026555 /nfs/dbraw/zinc/02/65/55/363026555.db2.gz IBEVXJZRCNCZTA-IJLUTSLNSA-N 1 0 233.352 0.913 10 0 BCAERO C[C@H]([NH2+]C1CCCC1)C(=O)N1CCOCC1 ZINC000034936811 351350496 /nfs/dbraw/zinc/35/04/96/351350496.db2.gz MXLLKBFVFJUAIA-JTQLQIEISA-N 1 0 226.320 0.766 10 0 BCAERO CC[C@@H](C)[NH2+][C@H](C)C(=O)NCCCOC ZINC000034938605 351353367 /nfs/dbraw/zinc/35/33/67/351353367.db2.gz OLEGPUMSCXUJFW-NXEZZACHSA-N 1 0 216.325 0.916 10 0 BCAERO NC(=[NH2+])N[C@@H](CO)c1ccc(Cl)cc1 ZINC000306987047 351403875 /nfs/dbraw/zinc/40/38/75/351403875.db2.gz PPIBFKCRBDQLSD-QMMMGPOBSA-N 1 0 213.668 0.856 10 0 BCAERO C[C@@H]1C[C@@H](NC(=O)[C@@H]2CC[NH2+]2)CS1 ZINC000307021503 351429883 /nfs/dbraw/zinc/42/98/83/351429883.db2.gz XDIYRLKVYBROAL-PRJMDXOYSA-N 1 0 200.307 0.359 10 0 BCAERO Cn1cc(-c2nc(CC[NH3+])cs2)nn1 ZINC000307029136 351430552 /nfs/dbraw/zinc/43/05/52/351430552.db2.gz LUDILGMGMGCIBS-UHFFFAOYSA-N 1 0 209.278 0.440 10 0 BCAERO C[C@H](NC(=O)C1CC[NH2+]CC1)C(F)F ZINC000307026331 351434361 /nfs/dbraw/zinc/43/43/61/351434361.db2.gz YEHFNHZMAOCJPT-LURJTMIESA-N 1 0 206.236 0.756 10 0 BCAERO C[C@]1(C(=O)N=S(C)(C)=O)CCC[C@@H]1[NH3+] ZINC000307038337 351436034 /nfs/dbraw/zinc/43/60/34/351436034.db2.gz GZNDSSQYWYRIGT-CBAPKCEASA-N 1 0 218.322 0.758 10 0 BCAERO C1[NH2+]CC1N1CCC[C@H](C2OCCO2)C1 ZINC000307064655 351461493 /nfs/dbraw/zinc/46/14/93/351461493.db2.gz IGXVJGIGGFOVMB-VIFPVBQESA-N 1 0 212.293 0.043 10 0 BCAERO C[N@H+]([C@@H]1CCSC1)[C@H]1COC[C@H]1O ZINC000307019190 351423868 /nfs/dbraw/zinc/42/38/68/351423868.db2.gz RQDKRIRILMRXLW-HRDYMLBCSA-N 1 0 203.307 0.183 10 0 BCAERO CCS(=O)(=O)N1CCC[C@@H]([NH3+])[C@H]1C ZINC000307152334 351505819 /nfs/dbraw/zinc/50/58/19/351505819.db2.gz XVQTZNKJAPEBQD-HTQZYQBOSA-N 1 0 206.311 0.148 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N[C@@H](C)c1nc(C)cs1 ZINC000088004570 351510294 /nfs/dbraw/zinc/51/02/94/351510294.db2.gz USGQHVCSIVOWPE-JGVFFNPUSA-N 1 0 243.332 0.602 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N(C)CCc1cccs1 ZINC000088004986 351512353 /nfs/dbraw/zinc/51/23/53/351512353.db2.gz VPHBKXZOVHYRAV-SNVBAGLBSA-N 1 0 242.344 0.723 10 0 BCAERO NC(=[NH2+])c1ccnc(SC2COC2)n1 ZINC000231939296 351473709 /nfs/dbraw/zinc/47/37/09/351473709.db2.gz HZUMCLRNTZEBCN-UHFFFAOYSA-N 1 0 210.262 0.252 10 0 BCAERO O=C(N1CC[C@H]2CC[NH2+][C@@H]2C1)C(F)(F)F ZINC000307099350 351478121 /nfs/dbraw/zinc/47/81/21/351478121.db2.gz RYANGMKIUDRKMV-RNFRBKRXSA-N 1 0 222.210 0.759 10 0 BCAERO COC[C@H]([NH3+])C(=O)N(C)Cc1ccncc1 ZINC000088002903 351487700 /nfs/dbraw/zinc/48/77/00/351487700.db2.gz IESMCJOLFCUNRO-JTQLQIEISA-N 1 0 223.276 0.014 10 0 BCAERO CCN(C(=O)[C@H]([NH3+])COC)C1CCCC1 ZINC000088002854 351487835 /nfs/dbraw/zinc/48/78/35/351487835.db2.gz QLFUEQRARHOQPR-SNVBAGLBSA-N 1 0 214.309 0.751 10 0 BCAERO CC(C)[S@@](=N)(=O)N1CCC[NH2+]CC1 ZINC000404510682 351490315 /nfs/dbraw/zinc/49/03/15/351490315.db2.gz DZBUISVVKYPNBY-ZDUSSCGKSA-N 1 0 205.327 0.652 10 0 BCAERO O=C([C@H]1CC[NH2+]1)N1CCC=C(Br)C1 ZINC000404222114 363058606 /nfs/dbraw/zinc/05/86/06/363058606.db2.gz VNUBOEGUZYQVSV-MRVPVSSYSA-N 1 0 245.120 0.859 10 0 BCAERO Nc1n[nH]c(S[C@@H]2CCCC[C@H]2[NH3+])n1 ZINC000232017235 351530683 /nfs/dbraw/zinc/53/06/83/351530683.db2.gz KEZNYICYLDWLDC-PHDIDXHHSA-N 1 0 213.310 0.749 10 0 BCAERO C[C@@H]1[N@H+](Cc2ccccc2)CC[C@@]1(O)C(N)=O ZINC000307180723 351573245 /nfs/dbraw/zinc/57/32/45/351573245.db2.gz LRNWQXTUUJDVBT-GWCFXTLKSA-N 1 0 234.299 0.497 10 0 BCAERO CNC(=O)[C@H](C)[N@@H+]1CCS[C@@H](C)C1 ZINC000307190970 351592534 /nfs/dbraw/zinc/59/25/34/351592534.db2.gz KBJUNCAUVCMRGR-YUMQZZPRSA-N 1 0 202.323 0.558 10 0 BCAERO Cc1ncc(C(=O)[C@H]2CCC[NH2+]C2)n1C ZINC000307195920 351596435 /nfs/dbraw/zinc/59/64/35/351596435.db2.gz NJBATNUSMLUHNU-VIFPVBQESA-N 1 0 207.277 0.911 10 0 BCAERO Cn1c(=O)[nH]nc1SCC[C@H]1CCCC[NH2+]1 ZINC000061593282 180624064 /nfs/dbraw/zinc/62/40/64/180624064.db2.gz MKXDZYJUGPEKLP-MRVPVSSYSA-N 1 0 242.348 0.733 10 0 BCAERO C[C@@H]1C[C@H](C(=O)N2CCC[C@H]2C[NH3+])[C@H](C)O1 ZINC000637859922 351721326 /nfs/dbraw/zinc/72/13/26/351721326.db2.gz RTVPQXMYIWNSJG-RCWTZXSCSA-N 1 0 226.320 0.750 10 0 BCAERO [NH3+]C[C@@H](O)CNc1ncccc1Cl ZINC000307239084 351729125 /nfs/dbraw/zinc/72/91/25/351729125.db2.gz HMDRFJCMGFZMFQ-ZCFIWIBFSA-N 1 0 201.657 0.467 10 0 BCAERO CC(C)[C@@H](C)NC(=O)[C@]1(C)C[NH2+]CCO1 ZINC000637877423 351742493 /nfs/dbraw/zinc/74/24/93/351742493.db2.gz SKABEQSDWHWBKN-KOLCDFICSA-N 1 0 214.309 0.526 10 0 BCAERO COC[C@H](C)NC(=O)[C@@H]([NH3+])CCC(C)C ZINC000637877476 351743374 /nfs/dbraw/zinc/74/33/74/351743374.db2.gz URUDKMNLJMIZCU-UWVGGRQHSA-N 1 0 216.325 0.901 10 0 BCAERO CC(C)[C@@H](C)NC(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000637877738 351743381 /nfs/dbraw/zinc/74/33/81/351743381.db2.gz XVJHOEJUWZLKFM-HRDYMLBCSA-N 1 0 200.282 0.263 10 0 BCAERO COC[C@H](C)NC(=O)CCC1C[NH2+]C1 ZINC000637875357 351744766 /nfs/dbraw/zinc/74/47/66/351744766.db2.gz FCPHHCGWTYBZIY-QMMMGPOBSA-N 1 0 200.282 0.137 10 0 BCAERO C[C@H](NC(=O)[C@@]1(C)C[NH2+]CCO1)[C@H]1CCCO1 ZINC000637930371 351805626 /nfs/dbraw/zinc/80/56/26/351805626.db2.gz WTTVUVRLNBWQNR-HOSYDEDBSA-N 1 0 242.319 0.049 10 0 BCAERO C[C@H](NC(=O)c1cnc(C[NH3+])nc1)C1CC1 ZINC000637892848 351762410 /nfs/dbraw/zinc/76/24/10/351762410.db2.gz PBGQJSZNFAAWGM-ZETCQYMHSA-N 1 0 220.276 0.464 10 0 BCAERO C[C@H](CC(N)=S)[N@@H+]1CCC[C@@H](O)[C@@H]1C ZINC000307252199 351769362 /nfs/dbraw/zinc/76/93/62/351769362.db2.gz RQXGLYJAMOUQCN-HRDYMLBCSA-N 1 0 216.350 0.896 10 0 BCAERO C[C@H](C(N)=S)[N@@H+]1CCC[C@@H](O)[C@@H]1C ZINC000307252114 351769722 /nfs/dbraw/zinc/76/97/22/351769722.db2.gz RLYDBASGDRRRGK-XLPZGREQSA-N 1 0 202.323 0.506 10 0 BCAERO C[C@H](CC(N)=S)[N@@H+]1CCC[C@H](O)[C@H]1C ZINC000307252198 351769797 /nfs/dbraw/zinc/76/97/97/351769797.db2.gz RQXGLYJAMOUQCN-HLTSFMKQSA-N 1 0 216.350 0.896 10 0 BCAERO [NH3+]C[C@@H](O)CNc1ncc(F)cc1F ZINC000307251083 351770528 /nfs/dbraw/zinc/77/05/28/351770528.db2.gz QEMCZDQCUYQHDH-ZCFIWIBFSA-N 1 0 203.192 0.091 10 0 BCAERO OC[C@@H]1CC[N@@H+]([C@H]2CCO[C@@]23CCOC3)C1 ZINC000725268875 538101357 /nfs/dbraw/zinc/10/13/57/538101357.db2.gz DLFXUCKVWWISCY-GRYCIOLGSA-N 1 0 227.304 0.249 10 0 BCAERO C[C@@H]1C[C@@H]1NC(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000637933847 351811090 /nfs/dbraw/zinc/81/10/90/351811090.db2.gz JRSIJXJFBQMGCU-WCABBAIRSA-N 1 0 212.293 0.267 10 0 BCAERO CS(C)(=O)=NC(=O)C1(C[NH3+])CCCC1 ZINC000307285392 351851767 /nfs/dbraw/zinc/85/17/67/351851767.db2.gz OKAFDBWFJADVTA-UHFFFAOYSA-N 1 0 218.322 0.760 10 0 BCAERO C[C@H]1CN(C(=O)[C@@H]2OCC[C@@H]2[NH3+])CCS1 ZINC000637980474 351857195 /nfs/dbraw/zinc/85/71/95/351857195.db2.gz RWSWGYULYZXEHH-XHNCKOQMSA-N 1 0 230.333 0.067 10 0 BCAERO O=C(CCC1C[NH2+]C1)NC[C@H]1CCC[C@H]1O ZINC000637964856 351839085 /nfs/dbraw/zinc/83/90/85/351839085.db2.gz MSZBXTIEKRKZIS-GHMZBOCLSA-N 1 0 226.320 0.263 10 0 BCAERO [NH3+][C@H](CC1OCCO1)c1ccsn1 ZINC000307284766 351849517 /nfs/dbraw/zinc/84/95/17/351849517.db2.gz NNNLAICEBJPRFF-ZCFIWIBFSA-N 1 0 200.263 0.906 10 0 BCAERO CCC[C@H]1C[C@H]1NC(=O)c1cnc(C[NH3+])nc1 ZINC000638039056 351919758 /nfs/dbraw/zinc/91/97/58/351919758.db2.gz RNVKTWADOCWBDY-WCBMZHEXSA-N 1 0 234.303 0.854 10 0 BCAERO CCC[C@@H]1C[C@H]1NC(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000638038662 351921977 /nfs/dbraw/zinc/92/19/77/351921977.db2.gz OOWRKOMRQYKTAE-UTINFBMNSA-N 1 0 212.293 0.407 10 0 BCAERO C[C@H]1OCC[C@@H]1S[C@@H]1C[NH2+]C[C@H]1O ZINC000307295274 351905321 /nfs/dbraw/zinc/90/53/21/351905321.db2.gz OUSURMMUXFELMU-LURQLKTLSA-N 1 0 203.307 0.230 10 0 BCAERO CSC[C@@H](C)NC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000235067556 187566595 /nfs/dbraw/zinc/56/65/95/187566595.db2.gz MLLISPXZSRAGMJ-IWSPIJDZSA-N 1 0 216.350 0.710 10 0 BCAERO CO[C@@]1(C[N@@H+]2CC[C@H](CCO)C2)CCOC1 ZINC000638087497 351966106 /nfs/dbraw/zinc/96/61/06/351966106.db2.gz BOWBXCFCDZKZQT-VXGBXAGGSA-N 1 0 229.320 0.496 10 0 BCAERO CC[NH2+][C@@H](C)C(=O)N1CCn2ccnc2C1 ZINC000638095927 351976223 /nfs/dbraw/zinc/97/62/23/351976223.db2.gz CVPGNVFAJLCTLM-VIFPVBQESA-N 1 0 222.292 0.223 10 0 BCAERO O=C(N[C@H]1CCOC12CC[NH2+]CC2)C1CCC1 ZINC000725269519 538101772 /nfs/dbraw/zinc/10/17/72/538101772.db2.gz MVQZPJYRKCGPGA-NSHDSACASA-N 1 0 238.331 0.814 10 0 BCAERO CONC(=O)C1(C[NH3+])CCCCCC1 ZINC000168371959 351985729 /nfs/dbraw/zinc/98/57/29/351985729.db2.gz OOAXJHMVMCNHLH-UHFFFAOYSA-N 1 0 200.282 0.963 10 0 BCAERO CC(C)([NH3+])CNC(=O)[C@@]1(C)CCCO1 ZINC000168373343 351989325 /nfs/dbraw/zinc/98/93/25/351989325.db2.gz RZHRLRVHSZQALU-SNVBAGLBSA-N 1 0 200.282 0.409 10 0 BCAERO CCNC(=O)N1CCC2(CC1)OCC[C@@H]2[NH3+] ZINC000725270073 538101883 /nfs/dbraw/zinc/10/18/83/538101883.db2.gz WSEUXSAWCYAZNH-VIFPVBQESA-N 1 0 227.308 0.298 10 0 BCAERO Cc1conc1C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000638205958 352067963 /nfs/dbraw/zinc/06/79/63/352067963.db2.gz KCHCPFFJSROWOD-RKDXNWHRSA-N 1 0 223.276 0.853 10 0 BCAERO CC[C@H](NC(C)=O)C(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000638207078 352068890 /nfs/dbraw/zinc/06/88/90/352068890.db2.gz NVPSBHAVZQYGBZ-LSJOCFKGSA-N 1 0 241.335 0.158 10 0 BCAERO COc1ncccc1CNC(=O)[C@@H](C)[NH3+] ZINC000037485478 187587909 /nfs/dbraw/zinc/58/79/09/187587909.db2.gz XGRNQRLDAPOLGR-SSDOTTSWSA-N 1 0 209.249 0.054 10 0 BCAERO N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(O)c1F ZINC000725270365 538101898 /nfs/dbraw/zinc/10/18/98/538101898.db2.gz IYOQYZBHRSWDIH-VXNVDRBHSA-N 1 0 210.252 0.936 10 0 BCAERO [NH3+][C@@H](c1cnsc1)[C@H]1COCCO1 ZINC000404746675 352024511 /nfs/dbraw/zinc/02/45/11/352024511.db2.gz AFTRPQJEXLUEPZ-SFYZADRCSA-N 1 0 200.263 0.558 10 0 BCAERO C[S@](=O)N1C[C@H]2CCC[C@@]2(C[NH3+])C1 ZINC000307329408 352029938 /nfs/dbraw/zinc/02/99/38/352029938.db2.gz WYQHHIGJKDLFBK-KKFJDGPESA-N 1 0 202.323 0.341 10 0 BCAERO CO[C@]1(C)CCN(C(=O)C(C)(C)[NH3+])C1 ZINC000307330504 352032333 /nfs/dbraw/zinc/03/23/33/352032333.db2.gz NPLOIMHAKITOPD-SNVBAGLBSA-N 1 0 200.282 0.361 10 0 BCAERO C[C@@H]1C[C@H](C(=O)N2CC[C@H]([NH3+])[C@H]2C)[C@@H](C)O1 ZINC000638235701 352086388 /nfs/dbraw/zinc/08/63/88/352086388.db2.gz QDZQOOYQKQRKPW-APLZJWDSSA-N 1 0 226.320 0.748 10 0 BCAERO COC1CC(C(=O)N2CC[C@@H]([NH3+])[C@@H]2C)C1 ZINC000638235357 352086515 /nfs/dbraw/zinc/08/65/15/352086515.db2.gz OAMRDUWJKMMYPS-AUXWQGHOSA-N 1 0 212.293 0.360 10 0 BCAERO Cc1conc1C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000638395703 352202461 /nfs/dbraw/zinc/20/24/61/352202461.db2.gz DEDVJSPGIJQELW-RXMQYKEDSA-N 1 0 237.181 0.602 10 0 BCAERO CN(CC(C)(C)C[NH3+])c1ccc2nncn2n1 ZINC000420201481 192174631 /nfs/dbraw/zinc/17/46/31/192174631.db2.gz HIHICVFLDCHLFN-UHFFFAOYSA-N 1 0 234.307 0.545 10 0 BCAERO CC1(C)NC(=O)N(C[C@@H]2CCC[NH2+]2)C1=O ZINC000043495847 187632948 /nfs/dbraw/zinc/63/29/48/187632948.db2.gz FHVTWTAETCWODE-ZETCQYMHSA-N 1 0 211.265 0.069 10 0 BCAERO CC(=O)NCCCC[NH2+]CCCNC(C)=O ZINC000001650371 187641971 /nfs/dbraw/zinc/64/19/71/187641971.db2.gz BKCVMAZDKFQPHB-UHFFFAOYSA-N 1 0 229.324 0.019 10 0 endogenous,in-man BCAERO CCC[C@H](CNC(=O)[C@@H]1CC[NH2+]C1)OCC ZINC000638458012 352268859 /nfs/dbraw/zinc/26/88/59/352268859.db2.gz QOECGCHDUUVHRF-GHMZBOCLSA-N 1 0 228.336 0.917 10 0 BCAERO CCC[C@H](CNC(=O)[C@@H](C)[NH2+]C)OCC ZINC000638457947 352269019 /nfs/dbraw/zinc/26/90/19/352269019.db2.gz PWBAXWLKKIJJLY-NXEZZACHSA-N 1 0 216.325 0.916 10 0 BCAERO C[NH2+][C@H](C)C(=O)NC[C@@H]1Cc2ccccc2CO1 ZINC000638461306 352274698 /nfs/dbraw/zinc/27/46/98/352274698.db2.gz JRKFAFXJLZXBKJ-MFKMUULPSA-N 1 0 248.326 0.852 10 0 BCAERO COC[C@]1(C(=O)N2C[C@@H]3C[C@@H]3C2)CCC[NH2+]1 ZINC000638474353 352283562 /nfs/dbraw/zinc/28/35/62/352283562.db2.gz KRFRBISTCKCAPJ-UMNHJUIQSA-N 1 0 224.304 0.233 10 0 BCAERO CC(C)(CO)NC(=O)C[C@H]1CCC[NH2+]C1 ZINC000054305985 187662815 /nfs/dbraw/zinc/66/28/15/187662815.db2.gz ORWQOYGLDKFMLW-SECBINFHSA-N 1 0 214.309 0.263 10 0 BCAERO C[C@H]1C[NH2+]CCN(S(=O)(=O)C2CC2)C1 ZINC000307359344 352342122 /nfs/dbraw/zinc/34/21/22/352342122.db2.gz DDAFVJVRKKMNNE-QMMMGPOBSA-N 1 0 218.322 0.020 10 0 BCAERO CC(C)(C)OC(=O)[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000725271475 538102924 /nfs/dbraw/zinc/10/29/24/538102924.db2.gz NQFVFEMJCOWREB-YUMQZZPRSA-N 1 0 201.266 0.834 10 0 BCAERO CC1(C)SC[C@H]1NC(=O)C1([NH3+])CC1 ZINC000307362740 352445920 /nfs/dbraw/zinc/44/59/20/352445920.db2.gz JDXLOEZPKLXHDU-ZCFIWIBFSA-N 1 0 200.307 0.488 10 0 BCAERO C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1NC(=O)[C@@H]1CC[NH2+]C1 ZINC000638630154 352469216 /nfs/dbraw/zinc/46/92/16/352469216.db2.gz QQXYNBAFRQCWFR-DAWVFNFOSA-N 1 0 226.320 0.524 10 0 BCAERO C[C@H]([NH3+])CC(=O)N[C@H]1[C@@H](C)[C@H](C)O[C@H]1C ZINC000638631684 352472206 /nfs/dbraw/zinc/47/22/06/352472206.db2.gz WNYQDPSPICMQEA-BESMBUEOSA-N 1 0 214.309 0.652 10 0 BCAERO CC(C)[C@H]([NH3+])C(=O)N[C@H]1[C@@H](C)[C@H](C)O[C@H]1C ZINC000638631075 352473599 /nfs/dbraw/zinc/47/35/99/352473599.db2.gz UQJCMYLPTJBFHA-QHZLYTNSSA-N 1 0 228.336 0.898 10 0 BCAERO C[C@@H]1CC[NH2+]C[C@H]1CNC(=O)C(F)(F)F ZINC000307378517 352478053 /nfs/dbraw/zinc/47/80/53/352478053.db2.gz XWIOXPPYHONIAR-RQJHMYQMSA-N 1 0 224.226 0.911 10 0 BCAERO CCNC(=O)N1CCC2(CC1)C[NH2+]C[C@H](C)O2 ZINC000725271517 538103584 /nfs/dbraw/zinc/10/35/84/538103584.db2.gz HARDZLGZQJWNGN-JTQLQIEISA-N 1 0 241.335 0.559 10 0 BCAERO CO[C@@H]1COCC[C@@]12[NH2+]C[C@@H](C)S2 ZINC000307380643 352481711 /nfs/dbraw/zinc/48/17/11/352481711.db2.gz YLMLSKFLNNWMKT-HLTSFMKQSA-N 1 0 203.307 0.843 10 0 BCAERO CO[C@]1(C[NH2+]C[C@H]2CCC[C@H]2O)CCOC1 ZINC000638709891 352544694 /nfs/dbraw/zinc/54/46/94/352544694.db2.gz DSLVJMAFUYHYKF-UTUOFQBUSA-N 1 0 229.320 0.543 10 0 BCAERO CCOC(=O)C[C@@H]([NH3+])[C@H]1CCCS(=O)(=O)C1 ZINC000725272050 538103939 /nfs/dbraw/zinc/10/39/39/538103939.db2.gz GCMHKSMIBBQVPD-DTWKUNHWSA-N 1 0 249.332 0.092 10 0 BCAERO C[S@](=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000307384433 352510990 /nfs/dbraw/zinc/51/09/90/352510990.db2.gz JPVVMNLMNKKJNB-ZZIUEJKTSA-N 1 0 202.323 0.339 10 0 BCAERO CC1CC(C(=O)N(C)CCOCC[NH3+])C1 ZINC000638676358 352516088 /nfs/dbraw/zinc/51/60/88/352516088.db2.gz KKIREQPKCITYQO-UHFFFAOYSA-N 1 0 214.309 0.466 10 0 BCAERO CC(C)[C@H](C)C(=O)N1CC(F)(C[NH3+])C1 ZINC000725272304 538104106 /nfs/dbraw/zinc/10/41/06/538104106.db2.gz BFDCSEHXQYPHPI-QMMMGPOBSA-N 1 0 202.273 0.788 10 0 BCAERO C[NH2+][C@H](C)C(=O)N1CCO[C@H](CCF)C1 ZINC000638683577 352521127 /nfs/dbraw/zinc/52/11/27/352521127.db2.gz KBHSGZNLUZTWDH-RKDXNWHRSA-N 1 0 218.272 0.181 10 0 BCAERO O=C([C@@H]1CC[NH2+]C1)N1CCO[C@H](CCF)C1 ZINC000638684034 352521526 /nfs/dbraw/zinc/52/15/26/352521526.db2.gz OWRCSRROSDTQED-NXEZZACHSA-N 1 0 230.283 0.183 10 0 BCAERO O=C([C@H]1CC[NH2+]C1)N1CCO[C@@H](CCF)C1 ZINC000638684036 352522037 /nfs/dbraw/zinc/52/20/37/352522037.db2.gz OWRCSRROSDTQED-UWVGGRQHSA-N 1 0 230.283 0.183 10 0 BCAERO [NH3+][C@@H]1CC[C@@H](C(=O)N2CCO[C@@H](CCF)C2)C1 ZINC000638684446 352522248 /nfs/dbraw/zinc/52/22/48/352522248.db2.gz SHEYSPQAIFRMQF-MXWKQRLJSA-N 1 0 244.310 0.701 10 0 BCAERO C/C=C\CNC(=O)[C@]1(COC)CCC[NH2+]1 ZINC000638691182 352528503 /nfs/dbraw/zinc/52/85/03/352528503.db2.gz VGBBXFYKUBATHY-DLRQAJBASA-N 1 0 212.293 0.447 10 0 BCAERO [NH3+][C@@H]1CC[C@H](C(=O)N[C@H]2CO[C@@H](C3CC3)C2)C1 ZINC000638694502 352531263 /nfs/dbraw/zinc/53/12/63/352531263.db2.gz FSSBMWGIRAUUAI-IRCOFANPSA-N 1 0 238.331 0.798 10 0 BCAERO [NH3+][C@@H]1CC[C@H](C(=O)N[C@@H]2CO[C@@H](C3CC3)C2)C1 ZINC000638694505 352531275 /nfs/dbraw/zinc/53/12/75/352531275.db2.gz FSSBMWGIRAUUAI-WHOHXGKFSA-N 1 0 238.331 0.798 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N[C@H]1CO[C@H](C2CC2)C1 ZINC000638694151 352531384 /nfs/dbraw/zinc/53/13/84/352531384.db2.gz BTQKRUBBNITSRI-VWYCJHECSA-N 1 0 226.320 0.798 10 0 BCAERO O=C(N[C@@H]1CO[C@H](C2CC2)C1)[C@H]1CCC[NH2+]C1 ZINC000638695048 352531801 /nfs/dbraw/zinc/53/18/01/352531801.db2.gz KTPQVKBWHBPWKW-SRVKXCTJSA-N 1 0 238.331 0.670 10 0 BCAERO O=C(N[C@H]1CO[C@@H](C2CC2)C1)[C@H]1CC[NH2+]C1 ZINC000638695479 352532934 /nfs/dbraw/zinc/53/29/34/352532934.db2.gz OIVJCDXSNGJLBH-HBNTYKKESA-N 1 0 224.304 0.280 10 0 BCAERO CCCCOC[C@H](O)C[NH2+]C[C@@H]1CCC[C@H]1O ZINC000300299978 352557819 /nfs/dbraw/zinc/55/78/19/352557819.db2.gz RZHFCQGZEYLYGT-YNEHKIRRSA-N 1 0 245.363 0.915 10 0 BCAERO COc1cccc(CN2CCO[C@@H]3C[NH2+]C[C@@H]32)c1 ZINC000415139592 352586233 /nfs/dbraw/zinc/58/62/33/352586233.db2.gz IQUBRERSQWKOHB-UONOGXRCSA-N 1 0 248.326 0.868 10 0 BCAERO CC(=O)N1C[C@@H](C)OC2(CC[NH2+]CC2)C1 ZINC000725272611 538104428 /nfs/dbraw/zinc/10/44/28/538104428.db2.gz RNXOYWFMVLOYJC-SECBINFHSA-N 1 0 212.293 0.376 10 0 BCAERO C[C@@H]1CC[C@@H]1NC(=O)[C@H](F)C1C[NH2+]C1 ZINC000307460815 352610494 /nfs/dbraw/zinc/61/04/94/352610494.db2.gz IKSDMALNBAADQD-BWVDBABLSA-N 1 0 200.257 0.459 10 0 BCAERO C[C@@H](O)[C@@H]([NH3+])CNC(=O)NCc1ccccc1 ZINC000232306749 352611994 /nfs/dbraw/zinc/61/19/94/352611994.db2.gz FBEVJJKODOEUIN-KOLCDFICSA-N 1 0 237.303 0.194 10 0 BCAERO Cn1ccnc1[C@@H]1[C@@H]([NH3+])CCC(=O)N1C1CC1 ZINC000385391364 352567974 /nfs/dbraw/zinc/56/79/74/352567974.db2.gz UYTXFVWVUMGIIN-ONGXEEELSA-N 1 0 234.303 0.573 10 0 BCAERO CC(C)(F)C(=O)NC[C@@]1(C)CCC[NH2+]1 ZINC000307394697 352569015 /nfs/dbraw/zinc/56/90/15/352569015.db2.gz FCVZWIWUNXXKEL-SNVBAGLBSA-N 1 0 202.273 0.993 10 0 BCAERO CCc1csc(NC(=O)C2C[NH2+]C2)n1 ZINC000307393655 352569690 /nfs/dbraw/zinc/56/96/90/352569690.db2.gz LQWKLWSREGJSQI-UHFFFAOYSA-N 1 0 211.290 0.863 10 0 BCAERO COC(=O)C[C@@H]([NH3+])C12C3C4C5C3C1C5C42 ZINC000498036467 352570002 /nfs/dbraw/zinc/57/00/02/352570002.db2.gz ICSTUWXQELJIRI-OBSPHYFCSA-N 1 0 205.257 0.245 10 0 BCAERO CO[C@H]1CCN(C(=O)[C@H](C)[NH3+])[C@@H](C)C1 ZINC000300951859 352580499 /nfs/dbraw/zinc/58/04/99/352580499.db2.gz UIDZGAVSIBQOBZ-CIUDSAMLSA-N 1 0 200.282 0.360 10 0 BCAERO Cc1cc(C(=O)N2C[C@@H](C)[C@@H]([NH3+])C2)nn1C ZINC000300952818 352580752 /nfs/dbraw/zinc/58/07/52/352580752.db2.gz UKIZHYQJVTYWJL-APPZFPTMSA-N 1 0 222.292 0.148 10 0 BCAERO C[C@H]1C[NH2+]CC[C@H]1C(=O)N=S(C)(C)=O ZINC000307405060 352580821 /nfs/dbraw/zinc/58/08/21/352580821.db2.gz CQQJFWTYPXAYED-JGVFFNPUSA-N 1 0 218.322 0.486 10 0 BCAERO C[C@@H](C[NH3+])NC(=O)[C@H]1CCC(F)(F)C1 ZINC000301032433 352585509 /nfs/dbraw/zinc/58/55/09/352585509.db2.gz VLMCEWWKTNBMBS-BQBZGAKWSA-N 1 0 206.236 0.885 10 0 BCAERO Cn1c(Cl)cnc1[C@H](O)C(C)(C)[NH3+] ZINC000301034442 352585562 /nfs/dbraw/zinc/58/55/62/352585562.db2.gz SSONBDUHOAYNMC-LURJTMIESA-N 1 0 203.673 0.844 10 0 BCAERO NC(=[NH2+])c1cncnc1SC1COC1 ZINC000307537705 352643246 /nfs/dbraw/zinc/64/32/46/352643246.db2.gz RAHROYJAFMNEQT-UHFFFAOYSA-N 1 0 210.262 0.252 10 0 BCAERO CN1C(=O)CC[C@@H]([NH3+])[C@H]1c1csnn1 ZINC000307541390 352644752 /nfs/dbraw/zinc/64/47/52/352644752.db2.gz XRRXABDEFKFJNF-XRGYYRRGSA-N 1 0 212.278 0.159 10 0 BCAERO C[C@H](C[NH3+])N1CC[S@@](=O)C(C)(C)CC1 ZINC000307543544 352644862 /nfs/dbraw/zinc/64/48/62/352644862.db2.gz AIOAIBWKHKKXRC-YMTOWFKASA-N 1 0 218.366 0.567 10 0 BCAERO C[C@@H](C(N)=S)[N@@H+]1CCO[C@@H](C)[C@@H]1C ZINC000307543051 352644997 /nfs/dbraw/zinc/64/49/97/352644997.db2.gz DVDGKPOGYOUJQC-FXQIFTODSA-N 1 0 202.323 0.770 10 0 BCAERO C[C@H](C[NH3+])N1CC[S@](=O)C(C)(C)CC1 ZINC000307543542 352645093 /nfs/dbraw/zinc/64/50/93/352645093.db2.gz AIOAIBWKHKKXRC-OTYXRUKQSA-N 1 0 218.366 0.567 10 0 BCAERO C[NH+](C)[C@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000307545783 352645780 /nfs/dbraw/zinc/64/57/80/352645780.db2.gz KKRYLDCZGTUISP-DTWKUNHWSA-N 1 0 205.323 0.904 10 0 BCAERO C[C@]1(C[NH2+]C2CS(=O)(=O)C2)CCCS1 ZINC000307541822 352645868 /nfs/dbraw/zinc/64/58/68/352645868.db2.gz YHNIMDOOVKJBKP-SECBINFHSA-N 1 0 235.374 0.659 10 0 BCAERO C[NH+](C)[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000307545782 352646087 /nfs/dbraw/zinc/64/60/87/352646087.db2.gz KKRYLDCZGTUISP-BDAKNGLRSA-N 1 0 205.323 0.904 10 0 BCAERO COC(=O)[C@@H](C)NC(=[NH2+])NCc1ccccc1 ZINC000307542266 352646099 /nfs/dbraw/zinc/64/60/99/352646099.db2.gz PVVMLBHBYDPNQX-SECBINFHSA-N 1 0 235.287 0.862 10 0 BCAERO CN1C[C@@H]([NH2+]C2CSC2)CCC1=O ZINC000307564138 352652723 /nfs/dbraw/zinc/65/27/23/352652723.db2.gz BDUSAZAVULKELB-ZETCQYMHSA-N 1 0 200.307 0.312 10 0 BCAERO C[C@H]1[N@H+](Cc2ccccc2)CC[C@]1(N)C(N)=O ZINC000307575835 352658909 /nfs/dbraw/zinc/65/89/09/352658909.db2.gz JMNDXBPGFVFBFK-ZWNOBZJWSA-N 1 0 233.315 0.464 10 0 BCAERO [NH3+]C1CN(C(=O)[C@H]2CCCC2(F)F)C1 ZINC000307581398 352660552 /nfs/dbraw/zinc/66/05/52/352660552.db2.gz RBDDALBFIMTUID-SSDOTTSWSA-N 1 0 204.220 0.591 10 0 BCAERO C[C@@H]1CSC[C@@H]1NC(=O)C1([NH3+])CC1 ZINC000307581297 352660689 /nfs/dbraw/zinc/66/06/89/352660689.db2.gz CJWBTSMNIFISLT-RQJHMYQMSA-N 1 0 200.307 0.345 10 0 BCAERO Cc1ccc(NC[C@H]([NH3+])C(N)=O)cc1Cl ZINC000232426825 352661539 /nfs/dbraw/zinc/66/15/39/352661539.db2.gz ILFIZEWAQFEMBL-VIFPVBQESA-N 1 0 227.695 0.873 10 0 BCAERO CC1(C)SC[C@H]1NC(=O)[C@H]1CC[NH2+]1 ZINC000307590140 352663785 /nfs/dbraw/zinc/66/37/85/352663785.db2.gz BNSINIUDHHYPCN-RNFRBKRXSA-N 1 0 200.307 0.359 10 0 BCAERO CC1(C)SC[C@@H]1NC(=O)[C@H]1CC[NH2+]1 ZINC000307590141 352664113 /nfs/dbraw/zinc/66/41/13/352664113.db2.gz BNSINIUDHHYPCN-RQJHMYQMSA-N 1 0 200.307 0.359 10 0 BCAERO NC(=O)[C@H]([NH3+])CNc1ccc(Cl)cc1 ZINC000232436955 352665887 /nfs/dbraw/zinc/66/58/87/352665887.db2.gz HZPOYMBYOASTES-MRVPVSSYSA-N 1 0 213.668 0.565 10 0 BCAERO Cc1ccncc1[C@H]1C[NH2+]C[C@H]1C(N)=O ZINC000229234382 352666357 /nfs/dbraw/zinc/66/63/57/352666357.db2.gz JWJWUKVBMDWXGW-NXEZZACHSA-N 1 0 205.261 0.178 10 0 BCAERO CC[S@](=O)N1[C@H](C)C[C@H]2C[NH2+]C[C@@H]21 ZINC000307495739 352625317 /nfs/dbraw/zinc/62/53/17/352625317.db2.gz IFAUDLWUGKQSES-LWIGBJQBSA-N 1 0 202.323 0.352 10 0 BCAERO C[C@H]1[NH+]=C(NC2CS(=O)(=O)C2)S[C@H]1C ZINC000307499721 352626577 /nfs/dbraw/zinc/62/65/77/352626577.db2.gz LLZGVCIHWRKTBE-RITPCOANSA-N 1 0 234.346 0.253 10 0 BCAERO [NH3+][C@@H]1CN(C[C@H]2CCCSC2)C1=O ZINC000307499505 352626899 /nfs/dbraw/zinc/62/68/99/352626899.db2.gz TUCWQQOXDSRERT-HTQZYQBOSA-N 1 0 200.307 0.299 10 0 BCAERO CCCCN(CCO)[C@@H]1COC[C@@H]1C[NH+](C)C ZINC000725273786 538105006 /nfs/dbraw/zinc/10/50/06/538105006.db2.gz GKJGGNXATLMTJR-QWHCGFSZSA-N 1 0 244.379 0.657 10 0 BCAERO CC[C@H]1C[NH+]=C(N[C@@H]2CNC(=O)C2)S1 ZINC000229255318 352710366 /nfs/dbraw/zinc/71/03/66/352710366.db2.gz MYSBLKRKHKSXJG-BQBZGAKWSA-N 1 0 213.306 0.346 10 0 BCAERO [NH3+][C@@H](C1=COCC1)[C@H]1CSCCO1 ZINC000307616048 352674149 /nfs/dbraw/zinc/67/41/49/352674149.db2.gz RPDITLKKOAKRQT-BDAKNGLRSA-N 1 0 201.291 0.750 10 0 BCAERO [NH3+]CC1(F)CN(C(=O)NC2CCCC2)C1 ZINC000725273321 538104982 /nfs/dbraw/zinc/10/49/82/538104982.db2.gz VBIPJYSRJQASBN-UHFFFAOYSA-N 1 0 215.272 0.621 10 0 BCAERO Cc1nn(C)cc1C(=O)C[C@@H]1CC[NH2+]C1 ZINC000307669481 352749353 /nfs/dbraw/zinc/74/93/53/352749353.db2.gz SGOYYAAQPHIRBM-VIFPVBQESA-N 1 0 207.277 0.911 10 0 BCAERO CCCN1c2nccn2C2(C[NH2+]C2)CC1=O ZINC000725273422 538105121 /nfs/dbraw/zinc/10/51/21/538105121.db2.gz AUCJOIYZFMJEJU-UHFFFAOYSA-N 1 0 220.276 0.328 10 0 BCAERO [NH3+][C@H](c1ccns1)[C@@H]1COCCO1 ZINC000307677526 352755343 /nfs/dbraw/zinc/75/53/43/352755343.db2.gz MAPORPHRQGZUDU-XPUUQOCRSA-N 1 0 200.263 0.558 10 0 BCAERO O=C1CC[C@@H]2C[N@H+](CC3(O)CCC3)CCN12 ZINC000334180615 352768990 /nfs/dbraw/zinc/76/89/90/352768990.db2.gz BCSONMAYWHCBSC-SNVBAGLBSA-N 1 0 224.304 0.208 10 0 BCAERO C[C@H](C[NH3+])CNc1cnn(C)c(=O)c1Cl ZINC000420222530 192177431 /nfs/dbraw/zinc/17/74/31/192177431.db2.gz XLSQDHKJCPMMQX-ZCFIWIBFSA-N 1 0 230.699 0.440 10 0 BCAERO [NH3+]C[C@H]1CCCCN(S(=O)(=O)C2CC2)C1 ZINC000308888582 538105935 /nfs/dbraw/zinc/10/59/35/538105935.db2.gz XLVJUUIFOUASPN-SECBINFHSA-N 1 0 232.349 0.539 10 0 BCAERO COc1nc([C@@]2(O)CC[NH2+]C2)cs1 ZINC000307688465 352920908 /nfs/dbraw/zinc/92/09/08/352920908.db2.gz LZUHAJLHUFFUBE-MRVPVSSYSA-N 1 0 200.263 0.333 10 0 BCAERO CO[C@H]1C[C@@H](CNC(=O)C[C@@H]([NH3+])C(C)C)C1 ZINC000638804054 352978399 /nfs/dbraw/zinc/97/83/99/352978399.db2.gz ALILOHZDPYLQAV-OUAUKWLOSA-N 1 0 228.336 0.901 10 0 BCAERO CNC(=S)N[C@H]1CCC[N@H+](C)[C@@H]1C ZINC000306161973 352985125 /nfs/dbraw/zinc/98/51/25/352985125.db2.gz QIFZFJGJPGQDPD-SFYZADRCSA-N 1 0 201.339 0.563 10 0 BCAERO CO[C@H]1C[C@@H](CNC(=O)[C@H]2CCC[C@@H]2C[NH3+])C1 ZINC000638809620 352986513 /nfs/dbraw/zinc/98/65/13/352986513.db2.gz UAWCMZFZKFWIHG-WYUUTHIRSA-N 1 0 240.347 0.903 10 0 BCAERO CO[C@H]1C[C@@H](CNC(=O)[C@H]2CCC[C@H]2C[NH3+])C1 ZINC000638809621 352986664 /nfs/dbraw/zinc/98/66/64/352986664.db2.gz UAWCMZFZKFWIHG-YFKTTZPYSA-N 1 0 240.347 0.903 10 0 BCAERO C[C@@H]1[C@@H]([NH2+]C2CCC2)CCS1(=O)=O ZINC000306192110 352989958 /nfs/dbraw/zinc/98/99/58/352989958.db2.gz RQWLNNYQVPAUKH-APPZFPTMSA-N 1 0 203.307 0.704 10 0 BCAERO [NH3+]C1(C(=O)N[C@@H]2CCCC23CC3)CCOCC1 ZINC000638835688 353021679 /nfs/dbraw/zinc/02/16/79/353021679.db2.gz ZLRPOSMZAAFVTH-SNVBAGLBSA-N 1 0 238.331 0.943 10 0 BCAERO O=C1C[C@H]([NH2+][C@H]2CCC[C@H](O)C2)CCCN1 ZINC000638858118 353034523 /nfs/dbraw/zinc/03/45/23/353034523.db2.gz LJCCHTOFQDLAGC-AXFHLTTASA-N 1 0 226.320 0.548 10 0 BCAERO CC[C@H](C)[C@@H]([NH3+])C(=O)N[C@@H]1CCN(CC)C1=O ZINC000638825179 353006741 /nfs/dbraw/zinc/00/67/41/353006741.db2.gz MVDOUNPPRPCXKB-IVZWLZJFSA-N 1 0 241.335 0.097 10 0 BCAERO NNc1cc(NCCCF)nc(N)[nH+]1 ZINC000307158882 353058202 /nfs/dbraw/zinc/05/82/02/353058202.db2.gz SYEJWUCJKJGRJJ-UHFFFAOYSA-N 1 0 200.221 0.116 10 0 BCAERO CO[C@H](C)CCC(=O)N1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000638899985 353062370 /nfs/dbraw/zinc/06/23/70/353062370.db2.gz QVMCGQCVIOARLY-AXFHLTTASA-N 1 0 228.336 0.855 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)N2C[C@H](C)[C@@H](C[NH3+])C2)O1 ZINC000638900937 353062998 /nfs/dbraw/zinc/06/29/98/353062998.db2.gz IMHBLGXERVVKFC-ZRUFSTJUSA-N 1 0 226.320 0.607 10 0 BCAERO Cc1conc1C(=O)N1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000638901395 353063123 /nfs/dbraw/zinc/06/31/23/353063123.db2.gz JJHAIRDFKTULLP-APPZFPTMSA-N 1 0 223.276 0.650 10 0 BCAERO C[C@H]1CSCC[N@H+](CC(N)=S)C1 ZINC000307263114 353064276 /nfs/dbraw/zinc/06/42/76/353064276.db2.gz XZDOGTMKMKWOBG-SSDOTTSWSA-N 1 0 204.364 0.957 10 0 BCAERO Cc1nnsc1C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000638903838 353064835 /nfs/dbraw/zinc/06/48/35/353064835.db2.gz PNADCYKRUUKQFN-HTRCEHHLSA-N 1 0 240.332 0.513 10 0 BCAERO COC1(CC(=O)N2C[C@@H](C)[C@@H](C[NH3+])C2)CCC1 ZINC000638907450 353068887 /nfs/dbraw/zinc/06/88/87/353068887.db2.gz YMYLURQFQPMKAS-MNOVXSKESA-N 1 0 240.347 0.999 10 0 BCAERO Cc1nc(C)c(C(=O)N2C[C@@H](C)[C@@H](C[NH3+])C2)o1 ZINC000638915648 353074537 /nfs/dbraw/zinc/07/45/37/353074537.db2.gz QPHUAGQGLFEBLY-XCBNKYQSSA-N 1 0 237.303 0.958 10 0 BCAERO CCC(C)(C)CCNC(=O)[C@@H]([NH3+])COC ZINC000638865760 353039703 /nfs/dbraw/zinc/03/97/03/353039703.db2.gz JHJBJSHURLGBHL-VIFPVBQESA-N 1 0 216.325 0.903 10 0 BCAERO CCOCC(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000638888306 353049400 /nfs/dbraw/zinc/04/94/00/353049400.db2.gz XJRWBKYXKMZUOE-RKDXNWHRSA-N 1 0 200.282 0.076 10 0 BCAERO C[C@@H]1CN(C(=O)[C@H]2CCCO2)C[C@@H]1C[NH3+] ZINC000638887507 353049472 /nfs/dbraw/zinc/04/94/72/353049472.db2.gz VOVWJQVUDPWJJU-KXUCPTDWSA-N 1 0 212.293 0.219 10 0 BCAERO Cc1c(C(=O)N2C[C@H](C)[C@@H](C[NH3+])C2)cnn1C ZINC000638888675 353050110 /nfs/dbraw/zinc/05/01/10/353050110.db2.gz OLZRRMLAIIIEQY-WPRPVWTQSA-N 1 0 236.319 0.395 10 0 BCAERO CC(C)[C@H](C)[NH+]1CCN(CCO)CC1 ZINC000319455979 538107384 /nfs/dbraw/zinc/10/73/84/538107384.db2.gz AOSOKCLKQSAIFD-NSHDSACASA-N 1 0 200.326 0.641 10 0 BCAERO C[C@H]1CN(C(=O)c2cnn(C)c2)C[C@@H]1C[NH3+] ZINC000638885296 353052650 /nfs/dbraw/zinc/05/26/50/353052650.db2.gz NIFYZGKBRFVYAU-IUCAKERBSA-N 1 0 222.292 0.087 10 0 BCAERO C[C@@H]1CN(C(=O)c2cnn(C)c2)C[C@H]1C[NH3+] ZINC000638885297 353052723 /nfs/dbraw/zinc/05/27/23/353052723.db2.gz NIFYZGKBRFVYAU-RKDXNWHRSA-N 1 0 222.292 0.087 10 0 BCAERO C[C@H]1CN(C(=O)c2ccc(F)cn2)C[C@H]1C[NH3+] ZINC000638894494 353055279 /nfs/dbraw/zinc/05/52/79/353055279.db2.gz PPKNNMDEEOFWOU-DTWKUNHWSA-N 1 0 237.278 0.888 10 0 BCAERO CC(C)([NH3+])C(=O)Nc1cc(Cl)ncn1 ZINC000232527255 353106994 /nfs/dbraw/zinc/10/69/94/353106994.db2.gz BWBFXOAOZUXOCL-UHFFFAOYSA-N 1 0 214.656 0.806 10 0 BCAERO O=C([C@@H](F)C1C[NH2+]C1)N1CCSCC1 ZINC000307717768 353108416 /nfs/dbraw/zinc/10/84/16/353108416.db2.gz KDLUVWSTQNAMOW-QMMMGPOBSA-N 1 0 218.297 0.119 10 0 BCAERO Cc1nn(C)cc1C(=O)N1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000638919488 353084383 /nfs/dbraw/zinc/08/43/83/353084383.db2.gz XVVBRYVEKQBKDQ-WPRPVWTQSA-N 1 0 236.319 0.395 10 0 BCAERO CC(C)[NH+](CCNCC(N)=O)C(C)C ZINC000020039335 188005934 /nfs/dbraw/zinc/00/59/34/188005934.db2.gz FNXBPRIMMBYYRG-UHFFFAOYSA-N 1 0 201.314 0.180 10 0 BCAERO [NH3+][C@@H]1CCCN1[S@@](=O)C1CCCC1 ZINC000307738583 353122311 /nfs/dbraw/zinc/12/23/11/353122311.db2.gz XAZSLUVZFMKWOF-ZANVPECISA-N 1 0 202.323 0.973 10 0 BCAERO CC(C)NC(=O)[C@H](C)O[C@H]1CCC[NH2+]C1 ZINC000020422776 188006930 /nfs/dbraw/zinc/00/69/30/188006930.db2.gz BVAURDHIWFOHCD-UWVGGRQHSA-N 1 0 214.309 0.668 10 0 BCAERO CC(=O)NCC[NH2+][C@H]1CCCSC1 ZINC000061572141 188012259 /nfs/dbraw/zinc/01/22/59/188012259.db2.gz HLQHONABXYPACT-VIFPVBQESA-N 1 0 202.323 0.608 10 0 BCAERO CC(C)Cn1ccnc(NCC[NH3+])c1=O ZINC000061761721 188014062 /nfs/dbraw/zinc/01/40/62/188014062.db2.gz JSBMFWIHKLIJBS-UHFFFAOYSA-N 1 0 210.281 0.270 10 0 BCAERO CC(C)(C[NH3+])NC(=O)c1ccc(=O)oc1 ZINC000063020288 188015070 /nfs/dbraw/zinc/01/50/70/188015070.db2.gz NPECWZGUIITNPA-UHFFFAOYSA-N 1 0 210.233 0.107 10 0 BCAERO CC[C@@H](O)C[NH2+]Cc1cc(SC)n[nH]1 ZINC000095629063 188016124 /nfs/dbraw/zinc/01/61/24/188016124.db2.gz FQSLLYNLYZCQSD-MRVPVSSYSA-N 1 0 215.322 0.992 10 0 BCAERO CC(C)([NH3+])CO[C@H]1CCCCNC1=O ZINC000232574226 353136679 /nfs/dbraw/zinc/13/66/79/353136679.db2.gz YUGFITAPEKPUJF-QMMMGPOBSA-N 1 0 200.282 0.409 10 0 BCAERO CCCCOC[C@H](O)C[N@H+](C)CC(C)(C)O ZINC000193251370 188004130 /nfs/dbraw/zinc/00/41/30/188004130.db2.gz HUDGSIPUOLYXOQ-LLVKDONJSA-N 1 0 233.352 0.867 10 0 BCAERO Cc1ccccc1[C@@H](C[NH3+])N(C)CCO ZINC000020225425 188005187 /nfs/dbraw/zinc/00/51/87/188005187.db2.gz AGFUZIVXNQKNHS-GFCCVEGCSA-N 1 0 208.305 0.919 10 0 BCAERO Cn1ccs/c1=N\C(=O)[C@H]1CCC[NH2+]1 ZINC000073343889 188047797 /nfs/dbraw/zinc/04/77/97/188047797.db2.gz WYMHBCPTSYEUFH-BRSPZTEKSA-N 1 0 211.290 0.266 10 0 BCAERO CC(C)N(CC(N)=O)C(=O)[C@@H]1CCC[NH2+][C@H]1C ZINC000094647741 188049621 /nfs/dbraw/zinc/04/96/21/188049621.db2.gz FCMQFPOKQDUWTM-VHSXEESVSA-N 1 0 241.335 0.097 10 0 BCAERO C[C@@H]1C[C@@H](NC(=O)[C@H]2CC[NH2+]C2)[C@@H](C)O1 ZINC000638944052 353144971 /nfs/dbraw/zinc/14/49/71/353144971.db2.gz NXXBRRKNAURMDU-DOLQZWNJSA-N 1 0 212.293 0.278 10 0 BCAERO C[C@@H]1C[NH2+]C[C@@H]1C(=O)c1cccnc1N ZINC000226379370 353174625 /nfs/dbraw/zinc/17/46/25/353174625.db2.gz YUGRAHAZVXFXEV-APPZFPTMSA-N 1 0 205.261 0.702 10 0 BCAERO OC[C@H](c1cscn1)N1CC[NH2+]CC1 ZINC000126752756 353250997 /nfs/dbraw/zinc/25/09/97/353250997.db2.gz OTKLOFNTRZKRJK-SECBINFHSA-N 1 0 213.306 0.082 10 0 BCAERO Cn1nc(CC[NH+]2CCCC2)[nH]c1=S ZINC000127732154 353272130 /nfs/dbraw/zinc/27/21/30/353272130.db2.gz KDVFUFORUFRFIE-UHFFFAOYSA-N 1 0 212.322 0.742 10 0 BCAERO Cn1ncnc1SC[C@@H]1CCC[NH2+]C1 ZINC000127978498 353279437 /nfs/dbraw/zinc/27/94/37/353279437.db2.gz RKWGFRAZYPBHCQ-MRVPVSSYSA-N 1 0 212.322 0.907 10 0 BCAERO COCc1cc(=O)[nH]c(NC2CC[NH2+]CC2)n1 ZINC000057329788 188258558 /nfs/dbraw/zinc/25/85/58/188258558.db2.gz PUESJBJHFRUKDY-UHFFFAOYSA-N 1 0 238.291 0.080 10 0 BCAERO CC(=O)N1CCC[N@@H+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000051770215 188258581 /nfs/dbraw/zinc/25/85/81/188258581.db2.gz LTWAYSJAVJLTCP-OLZOCXBDSA-N 1 0 240.347 0.844 10 0 BCAERO OCC[C@@H]1CC[N@H+](CCn2cccn2)C1 ZINC000161611391 353291170 /nfs/dbraw/zinc/29/11/70/353291170.db2.gz IHPYLKYMJZYEJX-NSHDSACASA-N 1 0 209.293 0.587 10 0 BCAERO CC(C)[C@H](Cn1cccn1)[NH2+]CCn1cncn1 ZINC000294340083 188268867 /nfs/dbraw/zinc/26/88/67/188268867.db2.gz YJFYACNREYASEQ-LBPRGKRZSA-N 1 0 248.334 0.789 10 0 BCAERO C[NH+](C)CCOC(=O)c1cncc(F)c1 ZINC000003615513 188275968 /nfs/dbraw/zinc/27/59/68/188275968.db2.gz YMMBHKNLOOIXRY-UHFFFAOYSA-N 1 0 212.224 0.939 10 0 BCAERO CC(=O)NCCNc1[nH+]cc(C)cc1N ZINC000036226358 188278777 /nfs/dbraw/zinc/27/87/77/188278777.db2.gz YXFBEJFEBCNOKX-UHFFFAOYSA-N 1 0 208.265 0.520 10 0 BCAERO COc1ccc(OC[C@H](O)CC[NH3+])cc1 ZINC000020399765 188282424 /nfs/dbraw/zinc/28/24/24/188282424.db2.gz BBTDUKRYKVNBSU-SECBINFHSA-N 1 0 211.261 0.784 10 0 BCAERO CC(C)CNC(=O)[C@H](C)[NH2+]CC(=O)NC(C)C ZINC000035148331 188284843 /nfs/dbraw/zinc/28/48/43/188284843.db2.gz UHSIJKRYOWCGJI-JTQLQIEISA-N 1 0 243.351 0.261 10 0 BCAERO CC(C)(CO)NC(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000070502742 188285730 /nfs/dbraw/zinc/28/57/30/188285730.db2.gz CQECCALJEMUNLZ-BDAKNGLRSA-N 1 0 214.309 0.391 10 0 BCAERO CC(C)[C@H](C)N(C)S(=O)(=O)N1CC[NH2+]CC1 ZINC000036787636 188285966 /nfs/dbraw/zinc/28/59/66/188285966.db2.gz DMQKMZDUWJKDLB-JTQLQIEISA-N 1 0 249.380 0.113 10 0 BCAERO CC(=O)NCCn1c(N)[nH+]c2ccccc21 ZINC000036746518 188286441 /nfs/dbraw/zinc/28/64/41/188286441.db2.gz ZQLKYIMYNYOBNM-UHFFFAOYSA-N 1 0 218.260 0.755 10 0 BCAERO CC(C)[C@H](C)[NH2+][C@H]1CC(=O)N(C2CC2)C1=O ZINC000036851504 188286452 /nfs/dbraw/zinc/28/64/52/188286452.db2.gz OLUHHSCYVCEGBD-WPRPVWTQSA-N 1 0 224.304 0.910 10 0 BCAERO CN(C(=O)CCn1cccn1)[C@H]1CCC[NH2+]C1 ZINC000037540921 188287294 /nfs/dbraw/zinc/28/72/94/188287294.db2.gz KBSQZDSVNRBDPS-NSHDSACASA-N 1 0 236.319 0.484 10 0 BCAERO [NH3+][C@@H](C(=O)N1CCC[C@@H]1CO)c1ccccc1 ZINC000042434861 188293334 /nfs/dbraw/zinc/29/33/34/188293334.db2.gz XVXCVJLKAMQGKX-VXGBXAGGSA-N 1 0 234.299 0.670 10 0 BCAERO CC(C)COC[C@H](O)C[NH2+]CCn1cccn1 ZINC000042540634 188293986 /nfs/dbraw/zinc/29/39/86/188293986.db2.gz SQZBWFNCNOBYJG-GFCCVEGCSA-N 1 0 241.335 0.506 10 0 BCAERO CC(C)[C@H](C[NH+](C)C)NC(=O)c1cc(N)c[nH]1 ZINC000049191944 188299067 /nfs/dbraw/zinc/29/90/67/188299067.db2.gz CRVFSFYWKXRYDR-NSHDSACASA-N 1 0 238.335 0.913 10 0 BCAERO CC(C)N(CC1CC1)[C@H]1CS(=O)(=O)C[C@@H]1[NH3+] ZINC000054493389 188300201 /nfs/dbraw/zinc/30/02/01/188300201.db2.gz BXIWFJYYJSBROW-QWRGUYRKSA-N 1 0 246.376 0.231 10 0 BCAERO CC(C)(NC(=O)[C@H](C[NH3+])c1ccccc1)C(N)=O ZINC000061612579 188302657 /nfs/dbraw/zinc/30/26/57/188302657.db2.gz VLWWRFGWDXGRQH-SNVBAGLBSA-N 1 0 249.314 0.109 10 0 BCAERO COCc1cc(=O)[nH]c([C@H]2CCCC[NH2+]2)n1 ZINC000070946805 188305969 /nfs/dbraw/zinc/30/59/69/188305969.db2.gz CEYSHCNIUGTRFB-SECBINFHSA-N 1 0 223.276 0.731 10 0 BCAERO CC(=O)[N-]c1cn(Cc2ccccc2)n[o+]1 ZINC000078107173 188259074 /nfs/dbraw/zinc/25/90/74/188259074.db2.gz WSYXFQCSVWUXPZ-UHFFFAOYSA-O 1 0 218.236 0.969 10 0 BCAERO CC(C)(C)[C@H]([NH3+])Cc1nc(-c2nc[nH]n2)no1 ZINC000104065819 188324152 /nfs/dbraw/zinc/32/41/52/188324152.db2.gz REKHXUZABCZHBH-ZCFIWIBFSA-N 1 0 236.279 0.771 10 0 BCAERO Cn1ncc(Br)c1[C@@H](O)C[NH3+] ZINC000076166897 188309560 /nfs/dbraw/zinc/30/95/60/188309560.db2.gz VUJJAIVIWKFOGX-YFKPBYRVSA-N 1 0 220.070 0.175 10 0 BCAERO [NH3+][C@@]1([C@H]2CCSC2)CCS(=O)(=O)C1 ZINC000405383809 353319885 /nfs/dbraw/zinc/31/98/85/353319885.db2.gz KEMVJWBRTVTDJO-YUMQZZPRSA-N 1 0 221.347 0.256 10 0 BCAERO CC(C)(CNC(=O)[C@H]1CCC[C@@H]([NH3+])C1)C(N)=O ZINC000226319027 188330688 /nfs/dbraw/zinc/33/06/88/188330688.db2.gz OKLDNRPRBOJTGK-DTWKUNHWSA-N 1 0 241.335 0.132 10 0 BCAERO C[C@@H](C(=O)N1C[C@@H](C)OC[C@@H]1C)C1C[NH2+]C1 ZINC000227138268 188330843 /nfs/dbraw/zinc/33/08/43/188330843.db2.gz HPMMISIISMKTCI-IVZWLZJFSA-N 1 0 226.320 0.478 10 0 BCAERO CCn1nnc(C2=CCC[N@H+](CC)C2)n1 ZINC000013739802 188343557 /nfs/dbraw/zinc/34/35/57/188343557.db2.gz RYUSRFZDDKHDHC-UHFFFAOYSA-N 1 0 207.281 0.802 10 0 BCAERO Cc1cc(C[NH2+]C2CCN(CCO)CC2)ccn1 ZINC000398960460 353387617 /nfs/dbraw/zinc/38/76/17/353387617.db2.gz MCEPDFNDCPEYFA-UHFFFAOYSA-N 1 0 249.358 0.936 10 0 BCAERO CC(C)(C)n1ccnc(OCC[NH3+])c1=O ZINC000061771692 188360654 /nfs/dbraw/zinc/36/06/54/188360654.db2.gz VTKKGEJMFQBWKR-UHFFFAOYSA-N 1 0 211.265 0.336 10 0 BCAERO CC(C)(C[NH3+])[C@@H]1COCC12OCCO2 ZINC000299805557 188397350 /nfs/dbraw/zinc/39/73/50/188397350.db2.gz UWHYSKFCPWYJPJ-QMMMGPOBSA-N 1 0 201.266 0.361 10 0 BCAERO Cc1c(CN2C[C@@H](C)[NH2+]C[C@H]2C)cnn1C ZINC000250885714 188402002 /nfs/dbraw/zinc/40/20/02/188402002.db2.gz HBHRECCSBKCVFP-NXEZZACHSA-N 1 0 222.336 0.911 10 0 BCAERO CC1(C)CCN(C(=O)[C@H]2C[C@@H](O)C[NH2+]2)CC1 ZINC000061821064 353540956 /nfs/dbraw/zinc/54/09/56/353540956.db2.gz GLRHMTZIICNASD-NXEZZACHSA-N 1 0 226.320 0.358 10 0 BCAERO C[N@H+](CCN1CCOCC1)[C@H]1CCC[NH2+]CC1 ZINC000231669030 353642445 /nfs/dbraw/zinc/64/24/45/353642445.db2.gz PPXIXRXFAHUWQD-ZDUSSCGKSA-N 1 0 241.379 0.393 10 0 BCAERO Cc1noc(CN(C)[C@@H]2CCC[NH2+]CC2)n1 ZINC000231669558 353642481 /nfs/dbraw/zinc/64/24/81/353642481.db2.gz BGCJNYPRVDWENP-SNVBAGLBSA-N 1 0 224.308 0.952 10 0 BCAERO C[C@H]([NH2+][C@H]1CCCCC[C@H]1O)C(N)=O ZINC000252450619 363257699 /nfs/dbraw/zinc/25/76/99/363257699.db2.gz PVIPRRREBMNULX-XHNCKOQMSA-N 1 0 200.282 0.143 10 0 BCAERO [NH3+][C@@H]1COC[C@@H]1c1csc(CO)n1 ZINC000165844405 353744985 /nfs/dbraw/zinc/74/49/85/353744985.db2.gz GNNXVMUWYOCNMG-NTSWFWBYSA-N 1 0 200.263 0.077 10 0 BCAERO CN1C(=O)N(c2cccnc2)[C@H]2C[NH2+]CC[C@@H]21 ZINC000606303664 353860877 /nfs/dbraw/zinc/86/08/77/353860877.db2.gz YNLJOSBUQXQREX-QWRGUYRKSA-N 1 0 232.287 0.684 10 0 BCAERO CO[C@@H]1CN(Cc2cc(C)no2)[C@@](C)(C[NH3+])C1 ZINC000630079610 363290852 /nfs/dbraw/zinc/29/08/52/363290852.db2.gz YUWMLLHFTHQKQR-NWDGAFQWSA-N 1 0 239.319 0.921 10 0 BCAERO COC[C@@H]([NH3+])C(=O)Nc1cncc(C)c1 ZINC000232077742 363361555 /nfs/dbraw/zinc/36/15/55/363361555.db2.gz CNQKHTAWNRNVIY-SECBINFHSA-N 1 0 209.249 0.302 10 0 BCAERO CCc1nnc(NC(=O)[C@H]([NH3+])COC)s1 ZINC000232265208 363366684 /nfs/dbraw/zinc/36/66/84/363366684.db2.gz KLVAQSXRWAQTDF-RXMQYKEDSA-N 1 0 230.293 0.013 10 0 BCAERO CO[C@H](C)C(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000113229533 354275678 /nfs/dbraw/zinc/27/56/78/354275678.db2.gz SBOGDELYASHIHU-GMTAPVOTSA-N 1 0 226.320 0.716 10 0 BCAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@@H]1CCCO1 ZINC000113233753 354322091 /nfs/dbraw/zinc/32/20/91/354322091.db2.gz DCDFFLZQRSEIIS-UTUOFQBUSA-N 1 0 238.331 0.861 10 0 BCAERO C[C@@H]1CN(C(=O)C(C)(C)O)C[C@H]1[NH+](C)C ZINC000235293184 363441134 /nfs/dbraw/zinc/44/11/34/363441134.db2.gz NGGUCIPQBPDKAZ-RKDXNWHRSA-N 1 0 214.309 0.166 10 0 BCAERO C[C@@H]1CN(C(=O)c2ccccn2)C[C@@H]1[NH3+] ZINC000235370101 363442864 /nfs/dbraw/zinc/44/28/64/363442864.db2.gz GOZJWILMWAIXMH-BDAKNGLRSA-N 1 0 205.261 0.501 10 0 BCAERO OC[C@H]1C[C@@H](O)CN1Cc1cncc(F)c1 ZINC000346994210 355192857 /nfs/dbraw/zinc/19/28/57/355192857.db2.gz ZVPZRXHLGSDIKW-GHMZBOCLSA-N 1 0 226.251 0.148 10 0 BCAERO NC(=[NH2+])CCN1CCN(c2nccs2)CC1 ZINC000019437711 181186806 /nfs/dbraw/zinc/18/68/06/181186806.db2.gz UFKLKBWPLQXNFW-UHFFFAOYSA-N 1 0 239.348 0.591 10 0 BCAERO CC(C)[C@H]([NH3+])C(=O)Nc1cnns1 ZINC000166283190 355351775 /nfs/dbraw/zinc/35/17/75/355351775.db2.gz BXIMAUIGRMHCBB-LURJTMIESA-N 1 0 200.267 0.460 10 0 BCAERO CC(C)(C[NH3+])C(=O)Nc1cnns1 ZINC000166300639 355357623 /nfs/dbraw/zinc/35/76/23/355357623.db2.gz VUQLUCPNIVMYAC-UHFFFAOYSA-N 1 0 200.267 0.462 10 0 BCAERO CN1CCN(C)[C@@H](c2nc(Cl)n[nH]2)C1 ZINC000226083622 355362421 /nfs/dbraw/zinc/36/24/21/355362421.db2.gz SZDQDFIYPQILAN-ZCFIWIBFSA-N 1 0 215.688 0.376 10 0 BCAERO NC(=[NH2+])Nc1ccc(Cn2cnnc2)cc1 ZINC000058824958 181190655 /nfs/dbraw/zinc/19/06/55/181190655.db2.gz JXELVVRKARPWAS-UHFFFAOYSA-N 1 0 216.248 0.632 10 0 BCAERO [NH2+]=C(NC1CCCCC1)N1CCNC(=O)CC1 ZINC000062101703 181199321 /nfs/dbraw/zinc/19/93/21/181199321.db2.gz DTNBXHZFTILMKF-UHFFFAOYSA-N 1 0 238.335 0.665 10 0 BCAERO CO[C@@H](C)C[NH2+]CC1(O)CCOCC1 ZINC000167121375 491081589 /nfs/dbraw/zinc/08/15/89/491081589.db2.gz ZVVNYBMNFMLYRS-VIFPVBQESA-N 1 0 203.282 0.152 10 0 BCAERO CO[C@H](C[NH2+]C[C@H]1CC(=O)N(C)C1)C1CC1 ZINC000639319475 355711855 /nfs/dbraw/zinc/71/18/55/355711855.db2.gz CWCDPMHJHMBYOY-MWLCHTKSSA-N 1 0 226.320 0.479 10 0 BCAERO Cc1nnsc1C[NH2+]C[C@@H]1CC(=O)N(C)C1 ZINC000639319603 355719867 /nfs/dbraw/zinc/71/98/67/355719867.db2.gz FFWMYVPIQJVCAL-QMMMGPOBSA-N 1 0 240.332 0.414 10 0 BCAERO C[C@@H]1C[C@H](C[N@@H+]2C[C@H](O)C[C@@H]2CO)CCO1 ZINC000350317544 355672915 /nfs/dbraw/zinc/67/29/15/355672915.db2.gz LYERXDRWIQLGCC-DDHJBXDOSA-N 1 0 229.320 0.229 10 0 BCAERO C[C@H]([NH3+])c1ccc(NC(=O)[C@@H]2CNC(=O)C2)cc1 ZINC000335890331 355682023 /nfs/dbraw/zinc/68/20/23/355682023.db2.gz ZZSIEDZXBHPRQL-WPRPVWTQSA-N 1 0 247.298 0.781 10 0 BCAERO C[N@H+](CC(N)=S)[C@H]1CCCC[C@@H]1O ZINC000166628014 355729875 /nfs/dbraw/zinc/72/98/75/355729875.db2.gz MODLRRSOHBSZAQ-YUMQZZPRSA-N 1 0 202.323 0.508 10 0 BCAERO C[C@H]1CN(CC(C)(C)[NH3+])S(=O)(=O)C1 ZINC000168417343 355803510 /nfs/dbraw/zinc/80/35/10/355803510.db2.gz PUQXAOBNYTWSDD-ZETCQYMHSA-N 1 0 206.311 0.005 10 0 BCAERO C[NH2+]C1(C)CCN(S(C)(=O)=O)CC1 ZINC000168456823 355835164 /nfs/dbraw/zinc/83/51/64/355835164.db2.gz UHBVFMIZVOIEEY-UHFFFAOYSA-N 1 0 206.311 0.020 10 0 BCAERO NC(=O)C1CC[NH+](CCCC(N)=S)CC1 ZINC000019423841 181216541 /nfs/dbraw/zinc/21/65/41/181216541.db2.gz MLXSOBZSURQCOG-UHFFFAOYSA-N 1 0 229.349 0.250 10 0 BCAERO CN1CCC[C@H]([N@H+](C)CC(C)(C)O)C1 ZINC000053246916 355869832 /nfs/dbraw/zinc/86/98/32/355869832.db2.gz YMTUECPLQLAGTN-JTQLQIEISA-N 1 0 200.326 0.783 10 0 BCAERO CC[N@@H+]1CC[C@@H](Nc2nccc(OC)n2)C1 ZINC000389236059 355934068 /nfs/dbraw/zinc/93/40/68/355934068.db2.gz BZZGVDDOSULVTN-SECBINFHSA-N 1 0 222.292 0.991 10 0 BCAERO NC(=O)C1CCN(C[C@H]2CCCC[NH2+]2)CC1 ZINC000043493867 181216787 /nfs/dbraw/zinc/21/67/87/181216787.db2.gz PHRLFCVAVVFIAK-LLVKDONJSA-N 1 0 225.336 0.326 10 0 BCAERO NC(=O)CC[N@@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000042247946 181224700 /nfs/dbraw/zinc/22/47/00/181224700.db2.gz ZPTMECYSMASCIE-VHSXEESVSA-N 1 0 212.293 0.505 10 0 BCAERO NC(=O)CCN1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000063190346 181222772 /nfs/dbraw/zinc/22/27/72/181222772.db2.gz OMROOZIVFWMSFD-QWRGUYRKSA-N 1 0 225.336 0.468 10 0 BCAERO NC(=O)CNCc1c(F)cccc1F ZINC000022173465 181235570 /nfs/dbraw/zinc/23/55/70/181235570.db2.gz XFZFJPDNJUGVGV-UHFFFAOYSA-N 1 0 200.188 0.540 10 0 BCAERO NC(=O)C[NH2+][C@@H]1CCN(CCc2ccccc2)C1 ZINC000040671056 181236381 /nfs/dbraw/zinc/23/63/81/181236381.db2.gz PDOWLYQFJZQKTD-CYBMUJFWSA-N 1 0 247.342 0.378 10 0 BCAERO NC(=O)CC[NH2+][C@@H]1CCCCC[C@@H]1O ZINC000037891660 181225367 /nfs/dbraw/zinc/22/53/67/181225367.db2.gz ALOSIKOPCOWTHT-BDAKNGLRSA-N 1 0 200.282 0.145 10 0 BCAERO NC(=O)CC[C@H]([NH3+])c1ccc2c(c1)COC2 ZINC000062334062 181228153 /nfs/dbraw/zinc/22/81/53/181228153.db2.gz SUQDXSLOEFWYCU-NSHDSACASA-N 1 0 220.272 0.982 10 0 BCAERO NC(=O)CN(C1CCCC1)[C@H]1CC[NH2+]C1 ZINC000051783344 181229217 /nfs/dbraw/zinc/22/92/17/181229217.db2.gz MZZDPRSZKMVAHC-JTQLQIEISA-N 1 0 211.309 0.078 10 0 BCAERO NC(=O)C[NH+]1CCC(Cn2cccn2)CC1 ZINC000090473196 181230588 /nfs/dbraw/zinc/23/05/88/181230588.db2.gz YBRKBZPLUZSCAA-UHFFFAOYSA-N 1 0 222.292 0.080 10 0 BCAERO NC(=O)N1CCC([NH2+]CCn2cccn2)CC1 ZINC000042539566 181250318 /nfs/dbraw/zinc/25/03/18/181250318.db2.gz MYJKCUWKXDJBMU-UHFFFAOYSA-N 1 0 237.307 0.016 10 0 BCAERO NC(=O)C[C@@H]([NH3+])c1ccc2c(c1)OCO2 ZINC000036904300 181242043 /nfs/dbraw/zinc/24/20/43/181242043.db2.gz BCEAGWYNRIWXMP-SSDOTTSWSA-N 1 0 208.217 0.291 10 0 BCAERO NC(=O)N1CCC([NH2+]C[C@@H]2CCOC2)CC1 ZINC000037738932 181250948 /nfs/dbraw/zinc/25/09/48/181250948.db2.gz IZNJFMUBHRSYSO-VIFPVBQESA-N 1 0 227.308 0.156 10 0 BCAERO NC(=O)C[C@H]([NH3+])c1cc2c(c(Cl)c1)OCO2 ZINC000036897096 181244516 /nfs/dbraw/zinc/24/45/16/181244516.db2.gz BHDWXQFKJUCZKI-ZETCQYMHSA-N 1 0 242.662 0.944 10 0 BCAERO NC(=O)C[C@H]([NH3+])c1cc(F)c(F)c(F)c1 ZINC000044251439 181245037 /nfs/dbraw/zinc/24/50/37/181245037.db2.gz IQGYSDWUDSYORY-ZETCQYMHSA-N 1 0 218.178 0.979 10 0 BCAERO NC(=O)Cn1c(N)[nH+]c2cc(F)ccc21 ZINC000036899009 181248201 /nfs/dbraw/zinc/24/82/01/181248201.db2.gz PZQMBKYLKMLRLT-UHFFFAOYSA-N 1 0 208.196 0.243 10 0 BCAERO NC(=O)NC(=O)C[NH2+]C1CCCCCC1 ZINC000037388268 181254106 /nfs/dbraw/zinc/25/41/06/181254106.db2.gz ULGOZHJEGWXICY-UHFFFAOYSA-N 1 0 213.281 0.494 10 0 BCAERO NC(=O)NC(=O)C[NH2+]C1CCCCCCC1 ZINC000020046415 181254820 /nfs/dbraw/zinc/25/48/20/181254820.db2.gz RKJJHVAMETYONL-UHFFFAOYSA-N 1 0 227.308 0.884 10 0 BCAERO CC(C)n1ccnc1CN1CC[C@@H]([NH3+])C1 ZINC000336112081 134086897 /nfs/dbraw/zinc/08/68/97/134086897.db2.gz GPOOIZGGZWVGAS-SNVBAGLBSA-N 1 0 208.309 0.997 10 0 BCAERO O[C@H]1C[NH2+]C[C@@H]1CNc1cnc2ccccc2n1 ZINC000420259683 192190443 /nfs/dbraw/zinc/19/04/43/192190443.db2.gz ZBKPYNOFOIRKSW-SKDRFNHKSA-N 1 0 244.298 0.622 10 0 BCAERO NC(=O)[C@@H]([NH2+]C1CCCCC1)[C@@H]1CCOC1 ZINC000037969686 181265524 /nfs/dbraw/zinc/26/55/24/181265524.db2.gz OBWVCUFYJFDARS-KOLCDFICSA-N 1 0 226.320 0.799 10 0 BCAERO NC(=O)[C@@H](C1CCCC1)N1CCC[NH2+]CC1 ZINC000050272545 181263722 /nfs/dbraw/zinc/26/37/22/181263722.db2.gz AEEDAIMLOFGPJI-LLVKDONJSA-N 1 0 225.336 0.326 10 0 BCAERO NC(=O)[C@@H](O)[C@H]([NH3+])CC1CCCCC1 ZINC000034304247 181266643 /nfs/dbraw/zinc/26/66/43/181266643.db2.gz YUQDGODESZLSPH-BDAKNGLRSA-N 1 0 200.282 0.130 10 0 BCAERO CC1(C)CO[C@H](CN2CCO[C@H](CO)C2)C1 ZINC000639514717 356355591 /nfs/dbraw/zinc/35/55/91/356355591.db2.gz PUVCXMXBUOTOAZ-QWRGUYRKSA-N 1 0 229.320 0.495 10 0 BCAERO NC(=O)[C@@H]1CCCN1c1cc(N)cc[nH+]1 ZINC000043568138 181270426 /nfs/dbraw/zinc/27/04/26/181270426.db2.gz LUCRVBGEGAGXGT-QMMMGPOBSA-N 1 0 206.249 0.118 10 0 BCAERO NC(=O)[C@@]1(O)CCC[N@H+](C/C=C/Cl)C1 ZINC000286148209 181276149 /nfs/dbraw/zinc/27/61/49/181276149.db2.gz LALFOMCWXNJYSU-HDMKULJXSA-N 1 0 218.684 0.051 10 0 BCAERO NC(=O)[C@@]1(O)CCC[N@H+](CCc2ccccc2)C1 ZINC000284887158 181276421 /nfs/dbraw/zinc/27/64/21/181276421.db2.gz QZLDRAGHSOHLAS-CQSZACIVSA-N 1 0 248.326 0.541 10 0 BCAERO NC(=O)[C@H]([NH3+])COc1cc(F)cc(F)c1 ZINC000054934002 181276804 /nfs/dbraw/zinc/27/68/04/181276804.db2.gz PPWXXFOYCGMLKT-MRVPVSSYSA-N 1 0 216.187 0.156 10 0 BCAERO NC(=O)[C@H]([NH2+]C1CCCCC1)[C@@H]1CCOC1 ZINC000037969687 181278912 /nfs/dbraw/zinc/27/89/12/181278912.db2.gz OBWVCUFYJFDARS-MWLCHTKSSA-N 1 0 226.320 0.799 10 0 BCAERO NC(=O)[C@H]1CCCN(CC(=O)c2ccco2)C1 ZINC000035036797 181281220 /nfs/dbraw/zinc/28/12/20/181281220.db2.gz WJDOBDVPCWDWMP-VIFPVBQESA-N 1 0 236.271 0.660 10 0 BCAERO NC(=O)[C@]1([NH3+])CCSc2ccccc21 ZINC000037870575 181285248 /nfs/dbraw/zinc/28/52/48/181285248.db2.gz WKTAJTRHGDTMRJ-JTQLQIEISA-N 1 0 208.286 0.822 10 0 BCAERO NC(=O)[C@]1([NH2+]C[C@@H]2CCCO2)CCSC1 ZINC000037942915 181285252 /nfs/dbraw/zinc/28/52/52/181285252.db2.gz PTQWLPWYNBAOOD-WPRPVWTQSA-N 1 0 230.333 0.116 10 0 BCAERO NC(=O)[C@]1(O)CCC[N@@H+]([C@H]2C=CCCC2)C1 ZINC000286314160 181285293 /nfs/dbraw/zinc/28/52/93/181285293.db2.gz VNSXPJUWRPPJJC-JQWIXIFHSA-N 1 0 224.304 0.407 10 0 BCAERO NC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(O)c(N)c1 ZINC000037273046 181282459 /nfs/dbraw/zinc/28/24/59/181282459.db2.gz DYKHBYMBILQDBT-SNVBAGLBSA-N 1 0 235.287 0.424 10 0 BCAERO NC(=O)[C@H]1C[NH2+]C[C@@H](c2ccccc2)C1 ZINC000082163216 181283413 /nfs/dbraw/zinc/28/34/13/181283413.db2.gz FLBLONKUAGMTEW-WDEREUQCSA-N 1 0 204.273 0.865 10 0 BCAERO CCC(=O)NC[C@@]1(CC)C[NH2+]CCO1 ZINC000675059045 538482863 /nfs/dbraw/zinc/48/28/63/538482863.db2.gz IFCJKAIHDXLIAY-SNVBAGLBSA-N 1 0 200.282 0.281 10 0 BCAERO CC(C)CNC(=O)N1CCO[C@@](C)(C[NH3+])C1 ZINC000675059312 538483043 /nfs/dbraw/zinc/48/30/43/538483043.db2.gz NUUSMXFAYOCCSH-NSHDSACASA-N 1 0 229.324 0.402 10 0 BCAERO CC[C@]1(C[NH3+])CN(C(=O)C2(C)CC2)CCO1 ZINC000675058948 538483208 /nfs/dbraw/zinc/48/32/08/538483208.db2.gz DKFZINMIXFPBHE-LBPRGKRZSA-N 1 0 226.320 0.753 10 0 BCAERO CCC[C@@]1(C[NH3+])CN(C(=O)NC(C)C)CCO1 ZINC000675059108 538483212 /nfs/dbraw/zinc/48/32/12/538483212.db2.gz KOPOIAFQWWZJRE-GFCCVEGCSA-N 1 0 243.351 0.934 10 0 BCAERO CCCC(=O)N1CCO[C@@](C)(C[NH3+])C1 ZINC000675059106 538483221 /nfs/dbraw/zinc/48/32/21/538483221.db2.gz KODSCFRTMCLMMG-JTQLQIEISA-N 1 0 200.282 0.363 10 0 BCAERO CC(C)(C)C(=O)NC[C@@]1(C)C[NH2+]CCO1 ZINC000675059041 538483442 /nfs/dbraw/zinc/48/34/42/538483442.db2.gz IADARWOOLOTRSD-LLVKDONJSA-N 1 0 214.309 0.527 10 0 BCAERO Nc1c(F)ccc([C@@H]2C[NH2+]CCN2)c1F ZINC000675059017 538483541 /nfs/dbraw/zinc/48/35/41/538483541.db2.gz GTNRLGJECBYTOK-QMMMGPOBSA-N 1 0 213.231 0.781 10 0 BCAERO Cc1cnc(N2C[C@H](C)[C@@H](C[NH3+])C2)nc1 ZINC000630094623 363537684 /nfs/dbraw/zinc/53/76/84/363537684.db2.gz VOEAAOVXJAVPRL-UWVGGRQHSA-N 1 0 206.293 0.816 10 0 BCAERO CC(C)[C@H](C)C(=O)N(C1C[NH2+]C1)C1COC1 ZINC000675056865 538478739 /nfs/dbraw/zinc/47/87/39/538478739.db2.gz XJSRPHWNCFMPET-VIFPVBQESA-N 1 0 226.320 0.478 10 0 BCAERO CCCS(=O)(=O)N1CC[C@@]2(C[NH3+])CCC[C@@H]12 ZINC000675056869 538478946 /nfs/dbraw/zinc/47/89/46/538478946.db2.gz XNQJIYGRKXDHMS-GHMZBOCLSA-N 1 0 246.376 0.930 10 0 BCAERO CC[C@@]1(CNC(=O)NC(C)C)C[NH2+]CCO1 ZINC000675059480 538484557 /nfs/dbraw/zinc/48/45/57/538484557.db2.gz QAWBBAPIPJLAKX-NSHDSACASA-N 1 0 229.324 0.463 10 0 BCAERO C[C@]1(CNC(=O)C2CCC2)C[NH2+]CCO1 ZINC000675059736 538484785 /nfs/dbraw/zinc/48/47/85/538484785.db2.gz WBFAYLBVKAFJJS-LLVKDONJSA-N 1 0 212.293 0.281 10 0 BCAERO CCC(=O)N[C@H]1C[NH2+]C[C@@H]1C(F)(F)F ZINC000675059662 538484862 /nfs/dbraw/zinc/48/48/62/538484862.db2.gz KVNPLURTSORQMP-WDSKDSINSA-N 1 0 210.199 0.663 10 0 BCAERO CCC[C@]1(CNC(=O)C(C)C)C[NH2+]CCO1 ZINC000675059704 538484932 /nfs/dbraw/zinc/48/49/32/538484932.db2.gz UVKSPONYIGATBD-GFCCVEGCSA-N 1 0 228.336 0.917 10 0 BCAERO CC(C)CC(=O)NC[C@]1(C)C[NH2+]CCO1 ZINC000675059703 538484944 /nfs/dbraw/zinc/48/49/44/538484944.db2.gz UVCJAJVMGOOJCR-NSHDSACASA-N 1 0 214.309 0.527 10 0 BCAERO CC[C@]1(C[NH3+])CN(C(=O)C2CCC2)CCO1 ZINC000675059733 538484970 /nfs/dbraw/zinc/48/49/70/538484970.db2.gz VVSJSJTWTDLDCO-LBPRGKRZSA-N 1 0 226.320 0.753 10 0 BCAERO CCCC(=O)NC[C@]1(C)C[NH2+]CCO1 ZINC000675059909 538485197 /nfs/dbraw/zinc/48/51/97/538485197.db2.gz XVAAMDSIUDKCKG-JTQLQIEISA-N 1 0 200.282 0.281 10 0 BCAERO C[NH+](C)CC(=O)N1CC[C@@]2(CO)CCC[C@H]12 ZINC000675060173 538485707 /nfs/dbraw/zinc/48/57/07/538485707.db2.gz BUWFRKDRTREOQT-CMPLNLGQSA-N 1 0 226.320 0.312 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]([C@H]2CCS(=O)(=O)C2)C1 ZINC000675060299 538485845 /nfs/dbraw/zinc/48/58/45/538485845.db2.gz VRYGOMOCLMOLKO-LPEHRKFASA-N 1 0 217.334 0.667 10 0 BCAERO C=CC(=O)Nc1ccc([C@H](O)[C@@H]([NH3+])CO)cc1 ZINC000675060275 538485856 /nfs/dbraw/zinc/48/58/56/538485856.db2.gz DKZHZOSGQIKKDW-JQWIXIFHSA-N 1 0 236.271 0.164 10 0 BCAERO C[NH+](C)CC(=O)N1CC[C@]2(CO)CCC[C@@H]12 ZINC000675060178 538486024 /nfs/dbraw/zinc/48/60/24/538486024.db2.gz BUWFRKDRTREOQT-PWSUYJOCSA-N 1 0 226.320 0.312 10 0 BCAERO O=C([O-])[C@H]1C[NH2+]C[C@@H](C2CC[NH2+]CC2)C1 ZINC000675060209 538486040 /nfs/dbraw/zinc/48/60/40/538486040.db2.gz UJVICASXCJCHGM-VHSXEESVSA-N 1 0 212.293 0.296 10 0 BCAERO CCN1CC[C@@H]([NH2+]C[C@H](O)COCC(C)C)C1 ZINC000389429942 356670209 /nfs/dbraw/zinc/67/02/09/356670209.db2.gz XVHSXFUQZBSLCS-OLZOCXBDSA-N 1 0 244.379 0.704 10 0 BCAERO CCN1CC[C@H]([NH2+]C[C@H](O)COCC(C)C)C1 ZINC000389429947 356670304 /nfs/dbraw/zinc/67/03/04/356670304.db2.gz XVHSXFUQZBSLCS-STQMWFEESA-N 1 0 244.379 0.704 10 0 BCAERO COCCC(=O)NC[C@@H]1C[C@@H]2C[C@H]([NH3+])[C@H]2C1 ZINC000675070671 538500980 /nfs/dbraw/zinc/50/09/80/538500980.db2.gz RFEYMOYGDAFIDW-ZNSHCXBVSA-N 1 0 226.320 0.513 10 0 BCAERO CC(C)[C@H](C)C(=O)NCCC1(O)C[NH2+]C1 ZINC000675070549 538501553 /nfs/dbraw/zinc/50/15/53/538501553.db2.gz PIZTUAGGZJULQB-VIFPVBQESA-N 1 0 214.309 0.119 10 0 BCAERO CC(=O)c1cn(C2CC[NH+](C)CC2)nn1 ZINC000675072624 538503319 /nfs/dbraw/zinc/50/33/19/538503319.db2.gz AYLODTJJRKDLEN-UHFFFAOYSA-N 1 0 208.265 0.747 10 0 BCAERO COCCNC(=O)N1CCC[C@@H]2C[C@@]21C[NH3+] ZINC000675073522 538506102 /nfs/dbraw/zinc/50/61/02/538506102.db2.gz KSGQFMNGEBMXPB-MWLCHTKSSA-N 1 0 227.308 0.156 10 0 BCAERO CCS(=O)(=O)NC[C@@H]1C[C@@H]2C[C@H]([NH3+])[C@H]2C1 ZINC000675073692 538506275 /nfs/dbraw/zinc/50/62/75/538506275.db2.gz SWJKJUGIWMIJGY-IMSYWVGJSA-N 1 0 232.349 0.299 10 0 BCAERO Cc1csc(CC2=C[C@@H](N)C[NH2+]C2)n1 ZINC000675076386 538511596 /nfs/dbraw/zinc/51/15/96/538511596.db2.gz CGMCIELSRWYHST-SECBINFHSA-N 1 0 209.318 0.851 10 0 BCAERO COC(=O)[C@](O)(C[NH2+]C(C)C)C(F)(F)F ZINC000675074097 538506961 /nfs/dbraw/zinc/50/69/61/538506961.db2.gz XUWKJLQLLOHCCA-SSDOTTSWSA-N 1 0 229.198 0.451 10 0 BCAERO CCn1ncc(C[NH2+]C(C)C)c1S(N)(=O)=O ZINC000675075200 538508197 /nfs/dbraw/zinc/50/81/97/538508197.db2.gz MOVKHSRFOZZRMK-UHFFFAOYSA-N 1 0 246.336 0.048 10 0 BCAERO Cc1cc(CC2=C[C@@H](O)C[NH2+]C2)n(C)n1 ZINC000675076814 538511628 /nfs/dbraw/zinc/51/16/28/538511628.db2.gz GJLGEAHULXMYTJ-LLVKDONJSA-N 1 0 207.277 0.162 10 0 BCAERO c1nc(-c2nc3c(s2)C[NH2+]CC3)n[nH]1 ZINC000053335558 356667578 /nfs/dbraw/zinc/66/75/78/356667578.db2.gz JQKJKRCZZGLJBR-UHFFFAOYSA-N 1 0 207.262 0.574 10 0 BCAERO Cc1cc(-c2cnn3c2C[NH2+]CC3)cc(N)n1 ZINC000675076245 538510737 /nfs/dbraw/zinc/51/07/37/538510737.db2.gz MBABWWKRJYSOFJ-UHFFFAOYSA-N 1 0 229.287 0.939 10 0 BCAERO Cn1ccnc1CCC1=C[C@H](N)C[NH2+]C1 ZINC000675077916 538513700 /nfs/dbraw/zinc/51/37/00/538513700.db2.gz JXTWLJCFWORRGU-JTQLQIEISA-N 1 0 206.293 0.210 10 0 BCAERO Nc1cc(CC2=C[C@@H](N)C[NH2+]C2)ccn1 ZINC000675077615 538513743 /nfs/dbraw/zinc/51/37/43/538513743.db2.gz OXVQHDFLCCLYFL-SNVBAGLBSA-N 1 0 204.277 0.063 10 0 BCAERO Cc1nnc(CC2=C[C@H]([NH3+])CNC2)s1 ZINC000675078115 538514995 /nfs/dbraw/zinc/51/49/95/538514995.db2.gz MQBSTJSDTHKAJX-QMMMGPOBSA-N 1 0 210.306 0.246 10 0 BCAERO COc1nc(C2=C[C@H](O)C[NH2+]C2)cs1 ZINC000675078373 538515559 /nfs/dbraw/zinc/51/55/59/538515559.db2.gz XSJLZWWOQHTJLD-ZETCQYMHSA-N 1 0 212.274 0.499 10 0 BCAERO Cc1nn(C)cc1CC1=C[C@@H](N)C[NH2+]C1 ZINC000675079293 538517189 /nfs/dbraw/zinc/51/71/89/538517189.db2.gz XLYZXGAYBDCOFJ-LLVKDONJSA-N 1 0 206.293 0.128 10 0 BCAERO C[N@H+](C1CC1)[C@H]1C[C@@H]([NH3+])C12CCOCC2 ZINC000675078942 538517451 /nfs/dbraw/zinc/51/74/51/538517451.db2.gz CJGLBNSZJQKDCB-MNOVXSKESA-N 1 0 210.321 0.977 10 0 BCAERO CC[N@@H+]1CC[C@H](NC(=O)[C@H](C)OC)C1 ZINC000389512620 356695656 /nfs/dbraw/zinc/69/56/56/356695656.db2.gz FGJRMMHSGSQTAR-IUCAKERBSA-N 1 0 200.282 0.232 10 0 BCAERO COC[C@H]([NH3+])c1cnnn1Cc1ccccc1 ZINC000675080861 538520767 /nfs/dbraw/zinc/52/07/67/538520767.db2.gz WUMFPWBXKAXWIF-NSHDSACASA-N 1 0 232.287 0.973 10 0 BCAERO Cn1c(Cl)ncc1C1=C[C@H](O)C[NH2+]C1 ZINC000675077040 538512079 /nfs/dbraw/zinc/51/20/79/538512079.db2.gz ISJIYQZVOCHITP-ZETCQYMHSA-N 1 0 213.668 0.421 10 0 BCAERO Nc1ncc(Cl)cc1C1=C[C@H](O)C[NH2+]C1 ZINC000675077286 538512643 /nfs/dbraw/zinc/51/26/43/538512643.db2.gz KUJYTEONTXIZIL-QMMMGPOBSA-N 1 0 225.679 0.665 10 0 BCAERO CC(C)(C)C(=O)N1CC(N2CC[NH2+]CC2)C1 ZINC000085279927 538537232 /nfs/dbraw/zinc/53/72/32/538537232.db2.gz IOSHCYOWYIXYAO-UHFFFAOYSA-N 1 0 225.336 0.149 10 0 BCAERO OCC(CO)[NH2+]C[C@H]1Cc2ccccc21 ZINC000085574326 356698573 /nfs/dbraw/zinc/69/85/73/356698573.db2.gz PYJKJMBSVBSQGG-SNVBAGLBSA-N 1 0 207.273 0.269 10 0 BCAERO CN(c1ccc(F)c(C[NH3+])c1)S(C)(=O)=O ZINC000220303332 538539602 /nfs/dbraw/zinc/53/96/02/538539602.db2.gz VERFOPQLCIUYTR-UHFFFAOYSA-N 1 0 232.280 0.680 10 0 BCAERO O=S1(=O)CC[C@@H](NC2=[NH+]CCCS2)C1 ZINC000034971981 356703535 /nfs/dbraw/zinc/70/35/35/356703535.db2.gz XLEWAVPVTKFFTM-SSDOTTSWSA-N 1 0 234.346 0.256 10 0 BCAERO NC(=O)[C@@]1([NH3+])CCC[C@@H](n2cccn2)C1 ZINC000086604673 538557508 /nfs/dbraw/zinc/55/75/08/538557508.db2.gz OISWQFKNGCHJAK-PSASIEDQSA-N 1 0 208.265 0.181 10 0 BCAERO Cn1cnc2c1[C@]1(CCCOC1)[NH2+]CC2 ZINC000084259016 538528465 /nfs/dbraw/zinc/52/84/65/538528465.db2.gz YWPXDKDAWDQGGC-LLVKDONJSA-N 1 0 207.277 0.572 10 0 BCAERO CCS(=O)(=O)NC[C@@H]1CC[NH2+]C[C@H]1C ZINC000129824678 538576230 /nfs/dbraw/zinc/57/62/30/538576230.db2.gz WWWIMULCASATRT-BDAKNGLRSA-N 1 0 220.338 0.171 10 0 BCAERO CCCNC(=O)NC[C@H]1CC[NH2+]C[C@H]1C ZINC000129819677 538576350 /nfs/dbraw/zinc/57/63/50/538576350.db2.gz AKSRBEOUNWVEAT-NXEZZACHSA-N 1 0 213.325 0.941 10 0 BCAERO CC(C)S(=O)(=O)NC[C@@H]1CC[NH2+]C[C@H]1C ZINC000129829133 538578773 /nfs/dbraw/zinc/57/87/73/538578773.db2.gz CRTYRPNDXYOBHT-ZJUUUORDSA-N 1 0 234.365 0.560 10 0 BCAERO COC(=O)C(=O)[C@H](C)[C@H]1CCC[C@@H](C)[NH2+]1 ZINC000130374535 538589513 /nfs/dbraw/zinc/58/95/13/538589513.db2.gz NEUIFICODUBNTQ-IWSPIJDZSA-N 1 0 213.277 0.895 10 0 BCAERO Cc1noc(C)c1C[NH2+][C@H](C(N)=O)C(C)C ZINC000223799625 538594087 /nfs/dbraw/zinc/59/40/87/538594087.db2.gz UNRYJWYXMGZMGH-JTQLQIEISA-N 1 0 225.292 0.891 10 0 BCAERO CC(C)[C@H]([NH2+]Cc1cccc(O)c1)C(N)=O ZINC000223960371 538594931 /nfs/dbraw/zinc/59/49/31/538594931.db2.gz IEZNWSYKBNJKTI-NSHDSACASA-N 1 0 222.288 0.992 10 0 BCAERO CC(C)[C@@H]([NH2+]Cc1cncs1)C(N)=O ZINC000225276247 538599366 /nfs/dbraw/zinc/59/93/66/538599366.db2.gz PHOUJZVPIIJQPV-MRVPVSSYSA-N 1 0 213.306 0.743 10 0 BCAERO CC(=O)N1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000096869505 538615959 /nfs/dbraw/zinc/61/59/59/538615959.db2.gz ADWMZALFYJTDMF-RQJHMYQMSA-N 1 0 210.199 0.744 10 0 BCAERO COc1cc([C@H](O)[C@H](C)C[NH3+])sn1 ZINC000319200676 538616855 /nfs/dbraw/zinc/61/68/55/538616855.db2.gz DQFBTSBUFVXZAI-SVGQVSJJSA-N 1 0 202.279 0.780 10 0 BCAERO CC(=O)N1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000096869503 538616871 /nfs/dbraw/zinc/61/68/71/538616871.db2.gz ADWMZALFYJTDMF-RNFRBKRXSA-N 1 0 210.199 0.744 10 0 BCAERO CCOC(=O)C[C@H](O)C[N@@H+]1CCC[C@H](O)[C@@H]1C ZINC000384874445 356788734 /nfs/dbraw/zinc/78/87/34/356788734.db2.gz PJTKHMRHIVCDBR-DCAQKATOSA-N 1 0 245.319 0.146 10 0 BCAERO [NH3+][C@@H]1CC[C@H](CNS(=O)(=O)C2CCCC2)C1 ZINC000227630985 538699710 /nfs/dbraw/zinc/69/97/10/538699710.db2.gz XHWHDNVRCWXCHK-VHSXEESVSA-N 1 0 246.376 0.976 10 0 BCAERO COC[C@H](C)C(=O)N1[C@@H](C)C[NH+](C)C[C@@H]1C ZINC000155600695 538722906 /nfs/dbraw/zinc/72/29/06/538722906.db2.gz KYJVFFLLAORFNE-DCAQKATOSA-N 1 0 228.336 0.820 10 0 BCAERO C[C@@]1(C(=O)NC2C[NH2+]C2)CC1(Cl)Cl ZINC000237486234 356865892 /nfs/dbraw/zinc/86/58/92/356865892.db2.gz RHKQOLQOPRMODR-ZETCQYMHSA-N 1 0 223.103 0.658 10 0 BCAERO CCCCOC[C@@H](O)C[N@H+](CC)CCO ZINC000193247808 356897348 /nfs/dbraw/zinc/89/73/48/356897348.db2.gz HDPMLUHZRAQQFE-NSHDSACASA-N 1 0 219.325 0.478 10 0 BCAERO CN1CC[N@H+](C[C@@H]2CCC[C@H](O)C2)[C@@H](CO)C1 ZINC000639865869 356975055 /nfs/dbraw/zinc/97/50/55/356975055.db2.gz ATVDQRCJEAEAMB-UPJWGTAASA-N 1 0 242.363 0.146 10 0 BCAERO CC(C)[NH+]1CCC([C@H](C[NH3+])C(=O)[O-])CC1 ZINC000258006788 538775111 /nfs/dbraw/zinc/77/51/11/538775111.db2.gz FEEWKOKOCCJQJV-JTQLQIEISA-N 1 0 214.309 0.766 10 0 BCAERO N#Cc1cccc(NC[C@H]2C[NH2+]CCCO2)n1 ZINC000389807671 357040249 /nfs/dbraw/zinc/04/02/49/357040249.db2.gz LTSMXHBADIIHHS-LLVKDONJSA-N 1 0 232.287 0.744 10 0 BCAERO C[C@@H]([NH3+])[C@@H]1CCN(S(=O)(=O)C(F)F)C1 ZINC000160593959 357105769 /nfs/dbraw/zinc/10/57/69/357105769.db2.gz KXLMGUVGMJKCKY-PHDIDXHHSA-N 1 0 228.264 0.208 10 0 BCAERO CCC[C@H](C)C(=O)NC[C@]1(O)CC[NH2+]C1 ZINC000157085391 538808740 /nfs/dbraw/zinc/80/87/40/538808740.db2.gz XVQXTJKYGGKUTF-ONGXEEELSA-N 1 0 214.309 0.263 10 0 BCAERO CCC[C@@H](C)C(=O)NC[C@@]1(O)CC[NH2+]C1 ZINC000157085530 538808489 /nfs/dbraw/zinc/80/84/89/538808489.db2.gz XVQXTJKYGGKUTF-MWLCHTKSSA-N 1 0 214.309 0.263 10 0 BCAERO NC(=O)[C@H]([NH3+])Cc1cncc(Br)c1 ZINC000160606005 357123823 /nfs/dbraw/zinc/12/38/23/357123823.db2.gz QUNWJPZVRZVOCQ-SSDOTTSWSA-N 1 0 244.092 0.199 10 0 BCAERO CCCCS(=O)(=O)N1CCC[C@]1(C)C[NH3+] ZINC000259336940 538813698 /nfs/dbraw/zinc/81/36/98/538813698.db2.gz YBNYNKBHMUXFGI-SNVBAGLBSA-N 1 0 234.365 0.930 10 0 BCAERO COc1ccc(CN2C[C@H](C)[C@H]([NH3+])C2)cn1 ZINC000300047005 357176335 /nfs/dbraw/zinc/17/63/35/357176335.db2.gz BVZWDILJIQANAF-GXSJLCMTSA-N 1 0 221.304 0.869 10 0 BCAERO CCCCS(=O)(=O)NC[C@]1(C)CCC[NH2+]1 ZINC000157168332 538811209 /nfs/dbraw/zinc/81/12/09/538811209.db2.gz SKOGNYMKCXPIRL-JTQLQIEISA-N 1 0 234.365 0.848 10 0 BCAERO C[NH2+][C@H](C)C(=O)NCC(C)(C)C[C@H](C)O ZINC000393681367 357292480 /nfs/dbraw/zinc/29/24/80/357292480.db2.gz PQDZSNQJXJWVMA-DTWKUNHWSA-N 1 0 216.325 0.508 10 0 BCAERO CC(C)(C)[C@H](O)C[NH2+]CC1(S(C)(=O)=O)CC1 ZINC000393701793 357293249 /nfs/dbraw/zinc/29/32/49/357293249.db2.gz GYJXNXQKTLTNQU-SECBINFHSA-N 1 0 249.376 0.560 10 0 BCAERO C[C@@H](NC(=O)C(C)(C)[NH3+])[C@H]1CCOC1 ZINC000160715417 357305951 /nfs/dbraw/zinc/30/59/51/357305951.db2.gz RYRSEDVBUZAHGI-SFYZADRCSA-N 1 0 200.282 0.265 10 0 BCAERO CO[C@@H]1C[NH2+][C@@H](C(=O)C2CCOCC2)C1 ZINC000168700908 357258625 /nfs/dbraw/zinc/25/86/25/357258625.db2.gz ONHFEWHWVUYQFA-VHSXEESVSA-N 1 0 213.277 0.359 10 0 BCAERO CCN1CC[C@H]([NH2+]C[C@@H](C)COC)C1 ZINC000393239600 357279883 /nfs/dbraw/zinc/27/98/83/357279883.db2.gz NEQQQFXGFJDVEB-MNOVXSKESA-N 1 0 200.326 0.953 10 0 BCAERO CC[C@@H]1CC[C@@H](C)N(C(=O)[C@H]([NH3+])COC)C1 ZINC000304318061 491110004 /nfs/dbraw/zinc/11/00/04/491110004.db2.gz FGHOSSJPYPBVAO-GMTAPVOTSA-N 1 0 228.336 0.997 10 0 BCAERO CCOC(=O)c1cnn2c1C[C@H]([NH3+])CC2 ZINC000259832563 538830394 /nfs/dbraw/zinc/83/03/94/538830394.db2.gz OMVLURLQPVQSMG-SSDOTTSWSA-N 1 0 209.249 0.333 10 0 BCAERO C[C@H]([NH3+])[C@H](C)Nc1ccc2nccnc2n1 ZINC000394498930 357362200 /nfs/dbraw/zinc/36/22/00/357362200.db2.gz KURHRPYDXVPYRU-YUMQZZPRSA-N 1 0 217.276 0.546 10 0 BCAERO CS(=O)(=O)C/C=C1/CCC[NH2+]CC1 ZINC000160724272 357512568 /nfs/dbraw/zinc/51/25/68/357512568.db2.gz MBLJOJHRWKTBLF-UITAMQMPSA-N 1 0 203.307 0.731 10 0 BCAERO O=C1NCC[C@@H]1CC[N@H+]1CC[C@@H](CCO)C1 ZINC000395808500 357457376 /nfs/dbraw/zinc/45/73/76/357457376.db2.gz DGGXBBLWBJKCIK-WDEREUQCSA-N 1 0 226.320 0.217 10 0 BCAERO Cc1c(C[NH2+]CCc2ccn(C)n2)cnn1C ZINC000230880675 357575712 /nfs/dbraw/zinc/57/57/12/357575712.db2.gz ZYFSXJRIFMILJU-UHFFFAOYSA-N 1 0 233.319 0.794 10 0 BCAERO C[C@@H]1OCCC[C@@H]1C(=O)N(C)CC[NH+](C)C ZINC000188704040 357565132 /nfs/dbraw/zinc/56/51/32/357565132.db2.gz SKMZZBPHVCQBIF-QWRGUYRKSA-N 1 0 228.336 0.822 10 0 BCAERO CC(C)([NH3+])CC(=O)N[C@@H]1CCC[C@H](O)C1 ZINC000082771935 491112495 /nfs/dbraw/zinc/11/24/95/491112495.db2.gz HKWOCWMMQFCSCC-BDAKNGLRSA-N 1 0 214.309 0.534 10 0 BCAERO CCCC(=O)NCCN1CCC([NH3+])CC1 ZINC000321357260 538868793 /nfs/dbraw/zinc/86/87/93/538868793.db2.gz NAZVPJZUEHBWSV-UHFFFAOYSA-N 1 0 213.325 0.326 10 0 BCAERO CC[C@](C)(O)C[N@@H+]1CCO[C@H](COC)C1 ZINC000189045313 357601580 /nfs/dbraw/zinc/60/15/80/357601580.db2.gz HWQPAQZZIMDACA-QWRGUYRKSA-N 1 0 217.309 0.495 10 0 BCAERO COCCC(=O)NC[C@]12CC[C@H]1CC[NH2+]2 ZINC000685946627 538885893 /nfs/dbraw/zinc/88/58/93/538885893.db2.gz LWXMLQCFNYXTDW-GXSJLCMTSA-N 1 0 212.293 0.281 10 0 BCAERO CC(C)(C)OC(=O)[C@@H]1CO[C@H](C[NH3+])C1 ZINC000685939357 538886453 /nfs/dbraw/zinc/88/64/53/538886453.db2.gz KBWGAMLEHOOCEJ-YUMQZZPRSA-N 1 0 201.266 0.692 10 0 BCAERO CS(=O)(=O)N1CCC2(CCC[C@@H]2[NH3+])CC1 ZINC000685946720 538886810 /nfs/dbraw/zinc/88/68/10/538886810.db2.gz FBKDKQWFDJUZJT-VIFPVBQESA-N 1 0 232.349 0.539 10 0 BCAERO CC(C)(C)C(=O)N1CC[C@H]([NH3+])[C@H](F)C1 ZINC000685946380 538888246 /nfs/dbraw/zinc/88/82/46/538888246.db2.gz RPDLYCYGJRLKKH-SFYZADRCSA-N 1 0 202.273 0.930 10 0 BCAERO CCS(=O)(=O)N[C@H]1CCCC12CC[NH2+]CC2 ZINC000685946459 538888359 /nfs/dbraw/zinc/88/83/59/538888359.db2.gz AGYKHGSAZDGBTA-JTQLQIEISA-N 1 0 246.376 0.848 10 0 BCAERO CC1(C(=O)N[C@H]2CC[NH2+]C[C@@H]2F)CC1 ZINC000685946347 538888369 /nfs/dbraw/zinc/88/83/69/538888369.db2.gz PWWJJLPGCAPZIN-YUMQZZPRSA-N 1 0 200.257 0.603 10 0 BCAERO CCS(=O)(=O)N1CCC2(CCC[C@H]2[NH3+])CC1 ZINC000685947241 538888592 /nfs/dbraw/zinc/88/85/92/538888592.db2.gz KGEBYJXJPWOXOD-SNVBAGLBSA-N 1 0 246.376 0.930 10 0 BCAERO O=C(N[C@@H]1CC[NH2+]C[C@@H]1F)C1CCC1 ZINC000685947073 538888705 /nfs/dbraw/zinc/88/87/05/538888705.db2.gz ZXYWWIGCJKDWQF-DTWKUNHWSA-N 1 0 200.257 0.603 10 0 BCAERO CC(C)CC(=O)N[C@@H]1CC[NH2+]C[C@@H]1F ZINC000685946961 538888774 /nfs/dbraw/zinc/88/87/74/538888774.db2.gz XUZLLRZLXNJOSD-DTWKUNHWSA-N 1 0 202.273 0.849 10 0 BCAERO CC[C@@]1([NH3+])CCCN(S(C)(=O)=O)C1 ZINC000685947040 538888886 /nfs/dbraw/zinc/88/88/86/538888886.db2.gz IBCYLXQAAHGOGN-MRVPVSSYSA-N 1 0 206.311 0.149 10 0 BCAERO CCCS(=O)(=O)NC[C@]12CC[C@H]1CC[NH2+]2 ZINC000685947114 538888932 /nfs/dbraw/zinc/88/89/32/538888932.db2.gz RJXOPVGIQNPGMF-VHSXEESVSA-N 1 0 232.349 0.458 10 0 BCAERO CC[C@@]1(NC(=O)COC)CCC[NH2+]C1 ZINC000685947078 538888974 /nfs/dbraw/zinc/88/89/74/538888974.db2.gz ILDHHNGQRIUWMS-SNVBAGLBSA-N 1 0 200.282 0.281 10 0 BCAERO CC(C)NC(=O)NC[C@]12CC[C@H]1CC[NH2+]2 ZINC000685947417 538889075 /nfs/dbraw/zinc/88/90/75/538889075.db2.gz VJXXQKHPQIBITC-GXSJLCMTSA-N 1 0 211.309 0.836 10 0 BCAERO CC(C)NC(=O)NC[C@]12CC[C@@H]1CC[NH2+]2 ZINC000685947421 538889162 /nfs/dbraw/zinc/88/91/62/538889162.db2.gz VJXXQKHPQIBITC-MWLCHTKSSA-N 1 0 211.309 0.836 10 0 BCAERO CC(C)NC(=O)c1cnn2c1C[C@@H]([NH3+])CC2 ZINC000685947325 538889233 /nfs/dbraw/zinc/88/92/33/538889233.db2.gz UOFORFTTXGPLKE-QMMMGPOBSA-N 1 0 222.292 0.295 10 0 BCAERO CC[C@@]1(NS(C)(=O)=O)CCC[NH2+]C1 ZINC000685948049 538889558 /nfs/dbraw/zinc/88/95/58/538889558.db2.gz VKFRHTHZCJXSEW-MRVPVSSYSA-N 1 0 206.311 0.068 10 0 BCAERO CCC(C)(C)[NH2+]CC[C@H](N)C(=O)OC ZINC000685948001 538889744 /nfs/dbraw/zinc/88/97/44/538889744.db2.gz WPIVBVMYMBJRSF-QMMMGPOBSA-N 1 0 202.298 0.655 10 0 BCAERO COCC(=O)N1CC[C@]2([NH3+])CCCC[C@H]12 ZINC000685948596 538891195 /nfs/dbraw/zinc/89/11/95/538891195.db2.gz CHRCVZGLFRIPMQ-GXSJLCMTSA-N 1 0 212.293 0.505 10 0 BCAERO C[NH2+]C[C@H]1Cn2c(nnc2C(C)C)CN1 ZINC000685948792 538891821 /nfs/dbraw/zinc/89/18/21/538891821.db2.gz CGIRFTDKCABELS-QMMMGPOBSA-N 1 0 209.297 0.093 10 0 BCAERO O=S(=O)(N[C@]12CC[NH2+][C@H]1CCCC2)C1CC1 ZINC000685949526 538892401 /nfs/dbraw/zinc/89/24/01/538892401.db2.gz STYRRBNDBSBJOT-WDEREUQCSA-N 1 0 244.360 0.743 10 0 BCAERO FC(F)CN1C(=S)N=NC1C1C[NH2+]C1 ZINC000685949465 538892558 /nfs/dbraw/zinc/89/25/58/538892558.db2.gz AJFNGPLWTAJNEG-UHFFFAOYSA-N 1 0 220.248 0.519 10 0 BCAERO C[NH2+]CC1(O)CCC2(CC1)OCCO2 ZINC000685949355 538892697 /nfs/dbraw/zinc/89/26/97/538892697.db2.gz OXJDYUGKTJLFQP-UHFFFAOYSA-N 1 0 201.266 0.254 10 0 BCAERO COCCC(=O)N[C@@]12CC[NH2+][C@@H]1CCCC2 ZINC000685949530 538892890 /nfs/dbraw/zinc/89/28/90/538892890.db2.gz SUCBQTOCNKUNIT-PWSUYJOCSA-N 1 0 226.320 0.814 10 0 BCAERO C[C@@H]1C[NH2+]C[C@@H](C)C1[N@@H+]1CCC[C@H]1C(=O)[O-] ZINC000685951156 538894556 /nfs/dbraw/zinc/89/45/56/538894556.db2.gz OETRIEWELGBHMW-BBBLOLIVSA-N 1 0 226.320 0.779 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H](C)[C@H]1N1CCO[C@@H](C)C1 ZINC000685951182 538894608 /nfs/dbraw/zinc/89/46/08/538894608.db2.gz OXWBRGWVLZQSIS-WHOHXGKFSA-N 1 0 212.337 0.951 10 0 BCAERO C[C@@H]1C(=O)NCCCN1CC(=O)NC(C)(C)C ZINC000189342463 357634103 /nfs/dbraw/zinc/63/41/03/357634103.db2.gz GJIFMMMJNQEYLE-SECBINFHSA-N 1 0 241.335 0.112 10 0 BCAERO FC(F)(F)c1ccc(NC2C[NH2+]C2)nn1 ZINC000132513304 325222117 /nfs/dbraw/zinc/22/21/17/325222117.db2.gz VYVOGQADGZHEIE-UHFFFAOYSA-N 1 0 218.182 0.879 10 0 BCAERO CC[C@@H](C)CC(=O)NC[C@@H]1CN(C)CCO1 ZINC000190746957 357730195 /nfs/dbraw/zinc/73/01/95/357730195.db2.gz IHJIAYLIZMNJDS-GHMZBOCLSA-N 1 0 228.336 0.869 10 0 BCAERO CCc1nn(C)cc1C(=O)N1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000234160247 357775930 /nfs/dbraw/zinc/77/59/30/357775930.db2.gz MOUBWFRJHBQLED-SCZZXKLOSA-N 1 0 236.319 0.402 10 0 BCAERO COCCOC[C@H](O)C[N@@H+]1CCS[C@@H](C)C1 ZINC000234879290 357839087 /nfs/dbraw/zinc/83/90/87/357839087.db2.gz AQXTYVSPZPBRJW-WDEREUQCSA-N 1 0 249.376 0.448 10 0 BCAERO Cc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)cn1 ZINC000235342962 357865920 /nfs/dbraw/zinc/86/59/20/357865920.db2.gz FVCFVGZGFQTJNR-LDYMZIIASA-N 1 0 219.288 0.809 10 0 BCAERO C[C@@H]1CN(C(=O)CCc2ccccn2)C[C@@H]1[NH3+] ZINC000235327584 357866289 /nfs/dbraw/zinc/86/62/89/357866289.db2.gz QRFWHWOLHQKDBE-PWSUYJOCSA-N 1 0 233.315 0.820 10 0 BCAERO CC[N@@H+]1CCC[C@H]1CN(C)C[C@H](O)COC ZINC000086189599 357872020 /nfs/dbraw/zinc/87/20/20/357872020.db2.gz BSBIGSBKXXHUDQ-RYUDHWBXSA-N 1 0 230.352 0.410 10 0 BCAERO C[NH2+][C@H](C)C(=O)NC[C@@H](C)C[C@H](C)O ZINC000398651050 357888945 /nfs/dbraw/zinc/88/89/45/357888945.db2.gz YLGGFOFYXIPQPR-XHNCKOQMSA-N 1 0 202.298 0.118 10 0 BCAERO C[C@H]1CN(C(=O)Cc2ccncc2)C[C@@H]1[NH3+] ZINC000235627576 357925221 /nfs/dbraw/zinc/92/52/21/357925221.db2.gz IFUZWBXGMRVQAV-ONGXEEELSA-N 1 0 219.288 0.430 10 0 BCAERO Cc1ccc(C(=O)N2C[C@H]([NH3+])[C@@H](C)C2)cn1 ZINC000235634384 357926574 /nfs/dbraw/zinc/92/65/74/357926574.db2.gz FVCFVGZGFQTJNR-KWQFWETISA-N 1 0 219.288 0.809 10 0 BCAERO C[C@H]1CN(C(=O)c2ccccc2O)C[C@@H]1[NH3+] ZINC000235667448 357927442 /nfs/dbraw/zinc/92/74/42/357927442.db2.gz YDOOKTJZECVXDB-WPRPVWTQSA-N 1 0 220.272 0.811 10 0 BCAERO CCc1nnc(CN2CC[C@@H]3[NH2+]CC[C@H]3C2)n1C ZINC000583753551 357934729 /nfs/dbraw/zinc/93/47/29/357934729.db2.gz RSLABSZYGUTQGA-QWRGUYRKSA-N 1 0 249.362 0.561 10 0 BCAERO C[C@H]1CN(C(=O)c2ccc(N(C)C)nc2)C[C@@H]1[NH3+] ZINC000583756197 357936141 /nfs/dbraw/zinc/93/61/41/357936141.db2.gz SPIMWBUZWHJUAT-ONGXEEELSA-N 1 0 248.330 0.567 10 0 BCAERO C[C@H]1CN(C(=O)c2ccc(N(C)C)nc2)C[C@H]1[NH3+] ZINC000583756194 357936191 /nfs/dbraw/zinc/93/61/91/357936191.db2.gz SPIMWBUZWHJUAT-GXSJLCMTSA-N 1 0 248.330 0.567 10 0 BCAERO C[C@@H]1C[C@H](O)CC[N@@H+]1CCCC(=O)N(C)C ZINC000639938783 357945535 /nfs/dbraw/zinc/94/55/35/357945535.db2.gz LWPIGYYPRHEDID-GHMZBOCLSA-N 1 0 228.336 0.700 10 0 BCAERO CCCNC(=O)C[N@@H+]1CC[C@@H](O)C[C@H]1C ZINC000639938769 357945578 /nfs/dbraw/zinc/94/55/78/357945578.db2.gz LPMKPUSCLSRBSB-NXEZZACHSA-N 1 0 214.309 0.358 10 0 BCAERO CCN(CC)C(=O)C[N@@H+]1CC[C@@H](O)C[C@H]1C ZINC000639941481 357952800 /nfs/dbraw/zinc/95/28/00/357952800.db2.gz YPPDSBZAYCIWKI-GHMZBOCLSA-N 1 0 228.336 0.700 10 0 BCAERO CC(C)NC(=O)CC[N@@H+]1CC[C@@H](O)C[C@H]1C ZINC000639941674 357952851 /nfs/dbraw/zinc/95/28/51/357952851.db2.gz OJCPSOSILKBGQP-GHMZBOCLSA-N 1 0 228.336 0.746 10 0 BCAERO COC[C@](C)(CO)[NH2+]C[C@@H]1CCC[C@H](O)C1 ZINC000639957345 357981204 /nfs/dbraw/zinc/98/12/04/357981204.db2.gz MCHBGISVTJXBBL-WOPDTQHZSA-N 1 0 231.336 0.525 10 0 BCAERO CC(C)(O)C[NH2+][C@H]1CCN2CCCC[C@@H]12 ZINC000219250310 357988718 /nfs/dbraw/zinc/98/87/18/357988718.db2.gz PGNQZHXZLABXEW-QWRGUYRKSA-N 1 0 212.337 0.974 10 0 BCAERO CC(C)(O)C[NH2+][C@@H]1CCN2CCCC[C@@H]12 ZINC000219250259 357988938 /nfs/dbraw/zinc/98/89/38/357988938.db2.gz PGNQZHXZLABXEW-MNOVXSKESA-N 1 0 212.337 0.974 10 0 BCAERO C[C@@H](O)CCN(C)C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000219757976 358008041 /nfs/dbraw/zinc/00/80/41/358008041.db2.gz MWSFXFBPWMHSRK-MNOVXSKESA-N 1 0 228.336 0.605 10 0 BCAERO CCN(C)C(=O)CNC(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000219880533 358015078 /nfs/dbraw/zinc/01/50/78/358015078.db2.gz IVLQZINQPUEJPY-ZJUUUORDSA-N 1 0 241.335 0.098 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1CCCCO1 ZINC000217437098 134246981 /nfs/dbraw/zinc/24/69/81/134246981.db2.gz QMRGMCLSFBRNMI-DCAQKATOSA-N 1 0 226.320 0.799 10 0 BCAERO CCNC(=O)CN(CC)[C@@H]1CCC[NH2+]CC1 ZINC000168806457 134247169 /nfs/dbraw/zinc/24/71/69/134247169.db2.gz KDQSLAQMJJTMRW-LLVKDONJSA-N 1 0 227.352 0.587 10 0 BCAERO CO[C@H](C)C(=O)N1C[C@H](C)[C@H]([NH+](C)C)C1 ZINC000168739607 134247619 /nfs/dbraw/zinc/24/76/19/134247619.db2.gz BOBCPBKTMWQPQN-IVZWLZJFSA-N 1 0 214.309 0.430 10 0 BCAERO COC(=O)CCN1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000169078915 134249521 /nfs/dbraw/zinc/24/95/21/134249521.db2.gz NGUNXEGETNKQLS-ZJUUUORDSA-N 1 0 212.293 0.376 10 0 BCAERO C[NH2+]C1CCN(CCS(=O)(=O)C(C)C)CC1 ZINC000217934503 134251007 /nfs/dbraw/zinc/25/10/07/134251007.db2.gz QBKPSIVYHLXZLV-UHFFFAOYSA-N 1 0 248.392 0.493 10 0 BCAERO C[C@@H](O)C[NH2+]C[C@H](O)COCc1ccco1 ZINC000037853035 358096146 /nfs/dbraw/zinc/09/61/46/358096146.db2.gz SRZTXQJQGHEJNU-ZJUUUORDSA-N 1 0 229.276 0.128 10 0 BCAERO C[C@H](CO)[NH2+]C[C@H](O)COCc1ccco1 ZINC000037888482 358096965 /nfs/dbraw/zinc/09/69/65/358096965.db2.gz WYTMVDUXAMORJC-ZJUUUORDSA-N 1 0 229.276 0.128 10 0 BCAERO CC[C@H](C)NC(=O)NC[C@H]1CN(C)CCO1 ZINC000170924965 134255499 /nfs/dbraw/zinc/25/54/99/134255499.db2.gz NZIHXQVOKRMSQF-UWVGGRQHSA-N 1 0 229.324 0.415 10 0 BCAERO c1cc(CN2CC[C@@H]3OCC[NH2+][C@H]3C2)no1 ZINC000584843577 358200603 /nfs/dbraw/zinc/20/06/03/358200603.db2.gz MYESYNNBQHOUPQ-QWRGUYRKSA-N 1 0 223.276 0.237 10 0 BCAERO O=C(NCC[C@@H]1CCCCO1)[C@H]1CC[NH2+]C1 ZINC000224090383 358231459 /nfs/dbraw/zinc/23/14/59/358231459.db2.gz LEZUVRONEOHVBH-QWRGUYRKSA-N 1 0 226.320 0.671 10 0 BCAERO CCCCOCCNC(=O)[C@H]1C[C@@H](OC)C[NH2+]1 ZINC000040637263 358245130 /nfs/dbraw/zinc/24/51/30/358245130.db2.gz PEQYCCPLUGOPNU-GHMZBOCLSA-N 1 0 244.335 0.296 10 0 BCAERO CC(C)C[C@H](CO)[NH2+]C[C@@H](O)COC(C)C ZINC000040777092 358245654 /nfs/dbraw/zinc/24/56/54/358245654.db2.gz BLOJBAHBJMAXIT-VXGBXAGGSA-N 1 0 233.352 0.769 10 0 BCAERO COC[C@H](C[NH3+])Oc1cncc(F)c1 ZINC000225247334 358247731 /nfs/dbraw/zinc/24/77/31/358247731.db2.gz QMPSGSUGBKBTIL-VIFPVBQESA-N 1 0 200.213 0.573 10 0 BCAERO CC[C@@H](C(=O)NCC[C@@H](C)[NH3+])N1CCCC1=O ZINC000178645526 535414878 /nfs/dbraw/zinc/41/48/78/535414878.db2.gz SJCHZPHFZAKOLE-ZJUUUORDSA-N 1 0 241.335 0.241 10 0 BCAERO COc1ccc(/C=[N+]2\C[C@@H](C)C(=O)N2)cc1 ZINC000584609065 358269843 /nfs/dbraw/zinc/26/98/43/358269843.db2.gz JDLAAMFRIPQXTM-MBBDXHFBSA-O 1 0 219.264 0.808 10 0 BCAERO CCCCc1nc2c(cnn2C)c(C(N)=[NH2+])n1 ZINC000584619679 358286164 /nfs/dbraw/zinc/28/61/64/358286164.db2.gz KJNDXFYYNSBEJP-UHFFFAOYSA-N 1 0 232.291 0.990 10 0 BCAERO N[C@@H]1Oc2ccccc2C[C@H]1C(=[NH2+])NO ZINC000584625034 358293915 /nfs/dbraw/zinc/29/39/15/358293915.db2.gz WNYNCAXNFBMCTJ-OIBJUYFYSA-N 1 0 207.233 0.479 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH3+])O1 ZINC000226077822 358333545 /nfs/dbraw/zinc/33/35/45/358333545.db2.gz BIRCBYNMAYHQGJ-GWOFURMSSA-N 1 0 226.320 0.940 10 0 BCAERO [NH3+][C@H]1CN(Cc2ccccc2)S(=O)(=O)C1 ZINC000584636197 358320571 /nfs/dbraw/zinc/32/05/71/358320571.db2.gz SXQJQMFYKJTOHO-JTQLQIEISA-N 1 0 226.301 0.159 10 0 BCAERO CN(C(=O)CSC(C)(C)C)C1C[NH2+]C1 ZINC000085257697 134269629 /nfs/dbraw/zinc/26/96/29/134269629.db2.gz CCUIHNZWXCOJOV-UHFFFAOYSA-N 1 0 216.350 0.948 10 0 BCAERO CCCCOC[C@@H](O)C[NH2+]C[C@H]1CCCN1C ZINC000226046484 358333213 /nfs/dbraw/zinc/33/32/13/358333213.db2.gz SRZMWBVUJQWRGV-OLZOCXBDSA-N 1 0 244.379 0.848 10 0 BCAERO O[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1COCCO1 ZINC000226226732 358335601 /nfs/dbraw/zinc/33/56/01/358335601.db2.gz WSOLRNAWGJLEES-HBNTYKKESA-N 1 0 215.293 0.295 10 0 BCAERO CN1CCO[C@H](C[NH2+][C@@H]2CCCC[C@H]2O)C1 ZINC000226233489 358336685 /nfs/dbraw/zinc/33/66/85/358336685.db2.gz LUPDYHQPHGDZIJ-IJLUTSLNSA-N 1 0 228.336 0.210 10 0 BCAERO CO[C@@]1(C[NH2+][C@@H]2CCCC[C@H]2O)CCOC1 ZINC000226236704 358336785 /nfs/dbraw/zinc/33/67/85/358336785.db2.gz RCIVYYRLAVAMMU-IJLUTSLNSA-N 1 0 229.320 0.685 10 0 BCAERO Cc1c(CNC[C@H]2CCC[NH2+]C2)cnn1C ZINC000226302248 358337224 /nfs/dbraw/zinc/33/72/24/358337224.db2.gz OQDLYVAEIDQQRF-NSHDSACASA-N 1 0 222.336 0.818 10 0 BCAERO CN(c1ncc(Br)cn1)C1C[NH2+]C1 ZINC000085258350 134273698 /nfs/dbraw/zinc/27/36/98/134273698.db2.gz OVOASCZMRLUSOD-UHFFFAOYSA-N 1 0 243.108 0.647 10 0 BCAERO CN([C@@H]1CCC[NH2+]CC1)S(=O)(=O)C1CC1 ZINC000226463401 358339964 /nfs/dbraw/zinc/33/99/64/358339964.db2.gz BJRXDDKXMJRFGS-SECBINFHSA-N 1 0 232.349 0.553 10 0 BCAERO CCn1ncnc1CN(C)[C@@H]1CCC[NH2+]CC1 ZINC000226466562 358340161 /nfs/dbraw/zinc/34/01/61/358340161.db2.gz KMPQAJUAXYRYJK-LLVKDONJSA-N 1 0 237.351 0.872 10 0 BCAERO C[C@@H]1CN(C(=O)[C@H]2CC[NH2+]C2)C[C@@H](C)S1 ZINC000226680150 358342485 /nfs/dbraw/zinc/34/24/85/358342485.db2.gz ABDADARGXSJZLK-BBBLOLIVSA-N 1 0 228.361 0.948 10 0 BCAERO CN1CCN(c2ncnc3c2CCC3)[C@@H](C[NH3+])C1 ZINC000226622908 358342917 /nfs/dbraw/zinc/34/29/17/358342917.db2.gz RSYIHOLPADIETP-JTQLQIEISA-N 1 0 247.346 0.044 10 0 BCAERO CO[C@H]1C[NH2+][C@@H](C(=O)NC[C@@H](C)C(C)C)C1 ZINC000227070944 358348287 /nfs/dbraw/zinc/34/82/87/358348287.db2.gz MLCMSNXWICXAEI-GMTAPVOTSA-N 1 0 228.336 0.772 10 0 BCAERO Cc1cc(N[C@H](C)C[C@@H](C)[NH3+])n2ncnc2n1 ZINC000228270736 358372080 /nfs/dbraw/zinc/37/20/80/358372080.db2.gz GYBCCGOLNCXBPM-HTQZYQBOSA-N 1 0 234.307 0.970 10 0 BCAERO CNC(=O)c1ccc(N[C@@H](C)C[C@@H](C)[NH3+])nn1 ZINC000228271270 358372406 /nfs/dbraw/zinc/37/24/06/358372406.db2.gz CHRXOZZUPNQAFJ-SFYZADRCSA-N 1 0 237.307 0.374 10 0 BCAERO CS[C@@H](CO)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1O ZINC000228380898 358374658 /nfs/dbraw/zinc/37/46/58/358374658.db2.gz QFCLOQQYLGCCKH-ZDCRXTMVSA-N 1 0 233.377 0.992 10 0 BCAERO CC[N@@H+]1CCC[C@H](NC(=O)c2cnc(N)cn2)C1 ZINC000228576524 358379931 /nfs/dbraw/zinc/37/99/31/358379931.db2.gz QPPKGGVZQCAFSR-VIFPVBQESA-N 1 0 249.318 0.273 10 0 BCAERO C[C@H](O)C1CCN(C(=O)[C@]2(C)CCC[NH2+]2)CC1 ZINC000227425949 358356527 /nfs/dbraw/zinc/35/65/27/358356527.db2.gz GHHIXGHSRPMCEB-GWCFXTLKSA-N 1 0 240.347 0.748 10 0 BCAERO C[C@]1(C(=O)N[C@H]2CCSC2)CCC[NH2+]1 ZINC000227428909 358356862 /nfs/dbraw/zinc/35/68/62/358356862.db2.gz UWDONCRXABEEOT-WCBMZHEXSA-N 1 0 214.334 0.750 10 0 BCAERO COCCCOCC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000180335195 366424020 /nfs/dbraw/zinc/42/40/20/366424020.db2.gz SDXWVGBSEPEUPQ-NSHDSACASA-N 1 0 244.335 0.202 10 0 BCAERO CC(C)(O)C[NH2+]C[C@H]1CCC[C@H](O)C1 ZINC000227738303 358363163 /nfs/dbraw/zinc/36/31/63/358363163.db2.gz YSOLHOXGAPXHPV-UWVGGRQHSA-N 1 0 201.310 0.898 10 0 BCAERO CCCCOC[C@@H](O)C[NH2+]C[C@@H](O)C(C)C ZINC000227896859 358365942 /nfs/dbraw/zinc/36/59/42/358365942.db2.gz NELOMDRPHXCCAW-NWDGAFQWSA-N 1 0 233.352 0.771 10 0 BCAERO CCCCOC[C@H](O)C[NH2+]C[C@@H](O)C(C)C ZINC000227896868 358366055 /nfs/dbraw/zinc/36/60/55/358366055.db2.gz NELOMDRPHXCCAW-VXGBXAGGSA-N 1 0 233.352 0.771 10 0 BCAERO C[C@@H](NC(=O)[C@H]1CC[NH2+]C1)c1cn[nH]c1 ZINC000229705886 358406931 /nfs/dbraw/zinc/40/69/31/358406931.db2.gz CEOMQQWASZAINF-SFYZADRCSA-N 1 0 208.265 0.196 10 0 BCAERO COC[C@H](C)[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000173906297 134278457 /nfs/dbraw/zinc/27/84/57/134278457.db2.gz IMSRKQCPHJIGAU-RYUDHWBXSA-N 1 0 228.336 0.428 10 0 BCAERO CNC(=O)C(C)(C)CNC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000230393918 358398761 /nfs/dbraw/zinc/39/87/61/358398761.db2.gz AQITZEXVTOQYNI-RKDXNWHRSA-N 1 0 241.335 0.002 10 0 BCAERO C[C@@]1(NC(=O)C[C@@H]2CCC[NH2+]C2)CCOC1 ZINC000229459392 358403656 /nfs/dbraw/zinc/40/36/56/358403656.db2.gz QUPUDAAMYLOPEE-CMPLNLGQSA-N 1 0 226.320 0.671 10 0 BCAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@@H](C)[NH2+]C ZINC000086188893 358442740 /nfs/dbraw/zinc/44/27/40/358442740.db2.gz YXKVOCIHHPFKTM-MNOVXSKESA-N 1 0 227.352 0.537 10 0 BCAERO CCc1cnc(CNC(=O)[C@@H]2CC[C@@H]([NH3+])C2)o1 ZINC000231646285 358417521 /nfs/dbraw/zinc/41/75/21/358417521.db2.gz JPDOEOLNXOYVLR-RKDXNWHRSA-N 1 0 237.303 0.981 10 0 BCAERO CCOC(=O)CC[C@H](O)C[NH2+][C@H]1CCO[C@@H]1C ZINC000385490522 358442186 /nfs/dbraw/zinc/44/21/86/358442186.db2.gz DBJGCESHFFCUHT-VWYCJHECSA-N 1 0 245.319 0.458 10 0 BCAERO CCOC(=O)CC[C@H](O)C[NH2+]CC[C@H](C)O ZINC000385496858 358442357 /nfs/dbraw/zinc/44/23/57/358442357.db2.gz DVEGRECNWQTKQF-UWVGGRQHSA-N 1 0 233.308 0.051 10 0 BCAERO CCS(=O)(=O)N1CCC[C@@H](C)[C@H]1[NH3+] ZINC000300229554 358570407 /nfs/dbraw/zinc/57/04/07/358570407.db2.gz YADAHGIZLHPOIT-SFYZADRCSA-N 1 0 206.311 0.353 10 0 BCAERO O[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CO[C@@H](C2CC2)C1 ZINC000628467883 358580328 /nfs/dbraw/zinc/58/03/28/358580328.db2.gz FNHFBMTWNWOCCN-NNYUYHANSA-N 1 0 227.304 0.293 10 0 BCAERO CC[N@@H+]1CCC[C@@H]1CN(C)CC(=O)NC1CC1 ZINC000175344752 134285662 /nfs/dbraw/zinc/28/56/62/134285662.db2.gz MBEPRNPGNSEFPL-GFCCVEGCSA-N 1 0 239.363 0.681 10 0 BCAERO Cn1nncc1C[NH2+]Cc1ccc(O)cc1 ZINC000129740767 358594713 /nfs/dbraw/zinc/59/47/13/358594713.db2.gz JIDDBAKBCQYHOM-UHFFFAOYSA-N 1 0 218.260 0.811 10 0 BCAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CN(C)C ZINC000175447995 134287158 /nfs/dbraw/zinc/28/71/58/134287158.db2.gz BKQVJSOLMVUUIQ-VXGBXAGGSA-N 1 0 239.363 0.633 10 0 BCAERO CC(C)[C@@H]([NH3+])CCN(C)c1nccn2cnnc12 ZINC000133572074 358759722 /nfs/dbraw/zinc/75/97/22/358759722.db2.gz SFKFUCIVQLZONM-JTQLQIEISA-N 1 0 248.334 0.934 10 0 BCAERO CNC(=O)[C@H](C[NH3+])Cc1ccc(F)cc1 ZINC000050303782 358724967 /nfs/dbraw/zinc/72/49/67/358724967.db2.gz CUZPVSNVCUBMEB-VIFPVBQESA-N 1 0 210.252 0.689 10 0 BCAERO CCC[NH+]1CCC(N[C@@H]2CCCNC2=O)CC1 ZINC000050393985 358726319 /nfs/dbraw/zinc/72/63/19/358726319.db2.gz VUPSNRKKCSPYBK-GFCCVEGCSA-N 1 0 239.363 0.729 10 0 BCAERO C[C@H](NC(=O)N(C)CC[NH+](C)C)[C@@H]1CCCO1 ZINC000176224552 134289862 /nfs/dbraw/zinc/28/98/62/134289862.db2.gz IYHJEEIBMZWKHG-QWRGUYRKSA-N 1 0 243.351 0.757 10 0 BCAERO NC(=O)c1ccc(NC2CC[NH2+]CC2)cc1 ZINC000036301789 181298806 /nfs/dbraw/zinc/29/88/06/181298806.db2.gz QJVREAZCZILQEQ-UHFFFAOYSA-N 1 0 219.288 0.949 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)NC[C@@H]2CC[N@H+](C)C2)O1 ZINC000134117023 358780605 /nfs/dbraw/zinc/78/06/05/358780605.db2.gz UEMJXMSHFWKESI-OUAUKWLOSA-N 1 0 226.320 0.622 10 0 BCAERO Cc1cc(N[C@@H](C)CC[NH3+])n2ncnc2n1 ZINC000134268306 358784719 /nfs/dbraw/zinc/78/47/19/358784719.db2.gz DXTUJHQOUSQWKX-ZETCQYMHSA-N 1 0 220.280 0.582 10 0 BCAERO O=C1NCCN1CC[N@H+]1CCC[C@H]1CCCO ZINC000052761771 358792783 /nfs/dbraw/zinc/79/27/83/358792783.db2.gz UKELQCIXGSQFOJ-NSHDSACASA-N 1 0 241.335 0.249 10 0 BCAERO C[C@@H]1OCC[C@@H]1[NH2+]C[C@H](O)Cn1cccn1 ZINC000134542187 358794707 /nfs/dbraw/zinc/79/47/07/358794707.db2.gz WAGMVMRPEDBOFG-DCAQKATOSA-N 1 0 225.292 0.011 10 0 BCAERO C[C@H](NC(=O)[C@@]1(C)CC[NH2+]C1)[C@@H]1CCCO1 ZINC000219818855 134292016 /nfs/dbraw/zinc/29/20/16/134292016.db2.gz MORPWIAPXKBDCC-NHCYSSNCSA-N 1 0 226.320 0.670 10 0 BCAERO CC[N@@H+]1CCC[C@@H](NCc2cn(C)nn2)C1 ZINC000054860815 358877424 /nfs/dbraw/zinc/87/74/24/358877424.db2.gz XQMVXJWCDODQRS-SNVBAGLBSA-N 1 0 223.324 0.389 10 0 BCAERO NC(=O)[C@@]1([NH3+])CC[C@@H](Sc2ncc[nH]2)C1 ZINC000300340097 358967410 /nfs/dbraw/zinc/96/74/10/358967410.db2.gz OSDLLCUYLKXFIJ-HZGVNTEJSA-N 1 0 226.305 0.237 10 0 BCAERO C[C@H](O)C[C@H](C)[N@@H+]1CCN(C)C[C@H]1C ZINC000300355864 358971795 /nfs/dbraw/zinc/97/17/95/358971795.db2.gz TWVHVZDHACKZSG-AXFHLTTASA-N 1 0 200.326 0.782 10 0 BCAERO C[C@@H]1SCC[C@H]1N1C[C@H]([NH3+])CC1=O ZINC000306167496 358976755 /nfs/dbraw/zinc/97/67/55/358976755.db2.gz DBQHLSWEQIUKIO-XLPZGREQSA-N 1 0 200.307 0.440 10 0 BCAERO CC[C@H](NC(=O)[C@H]1CNC(=O)C1)c1ncc[nH]1 ZINC000141581845 358932192 /nfs/dbraw/zinc/93/21/92/358932192.db2.gz QCIRYKHJLFPHIL-SFYZADRCSA-N 1 0 236.275 0.113 10 0 BCAERO OC1(Cc2ccc(Br)cn2)C[NH2+]C1 ZINC000160837633 358956874 /nfs/dbraw/zinc/95/68/74/358956874.db2.gz KVROVESSVLNJKB-UHFFFAOYSA-N 1 0 243.104 0.721 10 0 BCAERO C[C@@H](CO)[N@@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000306195909 359023828 /nfs/dbraw/zinc/02/38/28/359023828.db2.gz PDSMFXKOTVLIAR-NKWVEPMBSA-N 1 0 213.199 0.366 10 0 BCAERO C[C@H](CO)[N@@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000306195910 359024397 /nfs/dbraw/zinc/02/43/97/359024397.db2.gz PDSMFXKOTVLIAR-RNFRBKRXSA-N 1 0 213.199 0.366 10 0 BCAERO C[C@H](O)CCN(C)C(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000158336388 359004158 /nfs/dbraw/zinc/00/41/58/359004158.db2.gz ATVLEXWLPALJTC-AEJSXWLSSA-N 1 0 214.309 0.343 10 0 BCAERO [NH3+]C[C@H](C(=O)[O-])[NH+]1CCC2(CCC2)CC1 ZINC000306188212 359004686 /nfs/dbraw/zinc/00/46/86/359004686.db2.gz CKDNNFDEEGFMGD-SECBINFHSA-N 1 0 212.293 0.664 10 0 BCAERO C[C@@H](C[NH2+][C@@H](C)[C@H]1CCOC1)N1CCOCC1 ZINC000247060959 359190992 /nfs/dbraw/zinc/19/09/92/359190992.db2.gz NUKVPYTUNAWXTR-AVGNSLFASA-N 1 0 242.363 0.722 10 0 BCAERO C[C@H](O)C[N@@H+]1CCN(C[C@@H]2CCCO2)C[C@@H]1C ZINC000247090138 359193687 /nfs/dbraw/zinc/19/36/87/359193687.db2.gz HMJCMAXZQQFELG-AVGNSLFASA-N 1 0 242.363 0.552 10 0 BCAERO C[C@H](CS(C)(=O)=O)[NH2+]C[C@H]1CCCC[C@H]1O ZINC000246942748 359176030 /nfs/dbraw/zinc/17/60/30/359176030.db2.gz JRWNMEABOFKACH-GMTAPVOTSA-N 1 0 249.376 0.560 10 0 BCAERO C[C@H](O)C[N@@H+]1CCN(CCCF)C[C@@H]1C ZINC000248131177 359256019 /nfs/dbraw/zinc/25/60/19/359256019.db2.gz OMGSUWGMEVWLAA-QWRGUYRKSA-N 1 0 218.316 0.733 10 0 BCAERO CC(=O)NCCCN1CC[N@@H+]2CCC[C@H]2C1 ZINC000247151276 359197230 /nfs/dbraw/zinc/19/72/30/359197230.db2.gz LRCUELBWMICJBJ-LBPRGKRZSA-N 1 0 225.336 0.293 10 0 BCAERO Cn1cc(CN2CC[N@@H+]3CCC[C@H]3C2)cn1 ZINC000247233134 359203976 /nfs/dbraw/zinc/20/39/76/359203976.db2.gz RLZHVQIBCPPNFD-LBPRGKRZSA-N 1 0 220.320 0.700 10 0 BCAERO C[C@@H]1CC[N@H+](C[C@H](O)CN2CCCC2=O)[C@H]1C ZINC000247346075 359214808 /nfs/dbraw/zinc/21/48/08/359214808.db2.gz OKUOSDRNDYLZBZ-WOPDTQHZSA-N 1 0 240.347 0.700 10 0 BCAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1CC(=O)N(C)C ZINC000247464191 359221936 /nfs/dbraw/zinc/22/19/36/359221936.db2.gz RCBWLMHDIVHIIB-MNOVXSKESA-N 1 0 225.336 0.243 10 0 BCAERO C[C@@]1(CNC(=O)C(F)F)CCCC[NH2+]1 ZINC000306207720 359299819 /nfs/dbraw/zinc/29/98/19/359299819.db2.gz DBSRSKWJSQKHRU-VIFPVBQESA-N 1 0 206.236 0.900 10 0 BCAERO O=C1OCC[C@@H]1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000248341861 359265704 /nfs/dbraw/zinc/26/57/04/359265704.db2.gz JGFRXVGYAWSZFT-MNOVXSKESA-N 1 0 224.304 0.472 10 0 BCAERO CCNC(=O)CCN1CC[N@@H+]2CCCC[C@H]2C1 ZINC000248341874 359266960 /nfs/dbraw/zinc/26/69/60/359266960.db2.gz JGMSSIWIUMACGK-LBPRGKRZSA-N 1 0 239.363 0.683 10 0 BCAERO C[C@H]([NH3+])C(=O)NC[C@]1(O)CCC[C@@H]1C ZINC000306227737 359363720 /nfs/dbraw/zinc/36/37/20/359363720.db2.gz DQMQYGUFIUHRIL-OYNCUSHFSA-N 1 0 200.282 0.001 10 0 BCAERO C[C@H]([NH3+])CNC(=O)c1c[nH]c(Br)c1 ZINC000306230680 359382709 /nfs/dbraw/zinc/38/27/09/359382709.db2.gz BOZVRQBIVFDVOY-YFKPBYRVSA-N 1 0 246.108 0.854 10 0 BCAERO COC[C@@H](C)[NH2+]Cc1cc(=O)c(O)co1 ZINC000308904102 491140014 /nfs/dbraw/zinc/14/00/14/491140014.db2.gz CCEBHZDXJXDWOB-SSDOTTSWSA-N 1 0 213.233 0.470 10 0 BCAERO C[C@@H]([NH3+])C(=O)NC1CCC(CO)CC1 ZINC000306214889 359323856 /nfs/dbraw/zinc/32/38/56/359323856.db2.gz XWBONXHEZIMFFW-AFPNSQJFSA-N 1 0 200.282 0.001 10 0 BCAERO CNC(=S)N[C@@H]1CC[C@H]([NH+](C)C)C1 ZINC000306223101 359345226 /nfs/dbraw/zinc/34/52/26/359345226.db2.gz XVKZXUYNPJXACS-SFYZADRCSA-N 1 0 201.339 0.563 10 0 BCAERO [NH3+]CCC(=O)N1CC(F)(F)C(F)(F)C1 ZINC000306248087 359435201 /nfs/dbraw/zinc/43/52/01/359435201.db2.gz WWCFMYXPLOIGCG-UHFFFAOYSA-N 1 0 214.162 0.448 10 0 BCAERO C[C@@]1(O)CC[N@H+](C[C@@H]2CCOCO2)C1 ZINC000226202749 359439767 /nfs/dbraw/zinc/43/97/67/359439767.db2.gz SNXJWMLGYFWZFK-VHSXEESVSA-N 1 0 201.266 0.206 10 0 BCAERO [NH3+][C@H]1CCOC[C@H]1N1CCC(F)(F)C1 ZINC000306248491 359443611 /nfs/dbraw/zinc/44/36/11/359443611.db2.gz UVHZDBOUXVLAQO-JGVFFNPUSA-N 1 0 206.236 0.444 10 0 BCAERO C[C@@H]1SCC[C@H]1NC(=O)C1C[NH2+]C1 ZINC000306260705 359479542 /nfs/dbraw/zinc/47/95/42/359479542.db2.gz VEZUPOYMUWXSIP-POYBYMJQSA-N 1 0 200.307 0.216 10 0 BCAERO C([NH2+]C1COCCOC1)[C@@H]1CCCS1 ZINC000306255103 359460498 /nfs/dbraw/zinc/46/04/98/359460498.db2.gz OQYRBMXOFXCLAM-JTQLQIEISA-N 1 0 217.334 0.887 10 0 BCAERO CC(C)[NH2+][C@@]1(C(N)=O)CSC[C@@H]1C ZINC000306259474 359472676 /nfs/dbraw/zinc/47/26/76/359472676.db2.gz TUYSNBYSSOPWRR-CBAPKCEASA-N 1 0 202.323 0.591 10 0 BCAERO CS(=O)(=O)[C@@H]1CC[N@@H+](C2CCC2)C1 ZINC000306259458 359472963 /nfs/dbraw/zinc/47/29/63/359472963.db2.gz TUFKMHPJRGTZSI-SECBINFHSA-N 1 0 203.307 0.658 10 0 BCAERO [NH2+]=C(NCc1ccccc1)N[C@H]1COC[C@@H]1O ZINC000306270859 359503057 /nfs/dbraw/zinc/50/30/57/359503057.db2.gz QFDORQDYDAJTPQ-QWRGUYRKSA-N 1 0 235.287 0.060 10 0 BCAERO C[C@H]1C[NH2+]CC[C@H]1CNC(=O)C(F)(F)F ZINC000306296970 359541642 /nfs/dbraw/zinc/54/16/42/359541642.db2.gz AXKYLHMQBLKASG-BQBZGAKWSA-N 1 0 224.226 0.911 10 0 BCAERO COC(C)(C)CN(C)C(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000404333944 359578317 /nfs/dbraw/zinc/57/83/17/359578317.db2.gz DUZXZWCPCNPGFW-NXEZZACHSA-N 1 0 228.336 0.997 10 0 BCAERO COC(=O)CC[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000086886129 359585023 /nfs/dbraw/zinc/58/50/23/359585023.db2.gz LYCVJZGZMNNGCT-IUCAKERBSA-N 1 0 200.282 0.219 10 0 BCAERO [NH3+]C[C@]1(Cc2cnns2)CCCCO1 ZINC000306309515 359591278 /nfs/dbraw/zinc/59/12/78/359591278.db2.gz LNABTCIMJHGKME-SECBINFHSA-N 1 0 213.306 0.979 10 0 BCAERO C[C@H]1CN([C@@H]2C[NH2+]C[C@H]2O)C[C@H](C)S1 ZINC000306320740 359606056 /nfs/dbraw/zinc/60/60/56/359606056.db2.gz SYJSEBJPRRNXLS-AXTSPUMRSA-N 1 0 216.350 0.145 10 0 BCAERO C[Si](C)(C)C[C@]1([NH3+])CCS(=O)(=O)C1 ZINC000306330224 359611217 /nfs/dbraw/zinc/61/12/17/359611217.db2.gz DPIVORABTIYCBV-QMMMGPOBSA-N 1 0 221.398 0.841 10 0 BCAERO COc1ccccc1C[NH2+][C@H]1CCOC[C@H]1O ZINC000623764600 359624589 /nfs/dbraw/zinc/62/45/89/359624589.db2.gz HLEWBCZVRHZWML-NWDGAFQWSA-N 1 0 237.299 0.935 10 0 BCAERO O[C@H]1COCC[C@@H]1[NH2+]Cc1cccnc1 ZINC000623764635 359624829 /nfs/dbraw/zinc/62/48/29/359624829.db2.gz IALJQWTXKHWOGG-QWRGUYRKSA-N 1 0 208.261 0.321 10 0 BCAERO O[C@H]1COCC[C@@H]1[NH2+]Cc1ccsc1 ZINC000623764753 359629645 /nfs/dbraw/zinc/62/96/45/359629645.db2.gz JMQVOERPMPFRMX-UWVGGRQHSA-N 1 0 213.302 0.988 10 0 BCAERO CCCn1cc(C[NH2+][C@H]2CCOC[C@H]2O)cn1 ZINC000623764872 359632563 /nfs/dbraw/zinc/63/25/63/359632563.db2.gz LFBAFZKVUAFJME-NWDGAFQWSA-N 1 0 239.319 0.533 10 0 BCAERO C[C@H]1CC[NH2+][C@H]1C(=O)N=S(C)(C)=O ZINC000306349010 359669563 /nfs/dbraw/zinc/66/95/63/359669563.db2.gz KCWIYPBZCDNBEF-NKWVEPMBSA-N 1 0 204.295 0.239 10 0 BCAERO Nc1ncc(Cl)cc1[C@@H](O)CC[NH3+] ZINC000130370862 359672276 /nfs/dbraw/zinc/67/22/76/359672276.db2.gz PWMLTOIVSVLSOQ-ZETCQYMHSA-N 1 0 201.657 0.699 10 0 BCAERO COC1CN(c2nc(C)c(C[NH3+])s2)C1 ZINC000306358193 359684094 /nfs/dbraw/zinc/68/40/94/359684094.db2.gz XYLJGPTVELUUTO-UHFFFAOYSA-N 1 0 213.306 0.745 10 0 BCAERO CC[C@@H]([NH3+])C(=O)N[C@@H]1COCC1(C)C ZINC000306376104 359711833 /nfs/dbraw/zinc/71/18/33/359711833.db2.gz QUIXFBWSHIWUDE-HTQZYQBOSA-N 1 0 200.282 0.265 10 0 BCAERO O=C1CCOC[C@H]1C[N@H+]1CCC[C@@H](O)C1 ZINC000231308097 359733733 /nfs/dbraw/zinc/73/37/33/359733733.db2.gz CTNDAFWCDWJUBA-NXEZZACHSA-N 1 0 213.277 0.049 10 0 BCAERO C[C@@H]1C[C@@H]1[NH2+][C@H]1CCS(=O)(=O)[C@@H]1C ZINC000306385352 359736306 /nfs/dbraw/zinc/73/63/06/359736306.db2.gz FZKZVCYTXMQHPS-HXFLIBJXSA-N 1 0 203.307 0.560 10 0 BCAERO C[NH2+]C[C@@H]1C[C@]12CCS(=O)(=O)[C@@H]2C ZINC000306389050 359743792 /nfs/dbraw/zinc/74/37/92/359743792.db2.gz QGIZVNMVXHFANI-VGMNWLOBSA-N 1 0 203.307 0.419 10 0 BCAERO CNC(=S)N[C@@H]1CC[C@@H]([NH+](C)C)C1 ZINC000306390034 359747036 /nfs/dbraw/zinc/74/70/36/359747036.db2.gz XVKZXUYNPJXACS-HTQZYQBOSA-N 1 0 201.339 0.563 10 0 BCAERO C[C@H]([NH3+])[C@@H]1CN(c2nncs2)CCO1 ZINC000169206829 359776016 /nfs/dbraw/zinc/77/60/16/359776016.db2.gz OVNHPXDACBCULY-BQBZGAKWSA-N 1 0 214.294 0.091 10 0 BCAERO CNC(=O)[C@H](C[NH3+])Cc1ccc(OC)c(F)c1 ZINC000086992197 359892801 /nfs/dbraw/zinc/89/28/01/359892801.db2.gz WKXKTXYUTQFJTR-VIFPVBQESA-N 1 0 240.278 0.698 10 0 BCAERO Cc1nn(C)cc1[C@H](C)[NH2+][C@@H]1CCCNC1=O ZINC000087409675 359911398 /nfs/dbraw/zinc/91/13/98/359911398.db2.gz REFIVNMDTRUCFK-GZMMTYOYSA-N 1 0 236.319 0.658 10 0 BCAERO CC(C)([NH3+])CN1CCC[S@](=O)CC1 ZINC000306438471 359949575 /nfs/dbraw/zinc/94/95/75/359949575.db2.gz IKJNFSTWDKZUSU-ZDUSSCGKSA-N 1 0 204.339 0.178 10 0 BCAERO Cc1nc(C[NH2+][C@H]2CCC(=O)N[C@H]2C)[nH]c1C ZINC000578787485 366650514 /nfs/dbraw/zinc/65/05/14/366650514.db2.gz QPIQXRYDKLNWIH-UWVGGRQHSA-N 1 0 236.319 0.783 10 0 BCAERO Cc1occc1C(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000578879862 366666130 /nfs/dbraw/zinc/66/61/30/366666130.db2.gz PJEKXPZHUPJKFH-WDEREUQCSA-N 1 0 236.271 0.401 10 0 BCAERO C[C@@H]1CN(C(=O)c2cncc(O)c2)C[C@H]1[NH+](C)C ZINC000089710424 360035827 /nfs/dbraw/zinc/03/58/27/360035827.db2.gz LDYYSUHECOAUJX-BXKDBHETSA-N 1 0 249.314 0.809 10 0 BCAERO C[C@@H]1C[C@@H]1[C@@H]1NCCS(=O)(=O)[C@@H]1C ZINC000306466469 360075218 /nfs/dbraw/zinc/07/52/18/360075218.db2.gz GBVXQDBVTIMGAN-LURQLKTLSA-N 1 0 203.307 0.418 10 0 BCAERO CC[C@H](C[NH3+])N1CCC[S@](=O)CC1 ZINC000306481409 360142544 /nfs/dbraw/zinc/14/25/44/360142544.db2.gz KEFCLNAMXORJDF-RNCFNFMXSA-N 1 0 204.339 0.178 10 0 BCAERO C[C@@H](C[NH3+])NC(=O)c1c[nH]c(Br)c1 ZINC000306478799 360115760 /nfs/dbraw/zinc/11/57/60/360115760.db2.gz ZWILADUGMYCYNB-YFKPBYRVSA-N 1 0 246.108 0.854 10 0 BCAERO C[C@H]1C[C@@H]([NH3+])CN(Cc2cnns2)C1 ZINC000306478666 360126887 /nfs/dbraw/zinc/12/68/87/360126887.db2.gz ZMNQAODPICUGQF-JGVFFNPUSA-N 1 0 212.322 0.707 10 0 BCAERO C[C@@H]([NH2+]C1CS(=O)(=O)C1)C(C)(C)C ZINC000306483319 360152058 /nfs/dbraw/zinc/15/20/58/360152058.db2.gz FERALTVUBCVTCL-SSDOTTSWSA-N 1 0 205.323 0.808 10 0 BCAERO O=[S@]1CCCN([C@@H]2CCC[NH2+]C2)CC1 ZINC000306484707 360160788 /nfs/dbraw/zinc/16/07/88/360160788.db2.gz MSWXCDKZUVKXMM-YGRLFVJLSA-N 1 0 216.350 0.193 10 0 BCAERO C[C@H]([NH3+])CN1CC[S@](=O)[C@H](C)[C@@H]1C ZINC000306488574 360187865 /nfs/dbraw/zinc/18/78/65/360187865.db2.gz KUMAVEWRBVPXSF-YDEXJTGXSA-N 1 0 204.339 0.175 10 0 BCAERO C[C@@H]([NH3+])CN1CC[S@@](=O)C(C)(C)C1 ZINC000306494884 360215006 /nfs/dbraw/zinc/21/50/06/360215006.db2.gz BMDJICBRQBMYGQ-AMIZOPFISA-N 1 0 204.339 0.177 10 0 BCAERO CON(C)C(=O)[C@]1([NH3+])CCCC[C@@H]1C ZINC000306496701 360224250 /nfs/dbraw/zinc/22/42/50/360224250.db2.gz FBWXXBPGZYOMIF-WPRPVWTQSA-N 1 0 200.282 0.914 10 0 BCAERO COc1ncc([C@]2(O)CC[C@H]([NH3+])C2)s1 ZINC000306496317 360224371 /nfs/dbraw/zinc/22/43/71/360224371.db2.gz XJAPCKVOYOZNPS-RCOVLWMOSA-N 1 0 214.290 0.851 10 0 BCAERO C[C@@H]1C[NH2+]CCN(C(=O)C(F)(F)F)C1 ZINC000306504531 360302579 /nfs/dbraw/zinc/30/25/79/360302579.db2.gz ZSWGVQZYBPFAAG-ZCFIWIBFSA-N 1 0 210.199 0.617 10 0 BCAERO NC(=O)c1ccc(N[C@H]2CCC[NH2+]C2)cc1 ZINC000043324047 181300918 /nfs/dbraw/zinc/30/09/18/181300918.db2.gz MQTIJIWEYXNPKT-NSHDSACASA-N 1 0 219.288 0.949 10 0 BCAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1nc[nH]n1 ZINC000095042499 360333641 /nfs/dbraw/zinc/33/36/41/360333641.db2.gz OSSNIGKTPRQYFT-VIFPVBQESA-N 1 0 237.307 0.361 10 0 BCAERO NC(=O)c1ccc(N[C@H]2CC[NH2+]C2)cc1 ZINC000052093741 181300749 /nfs/dbraw/zinc/30/07/49/181300749.db2.gz GVUMSYXEYFJKCD-JTQLQIEISA-N 1 0 205.261 0.559 10 0 BCAERO NC(=O)c1ccc(O[C@@H]2CC[NH2+]C2)c(F)c1 ZINC000051868519 181300866 /nfs/dbraw/zinc/30/08/66/181300866.db2.gz URYRNIIKDSGSRK-MRVPVSSYSA-N 1 0 224.235 0.665 10 0 BCAERO C[NH2+]Cc1cc(Br)nn1C ZINC000306522757 360363568 /nfs/dbraw/zinc/36/35/68/360363568.db2.gz MIRHYGZKOTVCRB-UHFFFAOYSA-N 1 0 204.071 0.902 10 0 BCAERO C1[NH2+]CC1N1CCC(C2OCCO2)CC1 ZINC000306525683 360366057 /nfs/dbraw/zinc/36/60/57/360366057.db2.gz QVMPUFSMZCXUFW-UHFFFAOYSA-N 1 0 212.293 0.043 10 0 BCAERO C[C@@H]1[C@H](N(C)C)CC[N@@H+]1C(C)(C)CO ZINC000306536253 360400154 /nfs/dbraw/zinc/40/01/54/360400154.db2.gz GYPSSDTTXGKRTA-NXEZZACHSA-N 1 0 200.326 0.782 10 0 BCAERO O=C1C[C@@H]([NH2+]CCF)[C@H]2CCCCN12 ZINC000306532567 360392291 /nfs/dbraw/zinc/39/22/91/360392291.db2.gz GSZILCDFEXOSGL-RKDXNWHRSA-N 1 0 200.257 0.699 10 0 BCAERO CC[C@](C)(O)C[N@@H+]1CCN[C@@H](C)[C@H]1C ZINC000306560722 360437807 /nfs/dbraw/zinc/43/78/07/360437807.db2.gz MRRJMYFPPRSTCM-AXFHLTTASA-N 1 0 200.326 0.830 10 0 BCAERO Nc1cc(NCCO)c(Br)c[nH+]1 ZINC000306562453 360440895 /nfs/dbraw/zinc/44/08/95/360440895.db2.gz URDVLXBIIJBFEE-UHFFFAOYSA-N 1 0 232.081 0.831 10 0 BCAERO C[C@H]([NH2+][C@H]1CCC(=O)N[C@H]1C)c1ncc[nH]1 ZINC000309423140 491149057 /nfs/dbraw/zinc/14/90/57/491149057.db2.gz KAIXZPSJHRRNCP-CIUDSAMLSA-N 1 0 222.292 0.727 10 0 BCAERO C[C@H]([NH3+])/C=C/c1c(Br)nnn1C ZINC000306541061 360409969 /nfs/dbraw/zinc/40/99/69/360409969.db2.gz XDGRQZWBLWSVGX-BHYDHMSTSA-N 1 0 231.097 0.938 10 0 BCAERO C[C@@H]1CC[N@@H+]([C@@H](C[NH3+])C(=O)[O-])CCS1 ZINC000306568752 360450269 /nfs/dbraw/zinc/45/02/69/360450269.db2.gz VINMHLGDGSBRGO-SFYZADRCSA-N 1 0 218.322 0.226 10 0 BCAERO C[C@@H]([NH3+])C[C@H](C)N1CCCS1(=O)=O ZINC000306544373 360414518 /nfs/dbraw/zinc/41/45/18/360414518.db2.gz UXGGTAHIABMITH-SFYZADRCSA-N 1 0 206.311 0.148 10 0 BCAERO CS(=O)(=O)[C@@H]1CCC[C@@H](C2C[NH2+]C2)C1 ZINC000306547263 360416321 /nfs/dbraw/zinc/41/63/21/360416321.db2.gz XDJWELZXDRRUHW-PSASIEDQSA-N 1 0 217.334 0.809 10 0 BCAERO Cc1cn(Cc2csnn2)nc1C[NH3+] ZINC000306556571 360428901 /nfs/dbraw/zinc/42/89/01/360428901.db2.gz MTMGNIBOLQDZMI-UHFFFAOYSA-N 1 0 209.278 0.550 10 0 BCAERO O=C(C[C@H]1COCC[NH2+]1)c1ccsn1 ZINC000306557946 360431126 /nfs/dbraw/zinc/43/11/26/360431126.db2.gz OLFOGWXXXGJSGI-ZETCQYMHSA-N 1 0 212.274 0.704 10 0 BCAERO C[C@H](CN)[NH2+]CC1CN(C(=O)OC(C)(C)C)C1 ZINC000306579875 360472821 /nfs/dbraw/zinc/47/28/21/360472821.db2.gz NIPKBWFJDGOVRC-SECBINFHSA-N 1 0 243.351 0.790 10 0 BCAERO Cn1cc(C(=O)C[C@@H]2CCC[NH2+]C2)nn1 ZINC000306588478 360492004 /nfs/dbraw/zinc/49/20/04/360492004.db2.gz VRBVQAPWPMJEAZ-QMMMGPOBSA-N 1 0 208.265 0.388 10 0 BCAERO C[C@@H]1CC[C@@H](C(=O)c2cnn(C)n2)C[NH2+]1 ZINC000306588106 360492588 /nfs/dbraw/zinc/49/25/88/360492588.db2.gz VJDDAHFLFDIKLO-HTQZYQBOSA-N 1 0 208.265 0.386 10 0 BCAERO CC(C)Oc1nccnc1N1CC[NH2+]CC1 ZINC000141965088 360463270 /nfs/dbraw/zinc/46/32/70/360463270.db2.gz IKUWIPVSKYQJGD-UHFFFAOYSA-N 1 0 222.292 0.673 10 0 BCAERO CC[C@H]1[C@@H](C[NH3+])CCN1S(C)(=O)=O ZINC000306576697 360466257 /nfs/dbraw/zinc/46/62/57/360466257.db2.gz KOGQFBSNAMZOHN-SFYZADRCSA-N 1 0 206.311 0.005 10 0 BCAERO C[C@H]1CSC(NC2COCCOC2)=[NH+]1 ZINC000306601976 360529978 /nfs/dbraw/zinc/52/99/78/360529978.db2.gz VDXCHXYKCFEKQS-ZETCQYMHSA-N 1 0 216.306 0.483 10 0 BCAERO CNC(=O)CSc1cc(N)c(C)c[nH+]1 ZINC000300838248 360532225 /nfs/dbraw/zinc/53/22/25/360532225.db2.gz QFJPVKOWTOWDHK-UHFFFAOYSA-N 1 0 211.290 0.810 10 0 BCAERO C[C@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC000306590770 360510399 /nfs/dbraw/zinc/51/03/99/360510399.db2.gz AJXZJJOMLAIRFR-QMMMGPOBSA-N 1 0 203.307 0.421 10 0 BCAERO C[C@H]([NH2+][C@H]1CC[NH2+]CC1(C)C)C(=O)[O-] ZINC000300801585 360513801 /nfs/dbraw/zinc/51/38/01/360513801.db2.gz FOURCQGQWZGPEV-YUMQZZPRSA-N 1 0 200.282 0.437 10 0 BCAERO C[C@H]([NH2+][C@@H]1CC[NH2+]CC1(C)C)C(=O)[O-] ZINC000300801583 360514344 /nfs/dbraw/zinc/51/43/44/360514344.db2.gz FOURCQGQWZGPEV-JGVFFNPUSA-N 1 0 200.282 0.437 10 0 BCAERO CSCCn1cc(C(C)(C)[NH3+])nn1 ZINC000130469220 360514371 /nfs/dbraw/zinc/51/43/71/360514371.db2.gz ZHFRFKHJBYOIKW-UHFFFAOYSA-N 1 0 200.311 0.835 10 0 BCAERO O=[S@](C1CCCC1)[C@@H]1C[NH2+]C[C@@H]1O ZINC000306606971 360550029 /nfs/dbraw/zinc/55/00/29/360550029.db2.gz SOILMHWRFDQLSJ-IGJMFERPSA-N 1 0 203.307 0.010 10 0 BCAERO O=[S@](C1CCCC1)[C@H]1C[NH2+]C[C@@H]1O ZINC000306606973 360550184 /nfs/dbraw/zinc/55/01/84/360550184.db2.gz SOILMHWRFDQLSJ-MWODSPESSA-N 1 0 203.307 0.010 10 0 BCAERO O=[S@](C1CCCC1)[C@H]1C[NH2+]C[C@H]1O ZINC000306606974 360550226 /nfs/dbraw/zinc/55/02/26/360550226.db2.gz SOILMHWRFDQLSJ-VYUIOLGVSA-N 1 0 203.307 0.010 10 0 BCAERO CC(C)(C)OC(=O)N1C(=O)CC[C@@H]1C[NH3+] ZINC000238148849 360625696 /nfs/dbraw/zinc/62/56/96/360625696.db2.gz HMMUCVLVMSRNRK-SSDOTTSWSA-N 1 0 214.265 0.871 10 0 BCAERO NC(=O)c1cccc(C(=O)N[C@H]2CCC[C@H]2[NH3+])c1 ZINC000063172775 181303971 /nfs/dbraw/zinc/30/39/71/181303971.db2.gz HKHIQILSSRTWLG-MNOVXSKESA-N 1 0 247.298 0.395 10 0 BCAERO NC(=O)c1cccnc1NCC[NH+]1CCCC1 ZINC000055372094 181307456 /nfs/dbraw/zinc/30/74/56/181307456.db2.gz FCUAPPLCJRUCCL-UHFFFAOYSA-N 1 0 234.303 0.688 10 0 BCAERO NC(=O)c1ccccc1NC[C@@H]1CCC[NH2+]1 ZINC000053255008 181306563 /nfs/dbraw/zinc/30/65/63/181306563.db2.gz TZKSRCPTRSPOCR-VIFPVBQESA-N 1 0 219.288 0.949 10 0 BCAERO NC(=O)c1ccccc1NC(=O)[C@H]1CCC[NH2+]1 ZINC000019410619 181306739 /nfs/dbraw/zinc/30/67/39/181306739.db2.gz LUSGTIILPUNMBT-SNVBAGLBSA-N 1 0 233.271 0.476 10 0 BCAERO NC(=O)c1cccnc1OC[C@@H]1CCC[NH2+]1 ZINC000051865781 181307714 /nfs/dbraw/zinc/30/77/14/181307714.db2.gz NUKKWQZLGYBFPM-QMMMGPOBSA-N 1 0 221.260 0.311 10 0 BCAERO CC[C@H]1COCCN1C(=O)C(C)(C)[NH3+] ZINC000040920975 360781421 /nfs/dbraw/zinc/78/14/21/360781421.db2.gz SOOPSXBKSWWKLG-QMMMGPOBSA-N 1 0 200.282 0.361 10 0 BCAERO O=C1NCC[C@H]1[NH2+]Cc1cc(F)cc(F)c1 ZINC000309602677 491152156 /nfs/dbraw/zinc/15/21/56/491152156.db2.gz XBXRLRGEMSDVMY-SNVBAGLBSA-N 1 0 226.226 0.943 10 0 BCAERO C[C@@H](NCC(F)(F)CO)[C@@H]1CCC[NH2+]C1 ZINC000578979270 366684645 /nfs/dbraw/zinc/68/46/45/366684645.db2.gz XVJAHOAQHDKJHW-RKDXNWHRSA-N 1 0 222.279 0.592 10 0 BCAERO CCN(C(=O)[C@H]1CCOC1)[C@@H]1CC[NH2+]C1 ZINC000040941619 360913910 /nfs/dbraw/zinc/91/39/10/360913910.db2.gz XPOSYOWRCANTKY-VHSXEESVSA-N 1 0 212.293 0.233 10 0 BCAERO [NH3+]C1(C(=O)N2CCC[C@@H]2CO)CCCCC1 ZINC000042434858 181323845 /nfs/dbraw/zinc/32/38/45/181323845.db2.gz BEMGADZRPQEUGI-SNVBAGLBSA-N 1 0 226.320 0.631 10 0 BCAERO CC[S@](=O)N1CCC[C@H]2C[NH2+]C[C@@H]21 ZINC000306614640 361143389 /nfs/dbraw/zinc/14/33/89/361143389.db2.gz APVCRUDEVBWOOE-RVBZMBCESA-N 1 0 202.323 0.354 10 0 BCAERO Cc1nnc(NC[C@@H]([NH3+])C(C)C)nc1C ZINC000158978754 361218072 /nfs/dbraw/zinc/21/80/72/361218072.db2.gz SBGGBKDSYOINNJ-SECBINFHSA-N 1 0 209.297 0.884 10 0 BCAERO [NH3+]C1(C(=O)N[C@H]2CCC[C@H](O)C2)CCCC1 ZINC000037479550 181327513 /nfs/dbraw/zinc/32/75/13/181327513.db2.gz LOCCRHIZTOPCSZ-UWVGGRQHSA-N 1 0 226.320 0.678 10 0 BCAERO [NH3+]C1(C(=O)N[C@@H]2CCC(=O)NC2)CCCCC1 ZINC000111021207 181327756 /nfs/dbraw/zinc/32/77/56/181327756.db2.gz IXBVEBJUBIGMTE-SECBINFHSA-N 1 0 239.319 0.043 10 0 BCAERO [NH3+]C1(C(=O)NCc2cn[nH]c2)CCCCC1 ZINC000038006588 181327039 /nfs/dbraw/zinc/32/70/39/181327039.db2.gz WSGXDCCKCKNEGM-UHFFFAOYSA-N 1 0 222.292 0.688 10 0 BCAERO [NH3+][C@@H]1CCC[C@@H]1NC(=O)[C@@H]1CCCS1 ZINC000069986864 361322253 /nfs/dbraw/zinc/32/22/53/361322253.db2.gz ITWBSMUBHPKUPS-VGMNWLOBSA-N 1 0 214.334 0.878 10 0 BCAERO [NH3+]C1(CN2CCS(=O)CC2)CCCC1 ZINC000049692991 181331071 /nfs/dbraw/zinc/33/10/71/181331071.db2.gz XTJCDWGKBAGMED-UHFFFAOYSA-N 1 0 216.350 0.322 10 0 BCAERO C[C@H]1C[NH2+]CC[C@H]1N1CCS(=O)CC1 ZINC000070045882 361382983 /nfs/dbraw/zinc/38/29/83/361382983.db2.gz QHXRCNJRZNNDDS-VHSXEESVSA-N 1 0 216.350 0.049 10 0 BCAERO [NH3+]Cc1cnc(Sc2nncs2)cn1 ZINC000070581656 361569277 /nfs/dbraw/zinc/56/92/77/361569277.db2.gz VWHHLZDBEJKGPG-UHFFFAOYSA-N 1 0 225.302 0.938 10 0 BCAERO O=C1NCC[C@H]1[NH2+]C[C@H]1CCCCS1 ZINC000306639011 361590782 /nfs/dbraw/zinc/59/07/82/361590782.db2.gz CFKJBJSBEBHCFK-RKDXNWHRSA-N 1 0 214.334 0.750 10 0 BCAERO [NH2+]=C1NC[C@@]2(CCc3ccccc3C2)N1 ZINC000013743774 181340318 /nfs/dbraw/zinc/34/03/18/181340318.db2.gz FJCGGAPXIYTABL-LBPRGKRZSA-N 1 0 201.273 0.832 10 0 BCAERO [NH3+]C1CCC(C(=O)N2CCC[NH2+]CC2)CC1 ZINC000037482152 181340480 /nfs/dbraw/zinc/34/04/80/181340480.db2.gz HKWZZOPLCOSDKF-UHFFFAOYSA-N 1 0 225.336 0.326 10 0 BCAERO [NH3+]C1CCC(C(=O)Nc2cc[nH]n2)CC1 ZINC000042414796 181340590 /nfs/dbraw/zinc/34/05/90/181340590.db2.gz RAVNIVDVIZYWDS-UHFFFAOYSA-N 1 0 208.265 0.866 10 0 BCAERO [NH3+]C1CCC(CN2CCS(=O)CC2)CC1 ZINC000049692998 181341025 /nfs/dbraw/zinc/34/10/25/181341025.db2.gz AEEFDYGVMBIKMH-UHFFFAOYSA-N 1 0 230.377 0.568 10 0 BCAERO [NH3+]C1CCC(CN2CCS(=O)(=O)CC2)CC1 ZINC000037482499 181341216 /nfs/dbraw/zinc/34/12/16/181341216.db2.gz YKOZGALXTQZYTQ-UHFFFAOYSA-N 1 0 246.376 0.234 10 0 BCAERO O=C1CC[C@H](C[NH2+][C@H]2CCCSC2)N1 ZINC000070628200 361681683 /nfs/dbraw/zinc/68/16/83/361681683.db2.gz IQPHBNOOHYPUDJ-BDAKNGLRSA-N 1 0 214.334 0.750 10 0 BCAERO [NH3+]C1CCN(C(=O)Cc2ccc(O)cc2)CC1 ZINC000036753506 181343905 /nfs/dbraw/zinc/34/39/05/181343905.db2.gz XJNHXNTVUCRWQX-UHFFFAOYSA-N 1 0 234.299 0.884 10 0 BCAERO C[C@@H]1CC[C@]([NH3+])(CCS(C)(=O)=O)C1 ZINC000070645438 361693576 /nfs/dbraw/zinc/69/35/76/361693576.db2.gz YSGXWUZXYFWZDD-BDAKNGLRSA-N 1 0 205.323 0.939 10 0 BCAERO C[C@@H](O)[C@@H]([NH3+])CNc1ccc(Cl)cn1 ZINC000070648124 361695527 /nfs/dbraw/zinc/69/55/27/361695527.db2.gz USIUHAMFUIKQDJ-SVRRBLITSA-N 1 0 215.684 0.855 10 0 BCAERO C(SC1CCOCC1)[C@@H]1C[NH2+]CCO1 ZINC000070649863 361696038 /nfs/dbraw/zinc/69/60/38/361696038.db2.gz JDHHJLBZCWSXRK-VIFPVBQESA-N 1 0 217.334 0.887 10 0 BCAERO CS(=O)(=O)NC1(C(N)=[NH2+])CCCCC1 ZINC000070661445 361699024 /nfs/dbraw/zinc/69/90/24/361699024.db2.gz UHCQHENJLQLFJW-UHFFFAOYSA-N 1 0 219.310 0.174 10 0 BCAERO [NH3+]CC(=O)N(C[C@@H]1CCCO1)[C@@H]1CCSC1 ZINC000037810596 181348351 /nfs/dbraw/zinc/34/83/51/181348351.db2.gz SBKZOFHSRBAAKM-ZJUUUORDSA-N 1 0 244.360 0.458 10 0 BCAERO CNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C(C)=O)C1 ZINC000224870914 363856471 /nfs/dbraw/zinc/85/64/71/363856471.db2.gz JNFAQCZNNXFIRG-WCBMZHEXSA-N 1 0 212.293 0.422 10 0 BCAERO C[C@@H]1[C@H]2C[NH2+]C[C@H]2CN1c1nncs1 ZINC000252554143 363893053 /nfs/dbraw/zinc/89/30/53/363893053.db2.gz GUDITPNPCFLJEE-GJMOJQLCSA-N 1 0 210.306 0.582 10 0 BCAERO [NH3+]CC(=O)NCC(=O)Nc1ccc2[nH]ccc2c1 ZINC000040809846 181351645 /nfs/dbraw/zinc/35/16/45/181351645.db2.gz UUTUSRUNLHEZCZ-UHFFFAOYSA-N 1 0 246.270 0.181 10 0 BCAERO [NH3+]CC(=O)NCC[S@](=O)Cc1ccccc1 ZINC000237969346 181352209 /nfs/dbraw/zinc/35/22/09/181352209.db2.gz CXDBKYSJNLVNMQ-INIZCTEOSA-N 1 0 240.328 0.010 10 0 BCAERO C[C@@H]1COC[C@@H]([C@@H]2COC(C)(C)C2=O)[NH2+]1 ZINC000306323440 541312513 /nfs/dbraw/zinc/31/25/13/541312513.db2.gz MJLCERORSAYSIN-VGMNWLOBSA-N 1 0 213.277 0.357 10 0 BCAERO Cc1nnsc1[C@H](O)C(C)(C)C[NH3+] ZINC000306643372 541313852 /nfs/dbraw/zinc/31/38/52/541313852.db2.gz WKZBTHACMSNXLT-ZETCQYMHSA-N 1 0 201.295 0.865 10 0 BCAERO C[C@H](O)CC[N@H+](C)C[C@@H]1CN(C)CCO1 ZINC000128425025 364005520 /nfs/dbraw/zinc/00/55/20/364005520.db2.gz XELPBXCBVHNJHW-WDEREUQCSA-N 1 0 216.325 0.020 10 0 BCAERO [NH3+]CC(=O)NCc1cc(F)cc(F)c1 ZINC000083343321 181353684 /nfs/dbraw/zinc/35/36/84/181353684.db2.gz LAKNYRVSRFRMMX-UHFFFAOYSA-N 1 0 200.188 0.540 10 0 BCAERO Cc1cc(=O)n(CCC[NH+](C)C)cc1N ZINC000125801217 541326619 /nfs/dbraw/zinc/32/66/19/541326619.db2.gz ZPLZHZTVQZWVRR-UHFFFAOYSA-N 1 0 209.293 0.691 10 0 BCAERO CCCS(=O)(=O)NC[C@@H]1CCCC[NH2+]C1 ZINC000308807198 541329399 /nfs/dbraw/zinc/32/93/99/541329399.db2.gz GFQXSNSENWUDQT-SNVBAGLBSA-N 1 0 234.365 0.706 10 0 BCAERO [NH3+]CC(=O)N[C@@H]1CCC[C@@H]1n1ccnc1 ZINC000037045735 181353820 /nfs/dbraw/zinc/35/38/20/181353820.db2.gz NNMXROBRNRSDPE-BDAKNGLRSA-N 1 0 208.265 0.052 10 0 BCAERO CCOCCN1C[C@@H](OC)C[C@]1(C)C[NH3+] ZINC000630356054 364077281 /nfs/dbraw/zinc/07/72/81/364077281.db2.gz NFYHJFRSBNUYSA-WDEREUQCSA-N 1 0 216.325 0.461 10 0 BCAERO CO[C@H]1CN(C(=O)C2CCC2)[C@](C)(C[NH3+])C1 ZINC000630359834 364080486 /nfs/dbraw/zinc/08/04/86/364080486.db2.gz HFJYSPDTIYGFEO-PWSUYJOCSA-N 1 0 226.320 0.751 10 0 BCAERO C[C@H](O)CN(C)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC000725241534 541329662 /nfs/dbraw/zinc/32/96/62/541329662.db2.gz HPTCISWSJYBILP-TUAOUCFPSA-N 1 0 212.337 0.926 10 0 BCAERO CO[C@H]1CN(C(=O)c2ccc[nH]2)[C@@](C)(C[NH3+])C1 ZINC000630367292 364084911 /nfs/dbraw/zinc/08/49/11/364084911.db2.gz NOZPRGSJUFTWGJ-BXKDBHETSA-N 1 0 237.303 0.593 10 0 BCAERO CO[C@@H]1CN(Cc2ncc(C)o2)[C@](C)(C[NH3+])C1 ZINC000630362799 364081862 /nfs/dbraw/zinc/08/18/62/364081862.db2.gz BSJVGRZXCHUHOR-JQWIXIFHSA-N 1 0 239.319 0.921 10 0 BCAERO CO[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2C)[C@](C)(C[NH3+])C1 ZINC000630363040 364082072 /nfs/dbraw/zinc/08/20/72/364082072.db2.gz OHBCQVBKZMOVAC-GUDRVLHUSA-N 1 0 226.320 0.607 10 0 BCAERO CO[C@@H]1CN(C(=O)[C@H]2CCCO2)[C@@](C)(C[NH3+])C1 ZINC000630362804 364082451 /nfs/dbraw/zinc/08/24/51/364082451.db2.gz PXSKORZEZICCMY-HOSYDEDBSA-N 1 0 242.319 0.130 10 0 BCAERO C[C@H]([NH3+])[C@H](C)n1cc(S(C)(=O)=O)cn1 ZINC000725251755 541330997 /nfs/dbraw/zinc/33/09/97/541330997.db2.gz GMKKTWYTYIQXME-BQBZGAKWSA-N 1 0 217.294 0.195 10 0 BCAERO CO[C@@H]1CN(Cc2coc(C)n2)[C@@](C)(C[NH3+])C1 ZINC000630366775 364084958 /nfs/dbraw/zinc/08/49/58/364084958.db2.gz LPMMTIGMJIFQFF-NWDGAFQWSA-N 1 0 239.319 0.921 10 0 BCAERO CO[C@H]1CN(C(=O)C2CC2)[C@@](C)(C[NH3+])C1 ZINC000630366098 364083067 /nfs/dbraw/zinc/08/30/67/364083067.db2.gz ZMLQTLAHORWVHT-MWLCHTKSSA-N 1 0 212.293 0.361 10 0 BCAERO CO[C@@H]1CN(C(=O)NC(C)C)[C@](C)(C[NH3+])C1 ZINC000630366454 364086040 /nfs/dbraw/zinc/08/60/40/364086040.db2.gz KPSPMJRRQSIKQS-ONGXEEELSA-N 1 0 229.324 0.543 10 0 BCAERO CNC(=O)C[C@@H](C[NH3+])c1ccc2c(c1)CCO2 ZINC000725263632 541336501 /nfs/dbraw/zinc/33/65/01/541336501.db2.gz XDXLYYCLSWSKBD-NSHDSACASA-N 1 0 234.299 0.800 10 0 BCAERO CO[C@@H]1CN(C(=O)[C@H](C)C2CC2)[C@@](C)(C[NH3+])C1 ZINC000630372346 364088825 /nfs/dbraw/zinc/08/88/25/364088825.db2.gz WWLFXCYJJGJRAX-SUZMYJTESA-N 1 0 240.347 0.997 10 0 BCAERO COCCC(=O)NC[C@@H]1CCCCC[NH2+]1 ZINC000725268979 541338181 /nfs/dbraw/zinc/33/81/81/541338181.db2.gz AERCLNBOCJPHSW-JTQLQIEISA-N 1 0 214.309 0.671 10 0 BCAERO C[C@H]1C[NH2+]CC2(CCN(C(=O)C3CC3)CC2)O1 ZINC000725271253 541339760 /nfs/dbraw/zinc/33/97/60/541339760.db2.gz ATPXDBHJPJOLHQ-JTQLQIEISA-N 1 0 238.331 0.766 10 0 BCAERO [NH3+]CC1(C(=O)NC[C@@H]2CCC[C@@H]2O)CCCC1 ZINC000123026136 181359107 /nfs/dbraw/zinc/35/91/07/181359107.db2.gz FRLBAAKJLYFOSH-QWRGUYRKSA-N 1 0 240.347 0.783 10 0 BCAERO [NH3+]C1(CNc2ncc(F)cn2)CCOCC1 ZINC000630523713 364209908 /nfs/dbraw/zinc/20/99/08/364209908.db2.gz AVSFLIMZLRWSRF-UHFFFAOYSA-N 1 0 226.255 0.536 10 0 BCAERO CC[C@@H]1[NH2+]CC[C@H]1Nc1ccc2nccnc2n1 ZINC000630525830 364210699 /nfs/dbraw/zinc/21/06/99/364210699.db2.gz NOWWCNAFXPWDDR-VHSXEESVSA-N 1 0 243.314 0.951 10 0 BCAERO Cc1cnc(NCC2([NH3+])CCOCC2)nc1 ZINC000630524326 364211249 /nfs/dbraw/zinc/21/12/49/364211249.db2.gz LLVNIGXGDUWCGB-UHFFFAOYSA-N 1 0 222.292 0.705 10 0 BCAERO CCOc1cc(NCCOCC[NH2+]C)ncn1 ZINC000630529594 364217000 /nfs/dbraw/zinc/21/70/00/364217000.db2.gz AVUFZCSXTYBPRW-UHFFFAOYSA-N 1 0 240.307 0.523 10 0 BCAERO [NH3+]CC1(C(=O)NC[C@H]2CCCO2)CCOCC1 ZINC000044753129 181358632 /nfs/dbraw/zinc/35/86/32/181358632.db2.gz FUXIBIUFZXNIFQ-SNVBAGLBSA-N 1 0 242.319 0.037 10 0 BCAERO [NH3+]CC1(C(=O)NCC2CCC2)CCOCC1 ZINC000044762535 181358861 /nfs/dbraw/zinc/35/88/61/181358861.db2.gz MDYOFVHTGMNUPX-UHFFFAOYSA-N 1 0 226.320 0.658 10 0 BCAERO COc1cc(NCCOCCC[NH3+])ncn1 ZINC000630538380 364233225 /nfs/dbraw/zinc/23/32/25/364233225.db2.gz ZWSPISUZXZDLSG-UHFFFAOYSA-N 1 0 226.280 0.263 10 0 BCAERO Cc1nsc(N2C[C@H](C)[C@H](C[NH3+])C2)n1 ZINC000630553872 364249399 /nfs/dbraw/zinc/24/93/99/364249399.db2.gz MEDFDPJNSMMFCY-POYBYMJQSA-N 1 0 212.322 0.878 10 0 BCAERO [NH3+]CC1(C(=O)Nc2cnccn2)CCCC1 ZINC000044762954 181359569 /nfs/dbraw/zinc/35/95/69/181359569.db2.gz AIPLBYHVPFPINQ-UHFFFAOYSA-N 1 0 220.276 0.934 10 0 BCAERO Cc1cc(N2C[C@@H](C)[C@@H](C[NH3+])C2)n2ncnc2n1 ZINC000630570904 364265676 /nfs/dbraw/zinc/26/56/76/364265676.db2.gz MLNJAHCYKREGLD-SCZZXKLOSA-N 1 0 246.318 0.464 10 0 BCAERO Cc1cc(N2C[C@@H](C[NH3+])[C@H](C)C2)ncn1 ZINC000630575019 364273215 /nfs/dbraw/zinc/27/32/15/364273215.db2.gz WSIDHDODASSITC-PSASIEDQSA-N 1 0 206.293 0.816 10 0 BCAERO CNC(=O)CC[N@H+](C)C[C@@H](O)COC(C)(C)C ZINC000170820635 364359971 /nfs/dbraw/zinc/35/99/71/364359971.db2.gz SKHJGHBRZVZNCJ-SNVBAGLBSA-N 1 0 246.351 0.230 10 0 BCAERO COCC[N@H+](C)CCNC(=O)N[C@H]1C[C@@H]1C ZINC000170815466 364360300 /nfs/dbraw/zinc/36/03/00/364360300.db2.gz FFLYCDOXGMUUJJ-UWVGGRQHSA-N 1 0 229.324 0.272 10 0 BCAERO C[C@H]1OCC[C@@H]1[NH2+]CCCS(C)(=O)=O ZINC000134047624 364385607 /nfs/dbraw/zinc/38/56/07/364385607.db2.gz HTUAYLSPYASQQP-BDAKNGLRSA-N 1 0 221.322 0.188 10 0 BCAERO CCCNC(=O)[C@H](C)[NH2+][C@@H]1CCO[C@@H]1C ZINC000134383239 364401893 /nfs/dbraw/zinc/40/18/93/364401893.db2.gz BSAJRQFTLIVSQN-IVZWLZJFSA-N 1 0 214.309 0.668 10 0 BCAERO CCOC(=O)CC[NH2+][C@@H]1CCO[C@H]1C ZINC000134390385 364401994 /nfs/dbraw/zinc/40/19/94/364401994.db2.gz CLEVYBQLRJWOKP-DTWKUNHWSA-N 1 0 201.266 0.707 10 0 BCAERO [NH3+]CC1(c2nnc3n2CCC3)CCCC1 ZINC000083286444 181363421 /nfs/dbraw/zinc/36/34/21/181363421.db2.gz LKICUSBWDHJPGQ-UHFFFAOYSA-N 1 0 206.293 0.995 10 0 BCAERO [NH3+]CC1CCC(C(=O)N2CCOCC2)CC1 ZINC000055145154 181363851 /nfs/dbraw/zinc/36/38/51/181363851.db2.gz CQLZODTVEUHAKQ-UHFFFAOYSA-N 1 0 226.320 0.610 10 0 BCAERO CN(C)C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000136298435 364467822 /nfs/dbraw/zinc/46/78/22/364467822.db2.gz QJKYZMUITVQUSA-JTQLQIEISA-N 1 0 211.309 0.838 10 0 BCAERO CC(C)CNC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170861760 364533200 /nfs/dbraw/zinc/53/32/00/364533200.db2.gz SEDNUONGWIBTMN-JTQLQIEISA-N 1 0 213.325 0.988 10 0 BCAERO C[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCCOC2)C1 ZINC000170868625 364546705 /nfs/dbraw/zinc/54/67/05/364546705.db2.gz ZIYDKXNECICHBB-QWRGUYRKSA-N 1 0 226.320 0.576 10 0 BCAERO COCCC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170868398 364547002 /nfs/dbraw/zinc/54/70/02/364547002.db2.gz LOASJVORFYGVHR-VIFPVBQESA-N 1 0 200.282 0.185 10 0 BCAERO [NH3+]CCC(=O)N(CCO)Cc1ccccc1 ZINC000037809284 181366236 /nfs/dbraw/zinc/36/62/36/181366236.db2.gz JFCYPJZFJZMTKM-UHFFFAOYSA-N 1 0 222.288 0.356 10 0 BCAERO [NH3+]CC1CCN(C(=O)c2ccon2)CC1 ZINC000044587258 181365333 /nfs/dbraw/zinc/36/53/33/181365333.db2.gz VFYSFEYRKDCJFF-UHFFFAOYSA-N 1 0 209.249 0.486 10 0 BCAERO [NH3+]CC1CCN(CC(=O)c2nccs2)CC1 ZINC000095072689 181365372 /nfs/dbraw/zinc/36/53/72/181365372.db2.gz YHYKIAXDRRBDFQ-UHFFFAOYSA-N 1 0 239.344 0.997 10 0 BCAERO CC[C@@H](O)CN1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000246829071 364611033 /nfs/dbraw/zinc/61/10/33/364611033.db2.gz CROXCFRPUAOSNJ-IJLUTSLNSA-N 1 0 212.337 0.926 10 0 BCAERO [NH3+]CCC(=O)N[C@@H]1CCC[C@@H]1n1ccnc1 ZINC000037045771 181369091 /nfs/dbraw/zinc/36/90/91/181369091.db2.gz CQFBBYHOWJVWFK-ZJUUUORDSA-N 1 0 222.292 0.442 10 0 BCAERO [NH3+]CCC(=O)Nc1ccc(Cn2cnnc2)cc1 ZINC000058823317 181369108 /nfs/dbraw/zinc/36/91/08/181369108.db2.gz KLFTXWTVAZPMSZ-UHFFFAOYSA-N 1 0 245.286 0.614 10 0 BCAERO CC[C@@](C)(C[NH2+]C1CCN(CCO)CC1)OC ZINC000399004806 364692211 /nfs/dbraw/zinc/69/22/11/364692211.db2.gz WUFNREWYPYJAEE-ZDUSSCGKSA-N 1 0 244.379 0.848 10 0 BCAERO [NH3+]CCC(=O)Nc1nnc(C2CC2)s1 ZINC000031959037 181370329 /nfs/dbraw/zinc/37/03/29/181370329.db2.gz BBDXTRFVLZGYJO-UHFFFAOYSA-N 1 0 212.278 0.703 10 0 BCAERO NC(=O)c1ccccc1NC(=O)CC[NH3+] ZINC000011755189 181370395 /nfs/dbraw/zinc/37/03/95/181370395.db2.gz HQIKMUXCHCCUNA-UHFFFAOYSA-N 1 0 207.233 0.073 10 0 BCAERO CCc1nnc(CN2CC[C@H]([NH3+])C[C@H]2C)n1C ZINC000573503531 364849470 /nfs/dbraw/zinc/84/94/70/364849470.db2.gz XZXLXXHVYCUFEM-ZJUUUORDSA-N 1 0 237.351 0.689 10 0 BCAERO CCC1(O)CCN(C(=O)[C@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000573737629 364906283 /nfs/dbraw/zinc/90/62/83/364906283.db2.gz YEDWCECGMZSGLG-WDEREUQCSA-N 1 0 240.347 0.877 10 0 BCAERO [NH3+]CCCC(=O)N[C@H]1CCC[C@@H](O)C1 ZINC000037001084 181372623 /nfs/dbraw/zinc/37/26/23/181372623.db2.gz POBABAUBBJBGHH-DTWKUNHWSA-N 1 0 200.282 0.145 10 0 BCAERO Cc1nnc2n1C[C@H](C[NH2+]C(C)C)NC2 ZINC000685949224 541396501 /nfs/dbraw/zinc/39/65/01/541396501.db2.gz NMCDVHYWLINZGZ-VIFPVBQESA-N 1 0 209.297 0.056 10 0 BCAERO NC(=O)[C@H]1CCCN1C(=O)CCCCCC[NH3+] ZINC000020294838 181373311 /nfs/dbraw/zinc/37/33/11/181373311.db2.gz XKHLTWGTLBUTHT-SNVBAGLBSA-N 1 0 241.335 0.372 10 0 BCAERO [NH3+]CCCCCC(=O)NC1CCC(O)CC1 ZINC000019472251 181373329 /nfs/dbraw/zinc/37/33/29/181373329.db2.gz PVBZSYWTJNJVTR-UHFFFAOYSA-N 1 0 228.336 0.925 10 0 BCAERO [NH3+]CCCCCNC(=O)c1ccccn1 ZINC000070626807 181374995 /nfs/dbraw/zinc/37/49/95/181374995.db2.gz WCQVEJYSZAOVPI-UHFFFAOYSA-N 1 0 207.277 0.940 10 0 BCAERO [NH3+]CCCCCCSC[C@@H](O)CO ZINC000169315750 181375136 /nfs/dbraw/zinc/37/51/36/181375136.db2.gz WCSWGNMZYOWYJZ-VIFPVBQESA-N 1 0 207.339 0.592 10 0 BCAERO CC(C)CC(=O)N1CCC[C@@]([NH3+])(CO)C1 ZINC000669385115 541438547 /nfs/dbraw/zinc/43/85/47/541438547.db2.gz YYFXKKYGIHYAPQ-NSHDSACASA-N 1 0 214.309 0.345 10 0 BCAERO [NH3+]CCCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000051355117 181380146 /nfs/dbraw/zinc/38/01/46/181380146.db2.gz QYDHZHOXDAXTTH-DTORHVGOSA-N 1 0 210.277 0.510 10 0 BCAERO [NH3+]CCCN1C(=O)CC2(CCCC2)C1=O ZINC000051355124 181380095 /nfs/dbraw/zinc/38/00/95/181380095.db2.gz QYUSZVJGELZMFI-UHFFFAOYSA-N 1 0 210.277 0.655 10 0 BCAERO CCN(CC(=O)N(C)C)[C@H]1CCC[NH2+]CC1 ZINC000168804737 365012305 /nfs/dbraw/zinc/01/23/05/365012305.db2.gz JWPUBQHZDIALFK-NSHDSACASA-N 1 0 227.352 0.539 10 0 BCAERO CC1CC(C(=O)N2CC[C@H]3OCC[NH2+][C@H]3C2)C1 ZINC000574159264 364998132 /nfs/dbraw/zinc/99/81/32/364998132.db2.gz AEUHQCAVQZWVEA-MMVSWEMESA-N 1 0 238.331 0.622 10 0 BCAERO [NH3+]CCN1CCN(Cc2ccc(F)cc2)CC1 ZINC000019933495 181391873 /nfs/dbraw/zinc/39/18/73/181391873.db2.gz NLOHUBFPADBJGO-UHFFFAOYSA-N 1 0 237.322 0.902 10 0 BCAERO COC(=O)C1(C[NH3+])CC2(C1)CCOCC2 ZINC000083172091 541450676 /nfs/dbraw/zinc/45/06/76/541450676.db2.gz YKPSTTBOKOQJDW-UHFFFAOYSA-N 1 0 213.277 0.695 10 0 BCAERO [NH3+]CCN1CCCN(c2ccccn2)CC1 ZINC000037039481 181391992 /nfs/dbraw/zinc/39/19/92/181391992.db2.gz BCKYCLYLVMTWGG-UHFFFAOYSA-N 1 0 220.320 0.552 10 0 BCAERO [NH3+]CCCNC(=O)c1ccc2c[nH]nc2c1 ZINC000061670083 181382548 /nfs/dbraw/zinc/38/25/48/181382548.db2.gz VGCSYWRNSDSERJ-UHFFFAOYSA-N 1 0 218.260 0.642 10 0 BCAERO [NH3+]CCCS(=O)(=O)N1C[C@H]2CC[C@@H]1C2 ZINC000049716671 181384640 /nfs/dbraw/zinc/38/46/40/181384640.db2.gz CIVCQNKRKPBRAW-DTWKUNHWSA-N 1 0 218.322 0.149 10 0 BCAERO Nc1ccccc1-c1n[nH]c(CCC[NH3+])n1 ZINC000072236580 181387090 /nfs/dbraw/zinc/38/70/90/181387090.db2.gz MUOWCSBYDURVNF-UHFFFAOYSA-N 1 0 217.276 0.945 10 0 BCAERO [NH3+]CCN(C(=O)[C@@H]1COCCO1)C1CCCC1 ZINC000070943551 181390075 /nfs/dbraw/zinc/39/00/75/181390075.db2.gz LOOIOSKOOQZODH-NSHDSACASA-N 1 0 242.319 0.132 10 0 BCAERO [NH3+]CCN(C1CC1)[C@H]1CCCCNC1=O ZINC000041057029 181390687 /nfs/dbraw/zinc/39/06/87/181390687.db2.gz OTZVVZNAFBGLSF-JTQLQIEISA-N 1 0 211.309 0.078 10 0 BCAERO [NH3+]CCCn1nnc2ccccc2c1=O ZINC000032501156 181390969 /nfs/dbraw/zinc/39/09/69/181390969.db2.gz JYUJJKLPUXQEGH-UHFFFAOYSA-N 1 0 204.233 0.140 10 0 BCAERO [NH3+]CCCn1nnnc1Cc1ccccc1F ZINC000049671489 181391007 /nfs/dbraw/zinc/39/10/07/181391007.db2.gz OIYITQAVKWZMSX-UHFFFAOYSA-N 1 0 235.266 0.752 10 0 BCAERO [NH3+]CCNC(=O)c1ccc(F)c(F)c1F ZINC000020224032 181395401 /nfs/dbraw/zinc/39/54/01/181395401.db2.gz XMJCYYFNLDJQCD-UHFFFAOYSA-N 1 0 218.178 0.792 10 0 BCAERO Nc1cc2c(cc1NCC[NH3+])CCC(=O)N2 ZINC000052815333 181397370 /nfs/dbraw/zinc/39/73/70/181397370.db2.gz NTVJVGOOFCTBEE-UHFFFAOYSA-N 1 0 220.276 0.524 10 0 BCAERO [NH3+]CCOCCn1c2ccccc2oc1=O ZINC000074402087 181399498 /nfs/dbraw/zinc/39/94/98/181399498.db2.gz RFJPPLBSNOVSGF-UHFFFAOYSA-N 1 0 222.244 0.570 10 0 BCAERO [NH3+]CCS(=O)(=O)N(Cc1ccco1)C1CC1 ZINC000032101719 181399980 /nfs/dbraw/zinc/39/99/80/181399980.db2.gz WEASDCLGOONACT-UHFFFAOYSA-N 1 0 244.316 0.533 10 0 BCAERO C[NH2+][C@H](C)C(=O)NC[C@@]1(C)CCCO1 ZINC000087253813 365128212 /nfs/dbraw/zinc/12/82/12/365128212.db2.gz WECQVVSULIOAQB-PSASIEDQSA-N 1 0 200.282 0.280 10 0 BCAERO C[C@H]1COC[C@H](C)N1C(=O)CC[NH2+]C1CC1 ZINC000574770236 365141086 /nfs/dbraw/zinc/14/10/86/365141086.db2.gz HOGDHMOYPKHWRQ-UWVGGRQHSA-N 1 0 226.320 0.764 10 0 BCAERO [NH3+]CCc1ccc(N2C(=O)CCC2=O)cc1 ZINC000051601127 181412146 /nfs/dbraw/zinc/41/21/46/181412146.db2.gz XZLRSBQJAWAJMQ-UHFFFAOYSA-N 1 0 218.256 0.841 10 0 BCAERO [NH3+]CCc1nn2c(nnc2-c2cccnc2)s1 ZINC000020391851 181414307 /nfs/dbraw/zinc/41/43/07/181414307.db2.gz OGKOHKNEQWPRLN-UHFFFAOYSA-N 1 0 246.299 0.749 10 0 BCAERO NC(=O)[C@H]1CCCN1[C@@H](C[NH3+])c1cccs1 ZINC000043103203 181426106 /nfs/dbraw/zinc/42/61/06/181426106.db2.gz OGSJVLCHOQRMKJ-BDAKNGLRSA-N 1 0 239.344 0.698 10 0 BCAERO C[C@H]1C[N@H+](CCN2C(=O)CCC2=O)CCS1 ZINC000171691385 365227285 /nfs/dbraw/zinc/22/72/85/365227285.db2.gz DWBHXTXCZXKODF-VIFPVBQESA-N 1 0 242.344 0.573 10 0 BCAERO COC[C@@H](C)C(=O)N(C)C1CC[NH+](C)CC1 ZINC000171520197 365209807 /nfs/dbraw/zinc/20/98/07/365209807.db2.gz YILBLKNXCQNFHI-SNVBAGLBSA-N 1 0 228.336 0.822 10 0 BCAERO [NH3+]CCc1cc(=O)[nH]c(-c2cccs2)n1 ZINC000058055815 181411551 /nfs/dbraw/zinc/41/15/51/181411551.db2.gz KFPHABUFQYUTMY-UHFFFAOYSA-N 1 0 221.285 1.000 10 0 BCAERO CC1(C)S[C@@H]2[C@@H]([NH3+])C(=O)N2[C@@H]1C(F)(F)F ZINC000675060651 541464075 /nfs/dbraw/zinc/46/40/75/541464075.db2.gz KOZOQGVBNUAMAT-LFRDXLMFSA-N 1 0 240.250 0.938 10 0 BCAERO CCc1nc2n(n1)[C@H]1CC[NH2+]C[C@H]1CN2 ZINC000234208131 541512013 /nfs/dbraw/zinc/51/20/13/541512013.db2.gz LOVFHRJTNHHBDK-YUMQZZPRSA-N 1 0 207.281 0.417 10 0 BCAERO CCc1cn2c(n1)ncc1c2CC[NH2+]C1 ZINC000234203110 541512362 /nfs/dbraw/zinc/51/23/62/541512362.db2.gz LUPIHOSVHVNIRN-UHFFFAOYSA-N 1 0 202.261 0.937 10 0 BCAERO C[C@@H]([NH3+])CCNC(=O)[C@H]1CC12CCOCC2 ZINC000579711176 366988271 /nfs/dbraw/zinc/98/82/71/366988271.db2.gz HYNJAVRXECHYHB-NXEZZACHSA-N 1 0 226.320 0.657 10 0 BCAERO CO[C@H]1C[NH2+][C@@H](C(=O)N2CCC3(CCC3)C2)C1 ZINC000380547206 367239020 /nfs/dbraw/zinc/23/90/20/367239020.db2.gz XJZWDNXFDAWNBL-GHMZBOCLSA-N 1 0 238.331 0.766 10 0 BCAERO C[C@@H]1OCCN(C(=O)C2([NH3+])CCOCC2)[C@H]1C ZINC000380557998 367242644 /nfs/dbraw/zinc/24/26/44/367242644.db2.gz JRONMFNHPWCTTK-UWVGGRQHSA-N 1 0 242.319 0.130 10 0 BCAERO Cc1ncc(CN2CCO[C@@H]3C[NH2+]C[C@@H]32)s1 ZINC000581073507 367253972 /nfs/dbraw/zinc/25/39/72/367253972.db2.gz DVLVAPXNGWIPEL-WDEREUQCSA-N 1 0 239.344 0.624 10 0 BCAERO C[C@@H]1C[C@@H]1C[N@@H+]1CC[C@H]2OCCN[C@@H]2C1 ZINC000381572142 367431330 /nfs/dbraw/zinc/43/13/30/367431330.db2.gz XUNDCHDTARYPPS-DDHJBXDOSA-N 1 0 210.321 0.705 10 0 BCAERO C[C@@H](Nc1ncccc1S(C)(=O)=O)[C@H](C)[NH3+] ZINC000381603116 367435818 /nfs/dbraw/zinc/43/58/18/367435818.db2.gz NNNPJWLZVQLQQV-JGVFFNPUSA-N 1 0 243.332 0.633 10 0 BCAERO O=C1NC[C@@H](C[NH2+][C@H](CO)c2ccsc2)O1 ZINC000381792657 367458343 /nfs/dbraw/zinc/45/83/43/367458343.db2.gz ANNJDAVFQLQAGJ-RKDXNWHRSA-N 1 0 242.300 0.480 10 0 BCAERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1O ZINC000384251561 367680263 /nfs/dbraw/zinc/68/02/63/367680263.db2.gz MMNGVZZOOMJKRA-IRCOFANPSA-N 1 0 240.347 0.794 10 0 BCAERO COCC(COC)[NH2+][C@@H]1CCCC[C@H]1O ZINC000384850536 367742574 /nfs/dbraw/zinc/74/25/74/367742574.db2.gz LHQZLSLTTWLCAT-GHMZBOCLSA-N 1 0 217.309 0.541 10 0 BCAERO C[C@@H]1[C@@H](O)CCC[N@@H+]1C[C@H](O)C(F)(F)F ZINC000384864313 367746010 /nfs/dbraw/zinc/74/60/10/367746010.db2.gz NNCWEODVFQFKMM-CSMHCCOUSA-N 1 0 227.226 0.755 10 0 BCAERO C[C@H]1[C@@H](O)CCC[N@@H+]1CCCCCO ZINC000384901884 367754030 /nfs/dbraw/zinc/75/40/30/367754030.db2.gz OAZQYIVKXUJGHM-QWRGUYRKSA-N 1 0 201.310 0.994 10 0 BCAERO CC(C)OC[C@H](O)C[N@@H+]1CCC[C@@H](O)[C@@H]1C ZINC000384974733 367768837 /nfs/dbraw/zinc/76/88/37/367768837.db2.gz ITNRQRMQIPEHPW-QJPTWQEYSA-N 1 0 231.336 0.618 10 0 BCAERO C[C@@H]1C[C@H]([NH2+]C[C@H]2CN(C)CCO2)[C@H](C)O1 ZINC000384685254 367716507 /nfs/dbraw/zinc/71/65/07/367716507.db2.gz BJFOTSUENLSQKS-RHYQMDGZSA-N 1 0 228.336 0.473 10 0 BCAERO C[C@H](O)CCN[C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000386179590 367926132 /nfs/dbraw/zinc/92/61/32/367926132.db2.gz XXEOGSLNVWVZLA-DCAQKATOSA-N 1 0 200.326 0.878 10 0 BCAERO C[C@@H](NCC[C@H](C)O)[C@H]1CCCC[NH2+]1 ZINC000386179592 367926225 /nfs/dbraw/zinc/92/62/25/367926225.db2.gz XXEOGSLNVWVZLA-HBNTYKKESA-N 1 0 200.326 0.878 10 0 BCAERO C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H](CCO)C2)C1 ZINC000386224692 367933461 /nfs/dbraw/zinc/93/34/61/367933461.db2.gz KRBXCRAFOQFVSS-QWRGUYRKSA-N 1 0 226.320 0.169 10 0 BCAERO C[C@H](NC[C@H]1CN(C)CCO1)[C@@H]1CCCC[NH2+]1 ZINC000386492968 367980222 /nfs/dbraw/zinc/98/02/22/367980222.db2.gz URLAFSQEUDZZST-AVGNSLFASA-N 1 0 241.379 0.437 10 0 BCAERO CC[C@@H]([NH2+]Cc1c(C)nn(C)c1OC)[C@H](C)O ZINC000386886976 368031697 /nfs/dbraw/zinc/03/16/97/368031697.db2.gz MZENEEHDCVNTBF-GXSJLCMTSA-N 1 0 241.335 0.986 10 0 BCAERO C[C@H](CO)[N@H+](C)[C@@H]1CCCCC[C@H]1O ZINC000252806136 368159424 /nfs/dbraw/zinc/15/94/24/368159424.db2.gz GREDTCPIRZYZEC-GMTAPVOTSA-N 1 0 201.310 0.993 10 0 BCAERO C[C@@H]1C[S@](=O)C[C@H]([C@H]2CCOC2)[NH2+]1 ZINC000252831204 368161339 /nfs/dbraw/zinc/16/13/39/368161339.db2.gz MDRFDXJCYAQKBE-VXFNFUGZSA-N 1 0 203.307 0.132 10 0 BCAERO CC(C)(C)n1nnnc1C1CC[NH2+]CC1 ZINC000215007886 368139189 /nfs/dbraw/zinc/13/91/89/368139189.db2.gz KYZUNEQSXFNWHZ-UHFFFAOYSA-N 1 0 209.297 0.895 10 0 BCAERO CCC[C@](C)(NC(=O)[C@@H](C)[NH2+]C)C(=O)OC ZINC000582013468 368153765 /nfs/dbraw/zinc/15/37/65/368153765.db2.gz NEPYMOZIARRLGM-KCJUWKMLSA-N 1 0 230.308 0.442 10 0 BCAERO CCOc1nccnc1N1CCC[NH2+]CC1 ZINC000080028862 368467094 /nfs/dbraw/zinc/46/70/94/368467094.db2.gz QBOCTBNYPIOXQK-UHFFFAOYSA-N 1 0 222.292 0.675 10 0 BCAERO C[C@@H]1C[N@H+](CCC(N)=S)CC[C@H]1O ZINC000253196891 368613148 /nfs/dbraw/zinc/61/31/48/368613148.db2.gz RMMVVRSWKORWLD-HTQZYQBOSA-N 1 0 202.323 0.365 10 0 BCAERO CC[C@](C)(O)C[NH+]1C[C@@H](C)N[C@H](C)C1 ZINC000253245747 368899456 /nfs/dbraw/zinc/89/94/56/368899456.db2.gz GJPXJBFLSUWGAW-MXWKQRLJSA-N 1 0 200.326 0.830 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)O1 ZINC000088142214 368905436 /nfs/dbraw/zinc/90/54/36/368905436.db2.gz CNIREJQGOJBKEM-CHWFTXMASA-N 1 0 224.304 0.232 10 0 BCAERO c1cnc(-c2ccc(N3CC[NH2+]CC3)nc2)nc1 ZINC000115478600 368996138 /nfs/dbraw/zinc/99/61/38/368996138.db2.gz OMWHZLPLZPUSKY-UHFFFAOYSA-N 1 0 241.298 0.948 10 0 BCAERO C[C@@H](CO)[NH2+][C@H]1C2CCN(CC2)C12CC2 ZINC000616578654 369095147 /nfs/dbraw/zinc/09/51/47/369095147.db2.gz PAMZZMWPSWLFCZ-ONGXEEELSA-N 1 0 210.321 0.584 10 0 BCAERO C[NH2+][C@H](C)C(=O)N1C[C@H](C)OC[C@H]1C ZINC000054072280 369054485 /nfs/dbraw/zinc/05/44/85/369054485.db2.gz CAYCFDGBOKLZNT-HRDYMLBCSA-N 1 0 200.282 0.230 10 0 BCAERO C[C@H]1CN(Cc2cn3cccnc3n2)C[C@H]1C[NH3+] ZINC000631838858 369121914 /nfs/dbraw/zinc/12/19/14/369121914.db2.gz WDZBWDQVFDXGQC-WDEREUQCSA-N 1 0 245.330 0.756 10 0 BCAERO [NH3+]CCN1CCCO[C@H](c2ncc[nH]2)C1 ZINC000616678621 369111161 /nfs/dbraw/zinc/11/11/61/369111161.db2.gz KRLVAFFMBFSKMS-VIFPVBQESA-N 1 0 210.281 0.132 10 0 BCAERO [NH3+]CCN1C[C@@H](CCO)Nc2ccccc21 ZINC000616692037 369114695 /nfs/dbraw/zinc/11/46/95/369114695.db2.gz JLSVTQZVUFBGQZ-SNVBAGLBSA-N 1 0 221.304 0.628 10 0 BCAERO [NH3+]C[C@]1(N2CCOCC2)CCCSC1 ZINC000061589833 181470176 /nfs/dbraw/zinc/47/01/76/181470176.db2.gz UFAKDFKTHKFMEX-SNVBAGLBSA-N 1 0 216.350 0.543 10 0 BCAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)NC[C@@H]1CCCO1 ZINC000084308960 181461809 /nfs/dbraw/zinc/46/18/09/181461809.db2.gz OIDAWEMTAWZJLU-OUAUKWLOSA-N 1 0 226.320 0.657 10 0 BCAERO [NH3+]C[C@H]1CCC[C@@H]1NS(=O)(=O)C1CC1 ZINC000070907015 181462578 /nfs/dbraw/zinc/46/25/78/181462578.db2.gz FTMUCNRWCNSGPQ-APPZFPTMSA-N 1 0 218.322 0.196 10 0 BCAERO [NH3+]C[C@H]1CCC[C@H]1NC(=O)c1cn[nH]c1 ZINC000062775177 181463177 /nfs/dbraw/zinc/46/31/77/181463177.db2.gz WQANBSOZFYDIRX-VXNVDRBHSA-N 1 0 208.265 0.267 10 0 BCAERO COC[C@H](C)C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000108328112 369387968 /nfs/dbraw/zinc/38/79/68/369387968.db2.gz KQHIUEQMMUHALB-WDEREUQCSA-N 1 0 228.336 0.727 10 0 BCAERO COC(=O)[C@@H]1CCCC[N@@H+]1C[C@H]1CNC(=O)C1 ZINC000400146803 369342942 /nfs/dbraw/zinc/34/29/42/369342942.db2.gz ZLFHZKRKDSXJKJ-ZJUUUORDSA-N 1 0 240.303 0.150 10 0 BCAERO COc1ccc(C[NH2+][C@H]2CCOC[C@@H]2O)cn1 ZINC000623767022 369345174 /nfs/dbraw/zinc/34/51/74/369345174.db2.gz OXIAHLGBDPYRBB-QWRGUYRKSA-N 1 0 238.287 0.330 10 0 BCAERO OC1(C[NH2+]CCC[C@@H]2CCOC2)CCOCC1 ZINC000400534493 369350758 /nfs/dbraw/zinc/35/07/58/369350758.db2.gz ARXFHEXKWOGSPG-GFCCVEGCSA-N 1 0 243.347 0.934 10 0 BCAERO CC(C)C[NH2+][C@H]1CCCN(CCO)C1 ZINC000108064660 369374491 /nfs/dbraw/zinc/37/44/91/369374491.db2.gz OAYNPSFYVJZZLK-NSHDSACASA-N 1 0 200.326 0.689 10 0 BCAERO C[C@@H]1C[C@H](NC(=O)[C@@H]2CCC[C@H]([NH3+])C2)CO1 ZINC000402036610 369376809 /nfs/dbraw/zinc/37/68/09/369376809.db2.gz GWBKDHMINQHRGF-ZNSHCXBVSA-N 1 0 226.320 0.798 10 0 BCAERO FCCCN1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC000404006327 369417765 /nfs/dbraw/zinc/41/77/65/369417765.db2.gz OLGGBQAIVOQJFP-UWVGGRQHSA-N 1 0 202.273 0.409 10 0 BCAERO FCCCN1CC[C@H]2OCC[NH2+][C@H]2C1 ZINC000404006328 369417823 /nfs/dbraw/zinc/41/78/23/369417823.db2.gz OLGGBQAIVOQJFP-VHSXEESVSA-N 1 0 202.273 0.409 10 0 BCAERO c1cnc(N2CC[C@H]3OCC[NH2+][C@@H]3C2)cn1 ZINC000404081401 369419149 /nfs/dbraw/zinc/41/91/49/369419149.db2.gz SMKWZMUPAQQZKG-NXEZZACHSA-N 1 0 220.276 0.044 10 0 BCAERO c1ncc(CN2CC[C@@H]3OCC[NH2+][C@H]3C2)s1 ZINC000404191255 369422506 /nfs/dbraw/zinc/42/25/06/369422506.db2.gz LEOHHCJFWXPTPK-QWRGUYRKSA-N 1 0 239.344 0.706 10 0 BCAERO CCOC(=O)[C@H](C)N1CC[C@H]2OCC[NH2+][C@@H]2C1 ZINC000404244411 369423703 /nfs/dbraw/zinc/42/37/03/369423703.db2.gz ZGONAJYNBDAQSB-HBNTYKKESA-N 1 0 242.319 0.001 10 0 BCAERO C[NH2+][C@H](C)C(=O)N(C)CC(C)(C)OC ZINC000404301185 369425190 /nfs/dbraw/zinc/42/51/90/369425190.db2.gz NLTBPZPLPNJDFO-MRVPVSSYSA-N 1 0 202.298 0.478 10 0 BCAERO Cc1ncccc1CN1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC000404283612 369425367 /nfs/dbraw/zinc/42/53/67/369425367.db2.gz WNTZEVORXZOADH-KBPBESRZSA-N 1 0 247.342 0.953 10 0 BCAERO CCn1c(C)nnc1CN1C[C@H]([NH3+])C[C@@H]1C ZINC000631860414 369467896 /nfs/dbraw/zinc/46/78/96/369467896.db2.gz KDHBHVPBAUFDPI-WCBMZHEXSA-N 1 0 223.324 0.528 10 0 BCAERO Cc1ccc(CN2CC[C@@H]3OCC[NH2+][C@@H]3C2)cn1 ZINC000405736200 369475037 /nfs/dbraw/zinc/47/50/37/369475037.db2.gz YREXMIWTFVWEPH-KGLIPLIRSA-N 1 0 247.342 0.953 10 0 BCAERO COC(=O)[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000082257926 370976040 /nfs/dbraw/zinc/97/60/40/370976040.db2.gz NGMDGIAZFNRFDD-ZJUUUORDSA-N 1 0 240.303 0.150 10 0 BCAERO [NH3+]Cc1ccc(C(=O)NC[C@H](O)C2CC2)cc1 ZINC000071308321 181481420 /nfs/dbraw/zinc/48/14/20/181481420.db2.gz YTBYPPYNXJEBMF-LBPRGKRZSA-N 1 0 234.299 0.646 10 0 BCAERO CCS(=O)(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]12 ZINC000225271738 369537582 /nfs/dbraw/zinc/53/75/82/369537582.db2.gz LFIISFBLUVVYPL-BDAKNGLRSA-N 1 0 218.322 0.162 10 0 BCAERO C[C@H](Cc1ccccc1)[NH2+]C[C@H](O)CO ZINC000062186591 369981254 /nfs/dbraw/zinc/98/12/54/369981254.db2.gz DNSFGWHXSSHUKJ-PWSUYJOCSA-N 1 0 209.289 0.560 10 0 BCAERO CCN1CC[C@H]([NH2+]C[C@@H](O)CC(F)(F)F)C1 ZINC000307948921 370069259 /nfs/dbraw/zinc/06/92/59/370069259.db2.gz PMWMSTVVDGRBKJ-IUCAKERBSA-N 1 0 240.269 0.984 10 0 BCAERO C[C@@H]([NH3+])Cn1nncc1Br ZINC000215240571 370170548 /nfs/dbraw/zinc/17/05/48/370170548.db2.gz ACEJPJUALWMUAP-SCSAIBSYSA-N 1 0 205.059 0.388 10 0 BCAERO C[C@@H]([NH3+])c1c(Br)nnn1C ZINC000215240328 370170826 /nfs/dbraw/zinc/17/08/26/370170826.db2.gz WSKGLMLYRNKSQX-GSVOUGTGSA-N 1 0 205.059 0.597 10 0 BCAERO O[C@H]1COCC[C@H]1[NH2+]Cc1ccncc1Cl ZINC000623768384 370255765 /nfs/dbraw/zinc/25/57/65/370255765.db2.gz USIXYPUZEYPLFZ-MNOVXSKESA-N 1 0 242.706 0.974 10 0 BCAERO CC[C@H](NC(=O)[C@H]1CCC[C@H]1C[NH3+])C(=O)OC ZINC000310086003 370297961 /nfs/dbraw/zinc/29/79/61/370297961.db2.gz AQGHJDYWUZUEGO-GUBZILKMSA-N 1 0 242.319 0.429 10 0 BCAERO COC(=O)c1ccc(N2CC[NH+](C)CC2)cn1 ZINC000113033293 370372527 /nfs/dbraw/zinc/37/25/27/370372527.db2.gz MHAUJNMKFSNOKK-UHFFFAOYSA-N 1 0 235.287 0.620 10 0 BCAERO CC1CC(CNC(=O)C2(C[NH3+])CCOCC2)C1 ZINC000621676545 370428026 /nfs/dbraw/zinc/42/80/26/370428026.db2.gz RYTUFTUVJBVAJQ-UHFFFAOYSA-N 1 0 240.347 0.904 10 0 BCAERO CCN1CCO[C@H](C[NH2+]Cc2ccncc2)C1 ZINC000113266809 370396880 /nfs/dbraw/zinc/39/68/80/370396880.db2.gz NBPWNQWJJGQLKS-CYBMUJFWSA-N 1 0 235.331 0.892 10 0 BCAERO Cc1cc(CN2CCO[C@@H]3C[NH2+]C[C@@H]32)ccn1 ZINC000621776149 370524623 /nfs/dbraw/zinc/52/46/23/370524623.db2.gz CZHIMKNQRQKMMB-QWHCGFSZSA-N 1 0 233.315 0.563 10 0 BCAERO Cc1noc([C@@]23COC[C@@H]2C[N@@H+](C(C)C)C3)n1 ZINC000248015225 259546173 /nfs/dbraw/zinc/54/61/73/259546173.db2.gz KHXIWDLZKKJLHA-JQWIXIFHSA-N 1 0 237.303 0.986 10 0 BCAERO CCc1nnc(CN2CC[C@@H]([NH3+])[C@@H](C)C2)n1C ZINC000568512304 326361625 /nfs/dbraw/zinc/36/16/25/326361625.db2.gz WBWIGOATJXECDD-VHSXEESVSA-N 1 0 237.351 0.547 10 0 BCAERO C[C@@H](O)CCNC(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000082995819 371058844 /nfs/dbraw/zinc/05/88/44/371058844.db2.gz CREOWYABIAEDHX-MNOVXSKESA-N 1 0 228.336 0.653 10 0 BCAERO O[C@@H]1COCC[C@@H]1[NH2+]Cc1ccccn1 ZINC000623764255 371085970 /nfs/dbraw/zinc/08/59/70/371085970.db2.gz AVDDGRMCMSJHQZ-WDEREUQCSA-N 1 0 208.261 0.321 10 0 BCAERO Cc1nc(C[NH2+][C@H]2CCOC[C@H]2O)cs1 ZINC000623765261 371086029 /nfs/dbraw/zinc/08/60/29/371086029.db2.gz PYNOEDIJSJSMDA-VHSXEESVSA-N 1 0 228.317 0.691 10 0 BCAERO Cc1nc(C[NH2+][C@@H]2CCOC[C@@H]2O)cs1 ZINC000623765262 371086234 /nfs/dbraw/zinc/08/62/34/371086234.db2.gz PYNOEDIJSJSMDA-ZJUUUORDSA-N 1 0 228.317 0.691 10 0 BCAERO COC(=O)c1ccc(N2CC[C@@H](C[NH3+])C2)nc1C ZINC000124433279 371190260 /nfs/dbraw/zinc/19/02/60/371190260.db2.gz BYSTVVXISNIQKE-JTQLQIEISA-N 1 0 249.314 0.962 10 0 BCAERO N#Cc1cccc(NC[C@@H]2C[NH2+]CCCO2)n1 ZINC000389807673 371175426 /nfs/dbraw/zinc/17/54/26/371175426.db2.gz LTSMXHBADIIHHS-NSHDSACASA-N 1 0 232.287 0.744 10 0 BCAERO [NH3+][C@@H]1CCC[C@@H](C(=O)NCc2cn[nH]c2)C1 ZINC000070502844 181578934 /nfs/dbraw/zinc/57/89/34/181578934.db2.gz OJXJSQLHHMLFMW-NXEZZACHSA-N 1 0 222.292 0.543 10 0 BCAERO [NH3+][C@@H]1CCC[C@@H](C(=O)N2CCC(CO)CC2)C1 ZINC000055086540 181579134 /nfs/dbraw/zinc/57/91/34/181579134.db2.gz MBERTJYIEYAXOK-VXGBXAGGSA-N 1 0 240.347 0.735 10 0 BCAERO [NH3+][C@@H]1CCC[C@@H]1Nc1nnnn1-c1ccccc1 ZINC000063176800 181582033 /nfs/dbraw/zinc/58/20/33/181582033.db2.gz NFIOHZMPNRLTID-MNOVXSKESA-N 1 0 244.302 0.954 10 0 BCAERO [NH3+][C@@H]1CC[C@H](C(=O)Nc2ccnc3ccnn32)C1 ZINC000237966394 181593218 /nfs/dbraw/zinc/59/32/18/181593218.db2.gz GYAJDQRXKYNOJE-DTWKUNHWSA-N 1 0 245.286 0.795 10 0 BCAERO [NH3+][C@H]1CCCN(CCO[C@@H]2CCCCO2)C1 ZINC000042188333 181643497 /nfs/dbraw/zinc/64/34/97/181643497.db2.gz BDAQYMXTRHAICD-NWDGAFQWSA-N 1 0 228.336 0.953 10 0 BCAERO C[C@H]([NH2+][C@H]1CCOC[C@H]1O)c1cnn(C)c1 ZINC000624236827 371421999 /nfs/dbraw/zinc/42/19/99/371421999.db2.gz KNKMLVDLHHZFGP-INTQDDNPSA-N 1 0 225.292 0.221 10 0 BCAERO COCC[C@H](C)[NH2+][C@H]1CCOC[C@H]1O ZINC000624236427 371423926 /nfs/dbraw/zinc/42/39/26/371423926.db2.gz CEHWDUMDNISOPC-LPEHRKFASA-N 1 0 203.282 0.151 10 0 BCAERO C[C@@H]1C[C@H]([NH2+][C@H]2CCOC[C@@H]2O)CN1C1CC1 ZINC000624237272 371424778 /nfs/dbraw/zinc/42/47/78/371424778.db2.gz TVUURINJQVKRPU-URBCHYCLSA-N 1 0 240.347 0.351 10 0 BCAERO C[C@@H]1C[C@H]([NH2+][C@H]2CCOC[C@H]2O)CCN1C ZINC000624236640 371424860 /nfs/dbraw/zinc/42/48/60/371424860.db2.gz HEHSZGVQWXEMCX-WISYIIOYSA-N 1 0 228.336 0.209 10 0 BCAERO Cc1nn(C)cc1[C@H](C)[NH2+][C@@H]1CCOC[C@@H]1O ZINC000624236981 371424879 /nfs/dbraw/zinc/42/48/79/371424879.db2.gz NNENUCUTXKLHOJ-AXTRIDKLSA-N 1 0 239.319 0.529 10 0 BCAERO CCO[C@@H]1C[C@H]([NH2+][C@H]2CCOC[C@@H]2O)C1(C)C ZINC000624237478 371424897 /nfs/dbraw/zinc/42/48/97/371424897.db2.gz YPQJHBMBDNMZSQ-FIQHERPVSA-N 1 0 243.347 0.929 10 0 BCAERO Cc1nn(C)cc1[C@H](C)[NH2+][C@H]1CCOC[C@H]1O ZINC000624236982 371424951 /nfs/dbraw/zinc/42/49/51/371424951.db2.gz NNENUCUTXKLHOJ-KPXOXKRLSA-N 1 0 239.319 0.529 10 0 BCAERO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCOC[C@@H]2O)C1(C)C ZINC000624237479 371425049 /nfs/dbraw/zinc/42/50/49/371425049.db2.gz YPQJHBMBDNMZSQ-NOOOWODRSA-N 1 0 243.347 0.929 10 0 BCAERO C[C@H]([NH2+][C@H]1CCOC[C@@H]1O)c1ccnn1C ZINC000624237927 371426141 /nfs/dbraw/zinc/42/61/41/371426141.db2.gz HGMFIACMFUNTJG-QXEWZRGKSA-N 1 0 225.292 0.221 10 0 BCAERO CO[C@@H]1CCC[C@H]([NH2+][C@H]2CCOC[C@H]2O)C1 ZINC000624237727 371426224 /nfs/dbraw/zinc/42/62/24/371426224.db2.gz CDWGHRMUUWCNHE-WHOHXGKFSA-N 1 0 229.320 0.683 10 0 BCAERO CCN1C(=O)C[C@@H]([NH3+])[C@H]1c1nccs1 ZINC000161697847 371553219 /nfs/dbraw/zinc/55/32/19/371553219.db2.gz OZCNMHLRESYLPF-SVRRBLITSA-N 1 0 211.290 0.764 10 0 BCAERO COC(=O)[C@H]1CCC[N@@H+]([C@H]2CCOC2)C1 ZINC000131081425 371554804 /nfs/dbraw/zinc/55/48/04/371554804.db2.gz DNJFYKADNNYCPF-UWVGGRQHSA-N 1 0 213.277 0.660 10 0 BCAERO CCOc1ccccc1OC[C@@H](O)C[NH3+] ZINC000008029012 371619544 /nfs/dbraw/zinc/61/95/44/371619544.db2.gz VXKWVOPELVBBFB-VIFPVBQESA-N 1 0 211.261 0.784 10 0 BCAERO C[NH2+][C@@H]1CCN(Cc2cncs2)C1=O ZINC000131556509 371623395 /nfs/dbraw/zinc/62/33/95/371623395.db2.gz DYMMWLHUICJHCB-MRVPVSSYSA-N 1 0 211.290 0.463 10 0 BCAERO C[NH2+]CCc1c(Br)nnn1C ZINC000216016372 371679043 /nfs/dbraw/zinc/67/90/43/371679043.db2.gz KXLHWTXEQCFHTQ-UHFFFAOYSA-N 1 0 219.086 0.340 10 0 BCAERO [NH3+]C[C@@H]([C@H]1CCSC1)N1CCOCC1 ZINC000215875229 371650481 /nfs/dbraw/zinc/65/04/81/371650481.db2.gz QBFHPLIXSRFREU-UWVGGRQHSA-N 1 0 216.350 0.399 10 0 BCAERO [NH3+]C[C@@H]1CC[C@@H](C(=O)c2cnccn2)O1 ZINC000226647846 371715091 /nfs/dbraw/zinc/71/50/91/371715091.db2.gz PFUABCRAKKPXAM-CBAPKCEASA-N 1 0 207.233 0.166 10 0 BCAERO C[C@H]1[NH2+]CC[C@H]1C(=O)Cc1ccn(C)n1 ZINC000226685880 371722809 /nfs/dbraw/zinc/72/28/09/371722809.db2.gz WNJGLTDVVILRQF-PSASIEDQSA-N 1 0 207.277 0.530 10 0 BCAERO CS(=O)(=O)N1CCCCC[C@@H]1CC[NH3+] ZINC000216223076 371723082 /nfs/dbraw/zinc/72/30/82/371723082.db2.gz GPFILXPNVMNYRY-SECBINFHSA-N 1 0 220.338 0.539 10 0 BCAERO CS(=O)(=O)N1CCCC[C@H](CC[NH3+])C1 ZINC000216221664 371723094 /nfs/dbraw/zinc/72/30/94/371723094.db2.gz HIEQDZQIIPGUOJ-SECBINFHSA-N 1 0 220.338 0.397 10 0 BCAERO C[C@H]([NH3+])C[C@H]1CCCCN1S(C)(=O)=O ZINC000216236050 371724473 /nfs/dbraw/zinc/72/44/73/371724473.db2.gz FSNOVFKINJBCEZ-DTWKUNHWSA-N 1 0 220.338 0.538 10 0 BCAERO C[C@H]([NH3+])C[C@@H]1CCCCN1S(C)(=O)=O ZINC000216235966 371724890 /nfs/dbraw/zinc/72/48/90/371724890.db2.gz FSNOVFKINJBCEZ-IUCAKERBSA-N 1 0 220.338 0.538 10 0 BCAERO C[C@@H]1CN(c2ncc(N)s2)CC[N@@H+]1C ZINC000226743081 371734936 /nfs/dbraw/zinc/73/49/36/371734936.db2.gz XKEPHXATOPDETO-SSDOTTSWSA-N 1 0 212.322 0.866 10 0 BCAERO C[C@H]1CN(c2ncc(N)s2)CC[N@@H+]1C ZINC000226743091 371735071 /nfs/dbraw/zinc/73/50/71/371735071.db2.gz XKEPHXATOPDETO-ZETCQYMHSA-N 1 0 212.322 0.866 10 0 BCAERO Nc1ncc(Cl)cc1C(=O)C1C[NH2+]C1 ZINC000226536883 371691048 /nfs/dbraw/zinc/69/10/48/371691048.db2.gz HEQYUSOOIFUOEX-UHFFFAOYSA-N 1 0 211.652 0.719 10 0 BCAERO CCn1cc(C(=O)C2=CC[C@@H]([NH3+])C2)cn1 ZINC000226560494 371696389 /nfs/dbraw/zinc/69/63/89/371696389.db2.gz DSPWLGBIVPLPAG-PSASIEDQSA-N 1 0 205.261 0.989 10 0 BCAERO CCn1cc(C(=O)C2=CC[C@@H]([NH3+])C2)cn1 ZINC000226560499 371697243 /nfs/dbraw/zinc/69/72/43/371697243.db2.gz DSPWLGBIVPLPAG-WCBMZHEXSA-N 1 0 205.261 0.989 10 0 BCAERO Nc1ncccc1C(=O)C1=CC[C@@H]([NH3+])C1 ZINC000226567302 371698355 /nfs/dbraw/zinc/69/83/55/371698355.db2.gz ZRICASOATZQTRR-JGVFFNPUSA-N 1 0 203.245 0.750 10 0 BCAERO O=C(C[C@H]1C[NH2+]CCO1)c1cccnc1 ZINC000226584558 371701975 /nfs/dbraw/zinc/70/19/75/371701975.db2.gz WPFUFYBFDAHBIA-JTQLQIEISA-N 1 0 206.245 0.643 10 0 BCAERO NCC(F)(F)CN1C(=O)c2ccccc2C1=O ZINC000162698240 371823122 /nfs/dbraw/zinc/82/31/22/371823122.db2.gz JKBLRSMNZFUGJC-UHFFFAOYSA-N 1 0 240.209 0.877 10 0 BCAERO C[C@@H](O)C(C)(C)C[N@@H+]1CCC[C@@H](O)C1 ZINC000227293834 371826254 /nfs/dbraw/zinc/82/62/54/371826254.db2.gz CXGSEAMZFUUHSD-NXEZZACHSA-N 1 0 201.310 0.850 10 0 BCAERO [NH3+]C[C@H]1CCCN1C(=O)C(F)(F)C(F)F ZINC000178271748 134305591 /nfs/dbraw/zinc/30/55/91/134305591.db2.gz SEJVTYOQMMYBNE-RXMQYKEDSA-N 1 0 228.189 0.837 10 0 BCAERO CC[C@@H]1N[C@H](C)CCS(=O)(=O)[C@@H]1C ZINC000227559244 371890516 /nfs/dbraw/zinc/89/05/16/371890516.db2.gz KCFWYYKVRDWEOC-HLTSFMKQSA-N 1 0 205.323 0.950 10 0 BCAERO C[C@]1(CN2C[C@H]([NH3+])C2=O)CCCS1 ZINC000227628057 371910235 /nfs/dbraw/zinc/91/02/35/371910235.db2.gz YQXCUKUWYKUJHI-IONNQARKSA-N 1 0 200.307 0.442 10 0 BCAERO COC(=O)[C@@H]1CCC[N@H+](C[C@@H](C)CO)C1 ZINC000228199260 372002755 /nfs/dbraw/zinc/00/27/55/372002755.db2.gz LXDRQWGZFMLEES-NXEZZACHSA-N 1 0 215.293 0.500 10 0 BCAERO C[N@H+]([C@H]1CCC[C@]1(C)O)C(C)(C)CO ZINC000306195462 371997756 /nfs/dbraw/zinc/99/77/56/371997756.db2.gz YYOCDOGWSBCZDG-ONGXEEELSA-N 1 0 201.310 0.993 10 0 BCAERO C[N@H+]([C@H]1CCC[C@@]1(C)O)C(C)(C)CO ZINC000306195459 371998721 /nfs/dbraw/zinc/99/87/21/371998721.db2.gz YYOCDOGWSBCZDG-GXSJLCMTSA-N 1 0 201.310 0.993 10 0 BCAERO C[C@H]([NH3+])c1noc([C@H]2CSCN2)n1 ZINC000306214712 371999673 /nfs/dbraw/zinc/99/96/73/371999673.db2.gz NTOKAGFAIIGQPB-CRCLSJGQSA-N 1 0 200.267 0.424 10 0 BCAERO C[C@H]([NH3+])[C@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000227861775 371949458 /nfs/dbraw/zinc/94/94/58/371949458.db2.gz XCCZWPXLKCMIHH-XHNCKOQMSA-N 1 0 205.323 0.937 10 0 BCAERO C[C@H]([NH3+])[C@@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000227861769 371949735 /nfs/dbraw/zinc/94/97/35/371949735.db2.gz XCCZWPXLKCMIHH-DJLDLDEBSA-N 1 0 205.323 0.937 10 0 BCAERO C[C@@H](CO)N1CC[S@](=O)C(C)(C)CC1 ZINC000306479280 372023919 /nfs/dbraw/zinc/02/39/19/372023919.db2.gz HYMXBEBAMDEECA-XPTSAGLGSA-N 1 0 219.350 0.600 10 0 BCAERO [NH3+]C[C@H]1CCN(c2ncncc2Cl)C1 ZINC000163675061 372029277 /nfs/dbraw/zinc/02/92/77/372029277.db2.gz RWNWNWBMEBBHJU-SSDOTTSWSA-N 1 0 212.684 0.915 10 0 BCAERO COc1ncc([C@H](O)[C@H]2CCC[NH2+]2)s1 ZINC000306551509 372034027 /nfs/dbraw/zinc/03/40/27/372034027.db2.gz FRUYYMJTZSMGSR-HTRCEHHLSA-N 1 0 214.290 0.937 10 0 BCAERO COc1ncc([C@@H](O)[C@@H]2CCC[NH2+]2)s1 ZINC000306551514 372035631 /nfs/dbraw/zinc/03/56/31/372035631.db2.gz FRUYYMJTZSMGSR-XPUUQOCRSA-N 1 0 214.290 0.937 10 0 BCAERO NC1=NC(=O)N(Cc2ccccc2)[C@]12CC[NH2+]C2 ZINC000306562238 372037074 /nfs/dbraw/zinc/03/70/74/372037074.db2.gz CEUWQLPNNUCLFN-ZDUSSCGKSA-N 1 0 244.298 0.712 10 0 BCAERO C[C@H]1CSCCN(C(=O)/C=C/C[NH3+])C1 ZINC000306599563 372043423 /nfs/dbraw/zinc/04/34/23/372043423.db2.gz RQZGWDZRZLDPME-GKQMSVHHSA-N 1 0 214.334 0.713 10 0 BCAERO CC(C)[N@@H+]1CC[C@@]2(C1)NC(=S)NC2=O ZINC000133231572 372009559 /nfs/dbraw/zinc/00/95/59/372009559.db2.gz KUMIHMJSZWHYBL-VIFPVBQESA-N 1 0 213.306 0.255 10 0 BCAERO CN[C@@]1(CC(N)=O)CC[N@@H+]2CCCC[C@H]21 ZINC000228275223 372010274 /nfs/dbraw/zinc/01/02/74/372010274.db2.gz YLXQMVJYASFSSG-GXSJLCMTSA-N 1 0 211.309 0.078 10 0 BCAERO C[C@@H]1CN(S(C)(=O)=O)[C@@H](C)[C@@H](C)[NH2+]1 ZINC000404338439 372082250 /nfs/dbraw/zinc/08/22/50/372082250.db2.gz DAGPSVCKGHHQRV-PRJMDXOYSA-N 1 0 206.311 0.017 10 0 BCAERO [NH3+]Cc1nc2ncccn2c1Br ZINC000003887195 372084970 /nfs/dbraw/zinc/08/49/70/372084970.db2.gz JKCDJVPMXJXNDE-UHFFFAOYSA-N 1 0 227.065 0.951 10 0 BCAERO C[C@@H]1SCC[C@@H]1[NH2+][C@@H]1CNC(=O)C1 ZINC000228922455 372087778 /nfs/dbraw/zinc/08/77/78/372087778.db2.gz SOPRMPLZJCQZCW-FXQIFTODSA-N 1 0 200.307 0.359 10 0 BCAERO C[C@@H](C[S@](C)=O)Nc1cc(N)cc[nH+]1 ZINC000228961377 372097671 /nfs/dbraw/zinc/09/76/71/372097671.db2.gz DFNVKCJEHXMIIA-WJWGPLDTSA-N 1 0 213.306 0.843 10 0 BCAERO C[C@@H]1CCSC(NN2CCOCC2)=[NH+]1 ZINC000133743522 372100718 /nfs/dbraw/zinc/10/07/18/372100718.db2.gz SOMYKUGFDRKFAD-MRVPVSSYSA-N 1 0 215.322 0.705 10 0 BCAERO C[C@H]([NH3+])[C@@H](O)c1c(Br)cnn1C ZINC000307642164 372134770 /nfs/dbraw/zinc/13/47/70/372134770.db2.gz LCQWSHBSDLIXGO-MHTLYPKNSA-N 1 0 234.097 0.563 10 0 BCAERO CNC(=S)N(C)C1CC[NH+](C)CC1 ZINC000059112143 372142549 /nfs/dbraw/zinc/14/25/49/372142549.db2.gz IJFCPYZDQHOSFJ-UHFFFAOYSA-N 1 0 201.339 0.517 10 0 BCAERO CCNC(=S)N(C)C1CC[NH+](C)CC1 ZINC000059114084 372142901 /nfs/dbraw/zinc/14/29/01/372142901.db2.gz DZEPYFADLHLQBO-UHFFFAOYSA-N 1 0 215.366 0.907 10 0 BCAERO [NH3+]C[C@H]1COCCN1[C@H]1CCSC1 ZINC000405299745 372151917 /nfs/dbraw/zinc/15/19/17/372151917.db2.gz IUBQFJQTKWDWSR-IUCAKERBSA-N 1 0 202.323 0.151 10 0 BCAERO CNC(=O)[C@@H](C)[NH2+]C1CCC(O)CC1 ZINC000218828646 372156509 /nfs/dbraw/zinc/15/65/09/372156509.db2.gz QUBOFUSUWVRUCP-AFPNSQJFSA-N 1 0 200.282 0.014 10 0 BCAERO O=C(C1[C@@H]2CCC[C@H]12)N1CCC[NH2+]CC1 ZINC000147981999 181873226 /nfs/dbraw/zinc/87/32/26/181873226.db2.gz JWHLUTHNRJXVPB-ZACCUICWSA-N 1 0 208.305 0.854 10 0 BCAERO Cc1nccnc1CN1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631836843 372624484 /nfs/dbraw/zinc/62/44/84/372624484.db2.gz HWRDZIRAFKDDQG-KOLCDFICSA-N 1 0 220.320 0.812 10 0 BCAERO CC(C)n1nnnc1CN1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631838368 372631018 /nfs/dbraw/zinc/63/10/18/372631018.db2.gz NAXPUYPVEZSIBT-ZJUUUORDSA-N 1 0 238.339 0.281 10 0 BCAERO Cc1noc(CN2C[C@@H](C)[C@@H](C[NH3+])C2)n1 ZINC000631838029 372631042 /nfs/dbraw/zinc/63/10/42/372631042.db2.gz ILOVKZPSHLIZGA-APPZFPTMSA-N 1 0 210.281 0.405 10 0 BCAERO C[C@@H]1CN(CC(=O)N(C)C2CC2)C[C@@H]1C[NH3+] ZINC000631838599 372634577 /nfs/dbraw/zinc/63/45/77/372634577.db2.gz QYMTZHKKKOGMDU-ZJUUUORDSA-N 1 0 225.336 0.134 10 0 BCAERO C[C@H](CN1C[C@H](C)[C@H](C[NH3+])C1)CS(C)(=O)=O ZINC000631840930 372638238 /nfs/dbraw/zinc/63/82/38/372638238.db2.gz WLJAPOPKXDLGOX-OUAUKWLOSA-N 1 0 248.392 0.194 10 0 BCAERO C[C@H]1CN(Cc2noc(C3CC3)n2)C[C@@H]1C[NH3+] ZINC000631841939 372638796 /nfs/dbraw/zinc/63/87/96/372638796.db2.gz RZUCJNZQAGZPFZ-WPRPVWTQSA-N 1 0 236.319 0.974 10 0 BCAERO CC(C)NC(=O)CN1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631843204 372640094 /nfs/dbraw/zinc/64/00/94/372640094.db2.gz KKXWFUZUQRUMQM-UWVGGRQHSA-N 1 0 213.325 0.038 10 0 BCAERO CC(C)S(=O)(=O)CCCN1C[C@H]([NH3+])C[C@@H]1C ZINC000631861075 372662444 /nfs/dbraw/zinc/66/24/44/372662444.db2.gz VDCMZFRQPQJFOV-WDEREUQCSA-N 1 0 248.392 0.621 10 0 BCAERO C[C@H]1CN(S(=O)(=O)CC2CC2)C[C@@H]1C[NH3+] ZINC000631968146 372705917 /nfs/dbraw/zinc/70/59/17/372705917.db2.gz RUZUCLREWJBBNW-WPRPVWTQSA-N 1 0 232.349 0.253 10 0 BCAERO O=C(CN[C@@H]1CC[NH2+]C1)c1nccs1 ZINC000095072745 181981398 /nfs/dbraw/zinc/98/13/98/181981398.db2.gz LRFCFWYLKBCGTB-SSDOTTSWSA-N 1 0 211.290 0.277 10 0 BCAERO O=C(C[NH2+][C@H]1CN2CCC1CC2)N1CCCC1 ZINC000020070686 181982047 /nfs/dbraw/zinc/98/20/47/181982047.db2.gz KFJFPYNDMMDOFA-LBPRGKRZSA-N 1 0 237.347 0.293 10 0 BCAERO O=C(CO[C@@H]1CC[NH2+]C1)N1CCCCC1 ZINC000051782515 181999976 /nfs/dbraw/zinc/99/99/76/181999976.db2.gz YBDITZNAXHAOPZ-SNVBAGLBSA-N 1 0 212.293 0.377 10 0 BCAERO O=C(COc1cccc(O)c1)N1CC[NH2+]CC1 ZINC000022011233 182001114 /nfs/dbraw/zinc/00/11/14/182001114.db2.gz TVSDOPSPWRERRQ-UHFFFAOYSA-N 1 0 236.271 0.203 10 0 BCAERO O=C(C[C@@H]1CCCC[NH2+]1)N1CCC[C@H]1CO ZINC000042435007 182016772 /nfs/dbraw/zinc/01/67/72/182016772.db2.gz IJDMKYROZSDPNM-QWRGUYRKSA-N 1 0 226.320 0.502 10 0 BCAERO O=C(CSC1CCOCC1)N1CC[NH2+]CC1 ZINC000062056276 182007619 /nfs/dbraw/zinc/00/76/19/182007619.db2.gz LDNXZCBXVJTSPH-UHFFFAOYSA-N 1 0 244.360 0.330 10 0 BCAERO O=C(C[C@@H]1CCC[NH2+]1)N1CCC(O)CC1 ZINC000042165712 182018336 /nfs/dbraw/zinc/01/83/36/182018336.db2.gz NMGBFZQKQSACEZ-VIFPVBQESA-N 1 0 212.293 0.112 10 0 BCAERO O=C(C[C@H]1CCCC[NH2+]1)NC[C@@H]1CCCO1 ZINC000020597358 182027198 /nfs/dbraw/zinc/02/71/98/182027198.db2.gz LTOIKCONNYSVJJ-MNOVXSKESA-N 1 0 226.320 0.814 10 0 BCAERO O=C(C[C@H]1CCCC[NH2+]1)N1CCC[C@H](O)C1 ZINC000042471062 182027493 /nfs/dbraw/zinc/02/74/93/182027493.db2.gz HRUIYJCWEDMEJG-MNOVXSKESA-N 1 0 226.320 0.502 10 0 BCAERO O=C(C[C@H]1CCC[NH2+]1)Nc1ncccn1 ZINC000042165783 182028613 /nfs/dbraw/zinc/02/86/13/182028613.db2.gz QUPQOJCIGZFINO-MRVPVSSYSA-N 1 0 206.249 0.557 10 0 BCAERO O=C(Cc1ccccc1)CN1CC[NH2+]CC1 ZINC000050145257 182042906 /nfs/dbraw/zinc/04/29/06/182042906.db2.gz ZPJJESMMDVCTEA-UHFFFAOYSA-N 1 0 218.300 0.703 10 0 BCAERO O=C(Cc1ccccn1)NC[C@@H]1CCC[NH2+]1 ZINC000053253229 182046599 /nfs/dbraw/zinc/04/65/99/182046599.db2.gz JEAYSTPWMPCMLS-NSHDSACASA-N 1 0 219.288 0.492 10 0 BCAERO [NH3+]CC(=O)Nc1ccc(O)c(Cl)c1 ZINC000141805935 373038499 /nfs/dbraw/zinc/03/84/99/373038499.db2.gz KGORXKQKTJBWSY-UHFFFAOYSA-N 1 0 200.625 0.943 10 0 BCAERO C[N@@H+]1CCN(CC(=O)C2CC2)CC1(C)C ZINC000068897520 373086399 /nfs/dbraw/zinc/08/63/99/373086399.db2.gz QRXSZNDOAUYWEW-UHFFFAOYSA-N 1 0 210.321 0.992 10 0 BCAERO CCC(=[NH2+])N[C@H]1CCCS(=O)(=O)C1 ZINC000068942149 373095204 /nfs/dbraw/zinc/09/52/04/373095204.db2.gz SFPSCSRRNWYBFS-ZETCQYMHSA-N 1 0 204.295 0.540 10 0 BCAERO O=C(N1CC[N@@H+]2CCC[C@@H]2C1)C(F)(F)F ZINC000112022562 182081221 /nfs/dbraw/zinc/08/12/21/182081221.db2.gz RKTCVJDNORDXNW-SSDOTTSWSA-N 1 0 222.210 0.855 10 0 BCAERO O=C(N1CC[NH2+]CC1)C(F)(F)Br ZINC000040539794 182081603 /nfs/dbraw/zinc/08/16/03/182081603.db2.gz PBIRFDVAKKEUAU-UHFFFAOYSA-N 1 0 243.051 0.406 10 0 BCAERO O=C(NC1(CO)CCCCC1)[C@@H]1CC[NH2+]C1 ZINC000062116874 182090600 /nfs/dbraw/zinc/09/06/00/182090600.db2.gz LFGZZMZKNBAFIP-SNVBAGLBSA-N 1 0 226.320 0.407 10 0 BCAERO O=C(NC1CCC(O)CC1)[C@H]1CSCN1 ZINC000019438347 182104188 /nfs/dbraw/zinc/10/41/88/182104188.db2.gz MTGVOBBPCLHOEN-AMDVSUOASA-N 1 0 230.333 0.069 10 0 BCAERO NC(=O)[C@H]([NH3+])c1cccc2cccnc21 ZINC000069503053 373330966 /nfs/dbraw/zinc/33/09/66/373330966.db2.gz LAPFYBHBLBZUGP-SECBINFHSA-N 1 0 201.229 0.720 10 0 BCAERO O=C(NC1[C@H]2C[NH2+]C[C@@H]12)c1ccc2c(c1)COC2 ZINC000104217395 182120090 /nfs/dbraw/zinc/12/00/90/182120090.db2.gz VAXRAZUEQFANFV-FUNVUKJBSA-N 1 0 244.294 0.664 10 0 BCAERO CC[C@]1(C)C[C@@]([NH3+])(C(=O)OC)CCO1 ZINC000069543636 373448784 /nfs/dbraw/zinc/44/87/84/373448784.db2.gz PLKPLVCMLCJUHG-NXEZZACHSA-N 1 0 201.266 0.836 10 0 BCAERO O=C(NCC1CC[NH2+]CC1)c1cncc(O)c1 ZINC000104429317 182147677 /nfs/dbraw/zinc/14/76/77/182147677.db2.gz DJXOUDBOVAUGEW-UHFFFAOYSA-N 1 0 235.287 0.517 10 0 BCAERO CO[C@@H]1C[NH2+][C@H](C(=O)NC(C)(C)C)C1 ZINC000040629371 373568034 /nfs/dbraw/zinc/56/80/34/373568034.db2.gz ZGMSCYCTVJGHPT-YUMQZZPRSA-N 1 0 200.282 0.278 10 0 BCAERO CCS(=O)(=O)N1CC[C@H](C)[C@H]([NH3+])C1 ZINC000069719596 373648335 /nfs/dbraw/zinc/64/83/35/373648335.db2.gz QVVPERHZPSVQRC-JGVFFNPUSA-N 1 0 206.311 0.005 10 0 BCAERO O=C(NCCC1=CCCCC1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000035661269 182152951 /nfs/dbraw/zinc/15/29/51/182152951.db2.gz ZDJYQMRHLIWWGD-VXGBXAGGSA-N 1 0 238.331 0.716 10 0 BCAERO O=C(NCCO)C1(c2ccccc2)CC[NH2+]CC1 ZINC000042326931 182189788 /nfs/dbraw/zinc/18/97/88/182189788.db2.gz JRHVFHIHEVUWTD-UHFFFAOYSA-N 1 0 248.326 0.416 10 0 BCAERO CCC[C@@H](C(=O)NCC1(CCO)CC1)[NH+](C)C ZINC000188011010 205822358 /nfs/dbraw/zinc/82/23/58/205822358.db2.gz VUWRPFHJHVJXDQ-NSHDSACASA-N 1 0 242.363 0.996 10 0 BCAERO O=C(NCC[C@H]1CCCC[NH2+]1)[C@@H]1CCOC1 ZINC000040941912 182200206 /nfs/dbraw/zinc/20/02/06/182200206.db2.gz HODSQXBMPFLMQV-GHMZBOCLSA-N 1 0 226.320 0.671 10 0 BCAERO O=C(NCC[C@H]1CCCO1)[C@@H]1CCC[NH2+]1 ZINC000038096836 182201182 /nfs/dbraw/zinc/20/11/82/182201182.db2.gz ZUSYGOBTCIGILJ-ZJUUUORDSA-N 1 0 212.293 0.424 10 0 BCAERO O=C(NCC[C@H]1CCCO1)[C@H]1CCC[NH2+]C1 ZINC000038096849 182202215 /nfs/dbraw/zinc/20/22/15/182202215.db2.gz WPEPFQJAZFQDAQ-WDEREUQCSA-N 1 0 226.320 0.671 10 0 BCAERO O=C(NCCc1ccco1)[C@@H]1CCC[NH2+]1 ZINC000035122094 182207991 /nfs/dbraw/zinc/20/79/91/182207991.db2.gz DTKMAIZCEMQQTM-JTQLQIEISA-N 1 0 208.261 0.690 10 0 BCAERO O=C(NC[C@@H]1CCCC[NH2+]1)c1cn[nH]c1 ZINC000044491849 182223184 /nfs/dbraw/zinc/22/31/84/182223184.db2.gz OQOZGVGEXFUEMZ-VIFPVBQESA-N 1 0 208.265 0.282 10 0 BCAERO [NH3+][C@H]1CCCN(C[C@@H]2CCOCO2)C1 ZINC000041029563 374081184 /nfs/dbraw/zinc/08/11/84/374081184.db2.gz UUEWDOWRNVYBTL-UWVGGRQHSA-N 1 0 200.282 0.173 10 0 BCAERO O=C(NC[C@H]1CC[NH2+]C1)c1cncc(F)c1 ZINC000134016518 182242308 /nfs/dbraw/zinc/24/23/08/182242308.db2.gz LXPGUGIQLPEUPJ-QMMMGPOBSA-N 1 0 223.251 0.560 10 0 BCAERO O=C(NC[C@H]1CCCC[NH2+]1)C1=COCCO1 ZINC000044492197 182236400 /nfs/dbraw/zinc/23/64/00/182236400.db2.gz LGSBMKVZBFXWGV-SECBINFHSA-N 1 0 226.276 0.133 10 0 BCAERO O=C(NCc1cccc(F)c1)[C@H]1C[NH2+]CCN1 ZINC000062812688 182254708 /nfs/dbraw/zinc/25/47/08/182254708.db2.gz GWFBIZQAYCLSIQ-LLVKDONJSA-N 1 0 237.278 0.003 10 0 BCAERO O=C(NC[C@H]1Cc2ccccc2O1)[C@H]1CC[NH2+]C1 ZINC000062115428 182247554 /nfs/dbraw/zinc/24/75/54/182247554.db2.gz PGNIBFMRGFWILB-NWDGAFQWSA-N 1 0 246.310 0.716 10 0 BCAERO O=C(NCc1ccc(F)cc1)[C@H]1C[NH2+]CCN1 ZINC000062812521 182250596 /nfs/dbraw/zinc/25/05/96/182250596.db2.gz ZGLMCJNRUWAJMW-LLVKDONJSA-N 1 0 237.278 0.003 10 0 BCAERO CC(C)S(=O)(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000070957750 374235403 /nfs/dbraw/zinc/23/54/03/374235403.db2.gz IKICKTALKUNLAK-BDAKNGLRSA-N 1 0 220.338 0.312 10 0 BCAERO [NH3+][C@@H](C[C@@H]1CCS(=O)(=O)C1)C1CC1 ZINC000071003117 374240423 /nfs/dbraw/zinc/24/04/23/374240423.db2.gz DZDQSIBMFPYFPL-CBAPKCEASA-N 1 0 203.307 0.549 10 0 BCAERO O=C(N[C@@H](CO)Cc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000063220815 182287927 /nfs/dbraw/zinc/28/79/27/182287927.db2.gz YTYRRTBPYWDDBV-OLZOCXBDSA-N 1 0 248.326 0.458 10 0 BCAERO O=C(c1ccoc1)N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000085282376 182692887 /nfs/dbraw/zinc/69/28/87/182692887.db2.gz KIUXROKMRBBOBZ-NXEZZACHSA-N 1 0 206.245 0.571 10 0 BCAERO O=C1NCCC[C@H]1[NH2+]CC[C@@H]1CCOC1 ZINC000308868876 182802353 /nfs/dbraw/zinc/80/23/53/182802353.db2.gz ICSQMAXMOVKTMP-NXEZZACHSA-N 1 0 212.293 0.281 10 0 BCAERO O=S(=O)(C[C@@H]1CCC[NH2+]1)NC1CCC1 ZINC000052212861 182889810 /nfs/dbraw/zinc/88/98/10/182889810.db2.gz ZHXNFVQYOVLVNK-VIFPVBQESA-N 1 0 218.322 0.210 10 0 BCAERO O=S1(=O)CCC([NH2+]Cc2cncs2)CC1 ZINC000054770555 182908067 /nfs/dbraw/zinc/90/80/67/182908067.db2.gz VOZCXHZNGFAICJ-UHFFFAOYSA-N 1 0 246.357 0.810 10 0 BCAERO O=S1(=O)CCCN1C[C@H]1CCC[NH2+]C1 ZINC000019479609 182908568 /nfs/dbraw/zinc/90/85/68/182908568.db2.gz ILKGKJHDPFZOLW-VIFPVBQESA-N 1 0 218.322 0.022 10 0 BCAERO O=S1(=O)CC[C@@H](C[NH2+]C2CCC2)C1 ZINC000044481858 182909538 /nfs/dbraw/zinc/90/95/38/182909538.db2.gz FCJJDJDWJNFADU-QMMMGPOBSA-N 1 0 203.307 0.563 10 0 BCAERO O=S1(=O)CCN(CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000051919033 182909679 /nfs/dbraw/zinc/90/96/79/182909679.db2.gz CMXVTXWNRLEBET-NSHDSACASA-N 1 0 246.376 0.107 10 0 BCAERO O=S1(=O)CC[C@@H](CC[NH2+]C2CC2)C1 ZINC000052949391 182910488 /nfs/dbraw/zinc/91/04/88/182910488.db2.gz LMVKFOIKECONPM-MRVPVSSYSA-N 1 0 203.307 0.563 10 0 BCAERO O=S1(=O)CC[C@@H]([NH2+]C2(CO)CCCCC2)C1 ZINC000053096950 182911825 /nfs/dbraw/zinc/91/18/25/182911825.db2.gz KFTSVYAZQSCGKX-SNVBAGLBSA-N 1 0 247.360 0.458 10 0 BCAERO O=S1(=O)CC[C@H](OCC[C@H]2CCC[NH2+]C2)C1 ZINC000051918077 182913649 /nfs/dbraw/zinc/91/36/49/182913649.db2.gz ANFTVRUDIHRTGR-MNOVXSKESA-N 1 0 247.360 0.580 10 0 BCAERO O=[S@@](c1ccc(Cl)nn1)[C@H]1CC[NH2+]C1 ZINC000095069945 182964259 /nfs/dbraw/zinc/96/42/59/182964259.db2.gz WQJYUJANHDAHJV-MDAAJZPYSA-N 1 0 231.708 0.600 10 0 BCAERO O=[S@@](c1ccc(Cl)nn1)C1CC[NH2+]CC1 ZINC000095069951 182964728 /nfs/dbraw/zinc/96/47/28/182964728.db2.gz QVLOQTGYFHVFRF-HNNXBMFYSA-N 1 0 245.735 0.990 10 0 BCAERO O=[S@](C[C@@H]1CCC[NH2+]C1)c1cnccn1 ZINC000095073605 182966461 /nfs/dbraw/zinc/96/64/61/182966461.db2.gz VSOGTWWUZPPNJO-PSLIRLAXSA-N 1 0 225.317 0.584 10 0 BCAERO O=[S@](Cc1ccncc1)[C@H]1CC[NH2+]C1 ZINC000095073446 182966990 /nfs/dbraw/zinc/96/69/90/182966990.db2.gz DLVGQBOIJZCMOM-HZMBPMFUSA-N 1 0 210.302 0.692 10 0 BCAERO O=[S@](c1ncc(F)cn1)[C@@H]1CCC[NH2+]C1 ZINC000095071992 182968152 /nfs/dbraw/zinc/96/81/52/182968152.db2.gz JLTMHVNHFOPFND-ANRSDYALSA-N 1 0 229.280 0.475 10 0 BCAERO O=c1cc(C(F)F)nc(N2CCC[NH2+]CC2)[nH]1 ZINC000071397917 182992492 /nfs/dbraw/zinc/99/24/92/182992492.db2.gz MWCCFCZTPWNGCA-UHFFFAOYSA-N 1 0 244.245 0.507 10 0 BCAERO OCC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000037693594 183041602 /nfs/dbraw/zinc/04/16/02/183041602.db2.gz KSXKDTIUPQWJSQ-NWDGAFQWSA-N 1 0 213.321 0.994 10 0 BCAERO OCCC[NH2+]CCc1ccc2c(c1)OCCO2 ZINC000048694639 183059092 /nfs/dbraw/zinc/05/90/92/183059092.db2.gz NDZQYARPVABQGM-UHFFFAOYSA-N 1 0 237.299 0.972 10 0 BCAERO OC[C@@H](O)C[NH2+][C@@H]1CCc2ccccc21 ZINC000037855571 183111559 /nfs/dbraw/zinc/11/15/59/183111559.db2.gz VFKGNQYTVBJNBI-CMPLNLGQSA-N 1 0 207.273 0.617 10 0 BCAERO CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1CO ZINC000042434954 169005425 /nfs/dbraw/zinc/00/54/25/169005425.db2.gz FGJDUHZUFBSPQO-UWVGGRQHSA-N 1 0 214.309 0.487 10 0 BCAERO CCCC[C@H]([NH3+])C(=O)N(C)CC(=O)NCC ZINC000037821905 169005855 /nfs/dbraw/zinc/00/58/55/169005855.db2.gz WXSILAAGWLGECQ-VIFPVBQESA-N 1 0 229.324 0.098 10 0 BCAERO OC[C@H](O)C[NH2+][C@@H]1CCOc2ccccc21 ZINC000077573728 183143609 /nfs/dbraw/zinc/14/36/09/183143609.db2.gz XRFVINHMQWHVMG-MWLCHTKSSA-N 1 0 223.272 0.453 10 0 BCAERO OC[C@H](O)C[NH2+][C@@H]1CCc2ccccc21 ZINC000077548993 183144575 /nfs/dbraw/zinc/14/45/75/183144575.db2.gz VFKGNQYTVBJNBI-ZYHUDNBSSA-N 1 0 207.273 0.617 10 0 BCAERO OC[C@@H]1C[C@@H](O)C[N@@H+]1C[C@@H]1Cc2ccccc21 ZINC000287710522 183130464 /nfs/dbraw/zinc/13/04/64/183130464.db2.gz JPFXUJKUJCYTRB-RWMBFGLXSA-N 1 0 233.311 0.754 10 0 BCAERO OC[C@H]1CCCC[N@@H+]1Cc1cnccn1 ZINC000050104288 183148601 /nfs/dbraw/zinc/14/86/01/183148601.db2.gz ZRWCIBMHGOTPLC-LLVKDONJSA-N 1 0 207.277 0.823 10 0 BCAERO OC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccc(F)cc1 ZINC000179170227 183156582 /nfs/dbraw/zinc/15/65/82/183156582.db2.gz YSOMVVJDTYFZQZ-NEPJUHHUSA-N 1 0 225.263 0.753 10 0 BCAERO OCc1ccc(C[N@H+]2C[C@@H](O)C[C@@H]2CO)cc1 ZINC000185152230 183163851 /nfs/dbraw/zinc/16/38/51/183163851.db2.gz HPRQBESFVHCEDY-OLZOCXBDSA-N 1 0 237.299 0.106 10 0 BCAERO CCCN(C(=O)[C@@H](C)N1CC[NH2+]CC1)C1CC1 ZINC000037097658 169043872 /nfs/dbraw/zinc/04/38/72/169043872.db2.gz DBESBLPEKPMSHI-LLVKDONJSA-N 1 0 239.363 0.681 10 0 BCAERO OC[C@H](c1cccnc1)N1CC[NH2+]CC1 ZINC000038120849 183145425 /nfs/dbraw/zinc/14/54/25/183145425.db2.gz RNAVPHPCTUYPBO-LLVKDONJSA-N 1 0 207.277 0.020 10 0 BCAERO OC[C@H](c1cccs1)N1CC[NH2+]CC1 ZINC000041226395 183145646 /nfs/dbraw/zinc/14/56/46/183145646.db2.gz CSDGWICQSHDDSC-SECBINFHSA-N 1 0 212.318 0.687 10 0 BCAERO O[C@@H](CN1CC[NH2+]CC1)c1cc(F)cc(F)c1 ZINC000070459584 183176500 /nfs/dbraw/zinc/17/65/00/183176500.db2.gz SXTKRDCVCYIBTB-LBPRGKRZSA-N 1 0 242.269 0.903 10 0 BCAERO O[C@@H]1CCC[C@H]1[NH2+]CCN1CCCCC1 ZINC000049575148 183196354 /nfs/dbraw/zinc/19/63/54/183196354.db2.gz MGCFAKGCZNOBQE-VXGBXAGGSA-N 1 0 212.337 0.975 10 0 BCAERO CCCN(C)C(=O)[C@H]1C[C@@H](OC)C[NH2+]1 ZINC000040631565 169059605 /nfs/dbraw/zinc/05/96/05/169059605.db2.gz FXUIMHHNJWTYAZ-RKDXNWHRSA-N 1 0 200.282 0.232 10 0 BCAERO O[C@@H]1CCCC[C@@H]1[NH2+]CCn1cccn1 ZINC000042540827 183189025 /nfs/dbraw/zinc/18/90/25/183189025.db2.gz GJUWWIWPSFEKRD-WDEREUQCSA-N 1 0 209.293 0.776 10 0 BCAERO O[C@@H]1CCCC[C@@H]1[NH2+]Cc1cncnc1 ZINC000054768232 183189089 /nfs/dbraw/zinc/18/90/89/183189089.db2.gz GXTUWNUZMZGWFP-WDEREUQCSA-N 1 0 207.277 0.870 10 0 BCAERO O[C@@H]1CCC[C@@H]1C[NH2+]Cc1cncnc1 ZINC000084229038 183195442 /nfs/dbraw/zinc/19/54/42/183195442.db2.gz LSPDFHLTCBKJFT-GHMZBOCLSA-N 1 0 207.277 0.727 10 0 BCAERO CCCN(CC(=O)OC)C(=O)[C@@H]1C[NH2+]C[C@@H]1C ZINC000104225634 169100172 /nfs/dbraw/zinc/10/01/72/169100172.db2.gz FHGMOOJVYJCRAT-VHSXEESVSA-N 1 0 242.319 0.254 10 0 BCAERO CCCN(C)S(=O)(=O)C1CC[NH2+]CC1 ZINC000049642963 169083019 /nfs/dbraw/zinc/08/30/19/169083019.db2.gz RDCFUTMIHAMJTF-UHFFFAOYSA-N 1 0 220.338 0.410 10 0 BCAERO CCCN(C)S(=O)(=O)c1cc[nH+]c(NN)c1 ZINC000038009035 169084115 /nfs/dbraw/zinc/08/41/15/169084115.db2.gz VOMXYLOZEQDQMF-UHFFFAOYSA-N 1 0 244.320 0.398 10 0 BCAERO CCCN(C)S(=O)(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000236767869 169084337 /nfs/dbraw/zinc/08/43/37/169084337.db2.gz PYDMPHMQTNKHRA-ZJUUUORDSA-N 1 0 249.380 0.290 10 0 BCAERO O[C@H]1CCCC[C@@H]1[NH2+]CCn1cccn1 ZINC000042540822 183231558 /nfs/dbraw/zinc/23/15/58/183231558.db2.gz GJUWWIWPSFEKRD-QWRGUYRKSA-N 1 0 209.293 0.776 10 0 BCAERO CCCN(CC(=O)N(C)C(C)C)[C@@H]1CC[NH2+]C1 ZINC000071330835 169091512 /nfs/dbraw/zinc/09/15/12/169091512.db2.gz WSICEFWQKGGBHZ-GFCCVEGCSA-N 1 0 241.379 0.927 10 0 BCAERO CCC[N@@H+](CC(=O)N(C)C)C[C@H](C)C(=O)OC ZINC000042423175 169093143 /nfs/dbraw/zinc/09/31/43/169093143.db2.gz MJOOHTANWMBRMY-JTQLQIEISA-N 1 0 244.335 0.596 10 0 BCAERO CCCN(CC(=O)N1CCC1)C1CC[NH2+]CC1 ZINC000037539105 169093281 /nfs/dbraw/zinc/09/32/81/169093281.db2.gz LZCXTTJNLJYPOU-UHFFFAOYSA-N 1 0 239.363 0.683 10 0 BCAERO CCCN(CC(=O)NC)C(=O)[C@H](C)C[NH2+]CC ZINC000061266350 169094153 /nfs/dbraw/zinc/09/41/53/169094153.db2.gz GCWADLLYDLRSLC-SNVBAGLBSA-N 1 0 243.351 0.217 10 0 BCAERO CCC[N@@H+](CC(=O)NC)C[C@@H](C)C(=O)OC ZINC000042405309 169094753 /nfs/dbraw/zinc/09/47/53/169094753.db2.gz RMFYGGCBGSJOAD-SECBINFHSA-N 1 0 230.308 0.254 10 0 BCAERO CCCN(CC(=O)NC)C(=O)[C@@](C)([NH3+])C1CC1 ZINC000038101072 169094974 /nfs/dbraw/zinc/09/49/74/169094974.db2.gz NUWGICRCPDZPRP-LBPRGKRZSA-N 1 0 241.335 0.098 10 0 BCAERO CCCN(CC(=O)NC)C(=O)[C@@H](C)C[NH2+]CC ZINC000061266348 169095030 /nfs/dbraw/zinc/09/50/30/169095030.db2.gz GCWADLLYDLRSLC-JTQLQIEISA-N 1 0 243.351 0.217 10 0 BCAERO O[C@H]1CC[NH2+]C2(CN(Cc3ccccc3)C2)C1 ZINC000082344274 183240957 /nfs/dbraw/zinc/24/09/57/183240957.db2.gz LJKUGTLDECXANS-ZDUSSCGKSA-N 1 0 232.327 0.985 10 0 BCAERO O[C@H]1CCCC[C@H]1[NH2+]CCn1ccnc1 ZINC000042541373 183232648 /nfs/dbraw/zinc/23/26/48/183232648.db2.gz LKAAGLVUEUOHIM-MNOVXSKESA-N 1 0 209.293 0.776 10 0 BCAERO O[C@H]1CCCC[C@H]1[NH2+]CCN1CCCC1 ZINC000051770041 183233094 /nfs/dbraw/zinc/23/30/94/183233094.db2.gz HCMUPOLEXSMXJK-NEPJUHHUSA-N 1 0 212.337 0.975 10 0 BCAERO Oc1ccc2c(c1)C[C@H](C1=[NH+]CCN1)O2 ZINC000027642231 183280607 /nfs/dbraw/zinc/28/06/07/183280607.db2.gz DMMVWJDJHGCGDK-SNVBAGLBSA-N 1 0 204.229 0.697 10 0 BCAERO O=c1cc(CN[C@H]2CCC[NH2+]C2)nc[nH]1 ZINC000045956805 183257477 /nfs/dbraw/zinc/25/74/77/183257477.db2.gz RYGXLDVFCBPKKV-QMMMGPOBSA-N 1 0 208.265 0.024 10 0 BCAERO Oc1ccc2c(c1)O[C@@H](C1=[NH+]CCN1)C2 ZINC000027648217 183281307 /nfs/dbraw/zinc/28/13/07/183281307.db2.gz DRHULHXODFBXFZ-SNVBAGLBSA-N 1 0 204.229 0.697 10 0 BCAERO CCC[N@H+](C[C@H](N)C(=O)OCC)C(C)C ZINC000045385640 169173049 /nfs/dbraw/zinc/17/30/49/169173049.db2.gz PBMVIWAGDWRTFZ-JTQLQIEISA-N 1 0 216.325 0.997 10 0 BCAERO CCCN(CCO)C(=O)[C@H]1CCC[C@@H](C)[C@@H]1[NH3+] ZINC000055133230 169163828 /nfs/dbraw/zinc/16/38/28/169163828.db2.gz SAMHTRIEIIYQPC-WOPDTQHZSA-N 1 0 242.363 0.981 10 0 BCAERO CCC[N@H+](CCO)C[C@@H](C)C(=O)OC ZINC000042207082 169164944 /nfs/dbraw/zinc/16/49/44/169164944.db2.gz LWMQSBPFCZIBBH-SECBINFHSA-N 1 0 203.282 0.500 10 0 BCAERO CCCN(c1ccc(C(N)=O)nn1)[C@@H]1CC[NH2+]C1 ZINC000095013152 169182216 /nfs/dbraw/zinc/18/22/16/169182216.db2.gz WKWNWUMGKOHZMG-SECBINFHSA-N 1 0 249.318 0.154 10 0 BCAERO CCCN(c1ccc(C(N)=O)nn1)[C@H]1CC[NH2+]C1 ZINC000095013153 169182557 /nfs/dbraw/zinc/18/25/57/169182557.db2.gz WKWNWUMGKOHZMG-VIFPVBQESA-N 1 0 249.318 0.154 10 0 BCAERO CCCN1C(=O)C[C@@H]([NH2+]C(C)(C)C)C1=O ZINC000036850854 169184545 /nfs/dbraw/zinc/18/45/45/169184545.db2.gz RBTHCXKGTPSANK-MRVPVSSYSA-N 1 0 212.293 0.912 10 0 BCAERO CCC[NH+]1CCC(N[C@@H]2COC[C@H]2O)CC1 ZINC000049555234 169190282 /nfs/dbraw/zinc/19/02/82/169190282.db2.gz SBSWIGYTPUZREA-VXGBXAGGSA-N 1 0 228.336 0.210 10 0 BCAERO CCC[NH+]1CCN(Cc2nnsc2N)CC1 ZINC000050792088 169203180 /nfs/dbraw/zinc/20/31/80/169203180.db2.gz SACKRMJVIPCATB-UHFFFAOYSA-N 1 0 241.364 0.648 10 0 BCAERO CCCNC(=O)CNC(=O)[C@H]1CCC[C@H](C)[NH2+]1 ZINC000036781276 169225133 /nfs/dbraw/zinc/22/51/33/169225133.db2.gz AZIKQLBYZYUSCC-VHSXEESVSA-N 1 0 241.335 0.159 10 0 BCAERO CCCNC(=O)C[NH2+][C@H](C)C(=O)N[C@H](C)CC ZINC000035207094 169229134 /nfs/dbraw/zinc/22/91/34/169229134.db2.gz VBGYRTVUUXWHIW-NXEZZACHSA-N 1 0 243.351 0.405 10 0 BCAERO CCCNC(=O)C[NH2+][C@H](C)C(=O)N[C@@H](C)CC ZINC000035207092 169229318 /nfs/dbraw/zinc/22/93/18/169229318.db2.gz VBGYRTVUUXWHIW-VHSXEESVSA-N 1 0 243.351 0.405 10 0 BCAERO CCC[NH2+]CCNS(=O)(=O)N(C)C(C)C ZINC000054266435 169260286 /nfs/dbraw/zinc/26/02/86/169260286.db2.gz VWXAFNMSAKNYAM-UHFFFAOYSA-N 1 0 237.369 0.161 10 0 BCAERO CCC[NH2+]CCNc1nccn2cnnc12 ZINC000070616651 169260614 /nfs/dbraw/zinc/26/06/14/169260614.db2.gz PBWNIHVHUIKINO-UHFFFAOYSA-N 1 0 220.280 0.536 10 0 BCAERO c1nnc2ccc(NC[C@@H]3CCC[NH2+]C3)nn12 ZINC000073736981 183376862 /nfs/dbraw/zinc/37/68/62/183376862.db2.gz PGMOVRRUCCOHNL-SECBINFHSA-N 1 0 232.291 0.536 10 0 BCAERO CCCNC(=O)[C@@H](C)[NH2+]CC(=O)N(C)C1CC1 ZINC000049305392 169242058 /nfs/dbraw/zinc/24/20/58/169242058.db2.gz UZHVSYUINKRZOC-SECBINFHSA-N 1 0 241.335 0.112 10 0 BCAERO CCCNC(=O)[C@@H]1CCCN1C1CC[NH2+]CC1 ZINC000038042794 169245239 /nfs/dbraw/zinc/24/52/39/169245239.db2.gz RXAPWBIKJDWOCF-LBPRGKRZSA-N 1 0 239.363 0.729 10 0 BCAERO c1ccc(-n2nnnc2N[C@@H]2CCC[NH2+]C2)cc1 ZINC000071397628 183387953 /nfs/dbraw/zinc/38/79/53/183387953.db2.gz AWPWUVJQUSQOOZ-SNVBAGLBSA-N 1 0 244.302 0.826 10 0 BCAERO CCC[NH2+][C@H](CC[N@H+](C)CCCOC)C(=O)[O-] ZINC000062533702 169288728 /nfs/dbraw/zinc/28/87/28/169288728.db2.gz SCPGPOBQJPTDQF-LLVKDONJSA-N 1 0 246.351 0.798 10 0 BCAERO CCC[NH2+]C[C@H](O)CN1CCC[C@H](OCC)C1 ZINC000042421766 169263792 /nfs/dbraw/zinc/26/37/92/169263792.db2.gz PDSCRCFEIIPJMP-STQMWFEESA-N 1 0 244.379 0.848 10 0 BCAERO CCC[NH2+]Cc1nccn1CCC(=O)NCC ZINC000051761754 169269912 /nfs/dbraw/zinc/26/99/12/169269912.db2.gz SZRIYMROQHKENA-UHFFFAOYSA-N 1 0 238.335 0.909 10 0 BCAERO CCCNS(=O)(=O)C1CC[NH2+]CC1 ZINC000049631852 169270239 /nfs/dbraw/zinc/27/02/39/169270239.db2.gz VLLDKQZEOTUECP-UHFFFAOYSA-N 1 0 206.311 0.068 10 0 BCAERO CCCNS(=O)(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000160832402 169271414 /nfs/dbraw/zinc/27/14/14/169271414.db2.gz NSVCCMOVMBXYDM-ULKQDVFKSA-N 1 0 247.364 0.103 10 0 BCAERO CCC[NH2+][C@@H](C(N)=O)c1ccc2c(c1)OCO2 ZINC000037513882 169274020 /nfs/dbraw/zinc/27/40/20/169274020.db2.gz MMQSXPKIHZLVGC-LLVKDONJSA-N 1 0 236.271 0.941 10 0 BCAERO c1ccc(CN2C[C@H]3OCC[NH2+][C@H]3C2)cc1 ZINC000034453747 183403390 /nfs/dbraw/zinc/40/33/90/183403390.db2.gz YZXZJDHYABUGSH-QWHCGFSZSA-N 1 0 218.300 0.859 10 0 BCAERO CCC[NH2+][C@@H]1CCN(C2CCOCC2)C1=O ZINC000049648251 169281674 /nfs/dbraw/zinc/28/16/74/169281674.db2.gz HYCBKFGUJVNHDS-LLVKDONJSA-N 1 0 226.320 0.766 10 0 BCAERO CCCOCC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000195450671 169303199 /nfs/dbraw/zinc/30/31/99/169303199.db2.gz UHMHPHPFMYNNOV-NSHDSACASA-N 1 0 226.320 0.720 10 0 BCAERO CCCOCCO[C@@H](C)C(=O)N1CC[NH2+]CC1 ZINC000104239370 169309836 /nfs/dbraw/zinc/30/98/36/169309836.db2.gz CYSGMSHHHLHILI-NSHDSACASA-N 1 0 244.335 0.250 10 0 BCAERO CCCO[C@H]1CCCN(C(=O)[C@@H](C)[NH3+])C1 ZINC000040501356 169311728 /nfs/dbraw/zinc/31/17/28/169311728.db2.gz KQHQOCLIGOGHBS-ZJUUUORDSA-N 1 0 214.309 0.751 10 0 BCAERO CCCO[C@H]1CCCN(C(=O)[C@H](C)[NH3+])C1 ZINC000040501360 169312219 /nfs/dbraw/zinc/31/22/19/169312219.db2.gz KQHQOCLIGOGHBS-UWVGGRQHSA-N 1 0 214.309 0.751 10 0 BCAERO CCC[NH2+][C@]1(CO)COc2cc(O)ccc21 ZINC000038123168 169293912 /nfs/dbraw/zinc/29/39/12/169293912.db2.gz AAZOWFMDLKWKPL-GFCCVEGCSA-N 1 0 223.272 0.972 10 0 BCAERO CCCOc1ccc(C[NH3+])c(OCC(N)=O)c1 ZINC000035413906 169318824 /nfs/dbraw/zinc/31/88/24/169318824.db2.gz JRNRCDIOGSXVLD-UHFFFAOYSA-N 1 0 238.287 0.798 10 0 BCAERO CCCS(=O)(=O)N[C@@H]1CCCC[C@@H]1[NH3+] ZINC000038050025 169333443 /nfs/dbraw/zinc/33/34/43/169333443.db2.gz MFGIJQKRYVIDRK-DTWKUNHWSA-N 1 0 220.338 0.586 10 0 BCAERO c1cnc(N[C@H]2CO[C@]3(CC[NH2+]C3)C2)cn1 ZINC000096072734 183482691 /nfs/dbraw/zinc/48/26/91/183482691.db2.gz FKYRWFHMDUNESV-MWLCHTKSSA-N 1 0 220.276 0.410 10 0 BCAERO CCC[C@@H](C)NC(=O)CN1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000070078230 169367290 /nfs/dbraw/zinc/36/72/90/169367290.db2.gz CZVQERLOYIJMCR-UTUOFQBUSA-N 1 0 241.379 0.973 10 0 BCAERO CCC[C@@H](C)NC(=O)[C@@H](C)[NH2+]CC(=O)N(C)C ZINC000037208198 169368193 /nfs/dbraw/zinc/36/81/93/169368193.db2.gz QWXGIQCQUWJXTO-NXEZZACHSA-N 1 0 243.351 0.358 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)N(C)CC(=O)OCC ZINC000236890743 169387375 /nfs/dbraw/zinc/38/73/75/169387375.db2.gz LIJWIKYXQQWFLC-MRVPVSSYSA-N 1 0 216.281 0.135 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)N1CCC[C@H](CO)C1 ZINC000036873447 169387545 /nfs/dbraw/zinc/38/75/45/169387545.db2.gz BCPBORQAKNZQKZ-VHSXEESVSA-N 1 0 214.309 0.345 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)N1CCOC[C@H]1C ZINC000036873301 169387692 /nfs/dbraw/zinc/38/76/92/169387692.db2.gz QJNDARATJLAHDN-RKDXNWHRSA-N 1 0 200.282 0.361 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)N1CCN(C(C)C)CC1 ZINC000036873421 169387747 /nfs/dbraw/zinc/38/77/47/169387747.db2.gz QTKWZMSYCXKNDD-LLVKDONJSA-N 1 0 227.352 0.666 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)N1CCO[C@H](CC)C1 ZINC000036873327 169387947 /nfs/dbraw/zinc/38/79/47/169387947.db2.gz QDZYTUBOKATQIL-NXEZZACHSA-N 1 0 214.309 0.751 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)N1CCC[C@H](COC)C1 ZINC000225441723 169388007 /nfs/dbraw/zinc/38/80/07/169388007.db2.gz JEYHDMZJUWLVCH-WDEREUQCSA-N 1 0 228.336 0.999 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)NC1=NCCS1 ZINC000236934060 169388356 /nfs/dbraw/zinc/38/83/56/169388356.db2.gz GPMYTUIHHDHKLX-ZCFIWIBFSA-N 1 0 201.295 0.333 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)N(CC(N)=O)CC(C)C ZINC000037818963 169386870 /nfs/dbraw/zinc/38/68/70/169386870.db2.gz VCEWIEHRPMURAK-SECBINFHSA-N 1 0 229.324 0.084 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)N(C)CC(=O)N(CC)CC ZINC000037818077 169386901 /nfs/dbraw/zinc/38/69/01/169386901.db2.gz OPQPKPVTHNLXBF-SNVBAGLBSA-N 1 0 243.351 0.441 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)NCCCC(=O)NC1CC1 ZINC000092997322 169389812 /nfs/dbraw/zinc/38/98/12/169389812.db2.gz FCTMRVJCHUQCKS-SNVBAGLBSA-N 1 0 241.335 0.289 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)NC[C@@H](C)COC ZINC000041679464 169389959 /nfs/dbraw/zinc/38/99/59/169389959.db2.gz MKYRPOAEQDPELL-RKDXNWHRSA-N 1 0 202.298 0.513 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)NCCCC(=O)N(C)C ZINC000236941935 169388928 /nfs/dbraw/zinc/38/89/28/169388928.db2.gz KWHCRHSZBQOXFE-SECBINFHSA-N 1 0 229.324 0.098 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)NCC(C)(C)C(=O)OC ZINC000236937740 169388946 /nfs/dbraw/zinc/38/89/46/169388946.db2.gz RLGSBDPMBMFBFC-MRVPVSSYSA-N 1 0 230.308 0.429 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)NCC(C)(C)C(=O)NCC ZINC000236937714 169389008 /nfs/dbraw/zinc/38/90/08/169389008.db2.gz ABUDBKLTHOIPFU-SECBINFHSA-N 1 0 243.351 0.392 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)NCC[C@@H](O)CC ZINC000157446169 169389251 /nfs/dbraw/zinc/38/92/51/169389251.db2.gz YZHBHPUDTLBZCN-DTWKUNHWSA-N 1 0 202.298 0.391 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)N[C@H]1CCN(C(=O)CC)C1 ZINC000237002853 169392184 /nfs/dbraw/zinc/39/21/84/169392184.db2.gz VSYIYNZLTAGETI-VHSXEESVSA-N 1 0 241.335 0.241 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)Nc1cn(C)c(=O)cc1C ZINC000236792155 169392250 /nfs/dbraw/zinc/39/22/50/169392250.db2.gz DLZXCHJXWOUQHC-SECBINFHSA-N 1 0 237.303 0.760 10 0 BCAERO CC(C)(C)OC(=O)N1CC2(C1)C[NH2+]C[C@@H]2CO ZINC000091304410 166644592 /nfs/dbraw/zinc/64/45/92/166644592.db2.gz AKKICTYCRNCDKH-SECBINFHSA-N 1 0 242.319 0.435 10 0 BCAERO c1nc2c(ncnc2OCC2CC[NH2+]CC2)[nH]1 ZINC000051869694 183535321 /nfs/dbraw/zinc/53/53/21/183535321.db2.gz CTFUFIJSFSXGDR-UHFFFAOYSA-N 1 0 233.275 0.731 10 0 BCAERO CO[C@H](C)CN1CCO[C@H](C[NH+](C)C)C1 ZINC000182149428 134342546 /nfs/dbraw/zinc/34/25/46/134342546.db2.gz XAKYSVPEWTVBRA-GHMZBOCLSA-N 1 0 216.325 0.284 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N1CCC[C@@H](O)C1 ZINC000037507242 169500545 /nfs/dbraw/zinc/50/05/45/169500545.db2.gz DCONWMGUAQOISK-BDAKNGLRSA-N 1 0 200.282 0.097 10 0 BCAERO CCC[C@]1(C(=O)N2CCN(C)CC2)CC[NH2+]C1 ZINC000062887212 169555242 /nfs/dbraw/zinc/55/52/42/169555242.db2.gz WBAAITDUNHEIAH-ZDUSSCGKSA-N 1 0 239.363 0.540 10 0 BCAERO CC(C)(C)OC[C@@H](O)C[NH2+]C[C@@H]1COCCO1 ZINC000038061677 166684739 /nfs/dbraw/zinc/68/47/39/166684739.db2.gz WHHMHXOSNQQSMW-WDEREUQCSA-N 1 0 247.335 0.167 10 0 BCAERO CCN(C(=O)[C@H]1C[C@H](OC)C[NH2+]1)C1CC1 ZINC000042276788 169654657 /nfs/dbraw/zinc/65/46/57/169654657.db2.gz NVHMLOVODSMEDK-VHSXEESVSA-N 1 0 212.293 0.374 10 0 BCAERO CCN[C@]1(C(N)=O)CC[N@@H+]2CCC[C@@H]2C1 ZINC000156463888 383841449 /nfs/dbraw/zinc/84/14/49/383841449.db2.gz MSDRSACYXBPLIX-MWLCHTKSSA-N 1 0 211.309 0.078 10 0 BCAERO CC[C@H]1CCN(C(=O)[C@H]2C[NH2+]CCOC2)C1 ZINC000643734214 383873812 /nfs/dbraw/zinc/87/38/12/383873812.db2.gz YBRQGKWQHREWPR-QWRGUYRKSA-N 1 0 226.320 0.481 10 0 BCAERO CC[C@@H]1CCN(C(=O)[C@H]2C[NH2+]CCOC2)C1 ZINC000643734213 383875415 /nfs/dbraw/zinc/87/54/15/383875415.db2.gz YBRQGKWQHREWPR-MNOVXSKESA-N 1 0 226.320 0.481 10 0 BCAERO [NH3+]C[C@@H]1CCCN1CCOCC(F)(F)F ZINC000049311264 383886474 /nfs/dbraw/zinc/88/64/74/383886474.db2.gz XKIXIZBAIDZKMC-QMMMGPOBSA-N 1 0 226.242 0.988 10 0 BCAERO NC(=O)Cn1cc(CC[NH3+])c2ccc(F)cc21 ZINC000068576897 384000026 /nfs/dbraw/zinc/00/00/26/384000026.db2.gz RQNGMWZHVCZRPE-UHFFFAOYSA-N 1 0 235.262 0.767 10 0 BCAERO C[C@@H]1C[C@H](C)CN(C(=O)[C@@H]2C[NH2+]CCOC2)C1 ZINC000643614573 384016177 /nfs/dbraw/zinc/01/61/77/384016177.db2.gz CEPKNVADGACMKW-GRYCIOLGSA-N 1 0 240.347 0.727 10 0 BCAERO CCCCNC(=O)[C@@H]1C[NH2+]CCOC1 ZINC000643614809 384018544 /nfs/dbraw/zinc/01/85/44/384018544.db2.gz MEQMEKUYVUGTGQ-SECBINFHSA-N 1 0 200.282 0.139 10 0 BCAERO O=C(NC1CCCC1)[C@@H]1C[NH2+]CCOC1 ZINC000643616213 384005411 /nfs/dbraw/zinc/00/54/11/384005411.db2.gz OHBHYDSIZIDAQA-SECBINFHSA-N 1 0 212.293 0.281 10 0 BCAERO COC[C@@]1(C(=O)NC2CCCC2)CCC[NH2+]1 ZINC000643616270 384007676 /nfs/dbraw/zinc/00/76/76/384007676.db2.gz PQXRSHJMCXDEIZ-GFCCVEGCSA-N 1 0 226.320 0.814 10 0 BCAERO Cc1cnc(NC(=O)[C@H]2C[NH2+]CCOC2)s1 ZINC000643617271 384008952 /nfs/dbraw/zinc/00/89/52/384008952.db2.gz XECOYTCHTDWWAH-QMMMGPOBSA-N 1 0 241.316 0.626 10 0 BCAERO C[C@H]1CCCCN1C(=O)[C@H]1C[NH2+]CCOC1 ZINC000643616924 384009948 /nfs/dbraw/zinc/00/99/48/384009948.db2.gz LPXRTEZWEHYSNL-QWRGUYRKSA-N 1 0 226.320 0.623 10 0 BCAERO CO[C@@H]1CCC[C@@H]1NC(=O)C(C)(C)[NH3+] ZINC000050374005 384011134 /nfs/dbraw/zinc/01/11/34/384011134.db2.gz ZHURVGNKQBNDFM-JGVFFNPUSA-N 1 0 200.282 0.407 10 0 BCAERO C[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1C[NH2+]CCOC1 ZINC000643617152 384011163 /nfs/dbraw/zinc/01/11/63/384011163.db2.gz SDVOOGAPEAYNIQ-WOPDTQHZSA-N 1 0 240.347 0.917 10 0 BCAERO Cc1nnc(NC(=O)[C@H]2C[NH2+]CCOC2)s1 ZINC000643617523 384011476 /nfs/dbraw/zinc/01/14/76/384011476.db2.gz GMAGWRVSJBQKGV-ZETCQYMHSA-N 1 0 242.304 0.021 10 0 BCAERO Cc1cn[nH]c1C[NH2+]C[C@H]1CCC[C@@H]1O ZINC000289488088 384012438 /nfs/dbraw/zinc/01/24/38/384012438.db2.gz KSAVARLEAPTIIR-KOLCDFICSA-N 1 0 209.293 0.969 10 0 BCAERO CCCC(=O)N1C[C@@H](CO)[C@H]([NH+](C)C)C1 ZINC000257183140 384041813 /nfs/dbraw/zinc/04/18/13/384041813.db2.gz HFEUQICEVBVULS-VHSXEESVSA-N 1 0 214.309 0.167 10 0 BCAERO C[C@@H]1CCN(C(=O)[C@H]2C[NH2+]CCOC2)C[C@@H]1C ZINC000643779861 384061656 /nfs/dbraw/zinc/06/16/56/384061656.db2.gz UYQNXPQBWPTXAT-WOPDTQHZSA-N 1 0 240.347 0.727 10 0 BCAERO C[NH+](C)[C@H]1CC[C@H](NC(=O)N2CCOCC2)C1 ZINC000155944587 384062356 /nfs/dbraw/zinc/06/23/56/384062356.db2.gz ZGNXYXSRFXRDNR-QWRGUYRKSA-N 1 0 241.335 0.511 10 0 BCAERO COC(=O)c1ccc(NC(=O)[C@@H]2CCC[NH2+]2)nc1 ZINC000039073085 384100855 /nfs/dbraw/zinc/10/08/55/384100855.db2.gz CZKDSMUFUMCRPV-VIFPVBQESA-N 1 0 249.270 0.559 10 0 BCAERO CC[C@@H](C[NH3+])NC(=O)c1cnc(C)cn1 ZINC000039105692 384106915 /nfs/dbraw/zinc/10/69/15/384106915.db2.gz SQFVUVWFECZDTK-QMMMGPOBSA-N 1 0 208.265 0.252 10 0 BCAERO COC(=O)c1cc2c([nH]c1=O)CC[N@H+](C)C2 ZINC000072416062 384107798 /nfs/dbraw/zinc/10/77/98/384107798.db2.gz ZOZVTXBFJURBJQ-UHFFFAOYSA-N 1 0 222.244 0.149 10 0 BCAERO COC[C@]1(C(=O)N[C@@H]2CCSC2)CCC[NH2+]1 ZINC000643705373 384110309 /nfs/dbraw/zinc/11/03/09/384110309.db2.gz PPJNLXHDHRIARQ-KOLCDFICSA-N 1 0 244.360 0.377 10 0 BCAERO Cc1c(C(=O)CC[NH+](C)C)nnc2ccnn21 ZINC000072416273 384113209 /nfs/dbraw/zinc/11/32/09/384113209.db2.gz WHOMOWADCGJCGS-UHFFFAOYSA-N 1 0 233.275 0.567 10 0 BCAERO Cc1n[nH]cc1C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000070650123 384127954 /nfs/dbraw/zinc/12/79/54/384127954.db2.gz UZVQPLGBXGISBG-VIFPVBQESA-N 1 0 222.292 0.494 10 0 BCAERO C[C@H](C(N)=O)[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000116315013 384129389 /nfs/dbraw/zinc/12/93/89/384129389.db2.gz MFBIUARGAGEXKI-BDAKNGLRSA-N 1 0 222.292 0.083 10 0 BCAERO C[C@](N)(C[NH3+])C(=O)OCc1ccccc1 ZINC000071186630 384153356 /nfs/dbraw/zinc/15/33/56/384153356.db2.gz QZUBUZVBPCHFAG-NSHDSACASA-N 1 0 208.261 0.406 10 0 BCAERO CN(c1ccc(Cl)nn1)[C@H]1CC[NH2+]C1 ZINC000070897317 384138494 /nfs/dbraw/zinc/13/84/94/384138494.db2.gz XQJWCWHEDIFYRV-ZETCQYMHSA-N 1 0 212.684 0.928 10 0 BCAERO C[NH+](C)[C@H]1CCN(C(=O)c2cscn2)C1 ZINC000070916290 384141435 /nfs/dbraw/zinc/14/14/35/384141435.db2.gz QOLAYAGUAFMVTF-QMMMGPOBSA-N 1 0 225.317 0.919 10 0 BCAERO C[C@@H]1C[C@H]([NH2+][C@H]2CCC(=O)N[C@@H]2C)CO1 ZINC000401853793 384145561 /nfs/dbraw/zinc/14/55/61/384145561.db2.gz XXJNYNHVMKWRDC-IMSYWVGJSA-N 1 0 212.293 0.421 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)N(C)C[C@H]1CCC[C@H]1O ZINC000648167118 384158656 /nfs/dbraw/zinc/15/86/56/384158656.db2.gz ZVXPKCBMTVBGLY-IJLUTSLNSA-N 1 0 242.363 0.979 10 0 BCAERO CCC[C@](C)([NH3+])C(=O)N[C@@H](C)[C@@H](C)CO ZINC000163238530 384184526 /nfs/dbraw/zinc/18/45/26/384184526.db2.gz OQEGGCOCPVSMPN-QXEWZRGKSA-N 1 0 216.325 0.637 10 0 BCAERO Cn1ncc2c1ncnc2NCC1([NH3+])CCC1 ZINC000236111244 384183365 /nfs/dbraw/zinc/18/33/65/384183365.db2.gz YHMOCAORFKIBIL-UHFFFAOYSA-N 1 0 232.291 0.657 10 0 BCAERO CO[C@H]1C[NH2+]C[C@@H]1NC(=O)C(C)(C)C ZINC000036235947 384186439 /nfs/dbraw/zinc/18/64/39/384186439.db2.gz ZOMOFORZVGTENT-YUMQZZPRSA-N 1 0 200.282 0.136 10 0 BCAERO CS(=O)(=O)N[C@H]1CCCC[C@@H]1[NH2+]C1CCC1 ZINC000309863477 384187842 /nfs/dbraw/zinc/18/78/42/384187842.db2.gz NQEFOFMYQWENSW-QWRGUYRKSA-N 1 0 246.376 0.989 10 0 BCAERO CC[C@@H](COC)NC(=O)[C@]1(COC)CCC[NH2+]1 ZINC000643629090 384191315 /nfs/dbraw/zinc/19/13/15/384191315.db2.gz MNEWXSSYIVWHKX-CMPLNLGQSA-N 1 0 244.335 0.296 10 0 BCAERO CC[C@H](CCO)NC(=O)[C@@H]1CCC[NH2+]1 ZINC000163256621 384195795 /nfs/dbraw/zinc/19/57/95/384195795.db2.gz LVVJDHKHDJOQFD-BDAKNGLRSA-N 1 0 200.282 0.016 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N[C@H](CC)CCO ZINC000163258202 384196428 /nfs/dbraw/zinc/19/64/28/384196428.db2.gz VVEUTIPMJKEMOD-BDAKNGLRSA-N 1 0 202.298 0.391 10 0 BCAERO C[C@]1(NC(=O)[C@H]2CCC[C@@H]([NH3+])C2)CCOC1 ZINC000228293593 384216146 /nfs/dbraw/zinc/21/61/46/384216146.db2.gz XZBJLGIBISHMGG-UMNHJUIQSA-N 1 0 226.320 0.799 10 0 BCAERO COC(=O)[C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000082419188 384229034 /nfs/dbraw/zinc/22/90/34/384229034.db2.gz DJUQGIFHOVSPSS-QMMMGPOBSA-N 1 0 201.266 0.252 10 0 BCAERO COC[C@]1(C(=O)NCC2CCC2)CCC[NH2+]1 ZINC000643638977 384245653 /nfs/dbraw/zinc/24/56/53/384245653.db2.gz YUTBWWFPZURGPB-LBPRGKRZSA-N 1 0 226.320 0.671 10 0 BCAERO COCCN1CC[N@@H+]([C@@H](C)COC)C[C@@H]1C ZINC000173678903 384248146 /nfs/dbraw/zinc/24/81/46/384248146.db2.gz JFDLKMJITUNKMJ-RYUDHWBXSA-N 1 0 230.352 0.674 10 0 BCAERO COC[C@H](C)N1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000173676105 384254983 /nfs/dbraw/zinc/25/49/83/384254983.db2.gz GBXFRAUTIHVYKS-SDDRHHMPSA-N 1 0 230.352 0.408 10 0 BCAERO CC[C@H](COC)NC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000085013648 384262401 /nfs/dbraw/zinc/26/24/01/384262401.db2.gz FKKSAXCAMUOFJP-KXUCPTDWSA-N 1 0 214.309 0.655 10 0 BCAERO [NH3+][C@@H]1CC[C@@H](C(=O)NCc2ncc[nH]2)C1 ZINC000085013770 384262544 /nfs/dbraw/zinc/26/25/44/384262544.db2.gz WKWLVLBZZRFSPS-HTQZYQBOSA-N 1 0 208.265 0.153 10 0 BCAERO C[NH2+][C@H]1Cc2cccc3[nH]c(=O)n(c32)C1 ZINC000000007049 384272045 /nfs/dbraw/zinc/27/20/45/384272045.db2.gz RKZSNTNMEFVBDT-QMMMGPOBSA-N 1 0 203.245 0.474 10 0 in-vitro BCAERO CCO[C@@H]1CC2(CC[C@@H]1[NH2+]C)OCCO2 ZINC000044046426 384311842 /nfs/dbraw/zinc/31/18/42/384311842.db2.gz OCJBHLSVHKLVOO-VHSXEESVSA-N 1 0 215.293 0.907 10 0 BCAERO CCC[C@@H](C)N(C)C(=O)[C@@H]1C[NH2+]CCOC1 ZINC000643644735 384279232 /nfs/dbraw/zinc/27/92/32/384279232.db2.gz ZNISOGBJJILIBL-GHMZBOCLSA-N 1 0 228.336 0.869 10 0 BCAERO CCCCNC(=O)CN1C[C@H](C)[C@H]([NH3+])C1 ZINC000300047992 384284704 /nfs/dbraw/zinc/28/47/04/384284704.db2.gz GLYQJKIRYFEBDE-VHSXEESVSA-N 1 0 213.325 0.182 10 0 BCAERO Cc1c(CN(C)C2CC([NH3+])C2)cnn1C ZINC000335479716 384297937 /nfs/dbraw/zinc/29/79/37/384297937.db2.gz WTOVGRMXDLKXCX-UHFFFAOYSA-N 1 0 208.309 0.650 10 0 BCAERO Cc1nc(N)nc(NC[C@H]2CCC[C@H]2O)n1 ZINC000304437403 384297919 /nfs/dbraw/zinc/29/79/19/384297919.db2.gz HISNNGOVKRNTGF-HTQZYQBOSA-N 1 0 223.280 0.335 10 0 BCAERO CC[C@H](O)C[NH+]1CCN(CCCCOC)CC1 ZINC000174081519 384301062 /nfs/dbraw/zinc/30/10/62/384301062.db2.gz BQLCOSCHEHEWQQ-ZDUSSCGKSA-N 1 0 244.379 0.802 10 0 BCAERO Cc1ccnc(N(C)C2CC[NH2+]CC2)n1 ZINC000095070646 384336300 /nfs/dbraw/zinc/33/63/00/384336300.db2.gz MZHMKWMDGWWZFA-UHFFFAOYSA-N 1 0 206.293 0.973 10 0 BCAERO CN(CC(=O)c1ccccn1)[C@@H]1CCC[NH2+]C1 ZINC000095070698 384336993 /nfs/dbraw/zinc/33/69/93/384336993.db2.gz IKNHKDALWJIOTA-LLVKDONJSA-N 1 0 233.315 0.948 10 0 BCAERO O=[S@@](c1cc(Cl)ncn1)[C@H]1CC[NH2+]C1 ZINC000095070419 384337001 /nfs/dbraw/zinc/33/70/01/384337001.db2.gz ZLMHYQBGYDWIGI-MDAAJZPYSA-N 1 0 231.708 0.600 10 0 BCAERO Clc1nccc(CN[C@H]2CC[NH2+]C2)n1 ZINC000095070299 384337234 /nfs/dbraw/zinc/33/72/34/384337234.db2.gz LOWBPFCLJBFDSR-ZETCQYMHSA-N 1 0 212.684 0.582 10 0 BCAERO O=[S@](C[C@H]1CC[NH2+]C1)c1cc(Cl)ncn1 ZINC000095070441 384337247 /nfs/dbraw/zinc/33/72/47/384337247.db2.gz XKEOOPJNBARLJW-ZIDLFYJRSA-N 1 0 245.735 0.847 10 0 BCAERO CN(C[C@H]1CCC[NH2+]C1)c1ncccn1 ZINC000095071095 384338685 /nfs/dbraw/zinc/33/86/85/384338685.db2.gz MMGJKIZFVQZRMN-JTQLQIEISA-N 1 0 206.293 0.912 10 0 BCAERO CN(CC(=O)c1cnccn1)C[C@@H]1CCCC[NH2+]1 ZINC000095070860 384339272 /nfs/dbraw/zinc/33/92/72/384339272.db2.gz WRWXKYPTDNIQKG-NSHDSACASA-N 1 0 248.330 0.733 10 0 BCAERO CN(C[C@H]1CC[NH2+]C1)c1ncccc1O ZINC000095071233 384339560 /nfs/dbraw/zinc/33/95/60/384339560.db2.gz QDCGAOMJLGBEFY-VIFPVBQESA-N 1 0 207.277 0.833 10 0 BCAERO COc1nccnc1CN1CCC[C@H]1C[NH3+] ZINC000095071614 384340757 /nfs/dbraw/zinc/34/07/57/384340757.db2.gz AMRJWZLKFUJSKL-VIFPVBQESA-N 1 0 222.292 0.408 10 0 BCAERO COc1nccnc1CN(C)[C@@H]1CC[NH2+]C1 ZINC000095071585 384341035 /nfs/dbraw/zinc/34/10/35/384341035.db2.gz AOOYZAPUKBLOSS-SECBINFHSA-N 1 0 222.292 0.279 10 0 BCAERO CSc1nccnc1CN1CC[NH2+]C[C@H]1C ZINC000095071923 384341451 /nfs/dbraw/zinc/34/14/51/384341451.db2.gz DJGKAWPDIOOEKO-SECBINFHSA-N 1 0 238.360 0.992 10 0 BCAERO [NH3+][C@H]1CCN(CC(=O)c2ccccn2)C1 ZINC000095072152 384341578 /nfs/dbraw/zinc/34/15/78/384341578.db2.gz SIBPXTAUARLUHY-VIFPVBQESA-N 1 0 205.261 0.297 10 0 BCAERO Nc1nc2ccccc2nc1N1CC[C@H](C[NH3+])C1 ZINC000095072671 384343066 /nfs/dbraw/zinc/34/30/66/384343066.db2.gz WPGBRCOGPKZVRF-SECBINFHSA-N 1 0 243.314 0.997 10 0 BCAERO O=C(COC[C@H]1CC[NH2+]C1)c1nccs1 ZINC000095072904 384345048 /nfs/dbraw/zinc/34/50/48/384345048.db2.gz ZYIMFAAIGAVYSM-QMMMGPOBSA-N 1 0 226.301 0.952 10 0 BCAERO O=C(CN[C@H]1CCC[NH2+]C1)c1cnccn1 ZINC000095072750 384345137 /nfs/dbraw/zinc/34/51/37/384345137.db2.gz QNDMZDYJTNFJBR-VIFPVBQESA-N 1 0 220.276 0.001 10 0 BCAERO O=S(=O)(c1nccs1)[C@H]1CC[NH2+]C1 ZINC000095073043 384345583 /nfs/dbraw/zinc/34/55/83/384345583.db2.gz ZZTKQDWULPVFSS-LURJTMIESA-N 1 0 218.303 0.279 10 0 BCAERO O=C(CNC[C@H]1CC[NH2+]C1)c1nccs1 ZINC000095072814 384345625 /nfs/dbraw/zinc/34/56/25/384345625.db2.gz UPZXEYOSRJCUFB-QMMMGPOBSA-N 1 0 225.317 0.525 10 0 BCAERO O=C(COC[C@H]1CCCC[NH2+]1)c1cnccn1 ZINC000095072866 384346592 /nfs/dbraw/zinc/34/65/92/384346592.db2.gz MXMZTIOBZQMINE-SNVBAGLBSA-N 1 0 235.287 0.818 10 0 BCAERO O=[S@@](c1ncccn1)[C@@H]1CCC[NH2+]C1 ZINC000095073387 384347191 /nfs/dbraw/zinc/34/71/91/384347191.db2.gz JBXDAHZPRGFCJE-CLAHSXSESA-N 1 0 211.290 0.336 10 0 BCAERO O=S(=O)(C[C@@H]1CC[NH2+]C1)c1nccs1 ZINC000095073241 384348110 /nfs/dbraw/zinc/34/81/10/384348110.db2.gz MSUQQKTYGIBIBD-SSDOTTSWSA-N 1 0 232.330 0.526 10 0 BCAERO O=S(=O)(CC1CC[NH2+]CC1)c1cnccn1 ZINC000095073262 384348270 /nfs/dbraw/zinc/34/82/70/384348270.db2.gz XXVYHUHNSHWNGO-UHFFFAOYSA-N 1 0 241.316 0.250 10 0 BCAERO O=S(=O)(Cc1cncs1)C[C@@H]1CCC[NH2+]1 ZINC000095073195 384348455 /nfs/dbraw/zinc/34/84/55/384348455.db2.gz WZZHYDAAJOWKHX-QMMMGPOBSA-N 1 0 246.357 0.810 10 0 BCAERO C[C@H]1C[C@@H](O)C[N@H+](CCc2cnn(C)c2)C1 ZINC000335585897 384349066 /nfs/dbraw/zinc/34/90/66/384349066.db2.gz GIKLPLIMRIXRHE-CMPLNLGQSA-N 1 0 223.320 0.665 10 0 BCAERO O=S(=O)(C[C@@H]1CCC[NH2+]C1)c1ccccn1 ZINC000095073201 384348951 /nfs/dbraw/zinc/34/89/51/384348951.db2.gz KUYLRFUTGHHKMW-SNVBAGLBSA-N 1 0 240.328 0.855 10 0 BCAERO O=[S@](C[C@H]1CC[NH2+]C1)c1cnccn1 ZINC000095073667 384350908 /nfs/dbraw/zinc/35/09/08/384350908.db2.gz IBBJDPQFXKIBKF-RTHLEPHNSA-N 1 0 211.290 0.194 10 0 BCAERO O=[S@@](C[C@@H]1CC[NH2+]C1)c1cnccn1 ZINC000095073664 384351387 /nfs/dbraw/zinc/35/13/87/384351387.db2.gz IBBJDPQFXKIBKF-XLKFXECMSA-N 1 0 211.290 0.194 10 0 BCAERO [NH3+][C@@H]1CCCC[C@H]1NCc1cnccn1 ZINC000095077422 384353325 /nfs/dbraw/zinc/35/33/25/384353325.db2.gz USLRCNKDBAAJRH-GHMZBOCLSA-N 1 0 206.293 0.836 10 0 BCAERO [NH3+]C[C@@H]1CC[C@]2(CC[N@H+](CC(=O)[O-])C2)C1 ZINC000095077541 384353791 /nfs/dbraw/zinc/35/37/91/384353791.db2.gz JUOYGIFQPIJBAF-KOLCDFICSA-N 1 0 212.293 0.522 10 0 BCAERO C[C@H]1C[C@@H](O)C[N@H+](CCc2ccnn2C)C1 ZINC000335590486 384354074 /nfs/dbraw/zinc/35/40/74/384354074.db2.gz OKSBDEKTTTYKOF-CMPLNLGQSA-N 1 0 223.320 0.665 10 0 BCAERO C[C@H]1[C@H](O)CCC[N@@H+]1CC(=O)NC1CCCC1 ZINC000335597231 384362339 /nfs/dbraw/zinc/36/23/39/384362339.db2.gz QTKHZAPZNSKHBW-CMPLNLGQSA-N 1 0 240.347 0.890 10 0 BCAERO C[C@H]1[C@H](O)CCC[N@@H+]1CC(=O)N1CCCC1 ZINC000335596266 384363685 /nfs/dbraw/zinc/36/36/85/384363685.db2.gz HFCYMIYTXUERFA-WDEREUQCSA-N 1 0 226.320 0.454 10 0 BCAERO CC(C)(C)OC(=O)NCC[NH2+]CCOCCO ZINC000134535776 384363858 /nfs/dbraw/zinc/36/38/58/384363858.db2.gz HVTURBAKRQAZQY-UHFFFAOYSA-N 1 0 248.323 0.110 10 0 BCAERO CC[C@H](NC(=O)[C@@H]1C[NH2+]CCOC1)C(C)C ZINC000643658042 384372889 /nfs/dbraw/zinc/37/28/89/384372889.db2.gz NMKHMSOYYUSSDA-MNOVXSKESA-N 1 0 228.336 0.773 10 0 BCAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H](C)OC ZINC000168809285 384323955 /nfs/dbraw/zinc/32/39/55/384323955.db2.gz SPZOGVBSFHNJGT-GHMZBOCLSA-N 1 0 228.336 0.964 10 0 BCAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@@H](C)OC ZINC000168809383 384323982 /nfs/dbraw/zinc/32/39/82/384323982.db2.gz SPZOGVBSFHNJGT-MNOVXSKESA-N 1 0 228.336 0.964 10 0 BCAERO CCCCOCCNC(=O)[C@H]1C[NH2+]CCOC1 ZINC000643649712 384325459 /nfs/dbraw/zinc/32/54/59/384325459.db2.gz DXCHVRINMPTKDW-NSHDSACASA-N 1 0 244.335 0.155 10 0 BCAERO C[C@@H](NC[C@@H]1CC[NH2+]C1)c1cnccn1 ZINC000095068393 384330040 /nfs/dbraw/zinc/33/00/40/384330040.db2.gz MVYNNZSHJREIMY-NXEZZACHSA-N 1 0 206.293 0.737 10 0 BCAERO C[C@@H](NC1CC[NH2+]CC1)c1cnccn1 ZINC000095068331 384330281 /nfs/dbraw/zinc/33/02/81/384330281.db2.gz ZORKNYKXFXZSJU-SECBINFHSA-N 1 0 206.293 0.879 10 0 BCAERO Cc1ccc([S@@](=O)C[C@H]2CC[NH2+]C2)nn1 ZINC000095069131 384331757 /nfs/dbraw/zinc/33/17/57/384331757.db2.gz HJXOZCYTXBZQFH-BJOHPYRUSA-N 1 0 225.317 0.502 10 0 BCAERO Cc1cc(C)nc([S@](=O)C[C@@H]2CC[NH2+]C2)n1 ZINC000095068893 384331843 /nfs/dbraw/zinc/33/18/43/384331843.db2.gz WHRDKKZIUHUKCV-HWPZZCPQSA-N 1 0 239.344 0.811 10 0 BCAERO Cc1ccc([S@](=O)[C@@H]2CC[NH2+]C2)nn1 ZINC000095069108 384332292 /nfs/dbraw/zinc/33/22/92/384332292.db2.gz MEDJMWRAFSCZSO-CLAHSXSESA-N 1 0 211.290 0.255 10 0 BCAERO Cc1ccnc(S(=O)(=O)C[C@@H]2CC[NH2+]C2)c1 ZINC000095069179 384332386 /nfs/dbraw/zinc/33/23/86/384332386.db2.gz HXWOQLKTDBGMER-SNVBAGLBSA-N 1 0 240.328 0.773 10 0 BCAERO Cc1cc(C)nc([S@@](=O)[C@H]2CC[NH2+]C2)n1 ZINC000095068872 384332844 /nfs/dbraw/zinc/33/28/44/384332844.db2.gz GGCCGANWLQMBDQ-BJOHPYRUSA-N 1 0 225.317 0.563 10 0 BCAERO Cc1cc(C)nc([S@@](=O)C[C@@H]2CCC[NH2+]2)n1 ZINC000095068884 384332869 /nfs/dbraw/zinc/33/28/69/384332869.db2.gz CFQRMPHATQKNOT-MGPLVRAMSA-N 1 0 239.344 0.953 10 0 BCAERO Cc1cc(C)nc([S@](=O)[C@@H]2CCC[NH2+]C2)n1 ZINC000095068875 384332915 /nfs/dbraw/zinc/33/29/15/384332915.db2.gz FKAADUISTFEGNT-HWPZZCPQSA-N 1 0 239.344 0.953 10 0 BCAERO C[C@H]1CN(c2ccnc(Cl)n2)CC[NH2+]1 ZINC000095069506 384334248 /nfs/dbraw/zinc/33/42/48/384334248.db2.gz IROVHALMIFMDJN-ZETCQYMHSA-N 1 0 212.684 0.928 10 0 BCAERO CN1C(=O)c2ccccc2O[C@H]2C[NH2+]C[C@H]21 ZINC000514288015 384404171 /nfs/dbraw/zinc/40/41/71/384404171.db2.gz KSBFJCAIQGWVDL-KOLCDFICSA-N 1 0 218.256 0.491 10 0 biogenic,in-vitro BCAERO Cc1cccc(C)c1N1CCN(CC(N)=O)CC1 ZINC000095934253 384412546 /nfs/dbraw/zinc/41/25/46/384412546.db2.gz YLOYZTQPRRAEGU-UHFFFAOYSA-N 1 0 247.342 0.911 10 0 BCAERO COC[C@H]([NH3+])C(=O)NCCc1ccccc1C ZINC000160015709 384378354 /nfs/dbraw/zinc/37/83/54/384378354.db2.gz XQNMVJROWZWPDY-LBPRGKRZSA-N 1 0 236.315 0.627 10 0 BCAERO Cc1c(C[NH2+]CCCOCCO)cnn1C ZINC000134667514 384378382 /nfs/dbraw/zinc/37/83/82/384378382.db2.gz FAWQWJHOKYHSFU-UHFFFAOYSA-N 1 0 227.308 0.217 10 0 BCAERO COc1c(C[NH2+]C[C@@H](O)C(C)C)c(C)nn1C ZINC000134699892 384379293 /nfs/dbraw/zinc/37/92/93/384379293.db2.gz ALJOGLMCCVDZMC-LLVKDONJSA-N 1 0 241.335 0.844 10 0 BCAERO Cn1cc(C[NH2+]C[C@@H]2CCC[C@H]2O)nn1 ZINC000084225843 384379229 /nfs/dbraw/zinc/37/92/29/384379229.db2.gz GYMOPLFYKUKTST-WCBMZHEXSA-N 1 0 210.281 0.066 10 0 BCAERO CNc1ncccc1C(=O)NCCC[NH+](C)C ZINC000047915248 384470554 /nfs/dbraw/zinc/47/05/54/384470554.db2.gz CFCPHYOSJXMPDL-UHFFFAOYSA-N 1 0 236.319 0.805 10 0 BCAERO CCO[C@@H]1CC2(CC[C@H]1[NH2+]C)OCCO2 ZINC000044046434 384483510 /nfs/dbraw/zinc/48/35/10/384483510.db2.gz OCJBHLSVHKLVOO-NXEZZACHSA-N 1 0 215.293 0.907 10 0 BCAERO Cn1cncc1C[NH2+]C[C@@H]1CCC[C@@H]1O ZINC000085169715 384509585 /nfs/dbraw/zinc/50/95/85/384509585.db2.gz SFDSFLSICFGVQL-ONGXEEELSA-N 1 0 209.293 0.671 10 0 BCAERO O=C(C[N@H+]1CC[C@H](CCO)C1)N1CCCC1 ZINC000161626696 384511373 /nfs/dbraw/zinc/51/13/73/384511373.db2.gz IQWVPKMCDLGWNR-LLVKDONJSA-N 1 0 226.320 0.313 10 0 BCAERO CS(=O)(=O)[C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000054930031 384512878 /nfs/dbraw/zinc/51/28/78/384512878.db2.gz DVNJRRQVEOJEQP-NXEZZACHSA-N 1 0 211.286 0.656 10 0 BCAERO COC(=O)[C@@H]1CCC[N@H+](Cc2ccnn2C)C1 ZINC000123248299 384542837 /nfs/dbraw/zinc/54/28/37/384542837.db2.gz SKZJSAHAVGKPHU-SNVBAGLBSA-N 1 0 237.303 0.805 10 0 BCAERO CC(C)NC(=O)C[NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000085631604 384550398 /nfs/dbraw/zinc/55/03/98/384550398.db2.gz VTWQCOIGKQLDOB-DLOVCJGASA-N 1 0 240.347 0.914 10 0 BCAERO Cc1cc2c(N(C)CCOCC[NH3+])nccn2n1 ZINC000305954006 384558207 /nfs/dbraw/zinc/55/82/07/384558207.db2.gz DIMSBYYMEXRKJT-UHFFFAOYSA-N 1 0 249.318 0.449 10 0 BCAERO OCC[C@H]1CC[N@H+](CCOC[C@H]2CCCO2)C1 ZINC000525638545 384561158 /nfs/dbraw/zinc/56/11/58/384561158.db2.gz QNWXGAOYEZGNTG-CHWSQXEVSA-N 1 0 243.347 0.886 10 0 BCAERO CC[C@@H](CCO)NC(=O)[C@@H]1CCC[NH2+]1 ZINC000163256500 384570709 /nfs/dbraw/zinc/57/07/09/384570709.db2.gz LVVJDHKHDJOQFD-IUCAKERBSA-N 1 0 200.282 0.016 10 0 BCAERO CC(C)(C)C(=O)NCC(=O)N1CCC[C@H]1C[NH3+] ZINC000236776459 384574886 /nfs/dbraw/zinc/57/48/86/384574886.db2.gz MLLVYBVRSHJWBW-VIFPVBQESA-N 1 0 241.335 0.098 10 0 BCAERO CC(C)(O)C[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC000517922839 384578441 /nfs/dbraw/zinc/57/84/41/384578441.db2.gz VBDLFZBQTRSRPA-UHFFFAOYSA-N 1 0 235.349 0.172 10 0 BCAERO C[C@H]1C[C@@H](O)C[N@H+](CC(=O)NC(C)(C)C)C1 ZINC000334825209 384580262 /nfs/dbraw/zinc/58/02/62/384580262.db2.gz FOKCUXVRQMHSGA-VHSXEESVSA-N 1 0 228.336 0.604 10 0 BCAERO CCC[C@H]([NH3+])C(=O)NCCCc1c[nH]nc1C ZINC000050183136 384603770 /nfs/dbraw/zinc/60/37/70/384603770.db2.gz NKRCUWCZGPODDC-NSHDSACASA-N 1 0 238.335 0.894 10 0 BCAERO C[C@H](CO)N(C)C(=O)N[C@H]1CC[C@@H]([NH+](C)C)C1 ZINC000338668803 384605018 /nfs/dbraw/zinc/60/50/18/384605018.db2.gz OLIRAVOCKUGEAX-OUAUKWLOSA-N 1 0 243.351 0.491 10 0 BCAERO CO[C@@H]1C[C@H](CO)[N@H+](C[C@@H](O)C(C)(C)C)C1 ZINC000309785333 384607590 /nfs/dbraw/zinc/60/75/90/384607590.db2.gz SKDNCGHJTFWXTI-GMTAPVOTSA-N 1 0 231.336 0.475 10 0 BCAERO CC[N@H+](CCNC(=O)[C@@H](C)COC)C1CC1 ZINC000103521443 384628241 /nfs/dbraw/zinc/62/82/41/384628241.db2.gz OELOVLHLMYULBI-JTQLQIEISA-N 1 0 228.336 0.869 10 0 BCAERO C[C@H](C[NH2+]C[C@@H]1CCCC[C@@H]1O)S(C)(=O)=O ZINC000647527939 384592818 /nfs/dbraw/zinc/59/28/18/384592818.db2.gz ZGAIGWJYOFFKLJ-VWYCJHECSA-N 1 0 249.376 0.560 10 0 BCAERO C[C@H]1NC(=O)CC[C@@H]1[NH2+]Cc1cnn(C)c1 ZINC000309769874 384598956 /nfs/dbraw/zinc/59/89/56/384598956.db2.gz KFFYISYFIYBSNV-SCZZXKLOSA-N 1 0 222.292 0.177 10 0 BCAERO COc1ccccc1[C@@]1(CO)CC[NH2+]C1 ZINC000259231382 384648112 /nfs/dbraw/zinc/64/81/12/384648112.db2.gz DHAVDJJCTMBLIL-LBPRGKRZSA-N 1 0 207.273 0.919 10 0 BCAERO CO[C@H]1C[NH2+][C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000041058775 384654527 /nfs/dbraw/zinc/65/45/27/384654527.db2.gz MEJMFLDMERFNEI-HTQZYQBOSA-N 1 0 208.265 0.732 10 0 BCAERO COC[C@H](C)C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000104184480 384654578 /nfs/dbraw/zinc/65/45/78/384654578.db2.gz WBRZTXHVTXYWDU-UWVGGRQHSA-N 1 0 214.309 0.337 10 0 BCAERO Cc1c(C[NH2+]C[C@H]2CCOC2)cnn1C ZINC000086551969 384661638 /nfs/dbraw/zinc/66/16/38/384661638.db2.gz ABCMZJNPJKSCAZ-SNVBAGLBSA-N 1 0 209.293 0.855 10 0 BCAERO Cc1c(C[NH2+]C[C@H](C)N(C)C)cnn1C ZINC000086551985 384662363 /nfs/dbraw/zinc/66/23/63/384662363.db2.gz NBTWBKSLTWGLSS-VIFPVBQESA-N 1 0 210.325 0.768 10 0 BCAERO O=C1NC[C@@H](C[N@@H+](CCO)C2CCCCC2)O1 ZINC000049957292 384689662 /nfs/dbraw/zinc/68/96/62/384689662.db2.gz OGSDAMASLDRBDZ-NSHDSACASA-N 1 0 242.319 0.722 10 0 BCAERO CCC[C@H]([NH3+])C(=O)NC[C@@H](C)Cn1cccn1 ZINC000236864842 384690253 /nfs/dbraw/zinc/69/02/53/384690253.db2.gz FNVVQIFKIFBKNZ-MNOVXSKESA-N 1 0 238.335 0.763 10 0 BCAERO COC(=O)C[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1CC(O)C2 ZINC000082597813 384696696 /nfs/dbraw/zinc/69/66/96/384696696.db2.gz ZHTRQBQOFXTKEL-NFLHVTIKSA-N 1 0 227.304 0.926 10 0 BCAERO COC[C@@]1(C(=O)N(C)[C@@H]2CCOC2)CCC[NH2+]1 ZINC000643680190 384710826 /nfs/dbraw/zinc/71/08/26/384710826.db2.gz GRIXJDGXXFQTPU-ZYHUDNBSSA-N 1 0 242.319 0.002 10 0 BCAERO CC(C)[C@@H](O)C[N@@H+]1CC[C@@H](CCO)C1 ZINC000300931508 384720475 /nfs/dbraw/zinc/72/04/75/384720475.db2.gz WEDGETRLXDQVIQ-QWRGUYRKSA-N 1 0 201.310 0.708 10 0 BCAERO Cc1c(C[NH2+][C@H]2CCC(=O)N[C@@H]2C)cnn1C ZINC000282537865 384735360 /nfs/dbraw/zinc/73/53/60/384735360.db2.gz ZLUXQHAWFMZKRU-KCJUWKMLSA-N 1 0 236.319 0.485 10 0 BCAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)N[C@@H]1C[C@H]2C[C@H]2C1 ZINC000644199847 384751054 /nfs/dbraw/zinc/75/10/54/384751054.db2.gz FKQAWQCYLKZNMJ-NZFPMDFQSA-N 1 0 223.320 0.916 10 0 BCAERO Cc1cc(C[N@@H+]2C[C@H](C)C[C@@H](O)C2)n(C)n1 ZINC000334926194 384756665 /nfs/dbraw/zinc/75/66/65/384756665.db2.gz OJZCEONJXYERSL-BXKDBHETSA-N 1 0 223.320 0.931 10 0 BCAERO C[C@H](CO)[C@H](C)[NH2+]C[C@H](O)C(C)(C)C ZINC000308507839 384772290 /nfs/dbraw/zinc/77/22/90/384772290.db2.gz APQNAIXZWXHCIZ-UTLUCORTSA-N 1 0 203.326 1.000 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)N1CC[C@@H]2OCC[C@@H]2C1 ZINC000648195688 384815874 /nfs/dbraw/zinc/81/58/74/384815874.db2.gz QHPUIOXICATSPK-UTUOFQBUSA-N 1 0 240.347 0.997 10 0 BCAERO C[C@H](O)CCC[N@@H+]1CC[C@H](CCO)C1 ZINC000308587149 384824563 /nfs/dbraw/zinc/82/45/63/384824563.db2.gz SNZBHFUKXCWCGN-WDEREUQCSA-N 1 0 201.310 0.852 10 0 BCAERO COC[C@@]1(C(=O)N2CCC[C@@H]2C)CCC[NH2+]1 ZINC000643688879 384826504 /nfs/dbraw/zinc/82/65/04/384826504.db2.gz MXGKQUATOUBWGN-CMPLNLGQSA-N 1 0 226.320 0.766 10 0 BCAERO COC[C@]1(C(=O)N2CCC[C@@H]2C)CCC[NH2+]1 ZINC000643688880 384827051 /nfs/dbraw/zinc/82/70/51/384827051.db2.gz MXGKQUATOUBWGN-JQWIXIFHSA-N 1 0 226.320 0.766 10 0 BCAERO CS(=O)(=O)Cc1nc2c(s1)C[NH2+]CC2 ZINC000053335550 384782651 /nfs/dbraw/zinc/78/26/51/384782651.db2.gz GANQLAIHFVBBAZ-UHFFFAOYSA-N 1 0 232.330 0.333 10 0 BCAERO COC[C@@]1(C(=O)NCC(F)F)CCC[NH2+]1 ZINC000643689062 384835976 /nfs/dbraw/zinc/83/59/76/384835976.db2.gz SMTATKNMYNICSN-SECBINFHSA-N 1 0 222.235 0.136 10 0 BCAERO COC(=O)C(=O)NCC(C)(C)C1CC[NH2+]CC1 ZINC000616571485 384786240 /nfs/dbraw/zinc/78/62/40/384786240.db2.gz LPMOFZUBLBVAOE-UHFFFAOYSA-N 1 0 242.319 0.301 10 0 BCAERO CC(C)(C)CNC(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000131251446 384791661 /nfs/dbraw/zinc/79/16/61/384791661.db2.gz IKABYPXDVLAWLW-UHFFFAOYSA-N 1 0 241.379 0.833 10 0 BCAERO C[C@@H]([NH2+]C(CO)CO)c1cccs1 ZINC000083690162 384792347 /nfs/dbraw/zinc/79/23/47/384792347.db2.gz VCYOXZXRFMIITK-SSDOTTSWSA-N 1 0 201.291 0.752 10 0 BCAERO C[C@H]([NH2+]C(CO)CO)c1ccccc1F ZINC000083692971 384794330 /nfs/dbraw/zinc/79/43/30/384794330.db2.gz CCGUPUUHCQZDPT-QMMMGPOBSA-N 1 0 213.252 0.830 10 0 BCAERO CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@H](O)C(C)C ZINC000163400020 384805369 /nfs/dbraw/zinc/80/53/69/384805369.db2.gz FXEDPIFNRGXFOQ-GUBZILKMSA-N 1 0 216.325 0.493 10 0 BCAERO CS(=O)(=O)c1ccc([C@H]([NH3+])CO)cc1 ZINC000072198258 384812369 /nfs/dbraw/zinc/81/23/69/384812369.db2.gz VOUMOWIBXBPBRZ-SECBINFHSA-N 1 0 215.274 0.082 10 0 BCAERO C[C@@H](CO)NC(=O)[C@]1(C)CCC[C@@H]1[NH3+] ZINC000134929864 384837063 /nfs/dbraw/zinc/83/70/63/384837063.db2.gz JPNVGIMDGZGNSX-OYNCUSHFSA-N 1 0 200.282 0.001 10 0 BCAERO Nc1ccccc1OCc1nnc(CC[NH3+])[nH]1 ZINC000072237479 384840404 /nfs/dbraw/zinc/84/04/04/384840404.db2.gz DWYVXXMEHMBICV-UHFFFAOYSA-N 1 0 233.275 0.467 10 0 BCAERO CO[C@H]1C[C@H](CO)[N@H+](CCc2ccccn2)C1 ZINC000310109603 384841805 /nfs/dbraw/zinc/84/18/05/384841805.db2.gz DYMDPPHWXRUJSP-OLZOCXBDSA-N 1 0 236.315 0.706 10 0 BCAERO CC[C@](C)(O)C[N@H+](C)CCOCCO ZINC000301053507 384845514 /nfs/dbraw/zinc/84/55/14/384845514.db2.gz YJPUSDNVVDCUJL-JTQLQIEISA-N 1 0 205.298 0.088 10 0 BCAERO CCOCCO[C@@H](C)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000236933350 384854487 /nfs/dbraw/zinc/85/44/87/384854487.db2.gz QFKCQYUCLJNEHL-WDEREUQCSA-N 1 0 244.335 0.378 10 0 BCAERO C[C@H](O)[C@H]1CCC[N@H+](C[C@H]2CNC(=O)O2)C1 ZINC000497198186 384859052 /nfs/dbraw/zinc/85/90/52/384859052.db2.gz WDOBFMNHPQDLLD-LPEHRKFASA-N 1 0 228.292 0.188 10 0 BCAERO [NH3+]CCCNc1cc(NC2CC2)ncn1 ZINC000258947854 384950913 /nfs/dbraw/zinc/95/09/13/384950913.db2.gz LKGPHXDOYRAPLM-UHFFFAOYSA-N 1 0 207.281 0.812 10 0 BCAERO Cc1cncc(CN2CC[C@H]3OCC[NH2+][C@@H]3C2)c1 ZINC000404179479 384952477 /nfs/dbraw/zinc/95/24/77/384952477.db2.gz BONARVCICRPGBW-ZIAGYGMSSA-N 1 0 247.342 0.953 10 0 BCAERO Cc1nccc(N2CC[C@H]3OCC[NH2+][C@H]3C2)n1 ZINC000404081460 384895978 /nfs/dbraw/zinc/89/59/78/384895978.db2.gz SMWAOQFOEMREFA-WDEREUQCSA-N 1 0 234.303 0.352 10 0 BCAERO Cc1nccc(N2CC[C@@H]3OCC[NH2+][C@@H]3C2)n1 ZINC000404081453 384896546 /nfs/dbraw/zinc/89/65/46/384896546.db2.gz SMWAOQFOEMREFA-MNOVXSKESA-N 1 0 234.303 0.352 10 0 BCAERO CC1(C)C[C@H]1CNC(=O)[C@@H]1C[NH2+]CCOC1 ZINC000643694029 384902770 /nfs/dbraw/zinc/90/27/70/384902770.db2.gz GKCISTQXHHZGGR-ZJUUUORDSA-N 1 0 226.320 0.385 10 0 BCAERO CCN(C)C(=O)N1C[C@H]([NH+](C)C)[C@@H](C)C1 ZINC000127593207 384905278 /nfs/dbraw/zinc/90/52/78/384905278.db2.gz GEJPLSYMJMNHFB-UWVGGRQHSA-N 1 0 213.325 0.940 10 0 BCAERO C[N@H+](C[C@@H]1CNC(=O)O1)C[C@@H]1CCC[C@H]1O ZINC000497256771 384917380 /nfs/dbraw/zinc/91/73/80/384917380.db2.gz IPZBAOBQCBIISW-LPEHRKFASA-N 1 0 228.292 0.188 10 0 BCAERO [NH3+][C@@H](CO)[C@H](O)c1ccc(F)c(F)c1 ZINC000085275991 384929957 /nfs/dbraw/zinc/92/99/57/384929957.db2.gz AGMZTHCXWXPCFR-DTWKUNHWSA-N 1 0 203.188 0.318 10 0 BCAERO [NH3+][C@H](CO)[C@H](O)c1ccc(F)c(F)c1 ZINC000085275988 384932317 /nfs/dbraw/zinc/93/23/17/384932317.db2.gz AGMZTHCXWXPCFR-RKDXNWHRSA-N 1 0 203.188 0.318 10 0 BCAERO CS(=O)(=O)Cc1ccc(C(N)=[NH2+])cc1 ZINC000028390335 384960231 /nfs/dbraw/zinc/96/02/31/384960231.db2.gz RGAHGOAZFYSXHM-UHFFFAOYSA-N 1 0 212.274 0.515 10 0 BCAERO Cc1cncc(CN2CC[C@@H]3OCC[NH2+][C@@H]3C2)c1 ZINC000404179477 384947682 /nfs/dbraw/zinc/94/76/82/384947682.db2.gz BONARVCICRPGBW-KGLIPLIRSA-N 1 0 247.342 0.953 10 0 BCAERO COc1cc(N2CC[C@](C)(C[NH3+])C2)ncn1 ZINC000234909028 384969466 /nfs/dbraw/zinc/96/94/66/384969466.db2.gz CCROVMDVLFTBKZ-LLVKDONJSA-N 1 0 222.292 0.660 10 0 BCAERO COC[C@H](O)C[N@@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000127959495 384971252 /nfs/dbraw/zinc/97/12/52/384971252.db2.gz JHYWUSFFPPEVCV-VXGBXAGGSA-N 1 0 239.319 0.944 10 0 BCAERO CCN(C)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1[NH3+] ZINC000058041480 384977956 /nfs/dbraw/zinc/97/79/56/384977956.db2.gz UYSQIPDQTNSPFU-VHSXEESVSA-N 1 0 243.351 0.885 10 0 BCAERO C[C@H]1OCC[C@H]1Nc1cc[nH+]cc1C(N)=O ZINC000302178127 384978150 /nfs/dbraw/zinc/97/81/50/384978150.db2.gz XDZHYRIUGMUXLJ-VXNVDRBHSA-N 1 0 221.260 0.770 10 0 BCAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+][C@H]1CCSC1 ZINC000306469287 384980360 /nfs/dbraw/zinc/98/03/60/384980360.db2.gz PCGPTXKUYXGXGN-XHNCKOQMSA-N 1 0 214.334 0.749 10 0 BCAERO C[C@H](O)CCN(C)C(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634754570 384981606 /nfs/dbraw/zinc/98/16/06/384981606.db2.gz DZQDJHXPPRVMGF-GVXVVHGQSA-N 1 0 240.347 0.605 10 0 BCAERO CC(C)[C@H](O)C[N@@H+]1CCC[C@H](O)[C@@H]1C ZINC000307312981 384983995 /nfs/dbraw/zinc/98/39/95/384983995.db2.gz GNMCVVNMLCCACT-GARJFASQSA-N 1 0 201.310 0.849 10 0 BCAERO Cc1ccc(NC(=O)C2([NH3+])CCOCC2)cn1 ZINC000128053092 384985493 /nfs/dbraw/zinc/98/54/93/384985493.db2.gz AIOKLHSYGJSWDM-UHFFFAOYSA-N 1 0 235.287 0.836 10 0 BCAERO Cc1nc(CNC(=O)[C@H]2CCC[C@@H]([NH3+])C2)no1 ZINC000226356229 384991023 /nfs/dbraw/zinc/99/10/23/384991023.db2.gz ZXJJRQXTYYJVKG-DTWKUNHWSA-N 1 0 238.291 0.512 10 0 BCAERO C[NH2+][C@]1(CO)CCN(Cc2ccccc2)C1 ZINC000038121180 384994770 /nfs/dbraw/zinc/99/47/70/384994770.db2.gz LQVPPVIXXKEWPB-CYBMUJFWSA-N 1 0 220.316 0.843 10 0 BCAERO CCOCCNC(=O)C[NH2+]C1(C(C)C)CC1 ZINC000339500723 385007325 /nfs/dbraw/zinc/00/73/25/385007325.db2.gz APBDOLUGXWWPLE-UHFFFAOYSA-N 1 0 228.336 0.917 10 0 BCAERO [NH3+]C[C@H]1CCCN1C(=O)COCC(F)(F)F ZINC000226279399 384961512 /nfs/dbraw/zinc/96/15/12/384961512.db2.gz IXXRGVNAUNMNFL-SSDOTTSWSA-N 1 0 240.225 0.515 10 0 BCAERO c1n[nH]cc1CCN1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC000404215912 384961392 /nfs/dbraw/zinc/96/13/92/384961392.db2.gz YHEPDPMVVOTGMD-NEPJUHHUSA-N 1 0 236.319 0.015 10 0 BCAERO CC(C)[C@H](O)C[N@@H+]1CC[C@H](CCO)C1 ZINC000300931499 385054474 /nfs/dbraw/zinc/05/44/74/385054474.db2.gz WEDGETRLXDQVIQ-GHMZBOCLSA-N 1 0 201.310 0.708 10 0 BCAERO Cn1c2nnc(C[NH3+])n2c2ccccc2c1=O ZINC000058824469 385026170 /nfs/dbraw/zinc/02/61/70/385026170.db2.gz BHQIGILBOMKRDQ-UHFFFAOYSA-N 1 0 229.243 0.040 10 0 BCAERO CC[C@H](O)C[NH2+][C@@H](C(=O)NC)C(C)C ZINC000308763517 385083294 /nfs/dbraw/zinc/08/32/94/385083294.db2.gz ZGZFYIBMZCDRGD-DTWKUNHWSA-N 1 0 202.298 0.118 10 0 BCAERO C[C@H]([NH3+])CNC(=O)[C@]1(C)CCCS1 ZINC000164836535 385045325 /nfs/dbraw/zinc/04/53/25/385045325.db2.gz DIUUGYVTPQOZLI-CBAPKCEASA-N 1 0 202.323 0.736 10 0 BCAERO Cc1nocc1C(=O)NC[C@H]1CC[NH2+]C1 ZINC000402681090 385123664 /nfs/dbraw/zinc/12/36/64/385123664.db2.gz VWKFOYBASDKAKL-QMMMGPOBSA-N 1 0 209.249 0.322 10 0 BCAERO CC[C@](C)(O)C[N@@H+]1CCC[C@H](CO)C1 ZINC000119404900 385094018 /nfs/dbraw/zinc/09/40/18/385094018.db2.gz YSOCQNDTKRSXBD-QWRGUYRKSA-N 1 0 201.310 0.852 10 0 BCAERO c1cnc2c(c1)nccc2N[C@H]1CC[NH2+]C1 ZINC000341018696 385102845 /nfs/dbraw/zinc/10/28/45/385102845.db2.gz SABYBXIIZUHSQY-VIFPVBQESA-N 1 0 214.272 0.826 10 0 BCAERO C[C@H]([NH2+][C@H](CO)c1ccccc1)C(=O)NC1CC1 ZINC000063002779 385201945 /nfs/dbraw/zinc/20/19/45/385201945.db2.gz NBZWAGZPIZULSY-GXFFZTMASA-N 1 0 248.326 0.977 10 0 BCAERO C[NH+](C)[C@@H]1CCN(C(=O)c2ccnc(F)c2)C1 ZINC000062969403 385199573 /nfs/dbraw/zinc/19/95/73/385199573.db2.gz XAPMZLUTJCGAAM-SNVBAGLBSA-N 1 0 237.278 0.997 10 0 BCAERO C[NH+](C)CCn1c2ccccc2[nH]c1=O ZINC000034406098 385202413 /nfs/dbraw/zinc/20/24/13/385202413.db2.gz JSTZYOFLAQAJDC-UHFFFAOYSA-N 1 0 205.261 0.891 10 0 BCAERO Cc1cccc(CC(=O)NC[C@H]2C[NH2+]C[C@H]2O)c1 ZINC000647039634 385176128 /nfs/dbraw/zinc/17/61/28/385176128.db2.gz TZIXSXAXRNCVDU-CHWSQXEVSA-N 1 0 248.326 0.234 10 0 BCAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)c1ccnc(N(C)C)c1 ZINC000647045039 385180486 /nfs/dbraw/zinc/18/04/86/385180486.db2.gz XDQASWWOWDAACW-KOLCDFICSA-N 1 0 248.330 0.709 10 0 BCAERO C[C@H]1CN(C(=O)[C@@H]2CCC[NH2+]2)CCS1 ZINC000157589628 385225426 /nfs/dbraw/zinc/22/54/26/385225426.db2.gz BRLWGQDMSFQOLV-IUCAKERBSA-N 1 0 214.334 0.702 10 0 BCAERO [NH3+][C@@H]1CC[C@@H](C(=O)NC[C@@H]2CCCOC2)C1 ZINC000227795868 385237669 /nfs/dbraw/zinc/23/76/69/385237669.db2.gz UJORJBVJKFCLDC-HBNTYKKESA-N 1 0 226.320 0.657 10 0 BCAERO CC[C@H](NC(=O)[C@@]1(C)CCCC[NH2+]1)C(=O)OC ZINC000237029963 385252090 /nfs/dbraw/zinc/25/20/90/385252090.db2.gz DPXKFYIXZGWQIO-JOYOIKCWSA-N 1 0 242.319 0.586 10 0 BCAERO C[C@H]([NH3+])Cc1ccccc1S(N)(=O)=O ZINC000063024836 385204712 /nfs/dbraw/zinc/20/47/12/385204712.db2.gz MDOAFZIHWWWKFT-ZETCQYMHSA-N 1 0 214.290 0.224 10 0 BCAERO CN(CC[NH3+])C(=O)[C@]1(C)CCCS1 ZINC000164823436 385312937 /nfs/dbraw/zinc/31/29/37/385312937.db2.gz VJJRESSOAFYKDN-VIFPVBQESA-N 1 0 202.323 0.689 10 0 BCAERO CN(C)c1nccc(N2CC(n3cccn3)C2)n1 ZINC000585570993 385319156 /nfs/dbraw/zinc/31/91/56/385319156.db2.gz VRURCIJYVRMWCM-UHFFFAOYSA-N 1 0 244.302 0.800 10 0 BCAERO COC[C@@H](O)CN(C)c1ncnc(N)c1Cl ZINC000227848440 385259449 /nfs/dbraw/zinc/25/94/49/385259449.db2.gz WXROPPVYQSLKNK-LURJTMIESA-N 1 0 246.698 0.156 10 0 BCAERO Cc1nocc1C(=O)N1CCCC[C@H]1C[NH3+] ZINC000402826651 385322310 /nfs/dbraw/zinc/32/23/10/385322310.db2.gz NTRPNNYPKYIOMQ-VIFPVBQESA-N 1 0 223.276 0.936 10 0 BCAERO COCCc1ccc(OC[C@@H](O)C[NH3+])cc1 ZINC000034217737 385277016 /nfs/dbraw/zinc/27/70/16/385277016.db2.gz XJWXVDJGNOHFLR-NSHDSACASA-N 1 0 225.288 0.574 10 0 in-vitro BCAERO C[C@@H]1C[C@H]([NH2+]C[C@H]2CN(C)CCO2)[C@H]1C ZINC000308903736 385277226 /nfs/dbraw/zinc/27/72/26/385277226.db2.gz KUKCJAFRDCEMSE-RHYQMDGZSA-N 1 0 212.337 0.951 10 0 BCAERO CO[C@H]1C[C@@H](CO)[N@H+](CCc2cccnc2)C1 ZINC000344682553 385289345 /nfs/dbraw/zinc/28/93/45/385289345.db2.gz TTXMJLARDQURNA-STQMWFEESA-N 1 0 236.315 0.706 10 0 BCAERO CO[C@@H]1C[C@H](CO)[N@H+](CCc2cccnc2)C1 ZINC000344682543 385290615 /nfs/dbraw/zinc/29/06/15/385290615.db2.gz TTXMJLARDQURNA-CHWSQXEVSA-N 1 0 236.315 0.706 10 0 BCAERO C[C@@H](O)C[NH2+][C@H]1CCC(=O)NC12CCC2 ZINC000309030918 385378782 /nfs/dbraw/zinc/37/87/82/385378782.db2.gz DRFKIPFEQBOVGG-BDAKNGLRSA-N 1 0 212.293 0.158 10 0 BCAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]CCCCCO ZINC000309119898 385423942 /nfs/dbraw/zinc/42/39/42/385423942.db2.gz NDUPJFHQJWRAOZ-VHSXEESVSA-N 1 0 214.309 0.406 10 0 BCAERO C[C@@H]1CCO[C@@H]1C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000168981544 385397397 /nfs/dbraw/zinc/39/73/97/385397397.db2.gz KREIEYKAUWCYQP-ZJUUUORDSA-N 1 0 226.320 0.622 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC[C@@]2(CCOC2)C1 ZINC000644055034 385406320 /nfs/dbraw/zinc/40/63/20/385406320.db2.gz VUHIYXDOSDLJDT-NQBHXWOUSA-N 1 0 238.331 0.481 10 0 BCAERO CCCc1cc(C(=O)NCC[C@@H](C)[NH3+])[nH]n1 ZINC000178699023 385412171 /nfs/dbraw/zinc/41/21/71/385412171.db2.gz QHJJZQNEEBRMNE-MRVPVSSYSA-N 1 0 224.308 0.829 10 0 BCAERO CO[C@@H]1C(=O)N(CC2CC2)C12CC[NH2+]CC2 ZINC000169676553 385417620 /nfs/dbraw/zinc/41/76/20/385417620.db2.gz PCKJKMJDZREXKE-SNVBAGLBSA-N 1 0 224.304 0.376 10 0 BCAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]Cc1cc[nH]n1 ZINC000309117045 385422442 /nfs/dbraw/zinc/42/24/42/385422442.db2.gz LYPZLARLCUJMEK-IONNQARKSA-N 1 0 208.265 0.166 10 0 BCAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]C[C@H]1CCC=CO1 ZINC000281729335 385447762 /nfs/dbraw/zinc/44/77/62/385447762.db2.gz JFJUCHMJZBIBQC-HBNTYKKESA-N 1 0 224.304 0.936 10 0 BCAERO C[NH+](C)[C@@H]1CCN(C(=O)c2cc[nH]n2)C1 ZINC000170866625 385450995 /nfs/dbraw/zinc/45/09/95/385450995.db2.gz JJMSRSMWPYGJJD-MRVPVSSYSA-N 1 0 208.265 0.186 10 0 BCAERO [NH3+]C[C@@](O)(c1cccnc1)C(F)(F)F ZINC000062784208 385474557 /nfs/dbraw/zinc/47/45/57/385474557.db2.gz LLZNZAISONIADL-SSDOTTSWSA-N 1 0 206.167 0.790 10 0 BCAERO C[NH+](C)[C@@]1(C(=O)[O-])CC[N@@H+]2CCC[C@@H]2C1 ZINC000156929550 385475194 /nfs/dbraw/zinc/47/51/94/385475194.db2.gz DGOWAQLDDFMMFJ-KOLCDFICSA-N 1 0 212.293 0.630 10 0 BCAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)Cc1cccnc1 ZINC000309219797 385485910 /nfs/dbraw/zinc/48/59/10/385485910.db2.gz QGHNVDONOVXQBH-MWLCHTKSSA-N 1 0 219.288 0.572 10 0 BCAERO C[C@@H](CO)C[NH2+][C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000378676452 385460261 /nfs/dbraw/zinc/46/02/61/385460261.db2.gz PSSAIBDQBWHKFE-GMTAPVOTSA-N 1 0 249.376 0.560 10 0 BCAERO COC(=O)CCC[N@@H+]1C[C@@H](OC)C[C@H]1CO ZINC000309239162 385494473 /nfs/dbraw/zinc/49/44/73/385494473.db2.gz AAVFTUHEXUTBHN-UWVGGRQHSA-N 1 0 231.292 0.021 10 0 BCAERO [NH3+]C[C@H]1CCCN1C(=O)Cc1ccccc1O ZINC000157333307 385498093 /nfs/dbraw/zinc/49/80/93/385498093.db2.gz NMMNDNRQVMASFU-LLVKDONJSA-N 1 0 234.299 0.884 10 0 BCAERO COc1cc(C)nc(N[C@@H]2CC[NH2+]C2)n1 ZINC000166458516 385502042 /nfs/dbraw/zinc/50/20/42/385502042.db2.gz ACKRMJIWSLPEFI-MRVPVSSYSA-N 1 0 208.265 0.567 10 0 BCAERO CO[C@H]1C[C@@H](CO)[N@H+](CCOC(C)(C)C)C1 ZINC000309264787 385503455 /nfs/dbraw/zinc/50/34/55/385503455.db2.gz JESRGAKNQPJMFT-QWRGUYRKSA-N 1 0 231.336 0.883 10 0 BCAERO COC(=O)CC[N@@H+]1CCC[C@@H](n2cncn2)C1 ZINC000171635315 385503811 /nfs/dbraw/zinc/50/38/11/385503811.db2.gz ARQRBRUTPUNHNE-SNVBAGLBSA-N 1 0 238.291 0.478 10 0 BCAERO CO[C@@H]1C[C@@H](CO)[N@H+](CCOC(C)(C)C)C1 ZINC000309264789 385504203 /nfs/dbraw/zinc/50/42/03/385504203.db2.gz JESRGAKNQPJMFT-WDEREUQCSA-N 1 0 231.336 0.883 10 0 BCAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)CCn1ccccc1=O ZINC000644148559 385537915 /nfs/dbraw/zinc/53/79/15/385537915.db2.gz ZINYBQIDONEETQ-GHMZBOCLSA-N 1 0 249.314 0.187 10 0 BCAERO CC(=O)N[C@H](C(=O)N1CC[C@@H]([NH3+])[C@@H]1C)C(C)C ZINC000644147639 385541877 /nfs/dbraw/zinc/54/18/77/385541877.db2.gz CHVZPCSZDBYKIK-GDPRMGEGSA-N 1 0 241.335 0.095 10 0 BCAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)Cc1ccncc1 ZINC000309346205 385544101 /nfs/dbraw/zinc/54/41/01/385544101.db2.gz WOZSHVMBFOZFKW-KOLCDFICSA-N 1 0 219.288 0.572 10 0 BCAERO CO[C@H]1CCN(C(=O)[C@@]2(C)CCC[NH2+]2)C1 ZINC000234802557 259669972 /nfs/dbraw/zinc/66/99/72/259669972.db2.gz MAIRSWGNBPXPPQ-GXSJLCMTSA-N 1 0 212.293 0.376 10 0 BCAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]C[C@H](O)c1ccccc1 ZINC000282229896 385525965 /nfs/dbraw/zinc/52/59/65/385525965.db2.gz FKYJUQMNQZNSGH-UHTWSYAYSA-N 1 0 248.326 0.977 10 0 BCAERO c1cn2c(n1)CC[C@H]([NH2+][C@@H]1CCCOC1)C2 ZINC000309317650 385528536 /nfs/dbraw/zinc/52/85/36/385528536.db2.gz DLICBXSZJQVZNX-WDEREUQCSA-N 1 0 221.304 0.967 10 0 BCAERO C[C@H]([NH2+]CCC(=O)NC(N)=O)c1cccs1 ZINC000309382916 385556391 /nfs/dbraw/zinc/55/63/91/385556391.db2.gz DPWGCIJPHRDZHV-ZETCQYMHSA-N 1 0 241.316 0.984 10 0 BCAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]C[C@H]1CCCOC1 ZINC000309404642 385571713 /nfs/dbraw/zinc/57/17/13/385571713.db2.gz HVGPZFNUJWODRC-HBNTYKKESA-N 1 0 226.320 0.670 10 0 BCAERO C[C@@H]([NH3+])CCNS(=O)(=O)c1cccs1 ZINC000063171243 385594815 /nfs/dbraw/zinc/59/48/15/385594815.db2.gz AZUMBCVBRGVQCB-SSDOTTSWSA-N 1 0 234.346 0.764 10 0 BCAERO C[C@H]([NH2+]C[C@@H](O)CN(C)C1CC1)[C@H]1CCCO1 ZINC000336676999 385606291 /nfs/dbraw/zinc/60/62/91/385606291.db2.gz CIVDZQZSSWLOHO-CYZMBNFOSA-N 1 0 242.363 0.599 10 0 BCAERO CN1CCN(C)[C@H](C[NH2+][C@@H]2CCCC[C@H]2O)C1 ZINC000250364603 385599943 /nfs/dbraw/zinc/59/99/43/385599943.db2.gz FIFIRSOZDVKCTL-JHJVBQTASA-N 1 0 241.379 0.125 10 0 BCAERO C[NH2+]C[C@H](C)Nc1cc(C)nc2ncnn21 ZINC000308984842 385680559 /nfs/dbraw/zinc/68/05/59/385680559.db2.gz VANBZJJFVUVRBM-QMMMGPOBSA-N 1 0 220.280 0.453 10 0 BCAERO C[C@H](O)c1ccc(N2CC[NH2+]CC2)c(N)c1 ZINC000253560882 385681177 /nfs/dbraw/zinc/68/11/77/385681177.db2.gz BJRDHXNAILANRB-VIFPVBQESA-N 1 0 221.304 0.732 10 0 BCAERO O=S1CCC([NH+]2CCC(O)CC2)CC1 ZINC000253569151 385683896 /nfs/dbraw/zinc/68/38/96/385683896.db2.gz MAHFQPNQUJIJRJ-UHFFFAOYSA-N 1 0 217.334 0.354 10 0 BCAERO [NH3+]C[C@@H]1CNc2nc3ccccc3c(=O)n21 ZINC000253575133 385684507 /nfs/dbraw/zinc/68/45/07/385684507.db2.gz UGGAPHQYSDEFBB-SSDOTTSWSA-N 1 0 216.244 0.322 10 0 BCAERO COC(=O)C1C(=O)C=C(OC)C(=C=N)[C@@H]1O ZINC000211766958 385693986 /nfs/dbraw/zinc/69/39/86/385693986.db2.gz POGQXDIWVQZBAU-VIFPVBQESA-N 1 0 225.200 0.051 10 0 BCAERO CC(C)(C)OC(=O)N1CC2(C1)C[C@H](CO)C[NH2+]2 ZINC000307292845 385695063 /nfs/dbraw/zinc/69/50/63/385695063.db2.gz DSXNGLJYROKFQX-VIFPVBQESA-N 1 0 242.319 0.578 10 0 BCAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)CCc1ccncc1 ZINC000334453369 385706129 /nfs/dbraw/zinc/70/61/29/385706129.db2.gz TUBYRSOVMAYIRX-PWSUYJOCSA-N 1 0 233.315 0.962 10 0 BCAERO CCO[C@@H]1C[C@@H]([NH2+]CCO)C12CCOCC2 ZINC000186212139 385748776 /nfs/dbraw/zinc/74/87/76/385748776.db2.gz KIMNOBOCPPURLH-GHMZBOCLSA-N 1 0 229.320 0.543 10 0 BCAERO CCCCOCC[N@@H+]1CCC[C@@](O)(C(N)=O)C1 ZINC000336703802 385782363 /nfs/dbraw/zinc/78/23/63/385782363.db2.gz LQCHNXPQOIUYTK-LBPRGKRZSA-N 1 0 244.335 0.115 10 0 BCAERO [NH3+]Cc1cnc(C2CCS(=O)(=O)CC2)s1 ZINC000259036665 385783215 /nfs/dbraw/zinc/78/32/15/385783215.db2.gz VYDDWQLNNPQFSD-UHFFFAOYSA-N 1 0 246.357 0.894 10 0 BCAERO C[C@@H]1C[C@H]([NH3+])CN1C(=O)CC(F)(F)F ZINC000307374361 385723094 /nfs/dbraw/zinc/72/30/94/385723094.db2.gz XUQOTXUOPXZQOT-RITPCOANSA-N 1 0 210.199 0.887 10 0 BCAERO Cn1ncnc1C(=O)CC1CC[NH2+]CC1 ZINC000306812348 385804573 /nfs/dbraw/zinc/80/45/73/385804573.db2.gz YZODNPYMAFZHDM-UHFFFAOYSA-N 1 0 208.265 0.388 10 0 BCAERO CCC[C@H](C(=O)N1CC[C@@H](O)[C@H](C)C1)[NH+](C)C ZINC000186727616 385788398 /nfs/dbraw/zinc/78/83/98/385788398.db2.gz IEEKTHKDGJDNQN-IJLUTSLNSA-N 1 0 242.363 0.946 10 0 BCAERO CCc1nnc(CN2CC[NH2+][C@@H](C)C2)n1C ZINC000647842541 385891909 /nfs/dbraw/zinc/89/19/09/385891909.db2.gz QLSONGSFMBXQDO-VIFPVBQESA-N 1 0 223.324 0.171 10 0 BCAERO CCc1nnc(CN2CCC[C@@H]2C[NH2+]C)n1C ZINC000647857024 385906440 /nfs/dbraw/zinc/90/64/40/385906440.db2.gz IEICTUUTKAEGSD-SNVBAGLBSA-N 1 0 237.351 0.561 10 0 BCAERO Nc1nnc(S[C@H]2CC[NH2+]C2)s1 ZINC000051784174 385914432 /nfs/dbraw/zinc/91/44/32/385914432.db2.gz CZTSOAUAMNBPDV-BYPYZUCNSA-N 1 0 202.308 0.574 10 0 BCAERO Cn1ncc(Br)c1[C@@H]1COC[C@H]1[NH3+] ZINC000575531647 385877163 /nfs/dbraw/zinc/87/71/63/385877163.db2.gz QPTJEOAXFPNQBE-IYSWYEEDSA-N 1 0 246.108 0.624 10 0 BCAERO [NH3+][C@H]1CCCc2c1cnn2-c1ncccn1 ZINC000072415650 385928381 /nfs/dbraw/zinc/92/83/81/385928381.db2.gz NIOLPNWNKMIZNL-VIFPVBQESA-N 1 0 215.260 0.998 10 0 BCAERO OC1(c2nc(Br)cs2)C[NH2+]C1 ZINC000127785324 385931947 /nfs/dbraw/zinc/93/19/47/385931947.db2.gz QFTQGJPFYBMHMS-UHFFFAOYSA-N 1 0 235.106 0.696 10 0 BCAERO C[C@H](NC(=O)[C@H]1C[C@@H]([NH3+])C1)[C@H]1CCCO1 ZINC000647982028 385942922 /nfs/dbraw/zinc/94/29/22/385942922.db2.gz RUQHIBHQXDSLHS-AXTSPUMRSA-N 1 0 212.293 0.407 10 0 BCAERO CC[C@](C)(O)C[N@@H+]1C[C@H](C)O[C@H](COC)C1 ZINC000189455104 386008275 /nfs/dbraw/zinc/00/82/75/386008275.db2.gz BBFCEANPVXOKAB-SRVKXCTJSA-N 1 0 231.336 0.883 10 0 BCAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]C[C@H]1CCCO1 ZINC000336752430 386017144 /nfs/dbraw/zinc/01/71/44/386017144.db2.gz GVSQMAQNURALOM-IVZWLZJFSA-N 1 0 212.293 0.422 10 0 BCAERO C[C@@]1(CNc2nccn3cnnc23)CCC[NH2+]C1 ZINC000129393803 386076006 /nfs/dbraw/zinc/07/60/06/386076006.db2.gz MPKBJEGBABVLJX-GFCCVEGCSA-N 1 0 246.318 0.926 10 0 BCAERO C[NH2+][C@@H]1CCN([C@H]2CS[C@@H](C)C2)C1=O ZINC000307176294 386084375 /nfs/dbraw/zinc/08/43/75/386084375.db2.gz XVKLKZWNPDOFNM-DJLDLDEBSA-N 1 0 214.334 0.701 10 0 BCAERO C[NH2+][C@@H]1CCN([C@H]2CS[C@H](C)C2)C1=O ZINC000307176296 386085722 /nfs/dbraw/zinc/08/57/22/386085722.db2.gz XVKLKZWNPDOFNM-IWSPIJDZSA-N 1 0 214.334 0.701 10 0 BCAERO CS(C)(=O)=NC[C@H]1CSCC[NH2+]1 ZINC000307178182 386085761 /nfs/dbraw/zinc/08/57/61/386085761.db2.gz YGXJPQVZHWAIGB-ZETCQYMHSA-N 1 0 208.352 0.419 10 0 BCAERO CCC[C@H](NC(=O)[C@H]1CCC[C@@H]1C[NH3+])C(N)=O ZINC000310397945 386178717 /nfs/dbraw/zinc/17/87/17/386178717.db2.gz IFJZVASSKIJOQG-UTLUCORTSA-N 1 0 241.335 0.132 10 0 BCAERO C[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C)[C@@H]1CCOC1 ZINC000336738664 386183012 /nfs/dbraw/zinc/18/30/12/386183012.db2.gz KMFHIFMOCROOEP-UKKRHICBSA-N 1 0 226.320 0.668 10 0 BCAERO [NH3+]C[C@H](O)[C@H]1CCc2cc(F)ccc2O1 ZINC000038258283 386127585 /nfs/dbraw/zinc/12/75/85/386127585.db2.gz XEWOKAJCYBGRTK-GXSJLCMTSA-N 1 0 211.236 0.839 10 0 in-vitro BCAERO Cn1ccc(C[NH2+]C[C@H]2CCC[C@H]2O)n1 ZINC000097604826 386132961 /nfs/dbraw/zinc/13/29/61/386132961.db2.gz MGBJLEHGDVFSBA-MWLCHTKSSA-N 1 0 209.293 0.671 10 0 BCAERO Cc1cc(C[NH2+]C[C@H]2CCC[C@H]2O)nn1C ZINC000414354681 386141393 /nfs/dbraw/zinc/14/13/93/386141393.db2.gz AODLXXGTCGWCII-ZYHUDNBSSA-N 1 0 223.320 0.979 10 0 BCAERO C[C@@H]1C[C@]1(C)[NH2+][C@@H]1CCS(=O)(=O)C1 ZINC000575580174 386221422 /nfs/dbraw/zinc/22/14/22/386221422.db2.gz QPLXDITWAYEVMS-HLTSFMKQSA-N 1 0 203.307 0.562 10 0 BCAERO C[N@H+](C[C@H](O)CN1C[C@@H]2CCC[C@H]21)C1CC1 ZINC000336647921 386256685 /nfs/dbraw/zinc/25/66/85/386256685.db2.gz FXBNQJIZTMIAOK-WCFLWFBJSA-N 1 0 224.348 0.926 10 0 BCAERO Cc1c(C[NH2+]C[C@@H]2CC[C@H](O)C2)cnn1C ZINC000235815631 386193670 /nfs/dbraw/zinc/19/36/70/386193670.db2.gz CLLBSQUXCTXRSP-PWSUYJOCSA-N 1 0 223.320 0.979 10 0 BCAERO C[C@@]1(C(=O)NC2CSC2)CC[NH2+]C1 ZINC000575577527 386197467 /nfs/dbraw/zinc/19/74/67/386197467.db2.gz CUPJIOLXDWZIAF-SECBINFHSA-N 1 0 200.307 0.218 10 0 BCAERO [NH3+][C@@H]1CC[C@H](C(=O)N2CCN(C3CC3)CC2)C1 ZINC000091544639 386300849 /nfs/dbraw/zinc/30/08/49/386300849.db2.gz UXHSOUXNGNTDAV-WDEREUQCSA-N 1 0 237.347 0.420 10 0 BCAERO COc1c(CN2CCC[NH2+]CC2)c(C)nn1C ZINC000133544012 386312088 /nfs/dbraw/zinc/31/20/88/386312088.db2.gz YMRYYGAESNERQS-UHFFFAOYSA-N 1 0 238.335 0.532 10 0 BCAERO CC(C)([NH3+])C(=O)NC[C@H](O)Cc1ccccc1 ZINC000236797787 386314129 /nfs/dbraw/zinc/31/41/29/386314129.db2.gz DORHLLUOZUQWJA-LLVKDONJSA-N 1 0 236.315 0.444 10 0 BCAERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)NC1CCCCC1 ZINC000416437090 386316928 /nfs/dbraw/zinc/31/69/28/386316928.db2.gz KXRTZTWJZMFVBR-KOLCDFICSA-N 1 0 241.335 0.199 10 0 BCAERO Cc1noc(CCCN2C[C@H]([NH3+])[C@@H](C)C2)n1 ZINC000647987666 386278640 /nfs/dbraw/zinc/27/86/40/386278640.db2.gz PCIOPABKMXXYSZ-WPRPVWTQSA-N 1 0 224.308 0.590 10 0 BCAERO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)Cc1cc[nH]n1 ZINC000262581161 386369424 /nfs/dbraw/zinc/36/94/24/386369424.db2.gz LZTXMIDSMNVYMQ-SCZZXKLOSA-N 1 0 222.292 0.196 10 0 BCAERO Cc1cnc(CN2CC[C@H](CCO)C2)nc1 ZINC000336699900 386387324 /nfs/dbraw/zinc/38/73/24/386387324.db2.gz JQSXMXJFKXBWBT-LLVKDONJSA-N 1 0 221.304 0.989 10 0 BCAERO COCCOCC[N@@H+]1C[C@H](O)CC[C@@H]1C ZINC000399178806 386437681 /nfs/dbraw/zinc/43/76/81/386437681.db2.gz JBAHMLMRXHWNKA-WDEREUQCSA-N 1 0 217.309 0.495 10 0 BCAERO c1ccc2c(c1)OC[C@@H](CN[C@H]1CC[NH2+]C1)O2 ZINC000094075073 386445142 /nfs/dbraw/zinc/44/51/42/386445142.db2.gz AAGLAWANIZFAHU-WDEREUQCSA-N 1 0 234.299 0.778 10 0 BCAERO COCC[NH2+]CCNC(=O)N[C@@H](C)C(C)C ZINC000416808693 386399018 /nfs/dbraw/zinc/39/90/18/386399018.db2.gz PNDITBVVDMVQDD-JTQLQIEISA-N 1 0 231.340 0.566 10 0 BCAERO c1ccc2[nH]c(NC[C@H]3C[NH2+]CCO3)nc2c1 ZINC000134265302 386403595 /nfs/dbraw/zinc/40/35/95/386403595.db2.gz WHHRXUDPARNGNE-SECBINFHSA-N 1 0 232.287 0.963 10 0 BCAERO [NH3+]C[C@@H]1CCCCN1C(=O)Cc1cc[nH]n1 ZINC000237835374 386414843 /nfs/dbraw/zinc/41/48/43/386414843.db2.gz JLWMIZZSHSNIBY-JTQLQIEISA-N 1 0 222.292 0.292 10 0 BCAERO CCC[C@@H](O)C[NH2+]Cc1c(C)nn(C)c1OC ZINC000134558254 386424033 /nfs/dbraw/zinc/42/40/33/386424033.db2.gz ZBWOPVLVAHCALK-SNVBAGLBSA-N 1 0 241.335 0.988 10 0 BCAERO [NH3+]C[C@H]1CCCCN1C(=O)Cc1cc[nH]n1 ZINC000237948587 386425732 /nfs/dbraw/zinc/42/57/32/386425732.db2.gz JLWMIZZSHSNIBY-SNVBAGLBSA-N 1 0 222.292 0.292 10 0 BCAERO CN(CCOCC1CC1)C(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000094988382 386474190 /nfs/dbraw/zinc/47/41/90/386474190.db2.gz AXTJMFOVOLEDPC-NWDGAFQWSA-N 1 0 240.347 0.999 10 0 BCAERO COCC1(NC(=O)[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000519538784 386478376 /nfs/dbraw/zinc/47/83/76/386478376.db2.gz FPRUAKOOLOTYCE-VHSXEESVSA-N 1 0 226.320 0.799 10 0 BCAERO CN(C[C@@H]1CCCCO1)C(=O)[C@@H]1CC[NH2+]C1 ZINC000062116422 386503048 /nfs/dbraw/zinc/50/30/48/386503048.db2.gz VIXNQYFQGGNWKD-MNOVXSKESA-N 1 0 226.320 0.623 10 0 BCAERO CCC[C@@](C)([NH3+])C(=O)N1CCn2ccnc2C1 ZINC000062254856 386507716 /nfs/dbraw/zinc/50/77/16/386507716.db2.gz IPPUNHUEPKCGFC-GFCCVEGCSA-N 1 0 236.319 0.743 10 0 BCAERO O=C(CC[C@H]1CCC[NH2+]1)Nc1nc[nH]n1 ZINC000645410398 386509032 /nfs/dbraw/zinc/50/90/32/386509032.db2.gz YIEYSJIDLVRVEV-SSDOTTSWSA-N 1 0 209.253 0.275 10 0 BCAERO C[C@H]([NH3+])C[C@H](C)Nc1cn[nH]c(=O)c1Cl ZINC000320479714 386515382 /nfs/dbraw/zinc/51/53/82/386515382.db2.gz GSXIHGPIFXVDLC-WDSKDSINSA-N 1 0 230.699 0.961 10 0 BCAERO C[C@H]1CC[C@@H](O)C[N@@H+]1CCn1cccn1 ZINC000399344419 386516776 /nfs/dbraw/zinc/51/67/76/386516776.db2.gz VELQOYJIEGVHSO-WDEREUQCSA-N 1 0 209.293 0.728 10 0 BCAERO Cc1cccc(C)c1C(=O)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000335452154 386524312 /nfs/dbraw/zinc/52/43/12/386524312.db2.gz HAOJSCYFNQUAFH-NWDGAFQWSA-N 1 0 248.326 0.614 10 0 BCAERO Cc1cccc(C)c1C(=O)NC[C@H]1C[NH2+]C[C@H]1O ZINC000335452156 386525032 /nfs/dbraw/zinc/52/50/32/386525032.db2.gz HAOJSCYFNQUAFH-VXGBXAGGSA-N 1 0 248.326 0.614 10 0 BCAERO COCC[NH2+]CCNc1cc(OC)ncn1 ZINC000215517961 386592930 /nfs/dbraw/zinc/59/29/30/386592930.db2.gz JKKPAYWGSDKGAP-UHFFFAOYSA-N 1 0 226.280 0.133 10 0 BCAERO Cc1nnc(N2C[C@@H](F)C[C@@H]2C[NH3+])o1 ZINC000238853307 386534965 /nfs/dbraw/zinc/53/49/65/386534965.db2.gz IYZHGWJLLOFEIN-NKWVEPMBSA-N 1 0 200.217 0.254 10 0 BCAERO Cc1noc(C)c1S(=O)(=O)NCC[C@@H](C)[NH3+] ZINC000063171036 386540399 /nfs/dbraw/zinc/54/03/99/386540399.db2.gz JWJBGRZCGXKJND-ZCFIWIBFSA-N 1 0 247.320 0.307 10 0 BCAERO C[C@H]1CC[C@H](O)C[N@@H+]1CC(=O)N1CCCCC1 ZINC000399402556 386541992 /nfs/dbraw/zinc/54/19/92/386541992.db2.gz HGKCPPCOTINGLK-RYUDHWBXSA-N 1 0 240.347 0.844 10 0 BCAERO CCS(=O)(=O)Nc1ccc(C[NH3+])cn1 ZINC000051953054 386547882 /nfs/dbraw/zinc/54/78/82/386547882.db2.gz PWVQUTDNTOCEDO-UHFFFAOYSA-N 1 0 215.278 0.302 10 0 BCAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]C[C@H](O)C(F)(F)F ZINC000336780721 386556734 /nfs/dbraw/zinc/55/67/34/386556734.db2.gz RVMBMTNBRWZCQO-ACZMJKKPSA-N 1 0 240.225 0.166 10 0 BCAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]C[C@@H](O)C(F)(F)F ZINC000336780723 386559352 /nfs/dbraw/zinc/55/93/52/386559352.db2.gz RVMBMTNBRWZCQO-RRKCRQDMSA-N 1 0 240.225 0.166 10 0 BCAERO Cn1nccc1NC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000124501692 386634000 /nfs/dbraw/zinc/63/40/00/386634000.db2.gz WHOLFSZJLOIQNF-VIFPVBQESA-N 1 0 237.307 0.588 10 0 BCAERO Cn1nccc1NC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000124501884 386636463 /nfs/dbraw/zinc/63/64/63/386636463.db2.gz WHOLFSZJLOIQNF-SECBINFHSA-N 1 0 237.307 0.588 10 0 BCAERO C[C@H]1[NH2+]CC[C@@H]1NC(=O)CC(F)(F)F ZINC000307419346 386649465 /nfs/dbraw/zinc/64/94/65/386649465.db2.gz HLBIBJHRKSHSHT-RITPCOANSA-N 1 0 210.199 0.805 10 0 BCAERO Nc1cc[nH+]cc1C(=O)N[C@H]1CCC[C@H](O)C1 ZINC000647979577 386663586 /nfs/dbraw/zinc/66/35/86/386663586.db2.gz ZSKHSOCUNWUJOE-IUCAKERBSA-N 1 0 235.287 0.527 10 0 BCAERO CC(C)n1nnnc1CN1CC[C@](C)(C[NH3+])C1 ZINC000647954468 386680713 /nfs/dbraw/zinc/68/07/13/386680713.db2.gz PIIPCHSBXHZYDH-LLVKDONJSA-N 1 0 238.339 0.425 10 0 BCAERO CC(C)[C@@H](O)C[N@H+](C)C[C@@H]1CN(C)CCO1 ZINC000644993614 386658423 /nfs/dbraw/zinc/65/84/23/386658423.db2.gz DHUCBKIJBFJCAT-RYUDHWBXSA-N 1 0 230.352 0.266 10 0 BCAERO CON(C)C(=O)[C@](C)(C[NH3+])C(=O)OC(C)(C)C ZINC000575448717 386732520 /nfs/dbraw/zinc/73/25/20/386732520.db2.gz NSKYMMFDSKRROK-NSHDSACASA-N 1 0 246.307 0.313 10 0 BCAERO c1nc2c([nH]1)C[C@H]([NH2+][C@H]1CCOC1)CC2 ZINC000336760519 386733583 /nfs/dbraw/zinc/73/35/83/386733583.db2.gz MFIMBEAIKUMTCA-BDAKNGLRSA-N 1 0 207.277 0.646 10 0 BCAERO C[C@@H]1OCC[C@H]1NC(=O)N1CC[NH2+][C@H](C)C1 ZINC000417950642 386740891 /nfs/dbraw/zinc/74/08/91/386740891.db2.gz MBCMJKUFEKBLHR-KXUCPTDWSA-N 1 0 227.308 0.167 10 0 BCAERO Cn1ncc2c1ncnc2NC[C@H]1CCC[NH2+]C1 ZINC000044502991 386722195 /nfs/dbraw/zinc/72/21/95/386722195.db2.gz WQLLNIKGIFFUJW-VIFPVBQESA-N 1 0 246.318 0.775 10 0 BCAERO C[C@@H]1COCC[C@H]1[NH2+]C[C@@H]1CN(C)CCO1 ZINC000192131543 386743980 /nfs/dbraw/zinc/74/39/80/386743980.db2.gz CSXKIVLKHKCLIJ-IJLUTSLNSA-N 1 0 228.336 0.332 10 0 BCAERO [NH3+][C@@H]1COC[C@H]1[C@H](O)c1cncs1 ZINC000575452061 386805488 /nfs/dbraw/zinc/80/54/88/386805488.db2.gz BKCHHGFVCSWEOH-JKMUOGBPSA-N 1 0 200.263 0.150 10 0 BCAERO C[C@@H](O)C[N@@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000192978338 386806859 /nfs/dbraw/zinc/80/68/59/386806859.db2.gz IDZJQFWTNKWNOK-MWLCHTKSSA-N 1 0 209.293 0.938 10 0 BCAERO O[C@H](c1cscn1)[C@H]1C[NH2+]CCO1 ZINC000575453260 386810376 /nfs/dbraw/zinc/81/03/76/386810376.db2.gz DPMPNXBDCYCWQQ-HTQZYQBOSA-N 1 0 200.263 0.165 10 0 BCAERO CCS(=O)(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000085727493 134517214 /nfs/dbraw/zinc/51/72/14/134517214.db2.gz CTOOGHJONWFSOY-JGVFFNPUSA-N 1 0 206.311 0.066 10 0 BCAERO Cn1cc([C@@H](CNc2ncccn2)[NH+](C)C)cn1 ZINC000301302359 386834483 /nfs/dbraw/zinc/83/44/83/386834483.db2.gz VYBTXCLYVRBFLY-LLVKDONJSA-N 1 0 246.318 0.925 10 0 BCAERO C[C@@H]1CN(C(=O)N[C@@H]2CCO[C@H]2C)C[C@@H]1[NH3+] ZINC000417959756 386842696 /nfs/dbraw/zinc/84/26/96/386842696.db2.gz WVBNPVSIEWIOKF-XFWSIPNHSA-N 1 0 227.308 0.152 10 0 BCAERO OC1(C[N@@H+]2CC[C@@H](n3ccnn3)C2)CCCC1 ZINC000585379385 386853674 /nfs/dbraw/zinc/85/36/74/386853674.db2.gz KMHAHFBITSFTHD-LLVKDONJSA-N 1 0 236.319 0.830 10 0 BCAERO Cc1nn(C)cc1C[N@@H+]1CC[C@@H](n2ccnn2)C1 ZINC000585379374 386852317 /nfs/dbraw/zinc/85/23/17/386852317.db2.gz KCZMQRGPMRVPMB-GFCCVEGCSA-N 1 0 246.318 0.767 10 0 BCAERO CC(C)n1ccnc1CN1CC[C@H]([NH3+])C1 ZINC000334862866 386917000 /nfs/dbraw/zinc/91/70/00/386917000.db2.gz GPOOIZGGZWVGAS-JTQLQIEISA-N 1 0 208.309 0.997 10 0 BCAERO COC(=O)[C@@H]1CC[N@H+](CC2(O)CCC2)C1 ZINC000341379133 386897960 /nfs/dbraw/zinc/89/79/60/386897960.db2.gz OWNCYIMUFKHJCB-SECBINFHSA-N 1 0 213.277 0.396 10 0 BCAERO COCCOCC[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000398708155 386956774 /nfs/dbraw/zinc/95/67/74/386956774.db2.gz NSNLKTVLQUASMB-RWMBFGLXSA-N 1 0 243.347 0.742 10 0 BCAERO C[C@H](C(=O)N(C)C)[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000398713847 386964029 /nfs/dbraw/zinc/96/40/29/386964029.db2.gz POSUYYBZGDPIBK-NOOOWODRSA-N 1 0 240.347 0.556 10 0 BCAERO CC(C)NC(=O)C[N@@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000398723200 386969170 /nfs/dbraw/zinc/96/91/70/386969170.db2.gz SPUUTAXIARKJDH-SRVKXCTJSA-N 1 0 240.347 0.604 10 0 BCAERO CC(C)NC(=O)C[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000398723197 386969275 /nfs/dbraw/zinc/96/92/75/386969275.db2.gz SPUUTAXIARKJDH-SDDRHHMPSA-N 1 0 240.347 0.604 10 0 BCAERO COC[C@H](O)C[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000398768817 386988131 /nfs/dbraw/zinc/98/81/31/386988131.db2.gz GATIMVNFRMXOFT-IRCOFANPSA-N 1 0 229.320 0.087 10 0 BCAERO O[C@@H]1CC[C@H]2C[N@H+](CCn3ccnc3)C[C@@H]2C1 ZINC000398781688 386990924 /nfs/dbraw/zinc/99/09/24/386990924.db2.gz KIOIZIPAXZKLAM-RWMBFGLXSA-N 1 0 235.331 0.976 10 0 BCAERO O[C@@H]1CC[C@H]2C[N@H+](CCn3ccnc3)C[C@H]2C1 ZINC000398781690 386991508 /nfs/dbraw/zinc/99/15/08/386991508.db2.gz KIOIZIPAXZKLAM-YNEHKIRRSA-N 1 0 235.331 0.976 10 0 BCAERO [NH3+][C@@H](CNc1nnnn1-c1ccccc1)C1CC1 ZINC000104318364 387002734 /nfs/dbraw/zinc/00/27/34/387002734.db2.gz YRCSSPNPFPXIMB-NSHDSACASA-N 1 0 244.302 0.812 10 0 BCAERO CCOCC[N@@H+]1CCN(C(N)=O)C[C@H]1CC ZINC000117021857 387005566 /nfs/dbraw/zinc/00/55/66/387005566.db2.gz ORHHYBCNDWKQKF-SNVBAGLBSA-N 1 0 229.324 0.498 10 0 BCAERO CC(C)(C)[C@@H](O)CNC(=O)[C@@H]([NH3+])C1CCC1 ZINC000398980962 387032941 /nfs/dbraw/zinc/03/29/41/387032941.db2.gz GAHGRCQRNLIRMS-UWVGGRQHSA-N 1 0 228.336 0.637 10 0 BCAERO [NH3+]C[C@H](O)c1cc(F)c2c(c1)CCC(=O)N2 ZINC000575422474 387036362 /nfs/dbraw/zinc/03/63/62/387036362.db2.gz MSDRORUDWLKWFP-VIFPVBQESA-N 1 0 224.235 0.703 10 0 BCAERO O=S1(=O)CCC[C@H]1C[C@@H]1C=CC[NH2+]1 ZINC000575460382 387037715 /nfs/dbraw/zinc/03/77/15/387037715.db2.gz JPAFXRMFRJEHMK-IUCAKERBSA-N 1 0 201.291 0.482 10 0 BCAERO [NH3+][C@@H]1CCC[C@@H]1[S@@](=O)[C@H]1CCOC1 ZINC000575578194 387043817 /nfs/dbraw/zinc/04/38/17/387043817.db2.gz SRECYEQOIQCHAT-ZZIUEJKTSA-N 1 0 203.307 0.404 10 0 BCAERO CC1CC(C(=O)N2CCN(C)C[C@H]2C[NH3+])C1 ZINC000519152316 387022023 /nfs/dbraw/zinc/02/20/23/387022023.db2.gz ODTVJVXRVHEHOS-VQXHTEKXSA-N 1 0 225.336 0.134 10 0 BCAERO CC1(C)C[C@@H]([S@@](=O)C2C[NH2+]C2)CO1 ZINC000575576409 387023048 /nfs/dbraw/zinc/02/30/48/387023048.db2.gz SQBNCASTWIMRTF-FUXBKTLASA-N 1 0 203.307 0.274 10 0 BCAERO Cc1ccc(CN(C)[C@H]2C[NH2+]C[C@@H]2O)s1 ZINC000334880927 387023450 /nfs/dbraw/zinc/02/34/50/387023450.db2.gz IYUBHZOAULALHQ-QWRGUYRKSA-N 1 0 226.345 0.821 10 0 BCAERO [NH3+][C@H]1COCC[C@H]1NC(=O)NCc1ccccc1 ZINC000575458355 387024405 /nfs/dbraw/zinc/02/44/05/387024405.db2.gz GOONFMAZRCVWNI-NWDGAFQWSA-N 1 0 249.314 0.602 10 0 BCAERO NC(=S)[C@@H]1CC[N@@H+]([C@H]2CCOC2)C1 ZINC000575456250 387027018 /nfs/dbraw/zinc/02/70/18/387027018.db2.gz QUNLYBLELINFJA-SFYZADRCSA-N 1 0 200.307 0.383 10 0 BCAERO CN(Cc1ccccc1)C1=[NH+]C[C@@H](O)CN1 ZINC000575455666 387028012 /nfs/dbraw/zinc/02/80/12/387028012.db2.gz XAAZCCVFLHYJJU-UHFFFAOYSA-N 1 0 219.288 0.439 10 0 BCAERO [NH3+][C@@H]1CCOC[C@@H]1S[C@@H]1CCOC1 ZINC000575576414 387028679 /nfs/dbraw/zinc/02/86/79/387028679.db2.gz SQRHCRBVXBICOI-HLTSFMKQSA-N 1 0 203.307 0.625 10 0 BCAERO O[C@@H](c1cncs1)[C@H]1C[NH2+]CCO1 ZINC000575456758 387029366 /nfs/dbraw/zinc/02/93/66/387029366.db2.gz OKOSKJDKVSSMJW-HTRCEHHLSA-N 1 0 200.263 0.165 10 0 BCAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]Cc1ccno1 ZINC000389592037 387069304 /nfs/dbraw/zinc/06/93/04/387069304.db2.gz MNHJUFVATJCWLU-IONNQARKSA-N 1 0 209.249 0.431 10 0 BCAERO COC(=O)C(C)(C)NC(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000070575230 387069761 /nfs/dbraw/zinc/06/97/61/387069761.db2.gz IYGJXPICDMBKJA-IUCAKERBSA-N 1 0 242.319 0.572 10 0 BCAERO C[C@H]1NC(=O)CC[C@H]1[NH2+]Cc1ccno1 ZINC000389592038 387069708 /nfs/dbraw/zinc/06/97/08/387069708.db2.gz MNHJUFVATJCWLU-VXNVDRBHSA-N 1 0 209.249 0.431 10 0 BCAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1CC(=O)N(C)C ZINC000246342162 387076111 /nfs/dbraw/zinc/07/61/11/387076111.db2.gz UVJJIXMEHSHJJN-NEPJUHHUSA-N 1 0 239.363 0.633 10 0 BCAERO [NH3+]CC1(N2CCC=C(Cl)C2)COC1 ZINC000575468046 387080575 /nfs/dbraw/zinc/08/05/75/387080575.db2.gz XOIPBIKHZDPVNA-UHFFFAOYSA-N 1 0 202.685 0.543 10 0 BCAERO COc1cc(N2C[C@@H](C[NH3+])C[C@@H]2C)ncn1 ZINC000127006690 387092252 /nfs/dbraw/zinc/09/22/52/387092252.db2.gz IIQKPUNGELMUJK-DTWKUNHWSA-N 1 0 222.292 0.659 10 0 BCAERO CC[C@](C)(O)C[NH+]1CCN(CC(C)(C)O)CC1 ZINC000119422682 387132098 /nfs/dbraw/zinc/13/20/98/387132098.db2.gz NMLHTLQEEBHWOD-ZDUSSCGKSA-N 1 0 244.379 0.536 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N1CCCC[C@@H](C)C1 ZINC000335027773 387121024 /nfs/dbraw/zinc/12/10/24/387121024.db2.gz JRKLZTRVBWPSKY-NXEZZACHSA-N 1 0 214.309 0.609 10 0 BCAERO CC[C@H]1CN(C(=O)C2([NH3+])CCOCC2)CCO1 ZINC000127752815 387123032 /nfs/dbraw/zinc/12/30/32/387123032.db2.gz CGQFRVPNFVCYMX-JTQLQIEISA-N 1 0 242.319 0.132 10 0 BCAERO CC[C@](C)(O)C[N@@H+]1C[C@@H](CO)OC(C)(C)C1 ZINC000228938450 387128487 /nfs/dbraw/zinc/12/84/87/387128487.db2.gz FIDZFFPOHLBJPV-JQWIXIFHSA-N 1 0 231.336 0.619 10 0 BCAERO CN(c1ccc(Br)nn1)C1C[NH2+]C1 ZINC000575586523 387148055 /nfs/dbraw/zinc/14/80/55/387148055.db2.gz DJNHCZLESQLQQX-UHFFFAOYSA-N 1 0 243.108 0.647 10 0 BCAERO CC(C)OCCNC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000186876965 387150773 /nfs/dbraw/zinc/15/07/73/387150773.db2.gz DYSIDLZCXMFVCK-LLVKDONJSA-N 1 0 243.351 0.757 10 0 BCAERO COc1cc([C@H]2[NH2+]CC[C@@H]2O)ccc1O ZINC000107208080 387153461 /nfs/dbraw/zinc/15/34/61/387153461.db2.gz AZOWGSRWOSHKRG-GXSJLCMTSA-N 1 0 209.245 0.796 10 0 BCAERO [NH3+]C1(CN2CCN(c3ncccn3)CC2)CC1 ZINC000088131096 387155357 /nfs/dbraw/zinc/15/53/57/387155357.db2.gz YNGQCAJJLXNVKO-UHFFFAOYSA-N 1 0 233.319 0.090 10 0 BCAERO CCCN1CC(=O)Nc2cc(C[NH3+])cnc21 ZINC000536952194 387165822 /nfs/dbraw/zinc/16/58/22/387165822.db2.gz BQBICUQNCVXHMO-UHFFFAOYSA-N 1 0 220.276 0.709 10 0 BCAERO CC(C)(C)[N@@H+]1CC[C@@H](NC(N)=S)C1 ZINC000575482968 387186149 /nfs/dbraw/zinc/18/61/49/387186149.db2.gz ZFHXGUAIJRHDTO-SSDOTTSWSA-N 1 0 201.339 0.692 10 0 BCAERO C[NH+](C)[C@@H]1CCN(C(=O)Cc2cccc(N)c2)C1 ZINC000062964299 387187357 /nfs/dbraw/zinc/18/73/57/387187357.db2.gz NATPQMJRDQGMOZ-CYBMUJFWSA-N 1 0 247.342 0.974 10 0 BCAERO CSC[C@@H](O)CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000187883817 387217982 /nfs/dbraw/zinc/21/79/82/387217982.db2.gz ALUNYPKOGAOIEU-MNOVXSKESA-N 1 0 230.377 0.490 10 0 BCAERO CC[C@](C)(O)C[N@@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000229875531 387199687 /nfs/dbraw/zinc/19/96/87/387199687.db2.gz CBQBGUPUSMFNIU-PWSUYJOCSA-N 1 0 226.320 0.454 10 0 BCAERO CC(C)CCC[N@@H+]1C[C@H](O)C[C@@H]1CO ZINC000372640613 387317161 /nfs/dbraw/zinc/31/71/61/387317161.db2.gz PUQITMTXDYOWIJ-GHMZBOCLSA-N 1 0 201.310 0.850 10 0 BCAERO C[C@H]1C[NH+]=C(NCC2SCCS2)N1 ZINC000575491309 387276858 /nfs/dbraw/zinc/27/68/58/387276858.db2.gz HISUTZYVUCILPU-LURJTMIESA-N 1 0 217.363 0.730 10 0 BCAERO C[C@H]1C[C@H]([NH2+][C@H]2CCC(=O)N[C@H]2C)CCN1C ZINC000392942949 387302932 /nfs/dbraw/zinc/30/29/32/387302932.db2.gz QRBDWZXZFHWXFC-YFKTTZPYSA-N 1 0 239.363 0.726 10 0 BCAERO C[C@@H]1C[C@@H]([NH2+][C@H]2CCC(=O)N[C@H]2C)CCN1C ZINC000392942948 387303070 /nfs/dbraw/zinc/30/30/70/387303070.db2.gz QRBDWZXZFHWXFC-RHYQMDGZSA-N 1 0 239.363 0.726 10 0 BCAERO CC(C)NC(=O)CC[NH2+][C@H]1CCC(=O)N[C@H]1C ZINC000392919999 387303193 /nfs/dbraw/zinc/30/31/93/387303193.db2.gz JEQKTNUTOHLOJB-UWVGGRQHSA-N 1 0 241.335 0.158 10 0 BCAERO COc1ncccc1C[NH2+][C@H]1CCC(=O)N[C@H]1C ZINC000392984408 387306273 /nfs/dbraw/zinc/30/62/73/387306273.db2.gz UBEDZHNQQHFORD-ONGXEEELSA-N 1 0 249.314 0.847 10 0 BCAERO COc1ncccc1C[NH2+][C@@H]1CCC(=O)N[C@@H]1C ZINC000392984406 387306854 /nfs/dbraw/zinc/30/68/54/387306854.db2.gz UBEDZHNQQHFORD-MWLCHTKSSA-N 1 0 249.314 0.847 10 0 BCAERO CCN(CC)C(=O)C[NH2+][C@@H]1CCC(=O)N[C@H]1C ZINC000393000874 387307830 /nfs/dbraw/zinc/30/78/30/387307830.db2.gz KPIUVLILMVNAFD-VHSXEESVSA-N 1 0 241.335 0.112 10 0 BCAERO COc1ncc([C@H]2C[C@@H]([NH3+])CO2)s1 ZINC000575508124 387370104 /nfs/dbraw/zinc/37/01/04/387370104.db2.gz KINWELODXLONRD-PHDIDXHHSA-N 1 0 200.263 0.940 10 0 BCAERO [NH3+][C@]1([C@@H](O)c2cncs2)CCOC1 ZINC000575505668 387372781 /nfs/dbraw/zinc/37/27/81/387372781.db2.gz QNGZPPMGPANEMM-JGVFFNPUSA-N 1 0 200.263 0.294 10 0 BCAERO [NH3+]C1CC(CN=S2(=O)CCCC2)C1 ZINC000575497186 387326256 /nfs/dbraw/zinc/32/62/56/387326256.db2.gz FCJHKYNYMZNZSX-UHFFFAOYSA-N 1 0 202.323 0.986 10 0 BCAERO [NH3+]CC1(Nc2nc(Cl)cs2)COC1 ZINC000575595005 387329845 /nfs/dbraw/zinc/32/98/45/387329845.db2.gz RJIBVTNQZWBNND-UHFFFAOYSA-N 1 0 219.697 0.936 10 0 BCAERO Cc1cnn(C)c1C[NH2+]C[C@H]1CCC[C@H]1O ZINC000286688435 387337183 /nfs/dbraw/zinc/33/71/83/387337183.db2.gz VWAZEVBOSUCARB-ZYHUDNBSSA-N 1 0 223.320 0.979 10 0 BCAERO O[C@H]1CNC(S[C@@H]2CCSC2)=[NH+]C1 ZINC000575498804 387344214 /nfs/dbraw/zinc/34/42/14/387344214.db2.gz DJVHPQGGGMTBHQ-SSDOTTSWSA-N 1 0 218.347 0.545 10 0 BCAERO C[C@@H]1CS[C@@](C)([C@H]2C[NH2+]CCO2)N1 ZINC000575517892 387434747 /nfs/dbraw/zinc/43/47/47/387434747.db2.gz NXEIBGMJBPATLK-HLTSFMKQSA-N 1 0 202.323 0.416 10 0 BCAERO C[C@@H]1CC[C@H](C[NH3+])N([S@@](C)=O)[C@@H]1C ZINC000575519223 387441748 /nfs/dbraw/zinc/44/17/48/387441748.db2.gz HSTKCMJKNMGULY-WBPNIITGSA-N 1 0 204.339 0.728 10 0 BCAERO O=C(C[NH2+]C1CC1)N1CCN2CCCC[C@@H]2C1 ZINC000037812756 387442242 /nfs/dbraw/zinc/44/22/42/387442242.db2.gz WMMKQEMLWCCZFN-GFCCVEGCSA-N 1 0 237.347 0.435 10 0 BCAERO CC(C)OCCC(=O)N1CC[C@@H]([NH3+])[C@H]1C ZINC000423667141 387393257 /nfs/dbraw/zinc/39/32/57/387393257.db2.gz KKIVTMDHYMTAGW-NXEZZACHSA-N 1 0 214.309 0.750 10 0 BCAERO COC[C@@H](NC(=O)[C@H]1CCC[NH2+]C1)C(C)C ZINC000083398952 387410523 /nfs/dbraw/zinc/41/05/23/387410523.db2.gz MZPMPFQSGXBRHK-WDEREUQCSA-N 1 0 228.336 0.773 10 0 BCAERO COCC1(NC(=O)[C@@H]2CCC[NH2+][C@H]2C)CC1 ZINC000643504125 387415775 /nfs/dbraw/zinc/41/57/75/387415775.db2.gz DXBUXZIJMJCESM-VHSXEESVSA-N 1 0 226.320 0.670 10 0 BCAERO C[C@H]1C/C(=C/CS(C)(=O)=O)CC[NH2+]1 ZINC000575515097 387419263 /nfs/dbraw/zinc/41/92/63/387419263.db2.gz NUUGRYBXNBPBGM-DHFUWRPHSA-N 1 0 203.307 0.729 10 0 BCAERO Cc1cc(CNC(=O)[C@@H]2CCC[C@H]2C[NH3+])[nH]n1 ZINC000648079670 387507405 /nfs/dbraw/zinc/50/74/05/387507405.db2.gz JQTKTSHPMBPVLM-GXSJLCMTSA-N 1 0 236.319 0.709 10 0 BCAERO Cc1cc(CNC(=O)CC[C@H]2CCC[NH2+]2)[nH]n1 ZINC000648079815 387510499 /nfs/dbraw/zinc/51/04/99/387510499.db2.gz VKOPONRBXSBAEI-SNVBAGLBSA-N 1 0 236.319 0.867 10 0 BCAERO C[NH+](C)C[C@@H]1CN(CC(C)(C)O)CCO1 ZINC000105904431 387524989 /nfs/dbraw/zinc/52/49/89/387524989.db2.gz SGYQZHXSWOILTC-SNVBAGLBSA-N 1 0 216.325 0.020 10 0 BCAERO CC[C@H](C[N@@H+]1C[C@@H](OC)C[C@H]1CO)OC ZINC000397044355 387534792 /nfs/dbraw/zinc/53/47/92/387534792.db2.gz XLUSSEHOGCWXLK-AXFHLTTASA-N 1 0 217.309 0.493 10 0 BCAERO CC(C)C[C@@H]([NH3+])C(=O)N[C@@H]1CCCN(C)C1=O ZINC000648084988 387534898 /nfs/dbraw/zinc/53/48/98/387534898.db2.gz NONCUEBWCPVNIV-NXEZZACHSA-N 1 0 241.335 0.097 10 0 BCAERO CC(C)(C)SCC[N@@H+]1C[C@@H](O)C[C@@H]1CO ZINC000374817922 387492720 /nfs/dbraw/zinc/49/27/20/387492720.db2.gz XUXMCQFWLIMPOD-ZJUUUORDSA-N 1 0 233.377 0.946 10 0 BCAERO CS(=O)(=O)c1ccc(NCC[NH3+])cc1 ZINC000035348169 387599233 /nfs/dbraw/zinc/59/92/33/387599233.db2.gz QTUNQSAPHUKRMJ-UHFFFAOYSA-N 1 0 214.290 0.461 10 0 BCAERO CCN(CC)C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000116900794 387550497 /nfs/dbraw/zinc/55/04/97/387550497.db2.gz FVZAPZDFPYYQRC-LLVKDONJSA-N 1 0 243.351 0.711 10 0 BCAERO C[C@@H]1CC[C@@]2(CS1)OC[C@@H](C[NH3+])O2 ZINC000575533699 387554159 /nfs/dbraw/zinc/55/41/59/387554159.db2.gz DYKBIMPBWQNXPN-IWSPIJDZSA-N 1 0 203.307 0.972 10 0 BCAERO C[C@@H]1CC[C@@H](N2C[C@H]([NH3+])C2=O)CS1 ZINC000575535094 387575215 /nfs/dbraw/zinc/57/52/15/387575215.db2.gz RIWHGSLOBKNLSG-PRJMDXOYSA-N 1 0 200.307 0.440 10 0 BCAERO OC1(c2ncccc2C(F)(F)F)C[NH2+]C1 ZINC000575447722 387687810 /nfs/dbraw/zinc/68/78/10/387687810.db2.gz NXVHFVQPYBKENJ-UHFFFAOYSA-N 1 0 218.178 0.891 10 0 BCAERO COC[C@H]([NH2+]C[C@H](C)N1CCOCC1)C(C)C ZINC000123466200 387699968 /nfs/dbraw/zinc/69/99/68/387699968.db2.gz CCHGHPFNEWFHDJ-STQMWFEESA-N 1 0 244.379 0.968 10 0 BCAERO COc1nc([C@@]2([NH3+])CCOC2)cs1 ZINC000575566873 387733169 /nfs/dbraw/zinc/73/31/69/387733169.db2.gz HBJRXNZUJKKKKE-MRVPVSSYSA-N 1 0 200.263 0.726 10 0 BCAERO [NH3+]CCOc1ccc(Br)nn1 ZINC000575570164 387736860 /nfs/dbraw/zinc/73/68/60/387736860.db2.gz WRKFAFNMTCLUKP-UHFFFAOYSA-N 1 0 218.054 0.577 10 0 BCAERO COC[C@H](C)NC(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000019802739 387794810 /nfs/dbraw/zinc/79/48/10/387794810.db2.gz RCDXEJPNKAXRRW-CMPLNLGQSA-N 1 0 236.315 0.708 10 0 BCAERO FC(F)COc1cc(N2CC[NH2+]CC2)ncn1 ZINC000575622687 387805679 /nfs/dbraw/zinc/80/56/79/387805679.db2.gz PWIJRQZDEWYURF-UHFFFAOYSA-N 1 0 244.245 0.530 10 0 BCAERO CC(C)C[C@H](C[NH+](C)C)NCc1cn(C)nn1 ZINC000054860422 387830355 /nfs/dbraw/zinc/83/03/55/387830355.db2.gz VNLLSJNQCCULBI-LLVKDONJSA-N 1 0 239.367 0.881 10 0 BCAERO CNC(=O)c1ccc(NC(=O)[C@@H]2CC[NH2+]C2)cc1 ZINC000062113429 387850445 /nfs/dbraw/zinc/85/04/45/387850445.db2.gz MBMBMVFDCQGYGG-SNVBAGLBSA-N 1 0 247.298 0.594 10 0 BCAERO Cc1cc(C(=O)NC[C@@H]2CN(C)CCO2)on1 ZINC000194628490 387887861 /nfs/dbraw/zinc/88/78/61/387887861.db2.gz OAASXJZPQVOZRB-SECBINFHSA-N 1 0 239.275 0.043 10 0 BCAERO CN1CCO[C@@H](CNC(=O)c2ccsc2)C1 ZINC000194629424 387888196 /nfs/dbraw/zinc/88/81/96/387888196.db2.gz SLDMFIGRHSXMSO-JTQLQIEISA-N 1 0 240.328 0.809 10 0 BCAERO CN1CCO[C@H](CNC(=O)C[C@H]2C=CCC2)C1 ZINC000194628409 387888476 /nfs/dbraw/zinc/88/84/76/387888476.db2.gz DKMUOVWLDOVEFK-NWDGAFQWSA-N 1 0 238.331 0.790 10 0 BCAERO COCC(C)(C)NC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000158042562 387888661 /nfs/dbraw/zinc/88/86/61/387888661.db2.gz BDBNGJYKZHKKAX-IUCAKERBSA-N 1 0 214.309 0.655 10 0 BCAERO CC(C)C[C@@H]([NH3+])C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000019510379 387917052 /nfs/dbraw/zinc/91/70/52/387917052.db2.gz ZGVRDNHZUCTPOC-NXEZZACHSA-N 1 0 241.335 0.084 10 0 BCAERO Cn1nccc1C1CC[NH+](CCCO)CC1 ZINC000195513238 387921610 /nfs/dbraw/zinc/92/16/10/387921610.db2.gz IYPYIMFNNAAUFL-UHFFFAOYSA-N 1 0 223.320 0.982 10 0 BCAERO COC(=O)C(C)(C)CNC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000237112883 387923499 /nfs/dbraw/zinc/92/34/99/387923499.db2.gz PUCMIZZDZNKUJZ-BDAKNGLRSA-N 1 0 242.319 0.429 10 0 BCAERO C[C@H](O)CCN(C)C(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000226360621 387947463 /nfs/dbraw/zinc/94/74/63/387947463.db2.gz ATVLEXWLPALJTC-IVZWLZJFSA-N 1 0 214.309 0.343 10 0 BCAERO CC[C@](C)(C[NH2+]C[C@H]1CN(C)CCO1)OC ZINC000322685451 387969049 /nfs/dbraw/zinc/96/90/49/387969049.db2.gz JGQDRSZSYVJEKG-NWDGAFQWSA-N 1 0 230.352 0.722 10 0 BCAERO CC(C)COC(=O)CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000245643729 387970215 /nfs/dbraw/zinc/97/02/15/387970215.db2.gz ZPFZBBWLWHBZKW-LBPRGKRZSA-N 1 0 240.347 0.966 10 0 BCAERO Cn1nccc1CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000245744170 387979947 /nfs/dbraw/zinc/97/99/47/387979947.db2.gz MKLAQQJEEXWKQD-LBPRGKRZSA-N 1 0 220.320 0.700 10 0 BCAERO CO[C@H]1CCN(C(=O)[C@H]2CCC[NH2+][C@H]2C)C1 ZINC000423200805 387988385 /nfs/dbraw/zinc/98/83/85/387988385.db2.gz GJYSLXXETYZDND-DCAQKATOSA-N 1 0 226.320 0.622 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)N2CC[C@@H]([NH+](C)C)C2)O1 ZINC000245982410 388000236 /nfs/dbraw/zinc/00/02/36/388000236.db2.gz HBQCVBFQBFJAEH-GMTAPVOTSA-N 1 0 226.320 0.716 10 0 BCAERO CC[C@H](C(N)=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000246132610 388012911 /nfs/dbraw/zinc/01/29/11/388012911.db2.gz CKWOHVXBSFQGAT-WDEREUQCSA-N 1 0 225.336 0.420 10 0 BCAERO C[C@H](O)C1CCN(C(=O)[C@@H]2CCC[NH2+]C2)CC1 ZINC000082280866 388022237 /nfs/dbraw/zinc/02/22/37/388022237.db2.gz UTAGHZVGYZXYQL-CMPLNLGQSA-N 1 0 240.347 0.605 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)NCc1ccncc1 ZINC000082559012 388036985 /nfs/dbraw/zinc/03/69/85/388036985.db2.gz UQLZYTLLJHWRHE-MWLCHTKSSA-N 1 0 219.288 0.553 10 0 BCAERO CC[C@H]([NH3+])CNc1ccc(C(=O)OC)nn1 ZINC000082579306 388037581 /nfs/dbraw/zinc/03/75/81/388037581.db2.gz ZYZWKKGMUWMZDP-ZETCQYMHSA-N 1 0 224.264 0.412 10 0 BCAERO [NH3+][C@@H]1CC[C@H](C(=O)N2CCSCC2)C1 ZINC000085009606 388083049 /nfs/dbraw/zinc/08/30/49/388083049.db2.gz XKPPECRRLCYGKD-DTWKUNHWSA-N 1 0 214.334 0.689 10 0 BCAERO C[NH2+]C[C@@H]1CCCN(c2ccnc(N(C)C)n2)C1 ZINC000085432080 388088977 /nfs/dbraw/zinc/08/89/77/388088977.db2.gz IGRVWYDJZHYZHS-NSHDSACASA-N 1 0 249.362 0.978 10 0 BCAERO C[C@H]([NH3+])CS(=O)(=O)c1cccs1 ZINC000071509364 388095814 /nfs/dbraw/zinc/09/58/14/388095814.db2.gz YVXMPMDMIVRHOC-LURJTMIESA-N 1 0 205.304 0.869 10 0 BCAERO CCCCOC[C@H](O)C[N@H+](CC(N)=O)C(C)C ZINC000195126652 388097790 /nfs/dbraw/zinc/09/77/90/388097790.db2.gz USYAZYRQRDVMQP-LLVKDONJSA-N 1 0 246.351 0.360 10 0 BCAERO CCCCOC[C@@H](O)C[N@H+](CC(N)=O)C(C)C ZINC000195126668 388097826 /nfs/dbraw/zinc/09/78/26/388097826.db2.gz USYAZYRQRDVMQP-NSHDSACASA-N 1 0 246.351 0.360 10 0 BCAERO COCCOCCN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000086895657 388110558 /nfs/dbraw/zinc/11/05/58/388110558.db2.gz XFBZFLVDEAVEPC-GFCCVEGCSA-N 1 0 228.336 0.429 10 0 BCAERO CC(C)(C[NH3+])C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000086932100 388111553 /nfs/dbraw/zinc/11/15/53/388111553.db2.gz MXDIJEPSDPMADA-JTQLQIEISA-N 1 0 225.336 0.278 10 0 BCAERO Cc1c(C[NH2+]CCC[S@](C)=O)cnn1C ZINC000160149273 388048469 /nfs/dbraw/zinc/04/84/69/388048469.db2.gz FGFJHIMIYOEFSZ-OAHLLOKOSA-N 1 0 229.349 0.587 10 0 BCAERO CC(C)[C@@H]([NH3+])CC(=O)N1CC[C@@]2(CCOC2)C1 ZINC000646215331 388166352 /nfs/dbraw/zinc/16/63/52/388166352.db2.gz FISVXNAPBLTEHE-WCQYABFASA-N 1 0 240.347 0.999 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)N1CC[C@]2(CCOC2)C1 ZINC000646215332 388166410 /nfs/dbraw/zinc/16/64/10/388166410.db2.gz FISVXNAPBLTEHE-YPMHNXCESA-N 1 0 240.347 0.999 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N1[C@H](C)COC[C@@H]1C ZINC000449291683 388167890 /nfs/dbraw/zinc/16/78/90/388167890.db2.gz NJZJKBNMDTXQBI-CHWFTXMASA-N 1 0 226.320 0.478 10 0 BCAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)[C@@H]1CCCS1 ZINC000261528429 135153469 /nfs/dbraw/zinc/15/34/69/135153469.db2.gz LPWQNLMENIBKSB-HLTSFMKQSA-N 1 0 214.334 0.830 10 0 BCAERO Cn1ncnc1C[NH2+]C[C@@H](O)C(C)(C)C ZINC000324440264 388119252 /nfs/dbraw/zinc/11/92/52/388119252.db2.gz DGIICSXBVDPQRI-MRVPVSSYSA-N 1 0 212.297 0.312 10 0 BCAERO CO[C@H](C)CCC(=O)N1CCC[C@H]([NH3+])C1 ZINC000166699022 388254843 /nfs/dbraw/zinc/25/48/43/388254843.db2.gz UHZWBBUXIULVIH-ZJUUUORDSA-N 1 0 214.309 0.751 10 0 BCAERO C[C@@H]1CN(c2ncc(Cl)cn2)C[C@H]1[NH3+] ZINC000261528561 135154567 /nfs/dbraw/zinc/15/45/67/135154567.db2.gz LYOKIAUQXHUXCK-HTRCEHHLSA-N 1 0 212.684 0.913 10 0 BCAERO CC1CC[NH+](CCN2CCO[C@H](CO)C2)CC1 ZINC000489895442 388228505 /nfs/dbraw/zinc/22/85/05/388228505.db2.gz GYCNYBKQJIEYNL-ZDUSSCGKSA-N 1 0 242.363 0.411 10 0 BCAERO C[C@H](C[NH3+])Nc1ncncc1Br ZINC000085466798 256568001 /nfs/dbraw/zinc/56/80/01/256568001.db2.gz ZIHQXGZEAWDXGN-RXMQYKEDSA-N 1 0 231.097 0.998 10 0 BCAERO C[NH2+][C@H](C)CNC(=O)[C@@H]1[C@H](C)O[C@@H](C)[C@H]1C ZINC000300040916 388345768 /nfs/dbraw/zinc/34/57/68/388345768.db2.gz KAEBXSJLJRKAKU-UVOCVTCTSA-N 1 0 228.336 0.770 10 0 BCAERO O=C(NC[C@@H]1COCC[NH2+]1)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000300046215 388345831 /nfs/dbraw/zinc/34/58/31/388345831.db2.gz ROLPJHAXTXLTNC-LMLFDSFASA-N 1 0 224.304 0.137 10 0 BCAERO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H]1CCC[C@@H](O)C1 ZINC000646417992 388354471 /nfs/dbraw/zinc/35/44/71/388354471.db2.gz SFNXOWAMZCVLNE-WYUUTHIRSA-N 1 0 240.347 0.794 10 0 BCAERO CCc1nnc(C)cc1C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000234161020 388354666 /nfs/dbraw/zinc/35/46/66/388354666.db2.gz JBRDAZYEMCAJTR-LDYMZIIASA-N 1 0 248.330 0.767 10 0 BCAERO CC1(C2CCS(=O)(=O)CC2)C[NH2+]C1 ZINC000575518563 388355479 /nfs/dbraw/zinc/35/54/79/388355479.db2.gz ZVCKHAJGXAOWJJ-UHFFFAOYSA-N 1 0 203.307 0.421 10 0 BCAERO O=[S@]1CC[NH2+][C@@H]2CCC(F)(F)C[C@@H]21 ZINC000575520849 388356878 /nfs/dbraw/zinc/35/68/78/388356878.db2.gz SYHXNGIPGSUXDL-HHSDFAELSA-N 1 0 209.261 0.895 10 0 BCAERO CC1(C)C[NH2+][C@@H]1C(=O)NC[C@H]1CCC[C@H]1O ZINC000646428443 388357684 /nfs/dbraw/zinc/35/76/84/388357684.db2.gz NBDNENFVCFHSCG-OPRDCNLKSA-N 1 0 226.320 0.262 10 0 BCAERO CC1CN(C(=O)[C@@H]2C[NH2+]CCS2)C1 ZINC000575523366 388358631 /nfs/dbraw/zinc/35/86/31/388358631.db2.gz QLXJULXNZAJAPH-QMMMGPOBSA-N 1 0 200.307 0.170 10 0 BCAERO C[C@H]([NH3+])C(=O)Nc1cnn(C)c1Br ZINC000575523191 388358786 /nfs/dbraw/zinc/35/87/86/388358786.db2.gz ODLFVIXSMOSDLY-BYPYZUCNSA-N 1 0 247.096 0.468 10 0 BCAERO CNC(=[NH2+])Nc1cnn(C)c1Br ZINC000575522384 388358935 /nfs/dbraw/zinc/35/89/35/388358935.db2.gz CEDDMIHWLXFZFU-UHFFFAOYSA-N 1 0 232.085 0.749 10 0 BCAERO CCN(C)C(=O)C[NH2+]C[C@@H](O)C(C)(C)C ZINC000308777611 388364239 /nfs/dbraw/zinc/36/42/39/388364239.db2.gz JBGLGRTZSVYGQV-SECBINFHSA-N 1 0 216.325 0.461 10 0 BCAERO C[C@@H](O)C1CCN(C(=O)[C@@H](C)C[NH3+])CC1 ZINC000235237863 388366360 /nfs/dbraw/zinc/36/63/60/388366360.db2.gz CTEWRGXFDMCUEZ-DTWKUNHWSA-N 1 0 214.309 0.201 10 0 BCAERO C[C@@H](O)C1CCN(C(=O)[C@H](C)C[NH3+])CC1 ZINC000235238561 388366841 /nfs/dbraw/zinc/36/68/41/388366841.db2.gz CTEWRGXFDMCUEZ-RKDXNWHRSA-N 1 0 214.309 0.201 10 0 BCAERO C[C@@H](NC(=O)[C@@H]1C[NH2+]C[C@H]1C)C1CCOCC1 ZINC000235296675 388367330 /nfs/dbraw/zinc/36/73/30/388367330.db2.gz DRGYKFUKADQUDD-CKYFFXLPSA-N 1 0 240.347 0.773 10 0 BCAERO CC1(C)CN(S(=O)(=O)C2CC2)CC[C@H]1[NH3+] ZINC000261534231 135166583 /nfs/dbraw/zinc/16/65/83/135166583.db2.gz LXDZEUAEFONVRN-SECBINFHSA-N 1 0 232.349 0.538 10 0 BCAERO C[C@H](C[NH3+])C(=O)N1CCC([C@H](C)O)CC1 ZINC000235524599 388370698 /nfs/dbraw/zinc/37/06/98/388370698.db2.gz CTEWRGXFDMCUEZ-BDAKNGLRSA-N 1 0 214.309 0.201 10 0 BCAERO COC[C@@H](O)C[NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000519534801 256650491 /nfs/dbraw/zinc/65/04/91/256650491.db2.gz DKZGRQGFVUTUEZ-USZNOCQGSA-N 1 0 231.336 0.787 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N(C)C[C@H]1CCOC1 ZINC000237036667 388384298 /nfs/dbraw/zinc/38/42/98/388384298.db2.gz UTYCGUAUZWYBTQ-ZJUUUORDSA-N 1 0 214.309 0.609 10 0 BCAERO CCC[C@H]([NH3+])C(=O)NC[C@@H](C)C(=O)OC ZINC000236864372 388384885 /nfs/dbraw/zinc/38/48/85/388384885.db2.gz NXLCDOUVJNOLME-SFYZADRCSA-N 1 0 216.281 0.039 10 0 BCAERO Cc1nocc1C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000402759074 388394173 /nfs/dbraw/zinc/39/41/73/388394173.db2.gz YUQHZYIZTSHHGB-LURJTMIESA-N 1 0 237.181 0.602 10 0 BCAERO CO[C@@H]1C[C@H](CO)[N@H+](C[C@H]2CCCO2)C1 ZINC000339183688 388480243 /nfs/dbraw/zinc/48/02/43/388480243.db2.gz QZARUOSHPIIMJO-GMTAPVOTSA-N 1 0 215.293 0.247 10 0 BCAERO CN(Cc1cc[nH]n1)C(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000336577030 388458714 /nfs/dbraw/zinc/45/87/14/388458714.db2.gz QEBDGYJRKOZVTK-GFCCVEGCSA-N 1 0 236.319 0.900 10 0 BCAERO CCOC[C@H]([NH2+]C[C@H]1CNC(=O)O1)C(C)C ZINC000309619187 388459180 /nfs/dbraw/zinc/45/91/80/388459180.db2.gz DTGLPCXTHVCNFG-UWVGGRQHSA-N 1 0 230.308 0.746 10 0 BCAERO C[C@H](CO)S[C@H]1C[NH2+]CC[C@@]1(C)O ZINC000300867895 388459652 /nfs/dbraw/zinc/45/96/52/388459652.db2.gz KEBKJPSKQHCHII-HRDYMLBCSA-N 1 0 205.323 0.213 10 0 BCAERO COC(=O)C1(N)CCN(c2cc[nH+]cc2)CC1 ZINC000139639884 388466586 /nfs/dbraw/zinc/46/65/86/388466586.db2.gz QXVKPRXVACURDU-UHFFFAOYSA-N 1 0 235.287 0.552 10 0 BCAERO Cc1nocc1C[NH2+]CCn1cncn1 ZINC000339208928 388481615 /nfs/dbraw/zinc/48/16/15/388481615.db2.gz QVXNIDAVCJHASE-UHFFFAOYSA-N 1 0 207.237 0.364 10 0 BCAERO COC(=O)NCC[NH2+][C@@H]1CCCC[C@H]1O ZINC000308282640 388434709 /nfs/dbraw/zinc/43/47/09/388434709.db2.gz YMRSAFWGOQGXOJ-RKDXNWHRSA-N 1 0 216.281 0.236 10 0 BCAERO Cc1cnccc1C[N@@H+]1CCC[C@@](O)(C(N)=O)C1 ZINC000528502988 388537698 /nfs/dbraw/zinc/53/76/98/388537698.db2.gz JIFHQMHTKOJBKH-ZDUSSCGKSA-N 1 0 249.314 0.202 10 0 BCAERO O=C(N1CCCC1)N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000085961632 256776811 /nfs/dbraw/zinc/77/68/11/256776811.db2.gz ZRSXQPBRCLQJAT-UWVGGRQHSA-N 1 0 209.293 0.353 10 0 BCAERO Cc1cnn(CC[NH2+][C@@H]2CCC(=O)N[C@@H]2C)c1 ZINC000342135527 388496156 /nfs/dbraw/zinc/49/61/56/388496156.db2.gz QWVONXMHTFRDBB-GHMZBOCLSA-N 1 0 236.319 0.448 10 0 BCAERO Cn1nccc1[C@@H]1OCC[C@H]1C[NH2+]CCO ZINC000343350040 388499815 /nfs/dbraw/zinc/49/98/15/388499815.db2.gz CDRPHKUEAWWNSM-GXSJLCMTSA-N 1 0 225.292 0.080 10 0 BCAERO C[C@@H](NC(=O)[C@@H]1C[NH2+]CCOC1)c1ccccn1 ZINC000649277527 388500680 /nfs/dbraw/zinc/50/06/80/388500680.db2.gz BZKDWCYIBMWUQL-GHMZBOCLSA-N 1 0 249.314 0.495 10 0 BCAERO CCC[C@@H](C(=O)N(C)CCC(=O)NC)[NH+](C)C ZINC000178656746 388503178 /nfs/dbraw/zinc/50/31/78/388503178.db2.gz LREWYGGPWYTBRG-JTQLQIEISA-N 1 0 243.351 0.311 10 0 BCAERO COC[C@]1(C(=O)Nc2ccnc(C)c2)CCC[NH2+]1 ZINC000649279634 388507684 /nfs/dbraw/zinc/50/76/84/388507684.db2.gz FRRVZCMMZXRSCO-ZDUSSCGKSA-N 1 0 249.314 0.519 10 0 BCAERO COC(=O)c1cc(C(=O)OC)c[n+](C)c1 ZINC000000334998 388586164 /nfs/dbraw/zinc/58/61/64/388586164.db2.gz LKSLIMSPIKSPAH-UHFFFAOYSA-N 1 0 210.209 0.084 10 0 BCAERO CC[C@](C)(C[NH3+])[C@@H]1CCS(=O)(=O)C1 ZINC000054637133 388594654 /nfs/dbraw/zinc/59/46/54/388594654.db2.gz NOOHQFKGYIVHTO-RKDXNWHRSA-N 1 0 205.323 0.796 10 0 BCAERO [NH3+]Cc1cnc(N2CCS(=O)CC2)s1 ZINC000054897157 388595150 /nfs/dbraw/zinc/59/51/50/388595150.db2.gz FNMCFTAVUZRUHF-UHFFFAOYSA-N 1 0 231.346 0.171 10 0 BCAERO CC(C)N1CC[C@@H]([NH2+][C@@H]2CCO[C@@H]2C)C1=O ZINC000089729473 388555372 /nfs/dbraw/zinc/55/53/72/388555372.db2.gz IZNGCTLJHPPUAS-GMTAPVOTSA-N 1 0 226.320 0.763 10 0 BCAERO CCC[C@H](C(=O)NCC(F)(F)CO)[NH+](C)C ZINC000183876668 388571560 /nfs/dbraw/zinc/57/15/60/388571560.db2.gz ACABQEZWUYVQFC-MRVPVSSYSA-N 1 0 238.278 0.461 10 0 BCAERO CCCCNC(=O)C[N@@H+]1CCC[C@H](O)[C@H]1C ZINC000385060701 388573701 /nfs/dbraw/zinc/57/37/01/388573701.db2.gz USHLSPAWVGECGZ-MNOVXSKESA-N 1 0 228.336 0.748 10 0 BCAERO C[C@@H]1C[C@H]([NH3+])CN1c1ncnc2c1cnn2C ZINC000385066646 388573746 /nfs/dbraw/zinc/57/37/46/388573746.db2.gz CBWQKRFKFKUIGB-SFYZADRCSA-N 1 0 232.291 0.289 10 0 BCAERO Cc1cccc(CNC(=O)[C@H]2C[NH2+]CCOC2)n1 ZINC000649296576 388574487 /nfs/dbraw/zinc/57/44/87/388574487.db2.gz RXSSPIKWBNBCBA-NSHDSACASA-N 1 0 249.314 0.242 10 0 BCAERO CC[N@@H+]1CCC[C@@H]1CN(C)[C@H](C)C(=O)OC ZINC000245428091 388578707 /nfs/dbraw/zinc/57/87/07/388578707.db2.gz MKVOHJOMHWEDQK-GHMZBOCLSA-N 1 0 228.336 0.964 10 0 BCAERO CC[C@@H]1CN(C[C@H](C)OC)CC[N@@H+]1C[C@H](C)O ZINC000248406462 388678789 /nfs/dbraw/zinc/67/87/89/388678789.db2.gz BCOKGBRWDQQTDF-RWMBFGLXSA-N 1 0 244.379 0.798 10 0 BCAERO C[NH2+][C@H](C)C(=O)NCCOC1CCCC1 ZINC000082627810 388618889 /nfs/dbraw/zinc/61/88/89/388618889.db2.gz CIBSMZCHAITGNT-SECBINFHSA-N 1 0 214.309 0.670 10 0 BCAERO C[C@@H](C(N)=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000246133026 388619092 /nfs/dbraw/zinc/61/90/92/388619092.db2.gz CPDKDKLQIFWDRC-UWVGGRQHSA-N 1 0 211.309 0.030 10 0 BCAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ncnn1C ZINC000246131902 388619206 /nfs/dbraw/zinc/61/92/06/388619206.db2.gz FNWQJYIUXYTQIJ-QWRGUYRKSA-N 1 0 235.335 0.484 10 0 BCAERO CCOCCC(=O)N1CC[C@H]2OCC[NH2+][C@@H]2C1 ZINC000403978391 388632592 /nfs/dbraw/zinc/63/25/92/388632592.db2.gz FEBWUPIYYKRBLC-GHMZBOCLSA-N 1 0 242.319 0.002 10 0 BCAERO CCOc1nccnc1N1CCO[C@H](C[NH3+])C1 ZINC000521845407 388634696 /nfs/dbraw/zinc/63/46/96/388634696.db2.gz NGLISKJKVJKJKS-SECBINFHSA-N 1 0 238.291 0.039 10 0 BCAERO CCC(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000246795287 388651395 /nfs/dbraw/zinc/65/13/95/388651395.db2.gz QZOKHYSZAYXXEY-UWVGGRQHSA-N 1 0 214.309 0.310 10 0 BCAERO CCOCCN1CC[NH+](C[C@@](C)(O)CC)CC1 ZINC000123540446 388654549 /nfs/dbraw/zinc/65/45/49/388654549.db2.gz PJJMTDPAOBLNBC-ZDUSSCGKSA-N 1 0 244.379 0.802 10 0 BCAERO CC[C@@H]1CN(C(=O)C2CC2)CC[N@@H+]1C[C@H](C)O ZINC000246998805 388656818 /nfs/dbraw/zinc/65/68/18/388656818.db2.gz VOLGACRHWXWIKL-CMPLNLGQSA-N 1 0 240.347 0.700 10 0 BCAERO c1nc2n(n1)C[C@H]([NH2+]Cc1cncs1)CC2 ZINC000124263482 388661041 /nfs/dbraw/zinc/66/10/41/388661041.db2.gz AGFCLTLKJIQMEE-MRVPVSSYSA-N 1 0 235.316 0.839 10 0 BCAERO Cc1nn(C)cc1C[NH2+]CC1CC(O)C1 ZINC000127922740 388734245 /nfs/dbraw/zinc/73/42/45/388734245.db2.gz GVBVEEJVSIXRCD-UHFFFAOYSA-N 1 0 209.293 0.589 10 0 BCAERO O=C(c1ccn([C@H]2CCC[NH2+]C2)n1)N1CCCN1 ZINC000328623743 388738767 /nfs/dbraw/zinc/73/87/67/388738767.db2.gz JKPMNVRWHUYIPQ-JTQLQIEISA-N 1 0 249.318 0.158 10 0 BCAERO O[C@H](C1=CCCO1)[C@H]1CSCC[NH2+]1 ZINC000575451307 388742433 /nfs/dbraw/zinc/74/24/33/388742433.db2.gz XBKLIGFAAHDEEQ-APPZFPTMSA-N 1 0 201.291 0.357 10 0 BCAERO O[C@@]1(Cn2cc(Cl)cn2)CC[NH2+]C1 ZINC000575452162 388746606 /nfs/dbraw/zinc/74/66/06/388746606.db2.gz QXMDYFWSLRUBQE-QMMMGPOBSA-N 1 0 201.657 0.261 10 0 BCAERO C[N@H+](CCCCCO)CC1CC(O)C1 ZINC000084452661 135308602 /nfs/dbraw/zinc/30/86/02/135308602.db2.gz OIOXUIDQMHSJAV-UHFFFAOYSA-N 1 0 201.310 0.852 10 0 BCAERO [NH3+]CC1(OCCO)CCC(F)(F)CC1 ZINC000521398989 388704252 /nfs/dbraw/zinc/70/42/52/388704252.db2.gz OWLCOFRKQRHPHW-UHFFFAOYSA-N 1 0 209.236 0.902 10 0 BCAERO COC(=O)[C@@H]1CCC[N@H+](C[C@@H](O)CSC)C1 ZINC000249482317 388722646 /nfs/dbraw/zinc/72/26/46/388722646.db2.gz VTYFTHDMKZEESS-NXEZZACHSA-N 1 0 247.360 0.595 10 0 BCAERO CC(C)OC(=O)NC[C@H]1CN(C)CCO1 ZINC000127540422 388725726 /nfs/dbraw/zinc/72/57/26/388725726.db2.gz YWNFZSHHIJQKNV-VIFPVBQESA-N 1 0 216.281 0.452 10 0 BCAERO CSC[C@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000253146604 388807461 /nfs/dbraw/zinc/80/74/61/388807461.db2.gz YMYHGMVUTPPYET-OPRDCNLKSA-N 1 0 219.350 0.820 10 0 BCAERO C([C@H]1CCOC1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000252667842 388769746 /nfs/dbraw/zinc/76/97/46/388769746.db2.gz OYXRPWPMTVPOHO-NEPJUHHUSA-N 1 0 210.321 0.803 10 0 BCAERO F[C@@H]1C[NH2+]CC[C@@H]1N1CCSCC1 ZINC000575455901 388784564 /nfs/dbraw/zinc/78/45/64/388784564.db2.gz HQPAVRMXFPKSQW-BDAKNGLRSA-N 1 0 204.314 0.735 10 0 BCAERO [NH3+][C@@H]1COC[C@H]1[C@H](O)c1cnsc1 ZINC000575456483 388786919 /nfs/dbraw/zinc/78/69/19/388786919.db2.gz YQTUDJDBJPPRFS-BWZBUEFSSA-N 1 0 200.263 0.150 10 0 BCAERO O[C@H](c1cncs1)[C@@H]1CSCC[NH2+]1 ZINC000575456919 388789547 /nfs/dbraw/zinc/78/95/47/388789547.db2.gz BWJIFXKFPJKYPQ-XPUUQOCRSA-N 1 0 216.331 0.882 10 0 BCAERO F[C@@H]1CCN(C[C@@H]2C[NH2+]CCS2)C1 ZINC000575461779 388816334 /nfs/dbraw/zinc/81/63/34/388816334.db2.gz LQCLIRHWPSKRIK-BDAKNGLRSA-N 1 0 204.314 0.735 10 0 BCAERO Cc1nc(CN2CCO[C@H]3C[NH2+]C[C@H]32)oc1C ZINC000299743754 388844488 /nfs/dbraw/zinc/84/44/88/388844488.db2.gz PGPZYNBTFKLEHR-MNOVXSKESA-N 1 0 237.303 0.464 10 0 BCAERO O[C@@H](c1cnsc1)[C@H]1CSCC[NH2+]1 ZINC000575464523 388833232 /nfs/dbraw/zinc/83/32/32/388833232.db2.gz WJDTVGNEKWKKJQ-SFYZADRCSA-N 1 0 216.331 0.882 10 0 BCAERO O[C@@H](c1cnsc1)[C@@H]1CSCC[NH2+]1 ZINC000575464524 388833642 /nfs/dbraw/zinc/83/36/42/388833642.db2.gz WJDTVGNEKWKKJQ-YUMQZZPRSA-N 1 0 216.331 0.882 10 0 BCAERO C[C@@H]1CN(CCOC[C@@H]2CCCO2)C[C@@H]1[NH3+] ZINC000564644727 388879818 /nfs/dbraw/zinc/87/98/18/388879818.db2.gz RYMQWGJMHMKICQ-WOPDTQHZSA-N 1 0 228.336 0.461 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N(C)Cc1cnn(CC)c1 ZINC000564654123 388883324 /nfs/dbraw/zinc/88/33/24/388883324.db2.gz XCEZSXUIGAWVDB-NSHDSACASA-N 1 0 238.335 0.989 10 0 BCAERO NC1=[NH+]N(c2ncc(Br)cn2)CC1 ZINC000575489178 388887041 /nfs/dbraw/zinc/88/70/41/388887041.db2.gz AZQQZYGXCWHLFV-UHFFFAOYSA-N 1 0 242.080 0.931 10 0 BCAERO CCc1nnc(CN2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)n1C ZINC000565540265 388951977 /nfs/dbraw/zinc/95/19/77/388951977.db2.gz OBIXCKZOHKUVRS-DCAQKATOSA-N 1 0 249.362 0.547 10 0 BCAERO [NH2+]=C(C[C@H]1CCCCS1(=O)=O)NO ZINC000575496270 388969757 /nfs/dbraw/zinc/96/97/57/388969757.db2.gz LFKLHORNVLTJGS-ZCFIWIBFSA-N 1 0 206.267 0.300 10 0 BCAERO Cc1nc(N2CCC(C[NH3+])CC2)[nH]c(=O)c1C ZINC000045946914 132298518 /nfs/dbraw/zinc/29/85/18/132298518.db2.gz UGSABKUXDZVRFT-UHFFFAOYSA-N 1 0 236.319 0.562 10 0 BCAERO C[C@H]1CN(c2ccc(C(N)=[NH2+])cn2)CCO1 ZINC000019435537 132325226 /nfs/dbraw/zinc/32/52/26/132325226.db2.gz GRKUKAMCLVCJMV-QMMMGPOBSA-N 1 0 220.276 0.591 10 0 BCAERO CN1CCN(c2ncccc2C(N)=[NH2+])CC1 ZINC000019484488 132325441 /nfs/dbraw/zinc/32/54/41/132325441.db2.gz JWQCZZUAWJJOOC-UHFFFAOYSA-N 1 0 219.292 0.117 10 0 BCAERO NC(=[NH2+])c1ccc(N2CCOCC2)c(F)c1 ZINC000036887722 132342916 /nfs/dbraw/zinc/34/29/16/132342916.db2.gz OGGDUJZUXQPXIE-UHFFFAOYSA-N 1 0 223.251 0.946 10 0 BCAERO [NH3+]Cc1cccc(N2C(=O)COCC2=O)c1 ZINC000041044258 132349196 /nfs/dbraw/zinc/34/91/96/132349196.db2.gz YXEKYDWXJCORFD-UHFFFAOYSA-N 1 0 220.228 0.035 10 0 BCAERO Nc1c[nH+]ccc1N1CCS(=O)CC1 ZINC000049692515 132356288 /nfs/dbraw/zinc/35/62/88/132356288.db2.gz JFOAMDYWZAKEKN-UHFFFAOYSA-N 1 0 211.290 0.233 10 0 BCAERO COC(=O)CCC[N@@H+]1C[C@H](C)C[C@@H](O)C1 ZINC000401632799 533383392 /nfs/dbraw/zinc/38/33/92/533383392.db2.gz ZLMSUXQFDCCOMX-NXEZZACHSA-N 1 0 215.293 0.642 10 0 BCAERO C[C@H](C[NH3+])Nc1ncc(Br)cn1 ZINC000082662535 322825297 /nfs/dbraw/zinc/82/52/97/322825297.db2.gz QLZSFFFPXRELLB-RXMQYKEDSA-N 1 0 231.097 0.998 10 0 BCAERO C[C@@H]([NH2+]CC1CC(O)C1)c1cnn(C)c1 ZINC000084446537 322835193 /nfs/dbraw/zinc/83/51/93/322835193.db2.gz HXGCWARZETYCSE-FKTRJACZSA-N 1 0 209.293 0.842 10 0 BCAERO Cc1cccc(N2CCO[C@@H](C[NH3+])C2)n1 ZINC000041059081 132223819 /nfs/dbraw/zinc/22/38/19/132223819.db2.gz HLCKJLRGXCTYCS-JTQLQIEISA-N 1 0 207.277 0.554 10 0 BCAERO Cc1ccnc(N2CCO[C@@H](C[NH3+])C2)c1 ZINC000043561309 132225036 /nfs/dbraw/zinc/22/50/36/132225036.db2.gz UUCYYLDNDDFUTR-JTQLQIEISA-N 1 0 207.277 0.554 10 0 BCAERO NC(=O)c1cc(N2CCCC[C@H]2C[NH3+])ccn1 ZINC000044559413 132225133 /nfs/dbraw/zinc/22/51/33/132225133.db2.gz FWGBNNZNKRPQID-JTQLQIEISA-N 1 0 234.303 0.498 10 0 BCAERO Cc1cc(N2CCCC[C@@H]2C[NH3+])n2ncnc2n1 ZINC000044559384 132225169 /nfs/dbraw/zinc/22/51/69/132225169.db2.gz WCXAGWWUOPMTGG-SNVBAGLBSA-N 1 0 246.318 0.750 10 0 BCAERO Cc1cc2c(N3CC[NH2+][C@@H](C)C3)nccn2n1 ZINC000122877487 132228040 /nfs/dbraw/zinc/22/80/40/132228040.db2.gz XHRAXZTVUNPCCG-JTQLQIEISA-N 1 0 231.303 0.836 10 0 BCAERO NC(=O)c1cc(N2CCC[C@@H](CC[NH3+])C2)ccn1 ZINC000070074046 132229802 /nfs/dbraw/zinc/22/98/02/132229802.db2.gz LTCLEFBLXKIQML-JTQLQIEISA-N 1 0 248.330 0.746 10 0 BCAERO C[C@@H]1CCCN(c2ccc(C(N)=O)cn2)[C@@H]1C[NH3+] ZINC000070178483 132230329 /nfs/dbraw/zinc/23/03/29/132230329.db2.gz SRKAHRJYRDRUGJ-MWLCHTKSSA-N 1 0 248.330 0.744 10 0 BCAERO C[C@H]1C[NH2+]CCN1c1ncnc2nc[nH]c21 ZINC000054374855 132233576 /nfs/dbraw/zinc/23/35/76/132233576.db2.gz GAWSZYORAQBWMS-ZETCQYMHSA-N 1 0 218.264 0.151 10 0 BCAERO C[C@@H]1CN(c2ncc(F)cn2)[C@H](C)C[NH2+]1 ZINC000163677140 132235977 /nfs/dbraw/zinc/23/59/77/132235977.db2.gz LGEMOILJDGJXOQ-HTQZYQBOSA-N 1 0 210.256 0.802 10 0 BCAERO C[C@@H]1CN(c2ccnc(N(C)C)n2)CC[C@@H]1[NH3+] ZINC000094342672 132239079 /nfs/dbraw/zinc/23/90/79/132239079.db2.gz NLZILMQWGWJIAO-ZJUUUORDSA-N 1 0 235.335 0.716 10 0 BCAERO Cc1ccc2c(c1)C(=O)N[C@H]1C[NH2+]CCN21 ZINC000045338915 132298588 /nfs/dbraw/zinc/29/85/88/132298588.db2.gz SSFYXMCWGRBLJK-LLVKDONJSA-N 1 0 217.272 0.474 10 0 BCAERO O=C1Nc2ccccc2N2CC[NH2+]C[C@@H]12 ZINC000005162715 132317310 /nfs/dbraw/zinc/31/73/10/132317310.db2.gz FRZDVWUAWCOHDI-JTQLQIEISA-N 1 0 203.245 0.417 10 0 BCAERO C[C@@H]1Oc2cc(N)ccc2N(CC[NH+](C)C)C1=O ZINC000011568834 132319798 /nfs/dbraw/zinc/31/97/98/132319798.db2.gz SGVLWTXEQXSLOE-VIFPVBQESA-N 1 0 249.314 0.944 10 0 BCAERO NC(=[NH2+])c1ccnc(N2CCC(O)CC2)c1 ZINC000019518622 132325887 /nfs/dbraw/zinc/32/58/87/132325887.db2.gz RCJBVDZQRZDXEJ-UHFFFAOYSA-N 1 0 220.276 0.327 10 0 BCAERO NC(=[NH2+])c1ccccc1N1CCOCC1 ZINC000020075757 132329431 /nfs/dbraw/zinc/32/94/31/132329431.db2.gz NKHCMXRIJVJIBV-UHFFFAOYSA-N 1 0 205.261 0.807 10 0 BCAERO Cc1nc(N2CCN(C)CC2)nc(C)c1CC[NH3+] ZINC000020397232 132331523 /nfs/dbraw/zinc/33/15/23/132331523.db2.gz VTHVZQHVVFXIBM-UHFFFAOYSA-N 1 0 249.362 0.346 10 0 BCAERO O=C1Nc2ccc(F)cc2N2CC[NH2+]C[C@H]12 ZINC000026158578 132333466 /nfs/dbraw/zinc/33/34/66/132333466.db2.gz PNJPHDVKSHAMGL-SNVBAGLBSA-N 1 0 221.235 0.556 10 0 BCAERO CCNC(=O)c1cc(N2CC[NH2+]CC2)ccn1 ZINC000035673792 132338860 /nfs/dbraw/zinc/33/88/60/132338860.db2.gz QCEVNVNAJYPWMP-UHFFFAOYSA-N 1 0 234.303 0.241 10 0 BCAERO O=C1N[C@H]2C[NH2+]CCN2c2ccc(Cl)cc21 ZINC000035994213 132340064 /nfs/dbraw/zinc/34/00/64/132340064.db2.gz CWJOBEOKOYQOQU-SNVBAGLBSA-N 1 0 237.690 0.819 10 0 BCAERO [NH3+]Cc1ccc(N2CCC[C@H](CO)C2)nc1 ZINC000036205643 132340639 /nfs/dbraw/zinc/34/06/39/132340639.db2.gz ZNRVVXYUWQUCHU-NSHDSACASA-N 1 0 221.304 0.749 10 0 BCAERO NC(=O)Nc1ccc(N2CC[NH2+]CC2)cc1 ZINC000036287956 132341988 /nfs/dbraw/zinc/34/19/88/132341988.db2.gz HAXPTGRSZNHSHZ-UHFFFAOYSA-N 1 0 220.276 0.587 10 0 BCAERO CC[C@H]([NH3+])CN1CCN(c2ncccn2)CC1 ZINC000036871975 132342819 /nfs/dbraw/zinc/34/28/19/132342819.db2.gz ZXBOFKSIWQFQIY-NSHDSACASA-N 1 0 235.335 0.336 10 0 BCAERO C[C@@H]([NH3+])CC(=O)N1CC(=O)Nc2ccccc21 ZINC000037607353 132345047 /nfs/dbraw/zinc/34/50/47/132345047.db2.gz FKYZDOKVANSMNR-MRVPVSSYSA-N 1 0 233.271 0.709 10 0 BCAERO O=c1[nH]c(N2CC[NH2+]CC2)cc2ccccc21 ZINC000037757059 132345296 /nfs/dbraw/zinc/34/52/96/132345296.db2.gz BKRNXXZHPRGPEQ-UHFFFAOYSA-N 1 0 229.283 0.938 10 0 BCAERO C[NH2+][C@H]1Cc2c(F)cccc2N(C)C1=O ZINC000039105702 132346794 /nfs/dbraw/zinc/34/67/94/132346794.db2.gz SZDXXJLYRBZAEN-VIFPVBQESA-N 1 0 208.236 0.933 10 0 BCAERO CC1CCN(c2nc[nH+]c(NN)c2N)CC1 ZINC000040732944 132348529 /nfs/dbraw/zinc/34/85/29/132348529.db2.gz JOKKWSDIARMRDE-UHFFFAOYSA-N 1 0 222.296 0.581 10 0 BCAERO NC(=O)c1cc(N2CCC[C@@H]([NH3+])C2)ccn1 ZINC000041030290 132349170 /nfs/dbraw/zinc/34/91/70/132349170.db2.gz CBUNSCZAHOCFDY-MRVPVSSYSA-N 1 0 220.276 0.108 10 0 BCAERO NC(=O)C1CCN(c2cc(N)cc[nH+]2)CC1 ZINC000043567942 132353430 /nfs/dbraw/zinc/35/34/30/132353430.db2.gz UHSFZCPKXPMHBW-UHFFFAOYSA-N 1 0 220.276 0.366 10 0 BCAERO Cc1cccnc1N1CCN(CCC[NH3+])CC1 ZINC000051040733 132359781 /nfs/dbraw/zinc/35/97/81/132359781.db2.gz ZEVFXKMSYUZUCL-UHFFFAOYSA-N 1 0 234.347 0.861 10 0 BCAERO C[C@@H]1CN(c2cccc(C[NH3+])n2)CCO1 ZINC000051396225 132360060 /nfs/dbraw/zinc/36/00/60/132360060.db2.gz SXSXSHWADZNAAX-SECBINFHSA-N 1 0 207.277 0.765 10 0 BCAERO C[C@H]1COCCN1c1cccc(C[NH3+])n1 ZINC000051396846 132360347 /nfs/dbraw/zinc/36/03/47/132360347.db2.gz ARRFXHMMMJPRGL-VIFPVBQESA-N 1 0 207.277 0.765 10 0 BCAERO CC1(C)COCCN1c1ccc(C[NH3+])nn1 ZINC000051397847 132360410 /nfs/dbraw/zinc/36/04/10/132360410.db2.gz CBBFYTZDPBZBRS-UHFFFAOYSA-N 1 0 222.292 0.551 10 0 BCAERO C[C@@H]1COCCN1c1ccc(C[NH3+])nn1 ZINC000051396857 132360471 /nfs/dbraw/zinc/36/04/71/132360471.db2.gz JJDKELYLONFEDM-MRVPVSSYSA-N 1 0 208.265 0.160 10 0 BCAERO Nc1ccc(F)c(F)c1N1CC[NH2+]CC1 ZINC000053167637 132362912 /nfs/dbraw/zinc/36/29/12/132362912.db2.gz WNFCYEWMKDJXQW-UHFFFAOYSA-N 1 0 213.231 0.957 10 0 BCAERO C[C@@H]1CC[C@H](C[NH3+])CN1c1ncnc2nc[nH]c21 ZINC000053704081 132363088 /nfs/dbraw/zinc/36/30/88/132363088.db2.gz UHNJTNYGDJOFSJ-RKDXNWHRSA-N 1 0 246.318 0.917 10 0 BCAERO Cc1cc(N2CC[NH2+]C[C@@H]2C)n2ncnc2n1 ZINC000054374981 132364263 /nfs/dbraw/zinc/36/42/63/132364263.db2.gz UVTHHUQDDOGNCR-VIFPVBQESA-N 1 0 232.291 0.231 10 0 BCAERO Cc1ccnc(N2CCN([C@H](C)C[NH3+])CC2)c1 ZINC000058022117 132367989 /nfs/dbraw/zinc/36/79/89/132367989.db2.gz KTVPMCUYWPRWIY-GFCCVEGCSA-N 1 0 234.347 0.859 10 0 BCAERO CNC(=O)[C@@H]1CCCCN1c1ccnc(C[NH3+])c1 ZINC000061811684 132387212 /nfs/dbraw/zinc/38/72/12/132387212.db2.gz KRSOAZOWSLLWOO-LBPRGKRZSA-N 1 0 248.330 0.645 10 0 BCAERO [NH3+]C[C@@H]1CCCN(c2nccn(C3CC3)c2=O)C1 ZINC000061768034 132387221 /nfs/dbraw/zinc/38/72/21/132387221.db2.gz DSPIJKCOTHBMTF-JTQLQIEISA-N 1 0 248.330 0.753 10 0 BCAERO [NH3+][C@H]1CCCN(c2nccn(C3CC3)c2=O)C1 ZINC000061767861 132387323 /nfs/dbraw/zinc/38/73/23/132387323.db2.gz KMJBBEHBNUFGSB-VIFPVBQESA-N 1 0 234.303 0.506 10 0 BCAERO O=C([C@H]1C[NH2+]CCN1)N1CCCc2ccccc21 ZINC000062812491 132388843 /nfs/dbraw/zinc/38/88/43/132388843.db2.gz CUZFATVDJQPSFF-GFCCVEGCSA-N 1 0 245.326 0.527 10 0 BCAERO CN1C[C@@H](C2=[NH+]CCN2)Oc2ccccc21 ZINC000003941500 132389568 /nfs/dbraw/zinc/38/95/68/132389568.db2.gz XUDJUNXWEZQPME-NSHDSACASA-N 1 0 217.272 0.886 10 0 BCAERO C[NH2+]C[C@@H]1CCCCN1c1ccc(C(N)=O)cn1 ZINC000063169573 132389591 /nfs/dbraw/zinc/38/95/91/132389591.db2.gz CBLZWPZMBQKJMO-NSHDSACASA-N 1 0 248.330 0.759 10 0 BCAERO Nc1cnc(N2CC[NH2+]CC2)c(Cl)c1 ZINC000077017948 132409637 /nfs/dbraw/zinc/40/96/37/132409637.db2.gz VBVAUEXDEBJWPG-UHFFFAOYSA-N 1 0 212.684 0.727 10 0 BCAERO C[C@@H]1CN(c2ncnc3nc[nH]c32)[C@@H](C)C[NH2+]1 ZINC000003716191 132452202 /nfs/dbraw/zinc/45/22/02/132452202.db2.gz VMWCESZLNHVQLZ-SFYZADRCSA-N 1 0 232.291 0.540 10 0 BCAERO COCCOCCC(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000157998301 133495176 /nfs/dbraw/zinc/49/51/76/133495176.db2.gz VBTMKWUIRCFVCC-QWRGUYRKSA-N 1 0 244.335 0.283 10 0 BCAERO COC[C@@H]([NH3+])C(=O)NC[C@@]1(C)CCCS1 ZINC000088005104 133544553 /nfs/dbraw/zinc/54/45/53/133544553.db2.gz DTIZVMIHEXKWNI-PSASIEDQSA-N 1 0 232.349 0.362 10 0 BCAERO COc1c(CN(C)C2C[NH2+]C2)c(C)nn1C ZINC000166661394 133957260 /nfs/dbraw/zinc/95/72/60/133957260.db2.gz HERKPYQMVNMICW-UHFFFAOYSA-N 1 0 224.308 0.141 10 0 BCAERO [NH3+]CC1(C(=O)N2CCSCC2)CCOCC1 ZINC000168245638 134161125 /nfs/dbraw/zinc/16/11/25/134161125.db2.gz WMDWWYOZGBJRCL-UHFFFAOYSA-N 1 0 244.360 0.317 10 0 BCAERO C[C@H](NC(=O)[C@@H]1CC[C@H]([NH3+])C1)[C@H]1CCCO1 ZINC000085010302 134221060 /nfs/dbraw/zinc/22/10/60/134221060.db2.gz MBHDNUHUHYFXOV-ZRUFSTJUSA-N 1 0 226.320 0.798 10 0 BCAERO [NH3+][C@H]1CC[C@H](C(=O)NCC2CCOCC2)C1 ZINC000085013270 134221304 /nfs/dbraw/zinc/22/13/04/134221304.db2.gz KCGPUHZRWMVBNL-QWRGUYRKSA-N 1 0 226.320 0.657 10 0 BCAERO [NH3+]C[C@H]1CCCN1C(=O)Cc1ccncc1 ZINC000168859347 134247330 /nfs/dbraw/zinc/24/73/30/134247330.db2.gz SVRMLLLNMWZJMJ-LLVKDONJSA-N 1 0 219.288 0.574 10 0 BCAERO CCNC(=O)CCN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171639299 134257700 /nfs/dbraw/zinc/25/77/00/134257700.db2.gz OPAXROQESXVBHO-LLVKDONJSA-N 1 0 225.336 0.293 10 0 BCAERO O=C(NC1C[NH2+]C1)c1ccc2c(c1)COC2 ZINC000085255571 134261636 /nfs/dbraw/zinc/26/16/36/134261636.db2.gz MKOWVERZEOLWKV-UHFFFAOYSA-N 1 0 218.256 0.418 10 0 BCAERO COC[C@H](C)N1CCO[C@H](C[NH+](C)C)C1 ZINC000173701752 134276559 /nfs/dbraw/zinc/27/65/59/134276559.db2.gz SJWAAYLRSPAPHN-WDEREUQCSA-N 1 0 216.325 0.284 10 0 BCAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CCCO ZINC000175056688 134284536 /nfs/dbraw/zinc/28/45/36/134284536.db2.gz FNYYGLCAASBDGJ-VXGBXAGGSA-N 1 0 212.337 0.927 10 0 BCAERO CCN(C)C(=O)CNC(=O)[C@]1(C)CCCC[NH2+]1 ZINC000219858708 134292363 /nfs/dbraw/zinc/29/23/63/134292363.db2.gz NINOBKAYOHLYIG-LBPRGKRZSA-N 1 0 241.335 0.113 10 0 BCAERO CNC(=O)[C@@H]1CCCC[N@@H+]1C[C@@H](C)C(=O)OC ZINC000220102047 134301199 /nfs/dbraw/zinc/30/11/99/134301199.db2.gz XYFVRTGKDQSTDC-ZJUUUORDSA-N 1 0 242.319 0.396 10 0 BCAERO COC[C@H](C)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000178945862 134313514 /nfs/dbraw/zinc/31/35/14/134313514.db2.gz NQELZQXSZHQJHD-UWVGGRQHSA-N 1 0 214.309 0.385 10 0 BCAERO CNS(=O)(=O)CC[NH2+]CC1CCC(C)CC1 ZINC000220999549 134315061 /nfs/dbraw/zinc/31/50/61/134315061.db2.gz YPYUUXJGGVZVJE-UHFFFAOYSA-N 1 0 248.392 0.952 10 0 BCAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C[C@@H](O)COC ZINC000180848124 134331776 /nfs/dbraw/zinc/33/17/76/134331776.db2.gz CNSYELHAMINIEX-JHJVBQTASA-N 1 0 242.363 0.552 10 0 BCAERO CO[C@H](C)CCC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000183397918 134350903 /nfs/dbraw/zinc/35/09/03/134350903.db2.gz VFBXVCQGXASAEQ-MNOVXSKESA-N 1 0 228.336 0.964 10 0 BCAERO Cn1ccc(CC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000183431613 134351407 /nfs/dbraw/zinc/35/14/07/134351407.db2.gz SLNSLUBTLCIVLC-GFCCVEGCSA-N 1 0 248.330 0.269 10 0 BCAERO O=C(NC1C[NH2+]C1)c1cnn2ccccc12 ZINC000226248624 134361828 /nfs/dbraw/zinc/36/18/28/134361828.db2.gz ONZNCBZQCPCSCB-UHFFFAOYSA-N 1 0 216.244 0.036 10 0 BCAERO O[C@@H]1CC[C@@H]2C[N@@H+]([C@@H]3CCCC[C@H]3O)C[C@@H]12 ZINC000226252599 134361911 /nfs/dbraw/zinc/36/19/11/134361911.db2.gz PJRHDKCLTDEGSR-SYLRKERUSA-N 1 0 225.332 0.993 10 0 BCAERO OC[C@@H]1CCC[N@@H+]([C@H]2CCCC[C@@H]2O)C1 ZINC000226240825 134362023 /nfs/dbraw/zinc/36/20/23/134362023.db2.gz MHBUEMPZYJVOJN-WOPDTQHZSA-N 1 0 213.321 0.994 10 0 BCAERO Cc1c(CNC(=O)[C@H]2CC[C@H]([NH3+])C2)cnn1C ZINC000226413696 134365549 /nfs/dbraw/zinc/36/55/49/134365549.db2.gz HWTULIQBYXNOMQ-ONGXEEELSA-N 1 0 236.319 0.472 10 0 BCAERO COC(=O)CCN1C[C@@H](C)[C@H]([NH+](C)C)C1 ZINC000227228014 134376389 /nfs/dbraw/zinc/37/63/89/134376389.db2.gz KYWKNIFNTZHUFR-NXEZZACHSA-N 1 0 214.309 0.431 10 0 BCAERO C[C@H](C(=O)NC1CC1)[N@@H+]1CC[C@@H](CCO)C1 ZINC000227572193 134383053 /nfs/dbraw/zinc/38/30/53/134383053.db2.gz SZSGFKOZJWVXSC-ZJUUUORDSA-N 1 0 226.320 0.358 10 0 BCAERO C[C@H](NC(=O)[C@H]1CCC[NH2+]C1)c1cn[nH]c1 ZINC000229704948 134464636 /nfs/dbraw/zinc/46/46/36/134464636.db2.gz GRNBGYHLCVRNEO-IUCAKERBSA-N 1 0 222.292 0.587 10 0 BCAERO CC[C@@H]([NH3+])CNC(=O)Cc1ccccn1 ZINC000082578640 522641048 /nfs/dbraw/zinc/64/10/48/522641048.db2.gz ZXYGMYOBKNYXCM-SECBINFHSA-N 1 0 207.277 0.478 10 0 BCAERO Cc1cc(C)n(CC(=O)N2C[C@H]([NH3+])[C@@H](C)C2)n1 ZINC000235628874 134596187 /nfs/dbraw/zinc/59/61/87/134596187.db2.gz MBQSMUNBQVAHPJ-KWQFWETISA-N 1 0 236.319 0.306 10 0 BCAERO C[C@H]1CN(C(=O)CCc2ccccn2)C[C@H]1[NH3+] ZINC000235656836 134596913 /nfs/dbraw/zinc/59/69/13/134596913.db2.gz QRFWHWOLHQKDBE-CMPLNLGQSA-N 1 0 233.315 0.820 10 0 BCAERO C[C@@H]1CN(C(=O)[C@H]2CC[NH2+]C2)CCS1 ZINC000155700558 134697079 /nfs/dbraw/zinc/69/70/79/134697079.db2.gz PWMYJNBYPNEZOJ-BDAKNGLRSA-N 1 0 214.334 0.560 10 0 BCAERO C[C@@H]1CC[C@@H](C(=O)NC[C@@H]2CC[N@H+](C)C2)O1 ZINC000134117372 134702972 /nfs/dbraw/zinc/70/29/72/134702972.db2.gz UEMJXMSHFWKESI-VWYCJHECSA-N 1 0 226.320 0.622 10 0 BCAERO CSC[C@H](C)NC(=O)[C@@H]1CC[NH2+]C1 ZINC000158443305 134732271 /nfs/dbraw/zinc/73/22/71/134732271.db2.gz FXUNNCUBSMLTHC-JGVFFNPUSA-N 1 0 202.323 0.464 10 0 BCAERO Cc1nnc(NC[C@@H]2CCC[NH2+]C2)nc1C ZINC000158971225 134757502 /nfs/dbraw/zinc/75/75/02/134757502.db2.gz HYECSJDMIJYEEH-SNVBAGLBSA-N 1 0 221.308 0.900 10 0 BCAERO C[C@H]1CN(C(=O)C2CCSCC2)C[C@H]1[NH3+] ZINC000335589432 134850788 /nfs/dbraw/zinc/85/07/88/134850788.db2.gz CFFWAPLLASJUEH-WCBMZHEXSA-N 1 0 228.361 0.935 10 0 BCAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1CCCO ZINC000245416880 134854336 /nfs/dbraw/zinc/85/43/36/134854336.db2.gz FNYYGLCAASBDGJ-RYUDHWBXSA-N 1 0 212.337 0.927 10 0 BCAERO C[NH+](C)[C@H]1CCN(c2cc(Cl)nc(N)n2)C1 ZINC000082409918 134966922 /nfs/dbraw/zinc/96/69/22/134966922.db2.gz VSWOYHQUAOCAQF-ZETCQYMHSA-N 1 0 241.726 0.853 10 0 BCAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)COC ZINC000246977113 134966965 /nfs/dbraw/zinc/96/69/65/134966965.db2.gz NZKGOTNGGUSMKM-QWRGUYRKSA-N 1 0 226.320 0.718 10 0 BCAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1CCC1OCCO1 ZINC000248599804 135015792 /nfs/dbraw/zinc/01/57/92/135015792.db2.gz BWYPVPFWNJUZIV-RYUDHWBXSA-N 1 0 240.347 0.918 10 0 BCAERO CCCCOC[C@@H](O)C[N@H+](C)CC[C@H](C)O ZINC000248655560 135018319 /nfs/dbraw/zinc/01/83/19/135018319.db2.gz QLTDHQNORLEWIA-RYUDHWBXSA-N 1 0 233.352 0.867 10 0 BCAERO CSC[C@H](O)CN1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000249128933 135035332 /nfs/dbraw/zinc/03/53/32/135035332.db2.gz DDJKYBSWLMXBFZ-SDDRHHMPSA-N 1 0 244.404 0.879 10 0 BCAERO CC(C)OC[C@H](O)C[NH2+][C@H](C)[C@H]1CCCO1 ZINC000249688607 135043426 /nfs/dbraw/zinc/04/34/26/135043426.db2.gz UYPZZEDKLOIGMM-IJLUTSLNSA-N 1 0 231.336 0.929 10 0 BCAERO C[C@@H]1C[C@@H]1C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000249837437 135046703 /nfs/dbraw/zinc/04/67/03/135046703.db2.gz SVJMHBPMPFWHCZ-VWYCJHECSA-N 1 0 208.305 0.949 10 0 BCAERO C[C@@H](O)CCCN1CC[N@@H+]2CCC[C@H]2C1 ZINC000251283407 135068072 /nfs/dbraw/zinc/06/80/72/135068072.db2.gz ZUQQMZFUYCDOOO-NEPJUHHUSA-N 1 0 212.337 0.927 10 0 BCAERO C[C@H]1CCCN(c2ccnc(C(N)=O)c2)[C@H]1C[NH3+] ZINC000252103894 135083956 /nfs/dbraw/zinc/08/39/56/135083956.db2.gz GSCLOZPVRDWNFU-CABZTGNLSA-N 1 0 248.330 0.744 10 0 BCAERO Cc1c(C[NH2+]CCn2cccn2)cnn1C ZINC000086552002 135089878 /nfs/dbraw/zinc/08/98/78/135089878.db2.gz BFDBQFXLWBJYMJ-UHFFFAOYSA-N 1 0 219.292 0.715 10 0 BCAERO C[NH2+]C[C@H](C)C(=O)NC[C@@H]1CCC[C@H]1O ZINC000252646764 135093020 /nfs/dbraw/zinc/09/30/20/135093020.db2.gz SJIDSQPVUCJTRA-LPEHRKFASA-N 1 0 214.309 0.119 10 0 BCAERO COCC(=O)N1C[C@@H]2CCCC[N@@H+]2C[C@H]1C ZINC000252661685 135093975 /nfs/dbraw/zinc/09/39/75/135093975.db2.gz NZLSKZYCNKRPLU-MNOVXSKESA-N 1 0 226.320 0.718 10 0 BCAERO COC(=O)CCN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000086829558 135097236 /nfs/dbraw/zinc/09/72/36/135097236.db2.gz DPLGICMIAABTGA-LLVKDONJSA-N 1 0 226.320 0.720 10 0 BCAERO CCCCOCCN1CCO[C@H](CO)C1 ZINC000086841551 135098565 /nfs/dbraw/zinc/09/85/65/135098565.db2.gz UOABLZFSTQSDCO-NSHDSACASA-N 1 0 217.309 0.496 10 0 BCAERO C[C@@H](O)CC[N@@H+]1CCN2CCCC[C@@H]2C1 ZINC000086930242 135103084 /nfs/dbraw/zinc/10/30/84/135103084.db2.gz RAVYWJVWYKSNSK-VXGBXAGGSA-N 1 0 212.337 0.927 10 0 BCAERO CC(C)CNC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000087045272 135104914 /nfs/dbraw/zinc/10/49/14/135104914.db2.gz WBMIIOJDZHBNDT-BDAKNGLRSA-N 1 0 200.282 0.265 10 0 BCAERO CC(C)OC[C@H](O)C[NH2+][C@H]1CCO[C@H]1C ZINC000252740425 135105485 /nfs/dbraw/zinc/10/54/85/135105485.db2.gz HAEHJOHPHOJRSE-AXFHLTTASA-N 1 0 217.309 0.539 10 0 BCAERO C[C@@H]1OCC[C@@H]1NC(=O)[C@H]1CCC[C@H]1[NH3+] ZINC000252754505 135107609 /nfs/dbraw/zinc/10/76/09/135107609.db2.gz ZEWCCFSGNQFTSJ-QEYWKRMJSA-N 1 0 212.293 0.407 10 0 BCAERO C1CC1[NH2+][C@H]1CCC[C@H]1[C@H]1COCCN1 ZINC000261556526 135109010 /nfs/dbraw/zinc/10/90/10/135109010.db2.gz WADYHBJIOSGKEJ-GRYCIOLGSA-N 1 0 210.321 0.896 10 0 BCAERO CC(C)(C)[C@H](O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000261557034 135109788 /nfs/dbraw/zinc/10/97/88/135109788.db2.gz WSAFNIDSDLJQSE-RKDXNWHRSA-N 1 0 214.309 0.262 10 0 BCAERO COCCOCC(=O)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261564632 135109950 /nfs/dbraw/zinc/10/99/50/135109950.db2.gz XTYWTFNYTWZIIV-JTQLQIEISA-N 1 0 244.335 0.235 10 0 BCAERO CSC[C@@H](C)NC(=O)[C@H]([NH3+])C1CCOCC1 ZINC000261758003 135110783 /nfs/dbraw/zinc/11/07/83/135110783.db2.gz LOGKOKIDYSNBMH-PSASIEDQSA-N 1 0 246.376 0.608 10 0 BCAERO CC1(CNC(=O)[C@H]2CCC[C@H]2[NH3+])COC1 ZINC000087197989 135112295 /nfs/dbraw/zinc/11/22/95/135112295.db2.gz ZYEULNKGEPYMLD-DTWKUNHWSA-N 1 0 212.293 0.267 10 0 BCAERO O=C(Cc1cccc(F)c1F)NC1C[NH2+]C1 ZINC000087196491 135112396 /nfs/dbraw/zinc/11/23/96/135112396.db2.gz JEKSPDIZUOLFQV-UHFFFAOYSA-N 1 0 226.226 0.595 10 0 BCAERO C[C@]1(CNC(=O)[C@H]2CC[C@H]([NH3+])C2)CCCO1 ZINC000087253783 135114150 /nfs/dbraw/zinc/11/41/50/135114150.db2.gz ZMVQXNOZOPWCRG-JBLDHEPKSA-N 1 0 226.320 0.799 10 0 BCAERO COC(=O)[C@H](C)C[NH2+][C@H](C)[C@H]1CCOC1 ZINC000253064480 135120566 /nfs/dbraw/zinc/12/05/66/135120566.db2.gz HMZURMDPNTUQMG-BBBLOLIVSA-N 1 0 215.293 0.810 10 0 BCAERO C[NH2+][C@]1(C(=O)[O-])C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000253476062 135126924 /nfs/dbraw/zinc/12/69/24/135126924.db2.gz SDDAXJMPDGGRKY-DIYOJNKTSA-N 1 0 200.282 0.532 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)N(C)CCOCC1CC1 ZINC000087399609 135129577 /nfs/dbraw/zinc/12/95/77/135129577.db2.gz MDLDUJSABCIWBI-LLVKDONJSA-N 1 0 228.336 0.999 10 0 BCAERO O=C(NCC1CCSCC1)NC1C[NH2+]C1 ZINC000258709294 135133547 /nfs/dbraw/zinc/13/35/47/135133547.db2.gz UXSOZUIWYKRZRH-UHFFFAOYSA-N 1 0 229.349 0.401 10 0 BCAERO COCCCC(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000087420352 135137028 /nfs/dbraw/zinc/13/70/28/135137028.db2.gz HDDNBISFIOSNRI-NXEZZACHSA-N 1 0 214.309 0.657 10 0 BCAERO C[C@@H]([NH3+])CCNC(=O)C[C@H]1CCCCO1 ZINC000087419945 135137030 /nfs/dbraw/zinc/13/70/30/135137030.db2.gz AVIDPXFACCFAHS-NXEZZACHSA-N 1 0 214.309 0.799 10 0 BCAERO [NH3+][C@@H](C(=O)N1CCCC1)C1CCOCC1 ZINC000259154998 135137600 /nfs/dbraw/zinc/13/76/00/135137600.db2.gz VAHGBHAEACYBII-SNVBAGLBSA-N 1 0 212.293 0.363 10 0 BCAERO COC[C@H](C)CC(=O)N(C)C1C[NH2+]C1 ZINC000087437567 135140750 /nfs/dbraw/zinc/14/07/50/135140750.db2.gz DLBVRSWDKHRCKZ-MRVPVSSYSA-N 1 0 200.282 0.089 10 0 BCAERO C[C@H]1CN(C[C@H]2CCC[NH2+]C2)CC(=O)N1C ZINC000257772249 135141665 /nfs/dbraw/zinc/14/16/65/135141665.db2.gz DHENZZMZMSLJCS-QWRGUYRKSA-N 1 0 225.336 0.149 10 0 BCAERO Cc1ccnc(N2CC[C@@]3(CC[NH2+]C3)C2)n1 ZINC000257747393 135141967 /nfs/dbraw/zinc/14/19/67/135141967.db2.gz UDMMOPHCEJEBHR-GFCCVEGCSA-N 1 0 218.304 0.975 10 0 BCAERO CC1(C)CN(S(C)(=O)=O)CC[C@@H]1[NH3+] ZINC000259321954 135142328 /nfs/dbraw/zinc/14/23/28/135142328.db2.gz XJBVQTLZTVTTHH-ZETCQYMHSA-N 1 0 206.311 0.005 10 0 BCAERO COC[C@H]([NH3+])C(=O)N1[C@@H](C)CC[C@@H]1C ZINC000261530275 135157505 /nfs/dbraw/zinc/15/75/05/135157505.db2.gz CECGHIQFMLBRLT-CIUDSAMLSA-N 1 0 200.282 0.360 10 0 BCAERO COC[C@H](C)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000261531645 135160654 /nfs/dbraw/zinc/16/06/54/135160654.db2.gz HJQQXCVCKIGJMW-DTWKUNHWSA-N 1 0 200.282 0.076 10 0 BCAERO O=C(C[C@H]1CCCCO1)NC[C@@H]1CC[NH2+]C1 ZINC000087654932 135162091 /nfs/dbraw/zinc/16/20/91/135162091.db2.gz JKIROJYJELBBPG-GHMZBOCLSA-N 1 0 226.320 0.671 10 0 BCAERO CC(C)[C@H](C)NC(=O)CN1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000261532765 135163609 /nfs/dbraw/zinc/16/36/09/135163609.db2.gz DXMDWXCMEKVSEO-VWYCJHECSA-N 1 0 227.352 0.426 10 0 BCAERO CC(C)c1nc(CN2C[C@H](C)[C@H]([NH3+])C2)no1 ZINC000261532997 135164408 /nfs/dbraw/zinc/16/44/08/135164408.db2.gz FPYBRNAZHFTQJK-DTWKUNHWSA-N 1 0 224.308 0.972 10 0 BCAERO C[C@@H]1CN(C(=O)C[C@@H]2CCCCO2)C[C@H]1[NH3+] ZINC000261535004 135168996 /nfs/dbraw/zinc/16/89/96/135168996.db2.gz VLUSOVIIOQBATR-OUAUKWLOSA-N 1 0 226.320 0.751 10 0 BCAERO C[C@@H]([NH3+])CN1CCC[C@@H]1c1cnn(C)c1 ZINC000261535766 135170482 /nfs/dbraw/zinc/17/04/82/135170482.db2.gz PCTBBXNRDQHOTE-MWLCHTKSSA-N 1 0 208.309 0.904 10 0 BCAERO C[C@H](O)C1CCN(CC(C)(C)[NH3+])CC1 ZINC000261536442 135172043 /nfs/dbraw/zinc/17/20/43/135172043.db2.gz RSFFCOBXTMRHCH-VIFPVBQESA-N 1 0 200.326 0.817 10 0 BCAERO Cc1cc(C)nc(N2C[C@@H](C)[C@H]([NH3+])C2)n1 ZINC000261536755 135172102 /nfs/dbraw/zinc/17/21/02/135172102.db2.gz SUXOHFVGCOKNRI-GMSGAONNSA-N 1 0 206.293 0.877 10 0 BCAERO Cc1cc(C)nc(N2C[C@H](C)[C@H]([NH3+])C2)n1 ZINC000261536756 135172249 /nfs/dbraw/zinc/17/22/49/135172249.db2.gz SUXOHFVGCOKNRI-OIBJUYFYSA-N 1 0 206.293 0.877 10 0 BCAERO C[C@]1(CNC(=O)C2C[NH2+]C2)CCCS1 ZINC000087797012 135172519 /nfs/dbraw/zinc/17/25/19/135172519.db2.gz BZEAMOBZRIXPJS-SNVBAGLBSA-N 1 0 214.334 0.608 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N(C(C)C)C1CC1 ZINC000261537455 135174133 /nfs/dbraw/zinc/17/41/33/135174133.db2.gz VPTSWHSYUWZVMD-SECBINFHSA-N 1 0 200.282 0.360 10 0 BCAERO C[C@@H]1CN(S(=O)(=O)CCC2CC2)C[C@@H]1[NH3+] ZINC000261537861 135174259 /nfs/dbraw/zinc/17/42/59/135174259.db2.gz WMKDSMVQXHPRQI-SCZZXKLOSA-N 1 0 232.349 0.395 10 0 BCAERO C[C@@H]1[C@@H]([NH3+])CCN1S(=O)(=O)CC(C)(C)C ZINC000261538268 135175474 /nfs/dbraw/zinc/17/54/74/135175474.db2.gz XPJJUCDCCYCEJD-BDAKNGLRSA-N 1 0 234.365 0.784 10 0 BCAERO C[C@@H]1CN(Cc2cncc(F)c2)C[C@H]1[NH3+] ZINC000261538448 135176120 /nfs/dbraw/zinc/17/61/20/135176120.db2.gz YDRKLXVSYDYXBF-LDYMZIIASA-N 1 0 209.268 1.000 10 0 BCAERO Cc1nn(C)cc1CN1C[C@H](C)[C@H]([NH3+])C1 ZINC000261538385 135176180 /nfs/dbraw/zinc/17/61/80/135176180.db2.gz XXNWTLANMIDMHO-GZMMTYOYSA-N 1 0 208.309 0.508 10 0 BCAERO COCC(C)(C)CN1C[C@H](C)[C@H]([NH3+])C1 ZINC000261538496 135176460 /nfs/dbraw/zinc/17/64/60/135176460.db2.gz YHFLVAQUMTWXSK-VHSXEESVSA-N 1 0 200.326 0.938 10 0 BCAERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1ccsc1 ZINC000261539327 135177711 /nfs/dbraw/zinc/17/77/11/135177711.db2.gz CDCVKIFECVROKH-BDAKNGLRSA-N 1 0 226.301 0.058 10 0 BCAERO CC[C@@H]1CC[C@@H](C(=O)NC[C@H](C)[NH2+]C)O1 ZINC000261539227 135177958 /nfs/dbraw/zinc/17/79/58/135177958.db2.gz BWIJGDUSMLIXOZ-AEJSXWLSSA-N 1 0 214.309 0.668 10 0 BCAERO COc1cc(OC)nc(N2C[C@H](C)[C@H]([NH3+])C2)n1 ZINC000261540317 135179249 /nfs/dbraw/zinc/17/92/49/135179249.db2.gz FYBDACVPATZGNM-JGVFFNPUSA-N 1 0 238.291 0.277 10 0 BCAERO CN(C(=O)c1ncncc1Cl)C1C[NH2+]C1 ZINC000261541139 135181305 /nfs/dbraw/zinc/18/13/05/135181305.db2.gz FPSMMWRZJCMVHV-UHFFFAOYSA-N 1 0 226.667 0.174 10 0 BCAERO C[NH2+]CCN(C)C(=O)c1[nH]c(C)cc1C ZINC000261541146 135181338 /nfs/dbraw/zinc/18/13/38/135181338.db2.gz FQILJLWHQGWKRU-UHFFFAOYSA-N 1 0 209.293 0.923 10 0 BCAERO COC(=O)[C@@H](C)N(C)C[C@@]1(C)CC[NH2+]C1 ZINC000261542068 135182826 /nfs/dbraw/zinc/18/28/26/135182826.db2.gz GLXBNXJRZPXXGD-KOLCDFICSA-N 1 0 214.309 0.479 10 0 BCAERO CO[C@@H]1CCN(C(=O)[C@@H]2CC2(C)C)[C@H](C[NH3+])C1 ZINC000261542836 135183024 /nfs/dbraw/zinc/18/30/24/135183024.db2.gz QPGOMKDNYQLOFC-AXFHLTTASA-N 1 0 240.347 0.997 10 0 BCAERO Cc1cc(C(=O)N[C@@H]2CCC[C@H]2C[NH3+])nn1C ZINC000261542880 135183076 /nfs/dbraw/zinc/18/30/76/135183076.db2.gz RFDDOYMTMGMAIQ-VHSXEESVSA-N 1 0 236.319 0.586 10 0 BCAERO Cc1cc(C(=O)N[C@@H]2CCC[NH2+][C@@H]2C)nn1C ZINC000261542822 135183418 /nfs/dbraw/zinc/18/34/18/135183418.db2.gz QJKURWAJEPHCLA-NXEZZACHSA-N 1 0 236.319 0.599 10 0 BCAERO C[C@@H]1CN(CC(=O)NC2CCCCC2)C[C@H]1[NH3+] ZINC000261542510 135183474 /nfs/dbraw/zinc/18/34/74/135183474.db2.gz OYVUNRLLFAEQAM-ZYHUDNBSSA-N 1 0 239.363 0.714 10 0 BCAERO CCC(C)(C)NC(=O)[C@H](C)N1C[C@H]([NH3+])[C@@H](C)C1 ZINC000261543475 135184256 /nfs/dbraw/zinc/18/42/56/135184256.db2.gz SWYJADAOVUUOKU-DCAQKATOSA-N 1 0 241.379 0.959 10 0 BCAERO CC[C@@H]1CN(C(=O)[C@@H]([NH3+])C(C)C)C[C@H]1O ZINC000261544544 135186034 /nfs/dbraw/zinc/18/60/34/135186034.db2.gz IZVZNFUXHDHWGU-BBBLOLIVSA-N 1 0 214.309 0.199 10 0 BCAERO CCC(CC)CS(=O)(=O)NC[C@H](C)[NH2+]C ZINC000261548977 135187320 /nfs/dbraw/zinc/18/73/20/135187320.db2.gz ODJQQQVYHNSHBX-VIFPVBQESA-N 1 0 236.381 0.950 10 0 BCAERO O=C(N[C@@H]1CC[NH2+]C1)c1ncncc1Cl ZINC000261548702 135187453 /nfs/dbraw/zinc/18/74/53/135187453.db2.gz NWMQHIJUVJIKRD-ZCFIWIBFSA-N 1 0 226.667 0.222 10 0 BCAERO CC(C)c1nc([C@H]2C[NH2+]CCN2C)no1 ZINC000261548903 135187899 /nfs/dbraw/zinc/18/78/99/135187899.db2.gz OAXUHIZPTWGVOY-MRVPVSSYSA-N 1 0 210.281 0.769 10 0 BCAERO C[NH2+]CCC(=O)N[C@H]1CCCC[C@H]1OC ZINC000261550224 135188946 /nfs/dbraw/zinc/18/89/46/135188946.db2.gz PKPIWYKURQDQCI-VHSXEESVSA-N 1 0 214.309 0.670 10 0 BCAERO C[C@@H]1CN(c2nnnn2-c2ccccc2)C[C@H]1[NH3+] ZINC000261550098 135189003 /nfs/dbraw/zinc/18/90/03/135189003.db2.gz LBQCZBWTGXQOHM-MWLCHTKSSA-N 1 0 244.302 0.446 10 0 BCAERO CC[C@H](C)NC(=O)CN1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261551223 135190036 /nfs/dbraw/zinc/19/00/36/135190036.db2.gz LUEPWKHTMQUCPR-FIQHERPVSA-N 1 0 239.363 0.570 10 0 BCAERO OC[C@]1(F)CCN(C[C@H]2CCC[NH2+]C2)C1 ZINC000261551118 135190471 /nfs/dbraw/zinc/19/04/71/135190471.db2.gz QCWMXJSFCDXVQP-QWRGUYRKSA-N 1 0 216.300 0.392 10 0 BCAERO CC(C)CNC(=O)CN1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261552975 135192049 /nfs/dbraw/zinc/19/20/49/135192049.db2.gz NNNWXYQQZAKUCW-LLVKDONJSA-N 1 0 241.379 0.818 10 0 BCAERO C[C@H]1COC[C@H](C)N1C(=O)[C@H]1CC[NH2+]C1 ZINC000261553501 135193161 /nfs/dbraw/zinc/19/31/61/135193161.db2.gz SOVMALNAOJXQIX-GUBZILKMSA-N 1 0 212.293 0.232 10 0 BCAERO CC(C)(C)[C@H]([NH3+])C(=O)NC[C@@H]1CCC[C@@H]1O ZINC000084238386 135194512 /nfs/dbraw/zinc/19/45/12/135194512.db2.gz OMXLCVOJTCUMIA-LPEHRKFASA-N 1 0 228.336 0.637 10 0 BCAERO O=C(NC[C@H]1CCC[C@@H]1O)C1CC[NH2+]CC1 ZINC000084238836 135194553 /nfs/dbraw/zinc/19/45/53/135194553.db2.gz UQYSLEZWEIRWNZ-MNOVXSKESA-N 1 0 226.320 0.263 10 0 BCAERO O=C(NCCC1CCOCC1)[C@H]1CC[NH2+]1 ZINC000261554735 135194708 /nfs/dbraw/zinc/19/47/08/135194708.db2.gz UJTRNWUQCNQUSP-SNVBAGLBSA-N 1 0 212.293 0.281 10 0 BCAERO Cc1csc(CNC[C@H]2C[NH2+]C[C@@H]2O)n1 ZINC000261557327 135198209 /nfs/dbraw/zinc/19/82/09/135198209.db2.gz XFBBZGCSOKDYRA-BDAKNGLRSA-N 1 0 227.333 0.121 10 0 BCAERO C[C@@H](C[C@@H]1CCCO1)NC(=O)C1C[NH2+]C1 ZINC000261558932 135199282 /nfs/dbraw/zinc/19/92/82/135199282.db2.gz YQOTZNLLJGJRKT-WPRPVWTQSA-N 1 0 212.293 0.280 10 0 BCAERO C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2C[NH2+]C[C@H]2O)C1 ZINC000261558616 135199352 /nfs/dbraw/zinc/19/93/52/135199352.db2.gz YNIAPKKHKHUJKX-NOOOWODRSA-N 1 0 212.337 0.735 10 0 BCAERO C[C@H]([NH3+])CC(=O)N1CCC[C@H]1c1cnn(C)c1 ZINC000261560451 135201241 /nfs/dbraw/zinc/20/12/41/135201241.db2.gz UPVRKDBBOYXQJE-ONGXEEELSA-N 1 0 236.319 0.821 10 0 BCAERO CO[C@@H]1[C@H](C)[C@@H](NC(=O)[C@H](C)[NH3+])C1(C)C ZINC000261561501 135203046 /nfs/dbraw/zinc/20/30/46/135203046.db2.gz AQDAAXVGQYGTDT-BZNPZCIMSA-N 1 0 214.309 0.509 10 0 BCAERO Cc1ccnc(N2CC[C@H]3C[NH2+]C[C@@H]3C2)n1 ZINC000261562138 135203711 /nfs/dbraw/zinc/20/37/11/135203711.db2.gz BCGHKWCHCZKECP-WDEREUQCSA-N 1 0 218.304 0.831 10 0 BCAERO CC1(C)CN(C(=O)c2cc[nH]n2)CC[C@H]1[NH3+] ZINC000261562676 135204602 /nfs/dbraw/zinc/20/46/02/135204602.db2.gz BMUKBWITLFWLQS-SECBINFHSA-N 1 0 222.292 0.609 10 0 BCAERO Cn1ncc(-c2nc(C3([NH3+])CCCCC3)no2)n1 ZINC000261562550 135204756 /nfs/dbraw/zinc/20/47/56/135204756.db2.gz GMSHMUUZHKSCFM-UHFFFAOYSA-N 1 0 248.290 0.983 10 0 BCAERO Cc1nn(C)cc1C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261563442 135205316 /nfs/dbraw/zinc/20/53/16/135205316.db2.gz GWJVESPKJBGHSC-MNOVXSKESA-N 1 0 248.330 0.410 10 0 BCAERO Cn1cncc1CN1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261563848 135206271 /nfs/dbraw/zinc/20/62/71/135206271.db2.gz CCDUBCWKFXJKBN-MNOVXSKESA-N 1 0 220.320 0.461 10 0 BCAERO CN1CCN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000084308544 135207097 /nfs/dbraw/zinc/20/70/97/135207097.db2.gz JOABIALIKKYGQS-GHMZBOCLSA-N 1 0 225.336 0.135 10 0 BCAERO Cc1cc(C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)n(C)n1 ZINC000261565988 135207586 /nfs/dbraw/zinc/20/75/86/135207586.db2.gz HZQVMYOFVIKBRF-AXFHLTTASA-N 1 0 248.330 0.538 10 0 BCAERO COC(=O)CCNC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000084310219 135207646 /nfs/dbraw/zinc/20/76/46/135207646.db2.gz OAJXOINQVYYMTK-RKDXNWHRSA-N 1 0 228.292 0.041 10 0 BCAERO CC1(C)CN(Cc2cc[nH]n2)CC[C@H]1[NH3+] ZINC000261566037 135208176 /nfs/dbraw/zinc/20/81/76/135208176.db2.gz DGDJHSSZBJKHIS-SNVBAGLBSA-N 1 0 208.309 0.969 10 0 BCAERO COCCCC(=O)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261566908 135208426 /nfs/dbraw/zinc/20/84/26/135208426.db2.gz DSMVGWPJWYNTKQ-JTQLQIEISA-N 1 0 228.336 0.999 10 0 BCAERO CCc1nc(C)cc(N2CCO[C@H](C[NH3+])C2)n1 ZINC000261567624 135209235 /nfs/dbraw/zinc/20/92/35/135209235.db2.gz ZYRMFPZDBSLLNJ-SNVBAGLBSA-N 1 0 236.319 0.511 10 0 BCAERO COc1cc(N2CC[C@H](C)[C@@H](C[NH3+])C2)ncn1 ZINC000163935148 135210540 /nfs/dbraw/zinc/21/05/40/135210540.db2.gz DYRJKZVTJBXJBY-UWVGGRQHSA-N 1 0 236.319 0.906 10 0 BCAERO Cn1nccc1CN1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261568930 135211046 /nfs/dbraw/zinc/21/10/46/135211046.db2.gz FZPPJRLUDJPIAU-DLOVCJGASA-N 1 0 220.320 0.589 10 0 BCAERO Cc1nccnc1N1CC[C@]2(CC[NH2+]C2)C1 ZINC000261571031 135213017 /nfs/dbraw/zinc/21/30/17/135213017.db2.gz HICXZDUFSIEPTG-LBPRGKRZSA-N 1 0 218.304 0.975 10 0 BCAERO C[C@H]1SCCN(C(=O)C2C[NH2+]C2)[C@@H]1C ZINC000164135196 135213081 /nfs/dbraw/zinc/21/30/81/135213081.db2.gz GARKZDGGEPCOKK-HTQZYQBOSA-N 1 0 214.334 0.558 10 0 BCAERO O=C(NC[C@@H]1CSCCS1)C1C[NH2+]C1 ZINC000164148010 135214607 /nfs/dbraw/zinc/21/46/07/135214607.db2.gz HIFRZNUMTOTUSL-MRVPVSSYSA-N 1 0 232.374 0.171 10 0 BCAERO CN(C[C@H]1CCCO1)C(=O)C[C@H]1CC[NH2+]C1 ZINC000084382783 135216271 /nfs/dbraw/zinc/21/62/71/135216271.db2.gz NAKQHGHGMRZDQC-GHMZBOCLSA-N 1 0 226.320 0.623 10 0 BCAERO C[NH2+]C[C@H]1CCCN1c1nc(C)cc(OC)n1 ZINC000164224648 135216292 /nfs/dbraw/zinc/21/62/92/135216292.db2.gz SJFZFQAEJRRQHX-SNVBAGLBSA-N 1 0 236.319 0.982 10 0 BCAERO Cn1cc(CN2CC[C@H]([NH3+])C(C)(C)C2)cn1 ZINC000261576024 135217286 /nfs/dbraw/zinc/21/72/86/135217286.db2.gz KAZNFVAKJOAENJ-NSHDSACASA-N 1 0 222.336 0.979 10 0 BCAERO Cc1ccnc(N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)n1 ZINC000261576017 135217839 /nfs/dbraw/zinc/21/78/39/135217839.db2.gz KAXGODSAXMEJEU-GARJFASQSA-N 1 0 218.304 0.959 10 0 BCAERO COC(=O)C[C@H](C)NC(=O)[C@H]1CCC[C@@H]1[NH3+] ZINC000261578558 135219933 /nfs/dbraw/zinc/21/99/33/135219933.db2.gz LQWYLPJNZJWTPY-CIUDSAMLSA-N 1 0 228.292 0.182 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N(C)[C@@H](C)C1(C)CC1 ZINC000261580052 135220467 /nfs/dbraw/zinc/22/04/67/135220467.db2.gz MQDFSNZYAMUQQI-DTWKUNHWSA-N 1 0 214.309 0.607 10 0 BCAERO CC(C)[C@@H]1OCC[C@H]1CNC(=O)CC[NH3+] ZINC000261580088 135220903 /nfs/dbraw/zinc/22/09/03/135220903.db2.gz MQPFKQUZJSBXDN-ONGXEEELSA-N 1 0 214.309 0.513 10 0 BCAERO C[C@H]([NH3+])CN1CCC(n2cncn2)CC1 ZINC000261582520 135223206 /nfs/dbraw/zinc/22/32/06/135223206.db2.gz OKBMKBPMPBVJFU-VIFPVBQESA-N 1 0 209.297 0.262 10 0 BCAERO C[C@H](C[C@@H]1CCCO1)NC(=O)C[C@H](C)[NH3+] ZINC000261583069 135224081 /nfs/dbraw/zinc/22/40/81/135224081.db2.gz OVHDURYXGAPDJD-AEJSXWLSSA-N 1 0 214.309 0.798 10 0 BCAERO Cc1cc(C)c(C(=O)N2CC[C@H]([NH3+])C2)[nH]1 ZINC000261583008 135224115 /nfs/dbraw/zinc/22/41/15/135224115.db2.gz OTGVDRKRLOWDTQ-VIFPVBQESA-N 1 0 207.277 0.805 10 0 BCAERO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)NC3CCC3)C[C@H]12 ZINC000261583863 135225063 /nfs/dbraw/zinc/22/50/63/135225063.db2.gz PHQFXXNNKLBBCD-DVVUODLYSA-N 1 0 223.320 0.918 10 0 BCAERO Cc1ccc(C(=O)N2CC[C@@H]([NH3+])[C@H]2C)n1C ZINC000261586660 135227732 /nfs/dbraw/zinc/22/77/32/135227732.db2.gz RHEXNTUVJJOLBJ-NXEZZACHSA-N 1 0 221.304 0.895 10 0 BCAERO Cn1cc([C@@H]2CCCN2C(=O)CC[NH3+])cn1 ZINC000261586714 135227896 /nfs/dbraw/zinc/22/78/96/135227896.db2.gz RJKAXAYSDUXBCX-JTQLQIEISA-N 1 0 222.292 0.432 10 0 BCAERO Cc1ccnc(N2CC[C@@H]3[NH2+]CC[C@@H]3C2)n1 ZINC000261591148 135231782 /nfs/dbraw/zinc/23/17/82/135231782.db2.gz VCJBCOWHXCLFNK-MNOVXSKESA-N 1 0 218.304 0.973 10 0 BCAERO Cc1ccnc(N2CC[C@H]3[NH2+]CC[C@H]3C2)n1 ZINC000261591150 135231957 /nfs/dbraw/zinc/23/19/57/135231957.db2.gz VCJBCOWHXCLFNK-WDEREUQCSA-N 1 0 218.304 0.973 10 0 BCAERO [NH3+]CCN1CCC(Nc2cccnn2)CC1 ZINC000261591415 135232272 /nfs/dbraw/zinc/23/22/72/135232272.db2.gz VGSQADHQKKPLNC-UHFFFAOYSA-N 1 0 221.308 0.312 10 0 BCAERO Cc1nccnc1N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261594785 135234800 /nfs/dbraw/zinc/23/48/00/135234800.db2.gz XRQDCSMHHWFSPL-DCAQKATOSA-N 1 0 218.304 0.959 10 0 BCAERO [NH3+][C@@H]1CC[C@H]2CN(C(=O)c3ccon3)C[C@@H]12 ZINC000261595264 135234807 /nfs/dbraw/zinc/23/48/07/135234807.db2.gz YAEDVEUWLFJUPE-DJLDLDEBSA-N 1 0 221.260 0.484 10 0 BCAERO C[C@H]1CN(Cc2c(Cl)cnn2C)C[C@@H]1[NH3+] ZINC000261595213 135235307 /nfs/dbraw/zinc/23/53/07/135235307.db2.gz XXVYYJUBQDHNNB-CBAPKCEASA-N 1 0 228.727 0.853 10 0 BCAERO C[C@@H]1CCN(C(=O)[C@@H]([NH3+])C2CCOCC2)C1 ZINC000261606584 135237945 /nfs/dbraw/zinc/23/79/45/135237945.db2.gz ASYJNOFCFPELHX-KOLCDFICSA-N 1 0 226.320 0.609 10 0 BCAERO C[C@H]1CCN(C(=O)[C@H]([NH3+])C2CCOCC2)C1 ZINC000261606582 135238027 /nfs/dbraw/zinc/23/80/27/135238027.db2.gz ASYJNOFCFPELHX-GXSJLCMTSA-N 1 0 226.320 0.609 10 0 BCAERO CO[C@@H]1CCCC[C@H]1NC(=O)C1C[NH2+]C1 ZINC000261546387 135238358 /nfs/dbraw/zinc/23/83/58/135238358.db2.gz KZWCKBCOWQISSA-NXEZZACHSA-N 1 0 212.293 0.280 10 0 BCAERO CN(C[C@H]1CCOC1)C(=O)[C@@H]1CC[NH2+]C1 ZINC000261546043 135238366 /nfs/dbraw/zinc/23/83/66/135238366.db2.gz KQDUUWVCQTVGOM-NXEZZACHSA-N 1 0 212.293 0.091 10 0 BCAERO O=C(NC[C@@H]1CC[NH2+]C1)[C@@H]1C[C@H]1C1CC1 ZINC000261547772 135240751 /nfs/dbraw/zinc/24/07/51/135240751.db2.gz MSPRQADSRZAWFD-DVVUODLYSA-N 1 0 208.305 0.758 10 0 BCAERO Cn1nccc1C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261548221 135241960 /nfs/dbraw/zinc/24/19/60/135241960.db2.gz JCWFNBCRPSTQBI-AEJSXWLSSA-N 1 0 234.303 0.229 10 0 BCAERO C[C@@H]1CCN(C(=O)Cc2cc[nH]n2)[C@@H](C[NH3+])C1 ZINC000261651172 135242567 /nfs/dbraw/zinc/24/25/67/135242567.db2.gz BLLLYHLIPSLJQN-MWLCHTKSSA-N 1 0 236.319 0.538 10 0 BCAERO [NH3+][C@@H]1CCC[C@H]1CC(=O)N1CCn2ccnc2C1 ZINC000261664016 135243348 /nfs/dbraw/zinc/24/33/48/135243348.db2.gz FKROCOLTKCOYNJ-WDEREUQCSA-N 1 0 248.330 0.743 10 0 BCAERO O=C([C@H]1CCC[NH2+]1)N1CCC[C@@H](c2nc[nH]n2)C1 ZINC000261672053 135244959 /nfs/dbraw/zinc/24/49/59/135244959.db2.gz JGOYSKWQNKETIX-NXEZZACHSA-N 1 0 249.318 0.263 10 0 BCAERO O=C([C@@H]1CCC[NH2+]1)N1CCC[C@H](c2nc[nH]n2)C1 ZINC000261672054 135245077 /nfs/dbraw/zinc/24/50/77/135245077.db2.gz JGOYSKWQNKETIX-UWVGGRQHSA-N 1 0 249.318 0.263 10 0 BCAERO C[C@H](NC(=O)[C@H]([NH3+])C1CCOCC1)C1CC1 ZINC000261689702 135245800 /nfs/dbraw/zinc/24/58/00/135245800.db2.gz HKBWSXILKGFAJV-GZMMTYOYSA-N 1 0 226.320 0.655 10 0 BCAERO C[C@H]([NH3+])CC(=O)N1CCC[C@@H](n2cccn2)C1 ZINC000261697474 135247014 /nfs/dbraw/zinc/24/70/14/135247014.db2.gz CJRLXMWFQYHHNS-WDEREUQCSA-N 1 0 236.319 0.784 10 0 BCAERO CCCNC(=O)CCC(=O)NC[C@H](C)[NH2+]C ZINC000261715367 135247641 /nfs/dbraw/zinc/24/76/41/135247641.db2.gz KILQNHWCHFGBBO-VIFPVBQESA-N 1 0 229.324 0.017 10 0 BCAERO Cc1ccc([C@H](O)CNC(=O)C[C@H](C)[NH3+])cc1 ZINC000261734032 135248087 /nfs/dbraw/zinc/24/80/87/135248087.db2.gz GABRGTFTMOFNKT-CMPLNLGQSA-N 1 0 236.315 0.882 10 0 BCAERO C[C@@H]1OCC[C@H]1NC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000261748129 135249962 /nfs/dbraw/zinc/24/99/62/135249962.db2.gz IVEQJHTZBDCYEC-UKKRHICBSA-N 1 0 226.320 0.798 10 0 BCAERO CCn1c(C)nnc1CN1CCC[C@H]([NH2+]C)C1 ZINC000261760175 135250770 /nfs/dbraw/zinc/25/07/70/135250770.db2.gz MUCSKJDIVTXHSE-NSHDSACASA-N 1 0 237.351 0.790 10 0 BCAERO O=C(CC[C@H]1CCC[NH2+]1)N[C@H]1CCCC[C@@H]1O ZINC000261757390 135250954 /nfs/dbraw/zinc/25/09/54/135250954.db2.gz QSMAOMFWVIZLCM-WOPDTQHZSA-N 1 0 240.347 0.938 10 0 BCAERO CCN(CC1CC1)C(=O)[C@@H]([NH3+])C1CCOCC1 ZINC000261772091 135251545 /nfs/dbraw/zinc/25/15/45/135251545.db2.gz FSGNRGCVRXJWDT-LBPRGKRZSA-N 1 0 240.347 0.999 10 0 BCAERO CCCNC(=O)CCCC(=O)NC[C@H](C)[NH2+]C ZINC000261830326 135255952 /nfs/dbraw/zinc/25/59/52/135255952.db2.gz VJYTYOZEEKUBGA-JTQLQIEISA-N 1 0 243.351 0.407 10 0 BCAERO C[C@@H]1CCN(C(=O)[C@H]([NH3+])C2CCOCC2)[C@H]1C ZINC000261836052 135256244 /nfs/dbraw/zinc/25/62/44/135256244.db2.gz QHSXGHZOACWZCI-JFGNBEQYSA-N 1 0 240.347 0.997 10 0 BCAERO CC[C@@H](C(=O)NC[C@H](C)[NH2+]C)N1CCCC1=O ZINC000261849204 135256828 /nfs/dbraw/zinc/25/68/28/135256828.db2.gz XDJAOSDACPFEFG-UWVGGRQHSA-N 1 0 241.335 0.112 10 0 BCAERO [NH3+][C@H](C(=O)N1CCSCC1)C1CCOCC1 ZINC000261853330 135257537 /nfs/dbraw/zinc/25/75/37/135257537.db2.gz RQQBMIYGYSYYJK-JTQLQIEISA-N 1 0 244.360 0.316 10 0 BCAERO [NH3+][C@H](C(=O)NCC1CCC1)C1CCOCC1 ZINC000261854945 135257684 /nfs/dbraw/zinc/25/76/84/135257684.db2.gz RUNWMKQHGUXGQV-NSHDSACASA-N 1 0 226.320 0.657 10 0 BCAERO CN(CC1CC1)C(=O)[C@@H]([NH3+])C1CCOCC1 ZINC000261897933 135261212 /nfs/dbraw/zinc/26/12/12/135261212.db2.gz WFGUZYWXHPMKLD-NSHDSACASA-N 1 0 226.320 0.609 10 0 BCAERO C[C@@H]1CCCN1C(=O)CCN1CC[NH2+]C[C@H]1C ZINC000261907028 135261869 /nfs/dbraw/zinc/26/18/69/135261869.db2.gz XEHIACMWJXUEEH-VXGBXAGGSA-N 1 0 239.363 0.681 10 0 BCAERO CCO[C@@H]1C[C@H]1C(=O)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261969473 135268365 /nfs/dbraw/zinc/26/83/65/135268365.db2.gz LKSIZEBSQOMCNE-MXWKQRLJSA-N 1 0 240.347 0.997 10 0 BCAERO CCn1c(C)nnc1CN1CCC[C@@H](C[NH3+])C1 ZINC000262002097 135271017 /nfs/dbraw/zinc/27/10/17/135271017.db2.gz QDRBCEVWVROUOB-NSHDSACASA-N 1 0 237.351 0.777 10 0 BCAERO C[C@@H](OCc1ccccc1)C(=O)NCC1C[NH2+]C1 ZINC000262003146 135271575 /nfs/dbraw/zinc/27/15/75/135271575.db2.gz HPDYGJGDTUAYCY-LLVKDONJSA-N 1 0 248.326 0.927 10 0 BCAERO C[C@H]1CCCN1C(=O)[C@H]([NH3+])C1CCOCC1 ZINC000262013442 135272301 /nfs/dbraw/zinc/27/23/01/135272301.db2.gz OGDGRUAGJRHEFF-GXSJLCMTSA-N 1 0 226.320 0.751 10 0 BCAERO CC(C)([NH3+])CN1CCn2c(nnc2C2CC2)C1 ZINC000262029457 135273724 /nfs/dbraw/zinc/27/37/24/135273724.db2.gz XBMACOUEHIJTHY-UHFFFAOYSA-N 1 0 235.335 0.708 10 0 BCAERO COC[C@H]([NH3+])C(=O)Nc1cc2n[nH]cc2cc1C ZINC000262033676 135275112 /nfs/dbraw/zinc/27/51/12/135275112.db2.gz FGUXFYRXTAMDAG-VIFPVBQESA-N 1 0 248.286 0.784 10 0 BCAERO O=C(NCc1nccs1)[C@H]1C[C@H](F)C[NH2+]1 ZINC000262120316 135279308 /nfs/dbraw/zinc/27/93/08/135279308.db2.gz LWIAARBGJWGIPB-NKWVEPMBSA-N 1 0 229.280 0.459 10 0 BCAERO C[C@H]1CCC[C@@H]1NC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000262133895 135280439 /nfs/dbraw/zinc/28/04/39/135280439.db2.gz OIQHWHQHDMAGAF-QCLAVDOMSA-N 1 0 212.293 0.014 10 0 BCAERO CC(=O)N[C@H](C)C(=O)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000262132220 135280507 /nfs/dbraw/zinc/28/05/07/135280507.db2.gz WPTIJDYYWSJPSU-PSASIEDQSA-N 1 0 241.335 0.097 10 0 BCAERO CC(=O)N[C@H](C)C(=O)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000262132221 135280755 /nfs/dbraw/zinc/28/07/55/135280755.db2.gz WPTIJDYYWSJPSU-SCZZXKLOSA-N 1 0 241.335 0.097 10 0 BCAERO [NH3+][C@H](C(=O)NC[C@H]1CCCO1)C1CCOCC1 ZINC000262168541 135283755 /nfs/dbraw/zinc/28/37/55/135283755.db2.gz YLFDHPBHVUGDMM-MNOVXSKESA-N 1 0 242.319 0.036 10 0 BCAERO C[C@H]1CCC[C@H]1NC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000262187319 135284299 /nfs/dbraw/zinc/28/42/99/135284299.db2.gz XSOMWLGQAZEHGM-AXTSPUMRSA-N 1 0 214.284 0.991 10 0 BCAERO C[C@H]1C[C@H]1CNC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000262191867 135284989 /nfs/dbraw/zinc/28/49/89/135284989.db2.gz YUBSBUSQOPXOPK-XSPKLOCKSA-N 1 0 200.257 0.459 10 0 BCAERO O=C1[C@@H](N[C@H]2CC[NH2+]C2)CCN1c1ccccc1 ZINC000262239724 135287164 /nfs/dbraw/zinc/28/71/64/135287164.db2.gz WCGDMYQHZRWGOT-AAEUAGOBSA-N 1 0 245.326 0.743 10 0 BCAERO Cc1cc(C(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)c(C)o1 ZINC000262253857 135288228 /nfs/dbraw/zinc/28/82/28/135288228.db2.gz LSZBVCCSQCWQTM-ONGXEEELSA-N 1 0 238.287 0.207 10 0 BCAERO CCc1nc(CCNC(=O)C2C[NH2+]C2)cs1 ZINC000262256219 135288300 /nfs/dbraw/zinc/28/83/00/135288300.db2.gz QIGUSALYUFVULJ-UHFFFAOYSA-N 1 0 239.344 0.584 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N1CCc2cccc(F)c21 ZINC000262252162 135288414 /nfs/dbraw/zinc/28/84/14/135288414.db2.gz ISXJVAZKEKUYNW-SNVBAGLBSA-N 1 0 238.262 0.689 10 0 BCAERO Cc1cnn(CCNC2=[NH+]CCCN2)c1 ZINC000262263013 135288963 /nfs/dbraw/zinc/28/89/63/135288963.db2.gz GSYRGGKTMYZRRE-UHFFFAOYSA-N 1 0 207.281 0.130 10 0 BCAERO CCCC1(C(=O)NC[C@H]2C[NH2+]C[C@@H]2O)CCC1 ZINC000262302011 135291554 /nfs/dbraw/zinc/29/15/54/135291554.db2.gz PRLHXYUQYBDWKR-MNOVXSKESA-N 1 0 240.347 0.653 10 0 BCAERO COC[C@H]([NH3+])C(=O)N1CCOC[C@@H]1CC(C)C ZINC000262309931 135292192 /nfs/dbraw/zinc/29/21/92/135292192.db2.gz OWMKZMHKJOMKLO-QWRGUYRKSA-N 1 0 244.335 0.234 10 0 BCAERO Cc1ccc(CC(=O)NC[C@@H]2C[NH2+]C[C@H]2O)cc1 ZINC000262305109 135292363 /nfs/dbraw/zinc/29/23/63/135292363.db2.gz PZXDTWHRPKDHEQ-QWHCGFSZSA-N 1 0 248.326 0.234 10 0 BCAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)[C@H]1CC12CCCC2 ZINC000262311911 135292372 /nfs/dbraw/zinc/29/23/72/135292372.db2.gz QLJWQDDUVBVLOG-AXFHLTTASA-N 1 0 238.331 0.263 10 0 BCAERO Cc1ccccc1C(=O)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000262313515 135292391 /nfs/dbraw/zinc/29/23/91/135292391.db2.gz QQEGOTZWPNODGN-CMPLNLGQSA-N 1 0 234.299 0.305 10 0 BCAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)[C@@H]1CC12CCCC2 ZINC000262311915 135292406 /nfs/dbraw/zinc/29/24/06/135292406.db2.gz QLJWQDDUVBVLOG-DCAQKATOSA-N 1 0 238.331 0.263 10 0 BCAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)c1ccc(F)cc1 ZINC000262334673 135293884 /nfs/dbraw/zinc/29/38/84/135293884.db2.gz SNQLGELWPVRTTE-ONGXEEELSA-N 1 0 238.262 0.136 10 0 BCAERO Cc1cscc1C(=O)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000262348160 135294388 /nfs/dbraw/zinc/29/43/88/135294388.db2.gz UGNIRHTUOWASLU-WPRPVWTQSA-N 1 0 240.328 0.367 10 0 BCAERO CC[C@](C)(NC(=O)[C@H](C)C1C[NH2+]C1)C(=O)OC ZINC000262349301 135294926 /nfs/dbraw/zinc/29/49/26/135294926.db2.gz GGPTZSURGGZWNC-PELKAZGASA-N 1 0 242.319 0.300 10 0 BCAERO COCCC1(CNC(=O)[C@@H]([NH3+])COC)CCC1 ZINC000262403155 135295399 /nfs/dbraw/zinc/29/53/99/135295399.db2.gz ZYUSXVRAJQTNQP-JTQLQIEISA-N 1 0 244.335 0.283 10 0 BCAERO Cc1cc(C)c(C(=O)NC[C@H]2C[NH2+]C[C@H]2O)o1 ZINC000262389498 135298293 /nfs/dbraw/zinc/29/82/93/135298293.db2.gz XUBQAFSFFLJSBF-NXEZZACHSA-N 1 0 238.287 0.207 10 0 BCAERO CCOC(=O)CN(C)C(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000262385932 135298600 /nfs/dbraw/zinc/29/86/00/135298600.db2.gz MDFSAHBJUFLGQK-UWVGGRQHSA-N 1 0 242.319 0.396 10 0 BCAERO Cc1cc(C)c(C(=O)NC[C@H]2C[NH2+]C[C@@H]2O)o1 ZINC000262389507 135298636 /nfs/dbraw/zinc/29/86/36/135298636.db2.gz XUBQAFSFFLJSBF-ZJUUUORDSA-N 1 0 238.287 0.207 10 0 BCAERO CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)C[NH3+] ZINC000262472753 135300948 /nfs/dbraw/zinc/30/09/48/135300948.db2.gz OJAFNEGGEPSXHK-GFCCVEGCSA-N 1 0 236.315 0.836 10 0 BCAERO CC(C)[C@@H]1OCC[C@H]1CNC(=O)C(C)(C)[NH3+] ZINC000262494043 135302465 /nfs/dbraw/zinc/30/24/65/135302465.db2.gz YMNKWUQZBXMOEC-UWVGGRQHSA-N 1 0 228.336 0.901 10 0 BCAERO COC[C@H]([NH3+])C(=O)N1CCCC[C@H]1C(C)C ZINC000262568418 135306602 /nfs/dbraw/zinc/30/66/02/135306602.db2.gz SBEGTYLOYTYNHB-QWRGUYRKSA-N 1 0 228.336 0.997 10 0 BCAERO CCOC(=O)CN(C)CC1CC(O)C1 ZINC000084452229 135306830 /nfs/dbraw/zinc/30/68/30/135306830.db2.gz ZKMKDDDJKKIPOQ-UHFFFAOYSA-N 1 0 201.266 0.252 10 0 BCAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1c[nH]c(C(N)=O)c1 ZINC000262606614 135308281 /nfs/dbraw/zinc/30/82/81/135308281.db2.gz BPTDCYQRAFBEMA-HZGVNTEJSA-N 1 0 238.291 0.426 10 0 BCAERO Cc1nnc2c(NC[C@H]3CCC[NH2+]3)nccn12 ZINC000079471171 135322481 /nfs/dbraw/zinc/32/24/81/135322481.db2.gz XMLAPAAYBPIPPL-SECBINFHSA-N 1 0 232.291 0.597 10 0 BCAERO C[C@@H](Nc1nccn2cnnc12)[C@H]1CCC[NH2+]C1 ZINC000079471130 135322485 /nfs/dbraw/zinc/32/24/85/135322485.db2.gz FOLVALADMVNSKM-ZJUUUORDSA-N 1 0 246.318 0.924 10 0 BCAERO C[N@H+](CCn1cccn1)CC1CC(O)C1 ZINC000084453616 135327126 /nfs/dbraw/zinc/32/71/26/135327126.db2.gz LYWQYMQXZYIXAH-UHFFFAOYSA-N 1 0 209.293 0.586 10 0 BCAERO Cc1ncccc1CNC[C@H]1C[NH2+]C[C@@H]1O ZINC000263122465 135333918 /nfs/dbraw/zinc/33/39/18/135333918.db2.gz BAXVIHSFZMBHDC-RYUDHWBXSA-N 1 0 221.304 0.060 10 0 BCAERO CN1CC[NH2+]C[C@@H]1c1noc(-c2cccnc2)n1 ZINC000263137315 135335078 /nfs/dbraw/zinc/33/50/78/135335078.db2.gz CCCIQYAGLMZILO-SNVBAGLBSA-N 1 0 245.286 0.708 10 0 BCAERO Cc1ccc(CNC[C@@H]2C[NH2+]C[C@H]2O)nc1 ZINC000263166174 135336144 /nfs/dbraw/zinc/33/61/44/135336144.db2.gz FFQXTXHPBNOWQO-ZYHUDNBSSA-N 1 0 221.304 0.060 10 0 BCAERO CC[C@@H](OC)c1nc([C@@H]2C[NH2+]CCN2C)no1 ZINC000263219399 135340051 /nfs/dbraw/zinc/34/00/51/135340051.db2.gz LOPYLSPKIXLVQW-DTWKUNHWSA-N 1 0 240.307 0.743 10 0 BCAERO CC[C@@H](OC)c1nc([C@H]2C[NH2+]CCN2C)no1 ZINC000263219401 135340082 /nfs/dbraw/zinc/34/00/82/135340082.db2.gz LOPYLSPKIXLVQW-RKDXNWHRSA-N 1 0 240.307 0.743 10 0 BCAERO O[C@H]1C[NH2+]C[C@@H]1CNCc1cccc(F)c1 ZINC000263216202 135340159 /nfs/dbraw/zinc/34/01/59/135340159.db2.gz KXRXQEKXLPUISP-JQWIXIFHSA-N 1 0 224.279 0.496 10 0 BCAERO C[C@H](COCc1ccccc1)NC(=O)C1C[NH2+]C1 ZINC000263231917 135340935 /nfs/dbraw/zinc/34/09/35/135340935.db2.gz AXHZUVQEDJWEEC-LLVKDONJSA-N 1 0 248.326 0.927 10 0 BCAERO COC[C@H]([NH3+])C(=O)Nc1ccc(C)cc1O ZINC000263254732 135342796 /nfs/dbraw/zinc/34/27/96/135342796.db2.gz QDOYDMFPXGSZOU-QMMMGPOBSA-N 1 0 224.260 0.613 10 0 BCAERO CN1CC[NH2+]C[C@H]1c1noc(C2CCC2)n1 ZINC000263271419 135343341 /nfs/dbraw/zinc/34/33/41/135343341.db2.gz SEWDJBVSKPDUEA-VIFPVBQESA-N 1 0 222.292 0.913 10 0 BCAERO CC(C)[N@H+](C)CCNC(=O)[C@H]1CC(F)(F)CN1 ZINC000263262153 135343889 /nfs/dbraw/zinc/34/38/89/135343889.db2.gz RBINGXVPWKSHNF-SECBINFHSA-N 1 0 249.305 0.440 10 0 BCAERO C[C@]1(CNC(=O)C2C[NH2+]C2)CCCC[C@H]1O ZINC000263294764 135345340 /nfs/dbraw/zinc/34/53/40/135345340.db2.gz MCVQLTWTHTUDOU-ZYHUDNBSSA-N 1 0 226.320 0.263 10 0 BCAERO CCOc1ccccc1CCNC(=O)C1C[NH2+]C1 ZINC000263303408 135345454 /nfs/dbraw/zinc/34/54/54/135345454.db2.gz NWSKPDDGQVXDCQ-UHFFFAOYSA-N 1 0 248.326 0.963 10 0 BCAERO CN1CC[NH2+]C[C@@H]1c1noc(CCC2CC2)n1 ZINC000263306703 135345621 /nfs/dbraw/zinc/34/56/21/135345621.db2.gz XYTDCLYHSGTKKU-SNVBAGLBSA-N 1 0 236.319 0.988 10 0 BCAERO C[C@@H](C[C@@H](O)c1ccccc1)NC(=O)C1C[NH2+]C1 ZINC000263321321 135346574 /nfs/dbraw/zinc/34/65/74/135346574.db2.gz RMMOUQYQYWJPMO-GXFFZTMASA-N 1 0 248.326 0.834 10 0 BCAERO C[C@@H](O)c1ccc(CNC(=O)C2C[NH2+]C2)cc1 ZINC000263327610 135347650 /nfs/dbraw/zinc/34/76/50/135347650.db2.gz TWEQNRKGROCICM-SECBINFHSA-N 1 0 234.299 0.576 10 0 BCAERO CC[N@H+](CC(=O)[O-])C1CC([NH2+]CC2CC2)C1 ZINC000263494054 135357022 /nfs/dbraw/zinc/35/70/22/135357022.db2.gz JDLJXOUEHXDGJG-UHFFFAOYSA-N 1 0 226.320 0.924 10 0 BCAERO Cc1nccc(CN2C[C@H]3CCC[NH2+][C@H]3C2)n1 ZINC000299921965 135383272 /nfs/dbraw/zinc/38/32/72/135383272.db2.gz RHRNSONVWAMBLW-YPMHNXCESA-N 1 0 232.331 0.969 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N(C)Cc1cscn1 ZINC000082559906 135439013 /nfs/dbraw/zinc/43/90/13/135439013.db2.gz REGMHIFNCOWENW-PSASIEDQSA-N 1 0 239.344 0.957 10 0 BCAERO C[C@]1(c2nc([C@@H]3CCOC3)no2)CC[NH2+]C1 ZINC000083715551 135455972 /nfs/dbraw/zinc/45/59/72/135455972.db2.gz DNQKQFOTYJUEQP-KCJUWKMLSA-N 1 0 223.276 0.825 10 0 BCAERO Cc1cc(NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)n(C)n1 ZINC000085009299 135477178 /nfs/dbraw/zinc/47/71/78/135477178.db2.gz NOUHFDFBHKJRRV-RKDXNWHRSA-N 1 0 222.292 0.794 10 0 BCAERO Cn1nccc1CNC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000085013109 135478184 /nfs/dbraw/zinc/47/81/84/135478184.db2.gz GJGZVAMDGGYLGW-RKDXNWHRSA-N 1 0 222.292 0.164 10 0 BCAERO C[C@@H]1CN(c2ncnc3c2cnn3C)[C@@H](C)C[NH2+]1 ZINC000086471177 135492870 /nfs/dbraw/zinc/49/28/70/135492870.db2.gz SJLOOISKHWEUCS-BDAKNGLRSA-N 1 0 246.318 0.550 10 0 BCAERO CO[C@H]1CCN(C(=O)C2CCC2)[C@@H](C[NH3+])C1 ZINC000165649927 135494957 /nfs/dbraw/zinc/49/49/57/135494957.db2.gz VBTSQJOEODHFIL-MNOVXSKESA-N 1 0 226.320 0.751 10 0 BCAERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)Nc1ccnn1C ZINC000087122716 135501813 /nfs/dbraw/zinc/50/18/13/135501813.db2.gz XWCZUTBPLKVFHO-DTWKUNHWSA-N 1 0 222.292 0.747 10 0 BCAERO [NH3+]C[C@H]1CCC[C@H]1Nc1ncnc2nc[nH]c21 ZINC000089092150 135528308 /nfs/dbraw/zinc/52/83/08/135528308.db2.gz SGVQBIPZVUJOFR-HTQZYQBOSA-N 1 0 232.291 0.892 10 0 BCAERO O=C(C[C@@H]1CC[NH2+]C1)N1CCO[C@@H]2CCC[C@H]21 ZINC000089747402 135541142 /nfs/dbraw/zinc/54/11/42/135541142.db2.gz MDBQRNJENSVPHX-QJPTWQEYSA-N 1 0 238.331 0.766 10 0 BCAERO Cc1cnc(C(=O)N(C)[C@@H]2CCC[NH2+]CC2)cn1 ZINC000231474861 135602878 /nfs/dbraw/zinc/60/28/78/135602878.db2.gz LJSVIQLQTASRQJ-LLVKDONJSA-N 1 0 248.330 0.999 10 0 BCAERO Cc1csc(=O)n1CC[NH2+][C@@H]1CCO[C@H]1C ZINC000348190203 136048958 /nfs/dbraw/zinc/04/89/58/136048958.db2.gz QZYFZZMVWSMHQH-VHSXEESVSA-N 1 0 242.344 0.985 10 0 BCAERO CN1CCC[C@H]1C[N@@H+]1C[C@@H](O)C(C)(C)C1 ZINC000387886613 397936147 /nfs/dbraw/zinc/93/61/47/397936147.db2.gz QIAKHTINVWGWRD-WDEREUQCSA-N 1 0 212.337 0.783 10 0 BCAERO [NH3+]C1CN(Cc2ccncc2Br)C1 ZINC000575462119 397943197 /nfs/dbraw/zinc/94/31/97/397943197.db2.gz PIVXGVNSCFNOJE-UHFFFAOYSA-N 1 0 242.120 0.987 10 0 BCAERO C[C@@H]1SCC[C@H]1[NH2+][C@@H]1CCNC1=O ZINC000575463737 397946787 /nfs/dbraw/zinc/94/67/87/397946787.db2.gz UJDGUOBYBLSKFT-XLPZGREQSA-N 1 0 200.307 0.359 10 0 BCAERO COc1ncc([C@@H]2COC[C@H]2[NH3+])s1 ZINC000575464575 397950518 /nfs/dbraw/zinc/95/05/18/397950518.db2.gz QBFJKQZNHXOJKP-PHDIDXHHSA-N 1 0 200.263 0.593 10 0 BCAERO CS[C@@H]1C[NH2+]C[C@H]1N1CC[C@H](F)C1 ZINC000575472198 397954334 /nfs/dbraw/zinc/95/43/34/397954334.db2.gz JFYPWLAUBJDJBS-DJLDLDEBSA-N 1 0 204.314 0.734 10 0 BCAERO Cc1nn(C)cc1C(=O)N1CC[C@H]([NH3+])[C@H]1C ZINC000390601643 397897150 /nfs/dbraw/zinc/89/71/50/397897150.db2.gz WBPDIZZXDHVFHA-SCZZXKLOSA-N 1 0 222.292 0.290 10 0 BCAERO Cc1c(C[NH2+][C@@H]2CCCN(C)C2=O)cnn1C ZINC000334255597 397916073 /nfs/dbraw/zinc/91/60/73/397916073.db2.gz OEOZBOYDGLSYGO-LLVKDONJSA-N 1 0 236.319 0.439 10 0 BCAERO CCOC(=O)[C@@H]1CC[N@H+](CC)CCO1 ZINC000616686285 397926635 /nfs/dbraw/zinc/92/66/35/397926635.db2.gz HLZGFESSIZWTDI-VIFPVBQESA-N 1 0 201.266 0.660 10 0 BCAERO COC(=O)CN1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000082699509 397997215 /nfs/dbraw/zinc/99/72/15/397997215.db2.gz NDIZXCCHANHPAX-NXEZZACHSA-N 1 0 212.293 0.328 10 0 BCAERO OCCN1CC[NH+](C[C@H]2CCC[C@@H](O)C2)CC1 ZINC000383430404 398019202 /nfs/dbraw/zinc/01/92/02/398019202.db2.gz BQDVDKHMUBZYRC-QWHCGFSZSA-N 1 0 242.363 0.147 10 0 BCAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)C1CC(F)(F)C1 ZINC000383450527 398020436 /nfs/dbraw/zinc/02/04/36/398020436.db2.gz MDLFZFBYAZSQCO-SVRRBLITSA-N 1 0 218.247 0.980 10 0 BCAERO C[C@H]1CN(C(=O)C2CC(F)(F)C2)C[C@@H]1[NH3+] ZINC000383447293 398021144 /nfs/dbraw/zinc/02/11/44/398021144.db2.gz LMTGYPVJHLRZNO-XPUUQOCRSA-N 1 0 218.247 0.837 10 0 BCAERO O=C(CC[C@@H]1CCC[NH2+]1)N[C@@H]1CCC[C@H](O)C1 ZINC000383654681 398033369 /nfs/dbraw/zinc/03/33/69/398033369.db2.gz KDOJLSUXCSGORS-TUAOUCFPSA-N 1 0 240.347 0.938 10 0 BCAERO C[C@@H]1CCN(C(=O)[C@H]2C[NH2+]CCOC2)C1 ZINC000643657380 398038000 /nfs/dbraw/zinc/03/80/00/398038000.db2.gz LHBLRDGFCNTROP-ZJUUUORDSA-N 1 0 212.293 0.091 10 0 BCAERO C[C@@H]1CCNC(=O)[C@H]1[NH2+]C1CSC1 ZINC000307134373 397986387 /nfs/dbraw/zinc/98/63/87/397986387.db2.gz OCYKTTYNFZIRSI-SVRRBLITSA-N 1 0 200.307 0.216 10 0 BCAERO Cc1nnsc1C[C@@]1([NH3+])CCO[C@@H]1C ZINC000307142460 397988210 /nfs/dbraw/zinc/98/82/10/397988210.db2.gz DXSJPNGCOJTEPS-APPZFPTMSA-N 1 0 213.306 0.895 10 0 BCAERO [NH3+]C[C@]1(N2C(=O)c3ccccc3C2=O)CCOC1 ZINC000307155584 397989577 /nfs/dbraw/zinc/98/95/77/397989577.db2.gz MMEOTKFMSSZBRP-CYBMUJFWSA-N 1 0 246.266 0.400 10 0 BCAERO CC(C)[S@](=O)[C@@H]1C[NH2+]CC[C@]1(C)O ZINC000307298277 398064747 /nfs/dbraw/zinc/06/47/47/398064747.db2.gz WTOPJLGFQZEDQN-ZDMBXUJBSA-N 1 0 205.323 0.256 10 0 BCAERO CC[NH2+][C@@H](C)C(=O)N1CCN2CCCC[C@H]2C1 ZINC000638088099 398070822 /nfs/dbraw/zinc/07/08/22/398070822.db2.gz YUZAZWQQMLVGEJ-RYUDHWBXSA-N 1 0 239.363 0.681 10 0 BCAERO CN(CC[NH+](C)C)C(=O)c1ccccc1N ZINC000041238015 398077093 /nfs/dbraw/zinc/07/70/93/398077093.db2.gz HRYKXTGPAZYRRA-UHFFFAOYSA-N 1 0 221.304 0.902 10 0 BCAERO C[NH2+]Cc1cn(C[C@H](O)C(C)(C)C)nn1 ZINC000389361506 398078504 /nfs/dbraw/zinc/07/85/04/398078504.db2.gz DXFMAQPUUYPDMP-VIFPVBQESA-N 1 0 212.297 0.405 10 0 BCAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H](O)C1 ZINC000384293209 398081733 /nfs/dbraw/zinc/08/17/33/398081733.db2.gz WNDJCBPMPZSAQC-YFKTTZPYSA-N 1 0 240.347 0.794 10 0 BCAERO C[C@@H]1C[C@H](NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)[C@@H](C)O1 ZINC000384559425 398096661 /nfs/dbraw/zinc/09/66/61/398096661.db2.gz HNHAJXUXBNZFFY-ILAIQSSSSA-N 1 0 226.320 0.796 10 0 BCAERO COc1nc(C)nc(N(C)CC[NH3+])c1C ZINC000107211495 322862192 /nfs/dbraw/zinc/86/21/92/322862192.db2.gz NVGFGOUVPRNBLX-UHFFFAOYSA-N 1 0 210.281 0.497 10 0 BCAERO C[C@@H]1C[C@@H](NC(=O)C2([NH3+])CCOCC2)[C@@H](C)O1 ZINC000384906613 398116176 /nfs/dbraw/zinc/11/61/76/398116176.db2.gz ODRYJEGFFWHZBV-OPRDCNLKSA-N 1 0 242.319 0.176 10 0 BCAERO O=C(Nc1ccccc1-n1cncn1)[C@H]1CC[NH2+]1 ZINC000384840631 398110646 /nfs/dbraw/zinc/11/06/46/398110646.db2.gz SYCVVQHNHHTVFL-SNVBAGLBSA-N 1 0 243.270 0.568 10 0 BCAERO CC[N@@H+]1CC[C@H](NC(=O)c2cnc(NC)cn2)C1 ZINC000389588306 398115095 /nfs/dbraw/zinc/11/50/95/398115095.db2.gz NQTAJPOXRFKGIJ-VIFPVBQESA-N 1 0 249.318 0.342 10 0 BCAERO CO[C@@H](Cn1cc(C(C)(C)[NH3+])nn1)C1CC1 ZINC000400283250 398123304 /nfs/dbraw/zinc/12/33/04/398123304.db2.gz SDFBUTZXRASUKR-VIFPVBQESA-N 1 0 224.308 0.897 10 0 BCAERO C/C=C/CNC(=O)C1(C[NH3+])CCOCC1 ZINC000385090417 398132678 /nfs/dbraw/zinc/13/26/78/398132678.db2.gz XWUMCCLYMROJSF-NSCUHMNNSA-N 1 0 212.293 0.434 10 0 BCAERO COC[C@@]1(C(=O)Nc2ccncc2)CCC[NH2+]1 ZINC000649275568 398134313 /nfs/dbraw/zinc/13/43/13/398134313.db2.gz OMDLMBAUMHTFEL-GFCCVEGCSA-N 1 0 235.287 0.211 10 0 BCAERO CC(C)C[NH2+]C1(C(N)=O)CCSCC1 ZINC000041048796 167003324 /nfs/dbraw/zinc/00/33/24/167003324.db2.gz WTNDVNFOWLSYIY-UHFFFAOYSA-N 1 0 216.350 0.983 10 0 BCAERO C[NH2+]CCN(Cc1ccco1)S(C)(=O)=O ZINC000076615030 173354232 /nfs/dbraw/zinc/35/42/32/173354232.db2.gz NTTQBTYIXTYCKV-UHFFFAOYSA-N 1 0 232.305 0.261 10 0 BCAERO CC(C)NC(=O)C[NH2+][C@H]1CN2CCC1CC2 ZINC000020070641 167060746 /nfs/dbraw/zinc/06/07/46/167060746.db2.gz GDABJLAQCFAYRZ-NSHDSACASA-N 1 0 225.336 0.195 10 0 BCAERO COCCCNC(=O)[C@@H](C)[NH2+]CC1CC1 ZINC000034939898 174243035 /nfs/dbraw/zinc/24/30/35/174243035.db2.gz GUAZMSWRUWREAL-SECBINFHSA-N 1 0 214.309 0.527 10 0 BCAERO CC(C)[NH2+]CC(=O)N1CCOCC1(C)C ZINC000042463018 167096997 /nfs/dbraw/zinc/09/69/97/167096997.db2.gz OHUBKHLKEUTZAZ-UHFFFAOYSA-N 1 0 214.309 0.622 10 0 BCAERO CC(C)[NH2+]CCN1CCN2C(=O)CC[C@H]2C1 ZINC000123483790 167104199 /nfs/dbraw/zinc/10/41/99/167104199.db2.gz OMNOZMVFABONDU-NSHDSACASA-N 1 0 225.336 0.291 10 0 BCAERO CC(C)[NH2+]C[C@H](C)N1CCS(=O)(=O)CC1 ZINC000052480214 167112873 /nfs/dbraw/zinc/11/28/73/167112873.db2.gz WULVCQBPSCOFTC-JTQLQIEISA-N 1 0 234.365 0.103 10 0 BCAERO CC(C)NS(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000019486292 167127146 /nfs/dbraw/zinc/12/71/46/167127146.db2.gz FDEHLHMHKLDSBO-MRVPVSSYSA-N 1 0 206.311 0.066 10 0 BCAERO CC(C)NS(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000019486294 167130840 /nfs/dbraw/zinc/13/08/40/167130840.db2.gz FDEHLHMHKLDSBO-QMMMGPOBSA-N 1 0 206.311 0.066 10 0 BCAERO O=C(NC[C@@H]1CCCC[C@H]1O)[C@H]1CCC[NH2+]1 ZINC000157728054 487558733 /nfs/dbraw/zinc/55/87/33/487558733.db2.gz FJZCHQYSUKAIJS-HBNTYKKESA-N 1 0 226.320 0.406 10 0 BCAERO CCCCOC[C@H](O)C[NH2+]C[C@@H]1CCOC1 ZINC000227889743 487562571 /nfs/dbraw/zinc/56/25/71/487562571.db2.gz YCULYVKETOZDGV-NWDGAFQWSA-N 1 0 231.336 0.790 10 0 BCAERO CC(C)CCN(C)C(=O)C1([NH3+])CCOCC1 ZINC000149681991 487564166 /nfs/dbraw/zinc/56/41/66/487564166.db2.gz JTYARRZECPDLKU-UHFFFAOYSA-N 1 0 228.336 0.999 10 0 BCAERO CN(C)C(=O)c1ccc(N[C@@H]2CC[NH2+]C2)nc1 ZINC000095012963 487566769 /nfs/dbraw/zinc/56/67/69/487566769.db2.gz QZCURJAHOURNMK-SNVBAGLBSA-N 1 0 234.303 0.557 10 0 BCAERO CC(C)OC[C@H](O)C[NH2+]C[C@@H](O)C(C)(C)C ZINC000324301092 487570299 /nfs/dbraw/zinc/57/02/99/487570299.db2.gz CXLWFGXDNUIKCF-GHMZBOCLSA-N 1 0 233.352 0.769 10 0 BCAERO C[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H](O)C(C)(C)C ZINC000324321299 487573780 /nfs/dbraw/zinc/57/37/80/487573780.db2.gz HTTYLGMPSMWYMT-LPEHRKFASA-N 1 0 228.336 0.508 10 0 BCAERO CC(C)(C)[C@H](O)CNC(=O)CCCC[NH3+] ZINC000324352062 487579803 /nfs/dbraw/zinc/57/98/03/487579803.db2.gz PEMZZILHOKXROS-SECBINFHSA-N 1 0 216.325 0.639 10 0 BCAERO CC(C)OCCN1CC[N@@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000105822735 167235471 /nfs/dbraw/zinc/23/54/71/167235471.db2.gz XCMKHYHOPYUBBE-CHWSQXEVSA-N 1 0 244.379 0.798 10 0 BCAERO CC(C)OCC[NH2+][C@@H]1CCC(=O)N[C@@H]1C ZINC000308998636 167243162 /nfs/dbraw/zinc/24/31/62/167243162.db2.gz NGZSVOQOEILOEM-NXEZZACHSA-N 1 0 214.309 0.668 10 0 BCAERO O=C(CC[C@H]1CCC[NH2+]1)NCCCCO ZINC000308924217 487584969 /nfs/dbraw/zinc/58/49/69/487584969.db2.gz CUFDHUOTUDNFGQ-SNVBAGLBSA-N 1 0 214.309 0.407 10 0 BCAERO COC[C@H](C)NCc1nnnn1C(C)(C)C ZINC000393808876 487585583 /nfs/dbraw/zinc/58/55/83/487585583.db2.gz YRGLJCCYDQLVMF-QMMMGPOBSA-N 1 0 227.312 0.553 10 0 BCAERO CC(C)OCCNC(=O)C1(C[NH3+])CCOCC1 ZINC000160149596 487595938 /nfs/dbraw/zinc/59/59/38/487595938.db2.gz QLOLBFGJFMSELX-UHFFFAOYSA-N 1 0 244.335 0.283 10 0 BCAERO COC[C@H](C)[NH2+]CC(=O)NCC1CCC1 ZINC000308954926 487596674 /nfs/dbraw/zinc/59/66/74/487596674.db2.gz QGPCDVGXRSAIRS-VIFPVBQESA-N 1 0 214.309 0.527 10 0 BCAERO COCCn1ccnc1[C@H]1[NH2+]CC12CC2 ZINC000536955668 487604166 /nfs/dbraw/zinc/60/41/66/487604166.db2.gz RQEUBWUXEYENHR-SECBINFHSA-N 1 0 207.277 0.954 10 0 BCAERO CC(C)S(=O)(=O)N[C@H](C)[C@H]1CCCC[NH2+]1 ZINC000037657543 167319436 /nfs/dbraw/zinc/31/94/36/167319436.db2.gz DENWBPVPHZDIQK-NXEZZACHSA-N 1 0 234.365 0.845 10 0 BCAERO CC(C)S(=O)(=O)N(C)[C@H]1CCC[NH2+]C1 ZINC000037657325 167319487 /nfs/dbraw/zinc/31/94/87/167319487.db2.gz ZLVYNDVICNZXGF-VIFPVBQESA-N 1 0 220.338 0.408 10 0 BCAERO CC(C)S(=O)(=O)N1CC[C@H](C[NH3+])C1 ZINC000050246640 167319884 /nfs/dbraw/zinc/31/98/84/167319884.db2.gz UOJSETOOJMBFSD-MRVPVSSYSA-N 1 0 206.311 0.005 10 0 BCAERO CC(C)S(=O)(=O)NC[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000062037522 167320001 /nfs/dbraw/zinc/32/00/01/167320001.db2.gz NYGUNGGFZNTDQF-ZJUUUORDSA-N 1 0 234.365 0.702 10 0 BCAERO CC(C)S(=O)(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000038050214 167319623 /nfs/dbraw/zinc/31/96/23/167319623.db2.gz XBSJDXJRTCNIKH-RKDXNWHRSA-N 1 0 220.338 0.584 10 0 BCAERO CC(C)S(=O)(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000077453596 167320082 /nfs/dbraw/zinc/32/00/82/167320082.db2.gz RLKJKQANIKWBKR-BDAKNGLRSA-N 1 0 218.322 0.018 10 0 BCAERO [NH3+][C@H]1CCC[C@H](C(=O)Nc2cc[nH]n2)C1 ZINC000070502929 409801408 /nfs/dbraw/zinc/80/14/08/409801408.db2.gz ILTYJOSIGWOLPV-YUMQZZPRSA-N 1 0 208.265 0.866 10 0 BCAERO CCOCCCC(=O)N1CC[C@@H]([NH3+])[C@@H]1C ZINC000308808260 409904839 /nfs/dbraw/zinc/90/48/39/409904839.db2.gz BLGYGMKTNQZIEQ-VHSXEESVSA-N 1 0 214.309 0.751 10 0 BCAERO COc1ccnc(N2CCO[C@@H]([C@@H](C)[NH3+])C2)n1 ZINC000132903255 409980737 /nfs/dbraw/zinc/98/07/37/409980737.db2.gz BXMGEJZMPRIQEC-RKDXNWHRSA-N 1 0 238.291 0.038 10 0 BCAERO COC[C@H](C)NC(=O)CCC1CC[NH2+]CC1 ZINC000050939293 409933043 /nfs/dbraw/zinc/93/30/43/409933043.db2.gz FJHVDFZJDYNSFY-JTQLQIEISA-N 1 0 228.336 0.917 10 0 BCAERO Cc1cn(C)nc1NC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000662970263 409998218 /nfs/dbraw/zinc/99/82/18/409998218.db2.gz HNPILCFKKHVEGF-BDAKNGLRSA-N 1 0 222.292 0.794 10 0 BCAERO C[C@H](O)CCNC(=O)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000407356353 410002779 /nfs/dbraw/zinc/00/27/79/410002779.db2.gz OKLVBOSATDFYFG-JMJZKYOTSA-N 1 0 226.320 0.404 10 0 BCAERO C[NH2+][C@H](C)C(=O)N1CCCOC(C)(C)C1 ZINC000309001055 487612802 /nfs/dbraw/zinc/61/28/02/487612802.db2.gz OBLHAKUEQUTFPH-SECBINFHSA-N 1 0 214.309 0.622 10 0 BCAERO C[NH2+]C[C@@H](C)Nc1ncnc2nc[nH]c21 ZINC000663281048 410096055 /nfs/dbraw/zinc/09/60/55/410096055.db2.gz NZEADOMAWLBYCD-ZCFIWIBFSA-N 1 0 206.253 0.373 10 0 BCAERO C[C@@H]1SCC[C@@H]1NC(=O)[C@@H]1C[NH2+]CCOC1 ZINC000653176071 410152746 /nfs/dbraw/zinc/15/27/46/410152746.db2.gz JQBSGMKPWZCBRL-AEJSXWLSSA-N 1 0 244.360 0.233 10 0 BCAERO CO[C@H](C)CCC(=O)N1CC[C@@H]([NH3+])[C@@H]1C ZINC000309050475 410208189 /nfs/dbraw/zinc/20/81/89/410208189.db2.gz PMQXHBFGEGPMIS-KXUCPTDWSA-N 1 0 214.309 0.750 10 0 BCAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]C[C@H]1CCCN1C ZINC000393000361 410286644 /nfs/dbraw/zinc/28/66/44/410286644.db2.gz SJNRBQNVHAEARF-HBNTYKKESA-N 1 0 225.336 0.337 10 0 BCAERO C[C@H]([NH3+])CCNC(=O)/C=C\c1cccnc1 ZINC000255370486 322926436 /nfs/dbraw/zinc/92/64/36/322926436.db2.gz NWCSZVQHZMLXOM-LWTINBJPSA-N 1 0 219.288 0.948 10 0 BCAERO CC(C)[C@@H]([NH3+])CC(=O)NCC(=O)NCC1CC1 ZINC000393138489 410297676 /nfs/dbraw/zinc/29/76/76/410297676.db2.gz CFVHEQWDXLOWIQ-JTQLQIEISA-N 1 0 241.335 0.002 10 0 BCAERO CC[C@H]1CN(C(=O)C[C@@H]([NH3+])C(C)C)CCO1 ZINC000128927257 410365165 /nfs/dbraw/zinc/36/51/65/410365165.db2.gz SZDAIUZLSPJFTF-WDEREUQCSA-N 1 0 228.336 0.997 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)NCC1CCOCC1 ZINC000129066749 410368002 /nfs/dbraw/zinc/36/80/02/410368002.db2.gz YKJGUSUHSYEHIM-LLVKDONJSA-N 1 0 228.336 0.903 10 0 BCAERO CCn1nc(C)cc1C(=O)NC[C@@H]1CC[NH2+]C1 ZINC000133665473 410519026 /nfs/dbraw/zinc/51/90/26/410519026.db2.gz VBSBUUOPYXJUCE-SNVBAGLBSA-N 1 0 236.319 0.551 10 0 BCAERO CC(C)CC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000116784650 166761589 /nfs/dbraw/zinc/76/15/89/166761589.db2.gz OBISOJMOJPRGKR-NSHDSACASA-N 1 0 228.336 0.822 10 0 BCAERO C[C@]1(C(=O)N[C@H]2CCCOCC2)CCC[NH2+]1 ZINC000393807804 410760237 /nfs/dbraw/zinc/76/02/37/410760237.db2.gz XOZAIOHFNSQDHR-CMPLNLGQSA-N 1 0 226.320 0.814 10 0 BCAERO O=S(=O)(CCC1CC1)NC[C@@H]1CC[NH2+]C1 ZINC000308895730 410789569 /nfs/dbraw/zinc/78/95/69/410789569.db2.gz SGYVEXWUVZPLNZ-SNVBAGLBSA-N 1 0 232.349 0.315 10 0 BCAERO Cc1cnc(CCNC(=O)[C@@H]2CC[NH2+]C2)c(C)c1 ZINC000655489158 410794864 /nfs/dbraw/zinc/79/48/64/410794864.db2.gz UPDKPRKOVCSYJR-GFCCVEGCSA-N 1 0 247.342 0.967 10 0 BCAERO COCC1(CNC(=O)[C@H]2CC[NH2+]C2)CC1 ZINC000655490021 410802700 /nfs/dbraw/zinc/80/27/00/410802700.db2.gz DEJKJJUFTTYVHD-VIFPVBQESA-N 1 0 212.293 0.139 10 0 BCAERO COCC1(CNC(=O)[C@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000655490577 410807835 /nfs/dbraw/zinc/80/78/35/410807835.db2.gz NUGKEPWBQXQHOT-MNOVXSKESA-N 1 0 240.347 0.904 10 0 BCAERO CCC[C@H]([NH3+])C(=O)NCC1(COC)CC1 ZINC000655490917 410809701 /nfs/dbraw/zinc/80/97/01/410809701.db2.gz WKKDRHKNBGVOPW-VIFPVBQESA-N 1 0 214.309 0.657 10 0 BCAERO COCC1(CNC(=O)[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000655490872 410809825 /nfs/dbraw/zinc/80/98/25/410809825.db2.gz VBSCRWKGYVQHBW-NXEZZACHSA-N 1 0 226.320 0.385 10 0 BCAERO C[C@H]1[NH2+]CCC[C@H]1C(=O)N(C)Cc1cn[nH]c1 ZINC000395230701 410842566 /nfs/dbraw/zinc/84/25/66/410842566.db2.gz FCALKDNUQOPBHM-MWLCHTKSSA-N 1 0 236.319 0.756 10 0 BCAERO C[C@@H]1C[N@H+](C[C@@H]2CCCN2C)CC[C@@H]1O ZINC000395310871 410843779 /nfs/dbraw/zinc/84/37/79/410843779.db2.gz BELDZJVYCIYIQX-WOPDTQHZSA-N 1 0 212.337 0.783 10 0 BCAERO CCn1ccnc(NCCC2(C[NH3+])CC2)c1=O ZINC000395970711 410869038 /nfs/dbraw/zinc/86/90/38/410869038.db2.gz YFFWWFBYGKYMBW-UHFFFAOYSA-N 1 0 236.319 0.804 10 0 BCAERO CC(C)(C)[C@H]([NH3+])C(=O)N[C@H]1CCC[C@@H](O)C1 ZINC000040462118 410873686 /nfs/dbraw/zinc/87/36/86/410873686.db2.gz WXTBQMUIAJLQBR-IVZWLZJFSA-N 1 0 228.336 0.780 10 0 BCAERO C[NH2+][C@@H](C)CNC(=O)c1ccnc(C)n1 ZINC000396875209 410903620 /nfs/dbraw/zinc/90/36/20/410903620.db2.gz DDWDCFWKMBJOGU-ZETCQYMHSA-N 1 0 208.265 0.123 10 0 BCAERO CC(C)C[NH2+][C@H]1CC(=O)N(C2CC2)C1=O ZINC000036850885 167014603 /nfs/dbraw/zinc/01/46/03/167014603.db2.gz ONJNNAFKKREWKD-VIFPVBQESA-N 1 0 210.277 0.522 10 0 BCAERO CC(C)COCC(=O)N1CC[NH2+]CC1 ZINC000019439297 167023687 /nfs/dbraw/zinc/02/36/87/167023687.db2.gz VKDZOIGROKVABW-UHFFFAOYSA-N 1 0 200.282 0.091 10 0 BCAERO CC(C)NC(=O)CCNC(=O)[C@H]1CCC[C@@H]1[NH3+] ZINC000135251396 167041314 /nfs/dbraw/zinc/04/13/14/167041314.db2.gz PDKKIZQBWHXWFO-UWVGGRQHSA-N 1 0 241.335 0.145 10 0 BCAERO CC(C)NC(=O)C[N@H+](C)CCC(N)=S ZINC000019834948 167049807 /nfs/dbraw/zinc/04/98/07/167049807.db2.gz XYVCSXMDSWWPCE-UHFFFAOYSA-N 1 0 217.338 0.119 10 0 BCAERO CC(C)NC(=O)CN1CC[C@H](C)C[C@@H]1C[NH3+] ZINC000224843404 167054535 /nfs/dbraw/zinc/05/45/35/167054535.db2.gz BGPFBHJMNGPLFW-WDEREUQCSA-N 1 0 227.352 0.570 10 0 BCAERO CCN(CC)CC[NH2+]CCn1cnccc1=O ZINC000104271448 169779780 /nfs/dbraw/zinc/77/97/80/169779780.db2.gz UKRNKYDUQQOVTP-UHFFFAOYSA-N 1 0 238.335 0.175 10 0 BCAERO CC(C)NC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000117022210 167070013 /nfs/dbraw/zinc/07/00/13/167070013.db2.gz AIBYDYUDZMOZRO-JTQLQIEISA-N 1 0 229.324 0.367 10 0 BCAERO CC(C)NC(=O)[C@@H](C)[NH2+]C[C@H]1CCCOC1 ZINC000038045798 167079278 /nfs/dbraw/zinc/07/92/78/167079278.db2.gz NMRHCUNJUTXTPI-GHMZBOCLSA-N 1 0 228.336 0.916 10 0 BCAERO CC(C)NC(=O)[C@@H](C)N1CCC[NH2+]CC1 ZINC000026514086 167079456 /nfs/dbraw/zinc/07/94/56/167079456.db2.gz SQIXKMAKNBOMID-SNVBAGLBSA-N 1 0 213.325 0.195 10 0 BCAERO CC(C)NC(=S)N[C@@H]1C[NH+]2CCC1CC2 ZINC000135779636 167092617 /nfs/dbraw/zinc/09/26/17/167092617.db2.gz BYZJLZSJQJYKBG-SNVBAGLBSA-N 1 0 227.377 0.953 10 0 BCAERO CC(C)[NH2+]CCNCCCN1CCOCC1 ZINC000049478649 167107323 /nfs/dbraw/zinc/10/73/23/167107323.db2.gz MUDYANCNTPXVGJ-UHFFFAOYSA-N 1 0 229.368 0.296 10 0 BCAERO CC(C)[NH2+]CC[C@@H]1CCS(=O)(=O)C1 ZINC000052949285 167108395 /nfs/dbraw/zinc/10/83/95/167108395.db2.gz RKSBKHUQCSREAF-SECBINFHSA-N 1 0 205.323 0.809 10 0 BCAERO CC(C)[NH2+]CCn1cnc2c(cnn2C)c1=O ZINC000053533478 167109339 /nfs/dbraw/zinc/10/93/39/167109339.db2.gz QWXVRCKQTYDTTB-UHFFFAOYSA-N 1 0 235.291 0.128 10 0 BCAERO CC(C)[NH2+]CCn1nc2n(c1=O)CCCC2 ZINC000061817489 167109816 /nfs/dbraw/zinc/10/98/16/167109816.db2.gz NHRJZNXZKHBHRT-UHFFFAOYSA-N 1 0 224.308 0.379 10 0 BCAERO CC(C)[NH2+]C[C@H](O)CN(C)Cc1ccccn1 ZINC000036777309 167113202 /nfs/dbraw/zinc/11/32/02/167113202.db2.gz ODDNMMQPAWWKJX-ZDUSSCGKSA-N 1 0 237.347 0.872 10 0 BCAERO O=C(CC[C@H]1CCC[NH2+]1)N1CCc2n[nH]nc2C1 ZINC000396887358 410905261 /nfs/dbraw/zinc/90/52/61/410905261.db2.gz SVXWZSMMECQQGF-SECBINFHSA-N 1 0 249.318 0.222 10 0 BCAERO CC(C)NS(=O)(=O)C[C@@H]1CCCC[NH2+]1 ZINC000049630535 167123848 /nfs/dbraw/zinc/12/38/48/167123848.db2.gz ZHWCUJXUAYFNAR-VIFPVBQESA-N 1 0 220.338 0.456 10 0 BCAERO CC(C)[NH2+]Cc1nnnn1C[C@H]1CCCOC1 ZINC000054747703 167124644 /nfs/dbraw/zinc/12/46/44/167124644.db2.gz JTKPLJFFDLRMJO-SNVBAGLBSA-N 1 0 239.323 0.598 10 0 BCAERO CC(C)[NH2+][C@@H](C(N)=O)c1ccc2c(c1)OCO2 ZINC000037446595 167130308 /nfs/dbraw/zinc/13/03/08/167130308.db2.gz AIJMCZZFXOMRBA-LLVKDONJSA-N 1 0 236.271 0.940 10 0 BCAERO CC(C)OC(=O)CN1CCC([NH3+])CC1 ZINC000036754121 167160362 /nfs/dbraw/zinc/16/03/62/167160362.db2.gz YQRNWNLNARIJBB-UHFFFAOYSA-N 1 0 200.282 0.361 10 0 BCAERO CC[NH+](CC)CCSC[C@H]([NH3+])C(=O)[O-] ZINC000019470259 169783385 /nfs/dbraw/zinc/78/33/85/169783385.db2.gz WIEHLBPQRGZODT-QMMMGPOBSA-N 1 0 220.338 0.473 10 0 BCAERO CC(C)OC[C@H](C)[NH2+]CCn1cncn1 ZINC000309007327 167265479 /nfs/dbraw/zinc/26/54/79/167265479.db2.gz QITYUNPCXUQVAN-JTQLQIEISA-N 1 0 212.297 0.681 10 0 BCAERO Cc1cc(C(=O)N2CC[C@H]([NH3+])[C@H]2C)n(C)n1 ZINC000309265214 410913230 /nfs/dbraw/zinc/91/32/30/410913230.db2.gz FDIDAUNRUCKDBP-BDAKNGLRSA-N 1 0 222.292 0.290 10 0 BCAERO CC(C)Oc1cccc([C@H]([NH3+])C(N)=O)c1 ZINC000041663747 167308215 /nfs/dbraw/zinc/30/82/15/167308215.db2.gz SDSRUYNXWSXOCI-JTQLQIEISA-N 1 0 208.261 0.959 10 0 BCAERO C[C@]1(CNC(=O)[C@H]2CCC[C@@H]2C[NH3+])CCOC1 ZINC000397218881 410915347 /nfs/dbraw/zinc/91/53/47/410915347.db2.gz IIAMXLUHBSOXEP-NTZNESFSSA-N 1 0 240.347 0.904 10 0 BCAERO CC(C)[C@@H](C(=O)[O-])[N@H+](C)C1CC[NH2+]CC1 ZINC000042430811 167343854 /nfs/dbraw/zinc/34/38/54/167343854.db2.gz DWPINCFGENMUMD-JTQLQIEISA-N 1 0 214.309 0.779 10 0 BCAERO CC(C)[C@@H](C)N(C)S(=O)(=O)N1CC[NH2+]CC1 ZINC000036787635 167367982 /nfs/dbraw/zinc/36/79/82/167367982.db2.gz DMQKMZDUWJKDLB-SNVBAGLBSA-N 1 0 249.380 0.113 10 0 BCAERO CC(C)[C@@H](C)[NH2+]CCN1CCOCC1 ZINC000019954416 167382875 /nfs/dbraw/zinc/38/28/75/167382875.db2.gz RVJXTCWRARPYGO-LLVKDONJSA-N 1 0 200.326 0.953 10 0 BCAERO CC(C)[C@@H](C[NH3+])C(=O)N1CCCOCC1 ZINC000061918846 167394477 /nfs/dbraw/zinc/39/44/77/167394477.db2.gz RYCJIFLLTDBDPW-SNVBAGLBSA-N 1 0 214.309 0.466 10 0 BCAERO CC(C)[C@@H](C[NH3+])C(=O)N[C@@H](C)c1nncn1C ZINC000050418465 167397741 /nfs/dbraw/zinc/39/77/41/167397741.db2.gz JYEUWYWNTYHBQX-DTWKUNHWSA-N 1 0 239.323 0.223 10 0 BCAERO C[C@@H](Cn1cccn1)NC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000104213104 410928356 /nfs/dbraw/zinc/92/83/56/410928356.db2.gz UNSKZEAAHTZPDC-OUAUKWLOSA-N 1 0 236.319 0.243 10 0 BCAERO C[C@H](CO)C[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000398738209 410984199 /nfs/dbraw/zinc/98/41/99/410984199.db2.gz FJFIHOUFSNOBPC-FIQHERPVSA-N 1 0 213.321 0.708 10 0 BCAERO Cc1ocnc1CNC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000398126272 410944305 /nfs/dbraw/zinc/94/43/05/410944305.db2.gz YYIFBVSPFQRKDP-VHSXEESVSA-N 1 0 237.303 0.974 10 0 BCAERO COC[C@H](C)NC(=O)[C@@H](C(C)C)[C@@H](C)[NH3+] ZINC000399498741 411046925 /nfs/dbraw/zinc/04/69/25/411046925.db2.gz ICWARVHNZUWKRA-AEJSXWLSSA-N 1 0 216.325 0.757 10 0 BCAERO CC(C)[C@@H](C(=O)NCC[C@H](C)O)[C@H](C)[NH3+] ZINC000399706008 411059356 /nfs/dbraw/zinc/05/93/56/411059356.db2.gz DPPGDKPLNLNSOB-LPEHRKFASA-N 1 0 216.325 0.493 10 0 BCAERO C[C@@H]1C[NH+]([C@@H]2CCC[C@H]2O)C[C@@H](C)C1O ZINC000661620623 411070187 /nfs/dbraw/zinc/07/01/87/411070187.db2.gz KKXOGIFXCLPXRM-GWOFURMSSA-N 1 0 213.321 0.849 10 0 BCAERO C[C@H](Cc1ccccn1)NC(=O)[C@H]1CC[NH2+]C1 ZINC000655499434 411028993 /nfs/dbraw/zinc/02/89/93/411028993.db2.gz LJEBIRZULGPHEQ-MNOVXSKESA-N 1 0 233.315 0.738 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N[C@@H](C)Cc1ccccn1 ZINC000655499787 411035041 /nfs/dbraw/zinc/03/50/41/411035041.db2.gz QGYYQDQLEAQFIK-GXSJLCMTSA-N 1 0 237.303 0.103 10 0 BCAERO COC[C@@H](C)NC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000309392260 411162872 /nfs/dbraw/zinc/16/28/72/411162872.db2.gz GBDQFAKELJHITM-KXUCPTDWSA-N 1 0 214.309 0.513 10 0 BCAERO C[C@H](C[NH3+])C(=O)NCC[C@H]1CCCO1 ZINC000044808387 411140891 /nfs/dbraw/zinc/14/08/91/411140891.db2.gz SXCABNMUILOJBL-RKDXNWHRSA-N 1 0 200.282 0.267 10 0 BCAERO COC[C@H](C)OC[C@H](O)C[NH2+][C@H]1CCO[C@@H]1C ZINC000300261754 411117232 /nfs/dbraw/zinc/11/72/32/411117232.db2.gz PDVZJWKEPXSADC-QCNOEVLYSA-N 1 0 247.335 0.166 10 0 BCAERO CCC[C@@H]1C[C@@H]1[NH2+]C[C@@H](O)CN1CCOCC1 ZINC000300577205 411124110 /nfs/dbraw/zinc/12/41/10/411124110.db2.gz DRBWETBCHHSXFK-UPJWGTAASA-N 1 0 242.363 0.458 10 0 BCAERO N#Cc1cnccc1NC[C@H]1CCCC[NH2+]1 ZINC000398976370 411178547 /nfs/dbraw/zinc/17/85/47/411178547.db2.gz CSZLYUHOOVRXOL-LLVKDONJSA-N 1 0 216.288 0.929 10 0 BCAERO COCC[C@H](C)[NH2+][C@@H]1CCC(=O)N[C@@H]1C ZINC000336773959 411181952 /nfs/dbraw/zinc/18/19/52/411181952.db2.gz ZDFHQXMSFIVCOY-IVZWLZJFSA-N 1 0 214.309 0.668 10 0 BCAERO COCC1(CC(=O)NC[C@@H]2CC[NH2+]C2)CC1 ZINC000401261296 411186512 /nfs/dbraw/zinc/18/65/12/411186512.db2.gz QZHSNTFLTAZOSO-SNVBAGLBSA-N 1 0 226.320 0.529 10 0 BCAERO C[C@H]1C[C@@H](NC(=O)C2CCC([NH3+])CC2)CO1 ZINC000402037198 411192487 /nfs/dbraw/zinc/19/24/87/411192487.db2.gz GZWMSOUHHGBYSY-IDWGSYCQSA-N 1 0 226.320 0.798 10 0 BCAERO CC(C)[C@@H]([NH3+])CC(=O)NC1CCOCC1 ZINC000128941128 411193650 /nfs/dbraw/zinc/19/36/50/411193650.db2.gz ITVKQFWHTVRYHA-JTQLQIEISA-N 1 0 214.309 0.655 10 0 BCAERO COc1ncccc1C(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000061883790 411194552 /nfs/dbraw/zinc/19/45/52/411194552.db2.gz HBCIKUHSLNGQOH-GXSJLCMTSA-N 1 0 249.314 0.947 10 0 BCAERO CC[C@@H]1CN(C(C)=O)CC[C@H]1[NH2+]C[C@H](C)O ZINC000310036816 411195791 /nfs/dbraw/zinc/19/57/91/411195791.db2.gz UPGBEQMOJBNCKQ-MVWJERBFSA-N 1 0 228.336 0.604 10 0 BCAERO CC[C@@H]1CN(C(C)=O)CC[C@H]1[NH2+]C[C@@H](C)O ZINC000310036818 411196020 /nfs/dbraw/zinc/19/60/20/411196020.db2.gz UPGBEQMOJBNCKQ-YUSALJHKSA-N 1 0 228.336 0.604 10 0 BCAERO c1cn2c(n1)CN(C[C@@H]1CC[NH2+]C1)CC2 ZINC000062252224 411197768 /nfs/dbraw/zinc/19/77/68/411197768.db2.gz LVENFXPZQTXYBR-SNVBAGLBSA-N 1 0 206.293 0.308 10 0 BCAERO COCCCCNC(=O)C[C@@H]([NH3+])C(C)C ZINC000129016565 411202817 /nfs/dbraw/zinc/20/28/17/411202817.db2.gz NXWABQGRVAAHIB-SNVBAGLBSA-N 1 0 216.325 0.903 10 0 BCAERO COC[C@@H](C)CNC(=O)C[C@@H]([NH3+])C(C)C ZINC000129024413 411207864 /nfs/dbraw/zinc/20/78/64/411207864.db2.gz HKRRBRSBEKVWHF-VHSXEESVSA-N 1 0 216.325 0.759 10 0 BCAERO O=C(C[C@H]1COCC[NH2+]1)NCC[C@@H]1CCCO1 ZINC000129052835 411215920 /nfs/dbraw/zinc/21/59/20/411215920.db2.gz IWLWVGMUBRUSBA-QWRGUYRKSA-N 1 0 242.319 0.050 10 0 BCAERO O=C1NCC[C@H]1[NH2+][C@@H]1CCCc2cccnc21 ZINC000658053626 411220776 /nfs/dbraw/zinc/22/07/76/411220776.db2.gz XQYWMQRNDOSVNS-GHMZBOCLSA-N 1 0 231.299 0.937 10 0 BCAERO COCC[C@@H](C)NC(=O)C[C@H]([NH3+])C(C)C ZINC000129096428 411224168 /nfs/dbraw/zinc/22/41/68/411224168.db2.gz ONSQHMJZJYXFBF-ZJUUUORDSA-N 1 0 216.325 0.901 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)NCC[C@H](C)O ZINC000129099221 411225461 /nfs/dbraw/zinc/22/54/61/411225461.db2.gz RHAJJTWQOMNFLK-DTWKUNHWSA-N 1 0 202.298 0.247 10 0 BCAERO COc1cc(C[NH2+][C@@H]2CCC(=O)N[C@H]2C)on1 ZINC000660478064 411231336 /nfs/dbraw/zinc/23/13/36/411231336.db2.gz MIPZLDXABLADGA-IONNQARKSA-N 1 0 239.275 0.440 10 0 BCAERO CC(C)[C@@H]([NH3+])CC(=O)N1C[C@H]2CC[C@@H](C1)O2 ZINC000129123861 411231720 /nfs/dbraw/zinc/23/17/20/411231720.db2.gz QSYUARXIKRLAMM-AXFHLTTASA-N 1 0 226.320 0.750 10 0 BCAERO CCn1nc(C)cc1C(=O)N1CC[C@@H]([NH3+])[C@@H]1C ZINC000310291577 411232546 /nfs/dbraw/zinc/23/25/46/411232546.db2.gz NUPOEXOFWXUWPJ-VHSXEESVSA-N 1 0 236.319 0.773 10 0 BCAERO CC[N@H+](C)C[C@H](O)CN[C@@H](C)c1ncc(C)o1 ZINC000310335571 411233711 /nfs/dbraw/zinc/23/37/11/411233711.db2.gz CNYYBZJRMVWJKB-WDEREUQCSA-N 1 0 241.335 0.946 10 0 BCAERO CC[N@H+](C)C[C@@H](O)CN[C@@H](C)c1ncc(C)o1 ZINC000310335570 411233822 /nfs/dbraw/zinc/23/38/22/411233822.db2.gz CNYYBZJRMVWJKB-QWRGUYRKSA-N 1 0 241.335 0.946 10 0 BCAERO c1nc2ncnc(NCC[NH2+]C3CC3)c2[nH]1 ZINC000054267799 411263675 /nfs/dbraw/zinc/26/36/75/411263675.db2.gz ORAQHLQORKPBQV-UHFFFAOYSA-N 1 0 218.264 0.517 10 0 BCAERO C[C@@H]1SCC[C@H]1NC(=O)C1([NH3+])CCOCC1 ZINC000309837922 411267921 /nfs/dbraw/zinc/26/79/21/411267921.db2.gz MVLPETQPXHPYCM-DTWKUNHWSA-N 1 0 244.360 0.505 10 0 BCAERO CCOCCCNC(=O)C[C@@H]([NH3+])C(C)C ZINC000128873121 411268063 /nfs/dbraw/zinc/26/80/63/411268063.db2.gz QYKOJPMDUZVFOZ-SNVBAGLBSA-N 1 0 216.325 0.903 10 0 BCAERO CC/C=C1\SC(=O)N(CC[NH3+])C1=O ZINC000058582678 167857358 /nfs/dbraw/zinc/85/73/58/167857358.db2.gz BXKGWVOBCAQCAW-UTCJRWHESA-N 1 0 200.263 0.934 10 0 BCAERO COC[C@H](C)C(=O)N1CC[NH2+]C[C@H]1C ZINC000124893169 411328863 /nfs/dbraw/zinc/32/88/63/411328863.db2.gz CIXYXFXECYGKLY-DTWKUNHWSA-N 1 0 200.282 0.089 10 0 BCAERO C[C@]1(C(=O)NCC[C@H]2CCCO2)CC[NH2+]C1 ZINC000062897052 411328927 /nfs/dbraw/zinc/32/89/27/411328927.db2.gz HFFSYMAZXYIBLP-PWSUYJOCSA-N 1 0 226.320 0.671 10 0 BCAERO Nc1ccc([C@@H]2CCCN2CC[NH3+])cn1 ZINC000616607661 411287248 /nfs/dbraw/zinc/28/72/48/411287248.db2.gz KUYQRNLIMAUYGA-JTQLQIEISA-N 1 0 206.293 0.759 10 0 BCAERO C[C@H]1[NH2+]CCC[C@H]1C(=O)Nc1cncnc1 ZINC000384529155 411294735 /nfs/dbraw/zinc/29/47/35/411294735.db2.gz JSACTNQIDIBASB-PSASIEDQSA-N 1 0 220.276 0.803 10 0 BCAERO C[C@@H]([NH2+]C1CC(CO)C1)c1nccn1C ZINC000658357179 411303375 /nfs/dbraw/zinc/30/33/75/411303375.db2.gz SPXDGUNVFGHRBR-XNWIYYODSA-N 1 0 209.293 0.842 10 0 BCAERO CN1C[C@H](C[NH2+]C2CCC(O)CC2)CC1=O ZINC000658238317 411307033 /nfs/dbraw/zinc/30/70/33/411307033.db2.gz GKXRHOOAKSFZPS-WHXUTIOJSA-N 1 0 226.320 0.358 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N(C)Cc1nc(C)no1 ZINC000655526641 411307210 /nfs/dbraw/zinc/30/72/10/411307210.db2.gz DBFCYMQJORTCOC-QMMMGPOBSA-N 1 0 226.280 0.464 10 0 BCAERO CN(CC(C)(C)[NH3+])c1ncnc2nc[nH]c21 ZINC000656609355 411307946 /nfs/dbraw/zinc/30/79/46/411307946.db2.gz NHTNFBWWYCAELL-UHFFFAOYSA-N 1 0 220.280 0.526 10 0 BCAERO Cc1nnc2c(N3CC4CC3(C[NH3+])C4)nccn12 ZINC000656611138 411309432 /nfs/dbraw/zinc/30/94/32/411309432.db2.gz WSLCJIKTNGEHTJ-UHFFFAOYSA-N 1 0 244.302 0.360 10 0 BCAERO [NH3+]CC12CC(C1)CN2c1ccc2nncn2n1 ZINC000656611728 411309704 /nfs/dbraw/zinc/30/97/04/411309704.db2.gz IEVGOKNZXFUVCS-UHFFFAOYSA-N 1 0 230.275 0.052 10 0 BCAERO Cc1nsc(N2CC3CC2(C[NH3+])C3)n1 ZINC000656611183 411309714 /nfs/dbraw/zinc/30/97/14/411309714.db2.gz ZSGCBMAWTFSUGV-UHFFFAOYSA-N 1 0 210.306 0.774 10 0 BCAERO Cc1nnc(N2CC3CC2(C[NH3+])C3)nc1C ZINC000656611150 411310085 /nfs/dbraw/zinc/31/00/85/411310085.db2.gz XONJEZIGRLYDOZ-UHFFFAOYSA-N 1 0 219.292 0.416 10 0 BCAERO C[N@H+](C[C@H]1CCC[C@H]1O)[C@@H]1CCC[C@H]1O ZINC000656698072 411322295 /nfs/dbraw/zinc/32/22/95/411322295.db2.gz OTXRDRCVVCOBHA-DDHJBXDOSA-N 1 0 213.321 0.993 10 0 BCAERO [NH3+]Cc1cn(CCOCC(F)(F)F)nn1 ZINC000050224668 411254083 /nfs/dbraw/zinc/25/40/83/411254083.db2.gz VBADFRRGHCFPJB-UHFFFAOYSA-N 1 0 224.186 0.316 10 0 BCAERO Cc1cccc(NC(=O)Cn2cc(C[NH3+])nn2)c1 ZINC000050224596 411254374 /nfs/dbraw/zinc/25/43/74/411254374.db2.gz FGIDQIYBGWHBQC-UHFFFAOYSA-N 1 0 245.286 0.684 10 0 BCAERO COC[C@@H](C)NC(=O)C[C@@H]([NH3+])C(C)C ZINC000128859542 411254718 /nfs/dbraw/zinc/25/47/18/411254718.db2.gz HXVZTZYJXPCMLN-RKDXNWHRSA-N 1 0 202.298 0.511 10 0 BCAERO C[C@H](C(=O)NC(C)(C)C)n1cc(C[NH3+])nn1 ZINC000050224633 411255029 /nfs/dbraw/zinc/25/50/29/411255029.db2.gz XBEQKPBULLWFKE-SSDOTTSWSA-N 1 0 225.296 0.213 10 0 BCAERO Cc1ccc(NC(=O)Cn2cc(C[NH3+])nn2)cc1 ZINC000050224594 411255066 /nfs/dbraw/zinc/25/50/66/411255066.db2.gz FGOVCHVWOYBYAG-UHFFFAOYSA-N 1 0 245.286 0.684 10 0 BCAERO CC(C)(O)C[NH2+]CCO[C@H]1CC1(F)F ZINC000656683694 411326676 /nfs/dbraw/zinc/32/66/76/411326676.db2.gz OQODVWRLGCFOQH-ZETCQYMHSA-N 1 0 209.236 0.771 10 0 BCAERO CN(Cc1cn[nH]c1)C(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000070230195 411257215 /nfs/dbraw/zinc/25/72/15/411257215.db2.gz STJUQONTAPCMTG-QWRGUYRKSA-N 1 0 236.319 0.886 10 0 BCAERO Cc1noc(CC[NH2+]C[C@@H](O)C(C)(C)C)n1 ZINC000304207299 411353802 /nfs/dbraw/zinc/35/38/02/411353802.db2.gz DFGAXZUEANQWIH-SECBINFHSA-N 1 0 227.308 0.917 10 0 BCAERO CC(C)(C)[C@@H](O)C[NH2+]CC1(O)CCOCC1 ZINC000304238347 411355123 /nfs/dbraw/zinc/35/51/23/411355123.db2.gz NAYLTZVLUGLHEH-JTQLQIEISA-N 1 0 231.336 0.525 10 0 BCAERO CC[C@@H]1CN(C(=O)[C@@H]2C[NH2+]C[C@H]2C)[C@@H](C)CO1 ZINC000403826374 411361164 /nfs/dbraw/zinc/36/11/64/411361164.db2.gz NCNWGLMULGGSDS-WRWGMCAJSA-N 1 0 240.347 0.868 10 0 BCAERO CC[C@@H]1CN(C(=O)[C@@H]2C[NH2+]C[C@H]2C)[C@H](C)CO1 ZINC000403826368 411361398 /nfs/dbraw/zinc/36/13/98/411361398.db2.gz NCNWGLMULGGSDS-DDHJBXDOSA-N 1 0 240.347 0.868 10 0 BCAERO C[C@H](CNC(=O)C1(C[NH3+])CCOCC1)C1CC1 ZINC000125330146 411361904 /nfs/dbraw/zinc/36/19/04/411361904.db2.gz YCUYKKJKVLIZBM-SNVBAGLBSA-N 1 0 240.347 0.904 10 0 BCAERO C[NH+](C)[C@@H]1CCN(Cc2ccnc(N)c2)C1 ZINC000062969401 411334557 /nfs/dbraw/zinc/33/45/57/411334557.db2.gz IMMRZWRHRPULQD-LLVKDONJSA-N 1 0 220.320 0.800 10 0 BCAERO C[NH2+][C@H](C)C(=O)N1C[C@@H](C)S[C@H](C)C1 ZINC000069909677 411343819 /nfs/dbraw/zinc/34/38/19/411343819.db2.gz GNXMAYUTRLAUKK-IWSPIJDZSA-N 1 0 216.350 0.947 10 0 BCAERO [NH3+]Cc1cn(CCc2cccnc2)nn1 ZINC000063224192 411348696 /nfs/dbraw/zinc/34/86/96/411348696.db2.gz PKTOBOXWXVLMNC-UHFFFAOYSA-N 1 0 203.249 0.375 10 0 BCAERO CC1(NC(=O)[C@@H]2C[C@H](O)C[NH2+]2)CCCC1 ZINC000042188038 168057800 /nfs/dbraw/zinc/05/78/00/168057800.db2.gz PCUXTMOHYLESBK-IUCAKERBSA-N 1 0 212.293 0.158 10 0 BCAERO CC1=CC(=O)N([C@@H]2CCCC[C@@H]2[NH3+])C1=O ZINC000041054492 168092248 /nfs/dbraw/zinc/09/22/48/168092248.db2.gz HEPBKYHZCDMJEC-DTWKUNHWSA-N 1 0 208.261 0.571 10 0 BCAERO CC1=CC(=O)N([C@H](C)[C@H]2CCC[NH2+]C2)C1=O ZINC000050164329 168092629 /nfs/dbraw/zinc/09/26/29/168092629.db2.gz YFTGTOFDXDICNB-ZJUUUORDSA-N 1 0 222.288 0.690 10 0 BCAERO CC1=CC(=O)N([C@H](C)[C@@H]2CCC[NH2+]C2)C1=O ZINC000050164325 168092798 /nfs/dbraw/zinc/09/27/98/168092798.db2.gz YFTGTOFDXDICNB-NXEZZACHSA-N 1 0 222.288 0.690 10 0 BCAERO CC1CC(=O)N(C[C@@H]2CCC[NH2+]C2)C(=O)C1 ZINC000061828860 168139399 /nfs/dbraw/zinc/13/93/99/168139399.db2.gz DXWHVTXUWKXXGQ-SNVBAGLBSA-N 1 0 224.304 0.771 10 0 BCAERO CC1CCC(C(N)=O)(N2CCC[NH2+]CC2)CC1 ZINC000038000711 168149847 /nfs/dbraw/zinc/14/98/47/168149847.db2.gz GMLJDYQDAUIQFH-UHFFFAOYSA-N 1 0 239.363 0.716 10 0 BCAERO C[C@@H]([NH3+])CC(=O)NC1(CO)CCC(C)CC1 ZINC000053127438 168156087 /nfs/dbraw/zinc/15/60/87/168156087.db2.gz FXFWEHSPDHXVAU-SQLBVSGCSA-N 1 0 228.336 0.781 10 0 BCAERO CC1CCC(CO)([NH2+][C@@H]2COC[C@H]2O)CC1 ZINC000053118096 168156218 /nfs/dbraw/zinc/15/62/18/168156218.db2.gz MZKPIRBKTNJKJM-BFUDSRACSA-N 1 0 229.320 0.277 10 0 BCAERO C[C@@H]([NH3+])C(=O)NC1(CO)CCC(C)CC1 ZINC000053127314 168157036 /nfs/dbraw/zinc/15/70/36/168157036.db2.gz JEOFRXURZVZCBJ-INWMGODYSA-N 1 0 214.309 0.391 10 0 BCAERO C[C@H]([NH2+]C1CCC(C)CC1)C(=O)NC(N)=O ZINC000020309503 168164644 /nfs/dbraw/zinc/16/46/44/168164644.db2.gz REIGYXWLXCCVNA-MGURRDGZSA-N 1 0 227.308 0.738 10 0 BCAERO CC1CCN(C(=O)CN2CCC[C@H]2C[NH3+])CC1 ZINC000123407303 168171760 /nfs/dbraw/zinc/17/17/60/168171760.db2.gz FHGPBAPHFPRORA-LBPRGKRZSA-N 1 0 239.363 0.668 10 0 BCAERO CC1CC[NH+](CC[C@H](NC2CC2)C(N)=O)CC1 ZINC000062439795 168182807 /nfs/dbraw/zinc/18/28/07/168182807.db2.gz MEZWCUHZTOLWNA-LBPRGKRZSA-N 1 0 239.363 0.714 10 0 BCAERO Cc1c(C[NH2+]CC[C@]2(O)CCOC2)cnn1C ZINC000404232635 411385108 /nfs/dbraw/zinc/38/51/08/411385108.db2.gz QGWKSRYQSHYLQD-LBPRGKRZSA-N 1 0 239.319 0.360 10 0 BCAERO CC1(CNC(=O)C2([NH3+])CC3(CCC3)C2)COC1 ZINC000659265620 411385146 /nfs/dbraw/zinc/38/51/46/411385146.db2.gz MJNNQRPYKXSHBE-UHFFFAOYSA-N 1 0 238.331 0.801 10 0 BCAERO COCC[C@H](C)[N@@H+]1CC[C@H]2OCCN[C@H]2C1 ZINC000404273794 411387465 /nfs/dbraw/zinc/38/74/65/411387465.db2.gz RGXFXESXGXQDMZ-SDDRHHMPSA-N 1 0 228.336 0.474 10 0 BCAERO CCC(C)(C)NC(=O)CN(C)C[C@H]([NH3+])COC ZINC000104317084 168290789 /nfs/dbraw/zinc/29/07/89/168290789.db2.gz IHUPYEDRLYUTFC-JTQLQIEISA-N 1 0 245.367 0.197 10 0 BCAERO CCC(C)(C)NC(=O)[C@@H](C)[NH2+][C@H](C)C(=O)NC ZINC000042563034 168294441 /nfs/dbraw/zinc/29/44/41/168294441.db2.gz YMBSHZDCJSSETB-RKDXNWHRSA-N 1 0 243.351 0.404 10 0 BCAERO CCC(C)(C)NC(=O)[C@H](C)[NH2+][C@@H](C)C(=O)NC ZINC000042563032 168294937 /nfs/dbraw/zinc/29/49/37/168294937.db2.gz YMBSHZDCJSSETB-IUCAKERBSA-N 1 0 243.351 0.404 10 0 BCAERO CCC(C)(C)NC(=O)[C@H](C)n1cc(C[NH3+])nn1 ZINC000050224685 168295018 /nfs/dbraw/zinc/29/50/18/168295018.db2.gz KBRWLIXQDCGNJW-QMMMGPOBSA-N 1 0 239.323 0.603 10 0 BCAERO CC(C)([NH3+])CCC(=O)N[C@@H]1CCC[C@H](O)C1 ZINC000069633746 411457842 /nfs/dbraw/zinc/45/78/42/411457842.db2.gz OGHJSZXBMVPGBD-ZJUUUORDSA-N 1 0 228.336 0.924 10 0 BCAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC000659315594 411393063 /nfs/dbraw/zinc/39/30/63/411393063.db2.gz SAWILUNTVPOHGR-SAVGLBRCSA-N 1 0 208.305 0.981 10 0 BCAERO CC[C@H](C)CCNC(=O)[C@H]1C[C@@H](OC)C[NH2+]1 ZINC000659339816 411398513 /nfs/dbraw/zinc/39/85/13/411398513.db2.gz DAFSOLIQIBCXKZ-HBNTYKKESA-N 1 0 228.336 0.916 10 0 BCAERO COCC1(N(C)C(=O)[C@H]2CCC[C@H]2C[NH3+])CC1 ZINC000659338987 411398531 /nfs/dbraw/zinc/39/85/31/411398531.db2.gz SSSKIWFLAMPMML-QWRGUYRKSA-N 1 0 240.347 0.999 10 0 BCAERO COCC1(N(C)C(=O)[C@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000659338986 411399029 /nfs/dbraw/zinc/39/90/29/411399029.db2.gz SSSKIWFLAMPMML-MNOVXSKESA-N 1 0 240.347 0.999 10 0 BCAERO CO[C@@H](C)CNC(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000659345316 411401030 /nfs/dbraw/zinc/40/10/30/411401030.db2.gz HQBOPINPMCNZLZ-GUBZILKMSA-N 1 0 214.309 0.655 10 0 BCAERO CO[C@@H](C)CNC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000659344671 411401111 /nfs/dbraw/zinc/40/11/11/411401111.db2.gz CAUVATWHMSVIPD-YIZRAAEISA-N 1 0 200.282 0.265 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)NCCc1ccoc1 ZINC000659361026 411403402 /nfs/dbraw/zinc/40/34/02/411403402.db2.gz MAVZTZKKLVKDDS-MWLCHTKSSA-N 1 0 222.288 0.794 10 0 BCAERO CCN(CCO)C(=O)[C@H]1CC[C@H](C)[NH2+]C1 ZINC000037900481 169850744 /nfs/dbraw/zinc/85/07/44/169850744.db2.gz OIZPOIXBOADWCX-UWVGGRQHSA-N 1 0 214.309 0.215 10 0 BCAERO CO[C@H](CNC(=O)[C@@H]1CC[NH2+]C1)C1CCCC1 ZINC000659384858 411408727 /nfs/dbraw/zinc/40/87/27/411408727.db2.gz ZNWOSMYXSKNENK-VXGBXAGGSA-N 1 0 240.347 0.917 10 0 BCAERO C[C@@]1(CNC(=O)C[C@@H]2CCC[NH2+]C2)CCOC1 ZINC000397224061 411409988 /nfs/dbraw/zinc/40/99/88/411409988.db2.gz MCMMUDPPIIPGGF-AAEUAGOBSA-N 1 0 240.347 0.919 10 0 BCAERO COC[C@H](C)C(=O)N1CC[NH2+]C[C@@H]1C ZINC000126008376 411412051 /nfs/dbraw/zinc/41/20/51/411412051.db2.gz CIXYXFXECYGKLY-IUCAKERBSA-N 1 0 200.282 0.089 10 0 BCAERO CCO[C@@H]1CN(c2nccnc2C)C[C@H]1C[NH3+] ZINC000405553057 411434473 /nfs/dbraw/zinc/43/44/73/411434473.db2.gz ZSGAWTNDLIHRGH-GHMZBOCLSA-N 1 0 236.319 0.585 10 0 BCAERO COC[C@@H](O)C[NH2+]CC[C@@H]1CCCO1 ZINC000068891794 411438156 /nfs/dbraw/zinc/43/81/56/411438156.db2.gz XCTOSNZVPDUFJN-UWVGGRQHSA-N 1 0 203.282 0.152 10 0 BCAERO CCN(C[C@H]1CCOC1)C(=O)[C@@H]1CC[NH2+]C1 ZINC000062115383 169899196 /nfs/dbraw/zinc/89/91/96/169899196.db2.gz SSJNKYNTNLNZHZ-GHMZBOCLSA-N 1 0 226.320 0.481 10 0 BCAERO C[C@]1(C(=O)NCC[C@@H]2CCCO2)CCC[NH2+]1 ZINC000070618981 411441261 /nfs/dbraw/zinc/44/12/61/411441261.db2.gz LEUVWFJAWVTEBQ-CMPLNLGQSA-N 1 0 226.320 0.814 10 0 BCAERO C[C@@H](NC(=O)CCC1C[NH2+]C1)[C@@H]1CCCO1 ZINC000637930090 411447359 /nfs/dbraw/zinc/44/73/59/411447359.db2.gz SQHBUSDJTQNLFW-KOLCDFICSA-N 1 0 226.320 0.670 10 0 BCAERO [NH3+][C@@H]1CCC[C@H](C(=O)N[C@@H]2CCC[C@H](O)C2)C1 ZINC000070574417 411448062 /nfs/dbraw/zinc/44/80/62/411448062.db2.gz ADGCHWVWYSPGNK-QCNOEVLYSA-N 1 0 240.347 0.924 10 0 BCAERO CC[C@H](C)[C@@H]([NH3+])C(=O)NCCCn1ccnn1 ZINC000131252795 411449152 /nfs/dbraw/zinc/44/91/52/411449152.db2.gz CBNJTKWSHOKCIB-VHSXEESVSA-N 1 0 239.323 0.158 10 0 BCAERO O=C(CC[NH2+]C1CC1)N[C@H]1CCCOC1 ZINC000071023721 411449291 /nfs/dbraw/zinc/44/92/91/411449291.db2.gz NDGVANRMRGCFHM-JTQLQIEISA-N 1 0 212.293 0.424 10 0 BCAERO CC(C)[C@@H]([NH3+])CC(=O)NCCCn1ccnn1 ZINC000127109623 411470468 /nfs/dbraw/zinc/47/04/68/411470468.db2.gz QRJYBVPOVVAAFS-JTQLQIEISA-N 1 0 239.323 0.158 10 0 BCAERO CC[C@@H]1C[C@H]([NH2+]C2CCN(CCO)CC2)CO1 ZINC000657352979 411473985 /nfs/dbraw/zinc/47/39/85/411473985.db2.gz XOYQYLLKZCTOGE-QWHCGFSZSA-N 1 0 242.363 0.600 10 0 BCAERO CC[C@@H]1C[C@H]([NH2+]C[C@@H]2CN(CC)CCO2)CO1 ZINC000657354200 411474268 /nfs/dbraw/zinc/47/42/68/411474268.db2.gz ZSAKCHPZUJLHKZ-YNEHKIRRSA-N 1 0 242.363 0.864 10 0 BCAERO C[C@H](O)CC[NH2+]C[C@H](O)CC(F)(F)F ZINC000307949846 411489986 /nfs/dbraw/zinc/48/99/86/411489986.db2.gz QYSUGGIJJOIOFU-NKWVEPMBSA-N 1 0 215.215 0.660 10 0 BCAERO CCN1CCC([NH2+]CCCS(C)(=O)=O)CC1 ZINC000038047029 169954139 /nfs/dbraw/zinc/95/41/39/169954139.db2.gz QQUOTYRYXOHCKX-UHFFFAOYSA-N 1 0 248.392 0.495 10 0 BCAERO Cc1ncc(C[NH2+][C@H]2CCO[C@H]2C)n1C ZINC000657422273 411502609 /nfs/dbraw/zinc/50/26/09/411502609.db2.gz VJIMIAPVLSQSER-KWQFWETISA-N 1 0 209.293 0.996 10 0 BCAERO C[C@@H]1CN(C(=O)[C@@H]2CCCS2)C[C@@H]1C[NH3+] ZINC000638916548 411514409 /nfs/dbraw/zinc/51/44/09/411514409.db2.gz SJVZRZCXFAPQLT-UTLUCORTSA-N 1 0 228.361 0.935 10 0 BCAERO CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H](C)COC)C1 ZINC000103534568 170008081 /nfs/dbraw/zinc/00/80/81/170008081.db2.gz LGFLSFQWWQZJKY-QWRGUYRKSA-N 1 0 228.336 0.727 10 0 BCAERO CCN1CC[C@H]([NH2+][C@H](C)Cn2cccn2)C1 ZINC000328209625 170023135 /nfs/dbraw/zinc/02/31/35/170023135.db2.gz UZBREHLBGKEYNO-NEPJUHHUSA-N 1 0 222.336 0.955 10 0 BCAERO CC[N@@H+]1CCc2ncc(N)nc2C[C@H]1C ZINC000039101074 170025048 /nfs/dbraw/zinc/02/50/48/170025048.db2.gz XTLDINFSSGWHDY-MRVPVSSYSA-N 1 0 206.293 0.868 10 0 BCAERO CCN1C[C@H]([NH2+][C@@H](C)CC(N)=O)[C@@H](C)C1 ZINC000336768879 170037589 /nfs/dbraw/zinc/03/75/89/170037589.db2.gz UOPOMGXNJJWDLX-GUBZILKMSA-N 1 0 213.325 0.180 10 0 BCAERO CCNC(=O)CN(CC)C(=O)C[NH2+][C@H](C)CC ZINC000037495126 170056371 /nfs/dbraw/zinc/05/63/71/170056371.db2.gz QVKXFEYPMXDBKF-SNVBAGLBSA-N 1 0 243.351 0.359 10 0 BCAERO CCNC(=O)CN(CC)C(=O)C[C@@H]1CCC[NH2+]1 ZINC000042295149 170056506 /nfs/dbraw/zinc/05/65/06/170056506.db2.gz YDVUOHVOAPWVOO-JTQLQIEISA-N 1 0 241.335 0.113 10 0 BCAERO Cc1cnccc1C[NH2+][C@@H]1CCNC1=O ZINC000657524947 411542650 /nfs/dbraw/zinc/54/26/50/411542650.db2.gz VRENJIFBBVSUSG-SNVBAGLBSA-N 1 0 205.261 0.368 10 0 BCAERO CCNC(=O)CN1CCCC[C@H]1[C@H](C)[NH2+]CC ZINC000104426446 170059033 /nfs/dbraw/zinc/05/90/33/170059033.db2.gz XFQQGPBEAXTYMR-RYUDHWBXSA-N 1 0 241.379 0.975 10 0 BCAERO CCNC(=O)CNC(=O)C[C@H]1CCC[C@@H]([NH3+])C1 ZINC000055125784 170061888 /nfs/dbraw/zinc/06/18/88/170061888.db2.gz BETGBBNBIRVPQC-VHSXEESVSA-N 1 0 241.335 0.146 10 0 BCAERO CCNC(=O)CNC(=O)[C@@H]1CCC[C@@H]([NH3+])[C@@H]1C ZINC000055125762 170063249 /nfs/dbraw/zinc/06/32/49/170063249.db2.gz OEMJFDPBTZFUSR-OPRDCNLKSA-N 1 0 241.335 0.002 10 0 BCAERO CCNC(=O)C[NH2+]CCc1ccccc1 ZINC000020050647 170064133 /nfs/dbraw/zinc/06/41/33/170064133.db2.gz QKWLCQYVIDNDNE-UHFFFAOYSA-N 1 0 206.289 0.955 10 0 BCAERO CCNC(=O)CNCCC[N@@H+]1CCCC[C@H]1C ZINC000020047829 170064135 /nfs/dbraw/zinc/06/41/35/170064135.db2.gz RGWVCZPZAZXCPH-GFCCVEGCSA-N 1 0 241.379 0.977 10 0 BCAERO CCNC(=O)CNCCC[N@@H+]1CCCC[C@@H]1C ZINC000020047826 170064218 /nfs/dbraw/zinc/06/42/18/170064218.db2.gz RGWVCZPZAZXCPH-LBPRGKRZSA-N 1 0 241.379 0.977 10 0 BCAERO CCNC(=O)C[NH2+][C@@H](C)C(=O)N1CCCCC1 ZINC000035133867 170064564 /nfs/dbraw/zinc/06/45/64/170064564.db2.gz WKKYOUWQHHLRKA-JTQLQIEISA-N 1 0 241.335 0.113 10 0 BCAERO CCNC(=O)C[NH2+]CCc1ccc(OC)cc1 ZINC000020044609 170064698 /nfs/dbraw/zinc/06/46/98/170064698.db2.gz XQDOCNJRRWIODX-UHFFFAOYSA-N 1 0 236.315 0.963 10 0 BCAERO CCNC(=O)COc1ccc(OC)cc1C[NH3+] ZINC000037094211 170067664 /nfs/dbraw/zinc/06/76/64/170067664.db2.gz NMCBARBOUGMTIY-UHFFFAOYSA-N 1 0 238.287 0.669 10 0 BCAERO CCNC(=O)C[C@@H]([NH3+])c1ccc2c(c1)OCO2 ZINC000041269418 170069043 /nfs/dbraw/zinc/06/90/43/170069043.db2.gz YISMKFQGFJNPIS-SECBINFHSA-N 1 0 236.271 0.941 10 0 BCAERO CCNC(=O)Cn1c(CC[NH3+])nc2ccccc21 ZINC000104329703 170071016 /nfs/dbraw/zinc/07/10/16/170071016.db2.gz ZQJOVLMNMBBFPM-UHFFFAOYSA-N 1 0 246.314 0.674 10 0 BCAERO CCNC(=O)N1CCCN(CCC[NH3+])CC1 ZINC000037038045 170073248 /nfs/dbraw/zinc/07/32/48/170073248.db2.gz DVMMFGVCHOQTJX-UHFFFAOYSA-N 1 0 228.340 0.072 10 0 BCAERO CCNC(=O)NC(=O)[C@H](C)[NH2+]C1(C(C)C)CC1 ZINC000339509456 170078283 /nfs/dbraw/zinc/07/82/83/170078283.db2.gz RIXKMNQQRDTASR-VIFPVBQESA-N 1 0 241.335 0.999 10 0 BCAERO CCNC(=O)NCc1cccc(C[NH3+])c1 ZINC000036202409 170081263 /nfs/dbraw/zinc/08/12/63/170081263.db2.gz IKHDPWXKAMPYGS-UHFFFAOYSA-N 1 0 207.277 0.964 10 0 BCAERO CCNC(=O)[C@@H](C)Nc1cc[nH+]cc1N ZINC000049193419 170088997 /nfs/dbraw/zinc/08/89/97/170088997.db2.gz NIEYHNIFNUJBRR-SSDOTTSWSA-N 1 0 208.265 0.600 10 0 BCAERO CCNC(=O)[C@@H](C)[NH2+][C@@H]1CN2CCC1CC2 ZINC000020306792 170089115 /nfs/dbraw/zinc/08/91/15/170089115.db2.gz GMDSESJDZAFKOX-MWLCHTKSSA-N 1 0 225.336 0.195 10 0 BCAERO CCNC(=O)[C@@H](C)OC1CC[NH2+]CC1 ZINC000036963134 170089820 /nfs/dbraw/zinc/08/98/20/170089820.db2.gz XWZRPUZRZWIVBX-MRVPVSSYSA-N 1 0 200.282 0.280 10 0 BCAERO CCNC(=O)[C@@H](C)O[C@@H]1CCC[NH2+]C1 ZINC000020422765 170090294 /nfs/dbraw/zinc/09/02/94/170090294.db2.gz PASJTPWLZVAAAK-RKDXNWHRSA-N 1 0 200.282 0.280 10 0 BCAERO CCNC(=O)[C@H](C)NC(=O)[C@@H]1CCC[C@H](C)[NH2+]1 ZINC000049225260 170093532 /nfs/dbraw/zinc/09/35/32/170093532.db2.gz QNNHVFPQQWAELW-GUBZILKMSA-N 1 0 241.335 0.158 10 0 BCAERO CCNC(=O)[C@H](C)NC(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000055087636 170094406 /nfs/dbraw/zinc/09/44/06/170094406.db2.gz UUDZFDNHVXCTAA-GUBZILKMSA-N 1 0 241.335 0.145 10 0 BCAERO CCNC(=O)[C@H](C)[NH2+][C@@H](C)CN1CCCCC1 ZINC000049501584 170094889 /nfs/dbraw/zinc/09/48/89/170094889.db2.gz ROPZOBCKWWUTIE-RYUDHWBXSA-N 1 0 241.379 0.975 10 0 BCAERO CCNC(=O)[C@H](C)O[C@@H]1CCC[NH2+]C1 ZINC000020422766 170096844 /nfs/dbraw/zinc/09/68/44/170096844.db2.gz PASJTPWLZVAAAK-DTWKUNHWSA-N 1 0 200.282 0.280 10 0 BCAERO CCNC(=O)c1cc(N2CC[C@H](C[NH3+])C2)ccn1 ZINC000050249570 170100356 /nfs/dbraw/zinc/10/03/56/170100356.db2.gz UAJYTOOUYPTXIM-SNVBAGLBSA-N 1 0 248.330 0.616 10 0 BCAERO CCNC(=O)c1cc(N2CC[C@H]([NH3+])C2)ccn1 ZINC000050244088 170100424 /nfs/dbraw/zinc/10/04/24/170100424.db2.gz SEIAPNYXRJYWEE-VIFPVBQESA-N 1 0 234.303 0.369 10 0 BCAERO CCNC(=O)c1cc(N[C@H]2CCC[NH2+]C2)ccn1 ZINC000071397699 170101141 /nfs/dbraw/zinc/10/11/41/170101141.db2.gz WLDYRYBSEOAILS-NSHDSACASA-N 1 0 248.330 0.995 10 0 BCAERO CCNC(=O)c1cc(NC[C@H]2CCC[NH2+]2)ccn1 ZINC000053255148 170101218 /nfs/dbraw/zinc/10/12/18/170101218.db2.gz XMUJTCDOAQIROV-LLVKDONJSA-N 1 0 248.330 0.995 10 0 BCAERO CC[NH2+]C(C)(C)C(=O)N(C)C[C@@H](C)C(=O)OC ZINC000061296453 170106030 /nfs/dbraw/zinc/10/60/30/170106030.db2.gz DJWNKHRVVGLESU-SECBINFHSA-N 1 0 244.335 0.642 10 0 BCAERO CC[NH2+]C(C)(C)C(=O)N1CCO[C@H](C)C1 ZINC000061278561 170106536 /nfs/dbraw/zinc/10/65/36/170106536.db2.gz BJWFGLAFKPXBDO-SECBINFHSA-N 1 0 214.309 0.622 10 0 BCAERO CCNC(=S)N[C@@H]1C[NH+]2CCC1CC2 ZINC000135779454 170106610 /nfs/dbraw/zinc/10/66/10/170106610.db2.gz DLNHTXZQZMDTOR-SECBINFHSA-N 1 0 213.350 0.565 10 0 BCAERO CC[NH2+]C(C)(C)C(=O)N1CCC[C@H](CO)C1 ZINC000061289710 170106746 /nfs/dbraw/zinc/10/67/46/170106746.db2.gz LLHGIMZXGRPSLK-JTQLQIEISA-N 1 0 228.336 0.605 10 0 BCAERO CC[NH2+]C(C)(C)c1nnc2ncccn21 ZINC000061151289 170107578 /nfs/dbraw/zinc/10/75/78/170107578.db2.gz LMTURTGVSLTYND-UHFFFAOYSA-N 1 0 205.265 0.969 10 0 BCAERO CC[NH2+]C1CCN(C(=O)NC2CC2)CC1 ZINC000054456679 170108433 /nfs/dbraw/zinc/10/84/33/170108433.db2.gz PQVNYFRWTMGGPI-UHFFFAOYSA-N 1 0 211.309 0.932 10 0 BCAERO CCNC1(C(=O)OC)C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000037446838 170108781 /nfs/dbraw/zinc/10/87/81/170108781.db2.gz HKFCRUFVILFLLH-DHHPTOIESA-N 1 0 226.320 0.764 10 0 BCAERO CC[NH2+]C1CCC(N2CCCS2(=O)=O)CC1 ZINC000036880994 170108927 /nfs/dbraw/zinc/10/89/27/170108927.db2.gz NGGHMZXTHCZJHF-UHFFFAOYSA-N 1 0 246.376 0.943 10 0 BCAERO CC[NH2+]CC(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000044294618 170109178 /nfs/dbraw/zinc/10/91/78/170109178.db2.gz KSUVTCDPWSGPHJ-IUCAKERBSA-N 1 0 200.282 0.232 10 0 BCAERO CC[NH2+]CC(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000044650354 170109738 /nfs/dbraw/zinc/10/97/38/170109738.db2.gz MIALZSYGXKFITM-QWRGUYRKSA-N 1 0 226.320 0.766 10 0 BCAERO CC[NH2+]CCC(=O)N1CCCO[C@@H](C)C1 ZINC000061920146 170111639 /nfs/dbraw/zinc/11/16/39/170111639.db2.gz ZVRUPHOQUFRZQU-JTQLQIEISA-N 1 0 214.309 0.623 10 0 BCAERO CC[NH2+]CCC(=O)NCc1cccc(C(N)=O)c1 ZINC000061298662 170111821 /nfs/dbraw/zinc/11/18/21/170111821.db2.gz JJVJINXFCZDLGX-UHFFFAOYSA-N 1 0 249.314 0.401 10 0 BCAERO CC[NH2+]CCC(=O)N1C[C@@H](C(N)=O)CC[C@H]1C ZINC000061296261 170111852 /nfs/dbraw/zinc/11/18/52/170111852.db2.gz ZJSRVCRXOOSTFJ-ZJUUUORDSA-N 1 0 241.335 0.098 10 0 BCAERO CC[NH2+]CCC(=O)N(CC(N)=O)C1CCCC1 ZINC000061295490 170111882 /nfs/dbraw/zinc/11/18/82/170111882.db2.gz MPXMCKSFJDVTMI-UHFFFAOYSA-N 1 0 241.335 0.243 10 0 BCAERO CC[NH2+]CCNc1ccc(C(=O)OC)nn1 ZINC000054267358 170116423 /nfs/dbraw/zinc/11/64/23/170116423.db2.gz OXBBDYFCOKPHAP-UHFFFAOYSA-N 1 0 224.264 0.285 10 0 BCAERO CC[NH2+]CCc1nnc2nc(C)cc(C)n12 ZINC000051784373 170118034 /nfs/dbraw/zinc/11/80/34/170118034.db2.gz RWNYZQMLMDTBLN-UHFFFAOYSA-N 1 0 219.292 0.893 10 0 BCAERO CC[NH2+]C[C@@H](C)C(=O)N1CCOCC1 ZINC000061226985 170118441 /nfs/dbraw/zinc/11/84/41/170118441.db2.gz AVMGRBHFHUMLJK-SECBINFHSA-N 1 0 200.282 0.091 10 0 BCAERO CC[NH2+]C[C@@H](C)C(=O)N(C)CC(=O)NC(C)C ZINC000061235489 170118466 /nfs/dbraw/zinc/11/84/66/170118466.db2.gz SGIFQCLJCIQPHA-SNVBAGLBSA-N 1 0 243.351 0.215 10 0 BCAERO CC[NH2+]C[C@@H](C)[C@H]1CCS(=O)(=O)C1 ZINC000052950494 170118688 /nfs/dbraw/zinc/11/86/88/170118688.db2.gz VOYJCKCCDNBORN-BDAKNGLRSA-N 1 0 205.323 0.667 10 0 BCAERO CC[NH2+]C[C@H](C)C(=O)N1CCOCC1 ZINC000061226989 170121507 /nfs/dbraw/zinc/12/15/07/170121507.db2.gz AVMGRBHFHUMLJK-VIFPVBQESA-N 1 0 200.282 0.091 10 0 BCAERO CC[NH2+]C[C@H](C)C(=O)N1CCO[C@@H](C)C1 ZINC000061227134 170121744 /nfs/dbraw/zinc/12/17/44/170121744.db2.gz BKWQDVHKJRKOJA-UWVGGRQHSA-N 1 0 214.309 0.479 10 0 BCAERO CC[NH2+]C[C@H](O)COc1ccc(C(N)=O)cc1 ZINC000036951132 170121884 /nfs/dbraw/zinc/12/18/84/170121884.db2.gz WWIODLPRKPLVGN-JTQLQIEISA-N 1 0 238.287 0.135 10 0 BCAERO CC[NH2+]C[C@H](C)C(=O)N1CCOC(C)(C)C1 ZINC000061230253 170122283 /nfs/dbraw/zinc/12/22/83/170122283.db2.gz FMFAKFTVSACICL-JTQLQIEISA-N 1 0 228.336 0.869 10 0 BCAERO CC[NH2+]C[C@H](C)C(=O)N1CCN(C)CC1 ZINC000061227023 170122285 /nfs/dbraw/zinc/12/22/85/170122285.db2.gz SBHCKODPSVPCSR-JTQLQIEISA-N 1 0 213.325 0.006 10 0 BCAERO CC[NH2+]C[C@H]1CCCN1c1ncnc2nc[nH]c21 ZINC000053696415 170122686 /nfs/dbraw/zinc/12/26/86/170122686.db2.gz UTWQAIBKQFVDAU-SECBINFHSA-N 1 0 246.318 0.931 10 0 BCAERO CC[NH2+]C[C@]1(CN2CCCOCC2)CCOC1 ZINC000061934523 170123542 /nfs/dbraw/zinc/12/35/42/170123542.db2.gz FOPGTECCZYWDMT-ZDUSSCGKSA-N 1 0 242.363 0.725 10 0 BCAERO CC[NH2+]Cc1cn(CCn2cnc(C)c2C)nn1 ZINC000052593568 170129184 /nfs/dbraw/zinc/12/91/84/170129184.db2.gz SZFANHHNWCKZCM-UHFFFAOYSA-N 1 0 248.334 0.901 10 0 BCAERO CC[NH2+]Cc1cnn([C@H]2CCS(=O)(=O)C2)c1 ZINC000040932348 170129967 /nfs/dbraw/zinc/12/99/67/170129967.db2.gz WXAWHDRTJHTDGR-JTQLQIEISA-N 1 0 243.332 0.352 10 0 BCAERO CC[NH2+]Cc1cnn([C@@H]2CCS(=O)(=O)C2)c1 ZINC000040932347 170130679 /nfs/dbraw/zinc/13/06/79/170130679.db2.gz WXAWHDRTJHTDGR-SNVBAGLBSA-N 1 0 243.332 0.352 10 0 BCAERO CCNS(=O)(=O)c1ccc(OCC[NH3+])cc1 ZINC000020267906 170136843 /nfs/dbraw/zinc/13/68/43/170136843.db2.gz SWIOQIQTXFEQTG-UHFFFAOYSA-N 1 0 244.316 0.322 10 0 BCAERO CCNS(=O)(=O)c1ccccc1C[NH3+] ZINC000019260051 170137362 /nfs/dbraw/zinc/13/73/62/170137362.db2.gz MAWFMIIEKXNOMY-UHFFFAOYSA-N 1 0 214.290 0.444 10 0 BCAERO CC[NH2+][C@@H](C)CC(=O)N[C@H](C)c1nncn1C ZINC000061270717 170139006 /nfs/dbraw/zinc/13/90/06/170139006.db2.gz MZGJMVQCMUGPKU-DTWKUNHWSA-N 1 0 239.323 0.380 10 0 BCAERO CC[NH2+][C@@H](C)CC(=O)N1CCO[C@H](C)C1 ZINC000061268734 170139009 /nfs/dbraw/zinc/13/90/09/170139009.db2.gz UTRJIWZIPVKTDR-VHSXEESVSA-N 1 0 214.309 0.622 10 0 BCAERO CC[NH2+][C@@H](C)Cn1nc2n(c1=O)CCCC2 ZINC000061817432 170140087 /nfs/dbraw/zinc/14/00/87/170140087.db2.gz KSGYXRSXIIREKX-VIFPVBQESA-N 1 0 224.308 0.379 10 0 BCAERO CC[NH2+][C@@H]1CCN(Cc2ccnc(OC)c2)C1=O ZINC000062073652 170151453 /nfs/dbraw/zinc/15/14/53/170151453.db2.gz AEIHQXKHNCVYRN-LLVKDONJSA-N 1 0 249.314 0.801 10 0 BCAERO CC[NH2+][C@@H]1CCN(Cc2ccncc2)C1=O ZINC000049648606 170151480 /nfs/dbraw/zinc/15/14/80/170151480.db2.gz CKGOVGDQTDFJIT-LLVKDONJSA-N 1 0 219.288 0.792 10 0 BCAERO CC[NH2+][C@@H]1CCOC[C@@H]1N1CCCO[C@H](C)C1 ZINC000061917231 170153120 /nfs/dbraw/zinc/15/31/20/170153120.db2.gz SCBIGBDEYFVEJO-UPJWGTAASA-N 1 0 242.363 0.864 10 0 BCAERO CCN[C@@](C)(CC[N@H+](C)CC1CCC1)C(N)=O ZINC000061483155 170154818 /nfs/dbraw/zinc/15/48/18/170154818.db2.gz GNWJWPUADIAKLS-ZDUSSCGKSA-N 1 0 241.379 0.962 10 0 BCAERO CC[NH2+][C@H](C(N)=O)c1ccc(OC)c(O)c1 ZINC000037869599 170155666 /nfs/dbraw/zinc/15/56/66/170155666.db2.gz ASHSRDAEWDAPOC-JTQLQIEISA-N 1 0 224.260 0.537 10 0 BCAERO CC[NH2+][C@H](C)Cn1nc2n(c1=O)CCCC2 ZINC000061817433 170158500 /nfs/dbraw/zinc/15/85/00/170158500.db2.gz KSGYXRSXIIREKX-SECBINFHSA-N 1 0 224.308 0.379 10 0 BCAERO CC[NH2+][C@H](C)Cc1nnc2ccc(C)nn21 ZINC000061212809 170158644 /nfs/dbraw/zinc/15/86/44/170158644.db2.gz WINBNFXGJQCNNX-SECBINFHSA-N 1 0 219.292 0.973 10 0 BCAERO CC[NH2+][C@H](CC)[C@@H]1CCS(=O)(=O)C1 ZINC000043300854 170160829 /nfs/dbraw/zinc/16/08/29/170160829.db2.gz CIRBBQWMGHIWPV-RKDXNWHRSA-N 1 0 205.323 0.809 10 0 BCAERO CC[NH2+][C@H](CC)Cn1nc2n(c1=O)CCCC2 ZINC000061817466 170160866 /nfs/dbraw/zinc/16/08/66/170160866.db2.gz VUCUDQICMORZJU-SNVBAGLBSA-N 1 0 238.335 0.769 10 0 BCAERO CC[NH2+][C@H]1CCN(C[C@@H]2CCCO2)C1=O ZINC000049647100 170167534 /nfs/dbraw/zinc/16/75/34/170167534.db2.gz ITDOTZSEVNGPIA-UWVGGRQHSA-N 1 0 212.293 0.376 10 0 BCAERO CC[NH2+][C@H]1CCN(CCc2ccccn2)C1=O ZINC000049648575 170168349 /nfs/dbraw/zinc/16/83/49/170168349.db2.gz AVBFMVSIBYQFER-LBPRGKRZSA-N 1 0 233.315 0.835 10 0 BCAERO CC[NH2+][C@H]1CCN(c2cccnc2)C1=O ZINC000049647140 170168595 /nfs/dbraw/zinc/16/85/95/170168595.db2.gz VSZFWSKVTGAMOB-JTQLQIEISA-N 1 0 205.261 0.796 10 0 BCAERO CC[NH2+][C@H]1CCOC[C@@H]1n1nc(C)nc1C ZINC000044034599 170169117 /nfs/dbraw/zinc/16/91/17/170169117.db2.gz QUYRYFDWMVSSEF-QWRGUYRKSA-N 1 0 224.308 0.834 10 0 BCAERO CCN[C@](C)(CC[N@H+](C)CC1CCC1)C(N)=O ZINC000061483157 170170601 /nfs/dbraw/zinc/17/06/01/170170601.db2.gz GNWJWPUADIAKLS-CYBMUJFWSA-N 1 0 241.379 0.962 10 0 BCAERO CCOC(=O)C(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000049503179 170184297 /nfs/dbraw/zinc/18/42/97/170184297.db2.gz DCEUBECCXGQKGG-SNVBAGLBSA-N 1 0 242.319 0.540 10 0 BCAERO CCOC(=O)CC[N@H+](C)[C@@H](C)C(=O)NC ZINC000050067341 170204536 /nfs/dbraw/zinc/20/45/36/170204536.db2.gz QXOCAQXDRSMEII-QMMMGPOBSA-N 1 0 216.281 0.006 10 0 BCAERO CCOC(=O)CC[N@@H+]1C[C@@H](OC)C[C@@H]1CO ZINC000344734784 170207497 /nfs/dbraw/zinc/20/74/97/170207497.db2.gz XLTJHVKUYVRJGP-ZJUUUORDSA-N 1 0 231.292 0.021 10 0 BCAERO CCOC(=O)CC[NH2+]Cc1ccnc(C)n1 ZINC000038037890 170208988 /nfs/dbraw/zinc/20/89/88/170208988.db2.gz FZPGSOJNLNSGIA-UHFFFAOYSA-N 1 0 223.276 0.828 10 0 BCAERO CCOC(=O)CN(C(=O)CCC[NH2+]C)C(C)C ZINC000038101232 170212110 /nfs/dbraw/zinc/21/21/10/170212110.db2.gz PAGWLUQZLJGILU-UHFFFAOYSA-N 1 0 244.335 0.786 10 0 BCAERO CCOC(=O)CN1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000082699507 170221058 /nfs/dbraw/zinc/22/10/58/170221058.db2.gz BGKLPLRCWSNQOC-QWRGUYRKSA-N 1 0 226.320 0.718 10 0 BCAERO CCOC(=O)CNCC[NH+](CC)CC ZINC000019365116 170225717 /nfs/dbraw/zinc/22/57/17/170225717.db2.gz QSYQPIDFQUFGHC-UHFFFAOYSA-N 1 0 202.298 0.481 10 0 BCAERO CCOC(=O)[C@@H](C(C)C)N1CC[NH2+]CC1 ZINC000026481217 170245095 /nfs/dbraw/zinc/24/50/95/170245095.db2.gz XZKJWNMCCBEWAW-SNVBAGLBSA-N 1 0 214.309 0.479 10 0 BCAERO CCOC(=O)[C@@H](N)C[N@H+](C)CC(C)C ZINC000045380708 170252460 /nfs/dbraw/zinc/25/24/60/170252460.db2.gz QMAVQLVXDOZABT-VIFPVBQESA-N 1 0 202.298 0.465 10 0 BCAERO CCOC(=O)[C@@H]1CCSCCC(N)=[NH+]1 ZINC000026578279 170259401 /nfs/dbraw/zinc/25/94/01/170259401.db2.gz BERGFKRGXBHFND-ZETCQYMHSA-N 1 0 216.306 0.802 10 0 BCAERO CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+][C@H](C)[C@H]1C[C@@H]1C ZINC000657607578 411561021 /nfs/dbraw/zinc/56/10/21/411561021.db2.gz ZLSYCBUZPDSGGV-HPENLJRUSA-N 1 0 247.360 0.433 10 0 BCAERO CCOC(=O)[C@H](N)CC[N@H+](C)C1CC1 ZINC000062445814 170273609 /nfs/dbraw/zinc/27/36/09/170273609.db2.gz AFLLNCDPGDCVKP-SECBINFHSA-N 1 0 200.282 0.361 10 0 BCAERO CCOC(=O)[C@H](N)CC[N@@H+]1CC[C@H](C)C1 ZINC000062454169 170274273 /nfs/dbraw/zinc/27/42/73/170274273.db2.gz WFFLELUKGSLUQY-VHSXEESVSA-N 1 0 214.309 0.609 10 0 BCAERO CCOC(=O)[C@](C)(O)C[NH2+][C@H]1CSC[C@H]1C ZINC000336779132 170285393 /nfs/dbraw/zinc/28/53/93/170285393.db2.gz NGLCCUVNHUYGGC-WCABBAIRSA-N 1 0 247.360 0.642 10 0 BCAERO CCOC(=O)c1cc(NC(N)=[NH2+])cn1C ZINC000039084191 170292514 /nfs/dbraw/zinc/29/25/14/170292514.db2.gz UBQWEMRGQVJOBD-UHFFFAOYSA-N 1 0 210.237 0.507 10 0 BCAERO CCOC(=O)c1ccc(N2CC[C@@H]([NH3+])C2)nc1 ZINC000050244229 170296375 /nfs/dbraw/zinc/29/63/75/170296375.db2.gz RKXQWBBRCKYODH-SNVBAGLBSA-N 1 0 235.287 0.796 10 0 BCAERO CCOC(=O)c1cccnc1NCC[NH3+] ZINC000019430068 170299976 /nfs/dbraw/zinc/29/99/76/170299976.db2.gz PCFBKCRHCMBYFQ-UHFFFAOYSA-N 1 0 209.249 0.629 10 0 BCAERO CCOC(C[N@@H+]1CC[C@@H](O)C1)OCC ZINC000082164033 170315783 /nfs/dbraw/zinc/31/57/83/170315783.db2.gz RGYJGWMZZIZUAS-SECBINFHSA-N 1 0 203.282 0.452 10 0 BCAERO CCOCC(=O)N(C)[C@@H]1CCC[NH2+]C1 ZINC000037470129 170337929 /nfs/dbraw/zinc/33/79/29/170337929.db2.gz VVDHGZWWJOKPOE-SECBINFHSA-N 1 0 200.282 0.233 10 0 BCAERO CCOCCC(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000061883705 170362710 /nfs/dbraw/zinc/36/27/10/170362710.db2.gz DAJQTMLPSWXJSN-ZJUUUORDSA-N 1 0 214.309 0.657 10 0 BCAERO CCOCCCN1C[C@H](C[NH3+])OC1=O ZINC000019669002 170376616 /nfs/dbraw/zinc/37/66/16/170376616.db2.gz VELZKXMTQMCKMK-QMMMGPOBSA-N 1 0 202.254 0.193 10 0 BCAERO CCOCCC[NH2+]CC(=O)N(C)C(C)C ZINC000020055048 170380159 /nfs/dbraw/zinc/38/01/59/170380159.db2.gz OUDPOEMRNCICCI-UHFFFAOYSA-N 1 0 216.325 0.869 10 0 BCAERO CCOCC[N@@H+]1CCN(C(C)=O)C[C@H]1CC ZINC000116771061 170399832 /nfs/dbraw/zinc/39/98/32/170399832.db2.gz URVBJGLMYPJYJT-GFCCVEGCSA-N 1 0 228.336 0.966 10 0 BCAERO Cc1c(C[NH2+]CCOCCF)cnn1C ZINC000663340437 411630551 /nfs/dbraw/zinc/63/05/51/411630551.db2.gz DRQRCTVHDVNBHI-UHFFFAOYSA-N 1 0 215.272 0.804 10 0 BCAERO CC[N@@H+]1CCC[C@@H](Nc2nnc(C)o2)C1 ZINC000336750594 411633036 /nfs/dbraw/zinc/63/30/36/411633036.db2.gz FDZHWFNANCWYRT-SECBINFHSA-N 1 0 210.281 1.274 10 0 BCAERO CC[N@@H+]1CCO[C@@H](Nc2cc[nH]n2)CC1 ZINC000616665941 411634597 /nfs/dbraw/zinc/63/45/97/411634597.db2.gz ANYXIDVORRCVBJ-SNVBAGLBSA-N 1 0 210.281 0.890 10 0 BCAERO O[C@@H]1CCCC[C@H]1[NH2+]CCOCCF ZINC000663378008 411641942 /nfs/dbraw/zinc/64/19/42/411641942.db2.gz ZNMHGOFOQRZQRC-NXEZZACHSA-N 1 0 205.273 0.866 10 0 BCAERO Cc1nn(C)cc1C[NH2+]C[C@H]1CC(=O)N(C)C1 ZINC000657694500 411581098 /nfs/dbraw/zinc/58/10/98/411581098.db2.gz DJCWVBUDZVOPFA-SNVBAGLBSA-N 1 0 236.319 0.296 10 0 BCAERO Cc1ncccc1C[NH2+]C[C@H]1CC(=O)N(C)C1 ZINC000657696838 411581134 /nfs/dbraw/zinc/58/11/34/411581134.db2.gz LHFSTXQMPGNCDU-LLVKDONJSA-N 1 0 233.315 0.958 10 0 BCAERO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC(=O)N(C)C2)[C@H](C)O1 ZINC000657695820 411581160 /nfs/dbraw/zinc/58/11/60/411581160.db2.gz BVGKIWRXOIGZRH-RCWTZXSCSA-N 1 0 226.320 0.620 10 0 BCAERO Cc1cnn(C)c1C[NH2+]C[C@H]1CC(=O)N(C)C1 ZINC000657694796 411581316 /nfs/dbraw/zinc/58/13/16/411581316.db2.gz GTMCCNFBTFRRBP-SNVBAGLBSA-N 1 0 236.319 0.296 10 0 BCAERO Cc1nocc1C[NH2+]C[C@@H]1CC(=O)N(C)C1 ZINC000657695458 411581412 /nfs/dbraw/zinc/58/14/12/411581412.db2.gz MGMJILZHEZDONH-VIFPVBQESA-N 1 0 223.276 0.551 10 0 BCAERO CCOC[C@H](C)[NH2+][C@@H]1CCC(=O)N[C@@H]1C ZINC000336762894 170446735 /nfs/dbraw/zinc/44/67/35/170446735.db2.gz OGSYDLIABAVSDP-IVZWLZJFSA-N 1 0 214.309 0.668 10 0 BCAERO CC[NH2+][C@H](C)CNc1ncc(Cl)cn1 ZINC000387711264 411649448 /nfs/dbraw/zinc/64/94/48/411649448.db2.gz YZBLBEGZIISWEM-SSDOTTSWSA-N 1 0 214.700 1.540 10 0 BCAERO CCO[C@H]1C[C@@H]1C(=O)N1CCC([NH3+])CC1 ZINC000236953447 170508337 /nfs/dbraw/zinc/50/83/37/170508337.db2.gz LFEJBUHRWQFGDT-UWVGGRQHSA-N 1 0 212.293 0.361 10 0 BCAERO CCOc1cc(NC[C@H]2C[NH2+]CCO2)ncn1 ZINC000134274831 170527011 /nfs/dbraw/zinc/52/70/11/170527011.db2.gz VTTFMJLRPKJURW-SECBINFHSA-N 1 0 238.291 0.276 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000133246106 411669980 /nfs/dbraw/zinc/66/99/80/411669980.db2.gz SPYSZMHCVASWJJ-OUAUKWLOSA-N 1 0 228.336 0.996 10 0 BCAERO O=C([C@H]1CCC[NH2+]1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000133254867 411683074 /nfs/dbraw/zinc/68/30/74/411683074.db2.gz BRRJSUWOBJZXFY-IJLUTSLNSA-N 1 0 238.331 0.908 10 0 BCAERO CCOc1ccccc1N(C)C[C@@H](O)C[NH3+] ZINC000077337114 170594532 /nfs/dbraw/zinc/59/45/32/170594532.db2.gz PUNJROWPJHWAHC-JTQLQIEISA-N 1 0 224.304 0.841 10 0 BCAERO Cc1nc(NC[C@H]2C[NH2+]C[C@H]2O)sc1C ZINC000420260094 411748204 /nfs/dbraw/zinc/74/82/04/411748204.db2.gz ZLPRHXZDVWCUPH-RKDXNWHRSA-N 1 0 227.333 0.752 10 0 BCAERO CCc1cc(CC)nc(N[C@H](C)C[NH3+])n1 ZINC000379806744 411759158 /nfs/dbraw/zinc/75/91/58/411759158.db2.gz MPLKENAFRUXLBO-MRVPVSSYSA-N 1 0 208.309 1.361 10 0 BCAERO CCOc1nccnc1N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000561267656 411719505 /nfs/dbraw/zinc/71/95/05/411719505.db2.gz PLPGYBDZCIQZSB-ZJUUUORDSA-N 1 0 236.319 1.415 10 0 BCAERO CCOc1nccnc1N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000561267646 411720209 /nfs/dbraw/zinc/72/02/09/411720209.db2.gz PLPGYBDZCIQZSB-NXEZZACHSA-N 1 0 236.319 1.415 10 0 BCAERO CCOc1nccnc1N[C@@H]1CCC[NH2+][C@@H]1C ZINC000568849477 411720282 /nfs/dbraw/zinc/72/02/82/411720282.db2.gz QXRJAKYYHKNEIV-NXEZZACHSA-N 1 0 236.319 1.428 10 0 BCAERO CCOc1nccnc1NC[C@@H]1CCCC[NH2+]1 ZINC000642996366 411720373 /nfs/dbraw/zinc/72/03/73/411720373.db2.gz XGNRYQMRCCLLAA-JTQLQIEISA-N 1 0 236.319 1.429 10 0 BCAERO CCOc1nccnc1NCCOCCC[NH3+] ZINC000630537049 411721086 /nfs/dbraw/zinc/72/10/86/411721086.db2.gz IJJZOFGESVPLHX-UHFFFAOYSA-N 1 0 240.307 0.653 10 0 BCAERO CC(C)(C)OC[C@H](O)C[NH2+][C@H](CO)C1CCC1 ZINC000661156908 411722286 /nfs/dbraw/zinc/72/22/86/411722286.db2.gz KURFZDOCUKHGGT-VXGBXAGGSA-N 1 0 245.363 0.913 10 0 BCAERO CN1CCC[C@H]1C[NH2+][C@H](CO)C1CCC1 ZINC000661157003 411722815 /nfs/dbraw/zinc/72/28/15/411722815.db2.gz ZTMZEUMVALJJQR-NWDGAFQWSA-N 1 0 212.337 0.831 10 0 BCAERO CC[C@@H](C(N)=O)N(C)c1cc[nH+]cc1N ZINC000061677784 170674467 /nfs/dbraw/zinc/67/44/67/170674467.db2.gz SYVFMNZQLUJNLK-QMMMGPOBSA-N 1 0 208.265 0.364 10 0 BCAERO Cc1nnc(NCC2([NH3+])CCOCC2)nc1C ZINC000630524806 411803407 /nfs/dbraw/zinc/80/34/07/411803407.db2.gz YAJYQADTGLATLW-UHFFFAOYSA-N 1 0 237.307 0.408 10 0 BCAERO Cc1nnc2c(N[C@@H](C)[C@@H](C)[NH3+])nccn12 ZINC000381627062 411804902 /nfs/dbraw/zinc/80/49/02/411804902.db2.gz UMWPDEOVNMTKHG-RQJHMYQMSA-N 1 0 220.280 0.580 10 0 BCAERO C[C@@H](C[NH3+])CNc1ncnc2[nH]ccc21 ZINC000420216875 411816972 /nfs/dbraw/zinc/81/69/72/411816972.db2.gz NGGXTLYJQBFVME-ZETCQYMHSA-N 1 0 205.265 0.965 10 0 BCAERO C[C@@H]([NH3+])C[C@@H](C)Nc1ccc(C#N)nn1 ZINC000396898829 411823065 /nfs/dbraw/zinc/82/30/65/411823065.db2.gz BGOUPMRZDHFDPM-HTQZYQBOSA-N 1 0 205.265 0.886 10 0 BCAERO C[C@@H]1CC[C@H](Nc2ccc3nnnn3n2)C[NH2+]1 ZINC000630534361 411837573 /nfs/dbraw/zinc/83/75/73/411837573.db2.gz KBEBRBQGMRUSMB-SFYZADRCSA-N 1 0 233.279 0.072 10 0 BCAERO CC[N@@H+]1CCO[C@H](n2ccc(N)n2)CC1 ZINC000616684206 411858243 /nfs/dbraw/zinc/85/82/43/411858243.db2.gz GRONRQMFFPSGQP-JTQLQIEISA-N 1 0 210.281 0.706 10 0 BCAERO CCc1cc(C(=O)NC[C@H]2CC[NH2+]C2)n(C)n1 ZINC000133656419 411888268 /nfs/dbraw/zinc/88/82/68/411888268.db2.gz JWSKAQPUVSTVCZ-VIFPVBQESA-N 1 0 236.319 0.322 10 0 BCAERO CC[C@@H](C)[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NC ZINC000042273663 170793711 /nfs/dbraw/zinc/79/37/11/170793711.db2.gz JYZCTXHPKPVXQW-UTLUCORTSA-N 1 0 241.335 0.097 10 0 BCAERO C[C@H]1CC[C@@H](O)C[N@@H+]1Cc1ccnc(N)c1 ZINC000399394055 411929978 /nfs/dbraw/zinc/92/99/78/411929978.db2.gz CZIYOMGWULPYHC-GXSJLCMTSA-N 1 0 221.304 1.009 10 0 BCAERO Nc1ncc2ncn([C@H]3CCC[NH2+]C3)c2n1 ZINC000575434024 411936503 /nfs/dbraw/zinc/93/65/03/411936503.db2.gz CQHADFORCPRBBQ-ZETCQYMHSA-N 1 0 218.264 0.333 10 0 BCAERO Nc1nc2c(ncn2[C@H]2CC[NH2+]C2)c(Cl)n1 ZINC000575434368 411937221 /nfs/dbraw/zinc/93/72/21/411937221.db2.gz RSLCRRJDVFDZOC-YFKPBYRVSA-N 1 0 238.682 0.596 10 0 BCAERO CC(C)[N@@H+]1CCOC[C@H](c2cc(N)n[nH]2)C1 ZINC000616660456 411871477 /nfs/dbraw/zinc/87/14/77/411871477.db2.gz NCLOGUCDSQQGBG-SECBINFHSA-N 1 0 224.308 0.816 10 0 BCAERO CC(C)N1CC[NH2+]C[C@H]1c1cc(N)n[nH]1 ZINC000616636541 411871934 /nfs/dbraw/zinc/87/19/34/411871934.db2.gz DLYCHFKVOODTNX-VIFPVBQESA-N 1 0 209.297 0.347 10 0 BCAERO CCS(=O)(=O)Nc1cc[nH+]c(N)c1 ZINC000575526791 411873644 /nfs/dbraw/zinc/87/36/44/411873644.db2.gz XZRKZSMTWPUNGI-UHFFFAOYSA-N 1 0 201.251 0.425 10 0 BCAERO Nc1ccn(C2CCN(CC[NH3+])CC2)n1 ZINC000616619305 411975906 /nfs/dbraw/zinc/97/59/06/411975906.db2.gz HRPJDHJDKFWTAF-UHFFFAOYSA-N 1 0 209.297 0.061 10 0 BCAERO Nc1cc(C2CCN(CC[NH3+])CC2)[nH]n1 ZINC000616620305 411976918 /nfs/dbraw/zinc/97/69/18/411976918.db2.gz VCIBEUCAPCIHRW-UHFFFAOYSA-N 1 0 209.297 0.130 10 0 BCAERO Nc1cc([C@@H]2CCCC[N@@H+]2CCO)[nH]n1 ZINC000616615862 411945997 /nfs/dbraw/zinc/94/59/97/411945997.db2.gz CRZZWUOJCSJVCC-VIFPVBQESA-N 1 0 210.281 0.511 10 0 BCAERO Nc1cc([C@@H]2CCC[N@H+](CCO)CC2)[nH]n1 ZINC000616601175 411946833 /nfs/dbraw/zinc/94/68/33/411946833.db2.gz KTUUYLJGKPTJOK-SECBINFHSA-N 1 0 224.308 0.554 10 0 BCAERO Brc1ccc(N[C@H]2CC[NH2+]C2)nn1 ZINC000575589581 412029034 /nfs/dbraw/zinc/02/90/34/412029034.db2.gz WJNXMDHKVANADN-LURJTMIESA-N 1 0 243.108 1.013 10 0 BCAERO CC[C@@H]1CN(C(=O)C(C)(C)[NH2+]C)CCO1 ZINC000061300480 171061655 /nfs/dbraw/zinc/06/16/55/171061655.db2.gz QYAFAZCQLVSIJE-SECBINFHSA-N 1 0 214.309 0.622 10 0 BCAERO CC[C@@H]1CN(C(=O)[C@H]2CC[NH2+]C2)CCO1 ZINC000062112899 171069698 /nfs/dbraw/zinc/06/96/98/171069698.db2.gz XQBUCNJZCDAYGZ-VHSXEESVSA-N 1 0 212.293 0.233 10 0 BCAERO CC[C@@H]1CN(C(C)=O)CC[N@@H+]1CCOC ZINC000117302716 171074450 /nfs/dbraw/zinc/07/44/50/171074450.db2.gz RQCRYANXCKAIGJ-LLVKDONJSA-N 1 0 214.309 0.576 10 0 BCAERO CC[C@@H]1CN(CC[NH2+]C[C@@H]2CCCO2)CCO1 ZINC000053382469 171080880 /nfs/dbraw/zinc/08/08/80/171080880.db2.gz MZUIOWUOGTWVPS-OLZOCXBDSA-N 1 0 242.363 0.866 10 0 BCAERO CC[C@@H]1CN(C[C@@H](C)O)[C@H](CC)C[NH2+]1 ZINC000083117946 171084480 /nfs/dbraw/zinc/08/44/80/171084480.db2.gz KRNVRSYBFALCAO-GMTAPVOTSA-N 1 0 200.326 0.830 10 0 BCAERO CC[C@@H]1CN([C@@H](C[NH3+])[C@@H]2CCCOC2)CCO1 ZINC000104324831 171094580 /nfs/dbraw/zinc/09/45/80/171094580.db2.gz GJGVISJMQRRPFU-UPJWGTAASA-N 1 0 242.363 0.851 10 0 BCAERO CC[C@@H]1COCCN1C(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000233934675 171104315 /nfs/dbraw/zinc/10/43/15/171104315.db2.gz FOFJSQFZFNOTFJ-GMTAPVOTSA-N 1 0 226.320 0.479 10 0 BCAERO CN(C[C@@H]1C[C@H]2C[C@H]2C1)[C@H]1C[NH2+]C[C@@H]1O ZINC000662275535 412067877 /nfs/dbraw/zinc/06/78/77/412067877.db2.gz DTKNDJWNJPPVMW-OSUNSFLBSA-N 1 0 210.321 0.297 10 0 BCAERO CC[C@@](C(N)=O)(C(C)C)N1CC[NH2+]CC1 ZINC000037945566 171162880 /nfs/dbraw/zinc/16/28/80/171162880.db2.gz BBXTYSJTJIENEP-NSHDSACASA-N 1 0 213.325 0.182 10 0 BCAERO CC[C@@]1(C(=O)NCc2nc[nH]n2)CCC[NH2+]C1 ZINC000062857921 171196527 /nfs/dbraw/zinc/19/65/27/171196527.db2.gz CSZUDTKYRGCWSB-LLVKDONJSA-N 1 0 237.307 0.201 10 0 BCAERO CC[C@H](C(=O)OC)N1CCC[NH2+]CC1 ZINC000037959470 171240648 /nfs/dbraw/zinc/24/06/48/171240648.db2.gz ACFGSZXGUTXTGJ-SECBINFHSA-N 1 0 200.282 0.233 10 0 BCAERO CC[C@H](C)C(=O)N1CCN([C@@H](CC)C[NH3+])CC1 ZINC000104053837 171248581 /nfs/dbraw/zinc/24/85/81/171248581.db2.gz DVMPTXAYLHOUSH-RYUDHWBXSA-N 1 0 241.379 0.914 10 0 BCAERO CC[C@H](C)NC(=O)CC[NH2+]C[C@@H](C)C(=O)OC ZINC000038014518 171322480 /nfs/dbraw/zinc/32/24/80/171322480.db2.gz JADTXAFMRJMIHV-ZJUUUORDSA-N 1 0 244.335 0.690 10 0 BCAERO CC[C@H](C)NC(=O)C[NH2+][C@H]1CCN2CCC[C@H]12 ZINC000049568208 171326525 /nfs/dbraw/zinc/32/65/25/171326525.db2.gz IVBLSOKJORBWLA-SDDRHHMPSA-N 1 0 239.363 0.727 10 0 BCAERO CC[C@H](C)[NH2+]CC(=O)NCc1cn[nH]c1 ZINC000038006671 171339451 /nfs/dbraw/zinc/33/94/51/171339451.db2.gz GMGBBISEONWONT-QMMMGPOBSA-N 1 0 210.281 0.414 10 0 BCAERO CC[C@H](C)[NH2+]CC(=O)N(C)CCCC(=O)OC ZINC000037813229 171339900 /nfs/dbraw/zinc/33/99/00/171339900.db2.gz CTODTXQOLKAISH-JTQLQIEISA-N 1 0 244.335 0.786 10 0 BCAERO CC[C@H](C)[NH2+]CC(=O)N1[C@@H]2CC[C@H]1CC(O)C2 ZINC000104256930 171339925 /nfs/dbraw/zinc/33/99/25/171339925.db2.gz GLVLCFAFKAUUOT-WSMDXJOWSA-N 1 0 240.347 0.889 10 0 BCAERO CC[C@H](C)[NH2+][C@@]1(C(N)=O)CN2CCC1CC2 ZINC000038065043 171347486 /nfs/dbraw/zinc/34/74/86/171347486.db2.gz AMHSGLJFQMJDIF-CABZTGNLSA-N 1 0 225.336 0.324 10 0 BCAERO CC[C@H](C)[NH2+][C@H](C(N)=O)c1c(C)nn(C)c1C ZINC000038065103 171348253 /nfs/dbraw/zinc/34/82/53/171348253.db2.gz KKVSRWWFRULUNY-CPCISQLKSA-N 1 0 238.335 0.951 10 0 BCAERO CC[C@H](C)[NH2+][C@]1(C(N)=O)CN2CCC1CC2 ZINC000038065041 171349704 /nfs/dbraw/zinc/34/97/04/171349704.db2.gz AMHSGLJFQMJDIF-JOYOIKCWSA-N 1 0 225.336 0.324 10 0 BCAERO CC[C@H](C)[C@@H](C)NC(=O)[C@@H](C)N1CC[NH2+]CC1 ZINC000042574425 171362771 /nfs/dbraw/zinc/36/27/71/171362771.db2.gz KJFLPUSSBXTOIZ-QJPTWQEYSA-N 1 0 241.379 0.831 10 0 BCAERO C[C@H](CCCCO)[NH2+][C@@H]1CCC(=O)N[C@H]1C ZINC000309790231 487622395 /nfs/dbraw/zinc/62/23/95/487622395.db2.gz UHADWOPWDOGNSH-OUAUKWLOSA-N 1 0 228.336 0.794 10 0 BCAERO Cn1ncc(Cl)c1C(=O)N1CCC[C@H]([NH3+])C1 ZINC000662388970 412139524 /nfs/dbraw/zinc/13/95/24/412139524.db2.gz BACAFZMRHYNKBY-ZETCQYMHSA-N 1 0 242.710 0.637 10 0 BCAERO CC[C@H](C)[C@H](O)CNC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000237004991 171401943 /nfs/dbraw/zinc/40/19/43/171401943.db2.gz ARSDLZYKRWZDIZ-LNFKQOIKSA-N 1 0 228.336 0.637 10 0 BCAERO CC[C@H](C[NH2+]C)[C@H]1CCS(=O)(=O)C1 ZINC000052949707 171437239 /nfs/dbraw/zinc/43/72/39/171437239.db2.gz ZRAICSXIAYXRRP-BDAKNGLRSA-N 1 0 205.323 0.667 10 0 BCAERO C[C@H]1CN(C(=O)C[C@H]2CC[NH2+]C2)C[C@H](C)O1 ZINC000662344305 412114521 /nfs/dbraw/zinc/11/45/21/412114521.db2.gz XYFNHXPTQZINTH-GARJFASQSA-N 1 0 226.320 0.622 10 0 BCAERO CC(=O)N[C@@H]1CCN(C(=O)C[C@@H]([NH3+])C(C)C)C1 ZINC000134199455 412125203 /nfs/dbraw/zinc/12/52/03/412125203.db2.gz SWIDZHVXWSXQPO-GHMZBOCLSA-N 1 0 241.335 0.097 10 0 BCAERO CC[C@H](COC)NC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000227807208 171457290 /nfs/dbraw/zinc/45/72/90/171457290.db2.gz FKKSAXCAMUOFJP-OPRDCNLKSA-N 1 0 214.309 0.655 10 0 BCAERO [NH3+][C@H]1C[C@H](C(=O)NCC[C@@H]2CCCO2)C1 ZINC000662462859 412183282 /nfs/dbraw/zinc/18/32/82/412183282.db2.gz OYSMIUKVIRFJBM-GUBZILKMSA-N 1 0 212.293 0.409 10 0 BCAERO CC[C@H]([NH3+])Cc1noc(-c2cc[nH]n2)n1 ZINC000062779940 171486644 /nfs/dbraw/zinc/48/66/44/171486644.db2.gz QWQTWONBXKASSV-LURJTMIESA-N 1 0 207.237 0.740 10 0 BCAERO CC[C@H]([NH2+]C)C(=O)NC[C@H](O)C(C)(C)C ZINC000662502218 412197764 /nfs/dbraw/zinc/19/77/64/412197764.db2.gz JZIJZOJEXKYBBU-IUCAKERBSA-N 1 0 216.325 0.508 10 0 BCAERO C[C@H]1OCC[C@H]1NC(=O)C[C@H]1CC[NH2+]C1 ZINC000662510464 412200823 /nfs/dbraw/zinc/20/08/23/412200823.db2.gz DFBUBLRKTHFMSG-OPRDCNLKSA-N 1 0 212.293 0.280 10 0 BCAERO CN(C)c1nccc(N[C@@H](CC[NH3+])C(F)F)n1 ZINC000394797938 412200949 /nfs/dbraw/zinc/20/09/49/412200949.db2.gz KUNGGCSPFINRNQ-ZETCQYMHSA-N 1 0 245.277 0.937 10 0 BCAERO CC[C@H]([NH2+]C)C(=O)NC[C@@H]1CCC[C@@H]1O ZINC000662526601 412205289 /nfs/dbraw/zinc/20/52/89/412205289.db2.gz AWYHOVGTAWITOC-GUBZILKMSA-N 1 0 214.309 0.262 10 0 BCAERO CC[C@H]([NH2+]C)C(=O)N[C@H]1CCCOC1 ZINC000662448042 412162952 /nfs/dbraw/zinc/16/29/52/412162952.db2.gz FJAIXRWOILGWEF-IUCAKERBSA-N 1 0 200.282 0.280 10 0 BCAERO OC[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)C1CCC1 ZINC000665235739 412174540 /nfs/dbraw/zinc/17/45/40/412174540.db2.gz ZDFCPDVCGKFBAL-VXGBXAGGSA-N 1 0 212.337 0.879 10 0 BCAERO OC[C@H]([NH2+][C@H]1CCC[NH2+]CC1)C1CCC1 ZINC000665235738 412174631 /nfs/dbraw/zinc/17/46/31/412174631.db2.gz ZDFCPDVCGKFBAL-RYUDHWBXSA-N 1 0 212.337 0.879 10 0 BCAERO CC(C)([NH3+])CNc1ccc(Br)nn1 ZINC000575586772 412258137 /nfs/dbraw/zinc/25/81/37/412258137.db2.gz HRYBZGMYGBPLJC-UHFFFAOYSA-N 1 0 245.124 1.388 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N(C)CC1=CCCOC1 ZINC000662662306 412262181 /nfs/dbraw/zinc/26/21/81/412262181.db2.gz PTBVKRVKLPJQJO-ZYHUDNBSSA-N 1 0 238.331 0.647 10 0 BCAERO CN(CC1=CCCOC1)C(=O)[C@H]1CCC[NH2+]C1 ZINC000662663159 412262612 /nfs/dbraw/zinc/26/26/12/412262612.db2.gz XTTVUCWIVVBOKW-LBPRGKRZSA-N 1 0 238.331 0.791 10 0 BCAERO O=C(NCCc1ccoc1)[C@H]1C[C@H](F)C[NH2+]1 ZINC000662663191 412262655 /nfs/dbraw/zinc/26/26/55/412262655.db2.gz MDNFUBZQGICNTH-VHSXEESVSA-N 1 0 226.251 0.638 10 0 BCAERO COC[C@H]([NH3+])C(=O)NC[C@@H]1CCC[C@H]2C[C@H]21 ZINC000662665206 412263937 /nfs/dbraw/zinc/26/39/37/412263937.db2.gz JHUFKIGRDXLYRR-MMWGEVLESA-N 1 0 226.320 0.513 10 0 BCAERO COC[C@@H]([NH3+])C(=O)NC[C@@]1(C)CC1(F)F ZINC000662666093 412265025 /nfs/dbraw/zinc/26/50/25/412265025.db2.gz NRQOKKSUZLHTJP-HTRCEHHLSA-N 1 0 222.235 0.122 10 0 BCAERO COC[C@H]([NH3+])C(=O)NC[C@@H]1CCC[C@@H](C)O1 ZINC000662667908 412265768 /nfs/dbraw/zinc/26/57/68/412265768.db2.gz ZNJXBFQMHBASKU-UTLUCORTSA-N 1 0 230.308 0.034 10 0 BCAERO CNC(=O)c1ccc(N[C@@H]2CC[C@H](C)[NH2+]C2)nn1 ZINC000630531603 412289035 /nfs/dbraw/zinc/28/90/35/412289035.db2.gz BSRAOSGTRIUKFK-DTWKUNHWSA-N 1 0 249.318 0.389 10 0 BCAERO CC(C)[C@@H]([NH3+])CC(=O)N1CCC(=O)N(C)CC1 ZINC000662695763 412274145 /nfs/dbraw/zinc/27/41/45/412274145.db2.gz PNCCQSPWBBOCRK-JTQLQIEISA-N 1 0 241.335 0.051 10 0 BCAERO O=C([C@H]1CC[NH2+]C1)N1CC[C@H]2COC[C@H]2C1 ZINC000662710778 412274550 /nfs/dbraw/zinc/27/45/50/412274550.db2.gz JLVZNPYBMVPQOS-GARJFASQSA-N 1 0 224.304 0.091 10 0 BCAERO COC[C@H]([NH3+])C(=O)NC[C@H](OC)C1CCCC1 ZINC000662713217 412280344 /nfs/dbraw/zinc/28/03/44/412280344.db2.gz VUJKUMJJNHCGIA-QWRGUYRKSA-N 1 0 244.335 0.282 10 0 BCAERO CC(C)C[C@@H](C[NH3+])Nc1ccc2nncn2n1 ZINC000420177613 412283385 /nfs/dbraw/zinc/28/33/85/412283385.db2.gz AANAJLZHSNQVNT-VIFPVBQESA-N 1 0 234.307 0.910 10 0 BCAERO C[NH2+][C@@H](C)CNC(=O)[C@@H](OC)C1CCC1 ZINC000662559728 412219219 /nfs/dbraw/zinc/21/92/19/412219219.db2.gz DPZLBWKUCJBJKQ-WPRPVWTQSA-N 1 0 214.309 0.526 10 0 BCAERO CC[C@H]1CN(C(=O)[C@@H]2CC[NH2+]C2)CCO1 ZINC000062112898 171651421 /nfs/dbraw/zinc/65/14/21/171651421.db2.gz XQBUCNJZCDAYGZ-ZJUUUORDSA-N 1 0 212.293 0.233 10 0 BCAERO COC[C@@H]([NH3+])C(=O)NCc1cc(C)cc(C)c1 ZINC000662645355 412253564 /nfs/dbraw/zinc/25/35/64/412253564.db2.gz AEFDRQAFGQSKAT-GFCCVEGCSA-N 1 0 236.315 0.893 10 0 BCAERO C[C@@H]1CN(C(=O)c2ncccc2N)C[C@@H]1[NH+](C)C ZINC000132821029 412306821 /nfs/dbraw/zinc/30/68/21/412306821.db2.gz JCQKYVKBDSQHMQ-KOLCDFICSA-N 1 0 248.330 0.686 10 0 BCAERO C[C@@H]1CN(C(=O)c2c(Cl)cnn2C)C[C@@H]1[NH3+] ZINC000662816433 412309092 /nfs/dbraw/zinc/30/90/92/412309092.db2.gz ZZZWCPDAPIVWPB-SVRRBLITSA-N 1 0 242.710 0.493 10 0 BCAERO CC(C)[C@@H]([NH3+])CNc1ncnc2[nH]ccc21 ZINC000420210287 412310928 /nfs/dbraw/zinc/31/09/28/412310928.db2.gz WCNRDWSDIBKZHI-VIFPVBQESA-N 1 0 219.292 1.353 10 0 BCAERO CC[C@H](C)[C@@H]([NH3+])C(=O)N[C@H](CO)C1CCC1 ZINC000662850254 412321572 /nfs/dbraw/zinc/32/15/72/412321572.db2.gz SHYVCWIRWBDJMZ-JMJZKYOTSA-N 1 0 228.336 0.637 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)N(C)C1(COC)CC1 ZINC000662850190 412321704 /nfs/dbraw/zinc/32/17/04/412321704.db2.gz OMNZZFRUPGUIPX-SECBINFHSA-N 1 0 214.309 0.751 10 0 BCAERO CC[C@H](C)[C@@H]([NH3+])C(=O)N[C@@H](CO)C1CCC1 ZINC000662850253 412321828 /nfs/dbraw/zinc/32/18/28/412321828.db2.gz SHYVCWIRWBDJMZ-INTQDDNPSA-N 1 0 228.336 0.637 10 0 BCAERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)N[C@@H](CO)C1CCC1 ZINC000662855122 412324069 /nfs/dbraw/zinc/32/40/69/412324069.db2.gz VRRKOSRDZQORHO-WCQGTBRESA-N 1 0 240.347 0.652 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)NCCOCCF ZINC000663002374 412366841 /nfs/dbraw/zinc/36/68/41/412366841.db2.gz DXXYIZXEWWRLBK-MRVPVSSYSA-N 1 0 206.261 0.216 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)NC/C=C\CO ZINC000662858881 412326299 /nfs/dbraw/zinc/32/62/99/412326299.db2.gz JHFULXSWXJCZLQ-ZBJFTSOASA-N 1 0 200.282 0.025 10 0 BCAERO O=C(NCCCC1CCC1)[C@H]1C[NH2+]CCOC1 ZINC000662876078 412333679 /nfs/dbraw/zinc/33/36/79/412333679.db2.gz UEJRPSKXOSRXFW-LBPRGKRZSA-N 1 0 240.347 0.919 10 0 BCAERO [NH3+]CC12CC(C1)CN2C(=O)CC(F)(F)F ZINC000662877203 412333740 /nfs/dbraw/zinc/33/37/40/412333740.db2.gz QOFVSFBQOHDVEP-UHFFFAOYSA-N 1 0 222.210 0.889 10 0 BCAERO O=C(NCCCC1CCC1)[C@@H]1C[NH2+]CCOC1 ZINC000662876073 412333744 /nfs/dbraw/zinc/33/37/44/412333744.db2.gz UEJRPSKXOSRXFW-GFCCVEGCSA-N 1 0 240.347 0.919 10 0 BCAERO C[C@]1(C(F)F)CN(C(=O)[C@H]2CC[NH2+]C2)CCO1 ZINC000663002756 412367162 /nfs/dbraw/zinc/36/71/62/412367162.db2.gz SCEIBAAFAHVAAN-GZMMTYOYSA-N 1 0 248.273 0.479 10 0 BCAERO CC(F)(F)CNC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000662897097 412335642 /nfs/dbraw/zinc/33/56/42/412335642.db2.gz CPXKNUAMZFGPID-RNFRBKRXSA-N 1 0 206.236 0.885 10 0 BCAERO COc1cc(NC(=O)[C@H]2C[C@H](F)C[NH2+]2)ccn1 ZINC000662900261 412340283 /nfs/dbraw/zinc/34/02/83/412340283.db2.gz MKTABYFWGXIOTO-IONNQARKSA-N 1 0 239.250 0.729 10 0 BCAERO COc1ccnc(N2CCO[C@@H]([C@H](C)[NH3+])C2)n1 ZINC000132903070 412348667 /nfs/dbraw/zinc/34/86/67/412348667.db2.gz BXMGEJZMPRIQEC-DTWKUNHWSA-N 1 0 238.291 0.038 10 0 BCAERO CCCOc1nccnc1NC1C[NH2+]C1 ZINC000630508779 412358514 /nfs/dbraw/zinc/35/85/14/412358514.db2.gz FWROAVJIYJAJSR-UHFFFAOYSA-N 1 0 208.265 0.649 10 0 BCAERO Cc1cn(C)nc1NC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000662970826 412360319 /nfs/dbraw/zinc/36/03/19/412360319.db2.gz QNFIDJVRCBQGHQ-VXNVDRBHSA-N 1 0 222.292 0.523 10 0 BCAERO C[NH2+]CCOCCNc1nnc(C)c(C)n1 ZINC000630525870 412292207 /nfs/dbraw/zinc/29/22/07/412292207.db2.gz BPPIRZSCLIPWSK-UHFFFAOYSA-N 1 0 225.296 0.136 10 0 BCAERO C[NH2+]CCOCCNc1ncc(Cl)cn1 ZINC000630530808 412292640 /nfs/dbraw/zinc/29/26/40/412292640.db2.gz PUSCONJTOMIEJK-UHFFFAOYSA-N 1 0 230.699 0.778 10 0 BCAERO C[NH2+][C@@H](C)CNc1ncnc2[nH]ccc21 ZINC000420249502 412297328 /nfs/dbraw/zinc/29/73/28/412297328.db2.gz XOOKPZPYZOZFBE-ZETCQYMHSA-N 1 0 205.265 0.978 10 0 BCAERO [NH3+]CC[C@H](Nc1cnccn1)C(F)F ZINC000383421476 412299870 /nfs/dbraw/zinc/29/98/70/412299870.db2.gz APZSQRYLMYJWNQ-LURJTMIESA-N 1 0 202.208 0.871 10 0 BCAERO CC(C)(C)[C@@H](O)CNC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662789400 412302613 /nfs/dbraw/zinc/30/26/13/412302613.db2.gz AWNDIQBTPNAHPT-CIUDSAMLSA-N 1 0 214.309 0.247 10 0 BCAERO Cc1cnn(CCNC(=O)[C@H]2C[C@H]([NH3+])C2)c1 ZINC000662791924 412303741 /nfs/dbraw/zinc/30/37/41/412303741.db2.gz TXZGMOKIJJGBLR-MGCOHNPYSA-N 1 0 222.292 0.045 10 0 BCAERO Cc1cnc([C@H](C)NC(=O)[C@H]2C[C@H]([NH3+])C2)o1 ZINC000662791822 412304061 /nfs/dbraw/zinc/30/40/61/412304061.db2.gz MNJAKIQAPKNAOA-CIUDSAMLSA-N 1 0 223.276 0.898 10 0 BCAERO C[C@H]([NH3+])[C@@H]1CN(C(=O)CC(F)(F)F)CCO1 ZINC000133012861 412389166 /nfs/dbraw/zinc/38/91/66/412389166.db2.gz RKXKKBGEYMGXOS-BQBZGAKWSA-N 1 0 240.225 0.513 10 0 BCAERO C[C@@H](CCO)[NH2+]C[C@H](O)COCc1ccco1 ZINC000133026252 412390804 /nfs/dbraw/zinc/39/08/04/412390804.db2.gz RSCKQRZPPODUDJ-QWRGUYRKSA-N 1 0 243.303 0.518 10 0 BCAERO C[NH2+]C[C@H](C)Nc1ncccc1S(C)(=O)=O ZINC000663279333 412402858 /nfs/dbraw/zinc/40/28/58/412402858.db2.gz QFLPUQVUCJJWKI-QMMMGPOBSA-N 1 0 243.332 0.505 10 0 BCAERO CCc1nc(N[C@H]2CCC[NH2+]C2)[nH]c(=O)c1C ZINC000057330011 172001363 /nfs/dbraw/zinc/00/13/63/172001363.db2.gz HZZIUFAYHZARRF-VIFPVBQESA-N 1 0 236.319 0.805 10 0 BCAERO CCc1nc(CN[C@H]2CCC[NH2+]C2)cc(=O)[nH]1 ZINC000045956892 172001367 /nfs/dbraw/zinc/00/13/67/172001367.db2.gz ILSWTJLBAUBSIK-VIFPVBQESA-N 1 0 236.319 0.586 10 0 BCAERO CCc1nc([C@]2(N)CC[N@@H+](C(C)C)C2)no1 ZINC000045660107 172008651 /nfs/dbraw/zinc/00/86/51/172008651.db2.gz YQUKSLBHFBUWCF-NSHDSACASA-N 1 0 224.308 0.900 10 0 BCAERO CCc1nc2ccccc2n1C[C@@](C)([NH3+])C(N)=O ZINC000062808022 172014500 /nfs/dbraw/zinc/01/45/00/172014500.db2.gz WGXQOROAZSUMSE-CYBMUJFWSA-N 1 0 246.314 0.801 10 0 BCAERO CCc1nccn1CC[C@@H]([NH2+]C1CC1)C(N)=O ZINC000062537340 172025091 /nfs/dbraw/zinc/02/50/91/172025091.db2.gz ONFFHWMPTJAVEW-SNVBAGLBSA-N 1 0 236.319 0.442 10 0 BCAERO CCc1nccn1[C@@H]1COCC[C@@H]1[NH2+]C ZINC000044036623 172029171 /nfs/dbraw/zinc/02/91/71/172029171.db2.gz LCCYDTLZUMRTNY-VHSXEESVSA-N 1 0 209.293 0.995 10 0 BCAERO CCc1ncnc(N(C)[C@H]2CC[NH2+]C2)c1F ZINC000234165319 172030997 /nfs/dbraw/zinc/03/09/97/172030997.db2.gz KGTQIBZAZYJYEX-QMMMGPOBSA-N 1 0 224.283 0.976 10 0 BCAERO CCc1ncnc(N2CC[C@H]([NH2+]C)C2)c1F ZINC000234181631 172031425 /nfs/dbraw/zinc/03/14/25/172031425.db2.gz RGDRJUNOYPIFPC-QMMMGPOBSA-N 1 0 224.283 0.976 10 0 BCAERO CCc1nn(C)cc1C(=O)N1CCC[C@H]1C[NH3+] ZINC000227556407 172039061 /nfs/dbraw/zinc/03/90/61/172039061.db2.gz JJPSYKMELGBYMD-VIFPVBQESA-N 1 0 236.319 0.546 10 0 BCAERO CCc1nn(C)cc1C(=O)N1CC[C@@H]([NH3+])[C@@H]1C ZINC000336322392 172039650 /nfs/dbraw/zinc/03/96/50/172039650.db2.gz BRPGLXJTTRLGQP-WCBMZHEXSA-N 1 0 236.319 0.544 10 0 BCAERO CCc1nnc(CN2CCC[NH2+]CC2)o1 ZINC000020253481 172049591 /nfs/dbraw/zinc/04/95/91/172049591.db2.gz NOJQTBFUHJHEFL-UHFFFAOYSA-N 1 0 210.281 0.427 10 0 BCAERO CCc1nnc(NC(=O)CC[NH+](C)C)s1 ZINC000010151447 172057569 /nfs/dbraw/zinc/05/75/69/172057569.db2.gz WJSMRYQPIYZDGQ-UHFFFAOYSA-N 1 0 228.321 0.991 10 0 BCAERO CC(C)[C@@H]([NH3+])CC(=O)N[C@@H](CCO)C(C)C ZINC000225810812 487624011 /nfs/dbraw/zinc/62/40/11/487624011.db2.gz LUKJVORQTCCTQA-QWRGUYRKSA-N 1 0 230.352 0.883 10 0 BCAERO CCc1noc(COC2CC[NH2+]CC2)n1 ZINC000036963145 172085177 /nfs/dbraw/zinc/08/51/77/172085177.db2.gz RRPQAIYPQMOLLK-UHFFFAOYSA-N 1 0 211.265 0.901 10 0 BCAERO CCc1nsc(NC[C@H]2C[NH2+]CCO2)n1 ZINC000227786849 172106274 /nfs/dbraw/zinc/10/62/74/172106274.db2.gz SMCIFIVYFGXKIW-SSDOTTSWSA-N 1 0 228.321 0.501 10 0 BCAERO CCn1c(CCC[NH3+])nnc1SC ZINC000021949593 172143884 /nfs/dbraw/zinc/14/38/84/172143884.db2.gz NMTPVFFTCUSERJ-UHFFFAOYSA-N 1 0 200.311 0.911 10 0 BCAERO CCn1cc(C[C@]2(C[NH3+])CCOC2)cn1 ZINC000054637680 172177255 /nfs/dbraw/zinc/17/72/55/172177255.db2.gz QFDJAHDOXQGYKD-NSHDSACASA-N 1 0 209.293 0.811 10 0 BCAERO CCn1cc(C[C@@]2(C[NH3+])CCOC2)cn1 ZINC000054637682 172177474 /nfs/dbraw/zinc/17/74/74/172177474.db2.gz QFDJAHDOXQGYKD-LLVKDONJSA-N 1 0 209.293 0.811 10 0 BCAERO CCn1cc([C@@H](C)N2CC[NH2+]CC2)cn1 ZINC000044500905 172192955 /nfs/dbraw/zinc/19/29/55/172192955.db2.gz OHXJTJGKDOJZMN-SNVBAGLBSA-N 1 0 208.309 0.869 10 0 BCAERO CCn1ccnc(N2CCC[C@H]2C[NH3+])c1=O ZINC000061772157 172210547 /nfs/dbraw/zinc/21/05/47/172210547.db2.gz PEERRBDEHYJAKV-VIFPVBQESA-N 1 0 222.292 0.191 10 0 BCAERO CCn1ccnc(NCC2CC[NH2+]CC2)c1=O ZINC000061767966 172210572 /nfs/dbraw/zinc/21/05/72/172210572.db2.gz PNUSTLPLOAXYFK-UHFFFAOYSA-N 1 0 236.319 0.675 10 0 BCAERO CCn1ccnc(N2CC[N@@H+]3CCC[C@H]3C2)c1=O ZINC000245613333 172211213 /nfs/dbraw/zinc/21/12/13/172211213.db2.gz UFPSRAPWEKBBRX-NSHDSACASA-N 1 0 248.330 0.548 10 0 BCAERO CCn1ccnc(N[C@H]2CCC[NH2+][C@H]2C)c1=O ZINC000229604961 172212206 /nfs/dbraw/zinc/21/22/06/172212206.db2.gz XIXCXVBNURVBNG-UWVGGRQHSA-N 1 0 236.319 0.816 10 0 BCAERO CCn1ccnc(OC[C@@H]2CCC[NH2+]2)c1=O ZINC000061771506 172213125 /nfs/dbraw/zinc/21/31/25/172213125.db2.gz QUTCGTJEQBNTKG-VIFPVBQESA-N 1 0 223.276 0.394 10 0 BCAERO CCn1nccc1CN1C[C@H]([NH3+])[C@@H](C)C1 ZINC000234209001 172269412 /nfs/dbraw/zinc/26/94/12/172269412.db2.gz GDNBOWCMEZUAFC-ONGXEEELSA-N 1 0 208.309 0.682 10 0 BCAERO CCn1nccc1N1CCC[C@@H]([NH3+])C1=O ZINC000096301150 172274220 /nfs/dbraw/zinc/27/42/20/172274220.db2.gz VWNHPXXOSRTVSL-MRVPVSSYSA-N 1 0 208.265 0.357 10 0 BCAERO CN(C(=O)[C@@H]1CCCCO1)C(C)(C)C[NH3+] ZINC000082642623 172326686 /nfs/dbraw/zinc/32/66/86/172326686.db2.gz OFJSAPSCGUSIJE-VIFPVBQESA-N 1 0 214.309 0.751 10 0 BCAERO CN(C(=O)[C@@H]1CCCOC1)C(C)(C)C[NH3+] ZINC000082642625 172327386 /nfs/dbraw/zinc/32/73/86/172327386.db2.gz RCINHKVTSPTYMZ-SECBINFHSA-N 1 0 214.309 0.609 10 0 BCAERO CN(C(=O)[C@@H]1CCC[C@H]1[NH3+])[C@H]1CCOC1 ZINC000250408497 172327605 /nfs/dbraw/zinc/32/76/05/172327605.db2.gz NKFDGYIMORBZHT-IVZWLZJFSA-N 1 0 212.293 0.361 10 0 BCAERO CN(C(=O)[C@H]1CCC[NH2+]C1)[C@H]1CCOC1 ZINC000133814972 172333590 /nfs/dbraw/zinc/33/35/90/172333590.db2.gz HRKUPXKUAXHWCJ-UWVGGRQHSA-N 1 0 212.293 0.233 10 0 BCAERO CN(C(=O)[C@H]1CCC[NH2+]1)c1ccccn1 ZINC000077458831 172333830 /nfs/dbraw/zinc/33/38/30/172333830.db2.gz ISOUTLBEADLZOM-SECBINFHSA-N 1 0 205.261 0.796 10 0 BCAERO CN(C(=O)[C@H]1C[NH2+]CCN1)C1CCCCCC1 ZINC000062812863 172334747 /nfs/dbraw/zinc/33/47/47/172334747.db2.gz NFEAHTMTNANUNG-GFCCVEGCSA-N 1 0 239.363 0.729 10 0 BCAERO CN(C(=O)[C@H]1C[NH2+]CCO1)c1ccccn1 ZINC000043707818 172334798 /nfs/dbraw/zinc/33/47/98/172334798.db2.gz SNEDVKLFQRSQPB-SECBINFHSA-N 1 0 221.260 0.033 10 0 BCAERO CN(C(=O)c1ccc(Cl)o1)[C@H]1C[NH2+]C[C@@H]1O ZINC000077452115 172340629 /nfs/dbraw/zinc/34/06/29/172340629.db2.gz WPYYWRWERDKHNT-BQBZGAKWSA-N 1 0 244.678 0.338 10 0 BCAERO CN(C)C(=O)CN(C)c1ccnc(C[NH3+])c1 ZINC000061811549 172363446 /nfs/dbraw/zinc/36/34/46/172363446.db2.gz LAYZKWWGNLTFOM-UHFFFAOYSA-N 1 0 222.292 0.065 10 0 BCAERO CN(C)C(=O)CN(C)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000037270198 172363743 /nfs/dbraw/zinc/36/37/43/172363743.db2.gz YSNHNZKKJOZWCB-NXEZZACHSA-N 1 0 213.325 0.134 10 0 BCAERO CN(C)C(=O)CN(C)c1ccc(C[NH3+])cn1 ZINC000037269546 172364167 /nfs/dbraw/zinc/36/41/67/172364167.db2.gz YFPZTEOTJCITQL-UHFFFAOYSA-N 1 0 222.292 0.065 10 0 BCAERO CN(C)C(=O)N[C@H](C[NH3+])c1ccccc1 ZINC000082640409 172380506 /nfs/dbraw/zinc/38/05/06/172380506.db2.gz GQKPYWPSNVDSIQ-SNVBAGLBSA-N 1 0 207.277 0.958 10 0 BCAERO CN(C)C(=O)[C@@H]1C[C@@]2(CO1)CCC[NH2+]C2 ZINC000096074306 172385523 /nfs/dbraw/zinc/38/55/23/172385523.db2.gz RTCDDDJKNKFGGA-ONGXEEELSA-N 1 0 212.293 0.233 10 0 BCAERO CN(C)C(=O)[C@@H]1CCCN1c1ccc(C[NH3+])cn1 ZINC000036796713 172385530 /nfs/dbraw/zinc/38/55/30/172385530.db2.gz DTCDYPDGNALVFI-NSHDSACASA-N 1 0 248.330 0.597 10 0 BCAERO CN(C)C(=O)[C@H]1C[NH2+]CCN1Cc1ccccc1 ZINC000084211819 172386613 /nfs/dbraw/zinc/38/66/13/172386613.db2.gz VCGWIZPBKSVRIF-CYBMUJFWSA-N 1 0 247.342 0.549 10 0 BCAERO CN(C)C(=O)c1cc(N[C@H]2C[C@@H]2[NH3+])ccn1 ZINC000036267875 172388661 /nfs/dbraw/zinc/38/86/61/172388661.db2.gz CBFGHSCGTOOOLU-IUCAKERBSA-N 1 0 220.276 0.295 10 0 BCAERO C[NH+](C)CC(C)(C)CNC(=O)c1c[nH]nc1N ZINC000036939497 172422483 /nfs/dbraw/zinc/42/24/83/172422483.db2.gz WNEKGBBDXXEKOC-UHFFFAOYSA-N 1 0 239.323 0.310 10 0 BCAERO C[NH+](C)CCNC(=O)C(C)(C)Br ZINC000041707888 172456104 /nfs/dbraw/zinc/45/61/04/172456104.db2.gz UHKMJGOFGKRVFL-UHFFFAOYSA-N 1 0 237.141 0.838 10 0 BCAERO C[NH+](C)C[C@@H]1CN(Cc2nccs2)CCO1 ZINC000128254653 172487970 /nfs/dbraw/zinc/48/79/70/172487970.db2.gz PJSLBWMZYBGDRS-SNVBAGLBSA-N 1 0 241.360 0.906 10 0 BCAERO C[NH+](C)[C@@H]1CC[C@H](NC(=O)[C@H]2COCCO2)C1 ZINC000337144613 172530372 /nfs/dbraw/zinc/53/03/72/172530372.db2.gz HGFMAAYZGJDSBO-HBNTYKKESA-N 1 0 242.319 0.001 10 0 BCAERO C[NH+](C)[C@H]1CC[C@H](NS(=O)(=O)C2CC2)C1 ZINC000123486295 172541060 /nfs/dbraw/zinc/54/10/60/172541060.db2.gz MFVZUYCXFLKVPR-IUCAKERBSA-N 1 0 232.349 0.551 10 0 BCAERO CN(CC(C)(C)C[NH3+])c1nccn2cnnc12 ZINC000093874646 172624335 /nfs/dbraw/zinc/62/43/35/172624335.db2.gz CDEDLDNNJBVMKP-UHFFFAOYSA-N 1 0 234.307 0.545 10 0 BCAERO CN(CCC[NH3+])C(=O)CCOC[C@@H]1CCOC1 ZINC000049689010 172704152 /nfs/dbraw/zinc/70/41/52/172704152.db2.gz VIBQBFDWHCQCRY-LLVKDONJSA-N 1 0 244.335 0.237 10 0 BCAERO CN(Cc1cccnc1)[C@@H]1COCC[C@@H]1[NH3+] ZINC000036305463 172885911 /nfs/dbraw/zinc/88/59/11/172885911.db2.gz KICXSCUSWPHTSH-NWDGAFQWSA-N 1 0 221.304 0.630 10 0 BCAERO CCc1cc(NC(=O)[C@H]2C[C@@H](OC)C[NH2+]2)n[nH]1 ZINC000228333821 487625692 /nfs/dbraw/zinc/62/56/92/487625692.db2.gz CHEYJNGGMJBDRV-RKDXNWHRSA-N 1 0 238.291 0.288 10 0 BCAERO CN(c1ncc(F)cn1)C1CC[NH2+]CC1 ZINC000095070643 172954106 /nfs/dbraw/zinc/95/41/06/172954106.db2.gz HTZASCDLNGUWCX-UHFFFAOYSA-N 1 0 210.256 0.804 10 0 BCAERO C[N@@H+]1CCC2(C1)CCN(C(=O)c1nc[nH]n1)CC2 ZINC000065387752 173003133 /nfs/dbraw/zinc/00/31/33/173003133.db2.gz QQUNXZMDDKFEQM-UHFFFAOYSA-N 1 0 249.318 0.363 10 0 BCAERO C[N@@H+]1CCCC[C@H]1CCC(=O)N1CNC(=O)C1 ZINC000065403331 173007269 /nfs/dbraw/zinc/00/72/69/173007269.db2.gz ANOQYCXGJOJDJQ-JTQLQIEISA-N 1 0 239.319 0.167 10 0 BCAERO C[N@@H+]1CCCN(Cc2nnsc2N)CC1 ZINC000050812358 173016845 /nfs/dbraw/zinc/01/68/45/173016845.db2.gz JVDAPMGKLDWSEL-UHFFFAOYSA-N 1 0 227.337 0.258 10 0 BCAERO C[N@@H+]1CCC[C@@H](OC(=O)CCN2CC2)C1 ZINC000003614352 173021858 /nfs/dbraw/zinc/02/18/58/173021858.db2.gz PIPOFPHKPVIVHJ-SNVBAGLBSA-N 1 0 212.293 0.330 10 0 BCAERO C[N@@H+]1CCC[C@@H]1CCN1CCO[C@@H](CO)C1 ZINC000336667734 173028628 /nfs/dbraw/zinc/02/86/28/173028628.db2.gz GUPFWWUNIXICCB-VXGBXAGGSA-N 1 0 228.336 0.164 10 0 BCAERO C[N@@H+]1CCC[C@@H]2CCC[C@@H](S(N)(=O)=O)[C@H]21 ZINC000238853191 173035649 /nfs/dbraw/zinc/03/56/49/173035649.db2.gz IPFPZBGJFVSRDN-AEJSXWLSSA-N 1 0 232.349 0.538 10 0 BCAERO C[N@@H+]1CCC[C@@]12CCN(c1ncno1)C2 ZINC000038867056 173038106 /nfs/dbraw/zinc/03/81/06/173038106.db2.gz QTVXTNSCAPFCKO-JTQLQIEISA-N 1 0 208.265 0.744 10 0 BCAERO C[N@@H+]1CCC[C@H](CNCc2ncccn2)C1 ZINC000054459639 173042774 /nfs/dbraw/zinc/04/27/74/173042774.db2.gz KLUJIYOLUWGIQN-LLVKDONJSA-N 1 0 220.320 0.908 10 0 BCAERO CN1CCC[C@H]([NH2+]Cc2cnccn2)C1 ZINC000054766613 173045824 /nfs/dbraw/zinc/04/58/24/173045824.db2.gz KCBRXDNOJWDMAS-JTQLQIEISA-N 1 0 206.293 0.660 10 0 BCAERO CN1CCN(C(=O)C[NH2+]C(C)(C)C)CC1 ZINC000020056804 173067679 /nfs/dbraw/zinc/06/76/79/173067679.db2.gz XDJHIONFRMMACK-UHFFFAOYSA-N 1 0 213.325 0.149 10 0 BCAERO CN1CCN(C(=O)[C@@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000055085909 173068388 /nfs/dbraw/zinc/06/83/88/173068388.db2.gz FOUUSIWQWHGEGE-MNOVXSKESA-N 1 0 225.336 0.278 10 0 BCAERO CN1CCN(C(=O)[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000055085923 173071128 /nfs/dbraw/zinc/07/11/28/173071128.db2.gz LTIWWGADTVOTEV-WDEREUQCSA-N 1 0 225.336 0.278 10 0 BCAERO CN1CCN(CC[C@H]2CCCC[NH2+]2)C1=O ZINC000052885887 173082191 /nfs/dbraw/zinc/08/21/91/173082191.db2.gz QGYOCURZVJKPIH-SNVBAGLBSA-N 1 0 211.309 0.886 10 0 BCAERO CN(CCN1CC[NH+](C)CC1)c1ccccc1N ZINC000019730795 173082969 /nfs/dbraw/zinc/08/29/69/173082969.db2.gz BULROKCLOAZVEG-UHFFFAOYSA-N 1 0 248.374 0.952 10 0 BCAERO CN1CCN([C@@H]2COc3ccccc3[C@@H]2[NH3+])CC1 ZINC000019397299 173092450 /nfs/dbraw/zinc/09/24/50/173092450.db2.gz MOSFDOZXOZJNTA-OCCSQVGLSA-N 1 0 247.342 0.695 10 0 BCAERO CN1CCN([C@@]2(C[NH3+])CCSC2)CC1 ZINC000019435545 173094198 /nfs/dbraw/zinc/09/41/98/173094198.db2.gz SIOKKTXGWGELHH-SNVBAGLBSA-N 1 0 215.366 0.068 10 0 BCAERO CN1CC[NH2+]C[C@H]1C(=O)c1ccc(O)cc1 ZINC000095932810 173096798 /nfs/dbraw/zinc/09/67/98/173096798.db2.gz QELUHMDZTWXKOL-NSHDSACASA-N 1 0 220.272 0.479 10 0 BCAERO CN1CCO[C@@H](C[NH2+]Cc2ccco2)C1 ZINC000082432933 173102992 /nfs/dbraw/zinc/10/29/92/173102992.db2.gz ZEHJUOVGDMPXFM-NSHDSACASA-N 1 0 210.277 0.700 10 0 BCAERO CN(C[C@@H]1CC[N@H+](C)C1)C(=O)c1ccc(=O)[nH]c1 ZINC000071190646 173113262 /nfs/dbraw/zinc/11/32/62/173113262.db2.gz FWRYBRMQGKVIAX-SNVBAGLBSA-N 1 0 249.314 0.399 10 0 BCAERO C[N@@H+]1CC[C@@](Nc2ccc(F)cc2)(C(N)=O)C1 ZINC000061990987 173136561 /nfs/dbraw/zinc/13/65/61/173136561.db2.gz DQHQILPTSDOGMI-LBPRGKRZSA-N 1 0 237.278 0.797 10 0 BCAERO C[N@@H+]1CC[C@H](C(=O)Nc2ccc(N)nc2)C1 ZINC000061680289 173142155 /nfs/dbraw/zinc/14/21/55/173142155.db2.gz MUTFYYNYQULVSA-QMMMGPOBSA-N 1 0 220.276 0.554 10 0 BCAERO CN(C[C@H]1CC[N@H+](C)C1)C(=O)c1cncc(O)c1 ZINC000109041528 173144019 /nfs/dbraw/zinc/14/40/19/173144019.db2.gz WZESAIIIQPOWOB-JTQLQIEISA-N 1 0 249.314 0.811 10 0 BCAERO C[N@@H+]1CC[C@H](CNCc2cnccn2)C1 ZINC000054766433 173146451 /nfs/dbraw/zinc/14/64/51/173146451.db2.gz BZLQYYSIUKOROX-SNVBAGLBSA-N 1 0 206.293 0.518 10 0 BCAERO C[N@@H+]1CC[C@H](CNC(=O)c2csc(N)n2)C1 ZINC000055186837 173147631 /nfs/dbraw/zinc/14/76/31/173147631.db2.gz JITFVBDJLKLYLX-SSDOTTSWSA-N 1 0 240.332 0.407 10 0 BCAERO C[N@@H+]1CC[C@H](NC(=O)Cc2cccc(O)c2)C1 ZINC000042549459 173149744 /nfs/dbraw/zinc/14/97/44/173149744.db2.gz UUFFCAHUDPNRLD-NSHDSACASA-N 1 0 234.299 0.755 10 0 BCAERO CN1CCc2sc([C@@H](O)C[NH3+])nc2C1 ZINC000076166587 173175805 /nfs/dbraw/zinc/17/58/05/173175805.db2.gz HNMMKGWRNPBGMI-ZETCQYMHSA-N 1 0 213.306 0.123 10 0 BCAERO CN1CC[C@H]([NH2+]CC(=O)N2CCCCCC2)C1 ZINC000042547646 173151575 /nfs/dbraw/zinc/15/15/75/173151575.db2.gz IRALBDPILDBABP-LBPRGKRZSA-N 1 0 239.363 0.683 10 0 BCAERO CN1CC[C@H]([NH2+]CCC(=O)N2CCCC2)C1 ZINC000061984757 173152428 /nfs/dbraw/zinc/15/24/28/173152428.db2.gz KFFICHDEFGYZSH-NSHDSACASA-N 1 0 225.336 0.293 10 0 BCAERO C[N@@H+]1CC[C@H](Nc2nnnn2-c2ccccc2)C1 ZINC000042548205 173156326 /nfs/dbraw/zinc/15/63/26/173156326.db2.gz RWSGSWQFJKRZPB-JTQLQIEISA-N 1 0 244.302 0.778 10 0 BCAERO CN1CC[C@](CN)([NH+]2CCCCCC2)C1 ZINC000061990023 173162799 /nfs/dbraw/zinc/16/27/99/173162799.db2.gz DNLFQNTYXKAJJJ-GFCCVEGCSA-N 1 0 211.353 0.895 10 0 BCAERO CN1CC[C@](CN)([N@H+](C)C2CCCC2)C1 ZINC000061990179 173163106 /nfs/dbraw/zinc/16/31/06/173163106.db2.gz GTVBZKBSICTFDH-GFCCVEGCSA-N 1 0 211.353 0.894 10 0 BCAERO CN1CC[C@](CO)([NH2+]Cc2ccccc2)C1 ZINC000061992077 173163541 /nfs/dbraw/zinc/16/35/41/173163541.db2.gz XBAWTYVQNNXNHJ-ZDUSSCGKSA-N 1 0 220.316 0.843 10 0 BCAERO CN1CCc2cc(C[C@H](C[NH3+])C(N)=O)ccc21 ZINC000050285961 173169469 /nfs/dbraw/zinc/16/94/69/173169469.db2.gz BNZCRSRWHGJPJW-LLVKDONJSA-N 1 0 233.315 0.282 10 0 BCAERO CN1CCc2nc([C@H]([NH3+])CO)sc2C1 ZINC000076136102 173173205 /nfs/dbraw/zinc/17/32/05/173173205.db2.gz GDEJEXWJZOMEFB-ZCFIWIBFSA-N 1 0 213.306 0.123 10 0 BCAERO C[N@H+]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H](C1)N2 ZINC000071624040 173198570 /nfs/dbraw/zinc/19/85/70/173198570.db2.gz CWJXZSJCSLGNMK-AOOOYVTPSA-N 1 0 241.335 0.509 10 0 BCAERO CNC(=O)C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000303037445 173223343 /nfs/dbraw/zinc/22/33/43/173223343.db2.gz IEWFIWRAXBSXAS-RYUDHWBXSA-N 1 0 240.347 0.748 10 0 BCAERO CNC(=O)C1CCN([C@H]2CCC[C@H]2[NH3+])CC1 ZINC000042489248 173223393 /nfs/dbraw/zinc/22/33/93/173223393.db2.gz IFBFKMVITOJJLK-MNOVXSKESA-N 1 0 225.336 0.324 10 0 BCAERO CNC(=O)C1CCN([C@@H]2CCC[C@@H]2[NH3+])CC1 ZINC000042489245 173224723 /nfs/dbraw/zinc/22/47/23/173224723.db2.gz IFBFKMVITOJJLK-WDEREUQCSA-N 1 0 225.336 0.324 10 0 BCAERO CNC(=O)CC[N@H+](C)[C@]1(CN)CCC[C@@H](C)C1 ZINC000051757790 173250599 /nfs/dbraw/zinc/25/05/99/173250599.db2.gz VYIKKONCHJGBHL-DGCLKSJQSA-N 1 0 241.379 0.962 10 0 BCAERO CNC(=O)CCNC(=O)[C@@H]1CCC[C@@H](C[NH3+])C1 ZINC000055162881 173256748 /nfs/dbraw/zinc/25/67/48/173256748.db2.gz HFRIVPDYPRWBPO-NXEZZACHSA-N 1 0 241.335 0.004 10 0 BCAERO CNC(=O)CC[NH2+][C@@H]1CCCC[C@@H]1O ZINC000044993834 173261208 /nfs/dbraw/zinc/26/12/08/173261208.db2.gz QTEDICOMMXIZCH-BDAKNGLRSA-N 1 0 200.282 0.016 10 0 BCAERO CNC(=O)CN(C)c1cccc(Cl)c1C[NH3+] ZINC000037271352 173271330 /nfs/dbraw/zinc/27/13/30/173271330.db2.gz OSEPAAIUQGTPEF-UHFFFAOYSA-N 1 0 241.722 0.981 10 0 BCAERO CNC(=O)CN(C)c1ccccc1C[NH3+] ZINC000037269452 173272689 /nfs/dbraw/zinc/27/26/89/173272689.db2.gz MNKLFWSSMULVIN-UHFFFAOYSA-N 1 0 207.277 0.328 10 0 BCAERO CNC(=O)CN(C)c1ccc(Cl)cc1C[NH3+] ZINC000052856706 173272697 /nfs/dbraw/zinc/27/26/97/173272697.db2.gz KLAVMVGABSHFQK-UHFFFAOYSA-N 1 0 241.722 0.981 10 0 BCAERO CNC(=O)C[NH2+][C@@H](C)c1ccc(O)cc1 ZINC000037224859 173278066 /nfs/dbraw/zinc/27/80/66/173278066.db2.gz KJKKHFNHTXYKHY-QMMMGPOBSA-N 1 0 208.261 0.789 10 0 BCAERO CNC(=O)Cc1ccccc1NC(=O)[C@@H](C)[NH3+] ZINC000037020710 173283611 /nfs/dbraw/zinc/28/36/11/173283611.db2.gz QGKDFVLFYPACLB-MRVPVSSYSA-N 1 0 235.287 0.261 10 0 BCAERO CNC(=O)Cn1ccc2c1CCC[C@H]2[NH3+] ZINC000041729924 173283943 /nfs/dbraw/zinc/28/39/43/173283943.db2.gz CSJIWZSLSBUNCN-SECBINFHSA-N 1 0 207.277 0.570 10 0 BCAERO CNC(=O)Cn1c(N)nc2c1cccc2F ZINC000037421462 173283955 /nfs/dbraw/zinc/28/39/55/173283955.db2.gz SVFUXBXILWHPTR-UHFFFAOYSA-N 1 0 222.223 0.504 10 0 BCAERO CNC(=O)NC(=O)[C@@H](C)[NH2+]Cc1cccnc1 ZINC000020302871 173288095 /nfs/dbraw/zinc/28/80/95/173288095.db2.gz PAZNTSHHJIEUGD-MRVPVSSYSA-N 1 0 236.275 0.015 10 0 BCAERO CNC(=O)[C@@H](C)N(C)c1cccc(C[NH3+])c1 ZINC000061951419 173294452 /nfs/dbraw/zinc/29/44/52/173294452.db2.gz QCOLZQIKXHXQOA-SECBINFHSA-N 1 0 221.304 0.716 10 0 BCAERO CNC(=O)[C@@H](C)[NH2+][C@@H](C)C(=O)NCCC(C)C ZINC000042563009 173295030 /nfs/dbraw/zinc/29/50/30/173295030.db2.gz RFSZWQQAPGFBSN-ZJUUUORDSA-N 1 0 243.351 0.261 10 0 BCAERO CNC(=O)[C@@H](C)[NH2+]C[C@@H]1CCCCO1 ZINC000042319974 173295327 /nfs/dbraw/zinc/29/53/27/173295327.db2.gz KOCFLKPUNVVTAA-BDAKNGLRSA-N 1 0 200.282 0.280 10 0 BCAERO CNC(=O)[C@@H](C)Oc1cccc(F)c1C[NH3+] ZINC000036307340 173296008 /nfs/dbraw/zinc/29/60/08/173296008.db2.gz MZJLSNNPGJPRJB-SSDOTTSWSA-N 1 0 226.251 0.798 10 0 BCAERO CNC(=O)[C@@H](CC(C)C)NC(=O)C[NH2+]C(C)C ZINC000037609852 173296452 /nfs/dbraw/zinc/29/64/52/173296452.db2.gz JTBICKAIPCBTCA-SNVBAGLBSA-N 1 0 243.351 0.261 10 0 BCAERO CNC(=O)[C@@H](CC(C)C)NC1CC[NH2+]CC1 ZINC000038041423 173296477 /nfs/dbraw/zinc/29/64/77/173296477.db2.gz VNIBVMKZONJRPO-LLVKDONJSA-N 1 0 227.352 0.489 10 0 BCAERO CNC(=O)[C@H](C)NC(=O)[C@@H]1[C@H](C)CCC[C@H]1[NH3+] ZINC000055140579 173302274 /nfs/dbraw/zinc/30/22/74/173302274.db2.gz VSLOCOSZDHCNQX-UTINFBMNSA-N 1 0 241.335 0.001 10 0 BCAERO CNC(=O)[C@H](C)NCCC[N@@H+]1CCCC[C@H]1C ZINC000036803765 173302311 /nfs/dbraw/zinc/30/23/11/173302311.db2.gz MRJYPARXZXQOMG-NEPJUHHUSA-N 1 0 241.379 0.975 10 0 BCAERO CNC(=O)[C@H](C)[NH2+][C@@H](C)c1cn(C)nc1C ZINC000083569618 173303172 /nfs/dbraw/zinc/30/31/72/173303172.db2.gz XUOBPAKAQIAYQJ-CBAPKCEASA-N 1 0 224.308 0.514 10 0 BCAERO CNC(=O)[C@H](C)[NH2+]Cc1ccc(C)nc1 ZINC000062053166 173303227 /nfs/dbraw/zinc/30/32/27/173303227.db2.gz SYDUHKVBUFAKLD-VIFPVBQESA-N 1 0 207.277 0.614 10 0 BCAERO CNC(=O)[C@H](C)Nc1[nH+]cc(N)cc1C ZINC000052813096 173304116 /nfs/dbraw/zinc/30/41/16/173304116.db2.gz KQQIPIVJWIIEDF-ZETCQYMHSA-N 1 0 208.265 0.519 10 0 BCAERO CNC(=O)[C@H](C[NH3+])CC1CCOCC1 ZINC000052175752 173304827 /nfs/dbraw/zinc/30/48/27/173304827.db2.gz RIFHLLAEDJGDQQ-VIFPVBQESA-N 1 0 200.282 0.124 10 0 BCAERO CNC(=O)[C@H]1CCCCN1C1CC[NH2+]CC1 ZINC000042422741 173305981 /nfs/dbraw/zinc/30/59/81/173305981.db2.gz ZQHPLLROWZYIOS-LLVKDONJSA-N 1 0 225.336 0.339 10 0 BCAERO CNC(=O)c1cc(C[NH3+])c(OC2CC2)cn1 ZINC000095737930 173309430 /nfs/dbraw/zinc/30/94/30/173309430.db2.gz CCJKQNQVDWKVTD-UHFFFAOYSA-N 1 0 221.260 0.441 10 0 BCAERO CNC(=O)c1ccccc1NC(=O)[C@H]1CCC[NH2+]1 ZINC000019410538 173312711 /nfs/dbraw/zinc/31/27/11/173312711.db2.gz BXUYDDWQPJYVPI-LLVKDONJSA-N 1 0 247.298 0.737 10 0 BCAERO C[NH2+]C(C)(C)C(=O)N(CCO)C1CCCC1 ZINC000061317681 173317622 /nfs/dbraw/zinc/31/76/22/173317622.db2.gz JVJOHBUGTZZRNZ-UHFFFAOYSA-N 1 0 228.336 0.748 10 0 BCAERO C[NH2+]C(C)(C)C(=O)N[C@@H](CO)c1ccccc1 ZINC000063003586 173318258 /nfs/dbraw/zinc/31/82/58/173318258.db2.gz QXPVLFIAAHZEBY-NSHDSACASA-N 1 0 236.315 0.834 10 0 BCAERO C[NH2+]C(C)(C)C(=O)NCc1ccc(C)n1C ZINC000061300563 173318407 /nfs/dbraw/zinc/31/84/07/173318407.db2.gz AZTMXDMQHMNRRX-UHFFFAOYSA-N 1 0 223.320 0.948 10 0 BCAERO C[NH2+]C(C)(C)C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000061319255 173318438 /nfs/dbraw/zinc/31/84/38/173318438.db2.gz YOEMFJRQPGKVJU-BDAKNGLRSA-N 1 0 214.309 0.404 10 0 BCAERO C[NH2+]C(C)(C)C(=O)N1CCO[C@H]2CCC[C@@H]21 ZINC000061318977 173318461 /nfs/dbraw/zinc/31/84/61/173318461.db2.gz ICHFUBBTECJUJL-UWVGGRQHSA-N 1 0 226.320 0.764 10 0 BCAERO C[NH2+]C(C)(C)C(=O)NCc1cc(C)no1 ZINC000061319066 173318747 /nfs/dbraw/zinc/31/87/47/173318747.db2.gz USNAYNTVFDABDY-UHFFFAOYSA-N 1 0 211.265 0.597 10 0 BCAERO C[NH2+]C(C)(C)c1nnc2ccc(C)nn21 ZINC000061151294 173321004 /nfs/dbraw/zinc/32/10/04/173321004.db2.gz KHTJRTQQXQGYAE-UHFFFAOYSA-N 1 0 205.265 0.887 10 0 BCAERO C[NH2+]C1CCN(C[C@@H]2COCCO2)CC1 ZINC000038062671 173322507 /nfs/dbraw/zinc/32/25/07/173322507.db2.gz XTGQGYKKVTVTDG-LLVKDONJSA-N 1 0 214.309 0.086 10 0 BCAERO C[NH2+]C1CCN(C2CCS(=O)(=O)CC2)CC1 ZINC000036332119 173322788 /nfs/dbraw/zinc/32/27/88/173322788.db2.gz BXJKSMQLUNNHDR-UHFFFAOYSA-N 1 0 246.376 0.247 10 0 BCAERO C[NH2+]C1CCN(C[C@H]2COCCO2)CC1 ZINC000038062672 173322957 /nfs/dbraw/zinc/32/29/57/173322957.db2.gz XTGQGYKKVTVTDG-NSHDSACASA-N 1 0 214.309 0.086 10 0 BCAERO C[NH2+]C1CCN(CC(=O)NCCC(C)C)CC1 ZINC000049283595 173323453 /nfs/dbraw/zinc/32/34/53/173323453.db2.gz FDBSFTSFZXFIRI-UHFFFAOYSA-N 1 0 241.379 0.833 10 0 BCAERO C[NH2+]C1C[C@H]2CC[C@@H](C1)N2[C@@H](C)C(=O)N(C)C ZINC000054629730 173323613 /nfs/dbraw/zinc/32/36/13/173323613.db2.gz GULJEKFHIWFNBN-YEJSDXFRSA-N 1 0 239.363 0.678 10 0 BCAERO C[NH2+]C1CCN([C@H]2CCCCNC2=O)CC1 ZINC000037469334 173323654 /nfs/dbraw/zinc/32/36/54/173323654.db2.gz QRJRYUHWNIPGDO-NSHDSACASA-N 1 0 225.336 0.339 10 0 BCAERO C[NH2+]CC(=O)N(C)CCOc1cccc(F)c1 ZINC000037816432 173324352 /nfs/dbraw/zinc/32/43/52/173324352.db2.gz KXWHOYFDBRBWLG-UHFFFAOYSA-N 1 0 240.278 0.882 10 0 BCAERO C[NH2+]CC(=O)N1CCOC[C@@H]1c1ccc(C)o1 ZINC000193130682 173327027 /nfs/dbraw/zinc/32/70/27/173327027.db2.gz VTZARYYSXQVATB-SNVBAGLBSA-N 1 0 238.287 0.707 10 0 BCAERO C[NH2+]CC(=O)N1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000193132612 173328080 /nfs/dbraw/zinc/32/80/80/173328080.db2.gz NNSICPFDNCZHIQ-GHMZBOCLSA-N 1 0 236.319 0.512 10 0 BCAERO C[NH2+]CC(=O)NCCCc1cc(C)n(C)c1C ZINC000077374383 173329192 /nfs/dbraw/zinc/32/91/92/173329192.db2.gz ABORUKRUSBIXAI-UHFFFAOYSA-N 1 0 237.347 0.910 10 0 BCAERO C[NH2+]CC(=O)NC[C@H]1Cc2ccccc2O1 ZINC000038010067 173330243 /nfs/dbraw/zinc/33/02/43/173330243.db2.gz ZIJNHPKAZMAQIW-SNVBAGLBSA-N 1 0 220.272 0.326 10 0 BCAERO C[NH2+]CC(=O)NC[C@@H]1Cc2ccccc2O1 ZINC000038010066 173330750 /nfs/dbraw/zinc/33/07/50/173330750.db2.gz ZIJNHPKAZMAQIW-JTQLQIEISA-N 1 0 220.272 0.326 10 0 BCAERO C[NH2+]CC1(CN2CCO[C@@H](C)C2)CCOCC1 ZINC000052180863 173337669 /nfs/dbraw/zinc/33/76/69/173337669.db2.gz HDPYHGDHZPZNSA-LBPRGKRZSA-N 1 0 242.363 0.723 10 0 BCAERO C[NH2+]CCC(=O)N[C@@H](C)C(=O)N1CCCCC1 ZINC000043604699 173340715 /nfs/dbraw/zinc/34/07/15/173340715.db2.gz KZOQYWJERRRBBU-JTQLQIEISA-N 1 0 241.335 0.113 10 0 BCAERO C[NH2+]CCC(=O)N[C@H](C)[C@H]1CCCO1 ZINC000043600070 173341319 /nfs/dbraw/zinc/34/13/19/173341319.db2.gz XWNRSOZKLZNEOL-RKDXNWHRSA-N 1 0 200.282 0.280 10 0 BCAERO C[NH2+]CCCC(=O)N1CCO[C@@H](C)C1 ZINC000037477494 173343894 /nfs/dbraw/zinc/34/38/94/173343894.db2.gz HYISXRBDEYYJSH-VIFPVBQESA-N 1 0 200.282 0.233 10 0 BCAERO C[NH2+]CCCC(=O)NCc1c[nH]nc1C ZINC000038012132 173344816 /nfs/dbraw/zinc/34/48/16/173344816.db2.gz YMXXARSECLYKMO-UHFFFAOYSA-N 1 0 210.281 0.334 10 0 BCAERO C[NH2+]CCCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O ZINC000041054386 173346800 /nfs/dbraw/zinc/34/68/00/173346800.db2.gz BIGSPBBQYIHSJP-UWVGGRQHSA-N 1 0 222.288 0.547 10 0 BCAERO C[NH2+]CCCN1C(=O)c2cccnc2C1=O ZINC000041054396 173346895 /nfs/dbraw/zinc/34/68/95/173346895.db2.gz DOJGCAMVADJDOQ-UHFFFAOYSA-N 1 0 219.244 0.287 10 0 BCAERO C[NH2+]CCCc1nnc2nc(C)cc(C)n12 ZINC000036827884 173351035 /nfs/dbraw/zinc/35/10/35/173351035.db2.gz JMWDFXLYFGSPLI-UHFFFAOYSA-N 1 0 219.292 0.893 10 0 BCAERO C[NH2+]CCN1C(=O)CC2(CCCCC2)C1=O ZINC000054244921 173354594 /nfs/dbraw/zinc/35/45/94/173354594.db2.gz OOTXYTBCFMMHCH-UHFFFAOYSA-N 1 0 224.304 0.915 10 0 BCAERO C[NH2+]CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000105049941 173354620 /nfs/dbraw/zinc/35/46/20/173354620.db2.gz JHHHTPXNAVQVCR-RKDXNWHRSA-N 1 0 210.277 0.381 10 0 BCAERO C[NH2+]CCOCCc1ccc2[nH]c(=O)oc2c1 ZINC000077372315 173356578 /nfs/dbraw/zinc/35/65/78/173356578.db2.gz HJEJNLJOVXJCLS-UHFFFAOYSA-N 1 0 236.271 0.900 10 0 BCAERO C[NH2+]CCS(=O)(=O)N1CCCCC1 ZINC000049629859 173357566 /nfs/dbraw/zinc/35/75/66/173357566.db2.gz FBDBEIWCRFXQOA-UHFFFAOYSA-N 1 0 206.311 0.022 10 0 BCAERO C[NH2+]CCS(=O)(=O)N1Cc2ccccc2C1 ZINC000050912723 173357674 /nfs/dbraw/zinc/35/76/74/173357674.db2.gz VEHUMQMXVVWVKV-UHFFFAOYSA-N 1 0 240.328 0.551 10 0 BCAERO C[NH2+]CCS(=O)(=O)N1CCC(C)CC1 ZINC000049629820 173357772 /nfs/dbraw/zinc/35/77/72/173357772.db2.gz ZMHOGYRQJCZVII-UHFFFAOYSA-N 1 0 220.338 0.268 10 0 BCAERO C[NH2+]CCc1noc(-c2ccccn2)n1 ZINC000051850819 173361680 /nfs/dbraw/zinc/36/16/80/173361680.db2.gz OHIUYKWLDIONAX-UHFFFAOYSA-N 1 0 204.233 0.894 10 0 BCAERO C[NH2+]C[C@@H](C(C)C)N1CCCOCC1 ZINC000061936210 173361807 /nfs/dbraw/zinc/36/18/07/173361807.db2.gz RDGNBUHHZPQWLH-NSHDSACASA-N 1 0 200.326 0.953 10 0 BCAERO C[NH2+]CCc1nnc2nc(C)cc(C)n12 ZINC000043598854 173361877 /nfs/dbraw/zinc/36/18/77/173361877.db2.gz DFFPBYRKLFQVQS-UHFFFAOYSA-N 1 0 205.265 0.503 10 0 BCAERO C[NH2+]C[C@@H](C(C)C)N1CCS(=O)CC1 ZINC000052516028 173361975 /nfs/dbraw/zinc/36/19/75/173361975.db2.gz DVBFOTCKYHTVLA-JTQLQIEISA-N 1 0 218.366 0.295 10 0 BCAERO C[NH2+]C[C@@H](C)C(=O)/N=c1/sccn1C ZINC000237274437 173362930 /nfs/dbraw/zinc/36/29/30/173362930.db2.gz LATXEHJATBMVFA-UQHWUIMISA-N 1 0 213.306 0.369 10 0 BCAERO C[NH2+]C[C@@H](C)Oc1ncnc2c1CCC2 ZINC000061278139 173364486 /nfs/dbraw/zinc/36/44/86/173364486.db2.gz CYDHTLPNGQYRME-MRVPVSSYSA-N 1 0 207.277 0.952 10 0 BCAERO C[NH2+]C[C@@H](C)N1CCN(c2nccs2)CC1 ZINC000052417609 173364595 /nfs/dbraw/zinc/36/45/95/173364595.db2.gz FSMNMBXDOUFUQM-SNVBAGLBSA-N 1 0 240.376 0.873 10 0 BCAERO C[NH2+]C[C@@H](O)CN(C)Cc1ccccc1 ZINC000019685162 173365048 /nfs/dbraw/zinc/36/50/48/173365048.db2.gz KBLZOJSCSKZPNK-GFCCVEGCSA-N 1 0 208.305 0.699 10 0 BCAERO C[NH2+]C[C@@H](O)CN1CCCCCCC1=O ZINC000019864422 173365170 /nfs/dbraw/zinc/36/51/70/173365170.db2.gz IAIQTSGUDDZAPE-SNVBAGLBSA-N 1 0 214.309 0.359 10 0 BCAERO C[NH2+]C[C@@H](O)COCCOc1ccccc1 ZINC000019864885 173365478 /nfs/dbraw/zinc/36/54/78/173365478.db2.gz GSJDHUVPRPSVHE-LLVKDONJSA-N 1 0 225.288 0.662 10 0 BCAERO C[NH2+]C[C@@H](O)c1ccccc1OCCOC ZINC000032015007 173366323 /nfs/dbraw/zinc/36/63/23/173366323.db2.gz PLICACSTMDLVHH-LLVKDONJSA-N 1 0 225.288 0.965 10 0 BCAERO C[NH2+]C[C@@H](c1ccco1)N1CCOCC1 ZINC000075825423 173367076 /nfs/dbraw/zinc/36/70/76/173367076.db2.gz VPYBNRLVMWEJHV-JTQLQIEISA-N 1 0 210.277 0.872 10 0 BCAERO C[NH2+]C[C@@H]1CC[C@@H](CN2CCOCC2)O1 ZINC000052377918 173371536 /nfs/dbraw/zinc/37/15/36/173371536.db2.gz ATRRECAGFPPINA-QWRGUYRKSA-N 1 0 214.309 0.086 10 0 BCAERO C[NH2+]C[C@H](C)C(=O)N1[C@@H](C)COC[C@@H]1C ZINC000237294024 173373902 /nfs/dbraw/zinc/37/39/02/173373902.db2.gz ZRDRIALLJORKIR-GUBZILKMSA-N 1 0 214.309 0.478 10 0 BCAERO C[NH2+]C[C@@H]1CC[C@H](Cn2nc(C)nc2C)O1 ZINC000052574473 173371367 /nfs/dbraw/zinc/37/13/67/173371367.db2.gz ODWVXHHPSRKTFM-WDEREUQCSA-N 1 0 224.308 0.662 10 0 BCAERO C[NH2+]C[C@@H]1CN(CCCOC)C(=O)O1 ZINC000077297267 173371784 /nfs/dbraw/zinc/37/17/84/173371784.db2.gz UHICBTLQDRALIT-MRVPVSSYSA-N 1 0 202.254 0.063 10 0 BCAERO C[NH2+]C[C@@H]1C[C@@H](F)CN1Cc1cnn(C)c1 ZINC000238851228 173372082 /nfs/dbraw/zinc/37/20/82/173372082.db2.gz FVLHUCNDNCEVRO-MNOVXSKESA-N 1 0 226.299 0.552 10 0 BCAERO C[NH2+]C[C@H](C(C)C)N1CCS(=O)CC1 ZINC000052516026 173373068 /nfs/dbraw/zinc/37/30/68/173373068.db2.gz DVBFOTCKYHTVLA-SNVBAGLBSA-N 1 0 218.366 0.295 10 0 BCAERO C[NH2+]C[C@H](O)CN(C)c1cccc(C(C)=O)c1 ZINC000077372745 173375910 /nfs/dbraw/zinc/37/59/10/173375910.db2.gz KRWYOJWJLJNSQT-ZDUSSCGKSA-N 1 0 236.315 0.906 10 0 BCAERO C[NH2+]C[C@H](O)CN(C)Cc1ccccc1 ZINC000019685163 173375920 /nfs/dbraw/zinc/37/59/20/173375920.db2.gz KBLZOJSCSKZPNK-LBPRGKRZSA-N 1 0 208.305 0.699 10 0 BCAERO C[NH2+]C[C@H](O)CN(C)CCc1ccccn1 ZINC000019864149 173376092 /nfs/dbraw/zinc/37/60/92/173376092.db2.gz IXMLGNKRMJHPKW-LBPRGKRZSA-N 1 0 223.320 0.136 10 0 BCAERO C[NH2+]C[C@H](O)CN1CCc2ccccc2C1 ZINC000019685161 173376477 /nfs/dbraw/zinc/37/64/77/173376477.db2.gz GUBIEJAOPUWHFA-ZDUSSCGKSA-N 1 0 220.316 0.625 10 0 BCAERO C[NH2+]C[C@H](O)Cn1cnc2sccc2c1=O ZINC000019864359 173376670 /nfs/dbraw/zinc/37/66/70/173376670.db2.gz GBUSCCCVIVWGPC-ZETCQYMHSA-N 1 0 239.300 0.038 10 0 BCAERO C[NH2+]C[C@H](O)COC[C@H]1CCCCO1 ZINC000019864951 173376936 /nfs/dbraw/zinc/37/69/36/173376936.db2.gz LQYIMEZTBTVYKU-VHSXEESVSA-N 1 0 203.282 0.152 10 0 BCAERO C[NH2+]C[C@H](O)c1ccc(OC(C)=O)cc1 ZINC000062721163 173377421 /nfs/dbraw/zinc/37/74/21/173377421.db2.gz ZOFHIJNMLWVMLQ-NSHDSACASA-N 1 0 209.245 0.865 10 0 BCAERO C[NH2+]C[C@H]1CC12CCS(=O)(=O)CC2 ZINC000054589827 173377923 /nfs/dbraw/zinc/37/79/23/173377923.db2.gz FIDZLUAUIXLJEV-MRVPVSSYSA-N 1 0 203.307 0.421 10 0 BCAERO C[NH2+]C[C@H]1CCCN(Cc2cnccn2)C1 ZINC000040600652 173379091 /nfs/dbraw/zinc/37/90/91/173379091.db2.gz NTZZWZJIOLEWFI-LLVKDONJSA-N 1 0 220.320 0.908 10 0 BCAERO C[NH2+]C[C@H]1CCN(C(=O)CCn2ccnc2)C1 ZINC000071143881 173380458 /nfs/dbraw/zinc/38/04/58/173380458.db2.gz MITBTEKRTYOWTL-LLVKDONJSA-N 1 0 236.319 0.341 10 0 BCAERO C[NH2+]C[C@H]1CCN(Cc2cc(=O)c(O)co2)C1 ZINC000071145439 173381487 /nfs/dbraw/zinc/38/14/87/173381487.db2.gz XVKNKNLDEKWARO-SECBINFHSA-N 1 0 238.287 0.387 10 0 BCAERO C[NH2+]C[C@H]1CCN([C@]2(C)CCS(=O)(=O)C2)C1 ZINC000053033971 173382045 /nfs/dbraw/zinc/38/20/45/173382045.db2.gz WOYVZDLXXGQJJH-GHMZBOCLSA-N 1 0 246.376 0.105 10 0 BCAERO C[NH2+]C[C@H]1CC[C@H](Cn2ccnc2C)O1 ZINC000052576177 173382703 /nfs/dbraw/zinc/38/27/03/173382703.db2.gz PRPKSSOFHFBZNH-GHMZBOCLSA-N 1 0 209.293 0.959 10 0 BCAERO C[NH2+]C[C@H]1CC[C@@H](Cn2cc(C)cn2)O1 ZINC000052576974 173382802 /nfs/dbraw/zinc/38/28/02/173382802.db2.gz BAQQKCNECSNFHH-MNOVXSKESA-N 1 0 209.293 0.959 10 0 BCAERO C[NH2+]Cc1cc(C)nc(-c2ncccn2)n1 ZINC000054830853 173385854 /nfs/dbraw/zinc/38/58/54/173385854.db2.gz KNZMCELDTROGRP-UHFFFAOYSA-N 1 0 215.260 0.961 10 0 BCAERO C[NH2+]Cc1ccnc(-c2ncccn2)n1 ZINC000054791199 173391271 /nfs/dbraw/zinc/39/12/71/173391271.db2.gz MIBJVAMADBXJNI-UHFFFAOYSA-N 1 0 201.233 0.653 10 0 BCAERO C[NH2+]Cc1cnc(CS(C)(=O)=O)s1 ZINC000052789300 173392075 /nfs/dbraw/zinc/39/20/75/173392075.db2.gz VFLRGZGFWTUSLK-UHFFFAOYSA-N 1 0 220.319 0.407 10 0 BCAERO C[NH2+]Cc1cnn(-c2nc(C)cc(C)n2)c1 ZINC000040932375 173393985 /nfs/dbraw/zinc/39/39/85/173393985.db2.gz GAYRNCAVBRRLPN-UHFFFAOYSA-N 1 0 217.276 0.999 10 0 BCAERO C[NH2+]Cc1nnc(-c2cccnc2OC)o1 ZINC000061446874 173397797 /nfs/dbraw/zinc/39/77/97/173397797.db2.gz BRMJAQFAOKJNGE-UHFFFAOYSA-N 1 0 220.232 0.860 10 0 BCAERO C[NH2+]Cc1nccn1CC(=O)N1CCCC1 ZINC000051004636 173398057 /nfs/dbraw/zinc/39/80/57/173398057.db2.gz VGFOEQOEFNOUQB-UHFFFAOYSA-N 1 0 222.292 0.225 10 0 BCAERO C[NH2+]Cc1nnnn1-c1ccc(F)c(F)c1F ZINC000054744909 173398425 /nfs/dbraw/zinc/39/84/25/173398425.db2.gz PRZYGXVEKNSHKF-UHFFFAOYSA-N 1 0 243.192 0.799 10 0 BCAERO C[NH2+]Cc1nnnn1-c1ccc(F)c(F)c1 ZINC000054744944 173398459 /nfs/dbraw/zinc/39/84/59/173398459.db2.gz QMMMKKAUVLBYHJ-UHFFFAOYSA-N 1 0 225.202 0.660 10 0 BCAERO C[NH2+]Cc1nnnn1-c1ccc(C)c(F)c1 ZINC000054744375 173399118 /nfs/dbraw/zinc/39/91/18/173399118.db2.gz BMMRYXPGPVWEHM-UHFFFAOYSA-N 1 0 221.239 0.829 10 0 BCAERO C[NH2+]Cc1oc(Cn2cncn2)cc1C ZINC000052575296 173399922 /nfs/dbraw/zinc/39/99/22/173399922.db2.gz KMOOLZLWAHZHNQ-UHFFFAOYSA-N 1 0 206.249 0.947 10 0 BCAERO C[NH2+][C@H](C)C(=O)Nc1ccc2c(c1)C(=O)NC2=O ZINC000054071831 173444883 /nfs/dbraw/zinc/44/48/83/173444883.db2.gz KQMAPOPOQKQJTR-ZCFIWIBFSA-N 1 0 247.254 0.117 10 0 BCAERO C[NH2+][C@H]1c2ccccc2C[C@H]1S(C)(=O)=O ZINC000054930223 173469239 /nfs/dbraw/zinc/46/92/39/173469239.db2.gz CKCMAFVSDWVHDZ-MNOVXSKESA-N 1 0 225.313 0.916 10 0 BCAERO COC(=O)C(C)(C)NC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054307287 173505447 /nfs/dbraw/zinc/50/54/47/173505447.db2.gz RQPGGNJCQPJKKH-VIFPVBQESA-N 1 0 242.319 0.444 10 0 BCAERO COC(=O)C1(NC2CCCC2)CC[NH2+]CC1 ZINC000040695426 173514664 /nfs/dbraw/zinc/51/46/64/173514664.db2.gz CZPIBHXXTSIPOU-UHFFFAOYSA-N 1 0 226.320 0.814 10 0 BCAERO COC(=O)CN(C(=O)[C@@H]1CCCC[NH2+]1)C(C)C ZINC000037812885 173570252 /nfs/dbraw/zinc/57/02/52/173570252.db2.gz KWCSWFPDXKDZHL-JTQLQIEISA-N 1 0 242.319 0.539 10 0 BCAERO COC(=O)[C@H]1CCCN1C(=O)CC[NH2+]C1CC1 ZINC000037804308 173811101 /nfs/dbraw/zinc/81/11/01/173811101.db2.gz MUMVCFLKIZDQDO-SNVBAGLBSA-N 1 0 240.303 0.293 10 0 BCAERO COC(=O)c1cc([C@@H](O)C[NH3+])ccc1O ZINC000027851807 173862209 /nfs/dbraw/zinc/86/22/09/173862209.db2.gz HWUSSICEWQGQSI-VIFPVBQESA-N 1 0 211.217 0.171 10 0 BCAERO COC(=O)c1ccccc1N(C)C[C@@H](O)C[NH3+] ZINC000077383868 173899935 /nfs/dbraw/zinc/89/99/35/173899935.db2.gz FDVORFNSFAMJRX-VIFPVBQESA-N 1 0 238.287 0.229 10 0 BCAERO COC(=O)c1ccccc1N(C)C[C@H](O)C[NH3+] ZINC000077383866 173900173 /nfs/dbraw/zinc/90/01/73/173900173.db2.gz FDVORFNSFAMJRX-SECBINFHSA-N 1 0 238.287 0.229 10 0 BCAERO COC(C[NH2+]C1CCC2(CC1)OCCO2)OC ZINC000037566594 173961982 /nfs/dbraw/zinc/96/19/82/173961982.db2.gz RYRRLAOHXZGNDP-UHFFFAOYSA-N 1 0 245.319 0.881 10 0 BCAERO CC(C)[NH2+]CC(=O)N1CCC([C@H](C)O)CC1 ZINC000232660564 487627794 /nfs/dbraw/zinc/62/77/94/487627794.db2.gz LAPVKTCFXSDYQR-JTQLQIEISA-N 1 0 228.336 0.604 10 0 BCAERO COC1CCN(C(=O)C2(C[NH3+])CC2)CC1 ZINC000082641896 174024481 /nfs/dbraw/zinc/02/44/81/174024481.db2.gz PMARFAUIAOQWMH-UHFFFAOYSA-N 1 0 212.293 0.363 10 0 BCAERO CO[C@@H]1C[NH2+][C@@H](CN2CCC(OC)CC2)C1 ZINC000040637486 174028638 /nfs/dbraw/zinc/02/86/38/174028638.db2.gz CKVFWRKOWMITAV-PWSUYJOCSA-N 1 0 228.336 0.474 10 0 BCAERO COC1CC[NH+]([C@@H](CN)C2CCOCC2)CC1 ZINC000052176998 174030063 /nfs/dbraw/zinc/03/00/63/174030063.db2.gz GNVSRDSUUVVKRP-ZDUSSCGKSA-N 1 0 242.363 0.851 10 0 BCAERO COCC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000070266284 174042186 /nfs/dbraw/zinc/04/21/86/174042186.db2.gz JENOFUAOIPBPNQ-JTQLQIEISA-N 1 0 212.293 0.330 10 0 BCAERO COCC(=O)Nc1ccc(N2CC[NH2+]CC2)cc1 ZINC000011570319 174059775 /nfs/dbraw/zinc/05/97/75/174059775.db2.gz SKOKOZDMJHPTNU-UHFFFAOYSA-N 1 0 249.314 0.681 10 0 BCAERO Cc1cnn(CCNC(=O)C[NH2+]C(C)C)c1 ZINC000232664589 487627952 /nfs/dbraw/zinc/62/79/52/487627952.db2.gz ZAGZQYHWNYQPNI-UHFFFAOYSA-N 1 0 224.308 0.306 10 0 BCAERO COCCC[N@H+](C)C[C@@H](NC(C)C)C(=O)OC ZINC000062034828 174216774 /nfs/dbraw/zinc/21/67/74/174216774.db2.gz DTQBLJNYYYPAKJ-LLVKDONJSA-N 1 0 246.351 0.494 10 0 BCAERO COCCCN(CCOC)[C@]1(C[NH3+])CCOC1 ZINC000104072109 174226629 /nfs/dbraw/zinc/22/66/29/174226629.db2.gz BQVLGNMTBMQBKY-LBPRGKRZSA-N 1 0 246.351 0.089 10 0 BCAERO COCCCN1CCCN(CC[NH3+])C1=O ZINC000077307434 174228037 /nfs/dbraw/zinc/22/80/37/174228037.db2.gz YMUUZEOREMYSFD-UHFFFAOYSA-N 1 0 215.297 0.109 10 0 BCAERO COCCCNC(=O)CN(CCC[NH3+])C(C)C ZINC000049282681 174237805 /nfs/dbraw/zinc/23/78/05/174237805.db2.gz FKNVHSNHAJKMJM-UHFFFAOYSA-N 1 0 245.367 0.198 10 0 BCAERO COCCCNC(=O)[C@H](C)OC[C@@H]1CC[NH2+]C1 ZINC000051888216 174244527 /nfs/dbraw/zinc/24/45/27/174244527.db2.gz YZXGYPXHPWQTMQ-WDEREUQCSA-N 1 0 244.335 0.154 10 0 BCAERO COCCCNC(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000055086833 174244675 /nfs/dbraw/zinc/24/46/75/174244675.db2.gz HGBDUHITRHSLRY-UWVGGRQHSA-N 1 0 214.309 0.657 10 0 BCAERO CC(C)(C)[C@@H](O)C[NH2+]C[C@@H](O)Cn1cccn1 ZINC000324538414 487628309 /nfs/dbraw/zinc/62/83/09/487628309.db2.gz REDZKEWPNIBXCA-MNOVXSKESA-N 1 0 241.335 0.241 10 0 BCAERO COCCN(C(=O)[C@H]1CCC[NH2+]1)[C@@H](C)COC ZINC000042610169 174269807 /nfs/dbraw/zinc/26/98/07/174269807.db2.gz JSQCNVQDSFOFJB-WDEREUQCSA-N 1 0 244.335 0.248 10 0 BCAERO COCCN(C)C(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000055090707 174273248 /nfs/dbraw/zinc/27/32/48/174273248.db2.gz UUKJUMVDRHSJAV-UWVGGRQHSA-N 1 0 214.309 0.609 10 0 BCAERO COCC[N@H+](C)CCCNC(=O)[C@@H](C)COC ZINC000103430394 174276258 /nfs/dbraw/zinc/27/62/58/174276258.db2.gz HXTAUZWRNDMFQX-NSHDSACASA-N 1 0 246.351 0.353 10 0 BCAERO COCCN(C)C[C@@]1(C[NH2+]C2CC2)CCOC1 ZINC000051258877 174279233 /nfs/dbraw/zinc/27/92/33/174279233.db2.gz GMRMATPHOJNFFV-ZDUSSCGKSA-N 1 0 242.363 0.723 10 0 BCAERO COCCN(CC(C)C)C[C@@H]1C[C@H](OC)C[NH2+]1 ZINC000042370834 174287199 /nfs/dbraw/zinc/28/71/99/174287199.db2.gz XQEAGWSIAIFITC-STQMWFEESA-N 1 0 244.379 0.968 10 0 BCAERO COCCN(Cc1ccncc1)C(=O)C[NH3+] ZINC000076611462 174300734 /nfs/dbraw/zinc/30/07/34/174300734.db2.gz PCQMNHJTYCWMHV-UHFFFAOYSA-N 1 0 223.276 0.015 10 0 BCAERO COCC[N@H+]([C@@H](C)COC)[C@@H](C)CC(=O)OC ZINC000042608370 174302004 /nfs/dbraw/zinc/30/20/04/174302004.db2.gz BOMDGTOHXRRMPN-QWRGUYRKSA-N 1 0 247.335 0.921 10 0 BCAERO COCC[N@@H+]1CCN([C@@H](C)C(=O)OC)C[C@@H]1C ZINC000105913658 174309413 /nfs/dbraw/zinc/30/94/13/174309413.db2.gz PUYBCSZKSLDFGO-QWRGUYRKSA-N 1 0 244.335 0.200 10 0 BCAERO COCC[N@@H+]1CCN(Cc2c[nH]cn2)C[C@@H]1C ZINC000179509805 174310735 /nfs/dbraw/zinc/31/07/35/174310735.db2.gz VLRIEGNNUTURFF-NSHDSACASA-N 1 0 238.335 0.562 10 0 BCAERO COCCN1C[C@@H](C(C)C)[NH2+]C[C@@H]1C ZINC000082926455 174317484 /nfs/dbraw/zinc/31/74/84/174317484.db2.gz ZTUJWBMXZKXQGK-QWRGUYRKSA-N 1 0 200.326 0.951 10 0 BCAERO COCCNC(=O)[C@@H](C)OC[C@H]1CCCC[NH2+]1 ZINC000051815715 174325523 /nfs/dbraw/zinc/32/55/23/174325523.db2.gz QDIWVVPFBMZPNP-GHMZBOCLSA-N 1 0 244.335 0.296 10 0 BCAERO COCCNC(=O)[C@@H](C)[NH2+]CC[C@H]1CCCO1 ZINC000038097352 174325581 /nfs/dbraw/zinc/32/55/81/174325581.db2.gz SMCUIEPTXJZCAO-GHMZBOCLSA-N 1 0 244.335 0.296 10 0 BCAERO COCCNC(=O)[C@@H](C)[NH2+]C1CCCC1 ZINC000034937585 174325704 /nfs/dbraw/zinc/32/57/04/174325704.db2.gz ZZBUKDRYABCOCD-SECBINFHSA-N 1 0 214.309 0.670 10 0 BCAERO COCCNC(=O)[C@H](C)[NH2+]CC(C)(C)N(C)C ZINC000049857063 174327060 /nfs/dbraw/zinc/32/70/60/174327060.db2.gz NEATXZNJXJISDJ-JTQLQIEISA-N 1 0 245.367 0.067 10 0 BCAERO COCCNC(=O)c1ccc2c(c1)C[NH2+]CC2 ZINC000058084565 174328430 /nfs/dbraw/zinc/32/84/30/174328430.db2.gz ACUJNYXWFBZGOG-UHFFFAOYSA-N 1 0 234.299 0.709 10 0 BCAERO COCC[NH2+]CC(=O)N[C@H](C)C(C)C ZINC000042221668 174330737 /nfs/dbraw/zinc/33/07/37/174330737.db2.gz HRISCIFLFWUBRL-SECBINFHSA-N 1 0 202.298 0.383 10 0 BCAERO COCC[NH2+]CCN(C)c1nc(C)cc(C)n1 ZINC000053706030 174332043 /nfs/dbraw/zinc/33/20/43/174332043.db2.gz GEUCBKVXRAAPER-UHFFFAOYSA-N 1 0 238.335 0.766 10 0 BCAERO COCC[NH2+]CCNc1nccn2nc(C)cc12 ZINC000129951262 174332991 /nfs/dbraw/zinc/33/29/91/174332991.db2.gz LIDUSBXQDGCZSX-UHFFFAOYSA-N 1 0 249.318 0.686 10 0 BCAERO COCC[NH2+]CCNc1ncc(F)cn1 ZINC000128528856 174333796 /nfs/dbraw/zinc/33/37/96/174333796.db2.gz CQVJXDMNNFZYNT-UHFFFAOYSA-N 1 0 214.244 0.264 10 0 BCAERO COCC[NH2+]C[C@H](O)c1ccc(C)c(N)c1 ZINC000098124944 174334545 /nfs/dbraw/zinc/33/45/45/174334545.db2.gz SNBPWOQFBZQEFK-LBPRGKRZSA-N 1 0 224.304 0.847 10 0 BCAERO COCC[NH2+]C[C@@H]1C[C@H]1c1cnn(C)c1 ZINC000054598743 174334547 /nfs/dbraw/zinc/33/45/47/174334547.db2.gz QDNODPQJXDQJRA-GXSJLCMTSA-N 1 0 209.293 0.760 10 0 BCAERO COCC[NH2+]C[C@@H](O)c1cccc(N)c1 ZINC000098123944 174334671 /nfs/dbraw/zinc/33/46/71/174334671.db2.gz LGJNPWSMEWRPHH-LLVKDONJSA-N 1 0 210.277 0.538 10 0 BCAERO COCCN[C@](C)(C(N)=O)c1ccc(O)cc1 ZINC000053259364 174340631 /nfs/dbraw/zinc/34/06/31/174340631.db2.gz ZCSSXIJKTADLIN-LBPRGKRZSA-N 1 0 238.287 0.329 10 0 BCAERO COCCOCC(=O)N1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000234676643 174345154 /nfs/dbraw/zinc/34/51/54/174345154.db2.gz NUHVJKWXFITFHS-GHMZBOCLSA-N 1 0 244.335 0.235 10 0 BCAERO COCCOCCCNC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000091545584 174349672 /nfs/dbraw/zinc/34/96/72/174349672.db2.gz SSFMDGCHAXMFFD-MNOVXSKESA-N 1 0 244.335 0.283 10 0 BCAERO COCCOCCCNC(=O)[C@@H]1C[NH2+]C[C@@H]1C ZINC000104205153 174349688 /nfs/dbraw/zinc/34/96/88/174349688.db2.gz VUNLRLLMJPHBAM-WDEREUQCSA-N 1 0 244.335 0.011 10 0 BCAERO COCCOCCN1CC[C@@H](C[NH2+]C2CC2)C1 ZINC000053033869 174354982 /nfs/dbraw/zinc/35/49/82/174354982.db2.gz HWTIRGHKNFZWLV-LBPRGKRZSA-N 1 0 242.363 0.723 10 0 BCAERO COCCO[C@H]1CC2(CC[C@H]1[NH3+])OCCO2 ZINC000019279379 174366615 /nfs/dbraw/zinc/36/66/15/174366615.db2.gz HBBRYJHUNWQGKT-ZJUUUORDSA-N 1 0 231.292 0.272 10 0 BCAERO COC[C@@H](C)[NH2+]C1CCS(=O)CC1 ZINC000042335529 174456737 /nfs/dbraw/zinc/45/67/37/174456737.db2.gz BHCSUAXAYLBJFP-BGQFSCJGSA-N 1 0 205.323 0.522 10 0 BCAERO COC[C@H](C)CNC(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000055090217 174532187 /nfs/dbraw/zinc/53/21/87/174532187.db2.gz SUUYVWZOFPCXJO-VWYCJHECSA-N 1 0 228.336 0.903 10 0 BCAERO COC[C@H](O)CN(C)c1cc(C)ccc1C[NH3+] ZINC000051579631 174591554 /nfs/dbraw/zinc/59/15/54/174591554.db2.gz FZBLQBQZHSLFKA-GFCCVEGCSA-N 1 0 238.331 0.897 10 0 BCAERO COCc1cc(N2CC[C@H]([NH3+])C2)nc(C)n1 ZINC000045954676 174620097 /nfs/dbraw/zinc/62/00/97/174620097.db2.gz XMPQWIBKNZAQQW-VIFPVBQESA-N 1 0 222.292 0.469 10 0 BCAERO CO[C@H](C)C(=O)N[C@H]1CCC[NH2+][C@@H]1C ZINC000163821075 174807133 /nfs/dbraw/zinc/80/71/33/174807133.db2.gz GIKTUNFQLJXZKY-HLTSFMKQSA-N 1 0 200.282 0.278 10 0 BCAERO CO[C@H]1CN(CC[NH2+]C(C)(C)C)C[C@@H]1OC ZINC000234875037 174896867 /nfs/dbraw/zinc/89/68/67/174896867.db2.gz BPGKBMFPNPCOJO-QWRGUYRKSA-N 1 0 230.352 0.720 10 0 BCAERO CO[C@H]1C[NH2+]C[C@@H]1NC(=O)NC(C)(C)C ZINC000036263400 174898383 /nfs/dbraw/zinc/89/83/83/174898383.db2.gz HEUIXMQHMUCMNX-YUMQZZPRSA-N 1 0 215.297 0.071 10 0 BCAERO CO[C@H]1C[NH2+][C@H](C(=O)N(C)CC2CC2)C1 ZINC000042277018 174899410 /nfs/dbraw/zinc/89/94/10/174899410.db2.gz UXNXPKSUXVOUNY-ZJUUUORDSA-N 1 0 212.293 0.232 10 0 BCAERO CO[C@H]1C[NH2+]C[C@@H]1Nc1ccc(F)cn1 ZINC000041045483 174899476 /nfs/dbraw/zinc/89/94/76/174899476.db2.gz FKCXHIICNHRONC-IUCAKERBSA-N 1 0 211.240 0.619 10 0 BCAERO CO[C@H]1C[NH2+]C[C@H]1NC(=O)c1ccc(C)o1 ZINC000036235833 174899681 /nfs/dbraw/zinc/89/96/81/174899681.db2.gz WRFQZSLVMKSNGU-SCZZXKLOSA-N 1 0 224.260 0.305 10 0 BCAERO COc1cc(CC[NH3+])ccc1O[C@H](C)C(N)=O ZINC000037721471 174977586 /nfs/dbraw/zinc/97/75/86/174977586.db2.gz JWEBJXAFOCRDFA-MRVPVSSYSA-N 1 0 238.287 0.449 10 0 BCAERO COc1cc(CNC(=O)C(C)(C)C[NH3+])ccn1 ZINC000062073508 174982305 /nfs/dbraw/zinc/98/23/05/174982305.db2.gz ULYBMKFTJAJKAF-UHFFFAOYSA-N 1 0 237.303 0.691 10 0 BCAERO COc1cc(OC)c([C@H]([NH3+])CO)c(OC)c1 ZINC000038124722 175007840 /nfs/dbraw/zinc/00/78/40/175007840.db2.gz QDOZVDVPNJUHAD-MRVPVSSYSA-N 1 0 227.260 0.705 10 0 BCAERO COc1cc2ncn(CC[NH3+])c(=O)c2cc1OC ZINC000026466194 175028560 /nfs/dbraw/zinc/02/85/60/175028560.db2.gz PGFUWQSXVZJRQI-UHFFFAOYSA-N 1 0 249.270 0.372 10 0 BCAERO COc1ccc(-c2nnc(C[NH3+])[nH]2)cc1OC ZINC000061843844 175037644 /nfs/dbraw/zinc/03/76/44/175037644.db2.gz UVZKSXPNLIFRPW-UHFFFAOYSA-N 1 0 234.259 0.948 10 0 BCAERO COc1ccc(-n2nnnc2C[NH3+])cc1C ZINC000054762266 175046023 /nfs/dbraw/zinc/04/60/23/175046023.db2.gz AROATOQXGWDMFG-UHFFFAOYSA-N 1 0 219.248 0.438 10 0 BCAERO COc1ccc(C(N)=O)cc1NC(=O)[C@@H](C)[NH3+] ZINC000037046502 175069692 /nfs/dbraw/zinc/06/96/92/175069692.db2.gz IWTXCSBENBRLGL-ZCFIWIBFSA-N 1 0 237.259 0.080 10 0 BCAERO COc1ccc(C)cc1C(=O)NCC[NH3+] ZINC000052943295 175073386 /nfs/dbraw/zinc/07/33/86/175073386.db2.gz VPCGYPHEHHFORH-UHFFFAOYSA-N 1 0 208.261 0.692 10 0 BCAERO COc1ccc(CC(=O)N[C@H]2C[C@@H]2[NH3+])cc1 ZINC000036235105 175087619 /nfs/dbraw/zinc/08/76/19/175087619.db2.gz TXYUGLMZRGJXOH-QWRGUYRKSA-N 1 0 220.272 0.454 10 0 BCAERO COc1ccc(CC[NH2+]C[C@@H](O)CO)cc1 ZINC000041582130 175091605 /nfs/dbraw/zinc/09/16/05/175091605.db2.gz MTYUMENWMSGISI-LLVKDONJSA-N 1 0 225.288 0.181 10 0 BCAERO COc1ccc(CC[C@@H]([NH3+])CO)cc1OC ZINC000071532233 175092268 /nfs/dbraw/zinc/09/22/68/175092268.db2.gz CCJHIJGSKURTRU-SNVBAGLBSA-N 1 0 225.288 0.956 10 0 BCAERO COc1ccc(C[NH2+]CCO)cc1NC(C)=O ZINC000098126408 175106587 /nfs/dbraw/zinc/10/65/87/175106587.db2.gz WWFVPHZJXTVIMB-UHFFFAOYSA-N 1 0 238.287 0.736 10 0 BCAERO COc1ccc(F)c(F)c1[C@@H](N)C[NH3+] ZINC000044473117 175125843 /nfs/dbraw/zinc/12/58/43/175125843.db2.gz BMWIDCPECFGNEJ-LURJTMIESA-N 1 0 202.204 0.932 10 0 BCAERO COc1ccc(N(C)S(=O)(=O)CC[NH3+])cc1 ZINC000020261636 175135991 /nfs/dbraw/zinc/13/59/91/175135991.db2.gz QDCWGQMRBOTKSE-UHFFFAOYSA-N 1 0 244.316 0.420 10 0 BCAERO COc1ccc(N2CC[C@H](C[NH3+])C2)cn1 ZINC000019436165 175139327 /nfs/dbraw/zinc/13/93/27/175139327.db2.gz NGOMYBIESYATHQ-SECBINFHSA-N 1 0 207.277 0.875 10 0 BCAERO COc1ccc(N2CC[C@H]([NH3+])C2=O)cc1F ZINC000049648151 175139769 /nfs/dbraw/zinc/13/97/69/175139769.db2.gz GECCRPBIOGOYSL-VIFPVBQESA-N 1 0 224.235 0.898 10 0 BCAERO COc1ccc(N2C[C@H]([NH3+])CC2=O)c(OC)c1 ZINC000035679736 175140068 /nfs/dbraw/zinc/14/00/68/175140068.db2.gz DNWNTPZBRDGLSP-MRVPVSSYSA-N 1 0 236.271 0.768 10 0 BCAERO COc1ccc(N2C[C@H]([NH3+])CC2=O)cn1 ZINC000035679836 175140124 /nfs/dbraw/zinc/14/01/24/175140124.db2.gz BIMCSAIEHMHWCC-SSDOTTSWSA-N 1 0 207.233 0.154 10 0 BCAERO COc1ccc(NC[C@H](O)CC[NH3+])cc1 ZINC000071512257 175151571 /nfs/dbraw/zinc/15/15/71/175151571.db2.gz GOZQJEIJRURZDT-SNVBAGLBSA-N 1 0 210.277 0.817 10 0 BCAERO COc1ccc(OC)c(C2(C[NH3+])OCCO2)c1 ZINC000049829579 175164400 /nfs/dbraw/zinc/16/44/00/175164400.db2.gz ARALLXWCARIHGL-UHFFFAOYSA-N 1 0 239.271 0.862 10 0 BCAERO COc1ccc(OC)c2c1CC[C@@]2(O)C[NH3+] ZINC000019727376 175170316 /nfs/dbraw/zinc/17/03/16/175170316.db2.gz LHJUVMPAZDUVJO-GFCCVEGCSA-N 1 0 223.272 0.796 10 0 BCAERO COc1ccc(OCCNCC[NH3+])cc1 ZINC000019732705 175172812 /nfs/dbraw/zinc/17/28/12/175172812.db2.gz HNKXGWVLRRZXDX-UHFFFAOYSA-N 1 0 210.277 0.622 10 0 BCAERO C[C@@H]([NH3+])C[C@@H](C)Nc1nccn2cnnc12 ZINC000165742741 487630046 /nfs/dbraw/zinc/63/00/46/487630046.db2.gz MCQKLELUAKOGLK-HTQZYQBOSA-N 1 0 220.280 0.662 10 0 BCAERO COc1ccc([C@@H](CO)N2CC[NH2+]CC2)cc1 ZINC000038120851 175178906 /nfs/dbraw/zinc/17/89/06/175178906.db2.gz SZPPBADMADMVHK-CYBMUJFWSA-N 1 0 236.315 0.634 10 0 BCAERO COc1ccc([C@@H]([NH3+])CN2C(=O)CCC2=O)cc1 ZINC000019260956 175179810 /nfs/dbraw/zinc/17/98/10/175179810.db2.gz FZMVSSJCWNBLJF-NSHDSACASA-N 1 0 248.282 0.844 10 0 BCAERO COc1ccc([C@@H](N)C[NH3+])c(F)c1F ZINC000044473206 175179865 /nfs/dbraw/zinc/17/98/65/175179865.db2.gz QLKQJHAIKDVNOF-LURJTMIESA-N 1 0 202.204 0.932 10 0 BCAERO COc1ccc([C@H](C)[NH2+]CC(N)=O)cc1OC ZINC000022163788 175188767 /nfs/dbraw/zinc/18/87/67/175188767.db2.gz CZVTUUORPXRNFH-QMMMGPOBSA-N 1 0 238.287 0.840 10 0 BCAERO COc1ccc([C@H](C[NH3+])n2cncn2)cc1 ZINC000042962209 175191309 /nfs/dbraw/zinc/19/13/09/175191309.db2.gz YOXZXOAVKJUPAV-NSHDSACASA-N 1 0 218.260 0.835 10 0 BCAERO COc1ccc([C@H]([NH3+])Cn2cncn2)cc1OC ZINC000023067660 175191851 /nfs/dbraw/zinc/19/18/51/175191851.db2.gz KSLSZJHTKHOOFU-SNVBAGLBSA-N 1 0 248.286 0.995 10 0 BCAERO COc1ccc([C@H]2CNC(=O)[C@H]2[NH3+])cc1 ZINC000082932412 175195427 /nfs/dbraw/zinc/19/54/27/175195427.db2.gz LLTQPIZFMLBEAR-ZJUUUORDSA-N 1 0 206.245 0.236 10 0 BCAERO COc1ccc([C@H]2NC(=O)CC[C@H]2[NH3+])cc1 ZINC000057501525 175197667 /nfs/dbraw/zinc/19/76/67/175197667.db2.gz WLIUWMFFDRXEMU-ZYHUDNBSSA-N 1 0 220.272 0.974 10 0 BCAERO COc1ccc2c(c1)NC(=O)[C@H](C[NH3+])C2 ZINC000011982391 175211625 /nfs/dbraw/zinc/21/16/25/175211625.db2.gz HHJOOXNDPJNFAS-QMMMGPOBSA-N 1 0 206.245 0.765 10 0 BCAERO COc1cccc(C[NH2+]CCn2cncn2)n1 ZINC000276936820 175264735 /nfs/dbraw/zinc/26/47/35/175264735.db2.gz FHXDUIDPGJQKHH-UHFFFAOYSA-N 1 0 233.275 0.472 10 0 BCAERO COc1cccc(C[C@H]2C[NH2+]CCN2)c1 ZINC000071510119 175272225 /nfs/dbraw/zinc/27/22/25/175272225.db2.gz DRKUIOHLHFFGOP-NSHDSACASA-N 1 0 206.289 0.799 10 0 BCAERO COc1cccc(OCCNC(=O)C[NH3+])c1 ZINC000041244234 175283357 /nfs/dbraw/zinc/28/33/57/175283357.db2.gz IJLIHXVAKBXNAY-UHFFFAOYSA-N 1 0 224.260 0.149 10 0 BCAERO COc1cccc(OC[C@H](C[NH3+])N(C)C)c1 ZINC000020400018 175284417 /nfs/dbraw/zinc/28/44/17/175284417.db2.gz QQOTVZWZAQNEOQ-JTQLQIEISA-N 1 0 224.304 0.963 10 0 BCAERO COc1cccc([C@@H](C)[NH2+][C@@H]2CC(=O)NC2=O)c1 ZINC000103033833 175288038 /nfs/dbraw/zinc/28/80/38/175288038.db2.gz JYUZSPHXZBMFMF-LDYMZIIASA-N 1 0 248.282 0.761 10 0 BCAERO COc1cccc([C@@H](O)C[NH2+]CCCO)c1 ZINC000071695994 175288533 /nfs/dbraw/zinc/28/85/33/175288533.db2.gz GAEJGZZKARKQLY-LBPRGKRZSA-N 1 0 225.288 0.701 10 0 BCAERO COc1cccc([C@H](O)[C@@H]([NH3+])CO)c1OC ZINC000085275695 175294961 /nfs/dbraw/zinc/29/49/61/175294961.db2.gz LBONZSYOYYRPRI-WPRPVWTQSA-N 1 0 227.260 0.057 10 0 BCAERO COc1ccccc1CNC(=O)C1C[NH2+]C1 ZINC000084408153 175328838 /nfs/dbraw/zinc/32/88/38/175328838.db2.gz KPEIDEOVMQSNLN-UHFFFAOYSA-N 1 0 220.272 0.531 10 0 BCAERO COc1ccccc1OC[C@@H](O)CC[NH3+] ZINC000020399755 175341640 /nfs/dbraw/zinc/34/16/40/175341640.db2.gz IWTSUHKEIPCQEG-VIFPVBQESA-N 1 0 211.261 0.784 10 0 BCAERO COc1ccccc1OC[C@](C)(O)C[NH3+] ZINC000019667959 175341929 /nfs/dbraw/zinc/34/19/29/175341929.db2.gz HKWMQEDECNQTDI-LLVKDONJSA-N 1 0 211.261 0.784 10 0 BCAERO COc1ccccc1[C@H]([NH3+])CN1C(=O)CCC1=O ZINC000022564055 175353758 /nfs/dbraw/zinc/35/37/58/175353758.db2.gz HYGFRAHSXZNBMJ-SNVBAGLBSA-N 1 0 248.282 0.844 10 0 BCAERO COc1ccccc1[C@H](O)CN1CC[NH2+]CC1 ZINC000020264221 175354583 /nfs/dbraw/zinc/35/45/83/175354583.db2.gz NBOAKOGZWPDUAP-GFCCVEGCSA-N 1 0 236.315 0.634 10 0 BCAERO COc1nc(Cl)nc(O[C@H]2CCC[NH2+]C2)n1 ZINC000061515010 175392546 /nfs/dbraw/zinc/39/25/46/175392546.db2.gz GFHAOQVUUJNSLL-LURJTMIESA-N 1 0 244.682 0.664 10 0 BCAERO COc1ncc(C)cc1NC(=O)[C@@H](C)[NH3+] ZINC000157388662 175398419 /nfs/dbraw/zinc/39/84/19/175398419.db2.gz KHTBVUSKSHEAEC-SSDOTTSWSA-N 1 0 209.249 0.684 10 0 BCAERO COc1nccnc1CN(C)C[C@H]1CC[NH2+]C1 ZINC000095071596 175411977 /nfs/dbraw/zinc/41/19/77/175411977.db2.gz VTKTWWMJXWAEQV-JTQLQIEISA-N 1 0 236.319 0.527 10 0 BCAERO COc1nccnc1CNC[C@@H]1CCC[NH2+]1 ZINC000095071631 175413428 /nfs/dbraw/zinc/41/34/28/175413428.db2.gz DIIKOAMVSRHPJW-VIFPVBQESA-N 1 0 222.292 0.327 10 0 BCAERO COc1nccnc1COC[C@@H]1CC[NH2+]C1 ZINC000095071649 175413687 /nfs/dbraw/zinc/41/36/87/175413687.db2.gz IXPZOKCTPZAIDT-SECBINFHSA-N 1 0 223.276 0.611 10 0 BCAERO CS(=O)(=O)CCC[NH2+][C@H]1CCCCC[C@H]1O ZINC000038047824 175421387 /nfs/dbraw/zinc/42/13/87/175421387.db2.gz JBYMIIKCUHXMAL-WDEREUQCSA-N 1 0 249.376 0.704 10 0 BCAERO CS(=O)(=O)N1CC[NH+]=Cc2cc(N)ccc21 ZINC000073642563 175427956 /nfs/dbraw/zinc/42/79/56/175427956.db2.gz SORDFFNHWQMCSD-UHFFFAOYSA-N 1 0 239.300 0.467 10 0 BCAERO CS[C@H](C)CNC(=O)[C@H](C)C1C[NH2+]C1 ZINC000129376918 175561964 /nfs/dbraw/zinc/56/19/64/175561964.db2.gz VJSLBHJPCITERK-HTQZYQBOSA-N 1 0 216.350 0.710 10 0 BCAERO C[C@H](C1CC1)N(C)C(=O)[C@H](C)N1CC[NH2+]CC1 ZINC000036786261 175602727 /nfs/dbraw/zinc/60/27/27/175602727.db2.gz CHFUVJCHPFZOQL-MNOVXSKESA-N 1 0 239.363 0.537 10 0 BCAERO C[C@@H](C(=O)NC(C)(C)C)N1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000235261741 175608662 /nfs/dbraw/zinc/60/86/62/175608662.db2.gz PMODFSGEBYYBDX-UTLUCORTSA-N 1 0 227.352 0.569 10 0 BCAERO C[C@@H](C[NH3+])CC(=O)NC[C@H]1CCCO1 ZINC000076582747 175706010 /nfs/dbraw/zinc/70/60/10/175706010.db2.gz GBDOOJMQMNAXIV-RKDXNWHRSA-N 1 0 200.282 0.267 10 0 BCAERO C[C@@H]([NH3+])CC(=O)N(C)Cc1ccc(C(N)=O)cc1 ZINC000037806053 175802615 /nfs/dbraw/zinc/80/26/15/175802615.db2.gz WIGBXSACGLBSCF-SECBINFHSA-N 1 0 249.314 0.481 10 0 BCAERO C[C@@H]([NH3+])CC(=O)N1C(=O)c2cccc(N)c2C1=O ZINC000037607827 175802716 /nfs/dbraw/zinc/80/27/16/175802716.db2.gz YDGADWYSEALRAQ-ZCFIWIBFSA-N 1 0 247.254 0.129 10 0 BCAERO C[C@@H]([NH3+])[C@H](c1ccccc1)N(CCO)CCO ZINC000042901796 175813573 /nfs/dbraw/zinc/81/35/73/175813573.db2.gz ZFOBWCJWXLYYBT-DGCLKSJQSA-N 1 0 238.331 0.362 10 0 BCAERO C[C@@H](NS(C)(=O)=O)[C@H]1CCCC[NH2+]1 ZINC000035691707 175910794 /nfs/dbraw/zinc/91/07/94/175910794.db2.gz HHAQXVFMXVQYHA-HTQZYQBOSA-N 1 0 206.311 0.066 10 0 BCAERO C[C@@H](OC1CCC1)C(=O)N1CC[NH2+]CC1 ZINC000050520578 176002186 /nfs/dbraw/zinc/00/21/86/176002186.db2.gz ODVDGZNESSKMTE-SECBINFHSA-N 1 0 212.293 0.376 10 0 BCAERO C[C@@H](Oc1cc2c(cc1C[NH3+])OCO2)C(N)=O ZINC000042873878 176003658 /nfs/dbraw/zinc/00/36/58/176003658.db2.gz PPYDSDDHEZWMIE-ZCFIWIBFSA-N 1 0 238.243 0.127 10 0 BCAERO C[C@@H]([NH3+])c1cccc(O[C@H](C)C(N)=O)c1 ZINC000020419752 176005057 /nfs/dbraw/zinc/00/50/57/176005057.db2.gz DXKJGVHPGVBWAN-HTQZYQBOSA-N 1 0 208.261 0.959 10 0 BCAERO C[C@@H]([NH3+])c1ccccc1O[C@H](C)C(N)=O ZINC000020419423 176006512 /nfs/dbraw/zinc/00/65/12/176006512.db2.gz MOWDLTTXDOWDOB-HTQZYQBOSA-N 1 0 208.261 0.959 10 0 BCAERO C[C@@H](c1ccc(N)cc1)[N@H+](C)CC(N)=O ZINC000040908812 176015325 /nfs/dbraw/zinc/01/53/25/176015325.db2.gz SLRPPKUTRFTWLY-QMMMGPOBSA-N 1 0 207.277 0.747 10 0 BCAERO C[C@@H](c1cccc(F)c1)n1nnnc1C[NH3+] ZINC000054747603 176018380 /nfs/dbraw/zinc/01/83/80/176018380.db2.gz NRAGXEDUPOZAGL-ZETCQYMHSA-N 1 0 221.239 0.880 10 0 BCAERO C[C@@H](c1ccccc1)[C@H]1NCCNC1=O ZINC000051925325 176023177 /nfs/dbraw/zinc/02/31/77/176023177.db2.gz TWKHOWKFSAETFI-GXSJLCMTSA-N 1 0 204.273 0.878 10 0 BCAERO C[C@@H](c1ccccn1)N1CC[C@@H]([NH3+])C1=O ZINC000049648737 176028047 /nfs/dbraw/zinc/02/80/47/176028047.db2.gz XBZUIJUXLDZDNT-DTWKUNHWSA-N 1 0 205.261 0.702 10 0 BCAERO C[C@@H](c1ccncc1)N1CC[C@@H]([NH3+])C1=O ZINC000049648753 176036124 /nfs/dbraw/zinc/03/61/24/176036124.db2.gz JLIQAMNEDJRNEL-WCBMZHEXSA-N 1 0 205.261 0.702 10 0 BCAERO C[C@@H]1C(=O)NCCN1C(=[NH2+])NC1CCCCC1 ZINC000104130681 176045387 /nfs/dbraw/zinc/04/53/87/176045387.db2.gz JXFDWPVLMQNYMT-SECBINFHSA-N 1 0 238.335 0.664 10 0 BCAERO C[C@@H]1CC(=O)N(CC[C@@H]2CCCC[NH2+]2)C1=O ZINC000038051920 176048091 /nfs/dbraw/zinc/04/80/91/176048091.db2.gz BFBTYHUSZHKCQI-ZJUUUORDSA-N 1 0 224.304 0.914 10 0 BCAERO C[C@@H]1CCCC[C@H]1CNC(=O)[C@@H]1C[NH2+]CCN1 ZINC000062813290 176084331 /nfs/dbraw/zinc/08/43/31/176084331.db2.gz MTVMYTXYTSJJPH-WOPDTQHZSA-N 1 0 239.363 0.490 10 0 BCAERO C[C@@H]1CCCC[C@H]1[NH2+]CCS(N)(=O)=O ZINC000036745453 176088564 /nfs/dbraw/zinc/08/85/64/176088564.db2.gz SRLMWIWRIOZTBD-RKDXNWHRSA-N 1 0 220.338 0.443 10 0 BCAERO C[C@@H]1CCC[NH2+][C@@H]1C(=O)NCc1cnn(C)c1 ZINC000051813116 176111587 /nfs/dbraw/zinc/11/15/87/176111587.db2.gz MHCDNQBDFYZSNE-KOLCDFICSA-N 1 0 236.319 0.424 10 0 BCAERO C[C@@H]1CCC[C@@H](CNC(=O)c2ccnn2C)[NH2+]1 ZINC000061665451 176118707 /nfs/dbraw/zinc/11/87/07/176118707.db2.gz BMNNLRKEOCESCF-ZJUUUORDSA-N 1 0 236.319 0.681 10 0 BCAERO C[C@@H]1CCC[C@@H]1C(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000358074363 176126600 /nfs/dbraw/zinc/12/66/00/176126600.db2.gz RHMXJTHAXQYLST-MDZLAQPJSA-N 1 0 240.347 0.605 10 0 BCAERO Cc1cnn(CCNC(=O)C[C@H]([NH3+])C(C)C)c1 ZINC000232682135 487632780 /nfs/dbraw/zinc/63/27/80/487632780.db2.gz BBQXCAHPSUMINM-NSHDSACASA-N 1 0 238.335 0.681 10 0 BCAERO C[C@@H]1CCC[C@@](CO)([NH+]2CCNCC2)C1 ZINC000038120546 176134146 /nfs/dbraw/zinc/13/41/46/176134146.db2.gz BSTHJHXVKRMGJB-VXGBXAGGSA-N 1 0 212.337 0.833 10 0 BCAERO C[C@@H]1CCN(C(=O)N[C@@H]2CCOC2)[C@@H](C[NH3+])C1 ZINC000235301808 176158679 /nfs/dbraw/zinc/15/86/79/176158679.db2.gz XZVYKHOOHJGKDX-GMTAPVOTSA-N 1 0 241.335 0.544 10 0 BCAERO C[C@@H]1CCN(CCCC(=O)N(C)C)[C@H](C[NH3+])C1 ZINC000104418236 176168822 /nfs/dbraw/zinc/16/88/22/176168822.db2.gz UJTFXQRCYJJNAH-NEPJUHHUSA-N 1 0 241.379 0.914 10 0 BCAERO C[C@@H]1CCN(CCn2cccn2)[C@@H](C[NH3+])C1 ZINC000224848307 176172443 /nfs/dbraw/zinc/17/24/43/176172443.db2.gz QQRGZZUQSFSFNM-VXGBXAGGSA-N 1 0 222.336 0.942 10 0 BCAERO C[C@@H]1CC[C@@H](C(=O)NC[C@@H]2CCCO2)C[NH2+]1 ZINC000019503871 176195468 /nfs/dbraw/zinc/19/54/68/176195468.db2.gz OEIOPQKCFIGGRC-MXWKQRLJSA-N 1 0 226.320 0.670 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)NCCC[NH+](C)C)O1 ZINC000121907032 176220325 /nfs/dbraw/zinc/22/03/25/176220325.db2.gz YOMXXRUDLTYTBF-NXEZZACHSA-N 1 0 214.309 0.622 10 0 BCAERO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1CC(C)(C)O ZINC000042438561 176222345 /nfs/dbraw/zinc/22/23/45/176222345.db2.gz NLCXZAQPBSNWIB-BDAKNGLRSA-N 1 0 214.309 0.343 10 0 BCAERO C[C@@H]1CN(C(=O)C(C)(C)C[NH3+])C[C@@H](C)O1 ZINC000044751250 176241772 /nfs/dbraw/zinc/24/17/72/176241772.db2.gz WYGBBGNHPLMGTQ-RKDXNWHRSA-N 1 0 214.309 0.607 10 0 BCAERO C[C@@H]1CN(C(=O)CCC[NH3+])C[C@@H](C)O1 ZINC000019515880 176245792 /nfs/dbraw/zinc/24/57/92/176245792.db2.gz BOHGQBPAINLPQO-RKDXNWHRSA-N 1 0 200.282 0.361 10 0 BCAERO C[C@@H]1CN(C(=O)C[C@H]2C[NH2+]CCO2)C[C@@H](C)O1 ZINC000229925538 176248356 /nfs/dbraw/zinc/24/83/56/176248356.db2.gz CHFSUHYCNFQMPQ-MXWKQRLJSA-N 1 0 242.319 0.001 10 0 BCAERO C[C@@H]1CN(C(=O)[C@@H](O)c2ccccc2)C[C@@H]1[NH3+] ZINC000235328303 176253535 /nfs/dbraw/zinc/25/35/35/176253535.db2.gz GUUBGYCNXFDMKQ-USWWRNFRSA-N 1 0 234.299 0.526 10 0 BCAERO C[C@@H]1CN(C(=O)[C@@H]2CCC[C@H](C[NH3+])C2)CCO1 ZINC000055145457 176255529 /nfs/dbraw/zinc/25/55/29/176255529.db2.gz OULHTLKRGFQYRT-GRYCIOLGSA-N 1 0 240.347 0.999 10 0 BCAERO C[C@@H]1CN(C(=O)[C@H]2CCCC[NH2+]2)C[C@@H](C)O1 ZINC000019409361 176257706 /nfs/dbraw/zinc/25/77/06/176257706.db2.gz AHOAANZCHLOTSA-GMTAPVOTSA-N 1 0 226.320 0.764 10 0 BCAERO C[C@@H]1CN(C(=O)[C@H]2CC[C@@H]([NH3+])C2)CCO1 ZINC000227879523 176258570 /nfs/dbraw/zinc/25/85/70/176258570.db2.gz YIZHFNSSNHRRTM-KXUCPTDWSA-N 1 0 212.293 0.361 10 0 BCAERO C[C@@H]1CN(C(=O)[C@H]2CCC[C@H](C[NH3+])C2)CCO1 ZINC000055145459 176258653 /nfs/dbraw/zinc/25/86/53/176258653.db2.gz OULHTLKRGFQYRT-WOPDTQHZSA-N 1 0 240.347 0.999 10 0 BCAERO C[C@@H]1CN(C(=O)[C@](C)([NH3+])C2CC2)CCO1 ZINC000037478737 176259019 /nfs/dbraw/zinc/25/90/19/176259019.db2.gz HYMSCCRHLYEWGA-LDYMZIIASA-N 1 0 212.293 0.361 10 0 BCAERO C[C@@H]1CN(C(=O)c2ccncc2)C[C@H]1[NH3+] ZINC000235374310 176263713 /nfs/dbraw/zinc/26/37/13/176263713.db2.gz FQRRATPNSPLIFT-PSASIEDQSA-N 1 0 205.261 0.501 10 0 BCAERO C[C@@H]1CN(C(=O)c2coc(C[NH3+])c2)C[C@@H](C)O1 ZINC000187184779 176265186 /nfs/dbraw/zinc/26/51/86/176265186.db2.gz ZNMMNPSKTNVLFF-RKDXNWHRSA-N 1 0 238.287 0.988 10 0 BCAERO C[C@@H]1CN(C(=O)c2cncs2)CC[NH2+]1 ZINC000219050469 176265347 /nfs/dbraw/zinc/26/53/47/176265347.db2.gz ABIYTGDFJIOYKD-SSDOTTSWSA-N 1 0 211.290 0.577 10 0 BCAERO C[C@@H]1CN(C)CCN1C(=O)C1([NH3+])CCCC1 ZINC000226402046 176266364 /nfs/dbraw/zinc/26/63/64/176266364.db2.gz CTQXBPHLJKKRHN-SNVBAGLBSA-N 1 0 225.336 0.420 10 0 BCAERO C[C@@H]1CN(CC(=O)c2ccco2)CC[NH2+]1 ZINC000095069477 176284302 /nfs/dbraw/zinc/28/43/02/176284302.db2.gz YCOSMXJHWZBQHO-SECBINFHSA-N 1 0 208.261 0.756 10 0 BCAERO C[C@@H]1CN(Cc2c[nH]cn2)C[C@@H]1[NH+](C)C ZINC000280131433 176301844 /nfs/dbraw/zinc/30/18/44/176301844.db2.gz AXPWFNYAAKUGDP-KOLCDFICSA-N 1 0 208.309 0.792 10 0 BCAERO C[C@@H]1CN(Cc2ncc[nH]2)C[C@H]1[NH+](C)C ZINC000271563837 176312496 /nfs/dbraw/zinc/31/24/96/176312496.db2.gz NTAIFVHYYZPQTO-NXEZZACHSA-N 1 0 208.309 0.792 10 0 BCAERO C[C@@H]1CN(S(=O)(=O)CC(C)(C)C)C[C@@H]1[NH3+] ZINC000235377501 176313057 /nfs/dbraw/zinc/31/30/57/176313057.db2.gz WAXSUPNNJQLYRU-BDAKNGLRSA-N 1 0 234.365 0.641 10 0 BCAERO C[C@@H]1CN([C@@H](C[NH3+])c2cnn(C)c2)C[C@@H](C)O1 ZINC000020075266 176315520 /nfs/dbraw/zinc/31/55/20/176315520.db2.gz DDIMPPXZEPSHBW-FOGDFJRCSA-N 1 0 238.335 0.529 10 0 BCAERO C[C@@H]1CN(c2nccc(CO)n2)C[C@H]1[NH+](C)C ZINC000341380827 176320528 /nfs/dbraw/zinc/32/05/28/176320528.db2.gz PBLLHBKTEKYLQA-MWLCHTKSSA-N 1 0 236.319 0.355 10 0 BCAERO C[C@@H]1C[NH+]=C(N[C@]2(C)CCS(=O)(=O)C2)S1 ZINC000044931821 176324237 /nfs/dbraw/zinc/32/42/37/176324237.db2.gz QAVRJLXTZCVZQT-VXNVDRBHSA-N 1 0 248.373 0.645 10 0 BCAERO C[C@@H]1C[NH+]=C(NCCn2cccn2)S1 ZINC000042542187 176324905 /nfs/dbraw/zinc/32/49/05/176324905.db2.gz FSSBAKCQUGZFBL-MRVPVSSYSA-N 1 0 210.306 0.964 10 0 BCAERO C[C@@H]1C[NH2+]CCN1C(=O)CC(F)(F)F ZINC000054370455 176325200 /nfs/dbraw/zinc/32/52/00/176325200.db2.gz TXMOBHGIDHOTQG-ZCFIWIBFSA-N 1 0 210.199 0.759 10 0 BCAERO C[C@@H]1C[NH2+]CCN1CC(=O)c1nccs1 ZINC000095069603 176326666 /nfs/dbraw/zinc/32/66/66/176326666.db2.gz PFEQEQARWVJHRX-MRVPVSSYSA-N 1 0 225.317 0.620 10 0 BCAERO C[C@@H]1C[NH2+]CCN1Cc1cc(=O)c(O)co1 ZINC000054373401 176327057 /nfs/dbraw/zinc/32/70/57/176327057.db2.gz AFUJDPJVBVNGMS-MRVPVSSYSA-N 1 0 224.260 0.139 10 0 BCAERO C[C@@H]1C[NH2+]C[C@@H]1c1nc(-c2cnccn2)no1 ZINC000104206177 176329422 /nfs/dbraw/zinc/32/94/22/176329422.db2.gz ACERODLFLKXADO-SFYZADRCSA-N 1 0 231.259 0.850 10 0 BCAERO C[C@@H](NC(=O)[C@@H]1C[NH2+]C[C@H]1C)[C@H]1CCCO1 ZINC000235296948 176330056 /nfs/dbraw/zinc/33/00/56/176330056.db2.gz MUCOIFAFYZNPMI-GWOFURMSSA-N 1 0 226.320 0.526 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@H]1CCCS1 ZINC000235291609 176330258 /nfs/dbraw/zinc/33/02/58/176330258.db2.gz XPCGCZUUASYCOX-OPRDCNLKSA-N 1 0 228.361 0.854 10 0 BCAERO C[C@@H]1COCCN1C(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000055087327 176334849 /nfs/dbraw/zinc/33/48/49/176334849.db2.gz UXHDIIDQEOEYMT-VWYCJHECSA-N 1 0 226.320 0.751 10 0 BCAERO C[C@@H]1COCCN1C(=O)[C@@](C)([NH3+])C1CC1 ZINC000037479006 176334929 /nfs/dbraw/zinc/33/49/29/176334929.db2.gz SNGYFISNYLBWOT-KCJUWKMLSA-N 1 0 212.293 0.361 10 0 BCAERO C[C@@H]1COCCN1[C@]1(C[NH3+])CCCSC1 ZINC000061590041 176337891 /nfs/dbraw/zinc/33/78/91/176337891.db2.gz JBERYXRCTHMXQZ-MNOVXSKESA-N 1 0 230.377 0.932 10 0 BCAERO C[C@@H]1COCCN1Cc1csc(C[NH3+])n1 ZINC000052475948 176337896 /nfs/dbraw/zinc/33/78/96/176337896.db2.gz XRJVAYJLVISIDE-MRVPVSSYSA-N 1 0 227.333 0.823 10 0 BCAERO C[C@@H]1COC[C@@H](C)[NH+]1CCn1ccnc1 ZINC000162011810 176346641 /nfs/dbraw/zinc/34/66/41/176346641.db2.gz UVSYSBSDOQLWHQ-GHMZBOCLSA-N 1 0 209.293 0.992 10 0 BCAERO C[C@@H]1CSC[C@@H]1[NH2+]C[C@H]1CN(C)CCO1 ZINC000336670606 176352940 /nfs/dbraw/zinc/35/29/40/176352940.db2.gz FUHJQHJHWSAQMV-VWYCJHECSA-N 1 0 230.377 0.658 10 0 BCAERO C[C@@H]1C[C@@H]([NH3+])CC[C@@H]1C(=O)NCCCC(N)=O ZINC000055130572 176371247 /nfs/dbraw/zinc/37/12/47/176371247.db2.gz DVGLZKJXEFHEAG-UTLUCORTSA-N 1 0 241.335 0.132 10 0 BCAERO C[C@@H]1C[C@@H](O)C[N@H+](CCC(C)(C)O)C1 ZINC000307335834 176380635 /nfs/dbraw/zinc/38/06/35/176380635.db2.gz DVCFCDRZNIPDPB-NXEZZACHSA-N 1 0 201.310 0.850 10 0 BCAERO C[C@@H]1OCC[C@H]1NC(=O)[C@]1(C)CCC[NH2+]C1 ZINC000134257893 176479518 /nfs/dbraw/zinc/47/95/18/176479518.db2.gz FQGHOJLYPCUNSD-HOSYDEDBSA-N 1 0 226.320 0.670 10 0 BCAERO C[C@@H]1SCCN(C(=O)[C@H]2CC[NH2+]C2)[C@H]1C ZINC000246186691 176488148 /nfs/dbraw/zinc/48/81/48/176488148.db2.gz CRIUFEIQKIUIED-GUBZILKMSA-N 1 0 228.361 0.948 10 0 BCAERO C[C@H](CN(C)c1ccnc(C(N)=O)c1)C(N)=[NH2+] ZINC000042459925 176655015 /nfs/dbraw/zinc/65/50/15/176655015.db2.gz ZZTDDAMVUBYGJR-SSDOTTSWSA-N 1 0 235.291 0.189 10 0 BCAERO C[C@H](C[NH3+])Cn1c2ccccc2ncc1=O ZINC000036677806 176659488 /nfs/dbraw/zinc/65/94/88/176659488.db2.gz VXLVCCLLLNXDBE-SECBINFHSA-N 1 0 217.272 0.991 10 0 BCAERO C[C@H](C[NH2+]C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000052951658 176679698 /nfs/dbraw/zinc/67/96/98/176679698.db2.gz XZUVQNZRAFDMBQ-BDAKNGLRSA-N 1 0 217.334 0.809 10 0 BCAERO C[C@H](C[NH2+]C[C@H]1CCCOC1)C(N)=O ZINC000038045587 176681615 /nfs/dbraw/zinc/68/16/15/176681615.db2.gz KLIFMAHTPWQCNT-RKDXNWHRSA-N 1 0 200.282 0.124 10 0 BCAERO C[C@H]([NH3+])CC(=O)Nc1cccc(CO)c1 ZINC000037476584 176757488 /nfs/dbraw/zinc/75/74/88/176757488.db2.gz ZBNILLCBKCEMQH-QMMMGPOBSA-N 1 0 208.261 0.855 10 0 BCAERO C[C@H]([NH3+])CCC(=O)NC[C@@H]1CCCC[C@H]1O ZINC000251232519 176758575 /nfs/dbraw/zinc/75/85/75/176758575.db2.gz QQDHAOPOXZJCEM-GARJFASQSA-N 1 0 228.336 0.781 10 0 BCAERO C[C@H]([NH3+])[C@@H](c1cnn(C)c1)N1CCCOCC1 ZINC000061914166 176766011 /nfs/dbraw/zinc/76/60/11/176766011.db2.gz XRDOSYDDDPEIHN-JQWIXIFHSA-N 1 0 238.335 0.531 10 0 BCAERO C[C@H]([NH3+])[C@@H](c1ccncc1)N1CCOCC1 ZINC000043352876 176766064 /nfs/dbraw/zinc/76/60/64/176766064.db2.gz LVCNUPPGAMPWBY-JQWIXIFHSA-N 1 0 221.304 0.802 10 0 BCAERO C[C@H](NC(=O)[C@@]1(C)CC[NH2+]C1)[C@H]1CCCO1 ZINC000251564734 176811504 /nfs/dbraw/zinc/81/15/04/176811504.db2.gz MORPWIAPXKBDCC-UMNHJUIQSA-N 1 0 226.320 0.670 10 0 BCAERO C[C@H]([NH2+]C1CC1)C(=O)N1CCOC[C@@H]1C ZINC000335662438 176827865 /nfs/dbraw/zinc/82/78/65/176827865.db2.gz ITDKETARKSWORF-IUCAKERBSA-N 1 0 212.293 0.374 10 0 BCAERO C[C@H](O)[C@H]([NH3+])c1nc2ccccc2n1C ZINC000034962061 177014009 /nfs/dbraw/zinc/01/40/09/177014009.db2.gz RFQGRYPUDYVWSR-XVKPBYJWSA-N 1 0 205.261 0.954 10 0 BCAERO C[C@H](OC[C@@H]1CC[NH2+]C1)C(=O)N1CCCC1 ZINC000051888172 177021249 /nfs/dbraw/zinc/02/12/49/177021249.db2.gz HKMFDPGXFIPKHL-WDEREUQCSA-N 1 0 226.320 0.623 10 0 BCAERO C[C@@H]([NH3+])c1ccccc1O[C@@H](C)C(N)=O ZINC000020419421 177024425 /nfs/dbraw/zinc/02/44/25/177024425.db2.gz MOWDLTTXDOWDOB-SFYZADRCSA-N 1 0 208.261 0.959 10 0 BCAERO C[C@H](SCC[NH3+])C(=O)N1CCCC1 ZINC000020422316 177026625 /nfs/dbraw/zinc/02/66/25/177026625.db2.gz TVERUPIHRXYUBZ-QMMMGPOBSA-N 1 0 202.323 0.689 10 0 BCAERO C[C@H](Sc1ccccn1)C(=O)NCC[NH3+] ZINC000049477718 177029151 /nfs/dbraw/zinc/02/91/51/177029151.db2.gz FMZYQLVTOLIQEH-QMMMGPOBSA-N 1 0 225.317 0.637 10 0 BCAERO C[C@H](Sc1nccn1C)C1=[NH+]CCN1 ZINC000039108970 177030243 /nfs/dbraw/zinc/03/02/43/177030243.db2.gz FIVOCQQTKHPJCP-ZETCQYMHSA-N 1 0 210.306 0.902 10 0 BCAERO C[C@H]([C@@H]1CCC[NH2+]C1)N1CCS(=O)(=O)CC1 ZINC000050164347 177030458 /nfs/dbraw/zinc/03/04/58/177030458.db2.gz QRTYFWJQMJFPFP-GHMZBOCLSA-N 1 0 246.376 0.105 10 0 BCAERO C[C@@H]1CN(CC(=O)N2CCCC[C@@H]2C)C[C@@H]1[NH3+] ZINC000235336769 177072592 /nfs/dbraw/zinc/07/25/92/177072592.db2.gz VISLVYIJXMXDTO-WOPDTQHZSA-N 1 0 239.363 0.666 10 0 BCAERO C[C@H]1CCCC[N@@H+]1CC[C@H]([NH3+])C(=O)[O-] ZINC000062440388 177077920 /nfs/dbraw/zinc/07/79/20/177077920.db2.gz AMTIHCGBZSVRAT-IUCAKERBSA-N 1 0 200.282 0.663 10 0 BCAERO C[C@H]1CCCCN1S(=O)(=O)C1CC[NH2+]CC1 ZINC000049631917 177078834 /nfs/dbraw/zinc/07/88/34/177078834.db2.gz BVKUHAYZRHNUDD-JTQLQIEISA-N 1 0 246.376 0.943 10 0 BCAERO C[C@H]1CCCCN1S(=O)(=O)C[C@@H]1CCC[NH2+]1 ZINC000049631913 177079247 /nfs/dbraw/zinc/07/92/47/177079247.db2.gz RDTMUYGHVMRNBY-QWRGUYRKSA-N 1 0 246.376 0.943 10 0 BCAERO C[C@H]1CCCC[C@@H]1C[NH2+]CC(=O)NC(N)=O ZINC000042862785 177079725 /nfs/dbraw/zinc/07/97/25/177079725.db2.gz MBYSKWQZCKSCEH-DTWKUNHWSA-N 1 0 227.308 0.597 10 0 BCAERO C[C@H]1CCCC[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC000042862790 177085759 /nfs/dbraw/zinc/08/57/59/177085759.db2.gz MBYSKWQZCKSCEH-IUCAKERBSA-N 1 0 227.308 0.597 10 0 BCAERO C[C@H]1CCCC[C@H]1[NH2+]CCS(N)(=O)=O ZINC000036745454 177088531 /nfs/dbraw/zinc/08/85/31/177088531.db2.gz SRLMWIWRIOZTBD-DTWKUNHWSA-N 1 0 220.338 0.443 10 0 BCAERO C[C@H]1CCCN(S(=O)(=O)C2CC[NH2+]CC2)C1 ZINC000049632113 177104295 /nfs/dbraw/zinc/10/42/95/177104295.db2.gz KFJXTMMYVMHJKL-JTQLQIEISA-N 1 0 246.376 0.800 10 0 BCAERO C[C@H]1CCC[N@@H+]([C@]2(CN)CCN(C)C2)C1 ZINC000061990019 177105473 /nfs/dbraw/zinc/10/54/73/177105473.db2.gz JVIJTQXZDOOHSW-RYUDHWBXSA-N 1 0 211.353 0.751 10 0 BCAERO C[C@H]1CCCN1C(=O)CCN1CC[NH2+]CC1 ZINC000082652423 177106866 /nfs/dbraw/zinc/10/68/66/177106866.db2.gz KPQITLFTFOFMHH-NSHDSACASA-N 1 0 225.336 0.293 10 0 BCAERO C[C@H]1CCC[C@@H](C(=O)NC2CCC(O)CC2)[NH2+]1 ZINC000019517961 177112986 /nfs/dbraw/zinc/11/29/86/177112986.db2.gz ZWZZCSMOIFIRBT-XKGSQUFQSA-N 1 0 240.347 0.937 10 0 BCAERO C[C@H]1CCC[C@H](CNS(C)(=O)=O)[NH2+]1 ZINC000051574264 177133428 /nfs/dbraw/zinc/13/34/28/177133428.db2.gz XDBMSTWAMXQTQI-JGVFFNPUSA-N 1 0 206.311 0.066 10 0 BCAERO C[C@H]1CCC[C@H]([NH3+])[C@@H]1C(=O)N1CCCOCC1 ZINC000061940160 177135249 /nfs/dbraw/zinc/13/52/49/177135249.db2.gz NNIFLIZHEHCIMI-SDDRHHMPSA-N 1 0 240.347 0.999 10 0 BCAERO C[C@@H]1[C@@H](C)CCN1C(=O)[C@@H]1C[NH2+]CCO1 ZINC000237550385 177151884 /nfs/dbraw/zinc/15/18/84/177151884.db2.gz RDBJLCQIAHRAGQ-AEJSXWLSSA-N 1 0 212.293 0.232 10 0 BCAERO C[C@H]1CCN(C(=O)[C@H]2CCCO2)[C@@H](C[NH3+])C1 ZINC000235645526 177152214 /nfs/dbraw/zinc/15/22/14/177152214.db2.gz XHDRXZLGLBJNLN-HBNTYKKESA-N 1 0 226.320 0.751 10 0 BCAERO C[C@H]1CCN(CC(=O)N(C)C2CC2)[C@@H](C[NH3+])C1 ZINC000224846150 177156852 /nfs/dbraw/zinc/15/68/52/177156852.db2.gz WHHPTOBEQBKFGU-CMPLNLGQSA-N 1 0 239.363 0.666 10 0 BCAERO C[C@H]1CCN(CCN2CCOCC2)[C@@H](C[NH3+])C1 ZINC000224847118 177160742 /nfs/dbraw/zinc/16/07/42/177160742.db2.gz VPBLQVOFGMYBTD-QWHCGFSZSA-N 1 0 241.379 0.378 10 0 BCAERO C[C@H]1CCN(Cc2cncn2C)[C@@H](C[NH3+])C1 ZINC000235615826 177166827 /nfs/dbraw/zinc/16/68/27/177166827.db2.gz KJHHWXNYZLQCJH-WDEREUQCSA-N 1 0 222.336 0.979 10 0 BCAERO C[C@H]1CC[C@@H](C(=O)NCCC[NH+](C)C)O1 ZINC000121907508 177181027 /nfs/dbraw/zinc/18/10/27/177181027.db2.gz YOMXXRUDLTYTBF-UWVGGRQHSA-N 1 0 214.309 0.622 10 0 BCAERO C[C@H]1CN(C(=O)C(C)(C)C[NH3+])CCO1 ZINC000044751262 177211571 /nfs/dbraw/zinc/21/15/71/177211571.db2.gz GLJSUCOZBVRREY-QMMMGPOBSA-N 1 0 200.282 0.219 10 0 BCAERO C[C@H]1CN(C(=O)C2(C[NH3+])CCOCC2)C[C@@H]1C ZINC000092087356 177212388 /nfs/dbraw/zinc/21/23/88/177212388.db2.gz BWCIQKMASOZSBC-QWRGUYRKSA-N 1 0 240.347 0.856 10 0 BCAERO C[C@H]1CN(C(=O)CSCC[NH3+])C[C@H](C)O1 ZINC000037035669 177217358 /nfs/dbraw/zinc/21/73/58/177217358.db2.gz LGXMJTPLSUHHTI-IUCAKERBSA-N 1 0 232.349 0.314 10 0 BCAERO C[C@H]1CN(C(=O)N2CC[NH2+]CC2)CCCO1 ZINC000061916696 177219754 /nfs/dbraw/zinc/21/97/54/177219754.db2.gz ZQOXLCRAYCKVMB-JTQLQIEISA-N 1 0 227.308 0.122 10 0 BCAERO C[C@H]1CN(C(=O)[C@@H]2CCCO2)C[C@H](C)[NH2+]1 ZINC000069628327 177222689 /nfs/dbraw/zinc/22/26/89/177222689.db2.gz IUBLAAPUXVEJJJ-GUBZILKMSA-N 1 0 212.293 0.374 10 0 BCAERO C[C@H]1CN(C(=O)[C@@H]2C[C@@H]2C2CC2)CC[NH2+]1 ZINC000237758626 177222949 /nfs/dbraw/zinc/22/29/49/177222949.db2.gz NJBBLZDSMKVZPM-JMJZKYOTSA-N 1 0 208.305 0.853 10 0 BCAERO C[C@@H]1CN(C(=O)[C@H]2CC[C@@H]([NH3+])C2)C[C@H](C)O1 ZINC000133243388 177224653 /nfs/dbraw/zinc/22/46/53/177224653.db2.gz CAHOPMORROQYFW-ZRUFSTJUSA-N 1 0 226.320 0.750 10 0 BCAERO C[C@H]1CN(C(=O)[C@](C)([NH3+])C2CC2)CCCO1 ZINC000061920376 177225234 /nfs/dbraw/zinc/22/52/34/177225234.db2.gz JCCALAZXDUCYAL-JOYOIKCWSA-N 1 0 226.320 0.751 10 0 BCAERO C[C@H]1CN(C(=O)c2cc[nH]c(=O)c2)C[C@@H]1[NH+](C)C ZINC000230196400 177226090 /nfs/dbraw/zinc/22/60/90/177226090.db2.gz QVJVMDRRVQHNQY-ONGXEEELSA-N 1 0 249.314 0.397 10 0 BCAERO C[C@H]1CN(C(=O)c2ccc3[nH]cnc3c2)CC[NH2+]1 ZINC000088059069 177227157 /nfs/dbraw/zinc/22/71/57/177227157.db2.gz FROFFULJBPDCFK-VIFPVBQESA-N 1 0 244.298 0.997 10 0 BCAERO C[C@H]1CN(C)CCN1C(=O)C1([NH3+])CCC1 ZINC000235715977 177233423 /nfs/dbraw/zinc/23/34/23/177233423.db2.gz UCZXMZOQNCMREZ-VIFPVBQESA-N 1 0 211.309 0.030 10 0 BCAERO C[C@H]1CN(CC(=O)c2nccs2)CC[NH2+]1 ZINC000095069484 177244584 /nfs/dbraw/zinc/24/45/84/177244584.db2.gz KUIWKNBQQGXLFO-QMMMGPOBSA-N 1 0 225.317 0.620 10 0 BCAERO C[C@@H]1C[N@@H+](CCC(N)=S)C[C@H](C)O1 ZINC000019473792 177246025 /nfs/dbraw/zinc/24/60/25/177246025.db2.gz OAYJZVDIQHOBDA-OCAPTIKFSA-N 1 0 202.323 0.772 10 0 BCAERO C[C@H]1C[N@H+](CCCCO)C[C@@H]1N(C)C ZINC000124737368 177247540 /nfs/dbraw/zinc/24/75/40/177247540.db2.gz WAHWZVNTYVOGGB-QWRGUYRKSA-N 1 0 200.326 0.641 10 0 BCAERO C[C@H]1CN(CCC[NH+]2CCCC2)C[C@H](CO)O1 ZINC000191783959 177250254 /nfs/dbraw/zinc/25/02/54/177250254.db2.gz BVXBEGFDLQHZBQ-QWHCGFSZSA-N 1 0 242.363 0.554 10 0 BCAERO C[C@@H]1C[NH2+][C@@H](C)CN1CCCn1ccnc1 ZINC000082934735 177251616 /nfs/dbraw/zinc/25/16/16/177251616.db2.gz VZWIZFKMKQNEIV-NWDGAFQWSA-N 1 0 222.336 0.955 10 0 BCAERO C[C@H]1CN(C[C@@H](O)C[N@H+](C)C2CC2)CCS1 ZINC000309365169 177257301 /nfs/dbraw/zinc/25/73/01/177257301.db2.gz DPCQEHAZQVLCCE-JQWIXIFHSA-N 1 0 244.404 0.879 10 0 BCAERO C[C@H]1CN(Cc2ccoc2C[NH3+])CCO1 ZINC000052382443 177268552 /nfs/dbraw/zinc/26/85/52/177268552.db2.gz GJZVKCSBGVSYHZ-VIFPVBQESA-N 1 0 210.277 0.959 10 0 BCAERO C[C@H]1CN(Cc2occc2C[NH3+])CCO1 ZINC000052382424 177272454 /nfs/dbraw/zinc/27/24/54/177272454.db2.gz ONHNCWISDRKQGJ-VIFPVBQESA-N 1 0 210.277 0.959 10 0 BCAERO C[C@H]1C[N@@H+]([C@@H](CN)C2CCOCC2)CCCO1 ZINC000061915932 177273477 /nfs/dbraw/zinc/27/34/77/177273477.db2.gz GQWWLRAPNPBKAN-AAEUAGOBSA-N 1 0 242.363 0.851 10 0 BCAERO C[C@H]1CN(S(C)(=O)=O)C(C)(C)C[NH2+]1 ZINC000062569638 177273962 /nfs/dbraw/zinc/27/39/62/177273962.db2.gz JCFCHYLDUZIQEX-ZETCQYMHSA-N 1 0 206.311 0.018 10 0 BCAERO C[C@H]1CN(c2ncncc2Cl)C[C@@H]1[NH3+] ZINC000235677478 177279479 /nfs/dbraw/zinc/27/94/79/177279479.db2.gz KXNGYERYHCWEQM-XPUUQOCRSA-N 1 0 212.684 0.913 10 0 BCAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1CCC1OCCO1 ZINC000124306354 177280764 /nfs/dbraw/zinc/28/07/64/177280764.db2.gz BWYPVPFWNJUZIV-NWDGAFQWSA-N 1 0 240.347 0.918 10 0 BCAERO C[C@H]1C[NH2+]CCN1CC(=O)c1nccs1 ZINC000095069604 177284107 /nfs/dbraw/zinc/28/41/07/177284107.db2.gz PFEQEQARWVJHRX-QMMMGPOBSA-N 1 0 225.317 0.620 10 0 BCAERO C[C@H]1C[NH2+]CCN1Cc1ccc(Cl)nn1 ZINC000095069610 177284297 /nfs/dbraw/zinc/28/42/97/177284297.db2.gz HNHPPGGCMFHQSR-QMMMGPOBSA-N 1 0 226.711 0.924 10 0 BCAERO C[C@H]1C[NH2+]C[C@@H]1C(=O)Nc1ccc(N(C)C)nc1 ZINC000104222189 177285347 /nfs/dbraw/zinc/28/53/47/177285347.db2.gz HCVBMAOVXDNOKQ-ONGXEEELSA-N 1 0 248.330 0.942 10 0 BCAERO C[C@H]1C[NH2+]C[C@@H]1C(=O)N1CCn2ccnc2C1 ZINC000104228865 177285639 /nfs/dbraw/zinc/28/56/39/177285639.db2.gz XYLFRUCZPXVFBD-UWVGGRQHSA-N 1 0 234.303 0.081 10 0 BCAERO C[C@H]1C[NH2+]C[C@@H]1c1nc(-c2cnccn2)no1 ZINC000104206182 177285797 /nfs/dbraw/zinc/28/57/97/177285797.db2.gz ACERODLFLKXADO-YUMQZZPRSA-N 1 0 231.259 0.850 10 0 BCAERO C[C@H]1C[NH2+]C[C@@H]1C(=O)N(C)Cc1cnn(C)c1 ZINC000104217799 177286016 /nfs/dbraw/zinc/28/60/16/177286016.db2.gz GQPKULQDEGZCIU-ONGXEEELSA-N 1 0 236.319 0.234 10 0 BCAERO C[C@H]1COCCN1C(=O)CC[C@@H]1CC[NH2+]C1 ZINC000134481607 177289293 /nfs/dbraw/zinc/28/92/93/177289293.db2.gz HLWIQHLEUCDOFR-WDEREUQCSA-N 1 0 226.320 0.623 10 0 BCAERO C[C@H]1COCCN1C(=O)C[C@H]1CCCC[NH2+]1 ZINC000035777682 177289382 /nfs/dbraw/zinc/28/93/82/177289382.db2.gz REYFGZANPZZRJM-WDEREUQCSA-N 1 0 226.320 0.766 10 0 BCAERO C[C@H]1COCCN1C(=O)C1(C[NH3+])CCC1 ZINC000082641880 177289642 /nfs/dbraw/zinc/28/96/42/177289642.db2.gz OFDQOFQOKDXRSE-VIFPVBQESA-N 1 0 212.293 0.363 10 0 BCAERO C[C@@H](C(=O)N1CCOC[C@@H]1C)C1C[NH2+]C1 ZINC000129099904 177289836 /nfs/dbraw/zinc/28/98/36/177289836.db2.gz FFVMLDQDUJTLPA-DTWKUNHWSA-N 1 0 212.293 0.089 10 0 BCAERO C[C@H]1COCCN1C(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000070252474 177290169 /nfs/dbraw/zinc/29/01/69/177290169.db2.gz MKIMJSJGGFQLHD-WDEREUQCSA-N 1 0 238.331 0.623 10 0 BCAERO C[C@H]1COCCN1C(=O)c1ccnc(C[NH3+])c1 ZINC000129985895 177290446 /nfs/dbraw/zinc/29/04/46/177290446.db2.gz FCESVAHXDWMXMK-VIFPVBQESA-N 1 0 235.287 0.401 10 0 BCAERO C[C@H]1COCCN1C1(C[NH3+])CCSCC1 ZINC000042335054 177290570 /nfs/dbraw/zinc/29/05/70/177290570.db2.gz IMXIXVYEISWVEJ-JTQLQIEISA-N 1 0 230.377 0.932 10 0 BCAERO C[C@@H]1COC[C@H](C)[N@H+]1CCn1ccnc1 ZINC000162011564 177298448 /nfs/dbraw/zinc/29/84/48/177298448.db2.gz UVSYSBSDOQLWHQ-PHIMTYICSA-N 1 0 209.293 0.992 10 0 BCAERO C[C@H]1COC[C@H](C)[NH+]1CCn1ccnc1 ZINC000162011684 177299966 /nfs/dbraw/zinc/29/99/66/177299966.db2.gz UVSYSBSDOQLWHQ-QWRGUYRKSA-N 1 0 209.293 0.992 10 0 BCAERO C[C@H]1CSCCN1C(=O)[C@@H]1CC[NH2+]C1 ZINC000069761847 177305494 /nfs/dbraw/zinc/30/54/94/177305494.db2.gz OXEOTIOQHMCZDZ-DTWKUNHWSA-N 1 0 214.334 0.560 10 0 BCAERO C[C@H]1C[C@H](C)CN(S(=O)(=O)CCC[NH3+])C1 ZINC000037719438 177358548 /nfs/dbraw/zinc/35/85/48/177358548.db2.gz BCSAMPDPFJVSLN-UWVGGRQHSA-N 1 0 234.365 0.643 10 0 BCAERO C[C@H]1C[C@H]1NS(=O)(=O)c1ccc(C[NH3+])s1 ZINC000052295780 177386069 /nfs/dbraw/zinc/38/60/69/177386069.db2.gz RIZYUHLUZUODTL-POYBYMJQSA-N 1 0 246.357 0.894 10 0 BCAERO C[C@H]1Cc2ccccc2N1S(=O)(=O)CC[NH3+] ZINC000011584800 177390892 /nfs/dbraw/zinc/39/08/92/177390892.db2.gz IMJDKPNBJFBRAB-VIFPVBQESA-N 1 0 240.328 0.726 10 0 BCAERO C[C@H]1NC(=O)CC[C@@H]1[NH2+]CC1(O)CCCC1 ZINC000335144437 177392950 /nfs/dbraw/zinc/39/29/50/177392950.db2.gz HBIDEAUZMPNLPC-ZJUUUORDSA-N 1 0 226.320 0.548 10 0 BCAERO C[C@H]1NC(=O)CC[C@@H]1[NH2+]Cc1nccs1 ZINC000282210574 177392963 /nfs/dbraw/zinc/39/29/63/177392963.db2.gz DJWOCBHLUMACDO-SFYZADRCSA-N 1 0 225.317 0.900 10 0 BCAERO C[C@H]1NC(=O)CC[C@H]1[NH2+]Cc1cccn1C ZINC000282338672 177394059 /nfs/dbraw/zinc/39/40/59/177394059.db2.gz LYUAKHSFWJDBKZ-MWLCHTKSSA-N 1 0 221.304 0.782 10 0 BCAERO C[C@H]1NC(=O)CC[C@H]1[NH2+]Cc1ccn(C)c1 ZINC000309491603 177394198 /nfs/dbraw/zinc/39/41/98/177394198.db2.gz SINGRLQFZUYVTJ-MWLCHTKSSA-N 1 0 221.304 0.782 10 0 BCAERO C[C@H]1NC(=O)CC[C@H]1[NH2+]Cc1ccc(F)cn1 ZINC000282210539 177394355 /nfs/dbraw/zinc/39/43/55/177394355.db2.gz DIOMRHMEMCESSM-LDYMZIIASA-N 1 0 237.278 0.977 10 0 BCAERO C[C@H]1[NH2+]CCC[C@@H]1C(=O)NCC[N@H+](C)C1CC1 ZINC000094648278 177395144 /nfs/dbraw/zinc/39/51/44/177395144.db2.gz KMIBQVPJOGPENJ-PWSUYJOCSA-N 1 0 239.363 0.585 10 0 BCAERO C[C@H]1[NH2+]CCC[C@@H]1Nc1ncnc2c1cnn2C ZINC000229595810 177395441 /nfs/dbraw/zinc/39/54/41/177395441.db2.gz JRILAXKTHUKDRY-SCZZXKLOSA-N 1 0 246.318 0.916 10 0 BCAERO C[C@H]1[NH2+]CCC[C@H]1NC(=O)c1cncn1C ZINC000235625232 177396555 /nfs/dbraw/zinc/39/65/55/177396555.db2.gz HYWMIDLKJORKPC-RKDXNWHRSA-N 1 0 222.292 0.290 10 0 BCAERO C[C@H]1[C@H]([NH3+])CCN1C(=O)Cc1ccccc1O ZINC000335555728 177433935 /nfs/dbraw/zinc/43/39/35/177433935.db2.gz KJFVXRLDOSBVAN-GXSJLCMTSA-N 1 0 234.299 0.883 10 0 BCAERO Cc1c(-c2nc(CCC[NH3+])no2)cnn1C ZINC000054139247 177552373 /nfs/dbraw/zinc/55/23/73/177552373.db2.gz XYLQPHOUEAIFJQ-UHFFFAOYSA-N 1 0 221.264 0.670 10 0 BCAERO Cc1c(C[NH2+][C@@H](C)CC[S@](C)=O)cnn1C ZINC000160164280 177592254 /nfs/dbraw/zinc/59/22/54/177592254.db2.gz CMLYBSVASBIZKH-XXFAHNHDSA-N 1 0 243.376 0.975 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)N1CC[C@](C)(C(N)=O)C1 ZINC000232719388 487641774 /nfs/dbraw/zinc/64/17/74/487641774.db2.gz ZNUUGMOAAUTFLB-SKDRFNHKSA-N 1 0 241.335 0.084 10 0 BCAERO OCC1(O)CC[NH+](C[C@H]2CCC[C@H](O)C2)CC1 ZINC000313640543 487645421 /nfs/dbraw/zinc/64/54/21/487645421.db2.gz QAUHSEJSNUXSIV-RYUDHWBXSA-N 1 0 243.347 0.357 10 0 BCAERO OCC1(O)CC[NH+](C[C@H]2CCC[C@@H](O)C2)CC1 ZINC000313640541 487645480 /nfs/dbraw/zinc/64/54/80/487645480.db2.gz QAUHSEJSNUXSIV-NWDGAFQWSA-N 1 0 243.347 0.357 10 0 BCAERO Cc1nsc(NCC2([NH3+])CCCC2)n1 ZINC000606280996 487646106 /nfs/dbraw/zinc/64/61/06/487646106.db2.gz YIIAGADDCOIWQU-UHFFFAOYSA-N 1 0 212.322 0.952 10 0 BCAERO CCC[C@@H](O)C[N@@H+]1CC[C@@H](N(C)C)C1 ZINC000220139860 487647247 /nfs/dbraw/zinc/64/72/47/487647247.db2.gz QAAXKVANKACKSS-GHMZBOCLSA-N 1 0 200.326 0.783 10 0 BCAERO CO[C@H](C[N@@H+]1C[C@H](OC)C[C@H]1CO)C1CC1 ZINC000400166073 226332996 /nfs/dbraw/zinc/33/29/96/226332996.db2.gz JDWWFBDAMDZVPB-QJPTWQEYSA-N 1 0 229.320 0.493 10 0 BCAERO CO[C@H](C[N@@H+]1CCO[C@H](CO)C1)C1CC1 ZINC000400254453 226338620 /nfs/dbraw/zinc/33/86/20/226338620.db2.gz DWWXHEILQZVHKP-WDEREUQCSA-N 1 0 215.293 0.105 10 0 BCAERO CO[C@H](C[NH2+][C@H]1CCC(=O)N[C@@H]1C)C1CC1 ZINC000400272409 226338804 /nfs/dbraw/zinc/33/88/04/226338804.db2.gz NDTUGYMKBXGICO-DVVUODLYSA-N 1 0 226.320 0.668 10 0 BCAERO C[C@H](C(=O)N(C)C)[N@@H+]1C[C@H](C)C[C@@H](O)C1 ZINC000401778868 226362004 /nfs/dbraw/zinc/36/20/04/226362004.db2.gz AJZKQQRCOQIYKD-OPRDCNLKSA-N 1 0 214.309 0.166 10 0 BCAERO C[C@@H]1CO[C@H](CO)C[N@@H+]1C[C@@H]1CCC[C@@H](O)C1 ZINC000383668482 487660670 /nfs/dbraw/zinc/66/06/70/487660670.db2.gz LEKJORWGTOEPOM-LPWJVIDDSA-N 1 0 243.347 0.619 10 0 BCAERO OCC[C@@H]1CCC[N@H+](CC2(O)CCC2)C1 ZINC000675124178 487671900 /nfs/dbraw/zinc/67/19/00/487671900.db2.gz DMOJBVHBHODGSK-NSHDSACASA-N 1 0 213.321 0.996 10 0 BCAERO c1nc2ncnc(NC[C@@H]3CC[NH2+]C3)c2[nH]1 ZINC000087655265 487675335 /nfs/dbraw/zinc/67/53/35/487675335.db2.gz BHTZELCMKWLDGX-SSDOTTSWSA-N 1 0 218.264 0.374 10 0 BCAERO C[C@H]([NH3+])CNc1nnnn1-c1ccccc1 ZINC000082575179 487677631 /nfs/dbraw/zinc/67/76/31/487677631.db2.gz PCDDFOWWCURXPC-QMMMGPOBSA-N 1 0 218.264 0.421 10 0 BCAERO CCN(C)C(=O)CC[NH2+][C@H](C)COC ZINC000308575191 487679673 /nfs/dbraw/zinc/67/96/73/487679673.db2.gz DEBLRZAJUSQCTK-SECBINFHSA-N 1 0 202.298 0.479 10 0 BCAERO C[C@@H](NC(=O)[C@]1(C[NH3+])CCCOC1)C1CC1 ZINC000637892396 487683454 /nfs/dbraw/zinc/68/34/54/487683454.db2.gz JAORXCLPUJMEBI-SKDRFNHKSA-N 1 0 226.320 0.657 10 0 BCAERO CCN(CC[NH3+])c1ncnc2nc[nH]c21 ZINC000082592000 487685923 /nfs/dbraw/zinc/68/59/23/487685923.db2.gz JAXGNJNIGLNQLH-UHFFFAOYSA-N 1 0 206.253 0.138 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)N[C@@H]1CCOC1 ZINC000087785649 487685543 /nfs/dbraw/zinc/68/55/43/487685543.db2.gz IIXHIFCDTSBWCI-IVZWLZJFSA-N 1 0 212.293 0.267 10 0 BCAERO COC[C@@H](C)[NH2+]Cc1ccc(OC)nn1 ZINC000308786876 487685784 /nfs/dbraw/zinc/68/57/84/487685784.db2.gz GRFIBISYJLVUPS-MRVPVSSYSA-N 1 0 211.265 0.610 10 0 BCAERO CN(C)[C@H]1CC[N@@H+]([C@@H]2CCCC[C@H]2O)C1 ZINC000226247034 487692438 /nfs/dbraw/zinc/69/24/38/487692438.db2.gz FLNPZSGXDORNEV-QJPTWQEYSA-N 1 0 212.337 0.926 10 0 BCAERO [NH3+]C1(C(=O)N[C@@H]2CCC[C@@H](O)C2)CCC1 ZINC000088050448 487696510 /nfs/dbraw/zinc/69/65/10/487696510.db2.gz MKHHZIRTGTXGJP-RKDXNWHRSA-N 1 0 212.293 0.288 10 0 BCAERO COC[C@@H]([NH3+])C(=O)Nc1cccc(C)c1O ZINC000088004996 487697890 /nfs/dbraw/zinc/69/78/90/487697890.db2.gz IRGPJTSHASQTCU-MRVPVSSYSA-N 1 0 224.260 0.613 10 0 BCAERO O=C(CCc1cccnc1)NC[C@H]1CC[NH2+]C1 ZINC000136039421 487697530 /nfs/dbraw/zinc/69/75/30/487697530.db2.gz DDARTBAILDRLNM-LBPRGKRZSA-N 1 0 233.315 0.740 10 0 BCAERO CC[C@@H](O)CCCNC(=O)[C@@H](C)[NH2+]C ZINC000398605194 262764228 /nfs/dbraw/zinc/76/42/28/262764228.db2.gz MOPQRYMMVKLCIV-RKDXNWHRSA-N 1 0 202.298 0.262 10 0 BCAERO CC[C@](C)(O)C[N@H+]1C[C@](C)(CO)[C@](C)(CO)C1 ZINC000528750379 262967253 /nfs/dbraw/zinc/96/72/53/262967253.db2.gz DCQAPYWHIJBLQE-XQQFMLRXSA-N 1 0 245.363 0.460 10 0 BCAERO CN1CCO[C@H](C[N@H+](C)[C@@H]2CCC[C@H]2O)C1 ZINC000671715950 487703859 /nfs/dbraw/zinc/70/38/59/487703859.db2.gz DURBLZLWJPVHRW-QJPTWQEYSA-N 1 0 228.336 0.162 10 0 BCAERO CCCNC(=O)CNC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054290879 487709029 /nfs/dbraw/zinc/70/90/29/487709029.db2.gz XUYRMVFEQDNZLB-JTQLQIEISA-N 1 0 241.335 0.019 10 0 BCAERO C[C@H]([NH2+][C@@H]1CCCNC(=O)C1)[C@@H]1CCCO1 ZINC000082667349 487713104 /nfs/dbraw/zinc/71/31/04/487713104.db2.gz ZENLGPIUXQCRNS-AXFHLTTASA-N 1 0 226.320 0.812 10 0 BCAERO C[C@H]1CN(C(=O)COC2(C)C[NH2+]C2)C[C@H](C)O1 ZINC000098060209 487717395 /nfs/dbraw/zinc/71/73/95/487717395.db2.gz KWIPTTZPKMSRKM-UWVGGRQHSA-N 1 0 242.319 0.001 10 0 BCAERO CCC[C@@H]1C[C@@H]1NC(=O)COCC[NH3+] ZINC000226379249 487725906 /nfs/dbraw/zinc/72/59/06/487725906.db2.gz ZTTLMACPLNMCCE-BDAKNGLRSA-N 1 0 200.282 0.267 10 0 BCAERO C[C@@H]1CN(C(=O)CC(C)(C)[NH3+])C[C@@H](C)O1 ZINC000082771501 487727491 /nfs/dbraw/zinc/72/74/91/487727491.db2.gz VSMVAGTWNIDSBD-RKDXNWHRSA-N 1 0 214.309 0.750 10 0 BCAERO O=C(NCC(C1CC1)C1CC1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000088457118 487727978 /nfs/dbraw/zinc/72/79/78/487727978.db2.gz BBDKYCYHOQULMW-ZYHUDNBSSA-N 1 0 238.331 0.262 10 0 BCAERO C[C@@H](NC(=O)CC(C)(C)[NH3+])[C@H]1CCCO1 ZINC000082771832 487729812 /nfs/dbraw/zinc/72/98/12/487729812.db2.gz LZGZEMABSWBUDI-RKDXNWHRSA-N 1 0 214.309 0.798 10 0 BCAERO CC(C)([NH3+])CC(=O)N1CCn2ccnc2C1 ZINC000082772593 487729963 /nfs/dbraw/zinc/72/99/63/487729963.db2.gz QPKHZBQPROUCNT-UHFFFAOYSA-N 1 0 222.292 0.353 10 0 BCAERO C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H]1CCNC1=O ZINC000668424968 487731282 /nfs/dbraw/zinc/73/12/82/487731282.db2.gz DDLBKBDAMJOOQF-BXKDBHETSA-N 1 0 234.299 0.801 10 0 BCAERO CCCNC(=O)CCNC(=O)C[C@H]([NH3+])C(C)C ZINC000136446559 487736127 /nfs/dbraw/zinc/73/61/27/487736127.db2.gz ZVRPZDSJJNFSNR-JTQLQIEISA-N 1 0 243.351 0.392 10 0 BCAERO C[C@H](NC(=O)[C@H]1CC[C@@H]([NH3+])C1)c1nc[nH]n1 ZINC000226408748 487738837 /nfs/dbraw/zinc/73/88/37/487738837.db2.gz LXEHTCXGQZUVNR-BIIVOSGPSA-N 1 0 223.280 0.109 10 0 BCAERO [NH3+][C@@H]1CC[C@H](C(=O)N[C@H]2CCC[C@H](O)C2)C1 ZINC000250680235 487738956 /nfs/dbraw/zinc/73/89/56/487738956.db2.gz XZSSPLONJHYXOS-VLEAKVRGSA-N 1 0 226.320 0.534 10 0 BCAERO Cc1c(CNC(=O)C[C@@H]([NH3+])C(C)C)cnn1C ZINC000226415367 487739756 /nfs/dbraw/zinc/73/97/56/487739756.db2.gz ZJYGTVFHGOOYFN-LLVKDONJSA-N 1 0 238.335 0.718 10 0 BCAERO C([C@H]1C[NH2+]CCO1)N1CCO[C@H]2CCCC[C@H]21 ZINC000250887956 487743072 /nfs/dbraw/zinc/74/30/72/487743072.db2.gz WVSVMKIYTSYOJV-UPJWGTAASA-N 1 0 240.347 0.618 10 0 BCAERO [NH3+][C@@H]1CCCN(C(=O)[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000251104446 487748513 /nfs/dbraw/zinc/74/85/13/487748513.db2.gz KIZILBOPFOJNAV-LMLFDSFASA-N 1 0 208.305 0.982 10 0 BCAERO C[C@@H]1OCC[C@H]1NC(=O)[C@@]1(C)CCC[NH2+]1 ZINC000226449943 487750761 /nfs/dbraw/zinc/75/07/61/487750761.db2.gz UJHVEFHFJCYVAR-IQJOONFLSA-N 1 0 212.293 0.422 10 0 BCAERO CN(C[C@H]1CCCO1)C(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000082921433 487752753 /nfs/dbraw/zinc/75/27/53/487752753.db2.gz VMRPYWWHHCMXRS-MXWKQRLJSA-N 1 0 226.320 0.751 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)NC[C@H]1CCC[C@H]1O ZINC000251315188 487753596 /nfs/dbraw/zinc/75/35/96/487753596.db2.gz LCAPTKXKSLNXKY-GMTAPVOTSA-N 1 0 228.336 0.637 10 0 BCAERO O[C@@H]1C[NH2+][C@H](c2nc(-c3ccco3)no2)C1 ZINC000163673671 487757513 /nfs/dbraw/zinc/75/75/13/487757513.db2.gz WFZMBLYSKXDWNU-BQBZGAKWSA-N 1 0 221.216 0.725 10 0 BCAERO CN1CCC[C@H]1C[N@H+](CCO)CC1CC1 ZINC000675639673 487758255 /nfs/dbraw/zinc/75/82/55/487758255.db2.gz RWYKAMXMDWGCBU-LBPRGKRZSA-N 1 0 212.337 0.785 10 0 BCAERO C[C@H](C(=O)N[C@@H]1CCC[C@@H]1C[NH3+])n1cncn1 ZINC000089091376 487760675 /nfs/dbraw/zinc/76/06/75/487760675.db2.gz IRTDFHLPKNMXHT-OPRDCNLKSA-N 1 0 237.307 0.083 10 0 BCAERO CCn1ccnc(NCC[NH2+]C2CC2)c1=O ZINC000061768471 487761473 /nfs/dbraw/zinc/76/14/73/487761473.db2.gz MXHRYYZXQFVACV-UHFFFAOYSA-N 1 0 222.292 0.427 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@H]1Nc1ncnc2nc[nH]c21 ZINC000089092152 487762017 /nfs/dbraw/zinc/76/20/17/487762017.db2.gz SGVQBIPZVUJOFR-JGVFFNPUSA-N 1 0 232.291 0.892 10 0 BCAERO CCC[C@@H](C)NC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000020433916 487765152 /nfs/dbraw/zinc/76/51/52/487765152.db2.gz HPCGBVMVSMITIZ-IWSPIJDZSA-N 1 0 200.282 0.014 10 0 BCAERO C[C@@H](O)CCNC(=O)[C@]1(C)CCC[NH2+]1 ZINC000082996380 487769584 /nfs/dbraw/zinc/76/95/84/487769584.db2.gz OPUMSCSDYXXUBG-SCZZXKLOSA-N 1 0 200.282 0.016 10 0 BCAERO C[C@H](O)CCNC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000082995860 487769808 /nfs/dbraw/zinc/76/98/08/487769808.db2.gz BDKQFHDUPWRUGI-UWVGGRQHSA-N 1 0 214.309 0.263 10 0 BCAERO CCOC[C@H](O)C[NH2+]C[C@@H]1CCCC[C@@H]1O ZINC000082995043 487768978 /nfs/dbraw/zinc/76/89/78/487768978.db2.gz XCIGWJMMBSMOTH-TUAOUCFPSA-N 1 0 231.336 0.525 10 0 BCAERO C[C@H](O)C1CCN(C(=O)[C@H]2CC[NH2+][C@H]2C)CC1 ZINC000300242301 487774110 /nfs/dbraw/zinc/77/41/10/487774110.db2.gz YXCRCWUWPGKAAQ-NHCYSSNCSA-N 1 0 240.347 0.604 10 0 BCAERO CC(C)NC(=O)CNC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000089450586 487817733 /nfs/dbraw/zinc/81/77/33/487817733.db2.gz GWMZBFSMUMXAAR-VHSXEESVSA-N 1 0 241.335 0.002 10 0 BCAERO Cc1noc(CNC(=O)[C@H]2CCC[C@@H]2C[NH3+])n1 ZINC000089458161 487819647 /nfs/dbraw/zinc/81/96/47/487819647.db2.gz ZIGXTMZLIUFDSE-BDAKNGLRSA-N 1 0 238.291 0.369 10 0 BCAERO c1nc2ncnc(NC[C@H]3CCCC[NH2+]3)c2[nH]1 ZINC000044493456 487819831 /nfs/dbraw/zinc/81/98/31/487819831.db2.gz HAZQAPZWNHSNEQ-MRVPVSSYSA-N 1 0 232.291 0.907 10 0 BCAERO C[C@@H]1CN(C(=O)[C@H]2CCC[C@@H]2C[NH3+])CCCO1 ZINC000089461970 487823822 /nfs/dbraw/zinc/82/38/22/487823822.db2.gz IWFDIYHOVGRRKB-UTUOFQBUSA-N 1 0 240.347 0.999 10 0 BCAERO Cc1cc(CNC(=O)[C@@H]2CCC[C@H]2C[NH3+])no1 ZINC000089460988 487823784 /nfs/dbraw/zinc/82/37/84/487823784.db2.gz BOMRFZASSSCSBK-GXSJLCMTSA-N 1 0 237.303 0.974 10 0 BCAERO COC[C@@H]1CCN(C(=O)[C@H]2CCC[C@@H]2C[NH3+])C1 ZINC000089482036 487825860 /nfs/dbraw/zinc/82/58/60/487825860.db2.gz CZAYVVDFDQLXKU-UTUOFQBUSA-N 1 0 240.347 0.856 10 0 BCAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)C[C@H]1CCCO1 ZINC000252548008 487826457 /nfs/dbraw/zinc/82/64/57/487826457.db2.gz MDVLWZWVBQPGDN-HBNTYKKESA-N 1 0 226.320 0.812 10 0 BCAERO C[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H]1CCC[C@@H]1O ZINC000252616436 487827932 /nfs/dbraw/zinc/82/79/32/487827932.db2.gz ZUYXYJSTMAYZCV-VLEAKVRGSA-N 1 0 226.320 0.262 10 0 BCAERO C[C@H]1OCC[C@@H]1NC(=O)[C@H]1CC[NH2+][C@H]1C ZINC000252744596 487832517 /nfs/dbraw/zinc/83/25/17/487832517.db2.gz OCZQXHUACZJHIM-JXUBOQSCSA-N 1 0 212.293 0.278 10 0 BCAERO C[C@@H]1OCC[C@H]1NC(=O)C[C@H]1CCC[NH2+]C1 ZINC000252750680 487833583 /nfs/dbraw/zinc/83/35/83/487833583.db2.gz WDIWKUOEHGLKGL-HBNTYKKESA-N 1 0 226.320 0.670 10 0 BCAERO CN1CCC[C@H]1C[N@@H+]1CCC[C@@H]1CCO ZINC000196724703 487833247 /nfs/dbraw/zinc/83/32/47/487833247.db2.gz IEOPWJKXIQLTTB-NEPJUHHUSA-N 1 0 212.337 0.927 10 0 BCAERO COC1(CC(=O)N2CCC[C@H]([NH3+])C2)CCC1 ZINC000234576144 487841095 /nfs/dbraw/zinc/84/10/95/487841095.db2.gz DKOZKGXEBFXRGU-JTQLQIEISA-N 1 0 226.320 0.895 10 0 BCAERO CC[C@H](NC(=O)c1cn(CC[NH3+])nn1)C(C)C ZINC000089700475 487845901 /nfs/dbraw/zinc/84/59/01/487845901.db2.gz QYBALDJMZZBYOA-VIFPVBQESA-N 1 0 239.323 0.401 10 0 BCAERO C[C@H]([NH2+]CC[S@@](C)=O)[C@@H]1CCCO1 ZINC000308183654 633190610 /nfs/dbraw/zinc/19/06/10/633190610.db2.gz DUSAQARPLSCXQT-MWODSPESSA-N 1 0 205.323 0.522 10 0 BCAERO COC[C@H]([NH3+])C(=O)NC1CC(C)(C)C1 ZINC000395288335 487849265 /nfs/dbraw/zinc/84/92/65/487849265.db2.gz IIKDBKQDRCAOTF-QMMMGPOBSA-N 1 0 200.282 0.265 10 0 BCAERO COC[C@H](C)NC(=O)[C@@H]1C[C@@H](C)CC[NH2+]1 ZINC000167375408 487853633 /nfs/dbraw/zinc/85/36/33/487853633.db2.gz IKZLJUXMXZTUAV-GUBZILKMSA-N 1 0 214.309 0.526 10 0 BCAERO C[N@H+](C[C@H]1CCC[C@@H](O)C1)CC(C)(CO)CO ZINC000647967155 487865079 /nfs/dbraw/zinc/86/50/79/487865079.db2.gz UUFJCMZWVYFBGK-NWDGAFQWSA-N 1 0 245.363 0.460 10 0 BCAERO C[C@@H]([NH3+])[C@H]1CN(C(=O)CC(F)(F)F)CCO1 ZINC000133013380 487867232 /nfs/dbraw/zinc/86/72/32/487867232.db2.gz RKXKKBGEYMGXOS-RNFRBKRXSA-N 1 0 240.225 0.513 10 0 BCAERO CC[C@](C)(O)C[N@H+](C)C[C@H]1CN(C)CCO1 ZINC000681950820 487869436 /nfs/dbraw/zinc/86/94/36/487869436.db2.gz CLONNWZOMBDWBH-NEPJUHHUSA-N 1 0 230.352 0.410 10 0 BCAERO Cc1cnc([C@@H](C)NC(=O)C[NH2+]C2CC2)o1 ZINC000226707450 487883939 /nfs/dbraw/zinc/88/39/39/487883939.db2.gz NZZLHKHYOISEAR-MRVPVSSYSA-N 1 0 223.276 0.912 10 0 BCAERO CC[C@@](C)(O)C[N@@H+]1CC[C@H](N(C)C)C1 ZINC000229391525 487908686 /nfs/dbraw/zinc/90/86/86/487908686.db2.gz RNSWDYVLBRRDBZ-WDEREUQCSA-N 1 0 200.326 0.783 10 0 BCAERO [NH3+][C@H]1CCCN(C(=O)C[C@H]2CCCO2)C1 ZINC000083524424 487917743 /nfs/dbraw/zinc/91/77/43/487917743.db2.gz PZJXGQDSUKADMQ-VHSXEESVSA-N 1 0 212.293 0.505 10 0 BCAERO COC[C@H](C)NC(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000226753064 487920775 /nfs/dbraw/zinc/92/07/75/487920775.db2.gz CCZKCIKFHFTKGB-LPEHRKFASA-N 1 0 214.309 0.655 10 0 BCAERO CCc1nsc(N2CCO[C@H](C[NH3+])C2)n1 ZINC000083651181 487925370 /nfs/dbraw/zinc/92/53/70/487925370.db2.gz GQSNLJDWZKSDAW-SSDOTTSWSA-N 1 0 228.321 0.264 10 0 BCAERO CCn1ccnc1Cn1cc(C[NH2+]C2CC2)nn1 ZINC000090298014 487929854 /nfs/dbraw/zinc/92/98/54/487929854.db2.gz DQAWKZCMESUJEM-UHFFFAOYSA-N 1 0 246.318 0.795 10 0 BCAERO C[C@H]1OCC[C@@H]1NC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000235301813 487940430 /nfs/dbraw/zinc/94/04/30/487940430.db2.gz SKJIWSQTYLYIHD-KYXWUPHJSA-N 1 0 212.293 0.136 10 0 BCAERO COc1c(C[NH2+]CCOCCF)c(C)nn1C ZINC000663340177 487956760 /nfs/dbraw/zinc/95/67/60/487956760.db2.gz KFEQTWSREABFNW-UHFFFAOYSA-N 1 0 245.298 0.813 10 0 BCAERO CCC1(O)CCN(C(=O)[C@@H](C)[NH2+]C)CC1 ZINC000569378038 322964995 /nfs/dbraw/zinc/96/49/95/322964995.db2.gz DSSCLLKGSNHSKM-SECBINFHSA-N 1 0 214.309 0.358 10 0 BCAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC1(CO)COC1 ZINC000151441870 323016501 /nfs/dbraw/zinc/01/65/01/323016501.db2.gz XBEMSFSGDWZFIE-VXGBXAGGSA-N 1 0 240.347 0.164 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCOCC12CCC2 ZINC000565149689 323032880 /nfs/dbraw/zinc/03/28/80/323032880.db2.gz YWGSTHZGSBYLEI-GHMZBOCLSA-N 1 0 238.331 0.623 10 0 BCAERO CCN(CC(=O)OC)C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000570105698 323050070 /nfs/dbraw/zinc/05/00/70/323050070.db2.gz BGNCVPQDWBNSIO-JTQLQIEISA-N 1 0 242.319 0.398 10 0 BCAERO Cc1cnn(CC[NH2+][C@@H]2CCCN(C)C2=O)c1 ZINC000540905530 323089703 /nfs/dbraw/zinc/08/97/03/323089703.db2.gz IMPUQVSCNUDGLN-LLVKDONJSA-N 1 0 236.319 0.402 10 0 BCAERO COC[C@H]([NH3+])C(=O)NCCC1(C)CC1 ZINC000563095086 323092184 /nfs/dbraw/zinc/09/21/84/323092184.db2.gz KDNUYHMCAOHQMQ-QMMMGPOBSA-N 1 0 200.282 0.267 10 0 BCAERO CC(C)n1nnnc1CN1CCC([NH3+])CC1 ZINC000563152997 323095989 /nfs/dbraw/zinc/09/59/89/323095989.db2.gz FEXVIDQRXSRZFD-UHFFFAOYSA-N 1 0 224.312 0.177 10 0 BCAERO CC(C)(C)[C@@H](O)C[NH2+][C@H](CO)CC(F)F ZINC000563536447 323129025 /nfs/dbraw/zinc/12/90/25/323129025.db2.gz KXQXPJWMTKMKHV-YUMQZZPRSA-N 1 0 225.279 0.999 10 0 BCAERO CC1(S(=O)(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)CC1 ZINC000563621503 323132045 /nfs/dbraw/zinc/13/20/45/323132045.db2.gz ABFSKNJNOAADDC-AEJSXWLSSA-N 1 0 244.360 0.538 10 0 BCAERO Cc1ccc(NC(=O)NC[C@H]2C[NH2+]C[C@@H]2O)cc1 ZINC000414654437 323150983 /nfs/dbraw/zinc/15/09/83/323150983.db2.gz FZQLTHGIAYPOAU-PWSUYJOCSA-N 1 0 249.314 0.697 10 0 BCAERO CN1C[C@H]([NH2+][C@@H]2CCCC[C@H]2O)CC1=O ZINC000308811492 323178835 /nfs/dbraw/zinc/17/88/35/323178835.db2.gz HIDFCGLHOZMGHL-OPRDCNLKSA-N 1 0 212.293 0.110 10 0 BCAERO O[C@@H]1CC[C@@H]2C[N@@H+]([C@@H]3CCOC3)C[C@H]2C1 ZINC000398862927 323194259 /nfs/dbraw/zinc/19/42/59/323194259.db2.gz RNPUSFPDGYPASG-DDHJBXDOSA-N 1 0 211.305 0.868 10 0 BCAERO CCN1CCN(C(=O)[C@@]2(C)CCC[NH2+]2)CC1 ZINC000070618581 323205131 /nfs/dbraw/zinc/20/51/31/323205131.db2.gz NRXDAQMDOCNOGJ-GFCCVEGCSA-N 1 0 225.336 0.293 10 0 BCAERO COCC1([NH2+]Cc2cnn(C)c2C)CC1 ZINC000309041690 323205606 /nfs/dbraw/zinc/20/56/06/323205606.db2.gz LOJZANJUWNTHLB-UHFFFAOYSA-N 1 0 209.293 0.997 10 0 BCAERO CO[C@H](C)CNC(=O)C1CCC([NH3+])CC1 ZINC000083887777 487958913 /nfs/dbraw/zinc/95/89/13/487958913.db2.gz FXHIMRCNAJMGNZ-XNWIYYODSA-N 1 0 214.309 0.655 10 0 BCAERO CCC[C@@H](C(=O)NCCOCCOC)[NH+](C)C ZINC000161780157 323565196 /nfs/dbraw/zinc/56/51/96/323565196.db2.gz FOTKBZSHKKOZAD-NSHDSACASA-N 1 0 246.351 0.496 10 0 BCAERO COc1cc([C@@H]2[NH2+]CC[C@H]2O)ccc1O ZINC000107208078 323942953 /nfs/dbraw/zinc/94/29/53/323942953.db2.gz AZOWGSRWOSHKRG-KOLCDFICSA-N 1 0 209.245 0.796 10 0 BCAERO Cn1nccc1[C@H](C[NH3+])C1(CO)CCC1 ZINC000536952173 323958078 /nfs/dbraw/zinc/95/80/78/323958078.db2.gz BBKJOULPZOBSHP-VIFPVBQESA-N 1 0 209.293 0.625 10 0 BCAERO CCC1(N2CCS(=O)(=O)CC2)CC[NH2+]CC1 ZINC000536952297 323958080 /nfs/dbraw/zinc/95/80/80/323958080.db2.gz CARFUEKIYFLZJH-UHFFFAOYSA-N 1 0 246.376 0.249 10 0 BCAERO c1ccc(O[C@@H]2CO[C@]3(CC[NH2+]C3)C2)nc1 ZINC000253595721 324191599 /nfs/dbraw/zinc/19/15/99/324191599.db2.gz HVKLFMUJXVTWCM-CMPLNLGQSA-N 1 0 220.272 0.981 10 0 BCAERO OC1CC(C[NH2+][C@@H]2CO[C@H](C3CC3)C2)C1 ZINC000529676670 324376061 /nfs/dbraw/zinc/37/60/61/324376061.db2.gz VVAZXSXORUZWKK-SZEJABMVSA-N 1 0 211.305 0.914 10 0 BCAERO C[C@@]1(C(=O)N2CCn3cnnc3C2)CCCC[NH2+]1 ZINC000133486759 325296968 /nfs/dbraw/zinc/29/69/68/325296968.db2.gz KNGDXTTXCTZQKD-LBPRGKRZSA-N 1 0 249.318 0.153 10 0 BCAERO CCOCCCC(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000564321628 325358574 /nfs/dbraw/zinc/35/85/74/325358574.db2.gz NPVMHEFWTMBOBW-WDEREUQCSA-N 1 0 242.319 0.002 10 0 BCAERO Cc1nc(N)nc(N2C[C@@H]3CC[C@H](O)C[C@H]3C2)n1 ZINC000631304043 487968065 /nfs/dbraw/zinc/96/80/65/487968065.db2.gz PEOZPIMISILWTA-GUBZILKMSA-N 1 0 249.318 0.359 10 0 BCAERO CCCOCC(=O)N1CC[C@H]2OCC[NH2+][C@H]2C1 ZINC000404035431 325904552 /nfs/dbraw/zinc/90/45/52/325904552.db2.gz YKOBAEMBBQMCOG-WDEREUQCSA-N 1 0 242.319 0.002 10 0 BCAERO c1cncc(CN2CC[C@H]3OCC[NH2+][C@@H]3C2)c1 ZINC000404077822 325908194 /nfs/dbraw/zinc/90/81/94/325908194.db2.gz GGTLWTQOQPKRQW-CHWSQXEVSA-N 1 0 233.315 0.644 10 0 BCAERO c1snnc1CN1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC000404193266 325923745 /nfs/dbraw/zinc/92/37/45/325923745.db2.gz MCUSZDHMLGXDRB-UWVGGRQHSA-N 1 0 240.332 0.101 10 0 BCAERO Cc1ncc(C[NH2+]C[C@@H]2CN(C)CCO2)n1C ZINC000566690373 326075151 /nfs/dbraw/zinc/07/51/51/326075151.db2.gz OKPIYYZEUSRHBV-GFCCVEGCSA-N 1 0 238.335 0.149 10 0 BCAERO CCC[C@@H](C(=O)N1CCCO1)[NH+](C)C ZINC000154818860 326165864 /nfs/dbraw/zinc/16/58/64/326165864.db2.gz YYHWHYSQNCSVIQ-VIFPVBQESA-N 1 0 200.282 0.881 10 0 BCAERO Cc1cnc(CN2CCO[C@@H]3C[NH2+]C[C@@H]32)o1 ZINC000567986688 326291843 /nfs/dbraw/zinc/29/18/43/326291843.db2.gz BDRVKHYXERNZCH-VHSXEESVSA-N 1 0 223.276 0.156 10 0 BCAERO COc1c(C[NH2+]CC2CC(O)C2)c(C)nn1C ZINC000158341560 326315765 /nfs/dbraw/zinc/31/57/65/326315765.db2.gz SNTCJILTPHZHSB-UHFFFAOYSA-N 1 0 239.319 0.598 10 0 BCAERO OC[C@H]1C[N@H+](Cc2cccc3c2NCC3)C[C@H]1O ZINC000316306186 326349252 /nfs/dbraw/zinc/34/92/52/326349252.db2.gz KHMRHKXVGKEBHM-CHWSQXEVSA-N 1 0 248.326 0.440 10 0 BCAERO OC[C@@H]1C[N@H+](Cc2cccc3c2NCC3)C[C@H]1O ZINC000316306190 326349382 /nfs/dbraw/zinc/34/93/82/326349382.db2.gz KHMRHKXVGKEBHM-QWHCGFSZSA-N 1 0 248.326 0.440 10 0 BCAERO CCC1(O)CCN(C(=O)[C@@H]2CC[NH2+]C2)CC1 ZINC000568776444 326377113 /nfs/dbraw/zinc/37/71/13/326377113.db2.gz HJFFCAOCNZAXEH-SNVBAGLBSA-N 1 0 226.320 0.359 10 0 BCAERO [NH3+][C@H]1CC[C@H](C(=O)N2CCOCC23CCC3)C1 ZINC000569014209 326386627 /nfs/dbraw/zinc/38/66/27/326386627.db2.gz NRBYKDMRDCMCDY-QWRGUYRKSA-N 1 0 238.331 0.895 10 0 BCAERO O=C(C[C@H]1CCC[NH2+]C1)Nc1nc[nH]n1 ZINC000572899681 326418081 /nfs/dbraw/zinc/41/80/81/326418081.db2.gz HRUWNFKGIHDWJV-SSDOTTSWSA-N 1 0 209.253 0.133 10 0 BCAERO C[C@H]1C[C@@H]([NH3+])CCN1C(=O)[C@H]1CCCO1 ZINC000166396157 326432701 /nfs/dbraw/zinc/43/27/01/326432701.db2.gz IECBNUGELGCMIR-LPEHRKFASA-N 1 0 212.293 0.504 10 0 BCAERO CC[C@H]1CN(C(=O)[C@H]2CC[NH2+]C2)[C@H](C)CO1 ZINC000653203582 487973799 /nfs/dbraw/zinc/97/37/99/487973799.db2.gz SHXIASIEYQBLNO-VWYCJHECSA-N 1 0 226.320 0.622 10 0 BCAERO CC(C)[NH2+]CCC(=O)N[C@@H]1CCO[C@@H]1C ZINC000134260199 487975921 /nfs/dbraw/zinc/97/59/21/487975921.db2.gz VOPKMKUILXEVOS-NXEZZACHSA-N 1 0 214.309 0.668 10 0 BCAERO CC(C)[NH2+]CCC(=O)N[C@@H]1CCO[C@H]1C ZINC000134260222 487976055 /nfs/dbraw/zinc/97/60/55/487976055.db2.gz VOPKMKUILXEVOS-VHSXEESVSA-N 1 0 214.309 0.668 10 0 BCAERO CC[C@](C)(O)C[N@@H+]1CC[C@@H](N(C)C)C1 ZINC000229874627 487982907 /nfs/dbraw/zinc/98/29/07/487982907.db2.gz RNSWDYVLBRRDBZ-MNOVXSKESA-N 1 0 200.326 0.783 10 0 BCAERO CC1(NC(=O)[C@@H]2CC[C@H]([NH3+])C2)CCOCC1 ZINC000229902855 487985588 /nfs/dbraw/zinc/98/55/88/487985588.db2.gz MKABNZSMFODJGG-ZJUUUORDSA-N 1 0 226.320 0.799 10 0 BCAERO COc1c(N)ncnc1N[C@@H]1CCO[C@H]1C ZINC000134607537 487991154 /nfs/dbraw/zinc/99/11/54/487991154.db2.gz STGUWWNTUSRIKX-NKWVEPMBSA-N 1 0 224.264 0.657 10 0 BCAERO COc1c(N)ncnc1N[C@H]1CCO[C@@H]1C ZINC000134607559 487991535 /nfs/dbraw/zinc/99/15/35/487991535.db2.gz STGUWWNTUSRIKX-RQJHMYQMSA-N 1 0 224.264 0.657 10 0 BCAERO CC(C)OCCNC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000159126220 487994883 /nfs/dbraw/zinc/99/48/83/487994883.db2.gz LJSGGCCFPWKBLY-ZJUUUORDSA-N 1 0 214.309 0.655 10 0 BCAERO CC(C)[C@@H]([NH3+])CC(=O)N(C)[C@H]1CCOC1 ZINC000134689538 487994377 /nfs/dbraw/zinc/99/43/77/487994377.db2.gz NDHAXZVMGHJBKT-UWVGGRQHSA-N 1 0 214.309 0.607 10 0 BCAERO CC(C)OCCNC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000159156083 487996763 /nfs/dbraw/zinc/99/67/63/487996763.db2.gz RZDLZBDJSVDGNZ-WDEREUQCSA-N 1 0 228.336 0.903 10 0 BCAERO CC(C)OCCNC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000159155953 487996852 /nfs/dbraw/zinc/99/68/52/487996852.db2.gz RZDLZBDJSVDGNZ-MNOVXSKESA-N 1 0 228.336 0.903 10 0 BCAERO COC(C)(C)CNC(=O)C[C@H]([NH3+])C(C)C ZINC000159171796 487997691 /nfs/dbraw/zinc/99/76/91/487997691.db2.gz GBACIVVZZZEHIB-VIFPVBQESA-N 1 0 216.325 0.901 10 0 BCAERO CC[C@@H]([NH3+])c1cn(Cc2nccn2CC)nn1 ZINC000229934388 487999247 /nfs/dbraw/zinc/99/92/47/487999247.db2.gz BVTNMNBWCOJYPG-SECBINFHSA-N 1 0 234.307 0.953 10 0 BCAERO CCOc1cc(N2CC[NH2+]C[C@@H]2C)nc(C)n1 ZINC000090787844 488000292 /nfs/dbraw/zinc/00/02/92/488000292.db2.gz JSDFQSCTXYSBCS-VIFPVBQESA-N 1 0 236.319 0.982 10 0 BCAERO CCOc1cc(N(C)[C@H]2CC[NH2+]C2)nc(C)n1 ZINC000090787878 488000738 /nfs/dbraw/zinc/00/07/38/488000738.db2.gz GBPGWFHSGIDNSO-JTQLQIEISA-N 1 0 236.319 0.982 10 0 BCAERO CCOc1cc(N2CC[NH2+]C[C@H]2C)nc(C)n1 ZINC000090787845 488000769 /nfs/dbraw/zinc/00/07/69/488000769.db2.gz JSDFQSCTXYSBCS-SECBINFHSA-N 1 0 236.319 0.982 10 0 BCAERO CN1C[C@@H](C[NH2+]CC[C@@H]2CCOC2)CC1=O ZINC000668616235 488009496 /nfs/dbraw/zinc/00/94/96/488009496.db2.gz KCKUGQJJXXWOBL-GHMZBOCLSA-N 1 0 226.320 0.481 10 0 BCAERO COc1cc(OC)nc(NC2CC[NH2+]CC2)n1 ZINC000135008144 488009571 /nfs/dbraw/zinc/00/95/71/488009571.db2.gz MMJZCMRUMKQFJG-UHFFFAOYSA-N 1 0 238.291 0.658 10 0 BCAERO C[C@@H]1CSC[C@H]1[NH2+]C[C@H]1CC(=O)N(C)C1 ZINC000668616681 488010265 /nfs/dbraw/zinc/01/02/65/488010265.db2.gz PAVSBXOGHTWFRB-OPRDCNLKSA-N 1 0 228.361 0.806 10 0 BCAERO CN1C[C@H](C[NH2+][C@@H]2CO[C@@H](C3CC3)C2)CC1=O ZINC000668617491 488014719 /nfs/dbraw/zinc/01/47/19/488014719.db2.gz YWSWWVRMDQXCFO-ZMLRMANQSA-N 1 0 238.331 0.622 10 0 BCAERO Cc1cc(C)nc(NC[C@@H]2COCC[NH2+]2)n1 ZINC000235836478 488024288 /nfs/dbraw/zinc/02/42/88/488024288.db2.gz XUVFZLNYHLUTRK-SNVBAGLBSA-N 1 0 222.292 0.494 10 0 BCAERO C[C@@H](O)CCC[N@H+](C)C[C@@H]1CN(C)CCO1 ZINC000682759780 488031557 /nfs/dbraw/zinc/03/15/57/488031557.db2.gz WSECJKWANZAKHY-VXGBXAGGSA-N 1 0 230.352 0.410 10 0 BCAERO CC(C)[C@H](C)[NH+]1CCC(O)(C(N)=O)CC1 ZINC000318989074 488034851 /nfs/dbraw/zinc/03/48/51/488034851.db2.gz KCCOSZDJOQYKMD-VIFPVBQESA-N 1 0 214.309 0.343 10 0 BCAERO C[C@@H]1CN(Cc2cn[nH]c2)C[C@H]1[NH+](C)C ZINC000685458812 488037038 /nfs/dbraw/zinc/03/70/38/488037038.db2.gz DAQQGLULYLJDCR-MWLCHTKSSA-N 1 0 208.309 0.792 10 0 BCAERO Cc1nnsc1C(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000084212614 488037867 /nfs/dbraw/zinc/03/78/67/488037867.db2.gz UQNNPVRQZCLFCP-SFYZADRCSA-N 1 0 240.332 0.704 10 0 BCAERO Clc1cnc(NC[C@H]2COCC[NH2+]2)nc1 ZINC000236057109 488039074 /nfs/dbraw/zinc/03/90/74/488039074.db2.gz JOUSPSQDNUVOHZ-QMMMGPOBSA-N 1 0 228.683 0.530 10 0 BCAERO CC(C)([NH3+])CCC(=O)NC[C@H]1CCC[C@H]1O ZINC000084238327 488039676 /nfs/dbraw/zinc/03/96/76/488039676.db2.gz OETXJRAVNWZWLJ-NXEZZACHSA-N 1 0 228.336 0.781 10 0 BCAERO COC[C@@H]1C[N@@H+]([C@@H]2CCC[C@H]2O)CCO1 ZINC000659952934 488042085 /nfs/dbraw/zinc/04/20/85/488042085.db2.gz RMVRRVWLMOYDCJ-HBNTYKKESA-N 1 0 215.293 0.247 10 0 BCAERO COCCNC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000084308561 488042378 /nfs/dbraw/zinc/04/23/78/488042378.db2.gz BVNZFTJAPKPRAX-IUCAKERBSA-N 1 0 200.282 0.124 10 0 BCAERO CN1CCN(C(=O)[C@@H]2CCC[C@H]2C[NH3+])CC1 ZINC000084308549 488042431 /nfs/dbraw/zinc/04/24/31/488042431.db2.gz JOABIALIKKYGQS-WDEREUQCSA-N 1 0 225.336 0.135 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N[C@@H]1CCCOC1 ZINC000084310932 488044874 /nfs/dbraw/zinc/04/48/74/488044874.db2.gz OAVFCYJZJDWYQP-AXFHLTTASA-N 1 0 226.320 0.657 10 0 BCAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)NCc1c[nH]cn1 ZINC000084311422 488044939 /nfs/dbraw/zinc/04/49/39/488044939.db2.gz PDCGEKPGLACRCZ-PSASIEDQSA-N 1 0 222.292 0.401 10 0 BCAERO O=C(C[C@@H]1CC[NH2+]C1)NCC[C@H]1CCCO1 ZINC000084382486 488048115 /nfs/dbraw/zinc/04/81/15/488048115.db2.gz FFSLNVAJGZJIGK-WDEREUQCSA-N 1 0 226.320 0.671 10 0 BCAERO CCS(=O)(=O)c1ccc(NC2C[NH2+]C2)cc1 ZINC000084417330 488051509 /nfs/dbraw/zinc/05/15/09/488051509.db2.gz AFVJMTWGLRSGQR-UHFFFAOYSA-N 1 0 240.328 0.864 10 0 BCAERO [NH3+]C[C@H](NC(=O)c1nnc[nH]1)C1CCCC1 ZINC000236271441 488055634 /nfs/dbraw/zinc/05/56/34/488055634.db2.gz WDNFZSMLIWAOAP-QMMMGPOBSA-N 1 0 223.280 0.052 10 0 BCAERO [NH3+]C[C@@H]1CCCN1C(=O)Cc1cscn1 ZINC000257668771 488078272 /nfs/dbraw/zinc/07/82/72/488078272.db2.gz LKQDHVAJJJNEIJ-VIFPVBQESA-N 1 0 225.317 0.635 10 0 BCAERO C[C@]1(C(=O)N[C@H]2CCC[C@H](O)C2)CCCC[NH2+]1 ZINC000136169269 488083106 /nfs/dbraw/zinc/08/31/06/488083106.db2.gz CEXGZWUVMBGOAB-GMXVVIOVSA-N 1 0 240.347 0.938 10 0 BCAERO Cc1cc(C(=O)N2CCC[C@H]2C[NH3+])ncn1 ZINC000257701938 488085183 /nfs/dbraw/zinc/08/51/83/488085183.db2.gz OJNFFSQISFWDAQ-VIFPVBQESA-N 1 0 220.276 0.348 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N1CCC[C@H]1COC ZINC000236805352 488089200 /nfs/dbraw/zinc/08/92/00/488089200.db2.gz BMFRBEVKHIDWPQ-UWVGGRQHSA-N 1 0 214.309 0.751 10 0 BCAERO CCCCOC[C@@H](O)CN1CC[C@@H]([NH+](C)C)C1 ZINC000227906818 488094328 /nfs/dbraw/zinc/09/43/28/488094328.db2.gz NERFVNDRTAKYBR-OLZOCXBDSA-N 1 0 244.379 0.800 10 0 BCAERO CC(C)[C@@H]([NH3+])CC(=O)N[C@@H](C)Cn1cccn1 ZINC000136317154 488095400 /nfs/dbraw/zinc/09/54/00/488095400.db2.gz CZKFEIQBHSJZFV-QWRGUYRKSA-N 1 0 238.335 0.761 10 0 BCAERO O=C(N[C@H]1CCCC[C@@H]1O)[C@@H]1CC[NH2+]C1 ZINC000062116832 488096393 /nfs/dbraw/zinc/09/63/93/488096393.db2.gz WPJNNSPJQCWZSR-UTLUCORTSA-N 1 0 212.293 0.016 10 0 BCAERO O=C(C[C@H]1CC[NH2+]C1)NC[C@H]1CCC[C@@H]1O ZINC000227642896 488096819 /nfs/dbraw/zinc/09/68/19/488096819.db2.gz QOLAQUTWPCLNNS-MXWKQRLJSA-N 1 0 226.320 0.263 10 0 BCAERO CC(C)[C@@H]([NH3+])CC(=O)Nc1ccc(=O)n(C)c1 ZINC000136372112 488099711 /nfs/dbraw/zinc/09/97/11/488099711.db2.gz SKIZVQAIXTXXAC-JTQLQIEISA-N 1 0 237.303 0.697 10 0 BCAERO CCOC[C@@H](O)CN1CC[C@H]([NH+](C)C)C1 ZINC000068951248 488116089 /nfs/dbraw/zinc/11/60/89/488116089.db2.gz VNZOITPNKOWCSY-QWRGUYRKSA-N 1 0 216.325 0.020 10 0 BCAERO COC1(CC[N@@H+]2CCOC[C@@H]2CO)CCC1 ZINC000310236826 488120173 /nfs/dbraw/zinc/12/01/73/488120173.db2.gz HWXPUBUFJCZOQT-NSHDSACASA-N 1 0 229.320 0.639 10 0 BCAERO COC[C@H](C)C(=O)N1CCC(C[NH3+])CC1 ZINC000237230897 488124326 /nfs/dbraw/zinc/12/43/26/488124326.db2.gz RBBXZUBZFSTFJE-VIFPVBQESA-N 1 0 214.309 0.466 10 0 BCAERO CCc1nsc(N2CCC(O)(C[NH3+])CC2)n1 ZINC000396999997 487538126 /nfs/dbraw/zinc/53/81/26/487538126.db2.gz ACZIUSRICQFKOX-UHFFFAOYSA-N 1 0 242.348 0.391 10 0 BCAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NCCn1ccnc1 ZINC000094647541 487547895 /nfs/dbraw/zinc/54/78/95/487547895.db2.gz SMXZYKNYXIGWIL-QWRGUYRKSA-N 1 0 236.319 0.387 10 0 BCAERO C[NH2+][C@@H](C)C(=O)N[C@@H](C)[C@@H]1CCCO1 ZINC000227152405 487555630 /nfs/dbraw/zinc/55/56/30/487555630.db2.gz FLQWRWZVZYUIIN-CIUDSAMLSA-N 1 0 200.282 0.278 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N[C@H](C(C)C)C1CC1 ZINC000323957166 487470751 /nfs/dbraw/zinc/47/07/51/487470751.db2.gz FNJCPPRBULZUGA-NXEZZACHSA-N 1 0 214.309 0.511 10 0 BCAERO C[NH2+][C@H](C)C(=O)N[C@H](C)c1ncc(C)o1 ZINC000231742846 487472886 /nfs/dbraw/zinc/47/28/86/487472886.db2.gz VRQBMRHSAJLSEE-HTQZYQBOSA-N 1 0 211.265 0.768 10 0 BCAERO Cc1cnc([C@H](C)NC(=O)[C@@H]2CC[NH2+]C2)o1 ZINC000231744126 487473743 /nfs/dbraw/zinc/47/37/43/487473743.db2.gz IUXDYRBCDFRNES-DTWKUNHWSA-N 1 0 223.276 0.770 10 0 BCAERO C[NH2+]C[C@H](C)C(=O)NCC[C@@H]1CCCO1 ZINC000086067410 487477440 /nfs/dbraw/zinc/47/74/40/487477440.db2.gz VKDPKIFNDJUXDN-UWVGGRQHSA-N 1 0 214.309 0.527 10 0 BCAERO Cc1cccc(NC(=O)[C@H]2C[C@@H](O)C[NH2+]2)c1O ZINC000093654884 487481164 /nfs/dbraw/zinc/48/11/64/487481164.db2.gz VTARVFFWRSXPKK-PSASIEDQSA-N 1 0 236.271 0.362 10 0 BCAERO CC(C)([NH3+])c1cn(CCC(C)(C)O)nn1 ZINC000086237359 487491714 /nfs/dbraw/zinc/49/17/14/487491714.db2.gz ZSLWMVXKIGNGPE-UHFFFAOYSA-N 1 0 212.297 0.633 10 0 BCAERO [NH3+]C1CCC(C(=O)Nc2cncnc2)CC1 ZINC000232089488 487511371 /nfs/dbraw/zinc/51/13/71/487511371.db2.gz YMIHPRAYLUJOHJ-UHFFFAOYSA-N 1 0 220.276 0.933 10 0 BCAERO CCC[C@H](O)C[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000062982438 487508036 /nfs/dbraw/zinc/50/80/36/487508036.db2.gz XQMHXYYFTHKWEA-STQMWFEESA-N 1 0 242.363 0.554 10 0 BCAERO [NH3+]Cc1cn(C[C@@H](O)CC2CCCC2)nn1 ZINC000232149390 487517513 /nfs/dbraw/zinc/51/75/13/487517513.db2.gz JHNJMMHBYXDSQZ-NSHDSACASA-N 1 0 224.308 0.678 10 0 BCAERO C[C@H](CCCCO)[NH2+][C@@H]1CCNC1=O ZINC000658052010 487534363 /nfs/dbraw/zinc/53/43/63/487534363.db2.gz GNASVAYLJMYTGO-RKDXNWHRSA-N 1 0 200.282 0.016 10 0 BCAERO [NH3+]C1(CC(=O)NC[C@H]2CCC[C@H]2O)CC1 ZINC000398116445 487605225 /nfs/dbraw/zinc/60/52/25/487605225.db2.gz PJDDHQLSVBSTEE-RKDXNWHRSA-N 1 0 212.293 0.145 10 0 BCAERO CCN(C[C@@H]1CCOC1)C(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000091544644 487897017 /nfs/dbraw/zinc/89/70/17/487897017.db2.gz URFQZCSPJVLZNT-TUAOUCFPSA-N 1 0 240.347 0.999 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N[C@@H]1CCSC1 ZINC000227428924 487898948 /nfs/dbraw/zinc/89/89/48/487898948.db2.gz PXORRLBLKYEFEZ-AEJSXWLSSA-N 1 0 228.361 0.983 10 0 BCAERO C[C@@H]1CN(C(=O)[C@H]2CCCOC2)C[C@@H]1[NH3+] ZINC000235339418 487943934 /nfs/dbraw/zinc/94/39/34/487943934.db2.gz FLRLJZRWNCECBN-UTLUCORTSA-N 1 0 212.293 0.219 10 0 BCAERO CN1CCO[C@H](C[NH2+][C@@H]2CO[C@H](C3CC3)C2)C1 ZINC000667854416 488139087 /nfs/dbraw/zinc/13/90/87/488139087.db2.gz BPYHOCPIFWQQNP-XQQFMLRXSA-N 1 0 240.347 0.474 10 0 BCAERO Cn1c2ccccc2nc1NC[C@@H]1COCC[NH2+]1 ZINC000236099745 488141776 /nfs/dbraw/zinc/14/17/76/488141776.db2.gz HECQVJWTHXFXHJ-SNVBAGLBSA-N 1 0 246.314 0.974 10 0 BCAERO C[C@H](O)C[N@H+](C)C[C@@H]1CCC[C@@H](O)C1 ZINC000379648602 488145429 /nfs/dbraw/zinc/14/54/29/488145429.db2.gz BTGAMHVSMBPONA-HBNTYKKESA-N 1 0 201.310 0.850 10 0 BCAERO CN1CCC[C@H]1C[N@@H+]1CCCC[C@H]1CO ZINC000379786614 488150484 /nfs/dbraw/zinc/15/04/84/488150484.db2.gz BFUFDULDXKXANT-RYUDHWBXSA-N 1 0 212.337 0.927 10 0 BCAERO CN(C)C(=O)C[NH2+][C@H]1CO[C@H](C2CC2)C1 ZINC000667931524 488161012 /nfs/dbraw/zinc/16/10/12/488161012.db2.gz HBGNBUCTINAILI-ZJUUUORDSA-N 1 0 212.293 0.232 10 0 BCAERO [NH3+][C@@H]1CC[C@H](C(=O)N2CCCc3n[nH]cc3C2)C1 ZINC000404617371 488172230 /nfs/dbraw/zinc/17/22/30/488172230.db2.gz KWKNCRBVEUJVHK-GXSJLCMTSA-N 1 0 248.330 0.812 10 0 BCAERO CO[C@@H](C)CNC(=O)C[C@H]([NH3+])C(C)C ZINC000223717289 488177329 /nfs/dbraw/zinc/17/73/29/488177329.db2.gz AIMSRDYIMMQGOF-IUCAKERBSA-N 1 0 202.298 0.511 10 0 BCAERO C[C@H](NC(=O)CC[NH2+]C1CC1)[C@H]1CCCO1 ZINC000037478327 488185790 /nfs/dbraw/zinc/18/57/90/488185790.db2.gz AIQACUFTOSGCDW-GXSJLCMTSA-N 1 0 226.320 0.812 10 0 BCAERO O=C(CC[NH2+]C1CC1)N[C@@H]1CCC[C@H](O)C1 ZINC000037478446 488185795 /nfs/dbraw/zinc/18/57/95/488185795.db2.gz WNPAOYUWHPUVBT-MNOVXSKESA-N 1 0 226.320 0.548 10 0 BCAERO CC(C)[C@@H]([NH3+])CC(=O)N[C@@H]1CCSC1 ZINC000231353278 488200928 /nfs/dbraw/zinc/20/09/28/488200928.db2.gz LBUJBWMSYLPKFD-BDAKNGLRSA-N 1 0 216.350 0.982 10 0 BCAERO C[NH2+][C@@H](C)C(=O)N[C@@H](C)[C@H]1CCCO1 ZINC000308460870 488204347 /nfs/dbraw/zinc/20/43/47/488204347.db2.gz FLQWRWZVZYUIIN-XHNCKOQMSA-N 1 0 200.282 0.278 10 0 BCAERO C[NH2+][C@H](C)C(=O)Nc1ccc(C(=O)N(C)C)cc1 ZINC000054073222 488205796 /nfs/dbraw/zinc/20/57/96/488205796.db2.gz AUDAHOXIXKYDSU-SECBINFHSA-N 1 0 249.314 0.935 10 0 BCAERO C([C@@H]1C[NH2+]CCO1)N1CCO[C@H]2CCCC[C@H]21 ZINC000043803071 488207390 /nfs/dbraw/zinc/20/73/90/488207390.db2.gz WVSVMKIYTSYOJV-XQQFMLRXSA-N 1 0 240.347 0.618 10 0 BCAERO C[C@@H]1C[C@H](CO)C[N@@H+]([C@@H]2CCC[C@H]2O)C1 ZINC000398625147 488220569 /nfs/dbraw/zinc/22/05/69/488220569.db2.gz HKXNNAYATBWXQD-WRWGMCAJSA-N 1 0 213.321 0.850 10 0 BCAERO Cn1nccc1NC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000084310449 488221498 /nfs/dbraw/zinc/22/14/98/488221498.db2.gz FAIUQNJEDYYHDY-RKDXNWHRSA-N 1 0 222.292 0.734 10 0 BCAERO c1n[nH]cc1CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000678257070 488227378 /nfs/dbraw/zinc/22/73/78/488227378.db2.gz NXJFVCQBWCGQOX-NSHDSACASA-N 1 0 206.293 0.690 10 0 BCAERO O=C(C[C@@H]1CCC[NH2+]C1)N[C@@H]1CCC[C@@H](O)C1 ZINC000054306297 488244312 /nfs/dbraw/zinc/24/43/12/488244312.db2.gz JQLJCTNNMDKNIM-QJPTWQEYSA-N 1 0 240.347 0.796 10 0 BCAERO CCN1CCO[C@H](C[NH2+]CC(C)C)C1 ZINC000078641790 490204589 /nfs/dbraw/zinc/20/45/89/490204589.db2.gz MYZKSFOPMJXIDG-LLVKDONJSA-N 1 0 200.326 0.953 10 0 BCAERO CN1CCO[C@@H](C[N@H+](C)CC2(O)CCCC2)C1 ZINC000123738199 490257744 /nfs/dbraw/zinc/25/77/44/490257744.db2.gz YKXXEYJTTMDQDF-GFCCVEGCSA-N 1 0 242.363 0.554 10 0 BCAERO CO[C@H]1C[NH2+][C@@H](C(=O)NC2CC(C)(C)C2)C1 ZINC000395196194 490325480 /nfs/dbraw/zinc/32/54/80/490325480.db2.gz CNGICYDBVQIDHJ-NXEZZACHSA-N 1 0 226.320 0.668 10 0 BCAERO O=C(N1CCCCCC1)[C@@]1(O)CCC[NH2+]C1 ZINC000216223377 490361827 /nfs/dbraw/zinc/36/18/27/490361827.db2.gz ZLQWHXXFURKHJW-GFCCVEGCSA-N 1 0 226.320 0.504 10 0 BCAERO C[C@]1(C(=O)NCc2c[nH]cn2)CCC[NH2+]1 ZINC000084081204 490365275 /nfs/dbraw/zinc/36/52/75/490365275.db2.gz MIMKCFHLDIXTHR-SNVBAGLBSA-N 1 0 208.265 0.168 10 0 BCAERO CC(C)OC[C@H](O)C[NH2+]C[C@@H]1CCC[C@@H]1O ZINC000084237195 490382776 /nfs/dbraw/zinc/38/27/76/490382776.db2.gz SPSCDOVAPYXUPY-TUAOUCFPSA-N 1 0 231.336 0.523 10 0 BCAERO CO[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CN(C)CCO2)C1 ZINC000217778839 490483999 /nfs/dbraw/zinc/48/39/99/490483999.db2.gz XHWICAVGAWIEFM-YNEHKIRRSA-N 1 0 242.363 0.864 10 0 BCAERO Cc1nccnc1NC[C@@H]1COCC[NH2+]1 ZINC000235817984 491070878 /nfs/dbraw/zinc/07/08/78/491070878.db2.gz RGHFZRWTBRQUOG-SECBINFHSA-N 1 0 208.265 0.185 10 0 BCAERO C[NH2+]C[C@@H]1C[C@@H](F)CN1Cc1ncccn1 ZINC000396479522 491123276 /nfs/dbraw/zinc/12/32/76/491123276.db2.gz WTMOVJCGRWAXNV-ZJUUUORDSA-N 1 0 224.283 0.608 10 0 BCAERO CCc1nc(CC[NH2+]C2CSC2)no1 ZINC000308621967 491137453 /nfs/dbraw/zinc/13/74/53/491137453.db2.gz UHWCXOQWECZBKI-UHFFFAOYSA-N 1 0 213.306 0.880 10 0 BCAERO C[C@@H]1CN(C)C[C@@H]1[NH2+][C@@H]1CCC[C@@H](O)C1 ZINC000309112634 491144878 /nfs/dbraw/zinc/14/48/78/491144878.db2.gz KFLNSOWVEPYIEK-KKOKHZNYSA-N 1 0 212.337 0.830 10 0 BCAERO C[C@H]1C[C@@H]1C[NH2+]C1CCN(CCO)CC1 ZINC000309131199 491145407 /nfs/dbraw/zinc/14/54/07/491145407.db2.gz RAKKRBWORDSUIM-WDEREUQCSA-N 1 0 212.337 0.689 10 0 BCAERO CC1(C)[C@H](O)C[C@@H]1[NH2+]CC1(O)CCSCC1 ZINC000309520333 491149852 /nfs/dbraw/zinc/14/98/52/491149852.db2.gz ZVNLGSGWDTVTTI-VHSXEESVSA-N 1 0 245.388 0.994 10 0 BCAERO OCCN1CCC[C@@H]([NH2+]C[C@@H]2CCSC2)C1 ZINC000309630221 491153236 /nfs/dbraw/zinc/15/32/36/491153236.db2.gz KCZSQRRHIBHLNY-NWDGAFQWSA-N 1 0 244.404 0.786 10 0 BCAERO CC(C)CN(C)c1noc([C@@H](N)CCC[NH3+])n1 ZINC000757126908 582501602 /nfs/dbraw/zinc/50/16/02/582501602.db2.gz WQICUIVHEWCFKG-VIFPVBQESA-N 1 0 241.339 0.901 10 0 BCAERO C1C[C@@]2(CO1)CC[NH2+][C@]1(CCCOC1)O2 ZINC000757138105 582517493 /nfs/dbraw/zinc/51/74/93/582517493.db2.gz AGLSOTHYTTXVID-GHMZBOCLSA-N 1 0 213.277 0.662 10 0 BCAERO CC1(C)CC2(C1)[NH2+]C[C@]1(COCCN1)CO2 ZINC000757138661 582518390 /nfs/dbraw/zinc/51/83/90/582518390.db2.gz DEYVMBQNXQWCLU-NSHDSACASA-N 1 0 226.320 0.481 10 0 BCAERO CO[C@@H](C)c1nsc(N2CC[C@@H]2C[NH3+])n1 ZINC000757139373 582519927 /nfs/dbraw/zinc/51/99/27/582519927.db2.gz BDOGWGIPDVRXPQ-NKWVEPMBSA-N 1 0 228.321 0.783 10 0 BCAERO [NH3+]C[C@@H]1CCN1c1cnc2c(n1)CCC2 ZINC000757143632 582523826 /nfs/dbraw/zinc/52/38/26/582523826.db2.gz HJNVYWVCPXMGHX-QMMMGPOBSA-N 1 0 204.277 0.503 10 0 BCAERO C[N@@H+]1CCC[C@@]2(CC1)NC1(COC1)CCO2 ZINC000757144639 582525411 /nfs/dbraw/zinc/52/54/11/582525411.db2.gz GKIGFKJATOQAJS-GFCCVEGCSA-N 1 0 226.320 0.577 10 0 BCAERO CCC[C@H]([NH3+])CS(=O)(=O)N1CCCCC1 ZINC000757153150 582537623 /nfs/dbraw/zinc/53/76/23/582537623.db2.gz NOOMOMXIEKUIHH-JTQLQIEISA-N 1 0 234.365 0.930 10 0 BCAERO C1OCC12CCOC1(CCSCC1)N2 ZINC000757153566 582539335 /nfs/dbraw/zinc/53/93/35/582539335.db2.gz XSBOUXILHVSCPJ-UHFFFAOYSA-N 1 0 215.318 0.989 10 0 BCAERO C[C@H]1COCC[C@]12[NH2+]CCc1nc[nH]c12 ZINC000400502116 582579532 /nfs/dbraw/zinc/57/95/32/582579532.db2.gz HHEOHLATFQZSBE-KWQFWETISA-N 1 0 207.277 0.807 10 0 BCAERO COC(=O)N1CCC([NH2+][C@@H]2C[C@H]2CO)CC1 ZINC000309637964 533948174 /nfs/dbraw/zinc/94/81/74/533948174.db2.gz JZWTXNSFYXZJGE-WCBMZHEXSA-N 1 0 228.292 0.188 10 0 BCAERO Nc1cnn2c1NCC[C@@H]2[C@@H]1CCC[NH2+]C1 ZINC000236376188 582654094 /nfs/dbraw/zinc/65/40/94/582654094.db2.gz FCTZTTDIEWRIGR-PSASIEDQSA-N 1 0 221.308 0.822 10 0 BCAERO CCCn1cc(C[NH2+][C@@H]2CCCNC2=O)cn1 ZINC000227286183 535614016 /nfs/dbraw/zinc/61/40/16/535614016.db2.gz CSCHTPHZDUEHOI-LLVKDONJSA-N 1 0 236.319 0.661 10 0 BCAERO C[C@H](O)CCC[N@@H+]1C[C@H](C)C[C@@H](O)C1 ZINC000401569645 534053506 /nfs/dbraw/zinc/05/35/06/534053506.db2.gz DFYDWXIJWQPAGP-OUAUKWLOSA-N 1 0 201.310 0.850 10 0 BCAERO CC[C@@H](O)CN1CCO[C@@H](C[NH+](C)C)C1 ZINC000173701042 535813297 /nfs/dbraw/zinc/81/32/97/535813297.db2.gz WCDANRMMEDKGPO-MNOVXSKESA-N 1 0 216.325 0.020 10 0 BCAERO CC(=O)NCCCN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000177756570 534391552 /nfs/dbraw/zinc/39/15/52/534391552.db2.gz QAHBQDXHUMRZPK-CYBMUJFWSA-N 1 0 239.363 0.683 10 0 BCAERO CC(C)CCC(=O)NCCOCC[NH3+] ZINC000082589702 519635648 /nfs/dbraw/zinc/63/56/48/519635648.db2.gz DHWCIXOGPQPORB-UHFFFAOYSA-N 1 0 202.298 0.514 10 0 BCAERO CCN(C)[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[NH3+] ZINC000238856141 520275604 /nfs/dbraw/zinc/27/56/04/520275604.db2.gz UYSQIPDQTNSPFU-ZJUUUORDSA-N 1 0 243.351 0.885 10 0 BCAERO CC(C)(C)C[C@H](O)CN[C@@H]1CC[NH2+]C1 ZINC000226071351 534651142 /nfs/dbraw/zinc/65/11/42/534651142.db2.gz DQEUWUHMLBXVJI-ZJUUUORDSA-N 1 0 200.326 0.735 10 0 BCAERO CC(C)(C)NC(=O)CNC(=O)C[C@H]1CC[NH2+]C1 ZINC000089741448 534698011 /nfs/dbraw/zinc/69/80/11/534698011.db2.gz ZQTCBBNPFRFJOJ-SECBINFHSA-N 1 0 241.335 0.017 10 0 BCAERO C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CS(=O)(=O)C[C@@H]1O ZINC000252215267 524142621 /nfs/dbraw/zinc/14/26/21/524142621.db2.gz XMKDWHLIEMVMCH-RCWTZXSCSA-N 1 0 247.360 0.313 10 0 BCAERO Cc1cccc(N2CCN(C(=O)C[NH3+])C[C@H]2C)c1 ZINC000229012200 524545147 /nfs/dbraw/zinc/54/51/47/524545147.db2.gz OAKCOHFVOMKFDW-GFCCVEGCSA-N 1 0 247.342 0.991 10 0 BCAERO CC[NH2+][C@@](C)(Cn1cc(C)cn1)C(N)=O ZINC000045436387 582879082 /nfs/dbraw/zinc/87/90/82/582879082.db2.gz GIZXRNUVJNIHIX-JTQLQIEISA-N 1 0 210.281 0.045 10 0 BCAERO CC(C)[NH2+][C@@](C)(Cn1ccnc1)C(N)=O ZINC000045432243 582879122 /nfs/dbraw/zinc/87/91/22/582879122.db2.gz DTALEEUMXJIWBF-JTQLQIEISA-N 1 0 210.281 0.125 10 0 BCAERO Cc1nccn1CCC[C@@](C)([NH3+])C(N)=O ZINC000045432566 582879296 /nfs/dbraw/zinc/87/92/96/582879296.db2.gz DYXXDFVLHPUHJL-SNVBAGLBSA-N 1 0 210.281 0.174 10 0 BCAERO CC[NH2+][C@](C)(Cn1cc(C)cn1)C(N)=O ZINC000045436389 582879328 /nfs/dbraw/zinc/87/93/28/582879328.db2.gz GIZXRNUVJNIHIX-SNVBAGLBSA-N 1 0 210.281 0.045 10 0 BCAERO COC(=O)[C@@](C)([NH3+])CCCn1cccn1 ZINC000045434635 582879502 /nfs/dbraw/zinc/87/95/02/582879502.db2.gz UMBGUXUISTZXTC-JTQLQIEISA-N 1 0 211.265 0.554 10 0 BCAERO CC[NH2+][C@](C)(Cn1cc(Cl)cn1)C(N)=O ZINC000045436915 582880223 /nfs/dbraw/zinc/88/02/23/582880223.db2.gz UHHJGDBGYXZTKR-SECBINFHSA-N 1 0 230.699 0.390 10 0 BCAERO O=C1OCCN1CCC[NH2+][C@@H]1CCCC[C@H]1O ZINC000496856972 534806649 /nfs/dbraw/zinc/80/66/49/534806649.db2.gz LQKHVUHVWVIPIN-GHMZBOCLSA-N 1 0 242.319 0.722 10 0 BCAERO O=C([C@H]1CCCO1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000249823513 526543334 /nfs/dbraw/zinc/54/33/34/526543334.db2.gz IFVSAUCUZAOEEB-WDEREUQCSA-N 1 0 224.304 0.472 10 0 BCAERO C[NH2+]Cc1c(C)nc(N2CCOCC2)nc1C ZINC000054854076 536468902 /nfs/dbraw/zinc/46/89/02/536468902.db2.gz VKWJELFVNBXMJS-UHFFFAOYSA-N 1 0 236.319 0.649 10 0 BCAERO C[NH2+]Cc1cc(C)nc(N2CCOCC2)n1 ZINC000054831013 536468971 /nfs/dbraw/zinc/46/89/71/536468971.db2.gz JOBFHJIFDRNFCB-UHFFFAOYSA-N 1 0 222.292 0.341 10 0 BCAERO CC(C)(C)[C@H](O)C[NH2+]CCCN1CCOC1=O ZINC000496590897 526715589 /nfs/dbraw/zinc/71/55/89/526715589.db2.gz YESGORAXLVJYKH-SNVBAGLBSA-N 1 0 244.335 0.825 10 0 BCAERO COC(=O)CN1c2ccccc2C[C@H]([NH3+])C1=O ZINC000098088406 536473012 /nfs/dbraw/zinc/47/30/12/536473012.db2.gz YSBKTIROWZTXDI-VIFPVBQESA-N 1 0 234.255 0.076 10 0 BCAERO CCC[C@H](C(=O)NCCC(=O)N(C)C)[NH+](C)C ZINC000178649655 527978196 /nfs/dbraw/zinc/97/81/96/527978196.db2.gz VKBIWTPTZFMUMZ-SNVBAGLBSA-N 1 0 243.351 0.311 10 0 BCAERO CC(C)CNC(=O)C[N@@H+]1C[C@H](C)C[C@H](O)C1 ZINC000401738368 528033504 /nfs/dbraw/zinc/03/35/04/528033504.db2.gz HYQVZPFKNMWCJZ-MNOVXSKESA-N 1 0 228.336 0.461 10 0 BCAERO CCN(CC)C(=O)[C@H](C)[N@@H+]1C[C@H](C)C[C@@H](O)C1 ZINC000401636838 528058276 /nfs/dbraw/zinc/05/82/76/528058276.db2.gz CIELGCOPVZQYMU-GRYCIOLGSA-N 1 0 242.363 0.946 10 0 BCAERO CCNC(=O)CC[N@@H+]1C[C@H](C)C[C@@H](O)C1 ZINC000401898747 528073745 /nfs/dbraw/zinc/07/37/45/528073745.db2.gz LZRSHLQSXFPCBO-NXEZZACHSA-N 1 0 214.309 0.215 10 0 BCAERO CC(C)[N@H+](C[C@@H](C)O)C[C@@H]1CNC(=O)O1 ZINC000496381162 528919392 /nfs/dbraw/zinc/91/93/92/528919392.db2.gz GQKPBEMREVDCJD-BDAKNGLRSA-N 1 0 216.281 0.186 10 0 BCAERO CC[C@](C)(O)C[N@@H+]1C[C@H](C)C[C@H](O)C1 ZINC000307692180 529374164 /nfs/dbraw/zinc/37/41/64/529374164.db2.gz RHJGWTFZMGZSIQ-VWYCJHECSA-N 1 0 201.310 0.850 10 0 BCAERO CCCC[C@@H](NC(N)=O)C(=O)NCC[C@@H](C)[NH3+] ZINC000262543423 534927821 /nfs/dbraw/zinc/92/78/21/534927821.db2.gz XUNKCCVLAJOFEV-RKDXNWHRSA-N 1 0 244.339 0.067 10 0 BCAERO CC(C)N(C)C(=O)CN1C[C@H](C)[C@H]([NH3+])C1 ZINC000261537313 534967796 /nfs/dbraw/zinc/96/77/96/534967796.db2.gz VGNVACHGHZFDQF-VHSXEESVSA-N 1 0 213.325 0.132 10 0 BCAERO CC(C)N(C)C(=O)CN1C[C@@H](C)[C@H]([NH3+])C1 ZINC000261537312 534968736 /nfs/dbraw/zinc/96/87/36/534968736.db2.gz VGNVACHGHZFDQF-NXEZZACHSA-N 1 0 213.325 0.132 10 0 BCAERO CC(C)[C@H]([NH3+])C(=O)NC[C@H]1CCC[C@H]1O ZINC000084238271 535055936 /nfs/dbraw/zinc/05/59/36/535055936.db2.gz NJVBOGCVFSTAEV-BBBLOLIVSA-N 1 0 214.309 0.247 10 0 BCAERO CC(C)[C@H]([NH3+])CCN(C)c1nccn(C)c1=O ZINC000133602675 535067411 /nfs/dbraw/zinc/06/74/11/535067411.db2.gz PXDAUSTUZUFPPZ-SNVBAGLBSA-N 1 0 238.335 0.590 10 0 BCAERO CCCCN(C)C(=O)[C@@H]([NH3+])C1CCOCC1 ZINC000261788732 535207152 /nfs/dbraw/zinc/20/71/52/535207152.db2.gz NLOXCTBUJSFIEC-NSHDSACASA-N 1 0 228.336 0.999 10 0 BCAERO CCCCOC[C@H](O)C[N@H+](C)[C@H](C)CO ZINC000248661768 535316584 /nfs/dbraw/zinc/31/65/84/535316584.db2.gz XNHAYDDNQRIBAA-GHMZBOCLSA-N 1 0 219.325 0.477 10 0 BCAERO CCOC1CCN(c2nccnc2C[NH3+])CC1 ZINC000054377493 535400568 /nfs/dbraw/zinc/40/05/68/535400568.db2.gz POHYWGCRIVFPIF-UHFFFAOYSA-N 1 0 236.319 0.941 10 0 BCAERO CCO[C@@H]1C[C@@H]1C(=O)NC(C)(C)C[NH3+] ZINC000261537131 535428636 /nfs/dbraw/zinc/42/86/36/535428636.db2.gz UYMZUQIBZFVPLS-JGVFFNPUSA-N 1 0 200.282 0.265 10 0 BCAERO CCO[C@@H]1C[C@@H]1C(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000262718484 535432956 /nfs/dbraw/zinc/43/29/56/535432956.db2.gz FDDNHRUKMBYOAO-XWLWVQCSSA-N 1 0 226.320 0.526 10 0 BCAERO CCO[C@@H]1C[C@@H]1C(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000262887655 535433783 /nfs/dbraw/zinc/43/37/83/535433783.db2.gz OFAXWGPHYZGLGS-XWLWVQCSSA-N 1 0 226.320 0.668 10 0 BCAERO CCO[C@@H]1C[C@@H]1C(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000262887654 535434428 /nfs/dbraw/zinc/43/44/28/535434428.db2.gz OFAXWGPHYZGLGS-VPOLOUISSA-N 1 0 226.320 0.668 10 0 BCAERO CCN(CC)C(=O)[C@@H]([NH3+])C1CCOCC1 ZINC000261575460 535463543 /nfs/dbraw/zinc/46/35/43/535463543.db2.gz JTNXYELTNGUKPG-JTQLQIEISA-N 1 0 214.309 0.609 10 0 BCAERO CCNS(=O)(=O)N(C)C[C@H]1CCC[N@@H+]1CC ZINC000175393975 535484534 /nfs/dbraw/zinc/48/45/34/535484534.db2.gz PVXKKBTZBPPANK-SNVBAGLBSA-N 1 0 249.380 0.257 10 0 BCAERO CCO[C@@H]1C[C@H]1C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000262082159 535528159 /nfs/dbraw/zinc/52/81/59/535528159.db2.gz TWQHXFJGDGRTON-CKYFFXLPSA-N 1 0 226.320 0.609 10 0 BCAERO CCOC[C@H](O)CN1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000252674988 535698481 /nfs/dbraw/zinc/69/84/81/535698481.db2.gz WNFRUTIRFGRCKB-JHJVBQTASA-N 1 0 242.363 0.552 10 0 BCAERO CCN(C)C(=O)C[N@H+](C)CC1CC(O)C1 ZINC000084453800 535713524 /nfs/dbraw/zinc/71/35/24/535713524.db2.gz QGGGBPUSQHYMSA-UHFFFAOYSA-N 1 0 214.309 0.167 10 0 BCAERO CC[C@@H](NC(=O)[C@H]([NH3+])COC)C1CCOCC1 ZINC000262244013 535798820 /nfs/dbraw/zinc/79/88/20/535798820.db2.gz HZSBJBYJZGPOBZ-GHMZBOCLSA-N 1 0 244.335 0.282 10 0 BCAERO CC[C@@H](O)CN1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000173758188 535813596 /nfs/dbraw/zinc/81/35/96/535813596.db2.gz CROXCFRPUAOSNJ-QJPTWQEYSA-N 1 0 212.337 0.926 10 0 BCAERO CC[C@@H]1COCCN1C(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000085010790 535830855 /nfs/dbraw/zinc/83/08/55/535830855.db2.gz OORPDMJHLFXBIN-OUAUKWLOSA-N 1 0 226.320 0.751 10 0 BCAERO CC[C@@H]1COCC[N@@H+]1C[C@H](C)C(=O)OC ZINC000252372134 535833578 /nfs/dbraw/zinc/83/35/78/535833578.db2.gz HBEMICHDOAJKDT-VHSXEESVSA-N 1 0 215.293 0.906 10 0 BCAERO CC[C@@H]1C[C@H](C)CN1C(=O)[C@@H]([NH3+])COC ZINC000261589372 535891579 /nfs/dbraw/zinc/89/15/79/535891579.db2.gz TWLMUAYDIQWIGM-AEJSXWLSSA-N 1 0 214.309 0.607 10 0 BCAERO CN(C(=O)CCOCC1CC1)C1C[NH2+]C1 ZINC000261554028 535973377 /nfs/dbraw/zinc/97/33/77/535973377.db2.gz TWFSTUUJJLQZCO-UHFFFAOYSA-N 1 0 212.293 0.233 10 0 BCAERO CCn1c(C)nnc1CN[C@](C)(C[NH3+])C1CC1 ZINC000262011273 535975202 /nfs/dbraw/zinc/97/52/02/535975202.db2.gz UIFXBTRMEYGFSM-GFCCVEGCSA-N 1 0 237.351 0.823 10 0 BCAERO Nc1[nH+]ccn1CCn1ccccc1=O ZINC000702449286 582926754 /nfs/dbraw/zinc/92/67/54/582926754.db2.gz IJMHUMJEEWXNTJ-UHFFFAOYSA-N 1 0 204.233 0.327 10 0 BCAERO CN(c1nc(C2CC2)ns1)C1C[NH2+]C1 ZINC000085258477 536302508 /nfs/dbraw/zinc/30/25/08/536302508.db2.gz KJZRUFHUTYSVGY-UHFFFAOYSA-N 1 0 210.306 0.824 10 0 BCAERO C[NH2+][C@@H](C)CNC(=O)c1ccc(C)[nH]c1=O ZINC000261599652 536342407 /nfs/dbraw/zinc/34/24/07/536342407.db2.gz ZVJKXBMPAJJRIN-QMMMGPOBSA-N 1 0 223.276 0.433 10 0 BCAERO C[NH2+][C@@H](C)CNC(=O)c1cccc(NC(C)=O)c1 ZINC000261830304 536343254 /nfs/dbraw/zinc/34/32/54/536343254.db2.gz VJUVICKICFGTTO-VIFPVBQESA-N 1 0 249.314 0.983 10 0 BCAERO C[NH2+][C@@H](C)CNc1nnnn1-c1ccccc1 ZINC000261561396 536345511 /nfs/dbraw/zinc/34/55/11/536345511.db2.gz VIPNVGRLXDYADV-VIFPVBQESA-N 1 0 232.291 0.682 10 0 BCAERO C[N@@H+]1CCCC[C@@H]1CCSC[C@H](O)CO ZINC000086660939 536354393 /nfs/dbraw/zinc/35/43/93/536354393.db2.gz YEFPCKLBAGMHMX-GHMZBOCLSA-N 1 0 233.377 0.947 10 0 BCAERO COC(=O)C[C@H]1CSCC[N@@H+]1[C@@H]1CCOC1 ZINC000259819562 536357429 /nfs/dbraw/zinc/35/74/29/536357429.db2.gz WHVIRNIXUYMJAP-ZJUUUORDSA-N 1 0 245.344 0.756 10 0 BCAERO CN(CC[NH3+])[C@H]1CCCN(c2cccnn2)C1 ZINC000263079459 536368657 /nfs/dbraw/zinc/36/86/57/536368657.db2.gz XKMKNJBEXKESLC-NSHDSACASA-N 1 0 235.335 0.336 10 0 BCAERO C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[C@H]2C2CC2)C1 ZINC000261533480 536372966 /nfs/dbraw/zinc/37/29/66/536372966.db2.gz BCQSRESUKABXGG-OUAUKWLOSA-N 1 0 208.305 0.853 10 0 BCAERO C[NH2+][C@H](C)CNC(=O)c1ccc2nncn2c1 ZINC000261811430 536400564 /nfs/dbraw/zinc/40/05/64/536400564.db2.gz SRFPGNVXQRLXQU-MRVPVSSYSA-N 1 0 233.275 0.067 10 0 BCAERO C[NH2+][C@H](C)CNC(=O)c1ccc(F)cn1 ZINC000261534842 536400897 /nfs/dbraw/zinc/40/08/97/536400897.db2.gz NEJJUJLZSLWMAE-SSDOTTSWSA-N 1 0 211.240 0.558 10 0 BCAERO C[NH2+][C@H](C)CNC(=O)c1cccc(NC(C)=O)c1 ZINC000261830302 536401099 /nfs/dbraw/zinc/40/10/99/536401099.db2.gz VJUVICKICFGTTO-SECBINFHSA-N 1 0 249.314 0.983 10 0 BCAERO C[NH2+][C@H]1CCCN(c2nc(C)ccc2C(N)=O)C1 ZINC000053204668 536415558 /nfs/dbraw/zinc/41/55/58/536415558.db2.gz DHBOXKAVUYBLOE-JTQLQIEISA-N 1 0 248.330 0.677 10 0 BCAERO COC(=O)CN1CC[C@H](C)C[C@H]1C[NH3+] ZINC000261527976 536472352 /nfs/dbraw/zinc/47/23/52/536472352.db2.gz IINJNPHAHRKDNR-IUCAKERBSA-N 1 0 200.282 0.219 10 0 BCAERO COCCCN(C)C(=O)[C@H]1C[NH2+]C[C@H]1C ZINC000082560128 536494373 /nfs/dbraw/zinc/49/43/73/536494373.db2.gz JFIURTCVWRJSTP-ZJUUUORDSA-N 1 0 214.309 0.337 10 0 BCAERO COCCO[C@@H]1CCC[N@H+](CC(C)(C)O)C1 ZINC000179296102 536556990 /nfs/dbraw/zinc/55/69/90/536556990.db2.gz YTZCSHHHHUADTH-LLVKDONJSA-N 1 0 231.336 0.885 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N1CCCc2ccccc2C1 ZINC000159914091 536656917 /nfs/dbraw/zinc/65/69/17/536656917.db2.gz VHNHCOZYIKWHKN-CYBMUJFWSA-N 1 0 248.326 0.935 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N1CCC[C@H]1C(C)(C)C ZINC000262192349 536657795 /nfs/dbraw/zinc/65/77/95/536657795.db2.gz MCQJAHMRPATZTD-ZJUUUORDSA-N 1 0 228.336 0.997 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N1CCOC[C@H]1CC(C)C ZINC000262309928 536658822 /nfs/dbraw/zinc/65/88/22/536658822.db2.gz OWMKZMHKJOMKLO-GHMZBOCLSA-N 1 0 244.335 0.234 10 0 BCAERO COC[C@@H]([NH3+])C(=O)Nc1ccncc1C ZINC000088004357 536674381 /nfs/dbraw/zinc/67/43/81/536674381.db2.gz XVBXRCDYOVQHHL-MRVPVSSYSA-N 1 0 209.249 0.302 10 0 BCAERO COC[C@@H]([NH3+])C(=O)Nc1nc(C)c(C)s1 ZINC000088003783 536673325 /nfs/dbraw/zinc/67/33/25/536673325.db2.gz OFHUZHKRVRSCNZ-SSDOTTSWSA-N 1 0 229.305 0.672 10 0 BCAERO COC(=O)c1ccc(CN2C[C@@H](C)[C@@H]([NH3+])C2)[nH]1 ZINC000262149933 536677069 /nfs/dbraw/zinc/67/70/69/536677069.db2.gz ZUXHIPACNLZUFV-SCZZXKLOSA-N 1 0 237.303 0.580 10 0 BCAERO CO[C@H]1CCCC[C@H]1NC(=O)[C@@H](C)[NH3+] ZINC000153753332 536691209 /nfs/dbraw/zinc/69/12/09/536691209.db2.gz ZNOAOJGTEHTCJJ-HLTSFMKQSA-N 1 0 200.282 0.407 10 0 BCAERO COc1cc(C)nc(N2CCC[C@@H](C[NH3+])C2)n1 ZINC000169201371 536698887 /nfs/dbraw/zinc/69/88/87/536698887.db2.gz UOTCXRMHCVRDKI-JTQLQIEISA-N 1 0 236.319 0.969 10 0 BCAERO COc1cc(C)nc(N2CC[C@@H]3[NH2+]CC[C@@H]3C2)n1 ZINC000261575192 536700565 /nfs/dbraw/zinc/70/05/65/536700565.db2.gz NDBHCNYVTKHTBL-MNOVXSKESA-N 1 0 248.330 0.982 10 0 BCAERO COc1cc(C)nc(N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)n1 ZINC000261580412 536701251 /nfs/dbraw/zinc/70/12/51/536701251.db2.gz QBBJRYQVKAFRDK-AXFHLTTASA-N 1 0 248.330 0.967 10 0 BCAERO COc1cc(C)nc(NCCCC[NH3+])n1 ZINC000166455200 536703692 /nfs/dbraw/zinc/70/36/92/536703692.db2.gz KUEYJSQYUZOXFH-UHFFFAOYSA-N 1 0 210.281 0.944 10 0 BCAERO CO[C@H]1CCC[C@@H]1CNC(=O)C1C[NH2+]C1 ZINC000261539249 536718113 /nfs/dbraw/zinc/71/81/13/536718113.db2.gz BXPFGDCMHOXVOC-SCZZXKLOSA-N 1 0 212.293 0.137 10 0 BCAERO COCCN(C)C(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000085011463 536770488 /nfs/dbraw/zinc/77/04/88/536770488.db2.gz FSFXJEASYSGMEZ-DTWKUNHWSA-N 1 0 200.282 0.219 10 0 BCAERO CO[C@H]1C[C@@H](NC(=O)[C@@H]2C[NH2+]C[C@H]2C)C1(C)C ZINC000261717892 536800823 /nfs/dbraw/zinc/80/08/23/536800823.db2.gz NEAQKVRFTBGHIW-DBIOUOCHSA-N 1 0 240.347 0.772 10 0 BCAERO COc1cc(N2C[C@H](C)[C@H]([NH3+])C2)ncn1 ZINC000261531380 536832400 /nfs/dbraw/zinc/83/24/00/536832400.db2.gz GHCMSRRUOFHILM-JGVFFNPUSA-N 1 0 208.265 0.269 10 0 BCAERO COCCn1cc(CN2C[C@H]([NH3+])[C@@H](C)C2)cn1 ZINC000262020612 536845223 /nfs/dbraw/zinc/84/52/23/536845223.db2.gz NCGJIXNXRMRHIY-JQWIXIFHSA-N 1 0 238.335 0.309 10 0 BCAERO CC[NH2+][C@H](Cn1cc(Cl)c(C)n1)C(N)=O ZINC000070704297 537881591 /nfs/dbraw/zinc/88/15/91/537881591.db2.gz QEDNXRFVEWRHJF-MRVPVSSYSA-N 1 0 230.699 0.308 10 0 BCAERO C[NH2+][C@H](CCn1cc(Cl)c(C)n1)C(N)=O ZINC000070704287 537881769 /nfs/dbraw/zinc/88/17/69/537881769.db2.gz HSFWMBKLNJJZNJ-MRVPVSSYSA-N 1 0 230.699 0.308 10 0 BCAERO CCN(c1ccccc1C[NH3+])S(C)(=O)=O ZINC000115764189 537904885 /nfs/dbraw/zinc/90/48/85/537904885.db2.gz LMNDMVXXHCTJBK-UHFFFAOYSA-N 1 0 228.317 0.931 10 0 BCAERO CC(C)[C@]1(CO)C[C@@H]1C[NH+]1CCOCC1 ZINC000685961940 537944889 /nfs/dbraw/zinc/94/48/89/537944889.db2.gz YPIOPHNRUCHRKN-VXGBXAGGSA-N 1 0 213.321 0.973 10 0 BCAERO CC(C)[NH2+]Cc1nnn(C)c1-c1ccnn1C ZINC000725256904 538060393 /nfs/dbraw/zinc/06/03/93/538060393.db2.gz CXIBZCHUYOQVGK-UHFFFAOYSA-N 1 0 234.307 0.714 10 0 BCAERO Cn1nccc1-c1c(C[NH3+])nnn1C1CCC1 ZINC000725256877 538059690 /nfs/dbraw/zinc/05/96/90/538059690.db2.gz CJBBFWXFUUPNMN-UHFFFAOYSA-N 1 0 232.291 0.862 10 0 BCAERO Cn1nccc1-c1c(C[NH3+])nnn1CCC1CC1 ZINC000725257561 538065354 /nfs/dbraw/zinc/06/53/54/538065354.db2.gz QYRMYZQSKRJVBJ-UHFFFAOYSA-N 1 0 246.318 0.937 10 0 BCAERO CC[C@H]([NH3+])c1nc(-c2ccnn2C)cc(=O)[nH]1 ZINC000725257515 538065464 /nfs/dbraw/zinc/06/54/64/538065464.db2.gz RUPVLBPSBIVZLZ-ZETCQYMHSA-N 1 0 233.275 0.993 10 0 BCAERO [NH3+][C@@H]1COc2cccnc2[C@@H]1N1CCCC1 ZINC000083012384 562089221 /nfs/dbraw/zinc/08/92/21/562089221.db2.gz XIWDPKCLYIALJV-BXKDBHETSA-N 1 0 219.288 0.938 10 0 BCAERO [NH3+]C[C@H]1CCNc2nc(C(F)F)nn21 ZINC000307340447 566278330 /nfs/dbraw/zinc/27/83/30/566278330.db2.gz SYCFSTIYQQBUNZ-SCSAIBSYSA-N 1 0 203.196 0.531 10 0 BCAERO Nc1nc([C@H]2CN3CCC[C@H]3CO2)no1 ZINC000085792102 566339271 /nfs/dbraw/zinc/33/92/71/566339271.db2.gz GSMIFWBONGTEEP-NKWVEPMBSA-N 1 0 210.237 0.188 10 0 BCAERO O=C(C1CCCC1)N1CCC2(C[NH2+]C2)C1 ZINC000675054233 566416639 /nfs/dbraw/zinc/41/66/39/566416639.db2.gz QSINPVVTPMDKFM-UHFFFAOYSA-N 1 0 208.305 0.999 10 0 BCAERO CCN1CCO[C@H](C[NH2+][C@@H](C)CCCCO)C1 ZINC000398372507 583129021 /nfs/dbraw/zinc/12/90/21/583129021.db2.gz JEIJRLDGAXRKMP-QWHCGFSZSA-N 1 0 244.379 0.848 10 0 BCAERO C[C@@H]1COCCN1C(=O)COC1CC[NH2+]CC1 ZINC000111757518 588769434 /nfs/dbraw/zinc/76/94/34/588769434.db2.gz NAQJZJAUGGEJTQ-SNVBAGLBSA-N 1 0 242.319 0.002 10 0 BCAERO CN(C[C@H]1CC[N@H+](C)C1)C(=O)C(F)(F)F ZINC000112826924 588818188 /nfs/dbraw/zinc/81/81/88/588818188.db2.gz JVBQQCSCSAXHMF-ZETCQYMHSA-N 1 0 224.226 0.959 10 0 BCAERO CC(C)[C@@H]([NH2+]Cc1cccnc1)C(N)=O ZINC000107323161 582459616 /nfs/dbraw/zinc/45/96/16/582459616.db2.gz DKEPRHDTGFWDFC-SNVBAGLBSA-N 1 0 207.277 0.681 10 0 BCAERO COCC(=O)c1nc(CC[NH3+])cs1 ZINC000757123000 582498170 /nfs/dbraw/zinc/49/81/70/582498170.db2.gz HUWACJPYPKRBBU-UHFFFAOYSA-N 1 0 200.263 0.473 10 0 BCAERO CO[C@H](C)[C@@H](O)c1nc(C)c(C[NH3+])s1 ZINC000757123924 582498651 /nfs/dbraw/zinc/49/86/51/582498651.db2.gz BIVJRBWCPTVWJS-HTRCEHHLSA-N 1 0 216.306 0.979 10 0 BCAERO COCC(=O)c1nc(C)c(CC[NH3+])s1 ZINC000757124011 582499665 /nfs/dbraw/zinc/49/96/65/582499665.db2.gz NEVBTQBVTWCJRI-UHFFFAOYSA-N 1 0 214.290 0.782 10 0 BCAERO C[NH2+]Cc1csc([C@@H](O)[C@H](C)OC)n1 ZINC000757134593 582511017 /nfs/dbraw/zinc/51/10/17/582511017.db2.gz YRQAOGSSBNJEAB-XPUUQOCRSA-N 1 0 216.306 0.931 10 0 BCAERO C[NH2+]Cc1csc([C@H](O)[C@H](C)OC)n1 ZINC000757134570 582511066 /nfs/dbraw/zinc/51/10/66/582511066.db2.gz YRQAOGSSBNJEAB-POYBYMJQSA-N 1 0 216.306 0.931 10 0 BCAERO O=S1(=O)CC[C@@]2(C1)[NH2+]C[C@H](C1CC1)CO2 ZINC000757142222 582522403 /nfs/dbraw/zinc/52/24/03/582522403.db2.gz BJAFIZXBQMDEPC-VHSXEESVSA-N 1 0 231.317 0.147 10 0 BCAERO O=S1(=O)CC[C@]2(C1)[NH2+]C[C@H](C1CC1)CO2 ZINC000757142220 582522439 /nfs/dbraw/zinc/52/24/39/582522439.db2.gz BJAFIZXBQMDEPC-UWVGGRQHSA-N 1 0 231.317 0.147 10 0 BCAERO CC[NH+]1CCC2(CC1)N[C@@H](COC)CCO2 ZINC000757144753 582525375 /nfs/dbraw/zinc/52/53/75/582525375.db2.gz GPUYKBPCKJKDQL-LLVKDONJSA-N 1 0 228.336 0.823 10 0 BCAERO COc1ncnc(N2CC[C@H]2C[NH3+])c1C ZINC000757145905 582528368 /nfs/dbraw/zinc/52/83/68/582528368.db2.gz MLHWPYRWEVIOHG-QMMMGPOBSA-N 1 0 208.265 0.331 10 0 BCAERO COC[C@H]1CCO[C@@]2(CCC[N@H+](C)CC2)N1 ZINC000757146253 582529839 /nfs/dbraw/zinc/52/98/39/582529839.db2.gz JVLRKECTNZYZBX-VXGBXAGGSA-N 1 0 228.336 0.823 10 0 BCAERO CCCN(C)S(=O)(=O)C[C@@H]([NH3+])CC ZINC000757147620 582531313 /nfs/dbraw/zinc/53/13/13/582531313.db2.gz CUOMBFLKCIPQPS-QMMMGPOBSA-N 1 0 208.327 0.395 10 0 BCAERO NC(=O)[C@H]1CCN1[C@@H](C[NH3+])c1cccs1 ZINC000757148032 582532336 /nfs/dbraw/zinc/53/23/36/582532336.db2.gz VURGMGVJAACHBI-SFYZADRCSA-N 1 0 225.317 0.308 10 0 BCAERO CCC[C@@H]([NH3+])CS(=O)(=O)N(CC)CC ZINC000757150259 582534161 /nfs/dbraw/zinc/53/41/61/582534161.db2.gz FEBFZBLFEQHFGX-SECBINFHSA-N 1 0 222.354 0.785 10 0 BCAERO COC[C@H]1CCO[C@]2(CCCOCC2)[NH2+]1 ZINC000757150579 582534722 /nfs/dbraw/zinc/53/47/22/582534722.db2.gz ROHJQLICLXRCKP-MNOVXSKESA-N 1 0 215.293 0.908 10 0 BCAERO C[C@H]([NH3+])CS(=O)(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000757153413 582537323 /nfs/dbraw/zinc/53/73/23/582537323.db2.gz PDPZUFQRWHKJKX-BBBLOLIVSA-N 1 0 234.365 0.641 10 0 BCAERO CCC[C@@H]([NH3+])CS(=O)(=O)N(C)CCC ZINC000757153986 582538984 /nfs/dbraw/zinc/53/89/84/582538984.db2.gz TVSFYDZHVULAIP-SECBINFHSA-N 1 0 222.354 0.785 10 0 BCAERO CCC[C@H]([NH3+])CS(=O)(=O)N(C)CCC ZINC000757153987 582539219 /nfs/dbraw/zinc/53/92/19/582539219.db2.gz TVSFYDZHVULAIP-VIFPVBQESA-N 1 0 222.354 0.785 10 0 BCAERO CC[C@H](CC(N)=S)[N@@H+]1CC[C@H]1C(N)=O ZINC000757160350 582544278 /nfs/dbraw/zinc/54/42/78/582544278.db2.gz RORMSWGFNZMZTQ-RQJHMYQMSA-N 1 0 215.322 0.001 10 0 BCAERO COC(=O)[C@H]1C[NH2+]CC12CCSCC2 ZINC000757186451 582555152 /nfs/dbraw/zinc/55/51/52/582555152.db2.gz XZKSXYHAIFRJMG-MRVPVSSYSA-N 1 0 215.318 0.892 10 0 BCAERO CC(C)(C)OC(=O)N1CC[C@H](O)C[C@H]1C[NH3+] ZINC000141407526 582555823 /nfs/dbraw/zinc/55/58/23/582555823.db2.gz UWRWAOPMGWXBKY-IUCAKERBSA-N 1 0 230.308 0.706 10 0 BCAERO [NH3+]CC[C@H]1CCC[C@]12CCS(=O)(=O)C2 ZINC000757194256 582558398 /nfs/dbraw/zinc/55/83/98/582558398.db2.gz BNJOUXFOZFLVQH-NXEZZACHSA-N 1 0 217.334 0.940 10 0 BCAERO [NH3+][C@@H]1C[NH2+]C[C@@H](c2cccc(C(=O)[O-])c2)C1 ZINC000757216024 582560875 /nfs/dbraw/zinc/56/08/75/582560875.db2.gz OJKWGJJZAKZBNH-QWRGUYRKSA-N 1 0 220.272 0.789 10 0 BCAERO O=C([O-])[C@@H]1C[C@H]([C@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC000757216910 582561465 /nfs/dbraw/zinc/56/14/65/582561465.db2.gz QRVPIVHVBIBYRA-UTLUCORTSA-N 1 0 212.293 0.439 10 0 BCAERO C[C@H]1COCC[C@@]12[NH2+]CCc1nc[nH]c12 ZINC000400502114 582579707 /nfs/dbraw/zinc/57/97/07/582579707.db2.gz HHEOHLATFQZSBE-GZMMTYOYSA-N 1 0 207.277 0.807 10 0 BCAERO C[C@@H]1CN2C(=[NH+]CC[C@@H]2c2cnn(C)c2)N1 ZINC000235434716 582580028 /nfs/dbraw/zinc/58/00/28/582580028.db2.gz SRNMQSRSECVYMJ-PSASIEDQSA-N 1 0 219.292 0.515 10 0 BCAERO COCCCC(=O)N1CC[C@@H]([NH3+])[C@H]1C ZINC000308530666 582594773 /nfs/dbraw/zinc/59/47/73/582594773.db2.gz KRIUDERXNCKSKN-RKDXNWHRSA-N 1 0 200.282 0.361 10 0 BCAERO O=C1CC[C@H](C[NH2+]Cc2cccc(O)c2)N1 ZINC000070628057 582599241 /nfs/dbraw/zinc/59/92/41/582599241.db2.gz IOTYPFZBEIASFS-SNVBAGLBSA-N 1 0 220.272 0.760 10 0 BCAERO Nc1[nH+]ccn1C[C@H]1CCCCNC1=O ZINC000721037361 582634212 /nfs/dbraw/zinc/63/42/12/582634212.db2.gz VWEAGPZEAVYQMJ-MRVPVSSYSA-N 1 0 208.265 0.382 10 0 BCAERO [NH3+]Cc1ccnc2c(CCCO)cnn21 ZINC000236169971 582640035 /nfs/dbraw/zinc/64/00/35/582640035.db2.gz XETQEMLWSUHPDL-UHFFFAOYSA-N 1 0 206.249 0.113 10 0 BCAERO [NH3+]Cc1ccnc2nc([C@@H]3CCOC3)nn21 ZINC000236212624 582641691 /nfs/dbraw/zinc/64/16/91/582641691.db2.gz BIGSDOQACNPQOL-SSDOTTSWSA-N 1 0 219.248 0.087 10 0 BCAERO [NH3+]C[C@@H]1CCNc2nc([C@@H]3CCCO3)nn21 ZINC000236227108 582642267 /nfs/dbraw/zinc/64/22/67/582642267.db2.gz DFUCFZGQQZBUIO-YUMQZZPRSA-N 1 0 223.280 0.445 10 0 BCAERO [NH3+]C[C@H]1CCNc2nc([C@@H]3CCCO3)nn21 ZINC000236250915 582643290 /nfs/dbraw/zinc/64/32/90/582643290.db2.gz DFUCFZGQQZBUIO-SFYZADRCSA-N 1 0 223.280 0.445 10 0 BCAERO Nc1[nH+]ccn1C1CCS(=O)(=O)CC1 ZINC000236346895 582652575 /nfs/dbraw/zinc/65/25/75/582652575.db2.gz MNSMAAGRUZOZRG-UHFFFAOYSA-N 1 0 215.278 0.215 10 0 BCAERO Nc1cnn2c1NCC[C@H]2[C@@H]1CCC[NH2+]C1 ZINC000236376646 582654118 /nfs/dbraw/zinc/65/41/18/582654118.db2.gz FCTZTTDIEWRIGR-SCZZXKLOSA-N 1 0 221.308 0.822 10 0 BCAERO Nc1ccn(CC[NH+]2CCSCC2)n1 ZINC000070945721 582675886 /nfs/dbraw/zinc/67/58/86/582675886.db2.gz YROXOQHHVJMMET-UHFFFAOYSA-N 1 0 212.322 0.514 10 0 BCAERO COC(=O)c1cc(N)cn1CC[NH+](C)C ZINC000041040316 582755155 /nfs/dbraw/zinc/75/51/55/582755155.db2.gz VKTJUGJBRZUSFB-UHFFFAOYSA-N 1 0 211.265 0.419 10 0 BCAERO O=C1NCC[C@H]1[NH2+]Cc1cccc(F)c1 ZINC000393604307 582817544 /nfs/dbraw/zinc/81/75/44/582817544.db2.gz IIZUXZSFMHCTQL-SNVBAGLBSA-N 1 0 208.236 0.804 10 0 BCAERO C[NH2+][C@H](C)C(=O)N1CCO[C@@H](C)[C@H]1C ZINC000307101469 582841205 /nfs/dbraw/zinc/84/12/05/582841205.db2.gz HVCJWYPQNXFNQK-HLTSFMKQSA-N 1 0 200.282 0.230 10 0 BCAERO CC[C@@H](C)NC(=O)[C@H](C)n1cc[nH+]c1N ZINC000702466963 582926352 /nfs/dbraw/zinc/92/63/52/582926352.db2.gz QFTCTZYMGSDZPY-SFYZADRCSA-N 1 0 210.281 0.941 10 0 BCAERO Cc1cc(C)n(CCn2cc[nH+]c2N)n1 ZINC000702653613 582926587 /nfs/dbraw/zinc/92/65/87/582926587.db2.gz BXSAYAIUXPOBNK-UHFFFAOYSA-N 1 0 205.265 0.979 10 0 BCAERO Nc1[nH+]ccn1CC(=O)N1CCCCC1 ZINC000702459868 582926610 /nfs/dbraw/zinc/92/66/10/582926610.db2.gz KQMZRTFDOIXLAF-UHFFFAOYSA-N 1 0 208.265 0.478 10 0 BCAERO Nc1[nH+]ccn1CCOC[C@@H]1CCCO1 ZINC000702655100 582926721 /nfs/dbraw/zinc/92/67/21/582926721.db2.gz SITMISGUJMPRKZ-VIFPVBQESA-N 1 0 211.265 0.661 10 0 BCAERO Nc1[nH+]ccn1CCO[C@H]1CC1(F)F ZINC000702617567 582926737 /nfs/dbraw/zinc/92/67/37/582926737.db2.gz DCWNNSGRSXYBMB-LURJTMIESA-N 1 0 203.192 0.890 10 0 BCAERO Nc1[nH+]ccn1CCOC[C@H]1CCCO1 ZINC000702655098 582926748 /nfs/dbraw/zinc/92/67/48/582926748.db2.gz SITMISGUJMPRKZ-SECBINFHSA-N 1 0 211.265 0.661 10 0 BCAERO C[C@@H](Cn1cc[nH+]c1N)CS(C)(=O)=O ZINC000707308298 582961856 /nfs/dbraw/zinc/96/18/56/582961856.db2.gz LKULABCURYSFNN-ZETCQYMHSA-N 1 0 217.294 0.146 10 0 BCAERO CS(=O)(=O)CCCCn1cc[nH+]c1N ZINC000707346503 582964914 /nfs/dbraw/zinc/96/49/14/582964914.db2.gz BPKIFDFRNWGXPB-UHFFFAOYSA-N 1 0 217.294 0.290 10 0 BCAERO CC[C@H]1CN([C@@H]2C[NH2+]C[C@H]2O)C[C@H](CC)O1 ZINC000398632068 583158378 /nfs/dbraw/zinc/15/83/78/583158378.db2.gz MNKABAXFTXOQFC-NNYUYHANSA-N 1 0 228.336 0.209 10 0 BCAERO CCN1CCO[C@@H](C[NH2+]C[C@@H](O)C2CC2)C1 ZINC000219539223 583174849 /nfs/dbraw/zinc/17/48/49/583174849.db2.gz OCUNCPHAVWGQPG-NWDGAFQWSA-N 1 0 228.336 0.068 10 0 BCAERO CN1CC[C@]2(C1)[NH2+]CC[C@]1(CCOC1)O2 ZINC000757138733 586427809 /nfs/dbraw/zinc/42/78/09/586427809.db2.gz DKKMGJXVRXWLAX-MNOVXSKESA-N 1 0 212.293 0.187 10 0 BCAERO CN1CC[C@@]2(C1)[NH2+]CC(C)(C)[C@]1(CCOC1)O2 ZINC000757142284 586428270 /nfs/dbraw/zinc/42/82/70/586428270.db2.gz LAKVECDSTWPJHK-CHWSQXEVSA-N 1 0 240.347 0.823 10 0 BCAERO CCOc1nccnc1N1CC[C@H]1C[NH3+] ZINC000757146032 586428363 /nfs/dbraw/zinc/42/83/63/586428363.db2.gz MYAUZFOOECJWLG-QMMMGPOBSA-N 1 0 208.265 0.413 10 0 BCAERO CCc1cc(N2CC[C@H]2C[NH3+])nc(C)n1 ZINC000757144204 586428402 /nfs/dbraw/zinc/42/84/02/586428402.db2.gz IVZDAJPWQKJAHD-JTQLQIEISA-N 1 0 206.293 0.885 10 0 BCAERO CCCN(CCC)S(=O)(=O)C[C@H](C)[NH3+] ZINC000757152398 586429287 /nfs/dbraw/zinc/42/92/87/586429287.db2.gz LLLMBDKCGXWZES-VIFPVBQESA-N 1 0 222.354 0.785 10 0 BCAERO CCC[C@H]([NH3+])CS(=O)(=O)N1CCCC1 ZINC000757151710 586429362 /nfs/dbraw/zinc/42/93/62/586429362.db2.gz JHHWWDBDPGAOGI-VIFPVBQESA-N 1 0 220.338 0.539 10 0 BCAERO [NH3+]C[C@H]1CCN1CCCO[C@H]1CCOC1 ZINC000757152124 586429627 /nfs/dbraw/zinc/42/96/27/586429627.db2.gz YVHILPJBOWYKML-MNOVXSKESA-N 1 0 214.309 0.215 10 0 BCAERO CNc1cc(N2CC[C@H]2C(N)=O)cc[nH+]1 ZINC000757160743 586432115 /nfs/dbraw/zinc/43/21/15/586432115.db2.gz SHTAQZAAFMMPIL-QMMMGPOBSA-N 1 0 206.249 0.187 10 0 BCAERO CC(C)(C)OC(=O)N[C@@H]1C[C@@H](O)C12C[NH2+]C2 ZINC000757168355 586432412 /nfs/dbraw/zinc/43/24/12/586432412.db2.gz CZMQIEKUJUCUFG-HTQZYQBOSA-N 1 0 228.292 0.234 10 0 BCAERO CN1CC[C@]2(C[NH2+]C[C@H]2C(=O)OC(C)(C)C)C1 ZINC000757184013 586434067 /nfs/dbraw/zinc/43/40/67/586434067.db2.gz GVTSZJWNMQXYAH-GWCFXTLKSA-N 1 0 240.347 0.869 10 0 BCAERO C[N@@H+]1CCC[C@@]2(C[NH2+]C[C@@H]2C(=O)[O-])CC1 ZINC000757187415 586434790 /nfs/dbraw/zinc/43/47/90/586434790.db2.gz ZQDYALFRWYFFMV-KOLCDFICSA-N 1 0 212.293 0.393 10 0 BCAERO Cc1nn(-c2ncccn2)cc1C(N)=[NH2+] ZINC000757196006 586436736 /nfs/dbraw/zinc/43/67/36/586436736.db2.gz MRQKLHVEKZWHLM-UHFFFAOYSA-N 1 0 202.221 0.255 10 0 BCAERO Cc1nn(-c2cccnn2)cc1C(N)=[NH2+] ZINC000757196024 586437027 /nfs/dbraw/zinc/43/70/27/586437027.db2.gz NGMUKSFSHDBBLC-UHFFFAOYSA-N 1 0 202.221 0.255 10 0 BCAERO COC(=O)[C@@H]1CC[NH2+][C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000757206717 586437318 /nfs/dbraw/zinc/43/73/18/586437318.db2.gz AJIBQGJYXOXPND-MXWKQRLJSA-N 1 0 226.320 0.527 10 0 BCAERO Cn1nncc1-c1ccc(N)c2c1CC[NH2+]C2 ZINC000757207922 586437880 /nfs/dbraw/zinc/43/78/80/586437880.db2.gz CTOLOACSWUBQTA-UHFFFAOYSA-N 1 0 229.287 0.710 10 0 BCAERO O=C([O-])[C@H]1[NH2+]CCC[C@H]1C1CC[NH2+]CC1 ZINC000757211604 586438750 /nfs/dbraw/zinc/43/87/50/586438750.db2.gz HUHDCHNVEYPLFV-UWVGGRQHSA-N 1 0 212.293 0.439 10 0 BCAERO O=C([O-])[C@@H]1[NH2+]CCC[C@@H]1C1CC[NH2+]CC1 ZINC000757211601 586439134 /nfs/dbraw/zinc/43/91/34/586439134.db2.gz HUHDCHNVEYPLFV-NXEZZACHSA-N 1 0 212.293 0.439 10 0 BCAERO CCOC(=O)[C@H]1CC[C@@H](c2cnnn2C)[NH2+]C1 ZINC000757215628 586440509 /nfs/dbraw/zinc/44/05/09/586440509.db2.gz WILXANSOSZRKNA-IUCAKERBSA-N 1 0 238.291 0.419 10 0 BCAERO [NH3+]Cc1ccc([C@@H]2C[NH2+]CC[C@@H]2C(=O)[O-])cc1 ZINC000757216483 586441060 /nfs/dbraw/zinc/44/10/60/586441060.db2.gz PSEPCDIKMYSYAT-RYUDHWBXSA-N 1 0 234.299 0.923 10 0 BCAERO C[C@@H]1C[C@@H](C(=O)[O-])C[C@H](C2CC[NH2+]CC2)[NH2+]1 ZINC000757216990 586441083 /nfs/dbraw/zinc/44/10/83/586441083.db2.gz RBOTUFKKDINJTK-FBIMIBRVSA-N 1 0 226.320 0.827 10 0 BCAERO O=C([O-])[C@@H]1CC[C@H]([C@H]2CCC[NH2+]C2)C[NH2+]1 ZINC000757216527 586441139 /nfs/dbraw/zinc/44/11/39/586441139.db2.gz QDTFMLABEKJOAR-GUBZILKMSA-N 1 0 212.293 0.439 10 0 BCAERO [NH3+]C[C@H]1OC(=O)C[C@@]12CCCSC2 ZINC000757225294 586442673 /nfs/dbraw/zinc/44/26/73/586442673.db2.gz SFIMQSTXVUXPLJ-VXNVDRBHSA-N 1 0 201.291 0.774 10 0 BCAERO C[C@@H]1C[C@H]([C@H]2CCC[C@H](C(=O)[O-])[NH2+]2)CC[NH2+]1 ZINC000757237607 586443591 /nfs/dbraw/zinc/44/35/91/586443591.db2.gz QKPJJJWLWGQREO-GWOFURMSSA-N 1 0 226.320 0.970 10 0 BCAERO CC[C@H](C)n1nnc2c1nc[nH+]c2NN ZINC000757564702 586461207 /nfs/dbraw/zinc/46/12/07/586461207.db2.gz FKKKXYNGZKBHAP-YFKPBYRVSA-N 1 0 207.241 0.478 10 0 BCAERO C[C@H]1C[C@H]1n1nnc2c1nc[nH+]c2NN ZINC000757568844 586462075 /nfs/dbraw/zinc/46/20/75/586462075.db2.gz RKMGHDKFUZDLCL-CRCLSJGQSA-N 1 0 205.225 0.088 10 0 BCAERO CC(C)CCn1nnc2c1nc[nH+]c2NN ZINC000757570516 586462592 /nfs/dbraw/zinc/46/25/92/586462592.db2.gz XCLUROQYGNHUBJ-UHFFFAOYSA-N 1 0 221.268 0.553 10 0 BCAERO COC(=O)C[C@@H]([NH3+])CNC(=O)OC(C)(C)C ZINC000201516126 589097234 /nfs/dbraw/zinc/09/72/34/589097234.db2.gz RFKXQNWLOYKCPI-SSDOTTSWSA-N 1 0 232.280 0.402 10 0 BCAERO CC[C@](C)(O)C[N@@H+]1CCCC2(C1)OCCO2 ZINC000119386934 589276161 /nfs/dbraw/zinc/27/61/61/589276161.db2.gz BTHJIGUCKMSSNG-NSHDSACASA-N 1 0 229.320 0.986 10 0 BCAERO CC(C)(C1CC[NH2+]CC1)S(N)(=O)=O ZINC000205661563 589461005 /nfs/dbraw/zinc/46/10/05/589461005.db2.gz UFHJCWCOICPYHV-UHFFFAOYSA-N 1 0 206.311 0.053 10 0 BCAERO COC[C@@H]([NH3+])C(=O)Nc1ccc(Cl)nc1 ZINC000122862046 589639923 /nfs/dbraw/zinc/63/99/23/589639923.db2.gz RLLYDPMHGXUQOL-SSDOTTSWSA-N 1 0 229.667 0.647 10 0 BCAERO C[C@H](NC(=O)C[C@H]([NH3+])C1CC1)[C@@H]1CCCO1 ZINC000123602103 589758154 /nfs/dbraw/zinc/75/81/54/589758154.db2.gz GUXVBKBNDIZJJR-LSJOCFKGSA-N 1 0 226.320 0.798 10 0 BCAERO C[C@@H]1COCCN1C(=O)C[C@@H]([NH3+])C1CC1 ZINC000123605758 589758288 /nfs/dbraw/zinc/75/82/88/589758288.db2.gz YKWLKGNPPKYXKH-PSASIEDQSA-N 1 0 212.293 0.361 10 0 BCAERO C[C@H]1CN(C(=O)n2ccnc2)C[C@H]1[NH+](C)C ZINC000123932941 589863203 /nfs/dbraw/zinc/86/32/03/589863203.db2.gz DGPGGNHPKCTBSH-VHSXEESVSA-N 1 0 222.292 0.733 10 0 BCAERO COC(=O)[C@@H]1CCC[N@H+](CCC2OCCO2)C1 ZINC000124103499 589941223 /nfs/dbraw/zinc/94/12/23/589941223.db2.gz LKGSNBBSUYCQOY-SNVBAGLBSA-N 1 0 243.303 0.634 10 0 BCAERO Clc1cncc(NC[C@H]2C[NH2+]CCO2)n1 ZINC000126520740 590330603 /nfs/dbraw/zinc/33/06/03/590330603.db2.gz DRJKMSACRLCYRX-SSDOTTSWSA-N 1 0 228.683 0.530 10 0 BCAERO C[C@H]([NH2+]CCC1OCCO1)[C@H]1CCCO1 ZINC000126877758 590479025 /nfs/dbraw/zinc/47/90/25/590479025.db2.gz XNBPBRUZWKLQFX-VHSXEESVSA-N 1 0 215.293 0.907 10 0 BCAERO CC[C@@H](C)[C@H]([NH3+])C(=O)Nc1ncnn1C ZINC000127307064 590617739 /nfs/dbraw/zinc/61/77/39/590617739.db2.gz JQTVPWGWQADCNP-RQJHMYQMSA-N 1 0 211.269 0.127 10 0 BCAERO C[C@]1(CNc2ccc(C(N)=O)nn2)CCC[NH2+]C1 ZINC000129328166 591278723 /nfs/dbraw/zinc/27/87/23/591278723.db2.gz SJHCIRDGDPMOQO-LBPRGKRZSA-N 1 0 249.318 0.377 10 0 BCAERO Cc1cc(C(=O)N[C@H]2CCC[NH2+][C@@H]2C)on1 ZINC000129442796 591300171 /nfs/dbraw/zinc/30/01/71/591300171.db2.gz RUFWKKFFJUELJN-BDAKNGLRSA-N 1 0 223.276 0.853 10 0 BCAERO C[NH2+][C@H]1CCN(c2nccn3nc(C)cc23)C1 ZINC000129916591 591417512 /nfs/dbraw/zinc/41/75/12/591417512.db2.gz VMKVULWKSYQRFD-JTQLQIEISA-N 1 0 231.303 0.836 10 0 BCAERO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)n1ccnc1 ZINC000130048823 591433641 /nfs/dbraw/zinc/43/36/41/591433641.db2.gz AZOVDOCUHUNVGX-JTQLQIEISA-N 1 0 222.292 0.877 10 0 BCAERO C[NH2+]CCc1nc([C@@H](OC)C2CC2)no1 ZINC000131254811 591578633 /nfs/dbraw/zinc/57/86/33/591578633.db2.gz ZRBWINSBOMLOSL-VIFPVBQESA-N 1 0 211.265 0.929 10 0 BCAERO COCc1cc(C(=O)NC[C@H]2CC[NH2+]C2)no1 ZINC000133643038 591845238 /nfs/dbraw/zinc/84/52/38/591845238.db2.gz COTBYKWWFGVHKT-QMMMGPOBSA-N 1 0 239.275 0.160 10 0 BCAERO C[C@@H]1OCC[C@H]1NC(=O)[C@H]([NH3+])c1ccccc1 ZINC000134255843 591906901 /nfs/dbraw/zinc/90/69/01/591906901.db2.gz SKWHLVDWJUOZHK-MVWJERBFSA-N 1 0 234.299 0.980 10 0 BCAERO C[C@@H]1OCC[C@H]1NC(=O)[C@@H]1CCC[NH2+]C1 ZINC000134256781 591908215 /nfs/dbraw/zinc/90/82/15/591908215.db2.gz WRCQAXPJWKAOCP-IVZWLZJFSA-N 1 0 212.293 0.280 10 0 BCAERO O=C(CCc1ccccn1)NC[C@H]1CC[NH2+]C1 ZINC000136039323 592091157 /nfs/dbraw/zinc/09/11/57/592091157.db2.gz AVTHUYUWWRJIKU-NSHDSACASA-N 1 0 233.315 0.740 10 0 BCAERO COC(CN1[C@H](C)COC[C@@H]1C)OC ZINC000136771947 592150329 /nfs/dbraw/zinc/15/03/29/592150329.db2.gz KOVYVUIMCRXKTR-DTORHVGOSA-N 1 0 203.282 0.715 10 0 BCAERO [NH3+][C@@H]1CCC[C@@H](C(=O)N[C@@H]2CCC[C@@H](O)C2)C1 ZINC000218879019 592188033 /nfs/dbraw/zinc/18/80/33/592188033.db2.gz ADGCHWVWYSPGNK-DDHJBXDOSA-N 1 0 240.347 0.924 10 0 BCAERO C[C@@H]1C[NH+](C[C@@H]2CNC(=O)O2)C[C@@H](C)C1O ZINC000829281848 592707873 /nfs/dbraw/zinc/70/78/73/592707873.db2.gz OYOHPTLEEUVLAM-HLTSFMKQSA-N 1 0 228.292 0.044 10 0 BCAERO CC[C@@H]1C[N@@H+](CC[C@H](N)C(N)=O)C[C@H](CC)O1 ZINC000398503768 634382372 /nfs/dbraw/zinc/38/23/72/634382372.db2.gz AVNAQSPKARBILM-AXFHLTTASA-N 1 0 243.351 0.079 10 0 BCAERO C[C@H]1OCC[C@@H]1NC(=O)[C@@H]1C[C@H](C)CC[NH2+]1 ZINC000253150230 634506643 /nfs/dbraw/zinc/50/66/43/634506643.db2.gz DYLCARAYMCQGKJ-ZNSHCXBVSA-N 1 0 226.320 0.668 10 0 BCAERO [NH3+]CC[C@@H]1CCN(c2ncnc3nc[nH]c32)C1 ZINC000125457383 634506892 /nfs/dbraw/zinc/50/68/92/634506892.db2.gz LGSXTXMJSNHQMY-MRVPVSSYSA-N 1 0 232.291 0.528 10 0 BCAERO NC(=O)c1cc(N2CC[C@H](CC[NH3+])C2)ccn1 ZINC000125474196 634511848 /nfs/dbraw/zinc/51/18/48/634511848.db2.gz AXAYNVUHIQYWQZ-VIFPVBQESA-N 1 0 234.303 0.356 10 0 BCAERO CNc1cc(N2C[C@H]([NH+](C)C)[C@@H](C)C2)ncn1 ZINC000125628114 634606460 /nfs/dbraw/zinc/60/64/60/634606460.db2.gz DBNWYGUXIHWKDJ-UWVGGRQHSA-N 1 0 235.335 0.905 10 0 BCAERO C[C@@H](O)[C@@H](C)[NH2+]Cc1cc(C(N)=O)cs1 ZINC000336761191 635283998 /nfs/dbraw/zinc/28/39/98/635283998.db2.gz NBBLEOYTIGHVSU-RNFRBKRXSA-N 1 0 228.317 0.706 10 0 BCAERO C1COC2(CC[NH+]([C@H]3CCOC3)CC2)O1 ZINC000095015468 635403520 /nfs/dbraw/zinc/40/35/20/635403520.db2.gz ZMQJWBOXQYDRKD-JTQLQIEISA-N 1 0 213.277 0.614 10 0 BCAERO CCn1ccnc(NC[C@@H]2CC[C@H]([NH3+])C2)c1=O ZINC000227643850 635454386 /nfs/dbraw/zinc/45/43/86/635454386.db2.gz PDOHBQMWVHDXNG-ZJUUUORDSA-N 1 0 236.319 0.803 10 0 BCAERO CCC[C@@H](C)NC(=O)[C@H](C)OC1C[NH2+]C1 ZINC000062809807 635464790 /nfs/dbraw/zinc/46/47/90/635464790.db2.gz ANEFTIVMLSKFPU-BDAKNGLRSA-N 1 0 214.309 0.668 10 0 BCAERO CCCCOC[C@@H](O)C[NH2+]C1CC(OC)C1 ZINC000232986571 635522609 /nfs/dbraw/zinc/52/26/09/635522609.db2.gz MKTDIPLGMNCPFS-CXQJBGSLSA-N 1 0 231.336 0.931 10 0 BCAERO COC(=O)[C@H]1C[NH2+]C[C@H]1c1cccc(OC)n1 ZINC000234553403 635556518 /nfs/dbraw/zinc/55/65/18/635556518.db2.gz HHNCVIDJJPPGTC-BDAKNGLRSA-N 1 0 236.271 0.566 10 0 BCAERO COC(=O)[C@@H]1C[NH2+]C[C@@H]1c1cnn(C(C)C)c1 ZINC000234541498 635557499 /nfs/dbraw/zinc/55/74/99/635557499.db2.gz OZUGYTCRUORNNI-GHMZBOCLSA-N 1 0 237.303 0.940 10 0 BCAERO C[C@@H]1CN(C[C@@H](O)c2ccccc2)C[C@@H]1[NH3+] ZINC000235330633 635573980 /nfs/dbraw/zinc/57/39/80/635573980.db2.gz NYXWZJDTZIXGLH-KGYLQXTDSA-N 1 0 220.316 0.999 10 0 BCAERO O=C(NCC[NH+]1CCCC1)n1ccnc1 ZINC000054131776 635611230 /nfs/dbraw/zinc/61/12/30/635611230.db2.gz JIPNUPUXIDNSID-UHFFFAOYSA-N 1 0 208.265 0.537 10 0 BCAERO COC[C@H](C)[NH2+]C/C=C(\C)C(=O)OC ZINC000308434567 631289306 /nfs/dbraw/zinc/28/93/06/631289306.db2.gz KJUDUVBBPGBWEG-QRJSTWQJSA-N 1 0 201.266 0.730 10 0 BCAERO CO[C@@H]1C[C@@H]([NH2+]C[C@](C)(O)CO)C12CCC2 ZINC000308348765 631294610 /nfs/dbraw/zinc/29/46/10/631294610.db2.gz RVXOQWWAJZFDKT-MXWKQRLJSA-N 1 0 229.320 0.277 10 0 BCAERO COC(=O)/C(C)=C\C[NH2+]CC(C)(C)O ZINC000308436756 631330754 /nfs/dbraw/zinc/33/07/54/631330754.db2.gz QHBQFXVAAMAZMJ-YVMONPNESA-N 1 0 201.266 0.466 10 0 BCAERO CCN(CC)S(=O)(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000061883990 631338848 /nfs/dbraw/zinc/33/88/48/631338848.db2.gz ADNOGNWULRUIDK-ZJUUUORDSA-N 1 0 249.380 0.290 10 0 BCAERO Cc1nnc([C@@H]([NH3+])Cc2c[nH]cn2)n1C ZINC000042013785 631353004 /nfs/dbraw/zinc/35/30/04/631353004.db2.gz KQPGWJWPDCBFAN-QMMMGPOBSA-N 1 0 206.253 0.089 10 0 BCAERO CC(C)OC[C@H](O)CN(C)C[C@H](C)[NH3+] ZINC000308481528 631392091 /nfs/dbraw/zinc/39/20/91/631392091.db2.gz MQLOTWSYBULUSX-VHSXEESVSA-N 1 0 204.314 0.051 10 0 BCAERO COC[C@H](C)NC(=O)[C@@H]([NH3+])CC1CC1 ZINC000308497347 631401547 /nfs/dbraw/zinc/40/15/47/631401547.db2.gz UFHDIHXMHWXLES-CBAPKCEASA-N 1 0 200.282 0.265 10 0 BCAERO CC(C)OC[C@@H](O)CN(C)C[C@@H](C)[NH3+] ZINC000308481530 631390898 /nfs/dbraw/zinc/39/08/98/631390898.db2.gz MQLOTWSYBULUSX-ZJUUUORDSA-N 1 0 204.314 0.051 10 0 BCAERO CC(C)(CO)[NH2+]CCN1CCCCC1 ZINC000308553978 631421846 /nfs/dbraw/zinc/42/18/46/631421846.db2.gz YQJWIVSEHJTCJG-UHFFFAOYSA-N 1 0 200.326 0.833 10 0 BCAERO [NH3+]C1CC(CNS(=O)(=O)N2CCCCC2)C1 ZINC000084447532 631439002 /nfs/dbraw/zinc/43/90/02/631439002.db2.gz ACZMIZHRUIHHNZ-UHFFFAOYSA-N 1 0 247.364 0.044 10 0 BCAERO CCN(c1cc(OC)ncn1)[C@H]1CC[NH2+]C1 ZINC000085481349 631461673 /nfs/dbraw/zinc/46/16/73/631461673.db2.gz WHPCFLSCXALNJQ-VIFPVBQESA-N 1 0 222.292 0.673 10 0 BCAERO C[C@@H]([NH3+])c1cn(C[C@H](O)C(C)(C)C)nn1 ZINC000308795779 631465853 /nfs/dbraw/zinc/46/58/53/631465853.db2.gz KFKHPYWWGDSOAT-APPZFPTMSA-N 1 0 212.297 0.705 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1c1nc(-c2cnn(C)c2)no1 ZINC000087412672 631479384 /nfs/dbraw/zinc/47/93/84/631479384.db2.gz YIKQHFDTPLMZEG-VXNVDRBHSA-N 1 0 233.275 0.793 10 0 BCAERO C[NH2+][C@H](C)CNC(=O)[C@H]1CCCCO1 ZINC000234431832 631521281 /nfs/dbraw/zinc/52/12/81/631521281.db2.gz PIJDYWXJTHGKCZ-RKDXNWHRSA-N 1 0 200.282 0.280 10 0 BCAERO C[NH2+][C@@H](C)CNC(=O)[C@H]1CCCOC1 ZINC000234423943 631512650 /nfs/dbraw/zinc/51/26/50/631512650.db2.gz IIWCAOHIIZQHEK-IUCAKERBSA-N 1 0 200.282 0.137 10 0 BCAERO C[NH2+][C@@H](C)CNC(=O)COCC(F)(F)F ZINC000234418356 631513161 /nfs/dbraw/zinc/51/31/61/631513161.db2.gz MOYQNZPOBXVACA-LURJTMIESA-N 1 0 228.214 0.289 10 0 BCAERO C[NH2+][C@H](C)CNS(=O)(=O)CCC(C)C ZINC000234438769 631528147 /nfs/dbraw/zinc/52/81/47/631528147.db2.gz VOVXGXFPIMFLTE-SECBINFHSA-N 1 0 222.354 0.560 10 0 BCAERO Cc1cc(NCC[C@H]2CCC[NH2+]2)n2ncnc2n1 ZINC000166888669 631529610 /nfs/dbraw/zinc/52/96/10/631529610.db2.gz QFSYXRBDEOGNDP-SNVBAGLBSA-N 1 0 246.318 0.987 10 0 BCAERO CCOC(=O)/C=C\C[NH2+][C@@H]1CCO[C@@H]1C ZINC000308723855 631555923 /nfs/dbraw/zinc/55/59/23/631555923.db2.gz HOLSFNGYKCQRFJ-BYIQDMNASA-N 1 0 213.277 0.873 10 0 BCAERO C[C@@H](C[NH+](C)C)n1nc(N)nc1Br ZINC000725249313 631565794 /nfs/dbraw/zinc/56/57/94/631565794.db2.gz OXSGYEUQEFJDLM-YFKPBYRVSA-N 1 0 248.128 0.745 10 0 BCAERO Cc1cc(=O)n([C@@H](C)C[NH+](C)C)cc1N ZINC000725249315 631566992 /nfs/dbraw/zinc/56/69/92/631566992.db2.gz PQRUDRDWLNUARE-VIFPVBQESA-N 1 0 209.293 0.862 10 0 BCAERO CCCNC(=O)C[N@@H+]1C[C@H](C)[C@H](C(=O)OC)C1 ZINC000094996870 631583995 /nfs/dbraw/zinc/58/39/95/631583995.db2.gz ROFDICAMLDEBBV-VHSXEESVSA-N 1 0 242.319 0.254 10 0 BCAERO COC(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C(C)C)c1 ZINC000234552574 631586376 /nfs/dbraw/zinc/58/63/76/631586376.db2.gz OZUGYTCRUORNNI-MNOVXSKESA-N 1 0 237.303 0.940 10 0 BCAERO Cc1nc(CC(=O)NCC[C@@H](C)[NH3+])cs1 ZINC000178670694 635649086 /nfs/dbraw/zinc/64/90/86/635649086.db2.gz DHFRIERCEXVUHR-SSDOTTSWSA-N 1 0 227.333 0.848 10 0 BCAERO CC(C)[C@@H]([NH3+])Cn1cc(S(C)(=O)=O)cn1 ZINC000725251641 631644136 /nfs/dbraw/zinc/64/41/36/631644136.db2.gz CXJLXVITYGALSU-VIFPVBQESA-N 1 0 231.321 0.270 10 0 BCAERO [NH3+]CC1CC(NS(=O)(=O)CC2CC2)C1 ZINC000308830482 631678192 /nfs/dbraw/zinc/67/81/92/631678192.db2.gz AIAGFOOQDUFVQW-UHFFFAOYSA-N 1 0 218.322 0.053 10 0 BCAERO C[C@H]1COCCN1C(=O)[C@@H]([NH3+])CC1CC1 ZINC000308854406 631695359 /nfs/dbraw/zinc/69/53/59/631695359.db2.gz NRLXOCWSETWJDK-WPRPVWTQSA-N 1 0 212.293 0.361 10 0 BCAERO Cn1cnc(C[NH2+][C@H]2CCC[C@H](O)C2)c1 ZINC000308947213 631746733 /nfs/dbraw/zinc/74/67/33/631746733.db2.gz WONYVFIOHRWGLA-ONGXEEELSA-N 1 0 209.293 0.813 10 0 BCAERO [NH3+][C@@H](CC1CC1)C(=O)N[C@H]1CCCOC1 ZINC000308966406 631771150 /nfs/dbraw/zinc/77/11/50/631771150.db2.gz MQFDQEYTCDHFNA-UWVGGRQHSA-N 1 0 212.293 0.409 10 0 BCAERO [NH3+][C@H](CC1CC1)C(=O)N[C@H]1CCCOC1 ZINC000308966407 631772664 /nfs/dbraw/zinc/77/26/64/631772664.db2.gz MQFDQEYTCDHFNA-VHSXEESVSA-N 1 0 212.293 0.409 10 0 BCAERO C/C=C\C(=O)N1C[C@@H]2CC[N@H+](C)C[C@H]2C1 ZINC000309010499 631796160 /nfs/dbraw/zinc/79/61/60/631796160.db2.gz WSQCKDLDVNUVTF-WZQADMAKSA-N 1 0 208.305 0.973 10 0 BCAERO C[C@@H](CCO)[NH2+][C@@H]1CCCn2ncnc21 ZINC000309010012 631796774 /nfs/dbraw/zinc/79/67/74/631796774.db2.gz RMAVARFXQWOBIC-DTWKUNHWSA-N 1 0 210.281 0.474 10 0 BCAERO C[C@H]([NH2+]C[C@@H]1CNC(=O)O1)c1cn[nH]c1 ZINC000309002269 631803216 /nfs/dbraw/zinc/80/32/16/631803216.db2.gz ONNLFIGAXMYXNK-POYBYMJQSA-N 1 0 210.237 0.169 10 0 BCAERO CC[NH2+]CC(=O)N[C@@H](C)[C@@H]1CCCO1 ZINC000044647187 631819017 /nfs/dbraw/zinc/81/90/17/631819017.db2.gz XNKVTLITFATOEW-IUCAKERBSA-N 1 0 200.282 0.280 10 0 BCAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)c1ccc[nH]c1=O ZINC000309334128 632003582 /nfs/dbraw/zinc/00/35/82/632003582.db2.gz TVZVRQNXUHQYRJ-APPZFPTMSA-N 1 0 221.260 0.349 10 0 BCAERO C[C@@H]1OCC[C@@H]1NC(=O)[C@@H]([NH3+])CC1CC1 ZINC000308874110 632043391 /nfs/dbraw/zinc/04/33/91/632043391.db2.gz UCPNBNIWSIEIKC-HGNGGELXSA-N 1 0 212.293 0.407 10 0 BCAERO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1C(=O)NCC1CC([NH3+])C1 ZINC000091524632 632048952 /nfs/dbraw/zinc/04/89/52/632048952.db2.gz ILSXUYFZHVIYDU-FEQXDSNMSA-N 1 0 240.347 0.899 10 0 BCAERO [NH3+]C1CC(CNC(=O)[C@@H]2Cc3ccccc3O2)C1 ZINC000091524132 632049570 /nfs/dbraw/zinc/04/95/70/632049570.db2.gz WLJSNYFDTSCFMC-OCTTZUBCSA-N 1 0 246.310 0.844 10 0 BCAERO C[C@H](O)CCNC(=O)[C@H]1CCCC[C@H]1C[NH3+] ZINC000251265530 635702586 /nfs/dbraw/zinc/70/25/86/635702586.db2.gz WOFIGRHGXQCZBW-DCAQKATOSA-N 1 0 228.336 0.639 10 0 BCAERO CC1(C)CCC[C@@H]1[NH2+][C@@H]1CS(=O)(=O)C[C@H]1O ZINC000251144033 635703160 /nfs/dbraw/zinc/70/31/60/635703160.db2.gz JQHXADOYOJGVJP-BBBLOLIVSA-N 1 0 247.360 0.313 10 0 BCAERO C[C@@]1(C(=O)NC[C@H](O)C(F)(F)F)CC[NH2+]C1 ZINC000226320727 635728007 /nfs/dbraw/zinc/72/80/07/635728007.db2.gz HSJOBOMZIOCNEC-POYBYMJQSA-N 1 0 240.225 0.025 10 0 BCAERO CC(C)OC[C@H](O)CN1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000310375213 635764595 /nfs/dbraw/zinc/76/45/95/635764595.db2.gz ZLUFMNGAYBAYOT-YNEHKIRRSA-N 1 0 242.363 0.456 10 0 BCAERO COC(=O)C[C@H]([NH2+]CC1(O)CCC1)C1CC1 ZINC000309491981 632418432 /nfs/dbraw/zinc/41/84/32/632418432.db2.gz XJXXQKGETJNMCD-JTQLQIEISA-N 1 0 227.304 0.833 10 0 BCAERO Cc1nnc2n1C[C@H]([NH2+][C@H](C)CCO)CC2 ZINC000309503855 632433549 /nfs/dbraw/zinc/43/35/49/632433549.db2.gz BNCXDFLIUYRHCC-PSASIEDQSA-N 1 0 224.308 0.262 10 0 BCAERO [NH3+]Cc1cn(CCOc2cccc(F)c2)nn1 ZINC000052675714 632461344 /nfs/dbraw/zinc/46/13/44/632461344.db2.gz TYDBRMPQOXGGBS-UHFFFAOYSA-N 1 0 236.250 0.955 10 0 BCAERO COC(=O)C(=O)[C@H](C)[C@@H]1CCCCC[NH2+]1 ZINC000168398490 632464296 /nfs/dbraw/zinc/46/42/96/632464296.db2.gz LBFSLVRXUGXIAP-BDAKNGLRSA-N 1 0 213.277 0.897 10 0 BCAERO CC/C=C(\C)C(=O)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000309521701 632468106 /nfs/dbraw/zinc/46/81/06/632468106.db2.gz UGYKLUVXMCHGIR-DQRKKKBRSA-N 1 0 212.293 0.039 10 0 BCAERO C[C@H]([NH2+]C[C@@H]1CNC(=O)O1)c1ccnn1C ZINC000309549303 632482011 /nfs/dbraw/zinc/48/20/11/632482011.db2.gz HQVGJUVSQKDLSI-JGVFFNPUSA-N 1 0 224.264 0.179 10 0 BCAERO C[C@H]([NH3+])[C@@H]1CN(C[C@@H]2CCCO2)CCO1 ZINC000169172604 632522098 /nfs/dbraw/zinc/52/20/98/632522098.db2.gz BFNUYCAFNWLBHM-DCAQKATOSA-N 1 0 214.309 0.213 10 0 BCAERO [NH3+][C@@H]1CC[C@H](C(=O)N[C@H]2CCCOC2)C1 ZINC000250989836 632545131 /nfs/dbraw/zinc/54/51/31/632545131.db2.gz CGUTVEJLQRSJRD-AEJSXWLSSA-N 1 0 212.293 0.409 10 0 BCAERO COC(=O)c1ccc(C[NH2+][C@@H](C)[C@@H](C)O)o1 ZINC000309637352 632597254 /nfs/dbraw/zinc/59/72/54/632597254.db2.gz JTXKFODSJIOLJA-JGVFFNPUSA-N 1 0 227.260 0.925 10 0 BCAERO C[C@@H]1COCCN1C(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000235283609 632605702 /nfs/dbraw/zinc/60/57/02/632605702.db2.gz QGGWSYFFVUDPES-OUAUKWLOSA-N 1 0 226.320 0.609 10 0 BCAERO C[C@H]1CN(c2ccnc(N(C)C)n2)[C@@H](C)C[NH2+]1 ZINC000086471381 632650209 /nfs/dbraw/zinc/65/02/09/632650209.db2.gz BZJCDDQCDJVIIA-UWVGGRQHSA-N 1 0 235.335 0.729 10 0 BCAERO C[C@H]1CN(c2ncnc3c2cnn3C)[C@@H](C)C[NH2+]1 ZINC000086471179 632650670 /nfs/dbraw/zinc/65/06/70/632650670.db2.gz SJLOOISKHWEUCS-IUCAKERBSA-N 1 0 246.318 0.550 10 0 BCAERO C(c1noc(C[C@H]2C[NH2+]CCO2)n1)C1CCC1 ZINC000310243612 632712132 /nfs/dbraw/zinc/71/21/32/632712132.db2.gz UHRWEJZSUSRWMO-JTQLQIEISA-N 1 0 237.303 0.943 10 0 BCAERO CCCCOC(=O)CN1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000310309336 632718621 /nfs/dbraw/zinc/71/86/21/632718621.db2.gz DJFMMEOTFNNHQH-TUAOUCFPSA-N 1 0 240.347 0.999 10 0 BCAERO Cc1ncn(C[C@@H]([NH2+]C(C)C)C(N)=O)c1C ZINC000051928178 632765108 /nfs/dbraw/zinc/76/51/08/632765108.db2.gz SPBYEUNLDRRFHA-SNVBAGLBSA-N 1 0 224.308 0.352 10 0 BCAERO Cc1ncn(C[C@@H]([NH2+]C2CC2)C(N)=O)c1C ZINC000051928300 632766223 /nfs/dbraw/zinc/76/62/23/632766223.db2.gz SBZATHLPUJZNFC-SNVBAGLBSA-N 1 0 222.292 0.106 10 0 BCAERO CCCc1nsc(NC[C@H]2C[NH2+]CCO2)n1 ZINC000227786830 632820065 /nfs/dbraw/zinc/82/00/65/632820065.db2.gz WHONCHSCCJAWEA-MRVPVSSYSA-N 1 0 242.348 0.891 10 0 BCAERO COC(=O)[C@H]1C[N@H+](Cc2cn[nH]c2)C[C@H]1C ZINC000309339790 632947809 /nfs/dbraw/zinc/94/78/09/632947809.db2.gz WPHANGSFBMBMLK-SCZZXKLOSA-N 1 0 223.276 0.651 10 0 BCAERO Cc1nc(N2CC[C@H]([NH+](C)C)C2)cc(=O)[nH]1 ZINC000165412717 633091771 /nfs/dbraw/zinc/09/17/71/633091771.db2.gz XMJQFJLQKMPFEB-VIFPVBQESA-N 1 0 222.292 0.631 10 0 BCAERO C[C@@H]([NH3+])CN(C)c1ncccc1S(C)(=O)=O ZINC000167015735 633124568 /nfs/dbraw/zinc/12/45/68/633124568.db2.gz XBSIGYDQSNHVBG-MRVPVSSYSA-N 1 0 243.332 0.269 10 0 BCAERO C[C@@H]1CC[NH2+][C@H](C(=O)N[C@@H]2CCCOC2)C1 ZINC000167442571 633129330 /nfs/dbraw/zinc/12/93/30/633129330.db2.gz QNPJXMBEQFKSKG-MXWKQRLJSA-N 1 0 226.320 0.670 10 0 BCAERO O[C@H]1CCC[C@@H](C[N@@H+]2CCC3(C2)OCCO3)C1 ZINC000306748453 635975053 /nfs/dbraw/zinc/97/50/53/635975053.db2.gz LBXGHXIQZMAJEB-NEPJUHHUSA-N 1 0 241.331 0.986 10 0 BCAERO C[C@@H]1[C@@H](N(C)C)CC[N@@H+]1CC(C)(C)O ZINC000307329515 635986109 /nfs/dbraw/zinc/98/61/09/635986109.db2.gz LWIFTMNJGVYEKB-ZJUUUORDSA-N 1 0 200.326 0.782 10 0 BCAERO C[NH+](C)[C@@H]1CCN(C(=O)C(C)(C)F)C1 ZINC000307471449 635989339 /nfs/dbraw/zinc/98/93/39/635989339.db2.gz XMDPVKJSFXHYHL-MRVPVSSYSA-N 1 0 202.273 0.897 10 0 BCAERO CNC(=O)c1ccc(N2CC[C@H](CC[NH3+])C2)nn1 ZINC000125452894 636024718 /nfs/dbraw/zinc/02/47/18/636024718.db2.gz FFPQEWDXAFAGFX-VIFPVBQESA-N 1 0 249.318 0.011 10 0 BCAERO CCOC(=O)[C@H](C)NC(=O)[C@H]1CCC[NH2+]C1 ZINC000049375226 636079391 /nfs/dbraw/zinc/07/93/91/636079391.db2.gz OZRNUKFXGFGYNI-IUCAKERBSA-N 1 0 228.292 0.054 10 0 BCAERO C[C@H]1CCCCN1C(=O)C[NH2+]C(C)(C)CO ZINC000067486220 636139488 /nfs/dbraw/zinc/13/94/88/636139488.db2.gz GXFWNGOPBMGCQL-JTQLQIEISA-N 1 0 228.336 0.748 10 0 BCAERO CCc1nnc(C[NH2+][C@H](CO)C2CC2)n1C ZINC000309960280 633987037 /nfs/dbraw/zinc/98/70/37/633987037.db2.gz KRIIRGRKBQHEET-SECBINFHSA-N 1 0 224.308 0.238 10 0 BCAERO CO[C@H]1C[C@@H](CO)[N@H+](CCCCCCO)C1 ZINC000309770435 634004227 /nfs/dbraw/zinc/00/42/27/634004227.db2.gz OMDINPPRZPRCOK-RYUDHWBXSA-N 1 0 231.336 0.621 10 0 BCAERO CC(C)OC(=O)CNC(=O)C[C@@H]([NH3+])C(C)C ZINC000312284266 634034709 /nfs/dbraw/zinc/03/47/09/634034709.db2.gz OPZZJHPHLXEVOP-SECBINFHSA-N 1 0 230.308 0.428 10 0 BCAERO CC(C)OC(=O)CNC(=O)C[C@H]([NH3+])C(C)C ZINC000312284281 634035034 /nfs/dbraw/zinc/03/50/34/634035034.db2.gz OPZZJHPHLXEVOP-VIFPVBQESA-N 1 0 230.308 0.428 10 0 BCAERO C[C@@H]1CC[C@H](c2nc(N3CC[NH2+]CC3)no2)O1 ZINC000310295973 634107578 /nfs/dbraw/zinc/10/75/78/634107578.db2.gz OWPOVSPLMKARIH-RKDXNWHRSA-N 1 0 238.291 0.719 10 0 BCAERO COC(=O)c1ccc(NC[C@@H]2CCC[NH2+]2)nn1 ZINC000053255403 634109646 /nfs/dbraw/zinc/10/96/46/634109646.db2.gz VNDKTJNAIQPUEJ-QMMMGPOBSA-N 1 0 236.275 0.427 10 0 BCAERO CC(C)S(=O)(=O)CC[N@@H+]1C[C@@H](C)[C@H](CO)C1 ZINC000190870873 634198909 /nfs/dbraw/zinc/19/89/09/634198909.db2.gz GCELQQBQRHCYRS-MNOVXSKESA-N 1 0 249.376 0.370 10 0 BCAERO O=S1(=O)CCCCN1[C@H]1CCCC[NH2+]C1 ZINC000162650075 634252390 /nfs/dbraw/zinc/25/23/90/634252390.db2.gz SODPJKMWQIEKEF-JTQLQIEISA-N 1 0 232.349 0.554 10 0 BCAERO Cc1cccc(NC(=O)[C@@H]([NH3+])CO)c1C ZINC000220317621 634261243 /nfs/dbraw/zinc/26/12/43/634261243.db2.gz JRAQSMYGHOYNLY-VIFPVBQESA-N 1 0 208.261 0.562 10 0 BCAERO Cc1ccccc1CN(C)C(=O)[C@@H]([NH3+])CO ZINC000259021109 635234390 /nfs/dbraw/zinc/23/43/90/635234390.db2.gz SVYWOVNYVPPLFW-NSHDSACASA-N 1 0 222.288 0.273 10 0 BCAERO COC(=O)c1ccc(C[NH2+][C@H](C)[C@@H](C)O)[nH]1 ZINC000336725925 635255268 /nfs/dbraw/zinc/25/52/68/635255268.db2.gz BZILFEDOUBXKQY-HTQZYQBOSA-N 1 0 226.276 0.660 10 0 BCAERO Cc1ccc(O)c(C[NH2+][C@H](C)[C@H](C)O)n1 ZINC000336752483 635258040 /nfs/dbraw/zinc/25/80/40/635258040.db2.gz GXSQEOYGSZCCBK-BDAKNGLRSA-N 1 0 210.277 0.955 10 0 BCAERO C[C@H](O)[C@H](C)[NH2+]Cc1cn(C(C)(C)C)nn1 ZINC000336777010 635287880 /nfs/dbraw/zinc/28/78/80/635287880.db2.gz HEAPDBOKDIKDEC-IUCAKERBSA-N 1 0 226.324 0.892 10 0 BCAERO Cc1cnn(CCNC(=O)C[C@H]([NH3+])C2CC2)c1 ZINC000235937331 635590696 /nfs/dbraw/zinc/59/06/96/635590696.db2.gz DAPZRKBOUVZOGX-NSHDSACASA-N 1 0 236.319 0.435 10 0 BCAERO COC(=O)N[C@@H](C(=O)NCC[C@H](C)[NH3+])C(C)C ZINC000178619773 635620468 /nfs/dbraw/zinc/62/04/68/635620468.db2.gz SIVNSWBGCWVHOZ-DTWKUNHWSA-N 1 0 245.323 0.221 10 0 BCAERO Cn1ncnc1[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC000054498634 636744057 /nfs/dbraw/zinc/74/40/57/636744057.db2.gz UBOSRAYHGXUVHV-JTQLQIEISA-N 1 0 218.260 0.763 10 0 BCAERO Cn1ncnc1[C@H]([NH3+])Cc1ccc(O)cc1 ZINC000054498633 636744110 /nfs/dbraw/zinc/74/41/10/636744110.db2.gz UBOSRAYHGXUVHV-SNVBAGLBSA-N 1 0 218.260 0.763 10 0 BCAERO CCON1CCC([NH2+][C@@H]2CCCNC2=O)CC1 ZINC000323137717 636902325 /nfs/dbraw/zinc/90/23/25/636902325.db2.gz WERINEDEQCFRTK-LLVKDONJSA-N 1 0 241.335 0.271 10 0 BCAERO CON1CCC([NH2+][C@H]2CCO[C@H]2C)CC1 ZINC000323138135 636902647 /nfs/dbraw/zinc/90/26/47/636902647.db2.gz WIVVDAOXFRXBQR-ONGXEEELSA-N 1 0 214.309 0.779 10 0 BCAERO [NH3+][C@H]1CCCN(C(=O)[C@H](O)c2ccccc2)C1 ZINC000041028052 636950468 /nfs/dbraw/zinc/95/04/68/636950468.db2.gz KGGUYDFJKWPXBR-NWDGAFQWSA-N 1 0 234.299 0.670 10 0 BCAERO CSCC[C@@H]([NH3+])C(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000163571613 639060930 /nfs/dbraw/zinc/06/09/30/639060930.db2.gz HQYGPUWMVVIVGL-LPEHRKFASA-N 1 0 246.376 0.703 10 0 BCAERO Cn1nc(C2CCCCC2)nc1[C@@H]([NH3+])CO ZINC000054699422 640320561 /nfs/dbraw/zinc/32/05/61/640320561.db2.gz SPMGVEFNMAKEFS-VIFPVBQESA-N 1 0 224.308 0.855 10 0 BCAERO c1cc(C[NH2+][C@H]2CCc3ncnn3C2)co1 ZINC000163925580 640429137 /nfs/dbraw/zinc/42/91/37/640429137.db2.gz GQEDRGRYNDJGFR-JTQLQIEISA-N 1 0 218.260 0.976 10 0 BCAERO CC[NH2+]CC(=O)N[C@H]1CCC[C@@H](O)C1 ZINC000044647616 640445980 /nfs/dbraw/zinc/44/59/80/640445980.db2.gz MNUDUUQRFIKRJG-DTWKUNHWSA-N 1 0 200.282 0.016 10 0 BCAERO CC[NH2+]CC(=O)N(C)C[C@H]1CCCO1 ZINC000044651493 640448576 /nfs/dbraw/zinc/44/85/76/640448576.db2.gz KYKSODZBTLMZGV-SECBINFHSA-N 1 0 200.282 0.233 10 0 BCAERO C[C@@H](C[NH3+])C(=O)N(C)C[C@H]1CCCO1 ZINC000044804616 640464811 /nfs/dbraw/zinc/46/48/11/640464811.db2.gz DCUDKFJNPZVNFW-DTWKUNHWSA-N 1 0 200.282 0.219 10 0 BCAERO CCCOc1ccnc(N(C)CC[NH2+]C)n1 ZINC000164423924 640484682 /nfs/dbraw/zinc/48/46/82/640484682.db2.gz PEGLFKVBOPLWOQ-UHFFFAOYSA-N 1 0 224.308 0.921 10 0 BCAERO O=C(N[C@@H]1C[NH+]2CCC1CC2)c1ccncc1 ZINC000222590758 640492828 /nfs/dbraw/zinc/49/28/28/640492828.db2.gz VPFHCXWGCKGSJK-GFCCVEGCSA-N 1 0 231.299 0.906 10 0 BCAERO O=C(N[C@@H]1C[NH+]2CCC1CC2)[C@H]1CCCO1 ZINC000222591040 640492839 /nfs/dbraw/zinc/49/28/39/640492839.db2.gz ADHXQIPYXZTTHH-GHMZBOCLSA-N 1 0 224.304 0.376 10 0 BCAERO C[C@@H]1C[C@H]1C(=O)N[C@@H]1C[NH+]2CCC1CC2 ZINC000222593005 640492948 /nfs/dbraw/zinc/49/29/48/640492948.db2.gz MHAIIPHWOYUWOD-FBIMIBRVSA-N 1 0 208.305 0.853 10 0 BCAERO CCOC(=O)[C@@H]1C[NH2+]C[C@@H]1c1ccnn1C ZINC000164780931 640505150 /nfs/dbraw/zinc/50/51/50/640505150.db2.gz LGKXENNVBBBGPA-DTWKUNHWSA-N 1 0 223.276 0.286 10 0 BCAERO CCC[NH2+][C@](C)(Cn1ccnc1C)C(N)=O ZINC000045433009 640557115 /nfs/dbraw/zinc/55/71/15/640557115.db2.gz DHPGNWOWWSIBDG-LLVKDONJSA-N 1 0 224.308 0.435 10 0 BCAERO CCc1nccn1C[C@@H]([NH2+]C(C)C)C(N)=O ZINC000045460514 640567843 /nfs/dbraw/zinc/56/78/43/640567843.db2.gz SMMCQHIRBOHKHK-SECBINFHSA-N 1 0 224.308 0.297 10 0 BCAERO COc1cc(C)nc(N2CCC[NH2+]CC2)n1 ZINC000166450904 640640986 /nfs/dbraw/zinc/64/09/86/640640986.db2.gz XGJSQRLGRAOKQF-UHFFFAOYSA-N 1 0 222.292 0.593 10 0 BCAERO COc1cc(C)nc(N2CC[C@H](C[NH3+])C2)n1 ZINC000166458016 640642946 /nfs/dbraw/zinc/64/29/46/640642946.db2.gz UQBRTDFTCUUERT-SECBINFHSA-N 1 0 222.292 0.579 10 0 BCAERO COc1cc(C)nc(NC[C@H]2CC[NH2+]C2)n1 ZINC000166466110 640646246 /nfs/dbraw/zinc/64/62/46/640646246.db2.gz QPIGUFLNHNTVGG-VIFPVBQESA-N 1 0 222.292 0.815 10 0 BCAERO Cc1nc([C@@H](C)N2CC[NH2+]CC2)n(C)n1 ZINC000054499123 640705900 /nfs/dbraw/zinc/70/59/00/640705900.db2.gz IYKLMEZUEXIWEU-MRVPVSSYSA-N 1 0 209.297 0.090 10 0 BCAERO Cn1nc(C(C)(C)C)nc1[C@H]([NH3+])CCO ZINC000054698625 640711235 /nfs/dbraw/zinc/71/12/35/640711235.db2.gz XZCMJFUGTBLFKO-SSDOTTSWSA-N 1 0 212.297 0.495 10 0 BCAERO CCOC[C@@H](O)C[N@@H+]1CCC[C@@H](C(C)=O)C1 ZINC000225863436 640712731 /nfs/dbraw/zinc/71/27/31/640712731.db2.gz BGVZXYSZMDGDQU-NEPJUHHUSA-N 1 0 229.320 0.685 10 0 BCAERO CC[S@](=O)CC[NH2+][C@@H]1CCCC[C@H]1O ZINC000226238150 640741390 /nfs/dbraw/zinc/74/13/90/640741390.db2.gz XVJMRBKVIXFRMO-RULNRJAQSA-N 1 0 219.350 0.648 10 0 BCAERO Cc1cc(=O)c(C(=O)N[C@@H]2CCC[C@H]2C[NH3+])c[nH]1 ZINC000226270134 640746200 /nfs/dbraw/zinc/74/62/00/640746200.db2.gz KMYCVGRAGJWRAX-GXSJLCMTSA-N 1 0 249.314 0.541 10 0 BCAERO CC(C)([NH3+])CCC(=O)NC[C@@H](O)C(F)(F)F ZINC000226320818 640748413 /nfs/dbraw/zinc/74/84/13/640748413.db2.gz WCEQIXLRZUYAEF-ZCFIWIBFSA-N 1 0 242.241 0.543 10 0 BCAERO CC(C)[C@H](NC(=O)[C@@H]1CCC[C@@H]([NH3+])C1)C(N)=O ZINC000226337203 640750741 /nfs/dbraw/zinc/75/07/41/640750741.db2.gz NSLFUHVLIRDKDU-BBBLOLIVSA-N 1 0 241.335 0.130 10 0 BCAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)NCc1csc(=O)[nH]1 ZINC000226684601 640788338 /nfs/dbraw/zinc/78/83/38/640788338.db2.gz RCVINRKQYZCAHT-HTRCEHHLSA-N 1 0 243.332 0.426 10 0 BCAERO CC(C)OC[C@@H](O)CN1C[C@@H](C)[C@H]([NH+](C)C)C1 ZINC000227234340 640821386 /nfs/dbraw/zinc/82/13/86/640821386.db2.gz LHVSNQSDOPARLA-FRRDWIJNSA-N 1 0 244.379 0.654 10 0 BCAERO CCCCOC[C@@H](O)CN(C)CC[NH3+] ZINC000227910306 640853384 /nfs/dbraw/zinc/85/33/84/640853384.db2.gz LODGBXIYYVADEN-JTQLQIEISA-N 1 0 204.314 0.055 10 0 BCAERO CO[C@H](c1noc([C@@H]2C[NH2+]CCO2)n1)C1CC1 ZINC000227330294 640828101 /nfs/dbraw/zinc/82/81/01/640828101.db2.gz DIVOVXWAVYVOAI-IUCAKERBSA-N 1 0 239.275 0.828 10 0 BCAERO CCCCOC[C@H](O)CN(C)CC[NH3+] ZINC000227910310 640854258 /nfs/dbraw/zinc/85/42/58/640854258.db2.gz LODGBXIYYVADEN-SNVBAGLBSA-N 1 0 204.314 0.055 10 0 BCAERO O[C@@H](C[N@@H+]1CCN2CCCC[C@@H]2C1)C1CC1 ZINC000227382251 640831144 /nfs/dbraw/zinc/83/11/44/640831144.db2.gz ZESLBAXDSJCKNY-OLZOCXBDSA-N 1 0 224.348 0.927 10 0 BCAERO C[C@@]1(C(=O)NC[C@H](O)C(F)(F)F)CCC[NH2+]1 ZINC000227424267 640833333 /nfs/dbraw/zinc/83/33/33/640833333.db2.gz AYDOBGODQVCERG-XPUUQOCRSA-N 1 0 240.225 0.168 10 0 BCAERO CCCCOC[C@H](O)C[N@@H+]1CCN(C)[C@@H](C)C1 ZINC000227906957 640851737 /nfs/dbraw/zinc/85/17/37/640851737.db2.gz KNKOQNVTTNJTNC-QWHCGFSZSA-N 1 0 244.379 0.800 10 0 BCAERO CCCCOC[C@H](O)CN1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000227910542 640853348 /nfs/dbraw/zinc/85/33/48/640853348.db2.gz KRWDVTSNJUICMI-RWMBFGLXSA-N 1 0 244.379 0.846 10 0 BCAERO CCCCOC[C@H](O)C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000227910276 640853413 /nfs/dbraw/zinc/85/34/13/640853413.db2.gz QLYKXDKJWNODFZ-NWDGAFQWSA-N 1 0 230.352 0.445 10 0 BCAERO CCCCOC[C@@H](O)CN1CC[C@@H]([NH2+]C)C1 ZINC000227911383 640854201 /nfs/dbraw/zinc/85/42/01/640854201.db2.gz COHJAQAAQZQVED-NEPJUHHUSA-N 1 0 230.352 0.458 10 0 BCAERO CN(c1nc(C(F)(F)F)ns1)C1C[NH2+]C1 ZINC000228791037 640895284 /nfs/dbraw/zinc/89/52/84/640895284.db2.gz DWYPYAWFZVZWBV-UHFFFAOYSA-N 1 0 238.238 0.965 10 0 BCAERO CCn1cncc1[C@H]1C[NH2+]C[C@@H]1C(=O)OC ZINC000229206611 640933103 /nfs/dbraw/zinc/93/31/03/640933103.db2.gz DKTXVAMLOMJJND-IUCAKERBSA-N 1 0 223.276 0.379 10 0 BCAERO CCOC(=O)[C@@H]1C[NH2+]C[C@]12CCCOCC2 ZINC000229213497 640933821 /nfs/dbraw/zinc/93/38/21/640933821.db2.gz ZOHPWOOOJUTCLD-CMPLNLGQSA-N 1 0 227.304 0.956 10 0 BCAERO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1c1ccncc1 ZINC000229218257 640934349 /nfs/dbraw/zinc/93/43/49/640934349.db2.gz QDQIULLTYKXGKG-WDEREUQCSA-N 1 0 220.272 0.948 10 0 BCAERO C[S@@](=O)CCN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000229284626 640941713 /nfs/dbraw/zinc/94/17/13/640941713.db2.gz FUHAOSUJTLDZMQ-QMTHXVAHSA-N 1 0 216.350 0.145 10 0 BCAERO Cc1n[nH]cc1C(=O)NC[C@@H]1CC[NH2+]C1 ZINC000087654841 640957497 /nfs/dbraw/zinc/95/74/97/640957497.db2.gz WZCOKJJMMYCIKH-MRVPVSSYSA-N 1 0 208.265 0.057 10 0 BCAERO C[C@@H]1COCCN1C(=O)[C@H](C[NH3+])c1ccccc1 ZINC000061611363 640977199 /nfs/dbraw/zinc/97/71/99/640977199.db2.gz PRQPZJIEDZHWRG-DGCLKSJQSA-N 1 0 248.326 0.976 10 0 BCAERO C[C@@H](O)C1CCN(C(=O)C[C@@H]([NH3+])C2CC2)CC1 ZINC000230062537 641009903 /nfs/dbraw/zinc/00/99/03/641009903.db2.gz ZYOQCWWEKXRVTJ-BXKDBHETSA-N 1 0 240.347 0.733 10 0 BCAERO O=C(NCCC[NH+]1CCCC1)n1ccnc1 ZINC000062069356 641020132 /nfs/dbraw/zinc/02/01/32/641020132.db2.gz MCGHPBAJDZFQCD-UHFFFAOYSA-N 1 0 222.292 0.927 10 0 BCAERO CC(C)[C@H](NC(=O)c1cccc(C[NH3+])c1)C(N)=O ZINC000230418455 641053679 /nfs/dbraw/zinc/05/36/79/641053679.db2.gz QGYUMIMVMBUDJF-NSHDSACASA-N 1 0 249.314 0.385 10 0 BCAERO CC[NH2+][C@H](CCn1cc(C)cn1)C(N)=O ZINC000062535949 641059377 /nfs/dbraw/zinc/05/93/77/641059377.db2.gz BNARWLIAJASLRB-SECBINFHSA-N 1 0 210.281 0.045 10 0 BCAERO CCC[NH2+][C@@H](CCn1cc(C)cn1)C(N)=O ZINC000062535926 641060196 /nfs/dbraw/zinc/06/01/96/641060196.db2.gz RSBLZIWFFXPLDL-JTQLQIEISA-N 1 0 224.308 0.435 10 0 BCAERO CCCCCNC(=O)[C@@H](C)OC1C[NH2+]C1 ZINC000062809785 641093048 /nfs/dbraw/zinc/09/30/48/641093048.db2.gz IJDFIFUZFISRHI-SECBINFHSA-N 1 0 214.309 0.670 10 0 BCAERO CC[C@H](C)NC(=O)[C@H](C)OC1C[NH2+]C1 ZINC000062809784 641093811 /nfs/dbraw/zinc/09/38/11/641093811.db2.gz HOHBQNQPHBQNCP-YUMQZZPRSA-N 1 0 200.282 0.278 10 0 BCAERO CC[C@@H](C)NC(=O)[C@H](C)OC1C[NH2+]C1 ZINC000062809783 641093936 /nfs/dbraw/zinc/09/39/36/641093936.db2.gz HOHBQNQPHBQNCP-SFYZADRCSA-N 1 0 200.282 0.278 10 0 BCAERO FC(F)(F)COCCCOC1C[NH2+]C1 ZINC000062809983 641095805 /nfs/dbraw/zinc/09/58/05/641095805.db2.gz WBSOGSQGOXNAHQ-UHFFFAOYSA-N 1 0 213.199 0.944 10 0 BCAERO Cn1nnnc1NCc1ccc(CC[NH3+])cc1 ZINC000062939415 641110776 /nfs/dbraw/zinc/11/07/76/641110776.db2.gz PFNJXROQJZUNTK-UHFFFAOYSA-N 1 0 232.291 0.323 10 0 BCAERO COCCc1nc(C[C@@H]2CCC[NH2+]C2)no1 ZINC000063084428 641127269 /nfs/dbraw/zinc/12/72/69/641127269.db2.gz AFSLFEKWUNJHFU-VIFPVBQESA-N 1 0 225.292 0.801 10 0 BCAERO COC(=O)[C@H](C)N(C)CC1CC[NH+](C)CC1 ZINC000063121084 641135554 /nfs/dbraw/zinc/13/55/54/641135554.db2.gz YRSCFKYBFXVGQX-JTQLQIEISA-N 1 0 228.336 0.822 10 0 BCAERO CCS(=O)(=O)CC[NH2+][C@@H]1CCCC[C@H]1CO ZINC000231312619 641153939 /nfs/dbraw/zinc/15/39/39/641153939.db2.gz HXMKEUKIWBGLND-WDEREUQCSA-N 1 0 249.376 0.562 10 0 BCAERO [NH3+]C[C@@H]1CCCN1C[C@@H](O)CC(F)(F)F ZINC000307929513 641194338 /nfs/dbraw/zinc/19/43/38/641194338.db2.gz ABJHKWVBFUOXJH-YUMQZZPRSA-N 1 0 226.242 0.723 10 0 BCAERO C[C@@H]1CN(C[C@H](O)CC(F)(F)F)C[C@@H]1[NH3+] ZINC000307943087 641197621 /nfs/dbraw/zinc/19/76/21/641197621.db2.gz REWIQQGCTFDTFZ-PRJMDXOYSA-N 1 0 226.242 0.579 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N1[C@H](C)CCC[C@@H]1C ZINC000088002471 641222544 /nfs/dbraw/zinc/22/25/44/641222544.db2.gz OJAYIEBKPMZWGF-KXUCPTDWSA-N 1 0 214.309 0.750 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N1CCCCCCC1 ZINC000088002546 641223316 /nfs/dbraw/zinc/22/33/16/641223316.db2.gz ZPWWHBIVCMJTPR-SNVBAGLBSA-N 1 0 214.309 0.753 10 0 BCAERO COC[C@@H]([NH3+])C(=O)Nc1nccs1 ZINC000088002115 641223037 /nfs/dbraw/zinc/22/30/37/641223037.db2.gz ZMGDACQIKSKXQB-RXMQYKEDSA-N 1 0 201.251 0.055 10 0 BCAERO CC(C)[C@H](NC(=O)CCCCC[NH3+])C(N)=O ZINC000232227254 641254006 /nfs/dbraw/zinc/25/40/06/641254006.db2.gz AFCGTAQROVKFKS-JTQLQIEISA-N 1 0 229.324 0.132 10 0 BCAERO COC(=O)c1cnc(C2([NH3+])CCC2)nc1 ZINC000675074433 641324738 /nfs/dbraw/zinc/32/47/38/641324738.db2.gz XJGHBNNZNUQDNB-UHFFFAOYSA-N 1 0 207.233 0.601 10 0 BCAERO Cc1cc(N[C@@H]2CCC[C@@H]2C[NH3+])n2ncnc2n1 ZINC000089092146 641427014 /nfs/dbraw/zinc/42/70/14/641427014.db2.gz KMHXWTYNGHWBKZ-NXEZZACHSA-N 1 0 246.318 0.972 10 0 BCAERO Cn1ncc2c1ncnc2N[C@H]1CCC[C@@H]1C[NH3+] ZINC000089092139 641427832 /nfs/dbraw/zinc/42/78/32/641427832.db2.gz LGWIEUUHYDHDEL-SCZZXKLOSA-N 1 0 246.318 0.903 10 0 BCAERO CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCC[C@H](OC)C1 ZINC000151893520 641471921 /nfs/dbraw/zinc/47/19/21/641471921.db2.gz KQHFBJKDDOVYQW-GARJFASQSA-N 1 0 228.336 0.997 10 0 BCAERO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc[nH]c1=O ZINC000040740681 641534145 /nfs/dbraw/zinc/53/41/45/641534145.db2.gz XRPBRGCBHLYIAO-ULKQDVFKSA-N 1 0 247.298 0.800 10 0 BCAERO CN(C[C@H]1CCCO1)C(=O)[C@@H]1CCC[NH2+]C1 ZINC000042465749 641551697 /nfs/dbraw/zinc/55/16/97/641551697.db2.gz MJGRCZLEMJCRDH-GHMZBOCLSA-N 1 0 226.320 0.623 10 0 BCAERO CN(C[C@H]1CCCO1)C(=O)C(C)(C)C[NH3+] ZINC000044751931 641607724 /nfs/dbraw/zinc/60/77/24/641607724.db2.gz JHSCPFPREDGSPM-SECBINFHSA-N 1 0 214.309 0.609 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N1CCNC(=O)[C@H]1C(C)C ZINC000158447624 641634822 /nfs/dbraw/zinc/63/48/22/641634822.db2.gz LPBZZQDZOMHCTI-VHSXEESVSA-N 1 0 241.335 0.097 10 0 BCAERO CN(C)c1noc([C@H]2CCC[C@H]2C[NH3+])n1 ZINC000158840194 641655036 /nfs/dbraw/zinc/65/50/36/641655036.db2.gz PURHPJNGZQPVGB-YUMQZZPRSA-N 1 0 210.281 0.978 10 0 BCAERO COCC[NH2+]CCNc1nnc(C)c(C)n1 ZINC000158986927 641660215 /nfs/dbraw/zinc/66/02/15/641660215.db2.gz VPEMWTCUMAFYSS-UHFFFAOYSA-N 1 0 225.296 0.136 10 0 BCAERO C[C@@H]1C[N@H+](CCC2OCCO2)C[C@H]1CO ZINC000190875341 641893388 /nfs/dbraw/zinc/89/33/88/641893388.db2.gz HBEQGPXRSGHOSW-ZJUUUORDSA-N 1 0 215.293 0.310 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)N[C@@](C)(CCC)C(=O)OC ZINC000154208600 641981402 /nfs/dbraw/zinc/98/14/02/641981402.db2.gz UZMJBQPZJOKAOF-SKDRFNHKSA-N 1 0 244.335 0.962 10 0 BCAERO CC(C)(CO)[NH2+]C[C@@H](O)CC(F)(F)F ZINC000307952954 642310729 /nfs/dbraw/zinc/31/07/29/642310729.db2.gz WUWPTXCLDSFPNM-LURJTMIESA-N 1 0 215.215 0.660 10 0 BCAERO [NH3+][C@@H]1CC[C@@H]1NC(=O)COCc1ccccc1 ZINC000072173900 642314678 /nfs/dbraw/zinc/31/46/78/642314678.db2.gz QEIFOBIEPFUAIA-NEPJUHHUSA-N 1 0 234.299 0.809 10 0 BCAERO C[C@H](CO)[N@H+](CCO)Cc1ccccc1 ZINC000033867946 642411846 /nfs/dbraw/zinc/41/18/46/642411846.db2.gz BWDVWNULJDLPRM-LLVKDONJSA-N 1 0 209.289 0.862 10 0 BCAERO [NH3+][C@H]1CCCN(C(=O)[C@@H]2CCCCO2)C1 ZINC000050970911 642437413 /nfs/dbraw/zinc/43/74/13/642437413.db2.gz KNHICWHLEKJHCM-UWVGGRQHSA-N 1 0 212.293 0.505 10 0 BCAERO CCCC1(CNC(=O)[C@H]([NH3+])COC)CC1 ZINC000232935200 642447809 /nfs/dbraw/zinc/44/78/09/642447809.db2.gz AWKVADKJQXKACA-SECBINFHSA-N 1 0 214.309 0.657 10 0 BCAERO C[NH2+][C@@H](C)CNC(=O)C[C@@H]1CCCCO1 ZINC000234418663 642458295 /nfs/dbraw/zinc/45/82/95/642458295.db2.gz XBRRHFDLASOFOF-UWVGGRQHSA-N 1 0 214.309 0.670 10 0 BCAERO C[NH2+][C@H](C)CNC(=O)COCC(F)(F)F ZINC000234427725 642460095 /nfs/dbraw/zinc/46/00/95/642460095.db2.gz MOYQNZPOBXVACA-ZCFIWIBFSA-N 1 0 228.214 0.289 10 0 BCAERO CCc1cc(C(=O)N2CCC[C@H]2C[NH3+])no1 ZINC000257711891 642510059 /nfs/dbraw/zinc/51/00/59/642510059.db2.gz QZNCQPIKGVCPCC-QMMMGPOBSA-N 1 0 223.276 0.800 10 0 BCAERO CCN(Cc1cn(C)nn1)C[C@@H]1CCC[NH2+]C1 ZINC000233544964 642678701 /nfs/dbraw/zinc/67/87/01/642678701.db2.gz UZTCUXRUSMNGAQ-LLVKDONJSA-N 1 0 237.351 0.637 10 0 BCAERO C[NH+](C)[C@@H]1CCN(CN2CCOC2=S)C1 ZINC000170842949 642693804 /nfs/dbraw/zinc/69/38/04/642693804.db2.gz VNTVCGRTAPOKOZ-SECBINFHSA-N 1 0 229.349 0.197 10 0 BCAERO CC(F)(F)C(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000306410062 642742188 /nfs/dbraw/zinc/74/21/88/642742188.db2.gz MPTCUIKMDQVHNM-RQJHMYQMSA-N 1 0 206.236 0.885 10 0 BCAERO CCN(CCC(=O)OC)[C@@H]1CC[NH2+]C1 ZINC000068890448 642806855 /nfs/dbraw/zinc/80/68/55/642806855.db2.gz VCGMCLFAAXVUMB-SECBINFHSA-N 1 0 200.282 0.233 10 0 BCAERO CCN(CCC(=O)OC)[C@H]1CC[NH2+]C1 ZINC000068890449 642807670 /nfs/dbraw/zinc/80/76/70/642807670.db2.gz VCGMCLFAAXVUMB-VIFPVBQESA-N 1 0 200.282 0.233 10 0 BCAERO C[N@H+](C[C@H](O)C1CC1)C[C@H]1CC[NH+](C)C1 ZINC000068909573 642809062 /nfs/dbraw/zinc/80/90/62/642809062.db2.gz ZNXHHDJUJQJXMS-JQWIXIFHSA-N 1 0 212.337 0.641 10 0 BCAERO C[NH2+]C[C@H](C)C(=O)N1[C@H](C)COC[C@H]1C ZINC000261560123 642868166 /nfs/dbraw/zinc/86/81/66/642868166.db2.gz ZRDRIALLJORKIR-IVZWLZJFSA-N 1 0 214.309 0.478 10 0 BCAERO CC(=O)[C@H]1CCC[N@H+](C[C@H]2CNC(=O)O2)C1 ZINC000250510128 642871018 /nfs/dbraw/zinc/87/10/18/642871018.db2.gz AMKQROLBRAJJPJ-VHSXEESVSA-N 1 0 226.276 0.396 10 0 BCAERO C[C@@]([NH3+])(Cn1cc(C(F)(F)F)cn1)C(N)=O ZINC000070019368 642956140 /nfs/dbraw/zinc/95/61/40/642956140.db2.gz ZQINBYHGMMLDHS-SSDOTTSWSA-N 1 0 236.197 0.105 10 0 BCAERO NC(=O)CC[NH2+][C@@H]1COc2ccccc21 ZINC000070068977 642964928 /nfs/dbraw/zinc/96/49/28/642964928.db2.gz KWUNWGXKQCNUSI-SECBINFHSA-N 1 0 206.245 0.585 10 0 BCAERO C[NH2+][C@H](C)C(=O)N[C@@H]1COc2ccccc21 ZINC000070069112 642967215 /nfs/dbraw/zinc/96/72/15/642967215.db2.gz QWHJXJCBAZYVAN-PSASIEDQSA-N 1 0 220.272 0.844 10 0 BCAERO CCOc1cncc(N2CCC[NH2+]CC2)n1 ZINC000070569912 643038847 /nfs/dbraw/zinc/03/88/47/643038847.db2.gz VLTJVVXQNZNGLD-UHFFFAOYSA-N 1 0 222.292 0.675 10 0 BCAERO Cc1ccn(C[C@](C)([NH2+]C2CC2)C(N)=O)n1 ZINC000070686548 643058559 /nfs/dbraw/zinc/05/85/59/643058559.db2.gz BBSCBDJZQFNPBK-NSHDSACASA-N 1 0 222.292 0.188 10 0 BCAERO C[NH2+][C@@](Cn1ccc(C)n1)(C(N)=O)C1CC1 ZINC000070686361 643058906 /nfs/dbraw/zinc/05/89/06/643058906.db2.gz QZWRAPKWBSIGKX-LLVKDONJSA-N 1 0 222.292 0.045 10 0 BCAERO CCC[NH2+][C@@](C)(Cn1ccc(C)n1)C(N)=O ZINC000070686299 643059498 /nfs/dbraw/zinc/05/94/98/643059498.db2.gz DCXQNAJDXADEGN-NSHDSACASA-N 1 0 224.308 0.435 10 0 BCAERO Cc1ccnn1C[C@@](C)([NH2+]C1CC1)C(N)=O ZINC000070687026 643061084 /nfs/dbraw/zinc/06/10/84/643061084.db2.gz UWGHGZFKLCZETB-LLVKDONJSA-N 1 0 222.292 0.188 10 0 BCAERO Cc1nn(C[C@@]([NH3+])(C(N)=O)C2CC2)cc1Cl ZINC000070704321 643062098 /nfs/dbraw/zinc/06/20/98/643062098.db2.gz CZDWDZCJQGYVCP-JTQLQIEISA-N 1 0 242.710 0.438 10 0 BCAERO Cc1nn(CCC[C@@](C)([NH3+])C(N)=O)cc1Cl ZINC000070704347 643062848 /nfs/dbraw/zinc/06/28/48/643062848.db2.gz YQPRXJGQCDJYCM-SNVBAGLBSA-N 1 0 244.726 0.828 10 0 BCAERO CCC[NH2+][C@H](Cn1ncc(Cl)c1C)C(N)=O ZINC000070704371 643063344 /nfs/dbraw/zinc/06/33/44/643063344.db2.gz GBNMRHCMRPQTKK-SECBINFHSA-N 1 0 244.726 0.698 10 0 BCAERO Cn1nccc1CC[NH2+]C[C@H](O)C(C)(C)C ZINC000304195674 643084489 /nfs/dbraw/zinc/08/44/89/643084489.db2.gz BHDLDKBHXZISQO-NSHDSACASA-N 1 0 225.336 0.959 10 0 BCAERO C[C@@H]([NH2+][C@H]1CCCNC(=O)C1)[C@H](C)O ZINC000306722067 643222344 /nfs/dbraw/zinc/22/23/44/643222344.db2.gz POWIBVLEKKYVSK-VGMNWLOBSA-N 1 0 200.282 0.014 10 0 BCAERO C[C@@H]([NH2+][C@@H]1CCCNC(=O)C1)[C@H](C)O ZINC000306722066 643223282 /nfs/dbraw/zinc/22/32/82/643223282.db2.gz POWIBVLEKKYVSK-HRDYMLBCSA-N 1 0 200.282 0.014 10 0 BCAERO O[C@H]1CCC[C@H](C[N@@H+]2CCC3(C2)OCCO3)C1 ZINC000306748455 643232589 /nfs/dbraw/zinc/23/25/89/643232589.db2.gz LBXGHXIQZMAJEB-RYUDHWBXSA-N 1 0 241.331 0.986 10 0 BCAERO CCOC(=O)/C=C/CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000131155885 643275430 /nfs/dbraw/zinc/27/54/30/643275430.db2.gz WDWKKHAZKLAWAE-FVOPLDGLSA-N 1 0 238.331 0.886 10 0 BCAERO Cn1cc(CCCN2CC[C@@H]2C[NH3+])cn1 ZINC000757142185 643301350 /nfs/dbraw/zinc/30/13/50/643301350.db2.gz FKSILVSJXVBMIY-LLVKDONJSA-N 1 0 208.309 0.386 10 0 BCAERO [NH3+]C[C@@H]1CCN1Cc1cn2ccsc2n1 ZINC000757147290 643326684 /nfs/dbraw/zinc/32/66/84/643326684.db2.gz UBNXDPIHXOGXLL-VIFPVBQESA-N 1 0 222.317 0.929 10 0 BCAERO COc1cc(C)nc(N2CC[C@H]2C[NH3+])n1 ZINC000757152015 643343302 /nfs/dbraw/zinc/34/33/02/643343302.db2.gz RBTWNIHYIJSEMO-QMMMGPOBSA-N 1 0 208.265 0.331 10 0 BCAERO CCN(C)S(=O)(=O)C[C@H]([NH3+])c1ccncc1 ZINC000757154478 643346031 /nfs/dbraw/zinc/34/60/31/643346031.db2.gz ZTSDMCNSCLSHBQ-JTQLQIEISA-N 1 0 243.332 0.363 10 0 BCAERO CN(C)c1nccc(N2CC[C@@H]2C[NH3+])n1 ZINC000757154557 643346220 /nfs/dbraw/zinc/34/62/20/643346220.db2.gz ZDWITDJRLSDZBE-MRVPVSSYSA-N 1 0 207.281 0.080 10 0 BCAERO C[C@@H]([NH3+])CN(C)c1ccc(S(C)(=O)=O)cc1 ZINC000082592697 643352114 /nfs/dbraw/zinc/35/21/14/643352114.db2.gz KDNRVWVFNYAXDL-SECBINFHSA-N 1 0 242.344 0.874 10 0 BCAERO Cc1nc(C)n([C@@H](C)C[C@](C)([NH3+])C(N)=O)n1 ZINC000082800555 643381860 /nfs/dbraw/zinc/38/18/60/643381860.db2.gz MQDSETWNDBDWSI-WKEGUHRASA-N 1 0 225.296 0.049 10 0 BCAERO CC[NH2+][C@](C)(C[C@H](C)n1cncn1)C(N)=O ZINC000082800474 643381962 /nfs/dbraw/zinc/38/19/62/643381962.db2.gz SSQSFRYYSMJDCY-WCBMZHEXSA-N 1 0 225.296 0.083 10 0 BCAERO CCOC(=O)[C@](C)([NH3+])C[C@@H](C)n1cncn1 ZINC000082800463 643382064 /nfs/dbraw/zinc/38/20/64/643382064.db2.gz GDTNPLIUQLUQGZ-PSASIEDQSA-N 1 0 226.280 0.510 10 0 BCAERO CCc1nccn1[C@@H](C)C[C@@](C)([NH3+])C(N)=O ZINC000082800565 643383033 /nfs/dbraw/zinc/38/30/33/643383033.db2.gz QLQCGWJPLUNQGY-GZMMTYOYSA-N 1 0 224.308 0.599 10 0 BCAERO C[NH2+]CCC(=O)NC[C@H]1CCCC[C@H]1O ZINC000082995289 643396682 /nfs/dbraw/zinc/39/66/82/643396682.db2.gz XLMPSIALTZNFME-NXEZZACHSA-N 1 0 214.309 0.263 10 0 BCAERO CS(=O)(=O)CC[NH2+]C[C@@H]1CCCC[C@@H]1O ZINC000082994812 643397707 /nfs/dbraw/zinc/39/77/07/643397707.db2.gz HBYFEIRLNOUDAZ-UWVGGRQHSA-N 1 0 235.349 0.172 10 0 BCAERO C[C@]1(C(=O)N[C@@H]2CCCOC2)CC[NH2+]C1 ZINC000071023496 643411589 /nfs/dbraw/zinc/41/15/89/643411589.db2.gz JLZFDVPENBJRIJ-KOLCDFICSA-N 1 0 212.293 0.281 10 0 BCAERO CC(C)(F)C(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000307156800 643414619 /nfs/dbraw/zinc/41/46/19/643414619.db2.gz ONLIKUIGWPDBKM-JGVFFNPUSA-N 1 0 202.273 0.978 10 0 BCAERO COC[C@@H](O)C[N@@H+]1CCC[C@H](C(C)=O)C1 ZINC000068892113 643432783 /nfs/dbraw/zinc/43/27/83/643432783.db2.gz ALDAVMJMNKBMLC-QWRGUYRKSA-N 1 0 215.293 0.295 10 0 BCAERO CCCc1nccn1C[C@](C)([NH2+]C)C(N)=O ZINC000069964568 643451438 /nfs/dbraw/zinc/45/14/38/643451438.db2.gz ZKTOTVDURFMAES-NSHDSACASA-N 1 0 224.308 0.299 10 0 BCAERO C[NH2+][C@](C)(C[C@H](C)n1cc(Cl)cn1)C(N)=O ZINC000082800529 643526335 /nfs/dbraw/zinc/52/63/35/643526335.db2.gz OSUZIZCYBVGTBJ-OIBJUYFYSA-N 1 0 244.726 0.951 10 0 BCAERO C[C@@H](C[NH3+])c1noc(C[C@H]2CCCO2)n1 ZINC000083525242 643584277 /nfs/dbraw/zinc/58/42/77/643584277.db2.gz VYVDLLGICVAGNX-JGVFFNPUSA-N 1 0 211.265 0.853 10 0 BCAERO C[C@@H](C[NH3+])c1noc(-c2cnns2)n1 ZINC000083592964 643591339 /nfs/dbraw/zinc/59/13/39/643591339.db2.gz DIHBXCVCLDLTKV-BYPYZUCNSA-N 1 0 211.250 0.650 10 0 BCAERO C[C@@](O)(CO)C[NH2+]CCc1ccccc1 ZINC000085251377 643606976 /nfs/dbraw/zinc/60/69/76/643606976.db2.gz SXKJBVQNOAZGNM-LBPRGKRZSA-N 1 0 209.289 0.562 10 0 BCAERO CCCS(=O)(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000085727484 643622826 /nfs/dbraw/zinc/62/28/26/643622826.db2.gz XSCWHAMGVLUEGH-DTWKUNHWSA-N 1 0 220.338 0.456 10 0 BCAERO C[NH2+][C@]1(C(N)=O)CC[C@@H](n2cc(C)cn2)C1 ZINC000086626912 643636204 /nfs/dbraw/zinc/63/62/04/643636204.db2.gz FEQHJFCEEUCCBQ-MWLCHTKSSA-N 1 0 222.292 0.360 10 0 BCAERO C[C@@H]1COCCN1C(=O)CC1([NH3+])CCC1 ZINC000086853264 643642175 /nfs/dbraw/zinc/64/21/75/643642175.db2.gz ZXNKXFDYCCCFEU-SECBINFHSA-N 1 0 212.293 0.505 10 0 BCAERO COC(=O)CNC(=O)[C@H]1CCCC[C@@H]1C[NH3+] ZINC000084301968 643655953 /nfs/dbraw/zinc/65/59/53/643655953.db2.gz KMQRTFRGTHNGEL-BDAKNGLRSA-N 1 0 228.292 0.041 10 0 BCAERO COC[C@@H](C)CC(=O)NCC1CC([NH3+])C1 ZINC000087438886 643659028 /nfs/dbraw/zinc/65/90/28/643659028.db2.gz YNNRJSQDFQTRJT-IDKOKCKLSA-N 1 0 214.309 0.513 10 0 BCAERO [NH3+]C1CC(CNC(=O)CC(F)(F)F)C1 ZINC000084447029 643664041 /nfs/dbraw/zinc/66/40/41/643664041.db2.gz GHRAFNJAZJQNGR-UHFFFAOYSA-N 1 0 210.199 0.792 10 0 BCAERO [NH3+]Cc1ccc(C(=O)N[C@H]2CCCNC2=O)cc1 ZINC000050397184 643695317 /nfs/dbraw/zinc/69/53/17/643695317.db2.gz WLBDUCNVXKPBII-NSHDSACASA-N 1 0 247.298 0.154 10 0 BCAERO COC(C[N@@H+]1CCC[C@H]1CCCO)OC ZINC000085351447 643748031 /nfs/dbraw/zinc/74/80/31/643748031.db2.gz KRXBUYYBWWXKLT-JTQLQIEISA-N 1 0 217.309 0.842 10 0 BCAERO CCOc1cc(N(C)C[C@H](C)[NH3+])nc(C)n1 ZINC000085484285 643755230 /nfs/dbraw/zinc/75/52/30/643755230.db2.gz LZUNSCFUQCLUAQ-QMMMGPOBSA-N 1 0 224.308 0.967 10 0 BCAERO C[C@H]1[NH2+]CCC[C@H]1NC(=O)c1ccnn1C ZINC000085727307 643790322 /nfs/dbraw/zinc/79/03/22/643790322.db2.gz QTBHGFZROPOQMM-RKDXNWHRSA-N 1 0 222.292 0.290 10 0 BCAERO C[C@H]1[NH2+]CCC[C@H]1NS(=O)(=O)CC1CC1 ZINC000085727449 643790340 /nfs/dbraw/zinc/79/03/40/643790340.db2.gz RPEIJWIVIHVSGN-PSASIEDQSA-N 1 0 232.349 0.456 10 0 BCAERO C[C@H]1[NH2+]CCC[C@H]1NC(=O)C1CCOCC1 ZINC000085727088 643791270 /nfs/dbraw/zinc/79/12/70/643791270.db2.gz MZWCXEKDOUVBSQ-MWLCHTKSSA-N 1 0 226.320 0.670 10 0 BCAERO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)N1CCCC1 ZINC000085960693 643866059 /nfs/dbraw/zinc/86/60/59/643866059.db2.gz MCOITZKYDQJKLB-UWVGGRQHSA-N 1 0 211.309 0.932 10 0 BCAERO CC(C)CCNC(=O)[C@H](C)[NH2+]C(C)(C)CO ZINC000035188352 643914338 /nfs/dbraw/zinc/91/43/38/643914338.db2.gz RYZGLTWCQUQTOP-JTQLQIEISA-N 1 0 230.352 0.898 10 0 BCAERO NC(=O)[C@]1([NH3+])CCC[C@H]1CCn1ccnc1 ZINC000086547935 644148418 /nfs/dbraw/zinc/14/84/18/644148418.db2.gz DAUUCBGDDDJHMM-ONGXEEELSA-N 1 0 222.292 0.256 10 0 BCAERO COC(=O)[C@@]1([NH3+])CCC[C@H](n2ccnc2)C1 ZINC000086604642 644154922 /nfs/dbraw/zinc/15/49/22/644154922.db2.gz OOSNPHLOMHKRBO-GXSJLCMTSA-N 1 0 223.276 0.869 10 0 BCAERO CC[NH2+][C@@]1(C(N)=O)CC[C@@H](n2ccnc2)C1 ZINC000086626569 644156613 /nfs/dbraw/zinc/15/66/13/644156613.db2.gz YRAYZJDGHIFMQB-KOLCDFICSA-N 1 0 222.292 0.442 10 0 BCAERO Cc1cnn([C@H]2CCC[C@]([NH3+])(C(N)=O)C2)c1 ZINC000086604702 644156654 /nfs/dbraw/zinc/15/66/54/644156654.db2.gz UUXLYHXJYZRJQK-GXSJLCMTSA-N 1 0 222.292 0.489 10 0 BCAERO CCCCCC[C@@H](O)C[NH2+]C[C@@H](O)CO ZINC000199201971 644169552 /nfs/dbraw/zinc/16/95/52/644169552.db2.gz ZLMNJYZNZWVMEJ-GHMZBOCLSA-N 1 0 219.325 0.261 10 0 BCAERO Cc1nnc2c(N[C@H]3CCC[NH2+][C@@H]3C)nccn12 ZINC000229610540 644171497 /nfs/dbraw/zinc/17/14/97/644171497.db2.gz SDAHESMTDYCASA-SCZZXKLOSA-N 1 0 246.318 0.985 10 0 BCAERO CCN(c1nccn2c(C)nnc12)[C@@H]1CC[NH2+]C1 ZINC000079471411 644183735 /nfs/dbraw/zinc/18/37/35/644183735.db2.gz JYFGQJXFNAJEMS-SNVBAGLBSA-N 1 0 246.318 0.621 10 0 BCAERO CCN(c1nccn2c(C)nnc12)[C@H]1CC[NH2+]C1 ZINC000079471415 644183793 /nfs/dbraw/zinc/18/37/93/644183793.db2.gz JYFGQJXFNAJEMS-JTQLQIEISA-N 1 0 246.318 0.621 10 0 BCAERO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)Cc1cnn(C)c1 ZINC000193501018 644247831 /nfs/dbraw/zinc/24/78/31/644247831.db2.gz BWKHQHJKYWWEIG-KOLCDFICSA-N 1 0 236.319 0.219 10 0 BCAERO CN(CC[NH3+])c1nccc(C(F)(F)F)n1 ZINC000081586944 644335748 /nfs/dbraw/zinc/33/57/48/644335748.db2.gz PYOSOQIBVWJAQD-UHFFFAOYSA-N 1 0 220.198 0.890 10 0 BCAERO CC(C)[C@@H]([NH3+])C(=O)N[C@H](C)[C@H]1CCCO1 ZINC000083891299 644411073 /nfs/dbraw/zinc/41/10/73/644411073.db2.gz NMHFVUMHHKEWPM-OPRDCNLKSA-N 1 0 214.309 0.653 10 0 BCAERO CC[C@H]([NH3+])C(=O)N[C@@H](C)[C@H]1CCCO1 ZINC000084199973 644420869 /nfs/dbraw/zinc/42/08/69/644420869.db2.gz YPDGUAKUJKTKRE-XHNCKOQMSA-N 1 0 200.282 0.407 10 0 BCAERO CCc1cc(COC2C[NH2+]C2)n(CC)n1 ZINC000084245404 644421400 /nfs/dbraw/zinc/42/14/00/644421400.db2.gz IQRDOKGFGPSLGO-UHFFFAOYSA-N 1 0 209.293 0.954 10 0 BCAERO COc1cc(N(C)[C@H]2CC[NH2+]C2)ncn1 ZINC000085481344 644440635 /nfs/dbraw/zinc/44/06/35/644440635.db2.gz XAZLEQLMRFVTOM-QMMMGPOBSA-N 1 0 208.265 0.283 10 0 BCAERO C[C@H](NC(=O)C[C@H]1C[NH2+]CCO1)C1CC1 ZINC000085619286 644443036 /nfs/dbraw/zinc/44/30/36/644443036.db2.gz AATDRCTVITXXHO-WPRPVWTQSA-N 1 0 212.293 0.280 10 0 BCAERO O=C(C[C@H]1CSCC[NH2+]1)N[C@@H]1CCCOC1 ZINC000085614436 644443749 /nfs/dbraw/zinc/44/37/49/644443749.db2.gz PGWIMTUCSWKKOO-ZJUUUORDSA-N 1 0 244.360 0.377 10 0 BCAERO CN(C)[C@H](CN[C@@H]1CC[NH2+]C1)c1ccco1 ZINC000086725094 644469324 /nfs/dbraw/zinc/46/93/24/644469324.db2.gz VJDYEUTXNJSGBE-GHMZBOCLSA-N 1 0 223.320 0.834 10 0 BCAERO CS(=O)(=O)[C@H]1CCC[C@H](OC2C[NH2+]C2)C1 ZINC000087118641 644477829 /nfs/dbraw/zinc/47/78/29/644477829.db2.gz TYSVMLINEHSMBB-WPRPVWTQSA-N 1 0 233.333 0.331 10 0 BCAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)Nc1cnn(C)c1 ZINC000087123070 644478080 /nfs/dbraw/zinc/47/80/80/644478080.db2.gz RCMATSKWNWMGHE-WPRPVWTQSA-N 1 0 222.292 0.747 10 0 BCAERO CCCS(=O)(=O)N[C@H]1CC[NH2+]C[C@@H]1F ZINC000685946151 644518004 /nfs/dbraw/zinc/51/80/04/644518004.db2.gz LISXYCCNOGGAAA-YUMQZZPRSA-N 1 0 224.301 0.016 10 0 BCAERO CC[N@@H+]1CCC[C@@H]1CN(C)[C@H]1CCOC1=O ZINC000245477139 644526346 /nfs/dbraw/zinc/52/63/46/644526346.db2.gz UEKDPORPLYVGHL-MNOVXSKESA-N 1 0 226.320 0.718 10 0 BCAERO CC(C)N(C)S(=O)(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000246030528 644559386 /nfs/dbraw/zinc/55/93/86/644559386.db2.gz SCQLQUINCVXVPN-SNVBAGLBSA-N 1 0 249.380 0.207 10 0 BCAERO CCn1nc(C)cc1C(=O)NCC1CC([NH3+])C1 ZINC000090124925 644580797 /nfs/dbraw/zinc/58/07/97/644580797.db2.gz TWRUHFLIPMOYPS-UHFFFAOYSA-N 1 0 236.319 0.679 10 0 BCAERO C[C@H]([NH3+])[C@H](C)C(=O)N(C)C[C@H]1CCCO1 ZINC000248493240 644684195 /nfs/dbraw/zinc/68/41/95/644684195.db2.gz OZOACGWWFKIACK-LPEHRKFASA-N 1 0 214.309 0.607 10 0 BCAERO Cc1n[nH]nc1C(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000248964147 644706064 /nfs/dbraw/zinc/70/60/64/644706064.db2.gz NLIJVMMMTKUXRB-PSASIEDQSA-N 1 0 249.318 0.422 10 0 BCAERO CO[C@H]1CC(=O)N(CN2CCS[C@@H](C)C2)C1 ZINC000249291114 644717822 /nfs/dbraw/zinc/71/78/22/644717822.db2.gz MJRFYQDEBVRVDR-UWVGGRQHSA-N 1 0 244.360 0.629 10 0 BCAERO COC(=O)CC[N@@H+]1C[C@H](C)[C@@H](C(=O)OC)C1 ZINC000094996602 644734909 /nfs/dbraw/zinc/73/49/09/644734909.db2.gz ZRFPBVCFKAVGER-IUCAKERBSA-N 1 0 229.276 0.290 10 0 BCAERO COC[C@H](C)[N@@H+]1C[C@H](C)[C@@H](C(=O)OC)C1 ZINC000094997064 644737424 /nfs/dbraw/zinc/73/74/24/644737424.db2.gz ACHOOYXPOUMPGX-GUBZILKMSA-N 1 0 215.293 0.762 10 0 BCAERO CNC(=O)CCC[N@H+]1C[C@H](C(=O)OC)[C@H](C)C1 ZINC000095019614 644737603 /nfs/dbraw/zinc/73/76/03/644737603.db2.gz HSSWRJKJTUIJHL-ZJUUUORDSA-N 1 0 242.319 0.254 10 0 BCAERO NC(=O)c1ccc(N[C@H]2CCCC[C@H]2C[NH3+])nn1 ZINC000095013530 644738244 /nfs/dbraw/zinc/73/82/44/644738244.db2.gz QYGVHJIDQIFJOU-IUCAKERBSA-N 1 0 249.318 0.505 10 0 BCAERO COC(=O)[C@H]1C[N@H+](Cc2ccnc(N)c2)C[C@H]1C ZINC000095022157 644738707 /nfs/dbraw/zinc/73/87/07/644738707.db2.gz RRBKRRKREPFKES-KOLCDFICSA-N 1 0 249.314 0.905 10 0 BCAERO CCOC(=O)[C@H](C)NC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000250653793 644775231 /nfs/dbraw/zinc/77/52/31/644775231.db2.gz AGDFFRBWHBSWHS-GUBZILKMSA-N 1 0 242.319 0.429 10 0 BCAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C[C@H](O)C1CC1 ZINC000251605479 644812289 /nfs/dbraw/zinc/81/22/89/644812289.db2.gz DGKWKSDWQAVUFU-WXHSDQCUSA-N 1 0 224.348 0.926 10 0 BCAERO CC(C)OC[C@H](O)CN1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000252129093 644837292 /nfs/dbraw/zinc/83/72/92/644837292.db2.gz KMQZFELZPCJJOS-XQQFMLRXSA-N 1 0 244.379 0.832 10 0 BCAERO N[C@H](C[NH3+])c1nc(N2CCCCC2)no1 ZINC000757121506 644863594 /nfs/dbraw/zinc/86/35/94/644863594.db2.gz PJPKWICGZYFQPV-SSDOTTSWSA-N 1 0 211.269 0.018 10 0 BCAERO [NH3+][C@H](CC1CC1)C(=O)N[C@H]1CCC[C@@H](O)C1 ZINC000304386130 644898883 /nfs/dbraw/zinc/89/88/83/644898883.db2.gz RRYRCTMKGNRJGW-HBNTYKKESA-N 1 0 226.320 0.534 10 0 BCAERO CC(C)OC(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000253172192 644941541 /nfs/dbraw/zinc/94/15/41/644941541.db2.gz JRGYTCYASRVPKC-WDEREUQCSA-N 1 0 242.319 0.984 10 0 BCAERO CC(C)(C)OC(=O)N1CC[C@]([NH3+])(CC(N)=O)C1 ZINC000211415597 645837681 /nfs/dbraw/zinc/83/76/81/645837681.db2.gz OCMVFJQRTFQNAG-NSHDSACASA-N 1 0 243.307 0.200 10 0 BCAERO CCCNC(=O)[C@@H](C)[NH2+]C(C)(C)CO ZINC000035115072 645935276 /nfs/dbraw/zinc/93/52/76/645935276.db2.gz GJLCUKAHGHWLIQ-MRVPVSSYSA-N 1 0 202.298 0.262 10 0 BCAERO CC(C)(F)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000308999066 711659700 /nfs/dbraw/zinc/65/97/00/711659700.db2.gz QUDPWZMRTZYRFX-XHNCKOQMSA-N 1 0 214.284 0.930 10 0 BCAERO CCN1CCC[C@@H]([NH2+][C@@H]2CCCC[C@H]2O)C1=O ZINC000722350498 711743753 /nfs/dbraw/zinc/74/37/53/711743753.db2.gz FOGJDZVUYSPRJT-IJLUTSLNSA-N 1 0 240.347 0.890 10 0 BCAERO CC[C@H](C)[C@@H](C)[NH2+][C@@H]1CS(=O)(=O)C[C@H]1O ZINC000700570321 711998780 /nfs/dbraw/zinc/99/87/80/711998780.db2.gz WUBXSVZWNHXGEP-SGIHWFKDSA-N 1 0 235.349 0.169 10 0 BCAERO C[C@H]1CCC[C@@H]([NH2+][C@@H]2CS(=O)(=O)C[C@H]2O)C1 ZINC000700604164 712001208 /nfs/dbraw/zinc/00/12/08/712001208.db2.gz RJXUWCNWEYAUNA-LNFKQOIKSA-N 1 0 247.360 0.313 10 0 BCAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)c1cccnc1F ZINC000701052064 712013733 /nfs/dbraw/zinc/01/37/33/712013733.db2.gz ACGXDKBICIBUID-VXNVDRBHSA-N 1 0 223.251 0.782 10 0 BCAERO [NH3+]C[C@H]1CCCN1C(=O)c1cccnc1F ZINC000701056214 712014025 /nfs/dbraw/zinc/01/40/25/712014025.db2.gz RERQVKSXFGHXHV-MRVPVSSYSA-N 1 0 223.251 0.784 10 0 BCAERO Cc1cc(OCC(=O)N2CC[C@@H]([NH3+])[C@@H]2C)no1 ZINC000701390652 712022277 /nfs/dbraw/zinc/02/22/77/712022277.db2.gz JGVIBOLZMMWQHY-DTWKUNHWSA-N 1 0 239.275 0.310 10 0 BCAERO C[NH2+]CCOCCN(C)c1nccc(C)n1 ZINC000706623002 712151427 /nfs/dbraw/zinc/15/14/27/712151427.db2.gz WWHKMCPSQKALNX-UHFFFAOYSA-N 1 0 224.308 0.457 10 0 BCAERO O[C@@H]1COCC[C@@H]1[NH2+]C[C@@H]1CCC=CO1 ZINC000706711848 712152399 /nfs/dbraw/zinc/15/23/99/712152399.db2.gz AVLPNTQIPUFFBB-GARJFASQSA-N 1 0 213.277 0.419 10 0 BCAERO O[C@@H]1COCC[C@@H]1[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000706755805 712154074 /nfs/dbraw/zinc/15/40/74/712154074.db2.gz IWOPOGSSFBQHMI-WTPMCQDGSA-N 1 0 211.305 0.914 10 0 BCAERO O[C@H]1COCC[C@H]1[NH2+]CC1(O)CCCCC1 ZINC000706922211 712161182 /nfs/dbraw/zinc/16/11/82/712161182.db2.gz OXFHUMMDCPKKJU-MNOVXSKESA-N 1 0 229.320 0.421 10 0 BCAERO C[N@H+](C[C@H]1CCC[C@@H](O)C1)[C@@H]1COC[C@H]1O ZINC000709645889 712214848 /nfs/dbraw/zinc/21/48/48/712214848.db2.gz FERMDEQWPXRFFI-IRCOFANPSA-N 1 0 229.320 0.229 10 0 BCAERO C[C@H]1OCC[C@H]1[NH2+]C[C@H]1CC2(CC2)C(=O)O1 ZINC000378675374 712357109 /nfs/dbraw/zinc/35/71/09/712357109.db2.gz OHYDNLQJXQZCQC-OPRDCNLKSA-N 1 0 225.288 0.849 10 0 BCAERO CC(C)OC[C@H](O)CN1CC[NH2+][C@H](C)[C@@H]1C ZINC000379496060 712386088 /nfs/dbraw/zinc/38/60/88/712386088.db2.gz QPNGUTWVSBBQCJ-GRYCIOLGSA-N 1 0 230.352 0.455 10 0 BCAERO [NH3+]C[C@H]1C[C@H](C(=O)NCc2ccsc2)CO1 ZINC000713901806 712472731 /nfs/dbraw/zinc/47/27/31/712472731.db2.gz LUWFNZHJSIPCJY-VHSXEESVSA-N 1 0 240.328 0.728 10 0 BCAERO CC(C)N(C)C(=O)[C@H]1CO[C@H](C[NH3+])C1 ZINC000713861860 712473248 /nfs/dbraw/zinc/47/32/48/712473248.db2.gz WRNOXIRRDLLVOJ-BDAKNGLRSA-N 1 0 200.282 0.217 10 0 BCAERO C[C@H](NC(=O)[C@H]1CO[C@H](C[NH3+])C1)C1CC1 ZINC000713861627 712473255 /nfs/dbraw/zinc/47/32/55/712473255.db2.gz VPHZFHCWZDSWKA-SFGNSQDASA-N 1 0 212.293 0.265 10 0 BCAERO COCC1CC(NC(=O)C[C@H]2CCC[NH2+]2)C1 ZINC000713934604 712473813 /nfs/dbraw/zinc/47/38/13/712473813.db2.gz GAFLYSKAAJKIJX-HSOILSAZSA-N 1 0 226.320 0.670 10 0 BCAERO COC(=O)c1cncc(NCC2CC([NH3+])C2)n1 ZINC000715095682 712508544 /nfs/dbraw/zinc/50/85/44/712508544.db2.gz DOHUSJCRSJMREH-UHFFFAOYSA-N 1 0 236.275 0.412 10 0 BCAERO COc1cc(NC[C@H]2C[C@@H]([NH3+])C2)ncn1 ZINC000715121696 712510554 /nfs/dbraw/zinc/51/05/54/712510554.db2.gz DQRQTBMGFQVEMS-OCAPTIKFSA-N 1 0 208.265 0.634 10 0 BCAERO C[C@H]1CN(C(=O)[C@@H]2C[C@@H]2C[NH3+])C[C@H](C)O1 ZINC000715215642 712513682 /nfs/dbraw/zinc/51/36/82/712513682.db2.gz BMEKQWWWUGSPOI-AXTSPUMRSA-N 1 0 212.293 0.217 10 0 BCAERO C[C@H](NC(=O)[C@@H]1C[C@@H]1C[NH3+])[C@H]1CCCO1 ZINC000715229616 712514144 /nfs/dbraw/zinc/51/41/44/712514144.db2.gz XXCIEIYEPSAKOF-SGIHWFKDSA-N 1 0 212.293 0.265 10 0 BCAERO [NH3+][C@@H]1CC[C@H](C(=O)N2C[C@H]3[C@@H](C2)C3(F)F)C1 ZINC000715502844 712523710 /nfs/dbraw/zinc/52/37/10/712523710.db2.gz XNYPWZXBAYKSFS-UYXSQOIJSA-N 1 0 230.258 0.837 10 0 BCAERO COC1CC([NH2+][C@@H](C)c2cn(C)nn2)C1 ZINC000715838955 712535280 /nfs/dbraw/zinc/53/52/80/712535280.db2.gz BUQQEMGSUJISRN-UEJVZZJDSA-N 1 0 210.281 0.643 10 0 BCAERO CC[N@@H+]1CCC[C@H](N[C@H](C)c2cn(C)nn2)C1 ZINC000715896299 712540583 /nfs/dbraw/zinc/54/05/83/712540583.db2.gz YWJCTSUWFLKPJV-MNOVXSKESA-N 1 0 237.351 0.950 10 0 BCAERO C[NH2+][C@H](C)C(=O)NCC[C@@H]1CCCS1 ZINC000716044286 712548157 /nfs/dbraw/zinc/54/81/57/712548157.db2.gz KRGIUTZQIPEKTD-BDAKNGLRSA-N 1 0 216.350 0.996 10 0 BCAERO NC(=O)C1CC([NH2+][C@H]2CCn3ccnc32)C1 ZINC000716684034 712570099 /nfs/dbraw/zinc/57/00/99/712570099.db2.gz OXHRYWXVCVWXLQ-HACHORDNSA-N 1 0 220.276 0.181 10 0 BCAERO CCON1CCC([NH2+]C2CC(C(N)=O)C2)CC1 ZINC000716688477 712570449 /nfs/dbraw/zinc/57/04/49/712570449.db2.gz XIGWJGPNYLDQGK-UHFFFAOYSA-N 1 0 241.335 0.256 10 0 BCAERO C[C@@H]([NH2+]C1CC(C(N)=O)C1)c1ccnn1C ZINC000716755881 712572524 /nfs/dbraw/zinc/57/25/24/712572524.db2.gz UKUNWCQMWQFYAS-AFPNSQJFSA-N 1 0 222.292 0.335 10 0 BCAERO NC(=O)C1CC([NH2+]CC[C@@H]2CCOC2)C1 ZINC000716745132 712572000 /nfs/dbraw/zinc/57/20/00/712572000.db2.gz JNONXGPPPOATJO-XNWIYYODSA-N 1 0 212.293 0.267 10 0 BCAERO C[C@@H]1C[C@H]([NH2+]C2CC(C(N)=O)C2)CCO1 ZINC000716741552 712572022 /nfs/dbraw/zinc/57/20/22/712572022.db2.gz RYSYJYSISJDBSH-PRWFHZCQSA-N 1 0 212.293 0.407 10 0 BCAERO CCC(CC)(C[NH3+])C(=O)NC1CC(C(N)=O)C1 ZINC000716740331 712572057 /nfs/dbraw/zinc/57/20/57/712572057.db2.gz JKNCKRACRZRALT-UHFFFAOYSA-N 1 0 241.335 0.132 10 0 BCAERO C[C@@H](O)[C@@H](O)C[NH2+]CCc1ccccc1 ZINC000717418455 712657077 /nfs/dbraw/zinc/65/70/77/712657077.db2.gz FTUSBVLGVCSECR-PWSUYJOCSA-N 1 0 209.289 0.560 10 0 BCAERO C[C@H]1CN(C(=O)COC2CC2)C[C@@H]1C[NH3+] ZINC000717671368 712663885 /nfs/dbraw/zinc/66/38/85/712663885.db2.gz HQZNFWGHDVYMIH-IUCAKERBSA-N 1 0 212.293 0.219 10 0 BCAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)COC1CC1 ZINC000717664502 712663676 /nfs/dbraw/zinc/66/36/76/712663676.db2.gz IAWARCMVWKOGLT-WCBMZHEXSA-N 1 0 212.293 0.422 10 0 BCAERO C[C@@H]1CN(C(=O)[C@@H]2C[C@H](C)CO2)C[C@H]1[NH3+] ZINC000718474827 712764758 /nfs/dbraw/zinc/76/47/58/712764758.db2.gz GDLCREFHEPBOQO-JLIMGVALSA-N 1 0 212.293 0.217 10 0 BCAERO C[C@@H]1CO[C@H](C(=O)N2C[C@H](C)[C@H]([NH3+])C2)C1 ZINC000718474832 712765078 /nfs/dbraw/zinc/76/50/78/712765078.db2.gz GDLCREFHEPBOQO-QEYWKRMJSA-N 1 0 212.293 0.217 10 0 BCAERO CC(C)[C@H](C)NC(=O)c1c(C[NH3+])cnn1C ZINC000719263904 712802174 /nfs/dbraw/zinc/80/21/74/712802174.db2.gz UENSHQOUWXJING-QMMMGPOBSA-N 1 0 224.308 0.653 10 0 BCAERO CCCCOC[C@H](O)C[NH2+][C@@H]1CCN(C)[C@@H]1C ZINC000719608624 712816279 /nfs/dbraw/zinc/81/62/79/712816279.db2.gz GGXLZAYAXSCUOP-JHJVBQTASA-N 1 0 244.379 0.846 10 0 BCAERO CN(CC[N@H+](C)CCO)Cc1ccon1 ZINC000720348854 712832380 /nfs/dbraw/zinc/83/23/80/712832380.db2.gz AAJFDVPIAAPYQE-UHFFFAOYSA-N 1 0 213.281 0.031 10 0 BCAERO C[NH2+]CCN(c1ccc(C(N)=O)nn1)C(C)C ZINC000720790888 712865939 /nfs/dbraw/zinc/86/59/39/712865939.db2.gz ICZKAHFVQWLCJB-UHFFFAOYSA-N 1 0 237.307 0.010 10 0 BCAERO CO[C@@](C)(C[NH2+]CCn1cncn1)C1CC1 ZINC000380971615 710595138 /nfs/dbraw/zinc/59/51/38/710595138.db2.gz AQRLJIYTVLWKHP-NSHDSACASA-N 1 0 224.308 0.683 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1CC(=O)N[C@H]1CCC[C@H](O)C1 ZINC000722510456 710714304 /nfs/dbraw/zinc/71/43/04/710714304.db2.gz DEXMQMFADLUBHU-WYUUTHIRSA-N 1 0 240.347 0.652 10 0 BCAERO [NH3+]CC12CCC(CC1)N2c1ncccn1 ZINC000722988517 710723743 /nfs/dbraw/zinc/72/37/43/710723743.db2.gz ZLMOYOYDWHRPNN-UHFFFAOYSA-N 1 0 204.277 0.937 10 0 BCAERO CC1(C)CC(CN2CCOC[C@]2(C[NH3+])CO)C1 ZINC000723563480 710728053 /nfs/dbraw/zinc/72/80/53/710728053.db2.gz QKAPXBZDOWCEEG-ZDUSSCGKSA-N 1 0 242.363 0.445 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1CNc1nccn2cnnc12 ZINC000723785835 710731989 /nfs/dbraw/zinc/73/19/89/710731989.db2.gz OESVFMJMPVOQLR-BDAKNGLRSA-N 1 0 232.291 0.392 10 0 BCAERO CO[C@@H]1CCOC[C@H]1[NH2+]C[C@@H](O)C(C)(C)C ZINC000724891622 710747746 /nfs/dbraw/zinc/74/77/46/710747746.db2.gz OLEYXIRJGLWATI-GMTAPVOTSA-N 1 0 231.336 0.787 10 0 BCAERO CO[C@@H]1CCOC[C@H]1[NH2+][C@@H]1CCC[C@H]1O ZINC000724890328 710748234 /nfs/dbraw/zinc/74/82/34/710748234.db2.gz WUTATKSSUHSNFX-GWOFURMSSA-N 1 0 215.293 0.293 10 0 BCAERO CN(Cc1cnn(C)n1)[C@H]1CCC[NH2+]CC1 ZINC000381154376 710605522 /nfs/dbraw/zinc/60/55/22/710605522.db2.gz PTAZUCGKWWMBFO-NSHDSACASA-N 1 0 223.324 0.389 10 0 BCAERO COC[C@@H](C[N@@H+]1CCO[C@@H](CO)C1)C(C)C ZINC000721972248 710695659 /nfs/dbraw/zinc/69/56/59/710695659.db2.gz IGSIPPYOPWCEAR-VXGBXAGGSA-N 1 0 231.336 0.598 10 0 BCAERO C[C@@H]1[C@@H]([NH2+]C[C@H]2CC(=O)N(C)C2)CO[C@H]1C ZINC000722754653 711469988 /nfs/dbraw/zinc/46/99/88/711469988.db2.gz UEEDKTFSPIRRSJ-MMWGEVLESA-N 1 0 226.320 0.478 10 0 BCAERO CN1C[C@@H](C[NH2+]C[C@@H]2CCCOC2)CC1=O ZINC000722745950 711470150 /nfs/dbraw/zinc/47/01/50/711470150.db2.gz HPNMWSHAYNOGGY-WDEREUQCSA-N 1 0 226.320 0.481 10 0 BCAERO CN1C[C@H](C[NH2+]C[C@@H]2CCC=CO2)CC1=O ZINC000722750592 711470206 /nfs/dbraw/zinc/47/02/06/711470206.db2.gz UUZDWVDXYMBEJP-QWRGUYRKSA-N 1 0 224.304 0.747 10 0 BCAERO Nc1ccc([C@H]2CCNC3=[NH+]CCN32)cc1 ZINC000236394743 711493797 /nfs/dbraw/zinc/49/37/97/711493797.db2.gz APKCCHNDFQUYKQ-LLVKDONJSA-N 1 0 216.288 0.975 10 0 BCAERO [NH3+]CC12CCC(CC1)N2c1nccn2cnnc12 ZINC000722985887 711493837 /nfs/dbraw/zinc/49/38/37/711493837.db2.gz HBZCQEPTQFPGQV-UHFFFAOYSA-N 1 0 244.302 0.584 10 0 BCAERO C[C@@H]1CN(c2ncccn2)C[C@H]1CC[NH3+] ZINC000723881617 711543517 /nfs/dbraw/zinc/54/35/17/711543517.db2.gz BRQCQNCRWADZLZ-NXEZZACHSA-N 1 0 206.293 0.898 10 0 BCAERO Cc1cn(C)nc1C[NH2+][C@H]1CCC(=O)N[C@H]1C ZINC000723936596 711545423 /nfs/dbraw/zinc/54/54/23/711545423.db2.gz XSFCAKUXFVDQPB-UWVGGRQHSA-N 1 0 236.319 0.485 10 0 BCAERO Cc1cn(C)nc1C[N@@H+]1CC[C@@H](CCO)C1 ZINC000723996822 711552566 /nfs/dbraw/zinc/55/25/66/711552566.db2.gz PSUIOMLTFORYQD-NSHDSACASA-N 1 0 223.320 0.933 10 0 BCAERO Cc1cn(C)nc1C[N@H+]1C[C@@H](C)[C@H](CO)C1 ZINC000724009653 711555094 /nfs/dbraw/zinc/55/50/94/711555094.db2.gz DNGABZLFFDDRLR-KOLCDFICSA-N 1 0 223.320 0.789 10 0 BCAERO CC(C)OC[C@H](O)CN1CC[NH2+]C[C@@H]1C ZINC000134847163 711567066 /nfs/dbraw/zinc/56/70/66/711567066.db2.gz HZMDTICQPLVDGL-WDEREUQCSA-N 1 0 216.325 0.066 10 0 BCAERO O[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000724541632 711587182 /nfs/dbraw/zinc/58/71/82/711587182.db2.gz FXHDVCCENVVPPK-MLGHIDQZSA-N 1 0 241.331 0.683 10 0 BCAERO C[C@@H]1C[N@H+](C[C@@H]2C[C@@H]3COC[C@H]3O2)C[C@H]1CO ZINC000724621747 711600420 /nfs/dbraw/zinc/60/04/20/711600420.db2.gz XJHQKHULGFOXDA-NAWOPXAZSA-N 1 0 241.331 0.351 10 0 BCAERO C[C@H](c1nc([C@@H](C)C[NH3+])no1)n1cccn1 ZINC000721363551 711613696 /nfs/dbraw/zinc/61/36/96/711613696.db2.gz HEANZBMVNVZWES-JGVFFNPUSA-N 1 0 221.264 0.938 10 0 BCAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]CCO[C@@H]1CCOC1 ZINC000724987113 711640704 /nfs/dbraw/zinc/64/07/04/711640704.db2.gz PWZLKITYVJSTER-AXFHLTTASA-N 1 0 242.319 0.049 10 0 BCAERO CC(=O)CC[N@@H+]1CCC[C@H](NC(C)=O)C1 ZINC000125160874 711718767 /nfs/dbraw/zinc/71/87/67/711718767.db2.gz QKLNYPRNSQCACE-NSHDSACASA-N 1 0 212.293 0.566 10 0 BCAERO C[C@@H]1CN(C)C(=O)CN1C[C@H]1CCC[NH2+]C1 ZINC000257767206 711727873 /nfs/dbraw/zinc/72/78/73/711727873.db2.gz AAJLEIKBENOTTM-MNOVXSKESA-N 1 0 225.336 0.149 10 0 BCAERO C[C@H](N[C@@H]1C[N@H+](C)C[C@@H]1C)c1cn(C)nn1 ZINC000722255117 711731614 /nfs/dbraw/zinc/73/16/14/711731614.db2.gz XPHCYJNQNXGJDD-LPEHRKFASA-N 1 0 223.324 0.416 10 0 BCAERO COC[C@H](C)C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000186824440 711738463 /nfs/dbraw/zinc/73/84/63/711738463.db2.gz KBLDKIICRGLWLS-UTLUCORTSA-N 1 0 214.309 0.383 10 0 BCAERO CCN1CCC[C@@H]([NH2+]CC(C)(C)O)C1=O ZINC000722350379 711743631 /nfs/dbraw/zinc/74/36/31/711743631.db2.gz WSCJVZXWAMJZGD-SECBINFHSA-N 1 0 214.309 0.358 10 0 BCAERO c1cnn(Cc2nc(C[C@@H]3CCC[NH2+]C3)no2)c1 ZINC000225430033 711756471 /nfs/dbraw/zinc/75/64/71/711756471.db2.gz YZQYGDDTZHJJJP-JTQLQIEISA-N 1 0 247.302 0.857 10 0 BCAERO COc1cc(OC)nc(N[C@@H]2C[NH2+]C[C@H]2C)n1 ZINC000721858705 711791705 /nfs/dbraw/zinc/79/17/05/711791705.db2.gz RFYCWZUUCYRJHR-HTQZYQBOSA-N 1 0 238.291 0.514 10 0 BCAERO CC(C)N(C(=O)CN1C[C@@H](C)[C@@H]([NH3+])C1)C(C)C ZINC000232641166 711840964 /nfs/dbraw/zinc/84/09/64/711840964.db2.gz RJGFMMLONILRMW-NEPJUHHUSA-N 1 0 241.379 0.911 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1Nc1cnn(C)c(=O)c1Cl ZINC000721980253 711856389 /nfs/dbraw/zinc/85/63/89/711856389.db2.gz CXTXFKMDEMLISG-RNFRBKRXSA-N 1 0 242.710 0.454 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)COCC1CC1 ZINC000238029645 711886758 /nfs/dbraw/zinc/88/67/58/711886758.db2.gz MJMZBWAJJOATRI-WDEREUQCSA-N 1 0 226.320 0.657 10 0 BCAERO CC1(c2noc([C@@H]3C[NH2+]CCOC3)n2)CC1 ZINC000700377297 711990314 /nfs/dbraw/zinc/99/03/14/711990314.db2.gz LGJFWRSSDLELID-MRVPVSSYSA-N 1 0 223.276 0.825 10 0 BCAERO CCCc1noc([C@H]2C[NH2+]CCOC2)n1 ZINC000700376733 711990573 /nfs/dbraw/zinc/99/05/73/711990573.db2.gz HMUVIGQHFFZMED-QMMMGPOBSA-N 1 0 211.265 0.726 10 0 BCAERO COCCN(CCF)C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000700406973 711991926 /nfs/dbraw/zinc/99/19/26/711991926.db2.gz FKDGJMYMXIWREF-NSHDSACASA-N 1 0 246.326 0.821 10 0 BCAERO c1ccc(-c2noc([C@@H]3C[NH2+]CCOC3)n2)nc1 ZINC000700451173 711995001 /nfs/dbraw/zinc/99/50/01/711995001.db2.gz JLNMUWQGHSZNBN-SECBINFHSA-N 1 0 246.270 0.835 10 0 BCAERO C[C@H]1CCC[C@H]([NH2+][C@@H]2CS(=O)(=O)C[C@H]2O)C1 ZINC000700604165 712001369 /nfs/dbraw/zinc/00/13/69/712001369.db2.gz RJXUWCNWEYAUNA-UKKRHICBSA-N 1 0 247.360 0.313 10 0 BCAERO C[C@H](C[NH3+])CNC(=O)[C@@H]1Cc2ccccc2CO1 ZINC000700659198 712001751 /nfs/dbraw/zinc/00/17/51/712001751.db2.gz CATRDVRVPSYGNP-MFKMUULPSA-N 1 0 248.326 0.839 10 0 BCAERO [NH3+][C@H]1CCN(C(=O)[C@@H]2Cc3ccccc3CO2)C1 ZINC000700661914 712002005 /nfs/dbraw/zinc/00/20/05/712002005.db2.gz HXKTZLHGZHOQOF-STQMWFEESA-N 1 0 246.310 0.688 10 0 BCAERO C[NH2+][C@@H](C)CNC(=O)[C@@H]1Cc2ccccc2CO1 ZINC000700658089 712002095 /nfs/dbraw/zinc/00/20/95/712002095.db2.gz WSBUOWKCTMNPHE-GWCFXTLKSA-N 1 0 248.326 0.852 10 0 BCAERO C[NH2+]CCNC(=O)[C@@H]1Cc2ccccc2CO1 ZINC000700711851 712003599 /nfs/dbraw/zinc/00/35/99/712003599.db2.gz XNYIMSNFUHKCJD-LBPRGKRZSA-N 1 0 234.299 0.464 10 0 BCAERO O=C(NCC1C[NH2+]C1)[C@@H]1Cc2ccccc2CO1 ZINC000700683569 712003680 /nfs/dbraw/zinc/00/36/80/712003680.db2.gz DIMZXRFDDKBPCV-ZDUSSCGKSA-N 1 0 246.310 0.464 10 0 BCAERO COC1(C(=O)NC[C@H]2CC[NH2+]C2)CCCC1 ZINC000700923790 712010373 /nfs/dbraw/zinc/01/03/73/712010373.db2.gz NUCIVHNMMPQDLQ-JTQLQIEISA-N 1 0 226.320 0.671 10 0 BCAERO C[NH2+][C@@H](C)CNC(=O)c1cccnc1F ZINC000701051110 712012953 /nfs/dbraw/zinc/01/29/53/712012953.db2.gz MNUDXOWIQRANQS-ZETCQYMHSA-N 1 0 211.240 0.558 10 0 BCAERO C[C@@H]1CN(C(=O)c2cccc(F)n2)C[C@H]1[NH3+] ZINC000701081482 712015170 /nfs/dbraw/zinc/01/51/70/712015170.db2.gz WJXUHUGBGLFCPW-HTQZYQBOSA-N 1 0 223.251 0.640 10 0 BCAERO CC(C)(CO)[NH2+]CCOC1CCOCC1 ZINC000701376285 712021507 /nfs/dbraw/zinc/02/15/07/712021507.db2.gz FBQIYINXOLMBLX-UHFFFAOYSA-N 1 0 217.309 0.543 10 0 BCAERO Cn1cc(/C=C\C(=O)N2CCC[C@H]([NH3+])C2)cn1 ZINC000701380116 712021518 /nfs/dbraw/zinc/02/15/18/712021518.db2.gz TWIFYINAVVHXPX-WYGGZMRJSA-N 1 0 234.303 0.383 10 0 BCAERO C[NH+](C)C[C@H](N)C(=O)N[C@@H]1COc2ccccc21 ZINC000702343603 712046068 /nfs/dbraw/zinc/04/60/68/712046068.db2.gz ZGHDASDTDWWBHB-WDEREUQCSA-N 1 0 249.314 0.125 10 0 BCAERO O[C@H]1C[NH2+]C[C@H]1CNc1cncc(Cl)n1 ZINC000702831014 712061387 /nfs/dbraw/zinc/06/13/87/712061387.db2.gz LXLGEHWQGAYHFA-BQBZGAKWSA-N 1 0 228.683 0.122 10 0 BCAERO CC[C@](C)(O)C[NH2+][C@H]1COCCC1(OC)OC ZINC000705011217 712121479 /nfs/dbraw/zinc/12/14/79/712121479.db2.gz MMMNMQFGPIHEOF-QWRGUYRKSA-N 1 0 247.335 0.515 10 0 BCAERO C[C@H]1COC[C@@H]1[NH2+]CC1(O)CCSCC1 ZINC000705247794 712126315 /nfs/dbraw/zinc/12/63/15/712126315.db2.gz UMNNMPPQHGHSOL-UWVGGRQHSA-N 1 0 231.361 0.869 10 0 BCAERO O[C@@H]1COCC[C@@H]1[NH2+][C@H]1CCCc2n[nH]cc21 ZINC000706739043 712153518 /nfs/dbraw/zinc/15/35/18/712153518.db2.gz WOUXZJWCIJJWSS-ZMLRMANQSA-N 1 0 237.303 0.527 10 0 BCAERO Cn1c(Cl)cnc1C[NH2+][C@H]1CCOC[C@H]1O ZINC000706766732 712154693 /nfs/dbraw/zinc/15/46/93/712154693.db2.gz UVMLXFXUSRXQFD-JGVFFNPUSA-N 1 0 245.710 0.313 10 0 BCAERO Cc1csc(C[NH2+][C@H]2CCOC[C@H]2O)n1 ZINC000706790748 712155352 /nfs/dbraw/zinc/15/53/52/712155352.db2.gz HHFIDINIKLJCNR-DTWKUNHWSA-N 1 0 228.317 0.691 10 0 BCAERO COc1cncc(C[NH2+][C@H]2CCOC[C@H]2O)c1 ZINC000706775907 712155512 /nfs/dbraw/zinc/15/55/12/712155512.db2.gz YXCQEXUAOYLWKK-NWDGAFQWSA-N 1 0 238.287 0.330 10 0 BCAERO CSC1CC([NH2+]CCn2cncn2)C1 ZINC000706919979 712158369 /nfs/dbraw/zinc/15/83/69/712158369.db2.gz UAWAGYRRMSNAFA-UHFFFAOYSA-N 1 0 212.322 0.762 10 0 BCAERO O[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc(Cl)cn1 ZINC000706932901 712161786 /nfs/dbraw/zinc/16/17/86/712161786.db2.gz BQBARSRYSXDIJB-WDEREUQCSA-N 1 0 242.706 0.974 10 0 BCAERO CN(CCn1cccn1)C(=O)C1CC([NH3+])C1 ZINC000707364122 712169500 /nfs/dbraw/zinc/16/95/00/712169500.db2.gz PGHXPDKHPDLUNC-UHFFFAOYSA-N 1 0 222.292 0.079 10 0 BCAERO CC[NH2+][C@H](C)C(=O)NC[C@@H](O)C(F)(F)F ZINC000707958545 712173850 /nfs/dbraw/zinc/17/38/50/712173850.db2.gz NIFWLKJOIRIEPO-PHDIDXHHSA-N 1 0 228.214 0.024 10 0 BCAERO COCCN(CCF)C(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000707565687 712175526 /nfs/dbraw/zinc/17/55/26/712175526.db2.gz YSPRVOXYCOWLLV-DTWKUNHWSA-N 1 0 236.262 0.131 10 0 BCAERO C[C@H]1CN(c2ncnc3c2CCC3)C[C@@H]1C[NH3+] ZINC000708840020 712200492 /nfs/dbraw/zinc/20/04/92/712200492.db2.gz SJNNWOALXLJAOI-UWVGGRQHSA-N 1 0 232.331 0.996 10 0 BCAERO C[C@@H]1CN(C(=O)C(F)(F)C(F)F)C[C@H]1C[NH3+] ZINC000708841624 712200687 /nfs/dbraw/zinc/20/06/87/712200687.db2.gz CBIWIHYNKJSREO-PHDIDXHHSA-N 1 0 242.216 0.940 10 0 BCAERO C[C@@H]1CN(C(=O)/C=C/c2cnn(C)c2)C[C@@H]1C[NH3+] ZINC000708893806 712202713 /nfs/dbraw/zinc/20/27/13/712202713.db2.gz NVBNSOZNOIYADN-YGEYTSGZSA-N 1 0 248.330 0.487 10 0 BCAERO CCC[C@H]1CN(C(=O)C2CC([NH3+])C2)CCO1 ZINC000708952215 712204386 /nfs/dbraw/zinc/20/43/86/712204386.db2.gz KSJYABHSCROTGK-ILDUYXDCSA-N 1 0 226.320 0.751 10 0 BCAERO CC(C)OC[C@@H](O)CN1CCCCC[C@@H]([NH3+])C1 ZINC000709017029 712205811 /nfs/dbraw/zinc/20/58/11/712205811.db2.gz VBBMVPWUEXTGQZ-OLZOCXBDSA-N 1 0 244.379 0.976 10 0 BCAERO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(c1ncccn1)C2 ZINC000709793786 712227443 /nfs/dbraw/zinc/22/74/43/712227443.db2.gz KZZZZNQBBOWGIN-AEJSXWLSSA-N 1 0 204.277 0.793 10 0 BCAERO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(c1ccc3nncn3n1)C2 ZINC000709822706 712228709 /nfs/dbraw/zinc/22/87/09/712228709.db2.gz ILPBCCZCDPKJAB-GUBZILKMSA-N 1 0 244.302 0.440 10 0 BCAERO C[C@H]([NH2+]CCn1cncn1)c1cn(C)cn1 ZINC000710007302 712239360 /nfs/dbraw/zinc/23/93/60/712239360.db2.gz PSMZFUZDRPPODG-VIFPVBQESA-N 1 0 220.280 0.362 10 0 BCAERO CC1(O)CCC([NH2+][C@@H]2COCC[C@H]2O)CC1 ZINC000710940835 712266530 /nfs/dbraw/zinc/26/65/30/712266530.db2.gz LPVBKKAWRSPQDR-BFUDSRACSA-N 1 0 229.320 0.419 10 0 BCAERO COC1(OC)CC[C@H]1[NH2+]CCn1cc(C)cn1 ZINC000710952034 712267097 /nfs/dbraw/zinc/26/70/97/712267097.db2.gz HJWNAZUBHYZTQY-LLVKDONJSA-N 1 0 239.319 0.933 10 0 BCAERO CN(C[C@H]1CCCO1)C(=O)[C@H]1C[NH2+]CC1(C)C ZINC000711347357 712294965 /nfs/dbraw/zinc/29/49/65/712294965.db2.gz UZMHXUSLFNJOOF-GHMZBOCLSA-N 1 0 240.347 0.869 10 0 BCAERO O[C@H]1COCC[C@H]1[NH2+]Cc1nccn1C1CC1 ZINC000711793867 712331164 /nfs/dbraw/zinc/33/11/64/712331164.db2.gz HBKZSKQDKVUDSE-MNOVXSKESA-N 1 0 237.303 0.457 10 0 BCAERO C[C@H]1CN(Cc2nccn2C2CC2)C[C@H]1[NH3+] ZINC000711803868 712332022 /nfs/dbraw/zinc/33/20/22/712332022.db2.gz WKVGWPSMQWWKDR-GXSJLCMTSA-N 1 0 220.320 0.997 10 0 BCAERO COC(C)(C)[C@@H](C)[NH2+]C[C@@H]1CNC(=O)O1 ZINC000378770777 712360325 /nfs/dbraw/zinc/36/03/25/712360325.db2.gz FTDWGNDKLOCCMX-HTQZYQBOSA-N 1 0 216.281 0.498 10 0 BCAERO CC(C)CC(=O)N1C[C@@H](F)C[C@H]1C[NH3+] ZINC000378791380 712392968 /nfs/dbraw/zinc/39/29/68/712392968.db2.gz NRYSBXAKMSSULH-IUCAKERBSA-N 1 0 202.273 0.930 10 0 BCAERO CCCCOC[C@@H](O)C[NH2+]C[C@@H]1CCN1CC ZINC000712581461 712433675 /nfs/dbraw/zinc/43/36/75/712433675.db2.gz VIRPYTWZJXBSAX-STQMWFEESA-N 1 0 244.379 0.848 10 0 BCAERO CN1CC[C@@H]1C[NH2+]C[C@@H](O)C(C)(C)C ZINC000712616284 712438776 /nfs/dbraw/zinc/43/87/76/712438776.db2.gz QNCWZVNURKMEPX-NXEZZACHSA-N 1 0 200.326 0.687 10 0 BCAERO CCCCOC[C@@H](O)C[NH2+]C[C@@H]1CCN1C ZINC000712565834 712446490 /nfs/dbraw/zinc/44/64/90/712446490.db2.gz YKZIFUBUUGECOE-RYUDHWBXSA-N 1 0 230.352 0.458 10 0 BCAERO C[C@H]1OCC[C@H]1NC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000713238668 712455596 /nfs/dbraw/zinc/45/55/96/712455596.db2.gz HDNOUEYSWFKYSV-GPTQDWHKSA-N 1 0 224.304 0.407 10 0 BCAERO C[C@H]1CN(C(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)C[C@H](C)O1 ZINC000713244986 712456024 /nfs/dbraw/zinc/45/60/24/712456024.db2.gz ZLLRWOZCUFZEGC-JPYZYGQNSA-N 1 0 238.331 0.750 10 0 BCAERO CCC(CC)NC(=O)[C@@H]1CO[C@H](C[NH3+])C1 ZINC000713769475 712471806 /nfs/dbraw/zinc/47/18/06/712471806.db2.gz XBOPEHNMFZYZNG-WPRPVWTQSA-N 1 0 214.309 0.655 10 0 BCAERO Cc1cccc(CNC(=O)[C@H]2CO[C@H](C[NH3+])C2)c1 ZINC000713765781 712472138 /nfs/dbraw/zinc/47/21/38/712472138.db2.gz COIMWQJTEYSMIL-OLZOCXBDSA-N 1 0 248.326 0.975 10 0 BCAERO Cc1ccc(CNC(=O)[C@H]2CO[C@@H](C[NH3+])C2)cc1 ZINC000713783658 712472300 /nfs/dbraw/zinc/47/23/00/712472300.db2.gz RJBQLZTWMILOFH-CHWSQXEVSA-N 1 0 248.326 0.975 10 0 BCAERO CCN(C(=O)[C@@H]1CO[C@@H](C[NH3+])C1)C(C)C ZINC000713878566 712472316 /nfs/dbraw/zinc/47/23/16/712472316.db2.gz IAKVMUFIPJVNDK-VHSXEESVSA-N 1 0 214.309 0.607 10 0 BCAERO [NH3+]C[C@H]1C[C@@H](C(=O)NCCc2ccccc2)CO1 ZINC000713783665 712472485 /nfs/dbraw/zinc/47/24/85/712472485.db2.gz RJKVSJKTGLMENX-CHWSQXEVSA-N 1 0 248.326 0.709 10 0 BCAERO CC[C@H](C)NC(=O)[C@H]1CO[C@H](C[NH3+])C1 ZINC000713837073 712473518 /nfs/dbraw/zinc/47/35/18/712473518.db2.gz LKVYITXTYBSBGN-YIZRAAEISA-N 1 0 200.282 0.265 10 0 BCAERO COCC1CC(NC(=O)[C@H](C)[C@@H](C)[NH3+])C1 ZINC000713930008 712473858 /nfs/dbraw/zinc/47/38/58/712473858.db2.gz GCQYSZGAWQJTBB-LGUIWLBCSA-N 1 0 214.309 0.511 10 0 BCAERO COCC1CC([NH2+]Cc2ccnc(OC)n2)C1 ZINC000713952298 712474743 /nfs/dbraw/zinc/47/47/43/712474743.db2.gz IOSFUFRTYGJDMH-UHFFFAOYSA-N 1 0 237.303 1.000 10 0 BCAERO C[N@H+](CC(C)(C)S(C)(=O)=O)CC1(O)CCC1 ZINC000713964698 712475098 /nfs/dbraw/zinc/47/50/98/712475098.db2.gz NDSYOUDQUSJIBR-UHFFFAOYSA-N 1 0 249.376 0.656 10 0 BCAERO COCC1CC([NH2+][C@@H](C)C[C@H]2COCCN2)C1 ZINC000713962544 712475113 /nfs/dbraw/zinc/47/51/13/712475113.db2.gz YSIPAXXAVMQKBK-WTIISPKJSA-N 1 0 242.363 0.768 10 0 BCAERO COCC1CC([NH2+]Cc2cnccn2)C1 ZINC000713984647 712476188 /nfs/dbraw/zinc/47/61/88/712476188.db2.gz KZTRPXVHUSMWCB-UHFFFAOYSA-N 1 0 207.277 0.991 10 0 BCAERO COCC1CC([NH2+]C[C@@H](O)COC(C)C)C1 ZINC000713979554 712476228 /nfs/dbraw/zinc/47/62/28/712476228.db2.gz WAPFDDPQRFSGIY-HTAVTVPLSA-N 1 0 231.336 0.787 10 0 BCAERO [NH3+]C[C@H]1C[C@H](c2nc(-c3ccccn3)no2)CO1 ZINC000714062228 712477692 /nfs/dbraw/zinc/47/76/92/712477692.db2.gz DNARYXURLQIRHH-DTWKUNHWSA-N 1 0 246.270 0.963 10 0 BCAERO CCCn1cc(C[NH2+][C@H](C)[C@H](C)O)nn1 ZINC000714418353 712485432 /nfs/dbraw/zinc/48/54/32/712485432.db2.gz XGVPVVDTHLBVPJ-BDAKNGLRSA-N 1 0 212.297 0.547 10 0 BCAERO CCn1cc(CN2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)nn1 ZINC000714431005 712485979 /nfs/dbraw/zinc/48/59/79/712485979.db2.gz YZENDTIGZPOXAT-ZMLRMANQSA-N 1 0 235.335 0.467 10 0 BCAERO CCn1cc(C[NH2+][C@H]2CCC[C@@H](O)C2)nn1 ZINC000714882167 712499117 /nfs/dbraw/zinc/49/91/17/712499117.db2.gz SVRNQIGRVNZADO-GXSJLCMTSA-N 1 0 224.308 0.691 10 0 BCAERO [NH3+]C[C@@H]1[C@H](C(=O)N[C@@H]2CCC[C@H](O)C2)C1(F)F ZINC000715073501 712505977 /nfs/dbraw/zinc/50/59/77/712505977.db2.gz KDQYLVFHUYIBDX-BZNPZCIMSA-N 1 0 248.273 0.246 10 0 BCAERO COc1cc(C)nc(NC[C@H]2C[C@H]([NH3+])C2)n1 ZINC000715073204 712506291 /nfs/dbraw/zinc/50/62/91/712506291.db2.gz JCPBGJARESFTCZ-KYZUINATSA-N 1 0 222.292 0.943 10 0 BCAERO [NH3+]C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC[C@H]2O)C1(F)F ZINC000715074384 712506294 /nfs/dbraw/zinc/50/62/94/712506294.db2.gz QHCSYJPMTQSGSL-JQCXWYLXSA-N 1 0 248.273 0.104 10 0 BCAERO Cc1nc(C)c(C(=O)NCC2CC([NH3+])C2)o1 ZINC000715084803 712507521 /nfs/dbraw/zinc/50/75/21/712507521.db2.gz BEXWITMFVQSKHY-UHFFFAOYSA-N 1 0 223.276 0.759 10 0 BCAERO [NH3+]C1CC(CNC(=O)C(F)(F)C(F)F)C1 ZINC000715083539 712507595 /nfs/dbraw/zinc/50/75/95/712507595.db2.gz WEMJHWRZSCFHKX-UHFFFAOYSA-N 1 0 228.189 0.740 10 0 BCAERO NC(=O)c1ccc(C(=O)NCC2CC([NH3+])C2)cc1 ZINC000715091484 712508130 /nfs/dbraw/zinc/50/81/30/712508130.db2.gz KTRXFNRHVCIPGR-UHFFFAOYSA-N 1 0 247.298 0.253 10 0 BCAERO COC(=O)c1ccc(NCC2CC([NH3+])C2)nn1 ZINC000715095636 712508254 /nfs/dbraw/zinc/50/82/54/712508254.db2.gz CIQDBLGCCABCGP-UHFFFAOYSA-N 1 0 236.275 0.412 10 0 BCAERO C[C@H](NC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F)C1CC1 ZINC000715127179 712511580 /nfs/dbraw/zinc/51/15/80/712511580.db2.gz SZLFYNSCUMYTSZ-GEVIPFJHSA-N 1 0 218.247 0.741 10 0 BCAERO CCCCNC(=O)[C@]12C[NH2+]C[C@H]1COCC2 ZINC000715430614 712518977 /nfs/dbraw/zinc/51/89/77/712518977.db2.gz DPTMXCFTECAZSH-CMPLNLGQSA-N 1 0 226.320 0.529 10 0 BCAERO [NH3+]C1CC(C(=O)N2C[C@H]3[C@@H](C2)C3(F)F)C1 ZINC000715444486 712519351 /nfs/dbraw/zinc/51/93/51/712519351.db2.gz BZYAHSZKVHLNSI-HYNHDVCUSA-N 1 0 216.231 0.447 10 0 BCAERO O=C(NCc1ncc[nH]1)[C@]12C[NH2+]C[C@H]1CCCC2 ZINC000715484186 712520785 /nfs/dbraw/zinc/52/07/85/712520785.db2.gz KIUHRIQQOBMHEE-ZWNOBZJWSA-N 1 0 248.330 0.806 10 0 BCAERO C[C@H]([NH2+]C[C@@H](O)C(C)(C)C)c1cn(C)nn1 ZINC000715843413 712532987 /nfs/dbraw/zinc/53/29/87/712532987.db2.gz OEWWNMDNSPIJQS-WCBMZHEXSA-N 1 0 226.324 0.873 10 0 BCAERO COCC1CC([NH2+][C@@H](C)c2cn(C)nn2)C1 ZINC000715873460 712537921 /nfs/dbraw/zinc/53/79/21/712537921.db2.gz CGPHPFXNRSIGRB-IDKOKCKLSA-N 1 0 224.308 0.891 10 0 BCAERO CCOC(=O)CCC[NH2+][C@H](C)c1cn(C)nn1 ZINC000715970303 712546876 /nfs/dbraw/zinc/54/68/76/712546876.db2.gz MFJYUNRIGFJTRD-SECBINFHSA-N 1 0 240.307 0.809 10 0 BCAERO C[C@H]1C[C@@H]1[NH2+]C1CC(S(C)(=O)=O)C1 ZINC000716121944 712550510 /nfs/dbraw/zinc/55/05/10/712550510.db2.gz RVAQTIGOVNQEDT-KRTGUUSXSA-N 1 0 203.307 0.560 10 0 BCAERO Cc1c(C[NH2+]CC2OCCCO2)cnn1C ZINC000716400239 712558575 /nfs/dbraw/zinc/55/85/75/712558575.db2.gz JTBPJJGQHJKPTO-UHFFFAOYSA-N 1 0 225.292 0.581 10 0 BCAERO C[C@H]1C[C@H]([NH2+]C2CC(C(N)=O)C2)c2nccn21 ZINC000716684403 712569918 /nfs/dbraw/zinc/56/99/18/712569918.db2.gz MGKMZSNQSUJKQS-NFTFJBJSSA-N 1 0 234.303 0.742 10 0 BCAERO Cc1occc1C[NH2+]C1CC(C(N)=O)C1 ZINC000716707942 712570262 /nfs/dbraw/zinc/57/02/62/712570262.db2.gz WTGYNKHCQYUPOY-UHFFFAOYSA-N 1 0 208.261 0.942 10 0 BCAERO NC(=O)C1CC([NH2+][C@@H]2CCCC[C@H]2O)C1 ZINC000716699701 712570420 /nfs/dbraw/zinc/57/04/20/712570420.db2.gz UIBUYFFJCSILSW-YDYPAMBWSA-N 1 0 212.293 0.143 10 0 BCAERO CC1(C)C[C@H]([NH2+]C2CC(C(N)=O)C2)CO1 ZINC000716717690 712570795 /nfs/dbraw/zinc/57/07/95/712570795.db2.gz RYRGLPRXZUURDE-HACHORDNSA-N 1 0 212.293 0.407 10 0 BCAERO C[C@@H](C[C@H]1CCOC1)[NH2+]C1CC(C(N)=O)C1 ZINC000716722392 712570871 /nfs/dbraw/zinc/57/08/71/712570871.db2.gz IYLMQCWQOWSBGT-IZUQBHJASA-N 1 0 226.320 0.655 10 0 BCAERO NC(=O)C1CC([NH2+]C[C@H](O)c2ccccc2)C1 ZINC000716731269 712571081 /nfs/dbraw/zinc/57/10/81/712571081.db2.gz JCUPCJVBLAMUIT-MCIGGMRASA-N 1 0 234.299 0.574 10 0 BCAERO CSC1(C[NH2+]C2CC(C(N)=O)C2)CC1 ZINC000716731300 712571175 /nfs/dbraw/zinc/57/11/75/712571175.db2.gz KGWYFXOWWVQNAU-UHFFFAOYSA-N 1 0 214.334 0.736 10 0 BCAERO CC[C@@H]1C[C@H]([NH2+]C2CC(C(N)=O)C2)CO1 ZINC000716731312 712571203 /nfs/dbraw/zinc/57/12/03/712571203.db2.gz KTBBDGSBVJNUMN-HORUIINNSA-N 1 0 212.293 0.407 10 0 BCAERO CC[C@@H]1C[C@@H]([NH2+]C2CC(C(N)=O)C2)CO1 ZINC000716731315 712571301 /nfs/dbraw/zinc/57/13/01/712571301.db2.gz KTBBDGSBVJNUMN-YDYPAMBWSA-N 1 0 212.293 0.407 10 0 BCAERO NC(=O)C1CC([NH2+][C@@H]2CCCSC2)C1 ZINC000716732449 712571623 /nfs/dbraw/zinc/57/16/23/712571623.db2.gz STSBGMYRYSGBOU-QJAFJHJLSA-N 1 0 214.334 0.736 10 0 BCAERO CC(C)(O)C[NH2+][C@@H]1CC(=O)N(CC2CC2)C1 ZINC000716759813 712572387 /nfs/dbraw/zinc/57/23/87/712572387.db2.gz WRGNRQFJCKTPHT-SNVBAGLBSA-N 1 0 226.320 0.358 10 0 BCAERO Cc1nnc(C[NH2+]C2CC(C(N)=O)C2)s1 ZINC000716758670 712572508 /nfs/dbraw/zinc/57/25/08/712572508.db2.gz CDHWOAQBZRDVOU-UHFFFAOYSA-N 1 0 226.305 0.200 10 0 BCAERO CC[C@@H]([NH2+]C1CC(C(N)=O)C1)[C@H]1CCOC1 ZINC000716768440 712572740 /nfs/dbraw/zinc/57/27/40/712572740.db2.gz BIPJZYQBYRDDAK-IDWGSYCQSA-N 1 0 226.320 0.655 10 0 BCAERO C[C@@H]1CN(C(=O)C[C@H]2CC(C)(C)CO2)C[C@@H]1[NH3+] ZINC000717091510 712630067 /nfs/dbraw/zinc/63/00/67/712630067.db2.gz LUSJVSYXDQPSBR-VWYCJHECSA-N 1 0 240.347 0.997 10 0 BCAERO CC1(C)CO[C@H](CC(=O)NC[C@H]2CC[NH2+]C2)C1 ZINC000717087192 712630225 /nfs/dbraw/zinc/63/02/25/712630225.db2.gz ALHWVCDJJQNEHI-WDEREUQCSA-N 1 0 240.347 0.917 10 0 BCAERO CC1(C)CO[C@@H](CNC(=O)[C@H]2CCC[NH2+]C2)C1 ZINC000717644462 712662787 /nfs/dbraw/zinc/66/27/87/712662787.db2.gz RQCISLMJYQZNFV-WDEREUQCSA-N 1 0 240.347 0.917 10 0 BCAERO C[C@H](NC(=O)CC1CC([NH3+])C1)[C@@H]1CCCO1 ZINC000718052036 712739569 /nfs/dbraw/zinc/73/95/69/712739569.db2.gz ZIABWMYSFUCXRQ-PMUOWJKOSA-N 1 0 226.320 0.798 10 0 BCAERO C[C@@H]1CO[C@H](C(=O)N[C@H]2CCC[C@H]2C[NH3+])C1 ZINC000718497445 712767282 /nfs/dbraw/zinc/76/72/82/712767282.db2.gz CHRQCRCRHUCNGH-NAKRPEOUSA-N 1 0 226.320 0.655 10 0 BCAERO C[C@H]1CO[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000718519881 712768592 /nfs/dbraw/zinc/76/85/92/712768592.db2.gz OCGLUHUQEVHZRN-ARHMULMVSA-N 1 0 238.331 0.811 10 0 BCAERO C[C@H]1CO[C@@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000718519889 712768739 /nfs/dbraw/zinc/76/87/39/712768739.db2.gz OCGLUHUQEVHZRN-NXQJVVEESA-N 1 0 238.331 0.811 10 0 BCAERO CC(C)OC[C@@H](O)C[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000037889858 712781528 /nfs/dbraw/zinc/78/15/28/712781528.db2.gz UYPZZEDKLOIGMM-WOPDTQHZSA-N 1 0 231.336 0.929 10 0 BCAERO O[C@@H]1CCC[C@H]1[N@@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000719105915 712796992 /nfs/dbraw/zinc/79/69/92/712796992.db2.gz XYOQJTDFPPMWIV-IJLUTSLNSA-N 1 0 241.331 0.985 10 0 BCAERO C[C@H](O)[C@H](C)[NH2+]Cc1cnc2n1CCC2 ZINC000719123526 712798482 /nfs/dbraw/zinc/79/84/82/712798482.db2.gz QCHLWGDBIJZLMI-IUCAKERBSA-N 1 0 209.293 0.688 10 0 BCAERO CC(C)(O)[C@@H]1CCC[N@H+](C[C@H]2CNC(=O)O2)C1 ZINC000719642263 712819680 /nfs/dbraw/zinc/81/96/80/712819680.db2.gz MYTXTMZFRHJPFB-NXEZZACHSA-N 1 0 242.319 0.578 10 0 BCAERO Cc1conc1Cn1cc(C(C)(C)[NH3+])nn1 ZINC000720372544 712836553 /nfs/dbraw/zinc/83/65/53/712836553.db2.gz JEZYSOIEXNOVFB-UHFFFAOYSA-N 1 0 221.264 0.817 10 0 BCAERO Cc1conc1CN1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC000720392345 712838132 /nfs/dbraw/zinc/83/81/32/712838132.db2.gz ZXZAJVNMFCXGHP-RYUDHWBXSA-N 1 0 237.303 0.546 10 0 BCAERO C[C@H](C(=O)N1CCC[C@@H]([NH3+])C1)[C@H]1CCCO1 ZINC000720541879 712850201 /nfs/dbraw/zinc/85/02/01/712850201.db2.gz PAGWGFKIGWPFMD-HBNTYKKESA-N 1 0 226.320 0.751 10 0 BCAERO C[C@@H](N[C@@H]1CCC[NH2+]C1)c1cn(C)nn1 ZINC000720574179 712852803 /nfs/dbraw/zinc/85/28/03/712852803.db2.gz JKFKMIDMBSSBJG-RKDXNWHRSA-N 1 0 209.297 0.218 10 0 BCAERO C[C@H](NC[C@@H]1CCC[NH2+]C1)c1cn(C)nn1 ZINC000720582743 712854902 /nfs/dbraw/zinc/85/49/02/712854902.db2.gz IXBVSSJTGXGBCG-VHSXEESVSA-N 1 0 223.324 0.465 10 0 BCAERO Cc1cc(CN2CCO[C@@H]3C[NH2+]C[C@@H]32)c(C)nn1 ZINC000720604556 712857859 /nfs/dbraw/zinc/85/78/59/712857859.db2.gz FDGYUUGGTTZSKG-QWHCGFSZSA-N 1 0 248.330 0.266 10 0 BCAERO C[C@@H](N[C@@H](C)c1cn(C)nn1)[C@H]1CC[NH2+]C1 ZINC000720604337 712857879 /nfs/dbraw/zinc/85/78/79/712857879.db2.gz ZQONNFWRMXPSMM-UTLUCORTSA-N 1 0 223.324 0.464 10 0 BCAERO CC1(C)CN(c2ccncc2C(N)=O)C[C@@H]1[NH3+] ZINC000720754504 712863629 /nfs/dbraw/zinc/86/36/29/712863629.db2.gz DPJZPQDTJHGOMV-JTQLQIEISA-N 1 0 234.303 0.354 10 0 BCAERO [NH3+]Cc1cn(C[C@@H]2C[C@@H]3CCC[C@H]3O2)nn1 ZINC000720865748 712871138 /nfs/dbraw/zinc/87/11/38/712871138.db2.gz BBZYFJRVNVJGIP-INTQDDNPSA-N 1 0 222.292 0.694 10 0 BCAERO C[C@@H]1CN(C(=O)[C@H]2[C@@H]3CC[NH2+]C[C@@H]32)C[C@@H](C)O1 ZINC000721025020 712887187 /nfs/dbraw/zinc/88/71/87/712887187.db2.gz RCKMFKRCYDIQES-JCIQBVFBSA-N 1 0 238.331 0.478 10 0 BCAERO C[C@@H]1CN(C(=O)[C@@H]2[C@@H]3CC[NH2+]C[C@@H]32)C[C@@H](C)O1 ZINC000721025022 712887298 /nfs/dbraw/zinc/88/72/98/712887298.db2.gz RCKMFKRCYDIQES-PZWNZHSQSA-N 1 0 238.331 0.478 10 0 BCAERO COC(=O)c1n[nH]nc1[C@@H](C[NH3+])C(C)C ZINC000685954516 538899273 /nfs/dbraw/zinc/89/92/73/538899273.db2.gz TVRSUABWMJQQPK-LURJTMIESA-N 1 0 212.253 0.290 10 0 BCAERO CC(C)(C)OC(=O)c1n[nH]nc1C1C[NH2+]C1 ZINC000685954709 538899364 /nfs/dbraw/zinc/89/93/64/538899364.db2.gz ZAPVCDXQQXDIFN-UHFFFAOYSA-N 1 0 224.264 0.447 10 0 BCAERO C[C@@H]1CC[C@H](S(C)(=O)=O)[C@H](C[NH3+])C1 ZINC000685955074 538900201 /nfs/dbraw/zinc/90/02/01/538900201.db2.gz SEOUSTZPRZJSCJ-VGMNWLOBSA-N 1 0 205.323 0.795 10 0 BCAERO CN1CC[C@@H]([NH3+])C12CN(C(=O)OC(C)(C)C)C2 ZINC000685955217 538900548 /nfs/dbraw/zinc/90/05/48/538900548.db2.gz WJETZRUSILRLGW-SECBINFHSA-N 1 0 241.335 0.639 10 0 BCAERO CCS(=O)(=O)[C@@H]1CC[C@H](C)C[C@@H]1[NH3+] ZINC000685955403 538901196 /nfs/dbraw/zinc/90/11/96/538901196.db2.gz ZBLIWMGYXUJJGT-XHNCKOQMSA-N 1 0 205.323 0.937 10 0 BCAERO Cn1cc(COCC(F)(F)C[NH3+])cn1 ZINC000685955784 538901525 /nfs/dbraw/zinc/90/15/25/538901525.db2.gz ALNNTWBWHDERMN-UHFFFAOYSA-N 1 0 205.208 0.531 10 0 BCAERO C[C@H]1COC[C@@H]1N(C)CC(F)(F)CN ZINC000685957036 538903431 /nfs/dbraw/zinc/90/34/31/538903431.db2.gz KSGKZLFQBLPISJ-YUMQZZPRSA-N 1 0 208.252 0.547 10 0 BCAERO CNCC(F)(F)COc1cnn(C)c1 ZINC000685957121 538903454 /nfs/dbraw/zinc/90/34/54/538903454.db2.gz QREVCDOKGLSBGK-UHFFFAOYSA-N 1 0 205.208 0.654 10 0 BCAERO CC[NH2+]CC[C@H](CO)[C@H]1CCS(=O)(=O)C1 ZINC000685963605 538910563 /nfs/dbraw/zinc/91/05/63/538910563.db2.gz UASIUXHOPNNDEL-ZJUUUORDSA-N 1 0 235.349 0.029 10 0 BCAERO COCC[NH2+]CC[C@H](CO)C1CCOCC1 ZINC000685961510 538908683 /nfs/dbraw/zinc/90/86/83/538908683.db2.gz SHMITEZNPMAJPS-GFCCVEGCSA-N 1 0 231.336 0.648 10 0 BCAERO [NH3+]CC(=O)Cc1sncc1Br ZINC000685962457 538909372 /nfs/dbraw/zinc/90/93/72/538909372.db2.gz IVPIXKLGFZSINS-UHFFFAOYSA-N 1 0 235.106 0.976 10 0 BCAERO CCC(CC)(C(=O)[O-])[N@@H+]1CCC[NH2+]CC1 ZINC000037959029 168312536 /nfs/dbraw/zinc/31/25/36/168312536.db2.gz RCMKRURCJIFKEA-UHFFFAOYSA-N 1 0 214.309 0.925 10 0 BCAERO COC(=O)c1n[nH]nc1[C@H]1CC[NH2+][C@@H]1C ZINC000685952558 538896563 /nfs/dbraw/zinc/89/65/63/538896563.db2.gz ATMUGGAZOKZWSL-RITPCOANSA-N 1 0 210.237 0.057 10 0 BCAERO CCOC(=O)c1n[nH]nc1[C@@H](C)C[NH2+]C ZINC000685953070 538896704 /nfs/dbraw/zinc/89/67/04/538896704.db2.gz FMVCNLNLLNWGSQ-LURJTMIESA-N 1 0 212.253 0.304 10 0 BCAERO CC[NH2+][C@@H](C)Cc1n[nH]nc1C(=O)OCC ZINC000685953216 538897191 /nfs/dbraw/zinc/89/71/91/538897191.db2.gz HPXMZWJTQBMDCE-ZETCQYMHSA-N 1 0 226.280 0.522 10 0 BCAERO CC[NH2+][C@H](C)Cc1n[nH]nc1C(=O)OCC ZINC000685953209 538897229 /nfs/dbraw/zinc/89/72/29/538897229.db2.gz HPXMZWJTQBMDCE-SSDOTTSWSA-N 1 0 226.280 0.522 10 0 BCAERO Cc1cc(C)nc(N2CCC[NH2+]CC2)n1 ZINC000035676044 177936336 /nfs/dbraw/zinc/93/63/36/177936336.db2.gz DCZBFNIUYRJYDJ-UHFFFAOYSA-N 1 0 206.293 0.893 10 0 BCAERO Clc1cncnc1NC[C@@H]1C[NH2+]CCCO1 ZINC000389839773 398140534 /nfs/dbraw/zinc/14/05/34/398140534.db2.gz YEKIPSKPJYYTGM-QMMMGPOBSA-N 1 0 242.710 0.342 10 0 BCAERO C[C@@H]([NH3+])c1csc(N2CCOCC2)n1 ZINC000070844292 398140701 /nfs/dbraw/zinc/14/07/01/398140701.db2.gz XDLLORFVYNSLCS-SSDOTTSWSA-N 1 0 213.306 0.999 10 0 BCAERO C[C@@H](C(=O)NC1CC1)[N@@H+]1CC[C@H](CCO)C1 ZINC000161609295 349485282 /nfs/dbraw/zinc/48/52/82/349485282.db2.gz SZSGFKOZJWVXSC-VHSXEESVSA-N 1 0 226.320 0.358 10 0 BCAERO CC(C)(C)NC(=O)C[N@@H+]1CC[C@H](CCO)C1 ZINC000161581103 349475705 /nfs/dbraw/zinc/47/57/05/349475705.db2.gz NKUGZYMGUDWOML-SNVBAGLBSA-N 1 0 228.336 0.605 10 0 BCAERO CCC(CC)(CO)[NH2+]C[C@@H](O)COCC1CC1 ZINC000053070494 168330371 /nfs/dbraw/zinc/33/03/71/168330371.db2.gz SNANIRUEPRJZHX-GFCCVEGCSA-N 1 0 245.363 0.915 10 0 BCAERO Cc1cc(CS(=O)(=O)NCC[C@@H](C)[NH3+])no1 ZINC000063171054 349500572 /nfs/dbraw/zinc/50/05/72/349500572.db2.gz RSPZAWGJXSHMLA-SSDOTTSWSA-N 1 0 247.320 0.140 10 0 BCAERO Cc1cc(C[N@@H+]2CC[C@@H](CCO)C2)nn1C ZINC000336693631 178001762 /nfs/dbraw/zinc/00/17/62/178001762.db2.gz DIKNWQKXISBXBK-NSHDSACASA-N 1 0 223.320 0.933 10 0 BCAERO [NH3+]C1CCC(C(=O)N2C[C@@H]3C[C@@H]3C2)CC1 ZINC000379552522 398153963 /nfs/dbraw/zinc/15/39/63/398153963.db2.gz DJDCXPZNPFSOGX-GGWWSXTCSA-N 1 0 208.305 0.982 10 0 BCAERO C[C@@H]([NH3+])CCNS(=O)(=O)c1ccccn1 ZINC000390409244 398172878 /nfs/dbraw/zinc/17/28/78/398172878.db2.gz DAAAYUTYYVMWIX-MRVPVSSYSA-N 1 0 229.305 0.097 10 0 BCAERO C[C@H]1CN(Cc2ccc(N)nc2)C[C@@H]1[NH3+] ZINC000390451321 398173944 /nfs/dbraw/zinc/17/39/44/398173944.db2.gz ZQJTUIMHLQPNOX-WPRPVWTQSA-N 1 0 206.293 0.273 10 0 BCAERO OC[C@@H]1CCC[N@@H+]1C[C@H]1CCC[C@@H](O)C1 ZINC000379891714 398175237 /nfs/dbraw/zinc/17/52/37/398175237.db2.gz AVLVWBPIGZBHSX-SDDRHHMPSA-N 1 0 213.321 0.994 10 0 BCAERO COC[C@H](C)NC(=O)[C@@H]1[NH2+]CC1(C)C ZINC000379972487 398177250 /nfs/dbraw/zinc/17/72/50/398177250.db2.gz BUQZVSRLVLZKJI-YUMQZZPRSA-N 1 0 200.282 0.136 10 0 BCAERO C[C@@H]1C[C@H](C)N(C(=O)[C@@H]2C[NH2+]CCOC2)C1 ZINC000643711517 398180515 /nfs/dbraw/zinc/18/05/15/398180515.db2.gz UKWDWQZXKJGWFF-OUAUKWLOSA-N 1 0 226.320 0.479 10 0 BCAERO CN(Cc1cccnc1)C(=O)[C@@H]1C[NH2+]CCOC1 ZINC000649354220 398167235 /nfs/dbraw/zinc/16/72/35/398167235.db2.gz ROWOTTJPFNNWSJ-GFCCVEGCSA-N 1 0 249.314 0.276 10 0 BCAERO Cc1nc[nH]c1CNC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000380225448 398191831 /nfs/dbraw/zinc/19/18/31/398191831.db2.gz NZKWIKVYOODRHC-UWVGGRQHSA-N 1 0 236.319 0.709 10 0 BCAERO CC1(C)OCC[C@]12[NH2+]CCc1nc[nH]c12 ZINC000400421528 398196485 /nfs/dbraw/zinc/19/64/85/398196485.db2.gz XWXFEIHZWIEMOB-LLVKDONJSA-N 1 0 207.277 0.950 10 0 BCAERO COC[C@@]1(C(=O)OC(C)(C)C)CC[NH2+]C1 ZINC000389719553 398196500 /nfs/dbraw/zinc/19/65/00/398196500.db2.gz PAQDGKKPXSZBDU-LLVKDONJSA-N 1 0 215.293 0.954 10 0 BCAERO C[C@@H]1OC[C@@]2([NH2+]CCc3nc[nH]c32)[C@@H]1C ZINC000405550937 398196702 /nfs/dbraw/zinc/19/67/02/398196702.db2.gz SAVIHDUYIREAPV-VHSKPIJISA-N 1 0 207.277 0.806 10 0 BCAERO C[C@@H]1[C@H](C)OCCN1C(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000380561987 398200404 /nfs/dbraw/zinc/20/04/04/398200404.db2.gz MKUJGEZIWHFSLP-NOOOWODRSA-N 1 0 240.347 0.997 10 0 BCAERO Cc1cc2ncnn2c(N2CCC[C@@H]2C[NH3+])c1 ZINC000053663420 178114502 /nfs/dbraw/zinc/11/45/02/178114502.db2.gz FLQQTEGEQPXADT-SNVBAGLBSA-N 1 0 231.303 0.965 10 0 BCAERO Cc1c([C@@H]2[C@@H](C[NH3+])CC(=O)N2C)cnn1C ZINC000309520207 136218946 /nfs/dbraw/zinc/21/89/46/136218946.db2.gz XYIGPQJPHDFMQC-KCJUWKMLSA-N 1 0 222.292 0.207 10 0 BCAERO CN1CCC[C@H]1C[NH+]1CCC(C)(O)CC1 ZINC000386335083 398205278 /nfs/dbraw/zinc/20/52/78/398205278.db2.gz QNANQFXMFGXPSV-NSHDSACASA-N 1 0 212.337 0.927 10 0 BCAERO CO[C@@H]1C[C@@H](CO)[N@H+](C[C@H]2CCCN2C)C1 ZINC000386371214 398207350 /nfs/dbraw/zinc/20/73/50/398207350.db2.gz YSLFVBCOYZHVFF-GRYCIOLGSA-N 1 0 228.336 0.162 10 0 BCAERO Cc1cc(NC(=O)[C@@H](C)N2CC[NH2+]CC2)no1 ZINC000034958649 178143614 /nfs/dbraw/zinc/14/36/14/178143614.db2.gz CJKUHCZSSZXCSV-SECBINFHSA-N 1 0 238.291 0.215 10 0 BCAERO CS[C@H]1CC[C@@H]1[NH2+]CCn1cncn1 ZINC000425358043 398217094 /nfs/dbraw/zinc/21/70/94/398217094.db2.gz QOZRKVKCVFRTAP-IUCAKERBSA-N 1 0 212.322 0.762 10 0 BCAERO Cc1cc(NCC[NH2+]C(C)C)n2ncnc2n1 ZINC000054267645 178162169 /nfs/dbraw/zinc/16/21/69/178162169.db2.gz YJPXXIOJVSFWRO-UHFFFAOYSA-N 1 0 234.307 0.843 10 0 BCAERO Cc1cc(NC[C@H]([NH3+])C2CC2)n2ncnc2n1 ZINC000104322631 178168740 /nfs/dbraw/zinc/16/87/40/178168740.db2.gz XCEIIQSSPREXTO-VIFPVBQESA-N 1 0 232.291 0.582 10 0 BCAERO Cc1cc(NC[C@H]2C[NH2+]CCO2)ncn1 ZINC000227786551 178170477 /nfs/dbraw/zinc/17/04/77/178170477.db2.gz MWCFQZMRKXQKMX-SECBINFHSA-N 1 0 208.265 0.185 10 0 BCAERO Cc1cc(N[C@@H]2CCS(=O)(=O)C2)[nH+]cc1N ZINC000082550061 178183080 /nfs/dbraw/zinc/18/30/80/178183080.db2.gz KMGBBVGXLRNOIT-MRVPVSSYSA-N 1 0 241.316 0.571 10 0 BCAERO Cc1cc(S(=O)(=O)CC[NH3+])ccc1F ZINC000011896414 178215379 /nfs/dbraw/zinc/21/53/79/178215379.db2.gz ROKRTLPMGLAJLH-UHFFFAOYSA-N 1 0 217.265 0.867 10 0 BCAERO C[C@@H]1C[C@H](O)CN1[C@H](C[NH3+])C(F)(F)F ZINC000306643408 361781585 /nfs/dbraw/zinc/78/15/85/361781585.db2.gz WNVBNAWNDYTBRK-DSYKOEDSSA-N 1 0 212.215 0.331 10 0 BCAERO COCC1(NC(=O)C[C@@H]([NH3+])C(C)C)CC1 ZINC000381195166 398232649 /nfs/dbraw/zinc/23/26/49/398232649.db2.gz ZUIVEOVOONRYLJ-SECBINFHSA-N 1 0 214.309 0.655 10 0 BCAERO Cc1cnn(CCNC(=O)[C@H]2C[C@@H]([NH3+])C2)c1 ZINC000576521486 365617904 /nfs/dbraw/zinc/61/79/04/365617904.db2.gz TXZGMOKIJJGBLR-AOOOYVTPSA-N 1 0 222.292 0.045 10 0 BCAERO COC[C@H](C)C(=O)N1CC[NH2+]CC1(C)C ZINC000390801112 398249476 /nfs/dbraw/zinc/24/94/76/398249476.db2.gz ZBPYIJNYQPYDNU-VIFPVBQESA-N 1 0 214.309 0.479 10 0 BCAERO CCCOCC(=O)N1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000233223421 136230242 /nfs/dbraw/zinc/23/02/42/136230242.db2.gz IWPUBRXBUBJCGH-GHMZBOCLSA-N 1 0 228.336 0.999 10 0 BCAERO C[C@@H]1OCC[C@@H]1NC(=O)[C@@H]1[NH2+]CC1(C)C ZINC000390790952 398249779 /nfs/dbraw/zinc/24/97/79/398249779.db2.gz BZHYQTFXMDAANE-CIUDSAMLSA-N 1 0 212.293 0.278 10 0 BCAERO CCCOCC(=O)N1C[C@H]([NH3+])[C@@H](C)C1 ZINC000233224008 136230393 /nfs/dbraw/zinc/23/03/93/136230393.db2.gz VTMKLDBWFCZFGI-IUCAKERBSA-N 1 0 200.282 0.219 10 0 BCAERO CN1CCC[C@H]1C[NH2+]C1(CO)CCCC1 ZINC000386345927 398264779 /nfs/dbraw/zinc/26/47/79/398264779.db2.gz SZPAOIJCPMIBAX-NSHDSACASA-N 1 0 212.337 0.975 10 0 BCAERO CCC(CC)[N@H+](CCO)C[C@@]1(CO)CCOC1 ZINC000051295244 168373872 /nfs/dbraw/zinc/37/38/72/168373872.db2.gz SXECBAOWRRTBKF-CYBMUJFWSA-N 1 0 245.363 0.868 10 0 BCAERO CCC(CC)N(CCO)C(=O)[C@@H]1C[NH2+]C[C@@H]1C ZINC000104214880 168373945 /nfs/dbraw/zinc/37/39/45/168373945.db2.gz XDECAAJNEOWECK-CMPLNLGQSA-N 1 0 242.363 0.851 10 0 BCAERO C[NH2+][C@@H](C)CNC(=O)c1cccc(N)c1 ZINC000381721448 398270163 /nfs/dbraw/zinc/27/01/63/398270163.db2.gz LWLNLPJFKDBBAC-QMMMGPOBSA-N 1 0 207.277 0.607 10 0 BCAERO Cc1ccc(C(=O)N2CC[C@@H]([NH3+])[C@@H]2C)cn1 ZINC000309266895 178395311 /nfs/dbraw/zinc/39/53/11/178395311.db2.gz FICPBTOESVQOCV-GXSJLCMTSA-N 1 0 219.288 0.952 10 0 BCAERO Cc1ccc(C(=O)N2CC[C@@H]([NH3+])[C@H]2C)cn1 ZINC000309266899 178396400 /nfs/dbraw/zinc/39/64/00/178396400.db2.gz FICPBTOESVQOCV-MWLCHTKSSA-N 1 0 219.288 0.952 10 0 BCAERO [NH3+]CCN1CC[C@H](c2ccccc2CCO)C1 ZINC000616612829 349592891 /nfs/dbraw/zinc/59/28/91/349592891.db2.gz SSVJZEZJPMGOKD-ZDUSSCGKSA-N 1 0 234.343 0.969 10 0 BCAERO CCCCS(=O)(=O)NC[C@H]1CC[C@H]([NH3+])C1 ZINC000035904917 538958566 /nfs/dbraw/zinc/95/85/66/538958566.db2.gz DKBMUILSFHLRMS-UWVGGRQHSA-N 1 0 234.365 0.833 10 0 BCAERO CCC(CC)NC(=O)CN(CC)CC[NH3+] ZINC000049285485 168377740 /nfs/dbraw/zinc/37/77/40/168377740.db2.gz ZFARITWSEUXCAM-UHFFFAOYSA-N 1 0 215.341 0.572 10 0 BCAERO C[N@@H+]1CC[C@@H](CN2C(=S)N=NC2N)C1 ZINC000070881775 361833840 /nfs/dbraw/zinc/83/38/40/361833840.db2.gz KJEJESCIAWGJOZ-ZCFIWIBFSA-N 1 0 213.310 0.101 10 0 BCAERO C[C@@H]([NH2+][C@@H]1CCc2ncnn2C1)C1CC1 ZINC000165302115 361838222 /nfs/dbraw/zinc/83/82/22/361838222.db2.gz IWTXGYRSEDASII-PSASIEDQSA-N 1 0 206.293 0.981 10 0 BCAERO CCC[S@@](=O)N1CC[NH2+]C[C@H](C)C1 ZINC000306644155 361831500 /nfs/dbraw/zinc/83/15/00/361831500.db2.gz YQVNNFRZYWYQNV-TVQRCGJNSA-N 1 0 204.339 0.601 10 0 BCAERO CSc1ccc([C@H](O)[C@H]([NH3+])CO)cc1 ZINC000000056796 342671894 /nfs/dbraw/zinc/67/18/94/342671894.db2.gz IULJJGJXIGQINK-ZJUUUORDSA-N 1 0 213.302 0.762 10 0 BCAERO Cn1cc(C(=O)C(C)(C)C(C)(C)[NH3+])nn1 ZINC000306647658 361842849 /nfs/dbraw/zinc/84/28/49/361842849.db2.gz DQIXGOUFTKTZGT-UHFFFAOYSA-N 1 0 210.281 0.761 10 0 BCAERO CC(C)(N)C[N@@H+]1CCCC[C@H](CO)C1 ZINC000306656709 361866222 /nfs/dbraw/zinc/86/62/22/361866222.db2.gz HGSCMMCCKYCUAS-JTQLQIEISA-N 1 0 200.326 0.818 10 0 BCAERO CCN1C[C@H](NC(=O)C[C@H]([NH3+])C(C)C)CC1=O ZINC000391559126 398280166 /nfs/dbraw/zinc/28/01/66/398280166.db2.gz FKDCDNKIGRAUMS-ZJUUUORDSA-N 1 0 241.335 0.097 10 0 BCAERO CSCCC(=O)N1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000602594112 349616355 /nfs/dbraw/zinc/61/63/55/349616355.db2.gz PTTJFPHFJOPZMM-BDAKNGLRSA-N 1 0 216.350 0.793 10 0 BCAERO CCOc1ccc(NS(=O)(=O)CC[NH3+])cc1 ZINC000003619293 342735058 /nfs/dbraw/zinc/73/50/58/342735058.db2.gz MSLCSNNRQGMSFE-UHFFFAOYSA-N 1 0 244.316 0.786 10 0 BCAERO CCN(C)C(=O)[C@H](C)NC[C@@H]1CCC[NH2+]C1 ZINC000231844313 342739995 /nfs/dbraw/zinc/73/99/95/342739995.db2.gz MQBFTKSGBZSCDA-WDEREUQCSA-N 1 0 227.352 0.442 10 0 BCAERO CCN(C)C(=O)[C@H](C)NC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000231854091 342740455 /nfs/dbraw/zinc/74/04/55/342740455.db2.gz KKWOZHKPUYVUCD-LPEHRKFASA-N 1 0 241.335 0.097 10 0 BCAERO C[C@@H]1CCC[C@]([NH3+])(C(=O)NCCO)C1 ZINC000070903693 361877437 /nfs/dbraw/zinc/87/74/37/361877437.db2.gz ZOXUWVTWFOVRPN-PSASIEDQSA-N 1 0 200.282 0.003 10 0 BCAERO CCOC(=O)CC[C@H]1CC[C@@H](C(=O)OC)C[NH2+]1 ZINC000145426043 342761352 /nfs/dbraw/zinc/76/13/52/342761352.db2.gz UIIQYITZAOQOIK-NXEZZACHSA-N 1 0 243.303 0.871 10 0 BCAERO OC[C@H]1CC[C@](O)(c2ccccc2)C[NH2+]1 ZINC000146029811 342765046 /nfs/dbraw/zinc/76/50/46/342765046.db2.gz XIYYHWXYEUFVGL-VXGBXAGGSA-N 1 0 207.273 0.619 10 0 BCAERO Cc1ccc(Cn2nnnc2C[NH3+])s1 ZINC000054746458 398283187 /nfs/dbraw/zinc/28/31/87/398283187.db2.gz ZBZVTLVNCDZQRI-UHFFFAOYSA-N 1 0 209.278 0.550 10 0 BCAERO O=C(NC1CCC1)[C@H]1CSCC[NH2+]1 ZINC000126892538 342800977 /nfs/dbraw/zinc/80/09/77/342800977.db2.gz DRWNOERNPBDEGP-MRVPVSSYSA-N 1 0 200.307 0.360 10 0 BCAERO O=C(Nc1ccon1)[C@H]1CSCC[NH2+]1 ZINC000126904071 342802251 /nfs/dbraw/zinc/80/22/51/342802251.db2.gz RTIVFQHJKKZLIB-ZCFIWIBFSA-N 1 0 213.262 0.318 10 0 BCAERO C[C@@H]1CN(C(=O)c2ccc3n[nH]cc3c2)C[C@@H]1[NH3+] ZINC000335618428 136237864 /nfs/dbraw/zinc/23/78/64/136237864.db2.gz PPELEVOURQELFE-KCJUWKMLSA-N 1 0 244.298 0.982 10 0 BCAERO [NH3+]C[C@@H](F)[C@@](O)(C1CC1)C(F)(F)F ZINC000149655477 342793662 /nfs/dbraw/zinc/79/36/62/342793662.db2.gz QSIRDJVWZIYUDC-RITPCOANSA-N 1 0 201.163 0.987 10 0 BCAERO C[C@@H]1C[C@@H]1NC(=O)[C@@H]1CSCC[NH2+]1 ZINC000126892765 342803216 /nfs/dbraw/zinc/80/32/16/342803216.db2.gz LTUPNXCAIKTONK-CSMHCCOUSA-N 1 0 200.307 0.216 10 0 BCAERO C[C@@H]1C[C@@H](C[NH3+])CN1S(=O)(=O)C(F)F ZINC000126873155 342797410 /nfs/dbraw/zinc/79/74/10/342797410.db2.gz CVGAXHRFIWADAF-RITPCOANSA-N 1 0 228.264 0.208 10 0 BCAERO CNC(=O)[C@H]([NH2+]C[C@@H](C)COC)C(C)C ZINC000188158899 538977846 /nfs/dbraw/zinc/97/78/46/538977846.db2.gz UNSHGZGZZAADFC-NXEZZACHSA-N 1 0 216.325 0.629 10 0 BCAERO CCc1cc(N[C@@H]2CCOC[C@@H]2O)cc[nH+]1 ZINC000624687728 342816601 /nfs/dbraw/zinc/81/66/01/342816601.db2.gz XEAQOKAPWWLWOT-NEPJUHHUSA-N 1 0 222.288 0.628 10 0 BCAERO Cc1cc(N[C@H]2CCOC[C@@H]2O)cc[nH+]1 ZINC000624682049 342818882 /nfs/dbraw/zinc/81/88/82/342818882.db2.gz GUHAJFGENRSDKG-QWRGUYRKSA-N 1 0 208.261 0.374 10 0 BCAERO CC(C)CC(=O)N1CC[C@H]2OCC[NH2+][C@H]2C1 ZINC000404080393 342829073 /nfs/dbraw/zinc/82/90/73/342829073.db2.gz RXTLBBPDUKHYEQ-WDEREUQCSA-N 1 0 226.320 0.622 10 0 BCAERO COC(=O)[C@H](N)CC[NH2+]Cc1ccccc1 ZINC000044336356 538988680 /nfs/dbraw/zinc/98/86/80/538988680.db2.gz CZUFOLWVNJPKIS-LLVKDONJSA-N 1 0 222.288 0.667 10 0 BCAERO CC[N@@H+]1C[C@@H](C)[C@@H](NCc2ncc[nH]2)C1 ZINC000380340405 538989152 /nfs/dbraw/zinc/98/91/52/538989152.db2.gz RKMLTQGYMIXLPF-ZJUUUORDSA-N 1 0 208.309 0.840 10 0 BCAERO CC[N@@H+]1C[C@@H](C)[C@H](NCc2ncc[nH]2)C1 ZINC000380340402 538989188 /nfs/dbraw/zinc/98/91/88/538989188.db2.gz RKMLTQGYMIXLPF-NXEZZACHSA-N 1 0 208.309 0.840 10 0 BCAERO NC(=O)[C@]1([NH2+]C2CCCCC2)CCOC1 ZINC000070992751 361927765 /nfs/dbraw/zinc/92/77/65/361927765.db2.gz NLKRGZVPCNJRNS-NSHDSACASA-N 1 0 212.293 0.553 10 0 BCAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)Cc1ccn(C)n1 ZINC000335479963 398290954 /nfs/dbraw/zinc/29/09/54/398290954.db2.gz PZLBSOPRKCNSRH-GXSJLCMTSA-N 1 0 236.319 0.219 10 0 BCAERO CC[C@H]1CN(C(=O)C(C)C)CC[N@@H+]1C[C@@H](C)O ZINC000174642693 361960378 /nfs/dbraw/zinc/96/03/78/361960378.db2.gz QPCSLGXFYLASPV-NEPJUHHUSA-N 1 0 242.363 0.946 10 0 BCAERO CN(C(=O)[C@]1(C)CCCS1)C1C[NH2+]C1 ZINC000164855417 342838777 /nfs/dbraw/zinc/83/87/77/342838777.db2.gz QYCYVHHZXOZLFI-JTQLQIEISA-N 1 0 214.334 0.702 10 0 BCAERO CC[NH+]1CCC([C@@H](C)S(N)(=O)=O)CC1 ZINC000050350503 539010998 /nfs/dbraw/zinc/01/09/98/539010998.db2.gz NJRQHUUYBRSPPD-MRVPVSSYSA-N 1 0 220.338 0.395 10 0 BCAERO CC[N@@H+]1C[C@H](C)[C@H](Nc2cncc(C)n2)C1 ZINC000381345982 538998874 /nfs/dbraw/zinc/99/88/74/538998874.db2.gz ZANYCHSTIPULEK-GXSJLCMTSA-N 1 0 220.320 0.959 10 0 BCAERO C[N@@H+]1CC[C@@H](Cn2cc(N)ccc2=O)C1 ZINC000709401285 539027242 /nfs/dbraw/zinc/02/72/42/539027242.db2.gz GSXPNIWNYMUQHQ-SECBINFHSA-N 1 0 207.277 0.382 10 0 BCAERO CC1(C)CN(S(=O)(=O)C2CCCC2)C[C@H]1[NH3+] ZINC000388023502 539014550 /nfs/dbraw/zinc/01/45/50/539014550.db2.gz FUSKPZBMQRHJTN-SNVBAGLBSA-N 1 0 246.376 0.928 10 0 BCAERO C[C@H](CC(N)=S)[N@@H+]1CCC[C@H](O)C1 ZINC000042468421 362002995 /nfs/dbraw/zinc/00/29/95/362002995.db2.gz LWPUGKHWCNFCOU-SFYZADRCSA-N 1 0 202.323 0.508 10 0 BCAERO CC(C)(C)[NH+]1CCN(C(N)=S)CC1 ZINC000042462937 362001250 /nfs/dbraw/zinc/00/12/50/362001250.db2.gz BVHZSBPDFHRZQT-UHFFFAOYSA-N 1 0 201.339 0.646 10 0 BCAERO C[n+]1ccc(C(=O)NCCCn2ccnc2)cc1 ZINC000032604292 342853996 /nfs/dbraw/zinc/85/39/96/342853996.db2.gz AOWYXRYEHMSISA-UHFFFAOYSA-O 1 0 245.306 0.528 10 0 BCAERO C[C@@H]1C[C@@H](C)SC(NCCC(N)=O)=[NH+]1 ZINC000164973893 342861357 /nfs/dbraw/zinc/86/13/57/342861357.db2.gz YQCLONXLCXGXRO-RNFRBKRXSA-N 1 0 215.322 0.721 10 0 BCAERO C[NH2+][C@@H]1CSC[C@H]1Cc1ccn(C)n1 ZINC000134590216 342871362 /nfs/dbraw/zinc/87/13/62/342871362.db2.gz OSYMUJBTKXXVMI-PSASIEDQSA-N 1 0 211.334 0.914 10 0 BCAERO [NH3+]C[C@@H](CO)c1ccncc1Br ZINC000165051400 342872401 /nfs/dbraw/zinc/87/24/01/342872401.db2.gz SUWXJEPDTWTFKM-LURJTMIESA-N 1 0 231.093 0.879 10 0 BCAERO C[C@H]([NH3+])[C@@H](C)CN1CCS(=O)CC1 ZINC000165120243 342876617 /nfs/dbraw/zinc/87/66/17/342876617.db2.gz SFKGWDFJIUFDLY-IUCAKERBSA-N 1 0 204.339 0.034 10 0 BCAERO CC(C)(C)OC(=O)NCC[NH2+]C[C@@H](O)C1CC1 ZINC000134691300 342877633 /nfs/dbraw/zinc/87/76/33/342877633.db2.gz BKDOGCYBQPEZAM-SNVBAGLBSA-N 1 0 244.335 0.872 10 0 BCAERO CC(=O)Nc1ccccc1[C@@H]1C[NH2+]CCN1 ZINC000309149493 342895987 /nfs/dbraw/zinc/89/59/87/342895987.db2.gz FSBVYSGUKNNLNO-LBPRGKRZSA-N 1 0 219.288 0.879 10 0 BCAERO C[S@](=O)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000401690657 342906334 /nfs/dbraw/zinc/90/63/34/342906334.db2.gz ZXZSGZMEUIFZQO-OQPBUACISA-N 1 0 202.323 0.544 10 0 BCAERO CCOCCC(=O)N1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000233716006 342912130 /nfs/dbraw/zinc/91/21/30/342912130.db2.gz SLKVZRZMUKAYBN-BDAKNGLRSA-N 1 0 200.282 0.219 10 0 BCAERO CCC[C@H]([NH3+])C(=O)NC[C@H]1CCCO1 ZINC000036872954 342912761 /nfs/dbraw/zinc/91/27/61/342912761.db2.gz PQSNDSWXTYIWGW-BDAKNGLRSA-N 1 0 200.282 0.409 10 0 BCAERO C[C@H]1CCN(C(=O)C(F)F)[C@@H](C[NH3+])C1 ZINC000235579083 344008548 /nfs/dbraw/zinc/00/85/48/344008548.db2.gz FNVINTVBSWYLIV-NKWVEPMBSA-N 1 0 206.236 0.837 10 0 BCAERO C[NH2+][C@H](C)C(=O)NC[C@@H](C)c1nccs1 ZINC000234429444 342925511 /nfs/dbraw/zinc/92/55/11/342925511.db2.gz BEEOSMJKSSUAAD-HTQZYQBOSA-N 1 0 227.333 0.971 10 0 BCAERO COC(=O)C1=C(O)CC[N@H+](CC(C)C)C1 ZINC000058442505 398324751 /nfs/dbraw/zinc/32/47/51/398324751.db2.gz HGFPVTUCIKOBHX-VIFPVBQESA-N 1 0 213.277 0.706 10 0 BCAERO CCc1nnsc1C(=O)N1C[C@H]([NH3+])[C@@H](C)C1 ZINC000234177552 342917274 /nfs/dbraw/zinc/91/72/74/342917274.db2.gz NEHHUYSHEAJUGA-BQBZGAKWSA-N 1 0 240.332 0.520 10 0 BCAERO CCc1cnc(CNC(=O)[C@@H](C)[NH2+]C)s1 ZINC000234142651 342917305 /nfs/dbraw/zinc/91/73/05/342917305.db2.gz BCAGERLMHVBRGL-SSDOTTSWSA-N 1 0 227.333 0.930 10 0 BCAERO C[C@H](CC(N)=O)[NH2+][C@H]1CCCC[C@@H]1CO ZINC000304746795 398327038 /nfs/dbraw/zinc/32/70/38/398327038.db2.gz VLKAGFPENIWOMR-BBBLOLIVSA-N 1 0 214.309 0.391 10 0 BCAERO O=C(C[NH2+]C1CC1)N[C@@H]1CCC[C@H](O)C1 ZINC000037477034 398327665 /nfs/dbraw/zinc/32/76/65/398327665.db2.gz OKUHIZZYDZXHRW-ZJUUUORDSA-N 1 0 212.293 0.158 10 0 BCAERO CC(C)(O)C[N@@H+]1CCCC2(C1)OCCO2 ZINC000134019207 398328627 /nfs/dbraw/zinc/32/86/27/398328627.db2.gz GANBIFUIMLYRDX-UHFFFAOYSA-N 1 0 215.293 0.596 10 0 BCAERO O=C(C[NH2+]C1CC1)NCC[C@@H]1CCCO1 ZINC000038097072 398336057 /nfs/dbraw/zinc/33/60/57/398336057.db2.gz QAEPTSDDBQOQAE-JTQLQIEISA-N 1 0 212.293 0.424 10 0 BCAERO Cn1ccc(CC(=O)[C@@H]2CCCC[NH2+]2)n1 ZINC000167691811 346887794 /nfs/dbraw/zinc/88/77/94/346887794.db2.gz LYPNEMGAAIDKDL-JTQLQIEISA-N 1 0 207.277 0.674 10 0 BCAERO CCN(C[C@H]1CCOC1)C(=O)[C@H]1CCC[NH2+]C1 ZINC000037827185 398334781 /nfs/dbraw/zinc/33/47/81/398334781.db2.gz BMRGJJIAESPUQS-NEPJUHHUSA-N 1 0 240.347 0.871 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N(CC)C[C@@H]1CCOC1 ZINC000037827266 398334835 /nfs/dbraw/zinc/33/48/35/398334835.db2.gz FHAQGXWAXNYNIL-QWRGUYRKSA-N 1 0 228.336 0.999 10 0 BCAERO CS(=O)(=O)c1ccc([C@H](O)[C@@H]([NH3+])CF)cc1 ZINC000034100778 398345233 /nfs/dbraw/zinc/34/52/33/398345233.db2.gz XLSYLQDVLAXIKK-UWVGGRQHSA-N 1 0 247.291 0.420 10 0 in-vitro BCAERO CC(C)(O)C[NH2+]C[C@@H]1CCCCS1(=O)=O ZINC000576817521 365692083 /nfs/dbraw/zinc/69/20/83/365692083.db2.gz LDKGVDMVAINMHU-VIFPVBQESA-N 1 0 235.349 0.314 10 0 BCAERO COc1ncccc1C(=O)N1C[C@H](C)[C@H]([NH3+])C1 ZINC000234890955 342957489 /nfs/dbraw/zinc/95/74/89/342957489.db2.gz XJAPLKWSGXOQKO-WCBMZHEXSA-N 1 0 235.287 0.509 10 0 BCAERO Oc1ccccc1CCN[C@@H]1CC[NH2+]C1 ZINC000215949474 346904512 /nfs/dbraw/zinc/90/45/12/346904512.db2.gz BAGXAPJHZWQFSV-LLVKDONJSA-N 1 0 206.289 0.886 10 0 BCAERO C[C@H]([NH2+]CCn1cncn1)[C@@H]1CCCO1 ZINC000053500646 346905623 /nfs/dbraw/zinc/90/56/23/346905623.db2.gz LWKYDHZMCQUILS-UWVGGRQHSA-N 1 0 210.281 0.435 10 0 BCAERO C[NH2+][C@H](C)C(=O)N[C@@H]1CCCC[C@H]1O ZINC000227329167 344020442 /nfs/dbraw/zinc/02/04/42/344020442.db2.gz ZMFKDVDTYBIDKY-IWSPIJDZSA-N 1 0 200.282 0.014 10 0 BCAERO Cc1cnn(CCNC(=O)CC[C@@H](C)[NH3+])c1 ZINC000235164815 342988727 /nfs/dbraw/zinc/98/87/27/342988727.db2.gz MBTYHCAXVLMGCC-SNVBAGLBSA-N 1 0 224.308 0.435 10 0 BCAERO C[C@@H]1CN(C(=O)c2ccc[nH]c2=O)C[C@@H]1[NH3+] ZINC000235371480 343011443 /nfs/dbraw/zinc/01/14/43/343011443.db2.gz DLQNUGVBZCLUCA-APPZFPTMSA-N 1 0 221.260 0.206 10 0 BCAERO CC[C@H](C)[C@@H]([NH3+])[C@@H]1CCS(=O)(=O)C1 ZINC000043300162 343041217 /nfs/dbraw/zinc/04/12/17/343041217.db2.gz MSLGFLPXOLIVBR-DJLDLDEBSA-N 1 0 205.323 0.795 10 0 BCAERO CC(C)(C)[C@H]([NH3+])[C@@H]1CCS(=O)(=O)C1 ZINC000043299865 343041226 /nfs/dbraw/zinc/04/12/26/343041226.db2.gz OEMXRTRCNYOFEF-HTQZYQBOSA-N 1 0 205.323 0.795 10 0 BCAERO [NH3+]CCCCc1ccc(OC[C@H](O)CO)cc1 ZINC000118656798 343052230 /nfs/dbraw/zinc/05/22/30/343052230.db2.gz SWTFPLPPUYEGBH-GFCCVEGCSA-N 1 0 239.315 0.700 10 0 BCAERO NC(=S)CC[N@@H+]1CCO[C@H]2CCC[C@H]21 ZINC000043425445 343066932 /nfs/dbraw/zinc/06/69/32/343066932.db2.gz BQFBXWOFXCAFGN-BDAKNGLRSA-N 1 0 214.334 0.916 10 0 BCAERO CC[C@@H](C(=O)OC)N1CC[C@@H]([NH+](C)C)C1 ZINC000602886509 349794342 /nfs/dbraw/zinc/79/43/42/349794342.db2.gz SFCAURQZZOLYJD-ZJUUUORDSA-N 1 0 214.309 0.574 10 0 BCAERO CC[NH2+]C[C@H](O)C[C@@](C)(O)C1CCOCC1 ZINC000584883009 343085759 /nfs/dbraw/zinc/08/57/59/343085759.db2.gz DRDPCGQCFWBNGJ-VXGBXAGGSA-N 1 0 231.336 0.525 10 0 BCAERO CCN(C)C(=O)Cn1c2ccccc2nc1C[NH3+] ZINC000584883240 343085889 /nfs/dbraw/zinc/08/58/89/343085889.db2.gz MYANCOTZTNMJDN-UHFFFAOYSA-N 1 0 246.314 0.973 10 0 BCAERO C[C@@H]([NH3+])Cc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000063024817 343074670 /nfs/dbraw/zinc/07/46/70/343074670.db2.gz DBYIEESZVDLHBC-SECBINFHSA-N 1 0 242.344 0.827 10 0 BCAERO COC(=O)c1cn([C@H]2CCC[NH2+]C2)nc1C ZINC000260331734 343076741 /nfs/dbraw/zinc/07/67/41/343076741.db2.gz FQDSCPKSEOTDJO-VIFPVBQESA-N 1 0 223.276 0.903 10 0 BCAERO COC(=O)c1cn([C@@H]2CCC[NH2+]C2)nc1C ZINC000260331728 343076897 /nfs/dbraw/zinc/07/68/97/343076897.db2.gz FQDSCPKSEOTDJO-SECBINFHSA-N 1 0 223.276 0.903 10 0 BCAERO OCCCC[NH2+]C[C@H](O)COCc1ccco1 ZINC000236498362 343097049 /nfs/dbraw/zinc/09/70/49/343097049.db2.gz HPHWYHPLRYZTRI-NSHDSACASA-N 1 0 243.303 0.519 10 0 BCAERO C[C@@H](C(N)=S)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000043513759 343116480 /nfs/dbraw/zinc/11/64/80/343116480.db2.gz GRMRNLXBBVNVCW-RNJXMRFFSA-N 1 0 202.323 0.770 10 0 BCAERO CC[NH2+]CCCNc1ccc(C(=O)NC)nn1 ZINC000095012824 343154428 /nfs/dbraw/zinc/15/44/28/343154428.db2.gz BLZCMFXNQVBSLG-UHFFFAOYSA-N 1 0 237.307 0.248 10 0 BCAERO C[NH+](C)[C@@H]1CCN(C(=O)N2CCOCC2)C1 ZINC000122401104 343159560 /nfs/dbraw/zinc/15/95/60/343159560.db2.gz RXXRXBHGMMPNRS-SNVBAGLBSA-N 1 0 227.308 0.075 10 0 BCAERO Cc1cc(N2CCN(C)C[C@@H]2C[NH3+])nc(C)n1 ZINC000122799962 343160789 /nfs/dbraw/zinc/16/07/89/343160789.db2.gz SBOVCHCJLJSXQP-NSHDSACASA-N 1 0 235.335 0.173 10 0 BCAERO C[NH2+][C@@H](C)C(=O)N[C@@H]1CCC[C@H](O)C1 ZINC000054072689 488205486 /nfs/dbraw/zinc/20/54/86/488205486.db2.gz AFUBVCXAZXQQMS-YIZRAAEISA-N 1 0 200.282 0.014 10 0 BCAERO Cn1ncnc1NC(=O)C[C@H]1CCC[NH2+]C1 ZINC000127267232 343172630 /nfs/dbraw/zinc/17/26/30/343172630.db2.gz HOQZTLRUNGJMCH-MRVPVSSYSA-N 1 0 223.280 0.143 10 0 BCAERO C[NH2+][C@@H]1CCN(c2ncnc3c2CCC3)C1 ZINC000150253396 343197166 /nfs/dbraw/zinc/19/71/66/343197166.db2.gz KUAIVIYTGMYONC-SECBINFHSA-N 1 0 218.304 0.763 10 0 BCAERO CN(C(=O)C(C)(C)N1CC[NH2+]CC1)C1CCC1 ZINC000143751916 343197914 /nfs/dbraw/zinc/19/79/14/343197914.db2.gz PBWNWPYVDZLEOK-UHFFFAOYSA-N 1 0 239.363 0.681 10 0 BCAERO CCC[C@H](O)CNC(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000158156285 343200812 /nfs/dbraw/zinc/20/08/12/343200812.db2.gz PVKRBDZLMBBNOU-VWYCJHECSA-N 1 0 228.336 0.781 10 0 BCAERO CCN(Cc1ccncc1)C(=O)[C@@H]([NH3+])COC ZINC000159761650 343202584 /nfs/dbraw/zinc/20/25/84/343202584.db2.gz XHVWZMGBHBVGPI-NSHDSACASA-N 1 0 237.303 0.404 10 0 BCAERO CS(=O)(=O)[C@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000306810040 136274034 /nfs/dbraw/zinc/27/40/34/136274034.db2.gz AYYBWLVVSJHYRW-UHNVWZDZSA-N 1 0 217.212 0.181 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)NCCCn1cccn1 ZINC000135362286 343192710 /nfs/dbraw/zinc/19/27/10/343192710.db2.gz DZYRAKNLBUJMOR-GHMZBOCLSA-N 1 0 236.319 0.245 10 0 BCAERO CCS(=O)(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000247229135 343225524 /nfs/dbraw/zinc/22/55/24/343225524.db2.gz CTGQTLKQHMOOGB-VIFPVBQESA-N 1 0 218.322 0.116 10 0 BCAERO CC(C)c1nnc(SCC[NH3+])n1C ZINC000032009942 343227559 /nfs/dbraw/zinc/22/75/59/343227559.db2.gz WTRAZKZCAYFCJB-UHFFFAOYSA-N 1 0 200.311 0.989 10 0 BCAERO COC[C@@H](C)C(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000179073211 536861910 /nfs/dbraw/zinc/86/19/10/536861910.db2.gz BYIFCFFCKGARRA-RKDXNWHRSA-N 1 0 200.282 0.089 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N(C)Cc1csc(C)n1 ZINC000088003903 136282904 /nfs/dbraw/zinc/28/29/04/136282904.db2.gz GTBWWOHSHKOQNJ-SECBINFHSA-N 1 0 243.332 0.384 10 0 BCAERO COC[C@@H]([NH3+])C(=O)NCCc1ccsc1 ZINC000088003802 136283086 /nfs/dbraw/zinc/28/30/86/136283086.db2.gz WXSOTWOOHLTKHY-SECBINFHSA-N 1 0 228.317 0.381 10 0 BCAERO CCC1(C)CCN(C(=O)[C@@H]([NH3+])COC)CC1 ZINC000088004248 136283218 /nfs/dbraw/zinc/28/32/18/136283218.db2.gz KFDOETMZCAFAJO-JTQLQIEISA-N 1 0 228.336 0.999 10 0 BCAERO Cc1[nH+]c(N)nc(NC2CCOCC2)c1N ZINC000033358859 343252285 /nfs/dbraw/zinc/25/22/85/343252285.db2.gz UINMTIZRCVHMOX-UHFFFAOYSA-N 1 0 223.280 0.540 10 0 BCAERO C[C@@H]([NH2+][C@@H](C)C(=O)NC(N)=O)c1cccs1 ZINC000035138588 343286155 /nfs/dbraw/zinc/28/61/55/343286155.db2.gz QGGWBRUYZIDELV-RQJHMYQMSA-N 1 0 241.316 0.982 10 0 BCAERO COCCN(CCOC)c1cc[nH+]cc1N ZINC000019763627 187252450 /nfs/dbraw/zinc/25/24/50/187252450.db2.gz VQTIKENQIPWLLP-UHFFFAOYSA-N 1 0 225.292 0.763 10 0 BCAERO O=C(c1ccc(=O)oc1)N1CCC[NH2+]CC1 ZINC000019504210 187252546 /nfs/dbraw/zinc/25/25/46/187252546.db2.gz BAROCLWBWAHWRU-UHFFFAOYSA-N 1 0 222.244 0.075 10 0 BCAERO [NH3+][C@@H]1COC[C@H]1C(=O)Cc1cncs1 ZINC000226611103 343262425 /nfs/dbraw/zinc/26/24/25/343262425.db2.gz YNVJCAUHNXKKSJ-HTQZYQBOSA-N 1 0 212.274 0.228 10 0 BCAERO Fc1ccccc1OC[C@H]1C[NH2+]CCN1 ZINC000217405113 343277032 /nfs/dbraw/zinc/27/70/32/343277032.db2.gz RYRYCRUJRYUESP-SECBINFHSA-N 1 0 210.252 0.766 10 0 BCAERO C[C@H]1C[C@@H]1[NH2+]Cc1cnc(N(C)C)n1C ZINC000069718043 343290200 /nfs/dbraw/zinc/29/02/00/343290200.db2.gz RAMNUJUPQFTTTN-WPRPVWTQSA-N 1 0 208.309 0.984 10 0 BCAERO C[C@@H]1CC[N@H+](CC2(O)CCC2)C[C@@H]1CO ZINC000621366205 343279620 /nfs/dbraw/zinc/27/96/20/343279620.db2.gz HLKBYNLCNRHFFS-GHMZBOCLSA-N 1 0 213.321 0.852 10 0 BCAERO [NH3+]Cc1ccc(SCC[NH2+]CC(=O)[O-])cc1 ZINC000038918917 187254657 /nfs/dbraw/zinc/25/46/57/187254657.db2.gz CLTIAOXFZMTVFG-UHFFFAOYSA-N 1 0 240.328 0.912 10 0 BCAERO C[NH2+]Cc1cn(Cc2nccn2C(C)C)nn1 ZINC000641052469 362163232 /nfs/dbraw/zinc/16/32/32/362163232.db2.gz XVPOHQMEZCDJAS-UHFFFAOYSA-N 1 0 234.307 0.823 10 0 BCAERO COCC(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000070256804 343317160 /nfs/dbraw/zinc/31/71/60/343317160.db2.gz VNKFEAXJWICHDG-SNVBAGLBSA-N 1 0 216.325 0.725 10 0 BCAERO C[C@@]1(c2nccs2)OC[C@@H](C[NH3+])O1 ZINC000134993917 343366146 /nfs/dbraw/zinc/36/61/46/343366146.db2.gz KZKCBPYOTOACCW-HTRCEHHLSA-N 1 0 200.263 0.690 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)O1 ZINC000310199002 343379360 /nfs/dbraw/zinc/37/93/60/343379360.db2.gz ANASAFWQUBDFMC-NOOOWODRSA-N 1 0 238.331 0.764 10 0 BCAERO [NH3+][C@@H]1CCCC[C@@H]1NS(=O)(=O)C(F)F ZINC000038049915 343368082 /nfs/dbraw/zinc/36/80/82/343368082.db2.gz XNRYWPOQTNEONZ-RITPCOANSA-N 1 0 228.264 0.398 10 0 BCAERO [NH3+]C[C@H](N1CCCCC1=O)C(F)(F)F ZINC000037169835 343337908 /nfs/dbraw/zinc/33/79/08/343337908.db2.gz UUTVPAPJOAPNIX-LURJTMIESA-N 1 0 210.199 0.889 10 0 BCAERO C[C@H](NC(=O)CC1([NH3+])CC1)[C@@H]1CCCO1 ZINC000398164894 488213449 /nfs/dbraw/zinc/21/34/49/488213449.db2.gz JDZWPIFEJCLIEB-IUCAKERBSA-N 1 0 212.293 0.552 10 0 BCAERO [NH3+]C1(C(=O)N2CCSCC2)CCCC1 ZINC000037479426 343346944 /nfs/dbraw/zinc/34/69/44/343346944.db2.gz GQHOJCDDOGIQCK-UHFFFAOYSA-N 1 0 214.334 0.833 10 0 BCAERO CC(=O)Nc1ccc(C[NH2+][C@@H](C)C(N)=O)cc1 ZINC000035148847 187258127 /nfs/dbraw/zinc/25/81/27/187258127.db2.gz GCUBMTYHUYBLND-QMMMGPOBSA-N 1 0 235.287 0.608 10 0 BCAERO COc1ccc(C[C@@H](C)[NH3+])cc1OCC(N)=O ZINC000037728037 187260129 /nfs/dbraw/zinc/26/01/29/187260129.db2.gz ZWECKVHNMAUJCL-MRVPVSSYSA-N 1 0 238.287 0.449 10 0 BCAERO [NH3+]C1(CC(=O)NC[C@@H]2CCCC[C@H]2O)CC1 ZINC000398188510 488214068 /nfs/dbraw/zinc/21/40/68/488214068.db2.gz VZWOBDZUAWHGII-VHSXEESVSA-N 1 0 226.320 0.535 10 0 BCAERO C[NH+](C)[C@H]1CC2(CC[C@@H]1O)OCCO2 ZINC000039384586 343389682 /nfs/dbraw/zinc/38/96/82/343389682.db2.gz MRKPRQYFNJZHPM-IUCAKERBSA-N 1 0 201.266 0.205 10 0 BCAERO O=C(c1ccc2c(c1)CC[NH2+]CC2)N1CCCN1 ZINC000335693689 136326253 /nfs/dbraw/zinc/32/62/53/136326253.db2.gz RCNVDDNQMNBQRC-UHFFFAOYSA-N 1 0 245.326 0.725 10 0 BCAERO CC(=O)NCCN1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037917679 187260731 /nfs/dbraw/zinc/26/07/31/187260731.db2.gz WZIUYPWNZWDJAB-OLZOCXBDSA-N 1 0 239.363 0.587 10 0 BCAERO CO[C@H]1C[NH2+][C@@H](C(=O)NCCc2ccccn2)C1 ZINC000040630953 343407819 /nfs/dbraw/zinc/40/78/19/343407819.db2.gz KYIOGJRGKJWQSH-VXGBXAGGSA-N 1 0 249.314 0.117 10 0 BCAERO CCC(=O)NC1CCN(C(=O)CCC[NH3+])CC1 ZINC000037814261 187260860 /nfs/dbraw/zinc/26/08/60/187260860.db2.gz MJKCQGISWISDOY-UHFFFAOYSA-N 1 0 241.335 0.243 10 0 BCAERO CCOC(=O)CCN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000082462951 343440180 /nfs/dbraw/zinc/44/01/80/343440180.db2.gz SSJSWOCGELJEGH-LLVKDONJSA-N 1 0 226.320 0.720 10 0 BCAERO OCCCCCN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000082462896 343440193 /nfs/dbraw/zinc/44/01/93/343440193.db2.gz VODULBSUOARCPU-GFCCVEGCSA-N 1 0 212.337 0.929 10 0 BCAERO CCN1CC[C@H](n2cc(C(C)(C)[NH3+])nn2)C1=O ZINC000641085124 362208604 /nfs/dbraw/zinc/20/86/04/362208604.db2.gz ARGLPAFALOJGNC-QMMMGPOBSA-N 1 0 237.307 0.265 10 0 BCAERO C[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)O2)C1C[NH2+]C1 ZINC000129302273 136372584 /nfs/dbraw/zinc/37/25/84/136372584.db2.gz SHMPHTAYPUVTPT-INTQDDNPSA-N 1 0 224.304 0.232 10 0 BCAERO [NH3+][C@H](C(=O)N[C@H]1CCCOC1)C1CCC1 ZINC000335654667 136376321 /nfs/dbraw/zinc/37/63/21/136376321.db2.gz YKRFDYKCNPKQNA-UWVGGRQHSA-N 1 0 212.293 0.409 10 0 BCAERO COC(=O)[C@@H]1C[C@H]2[C@@H](C(F)(F)F)[C@H]2N1 ZINC000043642232 343479602 /nfs/dbraw/zinc/47/96/02/343479602.db2.gz LIRVRIJXYGMRMG-AZGQCCRYSA-N 1 0 209.167 0.698 10 0 BCAERO C[C@H](NC(=O)[C@H]1CCC[NH2+]1)[C@H]1CCCO1 ZINC000157544730 133488099 /nfs/dbraw/zinc/48/80/99/133488099.db2.gz HSDGQMIVYIXKJI-IVZWLZJFSA-N 1 0 212.293 0.422 10 0 BCAERO COC(=O)CN1C[C@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000082725502 343461377 /nfs/dbraw/zinc/46/13/77/343461377.db2.gz ZQZLPVNGZRCIAX-WDEREUQCSA-N 1 0 226.320 0.718 10 0 BCAERO C[NH2+]CCC(=O)N1CCS[C@@H](C)C1 ZINC000083934567 343510448 /nfs/dbraw/zinc/51/04/48/343510448.db2.gz ANFVJNTXONORKP-QMMMGPOBSA-N 1 0 202.323 0.560 10 0 BCAERO [NH3+]CCN1CCCCC[C@@H]1c1cnno1 ZINC000616624983 343524885 /nfs/dbraw/zinc/52/48/85/343524885.db2.gz UGPXNRMGPKCFRV-SECBINFHSA-N 1 0 210.281 0.945 10 0 BCAERO [NH3+]CCN1C[C@H](CO)Nc2ccccc21 ZINC000616684605 343537733 /nfs/dbraw/zinc/53/77/33/343537733.db2.gz LJEJWFSWNIDOHR-SECBINFHSA-N 1 0 207.277 0.238 10 0 BCAERO COc1cc(N)ccc1N[C@@H]1C[NH2+]C[C@@H]1O ZINC000204076628 343557192 /nfs/dbraw/zinc/55/71/92/343557192.db2.gz DMNXNLJQDBPYAP-ZJUUUORDSA-N 1 0 223.276 0.022 10 0 BCAERO CC(=O)N1CCCN([C@@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000042681274 187266603 /nfs/dbraw/zinc/26/66/03/187266603.db2.gz QLNRGCPIBLIJMJ-QWHCGFSZSA-N 1 0 239.363 0.811 10 0 BCAERO CC(C)(C)[C@H](C[NH3+])N1CCC[C@H](O)C1 ZINC000043292638 187267504 /nfs/dbraw/zinc/26/75/04/187267504.db2.gz SFFQEUQDEDCSDU-UWVGGRQHSA-N 1 0 200.326 0.817 10 0 BCAERO CO[C@H]1C[NH2+][C@@H](C(=O)Nc2cccc(C#N)c2)C1 ZINC000379728476 343605992 /nfs/dbraw/zinc/60/59/92/343605992.db2.gz CDXOJUFLECTIPS-VXGBXAGGSA-N 1 0 245.282 0.874 10 0 BCAERO CC[N@@H+]1CCC[C@@H]1CN(C)[C@@H](C)C(=O)OC ZINC000086189128 343613691 /nfs/dbraw/zinc/61/36/91/343613691.db2.gz MKVOHJOMHWEDQK-WDEREUQCSA-N 1 0 228.336 0.964 10 0 BCAERO CN1CCC[C@H]1C[N@H+](C)CC(C)(C)O ZINC000086189532 343613730 /nfs/dbraw/zinc/61/37/30/343613730.db2.gz PNJHHULPRRGNCH-JTQLQIEISA-N 1 0 200.326 0.783 10 0 BCAERO CC[N@@H+]1CCC[C@H]1CN(C)CCCO ZINC000086189602 343613997 /nfs/dbraw/zinc/61/39/97/343613997.db2.gz YBGWQADZHUDRRZ-NSHDSACASA-N 1 0 200.326 0.785 10 0 BCAERO CC(C)(C)[C@@H](O)C[NH2+]Cc1cccnn1 ZINC000308802899 259367597 /nfs/dbraw/zinc/36/75/97/259367597.db2.gz NLQGFFDJIYXIQY-JTQLQIEISA-N 1 0 209.293 0.973 10 0 BCAERO COCCN(CC[NH3+])C(=O)NC(C)C ZINC000124284549 537798583 /nfs/dbraw/zinc/79/85/83/537798583.db2.gz QIYDFCREERRDDM-UHFFFAOYSA-N 1 0 203.286 0.012 10 0 BCAERO COC(=O)CCN1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000379800920 343629151 /nfs/dbraw/zinc/62/91/51/343629151.db2.gz MEHMSFDINSWKKK-VHSXEESVSA-N 1 0 212.293 0.233 10 0 BCAERO CCOCCCC(=O)N1CCC[C@@H]1C[NH3+] ZINC000087438722 343649266 /nfs/dbraw/zinc/64/92/66/343649266.db2.gz BKYIVGGLDWCZGB-SNVBAGLBSA-N 1 0 214.309 0.753 10 0 BCAERO COC[C@H]([NH3+])C(=O)Nc1ccc(F)cn1 ZINC000088004760 343687929 /nfs/dbraw/zinc/68/79/29/343687929.db2.gz HIUSICJZXIORND-ZETCQYMHSA-N 1 0 213.212 0.133 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N1CCCC[C@H]1C ZINC000088002130 343689581 /nfs/dbraw/zinc/68/95/81/343689581.db2.gz HWYDDNJIFNTNQD-RKDXNWHRSA-N 1 0 200.282 0.361 10 0 BCAERO CC(C)N1CCN(C(C)C)[C@H](C2=[NH+]CCN2)C1 ZINC000040724434 187271547 /nfs/dbraw/zinc/27/15/47/187271547.db2.gz UBLHYKNVKKEDSV-LBPRGKRZSA-N 1 0 238.379 0.791 10 0 BCAERO CSC[C@@H](O)C[N@H+]1[C@H](C)COC[C@@H]1C ZINC000187901759 259370232 /nfs/dbraw/zinc/37/02/32/259370232.db2.gz AGDNDJMLTYVSNP-AEJSXWLSSA-N 1 0 219.350 0.820 10 0 BCAERO C[C@@]12CC[NH2+][C@@H]1N(C=O)c1ccc(O)cc12 ZINC000309560600 343747372 /nfs/dbraw/zinc/74/73/72/343747372.db2.gz QKYUCCBRNGDGMX-NEPJUHHUSA-N 1 0 218.256 0.946 10 0 BCAERO CCOCC(=O)N1C[C@H](C)[C@H]([NH+](C)C)C1 ZINC000089710126 343748345 /nfs/dbraw/zinc/74/83/45/343748345.db2.gz NDNUOUBHFMROHX-VHSXEESVSA-N 1 0 214.309 0.431 10 0 BCAERO [NH3+][C@H]1CC(=O)N(CCc2nccs2)C1 ZINC000063135457 343749646 /nfs/dbraw/zinc/74/96/46/343749646.db2.gz SMBKJMAJIRGSNL-ZETCQYMHSA-N 1 0 211.290 0.245 10 0 BCAERO [NH3+][C@@H](CO)c1ccncc1Br ZINC000215481611 346978474 /nfs/dbraw/zinc/97/84/74/346978474.db2.gz YZPAIVRGYIBAIU-ZETCQYMHSA-N 1 0 217.066 0.836 10 0 BCAERO Cc1cccc(S(=O)(=O)CCOCC[NH3+])c1 ZINC000057534242 187272704 /nfs/dbraw/zinc/27/27/04/187272704.db2.gz DUGDNNUMTCEBFX-UHFFFAOYSA-N 1 0 243.328 0.744 10 0 BCAERO c1cnc(N2CC[C@@H]3[NH2+]CC[C@@H]3C2)cn1 ZINC000253182955 343796198 /nfs/dbraw/zinc/79/61/98/343796198.db2.gz JKWBOTHPAFWJIV-ZJUUUORDSA-N 1 0 204.277 0.665 10 0 BCAERO [NH3+][C@@H]1CCC2(C[C@@H]1n1ccnc1)OCCO2 ZINC000023072025 344038601 /nfs/dbraw/zinc/03/86/01/344038601.db2.gz WTWHZOQWAJDPKO-ZJUUUORDSA-N 1 0 223.276 0.679 10 0 BCAERO NN1CC[C@H](C(=O)OCc2ccccc2)C1 ZINC000215341135 349873857 /nfs/dbraw/zinc/87/38/57/349873857.db2.gz WMNBRBALNTWFCN-NSHDSACASA-N 1 0 220.272 0.925 10 0 BCAERO Cc1nc(N)sc1CN1CC[NH2+]CC1 ZINC000074536220 187277134 /nfs/dbraw/zinc/27/71/34/187277134.db2.gz RDGQZOJGHMNKCX-UHFFFAOYSA-N 1 0 212.322 0.439 10 0 BCAERO [NH3+][C@H]1CCC[C@@H]1C(=O)NCCc1cscn1 ZINC000082921931 133508616 /nfs/dbraw/zinc/50/86/16/133508616.db2.gz RXIRKZXCGUKCBU-UWVGGRQHSA-N 1 0 239.344 0.929 10 0 BCAERO CC1(C[NH2+][C@@H]2CCCN(CCO)C2)COC1 ZINC000393744856 343922601 /nfs/dbraw/zinc/92/26/01/343922601.db2.gz FKYXXTODPDSLRG-LLVKDONJSA-N 1 0 228.336 0.069 10 0 BCAERO [NH3+]Cc1nnc2ccc(Br)cn21 ZINC000036240529 343973773 /nfs/dbraw/zinc/97/37/73/343973773.db2.gz VUKQATUOQMWKJL-UHFFFAOYSA-N 1 0 227.065 0.951 10 0 BCAERO CC[N@@H+]1C[C@H](C)N(C(=O)C2C[NH2+]C2)C[C@H]1C ZINC000335894936 344045344 /nfs/dbraw/zinc/04/53/44/344045344.db2.gz DZGFTYVZMJAFKM-ZJUUUORDSA-N 1 0 225.336 0.147 10 0 BCAERO C[NH2+]CCC1CCN(C(=O)c2nc[nH]n2)CC1 ZINC000070189382 343949146 /nfs/dbraw/zinc/94/91/46/343949146.db2.gz OZVLROOONGAPLL-UHFFFAOYSA-N 1 0 237.307 0.266 10 0 BCAERO Cc1nnc(SC[C@@H]2C[NH2+]CCO2)o1 ZINC000070649861 343953199 /nfs/dbraw/zinc/95/31/99/343953199.db2.gz GWYJBYMHYSEKDW-ZETCQYMHSA-N 1 0 215.278 0.459 10 0 BCAERO C[NH2+][C@H](C)C(=O)Nc1nccc(Cl)n1 ZINC000234435004 343967230 /nfs/dbraw/zinc/96/72/30/343967230.db2.gz QMWBUNWPMWGQTQ-RXMQYKEDSA-N 1 0 214.656 0.676 10 0 BCAERO C[NH+](C)C1CCN(CC(N)=S)CC1 ZINC000036192180 343969687 /nfs/dbraw/zinc/96/96/87/343969687.db2.gz SPFDOXROJAIQHR-UHFFFAOYSA-N 1 0 201.339 0.299 10 0 BCAERO CC(C)[C@@H](C)[NH+]1C[C@@H](CO)[C@H](CO)C1 ZINC000625707909 344050685 /nfs/dbraw/zinc/05/06/85/344050685.db2.gz YFKMCJLUXKVGLA-VWYCJHECSA-N 1 0 201.310 0.564 10 0 BCAERO OCCN1CCC[C@@H]([NH2+]Cc2ccncc2)C1 ZINC000395087111 344064890 /nfs/dbraw/zinc/06/48/90/344064890.db2.gz YLWYNRFIRDNMBD-CYBMUJFWSA-N 1 0 235.331 0.628 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)N2CC[C@]3(CC[NH2+]C3)C2)O1 ZINC000155639939 344115517 /nfs/dbraw/zinc/11/55/17/344115517.db2.gz RXKAJIJCPIYZHX-WZRBSPASSA-N 1 0 238.331 0.766 10 0 BCAERO CCOC(=O)c1c2c(nn1CC[NH3+])CCCC2 ZINC000083262341 344142641 /nfs/dbraw/zinc/14/26/41/344142641.db2.gz AJIPBNDEGHZWLK-UHFFFAOYSA-N 1 0 237.303 0.897 10 0 BCAERO C(c1nnc2n1CCNC2)N1CCCCC1 ZINC000096259852 187288897 /nfs/dbraw/zinc/28/88/97/187288897.db2.gz ZDXUTEIGMFTKME-UHFFFAOYSA-N 1 0 221.308 0.367 10 0 BCAERO C[NH2+]CC(=O)N[C@@H]1CCOC(C)(C)C1 ZINC000215645052 349905357 /nfs/dbraw/zinc/90/53/57/349905357.db2.gz MTETWFWIRKNGQH-MRVPVSSYSA-N 1 0 200.282 0.280 10 0 BCAERO CCN(CC[NH3+])c1ccc(C(=O)OC)nn1 ZINC000165937858 344239957 /nfs/dbraw/zinc/23/99/57/344239957.db2.gz JMXGRPUKEJPRTR-UHFFFAOYSA-N 1 0 224.264 0.048 10 0 BCAERO CC1(C)C[C@H]([NH2+]C(CO)CO)C(C)(C)O1 ZINC000086927510 344225816 /nfs/dbraw/zinc/22/58/16/344225816.db2.gz QMJWZKMPMHVGAY-VIFPVBQESA-N 1 0 217.309 0.275 10 0 BCAERO O=C(C1CCC1)N1CCC2(C[NH2+]C2)CC1 ZINC000616572331 344183550 /nfs/dbraw/zinc/18/35/50/344183550.db2.gz RKKCZUGPDKMFOI-UHFFFAOYSA-N 1 0 208.305 0.999 10 0 BCAERO O=C(C1CCOCC1)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000616573078 344184248 /nfs/dbraw/zinc/18/42/48/344184248.db2.gz WKLLKYOCZMYGIS-VXGBXAGGSA-N 1 0 238.331 0.766 10 0 BCAERO COC[C@H](CO)[NH2+]CCNC(=O)OC(C)(C)C ZINC000234783521 344258000 /nfs/dbraw/zinc/25/80/00/344258000.db2.gz PGVGUUQZPRWGBF-VIFPVBQESA-N 1 0 248.323 0.108 10 0 BCAERO C[NH2+][C@H](C)C(=O)N[C@H](C)C1CCOCC1 ZINC000224058176 344275143 /nfs/dbraw/zinc/27/51/43/344275143.db2.gz FNRZGUIJSUAKBR-RKDXNWHRSA-N 1 0 214.309 0.526 10 0 BCAERO CCOC(=O)[C@H]1C[NH2+]CCN1C(C)C ZINC000039018399 344278967 /nfs/dbraw/zinc/27/89/67/344278967.db2.gz UXGULSVTGHOHMG-SECBINFHSA-N 1 0 200.282 0.232 10 0 BCAERO O=C(NC/C=C\CO)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634771996 344287612 /nfs/dbraw/zinc/28/76/12/344287612.db2.gz QTXCVPPZTPHOFD-MSRAEHDGSA-N 1 0 224.304 0.041 10 0 BCAERO O=C(N1C[C@@H]2C[C@@H]2C1)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634772575 344288862 /nfs/dbraw/zinc/28/88/62/344288862.db2.gz RMNBEVSOBLAEMO-NOHGZBONSA-N 1 0 220.316 0.854 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N1C[C@@H]2COC[C@@H]2C1 ZINC000634774289 344293732 /nfs/dbraw/zinc/29/37/32/344293732.db2.gz LGRXHOOELYZMQC-YFKTTZPYSA-N 1 0 238.331 0.466 10 0 BCAERO Cc1nnc2c(N3C[C@H]([NH3+])C[C@@H]3C)nccn12 ZINC000385084852 344320767 /nfs/dbraw/zinc/32/07/67/344320767.db2.gz HXKAILGWEOQNPL-IONNQARKSA-N 1 0 232.291 0.359 10 0 BCAERO Cc1nnc2c(N3C[C@@H]([NH3+])C[C@@H]3C)nccn12 ZINC000385084850 344320887 /nfs/dbraw/zinc/32/08/87/344320887.db2.gz HXKAILGWEOQNPL-CBAPKCEASA-N 1 0 232.291 0.359 10 0 BCAERO CC(C)c1noc(N(C)[C@@H]2CC[NH2+]C2)n1 ZINC000107211560 344327305 /nfs/dbraw/zinc/32/73/05/344327305.db2.gz XPMBREUTBLNTTE-MRVPVSSYSA-N 1 0 210.281 0.991 10 0 BCAERO CCN1C(=O)N[C@@](C)([C@@H]2CCC[NH2+]C2)C1=O ZINC000095218395 344334082 /nfs/dbraw/zinc/33/40/82/344334082.db2.gz YTIDCJLGUMDVAB-KCJUWKMLSA-N 1 0 225.292 0.316 10 0 BCAERO OCCN1CC[NH2+]C[C@H]1c1ccncc1 ZINC000220513987 344334095 /nfs/dbraw/zinc/33/40/95/344334095.db2.gz ZFTBCYWVTWNPFQ-NSHDSACASA-N 1 0 207.277 0.020 10 0 BCAERO Cc1oncc1C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000041028284 187290689 /nfs/dbraw/zinc/29/06/89/187290689.db2.gz MLZAXKGHHNEXCQ-MRVPVSSYSA-N 1 0 209.249 0.546 10 0 BCAERO [NH3+][C@@H](CO)[C@@H](O)c1ccc(F)cc1Cl ZINC000236299317 344354287 /nfs/dbraw/zinc/35/42/87/344354287.db2.gz KQLSAQHTMIJRSH-IUCAKERBSA-N 1 0 219.643 0.832 10 0 BCAERO [NH3+][C@H](CC1OCCO1)C1CCOCC1 ZINC000236316420 344355336 /nfs/dbraw/zinc/35/53/36/344355336.db2.gz NWMVCJSIKNXMPN-SECBINFHSA-N 1 0 201.266 0.503 10 0 BCAERO CC(C)(O)CN1CC[NH+](CC(C)(C)O)CC1 ZINC000059157331 344355631 /nfs/dbraw/zinc/35/56/31/344355631.db2.gz XZMHZGWYXIYTDI-UHFFFAOYSA-N 1 0 230.352 0.146 10 0 BCAERO COC(=O)CCCCN1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000600710278 344360870 /nfs/dbraw/zinc/36/08/70/344360870.db2.gz MZXVXJLUHIAZHD-ZJUUUORDSA-N 1 0 214.309 0.609 10 0 BCAERO C[C@H]1C[C@H]([NH3+])CN1c1ncnc2nc[nH]c21 ZINC000385199963 344371497 /nfs/dbraw/zinc/37/14/97/344371497.db2.gz QUCHEUXBYPERPP-BQBZGAKWSA-N 1 0 218.264 0.279 10 0 BCAERO C[C@H]1CN(c2ncnc3c2ncn3C)C[C@@H]1C[NH3+] ZINC000634812791 344397371 /nfs/dbraw/zinc/39/73/71/344397371.db2.gz RASDJIVZXZLGMQ-IUCAKERBSA-N 1 0 246.318 0.394 10 0 BCAERO C[C@@H]1CN(c2ncnc3c2ncn3C)C[C@@H]1C[NH3+] ZINC000634812789 344397594 /nfs/dbraw/zinc/39/75/94/344397594.db2.gz RASDJIVZXZLGMQ-BDAKNGLRSA-N 1 0 246.318 0.394 10 0 BCAERO CC[N@H+](C)[C@H]1CC2(CC[C@@H]1O)OCCO2 ZINC000044127798 344398180 /nfs/dbraw/zinc/39/81/80/344398180.db2.gz ITRSHCJPSRSOHR-UWVGGRQHSA-N 1 0 215.293 0.595 10 0 BCAERO CSCCNC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000084311054 344418678 /nfs/dbraw/zinc/41/86/78/344418678.db2.gz MIBJOQOMKKRFOL-DTWKUNHWSA-N 1 0 216.350 0.841 10 0 BCAERO CC(C)C[C@H]([NH3+])C(=O)N1CCC[C@@H]1CO ZINC000042434914 187291427 /nfs/dbraw/zinc/29/14/27/187291427.db2.gz HXNYCZDZOWNKOL-ZJUUUORDSA-N 1 0 214.309 0.343 10 0 BCAERO CC[N@@H+]1CC[C@H](Nc2ncncc2C#N)C1 ZINC000389335246 344460232 /nfs/dbraw/zinc/46/02/32/344460232.db2.gz QXVPHVAKDIZPDB-JTQLQIEISA-N 1 0 217.276 0.276 10 0 BCAERO c1cn2c(n1)CC[C@@H]([NH2+]C1CCOCC1)C2 ZINC000381529186 344518175 /nfs/dbraw/zinc/51/81/75/344518175.db2.gz YFKCOXLZHHOSHZ-LLVKDONJSA-N 1 0 221.304 0.967 10 0 BCAERO CSCCNC(=O)C[C@H]1CCC[NH2+]C1 ZINC000069013722 344537348 /nfs/dbraw/zinc/53/73/48/344537348.db2.gz WVQKMEUUUVUFRE-SECBINFHSA-N 1 0 216.350 0.855 10 0 BCAERO OCCN1CC[NH2+]C[C@@H]1c1ccncc1 ZINC000220514060 344543843 /nfs/dbraw/zinc/54/38/43/344543843.db2.gz ZFTBCYWVTWNPFQ-LLVKDONJSA-N 1 0 207.277 0.020 10 0 BCAERO COC(=O)[C@H](NC[C@H]1CCC[N@@H+]1C)C1CC1 ZINC000225829845 344565264 /nfs/dbraw/zinc/56/52/64/344565264.db2.gz YUIICVUZXBZLAE-GHMZBOCLSA-N 1 0 226.320 0.622 10 0 BCAERO COC(=O)[C@@H](NC[C@H]1CCC[N@@H+]1C)C1CC1 ZINC000225829835 344565273 /nfs/dbraw/zinc/56/52/73/344565273.db2.gz YUIICVUZXBZLAE-MNOVXSKESA-N 1 0 226.320 0.622 10 0 BCAERO C[C@@H]([NH2+]C[C@H]1CCCCO1)C(=O)N(C)C ZINC000042320002 187291606 /nfs/dbraw/zinc/29/16/06/187291606.db2.gz QBOHDCBYPBJGHZ-NXEZZACHSA-N 1 0 214.309 0.622 10 0 BCAERO CC(C)N(C)C1(C[NH3+])CCS(=O)(=O)CC1 ZINC000042332187 187291663 /nfs/dbraw/zinc/29/16/63/187291663.db2.gz WNWHUAGILAGBQM-UHFFFAOYSA-N 1 0 234.365 0.233 10 0 BCAERO C[NH2+]C[C@H](O)c1cccc(OC(C)=O)c1 ZINC000504568983 530000010 /nfs/dbraw/zinc/00/00/10/530000010.db2.gz HBDKUNQGGSGCMV-NSHDSACASA-N 1 0 209.245 0.865 10 0 BCAERO [NH3+][C@H]1CCN([C@H]2CCCSC2)C1=O ZINC000220772303 344581041 /nfs/dbraw/zinc/58/10/41/344581041.db2.gz LDFIYCBYOGUASU-YUMQZZPRSA-N 1 0 200.307 0.442 10 0 BCAERO C[C@H]1C[C@H](N2CCC(=O)C2=O)CC[N@@H+]1C ZINC000158290750 344581348 /nfs/dbraw/zinc/58/13/48/344581348.db2.gz LLJCYUVKPKSLOK-DTWKUNHWSA-N 1 0 210.277 0.271 10 0 BCAERO O=C1CCN([C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000158285721 344582374 /nfs/dbraw/zinc/58/23/74/344582374.db2.gz OLXOUKVZXFOBBS-MNOVXSKESA-N 1 0 208.305 0.888 10 0 BCAERO CNC(=O)[C@H](C)O[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000050211697 344657491 /nfs/dbraw/zinc/65/74/91/344657491.db2.gz YYVLBLMVRUQQCV-VGMNWLOBSA-N 1 0 200.282 0.278 10 0 BCAERO CCCCOC[C@H](O)C[N@@H+]1C[C@@H](O)C(C)(C)C1 ZINC000387752953 347065340 /nfs/dbraw/zinc/06/53/40/347065340.db2.gz BLISIMJFSZOIDJ-VXGBXAGGSA-N 1 0 245.363 0.867 10 0 BCAERO Cc1ccc(N(C)C[C@@H]2CCC[NH2+]2)nn1 ZINC000095070910 178697845 /nfs/dbraw/zinc/69/78/45/178697845.db2.gz MXCMQHLOHUHXAK-JTQLQIEISA-N 1 0 206.293 0.973 10 0 BCAERO O=[S@@]1CCC[NH2+][C@H]([C@@H]2CCOC2)C1 ZINC000158681206 344720701 /nfs/dbraw/zinc/72/07/01/344720701.db2.gz SKMMDYCBRHMCBX-ZDMBXUJBSA-N 1 0 203.307 0.134 10 0 BCAERO CC[N@@H+]1CCC[C@H](NCc2ncc[nH]2)C1 ZINC000049715642 344683157 /nfs/dbraw/zinc/68/31/57/344683157.db2.gz OKHCFZZBXTUXMA-JTQLQIEISA-N 1 0 208.309 0.984 10 0 BCAERO C[C@H](C[N@H+](CCO)Cc1ccccc1)C(N)=O ZINC000050515353 344704044 /nfs/dbraw/zinc/70/40/44/344704044.db2.gz QFHFDBMYKJYQFM-LLVKDONJSA-N 1 0 236.315 0.602 10 0 BCAERO CSC1(CN2CCC[C@@H]([NH3+])C2=O)CC1 ZINC000235052297 344753930 /nfs/dbraw/zinc/75/39/30/344753930.db2.gz FRTHESVBQVRZPJ-MRVPVSSYSA-N 1 0 214.334 0.832 10 0 BCAERO CSC1(CN2CC[C@@H]([NH3+])C2=O)CC1 ZINC000235056739 344754447 /nfs/dbraw/zinc/75/44/47/344754447.db2.gz SRSWWZLSYZCJJV-SSDOTTSWSA-N 1 0 200.307 0.442 10 0 BCAERO CC1(C)NC(=O)N(C[C@H]2CCC[NH2+]2)C1=O ZINC000043495850 187293076 /nfs/dbraw/zinc/29/30/76/187293076.db2.gz FHVTWTAETCWODE-SSDOTTSWSA-N 1 0 211.265 0.069 10 0 BCAERO CCC1(O)CC[NH+](CC(C)(C)O)CC1 ZINC000075859461 344786098 /nfs/dbraw/zinc/78/60/98/344786098.db2.gz ZWZXGXWFTKHVOS-UHFFFAOYSA-N 1 0 201.310 0.994 10 0 BCAERO COC(=O)c1cncc(NCC[C@H](C)[NH3+])n1 ZINC000085693721 347077621 /nfs/dbraw/zinc/07/76/21/347077621.db2.gz QNVTZURAPTYFDJ-ZETCQYMHSA-N 1 0 224.264 0.412 10 0 BCAERO O=c1cc(Cl)ncn1CC[NH+]1CCCC1 ZINC000166247083 344821511 /nfs/dbraw/zinc/82/15/11/344821511.db2.gz PWISZZLFYNPUFB-UHFFFAOYSA-N 1 0 227.695 0.993 10 0 BCAERO CCCC(=O)N(C1C[NH2+]C1)[C@H]1CCOC1 ZINC000675068854 537862770 /nfs/dbraw/zinc/86/27/70/537862770.db2.gz FCXIEECZNHUUNL-VIFPVBQESA-N 1 0 212.293 0.376 10 0 BCAERO C[C@@H]([NH3+])C(=O)Nc1cc(Cl)ncn1 ZINC000235158143 344819577 /nfs/dbraw/zinc/81/95/77/344819577.db2.gz IMMIFHAMTPARFA-SCSAIBSYSA-N 1 0 200.629 0.416 10 0 BCAERO O=C(Nc1cnns1)[C@H]1CCC[NH2+]C1 ZINC000166281567 344839990 /nfs/dbraw/zinc/83/99/90/344839990.db2.gz YDVGJWFMVUIGFC-LURJTMIESA-N 1 0 212.278 0.476 10 0 BCAERO Cc1cc(Cl)nc(NC(=O)[C@@H](C)[NH3+])n1 ZINC000235159838 344824932 /nfs/dbraw/zinc/82/49/32/344824932.db2.gz APCPDOAYNNCUII-RXMQYKEDSA-N 1 0 214.656 0.724 10 0 BCAERO C[NH2+][C@H](C(N)=O)[C@@H](C)n1cc(C)nc1C ZINC000715107905 537863640 /nfs/dbraw/zinc/86/36/40/537863640.db2.gz NDYTWFARFRNRBJ-APPZFPTMSA-N 1 0 210.281 0.134 10 0 BCAERO CC1=CCN(S(=O)(=O)[C@H](C)C[NH3+])CC1 ZINC000166300258 344846556 /nfs/dbraw/zinc/84/65/56/344846556.db2.gz SZTDCUREQCLMGH-SECBINFHSA-N 1 0 218.322 0.315 10 0 BCAERO CC(C)C[C@@H]([NH3+])C(=O)Nc1cnns1 ZINC000166301613 344846781 /nfs/dbraw/zinc/84/67/81/344846781.db2.gz SMIRVHREJMSSIF-ZCFIWIBFSA-N 1 0 214.294 0.850 10 0 BCAERO CC(C)CNC(=O)N1CC2(C1)CC[NH2+]C2 ZINC000675053392 537866405 /nfs/dbraw/zinc/86/64/05/537866405.db2.gz JNZOUNUQEDLVAK-UHFFFAOYSA-N 1 0 211.309 0.647 10 0 BCAERO CC(C)(C)[C@H]([NH3+])C(=O)Nc1nnns1 ZINC000166327163 344858282 /nfs/dbraw/zinc/85/82/82/344858282.db2.gz YUOQPBVLTBLHOM-SCSAIBSYSA-N 1 0 215.282 0.245 10 0 BCAERO CC(C)NC(=O)CC[N@@H+]1CCC[C@H](O)[C@H]1C ZINC000385070818 344860363 /nfs/dbraw/zinc/86/03/63/344860363.db2.gz VRNQWBCLZONWMF-MNOVXSKESA-N 1 0 228.336 0.746 10 0 BCAERO CC(C)C[C@@H]([NH3+])C(=O)Nc1nnns1 ZINC000166340949 344862296 /nfs/dbraw/zinc/86/22/96/344862296.db2.gz WPODLTAVTXTFRK-RXMQYKEDSA-N 1 0 215.282 0.245 10 0 BCAERO C[C@]1(C(=O)Nc2nnns2)CCC[NH2+]1 ZINC000166348016 344870265 /nfs/dbraw/zinc/87/02/65/344870265.db2.gz MWZYSXUOPVFYGA-SSDOTTSWSA-N 1 0 213.266 0.014 10 0 BCAERO Cn1cncc1C[NH2+][C@H]1CCC[C@@H](O)C1 ZINC000082394454 344906706 /nfs/dbraw/zinc/90/67/06/344906706.db2.gz ZWMZSBVNWALJDE-GXSJLCMTSA-N 1 0 209.293 0.813 10 0 BCAERO [NH3+]C[C@@]1([C@H]2CCS(=O)(=O)C2)CCCS1 ZINC000166487080 344907302 /nfs/dbraw/zinc/90/73/02/344907302.db2.gz BAOQVWYDJHIWKD-DTWKUNHWSA-N 1 0 235.374 0.646 10 0 BCAERO Cc1c(Cl)cnn1CC[C@](C)([NH3+])C(N)=O ZINC000070704384 537880177 /nfs/dbraw/zinc/88/01/77/537880177.db2.gz PRHMQJIDCLHLEQ-VIFPVBQESA-N 1 0 230.699 0.438 10 0 BCAERO COC(=O)[C@H]([NH3+])CCn1ncc(Cl)c1C ZINC000070704598 537880308 /nfs/dbraw/zinc/88/03/08/537880308.db2.gz QHPNHZJBMNXVHY-MRVPVSSYSA-N 1 0 231.683 0.735 10 0 BCAERO Cc1ccnn1CCC[C@@](C)([NH3+])C(N)=O ZINC000070687178 537878242 /nfs/dbraw/zinc/87/82/42/537878242.db2.gz NSHWRMHVNUYWIF-SNVBAGLBSA-N 1 0 210.281 0.174 10 0 BCAERO C[N@H+](CC(N)=S)[C@@H]1CCCC[C@@H]1O ZINC000166627907 344947283 /nfs/dbraw/zinc/94/72/83/344947283.db2.gz MODLRRSOHBSZAQ-SFYZADRCSA-N 1 0 202.323 0.508 10 0 BCAERO COC(=O)c1cncc(N2C[C@H]([NH3+])C[C@@H]2C)n1 ZINC000600963688 344949074 /nfs/dbraw/zinc/94/90/74/344949074.db2.gz YOYAHBLPYMTWDN-JGVFFNPUSA-N 1 0 236.275 0.189 10 0 BCAERO Cc1cc(Cn2cc[nH+]c2N)c(C)nn1 ZINC000720573789 537883701 /nfs/dbraw/zinc/88/37/01/537883701.db2.gz GXLSOHNXSDASAH-UHFFFAOYSA-N 1 0 203.249 0.920 10 0 BCAERO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)[C@H]1CC[NH2+]C1 ZINC000246238250 187297915 /nfs/dbraw/zinc/29/79/15/187297915.db2.gz IKRWYFOXOSLZAH-NEPJUHHUSA-N 1 0 239.363 0.396 10 0 BCAERO OCCc1ccccc1[C@@H]1C[NH2+]CCN1 ZINC000044381615 345046423 /nfs/dbraw/zinc/04/64/23/345046423.db2.gz FZBVQZARDPGCJN-LBPRGKRZSA-N 1 0 206.289 0.455 10 0 BCAERO C[C@H]1CCCN(S(=O)(=O)C2CC2)[C@@H]1[NH3+] ZINC000235674602 345014558 /nfs/dbraw/zinc/01/45/58/345014558.db2.gz TUFRNTXVMHTQFW-CBAPKCEASA-N 1 0 218.322 0.495 10 0 BCAERO Cc1cccc(CN2C[C@H]3OCCN(C)[C@H]3C2)n1 ZINC000248045693 345024867 /nfs/dbraw/zinc/02/48/67/345024867.db2.gz PTFLXZBUASMEJH-UONOGXRCSA-N 1 0 247.342 0.905 10 0 BCAERO CC(=O)CCN1CCO[C@@H](C[NH+](C)C)C1 ZINC000155302088 345076441 /nfs/dbraw/zinc/07/64/41/345076441.db2.gz SSJHKFBHOZUIJX-NSHDSACASA-N 1 0 214.309 0.228 10 0 BCAERO CCOC(=O)C(C)(C)NC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000155502747 345082700 /nfs/dbraw/zinc/08/27/00/345082700.db2.gz PNTPQSMPNZYRAW-BDAKNGLRSA-N 1 0 242.319 0.572 10 0 BCAERO C[C@H](C[NH3+])S(=O)(=O)c1cccs1 ZINC000011896608 345057471 /nfs/dbraw/zinc/05/74/71/345057471.db2.gz RBHCSBKYMWVUCK-ZCFIWIBFSA-N 1 0 205.304 0.869 10 0 BCAERO COCCC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000155576897 345088689 /nfs/dbraw/zinc/08/86/89/345088689.db2.gz FOCGDCFVNOCYPA-MNOVXSKESA-N 1 0 228.336 0.868 10 0 BCAERO N[C@@H](C[NH3+])c1cccnc1Br ZINC000044472415 345090641 /nfs/dbraw/zinc/09/06/41/345090641.db2.gz LNTKSFZKLBTATG-LURJTMIESA-N 1 0 216.082 0.803 10 0 BCAERO C[C@H]1CN(C(=O)C[C@H]2C[NH2+]CCO2)CCS1 ZINC000155694195 345096722 /nfs/dbraw/zinc/09/67/22/345096722.db2.gz ZJQQJKROHCHTRP-UWVGGRQHSA-N 1 0 244.360 0.329 10 0 BCAERO C[N@H+](C1CCC1)[C@H]1CC[C@@](N)(C(N)=O)C1 ZINC000221406753 345097541 /nfs/dbraw/zinc/09/75/41/345097541.db2.gz WDAAGDDLRPINJM-ONGXEEELSA-N 1 0 211.309 0.206 10 0 BCAERO COC(=O)[C@H](C)NC[C@H]1C[NH2+]CC12CC2 ZINC000675076091 537889664 /nfs/dbraw/zinc/88/96/64/537889664.db2.gz YRGFIFDIPFEBNS-DTWKUNHWSA-N 1 0 212.293 0.137 10 0 BCAERO C[NH2+][C@H](C)C(=O)N[C@H]1CCCOCC1 ZINC000307171610 345136559 /nfs/dbraw/zinc/13/65/59/345136559.db2.gz LVNBLOMUSABOAQ-BDAKNGLRSA-N 1 0 200.282 0.280 10 0 BCAERO CCCc1cnn(C[C@@](C)([NH3+])C(N)=O)c1 ZINC000402063947 537890071 /nfs/dbraw/zinc/89/00/71/537890071.db2.gz HOSYIUCMBPYYIT-SNVBAGLBSA-N 1 0 210.281 0.038 10 0 BCAERO C[C@@H]1C[C@@H](C(F)F)N2[NH+]=C(N)NC2=N1 ZINC000720939857 537891755 /nfs/dbraw/zinc/89/17/55/537891755.db2.gz GAFFPTDUQIMKAP-DMTCNVIQSA-N 1 0 203.196 0.113 10 0 BCAERO C[C@@H]1C[C@H](C(F)F)N2NC(CC[NH3+])=NC2=N1 ZINC000720941992 537892346 /nfs/dbraw/zinc/89/23/46/537892346.db2.gz SITCJKUFAWCXLI-PHDIDXHHSA-N 1 0 231.250 0.336 10 0 BCAERO COc1cc(OC)nc(NC[C@@H]([NH3+])C2CC2)n1 ZINC000158326123 345320557 /nfs/dbraw/zinc/32/05/57/345320557.db2.gz TYRZBPGOEDHYIU-MRVPVSSYSA-N 1 0 238.291 0.643 10 0 BCAERO C[NH2+]CCCN(C)Cc1c(C)nn(C)c1OC ZINC000158510136 345342444 /nfs/dbraw/zinc/34/24/44/345342444.db2.gz OGXMQBAJIBQBBJ-UHFFFAOYSA-N 1 0 240.351 0.778 10 0 BCAERO Nc1ncccc1CC1=C[C@H](O)C[NH2+]C1 ZINC000675077760 537895547 /nfs/dbraw/zinc/89/55/47/537895547.db2.gz RGDHLIMUWBNRCJ-JTQLQIEISA-N 1 0 205.261 0.097 10 0 BCAERO C[C@@H]([NH3+])[C@H]1CN(C(=O)C(F)(F)F)CCO1 ZINC000133027542 345356845 /nfs/dbraw/zinc/35/68/45/345356845.db2.gz IOLRABWUHALLBI-PHDIDXHHSA-N 1 0 226.198 0.123 10 0 BCAERO [NH3+][C@@H]1CCN(C[C@@H]2CCSC2)C1=O ZINC000228576501 345367376 /nfs/dbraw/zinc/36/73/76/345367376.db2.gz YFIDUZMFCJKUMI-JGVFFNPUSA-N 1 0 200.307 0.299 10 0 BCAERO [NH3+][C@@H]1CCCN(C[C@H]2CCSC2)C1=O ZINC000228613870 345373131 /nfs/dbraw/zinc/37/31/31/345373131.db2.gz PGVUIEHTOUFUEF-RKDXNWHRSA-N 1 0 214.334 0.689 10 0 BCAERO Cc1c(NCC(F)F)nc[nH+]c1NN ZINC000148242775 345382913 /nfs/dbraw/zinc/38/29/13/345382913.db2.gz UGRSMTJXYUGIGD-UHFFFAOYSA-N 1 0 203.196 0.748 10 0 BCAERO C[C@@H]([NH3+])Cc1nc2c(c(=O)[nH]1)CSC2 ZINC000134654505 345418526 /nfs/dbraw/zinc/41/85/26/345418526.db2.gz AIUBZVPXNMFKRU-RXMQYKEDSA-N 1 0 211.290 0.406 10 0 BCAERO CS[C@H]1C[NH2+]C[C@@H]1N1CCCOCC1 ZINC000134899073 345425462 /nfs/dbraw/zinc/42/54/62/345425462.db2.gz ULJLYWWLHKACAV-UWVGGRQHSA-N 1 0 216.350 0.412 10 0 BCAERO CCSc1nc[nH+]c(NN)c1OC ZINC000135015119 345429399 /nfs/dbraw/zinc/42/93/99/345429399.db2.gz GFAMNXCXQLCLCL-UHFFFAOYSA-N 1 0 200.267 0.883 10 0 BCAERO Cc1nn(C)c(Cl)c1C[C@H](O)C[NH3+] ZINC000135141405 345433668 /nfs/dbraw/zinc/43/36/68/345433668.db2.gz JAKNNXJZKBSXDZ-LURJTMIESA-N 1 0 203.673 0.244 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N(C)Cc1ccc(C)cc1 ZINC000159591080 345444639 /nfs/dbraw/zinc/44/46/39/345444639.db2.gz DYINWNYTKRXIEN-GFCCVEGCSA-N 1 0 236.315 0.927 10 0 BCAERO COC(=O)[C@@H](NC(=O)C[C@@H]([NH3+])C(C)C)C(C)C ZINC000136345101 345505705 /nfs/dbraw/zinc/50/57/05/345505705.db2.gz HYQAVEFWPZXJFN-KOLCDFICSA-N 1 0 244.335 0.674 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N(C)CCc1ccncc1 ZINC000159700444 345472020 /nfs/dbraw/zinc/47/20/20/345472020.db2.gz UXGNRAJRBLLMQA-LLVKDONJSA-N 1 0 237.303 0.056 10 0 BCAERO CCOC[C@H](O)C[NH2+][C@H](CO)CC(C)C ZINC000068951604 349931705 /nfs/dbraw/zinc/93/17/05/349931705.db2.gz JPCLNUPVEWKDAW-WDEREUQCSA-N 1 0 219.325 0.380 10 0 BCAERO CCOC[C@@H](O)C[NH2+][C@H](CO)CC(C)C ZINC000068951605 349931743 /nfs/dbraw/zinc/93/17/43/349931743.db2.gz JPCLNUPVEWKDAW-QWRGUYRKSA-N 1 0 219.325 0.380 10 0 BCAERO C[C@@H]1COC[C@H](C)[N@H+]1CC1(CO)COC1 ZINC000089129568 345549103 /nfs/dbraw/zinc/54/91/03/345549103.db2.gz XSWIKVMPPYHILR-AOOOYVTPSA-N 1 0 215.293 0.105 10 0 BCAERO C[NH2+][C@@H]1CCCCC[C@@H]1S(C)(=O)=O ZINC000054930192 345563041 /nfs/dbraw/zinc/56/30/41/345563041.db2.gz KKZKBPRUPCQFOI-BDAKNGLRSA-N 1 0 205.323 0.952 10 0 BCAERO COC[C@@H]([NH3+])C(=O)Nc1ccc(F)cc1OC ZINC000159855849 345570551 /nfs/dbraw/zinc/57/05/51/345570551.db2.gz WVYXFZWVTKASAD-MRVPVSSYSA-N 1 0 242.250 0.747 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N(C)[C@@H](C)c1ccncc1 ZINC000159764330 345516667 /nfs/dbraw/zinc/51/66/67/345516667.db2.gz ZBAJGCCYIDMBEZ-GXSJLCMTSA-N 1 0 237.303 0.575 10 0 BCAERO COC[C@H]([NH3+])c1cnnn1CCSC ZINC000675079220 537900263 /nfs/dbraw/zinc/90/02/63/537900263.db2.gz BEZJNNOMIZNREV-ZETCQYMHSA-N 1 0 216.310 0.287 10 0 BCAERO Cc1ccc([C@H](C(N)=O)N2CCC[NH2+]CC2)cc1 ZINC000037943832 178882040 /nfs/dbraw/zinc/88/20/40/178882040.db2.gz VMDKQDHPURBBPD-CYBMUJFWSA-N 1 0 247.342 0.817 10 0 BCAERO CC1CC(C(=O)NC[C@H]2C[NH2+]CCCO2)C1 ZINC000563115451 323093450 /nfs/dbraw/zinc/09/34/50/323093450.db2.gz CHOBDZVYMCSQAG-VQXHTEKXSA-N 1 0 226.320 0.527 10 0 BCAERO COC[C@H]([NH3+])C(=O)N1CCCc2ccccc2C1 ZINC000159913946 345644942 /nfs/dbraw/zinc/64/49/42/345644942.db2.gz VHNHCOZYIKWHKN-ZDUSSCGKSA-N 1 0 248.326 0.935 10 0 BCAERO Cc1ccc([C@H](CO)N2CC[NH2+]CC2)cc1 ZINC000038120810 178905038 /nfs/dbraw/zinc/90/50/38/178905038.db2.gz UAPJRQLNNXDWLN-ZDUSSCGKSA-N 1 0 220.316 0.934 10 0 BCAERO CNC(=O)[C@@]1(C)CC[N@@H+]([C@@H](C)C(C)=O)C1 ZINC000230908897 349936634 /nfs/dbraw/zinc/93/66/34/349936634.db2.gz WEVZURSWCQHZRE-KWQFWETISA-N 1 0 212.293 0.422 10 0 BCAERO [NH3+]C1(C(=O)NC[C@@H]2CCCC[C@@H]2O)CC1 ZINC000083836490 133561376 /nfs/dbraw/zinc/56/13/76/133561376.db2.gz JYAKOAQRWYFEIC-IUCAKERBSA-N 1 0 212.293 0.145 10 0 BCAERO CC(C)(C)OC(=O)CC[C@@H]1C[NH2+]CCN1 ZINC000168442920 345815457 /nfs/dbraw/zinc/81/54/57/345815457.db2.gz MFAWWKSDPGAERE-SECBINFHSA-N 1 0 214.309 0.670 10 0 BCAERO C[C@@H]([NH3+])Cc1[nH]nc2ccc3c(c21)C[C@@H](O)CO3 ZINC000034028145 345815519 /nfs/dbraw/zinc/81/55/19/345815519.db2.gz BDBRDIOLDIDDBC-HTQZYQBOSA-N 1 0 247.298 0.748 10 0 BCAERO CC(C)N(C)C(=O)CN1C[C@H](C[NH3+])C[C@H]1C ZINC000126975819 187359854 /nfs/dbraw/zinc/35/98/54/187359854.db2.gz SAYIPUFGFZZASO-MNOVXSKESA-N 1 0 227.352 0.522 10 0 BCAERO CC1(C(=O)NC2CCN(CC[NH3+])CC2)CC1 ZINC000309295602 537910916 /nfs/dbraw/zinc/91/09/16/537910916.db2.gz KTBNFIIIAKEYOE-UHFFFAOYSA-N 1 0 225.336 0.326 10 0 BCAERO C[C@H](C[NH3+])[C@@H](O)c1c(Br)cnn1C ZINC000306180146 537912020 /nfs/dbraw/zinc/91/20/20/537912020.db2.gz XRAHEXHOBXWZNR-SVGQVSJJSA-N 1 0 248.124 0.811 10 0 BCAERO CC[C@@H]([NH2+]C)[C@H]1CCCCS1(=O)=O ZINC000166802152 345826017 /nfs/dbraw/zinc/82/60/17/345826017.db2.gz GEJHATYXWCJQJX-RKDXNWHRSA-N 1 0 205.323 0.952 10 0 BCAERO CC(C)(C)OC(=O)N(CCO)[C@H]1CCC[NH2+]C1 ZINC000143559386 345904746 /nfs/dbraw/zinc/90/47/46/345904746.db2.gz NLBBFJQLZMXRSC-JTQLQIEISA-N 1 0 244.335 0.968 10 0 BCAERO CCS(=O)(=O)[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000082790006 537922214 /nfs/dbraw/zinc/92/22/14/537922214.db2.gz FPFRFDPHNUEWIF-RKDXNWHRSA-N 1 0 205.323 0.939 10 0 BCAERO C[C@H]([NH3+])CCNc1ncccc1S(C)(=O)=O ZINC000166948314 345963567 /nfs/dbraw/zinc/96/35/67/345963567.db2.gz HHEOYHCXJMJMBY-QMMMGPOBSA-N 1 0 243.332 0.634 10 0 BCAERO Cc1nccn1[C@@H](C)C[C@](C)([NH3+])C(N)=O ZINC000082800203 537924361 /nfs/dbraw/zinc/92/43/61/537924361.db2.gz IHNXAIDRLIKQQV-XVKPBYJWSA-N 1 0 210.281 0.345 10 0 BCAERO CC(C)(C)C[C@@H]1CS(=O)(=O)C[C@@H]1[NH3+] ZINC000075131291 537925728 /nfs/dbraw/zinc/92/57/28/537925728.db2.gz OJFZOQAVTAMMNS-SFYZADRCSA-N 1 0 205.323 0.795 10 0 BCAERO CCCCOC[C@H](O)C[NH2+][C@@H]1C[C@H](O)C1(C)C ZINC000300298788 346014384 /nfs/dbraw/zinc/01/43/84/346014384.db2.gz NLOADHSHCNFOSA-UTUOFQBUSA-N 1 0 245.363 0.913 10 0 BCAERO C[NH2+][C@H](C)C(=O)N1CCC(CCO)CC1 ZINC000400993779 346029559 /nfs/dbraw/zinc/02/95/59/346029559.db2.gz BBQFMEBBFUZBNW-SECBINFHSA-N 1 0 214.309 0.215 10 0 BCAERO Cc1ccc2c(c1)=C1CCCC[C@]13CNCC[N+]=23 ZINC000575124678 346031727 /nfs/dbraw/zinc/03/17/27/346031727.db2.gz BADBXJBWTOTULX-INIZCTEOSA-N 1 0 241.358 0.566 10 0 BCAERO CCOC(=O)c1n[nH]nc1C[C@@H]([NH3+])C1CC1 ZINC000685954694 537942889 /nfs/dbraw/zinc/94/28/89/537942889.db2.gz YNOBKSVIGGDVIP-SSDOTTSWSA-N 1 0 224.264 0.261 10 0 BCAERO CCCNC(=O)CCCC(=O)NCC[C@@H](C)[NH3+] ZINC000178690494 535027941 /nfs/dbraw/zinc/02/79/41/535027941.db2.gz AGCATUVMMNPNAI-SNVBAGLBSA-N 1 0 243.351 0.536 10 0 BCAERO [NH3+]CC(=O)Nc1c(Cl)ncnc1Cl ZINC000236172822 346205266 /nfs/dbraw/zinc/20/52/66/346205266.db2.gz OJHPRKNXKDQTQY-UHFFFAOYSA-N 1 0 221.047 0.681 10 0 BCAERO [NH3+]Cc1ccnc(Sc2ncc[nH]2)n1 ZINC000236205180 346209938 /nfs/dbraw/zinc/20/99/38/346209938.db2.gz CDFJWEGPPGRUTA-UHFFFAOYSA-N 1 0 207.262 0.810 10 0 BCAERO c1nc2n(n1)C[C@@H]([NH2+]C[C@@H]1CCC=CO1)CC2 ZINC000194396796 187316653 /nfs/dbraw/zinc/31/66/53/187316653.db2.gz SWXXOOCPAWFSFK-QWRGUYRKSA-N 1 0 234.303 0.875 10 0 BCAERO C[C@H]1C[N@H+](CCC(N)=S)CCCO1 ZINC000061918507 346179854 /nfs/dbraw/zinc/17/98/54/346179854.db2.gz GPWFSAWCJSNAOF-QMMMGPOBSA-N 1 0 202.323 0.773 10 0 BCAERO [NH3+]C[C@H](N1CCCOCC1)C(F)(F)F ZINC000061914032 346180148 /nfs/dbraw/zinc/18/01/48/346180148.db2.gz QYUJAZQLAAUWQP-ZETCQYMHSA-N 1 0 212.215 0.598 10 0 BCAERO Cn1nnc(Br)c1[C@@H](F)CC[NH3+] ZINC000236106684 346195864 /nfs/dbraw/zinc/19/58/64/346195864.db2.gz OPAPNAVKARXMQG-BYPYZUCNSA-N 1 0 237.076 0.937 10 0 BCAERO [NH3+]CCC(=O)Nc1cc(Cl)ncn1 ZINC000236238668 346214331 /nfs/dbraw/zinc/21/43/31/346214331.db2.gz YVZVNYRHZWLQEW-UHFFFAOYSA-N 1 0 200.629 0.417 10 0 BCAERO COC(=O)[C@@H](NC(N)=[NH2+])c1ccccc1 ZINC000052019884 346234400 /nfs/dbraw/zinc/23/44/00/346234400.db2.gz KTOVUFYSUJDJIV-QMMMGPOBSA-N 1 0 207.233 0.384 10 0 BCAERO [NH3+][C@@H](CO)[C@H](O)c1ccc(F)cc1Cl ZINC000236299640 346223421 /nfs/dbraw/zinc/22/34/21/346223421.db2.gz KQLSAQHTMIJRSH-DTWKUNHWSA-N 1 0 219.643 0.832 10 0 BCAERO [NH3+][C@H](CO)[C@H](O)c1ccc(F)cc1Cl ZINC000236314953 346224716 /nfs/dbraw/zinc/22/47/16/346224716.db2.gz KQLSAQHTMIJRSH-RKDXNWHRSA-N 1 0 219.643 0.832 10 0 BCAERO [NH3+][C@H](CC1OCCO1)c1ccncc1F ZINC000236317359 346224999 /nfs/dbraw/zinc/22/49/99/346224999.db2.gz JXWLZDWTRDPWII-SECBINFHSA-N 1 0 212.224 0.984 10 0 BCAERO CCCn1cnnc1[C@@H]1C[C@H](OC)C[NH2+]1 ZINC000054498004 187318315 /nfs/dbraw/zinc/31/83/15/187318315.db2.gz XJBIBFVCCRBNKY-IUCAKERBSA-N 1 0 210.281 0.738 10 0 BCAERO NNc1[nH+]cnc2c1cnn2[C@H]1CCOC1 ZINC000669377028 537963684 /nfs/dbraw/zinc/96/36/84/537963684.db2.gz DXWHSHBXYATDLG-LURJTMIESA-N 1 0 220.236 0.073 10 0 BCAERO CC(C)([NH3+])COc1ccc(C(N)=O)cc1 ZINC000057835347 187318765 /nfs/dbraw/zinc/31/87/65/187318765.db2.gz LVPZAEVUVUFNDE-UHFFFAOYSA-N 1 0 208.261 0.902 10 0 BCAERO COCC(=O)NC[C@@H]1CCCC[NH2+]C1 ZINC000308655059 537966704 /nfs/dbraw/zinc/96/67/04/537966704.db2.gz NAZXDKIUCSCXOT-SECBINFHSA-N 1 0 200.282 0.139 10 0 BCAERO Cc1csc(NC[C@@H]2C[NH2+]CCO2)n1 ZINC000227786931 346299483 /nfs/dbraw/zinc/29/94/83/346299483.db2.gz NDIYOVJJZMSTFX-QMMMGPOBSA-N 1 0 213.306 0.852 10 0 BCAERO COc1nscc1[C@@H](O)[C@@H](C)C[NH3+] ZINC000669377612 537965103 /nfs/dbraw/zinc/96/51/03/537965103.db2.gz UZYKVQRSQWJEFW-FSPLSTOPSA-N 1 0 202.279 0.780 10 0 BCAERO C[C@@H]1CCN(C(=O)C(F)(F)F)C[C@H]1C[NH3+] ZINC000167615703 346289519 /nfs/dbraw/zinc/28/95/19/346289519.db2.gz FLUDZNJFQQIMAY-RNFRBKRXSA-N 1 0 224.226 0.992 10 0 BCAERO CCCS(=O)(=O)N(C)CC[NH2+]C(C)C ZINC000669378331 537968793 /nfs/dbraw/zinc/96/87/93/537968793.db2.gz AEYQIBSFUQOYGA-UHFFFAOYSA-N 1 0 222.354 0.656 10 0 BCAERO C[C@]([NH3+])(CCNC(=O)[C@@H]1CCOC1)C(F)F ZINC000669378264 537969593 /nfs/dbraw/zinc/96/95/93/537969593.db2.gz BUCIXDXMYYCUND-XCBNKYQSSA-N 1 0 236.262 0.512 10 0 BCAERO CC(C)[C@@H]1[NH2+]CC[C@H]1c1nc(CN)no1 ZINC000381561699 346354083 /nfs/dbraw/zinc/35/40/83/346354083.db2.gz QNKORTJXPNSXCF-APPZFPTMSA-N 1 0 210.281 0.630 10 0 BCAERO Cn1cc(C[N@@H+]2CC[C@H](CCO)C2)cn1 ZINC000161577328 346337404 /nfs/dbraw/zinc/33/74/04/346337404.db2.gz NTODJZCBAJPDRX-SNVBAGLBSA-N 1 0 209.293 0.624 10 0 BCAERO CCCNC(=O)C[N@@H+]1CC[C@@H](CCO)C1 ZINC000161595079 346338596 /nfs/dbraw/zinc/33/85/96/346338596.db2.gz QUWYQXMIUQLZSX-JTQLQIEISA-N 1 0 214.309 0.217 10 0 BCAERO COC(=O)CCC[N@@H+]1CC[C@H](CCO)C1 ZINC000161598841 346341576 /nfs/dbraw/zinc/34/15/76/346341576.db2.gz WZOCMCYLVGXBHF-SNVBAGLBSA-N 1 0 215.293 0.644 10 0 BCAERO C[N@H+](C[C@H]1C[NH2+]C[C@@H](C(=O)[O-])C1)C1CC1 ZINC000669378742 537972276 /nfs/dbraw/zinc/97/22/76/537972276.db2.gz KWBJUSQRKZHMFP-BDAKNGLRSA-N 1 0 212.293 0.391 10 0 BCAERO COCCCN(C)C(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634747710 537971074 /nfs/dbraw/zinc/97/10/74/537971074.db2.gz WOOLURYLVOBBIJ-AAEUAGOBSA-N 1 0 240.347 0.871 10 0 BCAERO CC1(C(=O)N2CC(OC3CC[NH2+]CC3)C2)CC1 ZINC000675054830 537976712 /nfs/dbraw/zinc/97/67/12/537976712.db2.gz JNRRHVUJZGJQOU-UHFFFAOYSA-N 1 0 238.331 0.766 10 0 BCAERO O=C1NCC[C@H]([NH2+]CCO)c2ccccc21 ZINC000669379125 537974829 /nfs/dbraw/zinc/97/48/29/537974829.db2.gz STDCAINKFXLBMK-NSHDSACASA-N 1 0 220.272 0.443 10 0 BCAERO CSCCCN1CCOC[C@@H]1CO ZINC000159281630 349960635 /nfs/dbraw/zinc/96/06/35/349960635.db2.gz HFNSZKDARJYWIA-VIFPVBQESA-N 1 0 205.323 0.433 10 0 BCAERO CCNC(=O)N1CCC(OC2C[NH2+]C2)CC1 ZINC000675054867 537978088 /nfs/dbraw/zinc/97/80/88/537978088.db2.gz LBVAQLFROQUOEH-UHFFFAOYSA-N 1 0 227.308 0.169 10 0 BCAERO CCN(CCO)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC000725241428 537979383 /nfs/dbraw/zinc/97/93/83/537979383.db2.gz FKLOEJJCKSQKQL-NEPJUHHUSA-N 1 0 212.337 0.927 10 0 BCAERO CC[N@@H+]1CCC[C@@H]1CN(C)CC(=O)N(C)C ZINC000170779035 346447220 /nfs/dbraw/zinc/44/72/20/346447220.db2.gz ODMKAGKIMXQZQY-LLVKDONJSA-N 1 0 227.352 0.491 10 0 BCAERO CCN(CCO)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC000725241432 537979494 /nfs/dbraw/zinc/97/94/94/537979494.db2.gz FKLOEJJCKSQKQL-VXGBXAGGSA-N 1 0 212.337 0.927 10 0 BCAERO c1cc(CN2CC[C@H]3OCC[NH2+][C@H]3C2)sn1 ZINC000641797957 362737830 /nfs/dbraw/zinc/73/78/30/362737830.db2.gz AXTKFJGEATZVDA-WDEREUQCSA-N 1 0 239.344 0.706 10 0 BCAERO CC(C)[NH2+]CCN(C)S(=O)(=O)C(C)C ZINC000669379411 537978910 /nfs/dbraw/zinc/97/89/10/537978910.db2.gz ZVMYYDHDBNWMOB-UHFFFAOYSA-N 1 0 222.354 0.654 10 0 BCAERO C[C@H](CNC1=[NH+]CCCC1)[S@](C)=O ZINC000229725127 346454699 /nfs/dbraw/zinc/45/46/99/346454699.db2.gz GLMCLHLSQNDSCJ-OQPBUACISA-N 1 0 202.323 0.925 10 0 BCAERO CCOC(=O)Cn1cc([C@@H]2CCC[NH2+]2)nn1 ZINC000725241727 537981389 /nfs/dbraw/zinc/98/13/89/537981389.db2.gz NSPMHIXGRBLDEO-QMMMGPOBSA-N 1 0 224.264 0.266 10 0 BCAERO C[C@H](C[NH3+])Nc1ccc(S(C)(=O)=O)cc1F ZINC000390485454 259390351 /nfs/dbraw/zinc/39/03/51/259390351.db2.gz NBYKAVIYKHUMLY-SSDOTTSWSA-N 1 0 246.307 0.988 10 0 BCAERO Cc1cccc(C[NH2+][C@@H]2COC[C@@H]2O)n1 ZINC000051575942 179100576 /nfs/dbraw/zinc/10/05/76/179100576.db2.gz ROLVYMZBMJHMAS-MNOVXSKESA-N 1 0 208.261 0.239 10 0 BCAERO CCn1cc(CN(C)C(=O)[C@@H]2CC[NH2+]C2)cn1 ZINC000577106351 365817197 /nfs/dbraw/zinc/81/71/97/365817197.db2.gz TUCQTTOAVBQKRO-LLVKDONJSA-N 1 0 236.319 0.471 10 0 BCAERO C[C@@H]1C[C@H](NC(=O)[C@H]2CC[C@H]([NH3+])C2)CCO1 ZINC000300378704 346530925 /nfs/dbraw/zinc/53/09/25/346530925.db2.gz GWKXQLGPUUMGCZ-VPOLOUISSA-N 1 0 226.320 0.798 10 0 BCAERO CCC[C@@H](C[NH3+])n1cc(S(C)(=O)=O)cn1 ZINC000725242096 537983004 /nfs/dbraw/zinc/98/30/04/537983004.db2.gz FNAWVTQGRPXCDM-QMMMGPOBSA-N 1 0 231.321 0.587 10 0 BCAERO CCC[C@H](C[NH3+])n1cc(S(C)(=O)=O)cn1 ZINC000725242095 537983107 /nfs/dbraw/zinc/98/31/07/537983107.db2.gz FNAWVTQGRPXCDM-MRVPVSSYSA-N 1 0 231.321 0.587 10 0 BCAERO CS(=O)(=O)c1cnn([C@H]2CCCC[NH2+]2)c1 ZINC000725242348 537984352 /nfs/dbraw/zinc/98/43/52/537984352.db2.gz WDXNTMXPSGRGPR-VIFPVBQESA-N 1 0 229.305 0.559 10 0 BCAERO C[NH2+][C@H](C)C(=O)N[C@H]1C[C@H](OC)C1(C)C ZINC000300388093 346576681 /nfs/dbraw/zinc/57/66/81/346576681.db2.gz NSGSPSCGEDGDFA-VGMNWLOBSA-N 1 0 214.309 0.524 10 0 BCAERO O=S1(=O)CC[C@@H]([NH2+]C2CC=CC2)C1 ZINC000163885545 346580741 /nfs/dbraw/zinc/58/07/41/346580741.db2.gz GSXWBKTYDPQWKZ-SECBINFHSA-N 1 0 201.291 0.482 10 0 BCAERO CC1([NH2+][C@@H]2CCS(=O)(=O)C2)CCC1 ZINC000163906801 346582252 /nfs/dbraw/zinc/58/22/52/346582252.db2.gz NHQNOMABRQUECH-MRVPVSSYSA-N 1 0 203.307 0.706 10 0 BCAERO CS(=O)(=O)c1cnn(CC2CC([NH3+])C2)c1 ZINC000725242370 537983859 /nfs/dbraw/zinc/98/38/59/537983859.db2.gz XOUYHBIDCKHHBW-UHFFFAOYSA-N 1 0 229.305 0.024 10 0 BCAERO CC(C)C[C@@H](C[NH3+])n1cc(S(C)(=O)=O)cn1 ZINC000725242248 537983962 /nfs/dbraw/zinc/98/39/62/537983962.db2.gz POTPFWRKAUVVLW-VIFPVBQESA-N 1 0 245.348 0.833 10 0 BCAERO Cc1cccc(NC(=O)CN2CCC[NH2+]CC2)n1 ZINC000061269243 179127535 /nfs/dbraw/zinc/12/75/35/179127535.db2.gz KEYWBKDJPWEKHB-UHFFFAOYSA-N 1 0 248.330 0.624 10 0 BCAERO C[C@H](CCC[NH3+])n1cc(S(C)(=O)=O)cn1 ZINC000725242211 537984618 /nfs/dbraw/zinc/98/46/18/537984618.db2.gz MWOGNBJHDPPNAT-MRVPVSSYSA-N 1 0 231.321 0.587 10 0 BCAERO C[C@H]1CN(C(=O)[C@H]2CCCO2)CC[C@@H]1[NH3+] ZINC000166393352 346675331 /nfs/dbraw/zinc/67/53/31/346675331.db2.gz DXLVZTBHGHIDMJ-LPEHRKFASA-N 1 0 212.293 0.361 10 0 BCAERO Cn1ccc(C[C@@H]([NH3+])c2csnn2)n1 ZINC000164772602 346624922 /nfs/dbraw/zinc/62/49/22/346624922.db2.gz WZPOTNBSFILLPI-SSDOTTSWSA-N 1 0 209.278 0.514 10 0 BCAERO CC(C)NC(=[NH2+])[C@H]1CCS(=O)(=O)C1 ZINC000167412428 346708673 /nfs/dbraw/zinc/70/86/73/346708673.db2.gz YKURGHGJQITZGB-ZETCQYMHSA-N 1 0 204.295 0.396 10 0 BCAERO COC(=O)C(C)(C)COC1CC[NH2+]CC1 ZINC000206099118 346723133 /nfs/dbraw/zinc/72/31/33/346723133.db2.gz USFDDLJWZFDFNT-UHFFFAOYSA-N 1 0 215.293 0.954 10 0 BCAERO C[NH2+][C@@]1(C(N)=O)Cc2ccc(Cl)cc2C1 ZINC000168097382 346726236 /nfs/dbraw/zinc/72/62/36/346726236.db2.gz PUGTVTVXKUYWFR-NSHDSACASA-N 1 0 224.691 0.882 10 0 BCAERO CCCNC(=O)N1CCC(OC2C[NH2+]C2)CC1 ZINC000675055113 537985461 /nfs/dbraw/zinc/98/54/61/537985461.db2.gz NIZDHACRZZSZII-UHFFFAOYSA-N 1 0 241.335 0.559 10 0 BCAERO COC[C@H](C)[C@@H]1[NH2+]CCc2ncn(C)c21 ZINC000725242518 537986148 /nfs/dbraw/zinc/98/61/48/537986148.db2.gz BAUXMQFFCFZIGJ-WPRPVWTQSA-N 1 0 209.293 0.889 10 0 BCAERO C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCOC2)C1 ZINC000170868620 346798436 /nfs/dbraw/zinc/79/84/36/346798436.db2.gz ZIYDKXNECICHBB-GHMZBOCLSA-N 1 0 226.320 0.576 10 0 BCAERO COC1(C[NH2+][C@@H]2C[C@H]2CO)CCOCC1 ZINC000378669329 346804047 /nfs/dbraw/zinc/80/40/47/346804047.db2.gz ITFSFBPRTTWNBJ-VHSXEESVSA-N 1 0 215.293 0.152 10 0 BCAERO CC(C)O[C@@H]1CC[C@@H]2[NH2+]CCN(C)[C@@H]2N1 ZINC000669380375 537986695 /nfs/dbraw/zinc/98/66/95/537986695.db2.gz MNVCHEWGKGSOHG-AXFHLTTASA-N 1 0 213.325 0.351 10 0 BCAERO C[NH2+][C@H]1CC2(CC[C@@H]1N1CCCC1)OCCO2 ZINC000039384610 347189925 /nfs/dbraw/zinc/18/99/25/347189925.db2.gz CJOPXXHFNXHMCB-RYUDHWBXSA-N 1 0 240.347 0.966 10 0 BCAERO Cc1cccc([C@@H](C[NH3+])N2CCNC(=O)[C@@H]2C)c1 ZINC000104135399 179185412 /nfs/dbraw/zinc/18/54/12/179185412.db2.gz ZHQAPFVCIDGBTF-WCQYABFASA-N 1 0 247.342 0.815 10 0 BCAERO O=S1(=O)CC[C@H]([NH2+][C@@H]2CCC[C@H]3C[C@H]32)C1 ZINC000382172739 347215286 /nfs/dbraw/zinc/21/52/86/347215286.db2.gz WZFIGKQNYSXJCK-UKKRHICBSA-N 1 0 229.345 0.952 10 0 BCAERO CCCCOC[C@H](O)C[N@@H+]1CC[C@H](C)[C@@H]1CO ZINC000310053818 347223134 /nfs/dbraw/zinc/22/31/34/347223134.db2.gz PNUVNUPCPZJRKC-XQQFMLRXSA-N 1 0 245.363 0.867 10 0 BCAERO CCCCOC[C@H](O)C[N@@H+]1CC[C@@H](C)[C@H]1CO ZINC000310053816 347223673 /nfs/dbraw/zinc/22/36/73/347223673.db2.gz PNUVNUPCPZJRKC-JHJVBQTASA-N 1 0 245.363 0.867 10 0 BCAERO [NH3+][C@@H]1[C@@H]2CCO[C@@H]2[C@H]1Nc1nccs1 ZINC000250197600 362796088 /nfs/dbraw/zinc/79/60/88/362796088.db2.gz YZQHZKPAHBSPBN-YWIQKCBGSA-N 1 0 211.290 0.670 10 0 BCAERO CCN1CC[NH+](C[C@@](C)(O)CC)CC1 ZINC000119401651 347289576 /nfs/dbraw/zinc/28/95/76/347289576.db2.gz CPCJKXZQNXMWTC-NSHDSACASA-N 1 0 200.326 0.785 10 0 BCAERO C[C@H]([NH2+]C[C@@H]1CNC(=O)O1)[C@@H]1CCOC1 ZINC000380095302 365878079 /nfs/dbraw/zinc/87/80/79/365878079.db2.gz KCPWDAUAKFYLMN-DJLDLDEBSA-N 1 0 214.265 0.109 10 0 BCAERO Cc1nnc(N(C)[C@@H]2CC[NH2+]C2)nc1C ZINC000158975160 347261987 /nfs/dbraw/zinc/26/19/87/347261987.db2.gz KYAKNEIFYOBGJP-SECBINFHSA-N 1 0 207.281 0.287 10 0 BCAERO Cc1cccc([C@H](NCC[NH+](C)C)C(N)=O)c1 ZINC000038000729 179201719 /nfs/dbraw/zinc/20/17/19/179201719.db2.gz KQWKGSKYOGSSNI-LBPRGKRZSA-N 1 0 235.331 0.673 10 0 BCAERO CCOC(=O)CC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000082290018 347341631 /nfs/dbraw/zinc/34/16/31/347341631.db2.gz IQNRRXUJIUUADY-SECBINFHSA-N 1 0 228.292 0.102 10 0 BCAERO CCNC(=O)N[C@H](C[NH3+])C(F)(F)C(F)(F)F ZINC000669380617 537989133 /nfs/dbraw/zinc/98/91/33/537989133.db2.gz RZEGRJOOPQIZBB-SCSAIBSYSA-N 1 0 249.183 0.830 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N(C)Cc1ccoc1C ZINC000088003737 362819487 /nfs/dbraw/zinc/81/94/87/362819487.db2.gz IUMLHRNQFJGVJH-SNVBAGLBSA-N 1 0 226.276 0.520 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N(C)[C@@H](C)C(C)(C)C ZINC000088003217 362819617 /nfs/dbraw/zinc/81/96/17/362819617.db2.gz IYODDCKXFICQKE-DTWKUNHWSA-N 1 0 216.325 0.853 10 0 BCAERO CS(=O)(=O)N1CC[C@@H]2CCCC[C@@H]2[C@H]1C[NH3+] ZINC000669380448 537989564 /nfs/dbraw/zinc/98/95/64/537989564.db2.gz NNKDMFZUPAQEMR-GARJFASQSA-N 1 0 246.376 0.785 10 0 BCAERO CCCCOC[C@H](O)C[N@H+](CCO)C1CC1 ZINC000193249029 347394108 /nfs/dbraw/zinc/39/41/08/347394108.db2.gz CSTWOJFSTSICJP-GFCCVEGCSA-N 1 0 231.336 0.621 10 0 BCAERO CCCCOC[C@@H](O)C[N@@H+]1CCC[C@H](O)C1 ZINC000193248448 347394367 /nfs/dbraw/zinc/39/43/67/347394367.db2.gz PWBIQEUMJWDWTO-RYUDHWBXSA-N 1 0 231.336 0.621 10 0 BCAERO CC(C)(O)C[N@@H+]1CCC[C@@H](N2CCOCC2)C1 ZINC000382742381 347399250 /nfs/dbraw/zinc/39/92/50/347399250.db2.gz MMIWDHUPYMVRQV-GFCCVEGCSA-N 1 0 242.363 0.554 10 0 BCAERO CS(=O)(=O)N1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000250958546 362827894 /nfs/dbraw/zinc/82/78/94/362827894.db2.gz TWYWCSKUNOGOIL-RKDXNWHRSA-N 1 0 218.322 0.162 10 0 BCAERO O=Cc1csc(CN2CC[NH2+]CC2)n1 ZINC000616568260 347444473 /nfs/dbraw/zinc/44/44/73/347444473.db2.gz HRCZGPDKYXAOJY-UHFFFAOYSA-N 1 0 211.290 0.361 10 0 BCAERO C[NH2+]Cc1cn(CC2CC3(C2)OCCO3)nn1 ZINC000616568488 347446744 /nfs/dbraw/zinc/44/67/44/347446744.db2.gz BASWGCZGEDWJCM-UHFFFAOYSA-N 1 0 238.291 0.151 10 0 BCAERO COCC(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccccc1 ZINC000616568324 347446864 /nfs/dbraw/zinc/44/68/64/347446864.db2.gz AOPZDGDFDZVVNC-QWHCGFSZSA-N 1 0 248.326 0.895 10 0 BCAERO C[C@H]([C@H](C)O)[N@H+](C)[C@H]1CCCN(C)C1 ZINC000251026665 362833522 /nfs/dbraw/zinc/83/35/22/362833522.db2.gz GIOFXPBRIHXQSH-VWYCJHECSA-N 1 0 200.326 0.782 10 0 BCAERO COCC(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccccc1 ZINC000616568325 347447181 /nfs/dbraw/zinc/44/71/81/347447181.db2.gz AOPZDGDFDZVVNC-STQMWFEESA-N 1 0 248.326 0.895 10 0 BCAERO Cc1ccccc1-c1nnnn1CC[NH3+] ZINC000042199158 179239230 /nfs/dbraw/zinc/23/92/30/179239230.db2.gz FBWXRPPLBFQVSK-UHFFFAOYSA-N 1 0 203.249 0.607 10 0 BCAERO [NH3+][C@H](CC1CCC1)[C@H]1CCS(=O)(=O)C1 ZINC000150017318 347588846 /nfs/dbraw/zinc/58/88/46/347588846.db2.gz BSXPFMSRYDYYQF-VHSXEESVSA-N 1 0 217.334 0.939 10 0 BCAERO C[NH2+][C@H](C=C(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000150047585 347591791 /nfs/dbraw/zinc/59/17/91/347591791.db2.gz GTTOVRSVOFCCCJ-NXEZZACHSA-N 1 0 217.334 0.975 10 0 BCAERO CC[C@H]1CC[NH2+]C[C@H]1NC(=O)C1CCOCC1 ZINC000616569346 347649132 /nfs/dbraw/zinc/64/91/32/347649132.db2.gz INSGNFWVENXZSM-CMPLNLGQSA-N 1 0 240.347 0.917 10 0 BCAERO CC[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C1CCOCC1 ZINC000616569348 347649398 /nfs/dbraw/zinc/64/93/98/347649398.db2.gz INSGNFWVENXZSM-PWSUYJOCSA-N 1 0 240.347 0.917 10 0 BCAERO CS[C@@H](C)CNC(=O)[C@@H]1C[NH2+]CCOC1 ZINC000591631452 347680933 /nfs/dbraw/zinc/68/09/33/347680933.db2.gz QVVDNVIPBKQXHX-DTWKUNHWSA-N 1 0 232.349 0.090 10 0 BCAERO Cc1ccccc1CNC(=O)[C@H]1C[NH2+][C@H](C)CN1 ZINC000062814639 179279930 /nfs/dbraw/zinc/27/99/30/179279930.db2.gz OSEDXUWBJLNURC-DGCLKSJQSA-N 1 0 247.342 0.561 10 0 BCAERO CC[C@@H](O)C[N@H+](C)C[C@@H]1CN(C)CCO1 ZINC000592391272 347771229 /nfs/dbraw/zinc/77/12/29/347771229.db2.gz QYXCDXXXGZIXQI-MNOVXSKESA-N 1 0 216.325 0.020 10 0 BCAERO Cc1ccccc1C[NH2+][C@H]1COC[C@@H]1O ZINC000037894958 179284578 /nfs/dbraw/zinc/28/45/78/179284578.db2.gz UCXCLGLZCVMKPR-RYUDHWBXSA-N 1 0 207.273 0.844 10 0 BCAERO C[NH2+][C@@H](C)CNC(=O)CSC(C)C ZINC000308528565 347801637 /nfs/dbraw/zinc/80/16/37/347801637.db2.gz YQOXXIFITXNBLD-QMMMGPOBSA-N 1 0 204.339 0.852 10 0 BCAERO COCC(=O)NCC(C)(C)C1CC[NH2+]CC1 ZINC000616569716 347806212 /nfs/dbraw/zinc/80/62/12/347806212.db2.gz CKWPAWCPTLMCMJ-UHFFFAOYSA-N 1 0 228.336 0.775 10 0 BCAERO CCCCOC[C@@H](O)C[N@H+](C)[C@@H](CC)CO ZINC000345828128 365923432 /nfs/dbraw/zinc/92/34/32/365923432.db2.gz IIKQHDCNBUUJGB-RYUDHWBXSA-N 1 0 233.352 0.867 10 0 BCAERO Cc1ccccc1NS(=O)(=O)CC[NH3+] ZINC000011570246 179306178 /nfs/dbraw/zinc/30/61/78/179306178.db2.gz VZYMRGUWHFNAGA-UHFFFAOYSA-N 1 0 214.290 0.695 10 0 BCAERO CO[C@@H]1C[C@@H](CO)[N@H+](CCOCC2CCC2)C1 ZINC000419269167 192109949 /nfs/dbraw/zinc/10/99/49/192109949.db2.gz OFKBYNYOSLQSBA-QWHCGFSZSA-N 1 0 243.347 0.885 10 0 BCAERO COC(=O)[C@@H]1CCCN(C(=O)[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000593911759 347969819 /nfs/dbraw/zinc/96/98/19/347969819.db2.gz KHCLRAJRDNHKHI-BBBLOLIVSA-N 1 0 240.303 0.135 10 0 BCAERO COC(=O)[C@@H]1CCCN(C(=O)C[C@H](C)[NH3+])C1 ZINC000593911709 347970125 /nfs/dbraw/zinc/97/01/25/347970125.db2.gz IGWOKKYRJXCDSI-DTWKUNHWSA-N 1 0 228.292 0.135 10 0 BCAERO COC(=O)[C@@H]1CCCN(C(=O)C2(C)C[NH2+]C2)C1 ZINC000593912194 347970856 /nfs/dbraw/zinc/97/08/56/347970856.db2.gz YOIDXZMFDLGVGH-SECBINFHSA-N 1 0 240.303 0.008 10 0 BCAERO CC1(C(=O)N2CCC3(C[NH2+]C3)CC2)CC1 ZINC000616570373 348069643 /nfs/dbraw/zinc/06/96/43/348069643.db2.gz FYIHADFYLZIJHP-UHFFFAOYSA-N 1 0 208.305 0.999 10 0 BCAERO Cc1ccccc1[C@H]([NH3+])CN1C(=O)CN(C)C1=O ZINC000020296094 179343940 /nfs/dbraw/zinc/34/39/40/179343940.db2.gz ZPDWYQSJCPWNDU-LLVKDONJSA-N 1 0 247.298 0.889 10 0 BCAERO Cc1ccccc1[C@H](O)CN1CC[NH2+]CC1 ZINC000019785166 179345721 /nfs/dbraw/zinc/34/57/21/179345721.db2.gz ZCJQRLWBOZLPHG-CYBMUJFWSA-N 1 0 220.316 0.934 10 0 BCAERO C[NH2+][C@@H](C)C(=O)N1CCC[C@@H](C(=O)OC)C1 ZINC000594454968 348059091 /nfs/dbraw/zinc/05/90/91/348059091.db2.gz WRNGCRIKXVBPGZ-DTWKUNHWSA-N 1 0 228.292 0.006 10 0 BCAERO Cc1cccnc1C(=O)N1CC[C@H]([NH3+])[C@H]1C ZINC000309301023 179361755 /nfs/dbraw/zinc/36/17/55/179361755.db2.gz MBOSFHCEAVNSSU-ZJUUUORDSA-N 1 0 219.288 0.952 10 0 BCAERO CCOC(=O)CC(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000616571289 348197701 /nfs/dbraw/zinc/19/77/01/348197701.db2.gz WQKOKXQQECKQAJ-IUCAKERBSA-N 1 0 228.292 0.054 10 0 BCAERO CN(C)c1nc([C@@H]2CCC[NH2+]2)cc(=O)[nH]1 ZINC000669382349 538000632 /nfs/dbraw/zinc/00/06/32/538000632.db2.gz KLSGSIPIWUKAJG-ZETCQYMHSA-N 1 0 208.265 0.673 10 0 BCAERO NOCCSc1ccc(C(N)=[NH2+])cc1 ZINC000225347555 348271936 /nfs/dbraw/zinc/27/19/36/348271936.db2.gz ZAYLGCLPOIFERS-UHFFFAOYSA-N 1 0 211.290 0.953 10 0 BCAERO O=S1(=O)CC[C@@H]([NH2+]CC2CCCC2)C1 ZINC000037258356 348292775 /nfs/dbraw/zinc/29/27/75/348292775.db2.gz LLBVKXZLYZMCKY-SNVBAGLBSA-N 1 0 217.334 0.953 10 0 BCAERO NC(=S)[C@H]1CCC[N@@H+]1[C@H]1CCOC1 ZINC000251462415 362877897 /nfs/dbraw/zinc/87/78/97/362877897.db2.gz UVJBMMDPTFRXFT-JGVFFNPUSA-N 1 0 200.307 0.526 10 0 BCAERO O=C1C[C@]2(CC[N@H+](Cc3ccccc3)C2)C(=O)N1 ZINC000037337575 348342243 /nfs/dbraw/zinc/34/22/43/348342243.db2.gz CLVFEVZAKAPJOJ-AWEZNQCLSA-N 1 0 244.294 0.925 10 0 BCAERO C[C@H](C[NH3+])S(=O)(=O)N1CCCC[C@H]1C ZINC000251614879 362892124 /nfs/dbraw/zinc/89/21/24/362892124.db2.gz CHCVWWYJNAMZRX-RKDXNWHRSA-N 1 0 220.338 0.538 10 0 BCAERO C[C@@H]1CN([C@@H]2C[NH2+]C[C@H]2O)C[C@H](C)S1 ZINC000251756915 362907382 /nfs/dbraw/zinc/90/73/82/362907382.db2.gz SYJSEBJPRRNXLS-UTINFBMNSA-N 1 0 216.350 0.145 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)NCCC[NH2+]C2CC2)O1 ZINC000088142030 362907988 /nfs/dbraw/zinc/90/79/88/362907988.db2.gz WDWPJHBWSAMNDJ-MWLCHTKSSA-N 1 0 226.320 0.812 10 0 BCAERO C[C@@H]1C[N@H+](CC(N)=S)C[C@H]1N(C)C ZINC000251707616 362900741 /nfs/dbraw/zinc/90/07/41/362900741.db2.gz JGFKWSLIOYKIAO-HTQZYQBOSA-N 1 0 201.339 0.154 10 0 BCAERO CCCC[NH2+]C[C@@H](O)C(=O)N1CCCC1 ZINC000669382012 538003494 /nfs/dbraw/zinc/00/34/94/538003494.db2.gz DYQNBSWPHBFYBU-SNVBAGLBSA-N 1 0 214.309 0.359 10 0 BCAERO CC(C)C[NH2+]C[C@]1(O)CCNCC1(F)F ZINC000669382487 538004267 /nfs/dbraw/zinc/00/42/67/538004267.db2.gz LQEUUDGAVMNTAM-SECBINFHSA-N 1 0 222.279 0.592 10 0 BCAERO CC(C)(C)OC(=O)[C@@]1(C[NH3+])CCOC1 ZINC000725245946 538004882 /nfs/dbraw/zinc/00/48/82/538004882.db2.gz ZROQBOCZEQZJFC-SNVBAGLBSA-N 1 0 201.266 0.694 10 0 BCAERO CCSCCN1CCOC[C@@H]1CO ZINC000159300163 349990419 /nfs/dbraw/zinc/99/04/19/349990419.db2.gz QYXZECDJXMIJND-VIFPVBQESA-N 1 0 205.323 0.433 10 0 BCAERO O=C(N[C@@H]1CC[C@H]2C[NH2+]CC[C@@H]21)C1CC1 ZINC000669382958 538006794 /nfs/dbraw/zinc/00/67/94/538006794.db2.gz PGCVXRYJGLWSRB-GARJFASQSA-N 1 0 208.305 0.901 10 0 BCAERO C[C@@H]1C[NH2+]C[C@]12CC1(CC[C@@H]2O)OCCO1 ZINC000725246630 538006526 /nfs/dbraw/zinc/00/65/26/538006526.db2.gz ZYVZSKZRLJVXOV-OUAUKWLOSA-N 1 0 227.304 0.500 10 0 BCAERO C[C@@H]1[C@H](C)[NH2+]C[C@H](C)N1S(C)(=O)=O ZINC000401198641 348589528 /nfs/dbraw/zinc/58/95/28/348589528.db2.gz BXZHEZDGLYDPNC-BIIVOSGPSA-N 1 0 206.311 0.017 10 0 BCAERO Cc1cnc(CNC(=O)C(C)(C)C[NH3+])cn1 ZINC000061321614 179599172 /nfs/dbraw/zinc/59/91/72/179599172.db2.gz QMINBPCXMAWOIS-UHFFFAOYSA-N 1 0 222.292 0.386 10 0 BCAERO C[C@H]1C[N@H+](C[C@H]2CCCC2=O)CCN1C ZINC000251819374 362929144 /nfs/dbraw/zinc/92/91/44/362929144.db2.gz OWMHIZDJWVRZMM-WDEREUQCSA-N 1 0 210.321 0.992 10 0 BCAERO C[C@@H]1C[NH2+]C[C@]12CC1(CC[C@H]2O)OCCO1 ZINC000725246628 538008381 /nfs/dbraw/zinc/00/83/81/538008381.db2.gz ZYVZSKZRLJVXOV-GMTAPVOTSA-N 1 0 227.304 0.500 10 0 BCAERO O[C@@H]1CC[C@@H]2C[N@@H+]([C@H]3CCOC3)C[C@H]2C1 ZINC000398862929 323194186 /nfs/dbraw/zinc/19/41/86/323194186.db2.gz RNPUSFPDGYPASG-WISYIIOYSA-N 1 0 211.305 0.868 10 0 BCAERO C[C@]1(C(=O)NCc2cocn2)CCCC[NH2+]1 ZINC000397873318 362930137 /nfs/dbraw/zinc/93/01/37/362930137.db2.gz GQKAXULXTNPEDH-LLVKDONJSA-N 1 0 223.276 0.823 10 0 BCAERO CCOC(=O)CN(CC(C)C)C(=O)[C@@H](C)[NH2+]C ZINC000054075157 348877229 /nfs/dbraw/zinc/87/72/29/348877229.db2.gz DHECUKODRSWHEQ-SNVBAGLBSA-N 1 0 244.335 0.642 10 0 BCAERO CCOC(=O)CN(C(=O)[C@@H](C)[NH2+]C)C1CC1 ZINC000054075541 348878112 /nfs/dbraw/zinc/87/81/12/348878112.db2.gz JLVGWWWTKACRKD-MRVPVSSYSA-N 1 0 228.292 0.148 10 0 BCAERO C[NH2+][C@H](C)C(=O)N(C[C@@H]1CCOC1)C1CC1 ZINC000054075564 348878120 /nfs/dbraw/zinc/87/81/20/348878120.db2.gz UXGHGXUCCRABCY-ZJUUUORDSA-N 1 0 226.320 0.622 10 0 BCAERO Cc1cnn(C)c1C[NH2+]C[C@H]1CN(C)CCO1 ZINC000286428669 179720731 /nfs/dbraw/zinc/72/07/31/179720731.db2.gz ISPAZWHKUNIVJC-NSHDSACASA-N 1 0 238.335 0.149 10 0 BCAERO Cc1c(N)ccc(=O)n1[C@@H](C)C[NH+](C)C ZINC000725249303 538019258 /nfs/dbraw/zinc/01/92/58/538019258.db2.gz GZNZQAIBYOKILX-QMMMGPOBSA-N 1 0 209.293 0.862 10 0 BCAERO Cc1cc([C@H]2CC[NH2+]C[C@H]2N)cc(N)[nH+]1 ZINC000669385066 538019408 /nfs/dbraw/zinc/01/94/08/538019408.db2.gz WHMRVVYPAUIWCY-NXEZZACHSA-N 1 0 206.293 0.376 10 0 BCAERO CC1(C(=O)N[C@]2(CO)CCC[NH2+]C2)CC1 ZINC000669385109 538019567 /nfs/dbraw/zinc/01/95/67/538019567.db2.gz YQNPHJFIPDWFQZ-LLVKDONJSA-N 1 0 212.293 0.017 10 0 BCAERO C[C@@H]1CC[C@H]([C@@H]2CCC[NH2+]C2)[C@@H](C(=O)[O-])[NH2+]1 ZINC000669385227 538019874 /nfs/dbraw/zinc/01/98/74/538019874.db2.gz OWIVQEKZZPOTIX-DBIOUOCHSA-N 1 0 226.320 0.827 10 0 BCAERO COC[C@@H](C)NC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054290058 348961635 /nfs/dbraw/zinc/96/16/35/348961635.db2.gz VRLXCBAUVLTSOR-ZJUUUORDSA-N 1 0 214.309 0.527 10 0 BCAERO CCNC(=O)[C@H](C)NC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054291540 348963424 /nfs/dbraw/zinc/96/34/24/348963424.db2.gz NEUUOAIANGMRAD-UWVGGRQHSA-N 1 0 241.335 0.017 10 0 BCAERO CCNC(=O)[C@@H](C)NC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054291538 348963430 /nfs/dbraw/zinc/96/34/30/348963430.db2.gz NEUUOAIANGMRAD-ZJUUUORDSA-N 1 0 241.335 0.017 10 0 BCAERO O=C(C[C@@H]1CCC[NH2+]C1)N[C@H]1CCCC[C@@H]1O ZINC000054292918 348965394 /nfs/dbraw/zinc/96/53/94/348965394.db2.gz VMYWRNCQQJCKAK-SRVKXCTJSA-N 1 0 240.347 0.796 10 0 BCAERO C[NH+]1CCC(n2ccc(=O)c(N)c2)CC1 ZINC000725249520 538021826 /nfs/dbraw/zinc/02/18/26/538021826.db2.gz PQXFEDNQWRRFIE-UHFFFAOYSA-N 1 0 207.277 0.697 10 0 BCAERO O=C(C1CCOCC1)N1CC[C@@H]2[NH2+]CCC[C@H]21 ZINC000616573388 349069529 /nfs/dbraw/zinc/06/95/29/349069529.db2.gz YBDCXIQKIYVNQU-NWDGAFQWSA-N 1 0 238.331 0.766 10 0 BCAERO [NH3+]Cc1ncccc1NC(=O)[C@@H]1CCOC1 ZINC000616573475 349071667 /nfs/dbraw/zinc/07/16/67/349071667.db2.gz SJEFGRXESBXVKO-MRVPVSSYSA-N 1 0 221.260 0.515 10 0 BCAERO C[C@H](C(=O)N(C)C)[N@@H+]1CCS[C@@H](C)C1 ZINC000245829285 349086472 /nfs/dbraw/zinc/08/64/72/349086472.db2.gz QMTMXRRHNNHMOS-DTWKUNHWSA-N 1 0 216.350 0.900 10 0 BCAERO Cc1cc2ccccc2n2c1nn(CC[NH3+])c2=O ZINC000616575226 349088958 /nfs/dbraw/zinc/08/89/58/349088958.db2.gz IAWWFFTYLZTFSR-UHFFFAOYSA-N 1 0 242.282 0.916 10 0 BCAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C[NH2+]C1CC1 ZINC000246387973 349097283 /nfs/dbraw/zinc/09/72/83/349097283.db2.gz BWHSRGOLFAIYFI-JQWIXIFHSA-N 1 0 237.347 0.434 10 0 BCAERO CN(c1cccnn1)[C@@H]1CC[C@@H]2C[NH2+]C[C@H]12 ZINC000616577064 349105129 /nfs/dbraw/zinc/10/51/29/349105129.db2.gz CMANEQPTYGVVKV-OUAUKWLOSA-N 1 0 218.304 0.911 10 0 BCAERO CC[C@H]1CC[NH2+]C[C@H]1NC(=O)CCOC ZINC000616572597 349062144 /nfs/dbraw/zinc/06/21/44/349062144.db2.gz WWRQGITXPGQQMI-VHSXEESVSA-N 1 0 214.309 0.527 10 0 BCAERO CC[C@@H]1CCN(C(=O)CC(=O)OC)C[C@@H]1[NH3+] ZINC000616572601 349062216 /nfs/dbraw/zinc/06/22/16/349062216.db2.gz WXDCXVAVVRTIJZ-BDAKNGLRSA-N 1 0 228.292 0.135 10 0 BCAERO O=C([C@H]1CCOC1)N1CC2(C1)CC[NH2+]CC2 ZINC000616572703 349062550 /nfs/dbraw/zinc/06/25/50/349062550.db2.gz UEAUVUQTDZFDMH-JTQLQIEISA-N 1 0 224.304 0.235 10 0 BCAERO COCC(=O)N[C@H](C)c1cccc(C[NH3+])c1 ZINC000616572446 349065830 /nfs/dbraw/zinc/06/58/30/349065830.db2.gz MVWJOJHYFUCCDP-SECBINFHSA-N 1 0 222.288 0.969 10 0 BCAERO CC[C@H]1CC[NH2+]C[C@@H]1NC(=O)C[NH+](C)C ZINC000616573234 349068038 /nfs/dbraw/zinc/06/80/38/349068038.db2.gz ZFYUAKWZHYNLAC-UWVGGRQHSA-N 1 0 213.325 0.052 10 0 BCAERO C[NH2+][C@@H]1CCC[C@@H](n2ccnc2C)[C@@H]1O ZINC000616577812 349119165 /nfs/dbraw/zinc/11/91/65/349119165.db2.gz JCGOEYSBSQCGQA-GMTAPVOTSA-N 1 0 209.293 0.865 10 0 BCAERO OCC[NH2+][C@H]1CCCN2CCSC[C@@H]12 ZINC000616577779 349119456 /nfs/dbraw/zinc/11/94/56/349119456.db2.gz MBTJSGROICKYKU-UWVGGRQHSA-N 1 0 216.350 0.148 10 0 BCAERO COCCC[NH2+]CCC1(C)OCCO1 ZINC000616577855 349119529 /nfs/dbraw/zinc/11/95/29/349119529.db2.gz NANHYMUSCLPOFK-UHFFFAOYSA-N 1 0 203.282 0.766 10 0 BCAERO CC(=O)N1CCC[C@@H]1c1nc(C)ncc1C[NH3+] ZINC000616578335 349124289 /nfs/dbraw/zinc/12/42/89/349124289.db2.gz LPPKTGZMWGYWMP-LLVKDONJSA-N 1 0 234.303 0.927 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)O1 ZINC000248652007 349144125 /nfs/dbraw/zinc/14/41/25/349144125.db2.gz VEBMLCWQXQXLJT-IYKVGLELSA-N 1 0 238.331 0.750 10 0 BCAERO C[C@@H]([NH3+])C[C@H](C)n1cc(S(C)(=O)=O)cn1 ZINC000725252048 538032024 /nfs/dbraw/zinc/03/20/24/538032024.db2.gz JUZMOSXEMVLVLK-SFYZADRCSA-N 1 0 231.321 0.585 10 0 BCAERO CS(=O)(=O)c1cnn(CCCCC(N)=[NH2+])c1 ZINC000725252078 538032132 /nfs/dbraw/zinc/03/21/32/538032132.db2.gz PIUAPQBITUPFMZ-UHFFFAOYSA-N 1 0 244.320 0.393 10 0 BCAERO Cc1csc(N2CCN([C@H](C)C[NH3+])CC2)n1 ZINC000058022193 179783668 /nfs/dbraw/zinc/78/36/68/179783668.db2.gz UJOMGXHGXUKTMF-SNVBAGLBSA-N 1 0 240.376 0.921 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)O1 ZINC000251661860 349189117 /nfs/dbraw/zinc/18/91/17/349189117.db2.gz KVAOHJSPWKKANU-ZRUFSTJUSA-N 1 0 226.320 0.668 10 0 BCAERO C[C@H]1C[NH2+]CC[C@@H]1n1cc(S(C)(=O)=O)cn1 ZINC000725252034 538032436 /nfs/dbraw/zinc/03/24/36/538032436.db2.gz JQMLHFUDPTXFST-WPRPVWTQSA-N 1 0 243.332 0.457 10 0 BCAERO C[C@H](CCC[NH3+])NC(=O)[C@@H]1CC[C@H](C)O1 ZINC000251793614 349190955 /nfs/dbraw/zinc/19/09/55/349190955.db2.gz LRIFSJGMUDAHFR-UTLUCORTSA-N 1 0 214.309 0.798 10 0 BCAERO C[NH2+]C[C@@]1(O)CCN(c2ccc(F)cn2)C1 ZINC000616579454 349162046 /nfs/dbraw/zinc/16/20/46/349162046.db2.gz RBAAXLJACAVWIA-NSHDSACASA-N 1 0 225.267 0.381 10 0 BCAERO C[NH2+][C@@H](C)CCn1cc(S(C)(=O)=O)cn1 ZINC000725251601 538030721 /nfs/dbraw/zinc/03/07/21/538030721.db2.gz CDYGIOZEYXDBCI-QMMMGPOBSA-N 1 0 231.321 0.285 10 0 BCAERO CS(=O)(=O)c1cnn(CCC[NH2+]C2CC2)c1 ZINC000725251584 538030795 /nfs/dbraw/zinc/03/07/95/538030795.db2.gz BZOGEAUYURVHAO-UHFFFAOYSA-N 1 0 243.332 0.429 10 0 BCAERO C[C@H]1C[C@@H](n2cc(S(C)(=O)=O)cn2)CC[NH2+]1 ZINC000725252198 538031687 /nfs/dbraw/zinc/03/16/87/538031687.db2.gz KKWOKDCUEIABIU-IUCAKERBSA-N 1 0 243.332 0.600 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)N2CC[C@@H]([NH3+])C[C@H]2C)O1 ZINC000252682514 349209970 /nfs/dbraw/zinc/20/99/70/349209970.db2.gz CGWZXXMAXSYPNV-GWOFURMSSA-N 1 0 226.320 0.892 10 0 BCAERO C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[C@H](C)O2)C1 ZINC000252689855 349210416 /nfs/dbraw/zinc/21/04/16/349210416.db2.gz SKNKERWZTRBXMB-AEJSXWLSSA-N 1 0 212.293 0.374 10 0 BCAERO CS(=O)(=O)c1cnn([C@@H]2CCC[C@@H]2[NH3+])c1 ZINC000725253279 538036054 /nfs/dbraw/zinc/03/60/54/538036054.db2.gz SYCLNMLLYUQMKX-DTWKUNHWSA-N 1 0 229.305 0.339 10 0 BCAERO CC(C)S(=O)(=O)CCN1CCCC[C@@H]1C[NH3+] ZINC000217933953 535092218 /nfs/dbraw/zinc/09/22/18/535092218.db2.gz SSRPCTGGXLUHTR-LLVKDONJSA-N 1 0 248.392 0.623 10 0 BCAERO CC[C@@H]([NH3+])[C@@H](C)n1cc(S(C)(=O)=O)cn1 ZINC000725252582 538033537 /nfs/dbraw/zinc/03/35/37/538033537.db2.gz NPTWTDZAZUAZAC-VXNVDRBHSA-N 1 0 231.321 0.585 10 0 BCAERO CC[C@H]([NH3+])[C@H](C)n1cc(S(C)(=O)=O)cn1 ZINC000725252579 538033548 /nfs/dbraw/zinc/03/35/48/538033548.db2.gz NPTWTDZAZUAZAC-CBAPKCEASA-N 1 0 231.321 0.585 10 0 BCAERO CS(=O)(=O)c1cnn([C@H]2CCCC[C@@H]2[NH3+])c1 ZINC000725252245 538033738 /nfs/dbraw/zinc/03/37/38/538033738.db2.gz LBZPVXHIMDQBLN-UWVGGRQHSA-N 1 0 243.332 0.729 10 0 BCAERO Cc1ccc(OC[C@]2(O)C[NH2+]CCOC2)cc1 ZINC000616580130 349247815 /nfs/dbraw/zinc/24/78/15/349247815.db2.gz VCZTYRXBUQYBRZ-ZDUSSCGKSA-N 1 0 237.299 0.725 10 0 BCAERO CN(C)c1nccc(N(C)[C@H]2CC[NH2+]C2)n1 ZINC000082924386 349252110 /nfs/dbraw/zinc/25/21/10/349252110.db2.gz GHZIVELPWMEVQH-VIFPVBQESA-N 1 0 221.308 0.341 10 0 BCAERO Cc1n[nH]c(C)c1S(=O)(=O)NCC[C@@H](C)[NH3+] ZINC000063171046 179831407 /nfs/dbraw/zinc/83/14/07/179831407.db2.gz CGOUZLRHSJGMLN-ZCFIWIBFSA-N 1 0 246.336 0.042 10 0 BCAERO F[C@@H]1COC[C@H]1[NH2+]CC1CCOCC1 ZINC000616581313 349263814 /nfs/dbraw/zinc/26/38/14/349263814.db2.gz NHHKGDVWKGBEBR-NXEZZACHSA-N 1 0 203.257 0.740 10 0 BCAERO COc1cccc2c1NC(=O)[C@]21CC[NH2+]C1 ZINC000211417380 349269684 /nfs/dbraw/zinc/26/96/84/349269684.db2.gz JLIXUTLVJZTUJQ-LBPRGKRZSA-N 1 0 218.256 0.878 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@@H]1CCO[C@H](C)C1 ZINC000388647235 349302161 /nfs/dbraw/zinc/30/21/61/349302161.db2.gz DCLOGXQEZSATQL-DDHJBXDOSA-N 1 0 240.347 0.773 10 0 BCAERO CC[NH2+][C@H](C)CCn1cc(S(C)(=O)=O)cn1 ZINC000725253574 538037292 /nfs/dbraw/zinc/03/72/92/538037292.db2.gz XRFHRAXDWLPGOM-SECBINFHSA-N 1 0 245.348 0.675 10 0 BCAERO C[C@H](CC(N)=S)[N@@H+]1CC[C@@H](C)[C@H](O)C1 ZINC000299901447 349331934 /nfs/dbraw/zinc/33/19/34/349331934.db2.gz BEBHBDDEXCOXJD-IWSPIJDZSA-N 1 0 216.350 0.754 10 0 BCAERO C[C@@H](C[N@@H+]1CCO[C@@H](C)C1)C(N)=S ZINC000221891414 349337551 /nfs/dbraw/zinc/33/75/51/349337551.db2.gz GFQLSXQRQVHJTE-YUMQZZPRSA-N 1 0 202.323 0.629 10 0 BCAERO CCC[C@@H]([NH3+])Cn1cc(S(C)(=O)=O)cn1 ZINC000725253522 538037897 /nfs/dbraw/zinc/03/78/97/538037897.db2.gz WQQMULNLQQFCLF-MRVPVSSYSA-N 1 0 231.321 0.414 10 0 BCAERO COc1cccc(C[NH2+][C@@H]2C[C@H]2CO)n1 ZINC000309080889 323226083 /nfs/dbraw/zinc/22/60/83/323226083.db2.gz PJQOVMWOAUZMIU-WCBMZHEXSA-N 1 0 208.261 0.561 10 0 BCAERO CC[C@H](C)[C@@H]([NH3+])Cn1cc(S(C)(=O)=O)cn1 ZINC000725253650 538039758 /nfs/dbraw/zinc/03/97/58/538039758.db2.gz YQECKLQNIITWKI-WPRPVWTQSA-N 1 0 245.348 0.660 10 0 BCAERO CC(C)[C@](C)(O)C[N@@H+]1CCC[C@H](O)C1 ZINC000167942166 349374542 /nfs/dbraw/zinc/37/45/42/349374542.db2.gz NQTXRHBFVMXIIJ-WDEREUQCSA-N 1 0 201.310 0.850 10 0 BCAERO OC[C@]1(Cc2ccccc2F)C[NH2+]CCO1 ZINC000616590797 350016104 /nfs/dbraw/zinc/01/61/04/350016104.db2.gz KVMPTQZXJFBQAK-LBPRGKRZSA-N 1 0 225.263 0.719 10 0 BCAERO Cc1noc(CNC(=O)[C@@]2(C)CCC[NH2+]2)n1 ZINC000070618962 350026924 /nfs/dbraw/zinc/02/69/24/350026924.db2.gz JXGORDJWIRDAHZ-SNVBAGLBSA-N 1 0 224.264 0.136 10 0 BCAERO C[C@]1(C(=O)NC[C@@H]2CCCCO2)CCC[NH2+]1 ZINC000070619169 350028611 /nfs/dbraw/zinc/02/86/11/350028611.db2.gz SQPCZDLSUOFRDV-CMPLNLGQSA-N 1 0 226.320 0.814 10 0 BCAERO O=S1(=O)CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000082978130 538043493 /nfs/dbraw/zinc/04/34/93/538043493.db2.gz RDYNNSIXXOIBOW-JTQLQIEISA-N 1 0 217.334 0.811 10 0 BCAERO COC[C@@H](C)NC(=O)[C@@]1(C)CCC[NH2+]1 ZINC000070618508 350031003 /nfs/dbraw/zinc/03/10/03/350031003.db2.gz OTAAQBDVJGSNEX-PSASIEDQSA-N 1 0 200.282 0.280 10 0 BCAERO C[NH2+][C@H](C)C(=O)Nc1nc(C(C)=O)cs1 ZINC000070886058 350073245 /nfs/dbraw/zinc/07/32/45/350073245.db2.gz BLVZBKWYTQFLTB-RXMQYKEDSA-N 1 0 227.289 0.892 10 0 BCAERO C[C@@H]1CC[C@@H](C)[N@H+](C[C@@](C)(N)C(N)=O)C1 ZINC000228020803 350081260 /nfs/dbraw/zinc/08/12/60/350081260.db2.gz BBCJUBUDVGKMGG-FXPVBKGRSA-N 1 0 213.325 0.310 10 0 BCAERO CN(c1ncnc2c1CCC2)[C@H]1CC[NH2+]C1 ZINC000070897150 350071130 /nfs/dbraw/zinc/07/11/30/350071130.db2.gz JBLSAFIJTXUVGV-VIFPVBQESA-N 1 0 218.304 0.763 10 0 BCAERO CC(C)C(=[NH2+])N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000062990914 350100462 /nfs/dbraw/zinc/10/04/62/350100462.db2.gz QRDQOJXCLRLWQU-MRVPVSSYSA-N 1 0 218.322 0.739 10 0 BCAERO Cc1nc(N2CCNC(=O)C2)sc1[C@@H](C)[NH3+] ZINC000054864395 180002540 /nfs/dbraw/zinc/00/25/40/180002540.db2.gz YSHGIAAIIUVZPS-ZCFIWIBFSA-N 1 0 240.332 0.407 10 0 BCAERO Cn1nnnc1NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000302620076 350093291 /nfs/dbraw/zinc/09/32/91/350093291.db2.gz ZVLQHZJGEAXWLL-NSHDSACASA-N 1 0 244.302 0.509 10 0 BCAERO CCNC(=O)NC[C@@H]([NH3+])[C@@H]1CCCOC1 ZINC000725255369 538051855 /nfs/dbraw/zinc/05/18/55/538051855.db2.gz ZZWCYGMLXJUUIR-RKDXNWHRSA-N 1 0 215.297 0.059 10 0 BCAERO Cc1nc([C@@H]2CCC[N@@H+]2CCO)cc(=O)[nH]1 ZINC000072381337 180044250 /nfs/dbraw/zinc/04/42/50/180044250.db2.gz YIDXQOGRVXOVTM-JTQLQIEISA-N 1 0 223.276 0.208 10 0 BCAERO Cc1nc([C@@]2(N)CC[N@@H+](C(C)C)C2)no1 ZINC000045660104 180047773 /nfs/dbraw/zinc/04/77/73/180047773.db2.gz LQXNJFAGPAMQSQ-SNVBAGLBSA-N 1 0 210.281 0.646 10 0 BCAERO [NH3+]Cc1ccc(F)c2c1C[C@@H](C(=O)[O-])[NH2+]C2 ZINC000725255622 538053028 /nfs/dbraw/zinc/05/30/28/538053028.db2.gz GHKBGJIQEKQCLG-JTQLQIEISA-N 1 0 224.235 0.383 10 0 BCAERO CCNC(=O)NC[C@H]([NH3+])[C@@H]1CCCOC1 ZINC000725255366 538051710 /nfs/dbraw/zinc/05/17/10/538051710.db2.gz ZZWCYGMLXJUUIR-BDAKNGLRSA-N 1 0 215.297 0.059 10 0 BCAERO CCN1C(CC)(CC)[C@H]([NH3+])CS1(=O)=O ZINC000725256391 538055504 /nfs/dbraw/zinc/05/55/04/538055504.db2.gz IZABOVUQOSXDSG-MRVPVSSYSA-N 1 0 220.338 0.538 10 0 BCAERO CC(C)(C)[C@H](O)C[NH2+]C[C@@H]1CCCS1(=O)=O ZINC000304246614 350150709 /nfs/dbraw/zinc/15/07/09/350150709.db2.gz POEDTKQHHGINCZ-VHSXEESVSA-N 1 0 249.376 0.560 10 0 BCAERO CN(c1cccc2c1CC[NH2+]C2)S(C)(=O)=O ZINC000725255531 538053599 /nfs/dbraw/zinc/05/35/99/538053599.db2.gz DKSBOKVOLKYFJI-UHFFFAOYSA-N 1 0 240.328 0.728 10 0 BCAERO [NH3+]Cc1ccc(F)c2c1C[C@H](C(=O)[O-])[NH2+]C2 ZINC000725255623 538053678 /nfs/dbraw/zinc/05/36/78/538053678.db2.gz GHKBGJIQEKQCLG-SNVBAGLBSA-N 1 0 224.235 0.383 10 0 BCAERO CCC1(CC)[C@H]([NH3+])CS(=O)(=O)N1C ZINC000725256412 538057049 /nfs/dbraw/zinc/05/70/49/538057049.db2.gz KVJISVLIOUARKC-SSDOTTSWSA-N 1 0 206.311 0.148 10 0 BCAERO C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1[C@H](C)COC[C@@H]1C ZINC000563156784 350174652 /nfs/dbraw/zinc/17/46/52/350174652.db2.gz LJIYREAFFFCFFD-VLEAKVRGSA-N 1 0 226.320 0.620 10 0 BCAERO Cn1nccc1-c1cc(=O)[nH]c(C[NH2+]C2CC2)n1 ZINC000725257654 538065244 /nfs/dbraw/zinc/06/52/44/538065244.db2.gz UTBYTSNBBXVMGA-UHFFFAOYSA-N 1 0 245.286 0.835 10 0 BCAERO Cc1nc[nH]c1CNC(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000335320911 180119782 /nfs/dbraw/zinc/11/97/82/180119782.db2.gz JUCVQYVMEVVZPT-PSASIEDQSA-N 1 0 236.319 0.722 10 0 BCAERO CCOC(=O)[C@@H]1CC2(CC[C@@H]1[NH3+])OCCO2 ZINC000034318006 350169064 /nfs/dbraw/zinc/16/90/64/350169064.db2.gz QJZHUCODCXWUKO-BDAKNGLRSA-N 1 0 229.276 0.420 10 0 BCAERO Cc1ncc(C(=O)N2CC[C@H]([NH+](C)C)C2)c(C)n1 ZINC000180253711 180127685 /nfs/dbraw/zinc/12/76/85/180127685.db2.gz FMHSBKGMQXQWPS-NSHDSACASA-N 1 0 248.330 0.870 10 0 BCAERO C[C@H]([NH3+])c1nc(-c2ccnn2C)cc(=O)[nH]1 ZINC000725257823 538067113 /nfs/dbraw/zinc/06/71/13/538067113.db2.gz XYRQBKOZJZWWEW-LURJTMIESA-N 1 0 219.248 0.602 10 0 BCAERO Cc1ncc(N)cc1C(=O)NCCC[NH+](C)C ZINC000038094883 180163521 /nfs/dbraw/zinc/16/35/21/180163521.db2.gz XZYAFDMZQCHXQZ-UHFFFAOYSA-N 1 0 236.319 0.654 10 0 BCAERO Cc1ncc(N)cc1C(=O)N1CCC[N@@H+](C)CC1 ZINC000038095022 180163726 /nfs/dbraw/zinc/16/37/26/180163726.db2.gz LBVBGFMVZGETRV-UHFFFAOYSA-N 1 0 248.330 0.750 10 0 BCAERO COc1ccc(CN2C[C@@H]([NH3+])C2=O)c(OC)c1 ZINC000104839807 191066605 /nfs/dbraw/zinc/06/66/05/191066605.db2.gz GKBVDCVXOHWAOI-SNVBAGLBSA-N 1 0 236.271 0.373 10 0 BCAERO Cc1nccc(C[NH2+]C[C@@H]2COCCO2)n1 ZINC000054790790 180189996 /nfs/dbraw/zinc/18/99/96/180189996.db2.gz MJTSRBIRZZTXRC-LLVKDONJSA-N 1 0 223.276 0.290 10 0 BCAERO CC[C@@H]([NH3+])C(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000084200621 490379924 /nfs/dbraw/zinc/37/99/24/490379924.db2.gz VZFYAYWGLGUPEO-MXWKQRLJSA-N 1 0 226.320 0.894 10 0 BCAERO Cc1nccc([C@H]2[C@H](C[NH3+])CCN2C)n1 ZINC000082933170 180208806 /nfs/dbraw/zinc/20/88/06/180208806.db2.gz UYFRNYQCSGTKKZ-GXSJLCMTSA-N 1 0 206.293 0.737 10 0 BCAERO COC(=O)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000221563688 350214429 /nfs/dbraw/zinc/21/44/29/350214429.db2.gz UTMBREXSGRQRNN-VIFPVBQESA-N 1 0 209.249 0.594 10 0 BCAERO Cc1nccc(CNC(=O)[C@](C)([NH3+])C2CC2)n1 ZINC000038038089 180187415 /nfs/dbraw/zinc/18/74/15/180187415.db2.gz FSAJMLGTSUEBNJ-GFCCVEGCSA-N 1 0 234.303 0.529 10 0 BCAERO Cc1nccc(CNC(=O)[C@H]2CC[C@@H]([NH3+])C2)n1 ZINC000091539516 180188256 /nfs/dbraw/zinc/18/82/56/180188256.db2.gz RPRNTHUILQCKQA-VHSXEESVSA-N 1 0 234.303 0.529 10 0 BCAERO Cc1nccc(C[NH2+]CCc2cnn(C)c2)n1 ZINC000128162000 180189184 /nfs/dbraw/zinc/18/91/84/180189184.db2.gz PLAKSXLJRZPVID-UHFFFAOYSA-N 1 0 231.303 0.851 10 0 BCAERO Cc1nccn1CCC(=O)N1CC[NH2+]CC1 ZINC000053299296 180233078 /nfs/dbraw/zinc/23/30/78/180233078.db2.gz YSFBVCAYZMXYLH-UHFFFAOYSA-N 1 0 222.292 0.013 10 0 BCAERO CCC[S@@](N)(=O)=Nc1ccnn1C1C[NH2+]C1 ZINC000725258658 538076443 /nfs/dbraw/zinc/07/64/43/538076443.db2.gz WGHPRGWYJMLVMJ-INIZCTEOSA-N 1 0 243.336 0.411 10 0 BCAERO CC(C)=CC(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725258798 538077188 /nfs/dbraw/zinc/07/71/88/538077188.db2.gz AWRXZRPERIXIHT-UHFFFAOYSA-N 1 0 220.276 0.932 10 0 BCAERO Cc1nccn1[C@@H]1CC2(CC[C@@H]1[NH3+])OCCO2 ZINC000019256827 180272588 /nfs/dbraw/zinc/27/25/88/180272588.db2.gz YXISUKMQVJGIAG-WDEREUQCSA-N 1 0 237.303 0.987 10 0 BCAERO COC1(OC)CC[C@@H](O)C[C@@H]1CC[NH3+] ZINC000725261658 538087280 /nfs/dbraw/zinc/08/72/80/538087280.db2.gz AOSFZDBTPGLOQA-DTWKUNHWSA-N 1 0 203.282 0.485 10 0 BCAERO Cc1nccn1C[C@@H]1CCC[N@@H+]1CCO ZINC000178752842 180265083 /nfs/dbraw/zinc/26/50/83/180265083.db2.gz RFTVDZLIONSDJU-NSHDSACASA-N 1 0 209.293 0.648 10 0 BCAERO Cc1nccn1C[C@H]1CCC[N@@H+]1CCO ZINC000178752854 180268399 /nfs/dbraw/zinc/26/83/99/180268399.db2.gz RFTVDZLIONSDJU-LLVKDONJSA-N 1 0 209.293 0.648 10 0 BCAERO COC(=O)C(C)(C)NC(=O)C1CCC([NH3+])CC1 ZINC000037629532 350277524 /nfs/dbraw/zinc/27/75/24/350277524.db2.gz KELWVMDQBBWSLS-UHFFFAOYSA-N 1 0 242.319 0.572 10 0 BCAERO COC[C@H](C)NC(=O)C[C@H]1CC[NH2+]C1 ZINC000084381462 538083863 /nfs/dbraw/zinc/08/38/63/538083863.db2.gz ASQAFVWBWTWXBV-DTWKUNHWSA-N 1 0 200.282 0.137 10 0 BCAERO Cc1nccnc1[S@@](=O)CC1CC[NH2+]CC1 ZINC000095068803 180283566 /nfs/dbraw/zinc/28/35/66/180283566.db2.gz QONLHKHELJZNLI-MRXNPFEDSA-N 1 0 239.344 0.892 10 0 BCAERO Cc1nccnc1[S@](=O)C[C@@H]1CCC[NH2+]1 ZINC000095068792 180283690 /nfs/dbraw/zinc/28/36/90/180283690.db2.gz LOWJHGORXZVWEC-VFZGTOFNSA-N 1 0 225.317 0.645 10 0 BCAERO CC(C)(C)[C@H](O)C[NH2+]C[C@H](O)COCC1CC1 ZINC000324237559 350294006 /nfs/dbraw/zinc/29/40/06/350294006.db2.gz AGXSLUXIVBNNBH-NWDGAFQWSA-N 1 0 245.363 0.771 10 0 BCAERO Cc1ncoc1C(=O)N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000095574593 180297158 /nfs/dbraw/zinc/29/71/58/180297158.db2.gz ILRKKMGSYJDPCB-IUCAKERBSA-N 1 0 221.260 0.274 10 0 BCAERO CSCC[C@H]([NH3+])C(=O)N[C@H]1CCC[C@@H](O)C1 ZINC000040462094 350364385 /nfs/dbraw/zinc/36/43/85/350364385.db2.gz BFTDBYOAVMVIMK-AEJSXWLSSA-N 1 0 246.376 0.487 10 0 BCAERO Cc1ncsc1CC[N@@H+]1C[C@H](O)C[C@@H]1CO ZINC000185153380 180308334 /nfs/dbraw/zinc/30/83/34/180308334.db2.gz LTWXXEPFJBWWON-NXEZZACHSA-N 1 0 242.344 0.422 10 0 BCAERO CCn1nccc1C[NH2+][C@@H]1CCCNC1=O ZINC000162689794 350333679 /nfs/dbraw/zinc/33/36/79/350333679.db2.gz JCRBDQQYGUEOCO-SNVBAGLBSA-N 1 0 222.292 0.271 10 0 BCAERO CC1(C)CCCN(C(=O)[C@H]2C[C@@H](O)C[NH2+]2)C1 ZINC000069793894 350405306 /nfs/dbraw/zinc/40/53/06/350405306.db2.gz JSIWRCZJIMEGQS-NXEZZACHSA-N 1 0 226.320 0.358 10 0 BCAERO C[NH2+][C@H](C)C(=O)N[C@H]1COc2ccccc2C1 ZINC000328326003 350394459 /nfs/dbraw/zinc/39/44/59/350394459.db2.gz IBRJXTDBQDQIOF-MWLCHTKSSA-N 1 0 234.299 0.714 10 0 BCAERO Cc1ncsc1C[N@@H+]1C[C@@H](O)C[C@@H]1CO ZINC000273479715 180318586 /nfs/dbraw/zinc/31/85/86/180318586.db2.gz LDEFCQHTRHVNDR-BDAKNGLRSA-N 1 0 228.317 0.379 10 0 BCAERO Cc1ncsc1C[NH2+]C(C)(CO)CO ZINC000096033856 180319941 /nfs/dbraw/zinc/31/99/41/180319941.db2.gz QWBXBSRUYXCQJR-UHFFFAOYSA-N 1 0 216.306 0.284 10 0 BCAERO Cc1ncsc1CNC(=O)[C@H](C)C1C[NH2+]C1 ZINC000129237187 180320617 /nfs/dbraw/zinc/32/06/17/180320617.db2.gz VWMLGRSJZCVPGL-SSDOTTSWSA-N 1 0 239.344 0.923 10 0 BCAERO Cc1nn(C)c(C)c1NC(=O)C[C@H](C)[NH3+] ZINC000040857019 180343110 /nfs/dbraw/zinc/34/31/10/180343110.db2.gz XTBBJPGHLASZBB-LURJTMIESA-N 1 0 210.281 0.713 10 0 BCAERO Cc1nn(C)c(C)c1NC(=O)[C@@H]([NH3+])C(C)C ZINC000040856973 180343419 /nfs/dbraw/zinc/34/34/19/180343419.db2.gz GYXDSMQPXAPDNB-VIFPVBQESA-N 1 0 224.308 0.959 10 0 BCAERO Cc1nn(C)c(OCC[NH2+]C(C)C)c1C(N)=O ZINC000104307841 180360137 /nfs/dbraw/zinc/36/01/37/180360137.db2.gz RNNZLMDEVZOHCA-UHFFFAOYSA-N 1 0 240.307 0.204 10 0 BCAERO Cc1nn(C)c(N2CCOCC2)c1C[NH3+] ZINC000020469562 180357056 /nfs/dbraw/zinc/35/70/56/180357056.db2.gz PIRFDVDQRTVYAQ-UHFFFAOYSA-N 1 0 210.281 0.024 10 0 BCAERO OCC[N@@H+]1CCO[C@H](c2ccncc2)CC1 ZINC000616591837 350412739 /nfs/dbraw/zinc/41/27/39/350412739.db2.gz AAMAJFJOUVFUHD-LBPRGKRZSA-N 1 0 222.288 0.837 10 0 BCAERO OCC[N@@H+]1CCO[C@H](c2ccncn2)CC1 ZINC000616592299 350448235 /nfs/dbraw/zinc/44/82/35/350448235.db2.gz CWFNVPBHLONSCP-NSHDSACASA-N 1 0 223.276 0.232 10 0 BCAERO Cc1nn(C)cc1-c1ccn(CCC[NH3+])n1 ZINC000002538615 180365423 /nfs/dbraw/zinc/36/54/23/180365423.db2.gz FGMAKLOFBHFQDG-UHFFFAOYSA-N 1 0 219.292 0.941 10 0 BCAERO CCNC(=O)C[NH2+]Cc1ccnc(C)c1 ZINC000391157175 350477994 /nfs/dbraw/zinc/47/79/94/350477994.db2.gz BEQRTEBQVYBMJX-UHFFFAOYSA-N 1 0 207.277 0.616 10 0 BCAERO c1nnn([C@H]2CCC[NH2+]C2)c1-c1cnccn1 ZINC000725266088 538094147 /nfs/dbraw/zinc/09/41/47/538094147.db2.gz LIQLTZQLOYNANP-VIFPVBQESA-N 1 0 230.275 0.660 10 0 BCAERO Cc1nn(CCC(=O)NCCC[NH3+])cc1Cl ZINC000002538311 180387320 /nfs/dbraw/zinc/38/73/20/180387320.db2.gz WUOVMITVAKEMPQ-UHFFFAOYSA-N 1 0 244.726 0.700 10 0 BCAERO Cc1nn(CCS(C)(=O)=O)c(C)c1[C@H](C)[NH3+] ZINC000054716550 180388640 /nfs/dbraw/zinc/38/86/40/180388640.db2.gz ZBYDSCYDIPKGGG-ZETCQYMHSA-N 1 0 245.348 0.564 10 0 BCAERO Cc1nn(CCN2CC[NH2+]CC2)c(C)c1C ZINC000043500082 180389704 /nfs/dbraw/zinc/38/97/04/180389704.db2.gz JEOLEBOADVUGAL-UHFFFAOYSA-N 1 0 222.336 0.714 10 0 BCAERO Cc1nn(C[C@@H](O)C[NH3+])c(C)c1Cl ZINC000050586549 180390333 /nfs/dbraw/zinc/39/03/33/180390333.db2.gz NKZAQUUFAUYHBI-ZETCQYMHSA-N 1 0 203.673 0.473 10 0 BCAERO Cc1nnc(CN2CCC[NH2+]CC2)n1C1CC1 ZINC000061145953 180407117 /nfs/dbraw/zinc/40/71/17/180407117.db2.gz DRRVQOJLCBGDJD-UHFFFAOYSA-N 1 0 235.335 0.717 10 0 BCAERO C[C@@H]([NH3+])CCNc1ncnc2nc[nH]c21 ZINC000063171631 350574348 /nfs/dbraw/zinc/57/43/48/350574348.db2.gz IEKUNTAOUUTGCC-ZCFIWIBFSA-N 1 0 206.253 0.502 10 0 BCAERO O=C(N[C@@H]1CCCC12CCOCC2)C1C[NH2+]C1 ZINC000335275440 133821500 /nfs/dbraw/zinc/82/15/00/133821500.db2.gz CAJVSKRBIBAPFM-LLVKDONJSA-N 1 0 238.331 0.671 10 0 BCAERO C[C@H]1C[C@@H](N2CC(=O)CC2=O)CC[N@@H+]1C ZINC000128842596 350576431 /nfs/dbraw/zinc/57/64/31/350576431.db2.gz GXUFSMWISPAVSJ-IUCAKERBSA-N 1 0 210.277 0.271 10 0 BCAERO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCCCC[C@H]2O)C1 ZINC000386325768 362968327 /nfs/dbraw/zinc/96/83/27/362968327.db2.gz ONKXUVMMIXZHHJ-QJPTWQEYSA-N 1 0 240.347 0.748 10 0 BCAERO OCC[N@@H+]1CCO[C@@H](c2ccncn2)CC1 ZINC000616594170 350592564 /nfs/dbraw/zinc/59/25/64/350592564.db2.gz CWFNVPBHLONSCP-LLVKDONJSA-N 1 0 223.276 0.232 10 0 BCAERO OCCN1CCO[C@@H](c2cnoc2)CC1 ZINC000616594133 350592601 /nfs/dbraw/zinc/59/26/01/350592601.db2.gz CNPHFCIMASSIIE-SNVBAGLBSA-N 1 0 212.249 0.430 10 0 BCAERO C[NH+](C)CCc1nnc2ccc(Cl)nn21 ZINC000063012028 350596216 /nfs/dbraw/zinc/59/62/16/350596216.db2.gz XTRSZMIRJDOZHP-UHFFFAOYSA-N 1 0 225.683 0.882 10 0 BCAERO Cc1nnc2c(N[C@H]3CCC[NH2+][C@H]3C)nccn12 ZINC000229610531 180448465 /nfs/dbraw/zinc/44/84/65/180448465.db2.gz SDAHESMTDYCASA-WPRPVWTQSA-N 1 0 246.318 0.985 10 0 BCAERO COC(=O)[C@H]1CC[N@@H+](C(C)C)CCO1 ZINC000616595868 350611766 /nfs/dbraw/zinc/61/17/66/350611766.db2.gz ZHEYYWBDPQNLSS-SECBINFHSA-N 1 0 201.266 0.659 10 0 BCAERO CC(C)S(=O)(=O)N1CCCCC[C@@H]1C[NH3+] ZINC000125064549 538097985 /nfs/dbraw/zinc/09/79/85/538097985.db2.gz SBNABPPOMRHLGV-SNVBAGLBSA-N 1 0 234.365 0.928 10 0 BCAERO OCC[N@@H+]1CCCO[C@@H](n2ccnc2)C1 ZINC000616597335 350651800 /nfs/dbraw/zinc/65/18/00/350651800.db2.gz DIQZVRKIICDBBR-SNVBAGLBSA-N 1 0 211.265 0.096 10 0 BCAERO CCCS(=O)(=O)N1CCCCC[C@H]1C[NH3+] ZINC000125067594 538098128 /nfs/dbraw/zinc/09/81/28/538098128.db2.gz PWZBWTOHLKCPCD-JTQLQIEISA-N 1 0 234.365 0.930 10 0 BCAERO [NH3+]CCN1CCOCC[C@H]1c1cc[nH]n1 ZINC000616596995 350635046 /nfs/dbraw/zinc/63/50/46/350635046.db2.gz COVSUSRNCLFCQS-JTQLQIEISA-N 1 0 210.281 0.132 10 0 BCAERO [NH3+]CCN1CCOCC[C@@H]1c1cc[nH]n1 ZINC000616597595 350652168 /nfs/dbraw/zinc/65/21/68/350652168.db2.gz COVSUSRNCLFCQS-SNVBAGLBSA-N 1 0 210.281 0.132 10 0 BCAERO Nc1cccc([C@H]2COCCCN2CC[NH3+])c1 ZINC000616598432 350670734 /nfs/dbraw/zinc/67/07/34/350670734.db2.gz AOIAOIUNAINAGP-CYBMUJFWSA-N 1 0 235.331 0.991 10 0 BCAERO COC(=O)[C@H]1CCCC[N@H+](CCO)C1 ZINC000616603058 350789179 /nfs/dbraw/zinc/78/91/79/350789179.db2.gz ASFWLZBPBOFCJS-VIFPVBQESA-N 1 0 201.266 0.254 10 0 BCAERO NC(=O)c1ccc([C@H]2COCCC[NH2+]2)cc1 ZINC000616603551 350789854 /nfs/dbraw/zinc/78/98/54/350789854.db2.gz QFGTZUKKHQCBOE-LLVKDONJSA-N 1 0 220.272 0.837 10 0 BCAERO [NH3+]CCN1CCCCC[C@@H]1c1conn1 ZINC000616605146 350794138 /nfs/dbraw/zinc/79/41/38/350794138.db2.gz HLNWJZTXIHQJBA-SNVBAGLBSA-N 1 0 210.281 0.945 10 0 BCAERO OCC[N@@H+]1CCCC[C@H](c2nnc[nH]2)C1 ZINC000616604927 350794175 /nfs/dbraw/zinc/79/41/75/350794175.db2.gz UJWZKUUIKZSOFC-VIFPVBQESA-N 1 0 210.281 0.367 10 0 BCAERO NC(=O)c1ccccc1[C@@H]1CCCN1CC[NH3+] ZINC000616607449 350800963 /nfs/dbraw/zinc/80/09/63/350800963.db2.gz HTROGXNGQIXUNM-LBPRGKRZSA-N 1 0 233.315 0.881 10 0 BCAERO CSC(C)(C)[C@@H]([NH3+])c1cnn(C)n1 ZINC000306699500 350848823 /nfs/dbraw/zinc/84/88/23/350848823.db2.gz DMIRUPWJSKPTCR-ZETCQYMHSA-N 1 0 200.311 0.957 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)O1 ZINC000382509516 350852736 /nfs/dbraw/zinc/85/27/36/350852736.db2.gz OBMODAMNFRQIDB-GWOFURMSSA-N 1 0 226.320 0.798 10 0 BCAERO [NH3+]CCN1CCCC[C@H]1c1ncccn1 ZINC000616616101 350854033 /nfs/dbraw/zinc/85/40/33/350854033.db2.gz GNHJNAMBQJVCEB-JTQLQIEISA-N 1 0 206.293 0.962 10 0 BCAERO OCC[N@@H+]1CCCC[C@H]1c1cccnn1 ZINC000616616512 350855694 /nfs/dbraw/zinc/85/56/94/350855694.db2.gz RCURSQFSCCBLBZ-NSHDSACASA-N 1 0 207.277 0.996 10 0 BCAERO CCn1cncc1CN(C)CC[N@H+](C)CCO ZINC000623090283 350858259 /nfs/dbraw/zinc/85/82/59/350858259.db2.gz HDDANXQKDNVGDN-UHFFFAOYSA-N 1 0 240.351 0.259 10 0 BCAERO CCn1cc(CN(C)CC[N@H+](C)CCO)cn1 ZINC000623090850 350859322 /nfs/dbraw/zinc/85/93/22/350859322.db2.gz CFWMYBINIGAWNV-UHFFFAOYSA-N 1 0 240.351 0.259 10 0 BCAERO Cc1ncccc1CN(C)CC[N@H+](C)CCO ZINC000623091136 350867169 /nfs/dbraw/zinc/86/71/69/350867169.db2.gz QOVHNUKUWXXGLU-UHFFFAOYSA-N 1 0 237.347 0.746 10 0 BCAERO [NH3+]C[C@]1([C@@H]2COC[C@H]2O)CCCS1 ZINC000306676303 350828290 /nfs/dbraw/zinc/82/82/90/350828290.db2.gz VURAKTHDSVDAPY-HLTSFMKQSA-N 1 0 203.307 0.218 10 0 BCAERO CC(C)(CO)C[N@@H+]1CC[C@@H](O)C1(C)C ZINC000306731251 350899376 /nfs/dbraw/zinc/89/93/76/350899376.db2.gz QOUFRLMKEBVRHB-SECBINFHSA-N 1 0 201.310 0.850 10 0 BCAERO CC1(C)SC[C@H]1N1CC[C@@H]([NH3+])C1=O ZINC000306732747 350902297 /nfs/dbraw/zinc/90/22/97/350902297.db2.gz HJFRVYOZLJARJA-RNFRBKRXSA-N 1 0 200.307 0.440 10 0 BCAERO C[C@@H]1[C@H]([NH3+])CC[C@H]1Sc1nnnn1C ZINC000252467800 350912195 /nfs/dbraw/zinc/91/21/95/350912195.db2.gz BSXGWTQGICDOBD-FSDSQADBSA-N 1 0 213.310 0.428 10 0 BCAERO COC(=O)[C@@H]1CCCC[N@@H+]1C[C@H](C)CO ZINC000252727478 350914471 /nfs/dbraw/zinc/91/44/71/350914471.db2.gz GJORSIIMAGZHOD-UWVGGRQHSA-N 1 0 215.293 0.642 10 0 BCAERO OCC[N@@H+]1CCC[C@H](c2cncnc2)C1 ZINC000616618507 350916609 /nfs/dbraw/zinc/91/66/09/350916609.db2.gz XXEDWWHFQLYXBS-JTQLQIEISA-N 1 0 207.277 0.648 10 0 BCAERO OCC[N@@H+]1CCC[C@H](OC(F)(F)F)C1 ZINC000616618533 350917035 /nfs/dbraw/zinc/91/70/35/350917035.db2.gz YVKSHINVUWJQCK-ZETCQYMHSA-N 1 0 213.199 0.980 10 0 BCAERO NC(=O)c1ccc([C@@H]2CCCN(CC[NH3+])C2)cc1 ZINC000616620127 350933677 /nfs/dbraw/zinc/93/36/77/350933677.db2.gz FSLQDNUFEKSTJN-CYBMUJFWSA-N 1 0 247.342 0.924 10 0 BCAERO Cc1ccc(CN(C)CC[N@H+](C)CCO)o1 ZINC000623091492 350876249 /nfs/dbraw/zinc/87/62/49/350876249.db2.gz FDQLDSYVBKYNBX-UHFFFAOYSA-N 1 0 226.320 0.944 10 0 BCAERO CC[S@@](=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000306716421 350878828 /nfs/dbraw/zinc/87/88/28/350878828.db2.gz GBZRLWUOHJCXGG-TVQRCGJNSA-N 1 0 202.323 0.355 10 0 BCAERO N#Cc1ccc(NC[C@@H]2C[NH2+]CCCO2)cn1 ZINC000389828043 350879828 /nfs/dbraw/zinc/87/98/28/350879828.db2.gz UDLNAKYMASOLPB-LBPRGKRZSA-N 1 0 232.287 0.744 10 0 BCAERO CC(=O)[C@@H]1CCCN([C@H]2CCOC2=O)C1 ZINC000250517345 350882174 /nfs/dbraw/zinc/88/21/74/350882174.db2.gz HUWFBMFMNFBUOB-ZJUUUORDSA-N 1 0 211.261 0.603 10 0 BCAERO O=C(C(F)F)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000306724166 350892939 /nfs/dbraw/zinc/89/29/39/350892939.db2.gz IGGWWLNRDZTRBF-NKWVEPMBSA-N 1 0 204.220 0.462 10 0 BCAERO Cn1ncc(C(=O)CC2CC[NH2+]CC2)n1 ZINC000306772056 351009530 /nfs/dbraw/zinc/00/95/30/351009530.db2.gz DAIMJCXSOMWJLL-UHFFFAOYSA-N 1 0 208.265 0.388 10 0 BCAERO C[C@@H]([NH3+])C(=O)N1CCC=C(Br)C1 ZINC000404140877 351001465 /nfs/dbraw/zinc/00/14/65/351001465.db2.gz HMYWFQPEHAKDTB-ZCFIWIBFSA-N 1 0 233.109 0.845 10 0 BCAERO Cn1ccnc1[C@H](C[NH3+])NC(=O)OC(C)(C)C ZINC000306770553 351003932 /nfs/dbraw/zinc/00/39/32/351003932.db2.gz BTKYYJUOUJHCTK-QMMMGPOBSA-N 1 0 240.307 0.945 10 0 BCAERO CN1CCN(Cc2cccc(NN)[nH+]2)CC1 ZINC000086116362 350946090 /nfs/dbraw/zinc/94/60/90/350946090.db2.gz YYOBXSCYCHHHFM-UHFFFAOYSA-N 1 0 221.308 0.115 10 0 BCAERO Nc1ncc([C@]2(O)CCC[C@H]([NH3+])C2)s1 ZINC000159852829 351017679 /nfs/dbraw/zinc/01/76/79/351017679.db2.gz OLVINXXIFKQRQG-RCOVLWMOSA-N 1 0 213.306 0.814 10 0 BCAERO Cc1nnc(-c2ccc(OCCC[NH3+])cc2)nn1 ZINC000222807673 351025129 /nfs/dbraw/zinc/02/51/29/351025129.db2.gz GDNRZRYXVIJHCO-UHFFFAOYSA-N 1 0 245.286 0.970 10 0 BCAERO C[C@H]([C@H](C)[NH3+])N1CCC[S@@](=O)CC1 ZINC000306786088 351033753 /nfs/dbraw/zinc/03/37/53/351033753.db2.gz KPAJNOHATPNZFR-IGJMFERPSA-N 1 0 204.339 0.177 10 0 BCAERO O[C@H]1CCC[C@@H]1SC1=[NH+]CCCN1 ZINC000306787477 351037915 /nfs/dbraw/zinc/03/79/15/351037915.db2.gz QPMGEKLOWFMHOA-YUMQZZPRSA-N 1 0 200.307 0.982 10 0 BCAERO COC1(C)CN([C@H]2C[NH2+]C[C@H]2SC)C1 ZINC000306791810 351041402 /nfs/dbraw/zinc/04/14/02/351041402.db2.gz ZCQYASHUFMLPAO-DTWKUNHWSA-N 1 0 216.350 0.411 10 0 BCAERO OC1(CSC2=[NH+]CCN2)CCCC1 ZINC000306791204 351041648 /nfs/dbraw/zinc/04/16/48/351041648.db2.gz WSEKIENZLLQHJU-UHFFFAOYSA-N 1 0 200.307 0.984 10 0 BCAERO CC(C)[S@@](=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000306793507 351041950 /nfs/dbraw/zinc/04/19/50/351041950.db2.gz FCDHRDVECCQVLD-TVQRCGJNSA-N 1 0 204.339 0.729 10 0 BCAERO C[C@H]1CCN(C(=O)C(C)(F)F)CC[NH2+]1 ZINC000306791537 351042263 /nfs/dbraw/zinc/04/22/63/351042263.db2.gz YBHPZEODGFEWHL-ZETCQYMHSA-N 1 0 206.236 0.852 10 0 BCAERO CCCCOC[C@H](O)C[N@@H+]1CC[C@H](O)[C@@H](C)C1 ZINC000336700960 351044747 /nfs/dbraw/zinc/04/47/47/351044747.db2.gz IOARKNXTFDHEPF-XQQFMLRXSA-N 1 0 245.363 0.867 10 0 BCAERO COC[C@H](C)C[NH2+][C@H]1CCOC[C@H]1O ZINC000628466487 358459044 /nfs/dbraw/zinc/45/90/44/358459044.db2.gz BPTUPIMWLCXVGS-KXUCPTDWSA-N 1 0 203.282 0.008 10 0 BCAERO CC(C)[S@@](=O)N1CC[NH2+]C(C)(C)C1 ZINC000306809423 351061441 /nfs/dbraw/zinc/06/14/41/351061441.db2.gz RYVJWXKCNOOMCN-CYBMUJFWSA-N 1 0 204.339 0.742 10 0 BCAERO C[C@H](Cn1cccn1)NC(=O)[C@@]1(C)CCC[NH2+]1 ZINC000079512238 351067549 /nfs/dbraw/zinc/06/75/49/351067549.db2.gz GOWVJZQMAJYDFL-ZYHUDNBSSA-N 1 0 236.319 0.530 10 0 BCAERO CN1CCCN(C)[C@@H](C2=NC(=O)CS2)C1 ZINC000306810485 351064694 /nfs/dbraw/zinc/06/46/94/351064694.db2.gz USJJUWGGAROIIM-MRVPVSSYSA-N 1 0 227.333 0.294 10 0 BCAERO CCC[S@@](=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000306810588 351064907 /nfs/dbraw/zinc/06/49/07/351064907.db2.gz UUAGKAWDUSIAFC-ISTVAULSSA-N 1 0 216.350 0.886 10 0 BCAERO [NH3+]CCN1CCCC[C@@H](n2ccnc2)C1 ZINC000616629879 351101682 /nfs/dbraw/zinc/10/16/82/351101682.db2.gz RGPMJCPYNHHPFR-LLVKDONJSA-N 1 0 208.309 0.869 10 0 BCAERO CC[N@@H+]1CCN[C@H](c2cccc(N)n2)C1 ZINC000616632401 351111043 /nfs/dbraw/zinc/11/10/43/351111043.db2.gz IIGLRTLVVLNKHH-JTQLQIEISA-N 1 0 206.293 0.630 10 0 BCAERO OCCN1CC[NH2+][C@@H](c2ccccc2F)C1 ZINC000616632429 351111052 /nfs/dbraw/zinc/11/10/52/351111052.db2.gz QPBUHDZYEUKPOI-GFCCVEGCSA-N 1 0 224.279 0.764 10 0 BCAERO CN1CC[NH2+][C@H](c2ccc(C(N)=O)cc2)C1 ZINC000616632946 351113856 /nfs/dbraw/zinc/11/38/56/351113856.db2.gz SLVZMVTULKQORF-NSHDSACASA-N 1 0 219.288 0.362 10 0 BCAERO CC(C)(C)[N@@H+]1CCN[C@H](c2c[nH]nn2)C1 ZINC000616633480 351115143 /nfs/dbraw/zinc/11/51/43/351115143.db2.gz AVCHKPLRUVEDTJ-VIFPVBQESA-N 1 0 209.297 0.550 10 0 BCAERO CNc1ccc([C@@H]2CN(CCO)CC[NH2+]2)cc1 ZINC000616633895 351116239 /nfs/dbraw/zinc/11/62/39/351116239.db2.gz GFZHAOXPMZTNCQ-ZDUSSCGKSA-N 1 0 235.331 0.667 10 0 BCAERO [NH3+]CCN1CC[NH2+][C@H](c2ccc(C(=O)[O-])cc2)C1 ZINC000616634178 351116952 /nfs/dbraw/zinc/11/69/52/351116952.db2.gz NCIJEIAVJLOUKH-LBPRGKRZSA-N 1 0 249.314 0.290 10 0 BCAERO CN(Cc1cnn(C)c1)C(=O)[C@@]1(C)CCC[NH2+]1 ZINC000079516584 351070376 /nfs/dbraw/zinc/07/03/76/351070376.db2.gz QAVHTWIIYAEDED-GFCCVEGCSA-N 1 0 236.319 0.521 10 0 BCAERO [NH3+][C@@H]1CCN([S@@](=O)C2CCCC2)C1 ZINC000306811159 351077396 /nfs/dbraw/zinc/07/73/96/351077396.db2.gz WCJXWEXSBCBNOR-OQPBUACISA-N 1 0 202.323 0.626 10 0 BCAERO [NH3+][C@@H]1CCN([S@](=O)C2CCCC2)C1 ZINC000306811157 351077531 /nfs/dbraw/zinc/07/75/31/351077531.db2.gz WCJXWEXSBCBNOR-AMIZOPFISA-N 1 0 202.323 0.626 10 0 BCAERO CC(C)(C)[S@](=O)[C@H]1C[NH2+]CC[C@]1(C)O ZINC000306820357 351094860 /nfs/dbraw/zinc/09/48/60/351094860.db2.gz IXQUYSIUSRNQSI-QEVYDEPDSA-N 1 0 219.350 0.647 10 0 BCAERO OCC[N@@H+]1CCCC[C@H](c2cnno2)C1 ZINC000616627559 351095914 /nfs/dbraw/zinc/09/59/14/351095914.db2.gz KPSDHNAZUWVSKE-VIFPVBQESA-N 1 0 211.265 0.631 10 0 BCAERO CC(C)(C)[N@@H+]1CCCC[C@H](S(N)(=O)=O)C1 ZINC000616629086 351100078 /nfs/dbraw/zinc/10/00/78/351100078.db2.gz ODYULCPXFXKATJ-VIFPVBQESA-N 1 0 234.365 0.928 10 0 BCAERO Cc1nnsc1[C@@H]1OC[C@H](C[NH3+])O1 ZINC000306838402 351148552 /nfs/dbraw/zinc/14/85/52/351148552.db2.gz XKRHOXYWBDPIIT-CAHLUQPWSA-N 1 0 201.251 0.219 10 0 BCAERO [NH3+]CCN1CCCO[C@@H](c2ccccn2)C1 ZINC000616655113 351192729 /nfs/dbraw/zinc/19/27/29/351192729.db2.gz SUAVUTHKJYGBPP-GFCCVEGCSA-N 1 0 221.304 0.804 10 0 BCAERO NC(=O)c1cccc([C@H]2C[NH2+]CCO2)c1 ZINC000616644007 351159936 /nfs/dbraw/zinc/15/99/36/351159936.db2.gz ALUDLWVKQOEPBM-SNVBAGLBSA-N 1 0 206.245 0.446 10 0 BCAERO [NH3+]CCN1CCCOC[C@@H]1c1cc[nH]n1 ZINC000616644754 351162519 /nfs/dbraw/zinc/16/25/19/351162519.db2.gz DHWDKOUPLQTKBJ-SNVBAGLBSA-N 1 0 210.281 0.132 10 0 BCAERO [NH3+][C@H]1CCCN(Cc2csc(=O)[nH]2)C1 ZINC000231716035 351163300 /nfs/dbraw/zinc/16/33/00/351163300.db2.gz XVXIOLCMRCFMPB-ZETCQYMHSA-N 1 0 213.306 0.360 10 0 BCAERO [NH3+]CCN1CCCO[C@@H](C(F)(F)F)C1 ZINC000616653899 351194998 /nfs/dbraw/zinc/19/49/98/351194998.db2.gz YONSXIRHGKRSRK-SSDOTTSWSA-N 1 0 212.215 0.598 10 0 BCAERO [NH3+]CCN1CCCOC[C@H]1C(F)(F)F ZINC000616645498 351167521 /nfs/dbraw/zinc/16/75/21/351167521.db2.gz OJTZWHMTXCWMPA-ZETCQYMHSA-N 1 0 212.215 0.598 10 0 BCAERO [NH3+]CCN1CCCOC[C@@H]1c1ccon1 ZINC000616646189 351170441 /nfs/dbraw/zinc/17/04/41/351170441.db2.gz PGWOAMDSMSUSLL-SNVBAGLBSA-N 1 0 211.265 0.397 10 0 BCAERO COC(=O)N1CCCOC[C@@H]1CC[NH3+] ZINC000616646490 351171714 /nfs/dbraw/zinc/17/17/14/351171714.db2.gz GVUKFXNVCQPJLO-QMMMGPOBSA-N 1 0 202.254 0.193 10 0 BCAERO OCC[N@@H+]1CCCO[C@H](c2ncc[nH]2)C1 ZINC000616649937 351181106 /nfs/dbraw/zinc/18/11/06/351181106.db2.gz QQOUMPQIKZQUHL-VIFPVBQESA-N 1 0 211.265 0.165 10 0 BCAERO CCOC(=O)N1CCCOC[C@H]1C[NH3+] ZINC000616649938 351181126 /nfs/dbraw/zinc/18/11/26/351181126.db2.gz QDIQLTSTBAKCSW-MRVPVSSYSA-N 1 0 202.254 0.193 10 0 BCAERO CCOC(=O)N1CCCO[C@@H]([NH2+]C)C1 ZINC000616652501 351185430 /nfs/dbraw/zinc/18/54/30/351185430.db2.gz NPRNFSJDVCCDDI-MRVPVSSYSA-N 1 0 202.254 0.411 10 0 BCAERO COC(=O)[C@H]1C[N@@H+](C(C)C)CCCO1 ZINC000616652620 351186109 /nfs/dbraw/zinc/18/61/09/351186109.db2.gz HOLDRNXCAIEZPJ-SECBINFHSA-N 1 0 201.266 0.659 10 0 BCAERO CCOC(=O)N1CCCO[C@H](CC[NH3+])C1 ZINC000616652762 351186292 /nfs/dbraw/zinc/18/62/92/351186292.db2.gz WEZXSHGMAMDMBS-SECBINFHSA-N 1 0 216.281 0.583 10 0 BCAERO COC(=O)N1CCCO[C@H](CC[NH3+])C1 ZINC000616653151 351186805 /nfs/dbraw/zinc/18/68/05/351186805.db2.gz YFBXJCMIWCUNKH-MRVPVSSYSA-N 1 0 202.254 0.193 10 0 BCAERO CN1CC[NH2+]C[C@H]1c1cccc(CCO)c1 ZINC000616636698 351127155 /nfs/dbraw/zinc/12/71/55/351127155.db2.gz GYNITLUZGHYZTI-ZDUSSCGKSA-N 1 0 220.316 0.798 10 0 BCAERO COC(=O)N1CCNC[C@H]1c1cncnc1 ZINC000616636741 351127164 /nfs/dbraw/zinc/12/71/64/351127164.db2.gz XXPVTEHUSNKBRT-VIFPVBQESA-N 1 0 222.248 0.189 10 0 BCAERO [NH3+]CCN1CC[NH2+]C[C@@H]1c1ccccc1C(=O)[O-] ZINC000616636778 351128716 /nfs/dbraw/zinc/12/87/16/351128716.db2.gz OMXIJPSEBUKWFZ-GFCCVEGCSA-N 1 0 249.314 0.290 10 0 BCAERO CC(C)(C)N1CC[NH2+]C[C@@H]1c1nc[nH]n1 ZINC000616636806 351128745 /nfs/dbraw/zinc/12/87/45/351128745.db2.gz DCSUSRUHPVNCAM-MRVPVSSYSA-N 1 0 209.297 0.550 10 0 BCAERO CC(C)N1CC[NH2+]C[C@@H]1c1ccnnc1 ZINC000616636912 351130503 /nfs/dbraw/zinc/13/05/03/351130503.db2.gz GMXHFZNGGFHUJX-LLVKDONJSA-N 1 0 206.293 0.831 10 0 BCAERO CC(=O)N1CCNC[C@@H]1OC(F)(F)F ZINC000616637254 351131559 /nfs/dbraw/zinc/13/15/59/351131559.db2.gz UKXXNERXMRQBKE-LURJTMIESA-N 1 0 212.171 0.301 10 0 BCAERO CC(C)(C)N1CC[NH2+]C[C@@H]1c1conn1 ZINC000616637501 351132331 /nfs/dbraw/zinc/13/23/31/351132331.db2.gz OAHBZINOHJRNQH-SECBINFHSA-N 1 0 210.281 0.814 10 0 BCAERO CC(C)(C)N1CC[NH2+]C[C@H]1c1cnno1 ZINC000616638004 351137360 /nfs/dbraw/zinc/13/73/60/351137360.db2.gz SXXWRRTZJKOWDS-QMMMGPOBSA-N 1 0 210.281 0.814 10 0 BCAERO CC(C)N1CC[NH2+]C[C@H]1c1ncccn1 ZINC000616637979 351137690 /nfs/dbraw/zinc/13/76/90/351137690.db2.gz SSXPIBYKSWCIAE-JTQLQIEISA-N 1 0 206.293 0.831 10 0 BCAERO NC(=O)N1CC[NH2+]C[C@H]1c1ccccc1CO ZINC000616638156 351137768 /nfs/dbraw/zinc/13/77/68/351137768.db2.gz FZUGUPZPAGGLAP-NSHDSACASA-N 1 0 235.287 0.204 10 0 BCAERO CN1CC[NH2+]C[C@@H]1c1ccc(C(N)=O)cc1 ZINC000616638353 351139173 /nfs/dbraw/zinc/13/91/73/351139173.db2.gz XKDARIKVGXRVCX-LLVKDONJSA-N 1 0 219.288 0.362 10 0 BCAERO [NH3+]CCN1CCCO[C@@H](c2c[nH]cn2)C1 ZINC000616655070 351191713 /nfs/dbraw/zinc/19/17/13/351191713.db2.gz RHYYGNFIQFXAOP-SNVBAGLBSA-N 1 0 210.281 0.132 10 0 BCAERO [NH3+]CCN1CCOC[C@@H]1c1ccc(CO)cc1 ZINC000616640059 351144686 /nfs/dbraw/zinc/14/46/86/351144686.db2.gz SEVXQIMJBCIYKD-CYBMUJFWSA-N 1 0 236.315 0.511 10 0 BCAERO NC(=O)N1c2ccccc2CC[C@@H]1C[NH3+] ZINC000616669614 351229790 /nfs/dbraw/zinc/22/97/90/351229790.db2.gz UFDWUPPSFNQQLC-SECBINFHSA-N 1 0 205.261 0.845 10 0 BCAERO C[NH2+][C@H](C)C(=O)N[C@@H](COC)C(C)C ZINC000083399370 351232355 /nfs/dbraw/zinc/23/23/55/351232355.db2.gz WFQCDTAVOOMZHG-BDAKNGLRSA-N 1 0 202.298 0.382 10 0 BCAERO COC[C@H](NC(=O)[C@]1(C)CCC[NH2+]1)C(C)C ZINC000083399630 351232570 /nfs/dbraw/zinc/23/25/70/351232570.db2.gz ZYLQEGXZEVDJFY-JQWIXIFHSA-N 1 0 228.336 0.916 10 0 BCAERO CC(=O)N[C@H]1Cc2ccccc2N(CC[NH3+])C1 ZINC000616671320 351233644 /nfs/dbraw/zinc/23/36/44/351233644.db2.gz JHMIMUSJPACZSV-LBPRGKRZSA-N 1 0 233.315 0.513 10 0 BCAERO [NH3+]CCN1C[C@H](c2nnc[nH]2)Cc2ccccc21 ZINC000616672894 351239543 /nfs/dbraw/zinc/23/95/43/351239543.db2.gz PNXWHZFOKRVLHK-LLVKDONJSA-N 1 0 243.314 0.910 10 0 BCAERO CS(C)(=O)=NC(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000306865000 351243866 /nfs/dbraw/zinc/24/38/66/351243866.db2.gz LNTLKHUWUZGLIA-YUMQZZPRSA-N 1 0 218.322 0.758 10 0 BCAERO CS(=O)(=O)N1c2ccccc2NC[C@H]1C[NH3+] ZINC000616684437 351255188 /nfs/dbraw/zinc/25/51/88/351255188.db2.gz KKFWBSFFXARPAX-MRVPVSSYSA-N 1 0 241.316 0.205 10 0 BCAERO C[NH2+][C@H]1Cc2ccccc2N(C(N)=O)C1 ZINC000616689274 351259253 /nfs/dbraw/zinc/25/92/53/351259253.db2.gz DPOAWIMSQQRDRG-VIFPVBQESA-N 1 0 205.261 0.716 10 0 BCAERO CS(=O)(=O)N1CCCO[C@@H](c2ncc[nH]2)C1 ZINC000616654429 351195573 /nfs/dbraw/zinc/19/55/73/351195573.db2.gz BSKLTYVLRLPINK-MRVPVSSYSA-N 1 0 245.304 0.133 10 0 BCAERO NC(=O)N1CCN[C@@H](c2cccc(F)c2)C1 ZINC000616654231 351195699 /nfs/dbraw/zinc/19/56/99/351195699.db2.gz ONXSWUXDWUEZRG-SNVBAGLBSA-N 1 0 223.251 0.851 10 0 BCAERO [NH3+][C@@H]1CC[C@@H](C(=O)NCCOC(F)(F)F)C1 ZINC000398138572 363018355 /nfs/dbraw/zinc/01/83/55/363018355.db2.gz OVDLTUIXKYADCQ-RNFRBKRXSA-N 1 0 240.225 0.766 10 0 BCAERO OCCN1CCOCC[C@@H]1c1ncco1 ZINC000616655893 351201845 /nfs/dbraw/zinc/20/18/45/351201845.db2.gz LJPGAKFAHHGMEL-SECBINFHSA-N 1 0 212.249 0.430 10 0 BCAERO Nc1ncccc1[C@@H]1CCOCCN1CCO ZINC000616656078 351201859 /nfs/dbraw/zinc/20/18/59/351201859.db2.gz IADBWALGYZULKQ-NSHDSACASA-N 1 0 237.303 0.420 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)NCCOC(F)(F)F ZINC000398137911 363018612 /nfs/dbraw/zinc/01/86/12/363018612.db2.gz SEIOKZOHRTYQLY-RNFRBKRXSA-N 1 0 240.225 0.495 10 0 BCAERO CC(C)[N@@H+]1CCCC[C@@H](S(N)(=O)=O)C1 ZINC000616656231 351202127 /nfs/dbraw/zinc/20/21/27/351202127.db2.gz URHVIQKRPHJALW-SECBINFHSA-N 1 0 220.338 0.538 10 0 BCAERO OCc1cccc([C@H]2C[NH2+]CCOC2)c1 ZINC000616658560 351204622 /nfs/dbraw/zinc/20/46/22/351204622.db2.gz AKMURJVGDBXUBU-LBPRGKRZSA-N 1 0 207.273 0.882 10 0 BCAERO [NH3+]CCN1CCOCC[C@@H]1c1ccncn1 ZINC000616658539 351204626 /nfs/dbraw/zinc/20/46/26/351204626.db2.gz VAYOTKXGXNHGAJ-LLVKDONJSA-N 1 0 222.292 0.199 10 0 BCAERO Nc1ccccc1[C@@H]1COCCN(CC[NH3+])C1 ZINC000616659061 351206162 /nfs/dbraw/zinc/20/61/62/351206162.db2.gz BRXHWGKOOGTULP-NSHDSACASA-N 1 0 235.331 0.643 10 0 BCAERO CN(C(=O)OC(C)(C)C)[C@H]1C[NH2+]CCOC1 ZINC000616659594 351208347 /nfs/dbraw/zinc/20/83/47/351208347.db2.gz GPBYAZFJWYHIFO-VIFPVBQESA-N 1 0 230.308 0.842 10 0 BCAERO [NH3+]CCN1CCOC[C@@H](OC(F)(F)F)C1 ZINC000616660034 351208930 /nfs/dbraw/zinc/20/89/30/351208930.db2.gz JRJLAEBTOWNUQV-ZETCQYMHSA-N 1 0 228.214 0.182 10 0 BCAERO Nc1ccc([C@@H]2COCCN(CC[NH3+])C2)cc1 ZINC000616660017 351208954 /nfs/dbraw/zinc/20/89/54/351208954.db2.gz JFDCYLZOFRRGHM-LBPRGKRZSA-N 1 0 235.331 0.643 10 0 BCAERO COC(=O)[C@H]1COCC[N@@H+](C(C)C)C1 ZINC000616661379 351209891 /nfs/dbraw/zinc/20/98/91/351209891.db2.gz RKUCPOGYRIUBIJ-SECBINFHSA-N 1 0 201.266 0.516 10 0 BCAERO CCOC(=O)[C@@H]1COCC[N@@H+](C(C)C)C1 ZINC000616661230 351213963 /nfs/dbraw/zinc/21/39/63/351213963.db2.gz NHCDONIHLQRXHZ-JTQLQIEISA-N 1 0 215.293 0.906 10 0 BCAERO COC(=O)N1CCO[C@@H](CC[NH3+])CC1 ZINC000616662978 351214842 /nfs/dbraw/zinc/21/48/42/351214842.db2.gz NJJMXROVHJVPBK-QMMMGPOBSA-N 1 0 202.254 0.193 10 0 BCAERO Nc1ccccc1[C@H]1COCCN(CC[NH3+])C1 ZINC000616662476 351218454 /nfs/dbraw/zinc/21/84/54/351218454.db2.gz BRXHWGKOOGTULP-LLVKDONJSA-N 1 0 235.331 0.643 10 0 BCAERO CC(C)(C)[C@H]1COCCN(CC[NH3+])C1 ZINC000616662584 351218489 /nfs/dbraw/zinc/21/84/89/351218489.db2.gz CNRQVJMDTRGCMQ-SNVBAGLBSA-N 1 0 200.326 0.940 10 0 BCAERO O=S(=O)(c1ccccc1)[C@H]1CC[NH2+]CCO1 ZINC000616664685 351220943 /nfs/dbraw/zinc/22/09/43/351220943.db2.gz ZFZNUPDELZKJNU-NSHDSACASA-N 1 0 241.312 0.796 10 0 BCAERO NC(=O)c1cccc([C@@H]2CC[NH2+]CCO2)c1 ZINC000616665132 351221675 /nfs/dbraw/zinc/22/16/75/351221675.db2.gz NRFGPRSCYLTYPP-NSHDSACASA-N 1 0 220.272 0.837 10 0 BCAERO [NH3+]CCN1CCO[C@H](c2cocn2)CC1 ZINC000616665800 351223258 /nfs/dbraw/zinc/22/32/58/351223258.db2.gz YEIQPEYQUWDIJY-JTQLQIEISA-N 1 0 211.265 0.397 10 0 BCAERO [NH3+]CCN1CCO[C@H](c2cnoc2)CC1 ZINC000616665767 351223359 /nfs/dbraw/zinc/22/33/59/351223359.db2.gz WPQGGGWDMZNFQD-JTQLQIEISA-N 1 0 211.265 0.397 10 0 BCAERO [NH3+]CCN1CCO[C@@H](c2ncco2)CC1 ZINC000616666289 351225608 /nfs/dbraw/zinc/22/56/08/351225608.db2.gz MWPGOVGTNOQJNI-SECBINFHSA-N 1 0 211.265 0.397 10 0 BCAERO C[C@@H](CC(N)=S)[N@@H+]1C[C@H](O)C(C)(C)C1 ZINC000306885384 351292306 /nfs/dbraw/zinc/29/23/06/351292306.db2.gz RHJPYYAEYROJID-YUMQZZPRSA-N 1 0 216.350 0.754 10 0 BCAERO O[C@@H]1COCC[C@@H]1[NH2+]CC[C@@H]1CCOC1 ZINC000628467296 358462751 /nfs/dbraw/zinc/46/27/51/358462751.db2.gz SNJYYVZZGSYBMH-OUAUKWLOSA-N 1 0 215.293 0.152 10 0 BCAERO C[C@H]([NH3+])C(=O)N1CCSCC[C@@H]1C ZINC000306903262 351317870 /nfs/dbraw/zinc/31/78/70/351317870.db2.gz RYBCUNNJBIFKGM-YUMQZZPRSA-N 1 0 202.323 0.688 10 0 BCAERO CCn1ccnc(NCC[C@H](C)[NH3+])c1=O ZINC000063171563 351268754 /nfs/dbraw/zinc/26/87/54/351268754.db2.gz MIAVQKKOCILQIW-QMMMGPOBSA-N 1 0 210.281 0.412 10 0 BCAERO [NH3+][C@H]1CCC[C@H]1NC(=O)c1cscn1 ZINC000063171870 351268910 /nfs/dbraw/zinc/26/89/10/351268910.db2.gz CIDGZFUAPBNYTF-NKWVEPMBSA-N 1 0 211.290 0.753 10 0 BCAERO Cc1cc(C[NH2+]C[C@H]2CC(=O)N(C)C2)on1 ZINC000631175316 351273406 /nfs/dbraw/zinc/27/34/06/351273406.db2.gz MOTQUIFAKSHCID-SECBINFHSA-N 1 0 223.276 0.551 10 0 BCAERO CC[C@H](C)[NH2+][C@@H](C)C(=O)N1CCOCC1 ZINC000034936720 351349908 /nfs/dbraw/zinc/34/99/08/351349908.db2.gz AEXNSMXCVJNPRT-UWVGGRQHSA-N 1 0 214.309 0.622 10 0 BCAERO CC[C@H](C)[NH2+][C@H](C)C(=O)N1CCOCC1 ZINC000034936722 351350007 /nfs/dbraw/zinc/35/00/07/351350007.db2.gz AEXNSMXCVJNPRT-VHSXEESVSA-N 1 0 214.309 0.622 10 0 BCAERO C[C@@H]([NH2+]C[C@@H]1CCCO1)C(=O)N1CCCC1 ZINC000034936750 351350347 /nfs/dbraw/zinc/35/03/47/351350347.db2.gz RZIQDRPQOFQNJT-MNOVXSKESA-N 1 0 226.320 0.766 10 0 BCAERO CCOCCC[NH2+][C@H](C)C(=O)N1CCOCC1 ZINC000034936838 351350931 /nfs/dbraw/zinc/35/09/31/351350931.db2.gz BFFRYPKUTTVZIT-LLVKDONJSA-N 1 0 244.335 0.250 10 0 BCAERO [NH3+]CC[S@@](=O)CCOCc1ccccc1 ZINC000306932876 351358925 /nfs/dbraw/zinc/35/89/25/351358925.db2.gz FNCXDHHOMJYQOI-OAHLLOKOSA-N 1 0 227.329 0.911 10 0 BCAERO C[C@]1(C(=O)N=S(C)(C)=O)CCC[C@H]1[NH3+] ZINC000307038336 351436371 /nfs/dbraw/zinc/43/63/71/351436371.db2.gz GZNDSSQYWYRIGT-APPZFPTMSA-N 1 0 218.322 0.758 10 0 BCAERO Nc1nnc(SCC2C[NH2+]C2)s1 ZINC000307047592 351447046 /nfs/dbraw/zinc/44/70/46/351447046.db2.gz ASFDWAOFKHLNNE-UHFFFAOYSA-N 1 0 202.308 0.432 10 0 BCAERO CCOC(=O)[C@@H](O)C[NH2+]Cc1ccccc1 ZINC000307053910 351458209 /nfs/dbraw/zinc/45/82/09/351458209.db2.gz QEDHPUNFFBTPAO-NSHDSACASA-N 1 0 223.272 0.700 10 0 BCAERO C[NH2+][C@@H]1CCOC2(C1)COCCOC2 ZINC000307066211 351462497 /nfs/dbraw/zinc/46/24/97/351462497.db2.gz SWZYJQSBBWXVJC-SECBINFHSA-N 1 0 201.266 0.170 10 0 BCAERO [NH3+][C@H](CC1OCCO1)c1ccns1 ZINC000306992179 351410368 /nfs/dbraw/zinc/41/03/68/351410368.db2.gz WCFICEDPXPNOQE-ZCFIWIBFSA-N 1 0 200.263 0.906 10 0 BCAERO C[C@H](CNC1C[NH2+]C1)N(C)C(=O)OC(C)(C)C ZINC000306997440 351411831 /nfs/dbraw/zinc/41/18/31/351411831.db2.gz WEFMYOAXWOWRJF-SECBINFHSA-N 1 0 243.351 0.803 10 0 BCAERO NC(=O)[C@H]([NH3+])CNc1ccsc1Cl ZINC000307011071 351419336 /nfs/dbraw/zinc/41/93/36/351419336.db2.gz JSJSBIPGCOUYNF-SCSAIBSYSA-N 1 0 219.697 0.626 10 0 BCAERO C[S@](=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000307129971 351492856 /nfs/dbraw/zinc/49/28/56/351492856.db2.gz KFPYWASJIMSGMQ-RBZYPMLTSA-N 1 0 216.350 0.886 10 0 BCAERO COC[C@H]([NH3+])C(=O)N[C@H](C)c1nc(C)cs1 ZINC000088004571 351510772 /nfs/dbraw/zinc/51/07/72/351510772.db2.gz USGQHVCSIVOWPE-SFYZADRCSA-N 1 0 243.332 0.602 10 0 BCAERO C[C@H]1C[NH2+]C[C@H]1c1c(Br)nnn1C ZINC000307099839 351478851 /nfs/dbraw/zinc/47/88/51/351478851.db2.gz XINXPGVMSXVFFK-NTSWFWBYSA-N 1 0 245.124 0.901 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N(C)C1CCCCC1 ZINC000088002331 351482225 /nfs/dbraw/zinc/48/22/25/351482225.db2.gz IJZZGIAXWCRUJL-SNVBAGLBSA-N 1 0 214.309 0.751 10 0 BCAERO FC(F)(F)CN1CCO[C@H]2C[NH2+]C[C@H]21 ZINC000307126684 351491606 /nfs/dbraw/zinc/49/16/06/351491606.db2.gz INSBFFDWJDYLCC-RQJHMYQMSA-N 1 0 210.199 0.221 10 0 BCAERO C[C@H]1C[NH2+]C[C@@H]1C(=O)N=S(C)(C)=O ZINC000307162755 351529429 /nfs/dbraw/zinc/52/94/29/351529429.db2.gz ILCBQTQUGALUKT-BQBZGAKWSA-N 1 0 204.295 0.096 10 0 BCAERO CC(C)(N1CC[C@@H]([NH3+])C1=O)C(F)(F)F ZINC000307165743 351530686 /nfs/dbraw/zinc/53/06/86/351530686.db2.gz NOAPHIABYNBJHS-RXMQYKEDSA-N 1 0 210.199 0.887 10 0 BCAERO Nc1n[nH]c(S[C@H]2CCCC[C@H]2[NH3+])n1 ZINC000232017237 351530897 /nfs/dbraw/zinc/53/08/97/351530897.db2.gz KEZNYICYLDWLDC-RITPCOANSA-N 1 0 213.310 0.749 10 0 BCAERO C[C@H]1[N@H+](Cc2ccccc2)CC[C@]1(O)C(N)=O ZINC000307180726 351573255 /nfs/dbraw/zinc/57/32/55/351573255.db2.gz LRNWQXTUUJDVBT-ZWNOBZJWSA-N 1 0 234.299 0.497 10 0 BCAERO CO[C@H]1C[NH2+][C@@H](C(=O)c2ccsn2)C1 ZINC000307186871 351588534 /nfs/dbraw/zinc/58/85/34/351588534.db2.gz NNYRRARXRXAUAR-HTRCEHHLSA-N 1 0 212.274 0.703 10 0 BCAERO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccnn1 ZINC000637815071 351654201 /nfs/dbraw/zinc/65/42/01/351654201.db2.gz QKWVKPJJWRMDNG-ULKQDVFKSA-N 1 0 232.287 0.489 10 0 BCAERO C[C@@H]1CSC[C@H]1NC(=O)[C@H]1CC[NH2+]1 ZINC000307216515 351616553 /nfs/dbraw/zinc/61/65/53/351616553.db2.gz AEWHKPNBIHLRPV-BWZBUEFSSA-N 1 0 200.307 0.216 10 0 BCAERO C[C@@H]1CSC[C@H]1NC(=O)[C@@H]1CC[NH2+]1 ZINC000307216517 351617068 /nfs/dbraw/zinc/61/70/68/351617068.db2.gz AEWHKPNBIHLRPV-GJMOJQLCSA-N 1 0 200.307 0.216 10 0 BCAERO Cn1c(N)nnc1SC[C@@H]1CCC[NH2+]C1 ZINC000043471892 180621374 /nfs/dbraw/zinc/62/13/74/180621374.db2.gz MFOURASWFONFIY-SSDOTTSWSA-N 1 0 227.337 0.489 10 0 BCAERO COC1CC(C(=O)N2CCC[C@@H]2C[NH3+])C1 ZINC000637858190 351719655 /nfs/dbraw/zinc/71/96/55/351719655.db2.gz WCYFBSOKCGXJKB-HWOCKDDLSA-N 1 0 212.293 0.361 10 0 BCAERO C[NH2+][C@]1(CN2CCSCC2)CCOC1 ZINC000307240206 351733202 /nfs/dbraw/zinc/73/32/02/351733202.db2.gz QCKREMRCFGRBQV-JTQLQIEISA-N 1 0 216.350 0.414 10 0 BCAERO COC1CC(C(=O)N[C@H]2CCC[C@@H]2C[NH3+])C1 ZINC000637850541 351708284 /nfs/dbraw/zinc/70/82/84/351708284.db2.gz KCHRSAJJAISCIW-SFXRXQKFSA-N 1 0 226.320 0.655 10 0 BCAERO CC[NH2+][C@H](C)C(=O)N(C)C[C@H]1CCCO1 ZINC000637909620 351779342 /nfs/dbraw/zinc/77/93/42/351779342.db2.gz SQDTUKFKSQVUSP-NXEZZACHSA-N 1 0 214.309 0.622 10 0 BCAERO CC(C)S(=O)(=O)N1CCC[C@H]([NH3+])CC1 ZINC000307254770 351788637 /nfs/dbraw/zinc/78/86/37/351788637.db2.gz YMQATQHPDPTAGE-VIFPVBQESA-N 1 0 220.338 0.538 10 0 BCAERO CC(C)S(=O)(=O)N1CCC[C@@H]([NH3+])CC1 ZINC000307254769 351788665 /nfs/dbraw/zinc/78/86/65/351788665.db2.gz YMQATQHPDPTAGE-SECBINFHSA-N 1 0 220.338 0.538 10 0 BCAERO CC[NH2+][C@H](C)C(=O)N[C@H]1CCC[C@H](O)C1 ZINC000637928126 351803187 /nfs/dbraw/zinc/80/31/87/351803187.db2.gz PDAJNXSOGKPIOH-UTLUCORTSA-N 1 0 214.309 0.404 10 0 BCAERO [NH3+][C@@H]1CC=C(C(=O)NCC[C@@H]2CCCO2)C1 ZINC000637901110 351770460 /nfs/dbraw/zinc/77/04/60/351770460.db2.gz ACCDNEMJAVERCR-MNOVXSKESA-N 1 0 224.304 0.719 10 0 BCAERO CC(C)CC[C@@H]([NH3+])C(=O)N[C@H]1CCCNC1=O ZINC000637958852 351834431 /nfs/dbraw/zinc/83/44/31/351834431.db2.gz XFOKCDZGRMOCRQ-ZJUUUORDSA-N 1 0 241.335 0.145 10 0 BCAERO C[C@@H]1C[C@@H](NC(=O)CC2([NH3+])CC2)CS1 ZINC000307262594 351809633 /nfs/dbraw/zinc/80/96/33/351809633.db2.gz SUCNMVIVCYCMSZ-HTQZYQBOSA-N 1 0 214.334 0.878 10 0 BCAERO C[C@H]1C[C@@H](NC(=O)CC2([NH3+])CC2)CS1 ZINC000307262595 351809898 /nfs/dbraw/zinc/80/98/98/351809898.db2.gz SUCNMVIVCYCMSZ-JGVFFNPUSA-N 1 0 214.334 0.878 10 0 BCAERO OC1CC[NH+]([C@H]2CCO[C@@]23CCOC3)CC1 ZINC000725269418 538101388 /nfs/dbraw/zinc/10/13/88/538101388.db2.gz TZXIUCFPHNVIGE-NWDGAFQWSA-N 1 0 227.304 0.391 10 0 BCAERO CO[C@@H]1C[NH2+][C@](C)(C(=O)N[C@H]2C[C@H]2C)C1 ZINC000637937747 351815478 /nfs/dbraw/zinc/81/54/78/351815478.db2.gz YSCUDFVEBHTXAO-HJGDQZAQSA-N 1 0 212.293 0.278 10 0 BCAERO CO[C@@H]1C[NH2+][C@@](C)(C(=O)N[C@@H]2CCCOC2)C1 ZINC000637981991 351856414 /nfs/dbraw/zinc/85/64/14/351856414.db2.gz NWJHEJSYERBQLF-JFGNBEQYSA-N 1 0 242.319 0.049 10 0 BCAERO CO[C@@H]1C[NH2+][C@](C)(C(=O)N[C@H]2CCCOC2)C1 ZINC000637981992 351856432 /nfs/dbraw/zinc/85/64/32/351856432.db2.gz NWJHEJSYERBQLF-NHCYSSNCSA-N 1 0 242.319 0.049 10 0 BCAERO [NH3+][C@H](CC(F)F)C(=O)Nc1cnns1 ZINC000307284527 351847375 /nfs/dbraw/zinc/84/73/75/351847375.db2.gz JHMNLZMHNDVJIV-GSVOUGTGSA-N 1 0 222.220 0.459 10 0 BCAERO OC1CC[NH+]([C@@H]2CCO[C@@]23CCOC3)CC1 ZINC000725269423 538101408 /nfs/dbraw/zinc/10/14/08/538101408.db2.gz TZXIUCFPHNVIGE-VXGBXAGGSA-N 1 0 227.304 0.391 10 0 BCAERO O=C(N[C@H]1CCOC12CC[NH2+]CC2)C1CC1 ZINC000725269458 538101588 /nfs/dbraw/zinc/10/15/88/538101588.db2.gz LPINAKHLXNJHHQ-JTQLQIEISA-N 1 0 224.304 0.424 10 0 BCAERO CCC[C@H]1C[C@@H]1NC(=O)c1cnc(C[NH3+])nc1 ZINC000638039057 351920284 /nfs/dbraw/zinc/92/02/84/351920284.db2.gz RNVKTWADOCWBDY-WPRPVWTQSA-N 1 0 234.303 0.854 10 0 BCAERO Cn1ncc(C[C@@H]([NH3+])[C@@H]2CCCS2)n1 ZINC000307305002 351931920 /nfs/dbraw/zinc/93/19/20/351931920.db2.gz QZQRXLWUJGQVBK-BDAKNGLRSA-N 1 0 212.322 0.581 10 0 BCAERO CC(C)[S@](=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000307336448 352053296 /nfs/dbraw/zinc/05/32/96/352053296.db2.gz FHWNLUYZFTYDNM-RWEMILLDSA-N 1 0 204.339 0.741 10 0 BCAERO CC(C)[S@](=O)N1C[C@H](C)C[C@@H]([NH3+])C1 ZINC000307335447 352054682 /nfs/dbraw/zinc/05/46/82/352054682.db2.gz MZYCEYFPABYRGR-KKFJDGPESA-N 1 0 204.339 0.728 10 0 BCAERO [NH3+]Cc1cccc(NS(=O)(=O)C2CC2)n1 ZINC000725270065 538101891 /nfs/dbraw/zinc/10/18/91/538101891.db2.gz DVAABEPDYFBQKM-UHFFFAOYSA-N 1 0 227.289 0.444 10 0 BCAERO C[C@@H]1OCC[C@@H]1NC(=O)[C@]1(C[NH3+])CCCOC1 ZINC000638168815 352032327 /nfs/dbraw/zinc/03/23/27/352032327.db2.gz HUYOBXWJKAYKML-NHCYSSNCSA-N 1 0 242.319 0.036 10 0 BCAERO C[C@@H]1C[C@H](C(=O)NC[C@@H]2CC[NH2+]C2)[C@@H](C)O1 ZINC000638164422 352032330 /nfs/dbraw/zinc/03/23/30/352032330.db2.gz HUIXDCRNJRFTIB-DBIOUOCHSA-N 1 0 226.320 0.526 10 0 BCAERO CC1(C(=O)N[C@H]2CCOC23CC[NH2+]CC3)CC1 ZINC000725270150 538101935 /nfs/dbraw/zinc/10/19/35/538101935.db2.gz XXZQMIVYITXRML-JTQLQIEISA-N 1 0 238.331 0.814 10 0 BCAERO C[NH2+][C@H](C)CNC(=O)[C@H](CC(C)C)NC(C)=O ZINC000638220556 352079422 /nfs/dbraw/zinc/07/94/22/352079422.db2.gz RNFUQVLESGAACK-KOLCDFICSA-N 1 0 243.351 0.261 10 0 BCAERO C([NH2+]C[C@H]1COCCO1)[C@@H]1CCCCO1 ZINC000037999962 187591394 /nfs/dbraw/zinc/59/13/94/187591394.db2.gz BNPRTELJYGSHRD-QWRGUYRKSA-N 1 0 215.293 0.561 10 0 BCAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)[C@@H]1CCCC12CC2 ZINC000638231225 352083801 /nfs/dbraw/zinc/08/38/01/352083801.db2.gz PKYHBPAERVSDNH-DCAQKATOSA-N 1 0 238.331 0.263 10 0 BCAERO C([NH2+]C[C@H]1COCCO1)[C@@H]1CCOC1 ZINC000038060506 187592334 /nfs/dbraw/zinc/59/23/34/187592334.db2.gz IAXPAYJOHMWVGA-UWVGGRQHSA-N 1 0 201.266 0.028 10 0 BCAERO COC1CC(C(=O)N2CC[C@H]([NH3+])[C@H]2C)C1 ZINC000638235360 352086439 /nfs/dbraw/zinc/08/64/39/352086439.db2.gz OAMRDUWJKMMYPS-WOOKNIGNSA-N 1 0 212.293 0.360 10 0 BCAERO O=C(Nc1ncc(Cl)s1)C1C[NH2+]C1 ZINC000307342320 352091549 /nfs/dbraw/zinc/09/15/49/352091549.db2.gz VPGIQGAVPMVGFP-UHFFFAOYSA-N 1 0 217.681 0.954 10 0 BCAERO CC[NH2+][C@@H](C)C(=O)NCCn1cc(C)cn1 ZINC000638278622 352114720 /nfs/dbraw/zinc/11/47/20/352114720.db2.gz SOHXQYLBLJLFJQ-JTQLQIEISA-N 1 0 224.308 0.306 10 0 BCAERO Cc1conc1C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000638331577 352153904 /nfs/dbraw/zinc/15/39/04/352153904.db2.gz KWJAVEVDKBTGNG-HTRCEHHLSA-N 1 0 209.249 0.402 10 0 BCAERO [NH3+][C@H]1CCOC12CCN(C(=O)CC1CC1)CC2 ZINC000725270184 538102074 /nfs/dbraw/zinc/10/20/74/538102074.db2.gz YFZCYGIWJHMIJL-NSHDSACASA-N 1 0 238.331 0.895 10 0 BCAERO CC(C)C(=O)N1CCC2(CC1)OCC[C@@H]2[NH3+] ZINC000725270132 538102143 /nfs/dbraw/zinc/10/21/43/538102143.db2.gz XVXBFIKKKNZGRE-JTQLQIEISA-N 1 0 226.320 0.751 10 0 BCAERO COC1CCC(NC(=O)[C@H]2C[C@H](F)C[NH2+]2)CC1 ZINC000638446840 352256892 /nfs/dbraw/zinc/25/68/92/352256892.db2.gz ZYSQXLPCXLAIJR-IDWGSYCQSA-N 1 0 244.310 0.760 10 0 BCAERO C[C@H](CO)[NH2+][C@@H]1CCC[C@@]23C[C@@H](CO2)[C@@H]13 ZINC000725270710 538102464 /nfs/dbraw/zinc/10/24/64/538102464.db2.gz CXZRGBKULWAHSA-LVEVGFFFSA-N 1 0 211.305 0.914 10 0 BCAERO C[C@H]1CN(C(=O)[C@H]2COCCN2)C[C@H]1C ZINC000219829646 363141850 /nfs/dbraw/zinc/14/18/50/363141850.db2.gz PCTDVIDIARRULK-KXUCPTDWSA-N 1 0 212.293 0.089 10 0 BCAERO C[C@@H](CNC(=O)[C@@H]1C[C@H]1C)N1CCOCC1 ZINC000252154505 363180566 /nfs/dbraw/zinc/18/05/66/363180566.db2.gz OZNMLIIELIHRBV-OUAUKWLOSA-N 1 0 226.320 0.479 10 0 BCAERO COC(=O)[C@H](CCCC[NH3+])[C@@H]1CCOC1 ZINC000725271403 538102915 /nfs/dbraw/zinc/10/29/15/538102915.db2.gz MCKUQXZHIURRNF-NXEZZACHSA-N 1 0 215.293 0.941 10 0 BCAERO CC(C)C(=O)N1CCC[NH2+]CCOCC1 ZINC000725271383 538103109 /nfs/dbraw/zinc/10/31/09/538103109.db2.gz LJAJVQTUWOFQPP-UHFFFAOYSA-N 1 0 214.309 0.481 10 0 BCAERO CC(C)N(C)C(=O)CN(C)[C@H](C[NH3+])C1CC1 ZINC000126755827 187706930 /nfs/dbraw/zinc/70/69/30/187706930.db2.gz HXPLSAPDRKJFOA-LLVKDONJSA-N 1 0 227.352 0.522 10 0 BCAERO O=C(NC1CCCC1)[C@H](F)C1C[NH2+]C1 ZINC000307369445 352458651 /nfs/dbraw/zinc/45/86/51/352458651.db2.gz QYRNWCYQAYJPAB-SECBINFHSA-N 1 0 200.257 0.603 10 0 BCAERO C[NH2+][C@H](C)C(=O)N[C@@H]1[C@H](C)O[C@H](C)[C@H]1C ZINC000638629367 352470541 /nfs/dbraw/zinc/47/05/41/352470541.db2.gz NDRXTQRGLZAVMF-VFCFLDTKSA-N 1 0 214.309 0.522 10 0 BCAERO C[C@H]1CC[C@H](NC(=O)[C@H]2CCCO2)C[NH2+]1 ZINC000638642885 352485489 /nfs/dbraw/zinc/48/54/89/352485489.db2.gz KIIUIHQDILFZCJ-LPEHRKFASA-N 1 0 212.293 0.422 10 0 BCAERO C[NH2+]CCC1=NCCN1C(=O)CC1CC1 ZINC000725273208 538104348 /nfs/dbraw/zinc/10/43/48/538104348.db2.gz XJHKEBMIVQADNB-UHFFFAOYSA-N 1 0 209.293 0.637 10 0 BCAERO [NH3+]CCCOCCNC(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000638663252 352506861 /nfs/dbraw/zinc/50/68/61/352506861.db2.gz KOMULCNDYDIHMH-JGPRNRPPSA-N 1 0 226.320 0.514 10 0 BCAERO CCCCNC(=O)N1CC(F)(C[NH3+])C1 ZINC000725272400 538104131 /nfs/dbraw/zinc/10/41/31/538104131.db2.gz DAZNORXKTZVXNO-UHFFFAOYSA-N 1 0 203.261 0.479 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N1CCO[C@H](CCF)C1 ZINC000638684510 352522273 /nfs/dbraw/zinc/52/22/73/352522273.db2.gz SYDSLBUJWGMDHD-ZJUUUORDSA-N 1 0 232.299 0.701 10 0 BCAERO O=C(N[C@@H]1CO[C@H](C2CC2)C1)[C@@H]1CC[NH2+]C1 ZINC000638695482 352532485 /nfs/dbraw/zinc/53/24/85/352532485.db2.gz OIVJCDXSNGJLBH-VWYCJHECSA-N 1 0 224.304 0.280 10 0 BCAERO O=C(N[C@H]1CO[C@@H](C2CC2)C1)[C@@H]1CC[NH2+]C1 ZINC000638695478 352532538 /nfs/dbraw/zinc/53/25/38/352532538.db2.gz OIVJCDXSNGJLBH-GMTAPVOTSA-N 1 0 224.304 0.280 10 0 BCAERO C[NH2+][C@H](C)C(=O)N[C@H]1CCOC1(C)C ZINC000307431547 352595069 /nfs/dbraw/zinc/59/50/69/352595069.db2.gz LTMUGRHXFLKMQD-SFYZADRCSA-N 1 0 200.282 0.278 10 0 BCAERO C[C@@H]([NH3+])[C@@](C)(O)c1c(Br)cnn1C ZINC000307444299 352597392 /nfs/dbraw/zinc/59/73/92/352597392.db2.gz UTOWRQUWEPXLKA-SVGQVSJJSA-N 1 0 248.124 0.737 10 0 BCAERO C[C@@H]1C[NH2+]C[C@@]1(C)CNC(=O)C(F)(F)F ZINC000307451439 352607287 /nfs/dbraw/zinc/60/72/87/352607287.db2.gz SCAHVYRHJJGKTG-SVRRBLITSA-N 1 0 224.226 0.911 10 0 BCAERO C[C@H]1C[NH2+]C[C@@]1(C)CNC(=O)C(F)(F)F ZINC000307451440 352608397 /nfs/dbraw/zinc/60/83/97/352608397.db2.gz SCAHVYRHJJGKTG-XPUUQOCRSA-N 1 0 224.226 0.911 10 0 BCAERO CC1(C)SC[C@@H]1N1C[C@H]([NH3+])CC1=O ZINC000307474720 352615986 /nfs/dbraw/zinc/61/59/86/352615986.db2.gz JQLNCDUHAFMJDY-RQJHMYQMSA-N 1 0 200.307 0.440 10 0 BCAERO C[C@H](C(N)=S)[N@@H+]1CCN(C)C[C@H]1C ZINC000300355185 352559494 /nfs/dbraw/zinc/55/94/94/352559494.db2.gz HJTXLCKUAZRQLT-HTQZYQBOSA-N 1 0 201.339 0.297 10 0 BCAERO CC[C@@H]1CN(C)CCC[N@@H+]1C[C@@H](C)O ZINC000300354829 352559578 /nfs/dbraw/zinc/55/95/78/352559578.db2.gz JYTXLMJNLYXHHF-GHMZBOCLSA-N 1 0 200.326 0.783 10 0 BCAERO CCS(=O)(=O)N1CCC[C@H]([NH3+])[C@H]1C ZINC000307399772 352571938 /nfs/dbraw/zinc/57/19/38/352571938.db2.gz XVQTZNKJAPEBQD-SFYZADRCSA-N 1 0 206.311 0.148 10 0 BCAERO C[C@H]1C[NH2+]CC[C@@H]1C(=O)N=S(C)(C)=O ZINC000307405063 352580530 /nfs/dbraw/zinc/58/05/30/352580530.db2.gz CQQJFWTYPXAYED-YUMQZZPRSA-N 1 0 218.322 0.486 10 0 BCAERO CC1([NH3+])CCN(C(=O)C(F)(F)F)CC1 ZINC000307532043 352639418 /nfs/dbraw/zinc/63/94/18/352639418.db2.gz YMYBOXCZCLZXTR-UHFFFAOYSA-N 1 0 210.199 0.889 10 0 BCAERO Cc1nn(C)cc1C(=O)C1=CC[C@H]([NH3+])C1 ZINC000307540207 352643981 /nfs/dbraw/zinc/64/39/81/352643981.db2.gz VRYWTGIPYFNGGW-IUCAKERBSA-N 1 0 205.261 0.815 10 0 BCAERO C[C@@H](C(N)=S)[N@@H+]1CCO[C@@H](C)[C@H]1C ZINC000307543039 352644867 /nfs/dbraw/zinc/64/48/67/352644867.db2.gz DVDGKPOGYOUJQC-CSMHCCOUSA-N 1 0 202.323 0.770 10 0 BCAERO O=S1(=O)CC([NH2+][C@@H]2CC[C@H]3C[C@H]32)C1 ZINC000307542118 352645716 /nfs/dbraw/zinc/64/57/16/352645716.db2.gz YQFHLBSQIBMBQS-NBEYISGCSA-N 1 0 201.291 0.172 10 0 BCAERO C[C@@H]1CC[C@H]1[NH2+][C@@H]1C=CS(=O)(=O)C1 ZINC000307545308 352646574 /nfs/dbraw/zinc/64/65/74/352646574.db2.gz JMLYCIVCEKIMKG-IWSPIJDZSA-N 1 0 201.291 0.685 10 0 BCAERO C[NH2+][C@@H]1CCOC[C@@H]1Cc1csnn1 ZINC000307564342 352652652 /nfs/dbraw/zinc/65/26/52/352652652.db2.gz DGFUQBQNHXOPLJ-IONNQARKSA-N 1 0 213.306 0.705 10 0 BCAERO CN1C[C@H]([NH2+]C2CSC2)CCC1=O ZINC000307564136 352652776 /nfs/dbraw/zinc/65/27/76/352652776.db2.gz BDUSAZAVULKELB-SSDOTTSWSA-N 1 0 200.307 0.312 10 0 BCAERO C[C@@]1(c2cccnc2)C[NH2+]C[C@@H]1C(N)=O ZINC000229226505 352659941 /nfs/dbraw/zinc/65/99/41/352659941.db2.gz SMSXUAFHCRZVFQ-KOLCDFICSA-N 1 0 205.261 0.044 10 0 BCAERO Cc1ccccc1[C@H]1C[NH2+]C[C@@H]1C(N)=O ZINC000229235156 352666282 /nfs/dbraw/zinc/66/62/82/352666282.db2.gz SFVKEOLHFPPNIT-MNOVXSKESA-N 1 0 204.273 0.783 10 0 BCAERO NC(=O)[C@@H]([NH3+])CNc1cc(F)cc(F)c1 ZINC000232443557 352666844 /nfs/dbraw/zinc/66/68/44/352666844.db2.gz OSTFCVCZXOYKSY-QMMMGPOBSA-N 1 0 215.203 0.189 10 0 BCAERO CC[C@H](C(N)=S)[N@@H+]1CCC[C@H](O)[C@H]1C ZINC000307493499 352624803 /nfs/dbraw/zinc/62/48/03/352624803.db2.gz APHAGTQQEVCWIW-HLTSFMKQSA-N 1 0 216.350 0.896 10 0 BCAERO Cn1cc(C(=O)C[C@@H]2CSCC[NH2+]2)nn1 ZINC000307498769 352626536 /nfs/dbraw/zinc/62/65/36/352626536.db2.gz PYTJORBIEBHSSB-SSDOTTSWSA-N 1 0 226.305 0.093 10 0 BCAERO CCC(=[NH2+])N1CCC[C@@H](S(C)(=O)=O)C1 ZINC000307523471 352634366 /nfs/dbraw/zinc/63/43/66/352634366.db2.gz CNQDQRLHBAGDNF-MRVPVSSYSA-N 1 0 218.322 0.883 10 0 BCAERO C[C@H]1C[NH2+]CC[C@@H]1C(=O)c1cn(C)cn1 ZINC000307526433 352634637 /nfs/dbraw/zinc/63/46/37/352634637.db2.gz IXXJBZJYWTZACT-IUCAKERBSA-N 1 0 207.277 0.848 10 0 BCAERO C[C@@H]1C[NH2+]CC[C@H]1C(=O)c1cn(C)cn1 ZINC000307526434 352634909 /nfs/dbraw/zinc/63/49/09/352634909.db2.gz IXXJBZJYWTZACT-RKDXNWHRSA-N 1 0 207.277 0.848 10 0 BCAERO CC(C)[S@](=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000307623909 352694442 /nfs/dbraw/zinc/69/44/42/352694442.db2.gz IIUFZEBKKKBLEA-KKFJDGPESA-N 1 0 204.339 0.728 10 0 BCAERO CC[NH2+][C@H]1CCN(S(C)(=O)=O)C[C@H]1C ZINC000253151775 538105097 /nfs/dbraw/zinc/10/50/97/538105097.db2.gz HYOOJOOQEYMUON-BDAKNGLRSA-N 1 0 220.338 0.266 10 0 BCAERO CC(C)C[NH+]1CCN([C@H]2CCOC[C@H]2O)CC1 ZINC000725273371 538105115 /nfs/dbraw/zinc/10/51/15/538105115.db2.gz XGMAMPNQYHSVJC-QWHCGFSZSA-N 1 0 242.363 0.410 10 0 BCAERO C[C@@H](C[NH3+])CNc1cnn(C)c(=O)c1Cl ZINC000420222529 192177437 /nfs/dbraw/zinc/17/74/37/192177437.db2.gz XLSQDHKJCPMMQX-LURJTMIESA-N 1 0 230.699 0.440 10 0 BCAERO COc1nc([C@]2(O)CC[NH2+]C2)cs1 ZINC000307688467 352920911 /nfs/dbraw/zinc/92/09/11/352920911.db2.gz LZUHAJLHUFFUBE-QMMMGPOBSA-N 1 0 200.263 0.333 10 0 BCAERO CO[C@H]1C[C@@H](CNC(=O)[C@H]2C[C@H](F)C[NH2+]2)C1 ZINC000638806553 352979503 /nfs/dbraw/zinc/97/95/03/352979503.db2.gz IFJWCIRPZIIUBV-AXTSPUMRSA-N 1 0 230.283 0.228 10 0 BCAERO CC(C)(C)[C@H]1CC[C@H](S(N)(=O)=O)C[NH2+]1 ZINC000232519778 352980205 /nfs/dbraw/zinc/98/02/05/352980205.db2.gz RKMIBSXTNQUIAL-JGVFFNPUSA-N 1 0 220.338 0.442 10 0 BCAERO O=C(N[C@@H]1CCCC12CC2)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000638834259 353015993 /nfs/dbraw/zinc/01/59/93/353015993.db2.gz NXWDEVVSPGRVJZ-OPRDCNLKSA-N 1 0 224.304 0.158 10 0 BCAERO C[C@@H]1C[NH2+]C[C@]12CCCS(=O)(=O)C2 ZINC000306608612 353029593 /nfs/dbraw/zinc/02/95/93/353029593.db2.gz JIULBOGJYJBAPD-BDAKNGLRSA-N 1 0 203.307 0.421 10 0 BCAERO NNc1nc(N2CCC2)c(Br)c[nH+]1 ZINC000306670974 353033540 /nfs/dbraw/zinc/03/35/40/353033540.db2.gz FDXFYOQFGKYTTE-UHFFFAOYSA-N 1 0 244.096 0.735 10 0 BCAERO CC[C@@](C)(NC(=O)[C@H]1C[NH2+]CCOC1)C1CC1 ZINC000638858558 353034996 /nfs/dbraw/zinc/03/49/96/353034996.db2.gz SPBACTAZSBTGNN-GXFFZTMASA-N 1 0 240.347 0.917 10 0 BCAERO CC[C@@](C)(NC(=O)[C@H]([NH3+])COC)C1CC1 ZINC000638858496 353035030 /nfs/dbraw/zinc/03/50/30/353035030.db2.gz RFROICWMPIROIX-MWLCHTKSSA-N 1 0 214.309 0.655 10 0 BCAERO CNC(=S)N[C@@H]1CCC[C@H]1[NH+](C)C ZINC000306696267 353035603 /nfs/dbraw/zinc/03/56/03/353035603.db2.gz WIHVQQTWZXZQPM-HTQZYQBOSA-N 1 0 201.339 0.563 10 0 BCAERO [NH3+][C@H](c1cscn1)[C@@H]1COCCO1 ZINC000306304676 353002683 /nfs/dbraw/zinc/00/26/83/353002683.db2.gz IIRWMPFCENKXMR-JGVFFNPUSA-N 1 0 200.263 0.558 10 0 BCAERO CCN1CC[C@@H](NC(=O)C[C@@H]([NH3+])C(C)C)C1=O ZINC000638825908 353007665 /nfs/dbraw/zinc/00/76/65/353007665.db2.gz XWLSZJHWGHWBCP-NXEZZACHSA-N 1 0 241.335 0.097 10 0 BCAERO O=C(N[C@H]1CCCC12CC2)[C@H]1C[NH2+]CCOC1 ZINC000638832050 353012538 /nfs/dbraw/zinc/01/25/38/353012538.db2.gz DGJRPDAFHMQAOI-QWRGUYRKSA-N 1 0 238.331 0.671 10 0 BCAERO C[C@@H]1CN(C(=O)c2ccon2)C[C@@H]1C[NH3+] ZINC000638889417 353058040 /nfs/dbraw/zinc/05/80/40/353058040.db2.gz UXSZGOPZYLERRG-SFYZADRCSA-N 1 0 209.249 0.341 10 0 BCAERO C[C@H]1CN(C(=O)c2ccon2)C[C@H]1C[NH3+] ZINC000638889415 353058122 /nfs/dbraw/zinc/05/81/22/353058122.db2.gz UXSZGOPZYLERRG-JGVFFNPUSA-N 1 0 209.249 0.341 10 0 BCAERO C[C@@H]1CN(C(=O)c2ccon2)C[C@H]1C[NH3+] ZINC000638889413 353058152 /nfs/dbraw/zinc/05/81/52/353058152.db2.gz UXSZGOPZYLERRG-HTQZYQBOSA-N 1 0 209.249 0.341 10 0 BCAERO C[C@@H]1CN(C(=O)c2ccc[nH]2)C[C@H]1C[NH3+] ZINC000638890051 353058662 /nfs/dbraw/zinc/05/86/62/353058662.db2.gz WMDSTWYMJLKHQM-RKDXNWHRSA-N 1 0 207.277 0.682 10 0 BCAERO C[C@H]1CN(C(=O)c2ccc[nH]2)C[C@H]1C[NH3+] ZINC000638890048 353058678 /nfs/dbraw/zinc/05/86/78/353058678.db2.gz WMDSTWYMJLKHQM-DTWKUNHWSA-N 1 0 207.277 0.682 10 0 BCAERO COC[C@H](C)CC(=O)N1C[C@H](C)[C@H](C[NH3+])C1 ZINC000638890264 353058889 /nfs/dbraw/zinc/05/88/89/353058889.db2.gz DHNRFUMGUKRRHR-OUAUKWLOSA-N 1 0 228.336 0.712 10 0 BCAERO CC(C)[C@@H](C)[NH+]1CCN(CCO)CC1 ZINC000319455976 538107548 /nfs/dbraw/zinc/10/75/48/538107548.db2.gz AOSOKCLKQSAIFD-LLVKDONJSA-N 1 0 200.326 0.641 10 0 BCAERO O=[S@@](C1CCCC1)[C@@H]1C[NH2+]C[C@H]1O ZINC000307243077 353063047 /nfs/dbraw/zinc/06/30/47/353063047.db2.gz SOILMHWRFDQLSJ-KKFJDGPESA-N 1 0 203.307 0.010 10 0 BCAERO Cc1nnsc1C(=O)N1C[C@H](C)[C@H](C[NH3+])C1 ZINC000638903844 353065062 /nfs/dbraw/zinc/06/50/62/353065062.db2.gz PNADCYKRUUKQFN-POYBYMJQSA-N 1 0 240.332 0.513 10 0 BCAERO Cc1[nH]nc(C(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)c1C ZINC000638910323 353070060 /nfs/dbraw/zinc/07/00/60/353070060.db2.gz DJMABPDCYJTGFU-GMSGAONNSA-N 1 0 236.319 0.693 10 0 BCAERO Nc1cccn(CCC[NH+]2CCCC2)c1=O ZINC000050445728 187953740 /nfs/dbraw/zinc/95/37/40/187953740.db2.gz SYRQSQRYCJGNQC-UHFFFAOYSA-N 1 0 221.304 0.916 10 0 BCAERO CC(C)(C)OC(=O)[C@]1(O)CCCC[C@@H]1[NH3+] ZINC000083263335 538107272 /nfs/dbraw/zinc/10/72/72/538107272.db2.gz PSQOOADKSLXCDF-KWQFWETISA-N 1 0 215.293 0.961 10 0 BCAERO C[C@H]1CN(C(=O)c2ccco2)C[C@@H]1C[NH3+] ZINC000638889035 353049977 /nfs/dbraw/zinc/04/99/77/353049977.db2.gz ZRRBPIQQBIMGEY-IUCAKERBSA-N 1 0 208.261 0.946 10 0 BCAERO C[C@@H](C(=O)N1C[C@@H](C)[C@@H](C[NH3+])C1)n1cccn1 ZINC000638883950 353050943 /nfs/dbraw/zinc/05/09/43/353050943.db2.gz CUOFLLHVNLPILX-VWYCJHECSA-N 1 0 236.319 0.497 10 0 BCAERO Cc1cc(C(=O)N2C[C@H](C)[C@H](C[NH3+])C2)on1 ZINC000638884194 353051221 /nfs/dbraw/zinc/05/12/21/353051221.db2.gz AZULPCPQHYHFFD-IONNQARKSA-N 1 0 223.276 0.650 10 0 BCAERO C[C@@H]1CN(C(=O)c2cccn2C)C[C@H]1C[NH3+] ZINC000638884318 353051225 /nfs/dbraw/zinc/05/12/25/353051225.db2.gz GYOXRPQLVQFERY-NXEZZACHSA-N 1 0 221.304 0.692 10 0 BCAERO C[C@H]1CN(C(=O)c2cccn2C)C[C@@H]1C[NH3+] ZINC000638884319 353051613 /nfs/dbraw/zinc/05/16/13/353051613.db2.gz GYOXRPQLVQFERY-UWVGGRQHSA-N 1 0 221.304 0.692 10 0 BCAERO CC1(C)CCN(CC[NH3+])CC[S@@]1=O ZINC000307057814 353052169 /nfs/dbraw/zinc/05/21/69/353052169.db2.gz ANCZTNDASMIVBF-ZDUSSCGKSA-N 1 0 204.339 0.178 10 0 BCAERO C[C@@H]1CN(C(=O)CC[C@H]2CCCO2)C[C@@H]1C[NH3+] ZINC000638887044 353053766 /nfs/dbraw/zinc/05/37/66/353053766.db2.gz CEMHWKAEKBXTSE-GRYCIOLGSA-N 1 0 240.347 0.999 10 0 BCAERO Cc1cc(C(=O)N2C[C@@H](C)[C@@H](C[NH3+])C2)nn1C ZINC000638886985 353053799 /nfs/dbraw/zinc/05/37/99/353053799.db2.gz BYBTTYDEQBGSBC-SCZZXKLOSA-N 1 0 236.319 0.395 10 0 BCAERO C[C@@H]1CN(C(=O)c2ccn(C)c(=O)c2)C[C@@H]1C[NH3+] ZINC000638886791 353053844 /nfs/dbraw/zinc/05/38/44/353053844.db2.gz SSBUIUMKTQOSEI-KOLCDFICSA-N 1 0 249.314 0.052 10 0 BCAERO C[C@@H]1CN(C(=O)[C@@H]2CCCOC2)C[C@H]1C[NH3+] ZINC000638887017 353053995 /nfs/dbraw/zinc/05/39/95/353053995.db2.gz BZIKLVQVGJVUIX-GMTAPVOTSA-N 1 0 226.320 0.466 10 0 BCAERO C[C@@H]1CN(C(=O)c2cc[nH]n2)C[C@@H]1C[NH3+] ZINC000638887072 353054173 /nfs/dbraw/zinc/05/41/73/353054173.db2.gz CRNAAZFFJWFCTP-SFYZADRCSA-N 1 0 208.265 0.077 10 0 BCAERO Cc1ncoc1C(=O)N1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000638892997 353054627 /nfs/dbraw/zinc/05/46/27/353054627.db2.gz LAOFWVSFAIRAKC-CBAPKCEASA-N 1 0 223.276 0.650 10 0 BCAERO Cc1nccc(C(=O)N2C[C@H](C)[C@@H](C[NH3+])C2)n1 ZINC000638893122 353054706 /nfs/dbraw/zinc/05/47/06/353054706.db2.gz QYEPMVQNXSCHSU-WPRPVWTQSA-N 1 0 234.303 0.452 10 0 BCAERO C[C@H]1CN(C(=O)CCn2cccn2)C[C@H]1C[NH3+] ZINC000638894395 353055392 /nfs/dbraw/zinc/05/53/92/353055392.db2.gz OGXOLVIIZKOJCK-WDEREUQCSA-N 1 0 236.319 0.326 10 0 BCAERO C[C@@H]1CN(C(=O)c2ccc(F)cn2)C[C@H]1C[NH3+] ZINC000638894496 353055412 /nfs/dbraw/zinc/05/54/12/353055412.db2.gz PPKNNMDEEOFWOU-RKDXNWHRSA-N 1 0 237.278 0.888 10 0 BCAERO C[C@@H]1CN(C(=O)Cc2cnn(C)c2)C[C@@H]1C[NH3+] ZINC000638896172 353056657 /nfs/dbraw/zinc/05/66/57/353056657.db2.gz VWQLODDJVQSZNC-KOLCDFICSA-N 1 0 236.319 0.016 10 0 BCAERO C[C@@H]1CN(C(=O)c2cscn2)C[C@H]1C[NH3+] ZINC000638896540 353057163 /nfs/dbraw/zinc/05/71/63/353057163.db2.gz ZQICXQOYODMNIF-HTQZYQBOSA-N 1 0 225.317 0.810 10 0 BCAERO CC(C)C[C@@H]1COCCN1C(=O)[C@@H]1CC[NH2+]C1 ZINC000236644408 187976410 /nfs/dbraw/zinc/97/64/10/187976410.db2.gz UBGKUQWVMCFDDU-VXGBXAGGSA-N 1 0 240.347 0.869 10 0 BCAERO C[C@@H]1[C@]2(CCS1(=O)=O)C[NH2+]C[C@H]2C ZINC000307720185 353109505 /nfs/dbraw/zinc/10/95/05/353109505.db2.gz TUHMUEPTCSMQRE-IWSPIJDZSA-N 1 0 203.307 0.419 10 0 BCAERO C[C@H]1C[NH2+]C[C@H]1C(=O)NCCc1ccccn1 ZINC000104225560 187978666 /nfs/dbraw/zinc/97/86/66/187978666.db2.gz CUUFZVFJYHRFRO-CMPLNLGQSA-N 1 0 233.315 0.596 10 0 BCAERO CC(C)(CCCO)CNC(=O)[C@@H]1CCC[NH2+]C1 ZINC000227992738 187984451 /nfs/dbraw/zinc/98/44/51/187984451.db2.gz PNUUGJRHDANCAA-LLVKDONJSA-N 1 0 242.363 0.901 10 0 BCAERO CNc1ccc(C(=O)N[C@@H](C)C[NH3+])s1 ZINC000307696622 353094368 /nfs/dbraw/zinc/09/43/68/353094368.db2.gz KTKORGYKAWZZMF-LURJTMIESA-N 1 0 213.306 0.867 10 0 BCAERO CN(C(=O)C(C)(C)F)[C@H]1CCC[NH2+]C1 ZINC000307749673 353126839 /nfs/dbraw/zinc/12/68/39/353126839.db2.gz HNTLKOXKSCKZLG-QMMMGPOBSA-N 1 0 202.273 0.945 10 0 BCAERO [NH3+]C1(C(=O)NCC(F)(F)Br)CC1 ZINC000307751640 353127932 /nfs/dbraw/zinc/12/79/32/353127932.db2.gz OUJCHYJQPHRQBK-UHFFFAOYSA-N 1 0 243.051 0.582 10 0 BCAERO C[C@H](O)[C@H](C)[N@@H+]1CCCC2(C1)OCCO2 ZINC000134012636 353141766 /nfs/dbraw/zinc/14/17/66/353141766.db2.gz CSJDRMNTNSBMIH-UWVGGRQHSA-N 1 0 215.293 0.595 10 0 BCAERO C[C@@H](O)[C@H](C)[N@@H+]1CCCC2(C1)OCCO2 ZINC000134012264 353141895 /nfs/dbraw/zinc/14/18/95/353141895.db2.gz CSJDRMNTNSBMIH-VHSXEESVSA-N 1 0 215.293 0.595 10 0 BCAERO CC(C)(C[NH3+])C(=O)N1CCN2CCCC[C@@H]2C1 ZINC000094439475 188049490 /nfs/dbraw/zinc/04/94/90/188049490.db2.gz ZEMUONDRJHTEBP-LLVKDONJSA-N 1 0 239.363 0.668 10 0 BCAERO CC1(C)/C(=C\CS(C)(=O)=O)C[C@@H]1[NH3+] ZINC000405232146 353149484 /nfs/dbraw/zinc/14/94/84/353149484.db2.gz BPAKXSKGLKRHJO-NZGHECTNSA-N 1 0 203.307 0.715 10 0 BCAERO COC[C@H]([NH3+])C(=O)Nc1csc(C)c1 ZINC000638993910 353227669 /nfs/dbraw/zinc/22/76/69/353227669.db2.gz FXQOUEKCOGSXPL-QMMMGPOBSA-N 1 0 214.290 0.969 10 0 BCAERO CCN(Cc1ccccn1)C(=O)[C@@H]([NH3+])COC ZINC000160027521 353253379 /nfs/dbraw/zinc/25/33/79/353253379.db2.gz BBWZPXJIJYWWOX-NSHDSACASA-N 1 0 237.303 0.404 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N[C@@H](C)CC1CCC1 ZINC000638995999 353239210 /nfs/dbraw/zinc/23/92/10/353239210.db2.gz HNWHBFCYHUFPQU-WCBMZHEXSA-N 1 0 214.309 0.655 10 0 BCAERO CC(C)CNC(=O)CN(C)[C@H]1CCC[NH2+]CC1 ZINC000228300320 188254275 /nfs/dbraw/zinc/25/42/75/188254275.db2.gz KWHSUTDNKYNKAF-LBPRGKRZSA-N 1 0 241.379 0.833 10 0 BCAERO C(CN1CC[N@@H+]2CCCC[C@H]2C1)C1OCCO1 ZINC000125002951 188257769 /nfs/dbraw/zinc/25/77/69/188257769.db2.gz HIDZXSPHUPPKEK-LBPRGKRZSA-N 1 0 240.347 0.920 10 0 BCAERO CC1(C)OC(=O)N2Cc3cccc[n+]3C[C@@]21O ZINC000000053398 188272274 /nfs/dbraw/zinc/27/22/74/188272274.db2.gz KQTBLIFBHQPXSX-LBPRGKRZSA-N 1 0 235.263 0.407 10 0 BCAERO COC[C@H]([NH3+])C(=O)N[C@H]1C[C@H](C)C[C@H](C)C1 ZINC000252198239 353296868 /nfs/dbraw/zinc/29/68/68/353296868.db2.gz VVJFOUZZFNLAEB-ZDCRXTMVSA-N 1 0 228.336 0.901 10 0 BCAERO C([NH2+]C[C@H]1COCCO1)[C@@H]1CCCO1 ZINC000038061943 188282607 /nfs/dbraw/zinc/28/26/07/188282607.db2.gz YZDPVGVCDFTZLF-UWVGGRQHSA-N 1 0 201.266 0.170 10 0 BCAERO COc1ccccc1NC(=O)C[NH2+]C[C@@H](C)O ZINC000035101857 188285251 /nfs/dbraw/zinc/28/52/51/188285251.db2.gz KNKDNZMRIDIMQK-SECBINFHSA-N 1 0 238.287 0.604 10 0 BCAERO CC[C@H](CC[NH3+])N1CCCN(C(C)=O)CC1 ZINC000037039019 188286385 /nfs/dbraw/zinc/28/63/85/188286385.db2.gz RSZZKLVRPKAUSQ-GFCCVEGCSA-N 1 0 227.352 0.668 10 0 BCAERO CC(=O)N1CCN([C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000037157990 188286797 /nfs/dbraw/zinc/28/67/97/188286797.db2.gz YRSOMLGNEYIVPJ-OLZOCXBDSA-N 1 0 239.363 0.668 10 0 BCAERO CC(C)[C@H]([NH3+])C(=O)N(CCO)C1CCCC1 ZINC000037824820 188288038 /nfs/dbraw/zinc/28/80/38/188288038.db2.gz ASBQOXSEPWTCFS-NSHDSACASA-N 1 0 228.336 0.733 10 0 BCAERO COc1ccc(O[C@H](C)C(N)=O)c(CC[NH3+])c1 ZINC000037720073 188288529 /nfs/dbraw/zinc/28/85/29/188288529.db2.gz ATOAPTPKEFCMLB-MRVPVSSYSA-N 1 0 238.287 0.449 10 0 BCAERO COc1ccc([C@@H](C(N)=O)N2CC[NH2+]CC2)cc1 ZINC000037945749 188288957 /nfs/dbraw/zinc/28/89/57/188288957.db2.gz HYRFUJQFHPWRTB-LBPRGKRZSA-N 1 0 249.314 0.127 10 0 BCAERO CC(C)([NH3+])C(=O)N(C[C@H]1CCOC1)C1CC1 ZINC000040924183 188292530 /nfs/dbraw/zinc/29/25/30/188292530.db2.gz UZMSYJNDJOCVKY-SECBINFHSA-N 1 0 226.320 0.751 10 0 BCAERO CC(C)N(CCO)C(=O)[C@@H]1[NH2+]CCC[C@@H]1C ZINC000051794167 188299550 /nfs/dbraw/zinc/29/95/50/188299550.db2.gz LLSFFQNWHLZQNR-WDEREUQCSA-N 1 0 228.336 0.604 10 0 BCAERO CC(C)N(CC(N)=O)C(=O)[C@@H]1[NH2+]CCC[C@@H]1C ZINC000051794153 188299575 /nfs/dbraw/zinc/29/95/75/188299575.db2.gz AEKAFOLNZLHWQC-GXSJLCMTSA-N 1 0 241.335 0.097 10 0 BCAERO CC1(C)NC(=O)N(CC[C@@H]2CCC[NH2+]C2)C1=O ZINC000051919723 188299853 /nfs/dbraw/zinc/29/98/53/188299853.db2.gz REIVUKHDOQFGDT-VIFPVBQESA-N 1 0 239.319 0.707 10 0 BCAERO CO[C@@H]1CCCN(C(=O)[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000234871037 188301633 /nfs/dbraw/zinc/30/16/33/188301633.db2.gz GBGIEDVGYYTUBI-GMTAPVOTSA-N 1 0 226.320 0.479 10 0 BCAERO CC(C)[C@H](C)[NH2+][C@@H]1CC(=O)N(C2CC2)C1=O ZINC000102666748 188322866 /nfs/dbraw/zinc/32/28/66/188322866.db2.gz OLUHHSCYVCEGBD-WCBMZHEXSA-N 1 0 224.304 0.910 10 0 BCAERO CC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)O)C1 ZINC000189961634 353335502 /nfs/dbraw/zinc/33/55/02/353335502.db2.gz VVNZHERICOLGOK-SECBINFHSA-N 1 0 214.309 0.358 10 0 BCAERO CC(C)C[C@@H](C[NH3+])CC(=O)N1CCOCC1 ZINC000076613131 188309404 /nfs/dbraw/zinc/30/94/04/188309404.db2.gz RLIMWUJPJGLBLC-LLVKDONJSA-N 1 0 228.336 0.856 10 0 BCAERO CC(C)[NH2+]C[C@@H]([NH3+])C[C@@H](C)CC(=O)[O-] ZINC000521400994 363214728 /nfs/dbraw/zinc/21/47/28/363214728.db2.gz DPPAKUHDLLOUGS-BDAKNGLRSA-N 1 0 202.298 0.813 10 0 BCAERO CC(C)N(C)S(=O)(=O)N1CCCC[C@@H]1N ZINC000042520475 188324331 /nfs/dbraw/zinc/32/43/31/188324331.db2.gz KOJZVSGIGUEDRR-SECBINFHSA-N 1 0 235.353 0.342 10 0 BCAERO C[C@@H]([NH3+])C(=O)Nc1ccc(Cl)nn1 ZINC000160167835 353362213 /nfs/dbraw/zinc/36/22/13/353362213.db2.gz FVCAGMPKMOXXFZ-SCSAIBSYSA-N 1 0 200.629 0.416 10 0 BCAERO CC(C)(O)C[N@@H+]1CCC[C@H](CO)CC1 ZINC000306322727 188330447 /nfs/dbraw/zinc/33/04/47/188330447.db2.gz UNZKHVVDYZMEHX-JTQLQIEISA-N 1 0 201.310 0.852 10 0 BCAERO CC(C)(C)[C@@H]([NH3+])C(=O)NC[C@H]1CCCO1 ZINC000077558626 188333318 /nfs/dbraw/zinc/33/33/18/188333318.db2.gz UTBVMBYQZDEVFN-BDAKNGLRSA-N 1 0 214.309 0.655 10 0 BCAERO C[NH2+]CC(=O)Nc1ccc(Cl)nn1 ZINC000160176024 353376156 /nfs/dbraw/zinc/37/61/56/353376156.db2.gz FWNNVQFLMOTZIS-UHFFFAOYSA-N 1 0 200.629 0.288 10 0 BCAERO C[C@H]([NH3+])CC(=O)Nc1ccc(Cl)nn1 ZINC000160180331 353376903 /nfs/dbraw/zinc/37/69/03/353376903.db2.gz RPHLPJDJVDWITE-YFKPBYRVSA-N 1 0 214.656 0.806 10 0 BCAERO CC(=O)CC(=O)NCCC[NH+]1CCCC1 ZINC000019413048 188350115 /nfs/dbraw/zinc/35/01/15/188350115.db2.gz OVOGWKNEYUDKAI-UHFFFAOYSA-N 1 0 212.293 0.568 10 0 BCAERO CC(C)(C[NH3+])C(=O)NC[C@@H]1CCOC1 ZINC000061146841 188360499 /nfs/dbraw/zinc/36/04/99/188360499.db2.gz MLADNKMTCNJRHE-QMMMGPOBSA-N 1 0 200.282 0.124 10 0 BCAERO CC(C)(O)c1nc([C@@H]2CCC[NH2+]C2)no1 ZINC000062257673 188360964 /nfs/dbraw/zinc/36/09/64/188360964.db2.gz AGERJKGIHCMEMY-SSDOTTSWSA-N 1 0 211.265 0.764 10 0 BCAERO Cc1cc(N2CCO[C@@H]([C@H](C)[NH3+])C2)c(C#N)cn1 ZINC000398971709 353401064 /nfs/dbraw/zinc/40/10/64/353401064.db2.gz AOANDLMWOXVMGF-GXFFZTMASA-N 1 0 246.314 0.814 10 0 BCAERO CC(C)(O)c1cn([C@@H]2CCCC[C@H]2[NH3+])nn1 ZINC000238852851 188370095 /nfs/dbraw/zinc/37/00/95/188370095.db2.gz HKBLQTVOWXHXQK-RKDXNWHRSA-N 1 0 224.308 0.948 10 0 BCAERO CC(C)[N@H+](C)C[C@@H](O)Cn1ccc(N)n1 ZINC000308982450 538117546 /nfs/dbraw/zinc/11/75/46/538117546.db2.gz FLOFNDFMNDZZDV-SECBINFHSA-N 1 0 212.297 0.166 10 0 BCAERO C[C@H](O)CNC(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000218875250 353491788 /nfs/dbraw/zinc/49/17/88/353491788.db2.gz FMKONZZTEJTSQB-XHNCKOQMSA-N 1 0 200.282 0.001 10 0 BCAERO N#Cc1cnccc1NC[C@H]1CC[NH2+]C1 ZINC000399017235 353588220 /nfs/dbraw/zinc/58/82/20/353588220.db2.gz CTKYJRKFHYAZHZ-VIFPVBQESA-N 1 0 202.261 0.397 10 0 BCAERO CN(Cc1cn(C)nn1)[C@@H]1CCC[NH2+]CC1 ZINC000231462528 353605557 /nfs/dbraw/zinc/60/55/57/353605557.db2.gz WQZZRLQQCUYHFS-LLVKDONJSA-N 1 0 223.324 0.389 10 0 BCAERO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)[C@H]3CCCO3)C[C@@H]21 ZINC000231770948 353652003 /nfs/dbraw/zinc/65/20/03/353652003.db2.gz RMZYMGHVGILMTR-NNYUYHANSA-N 1 0 238.331 0.751 10 0 BCAERO Fc1cccc(NC[C@H]2CN3CCN2CC3)n1 ZINC000301752581 181001458 /nfs/dbraw/zinc/00/14/58/181001458.db2.gz BOEDLOTWBDMVNN-JTQLQIEISA-N 1 0 236.294 0.632 10 0 BCAERO CC(C)c1nc(CN2C[C@H]([NH3+])[C@@H](C)C2)no1 ZINC000232772388 353761100 /nfs/dbraw/zinc/76/11/00/353761100.db2.gz FPYBRNAZHFTQJK-IUCAKERBSA-N 1 0 224.308 0.972 10 0 BCAERO Fc1cnc(OC[C@@H]2CCC[NH2+]C2)nc1 ZINC000095072031 181018515 /nfs/dbraw/zinc/01/85/15/181018515.db2.gz XIFDSWVMLLQYMQ-MRVPVSSYSA-N 1 0 211.240 0.994 10 0 BCAERO COC(=O)CN(C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000220384578 353838815 /nfs/dbraw/zinc/83/88/15/353838815.db2.gz CSANFJQGMHDBDY-SNVBAGLBSA-N 1 0 226.320 0.623 10 0 BCAERO CC(C)S(=O)(=O)[C@@H]1CC[C@@H]([NH3+])[C@H]1C ZINC000252469269 363284104 /nfs/dbraw/zinc/28/41/04/363284104.db2.gz RAKSQZYGLKRJAM-IWSPIJDZSA-N 1 0 205.323 0.935 10 0 BCAERO Cc1nnc2n1C[C@H]([NH2+]CC1(F)CC1)CC2 ZINC000309886733 491059409 /nfs/dbraw/zinc/05/94/09/491059409.db2.gz YUGZKXWDGULACH-SECBINFHSA-N 1 0 224.283 0.993 10 0 BCAERO CC1(C)[C@H](C[NH3+])[C@@]12CCS(=O)(=O)C2 ZINC000301025681 363339050 /nfs/dbraw/zinc/33/90/50/363339050.db2.gz RUGHLJWYCSYPNB-CBAPKCEASA-N 1 0 203.307 0.406 10 0 BCAERO OCCN(CC(F)F)C[C@H]1CCC[NH2+]C1 ZINC000231618302 363345962 /nfs/dbraw/zinc/34/59/62/363345962.db2.gz DWUQUQYLDRYLRJ-VIFPVBQESA-N 1 0 222.279 0.545 10 0 BCAERO CC1(C)[C@H]([NH3+])[C@@]12CCCS(=O)(=O)C2 ZINC000301038346 363358516 /nfs/dbraw/zinc/35/85/16/363358516.db2.gz YAPKDJFNTHTPCN-CBAPKCEASA-N 1 0 203.307 0.549 10 0 BCAERO Cn1c(Cl)cnc1[C@@H]1OCC[C@H]1[NH3+] ZINC000301040730 363369197 /nfs/dbraw/zinc/36/91/97/363369197.db2.gz WEMOLFPUJWSYQF-IYSWYEEDSA-N 1 0 201.657 0.862 10 0 BCAERO [NH3+][C@@H]1CS(=O)(=O)C[C@H]1c1ccccc1 ZINC000004226951 354335576 /nfs/dbraw/zinc/33/55/76/354335576.db2.gz VQAFTUFHYRBINW-VHSXEESVSA-N 1 0 211.286 0.526 10 0 BCAERO [NH3+][C@@H]1CS(=O)(=O)C[C@@H]1c1ccccc1 ZINC000004226952 354335886 /nfs/dbraw/zinc/33/58/86/354335886.db2.gz VQAFTUFHYRBINW-NXEZZACHSA-N 1 0 211.286 0.526 10 0 BCAERO Cn1c(Cl)cnc1[C@@H]1OC[C@H](C[NH3+])O1 ZINC000301046261 363374318 /nfs/dbraw/zinc/37/43/18/363374318.db2.gz YISLFGFNHKGWFA-YLWLKBPMSA-N 1 0 217.656 0.446 10 0 BCAERO CC[C@H]([NH3+])[C@@H](O)c1ncc(Cl)n1C ZINC000301048076 363379859 /nfs/dbraw/zinc/37/98/59/363379859.db2.gz ZBFYUCRBSUBFQS-CAHLUQPWSA-N 1 0 203.673 0.844 10 0 BCAERO O[C@H]1C[NH2+]CCN(C/C(Cl)=C\Cl)C1 ZINC000308210234 354869333 /nfs/dbraw/zinc/86/93/33/354869333.db2.gz WAEGXBHSRXZTPL-DKCNVOGISA-N 1 0 225.119 0.572 10 0 BCAERO CC[C@H](COC)NC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000234038830 363413232 /nfs/dbraw/zinc/41/32/32/363413232.db2.gz FZQTZYTWYHUUCO-OPRDCNLKSA-N 1 0 214.309 0.383 10 0 BCAERO CC[C@@H]([NH3+])CNc1nnnn1-c1ccccc1 ZINC000113452075 355002155 /nfs/dbraw/zinc/00/21/55/355002155.db2.gz BUXKDPWAWJUZGH-SECBINFHSA-N 1 0 232.291 0.812 10 0 BCAERO C[C@H](O)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000087414561 355216270 /nfs/dbraw/zinc/21/62/70/355216270.db2.gz BAOHTXMXGHBJGQ-VIFPVBQESA-N 1 0 207.277 0.545 10 0 BCAERO CC(C)n1ncnc1CN1CCC[C@H]1C[NH3+] ZINC000083978784 355177594 /nfs/dbraw/zinc/17/75/94/355177594.db2.gz XWDIYNNCYJFVFZ-JTQLQIEISA-N 1 0 223.324 0.782 10 0 BCAERO CO[C@]1(C[N@@H+]2C[C@H](C)C[C@@H](O)C2)CCOC1 ZINC000639241636 355227094 /nfs/dbraw/zinc/22/70/94/355227094.db2.gz KXHVWGMJRHVPMH-UTUOFQBUSA-N 1 0 229.320 0.495 10 0 BCAERO C[C@@H]1CN(C(=O)[C@H]2CC23CCOCC3)C[C@@H]1[NH3+] ZINC000583499208 355332590 /nfs/dbraw/zinc/33/25/90/355332590.db2.gz WICKRKAKMPCGOV-MXWKQRLJSA-N 1 0 238.331 0.609 10 0 BCAERO C[C@@H]([NH3+])[C@@H](C)C(=O)Nc1cnns1 ZINC000166316683 355382600 /nfs/dbraw/zinc/38/26/00/355382600.db2.gz PWJLVXYFMWJOGP-RFZPGFLSSA-N 1 0 200.267 0.460 10 0 BCAERO NC(=[NH2+])Cn1nnc(-c2ccccc2)n1 ZINC000019817941 181188573 /nfs/dbraw/zinc/18/85/73/181188573.db2.gz JYBPDDQFCZKVLR-UHFFFAOYSA-N 1 0 202.221 0.276 10 0 BCAERO NC(=[NH2+])c1ccc(CN2CCOCC2)c(F)c1 ZINC000019510579 181193604 /nfs/dbraw/zinc/19/36/04/181193604.db2.gz YVKWLADNUVJFBN-UHFFFAOYSA-N 1 0 237.278 0.942 10 0 BCAERO NC(=[NH2+])c1cccc(OCCN2CCOCC2)c1 ZINC000019840789 181196328 /nfs/dbraw/zinc/19/63/28/181196328.db2.gz JJONKWJVPLBJKT-UHFFFAOYSA-N 1 0 249.314 0.682 10 0 BCAERO COc1c(C[NH2+]C[C@H]2C[C@@H](O)C2)c(C)nn1C ZINC000623750743 355519485 /nfs/dbraw/zinc/51/94/85/355519485.db2.gz SNTCJILTPHZHSB-AOOOYVTPSA-N 1 0 239.319 0.598 10 0 BCAERO N=C(NO)c1nccn1-c1cc[nH+]cc1 ZINC000075848193 181200479 /nfs/dbraw/zinc/20/04/79/181200479.db2.gz GQOKQVHOTKFKAP-UHFFFAOYSA-N 1 0 203.205 0.571 10 0 BCAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)NC1CCCCC1 ZINC000416437092 191745343 /nfs/dbraw/zinc/74/53/43/191745343.db2.gz KXRTZTWJZMFVBR-ONGXEEELSA-N 1 0 241.335 0.199 10 0 BCAERO C[C@@H]1CN(C(=O)NC[C@@H]2CCCO2)C[C@@H]1[NH3+] ZINC000416446083 191746494 /nfs/dbraw/zinc/74/64/94/191746494.db2.gz ODBGYSSZSINSCK-UTLUCORTSA-N 1 0 227.308 0.154 10 0 BCAERO CO[C@H](C[NH2+]C[C@@H]1CC(=O)N(C)C1)C1CC1 ZINC000639319175 355713607 /nfs/dbraw/zinc/71/36/07/355713607.db2.gz CWCDPMHJHMBYOY-GXSJLCMTSA-N 1 0 226.320 0.479 10 0 BCAERO [NH2+]=C1N[C@H]2n3cccc3C(=O)N3CCC[C@]23N1 ZINC000049563602 181207674 /nfs/dbraw/zinc/20/76/74/181207674.db2.gz DBYKPFUBHBFDQT-GXSJLCMTSA-N 1 0 231.259 0.060 10 0 BCAERO Cn1cc(CCC[NH2+]C2CC(CO)C2)cn1 ZINC000639335846 355769799 /nfs/dbraw/zinc/76/97/99/355769799.db2.gz YFYDNWLUZCYWRF-UHFFFAOYSA-N 1 0 223.320 0.713 10 0 BCAERO COc1cc(C[NH2+][C@H]2CCOC[C@H]2O)sn1 ZINC000639354111 355802995 /nfs/dbraw/zinc/80/29/95/355802995.db2.gz DGJMQLLYUMXWPQ-DTWKUNHWSA-N 1 0 244.316 0.391 10 0 BCAERO C[C@H]1CN(c2ccc(Cl)nn2)[NH+]=C1N ZINC000137418503 355860173 /nfs/dbraw/zinc/86/01/73/355860173.db2.gz RJUXKPKURCIETB-YFKPBYRVSA-N 1 0 211.656 0.858 10 0 BCAERO CC[N@@H+]1CCC[C@@H](Nc2ccnc(C#N)n2)C1 ZINC000383962087 355833109 /nfs/dbraw/zinc/83/31/09/355833109.db2.gz JMWZBYIODHEQHU-SNVBAGLBSA-N 1 0 231.303 0.666 10 0 BCAERO NC(=O)CC1CCN([C@@H]2CCC[NH2+]C2)CC1 ZINC000043501354 181220335 /nfs/dbraw/zinc/22/03/35/181220335.db2.gz ILIWKNKWMKLPGY-LLVKDONJSA-N 1 0 225.336 0.326 10 0 BCAERO NC(=O)CC1CC[NH+](Cc2cccnc2N)CC1 ZINC000052731534 181220375 /nfs/dbraw/zinc/22/03/75/181220375.db2.gz FDCWGDPMISXLMY-UHFFFAOYSA-N 1 0 248.330 0.751 10 0 BCAERO NC(=O)CCN1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000051360133 181222177 /nfs/dbraw/zinc/22/21/77/181222177.db2.gz OMDUHKJXQWONHA-VHSXEESVSA-N 1 0 211.309 0.078 10 0 BCAERO NC(=O)CCC[NH2+]C[C@@H](O)c1cccc(F)c1 ZINC000037894511 181222415 /nfs/dbraw/zinc/22/24/15/181222415.db2.gz XGFRKWXHHGCZHO-LLVKDONJSA-N 1 0 240.278 0.714 10 0 BCAERO NC(=O)CNCC(=O)Nc1ccc(Cl)cc1 ZINC000020056879 181235555 /nfs/dbraw/zinc/23/55/55/181235555.db2.gz GQQJGADYHHSHAE-UHFFFAOYSA-N 1 0 241.678 0.353 10 0 BCAERO NC(=O)CNCc1nc2ccccc2s1 ZINC000037977777 181235561 /nfs/dbraw/zinc/23/55/61/181235561.db2.gz KGJVCFJPZRKWFF-UHFFFAOYSA-N 1 0 221.285 0.871 10 0 BCAERO NC(=O)CNCc1ccc(Br)o1 ZINC000022216600 181236171 /nfs/dbraw/zinc/23/61/71/181236171.db2.gz GVANWEMSLYFKAH-UHFFFAOYSA-N 1 0 233.065 0.617 10 0 BCAERO NC(=O)C[NH2+][C@@H]1CCCc2cc(O)ccc21 ZINC000044746486 181236564 /nfs/dbraw/zinc/23/65/64/181236564.db2.gz XTHAGPKCHNZAFD-LLVKDONJSA-N 1 0 220.272 0.845 10 0 BCAERO NC(=O)COc1ccc2c(c1)CCC[C@H]2[NH3+] ZINC000044745050 181239094 /nfs/dbraw/zinc/23/90/94/181239094.db2.gz XIDOZVGGOLEOGX-LLVKDONJSA-N 1 0 220.272 0.887 10 0 BCAERO NC(=O)CC[NH2+]C[C@H](O)c1cc(F)ccc1F ZINC000037891634 181225368 /nfs/dbraw/zinc/22/53/68/181225368.db2.gz LZAAMXOOQYMFDF-JTQLQIEISA-N 1 0 244.241 0.463 10 0 BCAERO NC(=O)C[C@@H]([NH3+])c1ccc2c(c1)OCCO2 ZINC000034963011 181242021 /nfs/dbraw/zinc/24/20/21/181242021.db2.gz YBMZWJFMLTVGNW-MRVPVSSYSA-N 1 0 222.244 0.333 10 0 BCAERO NC(=O)Cn1c(N)[nH+]c2cc(F)c(F)cc21 ZINC000075415280 181248671 /nfs/dbraw/zinc/24/86/71/181248671.db2.gz ADJSKUIUPAPZBR-UHFFFAOYSA-N 1 0 226.186 0.382 10 0 BCAERO NC(=O)NC(=O)C[NH2+]CCc1cccc(F)c1 ZINC000035142939 181254513 /nfs/dbraw/zinc/25/45/13/181254513.db2.gz DXMPFMCIYOWKJS-UHFFFAOYSA-N 1 0 239.250 0.153 10 0 BCAERO NC(=O)NC(=O)C[NH2+][C@@H]1CCc2ccccc2C1 ZINC000048372174 181255749 /nfs/dbraw/zinc/25/57/49/181255749.db2.gz WCUAQQDXRJSJDU-LLVKDONJSA-N 1 0 247.298 0.328 10 0 BCAERO C[C@@H]1C[C@H](NC(=O)[C@@H]2C[NH2+]C[C@H]2C)CO1 ZINC000402107584 356229360 /nfs/dbraw/zinc/22/93/60/356229360.db2.gz XWWAUGCRBLVGGQ-DOLQZWNJSA-N 1 0 212.293 0.136 10 0 BCAERO O[C@@H]1C[NH2+]C[C@@H]1CNc1ncccc1Cl ZINC000420258510 192189476 /nfs/dbraw/zinc/18/94/76/192189476.db2.gz XTJBSZOEUSXVIR-VXNVDRBHSA-N 1 0 227.695 0.727 10 0 BCAERO NC(=O)[C@@H]([NH2+]C1CCCCC1)[C@H]1CCOC1 ZINC000037969688 181265287 /nfs/dbraw/zinc/26/52/87/181265287.db2.gz OBWVCUFYJFDARS-ONGXEEELSA-N 1 0 226.320 0.799 10 0 BCAERO CCCCOC[C@@H](O)C[N@@H+]1CC[C@H](CO)C1 ZINC000193252005 356311460 /nfs/dbraw/zinc/31/14/60/356311460.db2.gz QOEXFDMGZCUSPU-RYUDHWBXSA-N 1 0 231.336 0.478 10 0 BCAERO NC(=O)[C@@H](c1ccccc1F)N1CC[NH2+]CC1 ZINC000037945771 181266826 /nfs/dbraw/zinc/26/68/26/181266826.db2.gz JIBIVQNJYNHYAA-LLVKDONJSA-N 1 0 237.278 0.257 10 0 BCAERO NC(=O)[C@@H]([C@H]1CC=CCC1)N1CC[NH2+]CC1 ZINC000037945763 181266066 /nfs/dbraw/zinc/26/60/66/181266066.db2.gz ZIHMFSPFFZYLAO-WDEREUQCSA-N 1 0 223.320 0.102 10 0 BCAERO NC(=O)[C@@H]1CCCCN1C(=O)C1([NH3+])CCCC1 ZINC000037996535 181266083 /nfs/dbraw/zinc/26/60/83/181266083.db2.gz NMCZSTFEALNGOI-VIFPVBQESA-N 1 0 239.319 0.124 10 0 BCAERO Cc1nccn1CCCN1C[C@H](C)[C@H]([NH3+])C1 ZINC000420378375 192234177 /nfs/dbraw/zinc/23/41/77/192234177.db2.gz QKOZWEIRPUFKBU-CMPLNLGQSA-N 1 0 222.336 0.861 10 0 BCAERO NC(=O)[C@@]1(N2CCC[NH2+]CC2)CCCSC1 ZINC000061590413 181275555 /nfs/dbraw/zinc/27/55/55/181275555.db2.gz FONIPOZHMDMPFJ-LLVKDONJSA-N 1 0 243.376 0.033 10 0 BCAERO NC(=O)[C@@]1(O)CCC[N@@H+]([C@H]2C=CCCC2)C1 ZINC000286314156 181275429 /nfs/dbraw/zinc/27/54/29/181275429.db2.gz VNSXPJUWRPPJJC-CMPLNLGQSA-N 1 0 224.304 0.407 10 0 BCAERO NC(=O)[C@H]([NH3+])COc1cccc(F)c1F ZINC000062653813 181277537 /nfs/dbraw/zinc/27/75/37/181277537.db2.gz LQSOCXFUESZNPR-ZCFIWIBFSA-N 1 0 216.187 0.156 10 0 BCAERO C[C@H](C[NH3+])Nc1ccnc2cccnc21 ZINC000379220996 356433211 /nfs/dbraw/zinc/43/32/11/356433211.db2.gz SWSJLRJAQMOPDJ-MRVPVSSYSA-N 1 0 202.261 0.811 10 0 BCAERO CC(C)[C@H]([NH3+])C(=O)N1CCC(F)(F)C1 ZINC000167719743 356434690 /nfs/dbraw/zinc/43/46/90/356434690.db2.gz OUVWEQDCCOKTRT-ZETCQYMHSA-N 1 0 206.236 0.837 10 0 BCAERO NC(=O)[C@H]([NH3+])c1ccc2c(c1)OCCCO2 ZINC000037870898 181277054 /nfs/dbraw/zinc/27/70/54/181277054.db2.gz LWDSUTUPGAOCTG-SNVBAGLBSA-N 1 0 222.244 0.333 10 0 BCAERO NC(=O)[C@H](O)[C@H]([NH3+])CC1CCCCC1 ZINC000034304249 181278715 /nfs/dbraw/zinc/27/87/15/181278715.db2.gz YUQDGODESZLSPH-RKDXNWHRSA-N 1 0 200.282 0.130 10 0 BCAERO NC(=O)[C@H]1CCCCN1C(=O)C1([NH3+])CCCC1 ZINC000037996536 181279364 /nfs/dbraw/zinc/27/93/64/181279364.db2.gz NMCZSTFEALNGOI-SECBINFHSA-N 1 0 239.319 0.124 10 0 BCAERO NC(=O)[C@H]1CCC[N@@H+](CCCC(N)=S)C1 ZINC000019504022 181280699 /nfs/dbraw/zinc/28/06/99/181280699.db2.gz OCGGIUNRUSYSQW-QMMMGPOBSA-N 1 0 229.349 0.250 10 0 BCAERO NC(=O)[C@H](c1cccc(O)c1)N1CCC[NH2+]CC1 ZINC000037943856 181278133 /nfs/dbraw/zinc/27/81/33/181278133.db2.gz JCEIPSRIPIITHB-LBPRGKRZSA-N 1 0 249.314 0.214 10 0 BCAERO NC(=O)[C@]1(N2CC[NH2+]CC2)CCc2ccccc21 ZINC000037945701 181284558 /nfs/dbraw/zinc/28/45/58/181284558.db2.gz QMEFYICMLMNZOB-AWEZNQCLSA-N 1 0 245.326 0.219 10 0 BCAERO NC(=O)[C@]1([NH2+]C2CCCC2)CCSC1 ZINC000037968700 181285184 /nfs/dbraw/zinc/28/51/84/181285184.db2.gz DFLCLMVBNKDNTP-JTQLQIEISA-N 1 0 214.334 0.880 10 0 BCAERO NC(=O)[C@H]1C[NH2+]C[C@H](c2ccccc2)C1 ZINC000082163215 181283888 /nfs/dbraw/zinc/28/38/88/181283888.db2.gz FLBLONKUAGMTEW-GHMZBOCLSA-N 1 0 204.273 0.865 10 0 BCAERO NC(=O)[C@]1(O)CCC[N@@H+](C2CCCC2)C1 ZINC000309035318 181284393 /nfs/dbraw/zinc/28/43/93/181284393.db2.gz FPJIVDSUBIRGFN-NSHDSACASA-N 1 0 212.293 0.241 10 0 BCAERO Cc1nocc1C(=O)N1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000630092532 363516558 /nfs/dbraw/zinc/51/65/58/363516558.db2.gz QWTBUTJCABBLJB-CBAPKCEASA-N 1 0 223.276 0.650 10 0 BCAERO C[C@@H]1CCC[N@H+](CC[C@@H]([NH3+])C(=O)[O-])[C@@H]1C ZINC000218680167 538466969 /nfs/dbraw/zinc/46/69/69/538466969.db2.gz ZZUVEDJTBZBBFV-OPRDCNLKSA-N 1 0 214.309 0.909 10 0 BCAERO CCCCNC(=O)NC[C@]1(CC)C[NH2+]CCO1 ZINC000675059130 538483784 /nfs/dbraw/zinc/48/37/84/538483784.db2.gz KXQGQUNBVOTGQS-LBPRGKRZSA-N 1 0 243.351 0.854 10 0 BCAERO CC(C)[C@@H](C)C(=O)NC[C@]1(C)C[NH2+]CCO1 ZINC000675058899 538482076 /nfs/dbraw/zinc/48/20/76/538482076.db2.gz BIKZZMUMAOSMQA-PWSUYJOCSA-N 1 0 228.336 0.773 10 0 BCAERO CCC(C)(C)NC(=O)NC[C@@]1(C)C[NH2+]CCO1 ZINC000675058914 538482088 /nfs/dbraw/zinc/48/20/88/538482088.db2.gz BPEUTPHJMWXAMS-GFCCVEGCSA-N 1 0 243.351 0.853 10 0 BCAERO O=S1(=O)CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000675059618 538484339 /nfs/dbraw/zinc/48/43/39/538484339.db2.gz KMMTZDYTJNTGJS-NXEZZACHSA-N 1 0 217.334 0.811 10 0 BCAERO COCC[NH2+]CC[C@H](N)C(F)(F)F ZINC000675051258 538473923 /nfs/dbraw/zinc/47/39/23/538473923.db2.gz ODLRAVBXTPCFPS-LURJTMIESA-N 1 0 200.204 0.502 10 0 BCAERO NS(=O)(=O)CC[C@@H]([NH3+])C1CCCC1 ZINC000675051143 538474016 /nfs/dbraw/zinc/47/40/16/538474016.db2.gz MSGOLWRDGWPYAE-MRVPVSSYSA-N 1 0 206.311 0.183 10 0 BCAERO CCC[C@@H](C)C(=O)NC[C@@]1(C)C[NH2+]CCO1 ZINC000675059274 538483615 /nfs/dbraw/zinc/48/36/15/538483615.db2.gz MMEGTACBVGHBHV-ZYHUDNBSSA-N 1 0 228.336 0.917 10 0 BCAERO CCC[C@@]1(CNC(=O)C2CC2)C[NH2+]CCO1 ZINC000675059549 538483912 /nfs/dbraw/zinc/48/39/12/538483912.db2.gz SCQPLIUJCMBXAK-LBPRGKRZSA-N 1 0 226.320 0.671 10 0 BCAERO CCC[C@@]1(C[NH3+])CN(C(=O)C(C)C)CCO1 ZINC000675059903 538484772 /nfs/dbraw/zinc/48/47/72/538484772.db2.gz XPBKPGOYBSGXAB-GFCCVEGCSA-N 1 0 228.336 0.999 10 0 BCAERO CC(C)[C@@H](C)NC(=O)NC[C@]1(C)C[NH2+]CCO1 ZINC000675059724 538484907 /nfs/dbraw/zinc/48/49/07/538484907.db2.gz VRNCWERPMSKZQX-PWSUYJOCSA-N 1 0 243.351 0.709 10 0 BCAERO CC(C)[C@@H](C)C(=O)N1CCO[C@@](C)(C[NH3+])C1 ZINC000675060006 538484954 /nfs/dbraw/zinc/48/49/54/538484954.db2.gz ZLIWJVHWJBYDOU-PWSUYJOCSA-N 1 0 228.336 0.855 10 0 BCAERO CC(C)CNC(=O)NC[C@]1(C)C[NH2+]CCO1 ZINC000675060050 538485071 /nfs/dbraw/zinc/48/50/71/538485071.db2.gz ZUBJLRIFWNJTLO-NSHDSACASA-N 1 0 229.324 0.320 10 0 BCAERO CC[C@@]1(C[NH3+])CN(C(=O)C(C)C)CCO1 ZINC000675060013 538485337 /nfs/dbraw/zinc/48/53/37/538485337.db2.gz ZMWLDCGCSHFGTJ-LLVKDONJSA-N 1 0 214.309 0.609 10 0 BCAERO CCC[C@@]1(CNC(=O)C(C)C)C[NH2+]CCO1 ZINC000675059705 538485422 /nfs/dbraw/zinc/48/54/22/538485422.db2.gz UVKSPONYIGATBD-LBPRGKRZSA-N 1 0 228.336 0.917 10 0 BCAERO CC[C@]1(C[NH3+])CN(C(=O)C(C)C)CCO1 ZINC000675060017 538485462 /nfs/dbraw/zinc/48/54/62/538485462.db2.gz ZMWLDCGCSHFGTJ-NSHDSACASA-N 1 0 214.309 0.609 10 0 BCAERO O=C([O-])[C@@H]1C[NH2+]C[C@H](C2CC[NH2+]CC2)C1 ZINC000675060211 538485871 /nfs/dbraw/zinc/48/58/71/538485871.db2.gz UJVICASXCJCHGM-ZJUUUORDSA-N 1 0 212.293 0.296 10 0 BCAERO CCN1C(=O)CC[C@H](C[NH3+])[C@@H]1c1cnn(C)c1 ZINC000675060162 538486006 /nfs/dbraw/zinc/48/60/06/538486006.db2.gz SPSJEKJDZBPWEY-BXKDBHETSA-N 1 0 236.319 0.678 10 0 BCAERO C[C@@H]1C[NH2+]C[C@@H]([C@H]2CCS(=O)(=O)C2)C1 ZINC000675060297 538486363 /nfs/dbraw/zinc/48/63/63/538486363.db2.gz VRYGOMOCLMOLKO-GUBZILKMSA-N 1 0 217.334 0.667 10 0 BCAERO CCNC(=O)NC[C@@H]1C[C@@H]2C[C@@H]([NH3+])[C@H]2C1 ZINC000675068702 538496752 /nfs/dbraw/zinc/49/67/52/538496752.db2.gz DJPCPHJMZRLEHM-DOLQZWNJSA-N 1 0 211.309 0.679 10 0 BCAERO O=C(CC1CC1)N(C1C[NH2+]C1)[C@H]1CCOC1 ZINC000675070270 538500097 /nfs/dbraw/zinc/50/00/97/538500097.db2.gz NMOZSZSWKFIRBK-JTQLQIEISA-N 1 0 224.304 0.376 10 0 BCAERO CCCCS(=O)(=O)NC[C@]12C[C@H]1CCC[NH2+]2 ZINC000675070579 538501176 /nfs/dbraw/zinc/50/11/76/538501176.db2.gz PRHKPXLUKPZGLO-GHMZBOCLSA-N 1 0 246.376 0.848 10 0 BCAERO CCCS(=O)(=O)NC[C@@H]1C[C@@H]2C[C@@H]([NH3+])[C@H]2C1 ZINC000675072552 538503648 /nfs/dbraw/zinc/50/36/48/538503648.db2.gz FFQIHCSGERBBPQ-CHWFTXMASA-N 1 0 246.376 0.689 10 0 BCAERO CC[C@H](C)[NH2+]C[C@@](O)(C(=O)OC)C(F)(F)F ZINC000675072829 538503960 /nfs/dbraw/zinc/50/39/60/538503960.db2.gz IHYDWKXTRNYIFJ-POYBYMJQSA-N 1 0 243.225 0.841 10 0 BCAERO COC(=O)[C@@](O)(C[NH2+]C1CC1)C(F)(F)F ZINC000675074137 538506819 /nfs/dbraw/zinc/50/68/19/538506819.db2.gz YIEJAPMXSSIIQV-ZETCQYMHSA-N 1 0 227.182 0.205 10 0 BCAERO CCC[NH2+]Cc1cnn(CC)c1S(N)(=O)=O ZINC000675075789 538509489 /nfs/dbraw/zinc/50/94/89/538509489.db2.gz QWFWYVJRDYXFEH-UHFFFAOYSA-N 1 0 246.336 0.050 10 0 BCAERO CCS(=O)(=O)N[C@@H]1C[C@@H]2C[C@H](C[NH3+])C[C@H]12 ZINC000675069402 538498304 /nfs/dbraw/zinc/49/83/04/538498304.db2.gz HKKBDMGVICQQKY-AATLWQCWSA-N 1 0 232.349 0.299 10 0 BCAERO COc1cncc(C2=C[C@H](O)C[NH2+]C2)c1 ZINC000675077661 538513568 /nfs/dbraw/zinc/51/35/68/538513568.db2.gz PSVSWKUZHJORAO-JTQLQIEISA-N 1 0 206.245 0.438 10 0 BCAERO N[C@H]1C=C(CCc2ccns2)C[NH2+]C1 ZINC000675077654 538513984 /nfs/dbraw/zinc/51/39/84/538513984.db2.gz GXFCZAHAPUIABB-VIFPVBQESA-N 1 0 209.318 0.933 10 0 BCAERO Nc1ncc(Cl)cc1C1=C[C@H]([NH3+])CNC1 ZINC000675078009 538515005 /nfs/dbraw/zinc/51/50/05/538515005.db2.gz LWHXUKNKXCPESR-QMMMGPOBSA-N 1 0 224.695 0.631 10 0 BCAERO Nc1cc(CC2=C[C@H](O)C[NH2+]C2)ccn1 ZINC000675078327 538515051 /nfs/dbraw/zinc/51/50/51/538515051.db2.gz XNRYTYILILTYKL-JTQLQIEISA-N 1 0 205.261 0.097 10 0 BCAERO Cn1c(Cl)cnc1CC1=C[C@H](O)C[NH2+]C1 ZINC000675078137 538515549 /nfs/dbraw/zinc/51/55/49/538515549.db2.gz WEOFVNJQTZAKCW-QMMMGPOBSA-N 1 0 227.695 0.507 10 0 BCAERO Cc1c(CC2=C[C@@H](N)C[NH2+]C2)cnn1C ZINC000675078768 538516322 /nfs/dbraw/zinc/51/63/22/538516322.db2.gz SHUMYYCVUOGCBE-LLVKDONJSA-N 1 0 206.293 0.128 10 0 BCAERO CCCn1ncnc1C1=C[C@H](O)C[NH2+]C1 ZINC000675078517 538516757 /nfs/dbraw/zinc/51/67/57/538516757.db2.gz YUQDERMRHKCYLZ-VIFPVBQESA-N 1 0 208.265 0.036 10 0 BCAERO COC[C@H]([NH3+])c1cnnn1CCCF ZINC000675080857 538520105 /nfs/dbraw/zinc/52/01/05/538520105.db2.gz WRBJQHPRJSNDOY-ZETCQYMHSA-N 1 0 202.233 0.284 10 0 BCAERO [NH3+]Cc1cccc(C2(C(=O)[O-])CC[NH2+]CC2)c1 ZINC000675080909 538521135 /nfs/dbraw/zinc/52/11/35/538521135.db2.gz XZEYSCAOAQYFGK-UHFFFAOYSA-N 1 0 234.299 0.851 10 0 BCAERO CCCn1cc(C2=C[C@@H](O)C[NH2+]C2)cn1 ZINC000675077060 538512457 /nfs/dbraw/zinc/51/24/57/538512457.db2.gz JBRHQWOKJJXXHU-LLVKDONJSA-N 1 0 207.277 0.641 10 0 BCAERO CCCn1cc(C2=C[C@H]([NH3+])CNC2)cn1 ZINC000675077362 538512816 /nfs/dbraw/zinc/51/28/16/538512816.db2.gz CZCYGMHJJGMRCW-NSHDSACASA-N 1 0 206.293 0.607 10 0 BCAERO Oc1ccc(CC2=C[C@@H](O)C[NH2+]C2)cc1 ZINC000675076904 538512836 /nfs/dbraw/zinc/51/28/36/538512836.db2.gz GWFCOPNMCHDNOD-GFCCVEGCSA-N 1 0 205.257 0.825 10 0 BCAERO CCCS(=O)(=O)NCC1CC([NH3+])C1 ZINC000084447535 538532465 /nfs/dbraw/zinc/53/24/65/538532465.db2.gz UGMMECHLDMPVJY-UHFFFAOYSA-N 1 0 206.311 0.053 10 0 BCAERO Cc1ccn([C@@H]2CC[C@]([NH3+])(C(N)=O)C2)n1 ZINC000086627190 538558732 /nfs/dbraw/zinc/55/87/32/538558732.db2.gz WSLYUEJQAPEBOX-PSASIEDQSA-N 1 0 208.265 0.099 10 0 BCAERO O=C(C1CCC1)N1CC2(C1)CCC[NH2+]C2 ZINC000220349445 538542239 /nfs/dbraw/zinc/54/22/39/538542239.db2.gz IIIDRMZPVHJUCR-UHFFFAOYSA-N 1 0 208.305 0.999 10 0 BCAERO CCc1cnn(CC[C@H]([NH3+])C(=O)OC)c1 ZINC000401997117 538543066 /nfs/dbraw/zinc/54/30/66/538543066.db2.gz BRMBYSIKNLOQGI-VIFPVBQESA-N 1 0 211.265 0.336 10 0 BCAERO CC(C)(C)OC(=O)NCC1[C@H]2C[NH2+]C[C@@H]12 ZINC000034724724 356703203 /nfs/dbraw/zinc/70/32/03/356703203.db2.gz JXWGBEYMMHSBFU-JVHMLUBASA-N 1 0 212.293 0.977 10 0 BCAERO C[NH2+][C@]1(C(N)=O)CC[C@@H](n2ccnc2)C1 ZINC000086626557 538557602 /nfs/dbraw/zinc/55/76/02/538557602.db2.gz JTIRLNZGVYIUCN-PSASIEDQSA-N 1 0 208.265 0.052 10 0 BCAERO CC(C)NS(=O)(=O)c1ccc(C[NH3+])cn1 ZINC000084174046 538528546 /nfs/dbraw/zinc/52/85/46/538528546.db2.gz AQFXWIFGJQJHHK-UHFFFAOYSA-N 1 0 229.305 0.227 10 0 BCAERO CC1(C)CN([C@@H]2C[NH2+]C[C@H]2O)CC(C)(C)O1 ZINC000226426684 538608504 /nfs/dbraw/zinc/60/85/04/538608504.db2.gz WEJYTAQDGHYJPX-NXEZZACHSA-N 1 0 228.336 0.209 10 0 BCAERO CCS(=O)(=O)NC[C@@H]1CC[NH2+]C[C@@H]1C ZINC000129824215 538576962 /nfs/dbraw/zinc/57/69/62/538576962.db2.gz WWWIMULCASATRT-IUCAKERBSA-N 1 0 220.338 0.171 10 0 BCAERO COC(=O)C(=O)[C@H](C)[C@H]1C[C@@H](C)CC[NH2+]1 ZINC000130373496 538589966 /nfs/dbraw/zinc/58/99/66/538589966.db2.gz GFTWALNKEDJKHP-DJLDLDEBSA-N 1 0 213.277 0.753 10 0 BCAERO COC(=O)C(=O)[C@H](C)[C@H]1C[C@H](C)CC[NH2+]1 ZINC000130373313 538590936 /nfs/dbraw/zinc/59/09/36/538590936.db2.gz GFTWALNKEDJKHP-IWSPIJDZSA-N 1 0 213.277 0.753 10 0 BCAERO CC(C)[C@@H](C)C(=O)N1CC(N2CC[NH2+]CC2)C1 ZINC000090308621 538591971 /nfs/dbraw/zinc/59/19/71/538591971.db2.gz YSEYSHGADHTDRH-LLVKDONJSA-N 1 0 239.363 0.395 10 0 BCAERO Cc1ncccc1C[NH2+][C@@H]1CCCN(CCO)C1 ZINC000384666238 356712099 /nfs/dbraw/zinc/71/20/99/356712099.db2.gz CFIVSNYUPYNBKT-CQSZACIVSA-N 1 0 249.358 0.936 10 0 BCAERO Cc1ncccc1C[NH2+][C@H]1CCCN(CCO)C1 ZINC000384666231 356712377 /nfs/dbraw/zinc/71/23/77/356712377.db2.gz CFIVSNYUPYNBKT-AWEZNQCLSA-N 1 0 249.358 0.936 10 0 BCAERO O=C(c1ccccn1)N1CC[C@H]2OCC[NH2+][C@@H]2C1 ZINC000403973116 356793105 /nfs/dbraw/zinc/79/31/05/356793105.db2.gz CGILMCBJZTYNHV-VXGBXAGGSA-N 1 0 247.298 0.285 10 0 BCAERO [NH3+][C@H]1CC[C@@H](CNS(=O)(=O)C2CC2)C1 ZINC000227630123 538699483 /nfs/dbraw/zinc/69/94/83/538699483.db2.gz UVLZEKYPBNVHDG-SFYZADRCSA-N 1 0 218.322 0.196 10 0 BCAERO CN1CC[N@H+](C[C@@H]2CCC[C@@H](O)C2)[C@H](CO)C1 ZINC000639865865 356975163 /nfs/dbraw/zinc/97/51/63/356975163.db2.gz ATVDQRCJEAEAMB-FRRDWIJNSA-N 1 0 242.363 0.146 10 0 BCAERO CN1CC[N@H+](C[C@@H]2Cc3ccccc32)[C@@H](CO)C1 ZINC000639866788 356985631 /nfs/dbraw/zinc/98/56/31/356985631.db2.gz IJDUUYLRPDYIIG-UONOGXRCSA-N 1 0 246.354 0.935 10 0 BCAERO CNC(=[NH2+])NC[C@H]1CSCCS1 ZINC000129856839 356994782 /nfs/dbraw/zinc/99/47/82/356994782.db2.gz IKGDNMRZXJVNLC-LURJTMIESA-N 1 0 205.352 0.579 10 0 BCAERO C[C@@H]1CC[NH2+]C[C@H]1Nc1ccnc(C(N)=O)c1 ZINC000389710108 357018006 /nfs/dbraw/zinc/01/80/06/357018006.db2.gz SVXGOQLEUPVSAD-LDYMZIIASA-N 1 0 234.303 0.012 10 0 BCAERO C[C@H]1CC[NH2+]C[C@@H]1Nc1ccnc(C(N)=O)c1 ZINC000389710107 357018075 /nfs/dbraw/zinc/01/80/75/357018075.db2.gz SVXGOQLEUPVSAD-KWQFWETISA-N 1 0 234.303 0.012 10 0 BCAERO COC[C@H](C)C[NH2+][C@@H]1CCC(=O)N[C@@H]1C ZINC000389942416 357070502 /nfs/dbraw/zinc/07/05/02/357070502.db2.gz PEHJRDSDYBPLJP-OPRDCNLKSA-N 1 0 214.309 0.526 10 0 BCAERO CCC[NH2+][C@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000389987752 357078261 /nfs/dbraw/zinc/07/82/61/357078261.db2.gz MXYGOKFTFGSXEL-UWVGGRQHSA-N 1 0 234.365 0.846 10 0 BCAERO CC[C@H](C(N)=S)[N@@H+]1CC[C@](C)(O)C1 ZINC000300027290 357172414 /nfs/dbraw/zinc/17/24/14/357172414.db2.gz BMMZIAKBYQKTPC-APPZFPTMSA-N 1 0 202.323 0.508 10 0 BCAERO C[C@H]1CSCCN1C(=O)C1(C[NH3+])CC1 ZINC000168729241 357199198 /nfs/dbraw/zinc/19/91/98/357199198.db2.gz OZCKBTCQIPSLHQ-QMMMGPOBSA-N 1 0 214.334 0.689 10 0 BCAERO C[C@@H]1CSCCN1C(=O)C1(C[NH3+])CC1 ZINC000168729201 357199269 /nfs/dbraw/zinc/19/92/69/357199269.db2.gz OZCKBTCQIPSLHQ-MRVPVSSYSA-N 1 0 214.334 0.689 10 0 BCAERO CC(C)[C@@H]([NH3+])[C@H]1CCCCS1(=O)=O ZINC000168734869 357202409 /nfs/dbraw/zinc/20/24/09/357202409.db2.gz VSYYTPWFETUYOM-RKDXNWHRSA-N 1 0 205.323 0.937 10 0 BCAERO CC(C)[C@](C)(C[NH3+])N1CCCS1(=O)=O ZINC000168768612 357226014 /nfs/dbraw/zinc/22/60/14/357226014.db2.gz JIUSSGSZCLUBRJ-VIFPVBQESA-N 1 0 220.338 0.395 10 0 BCAERO CC(C)[C@@](C)(C[NH3+])N1CCCS1(=O)=O ZINC000168768528 357226040 /nfs/dbraw/zinc/22/60/40/357226040.db2.gz JIUSSGSZCLUBRJ-SECBINFHSA-N 1 0 220.338 0.395 10 0 BCAERO C[C@H]1CN(c2cncc(Cl)n2)C[C@H]1[NH3+] ZINC000300048552 357176499 /nfs/dbraw/zinc/17/64/99/357176499.db2.gz LCRGGZKHNYQQEK-NKWVEPMBSA-N 1 0 212.684 0.913 10 0 BCAERO CC(C)S(=O)(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000300048105 357176663 /nfs/dbraw/zinc/17/66/63/357176663.db2.gz HHVSNUNBTZIQHJ-HTQZYQBOSA-N 1 0 206.311 0.004 10 0 BCAERO C[N@@H+]1CCSC[C@H]1[C@H](O)C1=CCCO1 ZINC000300053989 357180808 /nfs/dbraw/zinc/18/08/08/357180808.db2.gz UPVYAGSRSPEBTN-WPRPVWTQSA-N 1 0 215.318 0.699 10 0 BCAERO CS(=O)(=O)C1(C[NH2+][C@@H]2CCCC[C@H]2O)CC1 ZINC000393691419 357293465 /nfs/dbraw/zinc/29/34/65/357293465.db2.gz SFWPWOVDWDBRMD-NXEZZACHSA-N 1 0 247.360 0.457 10 0 BCAERO CO[C@H]1C[NH2+][C@@H](C(=O)C2CCOCC2)C1 ZINC000168700809 357258560 /nfs/dbraw/zinc/25/85/60/357258560.db2.gz ONHFEWHWVUYQFA-NXEZZACHSA-N 1 0 213.277 0.359 10 0 BCAERO COc1cc(OC)nc(N[C@H]2CC[NH2+]C2)n1 ZINC000168448396 134197976 /nfs/dbraw/zinc/19/79/76/134197976.db2.gz TZSBXBNRGXVZMY-ZETCQYMHSA-N 1 0 224.264 0.268 10 0 BCAERO CC(C)n1nnnc1CN(C)[C@@H]1CC[NH2+]C1 ZINC000582606857 357349310 /nfs/dbraw/zinc/34/93/10/357349310.db2.gz ZCVNAGBCGLYVTR-SECBINFHSA-N 1 0 224.312 0.048 10 0 BCAERO NC(=O)c1cc(N[C@@H]2CCC[NH2+]C2)ccn1 ZINC000070950485 181291252 /nfs/dbraw/zinc/29/12/52/181291252.db2.gz AJXSNXPZNIXPTQ-SECBINFHSA-N 1 0 220.276 0.344 10 0 BCAERO COc1nccc(C[NH2+]CC2CC(O)C2)n1 ZINC000395116875 357412989 /nfs/dbraw/zinc/41/29/89/357412989.db2.gz DVRIACWBAHIYHN-UHFFFAOYSA-N 1 0 223.276 0.346 10 0 BCAERO C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@@H]2CCCO)C1 ZINC000395297554 357422567 /nfs/dbraw/zinc/42/25/67/357422567.db2.gz INBPFOJSAIIDFS-VXGBXAGGSA-N 1 0 240.347 0.702 10 0 BCAERO CC(C)n1nnnc1CN1CCC[NH2+]CC1 ZINC000582964828 357443201 /nfs/dbraw/zinc/44/32/01/357443201.db2.gz OXWUENBNZRCSFR-UHFFFAOYSA-N 1 0 224.312 0.049 10 0 BCAERO O=C1NCC[C@@H]1CC[N@H+]1CC[C@H](CCO)C1 ZINC000395808495 357456802 /nfs/dbraw/zinc/45/68/02/357456802.db2.gz DGGXBBLWBJKCIK-GHMZBOCLSA-N 1 0 226.320 0.217 10 0 BCAERO O=C1NCC[C@H]1CC[N@H+]1CCC[C@H]1CCCO ZINC000396076859 357470666 /nfs/dbraw/zinc/47/06/66/357470666.db2.gz JDKQYQKICGXSPN-RYUDHWBXSA-N 1 0 240.347 0.750 10 0 BCAERO [NH3+]C1CCN(CCNC(=O)CC2CC2)CC1 ZINC000321269833 538868298 /nfs/dbraw/zinc/86/82/98/538868298.db2.gz FXQBKDQGJHNHDF-UHFFFAOYSA-N 1 0 225.336 0.326 10 0 BCAERO CC(C)C(=O)NCCN1CCC([NH3+])CC1 ZINC000321446939 538870862 /nfs/dbraw/zinc/87/08/62/538870862.db2.gz ZIHXIGNEKNMTJO-UHFFFAOYSA-N 1 0 213.325 0.182 10 0 BCAERO CN1CCO[C@@H](C[NH2+]Cc2ccc(F)nc2)C1 ZINC000189060353 357602180 /nfs/dbraw/zinc/60/21/80/357602180.db2.gz BIOVAGZGXHZRBM-NSHDSACASA-N 1 0 239.294 0.641 10 0 BCAERO CCCNC(=O)N1CC[C@@H]([NH3+])[C@@H](F)C1 ZINC000685946570 538885915 /nfs/dbraw/zinc/88/59/15/538885915.db2.gz TWGPMDOSHTUDNM-JGVFFNPUSA-N 1 0 203.261 0.477 10 0 BCAERO CC(C)CNC(=O)N1CC[C@H]([NH3+])[C@H](F)C1 ZINC000685945795 538886950 /nfs/dbraw/zinc/88/69/50/538886950.db2.gz BEPCDEKUKAXUNB-BDAKNGLRSA-N 1 0 217.288 0.723 10 0 BCAERO O=C(CC1CC1)N[C@@H]1CC[NH2+]C[C@H]1F ZINC000685945836 538886975 /nfs/dbraw/zinc/88/69/75/538886975.db2.gz CCGOLWKCVHXYLB-RKDXNWHRSA-N 1 0 200.257 0.603 10 0 BCAERO CN(C)[S@@](C)(=O)=NCC1CC[NH2+]CC1 ZINC000685945777 538887205 /nfs/dbraw/zinc/88/72/05/538887205.db2.gz YXQQYZIKJCFEHN-AWEZNQCLSA-N 1 0 219.354 0.560 10 0 BCAERO CC(C)NC(=O)N[C@@H]1CC[NH2+]C[C@H]1F ZINC000685945902 538887599 /nfs/dbraw/zinc/88/75/99/538887599.db2.gz FPMKFQUPEKTHAC-HTQZYQBOSA-N 1 0 203.261 0.394 10 0 BCAERO CC[C@]1([NH3+])CCCN(S(=O)(=O)C(C)C)C1 ZINC000685946903 538888138 /nfs/dbraw/zinc/88/81/38/538888138.db2.gz GIEXAOLPAZAIBS-JTQLQIEISA-N 1 0 234.365 0.928 10 0 BCAERO CC[C@]1([NH3+])CCCN(S(C)(=O)=O)C1 ZINC000685947052 538888651 /nfs/dbraw/zinc/88/86/51/538888651.db2.gz IBCYLXQAAHGOGN-QMMMGPOBSA-N 1 0 206.311 0.149 10 0 BCAERO CC[C@@]1([NH3+])CCCN(S(=O)(=O)CC)C1 ZINC000685946957 538888910 /nfs/dbraw/zinc/88/89/10/538888910.db2.gz HKPCRJFQGULJIV-SECBINFHSA-N 1 0 220.338 0.539 10 0 BCAERO CC1([NH3+])CCC(NS(C)(=O)=O)CC1 ZINC000685947243 538888995 /nfs/dbraw/zinc/88/89/95/538888995.db2.gz IBVDFCXMNVMEIZ-UHFFFAOYSA-N 1 0 206.311 0.196 10 0 BCAERO CCCNC(=O)N1CC[C@H]2CC[C@]21C[NH3+] ZINC000685947268 538889002 /nfs/dbraw/zinc/88/90/02/538889002.db2.gz SZIXCKWOUOLPLX-KOLCDFICSA-N 1 0 211.309 0.919 10 0 BCAERO CCS(=O)(=O)NC[C@]12CC[C@H]1CC[NH2+]2 ZINC000685947466 538889183 /nfs/dbraw/zinc/88/91/83/538889183.db2.gz WCWHYUZATDWEBD-DTWKUNHWSA-N 1 0 218.322 0.068 10 0 BCAERO CC(C)(C)OC(=O)N1CCC(=O)[C@H]2C[NH2+]C[C@@H]21 ZINC000685947427 538889312 /nfs/dbraw/zinc/88/93/12/538889312.db2.gz KHDBDPWSABLFMH-IUCAKERBSA-N 1 0 240.303 0.784 10 0 BCAERO CC1(NS(C)(=O)=O)CCC([NH3+])CC1 ZINC000685947894 538889666 /nfs/dbraw/zinc/88/96/66/538889666.db2.gz RQARHKUNYMDZMX-UHFFFAOYSA-N 1 0 206.311 0.196 10 0 BCAERO CS(=O)(=O)N[C@H]1CCCC12CC[NH2+]CC2 ZINC000685947701 538889714 /nfs/dbraw/zinc/88/97/14/538889714.db2.gz QKLNNDLRZCYRKM-VIFPVBQESA-N 1 0 232.349 0.458 10 0 BCAERO OCCN1CC[NH+]([C@@H]2CC[C@@H]3CC[C@@H]32)CC1 ZINC000685948570 538891058 /nfs/dbraw/zinc/89/10/58/538891058.db2.gz QKHBKUOWEQONDO-RWMBFGLXSA-N 1 0 224.348 0.785 10 0 BCAERO O=C1C[C@]2(CCC[NH2+]C2)n2ccnc2N1 ZINC000685949105 538891480 /nfs/dbraw/zinc/89/14/80/538891480.db2.gz IEQWXCPGVWIBIJ-JTQLQIEISA-N 1 0 206.249 0.304 10 0 BCAERO CS(=O)(=O)N1CC[C@@]2([NH3+])CCCC[C@H]12 ZINC000685949004 538891626 /nfs/dbraw/zinc/89/16/26/538891626.db2.gz HOYUOUMWULQDBT-IUCAKERBSA-N 1 0 218.322 0.292 10 0 BCAERO CS(=O)(=O)N1CC[C@@]2([NH3+])CCCC[C@@H]12 ZINC000685949002 538891726 /nfs/dbraw/zinc/89/17/26/538891726.db2.gz HOYUOUMWULQDBT-BDAKNGLRSA-N 1 0 218.322 0.292 10 0 BCAERO CS(=O)(=O)N1CC[C@]2([NH3+])CCCC[C@@H]12 ZINC000685949005 538891991 /nfs/dbraw/zinc/89/19/91/538891991.db2.gz HOYUOUMWULQDBT-RKDXNWHRSA-N 1 0 218.322 0.292 10 0 BCAERO COCCC(=O)N1CC[C@]2([NH3+])CCCC[C@H]12 ZINC000685949392 538892359 /nfs/dbraw/zinc/89/23/59/538892359.db2.gz RDLWVFXMGMRQCW-CMPLNLGQSA-N 1 0 226.320 0.895 10 0 BCAERO CC(=O)NC1CCC2(CC1)C[NH2+]CCO2 ZINC000685949143 538892587 /nfs/dbraw/zinc/89/25/87/538892587.db2.gz LIWMBXAACIQBMQ-UHFFFAOYSA-N 1 0 212.293 0.424 10 0 BCAERO [NH3+][C@@]12CCN(S(=O)(=O)C3CC3)[C@H]1CCCC2 ZINC000685949762 538892945 /nfs/dbraw/zinc/89/29/45/538892945.db2.gz XBZJBGDETQPGQS-QWRGUYRKSA-N 1 0 244.360 0.824 10 0 BCAERO [NH3+][C@]12CCN(S(=O)(=O)C3CC3)[C@@H]1CCCC2 ZINC000685949756 538892990 /nfs/dbraw/zinc/89/29/90/538892990.db2.gz XBZJBGDETQPGQS-GHMZBOCLSA-N 1 0 244.360 0.824 10 0 BCAERO CC(C)[C@@H](C)NC(=O)NC[C@@]1(O)CC[NH2+]C1 ZINC000685950706 538893964 /nfs/dbraw/zinc/89/39/64/538893964.db2.gz WFGCYWGEMRXXMH-MWLCHTKSSA-N 1 0 229.324 0.055 10 0 BCAERO CC(C)[C@H](C)NC(=O)N1CC[C@@](O)(C[NH3+])C1 ZINC000685950426 538894026 /nfs/dbraw/zinc/89/40/26/538894026.db2.gz POKFAHDKKUFLMQ-GXSJLCMTSA-N 1 0 229.324 0.136 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H](C)[C@H]1N1CCOC[C@@H]1C ZINC000685951433 538895310 /nfs/dbraw/zinc/89/53/10/538895310.db2.gz UHFROZQLOFAVNB-WHOHXGKFSA-N 1 0 212.337 0.951 10 0 BCAERO CCN1CCC[N@H+](C[C@@](C)(O)CC)CC1=O ZINC000190170726 357691379 /nfs/dbraw/zinc/69/13/79/357691379.db2.gz KXGGFBYDHDINGA-LBPRGKRZSA-N 1 0 228.336 0.702 10 0 BCAERO C[C@@H]1OCCC[C@@H]1C(=O)NCC[NH+](C)C ZINC000190330953 357701343 /nfs/dbraw/zinc/70/13/43/357701343.db2.gz ICLGGZDUKLFXIO-UWVGGRQHSA-N 1 0 214.309 0.479 10 0 BCAERO NC(=O)c1cc2c(nc1-n1ccnc1)CCC2 ZINC000104290753 181292530 /nfs/dbraw/zinc/29/25/30/181292530.db2.gz QKUCUGYZUCUOSN-UHFFFAOYSA-N 1 0 228.255 0.855 10 0 BCAERO CC(C)N(C)C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000190744944 357729985 /nfs/dbraw/zinc/72/99/85/357729985.db2.gz ZVSGWJYLXKUKLT-NSHDSACASA-N 1 0 243.351 0.709 10 0 BCAERO CC[NH+](CC)CCCN1C[C@H](O)C[C@@H]1CO ZINC000191818011 357799323 /nfs/dbraw/zinc/79/93/23/357799323.db2.gz NMVZETIWNXDTLA-VXGBXAGGSA-N 1 0 230.352 0.146 10 0 BCAERO Cc1cc(N[C@@H]2CCS(=O)(=O)C2)cc[nH+]1 ZINC000086113919 357853452 /nfs/dbraw/zinc/85/34/52/357853452.db2.gz ZDSTZWGUCVBKOG-SNVBAGLBSA-N 1 0 226.301 0.989 10 0 BCAERO C[C@@H](O)CCNC(=O)[C@@H]1[NH2+]CCCC1(C)C ZINC000235241890 357858515 /nfs/dbraw/zinc/85/85/15/357858515.db2.gz UOCCKJTWIFWURU-ZJUUUORDSA-N 1 0 228.336 0.652 10 0 BCAERO Cc1cncc(C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)c1 ZINC000235380230 357859073 /nfs/dbraw/zinc/85/90/73/357859073.db2.gz IAIIDUGPXVLQSW-MWLCHTKSSA-N 1 0 219.288 0.809 10 0 BCAERO C(C1CCC1)[N@@H+]1CC[C@@H]2OCCN[C@H]2C1 ZINC000404073875 357868771 /nfs/dbraw/zinc/86/87/71/357868771.db2.gz MUJMWJBJSSTIQS-RYUDHWBXSA-N 1 0 210.321 0.849 10 0 BCAERO CC1(C)CN(c2ccncc2C(N)=O)CC[NH2+]1 ZINC000398992768 357892480 /nfs/dbraw/zinc/89/24/80/357892480.db2.gz MLXYABPNFBURKB-UHFFFAOYSA-N 1 0 234.303 0.369 10 0 BCAERO C[C@H](O)C[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000192975037 357863344 /nfs/dbraw/zinc/86/33/44/357863344.db2.gz HDVZCMDMQWCXAV-VIFPVBQESA-N 1 0 209.293 0.970 10 0 BCAERO C[C@H]1CN(C(=O)c2cccc(C(N)=O)c2)C[C@@H]1[NH3+] ZINC000235657300 357927408 /nfs/dbraw/zinc/92/74/08/357927408.db2.gz AZZQHGGHJSWIST-KWQFWETISA-N 1 0 247.298 0.205 10 0 BCAERO CC(=O)NCCC[NH+]1[C@H](C)COC[C@H]1C ZINC000133184293 325275722 /nfs/dbraw/zinc/27/57/22/325275722.db2.gz PCKOQZXZLYKFIS-NXEZZACHSA-N 1 0 214.309 0.622 10 0 BCAERO C[C@@H]1CN(C(=O)c2ccc(N(C)C)nc2)C[C@H]1[NH3+] ZINC000583756196 357935725 /nfs/dbraw/zinc/93/57/25/357935725.db2.gz SPIMWBUZWHJUAT-MWLCHTKSSA-N 1 0 248.330 0.567 10 0 BCAERO C[C@@H]1C[C@H](O)CC[N@@H+]1CCn1ccccc1=O ZINC000639939274 357946549 /nfs/dbraw/zinc/94/65/49/357946549.db2.gz CBPVJWOWRYOXNH-VXGBXAGGSA-N 1 0 236.315 0.694 10 0 BCAERO C[C@@H]1C[C@H](O)CC[N@@H+]1CCn1ccnc1 ZINC000639939622 357952309 /nfs/dbraw/zinc/95/23/09/357952309.db2.gz IKFQHEKIVCOPRR-GHMZBOCLSA-N 1 0 209.293 0.728 10 0 BCAERO C[NH+](C)CC(=O)NC[C@@H](O)C(C)(C)C ZINC000133380366 325292098 /nfs/dbraw/zinc/29/20/98/325292098.db2.gz OKHLSPMZGUWHNP-MRVPVSSYSA-N 1 0 202.298 0.071 10 0 BCAERO Cc1cc(N(C)CCC[NH3+])n2ncnc2n1 ZINC000035663715 358000991 /nfs/dbraw/zinc/00/09/91/358000991.db2.gz OGNWNWDXVBDOGF-UHFFFAOYSA-N 1 0 220.280 0.218 10 0 BCAERO C[C@H](O)CNC(=O)C1([NH3+])CCCCC1 ZINC000035605749 358005222 /nfs/dbraw/zinc/00/52/22/358005222.db2.gz JNKYPGMAAARRLU-QMMMGPOBSA-N 1 0 200.282 0.145 10 0 BCAERO C[C@H](CO)[NH2+]CC(=O)NCc1ccccc1 ZINC000035604867 358005256 /nfs/dbraw/zinc/00/52/56/358005256.db2.gz WNFUACVQOWOXGC-SNVBAGLBSA-N 1 0 222.288 0.273 10 0 BCAERO C[C@H](O)CCN(C)C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000219758040 358008072 /nfs/dbraw/zinc/00/80/72/358008072.db2.gz MWSFXFBPWMHSRK-QWRGUYRKSA-N 1 0 228.336 0.605 10 0 BCAERO C[C@H](O)CCN(C)C(=O)C[C@H]1CCC[NH2+]C1 ZINC000219758190 358008176 /nfs/dbraw/zinc/00/81/76/358008176.db2.gz MWSFXFBPWMHSRK-WDEREUQCSA-N 1 0 228.336 0.605 10 0 BCAERO C[C@@H](O)CCN(C)C(=O)C[C@H]1CCC[NH2+]C1 ZINC000219758127 358008471 /nfs/dbraw/zinc/00/84/71/358008471.db2.gz MWSFXFBPWMHSRK-GHMZBOCLSA-N 1 0 228.336 0.605 10 0 BCAERO C[C@@H]([NH2+][C@@H]1CCC(=O)N(C)C1=O)[C@H]1C[C@H]1C ZINC000321610105 259476030 /nfs/dbraw/zinc/47/60/30/259476030.db2.gz ZDZIMZPKBKEVTH-DOLQZWNJSA-N 1 0 224.304 0.768 10 0 BCAERO COC[C@H](C)C[NH2+]C[C@H]1CN(C)CCO1 ZINC000086005433 358050269 /nfs/dbraw/zinc/05/02/69/358050269.db2.gz YFKGDTMUPUQNBD-MNOVXSKESA-N 1 0 216.325 0.189 10 0 BCAERO CN(CCC[NH3+])c1ccccc1S(C)(=O)=O ZINC000037673617 358091668 /nfs/dbraw/zinc/09/16/68/358091668.db2.gz XCMIGCJMQLUFAO-UHFFFAOYSA-N 1 0 242.344 0.875 10 0 BCAERO COC[C@@H](C)C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000170893877 134254400 /nfs/dbraw/zinc/25/44/00/134254400.db2.gz SSLFPBDYJZKGBB-NXEZZACHSA-N 1 0 214.309 0.479 10 0 BCAERO NC(=O)c1ccc(C[NH+]2CCCC2)c(N)c1 ZINC000037271971 181294962 /nfs/dbraw/zinc/29/49/62/181294962.db2.gz JGBLHPMBFZIKEI-UHFFFAOYSA-N 1 0 219.288 0.964 10 0 BCAERO C[NH+](C)[C@H]1CCN(C(=O)NC[C@H]2CCCO2)C1 ZINC000170861489 134253921 /nfs/dbraw/zinc/25/39/21/134253921.db2.gz QANRMAXKDQBKQE-WDEREUQCSA-N 1 0 241.335 0.511 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)O1 ZINC000222275215 358158016 /nfs/dbraw/zinc/15/80/16/358158016.db2.gz KVAOHJSPWKKANU-LNFKQOIKSA-N 1 0 226.320 0.668 10 0 BCAERO CSCCN1CCO[C@@H](C[NH+](C)C)C1 ZINC000171636852 134257584 /nfs/dbraw/zinc/25/75/84/134257584.db2.gz HBJQRDKLLVBJNI-JTQLQIEISA-N 1 0 218.366 0.612 10 0 BCAERO CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)[NH2+]C)C1 ZINC000052395879 358168624 /nfs/dbraw/zinc/16/86/24/358168624.db2.gz TWFMJQDXTZBLSX-NXEZZACHSA-N 1 0 242.319 0.396 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)N2CCC[C@@H]([NH3+])C2)O1 ZINC000222400508 358174312 /nfs/dbraw/zinc/17/43/12/358174312.db2.gz QIMYIAIIECAJKD-OPRDCNLKSA-N 1 0 212.293 0.504 10 0 BCAERO CO[C@@H](C)CNC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000223759102 358230153 /nfs/dbraw/zinc/23/01/53/358230153.db2.gz IFALNTDQTPJBSZ-UWVGGRQHSA-N 1 0 214.309 0.527 10 0 BCAERO CO[C@H](C)CNC(=O)[C@@]1(C)CCC[NH2+]1 ZINC000223748193 358230243 /nfs/dbraw/zinc/23/02/43/358230243.db2.gz VQMQQHMVZXDUOI-PSASIEDQSA-N 1 0 200.282 0.280 10 0 BCAERO CO[C@H]1C[NH2+][C@@H](C(=O)N2CCc3ccccc32)C1 ZINC000040630619 358243938 /nfs/dbraw/zinc/24/39/38/358243938.db2.gz OMGMGZSRFXVEQH-VXGBXAGGSA-N 1 0 246.310 0.953 10 0 BCAERO CO[C@H]1C[NH2+][C@@H](C(=O)NCc2ccccn2)C1 ZINC000040630689 358244197 /nfs/dbraw/zinc/24/41/97/358244197.db2.gz SPUQSTJXNHXNAM-GHMZBOCLSA-N 1 0 235.287 0.075 10 0 BCAERO CNc1nc([C@H]2CC[NH2+]C2)cn2ncnc12 ZINC000584612574 358275527 /nfs/dbraw/zinc/27/55/27/358275527.db2.gz CLWIXKFXBXQECF-ZETCQYMHSA-N 1 0 218.264 0.243 10 0 BCAERO C[NH2+]CCNC(=O)c1ccccc1-n1nccn1 ZINC000584592748 358251068 /nfs/dbraw/zinc/25/10/68/358251068.db2.gz OAPQEFMYXKOLNC-UHFFFAOYSA-N 1 0 245.286 0.217 10 0 BCAERO Cc1nn(C)cc1C1([NH3+])COC(C)(C)OC1 ZINC000584615204 358280026 /nfs/dbraw/zinc/28/00/26/358280026.db2.gz SVHPXHQDHSBXJP-UHFFFAOYSA-N 1 0 225.292 0.665 10 0 BCAERO C[C@@H](C[S@@](C)=O)[NH2+][C@@H]1CCCC[C@H]1O ZINC000226237616 358336264 /nfs/dbraw/zinc/33/62/64/358336264.db2.gz LEINKAMVDGVCSK-HGUJLJSRSA-N 1 0 219.350 0.647 10 0 BCAERO C[C@@H](CN(C)C)[NH2+][C@@H]1CCCC[C@H]1O ZINC000226235288 358336700 /nfs/dbraw/zinc/33/67/00/358336700.db2.gz UXBMLHRPXLKZFU-HBNTYKKESA-N 1 0 200.326 0.830 10 0 BCAERO C[C@@H](CCO)C[NH2+][C@@H]1CCCC[C@H]1O ZINC000226233243 358336758 /nfs/dbraw/zinc/33/67/58/358336758.db2.gz KMWCJJXMMNXCFK-HBNTYKKESA-N 1 0 201.310 0.898 10 0 BCAERO O=C(N[C@H]1CCCC[C@@H]1O)[C@H]1CC[NH2+]C1 ZINC000227321752 358354077 /nfs/dbraw/zinc/35/40/77/358354077.db2.gz WPJNNSPJQCWZSR-GUBZILKMSA-N 1 0 212.293 0.016 10 0 BCAERO CC(C)NS(=O)(=O)N(C)[C@@H]1CCC[NH2+]CC1 ZINC000226464347 358339782 /nfs/dbraw/zinc/33/97/82/358339782.db2.gz GWGRVIBTAHLRGZ-SNVBAGLBSA-N 1 0 249.380 0.303 10 0 BCAERO CN1CCN(c2ncccc2Cl)[C@@H](C[NH3+])C1 ZINC000226622070 358341627 /nfs/dbraw/zinc/34/16/27/358341627.db2.gz KRGRZOFDXDZFPD-VIFPVBQESA-N 1 0 240.738 0.814 10 0 BCAERO CC[C@H](C)NC(=O)[C@H]1C[C@@H](OC)C[NH2+]1 ZINC000226686612 358342543 /nfs/dbraw/zinc/34/25/43/358342543.db2.gz RDCHVTQAJZOKNX-DJLDLDEBSA-N 1 0 200.282 0.278 10 0 BCAERO COCCC1(CNC(=O)[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000226688395 358342580 /nfs/dbraw/zinc/34/25/80/358342580.db2.gz CNXJGAJFHUAMHQ-GHMZBOCLSA-N 1 0 240.347 0.775 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)O1 ZINC000229073456 358345067 /nfs/dbraw/zinc/34/50/67/358345067.db2.gz RXWQBSOWZXGHCN-WISYIIOYSA-N 1 0 240.347 0.997 10 0 BCAERO CC(C)(CC(N)=O)NC(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000227065847 358347975 /nfs/dbraw/zinc/34/79/75/358347975.db2.gz QTCYDORUGNDIBK-DTWKUNHWSA-N 1 0 241.335 0.274 10 0 BCAERO C[C@H]([NH3+])CCNC(=O)[C@@H]1[C@H](C)O[C@H](C)[C@H]1C ZINC000252681220 366419395 /nfs/dbraw/zinc/41/93/95/366419395.db2.gz GWZLJHZZQSFKMX-GEVSDDDWSA-N 1 0 228.336 0.899 10 0 BCAERO CCOCCN1CCO[C@H](c2nnc(C)[nH]2)C1 ZINC000173681464 134275897 /nfs/dbraw/zinc/27/58/97/134275897.db2.gz MRUMGNFWJFISSF-JTQLQIEISA-N 1 0 240.307 0.523 10 0 BCAERO CNC(=O)c1ccc(N[C@H](C)C[C@H](C)[NH3+])nn1 ZINC000228271292 358372035 /nfs/dbraw/zinc/37/20/35/358372035.db2.gz CHRXOZZUPNQAFJ-JGVFFNPUSA-N 1 0 237.307 0.374 10 0 BCAERO Cc1nnc([C@@H]2CN(C(C)C)CCO2)[nH]1 ZINC000173673494 134276104 /nfs/dbraw/zinc/27/61/04/134276104.db2.gz KEAMGXJGQVGPRT-VIFPVBQESA-N 1 0 210.281 0.895 10 0 BCAERO NC(=O)c1ccc(F)c(CN2CC[NH2+]CC2)c1 ZINC000019482995 181297065 /nfs/dbraw/zinc/29/70/65/181297065.db2.gz IZMGCJUAOSYIHE-UHFFFAOYSA-N 1 0 237.278 0.330 10 0 BCAERO CCCCOC[C@@H](O)C[NH2+]CCn1ccnc1 ZINC000227890127 358365258 /nfs/dbraw/zinc/36/52/58/358365258.db2.gz AIGCDYJEJIHWIQ-LBPRGKRZSA-N 1 0 241.335 0.650 10 0 BCAERO C[C@H](NC(=O)[C@H]1CC[NH2+]C1)c1cn[nH]c1 ZINC000229705895 358406805 /nfs/dbraw/zinc/40/68/05/358406805.db2.gz CEOMQQWASZAINF-YUMQZZPRSA-N 1 0 208.265 0.196 10 0 BCAERO C[C@H](NC(=O)[C@@H]1CC[C@@H]([NH3+])C1)c1cn[nH]c1 ZINC000229702648 358406934 /nfs/dbraw/zinc/40/69/34/358406934.db2.gz VQROJEPPDCUAOZ-QXFUBDJGSA-N 1 0 222.292 0.714 10 0 BCAERO C[C@H](NC(=O)C[C@@H]1CCC[NH2+]C1)c1cn[nH]c1 ZINC000229702004 358406942 /nfs/dbraw/zinc/40/69/42/358406942.db2.gz KHPAXLXHELOXEE-UWVGGRQHSA-N 1 0 236.319 0.977 10 0 BCAERO [NH3+]C[C@@H]1CCCCN1C(=O)c1ccc[nH]c1=O ZINC000044541421 358390719 /nfs/dbraw/zinc/39/07/19/358390719.db2.gz BWRWGYSIRMPTDA-VIFPVBQESA-N 1 0 235.287 0.328 10 0 BCAERO CC(C)(O)C[NH2+]CCSCCCO ZINC000230789822 358410728 /nfs/dbraw/zinc/41/07/28/358410728.db2.gz QLZWCVPASIRKMI-UHFFFAOYSA-N 1 0 207.339 0.463 10 0 BCAERO CN(C)C(=O)CC[NH2+][C@@H]1CCCC[C@H]1O ZINC000044991901 358398792 /nfs/dbraw/zinc/39/87/92/358398792.db2.gz QCGXFGOMWCTEOZ-NXEZZACHSA-N 1 0 214.309 0.358 10 0 BCAERO CNC(=O)C(C)(C)CNC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000230393924 358398833 /nfs/dbraw/zinc/39/88/33/358398833.db2.gz AQITZEXVTOQYNI-BDAKNGLRSA-N 1 0 241.335 0.002 10 0 BCAERO C[C@@H](NC(=O)C[C@@H]1CCC[NH2+]C1)c1nc[nH]n1 ZINC000230428683 358399235 /nfs/dbraw/zinc/39/92/35/358399235.db2.gz OCZRUEXWOSBBED-BDAKNGLRSA-N 1 0 237.307 0.372 10 0 BCAERO C[C@]1(NC(=O)C[C@@H]2CCC[NH2+]C2)CCOC1 ZINC000229459380 358403720 /nfs/dbraw/zinc/40/37/20/358403720.db2.gz QUPUDAAMYLOPEE-JQWIXIFHSA-N 1 0 226.320 0.671 10 0 BCAERO CC(C)CNC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000117022274 358451260 /nfs/dbraw/zinc/45/12/60/358451260.db2.gz XCARGEJHCRRZQM-LLVKDONJSA-N 1 0 243.351 0.614 10 0 BCAERO CCc1nn(C)cc1NC(=O)[C@@H](C)[NH2+]C ZINC000231084701 358414611 /nfs/dbraw/zinc/41/46/11/358414611.db2.gz OEQPPUOEBPZTFH-SSDOTTSWSA-N 1 0 210.281 0.529 10 0 BCAERO [NH3+]CC1(C(=O)N[C@@H]2CCSC2)CCOCC1 ZINC000231353144 358416778 /nfs/dbraw/zinc/41/67/78/358416778.db2.gz MZCBNVNOLNDTQD-SECBINFHSA-N 1 0 244.360 0.364 10 0 BCAERO CO[C@H](C)CNC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000299892659 358419895 /nfs/dbraw/zinc/41/98/95/358419895.db2.gz CAUVATWHMSVIPD-VGMNWLOBSA-N 1 0 200.282 0.265 10 0 BCAERO CCOC(=O)CC[C@H](O)C[NH2+][C@H]1CCO[C@H]1C ZINC000385490511 358442171 /nfs/dbraw/zinc/44/21/71/358442171.db2.gz DBJGCESHFFCUHT-DCAQKATOSA-N 1 0 245.319 0.458 10 0 BCAERO CC[N@@H+]1CCC[C@@H]1CN(C)CC(=O)NC(C)C ZINC000175359515 134285464 /nfs/dbraw/zinc/28/54/64/134285464.db2.gz SJXLOTUZGDMIGO-GFCCVEGCSA-N 1 0 241.379 0.927 10 0 BCAERO O=C(c1ccc[nH]c1=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000049515970 358693213 /nfs/dbraw/zinc/69/32/13/358693213.db2.gz CTFPSBPNFQAGGO-JTQLQIEISA-N 1 0 247.298 0.295 10 0 BCAERO O=C(c1cnns1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000049516049 358693549 /nfs/dbraw/zinc/69/35/49/358693549.db2.gz CBLXVOSWGANQGK-QMMMGPOBSA-N 1 0 238.316 0.458 10 0 BCAERO NC(=O)c1cccc(C[NH2+][C@@H]2CCCNC2=O)c1 ZINC000050396348 358726357 /nfs/dbraw/zinc/72/63/57/358726357.db2.gz KAPGFHPVAAQJGL-LLVKDONJSA-N 1 0 247.298 0.154 10 0 BCAERO Nc1ccnc(CN2CC[N@@H+]3CCCC[C@@H]3C2)n1 ZINC000135196328 358824158 /nfs/dbraw/zinc/82/41/58/358824158.db2.gz YVILXXRKEPVGKB-LLVKDONJSA-N 1 0 247.346 0.729 10 0 BCAERO C[C@H](CS(C)(=O)=O)[NH2+][C@@H]1CCC[C@H](O)C1 ZINC000081900447 491136963 /nfs/dbraw/zinc/13/69/63/491136963.db2.gz VTKYDNSPLCFKLR-BBBLOLIVSA-N 1 0 235.349 0.313 10 0 BCAERO Cc1cc(N[C@H](C)CC[NH3+])n2ncnc2n1 ZINC000134268327 358784811 /nfs/dbraw/zinc/78/48/11/358784811.db2.gz DXTUJHQOUSQWKX-SSDOTTSWSA-N 1 0 220.280 0.582 10 0 BCAERO Cc1nccnc1NCCCN1CC[NH2+]CC1 ZINC000214422282 358786647 /nfs/dbraw/zinc/78/66/47/358786647.db2.gz XIULWBQBNLJKNC-UHFFFAOYSA-N 1 0 235.335 0.492 10 0 BCAERO CN(C(=O)C[N@@H+]1CCC[C@@H]1CCCO)C1CC1 ZINC000052762545 358792728 /nfs/dbraw/zinc/79/27/28/358792728.db2.gz AXSGYDKTGNYFAI-GFCCVEGCSA-N 1 0 240.347 0.844 10 0 BCAERO OCCC[C@H]1CCC[N@@H+]1CCN1CCOCC1 ZINC000052762757 358793169 /nfs/dbraw/zinc/79/31/69/358793169.db2.gz XKWKGRYBBXADKS-CYBMUJFWSA-N 1 0 242.363 0.556 10 0 BCAERO CN[C@]1(C(F)F)CCS(=O)(=O)[C@H]1C ZINC000306150346 358871350 /nfs/dbraw/zinc/87/13/50/358871350.db2.gz FUCKSWCXQXKCIF-CAHLUQPWSA-N 1 0 213.249 0.417 10 0 BCAERO Cc1nsc([C@]2(C[NH3+])CCCOC2)n1 ZINC000306152429 358916925 /nfs/dbraw/zinc/91/69/25/358916925.db2.gz ALJIFCDJKWHSKC-VIFPVBQESA-N 1 0 213.306 0.853 10 0 BCAERO C[C@H]([NH3+])[C@H](C)[S@](=O)[C@H]1CCO[C@@H]1C ZINC000300334995 358962413 /nfs/dbraw/zinc/96/24/13/358962413.db2.gz BJCRBLMCBLNWMZ-NDABPICFSA-N 1 0 205.323 0.648 10 0 BCAERO C[C@@H]1OCC[C@@H]1S[C@@H]1C[NH2+]C[C@H]1O ZINC000300337769 358963279 /nfs/dbraw/zinc/96/32/79/358963279.db2.gz OUSURMMUXFELMU-UYXSQOIJSA-N 1 0 203.307 0.230 10 0 BCAERO CC[C@H](C(N)=S)[N@@H+]1CCN(C)C[C@H]1C ZINC000300355086 358971858 /nfs/dbraw/zinc/97/18/58/358971858.db2.gz GPLIWKGKPWTQGP-RKDXNWHRSA-N 1 0 215.366 0.687 10 0 BCAERO CN1CC[C@H]([NH2+]CC2(F)CCC2)C1=O ZINC000306154937 358941429 /nfs/dbraw/zinc/94/14/29/358941429.db2.gz BQYFIGKCTHEABS-QMMMGPOBSA-N 1 0 200.257 0.699 10 0 BCAERO CS[C@@H]1CC[C@H](N2C[C@H]([NH3+])C2=O)C1 ZINC000300378055 358977948 /nfs/dbraw/zinc/97/79/48/358977948.db2.gz AUEXYPIGULSHAY-RNJXMRFFSA-N 1 0 200.307 0.440 10 0 BCAERO C/C(=C\c1c(Br)nnn1C)C[NH3+] ZINC000306158272 358953888 /nfs/dbraw/zinc/95/38/88/358953888.db2.gz JDTGUMDFUNNYCU-HWKANZROSA-N 1 0 231.097 0.940 10 0 BCAERO CS(C)(=O)=NC(=O)C1=CC[C@H]([NH3+])C1 ZINC000306193269 359020655 /nfs/dbraw/zinc/02/06/55/359020655.db2.gz UJOBRRPKYLKSTI-RQJHMYQMSA-N 1 0 202.279 0.144 10 0 BCAERO COC(=O)[C@@H](C)[N@@H+]1CC[C@@H](O)C1(C)C ZINC000306199947 359027222 /nfs/dbraw/zinc/02/72/22/359027222.db2.gz SHJQFEMXNUIGEP-HTQZYQBOSA-N 1 0 201.266 0.393 10 0 BCAERO CCn1ccnc(NC[C@@H]([NH3+])C(C)C)c1=O ZINC000070010925 359038027 /nfs/dbraw/zinc/03/80/27/359038027.db2.gz BYAIBWXMNQDBIE-SECBINFHSA-N 1 0 224.308 0.658 10 0 BCAERO CC(C)S(=O)(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000228155602 359008358 /nfs/dbraw/zinc/00/83/58/359008358.db2.gz ACZWZGSOLNPJFC-DTWKUNHWSA-N 1 0 220.338 0.394 10 0 BCAERO COC(=O)c1ccc(NC[C@H]([NH3+])C(C)C)nn1 ZINC000070463567 359056894 /nfs/dbraw/zinc/05/68/94/359056894.db2.gz JMJOFYZDIQGNLT-QMMMGPOBSA-N 1 0 238.291 0.658 10 0 BCAERO CCc1nnc(CN2CC[N@@H+]3CCC[C@H]3C2)n1C ZINC000247129573 359195833 /nfs/dbraw/zinc/19/58/33/359195833.db2.gz KGGKEWHQCXVPBS-NSHDSACASA-N 1 0 249.362 0.658 10 0 BCAERO CO[C@H](C)C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000247020828 359185401 /nfs/dbraw/zinc/18/54/01/359185401.db2.gz HKSBESNXUWRJEN-HBNTYKKESA-N 1 0 228.336 0.866 10 0 BCAERO C[NH+](C)C[C@@H]1CN(C[C@H]2CCCO2)CCO1 ZINC000247042886 359190128 /nfs/dbraw/zinc/19/01/28/359190128.db2.gz DWIJGSAYIZXVFY-VXGBXAGGSA-N 1 0 228.336 0.428 10 0 BCAERO C[C@@H]1C[N@H+](CCCCO)C[C@H]1N1CCOCC1 ZINC000246523452 359144227 /nfs/dbraw/zinc/14/42/27/359144227.db2.gz RLOIRPQEHPQMHF-CHWSQXEVSA-N 1 0 242.363 0.411 10 0 BCAERO CCN1CCC[C@H]([NH2+][C@H](C)CS(C)(=O)=O)C1 ZINC000246714350 359158585 /nfs/dbraw/zinc/15/85/85/359158585.db2.gz UBCGWPQFNJOSIE-MNOVXSKESA-N 1 0 248.392 0.493 10 0 BCAERO CC(=O)NCCCN1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000246794109 359165307 /nfs/dbraw/zinc/16/53/07/359165307.db2.gz BOAHIJAJXBAPMA-YPMHNXCESA-N 1 0 239.363 0.681 10 0 BCAERO C[C@H](O)C[N@@H+]1CCN(Cc2ccncc2)C[C@H]1C ZINC000247126150 359195556 /nfs/dbraw/zinc/19/55/56/359195556.db2.gz ZBKXNBHENQSMAJ-OLZOCXBDSA-N 1 0 249.358 0.969 10 0 BCAERO C[C@H]1C[N@@H+]([C@H]2CCN(C)C2=O)CCS1 ZINC000247565195 359235085 /nfs/dbraw/zinc/23/50/85/359235085.db2.gz VOIPMQYCJCCGFT-IUCAKERBSA-N 1 0 214.334 0.654 10 0 BCAERO COC[C@@H](C)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000247577380 359236300 /nfs/dbraw/zinc/23/63/00/359236300.db2.gz SJWAAYLRSPAPHN-MNOVXSKESA-N 1 0 216.325 0.284 10 0 BCAERO CC[C@H](O)C[N@@H+]1CCN(C[C@@H](C)O)[C@H](CC)C1 ZINC000247869141 359246858 /nfs/dbraw/zinc/24/68/58/359246858.db2.gz XGMPKOFYPOGKNV-UPJWGTAASA-N 1 0 244.379 0.534 10 0 BCAERO COC[C@H](C)[N@@H+]1CCC[C@@H](n2cncn2)C1 ZINC000247179600 359199387 /nfs/dbraw/zinc/19/93/87/359199387.db2.gz BHMJKRIAYKXYTR-WDEREUQCSA-N 1 0 224.308 0.950 10 0 BCAERO CC[C@H]1CN(CCCO)CC[N@@H+]1C[C@H](C)O ZINC000247240726 359203773 /nfs/dbraw/zinc/20/37/73/359203773.db2.gz SILGDTOKSZRPIJ-RYUDHWBXSA-N 1 0 230.352 0.146 10 0 BCAERO CCOCC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000247311662 359211870 /nfs/dbraw/zinc/21/18/70/359211870.db2.gz OCKXCRDTPWZCCZ-GHMZBOCLSA-N 1 0 226.320 0.718 10 0 BCAERO C[C@@H]1CC[N@H+](C[C@@H](O)CN2CCCC2=O)[C@H]1C ZINC000247346034 359213623 /nfs/dbraw/zinc/21/36/23/359213623.db2.gz OKUOSDRNDYLZBZ-GRYCIOLGSA-N 1 0 240.347 0.700 10 0 BCAERO COC[C@@H](C)[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000247462739 359222266 /nfs/dbraw/zinc/22/22/66/359222266.db2.gz IMSRKQCPHJIGAU-VXGBXAGGSA-N 1 0 228.336 0.428 10 0 BCAERO C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NC(=O)C(F)F ZINC000306201152 359290431 /nfs/dbraw/zinc/29/04/31/359290431.db2.gz KKHYISODABXDAD-VQVTYTSYSA-N 1 0 206.236 0.754 10 0 BCAERO CC[C@](C)([C@H](C)O)[NH+]1CCC(O)CC1 ZINC000306221630 359343104 /nfs/dbraw/zinc/34/31/04/359343104.db2.gz QBFOGDDXIGUTCW-GXSJLCMTSA-N 1 0 201.310 0.993 10 0 BCAERO C[NH2+]C[C@@]1(O)CCO[C@@H](C(F)(F)F)C1 ZINC000306245277 359428169 /nfs/dbraw/zinc/42/81/69/359428169.db2.gz UZGMIDVETFSDAT-RNFRBKRXSA-N 1 0 213.199 0.678 10 0 BCAERO CC1(C)CN(S(=O)(=O)[C@@H]2CC[NH2+]C2)C1 ZINC000306245488 359429946 /nfs/dbraw/zinc/42/99/46/359429946.db2.gz QKEXMHFMSAVVAQ-MRVPVSSYSA-N 1 0 218.322 0.020 10 0 BCAERO CCNC(=S)N[C@@H]1C[N@H+](C)C[C@@H]1C ZINC000306247748 359433549 /nfs/dbraw/zinc/43/35/49/359433549.db2.gz WHNRJBHVFUVBST-JGVFFNPUSA-N 1 0 201.339 0.421 10 0 BCAERO CCNC(=S)N[C@H]1C[N@H+](C)C[C@@H]1C ZINC000306247750 359434002 /nfs/dbraw/zinc/43/40/02/359434002.db2.gz WHNRJBHVFUVBST-YUMQZZPRSA-N 1 0 201.339 0.421 10 0 BCAERO Oc1cccc(CN2CC[C@@H]3OCC[NH2+][C@@H]3C2)c1 ZINC000404256739 359390162 /nfs/dbraw/zinc/39/01/62/359390162.db2.gz MGCWKRGJDDTEOG-KGLIPLIRSA-N 1 0 248.326 0.955 10 0 BCAERO [NH3+][C@H]1CCOC[C@@H]1N1CCC(F)(F)C1 ZINC000306248493 359443572 /nfs/dbraw/zinc/44/35/72/359443572.db2.gz UVHZDBOUXVLAQO-YUMQZZPRSA-N 1 0 206.236 0.444 10 0 BCAERO C[C@H]1OCC[C@H]1[NH2+]CC1(C)OCCO1 ZINC000306248890 359445941 /nfs/dbraw/zinc/44/59/41/359445941.db2.gz QTMIADKUWOUFFJ-RKDXNWHRSA-N 1 0 201.266 0.516 10 0 BCAERO [NH2+]=C(NCc1ccccc1)N[C@@H]1COC[C@H]1O ZINC000306270723 359503078 /nfs/dbraw/zinc/50/30/78/359503078.db2.gz QFDORQDYDAJTPQ-GHMZBOCLSA-N 1 0 235.287 0.060 10 0 BCAERO O=[S@@]1CCCN(C[C@@H]2CCC[NH2+]2)CC1 ZINC000306274862 359506570 /nfs/dbraw/zinc/50/65/70/359506570.db2.gz KFDCGBLCZQQCCP-IINYFYTJSA-N 1 0 216.350 0.193 10 0 BCAERO Cn1nnc(Br)c1[C@H]1C[C@@H]1[NH3+] ZINC000306280953 359512401 /nfs/dbraw/zinc/51/24/01/359512401.db2.gz UXSHNSVEMYACEH-IMJSIDKUSA-N 1 0 217.070 0.392 10 0 BCAERO C1[NH2+]CC1N1CCCC[C@H]1C1OCCO1 ZINC000306286111 359518253 /nfs/dbraw/zinc/51/82/53/359518253.db2.gz DCWJPQDXWXTVKR-JTQLQIEISA-N 1 0 212.293 0.186 10 0 BCAERO Cc1ncsc1C[NH2+][C@H]1CCOC[C@H]1O ZINC000623764436 359485823 /nfs/dbraw/zinc/48/58/23/359485823.db2.gz DZMCQTIYOGNBJH-DTWKUNHWSA-N 1 0 228.317 0.691 10 0 BCAERO Cc1ncc(Br)c(OC2C[NH2+]C2)n1 ZINC000306296281 359540087 /nfs/dbraw/zinc/54/00/87/359540087.db2.gz BJMKRBRBQMJNFL-UHFFFAOYSA-N 1 0 244.092 0.898 10 0 BCAERO CCC[C@@H]1CN(C(=O)[C@@H]2C[NH2+]C[C@H]2C)CCO1 ZINC000423782447 192835361 /nfs/dbraw/zinc/83/53/61/192835361.db2.gz ZMPNFXDSDFBGQP-IJLUTSLNSA-N 1 0 240.347 0.869 10 0 BCAERO COc1cc([C@@]2(O)CC[NH2+]C2)sn1 ZINC000306307303 359589973 /nfs/dbraw/zinc/58/99/73/359589973.db2.gz QUYZHOFLNCACLU-MRVPVSSYSA-N 1 0 200.263 0.333 10 0 BCAERO Cc1ccc(O)c(C[NH2+][C@@H]2CCOC[C@@H]2O)n1 ZINC000623765145 359641145 /nfs/dbraw/zinc/64/11/45/359641145.db2.gz OHZSCPVRZTYDRO-SKDRFNHKSA-N 1 0 238.287 0.335 10 0 BCAERO c1nnc2sc(C3CC[NH2+]CC3)nn12 ZINC000032012184 359633829 /nfs/dbraw/zinc/63/38/29/359633829.db2.gz HYLVMZRZADUQFQ-UHFFFAOYSA-N 1 0 209.278 0.653 10 0 BCAERO Cc1ccc(C[NH2+][C@H]2CCOC[C@@H]2O)o1 ZINC000623764969 359635301 /nfs/dbraw/zinc/63/53/01/359635301.db2.gz MBQFWTNLKGIEOF-QWRGUYRKSA-N 1 0 211.261 0.827 10 0 BCAERO COC(=O)C(C)(C)NC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089453420 359644017 /nfs/dbraw/zinc/64/40/17/359644017.db2.gz YZYBXAYWGGXZFY-BDAKNGLRSA-N 1 0 242.319 0.429 10 0 BCAERO CCN1C[C@H](C)[C@H]([NH2+]Cc2cn[nH]c2)C1 ZINC000309057286 491143504 /nfs/dbraw/zinc/14/35/04/491143504.db2.gz UZKKMXLYKJIESQ-GXSJLCMTSA-N 1 0 208.309 0.840 10 0 BCAERO C[C@H](C[N@@H+]1CCC[C@H](O)CC1)C(N)=S ZINC000306371289 359706104 /nfs/dbraw/zinc/70/61/04/359706104.db2.gz CQTHDQPCHSWRPE-BDAKNGLRSA-N 1 0 216.350 0.755 10 0 BCAERO CNC(=S)N1CC[C@@H]([NH+](C)C)[C@@H]1C ZINC000306381245 359731163 /nfs/dbraw/zinc/73/11/63/359731163.db2.gz WCOBVDBXPGHMGN-JGVFFNPUSA-N 1 0 201.339 0.515 10 0 BCAERO CNC(=S)N1CC[C@@H]([NH+](C)C)[C@H]1C ZINC000306381244 359731397 /nfs/dbraw/zinc/73/13/97/359731397.db2.gz WCOBVDBXPGHMGN-HTQZYQBOSA-N 1 0 201.339 0.515 10 0 BCAERO C[C@H]([NH3+])[C@@H]1CN(c2ncns2)CCO1 ZINC000169202117 359775287 /nfs/dbraw/zinc/77/52/87/359775287.db2.gz UXCCZHLTIAHTGK-BQBZGAKWSA-N 1 0 214.294 0.091 10 0 BCAERO CS(C)(=O)=NC(=O)[C@H]1CCC[C@H]1[NH3+] ZINC000306402718 359784610 /nfs/dbraw/zinc/78/46/10/359784610.db2.gz RHICUOVRKNAUMH-NKWVEPMBSA-N 1 0 204.295 0.368 10 0 BCAERO [NH3+][C@H]1C[C@H]1NC(=O)c1scnc1Cl ZINC000306407083 359795653 /nfs/dbraw/zinc/79/56/53/359795653.db2.gz XHJBGFJQXFHOCP-IUYQGCFVSA-N 1 0 217.681 0.626 10 0 BCAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]Cc1cn[nH]c1 ZINC000309110998 491144852 /nfs/dbraw/zinc/14/48/52/491144852.db2.gz JRGVITLBTDWMKL-IONNQARKSA-N 1 0 208.265 0.166 10 0 BCAERO C[C@@H]1C[C@@H]([NH2+][C@H]2CCOC[C@@H]2O)C[C@H](C)O1 ZINC000623766120 359852145 /nfs/dbraw/zinc/85/21/45/359852145.db2.gz ALZDQNNUQVDGPW-OSUNSFLBSA-N 1 0 229.320 0.682 10 0 BCAERO CNC(=O)[C@@H](C[NH3+])Cc1ccc(OC)c(F)c1 ZINC000086992199 359892440 /nfs/dbraw/zinc/89/24/40/359892440.db2.gz WKXKTXYUTQFJTR-SECBINFHSA-N 1 0 240.278 0.698 10 0 BCAERO Cc1ccc(C[NH2+][C@H]2CCCNC2=O)nc1 ZINC000087782372 359927511 /nfs/dbraw/zinc/92/75/11/359927511.db2.gz RHVFOZXYGNJVDT-NSHDSACASA-N 1 0 219.288 0.758 10 0 BCAERO Cn1nccc1[C@]12CC[N@@H+](C3CC3)C[C@H]1O2 ZINC000536960525 360014274 /nfs/dbraw/zinc/01/42/74/360014274.db2.gz QZMDRNMVDMUBLK-VXGBXAGGSA-N 1 0 219.288 0.882 10 0 BCAERO C[C@H]1SCC[C@@H]1[NH2+][C@@H]1COC[C@H]1O ZINC000306454403 360041603 /nfs/dbraw/zinc/04/16/03/360041603.db2.gz PLUBRMJAZJIBMJ-BZNPZCIMSA-N 1 0 203.307 0.230 10 0 BCAERO CC(C)(C)OC(=O)NC[C@H]1C[NH2+]CC[C@H]1O ZINC000138116268 360074409 /nfs/dbraw/zinc/07/44/09/360074409.db2.gz HVCNIHPVOLFYQV-RKDXNWHRSA-N 1 0 230.308 0.482 10 0 BCAERO C[C@]1(C[NH2+][C@H]2CCNC2=O)CCCS1 ZINC000306465644 360078745 /nfs/dbraw/zinc/07/87/45/360078745.db2.gz JZWPUZTYMFMURJ-WCBMZHEXSA-N 1 0 214.334 0.750 10 0 BCAERO C[C@@H]1C[C@@](O)(C(N)=O)C[N@@H+]1Cc1ccccc1 ZINC000306482034 360147831 /nfs/dbraw/zinc/14/78/31/360147831.db2.gz KNDKGQZXLRFYLO-MFKMUULPSA-N 1 0 234.299 0.497 10 0 BCAERO O[C@@H]1CCN(C[C@@H](F)C(F)(F)F)C1 ZINC000306477040 360110213 /nfs/dbraw/zinc/11/02/13/360110213.db2.gz YVSBHIAQMQABMQ-PHDIDXHHSA-N 1 0 201.163 0.953 10 0 BCAERO NC(=O)c1ccc(NC[C@@H]2CCC[NH2+]2)cc1 ZINC000053255093 181299934 /nfs/dbraw/zinc/29/99/34/181299934.db2.gz BGOKFMVEZJOGMY-NSHDSACASA-N 1 0 219.288 0.949 10 0 BCAERO O=[S@@]1CCCN([C@H]2CCC[NH2+]C2)CC1 ZINC000306484705 360160756 /nfs/dbraw/zinc/16/07/56/360160756.db2.gz MSWXCDKZUVKXMM-IINYFYTJSA-N 1 0 216.350 0.193 10 0 BCAERO Cc1noc(C)c1CNC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000092330594 360163195 /nfs/dbraw/zinc/16/31/95/360163195.db2.gz XXKVBNJVFIYOIT-GMSGAONNSA-N 1 0 237.303 0.763 10 0 BCAERO C[C@@H]([NH3+])CN1CC[S@](=O)C(C)(C)C1 ZINC000306494886 360214984 /nfs/dbraw/zinc/21/49/84/360214984.db2.gz BMDJICBRQBMYGQ-OQPBUACISA-N 1 0 204.339 0.177 10 0 BCAERO C[C@H]([NH3+])CN1CC[S@](=O)C(C)(C)C1 ZINC000306494887 360215306 /nfs/dbraw/zinc/21/53/06/360215306.db2.gz BMDJICBRQBMYGQ-SDBXPKJASA-N 1 0 204.339 0.177 10 0 BCAERO [NH3+][C@@H]1COC[C@H]1Nc1ncncc1Cl ZINC000306498219 360235228 /nfs/dbraw/zinc/23/52/28/360235228.db2.gz DPRAHPHSYBJHRU-RNFRBKRXSA-N 1 0 214.656 0.268 10 0 BCAERO [NH3+][C@H]1COC[C@H]1Nc1ncncc1Cl ZINC000306498218 360235423 /nfs/dbraw/zinc/23/54/23/360235423.db2.gz DPRAHPHSYBJHRU-NKWVEPMBSA-N 1 0 214.656 0.268 10 0 BCAERO [NH3+][C@@H]1CCCN([C@H]2CCSC2)C1=O ZINC000231418925 360274685 /nfs/dbraw/zinc/27/46/85/360274685.db2.gz HXHINEOEFXDETF-JGVFFNPUSA-N 1 0 200.307 0.442 10 0 BCAERO [NH3+][C@@H](CC(F)F)C(=O)Nc1ncc[nH]1 ZINC000306501991 360293979 /nfs/dbraw/zinc/29/39/79/360293979.db2.gz SVVASQIKKYRMIG-BYPYZUCNSA-N 1 0 204.180 0.331 10 0 BCAERO CNC(=O)c1ccc(NC[C@H]([NH3+])C(C)C)nn1 ZINC000095013359 360330743 /nfs/dbraw/zinc/33/07/43/360330743.db2.gz DXIIFSDDRQXWOO-QMMMGPOBSA-N 1 0 237.307 0.231 10 0 BCAERO O=C(NCC(F)(F)Br)[C@H]1CC[NH2+]1 ZINC000306514591 360338069 /nfs/dbraw/zinc/33/80/69/360338069.db2.gz APLZQCNURWHRNB-SCSAIBSYSA-N 1 0 243.051 0.452 10 0 BCAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C[C@@H]1COCCO1 ZINC000094448646 360308911 /nfs/dbraw/zinc/30/89/11/360308911.db2.gz SUJOFHDVLRRAHI-JHJVBQTASA-N 1 0 240.347 0.570 10 0 BCAERO NC(=O)c1ccc(OC[C@H]2CCC[NH2+]2)nc1 ZINC000051866172 181300770 /nfs/dbraw/zinc/30/07/70/181300770.db2.gz CHJQIHZLKVCYAA-SECBINFHSA-N 1 0 221.260 0.311 10 0 BCAERO C[C@@H]1[C@@H](N(C)C)CC[N@@H+]1C(C)(C)CO ZINC000306536256 360400134 /nfs/dbraw/zinc/40/01/34/360400134.db2.gz GYPSSDTTXGKRTA-ZJUUUORDSA-N 1 0 200.326 0.782 10 0 BCAERO C/C=C/CS(=O)(=O)N1CCC[NH2+]CC1 ZINC000306534354 360393379 /nfs/dbraw/zinc/39/33/79/360393379.db2.gz IMZOCJQZAVAERL-NSCUHMNNSA-N 1 0 218.322 0.188 10 0 BCAERO C[NH2+][C@H](c1nncn1C)[C@@H]1CCSC1 ZINC000306562595 360438901 /nfs/dbraw/zinc/43/89/01/360438901.db2.gz OGMRPXRQJADMBZ-SFYZADRCSA-N 1 0 212.322 0.829 10 0 BCAERO C[C@@H]1[C@@H](O)CCC[N@@H+]1CC[S@@](C)=O ZINC000306564100 360442861 /nfs/dbraw/zinc/44/28/61/360442861.db2.gz DNKNSPIQSFISPA-VYUIOLGVSA-N 1 0 205.323 0.210 10 0 BCAERO CC1(C)CCC[C@@](C[NH3+])(CCO)[C@H]1O ZINC000306538363 360404569 /nfs/dbraw/zinc/40/45/69/360404569.db2.gz MDXCGCFRHJTIIT-ONGXEEELSA-N 1 0 201.310 0.885 10 0 BCAERO COC1([C@H]2OC[C@H](C[NH3+])O2)CCCC1 ZINC000306543342 360411595 /nfs/dbraw/zinc/41/15/95/360411595.db2.gz SBEQERFWYOWYDG-IUCAKERBSA-N 1 0 201.266 0.646 10 0 BCAERO NNc1nc(N[C@@H]2CCSC2)cc[nH+]1 ZINC000231456029 360415718 /nfs/dbraw/zinc/41/57/18/360415718.db2.gz ITLJPBYCTQHRJH-ZCFIWIBFSA-N 1 0 211.294 0.680 10 0 BCAERO C[C@H]1CC[N@@H+]([C@@H](C[NH3+])C(=O)[O-])CCS1 ZINC000306568753 360450632 /nfs/dbraw/zinc/45/06/32/360450632.db2.gz VINMHLGDGSBRGO-YUMQZZPRSA-N 1 0 218.322 0.226 10 0 BCAERO [NH3+][C@H]1CCC[C@@H]1C(=O)Cc1csnn1 ZINC000306553744 360426936 /nfs/dbraw/zinc/42/69/36/360426936.db2.gz GVNZEQPPKJFXHD-YUMQZZPRSA-N 1 0 211.290 0.777 10 0 BCAERO O=C(C[C@@H]1COCC[NH2+]1)c1ccsn1 ZINC000306557945 360430346 /nfs/dbraw/zinc/43/03/46/360430346.db2.gz OLFOGWXXXGJSGI-SSDOTTSWSA-N 1 0 212.274 0.704 10 0 BCAERO CC(C)[S@@](=O)N1CC[NH2+][C@@H](C)[C@@H]1C ZINC000306560418 360435052 /nfs/dbraw/zinc/43/50/52/360435052.db2.gz MMPSVVKZOWNSBD-MWODSPESSA-N 1 0 204.339 0.741 10 0 BCAERO C[C@@H]1CSC[C@H]1N1C[C@H]([NH3+])CC1=O ZINC000306583720 360481934 /nfs/dbraw/zinc/48/19/34/360481934.db2.gz PSNQGEUAZGNCBL-BWZBUEFSSA-N 1 0 200.307 0.298 10 0 BCAERO C[C@@H]1CSC[C@@H]1N1C[C@H]([NH3+])CC1=O ZINC000306583724 360482093 /nfs/dbraw/zinc/48/20/93/360482093.db2.gz PSNQGEUAZGNCBL-PRJMDXOYSA-N 1 0 200.307 0.298 10 0 BCAERO C[C@@H]1C[C@H](NC(=O)CC2C[NH2+]C2)CS1 ZINC000306584961 360484730 /nfs/dbraw/zinc/48/47/30/360484730.db2.gz QMVMCXUKTAQONE-APPZFPTMSA-N 1 0 214.334 0.606 10 0 BCAERO C[C@H]1C[C@H](NC(=O)C2([NH3+])CCC2)CS1 ZINC000306590235 360493168 /nfs/dbraw/zinc/49/31/68/360493168.db2.gz UYUYEBPQQBIVRT-YUMQZZPRSA-N 1 0 214.334 0.878 10 0 BCAERO COC1(OC)CN([C@H]2C[NH2+][C@H](C)C2)C1 ZINC000306594709 360512447 /nfs/dbraw/zinc/51/24/47/360512447.db2.gz XMEGRFQDPYXHFO-RKDXNWHRSA-N 1 0 200.282 0.042 10 0 BCAERO C[C@H](O)C[N@H+](C)[C@H]1CC[NH2+]CC1(C)C ZINC000300811056 360517463 /nfs/dbraw/zinc/51/74/63/360517463.db2.gz HDCUBOFKCNOEEC-UWVGGRQHSA-N 1 0 200.326 0.687 10 0 BCAERO C[C@H]([C@H](C)[NH3+])N1CCCCS1(=O)=O ZINC000306596906 360518407 /nfs/dbraw/zinc/51/84/07/360518407.db2.gz NKDLKTWSFZMDHN-JGVFFNPUSA-N 1 0 206.311 0.148 10 0 BCAERO COC[C@H](C)C[NH2+]C1CCN(CCO)CC1 ZINC000309501505 491150432 /nfs/dbraw/zinc/15/04/32/491150432.db2.gz ZWDLFNVEOFXFSA-LLVKDONJSA-N 1 0 230.352 0.315 10 0 BCAERO COC[C@H]1CCN(C(=O)[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000081061830 360687928 /nfs/dbraw/zinc/68/79/28/360687928.db2.gz YCTARFXDQLXUMT-OUAUKWLOSA-N 1 0 226.320 0.337 10 0 BCAERO NC(=O)c1cccnc1OC[C@H]1CCC[NH2+]1 ZINC000051865783 181307312 /nfs/dbraw/zinc/30/73/12/181307312.db2.gz NUKKWQZLGYBFPM-MRVPVSSYSA-N 1 0 221.260 0.311 10 0 BCAERO NC(=O)c1ccnc(NC2CC[NH2+]CC2)c1 ZINC000037116599 181307541 /nfs/dbraw/zinc/30/75/41/181307541.db2.gz LGRCECIOSGUXDL-UHFFFAOYSA-N 1 0 220.276 0.344 10 0 BCAERO C[C@@H]1C[NH2+]CC/C1=C\CS(C)(=O)=O ZINC000379345481 360717380 /nfs/dbraw/zinc/71/73/80/360717380.db2.gz CJJZOZVNWLYAMH-SXPLAPADSA-N 1 0 203.307 0.587 10 0 BCAERO NC(=O)c1ccnc(OCC[C@@H]2CCC[NH2+]C2)c1 ZINC000051918616 181307571 /nfs/dbraw/zinc/30/75/71/181307571.db2.gz ARTBKFPGVLWHHT-JTQLQIEISA-N 1 0 249.314 0.949 10 0 BCAERO NC(=O)c1cccnc1N[C@H]1CC[N@@H+]2CCC[C@H]12 ZINC000049569113 181307830 /nfs/dbraw/zinc/30/78/30/181307830.db2.gz PJHOTSCKZPAUKA-WDEREUQCSA-N 1 0 246.314 0.829 10 0 BCAERO COc1ccc([C@@H](O)C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000169676071 360856776 /nfs/dbraw/zinc/85/67/76/360856776.db2.gz GELSQVGWXKGRHL-YPMHNXCESA-N 1 0 237.299 0.795 10 0 BCAERO Cc1n[nH]cc1[C@H](C)[NH2+][C@@H]1CCCNC1=O ZINC000309575370 491152056 /nfs/dbraw/zinc/15/20/56/491152056.db2.gz OTPPIWXQPDTDBL-OIBJUYFYSA-N 1 0 222.292 0.647 10 0 BCAERO C[C@@H](NCC(F)(F)CO)[C@H]1CCC[NH2+]C1 ZINC000578979267 366684545 /nfs/dbraw/zinc/68/45/45/366684545.db2.gz XVJAHOAQHDKJHW-BDAKNGLRSA-N 1 0 222.279 0.592 10 0 BCAERO C[C@@H]1CSCCN(C(=O)/C=C\C[NH3+])C1 ZINC000379551868 361080353 /nfs/dbraw/zinc/08/03/53/361080353.db2.gz RQZGWDZRZLDPME-XADBCAIWSA-N 1 0 214.334 0.713 10 0 BCAERO [NH3+]C1(C(=O)N2CCN3CCCC[C@@H]3C2)CCC1 ZINC000147917321 181324438 /nfs/dbraw/zinc/32/44/38/181324438.db2.gz CLEJJSWYEMLGPX-LLVKDONJSA-N 1 0 237.347 0.565 10 0 BCAERO [NH3+]C1(C(=O)NCc2ccccc2)CCOCC1 ZINC000127699561 181328047 /nfs/dbraw/zinc/32/80/47/181328047.db2.gz NFTOIZONSIYFLW-UHFFFAOYSA-N 1 0 234.299 0.811 10 0 BCAERO [NH3+]C1(C(=O)N[C@H]2CCCC[C@H]2O)CCCC1 ZINC000052009971 181328108 /nfs/dbraw/zinc/32/81/08/181328108.db2.gz JRKMGASNBSWFDF-VHSXEESVSA-N 1 0 226.320 0.678 10 0 BCAERO O=C(N1CC[C@@H]2OCC[NH2+][C@@H]2C1)C(F)(F)F ZINC000403993399 361301954 /nfs/dbraw/zinc/30/19/54/361301954.db2.gz FGXPFUCYIAZFGB-RQJHMYQMSA-N 1 0 238.209 0.138 10 0 BCAERO [NH3+]C1(C(=O)N[C@H]2CCCOC2)CCCCC1 ZINC000071023642 181328317 /nfs/dbraw/zinc/32/83/17/181328317.db2.gz AYAKEGAHZHVXSV-JTQLQIEISA-N 1 0 226.320 0.943 10 0 BCAERO [NH3+]C1(C(=O)N[C@H]2CCC(=O)NC2)CCCCC1 ZINC000111021210 181327891 /nfs/dbraw/zinc/32/78/91/181327891.db2.gz IXBVEBJUBIGMTE-VIFPVBQESA-N 1 0 239.319 0.043 10 0 BCAERO O=C(NC1CC[NH2+]CC1)[C@@H]1CCSC1 ZINC000069986513 361322247 /nfs/dbraw/zinc/32/22/47/361322247.db2.gz AUBKRBUCYKPLBG-MRVPVSSYSA-N 1 0 214.334 0.608 10 0 BCAERO O=C(N[C@H]1CCC[NH2+]C1)[C@@H]1CCSC1 ZINC000069986967 361322581 /nfs/dbraw/zinc/32/25/81/361322581.db2.gz OZORNNODKSGZFV-BDAKNGLRSA-N 1 0 214.334 0.608 10 0 BCAERO C[C@H]1C[NH2+]CC[C@@H]1N1CCS(=O)CC1 ZINC000070045878 361383242 /nfs/dbraw/zinc/38/32/42/361383242.db2.gz QHXRCNJRZNNDDS-UWVGGRQHSA-N 1 0 216.350 0.049 10 0 BCAERO COc1cccc([C@H](CO)[NH2+]CCCO)c1 ZINC000309915052 491158208 /nfs/dbraw/zinc/15/82/08/491158208.db2.gz OUKVTPABXDGAAN-LBPRGKRZSA-N 1 0 225.288 0.701 10 0 BCAERO CCc1nnc(C[NH2+][C@H]2CCOC[C@@H]2C)n1C ZINC000433171547 201162892 /nfs/dbraw/zinc/16/28/92/201162892.db2.gz DWSXCUCVYFEWKT-UWVGGRQHSA-N 1 0 238.335 0.892 10 0 BCAERO CC[NH2+]C[C@H]1C[C@@]12CCCS(=O)(=O)C2 ZINC000070079204 361451863 /nfs/dbraw/zinc/45/18/63/361451863.db2.gz DRVHFHUVWBAWIO-NXEZZACHSA-N 1 0 217.334 0.811 10 0 BCAERO C[C@H]1CCSCCN1[C@@H](C[NH3+])CO ZINC000306636897 361452823 /nfs/dbraw/zinc/45/28/23/361452823.db2.gz MAQUOQWIJQFKPF-IUCAKERBSA-N 1 0 204.339 0.133 10 0 BCAERO O[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCOC[C@H]1O ZINC000629609333 361497095 /nfs/dbraw/zinc/49/70/95/361497095.db2.gz WYRLAONKAGTNBO-LMLFDSFASA-N 1 0 215.293 0.029 10 0 BCAERO CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H]1CCC[C@H](O)C1 ZINC000037001077 361591775 /nfs/dbraw/zinc/59/17/75/361591775.db2.gz YYYIZSYPWICBRL-VLEAKVRGSA-N 1 0 228.336 0.780 10 0 BCAERO CO[C@@H]1C[NH2+][C@](C)(c2nc(-c3ncc[nH]3)no2)C1 ZINC000629679949 361601442 /nfs/dbraw/zinc/60/14/42/361601442.db2.gz BVYUGFCBNUSZIN-CPCISQLKSA-N 1 0 249.274 0.683 10 0 BCAERO CO[C@H]1C[NH2+][C@@](C)(c2nc(-c3ncc[nH]3)no2)C1 ZINC000629679951 361601926 /nfs/dbraw/zinc/60/19/26/361601926.db2.gz BVYUGFCBNUSZIN-RDDDGLTNSA-N 1 0 249.274 0.683 10 0 BCAERO [NH3+]C1CC(NS(=O)(=O)CC2CCCCC2)C1 ZINC000042520788 181340304 /nfs/dbraw/zinc/34/03/04/181340304.db2.gz WGHUBZQXZCCPJC-UHFFFAOYSA-N 1 0 246.376 0.976 10 0 BCAERO [NH3+]C1CCC(C(=O)N2CCCC[C@H]2CO)CC1 ZINC000037626349 181340717 /nfs/dbraw/zinc/34/07/17/181340717.db2.gz SDQMBUJWQDBFRB-MCIGGMRASA-N 1 0 240.347 0.877 10 0 BCAERO [NH3+]C1CCC(N2C(=O)c3cccnc3C2=O)CC1 ZINC000037974411 181341804 /nfs/dbraw/zinc/34/18/04/181341804.db2.gz OHUZJNVTCQSRKK-UHFFFAOYSA-N 1 0 245.282 0.948 10 0 BCAERO [NH3+]C1CCC(NC(=O)c2cn[nH]c2)CC1 ZINC000051694959 181341800 /nfs/dbraw/zinc/34/18/00/181341800.db2.gz YWLDBILZWYSDNR-UHFFFAOYSA-N 1 0 208.265 0.409 10 0 BCAERO CC1(C)CC[C@@H]([NH3+])[C@H](S(C)(=O)=O)C1 ZINC000070623301 361666745 /nfs/dbraw/zinc/66/67/45/361666745.db2.gz INVDPEGLGIFOCU-HTQZYQBOSA-N 1 0 205.323 0.937 10 0 BCAERO [NH3+]C1CCN(C(=O)c2ccc3nncn3c2)CC1 ZINC000229015818 181343814 /nfs/dbraw/zinc/34/38/14/181343814.db2.gz QQBKUHVYDXPRTF-UHFFFAOYSA-N 1 0 245.286 0.293 10 0 BCAERO [NH3+]C1CCN(CCO[C@H]2CCCCO2)CC1 ZINC000042188296 181343501 /nfs/dbraw/zinc/34/35/01/181343501.db2.gz YTPPVOQLAJBVFA-LBPRGKRZSA-N 1 0 228.336 0.953 10 0 BCAERO [NH3+]C1CCN(C(=O)CCn2cccn2)CC1 ZINC000036753566 181343867 /nfs/dbraw/zinc/34/38/67/181343867.db2.gz JFXOEWGOHHKTQK-UHFFFAOYSA-N 1 0 222.292 0.223 10 0 BCAERO [NH3+]C1CCN([C@H]2CCCCNC2=O)CC1 ZINC000019811502 181344687 /nfs/dbraw/zinc/34/46/87/181344687.db2.gz URGZENBIVUIEKK-JTQLQIEISA-N 1 0 211.309 0.078 10 0 BCAERO C[C@@H](O)[C@@H]([NH3+])CNc1ccc(Cl)nn1 ZINC000070648196 361695380 /nfs/dbraw/zinc/69/53/80/361695380.db2.gz ZLJGBUKVWPNLAQ-RITPCOANSA-N 1 0 216.672 0.250 10 0 BCAERO C(SC1CCOCC1)[C@H]1C[NH2+]CCO1 ZINC000070649864 361695645 /nfs/dbraw/zinc/69/56/45/361695645.db2.gz JDHHJLBZCWSXRK-SECBINFHSA-N 1 0 217.334 0.887 10 0 BCAERO NC(=S)[C@@H]1CCC[N@@H+]1C[C@@H]1CCCO1 ZINC000070661987 361700491 /nfs/dbraw/zinc/70/04/91/361700491.db2.gz AYPOIBOOWQYHDM-IUCAKERBSA-N 1 0 214.334 0.916 10 0 BCAERO Cc1ccc(C[NH2+][C@H]2CCC(=O)NC2)cn1 ZINC000155815821 201352625 /nfs/dbraw/zinc/35/26/25/201352625.db2.gz AGHIFSPCOGBAAR-NSHDSACASA-N 1 0 219.288 0.758 10 0 BCAERO [NH3+]CC(=O)N(C[C@@H]1CCCO1)[C@H]1CCSC1 ZINC000037810598 181348834 /nfs/dbraw/zinc/34/88/34/181348834.db2.gz SBKZOFHSRBAAKM-UWVGGRQHSA-N 1 0 244.360 0.458 10 0 BCAERO [NH3+]CC(=O)NC1C2CC3CC(C2)CC1C3 ZINC000034993845 181351045 /nfs/dbraw/zinc/35/10/45/181351045.db2.gz WTAFRPKCOQMNSA-UHFFFAOYSA-N 1 0 208.305 0.886 10 0 BCAERO C[C@@H]1[C@@H]2C[NH2+]C[C@H]2CN1c1nncs1 ZINC000252554141 363893194 /nfs/dbraw/zinc/89/31/94/363893194.db2.gz GUDITPNPCFLJEE-CSMHCCOUSA-N 1 0 210.306 0.582 10 0 BCAERO CCCc1nccn1CC[C@H]([NH3+])C(N)=O ZINC000069964626 541307657 /nfs/dbraw/zinc/30/76/57/541307657.db2.gz FTFORLORAMQENJ-QMMMGPOBSA-N 1 0 210.281 0.038 10 0 BCAERO C[C@@H]1COC[C@H]([C@H]2COC(C)(C)C2=O)[NH2+]1 ZINC000306323436 541312804 /nfs/dbraw/zinc/31/28/04/541312804.db2.gz MJLCERORSAYSIN-IWSPIJDZSA-N 1 0 213.277 0.357 10 0 BCAERO Cc1nnsc1[C@@H](O)C(C)(C)C[NH3+] ZINC000306643371 541313735 /nfs/dbraw/zinc/31/37/35/541313735.db2.gz WKZBTHACMSNXLT-SSDOTTSWSA-N 1 0 201.295 0.865 10 0 BCAERO C(O[C@H]1CCCOC1)[C@H]1C[NH2+]CCO1 ZINC000224925853 363953480 /nfs/dbraw/zinc/95/34/80/363953480.db2.gz RKMVLRYGIIFZQD-VHSXEESVSA-N 1 0 201.266 0.170 10 0 BCAERO [NH3+]CC(=O)NCc1ccc(O)c(Cl)c1 ZINC000083348060 181354046 /nfs/dbraw/zinc/35/40/46/181354046.db2.gz GDQDZUUAAVYPNB-UHFFFAOYSA-N 1 0 214.652 0.621 10 0 BCAERO CO[C@H]1CN(Cc2cncn2C)[C@](C)(C[NH3+])C1 ZINC000630359180 364076005 /nfs/dbraw/zinc/07/60/05/364076005.db2.gz BZFVYSSBTGKBRB-NEPJUHHUSA-N 1 0 238.335 0.358 10 0 BCAERO N[C@H](C[NH+]1CCCCC1)c1ncccn1 ZINC000725255128 541332315 /nfs/dbraw/zinc/33/23/15/541332315.db2.gz SZCRWDGTSRUZSO-SNVBAGLBSA-N 1 0 206.293 0.962 10 0 BCAERO CO[C@H]1CN(C(=O)c2ccon2)[C@](C)(C[NH3+])C1 ZINC000630359906 364080297 /nfs/dbraw/zinc/08/02/97/364080297.db2.gz NTKYYEQFTCVDQX-KCJUWKMLSA-N 1 0 239.275 0.253 10 0 BCAERO CO[C@@H]1CN(C(=O)C2CCC2)[C@@](C)(C[NH3+])C1 ZINC000630359829 364080975 /nfs/dbraw/zinc/08/09/75/364080975.db2.gz HFJYSPDTIYGFEO-CMPLNLGQSA-N 1 0 226.320 0.751 10 0 BCAERO CCOCCCN1C[C@@H](OC)C[C@]1(C)C[NH3+] ZINC000630361268 364081082 /nfs/dbraw/zinc/08/10/82/364081082.db2.gz IMASVPYNUWXRAV-NWDGAFQWSA-N 1 0 230.352 0.851 10 0 BCAERO [NH3+]CC(=O)Nc1ccc(-n2cccn2)nc1 ZINC000037026489 181355098 /nfs/dbraw/zinc/35/50/98/181355098.db2.gz VSLSXPOHBFVYLT-UHFFFAOYSA-N 1 0 217.232 0.165 10 0 BCAERO CO[C@@H]1CN(Cc2ncc(C)o2)[C@@](C)(C[NH3+])C1 ZINC000630362796 364082386 /nfs/dbraw/zinc/08/23/86/364082386.db2.gz BSJVGRZXCHUHOR-CMPLNLGQSA-N 1 0 239.319 0.921 10 0 BCAERO CCOc1ccc([C@](C)([NH3+])C(N)=O)cc1 ZINC000037460020 364046400 /nfs/dbraw/zinc/04/64/00/364046400.db2.gz FQOGKSIJNNSVSU-NSHDSACASA-N 1 0 208.261 0.745 10 0 BCAERO CO[C@H]1CN(Cc2ccon2)[C@@](C)(C[NH3+])C1 ZINC000630362554 364082679 /nfs/dbraw/zinc/08/26/79/364082679.db2.gz OBNUGYWRHNRPJY-GHMZBOCLSA-N 1 0 225.292 0.613 10 0 BCAERO CO[C@@H]1CN(C(=O)c2ccco2)[C@@](C)(C[NH3+])C1 ZINC000630364822 364083319 /nfs/dbraw/zinc/08/33/19/364083319.db2.gz WEEWFWRLYRHGGY-JOYOIKCWSA-N 1 0 238.287 0.858 10 0 BCAERO CCCCNC(=O)N1C[C@H](OC)C[C@@]1(C)C[NH3+] ZINC000630365548 364083369 /nfs/dbraw/zinc/08/33/69/364083369.db2.gz IQPNJXHQBBOYOE-PWSUYJOCSA-N 1 0 243.351 0.934 10 0 BCAERO CC[C@H](C)C(=O)N1C[C@@H](OC)C[C@@]1(C)C[NH3+] ZINC000630366441 364086203 /nfs/dbraw/zinc/08/62/03/364086203.db2.gz KMDAZUVRLGBZHL-NHCYSSNCSA-N 1 0 228.336 0.997 10 0 BCAERO CO[C@H]1CN(C(=O)C2CC(C)C2)[C@](C)(C[NH3+])C1 ZINC000630370877 364088084 /nfs/dbraw/zinc/08/80/84/364088084.db2.gz HPFUTHDYSMUOQY-KMFOADKKSA-N 1 0 240.347 0.997 10 0 BCAERO CO[C@@H]1CN(C(=O)c2ccccn2)[C@@](C)(C[NH3+])C1 ZINC000630372173 364089174 /nfs/dbraw/zinc/08/91/74/364089174.db2.gz PQQGLBIVMUURMX-GXFFZTMASA-N 1 0 249.314 0.660 10 0 BCAERO [NH3+]CC(=O)Nc1cccc(-n2cnnc2)c1 ZINC000037020628 181355828 /nfs/dbraw/zinc/35/58/28/181355828.db2.gz NKSRTCTYFOJKRR-UHFFFAOYSA-N 1 0 217.232 0.165 10 0 BCAERO [NH3+]CC1(C(=O)N2CCC[C@@H]2CO)CCCC1 ZINC000044763222 181357692 /nfs/dbraw/zinc/35/76/92/181357692.db2.gz CIXPFUSINMPYCB-SNVBAGLBSA-N 1 0 226.320 0.489 10 0 BCAERO COc1cccnc1NC[C@@H]1C[NH2+]C[C@H]1O ZINC000630514108 364198831 /nfs/dbraw/zinc/19/88/31/364198831.db2.gz VDEKPCMKGBSPJE-DTWKUNHWSA-N 1 0 223.276 0.082 10 0 BCAERO CN(CCOCC[NH3+])c1cn[nH]c(=O)c1Cl ZINC000630538593 364234822 /nfs/dbraw/zinc/23/48/22/364234822.db2.gz BDGGGUJCCPRUPZ-UHFFFAOYSA-N 1 0 246.698 0.247 10 0 BCAERO C[C@@H]1[NH2+]CC[C@H]1Nc1ccc2nccnc2n1 ZINC000630545999 364241006 /nfs/dbraw/zinc/24/10/06/364241006.db2.gz NUZVYBKYAIBMJT-DTWKUNHWSA-N 1 0 229.287 0.561 10 0 BCAERO C[C@H]1CN(c2ncnc3c2cnn3C)C[C@H]1C[NH3+] ZINC000630576265 364275096 /nfs/dbraw/zinc/27/50/96/364275096.db2.gz XWTNLJBYVKZSAK-DTWKUNHWSA-N 1 0 246.318 0.394 10 0 BCAERO Cc1nccc(N2C[C@@H](C)[C@@H](C[NH3+])C2)n1 ZINC000630552385 364246687 /nfs/dbraw/zinc/24/66/87/364246687.db2.gz FAIUQBZKGXAFEQ-SCZZXKLOSA-N 1 0 206.293 0.816 10 0 BCAERO COc1cc(C)nc(N2C[C@H](C)[C@@H](C[NH3+])C2)n1 ZINC000630553696 364248908 /nfs/dbraw/zinc/24/89/08/364248908.db2.gz KZKHJZDIJDKBQS-WPRPVWTQSA-N 1 0 236.319 0.825 10 0 BCAERO Cc1nsc(N2C[C@@H](C)[C@@H](C[NH3+])C2)n1 ZINC000630553873 364249139 /nfs/dbraw/zinc/24/91/39/364249139.db2.gz MEDFDPJNSMMFCY-SVRRBLITSA-N 1 0 212.322 0.878 10 0 BCAERO Cc1nnc2c(N3C[C@H](C)[C@@H](C[NH3+])C3)nccn12 ZINC000630554671 364250482 /nfs/dbraw/zinc/25/04/82/364250482.db2.gz QWSLKASBNBOCNC-WPRPVWTQSA-N 1 0 246.318 0.464 10 0 BCAERO Cc1noc2ncnc(N3C[C@@H]([NH3+])C[C@H]3C)c12 ZINC000630556778 364257562 /nfs/dbraw/zinc/25/75/62/364257562.db2.gz CZHPHPKQLZBDKJ-SVRRBLITSA-N 1 0 233.275 0.852 10 0 BCAERO Cc1cc(N2C[C@@H](C[NH3+])[C@H](C)C2)n2ncnc2n1 ZINC000630570903 364266148 /nfs/dbraw/zinc/26/61/48/364266148.db2.gz MLNJAHCYKREGLD-PSASIEDQSA-N 1 0 246.318 0.464 10 0 BCAERO Cc1cc(N2C[C@H](C)[C@@H](C[NH3+])C2)n2ncnc2n1 ZINC000630570906 364266205 /nfs/dbraw/zinc/26/62/05/364266205.db2.gz MLNJAHCYKREGLD-WPRPVWTQSA-N 1 0 246.318 0.464 10 0 BCAERO Cc1cc(N[C@H]2CC[C@H](C)[NH2+]C2)n2ncnc2n1 ZINC000630534695 364228015 /nfs/dbraw/zinc/22/80/15/364228015.db2.gz OLOUTUFXIIKJPI-WPRPVWTQSA-N 1 0 246.318 0.985 10 0 BCAERO Cc1cc(N[C@@H]2CC[C@H](C)[NH2+]C2)n2ncnc2n1 ZINC000630534694 364228795 /nfs/dbraw/zinc/22/87/95/364228795.db2.gz OLOUTUFXIIKJPI-WCBMZHEXSA-N 1 0 246.318 0.985 10 0 BCAERO C[C@H]1CC[C@H](Nc2ncnc3nc[nH]c32)C[NH2+]1 ZINC000630535334 364229654 /nfs/dbraw/zinc/22/96/54/364229654.db2.gz TYPJZIKKFFPXQF-YUMQZZPRSA-N 1 0 232.291 0.905 10 0 BCAERO Cc1c(CN[C@@H]2CC[C@@H](C)[NH2+]C2)cnn1C ZINC000398955995 364278644 /nfs/dbraw/zinc/27/86/44/364278644.db2.gz IEWIYHHZEUEJKX-BXKDBHETSA-N 1 0 222.336 0.959 10 0 BCAERO CC(C)CNC(=O)C[NH2+][C@H]1CCO[C@@H]1C ZINC000134547808 364406542 /nfs/dbraw/zinc/40/65/42/364406542.db2.gz BBWJQWMKBQKWGF-ZJUUUORDSA-N 1 0 214.309 0.526 10 0 BCAERO C[C@H](CC[NH3+])Nc1ncnc2nc[nH]c21 ZINC000134269792 364396598 /nfs/dbraw/zinc/39/65/98/364396598.db2.gz YZAAXVFOLVCAAT-ZCFIWIBFSA-N 1 0 206.253 0.502 10 0 BCAERO C[C@H](CC[NH3+])Nc1ccnc(C(N)=O)c1 ZINC000134269844 364396793 /nfs/dbraw/zinc/39/67/93/364396793.db2.gz HGEAMBLGYFBURC-SSDOTTSWSA-N 1 0 208.265 0.330 10 0 BCAERO CCNC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000136082949 364455900 /nfs/dbraw/zinc/45/59/00/364455900.db2.gz SQENBRBCFMUACO-JTQLQIEISA-N 1 0 211.309 0.886 10 0 BCAERO CCOCCOCC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170855511 364531417 /nfs/dbraw/zinc/53/14/17/364531417.db2.gz HXGSVGMJVFGMHZ-NSHDSACASA-N 1 0 244.335 0.202 10 0 BCAERO COCCCCC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170864227 364544707 /nfs/dbraw/zinc/54/47/07/364544707.db2.gz PUPAYTFAPFHHFX-NSHDSACASA-N 1 0 228.336 0.966 10 0 BCAERO Cc1nccc(C(=O)N2CC[C@@H]([NH+](C)C)C2)n1 ZINC000170865140 364546233 /nfs/dbraw/zinc/54/62/33/364546233.db2.gz PMADIIQXPHTJAT-SNVBAGLBSA-N 1 0 234.303 0.561 10 0 BCAERO CCOC(=O)[C@@H](C)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000247005814 364617588 /nfs/dbraw/zinc/61/75/88/364617588.db2.gz BSSBVOCXPMPIMX-MNOVXSKESA-N 1 0 226.320 0.718 10 0 BCAERO [NH3+]CCC(=O)Nc1ccc2c(c1)CCC(=O)N2 ZINC000037002731 181369233 /nfs/dbraw/zinc/36/92/33/181369233.db2.gz OWIFDKIFICFKBD-UHFFFAOYSA-N 1 0 233.271 0.859 10 0 BCAERO [NH3+]CCC(=O)Nc1ccc(-n2cncn2)c(F)c1 ZINC000037771244 181368901 /nfs/dbraw/zinc/36/89/01/181368901.db2.gz OFPUHWOYTJSJRY-UHFFFAOYSA-N 1 0 249.249 0.694 10 0 BCAERO COC(=O)[C@H]1CCC[N@@H+]([C@@H]2CCC[C@H]2O)C1 ZINC000252701290 364671626 /nfs/dbraw/zinc/67/16/26/364671626.db2.gz CRTMQZPINHLYKK-HBNTYKKESA-N 1 0 227.304 0.785 10 0 BCAERO C[C@H](O)CC[N@H+](C)C[C@H]1CN(C)CCO1 ZINC000253200594 364685393 /nfs/dbraw/zinc/68/53/93/364685393.db2.gz XELPBXCBVHNJHW-QWRGUYRKSA-N 1 0 216.325 0.020 10 0 BCAERO C[C@@H](NC(=O)[C@H]1CCCO1)[C@H]1CCC[NH2+]C1 ZINC000166381225 364787115 /nfs/dbraw/zinc/78/71/15/364787115.db2.gz QSJIJVVPIPHYTP-OUAUKWLOSA-N 1 0 226.320 0.670 10 0 BCAERO CCc1nnc(CN2CC[C@@H]([NH3+])C[C@@H]2C)n1C ZINC000573503530 364850007 /nfs/dbraw/zinc/85/00/07/364850007.db2.gz XZXLXXHVYCUFEM-VHSXEESVSA-N 1 0 237.351 0.689 10 0 BCAERO CN(CCC[NH3+])c1cnn(C)c(=O)c1Cl ZINC000167926501 364823496 /nfs/dbraw/zinc/82/34/96/364823496.db2.gz YAPPWTWOQPDGAX-UHFFFAOYSA-N 1 0 230.699 0.219 10 0 BCAERO CCN1CCO[C@H](C[NH2+]C2CCC(O)CC2)C1 ZINC000233517031 541384793 /nfs/dbraw/zinc/38/47/93/541384793.db2.gz FCYNODKXKZFPOF-WXRRBKDZSA-N 1 0 242.363 0.600 10 0 BCAERO CCC1(O)CCN(C(=O)[C@H]2CC[C@H]([NH3+])C2)CC1 ZINC000573737627 364906236 /nfs/dbraw/zinc/90/62/36/364906236.db2.gz YEDWCECGMZSGLG-QWRGUYRKSA-N 1 0 240.347 0.877 10 0 BCAERO [NH3+]CCCCCCC(=O)N1CCC(O)CC1 ZINC000019471622 181374364 /nfs/dbraw/zinc/37/43/64/181374364.db2.gz LILRAYRQKISJLG-UHFFFAOYSA-N 1 0 228.336 0.879 10 0 BCAERO [NH3+]CCCCCNC(=O)[C@@H]1CCCO1 ZINC000070626772 181374671 /nfs/dbraw/zinc/37/46/71/181374671.db2.gz LVFPVZAPXFDROZ-VIFPVBQESA-N 1 0 200.282 0.411 10 0 BCAERO [NH3+]CCCCCNC(=O)[C@H]1CCCO1 ZINC000070626771 181374778 /nfs/dbraw/zinc/37/47/78/181374778.db2.gz LVFPVZAPXFDROZ-SECBINFHSA-N 1 0 200.282 0.411 10 0 BCAERO c1csc([C@H]2CCNC3=[NH+]CCN32)n1 ZINC000232480734 541417788 /nfs/dbraw/zinc/41/77/88/541417788.db2.gz YMAFVPHWKBAFJZ-SSDOTTSWSA-N 1 0 208.290 0.849 10 0 BCAERO [NH3+]CCCCNC(=O)CCOC[C@@H]1CCCO1 ZINC000181036876 181376299 /nfs/dbraw/zinc/37/62/99/181376299.db2.gz RNOXQKRHWZZJRH-NSHDSACASA-N 1 0 244.335 0.427 10 0 BCAERO NC(=O)c1ccccc1OCCCC[NH3+] ZINC000019385941 181378269 /nfs/dbraw/zinc/37/82/69/181378269.db2.gz UNYKNRLNKKBUQM-UHFFFAOYSA-N 1 0 208.261 0.903 10 0 BCAERO CCC[C@@H](C)C(=O)N[C@@]1(CO)CCC[NH2+]C1 ZINC000669385002 541438568 /nfs/dbraw/zinc/43/85/68/541438568.db2.gz RYMUPLYISYIFLB-PWSUYJOCSA-N 1 0 228.336 0.653 10 0 BCAERO [NH3+]CCCN1C(=O)c2cccnc2C1=O ZINC000051355132 181379416 /nfs/dbraw/zinc/37/94/16/181379416.db2.gz RNQTWTMZDZUWDH-UHFFFAOYSA-N 1 0 205.217 0.026 10 0 BCAERO C[C@H]1C[C@H](c2cnn(CCO)c2N)CC[NH2+]1 ZINC000675053901 541433377 /nfs/dbraw/zinc/43/33/77/541433377.db2.gz AJOJSJVJORPYFN-DTWKUNHWSA-N 1 0 224.308 0.313 10 0 BCAERO CCC[C@H](C)C(=O)N1CCC[C@]([NH3+])(CO)C1 ZINC000669384869 541438341 /nfs/dbraw/zinc/43/83/41/541438341.db2.gz KPDRJYYICXFPPG-CMPLNLGQSA-N 1 0 228.336 0.735 10 0 BCAERO C[C@@H]1CC(NC(=O)[C@@H]2CC[NH2+]C2)C[C@@H](C)O1 ZINC000574403272 365050032 /nfs/dbraw/zinc/05/00/32/365050032.db2.gz BMVNICFFDFTHPI-OPRDCNLKSA-N 1 0 226.320 0.668 10 0 BCAERO [NH3+]CCCS(=O)(=O)N1CCCSCC1 ZINC000042444580 181384683 /nfs/dbraw/zinc/38/46/83/181384683.db2.gz MSZODSRQFCQODO-UHFFFAOYSA-N 1 0 238.378 0.104 10 0 BCAERO [NH3+]CCN1CCO[C@H](c2ccncc2)C1 ZINC000019729989 181391558 /nfs/dbraw/zinc/39/15/58/181391558.db2.gz OEUXJYPWVCGAJX-NSHDSACASA-N 1 0 207.277 0.414 10 0 BCAERO [NH3+]CCCc1nc(-c2ccccn2)n[nH]1 ZINC000061844158 181387022 /nfs/dbraw/zinc/38/70/22/181387022.db2.gz BHXSUKKAQITCEQ-UHFFFAOYSA-N 1 0 203.249 0.758 10 0 BCAERO [NH3+]CCCc1nc(Br)no1 ZINC000082379238 181387519 /nfs/dbraw/zinc/38/75/19/181387519.db2.gz HMJONJOYXZHIDT-UHFFFAOYSA-N 1 0 206.043 0.723 10 0 BCAERO [NH3+]CCCc1nnc([C@H]2CCCOC2)o1 ZINC000062243770 181388078 /nfs/dbraw/zinc/38/80/78/181388078.db2.gz UCSKKYOVCSELAB-QMMMGPOBSA-N 1 0 211.265 0.855 10 0 BCAERO CC1CC(C(=O)N2CCCO[C@@H](C[NH3+])C2)C1 ZINC000574276292 365026290 /nfs/dbraw/zinc/02/62/90/365026290.db2.gz TVPUBHBABNSGAU-ILDUYXDCSA-N 1 0 226.320 0.609 10 0 BCAERO [NH3+]CCN(C(=O)[C@@H]1CCCOC1)C1CC1 ZINC000062192465 181390813 /nfs/dbraw/zinc/39/08/13/181390813.db2.gz HHTRYEPLNANLAO-SECBINFHSA-N 1 0 212.293 0.363 10 0 BCAERO [NH3+]CCN(C1CCCC1)[C@@H]1CCCCNC1=O ZINC000070975464 181390848 /nfs/dbraw/zinc/39/08/48/181390848.db2.gz ALOGIILICPQKKU-GFCCVEGCSA-N 1 0 239.363 0.858 10 0 BCAERO [NH3+]CCNC(=O)c1ccc2[nH]cnc2c1 ZINC000037902457 181395323 /nfs/dbraw/zinc/39/53/23/181395323.db2.gz IUNRZZFCIHLEKA-UHFFFAOYSA-N 1 0 204.233 0.251 10 0 BCAERO CCO[C@@H]1C[C@@H]([NH2+]CC(C)(C)O)[C@@H]1OC ZINC000169206535 365099121 /nfs/dbraw/zinc/09/91/21/365099121.db2.gz MRYYJYYDUJAMKO-BBBLOLIVSA-N 1 0 217.309 0.539 10 0 BCAERO NCC[NH2+]C1CCC2(CC1)OCCO2 ZINC000037712546 181396829 /nfs/dbraw/zinc/39/68/29/181396829.db2.gz BLNOJCOVBLYTNG-UHFFFAOYSA-N 1 0 200.282 0.220 10 0 BCAERO NC(=O)c1ccc(Cl)cc1OCC[NH3+] ZINC000062786584 181399224 /nfs/dbraw/zinc/39/92/24/181399224.db2.gz CPJDKHQVMIVKMZ-UHFFFAOYSA-N 1 0 214.652 0.776 10 0 BCAERO [NH3+]CCOCCS(=O)(=O)Cc1ccccc1 ZINC000058255508 181399656 /nfs/dbraw/zinc/39/96/56/181399656.db2.gz IXLPDHLAXHJMOM-UHFFFAOYSA-N 1 0 243.328 0.577 10 0 BCAERO [NH3+]CCSCc1cc(=O)n2ccccc2n1 ZINC000037035821 181401447 /nfs/dbraw/zinc/40/14/47/181401447.db2.gz JRGKXTZYQOKWKL-UHFFFAOYSA-N 1 0 235.312 0.886 10 0 BCAERO [NH3+]CC[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000035688516 181407369 /nfs/dbraw/zinc/40/73/69/181407369.db2.gz IVOXPNTYFQZMCX-MRVPVSSYSA-N 1 0 211.286 0.906 10 0 BCAERO COC[C@H](C)CNC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000172492659 365329604 /nfs/dbraw/zinc/32/96/04/365329604.db2.gz PDCZVKPUZMPFRY-MNOVXSKESA-N 1 0 243.351 0.614 10 0 BCAERO CCn1ncnc1CN1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000379848013 365316772 /nfs/dbraw/zinc/31/67/72/365316772.db2.gz DESKLBZSPIDOGD-GARJFASQSA-N 1 0 235.335 0.467 10 0 BCAERO CN1CCN(c2ncnc3[nH]ccc32)[C@H](C[NH3+])C1 ZINC000575734969 365346346 /nfs/dbraw/zinc/34/63/46/365346346.db2.gz BGVDPEUCYVUDQG-SECBINFHSA-N 1 0 246.318 0.037 10 0 BCAERO CC[C@H]1CN(C(=O)C2CC2)CC[N@@H+]1C[C@@H](C)O ZINC000174626416 365501908 /nfs/dbraw/zinc/50/19/08/365501908.db2.gz VOLGACRHWXWIKL-PWSUYJOCSA-N 1 0 240.347 0.700 10 0 BCAERO C[C@H]1[NH2+]CCC[C@H]1C(=O)NCc1ncccn1 ZINC000579614866 366910139 /nfs/dbraw/zinc/91/01/39/366910139.db2.gz PAIQWAQDWKXRKU-NXEZZACHSA-N 1 0 234.303 0.481 10 0 BCAERO CC[N@@H+]1CCC[C@@H]([C@H](C)S(N)(=O)=O)C1 ZINC000257362916 541481060 /nfs/dbraw/zinc/48/10/60/541481060.db2.gz JRCKPKBLVVJTGE-DTWKUNHWSA-N 1 0 220.338 0.395 10 0 BCAERO CCn1cc(N2C[C@@H]([NH3+])CCC2=O)cn1 ZINC000685947595 541496958 /nfs/dbraw/zinc/49/69/58/541496958.db2.gz MIRQESWKYUTQIO-QMMMGPOBSA-N 1 0 208.265 0.357 10 0 BCAERO c1nnn(C2C[NH2+]C2)c1-c1cccnc1 ZINC000685952021 541497697 /nfs/dbraw/zinc/49/76/97/541497697.db2.gz PKRDSVDFLWTEPK-UHFFFAOYSA-N 1 0 201.233 0.484 10 0 BCAERO c1nnn([C@H]2CC[NH2+]C2)c1-c1cncnc1 ZINC000685951977 541497230 /nfs/dbraw/zinc/49/72/30/541497230.db2.gz NHDGTDWYKJIJHG-VIFPVBQESA-N 1 0 216.248 0.270 10 0 BCAERO CCOC(=O)[C@@H]1Cn2cc[nH+]c2N[C@H]1C ZINC000233991747 541510641 /nfs/dbraw/zinc/51/06/41/541510641.db2.gz JQEJCGQRXBBXDH-JGVFFNPUSA-N 1 0 209.249 0.876 10 0 BCAERO OC[C@@H]1C[C@H]1[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000382192993 541513047 /nfs/dbraw/zinc/51/30/47/541513047.db2.gz CPYKKWVSFHWDSX-WCQYABFASA-N 1 0 224.348 0.831 10 0 BCAERO CC(C)c1nc2n(n1)[C@H]1CC[NH2+]C[C@@H]1CN2 ZINC000232796426 541507974 /nfs/dbraw/zinc/50/79/74/541507974.db2.gz XDZWVFDRFOHXKW-BDAKNGLRSA-N 1 0 221.308 0.978 10 0 BCAERO CC[C@@H]1[C@H](C)CNc2nc(CC[NH3+])nn21 ZINC000233930883 541509935 /nfs/dbraw/zinc/50/99/35/541509935.db2.gz CGXRLCDXDIGMSJ-HTQZYQBOSA-N 1 0 209.297 0.792 10 0 BCAERO [NH3+]C1(CNC(=O)c2nnc[nH]2)CCCCC1 ZINC000381037623 367338509 /nfs/dbraw/zinc/33/85/09/367338509.db2.gz CZRDRVRKPWDVFZ-UHFFFAOYSA-N 1 0 223.280 0.196 10 0 BCAERO COC(C)(C)CN(C)C(=O)[C@@H]1CC[NH2+]C1 ZINC000381549739 367428901 /nfs/dbraw/zinc/42/89/01/367428901.db2.gz MBTQAOLTUDASDA-SECBINFHSA-N 1 0 214.309 0.479 10 0 BCAERO C[C@H]1CN(C(=O)[C@H]2C[C@@H]([NH3+])C2)CCS1 ZINC000581430171 367467987 /nfs/dbraw/zinc/46/79/87/367467987.db2.gz NNOPRUFIDNKFAU-XHNCKOQMSA-N 1 0 214.334 0.688 10 0 BCAERO OC1(C[NH2+][C@H]2CCc3ncnn3C2)CCC1 ZINC000381559948 367430909 /nfs/dbraw/zinc/43/09/09/367430909.db2.gz QTUVCDFPCVEAQI-VIFPVBQESA-N 1 0 222.292 0.098 10 0 BCAERO CCCOCC(=O)N1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC000404035427 325904737 /nfs/dbraw/zinc/90/47/37/325904737.db2.gz YKOBAEMBBQMCOG-MNOVXSKESA-N 1 0 242.319 0.002 10 0 BCAERO OCC(CO)[NH2+]C[C@@H]1CCCCC1(F)F ZINC000381868087 367463979 /nfs/dbraw/zinc/46/39/79/367463979.db2.gz JFRMPWAGHPKXIP-QMMMGPOBSA-N 1 0 223.263 0.755 10 0 BCAERO Cc1cc(N[C@@H]2CC[C@@H](C[NH3+])C2)n2ncnc2n1 ZINC000382456518 367526766 /nfs/dbraw/zinc/52/67/66/367526766.db2.gz JTNCMMSAABTPMK-NXEZZACHSA-N 1 0 246.318 0.972 10 0 BCAERO COC[C@](C)(O)C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000382561650 367539810 /nfs/dbraw/zinc/53/98/10/367539810.db2.gz LJRQQKJZQPWPCH-HNCHTBHHSA-N 1 0 243.347 0.787 10 0 BCAERO CO[C@H]1C[NH2+][C@@H](C(=O)Nc2ccncc2C)C1 ZINC000382309470 367506532 /nfs/dbraw/zinc/50/65/32/367506532.db2.gz GZWAXFMNRIATEZ-MWLCHTKSSA-N 1 0 235.287 0.127 10 0 BCAERO COC(=O)c1ccc(N(C)[C@@H](C)C[NH3+])nc1C ZINC000383017066 367585505 /nfs/dbraw/zinc/58/55/05/367585505.db2.gz JSGFSOCTCCQBGQ-QMMMGPOBSA-N 1 0 237.303 0.960 10 0 BCAERO [NH3+]CC[C@@H](Nc1ncccn1)C(F)F ZINC000383480519 367625654 /nfs/dbraw/zinc/62/56/54/367625654.db2.gz NYSPDJQDVUNBMP-ZCFIWIBFSA-N 1 0 202.208 0.871 10 0 BCAERO [NH3+]CC[C@H](NC(=O)NC1CCC1)C(F)F ZINC000383320194 367611633 /nfs/dbraw/zinc/61/16/33/367611633.db2.gz RPHLWAHGYTXUEJ-ZETCQYMHSA-N 1 0 221.251 0.821 10 0 BCAERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)N[C@H]1CCCC[C@@H]1O ZINC000384251563 367679832 /nfs/dbraw/zinc/67/98/32/367679832.db2.gz MMNGVZZOOMJKRA-USZNOCQGSA-N 1 0 240.347 0.794 10 0 BCAERO COC(=O)CC[N@@H+]1CCC[C@@H](O)[C@@H]1C ZINC000384735230 367723779 /nfs/dbraw/zinc/72/37/79/367723779.db2.gz KPZQGUSMVGKCEQ-DTWKUNHWSA-N 1 0 201.266 0.395 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000055145149 181431470 /nfs/dbraw/zinc/43/14/70/181431470.db2.gz JZCJQCTURUXVRZ-GHMZBOCLSA-N 1 0 226.320 0.610 10 0 BCAERO C[C@@H]1C[C@H]([NH2+]C[C@H]2CN(C)CCO2)[C@@H](C)O1 ZINC000384685255 367716886 /nfs/dbraw/zinc/71/68/86/367716886.db2.gz BJFOTSUENLSQKS-WYUUTHIRSA-N 1 0 228.336 0.473 10 0 BCAERO CC(C)NC(=O)CC[N@@H+]1CCC[C@H](O)[C@@H]1C ZINC000385070819 367782549 /nfs/dbraw/zinc/78/25/49/367782549.db2.gz VRNQWBCLZONWMF-QWRGUYRKSA-N 1 0 228.336 0.746 10 0 BCAERO CCOc1nccnc1N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000581874898 367864681 /nfs/dbraw/zinc/86/46/81/367864681.db2.gz OJTWFLDIZKUVGM-RKDXNWHRSA-N 1 0 222.292 0.659 10 0 BCAERO CCOc1nccnc1N1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000581874895 367864759 /nfs/dbraw/zinc/86/47/59/367864759.db2.gz OJTWFLDIZKUVGM-BDAKNGLRSA-N 1 0 222.292 0.659 10 0 BCAERO COCC1(NC(=O)C[C@@H]2CCC[NH2+]C2)CC1 ZINC000581834022 367838297 /nfs/dbraw/zinc/83/82/97/367838297.db2.gz CRWROHRIEMYKHZ-JTQLQIEISA-N 1 0 226.320 0.671 10 0 BCAERO C[NH2+][C@H](C)C(=O)N(CC(F)F)C1CC1 ZINC000386562121 367992426 /nfs/dbraw/zinc/99/24/26/367992426.db2.gz OEEXFXOJKVQVPI-ZCFIWIBFSA-N 1 0 206.236 0.850 10 0 BCAERO COC(=O)C(C)(C)NC[C@H]1CCC[NH2+]C1 ZINC000087646586 367948448 /nfs/dbraw/zinc/94/84/48/367948448.db2.gz MINQNGYDAFQPML-VIFPVBQESA-N 1 0 214.309 0.527 10 0 BCAERO Cc1cnc(N2CCN(C)C[C@@H]2C[NH3+])nc1C ZINC000386665960 368007227 /nfs/dbraw/zinc/00/72/27/368007227.db2.gz NDRAYMIOMCHIKB-NSHDSACASA-N 1 0 235.335 0.173 10 0 BCAERO C[C@H]([NH3+])C(=O)N[C@@H]1CCCCC[C@@H]1O ZINC000130756680 368142065 /nfs/dbraw/zinc/14/20/65/368142065.db2.gz PRQXTCIOSGDSNL-YIZRAAEISA-N 1 0 200.282 0.143 10 0 BCAERO O=C1OCc2cc(CCN3CC[NH2+]CC3)ccc21 ZINC000113484259 368342223 /nfs/dbraw/zinc/34/22/23/368342223.db2.gz MOVXCAASKHUXNS-UHFFFAOYSA-N 1 0 246.310 0.805 10 0 BCAERO CC[C@@H]1CN([C@H]2C[NH2+]C[C@H]2O)CCS1 ZINC000253073744 368471536 /nfs/dbraw/zinc/47/15/36/368471536.db2.gz PBIXUZOJIXYKRJ-KXUCPTDWSA-N 1 0 216.350 0.147 10 0 BCAERO C[C@@H](C(N)=O)[N@@H+]1CCCCC[C@H]1CO ZINC000253176169 368594248 /nfs/dbraw/zinc/59/42/48/368594248.db2.gz PFNYEUYAEWOADP-IUCAKERBSA-N 1 0 200.282 0.097 10 0 BCAERO C[C@H](CC(N)=S)[N@@H+]1CC[C@@H](O)[C@H](C)C1 ZINC000253196729 368612734 /nfs/dbraw/zinc/61/27/34/368612734.db2.gz RKBXXIFLTXIZFN-IWSPIJDZSA-N 1 0 216.350 0.754 10 0 BCAERO COCC[C@@H](C)NC(=O)C[C@H]1CCC[NH2+]C1 ZINC000081711108 368615478 /nfs/dbraw/zinc/61/54/78/368615478.db2.gz KIKLAYGUMFPIAS-GHMZBOCLSA-N 1 0 228.336 0.917 10 0 BCAERO C[C@@H]([NH3+])CC(=O)Nc1ccnc(Cl)n1 ZINC000161420404 368625619 /nfs/dbraw/zinc/62/56/19/368625619.db2.gz XBFNVQFGIPZUSB-RXMQYKEDSA-N 1 0 214.656 0.806 10 0 BCAERO COC1CCN(C(=O)[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000082559164 368693229 /nfs/dbraw/zinc/69/32/29/368693229.db2.gz CYSPWYMRTBJGLQ-MWLCHTKSSA-N 1 0 226.320 0.479 10 0 BCAERO [NH3+][C@H]1CC[C@@H](C(=O)NCCn2cccn2)C1 ZINC000085012103 368860731 /nfs/dbraw/zinc/86/07/31/368860731.db2.gz ODLYGOXPCKOXOT-ZJUUUORDSA-N 1 0 222.292 0.127 10 0 BCAERO CC[C@@H](CCO)CNC(=O)[C@@]1(C)CCC[NH2+]1 ZINC000087369749 368892423 /nfs/dbraw/zinc/89/24/23/368892423.db2.gz HBXSATIICQDCLI-CMPLNLGQSA-N 1 0 228.336 0.653 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)N2CC[C@H]([NH3+])[C@H](C)C2)O1 ZINC000088142234 368906042 /nfs/dbraw/zinc/90/60/42/368906042.db2.gz TUUSUSXRVVTRFQ-CHWFTXMASA-N 1 0 226.320 0.750 10 0 BCAERO C[NH2+]CCN(C)C(=O)[C@@H]1CC[C@H](C)O1 ZINC000088140573 368906088 /nfs/dbraw/zinc/90/60/88/368906088.db2.gz CIPDPWLMZSSXSU-IUCAKERBSA-N 1 0 200.282 0.232 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)NCCCn1ccnc1 ZINC000111263859 368852794 /nfs/dbraw/zinc/85/27/94/368852794.db2.gz QOORAZHVWTWOAE-GHMZBOCLSA-N 1 0 236.319 0.245 10 0 BCAERO Cc1c[nH]c2c1C(=O)N(CC[NH+](C)C)CC2 ZINC000113224167 368924457 /nfs/dbraw/zinc/92/44/57/368924457.db2.gz RDVCNQGFTGHUPE-UHFFFAOYSA-N 1 0 221.304 0.883 10 0 BCAERO CCOC(=O)[C@@H]1C[NH2+]C[C@]12CCO[C@H]2C ZINC000253313811 368927319 /nfs/dbraw/zinc/92/73/19/368927319.db2.gz XEKMINNZPMEXOO-QXEWZRGKSA-N 1 0 213.277 0.564 10 0 BCAERO Cc1cnc(C[NH2+][C@@H]2CCOC[C@@H]2O)s1 ZINC000623766194 368996803 /nfs/dbraw/zinc/99/68/03/368996803.db2.gz BVJROYFHDLVGCR-BDAKNGLRSA-N 1 0 228.317 0.691 10 0 BCAERO OC[C@@H]1C[C@@H](NCc2ccccc2)C[NH2+]1 ZINC000115595770 369002685 /nfs/dbraw/zinc/00/26/85/369002685.db2.gz CMBBPOVAYOJIOG-NEPJUHHUSA-N 1 0 206.289 0.499 10 0 BCAERO CCc1nn(C)cc1C[NH2+][C@H]1CCOC[C@@H]1O ZINC000623766761 369031830 /nfs/dbraw/zinc/03/18/30/369031830.db2.gz LPXLJHXASHRHRB-RYUDHWBXSA-N 1 0 239.319 0.222 10 0 BCAERO C[NH2+][C@H](C)C(=O)N(C)CCCC(=O)OC ZINC000054075180 369054511 /nfs/dbraw/zinc/05/45/11/369054511.db2.gz BSSIJAMMXJGJKB-MRVPVSSYSA-N 1 0 216.281 0.006 10 0 BCAERO [NH3+]CCN1C[C@@H](c2nc[nH]n2)Nc2ccccc21 ZINC000616693781 369115949 /nfs/dbraw/zinc/11/59/49/369115949.db2.gz ZIMFXBYKXFFVAK-JTQLQIEISA-N 1 0 244.302 0.737 10 0 BCAERO [NH3+]C[C@H]1CCCN1C(=O)c1cnn2ccccc12 ZINC000226279281 181461482 /nfs/dbraw/zinc/46/14/82/181461482.db2.gz NNBHDPAVKHDRMA-SNVBAGLBSA-N 1 0 244.298 0.898 10 0 BCAERO [NH3+]C[C@H]1CCC[C@H]1NC(=O)C1CCOCC1 ZINC000061883820 181462302 /nfs/dbraw/zinc/46/23/02/181462302.db2.gz SETQFIPAWQONDK-GHMZBOCLSA-N 1 0 226.320 0.657 10 0 BCAERO C[NH2+][C@H](C)C(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000055421398 369234157 /nfs/dbraw/zinc/23/41/57/369234157.db2.gz YHNLCGJRCJQLNA-IWSPIJDZSA-N 1 0 200.282 0.230 10 0 BCAERO CC(C)(C)OC(=O)N[C@@H]1CCC[NH2+]C[C@@H]1O ZINC000201408657 369389330 /nfs/dbraw/zinc/38/93/30/369389330.db2.gz DDZJRXASCNCWIF-BDAKNGLRSA-N 1 0 230.308 0.624 10 0 BCAERO COc1ccc(C[NH2+][C@H]2CCOC[C@H]2O)cn1 ZINC000623767023 369344319 /nfs/dbraw/zinc/34/43/19/369344319.db2.gz OXIAHLGBDPYRBB-WDEREUQCSA-N 1 0 238.287 0.330 10 0 BCAERO CC[C@@H]1C[C@H]([NH2+][C@H]2CCOC[C@H]2O)CO1 ZINC000623767335 369376832 /nfs/dbraw/zinc/37/68/32/369376832.db2.gz UICGLWMNDMVTGJ-ZRUFSTJUSA-N 1 0 215.293 0.293 10 0 BCAERO C[C@@H]1C[C@H](NC(=O)[C@@H]2CCC[NH2+][C@@H]2C)CO1 ZINC000402071188 369378559 /nfs/dbraw/zinc/37/85/59/369378559.db2.gz ZOVUVPLLTSHXKA-CHWFTXMASA-N 1 0 226.320 0.668 10 0 BCAERO CC[NH2+]CCCNc1cncc(C(=O)OC)n1 ZINC000091418284 369407686 /nfs/dbraw/zinc/40/76/86/369407686.db2.gz WVXHWVZTEWJAOZ-UHFFFAOYSA-N 1 0 238.291 0.675 10 0 BCAERO c1cnc(N2CC[C@@H]3OCC[NH2+][C@H]3C2)cn1 ZINC000404081403 369419158 /nfs/dbraw/zinc/41/91/58/369419158.db2.gz SMKWZMUPAQQZKG-UWVGGRQHSA-N 1 0 220.276 0.044 10 0 BCAERO c1ncc(CN2CC[C@H]3OCC[NH2+][C@@H]3C2)s1 ZINC000404191251 369422227 /nfs/dbraw/zinc/42/22/27/369422227.db2.gz LEOHHCJFWXPTPK-GHMZBOCLSA-N 1 0 239.344 0.706 10 0 BCAERO COCCCC[N@@H+]1CC[C@H]2OCCN[C@@H]2C1 ZINC000404179471 369422381 /nfs/dbraw/zinc/42/23/81/369422381.db2.gz BNNJRQQLRYGIAC-VXGBXAGGSA-N 1 0 228.336 0.476 10 0 BCAERO COCCCC[N@@H+]1CC[C@H]2OCCN[C@H]2C1 ZINC000404179469 369422404 /nfs/dbraw/zinc/42/24/04/369422404.db2.gz BNNJRQQLRYGIAC-NWDGAFQWSA-N 1 0 228.336 0.476 10 0 BCAERO Cc1cc(CN2CC[C@@H]3OCC[NH2+][C@H]3C2)on1 ZINC000404181296 369422949 /nfs/dbraw/zinc/42/29/49/369422949.db2.gz IBBSMFXDMYVBLX-RYUDHWBXSA-N 1 0 237.303 0.546 10 0 BCAERO CCOCCN1CC[C@H]2OCC[NH2+][C@@H]2C1 ZINC000404229356 369423958 /nfs/dbraw/zinc/42/39/58/369423958.db2.gz PGOKVLRVCDQMBH-GHMZBOCLSA-N 1 0 214.309 0.086 10 0 BCAERO Cc1ncccc1CN1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC000404283613 369425712 /nfs/dbraw/zinc/42/57/12/369425712.db2.gz WNTZEVORXZOADH-KGLIPLIRSA-N 1 0 247.342 0.953 10 0 BCAERO CCOC(=O)C[C@H](O)C[N@@H+]1CC[C@H](CCO)C1 ZINC000123625648 369669780 /nfs/dbraw/zinc/66/97/80/369669780.db2.gz RPUVCQUPNCWPPU-MNOVXSKESA-N 1 0 245.319 0.005 10 0 BCAERO COc1ccnc(N2CC[C@@H]([NH3+])[C@H](C)C2)n1 ZINC000251761466 369949159 /nfs/dbraw/zinc/94/91/59/369949159.db2.gz LWHIRCSLRVPTGE-RKDXNWHRSA-N 1 0 222.292 0.659 10 0 BCAERO Cc1nnc(N2C[C@H](C)[NH2+]C[C@H]2C)nc1C ZINC000253365446 370170538 /nfs/dbraw/zinc/17/05/38/370170538.db2.gz OQZOPDQCPPJSLQ-JGVFFNPUSA-N 1 0 221.308 0.675 10 0 BCAERO Cn1nnc(Br)c1CC[NH3+] ZINC000215240393 370170822 /nfs/dbraw/zinc/17/08/22/370170822.db2.gz QOOWVEJWYVFZOA-UHFFFAOYSA-N 1 0 205.059 0.079 10 0 BCAERO Cc1cc(C[N@@H+]2C[C@@H](O)C[C@@H]2CO)ccn1 ZINC000621271936 370202951 /nfs/dbraw/zinc/20/29/51/370202951.db2.gz YQIBGJBYGRHIPA-NEPJUHHUSA-N 1 0 222.288 0.318 10 0 BCAERO O[C@H]1COCC[C@@H]1[NH2+]Cc1ccncc1Cl ZINC000623768385 370255718 /nfs/dbraw/zinc/25/57/18/370255718.db2.gz USIXYPUZEYPLFZ-QWRGUYRKSA-N 1 0 242.706 0.974 10 0 BCAERO CCN1CCO[C@@H](C[NH2+]Cc2cnn(C)c2)C1 ZINC000113266877 370397257 /nfs/dbraw/zinc/39/72/57/370397257.db2.gz GAVQFMFMDUHQDU-LBPRGKRZSA-N 1 0 238.335 0.230 10 0 BCAERO [NH3+]Cc1nccnc1-n1cc(Cl)cn1 ZINC000054378291 181504102 /nfs/dbraw/zinc/50/41/02/181504102.db2.gz CVACTESHYIQEQX-UHFFFAOYSA-N 1 0 209.640 0.774 10 0 BCAERO CC1=[N+]([O-])[C@]2(O)CCCC[C@]2(C)[N+](O)=C1C ZINC000225411667 370579287 /nfs/dbraw/zinc/57/92/87/370579287.db2.gz BBKQRDJUJHSECM-QWRGUYRKSA-N 1 0 228.292 0.747 10 0 BCAERO NC(=O)[C@@H]1CCC[N@@H+]1[C@@H]1CCCC(=O)C1 ZINC000225423560 370608747 /nfs/dbraw/zinc/60/87/47/370608747.db2.gz VXDMFKFPZLDJIA-SCZZXKLOSA-N 1 0 210.277 0.448 10 0 BCAERO O[C@H]1COCC[C@@H]1[NH2+]Cc1ccccn1 ZINC000623764254 371086088 /nfs/dbraw/zinc/08/60/88/371086088.db2.gz AVDDGRMCMSJHQZ-QWRGUYRKSA-N 1 0 208.261 0.321 10 0 BCAERO CC(C)n1nccc1C[NH2+][C@@H]1CCOC[C@@H]1O ZINC000623766298 371086280 /nfs/dbraw/zinc/08/62/80/371086280.db2.gz DDQGMGKCHHSNPR-NEPJUHHUSA-N 1 0 239.319 0.703 10 0 BCAERO [NH3+][C@@H](Cc1ccccc1)C(=O)Nc1cn[nH]c1 ZINC000035764251 181556303 /nfs/dbraw/zinc/55/63/03/181556303.db2.gz MWKCNVRKVDKKSE-NSHDSACASA-N 1 0 230.271 0.918 10 0 BCAERO [NH3+][C@@H]1CCCN(CC(=O)c2ccccn2)C1 ZINC000095072362 181578225 /nfs/dbraw/zinc/57/82/25/181578225.db2.gz ZYHXYLSYVCJHRX-SNVBAGLBSA-N 1 0 219.288 0.687 10 0 BCAERO [NH3+][C@@H]1CCN(C(=O)C2[C@@H]3CCCC[C@H]23)C1 ZINC000130741615 181586395 /nfs/dbraw/zinc/58/63/95/181586395.db2.gz UYXXNNWIXPHIJJ-NFLHVTIKSA-N 1 0 208.305 0.982 10 0 BCAERO [NH3+][C@@H]1CC[C@@H](C(=O)NC[C@@H](O)C(F)(F)F)C1 ZINC000226320633 181590944 /nfs/dbraw/zinc/59/09/44/181590944.db2.gz PACJTHBZLXZKBI-FSDSQADBSA-N 1 0 240.225 0.153 10 0 BCAERO [NH3+][C@H]1CCCC[C@H]1NC(=O)c1cn[nH]c1 ZINC000038048760 181642333 /nfs/dbraw/zinc/64/23/33/181642333.db2.gz GLGMGQXFMXORRQ-DTWKUNHWSA-N 1 0 208.265 0.409 10 0 BCAERO [NH3+][C@H]1CCC[C@H](C(=O)NCc2cn[nH]c2)C1 ZINC000070502843 181647412 /nfs/dbraw/zinc/64/74/12/181647412.db2.gz OJXJSQLHHMLFMW-UWVGGRQHSA-N 1 0 222.292 0.543 10 0 BCAERO [NH3+][C@H]1CCOC[C@@H]1OCC1CCOCC1 ZINC000052152956 181653206 /nfs/dbraw/zinc/65/32/06/181653206.db2.gz VVUPIEIHJAFRDF-QWRGUYRKSA-N 1 0 215.293 0.546 10 0 BCAERO Nc1cc(N)nc(SC[C@H]2CCCC[NH2+]2)n1 ZINC000043495592 181688993 /nfs/dbraw/zinc/68/89/93/181688993.db2.gz KEBSOBFBYQOOHY-SSDOTTSWSA-N 1 0 239.348 0.875 10 0 BCAERO CCCCN(CCO)C(=O)[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000042495449 168812098 /nfs/dbraw/zinc/81/20/98/168812098.db2.gz XIKDEWPCOCEWAC-NWDGAFQWSA-N 1 0 242.363 0.996 10 0 BCAERO C[C@H]([NH2+][C@@H]1CCOC[C@@H]1O)c1cnn(C)c1 ZINC000624236826 371421830 /nfs/dbraw/zinc/42/18/30/371421830.db2.gz KNKMLVDLHHZFGP-GDPRMGEGSA-N 1 0 225.292 0.221 10 0 BCAERO C[C@H]([NH2+][C@H]1CCOC[C@H]1O)c1cscn1 ZINC000624238584 371427618 /nfs/dbraw/zinc/42/76/18/371427618.db2.gz UICDGOQBFKNMJV-OYNCUSHFSA-N 1 0 228.317 0.944 10 0 BCAERO C[NH2+]C[C@@H](O)C(F)(F)Br ZINC000225681323 371565245 /nfs/dbraw/zinc/56/52/45/371565245.db2.gz YCPUQWBAWLEYKH-GSVOUGTGSA-N 1 0 204.014 0.554 10 0 BCAERO C[C@@H]1CC[N@H+](C[C@@](C)(N)C(N)=O)[C@@H](C)C1 ZINC000225767618 371576004 /nfs/dbraw/zinc/57/60/04/371576004.db2.gz IRIPNHCVHGZTNM-WCABBAIRSA-N 1 0 213.325 0.310 10 0 BCAERO C[C@@H]([NH3+])C(=O)N[C@H]1CCOC(C)(C)C1 ZINC000215583479 371583823 /nfs/dbraw/zinc/58/38/23/371583823.db2.gz QEZHGWQYLWSBBP-SFYZADRCSA-N 1 0 200.282 0.407 10 0 BCAERO Cn1ccc(CC(=O)[C@@H]2CCC[C@H]2[NH3+])n1 ZINC000226484059 371676494 /nfs/dbraw/zinc/67/64/94/371676494.db2.gz SFHMCEWLJNZJEI-NXEZZACHSA-N 1 0 207.277 0.659 10 0 BCAERO CC(C)C(=[NH2+])N1C[C@H](CO)O[C@@H](C)C1 ZINC000230025347 371636738 /nfs/dbraw/zinc/63/67/38/371636738.db2.gz BVMGYUTUSHGIDH-DTWKUNHWSA-N 1 0 200.282 0.701 10 0 BCAERO C[NH2+][C@H](C)C(=O)Nc1nc(C)ns1 ZINC000131810203 371683884 /nfs/dbraw/zinc/68/38/84/371683884.db2.gz UMIBILLTUBSISO-SCSAIBSYSA-N 1 0 200.267 0.393 10 0 BCAERO C[C@@H]1C[NH2+]C[C@@H]1NS(=O)(=O)C(C)(C)C ZINC000162501499 371700416 /nfs/dbraw/zinc/70/04/16/371700416.db2.gz KWDDZOONXGYAGK-SFYZADRCSA-N 1 0 220.338 0.312 10 0 BCAERO Brc1cnnn1C[C@H]1CC[NH2+]C1 ZINC000216725422 371796223 /nfs/dbraw/zinc/79/62/23/371796223.db2.gz DDFRPTDJHZHMLL-LURJTMIESA-N 1 0 231.097 0.650 10 0 BCAERO C[C@H](CC(N)=S)[N@@H+]1CC[C@@H](C)[C@@H](O)C1 ZINC000230253060 371879033 /nfs/dbraw/zinc/87/90/33/371879033.db2.gz BEBHBDDEXCOXJD-HLTSFMKQSA-N 1 0 216.350 0.754 10 0 BCAERO Nc1cc(N2CCS(=O)CC2)cc[nH+]1 ZINC000227655641 371915813 /nfs/dbraw/zinc/91/58/13/371915813.db2.gz GLUWUVABXJNBHV-UHFFFAOYSA-N 1 0 211.290 0.233 10 0 BCAERO [NH3+][C@H]1CCCC[C@H]1C(=O)NCC(F)F ZINC000133084963 371985088 /nfs/dbraw/zinc/98/50/88/371985088.db2.gz DWDHGPBIANEIRH-RQJHMYQMSA-N 1 0 206.236 0.885 10 0 BCAERO [NH3+]C[C@]1(C2CCC2)CCS(=O)(=O)C1 ZINC000306147649 371988311 /nfs/dbraw/zinc/98/83/11/371988311.db2.gz ALJHXZQXLIOBBM-SECBINFHSA-N 1 0 203.307 0.550 10 0 BCAERO C[N@@H+]1CCC[C@]2(CC1)NC(=S)NC2=O ZINC000133278827 372017471 /nfs/dbraw/zinc/01/74/71/372017471.db2.gz ZHIKASOVNSXYKB-SECBINFHSA-N 1 0 213.306 0.257 10 0 BCAERO C[C@@H]([NH3+])[C@H]1CN(CC(F)(F)F)CCO1 ZINC000133321591 372022305 /nfs/dbraw/zinc/02/23/05/372022305.db2.gz HXDWYJLBHITOMP-RNFRBKRXSA-N 1 0 212.215 0.597 10 0 BCAERO Nc1cccc(C(=O)N2CCC[C@H]2C[NH3+])c1 ZINC000178273350 134305658 /nfs/dbraw/zinc/30/56/58/134305658.db2.gz YYHHVALOENTQNA-NSHDSACASA-N 1 0 219.288 0.832 10 0 BCAERO COc1ncc(N2CCC[NH2+]CC2)s1 ZINC000306499974 372027474 /nfs/dbraw/zinc/02/74/74/372027474.db2.gz LVZUJYNAQAQNIM-UHFFFAOYSA-N 1 0 213.306 0.951 10 0 BCAERO CC(C)(O)CCN1CCC[C@H]([NH3+])C1=O ZINC000306569471 372037377 /nfs/dbraw/zinc/03/73/77/372037377.db2.gz WRTQLTFRXBGNBI-QMMMGPOBSA-N 1 0 200.282 0.097 10 0 BCAERO c1nc2n(n1)C[C@H]([NH2+]C1CSC1)CC2 ZINC000306598170 372043057 /nfs/dbraw/zinc/04/30/57/372043057.db2.gz PFQMAQJKIUJRAT-SSDOTTSWSA-N 1 0 210.306 0.298 10 0 BCAERO C[C@@H]1[C@H]([C@@H]2CC[NH2+]C2)CCS1(=O)=O ZINC000306779282 372067427 /nfs/dbraw/zinc/06/74/27/372067427.db2.gz VJCYPVSOVOQMAM-IWSPIJDZSA-N 1 0 203.307 0.419 10 0 BCAERO FC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000306913600 372077446 /nfs/dbraw/zinc/07/74/46/372077446.db2.gz PNFFRHJCUNYGJY-ZCFIWIBFSA-N 1 0 200.179 0.792 10 0 BCAERO [NH3+][C@H]1CN(CC2CCSCC2)C1=O ZINC000229464009 372155023 /nfs/dbraw/zinc/15/50/23/372155023.db2.gz NSUJNMIQMOBQJA-QMMMGPOBSA-N 1 0 200.307 0.299 10 0 BCAERO O=C(C1C[NH2+]C1)N1CCC[C@]2(CCCOC2)C1 ZINC000336357091 181872403 /nfs/dbraw/zinc/87/24/03/181872403.db2.gz HKZGOXVJUNGAPQ-ZDUSSCGKSA-N 1 0 238.331 0.625 10 0 BCAERO [NH3+]CCOCCNC(=O)NCc1ccccc1 ZINC000232308121 372124162 /nfs/dbraw/zinc/12/41/62/372124162.db2.gz AGJPBNLGGBTFCX-UHFFFAOYSA-N 1 0 237.303 0.461 10 0 BCAERO O=S1CCC([NH2+][C@H]2CCSC2)CC1 ZINC000229175441 372124630 /nfs/dbraw/zinc/12/46/30/372124630.db2.gz OVTIZOOGPQDVJZ-JVVWGOMOSA-N 1 0 219.375 0.993 10 0 BCAERO Nc1cc[nH+]cc1[C@@H](O)c1csnn1 ZINC000307536636 372126313 /nfs/dbraw/zinc/12/63/13/372126313.db2.gz PVRZUWAHEGFBNP-MRVPVSSYSA-N 1 0 208.246 0.597 10 0 BCAERO C[C@@H](CNC1=[NH+]CCCC1)[S@@](C)=O ZINC000229725110 372186057 /nfs/dbraw/zinc/18/60/57/372186057.db2.gz GLMCLHLSQNDSCJ-ISVAXAHUSA-N 1 0 202.323 0.925 10 0 BCAERO C[C@H]1COCC[C@H]1[NH2+][C@@H]1COCC[C@H]1O ZINC000631750400 372551001 /nfs/dbraw/zinc/55/10/01/372551001.db2.gz CWIOBFWGXFMRMX-LNFKQOIKSA-N 1 0 215.293 0.151 10 0 BCAERO O=C(CC[C@H]1CC[NH2+]C1)N[C@@H]1CCCOC1 ZINC000134564457 181927574 /nfs/dbraw/zinc/92/75/74/181927574.db2.gz OUJOZDXNTWRKPC-WDEREUQCSA-N 1 0 226.320 0.671 10 0 BCAERO Cc1nc(CN2C[C@H](C)[C@H](C[NH3+])C2)no1 ZINC000631838768 372634197 /nfs/dbraw/zinc/63/41/97/372634197.db2.gz UXSOIUYCCWHUMX-IONNQARKSA-N 1 0 210.281 0.405 10 0 BCAERO C[C@H](CN1C[C@@H](C)[C@@H](C[NH3+])C1)CS(C)(=O)=O ZINC000631840929 372637897 /nfs/dbraw/zinc/63/78/97/372637897.db2.gz WLJAPOPKXDLGOX-MXWKQRLJSA-N 1 0 248.392 0.194 10 0 BCAERO CCc1nc(CN2C[C@H](C)[C@@H](C[NH3+])C2)no1 ZINC000631841242 372637997 /nfs/dbraw/zinc/63/79/97/372637997.db2.gz IJIZOVHNQXXQQJ-IUCAKERBSA-N 1 0 224.308 0.659 10 0 BCAERO C[C@H]1CN(Cc2cncn2C)C[C@@H]1C[NH3+] ZINC000631841110 372638291 /nfs/dbraw/zinc/63/82/91/372638291.db2.gz YBICLHDWAHARBK-UWVGGRQHSA-N 1 0 208.309 0.447 10 0 BCAERO C[C@H]1CN(Cc2nnnn2C2CC2)C[C@@H]1C[NH3+] ZINC000631841755 372638559 /nfs/dbraw/zinc/63/85/59/372638559.db2.gz PGHZMSXDDCVPMR-IUCAKERBSA-N 1 0 236.323 0.035 10 0 BCAERO CC(C)S(=O)(=O)CCCN1C[C@H]([NH3+])C[C@H]1C ZINC000631861072 372662426 /nfs/dbraw/zinc/66/24/26/372662426.db2.gz VDCMZFRQPQJFOV-GHMZBOCLSA-N 1 0 248.392 0.621 10 0 BCAERO O=C(C[NH2+]C1CCCC1)N1CCC[C@@H](CO)C1 ZINC000037626484 181977153 /nfs/dbraw/zinc/97/71/53/181977153.db2.gz KZNHMLIMGBBFNN-LLVKDONJSA-N 1 0 240.347 0.750 10 0 BCAERO O=C(C[NH2+]CC1CC1)NC[C@H](O)C(F)(F)F ZINC000226321007 181978429 /nfs/dbraw/zinc/97/84/29/181978429.db2.gz HXXCMUUVPWMVHC-ZETCQYMHSA-N 1 0 240.225 0.025 10 0 BCAERO CCc1nc(C)c(CN2CCO[C@@H](C[NH3+])C2)[nH]1 ZINC000067674828 372843659 /nfs/dbraw/zinc/84/36/59/372843659.db2.gz ZTTOIXVRHZVGRJ-JTQLQIEISA-N 1 0 238.335 0.440 10 0 BCAERO O=C(CO[C@@H]1CC[NH2+]C1)c1nccs1 ZINC000095072832 181999703 /nfs/dbraw/zinc/99/97/03/181999703.db2.gz PWQHNWHUXHKFOV-SSDOTTSWSA-N 1 0 212.274 0.704 10 0 BCAERO O=C(C[C@H]1CCC[NH2+]C1)Nc1cc[nH]n1 ZINC000054308907 182028404 /nfs/dbraw/zinc/02/84/04/182028404.db2.gz CVUARKRUQXUNRH-MRVPVSSYSA-N 1 0 208.265 0.738 10 0 BCAERO O=C(C[C@H]1CCC[NH2+]1)NCc1cn[nH]c1 ZINC000042170328 182028635 /nfs/dbraw/zinc/02/86/35/182028635.db2.gz DMBXAPQHEUDJOX-SECBINFHSA-N 1 0 208.265 0.168 10 0 BCAERO C[C@H]1C[NH2+]C[C@H](C)N1C(=O)C(F)(F)F ZINC000068913544 373088877 /nfs/dbraw/zinc/08/88/77/373088877.db2.gz ZQTQCKQKGXDZMJ-WDSKDSINSA-N 1 0 210.199 0.758 10 0 BCAERO CCS(=O)(=O)N1[C@H](C)C[NH2+]C[C@@H]1C ZINC000068914034 373089256 /nfs/dbraw/zinc/08/92/56/373089256.db2.gz DGPVMNXUMGKNHN-OCAPTIKFSA-N 1 0 206.311 0.018 10 0 BCAERO CC(C)C(=[NH2+])N[C@@H]1CCCS(=O)(=O)C1 ZINC000068942151 373094595 /nfs/dbraw/zinc/09/45/95/373094595.db2.gz VSIZJMQHEOFMQM-MRVPVSSYSA-N 1 0 218.322 0.786 10 0 BCAERO [NH2+]=C1CCCN1[C@H]1CCCS(=O)(=O)C1 ZINC000068941799 373094627 /nfs/dbraw/zinc/09/46/27/373094627.db2.gz JYKBGZGZFYDELV-QMMMGPOBSA-N 1 0 216.306 0.637 10 0 BCAERO O=C(Cn1cccn1)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040740463 182068974 /nfs/dbraw/zinc/06/89/74/182068974.db2.gz DETGUVAESORGON-ZACCUICWSA-N 1 0 234.303 0.282 10 0 BCAERO O=C(Cn1cccn1)N1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000051358121 182068996 /nfs/dbraw/zinc/06/89/96/182068996.db2.gz SEIXPKSTUDGFHG-NEPJUHHUSA-N 1 0 248.330 0.626 10 0 BCAERO O=C([C@H]1CCCO1)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000632863472 373197040 /nfs/dbraw/zinc/19/70/40/373197040.db2.gz HNSHYYOKYOSCJD-QJPTWQEYSA-N 1 0 238.331 0.766 10 0 BCAERO O=C(NC1CC1)C1=NO[C@]2(C1)CCC[NH2+]C2 ZINC000096268877 182095100 /nfs/dbraw/zinc/09/51/00/182095100.db2.gz CGYBFKGPNGJQCQ-NSHDSACASA-N 1 0 223.276 0.164 10 0 BCAERO O=C(NC1(CO)CCCCC1)[C@@H]1CCCC[NH2+]1 ZINC000053127162 182090273 /nfs/dbraw/zinc/09/02/73/182090273.db2.gz DFTRDTSFJIZGJR-NSHDSACASA-N 1 0 240.347 0.940 10 0 BCAERO O=C(NC1(CO)CCCC1)[C@H]1CC[NH2+]C1 ZINC000062116871 182091126 /nfs/dbraw/zinc/09/11/26/182091126.db2.gz LDAFYBSHRPAJGS-VIFPVBQESA-N 1 0 212.293 0.017 10 0 BCAERO O=C(NC1C[NH2+]C1)C1CCC(F)(F)CC1 ZINC000127118015 182119044 /nfs/dbraw/zinc/11/90/44/182119044.db2.gz VBLBNTSSAVDTDI-UHFFFAOYSA-N 1 0 218.247 0.900 10 0 BCAERO O=C(NC1C[NH2+]C1)c1coc(Br)c1 ZINC000306510419 182119098 /nfs/dbraw/zinc/11/90/98/182119098.db2.gz LAYAELGRUQXPND-UHFFFAOYSA-N 1 0 245.076 0.744 10 0 BCAERO COC(=O)[C@H](C)N1CC[C@H](C)[C@@H]([NH3+])C1 ZINC000069720180 373647936 /nfs/dbraw/zinc/64/79/36/373647936.db2.gz XNQVXDJCXOGDMY-CIUDSAMLSA-N 1 0 200.282 0.217 10 0 BCAERO C[C@H]1CCC[C@H](CN)[N@@H+]1CC(C)(C)O ZINC000069722909 373653019 /nfs/dbraw/zinc/65/30/19/373653019.db2.gz ODRGMKGGYRTEKX-VHSXEESVSA-N 1 0 200.326 0.959 10 0 BCAERO O=C([O-])C1([NH2+]Cc2ccccc2)CC[NH2+]CC1 ZINC000040695282 373614029 /nfs/dbraw/zinc/61/40/29/373614029.db2.gz UUZGXSGPWZBELN-UHFFFAOYSA-N 1 0 234.299 0.983 10 0 BCAERO CC(C)C[C@@H](CO)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000040777179 373700756 /nfs/dbraw/zinc/70/07/56/373700756.db2.gz XUVMWHQJWOGKEC-QWHCGFSZSA-N 1 0 244.379 0.440 10 0 BCAERO O=C(NCC[C@@H]1CCCO1)[C@H]1CC[NH2+]C1 ZINC000062115490 182199376 /nfs/dbraw/zinc/19/93/76/182199376.db2.gz CXFBESRQGJSVDT-UWVGGRQHSA-N 1 0 212.293 0.281 10 0 BCAERO CC(C)([NH3+])C(=O)N[C@H]1CCC[C@@H](O)C1 ZINC000040921089 373926848 /nfs/dbraw/zinc/92/68/48/373926848.db2.gz ZSWUZLMXLJDCJF-JGVFFNPUSA-N 1 0 200.282 0.143 10 0 BCAERO O=C(NCCc1ccncc1)[C@H]1CCC[NH2+]C1 ZINC000048262296 182208831 /nfs/dbraw/zinc/20/88/31/182208831.db2.gz AESMIVWPOIMLGU-LBPRGKRZSA-N 1 0 233.315 0.740 10 0 BCAERO CC(C)[NH2+][C@@]1(C(N)=O)CCOC(C)(C)C1 ZINC000069893136 373970007 /nfs/dbraw/zinc/97/00/07/373970007.db2.gz KBLAHNCGEYNGMV-NSHDSACASA-N 1 0 214.309 0.798 10 0 BCAERO C[NH2+][C@]1(C(N)=O)CCO[C@H](C(C)C)C1 ZINC000069893219 373970813 /nfs/dbraw/zinc/97/08/13/373970813.db2.gz DTRBJRVTZXOQES-WCBMZHEXSA-N 1 0 200.282 0.265 10 0 BCAERO O=C(NC[C@H](O)C(F)(F)F)C1CC[NH2+]CC1 ZINC000225389890 182231896 /nfs/dbraw/zinc/23/18/96/182231896.db2.gz MJBRROYDVDBLNG-ZETCQYMHSA-N 1 0 240.225 0.025 10 0 BCAERO O=C(NC[C@@H]1CCCCO1)[C@@H]1CC[NH2+]C1 ZINC000062116554 182225507 /nfs/dbraw/zinc/22/55/07/182225507.db2.gz RHPNEWOMPJTYHY-ZJUUUORDSA-N 1 0 212.293 0.281 10 0 BCAERO CCOc1cncc(N(CC)CC[NH3+])n1 ZINC000070580934 374147283 /nfs/dbraw/zinc/14/72/83/374147283.db2.gz RHNNQAXGLCNXGA-UHFFFAOYSA-N 1 0 210.281 0.660 10 0 BCAERO O=C(NC[C@H]1CCOC1)[C@H]1CCCC[NH2+]1 ZINC000037739059 182244132 /nfs/dbraw/zinc/24/41/32/182244132.db2.gz HLMRRAQVRRIZNG-NXEZZACHSA-N 1 0 212.293 0.281 10 0 BCAERO CON(C)C(=O)[C@@]1([NH3+])CCC[C@H](C)C1 ZINC000070904540 374228255 /nfs/dbraw/zinc/22/82/55/374228255.db2.gz GMMDVDMJHOLCGE-WCBMZHEXSA-N 1 0 200.282 0.914 10 0 BCAERO [NH3+]CCCN1CCN(CCC(F)(F)F)CC1 ZINC000070911830 374228297 /nfs/dbraw/zinc/22/82/97/374228297.db2.gz QDIAUFJVRCLOPN-UHFFFAOYSA-N 1 0 239.285 0.905 10 0 BCAERO [NH3+]CCN1CCN(CCC(F)(F)F)CC1 ZINC000070911838 374228330 /nfs/dbraw/zinc/22/83/30/374228330.db2.gz LIOCIHLLAFIHJO-UHFFFAOYSA-N 1 0 225.258 0.515 10 0 BCAERO CC[C@@H]1CN(C(C)=O)CC[N@@H+]1C[C@H](C)O ZINC000246740154 374293601 /nfs/dbraw/zinc/29/36/01/374293601.db2.gz GDPKJNRXYDBHMX-GXSJLCMTSA-N 1 0 214.309 0.310 10 0 BCAERO O=C(NCc1nccs1)[C@H]1CC[NH2+]C1 ZINC000062116369 182276008 /nfs/dbraw/zinc/27/60/08/182276008.db2.gz NQNNNMGTUHTADK-ZETCQYMHSA-N 1 0 211.290 0.369 10 0 BCAERO O=C(N[C@@H]1CC[NH2+]C[C@H]1O)c1ccccc1 ZINC000036456656 182304500 /nfs/dbraw/zinc/30/45/00/182304500.db2.gz OQYITJFGEOOJPO-GHMZBOCLSA-N 1 0 220.272 0.139 10 0 BCAERO O=C(N[C@H](CO)Cc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000063220814 182324659 /nfs/dbraw/zinc/32/46/59/182324659.db2.gz YTYRRTBPYWDDBV-STQMWFEESA-N 1 0 248.326 0.458 10 0 BCAERO O=C(N[C@H]1CC[NH2+]C[C@H]1O)c1ccccc1 ZINC000036456657 182335478 /nfs/dbraw/zinc/33/54/78/182335478.db2.gz OQYITJFGEOOJPO-WDEREUQCSA-N 1 0 220.272 0.139 10 0 BCAERO O=C(N[C@H]1CC[NH2+]C[C@@H]1O)c1ccccc1 ZINC000036456655 182335870 /nfs/dbraw/zinc/33/58/70/182335870.db2.gz OQYITJFGEOOJPO-QWRGUYRKSA-N 1 0 220.272 0.139 10 0 BCAERO O=C(Nc1cccc(CO)c1)[C@@H]1CC[NH2+]C1 ZINC000062113749 182368452 /nfs/dbraw/zinc/36/84/52/182368452.db2.gz NTDIQZWKVNMYGO-SNVBAGLBSA-N 1 0 220.272 0.727 10 0 BCAERO O=C(Nc1cccc2n[nH]cc21)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000037769582 182373231 /nfs/dbraw/zinc/37/32/31/182373231.db2.gz HTIPBRBRWLVXFQ-CPCISQLKSA-N 1 0 246.270 0.224 10 0 BCAERO O=C(Nc1ccncn1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000194094433 182387506 /nfs/dbraw/zinc/38/75/06/182387506.db2.gz GJPCRNLQXSQEBG-JTQLQIEISA-N 1 0 247.302 0.789 10 0 BCAERO O=C(OCC1CCOCC1)[C@@H]1CC[NH2+]C1 ZINC000062132652 182601857 /nfs/dbraw/zinc/60/18/57/182601857.db2.gz XBBMSTKANXZGLT-SNVBAGLBSA-N 1 0 213.277 0.566 10 0 BCAERO O=C([C@@H]1CCCO1)N1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000051358401 182617506 /nfs/dbraw/zinc/61/75/06/182617506.db2.gz DDHPLFVSDXFLKE-TUAOUCFPSA-N 1 0 238.331 0.908 10 0 BCAERO O=C([C@@H]1CCCO1)N1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000051358399 182617829 /nfs/dbraw/zinc/61/78/29/182617829.db2.gz DDHPLFVSDXFLKE-SRVKXCTJSA-N 1 0 238.331 0.908 10 0 BCAERO O=C(c1ccc2[nH]c(=O)[nH]c2c1)[C@H]1CCC[NH2+]1 ZINC000082602970 182664600 /nfs/dbraw/zinc/66/46/00/182664600.db2.gz ZPGZOWGPSAUQMV-SECBINFHSA-N 1 0 231.255 0.791 10 0 BCAERO OC[C@H](O)CSCCC[NH+]1CCCCC1 ZINC000191833065 259579593 /nfs/dbraw/zinc/57/95/93/259579593.db2.gz ZLDAXFZUBWHRKC-NSHDSACASA-N 1 0 233.377 0.949 10 0 BCAERO O=C1NC2(CCCC2)C(=O)N1C[C@@H]1CCC[NH2+]1 ZINC000043495892 182794881 /nfs/dbraw/zinc/79/48/81/182794881.db2.gz QUUGPCMVAPPIIT-VIFPVBQESA-N 1 0 237.303 0.603 10 0 BCAERO O=C1NCCCN1CCC1CC[NH2+]CC1 ZINC000043373369 182798876 /nfs/dbraw/zinc/79/88/76/182798876.db2.gz PXXABZOWFUKZRT-UHFFFAOYSA-N 1 0 211.309 0.791 10 0 BCAERO O=S(=O)(C[C@@H]1CCC[NH2+]1)N1CCCCC1 ZINC000049632195 182890239 /nfs/dbraw/zinc/89/02/39/182890239.db2.gz DNZROVACJAFPCW-JTQLQIEISA-N 1 0 232.349 0.554 10 0 BCAERO O=S(=O)(c1cccs1)[C@@H]1CC[NH2+]C1 ZINC000071520122 182905442 /nfs/dbraw/zinc/90/54/42/182905442.db2.gz WVYQPNHJHZFMEM-SSDOTTSWSA-N 1 0 217.315 0.884 10 0 BCAERO O=S1(=O)CCC([NH2+]C2CCC2)CC1 ZINC000044480707 182907843 /nfs/dbraw/zinc/90/78/43/182907843.db2.gz HDCWTQIPZDVATA-UHFFFAOYSA-N 1 0 203.307 0.706 10 0 BCAERO O=S1(=O)CCCN1C[C@@H]1CCCC[NH2+]1 ZINC000019431321 182909370 /nfs/dbraw/zinc/90/93/70/182909370.db2.gz ONMIYOVEOUEIJH-VIFPVBQESA-N 1 0 218.322 0.164 10 0 BCAERO O=S1(=O)CC[C@@H](C(F)F)[C@@]12CC[NH2+]C2 ZINC000091304894 182909959 /nfs/dbraw/zinc/90/99/59/182909959.db2.gz OMIRRCXEDPUUPK-XPUUQOCRSA-N 1 0 225.260 0.418 10 0 BCAERO O=[S@](C[C@@H]1CCC[NH2+]1)c1ccccn1 ZINC000095073533 182965874 /nfs/dbraw/zinc/96/58/74/182965874.db2.gz TZEGAHHJGXRLBD-XPTSAGLGSA-N 1 0 210.302 0.941 10 0 BCAERO O=c1ccccn1CC[NH2+]C1CCOCC1 ZINC000062767926 183002226 /nfs/dbraw/zinc/00/22/26/183002226.db2.gz LYAJGKYZOAJEOI-UHFFFAOYSA-N 1 0 222.288 0.617 10 0 BCAERO O=c1cccnn1CCC[C@H]1CCC[NH2+]1 ZINC000061403308 183003348 /nfs/dbraw/zinc/00/33/48/183003348.db2.gz NHKOUHQGUZKSHE-SNVBAGLBSA-N 1 0 207.277 0.776 10 0 BCAERO OCCCC[N@@H+]1CCC[C@@H](n2cncn2)C1 ZINC000105922849 183050967 /nfs/dbraw/zinc/05/09/67/183050967.db2.gz UUISXIWNOHDMDM-LLVKDONJSA-N 1 0 224.308 0.688 10 0 BCAERO OCCOCC[NH2+][C@@H]1CCc2c1cccc2O ZINC000036852551 183086033 /nfs/dbraw/zinc/08/60/33/183086033.db2.gz BMTKQMGUWOGPOC-GFCCVEGCSA-N 1 0 237.299 0.978 10 0 BCAERO OC[C@@H](O)C[NH2+]Cc1ccc(Cl)cc1F ZINC000083360423 183111895 /nfs/dbraw/zinc/11/18/95/183111895.db2.gz OPOOGEZJAFDHIZ-VIFPVBQESA-N 1 0 233.670 0.922 10 0 BCAERO CCCC[C@H]([NH3+])C(=O)N1CCC[C@@H]1C(=O)OC ZINC000037804280 169006226 /nfs/dbraw/zinc/00/62/26/169006226.db2.gz KAUDGZVZICDOQM-VHSXEESVSA-N 1 0 242.319 0.668 10 0 BCAERO CCCC[C@H]([NH3+])C(=O)N1CCCC[C@@H]1C(N)=O ZINC000037996515 169006444 /nfs/dbraw/zinc/00/64/44/169006444.db2.gz OHZZMIKYCKFETQ-VHSXEESVSA-N 1 0 241.335 0.370 10 0 BCAERO CCCC[C@H]([NH3+])[C@H]1CCS(=O)(=O)C1 ZINC000043300142 169009606 /nfs/dbraw/zinc/00/96/06/169009606.db2.gz SEFRXAWKSIOEOE-IUCAKERBSA-N 1 0 205.323 0.939 10 0 BCAERO OCC[C@H]1CC[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000162335167 183099257 /nfs/dbraw/zinc/09/92/57/183099257.db2.gz KNYRZUGNPOQOBZ-NEPJUHHUSA-N 1 0 212.337 0.690 10 0 BCAERO OC[C@H](O)C[NH2+]Cc1cccc(F)c1Cl ZINC000083360434 183143154 /nfs/dbraw/zinc/14/31/54/183143154.db2.gz GEZFWEFDQWZULP-MRVPVSSYSA-N 1 0 233.670 0.922 10 0 BCAERO OC[C@@H]1C[C@@H](OC(F)(F)C(F)(F)F)C[NH2+]1 ZINC000091252403 183129294 /nfs/dbraw/zinc/12/92/94/183129294.db2.gz GTJVFIABTBXPGR-CRCLSJGQSA-N 1 0 235.152 0.881 10 0 BCAERO OC[C@@H]1C[C@H](O)C[N@@H+]1C[C@@H]1Cc2ccccc21 ZINC000287710507 183130531 /nfs/dbraw/zinc/13/05/31/183130531.db2.gz JPFXUJKUJCYTRB-AVGNSLFASA-N 1 0 233.311 0.754 10 0 BCAERO OC[C@H]1CCC[N@H+](Cc2cnccn2)C1 ZINC000050104482 183150867 /nfs/dbraw/zinc/15/08/67/183150867.db2.gz DOPLEZXAVFGKOT-JTQLQIEISA-N 1 0 207.277 0.681 10 0 BCAERO OC[C@H]1CC[N@H+](C[C@H]2COC3(CCCC3)O2)C1 ZINC000051887534 183152642 /nfs/dbraw/zinc/15/26/42/183152642.db2.gz SHEGRAPKZYGCJW-RYUDHWBXSA-N 1 0 241.331 0.986 10 0 BCAERO OC[C@H]1C[C@H](O)C[N@@H+]1CCc1ccncc1 ZINC000184737298 183156197 /nfs/dbraw/zinc/15/61/97/183156197.db2.gz ZJULRLOFAFDKIM-NEPJUHHUSA-N 1 0 222.288 0.052 10 0 BCAERO OC[C@H]1C[C@H](O)C[N@@H+]1CCc1ccccc1 ZINC000179184309 183156873 /nfs/dbraw/zinc/15/68/73/183156873.db2.gz WAKSKJZQXLARDY-OLZOCXBDSA-N 1 0 221.300 0.657 10 0 BCAERO CCCN(C(=O)C(=O)N1CC[NH2+]CC1)C(C)C ZINC000037096550 169040448 /nfs/dbraw/zinc/04/04/48/169040448.db2.gz FMDUUIFRRMSSSH-UHFFFAOYSA-N 1 0 241.335 0.065 10 0 BCAERO CCCN(C(=O)[C@H]1C[C@@H](O)C[NH2+]1)C1CC1 ZINC000037097384 169045909 /nfs/dbraw/zinc/04/59/09/169045909.db2.gz MFUBGWINNVQAMR-NXEZZACHSA-N 1 0 212.293 0.110 10 0 BCAERO CCCN(C(=O)[C@H]1C[C@@H](O)C[NH2+]1)C(C)C ZINC000037096212 169046657 /nfs/dbraw/zinc/04/66/57/169046657.db2.gz ADYMJLMFJFKTIT-NXEZZACHSA-N 1 0 214.309 0.356 10 0 BCAERO CCCN(C)C(=O)CN1CCC[NH2+]CC1 ZINC000061269458 169053040 /nfs/dbraw/zinc/05/30/40/169053040.db2.gz ZORNRJXSLGOIOH-UHFFFAOYSA-N 1 0 213.325 0.150 10 0 BCAERO O[C@@H]1CCC[C@@H]([NH2+]Cc2ccncn2)C1 ZINC000054789553 183195195 /nfs/dbraw/zinc/19/51/95/183195195.db2.gz PYYKHJAKGOFQFM-MWLCHTKSSA-N 1 0 207.277 0.870 10 0 BCAERO CCCN(CC(=O)OC)C(=O)[C@@H]1CCCC[NH2+]1 ZINC000037813023 169100096 /nfs/dbraw/zinc/10/00/96/169100096.db2.gz LHSAHLXULWFBPM-JTQLQIEISA-N 1 0 242.319 0.540 10 0 BCAERO O[C@@]1(c2ccc3c(c2)OCCO3)CC[NH2+]C1 ZINC000071522862 183218081 /nfs/dbraw/zinc/21/80/81/183218081.db2.gz BHIGGKMBJYUMIV-LBPRGKRZSA-N 1 0 221.256 0.639 10 0 BCAERO CCCN(C)S(=O)(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000236767698 169084609 /nfs/dbraw/zinc/08/46/09/169084609.db2.gz PYDMPHMQTNKHRA-NXEZZACHSA-N 1 0 249.380 0.290 10 0 BCAERO O[C@@H]1COC[C@H]1[NH2+]CCc1cccs1 ZINC000037880447 183210740 /nfs/dbraw/zinc/21/07/40/183210740.db2.gz SOROHSDYGDKAIA-NXEZZACHSA-N 1 0 213.302 0.640 10 0 BCAERO O[C@@H]1COC[C@@H]1[NH2+]CCc1ccc(F)cc1 ZINC000037875054 183211126 /nfs/dbraw/zinc/21/11/26/183211126.db2.gz IGXKQVJRDCVXRN-NWDGAFQWSA-N 1 0 225.263 0.718 10 0 BCAERO CCCN(CC(=O)N(C)C)c1cc[nH+]cc1N ZINC000042421032 169092847 /nfs/dbraw/zinc/09/28/47/169092847.db2.gz CKWPXPQITDKXFY-UHFFFAOYSA-N 1 0 236.319 0.968 10 0 BCAERO CCCN(CC(=O)NC)C(=O)[C@@H]([NH3+])[C@H](C)CC ZINC000038101027 169094517 /nfs/dbraw/zinc/09/45/17/169094517.db2.gz YIKMTKXIMLMCKA-KOLCDFICSA-N 1 0 243.351 0.344 10 0 BCAERO CCCN(CC(=O)NC)C(=O)[C@](C)([NH3+])C1CC1 ZINC000038101071 169094629 /nfs/dbraw/zinc/09/46/29/169094629.db2.gz NUWGICRCPDZPRP-GFCCVEGCSA-N 1 0 241.335 0.098 10 0 BCAERO O[C@@]1(CSc2ccncc2)CC[NH2+]C1 ZINC000033359085 183216088 /nfs/dbraw/zinc/21/60/88/183216088.db2.gz RVCVGUAWTJFZII-JTQLQIEISA-N 1 0 210.302 0.898 10 0 BCAERO O[C@H]1C[NH2+][C@@H](c2nc(-c3ccco3)no2)C1 ZINC000163673922 183245858 /nfs/dbraw/zinc/24/58/58/183245858.db2.gz WFZMBLYSKXDWNU-RNFRBKRXSA-N 1 0 221.216 0.725 10 0 BCAERO O[C@H]1COC[C@@H]1[NH2+]Cc1ccccc1F ZINC000037880481 183246351 /nfs/dbraw/zinc/24/63/51/183246351.db2.gz VEYVFWQERODFDA-QWRGUYRKSA-N 1 0 211.236 0.675 10 0 BCAERO O[C@H]1COC[C@@H]1[NH2+]CCc1cccc(F)c1 ZINC000037891893 183246399 /nfs/dbraw/zinc/24/63/99/183246399.db2.gz ZRUIVETWCXTEHG-RYUDHWBXSA-N 1 0 225.263 0.718 10 0 BCAERO O[C@H]1CCCC[C@H]1[NH2+]Cc1cnccn1 ZINC000054766774 183233978 /nfs/dbraw/zinc/23/39/78/183233978.db2.gz PWWAGWUBAHWERB-MNOVXSKESA-N 1 0 207.277 0.870 10 0 BCAERO O[C@H]1CCC[C@@H]1C[NH2+]Cc1cncnc1 ZINC000084229023 183236678 /nfs/dbraw/zinc/23/66/78/183236678.db2.gz LSPDFHLTCBKJFT-MNOVXSKESA-N 1 0 207.277 0.727 10 0 BCAERO CCCN(CCC(=O)OC)[C@H]1CC[NH2+]C1 ZINC000069051293 169139532 /nfs/dbraw/zinc/13/95/32/169139532.db2.gz BHZQHZUFVYELIR-JTQLQIEISA-N 1 0 214.309 0.623 10 0 BCAERO O=c1cc(CNC[C@H]2CCC[NH2+]C2)nc[nH]1 ZINC000045956800 183256853 /nfs/dbraw/zinc/25/68/53/183256853.db2.gz GKLXIWBIODHVQM-VIFPVBQESA-N 1 0 222.292 0.271 10 0 BCAERO CCC[N@H+](C[C@H](O)Cn1cc(N)cn1)C1CC1 ZINC000037096606 169173758 /nfs/dbraw/zinc/17/37/58/169173758.db2.gz RPPNZAISJQDBSY-LBPRGKRZSA-N 1 0 238.335 0.701 10 0 BCAERO CCCN(CCC[NH3+])c1ccnc(C(N)=O)c1 ZINC000035673079 169155400 /nfs/dbraw/zinc/15/54/00/169155400.db2.gz ANYCKRNMMCVSKE-UHFFFAOYSA-N 1 0 236.319 0.746 10 0 BCAERO CCCN(CCO)C(=O)[C@@H]1CCC[C@H](C)[C@@H]1[NH3+] ZINC000055133222 169162915 /nfs/dbraw/zinc/16/29/15/169162915.db2.gz SAMHTRIEIIYQPC-TUAOUCFPSA-N 1 0 242.363 0.981 10 0 BCAERO Oc1cccc2c1O[C@@H](C1=[NH+]CCN1)C2 ZINC000027635824 183296943 /nfs/dbraw/zinc/29/69/43/183296943.db2.gz DPHQHCITBNDFIG-SECBINFHSA-N 1 0 204.229 0.697 10 0 BCAERO CCC[N@H+](CCO)C[C@H](C)C(=O)OC ZINC000042207083 169165700 /nfs/dbraw/zinc/16/57/00/169165700.db2.gz LWMQSBPFCZIBBH-VIFPVBQESA-N 1 0 203.282 0.500 10 0 BCAERO CCCN([C@@H]1CCC[NH2+]C1)S(C)(=O)=O ZINC000037470081 169180992 /nfs/dbraw/zinc/18/09/92/169180992.db2.gz SAOUDPWKLXSOTD-SECBINFHSA-N 1 0 220.338 0.410 10 0 BCAERO CCCN1C(=O)C[C@H]([NH2+][C@H]2CCCOC2)C1=O ZINC000103965424 169184590 /nfs/dbraw/zinc/18/45/90/169184590.db2.gz FQYLKEAAHFGEJD-UWVGGRQHSA-N 1 0 240.303 0.293 10 0 BCAERO CCCN1CCC([NH2+]CC(C)C)(C(N)=O)CC1 ZINC000037946092 169188351 /nfs/dbraw/zinc/18/83/51/169188351.db2.gz BKPXWKDSNGGYSP-UHFFFAOYSA-N 1 0 241.379 0.962 10 0 BCAERO c1cnc2[nH]c(N[C@@H]3CC[NH2+]C3)nc2c1 ZINC000095092776 183329334 /nfs/dbraw/zinc/32/93/34/183329334.db2.gz JHYOJABEYYAKEZ-SSDOTTSWSA-N 1 0 203.249 0.683 10 0 BCAERO CCCNC(=O)CNC(=O)[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000036781287 169224769 /nfs/dbraw/zinc/22/47/69/169224769.db2.gz UANYMOOKPBDCMB-VHSXEESVSA-N 1 0 241.335 0.017 10 0 BCAERO CCCNC(=O)CNC[C@@H](C)C[NH+]1CCCC1 ZINC000062072206 169226495 /nfs/dbraw/zinc/22/64/95/169226495.db2.gz CIZGSXHMFJQENT-GFCCVEGCSA-N 1 0 241.379 0.834 10 0 BCAERO CCCNC(=O)C[NH2+]C[C@@H]1CCC=CO1 ZINC000050267952 169226616 /nfs/dbraw/zinc/22/66/16/169226616.db2.gz JKLZLMYTQFOJQA-JTQLQIEISA-N 1 0 212.293 0.795 10 0 BCAERO CCCNC(=O)C[NH2+][C@H]1CCSC1 ZINC000035135824 169229056 /nfs/dbraw/zinc/22/90/56/169229056.db2.gz FPXLPADGZYEQOC-QMMMGPOBSA-N 1 0 202.323 0.608 10 0 BCAERO CCCNC(=O)CN[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000049565476 169229637 /nfs/dbraw/zinc/22/96/37/169229637.db2.gz CUBFMNHYLPXJBG-VXGBXAGGSA-N 1 0 239.363 0.729 10 0 BCAERO CCCNC(=O)CCNC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000091546890 169215877 /nfs/dbraw/zinc/21/58/77/169215877.db2.gz NVRFQWJPAOLOBJ-NXEZZACHSA-N 1 0 241.335 0.146 10 0 BCAERO c1cc(N2CCCC2)nc(N2CCC[NH2+]CC2)n1 ZINC000045948343 183355897 /nfs/dbraw/zinc/35/58/97/183355897.db2.gz QIJAYYUJLUPVCL-UHFFFAOYSA-N 1 0 247.346 0.877 10 0 BCAERO CCCNC(=O)CC[NH2+]C[C@@H]1CCCCN1C ZINC000054243785 169217442 /nfs/dbraw/zinc/21/74/42/169217442.db2.gz UMDGAGPRRWLMTB-LBPRGKRZSA-N 1 0 241.379 0.977 10 0 BCAERO CCCNC(=O)CN(C)[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000042517573 169218730 /nfs/dbraw/zinc/21/87/30/169218730.db2.gz GDGJSNDWYOJIKH-VXGBXAGGSA-N 1 0 241.379 0.962 10 0 BCAERO CCC[NH2+]CC(=O)N1CCn2ccnc2C1 ZINC000062254655 169255968 /nfs/dbraw/zinc/25/59/68/169255968.db2.gz SZFOCBKMILZTIM-UHFFFAOYSA-N 1 0 222.292 0.225 10 0 BCAERO c1cc(CN2CC[NH2+]CC2)cc2n[nH]nc12 ZINC000070953993 183365493 /nfs/dbraw/zinc/36/54/93/183365493.db2.gz FMMAEFIGVNBVRP-UHFFFAOYSA-N 1 0 217.276 0.363 10 0 BCAERO CCC[NH2+]CCNc1ncnc2c1cnn2C ZINC000054267437 169260626 /nfs/dbraw/zinc/26/06/26/169260626.db2.gz CMMNXSWTTWRIRT-UHFFFAOYSA-N 1 0 234.307 0.775 10 0 BCAERO CCCNC(=O)[C@@H](C)NCCC[NH+]1CCCC1 ZINC000042220703 169242865 /nfs/dbraw/zinc/24/28/65/169242865.db2.gz HLXZGJXVYIGMAY-GFCCVEGCSA-N 1 0 241.379 0.977 10 0 BCAERO CCCNC(=O)[C@H](C)[NH2+][C@@H](C)COC ZINC000034937689 169246171 /nfs/dbraw/zinc/24/61/71/169246171.db2.gz JREWFMLGVHCSTN-IUCAKERBSA-N 1 0 202.298 0.526 10 0 BCAERO CCCNC(=O)[C@H](C)NC1CC[NH2+]CC1 ZINC000038040999 169246577 /nfs/dbraw/zinc/24/65/77/169246577.db2.gz GKZCKIFSNSGAIE-VIFPVBQESA-N 1 0 213.325 0.243 10 0 BCAERO CCCNC(=O)[C@H](C)N1CC[NH2+]C[C@@H]1C ZINC000054374380 169246901 /nfs/dbraw/zinc/24/69/01/169246901.db2.gz MGAYFBPYSFCFEI-UWVGGRQHSA-N 1 0 213.325 0.195 10 0 BCAERO CCC[NH2+][C@H](C(N)=O)c1ccc(O)c(OC)c1 ZINC000037946370 169285153 /nfs/dbraw/zinc/28/51/53/169285153.db2.gz BYQPUCDUGXNBDF-NSHDSACASA-N 1 0 238.287 0.927 10 0 BCAERO CCC[NH2+][C@H](C)CN1C(=O)CCCC1=O ZINC000043999050 169285998 /nfs/dbraw/zinc/28/59/98/169285998.db2.gz RXLVYIZZYUUDLC-SECBINFHSA-N 1 0 212.293 0.914 10 0 BCAERO CCC[NH2+][C@H](C)CN1C(=O)C[C@@H](C)C1=O ZINC000104080658 169286313 /nfs/dbraw/zinc/28/63/13/169286313.db2.gz CRTYWIOTDBPNQW-RKDXNWHRSA-N 1 0 212.293 0.770 10 0 BCAERO c1ccc(-n2nnnc2N[C@@H]2CC[NH2+]C2)cc1 ZINC000052093916 183387595 /nfs/dbraw/zinc/38/75/95/183387595.db2.gz OLXZBPXMIIAQRJ-SECBINFHSA-N 1 0 230.275 0.436 10 0 BCAERO CCCOCC(=O)N1CCC[C@H]1C[NH3+] ZINC000226279649 169303715 /nfs/dbraw/zinc/30/37/15/169303715.db2.gz AAKLDTCIDIUDEB-VIFPVBQESA-N 1 0 200.282 0.363 10 0 BCAERO CCCOCC(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000193533751 169306878 /nfs/dbraw/zinc/30/68/78/169306878.db2.gz BETYOTVGOSQVIN-UWVGGRQHSA-N 1 0 214.309 0.670 10 0 BCAERO CCCOCCOC[C@](C)([NH2+]C1CC1)C(N)=O ZINC000104230179 169309545 /nfs/dbraw/zinc/30/95/45/169309545.db2.gz JCFGLKQRHASEBO-LBPRGKRZSA-N 1 0 244.335 0.426 10 0 BCAERO CCC[NH2+][C@H]1CCOC[C@@H]1S(C)(=O)=O ZINC000054930633 169291397 /nfs/dbraw/zinc/29/13/97/169291397.db2.gz CSOZMUFOHWXPNB-IUCAKERBSA-N 1 0 221.322 0.188 10 0 BCAERO CCC[NH2+][C@H]1CCC[C@@H]1S(C)(=O)=O ZINC000054930523 169291565 /nfs/dbraw/zinc/29/15/65/169291565.db2.gz LBIVKHXNMLNVKT-IUCAKERBSA-N 1 0 205.323 0.952 10 0 BCAERO CCC[NH2+][C@](C)(Cn1cnc(C)c1C)C(N)=O ZINC000051928194 169293900 /nfs/dbraw/zinc/29/39/00/169293900.db2.gz MOUZOXDAYGKYRP-GFCCVEGCSA-N 1 0 238.335 0.744 10 0 BCAERO CCC[C@@H](C(=O)N(C)CC(=O)OCC)[NH+](C)C ZINC000122294089 169343252 /nfs/dbraw/zinc/34/32/52/169343252.db2.gz PVKZEGQKEYDEEL-JTQLQIEISA-N 1 0 244.335 0.738 10 0 BCAERO CCCS(=O)(=O)N1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040749822 169331853 /nfs/dbraw/zinc/33/18/53/169331853.db2.gz VRUUZGQXJDDZMK-PBINXNQUSA-N 1 0 232.349 0.680 10 0 BCAERO CCC[C@@H](C(=O)NC[C@](C)(O)CC)[NH+](C)C ZINC000120827165 169344710 /nfs/dbraw/zinc/34/47/10/169344710.db2.gz LUPPOLPPQHIMOJ-CMPLNLGQSA-N 1 0 230.352 0.994 10 0 BCAERO CCC[C@@H](C)[N@H+](C)C[C@@H](N)C(=O)OCC ZINC000222988464 169365096 /nfs/dbraw/zinc/36/50/96/169365096.db2.gz CQIAYSISEVSGRU-NXEZZACHSA-N 1 0 216.325 0.997 10 0 BCAERO CCC[C@@H](C)NC(=O)C[NH2+][C@H](C)C(=O)N(C)C ZINC000049288312 169367690 /nfs/dbraw/zinc/36/76/90/169367690.db2.gz HUESJHVSGHHJLV-NXEZZACHSA-N 1 0 243.351 0.358 10 0 BCAERO CCC[C@@H](C(=O)N[C@H](CC)CO)[NH+](C)C ZINC000123883254 169345529 /nfs/dbraw/zinc/34/55/29/169345529.db2.gz UFLTXDGCEACHQP-ZJUUUORDSA-N 1 0 216.325 0.604 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)N1CCO[C@@H](C)C1 ZINC000036872617 169387876 /nfs/dbraw/zinc/38/78/76/169387876.db2.gz HVXGXZAATBBIGG-DTWKUNHWSA-N 1 0 200.282 0.361 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)N1CCC[C@@H](O)C1 ZINC000037507243 169387896 /nfs/dbraw/zinc/38/78/96/169387896.db2.gz DCONWMGUAQOISK-RKDXNWHRSA-N 1 0 200.282 0.097 10 0 BCAERO CCC[C@@H](C[NH3+])CC(=O)N1CCN(CC)CC1 ZINC000076624022 169383886 /nfs/dbraw/zinc/38/38/86/169383886.db2.gz VRRAAYDYRVEZHP-GFCCVEGCSA-N 1 0 241.379 0.916 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)N(CCC)CC(=O)N(C)C ZINC000038101145 169386693 /nfs/dbraw/zinc/38/66/93/169386693.db2.gz YAEGQFIONHUIOO-SNVBAGLBSA-N 1 0 243.351 0.441 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)N(CC(N)=O)C1CCCC1 ZINC000037813916 169387006 /nfs/dbraw/zinc/38/70/06/169387006.db2.gz KSVRVDQMBISNBV-SNVBAGLBSA-N 1 0 241.335 0.370 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)NCC(=O)N1CCCCC1 ZINC000134451364 169389501 /nfs/dbraw/zinc/38/95/01/169389501.db2.gz JVEGPSOAFFSUQE-SNVBAGLBSA-N 1 0 241.335 0.243 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)NCC[S@@](=O)C(C)(C)C ZINC000236948563 169389944 /nfs/dbraw/zinc/38/99/44/169389944.db2.gz INZLEYRQROQGBK-JDNHERCYSA-N 1 0 248.392 0.777 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)NC[C@H](C)Cn1cccn1 ZINC000236958085 169389948 /nfs/dbraw/zinc/38/99/48/169389948.db2.gz FNVVQIFKIFBKNZ-WDEREUQCSA-N 1 0 238.335 0.763 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)NCCCOCCOC ZINC000040829937 169389311 /nfs/dbraw/zinc/38/93/11/169389311.db2.gz QOTHHUQFCNJZNX-SNVBAGLBSA-N 1 0 232.324 0.283 10 0 BCAERO c1nc2n(n1)C[C@H]([NH2+]C[C@H]1CCSC1)CC2 ZINC000309629968 183541371 /nfs/dbraw/zinc/54/13/71/183541371.db2.gz QYMCEZATMFMIJU-NXEZZACHSA-N 1 0 238.360 0.936 10 0 BCAERO CC(C)(C)OC(=O)N1CCC(=O)[C@H](C[NH3+])C1 ZINC000082350661 166646823 /nfs/dbraw/zinc/64/68/23/166646823.db2.gz RKGIVUFQVIXELB-MRVPVSSYSA-N 1 0 228.292 0.771 10 0 BCAERO CCC[C@@H]1NC(=O)N(CCCC[NH3+])C1=O ZINC000019384849 169443479 /nfs/dbraw/zinc/44/34/79/169443479.db2.gz IASFGMWCULDNHS-QMMMGPOBSA-N 1 0 213.281 0.446 10 0 BCAERO CO[C@@H](C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000182041728 134341744 /nfs/dbraw/zinc/34/17/44/134341744.db2.gz ASJUIMFTZNLNMQ-VHSXEESVSA-N 1 0 214.309 0.574 10 0 BCAERO CC(C)(C)OC(=O)N1CC[C@@H](O)[C@H](C[NH3+])C1 ZINC000082347420 166652395 /nfs/dbraw/zinc/65/23/95/166652395.db2.gz RIMYCVANDMMPSG-RKDXNWHRSA-N 1 0 230.308 0.563 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N[C@H](C)C(=O)N[C@H](C)CC ZINC000246897727 169502091 /nfs/dbraw/zinc/50/20/91/169502091.db2.gz VMAWAWFCLOAAOD-BBBLOLIVSA-N 1 0 243.351 0.533 10 0 BCAERO CC(C)(C)OC(=O)NC1CN([C@H]2CC[NH2+]C2)C1 ZINC000039952033 166660217 /nfs/dbraw/zinc/66/02/17/166660217.db2.gz NRRMGJKPWGLLNO-JTQLQIEISA-N 1 0 241.335 0.557 10 0 BCAERO CCC[C@]1(C(=O)N[C@H](C)C(N)=O)CCC[NH2+]C1 ZINC000062853918 169555545 /nfs/dbraw/zinc/55/55/45/169555545.db2.gz CWLYRGXQOMINCI-SKDRFNHKSA-N 1 0 241.335 0.146 10 0 BCAERO CCCc1cc(=O)[nH]c(N[C@H]2CCC[NH2+]C2)n1 ZINC000057329558 169562186 /nfs/dbraw/zinc/56/21/86/169562186.db2.gz MPTAJANADWPWQZ-JTQLQIEISA-N 1 0 236.319 0.886 10 0 BCAERO CCCc1nc(C2(N)CC[NH2+]CC2)no1 ZINC000040695470 169587923 /nfs/dbraw/zinc/58/79/23/169587923.db2.gz TZGAGSJJWXQINC-UHFFFAOYSA-N 1 0 210.281 0.560 10 0 BCAERO C[C@@H]1CN(C[C@@H](O)C(F)(F)F)C[C@@H]1[NH+](C)C ZINC000226091181 134358657 /nfs/dbraw/zinc/35/86/57/134358657.db2.gz GURMGGMHBJAJHR-HRDYMLBCSA-N 1 0 240.269 0.792 10 0 BCAERO CCN(C(=O)CN[C@@H](C)CC[NH+](C)C)C1CC1 ZINC000049557085 169636069 /nfs/dbraw/zinc/63/60/69/169636069.db2.gz RYPOIJAMSOEZAF-NSHDSACASA-N 1 0 241.379 0.927 10 0 BCAERO CCN(CCO)C(=O)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000037809350 169849677 /nfs/dbraw/zinc/84/96/77/169849677.db2.gz WHLWSGZIICXWOA-ZDUSSCGKSA-N 1 0 248.326 0.542 10 0 BCAERO CCN(CCO)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000037900560 169849618 /nfs/dbraw/zinc/84/96/18/169849618.db2.gz IUJZGLTZAADYCL-UHFFFAOYSA-N 1 0 237.303 0.991 10 0 BCAERO CCN(C(=O)[C@H]1C[C@H](O)C[NH2+]1)C1CCCC1 ZINC000035766311 169654290 /nfs/dbraw/zinc/65/42/90/169654290.db2.gz CZEKAANUVUFKEV-WDEREUQCSA-N 1 0 226.320 0.500 10 0 BCAERO CCN(C(=O)[C@H]1CCOC1)C1CC[NH2+]CC1 ZINC000040930237 169653721 /nfs/dbraw/zinc/65/37/21/169653721.db2.gz CZSNTVMYWZAJEP-JTQLQIEISA-N 1 0 226.320 0.623 10 0 BCAERO CCN(CCO)C(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000055088365 169850828 /nfs/dbraw/zinc/85/08/28/169850828.db2.gz KHVXPSOUAYRCAF-UWVGGRQHSA-N 1 0 214.309 0.345 10 0 BCAERO COCC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000226640079 134368373 /nfs/dbraw/zinc/36/83/73/134368373.db2.gz JTFINIXQXKPMOY-UWVGGRQHSA-N 1 0 212.293 0.328 10 0 BCAERO Cc1nccc(C[NH2+]C[C@@]2(O)CCO[C@@H]2C)n1 ZINC000227126788 134376476 /nfs/dbraw/zinc/37/64/76/134376476.db2.gz IOUCGAXUZBAFLI-SKDRFNHKSA-N 1 0 237.303 0.415 10 0 BCAERO CCC[C@H](C(=O)N[C@H]1C[C@@H](O)C1(C)C)[NH+](C)C ZINC000250126228 259638854 /nfs/dbraw/zinc/63/88/54/259638854.db2.gz WGBANSYXPRVSEP-OUAUKWLOSA-N 1 0 242.363 0.992 10 0 BCAERO O=C(C[N@H+]1CC[C@@H](CCO)C1)N1CCCCC1 ZINC000227566147 134383286 /nfs/dbraw/zinc/38/32/86/134383286.db2.gz RBZYJQDDIKBXSR-LBPRGKRZSA-N 1 0 240.347 0.703 10 0 BCAERO C[C@@H]1CCN(C(=O)[C@@H]2C[NH2+]CCOC2)[C@H]1C ZINC000643731754 383859814 /nfs/dbraw/zinc/85/98/14/383859814.db2.gz XSEDLRALCYDADK-OUAUKWLOSA-N 1 0 226.320 0.479 10 0 BCAERO COC[C@@]1(C(=O)N2CCCCC2)CCC[NH2+]1 ZINC000643737813 383926003 /nfs/dbraw/zinc/92/60/03/383926003.db2.gz QTLONZDSQUASPA-GFCCVEGCSA-N 1 0 226.320 0.768 10 0 BCAERO COC(=O)c1ccc(NCC(N)=[NH2+])cc1 ZINC000001564432 383904447 /nfs/dbraw/zinc/90/44/47/383904447.db2.gz OSBFMXJKCBWPPK-UHFFFAOYSA-N 1 0 207.233 0.821 10 0 BCAERO CN(C1(C[NH3+])CCCC1)S(C)(=O)=O ZINC000050093107 383906390 /nfs/dbraw/zinc/90/63/90/383906390.db2.gz HHHDMSNBWLPTQX-UHFFFAOYSA-N 1 0 206.311 0.149 10 0 BCAERO C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CN(C)CCO2)CO1 ZINC000401772273 383981008 /nfs/dbraw/zinc/98/10/08/383981008.db2.gz AEHOOKPXBHJSLC-GMTAPVOTSA-N 1 0 214.309 0.084 10 0 BCAERO Cc1n[nH]cc1C(=O)N1C[C@@H](C)[C@@H]([NH+](C)C)C1 ZINC000089710057 383990460 /nfs/dbraw/zinc/99/04/60/383990460.db2.gz MPLGQGAOFYAOCU-KCJUWKMLSA-N 1 0 236.319 0.740 10 0 BCAERO O=C(NC1CCCCC1)[C@@H]1C[NH2+]CCOC1 ZINC000643613670 383994106 /nfs/dbraw/zinc/99/41/06/383994106.db2.gz AUIONSUEUCWCDV-SNVBAGLBSA-N 1 0 226.320 0.671 10 0 BCAERO COC[C@]1(C(=O)NC[C@H]2CCCO2)CCC[NH2+]1 ZINC000643614305 383995335 /nfs/dbraw/zinc/99/53/35/383995335.db2.gz QYLWJCOTMVHZDK-PWSUYJOCSA-N 1 0 242.319 0.050 10 0 BCAERO C[C@@H]1C[C@@H](C)CN(C(=O)[C@@H]2C[NH2+]CCOC2)C1 ZINC000643614574 384016867 /nfs/dbraw/zinc/01/68/67/384016867.db2.gz CEPKNVADGACMKW-IJLUTSLNSA-N 1 0 240.347 0.727 10 0 BCAERO CCN(CC)C(=O)[C@]1(COC)CCC[NH2+]1 ZINC000643614896 384017095 /nfs/dbraw/zinc/01/70/95/384017095.db2.gz PATWIMSKAIUUDL-LLVKDONJSA-N 1 0 214.309 0.623 10 0 BCAERO C[C@@H]1C[C@@H](C)CN(C(=O)[C@H]2C[NH2+]CCOC2)C1 ZINC000643614576 384018826 /nfs/dbraw/zinc/01/88/26/384018826.db2.gz CEPKNVADGACMKW-UTUOFQBUSA-N 1 0 240.347 0.727 10 0 BCAERO CCOCCCNC(=O)[C@@]1(COC)CCC[NH2+]1 ZINC000643616116 384007511 /nfs/dbraw/zinc/00/75/11/384007511.db2.gz JOKJOPBTMIYZRP-LBPRGKRZSA-N 1 0 244.335 0.298 10 0 BCAERO Cc1ccc(CNC(=O)[C@H]2C[NH2+]CCOC2)cc1 ZINC000643617145 384009618 /nfs/dbraw/zinc/00/96/18/384009618.db2.gz RZVWBFSYJPZKQT-ZDUSSCGKSA-N 1 0 248.326 0.847 10 0 BCAERO CC(C)OCCCNC(=O)[C@H]1C[NH2+]CCOC1 ZINC000643617067 384010213 /nfs/dbraw/zinc/01/02/13/384010213.db2.gz PVVDPKAZQMQFSW-NSHDSACASA-N 1 0 244.335 0.154 10 0 BCAERO CC(C)[C@@H](C)NC(=O)[C@@H]1C[NH2+]CCOC1 ZINC000643617764 384013626 /nfs/dbraw/zinc/01/36/26/384013626.db2.gz OLRGTQRGJRSTCE-NXEZZACHSA-N 1 0 214.309 0.383 10 0 BCAERO Cn1cncc1[C@@H]1[C@@H]([NH3+])CCC(=O)N1C1CC1 ZINC000090166892 384031400 /nfs/dbraw/zinc/03/14/00/384031400.db2.gz UIRUZPCIRDZFOC-CABZTGNLSA-N 1 0 234.303 0.573 10 0 BCAERO C[C@H](NC1=[NH+]CCS1)c1nncn1C ZINC000050420780 384039746 /nfs/dbraw/zinc/03/97/46/384039746.db2.gz NMQMKKDNWRPEEF-LURJTMIESA-N 1 0 211.294 0.569 10 0 BCAERO O=C(NC1(C2CC2)CC1)[C@H]1C[NH2+]CCOC1 ZINC000643704181 384083603 /nfs/dbraw/zinc/08/36/03/384083603.db2.gz LVDIYTIYJFIXQF-VIFPVBQESA-N 1 0 224.304 0.281 10 0 BCAERO COC[C@]1(C(=O)NCCOC(C)C)CCC[NH2+]1 ZINC000643779421 384058288 /nfs/dbraw/zinc/05/82/88/384058288.db2.gz AHOZFWPLMJXXOE-LBPRGKRZSA-N 1 0 244.335 0.296 10 0 BCAERO CC(C)N1CC[C@@H](NC[C@H]2CCC[NH2+]C2)C1=O ZINC000569455974 384062761 /nfs/dbraw/zinc/06/27/61/384062761.db2.gz FRBCNMDBRJBVEB-NWDGAFQWSA-N 1 0 239.363 0.585 10 0 BCAERO CC[C@H]([NH2+]C[C@@H]1CN(C)CCO1)[C@@H]1CCOC1 ZINC000310161000 384072896 /nfs/dbraw/zinc/07/28/96/384072896.db2.gz LZVODWRDTNLSRK-UPJWGTAASA-N 1 0 242.363 0.722 10 0 BCAERO [NH3+]C[C@@H]1CC(=O)N(CCOC2CCCC2)C1 ZINC000070052641 384075811 /nfs/dbraw/zinc/07/58/11/384075811.db2.gz DIBUNZDXQQYXOK-JTQLQIEISA-N 1 0 226.320 0.753 10 0 BCAERO COC[C@@]1(C(=O)N[C@H](C)C2CC2)CCC[NH2+]1 ZINC000643621823 384096088 /nfs/dbraw/zinc/09/60/88/384096088.db2.gz ALCYQWFNIUGIGP-BXKDBHETSA-N 1 0 226.320 0.670 10 0 BCAERO CC(C)(C)[C@H](O)Cn1cc(C(C)(C)[NH3+])nn1 ZINC000304240496 384099173 /nfs/dbraw/zinc/09/91/73/384099173.db2.gz NRFUZIVZZGYEKP-SECBINFHSA-N 1 0 226.324 0.879 10 0 BCAERO COC[C@@]1(C(=O)NCC(C)(C)OC)CCC[NH2+]1 ZINC000643705561 384111242 /nfs/dbraw/zinc/11/12/42/384111242.db2.gz VRBUJSBEJIVJIN-GFCCVEGCSA-N 1 0 244.335 0.296 10 0 BCAERO O=c1ccc(C[NH2+]Cc2ccc(=O)[nH]c2)c[nH]1 ZINC000091366334 384123068 /nfs/dbraw/zinc/12/30/68/384123068.db2.gz MXXOHZRBCRLYND-UHFFFAOYSA-N 1 0 231.255 0.353 10 0 BCAERO Nc1ncc([C@@](O)(C[NH3+])C(F)(F)F)s1 ZINC000039947689 384124561 /nfs/dbraw/zinc/12/45/61/384124561.db2.gz JMMQXMOHKLQRIM-YFKPBYRVSA-N 1 0 227.211 0.434 10 0 BCAERO C[C@@H]1CC[C@H](C)N(C(=O)[C@H]2C[NH2+]CCOC2)C1 ZINC000643706367 384127725 /nfs/dbraw/zinc/12/77/25/384127725.db2.gz USAFBSDXRCDBOP-WOPDTQHZSA-N 1 0 240.347 0.869 10 0 BCAERO CC[N@@H+]1C[C@@H](CO)[C@H](c2nc(C3CC3)no2)C1 ZINC000257193228 384128064 /nfs/dbraw/zinc/12/80/64/384128064.db2.gz RKZOYSWAKSGHNR-VHSXEESVSA-N 1 0 237.303 0.975 10 0 BCAERO Cn1cc([C@H]2CC[N@H+](CCCCO)C2)cn1 ZINC000116316906 384129439 /nfs/dbraw/zinc/12/94/39/384129439.db2.gz OJYAPFKVKIGVPR-NSHDSACASA-N 1 0 223.320 0.982 10 0 BCAERO Nc1ncnc2c1cnn2C1CC[NH2+]CC1 ZINC000116366052 384130865 /nfs/dbraw/zinc/13/08/65/384130865.db2.gz VTVXDLZJUJQCPO-UHFFFAOYSA-N 1 0 218.264 0.333 10 0 BCAERO CN(C[C@@H]1CCC[C@@H]1O)C(=O)[C@H]1CC[NH2+]C1 ZINC000648167044 384151315 /nfs/dbraw/zinc/15/13/15/384151315.db2.gz QFUHHMDYQWAHPI-DCAQKATOSA-N 1 0 226.320 0.215 10 0 BCAERO CN(C[C@@H]1CCC[C@H]1O)C(=O)[C@H]1CC[NH2+]C1 ZINC000648167045 384151858 /nfs/dbraw/zinc/15/18/58/384151858.db2.gz QFUHHMDYQWAHPI-GARJFASQSA-N 1 0 226.320 0.215 10 0 BCAERO C[NH+](C)C[C@@H]1CN(C(=O)c2cc[nH]c2)CCO1 ZINC000116789201 384154529 /nfs/dbraw/zinc/15/45/29/384154529.db2.gz YZVCMLLQTHZTCF-LLVKDONJSA-N 1 0 237.303 0.417 10 0 BCAERO C[NH+](C)C[C@@H]1CN(C(=O)c2ccccn2)CCO1 ZINC000116796490 384154618 /nfs/dbraw/zinc/15/46/18/384154618.db2.gz DUXVTYUIIDADGE-LLVKDONJSA-N 1 0 249.314 0.484 10 0 BCAERO CCC[C@](C)([NH3+])C(=O)N[C@H](C)[C@@H](C)CO ZINC000163238717 384184363 /nfs/dbraw/zinc/18/43/63/384184363.db2.gz OQEGGCOCPVSMPN-NGZCFLSTSA-N 1 0 216.325 0.637 10 0 BCAERO [NH3+][C@H]1CCn2c1nc1ccc(F)cc1c2=O ZINC000072266457 384203614 /nfs/dbraw/zinc/20/36/14/384203614.db2.gz MXGZGLAPRYAQQK-QMMMGPOBSA-N 1 0 219.219 0.939 10 0 BCAERO COC[C@]1(C(=O)Nc2ccnn2C)CCC[NH2+]1 ZINC000643629633 384192018 /nfs/dbraw/zinc/19/20/18/384192018.db2.gz SLFSKUDJTRUSCO-NSHDSACASA-N 1 0 238.291 0.127 10 0 BCAERO CCCCOC[C@H](O)C[N@@H+]1CC[C@@H]([C@@H](C)O)C1 ZINC000227907845 134399071 /nfs/dbraw/zinc/39/90/71/134399071.db2.gz XQMUGSKTIXWQPP-JHJVBQTASA-N 1 0 245.363 0.867 10 0 BCAERO COC[C@@]1(C(=O)N(C)C2CC2)CCC[NH2+]1 ZINC000643637606 384235292 /nfs/dbraw/zinc/23/52/92/384235292.db2.gz HNJGQSUERIJTGK-LLVKDONJSA-N 1 0 212.293 0.376 10 0 BCAERO Cn1cccc1C[NH2+][C@H]1CCc2ncnn2C1 ZINC000119121572 384236004 /nfs/dbraw/zinc/23/60/04/384236004.db2.gz DRRWMPUMSSJILP-JTQLQIEISA-N 1 0 231.303 0.721 10 0 BCAERO Cc1ccc(O)c(C[NH2+][C@H]2CCC(=O)N[C@H]2C)n1 ZINC000282334326 384238553 /nfs/dbraw/zinc/23/85/53/384238553.db2.gz LTBHPPZMPLZTOF-UWVGGRQHSA-N 1 0 249.314 0.852 10 0 BCAERO Cn1cc([C@H]2CCC[N@@H+]2CCOCCO)cn1 ZINC000132915515 384214264 /nfs/dbraw/zinc/21/42/64/384214264.db2.gz MPLDAIZETAXZPZ-GFCCVEGCSA-N 1 0 239.319 0.566 10 0 BCAERO CSCCC(=O)N1CCC[C@@H]1C[NH3+] ZINC000132880814 384218371 /nfs/dbraw/zinc/21/83/71/384218371.db2.gz YVXKIGBNOQFGCN-MRVPVSSYSA-N 1 0 202.323 0.689 10 0 BCAERO [NH3+][C@@H](CNC(=O)CC(F)(F)F)C1CC1 ZINC000082590824 384244172 /nfs/dbraw/zinc/24/41/72/384244172.db2.gz DAIHROFMVDQNTF-LURJTMIESA-N 1 0 210.199 0.792 10 0 BCAERO Cc1cnn(CC[NH2+][C@H]2CO[C@@H](C)C2)c1 ZINC000401909274 384246547 /nfs/dbraw/zinc/24/65/47/384246547.db2.gz JLQBCIWVFCFAGG-WDEREUQCSA-N 1 0 209.293 0.959 10 0 BCAERO CC[C@H]([NH3+])CNc1ccnc(N(C)C)n1 ZINC000082924393 384277431 /nfs/dbraw/zinc/27/74/31/384277431.db2.gz HMVIKMJBTWMBRV-QMMMGPOBSA-N 1 0 209.297 0.692 10 0 BCAERO COC[C@@]1(C(=O)NC2CCC2)CCC[NH2+]1 ZINC000643640422 384262406 /nfs/dbraw/zinc/26/24/06/384262406.db2.gz NYNBQADDNUJXBI-LLVKDONJSA-N 1 0 212.293 0.424 10 0 BCAERO Clc1cncnc1NC[C@@H]1C[NH2+]CCO1 ZINC000163698665 384266943 /nfs/dbraw/zinc/26/69/43/384266943.db2.gz KWZKVKXAEVTBIM-ZETCQYMHSA-N 1 0 228.683 0.530 10 0 BCAERO CN(C[C@H]1CCOC1)C(=O)[C@H]1CCC[NH2+]C1 ZINC000119892392 384314483 /nfs/dbraw/zinc/31/44/83/384314483.db2.gz ZYUWJNKDZRWLNH-MNOVXSKESA-N 1 0 226.320 0.481 10 0 BCAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)c1cncc(F)c1 ZINC000335550886 384320620 /nfs/dbraw/zinc/32/06/20/384320620.db2.gz CUDAEDNSJHRISE-XCBNKYQSSA-N 1 0 223.251 0.782 10 0 BCAERO COCCC1(C(=O)N[C@@H]2C[C@@H]2C)CC[NH2+]CC1 ZINC000643644059 384280307 /nfs/dbraw/zinc/28/03/07/384280307.db2.gz COSQVCBOYDOACK-WDEREUQCSA-N 1 0 240.347 0.917 10 0 BCAERO COC[C@]1(C(=O)N[C@H]2C[C@@H]2C)CCC[NH2+]1 ZINC000643644178 384280480 /nfs/dbraw/zinc/28/04/80/384280480.db2.gz JRVPGDNJUGNMLX-QXEWZRGKSA-N 1 0 212.293 0.280 10 0 BCAERO COC[C@]1(C(=O)N[C@H]2C[C@H]2C)CCC[NH2+]1 ZINC000643644179 384281449 /nfs/dbraw/zinc/28/14/49/384281449.db2.gz JRVPGDNJUGNMLX-YWVKMMECSA-N 1 0 212.293 0.280 10 0 BCAERO CO[C@@H]1C[C@@H](CO)[N@H+](Cc2ncccc2C)C1 ZINC000284684760 384285612 /nfs/dbraw/zinc/28/56/12/384285612.db2.gz YKYUHNLRSVDGMN-NWDGAFQWSA-N 1 0 236.315 0.972 10 0 BCAERO CC[C@@H](O)C[NH+]1CCN(CCCCOC)CC1 ZINC000174081569 384300828 /nfs/dbraw/zinc/30/08/28/384300828.db2.gz BQLCOSCHEHEWQQ-CYBMUJFWSA-N 1 0 244.379 0.802 10 0 BCAERO CCC[C@H](C(=O)N1CC[C@@](C)(O)C1)[NH+](C)C ZINC000179528636 384303657 /nfs/dbraw/zinc/30/36/57/384303657.db2.gz KNHKHLYDDALVLF-ZYHUDNBSSA-N 1 0 228.336 0.700 10 0 BCAERO CCC[C@H](C(=O)N1CC[C@](C)(O)C1)[NH+](C)C ZINC000179528719 384303872 /nfs/dbraw/zinc/30/38/72/384303872.db2.gz KNHKHLYDDALVLF-PWSUYJOCSA-N 1 0 228.336 0.700 10 0 BCAERO CN(CC(=O)c1nccs1)[C@@H]1CC[NH2+]C1 ZINC000095070709 384336598 /nfs/dbraw/zinc/33/65/98/384336598.db2.gz YQOAMHZEOAMPEK-MRVPVSSYSA-N 1 0 225.317 0.620 10 0 BCAERO O=[S@@](C[C@H]1CCC[NH2+]1)c1cc(Cl)ncn1 ZINC000095070432 384337177 /nfs/dbraw/zinc/33/71/77/384337177.db2.gz BELSDFYULHKNNY-KWKYVRJSSA-N 1 0 245.735 0.990 10 0 BCAERO Clc1nccc(CN[C@@H]2CC[NH2+]C2)n1 ZINC000095070297 384337309 /nfs/dbraw/zinc/33/73/09/384337309.db2.gz LOWBPFCLJBFDSR-SSDOTTSWSA-N 1 0 212.684 0.582 10 0 BCAERO Cc1ccnc(N(C)C[C@H]2CC[NH2+]C2)n1 ZINC000095071223 384339167 /nfs/dbraw/zinc/33/91/67/384339167.db2.gz MFIMGZULGOQAPE-JTQLQIEISA-N 1 0 206.293 0.831 10 0 BCAERO C[N@H+](CCCCCO)[C@H]1CCC[C@H]1O ZINC000300278445 384339254 /nfs/dbraw/zinc/33/92/54/384339254.db2.gz WBFWFGBIKCTUHD-WDEREUQCSA-N 1 0 201.310 0.994 10 0 BCAERO CN(C[C@H]1CCCC[NH2+]1)C(=O)c1cnccn1 ZINC000095070763 384339403 /nfs/dbraw/zinc/33/94/03/384339403.db2.gz DKSQWUTXFVBTEI-SNVBAGLBSA-N 1 0 234.303 0.691 10 0 BCAERO COc1ccc(OC2COC2)c(C[NH3+])c1 ZINC000308640354 384340388 /nfs/dbraw/zinc/34/03/88/384340388.db2.gz CSHYBSJTOVNMSX-UHFFFAOYSA-N 1 0 209.245 0.932 10 0 BCAERO O=[S@](C[C@@H]1CCC[NH2+]C1)c1ncc(F)cn1 ZINC000095072007 384340951 /nfs/dbraw/zinc/34/09/51/384340951.db2.gz GZNRMAUCXBALPM-BCTVWOGZSA-N 1 0 243.307 0.723 10 0 BCAERO COc1nccnc1CNC[C@H]1CCC[NH2+]C1 ZINC000095071634 384341119 /nfs/dbraw/zinc/34/11/19/384341119.db2.gz MXUKPGFFXAXRFQ-JTQLQIEISA-N 1 0 236.319 0.574 10 0 BCAERO COc1nccnc1CNC[C@@H]1CCCC[NH2+]1 ZINC000095071629 384341154 /nfs/dbraw/zinc/34/11/54/384341154.db2.gz KSFHJPUHQJZEGB-JTQLQIEISA-N 1 0 236.319 0.717 10 0 BCAERO CSc1nccnc1CNC[C@H]1CC[NH2+]C1 ZINC000095071939 384341592 /nfs/dbraw/zinc/34/15/92/384341592.db2.gz GKIMCLVBXMWMNZ-VIFPVBQESA-N 1 0 238.360 0.898 10 0 BCAERO CSc1nccnc1CN(C)[C@H]1CC[NH2+]C1 ZINC000095071889 384341604 /nfs/dbraw/zinc/34/16/04/384341604.db2.gz VJKPUXWIKMGJGG-VIFPVBQESA-N 1 0 238.360 0.992 10 0 BCAERO CSc1nccc(N2CC[C@@H](C[NH3+])C2)n1 ZINC000095071845 384341750 /nfs/dbraw/zinc/34/17/50/384341750.db2.gz ITEKLZJHLNDXEP-QMMMGPOBSA-N 1 0 224.333 0.984 10 0 BCAERO CSc1nccnc1CN1CC[C@H]([NH3+])C1 ZINC000095071906 384341776 /nfs/dbraw/zinc/34/17/76/384341776.db2.gz DYGWKUMPKYZGEW-QMMMGPOBSA-N 1 0 224.333 0.732 10 0 BCAERO COc1nccnc1CNC[C@H]1CCCC[NH2+]1 ZINC000095071630 384341848 /nfs/dbraw/zinc/34/18/48/384341848.db2.gz KSFHJPUHQJZEGB-SNVBAGLBSA-N 1 0 236.319 0.717 10 0 BCAERO O=[S@](c1ncc(F)cn1)C1CC[NH2+]CC1 ZINC000095071996 384341962 /nfs/dbraw/zinc/34/19/62/384341962.db2.gz QUWIPJVCCMRFAV-OAHLLOKOSA-N 1 0 229.280 0.475 10 0 BCAERO C[NH2+][C@H]1CCCN(c2ncccc2O)C1 ZINC000095071432 384341988 /nfs/dbraw/zinc/34/19/88/384341988.db2.gz HGJSPNXYRUANGC-VIFPVBQESA-N 1 0 207.277 0.975 10 0 BCAERO O=C(CN[C@H]1CC[NH2+]C1)c1cccs1 ZINC000095072754 384344761 /nfs/dbraw/zinc/34/47/61/384344761.db2.gz XKQPGDDLTHVWSP-QMMMGPOBSA-N 1 0 210.302 0.882 10 0 BCAERO O=C(COC[C@H]1CCC[NH2+]1)c1cnccn1 ZINC000095072878 384344801 /nfs/dbraw/zinc/34/48/01/384344801.db2.gz DJCKKEADTXMEKS-SECBINFHSA-N 1 0 221.260 0.428 10 0 BCAERO [NH3+]C[C@H]1CCN(Cc2ccnc(Cl)n2)C1 ZINC000095072726 384344998 /nfs/dbraw/zinc/34/49/98/384344998.db2.gz XFPHYCZFTWHCCE-MRVPVSSYSA-N 1 0 226.711 0.911 10 0 BCAERO O=C(CN1CC[NH2+]CC1)c1nccs1 ZINC000095072760 384345086 /nfs/dbraw/zinc/34/50/86/384345086.db2.gz JUJCBDMFJGTKBW-UHFFFAOYSA-N 1 0 211.290 0.231 10 0 BCAERO O=S(=O)(c1cnccn1)[C@H]1CCC[NH2+]C1 ZINC000095073058 384345543 /nfs/dbraw/zinc/34/55/43/384345543.db2.gz TVVCXIGPUWRANU-QMMMGPOBSA-N 1 0 227.289 0.002 10 0 BCAERO O=S(=O)(c1cnccn1)C1CC[NH2+]CC1 ZINC000095073072 384345690 /nfs/dbraw/zinc/34/56/90/384345690.db2.gz GJLFFLWDEWUQSO-UHFFFAOYSA-N 1 0 227.289 0.002 10 0 BCAERO O=C(CNC[C@H]1CC[NH2+]C1)c1ccc[nH]1 ZINC000095072804 384346010 /nfs/dbraw/zinc/34/60/10/384346010.db2.gz KNLDJLNGMMISCD-VIFPVBQESA-N 1 0 207.277 0.397 10 0 BCAERO O=S(=O)(C[C@H]1CCCC[NH2+]1)c1cnccn1 ZINC000095073148 384346184 /nfs/dbraw/zinc/34/61/84/384346184.db2.gz UAKLVPQOBLSYPV-SECBINFHSA-N 1 0 241.316 0.392 10 0 BCAERO O=S(=O)(Cc1cncs1)C1CC[NH2+]CC1 ZINC000095073136 384346507 /nfs/dbraw/zinc/34/65/07/384346507.db2.gz GVGVUPNCZIAKHQ-UHFFFAOYSA-N 1 0 246.357 0.810 10 0 BCAERO O=C(CNC[C@H]1CCCC[NH2+]1)c1cnccn1 ZINC000095072776 384346578 /nfs/dbraw/zinc/34/65/78/384346578.db2.gz AQCDPSDQEHPFRN-SNVBAGLBSA-N 1 0 234.303 0.391 10 0 BCAERO O=S(=O)(CC1CC[NH2+]CC1)c1ccncc1 ZINC000095073260 384347681 /nfs/dbraw/zinc/34/76/81/384347681.db2.gz WZMPAEJRBWNZSS-UHFFFAOYSA-N 1 0 240.328 0.855 10 0 BCAERO O=[S@](C[C@H]1CCCC[NH2+]1)c1ncccn1 ZINC000095073491 384347723 /nfs/dbraw/zinc/34/77/23/384347723.db2.gz DKSUCBUHZHDLFK-PSLIRLAXSA-N 1 0 225.317 0.726 10 0 BCAERO O=[S@@](C[C@@H]1CCC[NH2+]1)c1ccncc1 ZINC000095073536 384347924 /nfs/dbraw/zinc/34/79/24/384347924.db2.gz UMMPFWIGTKLSNT-LKFCYVNXSA-N 1 0 210.302 0.941 10 0 BCAERO O=[S@](C[C@H]1CCC[NH2+]1)c1ccncc1 ZINC000095073539 384348673 /nfs/dbraw/zinc/34/86/73/384348673.db2.gz UMMPFWIGTKLSNT-OTYXRUKQSA-N 1 0 210.302 0.941 10 0 BCAERO O=[S@@](c1ccncc1)[C@@H]1CCC[NH2+]C1 ZINC000095073375 384348728 /nfs/dbraw/zinc/34/87/28/384348728.db2.gz FRMSITXZPHAAFP-QMTHXVAHSA-N 1 0 210.302 0.941 10 0 BCAERO O=[S@](C[C@H]1CC[NH2+]C1)c1ncccn1 ZINC000095073671 384349839 /nfs/dbraw/zinc/34/98/39/384349839.db2.gz HZCZWMPOXZVLFT-RTHLEPHNSA-N 1 0 211.290 0.194 10 0 BCAERO C[NH2+][C@@H](CCO)[C@@H]1COc2ccccc2O1 ZINC000095075740 384350190 /nfs/dbraw/zinc/35/01/90/384350190.db2.gz FCFPCDUIJMKLFZ-CABZTGNLSA-N 1 0 223.272 0.797 10 0 BCAERO O=[S@](Cc1ccccn1)C[C@H]1CC[NH2+]C1 ZINC000095073690 384350331 /nfs/dbraw/zinc/35/03/31/384350331.db2.gz IONLBQQPNWICFZ-ZUZCIYMTSA-N 1 0 224.329 0.940 10 0 BCAERO O=[S@](CC1CC[NH2+]CC1)c1cnccn1 ZINC000095073715 384351132 /nfs/dbraw/zinc/35/11/32/384351132.db2.gz XXLYACBBGPQMMH-HNNXBMFYSA-N 1 0 225.317 0.584 10 0 BCAERO Cc1cnn(CC[N@H+]2C[C@H](O)C[C@H](C)C2)c1 ZINC000335586099 384351372 /nfs/dbraw/zinc/35/13/72/384351372.db2.gz KOGHTEWZIGQBGV-CMPLNLGQSA-N 1 0 223.320 0.894 10 0 BCAERO CNS(=O)(=O)[C@H](C)c1nccn1C1CC1 ZINC000095075995 384351496 /nfs/dbraw/zinc/35/14/96/384351496.db2.gz XGCZEMKILANGQK-SSDOTTSWSA-N 1 0 229.305 0.828 10 0 BCAERO C[C@H]1C[C@H](O)C[N@H+](CC2(O)CCCC2)C1 ZINC000335586703 384351758 /nfs/dbraw/zinc/35/17/58/384351758.db2.gz ULXSZWOCRYEOLL-QWRGUYRKSA-N 1 0 213.321 0.994 10 0 BCAERO O=C(CN1CCC[NH2+]CC1)c1nccs1 ZINC000095077806 384353202 /nfs/dbraw/zinc/35/32/02/384353202.db2.gz FWAABWVIEJYFHH-UHFFFAOYSA-N 1 0 225.317 0.621 10 0 BCAERO C[C@H]1[C@H](O)CCC[N@@H+]1CC(=O)N1CCCCC1 ZINC000335595635 384364084 /nfs/dbraw/zinc/36/40/84/384364084.db2.gz FQRSAFGDXHLGFK-NWDGAFQWSA-N 1 0 240.347 0.844 10 0 BCAERO C[C@@H]1C[C@H]([NH2+]C2CCN(CCO)CC2)CO1 ZINC000401986247 384372745 /nfs/dbraw/zinc/37/27/45/384372745.db2.gz BZEMZVFYDDCBNN-PWSUYJOCSA-N 1 0 228.336 0.210 10 0 BCAERO CC[C@@H](NC(=O)[C@H]1C[NH2+]CCOC1)C(C)C ZINC000643658044 384372817 /nfs/dbraw/zinc/37/28/17/384372817.db2.gz NMKHMSOYYUSSDA-WDEREUQCSA-N 1 0 228.336 0.773 10 0 BCAERO CN(CC1CC1)C(=O)[C@H]1C[NH2+]CCOC1 ZINC000643648583 384323935 /nfs/dbraw/zinc/32/39/35/384323935.db2.gz KFPKJOAINDFMDS-JTQLQIEISA-N 1 0 212.293 0.091 10 0 BCAERO Cc1cnc([S@@](=O)[C@H]2CC[NH2+]C2)nc1Cl ZINC000095068700 384330256 /nfs/dbraw/zinc/33/02/56/384330256.db2.gz VPXZYWWDLITAEW-NZFNHWASSA-N 1 0 245.735 0.908 10 0 BCAERO Cc1ccc([S@@](=O)C[C@@H]2CCC[NH2+]C2)nn1 ZINC000095069125 384332170 /nfs/dbraw/zinc/33/21/70/384332170.db2.gz ANZNPEYVNFYCAH-QLJPJBMISA-N 1 0 239.344 0.892 10 0 BCAERO Cc1ccc(S(=O)(=O)[C@@H]2CCC[NH2+]C2)nc1 ZINC000095069007 384332433 /nfs/dbraw/zinc/33/24/33/384332433.db2.gz ZKNNYBXQIAIOJV-SNVBAGLBSA-N 1 0 240.328 0.916 10 0 BCAERO Cc1ccnc([S@](=O)C[C@@H]2CCC[NH2+]C2)n1 ZINC000095069289 384333100 /nfs/dbraw/zinc/33/31/00/384333100.db2.gz ROBLJZRAZYVLGT-HWPZZCPQSA-N 1 0 239.344 0.892 10 0 BCAERO O=[S@@](c1ccnc(Cl)n1)[C@H]1CC[NH2+]C1 ZINC000095070095 384334332 /nfs/dbraw/zinc/33/43/32/384334332.db2.gz CFRJWVKBAJWORG-MDAAJZPYSA-N 1 0 231.708 0.600 10 0 BCAERO O=[S@](c1ccnc(Cl)n1)[C@H]1CCC[NH2+]C1 ZINC000095070098 384334898 /nfs/dbraw/zinc/33/48/98/384334898.db2.gz JAHIGFMTPNRORZ-NZFNHWASSA-N 1 0 245.735 0.990 10 0 BCAERO COC(=O)/C=C\c1c(N)[nH+]ccc1OC ZINC000077020716 384392498 /nfs/dbraw/zinc/39/24/98/384392498.db2.gz SESOIJQIRYUXGA-ARJAWSKDSA-N 1 0 208.217 0.859 10 0 BCAERO C[NH2+][C@@]1(C(N)=O)CCCc2sccc21 ZINC000061329866 384395147 /nfs/dbraw/zinc/39/51/47/384395147.db2.gz ASTKXBLKXBXKLY-JTQLQIEISA-N 1 0 210.302 0.984 10 0 BCAERO C[NH2+][C@H](C)CN1C(=O)c2ccccc2C1=O ZINC000043995894 384395766 /nfs/dbraw/zinc/39/57/66/384395766.db2.gz OQZWODNDDPNFDS-MRVPVSSYSA-N 1 0 218.256 0.891 10 0 BCAERO COC[C@H](C)CNC(=O)[C@@]1(COC)CCC[NH2+]1 ZINC000643660910 384405243 /nfs/dbraw/zinc/40/52/43/384405243.db2.gz HLLVHJBNWFGRJO-PWSUYJOCSA-N 1 0 244.335 0.154 10 0 BCAERO C[C@](N)(CC[NH3+])C(=O)OCc1ccccc1 ZINC000095930141 384411209 /nfs/dbraw/zinc/41/12/09/384411209.db2.gz VEOUUCJPDQMOTR-LBPRGKRZSA-N 1 0 222.288 0.796 10 0 BCAERO CCS(=O)(=O)N1C[C@@H](C)[C@@H]([NH+](C)C)C1 ZINC000229066965 384417520 /nfs/dbraw/zinc/41/75/20/384417520.db2.gz KGCSOCQCOLQIHX-BDAKNGLRSA-N 1 0 220.338 0.218 10 0 BCAERO Cn1cc(C[NH2+]C[C@H]2CCC[C@@H]2O)nn1 ZINC000084225836 384379190 /nfs/dbraw/zinc/37/91/90/384379190.db2.gz GYMOPLFYKUKTST-SCZZXKLOSA-N 1 0 210.281 0.066 10 0 BCAERO Cc1nc(N)nc(N2CC[N@@H+]3CCC[C@H]3C2)n1 ZINC000302605383 384384281 /nfs/dbraw/zinc/38/42/81/384384281.db2.gz JUVOUFQCQHCJHG-VIFPVBQESA-N 1 0 234.307 0.047 10 0 BCAERO [NH3+][C@H](CO)c1cncc(Br)c1 ZINC000095636539 384385010 /nfs/dbraw/zinc/38/50/10/384385010.db2.gz FIVFUVIGLMTVPC-SSDOTTSWSA-N 1 0 217.066 0.836 10 0 BCAERO CCC[C@@H](CC)NC(=O)[C@@H]1C[NH2+]CCOC1 ZINC000643666366 384444502 /nfs/dbraw/zinc/44/45/02/384444502.db2.gz AQVJSHBCBDGETN-GHMZBOCLSA-N 1 0 228.336 0.917 10 0 BCAERO CCC[C@H](CC)NC(=O)[C@@H]1C[NH2+]CCOC1 ZINC000643666367 384444863 /nfs/dbraw/zinc/44/48/63/384444863.db2.gz AQVJSHBCBDGETN-MNOVXSKESA-N 1 0 228.336 0.917 10 0 BCAERO CC(C)(C)OC(=O)N1CC[C@@]2(C1)C[NH2+]CCO2 ZINC000096987261 384485194 /nfs/dbraw/zinc/48/51/94/384485194.db2.gz GEHLPPCOKTWOOG-LBPRGKRZSA-N 1 0 242.319 0.986 10 0 BCAERO CO[C@@H]1C[C@@H](CO)[N@H+](CCC[C@@H]2CCOC2)C1 ZINC000400555981 384470460 /nfs/dbraw/zinc/47/04/60/384470460.db2.gz LAGGSNCPRAPICJ-FRRDWIJNSA-N 1 0 243.347 0.885 10 0 BCAERO CS(=O)(=O)[C@@H]1Cc2ccccc2[C@@H]1[NH3+] ZINC000054930029 384512236 /nfs/dbraw/zinc/51/22/36/384512236.db2.gz DVNJRRQVEOJEQP-ZJUUUORDSA-N 1 0 211.286 0.656 10 0 BCAERO OC[C@@H]1C[NH+](C[C@H]2Cc3ccccc32)C[C@H]1CO ZINC000528599665 384493704 /nfs/dbraw/zinc/49/37/04/384493704.db2.gz RKOJVPBGCFKXJJ-RDBSUJKOSA-N 1 0 247.338 0.859 10 0 BCAERO CC(C)CC(=O)N[C@@H](C(=O)NCC[NH3+])C(C)C ZINC000236620140 384534645 /nfs/dbraw/zinc/53/46/45/384534645.db2.gz SPEQUKYLRDQDCW-LLVKDONJSA-N 1 0 243.351 0.248 10 0 BCAERO CS(=O)(=O)[C@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000054930032 384512483 /nfs/dbraw/zinc/51/24/83/384512483.db2.gz DVNJRRQVEOJEQP-VHSXEESVSA-N 1 0 211.286 0.656 10 0 BCAERO C[NH+](C)[C@@H]1CCN(C(=O)CC[C@@H]2CCOC2)C1 ZINC000175979160 384521517 /nfs/dbraw/zinc/52/15/17/384521517.db2.gz XZHCBONDMMZOTF-VXGBXAGGSA-N 1 0 240.347 0.966 10 0 BCAERO [NH3+]Cc1ccc(N2CCCS2(=O)=O)cc1 ZINC000019421146 384523335 /nfs/dbraw/zinc/52/33/35/384523335.db2.gz DEGLQAJTIAVTNY-UHFFFAOYSA-N 1 0 226.301 0.685 10 0 BCAERO CN(Cc1ccccc1)S(=O)(=O)CC[NH3+] ZINC000011755732 384549899 /nfs/dbraw/zinc/54/98/99/384549899.db2.gz MQPONXXNZWFFTG-UHFFFAOYSA-N 1 0 228.317 0.407 10 0 BCAERO CNS(=O)(=O)c1ccc(C[C@H](C)[NH3+])cc1 ZINC000011731528 384537789 /nfs/dbraw/zinc/53/77/89/384537789.db2.gz RLNKKCKEJSXLTJ-QMMMGPOBSA-N 1 0 228.317 0.484 10 0 BCAERO CC[C@H](NC(=O)[C@H]1CC[C@H]([NH3+])C1)C(=O)OC ZINC000151104386 384538247 /nfs/dbraw/zinc/53/82/47/384538247.db2.gz RNJNJGVRKDJORO-CIUDSAMLSA-N 1 0 228.292 0.182 10 0 BCAERO CC[C@H](NC(=O)[C@@H]1CC[C@H]([NH3+])C1)C(=O)OC ZINC000151104282 384539788 /nfs/dbraw/zinc/53/97/88/384539788.db2.gz RNJNJGVRKDJORO-VGMNWLOBSA-N 1 0 228.292 0.182 10 0 BCAERO CC(C)(C)[C@H](O)Cn1cc(CCCC[NH3+])nn1 ZINC000306052531 384570432 /nfs/dbraw/zinc/57/04/32/384570432.db2.gz SVMMUAKGGTWMIR-LLVKDONJSA-N 1 0 240.351 0.967 10 0 BCAERO CO[C@H]1C[NH2+][C@@H](C(=O)NCCc2ccccc2)C1 ZINC000040630468 384588573 /nfs/dbraw/zinc/58/85/73/384588573.db2.gz FTXHCIOOFJQFCT-CHWSQXEVSA-N 1 0 248.326 0.722 10 0 BCAERO Cc1cc(C)nc(N2CC[C@H](C[NH3+])C2)n1 ZINC000050249580 384611919 /nfs/dbraw/zinc/61/19/19/384611919.db2.gz OPPJJAQUNLVRHW-SNVBAGLBSA-N 1 0 206.293 0.878 10 0 BCAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]CC[C@H]1CCCO1 ZINC000309798208 384612291 /nfs/dbraw/zinc/61/22/91/384612291.db2.gz QQRPTOPJJAJYKK-AXFHLTTASA-N 1 0 226.320 0.812 10 0 BCAERO O=C(NC[C@@H]1CC[NH2+]C1)Nc1ccccn1 ZINC000258586287 384615263 /nfs/dbraw/zinc/61/52/63/384615263.db2.gz QBISMPQTFGGEIP-SECBINFHSA-N 1 0 220.276 0.813 10 0 BCAERO C[C@H]([NH2+]CC1CC(O)C1)c1cnn(C)c1 ZINC000084446536 384620734 /nfs/dbraw/zinc/62/07/34/384620734.db2.gz HXGCWARZETYCSE-SILCLGDVSA-N 1 0 209.293 0.842 10 0 BCAERO O=C(C[NH2+][C@H]1CC[C@H](O)CC1)c1cnccn1 ZINC000100279988 384631788 /nfs/dbraw/zinc/63/17/88/384631788.db2.gz AURBIRHFGGDEHY-AOOOYVTPSA-N 1 0 235.287 0.552 10 0 BCAERO [NH3+][C@@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1O ZINC000101225906 384670044 /nfs/dbraw/zinc/67/00/44/384670044.db2.gz IXPLJRREJIUKLG-MNOVXSKESA-N 1 0 236.271 0.327 10 0 BCAERO C[NH+](C)[C@H]1CCN(C(=O)c2ccc[nH]2)C1 ZINC000082277525 384660785 /nfs/dbraw/zinc/66/07/85/384660785.db2.gz PRIAROXKZDCPIR-VIFPVBQESA-N 1 0 207.277 0.791 10 0 BCAERO COC[C@H]([NH2+][C@H]1CCC(=O)N[C@@H]1C)C1CC1 ZINC000309678376 384724528 /nfs/dbraw/zinc/72/45/28/384724528.db2.gz YRXZDRJHPULOCZ-MIMYLULJSA-N 1 0 226.320 0.668 10 0 BCAERO C[NH2+][C@H](C)C(=O)NCCc1ccccc1 ZINC000048775620 384676805 /nfs/dbraw/zinc/67/68/05/384676805.db2.gz BBAVFXRUCPQEID-SNVBAGLBSA-N 1 0 206.289 0.953 10 0 BCAERO Cc1ccc(CC[N@@H+]2C[C@@H](O)C[C@@H]2CO)cc1 ZINC000185144140 384683395 /nfs/dbraw/zinc/68/33/95/384683395.db2.gz MNSWSPVUQPLUQI-KGLIPLIRSA-N 1 0 235.327 0.965 10 0 BCAERO CC(C)CC[NH2+]C[C@@H]1CN(C)CCO1 ZINC000082463112 384685438 /nfs/dbraw/zinc/68/54/38/384685438.db2.gz GUQXBOFHTBXHGR-LLVKDONJSA-N 1 0 200.326 0.953 10 0 BCAERO COCC(C)(C)C[N@@H+]1CC[C@@H]2OCCN[C@@H]2C1 ZINC000647541264 384686598 /nfs/dbraw/zinc/68/65/98/384686598.db2.gz VMDZCBXOMPVIMM-NEPJUHHUSA-N 1 0 242.363 0.722 10 0 BCAERO CCC[C@H]([NH3+])C(=O)NC[C@@H](C)C(=O)OCC ZINC000236864456 384692596 /nfs/dbraw/zinc/69/25/96/384692596.db2.gz XUSBPJSCXPNLAF-BDAKNGLRSA-N 1 0 230.308 0.429 10 0 BCAERO C[C@H]1CN(C(=O)C2CCSCC2)C[C@@H]1[NH3+] ZINC000335589442 384775651 /nfs/dbraw/zinc/77/56/51/384775651.db2.gz CFFWAPLLASJUEH-WPRPVWTQSA-N 1 0 228.361 0.935 10 0 BCAERO COC[C@H]([NH3+])C(=O)NC(C)(C)c1nccs1 ZINC000234726916 384775890 /nfs/dbraw/zinc/77/58/90/384775890.db2.gz XDEAMWGDHUKXRL-ZETCQYMHSA-N 1 0 243.332 0.468 10 0 BCAERO C[C@@H](NC(=O)C1(C)C[NH2+]C1)[C@@H]1CCCO1 ZINC000335039111 384777809 /nfs/dbraw/zinc/77/78/09/384777809.db2.gz MFTMRCVTPFSKHW-BDAKNGLRSA-N 1 0 212.293 0.280 10 0 BCAERO C[NH2+][C@H](C)C(=O)NCCN(C)c1ccccc1 ZINC000054076306 384729007 /nfs/dbraw/zinc/72/90/07/384729007.db2.gz HBAIQDWCZAYRFJ-LLVKDONJSA-N 1 0 235.331 0.847 10 0 BCAERO CSc1nccc(N2CC[NH2+]CC2)n1 ZINC000082954042 384731836 /nfs/dbraw/zinc/73/18/36/384731836.db2.gz ZFPJHNDSTKPGMW-UHFFFAOYSA-N 1 0 210.306 0.608 10 0 BCAERO COC(=O)[C@H](C)N1C[C@H](C)[C@H](C[NH3+])C1 ZINC000601325665 384751591 /nfs/dbraw/zinc/75/15/91/384751591.db2.gz FDNMYSUQXVVNIC-XHNCKOQMSA-N 1 0 200.282 0.075 10 0 BCAERO COCCCN(C)C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000062033631 384758142 /nfs/dbraw/zinc/75/81/42/384758142.db2.gz UEEPQKHZSIYXBD-NSHDSACASA-N 1 0 228.336 0.871 10 0 BCAERO O=C([C@H]1C[NH2+]CCOC1)N1Cc2ccccc2C1 ZINC000643687371 384819209 /nfs/dbraw/zinc/81/92/09/384819209.db2.gz LSNRTPMVZSJCEA-ZDUSSCGKSA-N 1 0 246.310 0.765 10 0 BCAERO Cn1ccnc(N2CC[N@@H+]3CCC[C@@H]3C2)c1=O ZINC000174679606 384826027 /nfs/dbraw/zinc/82/60/27/384826027.db2.gz FOLDCYAQDMJWQL-SNVBAGLBSA-N 1 0 234.303 0.065 10 0 BCAERO [NH3+]Cc1ccc(CN2CCNC2=O)cc1 ZINC000037492113 384827354 /nfs/dbraw/zinc/82/73/54/384827354.db2.gz WBJICMCBMOUGED-UHFFFAOYSA-N 1 0 205.261 0.671 10 0 BCAERO O[C@@]1(c2cn[nH]n2)CC[N@H+](CC2CC2)C1 ZINC000583617411 384835017 /nfs/dbraw/zinc/83/50/17/384835017.db2.gz IZFIHNTUFBVXRE-JTQLQIEISA-N 1 0 208.265 0.108 10 0 BCAERO COCCC[N@@H+]1C[C@H](OC)C[C@@H]1CO ZINC000308594254 384835442 /nfs/dbraw/zinc/83/54/42/384835442.db2.gz XNXLOVUEOLDOKU-NXEZZACHSA-N 1 0 203.282 0.105 10 0 BCAERO C[C@H]([NH2+]C(CO)CO)c1ccc(F)cc1 ZINC000083692983 384792216 /nfs/dbraw/zinc/79/22/16/384792216.db2.gz BYWBTDRRVQELIQ-QMMMGPOBSA-N 1 0 213.252 0.830 10 0 BCAERO O[C@]1(c2cn[nH]n2)CC[N@H+](CC2CC2)C1 ZINC000583617412 384836490 /nfs/dbraw/zinc/83/64/90/384836490.db2.gz IZFIHNTUFBVXRE-SNVBAGLBSA-N 1 0 208.265 0.108 10 0 BCAERO CC[C@H]([NH2+]C[C@@H]1CCO[C@@H]1C(C)C)C(N)=O ZINC000310032000 384798824 /nfs/dbraw/zinc/79/88/24/384798824.db2.gz RITNWZRYPARBIO-GARJFASQSA-N 1 0 228.336 0.901 10 0 BCAERO [NH3+][C@H]1CC[C@@H](C(=O)NCc2cc[nH]n2)C1 ZINC000085011971 384836836 /nfs/dbraw/zinc/83/68/36/384836836.db2.gz GOIBEVJRHXDAAI-SFYZADRCSA-N 1 0 208.265 0.153 10 0 BCAERO C[NH+](C)[C@@H]1CCN(C(=O)[C@@H](O)c2ccccc2)C1 ZINC000174584508 384812807 /nfs/dbraw/zinc/81/28/07/384812807.db2.gz NYLWYLUIJFIDRI-OLZOCXBDSA-N 1 0 248.326 0.883 10 0 BCAERO C[C@H]1C[C@H]1Nc1nc2c(cnn2C)c(N)n1 ZINC000278395142 384881160 /nfs/dbraw/zinc/88/11/60/384881160.db2.gz MLKBXIHCDBOVIY-CAHLUQPWSA-N 1 0 218.264 0.766 10 0 BCAERO CO[C@@H]1C[C@H](CO)[N@H+](Cc2cncc(C)c2)C1 ZINC000310108061 384838972 /nfs/dbraw/zinc/83/89/72/384838972.db2.gz DLHQHLJVNHEYCX-CHWSQXEVSA-N 1 0 236.315 0.972 10 0 BCAERO CCC[C@@H]1C[C@H]1NC(=O)[C@H]1C[NH2+]CCOC1 ZINC000643728478 384843536 /nfs/dbraw/zinc/84/35/36/384843536.db2.gz CRCKZEGYTMXPFI-OUAUKWLOSA-N 1 0 226.320 0.527 10 0 BCAERO CCOCCO[C@H](C)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000236935967 384852718 /nfs/dbraw/zinc/85/27/18/384852718.db2.gz QFKCQYUCLJNEHL-GHMZBOCLSA-N 1 0 244.335 0.378 10 0 BCAERO Nn1cnnc1SC[C@H]1CCCC[NH2+]1 ZINC000043495470 384855451 /nfs/dbraw/zinc/85/54/51/384855451.db2.gz JFZPKWYBUNAKMF-SSDOTTSWSA-N 1 0 213.310 0.226 10 0 BCAERO C[C@H](O)[C@@H]1CCC[N@H+](C[C@H]2CNC(=O)O2)C1 ZINC000497198185 384857753 /nfs/dbraw/zinc/85/77/53/384857753.db2.gz WDOBFMNHPQDLLD-IVZWLZJFSA-N 1 0 228.292 0.188 10 0 BCAERO C[C@H](O)[C@@H]1CCC[N@H+](C[C@@H]2CNC(=O)O2)C1 ZINC000497198183 384859700 /nfs/dbraw/zinc/85/97/00/384859700.db2.gz WDOBFMNHPQDLLD-AEJSXWLSSA-N 1 0 228.292 0.188 10 0 BCAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)CC[C@@H]1CCOC1 ZINC000401552526 384860822 /nfs/dbraw/zinc/86/08/22/384860822.db2.gz JCCDICWIPLFNIE-GMTAPVOTSA-N 1 0 226.320 0.751 10 0 BCAERO COC(=O)CN1CCC[C@@H](Cn2cncn2)C1 ZINC000105919588 384891457 /nfs/dbraw/zinc/89/14/57/384891457.db2.gz YURSOKPKGLAMMJ-SNVBAGLBSA-N 1 0 238.291 0.163 10 0 BCAERO C([C@H]1CCCCO1)N1CC[C@H]2OCC[NH2+][C@@H]2C1 ZINC000404197690 384958017 /nfs/dbraw/zinc/95/80/17/384958017.db2.gz NYUGVUOUZCLARN-JHJVBQTASA-N 1 0 240.347 0.618 10 0 BCAERO CCc1cc(N2CC[C@H]3OCC[NH2+][C@H]3C2)ncn1 ZINC000404083940 384895278 /nfs/dbraw/zinc/89/52/78/384895278.db2.gz QMJXTIZZVMCPNQ-NWDGAFQWSA-N 1 0 248.330 0.606 10 0 BCAERO CCCNC(=O)CN(C)C[C@H]1CCC[N@@H+]1CC ZINC000175344824 384896075 /nfs/dbraw/zinc/89/60/75/384896075.db2.gz UZBVGBMTVMTPOI-GFCCVEGCSA-N 1 0 241.379 0.929 10 0 BCAERO CCN(CC1CC1)C(=O)[C@H]1C[NH2+]CCOC1 ZINC000643693329 384899663 /nfs/dbraw/zinc/89/96/63/384899663.db2.gz JNXXKILAAQZNLN-NSHDSACASA-N 1 0 226.320 0.481 10 0 BCAERO Cn1nc(Br)c2c1nc[nH+]c2NN ZINC000057218444 384932466 /nfs/dbraw/zinc/93/24/66/384932466.db2.gz NFTNTDVIOYCDIV-UHFFFAOYSA-N 1 0 243.068 0.411 10 0 BCAERO Cc1cncc(CN2CC[C@H]3OCC[NH2+][C@H]3C2)c1 ZINC000404179478 384948395 /nfs/dbraw/zinc/94/83/95/384948395.db2.gz BONARVCICRPGBW-UONOGXRCSA-N 1 0 247.342 0.953 10 0 BCAERO COc1cc(N2C[C@@H](C)[NH2+]C[C@@H]2C)ncn1 ZINC000085481418 384948533 /nfs/dbraw/zinc/94/85/33/384948533.db2.gz WUTSIOUTUJZNET-BDAKNGLRSA-N 1 0 222.292 0.672 10 0 BCAERO CC[N@H+](CCO)CCNc1cnccn1 ZINC000302207213 384969905 /nfs/dbraw/zinc/96/99/05/384969905.db2.gz ACFZBZOUEOPFSD-UHFFFAOYSA-N 1 0 210.281 0.203 10 0 BCAERO CN(C)c1nccnc1NCC[NH+](C)C ZINC000302176308 384978357 /nfs/dbraw/zinc/97/83/57/384978357.db2.gz CEFDKEXXABFVGZ-UHFFFAOYSA-N 1 0 209.297 0.516 10 0 BCAERO CC(C)COCC[NH2+][C@@H]1CCC(=O)N[C@@H]1C ZINC000309319189 384980885 /nfs/dbraw/zinc/98/08/85/384980885.db2.gz DSQHFWVZGWIPSY-GHMZBOCLSA-N 1 0 228.336 0.916 10 0 BCAERO Cc1cc(C[NH2+]C[C@@H]2CN(C)CCO2)sn1 ZINC000404426385 384992402 /nfs/dbraw/zinc/99/24/02/384992402.db2.gz IAFRJQKZLBKTGE-SNVBAGLBSA-N 1 0 241.360 0.872 10 0 BCAERO C[C@H](NC(=O)[C@@H]1CC[NH2+]C1)C1CCOCC1 ZINC000226372148 384999924 /nfs/dbraw/zinc/99/99/24/384999924.db2.gz MXPCRMYNSOHJDQ-GXSJLCMTSA-N 1 0 226.320 0.527 10 0 BCAERO CCN1CCO[C@H](C[NH2+]Cc2ccns2)C1 ZINC000404459735 385001387 /nfs/dbraw/zinc/00/13/87/385001387.db2.gz SJXLMLNDWNSBQA-SNVBAGLBSA-N 1 0 241.360 0.953 10 0 BCAERO CC(C)C1([NH2+]C[C@H](O)CN2CCOCC2)CC1 ZINC000339507899 385009246 /nfs/dbraw/zinc/00/92/46/385009246.db2.gz GKEBDWVAYAMHFP-LBPRGKRZSA-N 1 0 242.363 0.458 10 0 BCAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]Cc1ccns1 ZINC000404480231 385009328 /nfs/dbraw/zinc/00/93/28/385009328.db2.gz VZBPIQCPUCGZHF-CBAPKCEASA-N 1 0 225.317 0.900 10 0 BCAERO CC(C)C1([NH2+]CCCC(=O)NC(N)=O)CC1 ZINC000339512018 385010239 /nfs/dbraw/zinc/01/02/39/385010239.db2.gz QYIPMWGMOBDPEJ-UHFFFAOYSA-N 1 0 227.308 0.740 10 0 BCAERO C[C@H](NC(=O)[C@H]1CCC[C@@H]([NH3+])C1)c1nc[nH]n1 ZINC000226408950 385010462 /nfs/dbraw/zinc/01/04/62/385010462.db2.gz YEAFZEGZIUBWBE-XHNCKOQMSA-N 1 0 237.307 0.499 10 0 BCAERO CC(=O)N1CCN([C@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000086409805 385015156 /nfs/dbraw/zinc/01/51/56/385015156.db2.gz QZBDIOHJJKOYKZ-MNOVXSKESA-N 1 0 211.309 0.030 10 0 BCAERO Cc1cc(C[NH2+][C@@H]2CCCNC2=O)sn1 ZINC000404471863 385017072 /nfs/dbraw/zinc/01/70/72/385017072.db2.gz YTFFCPHZMZOUIO-SECBINFHSA-N 1 0 225.317 0.820 10 0 BCAERO c1n[nH]cc1CCN1CC[C@H]2OCC[NH2+][C@H]2C1 ZINC000404215914 384961462 /nfs/dbraw/zinc/96/14/62/384961462.db2.gz YHEPDPMVVOTGMD-NWDGAFQWSA-N 1 0 236.319 0.015 10 0 BCAERO c1n[nH]cc1CCN1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC000404215917 384963025 /nfs/dbraw/zinc/96/30/25/384963025.db2.gz YHEPDPMVVOTGMD-RYUDHWBXSA-N 1 0 236.319 0.015 10 0 BCAERO C[N@H+](C[C@H]1CNCCO1)[C@@H]1CCSC1 ZINC000043802197 385047630 /nfs/dbraw/zinc/04/76/30/385047630.db2.gz YLEZZEGXKCKGNP-NXEZZACHSA-N 1 0 216.350 0.412 10 0 BCAERO CC[S@](=O)CCN1CCC([NH3+])CC1 ZINC000058827256 385029440 /nfs/dbraw/zinc/02/94/40/385029440.db2.gz ZVMZEUJUVXSUQO-CYBMUJFWSA-N 1 0 204.339 0.178 10 0 BCAERO O=C(NCc1ccco1)[C@@H]1C[NH2+]CCOC1 ZINC000643767644 385035212 /nfs/dbraw/zinc/03/52/12/385035212.db2.gz FLSXDWFJTRPRQW-SECBINFHSA-N 1 0 224.260 0.132 10 0 BCAERO CN(CC1CC[NH2+]CC1)c1cnccn1 ZINC000086703970 385038880 /nfs/dbraw/zinc/03/88/80/385038880.db2.gz JKQYISHAMQKKGH-UHFFFAOYSA-N 1 0 206.293 0.912 10 0 BCAERO CN(Cc1ccco1)C(=O)[C@H]1C[NH2+]CCOC1 ZINC000643767623 385039773 /nfs/dbraw/zinc/03/97/73/385039773.db2.gz AJALRRGJIXKPEK-JTQLQIEISA-N 1 0 238.287 0.474 10 0 BCAERO Cn1nccc1[C@@H]1[C@@H]([NH3+])CC(=O)N1C1CC1 ZINC000164790176 385040734 /nfs/dbraw/zinc/04/07/34/385040734.db2.gz FKINRLXRSNXXEU-KWQFWETISA-N 1 0 220.276 0.183 10 0 BCAERO Cc1cnc([C@H](C)NC(=O)[C@@H]2CCC[NH2+]2)o1 ZINC000226707320 385043247 /nfs/dbraw/zinc/04/32/47/385043247.db2.gz ZMUBZLZLCVVGDW-IUCAKERBSA-N 1 0 223.276 0.912 10 0 BCAERO CN(C)c1nccc(N2C[C@H](F)C[C@H]2C[NH3+])n1 ZINC000407986761 385111120 /nfs/dbraw/zinc/11/11/20/385111120.db2.gz HUHDAUQJXYGYPH-BDAKNGLRSA-N 1 0 239.298 0.418 10 0 BCAERO COC[C@]1(C(=O)N(C)C2CCC2)CCC[NH2+]1 ZINC000643701022 385139170 /nfs/dbraw/zinc/13/91/70/385139170.db2.gz PBAZWUQAIXJKMF-LBPRGKRZSA-N 1 0 226.320 0.766 10 0 BCAERO C[C@@H]([NH3+])c1nnnn1Cc1ccccc1 ZINC000062494580 385184452 /nfs/dbraw/zinc/18/44/52/385184452.db2.gz MSSPXXJOQFOWPN-MRVPVSSYSA-N 1 0 203.249 0.741 10 0 BCAERO CC[C@H]([NH2+][C@@H](CO)c1ccccc1)C(N)=O ZINC000063002176 385202188 /nfs/dbraw/zinc/20/21/88/385202188.db2.gz HVPQJVMHHMTEDK-QWRGUYRKSA-N 1 0 222.288 0.574 10 0 BCAERO CN(C(=O)[C@H]1C[NH2+]CCOC1)C1CCC1 ZINC000643701373 385149006 /nfs/dbraw/zinc/14/90/06/385149006.db2.gz XSAXCKFYJANQLJ-VIFPVBQESA-N 1 0 212.293 0.233 10 0 BCAERO Cc1nnc2ccc(N3CC[C@H]([NH+](C)C)C3)nn12 ZINC000109319588 385150997 /nfs/dbraw/zinc/15/09/97/385150997.db2.gz ORZDHCVWSMZRSU-JTQLQIEISA-N 1 0 246.318 0.573 10 0 BCAERO Cc1nocc1C(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000402701809 385158464 /nfs/dbraw/zinc/15/84/64/385158464.db2.gz BNHTXQGUABNJEZ-SCZZXKLOSA-N 1 0 223.276 0.840 10 0 BCAERO C[NH2+][C@@H](C)CNC(=O)[C@@H]1CC12CCOCC2 ZINC000647031952 385165917 /nfs/dbraw/zinc/16/59/17/385165917.db2.gz KLSDOBGTYIAZHO-UWVGGRQHSA-N 1 0 226.320 0.527 10 0 BCAERO Cc1cccc(CC(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)c1 ZINC000647039637 385175255 /nfs/dbraw/zinc/17/52/55/385175255.db2.gz TZIXSXAXRNCVDU-STQMWFEESA-N 1 0 248.326 0.234 10 0 BCAERO C[C@H](C(=O)NC[C@H]1C[NH2+]C[C@H]1O)c1ccccc1 ZINC000647040160 385175772 /nfs/dbraw/zinc/17/57/72/385175772.db2.gz NNQNPPJDXVNDCS-CYZMBNFOSA-N 1 0 248.326 0.487 10 0 BCAERO [NH3+]C[C@@H]1CCCCN1C(=O)c1cnns1 ZINC000044540992 385213998 /nfs/dbraw/zinc/21/39/98/385213998.db2.gz RRZQMXXSOXWVOE-ZETCQYMHSA-N 1 0 226.305 0.492 10 0 BCAERO C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1[C@@H](C)C(=O)[O-] ZINC000063196374 385217985 /nfs/dbraw/zinc/21/79/85/385217985.db2.gz WVXPOHNWVFGNLF-CIUDSAMLSA-N 1 0 200.282 0.661 10 0 BCAERO CC1=[NH+]CCN1Cc1cnc(C)nc1N ZINC000238258895 385226015 /nfs/dbraw/zinc/22/60/15/385226015.db2.gz JGLBOJRCLVTXLS-UHFFFAOYSA-N 1 0 205.265 0.601 10 0 BCAERO CC[N@@H+]1CCC[C@@H]1CN(C)[C@@H]1CCNC1=O ZINC000178312933 385227334 /nfs/dbraw/zinc/22/73/34/385227334.db2.gz KVRZGYDMFMJWRO-GHMZBOCLSA-N 1 0 225.336 0.291 10 0 BCAERO CC[C@@](C)(O)C[N@H+](C)CCNC(=O)C(C)C ZINC000162194786 385231268 /nfs/dbraw/zinc/23/12/68/385231268.db2.gz JNOCGWACKKLXQN-GFCCVEGCSA-N 1 0 230.352 0.851 10 0 BCAERO C[C@H](O)CNC(=O)N[C@H]1CC[C@H]([NH+](C)C)C1 ZINC000341622760 385233385 /nfs/dbraw/zinc/23/33/85/385233385.db2.gz VLTWVYQOWHJWFU-GUBZILKMSA-N 1 0 229.324 0.149 10 0 BCAERO COC(C)(C)[C@@H](C)[NH2+]C[C@@H]1CN(C)CCO1 ZINC000301027049 385235368 /nfs/dbraw/zinc/23/53/68/385235368.db2.gz SKJDSTOTFNECOE-GHMZBOCLSA-N 1 0 230.352 0.720 10 0 BCAERO CN(C[C@@H]1CCCOC1)C(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000227794907 385238908 /nfs/dbraw/zinc/23/89/08/385238908.db2.gz RHLOLBCCQKZGFD-SDDRHHMPSA-N 1 0 240.347 0.999 10 0 BCAERO C[C@H]1CN(C(=O)c2ccnc(N(C)C)c2)C[C@H]1[NH3+] ZINC000647084664 385246468 /nfs/dbraw/zinc/24/64/68/385246468.db2.gz UFEXYWSZDZZLOU-GXSJLCMTSA-N 1 0 248.330 0.567 10 0 BCAERO CO[C@H]1C[C@@H](CO)[N@H+](CCCCCO)C1 ZINC000308886067 385249387 /nfs/dbraw/zinc/24/93/87/385249387.db2.gz GEKYXDYTEQBYQO-QWRGUYRKSA-N 1 0 217.309 0.231 10 0 BCAERO CC(C)[C@H](O)C[NH2+][C@H]1CCC(=O)N[C@H]1C ZINC000308937273 385305127 /nfs/dbraw/zinc/30/51/27/385305127.db2.gz OPOCNWPDMSVAIB-LPEHRKFASA-N 1 0 214.309 0.260 10 0 BCAERO C[C@@H]([NH3+])CNC(=O)[C@]1(C)CCCS1 ZINC000164836655 385314676 /nfs/dbraw/zinc/31/46/76/385314676.db2.gz DIUUGYVTPQOZLI-APPZFPTMSA-N 1 0 202.323 0.736 10 0 BCAERO O=C(c1cc[nH]c(=O)c1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000177549221 385258543 /nfs/dbraw/zinc/25/85/43/385258543.db2.gz RHEAFTUWPZCXIZ-LLVKDONJSA-N 1 0 247.298 0.295 10 0 BCAERO COc1c(CN2CC[NH+](C)CC2)c(C)nn1C ZINC000154402756 385322276 /nfs/dbraw/zinc/32/22/76/385322276.db2.gz RNMWCLSPRRQBSN-UHFFFAOYSA-N 1 0 238.335 0.485 10 0 BCAERO [NH3+][C@@H]1CC[C@H](C(=O)NC[C@@H]2CCCO2)C1 ZINC000227862906 385265156 /nfs/dbraw/zinc/26/51/56/385265156.db2.gz ZULPQZCZGJYHLZ-AEJSXWLSSA-N 1 0 212.293 0.409 10 0 BCAERO C[C@H]1CC[C@@H](NC(=O)[C@@H]2CCCO2)C[NH2+]1 ZINC000164687474 385271486 /nfs/dbraw/zinc/27/14/86/385271486.db2.gz KIIUIHQDILFZCJ-AEJSXWLSSA-N 1 0 212.293 0.422 10 0 BCAERO Cc1c(C[NH2+][C@]2(C)CCOC2)cnn1C ZINC000120230950 385273975 /nfs/dbraw/zinc/27/39/75/385273975.db2.gz QKOHXEYRJXJENG-LLVKDONJSA-N 1 0 209.293 0.997 10 0 BCAERO CO[C@H]1C[C@H](CO)[N@H+](CCc2cccnc2)C1 ZINC000344682551 385290101 /nfs/dbraw/zinc/29/01/01/385290101.db2.gz TTXMJLARDQURNA-OLZOCXBDSA-N 1 0 236.315 0.706 10 0 BCAERO C[C@@H](O)C[N@@H+]1CCN(Cc2cocn2)C[C@H]1C ZINC000191941404 385334090 /nfs/dbraw/zinc/33/40/90/385334090.db2.gz ISDAOCYUZNVQRN-GHMZBOCLSA-N 1 0 239.319 0.562 10 0 BCAERO C[C@@H]([NH2+]CC(=O)N1CCC1)[C@H]1CCCO1 ZINC000308988342 385334157 /nfs/dbraw/zinc/33/41/57/385334157.db2.gz KKCIPNHGCWTFOG-NXEZZACHSA-N 1 0 212.293 0.376 10 0 BCAERO C[NH+](C)[C@@H]1CCN(C[C@@H](O)CC(F)(F)F)C1 ZINC000307929430 385351299 /nfs/dbraw/zinc/35/12/99/385351299.db2.gz APZFUEUKJVVZTF-BDAKNGLRSA-N 1 0 240.269 0.936 10 0 BCAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)c1ccccn1 ZINC000309063149 385390433 /nfs/dbraw/zinc/39/04/33/385390433.db2.gz XIHMYQPBRSJYTE-RKDXNWHRSA-N 1 0 205.261 0.643 10 0 BCAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)c1cccn1C ZINC000309037425 385375538 /nfs/dbraw/zinc/37/55/38/385375538.db2.gz HADYCNIKBAUVKK-BDAKNGLRSA-N 1 0 207.277 0.587 10 0 BCAERO CCCN(C)S(=O)(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000262757481 385385996 /nfs/dbraw/zinc/38/59/96/385385996.db2.gz PYDMPHMQTNKHRA-UWVGGRQHSA-N 1 0 249.380 0.290 10 0 BCAERO CCOC(=O)[C@@H](C)N1CC[C@H]([NH+](C)C)C1 ZINC000062966274 385409687 /nfs/dbraw/zinc/40/96/87/385409687.db2.gz XNRZVGCWXTUVJV-ZJUUUORDSA-N 1 0 214.309 0.574 10 0 BCAERO CC[C@@](C)(O)C[N@H+](C)CC(C)(CO)CO ZINC000161652112 385418638 /nfs/dbraw/zinc/41/86/38/385418638.db2.gz WBEODBGJUBTTDA-LLVKDONJSA-N 1 0 219.325 0.070 10 0 BCAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]CC1(O)CCC1 ZINC000309149441 385439029 /nfs/dbraw/zinc/43/90/29/385439029.db2.gz WBGMWBKHAJCHRQ-DTWKUNHWSA-N 1 0 212.293 0.158 10 0 BCAERO C[NH+](C)CC(=O)N[C@@H]1COc2ccccc21 ZINC000170771858 385444752 /nfs/dbraw/zinc/44/47/52/385444752.db2.gz SHYQBCZJQFRRIY-SNVBAGLBSA-N 1 0 220.272 0.798 10 0 BCAERO CCCCN(C)S(=O)(=O)N1CC[C@@H]([NH3+])[C@@H]1C ZINC000309170881 385448144 /nfs/dbraw/zinc/44/81/44/385448144.db2.gz AAJFHILINORGSF-VHSXEESVSA-N 1 0 249.380 0.385 10 0 BCAERO C[NH+](C)[C@H]1CCN(C(=O)NCc2ccccn2)C1 ZINC000170861520 385451089 /nfs/dbraw/zinc/45/10/89/385451089.db2.gz PEUZQDURJKLRFH-LBPRGKRZSA-N 1 0 248.330 0.927 10 0 BCAERO C[NH+](C)[C@@H]1CCN(C(=O)c2cnns2)C1 ZINC000170865205 385451834 /nfs/dbraw/zinc/45/18/34/385451834.db2.gz BHJYLTUVNVZRTR-SSDOTTSWSA-N 1 0 226.305 0.314 10 0 BCAERO CCN(CC[NH3+])c1cnn(C)c(=O)c1Cl ZINC000165949568 385428139 /nfs/dbraw/zinc/42/81/39/385428139.db2.gz NVPKRGDKMUOICO-UHFFFAOYSA-N 1 0 230.699 0.219 10 0 BCAERO CC[C@@H](O)C[NH+]1CCN(C[C@@H](C)OC)CC1 ZINC000182195246 385434592 /nfs/dbraw/zinc/43/45/92/385434592.db2.gz YTSRBOXRHSRVNZ-VXGBXAGGSA-N 1 0 230.352 0.410 10 0 BCAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]Cc1cncs1 ZINC000281511707 385435722 /nfs/dbraw/zinc/43/57/22/385435722.db2.gz ABGXXSXGZLOCFH-CBAPKCEASA-N 1 0 225.317 0.900 10 0 BCAERO Cc1nnc(C[NH2+][C@@H](C)[C@@H]2CCCO2)[nH]1 ZINC000309152447 385435946 /nfs/dbraw/zinc/43/59/46/385435946.db2.gz WQENXAZMHZCCAM-CBAPKCEASA-N 1 0 210.281 0.770 10 0 BCAERO CC[C@H](O)C[N@@H+]1CCC[C@@H]1CCCO ZINC000052762255 385466596 /nfs/dbraw/zinc/46/65/96/385466596.db2.gz YUJJVMXUFZPIAZ-MNOVXSKESA-N 1 0 201.310 0.994 10 0 BCAERO CCOC(=O)[C@@]1(O)CC[N@@H+]2CCC[C@@H]2C1 ZINC000156978671 385477891 /nfs/dbraw/zinc/47/78/91/385477891.db2.gz MGRXSOKQJPJERU-MWLCHTKSSA-N 1 0 213.277 0.539 10 0 BCAERO Cc1nocc1C(=O)N1CCC[C@H]([NH3+])C1 ZINC000257650690 385485234 /nfs/dbraw/zinc/48/52/34/385485234.db2.gz BJWHBOQHZIQDOS-QMMMGPOBSA-N 1 0 209.249 0.546 10 0 BCAERO CCN1C(=O)C[C@@H](C[NH3+])[C@H]1c1nccn1C ZINC000328579659 385491257 /nfs/dbraw/zinc/49/12/57/385491257.db2.gz VEDFDPMMBYZEAR-WPRPVWTQSA-N 1 0 222.292 0.288 10 0 BCAERO CC[C@H](O)C[N@@H+]1CCN(CCOC)[C@H](C)C1 ZINC000106386516 385507956 /nfs/dbraw/zinc/50/79/56/385507956.db2.gz MFWXAPNWHSHCGT-NEPJUHHUSA-N 1 0 230.352 0.410 10 0 BCAERO C[C@@](O)(CN1CC[C@H]([NH3+])C1)C(F)(F)F ZINC000258052629 385528727 /nfs/dbraw/zinc/52/87/27/385528727.db2.gz KDPARBVSRDKJLQ-NKWVEPMBSA-N 1 0 212.215 0.333 10 0 BCAERO C=Cn1cc(C[NH2+][C@H]2CCC(=O)N[C@H]2C)cn1 ZINC000282244966 385540138 /nfs/dbraw/zinc/54/01/38/385540138.db2.gz GHOCQVDARDTGEU-ONGXEEELSA-N 1 0 234.303 0.740 10 0 BCAERO CO[C@H](C)CCC(=O)NC[C@H]1CC[NH2+]C1 ZINC000166790640 385541424 /nfs/dbraw/zinc/54/14/24/385541424.db2.gz MDBDSPHBMUEVSW-ZJUUUORDSA-N 1 0 214.309 0.527 10 0 BCAERO CC(=O)N[C@H](C(=O)N1CC[C@@H]([NH3+])[C@H]1C)C(C)C ZINC000644147644 385541745 /nfs/dbraw/zinc/54/17/45/385541745.db2.gz CHVZPCSZDBYKIK-IEBDPFPHSA-N 1 0 241.335 0.095 10 0 BCAERO CN(c1ncnc2[nH]ccc21)C1C[NH2+]C1 ZINC000643041944 385546557 /nfs/dbraw/zinc/54/65/57/385546557.db2.gz XKCWETLEADZPQG-UHFFFAOYSA-N 1 0 203.249 0.366 10 0 BCAERO CC1(C)CC([NH2+]C2CS(=O)(=O)C2)C1 ZINC000257984249 385521941 /nfs/dbraw/zinc/52/19/41/385521941.db2.gz DVTOHTKPOUAOBM-UHFFFAOYSA-N 1 0 203.307 0.562 10 0 BCAERO COc1ccnc(N2CCC(C)([NH3+])CC2)n1 ZINC000643029115 385524340 /nfs/dbraw/zinc/52/43/40/385524340.db2.gz JFHDVCPDAWRDQS-UHFFFAOYSA-N 1 0 222.292 0.803 10 0 BCAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)c1ccc(F)cn1 ZINC000309353175 385549578 /nfs/dbraw/zinc/54/95/78/385549578.db2.gz XXDITNOVXMYIHL-VXNVDRBHSA-N 1 0 223.251 0.782 10 0 BCAERO CC[C@](C)(O)C[NH2+][C@@H](COC)[C@@H]1CCCO1 ZINC000336730634 385552134 /nfs/dbraw/zinc/55/21/34/385552134.db2.gz ILFPRCBHFIJNPN-SRVKXCTJSA-N 1 0 231.336 0.931 10 0 BCAERO C[C@H]([NH2+][C@H]1CCC(=O)N[C@H]1C)[C@@H]1CCCO1 ZINC000309393096 385560045 /nfs/dbraw/zinc/56/00/45/385560045.db2.gz GFOQNTMLSIWUNC-NAKRPEOUSA-N 1 0 226.320 0.811 10 0 BCAERO C[NH2+][C@H](C)C(=O)N1CCN(CC2CC2)CC1 ZINC000054075286 385594394 /nfs/dbraw/zinc/59/43/94/385594394.db2.gz GASCUFAAAFRNBS-SNVBAGLBSA-N 1 0 225.336 0.149 10 0 BCAERO C[NH2+][C@H](C)C(=O)NC[C@H]1CCCCO1 ZINC000054076698 385594539 /nfs/dbraw/zinc/59/45/39/385594539.db2.gz DJBAZFCWTTUVAN-RKDXNWHRSA-N 1 0 200.282 0.280 10 0 BCAERO OCCc1cccc([C@@H]2C[NH2+]CCO2)c1 ZINC000259597208 385588392 /nfs/dbraw/zinc/58/83/92/385588392.db2.gz YVKLVHYXJUVEAI-LBPRGKRZSA-N 1 0 207.273 0.882 10 0 BCAERO C[C@@H](O)C1CC[NH+](C[C@@H]2CNC(=O)O2)CC1 ZINC000229644398 385648308 /nfs/dbraw/zinc/64/83/08/385648308.db2.gz SGKMKMQCEYJZQH-SCZZXKLOSA-N 1 0 228.292 0.188 10 0 BCAERO CC(C)(C)OC(=O)[C@@H]1C[C@@H]([NH3+])[C@H](O)C1 ZINC000307056075 385652567 /nfs/dbraw/zinc/65/25/67/385652567.db2.gz BFNLOKNWCXPVKK-BWZBUEFSSA-N 1 0 201.266 0.426 10 0 BCAERO C[C@@H]1C[C@@H]1[NH2+]C1CCS(=O)(=O)CC1 ZINC000052273065 385716924 /nfs/dbraw/zinc/71/69/24/385716924.db2.gz GBWLRYZHKXXREN-APPZFPTMSA-N 1 0 203.307 0.562 10 0 BCAERO C[NH2+][C@H](C)C(=O)N[C@@H]1C[C@H](C)O[C@H]1C ZINC000307345543 385682402 /nfs/dbraw/zinc/68/24/02/385682402.db2.gz KTMCSDMFLHWPER-UYXSQOIJSA-N 1 0 200.282 0.276 10 0 BCAERO C[C@H]([NH2+][C@@H]1CCOC[C@H]1C)c1ncnn1C ZINC000309549767 385688031 /nfs/dbraw/zinc/68/80/31/385688031.db2.gz HUWCFKFSBSQTMQ-KXUCPTDWSA-N 1 0 224.308 0.891 10 0 BCAERO C[C@H]1[C@H]([NH3+])CCN1C(=O)CCc1ccncc1 ZINC000334453363 385706141 /nfs/dbraw/zinc/70/61/41/385706141.db2.gz TUBYRSOVMAYIRX-CMPLNLGQSA-N 1 0 233.315 0.962 10 0 BCAERO COC(=O)[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000306948568 385669390 /nfs/dbraw/zinc/66/93/90/385669390.db2.gz UANOHAVRSZZHRC-NSHDSACASA-N 1 0 223.272 0.652 10 0 BCAERO CC(C)(C)OC[C@@H](O)C[NH2+]C(C)(C)CC(N)=O ZINC000186208423 385746020 /nfs/dbraw/zinc/74/60/20/385746020.db2.gz XGSVVPBUPSGSBE-VIFPVBQESA-N 1 0 246.351 0.406 10 0 BCAERO c1nc2n(n1)C[C@H]([NH2+]C[C@@H]1CCSC1)CC2 ZINC000309629978 385753464 /nfs/dbraw/zinc/75/34/64/385753464.db2.gz QYMCEZATMFMIJU-VHSXEESVSA-N 1 0 238.360 0.936 10 0 BCAERO CSC[C@@H](O)C[NH2+][C@@H]1CCC(=O)NC1(C)C ZINC000309627374 385757029 /nfs/dbraw/zinc/75/70/29/385757029.db2.gz GBZXJKCZMCXHQG-DTWKUNHWSA-N 1 0 246.376 0.357 10 0 BCAERO CCc1nc(CC[NH2+][C@H](C)CC(N)=O)no1 ZINC000309669052 385783473 /nfs/dbraw/zinc/78/34/73/385783473.db2.gz VGORMHLJBYDOFL-SSDOTTSWSA-N 1 0 226.280 0.028 10 0 BCAERO COc1nn(C)cc1N[C@@H]1C[N@H+](C)C[C@H]1C ZINC000336711273 385800969 /nfs/dbraw/zinc/80/09/69/385800969.db2.gz SFOIKVLGGJDVBI-RKDXNWHRSA-N 1 0 224.308 0.791 10 0 BCAERO CO[C@@H]1C[NH2+][C@@H](c2csc(=O)[nH]2)C1 ZINC000231876123 385841484 /nfs/dbraw/zinc/84/14/84/385841484.db2.gz AMCAHUVRELGVRF-NTSWFWBYSA-N 1 0 200.263 0.898 10 0 BCAERO COC[C@H](C)[NH2+]C[C@@H](C)N1CCOCC1 ZINC000123548062 385889490 /nfs/dbraw/zinc/88/94/90/385889490.db2.gz OGCZSHUZPACZDN-WDEREUQCSA-N 1 0 216.325 0.332 10 0 BCAERO CN(C[C@H]1CCCO1)C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000647922000 385898136 /nfs/dbraw/zinc/89/81/36/385898136.db2.gz MXUPAXAVFBRFDP-KXUCPTDWSA-N 1 0 212.293 0.361 10 0 BCAERO CC(C)NC(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000308976487 385925070 /nfs/dbraw/zinc/92/50/70/385925070.db2.gz IQVZGXCWQCVQBB-GUBZILKMSA-N 1 0 211.309 0.774 10 0 BCAERO CC(C)NC(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000308976486 385925769 /nfs/dbraw/zinc/92/57/69/385925769.db2.gz IQVZGXCWQCVQBB-AEJSXWLSSA-N 1 0 211.309 0.774 10 0 BCAERO [NH3+][C@H]1CN(Cc2ccc(Cl)o2)C1=O ZINC000575531288 385870486 /nfs/dbraw/zinc/87/04/86/385870486.db2.gz PEKMCAJAHFQDOZ-LURJTMIESA-N 1 0 200.625 0.603 10 0 BCAERO CC[C@@](C)(O)C[NH+]1CCN(C[C@H](C)O)CC1 ZINC000189243089 385976869 /nfs/dbraw/zinc/97/68/69/385976869.db2.gz KRAWNWHJZOPALV-NWDGAFQWSA-N 1 0 230.352 0.146 10 0 BCAERO C[C@@H]([NH3+])[C@@H](C)N1C[C@@H](C)CS1(=O)=O ZINC000307135719 385933172 /nfs/dbraw/zinc/93/31/72/385933172.db2.gz ROMCMOLWZVRSLW-BWZBUEFSSA-N 1 0 206.311 0.004 10 0 BCAERO C[C@]1(CNC(=O)C2([NH3+])CCOCC2)CCCO1 ZINC000128036191 385945862 /nfs/dbraw/zinc/94/58/62/385945862.db2.gz JRNSNWLNGFXXKW-LLVKDONJSA-N 1 0 242.319 0.180 10 0 BCAERO C[NH+](C)[C@@H]1CCN(C(=O)[C@H](N)C(F)(F)F)C1 ZINC000335053493 385951224 /nfs/dbraw/zinc/95/12/24/385951224.db2.gz XKLAVGRCGOPSJW-RQJHMYQMSA-N 1 0 239.241 0.039 10 0 BCAERO [NH3+][C@@H]1CC[C@H](C(=O)NC[C@H]2CCCOC2)C1 ZINC000251457743 385955729 /nfs/dbraw/zinc/95/57/29/385955729.db2.gz UJORJBVJKFCLDC-OUAUKWLOSA-N 1 0 226.320 0.657 10 0 BCAERO CC(=O)NCCCN1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000113269534 386008508 /nfs/dbraw/zinc/00/85/08/386008508.db2.gz BOAHIJAJXBAPMA-DGCLKSJQSA-N 1 0 239.363 0.681 10 0 BCAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)N(C)C ZINC000113269417 386009647 /nfs/dbraw/zinc/00/96/47/386009647.db2.gz RCBWLMHDIVHIIB-GHMZBOCLSA-N 1 0 225.336 0.243 10 0 BCAERO CC(=O)NCCCN1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000113269537 386009949 /nfs/dbraw/zinc/00/99/49/386009949.db2.gz BOAHIJAJXBAPMA-WCQYABFASA-N 1 0 239.363 0.681 10 0 BCAERO CC[C@H](C)C1([NH3+])CCS(=O)(=O)CC1 ZINC000575558614 386010284 /nfs/dbraw/zinc/01/02/84/386010284.db2.gz XNNPQHIADUOCNQ-QMMMGPOBSA-N 1 0 205.323 0.939 10 0 BCAERO C[NH2+][C@H](C)c1cn(C[C@@H](O)C(C)(C)C)nn1 ZINC000309444904 386010576 /nfs/dbraw/zinc/01/05/76/386010576.db2.gz OWYGLCLDRGWNNN-PSASIEDQSA-N 1 0 226.324 0.966 10 0 BCAERO COc1ncccc1C(=O)N1C[C@H](C)[C@H](C[NH3+])C1 ZINC000638904793 386011164 /nfs/dbraw/zinc/01/11/64/386011164.db2.gz RTSZNUCIANMALS-VHSXEESVSA-N 1 0 249.314 0.757 10 0 BCAERO COC[C@@H](C)C(=O)NCC[N@@H+]1CCCOCC1 ZINC000189472505 386013073 /nfs/dbraw/zinc/01/30/73/386013073.db2.gz MDHVCXJBBQFGCF-LLVKDONJSA-N 1 0 244.335 0.107 10 0 BCAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]C[C@@H]1CCCO1 ZINC000336752433 386016581 /nfs/dbraw/zinc/01/65/81/386016581.db2.gz GVSQMAQNURALOM-LPEHRKFASA-N 1 0 212.293 0.422 10 0 BCAERO CS[C@@H]1CC[C@@H]1N1C[C@H]([NH3+])CC1=O ZINC000575565144 386056711 /nfs/dbraw/zinc/05/67/11/386056711.db2.gz DPMRLSXUDSXZGB-GJMOJQLCSA-N 1 0 200.307 0.440 10 0 BCAERO COc1c(CN2CC[NH2+]CC2)c(C)nn1C ZINC000075090361 386054207 /nfs/dbraw/zinc/05/42/07/386054207.db2.gz ODDMBZCTKLXIPK-UHFFFAOYSA-N 1 0 224.308 0.142 10 0 BCAERO C[NH2+][C@H](C(N)=O)c1ccc(F)c(F)c1 ZINC000037869873 386106121 /nfs/dbraw/zinc/10/61/21/386106121.db2.gz GPRWWPWZPPYFPF-QMMMGPOBSA-N 1 0 200.188 0.711 10 0 BCAERO CS(=O)(=O)CCC[NH2+][C@@H]1CCCC[C@H]1O ZINC000038047848 386121830 /nfs/dbraw/zinc/12/18/30/386121830.db2.gz XTEAYAJXCDHNET-NXEZZACHSA-N 1 0 235.349 0.314 10 0 BCAERO CCc1ncnc(N(C)CCOCC[NH3+])c1F ZINC000310067834 386071464 /nfs/dbraw/zinc/07/14/64/386071464.db2.gz OYKXDFWERVMKRI-UHFFFAOYSA-N 1 0 242.298 0.590 10 0 BCAERO COc1ncc(Cl)c(N(C)[C@H](C)C[NH3+])n1 ZINC000125481928 386259214 /nfs/dbraw/zinc/25/92/14/386259214.db2.gz ANBIMAHMRZDCOJ-ZCFIWIBFSA-N 1 0 230.699 0.922 10 0 BCAERO CC[C@](C)(O)C[NH2+][C@H](COC)[C@H]1CCCO1 ZINC000336730636 386280403 /nfs/dbraw/zinc/28/04/03/386280403.db2.gz ILFPRCBHFIJNPN-UTUOFQBUSA-N 1 0 231.336 0.931 10 0 BCAERO CCO[C@@H]1C[C@H]1C(=O)N1CCCC[C@H]1C[NH3+] ZINC000262547081 386285832 /nfs/dbraw/zinc/28/58/32/386285832.db2.gz MOSSQNYKIUPGJC-HBNTYKKESA-N 1 0 226.320 0.751 10 0 BCAERO [NH3+][C@H]1CC[C@@H](C(=O)N2CCN(C3CC3)CC2)C1 ZINC000091544636 386299269 /nfs/dbraw/zinc/29/92/69/386299269.db2.gz UXHSOUXNGNTDAV-MNOVXSKESA-N 1 0 237.347 0.420 10 0 BCAERO CN(Cc1cnn(C)c1)C(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000091546734 386299405 /nfs/dbraw/zinc/29/94/05/386299405.db2.gz JDYUXUQUHYSFRD-GHMZBOCLSA-N 1 0 236.319 0.506 10 0 BCAERO [NH3+][C@H]1CC[C@H](C(=O)N2CCN(C3CC3)CC2)C1 ZINC000091544637 386299460 /nfs/dbraw/zinc/29/94/60/386299460.db2.gz UXHSOUXNGNTDAV-QWRGUYRKSA-N 1 0 237.347 0.420 10 0 BCAERO O=C(NCc1ccccc1)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000416439113 386315969 /nfs/dbraw/zinc/31/59/69/386315969.db2.gz PYUFEWHUYYZKET-NWDGAFQWSA-N 1 0 249.314 0.066 10 0 BCAERO C[C@@]1(C(=O)NCCn2cccn2)CCCC[NH2+]1 ZINC000133374587 386319948 /nfs/dbraw/zinc/31/99/48/386319948.db2.gz DOPWCVBJLRBTMB-LBPRGKRZSA-N 1 0 236.319 0.532 10 0 BCAERO C[C@H]([NH2+]CCCC(=O)NC(N)=O)[C@H]1CCCO1 ZINC000183196181 386329316 /nfs/dbraw/zinc/32/93/16/386329316.db2.gz POPZGSRXXQDNPA-DTWKUNHWSA-N 1 0 243.307 0.119 10 0 BCAERO CO[C@@H]1C[C@@H](CO)[N@H+](CCn2cc(C)cn2)C1 ZINC000344899797 386335787 /nfs/dbraw/zinc/33/57/87/386335787.db2.gz QTSHLKMABJEJHZ-NWDGAFQWSA-N 1 0 239.319 0.273 10 0 BCAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]C/C=C/Cl ZINC000282197905 386396512 /nfs/dbraw/zinc/39/65/12/386396512.db2.gz CMHTVRHECSMXKS-JKUGOPFISA-N 1 0 202.685 0.996 10 0 BCAERO CCN(C)C(=O)C[N@@H+]1C[C@H](O)CC[C@H]1C ZINC000399157925 386431400 /nfs/dbraw/zinc/43/14/00/386431400.db2.gz JCKBQCIZOQBDLA-NXEZZACHSA-N 1 0 214.309 0.310 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N[C@H](C)C(=O)NC(C)(C)C ZINC000134454089 386431730 /nfs/dbraw/zinc/43/17/30/386431730.db2.gz FHKYXESGDGCENL-BDAKNGLRSA-N 1 0 243.351 0.533 10 0 BCAERO COCC1(NC(=O)[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000519538792 386477504 /nfs/dbraw/zinc/47/75/04/386477504.db2.gz FPRUAKOOLOTYCE-ZJUUUORDSA-N 1 0 226.320 0.799 10 0 BCAERO Cc1cnn(CCNC(=O)[C@H]([NH3+])C2CCC2)c1 ZINC000399279835 386477540 /nfs/dbraw/zinc/47/75/40/386477540.db2.gz XAOGSNRDLSDOGU-LLVKDONJSA-N 1 0 236.319 0.435 10 0 BCAERO C[C@@H]([NH3+])C[C@H](C)Nc1cn[nH]c(=O)c1Cl ZINC000320479713 386514746 /nfs/dbraw/zinc/51/47/46/386514746.db2.gz GSXIHGPIFXVDLC-RITPCOANSA-N 1 0 230.699 0.961 10 0 BCAERO C[C@@H](NC(=O)[C@]1(C)C[NH2+]CCO1)C1CC1 ZINC000637893612 386520211 /nfs/dbraw/zinc/52/02/11/386520211.db2.gz UTXKAKJXDLLZHW-KCJUWKMLSA-N 1 0 212.293 0.280 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N1[C@@H](C)COC[C@@H]1C ZINC000161572764 386524880 /nfs/dbraw/zinc/52/48/80/386524880.db2.gz RNYREIQHFQXIHM-GUBZILKMSA-N 1 0 214.309 0.750 10 0 BCAERO C[C@]1(C(=O)N2CCn3ccnc3C2)CC[NH2+]C1 ZINC000062910606 386531514 /nfs/dbraw/zinc/53/15/14/386531514.db2.gz GBMPFCOTDREEMZ-LBPRGKRZSA-N 1 0 234.303 0.225 10 0 BCAERO C[C@@H]1CC[C@H](C[NH2+][C@H]2CCC(=O)N[C@H]2C)O1 ZINC000336780238 386533173 /nfs/dbraw/zinc/53/31/73/386533173.db2.gz QRBQLXAPZFFSJD-YTWAJWBKSA-N 1 0 226.320 0.811 10 0 BCAERO Cc1oncc1CN1C[C@@H](F)C[C@H]1C[NH3+] ZINC000238853587 386533937 /nfs/dbraw/zinc/53/39/37/386533937.db2.gz KHZJHHNOADECNC-UWVGGRQHSA-N 1 0 213.256 0.854 10 0 BCAERO Cc1nnc(N2C[C@H](F)C[C@@H]2C[NH3+])o1 ZINC000238853308 386535167 /nfs/dbraw/zinc/53/51/67/386535167.db2.gz IYZHGWJLLOFEIN-RNFRBKRXSA-N 1 0 200.217 0.254 10 0 BCAERO CC(C)n1ccnc1CN(C)C[C@@H](O)C[NH3+] ZINC000519757104 386547384 /nfs/dbraw/zinc/54/73/84/386547384.db2.gz GYRYJXABIWUZLW-JTQLQIEISA-N 1 0 226.324 0.215 10 0 BCAERO CC1CC(C(=O)N(C)CCN2CC[NH2+]CC2)C1 ZINC000647776568 386561335 /nfs/dbraw/zinc/56/13/35/386561335.db2.gz LSHDPUKJPWJYTH-UHFFFAOYSA-N 1 0 239.363 0.396 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N(C)CCCOC ZINC000062033636 386561730 /nfs/dbraw/zinc/56/17/30/386561730.db2.gz FHBPZIWIYYZNRF-VIFPVBQESA-N 1 0 202.298 0.609 10 0 BCAERO CN(C[C@@H]1CCCO1)C(=O)[C@@H]1CC[NH2+]C1 ZINC000062116418 386568530 /nfs/dbraw/zinc/56/85/30/386568530.db2.gz FPKCHYZIMQXULW-ZJUUUORDSA-N 1 0 212.293 0.233 10 0 BCAERO C[C@@]1(C(=O)N2CCn3ccnc3C2)CCCC[NH2+]1 ZINC000136206998 386571518 /nfs/dbraw/zinc/57/15/18/386571518.db2.gz PQVZXVZGGQYQAF-ZDUSSCGKSA-N 1 0 248.330 0.758 10 0 BCAERO COC(=O)CCC[NH2+][C@@H]1CCC(=O)N[C@H]1C ZINC000336758001 386623784 /nfs/dbraw/zinc/62/37/84/386623784.db2.gz HZHWALZYCKRUJS-DTWKUNHWSA-N 1 0 228.292 0.196 10 0 BCAERO CCOCC[NH2+][C@@H]1CCC(=O)N[C@H]1C ZINC000336646485 386633868 /nfs/dbraw/zinc/63/38/68/386633868.db2.gz CZXFJVUJYJJQEQ-DTWKUNHWSA-N 1 0 200.282 0.280 10 0 BCAERO C[C@@H]1[NH2+]CC[C@H]1NC(=O)CC(F)(F)F ZINC000307419344 386648471 /nfs/dbraw/zinc/64/84/71/386648471.db2.gz HLBIBJHRKSHSHT-NTSWFWBYSA-N 1 0 210.199 0.805 10 0 BCAERO O=C(CC1CCCC1)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000335495396 386616824 /nfs/dbraw/zinc/61/68/24/386616824.db2.gz HMPIRVIDFQQWEZ-NWDGAFQWSA-N 1 0 238.331 0.766 10 0 BCAERO C[C@@H]1C[N@H+](CC2(O)CCC2)C[C@@H]1N(C)C ZINC000335529494 386675403 /nfs/dbraw/zinc/67/54/03/386675403.db2.gz MPRGFTPUMLMVLB-MNOVXSKESA-N 1 0 212.337 0.783 10 0 BCAERO Cc1nc(OC2C[NH2+]C2)ncc1Br ZINC000307497228 386689734 /nfs/dbraw/zinc/68/97/34/386689734.db2.gz OEYPPOIKQQBBDG-UHFFFAOYSA-N 1 0 244.092 0.898 10 0 BCAERO [NH3+][C@H]1CCN(c2nnnn2-c2ccccc2)C1 ZINC000050244247 386691637 /nfs/dbraw/zinc/69/16/37/386691637.db2.gz AAQSOWUEOVIHSE-VIFPVBQESA-N 1 0 230.275 0.200 10 0 BCAERO Cc1[nH]nc(C(=O)N2CC[C@@H]([NH3+])[C@H]2C)c1C ZINC000335472359 386692290 /nfs/dbraw/zinc/69/22/90/386692290.db2.gz YPJMJNOGIMWALL-RKDXNWHRSA-N 1 0 222.292 0.588 10 0 BCAERO C[C@H]1OCC[C@@H]1NC(=O)N1CC[NH2+][C@H](C)C1 ZINC000417950638 386741924 /nfs/dbraw/zinc/74/19/24/386741924.db2.gz MBCMJKUFEKBLHR-BBBLOLIVSA-N 1 0 227.308 0.167 10 0 BCAERO CC[NH2+][C@H](C)C(=O)NC[C@H]1CCC[C@@H]1O ZINC000637963435 386790338 /nfs/dbraw/zinc/79/03/38/386790338.db2.gz CFAIDFGWISCPAP-BBBLOLIVSA-N 1 0 214.309 0.262 10 0 BCAERO CCOC(=O)CC[N@@H+]1CCC[C@H](O)[C@@H]1C ZINC000394973835 386770346 /nfs/dbraw/zinc/77/03/46/386770346.db2.gz KJNGOHQMZBGKTM-UWVGGRQHSA-N 1 0 215.293 0.785 10 0 BCAERO Cc1c(C[NH2+]CC2([S@](C)=O)CC2)cnn1C ZINC000336667236 386783389 /nfs/dbraw/zinc/78/33/89/386783389.db2.gz FPKNDSZVDGKPCP-INIZCTEOSA-N 1 0 241.360 0.729 10 0 BCAERO CO[C@@H]1C[C@H]([NH2+][C@@H]2COC[C@H]2O)C12CCC2 ZINC000308349432 386823724 /nfs/dbraw/zinc/82/37/24/386823724.db2.gz SUUUADGUTABHIO-CHWFTXMASA-N 1 0 227.304 0.293 10 0 BCAERO O=S1(=O)CCC[C@@H]1C[C@H]1CCC[NH2+]1 ZINC000575450722 386797135 /nfs/dbraw/zinc/79/71/35/386797135.db2.gz RAVQZQWKLGEGNB-RKDXNWHRSA-N 1 0 203.307 0.706 10 0 BCAERO [NH3+][C@@H]1CCO[C@@H]1[C@@H](O)c1cscn1 ZINC000575454371 386838529 /nfs/dbraw/zinc/83/85/29/386838529.db2.gz PUOSJKWBOZTMAV-DTLFHODZSA-N 1 0 200.263 0.293 10 0 BCAERO CS[C@@H]1CC[C@H]1[NH2+][C@@H]1CCCNC1=O ZINC000425341752 386846148 /nfs/dbraw/zinc/84/61/48/386846148.db2.gz GDIVOGNUXFBGPW-IWSPIJDZSA-N 1 0 214.334 0.749 10 0 BCAERO [NH3+][C@H]1C[C@@H](C(=O)N[C@@H]2CCC[C@H](O)C2)C1 ZINC000647980212 386873053 /nfs/dbraw/zinc/87/30/53/386873053.db2.gz MELOCFHBQVASIY-RGOKHQFPSA-N 1 0 212.293 0.143 10 0 BCAERO COC(=O)C1CC[NH+](CC2(O)CCC2)CC1 ZINC000341380559 386897060 /nfs/dbraw/zinc/89/70/60/386897060.db2.gz ULZWQRTVOPQUPY-UHFFFAOYSA-N 1 0 227.304 0.786 10 0 BCAERO CC[N@H+](C)[C@@H]1CCN(c2ccc3nnnn3n2)C1 ZINC000302747975 386934608 /nfs/dbraw/zinc/93/46/08/386934608.db2.gz FTSLJRDUMGAGGD-SECBINFHSA-N 1 0 247.306 0.050 10 0 BCAERO COC(=O)CCCN1CCO[C@@H](C[NH+](C)C)C1 ZINC000116399440 386944741 /nfs/dbraw/zinc/94/47/41/386944741.db2.gz KVZQBPOPRLKCTL-NSHDSACASA-N 1 0 244.335 0.202 10 0 BCAERO C[NH+](C)CC(=O)N[C@H]1CCCC[C@@H]1CO ZINC000157199459 386960139 /nfs/dbraw/zinc/96/01/39/386960139.db2.gz KVSPXCANLWSSDI-ZJUUUORDSA-N 1 0 214.309 0.215 10 0 BCAERO CCN(C)C(=O)C[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000398706179 386960068 /nfs/dbraw/zinc/96/00/68/386960068.db2.gz NJAFYONJWBBPEE-QJPTWQEYSA-N 1 0 240.347 0.558 10 0 BCAERO [NH3+]C[C@@H]1CCCN1C(=O)c1ccc2n[nH]nc2c1 ZINC000518976305 386966103 /nfs/dbraw/zinc/96/61/03/386966103.db2.gz NLUVTZJRSJDSTI-VIFPVBQESA-N 1 0 245.286 0.521 10 0 BCAERO CCNC(=O)CC[N@@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000398730992 386975779 /nfs/dbraw/zinc/97/57/79/386975779.db2.gz VQICRHAUBJUDFB-SRVKXCTJSA-N 1 0 240.347 0.605 10 0 BCAERO COC(=O)[C@H](C)[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000398734346 386976061 /nfs/dbraw/zinc/97/60/61/386976061.db2.gz WPZIEBIHDNZXEW-XWLWVQCSSA-N 1 0 227.304 0.641 10 0 BCAERO CCO[C@@H](C)C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000116797439 386977967 /nfs/dbraw/zinc/97/79/67/386977967.db2.gz HICSDCSNTVZECN-WDEREUQCSA-N 1 0 244.335 0.200 10 0 BCAERO OCCCC[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000398738864 386980770 /nfs/dbraw/zinc/98/07/70/386980770.db2.gz FLTNFJBRXIIKII-QJPTWQEYSA-N 1 0 213.321 0.852 10 0 BCAERO C[C@@H]1CC[C@@H]([NH2+][C@H]2CNOC2)CS1 ZINC000575575248 386991788 /nfs/dbraw/zinc/99/17/88/386991788.db2.gz GGEFPODQOZMDNG-HLTSFMKQSA-N 1 0 202.323 0.764 10 0 BCAERO c1nc2ncnc(NCC[C@H]3CC[NH2+]C3)c2[nH]1 ZINC000104364542 387002965 /nfs/dbraw/zinc/00/29/65/387002965.db2.gz WBOLNBCKSQIKRE-MRVPVSSYSA-N 1 0 232.291 0.764 10 0 BCAERO O=[S@]([C@H]1CCOC1)C1CC[NH2+]CC1 ZINC000575576107 387005432 /nfs/dbraw/zinc/00/54/32/387005432.db2.gz KRBRYBIAKQMOFX-ZANVPECISA-N 1 0 203.307 0.276 10 0 BCAERO O=[S@@]([C@H]1CCOC1)[C@@H]1CCC[NH2+]C1 ZINC000575575501 387006878 /nfs/dbraw/zinc/00/68/78/387006878.db2.gz HJDIEDSQPZMLAJ-VYUIOLGVSA-N 1 0 203.307 0.276 10 0 BCAERO O[C@@H](c1cncs1)[C@H]1CSCC[NH2+]1 ZINC000575456916 387030912 /nfs/dbraw/zinc/03/09/12/387030912.db2.gz BWJIFXKFPJKYPQ-HTRCEHHLSA-N 1 0 216.331 0.882 10 0 BCAERO Cn1ncc(N2CC[C@@H]([NH3+])C2)c1Br ZINC000575456865 387031425 /nfs/dbraw/zinc/03/14/25/387031425.db2.gz XMMOEKIBPRXDEH-ZCFIWIBFSA-N 1 0 245.124 0.720 10 0 BCAERO O[C@H](c1ccsn1)[C@H]1C[NH2+]CCO1 ZINC000575462395 387035444 /nfs/dbraw/zinc/03/54/44/387035444.db2.gz TWLFNHWYPZUEFW-HTQZYQBOSA-N 1 0 200.263 0.165 10 0 BCAERO O=S1(=O)CCCC[C@@H]1CC1C[NH2+]C1 ZINC000575459726 387037459 /nfs/dbraw/zinc/03/74/59/387037459.db2.gz LPFSDDCONPLIPE-SECBINFHSA-N 1 0 203.307 0.563 10 0 BCAERO CCOC[C@H]1C[N@H+](C[C@@](C)(O)CC)CCO1 ZINC000528725633 387046714 /nfs/dbraw/zinc/04/67/14/387046714.db2.gz RSUMOOPOBWKREW-NEPJUHHUSA-N 1 0 231.336 0.885 10 0 BCAERO CC[C@@H](O)C[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000399058505 387051339 /nfs/dbraw/zinc/05/13/39/387051339.db2.gz NKFJULOTTWGLHS-IRCOFANPSA-N 1 0 213.321 0.850 10 0 BCAERO NC(=[NH2+])Nc1cccc([C@@H]([NH3+])CC(=O)[O-])c1 ZINC000575434179 387058816 /nfs/dbraw/zinc/05/88/16/387058816.db2.gz PHVRBIIQHOZPCR-QMMMGPOBSA-N 1 0 222.248 0.466 10 0 BCAERO [NH3+][C@@H]1CCO[C@H]1[C@H](O)c1ccsn1 ZINC000575466393 387064145 /nfs/dbraw/zinc/06/41/45/387064145.db2.gz MNXCAUPNMSDAKT-LPBLVHEISA-N 1 0 200.263 0.293 10 0 BCAERO [NH3+][C@@H]1CCO[C@H]1[C@@H](O)c1ccsn1 ZINC000575466394 387065181 /nfs/dbraw/zinc/06/51/81/387065181.db2.gz MNXCAUPNMSDAKT-MHSYXAOVSA-N 1 0 200.263 0.293 10 0 BCAERO NC(=S)[C@H]1CC[N@@H+]([C@H]2CCOC2)C1 ZINC000575456251 387027854 /nfs/dbraw/zinc/02/78/54/387027854.db2.gz QUNLYBLELINFJA-YUMQZZPRSA-N 1 0 200.307 0.383 10 0 BCAERO O[C@H](C1=COCC1)[C@H]1C[NH2+]CCS1 ZINC000575458850 387029262 /nfs/dbraw/zinc/02/92/62/387029262.db2.gz QYJWHCNNWRRMDF-RKDXNWHRSA-N 1 0 201.291 0.357 10 0 BCAERO CSC[C@@H](C)NC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188599670 387072802 /nfs/dbraw/zinc/07/28/02/387072802.db2.gz XEOARHYKACSQLH-GJMOJQLCSA-N 1 0 220.313 0.554 10 0 BCAERO COc1nc([C@H]2COC[C@H]2[NH3+])cs1 ZINC000575468141 387080243 /nfs/dbraw/zinc/08/02/43/387080243.db2.gz ZBAZRLNCILCXOC-NTSWFWBYSA-N 1 0 200.263 0.593 10 0 BCAERO O[C@@H](c1ccsn1)[C@@H]1CSCC[NH2+]1 ZINC000575470548 387101968 /nfs/dbraw/zinc/10/19/68/387101968.db2.gz CZJLNXKTLQFQCV-YUMQZZPRSA-N 1 0 216.331 0.882 10 0 BCAERO Cc1cnccc1CNC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000228691043 387106373 /nfs/dbraw/zinc/10/63/73/387106373.db2.gz VUKAOYQCGUYJDI-ZYHUDNBSSA-N 1 0 233.315 0.862 10 0 BCAERO C[C@@]1(C(=O)NCc2c[nH]cn2)CCCC[NH2+]1 ZINC000127532395 387106632 /nfs/dbraw/zinc/10/66/32/387106632.db2.gz AUHJASQLOMGWKO-NSHDSACASA-N 1 0 222.292 0.558 10 0 BCAERO C[C@@H]([NH3+])C(=O)Nc1sccc1C(N)=O ZINC000040419675 387119608 /nfs/dbraw/zinc/11/96/08/387119608.db2.gz YIDIUPJMBOMRJT-SCSAIBSYSA-N 1 0 213.262 0.133 10 0 BCAERO Cc1ccnc(NC(=O)C2([NH3+])CCOCC2)c1 ZINC000127728183 387120456 /nfs/dbraw/zinc/12/04/56/387120456.db2.gz DXALVIFOVNOISL-UHFFFAOYSA-N 1 0 235.287 0.836 10 0 BCAERO COc1cc([C@@H]2[NH2+]CC[C@@H]2O)ccc1O ZINC000107208085 387155386 /nfs/dbraw/zinc/15/53/86/387155386.db2.gz AZOWGSRWOSHKRG-ONGXEEELSA-N 1 0 209.245 0.796 10 0 BCAERO COC(=O)[C@@H]1CC[C@@H](C[NH3+])N1c1ccn(C)c1 ZINC000536955769 387169156 /nfs/dbraw/zinc/16/91/56/387169156.db2.gz STWYPOYFOIOCAV-ONGXEEELSA-N 1 0 237.303 0.494 10 0 BCAERO C[C@H]([NH3+])CC(=O)Nc1n[nH]cc1Br ZINC000306205622 387175882 /nfs/dbraw/zinc/17/58/82/387175882.db2.gz GXVZZQXWTGMPRU-BYPYZUCNSA-N 1 0 247.096 0.848 10 0 BCAERO Cn1nc(CC2([NH3+])COC2)cc1Cl ZINC000575589207 387186097 /nfs/dbraw/zinc/18/60/97/387186097.db2.gz CMVAHYNGXKYUBS-UHFFFAOYSA-N 1 0 201.657 0.344 10 0 BCAERO CC(C)(O)C[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000062982054 387189188 /nfs/dbraw/zinc/18/91/88/387189188.db2.gz SCKPSUWGGOXWRQ-NSHDSACASA-N 1 0 228.336 0.164 10 0 BCAERO C[C@@H](O)CCC[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000062982447 387190308 /nfs/dbraw/zinc/19/03/08/387190308.db2.gz AUKTZPOCWZEEAW-OLZOCXBDSA-N 1 0 242.363 0.554 10 0 BCAERO CCOC(=O)[C@@H]1CC[C@@H]2[NH2+]CCC[C@@H]2N1 ZINC000575440629 387135289 /nfs/dbraw/zinc/13/52/89/387135289.db2.gz YLGLLQOJEMREKA-GUBZILKMSA-N 1 0 212.293 0.422 10 0 BCAERO CCOC(=O)[C@@H]1CC[C@@H]2[NH2+]CCC[C@H]2N1 ZINC000575440627 387135379 /nfs/dbraw/zinc/13/53/79/387135379.db2.gz YLGLLQOJEMREKA-AEJSXWLSSA-N 1 0 212.293 0.422 10 0 BCAERO [NH2+]=C(C1CC1)N1CCC[S@](=O)CC1 ZINC000306492994 387217044 /nfs/dbraw/zinc/21/70/44/387217044.db2.gz YIAXPALVJHIFHE-ZDUSSCGKSA-N 1 0 200.307 0.828 10 0 BCAERO CCC[C@H](C(=O)NCC(=O)OCC)[NH+](C)C ZINC000161662156 387253750 /nfs/dbraw/zinc/25/37/50/387253750.db2.gz KEEIOOVJNXGPEW-SECBINFHSA-N 1 0 230.308 0.396 10 0 BCAERO CSC[C@@H](O)CN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000188067996 387248330 /nfs/dbraw/zinc/24/83/30/387248330.db2.gz ONTSTRUCJPQCRK-NEPJUHHUSA-N 1 0 244.404 0.880 10 0 BCAERO C[C@@H]([NH2+]CC(=O)N1CCOCC1)[C@@H]1C[C@H]1C ZINC000321479197 387250875 /nfs/dbraw/zinc/25/08/75/387250875.db2.gz IRFRAVWALFKMAM-GMTAPVOTSA-N 1 0 226.320 0.479 10 0 BCAERO COCCOCC(=O)N1C[C@H](C)[C@H]([NH+](C)C)C1 ZINC000229729653 387194813 /nfs/dbraw/zinc/19/48/13/387194813.db2.gz UKFAFQCXQSYVRN-WDEREUQCSA-N 1 0 244.335 0.058 10 0 BCAERO COCCOCC(=O)N1C[C@@H](C)[C@H]([NH+](C)C)C1 ZINC000229729645 387195032 /nfs/dbraw/zinc/19/50/32/387195032.db2.gz UKFAFQCXQSYVRN-GHMZBOCLSA-N 1 0 244.335 0.058 10 0 BCAERO CC[C@@](C)(O)C[N@@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000229875525 387199342 /nfs/dbraw/zinc/19/93/42/387199342.db2.gz CBQBGUPUSMFNIU-ZYHUDNBSSA-N 1 0 226.320 0.454 10 0 BCAERO NC(=S)C[N@@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000575483379 387201478 /nfs/dbraw/zinc/20/14/78/387201478.db2.gz FVRNTRVYVGWFFF-YUMQZZPRSA-N 1 0 200.307 0.241 10 0 BCAERO C[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C)c1nccn1C ZINC000393066777 387311243 /nfs/dbraw/zinc/31/12/43/387311243.db2.gz YACSCAWKKBXBLE-LPEHRKFASA-N 1 0 236.319 0.738 10 0 BCAERO Cc1cnn(C)c1C[NH2+][C@H]1CCC(=O)N[C@H]1C ZINC000286160547 387316337 /nfs/dbraw/zinc/31/63/37/387316337.db2.gz WHEQHGBILIMYPE-UWVGGRQHSA-N 1 0 236.319 0.485 10 0 BCAERO [NH3+]CC/C=C1/CCCS(=O)(=O)CC1 ZINC000575488827 387258393 /nfs/dbraw/zinc/25/83/93/387258393.db2.gz XYSAUUWKSBEMMF-OQFOIZHKSA-N 1 0 203.307 0.860 10 0 BCAERO C[C@@H]1CC[NH2+]C[C@@H]1CN=S(C)(C)=O ZINC000575489150 387259234 /nfs/dbraw/zinc/25/92/34/387259234.db2.gz ZYLPSDSNVMVNCN-RKDXNWHRSA-N 1 0 204.339 0.960 10 0 BCAERO COC(=O)c1ccc(N[C@H](C)C[C@@H](C)[NH3+])nn1 ZINC000320353942 387262499 /nfs/dbraw/zinc/26/24/99/387262499.db2.gz OQEWBMIOCOIMAR-HTQZYQBOSA-N 1 0 238.291 0.801 10 0 BCAERO C[C@H](O)[C@@]1([NH3+])CCN(Cc2ccccc2)C1 ZINC000575493286 387271098 /nfs/dbraw/zinc/27/10/98/387271098.db2.gz IGQFEZOLASQSLK-WCQYABFASA-N 1 0 220.316 0.971 10 0 BCAERO CCC1(O)CCN(C(=O)[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000514737582 387284476 /nfs/dbraw/zinc/28/44/76/387284476.db2.gz WFPUZPORJGGSFE-GHMZBOCLSA-N 1 0 240.347 0.605 10 0 BCAERO CCOC(=O)COCC[NH2+]C[C@H](O)C(C)(C)C ZINC000324498877 387290748 /nfs/dbraw/zinc/29/07/48/387290748.db2.gz NMXFUIQMYVFFTR-JTQLQIEISA-N 1 0 247.335 0.563 10 0 BCAERO CCN(CC)C(=O)C[NH2+][C@H]1CCC(=O)N[C@@H]1C ZINC000393000878 387308179 /nfs/dbraw/zinc/30/81/79/387308179.db2.gz KPIUVLILMVNAFD-ZJUUUORDSA-N 1 0 241.335 0.112 10 0 BCAERO C[C@@H]([NH3+])[C@](C)(O)c1cnc(Cl)n1C ZINC000575507915 387368462 /nfs/dbraw/zinc/36/84/62/387368462.db2.gz NVMPAHNLTMCCGV-XRGYYRRGSA-N 1 0 203.673 0.628 10 0 BCAERO Cn1c(Cl)ncc1[C@]1(O)CC[NH2+]C1 ZINC000575505917 387371978 /nfs/dbraw/zinc/37/19/78/387371978.db2.gz AOCMKCAPGDVWHS-QMMMGPOBSA-N 1 0 201.657 0.254 10 0 BCAERO Cn1nnc(Br)c1[C@H]1C[C@H]([NH3+])CO1 ZINC000575506071 387372716 /nfs/dbraw/zinc/37/27/16/387372716.db2.gz CDYHSHYVQGIUJX-CRCLSJGQSA-N 1 0 247.096 0.366 10 0 BCAERO Cc1cnn(CC[N@@H+]2CC[C@@H](CCO)C2)c1 ZINC000303143124 387325443 /nfs/dbraw/zinc/32/54/43/387325443.db2.gz PIQSZEKGBYTNRO-LBPRGKRZSA-N 1 0 223.320 0.896 10 0 BCAERO C[C@@H]1CC[N@H+](CC(N)=S)C[C@H](C)O1 ZINC000575498890 387344816 /nfs/dbraw/zinc/34/48/16/387344816.db2.gz ANJYQZNAROWINH-SFYZADRCSA-N 1 0 202.323 0.772 10 0 BCAERO c1cn2c(n1)C[C@@H](C[NH2+][C@@H]1CCOC1)CC2 ZINC000368432911 387352513 /nfs/dbraw/zinc/35/25/13/387352513.db2.gz KQLUQGGUNZWAIK-WDEREUQCSA-N 1 0 221.304 0.824 10 0 BCAERO c1cn2c(n1)C[C@H](C[NH2+][C@H]1CCOC1)CC2 ZINC000368432909 387353123 /nfs/dbraw/zinc/35/31/23/387353123.db2.gz KQLUQGGUNZWAIK-MNOVXSKESA-N 1 0 221.304 0.824 10 0 BCAERO C[N@H+](CCn1cccn1)[C@H]1CCC[C@@H]1O ZINC000352662033 387426041 /nfs/dbraw/zinc/42/60/41/387426041.db2.gz ZVPQAXIEMJPNMZ-QWRGUYRKSA-N 1 0 209.293 0.728 10 0 BCAERO CCN(CC)C(=O)C[N@H+](C)[C@H]1CCC[C@H]1O ZINC000352661353 387427099 /nfs/dbraw/zinc/42/70/99/387427099.db2.gz SIQOWTXGBMTSKT-WDEREUQCSA-N 1 0 228.336 0.700 10 0 BCAERO C[C@@H]([NH3+])C(=O)N[C@@H]1CCCSCC1 ZINC000575517223 387428603 /nfs/dbraw/zinc/42/86/03/387428603.db2.gz CQKCIKRADOFDQU-HTQZYQBOSA-N 1 0 202.323 0.736 10 0 BCAERO Cc1nc(CN(C)[C@@H]2CCC[C@@H]2O)no1 ZINC000352667025 387428852 /nfs/dbraw/zinc/42/88/52/387428852.db2.gz JEHMNHXOWYMOGR-BDAKNGLRSA-N 1 0 211.265 0.723 10 0 BCAERO Cc1nc(CN(C)[C@H]2CCC[C@H]2O)no1 ZINC000352667026 387429769 /nfs/dbraw/zinc/42/97/69/387429769.db2.gz JEHMNHXOWYMOGR-DTWKUNHWSA-N 1 0 211.265 0.723 10 0 BCAERO C([C@H]1C[NH2+]CCS1)N1CCSCC1 ZINC000575522749 387443756 /nfs/dbraw/zinc/44/37/56/387443756.db2.gz GHYJWQXEIVPYFE-SECBINFHSA-N 1 0 218.391 0.740 10 0 BCAERO Cn1ccnc1C[NH2+][C@H]1CCC[C@H](O)C1 ZINC000051923438 387449959 /nfs/dbraw/zinc/44/99/59/387449959.db2.gz XIOSQIJNWUMDOG-UWVGGRQHSA-N 1 0 209.293 0.813 10 0 BCAERO O=C1c2ccccc2C(=O)N1C[C@@]1(O)CC[NH2+]C1 ZINC000306274798 387455977 /nfs/dbraw/zinc/45/59/77/387455977.db2.gz BEWBFGDMIGUKFG-CYBMUJFWSA-N 1 0 246.266 0.007 10 0 BCAERO CCN(CC(=O)OC)C(=O)[C@@H]1CCC[NH2+][C@H]1C ZINC000423750245 387408888 /nfs/dbraw/zinc/40/88/88/387408888.db2.gz XHNZAFITTDTYLE-VHSXEESVSA-N 1 0 242.319 0.396 10 0 BCAERO C[N@H+](CCN1CCCC1=O)[C@@H]1CCC[C@@H]1O ZINC000352658256 387422991 /nfs/dbraw/zinc/42/29/91/387422991.db2.gz INMWCWOMUFPLKS-MNOVXSKESA-N 1 0 226.320 0.454 10 0 BCAERO CO[C@H]1C[NH2+][C@@H](C(=O)Nc2ncc(C)s2)C1 ZINC000040630530 387497706 /nfs/dbraw/zinc/49/77/06/387497706.db2.gz MUABCIFYZAXOSO-HTQZYQBOSA-N 1 0 241.316 0.767 10 0 BCAERO CO[C@H]1C[NH2+][C@@H](C(=O)N2CCC(C)CC2)C1 ZINC000040629274 387498860 /nfs/dbraw/zinc/49/88/60/387498860.db2.gz XSKKAFBIUKZTIY-GHMZBOCLSA-N 1 0 226.320 0.622 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]([C@@H](O)c2ccccn2)O1 ZINC000584626187 387504168 /nfs/dbraw/zinc/50/41/68/387504168.db2.gz UKTMLAXYLYMIDO-IEBDPFPHSA-N 1 0 208.261 0.492 10 0 BCAERO Cc1cc(CNC(=O)C[C@@H]([NH3+])C(C)C)[nH]n1 ZINC000648079618 387508743 /nfs/dbraw/zinc/50/87/43/387508743.db2.gz FPTFXMNJULOTKN-SNVBAGLBSA-N 1 0 224.308 0.708 10 0 BCAERO Cn1c(Cl)ncc1[C@@H]1COC[C@H]1[NH3+] ZINC000575529920 387541028 /nfs/dbraw/zinc/54/10/28/387541028.db2.gz GNNPZVIVCMITIK-PHDIDXHHSA-N 1 0 201.657 0.515 10 0 BCAERO CCCCCC(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000424066558 387476226 /nfs/dbraw/zinc/47/62/26/387476226.db2.gz YLADMGRLSRBKFU-WDEREUQCSA-N 1 0 226.320 0.766 10 0 BCAERO C[C@H]1CCN1C(=O)[C@@H]1C[NH2+]CCS1 ZINC000575536807 387585997 /nfs/dbraw/zinc/58/59/97/387585997.db2.gz AKCDWDIFAONORV-YUMQZZPRSA-N 1 0 200.307 0.312 10 0 BCAERO C[C@]12C[NH2+]C[C@H]1CN(C(=O)C(F)(F)F)C2 ZINC000575545525 387628432 /nfs/dbraw/zinc/62/84/32/387628432.db2.gz MKEFRACLHGBTHQ-POYBYMJQSA-N 1 0 222.210 0.617 10 0 BCAERO CC[C@@H](CCO)[NH2+]Cc1c(C)nn(C)c1OC ZINC000123812684 387595872 /nfs/dbraw/zinc/59/58/72/387595872.db2.gz RDYJKPXLKLILRV-JTQLQIEISA-N 1 0 241.335 0.988 10 0 BCAERO Cc1cc(C[NH2+][C@@H]2CCCN(CCO)C2)ccn1 ZINC000527535452 387629525 /nfs/dbraw/zinc/62/95/25/387629525.db2.gz TZIFVMQUFRMHDX-CQSZACIVSA-N 1 0 249.358 0.936 10 0 BCAERO CC[C@H](COC)[NH2+][C@H]1CCc2ncnn2C1 ZINC000118972522 387553430 /nfs/dbraw/zinc/55/34/30/387553430.db2.gz AMHYFHQBGYTGJX-ZJUUUORDSA-N 1 0 224.308 0.608 10 0 BCAERO C[C@@H]([NH3+])C(=O)N[C@H]1CC[C@H](C)SC1 ZINC000575534194 387556158 /nfs/dbraw/zinc/55/61/58/387556158.db2.gz IBWLKMKHUSBMJI-RNJXMRFFSA-N 1 0 202.323 0.734 10 0 BCAERO C[C@H]([NH3+])C(=O)N[C@H]1CC[C@@H](C)SC1 ZINC000575534182 387556582 /nfs/dbraw/zinc/55/65/82/387556582.db2.gz IBWLKMKHUSBMJI-CSMHCCOUSA-N 1 0 202.323 0.734 10 0 BCAERO COCC(C)(C)C[N@@H+]1CCO[C@@H](CO)C1 ZINC000426414120 387566596 /nfs/dbraw/zinc/56/65/96/387566596.db2.gz AWFPYGVCLNHVJT-SNVBAGLBSA-N 1 0 217.309 0.352 10 0 BCAERO CC(C)C[C@@]1([NH3+])CCS(=O)(=O)[C@H]1C ZINC000575550177 387642361 /nfs/dbraw/zinc/64/23/61/387642361.db2.gz QKDFXFRTFFNGQF-IUCAKERBSA-N 1 0 205.323 0.937 10 0 BCAERO CN(C)C[C@H](O)C[NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000305776412 387649769 /nfs/dbraw/zinc/64/97/69/387649769.db2.gz KRCXUJGAFZSWEQ-DDHJBXDOSA-N 1 0 242.363 0.312 10 0 BCAERO C[NH+](C)[C@H]1CCN(C(=O)Cc2ccoc2)C1 ZINC000123120771 387657513 /nfs/dbraw/zinc/65/75/13/387657513.db2.gz BFWUBTOXWYCTBL-NSHDSACASA-N 1 0 222.288 0.985 10 0 BCAERO COc1ccc(C[N@@H+]2C[C@@H](O)C[C@@H]2CO)cc1 ZINC000376897886 387676506 /nfs/dbraw/zinc/67/65/06/387676506.db2.gz TYAJPVJEVOGZEO-NEPJUHHUSA-N 1 0 237.299 0.623 10 0 BCAERO CC[S@](=O)N1C[C@H]2C[NH2+]C[C@@]2(C)C1 ZINC000575555651 387694091 /nfs/dbraw/zinc/69/40/91/387694091.db2.gz AHKQAKDSOAXHOZ-ZDMBXUJBSA-N 1 0 202.323 0.211 10 0 BCAERO [NH3+]C1(c2cnsc2)COCCOC1 ZINC000575571868 387748012 /nfs/dbraw/zinc/74/80/12/387748012.db2.gz XTXNXVCRKGGFOF-UHFFFAOYSA-N 1 0 200.263 0.344 10 0 BCAERO NC1(c2ccsn2)COCCOC1 ZINC000575559536 387702029 /nfs/dbraw/zinc/70/20/29/387702029.db2.gz HVGUPPWMLULXMW-UHFFFAOYSA-N 1 0 200.263 0.344 10 0 BCAERO COC(=O)C1(C(=O)N2CC[C@@H]([NH+](C)C)C2)CC1 ZINC000127271315 387709160 /nfs/dbraw/zinc/70/91/60/387709160.db2.gz UUIUTFFYAHIGTF-SECBINFHSA-N 1 0 240.303 0.102 10 0 BCAERO CC(C)(C)OC(=O)N1CC([C@@H]2COCC[NH2+]2)C1 ZINC000575447880 387709951 /nfs/dbraw/zinc/70/99/51/387709951.db2.gz XYSFNMYJMVYCHE-JTQLQIEISA-N 1 0 242.319 0.842 10 0 BCAERO CC(C)(C)OC(=O)N1CC([C@H]2COCC[NH2+]2)C1 ZINC000575447881 387710501 /nfs/dbraw/zinc/71/05/01/387710501.db2.gz XYSFNMYJMVYCHE-SNVBAGLBSA-N 1 0 242.319 0.842 10 0 BCAERO Cc1cnc(C[NH2+][C@H]2CCC(=O)N[C@H]2C)cn1 ZINC000440943455 387713157 /nfs/dbraw/zinc/71/31/57/387713157.db2.gz QSYKGMRSAYXWQS-ONGXEEELSA-N 1 0 234.303 0.542 10 0 BCAERO CCN(C)C(=O)N1C[C@@H](C)[C@@H]([NH+](C)C)C1 ZINC000127593427 387716345 /nfs/dbraw/zinc/71/63/45/387716345.db2.gz GEJPLSYMJMNHFB-ZJUUUORDSA-N 1 0 213.325 0.940 10 0 BCAERO [NH3+][C@@]1(Cc2cnsn2)CCSC1 ZINC000575564897 387724020 /nfs/dbraw/zinc/72/40/20/387724020.db2.gz JRNUUKXJGTZZNV-SSDOTTSWSA-N 1 0 201.320 0.915 10 0 BCAERO COc1ncc([C@]2([NH3+])CCOC2)s1 ZINC000575568795 387730194 /nfs/dbraw/zinc/73/01/94/387730194.db2.gz OHJZDJBFLTUEIR-QMMMGPOBSA-N 1 0 200.263 0.726 10 0 BCAERO C[C@H]1C(=O)NN[C@]12CC[N@H+](Cc1ccccc1)C2 ZINC000575570194 387736393 /nfs/dbraw/zinc/73/63/93/387736393.db2.gz SHQAHSIJIIODDY-FZMZJTMJSA-N 1 0 245.326 0.902 10 0 BCAERO CC(=O)Nc1cc(N)ccc1N1CC[NH+](C)CC1 ZINC000167129942 387781813 /nfs/dbraw/zinc/78/18/13/387781813.db2.gz ILQZRTKVQMFVAZ-UHFFFAOYSA-N 1 0 248.330 0.979 10 0 BCAERO Nc1ncc(C[N@@H+]2CC[C@@H](CCO)C2)s1 ZINC000163084051 387784583 /nfs/dbraw/zinc/78/45/83/387784583.db2.gz QBMGWIHKVGKLRW-QMMMGPOBSA-N 1 0 227.333 0.930 10 0 BCAERO COC[C@H](C)[NH2+]C[C@@H](O)CN1CCCCC1 ZINC000151344241 387825955 /nfs/dbraw/zinc/82/59/55/387825955.db2.gz AMXHQCXTHYOGTC-NWDGAFQWSA-N 1 0 230.352 0.458 10 0 BCAERO CC[N@@H+]1CCC[C@@H](Nc2nccn(C)c2=O)C1 ZINC000061751316 387845432 /nfs/dbraw/zinc/84/54/32/387845432.db2.gz KSYUMUFSFLKNOU-SNVBAGLBSA-N 1 0 236.319 0.677 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N(C)CC[C@H](C)O ZINC000157700348 387865763 /nfs/dbraw/zinc/86/57/63/387865763.db2.gz KRUJTFCOQKQZKL-IUCAKERBSA-N 1 0 202.298 0.343 10 0 BCAERO OC[C@H]1C[C@@H](O)C[N@@H+]1CCC1CCOCC1 ZINC000432774528 387815126 /nfs/dbraw/zinc/81/51/26/387815126.db2.gz PUMLABPCEBZXJN-VXGBXAGGSA-N 1 0 229.320 0.231 10 0 BCAERO CN1CCO[C@H](CNC(=O)[C@H]2CC=CCC2)C1 ZINC000194636587 387886994 /nfs/dbraw/zinc/88/69/94/387886994.db2.gz ZQWXUXZFAPXJNM-NWDGAFQWSA-N 1 0 238.331 0.790 10 0 BCAERO O=C(CN1CCC(c2cc[nH]n2)CC1)NC1CC1 ZINC000195506881 387919776 /nfs/dbraw/zinc/91/97/76/387919776.db2.gz ZHEQDHHACSSCDJ-UHFFFAOYSA-N 1 0 248.330 0.868 10 0 BCAERO COC[C@H](C)NC(=O)C1([NH3+])CCCCC1 ZINC000019518980 387918745 /nfs/dbraw/zinc/91/87/45/387918745.db2.gz NPMVUBMUQHFIMA-VIFPVBQESA-N 1 0 214.309 0.799 10 0 BCAERO CN1C(=O)C[C@@H](C[NH3+])[C@H]1c1cccnc1 ZINC000238303102 387932916 /nfs/dbraw/zinc/93/29/16/387932916.db2.gz ZEMJKHDUMSCSIO-GXSJLCMTSA-N 1 0 205.261 0.560 10 0 BCAERO COC(=O)C(C)(C)CNC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000237113536 387922571 /nfs/dbraw/zinc/92/25/71/387922571.db2.gz PUCMIZZDZNKUJZ-DTWKUNHWSA-N 1 0 242.319 0.429 10 0 BCAERO CO[C@@H]1C[C@@H](N[C@@H]2CC[NH2+]C2)C12CCC2 ZINC000423167229 387952677 /nfs/dbraw/zinc/95/26/77/387952677.db2.gz DVQSIEIAWHLGKF-GMTAPVOTSA-N 1 0 210.321 0.896 10 0 BCAERO CN(C[C@H]1CCCO1)C(=O)[C@@H]1[NH2+]CC1(C)C ZINC000645870242 387938827 /nfs/dbraw/zinc/93/88/27/387938827.db2.gz IQGGRMLLCDUVFN-ZJUUUORDSA-N 1 0 226.320 0.622 10 0 BCAERO CN(C[C@H]1CCCO1)C(=O)[C@H]1[NH2+]CC1(C)C ZINC000645870239 387938927 /nfs/dbraw/zinc/93/89/27/387938927.db2.gz IQGGRMLLCDUVFN-NXEZZACHSA-N 1 0 226.320 0.622 10 0 BCAERO COC(=O)[C@@H](C)NC(=O)[C@H]1CCC[NH2+][C@@H]1C ZINC000423191380 387976863 /nfs/dbraw/zinc/97/68/63/387976863.db2.gz SRYHUNINLODUJI-HLTSFMKQSA-N 1 0 228.292 0.052 10 0 BCAERO COC[C@H](C)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000245815009 387985929 /nfs/dbraw/zinc/98/59/29/387985929.db2.gz JARJSSJUURPWMY-QWRGUYRKSA-N 1 0 226.320 0.576 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)NC[C@@H](CC)CCO ZINC000087369909 135126449 /nfs/dbraw/zinc/12/64/49/135126449.db2.gz DDEVGDARSFSWHV-VHSXEESVSA-N 1 0 216.325 0.639 10 0 BCAERO CCn1cc(NC(=O)[C@@H]2C[NH2+]C[C@H]2C)cn1 ZINC000082559272 388036773 /nfs/dbraw/zinc/03/67/73/388036773.db2.gz WKTUQLMJGUZQFL-PSASIEDQSA-N 1 0 222.292 0.697 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000082558719 388036970 /nfs/dbraw/zinc/03/69/70/388036970.db2.gz SGHBNOLHNCWVAJ-CHWFTXMASA-N 1 0 226.320 0.478 10 0 BCAERO NC(=O)c1cc(NC[C@@H]([NH3+])C2CC2)ccn1 ZINC000082594010 388037576 /nfs/dbraw/zinc/03/75/76/388037576.db2.gz KYCHMIIQGLCJEL-SECBINFHSA-N 1 0 220.276 0.330 10 0 BCAERO COCC(=O)N1C[C@H]2CCCC[N@@H+]2C[C@H]1C ZINC000083703901 388058816 /nfs/dbraw/zinc/05/88/16/388058816.db2.gz NZLSKZYCNKRPLU-GHMZBOCLSA-N 1 0 226.320 0.718 10 0 BCAERO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1CCOCCO ZINC000084439291 388077839 /nfs/dbraw/zinc/07/78/39/388077839.db2.gz CSGWWTQVGVIEQU-CHWSQXEVSA-N 1 0 242.363 0.554 10 0 BCAERO Cn1c(CN2CC[NH+](C)CC2)nnc1C1CC1 ZINC000195006503 388081343 /nfs/dbraw/zinc/08/13/43/388081343.db2.gz LPRZIZSVLAXDOE-UHFFFAOYSA-N 1 0 235.335 0.440 10 0 BCAERO [NH3+][C@H]1CC[C@H](C(=O)NCCn2ccnc2)C1 ZINC000085012001 388082705 /nfs/dbraw/zinc/08/27/05/388082705.db2.gz ZAQNCFYKYCNTDL-UWVGGRQHSA-N 1 0 222.292 0.127 10 0 BCAERO Cn1ccnc1CNC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000085013079 388082841 /nfs/dbraw/zinc/08/28/41/388082841.db2.gz KLEVYSYAAVYGNF-BDAKNGLRSA-N 1 0 222.292 0.164 10 0 BCAERO CC[C@@H]1CN(C(=O)[C@@H]2CC[C@H]([NH3+])C2)CCO1 ZINC000085010495 388083063 /nfs/dbraw/zinc/08/30/63/388083063.db2.gz IECRTAHULPSFMP-OUAUKWLOSA-N 1 0 226.320 0.751 10 0 BCAERO C[NH2+][C@@H](C)CNS(=O)(=O)CCC1CC1 ZINC000261527926 135152558 /nfs/dbraw/zinc/15/25/58/135152558.db2.gz HYISPRRZFGQIIZ-QMMMGPOBSA-N 1 0 220.338 0.314 10 0 BCAERO C[C@H]1CN(c2nccn3cnnc23)[C@@H](C)C[NH2+]1 ZINC000086471509 388103052 /nfs/dbraw/zinc/10/30/52/388103052.db2.gz LKIQGWIARKDGEC-IUCAKERBSA-N 1 0 232.291 0.311 10 0 BCAERO C[C@@H]1CN(c2nccn3cnnc23)[C@@H](C)C[NH2+]1 ZINC000086471507 388103261 /nfs/dbraw/zinc/10/32/61/388103261.db2.gz LKIQGWIARKDGEC-BDAKNGLRSA-N 1 0 232.291 0.311 10 0 BCAERO COC[C@@H]1CCCN1C(=O)C[C@@H]([NH3+])C(C)C ZINC000646156943 388157990 /nfs/dbraw/zinc/15/79/90/388157990.db2.gz BJWVWUHEGJZVPJ-WDEREUQCSA-N 1 0 228.336 0.997 10 0 BCAERO C[C@H]1[NH2+]CCC[C@@H]1C(=O)N(C)Cc1cnccn1 ZINC000646030567 388129212 /nfs/dbraw/zinc/12/92/12/388129212.db2.gz RQWYTVKJQPIDCY-PWSUYJOCSA-N 1 0 248.330 0.823 10 0 BCAERO COC[C@@H](C)C(=O)NC1CC[NH2+]CC1 ZINC000261527932 135152998 /nfs/dbraw/zinc/15/29/98/135152998.db2.gz DKVMHWOVKMAURP-MRVPVSSYSA-N 1 0 200.282 0.137 10 0 BCAERO C[NH2+][C@@H](C)CNC(=O)CSC(F)(F)F ZINC000261527900 135153153 /nfs/dbraw/zinc/15/31/53/135153153.db2.gz CLLAAAVQWMVHCV-YFKPBYRVSA-N 1 0 230.255 0.964 10 0 BCAERO CN(C)C(=O)CC[NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000085635374 256528387 /nfs/dbraw/zinc/52/83/87/256528387.db2.gz WUYLZPQTVWPBJE-DLOVCJGASA-N 1 0 240.347 0.868 10 0 BCAERO CCO[C@@H](C)C(=O)NC[C@H]1CC[NH2+]C1 ZINC000261528704 135154099 /nfs/dbraw/zinc/15/40/99/135154099.db2.gz UEMTVZWDQQUWCM-IUCAKERBSA-N 1 0 200.282 0.137 10 0 BCAERO C[NH2+][C@@H](C)CNC(=O)C1CCSCC1 ZINC000261528670 135154181 /nfs/dbraw/zinc/15/41/81/135154181.db2.gz SIFOCWKKFUCWNL-QMMMGPOBSA-N 1 0 216.350 0.854 10 0 BCAERO O=C(C1CCOCC1)N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000085282642 256567630 /nfs/dbraw/zinc/56/76/30/256567630.db2.gz QULHUZGLZMOJDI-GHMZBOCLSA-N 1 0 224.304 0.091 10 0 BCAERO CC1(C)C[NH2+][C@@H]1C(=O)N[C@@H]1CCC[C@@H](O)C1 ZINC000646417281 388353838 /nfs/dbraw/zinc/35/38/38/388353838.db2.gz CFANKXUMWXIHNU-OPRDCNLKSA-N 1 0 226.320 0.404 10 0 BCAERO [NH3+][C@H]1CC[C@@H]1C1CCS(=O)(=O)CC1 ZINC000575518537 388354819 /nfs/dbraw/zinc/35/48/19/388354819.db2.gz YSCYTTKZCYVXKR-BDAKNGLRSA-N 1 0 203.307 0.549 10 0 BCAERO C[C@@H]1C[C@H]([NH2+][C@@H]2CCNC2=O)CS1 ZINC000575524411 388359007 /nfs/dbraw/zinc/35/90/07/388359007.db2.gz JLQJQEXQVSOSAH-GJMOJQLCSA-N 1 0 200.307 0.359 10 0 BCAERO CO[C@H](C)CCC(=O)N1C[C@H]([NH3+])[C@@H](C)C1 ZINC000234771017 388359962 /nfs/dbraw/zinc/35/99/62/388359962.db2.gz REHPSWLRMMQSLN-AEJSXWLSSA-N 1 0 214.309 0.607 10 0 BCAERO Nc1cccc(OCCN2CC[NH2+]CC2)c1 ZINC000058006658 388371878 /nfs/dbraw/zinc/37/18/78/388371878.db2.gz NPKOWNQZMORZFY-UHFFFAOYSA-N 1 0 221.304 0.553 10 0 BCAERO COC[C@H]([NH3+])C(=O)Nc1ccc(C)nc1 ZINC000164811354 388384170 /nfs/dbraw/zinc/38/41/70/388384170.db2.gz QXOJPWLXBHICHU-VIFPVBQESA-N 1 0 209.249 0.302 10 0 BCAERO CCO[C@@H](C)C(=O)N1CCC[C@H]1C[NH3+] ZINC000237024179 388388837 /nfs/dbraw/zinc/38/88/37/388388837.db2.gz CYEOEENQVCQVBS-IUCAKERBSA-N 1 0 200.282 0.361 10 0 BCAERO O=C([C@@H]1CC[NH2+]C1)N(CC(F)F)C1CC1 ZINC000237772478 388397796 /nfs/dbraw/zinc/39/77/96/388397796.db2.gz RKASDWDBEUXPMP-SSDOTTSWSA-N 1 0 218.247 0.852 10 0 BCAERO C[C@H](CO)S[C@@H]1C[NH2+]CC[C@]1(C)O ZINC000300867894 388459411 /nfs/dbraw/zinc/45/94/11/388459411.db2.gz KEBKJPSKQHCHII-HLTSFMKQSA-N 1 0 205.323 0.213 10 0 BCAERO C[NH2+][C@@H](C)CNS(=O)(=O)CCC1CCC1 ZINC000261537439 135173764 /nfs/dbraw/zinc/17/37/64/135173764.db2.gz VOOSQHXQTVWFMJ-VIFPVBQESA-N 1 0 234.365 0.704 10 0 BCAERO Cc1nccc(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)n1 ZINC000195334994 388467735 /nfs/dbraw/zinc/46/77/35/388467735.db2.gz MJDDANUWYASUNB-NSHDSACASA-N 1 0 246.314 0.705 10 0 BCAERO CCN1CCO[C@H](C[NH2+][C@@H]2CCOC2(C)C)C1 ZINC000328374075 388413584 /nfs/dbraw/zinc/41/35/84/388413584.db2.gz JSMZNDKFMGKRBR-VXGBXAGGSA-N 1 0 242.363 0.864 10 0 BCAERO C[C@]1(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)CCC[NH2+]1 ZINC000079517447 388538081 /nfs/dbraw/zinc/53/80/81/388538081.db2.gz PSIFQVKECNDDPM-DGCLKSJQSA-N 1 0 237.347 0.435 10 0 BCAERO C[NH2+]CC(=O)N[C@@H]1[C@@H](C)[C@@H](OC)C1(C)C ZINC000261552417 135191425 /nfs/dbraw/zinc/19/14/25/135191425.db2.gz RKAYNLNGMGPENA-SZEHBUNVSA-N 1 0 214.309 0.382 10 0 BCAERO COC[C@@]1(C(=O)NCc2cccnc2)CCC[NH2+]1 ZINC000649275597 388492184 /nfs/dbraw/zinc/49/21/84/388492184.db2.gz REJBQXLUIZCNSJ-CYBMUJFWSA-N 1 0 249.314 0.466 10 0 BCAERO COC[C@@H](C)[NH2+][C@H](C)C(=O)NCC(C)C ZINC000034937686 388492828 /nfs/dbraw/zinc/49/28/28/388492828.db2.gz RGWYWRCXLJRZBP-NXEZZACHSA-N 1 0 216.325 0.772 10 0 BCAERO CO[C@@H]1C[C@H](CO)[N@H+](CC2CCOCC2)C1 ZINC000343955852 388503581 /nfs/dbraw/zinc/50/35/81/388503581.db2.gz NZDBDHFOPXPKRL-VXGBXAGGSA-N 1 0 229.320 0.495 10 0 BCAERO CCSCC[N@@H+]1C[C@H](OC)C[C@H]1CO ZINC000344151891 388506029 /nfs/dbraw/zinc/50/60/29/388506029.db2.gz VQQUIKNORBGYCP-VHSXEESVSA-N 1 0 219.350 0.821 10 0 BCAERO CO[C@@H]1C[C@@H](CO)N(CC[NH+]2CCCCC2)C1 ZINC000344693568 388508826 /nfs/dbraw/zinc/50/88/26/388508826.db2.gz ALOBFTOGSFCVJA-QWHCGFSZSA-N 1 0 242.363 0.554 10 0 BCAERO CO[C@H]1C[C@@H](CO)N(CC[NH+]2CCCCC2)C1 ZINC000344693570 388509110 /nfs/dbraw/zinc/50/91/10/388509110.db2.gz ALOBFTOGSFCVJA-STQMWFEESA-N 1 0 242.363 0.554 10 0 BCAERO CO[C@@H]1C[C@H](CO)[N@H+](C[C@@H]2CCCCO2)C1 ZINC000344741247 388509382 /nfs/dbraw/zinc/50/93/82/388509382.db2.gz RBVUJXRGNOPTBC-GRYCIOLGSA-N 1 0 229.320 0.637 10 0 BCAERO CCN1CC[C@@H]([NH2+]C[C@@H](C)S(C)(=O)=O)C1 ZINC000516761814 388516235 /nfs/dbraw/zinc/51/62/35/388516235.db2.gz OMQMFZDIVRPVNT-NXEZZACHSA-N 1 0 234.365 0.103 10 0 BCAERO CC[C@H](CCO)CNC(=O)[C@@H](C)[NH2+]C ZINC000087369823 388518915 /nfs/dbraw/zinc/51/89/15/388518915.db2.gz ZNGBUFDTGKRKMB-RKDXNWHRSA-N 1 0 202.298 0.119 10 0 BCAERO COC[C@H](C)[NH2+][C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000348154261 388525406 /nfs/dbraw/zinc/52/54/06/388525406.db2.gz ADXJIFDFDKEXDT-HBNTYKKESA-N 1 0 249.376 0.967 10 0 BCAERO CCN(C)C(=O)CC[NH2+][C@@H]1CCO[C@@H]1C ZINC000348184531 388527099 /nfs/dbraw/zinc/52/70/99/388527099.db2.gz OKEBELAUKSJEPV-NXEZZACHSA-N 1 0 214.309 0.622 10 0 BCAERO C[NH2+][C@@H]1CCN(Cc2nnnn2C(C)C)C1 ZINC000516182642 256766869 /nfs/dbraw/zinc/76/68/69/256766869.db2.gz FCHXMECWFBLCQR-SECBINFHSA-N 1 0 224.312 0.048 10 0 BCAERO O=C(Nc1ccc(F)cn1)[C@H]1C[NH2+]CCOC1 ZINC000649283961 388531675 /nfs/dbraw/zinc/53/16/75/388531675.db2.gz YUAXXBRDERFNHU-QMMMGPOBSA-N 1 0 239.250 0.395 10 0 BCAERO COC[C@H](C)N(C)C(=O)C[C@H]1CC[NH2+]C1 ZINC000084382369 135216286 /nfs/dbraw/zinc/21/62/86/135216286.db2.gz QUUNXSZMEIKFSK-VHSXEESVSA-N 1 0 214.309 0.479 10 0 BCAERO C[C@H]([NH2+]C[C@@H]1CN(C)CCO1)[C@@H]1CCCCO1 ZINC000379163936 388592480 /nfs/dbraw/zinc/59/24/80/388592480.db2.gz ICSCPEQOCRAGFY-XQQFMLRXSA-N 1 0 242.363 0.864 10 0 BCAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1nncn1C ZINC000245615465 388593363 /nfs/dbraw/zinc/59/33/63/388593363.db2.gz MLEHTSREFRHFHO-NEPJUHHUSA-N 1 0 249.362 0.874 10 0 BCAERO CN(Cc1cnccn1)C(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000649311496 388597332 /nfs/dbraw/zinc/59/73/32/388597332.db2.gz UMLGQAOGSWRQCP-JQWIXIFHSA-N 1 0 248.330 0.810 10 0 BCAERO CC[N@@H+]1CCC[C@H]1CN(C)[C@H]1CCNC1=O ZINC000245681561 388597342 /nfs/dbraw/zinc/59/73/42/388597342.db2.gz KVRZGYDMFMJWRO-QWRGUYRKSA-N 1 0 225.336 0.291 10 0 BCAERO CCOC(=O)[C@H](C)N1CC[C@@H]([NH+](C)C)C1 ZINC000220125322 388601282 /nfs/dbraw/zinc/60/12/82/388601282.db2.gz XNRZVGCWXTUVJV-VHSXEESVSA-N 1 0 214.309 0.574 10 0 BCAERO OCc1ccc(C[NH2+][C@H]2CCOC[C@@H]2O)cc1 ZINC000630073294 388615429 /nfs/dbraw/zinc/61/54/29/388615429.db2.gz CPTQNCOPHBJGGY-STQMWFEESA-N 1 0 237.299 0.418 10 0 BCAERO CCOC[C@H]1C[N@H+](CC(C)(C)O)CCO1 ZINC000528724886 388562096 /nfs/dbraw/zinc/56/20/96/388562096.db2.gz ZALDNKOAAVFEFT-SNVBAGLBSA-N 1 0 217.309 0.495 10 0 BCAERO CCOC[C@@H]1C[N@@H+]([C@@H]2CCC[C@H]2O)CCO1 ZINC000528733811 388563169 /nfs/dbraw/zinc/56/31/69/388563169.db2.gz WZMTZLZRTNLBCX-QJPTWQEYSA-N 1 0 229.320 0.637 10 0 BCAERO CO[C@H](CNC(=O)[C@@H]1C[NH2+]C[C@@H]1C)C(C)C ZINC000362978104 388563348 /nfs/dbraw/zinc/56/33/48/388563348.db2.gz XLFKAUCRDRRMCT-HBNTYKKESA-N 1 0 228.336 0.629 10 0 BCAERO C[C@]1(CO)C[N@@H+](CC2(O)CCC2)C[C@@]1(C)CO ZINC000528754357 388566319 /nfs/dbraw/zinc/56/63/19/388566319.db2.gz ZALPIEWZEGWWRL-TXEJJXNPSA-N 1 0 243.347 0.214 10 0 BCAERO CCC[C@@H](C(=O)NCCn1cccn1)[NH+](C)C ZINC000137789178 388568148 /nfs/dbraw/zinc/56/81/48/388568148.db2.gz RJQJNGNSNLJOIM-NSHDSACASA-N 1 0 238.335 0.730 10 0 BCAERO Cn1nc(C(F)(F)F)cc1C(=[NH2+])NO ZINC000075848333 388575612 /nfs/dbraw/zinc/57/56/12/388575612.db2.gz KSTNSOBENWAKBM-UHFFFAOYSA-N 1 0 208.143 0.743 10 0 BCAERO Cc1ccc(CNC(=O)[C@@H]2C[NH2+]CCOC2)cn1 ZINC000649296455 388575923 /nfs/dbraw/zinc/57/59/23/388575923.db2.gz HAMOLPZJITYHRW-GFCCVEGCSA-N 1 0 249.314 0.242 10 0 BCAERO CC[C@H]([NH3+])C(=O)N1CCC([C@@H](C)O)CC1 ZINC000225415845 388678309 /nfs/dbraw/zinc/67/83/09/388678309.db2.gz PPJXOJHDBRITNW-SCZZXKLOSA-N 1 0 214.309 0.343 10 0 BCAERO CCOc1nccnc1N1CCO[C@@H](C[NH3+])C1 ZINC000521845410 388634766 /nfs/dbraw/zinc/63/47/66/388634766.db2.gz NGLISKJKVJKJKS-VIFPVBQESA-N 1 0 238.291 0.039 10 0 BCAERO [NH3+][C@@H]1CC[C@H]2CN(CC(=O)NCC3CC3)C[C@H]12 ZINC000261551854 388643076 /nfs/dbraw/zinc/64/30/76/388643076.db2.gz MKVINDAILPDHFN-SDDRHHMPSA-N 1 0 237.347 0.182 10 0 BCAERO CC(C)CC(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000246883657 388653470 /nfs/dbraw/zinc/65/34/70/388653470.db2.gz WQMVNPSUGSXECR-RYUDHWBXSA-N 1 0 242.363 0.946 10 0 BCAERO CC[C@](C)(O)C[N@@H+]1CCN(CCOC)[C@H](C)C1 ZINC000123540902 388654567 /nfs/dbraw/zinc/65/45/67/388654567.db2.gz FFPPNURBMBXTPM-OLZOCXBDSA-N 1 0 244.379 0.800 10 0 BCAERO COC[C@H](C)C[N@@H+]1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000249978276 388735742 /nfs/dbraw/zinc/73/57/42/388735742.db2.gz YKPLSQDLZPNVMC-AGIUHOORSA-N 1 0 244.379 0.656 10 0 BCAERO [NH3+][C@@H]1COC[C@@H]1[C@@H](O)c1cncs1 ZINC000575452062 388746465 /nfs/dbraw/zinc/74/64/65/388746465.db2.gz BKCHHGFVCSWEOH-SHYZEUOFSA-N 1 0 200.263 0.150 10 0 BCAERO O=C(N[C@@H]1c2ccccc2C[C@@H]1O)[C@@H]1CC[NH2+]C1 ZINC000227329707 388747955 /nfs/dbraw/zinc/74/79/55/388747955.db2.gz DDNDZBQSJVTGKO-KGYLQXTDSA-N 1 0 246.310 0.370 10 0 BCAERO CC[C@@H]1C[N@H+](C[C@H](C)O)CCN1CCOC ZINC000248643659 388688840 /nfs/dbraw/zinc/68/88/40/388688840.db2.gz DUMOOPOHGTUEQU-NWDGAFQWSA-N 1 0 230.352 0.410 10 0 BCAERO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C[C@H]3CCCO3)C[C@@H]12 ZINC000248699159 388689496 /nfs/dbraw/zinc/68/94/96/388689496.db2.gz ZHUFQEMDPKSTJI-DDHJBXDOSA-N 1 0 238.331 0.751 10 0 BCAERO C[NH2+][C@H](C)C(=O)NCCCn1nc(C)cc1C ZINC000126500154 388696524 /nfs/dbraw/zinc/69/65/24/388696524.db2.gz XRTZOLLWGYDGTO-LLVKDONJSA-N 1 0 238.335 0.614 10 0 BCAERO CCn1cc([C@H]2NC(=O)CC[C@@H]2[NH3+])cn1 ZINC000234257476 388700451 /nfs/dbraw/zinc/70/04/51/388700451.db2.gz SIAGUQYTBGASAB-WCBMZHEXSA-N 1 0 208.265 0.181 10 0 BCAERO Cc1oncc1CN1C[C@H](F)C[C@@H]1C[NH3+] ZINC000396423648 388701106 /nfs/dbraw/zinc/70/11/06/388701106.db2.gz KHZJHHNOADECNC-NXEZZACHSA-N 1 0 213.256 0.854 10 0 BCAERO C[NH2+]C[C@@H]1C[C@@H](F)CN1c1nnc(C)o1 ZINC000396472089 388702034 /nfs/dbraw/zinc/70/20/34/388702034.db2.gz PYPUGRMLELSGDF-SFYZADRCSA-N 1 0 214.244 0.514 10 0 BCAERO Cc1nc(CN2C[C@H](F)C[C@H]2C[NH3+])no1 ZINC000396421569 388702517 /nfs/dbraw/zinc/70/25/17/388702517.db2.gz HNEACYOWCCVBOW-SFYZADRCSA-N 1 0 214.244 0.249 10 0 BCAERO [NH3+]C[C@]1(CO)COCCN1Cc1ccccc1 ZINC000521399060 388704483 /nfs/dbraw/zinc/70/44/83/388704483.db2.gz PQUJOONPSXZWHO-ZDUSSCGKSA-N 1 0 236.315 0.209 10 0 BCAERO C[C@H]([NH3+])[C@H](C)C(=O)N1[C@H](C)COC[C@@H]1C ZINC000249111635 388709893 /nfs/dbraw/zinc/70/98/93/388709893.db2.gz VXVVLXHDQRIBAA-JXUBOQSCSA-N 1 0 214.309 0.606 10 0 BCAERO CC[C@](C)(O)C[N@@H+]1CCC[C@@H](CC(N)=O)C1 ZINC000249374140 388718219 /nfs/dbraw/zinc/71/82/19/388718219.db2.gz NTQRDELDASHLSI-JQWIXIFHSA-N 1 0 228.336 0.735 10 0 BCAERO Cc1cc(=O)c(C(=O)N[C@@H]2CCC[C@@H]2C[NH3+])c[nH]1 ZINC000226270121 177714400 /nfs/dbraw/zinc/71/44/00/177714400.db2.gz KMYCVGRAGJWRAX-MWLCHTKSSA-N 1 0 249.314 0.541 10 0 BCAERO O[C@H](c1cncs1)[C@@H]1C[NH2+]CCS1 ZINC000575449282 388731933 /nfs/dbraw/zinc/73/19/33/388731933.db2.gz DMLRCUHZICYVOB-XPUUQOCRSA-N 1 0 216.331 0.882 10 0 BCAERO COCCN1CC[N@H+](C[C@H](C)COC)C[C@H]1C ZINC000249771285 388733198 /nfs/dbraw/zinc/73/31/98/388733198.db2.gz JLJLQGBEALWCQN-QWHCGFSZSA-N 1 0 244.379 0.921 10 0 BCAERO C[C@@H](O)C1CC[NH+](C[C@H]2CNC(=O)O2)CC1 ZINC000229644419 388797987 /nfs/dbraw/zinc/79/79/87/388797987.db2.gz SGKMKMQCEYJZQH-PSASIEDQSA-N 1 0 228.292 0.188 10 0 BCAERO Cc1c[nH+]ccc1NC[C@@H]1C[NH2+]CCO1 ZINC000227786670 388758482 /nfs/dbraw/zinc/75/84/82/388758482.db2.gz CCYDFJJICXRTOC-JTQLQIEISA-N 1 0 207.277 0.790 10 0 BCAERO [NH3+][C@@H]1CCO[C@H]1[C@@H](O)c1cscn1 ZINC000575454373 388760871 /nfs/dbraw/zinc/76/08/71/388760871.db2.gz PUOSJKWBOZTMAV-MHSYXAOVSA-N 1 0 200.263 0.293 10 0 BCAERO CCCCOC[C@@H](O)C[NH2+]CC1(C)COC1 ZINC000227894361 388761061 /nfs/dbraw/zinc/76/10/61/388761061.db2.gz RNYMSRQYMYLSNX-NSHDSACASA-N 1 0 231.336 0.790 10 0 BCAERO C[C@H](O)C[C@H]1CCC[N@@H+]1C[C@H]1CNC(=O)O1 ZINC000252703322 388772468 /nfs/dbraw/zinc/77/24/68/388772468.db2.gz UYQUGRVVHAINMM-IVZWLZJFSA-N 1 0 228.292 0.330 10 0 BCAERO [NH3+]CC1(N2CCCSCC2)COC1 ZINC000575455699 388784273 /nfs/dbraw/zinc/78/42/73/388784273.db2.gz XWBIJOPDMLEGKL-UHFFFAOYSA-N 1 0 202.323 0.153 10 0 BCAERO CC[C@@](C)(O)C[N@@H+]1CCC[C@@H](CO)C1 ZINC000229384114 388787232 /nfs/dbraw/zinc/78/72/32/388787232.db2.gz YSOCQNDTKRSXBD-GHMZBOCLSA-N 1 0 201.310 0.852 10 0 BCAERO O[C@@H](c1cncs1)[C@@H]1CSCC[NH2+]1 ZINC000575456917 388789916 /nfs/dbraw/zinc/78/99/16/388789916.db2.gz BWJIFXKFPJKYPQ-POYBYMJQSA-N 1 0 216.331 0.882 10 0 BCAERO NC(=S)C[N@@H+]1CCC[C@H]2COC[C@H]21 ZINC000575464289 388831545 /nfs/dbraw/zinc/83/15/45/388831545.db2.gz JPQCQWKXWGWMRA-JGVFFNPUSA-N 1 0 200.307 0.383 10 0 BCAERO COCCOCC[N@@H+]1CC[C@@H](CCO)C1 ZINC000079463942 135396703 /nfs/dbraw/zinc/39/67/03/135396703.db2.gz FDPIQRCPTFPVPL-NSHDSACASA-N 1 0 217.309 0.354 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)NCC2=CC[NH2+]CC2)O1 ZINC000129393962 388837877 /nfs/dbraw/zinc/83/78/77/388837877.db2.gz OOLDLCKFDFOEKL-MWLCHTKSSA-N 1 0 224.304 0.590 10 0 BCAERO [NH3+][C@@H]1CCC2(C[C@H]1n1ccnn1)OCCO2 ZINC000575468438 388840467 /nfs/dbraw/zinc/84/04/67/388840467.db2.gz CNEFCOCGSVNDNA-RKDXNWHRSA-N 1 0 224.264 0.074 10 0 BCAERO CC1CC(C(=O)NC[C@@]2(O)CC[N@H+](C)C2)C1 ZINC000564582335 388880495 /nfs/dbraw/zinc/88/04/95/388880495.db2.gz MHZYSFUVOPGUPB-CBINBANVSA-N 1 0 226.320 0.215 10 0 BCAERO OC[C@H](CC(F)F)[NH2+][C@@H]1CCCC[C@H]1O ZINC000565239547 388930925 /nfs/dbraw/zinc/93/09/25/388930925.db2.gz ZRFGNYNCHGEBDC-DJLDLDEBSA-N 1 0 223.263 0.896 10 0 BCAERO CC[C@@](C)([NH3+])C(=O)Nc1csnn1 ZINC000575493078 388944155 /nfs/dbraw/zinc/94/41/55/388944155.db2.gz OHRDGTXSPQSFCQ-SSDOTTSWSA-N 1 0 200.267 0.604 10 0 BCAERO CC(C)[NH+]1CCN(c2ncc(N)cn2)CC1 ZINC000040455787 132347884 /nfs/dbraw/zinc/34/78/84/132347884.db2.gz ALHLOWANWZRJOE-UHFFFAOYSA-N 1 0 221.308 0.589 10 0 BCAERO [NH3+]Cc1cccnc1N1CCCC[C@H]1CO ZINC000042432058 132351852 /nfs/dbraw/zinc/35/18/52/132351852.db2.gz DKMHCOHGZXSZEQ-NSHDSACASA-N 1 0 221.304 0.892 10 0 BCAERO C[C@@H]1CN(c2ccc(C[NH3+])nn2)CCO1 ZINC000051396237 132360041 /nfs/dbraw/zinc/36/00/41/132360041.db2.gz IVXDYDQPCCLMRW-MRVPVSSYSA-N 1 0 208.265 0.160 10 0 BCAERO C[C@@H](C(=O)NC(C)(C)C)[N@@H+]1C[C@H](C)C[C@H](O)C1 ZINC000401646366 533234859 /nfs/dbraw/zinc/23/48/59/533234859.db2.gz HZXXFVDBRDVREM-VWYCJHECSA-N 1 0 242.363 0.992 10 0 BCAERO CCN(CC(=O)NC)C(=O)[C@H]1CCCC[C@H]1[NH3+] ZINC000055087599 169722027 /nfs/dbraw/zinc/72/20/27/169722027.db2.gz BTMNBXLGUJCQHF-VHSXEESVSA-N 1 0 241.335 0.098 10 0 BCAERO COC(=O)CC[N@@H+]1C[C@@H](C)C[C@H](O)C1 ZINC000401897817 533429163 /nfs/dbraw/zinc/42/91/63/533429163.db2.gz LKXSITQVXRCDIZ-IUCAKERBSA-N 1 0 201.266 0.252 10 0 BCAERO [NH3+]C[C@H]1CN(c2ncccc2Cl)CCO1 ZINC000041059073 132223836 /nfs/dbraw/zinc/22/38/36/132223836.db2.gz UJOUNIQLUCDKHJ-QMMMGPOBSA-N 1 0 227.695 0.899 10 0 BCAERO [NH3+]C[C@@H]1CN(c2ncccc2Cl)CCO1 ZINC000041059072 132223888 /nfs/dbraw/zinc/22/38/88/132223888.db2.gz UJOUNIQLUCDKHJ-MRVPVSSYSA-N 1 0 227.695 0.899 10 0 BCAERO C[S@@](=O)c1ccc(N2CC[NH2+]CC2)cc1 ZINC000165122195 132228223 /nfs/dbraw/zinc/22/82/23/132228223.db2.gz BJAXWGSHKDWPMQ-HNNXBMFYSA-N 1 0 224.329 0.834 10 0 BCAERO [NH3+]C[C@@H]1CN(c2cnc3ccccc3n2)CCO1 ZINC000052017345 132229076 /nfs/dbraw/zinc/22/90/76/132229076.db2.gz SECYMIHGGBPFCE-SNVBAGLBSA-N 1 0 244.298 0.794 10 0 BCAERO Cc1cc2c(N3CC[NH2+]C[C@@H]3C)nccn2n1 ZINC000130204463 132234530 /nfs/dbraw/zinc/23/45/30/132234530.db2.gz YFRKDVUNXGNZIF-JTQLQIEISA-N 1 0 231.303 0.836 10 0 BCAERO C[C@@H]1CN(c2ncnc3nc[nH]c32)[C@H](C)C[NH2+]1 ZINC000006187607 132244791 /nfs/dbraw/zinc/24/47/91/132244791.db2.gz VMWCESZLNHVQLZ-HTQZYQBOSA-N 1 0 232.291 0.540 10 0 BCAERO Cc1cccc2c1N1CC[NH2+]C[C@@H]1NC2=O ZINC000045338205 132298599 /nfs/dbraw/zinc/29/85/99/132298599.db2.gz RDKUQQKQJMPPCX-SNVBAGLBSA-N 1 0 217.272 0.474 10 0 BCAERO Cc1cc(=O)[nH]c(N2CCC(C[NH3+])CC2)n1 ZINC000045946850 132298831 /nfs/dbraw/zinc/29/88/31/132298831.db2.gz VCIMUQNFQJXBBD-UHFFFAOYSA-N 1 0 222.292 0.253 10 0 BCAERO NNc1[nH+]c(N2CCOCC2)nc2c1CCC2 ZINC000051152145 132300533 /nfs/dbraw/zinc/30/05/33/132300533.db2.gz BWMNFWFGVRUNAK-UHFFFAOYSA-N 1 0 235.291 0.088 10 0 BCAERO Cc1nccc(N2C[C@@H](C)[NH2+]C[C@H]2C)n1 ZINC000250836664 132303270 /nfs/dbraw/zinc/30/32/70/132303270.db2.gz MVTRCBQXQPDSMT-RKDXNWHRSA-N 1 0 206.293 0.972 10 0 BCAERO c1cn2ccnc(N3CC[NH2+]CC3)c2n1 ZINC000005117657 132308833 /nfs/dbraw/zinc/30/88/33/132308833.db2.gz NSHLOJVJEGEMSF-UHFFFAOYSA-N 1 0 203.249 0.139 10 0 in-vivo BCAERO c1cc(N2CCOCC2)c2c(n1)CC[NH2+]C2 ZINC000116481347 132312532 /nfs/dbraw/zinc/31/25/32/132312532.db2.gz IFYOYXLLZUOBLA-UHFFFAOYSA-N 1 0 219.288 0.564 10 0 BCAERO CN(C)C(=O)c1cccc(N2CC[NH2+]CC2)c1 ZINC000020221374 132330420 /nfs/dbraw/zinc/33/04/20/132330420.db2.gz WXWLYCHCSAIUOF-UHFFFAOYSA-N 1 0 233.315 0.798 10 0 BCAERO [NH3+][C@H]1CCc2nc(N3CCOCC3)ncc2C1 ZINC000020286102 132331093 /nfs/dbraw/zinc/33/10/93/132331093.db2.gz IOLVDEHYEZMUIO-JTQLQIEISA-N 1 0 234.303 0.129 10 0 BCAERO CC[NH+]1CCN(c2ncncc2CO)CC1 ZINC000020384664 132331414 /nfs/dbraw/zinc/33/14/14/132331414.db2.gz WXPKICOQFUZFPU-UHFFFAOYSA-N 1 0 222.292 0.111 10 0 BCAERO C[C@H]1CN(c2cc(C(N)=[NH2+])ccn2)C[C@H](C)O1 ZINC000034754792 132336709 /nfs/dbraw/zinc/33/67/09/132336709.db2.gz CAOPDAALQDAPKW-IUCAKERBSA-N 1 0 234.303 0.979 10 0 BCAERO C[NH2+]CC(=O)Nc1ccccc1N1CCOCC1 ZINC000034979631 132337251 /nfs/dbraw/zinc/33/72/51/132337251.db2.gz DLAULXJJEGMADM-UHFFFAOYSA-N 1 0 249.314 0.681 10 0 BCAERO [NH3+]C[C@H](O)CN1C(=O)CCc2cc(F)ccc21 ZINC000035355609 132338087 /nfs/dbraw/zinc/33/80/87/132338087.db2.gz MAHSGHGAVSNWNG-JTQLQIEISA-N 1 0 238.262 0.425 10 0 BCAERO CC(=O)N1CCN(c2[nH+]ccc(C)c2N)CC1 ZINC000036250499 132341322 /nfs/dbraw/zinc/34/13/22/132341322.db2.gz KZZMRSJNWLQKKH-UHFFFAOYSA-N 1 0 234.303 0.641 10 0 BCAERO NC(=[NH2+])c1ccnc(N2CCC(CO)CC2)c1 ZINC000036720974 132342548 /nfs/dbraw/zinc/34/25/48/132342548.db2.gz KFEMPXMJHQIXEQ-UHFFFAOYSA-N 1 0 234.303 0.574 10 0 BCAERO CNC(=O)C1CCN(c2ccc(C[NH3+])cn2)CC1 ZINC000036797039 132342737 /nfs/dbraw/zinc/34/27/37/132342737.db2.gz MJHFCKDEVYVDAY-UHFFFAOYSA-N 1 0 248.330 0.503 10 0 BCAERO COc1nc(N2CC[NH+](C)CC2)ccc1N ZINC000037066292 132343394 /nfs/dbraw/zinc/34/33/94/132343394.db2.gz IGUNSAHYJORXAA-UHFFFAOYSA-N 1 0 222.292 0.424 10 0 BCAERO C[C@H]([NH3+])CC(=O)N1CC(=O)Nc2ccccc21 ZINC000037607351 132344682 /nfs/dbraw/zinc/34/46/82/132344682.db2.gz FKYZDOKVANSMNR-QMMMGPOBSA-N 1 0 233.271 0.709 10 0 BCAERO [NH3+][C@H]1CCC[C@@H]1N1CCN(c2ncccn2)CC1 ZINC000040431831 132347704 /nfs/dbraw/zinc/34/77/04/132347704.db2.gz JDMISEUKCDSOJZ-RYUDHWBXSA-N 1 0 247.346 0.478 10 0 BCAERO Cc1cc2ncnn2c(N2CCC[C@@H]([NH3+])C2)c1 ZINC000041030310 132349307 /nfs/dbraw/zinc/34/93/07/132349307.db2.gz OLZRRYRDVLMKKY-SNVBAGLBSA-N 1 0 231.303 0.965 10 0 BCAERO CNC(=O)[C@@H]1CCCCN1c1ccc(C[NH3+])cn1 ZINC000042408003 132351389 /nfs/dbraw/zinc/35/13/89/132351389.db2.gz PHWXLJMWEOIOHM-NSHDSACASA-N 1 0 248.330 0.645 10 0 BCAERO C[C@H]1CC[C@H](C(N)=O)CN1c1ncccc1C[NH3+] ZINC000042427011 132352031 /nfs/dbraw/zinc/35/20/31/132352031.db2.gz ZJONQRHINYESPI-ONGXEEELSA-N 1 0 248.330 0.631 10 0 BCAERO CC(=O)N1CCN(c2cc(N)cc[nH+]2)CC1 ZINC000043567906 132353446 /nfs/dbraw/zinc/35/34/46/132353446.db2.gz YPGWFQFCZGYXEA-UHFFFAOYSA-N 1 0 220.276 0.332 10 0 BCAERO Nc1cc[nH+]c(N2CCS(=O)CC2)c1 ZINC000043569233 132353752 /nfs/dbraw/zinc/35/37/52/132353752.db2.gz QCIMFAVKFINALT-UHFFFAOYSA-N 1 0 211.290 0.233 10 0 BCAERO [NH3+]Cc1ccc(N2CCS(=O)CC2)nc1 ZINC000049691183 132356324 /nfs/dbraw/zinc/35/63/24/132356324.db2.gz RRGMTYYFIAFOIJ-UHFFFAOYSA-N 1 0 225.317 0.109 10 0 BCAERO CCc1cc(NC)nc(N2CCOCC2)[nH+]1 ZINC000050851009 132359536 /nfs/dbraw/zinc/35/95/36/132359536.db2.gz IDNXBGNORVIASW-UHFFFAOYSA-N 1 0 222.292 0.917 10 0 BCAERO C[C@H]1CN(c2ccc(C[NH3+])nn2)C[C@H](C)O1 ZINC000051396191 132360129 /nfs/dbraw/zinc/36/01/29/132360129.db2.gz BPYSGKGSRRBZLJ-IUCAKERBSA-N 1 0 222.292 0.549 10 0 BCAERO C[C@@H]1COCCN1c1cccc(C[NH3+])n1 ZINC000051396845 132360444 /nfs/dbraw/zinc/36/04/44/132360444.db2.gz ARRFXHMMMJPRGL-SECBINFHSA-N 1 0 207.277 0.765 10 0 BCAERO [NH3+]Cc1ccc(N2C(=O)CCCC2=O)nc1 ZINC000051953225 132361918 /nfs/dbraw/zinc/36/19/18/132361918.db2.gz MVLAKKOKKQWNQO-UHFFFAOYSA-N 1 0 219.244 0.584 10 0 BCAERO C[C@H]1CC[C@H](C[NH3+])CN1c1ncnc2nc[nH]c21 ZINC000053704084 132363215 /nfs/dbraw/zinc/36/32/15/132363215.db2.gz UHNJTNYGDJOFSJ-DTWKUNHWSA-N 1 0 246.318 0.917 10 0 BCAERO [NH3+]Cc1nccnc1N1CCCC[C@@H]1CO ZINC000054377503 132364546 /nfs/dbraw/zinc/36/45/46/132364546.db2.gz QUNRJUJBJUMOMW-SECBINFHSA-N 1 0 222.292 0.287 10 0 BCAERO C[C@@H]([NH3+])Cc1ccnc(N2CCOCC2)n1 ZINC000054834043 132365005 /nfs/dbraw/zinc/36/50/05/132365005.db2.gz SMQPSQKNMQGOHR-SECBINFHSA-N 1 0 222.292 0.203 10 0 BCAERO Cc1cc(OC(C)C)nc(N2CC[NH2+]CC2)n1 ZINC000058825890 132368653 /nfs/dbraw/zinc/36/86/53/132368653.db2.gz YOTVTGGVLHYPGQ-UHFFFAOYSA-N 1 0 236.319 0.982 10 0 BCAERO [NH3+]Cc1cc(N2CCCC[C@@H]2CO)ccn1 ZINC000060382310 132368715 /nfs/dbraw/zinc/36/87/15/132368715.db2.gz LNPUDYDPSWKKTG-GFCCVEGCSA-N 1 0 221.304 0.892 10 0 BCAERO [NH3+]Cc1cc(N2CCC[C@@H](CO)C2)ccn1 ZINC000060382283 132368773 /nfs/dbraw/zinc/36/87/73/132368773.db2.gz ZAAVQMIWQXOZMS-SNVBAGLBSA-N 1 0 221.304 0.749 10 0 BCAERO c1cn2c(cccc2N2CC[NH2+]CC2)n1 ZINC000036220537 132444865 /nfs/dbraw/zinc/44/48/65/132444865.db2.gz FKRXTDSFOMPWTB-UHFFFAOYSA-N 1 0 202.261 0.744 10 0 BCAERO CC(C)CCN1CCN(CCC[NH3+])S1(=O)=O ZINC000077429486 166840889 /nfs/dbraw/zinc/84/08/89/166840889.db2.gz MFNNLKAHGNDAMR-UHFFFAOYSA-N 1 0 249.380 0.244 10 0 BCAERO CCOCCO[C@H](C)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000158248944 133499865 /nfs/dbraw/zinc/49/98/65/133499865.db2.gz AKHUWXVETOWPHV-MNOVXSKESA-N 1 0 244.335 0.378 10 0 BCAERO COc1ccsc1C(=O)N(C)C1C[NH2+]C1 ZINC000088028958 133545204 /nfs/dbraw/zinc/54/52/04/133545204.db2.gz LNNVGNYROLNYKJ-UHFFFAOYSA-N 1 0 226.301 0.801 10 0 BCAERO CNC(=O)[C@@H]1CCC[N@H+](CC2(O)CCC2)C1 ZINC000334762276 133754583 /nfs/dbraw/zinc/75/45/83/133754583.db2.gz QQRBHMBRZTZWKS-SNVBAGLBSA-N 1 0 226.320 0.359 10 0 BCAERO Cc1cccc(C)c1C(=O)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000335452153 133850671 /nfs/dbraw/zinc/85/06/71/133850671.db2.gz HAOJSCYFNQUAFH-NEPJUHHUSA-N 1 0 248.326 0.614 10 0 BCAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)C1CC2(CCC2)C1 ZINC000335470541 133878215 /nfs/dbraw/zinc/87/82/15/133878215.db2.gz QAJIKNRLDTYEEC-QWRGUYRKSA-N 1 0 238.331 0.263 10 0 BCAERO C[C@@H]1CN(C(=O)[C@H]2CC[C@H]([NH3+])C2)CCO1 ZINC000085009003 134220624 /nfs/dbraw/zinc/22/06/24/134220624.db2.gz YIZHFNSSNHRRTM-UTLUCORTSA-N 1 0 212.293 0.361 10 0 BCAERO [NH3+][C@@H]1CC[C@@H](C(=O)NC[C@@H]2CCOC2)C1 ZINC000085010945 134220914 /nfs/dbraw/zinc/22/09/14/134220914.db2.gz GKHNFGWFXZVWMV-IVZWLZJFSA-N 1 0 212.293 0.267 10 0 BCAERO Cc1cc(CNC(=O)[C@@H]2CC[C@H]([NH3+])C2)on1 ZINC000085012423 134221161 /nfs/dbraw/zinc/22/11/61/134221161.db2.gz WWLOHQOILNBAHJ-BDAKNGLRSA-N 1 0 223.276 0.727 10 0 BCAERO CCS(=O)(=O)N[C@](C)(C[NH3+])C1CC1 ZINC000168565595 134226754 /nfs/dbraw/zinc/22/67/54/134226754.db2.gz SDBSETDUILTWEH-MRVPVSSYSA-N 1 0 206.311 0.053 10 0 BCAERO CO[C@H](C)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000168654504 134239209 /nfs/dbraw/zinc/23/92/09/134239209.db2.gz FKJLVFXZOHZTQV-NXEZZACHSA-N 1 0 212.293 0.328 10 0 BCAERO COCCC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000170728085 134253247 /nfs/dbraw/zinc/25/32/47/134253247.db2.gz AQBLFGQFQPTKSW-JTQLQIEISA-N 1 0 212.293 0.330 10 0 BCAERO CC(C)CNC(=O)CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171642401 134257488 /nfs/dbraw/zinc/25/74/88/134257488.db2.gz CAGCTCHUPQRSFA-GFCCVEGCSA-N 1 0 239.363 0.539 10 0 BCAERO CN(C(=O)CC[C@@H]1CCCO1)C1C[NH2+]C1 ZINC000085257526 134267382 /nfs/dbraw/zinc/26/73/82/134267382.db2.gz SHAQFYDTSJSUTF-JTQLQIEISA-N 1 0 212.293 0.376 10 0 BCAERO Cc1cccc(C(=O)N(C)C2C[NH2+]C2)c1O ZINC000085257628 134269348 /nfs/dbraw/zinc/26/93/48/134269348.db2.gz ATSDYROSCPGUTB-UHFFFAOYSA-N 1 0 220.272 0.744 10 0 BCAERO CCc1nnsc1C(=O)N(C)C1C[NH2+]C1 ZINC000085257650 134269366 /nfs/dbraw/zinc/26/93/66/134269366.db2.gz UDZXLYNBZAWIDC-UHFFFAOYSA-N 1 0 226.305 0.144 10 0 BCAERO COCCCN1CCO[C@H](c2nnc(C)[nH]2)C1 ZINC000173676629 134275956 /nfs/dbraw/zinc/27/59/56/134275956.db2.gz ULZQXKWAVNXCAN-JTQLQIEISA-N 1 0 240.307 0.523 10 0 BCAERO O=C(C1=CCCCO1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000174663005 134283046 /nfs/dbraw/zinc/28/30/46/134283046.db2.gz AUELUXDDIGCXOC-LLVKDONJSA-N 1 0 236.315 0.987 10 0 BCAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1CCCO ZINC000175056705 134284443 /nfs/dbraw/zinc/28/44/43/134284443.db2.gz FNYYGLCAASBDGJ-NWDGAFQWSA-N 1 0 212.337 0.927 10 0 BCAERO C[C@@H](C(=O)OC(C)(C)C)N(C)C(=O)C[NH+](C)C ZINC000175863324 134288237 /nfs/dbraw/zinc/28/82/37/134288237.db2.gz QACYSUPBEDUYDZ-VIFPVBQESA-N 1 0 244.335 0.737 10 0 BCAERO COCC[N@H+]1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000177229283 134296094 /nfs/dbraw/zinc/29/60/94/134296094.db2.gz DFVKRNDEUSPOLP-RYUDHWBXSA-N 1 0 228.336 0.285 10 0 BCAERO O=C1NCC[C@@H]1[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000178195516 134304461 /nfs/dbraw/zinc/30/44/61/134304461.db2.gz FQXVVBOELZIWNM-NSHDSACASA-N 1 0 234.303 0.478 10 0 BCAERO O=C1NCC[C@H]1[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000178195505 134304577 /nfs/dbraw/zinc/30/45/77/134304577.db2.gz FQXVVBOELZIWNM-LLVKDONJSA-N 1 0 234.303 0.478 10 0 BCAERO CNC(=O)CCN(C)C(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000178510686 134307806 /nfs/dbraw/zinc/30/78/06/134307806.db2.gz JNHIOAYYWMPRJY-ZJUUUORDSA-N 1 0 241.335 0.098 10 0 BCAERO C[NH2+]CCCC(=O)N[C@@H](C(N)=O)C(C)(C)C ZINC000178539527 134308060 /nfs/dbraw/zinc/30/80/60/134308060.db2.gz OYDUWYGJLJQINJ-VIFPVBQESA-N 1 0 229.324 0.002 10 0 BCAERO O=C(NCCSC(F)(F)F)[C@H]1CC[NH2+]C1 ZINC000178415207 134310318 /nfs/dbraw/zinc/31/03/18/134310318.db2.gz NDRIMBXHUCYDBB-LURJTMIESA-N 1 0 242.266 0.965 10 0 BCAERO C[C@@H]([NH3+])CCNC(=O)CCNC(=O)C(C)(C)C ZINC000178625760 134312156 /nfs/dbraw/zinc/31/21/56/134312156.db2.gz QTVQGVQXPISNDZ-SECBINFHSA-N 1 0 243.351 0.392 10 0 BCAERO CCOCCO[C@@H](C)C(=O)NCC[C@@H](C)[NH3+] ZINC000178667828 134312464 /nfs/dbraw/zinc/31/24/64/134312464.db2.gz XRCFBRIUXPRUKY-ZJUUUORDSA-N 1 0 232.324 0.282 10 0 BCAERO Cc1ncc(C(=O)NCC[C@@H](C)[NH3+])s1 ZINC000178700987 134313448 /nfs/dbraw/zinc/31/34/48/134313448.db2.gz OLSSKHXRJXRWHP-ZCFIWIBFSA-N 1 0 213.306 0.919 10 0 BCAERO CCO[C@@H]1C[C@@H]1C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000178959696 134313646 /nfs/dbraw/zinc/31/36/46/134313646.db2.gz HZVWDZJILSHMOK-GARJFASQSA-N 1 0 226.320 0.527 10 0 BCAERO COC[C@@H](C)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000178945892 134313781 /nfs/dbraw/zinc/31/37/81/134313781.db2.gz NQELZQXSZHQJHD-NXEZZACHSA-N 1 0 214.309 0.385 10 0 BCAERO COC[C@H](C)C(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000179073206 134314679 /nfs/dbraw/zinc/31/46/79/134314679.db2.gz BYIFCFFCKGARRA-DTWKUNHWSA-N 1 0 200.282 0.089 10 0 BCAERO C[C@H]([NH2+]C[C@H]1CN(C)CCO1)C1CCOCC1 ZINC000221959782 134326532 /nfs/dbraw/zinc/32/65/32/134326532.db2.gz KGYVMZOMTZYNFH-AAEUAGOBSA-N 1 0 242.363 0.722 10 0 BCAERO CCC[C@H](C(=O)NCCCOCCO)[NH+](C)C ZINC000180388353 134326588 /nfs/dbraw/zinc/32/65/88/134326588.db2.gz CMJBBXZISZJAJI-LLVKDONJSA-N 1 0 246.351 0.232 10 0 BCAERO COC[C@@H]([NH2+][C@H]1CCc2ncnn2C1)C(C)C ZINC000180600833 134330320 /nfs/dbraw/zinc/33/03/20/134330320.db2.gz RBDDDKWDKNNUNL-WDEREUQCSA-N 1 0 238.335 0.854 10 0 BCAERO COC(=O)[C@@H](C)C[N@@H+]1CCC[C@H]1CO ZINC000085397134 134361108 /nfs/dbraw/zinc/36/11/08/134361108.db2.gz FVRUHFFVQOJXJZ-IUCAKERBSA-N 1 0 201.266 0.252 10 0 BCAERO C[C@@H]1OCC[C@H]1[NH2+]C[C@@H](O)COC(C)(C)C ZINC000226437444 134363390 /nfs/dbraw/zinc/36/33/90/134363390.db2.gz SSLGXVKAQACWLY-HBNTYKKESA-N 1 0 231.336 0.929 10 0 BCAERO CC(C)(C)OCC[N@@H+]1C[C@H](O)C[C@@H]1CO ZINC000185178476 134372247 /nfs/dbraw/zinc/37/22/47/134372247.db2.gz HWFDQAXPJWCYSZ-NXEZZACHSA-N 1 0 217.309 0.229 10 0 BCAERO C[C@H]1OCC[C@@]1(O)C[NH2+]C1CCC(O)CC1 ZINC000227126185 134376349 /nfs/dbraw/zinc/37/63/49/134376349.db2.gz QCBJDYYRLNDMRJ-HBIQZDMRSA-N 1 0 229.320 0.419 10 0 BCAERO OCC[C@H]1CC[N@H+](Cc2cn3cccnc3n2)C1 ZINC000227572469 134383200 /nfs/dbraw/zinc/38/32/00/134383200.db2.gz AHCYBZJQJOYENE-LLVKDONJSA-N 1 0 246.314 0.934 10 0 BCAERO CCc1nn(C)cc1C(=O)N(C)C1C[NH2+]C1 ZINC000227555793 134383209 /nfs/dbraw/zinc/38/32/09/134383209.db2.gz KEBBELMPCSXUMS-UHFFFAOYSA-N 1 0 222.292 0.026 10 0 BCAERO C[C@H](C(=O)NC(C)(C)C)[N@@H+]1CC[C@@H](CCO)C1 ZINC000227566555 134383222 /nfs/dbraw/zinc/38/32/22/134383222.db2.gz KSEYNNZNJFFVJA-MNOVXSKESA-N 1 0 242.363 0.994 10 0 BCAERO CCC(C)(C)NC(=O)C[N@@H+]1CC[C@@H](CCO)C1 ZINC000227569121 134383409 /nfs/dbraw/zinc/38/34/09/134383409.db2.gz QQLPVLSOPOVMGX-NSHDSACASA-N 1 0 242.363 0.996 10 0 BCAERO CCCCOC[C@H](O)C[NH2+][C@H](CO)C(C)C ZINC000227894234 134397692 /nfs/dbraw/zinc/39/76/92/134397692.db2.gz YDVATLSCAXYZCA-VXGBXAGGSA-N 1 0 233.352 0.771 10 0 BCAERO CCCNC(=O)[C@H](C)N1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000233074244 134558957 /nfs/dbraw/zinc/55/89/57/134558957.db2.gz YOXHTGXGFAYGAR-UTLUCORTSA-N 1 0 213.325 0.180 10 0 BCAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)N1CCCC1 ZINC000085960686 134559398 /nfs/dbraw/zinc/55/93/98/134559398.db2.gz MCOITZKYDQJKLB-VHSXEESVSA-N 1 0 211.309 0.932 10 0 BCAERO CCOC(=O)COCC[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000233679350 134565458 /nfs/dbraw/zinc/56/54/58/134565458.db2.gz FJPMLAIAFMYTGX-QWRGUYRKSA-N 1 0 245.319 0.723 10 0 BCAERO C[NH2+]C[C@H](C)C(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000086064632 134578671 /nfs/dbraw/zinc/57/86/71/134578671.db2.gz ROQXBYBDYKXCRM-GUBZILKMSA-N 1 0 214.309 0.478 10 0 BCAERO C[C@@H]1CN(C(=O)c2ccc3[nH]cnc3c2)C[C@H]1[NH3+] ZINC000235376687 134590632 /nfs/dbraw/zinc/59/06/32/134590632.db2.gz RLSZUHWQOPLPOX-PSASIEDQSA-N 1 0 244.298 0.982 10 0 BCAERO C[C@H]1CN(C(=O)C(C)(C)O)C[C@@H]1[NH+](C)C ZINC000235605541 134597047 /nfs/dbraw/zinc/59/70/47/134597047.db2.gz NGGUCIPQBPDKAZ-IUCAKERBSA-N 1 0 214.309 0.166 10 0 BCAERO C[C@@H](CC[NH3+])Nc1ccnc(C(N)=O)c1 ZINC000134269819 134706829 /nfs/dbraw/zinc/70/68/29/134706829.db2.gz HGEAMBLGYFBURC-ZETCQYMHSA-N 1 0 208.265 0.330 10 0 BCAERO CC[C@H](O)C[N@H+]1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000246213680 134881182 /nfs/dbraw/zinc/88/11/82/134881182.db2.gz YVEAECSXHCYZJC-AVGNSLFASA-N 1 0 242.363 0.410 10 0 BCAERO CC(C)[C@H]([NH3+])CNc1ncnc2c1cnn2C ZINC000070447784 134919278 /nfs/dbraw/zinc/91/92/78/134919278.db2.gz MEFKFVIIUMUPDR-SECBINFHSA-N 1 0 234.307 0.759 10 0 BCAERO CO[C@H](C)C[N@@H+]1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000248443494 135009624 /nfs/dbraw/zinc/00/96/24/135009624.db2.gz VVTHZYWSYOTSRZ-YNEHKIRRSA-N 1 0 242.363 0.674 10 0 BCAERO CCc1nnc(CN2CC[N@@H+]3CCC[C@H]3C2)[nH]1 ZINC000249282415 135027457 /nfs/dbraw/zinc/02/74/57/135027457.db2.gz HBLLXFNUMXXKBU-JTQLQIEISA-N 1 0 235.335 0.647 10 0 BCAERO CC(=O)N[C@@H]1CCC[N@H+](C[C@H]2CCCO2)C1 ZINC000249708381 135043464 /nfs/dbraw/zinc/04/34/64/135043464.db2.gz BXWCEGUBLVVOHP-VXGBXAGGSA-N 1 0 226.320 0.766 10 0 BCAERO CCC[C@H](O)CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000251095414 135064434 /nfs/dbraw/zinc/06/44/34/135064434.db2.gz CDLHOIKLIFYTIX-RYUDHWBXSA-N 1 0 212.337 0.927 10 0 BCAERO OC[C@@H]1CCC[N@@H+]([C@H]2CCCC[C@H]2O)C1 ZINC000251276148 135067965 /nfs/dbraw/zinc/06/79/65/135067965.db2.gz MHBUEMPZYJVOJN-GRYCIOLGSA-N 1 0 213.321 0.994 10 0 BCAERO CCOC[C@@H](O)C[N@H+]1[C@H](C)COC[C@@H]1C ZINC000077657750 135072126 /nfs/dbraw/zinc/07/21/26/135072126.db2.gz YAONYOKSFUVVHM-AXFHLTTASA-N 1 0 217.309 0.493 10 0 BCAERO COC(=O)[C@H](C)C[N@@H+]1C[C@H](C)[C@H](N(C)C)C1 ZINC000251934557 135081727 /nfs/dbraw/zinc/08/17/27/135081727.db2.gz ZBRLUDBLMQYDTE-HBNTYKKESA-N 1 0 228.336 0.677 10 0 BCAERO C[C@@H]1CCCN(c2nccn3cnnc23)[C@H]1C[NH3+] ZINC000252094032 135083896 /nfs/dbraw/zinc/08/38/96/135083896.db2.gz FCWIFARMWFSTJJ-ZJUUUORDSA-N 1 0 246.318 0.688 10 0 BCAERO C[C@@H]1C[N@H+](CCCCO)C[C@H]1N(C)C ZINC000252493745 135091106 /nfs/dbraw/zinc/09/11/06/135091106.db2.gz WAHWZVNTYVOGGB-GHMZBOCLSA-N 1 0 200.326 0.641 10 0 BCAERO C[C@H]1C[N@H+](CC(C)(C)O)C[C@H]1N(C)C ZINC000252492855 135091341 /nfs/dbraw/zinc/09/13/41/135091341.db2.gz CUJQHAOXBDOEKB-VHSXEESVSA-N 1 0 200.326 0.639 10 0 BCAERO OCCCCN1CC[N@@H+]2CCCC[C@H]2C1 ZINC000086657866 135091581 /nfs/dbraw/zinc/09/15/81/135091581.db2.gz IATOYPZWBWDDLE-LBPRGKRZSA-N 1 0 212.337 0.929 10 0 BCAERO COC[C@H](O)C[N@@H+]1C[C@@H]2CCCCN2C[C@H]1C ZINC000252662099 135094107 /nfs/dbraw/zinc/09/41/07/135094107.db2.gz UMSMWLNABUDIOK-FRRDWIJNSA-N 1 0 242.363 0.552 10 0 BCAERO COC[C@H](O)C[N@@H+]1C[C@H]2CCCCN2C[C@@H]1C ZINC000252662101 135094765 /nfs/dbraw/zinc/09/47/65/135094765.db2.gz UMSMWLNABUDIOK-YNEHKIRRSA-N 1 0 242.363 0.552 10 0 BCAERO OC[C@H](N[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000086730007 135094833 /nfs/dbraw/zinc/09/48/33/135094833.db2.gz UYCUPMVAFIEHHR-RYUDHWBXSA-N 1 0 206.289 0.672 10 0 BCAERO O=C(NC[C@@H]1CC[NH2+]C1)C1CCSCC1 ZINC000257769560 135100507 /nfs/dbraw/zinc/10/05/07/135100507.db2.gz IBTNZORRALIUIJ-SECBINFHSA-N 1 0 228.361 0.855 10 0 BCAERO C1C[C@@H]2CN(C3CCOCC3)CC[N@@H+]2C1 ZINC000086930803 135103414 /nfs/dbraw/zinc/10/34/14/135103414.db2.gz VZMHOYFGOHBUDS-GFCCVEGCSA-N 1 0 210.321 0.945 10 0 BCAERO [NH3+]C[C@H]1CC[C@@H](C(=O)NCc2nccs2)O1 ZINC000087046789 135106245 /nfs/dbraw/zinc/10/62/45/135106245.db2.gz SFUUOHULPWFOLG-SFYZADRCSA-N 1 0 241.316 0.266 10 0 BCAERO COCCCNC(=O)[C@H]1CCC[NH2+][C@@H]1C ZINC000087122107 135106854 /nfs/dbraw/zinc/10/68/54/135106854.db2.gz YTEXEENTYZSXHA-ZJUUUORDSA-N 1 0 214.309 0.527 10 0 BCAERO COCCCN(C)C(=O)[C@H]1CCC[NH2+][C@H]1C ZINC000087122899 135107331 /nfs/dbraw/zinc/10/73/31/135107331.db2.gz JLYLXWPRUHHXOF-QWRGUYRKSA-N 1 0 228.336 0.869 10 0 BCAERO C1OCC1[NH2+][C@@H]1CCOC2(CCOCC2)C1 ZINC000087195564 135111136 /nfs/dbraw/zinc/11/11/36/135111136.db2.gz CPOBDLBTKAMUPF-SNVBAGLBSA-N 1 0 227.304 0.703 10 0 BCAERO COC(=O)[C@H](C)C[NH2+][C@@H](C)[C@H](C)CO ZINC000252962772 135117370 /nfs/dbraw/zinc/11/73/70/135117370.db2.gz VWHVWJSQUUIKDV-HLTSFMKQSA-N 1 0 203.282 0.402 10 0 BCAERO COC(=O)[C@H](C)C[NH2+][C@@H](C)[C@H]1CCOC1 ZINC000253064481 135120011 /nfs/dbraw/zinc/12/00/11/135120011.db2.gz HMZURMDPNTUQMG-UTLUCORTSA-N 1 0 215.293 0.810 10 0 BCAERO C[C@@H](C(=O)N[C@@H]1CCO[C@H]1C)C1C[NH2+]C1 ZINC000253168819 135123373 /nfs/dbraw/zinc/12/33/73/135123373.db2.gz AYYFBAHAPZATCU-KHQFGBGNSA-N 1 0 212.293 0.136 10 0 BCAERO C[C@@H]1CCN(c2ncccn2)C[C@H]1C[NH3+] ZINC000253186868 135123381 /nfs/dbraw/zinc/12/33/81/135123381.db2.gz IZVLJMUYBXITQH-NXEZZACHSA-N 1 0 206.293 0.898 10 0 BCAERO C[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000253272448 135125728 /nfs/dbraw/zinc/12/57/28/135125728.db2.gz CDQJWJOIIYVNNN-TUAOUCFPSA-N 1 0 240.347 0.964 10 0 BCAERO C[N@H+](CC(C)(CO)CO)[C@H]1CCCC[C@H]1O ZINC000253624934 135127945 /nfs/dbraw/zinc/12/79/45/135127945.db2.gz YEOUDWWDBOLDAV-WDEREUQCSA-N 1 0 231.336 0.213 10 0 BCAERO O=C(NC[C@H]1CCCCS1)NC1C[NH2+]C1 ZINC000258377865 135132039 /nfs/dbraw/zinc/13/20/39/135132039.db2.gz HDVSYWBRMOPURR-SECBINFHSA-N 1 0 229.349 0.543 10 0 BCAERO O=C(NC[C@H]1CCCS1)NC1C[NH2+]C1 ZINC000258413374 135132686 /nfs/dbraw/zinc/13/26/86/135132686.db2.gz IVRKURGQUYGYNM-MRVPVSSYSA-N 1 0 215.322 0.153 10 0 BCAERO O=C(NCCC1CCOCC1)C1C[NH2+]C1 ZINC000258611507 135132806 /nfs/dbraw/zinc/13/28/06/135132806.db2.gz AXHYESFORDEVSG-UHFFFAOYSA-N 1 0 212.293 0.139 10 0 BCAERO CN(C(=O)C[C@H]1CCCCO1)C1C[NH2+]C1 ZINC000087419987 135137077 /nfs/dbraw/zinc/13/70/77/135137077.db2.gz OYCGNDUYAOHOHY-SNVBAGLBSA-N 1 0 212.293 0.376 10 0 BCAERO Cc1cc(NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)nn1C ZINC000257714284 135140583 /nfs/dbraw/zinc/14/05/83/135140583.db2.gz SPHONUXSIKGXNA-RKDXNWHRSA-N 1 0 222.292 0.794 10 0 BCAERO Cc1nccc(N2CC[C@@]3(CC[NH2+]C3)C2)n1 ZINC000257759209 135141405 /nfs/dbraw/zinc/14/14/05/135141405.db2.gz XKTLVGMDPVHMBQ-GFCCVEGCSA-N 1 0 218.304 0.975 10 0 BCAERO Cc1nccc(N2CC[C@]3(CC[NH2+]C3)C2)n1 ZINC000257759210 135141423 /nfs/dbraw/zinc/14/14/23/135141423.db2.gz XKTLVGMDPVHMBQ-LBPRGKRZSA-N 1 0 218.304 0.975 10 0 BCAERO Cc1ccc(S(=O)(=O)NC[C@H]2CC[NH2+]C2)o1 ZINC000259271984 135142525 /nfs/dbraw/zinc/14/25/25/135142525.db2.gz URNYLYPBXGIAEN-VIFPVBQESA-N 1 0 244.316 0.476 10 0 BCAERO CCOC(=O)[C@H](C)N1C[C@H]([NH3+])[C@@H](C)C1 ZINC000261530021 135156273 /nfs/dbraw/zinc/15/62/73/135156273.db2.gz XDFDCRYIDNKZDC-CIUDSAMLSA-N 1 0 200.282 0.217 10 0 BCAERO Cc1cc(N2C[C@H](C)[C@H]([NH3+])C2)nc(C)n1 ZINC000261530130 135157635 /nfs/dbraw/zinc/15/76/35/135157635.db2.gz CBDPLINTLLMZGP-OIBJUYFYSA-N 1 0 206.293 0.877 10 0 BCAERO O=C(C[C@@H]1CCCCO1)NC[C@@H]1CC[NH2+]C1 ZINC000087654931 135161745 /nfs/dbraw/zinc/16/17/45/135161745.db2.gz JKIROJYJELBBPG-MNOVXSKESA-N 1 0 226.320 0.671 10 0 BCAERO Cc1cnn(CCN2C[C@H](C)[C@H]([NH3+])C2)c1 ZINC000261531966 135161705 /nfs/dbraw/zinc/16/17/05/135161705.db2.gz INLKACOPJAKYSU-WDEREUQCSA-N 1 0 208.309 0.471 10 0 BCAERO O=C(CC[C@@H]1CCCO1)NC[C@H]1CC[NH2+]C1 ZINC000087655030 135161874 /nfs/dbraw/zinc/16/18/74/135161874.db2.gz WAPWQILTYGOXSD-QWRGUYRKSA-N 1 0 226.320 0.671 10 0 BCAERO CCOCCC(=O)NC[C@H]1CC[NH2+]C1 ZINC000087654982 135161923 /nfs/dbraw/zinc/16/19/23/135161923.db2.gz WQAPELMTZLFSTI-VIFPVBQESA-N 1 0 200.282 0.139 10 0 BCAERO COCC[C@]1(c2nc(C)no2)CC[NH2+]C1 ZINC000261531903 135162099 /nfs/dbraw/zinc/16/20/99/135162099.db2.gz IHXUGMLITRJEBD-SNVBAGLBSA-N 1 0 211.265 0.646 10 0 BCAERO CO[C@H](C)CNC(=O)CC[C@H]1CCC[NH2+]1 ZINC000261532642 135163331 /nfs/dbraw/zinc/16/33/31/135163331.db2.gz KBXZBPBWWWAIKG-NXEZZACHSA-N 1 0 214.309 0.670 10 0 BCAERO CC(C)c1noc(CN2C[C@H](C)[C@H]([NH3+])C2)n1 ZINC000261532714 135163345 /nfs/dbraw/zinc/16/33/45/135163345.db2.gz DDVIODMEAQAGRX-DTWKUNHWSA-N 1 0 224.308 0.972 10 0 BCAERO CC(C)[C@H](C)NC(=O)CN1C[C@H](C)[C@H]([NH3+])C1 ZINC000261532763 135163731 /nfs/dbraw/zinc/16/37/31/135163731.db2.gz DXMDWXCMEKVSEO-GARJFASQSA-N 1 0 227.352 0.426 10 0 BCAERO CN(C(=O)[C@H]1C[C@]12CC[NH2+]C2)C1CCC1 ZINC000261533190 135163860 /nfs/dbraw/zinc/16/38/60/135163860.db2.gz AWQBGYHVQFQNJU-PWSUYJOCSA-N 1 0 208.305 0.997 10 0 BCAERO C[C@@H](C(=O)/N=c1/sccn1C)C1C[NH2+]C1 ZINC000261532898 135164118 /nfs/dbraw/zinc/16/41/18/135164118.db2.gz AOYHQEFCFMBDMC-SHHDITTOSA-N 1 0 225.317 0.369 10 0 BCAERO C[NH2+][C@@H](C)CNS(=O)(=O)N1CCC[C@H](C)C1 ZINC000261532991 135164268 /nfs/dbraw/zinc/16/42/68/135164268.db2.gz FLCMNQHHVNIHCE-UWVGGRQHSA-N 1 0 249.380 0.161 10 0 BCAERO CC(C)CNC(=O)[C@H](C)N1C[C@H]([NH3+])[C@@H](C)C1 ZINC000261533013 135164297 /nfs/dbraw/zinc/16/42/97/135164297.db2.gz FVSSOUIHYGLAKM-DCAQKATOSA-N 1 0 227.352 0.426 10 0 BCAERO CCNC(=O)c1c[nH]nc1[C@H]1CCC[NH2+]C1 ZINC000261533384 135164928 /nfs/dbraw/zinc/16/49/28/135164928.db2.gz HSBKIQXZBIILPR-QMMMGPOBSA-N 1 0 222.292 0.626 10 0 BCAERO CNC(=O)c1c[nH]nc1[C@@H]1CCC[NH2+]C1 ZINC000261533296 135165025 /nfs/dbraw/zinc/16/50/25/135165025.db2.gz KQTGRQCNNPTHDV-SSDOTTSWSA-N 1 0 208.265 0.236 10 0 BCAERO Cc1noc(CN2CC[C@H](C)C[C@H]2C[NH3+])n1 ZINC000261533968 135165502 /nfs/dbraw/zinc/16/55/02/135165502.db2.gz METGVHGCPQLZTG-WPRPVWTQSA-N 1 0 224.308 0.937 10 0 BCAERO COc1cc(N2CC[C@@H]([NH3+])[C@H]2C)ncn1 ZINC000261534122 135165929 /nfs/dbraw/zinc/16/59/29/135165929.db2.gz LTIWSFCUXNTKQC-HTQZYQBOSA-N 1 0 208.265 0.411 10 0 BCAERO CN(C(=O)C1CCSCC1)C1C[NH2+]C1 ZINC000261534392 135167094 /nfs/dbraw/zinc/16/70/94/135167094.db2.gz MFAWTLPJFVNLHL-UHFFFAOYSA-N 1 0 214.334 0.560 10 0 BCAERO CO[C@H](C)C(=O)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261535090 135168888 /nfs/dbraw/zinc/16/88/88/135168888.db2.gz NSTLGNWKCWTEIL-RKDXNWHRSA-N 1 0 214.309 0.607 10 0 BCAERO C[C@H](C[NH3+])NC(=O)c1ncncc1Cl ZINC000261535076 135169127 /nfs/dbraw/zinc/16/91/27/135169127.db2.gz NSNIBMNOJXCUCT-RXMQYKEDSA-N 1 0 214.656 0.207 10 0 BCAERO CCN(C(=O)[C@H]([NH3+])COC)C1CCC1 ZINC000261536319 135171595 /nfs/dbraw/zinc/17/15/95/135171595.db2.gz RGABHDRIEGJKQS-SECBINFHSA-N 1 0 200.282 0.361 10 0 BCAERO CC(C)[C@H]1OCC[C@H]1CNC(=O)C[NH3+] ZINC000261536424 135172562 /nfs/dbraw/zinc/17/25/62/135172562.db2.gz RQYGHHCIBKQBML-WCBMZHEXSA-N 1 0 200.282 0.122 10 0 BCAERO COc1ncc(Cl)c(N(C)[C@@H]2CC[NH2+]C2)n1 ZINC000087799176 135173072 /nfs/dbraw/zinc/17/30/72/135173072.db2.gz MHUGAFSEKICWST-SSDOTTSWSA-N 1 0 242.710 0.937 10 0 BCAERO C[NH2+]CCC(=O)N1[C@H](C)COC[C@H]1C ZINC000261537476 135173762 /nfs/dbraw/zinc/17/37/62/135173762.db2.gz VSGFGCLCBJLVQH-RKDXNWHRSA-N 1 0 200.282 0.232 10 0 BCAERO C[C@@]1(C[NH3+])CCN(C(=O)NC2CCC2)C1 ZINC000261537936 135174304 /nfs/dbraw/zinc/17/43/04/135174304.db2.gz WUHGSFTWNZGVCT-NSHDSACASA-N 1 0 211.309 0.919 10 0 BCAERO CCOC(=O)CN1CC[C@H](C)C[C@H]1C[NH3+] ZINC000261537885 135174356 /nfs/dbraw/zinc/17/43/56/135174356.db2.gz WNZVORZAALRHKM-UWVGGRQHSA-N 1 0 214.309 0.609 10 0 BCAERO CCN(C)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261538594 135176716 /nfs/dbraw/zinc/17/67/16/135176716.db2.gz YRCGLMVZNXSECX-IVZWLZJFSA-N 1 0 211.309 0.727 10 0 BCAERO COC[C@H](C)C(=O)NCC1([NH3+])CCC1 ZINC000261538943 135177454 /nfs/dbraw/zinc/17/74/54/135177454.db2.gz ZXWREOYSBQZSLJ-QMMMGPOBSA-N 1 0 200.282 0.267 10 0 BCAERO C[C@H]1SCCN(C(=O)[C@H]2CC[NH2+]C2)[C@H]1C ZINC000261539528 135178088 /nfs/dbraw/zinc/17/80/88/135178088.db2.gz CRIUFEIQKIUIED-AEJSXWLSSA-N 1 0 228.361 0.948 10 0 BCAERO O[C@H]1C[NH2+]C[C@H]1CNCc1ncc(Cl)s1 ZINC000261539739 135178479 /nfs/dbraw/zinc/17/84/79/135178479.db2.gz DBTOFCSWPGJAFB-BQBZGAKWSA-N 1 0 247.751 0.466 10 0 BCAERO Cc1[nH]ccc1C(=O)NC[C@H]1CC[NH2+]C1 ZINC000261540863 135180207 /nfs/dbraw/zinc/18/02/07/135180207.db2.gz FJZABSIMIXUZIE-VIFPVBQESA-N 1 0 207.277 0.662 10 0 BCAERO CC1(C)CN(C(=O)Cn2cccn2)CC[C@@H]1[NH3+] ZINC000261541482 135180834 /nfs/dbraw/zinc/18/08/34/135180834.db2.gz BCDLJKZGJHTXLG-JTQLQIEISA-N 1 0 236.319 0.469 10 0 BCAERO Cc1ncc(CNC[C@H]2C[NH2+]C[C@H]2O)s1 ZINC000261541092 135181020 /nfs/dbraw/zinc/18/10/20/135181020.db2.gz FMXXRPQWRSGNHC-WCBMZHEXSA-N 1 0 227.333 0.121 10 0 BCAERO Cc1cc(C(=O)N[C@H]2CCC[NH2+][C@@H]2C)nn1C ZINC000261542825 135183312 /nfs/dbraw/zinc/18/33/12/135183312.db2.gz QJKURWAJEPHCLA-ZJUUUORDSA-N 1 0 236.319 0.599 10 0 BCAERO C[C@@H](C(=O)NC[C@H]1CC[NH2+]C1)C(F)(F)F ZINC000261543194 135184221 /nfs/dbraw/zinc/18/42/21/135184221.db2.gz HPPHCBVOQDKLIE-BQBZGAKWSA-N 1 0 224.226 0.911 10 0 BCAERO CC[C@H](OC)C(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000261544266 135185065 /nfs/dbraw/zinc/18/50/65/135185065.db2.gz IUHQDZZFPWCOAF-GUBZILKMSA-N 1 0 214.309 0.655 10 0 BCAERO CC1(C)CN(CC(=O)NCC2CC2)CC[C@H]1[NH3+] ZINC000261544658 135185923 /nfs/dbraw/zinc/18/59/23/135185923.db2.gz FDGWIESCBXSRTL-LLVKDONJSA-N 1 0 239.363 0.572 10 0 BCAERO CC[C@@H]1CN(C(=O)[C@@H]([NH3+])C(C)C)C[C@@H]1O ZINC000261544546 135185997 /nfs/dbraw/zinc/18/59/97/135185997.db2.gz IZVZNFUXHDHWGU-UTLUCORTSA-N 1 0 214.309 0.199 10 0 BCAERO C[C@H]1CN(CC(=O)N2CCC[C@@H](C)C2)C[C@H]1[NH3+] ZINC000261544717 135186170 /nfs/dbraw/zinc/18/61/70/135186170.db2.gz ZGFMYTHPUVHGTD-GRYCIOLGSA-N 1 0 239.363 0.524 10 0 BCAERO Cc1cc(C(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)nn1C ZINC000261548823 135187554 /nfs/dbraw/zinc/18/75/54/135187554.db2.gz FHTPRIWRBWRRMC-ZACCUICWSA-N 1 0 248.330 0.741 10 0 BCAERO C[C@@H](C(=O)NC1CC1)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261549008 135187743 /nfs/dbraw/zinc/18/77/43/135187743.db2.gz KCWUAZKQLNJFHR-GXSJLCMTSA-N 1 0 239.363 0.713 10 0 BCAERO C[C@@H]1[C@@H]([NH3+])CCN1CC(=O)N1CCCC[C@@H]1C ZINC000261548920 135187856 /nfs/dbraw/zinc/18/78/56/135187856.db2.gz JZDFKKGZJAXKIF-TUAOUCFPSA-N 1 0 239.363 0.809 10 0 BCAERO O=C(NC[C@@H]1CCCC[C@@H]1O)[C@H]1CC[NH2+]1 ZINC000261548827 135187870 /nfs/dbraw/zinc/18/78/70/135187870.db2.gz NYGWLFQUUSQPTI-AEJSXWLSSA-N 1 0 212.293 0.016 10 0 BCAERO C[NH2+]CCC(=O)N[C@@H]1CCCC[C@@H]1OC ZINC000261550225 135189152 /nfs/dbraw/zinc/18/91/52/135189152.db2.gz PKPIWYKURQDQCI-ZJUUUORDSA-N 1 0 214.309 0.670 10 0 BCAERO C[NH2+]CCCN(C)S(=O)(=O)NC1CCCC1 ZINC000084174586 135189454 /nfs/dbraw/zinc/18/94/54/135189454.db2.gz GXUBPXWSOOSMKO-UHFFFAOYSA-N 1 0 249.380 0.305 10 0 BCAERO OC[C@@]1(F)CCN(C[C@@H]2CCC[NH2+]C2)C1 ZINC000261551114 135189884 /nfs/dbraw/zinc/18/98/84/135189884.db2.gz QCWMXJSFCDXVQP-GHMZBOCLSA-N 1 0 216.300 0.392 10 0 BCAERO CC[C@H](C)NC(=O)CN1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261550934 135190069 /nfs/dbraw/zinc/19/00/69/135190069.db2.gz LPDAONJGWBZTDJ-WDEREUQCSA-N 1 0 241.379 0.960 10 0 BCAERO C[C@@H]1CN(C)CCN1C(=O)CC[C@@H]1CCC[NH2+]1 ZINC000261551255 135190113 /nfs/dbraw/zinc/19/01/13/135190113.db2.gz LXWDYMKWDRRRIU-NEPJUHHUSA-N 1 0 239.363 0.681 10 0 BCAERO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@@H]1C[C@H]1C1CC1 ZINC000261553215 135192552 /nfs/dbraw/zinc/19/25/52/135192552.db2.gz SJEHRLXEHBXQOY-OGBGREFGSA-N 1 0 206.289 0.367 10 0 BCAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)[C@@H]1Cc2ccccc2O1 ZINC000261553655 135192607 /nfs/dbraw/zinc/19/26/07/135192607.db2.gz AKIWYCVEMUSBDE-XWIASGKRSA-N 1 0 246.310 0.938 10 0 BCAERO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@H]1C[C@@H]1C1CC1 ZINC000261553216 135193121 /nfs/dbraw/zinc/19/31/21/135193121.db2.gz SJEHRLXEHBXQOY-XXFSISAASA-N 1 0 206.289 0.367 10 0 BCAERO CC[C@H](OC)C(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000261553981 135193341 /nfs/dbraw/zinc/19/33/41/135193341.db2.gz TUNNKCXHCQRQDY-GUBZILKMSA-N 1 0 214.309 0.668 10 0 BCAERO O=C(NC[C@@H]1CCC[C@H]1O)[C@@H]1CCC[NH2+]C1 ZINC000084238707 135194256 /nfs/dbraw/zinc/19/42/56/135194256.db2.gz UINJUUSYXCBGQT-HBNTYKKESA-N 1 0 226.320 0.263 10 0 BCAERO CC(C)([NH3+])C(=O)NC[C@H]1CCC[C@H]1O ZINC000084238494 135194275 /nfs/dbraw/zinc/19/42/75/135194275.db2.gz MGLQGCGPNVBZDD-HTQZYQBOSA-N 1 0 200.282 0.001 10 0 BCAERO CC(C)[C@@H]([NH3+])C(=O)NC[C@@H]1CCC[C@H]1O ZINC000084238766 135194350 /nfs/dbraw/zinc/19/43/50/135194350.db2.gz NJVBOGCVFSTAEV-IVZWLZJFSA-N 1 0 214.309 0.247 10 0 BCAERO O=C(C[NH2+]CC1CC1)NC[C@@H]1CCC[C@H]1O ZINC000084239023 135194402 /nfs/dbraw/zinc/19/44/02/135194402.db2.gz GGGYWFGIWLLCGE-WDEREUQCSA-N 1 0 226.320 0.263 10 0 BCAERO O=C(C[C@@H]1CCC[NH2+]1)NC[C@@H]1CCC[C@H]1O ZINC000084238278 135194434 /nfs/dbraw/zinc/19/44/34/135194434.db2.gz VJJGSPXWQNGWCP-GARJFASQSA-N 1 0 226.320 0.406 10 0 BCAERO CC(C)(C)[C@H]([NH3+])C(=O)NC[C@@H]1CCC[C@H]1O ZINC000084238392 135194541 /nfs/dbraw/zinc/19/45/41/135194541.db2.gz OMXLCVOJTCUMIA-IVZWLZJFSA-N 1 0 228.336 0.637 10 0 BCAERO C[C@H]([NH3+])CC(=O)NC[C@@H]1CCC[C@@H]1O ZINC000084238592 135194625 /nfs/dbraw/zinc/19/46/25/135194625.db2.gz BICJFONFJVFCTF-CIUDSAMLSA-N 1 0 200.282 0.001 10 0 BCAERO CC(C)[C@@H](NC(=O)CC[C@H]1CCC[NH2+]1)C(N)=O ZINC000261554833 135194741 /nfs/dbraw/zinc/19/47/41/135194741.db2.gz PDBHUTWZYTYPPC-MWLCHTKSSA-N 1 0 241.335 0.145 10 0 BCAERO COC(=O)C(C)(C)NC(=O)CC[C@H]1CCC[NH2+]1 ZINC000261555290 135195142 /nfs/dbraw/zinc/19/51/42/135195142.db2.gz PTCSUQHGWDTVMN-SECBINFHSA-N 1 0 242.319 0.586 10 0 BCAERO O=C(CC[C@H]1CCC[NH2+]1)NCCc1ncc[nH]1 ZINC000261555277 135195223 /nfs/dbraw/zinc/19/52/23/135195223.db2.gz PRYCNAPQULPCSI-SNVBAGLBSA-N 1 0 236.319 0.601 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N1C[C@H](O)[C@@H](CC)C1 ZINC000261555184 135195399 /nfs/dbraw/zinc/19/53/99/135195399.db2.gz UVWARMZOYDKQER-GUBZILKMSA-N 1 0 214.309 0.343 10 0 BCAERO CN(C(=O)CN1CC[C@H]2C[NH2+]C[C@@H]2C1)C1CC1 ZINC000261556184 135196443 /nfs/dbraw/zinc/19/64/43/135196443.db2.gz QMWVJOPVSYFGAH-WDEREUQCSA-N 1 0 237.347 0.149 10 0 BCAERO CCOC(=O)CCNC(=O)CC[C@H]1CCC[NH2+]1 ZINC000261559274 135200210 /nfs/dbraw/zinc/20/02/10/135200210.db2.gz SZXVDLWOMVXTDE-SNVBAGLBSA-N 1 0 242.319 0.588 10 0 BCAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)[C@@H](O)c1ccccc1 ZINC000261560154 135201126 /nfs/dbraw/zinc/20/11/26/135201126.db2.gz UGMVNCFBCWYIAY-JLLWLGSASA-N 1 0 234.299 0.668 10 0 BCAERO Cc1c(CN2CC[C@@H]3[NH2+]CC[C@H]3C2)cnn1C ZINC000261562064 135203873 /nfs/dbraw/zinc/20/38/73/135203873.db2.gz VZHSIHWXEWWYME-AAEUAGOBSA-N 1 0 234.347 0.912 10 0 BCAERO Cn1cncc1CN1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261563850 135206396 /nfs/dbraw/zinc/20/63/96/135206396.db2.gz CCDUBCWKFXJKBN-WDEREUQCSA-N 1 0 220.320 0.461 10 0 BCAERO C[C@H]1[C@H]([NH3+])CCN1C(=O)c1ccc2c(c1)OCO2 ZINC000261565102 135206856 /nfs/dbraw/zinc/20/68/56/135206856.db2.gz HOIIWBKPMQMLMY-WCBMZHEXSA-N 1 0 248.282 0.977 10 0 BCAERO C[C@H]1CCN(c2nccn3cnnc23)C[C@@H]1C[NH3+] ZINC000163992766 135210423 /nfs/dbraw/zinc/21/04/23/135210423.db2.gz PTJZREKLTRBJGT-UWVGGRQHSA-N 1 0 246.318 0.545 10 0 BCAERO CN(C(=O)CC[C@H]1CCC[NH2+]1)[C@@H]1CCOC1 ZINC000261569480 135211421 /nfs/dbraw/zinc/21/14/21/135211421.db2.gz GIESLTQLHBKZDH-GHMZBOCLSA-N 1 0 226.320 0.766 10 0 BCAERO C[C@@H]1CCN(c2ccnc(C(N)=O)c2)C[C@@H]1C[NH3+] ZINC000163950862 135211699 /nfs/dbraw/zinc/21/16/99/135211699.db2.gz NOKQWNPLSVINIZ-ZJUUUORDSA-N 1 0 248.330 0.602 10 0 BCAERO CSC(C)(C)CNC(=O)C1C[NH2+]C1 ZINC000164147499 135214699 /nfs/dbraw/zinc/21/46/99/135214699.db2.gz LPEOETGUDJZQCM-UHFFFAOYSA-N 1 0 202.323 0.464 10 0 BCAERO Cc1cnc(N2CC[C@@H]3[NH2+]CC[C@H]3C2)nc1 ZINC000261574590 135215822 /nfs/dbraw/zinc/21/58/22/135215822.db2.gz JIODNNMDJDVJMO-QWRGUYRKSA-N 1 0 218.304 0.973 10 0 BCAERO C[C@@H]([NH3+])CN1CCC[C@@H](n2cncn2)C1 ZINC000261573854 135216063 /nfs/dbraw/zinc/21/60/63/135216063.db2.gz JAYCSAHPLPAKKA-NXEZZACHSA-N 1 0 209.297 0.262 10 0 BCAERO CCCNC(=O)CN1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261575879 135217210 /nfs/dbraw/zinc/21/72/10/135217210.db2.gz JZFRBCFCMLCGFK-AXFHLTTASA-N 1 0 225.336 0.182 10 0 BCAERO Cc1nn(C)cc1C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261577418 135219013 /nfs/dbraw/zinc/21/90/13/135219013.db2.gz OHVVCLWLTIGUKX-MVWJERBFSA-N 1 0 248.330 0.538 10 0 BCAERO Cc1nn(C)cc1C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261577419 135219173 /nfs/dbraw/zinc/21/91/73/135219173.db2.gz OHVVCLWLTIGUKX-WCQGTBRESA-N 1 0 248.330 0.538 10 0 BCAERO O=C(CC[C@H]1CCC[NH2+]1)N1CCCOCC1 ZINC000261580991 135221871 /nfs/dbraw/zinc/22/18/71/135221871.db2.gz NGWGUUSZIOSGFA-LLVKDONJSA-N 1 0 226.320 0.768 10 0 BCAERO CCOC(=O)[C@H](C)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261582334 135223426 /nfs/dbraw/zinc/22/34/26/135223426.db2.gz OEXSQRKEZUDSFQ-NAKRPEOUSA-N 1 0 226.320 0.607 10 0 BCAERO [NH3+][C@@H](C(=O)NC1CCC1)C1CCOCC1 ZINC000261583535 135224580 /nfs/dbraw/zinc/22/45/80/135224580.db2.gz PCEMXHMYICHHOZ-SNVBAGLBSA-N 1 0 212.293 0.409 10 0 BCAERO Cn1ncnc1CN1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261587338 135228124 /nfs/dbraw/zinc/22/81/24/135228124.db2.gz RTAIOFGIFYELMF-VIFPVBQESA-N 1 0 223.324 0.374 10 0 BCAERO Cc1csc([C@@H]2CN(CC[NH3+])CCO2)n1 ZINC000261590958 135231952 /nfs/dbraw/zinc/23/19/52/135231952.db2.gz UXPOCFRNTYDQNQ-VIFPVBQESA-N 1 0 227.333 0.784 10 0 BCAERO [NH3+][C@@H]1CC[C@@H]2CN(Cc3cocn3)C[C@@H]12 ZINC000261592815 135233377 /nfs/dbraw/zinc/23/33/77/135233377.db2.gz WDWOIMVYPQWKNL-FBIMIBRVSA-N 1 0 207.277 0.844 10 0 BCAERO C[C@H](C[NH3+])N(C)C(=O)c1ncncc1Cl ZINC000261593078 135233855 /nfs/dbraw/zinc/23/38/55/135233855.db2.gz WLHQDOJMJVQGSQ-ZCFIWIBFSA-N 1 0 228.683 0.549 10 0 BCAERO CC1(C)CN(C(=O)c2ccon2)CC[C@H]1[NH3+] ZINC000261595480 135235602 /nfs/dbraw/zinc/23/56/02/135235602.db2.gz YFTZYQIDDZSQOT-SECBINFHSA-N 1 0 223.276 0.874 10 0 BCAERO CC(C)NC(=O)CN1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261596149 135236345 /nfs/dbraw/zinc/23/63/45/135236345.db2.gz YNXGIQMLHPGWIZ-HBNTYKKESA-N 1 0 225.336 0.180 10 0 BCAERO [NH3+][C@@H]1CC[C@@H]2CN(Cc3ccon3)C[C@H]12 ZINC000261598090 135237251 /nfs/dbraw/zinc/23/72/51/135237251.db2.gz ZKRLMILRFPJGBV-DVVUODLYSA-N 1 0 207.277 0.844 10 0 BCAERO CC[C@@H](COC)NC(=O)[C@@H]([NH3+])C1CCOCC1 ZINC000261603815 135237386 /nfs/dbraw/zinc/23/73/86/135237386.db2.gz AHNQAOSVJCDTPX-QWRGUYRKSA-N 1 0 244.335 0.282 10 0 BCAERO CC[C@@H](COC)NC(=O)[C@H]([NH3+])C1CCOCC1 ZINC000261603816 135237724 /nfs/dbraw/zinc/23/77/24/135237724.db2.gz AHNQAOSVJCDTPX-WDEREUQCSA-N 1 0 244.335 0.282 10 0 BCAERO COC[C@H](C)C(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000261546351 135238412 /nfs/dbraw/zinc/23/84/12/135238412.db2.gz KWQVYJAOLUPKPC-LPEHRKFASA-N 1 0 214.309 0.465 10 0 BCAERO Cc1ncoc1C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261546252 135238597 /nfs/dbraw/zinc/23/85/97/135238597.db2.gz GTRIUNUMWYLWHL-AEJSXWLSSA-N 1 0 235.287 0.792 10 0 BCAERO C[NH2+][C@@H](C)CNC(=O)CC1CCOCC1 ZINC000261547314 135240542 /nfs/dbraw/zinc/24/05/42/135240542.db2.gz MBSVEBNQXIHDHS-VIFPVBQESA-N 1 0 214.309 0.527 10 0 BCAERO O=C(NC[C@@H]1CC[NH2+]C1)[C@H]1C[C@H]1C1CC1 ZINC000261547775 135241145 /nfs/dbraw/zinc/24/11/45/135241145.db2.gz MSPRQADSRZAWFD-MIMYLULJSA-N 1 0 208.305 0.758 10 0 BCAERO COC[C@@H](C)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000261548107 135241479 /nfs/dbraw/zinc/24/14/79/135241479.db2.gz MZSRVYYINTZQIA-MWLCHTKSSA-N 1 0 214.309 0.466 10 0 BCAERO Cn1nccc1C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261548224 135241905 /nfs/dbraw/zinc/24/19/05/135241905.db2.gz JCWFNBCRPSTQBI-LPEHRKFASA-N 1 0 234.303 0.229 10 0 BCAERO [NH3+][C@H](C(=O)N[C@@H]1CCCOC1)C1CCOCC1 ZINC000261655492 135243791 /nfs/dbraw/zinc/24/37/91/135243791.db2.gz FJAARVRCKPBYOD-MNOVXSKESA-N 1 0 242.319 0.036 10 0 BCAERO [NH3+]C[C@H]1CCC[C@H]1NS(=O)(=O)c1ccco1 ZINC000261620487 135244352 /nfs/dbraw/zinc/24/43/52/135244352.db2.gz BXROSHSIVKHKAJ-RKDXNWHRSA-N 1 0 244.316 0.685 10 0 BCAERO [NH3+][C@@H]1CCC[C@H]1CC(=O)N[C@@H]1CCCOC1 ZINC000261620946 135244739 /nfs/dbraw/zinc/24/47/39/135244739.db2.gz AVWGANROBPDMQQ-HBNTYKKESA-N 1 0 226.320 0.799 10 0 BCAERO C[NH2+][C@@H](C)CNC(=O)C1(CCOC)CCC1 ZINC000261622943 135244755 /nfs/dbraw/zinc/24/47/55/135244755.db2.gz BOARGINTTXSMAJ-JTQLQIEISA-N 1 0 228.336 0.917 10 0 BCAERO c1ncc2c(n1)C[N@H+](CC1CC[NH2+]CC1)CC2 ZINC000261678688 135244831 /nfs/dbraw/zinc/24/48/31/135244831.db2.gz IEIHFHWXDBWTAM-UHFFFAOYSA-N 1 0 232.331 0.834 10 0 BCAERO C[C@@H]([NH3+])C(=O)NC[C@@H](O)c1cccc(Cl)c1 ZINC000261692598 135245922 /nfs/dbraw/zinc/24/59/22/135245922.db2.gz CCPGYGSEGHBVLS-GMSGAONNSA-N 1 0 242.706 0.837 10 0 BCAERO COC(=O)C[C@H](C)NC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000261690974 135246067 /nfs/dbraw/zinc/24/60/67/135246067.db2.gz HQFCGOGHGXXFEW-LPEHRKFASA-N 1 0 242.319 0.572 10 0 BCAERO O=C(NCCCc1ccccc1)C1C[NH2+]C1 ZINC000084409696 135246566 /nfs/dbraw/zinc/24/65/66/135246566.db2.gz JHNGWOZYYQRFLX-UHFFFAOYSA-N 1 0 218.300 0.955 10 0 BCAERO C[C@@H]([NH3+])CC(=O)N1CCC[C@H](n2cccn2)C1 ZINC000261697471 135246976 /nfs/dbraw/zinc/24/69/76/135246976.db2.gz CJRLXMWFQYHHNS-MNOVXSKESA-N 1 0 236.319 0.784 10 0 BCAERO O=C(NCCOc1ccccc1)C1C[NH2+]C1 ZINC000084411363 135247244 /nfs/dbraw/zinc/24/72/44/135247244.db2.gz WBIWJURKPYEYRW-UHFFFAOYSA-N 1 0 220.272 0.401 10 0 BCAERO C[C@@H](NC(=O)C1C[NH2+]C1)c1ccccn1 ZINC000084408881 135247789 /nfs/dbraw/zinc/24/77/89/135247789.db2.gz ACGUOUKFLFKQII-MRVPVSSYSA-N 1 0 205.261 0.478 10 0 BCAERO Cc1ccc([C@H](O)CNC(=O)C[C@@H](C)[NH3+])cc1 ZINC000261734039 135248217 /nfs/dbraw/zinc/24/82/17/135248217.db2.gz GABRGTFTMOFNKT-ZYHUDNBSSA-N 1 0 236.315 0.882 10 0 BCAERO Cc1csc([C@H](C)NC(=O)C2C[NH2+]C2)n1 ZINC000084412570 135248463 /nfs/dbraw/zinc/24/84/63/135248463.db2.gz PWLHGAGLKBRZRP-ZETCQYMHSA-N 1 0 225.317 0.848 10 0 BCAERO C[C@H]1OCCN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])[C@H]1C ZINC000261797700 135253908 /nfs/dbraw/zinc/25/39/08/135253908.db2.gz MKUJGEZIWHFSLP-IRCOFANPSA-N 1 0 240.347 0.997 10 0 BCAERO CC[C@@H]1CCN(C(=O)[C@H]([NH3+])C2CCOCC2)C1 ZINC000261811528 135254620 /nfs/dbraw/zinc/25/46/20/135254620.db2.gz OSZIXIPLSWTTCI-ZYHUDNBSSA-N 1 0 240.347 0.999 10 0 BCAERO C[C@H]1[NH2+]CCN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])[C@H]1C ZINC000261805847 135254667 /nfs/dbraw/zinc/25/46/67/135254667.db2.gz MYZPKGSIKPQSKM-WRWGMCAJSA-N 1 0 239.363 0.570 10 0 BCAERO Cc1nc([C@H]2CN(CC(C)(C)[NH3+])CCO2)no1 ZINC000261822980 135255127 /nfs/dbraw/zinc/25/51/27/135255127.db2.gz ILNIGDCVCLEHCK-SECBINFHSA-N 1 0 240.307 0.489 10 0 BCAERO C[C@@H]1C[C@H]1CNC(=O)[C@H]([NH3+])C1CCOCC1 ZINC000261818358 135255178 /nfs/dbraw/zinc/25/51/78/135255178.db2.gz PGQJHQINKVBEMT-DVVUODLYSA-N 1 0 226.320 0.513 10 0 BCAERO O=C([C@H]1CCC[NH2+]1)N1CCC[C@H](n2cccn2)C1 ZINC000261813065 135255207 /nfs/dbraw/zinc/25/52/07/135255207.db2.gz WZPUAJYMGIOAMH-NWDGAFQWSA-N 1 0 248.330 0.799 10 0 BCAERO C[C@H]([NH3+])CC(=O)NCc1cccc(N(C)C)n1 ZINC000261821726 135255653 /nfs/dbraw/zinc/25/56/53/135255653.db2.gz IFEWNEAUWIAIPL-VIFPVBQESA-N 1 0 236.319 0.501 10 0 BCAERO CCOCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCCN1 ZINC000261871829 135259286 /nfs/dbraw/zinc/25/92/86/135259286.db2.gz DFRNYHFWLAYWSR-YNEHKIRRSA-N 1 0 242.363 0.770 10 0 BCAERO C[C@@H]1CCCN(C(=O)[C@H]([NH3+])C2CCOCC2)C1 ZINC000261881032 135259963 /nfs/dbraw/zinc/25/99/63/135259963.db2.gz UPRGPJDILDHBLU-ZYHUDNBSSA-N 1 0 240.347 0.999 10 0 BCAERO CCO[C@H](C)C(=O)N1CC[C@H](C)C[C@H]1C[NH3+] ZINC000261881575 135260047 /nfs/dbraw/zinc/26/00/47/135260047.db2.gz UDABIIOBSXSNIA-AXFHLTTASA-N 1 0 228.336 0.997 10 0 BCAERO CC1(C)CN(C(=O)COCC2CC2)CC[C@H]1[NH3+] ZINC000261896001 135260746 /nfs/dbraw/zinc/26/07/46/135260746.db2.gz RBKXNLQZHASDBP-LLVKDONJSA-N 1 0 240.347 0.999 10 0 BCAERO COC[C@H](C)CNC(=O)[C@H]([NH3+])C1CCOCC1 ZINC000261904527 135261426 /nfs/dbraw/zinc/26/14/26/135261426.db2.gz WWKSWGMANUQEDH-MWLCHTKSSA-N 1 0 244.335 0.139 10 0 BCAERO C[C@@H]([NH3+])CC(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000261904300 135261727 /nfs/dbraw/zinc/26/17/27/135261727.db2.gz VLFRMQQBTJYCSN-SECBINFHSA-N 1 0 236.319 0.853 10 0 BCAERO CCN(C[C@H]1CCC[NH2+]C1)[C@H]1CCNC1=O ZINC000261910613 135261769 /nfs/dbraw/zinc/26/17/69/135261769.db2.gz ZQUCWXUIMRVGMZ-QWRGUYRKSA-N 1 0 225.336 0.196 10 0 BCAERO CC(C)[C@H](C)NC(=O)[C@H]([NH3+])C1CCOCC1 ZINC000261900660 135261788 /nfs/dbraw/zinc/26/17/88/135261788.db2.gz WMJXKMDIEYKPSY-GXSJLCMTSA-N 1 0 228.336 0.901 10 0 BCAERO C[C@@H]([NH3+])CC(=O)NC[C@H](O)c1ccc(F)cc1 ZINC000261912795 135262555 /nfs/dbraw/zinc/26/25/55/135262555.db2.gz WRCJQGRGONMLCP-KCJUWKMLSA-N 1 0 240.278 0.713 10 0 BCAERO C[C@@H]1CCCN1C(=O)[C@@H]([NH3+])C1CCOCC1 ZINC000262013443 135272275 /nfs/dbraw/zinc/27/22/75/135272275.db2.gz OGDGRUAGJRHEFF-KOLCDFICSA-N 1 0 226.320 0.751 10 0 BCAERO COC(=O)[C@@H](NC[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000262010968 135272393 /nfs/dbraw/zinc/27/23/93/135272393.db2.gz VAQYMIFNUGYSDR-KOLCDFICSA-N 1 0 226.320 0.527 10 0 BCAERO C([C@@H]1CCC[NH2+]C1)N1CCN2CCOC[C@@H]2C1 ZINC000262043094 135275901 /nfs/dbraw/zinc/27/59/01/135275901.db2.gz YPPYIQCWGOVHOB-OLZOCXBDSA-N 1 0 239.363 0.002 10 0 BCAERO CCS(=O)(=O)c1cccc(CNC(N)=[NH2+])c1 ZINC000262054478 135277167 /nfs/dbraw/zinc/27/71/67/135277167.db2.gz ATTWCMMNDBBXJK-UHFFFAOYSA-N 1 0 241.316 0.463 10 0 BCAERO O=C(CCC1CCCC1)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262072796 135277747 /nfs/dbraw/zinc/27/77/47/135277747.db2.gz BVCXYVOLXVSFLS-NEPJUHHUSA-N 1 0 240.347 0.653 10 0 BCAERO O=C(CCC1CCCC1)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000262072800 135277786 /nfs/dbraw/zinc/27/77/86/135277786.db2.gz BVCXYVOLXVSFLS-RYUDHWBXSA-N 1 0 240.347 0.653 10 0 BCAERO Cc1cccc(C(=O)NC[C@@H]2C[NH2+]C[C@H]2O)c1 ZINC000262078598 135277907 /nfs/dbraw/zinc/27/79/07/135277907.db2.gz CGTJRNHCHHFEKA-NWDGAFQWSA-N 1 0 234.299 0.305 10 0 BCAERO C[C@@H]1CCC[C@H]1NC(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000262133900 135280312 /nfs/dbraw/zinc/28/03/12/135280312.db2.gz OIQHWHQHDMAGAF-UTINFBMNSA-N 1 0 212.293 0.014 10 0 BCAERO Cc1ccc(CCN[C@H]2CC[NH2+]C2)nc1 ZINC000262124329 135280818 /nfs/dbraw/zinc/28/08/18/135280818.db2.gz NMJIANORSJWXMV-LBPRGKRZSA-N 1 0 205.305 0.884 10 0 BCAERO Cc1cc(CNC[C@@H]2C[NH2+]C[C@@H]2O)ccc1F ZINC000262143630 135281163 /nfs/dbraw/zinc/28/11/63/135281163.db2.gz PYZLNLAJWQRINO-YPMHNXCESA-N 1 0 238.306 0.804 10 0 BCAERO Cc1cccc(C(=O)NC[C@H]2C[NH2+]C[C@H]2O)c1C ZINC000262140412 135281566 /nfs/dbraw/zinc/28/15/66/135281566.db2.gz HCVUUZSYGAGJOL-DGCLKSJQSA-N 1 0 248.326 0.614 10 0 BCAERO [NH3+][C@@H](C(=O)NC[C@H]1CCCO1)C1CCOCC1 ZINC000262168539 135284005 /nfs/dbraw/zinc/28/40/05/135284005.db2.gz YLFDHPBHVUGDMM-GHMZBOCLSA-N 1 0 242.319 0.036 10 0 BCAERO CC(C)C[C@H](CCO)CNC(=O)C1C[NH2+]C1 ZINC000262237717 135286915 /nfs/dbraw/zinc/28/69/15/135286915.db2.gz NJEKYYYQPQMDKM-JTQLQIEISA-N 1 0 228.336 0.367 10 0 BCAERO COC[C@H]([NH3+])C(=O)N1CCc2ccsc2C1 ZINC000262245969 135287392 /nfs/dbraw/zinc/28/73/92/135287392.db2.gz IENQTTHJBAHSOE-VIFPVBQESA-N 1 0 240.328 0.607 10 0 BCAERO CC[C@H](NC(=O)[C@@H]([NH3+])COC)C1CCOCC1 ZINC000262244024 135287693 /nfs/dbraw/zinc/28/76/93/135287693.db2.gz HZSBJBYJZGPOBZ-QWRGUYRKSA-N 1 0 244.335 0.282 10 0 BCAERO Cc1cc(C(=O)NC[C@H]2C[NH2+]C[C@@H]2O)c(C)o1 ZINC000262253852 135288472 /nfs/dbraw/zinc/28/84/72/135288472.db2.gz LSZBVCCSQCWQTM-KOLCDFICSA-N 1 0 238.287 0.207 10 0 BCAERO O=C(CCC(F)(F)F)NC[C@H]1C[NH2+]C[C@H]1O ZINC000262212388 135290617 /nfs/dbraw/zinc/29/06/17/135290617.db2.gz IXGMWMRWYSPUKT-RNFRBKRXSA-N 1 0 240.225 0.025 10 0 BCAERO O=C(CCC(F)(F)F)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262212390 135290862 /nfs/dbraw/zinc/29/08/62/135290862.db2.gz IXGMWMRWYSPUKT-RQJHMYQMSA-N 1 0 240.225 0.025 10 0 BCAERO CCc1nc(CNC(=O)[C@@H]([NH3+])COC)cs1 ZINC000262304582 135291914 /nfs/dbraw/zinc/29/19/14/135291914.db2.gz XXTHKVZKSPXJIX-QMMMGPOBSA-N 1 0 243.332 0.295 10 0 BCAERO C[C@H](CC(=O)NC[C@H]1C[NH2+]C[C@@H]1O)C(C)(C)C ZINC000262327760 135292794 /nfs/dbraw/zinc/29/27/94/135292794.db2.gz RZXHNWIAGVJKAB-MXWKQRLJSA-N 1 0 242.363 0.755 10 0 BCAERO COC[C@H]([NH3+])C(=O)NCC1(C2CC2)CCC1 ZINC000262329338 135293101 /nfs/dbraw/zinc/29/31/01/135293101.db2.gz RLQZVWRRAHHBPZ-JTQLQIEISA-N 1 0 226.320 0.657 10 0 BCAERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)c1ccc(Cl)o1 ZINC000262329092 135293163 /nfs/dbraw/zinc/29/31/63/135293163.db2.gz SDCLXQAYQZMHKX-NKWVEPMBSA-N 1 0 244.678 0.243 10 0 BCAERO C[C@H](CC(=O)NC[C@@H]1C[NH2+]C[C@@H]1O)C(C)(C)C ZINC000262328893 135293215 /nfs/dbraw/zinc/29/32/15/135293215.db2.gz RZXHNWIAGVJKAB-VWYCJHECSA-N 1 0 242.363 0.755 10 0 BCAERO C[C@@H](C[NH3+])C(=O)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000262330332 135293341 /nfs/dbraw/zinc/29/33/41/135293341.db2.gz GNYWAZRAUIEQKH-VHSXEESVSA-N 1 0 236.319 0.331 10 0 BCAERO C[C@@H](C(=O)NCc1ccc(=O)[nH]c1)C1C[NH2+]C1 ZINC000262343675 135294383 /nfs/dbraw/zinc/29/43/83/135294383.db2.gz IFVPSQCXCXXPAF-MRVPVSSYSA-N 1 0 235.287 0.259 10 0 BCAERO OC[C@H]1C[C@@H](O)C[N@@H+]1Cc1cccnc1 ZINC000342544203 135294494 /nfs/dbraw/zinc/29/44/94/135294494.db2.gz GKSFTOWBTBXJDK-GHMZBOCLSA-N 1 0 208.261 0.009 10 0 BCAERO C[C@@H]1CC[C@H](CC(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)C1 ZINC000262372671 135297721 /nfs/dbraw/zinc/29/77/21/135297721.db2.gz WIHBHPCUYBELKQ-RHYQMDGZSA-N 1 0 240.347 0.509 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N(C)C1CCC(OC)CC1 ZINC000262375688 135298097 /nfs/dbraw/zinc/29/80/97/135298097.db2.gz XEZHMOFLXLJSMX-VQXHTEKXSA-N 1 0 244.335 0.376 10 0 BCAERO C[C@@H]1CC[C@H](CC(=O)NC[C@@H]2C[NH2+]C[C@H]2O)C1 ZINC000262372667 135298100 /nfs/dbraw/zinc/29/81/00/135298100.db2.gz WIHBHPCUYBELKQ-NOOOWODRSA-N 1 0 240.347 0.509 10 0 BCAERO CC(C)[C@@H]1OCC[C@H]1CNC(=O)[C@H](C)C[NH3+] ZINC000262395973 135298650 /nfs/dbraw/zinc/29/86/50/135298650.db2.gz OTVLXYCXJVDUIY-VWYCJHECSA-N 1 0 228.336 0.759 10 0 BCAERO CC1(C)C(C(=O)NC[C@@H]2C[NH2+]C[C@H]2O)C1(C)C ZINC000262398993 135299314 /nfs/dbraw/zinc/29/93/14/135299314.db2.gz YLDYNEQKFLQGMX-DTWKUNHWSA-N 1 0 240.347 0.365 10 0 BCAERO C[C@@H](C[NH3+])C(=O)NCc1cn2c(n1)CCCC2 ZINC000262479154 135301823 /nfs/dbraw/zinc/30/18/23/135301823.db2.gz ZFNSFSNVEHJNTH-VIFPVBQESA-N 1 0 236.319 0.430 10 0 BCAERO C[C@H](C[NH3+])C(=O)NCc1cn2c(n1)CCCC2 ZINC000262479153 135302038 /nfs/dbraw/zinc/30/20/38/135302038.db2.gz ZFNSFSNVEHJNTH-SECBINFHSA-N 1 0 236.319 0.430 10 0 BCAERO CCC[C@@](C)([NH3+])C(=O)N[C@H](CCO)CSC ZINC000262576831 135306340 /nfs/dbraw/zinc/30/63/40/135306340.db2.gz OVNOLSSZVOYHNZ-MWLCHTKSSA-N 1 0 248.392 0.734 10 0 BCAERO [NH3+]CCN1CCC(Cn2cccn2)CC1 ZINC000262737663 135316673 /nfs/dbraw/zinc/31/66/73/135316673.db2.gz CGKPIZKBKSXVHN-UHFFFAOYSA-N 1 0 208.309 0.554 10 0 BCAERO C[NH2+]CC(=O)NCC1([C@@H](C)CCO)CCC1 ZINC000262755970 135316986 /nfs/dbraw/zinc/31/69/86/135316986.db2.gz PJMAMQADABCMFU-JTQLQIEISA-N 1 0 228.336 0.511 10 0 BCAERO c1nnc2c(NC[C@@H]3CCC[NH2+]C3)nccn12 ZINC000079471060 135322220 /nfs/dbraw/zinc/32/22/20/135322220.db2.gz UTZYJFKHKCETBY-SECBINFHSA-N 1 0 232.291 0.536 10 0 BCAERO Cc1nnc2c(NC[C@H]3CCC[NH2+]C3)nccn12 ZINC000079471058 135322658 /nfs/dbraw/zinc/32/26/58/135322658.db2.gz UHPQMKCXUMZOCM-JTQLQIEISA-N 1 0 246.318 0.844 10 0 BCAERO Cc1cc(C)n(C[C@H]2CN(CC[NH3+])CCO2)n1 ZINC000262963200 135324974 /nfs/dbraw/zinc/32/49/74/135324974.db2.gz KXNQRIOGPPFWHH-GFCCVEGCSA-N 1 0 238.335 0.159 10 0 BCAERO Cc1cc(C)n(C[C@@H]2CN(CC[NH3+])CCO2)n1 ZINC000262963202 135324983 /nfs/dbraw/zinc/32/49/83/135324983.db2.gz KXNQRIOGPPFWHH-LBPRGKRZSA-N 1 0 238.335 0.159 10 0 BCAERO Cn1nccc1C1CCN(CC[NH3+])CC1 ZINC000263070064 135330778 /nfs/dbraw/zinc/33/07/78/135330778.db2.gz WKHGDHBAZSDVGJ-UHFFFAOYSA-N 1 0 208.309 0.558 10 0 BCAERO CN1CC[NH2+]C[C@H]1c1noc(-c2cccnc2)n1 ZINC000263137314 135334629 /nfs/dbraw/zinc/33/46/29/135334629.db2.gz CCCIQYAGLMZILO-JTQLQIEISA-N 1 0 245.286 0.708 10 0 BCAERO CC(C)n1nccc1CNC[C@H]1C[NH2+]C[C@H]1O ZINC000263168212 135336916 /nfs/dbraw/zinc/33/69/16/135336916.db2.gz FKSFTOGILZWBRO-CMPLNLGQSA-N 1 0 238.335 0.134 10 0 BCAERO CCOCCc1nc([C@H]2C[NH2+]CCN2C)no1 ZINC000263171266 135337095 /nfs/dbraw/zinc/33/70/95/135337095.db2.gz FSLNJTJOGFKHSH-SECBINFHSA-N 1 0 240.307 0.225 10 0 BCAERO Oc1cccc(CNC[C@@H]2C[NH2+]C[C@H]2O)c1 ZINC000263174470 135337426 /nfs/dbraw/zinc/33/74/26/135337426.db2.gz GARWVZBPYGMWOH-ZYHUDNBSSA-N 1 0 222.288 0.062 10 0 BCAERO CN1CC[NH2+]C[C@@H]1c1noc(-c2ccncc2)n1 ZINC000263202283 135339602 /nfs/dbraw/zinc/33/96/02/135339602.db2.gz JEZIQYHAJZWUES-SNVBAGLBSA-N 1 0 245.286 0.708 10 0 BCAERO Cc1ccncc1CNC[C@@H]1C[NH2+]C[C@H]1O ZINC000263219350 135339799 /nfs/dbraw/zinc/33/97/99/135339799.db2.gz LNIVJASKCUHBEM-VXGBXAGGSA-N 1 0 221.304 0.060 10 0 BCAERO Cc1ccncc1CNC[C@H]1C[NH2+]C[C@@H]1O ZINC000263219349 135339971 /nfs/dbraw/zinc/33/99/71/135339971.db2.gz LNIVJASKCUHBEM-RYUDHWBXSA-N 1 0 221.304 0.060 10 0 BCAERO O[C@H]1C[NH2+]C[C@@H]1CNCc1ccc(F)c(F)c1 ZINC000263225306 135340886 /nfs/dbraw/zinc/34/08/86/135340886.db2.gz MSLMBJAKIOWNRO-CABZTGNLSA-N 1 0 242.269 0.635 10 0 BCAERO Cc1ccc(F)c(CNC[C@@H]2C[NH2+]C[C@H]2O)c1 ZINC000263229875 135341207 /nfs/dbraw/zinc/34/12/07/135341207.db2.gz NIALJYMRLHUUAO-DGCLKSJQSA-N 1 0 238.306 0.804 10 0 BCAERO C[C@H]1CCCC[C@@H]1OCCNC(=O)C1C[NH2+]C1 ZINC000263240464 135341755 /nfs/dbraw/zinc/34/17/55/135341755.db2.gz CCXXBFVXZCRQKC-JQWIXIFHSA-N 1 0 240.347 0.917 10 0 BCAERO O=C(NCc1nc(C2CC2)cs1)C1C[NH2+]C1 ZINC000263251230 135342474 /nfs/dbraw/zinc/34/24/74/135342474.db2.gz DVXYJTPFWQRBFD-UHFFFAOYSA-N 1 0 237.328 0.856 10 0 BCAERO CC(C)C[C@@H]1C[C@H](NC(=O)C2C[NH2+]C2)CCO1 ZINC000263287421 135344488 /nfs/dbraw/zinc/34/44/88/135344488.db2.gz KSUYANXHJLHUDW-VXGBXAGGSA-N 1 0 240.347 0.916 10 0 BCAERO CC(C)[C@@H]1OCCC[C@@H]1CNC(=O)C1C[NH2+]C1 ZINC000263295781 135345374 /nfs/dbraw/zinc/34/53/74/135345374.db2.gz MHUCWBJNDMQWSN-PWSUYJOCSA-N 1 0 240.347 0.773 10 0 BCAERO O=C(NC[C@@H](O)c1cccc(F)c1)C1C[NH2+]C1 ZINC000263308027 135345631 /nfs/dbraw/zinc/34/56/31/135345631.db2.gz OTRQBBTXMZDSFO-LLVKDONJSA-N 1 0 238.262 0.195 10 0 BCAERO CN1CC[NH2+]C[C@H]1c1noc(CCC2CC2)n1 ZINC000263306700 135345658 /nfs/dbraw/zinc/34/56/58/135345658.db2.gz XYTDCLYHSGTKKU-JTQLQIEISA-N 1 0 236.319 0.988 10 0 BCAERO COc1ccc(CCCNC(=O)C2C[NH2+]C2)cc1 ZINC000263319954 135346761 /nfs/dbraw/zinc/34/67/61/135346761.db2.gz RCULQTQHGADCLU-UHFFFAOYSA-N 1 0 248.326 0.963 10 0 BCAERO CCOC(=O)CCCNC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000081524629 135387536 /nfs/dbraw/zinc/38/75/36/135387536.db2.gz JQNBMAYYDUPFFE-NXEZZACHSA-N 1 0 242.319 0.301 10 0 BCAERO COC(=O)[C@@H](C)NC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1[NH3+] ZINC000079533678 135397261 /nfs/dbraw/zinc/39/72/61/135397261.db2.gz WRCGUYAZVVBFFZ-ZJDVBMNYSA-N 1 0 240.303 0.038 10 0 BCAERO C[C@@H]1CCCN(c2nccn3cnnc23)[C@@H]1C[NH3+] ZINC000079471602 135397588 /nfs/dbraw/zinc/39/75/88/135397588.db2.gz FCWIFARMWFSTJJ-NXEZZACHSA-N 1 0 246.318 0.688 10 0 BCAERO C[C@H](CS(C)(=O)=O)[NH2+]CC1CCOCC1 ZINC000081901219 135430329 /nfs/dbraw/zinc/43/03/29/135430329.db2.gz SUQJBMDNGQGDEA-SECBINFHSA-N 1 0 235.349 0.436 10 0 BCAERO [NH3+]C[C@H]1CCC[C@H]1NC(=O)[C@@H]1CSC(=O)N1 ZINC000084212589 135466017 /nfs/dbraw/zinc/46/60/17/135466017.db2.gz DQEOCNVKVFWSGG-PRJMDXOYSA-N 1 0 243.332 0.055 10 0 BCAERO CCOc1cc(NC[C@@H](C)C[NH3+])ncn1 ZINC000085483191 135485067 /nfs/dbraw/zinc/48/50/67/135485067.db2.gz OMCKNISPCVWMNY-QMMMGPOBSA-N 1 0 210.281 0.882 10 0 BCAERO COc1cc(NCC[C@H]2CC[NH2+]C2)ncn1 ZINC000085481356 135485479 /nfs/dbraw/zinc/48/54/79/135485479.db2.gz KSXAPDFUAUZGQR-SECBINFHSA-N 1 0 222.292 0.897 10 0 BCAERO COc1cc(CN[C@H]2CC[NH2+]C2)ccn1 ZINC000086729984 135495571 /nfs/dbraw/zinc/49/55/71/135495571.db2.gz VZONIZYTTXOZLT-JTQLQIEISA-N 1 0 207.277 0.542 10 0 BCAERO C[C@H](C(=O)NC[C@H]1CC[NH2+]C1)n1cccn1 ZINC000087654780 135510713 /nfs/dbraw/zinc/51/07/13/135510713.db2.gz XTVMDJXJLPGBOF-ZJUUUORDSA-N 1 0 222.292 0.170 10 0 BCAERO C[C@@H]1CN(C(=O)[C@H]2CCC[NH2+]C2)[C@@H](C)CO1 ZINC000088032211 135514141 /nfs/dbraw/zinc/51/41/41/135514141.db2.gz ZZVYZVFIMYOXTD-AXFHLTTASA-N 1 0 226.320 0.622 10 0 BCAERO O=C(C[C@@H]1CC[NH2+]C1)NC[C@@H]1CCCC[C@@H]1O ZINC000089748767 135541519 /nfs/dbraw/zinc/54/15/19/135541519.db2.gz AQPCBMHMVINJOX-SRVKXCTJSA-N 1 0 240.347 0.653 10 0 BCAERO C[C@H]([NH3+])CCC(=O)NCC[S@@](=O)C(C)(C)C ZINC000193251504 135588104 /nfs/dbraw/zinc/58/81/04/135588104.db2.gz VYYCBQYBLWXMHB-XXFAHNHDSA-N 1 0 248.392 0.777 10 0 BCAERO O=C(N[C@@H]1CCCC[C@H]1CO)[C@@H]1CCC[NH2+]C1 ZINC000231317150 135592465 /nfs/dbraw/zinc/59/24/65/135592465.db2.gz KFPFLDHQFLWJPG-GRYCIOLGSA-N 1 0 240.347 0.653 10 0 BCAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)Cc1cnn(C)c1 ZINC000193501000 135596912 /nfs/dbraw/zinc/59/69/12/135596912.db2.gz BWKHQHJKYWWEIG-GXSJLCMTSA-N 1 0 236.319 0.219 10 0 BCAERO CN(C(=O)c1ccon1)[C@H]1CCC[NH2+]CC1 ZINC000231486792 135608651 /nfs/dbraw/zinc/60/86/51/135608651.db2.gz YMCHTCSHYYNOHV-VIFPVBQESA-N 1 0 223.276 0.889 10 0 BCAERO CCCNS(=O)(=O)N1CC[C@H](C)C[C@@H]1C[NH3+] ZINC000233092264 135681879 /nfs/dbraw/zinc/68/18/79/135681879.db2.gz MCQJGGJGKYORHM-VHSXEESVSA-N 1 0 249.380 0.290 10 0 BCAERO Cc1c[nH]nc1CN[C@H]1CCC[NH2+][C@@H]1C ZINC000334833873 135817699 /nfs/dbraw/zinc/81/76/99/135817699.db2.gz ULTSWGWRHZPWNB-ZJUUUORDSA-N 1 0 208.309 0.948 10 0 BCAERO Fc1ccc(CN2CCO[C@@H]3C[NH2+]C[C@@H]32)cc1 ZINC000334818040 135832404 /nfs/dbraw/zinc/83/24/04/135832404.db2.gz BCGMYELZBYKPEM-QWHCGFSZSA-N 1 0 236.290 0.998 10 0 BCAERO CC(C)S(=O)(=O)CCC[NH2+][C@@H]1CCO[C@H]1C ZINC000348117672 136032489 /nfs/dbraw/zinc/03/24/89/136032489.db2.gz MXMXZWKYLGZBRA-WDEREUQCSA-N 1 0 249.376 0.967 10 0 BCAERO COC(=O)[C@H](C)C[N@H+](C)CC1(O)CCC1 ZINC000348317411 136068525 /nfs/dbraw/zinc/06/85/25/136068525.db2.gz IQQVCTOVWNTXRB-SECBINFHSA-N 1 0 215.293 0.642 10 0 BCAERO CCC(C)(C)[NH2+]CC(=O)N1CCOCC1 ZINC000020036104 168298042 /nfs/dbraw/zinc/29/80/42/168298042.db2.gz JARBEOGOFACQHR-UHFFFAOYSA-N 1 0 214.309 0.623 10 0 BCAERO C[NH+](C)C[C@H]1CN(CCCCO)CCO1 ZINC000105924101 397786418 /nfs/dbraw/zinc/78/64/18/397786418.db2.gz NPYVPNGOPAFGEG-NSHDSACASA-N 1 0 216.325 0.021 10 0 BCAERO Cn1cccc1C[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000121085566 397935790 /nfs/dbraw/zinc/93/57/90/397935790.db2.gz FIUOWEQXVBHLPA-CQSZACIVSA-N 1 0 249.358 0.932 10 0 BCAERO C[C@H]1CN(C2(C[NH3+])COC2)CCS1 ZINC000575470514 397954580 /nfs/dbraw/zinc/95/45/80/397954580.db2.gz ZMIVWRNQPAEWAC-QMMMGPOBSA-N 1 0 202.323 0.151 10 0 BCAERO CN(C)S(=O)(=O)c1ccc2c(c1)C[NH2+]CC2 ZINC000020397741 397963958 /nfs/dbraw/zinc/96/39/58/397963958.db2.gz GLUYRXISHOQGNW-UHFFFAOYSA-N 1 0 240.328 0.583 10 0 BCAERO C[C@@H]1CSC[C@H]1NC(=O)C1C[NH2+]C1 ZINC000307173927 398003925 /nfs/dbraw/zinc/00/39/25/398003925.db2.gz PPPRJCZWVFBIFA-HTRCEHHLSA-N 1 0 200.307 0.074 10 0 BCAERO CO[C@@]1(C[NH2+]CCn2cc(C)cn2)CCOC1 ZINC000383231310 398012246 /nfs/dbraw/zinc/01/22/46/398012246.db2.gz BJKJCZUGDRBXBF-GFCCVEGCSA-N 1 0 239.319 0.587 10 0 BCAERO CN(CC[NH+](C)C)C(=O)c1ccc(N)cc1 ZINC000036373312 398022033 /nfs/dbraw/zinc/02/20/33/398022033.db2.gz QAZLBEFXKRYWDK-UHFFFAOYSA-N 1 0 221.304 0.902 10 0 BCAERO C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCCCO2)C1 ZINC000122309255 398022045 /nfs/dbraw/zinc/02/20/45/398022045.db2.gz GXNHUXAKBAPQAD-GHMZBOCLSA-N 1 0 226.320 0.718 10 0 BCAERO CCN(C(=O)[C@@H]1C[NH2+]CCOC1)C1CC1 ZINC000643634327 398031374 /nfs/dbraw/zinc/03/13/74/398031374.db2.gz BNDIWVHQFRQSCN-SECBINFHSA-N 1 0 212.293 0.233 10 0 BCAERO O=C(CC[C@@H]1CCC[NH2+]1)N[C@H]1CCC[C@H](O)C1 ZINC000383654673 398034016 /nfs/dbraw/zinc/03/40/16/398034016.db2.gz KDOJLSUXCSGORS-SRVKXCTJSA-N 1 0 240.347 0.938 10 0 BCAERO CN(C[C@H](O)C[NH2+]CC[C@@H]1CCCO1)C1CC1 ZINC000383759326 398036320 /nfs/dbraw/zinc/03/63/20/398036320.db2.gz LECDEZXKLIMUDQ-OLZOCXBDSA-N 1 0 242.363 0.600 10 0 BCAERO CCc1nnc(C[NH2+][C@H](CO)C(C)C)n1C ZINC000184371709 398037538 /nfs/dbraw/zinc/03/75/38/398037538.db2.gz ACATWTAXERQXGE-SECBINFHSA-N 1 0 226.324 0.484 10 0 BCAERO C[C@H]1CCN(C(=O)[C@H]2C[NH2+]CCOC2)C1 ZINC000643657378 398038027 /nfs/dbraw/zinc/03/80/27/398038027.db2.gz LHBLRDGFCNTROP-UWVGGRQHSA-N 1 0 212.293 0.091 10 0 BCAERO C[NH+](C)C1CN(C(=O)[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000382726924 397974372 /nfs/dbraw/zinc/97/43/72/397974372.db2.gz JEGUQLMIVFTKQF-ILWJIGKKSA-N 1 0 208.305 0.805 10 0 BCAERO CS[C@H]1CCCN(C(=O)[C@@H](C)[NH3+])C1 ZINC000307133348 397985122 /nfs/dbraw/zinc/98/51/22/397985122.db2.gz MRUUJVXTLSATJM-SFYZADRCSA-N 1 0 202.323 0.688 10 0 BCAERO CCC[C@H](NC(=O)[C@@H]1CCC[NH2+][C@H]1C)C(N)=O ZINC000384488089 398093322 /nfs/dbraw/zinc/09/33/22/398093322.db2.gz RWYDQZBFOWSJEG-AEJSXWLSSA-N 1 0 241.335 0.145 10 0 BCAERO CCn1ncnc1CN[C@H]1CC[N@H+](CC)C1 ZINC000389310562 398073112 /nfs/dbraw/zinc/07/31/12/398073112.db2.gz DYIHLSTWQXCFMR-JTQLQIEISA-N 1 0 223.324 0.482 10 0 BCAERO CCN1CC[C@@H]([NH2+]C[C@@](C)(O)C(F)(F)F)C1 ZINC000389398874 398080618 /nfs/dbraw/zinc/08/06/18/398080618.db2.gz KGCXOOHDITZTBT-RKDXNWHRSA-N 1 0 240.269 0.984 10 0 BCAERO C[C@H]1[NH2+]CCC[C@H]1C(=O)N(C)Cc1ncc[nH]1 ZINC000384444905 398089567 /nfs/dbraw/zinc/08/95/67/398089567.db2.gz ZYOZNGLCZYDFOH-NXEZZACHSA-N 1 0 236.319 0.756 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N[C@@H]1C[C@H](C)O[C@@H]1C ZINC000384617755 398099617 /nfs/dbraw/zinc/09/96/17/398099617.db2.gz PPDSTKVHMHIQSB-QCLAVDOMSA-N 1 0 214.309 0.796 10 0 BCAERO COC(=O)[C@@H]([NH3+])[C@@H]1CCC[C@H](OC)C1 ZINC000069553370 398114221 /nfs/dbraw/zinc/11/42/21/398114221.db2.gz CDLZCXGMABRRCJ-VGMNWLOBSA-N 1 0 201.266 0.692 10 0 BCAERO CO[C@H](Cn1cc(C(C)(C)[NH3+])nn1)C1CC1 ZINC000400283249 398123329 /nfs/dbraw/zinc/12/33/29/398123329.db2.gz SDFBUTZXRASUKR-SECBINFHSA-N 1 0 224.308 0.897 10 0 BCAERO CC(C)NC(=O)CCN1CC[NH2+]C[C@@H]1C ZINC000054374566 167038388 /nfs/dbraw/zinc/03/83/88/167038388.db2.gz LTMMZMGRYAAFPF-JTQLQIEISA-N 1 0 213.325 0.195 10 0 BCAERO CNC(=O)CN[C@H](C)[C@H]1CCC[N@H+](C)C1 ZINC000037224641 173278142 /nfs/dbraw/zinc/27/81/42/173278142.db2.gz ZMPNSWAFDMOSMO-ZJUUUORDSA-N 1 0 213.325 0.052 10 0 BCAERO C[NH2+]CCC(=O)N[C@@H]1CCCC[C@@H]1O ZINC000052009364 173341181 /nfs/dbraw/zinc/34/11/81/173341181.db2.gz NJGWPRJIFYGUEN-BDAKNGLRSA-N 1 0 200.282 0.016 10 0 BCAERO CNC(=O)[C@H](C)OC1CCC([NH3+])CC1 ZINC000055142896 173304376 /nfs/dbraw/zinc/30/43/76/173304376.db2.gz ZAUOQEHSCGOTMK-UEJVZZJDSA-N 1 0 200.282 0.407 10 0 BCAERO CC(C)NC(=O)CN1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040750350 167053991 /nfs/dbraw/zinc/05/39/91/167053991.db2.gz NBVWKDQXEKUTOL-FGWVZKOKSA-N 1 0 225.336 0.465 10 0 BCAERO CC(C)[NH2+]CCCC(=O)NCc1nncn1C ZINC000038008173 167099982 /nfs/dbraw/zinc/09/99/82/167099982.db2.gz PGQMMLAZQOHHGV-UHFFFAOYSA-N 1 0 239.323 0.210 10 0 BCAERO CC(C)[NH2+]CCCC(=O)NCC(=O)NC1CC1 ZINC000037633232 167100390 /nfs/dbraw/zinc/10/03/90/167100390.db2.gz VFUFVIXRSZZWGJ-UHFFFAOYSA-N 1 0 241.335 0.159 10 0 BCAERO CC(C)[NH2+]C[C@H](O)COc1ccncc1 ZINC000095560249 167114856 /nfs/dbraw/zinc/11/48/56/167114856.db2.gz DUGVYNWQMLQORK-JTQLQIEISA-N 1 0 210.277 0.819 10 0 BCAERO CC(C)[NH2+]Cc1nnc(-c2cc[nH]n2)o1 ZINC000062780038 167123983 /nfs/dbraw/zinc/12/39/83/167123983.db2.gz AMYHUPKFUXVBNH-UHFFFAOYSA-N 1 0 207.237 0.958 10 0 BCAERO CC(C)[NH2+][C@@H](CCOC[C@H]1CCCO1)C(N)=O ZINC000062543550 167132032 /nfs/dbraw/zinc/13/20/32/167132032.db2.gz IZUMWSBJFVWOJB-MNOVXSKESA-N 1 0 244.335 0.424 10 0 BCAERO C[C@H]1NC(=O)CC[C@@H]1[NH2+]CCc1ccnn1C ZINC000392930715 487558186 /nfs/dbraw/zinc/55/81/86/487558186.db2.gz KDKONCJYEHQDIJ-KOLCDFICSA-N 1 0 236.319 0.219 10 0 BCAERO CCCCOC[C@H](O)C[NH2+]C[C@H]1CCCO1 ZINC000227888024 487561503 /nfs/dbraw/zinc/56/15/03/487561503.db2.gz RMRZZXPGUJQPRI-VXGBXAGGSA-N 1 0 231.336 0.933 10 0 BCAERO CCCCOC[C@@H](O)C[NH2+]C[C@@H]1CCCO1 ZINC000227888005 487561413 /nfs/dbraw/zinc/56/14/13/487561413.db2.gz RMRZZXPGUJQPRI-RYUDHWBXSA-N 1 0 231.336 0.933 10 0 BCAERO CCCCOC[C@H](O)C[NH2+]C[C@@H]1CCC[C@@H]1O ZINC000227893856 487562654 /nfs/dbraw/zinc/56/26/54/487562654.db2.gz RZHFCQGZEYLYGT-XQQFMLRXSA-N 1 0 245.363 0.915 10 0 BCAERO COC[C@H](C)C(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000261868121 487565946 /nfs/dbraw/zinc/56/59/46/487565946.db2.gz SBTLHQDTPGIEKT-VWYCJHECSA-N 1 0 228.336 0.855 10 0 BCAERO [NH3+]C1(CC(=O)N[C@H]2CCC[C@@H](O)C2)CCC1 ZINC000086853317 487566626 /nfs/dbraw/zinc/56/66/26/487566626.db2.gz CFINGGMPBCMMES-VHSXEESVSA-N 1 0 226.320 0.678 10 0 BCAERO COCC[NH2+][C@@H](CO)c1cccc(OC)c1 ZINC000053291907 487568686 /nfs/dbraw/zinc/56/86/86/487568686.db2.gz LVJFXCRUHCGBPG-LBPRGKRZSA-N 1 0 225.288 0.965 10 0 BCAERO COC(=O)CC[N@@H+]1CCC[C@H]1CCCO ZINC000052760836 487568761 /nfs/dbraw/zinc/56/87/61/487568761.db2.gz ITIVEUYMGSXVSW-JTQLQIEISA-N 1 0 215.293 0.786 10 0 BCAERO C[C@@H](NC(=O)CC1([NH3+])CCC1)[C@@H]1CCCO1 ZINC000086853253 487570127 /nfs/dbraw/zinc/57/01/27/487570127.db2.gz JKIPAEQGWWYACG-ZJUUUORDSA-N 1 0 226.320 0.942 10 0 BCAERO O=C(NC1CC1)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000393277928 487570245 /nfs/dbraw/zinc/57/02/45/487570245.db2.gz NXTSRHVOEFMZKT-RNFRBKRXSA-N 1 0 222.210 0.663 10 0 BCAERO CC(C)OC[C@@H](O)C[NH2+]C[C@H](O)C(C)(C)C ZINC000324301094 487570402 /nfs/dbraw/zinc/57/04/02/487570402.db2.gz CXLWFGXDNUIKCF-QWRGUYRKSA-N 1 0 233.352 0.769 10 0 BCAERO COC[C@H](C)C(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000246169484 487575417 /nfs/dbraw/zinc/57/54/17/487575417.db2.gz AYKKNFWHBDYZDY-LPEHRKFASA-N 1 0 214.309 0.513 10 0 BCAERO CC(C)(C)[C@H](O)CNC(=O)CC[NH2+]C1CC1 ZINC000324369758 487584122 /nfs/dbraw/zinc/58/41/22/487584122.db2.gz TUQJZGVLDMRXJX-SNVBAGLBSA-N 1 0 228.336 0.652 10 0 BCAERO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCNC2=O)CS1 ZINC000086935774 487585906 /nfs/dbraw/zinc/58/59/06/487585906.db2.gz KQORZMYVGKXHNR-HRDYMLBCSA-N 1 0 214.334 0.749 10 0 BCAERO O[C@@H]1CCC[C@H]1N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000086933127 487588853 /nfs/dbraw/zinc/58/88/53/487588853.db2.gz WTVFJAAJPIOBLR-IJLUTSLNSA-N 1 0 210.321 0.680 10 0 BCAERO CC(C)OC[C@H](O)C[NH2+][C@@H]1CCN2CCC[C@H]12 ZINC000049567590 167268858 /nfs/dbraw/zinc/26/88/58/167268858.db2.gz HRMLDKKMDHXLBH-JHJVBQTASA-N 1 0 242.363 0.599 10 0 BCAERO CC(C)OC[C@H](O)C[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000037889857 167269889 /nfs/dbraw/zinc/26/98/89/167269889.db2.gz UYPZZEDKLOIGMM-UTUOFQBUSA-N 1 0 231.336 0.929 10 0 BCAERO c1ccc2[nH]c(NC[C@@H]3COCC[NH2+]3)nc2c1 ZINC000232450882 487595236 /nfs/dbraw/zinc/59/52/36/487595236.db2.gz NTYDTFXMVAMAGR-SECBINFHSA-N 1 0 232.287 0.963 10 0 BCAERO C(Nc1nc(C2CC2)ns1)[C@@H]1COCC[NH2+]1 ZINC000232450865 487595270 /nfs/dbraw/zinc/59/52/70/487595270.db2.gz CXZMQCBVRPPHHV-MRVPVSSYSA-N 1 0 240.332 0.816 10 0 BCAERO COC[C@@H](C)[NH2+]CC(=O)NCC1CCC1 ZINC000308954925 487596727 /nfs/dbraw/zinc/59/67/27/487596727.db2.gz QGPCDVGXRSAIRS-SECBINFHSA-N 1 0 214.309 0.527 10 0 BCAERO CC(C)(C)CCS(=O)(=O)NC[C@@H]1CC[NH2+]C1 ZINC000232507941 487599261 /nfs/dbraw/zinc/59/92/61/487599261.db2.gz ATORECQCEWXXMY-SNVBAGLBSA-N 1 0 248.392 0.952 10 0 BCAERO CC(C)S(=O)(=O)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000037657684 167319173 /nfs/dbraw/zinc/31/91/73/167319173.db2.gz VYCTXCZJGHTHDA-JTQLQIEISA-N 1 0 246.376 0.989 10 0 BCAERO CC(C)S(=O)(=O)N[C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000037657540 167319366 /nfs/dbraw/zinc/31/93/66/167319366.db2.gz DENWBPVPHZDIQK-UWVGGRQHSA-N 1 0 234.365 0.845 10 0 BCAERO CC(C)S(=O)(=O)N[C@H]1CCCC[C@@H]1[NH3+] ZINC000038050213 167319032 /nfs/dbraw/zinc/31/90/32/167319032.db2.gz XBSJDXJRTCNIKH-IUCAKERBSA-N 1 0 220.338 0.584 10 0 BCAERO CC(C)S(=O)(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000061884135 167319604 /nfs/dbraw/zinc/31/96/04/167319604.db2.gz KAVCAMYCBYGSLK-IUCAKERBSA-N 1 0 220.338 0.442 10 0 BCAERO CC(C)S(=O)(=O)N1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000051359273 167319614 /nfs/dbraw/zinc/31/96/14/167319614.db2.gz RNJYUDDQKGCJEY-WDEREUQCSA-N 1 0 246.376 0.941 10 0 BCAERO C[NH2+][C@H](C)C(=O)N[C@H]1CCS[C@H]1C ZINC000306223860 487607702 /nfs/dbraw/zinc/60/77/02/487607702.db2.gz ZXFKNKKURVLWCB-CSMHCCOUSA-N 1 0 202.323 0.605 10 0 BCAERO CC(C)[C@@H]([NH3+])CC(=O)N[C@H](C)c1ncon1 ZINC000398018795 409653616 /nfs/dbraw/zinc/65/36/16/409653616.db2.gz SVOMYZWYJAPJMU-SFYZADRCSA-N 1 0 226.280 0.620 10 0 BCAERO OC1CC[NH+](C[C@@H]2CCC[C@@H](O)C2)CC1 ZINC000308817712 409905454 /nfs/dbraw/zinc/90/54/54/409905454.db2.gz BLCJYZPYWMXIIV-ZYHUDNBSSA-N 1 0 213.321 0.994 10 0 BCAERO CCCC(CCC)C(=O)NC[C@H]1C[NH2+]C[C@H]1O ZINC000653138981 409861250 /nfs/dbraw/zinc/86/12/50/409861250.db2.gz PSZJJVXQHWLEDO-VXGBXAGGSA-N 1 0 242.363 0.899 10 0 BCAERO COC[C@@H](NC(=O)C1([NH3+])CCOCC1)C(C)C ZINC000127985831 409900718 /nfs/dbraw/zinc/90/07/18/409900718.db2.gz CYZXONKMWDSGRT-SNVBAGLBSA-N 1 0 244.335 0.282 10 0 BCAERO COC[C@H]([NH3+])C(=O)NC1CC2(CCC2)C1 ZINC000662907366 409976955 /nfs/dbraw/zinc/97/69/55/409976955.db2.gz UAHMWDQSFLNXHX-VIFPVBQESA-N 1 0 212.293 0.409 10 0 BCAERO CN1CCO[C@H](C[N@H+](C)CCC2(O)CCC2)C1 ZINC000662801317 409928816 /nfs/dbraw/zinc/92/88/16/409928816.db2.gz JMIZQUSZSQZDOU-GFCCVEGCSA-N 1 0 242.363 0.554 10 0 BCAERO CC(C)CCNC(=O)[C@@H](C)n1cc(C[NH3+])nn1 ZINC000050224676 409931147 /nfs/dbraw/zinc/93/11/47/409931147.db2.gz JDNGYDZLCQVIGJ-SECBINFHSA-N 1 0 239.323 0.460 10 0 BCAERO OCC[N@H+](C[C@H]1CCC[C@H](O)C1)C1CC1 ZINC000308925166 409938425 /nfs/dbraw/zinc/93/84/25/409938425.db2.gz PWQYEYADYQUGNF-JQWIXIFHSA-N 1 0 213.321 0.994 10 0 BCAERO CO[C@@H]1CCCN(C(=O)[C@H]2C[C@H](F)C[NH2+]2)CC1 ZINC000662836263 409945372 /nfs/dbraw/zinc/94/53/72/409945372.db2.gz XQQOGNYPGQDNPJ-HBNTYKKESA-N 1 0 244.310 0.714 10 0 BCAERO CC(C)[C@@H]([NH3+])CC(=O)Nc1ccn(C)n1 ZINC000128946358 410084016 /nfs/dbraw/zinc/08/40/16/410084016.db2.gz VYLTYJBSWSLJJL-QMMMGPOBSA-N 1 0 210.281 0.732 10 0 BCAERO CCO[C@@H]1CN(C(=O)C2CC(C)C2)C[C@H]1C[NH3+] ZINC000653246235 410194841 /nfs/dbraw/zinc/19/48/41/410194841.db2.gz FGNNCMODXFVVIK-KIDURHIOSA-N 1 0 240.347 0.855 10 0 BCAERO C[C@@H](NC(=O)[C@H]1C[NH2+]CCOC1)C(C)(C)C ZINC000653257320 410240202 /nfs/dbraw/zinc/24/02/02/410240202.db2.gz GLIITANLYOHFBK-ZJUUUORDSA-N 1 0 228.336 0.773 10 0 BCAERO C[NH2+][C@H](C)C(=O)N1CCC[C@H]1COC ZINC000655441280 410263311 /nfs/dbraw/zinc/26/33/11/410263311.db2.gz GWTMGDFZJNICQR-BDAKNGLRSA-N 1 0 200.282 0.232 10 0 BCAERO Cc1c(C(=O)N2CC[C@@H]([NH3+])[C@H]2C)cnn1C ZINC000309177225 410268071 /nfs/dbraw/zinc/26/80/71/410268071.db2.gz DHXAOGDJMFVWGN-PSASIEDQSA-N 1 0 222.292 0.290 10 0 BCAERO C[C@H]1CN(C(=O)C2([NH3+])CCOCC2)[C@@H](C)CO1 ZINC000127751676 410337777 /nfs/dbraw/zinc/33/77/77/410337777.db2.gz IIDAPZANCSVGQH-UWVGGRQHSA-N 1 0 242.319 0.130 10 0 BCAERO CC(C)C[C@@H]([NH3+])C(=O)NCCc1cnn(C)c1 ZINC000128120303 410342115 /nfs/dbraw/zinc/34/21/15/410342115.db2.gz BXEMALDSGYDSNH-LLVKDONJSA-N 1 0 238.335 0.452 10 0 BCAERO COCCOCCn1cc(C(C)(C)[NH3+])nn1 ZINC000070029840 410316858 /nfs/dbraw/zinc/31/68/58/410316858.db2.gz ATWPOQGDZHZWJX-UHFFFAOYSA-N 1 0 228.296 0.135 10 0 BCAERO CC1(CNC(=O)[C@@]2(C)CCC[NH2+]2)COC1 ZINC000087197728 487615552 /nfs/dbraw/zinc/61/55/52/487615552.db2.gz LOUFZWPXESAEOS-LLVKDONJSA-N 1 0 212.293 0.281 10 0 BCAERO CCN(CC)C(=O)CCC(=O)NCCCC[NH3+] ZINC000237006343 169744681 /nfs/dbraw/zinc/74/46/81/169744681.db2.gz AKOOFRUGYAKKQU-UHFFFAOYSA-N 1 0 243.351 0.490 10 0 BCAERO CCN(CC)C(=O)c1cc(NCC[NH3+])ccn1 ZINC000021948940 169760017 /nfs/dbraw/zinc/76/00/17/169760017.db2.gz FHJURFRFXQHTOV-UHFFFAOYSA-N 1 0 236.319 0.934 10 0 BCAERO CC(C)(C)OC(=O)NC[C@@H](O)[C@@H]1CCC[NH2+]C1 ZINC000076688679 166662200 /nfs/dbraw/zinc/66/22/00/166662200.db2.gz CKLJOPJIMWDBAP-NXEZZACHSA-N 1 0 244.335 0.872 10 0 BCAERO CC(C)(C)[C@H](O)C[NH2+]CC1(CO)CC1 ZINC000393653993 410753040 /nfs/dbraw/zinc/75/30/40/410753040.db2.gz CTEFUTWPGBZMKL-SECBINFHSA-N 1 0 201.310 0.756 10 0 BCAERO FC1(CN2CC[C@H]3OCC[NH2+][C@H]3C2)CC1 ZINC000393795074 410761250 /nfs/dbraw/zinc/76/12/50/410761250.db2.gz OMHFXVMFJGPRPG-VHSXEESVSA-N 1 0 214.284 0.551 10 0 BCAERO CC(C)CCN(C(=O)[C@@H]1C[C@@H](O)C[NH2+]1)C1CC1 ZINC000037807039 166830594 /nfs/dbraw/zinc/83/05/94/166830594.db2.gz WRHDXANGWLGITR-NEPJUHHUSA-N 1 0 240.347 0.746 10 0 BCAERO CC(C)CCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C)C1 ZINC000042547170 166853541 /nfs/dbraw/zinc/85/35/41/166853541.db2.gz FHVMNHVXNOPXPV-RYUDHWBXSA-N 1 0 241.379 0.831 10 0 BCAERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)NCC1(CO)CC1 ZINC000395244090 410843514 /nfs/dbraw/zinc/84/35/14/410843514.db2.gz IZUUNZGYLRYYMI-VHSXEESVSA-N 1 0 226.320 0.263 10 0 BCAERO Cc1cc(CNC(=O)[C@H]2CCC[NH2+][C@@H]2C)no1 ZINC000395317988 410843611 /nfs/dbraw/zinc/84/36/11/410843611.db2.gz ZJTOLLYPOORAFZ-KOLCDFICSA-N 1 0 237.303 0.987 10 0 BCAERO C[C@@H]1CC[N@H+](C[C@@H]2CCCN2C)[C@@H]1CO ZINC000395313766 410845557 /nfs/dbraw/zinc/84/55/57/410845557.db2.gz BVIZQOOFNBUZOG-GRYCIOLGSA-N 1 0 212.337 0.783 10 0 BCAERO Cn1ccnc(NCCC2(C[NH3+])CC2)c1=O ZINC000395906601 410865736 /nfs/dbraw/zinc/86/57/36/410865736.db2.gz MEKPFTZPXYHWIO-UHFFFAOYSA-N 1 0 222.292 0.321 10 0 BCAERO C[C@H]([NH2+]CC[C@H]1CCNC1=O)[C@H]1CCCO1 ZINC000395958549 410867964 /nfs/dbraw/zinc/86/79/64/410867964.db2.gz IBHXQSFEMIGSQZ-GARJFASQSA-N 1 0 226.320 0.670 10 0 BCAERO CC(C)C[C@H]([NH3+])C(=O)N[C@@H]1CCC[C@@H](O)C1 ZINC000040462101 410873755 /nfs/dbraw/zinc/87/37/55/410873755.db2.gz XAKHLWNNBCWYLO-MXWKQRLJSA-N 1 0 228.336 0.780 10 0 BCAERO CC(C)([NH3+])C(=O)NCC[C@@H]1CCCO1 ZINC000040924359 410898135 /nfs/dbraw/zinc/89/81/35/410898135.db2.gz ZVBUDBSIFQEFMF-QMMMGPOBSA-N 1 0 200.282 0.409 10 0 BCAERO CC(C)C[NH2+][C@]1(C)CCS(=O)(=O)C1 ZINC000036944404 167015772 /nfs/dbraw/zinc/01/57/72/167015772.db2.gz XYGNLAKPRFCEFE-SECBINFHSA-N 1 0 205.323 0.809 10 0 BCAERO CC(C)NC(=O)CN1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000224843349 167054764 /nfs/dbraw/zinc/05/47/64/167054764.db2.gz BGPFBHJMNGPLFW-GHMZBOCLSA-N 1 0 227.352 0.570 10 0 BCAERO CC(C)NC(=O)N(Cc1cccnc1)C1C[NH2+]C1 ZINC000169676324 167068487 /nfs/dbraw/zinc/06/84/87/167068487.db2.gz XLYMFWATJNSAQN-UHFFFAOYSA-N 1 0 248.330 0.973 10 0 BCAERO CC(C)NC(=O)[C@@H](C)[NH2+]C[C@@H]1CCCOC1 ZINC000038045796 167079287 /nfs/dbraw/zinc/07/92/87/167079287.db2.gz NMRHCUNJUTXTPI-MNOVXSKESA-N 1 0 228.336 0.916 10 0 BCAERO CC(C)[NH2+]CC(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000037394779 167096730 /nfs/dbraw/zinc/09/67/30/167096730.db2.gz SMJDVYPJXMVZIY-UWVGGRQHSA-N 1 0 214.309 0.620 10 0 BCAERO CC(C)[NH2+]CC(=O)N[C@H]1CCC[C@H](O)C1 ZINC000037477211 167097082 /nfs/dbraw/zinc/09/70/82/167097082.db2.gz KAXZREHAKRCUDX-UWVGGRQHSA-N 1 0 214.309 0.404 10 0 BCAERO CC(C)[NH2+]C[C@@H](O)COc1ccccc1CO ZINC000028763962 167110301 /nfs/dbraw/zinc/11/03/01/167110301.db2.gz WGJVNJGGPWONPI-GFCCVEGCSA-N 1 0 239.315 0.917 10 0 BCAERO CC(C)[NH2+]C[C@@H](O)CN1CCCCC1 ZINC000036950452 167111418 /nfs/dbraw/zinc/11/14/18/167111418.db2.gz YHAPTKRSURTVKN-LLVKDONJSA-N 1 0 200.326 0.831 10 0 BCAERO Cc1nccc(C(=O)N2CC[C@@H]([NH3+])[C@@H]2C)n1 ZINC000396899609 410905358 /nfs/dbraw/zinc/90/53/58/410905358.db2.gz WNSLXJDDDZEZSA-IONNQARKSA-N 1 0 220.276 0.347 10 0 BCAERO CC(C)[NH2+]Cc1ccc(-n2cncn2)nn1 ZINC000051489718 167118579 /nfs/dbraw/zinc/11/85/79/167118579.db2.gz YMELOCNAEUPVON-UHFFFAOYSA-N 1 0 218.264 0.555 10 0 BCAERO Cc1nccc(C(=O)N2CC[C@H]([NH3+])[C@H]2C)n1 ZINC000396899607 410906192 /nfs/dbraw/zinc/90/61/92/410906192.db2.gz WNSLXJDDDZEZSA-APPZFPTMSA-N 1 0 220.276 0.347 10 0 BCAERO CC(C)[NH2+][C@@H](CN1CC[N@H+](C)[C@@H](C)C1)C(=O)[O-] ZINC000104138620 167131901 /nfs/dbraw/zinc/13/19/01/167131901.db2.gz GDNHZJGISWIXBV-QWRGUYRKSA-N 1 0 243.351 0.074 10 0 BCAERO Cc1nccc(C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)n1 ZINC000396935778 410906474 /nfs/dbraw/zinc/90/64/74/410906474.db2.gz QTGLDCMISRRYAL-AXFHLTTASA-N 1 0 246.314 0.594 10 0 BCAERO CC(C)[NH2+][C@@H]1CCC(=O)N[C@H]1[C@H]1CCCO1 ZINC000377739420 167134971 /nfs/dbraw/zinc/13/49/71/167134971.db2.gz HGPYWIONDKRHCQ-CKYFFXLPSA-N 1 0 226.320 0.811 10 0 BCAERO CC(C)[NH2+][C@H](CCOC[C@H]1CCCO1)C(N)=O ZINC000062543552 167138673 /nfs/dbraw/zinc/13/86/73/167138673.db2.gz IZUMWSBJFVWOJB-GHMZBOCLSA-N 1 0 244.335 0.424 10 0 BCAERO CC(C)Nc1nc[nH+]c(NN(C)C)c1N ZINC000040708125 167150978 /nfs/dbraw/zinc/15/09/78/167150978.db2.gz UTTYNNANCHBGGZ-UHFFFAOYSA-N 1 0 210.285 0.768 10 0 BCAERO CC(C)OC(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000044239682 167164315 /nfs/dbraw/zinc/16/43/15/167164315.db2.gz RQEPULBHCLZNDJ-QMMMGPOBSA-N 1 0 202.254 0.191 10 0 BCAERO CC(C)OCC(=O)N1C[C@H](C)[C@H]([NH+](C)C)C1 ZINC000122666591 167184868 /nfs/dbraw/zinc/18/48/68/167184868.db2.gz IBNRQFUAXODOCW-WDEREUQCSA-N 1 0 228.336 0.820 10 0 BCAERO CC(C)OCC(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000162579483 167189265 /nfs/dbraw/zinc/18/92/65/167189265.db2.gz KLOZTACUYRIVKF-NXEZZACHSA-N 1 0 214.309 0.655 10 0 BCAERO CC(C)OCCC(=O)N1CCC[C@@H]1C[NH3+] ZINC000236787106 167194929 /nfs/dbraw/zinc/19/49/29/167194929.db2.gz ILLPHYRBVZDWLT-SNVBAGLBSA-N 1 0 214.309 0.751 10 0 BCAERO CC(C)OCCN1CCO[C@H](C[NH+](C)C)C1 ZINC000105927419 167235523 /nfs/dbraw/zinc/23/55/23/167235523.db2.gz WARNEXMYJSEEKX-GFCCVEGCSA-N 1 0 230.352 0.674 10 0 BCAERO CC(C)OC[C@H](O)C[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000037889855 167268998 /nfs/dbraw/zinc/26/89/98/167268998.db2.gz UYPZZEDKLOIGMM-TUAOUCFPSA-N 1 0 231.336 0.929 10 0 BCAERO CC(C)Oc1ccc([C@@H](O)[C@H]([NH3+])CO)cc1 ZINC000077338495 167298338 /nfs/dbraw/zinc/29/83/38/167298338.db2.gz JUHJYXUEHDXHSE-VXGBXAGGSA-N 1 0 225.288 0.827 10 0 BCAERO CC(C)[C@@H](C)NC(=O)CN1CCC[C@H]1C[NH3+] ZINC000251337461 167373055 /nfs/dbraw/zinc/37/30/55/167373055.db2.gz PMKHMCOTWBFSOQ-MNOVXSKESA-N 1 0 227.352 0.570 10 0 BCAERO CC(C)[C@@H](C)[NH2+]CCn1c(=O)ccn(C)c1=O ZINC000104287179 167381827 /nfs/dbraw/zinc/38/18/27/167381827.db2.gz FMAUUNGDPJEKOK-SNVBAGLBSA-N 1 0 239.319 0.181 10 0 BCAERO CC(C)[C@@H](C)NS(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000020523628 167384527 /nfs/dbraw/zinc/38/45/27/167384527.db2.gz RVDZFDUOBISVQP-ZJUUUORDSA-N 1 0 234.365 0.702 10 0 BCAERO CC(C)[C@@H](C[NH3+])C(=O)N1CCC(O)CC1 ZINC000044793269 167394351 /nfs/dbraw/zinc/39/43/51/167394351.db2.gz LFBNTOPQKCAYQB-SNVBAGLBSA-N 1 0 214.309 0.201 10 0 BCAERO CC(C)[C@@H](C[NH3+])C(=O)Nc1ncccc1O ZINC000129429285 167396523 /nfs/dbraw/zinc/39/65/23/167396523.db2.gz XAMWZSFDYVXMNN-MRVPVSSYSA-N 1 0 223.276 0.957 10 0 BCAERO CC(C)[C@@H](C[NH3+])CC(=O)NC[C@@H]1CCCO1 ZINC000076613136 167397565 /nfs/dbraw/zinc/39/75/65/167397565.db2.gz YBZPXRKKYPBOQX-MNOVXSKESA-N 1 0 228.336 0.903 10 0 BCAERO Cc1cnc(C(=O)N2CC[C@H]([NH3+])[C@H]2C)cn1 ZINC000309309121 410921845 /nfs/dbraw/zinc/92/18/45/410921845.db2.gz NTZYHPHCVMOXKT-BDAKNGLRSA-N 1 0 220.276 0.347 10 0 BCAERO CC(C)[C@@H]([NH3+])C(=O)N1CCC[C@@H](CO)C1 ZINC000036227463 167413978 /nfs/dbraw/zinc/41/39/78/167413978.db2.gz SKOYSWQEGRGKJG-NXEZZACHSA-N 1 0 214.309 0.201 10 0 BCAERO O=C(C[C@@H]1CCC[NH2+]1)N[C@@H]1CCC[C@@H](O)C1 ZINC000042166357 410972313 /nfs/dbraw/zinc/97/23/13/410972313.db2.gz IERXHMZNXKOFGF-HBNTYKKESA-N 1 0 226.320 0.548 10 0 BCAERO C[C@H](CO)C[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000398738210 410985048 /nfs/dbraw/zinc/98/50/48/410985048.db2.gz FJFIHOUFSNOBPC-NNYUYHANSA-N 1 0 213.321 0.708 10 0 BCAERO CN(C[C@@H]1CCOC1)C(=O)C1CCC([NH3+])CC1 ZINC000398853831 410992702 /nfs/dbraw/zinc/99/27/02/410992702.db2.gz SMTYMPIEHHALFL-UNXYVOJBSA-N 1 0 240.347 0.999 10 0 BCAERO [NH3+][C@H](C(=O)N[C@@H]1CCC[C@H](O)C1)C1CCC1 ZINC000398982487 411005688 /nfs/dbraw/zinc/00/56/88/411005688.db2.gz GPLMQEBOZXUDKV-VWYCJHECSA-N 1 0 226.320 0.534 10 0 BCAERO Cc1ocnc1CNC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000398126269 410944167 /nfs/dbraw/zinc/94/41/67/410944167.db2.gz YYIFBVSPFQRKDP-UWVGGRQHSA-N 1 0 237.303 0.974 10 0 BCAERO CCNC(=O)C(C)(C)[NH2+]C[C@@H]1CCCN1C ZINC000313096110 411050527 /nfs/dbraw/zinc/05/05/27/411050527.db2.gz KXSLXTAERPOQIV-JTQLQIEISA-N 1 0 227.352 0.585 10 0 BCAERO CC(C)[C@H](C(=O)N[C@@H]1CCCNC1=O)[C@H](C)[NH3+] ZINC000399667328 411055172 /nfs/dbraw/zinc/05/51/72/411055172.db2.gz RGMHONJINZTFOP-AEJSXWLSSA-N 1 0 241.335 0.001 10 0 BCAERO C[NH2+]C[C@@H]1C[C@H](F)CN1c1nc(C)ns1 ZINC000399764677 411062966 /nfs/dbraw/zinc/06/29/66/411062966.db2.gz VCKJUYGAHMQNOM-YUMQZZPRSA-N 1 0 230.312 0.983 10 0 BCAERO C[C@H]1C[NH+]([C@@H]2CCC[C@H]2O)C[C@H](C)C1O ZINC000661620626 411068945 /nfs/dbraw/zinc/06/89/45/411068945.db2.gz KKXOGIFXCLPXRM-UKKRHICBSA-N 1 0 213.321 0.849 10 0 BCAERO CC1(C(=O)N[C@@H]2CCC[C@@H](O)C2)C[NH2+]C1 ZINC000399285972 411031704 /nfs/dbraw/zinc/03/17/04/411031704.db2.gz KQCQOXJQHKVABS-RKDXNWHRSA-N 1 0 212.293 0.016 10 0 BCAERO C[C@H]1CN(c2ncnc3c2CCC3)CC[NH2+]1 ZINC000061276432 411155950 /nfs/dbraw/zinc/15/59/50/411155950.db2.gz CADNXGHTXAHALY-VIFPVBQESA-N 1 0 218.304 0.763 10 0 BCAERO [NH3+]CCCCC(=O)N[C@@H]1CCC[C@@H](O)C1 ZINC000069733220 411159411 /nfs/dbraw/zinc/15/94/11/411159411.db2.gz XKMODSFXNFETEF-NXEZZACHSA-N 1 0 214.309 0.535 10 0 BCAERO COC[C@H](C)OC[C@H](O)C[NH2+][C@@H]1CCO[C@H]1C ZINC000300261753 411117235 /nfs/dbraw/zinc/11/72/35/411117235.db2.gz PDVZJWKEPXSADC-NNYUYHANSA-N 1 0 247.335 0.166 10 0 BCAERO O=c1[nH]c(C[N@H+]2CC[C@@H](CO)C2)cs1 ZINC000231715897 411185138 /nfs/dbraw/zinc/18/51/38/411185138.db2.gz XSSYYJVVOYAQLT-SSDOTTSWSA-N 1 0 214.290 0.251 10 0 BCAERO CC[C@@H]1CN(C(=O)C[C@H]([NH3+])C(C)C)CCO1 ZINC000128926656 411189415 /nfs/dbraw/zinc/18/94/15/411189415.db2.gz SZDAIUZLSPJFTF-MNOVXSKESA-N 1 0 228.336 0.997 10 0 BCAERO O=S1CCC(NC2=[NH+]CCCS2)CC1 ZINC000229252235 411190024 /nfs/dbraw/zinc/19/00/24/411190024.db2.gz ROSIESXEAJHHMT-UHFFFAOYSA-N 1 0 232.374 0.980 10 0 BCAERO CC[C@@H]1COCCN1C(=O)C[C@H]([NH3+])C(C)C ZINC000128941828 411192598 /nfs/dbraw/zinc/19/25/98/411192598.db2.gz HUEJJSUXEDQHSA-MNOVXSKESA-N 1 0 228.336 0.997 10 0 BCAERO CC(C)[C@@H]([NH3+])CC(=O)N1CCOC(C)(C)C1 ZINC000128940671 411193748 /nfs/dbraw/zinc/19/37/48/411193748.db2.gz HISWHAMMROBGBC-JTQLQIEISA-N 1 0 228.336 0.997 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)Nc1ccn(C)n1 ZINC000128946125 411194418 /nfs/dbraw/zinc/19/44/18/411194418.db2.gz VYLTYJBSWSLJJL-MRVPVSSYSA-N 1 0 210.281 0.732 10 0 BCAERO COCCOCCNC(=O)C[C@@H]([NH3+])C(C)C ZINC000129018322 411203194 /nfs/dbraw/zinc/20/31/94/411203194.db2.gz CMBUTCSINXSCDL-SNVBAGLBSA-N 1 0 232.324 0.139 10 0 BCAERO CC(C)n1ncc2c1C(=O)NC1(CC[NH2+]CC1)C2 ZINC000095803063 167785647 /nfs/dbraw/zinc/78/56/47/167785647.db2.gz VUPPGECTCYOIJR-UHFFFAOYSA-N 1 0 248.330 0.872 10 0 BCAERO COCCC[C@@H](C)[NH2+][C@@H]1CCNC1=O ZINC000658052788 411219826 /nfs/dbraw/zinc/21/98/26/411219826.db2.gz HGSBZGAPPHNRAA-RKDXNWHRSA-N 1 0 200.282 0.280 10 0 BCAERO CC[C@@H](COC)NC(=O)C[C@H]([NH3+])C(C)C ZINC000129085806 411220663 /nfs/dbraw/zinc/22/06/63/411220663.db2.gz LESJKPKBFVUVRC-UWVGGRQHSA-N 1 0 216.325 0.901 10 0 BCAERO O=C1NCC[C@H]1[NH2+][C@H]1CCCc2cccnc21 ZINC000658053629 411221349 /nfs/dbraw/zinc/22/13/49/411221349.db2.gz XQYWMQRNDOSVNS-WDEREUQCSA-N 1 0 231.299 0.937 10 0 BCAERO C[C@@H]1C[C@@H](O)C[N@H+](C[C@H]2CCCN2C)C1 ZINC000401592322 411246887 /nfs/dbraw/zinc/24/68/87/411246887.db2.gz SDYIXWQKLUQHFH-IJLUTSLNSA-N 1 0 212.337 0.783 10 0 BCAERO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCNC2=O)CN1C1CC1 ZINC000658055682 411222563 /nfs/dbraw/zinc/22/25/63/411222563.db2.gz UCHFLIPXLXIMIM-FXPVBKGRSA-N 1 0 223.320 0.090 10 0 BCAERO O=C(NC1CC1)c1ccc(N2CC[NH2+]CC2)nc1 ZINC000049834550 411247524 /nfs/dbraw/zinc/24/75/24/411247524.db2.gz WDEIMPBLURMAEG-UHFFFAOYSA-N 1 0 246.314 0.383 10 0 BCAERO CC(C)[C@@H]([NH3+])CC(=O)NCC1(C)COC1 ZINC000129136627 411233033 /nfs/dbraw/zinc/23/30/33/411233033.db2.gz QFFKMVYAOJVNMQ-VIFPVBQESA-N 1 0 214.309 0.513 10 0 BCAERO CC(C)(C)N1CC[NH2+]C[C@H]1c1cc(N)n[nH]1 ZINC000616637512 411240048 /nfs/dbraw/zinc/24/00/48/411240048.db2.gz OBMCUEDWJCXSII-VIFPVBQESA-N 1 0 223.324 0.737 10 0 BCAERO CC(C)(C)N1CC[NH2+]C[C@H]1c1c[nH]nc1N ZINC000616636616 411241146 /nfs/dbraw/zinc/24/11/46/411241146.db2.gz GBNWBJPLEFEURU-VIFPVBQESA-N 1 0 223.324 0.737 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N(C)Cc1ncc[nH]1 ZINC000070645741 411271819 /nfs/dbraw/zinc/27/18/19/411271819.db2.gz JJANNDRIWPTNLO-QMMMGPOBSA-N 1 0 210.281 0.496 10 0 BCAERO Cc1nc(N)nc(N[C@H]2CCC[C@H](O)C2)n1 ZINC000631066532 411285514 /nfs/dbraw/zinc/28/55/14/411285514.db2.gz FVCAHNCHFXXOPD-YUMQZZPRSA-N 1 0 223.280 0.478 10 0 BCAERO Nc1n[nH]cc1[C@H]1CCCN(CC[NH3+])C1 ZINC000616620750 411287700 /nfs/dbraw/zinc/28/77/00/411287700.db2.gz LDLFSPZTMQTJGR-QMMMGPOBSA-N 1 0 209.297 0.130 10 0 BCAERO NC(=O)[C@]1(O)CCC[N@H+](Cc2cccc(N)c2)C1 ZINC000310885140 411289350 /nfs/dbraw/zinc/28/93/50/411289350.db2.gz JBHLWJGLPUACNN-ZDUSSCGKSA-N 1 0 249.314 0.081 10 0 BCAERO Cc1nccc(C(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)n1 ZINC000129488893 411291713 /nfs/dbraw/zinc/29/17/13/411291713.db2.gz CRYGDIKFRLKDTC-ZACCUICWSA-N 1 0 246.314 0.798 10 0 BCAERO CC(C)(C(=O)NCCC1CC1)N1CC[NH2+]CC1 ZINC000131317263 411304927 /nfs/dbraw/zinc/30/49/27/411304927.db2.gz YKZYTZOSYCGKFZ-UHFFFAOYSA-N 1 0 239.363 0.587 10 0 BCAERO CCn1ccnc(N(C)CC(C)(C)[NH3+])c1=O ZINC000656608990 411307632 /nfs/dbraw/zinc/30/76/32/411307632.db2.gz RLEQLNSKODXPBS-UHFFFAOYSA-N 1 0 224.308 0.437 10 0 BCAERO COc1ccnc(N(C)CC(C)(C)[NH3+])n1 ZINC000656610013 411308600 /nfs/dbraw/zinc/30/86/00/411308600.db2.gz ZBMPURXGNCEUEU-UHFFFAOYSA-N 1 0 210.281 0.659 10 0 BCAERO CCOC[C@@H](C)[NH2+]C[C@@H]1CC(=O)N(C)C1 ZINC000658242337 411308939 /nfs/dbraw/zinc/30/89/39/411308939.db2.gz HTBYQNZMALUXPW-ZJUUUORDSA-N 1 0 214.309 0.479 10 0 BCAERO CCOC[C@H](C)[NH2+]C[C@@H]1CC(=O)N(C)C1 ZINC000658242335 411309220 /nfs/dbraw/zinc/30/92/20/411309220.db2.gz HTBYQNZMALUXPW-UWVGGRQHSA-N 1 0 214.309 0.479 10 0 BCAERO C[C@@H]1C[C@H]1NC(=O)C1(C[NH3+])CCOCC1 ZINC000052277183 411310540 /nfs/dbraw/zinc/31/05/40/411310540.db2.gz WUVGVCLCJFLTPT-RKDXNWHRSA-N 1 0 212.293 0.267 10 0 BCAERO C[NH+](C)CCNC(=O)c1cnc(N)s1 ZINC000058084696 411314627 /nfs/dbraw/zinc/31/46/27/411314627.db2.gz XXDDXFRVXINVAV-UHFFFAOYSA-N 1 0 214.294 0.017 10 0 BCAERO COC[C@@H](CC[NH2+]CC(C)(C)O)OC ZINC000656677071 411323136 /nfs/dbraw/zinc/32/31/36/411323136.db2.gz LKELNJDIDRMWBD-SECBINFHSA-N 1 0 205.298 0.398 10 0 BCAERO O=C1NCC[C@H]1[NH2+][C@@H]1COC2(CCC2)C1 ZINC000656683870 411326415 /nfs/dbraw/zinc/32/64/15/411326415.db2.gz PJFIXFJTOVVKAL-DTWKUNHWSA-N 1 0 210.277 0.176 10 0 BCAERO [NH3+]Cc1cn(CCCOCC(F)(F)F)nn1 ZINC000050224469 411255080 /nfs/dbraw/zinc/25/50/80/411255080.db2.gz RFNRNISERHNPLI-UHFFFAOYSA-N 1 0 238.213 0.706 10 0 BCAERO C[C@H]1C[C@H]([NH2+]C2CC(CO)C2)CCN1C ZINC000658352914 411356912 /nfs/dbraw/zinc/35/69/12/411356912.db2.gz BYFRNULKXVIDHN-UZEXVOJHSA-N 1 0 212.337 0.830 10 0 BCAERO CC1(C)CN([C@]2(C[NH3+])CCSC2)CCO1 ZINC000036232197 167964916 /nfs/dbraw/zinc/96/49/16/167964916.db2.gz VFDZCKOJTDNTNH-NSHDSACASA-N 1 0 230.377 0.932 10 0 BCAERO COC[C@H](CCNC(=O)[C@H]1CCC[NH2+]C1)OC ZINC000659334326 411362946 /nfs/dbraw/zinc/36/29/46/411362946.db2.gz AMLZERUMKGLIRX-QWRGUYRKSA-N 1 0 244.335 0.154 10 0 BCAERO C[C@@H]1C[N@@H+]([C@@H]2CCC[C@H]2O)C[C@@]1(C)CO ZINC000662141973 411366829 /nfs/dbraw/zinc/36/68/29/411366829.db2.gz IRPLOEOCWYBFGA-KKOKHZNYSA-N 1 0 213.321 0.850 10 0 BCAERO Nc1cccnc1C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000132506660 411371309 /nfs/dbraw/zinc/37/13/09/411371309.db2.gz FQFKBYCRBGTTJC-SNVBAGLBSA-N 1 0 246.314 0.584 10 0 BCAERO C[NH+](C)[C@H]1CCN(Cc2ccnc(N)c2)C1 ZINC000062969402 411335118 /nfs/dbraw/zinc/33/51/18/411335118.db2.gz IMMRZWRHRPULQD-NSHDSACASA-N 1 0 220.320 0.800 10 0 BCAERO COC[C@H](CC[NH2+][C@@H]1CCCC[C@H]1O)OC ZINC000656703251 411339431 /nfs/dbraw/zinc/33/94/31/411339431.db2.gz BOQYZDCBFNFOTB-QJPTWQEYSA-N 1 0 231.336 0.931 10 0 BCAERO C[C@H]([NH3+])CCC(=O)N[C@@H]1CCC[C@H](O)C1 ZINC000069839345 411372310 /nfs/dbraw/zinc/37/23/10/411372310.db2.gz NCQVDTUIRVHFEC-AEJSXWLSSA-N 1 0 214.309 0.534 10 0 BCAERO O[C@@H]1CCC[C@H]1[N@@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000662031266 411347828 /nfs/dbraw/zinc/34/78/28/411347828.db2.gz RIEDSGLJKZPXID-NNYUYHANSA-N 1 0 211.305 0.868 10 0 BCAERO CC1(NC(=O)[C@H]2C[C@@H](O)C[NH2+]2)CCCCC1 ZINC000045046985 168059266 /nfs/dbraw/zinc/05/92/66/168059266.db2.gz HZHDADJKWPKRHZ-NXEZZACHSA-N 1 0 226.320 0.548 10 0 BCAERO CC1([NH2+]CCS(C)(=O)=O)CCCC1 ZINC000042186284 168063299 /nfs/dbraw/zinc/06/32/99/168063299.db2.gz QHDHDUNUKWKKNB-UHFFFAOYSA-N 1 0 205.323 0.953 10 0 BCAERO CC1(S(=O)(=O)N2CCC[C@H]2C[NH3+])CC1 ZINC000335127591 168071207 /nfs/dbraw/zinc/07/12/07/168071207.db2.gz ALJMGHMNVKMBOG-QMMMGPOBSA-N 1 0 218.322 0.292 10 0 BCAERO CC1=CC(=O)N(C[C@@H]2CCCC[NH2+]2)C1=O ZINC000044493584 168091940 /nfs/dbraw/zinc/09/19/40/168091940.db2.gz DJQGVDOAAQYXSU-VIFPVBQESA-N 1 0 208.261 0.444 10 0 BCAERO CC(C)([NH3+])c1cn([C@@H]2CCC[C@@H]2O)nn1 ZINC000069679442 411380568 /nfs/dbraw/zinc/38/05/68/411380568.db2.gz WSTKSWKDYVUPCS-SFYZADRCSA-N 1 0 210.281 0.558 10 0 BCAERO CC1CC(=O)N([C@@H](C[NH3+])C2CC2)C(=O)C1 ZINC000082641399 168138645 /nfs/dbraw/zinc/13/86/45/168138645.db2.gz APHLVOYTUPGTOU-VIFPVBQESA-N 1 0 210.277 0.509 10 0 BCAERO CC1CCC(C[NH3+])(N(C)S(C)(=O)=O)CC1 ZINC000050092778 168154149 /nfs/dbraw/zinc/15/41/49/168154149.db2.gz PWMUYNWJMJLFDR-UHFFFAOYSA-N 1 0 234.365 0.785 10 0 BCAERO CC1CCC(CNC(=O)[C@@H]2C[NH2+]CCN2)CC1 ZINC000063147074 168155563 /nfs/dbraw/zinc/15/55/63/168155563.db2.gz YJIGRWAKMTXLFK-MCIGGMRASA-N 1 0 239.363 0.490 10 0 BCAERO C[C@H]([NH2+]C1(CO)CCC(C)CC1)C(N)=O ZINC000053118690 168156211 /nfs/dbraw/zinc/15/62/11/168156211.db2.gz YXHIPLPOACSGQJ-YUCVTWSNSA-N 1 0 214.309 0.391 10 0 BCAERO C[C@H](C[NH3+])C(=O)NC1(CO)CCC(C)CC1 ZINC000054345677 168156275 /nfs/dbraw/zinc/15/62/75/168156275.db2.gz BWBNEFLLZPASDI-SQLBVSGCSA-N 1 0 228.336 0.639 10 0 BCAERO CC1CCC([NH2+]CCS(N)(=O)=O)CC1 ZINC000036745469 168162606 /nfs/dbraw/zinc/16/26/06/168162606.db2.gz LINWXTUXRHOBMV-UHFFFAOYSA-N 1 0 220.338 0.443 10 0 BCAERO C[C@@H]([NH2+]C1CCC(C)CC1)C(=O)NC(N)=O ZINC000020309505 168165157 /nfs/dbraw/zinc/16/51/57/168165157.db2.gz REIGYXWLXCCVNA-QJAFJHJLSA-N 1 0 227.308 0.738 10 0 BCAERO C[C@]1(CNC(=O)[C@H]2CC[NH2+]C2)CC1(F)F ZINC000659360222 411376160 /nfs/dbraw/zinc/37/61/60/411376160.db2.gz BGJSAKXMIKYBHZ-IONNQARKSA-N 1 0 218.247 0.757 10 0 BCAERO CCC(=O)N1CC[N@H+](CCOC)[C@H](CC)C1 ZINC000117301318 168220892 /nfs/dbraw/zinc/22/08/92/168220892.db2.gz GPTFLEDANZTCGI-LLVKDONJSA-N 1 0 228.336 0.966 10 0 BCAERO CCC(=O)N1CCN(C[C@H](C)C[NH3+])CC1 ZINC000037038556 168221445 /nfs/dbraw/zinc/22/14/45/168221445.db2.gz KBEYLXZOHZTEPY-SNVBAGLBSA-N 1 0 213.325 0.135 10 0 BCAERO CCC(=O)Nc1cccc(NC(=O)C[NH3+])c1 ZINC000040809597 168245204 /nfs/dbraw/zinc/24/52/04/168245204.db2.gz HHDJIFACICMZQR-UHFFFAOYSA-N 1 0 221.260 0.932 10 0 BCAERO CCC(=O)OC[C@@H](O)C[NH2+]C(C)(C)C ZINC000027703970 168249617 /nfs/dbraw/zinc/24/96/17/168249617.db2.gz CKVUQMJSDNJXGZ-QMMMGPOBSA-N 1 0 203.282 0.689 10 0 BCAERO CCC(=O)OC[C@H](O)C[NH2+]C(C)(C)C ZINC000027703975 168249771 /nfs/dbraw/zinc/24/97/71/168249771.db2.gz CKVUQMJSDNJXGZ-MRVPVSSYSA-N 1 0 203.282 0.689 10 0 BCAERO O=C(NC[C@@H]1CC[NH2+]C1)[C@H]1C[C@H]2C[C@H]2C1 ZINC000659304189 411387513 /nfs/dbraw/zinc/38/75/13/411387513.db2.gz MFOVTPJWDGNYMK-ZNSHCXBVSA-N 1 0 208.305 0.758 10 0 BCAERO CCC(C)(C)[NH2+][C@@H](C)C(=O)NC(=O)NC ZINC000020303305 168301014 /nfs/dbraw/zinc/30/10/14/168301014.db2.gz FSCIDQGDGDIDMQ-ZETCQYMHSA-N 1 0 215.297 0.609 10 0 BCAERO CC(C)([NH3+])CCC(=O)N[C@@H]1CCC[C@@H](O)C1 ZINC000069633750 411458036 /nfs/dbraw/zinc/45/80/36/411458036.db2.gz OGHJSZXBMVPGBD-NXEZZACHSA-N 1 0 228.336 0.924 10 0 BCAERO C[C@@H]([NH3+])[C@H]1CN(c2ccc(F)cn2)CCO1 ZINC000126795285 411458045 /nfs/dbraw/zinc/45/80/45/411458045.db2.gz VDDKXMSTBKDDEQ-PSASIEDQSA-N 1 0 225.267 0.773 10 0 BCAERO Nc1cc([C@@H]2CCCCN2CC[NH3+])[nH]n1 ZINC000616616762 411392604 /nfs/dbraw/zinc/39/26/04/411392604.db2.gz XHKRIFCOFXXSHX-VIFPVBQESA-N 1 0 209.297 0.478 10 0 BCAERO COc1ccccc1OCCn1cc(C[NH3+])nn1 ZINC000052675238 411398720 /nfs/dbraw/zinc/39/87/20/411398720.db2.gz DJQRWSSUVVOMKF-UHFFFAOYSA-N 1 0 248.286 0.824 10 0 BCAERO COCC1(N(C)C(=O)[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000659338931 411398981 /nfs/dbraw/zinc/39/89/81/411398981.db2.gz SIIHHEDZAKSOJQ-ZJUUUORDSA-N 1 0 226.320 0.751 10 0 BCAERO C[C@H](NC(=O)[C@H]1CC[NH2+]C1)c1cscn1 ZINC000659343098 411400178 /nfs/dbraw/zinc/40/01/78/411400178.db2.gz UOVDZSUUBZBMFO-YUMQZZPRSA-N 1 0 225.317 0.930 10 0 BCAERO C[NH2+][C@H](C)C(=O)N[C@@H](C)c1cscn1 ZINC000659343869 411401094 /nfs/dbraw/zinc/40/10/94/411401094.db2.gz ZJBUBPJDPQNBDE-NKWVEPMBSA-N 1 0 213.306 0.928 10 0 BCAERO C[NH2+][C@H](C)C(=O)NC[C@@H]1CCC[C@H](C)O1 ZINC000659363009 411404139 /nfs/dbraw/zinc/40/41/39/411404139.db2.gz ZBKYBBZMSVAKIB-AEJSXWLSSA-N 1 0 214.309 0.668 10 0 BCAERO CCN(CCO)C(=O)[C@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000037809349 169850310 /nfs/dbraw/zinc/85/03/10/169850310.db2.gz KLJSYFVCMNDREV-GRYCIOLGSA-N 1 0 240.347 0.748 10 0 BCAERO COC(=O)c1ccc(N2CC[NH2+]CC2)s1 ZINC000260392999 411404979 /nfs/dbraw/zinc/40/49/79/411404979.db2.gz DAPAFSIBWDHRIC-UHFFFAOYSA-N 1 0 226.301 0.944 10 0 BCAERO C[NH2+][C@H](C)C(=O)N1CC[C@@H](C)O[C@@H](C)C1 ZINC000659374849 411405666 /nfs/dbraw/zinc/40/56/66/411405666.db2.gz YDCCGEHIGXILPH-KXUCPTDWSA-N 1 0 214.309 0.620 10 0 BCAERO [NH3+]CCN1CCOCC[C@@H]1c1ncccn1 ZINC000616658582 411412592 /nfs/dbraw/zinc/41/25/92/411412592.db2.gz VYBLUDSDDPNWAA-SNVBAGLBSA-N 1 0 222.292 0.199 10 0 BCAERO CC(C)[N@@H+]1CCOC[C@@H](n2ccc(N)n2)C1 ZINC000616659047 411412944 /nfs/dbraw/zinc/41/29/44/411412944.db2.gz BLVVBUZKELUESE-JTQLQIEISA-N 1 0 224.308 0.747 10 0 BCAERO COC[C@H]([NH3+])C(=O)N1CCC2(CC2(F)F)CC1 ZINC000405038003 411414803 /nfs/dbraw/zinc/41/48/03/411414803.db2.gz AIKYWNYLWKRKHP-QMMMGPOBSA-N 1 0 248.273 0.608 10 0 BCAERO CO[C@H]1C[NH2+][C@@H](C(=O)N2CCCC(F)(F)C2)C1 ZINC000405110218 411416754 /nfs/dbraw/zinc/41/67/54/411416754.db2.gz MZLHVQBNPBLNFW-RKDXNWHRSA-N 1 0 248.273 0.621 10 0 BCAERO [NH3+]C1(C(=O)N2CCCC(F)(F)C2)CCOCC1 ZINC000405119171 411418056 /nfs/dbraw/zinc/41/80/56/411418056.db2.gz UPKXLHJZUCATAM-UHFFFAOYSA-N 1 0 248.273 0.752 10 0 BCAERO CCO[C@@H]1CN(c2cnccn2)C[C@H]1C[NH3+] ZINC000405495169 411432342 /nfs/dbraw/zinc/43/23/42/411432342.db2.gz AYMXWOHDUOUMNC-NXEZZACHSA-N 1 0 222.292 0.277 10 0 BCAERO [NH3+]CC1(C(=O)N[C@H]2CCC[C@H](O)C2)CCCC1 ZINC000122995903 411437461 /nfs/dbraw/zinc/43/74/61/411437461.db2.gz DXAJGFIOIONUQY-QWRGUYRKSA-N 1 0 240.347 0.925 10 0 BCAERO [NH3+]Cc1cccc(NC(=O)[C@@H]2CNC(=O)C2)c1 ZINC000123030585 411437774 /nfs/dbraw/zinc/43/77/74/411437774.db2.gz BVVFXTCDPKGQOD-VIFPVBQESA-N 1 0 233.271 0.220 10 0 BCAERO [NH3+]Cc1cccc(NC(=O)[C@H]2CNC(=O)C2)c1 ZINC000123030389 411437928 /nfs/dbraw/zinc/43/79/28/411437928.db2.gz BVVFXTCDPKGQOD-SECBINFHSA-N 1 0 233.271 0.220 10 0 BCAERO C[C@@]1(C(=O)NCC[C@H]2CCCO2)CCC[NH2+]1 ZINC000070618984 411441032 /nfs/dbraw/zinc/44/10/32/411441032.db2.gz LEUVWFJAWVTEBQ-PWSUYJOCSA-N 1 0 226.320 0.814 10 0 BCAERO CC[C@H]1C[C@@H]([NH2+]C2CCN(CCO)CC2)CO1 ZINC000657352978 411473997 /nfs/dbraw/zinc/47/39/97/411473997.db2.gz XOYQYLLKZCTOGE-OLZOCXBDSA-N 1 0 242.363 0.600 10 0 BCAERO COC[C@H](C)[NH2+]CC(=O)Nc1cc(C)no1 ZINC000309471444 411497488 /nfs/dbraw/zinc/49/74/88/411497488.db2.gz QUQVGDXZTZYOJS-QMMMGPOBSA-N 1 0 227.264 0.546 10 0 BCAERO CC[N@@H+]1CCC[C@@H](NC(=O)c2cccnc2N)C1 ZINC000050708129 169966850 /nfs/dbraw/zinc/96/68/50/169966850.db2.gz ZAUSECNRXVGTEH-SNVBAGLBSA-N 1 0 248.330 0.878 10 0 BCAERO CC1(C)C[C@H]([NH2+][C@@H]2CCCNC2=O)CCO1 ZINC000069890753 411505787 /nfs/dbraw/zinc/50/57/87/411505787.db2.gz ZNHIATMNIFUIMY-NXEZZACHSA-N 1 0 226.320 0.812 10 0 BCAERO CCN1CC[C@H]([N@@H+]2CC[C@H](CCO)C2)C1=O ZINC000659953977 411510732 /nfs/dbraw/zinc/51/07/32/411510732.db2.gz YRKLLQWICKGGGX-MNOVXSKESA-N 1 0 226.320 0.312 10 0 BCAERO C[C@H](N[C@@H]1C[N@H+](C)C[C@@H]1C)c1nncn1C ZINC000336750748 411511079 /nfs/dbraw/zinc/51/10/79/411511079.db2.gz UWTKQBQWGSMAPI-LPEHRKFASA-N 1 0 223.324 0.416 10 0 BCAERO C[C@@H]1CN(C(=O)C[C@@H]2CCOC2)C[C@@H]1C[NH3+] ZINC000638892288 411513269 /nfs/dbraw/zinc/51/32/69/411513269.db2.gz WETDHOUDOYCWAD-VWYCJHECSA-N 1 0 226.320 0.466 10 0 BCAERO CC[C@@H]1C[C@H]([NH2+][C@@H]2CCC(=O)N[C@H]2C)CO1 ZINC000657457762 411520521 /nfs/dbraw/zinc/52/05/21/411520521.db2.gz CMQUNAZTGMEJJU-UKKRHICBSA-N 1 0 226.320 0.811 10 0 BCAERO CCN1CC[C@H]([NH2+]Cc2cnc(C)n2C)C1 ZINC000657495893 411535053 /nfs/dbraw/zinc/53/50/53/411535053.db2.gz KRGUFKVYLBJFJK-NSHDSACASA-N 1 0 222.336 0.912 10 0 BCAERO CC[N@@H+]1CC[C@H](NC(=O)N2CCOCC2)C1 ZINC000334319890 170018372 /nfs/dbraw/zinc/01/83/72/170018372.db2.gz YSUQLHIUQQJROP-JTQLQIEISA-N 1 0 227.308 0.122 10 0 BCAERO CC[N@@H+]1C[C@@H](C)[C@@H](NCc2nccn2C)C1 ZINC000309644274 170030011 /nfs/dbraw/zinc/03/00/11/170030011.db2.gz LTLHSTSEEHMXBX-MNOVXSKESA-N 1 0 222.336 0.850 10 0 BCAERO CC[N@@H+]1C[C@@H](C)[C@H](NCc2cnnn2C)C1 ZINC000336780097 170031503 /nfs/dbraw/zinc/03/15/03/170031503.db2.gz QJVFSRXQURATAT-MWLCHTKSSA-N 1 0 223.324 0.245 10 0 BCAERO CCN1C[C@H](C)[C@H]([NH2+][C@@H](C)CC(N)=O)C1 ZINC000336768889 170038644 /nfs/dbraw/zinc/03/86/44/170038644.db2.gz UOPOMGXNJJWDLX-LPEHRKFASA-N 1 0 213.325 0.180 10 0 BCAERO Cc1ccncc1C[NH2+][C@@H]1CCNC1=O ZINC000657521866 411540648 /nfs/dbraw/zinc/54/06/48/411540648.db2.gz CYMQFWZLAYSEKR-SNVBAGLBSA-N 1 0 205.261 0.368 10 0 BCAERO CNC(=O)c1ccc(C[NH2+][C@@H]2CCNC2=O)cc1 ZINC000657523241 411541328 /nfs/dbraw/zinc/54/13/28/411541328.db2.gz FFPZAHACGQEYPN-LLVKDONJSA-N 1 0 247.298 0.024 10 0 BCAERO CCNC(=O)CC[NH2+]C[C@@H](C)N1CCCCC1 ZINC000051759203 170053191 /nfs/dbraw/zinc/05/31/91/170053191.db2.gz HBAMIEWSOLJAJC-GFCCVEGCSA-N 1 0 241.379 0.977 10 0 BCAERO CCNC(=O)CN(C)c1ccccc1C[NH2+]C ZINC000049727814 170054904 /nfs/dbraw/zinc/05/49/04/170054904.db2.gz YXXJCBPCAHKVPA-UHFFFAOYSA-N 1 0 235.331 0.978 10 0 BCAERO CCNC(=O)CN(CC)C(=O)[C@@](C)([NH3+])C1CC1 ZINC000037800342 170055924 /nfs/dbraw/zinc/05/59/24/170055924.db2.gz CBGMNXWKJKUONR-LBPRGKRZSA-N 1 0 241.335 0.098 10 0 BCAERO CCNC(=O)CN(CC)C(=O)[C@](C)([NH3+])C1CC1 ZINC000037800341 170056434 /nfs/dbraw/zinc/05/64/34/170056434.db2.gz CBGMNXWKJKUONR-GFCCVEGCSA-N 1 0 241.335 0.098 10 0 BCAERO CCNC(=O)CN1CCCC[C@@H]1[C@@H](C)[NH2+]CC ZINC000104426455 170058737 /nfs/dbraw/zinc/05/87/37/170058737.db2.gz XFQQGPBEAXTYMR-VXGBXAGGSA-N 1 0 241.379 0.975 10 0 BCAERO CCNC(=O)CN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000125289945 170060009 /nfs/dbraw/zinc/06/00/09/170060009.db2.gz XOTWGJSAWMZCBG-LLVKDONJSA-N 1 0 225.336 0.293 10 0 BCAERO CCNC(=O)CN1[C@@H]2CCC[C@H]1CC([NH3+])C2 ZINC000054602087 170061369 /nfs/dbraw/zinc/06/13/69/170061369.db2.gz IKYJEWBZCHPREZ-FGWVZKOKSA-N 1 0 225.336 0.467 10 0 BCAERO CCNC(=O)C[NH2+]C[C@@H](O)c1ccc(F)cc1 ZINC000037892025 170064625 /nfs/dbraw/zinc/06/46/25/170064625.db2.gz QNZVWECODRJXCL-LLVKDONJSA-N 1 0 240.278 0.585 10 0 BCAERO CCNC(=O)C[NH2+]C[C@H]1Cc2ccccc2O1 ZINC000038009961 170064829 /nfs/dbraw/zinc/06/48/29/170064829.db2.gz BKMVBWNQMMDIQE-LLVKDONJSA-N 1 0 234.299 0.716 10 0 BCAERO CCNC(=O)C[NH2+]C[C@](C)(O)c1ccccc1 ZINC000052097765 170065075 /nfs/dbraw/zinc/06/50/75/170065075.db2.gz AOMNTEJDYSFPOH-ZDUSSCGKSA-N 1 0 236.315 0.620 10 0 BCAERO CCNC(=O)C[NH2+][C@@H]1CCCc2c1cnn2C ZINC000036780492 170065964 /nfs/dbraw/zinc/06/59/64/170065964.db2.gz OCZFJLRFWGSFQQ-SNVBAGLBSA-N 1 0 236.319 0.523 10 0 BCAERO CCNC(=O)Cn1nc(C)c(C[NH3+])c1C ZINC000036868341 170071047 /nfs/dbraw/zinc/07/10/47/170071047.db2.gz BXXBEUWIWKJAJQ-UHFFFAOYSA-N 1 0 210.281 0.095 10 0 BCAERO CCNC(=O)NC(=O)[C@@H](C)[NH2+]C(C)C ZINC000020299167 170078086 /nfs/dbraw/zinc/07/80/86/170078086.db2.gz LBCPFOLLOAZCPF-SSDOTTSWSA-N 1 0 201.270 0.219 10 0 BCAERO CCNC(=O)[C@H](C)[NH2+]C[C@H](O)COC(C)(C)C ZINC000049202042 170094678 /nfs/dbraw/zinc/09/46/78/170094678.db2.gz AFGXEPWZLSHZJN-UWVGGRQHSA-N 1 0 246.351 0.277 10 0 BCAERO CCNC(=O)[C@H](C)[NH2+]CCC(=O)N[C@@H](C)CC ZINC000038014650 170095171 /nfs/dbraw/zinc/09/51/71/170095171.db2.gz NZKBBOOJUHUGPT-UWVGGRQHSA-N 1 0 243.351 0.405 10 0 BCAERO CCNC(=O)[C@H](C)[NH2+]Cc1ccccc1C(N)=O ZINC000049202336 170095294 /nfs/dbraw/zinc/09/52/94/170095294.db2.gz SZIJOMCREGGPLX-VIFPVBQESA-N 1 0 249.314 0.400 10 0 BCAERO CCNC(=O)[C@H](C)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000049565263 170096170 /nfs/dbraw/zinc/09/61/70/170096170.db2.gz GMAZLQIXCKMOBR-QJPTWQEYSA-N 1 0 239.363 0.727 10 0 BCAERO CC[NH2+]C(C)(C)C(=O)N1CCSCC1 ZINC000061288330 170106450 /nfs/dbraw/zinc/10/64/50/170106450.db2.gz UIZCCWXAOAGTKK-UHFFFAOYSA-N 1 0 216.350 0.950 10 0 BCAERO CC[NH2+]C(C)(C)C(=O)Nc1cnccn1 ZINC000061289763 170107142 /nfs/dbraw/zinc/10/71/42/170107142.db2.gz CJDNQCCJAYUDST-UHFFFAOYSA-N 1 0 208.265 0.803 10 0 BCAERO CC[NH2+]C1(C(N)=O)CCC2(CC1)OCCO2 ZINC000037945542 170108681 /nfs/dbraw/zinc/10/86/81/170108681.db2.gz SYLYUSLIHKCSNF-UHFFFAOYSA-N 1 0 228.292 0.137 10 0 BCAERO CC[NH2+]C1CCN(C[C@H]2COCCO2)CC1 ZINC000038062674 170108788 /nfs/dbraw/zinc/10/87/88/170108788.db2.gz BMQJVSKYWQCNAG-LBPRGKRZSA-N 1 0 228.336 0.476 10 0 BCAERO CC[NH2+]CC(=O)N1CCO[C@H]2CCC[C@@H]21 ZINC000044651657 170109111 /nfs/dbraw/zinc/10/91/11/170109111.db2.gz YHQXXFYQDBGMOV-UWVGGRQHSA-N 1 0 212.293 0.376 10 0 BCAERO CC[NH2+]CC(=O)N[C@H]1CCCC[C@H]1O ZINC000052009391 170109133 /nfs/dbraw/zinc/10/91/33/170109133.db2.gz UFRYSEOUFMPQLG-DTWKUNHWSA-N 1 0 200.282 0.016 10 0 BCAERO CC[NH2+]CCC(=O)N1CC(=O)Nc2ccccc21 ZINC000061288372 170111973 /nfs/dbraw/zinc/11/19/73/170111973.db2.gz TWRHRPRKTRMSLC-UHFFFAOYSA-N 1 0 247.298 0.971 10 0 BCAERO CC[NH2+]CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O ZINC000054267957 170113831 /nfs/dbraw/zinc/11/38/31/170113831.db2.gz MZBHWIONVMEGNH-UWVGGRQHSA-N 1 0 222.288 0.547 10 0 BCAERO CC[NH2+]CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000054267960 170113969 /nfs/dbraw/zinc/11/39/69/170113969.db2.gz UHMHFZDTYOGOME-UWVGGRQHSA-N 1 0 224.304 0.771 10 0 BCAERO CC[NH2+]C[C@@H](C)C(=O)N1CCOC[C@@H]1C ZINC000061229667 170117909 /nfs/dbraw/zinc/11/79/09/170117909.db2.gz UNRNMGGDPVQVBD-ZJUUUORDSA-N 1 0 214.309 0.479 10 0 BCAERO CC[NH2+]C[C@@H](C)C(=O)N(C)C[C@@H](C)C(=O)OC ZINC000061265897 170117930 /nfs/dbraw/zinc/11/79/30/170117930.db2.gz MHDOQJNQIKBINH-NXEZZACHSA-N 1 0 244.335 0.500 10 0 BCAERO CC[NH2+]C[C@@H](O)Cn1cnc2ccccc2c1=O ZINC000036950903 170118722 /nfs/dbraw/zinc/11/87/22/170118722.db2.gz MNYIVCSDKINXOB-SNVBAGLBSA-N 1 0 247.298 0.367 10 0 BCAERO CCN1CC[C@@H]([NH2+][C@@H](CO)c2ccccc2)C1=O ZINC000660179403 411552355 /nfs/dbraw/zinc/55/23/55/411552355.db2.gz ZYSOQVYHVOXICH-OLZOCXBDSA-N 1 0 248.326 0.930 10 0 BCAERO CCNC(=O)[C@H](C)N1CCC[C@H](C[NH2+]CC)C1 ZINC000104427874 170122594 /nfs/dbraw/zinc/12/25/94/170122594.db2.gz CLKQNWINLCYSCP-NWDGAFQWSA-N 1 0 241.379 0.833 10 0 BCAERO CC[NH2+]Cc1c(N(C)CCO)nc2ccccn21 ZINC000037899550 170124334 /nfs/dbraw/zinc/12/43/34/170124334.db2.gz ZIFLYCMHLYNWPW-UHFFFAOYSA-N 1 0 248.330 0.872 10 0 BCAERO CC[NH2+]Cc1cnc(CS(C)(=O)=O)s1 ZINC000052789301 170130917 /nfs/dbraw/zinc/13/09/17/170130917.db2.gz AONPSODGWFUFNV-UHFFFAOYSA-N 1 0 234.346 0.797 10 0 BCAERO CC[NH2+][C@@H](C)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000035545162 170141540 /nfs/dbraw/zinc/14/15/40/170141540.db2.gz OGHBWEQKILUNSS-ZETCQYMHSA-N 1 0 233.271 0.887 10 0 BCAERO CC[NH2+][C@@H](CC)Cc1nc(-c2nc[nH]n2)no1 ZINC000104067089 170144246 /nfs/dbraw/zinc/14/42/46/170144246.db2.gz QKVPRLVOXAAAOY-ZETCQYMHSA-N 1 0 236.279 0.785 10 0 BCAERO CC[NH2+][C@@H](CC)Cn1nc2n(c1=O)CCCC2 ZINC000061817465 170144299 /nfs/dbraw/zinc/14/42/99/170144299.db2.gz VUCUDQICMORZJU-JTQLQIEISA-N 1 0 238.335 0.769 10 0 BCAERO CC[NH2+][C@@H]1CCN(C[C@@H]2COCCO2)C1 ZINC000038062679 170151577 /nfs/dbraw/zinc/15/15/77/170151577.db2.gz WMHXCUDFOQGAKE-GHMZBOCLSA-N 1 0 214.309 0.086 10 0 BCAERO CC[NH2+][C@@H]1CCCc2c1cnn2CCO ZINC000037169352 170151751 /nfs/dbraw/zinc/15/17/51/170151751.db2.gz MOBSKTQZYXUGIQ-SNVBAGLBSA-N 1 0 209.293 0.862 10 0 BCAERO CC[NH2+][C@@H]1CCN(C[C@@H]2COCCO2)C[C@@H]1C ZINC000049713103 170152319 /nfs/dbraw/zinc/15/23/19/170152319.db2.gz ZNIXMURKOYNMDG-YNEHKIRRSA-N 1 0 242.363 0.722 10 0 BCAERO CC[NH2+][C@@H]1CCN(c2cccnc2)C1=O ZINC000049647139 170152422 /nfs/dbraw/zinc/15/24/22/170152422.db2.gz VSZFWSKVTGAMOB-SNVBAGLBSA-N 1 0 205.261 0.796 10 0 BCAERO CCN[C@@](C)(C[NH+]1CCC(C)(C)CC1)C(N)=O ZINC000061821972 170155223 /nfs/dbraw/zinc/15/52/23/170155223.db2.gz MFQQZRMYHZWWFR-ZDUSSCGKSA-N 1 0 241.379 0.962 10 0 BCAERO CC[NH2+][C@H](C)CC(=O)N1CCC(O)CC1 ZINC000061269129 170157053 /nfs/dbraw/zinc/15/70/53/170157053.db2.gz RBOGZHMZXROZAX-SECBINFHSA-N 1 0 214.309 0.358 10 0 BCAERO CC[NH2+][C@H](C)CN1C(=O)CCCCC1=O ZINC000043998974 170157143 /nfs/dbraw/zinc/15/71/43/170157143.db2.gz PFAJAXXTONSCCD-SECBINFHSA-N 1 0 212.293 0.914 10 0 BCAERO CC[NH2+][C@H](C)C[C@@H]1CCS(=O)(=O)C1 ZINC000038085318 170158021 /nfs/dbraw/zinc/15/80/21/170158021.db2.gz UKHFFNYUQBDGOD-BDAKNGLRSA-N 1 0 205.323 0.809 10 0 BCAERO CC[NH2+][C@H]1CC(=O)N(c2ccccc2)C1=O ZINC000036852970 170165972 /nfs/dbraw/zinc/16/59/72/170165972.db2.gz LLDDFSKPDYFVTG-JTQLQIEISA-N 1 0 218.256 0.928 10 0 BCAERO CC[NH2+][C@H]1CCN(Cc2ccccn2)C1=O ZINC000049648528 170167680 /nfs/dbraw/zinc/16/76/80/170167680.db2.gz TXKALNRBJGHKRT-NSHDSACASA-N 1 0 219.288 0.792 10 0 BCAERO CCN[C@]1(C(=O)OC)C[NH+]2CCC1CC2 ZINC000037447034 170170177 /nfs/dbraw/zinc/17/01/77/170170177.db2.gz KAYVGALLYPOROV-LLVKDONJSA-N 1 0 212.293 0.233 10 0 BCAERO CCN[C@](C)(C[N@@H+]1CCCOCC1)C(=O)OC ZINC000061933624 170170822 /nfs/dbraw/zinc/17/08/22/170170822.db2.gz YJMNRDVRUHTUJZ-GFCCVEGCSA-N 1 0 244.335 0.250 10 0 BCAERO CCOC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000049571960 170184106 /nfs/dbraw/zinc/18/41/06/170184106.db2.gz YDYOKIKNZYKKRC-VHSXEESVSA-N 1 0 240.303 0.293 10 0 BCAERO CCOC(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000037963986 170186196 /nfs/dbraw/zinc/18/61/96/170186196.db2.gz CNWIQDKSJFCEOU-UHFFFAOYSA-N 1 0 200.282 0.233 10 0 BCAERO CCOC(=O)C1(N)CC[NH+](C(C)C)CC1 ZINC000037459858 170190724 /nfs/dbraw/zinc/19/07/24/170190724.db2.gz VZGYFYBIDPTLBH-UHFFFAOYSA-N 1 0 214.309 0.751 10 0 BCAERO CCOC(=O)CC1(C(=O)OCC)CC[NH2+]CC1 ZINC000034537685 170198270 /nfs/dbraw/zinc/19/82/70/170198270.db2.gz SYFDZFBHUQZEPM-UHFFFAOYSA-N 1 0 243.303 0.873 10 0 BCAERO CCOC(=O)CCCNC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000091540734 170202125 /nfs/dbraw/zinc/20/21/25/170202125.db2.gz CMMUUUYKOXUFJF-NXEZZACHSA-N 1 0 242.319 0.573 10 0 BCAERO CCOC(=O)CC[N@@H+]1C[C@@H](OC)C[C@H]1CO ZINC000344734782 170206901 /nfs/dbraw/zinc/20/69/01/170206901.db2.gz XLTJHVKUYVRJGP-UWVGGRQHSA-N 1 0 231.292 0.021 10 0 BCAERO CCOC(=O)CCNC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000136158817 170208433 /nfs/dbraw/zinc/20/84/33/170208433.db2.gz HCAYPRGRSPZGLM-GFCCVEGCSA-N 1 0 242.319 0.588 10 0 BCAERO CCOC(=O)CC[NH2+]C1CCC(C(N)=O)CC1 ZINC000038091961 170209247 /nfs/dbraw/zinc/20/92/47/170209247.db2.gz ALINXUKXXNOQQK-UHFFFAOYSA-N 1 0 242.319 0.573 10 0 BCAERO CCOC(=O)CN(C(=O)[C@@H]1CCC[NH2+]1)C1CC1 ZINC000037825584 170212391 /nfs/dbraw/zinc/21/23/91/170212391.db2.gz NOANOEZKCVTKIR-JTQLQIEISA-N 1 0 240.303 0.293 10 0 BCAERO CCOC(=O)CN(C(=O)[C@H]1CCC[NH2+]1)C(C)C ZINC000038101167 170213097 /nfs/dbraw/zinc/21/30/97/170213097.db2.gz ZDDIHLWAUIXWRU-SNVBAGLBSA-N 1 0 242.319 0.539 10 0 BCAERO CCOC(=O)CN(C)C(=O)[C@H]([NH3+])[C@H](C)CC ZINC000236834839 170214059 /nfs/dbraw/zinc/21/40/59/170214059.db2.gz RCVHATLXDMXQCJ-PSASIEDQSA-N 1 0 230.308 0.381 10 0 BCAERO CCOC(=O)CNC[C@@H]1CCC[N@@H+]1CC ZINC000020054476 170225645 /nfs/dbraw/zinc/22/56/45/170225645.db2.gz WCZFTNSTZFRENO-JTQLQIEISA-N 1 0 214.309 0.623 10 0 BCAERO CCOC(=O)COCC[N@@H+]1CC[C@H](CCO)C1 ZINC000123628688 170227917 /nfs/dbraw/zinc/22/79/17/170227917.db2.gz BPKNSVCREBXIGM-LLVKDONJSA-N 1 0 245.319 0.270 10 0 BCAERO CCOC(=O)N(CC[NH3+])Cc1ccccn1 ZINC000253569189 170238725 /nfs/dbraw/zinc/23/87/25/170238725.db2.gz MBBHIJRNBICUCC-UHFFFAOYSA-N 1 0 223.276 0.999 10 0 BCAERO CCOC(=O)N1CCc2n[nH+]c(NN)cc2C1 ZINC000003601703 170240057 /nfs/dbraw/zinc/24/00/57/170240057.db2.gz QWFYBFFWLXGYBD-UHFFFAOYSA-N 1 0 237.263 0.277 10 0 BCAERO CCOC(=O)N[C@H](C[NH3+])c1ccccn1 ZINC000019414981 170243189 /nfs/dbraw/zinc/24/31/89/170243189.db2.gz JRBNFDNOLDVQQP-SECBINFHSA-N 1 0 209.249 0.828 10 0 BCAERO CCOC(=O)N[C@H](C[NH3+])c1ccncc1 ZINC000019421766 170243316 /nfs/dbraw/zinc/24/33/16/170243316.db2.gz OMGLGIHWPSAEDK-SECBINFHSA-N 1 0 209.249 0.828 10 0 BCAERO CCOC(=O)Nc1cc(N)c(N)c(N)[nH+]1 ZINC000027196481 170243755 /nfs/dbraw/zinc/24/37/55/170243755.db2.gz LWGXPXHPHUKJNK-UHFFFAOYSA-N 1 0 211.225 0.397 10 0 BCAERO CCOC(=O)[C@@H](C)C[NH2+][C@H](C)c1nncn1C ZINC000050418186 170246472 /nfs/dbraw/zinc/24/64/72/170246472.db2.gz DRAVHEHWLQXRLD-DTWKUNHWSA-N 1 0 240.307 0.665 10 0 BCAERO CCOC(=O)[C@@H](N)CC[N@H+](C)[C@H](C)CC ZINC000062445014 170252336 /nfs/dbraw/zinc/25/23/36/170252336.db2.gz ZLFYIYQQBSEMEI-ZJUUUORDSA-N 1 0 216.325 0.997 10 0 BCAERO CCOC(=O)[C@@H](N)C[N@H+](C)C[C@@H](C)CC ZINC000045388290 170253144 /nfs/dbraw/zinc/25/31/44/170253144.db2.gz ZWAQLSKAUCKUPA-UWVGGRQHSA-N 1 0 216.325 0.855 10 0 BCAERO COC[C@H](C)[NH2+]CCCc1cncn1C ZINC000313937865 411560026 /nfs/dbraw/zinc/56/00/26/411560026.db2.gz DWODQBVBKGGDOZ-JTQLQIEISA-N 1 0 211.309 0.977 10 0 BCAERO CCOC(=O)[C@@H]1CCCCN1C(=O)[C@H](C)[NH3+] ZINC000037825308 170256852 /nfs/dbraw/zinc/25/68/52/170256852.db2.gz CNRWCSCPSUIUSW-IUCAKERBSA-N 1 0 228.292 0.278 10 0 BCAERO CCOC(=O)[C@@]1(COC)CCC[NH2+]C1 ZINC000216654311 170263021 /nfs/dbraw/zinc/26/30/21/170263021.db2.gz NJJMTZFBHZYZGB-JTQLQIEISA-N 1 0 201.266 0.566 10 0 BCAERO CCOC(=O)[C@@]1(NC)C=CC([NH2+]C)=CC1 ZINC000103619904 170263459 /nfs/dbraw/zinc/26/34/59/170263459.db2.gz QJNWJBHJIZIDSP-LLVKDONJSA-N 1 0 210.277 0.571 10 0 BCAERO CCOC(=O)[C@H](C)N1C[C@H](C)[C@H]([NH+](C)C)C1 ZINC000124428245 170267740 /nfs/dbraw/zinc/26/77/40/170267740.db2.gz NBLRFSXELKZISJ-GARJFASQSA-N 1 0 228.336 0.820 10 0 BCAERO CCOC(=O)[C@H](C[NH3+])c1cccc(O)c1 ZINC000075617619 170273409 /nfs/dbraw/zinc/27/34/09/170273409.db2.gz DRUVQIGURNLEDI-SNVBAGLBSA-N 1 0 209.245 0.998 10 0 BCAERO CCOC(=O)[C@H](N)C[NH+]1CCCCC1 ZINC000045378140 170275346 /nfs/dbraw/zinc/27/53/46/170275346.db2.gz SVAYQQCJIANBEA-SECBINFHSA-N 1 0 200.282 0.363 10 0 BCAERO CCOC(=O)[C@](C)(O)C[NH2+][C@@H]1CCO[C@@H]1C ZINC000348186279 170285218 /nfs/dbraw/zinc/28/52/18/170285218.db2.gz QZRVUQNDJHQRFL-FXPVBKGRSA-N 1 0 231.292 0.068 10 0 BCAERO CCOC(=O)[C@]1(N2CC[NH2+]CC2)CCSC1 ZINC000037963965 170285745 /nfs/dbraw/zinc/28/57/45/170285745.db2.gz YZDHADOPJGRFFM-NSHDSACASA-N 1 0 244.360 0.330 10 0 BCAERO CCOC(=O)c1cc(Cl)nc(CC[NH3+])n1 ZINC000095757402 170292205 /nfs/dbraw/zinc/29/22/05/170292205.db2.gz FYCVFNBUIGTDBQ-UHFFFAOYSA-N 1 0 229.667 0.808 10 0 BCAERO CCOC(=O)c1ccc(NCC[NH2+]C)nc1 ZINC000054244845 170296866 /nfs/dbraw/zinc/29/68/66/170296866.db2.gz QCBKZSMRRBXMOQ-UHFFFAOYSA-N 1 0 223.276 0.890 10 0 BCAERO CCOCCC[N@@H+]1C[C@@H](OC)C[C@@H]1CO ZINC000308843451 170374480 /nfs/dbraw/zinc/37/44/80/170374480.db2.gz ODXOMIXXOMMTAF-MNOVXSKESA-N 1 0 217.309 0.495 10 0 BCAERO CCOCCCN1C[C@@H](C[NH3+])O[C@@H](C)C1 ZINC000071519823 170376598 /nfs/dbraw/zinc/37/65/98/170376598.db2.gz PVRFZHGKWFPWIT-WDEREUQCSA-N 1 0 216.325 0.461 10 0 BCAERO CCOCCC[NH2+][C@@H]1CCCCNC1=O ZINC000020055041 170382444 /nfs/dbraw/zinc/38/24/44/170382444.db2.gz IKPUENHLBSDFLK-SNVBAGLBSA-N 1 0 214.309 0.671 10 0 BCAERO CCOCCN1CC[N@H+](CCCCO)C[C@@H]1C ZINC000105914061 170399752 /nfs/dbraw/zinc/39/97/52/170399752.db2.gz GNQLZEYAEHVUQG-ZDUSSCGKSA-N 1 0 244.379 0.802 10 0 BCAERO CC[N@@H+]1CC[C@@H](Nc2ccc(C#N)nn2)C1 ZINC000397021495 411635677 /nfs/dbraw/zinc/63/56/77/411635677.db2.gz SLBGMRGSGQEXDK-SNVBAGLBSA-N 1 0 217.276 0.854 10 0 BCAERO CC[N@@H+]1CCOC[C@@H](Nc2cc[nH]n2)C1 ZINC000616659659 411636816 /nfs/dbraw/zinc/63/68/16/411636816.db2.gz CWFWKJIKYFYIIW-VIFPVBQESA-N 1 0 210.281 0.542 10 0 BCAERO COc1ccc(C[NH2+]C[C@H]2CC(=O)N(C)C2)cn1 ZINC000657695966 411581374 /nfs/dbraw/zinc/58/13/74/411581374.db2.gz RAGRDUIUMSYRTK-LLVKDONJSA-N 1 0 249.314 0.658 10 0 BCAERO Cc1ccc(C[NH2+]C[C@@H]2CC(=O)N(C)C2)nc1 ZINC000657696779 411581451 /nfs/dbraw/zinc/58/14/51/411581451.db2.gz KUZKNNDXPHYNMG-NSHDSACASA-N 1 0 233.315 0.958 10 0 BCAERO CN1C[C@H](C[NH2+]Cc2nccs2)CC1=O ZINC000657697576 411582130 /nfs/dbraw/zinc/58/21/30/411582130.db2.gz QDEYUYAWVDHCBA-QMMMGPOBSA-N 1 0 225.317 0.711 10 0 BCAERO COc1ccc(C[NH2+]C2CC(CO)C2)cn1 ZINC000657810388 411602841 /nfs/dbraw/zinc/60/28/41/411602841.db2.gz DDSBWKUYWHQEPG-UHFFFAOYSA-N 1 0 222.288 0.951 10 0 BCAERO Cc1n[nH]c(C)c1C[NH2+]C1CC(CO)C1 ZINC000657812354 411603483 /nfs/dbraw/zinc/60/34/83/411603483.db2.gz JNGCBLWFCNKGEL-UHFFFAOYSA-N 1 0 209.293 0.887 10 0 BCAERO C[C@@H]1C[C@@H]([NH2+]C2CC(CO)C2)CN1C1CC1 ZINC000657813144 411604317 /nfs/dbraw/zinc/60/43/17/411604317.db2.gz RGRYAMOYZRPHGJ-HBIQZDMRSA-N 1 0 224.348 0.972 10 0 BCAERO COc1cc(OC)c2ncnc(NCC[NH3+])c2c1 ZINC000420115683 411708470 /nfs/dbraw/zinc/70/84/70/411708470.db2.gz KNMMWXOWEWNBDR-UHFFFAOYSA-N 1 0 248.286 1.018 10 0 BCAERO CCO[C@@H]1C[C@H]1C(=O)NCC1(C)CC[NH2+]CC1 ZINC000183327959 170493353 /nfs/dbraw/zinc/49/33/53/170493353.db2.gz MYYUHQGVWSSJNM-GHMZBOCLSA-N 1 0 240.347 0.917 10 0 BCAERO c1nnc2ccc(NC[C@H]3CCCC[NH2+]3)nn12 ZINC000642996200 411709936 /nfs/dbraw/zinc/70/99/36/411709936.db2.gz MTNNZODHCNEJRZ-SECBINFHSA-N 1 0 232.291 0.678 10 0 BCAERO O[C@@H]1C[NH2+]C[C@@H]1CNc1ccc2ccccc2n1 ZINC000420255886 411695233 /nfs/dbraw/zinc/69/52/33/411695233.db2.gz TZRFBYDYCFXAKF-DGCLKSJQSA-N 1 0 243.310 1.227 10 0 BCAERO Cc1cnc(NCC[C@H]2CC[NH2+]C2)nc1C ZINC000386504303 411736318 /nfs/dbraw/zinc/73/63/18/411736318.db2.gz UWMICETYQPHBBK-LLVKDONJSA-N 1 0 220.320 1.505 10 0 BCAERO CCS(=O)(=O)NC[C@H]1CC[C@H](C)[NH2+]C1 ZINC000062037432 170618491 /nfs/dbraw/zinc/61/84/91/170618491.db2.gz WPIZKCRHCNACPS-IUCAKERBSA-N 1 0 220.338 0.314 10 0 BCAERO COc1ccnc(NCCC[NH2+]C(C)C)n1 ZINC000583074928 411762572 /nfs/dbraw/zinc/76/25/72/411762572.db2.gz ZPZNIUIVWCPLTA-UHFFFAOYSA-N 1 0 224.308 1.285 10 0 BCAERO COC(C)(C)CNC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000133516554 411793767 /nfs/dbraw/zinc/79/37/67/411793767.db2.gz AJLJGGGNJAYDPR-NXEZZACHSA-N 1 0 228.336 0.903 10 0 BCAERO CCOc1nccnc1NC[C@H](C)[NH2+]C ZINC000643038483 411720236 /nfs/dbraw/zinc/72/02/36/411720236.db2.gz HKUDNQBEJPMCDE-QMMMGPOBSA-N 1 0 210.281 0.895 10 0 BCAERO CC(C)n1nnnc1C[NH2+][C@H](CO)C1CCC1 ZINC000661152587 411720153 /nfs/dbraw/zinc/72/01/53/411720153.db2.gz AKRHXRYJDPUTCC-SNVBAGLBSA-N 1 0 239.323 0.505 10 0 BCAERO CCOc1nccnc1N[C@@H]1CC[NH2+]C1 ZINC000630547737 411720318 /nfs/dbraw/zinc/72/03/18/411720318.db2.gz VSDYGPYYWNFSPZ-MRVPVSSYSA-N 1 0 208.265 0.649 10 0 BCAERO Cc1nnc(NCC2([NH3+])CCOCC2)s1 ZINC000630524739 411798111 /nfs/dbraw/zinc/79/81/11/411798111.db2.gz WZRIFIWGAKGBFR-UHFFFAOYSA-N 1 0 228.321 0.766 10 0 BCAERO Cc1nnc2c(N[C@H]3CC[C@@H](C)[NH2+]C3)nccn12 ZINC000630534567 411804300 /nfs/dbraw/zinc/80/43/00/411804300.db2.gz YBHPVVCNDUOCTJ-SCZZXKLOSA-N 1 0 246.318 0.985 10 0 BCAERO Cc1nnc2c(N[C@H]3CC[C@@H](C[NH3+])C3)nccn12 ZINC000382484577 411804352 /nfs/dbraw/zinc/80/43/52/411804352.db2.gz YSVDOSDXGGOESD-ZJUUUORDSA-N 1 0 246.318 0.972 10 0 BCAERO Cc1nnc2c(N[C@H]3C[NH2+]CC[C@@H]3C)nccn12 ZINC000389725812 411804833 /nfs/dbraw/zinc/80/48/33/411804833.db2.gz KSRNDJDVDYBFDM-WPRPVWTQSA-N 1 0 246.318 0.843 10 0 BCAERO CC[C@@H](C)[NH2+]C1(C(N)=O)CCOCC1 ZINC000038065106 170749545 /nfs/dbraw/zinc/74/95/45/170749545.db2.gz VHBQVJRNKMRJDZ-MRVPVSSYSA-N 1 0 200.282 0.409 10 0 BCAERO CC[C@@H](C)[NH2+]CC(=O)N(CC(=O)OC)C(C)C ZINC000037812945 170750516 /nfs/dbraw/zinc/75/05/16/170750516.db2.gz VFQLVVJSVLVOLB-SNVBAGLBSA-N 1 0 244.335 0.785 10 0 BCAERO CC[C@@H](C)[NH2+]CC(=O)N1CCCOCC1 ZINC000061920604 170750727 /nfs/dbraw/zinc/75/07/27/170750727.db2.gz QAEGCUFLPZWEEW-SNVBAGLBSA-N 1 0 214.309 0.623 10 0 BCAERO CC[N@@H+]1CCCO[C@H](n2ccc(N)n2)C1 ZINC000616649440 411857046 /nfs/dbraw/zinc/85/70/46/411857046.db2.gz JRWCLHADIWGBTA-JTQLQIEISA-N 1 0 210.281 0.706 10 0 BCAERO CC[C@@H](CC[NH3+])N1C(=O)c2cccnc2C1=O ZINC000054162075 170816176 /nfs/dbraw/zinc/81/61/76/170816176.db2.gz OQONLTWKVFQACS-QMMMGPOBSA-N 1 0 233.271 0.805 10 0 BCAERO C[C@H]1CC[C@H](O)C[N@@H+]1Cc1ccnc(N)c1 ZINC000399394061 411929792 /nfs/dbraw/zinc/92/97/92/411929792.db2.gz CZIYOMGWULPYHC-ONGXEEELSA-N 1 0 221.304 1.009 10 0 BCAERO CC(C)N1CC[NH2+]C[C@H]1c1c[nH]nc1N ZINC000616636649 411871507 /nfs/dbraw/zinc/87/15/07/411871507.db2.gz GIXZINZGJJEAQC-VIFPVBQESA-N 1 0 209.297 0.347 10 0 BCAERO Nc1n[nH]cc1[C@@H]1CCCC[N@H+](CCO)C1 ZINC000616654928 411986273 /nfs/dbraw/zinc/98/62/73/411986273.db2.gz SVFPGULSAZDTSB-SECBINFHSA-N 1 0 224.308 0.554 10 0 BCAERO C[C@H]1C[N@H+](CC2(O)CCC2)C[C@@]1(C)CO ZINC000662144175 412007015 /nfs/dbraw/zinc/00/70/15/412007015.db2.gz UREFGPYUQGOGHD-QWRGUYRKSA-N 1 0 213.321 0.852 10 0 BCAERO Nc1cccnc1C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000132506892 412017610 /nfs/dbraw/zinc/01/76/10/412017610.db2.gz FQFKBYCRBGTTJC-JTQLQIEISA-N 1 0 246.314 0.584 10 0 BCAERO FC1(F)C[C@H]1OCCN[C@@H]1CC[NH2+]C1 ZINC000662266362 412058948 /nfs/dbraw/zinc/05/89/48/412058948.db2.gz WTJIJOBMMRYPKJ-HTQZYQBOSA-N 1 0 206.236 0.362 10 0 BCAERO FC1(F)C[C@@H]1OCCN[C@H]1CC[NH2+]C1 ZINC000662266365 412059084 /nfs/dbraw/zinc/05/90/84/412059084.db2.gz WTJIJOBMMRYPKJ-YUMQZZPRSA-N 1 0 206.236 0.362 10 0 BCAERO CC[C@@H]1CN(C(=O)C2CC2)CC[N@@H+]1CCOC ZINC000117300013 171062488 /nfs/dbraw/zinc/06/24/88/171062488.db2.gz XFGYPZKNNCJRIN-GFCCVEGCSA-N 1 0 240.347 0.966 10 0 BCAERO CC[C@@H]1COCCN1C(=O)C(C)(C)[NH2+]C ZINC000061300553 171102468 /nfs/dbraw/zinc/10/24/68/171102468.db2.gz VQKRCPFRWVFSJX-SECBINFHSA-N 1 0 214.309 0.622 10 0 BCAERO CC[C@@H]1CO[C@@H](C)CN1C(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000233922556 171107630 /nfs/dbraw/zinc/10/76/30/171107630.db2.gz HUPARFQIMVWESN-WRWGMCAJSA-N 1 0 240.347 0.868 10 0 BCAERO CC[C@@H]1CSC(N[C@H]2CCCNC2=O)=N1 ZINC000050396862 171114596 /nfs/dbraw/zinc/11/45/96/171114596.db2.gz IVHQHDYOQFWTJV-SFYZADRCSA-N 1 0 227.333 0.736 10 0 BCAERO CC[C@@H]1CO[C@H](C)CN1C[C@]1(C[NH3+])CCOC1 ZINC000051257674 171114950 /nfs/dbraw/zinc/11/49/50/171114950.db2.gz YTXDJHLWBYKBQX-JHJVBQTASA-N 1 0 242.363 0.851 10 0 BCAERO CC[C@@]1(C(=O)NC[C@@H]2CCOC2)CCC[NH2+]1 ZINC000128879910 171196502 /nfs/dbraw/zinc/19/65/02/171196502.db2.gz YMSDTWIIQHJANN-JQWIXIFHSA-N 1 0 226.320 0.671 10 0 BCAERO CC[C@H](C(=O)OC)[N@@H+]1CC[C@@H](CCO)C1 ZINC000357954670 171242141 /nfs/dbraw/zinc/24/21/41/171242141.db2.gz VYIYWMSXTCRHCA-VHSXEESVSA-N 1 0 215.293 0.642 10 0 BCAERO FC1(F)C[C@@H]1OCCN1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000662284185 412075237 /nfs/dbraw/zinc/07/52/37/412075237.db2.gz UGIAQZHAFFVFAB-AEJSXWLSSA-N 1 0 248.273 0.083 10 0 BCAERO CC[C@H](C)N(C)C(=O)C(=O)N1CCC[NH2+]CC1 ZINC000037110803 171301695 /nfs/dbraw/zinc/30/16/95/171301695.db2.gz GVRSNGAAWTZZSC-JTQLQIEISA-N 1 0 241.335 0.065 10 0 BCAERO CC[C@H](C)N(C)S(=O)(=O)N1CCC[NH2+]CC1 ZINC000037110515 171310134 /nfs/dbraw/zinc/31/01/34/171310134.db2.gz PAKCYXRTXWNHJX-JTQLQIEISA-N 1 0 249.380 0.257 10 0 BCAERO CC[C@H](C)NC(=O)CC[NH2+]CC(C)(C)O ZINC000038014350 171322421 /nfs/dbraw/zinc/32/24/21/171322421.db2.gz PETBGAYYZXHBCC-VIFPVBQESA-N 1 0 216.325 0.652 10 0 BCAERO CC[C@H](C)NC(=O)C[NH2+]CCN(C)C ZINC000020056937 171326753 /nfs/dbraw/zinc/32/67/53/171326753.db2.gz OPPZZPWHXDIYTN-VIFPVBQESA-N 1 0 201.314 0.052 10 0 BCAERO CC[C@H](C)[NH2+]CC(=O)N(CC(N)=O)CC(C)C ZINC000037818973 171339218 /nfs/dbraw/zinc/33/92/18/171339218.db2.gz RDXREWQDAPENQS-JTQLQIEISA-N 1 0 243.351 0.344 10 0 BCAERO CC[C@H](C)[NH2+]CC(=O)N1CCC[C@@H](O)C1 ZINC000037654913 171339570 /nfs/dbraw/zinc/33/95/70/171339570.db2.gz DKHNJYSRYUTKCP-VHSXEESVSA-N 1 0 214.309 0.358 10 0 BCAERO CC[C@H](C)[NH2+][C@@H](C)C(=O)NC(=O)NC ZINC000020303019 171345235 /nfs/dbraw/zinc/34/52/35/171345235.db2.gz RPJKYTJCTABAQI-BQBZGAKWSA-N 1 0 201.270 0.219 10 0 BCAERO CC[C@H](C)OCC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000124020789 171352311 /nfs/dbraw/zinc/35/23/11/171352311.db2.gz IOCGJPJLCXYTKB-WDEREUQCSA-N 1 0 228.336 0.964 10 0 BCAERO CC[C@H](C)[C@@H]([NH3+])CN1CCS(=O)CC1 ZINC000049692963 171372779 /nfs/dbraw/zinc/37/27/79/171372779.db2.gz SGEMWWYGWFFKJO-UWVGGRQHSA-N 1 0 218.366 0.424 10 0 BCAERO CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H](C(=O)OC)C(C)C ZINC000040832019 171395799 /nfs/dbraw/zinc/39/57/99/171395799.db2.gz FLJWXGYLAKEICP-LPEHRKFASA-N 1 0 244.335 0.674 10 0 BCAERO CC[C@H]([NH2+]C)C(=O)N[C@@H]1CCCOC1 ZINC000662448040 412177419 /nfs/dbraw/zinc/17/74/19/412177419.db2.gz FJAIXRWOILGWEF-BDAKNGLRSA-N 1 0 200.282 0.280 10 0 BCAERO [NH3+][C@H]1C[C@H](C(=O)NCC[C@H]2CCCO2)C1 ZINC000662462861 412183651 /nfs/dbraw/zinc/18/36/51/412183651.db2.gz OYSMIUKVIRFJBM-OPRDCNLKSA-N 1 0 212.293 0.409 10 0 BCAERO CCn1cc(CN[C@H](C)[C@@H]2CCC[NH2+]C2)nn1 ZINC000665245902 412190843 /nfs/dbraw/zinc/19/08/43/412190843.db2.gz UNDKYUYHQOWSSI-GHMZBOCLSA-N 1 0 237.351 0.776 10 0 BCAERO CC[C@H]([NH3+])[C@H](c1cnn(C)c1)n1cccn1 ZINC000043232450 171489521 /nfs/dbraw/zinc/48/95/21/171489521.db2.gz NPXBHTXICIXPHV-QWRGUYRKSA-N 1 0 219.292 0.943 10 0 BCAERO CC[C@H](O)CCNC(=O)C[C@@H]([NH3+])C(C)C ZINC000218845294 412192723 /nfs/dbraw/zinc/19/27/23/412192723.db2.gz FBENICKGWCYDMA-VHSXEESVSA-N 1 0 216.325 0.637 10 0 BCAERO C[C@@H](NC(=O)[C@H]1C[C@H]([NH3+])C1)[C@@H]1CCCO1 ZINC000662495430 412195383 /nfs/dbraw/zinc/19/53/83/412195383.db2.gz RUQHIBHQXDSLHS-KYXWUPHJSA-N 1 0 212.293 0.407 10 0 BCAERO CC[C@@H]([NH2+]C)C(=O)NC[C@H](O)C(C)(C)C ZINC000662502216 412198162 /nfs/dbraw/zinc/19/81/62/412198162.db2.gz JZIJZOJEXKYBBU-BDAKNGLRSA-N 1 0 216.325 0.508 10 0 BCAERO CN(C[C@H]1CC[N@H+](C)C1)C(=O)c1ncccc1N ZINC000132692214 412198996 /nfs/dbraw/zinc/19/89/96/412198996.db2.gz WDNQICDXPJZSBL-JTQLQIEISA-N 1 0 248.330 0.688 10 0 BCAERO [NH3+][C@@H]1C[C@@H](N[C@@H]2CCNC2=O)c2ccccc21 ZINC000665228898 412165673 /nfs/dbraw/zinc/16/56/73/412165673.db2.gz KFMJROIAFGJNQK-IJLUTSLNSA-N 1 0 231.299 0.609 10 0 BCAERO COC[C@H](CC[NH2+][C@H](C)[C@@H]1CC[NH2+]C1)OC ZINC000665235772 412174575 /nfs/dbraw/zinc/17/45/75/412174575.db2.gz ZRKRYBUZCBIHTG-UTUOFQBUSA-N 1 0 230.352 0.626 10 0 BCAERO C[C@H]1CC[C@@H](Nc2nccn3cnnc23)C[NH2+]1 ZINC000630533397 412260515 /nfs/dbraw/zinc/26/05/15/412260515.db2.gz PDXCHTVCJNVBFG-DTWKUNHWSA-N 1 0 232.291 0.677 10 0 BCAERO C[C@H]1CC[C@@H](Nc2ccc(C(N)=O)nn2)C[NH2+]1 ZINC000630532767 412261076 /nfs/dbraw/zinc/26/10/76/412261076.db2.gz KOKSLZBHSIPRPN-JGVFFNPUSA-N 1 0 235.291 0.128 10 0 BCAERO C[C@H]1CC[C@H](Nc2ccc(C(N)=O)nn2)C[NH2+]1 ZINC000630532769 412261817 /nfs/dbraw/zinc/26/18/17/412261817.db2.gz KOKSLZBHSIPRPN-YUMQZZPRSA-N 1 0 235.291 0.128 10 0 BCAERO N#Cc1ccc(N[C@@H]2CCC[C@@H]2C[NH3+])nn1 ZINC000397044814 412273933 /nfs/dbraw/zinc/27/39/33/412273933.db2.gz NSZTWSQYBVJRIV-PSASIEDQSA-N 1 0 217.276 0.888 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)N1CC[C@H]2COC[C@H]2C1 ZINC000662710120 412278657 /nfs/dbraw/zinc/27/86/57/412278657.db2.gz GQYVGJMGDAESLG-QJPTWQEYSA-N 1 0 240.347 0.855 10 0 BCAERO [NH3+][C@@H]1CC[C@H](C(=O)N2CC[C@@H]3COC[C@H]3C2)C1 ZINC000662711558 412279502 /nfs/dbraw/zinc/27/95/02/412279502.db2.gz OOEUHVUOCSMFDE-IRCOFANPSA-N 1 0 238.331 0.609 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC[C@@H]2COC[C@H]2C1 ZINC000662711803 412280019 /nfs/dbraw/zinc/28/00/19/412280019.db2.gz PAIBMZQHGWNSTK-DDHJBXDOSA-N 1 0 238.331 0.337 10 0 BCAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662723915 412284063 /nfs/dbraw/zinc/28/40/63/412284063.db2.gz JQSCXYHICAVJGV-SRVKXCTJSA-N 1 0 239.363 0.666 10 0 BCAERO CC(C)C[C@H](C[NH3+])Nc1ccc(C#N)nn1 ZINC000397038264 412286987 /nfs/dbraw/zinc/28/69/87/412286987.db2.gz HMBYHNMBDCIGAN-SNVBAGLBSA-N 1 0 219.292 1.134 10 0 BCAERO [NH3+][C@@H]1CCC[C@H](C(=O)N[C@@H]2CCC[C@@H](O)C2)C1 ZINC000218879187 412218887 /nfs/dbraw/zinc/21/88/87/412218887.db2.gz ADGCHWVWYSPGNK-IRCOFANPSA-N 1 0 240.347 0.924 10 0 BCAERO CCC[C@H]([NH3+])C(=O)NCC[C@@H](COC)OC ZINC000662617632 412242820 /nfs/dbraw/zinc/24/28/20/412242820.db2.gz OTUIKFYPHRNUEW-UWVGGRQHSA-N 1 0 232.324 0.282 10 0 BCAERO CO[C@H]1CCCN(C(=O)[C@H]2CC[NH2+]C2)CC1 ZINC000662835088 412314962 /nfs/dbraw/zinc/31/49/62/412314962.db2.gz KZOAISKKSKMJRA-QWRGUYRKSA-N 1 0 226.320 0.623 10 0 BCAERO CC(C)[C@@H](CO)NC(=O)[C@@H]1CC(F)(F)CN1 ZINC000662834410 412314985 /nfs/dbraw/zinc/31/49/85/412314985.db2.gz GZRAEIVHGXZMIY-JGVFFNPUSA-N 1 0 236.262 0.117 10 0 BCAERO CC[C@@H](C)N(CC)C(=O)[C@H]1C[NH2+]CCOC1 ZINC000662839525 412317104 /nfs/dbraw/zinc/31/71/04/412317104.db2.gz TVIFWAFTQSQFEC-MNOVXSKESA-N 1 0 228.336 0.869 10 0 BCAERO CC(C)C[C@@H]([NH3+])C(=O)NC/C=C\CO ZINC000662854514 412324143 /nfs/dbraw/zinc/32/41/43/412324143.db2.gz CENXINZVEOAAHY-ZBJFTSOASA-N 1 0 200.282 0.025 10 0 BCAERO CC(C)[C@@H]([NH3+])CC(=O)NC/C=C/CO ZINC000662858879 412326796 /nfs/dbraw/zinc/32/67/96/412326796.db2.gz JHFULXSWXJCZLQ-NWALNABHSA-N 1 0 200.282 0.025 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)NC/C=C/CO ZINC000662858878 412326895 /nfs/dbraw/zinc/32/68/95/412326895.db2.gz JHFULXSWXJCZLQ-CDAZIORVSA-N 1 0 200.282 0.025 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)N2CC3CC2(C[NH3+])C3)O1 ZINC000662874832 412331673 /nfs/dbraw/zinc/33/16/73/412331673.db2.gz ARHTUNXKBLOSNC-DKZWSVDFSA-N 1 0 224.304 0.504 10 0 BCAERO CCC([NH3+])(CC)CNc1ccc(C#N)nn1 ZINC000397047716 412337862 /nfs/dbraw/zinc/33/78/62/412337862.db2.gz QNMKNVABLPTLKC-UHFFFAOYSA-N 1 0 219.292 1.278 10 0 BCAERO O=C(NC1CC2(CCC2)C1)[C@H]1C[NH2+]CCOC1 ZINC000662906761 412340796 /nfs/dbraw/zinc/34/07/96/412340796.db2.gz QMSCOCWPRIFINF-JTQLQIEISA-N 1 0 238.331 0.671 10 0 BCAERO COC(=O)c1ccc(N[C@H](C)[C@@H](C)[NH3+])nc1C ZINC000381362693 412343542 /nfs/dbraw/zinc/34/35/42/412343542.db2.gz KSSNVWUBQNDFIZ-HTQZYQBOSA-N 1 0 237.303 1.324 10 0 BCAERO CCCC[C@@H](C[NH3+])Nc1ccc2nncn2n1 ZINC000420199215 412345296 /nfs/dbraw/zinc/34/52/96/412345296.db2.gz DRTQPDBRVAOXSS-VIFPVBQESA-N 1 0 234.307 1.054 10 0 BCAERO Cc1cn(C)nc1NC(=O)[C@@]1(C)CCC[NH2+]1 ZINC000662970883 412360566 /nfs/dbraw/zinc/36/05/66/412360566.db2.gz RSULKXDORNMRNX-LLVKDONJSA-N 1 0 222.292 0.809 10 0 BCAERO Cc1cn(C)nc1NC(=O)[C@H]1CC[NH2+]C1 ZINC000662970625 412360663 /nfs/dbraw/zinc/36/06/63/412360663.db2.gz NLKLBCPQPVMUEN-QMMMGPOBSA-N 1 0 208.265 0.277 10 0 BCAERO CN(C(=O)[C@@H]1CCCO1)[C@H](C[NH3+])C(F)(F)F ZINC000662978685 412361838 /nfs/dbraw/zinc/36/18/38/412361838.db2.gz RKKSFOBBEINTCO-NKWVEPMBSA-N 1 0 240.225 0.513 10 0 BCAERO CN(C(=O)c1cnccn1)[C@H](C[NH3+])C(F)(F)F ZINC000662982656 412363367 /nfs/dbraw/zinc/36/33/67/412363367.db2.gz WRHZKEAOWWSMBJ-SSDOTTSWSA-N 1 0 248.208 0.438 10 0 BCAERO C[NH2+]CCOCCNc1ccnc(C)n1 ZINC000630531456 412292048 /nfs/dbraw/zinc/29/20/48/412292048.db2.gz WZSZVPBAPSTCHF-UHFFFAOYSA-N 1 0 210.281 0.433 10 0 BCAERO CC(C)[NH2+]CCCNc1ccnc(N(C)C)n1 ZINC000568967697 412300426 /nfs/dbraw/zinc/30/04/26/412300426.db2.gz YCELVMQBYCNROS-UHFFFAOYSA-N 1 0 237.351 1.343 10 0 BCAERO COC[C@@H]([NH3+])C(=O)NC[C@@H](C)C1CC1 ZINC000132987462 412383743 /nfs/dbraw/zinc/38/37/43/412383743.db2.gz ZNLJOACMURMSNX-VXNVDRBHSA-N 1 0 200.282 0.122 10 0 BCAERO CCc1nsc(NC[C@@H]2C[NH2+]C[C@H]2O)n1 ZINC000663273093 412404421 /nfs/dbraw/zinc/40/44/21/412404421.db2.gz WRJQBDVEUOVABA-NKWVEPMBSA-N 1 0 228.321 0.093 10 0 BCAERO COc1cc(NCC23CC(C2)C[NH2+]3)ncn1 ZINC000663274059 412404625 /nfs/dbraw/zinc/40/46/25/412404625.db2.gz LXIQJFGNYAPTOY-UHFFFAOYSA-N 1 0 220.276 0.649 10 0 BCAERO C[NH2+]C[C@@H](C)Nc1nnnn1-c1ccccc1 ZINC000663280251 412408089 /nfs/dbraw/zinc/40/80/89/412408089.db2.gz GFVZOOXSODZWAS-SECBINFHSA-N 1 0 232.291 0.104 10 0 BCAERO C[NH2+]C[C@H](C)Nc1cn[nH]c(=O)c1Cl ZINC000663280255 412408332 /nfs/dbraw/zinc/40/83/32/412408332.db2.gz GGLPOYVCQMSGMA-YFKPBYRVSA-N 1 0 216.672 0.855 10 0 BCAERO CCc1nnc(C)cc1C(=O)N(C)C1C[NH2+]C1 ZINC000229201272 172045372 /nfs/dbraw/zinc/04/53/72/172045372.db2.gz QVFWMWITLYQLRL-UHFFFAOYSA-N 1 0 234.303 0.391 10 0 BCAERO CCc1nnc(CN2CC[NH2+]C[C@H]2C)o1 ZINC000054374269 172050581 /nfs/dbraw/zinc/05/05/81/172050581.db2.gz DZEXCJCSZFPEIG-MRVPVSSYSA-N 1 0 210.281 0.426 10 0 BCAERO CCc1nnc(CN2CC[C@H](CCO)C2)n1C ZINC000336688208 172050800 /nfs/dbraw/zinc/05/08/00/172050800.db2.gz GYNUZPZUGOZGGP-SNVBAGLBSA-N 1 0 238.335 0.582 10 0 BCAERO CCc1nnsc1CN1CC[NH2+]CC1 ZINC000082642043 172070842 /nfs/dbraw/zinc/07/08/42/172070842.db2.gz VGOKKVWIIUWHKN-UHFFFAOYSA-N 1 0 212.322 0.506 10 0 BCAERO CCn1c(C)nnc1[C@@H]1C[C@@H](OC)C[NH2+]1 ZINC000042030094 172141570 /nfs/dbraw/zinc/14/15/70/172141570.db2.gz VNXKEAICDRUKTI-BDAKNGLRSA-N 1 0 210.281 0.656 10 0 BCAERO CCn1c(=O)[nH]nc1SC[C@H]1CCC[NH2+]C1 ZINC000061606988 172147217 /nfs/dbraw/zinc/14/72/17/172147217.db2.gz UTIDDLAGGQJBOM-QMMMGPOBSA-N 1 0 242.348 0.683 10 0 BCAERO CCn1c(=O)[nH]nc1SCC1CC[NH2+]CC1 ZINC000061606985 172147468 /nfs/dbraw/zinc/14/74/68/172147468.db2.gz FXMNBWYLCWMZMX-UHFFFAOYSA-N 1 0 242.348 0.683 10 0 BCAERO CCn1cc(CN2CCC[NH2+][C@H](C)C2=O)cn1 ZINC000063215267 172163632 /nfs/dbraw/zinc/16/36/32/172163632.db2.gz RUOVYOQRRXYDQA-SNVBAGLBSA-N 1 0 236.319 0.613 10 0 BCAERO CCn1cc(C[N@@H+]2C[C@H](OC)C[C@@H]2CO)cn1 ZINC000344098821 172167907 /nfs/dbraw/zinc/16/79/07/172167907.db2.gz HOGLZMXYGHCBPQ-VXGBXAGGSA-N 1 0 239.319 0.485 10 0 BCAERO CCn1cc(Cl)c(C(=O)NCC[NH3+])n1 ZINC000002537874 172177201 /nfs/dbraw/zinc/17/72/01/172177201.db2.gz GARMYXGXJZVCGI-UHFFFAOYSA-N 1 0 216.672 0.245 10 0 BCAERO CCn1ccc(N2C[C@H](C[NH3+])OC2=O)c1 ZINC000073168996 172201654 /nfs/dbraw/zinc/20/16/54/172201654.db2.gz TZHOFPSKOIQYMJ-VIFPVBQESA-N 1 0 209.249 0.792 10 0 BCAERO CCn1cccc1C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000050245586 172203494 /nfs/dbraw/zinc/20/34/94/172203494.db2.gz NZEDMFSEDXQAPT-JTQLQIEISA-N 1 0 221.304 0.929 10 0 BCAERO CCn1cccc1C[NH2+]CC(=O)N(C)C ZINC000085608677 172207785 /nfs/dbraw/zinc/20/77/85/172207785.db2.gz YBTHMAANUPMYGC-UHFFFAOYSA-N 1 0 209.293 0.686 10 0 BCAERO CCn1ccnc(N2CC[C@@H](C[NH3+])C2)c1=O ZINC000061768217 172210390 /nfs/dbraw/zinc/21/03/90/172210390.db2.gz BXPCHNYFNFATIB-VIFPVBQESA-N 1 0 222.292 0.048 10 0 BCAERO CCn1ccnc(O[C@@H]2CCC[NH2+]C2)c1=O ZINC000061771813 172213733 /nfs/dbraw/zinc/21/37/33/172213733.db2.gz FLMOLGVVFURWOZ-SECBINFHSA-N 1 0 223.276 0.394 10 0 BCAERO CCn1ccnc1-n1ccnc1CC[NH3+] ZINC000052304626 172214081 /nfs/dbraw/zinc/21/40/81/172214081.db2.gz ZSPKCIMRYIMKRZ-UHFFFAOYSA-N 1 0 205.265 0.590 10 0 BCAERO CCn1ccnc1N1CCO[C@@H](C[NH3+])C1 ZINC000050607975 172225772 /nfs/dbraw/zinc/22/57/72/172225772.db2.gz JFESNFLRFGSYHF-VIFPVBQESA-N 1 0 210.281 0.067 10 0 BCAERO CCn1cc[nH+]c1N[C@@H]1CCCNC1=O ZINC000050614317 172228047 /nfs/dbraw/zinc/22/80/47/172228047.db2.gz KSEVUDCCFRQWLG-MRVPVSSYSA-N 1 0 208.265 0.594 10 0 BCAERO CCn1nccc1C[NH2+]CCc1nc(C)no1 ZINC000119091443 172271012 /nfs/dbraw/zinc/27/10/12/172271012.db2.gz QZOSKHXEBSSUPO-UHFFFAOYSA-N 1 0 235.291 0.927 10 0 BCAERO CCCN1CC[C@H]([NH2+]CC(C)(C)O)C1 ZINC000328172311 487624564 /nfs/dbraw/zinc/62/45/64/487624564.db2.gz KKENNVAXVDAPFD-JTQLQIEISA-N 1 0 200.326 0.831 10 0 BCAERO CN(C(=O)C1(C[NH3+])CC1)c1ccccn1 ZINC000082639838 172296510 /nfs/dbraw/zinc/29/65/10/172296510.db2.gz NMDGLHFYGSHKJP-UHFFFAOYSA-N 1 0 205.261 0.783 10 0 BCAERO CN(C(=O)C1CCOCC1)[C@@H]1CCC[NH2+]C1 ZINC000037470119 172299900 /nfs/dbraw/zinc/29/99/00/172299900.db2.gz UFINDTSISRLNBA-LLVKDONJSA-N 1 0 226.320 0.623 10 0 BCAERO CN(C(=O)C[NH2+][C@@H]1CN2CCC1CC2)C1CC1 ZINC000049304687 172309152 /nfs/dbraw/zinc/30/91/52/172309152.db2.gz OGEUXMGLKGESLQ-GFCCVEGCSA-N 1 0 237.347 0.291 10 0 BCAERO CN(C(=O)Cc1cccs1)[C@@H]1C[NH2+]C[C@H]1O ZINC000036261288 172315854 /nfs/dbraw/zinc/31/58/54/172315854.db2.gz JCCQRGXGTBTOGH-NXEZZACHSA-N 1 0 240.328 0.082 10 0 BCAERO CN(C(=O)[C@@H]1C[NH2+]CCO1)c1ccccn1 ZINC000043707817 172329278 /nfs/dbraw/zinc/32/92/78/172329278.db2.gz SNEDVKLFQRSQPB-VIFPVBQESA-N 1 0 221.260 0.033 10 0 BCAERO CN(C(=O)[C@H]1CC[NH2+]C1)c1ccccn1 ZINC000062112548 172333316 /nfs/dbraw/zinc/33/33/16/172333316.db2.gz QNVGMZXUXHEQGM-VIFPVBQESA-N 1 0 205.261 0.654 10 0 BCAERO CN(C(=O)[C@H]1CC[NH2+]C1)[C@H]1CCSC1 ZINC000062112740 172333519 /nfs/dbraw/zinc/33/35/19/172333519.db2.gz MDIINLQJYAEMAG-IUCAKERBSA-N 1 0 214.334 0.560 10 0 BCAERO CN(C(=O)[C@H]1Cc2ccccc2O1)C1C[NH2+]C1 ZINC000090289833 172336157 /nfs/dbraw/zinc/33/61/57/172336157.db2.gz XHALIDABXRIBKE-GFCCVEGCSA-N 1 0 232.283 0.420 10 0 BCAERO CN(C(=O)c1cccc(O)c1)[C@H]1CC[NH2+]C1 ZINC000037469794 172342678 /nfs/dbraw/zinc/34/26/78/172342678.db2.gz HZPASKOOGYYIGU-JTQLQIEISA-N 1 0 220.272 0.826 10 0 BCAERO CN(C(=O)c1ccccn1)C(C)(C)C[NH3+] ZINC000098168214 172343056 /nfs/dbraw/zinc/34/30/56/172343056.db2.gz ILJBJIHQKZVVFH-UHFFFAOYSA-N 1 0 207.277 0.891 10 0 BCAERO CN(C(=O)c1cn[nH]c1)[C@@H]1CCC[NH2+]C1 ZINC000037470103 172345263 /nfs/dbraw/zinc/34/52/63/172345263.db2.gz RJWQJEOHTLSEJM-SECBINFHSA-N 1 0 208.265 0.234 10 0 BCAERO CN(C)C(=O)CCNC(=O)C[NH2+]C1CCCC1 ZINC000037751282 172359058 /nfs/dbraw/zinc/35/90/58/172359058.db2.gz RVJDDSUVVMHOTA-UHFFFAOYSA-N 1 0 241.335 0.113 10 0 BCAERO CN(C)C(=O)CN(C)[C@@H](C[NH3+])c1ccccc1 ZINC000042899205 172362561 /nfs/dbraw/zinc/36/25/61/172362561.db2.gz HAXSCUFKCOFKSB-LBPRGKRZSA-N 1 0 235.331 0.706 10 0 BCAERO CN(C)C(=O)CN(C)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000040989228 172362809 /nfs/dbraw/zinc/36/28/09/172362809.db2.gz HDNXDYOECNPQHV-WDEREUQCSA-N 1 0 227.352 0.666 10 0 BCAERO CN(C)C(=O)CN(C)C(=O)C[C@H]1CCCC[NH2+]1 ZINC000037271819 172363145 /nfs/dbraw/zinc/36/31/45/172363145.db2.gz ZQODOYRTKSICDA-SNVBAGLBSA-N 1 0 241.335 0.065 10 0 BCAERO CN(C)C(=O)CN1CCC([NH2+]C2CC2)CC1 ZINC000037183762 172363630 /nfs/dbraw/zinc/36/36/30/172363630.db2.gz VJCCZNJAXLHXGR-UHFFFAOYSA-N 1 0 225.336 0.291 10 0 BCAERO CN(C)C(=O)CN(C)[C@H]1CCCCC[C@@H]1[NH3+] ZINC000040989230 172364004 /nfs/dbraw/zinc/36/40/04/172364004.db2.gz HDNXDYOECNPQHV-QWRGUYRKSA-N 1 0 227.352 0.666 10 0 BCAERO CN(C)C(=O)CN(C)c1ccc(F)cc1C[NH3+] ZINC000037271367 172364014 /nfs/dbraw/zinc/36/40/14/172364014.db2.gz VJDFLRHIEUCRGU-UHFFFAOYSA-N 1 0 239.294 0.809 10 0 BCAERO CN(C)C(=O)C[NH2+][C@@H]1CCCCC[C@@H]1O ZINC000037886636 172370448 /nfs/dbraw/zinc/37/04/48/172370448.db2.gz LKSURRHVEXGGQG-ZJUUUORDSA-N 1 0 214.309 0.358 10 0 BCAERO CN(C)C(=O)c1cc(NC[C@@H]([NH3+])C2CC2)ccn1 ZINC000104319593 172388910 /nfs/dbraw/zinc/38/89/10/172388910.db2.gz IUFUMKWRYMBEEM-LLVKDONJSA-N 1 0 248.330 0.933 10 0 BCAERO C[NH+](C)CCNC(=O)c1ccc(O)cc1 ZINC000019837313 172464455 /nfs/dbraw/zinc/46/44/55/172464455.db2.gz WWHWCXHBONPOCL-UHFFFAOYSA-N 1 0 208.261 0.684 10 0 BCAERO C[NH+](C)C[C@H]1CN(C[C@@H]2CCCO2)CCO1 ZINC000105925718 172497060 /nfs/dbraw/zinc/49/70/60/172497060.db2.gz DWIJGSAYIZXVFY-RYUDHWBXSA-N 1 0 228.336 0.428 10 0 BCAERO C[NH+](C)[C@@H]1CC[C@@H](NC(=O)[C@H]2COCCO2)C1 ZINC000337144609 172528834 /nfs/dbraw/zinc/52/88/34/172528834.db2.gz HGFMAAYZGJDSBO-GMTAPVOTSA-N 1 0 242.319 0.001 10 0 BCAERO CN(CC(=O)NC1CC1)[C@@H]1CCC[C@@H]1[NH3+] ZINC000042691915 172608603 /nfs/dbraw/zinc/60/86/03/172608603.db2.gz WNIVUNHLLFPMMM-VHSXEESVSA-N 1 0 211.309 0.077 10 0 BCAERO CN(CC(=O)c1ccc[nH]1)C[C@@H]1CCC[NH2+]1 ZINC000095070992 172619786 /nfs/dbraw/zinc/61/97/86/172619786.db2.gz YUTDAJWBDAHTPW-JTQLQIEISA-N 1 0 221.304 0.881 10 0 BCAERO CN(CC(C)(C)C[NH3+])c1ncnc2c1cnn2C ZINC000093874725 172624957 /nfs/dbraw/zinc/62/49/57/172624957.db2.gz ZUQXAZWRMFCVHR-UHFFFAOYSA-N 1 0 248.334 0.784 10 0 BCAERO C[N@H+](CCn1cccn1)[C@@H]1CCC[C@@H]1O ZINC000352662032 172799929 /nfs/dbraw/zinc/79/99/29/172799929.db2.gz ZVPQAXIEMJPNMZ-MNOVXSKESA-N 1 0 209.293 0.728 10 0 BCAERO CN(C[C@@H]1CCC[NH2+]C1)C(=O)c1cnccn1 ZINC000095071042 172809719 /nfs/dbraw/zinc/80/97/19/172809719.db2.gz QWUSSHLFLYGYTO-SNVBAGLBSA-N 1 0 234.303 0.548 10 0 BCAERO CN(C[C@H]1CCCO1)C(=O)[C@H]1CCC[NH2+]1 ZINC000042465741 172829198 /nfs/dbraw/zinc/82/91/98/172829198.db2.gz FINDSVZXDARJFN-NXEZZACHSA-N 1 0 212.293 0.376 10 0 BCAERO CN(Cc1ccc(Cl)nn1)[C@H]1CC[NH2+]C1 ZINC000095070746 172851563 /nfs/dbraw/zinc/85/15/63/172851563.db2.gz YMCBJESUKVQKSL-VIFPVBQESA-N 1 0 226.711 0.924 10 0 BCAERO CN(Cc1ccoc1)C(=O)[C@H]1CCC[NH2+]1 ZINC000042362113 172903072 /nfs/dbraw/zinc/90/30/72/172903072.db2.gz PVXUSDHKVIFCKO-SNVBAGLBSA-N 1 0 208.261 0.990 10 0 BCAERO CN(c1ccc(C(N)=O)cn1)[C@H]1CCC[NH2+]C1 ZINC000104361557 172946542 /nfs/dbraw/zinc/94/65/42/172946542.db2.gz VHFJSXBVQOFKHS-JTQLQIEISA-N 1 0 234.303 0.369 10 0 BCAERO CN1C(=O)Cc2cc([C@H](O)[C@@H]3CCC[NH2+]3)ccc21 ZINC000062534882 172967730 /nfs/dbraw/zinc/96/77/30/172967730.db2.gz NEGNTGXNKMEYCF-FZMZJTMJSA-N 1 0 246.310 0.991 10 0 BCAERO CN1CCCC[C@@H]1C[NH2+]Cc1cn[nH]c1 ZINC000054243271 173004160 /nfs/dbraw/zinc/00/41/60/173004160.db2.gz KOTHEPWBTCUQKF-LLVKDONJSA-N 1 0 208.309 0.984 10 0 BCAERO CN1CCCC[C@@H]1C[NH2+]C[C@@H]1COCCO1 ZINC000054243349 173005813 /nfs/dbraw/zinc/00/58/13/173005813.db2.gz VZIVGYXRBPNWBB-VXGBXAGGSA-N 1 0 228.336 0.476 10 0 BCAERO C[N@@H+]1CCCC[C@@H]1CCN1CCO[C@H](CO)C1 ZINC000126890747 173005987 /nfs/dbraw/zinc/00/59/87/173005987.db2.gz FWJYCPMOYAGLKY-OLZOCXBDSA-N 1 0 242.363 0.554 10 0 BCAERO C[N@@H+]1CCCN(Cc2csc(N)n2)CC1 ZINC000036732541 173018398 /nfs/dbraw/zinc/01/83/98/173018398.db2.gz ZCFARJPSCKVPJQ-UHFFFAOYSA-N 1 0 226.349 0.863 10 0 BCAERO C[N@@H+]1CCC[C@H](CNCc2cnccn2)C1 ZINC000054766703 173041782 /nfs/dbraw/zinc/04/17/82/173041782.db2.gz VTIMIUKGZPAZMF-LLVKDONJSA-N 1 0 220.320 0.908 10 0 BCAERO C[N@@H+]1CCC[C@H](CNCc2ccncn2)C1 ZINC000054789848 173042643 /nfs/dbraw/zinc/04/26/43/173042643.db2.gz TYANFGAGWUXIBE-LLVKDONJSA-N 1 0 220.320 0.908 10 0 BCAERO C[N@@H+]1CCC[C@H](OC(=O)CCN2CC2)C1 ZINC000003614357 173045975 /nfs/dbraw/zinc/04/59/75/173045975.db2.gz PIPOFPHKPVIVHJ-JTQLQIEISA-N 1 0 212.293 0.330 10 0 BCAERO CN1CCC[C@H]([NH2+]C2CCS(=O)CC2)C1 ZINC000042354154 173046383 /nfs/dbraw/zinc/04/63/83/173046383.db2.gz VCRDODCOHQVKMO-VTWZXRTESA-N 1 0 230.377 0.581 10 0 BCAERO C[N@@H+]1CCC[C@H]1CCN1CCO[C@H](CO)C1 ZINC000336667729 173053682 /nfs/dbraw/zinc/05/36/82/173053682.db2.gz GUPFWWUNIXICCB-RYUDHWBXSA-N 1 0 228.336 0.164 10 0 BCAERO CN1CCO[C@@H](C[NH2+]Cc2cccnc2)C1 ZINC000082432931 173102167 /nfs/dbraw/zinc/10/21/67/173102167.db2.gz OWLGHAXKWIBXHX-LBPRGKRZSA-N 1 0 221.304 0.502 10 0 BCAERO C[N@@H+]1CC[C@@H](CNCC(=O)N2CCCCC2)C1 ZINC000037647440 173115696 /nfs/dbraw/zinc/11/56/96/173115696.db2.gz NUCOUSAZVBSEHI-LBPRGKRZSA-N 1 0 239.363 0.540 10 0 BCAERO C[N@@H+]1CC[C@@H](CNCc2ccncn2)C1 ZINC000054789578 173117222 /nfs/dbraw/zinc/11/72/22/173117222.db2.gz VHSJWYTWUXOOBC-JTQLQIEISA-N 1 0 206.293 0.518 10 0 BCAERO C[N@@H+]1CC[C@@H](CNCc2cnccn2)C1 ZINC000054766434 173117935 /nfs/dbraw/zinc/11/79/35/173117935.db2.gz BZLQYYSIUKOROX-JTQLQIEISA-N 1 0 206.293 0.518 10 0 BCAERO C[N@@H+]1CC[C@@H](N2C(=O)c3cccc(N)c3C2=O)C1 ZINC000042547923 173119574 /nfs/dbraw/zinc/11/95/74/173119574.db2.gz TUBLEXPANQGKMP-MRVPVSSYSA-N 1 0 245.282 0.569 10 0 BCAERO C[N@@H+]1CC[C@@H](N2C(=O)c3ccc(N)cc3C2=O)C1 ZINC000042547917 173119643 /nfs/dbraw/zinc/11/96/43/173119643.db2.gz CEEOVYVHDFLPLQ-SECBINFHSA-N 1 0 245.282 0.569 10 0 BCAERO Cn1cc([C@@H]2CC[N@@H+]([C@@H]3CCN(C)C3=O)C2)cn1 ZINC000116311661 173120597 /nfs/dbraw/zinc/12/05/97/173120597.db2.gz GJVCEVFRNBNQFN-ZYHUDNBSSA-N 1 0 248.330 0.440 10 0 BCAERO C[N@@H+]1CC[C@@H](NC(=O)CNc2ccccc2)C1 ZINC000042549110 173122150 /nfs/dbraw/zinc/12/21/50/173122150.db2.gz DNAGNWUXKWSFPV-GFCCVEGCSA-N 1 0 233.315 0.919 10 0 BCAERO CN(C)C(=O)c1cc(N[C@@H]2CC[N@H+](C)C2)ccn1 ZINC000042548084 173125800 /nfs/dbraw/zinc/12/58/00/173125800.db2.gz FGVOYQMBDPYGHZ-LLVKDONJSA-N 1 0 248.330 0.899 10 0 BCAERO C[N@@H+]1CC[C@@H](Nc2ncccc2C(N)=O)C1 ZINC000042548226 173126384 /nfs/dbraw/zinc/12/63/84/173126384.db2.gz INXDSYVNSKJFCR-MRVPVSSYSA-N 1 0 220.276 0.297 10 0 BCAERO CN(C)C(=O)c1cc(N[C@H]2CC[N@H+](C)C2)ccn1 ZINC000042548081 173156245 /nfs/dbraw/zinc/15/62/45/173156245.db2.gz FGVOYQMBDPYGHZ-NSHDSACASA-N 1 0 248.330 0.899 10 0 BCAERO CN1CC[C@](C[NH3+])(N2CCSCC2)C1 ZINC000061990125 173162655 /nfs/dbraw/zinc/16/26/55/173162655.db2.gz HDOOJYKVYICFDV-SNVBAGLBSA-N 1 0 215.366 0.068 10 0 BCAERO C[N@@H+]1CC[C@](NCc2cccs2)(C(N)=O)C1 ZINC000061991068 173163157 /nfs/dbraw/zinc/16/31/57/173163157.db2.gz LTOXVXDQSXYGTD-LLVKDONJSA-N 1 0 239.344 0.397 10 0 BCAERO CN1CCc2cc(C[C@@H](C[NH3+])C(N)=O)ccc21 ZINC000050285960 173169331 /nfs/dbraw/zinc/16/93/31/173169331.db2.gz BNZCRSRWHGJPJW-NSHDSACASA-N 1 0 233.315 0.282 10 0 BCAERO CN1C[C@](C[NH3+])(c2cccs2)CC1=O ZINC000077304128 173199617 /nfs/dbraw/zinc/19/96/17/173199617.db2.gz BRTUMJGVKDWSSN-JTQLQIEISA-N 1 0 210.302 0.807 10 0 BCAERO CN1c2cccc(O)c2C[C@H]1C1=[NH+]CCN1 ZINC000028089639 173208969 /nfs/dbraw/zinc/20/89/69/173208969.db2.gz VBDVEGQPLQWHBH-JTQLQIEISA-N 1 0 217.272 0.755 10 0 BCAERO CNC(=O)C1CCN([C@@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000062948814 173224536 /nfs/dbraw/zinc/22/45/36/173224536.db2.gz LUPAQDIZXSVBQK-ZYHUDNBSSA-N 1 0 239.363 0.585 10 0 BCAERO CNC(=O)C1CN(Cc2cnc(Cl)s2)C1 ZINC000274555375 173227777 /nfs/dbraw/zinc/22/77/77/173227777.db2.gz YOGUBSUJOWPFBH-UHFFFAOYSA-N 1 0 245.735 0.974 10 0 BCAERO CNC(=O)CCN1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000051761684 173252736 /nfs/dbraw/zinc/25/27/36/173252736.db2.gz NBRWBMXMVBWOSJ-WDEREUQCSA-N 1 0 225.336 0.339 10 0 BCAERO CNC(=O)CN(C)[C@H](C[NH3+])c1cccc(C)c1 ZINC000042966094 173269710 /nfs/dbraw/zinc/26/97/10/173269710.db2.gz DTDKTYFFQMCGPV-GFCCVEGCSA-N 1 0 235.331 0.673 10 0 BCAERO CNC(=O)CN(C)Cc1ccc(C[NH3+])cc1F ZINC000037270112 173270888 /nfs/dbraw/zinc/27/08/88/173270888.db2.gz UZIBFLRZESNSGS-UHFFFAOYSA-N 1 0 239.294 0.462 10 0 BCAERO CNC(=O)CN(C)[C@H](c1ccccc1)[C@H](C)[NH3+] ZINC000042901196 173272118 /nfs/dbraw/zinc/27/21/18/173272118.db2.gz VXLVASUWAZYZEY-GWCFXTLKSA-N 1 0 235.331 0.753 10 0 BCAERO CNC(=O)CNCCC[N@H+](C)C1CCCCC1 ZINC000037901272 173276803 /nfs/dbraw/zinc/27/68/03/173276803.db2.gz LSBVBCQSAMJPMA-UHFFFAOYSA-N 1 0 241.379 0.977 10 0 BCAERO CNC(=O)CNC1CC[NH+](C(C)C)CC1 ZINC000037207409 173277098 /nfs/dbraw/zinc/27/70/98/173277098.db2.gz RVUSCAMOFBTCMJ-UHFFFAOYSA-N 1 0 213.325 0.195 10 0 BCAERO CNC(=O)CN[C@@H](C)[C@H]1CCC[N@H+](C)C1 ZINC000037224640 173277395 /nfs/dbraw/zinc/27/73/95/173277395.db2.gz ZMPNSWAFDMOSMO-UWVGGRQHSA-N 1 0 213.325 0.052 10 0 BCAERO CNC(=O)C[NH2+][C@@H]1CCc2c1cccc2O ZINC000036852705 173277861 /nfs/dbraw/zinc/27/78/61/173277861.db2.gz VKBHYYMRWILYAQ-SNVBAGLBSA-N 1 0 220.272 0.715 10 0 BCAERO CNC(=O)C[NH2+][C@H](C)c1ccc(O)c(OC)c1 ZINC000037224793 173278662 /nfs/dbraw/zinc/27/86/62/173278662.db2.gz SIUJZZKPGDDNKR-MRVPVSSYSA-N 1 0 238.287 0.797 10 0 BCAERO CNC(=O)C[NH2+][C@H]1CCOc2ccccc21 ZINC000084585615 173278781 /nfs/dbraw/zinc/27/87/81/173278781.db2.gz OWRICFYAQDYOFH-JTQLQIEISA-N 1 0 220.272 0.846 10 0 BCAERO CNC(=O)Cn1c(C)c(C)c2c1ncnc2N ZINC000037225139 173284237 /nfs/dbraw/zinc/28/42/37/173284237.db2.gz XTVIVHQSVMJMRU-UHFFFAOYSA-N 1 0 233.275 0.376 10 0 BCAERO CNC(=O)NC(=O)[C@@H](C)[NH2+]CC(C)C ZINC000020303139 173288435 /nfs/dbraw/zinc/28/84/35/173288435.db2.gz GZOKUVYEIIPONN-SSDOTTSWSA-N 1 0 201.270 0.076 10 0 BCAERO CNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1CCC[C@H](C)C1 ZINC000037255236 173288548 /nfs/dbraw/zinc/28/85/48/173288548.db2.gz TZGHWHQHZWMSSN-GUBZILKMSA-N 1 0 241.335 0.999 10 0 BCAERO CNC(=O)NC(=O)[C@H](C)[NH2+]C1CCCC1 ZINC000020303160 173288710 /nfs/dbraw/zinc/28/87/10/173288710.db2.gz AMWIELMQNHMNOV-ZETCQYMHSA-N 1 0 213.281 0.363 10 0 BCAERO CNC(=O)Nc1ccc(NC(=O)C[NH3+])cc1 ZINC000037040965 173293031 /nfs/dbraw/zinc/29/30/31/173293031.db2.gz GVIJCTFBJWNNQQ-UHFFFAOYSA-N 1 0 222.248 0.335 10 0 BCAERO CNC(=O)[C@@H](C)NC(=O)c1cccc(CC[NH3+])c1 ZINC000053662519 173294692 /nfs/dbraw/zinc/29/46/92/173294692.db2.gz XWLKCSINKPFDFS-SECBINFHSA-N 1 0 249.314 0.052 10 0 BCAERO CNC(=O)[C@@H](C)[NH2+]Cc1ccc(C)nc1 ZINC000062053167 173295028 /nfs/dbraw/zinc/29/50/28/173295028.db2.gz SYDUHKVBUFAKLD-SECBINFHSA-N 1 0 207.277 0.614 10 0 BCAERO CNC(=O)[C@@H](C)[NH2+]CC(=O)NC1CCCCC1 ZINC000042570007 173295200 /nfs/dbraw/zinc/29/52/00/173295200.db2.gz FBTQRIBUYYSHQH-SECBINFHSA-N 1 0 241.335 0.159 10 0 BCAERO CNC(=O)[C@@H](C)[NH2+]C[C@H](O)c1ccc(F)cc1 ZINC000042562610 173295202 /nfs/dbraw/zinc/29/52/02/173295202.db2.gz LGMUDRHNQDMXMW-KCJUWKMLSA-N 1 0 240.278 0.583 10 0 BCAERO CNC(=O)[C@@H](C)[NH2+]CC(=O)NCc1ccccc1 ZINC000037908845 173295245 /nfs/dbraw/zinc/29/52/45/173295245.db2.gz TWSYDCQNMIXOKX-SNVBAGLBSA-N 1 0 249.314 0.027 10 0 BCAERO CNC(=O)[C@@H](CC(C)C)NC(=O)C[NH2+]C1CC1 ZINC000037609214 173296230 /nfs/dbraw/zinc/29/62/30/173296230.db2.gz QNZWKMJFORBARY-SNVBAGLBSA-N 1 0 241.335 0.015 10 0 BCAERO CNC(=O)[C@@H]1CCCN1C[C@H]([NH3+])c1ccccc1 ZINC000104316217 173298841 /nfs/dbraw/zinc/29/88/41/173298841.db2.gz QZDDPWVLXMDCNQ-STQMWFEESA-N 1 0 247.342 0.897 10 0 BCAERO CNC(=O)[C@H](C)[NH2+]Cc1ccc(C(=O)OC)[nH]1 ZINC000093085264 173302814 /nfs/dbraw/zinc/30/28/14/173302814.db2.gz OQGIQTSSSDHXNO-ZETCQYMHSA-N 1 0 239.275 0.025 10 0 BCAERO CNC(=O)[C@H](C)OC[C@@H]1CCCC[NH2+]1 ZINC000051815780 173304331 /nfs/dbraw/zinc/30/43/31/173304331.db2.gz ULWNINFQQIZIIM-IUCAKERBSA-N 1 0 200.282 0.280 10 0 BCAERO CNC(=O)[C@H](CC(C)C)NC(=O)C[NH2+]C(C)C ZINC000037609850 173304724 /nfs/dbraw/zinc/30/47/24/173304724.db2.gz JTBICKAIPCBTCA-JTQLQIEISA-N 1 0 243.351 0.261 10 0 BCAERO CNC(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000034102261 173304780 /nfs/dbraw/zinc/30/47/80/173304780.db2.gz STYQZLQWIUWXDE-NSHDSACASA-N 1 0 206.289 0.905 10 0 BCAERO CNC(=O)[C@H]1CCCN1c1cc(N)cc[nH+]1 ZINC000043569246 173307553 /nfs/dbraw/zinc/30/75/53/173307553.db2.gz PCMHEAXTKLWDRI-SECBINFHSA-N 1 0 220.276 0.379 10 0 BCAERO CNC(=O)[C@H]1CCCN1c1ncccc1C[NH3+] ZINC000042390735 173307690 /nfs/dbraw/zinc/30/76/90/173307690.db2.gz WOXMYKXGTGGTSG-SNVBAGLBSA-N 1 0 234.303 0.255 10 0 BCAERO CNC(=O)[C@H]1CCCN1[C@H](C[NH3+])C(C)(C)C ZINC000043293999 173307900 /nfs/dbraw/zinc/30/79/00/173307900.db2.gz RPPHSGCLCOSXMO-NXEZZACHSA-N 1 0 227.352 0.570 10 0 BCAERO CNC(=O)c1cc(N[C@H]2CC[NH2+]C2)ccn1 ZINC000052093769 173309811 /nfs/dbraw/zinc/30/98/11/173309811.db2.gz MXHAUPKYQQEPHB-VIFPVBQESA-N 1 0 220.276 0.215 10 0 BCAERO CNC(=O)c1ccc(OC2CC2)c(C[NH3+])n1 ZINC000095738190 173311208 /nfs/dbraw/zinc/31/12/08/173311208.db2.gz NTGMMGCGLPVJHA-UHFFFAOYSA-N 1 0 221.260 0.441 10 0 BCAERO C[NH2+]C(C)(C)C(=O)N[C@@H]1CCC[C@@H]1OC ZINC000061319159 173318388 /nfs/dbraw/zinc/31/83/88/173318388.db2.gz WOHOPIXAIWLNQW-BDAKNGLRSA-N 1 0 214.309 0.668 10 0 BCAERO C[NH2+]C(C)(C)C(=O)N[C@H](CO)c1ccccc1 ZINC000063003587 173318405 /nfs/dbraw/zinc/31/84/05/173318405.db2.gz QXPVLFIAAHZEBY-LLVKDONJSA-N 1 0 236.315 0.834 10 0 BCAERO C[NH2+]C(C)(C)C(=O)N[C@H]1CCC[C@H]1OC ZINC000061319165 173318421 /nfs/dbraw/zinc/31/84/21/173318421.db2.gz WOHOPIXAIWLNQW-DTWKUNHWSA-N 1 0 214.309 0.668 10 0 BCAERO C[NH2+]C(C)(C)C(=O)N1CCO[C@@H]2CCC[C@@H]21 ZINC000061318979 173318447 /nfs/dbraw/zinc/31/84/47/173318447.db2.gz ICHFUBBTECJUJL-VHSXEESVSA-N 1 0 226.320 0.764 10 0 BCAERO C[NH2+]C(C)(C)C(=O)N1CCOC(C)(C)C1 ZINC000061300550 173318596 /nfs/dbraw/zinc/31/85/96/173318596.db2.gz ZTIFQJMMHFQFHO-UHFFFAOYSA-N 1 0 214.309 0.622 10 0 BCAERO C[NH2+]C1CCC(NC(=O)c2ccon2)CC1 ZINC000044585965 173321860 /nfs/dbraw/zinc/32/18/60/173321860.db2.gz OHFGAASJRDYIDM-UHFFFAOYSA-N 1 0 223.276 0.935 10 0 BCAERO C[NH2+]C1CCC(N2C(=O)C=CC2=O)CC1 ZINC000085873664 173322119 /nfs/dbraw/zinc/32/21/19/173322119.db2.gz YPBLUCKVGICXJU-UHFFFAOYSA-N 1 0 208.261 0.442 10 0 BCAERO C[NH2+]C1CCN(Cc2nc(C)no2)CC1 ZINC000044994855 173322689 /nfs/dbraw/zinc/32/26/89/173322689.db2.gz KOFZCZSTWNNMIE-UHFFFAOYSA-N 1 0 210.281 0.562 10 0 BCAERO C[NH2+]C1CCN(CC(=O)c2ccc[nH]2)CC1 ZINC000095071513 173322799 /nfs/dbraw/zinc/32/27/99/173322799.db2.gz IIHPFULUSQBSQC-UHFFFAOYSA-N 1 0 221.304 0.881 10 0 BCAERO C[NH2+]C1CCN(CC(=O)c2ccccn2)CC1 ZINC000095071516 173322896 /nfs/dbraw/zinc/32/28/96/173322896.db2.gz JNZSGOVZKXBIJF-UHFFFAOYSA-N 1 0 233.315 0.948 10 0 BCAERO C[NH2+]C1CCN(C(=O)c2cnn(C)c2)CC1 ZINC000037469203 173322933 /nfs/dbraw/zinc/32/29/33/173322933.db2.gz XPEVYZWFISHQEE-UHFFFAOYSA-N 1 0 222.292 0.244 10 0 BCAERO C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2CC(=O)OC ZINC000054601440 173323611 /nfs/dbraw/zinc/32/36/11/173323611.db2.gz IPCGCQZLEOZZFF-FGWVZKOKSA-N 1 0 226.320 0.764 10 0 BCAERO C[NH2+]C1C[C@H]2CC[C@@H](C1)N2CCNC(C)=O ZINC000054628133 173323997 /nfs/dbraw/zinc/32/39/97/173323997.db2.gz PHQAZTYDJVCZMV-YOGCLGLASA-N 1 0 225.336 0.337 10 0 BCAERO C[NH2+]C1C[C@H]2CC[C@@H](C1)N2[C@H](C)C(=O)N(C)C ZINC000054629731 173324192 /nfs/dbraw/zinc/32/41/92/173324192.db2.gz GULJEKFHIWFNBN-WAAKLRNESA-N 1 0 239.363 0.678 10 0 BCAERO C[NH2+]C1CCN(S(=O)(=O)N2CCCC2)CC1 ZINC000037469292 173324332 /nfs/dbraw/zinc/32/43/32/173324332.db2.gz IFIJLIDAFOLTIA-UHFFFAOYSA-N 1 0 247.364 0.011 10 0 BCAERO C[NH2+]CC(=O)N(C)OCc1ccccc1 ZINC000193136441 173325381 /nfs/dbraw/zinc/32/53/81/173325381.db2.gz PZHZUZCDMOBMIY-UHFFFAOYSA-N 1 0 208.261 0.796 10 0 BCAERO C[NH2+]CC(=O)N1CCC[C@@H]1c1ccc[nH]1 ZINC000037819566 173326025 /nfs/dbraw/zinc/32/60/25/173326025.db2.gz WDJIOIIXRAWUPG-SNVBAGLBSA-N 1 0 207.277 0.898 10 0 BCAERO C[NH2+]CC(=O)N1CCOC[C@H]1c1ccc(C)o1 ZINC000193130670 173326591 /nfs/dbraw/zinc/32/65/91/173326591.db2.gz VTZARYYSXQVATB-JTQLQIEISA-N 1 0 238.287 0.707 10 0 BCAERO C[NH2+]CC(=O)N1CC[C@H](OCCC(C)C)C1 ZINC000237192669 173327545 /nfs/dbraw/zinc/32/75/45/173327545.db2.gz LBOBOAQPHUKFIY-NSHDSACASA-N 1 0 228.336 0.869 10 0 BCAERO C[NH2+]CC(=O)NCCN(C)c1ccccc1F ZINC000077384726 173329674 /nfs/dbraw/zinc/32/96/74/173329674.db2.gz XGCKBIYCUHCWAN-UHFFFAOYSA-N 1 0 239.294 0.598 10 0 BCAERO C[NH2+]CC(=O)NC[C@@H](O)c1cccc(C)c1 ZINC000193133853 173329756 /nfs/dbraw/zinc/32/97/56/173329756.db2.gz VABTYBIDFFNPNJ-LLVKDONJSA-N 1 0 222.288 0.364 10 0 BCAERO C[NH2+]CC(=O)N[C@H](C)Cc1ccc(O)cc1 ZINC000193134757 173332194 /nfs/dbraw/zinc/33/21/94/173332194.db2.gz NFPUEAVMBDHGBS-SECBINFHSA-N 1 0 222.288 0.659 10 0 BCAERO C[NH2+]CC(=O)N[C@H]1CCO[C@H]1c1ccccc1 ZINC000161622673 173332657 /nfs/dbraw/zinc/33/26/57/173332657.db2.gz IQOMVAJSNXHZGD-AAEUAGOBSA-N 1 0 234.299 0.852 10 0 BCAERO C[NH2+]CC(=O)Nc1ccccc1[C@@H](C)O ZINC000049547329 173334781 /nfs/dbraw/zinc/33/47/81/173334781.db2.gz QNHDRQMZHCGCKI-MRVPVSSYSA-N 1 0 208.261 0.898 10 0 BCAERO C[NH2+]CC(=O)Nc1cccc2n[nH]cc21 ZINC000037769580 173335010 /nfs/dbraw/zinc/33/50/10/173335010.db2.gz HNPVNUCHTHIQLG-UHFFFAOYSA-N 1 0 204.233 0.721 10 0 BCAERO C[NH2+]CCCC(=O)N(CCOC)[C@H](C)COC ZINC000042610263 173343110 /nfs/dbraw/zinc/34/31/10/173343110.db2.gz ZVSZFUVHQKOYEJ-LLVKDONJSA-N 1 0 246.351 0.496 10 0 BCAERO C[NH2+]CCCC(=O)N[C@@H](C)[C@@H]1CCCO1 ZINC000037477726 173344761 /nfs/dbraw/zinc/34/47/61/173344761.db2.gz ZUPWKHJGPIPRKS-UWVGGRQHSA-N 1 0 214.309 0.670 10 0 BCAERO C[NH2+]CCCN(C1CCCC1)S(C)(=O)=O ZINC000076617310 173346740 /nfs/dbraw/zinc/34/67/40/173346740.db2.gz UDGBYJZTMMNXMX-UHFFFAOYSA-N 1 0 234.365 0.800 10 0 BCAERO C[NH2+]CCCOCc1ccc2[nH]c(=O)[nH]c2c1 ZINC000077370931 173349759 /nfs/dbraw/zinc/34/97/59/173349759.db2.gz WKSKAFBUMLDXLV-UHFFFAOYSA-N 1 0 235.287 0.982 10 0 BCAERO C[NH2+]CCn1cnc2ccsc2c1=O ZINC000042410345 173361600 /nfs/dbraw/zinc/36/16/00/173361600.db2.gz XRRKGRMJNUNWPE-UHFFFAOYSA-N 1 0 209.274 0.677 10 0 BCAERO C[NH2+]CCn1cc(Br)ccc1=O ZINC000042410005 173361932 /nfs/dbraw/zinc/36/19/32/173361932.db2.gz KWLWHIYJMHODGE-UHFFFAOYSA-N 1 0 231.093 0.830 10 0 BCAERO C[NH2+]CCc1noc(-c2cnoc2C)n1 ZINC000051850801 173362062 /nfs/dbraw/zinc/36/20/62/173362062.db2.gz PGLSLWSFSFGPBA-UHFFFAOYSA-N 1 0 208.221 0.795 10 0 BCAERO C[NH2+]CCc1noc(-c2cc(C)no2)n1 ZINC000051850955 173362211 /nfs/dbraw/zinc/36/22/11/173362211.db2.gz FTCUHSLLYOEHRQ-UHFFFAOYSA-N 1 0 208.221 0.795 10 0 BCAERO C[NH2+]CCc1noc([C@H]2CCCOC2)n1 ZINC000062243572 173362221 /nfs/dbraw/zinc/36/22/21/173362221.db2.gz FPKSTXVUUQBSFV-QMMMGPOBSA-N 1 0 211.265 0.726 10 0 BCAERO C[NH2+]C[C@@H](C)C(=O)NCC[S@@](=O)C(C)(C)C ZINC000237197972 173362885 /nfs/dbraw/zinc/36/28/85/173362885.db2.gz ILRPTVZJGKMWDV-JDNHERCYSA-N 1 0 248.392 0.505 10 0 BCAERO C[NH2+]C[C@@H](C)CN1CCOC(C)(C)C1 ZINC000052481755 173364224 /nfs/dbraw/zinc/36/42/24/173364224.db2.gz QUVHBUBKCBBZAS-SNVBAGLBSA-N 1 0 200.326 0.953 10 0 BCAERO C[NH2+]C[C@@H](O)CSc1nccn1C ZINC000019865083 173365714 /nfs/dbraw/zinc/36/57/14/173365714.db2.gz COQPOLUVNALALK-SSDOTTSWSA-N 1 0 201.295 0.093 10 0 BCAERO C[NH2+]C[C@@H](c1cccnc1)N1CCOCC1 ZINC000023292483 173367140 /nfs/dbraw/zinc/36/71/40/173367140.db2.gz FXECCSGVHLYOKI-LBPRGKRZSA-N 1 0 221.304 0.674 10 0 BCAERO C[NH2+]C[C@@H]1CCCN(Cc2ncon2)C1 ZINC000040601276 173368132 /nfs/dbraw/zinc/36/81/32/173368132.db2.gz BTFFIDRUAQSEIS-VIFPVBQESA-N 1 0 210.281 0.501 10 0 BCAERO C[NH2+]C[C@@H]1CCCN1c1cc(C)ncn1 ZINC000053703962 173370122 /nfs/dbraw/zinc/37/01/22/173370122.db2.gz NJRLNYLKOZEAHA-JTQLQIEISA-N 1 0 206.293 0.973 10 0 BCAERO C[NH2+]C[C@@H]1CCN(Cc2ccnc(C)n2)C1 ZINC000053034033 173370699 /nfs/dbraw/zinc/37/06/99/173370699.db2.gz IHWUBZMNGUBFET-NSHDSACASA-N 1 0 220.320 0.826 10 0 BCAERO C[NH2+]C[C@@H]1CN(Cc2ccccn2)CCO1 ZINC000071523391 173371677 /nfs/dbraw/zinc/37/16/77/173371677.db2.gz CCZKINFORCBHMU-GFCCVEGCSA-N 1 0 221.304 0.502 10 0 BCAERO C[NH2+]C[C@@H]1CN(Cc2ccco2)CCO1 ZINC000071512206 173371887 /nfs/dbraw/zinc/37/18/87/173371887.db2.gz IPNAFEVRMBCCAC-LLVKDONJSA-N 1 0 210.277 0.700 10 0 BCAERO C[NH2+]C[C@H](C)C(=O)N1CCCC[C@H]1C(=O)OC ZINC000092134291 173373251 /nfs/dbraw/zinc/37/32/51/173373251.db2.gz BUVAFDSSHVGSPP-UWVGGRQHSA-N 1 0 242.319 0.396 10 0 BCAERO C[NH2+]C[C@H](C)C(=O)N[C@@H]1CCO[C@H]1C ZINC000134255505 173374809 /nfs/dbraw/zinc/37/48/09/173374809.db2.gz HNTUFJZCMOPJCN-XHNCKOQMSA-N 1 0 200.282 0.136 10 0 BCAERO C[NH2+]C[C@H](C)C(=O)N[C@@H]1CCO[C@@H]1C ZINC000134255477 173374828 /nfs/dbraw/zinc/37/48/28/173374828.db2.gz HNTUFJZCMOPJCN-DJLDLDEBSA-N 1 0 200.282 0.136 10 0 BCAERO C[NH2+]C[C@H](N)C(=O)OCc1ccccc1 ZINC000071186625 173376321 /nfs/dbraw/zinc/37/63/21/173376321.db2.gz PZXBGNCUDGLPEA-JTQLQIEISA-N 1 0 208.261 0.277 10 0 BCAERO C[NH2+]C[C@H](O)Cc1ccc(OC)cc1OC ZINC000041245673 173376547 /nfs/dbraw/zinc/37/65/47/173376547.db2.gz SPRKQHBAVHUWMB-SNVBAGLBSA-N 1 0 225.288 0.827 10 0 BCAERO C[NH2+]C[C@H](O)COc1ccc(NC(C)=O)cc1 ZINC000019864564 173376766 /nfs/dbraw/zinc/37/67/66/173376766.db2.gz HYGJCPMUTBEKRD-NSHDSACASA-N 1 0 238.287 0.604 10 0 BCAERO C[NH2+]C[C@H](O)c1c(OC)cc(OC)cc1OC ZINC000055027429 173376861 /nfs/dbraw/zinc/37/68/61/173376861.db2.gz HSLNRUMCFVZRCE-VIFPVBQESA-N 1 0 241.287 0.965 10 0 BCAERO C[NH2+]C[C@H](O)COCCc1ccccn1 ZINC000034958474 173377023 /nfs/dbraw/zinc/37/70/23/173377023.db2.gz PMXGHTFJURCDRR-NSHDSACASA-N 1 0 210.277 0.221 10 0 BCAERO C[NH2+]C[C@H]1CC[C@@H](Cn2nc(C)nc2C)O1 ZINC000052574470 173382433 /nfs/dbraw/zinc/38/24/33/173382433.db2.gz ODWVXHHPSRKTFM-MNOVXSKESA-N 1 0 224.308 0.662 10 0 BCAERO C[NH2+]C[C@H]1CCN(c2ncnc3c2cnn3C)C1 ZINC000071148229 173382486 /nfs/dbraw/zinc/38/24/86/173382486.db2.gz TUVDTYHTJZCDOL-SECBINFHSA-N 1 0 246.318 0.409 10 0 BCAERO C[NH2+]C[C@]1([C@@H]2CCS(=O)(=O)C2)CCCOC1 ZINC000062193601 173383721 /nfs/dbraw/zinc/38/37/21/173383721.db2.gz WJBSWTHBOHCEBU-GHMZBOCLSA-N 1 0 247.360 0.437 10 0 BCAERO C[NH2+]C[C@]1([C@@H]2CCS(=O)(=O)C2)CCOC1 ZINC000054663863 173383793 /nfs/dbraw/zinc/38/37/93/173383793.db2.gz XYAIMIMBCCPLMQ-NXEZZACHSA-N 1 0 233.333 0.047 10 0 BCAERO C[NH2+]Cc1c(C)nn(C)c1-n1ccnc1C ZINC000034825299 173383810 /nfs/dbraw/zinc/38/38/10/173383810.db2.gz PXHMHKZSJUMZBJ-UHFFFAOYSA-N 1 0 219.292 0.942 10 0 BCAERO C[NH2+]C[C@]1([C@H]2CCS(=O)(=O)C2)CCOC1 ZINC000054663866 173383907 /nfs/dbraw/zinc/38/39/07/173383907.db2.gz XYAIMIMBCCPLMQ-VHSXEESVSA-N 1 0 233.333 0.047 10 0 BCAERO C[NH2+]Cc1c(C)nn(C)c1-n1ccnc1 ZINC000034825237 173384241 /nfs/dbraw/zinc/38/42/41/173384241.db2.gz XUFDGLLPOHWMIS-UHFFFAOYSA-N 1 0 205.265 0.634 10 0 BCAERO C[NH2+]Cc1c(C)nn(C)c1N1CCOCC1 ZINC000034823047 173385374 /nfs/dbraw/zinc/38/53/74/173385374.db2.gz MCOXMGPPCUOGNS-UHFFFAOYSA-N 1 0 224.308 0.285 10 0 BCAERO C[NH2+]Cc1cc(CN2CCO[C@@H](C)C2)on1 ZINC000052382450 173386680 /nfs/dbraw/zinc/38/66/80/173386680.db2.gz QGUYANLQXACKSJ-VIFPVBQESA-N 1 0 225.292 0.615 10 0 BCAERO C[NH2+]Cc1cc(CN(C)Cc2nccn2C)on1 ZINC000062325736 173386741 /nfs/dbraw/zinc/38/67/41/173386741.db2.gz PQZQGFMRLMSBDA-UHFFFAOYSA-N 1 0 249.318 0.760 10 0 BCAERO C[NH2+]Cc1cnc(N2CCOCC2)s1 ZINC000054900047 173392468 /nfs/dbraw/zinc/39/24/68/173392468.db2.gz HUKXJFYZYDJFSX-UHFFFAOYSA-N 1 0 213.306 0.699 10 0 BCAERO C[NH2+]Cc1cnn(Cc2cnn(C)c2)c1 ZINC000054719186 173393247 /nfs/dbraw/zinc/39/32/47/173393247.db2.gz AJFOSTFQBBRZNO-UHFFFAOYSA-N 1 0 205.265 0.384 10 0 BCAERO C[NH2+]Cc1nc(Cn2cncn2)cs1 ZINC000052575303 173394736 /nfs/dbraw/zinc/39/47/36/173394736.db2.gz WFLCWMURWFDOTC-UHFFFAOYSA-N 1 0 209.278 0.502 10 0 BCAERO C[NH2+]Cc1nnnn1-c1ccc(F)cc1 ZINC000054744761 173398367 /nfs/dbraw/zinc/39/83/67/173398367.db2.gz GIEAFWIYIWHYKW-UHFFFAOYSA-N 1 0 207.212 0.521 10 0 BCAERO C[NH2+]Cc1nnnn1-c1ccc(F)cc1C ZINC000054744918 173398432 /nfs/dbraw/zinc/39/84/32/173398432.db2.gz BIVFSTRDTBRHLQ-UHFFFAOYSA-N 1 0 221.239 0.829 10 0 BCAERO C[NH2+]Cc1nnnn1-c1ccc(C)c(C)c1 ZINC000054744426 173398512 /nfs/dbraw/zinc/39/85/12/173398512.db2.gz IBKPKHQIEFJRLY-UHFFFAOYSA-N 1 0 217.276 0.999 10 0 BCAERO C[NH2+][C@@H](C)CN(C)CC1CCOCC1 ZINC000082544571 173414577 /nfs/dbraw/zinc/41/45/77/173414577.db2.gz LCRKXYVDDOEKFF-JTQLQIEISA-N 1 0 200.326 0.953 10 0 BCAERO C[NH2+][C@@H](C)CNS(=O)(=O)c1ccc(F)cc1 ZINC000234435265 173415912 /nfs/dbraw/zinc/41/59/12/173415912.db2.gz FOZCSLYHFWVHKV-QMMMGPOBSA-N 1 0 246.307 0.712 10 0 BCAERO C[NH2+][C@@H](CCO)C1CN(C(=O)OC(C)(C)C)C1 ZINC000095075733 173423006 /nfs/dbraw/zinc/42/30/06/173423006.db2.gz ZJAYBWRTSPMVGL-JTQLQIEISA-N 1 0 244.335 0.824 10 0 BCAERO C[NH2+][C@@H](CN1Cc2ccccc2C1)C(N)=O ZINC000050912307 173424340 /nfs/dbraw/zinc/42/43/40/173424340.db2.gz BKGDZKLQULMBSO-NSHDSACASA-N 1 0 219.288 0.076 10 0 BCAERO C[NH2+][C@@](C)(CCN1Cc2ccccc2C1)C(N)=O ZINC000050912248 173440258 /nfs/dbraw/zinc/44/02/58/173440258.db2.gz DNHXVSCCCVNCMP-AWEZNQCLSA-N 1 0 247.342 0.856 10 0 BCAERO C[NH2+][C@H](C)C(=O)N[C@@H](C)c1ccncc1 ZINC000054072194 173444108 /nfs/dbraw/zinc/44/41/08/173444108.db2.gz PGGVGJYPPMPHEM-DTWKUNHWSA-N 1 0 207.277 0.867 10 0 BCAERO C[NH2+][C@H]1CCCN(CC(=O)N(C)C(C)C)C1 ZINC000053204230 173461137 /nfs/dbraw/zinc/46/11/37/173461137.db2.gz NLPHXZZXGNWPSI-NSHDSACASA-N 1 0 227.352 0.537 10 0 BCAERO C[NH2+][C@H]1CCN(C[C@@H]2Cc3ccccc3O2)C1=O ZINC000051086853 173464983 /nfs/dbraw/zinc/46/49/83/173464983.db2.gz URVLJLHJMBZBLG-RYUDHWBXSA-N 1 0 246.310 0.810 10 0 BCAERO COC(=O)CCC[NH2+][C@@H](C)CN1CCOCC1 ZINC000049504649 173543552 /nfs/dbraw/zinc/54/35/52/173543552.db2.gz CBOHUTMSFMCVQE-NSHDSACASA-N 1 0 244.335 0.250 10 0 BCAERO COC(=O)CN(C)C(=O)c1ccc(C[NH3+])cc1 ZINC000037818663 173574056 /nfs/dbraw/zinc/57/40/56/173574056.db2.gz LQCIYIBENTZFMK-UHFFFAOYSA-N 1 0 236.271 0.390 10 0 BCAERO COC(=O)CN1C[C@H]([NH+](C)C)[C@@H](C)C1 ZINC000124423260 173594314 /nfs/dbraw/zinc/59/43/14/173594314.db2.gz OYBAYFUQODCEOQ-IUCAKERBSA-N 1 0 200.282 0.041 10 0 BCAERO COC(=O)[C@@](C)(c1cccnc1)N1CC[NH2+]CC1 ZINC000037963706 173756253 /nfs/dbraw/zinc/75/62/53/173756253.db2.gz MIYMCZVYPSTHBE-CYBMUJFWSA-N 1 0 249.314 0.375 10 0 BCAERO COC(=O)c1ccc2c(c1)C[C@H]([NH3+])CN2 ZINC000091691770 173889960 /nfs/dbraw/zinc/88/99/60/173889960.db2.gz IKOKMYFEWCXBAA-VIFPVBQESA-N 1 0 206.245 0.769 10 0 BCAERO COC1CCN([C@]2(C[NH3+])CCSC2)CC1 ZINC000037265943 174032705 /nfs/dbraw/zinc/03/27/05/174032705.db2.gz QRWCEMCXTZJORS-NSHDSACASA-N 1 0 230.377 0.932 10 0 BCAERO COCC(=O)N1CCC[C@@H]1C1CC[NH2+]CC1 ZINC000048631643 174041070 /nfs/dbraw/zinc/04/10/70/174041070.db2.gz IHHNMOMKPJBJBA-LLVKDONJSA-N 1 0 226.320 0.623 10 0 BCAERO COCC(=O)N1CCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000048631640 174043565 /nfs/dbraw/zinc/04/35/65/174043565.db2.gz DZQUSUOYOOZWJH-MNOVXSKESA-N 1 0 226.320 0.623 10 0 BCAERO COCC(=O)N1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000234614644 174044694 /nfs/dbraw/zinc/04/46/94/174044694.db2.gz ZGOKFBSAOHZIKA-RKDXNWHRSA-N 1 0 200.282 0.219 10 0 BCAERO COCC(=O)NC[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000062036717 174050848 /nfs/dbraw/zinc/05/08/48/174050848.db2.gz DHKWHZUAPXZUAX-RKDXNWHRSA-N 1 0 200.282 0.137 10 0 BCAERO COCC(C)(C)NC(=O)[C@@H]1CC[NH2+]C1 ZINC000135077063 174080794 /nfs/dbraw/zinc/08/07/94/174080794.db2.gz WDXVAQRQQFUUBJ-MRVPVSSYSA-N 1 0 200.282 0.137 10 0 BCAERO COCC1CCN(C(=O)[C@H]2CCC[NH2+]C2)CC1 ZINC000070084379 174119241 /nfs/dbraw/zinc/11/92/41/174119241.db2.gz YTJSVHXVMMHVCD-LBPRGKRZSA-N 1 0 240.347 0.871 10 0 BCAERO COCC1CCN(C(=O)[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000091547754 174119266 /nfs/dbraw/zinc/11/92/66/174119266.db2.gz QCIGUGVFTBNPMF-NEPJUHHUSA-N 1 0 240.347 0.999 10 0 BCAERO COCCC(=O)N1CCCC[C@H]1C[NH3+] ZINC000053731818 174123887 /nfs/dbraw/zinc/12/38/87/174123887.db2.gz ZQQQEJPFCPPFGJ-VIFPVBQESA-N 1 0 200.282 0.363 10 0 BCAERO COCCC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000246766869 174127291 /nfs/dbraw/zinc/12/72/91/174127291.db2.gz ATKSMEHLHBPSKM-QWRGUYRKSA-N 1 0 226.320 0.718 10 0 BCAERO COCCC(=O)N1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000053731805 174128441 /nfs/dbraw/zinc/12/84/41/174128441.db2.gz ILGLBRRWFDGQTR-PBINXNQUSA-N 1 0 212.293 0.504 10 0 BCAERO COCCCC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000116789488 174162541 /nfs/dbraw/zinc/16/25/41/174162541.db2.gz MRDAVCJYHFZJIK-NSHDSACASA-N 1 0 244.335 0.202 10 0 BCAERO COCCCN(CCOC)[C@](C)(C[NH3+])COC ZINC000053198502 174225840 /nfs/dbraw/zinc/22/58/40/174225840.db2.gz PGNBPDHVXAYZIC-GFCCVEGCSA-N 1 0 248.367 0.335 10 0 BCAERO COCCCNC(=O)[C@@H](C)[NH2+][C@@H](C)COC ZINC000034938793 174243834 /nfs/dbraw/zinc/24/38/34/174243834.db2.gz VIWGMEBBSGNVDF-VHSXEESVSA-N 1 0 232.324 0.152 10 0 BCAERO COCCC[NH2+]CCN(C)Cc1cnn(C)c1 ZINC000053441178 174246868 /nfs/dbraw/zinc/24/68/68/174246868.db2.gz HZMKMPFMZPHOCX-UHFFFAOYSA-N 1 0 240.351 0.478 10 0 BCAERO COCCC[NH2+]Cc1c(OC)ncnc1OC ZINC000036745857 174247077 /nfs/dbraw/zinc/24/70/77/174247077.db2.gz ZUYKSDIVFCAJBX-UHFFFAOYSA-N 1 0 241.291 0.620 10 0 BCAERO COCCCNc1nc[nH+]c(NN(C)C)c1N ZINC000040757113 174252847 /nfs/dbraw/zinc/25/28/47/174252847.db2.gz OTKVEEXWSVEWRQ-UHFFFAOYSA-N 1 0 240.311 0.396 10 0 BCAERO COCCCOCCN(C)C(=O)[C@@H]1CCC[NH2+]1 ZINC000183027425 174254524 /nfs/dbraw/zinc/25/45/24/174254524.db2.gz LHVWTKDZKLLQJN-NSHDSACASA-N 1 0 244.335 0.250 10 0 BCAERO COCCCO[C@H]1CC2(CC[C@@H]1[NH3+])OCCO2 ZINC000037747090 174257174 /nfs/dbraw/zinc/25/71/74/174257174.db2.gz GJCZOUDQQCSHJB-QWRGUYRKSA-N 1 0 245.319 0.662 10 0 BCAERO COCCN(C(=O)[C@H]([NH3+])C(C)C)[C@H](C)COC ZINC000042681772 174269690 /nfs/dbraw/zinc/26/96/90/174269690.db2.gz YUPFVGZPBAKWPD-GHMZBOCLSA-N 1 0 246.351 0.480 10 0 BCAERO COCC[N@H+](C)CCCNC(=O)[C@H](C)COC ZINC000103430396 174274657 /nfs/dbraw/zinc/27/46/57/174274657.db2.gz HXTAUZWRNDMFQX-LLVKDONJSA-N 1 0 246.351 0.353 10 0 BCAERO COCCN(C)CC[NH2+]CC1CCOCC1 ZINC000061377725 174277626 /nfs/dbraw/zinc/27/76/26/174277626.db2.gz COIYRUUSXYTSFL-UHFFFAOYSA-N 1 0 230.352 0.581 10 0 BCAERO COCCN(C)c1nc[nH+]c(NN)c1C(C)C ZINC000087864392 174285274 /nfs/dbraw/zinc/28/52/74/174285274.db2.gz WUEXAOAESSLMHL-UHFFFAOYSA-N 1 0 239.323 0.968 10 0 BCAERO COCCN(CCC[NH3+])C(=O)[C@@H]1CCCOC1 ZINC000071223100 174290861 /nfs/dbraw/zinc/29/08/61/174290861.db2.gz IKKIRAWNYBRCEP-LLVKDONJSA-N 1 0 244.335 0.237 10 0 BCAERO COCC[N@H+](CCC[NH3+])CCn1ccnc1C ZINC000071225264 174291100 /nfs/dbraw/zinc/29/11/00/174291100.db2.gz FYPVESVGAPQBIN-UHFFFAOYSA-N 1 0 240.351 0.489 10 0 BCAERO COCC[N@H+](CCO)C[C@@H](O)COC(C)(C)C ZINC000104957659 174293956 /nfs/dbraw/zinc/29/39/56/174293956.db2.gz RNZPGEKVVXHBNA-LLVKDONJSA-N 1 0 249.351 0.103 10 0 BCAERO COCC[NH+](CCOC)CC(C)(C)O ZINC000042442856 174296626 /nfs/dbraw/zinc/29/66/26/174296626.db2.gz KCOSXJYYIVIAGW-UHFFFAOYSA-N 1 0 205.298 0.352 10 0 BCAERO COCCN(Cc1ccc(C)o1)C(=O)[C@@H](C)[NH3+] ZINC000157435524 174299791 /nfs/dbraw/zinc/29/97/91/174299791.db2.gz CYNAXNOLRGHKMC-SNVBAGLBSA-N 1 0 240.303 0.910 10 0 BCAERO COCCN(c1ncccc1C(N)=[NH2+])C1CC1 ZINC000042518427 174301846 /nfs/dbraw/zinc/30/18/46/174301846.db2.gz UOUOIDDPZBFAHO-UHFFFAOYSA-N 1 0 234.303 0.981 10 0 BCAERO COCCN(c1ccc(C(N)=[NH2+])cn1)C1CC1 ZINC000042518428 174302583 /nfs/dbraw/zinc/30/25/83/174302583.db2.gz SAHBDCOBGIAVPV-UHFFFAOYSA-N 1 0 234.303 0.981 10 0 BCAERO COCC[N@H+]([C@@H](C)COC)[C@@H]1CCC[C@@H]1O ZINC000044415292 174302834 /nfs/dbraw/zinc/30/28/34/174302834.db2.gz AXQSOEYOSGSTLB-TUAOUCFPSA-N 1 0 231.336 0.883 10 0 BCAERO COCC[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000105883757 174307301 /nfs/dbraw/zinc/30/73/01/174307301.db2.gz FKAACZNTSWLUBZ-LLVKDONJSA-N 1 0 224.308 0.637 10 0 BCAERO COCC[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000105883755 174308847 /nfs/dbraw/zinc/30/88/47/174308847.db2.gz FKAACZNTSWLUBZ-NSHDSACASA-N 1 0 224.308 0.637 10 0 BCAERO COCCN1CC[N@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000105833284 174309851 /nfs/dbraw/zinc/30/98/51/174309851.db2.gz GVCBJWJRYWSJTG-STQMWFEESA-N 1 0 242.363 0.818 10 0 BCAERO COCCN1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000105833283 174310029 /nfs/dbraw/zinc/31/00/29/174310029.db2.gz GVCBJWJRYWSJTG-OLZOCXBDSA-N 1 0 242.363 0.818 10 0 BCAERO COCC[N@@H+]1CCN([C@@H](C)C(=O)OC)C[C@H]1C ZINC000105913654 174310225 /nfs/dbraw/zinc/31/02/25/174310225.db2.gz PUYBCSZKSLDFGO-MNOVXSKESA-N 1 0 244.335 0.200 10 0 BCAERO COCCN1C[C@@H](C[NH3+])OC(C)(C)C1 ZINC000011886439 174317446 /nfs/dbraw/zinc/31/74/46/174317446.db2.gz OWDYQXVVZOFTKS-SECBINFHSA-N 1 0 202.298 0.071 10 0 BCAERO COCCNC(=O)[C@@H](C)[NH2+]C[C@H]1CCCCO1 ZINC000042821317 174325380 /nfs/dbraw/zinc/32/53/80/174325380.db2.gz UVZMAWUJACFGSI-GHMZBOCLSA-N 1 0 244.335 0.296 10 0 BCAERO COCCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CCCOC1 ZINC000038046039 174325422 /nfs/dbraw/zinc/32/54/22/174325422.db2.gz PJNHQVCXBDPTOH-MNOVXSKESA-N 1 0 244.335 0.154 10 0 BCAERO COCCNC(=O)[C@@H](C)[NH2+][C@@H]1CCC[C@@H]1OC ZINC000050373645 174326017 /nfs/dbraw/zinc/32/60/17/174326017.db2.gz IMEBTAGYAUUKNP-MXWKQRLJSA-N 1 0 244.335 0.295 10 0 BCAERO COCCNC(=O)[C@H](C)[NH2+]C1(CO)CCCC1 ZINC000053069891 174326407 /nfs/dbraw/zinc/32/64/07/174326407.db2.gz ROEOBIJTCZXVTQ-JTQLQIEISA-N 1 0 244.335 0.032 10 0 BCAERO COCCNC(=O)[C@H](C)[NH2+][C@H]1CCC[C@@H]1OC ZINC000050373646 174326836 /nfs/dbraw/zinc/32/68/36/174326836.db2.gz IMEBTAGYAUUKNP-DCAQKATOSA-N 1 0 244.335 0.295 10 0 BCAERO COCCNC(=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC000055085926 174327322 /nfs/dbraw/zinc/32/73/22/174327322.db2.gz BDGYLKHEZOXQTI-IUCAKERBSA-N 1 0 200.282 0.267 10 0 BCAERO COCC[NH2+]C[C@H](O)c1ccc(OC)cc1 ZINC000032014964 174334371 /nfs/dbraw/zinc/33/43/71/174334371.db2.gz QJIBJZLUNZNAJB-LBPRGKRZSA-N 1 0 225.288 0.965 10 0 BCAERO COCC[NH2+]C[C@@H]1CCCCN1CCO ZINC000082646448 174334879 /nfs/dbraw/zinc/33/48/79/174334879.db2.gz WNOWJNIKQXLQPD-NSHDSACASA-N 1 0 216.325 0.069 10 0 BCAERO COCC[NH2+]C[C@H]1CCCN1CCOC ZINC000053650316 174335028 /nfs/dbraw/zinc/33/50/28/174335028.db2.gz SDPGBVPXRYIXOE-LLVKDONJSA-N 1 0 216.325 0.333 10 0 BCAERO COCC[NH2+]C[C@H]1C[C@H]1c1cnn(C)c1 ZINC000054598741 174335182 /nfs/dbraw/zinc/33/51/82/174335182.db2.gz QDNODPQJXDQJRA-MWLCHTKSSA-N 1 0 209.293 0.760 10 0 BCAERO COCC[NH2+]Cc1ccc(C(N)=O)cc1F ZINC000020036284 174336251 /nfs/dbraw/zinc/33/62/51/174336251.db2.gz MGMLAMOXGJXANQ-UHFFFAOYSA-N 1 0 226.251 0.661 10 0 BCAERO COCC[NH2+][C@@H](C)C(=O)NCCC(C)C ZINC000034938596 174336577 /nfs/dbraw/zinc/33/65/77/174336577.db2.gz WXIXHDBARBTYMD-JTQLQIEISA-N 1 0 216.325 0.773 10 0 BCAERO COCCNc1nnc(CC[NH3+])s1 ZINC000098123847 174342296 /nfs/dbraw/zinc/34/22/96/174342296.db2.gz PKSXQOHVHSKVBT-UHFFFAOYSA-N 1 0 202.283 0.098 10 0 BCAERO COCCO[C@@H]1CC2(CC[C@@H]1[NH3+])OCCO2 ZINC000019279373 174365475 /nfs/dbraw/zinc/36/54/75/174365475.db2.gz HBBRYJHUNWQGKT-VHSXEESVSA-N 1 0 231.292 0.272 10 0 BCAERO COCCOc1ccc([C@H]([NH3+])CO)cc1 ZINC000071518175 174369485 /nfs/dbraw/zinc/36/94/85/174369485.db2.gz PKFCZDCEUGHUEZ-LLVKDONJSA-N 1 0 211.261 0.704 10 0 BCAERO COCCOc1cccc([C@@H](O)C[NH3+])c1 ZINC000032012491 174370021 /nfs/dbraw/zinc/37/00/21/174370021.db2.gz JYKCJJSODXACHN-NSHDSACASA-N 1 0 211.261 0.704 10 0 BCAERO COCC[C@@H]([NH3+])C(=O)N1CCCC[C@H]1CCO ZINC000052791057 174391509 /nfs/dbraw/zinc/39/15/09/174391509.db2.gz QTEZNMOFTLSSKH-WDEREUQCSA-N 1 0 244.335 0.114 10 0 BCAERO COCC[C@@H]([NH3+])c1nnc2cnccn21 ZINC000052785334 174393192 /nfs/dbraw/zinc/39/31/92/174393192.db2.gz OSRHWPAXZDSIKP-SSDOTTSWSA-N 1 0 207.237 0.161 10 0 BCAERO COCC[S@@](=O)C1CCC([NH3+])CC1 ZINC000055144875 174421593 /nfs/dbraw/zinc/42/15/93/174421593.db2.gz SJLHQXRNCOSCIF-RPTIHFLNSA-N 1 0 205.323 0.651 10 0 BCAERO COC[C@@H](C)CNC(=O)[C@@H](C)C1C[NH2+]C1 ZINC000129203920 174441173 /nfs/dbraw/zinc/44/11/73/174441173.db2.gz VRFQFMHAKVUGHS-IUCAKERBSA-N 1 0 214.309 0.241 10 0 BCAERO COC[C@H](C)NC(=O)Cc1ccc(C[NH3+])cc1 ZINC000104112386 174543202 /nfs/dbraw/zinc/54/32/02/174543202.db2.gz KGBGZJDCVARCJZ-JTQLQIEISA-N 1 0 236.315 0.839 10 0 BCAERO COCc1c(C[NH3+])nnn1Cc1ccccc1 ZINC000062283441 174617377 /nfs/dbraw/zinc/61/73/77/174617377.db2.gz PPLOPYIGYVCDFR-UHFFFAOYSA-N 1 0 232.287 0.932 10 0 BCAERO CO[C@@H]1C[NH2+][C@H](C(=O)NCc2ccc(C)o2)C1 ZINC000053038734 174770503 /nfs/dbraw/zinc/77/05/03/174770503.db2.gz XDTNTQFLWACBCX-QWRGUYRKSA-N 1 0 238.287 0.581 10 0 BCAERO CO[C@H](C)CNC(=O)[C@H]1CCC[NH2+][C@@H]1C ZINC000224242587 174833147 /nfs/dbraw/zinc/83/31/47/174833147.db2.gz DDKYZXQZNOJYCH-BBBLOLIVSA-N 1 0 214.309 0.526 10 0 BCAERO CO[C@H](C)CNC(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000223752024 174833289 /nfs/dbraw/zinc/83/32/89/174833289.db2.gz HQBOPINPMCNZLZ-KXUCPTDWSA-N 1 0 214.309 0.655 10 0 BCAERO CO[C@H](C[NH3+])C(=O)N1CCC[C@H](C)C1 ZINC000227341881 174856918 /nfs/dbraw/zinc/85/69/18/174856918.db2.gz IIPGOSNYGDMJIE-DTWKUNHWSA-N 1 0 200.282 0.219 10 0 BCAERO CO[C@H](C[NH3+])C(=O)N(C)Cc1sccc1C ZINC000227364231 174857333 /nfs/dbraw/zinc/85/73/33/174857333.db2.gz ZHBNDLXNRRAYBH-SECBINFHSA-N 1 0 242.344 0.989 10 0 BCAERO CO[C@H](CNC(=O)CC[NH3+])c1ccc(F)cc1 ZINC000237194933 174862483 /nfs/dbraw/zinc/86/24/83/174862483.db2.gz HDMHERBPIMELSD-LLVKDONJSA-N 1 0 240.278 0.978 10 0 BCAERO CO[C@H]1C[NH2+]C[C@@H]1Nc1ccc(C)nn1 ZINC000041045203 174899454 /nfs/dbraw/zinc/89/94/54/174899454.db2.gz ANGYVVKMWRMTRP-IUCAKERBSA-N 1 0 208.265 0.184 10 0 BCAERO CO[C@H]1C[NH2+][C@@H](C(=O)Nc2nccs2)C1 ZINC000040629335 174899484 /nfs/dbraw/zinc/89/94/84/174899484.db2.gz GJFMQKJPNDJTAP-RNFRBKRXSA-N 1 0 227.289 0.459 10 0 BCAERO COc1cc(OC)c([C@H](O)C[NH3+])c(OC)c1 ZINC000037376575 175007688 /nfs/dbraw/zinc/00/76/88/175007688.db2.gz UXFFTUKLMRXUST-MRVPVSSYSA-N 1 0 227.260 0.705 10 0 BCAERO COc1cc(OC)c([C@H](N)C[NH3+])c(OC)c1 ZINC000035676920 175007958 /nfs/dbraw/zinc/00/79/58/175007958.db2.gz LXYUMSIMJODLHZ-MRVPVSSYSA-N 1 0 226.276 0.671 10 0 BCAERO COc1cc2c(c(OC)c1)CC[C@]2(O)C[NH3+] ZINC000019727382 175009297 /nfs/dbraw/zinc/00/92/97/175009297.db2.gz FMDGNORLVGOKSX-LBPRGKRZSA-N 1 0 223.272 0.796 10 0 BCAERO COc1cc(OC)nc(NC[C@H](C)C[NH3+])n1 ZINC000168488139 175012368 /nfs/dbraw/zinc/01/23/68/175012368.db2.gz DQUVDNRMNDUUAM-SSDOTTSWSA-N 1 0 226.280 0.501 10 0 BCAERO COc1cc2c(c(OC)c1)[C@@H](O)[C@H](C[NH3+])CN2 ZINC000068590375 175020952 /nfs/dbraw/zinc/02/09/52/175020952.db2.gz BAOYMHOOASNSOB-KRTXAFLBSA-N 1 0 238.287 0.738 10 0 BCAERO COc1cc2c(cc1OC)[C@@H](C[NH3+])NCC2 ZINC000038244923 175025302 /nfs/dbraw/zinc/02/53/02/175025302.db2.gz JAQPKUUNMMRLKX-SNVBAGLBSA-N 1 0 222.288 0.849 10 0 BCAERO COc1ccc(-n2nnnc2C[NH3+])cc1F ZINC000054745070 175045707 /nfs/dbraw/zinc/04/57/07/175045707.db2.gz SUWBHRSTDDAOAX-UHFFFAOYSA-N 1 0 223.211 0.269 10 0 BCAERO COc1ccc(-n2nnnc2C[NH3+])c(OC)c1 ZINC000054744778 175046006 /nfs/dbraw/zinc/04/60/06/175046006.db2.gz JQHWNTRWCWVRLP-UHFFFAOYSA-N 1 0 235.247 0.138 10 0 BCAERO COc1ccc(C)cc1C(=O)NC1[C@H]2C[NH2+]C[C@@H]12 ZINC000052943796 175072929 /nfs/dbraw/zinc/07/29/29/175072929.db2.gz MDKYELOYAXFOGX-QYJAPNMZSA-N 1 0 246.310 0.951 10 0 BCAERO COc1ccc(CC[NH2+]C[C@H](C)C(N)=O)cc1 ZINC000037227201 175091448 /nfs/dbraw/zinc/09/14/48/175091448.db2.gz QVZMVSHRNKIZEM-JTQLQIEISA-N 1 0 236.315 0.949 10 0 BCAERO COc1ccc(C[NH3+])cc1CS(C)(=O)=O ZINC000054930131 175097878 /nfs/dbraw/zinc/09/78/78/175097878.db2.gz QIURAUSWHWLAKN-UHFFFAOYSA-N 1 0 229.301 0.699 10 0 BCAERO COc1ccc(C[NH3+])cc1S(C)(=O)=O ZINC000082642814 175097903 /nfs/dbraw/zinc/09/79/03/175097903.db2.gz LLCQDEAKGGOKFA-UHFFFAOYSA-N 1 0 215.274 0.557 10 0 BCAERO COc1ccc(CN2CCOCC2)cc1C[NH3+] ZINC000016942206 175100947 /nfs/dbraw/zinc/10/09/47/175100947.db2.gz ULNVNEYPIDIXIB-UHFFFAOYSA-N 1 0 236.315 0.986 10 0 BCAERO COc1ccc(CNC(=O)C2CC[NH2+]CC2)cn1 ZINC000040828403 175104256 /nfs/dbraw/zinc/10/42/56/175104256.db2.gz QVYIMBBHUXIKQQ-UHFFFAOYSA-N 1 0 249.314 0.706 10 0 BCAERO COc1ccc(CNC(=O)[C@@H]([NH3+])C(C)C)cn1 ZINC000040828450 175104564 /nfs/dbraw/zinc/10/45/64/175104564.db2.gz QEJZTUBJPDCXCZ-NSHDSACASA-N 1 0 237.303 0.690 10 0 BCAERO COc1ccc(CNC(=O)[C@@]2(C)CC[NH2+]C2)cn1 ZINC000062899823 175104569 /nfs/dbraw/zinc/10/45/69/175104569.db2.gz ZVZFWOKCNFAZHI-ZDUSSCGKSA-N 1 0 249.314 0.706 10 0 BCAERO COc1ccc(C[C@H](O)CC[NH3+])c(OC)c1 ZINC000041245695 175116840 /nfs/dbraw/zinc/11/68/40/175116840.db2.gz OTANUPSIYUYTHG-SNVBAGLBSA-N 1 0 225.288 0.956 10 0 BCAERO COc1ccc(N)c(C(=O)N[C@H]2CC[N@H+](C)C2)c1 ZINC000042543633 175137186 /nfs/dbraw/zinc/13/71/86/175137186.db2.gz KVFRKCDFCXKVJG-VIFPVBQESA-N 1 0 249.314 0.711 10 0 BCAERO CC(C)[C@@H]([NH3+])CC(=O)N[C@H](C)c1nc[nH]n1 ZINC000225814082 487629982 /nfs/dbraw/zinc/62/99/82/487629982.db2.gz VXXYORPTDFCLLM-SFYZADRCSA-N 1 0 225.296 0.355 10 0 BCAERO COc1ccc(OC)c(-n2nnnc2[C@@H](C)[NH3+])c1 ZINC000062494059 175163812 /nfs/dbraw/zinc/16/38/12/175163812.db2.gz KMDDAZNJPINAQT-SSDOTTSWSA-N 1 0 249.274 0.699 10 0 BCAERO COc1ccc(OC)c(CC[C@H]([NH3+])CO)c1 ZINC000071532234 175165052 /nfs/dbraw/zinc/16/50/52/175165052.db2.gz NDHSDGCEVNCAJS-JTQLQIEISA-N 1 0 225.288 0.956 10 0 BCAERO COc1ccc(OC)c([C@H]([NH3+])Cn2cncn2)c1 ZINC000023069435 175169011 /nfs/dbraw/zinc/16/90/11/175169011.db2.gz UBNMKTKLAILYFQ-LLVKDONJSA-N 1 0 248.286 0.995 10 0 BCAERO COc1ccc([C@@H](C[NH3+])N(C)CC(N)=O)cc1 ZINC000042960832 175178713 /nfs/dbraw/zinc/17/87/13/175178713.db2.gz FARFSQWSRMPLOW-LLVKDONJSA-N 1 0 237.303 0.112 10 0 BCAERO COc1ccc([C@@H](O)CN2CC[NH2+]CC2)cc1 ZINC000020264169 175180560 /nfs/dbraw/zinc/18/05/60/175180560.db2.gz AGHVQVCCDCDCHF-ZDUSSCGKSA-N 1 0 236.315 0.634 10 0 BCAERO COc1ccc([C@H](C(N)=O)N2CC[NH2+]CC2)cc1 ZINC000037945750 175187295 /nfs/dbraw/zinc/18/72/95/175187295.db2.gz HYRFUJQFHPWRTB-GFCCVEGCSA-N 1 0 249.314 0.127 10 0 BCAERO COc1ccc([C@H](CO)N2CC[NH2+]CC2)cc1 ZINC000038120852 175191295 /nfs/dbraw/zinc/19/12/95/175191295.db2.gz SZPPBADMADMVHK-ZDUSSCGKSA-N 1 0 236.315 0.634 10 0 BCAERO COc1ccc([C@H]([NH3+])CS(C)(=O)=O)cc1F ZINC000055264589 175192105 /nfs/dbraw/zinc/19/21/05/175192105.db2.gz IBPAAXLHODXMQG-SECBINFHSA-N 1 0 247.291 0.879 10 0 BCAERO COc1ccc([C@H]([NH3+])CN2C(=O)CCC2=O)cc1 ZINC000019260958 175192190 /nfs/dbraw/zinc/19/21/90/175192190.db2.gz FZMVSSJCWNBLJF-LLVKDONJSA-N 1 0 248.282 0.844 10 0 BCAERO COc1ccc([C@](C)([NH3+])CO)cc1OC ZINC000038124621 175199657 /nfs/dbraw/zinc/19/96/57/175199657.db2.gz VIHNXVVTYYRUDZ-LLVKDONJSA-N 1 0 211.261 0.870 10 0 BCAERO COc1ccc2c(c1)[C@@H]([NH3+])CCS2(=O)=O ZINC000020437209 175214305 /nfs/dbraw/zinc/21/43/05/175214305.db2.gz GIRKOXODAPXUJO-VIFPVBQESA-N 1 0 227.285 0.872 10 0 BCAERO COc1ccc2cnn(CC[NH3+])c(=O)c2c1OC ZINC000020272743 175226752 /nfs/dbraw/zinc/22/67/52/175226752.db2.gz GQTRTYXLKLFJHC-UHFFFAOYSA-N 1 0 249.270 0.372 10 0 BCAERO COc1cccc(C2(C[NH3+])OCCO2)c1 ZINC000049814468 175248614 /nfs/dbraw/zinc/24/86/14/175248614.db2.gz KQIPBGKJGQLSLD-UHFFFAOYSA-N 1 0 209.245 0.854 10 0 BCAERO COc1cccc(CCN2CC[C@@H]([NH3+])C2=O)c1 ZINC000082547546 175251555 /nfs/dbraw/zinc/25/15/55/175251555.db2.gz HSOYWDWTXPVMIP-GFCCVEGCSA-N 1 0 234.299 0.797 10 0 BCAERO COc1cccc(CCN2C[C@H]([NH3+])CC2=O)c1 ZINC000057954271 175251713 /nfs/dbraw/zinc/25/17/13/175251713.db2.gz WMMXERZJSXYBTB-LLVKDONJSA-N 1 0 234.299 0.797 10 0 BCAERO COc1cccc(CN(C)[C@H]2C[NH2+]C[C@@H]2O)c1 ZINC000104252391 175255734 /nfs/dbraw/zinc/25/57/34/175255734.db2.gz GABGVFUFMXTFKR-STQMWFEESA-N 1 0 236.315 0.460 10 0 BCAERO COc1cccc(CN2CC[C@@H]([NH3+])C2=O)c1 ZINC000049648916 175260286 /nfs/dbraw/zinc/26/02/86/175260286.db2.gz IJWPNCBFEQHLDE-LLVKDONJSA-N 1 0 220.272 0.755 10 0 BCAERO COc1cccc(C[NH2+]CCc2nnc[nH]2)n1 ZINC000234990307 175264531 /nfs/dbraw/zinc/26/45/31/175264531.db2.gz DSMDMVSCLAFGAK-UHFFFAOYSA-N 1 0 233.275 0.541 10 0 BCAERO COc1cccc(COC(=O)NCC[NH3+])c1 ZINC000071531577 175269403 /nfs/dbraw/zinc/26/94/03/175269403.db2.gz OFXNQHHJDAKXOP-UHFFFAOYSA-N 1 0 224.260 0.880 10 0 BCAERO COc1cccc(COC[C@@H](O)C[NH3+])c1 ZINC000019484747 175269893 /nfs/dbraw/zinc/26/98/93/175269893.db2.gz MRJNTZGNHZBLCZ-JTQLQIEISA-N 1 0 211.261 0.531 10 0 BCAERO COc1cccc(C[C@@H]2C[NH2+]CCN2)n1 ZINC000112953144 175271666 /nfs/dbraw/zinc/27/16/66/175271666.db2.gz QADXNQZPFVHBJD-SNVBAGLBSA-N 1 0 207.277 0.194 10 0 BCAERO COc1cccc(C[C@H](C)[NH3+])c1OCC(N)=O ZINC000037727628 175271857 /nfs/dbraw/zinc/27/18/57/175271857.db2.gz PPRDRQIFQUMIHB-QMMMGPOBSA-N 1 0 238.287 0.449 10 0 BCAERO COc1cccc(NC[C@H](O)CC[NH3+])c1 ZINC000071512255 175279162 /nfs/dbraw/zinc/27/91/62/175279162.db2.gz JWRKRUATLWFJPC-SNVBAGLBSA-N 1 0 210.277 0.817 10 0 BCAERO COc1cccc(OC(=O)CC[NH3+])c1OC ZINC000049819950 175281043 /nfs/dbraw/zinc/28/10/43/175281043.db2.gz ZZONNPTZXYPBBG-UHFFFAOYSA-N 1 0 225.244 0.958 10 0 BCAERO COc1cccc(S(=O)(=O)[C@@H]2CC[NH2+]C2)c1 ZINC000083294912 175284899 /nfs/dbraw/zinc/28/48/99/175284899.db2.gz QBLBQROVTWRSJV-LLVKDONJSA-N 1 0 241.312 0.831 10 0 BCAERO COc1cccc([C@H](O)C(N)=[NH2+])c1OC ZINC000045823720 175295205 /nfs/dbraw/zinc/29/52/05/175295205.db2.gz BFYZICJULIKDNK-QMMMGPOBSA-N 1 0 210.233 0.673 10 0 BCAERO COc1cccc2c1S(=O)(=O)CC[C@H]2[NH3+] ZINC000041030809 175304664 /nfs/dbraw/zinc/30/46/64/175304664.db2.gz FIFKYFMREHIKHI-MRVPVSSYSA-N 1 0 227.285 0.872 10 0 BCAERO COc1ccccc1CC(=O)N[C@@H]1C[C@@H]1[NH3+] ZINC000036235024 175321486 /nfs/dbraw/zinc/32/14/86/175321486.db2.gz JYBLXIZOYYZLNQ-VHSXEESVSA-N 1 0 220.272 0.454 10 0 BCAERO COc1ccccc1OC[C@H](O)CC[NH3+] ZINC000020399757 175341966 /nfs/dbraw/zinc/34/19/66/175341966.db2.gz IWTSUHKEIPCQEG-SECBINFHSA-N 1 0 211.261 0.784 10 0 BCAERO COc1ccccc1[C@@H]([NH3+])Cn1cccnc1=O ZINC000019257015 175347797 /nfs/dbraw/zinc/34/77/97/175347797.db2.gz ATIUIFVPJDBGIJ-NSHDSACASA-N 1 0 245.282 0.952 10 0 BCAERO COc1ccnc(OCC2CC[NH2+]CC2)n1 ZINC000051869873 175367898 /nfs/dbraw/zinc/36/78/98/175367898.db2.gz QIDDNAJEKLVHHR-UHFFFAOYSA-N 1 0 223.276 0.864 10 0 BCAERO COc1ccnc(OC[C@@H]2CC[NH2+]C2)n1 ZINC000051888654 175367926 /nfs/dbraw/zinc/36/79/26/175367926.db2.gz OMDBDYGFAKSFQD-MRVPVSSYSA-N 1 0 209.249 0.474 10 0 BCAERO COc1cncc(C[NH2+][C@@H]2CCC(=O)N[C@H]2C)c1 ZINC000289379864 175385601 /nfs/dbraw/zinc/38/56/01/175385601.db2.gz JACZLTHHSNLOHF-JOYOIKCWSA-N 1 0 249.314 0.847 10 0 BCAERO COc1nc(C)c(C[NH2+]CCCO)s1 ZINC000045205500 175389647 /nfs/dbraw/zinc/38/96/47/175389647.db2.gz AGIMMNSISBRUEC-UHFFFAOYSA-N 1 0 216.306 0.932 10 0 BCAERO COc1nc(Cl)nc(N2CC[C@@H](C[NH3+])C2)n1 ZINC000061514761 175392878 /nfs/dbraw/zinc/39/28/78/175392878.db2.gz KGZBPKLQYZXPHP-LURJTMIESA-N 1 0 243.698 0.319 10 0 BCAERO COc1nc(Cl)nc(N2CC[C@H](C[NH3+])C2)n1 ZINC000061514760 175392939 /nfs/dbraw/zinc/39/29/39/175392939.db2.gz KGZBPKLQYZXPHP-ZCFIWIBFSA-N 1 0 243.698 0.319 10 0 BCAERO COc1nc(NC[C@H]2CCC[NH2+]2)nc(OC)n1 ZINC000061452246 175396174 /nfs/dbraw/zinc/39/61/74/175396174.db2.gz RUYIGBKODBOXPH-SSDOTTSWSA-N 1 0 239.279 0.053 10 0 BCAERO COc1nccnc1CN(C)C[C@@H]1CC[NH2+]C1 ZINC000095071595 175411720 /nfs/dbraw/zinc/41/17/20/175411720.db2.gz VTKTWWMJXWAEQV-SNVBAGLBSA-N 1 0 236.319 0.527 10 0 BCAERO CS(=O)(=O)CCC[NH2+][C@H]1CCCCC[C@@H]1O ZINC000038047822 175421711 /nfs/dbraw/zinc/42/17/11/175421711.db2.gz JBYMIIKCUHXMAL-QWRGUYRKSA-N 1 0 249.376 0.704 10 0 BCAERO CS(=O)(=O)CCNc1cc[nH+]cc1N ZINC000037750281 175423646 /nfs/dbraw/zinc/42/36/46/175423646.db2.gz NJOZICZRQKTZFM-UHFFFAOYSA-N 1 0 215.278 0.120 10 0 BCAERO CS(=O)(=O)N(C1CCC1)[C@@H]1CCC[NH2+]CC1 ZINC000098096506 175426375 /nfs/dbraw/zinc/42/63/75/175426375.db2.gz YEMRXLSTXYFRJL-LLVKDONJSA-N 1 0 246.376 0.943 10 0 BCAERO CS(=O)(=O)c1ccccc1OCC[NH3+] ZINC000051870151 175439329 /nfs/dbraw/zinc/43/93/29/175439329.db2.gz GWKGJQRAJPOIAW-UHFFFAOYSA-N 1 0 215.274 0.428 10 0 BCAERO CS[C@H](C)CNC(=O)[C@H]1CCC[C@H]1[NH3+] ZINC000248697628 175562723 /nfs/dbraw/zinc/56/27/23/175562723.db2.gz DTOILQYJQJVGCZ-HRDYMLBCSA-N 1 0 216.350 0.982 10 0 BCAERO C[C@@H](C[NH3+])CN(C)C(=O)c1ccnn1C ZINC000061665187 175706868 /nfs/dbraw/zinc/70/68/68/175706868.db2.gz HCZDBOAJZNMESE-QMMMGPOBSA-N 1 0 210.281 0.087 10 0 BCAERO C[C@@H](C[NH3+])Cn1nnc(-c2ccccc2)n1 ZINC000052574636 175708940 /nfs/dbraw/zinc/70/89/40/175708940.db2.gz BSSBGCHHJJIBJS-VIFPVBQESA-N 1 0 217.276 0.935 10 0 BCAERO C[C@@H](Cc1ccco1)NC(=O)[C@@H]1CC[NH2+]C1 ZINC000062113609 175775077 /nfs/dbraw/zinc/77/50/77/175775077.db2.gz LEZCQSMVKCJVBU-VHSXEESVSA-N 1 0 222.288 0.936 10 0 BCAERO C[C@@H](Cn1cccn1)[NH2+][C@H]1CCS(=O)(=O)C1 ZINC000042539698 175781639 /nfs/dbraw/zinc/78/16/39/175781639.db2.gz FJKGURDSLXYNTM-UWVGGRQHSA-N 1 0 243.332 0.048 10 0 BCAERO C[C@@H]([NH3+])Cc1c(-n2cncn2)nc2ccccn21 ZINC000104263845 175806270 /nfs/dbraw/zinc/80/62/70/175806270.db2.gz PTEOIWPJATWSBM-SECBINFHSA-N 1 0 242.286 0.805 10 0 BCAERO C[C@@H](NC(=O)C1CC[NH2+]CC1)[C@@H]1CCCO1 ZINC000035735001 175827599 /nfs/dbraw/zinc/82/75/99/175827599.db2.gz JSVZLTWYCUBRNX-KOLCDFICSA-N 1 0 226.320 0.670 10 0 BCAERO C[C@@H]([NH2+]CC1CCCCC1)C(=O)NC(N)=O ZINC000037249323 175870030 /nfs/dbraw/zinc/87/00/30/175870030.db2.gz XOJGCSKSTLRRBP-MRVPVSSYSA-N 1 0 227.308 0.740 10 0 BCAERO C[C@@H](O)C1CCN(C(=O)C[NH2+]CC2CC2)CC1 ZINC000226332826 175945223 /nfs/dbraw/zinc/94/52/23/175945223.db2.gz UZJBUMVTOCZCIK-SNVBAGLBSA-N 1 0 240.347 0.605 10 0 BCAERO C[C@@H](OCC[NH3+])C(=O)N1CCCCC1 ZINC000051864273 176002161 /nfs/dbraw/zinc/00/21/61/176002161.db2.gz YJZQNNCCSTXBIP-SECBINFHSA-N 1 0 200.282 0.363 10 0 BCAERO C[C@@H](OCC[NH3+])C(=O)N1CCCCCC1 ZINC000051864284 176002539 /nfs/dbraw/zinc/00/25/39/176002539.db2.gz CQGHJFBILDBTCG-SNVBAGLBSA-N 1 0 214.309 0.753 10 0 BCAERO C[C@@H](OC[C@@H]1CC[NH2+]C1)C(=O)N1CCCC1 ZINC000051888173 176003081 /nfs/dbraw/zinc/00/30/81/176003081.db2.gz HKMFDPGXFIPKHL-GHMZBOCLSA-N 1 0 226.320 0.623 10 0 BCAERO C[C@@H](O[C@@H]1CC[NH2+]C1)C(=O)N1CCCCC1 ZINC000051782276 176003093 /nfs/dbraw/zinc/00/30/93/176003093.db2.gz OUIHUHDIZLBALF-GHMZBOCLSA-N 1 0 226.320 0.766 10 0 BCAERO C[C@@H](SCC[NH3+])C(=O)N1CCCC1 ZINC000020422315 176007995 /nfs/dbraw/zinc/00/79/95/176007995.db2.gz TVERUPIHRXYUBZ-MRVPVSSYSA-N 1 0 202.323 0.689 10 0 BCAERO C[C@@H](Sc1ccccn1)C(=O)NCC[NH3+] ZINC000049477720 176009364 /nfs/dbraw/zinc/00/93/64/176009364.db2.gz FMZYQLVTOLIQEH-MRVPVSSYSA-N 1 0 225.317 0.637 10 0 BCAERO C[C@@H]([C@@H]1CCCC[NH2+]1)N1C(=O)C[C@@H](C)C1=O ZINC000103378841 176011757 /nfs/dbraw/zinc/01/17/57/176011757.db2.gz ABVPOOWFTDLLBE-UTLUCORTSA-N 1 0 224.304 0.912 10 0 BCAERO C[C@@H]([C@H]1CCC[NH2+]C1)N1C(=O)C=CC1=O ZINC000050164382 176011761 /nfs/dbraw/zinc/01/17/61/176011761.db2.gz KVPYAGRFZQKCLI-IUCAKERBSA-N 1 0 208.261 0.300 10 0 BCAERO C[C@@H]([C@H]1CCC[NH2+]C1)N1C(=O)CCC1=O ZINC000035691754 176011820 /nfs/dbraw/zinc/01/18/20/176011820.db2.gz NAWVBCTXCVIHOK-IUCAKERBSA-N 1 0 210.277 0.524 10 0 BCAERO C[C@@H](c1ccccc1)[C@H]([NH2+]CCN(C)C)C(N)=O ZINC000041085308 176022669 /nfs/dbraw/zinc/02/26/69/176022669.db2.gz MTDWSJLAAKJVEK-AAEUAGOBSA-N 1 0 249.358 0.795 10 0 BCAERO C[C@@H](c1nc2c(c(=O)[nH]1)CCC2)N1CC[NH2+]CC1 ZINC000104058601 176038956 /nfs/dbraw/zinc/03/89/56/176038956.db2.gz HQCIZDIDOIGWSR-VIFPVBQESA-N 1 0 248.330 0.225 10 0 BCAERO C[C@@H]1CC(=O)N(C[C@H]([NH3+])C(C)(C)C)C1=O ZINC000040739815 176048067 /nfs/dbraw/zinc/04/80/67/176048067.db2.gz IULPKNCDKNWDGM-SFYZADRCSA-N 1 0 212.293 0.755 10 0 BCAERO C[C@@H]1CCCCN1C(=O)N1CC[NH2+]CC1 ZINC000019259065 176068576 /nfs/dbraw/zinc/06/85/76/176068576.db2.gz UHNJYRGJKHFSOA-SNVBAGLBSA-N 1 0 211.309 0.886 10 0 BCAERO C[C@@H]1CCCC[N@@H+]1CC[C@H](NC1CC1)C(N)=O ZINC000062440355 176072095 /nfs/dbraw/zinc/07/20/95/176072095.db2.gz VWMKCAFVIGBIOY-PWSUYJOCSA-N 1 0 239.363 0.857 10 0 BCAERO C[C@@H]1CCCCN1S(=O)(=O)CCC[NH3+] ZINC000020180102 176073046 /nfs/dbraw/zinc/07/30/46/176073046.db2.gz BITFJPSETNVTNY-SECBINFHSA-N 1 0 220.338 0.539 10 0 BCAERO C[C@@H]1CCCC[C@@H]1C[NH2+]CC(=O)NC(N)=O ZINC000042862782 176076138 /nfs/dbraw/zinc/07/61/38/176076138.db2.gz MBYSKWQZCKSCEH-RKDXNWHRSA-N 1 0 227.308 0.597 10 0 BCAERO C[C@@H]1CCCC[C@H]1N(C)C(=O)C(=O)NCC[NH3+] ZINC000042600861 176085642 /nfs/dbraw/zinc/08/56/42/176085642.db2.gz SCKBHMUIVYUSQK-NXEZZACHSA-N 1 0 241.335 0.098 10 0 BCAERO C[C@@H]1CCC[C@@H](C(=O)N2CCO[C@H](C)C2)[NH2+]1 ZINC000034717582 176112308 /nfs/dbraw/zinc/11/23/08/176112308.db2.gz HYMMODUHQGUJJU-MXWKQRLJSA-N 1 0 226.320 0.764 10 0 BCAERO C[C@@H]1CCC[NH2+][C@H]1C(=O)N1CCC(O)CC1 ZINC000051790697 176112442 /nfs/dbraw/zinc/11/24/42/176112442.db2.gz RNJDXJUUEMJTIV-MWLCHTKSSA-N 1 0 226.320 0.358 10 0 BCAERO C[C@@H]1CCC[C@H](C(=O)N2CCS(=O)CC2)[NH2+]1 ZINC000049692891 176135464 /nfs/dbraw/zinc/13/54/64/176135464.db2.gz AVOIMMOJDQRMIE-NXEZZACHSA-N 1 0 244.360 0.108 10 0 BCAERO C[C@@H]1CCC[C@H](C(=O)NC2CCC(O)CC2)[NH2+]1 ZINC000019517962 176135843 /nfs/dbraw/zinc/13/58/43/176135843.db2.gz ZWZZCSMOIFIRBT-HBIQZDMRSA-N 1 0 240.347 0.937 10 0 BCAERO C[C@@H]1CCC[C@](CO)(NC(=O)C[NH3+])C1 ZINC000053127597 176152201 /nfs/dbraw/zinc/15/22/01/176152201.db2.gz PWMOMEYHGACXAL-SCZZXKLOSA-N 1 0 200.282 0.003 10 0 BCAERO C[C@@H]1CCC[C@](CO)([NH2+]CC(=O)NC2CC2)C1 ZINC000053126731 176152441 /nfs/dbraw/zinc/15/24/41/176152441.db2.gz GQFKNUZNHMLYLS-MFKMUULPSA-N 1 0 240.347 0.796 10 0 BCAERO C[C@@H]1CCN(C(=O)CN2CCC[NH2+]CC2)C1 ZINC000061273521 176155519 /nfs/dbraw/zinc/15/55/19/176155519.db2.gz AHPKOWQRTYEECD-LLVKDONJSA-N 1 0 225.336 0.150 10 0 BCAERO C[C@@H]1CC[N@H+](CCn2cc(N)ccc2=O)C1 ZINC000040716940 176170987 /nfs/dbraw/zinc/17/09/87/176170987.db2.gz OSWZLJJHRATRDD-SNVBAGLBSA-N 1 0 221.304 0.772 10 0 BCAERO C[C@@H]1CCN(Cc2cnn(C)c2)[C@@H](C[NH3+])C1 ZINC000235342000 176177960 /nfs/dbraw/zinc/17/79/60/176177960.db2.gz ZOYDRKAZDXQDCG-ZYHUDNBSSA-N 1 0 222.336 0.979 10 0 BCAERO C[C@@H]1CCN(S(=O)(=O)CC[NH3+])[C@H](C)C1 ZINC000051731969 176178810 /nfs/dbraw/zinc/17/88/10/176178810.db2.gz VXRRXBJUGQOMST-RKDXNWHRSA-N 1 0 220.338 0.395 10 0 BCAERO C[C@@H]1CCN(S(=O)(=O)CC2CC2)[C@@H](C[NH3+])C1 ZINC000235346543 176179313 /nfs/dbraw/zinc/17/93/13/176179313.db2.gz SNLONKZOQZDNHS-MWLCHTKSSA-N 1 0 246.376 0.785 10 0 BCAERO C[C@@H]1CC[C@@H](C(=O)N2CCOCC2)C[NH2+]1 ZINC000019510188 176194278 /nfs/dbraw/zinc/19/42/78/176194278.db2.gz LHGLFUHHARAXBM-NXEZZACHSA-N 1 0 212.293 0.233 10 0 BCAERO C[C@@H]1CC[C@@H](C(=O)NCCn2ccnc2)C[NH2+]1 ZINC000042542788 176195415 /nfs/dbraw/zinc/19/54/15/176195415.db2.gz FHAHTUMKKAOWNJ-GHMZBOCLSA-N 1 0 236.319 0.387 10 0 BCAERO C[C@@H]1CC[C@@H](CN2CCCS2(=O)=O)C[NH2+]1 ZINC000062037278 176203795 /nfs/dbraw/zinc/20/37/95/176203795.db2.gz NGSINPBFKRLBOD-NXEZZACHSA-N 1 0 232.349 0.410 10 0 BCAERO C[C@@H]1CC[C@@H](CN2CCCNC2=O)C[NH2+]1 ZINC000062037660 176203950 /nfs/dbraw/zinc/20/39/50/176203950.db2.gz RGVPBZAMJDXTPQ-NXEZZACHSA-N 1 0 211.309 0.790 10 0 BCAERO C[C@@H]1CC[C@H]1[NH2+]C1CCS(=O)(=O)CC1 ZINC000307551327 176237086 /nfs/dbraw/zinc/23/70/86/176237086.db2.gz RZTLNBSZZVYZLM-PSASIEDQSA-N 1 0 217.334 0.952 10 0 BCAERO C[C@@H]1CN(C(=O)COc2ccccc2)C[C@H]1[NH3+] ZINC000235331641 176247355 /nfs/dbraw/zinc/24/73/55/176247355.db2.gz ICMJRCMLCXYCSO-ZYHUDNBSSA-N 1 0 234.299 0.871 10 0 BCAERO C[C@@H]1CN(C(=O)[C@@H]2CC[C@@H]([NH3+])C2)CCO1 ZINC000227879514 176255825 /nfs/dbraw/zinc/25/58/25/176255825.db2.gz YIZHFNSSNHRRTM-OPRDCNLKSA-N 1 0 212.293 0.361 10 0 BCAERO C[C@@H]1CN(C(=O)c2ccnc(C[NH3+])c2)C[C@@H](C)O1 ZINC000129905489 176263760 /nfs/dbraw/zinc/26/37/60/176263760.db2.gz RPLDDBMDICIOLP-NXEZZACHSA-N 1 0 249.314 0.790 10 0 BCAERO C[C@@H]1CN(C(=O)c2cncc(O)c2)[C@H](C)C[NH2+]1 ZINC000086467854 176264360 /nfs/dbraw/zinc/26/43/60/176264360.db2.gz KXYDSDPRBZVURD-RKDXNWHRSA-N 1 0 235.287 0.610 10 0 BCAERO C[C@@H]1CN(C)CCN1C(=O)C1CC[NH2+]CC1 ZINC000226401459 176266024 /nfs/dbraw/zinc/26/60/24/176266024.db2.gz HDHMGFPHNJFPNP-SNVBAGLBSA-N 1 0 225.336 0.149 10 0 BCAERO C[C@@H]1CN(CC2(C[NH3+])CCOCC2)C[C@@H](C)O1 ZINC000052180782 176284519 /nfs/dbraw/zinc/28/45/19/176284519.db2.gz KFBUJWIQXGDVPX-VXGBXAGGSA-N 1 0 242.363 0.851 10 0 BCAERO C[C@@H]1CN(CC(=O)Nc2ccccc2)C[C@@H]1[NH3+] ZINC000235348130 176284819 /nfs/dbraw/zinc/28/48/19/176284819.db2.gz RWMIAYFNOQDWBI-PWSUYJOCSA-N 1 0 233.315 0.904 10 0 BCAERO C[C@@H]1CN(CCCn2ccnc2)[C@H](C)C[NH2+]1 ZINC000082934733 176288994 /nfs/dbraw/zinc/28/89/94/176288994.db2.gz VZWIZFKMKQNEIV-VXGBXAGGSA-N 1 0 222.336 0.955 10 0 BCAERO C[C@@H]1CN(CCCn2ccnc2)CC[NH2+]1 ZINC000082925091 176290300 /nfs/dbraw/zinc/29/03/00/176290300.db2.gz MVIVRJPYORNLGD-LLVKDONJSA-N 1 0 208.309 0.567 10 0 BCAERO C[C@@H]1C[NH+](C[C@]2(CO)CCCOC2)C[C@@H](C)O1 ZINC000104325042 176301101 /nfs/dbraw/zinc/30/11/01/176301101.db2.gz MDTVRGKFWQOVAG-UPJWGTAASA-N 1 0 243.347 0.885 10 0 BCAERO C[C@@H]1CN(Cc2ccc(Cl)nn2)CC[NH2+]1 ZINC000095069489 176303279 /nfs/dbraw/zinc/30/32/79/176303279.db2.gz LQTUTSWTRUXXJJ-MRVPVSSYSA-N 1 0 226.711 0.924 10 0 BCAERO C[C@@H]1CN(Cc2ccccc2)C(=O)[C@H]1[NH3+] ZINC000216073956 176305646 /nfs/dbraw/zinc/30/56/46/176305646.db2.gz VHQDHZUMYNZYFR-KOLCDFICSA-N 1 0 204.273 0.992 10 0 BCAERO C[C@@H]1CN(Cc2occc2C[NH3+])CCO1 ZINC000052382422 176312942 /nfs/dbraw/zinc/31/29/42/176312942.db2.gz ONHNCWISDRKQGJ-SECBINFHSA-N 1 0 210.277 0.959 10 0 BCAERO C[C@H](C(=O)N1CCCCC1)N1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000235354015 176316757 /nfs/dbraw/zinc/31/67/57/176316757.db2.gz GCORCHIUZXBUQI-UTUOFQBUSA-N 1 0 239.363 0.666 10 0 BCAERO C[C@@H]1CN(c2nnnn2-c2ccccc2)C[C@@H]1[NH3+] ZINC000235403330 176321581 /nfs/dbraw/zinc/32/15/81/176321581.db2.gz LBQCZBWTGXQOHM-KOLCDFICSA-N 1 0 244.302 0.446 10 0 BCAERO C[C@@H]1C[NH+]=C(NC[C@H]2COCCO2)S1 ZINC000038062801 176324137 /nfs/dbraw/zinc/32/41/37/176324137.db2.gz CQJJHFKZUOLYNC-SFYZADRCSA-N 1 0 216.306 0.483 10 0 BCAERO C[C@@H]1C[NH+]=C(N[C@H]2CCS(=O)(=O)C2)S1 ZINC000035294822 176324460 /nfs/dbraw/zinc/32/44/60/176324460.db2.gz GETRIIZLPPKSAR-RQJHMYQMSA-N 1 0 234.346 0.254 10 0 BCAERO C[C@@H]1C[NH2+]CCN([C@]2(C)CCS(=O)(=O)C2)C1 ZINC000044932708 176325739 /nfs/dbraw/zinc/32/57/39/176325739.db2.gz KLSNQZCNTRRQIT-GHMZBOCLSA-N 1 0 246.376 0.105 10 0 BCAERO C[C@@H]1C[NH2+]C[C@@H]1C(=O)N1CCn2ccnc2C1 ZINC000104228862 176329482 /nfs/dbraw/zinc/32/94/82/176329482.db2.gz XYLFRUCZPXVFBD-ZJUUUORDSA-N 1 0 234.303 0.081 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N(C)CCOCC1CC1 ZINC000094988368 176329633 /nfs/dbraw/zinc/32/96/33/176329633.db2.gz KRXNKEQAGQMQPO-ZYHUDNBSSA-N 1 0 240.347 0.727 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)NCCc1ccccn1 ZINC000104225557 176329840 /nfs/dbraw/zinc/32/98/40/176329840.db2.gz CUUFZVFJYHRFRO-ZYHUDNBSSA-N 1 0 233.315 0.596 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCSC[C@H]1C ZINC000235283955 176329914 /nfs/dbraw/zinc/32/99/14/176329914.db2.gz FMGQWJJFIMGYRC-OPRDCNLKSA-N 1 0 228.361 0.806 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)NCCc1ccc(O)cc1 ZINC000104227207 176330023 /nfs/dbraw/zinc/33/00/23/176330023.db2.gz ABWJRELVMWVQKA-ZWNOBZJWSA-N 1 0 248.326 0.906 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCO[C@@H]2CCC[C@@H]21 ZINC000223920168 176330204 /nfs/dbraw/zinc/33/02/04/176330204.db2.gz JHJOZICZNMFKEC-WISYIIOYSA-N 1 0 238.331 0.622 10 0 BCAERO C[C@@H](NC(=O)[C@@H]1C[NH2+]C[C@H]1C)[C@@H]1CCCO1 ZINC000235296817 176330239 /nfs/dbraw/zinc/33/02/39/176330239.db2.gz MUCOIFAFYZNPMI-DBIOUOCHSA-N 1 0 226.320 0.526 10 0 BCAERO C[C@@H]1COCCN1C(=O)[C@@H]1CCC[NH2+]C1 ZINC000035776674 176334206 /nfs/dbraw/zinc/33/42/06/176334206.db2.gz UIDNNEBGOIJKTJ-NXEZZACHSA-N 1 0 212.293 0.233 10 0 BCAERO C[C@@H]1COCCN1C(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000035776638 176334247 /nfs/dbraw/zinc/33/42/47/176334247.db2.gz MELKYENKQRROQJ-YPMHNXCESA-N 1 0 248.326 0.804 10 0 BCAERO C[C@@H]1COCCN1Cc1ccc(C[NH3+])o1 ZINC000052475846 176337246 /nfs/dbraw/zinc/33/72/46/176337246.db2.gz BRNCFTXECFQFJW-SECBINFHSA-N 1 0 210.277 0.959 10 0 BCAERO C[C@@H]1COCCN1[C@@H](C[NH3+])c1cccnc1 ZINC000035774518 176337930 /nfs/dbraw/zinc/33/79/30/176337930.db2.gz GPSKMLOJLDCYJF-PWSUYJOCSA-N 1 0 221.304 0.802 10 0 BCAERO C[C@@H]1COCCN1[C@]1(C[NH3+])CN2CCC1CC2 ZINC000035774855 176337977 /nfs/dbraw/zinc/33/79/77/176337977.db2.gz QEWZNXUTPNDRMG-DGCLKSJQSA-N 1 0 239.363 0.130 10 0 BCAERO C[C@@H]1COC[C@@H](C)N1C[C@H](O)C[N@H+](C)C1CC1 ZINC000336714693 176347045 /nfs/dbraw/zinc/34/70/45/176347045.db2.gz PHHYNWRDVBRIFC-NQBHXWOUSA-N 1 0 242.363 0.551 10 0 BCAERO C[C@@]1(C(=O)Nc2nnc(C3CC3)o2)CC[NH2+]C1 ZINC000062900902 176527781 /nfs/dbraw/zinc/52/77/81/176527781.db2.gz OGCLHBJWJUCNSW-LLVKDONJSA-N 1 0 236.275 0.885 10 0 BCAERO C[C@H](CN(C)c1cc[nH+]cc1N)C(N)=O ZINC000042141182 176654925 /nfs/dbraw/zinc/65/49/25/176654925.db2.gz OUYTUSWEUVHLNE-SSDOTTSWSA-N 1 0 208.265 0.221 10 0 BCAERO C[C@H](C[NH3+])c1noc(-c2cnn(C)c2)n1 ZINC000054158546 176663972 /nfs/dbraw/zinc/66/39/72/176663972.db2.gz PBDZITXPRWYDSQ-ZCFIWIBFSA-N 1 0 207.237 0.532 10 0 BCAERO C[C@H](CN1CCCC1)[NH2+][C@H]1CCS(=O)(=O)C1 ZINC000049162661 176664952 /nfs/dbraw/zinc/66/49/52/176664952.db2.gz YAXSWWIMEBIZLV-MNOVXSKESA-N 1 0 246.376 0.247 10 0 BCAERO C[C@H](CO)[C@H](C)[NH2+]C[C@@H](O)C(C)(C)C ZINC000308507835 176713336 /nfs/dbraw/zinc/71/33/36/176713336.db2.gz APQNAIXZWXHCIZ-KXUCPTDWSA-N 1 0 203.326 1.000 10 0 BCAERO C[C@H]([NH3+])Cc1c(-n2cncn2)nc2sccn12 ZINC000104263831 176761614 /nfs/dbraw/zinc/76/16/14/176761614.db2.gz RIISSILRSZILIV-ZETCQYMHSA-N 1 0 248.315 0.866 10 0 BCAERO C[C@@H](C(=O)N1[C@H](C)COC[C@@H]1C)[C@H](C)[NH3+] ZINC000249111638 176763565 /nfs/dbraw/zinc/76/35/65/176763565.db2.gz VXVVLXHDQRIBAA-RGOKHQFPSA-N 1 0 214.309 0.606 10 0 BCAERO C[C@H]([NH3+])[C@H](C)C(=O)N[C@@H](C)[C@H]1CCCO1 ZINC000248487007 176769620 /nfs/dbraw/zinc/76/96/20/176769620.db2.gz LNXIMHWRBTZHPD-AATLWQCWSA-N 1 0 214.309 0.653 10 0 BCAERO C[C@@H](CO)[C@H](C)NC(=O)c1ccc(C[NH3+])cc1 ZINC000169275079 176817194 /nfs/dbraw/zinc/81/71/94/176817194.db2.gz BSRDITASEPIWSE-UWVGGRQHSA-N 1 0 236.315 0.892 10 0 BCAERO C[C@H]([NH2+]C(CO)CO)C1CCCCC1 ZINC000083692603 176823907 /nfs/dbraw/zinc/82/39/07/176823907.db2.gz OVRZXTJFEOUNAH-VIFPVBQESA-N 1 0 201.310 0.898 10 0 BCAERO CCN1CCO[C@H](C[NH2+][C@H]2CN(C)C[C@@H]2C)C1 ZINC000674882160 487635720 /nfs/dbraw/zinc/63/57/20/487635720.db2.gz GTXPCPOLDQLQOY-XQQFMLRXSA-N 1 0 241.379 0.247 10 0 BCAERO COC[C@H](C)[NH2+]CC(=O)N(C)C1CC1 ZINC000049304363 487636412 /nfs/dbraw/zinc/63/64/12/487636412.db2.gz ILHCFJGLTLMPKT-QMMMGPOBSA-N 1 0 200.282 0.232 10 0 BCAERO C[C@H](O)[C@@H]([NH3+])c1nc2ccccc2n1C ZINC000034962064 177006111 /nfs/dbraw/zinc/00/61/11/177006111.db2.gz RFQGRYPUDYVWSR-OIBJUYFYSA-N 1 0 205.261 0.954 10 0 BCAERO C[C@H](O)[C@@H]1CN(Cc2ccccc2)CC[NH2+]1 ZINC000034253420 177009566 /nfs/dbraw/zinc/00/95/66/177009566.db2.gz AEFZVMAENDWYTI-AAEUAGOBSA-N 1 0 220.316 0.841 10 0 BCAERO C[C@H](O)[C@H]([NH3+])c1nc(-c2cccs2)n[nH]1 ZINC000054700162 177013055 /nfs/dbraw/zinc/01/30/55/177013055.db2.gz BGUTVQJLMRBYTH-FSPLSTOPSA-N 1 0 224.289 0.914 10 0 BCAERO C[C@H](OC[C@@H]1CCC[NH2+]1)C(=O)N(C)C ZINC000051816231 177021199 /nfs/dbraw/zinc/02/11/99/177021199.db2.gz ZVABUFBLTPQJFH-IUCAKERBSA-N 1 0 200.282 0.232 10 0 BCAERO C[C@H]([NH3+])c1cccc(O[C@@H](C)C(N)=O)c1 ZINC000020419751 177024156 /nfs/dbraw/zinc/02/41/56/177024156.db2.gz DXKJGVHPGVBWAN-YUMQZZPRSA-N 1 0 208.261 0.959 10 0 BCAERO C[C@H]([C@@H]1CCC[NH2+]C1)N1CCCNC1=O ZINC000043373290 177030781 /nfs/dbraw/zinc/03/07/81/177030781.db2.gz SNTOXCDCBWNJBD-NXEZZACHSA-N 1 0 211.309 0.790 10 0 BCAERO C[C@H](c1ccc(N)cc1)[N@H+](C)CC(N)=O ZINC000040908813 177034335 /nfs/dbraw/zinc/03/43/35/177034335.db2.gz SLRPPKUTRFTWLY-MRVPVSSYSA-N 1 0 207.277 0.747 10 0 BCAERO C[C@H](c1cnn(C)c1)N1CCC[NH2+]CC1 ZINC000044500911 177052280 /nfs/dbraw/zinc/05/22/80/177052280.db2.gz DPRFQVLPOUKIBQ-SNVBAGLBSA-N 1 0 208.309 0.776 10 0 BCAERO C[C@H]1C(=O)NC[C@H]2C[N@@H+](CC3CC3)C[C@H]21 ZINC000096070432 177060296 /nfs/dbraw/zinc/06/02/96/177060296.db2.gz AYOJNLSDYPTDQB-MIMYLULJSA-N 1 0 208.305 0.710 10 0 BCAERO C[C@H]1CC(=O)N(CC[C@@H]2CCCC[NH2+]2)C1=O ZINC000103378819 177061283 /nfs/dbraw/zinc/06/12/83/177061283.db2.gz BFBTYHUSZHKCQI-UWVGGRQHSA-N 1 0 224.304 0.914 10 0 BCAERO C[C@H]1CC(=O)N(CCC[C@H]2CCC[NH2+]2)C1=O ZINC000052764889 177061917 /nfs/dbraw/zinc/06/19/17/177061917.db2.gz DVDYPJPWUCBOJH-VHSXEESVSA-N 1 0 224.304 0.914 10 0 BCAERO C[C@H]1CC(=O)N(c2ccc(OCC[NH3+])cc2)C1=O ZINC000103102668 177062763 /nfs/dbraw/zinc/06/27/63/177062763.db2.gz GGKVYLDCMKSNFW-VIFPVBQESA-N 1 0 248.282 0.924 10 0 BCAERO C[C@H]1CCCC[C@@]1(CO)[NH+]1CCNCC1 ZINC000038120537 177085389 /nfs/dbraw/zinc/08/53/89/177085389.db2.gz DDZSXBMDVJKMHJ-RYUDHWBXSA-N 1 0 212.337 0.833 10 0 BCAERO C[C@@H]1[C@@H](C)CCCN1S(=O)(=O)CC[NH3+] ZINC000050564993 177103038 /nfs/dbraw/zinc/10/30/38/177103038.db2.gz NMUNODNBRQHBKE-DTWKUNHWSA-N 1 0 220.338 0.395 10 0 BCAERO C[C@H](C(=O)N1CCC[C@@H]1C)N1CC[NH2+]CC1 ZINC000037912390 177107218 /nfs/dbraw/zinc/10/72/18/177107218.db2.gz FFCPXZJBGBFTCT-WDEREUQCSA-N 1 0 225.336 0.291 10 0 BCAERO C[C@H]1CCC[NH2+][C@@H]1C(=O)N1CCC(O)CC1 ZINC000051790695 177112439 /nfs/dbraw/zinc/11/24/39/177112439.db2.gz RNJDXJUUEMJTIV-ONGXEEELSA-N 1 0 226.320 0.358 10 0 BCAERO C[C@H]1CCC[C@@H](C(=O)NC[C@@H]2COCCO2)[NH2+]1 ZINC000038063078 177113556 /nfs/dbraw/zinc/11/35/56/177113556.db2.gz DOVWFRXKPCCKIN-AXFHLTTASA-N 1 0 242.319 0.049 10 0 BCAERO C[C@H]1CCC[C@@H](c2nnnn2CC[NH3+])C1 ZINC000044981491 177123476 /nfs/dbraw/zinc/12/34/76/177123476.db2.gz RNLSETKKZFDIEA-DTWKUNHWSA-N 1 0 209.297 0.926 10 0 BCAERO C[C@H]1CCC[C@H](CN2CCCS2(=O)=O)[NH2+]1 ZINC000051574872 177133463 /nfs/dbraw/zinc/13/34/63/177133463.db2.gz YBKZEONIWBFSAP-VHSXEESVSA-N 1 0 232.349 0.553 10 0 BCAERO C[C@H]1CCC[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC000037255661 177137603 /nfs/dbraw/zinc/13/76/03/177137603.db2.gz LVIWAKNZAGRMOD-YUMQZZPRSA-N 1 0 213.281 0.350 10 0 BCAERO C[C@H]1CCC[C@](CO)(NC(=O)[C@@H]2CC[NH2+]C2)C1 ZINC000062116881 177143871 /nfs/dbraw/zinc/14/38/71/177143871.db2.gz SGKOBQYZSQGTRA-LOWVWBTDSA-N 1 0 240.347 0.653 10 0 BCAERO C[C@H]1CCN(S(=O)(=O)C[C@@H]2CCC[NH2+]2)C1 ZINC000049644386 177168098 /nfs/dbraw/zinc/16/80/98/177168098.db2.gz FQWKEWGECBBUSH-UWVGGRQHSA-N 1 0 232.349 0.410 10 0 BCAERO C[C@H]1CCN(S(=O)(=O)C[C@@H]2CCC[NH2+]C2)C1 ZINC000049644378 177168338 /nfs/dbraw/zinc/16/83/38/177168338.db2.gz ZJXPNPOQGILYPN-WDEREUQCSA-N 1 0 246.376 0.658 10 0 BCAERO C[C@H]1CCN(S(C)(=O)=O)[C@@H](C[NH3+])C1 ZINC000235560513 177169486 /nfs/dbraw/zinc/16/94/86/177169486.db2.gz LNWIDOFUQNDFOL-JGVFFNPUSA-N 1 0 206.311 0.005 10 0 BCAERO C[C@H]1CC[C@@H](C(=O)NCCn2cccn2)C[NH2+]1 ZINC000042542763 177181158 /nfs/dbraw/zinc/18/11/58/177181158.db2.gz YHESQMMJPZMOAL-WDEREUQCSA-N 1 0 236.319 0.387 10 0 BCAERO C[C@H]1CC[C@@H](C(=O)NCc2ccnn2C)C[NH2+]1 ZINC000071335566 177182303 /nfs/dbraw/zinc/18/23/03/177182303.db2.gz RXJAXDVQUNXDQW-VHSXEESVSA-N 1 0 236.319 0.424 10 0 BCAERO C[C@H]1CC[C@@H](CNC(=O)NC2CC2)C[NH2+]1 ZINC000062037382 177190278 /nfs/dbraw/zinc/19/02/78/177190278.db2.gz DCOXBGQUYJISQA-DTWKUNHWSA-N 1 0 211.309 0.836 10 0 BCAERO C[C@H]1CC[C@H](C(=O)N2CCC(O)CC2)C[NH2+]1 ZINC000019470165 177196643 /nfs/dbraw/zinc/19/66/43/177196643.db2.gz FLLSSWKOFZCDTB-UWVGGRQHSA-N 1 0 226.320 0.358 10 0 BCAERO C[C@H]1CC[C@H](C(=O)N2CCOCC2)C[NH2+]1 ZINC000019510194 177196879 /nfs/dbraw/zinc/19/68/79/177196879.db2.gz LHGLFUHHARAXBM-UWVGGRQHSA-N 1 0 212.293 0.233 10 0 BCAERO C[C@H]1CC[C@H](C(=O)Nc2ccnn2C)C[NH2+]1 ZINC000044593820 177197439 /nfs/dbraw/zinc/19/74/39/177197439.db2.gz WBYWITLWUGCCOC-IUCAKERBSA-N 1 0 222.292 0.747 10 0 BCAERO C[C@H]1CN(C(=O)C(C)(C)[NH3+])C[C@H](C)O1 ZINC000040912426 177211954 /nfs/dbraw/zinc/21/19/54/177211954.db2.gz HHPXMRJFWZWENP-YUMQZZPRSA-N 1 0 200.282 0.360 10 0 BCAERO C[C@H]1CN(C(=O)C2(C[NH3+])CC2)CCCO1 ZINC000082641886 177212381 /nfs/dbraw/zinc/21/23/81/177212381.db2.gz WHCMKJPJUGOBBE-VIFPVBQESA-N 1 0 212.293 0.363 10 0 BCAERO C[C@H]1CN(C(=O)[C@@H]2CC[NH2+]C2)C[C@H](C)O1 ZINC000062112031 177222952 /nfs/dbraw/zinc/22/29/52/177222952.db2.gz KZEQQPAYKLWKMN-LPEHRKFASA-N 1 0 212.293 0.232 10 0 BCAERO C[C@H]1CN(C(=O)[C@@H]2CCC[NH2+]C2)CCO1 ZINC000019409654 177223413 /nfs/dbraw/zinc/22/34/13/177223413.db2.gz MYNSEOJBMMRFRF-VHSXEESVSA-N 1 0 212.293 0.233 10 0 BCAERO C[C@H]1CN(C(=O)c2ccc(=O)[nH]c2)C[C@@H]1[NH+](C)C ZINC000089710039 177226058 /nfs/dbraw/zinc/22/60/58/177226058.db2.gz PXYXFGSOTFSTIH-ONGXEEELSA-N 1 0 249.314 0.397 10 0 BCAERO C[C@H]1CN(C(=O)c2cccnc2)C[C@@H]1[NH3+] ZINC000235668715 177228926 /nfs/dbraw/zinc/22/89/26/177228926.db2.gz OEUVPBGEDNIHJY-WPRPVWTQSA-N 1 0 205.261 0.501 10 0 BCAERO C[C@H]1CN(C(=O)c2ncccc2O)C[C@H]1[NH+](C)C ZINC000089710433 177231534 /nfs/dbraw/zinc/23/15/34/177231534.db2.gz XOIXVPUJBLPMRR-VHSXEESVSA-N 1 0 249.314 0.809 10 0 BCAERO C[C@H]1CN(Cc2csc(C[NH3+])n2)CCO1 ZINC000052382549 177270707 /nfs/dbraw/zinc/27/07/07/177270707.db2.gz VJFOBUFDVHMTNI-QMMMGPOBSA-N 1 0 227.333 0.823 10 0 BCAERO C[C@H]1CN([C@@H](C[NH3+])C2CCOCC2)CCO1 ZINC000052176532 177274165 /nfs/dbraw/zinc/27/41/65/177274165.db2.gz NNAAMUDXSKZAMH-JQWIXIFHSA-N 1 0 228.336 0.461 10 0 BCAERO C[C@H]1CN(c2nc3cccnc3[nH]2)CC[NH2+]1 ZINC000095069524 177278564 /nfs/dbraw/zinc/27/85/64/177278564.db2.gz XGMLSDYPEZVNSY-QMMMGPOBSA-N 1 0 217.276 0.756 10 0 BCAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1nccc(N)n1 ZINC000135079961 177280541 /nfs/dbraw/zinc/28/05/41/177280541.db2.gz NHAZSJLUZVAEBU-WDEREUQCSA-N 1 0 247.346 0.727 10 0 BCAERO C[C@H]1C[NH+]=C(NC2CCS(=O)(=O)CC2)S1 ZINC000036332482 177281758 /nfs/dbraw/zinc/28/17/58/177281758.db2.gz HPINFJWUYDBSFF-ZETCQYMHSA-N 1 0 248.373 0.645 10 0 BCAERO C[C@H]1C[NH2+]CCCN1C(=O)C(F)(F)F ZINC000062570216 177282070 /nfs/dbraw/zinc/28/20/70/177282070.db2.gz WFXARLAPLKZYDN-LURJTMIESA-N 1 0 210.199 0.759 10 0 BCAERO C[C@H]1C[NH+]=C(NCc2nncn2C)S1 ZINC000050420764 177282090 /nfs/dbraw/zinc/28/20/90/177282090.db2.gz ZPQIBLAPTBUKKQ-LURJTMIESA-N 1 0 211.294 0.396 10 0 BCAERO C[C@H]1C[NH2+]CCN1c1nc2cccnc2[nH]1 ZINC000095069590 177284609 /nfs/dbraw/zinc/28/46/09/177284609.db2.gz CWDSLXSXFQJUQH-QMMMGPOBSA-N 1 0 217.276 0.756 10 0 BCAERO C[C@H]1C[NH2+]C[C@@H]1C(=O)N(C)C[C@@H]1CCCOC1 ZINC000104209870 177285277 /nfs/dbraw/zinc/28/52/77/177285277.db2.gz NCODHINKOOTTBU-SRVKXCTJSA-N 1 0 240.347 0.727 10 0 BCAERO C[C@H]1C[NH2+]C[C@@H]1C(=O)N(C)Cc1ccncc1 ZINC000104207810 177285707 /nfs/dbraw/zinc/28/57/07/177285707.db2.gz NXAILIVMNJMUBL-JQWIXIFHSA-N 1 0 233.315 0.896 10 0 BCAERO C[C@H]1C[NH2+]C[C@@H]1C(=O)NCCc1ccncc1 ZINC000104211439 177285888 /nfs/dbraw/zinc/28/58/88/177285888.db2.gz KLBMBWCNJJZGDC-JQWIXIFHSA-N 1 0 233.315 0.596 10 0 BCAERO C[C@H]1C[NH2+]C[C@@H]1C(=O)N(C)CCc1ccccn1 ZINC000104227065 177286097 /nfs/dbraw/zinc/28/60/97/177286097.db2.gz RAKKUAFRBVANAQ-AAEUAGOBSA-N 1 0 247.342 0.938 10 0 BCAERO C[C@H]1COCCN1C(=O)C[NH2+]C1CCCC1 ZINC000037482171 177289251 /nfs/dbraw/zinc/28/92/51/177289251.db2.gz UCCBYVLWEZKCEC-JTQLQIEISA-N 1 0 226.320 0.766 10 0 BCAERO C[C@H]1COCCN1C(=O)C[C@@H]1CCC[NH2+]1 ZINC000042166119 177289292 /nfs/dbraw/zinc/28/92/92/177289292.db2.gz YNBGGPSAADORON-UWVGGRQHSA-N 1 0 212.293 0.376 10 0 BCAERO C[C@H]1COCCN1C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000084309523 177289853 /nfs/dbraw/zinc/28/98/53/177289853.db2.gz QGGWSYFFVUDPES-HBNTYKKESA-N 1 0 226.320 0.609 10 0 BCAERO C[C@H]1COCCN1C(=O)[C@H]1CCC[NH2+]C1 ZINC000035776682 177290351 /nfs/dbraw/zinc/29/03/51/177290351.db2.gz UIDNNEBGOIJKTJ-UWVGGRQHSA-N 1 0 212.293 0.233 10 0 BCAERO C[C@H]1CO[C@@H](CO)CN1CCC[NH+](C)C ZINC000122147817 177300534 /nfs/dbraw/zinc/30/05/34/177300534.db2.gz XTOZQVFMTFGBRP-WDEREUQCSA-N 1 0 216.325 0.020 10 0 BCAERO C[C@H]1CSC(NCCN2CCOCC2)=[NH+]1 ZINC000035295024 177302648 /nfs/dbraw/zinc/30/26/48/177302648.db2.gz LHMPMVJUUNBBNS-VIFPVBQESA-N 1 0 229.349 0.400 10 0 BCAERO C[C@H](CN1CCOCC1)NC1=[NH+][C@@H](C)CS1 ZINC000049510407 177302888 /nfs/dbraw/zinc/30/28/88/177302888.db2.gz YVYKHBIOGRZWGL-ZJUUUORDSA-N 1 0 243.376 0.788 10 0 BCAERO C[C@H]1C[C@@H]1C(=O)N1CCN(CCC[NH3+])CC1 ZINC000037037772 177340440 /nfs/dbraw/zinc/34/04/40/177340440.db2.gz MMGKTPMORLSKPV-QWRGUYRKSA-N 1 0 225.336 0.135 10 0 BCAERO C[C@H]1C[C@H]1NS(=O)(=O)c1ccc(C[NH3+])cc1 ZINC000052287449 177386084 /nfs/dbraw/zinc/38/60/84/177386084.db2.gz YRAXKEHEVDDJPE-GZMMTYOYSA-N 1 0 240.328 0.832 10 0 BCAERO C[C@H]1C[C@H]1NS(=O)(=O)c1cccc(C[NH3+])c1 ZINC000052287426 177386138 /nfs/dbraw/zinc/38/61/38/177386138.db2.gz IBDVEGCWHKKZCV-GZMMTYOYSA-N 1 0 240.328 0.832 10 0 BCAERO C[C@H]1NC(=O)CC[C@@H]1[NH2+]Cc1ccncc1 ZINC000282327494 177392994 /nfs/dbraw/zinc/39/29/94/177392994.db2.gz LIZFXHQMTXQSBY-KOLCDFICSA-N 1 0 219.288 0.838 10 0 BCAERO C[C@H]1NC(=O)CC[C@@H]1[NH2+]Cc1ncc[nH]1 ZINC000336774223 177393033 /nfs/dbraw/zinc/39/30/33/177393033.db2.gz ZKAKTOCQQHPTHA-SFYZADRCSA-N 1 0 208.265 0.166 10 0 BCAERO C[C@H]1NC(=O)CC[C@@H]1[NH2+]CCCCCO ZINC000309119899 177393349 /nfs/dbraw/zinc/39/33/49/177393349.db2.gz NDUPJFHQJWRAOZ-ZJUUUORDSA-N 1 0 214.309 0.406 10 0 BCAERO C[C@H]1NC(=O)CC[C@H]1[NH2+]CC(C)(C)O ZINC000306426619 177393781 /nfs/dbraw/zinc/39/37/81/177393781.db2.gz KNVVFNYKWKWCCJ-HTQZYQBOSA-N 1 0 200.282 0.014 10 0 BCAERO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)c1ccccn1 ZINC000129489787 177395419 /nfs/dbraw/zinc/39/54/19/177395419.db2.gz WHGSHNULXHYJKV-ZJUUUORDSA-N 1 0 219.288 0.952 10 0 BCAERO C[C@H]1[NH2+]CCC[C@H]1Nc1nccn2cnnc12 ZINC000229607672 177397095 /nfs/dbraw/zinc/39/70/95/177397095.db2.gz DJJKKGMAQVIIIR-RKDXNWHRSA-N 1 0 232.291 0.677 10 0 BCAERO C[C@H]1OCC[C@H]1NC(=O)[C@@H]1CCC[NH2+]C1 ZINC000134256753 177406540 /nfs/dbraw/zinc/40/65/40/177406540.db2.gz WRCQAXPJWKAOCP-OPRDCNLKSA-N 1 0 212.293 0.280 10 0 BCAERO C[C@]([NH3+])(CN1CCS(=O)CC1)C1CC1 ZINC000049692990 177445078 /nfs/dbraw/zinc/44/50/78/177445078.db2.gz XPPDPLFKQPYHNC-JTQLQIEISA-N 1 0 216.350 0.178 10 0 BCAERO C[C@]1(C(=O)N2CCC[C@@H](CO)C2)CCC[NH2+]C1 ZINC000062854332 177453586 /nfs/dbraw/zinc/45/35/86/177453586.db2.gz XPBKVHFANHTVTM-YPMHNXCESA-N 1 0 240.347 0.607 10 0 BCAERO Cc1n[nH]cc1C(=O)N[C@@H]1CCCC[C@@H]1[NH3+] ZINC000070630679 177547253 /nfs/dbraw/zinc/54/72/53/177547253.db2.gz BENWMULMJAXQJX-VHSXEESVSA-N 1 0 222.292 0.718 10 0 BCAERO [NH3+][C@H]1C[C@@H](C(=O)NCC[C@@H]2CCCO2)C1 ZINC000647917999 487640213 /nfs/dbraw/zinc/64/02/13/487640213.db2.gz OYSMIUKVIRFJBM-AEJSXWLSSA-N 1 0 212.293 0.409 10 0 BCAERO CCc1nsc(N2CCCO[C@H](C[NH3+])C2)n1 ZINC000313352401 487640618 /nfs/dbraw/zinc/64/06/18/487640618.db2.gz YDRYVRKHJDQEOP-MRVPVSSYSA-N 1 0 242.348 0.655 10 0 BCAERO CC(C)[NH2+]CC(=O)NCC[C@H]1CCCO1 ZINC000038097078 487641331 /nfs/dbraw/zinc/64/13/31/487641331.db2.gz NCDVWZLJJPFWLX-SNVBAGLBSA-N 1 0 214.309 0.670 10 0 BCAERO O=C1NC[C@@H](C[NH+]2CCC(CCCO)CC2)O1 ZINC000400982644 226352435 /nfs/dbraw/zinc/35/24/35/226352435.db2.gz WIBSIOZCCTYCNV-NSHDSACASA-N 1 0 242.319 0.579 10 0 BCAERO CC(C)OC[C@H](O)CN1CC[C@@H]([NH+](C)C)C1 ZINC000226128016 487658879 /nfs/dbraw/zinc/65/88/79/487658879.db2.gz CQVPONYFYRAAES-VXGBXAGGSA-N 1 0 230.352 0.408 10 0 BCAERO CC(C)[C@@H](O)C[N@@H+]1CC[C@H](N(C)C)C1 ZINC000087538676 487666619 /nfs/dbraw/zinc/66/66/19/487666619.db2.gz PHHXBPTUVWMXRD-QWRGUYRKSA-N 1 0 200.326 0.639 10 0 BCAERO COC[C@@H]([NH2+]C[C@H]1CNC(=O)O1)C1CC1 ZINC000308917743 229258479 /nfs/dbraw/zinc/25/84/79/229258479.db2.gz GJGSKEOCKQCBRU-DTWKUNHWSA-N 1 0 214.265 0.109 10 0 BCAERO C[C@H](O)CCNC(=O)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000087620066 487672638 /nfs/dbraw/zinc/67/26/38/487672638.db2.gz SXUJJYLLLOYWET-GXFFZTMASA-N 1 0 248.326 0.761 10 0 BCAERO CC(=O)N[C@@H]1CC[N@H+](C[C@@H]2CCC[C@H](O)C2)C1 ZINC000383884050 487678429 /nfs/dbraw/zinc/67/84/29/487678429.db2.gz KFIWRROXHTYWLJ-UPJWGTAASA-N 1 0 240.347 0.748 10 0 BCAERO CC(=O)N[C@@H]1CC[N@H+](C[C@H]2CCC[C@@H](O)C2)C1 ZINC000383884060 487678617 /nfs/dbraw/zinc/67/86/17/487678617.db2.gz KFIWRROXHTYWLJ-YNEHKIRRSA-N 1 0 240.347 0.748 10 0 BCAERO C[NH2+][C@H](C)C(=O)N[C@@H](C)[C@H]1CCCO1 ZINC000054072232 487680793 /nfs/dbraw/zinc/68/07/93/487680793.db2.gz FLQWRWZVZYUIIN-DJLDLDEBSA-N 1 0 200.282 0.278 10 0 BCAERO C[NH2+][C@H](C)C(=O)NCCc1ccccn1 ZINC000054071780 487681205 /nfs/dbraw/zinc/68/12/05/487681205.db2.gz FUMGAYHZNSUGEY-SECBINFHSA-N 1 0 207.277 0.348 10 0 BCAERO C[NH2+][C@H](C)C(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000054075244 487682062 /nfs/dbraw/zinc/68/20/62/487682062.db2.gz HDRZOBKVBSRWOT-VWYCJHECSA-N 1 0 226.320 0.764 10 0 BCAERO C[NH2+][C@H](C)C(=O)Nc1ccc(F)c(C(N)=O)c1 ZINC000054073706 487682115 /nfs/dbraw/zinc/68/21/15/487682115.db2.gz RNWKOWKDEJQBKH-ZCFIWIBFSA-N 1 0 239.250 0.471 10 0 BCAERO CCN(C[C@H]1CCOC1)C(=O)[C@@H](C)[NH2+]C ZINC000054075588 487683743 /nfs/dbraw/zinc/68/37/43/487683743.db2.gz ICDIYFSTLQFQHO-NXEZZACHSA-N 1 0 214.309 0.479 10 0 BCAERO CCN(C[C@H]1CCCO1)C(=O)[C@@H](C)[NH2+]C ZINC000054076564 487683868 /nfs/dbraw/zinc/68/38/68/487683868.db2.gz YAFPVQDOSDXHCI-NXEZZACHSA-N 1 0 214.309 0.622 10 0 BCAERO C[C@H]([NH3+])[C@H](C)C(=O)N[C@@H]1CCC[C@@H](O)C1 ZINC000228597876 487686254 /nfs/dbraw/zinc/68/62/54/487686254.db2.gz DMYXCGIWHWRAPA-AXTSPUMRSA-N 1 0 214.309 0.389 10 0 BCAERO CCN(CC[NH3+])c1ccc(S(C)(=O)=O)cc1 ZINC000082592010 487686338 /nfs/dbraw/zinc/68/63/38/487686338.db2.gz UIWAHYHVNUCJKM-UHFFFAOYSA-N 1 0 242.344 0.875 10 0 BCAERO C[NH2+][C@H](C)C(=O)NC[C@@]1(C)CCCS1 ZINC000087796819 487688353 /nfs/dbraw/zinc/68/83/53/487688353.db2.gz OTENUYFOANCWBG-PSASIEDQSA-N 1 0 216.350 0.996 10 0 BCAERO O[C@@H]1CC[C@H]2C[N@H+](CCn3cccn3)C[C@@H]2C1 ZINC000398802835 262770219 /nfs/dbraw/zinc/77/02/19/262770219.db2.gz RUHBARUBUYKQDP-RWMBFGLXSA-N 1 0 235.331 0.976 10 0 BCAERO COC[C@H]([NH3+])C(=O)N(C)Cc1ccsc1 ZINC000088002817 487698368 /nfs/dbraw/zinc/69/83/68/487698368.db2.gz WIBYNZHLTUEXDL-VIFPVBQESA-N 1 0 228.317 0.680 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)N2CC[NH2+]CC2(C)C)O1 ZINC000088142194 487705635 /nfs/dbraw/zinc/70/56/35/487705635.db2.gz QNANPMZLPHRKKP-NXEZZACHSA-N 1 0 226.320 0.764 10 0 BCAERO O=C1CC[C@H]2C[N@H+]([C@@H]3CCC[C@H]3O)CCN12 ZINC000226289955 487708987 /nfs/dbraw/zinc/70/89/87/487708987.db2.gz OEBIUXXLFMWJRK-HBNTYKKESA-N 1 0 224.304 0.206 10 0 BCAERO C[C@@H](NC(=O)COC1CC[NH2+]CC1)C1CC1 ZINC000082665872 487715503 /nfs/dbraw/zinc/71/55/03/487715503.db2.gz JCWSGBGRYKUZRR-SECBINFHSA-N 1 0 226.320 0.670 10 0 BCAERO C[C@H](NC(=O)COC1(C)C[NH2+]C1)[C@@H]1CCCO1 ZINC000098061028 487718697 /nfs/dbraw/zinc/71/86/97/487718697.db2.gz XQICHHQWCMHRSU-UWVGGRQHSA-N 1 0 242.319 0.049 10 0 BCAERO COC[C@H](O)C[NH2+]C[C@H]1CCCC[C@H]1O ZINC000250487269 487733122 /nfs/dbraw/zinc/73/31/22/487733122.db2.gz ZPYRBQNATIKOEJ-GMTAPVOTSA-N 1 0 217.309 0.134 10 0 BCAERO C[NH2+][C@H](C)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000054073609 487736838 /nfs/dbraw/zinc/73/68/38/487736838.db2.gz VTGTYPJGAXWSJR-GMTAPVOTSA-N 1 0 225.336 0.337 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)NC[C@H]1CCC[C@H]1O ZINC000250632359 487737486 /nfs/dbraw/zinc/73/74/86/487737486.db2.gz DGWYXWOETFUXJC-WHOHXGKFSA-N 1 0 240.347 0.639 10 0 BCAERO CCn1ncnc1C[NH2+]C[C@@H]1CCCC[C@@H]1O ZINC000088592527 487737948 /nfs/dbraw/zinc/73/79/48/487737948.db2.gz QXYHEORZPJCOEX-QWRGUYRKSA-N 1 0 238.335 0.939 10 0 BCAERO C[C@@H]1OCC[C@H]1[NH2+][C@H]1CCC(=O)NC1(C)C ZINC000309815611 487738415 /nfs/dbraw/zinc/73/84/15/487738415.db2.gz VFCIVWCWVWRXAF-AEJSXWLSSA-N 1 0 226.320 0.811 10 0 BCAERO CCCCOC[C@H](O)C[N@H+](C)C[C@H](O)C1CC1 ZINC000683995354 487738934 /nfs/dbraw/zinc/73/89/34/487738934.db2.gz NVVNPDSPEAGORX-OLZOCXBDSA-N 1 0 245.363 0.867 10 0 BCAERO O=C(NC[C@H]1C[NH2+]CCO1)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000250820140 487739841 /nfs/dbraw/zinc/73/98/41/487739841.db2.gz FXZPOJLGKKLKDZ-LMLFDSFASA-N 1 0 224.304 0.137 10 0 BCAERO Cc1c(CNC(=O)C[C@H]([NH3+])C(C)C)cnn1C ZINC000226415372 487739964 /nfs/dbraw/zinc/73/99/64/487739964.db2.gz ZJYGTVFHGOOYFN-NSHDSACASA-N 1 0 238.335 0.718 10 0 BCAERO C[C@H]1CN(C(=O)[C@@H]2C[C@H]3C[C@H]3C2)CC[NH2+]1 ZINC000250840294 487743039 /nfs/dbraw/zinc/74/30/39/487743039.db2.gz BCRHTEAPIAEQRO-MMWGEVLESA-N 1 0 208.305 0.853 10 0 BCAERO [NH3+]C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000250839093 487743311 /nfs/dbraw/zinc/74/33/11/487743311.db2.gz LOESSFLCUHJRRT-MMWGEVLESA-N 1 0 208.305 0.840 10 0 BCAERO O=C(NC[C@H]1CCC[NH2+]1)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000250983969 487745312 /nfs/dbraw/zinc/74/53/12/487745312.db2.gz BQYZKLGBDBMNFN-LMLFDSFASA-N 1 0 208.305 0.901 10 0 BCAERO O=C(NC[C@@H]1CCC[NH2+]1)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000250983976 487745345 /nfs/dbraw/zinc/74/53/45/487745345.db2.gz BQYZKLGBDBMNFN-VLEAKVRGSA-N 1 0 208.305 0.901 10 0 BCAERO O=C([C@H]1C[NH2+]CCOC1)N1CCC2(CCC2)C1 ZINC000643700393 487749148 /nfs/dbraw/zinc/74/91/48/487749148.db2.gz ZDOSTRALFAJJCG-NSHDSACASA-N 1 0 238.331 0.625 10 0 BCAERO C[C@@H](O)C1CCN(C(=O)CC(C)(C)[NH3+])CC1 ZINC000178500440 487753329 /nfs/dbraw/zinc/75/33/29/487753329.db2.gz KGEUZJTVVWQHKG-SECBINFHSA-N 1 0 228.336 0.733 10 0 BCAERO C[NH2+][C@H](C)C(=O)N(C)C[C@H]1CCCO1 ZINC000054076558 487761763 /nfs/dbraw/zinc/76/17/63/487761763.db2.gz BYZUJLWSHBRXCG-RKDXNWHRSA-N 1 0 200.282 0.232 10 0 BCAERO C[C@H](O)CCNC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000082996373 487769122 /nfs/dbraw/zinc/76/91/22/487769122.db2.gz PILKDNINHIWFTA-YIZRAAEISA-N 1 0 200.282 0.001 10 0 BCAERO COC[C@@H](O)C[NH2+]C[C@@H]1CCCC[C@@H]1O ZINC000082994674 487769418 /nfs/dbraw/zinc/76/94/18/487769418.db2.gz ZPYRBQNATIKOEJ-DCAQKATOSA-N 1 0 217.309 0.134 10 0 BCAERO CC(C)COC[C@H](O)C[NH2+]CC[C@H](C)O ZINC000082995606 487769511 /nfs/dbraw/zinc/76/95/11/487769511.db2.gz HPVZKQBZHDAIGV-WDEREUQCSA-N 1 0 219.325 0.380 10 0 BCAERO C[C@H](NC(=O)[C@H]1CCC[C@H]1C[NH3+])c1cn[nH]c1 ZINC000300416096 487782756 /nfs/dbraw/zinc/78/27/56/487782756.db2.gz IKEWCOWVLGIMOZ-QXEWZRGKSA-N 1 0 236.319 0.962 10 0 BCAERO CO[C@H](C)C(=O)N(C)[C@H](C[NH3+])C(F)(F)F ZINC000662981075 487783075 /nfs/dbraw/zinc/78/30/75/487783075.db2.gz BOASWJURASAKHA-PHDIDXHHSA-N 1 0 228.214 0.369 10 0 BCAERO CO[C@@H](C)C(=O)N(C)[C@H](C[NH3+])C(F)(F)F ZINC000662981072 487783538 /nfs/dbraw/zinc/78/35/38/487783538.db2.gz BOASWJURASAKHA-NTSWFWBYSA-N 1 0 228.214 0.369 10 0 BCAERO CO[C@@H](C)C(=O)N(C)[C@@H](C[NH3+])C(F)(F)F ZINC000662981078 487783693 /nfs/dbraw/zinc/78/36/93/487783693.db2.gz BOASWJURASAKHA-WDSKDSINSA-N 1 0 228.214 0.369 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)N[C@@H]1CCCC[C@H]1O ZINC000227328437 487784196 /nfs/dbraw/zinc/78/41/96/487784196.db2.gz COVNHOUDEDJQFB-GMTAPVOTSA-N 1 0 228.336 0.780 10 0 BCAERO CO[C@H](C)CNC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000223709025 487790717 /nfs/dbraw/zinc/79/07/17/487790717.db2.gz AEGCPUUDQOLWRY-BBBLOLIVSA-N 1 0 214.309 0.513 10 0 BCAERO C[C@@H]1CN(C(=O)[C@@H]2CCC[C@H]2C[NH3+])CCO1 ZINC000251876021 487804918 /nfs/dbraw/zinc/80/49/18/487804918.db2.gz UJZZOFBMTMIOHY-OUAUKWLOSA-N 1 0 226.320 0.609 10 0 BCAERO CNC(=O)[C@H](C)CN(C)C(=O)C[C@@H]([NH3+])C(C)C ZINC000234364624 487808603 /nfs/dbraw/zinc/80/86/03/487808603.db2.gz OPCXEDBWCYYATP-NXEZZACHSA-N 1 0 243.351 0.200 10 0 BCAERO CC1(C)CN(C(=O)[C@@H]2CCC[C@H]2C[NH3+])CCO1 ZINC000089451148 487816190 /nfs/dbraw/zinc/81/61/90/487816190.db2.gz NDAPPDBUKKGCLZ-WDEREUQCSA-N 1 0 240.347 0.999 10 0 BCAERO CN(C(=O)[C@H]1CCC[C@@H]1C[NH3+])C1CCOCC1 ZINC000089451154 487816220 /nfs/dbraw/zinc/81/62/20/487816220.db2.gz RKAPRFOCIQNOEA-PWSUYJOCSA-N 1 0 240.347 0.999 10 0 BCAERO CN(C[C@@H]1CCCO1)C(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089460403 487822453 /nfs/dbraw/zinc/82/24/53/487822453.db2.gz GNOLFQPKVZLQRI-WOPDTQHZSA-N 1 0 240.347 0.999 10 0 BCAERO Cn1cc(CNC(=O)[C@H]2CCC[C@H]2C[NH3+])cn1 ZINC000089460296 487822482 /nfs/dbraw/zinc/82/24/82/487822482.db2.gz XSZXDZUAMPTKFR-QWRGUYRKSA-N 1 0 236.319 0.411 10 0 BCAERO CN(Cc1cn[nH]c1)C(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089462844 487823096 /nfs/dbraw/zinc/82/30/96/487823096.db2.gz ILOMGWYRRBGVTR-MNOVXSKESA-N 1 0 236.319 0.743 10 0 BCAERO Cc1cc(CNC(=O)[C@H]2CCC[C@@H]2C[NH3+])no1 ZINC000089460984 487823833 /nfs/dbraw/zinc/82/38/33/487823833.db2.gz BOMRFZASSSCSBK-KOLCDFICSA-N 1 0 237.303 0.974 10 0 BCAERO C[NH2+][C@H](C)CNC(=O)CCOCC(F)F ZINC000234426927 487826120 /nfs/dbraw/zinc/82/61/20/487826120.db2.gz UOEQQELMVHJNCC-SSDOTTSWSA-N 1 0 224.251 0.382 10 0 BCAERO C([C@@H]1CC[NH2+]C1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000227374837 487826412 /nfs/dbraw/zinc/82/64/12/487826412.db2.gz KMLKOMKZALRYPL-CHWSQXEVSA-N 1 0 223.364 0.766 10 0 BCAERO CN1CCO[C@H](C[N@H+](C)[C@@H]2CCCC[C@H]2O)C1 ZINC000252725466 487830931 /nfs/dbraw/zinc/83/09/31/487830931.db2.gz JCTJYGUVZRTXMR-YNEHKIRRSA-N 1 0 242.363 0.552 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)N[C@@H]1CCO[C@H]1C ZINC000252738114 487831723 /nfs/dbraw/zinc/83/17/23/487831723.db2.gz CXRRDOWKYQQSKZ-IVZWLZJFSA-N 1 0 214.309 0.653 10 0 BCAERO C[C@@H]1OCC[C@@H]1NC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000252741791 487832580 /nfs/dbraw/zinc/83/25/80/487832580.db2.gz JBIFFFLNONYSSA-VLEAKVRGSA-N 1 0 226.320 0.655 10 0 BCAERO COC1(CC(=O)N2C[C@@H](C)[C@H]([NH3+])C2)CCC1 ZINC000234586420 487841713 /nfs/dbraw/zinc/84/17/13/487841713.db2.gz HAPKPGJYVQFQIN-NXEZZACHSA-N 1 0 226.320 0.751 10 0 BCAERO C[C@H]1CN(C[C@H]2C[NH2+]CCO2)CCS1 ZINC000252978951 487841725 /nfs/dbraw/zinc/84/17/25/487841725.db2.gz FKFBGMRJAYWSAV-VHSXEESVSA-N 1 0 216.350 0.412 10 0 BCAERO COC1(CC(=O)NC[C@H]2CC[NH2+]C2)CCC1 ZINC000234602116 487843733 /nfs/dbraw/zinc/84/37/33/487843733.db2.gz ZRIDXFRIMVTZQB-JTQLQIEISA-N 1 0 226.320 0.671 10 0 BCAERO CC[C@@H](NC(=O)c1cn(CC[NH3+])nn1)C(C)C ZINC000089700478 487845932 /nfs/dbraw/zinc/84/59/32/487845932.db2.gz QYBALDJMZZBYOA-SECBINFHSA-N 1 0 239.323 0.401 10 0 BCAERO CO[C@@H]1C[N@H+](C[C@H]2CCC[C@H](O)C2)C[C@H]1O ZINC000395332394 487852920 /nfs/dbraw/zinc/85/29/20/487852920.db2.gz RWRPWURYIBEUMQ-NNYUYHANSA-N 1 0 229.320 0.229 10 0 BCAERO CC[S@@](=O)CC[NH2+][C@@H]1CCCC[C@H]1O ZINC000226238141 640739975 /nfs/dbraw/zinc/73/99/75/640739975.db2.gz XVJMRBKVIXFRMO-GPCCPHFNSA-N 1 0 219.350 0.648 10 0 BCAERO C[C@@H](C[NH3+])Nc1ncc(Br)cn1 ZINC000082662531 322959892 /nfs/dbraw/zinc/95/98/92/322959892.db2.gz QLZSFFFPXRELLB-YFKPBYRVSA-N 1 0 231.097 0.998 10 0 BCAERO CC(C)[C@H](C)[N@@H+]1CC[C@@H](O)[C@H](CO)C1 ZINC000307295314 487877614 /nfs/dbraw/zinc/87/76/14/487877614.db2.gz HGPDLCSQTORPPC-GARJFASQSA-N 1 0 201.310 0.706 10 0 BCAERO CC(C)NC(=O)CC[NH2+]CC(C)(C)O ZINC000083464535 487913173 /nfs/dbraw/zinc/91/31/73/487913173.db2.gz XQVTZLFPEIHPBH-UHFFFAOYSA-N 1 0 202.298 0.262 10 0 BCAERO O=C(N[C@H]1CCC[C@@H](O)C1)[C@H]1CCC[NH2+]1 ZINC000157544218 487914990 /nfs/dbraw/zinc/91/49/90/487914990.db2.gz FUCGFLITDNYGND-IVZWLZJFSA-N 1 0 212.293 0.158 10 0 BCAERO C[N@@H+]1CCC[C@H]1CN(CCCO)C1CC1 ZINC000404296634 487916659 /nfs/dbraw/zinc/91/66/59/487916659.db2.gz CZSFAYVZKLOLFZ-LBPRGKRZSA-N 1 0 212.337 0.927 10 0 BCAERO CC(C)[NH2+]CCC(=O)N1CCC([C@@H](C)O)CC1 ZINC000157777982 487921084 /nfs/dbraw/zinc/92/10/84/487921084.db2.gz BPTIYAGZHPBKQP-LLVKDONJSA-N 1 0 242.363 0.994 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)NCCc1ncc[nH]1 ZINC000157933637 487930312 /nfs/dbraw/zinc/93/03/12/487930312.db2.gz TVAPQMIQMAWTTD-VHSXEESVSA-N 1 0 236.319 0.443 10 0 BCAERO Cc1nnsc1C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000235329145 487942236 /nfs/dbraw/zinc/94/22/36/487942236.db2.gz APWPVGOVMFMYPH-IYSWYEEDSA-N 1 0 226.305 0.266 10 0 BCAERO CCc1cc(=O)[nH]c(C[NH2+][C@@H](C)COC)n1 ZINC000309426317 487946216 /nfs/dbraw/zinc/94/62/16/487946216.db2.gz FILIPVJVCKKERL-QMMMGPOBSA-N 1 0 225.292 0.869 10 0 BCAERO [NH3+][C@H]1CCCN(C(=O)c2n[nH]c3c2CCCC3)C1 ZINC000158438921 487956489 /nfs/dbraw/zinc/95/64/89/487956489.db2.gz USOAHTNEGFBDRN-VIFPVBQESA-N 1 0 248.330 0.852 10 0 BCAERO c1cncc(CCN2CCO[C@@H]3C[NH2+]C[C@@H]32)c1 ZINC000569609450 322972698 /nfs/dbraw/zinc/97/26/98/322972698.db2.gz ZXCBPPJGGDIVSC-QWHCGFSZSA-N 1 0 233.315 0.297 10 0 BCAERO CC(C)C[C@H](CO)[NH2+]CC1(O)CCC1 ZINC000563143536 323095193 /nfs/dbraw/zinc/09/51/93/323095193.db2.gz SHGBXZUDKCKGFY-SNVBAGLBSA-N 1 0 201.310 0.898 10 0 BCAERO O=C(CC1CCC1)N1CC[C@H]2OCC[NH2+][C@H]2C1 ZINC000404023316 323101675 /nfs/dbraw/zinc/10/16/75/323101675.db2.gz ULXSUWHQFMSQSI-NWDGAFQWSA-N 1 0 238.331 0.766 10 0 BCAERO CC1(S(=O)(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)CC1 ZINC000563621578 323132019 /nfs/dbraw/zinc/13/20/19/323132019.db2.gz ABFSKNJNOAADDC-LPEHRKFASA-N 1 0 244.360 0.538 10 0 BCAERO Cc1ccc(NC(=O)NC[C@H]2C[NH2+]C[C@H]2O)cc1 ZINC000414654439 323150960 /nfs/dbraw/zinc/15/09/60/323150960.db2.gz FZQLTHGIAYPOAU-ZYHUDNBSSA-N 1 0 249.314 0.697 10 0 BCAERO C[C@H]1C[C@H]([NH2+]CC2CC(O)C2)CN1C1CC1 ZINC000229935144 323158164 /nfs/dbraw/zinc/15/81/64/323158164.db2.gz RZDIIZNMEDFFCB-URAGZPLESA-N 1 0 224.348 0.972 10 0 BCAERO CCCCOC[C@H](O)C[N@@H+]1C[C@@H](O)[C@@H](CC)C1 ZINC000400024538 323182899 /nfs/dbraw/zinc/18/28/99/323182899.db2.gz DYCFFENJUOFLAY-YNEHKIRRSA-N 1 0 245.363 0.867 10 0 BCAERO Cc1cnccc1CN1CC[C@H]2OCC[NH2+][C@@H]2C1 ZINC000530225663 323218875 /nfs/dbraw/zinc/21/88/75/323218875.db2.gz OVLSNHZILCWGHT-ZIAGYGMSSA-N 1 0 247.342 0.953 10 0 BCAERO C[C@H]1[NH2+]CCC[C@@H]1C(=O)Nc1nncs1 ZINC000395231172 323222480 /nfs/dbraw/zinc/22/24/80/323222480.db2.gz CCPMCLFDGNHJTE-RQJHMYQMSA-N 1 0 226.305 0.865 10 0 BCAERO COC[C@@H](C)C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000103435327 323248457 /nfs/dbraw/zinc/24/84/57/323248457.db2.gz ZMPKLIBMTGZDDY-NXEZZACHSA-N 1 0 228.336 0.868 10 0 BCAERO CC[C@H](C)C(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000309486712 323414121 /nfs/dbraw/zinc/41/41/21/323414121.db2.gz GSSWGGHKUCUYGQ-LPEHRKFASA-N 1 0 212.293 0.232 10 0 BCAERO OC1(C[NH2+]CCc2ccncc2)CCOCC1 ZINC000162333948 323605878 /nfs/dbraw/zinc/60/58/78/323605878.db2.gz KMTNJTKUTIPHJK-UHFFFAOYSA-N 1 0 236.315 0.755 10 0 BCAERO CC1(C)[C@H]([NH3+])[C@H]2CCCS(=O)(=O)[C@H]21 ZINC000536953313 323960493 /nfs/dbraw/zinc/96/04/93/323960493.db2.gz HCQQMMJHCASZLZ-BWZBUEFSSA-N 1 0 203.307 0.547 10 0 BCAERO C[C@@H](CN1CCOCC1)[NH2+][C@@H]1CCO[C@@H]1C ZINC000120182392 323980806 /nfs/dbraw/zinc/98/08/06/323980806.db2.gz MEGVSZZMJIWQSF-QJPTWQEYSA-N 1 0 228.336 0.474 10 0 BCAERO Cc1cc(CNC(=O)C2CCC([NH3+])CC2)[nH]n1 ZINC000083904822 487963827 /nfs/dbraw/zinc/96/38/27/487963827.db2.gz RTRJMCBIGGHKQI-UHFFFAOYSA-N 1 0 236.319 0.852 10 0 BCAERO COCC(C)(C)NC(=O)C[C@H]1CCC[NH2+]C1 ZINC000125393082 324639896 /nfs/dbraw/zinc/63/98/96/324639896.db2.gz XKSAALYPMYDBDZ-SNVBAGLBSA-N 1 0 228.336 0.917 10 0 BCAERO COC[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000128389520 324832179 /nfs/dbraw/zinc/83/21/79/324832179.db2.gz YZHULFTZAXYGSK-IVZWLZJFSA-N 1 0 214.309 0.655 10 0 BCAERO COC[C@@H](C)C(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000128389715 324832634 /nfs/dbraw/zinc/83/26/34/324832634.db2.gz YZHULFTZAXYGSK-OPRDCNLKSA-N 1 0 214.309 0.655 10 0 BCAERO CCN(C)C(=O)CC[NH+]1[C@@H](C)COC[C@@H]1C ZINC000130507205 325058870 /nfs/dbraw/zinc/05/88/70/325058870.db2.gz VLUBYRQXJXQDBR-QWRGUYRKSA-N 1 0 228.336 0.964 10 0 BCAERO C[C@H]1CCCN1C(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000131241274 325128909 /nfs/dbraw/zinc/12/89/09/325128909.db2.gz YKRCSILRNAYPHQ-NSHDSACASA-N 1 0 239.363 0.681 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N(C)[C@@H]1CCOC1 ZINC000133905298 325328416 /nfs/dbraw/zinc/32/84/16/325328416.db2.gz KJVWUSCTYXPLAZ-OPRDCNLKSA-N 1 0 212.293 0.089 10 0 BCAERO COC(=O)c1ccc(NC2C[NH2+]C2)nc1C ZINC000133916176 325329766 /nfs/dbraw/zinc/32/97/66/325329766.db2.gz DSCKEXQEUSQWCL-UHFFFAOYSA-N 1 0 221.260 0.560 10 0 BCAERO CC(C)(O)C[NH2+]CC(=O)Nc1ccccc1 ZINC000078514739 325421267 /nfs/dbraw/zinc/42/12/67/325421267.db2.gz RBHNWQBSURUNAN-UHFFFAOYSA-N 1 0 222.288 0.986 10 0 BCAERO CCCn1ncnc1CN1CCC[C@H]1C[NH3+] ZINC000083978789 325578160 /nfs/dbraw/zinc/57/81/60/325578160.db2.gz WTGLLVIMLBFOJN-JTQLQIEISA-N 1 0 223.324 0.611 10 0 BCAERO [NH3+]C1CCC(C(=O)N[C@H]2CCCC[C@@H]2O)CC1 ZINC000052009696 487970835 /nfs/dbraw/zinc/97/08/35/487970835.db2.gz QWLUWNROPYDMFX-QQFIATSDSA-N 1 0 240.347 0.924 10 0 BCAERO OC[C@@H]1C[C@H]1[NH2+]Cc1cnn2ccccc12 ZINC000309579086 326161457 /nfs/dbraw/zinc/16/14/57/326161457.db2.gz PTKDXSJFZITNJB-GXSJLCMTSA-N 1 0 217.272 0.805 10 0 BCAERO CCC[C@@H](C(=O)N[C@@H](C)CCO)[NH+](C)C ZINC000155779016 326211429 /nfs/dbraw/zinc/21/14/29/326211429.db2.gz NKJAMVJGTLSMRD-UWVGGRQHSA-N 1 0 216.325 0.604 10 0 BCAERO CC[C@H](O)CCNC(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000158084774 326307870 /nfs/dbraw/zinc/30/78/70/326307870.db2.gz JTZYOGUFVUNDKM-VWYCJHECSA-N 1 0 228.336 0.781 10 0 BCAERO Cc1ncc(C[NH2+][C@H]2CCC(=O)N[C@H]2C)n1C ZINC000568269568 326338097 /nfs/dbraw/zinc/33/80/97/326338097.db2.gz PGTRLWVRMYSNNV-KWQFWETISA-N 1 0 236.319 0.485 10 0 BCAERO CCCCOC[C@@H](O)C[NH2+]C[C@@H](O)C1CCC1 ZINC000315802788 326342846 /nfs/dbraw/zinc/34/28/46/326342846.db2.gz WIBKZLCYDDQTIQ-QWHCGFSZSA-N 1 0 245.363 0.915 10 0 BCAERO CCc1nnc(CN2CC[C@H]([NH3+])[C@@H](C)C2)n1C ZINC000568512303 326361842 /nfs/dbraw/zinc/36/18/42/326361842.db2.gz WBWIGOATJXECDD-UWVGGRQHSA-N 1 0 237.351 0.547 10 0 BCAERO [NH3+][C@@H]1CC[C@@H](C(=O)N2CCOCC23CCC3)C1 ZINC000569014207 326386667 /nfs/dbraw/zinc/38/66/67/326386667.db2.gz NRBYKDMRDCMCDY-GHMZBOCLSA-N 1 0 238.331 0.895 10 0 BCAERO CO[C@H](C)CCC(=O)N1CCC[C@H]1C[NH3+] ZINC000166794268 326435085 /nfs/dbraw/zinc/43/50/85/326435085.db2.gz YLJQBRJMCKRFLU-ZJUUUORDSA-N 1 0 214.309 0.751 10 0 BCAERO CC(C)[C@H]([NH3+])C(=O)N[C@@H]1CCO[C@@H]1C ZINC000134257082 487976004 /nfs/dbraw/zinc/97/60/04/487976004.db2.gz LQWMHXNXIKRBBP-HLTSFMKQSA-N 1 0 200.282 0.263 10 0 BCAERO CN1CCC[C@H]([NH2+]CC2(O)CCOCC2)C1 ZINC000134292416 487978022 /nfs/dbraw/zinc/97/80/22/487978022.db2.gz HEMXYPGONACNFD-NSHDSACASA-N 1 0 228.336 0.212 10 0 BCAERO C[C@@H]1C[N@H+](C[C@@H]2CCC[C@@H](O)C2)C[C@H]1O ZINC000387900682 487983471 /nfs/dbraw/zinc/98/34/71/487983471.db2.gz UQXFKCXPAPADRH-DDHJBXDOSA-N 1 0 213.321 0.850 10 0 BCAERO C[C@@H]1C[N@H+](C[C@@H]2CCC[C@@H](O)C2)C[C@@H]1O ZINC000387900684 487983508 /nfs/dbraw/zinc/98/35/08/487983508.db2.gz UQXFKCXPAPADRH-KKOKHZNYSA-N 1 0 213.321 0.850 10 0 BCAERO COC[C@H](C)NC(=O)[C@@]1(C)CCC[NH2+]1 ZINC000070618507 487984754 /nfs/dbraw/zinc/98/47/54/487984754.db2.gz OTAAQBDVJGSNEX-WCBMZHEXSA-N 1 0 200.282 0.280 10 0 BCAERO CC1(NC(=O)[C@H]2CC[C@H]([NH3+])C2)CCOCC1 ZINC000229902858 487986026 /nfs/dbraw/zinc/98/60/26/487986026.db2.gz MKABNZSMFODJGG-UWVGGRQHSA-N 1 0 226.320 0.799 10 0 BCAERO CC(C)[NH2+]CC(=O)N[C@@H]1CCO[C@H]1C ZINC000134551347 487986699 /nfs/dbraw/zinc/98/66/99/487986699.db2.gz GHVDXURZCRKZHB-DTWKUNHWSA-N 1 0 200.282 0.278 10 0 BCAERO C[C@H]1OCC[C@H]1NC(=O)CC(C)(C)[NH3+] ZINC000134552636 487989583 /nfs/dbraw/zinc/98/95/83/487989583.db2.gz JDCPGLSOBJJMIW-HTQZYQBOSA-N 1 0 200.282 0.407 10 0 BCAERO C[C@@H]1OCC[C@H]1NC(=O)C1CCC([NH3+])CC1 ZINC000134556133 487990263 /nfs/dbraw/zinc/99/02/63/487990263.db2.gz WDWDVWODMKZFLM-IDWGSYCQSA-N 1 0 226.320 0.798 10 0 BCAERO CC(C)OCCNC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000159126508 487994198 /nfs/dbraw/zinc/99/41/98/487994198.db2.gz LJSGGCCFPWKBLY-NXEZZACHSA-N 1 0 214.309 0.655 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)N(C)[C@@H]1CCOC1 ZINC000134689481 487994617 /nfs/dbraw/zinc/99/46/17/487994617.db2.gz NDHAXZVMGHJBKT-NXEZZACHSA-N 1 0 214.309 0.607 10 0 BCAERO COC[C@H](C)[NH2+]Cc1cc(=O)c(OC)co1 ZINC000309633922 487996593 /nfs/dbraw/zinc/99/65/93/487996593.db2.gz ISKOJLSPJKQTSJ-QMMMGPOBSA-N 1 0 227.260 0.773 10 0 BCAERO CN1C[C@@H](C[NH2+]CC[C@H]2CCOC2)CC1=O ZINC000668616238 488009652 /nfs/dbraw/zinc/00/96/52/488009652.db2.gz KCKUGQJJXXWOBL-WDEREUQCSA-N 1 0 226.320 0.481 10 0 BCAERO O=C(N1CCCCC1)[C@]1(O)CCC[NH2+]C1 ZINC000212445164 488020600 /nfs/dbraw/zinc/02/06/00/488020600.db2.gz RDGZTTDSBXQVFX-NSHDSACASA-N 1 0 212.293 0.113 10 0 BCAERO COC(=O)[C@H]([NH3+])[C@@H]1CCC[C@@H](OC)C1 ZINC000216398424 488020702 /nfs/dbraw/zinc/02/07/02/488020702.db2.gz CDLZCXGMABRRCJ-IWSPIJDZSA-N 1 0 201.266 0.692 10 0 BCAERO C[C@@H]([NH2+]C[C@@H](O)CN1CCCC1=O)C(C)(C)C ZINC000178866061 488022832 /nfs/dbraw/zinc/02/28/32/488022832.db2.gz SZJCMWYSXVOUBA-GHMZBOCLSA-N 1 0 242.363 0.994 10 0 BCAERO Cc1cc(NC[C@@H]2COCC[NH2+]2)nc(C)n1 ZINC000235904349 488029314 /nfs/dbraw/zinc/02/93/14/488029314.db2.gz XSKAGHSNJRPVOY-SNVBAGLBSA-N 1 0 222.292 0.494 10 0 BCAERO CCn1ccnc(NC[C@@H]2CCCC[NH2+]2)c1=O ZINC000061767893 488036946 /nfs/dbraw/zinc/03/69/46/488036946.db2.gz JUBQJHVZCXFZAY-JTQLQIEISA-N 1 0 236.319 0.817 10 0 BCAERO O=C(CC[NH2+]C1CC1)NC[C@@H]1CCC[C@@H]1O ZINC000084238257 488039414 /nfs/dbraw/zinc/03/94/14/488039414.db2.gz QIKZSKHPWYFEQD-ONGXEEELSA-N 1 0 226.320 0.406 10 0 BCAERO O=C(C[C@@H]1C[NH2+]CCO1)NCC[C@H]1CCCO1 ZINC000091309713 488042138 /nfs/dbraw/zinc/04/21/38/488042138.db2.gz XDRNYTFUSDKLLN-GHMZBOCLSA-N 1 0 242.319 0.050 10 0 BCAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)Nc1cc[nH]n1 ZINC000084310291 488043864 /nfs/dbraw/zinc/04/38/64/488043864.db2.gz KXUIQRFFBBUQFI-HTQZYQBOSA-N 1 0 208.265 0.723 10 0 BCAERO C[C@H](NC(=O)COC1(C)C[NH2+]C1)C1CC1 ZINC000165826203 488044404 /nfs/dbraw/zinc/04/44/04/488044404.db2.gz LVAFUFXVZNWUNM-QMMMGPOBSA-N 1 0 212.293 0.280 10 0 BCAERO [NH3+]C[C@H]1CCC[C@@H]1C(=O)Nc1cc[nH]n1 ZINC000084310297 488044995 /nfs/dbraw/zinc/04/49/95/488044995.db2.gz KXUIQRFFBBUQFI-SFYZADRCSA-N 1 0 208.265 0.723 10 0 BCAERO [NH3+]CCN(Cc1ccccc1)C(=O)c1nc[nH]n1 ZINC000236179640 488049816 /nfs/dbraw/zinc/04/98/16/488049816.db2.gz XXFSSVWAKITUHI-UHFFFAOYSA-N 1 0 245.286 0.406 10 0 BCAERO CC(C)COC[C@H](O)C[NH2+]CC1CC(O)C1 ZINC000084448832 488053039 /nfs/dbraw/zinc/05/30/39/488053039.db2.gz GVAXYEHQDCSKJT-HTAVTVPLSA-N 1 0 231.336 0.380 10 0 BCAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)NCCCCO ZINC000236229994 488053696 /nfs/dbraw/zinc/05/36/96/488053696.db2.gz AXWOXDRVRTVTQR-NXEZZACHSA-N 1 0 214.309 0.250 10 0 BCAERO CN1CCO[C@@H](C[NH2+][C@H]2CCOC(C)(C)C2)C1 ZINC000091666999 488058118 /nfs/dbraw/zinc/05/81/18/488058118.db2.gz FSUKAIHVAVPAIG-RYUDHWBXSA-N 1 0 242.363 0.864 10 0 BCAERO CO[C@@]1(CO)CCC[N@H+](CC(C)(C)O)C1 ZINC000401784677 488066496 /nfs/dbraw/zinc/06/64/96/488066496.db2.gz SIKXZAZMARMKOA-NSHDSACASA-N 1 0 217.309 0.231 10 0 BCAERO CO[C@]1(CO)CCC[N@H+](CC(C)(C)O)C1 ZINC000401784676 488066560 /nfs/dbraw/zinc/06/65/60/488066560.db2.gz SIKXZAZMARMKOA-LLVKDONJSA-N 1 0 217.309 0.231 10 0 BCAERO CO[C@@]1(CO)CCC[N@@H+]([C@@H]2CCC[C@H]2O)C1 ZINC000401950538 488074440 /nfs/dbraw/zinc/07/44/40/488074440.db2.gz LVIONNBDRIFTJH-UTUOFQBUSA-N 1 0 229.320 0.373 10 0 BCAERO CC(C)[C@@H]([NH3+])CC(=O)NCCOCC1CC1 ZINC000225810292 488080509 /nfs/dbraw/zinc/08/05/09/488080509.db2.gz MQLDKUJVJVGWRH-NSHDSACASA-N 1 0 228.336 0.903 10 0 BCAERO CC(C)[C@@H]([NH3+])CC(=O)N[C@H](C)Cn1cccn1 ZINC000136317238 488095448 /nfs/dbraw/zinc/09/54/48/488095448.db2.gz CZKFEIQBHSJZFV-MNOVXSKESA-N 1 0 238.335 0.761 10 0 BCAERO CC(C)[C@@H]([NH3+])CC(=O)N[C@@H]1CCCCNC1=O ZINC000136335215 488096262 /nfs/dbraw/zinc/09/62/62/488096262.db2.gz GJRGFTBQKAOJGU-VHSXEESVSA-N 1 0 241.335 0.145 10 0 BCAERO CC(=O)N1CCN(C(=O)C[C@H]([NH3+])C(C)C)CC1 ZINC000136364726 488099518 /nfs/dbraw/zinc/09/95/18/488099518.db2.gz SATWJXHKEHXLJD-NSHDSACASA-N 1 0 241.335 0.051 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)N(C)Cc1cnn(C)c1 ZINC000136377653 488100718 /nfs/dbraw/zinc/10/07/18/488100718.db2.gz QYLZYJTWZKLBBU-LLVKDONJSA-N 1 0 238.335 0.752 10 0 BCAERO COC[C@@H](C)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000237156561 488106470 /nfs/dbraw/zinc/10/64/70/488106470.db2.gz BXVNTLSHCKWHKJ-ZJUUUORDSA-N 1 0 214.309 0.527 10 0 BCAERO C[C@@H](NC(=O)[C@@H]1CCC[C@@H]1[NH3+])[C@H]1CCCO1 ZINC000084856334 488108076 /nfs/dbraw/zinc/10/80/76/488108076.db2.gz VVDNHWRNEGMZOV-CHWFTXMASA-N 1 0 226.320 0.798 10 0 BCAERO CC[C@@H]1C[C@H]([NH2+]C[C@@H]2CN(C)CCO2)CO1 ZINC000657348594 488115567 /nfs/dbraw/zinc/11/55/67/488115567.db2.gz AMONRLHMBKCBOD-QJPTWQEYSA-N 1 0 228.336 0.474 10 0 BCAERO C[C@H]1CN(C(=O)[C@H]2CCC[NH2+]2)C[C@H](C)O1 ZINC000157513499 488120815 /nfs/dbraw/zinc/12/08/15/488120815.db2.gz VWRIBYLJTUWMQK-LPEHRKFASA-N 1 0 212.293 0.374 10 0 BCAERO CN(Cc1cn[nH]c1)C(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000085013485 488122490 /nfs/dbraw/zinc/12/24/90/488122490.db2.gz FDOBZAQSWZLMQK-UWVGGRQHSA-N 1 0 222.292 0.496 10 0 BCAERO [NH3+][C@@H]1CC[C@H](C(=O)NCc2c[nH]cn2)C1 ZINC000085014125 488122572 /nfs/dbraw/zinc/12/25/72/488122572.db2.gz UHEHQGIURSJMTB-JGVFFNPUSA-N 1 0 208.265 0.153 10 0 BCAERO COC[C@H](C)C(=O)NC1CCC([NH3+])CC1 ZINC000237231909 488124362 /nfs/dbraw/zinc/12/43/62/488124362.db2.gz FMUWJBPGGAKMJU-IDKOKCKLSA-N 1 0 214.309 0.655 10 0 BCAERO CCOc1cncc(NC[C@H]2COCC[NH2+]2)n1 ZINC000233797294 488128101 /nfs/dbraw/zinc/12/81/01/488128101.db2.gz NUTSZHAJVZPELK-VIFPVBQESA-N 1 0 238.291 0.276 10 0 BCAERO CCC(CC)[C@@H](O)CNC(=O)[C@@H](C)[NH2+]C ZINC000230625060 488129683 /nfs/dbraw/zinc/12/96/83/488129683.db2.gz CHKHTDALCNZWEE-SCZZXKLOSA-N 1 0 216.325 0.508 10 0 BCAERO CN(C[C@H]1CCCO1)C(=O)c1ccc(C[NH3+])o1 ZINC000094570639 487543612 /nfs/dbraw/zinc/54/36/12/487543612.db2.gz NLFTVZAVAZWFIS-SNVBAGLBSA-N 1 0 238.287 0.989 10 0 BCAERO [NH3+]Cc1ccc(C(=O)NC[C@@H]2CCC[C@H]2O)o1 ZINC000094572913 487543745 /nfs/dbraw/zinc/54/37/45/487543745.db2.gz PKXVRTFCRPNESL-WCBMZHEXSA-N 1 0 238.287 0.629 10 0 BCAERO CCn1ccc(NC(=O)[C@H]2CC[NH2+]C2)n1 ZINC000300917889 487550310 /nfs/dbraw/zinc/55/03/10/487550310.db2.gz SZSKBFWRMMRUGN-QMMMGPOBSA-N 1 0 208.265 0.451 10 0 BCAERO C[NH2+][C@H](C)C(=O)N[C@@H]1CCC[C@@H](O)C1 ZINC000227152739 487555659 /nfs/dbraw/zinc/55/56/59/487555659.db2.gz AFUBVCXAZXQQMS-IWSPIJDZSA-N 1 0 200.282 0.014 10 0 BCAERO CN1CCO[C@H](C[NH2+][C@H]2CO[C@H](C3CC3)C2)C1 ZINC000667854415 488139827 /nfs/dbraw/zinc/13/98/27/488139827.db2.gz BPYHOCPIFWQQNP-UPJWGTAASA-N 1 0 240.347 0.474 10 0 BCAERO C[C@]1(C(=O)NC[C@H]2CCCC[C@@H]2O)CCC[NH2+]1 ZINC000085988939 487471011 /nfs/dbraw/zinc/47/10/11/487471011.db2.gz CXSQYDHKNWZAHK-NTZNESFSSA-N 1 0 240.347 0.796 10 0 BCAERO C[C@H](O)CC[NH2+]C[C@@H](O)COCc1ccco1 ZINC000085989277 487471034 /nfs/dbraw/zinc/47/10/34/487471034.db2.gz WXNTTXSFYAJCAQ-WDEREUQCSA-N 1 0 243.303 0.518 10 0 BCAERO O=C(CC[NH2+]C1CC1)NC[C@H]1CCCC[C@H]1O ZINC000085988221 487471066 /nfs/dbraw/zinc/47/10/66/487471066.db2.gz OSHWBDAGJQUBCM-ZYHUDNBSSA-N 1 0 240.347 0.796 10 0 BCAERO C[NH2+][C@H](C)C(=O)N[C@@H](C)c1ncc(C)o1 ZINC000231742841 487472308 /nfs/dbraw/zinc/47/23/08/487472308.db2.gz VRQBMRHSAJLSEE-SFYZADRCSA-N 1 0 211.265 0.768 10 0 BCAERO Cc1cnc([C@H](C)NC(=O)C[C@@H](C)[NH3+])o1 ZINC000231744115 487474366 /nfs/dbraw/zinc/47/43/66/487474366.db2.gz XRSQNRCEQQDLSX-SVRRBLITSA-N 1 0 211.265 0.898 10 0 BCAERO CC(C)[C@@H]([NH3+])CC(=O)NCc1ccno1 ZINC000231892475 487487731 /nfs/dbraw/zinc/48/77/31/487487731.db2.gz LLZHNDPIXOCZNP-VIFPVBQESA-N 1 0 211.265 0.664 10 0 BCAERO CC[C@H](C)[C@@H]([NH3+])C(=O)NCc1ccno1 ZINC000231892237 487488337 /nfs/dbraw/zinc/48/83/37/487488337.db2.gz OBBXRIWSDMYNHR-IONNQARKSA-N 1 0 211.265 0.664 10 0 BCAERO COC[C@H](C)NC(=O)[C@@H]1CC[NH2+][C@H]1C ZINC000086270549 487494271 /nfs/dbraw/zinc/49/42/71/487494271.db2.gz LGNAXUZLXVTXGE-XHNCKOQMSA-N 1 0 200.282 0.136 10 0 BCAERO C[C@H](CN(C)[C@H]1C[NH2+]C[C@@H]1O)C(C)(C)C ZINC000399729060 487496778 /nfs/dbraw/zinc/49/67/78/487496778.db2.gz LFYOCVKVDFUTGZ-VWYCJHECSA-N 1 0 214.353 0.933 10 0 BCAERO C[C@@H]1CCN(c2ccc(C(N)=O)nn2)[C@H](C[NH3+])C1 ZINC000300090880 487499238 /nfs/dbraw/zinc/49/92/38/487499238.db2.gz OVQOLMNSQQVKLU-BDAKNGLRSA-N 1 0 249.318 0.139 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)N[C@H]2CCC[NH2+]CC2)O1 ZINC000300234438 487505944 /nfs/dbraw/zinc/50/59/44/487505944.db2.gz OAUAKQGPOGZZHN-OUAUKWLOSA-N 1 0 226.320 0.812 10 0 BCAERO COC[C@@H](CN1CC[N@@H+]2CCC[C@H]2C1)OC ZINC000300374629 487511825 /nfs/dbraw/zinc/51/18/25/487511825.db2.gz IESVJFRWGBYOBM-NWDGAFQWSA-N 1 0 228.336 0.428 10 0 BCAERO CCC[C@@H](O)C[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000062982439 487508196 /nfs/dbraw/zinc/50/81/96/487508196.db2.gz XQMHXYYFTHKWEA-QWHCGFSZSA-N 1 0 242.363 0.554 10 0 BCAERO Cc1c(C[NH2+]C[C@@H]2CCC(=O)N2)cnn1C ZINC000086552126 487518939 /nfs/dbraw/zinc/51/89/39/487518939.db2.gz LETOGQQSASQNLF-JTQLQIEISA-N 1 0 222.292 0.097 10 0 BCAERO COCC1(C[NH2+][C@@H]2CCCNC2=O)CCC1 ZINC000669663019 487520123 /nfs/dbraw/zinc/52/01/23/487520123.db2.gz HUHWHNBUPWBLIG-SNVBAGLBSA-N 1 0 226.320 0.671 10 0 BCAERO CCNC(=O)C[NH2+][C@H]1CO[C@@H](C2CC2)C1 ZINC000667927134 488161122 /nfs/dbraw/zinc/16/11/22/488161122.db2.gz MKOUUWCBPGHNHS-NXEZZACHSA-N 1 0 212.293 0.280 10 0 BCAERO CN(C)C(=O)C[NH2+][C@@H]1CO[C@@H](C2CC2)C1 ZINC000667931523 488161336 /nfs/dbraw/zinc/16/13/36/488161336.db2.gz HBGNBUCTINAILI-VHSXEESVSA-N 1 0 212.293 0.232 10 0 BCAERO O=C(CC[C@@H]1CC[NH2+]C1)N[C@@H]1CCC[C@@H](O)C1 ZINC000134487077 488167627 /nfs/dbraw/zinc/16/76/27/488167627.db2.gz FCQRPYHGJQQSKV-IJLUTSLNSA-N 1 0 240.347 0.796 10 0 BCAERO C[C@H]1OCC[C@@H]1NC(=O)COC1CC[NH2+]CC1 ZINC000149755701 487569806 /nfs/dbraw/zinc/56/98/06/487569806.db2.gz YBVBDLBKFUGVPU-KOLCDFICSA-N 1 0 242.319 0.049 10 0 BCAERO C[C@H]1SCC[C@@H]1NC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000378900172 488110069 /nfs/dbraw/zinc/11/00/69/488110069.db2.gz GQNPYMFSNULPOV-KYXWUPHJSA-N 1 0 228.361 0.852 10 0 BCAERO COCC(C)(C)C[NH2+][C@H]1CCCN(CCO)C1 ZINC000683144893 488115726 /nfs/dbraw/zinc/11/57/26/488115726.db2.gz ISBZMAZQGNIPQD-LBPRGKRZSA-N 1 0 244.379 0.705 10 0 BCAERO Cc1cnn(CCNC(=O)CC(C)(C)[NH3+])c1 ZINC000235802778 488140035 /nfs/dbraw/zinc/14/00/35/488140035.db2.gz PAEAYUPUMYFGEF-UHFFFAOYSA-N 1 0 224.308 0.435 10 0 BCAERO C[C@H]([NH2+]CC(C)(C)NS(C)(=O)=O)[C@H]1C[C@H]1C ZINC000322226549 488176177 /nfs/dbraw/zinc/17/61/77/488176177.db2.gz YPUCOLCPQPJHSD-UTLUCORTSA-N 1 0 248.392 0.948 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)N[C@H]1CCCCNC1=O ZINC000136335253 488178725 /nfs/dbraw/zinc/17/87/25/488178725.db2.gz GJRGFTBQKAOJGU-ZJUUUORDSA-N 1 0 241.335 0.145 10 0 BCAERO CC(C)[C@@H](NC(=O)C[C@H]1CCC[NH2+]C1)C(N)=O ZINC000231045223 488180240 /nfs/dbraw/zinc/18/02/40/488180240.db2.gz YPXJKYMRWHAVRW-MWLCHTKSSA-N 1 0 241.335 0.002 10 0 BCAERO CC[C@@H]([NH3+])C(=O)N1CCC[C@H]1c1cnn(C)c1 ZINC000167628380 488181355 /nfs/dbraw/zinc/18/13/55/488181355.db2.gz DUSZQFFKSPHAPE-MNOVXSKESA-N 1 0 236.319 0.821 10 0 BCAERO CC(C)[C@H](CCO)[NH2+][C@@H]1CCC[C@H]1O ZINC000231078156 488181467 /nfs/dbraw/zinc/18/14/67/488181467.db2.gz YYQLAUSOVMPFAQ-HBNTYKKESA-N 1 0 201.310 0.896 10 0 BCAERO C[NH2+][C@H](C)C(=O)Nc1ccc2c(c1)NC(=O)CO2 ZINC000054076138 488206542 /nfs/dbraw/zinc/20/65/42/488206542.db2.gz JZCRVHLYETXWFF-SSDOTTSWSA-N 1 0 249.270 0.564 10 0 BCAERO [NH3+]CC1(C(=O)N[C@@H]2CC=CCC2)CCOCC1 ZINC000138196732 488208384 /nfs/dbraw/zinc/20/83/84/488208384.db2.gz ISCGLSMMCABWLB-LLVKDONJSA-N 1 0 238.331 0.967 10 0 BCAERO NC(=O)CC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000042438581 488276764 /nfs/dbraw/zinc/27/67/64/488276764.db2.gz LBBOLACZCOHVCW-GHMZBOCLSA-N 1 0 226.320 0.487 10 0 BCAERO Cn1cc(C[NH2+][C@H]2CCC[C@H](O)C2)cn1 ZINC000037163917 490146093 /nfs/dbraw/zinc/14/60/93/490146093.db2.gz STZMQWHADUWUSM-QWRGUYRKSA-N 1 0 209.293 0.813 10 0 BCAERO CCN1CCO[C@@H](C[NH2+]CC(C)C)C1 ZINC000078641795 490204515 /nfs/dbraw/zinc/20/45/15/490204515.db2.gz MYZKSFOPMJXIDG-NSHDSACASA-N 1 0 200.326 0.953 10 0 BCAERO CO[C@@H]1C[C@@H](CO)[N@H+](Cc2cc(C)no2)C1 ZINC000284679455 490301745 /nfs/dbraw/zinc/30/17/45/490301745.db2.gz RMLUHOFLVPADRE-VHSXEESVSA-N 1 0 226.276 0.565 10 0 BCAERO Cc1nn(C)cc1C[NH2+][C@H]1CCO[C@H]1C ZINC000126288097 490487540 /nfs/dbraw/zinc/48/75/40/490487540.db2.gz NCDDXRSLFJMMNI-ONGXEEELSA-N 1 0 209.293 0.996 10 0 BCAERO CCN1CCO[C@@H](C[NH2+]CC2(C)COC2)C1 ZINC000087197657 491066785 /nfs/dbraw/zinc/06/67/85/491066785.db2.gz VUFRHLQGQHBOAZ-NSHDSACASA-N 1 0 228.336 0.333 10 0 BCAERO CCCCOC[C@H](O)C[N@H+](C)C(C)(C)CO ZINC000227907957 491066922 /nfs/dbraw/zinc/06/69/22/491066922.db2.gz VBODVQZPYWEMFM-LLVKDONJSA-N 1 0 233.352 0.867 10 0 BCAERO CC[C@H](COC)[NH2+]C[C@@H]1CN(CC)CCO1 ZINC000086004759 491056193 /nfs/dbraw/zinc/05/61/93/491056193.db2.gz VFAMDFWIRBBZQE-VXGBXAGGSA-N 1 0 230.352 0.722 10 0 BCAERO CCN1C(=O)C[C@H](C[NH3+])[C@@H]1c1cccnc1 ZINC000328579701 491068875 /nfs/dbraw/zinc/06/88/75/491068875.db2.gz XAKZNHAVAZJJJB-PWSUYJOCSA-N 1 0 219.288 0.950 10 0 BCAERO C[C@]1(C(=O)N2CC[C@@H]3COC[C@@H]3C2)CCC[NH2+]1 ZINC000662920280 491118197 /nfs/dbraw/zinc/11/81/97/491118197.db2.gz UQDWMTGJWIANND-NTZNESFSSA-N 1 0 238.331 0.623 10 0 BCAERO OCCN1CCC[C@@H]([NH2+]Cc2cc[nH]c2)C1 ZINC000309630332 491153223 /nfs/dbraw/zinc/15/32/23/491153223.db2.gz KFAMQFSINKHJGX-GFCCVEGCSA-N 1 0 223.320 0.561 10 0 BCAERO C1COC[C@]2(C1)[NH2+]CC1(CCOCC1)CO2 ZINC000757138807 582518296 /nfs/dbraw/zinc/51/82/96/582518296.db2.gz DIUCWLCEGLQFNK-GFCCVEGCSA-N 1 0 227.304 0.910 10 0 BCAERO CO[C@H](C)c1nsc(N2CC[C@@H]2C[NH3+])n1 ZINC000757139375 582519433 /nfs/dbraw/zinc/51/94/33/582519433.db2.gz BDOGWGIPDVRXPQ-RNFRBKRXSA-N 1 0 228.321 0.783 10 0 BCAERO COc1ncccc1CN1CC[C@H]1C[NH3+] ZINC000757145586 582528508 /nfs/dbraw/zinc/52/85/08/582528508.db2.gz NYPAEZQQEMPXJY-JTQLQIEISA-N 1 0 207.277 0.623 10 0 BCAERO Cc1cc(C)nc(CN2CC[C@@H]2C[NH3+])n1 ZINC000757145520 582527984 /nfs/dbraw/zinc/52/79/84/582527984.db2.gz LQODXPKHJVGPJP-SNVBAGLBSA-N 1 0 206.293 0.626 10 0 BCAERO COc1cccc(CN2CC[C@H]2C[NH3+])n1 ZINC000757146169 582529857 /nfs/dbraw/zinc/52/98/57/582529857.db2.gz PLEYMXZUJMADKZ-JTQLQIEISA-N 1 0 207.277 0.623 10 0 BCAERO NC(=O)[C@@H]1CCN1[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000757146184 582529860 /nfs/dbraw/zinc/52/98/60/582529860.db2.gz NURXIKVERFHBSR-AEJSXWLSSA-N 1 0 211.309 0.206 10 0 BCAERO [NH3+][C@H](CS(=O)(=O)N1CCCC1)C1CCCC1 ZINC000757150686 582535070 /nfs/dbraw/zinc/53/50/70/582535070.db2.gz HJYWRPXVUAYRRX-LLVKDONJSA-N 1 0 246.376 0.930 10 0 BCAERO CCOc1cncc(N2CC[C@H]2C[NH3+])n1 ZINC000757153128 582536961 /nfs/dbraw/zinc/53/69/61/582536961.db2.gz SRULOGSNFXYKBF-QMMMGPOBSA-N 1 0 208.265 0.413 10 0 BCAERO C[C@@]([NH3+])(CC(N)=O)C1CCSCC1 ZINC000757152925 582537733 /nfs/dbraw/zinc/53/77/33/582537733.db2.gz BWWWSOLFUMIIPI-SECBINFHSA-N 1 0 202.323 0.722 10 0 BCAERO Cc1nc(C)c(N2CC[C@H]2C[NH3+])nc1C ZINC000757153539 582538603 /nfs/dbraw/zinc/53/86/03/582538603.db2.gz UGRDWMNGZLWUJF-JTQLQIEISA-N 1 0 206.293 0.939 10 0 BCAERO CC(C)(CC[N@@H+]1CC[C@H]1C(N)=O)C(N)=S ZINC000757159467 582540240 /nfs/dbraw/zinc/54/02/40/582540240.db2.gz PXVVMXWSADFMNH-ZETCQYMHSA-N 1 0 229.349 0.248 10 0 BCAERO C[C@@H]1CN2C(=[NH+]CC[C@H]2[C@@H]2CCCO2)N1 ZINC000235434851 582579964 /nfs/dbraw/zinc/57/99/64/582579964.db2.gz RPWTVCLSCHMCGE-UTLUCORTSA-N 1 0 209.293 0.587 10 0 BCAERO [NH3+]CCCc1nc2n(n1)[C@@H]1CCC[C@H]1CN2 ZINC000236212782 582641376 /nfs/dbraw/zinc/64/13/76/582641376.db2.gz ZBMQLOSJJRTDFW-DTWKUNHWSA-N 1 0 221.308 0.936 10 0 BCAERO [NH3+]C[C@H]1CCNc2c3c(nn21)NCCC3 ZINC000236249825 582643167 /nfs/dbraw/zinc/64/31/67/582643167.db2.gz TXSUKXZKFBXVJA-SSDOTTSWSA-N 1 0 207.281 0.557 10 0 BCAERO COC(=O)NCC[NH2+]C[C@@H](O)C(C)(C)C ZINC000308256217 534121438 /nfs/dbraw/zinc/12/14/38/534121438.db2.gz JPQVFAVJLCFYCZ-MRVPVSSYSA-N 1 0 218.297 0.339 10 0 BCAERO CC[C@@](C)(O)C[N@@H+]1CCO[C@@H](COC)C1 ZINC000249334279 536003021 /nfs/dbraw/zinc/00/30/21/536003021.db2.gz HWQPAQZZIMDACA-GHMZBOCLSA-N 1 0 217.309 0.495 10 0 BCAERO COC(=O)C1[N+](=O)C(C)(C)N(C)C1(C)C ZINC000019321789 517983543 /nfs/dbraw/zinc/98/35/43/517983543.db2.gz PBWOFLXLPKOMBM-UHFFFAOYSA-N 1 0 214.265 0.571 10 0 BCAERO CC[C@@H](C)NC(=O)C[NH2+]C[C@@H]1CCCOC1 ZINC000038045938 522166318 /nfs/dbraw/zinc/16/63/18/522166318.db2.gz FKPGKCBCRKOMGU-MNOVXSKESA-N 1 0 228.336 0.917 10 0 BCAERO CC[C@H](C)[NH2+]CC(=O)NC[C@@H]1CCCOC1 ZINC000038046189 524003523 /nfs/dbraw/zinc/00/35/23/524003523.db2.gz OCZZCDZYTREYGB-QWRGUYRKSA-N 1 0 228.336 0.917 10 0 BCAERO C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CS(=O)(=O)C[C@H]1O ZINC000252215266 524143184 /nfs/dbraw/zinc/14/31/84/524143184.db2.gz XMKDWHLIEMVMCH-LMLFDSFASA-N 1 0 247.360 0.313 10 0 BCAERO C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCS(=O)(=O)C1 ZINC000238853100 524336807 /nfs/dbraw/zinc/33/68/07/524336807.db2.gz IKFBCOUHOSRGOR-UTLUCORTSA-N 1 0 217.334 0.952 10 0 BCAERO CC[NH2+][C@](C)(CCn1ccnc1)C(N)=O ZINC000045432347 582878822 /nfs/dbraw/zinc/87/88/22/582878822.db2.gz XCRGHADFGANBFW-SNVBAGLBSA-N 1 0 210.281 0.127 10 0 BCAERO CC[NH2+][C@@](C)(CCn1ccnc1)C(N)=O ZINC000045432344 582879286 /nfs/dbraw/zinc/87/92/86/582879286.db2.gz XCRGHADFGANBFW-JTQLQIEISA-N 1 0 210.281 0.127 10 0 BCAERO C[NH2+][C@H](C)CNS(=O)(=O)N1CCCC[C@H]1C ZINC000261532723 536402714 /nfs/dbraw/zinc/40/27/14/536402714.db2.gz DGTOKPZBHHZAFB-NXEZZACHSA-N 1 0 249.380 0.303 10 0 BCAERO C[C@@H]1C[C@@](C(=O)[O-])([NH+](C)C)C[C@H](C)[N@H+]1C ZINC000242543385 525353898 /nfs/dbraw/zinc/35/38/98/525353898.db2.gz JZSPWNWCWXCISM-DOFRTFSJSA-N 1 0 214.309 0.874 10 0 BCAERO COC(=O)C(C)(C)CNC(=O)[C@@H]1CCC[C@H]1[NH3+] ZINC000158964259 536425639 /nfs/dbraw/zinc/42/56/39/536425639.db2.gz FNLAIOUXVCKKJA-RKDXNWHRSA-N 1 0 242.319 0.429 10 0 BCAERO CC(C)Cn1ccnc1CNC(=O)C[C@@H](C)[NH3+] ZINC000261896255 534912288 /nfs/dbraw/zinc/91/22/88/534912288.db2.gz UNWQMMBCQUSSCH-SNVBAGLBSA-N 1 0 238.335 0.893 10 0 BCAERO CN(C[C@@H]1CCCOC1)C(=O)[C@H]1CC[NH2+]C1 ZINC000082545389 536428194 /nfs/dbraw/zinc/42/81/94/536428194.db2.gz ABGXYRVPPMCGTE-QWRGUYRKSA-N 1 0 226.320 0.481 10 0 BCAERO COC(=O)CN1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261527664 536472233 /nfs/dbraw/zinc/47/22/33/536472233.db2.gz FKGFNWRJSNNAGL-MRVPVSSYSA-N 1 0 200.282 0.219 10 0 BCAERO C[NH2+]C[C@H]1CCN(c2nc(C)cc(OC)n2)C1 ZINC000164175751 536468723 /nfs/dbraw/zinc/46/87/23/536468723.db2.gz UWMVCSHZXFLTBB-SNVBAGLBSA-N 1 0 236.319 0.839 10 0 BCAERO COC(=O)CN1C[C@@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000227384461 536472902 /nfs/dbraw/zinc/47/29/02/536472902.db2.gz ZQZLPVNGZRCIAX-QWRGUYRKSA-N 1 0 226.320 0.718 10 0 BCAERO [NH3+]CCOCCNC(=O)CCc1ccccc1 ZINC000074533442 527189730 /nfs/dbraw/zinc/18/97/30/527189730.db2.gz DFXCKFOQFYHVSQ-UHFFFAOYSA-N 1 0 236.315 0.711 10 0 BCAERO [NH3+][C@@H]1CCN(c2nc3cc(F)ccc3c(=O)[nH]2)C1 ZINC000229015959 527364629 /nfs/dbraw/zinc/36/46/29/527364629.db2.gz KWXMVSNDKAEVGU-MRVPVSSYSA-N 1 0 248.261 0.600 10 0 BCAERO CC(C)(O)[C@H]1CCC[N@@H+]1C[C@@H]1CNC(=O)O1 ZINC000496479198 527364731 /nfs/dbraw/zinc/36/47/31/527364731.db2.gz HAUNULJMQRGMFU-DTWKUNHWSA-N 1 0 228.292 0.330 10 0 BCAERO CCC1(O)CC[NH+](C[C@@H]2CNC(=O)O2)CC1 ZINC000496374984 527808842 /nfs/dbraw/zinc/80/88/42/527808842.db2.gz MQFGBMZJSIDANW-VIFPVBQESA-N 1 0 228.292 0.332 10 0 BCAERO CC(C)CNC(=O)C[N@@H+]1C[C@H](C)C[C@@H](O)C1 ZINC000401738366 528033941 /nfs/dbraw/zinc/03/39/41/528033941.db2.gz HYQVZPFKNMWCJZ-GHMZBOCLSA-N 1 0 228.336 0.461 10 0 BCAERO CCCNC(=O)C[N@@H+]1C[C@@H](C)C[C@H](O)C1 ZINC000401891334 528392168 /nfs/dbraw/zinc/39/21/68/528392168.db2.gz HKLVTUIZYQJMTF-UWVGGRQHSA-N 1 0 214.309 0.215 10 0 BCAERO CCC(C)(C)NC(=O)C[N@@H+]1C[C@H](C)C[C@@H](O)C1 ZINC000401659572 528548368 /nfs/dbraw/zinc/54/83/68/528548368.db2.gz OSPBXXNBRNUKCL-GHMZBOCLSA-N 1 0 242.363 0.994 10 0 BCAERO CC(C)[C@H](C)NC(=O)C[N@@H+]1C[C@H](C)C[C@@H](O)C1 ZINC000401639838 528964921 /nfs/dbraw/zinc/96/49/21/528964921.db2.gz DTXZNTBFHREYPK-GRYCIOLGSA-N 1 0 242.363 0.850 10 0 BCAERO CC(C)NC(=O)CC[N@@H+]1C[C@H](C)C[C@@H](O)C1 ZINC000401751193 529121696 /nfs/dbraw/zinc/12/16/96/529121696.db2.gz NSYPDFJRFNHNND-GHMZBOCLSA-N 1 0 228.336 0.604 10 0 BCAERO CC1(C)C[N@H+](C[C@@H]2CNC(=O)O2)CC[C@H]1O ZINC000303797084 529121790 /nfs/dbraw/zinc/12/17/90/529121790.db2.gz HFULKBUOZLKKIH-DTWKUNHWSA-N 1 0 228.292 0.188 10 0 BCAERO CC[C@H](C)NC(=O)[C@H](C)[N@@H+]1C[C@H](C)C[C@@H](O)C1 ZINC000401672221 529171643 /nfs/dbraw/zinc/17/16/43/529171643.db2.gz VTILRCKNDZWWEV-NOOOWODRSA-N 1 0 242.363 0.992 10 0 BCAERO CC(C)(C)[C@@H](O)CNC(=O)C1([NH3+])CC1 ZINC000261530978 535061125 /nfs/dbraw/zinc/06/11/25/535061125.db2.gz DTNLMAILQBMAGX-ZETCQYMHSA-N 1 0 200.282 0.001 10 0 BCAERO CC(C)S(=O)(=O)CCN1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000261533047 535094839 /nfs/dbraw/zinc/09/48/39/535094839.db2.gz GIXQTGFVOMJVBB-GHMZBOCLSA-N 1 0 248.392 0.479 10 0 BCAERO CC1(CNC(=O)[C@H]2C[C@H](F)C[NH2+]2)CC1 ZINC000262182803 535147824 /nfs/dbraw/zinc/14/78/24/535147824.db2.gz WYULTPMFHPAQOR-JGVFFNPUSA-N 1 0 200.257 0.603 10 0 BCAERO CCC1(C(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)CCC1 ZINC000262366922 535244951 /nfs/dbraw/zinc/24/49/51/535244951.db2.gz VSWAIXDYCCLFDM-UWVGGRQHSA-N 1 0 226.320 0.263 10 0 BCAERO CC1(C)CN(C(=O)[C@@H]2CC[C@@H]([NH3+])C2)CCO1 ZINC000085010763 535343725 /nfs/dbraw/zinc/34/37/25/535343725.db2.gz UBZAOTHRACUZLM-NXEZZACHSA-N 1 0 226.320 0.751 10 0 BCAERO CCO[C@@H]1C[C@@H]1C(=O)N1CC[NH2+][C@H](C)[C@H]1C ZINC000262735324 535425998 /nfs/dbraw/zinc/42/59/98/535425998.db2.gz CJPFGPZRPVPLKK-CHWFTXMASA-N 1 0 226.320 0.620 10 0 BCAERO CCOC(=O)[C@@H](C)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000252321817 535428859 /nfs/dbraw/zinc/42/88/59/535428859.db2.gz ZBLQBNLWSUCDAF-MNOVXSKESA-N 1 0 244.335 0.200 10 0 BCAERO CCO[C@@H]1C[C@@H]1C(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000262718481 535432197 /nfs/dbraw/zinc/43/21/97/535432197.db2.gz FDDNHRUKMBYOAO-LMLFDSFASA-N 1 0 226.320 0.526 10 0 BCAERO CCOCCC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000170856268 535451050 /nfs/dbraw/zinc/45/10/50/535451050.db2.gz UGGOFWVASOYHSQ-LLVKDONJSA-N 1 0 226.320 0.720 10 0 BCAERO CCC[C@@H]1C[C@@H]1NC(=O)C[C@H](C[NH3+])OC ZINC000261536790 535456504 /nfs/dbraw/zinc/45/65/04/535456504.db2.gz SYURKTAFODFQCO-BBBLOLIVSA-N 1 0 214.309 0.655 10 0 BCAERO CCC[C@@H]1C[C@@H]1NC(=O)C[C@@H](C[NH3+])OC ZINC000219238038 535456770 /nfs/dbraw/zinc/45/67/70/535456770.db2.gz SYURKTAFODFQCO-UTLUCORTSA-N 1 0 214.309 0.655 10 0 BCAERO CCOCCC(=O)NC[C@@H]1CC[NH2+]C1 ZINC000087654981 535456964 /nfs/dbraw/zinc/45/69/64/535456964.db2.gz WQAPELMTZLFSTI-SECBINFHSA-N 1 0 200.282 0.139 10 0 BCAERO CCOCCCCNC(=O)C1C[NH2+]C1 ZINC000261538726 535503258 /nfs/dbraw/zinc/50/32/58/535503258.db2.gz ZBQKKAVVOWPXDO-UHFFFAOYSA-N 1 0 200.282 0.139 10 0 BCAERO CCCc1nc(CN2C[C@@H](C)[C@@H]([NH3+])C2)no1 ZINC000233376837 535528569 /nfs/dbraw/zinc/52/85/69/535528569.db2.gz OJWVHHVUYRUSDS-BDAKNGLRSA-N 1 0 224.308 0.801 10 0 BCAERO CC[N@@H+]1CCC[C@H]1CN(C)CCC(=O)OC ZINC000086189114 535590885 /nfs/dbraw/zinc/59/08/85/535590885.db2.gz XVQASFNKZFOMDN-NSHDSACASA-N 1 0 228.336 0.966 10 0 BCAERO CCO[C@H]1CCCN(c2nccnc2C(N)=[NH2+])C1 ZINC000054379960 535622731 /nfs/dbraw/zinc/62/27/31/535622731.db2.gz JICPQNYFRGWCMN-VIFPVBQESA-N 1 0 249.318 0.766 10 0 BCAERO CCOC(=O)[C@H](C)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261578217 535626338 /nfs/dbraw/zinc/62/63/38/535626338.db2.gz LPAYVWKEQOCDQS-VHSXEESVSA-N 1 0 228.336 0.997 10 0 BCAERO CCOC(=O)[C@H](CC)N1C[C@H](C)[C@H]([NH3+])C1 ZINC000261534193 535649271 /nfs/dbraw/zinc/64/92/71/535649271.db2.gz LVPCTZQZROGXNN-AEJSXWLSSA-N 1 0 214.309 0.607 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N[C@H]1CCCC[C@H]1C(N)=O ZINC000262463953 535680277 /nfs/dbraw/zinc/68/02/77/535680277.db2.gz LLPMBSRNJIHYHQ-UTLUCORTSA-N 1 0 241.335 0.274 10 0 BCAERO CC[C@H](NC(=O)[C@H]([NH3+])COC)C1CCOCC1 ZINC000262244020 535846012 /nfs/dbraw/zinc/84/60/12/535846012.db2.gz HZSBJBYJZGPOBZ-MNOVXSKESA-N 1 0 244.335 0.282 10 0 BCAERO CC[C@](C)(O)C[N@@H+]1CCO[C@@]2(CCOC2)C1 ZINC000249398534 535848084 /nfs/dbraw/zinc/84/80/84/535848084.db2.gz SGFDJPAJNBBSSK-RYUDHWBXSA-N 1 0 229.320 0.639 10 0 BCAERO CC[C@]1(C)C[C@@H]1C(=O)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000262343486 535930391 /nfs/dbraw/zinc/93/03/91/535930391.db2.gz TYOIIPATSLZXFR-MIZYBKAJSA-N 1 0 226.320 0.119 10 0 BCAERO CN(C(=O)C12CCC[NH+]1CCC2)C1CC(O)C1 ZINC000336016113 535962756 /nfs/dbraw/zinc/96/27/56/535962756.db2.gz NYAKFZJRPPRTHS-UHFFFAOYSA-N 1 0 238.331 0.597 10 0 BCAERO CCc1cnc(CNC[C@@H]2C[NH2+]C[C@H]2O)s1 ZINC000263267849 536050621 /nfs/dbraw/zinc/05/06/21/536050621.db2.gz RTWVUWVXGHVVHL-WCBMZHEXSA-N 1 0 241.360 0.375 10 0 BCAERO CN(C(=O)[C@@H]([NH3+])C1CCOCC1)C1CC1 ZINC000261576912 536059091 /nfs/dbraw/zinc/05/90/91/536059091.db2.gz KRDKLHAONIQAPN-JTQLQIEISA-N 1 0 212.293 0.361 10 0 BCAERO CN(C)C(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000261534262 536107346 /nfs/dbraw/zinc/10/73/46/536107346.db2.gz PCTHZPKNQMKCAG-SECBINFHSA-N 1 0 222.292 0.509 10 0 BCAERO CCc1ccc(C(=O)NC[C@@H]2C[NH2+]C[C@H]2O)cc1 ZINC000262264851 536166154 /nfs/dbraw/zinc/16/61/54/536166154.db2.gz MMJWEUQXAFLFJM-QWHCGFSZSA-N 1 0 248.326 0.559 10 0 BCAERO CNC(=O)N1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000335933957 536318716 /nfs/dbraw/zinc/31/87/16/536318716.db2.gz OOPKVLDOKBBUDT-MNOVXSKESA-N 1 0 241.335 0.247 10 0 BCAERO C[NH2+][C@@H](C)CNC(=O)c1ccnc(C2CC2)n1 ZINC000261717092 536343279 /nfs/dbraw/zinc/34/32/79/536343279.db2.gz KLDUXYCKWHACRP-QMMMGPOBSA-N 1 0 234.303 0.692 10 0 BCAERO C[NH2+][C@@H](C)CNS(=O)(=O)c1ccc(C)o1 ZINC000261552656 536343834 /nfs/dbraw/zinc/34/38/34/536343834.db2.gz RQMMGLBSJQXTHB-ZETCQYMHSA-N 1 0 232.305 0.474 10 0 BCAERO C[NH2+][C@@H](C)CNS(=O)(=O)c1cncc(F)c1 ZINC000261567781 536344223 /nfs/dbraw/zinc/34/42/23/536344223.db2.gz FCCSHZGYIUUHGN-ZETCQYMHSA-N 1 0 247.295 0.107 10 0 BCAERO C[NH2+][C@@H](C)CNS(=O)(=O)c1sccc1C ZINC000261544049 536344554 /nfs/dbraw/zinc/34/45/54/536344554.db2.gz IMJNXNFSJRQMSH-QMMMGPOBSA-N 1 0 248.373 0.943 10 0 BCAERO CN(CC[NH3+])C1CCN(c2cccnn2)CC1 ZINC000262729563 536368060 /nfs/dbraw/zinc/36/80/60/536368060.db2.gz BJBRLTJBSXIFGK-UHFFFAOYSA-N 1 0 235.335 0.336 10 0 BCAERO C[NH2+][C@H](C)CNC(=O)CCC1CCOCC1 ZINC000261648483 536390960 /nfs/dbraw/zinc/39/09/60/536390960.db2.gz DVAUPXBKDPATPG-SNVBAGLBSA-N 1 0 228.336 0.917 10 0 BCAERO C[NH2+][C@H](C)CNC(=O)CCCSC ZINC000261530449 536391649 /nfs/dbraw/zinc/39/16/49/536391649.db2.gz ZXZVKSNRYUFSDV-MRVPVSSYSA-N 1 0 204.339 0.854 10 0 BCAERO C[NH2+][C@H](C)CNC(=O)[C@@H](C)CSC ZINC000261529796 536398003 /nfs/dbraw/zinc/39/80/03/536398003.db2.gz VUMMCXUYTJJNIM-JGVFFNPUSA-N 1 0 204.339 0.710 10 0 BCAERO C[NH2+][C@H](C)CNC(=O)c1[nH]c(C)cc1C ZINC000261550064 536399792 /nfs/dbraw/zinc/39/97/92/536399792.db2.gz PGGUQIZSAKRESR-SECBINFHSA-N 1 0 209.293 0.969 10 0 BCAERO C[NH2+][C@H](C)CNC(=O)c1cnc(C)cn1 ZINC000261530803 536401857 /nfs/dbraw/zinc/40/18/57/536401857.db2.gz DDQBDAXEICNQOJ-SSDOTTSWSA-N 1 0 208.265 0.123 10 0 BCAERO C[NH2+][C@H](C)CNS(=O)(=O)c1ccc(C)s1 ZINC000261537690 536403384 /nfs/dbraw/zinc/40/33/84/536403384.db2.gz WDRUBFUCKBVTHQ-SSDOTTSWSA-N 1 0 248.373 0.943 10 0 BCAERO C[NH2+][C@H]1CCCN(c2cc(C)ncn2)C1 ZINC000053205014 536414885 /nfs/dbraw/zinc/41/48/85/536414885.db2.gz AYDDBSRFALKRMC-JTQLQIEISA-N 1 0 206.293 0.973 10 0 BCAERO C[NH2+][C@H]1CCCN(c2ccnc(C(N)=O)c2)C1 ZINC000053204697 536415422 /nfs/dbraw/zinc/41/54/22/536415422.db2.gz XQDXYZSRGPAZJD-VIFPVBQESA-N 1 0 234.303 0.369 10 0 BCAERO COCCCNC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000085009736 536581104 /nfs/dbraw/zinc/58/11/04/536581104.db2.gz ZMCUFKWRQNOASV-BDAKNGLRSA-N 1 0 200.282 0.267 10 0 BCAERO COc1cc(C)ccc1CNC(=O)C1C[NH2+]C1 ZINC000262253502 536648985 /nfs/dbraw/zinc/64/89/85/536648985.db2.gz QBSHHKIDBKNASU-UHFFFAOYSA-N 1 0 234.299 0.839 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N1CCCC[C@@H]1C ZINC000088002131 536655690 /nfs/dbraw/zinc/65/56/90/536655690.db2.gz HWYDDNJIFNTNQD-DTWKUNHWSA-N 1 0 200.282 0.361 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N1CCC[C@H](C)CC1 ZINC000088004346 536656839 /nfs/dbraw/zinc/65/68/39/536656839.db2.gz SKNNAIJZCZVXRB-VHSXEESVSA-N 1 0 214.309 0.609 10 0 BCAERO COC(=O)c1ccc(CN2CC[C@@H]([NH3+])[C@H]2C)o1 ZINC000261556177 536670484 /nfs/dbraw/zinc/67/04/84/536670484.db2.gz QMODTPBYTRCOPJ-PSASIEDQSA-N 1 0 238.287 0.988 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N[C@H]1CC[C@H](C)CC1 ZINC000253135650 536670712 /nfs/dbraw/zinc/67/07/12/536670712.db2.gz RKRRESLQYWBGNU-OPRDCNLKSA-N 1 0 214.309 0.655 10 0 BCAERO COC1(CO)CC[NH+]([C@@H]2CCOC2)CC1 ZINC000348146713 536691147 /nfs/dbraw/zinc/69/11/47/536691147.db2.gz FNBXDFRYHHPPNV-SNVBAGLBSA-N 1 0 215.293 0.249 10 0 BCAERO COc1cc(C)nc(N2CC[C@@H]3[NH2+]CC[C@H]3C2)n1 ZINC000261575493 536700111 /nfs/dbraw/zinc/70/01/11/536700111.db2.gz NDBHCNYVTKHTBL-QWRGUYRKSA-N 1 0 248.330 0.982 10 0 BCAERO COc1cc(C)nc(N2C[C@H](C[NH3+])C[C@H]2C)n1 ZINC000252789271 536701931 /nfs/dbraw/zinc/70/19/31/536701931.db2.gz XQRJXAZEYIXMLA-ZJUUUORDSA-N 1 0 236.319 0.967 10 0 BCAERO COc1cc(C)nc(N2C[C@@H](C[NH3+])C[C@@H]2C)n1 ZINC000164227355 536702221 /nfs/dbraw/zinc/70/22/21/536702221.db2.gz XQRJXAZEYIXMLA-VHSXEESVSA-N 1 0 236.319 0.967 10 0 BCAERO COCC(C)(C)NC(=O)[C@H]1CCC[NH2+]C1 ZINC000083916582 536793204 /nfs/dbraw/zinc/79/32/04/536793204.db2.gz DINVWHPZECEXNR-VIFPVBQESA-N 1 0 214.309 0.527 10 0 BCAERO COc1cc(N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)ncn1 ZINC000261563677 536831923 /nfs/dbraw/zinc/83/19/23/536831923.db2.gz XDAKGXNXPYJMDP-GUBZILKMSA-N 1 0 234.303 0.659 10 0 BCAERO CO[C@@H](C)C(=O)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000168685141 536856982 /nfs/dbraw/zinc/85/69/82/536856982.db2.gz MHHYIFUMLJUBDO-VHSXEESVSA-N 1 0 214.309 0.431 10 0 BCAERO COC[C@H]([NH3+])C(=O)NCCc1ccsc1 ZINC000088003801 536864345 /nfs/dbraw/zinc/86/43/45/536864345.db2.gz WXSOTWOOHLTKHY-VIFPVBQESA-N 1 0 228.317 0.381 10 0 BCAERO COc1cccc(F)c1C(=O)NC1C[NH2+]C1 ZINC000085255469 537119655 /nfs/dbraw/zinc/11/96/55/537119655.db2.gz OZVHREMFTWZUDM-UHFFFAOYSA-N 1 0 224.235 0.536 10 0 BCAERO COc1cncnc1N1CC[NH2+][C@H](C)C1 ZINC000034435249 537127999 /nfs/dbraw/zinc/12/79/99/537127999.db2.gz HEJJUDZBNTVHQV-MRVPVSSYSA-N 1 0 208.265 0.283 10 0 BCAERO CC[C@@H]([NH3+])CCCn1cc(S(C)(=O)=O)cn1 ZINC000725252937 538035133 /nfs/dbraw/zinc/03/51/33/538035133.db2.gz PQEIPPQNRGKBJU-SECBINFHSA-N 1 0 245.348 0.804 10 0 BCAERO Cn1nccc1-c1c(C[NH3+])nnn1C1CC1 ZINC000725257899 538070254 /nfs/dbraw/zinc/07/02/54/538070254.db2.gz ZETURSYYTGVHGY-UHFFFAOYSA-N 1 0 218.264 0.472 10 0 BCAERO CC1(C)[C@@H](O)C[C@@H]1[NH2+]CC1(O)CCSCC1 ZINC000309520331 538117838 /nfs/dbraw/zinc/11/78/38/538117838.db2.gz ZVNLGSGWDTVTTI-UWVGGRQHSA-N 1 0 245.388 0.994 10 0 BCAERO C[N@@H+]1CCCC[C@H]1CCn1cnc(N)n1 ZINC000234375024 566262321 /nfs/dbraw/zinc/26/23/21/566262321.db2.gz FTRHZAWLBBKOFO-VIFPVBQESA-N 1 0 209.297 0.735 10 0 BCAERO C=C(Cl)C(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725258199 566304702 /nfs/dbraw/zinc/30/47/02/566304702.db2.gz KGXWXYHPYFXAAS-UHFFFAOYSA-N 1 0 226.667 0.718 10 0 BCAERO Cc1cc(=O)c2cnn(C3C[NH2+]C3)c2[nH]1 ZINC000725259316 566305663 /nfs/dbraw/zinc/30/56/63/566305663.db2.gz WCZBOGIIKOLWCR-UHFFFAOYSA-N 1 0 204.233 0.590 10 0 BCAERO CN(C)[S@](C)(=O)=NC[C@@H]1CCC[NH2+]C1 ZINC000725259444 566306069 /nfs/dbraw/zinc/30/60/69/566306069.db2.gz XWBXPBYRUCMEKD-YMTOWFKASA-N 1 0 219.354 0.560 10 0 BCAERO C[C@H](CO)C[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000231637577 566314050 /nfs/dbraw/zinc/31/40/50/566314050.db2.gz NBRIJRNXPJHMCV-NWDGAFQWSA-N 1 0 228.336 0.021 10 0 BCAERO COCC1(C[NH2+]CCO)CCOCC1 ZINC000669381777 566386954 /nfs/dbraw/zinc/38/69/54/566386954.db2.gz UWLDCYYNHGZNTR-UHFFFAOYSA-N 1 0 203.282 0.012 10 0 BCAERO O[C@@H]1C[NH2+]C[C@@H]1N1Cc2ccccc2C1 ZINC000082524491 566410067 /nfs/dbraw/zinc/41/00/67/566410067.db2.gz VNRVQEVSAYNFHD-NWDGAFQWSA-N 1 0 204.273 0.335 10 0 BCAERO O=C(CC1CC1)N[C@]1(CO)CCC[NH2+]C1 ZINC000669384989 566427687 /nfs/dbraw/zinc/42/76/87/566427687.db2.gz RKUMURAIKGZRIX-LLVKDONJSA-N 1 0 212.293 0.017 10 0 BCAERO CCN1CCO[C@@H](C[NH2+][C@@H](C)CCCCO)C1 ZINC000398372508 583129336 /nfs/dbraw/zinc/12/93/36/583129336.db2.gz JEIJRLDGAXRKMP-STQMWFEESA-N 1 0 244.379 0.848 10 0 BCAERO CCOCC(=O)c1nc(CC[NH3+])cs1 ZINC000757124009 582499217 /nfs/dbraw/zinc/49/92/17/582499217.db2.gz NEJFKSQOTVFCOM-UHFFFAOYSA-N 1 0 214.290 0.864 10 0 BCAERO C1C[C@]2(CO1)CC[NH2+][C@]1(CCSC1)O2 ZINC000757138346 582517470 /nfs/dbraw/zinc/51/74/70/582517470.db2.gz BJQBNWVESPAJLF-VHSXEESVSA-N 1 0 215.318 0.989 10 0 BCAERO CCC[C@@H]1CCO[C@]2(CCS(=O)(=O)C2)[NH2+]1 ZINC000757138998 582518668 /nfs/dbraw/zinc/51/86/68/582518668.db2.gz DXWQMQSUDCFDNA-ZJUUUORDSA-N 1 0 233.333 0.680 10 0 BCAERO CC1(C)CC[C@]2(C1)[NH2+]C[C@]1(COCCN1)CO2 ZINC000757139368 582519787 /nfs/dbraw/zinc/51/97/87/582519787.db2.gz HAQCPMZQCODWQA-STQMWFEESA-N 1 0 240.347 0.871 10 0 BCAERO C1CC2(CCO1)C[NH2+]C1(CCOCC1)OC2 ZINC000757139783 582520268 /nfs/dbraw/zinc/52/02/68/582520268.db2.gz HSDITUIOKUEUNO-UHFFFAOYSA-N 1 0 227.304 0.910 10 0 BCAERO CCCn1ncnc1CN1CC[C@@H]1C[NH3+] ZINC000757141258 582521827 /nfs/dbraw/zinc/52/18/27/582521827.db2.gz CVSLCAXYGFNKAB-SECBINFHSA-N 1 0 209.297 0.221 10 0 BCAERO Cc1[nH+]c(N2CC[C@H]2C(N)=O)ccc1N ZINC000757144392 582525323 /nfs/dbraw/zinc/52/53/23/582525323.db2.gz JDIQBWWCQMTRCF-QMMMGPOBSA-N 1 0 206.249 0.036 10 0 BCAERO CCc1ncnc(N2CC[C@H]2C[NH3+])c1F ZINC000757144739 582525452 /nfs/dbraw/zinc/52/54/52/582525452.db2.gz JKANHRCLGHJDGE-ZETCQYMHSA-N 1 0 210.256 0.716 10 0 BCAERO NC(=O)[C@H]1CCN1CC[C@H]1CCCC[NH2+]1 ZINC000757144313 582525613 /nfs/dbraw/zinc/52/56/13/582525613.db2.gz IYWJPIZTKQAMRN-NXEZZACHSA-N 1 0 211.309 0.078 10 0 BCAERO CCOCCOCCN1CC[C@H]1C[NH3+] ZINC000757145450 582527887 /nfs/dbraw/zinc/52/78/87/582527887.db2.gz LIEQOGOGQJRSIW-JTQLQIEISA-N 1 0 202.298 0.073 10 0 BCAERO Cn1cncc1CCCN1CC[C@@H]1C[NH3+] ZINC000757147097 582530236 /nfs/dbraw/zinc/53/02/36/582530236.db2.gz SNAIJXSGDFBDBV-SNVBAGLBSA-N 1 0 208.309 0.386 10 0 BCAERO CCCN(C)S(=O)(=O)C[C@H]([NH3+])CC ZINC000757147610 582531292 /nfs/dbraw/zinc/53/12/92/582531292.db2.gz CUOMBFLKCIPQPS-MRVPVSSYSA-N 1 0 208.327 0.395 10 0 BCAERO Cc1cc(C)n(CCN2CC[C@@H]2C[NH3+])n1 ZINC000757148197 582532332 /nfs/dbraw/zinc/53/23/32/582532332.db2.gz WQJTXXQVBSPODX-LLVKDONJSA-N 1 0 208.309 0.533 10 0 BCAERO CCC[C@H]([NH3+])CS(=O)(=O)N(CC)CC ZINC000757150277 582533815 /nfs/dbraw/zinc/53/38/15/582533815.db2.gz FEBFZBLFEQHFGX-VIFPVBQESA-N 1 0 222.354 0.785 10 0 BCAERO [NH3+]C[C@@H]1CCN1c1ncncc1Br ZINC000757150634 582534566 /nfs/dbraw/zinc/53/45/66/582534566.db2.gz WOHRCVLXZSJEBX-LURJTMIESA-N 1 0 243.108 0.777 10 0 BCAERO COC[C@H]1CCO[C@]2(CCC[NH2+]C2)N1 ZINC000757150652 582534576 /nfs/dbraw/zinc/53/45/76/582534576.db2.gz RQEGVPJKNKXWIG-ZJUUUORDSA-N 1 0 200.282 0.091 10 0 BCAERO CN(C)S(=O)(=O)C[C@H]([NH3+])CC(C)(C)C ZINC000757150961 582534596 /nfs/dbraw/zinc/53/45/96/582534596.db2.gz LEWXWMSMJNYNDC-MRVPVSSYSA-N 1 0 222.354 0.641 10 0 BCAERO [NH3+]C[C@H]1CCN1c1ncncc1Br ZINC000757150645 582534669 /nfs/dbraw/zinc/53/46/69/582534669.db2.gz WOHRCVLXZSJEBX-ZCFIWIBFSA-N 1 0 243.108 0.777 10 0 BCAERO COc1cc(N2CC[C@H]2C[NH3+])nc(C)n1 ZINC000757152807 582537150 /nfs/dbraw/zinc/53/71/50/582537150.db2.gz RQBNDQAWNDZXLX-QMMMGPOBSA-N 1 0 208.265 0.331 10 0 BCAERO C[C@H](CCC(N)=S)[N@@H+]1CC[C@@H]1C(N)=O ZINC000757158181 582540641 /nfs/dbraw/zinc/54/06/41/582540641.db2.gz OHWYQMNRFUMKNP-RNFRBKRXSA-N 1 0 215.322 0.001 10 0 BCAERO COC[C@@H](CN1CC[C@@H]1C[NH3+])C(C)C ZINC000757157433 582540974 /nfs/dbraw/zinc/54/09/74/582540974.db2.gz NDJOQNFGYZIDDA-GHMZBOCLSA-N 1 0 200.326 0.938 10 0 BCAERO CC1(C)C[C@H](N2CC[C@@H]2C(N)=O)CC[NH2+]1 ZINC000757163254 582544603 /nfs/dbraw/zinc/54/46/03/582544603.db2.gz ZAZZPTUXLAJCNF-RKDXNWHRSA-N 1 0 211.309 0.077 10 0 BCAERO Cc1ccoc1CSC[C@@H]([NH3+])C(N)=O ZINC000757167578 582548815 /nfs/dbraw/zinc/54/88/15/582548815.db2.gz XFPHPPFKFHFWMH-SSDOTTSWSA-N 1 0 214.290 0.634 10 0 BCAERO C1C[NH2+]C[C@@H](c2[nH]nc3c2C[NH2+]CC3)C1 ZINC000757168422 582549603 /nfs/dbraw/zinc/54/96/03/582549603.db2.gz DQKRGGGYNSCPBB-QMMMGPOBSA-N 1 0 206.293 0.522 10 0 BCAERO COC(=O)c1c[nH]nc1[C@@H]1CCC[NH2+]C1 ZINC000757171893 582552039 /nfs/dbraw/zinc/55/20/39/582552039.db2.gz ZILLHRISBUHYKQ-SSDOTTSWSA-N 1 0 209.249 0.663 10 0 BCAERO CC(C)NS(=O)(=O)C[C@@]12CC[C@@H](C[C@H]1[NH3+])C2 ZINC000757207480 582559756 /nfs/dbraw/zinc/55/97/56/582559756.db2.gz BIGNPQMCFPGWNL-AXFHLTTASA-N 1 0 246.376 0.832 10 0 BCAERO [NH3+][C@H]1C[NH2+]C[C@H](c2cccc(C(=O)[O-])c2)C1 ZINC000757216022 582561028 /nfs/dbraw/zinc/56/10/28/582561028.db2.gz OJKWGJJZAKZBNH-GHMZBOCLSA-N 1 0 220.272 0.789 10 0 BCAERO CCn1cc([C@H]2C[NH2+]C[C@@H](C[NH3+])C2)cn1 ZINC000757234640 582563535 /nfs/dbraw/zinc/56/35/35/582563535.db2.gz LAVIZYNQETYLRB-NXEZZACHSA-N 1 0 208.309 0.555 10 0 BCAERO C[C@H]1CN2C(=[NH+]CC[C@H]2C(F)(F)F)N1 ZINC000235684715 582601713 /nfs/dbraw/zinc/60/17/13/582601713.db2.gz JKGDSHCGVYTPSY-WDSKDSINSA-N 1 0 207.199 0.971 10 0 BCAERO Nc1ccc2c(c1)nn1c2NCC[C@@H]1C[NH3+] ZINC000236187256 582641038 /nfs/dbraw/zinc/64/10/38/582641038.db2.gz MPGSZXUWTDAMCY-MRVPVSSYSA-N 1 0 217.276 0.934 10 0 BCAERO [NH3+]CCCc1nc2n(n1)[C@@H](C(F)F)CCN2 ZINC000236188468 582641089 /nfs/dbraw/zinc/64/10/89/582641089.db2.gz DZXQWHLXICBQTN-ZCFIWIBFSA-N 1 0 231.250 0.791 10 0 BCAERO [NH3+]C[C@@H]1CCNc2nc([C@H]3CCCO3)nn21 ZINC000236227307 582642421 /nfs/dbraw/zinc/64/24/21/582642421.db2.gz DFUCFZGQQZBUIO-JGVFFNPUSA-N 1 0 223.280 0.445 10 0 BCAERO [NH3+]C[C@H]1CCNc2nc([C@H]3CCOC3)nn21 ZINC000236251126 582643265 /nfs/dbraw/zinc/64/32/65/582643265.db2.gz DZAAEWABONEISL-JGVFFNPUSA-N 1 0 223.280 0.097 10 0 BCAERO Nc1cnn2c1nccc2[C@H]1CCC[NH2+]C1 ZINC000236376976 582654111 /nfs/dbraw/zinc/65/41/11/582654111.db2.gz UKXPKHMWQISCPH-QMMMGPOBSA-N 1 0 217.276 0.779 10 0 BCAERO OCC[C@@H]1C[NH+]=C2N[C@@H]3CCCC[C@@H]3N2C1 ZINC000236496254 582657393 /nfs/dbraw/zinc/65/73/93/582657393.db2.gz RJQZJBGFNAAMQT-MXWKQRLJSA-N 1 0 223.320 0.571 10 0 BCAERO C[C@H]1C[NH+](CCC2OCCO2)C[C@H](C)O1 ZINC000123583101 582850508 /nfs/dbraw/zinc/85/05/08/582850508.db2.gz YLPMKFJOGJTELJ-UWVGGRQHSA-N 1 0 215.293 0.859 10 0 BCAERO CC(C)[NH2+][C@@H](Cn1cc(Cl)cn1)C(N)=O ZINC000045436825 582880435 /nfs/dbraw/zinc/88/04/35/582880435.db2.gz HNNFGQPGPVGDCG-QMMMGPOBSA-N 1 0 230.699 0.388 10 0 BCAERO C[C@@]([NH3+])(CCn1cc(Cl)cn1)C(N)=O ZINC000045436979 582880459 /nfs/dbraw/zinc/88/04/59/582880459.db2.gz XTNXKMONZACRNG-MRVPVSSYSA-N 1 0 216.672 0.129 10 0 BCAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]CCn1ccccc1=O ZINC000392957485 582909472 /nfs/dbraw/zinc/90/94/72/582909472.db2.gz HLWGJJNGKBLKIC-QWRGUYRKSA-N 1 0 249.314 0.105 10 0 BCAERO CCCCNC(=O)[C@H](C)n1cc[nH+]c1N ZINC000702465434 582926270 /nfs/dbraw/zinc/92/62/70/582926270.db2.gz ACWCRRMGQKXMJG-QMMMGPOBSA-N 1 0 210.281 0.943 10 0 BCAERO CCCCNC(=O)[C@@H](C)n1cc[nH+]c1N ZINC000702465432 582926768 /nfs/dbraw/zinc/92/67/68/582926768.db2.gz ACWCRRMGQKXMJG-MRVPVSSYSA-N 1 0 210.281 0.943 10 0 BCAERO CC(C)CCNC(=O)Cn1cc[nH+]c1N ZINC000702470625 582926778 /nfs/dbraw/zinc/92/67/78/582926778.db2.gz BDVKIQCJVXPUAL-UHFFFAOYSA-N 1 0 210.281 0.628 10 0 BCAERO CC(C)[C@H]([NH2+]Cc1ccccn1)C(N)=O ZINC000107322935 582951241 /nfs/dbraw/zinc/95/12/41/582951241.db2.gz XBCAAJSEUWCMHA-JTQLQIEISA-N 1 0 207.277 0.681 10 0 BCAERO OCCN1CCC([NH2+]CC[C@@H]2CCOC2)CC1 ZINC000399075480 583170111 /nfs/dbraw/zinc/17/01/11/583170111.db2.gz NJHPNRAYEYGWLF-GFCCVEGCSA-N 1 0 242.363 0.459 10 0 BCAERO C[C@@H](CCCCO)[NH2+]C1CCN(CCO)CC1 ZINC000399099109 583170254 /nfs/dbraw/zinc/17/02/54/583170254.db2.gz ZNYOBWNLONORGC-LBPRGKRZSA-N 1 0 244.379 0.584 10 0 BCAERO Cc1nc(C)c(F)c(N2CC=C(N)[NH2+]2)n1 ZINC000895246489 583632672 /nfs/dbraw/zinc/63/26/72/583632672.db2.gz CGYNBQGUNBYMBW-UHFFFAOYSA-N 1 0 209.228 0.357 10 0 BCAERO CCOC1(C)CN(CC(F)(F)CN)C1 ZINC000398902926 583693711 /nfs/dbraw/zinc/69/37/11/583693711.db2.gz CDYVNLVOTSMLQZ-UHFFFAOYSA-N 1 0 208.252 0.691 10 0 BCAERO CN(C(=O)CC1CC1)C1(C[NH3+])CCOCC1 ZINC000675052803 583916266 /nfs/dbraw/zinc/91/62/66/583916266.db2.gz AAMTZHUSMCOGQH-UHFFFAOYSA-N 1 0 226.320 0.753 10 0 BCAERO COC(=O)c1ccc(N(C)C[C@@H](C)[NH3+])nc1 ZINC000212559760 583929700 /nfs/dbraw/zinc/92/97/00/583929700.db2.gz IVCRNEFLRJGDAI-MRVPVSSYSA-N 1 0 223.276 0.652 10 0 BCAERO [NH3+]C1(CNc2cn[nH]c(=O)c2Cl)CC1 ZINC000900409138 584304105 /nfs/dbraw/zinc/30/41/05/584304105.db2.gz LSKJSDIYPFZEMM-UHFFFAOYSA-N 1 0 214.656 0.739 10 0 BCAERO C[C@H](C(=O)N1CCCC1)n1cc[nH+]c1N ZINC000702459194 584937075 /nfs/dbraw/zinc/93/70/75/584937075.db2.gz GQYBAWDRJYLLSL-MRVPVSSYSA-N 1 0 208.265 0.649 10 0 BCAERO c1cc([C@@H]2CCNC3=[NH+]CCN32)ccn1 ZINC000232463111 585030902 /nfs/dbraw/zinc/03/09/02/585030902.db2.gz AYDTZVHZIMWPEL-JTQLQIEISA-N 1 0 202.261 0.788 10 0 BCAERO C1C[NH2+]C[C@H]([C@H]2CCNc3nnnn32)C1 ZINC000232461355 585030968 /nfs/dbraw/zinc/03/09/68/585030968.db2.gz WBNHTOTZKVDLSR-HTQZYQBOSA-N 1 0 208.269 0.029 10 0 BCAERO O[C@]1(C[NH2+]CCc2ccccc2)CCOC1 ZINC000221245241 585255495 /nfs/dbraw/zinc/25/54/95/585255495.db2.gz XGJZPDBXNLNXBY-ZDUSSCGKSA-N 1 0 221.300 0.970 10 0 BCAERO CO[C@H](C)[C@@H](O)c1nc(CC[NH3+])cs1 ZINC000757127545 586426335 /nfs/dbraw/zinc/42/63/35/586426335.db2.gz JEUACHWHGLODTA-HTRCEHHLSA-N 1 0 216.306 0.713 10 0 BCAERO CN1CC[C@@]2(C1)[NH2+]CC[C@@]1(CCOC1)O2 ZINC000757138751 586427825 /nfs/dbraw/zinc/42/78/25/586427825.db2.gz DKKMGJXVRXWLAX-WDEREUQCSA-N 1 0 212.293 0.187 10 0 BCAERO CCN(C)S(=O)(=O)C[C@H]([NH3+])C1CCCC1 ZINC000757151010 586428863 /nfs/dbraw/zinc/42/88/63/586428863.db2.gz MKVBGHAOJPGIFS-JTQLQIEISA-N 1 0 234.365 0.785 10 0 BCAERO C[C@H](NC(=O)OC(C)(C)C)[C@@](C)([NH3+])CC(N)=O ZINC000757152992 586429681 /nfs/dbraw/zinc/42/96/81/586429681.db2.gz FIKOJQSTJBYIRV-CPCISQLKSA-N 1 0 245.323 0.492 10 0 BCAERO CCc1nc(C)cc(N2CC[C@@H]2C[NH3+])n1 ZINC000757154573 586430180 /nfs/dbraw/zinc/43/01/80/586430180.db2.gz ZERQJUGENLBVMX-SECBINFHSA-N 1 0 206.293 0.885 10 0 BCAERO CC(C)(C)OC(=O)[C@@H]1C[NH2+]C[C@@]12CCOC2 ZINC000757185847 586434253 /nfs/dbraw/zinc/43/42/53/586434253.db2.gz UEXIOYIVMLZUEQ-JOYOIKCWSA-N 1 0 227.304 0.954 10 0 BCAERO COC(=O)[C@@H]1C[NH2+]C[C@@]12CCCSC2 ZINC000757186258 586434522 /nfs/dbraw/zinc/43/45/22/586434522.db2.gz WRWVCODYJVKMMV-WCBMZHEXSA-N 1 0 215.318 0.892 10 0 BCAERO CC(C)CCn1cnc(C[C@H]([NH3+])CO)c1 ZINC000757186989 586434560 /nfs/dbraw/zinc/43/45/60/586434560.db2.gz HWPIMUIJZAQDKY-JTQLQIEISA-N 1 0 211.309 0.791 10 0 BCAERO CC(C)CCn1cnc(C[C@@H]([NH3+])CO)c1 ZINC000757186993 586434592 /nfs/dbraw/zinc/43/45/92/586434592.db2.gz HWPIMUIJZAQDKY-SNVBAGLBSA-N 1 0 211.309 0.791 10 0 BCAERO COC(=O)[C@@H]1C[NH2+]C[C@H]1c1ncccc1F ZINC000757191257 586435596 /nfs/dbraw/zinc/43/55/96/586435596.db2.gz SKUYOWQOSJBVOQ-HTQZYQBOSA-N 1 0 224.235 0.697 10 0 BCAERO CCOC(=O)[C@H]1C[NH2+]C[C@@H]1c1ccc[nH]1 ZINC000757192110 586435831 /nfs/dbraw/zinc/43/58/31/586435831.db2.gz VHJJBEKPSXVYGB-IUCAKERBSA-N 1 0 208.261 0.881 10 0 BCAERO CCOC(=O)[C@H]1C[NH2+]C[C@H]1c1ccc[nH]1 ZINC000757192108 586436132 /nfs/dbraw/zinc/43/61/32/586436132.db2.gz VHJJBEKPSXVYGB-BDAKNGLRSA-N 1 0 208.261 0.881 10 0 BCAERO O=C([O-])[C@H]1CCC[C@@H](C2CC[NH2+]CC2)[NH2+]1 ZINC000757208015 586438102 /nfs/dbraw/zinc/43/81/02/586438102.db2.gz BZLLTQPLCANLJR-VHSXEESVSA-N 1 0 212.293 0.581 10 0 BCAERO O=C([O-])[C@@H]1CC[C@@H](C2CC[NH2+]CC2)[NH2+]C1 ZINC000757211899 586438805 /nfs/dbraw/zinc/43/88/05/586438805.db2.gz JHDLTOXMSWDUMO-ZJUUUORDSA-N 1 0 212.293 0.439 10 0 BCAERO [NH3+]Cc1ccc([C@H]2CC[NH2+]C[C@@H]2C(=O)[O-])cc1 ZINC000757215822 586440599 /nfs/dbraw/zinc/44/05/99/586440599.db2.gz ODMZNYUGENHTNZ-NEPJUHHUSA-N 1 0 234.299 0.923 10 0 BCAERO O=C([O-])[C@@H]1CC[NH2+]C[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000757215750 586440797 /nfs/dbraw/zinc/44/07/97/586440797.db2.gz NXQJTEDIGIHVFY-IVZWLZJFSA-N 1 0 212.293 0.296 10 0 BCAERO C[C@@H]1C[C@H]([C@H]2C[C@@H](C(=O)[O-])CC[NH2+]2)CC[NH2+]1 ZINC000757229446 586442698 /nfs/dbraw/zinc/44/26/98/586442698.db2.gz FAKZNBIJEWYFNL-CHWFTXMASA-N 1 0 226.320 0.827 10 0 BCAERO CCn1cc([C@@H]2NCC[C@@H](C)[C@@H]2[NH3+])cn1 ZINC000757235595 586443413 /nfs/dbraw/zinc/44/34/13/586443413.db2.gz LUUCPBPGILXBEW-MIMYLULJSA-N 1 0 208.309 0.901 10 0 BCAERO C[C@@H]1C[C@H]([C@H]2CC[NH2+]C[C@@H]2C(=O)[O-])CC[NH2+]1 ZINC000757235704 586443838 /nfs/dbraw/zinc/44/38/38/586443838.db2.gz MJJSKJPEVZNYPO-DBIOUOCHSA-N 1 0 226.320 0.685 10 0 BCAERO CC(C)[C@H](C)n1nnc2c1nc[nH+]c2NN ZINC000757564305 586461195 /nfs/dbraw/zinc/46/11/95/586461195.db2.gz DCPRHSNLGNXSCI-LURJTMIESA-N 1 0 221.268 0.724 10 0 BCAERO NNc1[nH+]cnc2c1nnn2C1CCCC1 ZINC000757564263 586461297 /nfs/dbraw/zinc/46/12/97/586461297.db2.gz CWVRAZSPHDXRTF-UHFFFAOYSA-N 1 0 219.252 0.622 10 0 BCAERO COC(=O)c1ccc(N(C)CC[NH3+])nc1 ZINC000107208408 588342366 /nfs/dbraw/zinc/34/23/66/588342366.db2.gz PJRUOEVPMIBIDX-UHFFFAOYSA-N 1 0 209.249 0.263 10 0 BCAERO C[NH2+][C@](C)(C[C@H](C)n1nccc1C)C(N)=O ZINC000203549478 589246118 /nfs/dbraw/zinc/24/61/18/589246118.db2.gz KMZRIOCNCKEHSF-GXSJLCMTSA-N 1 0 224.308 0.606 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1c1nc(-c2nccn2C)no1 ZINC000122117624 589554898 /nfs/dbraw/zinc/55/48/98/589554898.db2.gz WDCUFEAGFMCECD-HTQZYQBOSA-N 1 0 233.275 0.793 10 0 BCAERO Cn1ccnc1-c1noc([C@H]2CCC[NH2+]2)n1 ZINC000122142531 589557304 /nfs/dbraw/zinc/55/73/04/589557304.db2.gz NSKFXDAGVUTGTL-SSDOTTSWSA-N 1 0 219.248 0.895 10 0 BCAERO O=C(C[NH2+]CCc1ccccc1)N1CCOCC1 ZINC000020050777 590070717 /nfs/dbraw/zinc/07/07/17/590070717.db2.gz RINRCBUNOJLUEK-UHFFFAOYSA-N 1 0 248.326 0.678 10 0 BCAERO COC[C@H](C)C(=O)N(C)C1CC[NH2+]CC1 ZINC000125365914 590162683 /nfs/dbraw/zinc/16/26/83/590162683.db2.gz QNFWACOJISJPBY-VIFPVBQESA-N 1 0 214.309 0.479 10 0 BCAERO CCOc1cc(N(C)[C@H](C)C[NH3+])ncn1 ZINC000125472166 590165370 /nfs/dbraw/zinc/16/53/70/590165370.db2.gz MFBOUPQPDFHDJH-MRVPVSSYSA-N 1 0 210.281 0.659 10 0 BCAERO CCOc1cncc(N(C)[C@@H](C)C[NH3+])n1 ZINC000125479770 590165555 /nfs/dbraw/zinc/16/55/55/590165555.db2.gz IZTYHRRMFNSQAV-QMMMGPOBSA-N 1 0 210.281 0.659 10 0 BCAERO CN(C[C@H]1CCCO1)C(=O)C1([NH3+])CCOCC1 ZINC000127878704 590825752 /nfs/dbraw/zinc/82/57/52/590825752.db2.gz WWOWCBKVNIBIOY-SNVBAGLBSA-N 1 0 242.319 0.132 10 0 BCAERO CO[C@H]1C[NH2+][C@@H](C(=O)Nc2ccc(F)nc2)C1 ZINC000210690469 590953419 /nfs/dbraw/zinc/95/34/19/590953419.db2.gz GFWUWXCJJDYYHD-RKDXNWHRSA-N 1 0 239.250 0.536 10 0 BCAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=S)NC ZINC000128940921 591192099 /nfs/dbraw/zinc/19/20/99/591192099.db2.gz XEAQSLGXBRVDQP-VIFPVBQESA-N 1 0 215.366 0.907 10 0 BCAERO CC[C@]1(C(=O)N[C@@H]2CCCOC2)CCC[NH2+]1 ZINC000129031606 591207604 /nfs/dbraw/zinc/20/76/04/591207604.db2.gz GWWLBYZHBLXIPF-ZYHUDNBSSA-N 1 0 226.320 0.814 10 0 BCAERO C[C@@H]1C[C@@](N)(CC(N)=O)C[N@@H+]1Cc1ccccc1 ZINC000211633635 591209068 /nfs/dbraw/zinc/20/90/68/591209068.db2.gz RAZYONAFKOBSBO-BXUZGUMPSA-N 1 0 247.342 0.854 10 0 BCAERO CCN(CC(=O)NC(C)C)[C@H]1CCC[NH2+]CC1 ZINC000129488492 591312114 /nfs/dbraw/zinc/31/21/14/591312114.db2.gz RMMOUMZBULZGQF-LBPRGKRZSA-N 1 0 241.379 0.975 10 0 BCAERO COC(=O)c1ccc(N(C)C[C@H](C)[NH3+])nc1 ZINC000212559692 591414426 /nfs/dbraw/zinc/41/44/26/591414426.db2.gz IVCRNEFLRJGDAI-QMMMGPOBSA-N 1 0 223.276 0.652 10 0 BCAERO CCNC(=S)N1C[C@@H](C)[C@H]([NH+](C)C)C1 ZINC000130402039 591464859 /nfs/dbraw/zinc/46/48/59/591464859.db2.gz CPEATDYTDKURMC-RKDXNWHRSA-N 1 0 215.366 0.763 10 0 BCAERO COCCNC(=S)N1C[C@@H](C)[C@@H]([NH+](C)C)C1 ZINC000130404453 591464178 /nfs/dbraw/zinc/46/41/78/591464178.db2.gz QLCFWTJJFJKJCS-ZJUUUORDSA-N 1 0 245.392 0.389 10 0 BCAERO CCC[C@@H](OC)c1noc([C@H]2C[C@@H](O)C[NH2+]2)n1 ZINC000132303111 591699299 /nfs/dbraw/zinc/69/92/99/591699299.db2.gz BCYPWRBUYNTVBS-IWSPIJDZSA-N 1 0 241.291 0.953 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)c1ccnnc1 ZINC000132423058 591708473 /nfs/dbraw/zinc/70/84/73/591708473.db2.gz LZNSXZNCOXMWSS-WPRPVWTQSA-N 1 0 220.276 0.334 10 0 BCAERO CCc1cc(CC)n(C[C@](C)([NH3+])C(N)=O)n1 ZINC000132542762 591717831 /nfs/dbraw/zinc/71/78/31/591717831.db2.gz YAXLAGCKMLUIPP-NSHDSACASA-N 1 0 224.308 0.211 10 0 BCAERO CONC(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000133896636 591868083 /nfs/dbraw/zinc/86/80/83/591868083.db2.gz JDBGLACSOANARV-SNVBAGLBSA-N 1 0 229.324 0.967 10 0 BCAERO C[C@@H]1OCC[C@@H]1NC(=O)C[C@H]([NH3+])C1CC1 ZINC000134257407 591907479 /nfs/dbraw/zinc/90/74/79/591907479.db2.gz MYZVALYCETWZQA-HGNGGELXSA-N 1 0 212.293 0.407 10 0 BCAERO C[C@H]1OCC[C@@H]1NC(=O)C1([NH3+])CCCCC1 ZINC000134257568 591907678 /nfs/dbraw/zinc/90/76/78/591907678.db2.gz OZKYLPKZRZEQDJ-ZJUUUORDSA-N 1 0 226.320 0.942 10 0 BCAERO C[C@H]1OCC[C@H]1NC(=O)[C@@H]([NH3+])C(C)(C)C ZINC000134258751 591908132 /nfs/dbraw/zinc/90/81/32/591908132.db2.gz GEFLNVCIFIXSQR-IWSPIJDZSA-N 1 0 214.309 0.653 10 0 BCAERO CC(C)[C@@H]([NH3+])CC(=O)NOCC(F)(F)F ZINC000134361267 591922140 /nfs/dbraw/zinc/92/21/40/591922140.db2.gz UALRMDYOSXYXEX-LURJTMIESA-N 1 0 228.214 0.970 10 0 BCAERO C[C@H]1OCC[C@@H]1NC(=O)C[C@@H]1CC[NH2+]C1 ZINC000134556962 591936139 /nfs/dbraw/zinc/93/61/39/591936139.db2.gz DFBUBLRKTHFMSG-UTLUCORTSA-N 1 0 212.293 0.280 10 0 BCAERO O=C(CC[C@@H]1CC[NH2+]C1)NC[C@@H]1CCC[C@@H]1O ZINC000134579510 591938661 /nfs/dbraw/zinc/93/86/61/591938661.db2.gz XAQDIDGBZIMARR-WOPDTQHZSA-N 1 0 240.347 0.653 10 0 BCAERO C[NH+](C)CCCCNC(=O)N1CCOCC1 ZINC000136289914 592104819 /nfs/dbraw/zinc/10/48/19/592104819.db2.gz QXBFCBCQTQKVQY-UHFFFAOYSA-N 1 0 229.324 0.370 10 0 BCAERO CCOc1cc(N2CC[C@@H]3C[NH2+]C[C@@H]32)nc(C)n1 ZINC000220544340 592315276 /nfs/dbraw/zinc/31/52/76/592315276.db2.gz UCTVQGGOAIUAGM-MNOVXSKESA-N 1 0 248.330 0.982 10 0 BCAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cnc(N)cn1 ZINC000300068514 592502088 /nfs/dbraw/zinc/50/20/88/592502088.db2.gz OFLWMXJYXKBGQE-PWSUYJOCSA-N 1 0 247.346 0.727 10 0 BCAERO C[C@H](O)[C@H](C)[NH2+]C[C@H](O)C(F)(F)F ZINC000300354871 592507447 /nfs/dbraw/zinc/50/74/47/592507447.db2.gz KFTZRWXOZKRNDR-ZLUOBGJFSA-N 1 0 201.188 0.269 10 0 BCAERO CC(=O)[C@H]1CCC[N@@H+]([C@@H](C)C(=O)NC2CC2)C1 ZINC000104408866 592613220 /nfs/dbraw/zinc/61/32/20/592613220.db2.gz BWIBZVZLUZQYDV-ONGXEEELSA-N 1 0 238.331 0.955 10 0 BCAERO COCC[C@H]([NH3+])C(=O)N1CCS[C@H](C)C1 ZINC000123373942 592714098 /nfs/dbraw/zinc/71/40/98/592714098.db2.gz RLWRSUZCXOBTPB-BDAKNGLRSA-N 1 0 232.349 0.314 10 0 BCAERO C[NH+](C)[C@H]1CCN(c2ncc(C=O)cn2)C1 ZINC000126410027 592724654 /nfs/dbraw/zinc/72/46/54/592724654.db2.gz TUIBKXXRBNXBKF-JTQLQIEISA-N 1 0 220.276 0.429 10 0 BCAERO C[C@H]1OCC[C@@H]1NC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000333506859 634432933 /nfs/dbraw/zinc/43/29/33/634432933.db2.gz DXZDRPIAPOXBGQ-ZNSHCXBVSA-N 1 0 239.319 0.167 10 0 BCAERO C[C@H]1CCN(c2ccnc(N(C)C)n2)C[C@H]1C[NH3+] ZINC000253200070 634532006 /nfs/dbraw/zinc/53/20/06/634532006.db2.gz WWGWXLUIJMERQE-WDEREUQCSA-N 1 0 249.362 0.964 10 0 BCAERO CC(C)OC(=O)CNC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000236762698 634585684 /nfs/dbraw/zinc/58/56/84/634585684.db2.gz KGEHVEJKONLBJF-DTWKUNHWSA-N 1 0 228.292 0.182 10 0 BCAERO C[C@@H]([NH2+]Cc1cc(C(N)=O)cs1)[C@H](C)O ZINC000336761192 635284693 /nfs/dbraw/zinc/28/46/93/635284693.db2.gz NBBLEOYTIGHVSU-RQJHMYQMSA-N 1 0 228.317 0.706 10 0 BCAERO COC(=O)[C@H]1C[N@H+](CCC(C)(C)O)C[C@@H]1C ZINC000094996448 635402521 /nfs/dbraw/zinc/40/25/21/635402521.db2.gz ABSWQTLRJAWSFJ-UWVGGRQHSA-N 1 0 229.320 0.888 10 0 BCAERO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)c1ccc[nH]c1=O ZINC000229583613 635475829 /nfs/dbraw/zinc/47/58/29/635475829.db2.gz GEFXHLDNIPORMH-SCZZXKLOSA-N 1 0 235.287 0.658 10 0 BCAERO COC1(CC(=O)NCC2CC([NH3+])C2)CCC1 ZINC000234595107 635556097 /nfs/dbraw/zinc/55/60/97/635556097.db2.gz KIIXIXCPZLBQIL-UHFFFAOYSA-N 1 0 226.320 0.799 10 0 BCAERO COC(=O)[C@@H]1C[NH2+]C[C@@H]1c1cccc(OC)n1 ZINC000234541430 635557044 /nfs/dbraw/zinc/55/70/44/635557044.db2.gz HHNCVIDJJPPGTC-DTWKUNHWSA-N 1 0 236.271 0.566 10 0 BCAERO [NH3+]C1CC(CNC(=O)c2ccncc2F)C1 ZINC000084446960 631440904 /nfs/dbraw/zinc/44/09/04/631440904.db2.gz ZLFIUQGVCJZOAI-UHFFFAOYSA-N 1 0 223.251 0.688 10 0 BCAERO OC[C@@H](O)C[NH2+][C@H]1CCc2c1cccc2O ZINC000085246243 631459151 /nfs/dbraw/zinc/45/91/51/631459151.db2.gz SLQNWIGISGWPDD-KWQFWETISA-N 1 0 223.272 0.322 10 0 BCAERO CN(C[C@H]1CC[N@H+](C)C1)C(=O)C(F)F ZINC000234383630 631489906 /nfs/dbraw/zinc/48/99/06/631489906.db2.gz HVBGZKBQKXSWCX-ZETCQYMHSA-N 1 0 206.236 0.662 10 0 BCAERO C[NH2+][C@@H](C)CNC(=O)C[C@H]1CCCCO1 ZINC000234418868 631512586 /nfs/dbraw/zinc/51/25/86/631512586.db2.gz XBRRHFDLASOFOF-VHSXEESVSA-N 1 0 214.309 0.670 10 0 BCAERO C[NH2+][C@@H](C)CNC(=O)c1cn(C)nc1C ZINC000234429778 631520531 /nfs/dbraw/zinc/52/05/31/631520531.db2.gz VSSDFSIQDXAYKG-ZETCQYMHSA-N 1 0 210.281 0.066 10 0 BCAERO C[NH2+][C@H](C)CNC(=O)C[C@@H]1CCCO1 ZINC000234427973 631521967 /nfs/dbraw/zinc/52/19/67/631521967.db2.gz CXHFREQDFRLYSM-BDAKNGLRSA-N 1 0 200.282 0.280 10 0 BCAERO C[NH2+][C@H](C)CNS(=O)(=O)c1ccccc1 ZINC000234440617 631527303 /nfs/dbraw/zinc/52/73/03/631527303.db2.gz LXXOBLUSNNIJLW-SECBINFHSA-N 1 0 228.317 0.573 10 0 BCAERO COC(=O)[C@@H](C)CN(C)C(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000234528808 631568644 /nfs/dbraw/zinc/56/86/44/631568644.db2.gz DMYGCEGFGGLTNN-KXUCPTDWSA-N 1 0 242.319 0.109 10 0 BCAERO COC(=O)/C(C)=C/C[NH2+][C@@H]1CCO[C@@H]1C ZINC000234527939 631568841 /nfs/dbraw/zinc/56/88/41/631568841.db2.gz GUCMGOFFXXTXNH-PSVJHUJZSA-N 1 0 213.277 0.873 10 0 BCAERO [NH3+]C[C@@H]1CN(c2nccc3occc32)CCO1 ZINC000236194987 631569094 /nfs/dbraw/zinc/56/90/94/631569094.db2.gz XHKISWLJFNLOFJ-SECBINFHSA-N 1 0 233.271 0.992 10 0 BCAERO COC(=O)[C@H](C)N(C)C[C@@H]1CCC[NH2+]C1 ZINC000234555168 631586674 /nfs/dbraw/zinc/58/66/74/631586674.db2.gz LEUBHRBWBJYHKB-VHSXEESVSA-N 1 0 214.309 0.479 10 0 BCAERO CSc1cncc(N2CC[NH2+]CC2)n1 ZINC000060142701 631641513 /nfs/dbraw/zinc/64/15/13/631641513.db2.gz CNAYGYNHWWCVNT-UHFFFAOYSA-N 1 0 210.306 0.608 10 0 BCAERO CC(C)[C@H]([NH3+])Cn1cc(S(C)(=O)=O)cn1 ZINC000725251639 631643181 /nfs/dbraw/zinc/64/31/81/631643181.db2.gz CXJLXVITYGALSU-SECBINFHSA-N 1 0 231.321 0.270 10 0 BCAERO CO[C@H](C)CC(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000158071745 631662711 /nfs/dbraw/zinc/66/27/11/631662711.db2.gz WGTFJPJNDCCNOQ-OPRDCNLKSA-N 1 0 214.309 0.655 10 0 BCAERO CN(C)c1cc(N(C)CCC[NH3+])ncn1 ZINC000258937475 631687460 /nfs/dbraw/zinc/68/74/60/631687460.db2.gz KGFYYVMTCAQJMD-UHFFFAOYSA-N 1 0 209.297 0.328 10 0 BCAERO [NH3+][C@@H](CO)C(=O)NCc1ccc(F)c(Cl)c1 ZINC000258962943 631692314 /nfs/dbraw/zinc/69/23/14/631692314.db2.gz OFFWLLPFFIYYOS-VIFPVBQESA-N 1 0 246.669 0.415 10 0 BCAERO Cn1cnc(C[NH2+][C@H]2CCC[C@@H](O)C2)c1 ZINC000308947209 631743386 /nfs/dbraw/zinc/74/33/86/631743386.db2.gz WONYVFIOHRWGLA-GXSJLCMTSA-N 1 0 209.293 0.813 10 0 BCAERO O=C(n1ccnc1)N1CC[NH+](CC2CC2)CC1 ZINC000108280362 631783314 /nfs/dbraw/zinc/78/33/14/631783314.db2.gz AMWXWTWAZZNQHF-UHFFFAOYSA-N 1 0 234.303 0.879 10 0 BCAERO CC(C)(F)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000308999063 631785727 /nfs/dbraw/zinc/78/57/27/631785727.db2.gz QUDPWZMRTZYRFX-CIUDSAMLSA-N 1 0 214.284 0.930 10 0 BCAERO Cc1nnc([C@@H](C)N2CC[NH2+]CC2)n1C ZINC000051658862 631843960 /nfs/dbraw/zinc/84/39/60/631843960.db2.gz NNLGJOKPZAUGRQ-MRVPVSSYSA-N 1 0 209.297 0.090 10 0 BCAERO C[C@H](NC(=O)C[C@@H]1C[NH2+]CCO1)[C@H]1CCCO1 ZINC000091299420 631893602 /nfs/dbraw/zinc/89/36/02/631893602.db2.gz UOOVSPYACBJVNR-HBNTYKKESA-N 1 0 242.319 0.049 10 0 BCAERO C[C@@H](NS(=O)(=O)[C@H]1CCC[NH2+]C1)C1CC1 ZINC000049643374 631899150 /nfs/dbraw/zinc/89/91/50/631899150.db2.gz PQIAEVANPISHAH-SCZZXKLOSA-N 1 0 232.349 0.456 10 0 BCAERO C[C@@H](NS(=O)(=O)[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000049643372 631900148 /nfs/dbraw/zinc/90/01/48/631900148.db2.gz PQIAEVANPISHAH-PSASIEDQSA-N 1 0 232.349 0.456 10 0 BCAERO C[C@H]([NH3+])CN(C)c1cnn(C)c(=O)c1Cl ZINC000308864584 631987319 /nfs/dbraw/zinc/98/73/19/631987319.db2.gz WLHMHCGEGCGLJG-LURJTMIESA-N 1 0 230.699 0.217 10 0 BCAERO C[NH2+][C@@](C)(Cn1nc(C)c(Cl)c1C)C(N)=O ZINC000050588210 632029545 /nfs/dbraw/zinc/02/95/45/632029545.db2.gz ZNWDNCCUHCWHHA-JTQLQIEISA-N 1 0 244.726 0.617 10 0 BCAERO C[C@@H]1OCC[C@H]1NC(=O)[C@@H]([NH3+])CC1CC1 ZINC000308874112 632042447 /nfs/dbraw/zinc/04/24/47/632042447.db2.gz UCPNBNIWSIEIKC-UJNFCWOMSA-N 1 0 212.293 0.407 10 0 BCAERO [NH3+]C1CC(CNC(=O)[C@H]2Cc3ccccc3O2)C1 ZINC000091524131 632049973 /nfs/dbraw/zinc/04/99/73/632049973.db2.gz WLJSNYFDTSCFMC-QEIKUCIBSA-N 1 0 246.310 0.844 10 0 BCAERO C[C@@H]1CN2CCCC[C@H]2C[N@@H+]1CC[S@](C)=O ZINC000252961125 635715804 /nfs/dbraw/zinc/71/58/04/635715804.db2.gz VBTVBDDXNRFTEI-WQGACYEGSA-N 1 0 244.404 0.924 10 0 BCAERO C[C@@H]1CN2CCCC[C@@H]2C[N@@H+]1CC[S@](C)=O ZINC000252961123 635716995 /nfs/dbraw/zinc/71/69/95/635716995.db2.gz VBTVBDDXNRFTEI-HSMVNMDESA-N 1 0 244.404 0.924 10 0 BCAERO COC[C@H](C)C(=O)N1CCC[C@H]1C[NH3+] ZINC000237231361 635787682 /nfs/dbraw/zinc/78/76/82/635787682.db2.gz WWDHXBCBQKMCEY-IUCAKERBSA-N 1 0 200.282 0.219 10 0 BCAERO COC[C@@H](C)[NH2+]C[C@H]1CC2(CC2)C(=O)O1 ZINC000308937418 632531898 /nfs/dbraw/zinc/53/18/98/632531898.db2.gz LFBVTHFKXQSZEX-RKDXNWHRSA-N 1 0 213.277 0.707 10 0 BCAERO COC[C@H](C)[NH2+]C[C@H]1CC2(CC2)C(=O)O1 ZINC000308937415 632532385 /nfs/dbraw/zinc/53/23/85/632532385.db2.gz LFBVTHFKXQSZEX-DTWKUNHWSA-N 1 0 213.277 0.707 10 0 BCAERO [NH3+][C@@H]1CCC[C@H](C(=O)NC[C@H]2CCC[C@H]2O)C1 ZINC000250668152 632544617 /nfs/dbraw/zinc/54/46/17/632544617.db2.gz SRYYGLUAFLGDLB-IRCOFANPSA-N 1 0 240.347 0.781 10 0 BCAERO Cc1nc(-c2noc(C[C@@H](C)[NH3+])n2)co1 ZINC000308942921 632554763 /nfs/dbraw/zinc/55/47/63/632554763.db2.gz FHVVBEDHIHHPQP-RXMQYKEDSA-N 1 0 208.221 0.923 10 0 BCAERO CC[N@@H+]1C[C@@H](C)[C@H](NCc2cnn(C)n2)C1 ZINC000309655775 632621549 /nfs/dbraw/zinc/62/15/49/632621549.db2.gz PSBXZIYBMQEGAE-MWLCHTKSSA-N 1 0 223.324 0.245 10 0 BCAERO CCN(CC)C(=O)C[C@H](C)[NH2+][C@H](C)[C@H](C)O ZINC000309958279 632686994 /nfs/dbraw/zinc/68/69/94/632686994.db2.gz JRVJREYEPDGNAU-AXFHLTTASA-N 1 0 230.352 0.992 10 0 BCAERO Cn1ccsc1=NC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000255778608 632737775 /nfs/dbraw/zinc/73/77/75/632737775.db2.gz SZHBMSZDUWFNPO-JGVFFNPUSA-N 1 0 225.317 0.641 10 0 BCAERO CS[C@H](C)C(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000193605258 632757684 /nfs/dbraw/zinc/75/76/84/632757684.db2.gz QGOSLCJRNGOEOS-DJLDLDEBSA-N 1 0 216.350 0.995 10 0 BCAERO C[N@@H+]1CC[C@@]2(CCN(C(=O)n3ccnc3)C2)C1 ZINC000310556440 632758042 /nfs/dbraw/zinc/75/80/42/632758042.db2.gz YNWTUNRTQRCANN-GFCCVEGCSA-N 1 0 234.303 0.879 10 0 BCAERO COC(=O)[C@](C)([NH3+])CCn1cnc(C)c1C ZINC000051928278 632764557 /nfs/dbraw/zinc/76/45/57/632764557.db2.gz MGCUNEQLPWNTGR-LLVKDONJSA-N 1 0 225.292 0.780 10 0 BCAERO Cc1cc(C)nc(N2C[C@H]([NH3+])[C@@H](C)C2)n1 ZINC000235703219 632818231 /nfs/dbraw/zinc/81/82/31/632818231.db2.gz SUXOHFVGCOKNRI-XVKPBYJWSA-N 1 0 206.293 0.877 10 0 BCAERO COCC[C@@H]([NH3+])C(=O)N[C@@H](C)C1CC1 ZINC000052791451 632896188 /nfs/dbraw/zinc/89/61/88/632896188.db2.gz XNDYCTVSQCAJSP-IONNQARKSA-N 1 0 200.282 0.265 10 0 BCAERO CC[C@H](NC(=O)[C@@H]([NH3+])CCOC)C(C)C ZINC000052810098 632900184 /nfs/dbraw/zinc/90/01/84/632900184.db2.gz CZNCUCMEJJUASK-UWVGGRQHSA-N 1 0 216.325 0.901 10 0 BCAERO CC(C)(C)OC[C@@H](O)C[NH2+][C@@H](CO)C1CC1 ZINC000309375181 632991292 /nfs/dbraw/zinc/99/12/92/632991292.db2.gz RCFBLRNKGGUMFE-QWRGUYRKSA-N 1 0 231.336 0.523 10 0 BCAERO CC(C)C[NH2+][C@H]1CCN(S(C)(=O)=O)C[C@@H]1C ZINC000393778197 632995852 /nfs/dbraw/zinc/99/58/52/632995852.db2.gz MBBZMZWGFDJQLP-QWRGUYRKSA-N 1 0 248.392 0.902 10 0 BCAERO CC(=O)c1cccc(NC(=O)[C@@H]([NH3+])CO)c1 ZINC000221613919 633005852 /nfs/dbraw/zinc/00/58/52/633005852.db2.gz ATJLDCCKFZSVDQ-JTQLQIEISA-N 1 0 222.244 0.147 10 0 BCAERO CCCCC[C@H](O)CC(=O)NC[C@@H](C)[NH3+] ZINC000309393743 633009239 /nfs/dbraw/zinc/00/92/39/633009239.db2.gz GFXZYPOIFLQEGH-ZJUUUORDSA-N 1 0 216.325 0.781 10 0 BCAERO CC[C@@](C)(O)C[N@@H+]1CCC2(C1)OCCO2 ZINC000161784845 633013538 /nfs/dbraw/zinc/01/35/38/633013538.db2.gz OQUCWQNAFPXMBN-SNVBAGLBSA-N 1 0 215.293 0.596 10 0 BCAERO CCN1C[C@H]([NH2+]Cc2cncnc2)[C@@H](C)C1 ZINC000309451259 633084696 /nfs/dbraw/zinc/08/46/96/633084696.db2.gz LFMABRYEBNQHCY-JQWIXIFHSA-N 1 0 220.320 0.906 10 0 BCAERO CC[N@H+](C)C[C@H](O)Cn1cc(N)c(C)n1 ZINC000704816586 633092912 /nfs/dbraw/zinc/09/29/12/633092912.db2.gz YNMQIBYIEPQQNG-VIFPVBQESA-N 1 0 212.297 0.086 10 0 BCAERO [NH3+]CC1CC(NS(=O)(=O)c2ccco2)C1 ZINC000309602738 633209813 /nfs/dbraw/zinc/20/98/13/633209813.db2.gz KKRVUMQMNVFVRU-UHFFFAOYSA-N 1 0 230.289 0.295 10 0 BCAERO CC[N@@H+]1CCC[C@@H](N2C(=O)[C@H](C)NC2=S)C1 ZINC000048843609 635933363 /nfs/dbraw/zinc/93/33/63/635933363.db2.gz XIPXVUJZDGFQOG-DTWKUNHWSA-N 1 0 241.360 0.576 10 0 BCAERO CC(F)(F)C(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000306410059 635965532 /nfs/dbraw/zinc/96/55/32/635965532.db2.gz MPTCUIKMDQVHNM-BQBZGAKWSA-N 1 0 206.236 0.885 10 0 BCAERO CC(C)CNC(=O)[C@H](C)N1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000232572316 636006769 /nfs/dbraw/zinc/00/67/69/636006769.db2.gz FVSSOUIHYGLAKM-VWYCJHECSA-N 1 0 227.352 0.426 10 0 BCAERO COC[C@@H](C)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000237158672 636011900 /nfs/dbraw/zinc/01/19/00/636011900.db2.gz HOJKXFVIINQWFM-VXNVDRBHSA-N 1 0 200.282 0.122 10 0 BCAERO C[NH+](C)[C@H]1CCN(C(=O)C(C)(C)F)C1 ZINC000307471450 635989260 /nfs/dbraw/zinc/98/92/60/635989260.db2.gz XMDPVKJSFXHYHL-QMMMGPOBSA-N 1 0 202.273 0.897 10 0 BCAERO C[C@H]1OCC[C@H]1[NH2+]CCC1OCCO1 ZINC000307665024 635992481 /nfs/dbraw/zinc/99/24/81/635992481.db2.gz ZWCWUSUTKRFESZ-RKDXNWHRSA-N 1 0 201.266 0.516 10 0 BCAERO C[C@@H]1[C@H](N(C)C)CC[N@@H+]1[C@@H]1CCC[C@H]1O ZINC000328386169 633759760 /nfs/dbraw/zinc/75/97/60/633759760.db2.gz MGBJCEOGKDYFSX-DDHJBXDOSA-N 1 0 212.337 0.924 10 0 BCAERO CCN1CCO[C@H](C[NH2+]Cc2cnc[nH]2)C1 ZINC000122785526 633857269 /nfs/dbraw/zinc/85/72/69/633857269.db2.gz ABNINXXTTCVQKE-LLVKDONJSA-N 1 0 224.308 0.220 10 0 BCAERO CCCc1ccccc1NC(=O)[C@@H]([NH3+])CO ZINC000309231722 633872713 /nfs/dbraw/zinc/87/27/13/633872713.db2.gz XRUZFGHXNXOFDD-JTQLQIEISA-N 1 0 222.288 0.897 10 0 BCAERO CC[C@@H](C)CS(=O)(=O)NC1CC(C[NH3+])C1 ZINC000309458254 633921979 /nfs/dbraw/zinc/92/19/79/633921979.db2.gz OCVJOBZVWABPOZ-XNWIYYODSA-N 1 0 234.365 0.689 10 0 BCAERO C[C@H](O)[C@H](C)[NH2+]Cc1cnc2cnccn12 ZINC000309943003 633967258 /nfs/dbraw/zinc/96/72/58/633967258.db2.gz CITCOKQIGFHOBL-IUCAKERBSA-N 1 0 220.276 0.588 10 0 BCAERO C[C@@H](NC(=O)C1CC[NH2+]CC1)[C@H]1CCCO1 ZINC000035735003 634078859 /nfs/dbraw/zinc/07/88/59/634078859.db2.gz JSVZLTWYCUBRNX-MWLCHTKSSA-N 1 0 226.320 0.670 10 0 BCAERO C[C@@H](NC(=O)[C@@H]1CCC[NH2+]C1)[C@@H]1CCCO1 ZINC000035734997 634079510 /nfs/dbraw/zinc/07/95/10/634079510.db2.gz CZGHJLKXGWPKDJ-MXWKQRLJSA-N 1 0 226.320 0.670 10 0 BCAERO CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H](C[NH3+])C1 ZINC000082347423 634215961 /nfs/dbraw/zinc/21/59/61/634215961.db2.gz RIMYCVANDMMPSG-DTWKUNHWSA-N 1 0 230.308 0.563 10 0 BCAERO CC(C)(C)[NH2+]CCC(=O)N1CC[C@H](CCO)C1 ZINC000123241088 634228970 /nfs/dbraw/zinc/22/89/70/634228970.db2.gz PNCYECDLYTYEFO-LLVKDONJSA-N 1 0 242.363 0.996 10 0 BCAERO COC(=O)N[C@H](CC(C)C)C(=O)NC[C@H](C)[NH3+] ZINC000194917165 634339228 /nfs/dbraw/zinc/33/92/28/634339228.db2.gz UFUDPPAZDKRZMI-DTWKUNHWSA-N 1 0 245.323 0.221 10 0 BCAERO COC(=O)N[C@H](CC(C)C)C(=O)NC[C@@H](C)[NH3+] ZINC000194917138 634340574 /nfs/dbraw/zinc/34/05/74/634340574.db2.gz UFUDPPAZDKRZMI-RKDXNWHRSA-N 1 0 245.323 0.221 10 0 BCAERO C1C[NH2+][C@H](c2nc([C@H]3CN4CCN3CC4)no2)C1 ZINC000094506035 635363521 /nfs/dbraw/zinc/36/35/21/635363521.db2.gz AJTXXRWVQZGBJU-VHSXEESVSA-N 1 0 249.318 0.166 10 0 BCAERO C[C@H]1CN(C(=S)NCC[NH+](C)C)C[C@H](C)O1 ZINC000047582856 635755030 /nfs/dbraw/zinc/75/50/30/635755030.db2.gz UKYAMMAEXPRTIP-UWVGGRQHSA-N 1 0 245.392 0.532 10 0 BCAERO C[NH2+]CCNS(=O)(=O)/C=C/c1ccccc1 ZINC000054244649 636245053 /nfs/dbraw/zinc/24/50/53/636245053.db2.gz VLRDWZHZXCOCDW-JXMROGBWSA-N 1 0 240.328 0.796 10 0 BCAERO Cc1nsc(NCCN2CCC([NH3+])CC2)n1 ZINC000321424481 636647045 /nfs/dbraw/zinc/64/70/45/636647045.db2.gz VYYIOCTXIFTSHK-UHFFFAOYSA-N 1 0 241.364 0.682 10 0 BCAERO C[C@H]1[N@H+](Cc2ccccc2)CC[C@@]1(N)CC(N)=O ZINC000211633803 636712345 /nfs/dbraw/zinc/71/23/45/636712345.db2.gz YUUOWUSRZOHSIA-BXUZGUMPSA-N 1 0 247.342 0.854 10 0 BCAERO Cn1cc(CNC(=O)[C@@H]2CC[C@H]([NH3+])C2)cn1 ZINC000085012007 636875330 /nfs/dbraw/zinc/87/53/30/636875330.db2.gz SAONZVQHNSLKHM-ZJUUUORDSA-N 1 0 222.292 0.164 10 0 BCAERO CCON1CCC([NH2+]CC2CC(O)C2)CC1 ZINC000323371483 636925483 /nfs/dbraw/zinc/92/54/83/636925483.db2.gz NDHUNCNHNCGUOX-UHFFFAOYSA-N 1 0 228.336 0.763 10 0 BCAERO CCON1CCC([NH2+][C@H](C)[C@H](C)O)CC1 ZINC000323387946 636926124 /nfs/dbraw/zinc/92/61/24/636926124.db2.gz QWZRDCTXRCUNKJ-ZJUUUORDSA-N 1 0 216.325 0.761 10 0 BCAERO CCCc1nc(CN2CC[NH2+]CC2)n(C)n1 ZINC000054697234 640305095 /nfs/dbraw/zinc/30/50/95/640305095.db2.gz NOBHALUDBLYMRW-UHFFFAOYSA-N 1 0 223.324 0.173 10 0 BCAERO C[C@@H](O)[C@H]([NH3+])c1nc(C2CCCC2)nn1C ZINC000054699198 640320935 /nfs/dbraw/zinc/32/09/35/640320935.db2.gz AJTJWWWDOKXNCL-APPZFPTMSA-N 1 0 224.308 0.853 10 0 BCAERO C[C@H]([NH3+])CN(C)c1ncncc1Cl ZINC000163762753 640413740 /nfs/dbraw/zinc/41/37/40/640413740.db2.gz CDSQEQWXMDNYJJ-LURJTMIESA-N 1 0 200.673 0.913 10 0 BCAERO C[C@H](NC(=O)C1(C[NH3+])CCOCC1)C1CC1 ZINC000044762666 640461405 /nfs/dbraw/zinc/46/14/05/640461405.db2.gz DCGZOEUUIRDWNI-VIFPVBQESA-N 1 0 226.320 0.657 10 0 BCAERO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)n1ccnc1 ZINC000044727495 640462561 /nfs/dbraw/zinc/46/25/61/640462561.db2.gz UJHPXQMLEVCKRT-VIFPVBQESA-N 1 0 220.276 0.678 10 0 BCAERO C[C@H](C[NH3+])C(=O)N(C)C[C@H]1CCCO1 ZINC000044804618 640465775 /nfs/dbraw/zinc/46/57/75/640465775.db2.gz DCUDKFJNPZVNFW-RKDXNWHRSA-N 1 0 200.282 0.219 10 0 BCAERO CONC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000156665676 640479590 /nfs/dbraw/zinc/47/95/90/640479590.db2.gz MPZYJQGWMNCXLK-BDAKNGLRSA-N 1 0 215.297 0.576 10 0 BCAERO CCn1ccc(C(=O)N[C@H]2C[NH+]3CCC2CC3)n1 ZINC000222540770 640491686 /nfs/dbraw/zinc/49/16/86/640491686.db2.gz RTMYVULPBRVCHU-LBPRGKRZSA-N 1 0 248.330 0.727 10 0 BCAERO Cc1cc(C(=O)N[C@@H]2C[NH+]3CCC2CC3)on1 ZINC000222555032 640492918 /nfs/dbraw/zinc/49/29/18/640492918.db2.gz YZKGDVWWBPAYIT-SNVBAGLBSA-N 1 0 235.287 0.807 10 0 BCAERO O=C(N[C@@H]1C[NH+]2CCC1CC2)C1CCC1 ZINC000222588862 640493667 /nfs/dbraw/zinc/49/36/67/640493667.db2.gz FZWPIZXKSHBBPF-LLVKDONJSA-N 1 0 208.305 0.997 10 0 BCAERO CCn1nccc1[C@@H]1C[NH2+]C[C@H]1C(=O)OC ZINC000164959386 640522513 /nfs/dbraw/zinc/52/25/13/640522513.db2.gz CTGSIUHVRIULMQ-RKDXNWHRSA-N 1 0 223.276 0.379 10 0 BCAERO [NH3+][C@@H]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[C@@H](O)C1 ZINC000223382650 640555527 /nfs/dbraw/zinc/55/55/27/640555527.db2.gz LDVQPGSNXUGRJA-WISYIIOYSA-N 1 0 240.347 0.924 10 0 BCAERO Cc1nccn1CCCC[C@@](C)([NH3+])C(N)=O ZINC000045432502 640556337 /nfs/dbraw/zinc/55/63/37/640556337.db2.gz MVRRQEXLISPETG-LLVKDONJSA-N 1 0 224.308 0.565 10 0 BCAERO C[NH2+][C@](C)(CCCn1cc(C)cn1)C(N)=O ZINC000045436110 640556497 /nfs/dbraw/zinc/55/64/97/640556497.db2.gz BOHJIYLRYVDVCK-LLVKDONJSA-N 1 0 224.308 0.435 10 0 BCAERO CCC[NH2+][C@H](Cn1nc(C)cc1C)C(N)=O ZINC000045433597 640557285 /nfs/dbraw/zinc/55/72/85/640557285.db2.gz WGOWTLNVFIOBGX-SNVBAGLBSA-N 1 0 224.308 0.353 10 0 BCAERO C[NH2+][C@](C)(CCCn1cc(Cl)cn1)C(N)=O ZINC000045436631 640559261 /nfs/dbraw/zinc/55/92/61/640559261.db2.gz HMYCJRLOZCMEHN-SNVBAGLBSA-N 1 0 244.726 0.780 10 0 BCAERO C[C@@]([NH3+])(Cn1ccc(C(F)(F)F)n1)C(N)=O ZINC000045460034 640567152 /nfs/dbraw/zinc/56/71/52/640567152.db2.gz PPQKTRNWVJLXGW-SSDOTTSWSA-N 1 0 236.197 0.105 10 0 BCAERO Cc1nc(N2CC[C@@H]([NH+](C)C)C2)cc(=O)[nH]1 ZINC000165412853 640576176 /nfs/dbraw/zinc/57/61/76/640576176.db2.gz XMJQFJLQKMPFEB-SECBINFHSA-N 1 0 222.292 0.631 10 0 BCAERO Cn1nc(C(C)(C)C)nc1[C@@H]([NH3+])CCO ZINC000054698626 640711391 /nfs/dbraw/zinc/71/13/91/640711391.db2.gz XZCMJFUGTBLFKO-ZETCQYMHSA-N 1 0 212.297 0.495 10 0 BCAERO C[C@@H]([NH3+])CC(=O)N1CCC([C@H](C)O)CC1 ZINC000226333033 640748460 /nfs/dbraw/zinc/74/84/60/640748460.db2.gz PDNKZRAUNZDDBT-BDAKNGLRSA-N 1 0 214.309 0.343 10 0 BCAERO C[C@H]1OCC[C@@H]1NC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000226449895 640764294 /nfs/dbraw/zinc/76/42/94/640764294.db2.gz HLUDHTQXYLKRKF-DBIOUOCHSA-N 1 0 226.320 0.798 10 0 BCAERO C[C@@H]1OCC[C@H]1NC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000226449904 640764438 /nfs/dbraw/zinc/76/44/38/640764438.db2.gz HLUDHTQXYLKRKF-LNFKQOIKSA-N 1 0 226.320 0.798 10 0 BCAERO COC(=O)C[C@H]([NH3+])[C@@H](C)NC(=O)OC(C)(C)C ZINC000059161503 640790398 /nfs/dbraw/zinc/79/03/98/640790398.db2.gz GBBZCMKBIPHMJB-SFYZADRCSA-N 1 0 246.307 0.790 10 0 BCAERO OCCCCCC[N@@H+]1CCO[C@H](CO)C1 ZINC000226839792 640801857 /nfs/dbraw/zinc/80/18/57/640801857.db2.gz VBXFSBXVEWCJDX-NSHDSACASA-N 1 0 217.309 0.232 10 0 BCAERO C[C@@H]([NH3+])CC(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000226928465 640803601 /nfs/dbraw/zinc/80/36/01/640803601.db2.gz OAQIDLXIPLIIEF-MXWKQRLJSA-N 1 0 226.320 0.894 10 0 BCAERO NC(=O)c1cc(NC[C@H]2CC[C@@H]([NH3+])C2)ccn1 ZINC000227649574 640844339 /nfs/dbraw/zinc/84/43/39/640844339.db2.gz DMCRRTWVPGJACU-DTWKUNHWSA-N 1 0 234.303 0.720 10 0 BCAERO CCCCOC[C@H](O)CN1CCC([NH2+]C)CC1 ZINC000227882997 640852470 /nfs/dbraw/zinc/85/24/70/640852470.db2.gz ZVLQVEUDNRENCW-CYBMUJFWSA-N 1 0 244.379 0.848 10 0 BCAERO [NH3+][C@@H]1CC[C@@H](C(=O)NC[C@@H](O)c2ccccc2)C1 ZINC000227875187 640852502 /nfs/dbraw/zinc/85/25/02/640852502.db2.gz BVUUARHXCGWOBW-JHJVBQTASA-N 1 0 248.326 0.964 10 0 BCAERO CCCCOC[C@H](O)C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000227910232 640853829 /nfs/dbraw/zinc/85/38/29/640853829.db2.gz TXCVMVKMLVCJPV-QWHCGFSZSA-N 1 0 244.379 0.835 10 0 BCAERO COC(=O)[C@@H]1C[N@H+](CC[C@@H](C)O)C[C@@H]1C ZINC000228000975 640854971 /nfs/dbraw/zinc/85/49/71/640854971.db2.gz ARMMMUFZASIHLL-IVZWLZJFSA-N 1 0 215.293 0.498 10 0 BCAERO CCN(CC)C(=O)CNC(=O)C[C@H]([NH3+])C(C)C ZINC000228818727 640898342 /nfs/dbraw/zinc/89/83/42/640898342.db2.gz NEMGMVPXQTUMPN-JTQLQIEISA-N 1 0 243.351 0.344 10 0 BCAERO Cc1nc(N2C[C@H]([NH+](C)C)[C@@H](C)C2)cc(=O)[nH]1 ZINC000229198232 640933030 /nfs/dbraw/zinc/93/30/30/640933030.db2.gz LBWHACUAAUVBSB-WPRPVWTQSA-N 1 0 236.319 0.877 10 0 BCAERO Cc1nnc2c(N[C@@H]3CCC[NH2+][C@H]3C)nccn12 ZINC000229610546 640968709 /nfs/dbraw/zinc/96/87/09/640968709.db2.gz SDAHESMTDYCASA-WCBMZHEXSA-N 1 0 246.318 0.985 10 0 BCAERO O=S1(=O)CC[C@H]([NH2+][C@@H]2CCCC[C@H]2O)C1 ZINC000229606675 640968792 /nfs/dbraw/zinc/96/87/92/640968792.db2.gz PASRDTNNGPUJPV-IVZWLZJFSA-N 1 0 233.333 0.067 10 0 BCAERO C[C@@H]1COCCN1C(=O)[C@@H](C[NH3+])c1ccccc1 ZINC000061611361 640977388 /nfs/dbraw/zinc/97/73/88/640977388.db2.gz PRQPZJIEDZHWRG-YPMHNXCESA-N 1 0 248.326 0.976 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@@H]1NS(=O)(=O)N1CCCC1 ZINC000061884007 641002804 /nfs/dbraw/zinc/00/28/04/641002804.db2.gz UAMIYYZPTPYDNS-UWVGGRQHSA-N 1 0 247.364 0.044 10 0 BCAERO CCCCS(=O)(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000061883939 641003481 /nfs/dbraw/zinc/00/34/81/641003481.db2.gz XXRKWUNRDULVCY-UWVGGRQHSA-N 1 0 234.365 0.833 10 0 BCAERO CCCCS(=O)(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000061883937 641003581 /nfs/dbraw/zinc/00/35/81/641003581.db2.gz XXRKWUNRDULVCY-VHSXEESVSA-N 1 0 234.365 0.833 10 0 BCAERO CCc1csc(N2CCO[C@@H](C[NH3+])C2)n1 ZINC000061894214 641004851 /nfs/dbraw/zinc/00/48/51/641004851.db2.gz TULMDAVANVHCLV-VIFPVBQESA-N 1 0 227.333 0.869 10 0 BCAERO C[C@H]1CN(c2cnc(CO)cn2)C[C@@H]1[NH+](C)C ZINC000230082698 641018295 /nfs/dbraw/zinc/01/82/95/641018295.db2.gz BZEPZUQOTJLMGA-ONGXEEELSA-N 1 0 236.319 0.355 10 0 BCAERO COc1ncc(Cl)c(N2CC[C@H](C[NH3+])C2)n1 ZINC000087799134 641048515 /nfs/dbraw/zinc/04/85/15/641048515.db2.gz SHQYOSSUMYHKFA-SSDOTTSWSA-N 1 0 242.710 0.924 10 0 BCAERO COC(=O)[C@@H]([NH3+])CCn1cnc(C)c1C ZINC000062538715 641056961 /nfs/dbraw/zinc/05/69/61/641056961.db2.gz SUDJUJJWCVJEKX-VIFPVBQESA-N 1 0 211.265 0.390 10 0 BCAERO CCC[NH2+][C@@H](CCn1ccnc1)C(N)=O ZINC000062534868 641057815 /nfs/dbraw/zinc/05/78/15/641057815.db2.gz WVGNATZAPLUGID-VIFPVBQESA-N 1 0 210.281 0.127 10 0 BCAERO COC(=O)[C@H]([NH3+])CCn1cc(Cl)cn1 ZINC000062536216 641058966 /nfs/dbraw/zinc/05/89/66/641058966.db2.gz IYXZUVNPKRQZPY-SSDOTTSWSA-N 1 0 217.656 0.427 10 0 BCAERO CCc1nccn1CC[C@H]([NH3+])C(=O)OC ZINC000062537414 641059597 /nfs/dbraw/zinc/05/95/97/641059597.db2.gz ILBQMAYRRZVJJM-QMMMGPOBSA-N 1 0 211.265 0.336 10 0 BCAERO Cc1cnn(CC[C@@H]([NH2+]C2CC2)C(N)=O)c1 ZINC000062535979 641059975 /nfs/dbraw/zinc/05/99/75/641059975.db2.gz HSGYSUQQTNLRQY-SNVBAGLBSA-N 1 0 222.292 0.188 10 0 BCAERO CCC[NH2+][C@@H](CCn1cc(Cl)cn1)C(N)=O ZINC000062536090 641060343 /nfs/dbraw/zinc/06/03/43/641060343.db2.gz KXXQXHKMDJBIOW-VIFPVBQESA-N 1 0 244.726 0.780 10 0 BCAERO CCN(CC)C(=O)[C@@H](C)OC1C[NH2+]C1 ZINC000062809813 641093290 /nfs/dbraw/zinc/09/32/90/641093290.db2.gz SWVJSJQIKDDTOD-MRVPVSSYSA-N 1 0 200.282 0.232 10 0 BCAERO CCC[C@@H](C)NC(=O)COC1C[NH2+]C1 ZINC000062809988 641095112 /nfs/dbraw/zinc/09/51/12/641095112.db2.gz NEFUIZWOSNWQNF-MRVPVSSYSA-N 1 0 200.282 0.280 10 0 BCAERO CN(C[C@H]1CCCO1)C(=O)[C@]1(C)CC[NH2+]C1 ZINC000062901269 641104978 /nfs/dbraw/zinc/10/49/78/641104978.db2.gz SPYJYYOFTBZLBG-ZYHUDNBSSA-N 1 0 226.320 0.623 10 0 BCAERO CCC[C@@](C)([NH3+])C(=O)N[C@@H](C(N)=O)C(C)C ZINC000231046393 641131698 /nfs/dbraw/zinc/13/16/98/641131698.db2.gz YVXLDNAVFVRUDA-LDYMZIIASA-N 1 0 229.324 0.130 10 0 BCAERO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)[C@@H]1CCCO1 ZINC000063193581 641143279 /nfs/dbraw/zinc/14/32/79/641143279.db2.gz JGTUAUMPLLTPHU-VWYCJHECSA-N 1 0 226.320 0.894 10 0 BCAERO C[C@@H]([NH3+])CCNC(=O)[C@H](O)c1ccccc1 ZINC000063169959 641143413 /nfs/dbraw/zinc/14/34/13/641143413.db2.gz BZAMDAIVMCLRRD-MWLCHTKSSA-N 1 0 222.288 0.574 10 0 BCAERO CN(Cc1cnc(N)cn1)C[C@@H]1CC[N@H+](C)C1 ZINC000231299752 641157810 /nfs/dbraw/zinc/15/78/10/641157810.db2.gz YRFJFTPTBVYDJR-SNVBAGLBSA-N 1 0 235.335 0.442 10 0 BCAERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1cnc(N)cn1 ZINC000231301119 641159813 /nfs/dbraw/zinc/15/98/13/641159813.db2.gz FPMBNYXNNKROMA-LBPRGKRZSA-N 1 0 249.362 0.975 10 0 BCAERO C[C@]([NH3+])(Cn1ncc2ccccc21)C(N)=O ZINC000050528315 641176971 /nfs/dbraw/zinc/17/69/71/641176971.db2.gz BEUWAGNVDYOBFM-NSHDSACASA-N 1 0 218.260 0.239 10 0 BCAERO CO[C@H](C[NH3+])CC(=O)N[C@H](C)[C@@H]1CCCO1 ZINC000232112179 641246917 /nfs/dbraw/zinc/24/69/17/641246917.db2.gz UYDLFDDJQBGNAJ-UTLUCORTSA-N 1 0 230.308 0.034 10 0 BCAERO CC(C)CNC(=O)CN1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000232595956 641304664 /nfs/dbraw/zinc/30/46/64/641304664.db2.gz YHMVTSCPPAVKDZ-ZJUUUORDSA-N 1 0 213.325 0.038 10 0 BCAERO CC(C)OC(=O)CNC(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000312262768 641388934 /nfs/dbraw/zinc/38/89/34/641388934.db2.gz AGXFXMBTCCUVDN-NXEZZACHSA-N 1 0 242.319 0.442 10 0 BCAERO CC(C)OC(=O)CNC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000312276892 641390733 /nfs/dbraw/zinc/39/07/33/641390733.db2.gz QBULNNJRLLLUAR-VHSXEESVSA-N 1 0 242.319 0.429 10 0 BCAERO CC(C)OC(=O)CNC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000312276889 641390910 /nfs/dbraw/zinc/39/09/10/641390910.db2.gz QBULNNJRLLLUAR-UWVGGRQHSA-N 1 0 242.319 0.429 10 0 BCAERO Cc1nnc2c(N[C@@H]3CCC[C@@H]3C[NH3+])nccn12 ZINC000089092198 641427769 /nfs/dbraw/zinc/42/77/69/641427769.db2.gz NHIMEJJFDASVDJ-NXEZZACHSA-N 1 0 246.318 0.972 10 0 BCAERO CC[NH+](CC)[C@@H](C)CNC(=O)C1=COCCO1 ZINC000041912025 641547322 /nfs/dbraw/zinc/54/73/22/641547322.db2.gz KVIKPAQENCGIOR-JTQLQIEISA-N 1 0 242.319 0.721 10 0 BCAERO C[C@H]1CN(C(=O)C(C)(C)C[NH3+])CCS1 ZINC000155687444 641578652 /nfs/dbraw/zinc/57/86/52/641578652.db2.gz AWRRORPPMVKKDE-QMMMGPOBSA-N 1 0 216.350 0.935 10 0 BCAERO CCCOCC(=O)N1CCC[C@H]([NH3+])C1 ZINC000157993179 641625058 /nfs/dbraw/zinc/62/50/58/641625058.db2.gz HXVJPCMBVADBCY-VIFPVBQESA-N 1 0 200.282 0.363 10 0 BCAERO CCS(=O)(=O)c1ccccc1NCC[NH3+] ZINC000035348463 641633247 /nfs/dbraw/zinc/63/32/47/641633247.db2.gz SDTVFAORCVKKHJ-UHFFFAOYSA-N 1 0 228.317 0.851 10 0 BCAERO C[C@H](Cc1ccccc1)C(=O)NCC[NH3+] ZINC000158734048 641649050 /nfs/dbraw/zinc/64/90/50/641649050.db2.gz DPNCULIBEVCSQZ-SNVBAGLBSA-N 1 0 206.289 0.940 10 0 BCAERO CC(C)S(=O)(=O)CC[NH2+][C@@H]1CCCC[C@H]1O ZINC000232797937 641677028 /nfs/dbraw/zinc/67/70/28/641677028.db2.gz QLNFNAKYKXJHJP-GHMZBOCLSA-N 1 0 249.376 0.703 10 0 BCAERO C[C@@H](C(N)=O)[N@H+](C)Cc1cccc(N)c1 ZINC000035360018 641759418 /nfs/dbraw/zinc/75/94/18/641759418.db2.gz BGPYJGXPITYQLY-QMMMGPOBSA-N 1 0 207.277 0.574 10 0 BCAERO CCOC(=O)[C@H](C)NC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089460539 641777963 /nfs/dbraw/zinc/77/79/63/641777963.db2.gz AGDFFRBWHBSWHS-AEJSXWLSSA-N 1 0 242.319 0.429 10 0 BCAERO Cn1c(N2CC[NH2+]CC2)nc2cccnc21 ZINC000075951457 641784313 /nfs/dbraw/zinc/78/43/13/641784313.db2.gz UWDIYEHBSOYRNV-UHFFFAOYSA-N 1 0 217.276 0.378 10 0 BCAERO COC(C[N@@H+]1C[C@@H](C)[C@H](CO)C1)OC ZINC000190854336 641891078 /nfs/dbraw/zinc/89/10/78/641891078.db2.gz BRLLJKFCUHQWSY-BDAKNGLRSA-N 1 0 203.282 0.166 10 0 BCAERO C[C@@H]1CN(C(=O)C(F)(F)F)C[C@H]1[NH+](C)C ZINC000089710306 642007880 /nfs/dbraw/zinc/00/78/80/642007880.db2.gz AVECGLLHUZIEER-RNFRBKRXSA-N 1 0 224.226 0.957 10 0 BCAERO CONC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000247324171 642352480 /nfs/dbraw/zinc/35/24/80/642352480.db2.gz MPZYJQGWMNCXLK-DTWKUNHWSA-N 1 0 215.297 0.576 10 0 BCAERO COC(=O)CC[N@@H+]1CCC[C@@H](C(C)=O)C1 ZINC000068959532 642382370 /nfs/dbraw/zinc/38/23/70/642382370.db2.gz TYCIPNNEDJDQHU-SNVBAGLBSA-N 1 0 213.277 0.851 10 0 BCAERO [NH3+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCCCO1 ZINC000050970928 642436848 /nfs/dbraw/zinc/43/68/48/642436848.db2.gz OAVVCKFAXFBTSD-QWRGUYRKSA-N 1 0 226.320 0.895 10 0 BCAERO C[C@H]1CN(c2cc(=O)[nH]cn2)C[C@H]1[NH+](C)C ZINC000253627615 642672611 /nfs/dbraw/zinc/67/26/11/642672611.db2.gz GKWSHNCXPSPHSF-DTWKUNHWSA-N 1 0 222.292 0.569 10 0 BCAERO CCS(=O)(=O)CCNC[C@@H]1CCC[NH2+]C1 ZINC000233823088 642700023 /nfs/dbraw/zinc/70/00/23/642700023.db2.gz MYAOLAJOYDVRQG-SNVBAGLBSA-N 1 0 234.365 0.010 10 0 BCAERO C[C@H]1COC[C@H](C)N1C(=O)CC1([NH3+])CCC1 ZINC000237635650 642726764 /nfs/dbraw/zinc/72/67/64/642726764.db2.gz SVBHIZYKDDLUIR-UWVGGRQHSA-N 1 0 226.320 0.894 10 0 BCAERO CC[NH2+][C@](Cn1cccn1)(C(N)=O)C1CC1 ZINC000068943130 642813255 /nfs/dbraw/zinc/81/32/55/642813255.db2.gz HIQUZHWGBHOBNM-NSHDSACASA-N 1 0 222.292 0.127 10 0 BCAERO COC(=O)[C@@H]1C[N@H+](C[C@H](C)O)C[C@@H]1C ZINC000251783091 642883790 /nfs/dbraw/zinc/88/37/90/642883790.db2.gz NARGCSMOFHNIGA-XHNCKOQMSA-N 1 0 201.266 0.108 10 0 BCAERO CCCc1nccn1CC[C@@](C)([NH3+])C(N)=O ZINC000069964633 642945757 /nfs/dbraw/zinc/94/57/57/642945757.db2.gz RFDCDRLCPVCNFQ-LLVKDONJSA-N 1 0 224.308 0.428 10 0 BCAERO C[C@@H](NC(=O)[C@]1(C)CCC[NH2+]1)[C@H]1CCCO1 ZINC000070618756 643048805 /nfs/dbraw/zinc/04/88/05/643048805.db2.gz UXFUBGLVCSIOTJ-FOGDFJRCSA-N 1 0 226.320 0.812 10 0 BCAERO C[C@H]1CN(C(=O)[C@]2(C)CCC[NH2+]2)C[C@H](C)O1 ZINC000070618471 643052230 /nfs/dbraw/zinc/05/22/30/643052230.db2.gz OXPWRGCCLAFYTN-NHCYSSNCSA-N 1 0 226.320 0.764 10 0 BCAERO C[NH2+][C@@](C)(CCCn1ccc(C)n1)C(N)=O ZINC000070686280 643059610 /nfs/dbraw/zinc/05/96/10/643059610.db2.gz RTPCNQQMYFVQTC-NSHDSACASA-N 1 0 224.308 0.435 10 0 BCAERO Cc1ccnn1C[C@@](C)([NH2+]C(C)C)C(N)=O ZINC000070687166 643060342 /nfs/dbraw/zinc/06/03/42/643060342.db2.gz XPSQCEPFHMXABX-LLVKDONJSA-N 1 0 224.308 0.434 10 0 BCAERO Cc1ccnn1CCCC[C@@](C)([NH3+])C(N)=O ZINC000070687007 643061071 /nfs/dbraw/zinc/06/10/71/643061071.db2.gz IGFMLNPMPBIGTN-LLVKDONJSA-N 1 0 224.308 0.565 10 0 BCAERO CCN(c1nccc(OC)n1)[C@H]1CC[NH2+]C1 ZINC000070901229 643081473 /nfs/dbraw/zinc/08/14/73/643081473.db2.gz DAAFXJMLNLBCQT-VIFPVBQESA-N 1 0 222.292 0.673 10 0 BCAERO CC(C)OC[C@@H](O)CN1CCC[C@H]1C[NH3+] ZINC000252690884 643090788 /nfs/dbraw/zinc/09/07/88/643090788.db2.gz WGXASWAASUYBLT-QWRGUYRKSA-N 1 0 216.325 0.195 10 0 BCAERO C[C@H](C[C@@H]1COCCN1)[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000252954915 643147236 /nfs/dbraw/zinc/14/72/36/643147236.db2.gz IDYGZLLCOBWVJW-LPWJVIDDSA-N 1 0 242.363 0.911 10 0 BCAERO OC[C@H]1C[C@H](O)C[N@@H+]1CC1(O)CCCCC1 ZINC000184732852 643231489 /nfs/dbraw/zinc/23/14/89/643231489.db2.gz BBCQICOLAVXPMP-MNOVXSKESA-N 1 0 229.320 0.109 10 0 BCAERO CCOCCCC(=O)NC[C@H](C)[NH2+]C ZINC000233732670 643243474 /nfs/dbraw/zinc/24/34/74/643243474.db2.gz GPSRARRDDBPJEM-VIFPVBQESA-N 1 0 202.298 0.527 10 0 BCAERO CCCc1nccnc1N1CC[C@@H]1C[NH3+] ZINC000757141936 643303511 /nfs/dbraw/zinc/30/35/11/643303511.db2.gz GKOIXHBFCVLDOB-SECBINFHSA-N 1 0 206.293 0.967 10 0 BCAERO O=Cc1cc(CN2CC[NH2+]CC2)cs1 ZINC000082374158 643306281 /nfs/dbraw/zinc/30/62/81/643306281.db2.gz GUNDZYGBRPATKH-UHFFFAOYSA-N 1 0 210.302 0.966 10 0 BCAERO [NH3+]C[C@H]1CCN1Cc1cn2ccsc2n1 ZINC000757147289 643326840 /nfs/dbraw/zinc/32/68/40/643326840.db2.gz UBNXDPIHXOGXLL-SECBINFHSA-N 1 0 222.317 0.929 10 0 BCAERO CCN(C)S(=O)(=O)C[C@@H]([NH3+])CC(C)C ZINC000757154073 643346304 /nfs/dbraw/zinc/34/63/04/643346304.db2.gz VHEHNIKSIZUPAF-VIFPVBQESA-N 1 0 222.354 0.641 10 0 BCAERO COc1ccnc(NC[C@@H]([NH3+])C2CC2)n1 ZINC000082593840 643351758 /nfs/dbraw/zinc/35/17/58/643351758.db2.gz SAHDPGVSFIWTSS-MRVPVSSYSA-N 1 0 208.265 0.634 10 0 BCAERO O=C([O-])[C@@H]1C[NH2+]CC12C[C@H]1CC[C@@H](C2)[NH2+]1 ZINC000757183741 643359716 /nfs/dbraw/zinc/35/97/16/643359716.db2.gz GEMWNRWLBBIDSV-ZDFLMOLOSA-N 1 0 210.277 0.191 10 0 BCAERO CC(=O)[C@H]1CCC[N@H+](CCOCCO)C1 ZINC000082644544 643359778 /nfs/dbraw/zinc/35/97/78/643359778.db2.gz FTDJRNHQKSMGSF-NSHDSACASA-N 1 0 215.293 0.296 10 0 BCAERO COC(=O)[C@H](C[NH3+])C1CCC2(CC1)OCCO2 ZINC000757190730 643362860 /nfs/dbraw/zinc/36/28/60/643362860.db2.gz CNRXSNPFYOXEPK-SNVBAGLBSA-N 1 0 243.303 0.668 10 0 BCAERO N[C@H]1C[NH2+]CC[C@@H]1c1cccc(C=O)c1 ZINC000757211184 643371659 /nfs/dbraw/zinc/37/16/59/643371659.db2.gz GSKPYXQNVWLJOE-NEPJUHHUSA-N 1 0 204.273 0.903 10 0 BCAERO C[NH2+][C@](C)(C[C@H](C)n1ccc(C)n1)C(N)=O ZINC000082800593 643382141 /nfs/dbraw/zinc/38/21/41/643382141.db2.gz DSFDMMKIGXYZPH-GXSJLCMTSA-N 1 0 224.308 0.606 10 0 BCAERO Cc1ncn([C@H](C)C[C@](C)([NH3+])C(N)=O)c1C ZINC000082800572 643382607 /nfs/dbraw/zinc/38/26/07/643382607.db2.gz FRQBHTCMMAKIJY-HQJQHLMTSA-N 1 0 224.308 0.654 10 0 BCAERO C[NH2+][C@@](C)(C[C@H](C)n1ccc(C)n1)C(N)=O ZINC000082800591 643382659 /nfs/dbraw/zinc/38/26/59/643382659.db2.gz DSFDMMKIGXYZPH-ONGXEEELSA-N 1 0 224.308 0.606 10 0 BCAERO COC(=O)[C@H](C)NC(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000070502797 643386168 /nfs/dbraw/zinc/38/61/68/643386168.db2.gz IVJSWCJKLLDLQK-XHNCKOQMSA-N 1 0 228.292 0.182 10 0 BCAERO CCC[NH2+]CCNc1ccnc(N(C)C)n1 ZINC000082924372 643388014 /nfs/dbraw/zinc/38/80/14/643388014.db2.gz OAGQMRHHBXXJCC-UHFFFAOYSA-N 1 0 223.324 0.954 10 0 BCAERO CN(C)c1nccc(NC[C@@H]([NH3+])C2CC2)n1 ZINC000082924650 643389069 /nfs/dbraw/zinc/38/90/69/643389069.db2.gz UVWGMIMYHHIVEE-SECBINFHSA-N 1 0 221.308 0.692 10 0 BCAERO C[C@H](C[NH3+])C(=O)NC[C@H]1CCCC[C@@H]1O ZINC000082995210 643396694 /nfs/dbraw/zinc/39/66/94/643396694.db2.gz IAZJBKILCHYXEP-BBBLOLIVSA-N 1 0 214.309 0.249 10 0 BCAERO CC[NH2+][C@](Cn1ccnc1)(C(N)=O)C1CC1 ZINC000068943062 643432579 /nfs/dbraw/zinc/43/25/79/643432579.db2.gz SGIOASLBRUTWDD-NSHDSACASA-N 1 0 222.292 0.127 10 0 BCAERO C[NH2+][C@](Cn1ccnc1C)(C(N)=O)C1CC1 ZINC000068943099 643433626 /nfs/dbraw/zinc/43/36/26/643433626.db2.gz MDLSUWIAPANSEU-NSHDSACASA-N 1 0 222.292 0.045 10 0 BCAERO CCCc1nccn1CC[C@@H]([NH2+]C)C(N)=O ZINC000069964566 643451242 /nfs/dbraw/zinc/45/12/42/643451242.db2.gz QRZXCGLMLLUOSP-SECBINFHSA-N 1 0 224.308 0.299 10 0 BCAERO C[NH2+][C@](C)(CCCn1ccc(C)n1)C(N)=O ZINC000070686282 643465964 /nfs/dbraw/zinc/46/59/64/643465964.db2.gz RTPCNQQMYFVQTC-LLVKDONJSA-N 1 0 224.308 0.435 10 0 BCAERO CN1C[C@H](O)C[C@H]1C[NH2+]Cc1ccccc1 ZINC000307542991 643495583 /nfs/dbraw/zinc/49/55/83/643495583.db2.gz JMKMVIUCHCGZOZ-QWHCGFSZSA-N 1 0 220.316 0.841 10 0 BCAERO Cc1nn([C@@H](C)C[C@](C)([NH3+])C(N)=O)cc1Cl ZINC000082800599 643525367 /nfs/dbraw/zinc/52/53/67/643525367.db2.gz BSNJHSNMJJPUMT-WKEGUHRASA-N 1 0 244.726 0.999 10 0 BCAERO Cc1nc(N2CCO[C@H](C[NH3+])C2)sc1C ZINC000083532566 643584018 /nfs/dbraw/zinc/58/40/18/643584018.db2.gz CFNQTZQQLONXKO-SECBINFHSA-N 1 0 227.333 0.924 10 0 BCAERO C[NH2+]CCc1noc(CC[C@H]2CCCO2)n1 ZINC000083525221 643584552 /nfs/dbraw/zinc/58/45/52/643584552.db2.gz BAMKIVTYOKJRHD-SECBINFHSA-N 1 0 225.292 0.943 10 0 BCAERO CCc1nnsc1-c1nc(CC[NH2+]C)no1 ZINC000083582436 643589888 /nfs/dbraw/zinc/58/98/88/643589888.db2.gz GJYSEUPOSXCOLI-UHFFFAOYSA-N 1 0 239.304 0.912 10 0 BCAERO CCn1cc([C@@H]2C[NH2+]C[C@@H]2C(=O)OC)cn1 ZINC000234220110 643605233 /nfs/dbraw/zinc/60/52/33/643605233.db2.gz JUSRWPQSLJKOMQ-UWVGGRQHSA-N 1 0 223.276 0.379 10 0 BCAERO [NH3+]C[C@H]1CCCC[C@H]1C(=O)N1CCOCC1 ZINC000084301086 643657082 /nfs/dbraw/zinc/65/70/82/643657082.db2.gz NILHGKZANLTWFY-GHMZBOCLSA-N 1 0 226.320 0.610 10 0 BCAERO CC(C)C1(O)C[NH+]([C@@H]2CCCC[C@H]2O)C1 ZINC000084376859 643659390 /nfs/dbraw/zinc/65/93/90/643659390.db2.gz WLUZROAROMYPDX-GHMZBOCLSA-N 1 0 213.321 0.993 10 0 BCAERO CCn1ccnc(NCC2CC([NH3+])C2)c1=O ZINC000084447905 643664282 /nfs/dbraw/zinc/66/42/82/643664282.db2.gz TWCLKEYFCIDXBI-UHFFFAOYSA-N 1 0 222.292 0.412 10 0 BCAERO COCC[C@H](C)NC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000085013810 643680053 /nfs/dbraw/zinc/68/00/53/643680053.db2.gz RTHIYDMIZBJSOM-AEJSXWLSSA-N 1 0 214.309 0.655 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)N1CCCC1 ZINC000085960489 643865884 /nfs/dbraw/zinc/86/58/84/643865884.db2.gz SLFQFKNAVPACJI-VHSXEESVSA-N 1 0 211.309 0.919 10 0 BCAERO CCN1CCO[C@H](C[NH2+]C[C@H](O)C2CC2)C1 ZINC000086004699 643882807 /nfs/dbraw/zinc/88/28/07/643882807.db2.gz OCUNCPHAVWGQPG-NEPJUHHUSA-N 1 0 228.336 0.068 10 0 BCAERO COC(OC)[C@@H](C)[NH2+]Cc1cnn(C)c1C ZINC000086552121 644149188 /nfs/dbraw/zinc/14/91/88/644149188.db2.gz LNJAGUGZIILXKZ-MRVPVSSYSA-N 1 0 227.308 0.826 10 0 BCAERO CC[NH2+][C@@]1(C(N)=O)CC[C@@H](n2cccn2)C1 ZINC000086626733 644156512 /nfs/dbraw/zinc/15/65/12/644156512.db2.gz AVTOSWQUASJRKP-KOLCDFICSA-N 1 0 222.292 0.442 10 0 BCAERO Cc1ccn([C@H]2CCC[C@]([NH3+])(C(N)=O)C2)n1 ZINC000086604734 644156712 /nfs/dbraw/zinc/15/67/12/644156712.db2.gz UQABNDMANWZMPO-GXSJLCMTSA-N 1 0 222.292 0.489 10 0 BCAERO CCOC(=O)[C@@]1([NH3+])CC[C@@H](n2cccn2)C1 ZINC000086626787 644156734 /nfs/dbraw/zinc/15/67/34/644156734.db2.gz AZLRIHXUHOBVFJ-MWLCHTKSSA-N 1 0 223.276 0.869 10 0 BCAERO COC(=O)[C@]1([NH3+])CC[C@H](n2ccc(C)n2)C1 ZINC000086627228 644158195 /nfs/dbraw/zinc/15/81/95/644158195.db2.gz AFLMJNVCORYJOB-ONGXEEELSA-N 1 0 223.276 0.787 10 0 BCAERO c1ccc2c(c1)C[C@@H](CN[C@@H]1CC[NH2+]C1)O2 ZINC000086728894 644171553 /nfs/dbraw/zinc/17/15/53/644171553.db2.gz NVMZPDKQCOIPER-NEPJUHHUSA-N 1 0 218.300 0.942 10 0 BCAERO COc1cc(N2CC[C@H]([NH3+])[C@@H](C)C2)ncn1 ZINC000086887251 644256420 /nfs/dbraw/zinc/25/64/20/644256420.db2.gz FXMXHQWOHRKHEA-IUCAKERBSA-N 1 0 222.292 0.659 10 0 BCAERO C1[NH2+]CC1O[C@H]1CCO[C@]2(CCOC2)C1 ZINC000086905277 644274427 /nfs/dbraw/zinc/27/44/27/644274427.db2.gz WLKNQYVJPVBGGZ-GXSJLCMTSA-N 1 0 213.277 0.313 10 0 BCAERO O[C@@H](C[N@@H+]1CCN2CCCC[C@H]2C1)C1CC1 ZINC000086930238 644293462 /nfs/dbraw/zinc/29/34/62/644293462.db2.gz ZESLBAXDSJCKNY-STQMWFEESA-N 1 0 224.348 0.927 10 0 BCAERO O=C1C[C@@H](C[NH2+]CCc2ccccc2)CN1 ZINC000083007304 644398893 /nfs/dbraw/zinc/39/88/93/644398893.db2.gz HQRZWOZGVJVPFL-LBPRGKRZSA-N 1 0 218.300 0.955 10 0 BCAERO CC(C)[C@@H]([NH3+])C(=O)N[C@@H](C)[C@H]1CCCO1 ZINC000083891297 644411004 /nfs/dbraw/zinc/41/10/04/644411004.db2.gz NMHFVUMHHKEWPM-IVZWLZJFSA-N 1 0 214.309 0.653 10 0 BCAERO Cc1nc([C@H](C)NC(=O)CC[NH3+])cs1 ZINC000083884079 644411594 /nfs/dbraw/zinc/41/15/94/644411594.db2.gz DQMAKWAKAUQZTQ-LURJTMIESA-N 1 0 213.306 0.978 10 0 BCAERO CCOCC(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000085726972 644451526 /nfs/dbraw/zinc/45/15/26/644451526.db2.gz KRHKUTRXGHKYHB-DTWKUNHWSA-N 1 0 200.282 0.280 10 0 BCAERO O[C@@H](CN[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000086726310 644469260 /nfs/dbraw/zinc/46/92/60/644469260.db2.gz VETSREPHZUJCRF-RYUDHWBXSA-N 1 0 206.289 0.672 10 0 BCAERO Cc1ncccc1C(=O)NCC1CC([NH3+])C1 ZINC000087123758 644477859 /nfs/dbraw/zinc/47/78/59/644477859.db2.gz YLKXEEXOYPUXSS-UHFFFAOYSA-N 1 0 219.288 0.857 10 0 BCAERO C[C@@H]([NH3+])CN(C)c1ccc2nccnc2n1 ZINC000087202523 644482542 /nfs/dbraw/zinc/48/25/42/644482542.db2.gz RBSJRWVTCSTIKT-MRVPVSSYSA-N 1 0 217.276 0.808 10 0 BCAERO CCCCS(=O)(=O)NC[C@]12CC[C@H]1CC[NH2+]2 ZINC000685946146 644517793 /nfs/dbraw/zinc/51/77/93/644517793.db2.gz DELSVPFMKCOGDV-WDEREUQCSA-N 1 0 246.376 0.848 10 0 BCAERO [NH3+][C@H](C(=O)NC[C@H]1CCC[C@@H]1O)c1ccccc1 ZINC000089170050 644537861 /nfs/dbraw/zinc/53/78/61/644537861.db2.gz MZZITIYTNPEZOE-AGIUHOORSA-N 1 0 248.326 0.964 10 0 BCAERO CCOC(=O)CNC(=O)[C@H]1CCCC[C@@H]1C[NH3+] ZINC000089390335 644547962 /nfs/dbraw/zinc/54/79/62/644547962.db2.gz FOVCIPBJDCZNNE-ZJUUUORDSA-N 1 0 242.319 0.431 10 0 BCAERO COC(=O)CCNC(=O)[C@H]1CCCC[C@H]1C[NH3+] ZINC000089395820 644549012 /nfs/dbraw/zinc/54/90/12/644549012.db2.gz WZNQQCUHYUQOOP-UWVGGRQHSA-N 1 0 242.319 0.431 10 0 BCAERO CO[C@H](C)CC(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000246701068 644602438 /nfs/dbraw/zinc/60/24/38/644602438.db2.gz WGTFJPJNDCCNOQ-UTLUCORTSA-N 1 0 214.309 0.655 10 0 BCAERO C[C@@H](NC(=O)[C@@H](C)[C@H](C)[NH3+])[C@H]1CCCO1 ZINC000248487008 644682459 /nfs/dbraw/zinc/68/24/59/644682459.db2.gz LNXIMHWRBTZHPD-AXTSPUMRSA-N 1 0 214.309 0.653 10 0 BCAERO COc1ccc(Cc2noc(C[C@@H](C)[NH3+])n2)cn1 ZINC000094631129 644723354 /nfs/dbraw/zinc/72/33/54/644723354.db2.gz FOEQTWRWCMEZLZ-MRVPVSSYSA-N 1 0 248.286 0.954 10 0 BCAERO C[C@@H](NC(=O)N[C@H]1CCOC1)C1CC[NH2+]CC1 ZINC000094890507 644732545 /nfs/dbraw/zinc/73/25/45/644732545.db2.gz DHBXBIFPQUDNGL-KOLCDFICSA-N 1 0 241.335 0.463 10 0 BCAERO CNC(=O)CCC[N@@H+]1C[C@H](C)[C@@H](C(=O)OC)C1 ZINC000095019615 644736581 /nfs/dbraw/zinc/73/65/81/644736581.db2.gz HSSWRJKJTUIJHL-UWVGGRQHSA-N 1 0 242.319 0.254 10 0 BCAERO COC(=O)[C@H]1C[N@H+](Cc2ccc(N)nc2)C[C@H]1C ZINC000095022177 644739812 /nfs/dbraw/zinc/73/98/12/644739812.db2.gz OMUNGSUHRNJGAT-KOLCDFICSA-N 1 0 249.314 0.905 10 0 BCAERO CC(C)OC[C@H](O)CN1CCCC[C@H]1[C@H](C)[NH3+] ZINC000250581328 644766741 /nfs/dbraw/zinc/76/67/41/644766741.db2.gz JMILMWISPAMRHD-XQQFMLRXSA-N 1 0 244.379 0.974 10 0 BCAERO CC(=O)[C@@H]1CCC[N@@H+]([C@H](C)C(=O)NC2CC2)C1 ZINC000251018256 644790157 /nfs/dbraw/zinc/79/01/57/644790157.db2.gz BWIBZVZLUZQYDV-MWLCHTKSSA-N 1 0 238.331 0.955 10 0 BCAERO C[C@H](NC(=O)C[C@@H]([NH3+])C1CC1)[C@H]1CCCO1 ZINC000251493010 644805953 /nfs/dbraw/zinc/80/59/53/644805953.db2.gz GUXVBKBNDIZJJR-JMJZKYOTSA-N 1 0 226.320 0.798 10 0 BCAERO CC(C)(O)C[NH2+]C[C@H]1CN2CCC[C@H]2CO1 ZINC000252544551 644864648 /nfs/dbraw/zinc/86/46/48/644864648.db2.gz IICFAUMZYBDPBP-QWRGUYRKSA-N 1 0 228.336 0.210 10 0 BCAERO [NH3+][C@H](CC1CC1)C(=O)NC[C@H]1CCC[C@H]1O ZINC000304328106 644894141 /nfs/dbraw/zinc/89/41/41/644894141.db2.gz HCUSJCRHPYNVEN-GMTAPVOTSA-N 1 0 226.320 0.391 10 0 BCAERO C[C@@H]1CN(C(=O)[C@@H]([NH3+])CC2CC2)C[C@@H](C)O1 ZINC000304343462 644894863 /nfs/dbraw/zinc/89/48/63/644894863.db2.gz JFEDHRYQBJEALV-KKZNHRDASA-N 1 0 226.320 0.750 10 0 BCAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC[S@](C)=O ZINC000252933034 644925142 /nfs/dbraw/zinc/92/51/42/644925142.db2.gz CNUDXOHUCAOYQI-HSMVNMDESA-N 1 0 244.404 0.924 10 0 BCAERO C[S@@](=O)CCN1CC[N@@H+]2CCC[C@H]2C1 ZINC000252936023 644925161 /nfs/dbraw/zinc/92/51/61/644925161.db2.gz FUHAOSUJTLDZMQ-IINYFYTJSA-N 1 0 216.350 0.145 10 0 BCAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1CC[S@](C)=O ZINC000252948457 644926525 /nfs/dbraw/zinc/92/65/25/644926525.db2.gz NREPNBHULCQOBL-ZETOZRRWSA-N 1 0 230.377 0.533 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)COC1CC1 ZINC000717662351 711607798 /nfs/dbraw/zinc/60/77/98/711607798.db2.gz AIBHVOOIDRLUGD-WPRPVWTQSA-N 1 0 212.293 0.409 10 0 BCAERO C[C@@H]1[C@H]([NH3+])CCN1S(=O)(=O)c1ccns1 ZINC000717735988 711616490 /nfs/dbraw/zinc/61/64/90/711616490.db2.gz MOKPDGLJHICAAZ-RNFRBKRXSA-N 1 0 247.345 0.253 10 0 BCAERO O[C@@H]1CCCC[C@H]1[NH2+]CCO[C@@H]1CCOC1 ZINC000724911225 711627058 /nfs/dbraw/zinc/62/70/58/711627058.db2.gz PKWAYXXOQHNZJX-IJLUTSLNSA-N 1 0 229.320 0.685 10 0 BCAERO C[C@@H]1C[C@@H]1NC(=O)C[C@H]1CSCC[NH2+]1 ZINC000252172441 711647877 /nfs/dbraw/zinc/64/78/77/711647877.db2.gz RKJKWNVUYOZFEC-VGMNWLOBSA-N 1 0 214.334 0.606 10 0 BCAERO CC(C)(CO)[NH2+][C@H](C(N)=O)c1ccccc1 ZINC000309411132 711679940 /nfs/dbraw/zinc/67/99/40/711679940.db2.gz YABKCNFFQIZPII-JTQLQIEISA-N 1 0 222.288 0.574 10 0 BCAERO C[C@H](N[C@H]1C[N@H+](C)C[C@H]1C)c1cn(C)nn1 ZINC000722255120 711731671 /nfs/dbraw/zinc/73/16/71/711731671.db2.gz XPHCYJNQNXGJDD-UTLUCORTSA-N 1 0 223.324 0.416 10 0 BCAERO CCN1CCC[C@@H](NC2CC[NH2+]CC2)C1=O ZINC000722361006 711749004 /nfs/dbraw/zinc/74/90/04/711749004.db2.gz DXVCGGOSXZWRTO-LLVKDONJSA-N 1 0 225.336 0.339 10 0 BCAERO C[Si](C)(C)C[N@@H+]1CCO[C@@H](CO)C1 ZINC000307172007 711773554 /nfs/dbraw/zinc/77/35/54/711773554.db2.gz HLGFPQXZLZLXMQ-SECBINFHSA-N 1 0 203.358 0.557 10 0 BCAERO C[C@@H]([NH3+])CC(=O)N[C@@H](C)[C@@H]1CCCO1 ZINC000037476263 711784260 /nfs/dbraw/zinc/78/42/60/711784260.db2.gz DCLQYKXGXZOPJF-VGMNWLOBSA-N 1 0 200.282 0.407 10 0 BCAERO CC(C)(O)[C@H]1CC[N@@H+]([C@@H]2CCC[C@H]2O)C1 ZINC000721864529 711792105 /nfs/dbraw/zinc/79/21/05/711792105.db2.gz XXZNGCMRZOANDQ-HBNTYKKESA-N 1 0 213.321 0.993 10 0 BCAERO C[NH2+][C@H](C)C(=O)NC[C@@H](O)CC(C)C ZINC000226119264 711830108 /nfs/dbraw/zinc/83/01/08/711830108.db2.gz FGBOCVDRZNBNKD-BDAKNGLRSA-N 1 0 202.298 0.118 10 0 BCAERO C[NH2+][C@H](C)C(=O)NC[C@H](O)CC(C)C ZINC000226119275 711830285 /nfs/dbraw/zinc/83/02/85/711830285.db2.gz FGBOCVDRZNBNKD-RKDXNWHRSA-N 1 0 202.298 0.118 10 0 BCAERO CC1(C)C(NC(=O)[C@@H]2C[NH2+]CCOC2)C1(C)C ZINC000700487777 711994668 /nfs/dbraw/zinc/99/46/68/711994668.db2.gz APFQJLDBOUPQMV-SECBINFHSA-N 1 0 240.347 0.773 10 0 BCAERO CC[C@@](C)(O)C[NH2+][C@H]1COCCC1(OC)OC ZINC000705011220 712121447 /nfs/dbraw/zinc/12/14/47/712121447.db2.gz MMMNMQFGPIHEOF-WDEREUQCSA-N 1 0 247.335 0.515 10 0 BCAERO Cc1ncc(C[NH2+][C@@H]2CCOC[C@@H]2O)s1 ZINC000706790839 712155436 /nfs/dbraw/zinc/15/54/36/712155436.db2.gz JEVWBBBNWCFDJE-ZJUUUORDSA-N 1 0 228.317 0.691 10 0 BCAERO C[C@@H]1C[N@H+](Cc2cnccn2)C[C@H]1CO ZINC000708686939 712196888 /nfs/dbraw/zinc/19/68/88/712196888.db2.gz NPVWTBNZYTVDMS-ZJUUUORDSA-N 1 0 207.277 0.537 10 0 BCAERO COC1CC(C[N@@H+]2C[C@@H](C)[C@H](CO)C2)C1 ZINC000708687956 712196980 /nfs/dbraw/zinc/19/69/80/712196980.db2.gz WLQRMYUFIDGHTR-ZYGVAYEYSA-N 1 0 213.321 0.972 10 0 BCAERO C[C@H]1CN(C(=O)C(C)(F)F)C[C@H]1C[NH3+] ZINC000708827657 712199955 /nfs/dbraw/zinc/19/99/55/712199955.db2.gz YRWLWBJXBFVOGB-NKWVEPMBSA-N 1 0 206.236 0.695 10 0 BCAERO CCCCOC(=O)CN1C[C@H](C)[C@H](C[NH3+])C1 ZINC000708891113 712202911 /nfs/dbraw/zinc/20/29/11/712202911.db2.gz RFMNNDPAKUKNGI-WDEREUQCSA-N 1 0 228.336 0.856 10 0 BCAERO CO[C@H]1CN(Cc2cnns2)[C@](C)(C[NH3+])C1 ZINC000708930755 712203061 /nfs/dbraw/zinc/20/30/61/712203061.db2.gz KHQWCOMXRKCVTH-SCZZXKLOSA-N 1 0 242.348 0.476 10 0 BCAERO CO[C@@H]1CN(Cc2cc[nH]n2)[C@@](C)(C[NH3+])C1 ZINC000708971762 712204456 /nfs/dbraw/zinc/20/44/56/712204456.db2.gz KJCQNGMQSYUIOG-WDEREUQCSA-N 1 0 224.308 0.348 10 0 BCAERO C[N@H+](C[C@@H]1CCC[C@@H](O)C1)[C@@H]1COC[C@H]1O ZINC000709645888 712214718 /nfs/dbraw/zinc/21/47/18/712214718.db2.gz FERMDEQWPXRFFI-DDHJBXDOSA-N 1 0 229.320 0.229 10 0 BCAERO CCCCOC[C@H](O)C[NH2+]C[C@H]1CCN1C ZINC000712565836 712446568 /nfs/dbraw/zinc/44/65/68/712446568.db2.gz YKZIFUBUUGECOE-VXGBXAGGSA-N 1 0 230.352 0.458 10 0 BCAERO C[C@@H]1CCCCN1C(=O)[C@@H]1CO[C@H](C[NH3+])C1 ZINC000713826350 712472763 /nfs/dbraw/zinc/47/27/63/712472763.db2.gz WSFVCCMAPQQXFG-VWYCJHECSA-N 1 0 226.320 0.751 10 0 BCAERO CCCCCNC(=O)[C@H]1CO[C@@H](C[NH3+])C1 ZINC000713873307 712473231 /nfs/dbraw/zinc/47/32/31/712473231.db2.gz QEKATNZSNZPJDL-NXEZZACHSA-N 1 0 214.309 0.657 10 0 BCAERO CC(C)OCCCNC(=O)[C@H]1CO[C@@H](C[NH3+])C1 ZINC000713855331 712473443 /nfs/dbraw/zinc/47/34/43/712473443.db2.gz GPHJQTJUGSYNFO-GHMZBOCLSA-N 1 0 244.335 0.282 10 0 BCAERO CCCCN(C)C(=O)[C@H]1CO[C@H](C[NH3+])C1 ZINC000713874086 712473501 /nfs/dbraw/zinc/47/35/01/712473501.db2.gz ROFSGTWIVPZZSW-ZJUUUORDSA-N 1 0 214.309 0.609 10 0 BCAERO CC(C)OCCCNC(=O)[C@H]1CO[C@H](C[NH3+])C1 ZINC000713855333 712473505 /nfs/dbraw/zinc/47/35/05/712473505.db2.gz GPHJQTJUGSYNFO-MNOVXSKESA-N 1 0 244.335 0.282 10 0 BCAERO COCC1CC(NC(=O)CCC[NH3+])C1 ZINC000713931442 712473888 /nfs/dbraw/zinc/47/38/88/712473888.db2.gz TVCWKYKEBPXGKA-UHFFFAOYSA-N 1 0 200.282 0.267 10 0 BCAERO COCC1CC(NC(=O)C[C@@H]([NH3+])C(C)C)C1 ZINC000713942147 712474056 /nfs/dbraw/zinc/47/40/56/712474056.db2.gz AQUSXAVJJMGCKJ-VQXHTEKXSA-N 1 0 228.336 0.901 10 0 BCAERO COCC1CC(NC(=O)[C@H]2C[C@H](C)CC[NH2+]2)C1 ZINC000713945877 712474158 /nfs/dbraw/zinc/47/41/58/712474158.db2.gz OCZGLOJEJSWANW-HBIQZDMRSA-N 1 0 240.347 0.916 10 0 BCAERO COCC1CC([NH2+][C@@H]2CCCNC(=O)C2)C1 ZINC000714009409 712477370 /nfs/dbraw/zinc/47/73/70/712477370.db2.gz PKSXARUXXVGMOH-HSOILSAZSA-N 1 0 226.320 0.670 10 0 BCAERO COCC1CC(NC(=O)[C@H]2[NH2+]CC2(C)C)C1 ZINC000713977416 712475322 /nfs/dbraw/zinc/47/53/22/712475322.db2.gz JLIGVELLEHZLDS-UDNWOFFPSA-N 1 0 226.320 0.526 10 0 BCAERO [NH3+]C[C@@H]1[C@H](C(=O)N[C@H]2CCC[C@@H](O)C2)C1(F)F ZINC000715073505 712506157 /nfs/dbraw/zinc/50/61/57/712506157.db2.gz KDQYLVFHUYIBDX-JQCXWYLXSA-N 1 0 248.273 0.246 10 0 BCAERO CCO[C@@H]1C[C@H]([NH2+]C2CC(C(N)=O)C2)[C@H]1OC ZINC000716687819 712570511 /nfs/dbraw/zinc/57/05/11/712570511.db2.gz RYIXLKJDEFJRTH-NWUXKBAASA-N 1 0 242.319 0.032 10 0 BCAERO CC1(C)OCC[C@H]1[NH2+]C1CC(C(N)=O)C1 ZINC000716741359 712571867 /nfs/dbraw/zinc/57/18/67/712571867.db2.gz POEPHZMTOVDZJX-AMDVSUOASA-N 1 0 212.293 0.407 10 0 BCAERO C[C@@H]([NH2+]C1CC(C(N)=O)C1)[C@H]1CCOC1 ZINC000716740280 712571902 /nfs/dbraw/zinc/57/19/02/712571902.db2.gz INDKWOPAJBOCTB-XHHQTKHESA-N 1 0 212.293 0.265 10 0 BCAERO C[C@H]([NH2+]C1CC(C(N)=O)C1)c1ccncc1 ZINC000716754610 712572589 /nfs/dbraw/zinc/57/25/89/712572589.db2.gz HZDJENVHNFDENV-PUSIOWJLSA-N 1 0 219.288 0.996 10 0 BCAERO C[C@H]([NH2+]C1CC(C(N)=O)C1)[C@H]1CCCO1 ZINC000716741161 712572065 /nfs/dbraw/zinc/57/20/65/712572065.db2.gz OFJHFVMYFBSYMS-AUXWQGHOSA-N 1 0 212.293 0.407 10 0 BCAERO CC(C)CC[C@H]([NH3+])C(=O)NC1CC(C(N)=O)C1 ZINC000716744272 712572076 /nfs/dbraw/zinc/57/20/76/712572076.db2.gz CEWWKYUPRXEFTC-RTBKNWGFSA-N 1 0 241.335 0.130 10 0 BCAERO C[NH2+][C@H](C)CNC(=O)c1ccc[nH]c1=O ZINC000379824980 712613309 /nfs/dbraw/zinc/61/33/09/712613309.db2.gz VSNXGHPSOHCCBS-SSDOTTSWSA-N 1 0 209.249 0.125 10 0 BCAERO C[NH2+][C@@H](C)CNC(=O)C[C@H]1CC(C)(C)CO1 ZINC000717079358 712628935 /nfs/dbraw/zinc/62/89/35/712628935.db2.gz ICUIVWFSMOMHSL-UWVGGRQHSA-N 1 0 228.336 0.916 10 0 BCAERO C[C@@H]1OCC[C@@H]1NC(=O)CC[NH2+]CC1CC1 ZINC000717244613 712641476 /nfs/dbraw/zinc/64/14/76/712641476.db2.gz ZEBFHJPTJJMYEO-ONGXEEELSA-N 1 0 226.320 0.670 10 0 BCAERO Cc1cc(=O)[nH]c(C[NH2+][C@@H](CO)C2CCC2)n1 ZINC000717595400 712660953 /nfs/dbraw/zinc/66/09/53/712660953.db2.gz SHAOQXYSRWQVAB-JTQLQIEISA-N 1 0 237.303 0.741 10 0 BCAERO C[C@H]1[NH2+]CCC[C@H]1NC(=O)COC1CC1 ZINC000717664492 712663677 /nfs/dbraw/zinc/66/36/77/712663677.db2.gz IAWARCMVWKOGLT-PSASIEDQSA-N 1 0 212.293 0.422 10 0 BCAERO C[NH2+][C@H](C)CNS(=O)(=O)c1ccns1 ZINC000717724584 712667393 /nfs/dbraw/zinc/66/73/93/712667393.db2.gz QSVYMAKSLMFQIE-ZCFIWIBFSA-N 1 0 235.334 0.029 10 0 BCAERO C[N@@H+]1CC[C@H]2CN(C(=O)CCCCO)C[C@@H]2C1 ZINC000380012353 712670048 /nfs/dbraw/zinc/67/00/48/712670048.db2.gz BTSJMJNVIWBZEB-RYUDHWBXSA-N 1 0 240.347 0.559 10 0 BCAERO C[NH2+][C@H](C)CNC(=O)[C@H]1C[C@H](C)CO1 ZINC000718475183 712764382 /nfs/dbraw/zinc/76/43/82/712764382.db2.gz GTZPJANZIATMSU-DJLDLDEBSA-N 1 0 200.282 0.136 10 0 BCAERO C[C@@H]1CO[C@@H](C(=O)N2CCC[C@H]([NH3+])C2)C1 ZINC000718500084 712767053 /nfs/dbraw/zinc/76/70/53/712767053.db2.gz YPRLJXGEEUCCHM-LPEHRKFASA-N 1 0 212.293 0.361 10 0 BCAERO O[C@@H]1CCC[C@H]1[N@@H+]1CC[C@@H](C2OCCO2)C1 ZINC000719075895 712795655 /nfs/dbraw/zinc/79/56/55/712795655.db2.gz IIEJDFFNNQOOHG-GMTAPVOTSA-N 1 0 227.304 0.595 10 0 BCAERO C[C@H]1C[C@@H]1NC(=O)c1c(C[NH3+])cnn1C ZINC000719245104 712801367 /nfs/dbraw/zinc/80/13/67/712801367.db2.gz PSSAYTKMWYWLQT-XPUUQOCRSA-N 1 0 208.265 0.017 10 0 BCAERO CC(C)(O)[C@H]1CCC[N@H+](C[C@@H]2CNC(=O)O2)C1 ZINC000719642267 712819172 /nfs/dbraw/zinc/81/91/72/712819172.db2.gz MYTXTMZFRHJPFB-UWVGGRQHSA-N 1 0 242.319 0.578 10 0 BCAERO C[C@H](N[C@H]1CCC[C@@H]([NH3+])C1)c1cn(C)nn1 ZINC000720585080 712854853 /nfs/dbraw/zinc/85/48/53/712854853.db2.gz VJMMCIDETCZBPJ-AEJSXWLSSA-N 1 0 223.324 0.736 10 0 BCAERO [NH3+]Cc1cn(C[C@@H]2C[C@@H]3CCC[C@@H]3O2)nn1 ZINC000720865750 712871123 /nfs/dbraw/zinc/87/11/23/712871123.db2.gz BBZYFJRVNVJGIP-LSJOCFKGSA-N 1 0 222.292 0.694 10 0 BCAERO CO[C@](C)(C[NH2+]CCn1cncn1)C1CC1 ZINC000380971614 710595984 /nfs/dbraw/zinc/59/59/84/710595984.db2.gz AQRLJIYTVLWKHP-LLVKDONJSA-N 1 0 224.308 0.683 10 0 BCAERO CCCCC[C@@H](O)CC(=O)N[C@H](C)C[NH3+] ZINC000381272641 710615258 /nfs/dbraw/zinc/61/52/58/710615258.db2.gz WASDHZHGYNVYFK-NXEZZACHSA-N 1 0 216.325 0.781 10 0 BCAERO Cc1cc(C[NH2+]C[C@@H]2CC(=O)N(C)C2)n(C)n1 ZINC000722742521 710719461 /nfs/dbraw/zinc/71/94/61/710719461.db2.gz RLWHBBZHUBMJFW-JTQLQIEISA-N 1 0 236.319 0.296 10 0 BCAERO COC1CC([NH2+][C@@H](C)C[C@H]2CCC(=O)N2)C1 ZINC000380768306 712902977 /nfs/dbraw/zinc/90/29/77/712902977.db2.gz YDMWBWQNAHOVLY-IZUQBHJASA-N 1 0 226.320 0.811 10 0 BCAERO C[NH2+]C1(C(=O)N2C[C@@H](C)O[C@H](C)C2)CCC1 ZINC000381097175 710602165 /nfs/dbraw/zinc/60/21/65/710602165.db2.gz WYZZXDZSJIPJLT-NXEZZACHSA-N 1 0 226.320 0.764 10 0 BCAERO CO[C@H]1C[C@@H](C[N@@H+]2CC[C@H]3OCCN[C@H]3C2)C1 ZINC000721957887 710693899 /nfs/dbraw/zinc/69/38/99/710693899.db2.gz BNGKEODEUPCNIG-QNWHQSFQSA-N 1 0 240.347 0.474 10 0 BCAERO [NH3+]C1CC(C(=O)N2CCCn3nccc32)C1 ZINC000722695982 711466406 /nfs/dbraw/zinc/46/64/06/711466406.db2.gz CUCWGWBNAAWDQY-UHFFFAOYSA-N 1 0 220.276 0.357 10 0 BCAERO O=C(N[C@@H]1CCC[C@H](O)C1)[C@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC000721023744 711487375 /nfs/dbraw/zinc/48/73/75/711487375.db2.gz FSTVVFFMDONDMM-LVEVGFFFSA-N 1 0 238.331 0.262 10 0 BCAERO CN1CC[C@@H]2CC[C@H](C1)[N@@H+]2CC(C)(C)O ZINC000717427854 711490574 /nfs/dbraw/zinc/49/05/74/711490574.db2.gz XHFDUSFXHGEYLN-WDEREUQCSA-N 1 0 212.337 0.926 10 0 BCAERO [NH3+]C[C@@H]1CCCN1C(=O)c1cccn2nccc12 ZINC000723488660 711513029 /nfs/dbraw/zinc/51/30/29/711513029.db2.gz RAKQEPGNJUOZTC-JTQLQIEISA-N 1 0 244.298 0.898 10 0 BCAERO [NH3+]C[C@H]1CCCN1C(=O)c1cccn2nccc12 ZINC000723488663 711513270 /nfs/dbraw/zinc/51/32/70/711513270.db2.gz RAKQEPGNJUOZTC-SNVBAGLBSA-N 1 0 244.298 0.898 10 0 BCAERO CCOC(=O)/C=C/C[NH2+][C@@H]1CCO[C@@H]1C ZINC000134542402 711517786 /nfs/dbraw/zinc/51/77/86/711517786.db2.gz HOLSFNGYKCQRFJ-NUNSBDKSSA-N 1 0 213.277 0.873 10 0 BCAERO Cc1cn(C)nc1CN1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000723980229 711550842 /nfs/dbraw/zinc/55/08/42/711550842.db2.gz HRKZNLBJAPRAFB-ONGXEEELSA-N 1 0 222.336 0.755 10 0 BCAERO C[C@@H]1C[C@H](C[N@@H+]2CCO[C@@H](CO)C2)C[C@H](C)O1 ZINC000724362541 711575901 /nfs/dbraw/zinc/57/59/01/711575901.db2.gz LLCWXGNIJWHORZ-MROQNXINSA-N 1 0 243.347 0.883 10 0 BCAERO C[C@@H]([NH3+])CN(C)c1nnnn1-c1ccccc1 ZINC000111375716 711587646 /nfs/dbraw/zinc/58/76/46/711587646.db2.gz SQWRBRLIZCZTBW-SECBINFHSA-N 1 0 232.291 0.446 10 0 BCAERO COC1CC(C[NH2+][C@@H]2COCC[C@H]2OC)C1 ZINC000724873341 711622055 /nfs/dbraw/zinc/62/20/55/711622055.db2.gz ORCWRSONHGARNV-KIDURHIOSA-N 1 0 229.320 0.805 10 0 BCAERO COc1cc(C)nc(N2C[C@H](C)[NH2+]C[C@H]2C)n1 ZINC000252758110 711651290 /nfs/dbraw/zinc/65/12/90/711651290.db2.gz FIXRNQKVXAFEJU-VHSXEESVSA-N 1 0 236.319 0.980 10 0 BCAERO CN1C[C@@H](CC[NH2+]C[C@H](O)C(C)(C)C)CC1=O ZINC000723396674 711729126 /nfs/dbraw/zinc/72/91/26/711729126.db2.gz JEWFERYABOXFNE-QWRGUYRKSA-N 1 0 242.363 0.851 10 0 BCAERO CCOCCOCC(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000236910002 711763139 /nfs/dbraw/zinc/76/31/39/711763139.db2.gz GPDFAJYWCNEORO-WDEREUQCSA-N 1 0 244.335 0.283 10 0 BCAERO CC1(C)C[NH2+]C[C@H]1Nc1ccnc(C(N)=O)c1 ZINC000721866649 711792300 /nfs/dbraw/zinc/79/23/00/711792300.db2.gz QEZUXPKGFVWMOI-SNVBAGLBSA-N 1 0 234.303 0.012 10 0 BCAERO C[C@@H]1OCC[C@@H]1NC(=O)[C@@]1(C)CC[NH2+]C1 ZINC000226458487 711831158 /nfs/dbraw/zinc/83/11/58/711831158.db2.gz VKVOAMUPFUTXSZ-QXEWZRGKSA-N 1 0 212.293 0.280 10 0 BCAERO C[N@@H+]1CC[C@H](NC(=O)N2CCCCC2)C1 ZINC000060313798 711833217 /nfs/dbraw/zinc/83/32/17/711833217.db2.gz KMEPVAXZUODJHE-JTQLQIEISA-N 1 0 211.309 0.886 10 0 BCAERO CC[NH+](CC)[C@@H](C)CNC(=O)c1cnsn1 ZINC000131951042 711951255 /nfs/dbraw/zinc/95/12/55/711951255.db2.gz RJOHWJBQHDCWHM-QMMMGPOBSA-N 1 0 242.348 0.998 10 0 BCAERO Cc1cc(=O)[nH]c(C[NH2+][C@@H](CCO)C(C)C)n1 ZINC000700465815 711996129 /nfs/dbraw/zinc/99/61/29/711996129.db2.gz BFEMLOMOIISVHH-JTQLQIEISA-N 1 0 239.319 0.987 10 0 BCAERO C[NH2+]CCN(C)C(=O)[C@@H]1Cc2ccccc2CO1 ZINC000700650633 712001670 /nfs/dbraw/zinc/00/16/70/712001670.db2.gz DUTHTZUXLWAUDD-ZDUSSCGKSA-N 1 0 248.326 0.806 10 0 BCAERO [NH3+][C@@H]1CCN(C(=O)[C@@H]2Cc3ccccc3CO2)C1 ZINC000700652362 712001782 /nfs/dbraw/zinc/00/17/82/712001782.db2.gz HXKTZLHGZHOQOF-OLZOCXBDSA-N 1 0 246.310 0.688 10 0 BCAERO C[C@@H]([NH3+])CNC(=O)[C@H]1Cc2ccccc2CO1 ZINC000700659203 712001827 /nfs/dbraw/zinc/00/18/27/712001827.db2.gz BUISRHQFAGMUIW-BXKDBHETSA-N 1 0 234.299 0.591 10 0 BCAERO CC[C@H]([NH3+])CNC(=O)[C@@H]1Cc2ccccc2CO1 ZINC000700649362 712001872 /nfs/dbraw/zinc/00/18/72/712001872.db2.gz ANCQVZZMWCFAHF-STQMWFEESA-N 1 0 248.326 0.981 10 0 BCAERO C[C@H]([NH3+])CCNC(=O)[C@H]1Cc2ccccc2CO1 ZINC000700649919 712002076 /nfs/dbraw/zinc/00/20/76/712002076.db2.gz CXTGZIPABNUOJX-GXFFZTMASA-N 1 0 248.326 0.981 10 0 BCAERO C[C@H](C[NH3+])NC(=O)[C@H]1Cc2ccccc2CO1 ZINC000700667912 712002109 /nfs/dbraw/zinc/00/21/09/712002109.db2.gz ZPBBLADBZYYWTO-BXKDBHETSA-N 1 0 234.299 0.591 10 0 BCAERO CN(CC[NH3+])C(=O)[C@@H]1Cc2ccccc2CO1 ZINC000700709763 712003740 /nfs/dbraw/zinc/00/37/40/712003740.db2.gz PMVJFGVEUQIWLO-LBPRGKRZSA-N 1 0 234.299 0.545 10 0 BCAERO Cc1nc(CC(=O)N2C[C@@H](C)[C@H]([NH3+])C2)cs1 ZINC000700776929 712006969 /nfs/dbraw/zinc/00/69/69/712006969.db2.gz SFADSAJOJVYZFY-GMSGAONNSA-N 1 0 239.344 0.800 10 0 BCAERO C[C@@H]1CN(C(=O)c2cccnc2F)C[C@@H]1[NH3+] ZINC000701052786 712013780 /nfs/dbraw/zinc/01/37/80/712013780.db2.gz DRNHQZGVKNAESK-APPZFPTMSA-N 1 0 223.251 0.640 10 0 BCAERO OC[C@H]1C[C@H](O)C[N@@H+]1CCOC1CCCCC1 ZINC000701307630 712019659 /nfs/dbraw/zinc/01/96/59/712019659.db2.gz RERMLIMPGLORTB-NEPJUHHUSA-N 1 0 243.347 0.763 10 0 BCAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)/C=C\c1cnn(C)c1 ZINC000701377945 712021542 /nfs/dbraw/zinc/02/15/42/712021542.db2.gz HOAGJUTVXSWYRK-QKXNICGJSA-N 1 0 234.303 0.381 10 0 BCAERO Cc1cc(OCC(=O)N2C[C@@H](C)[C@@H]([NH3+])C2)no1 ZINC000701392065 712022257 /nfs/dbraw/zinc/02/22/57/712022257.db2.gz QCDOZMPBENNUPW-APPZFPTMSA-N 1 0 239.275 0.167 10 0 BCAERO O=C(NCc1ccon1)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000702100358 712038947 /nfs/dbraw/zinc/03/89/47/712038947.db2.gz DYHWQCFEVSMZLB-CABZTGNLSA-N 1 0 235.287 0.681 10 0 BCAERO O[C@@H]1C[NH2+]C[C@@H]1CNc1cncc(Cl)n1 ZINC000702831208 712061453 /nfs/dbraw/zinc/06/14/53/712061453.db2.gz LXLGEHWQGAYHFA-RNFRBKRXSA-N 1 0 228.683 0.122 10 0 BCAERO C[C@@H]1COC[C@@H]1[NH2+]CC1(O)CCSCC1 ZINC000705247798 712126124 /nfs/dbraw/zinc/12/61/24/712126124.db2.gz UMNNMPPQHGHSOL-ZJUUUORDSA-N 1 0 231.361 0.869 10 0 BCAERO C[C@@H]1C[C@H](O)CC[N@@H+]1CCC1OCCCO1 ZINC000706078875 712139464 /nfs/dbraw/zinc/13/94/64/712139464.db2.gz AFJDPSVNDZKUCC-GHMZBOCLSA-N 1 0 229.320 0.985 10 0 BCAERO C[C@H]1CN(Cc2cc(Cl)n(C)n2)C[C@H]1[NH3+] ZINC000706123180 712140318 /nfs/dbraw/zinc/14/03/18/712140318.db2.gz GCAUSXRLJAUWAM-IONNQARKSA-N 1 0 228.727 0.853 10 0 BCAERO O[C@@H]1COCC[C@@H]1[NH2+]Cc1cnn2ccccc12 ZINC000706777847 712155169 /nfs/dbraw/zinc/15/51/69/712155169.db2.gz PZLPDSBPGNATHH-WCQYABFASA-N 1 0 247.298 0.574 10 0 BCAERO C[C@H]([NH2+][C@H]1CCOC[C@@H]1O)C1(Cl)CC1 ZINC000706789746 712155572 /nfs/dbraw/zinc/15/55/72/712155572.db2.gz OLOVDABOOYOLIO-CIUDSAMLSA-N 1 0 219.712 0.886 10 0 BCAERO C[C@@H]1OC[C@H]([NH2+][C@@H]2CCOC[C@@H]2O)[C@@H]1C ZINC000706791852 712156020 /nfs/dbraw/zinc/15/60/20/712156020.db2.gz HUDLKZWHIXMKDV-XXFSISAASA-N 1 0 215.293 0.149 10 0 BCAERO O[C@@H](C[NH2+][C@H]1CCOC[C@@H]1O)c1ccccc1 ZINC000706968441 712160017 /nfs/dbraw/zinc/16/00/17/712160017.db2.gz JUKJHIJTAWDMKT-AVGNSLFASA-N 1 0 237.299 0.459 10 0 BCAERO O[C@H](C[NH2+][C@H]1CCOC[C@@H]1O)c1ccccc1 ZINC000706968450 712160029 /nfs/dbraw/zinc/16/00/29/712160029.db2.gz JUKJHIJTAWDMKT-XQQFMLRXSA-N 1 0 237.299 0.459 10 0 BCAERO OCc1cc(N2CC(n3cccn3)C2)cc[nH+]1 ZINC000707644059 712176335 /nfs/dbraw/zinc/17/63/35/712176335.db2.gz MMYJIVOUMNDUIT-UHFFFAOYSA-N 1 0 230.271 0.832 10 0 BCAERO CSC1CC([NH2+]C[C@@H](O)Cn2cccn2)C1 ZINC000708269338 712184549 /nfs/dbraw/zinc/18/45/49/712184549.db2.gz KRNKGJRTVUVRSE-HSOILSAZSA-N 1 0 241.360 0.728 10 0 BCAERO CCOC[C@@H]1CCN(C(=O)C2CC([NH3+])C2)C1 ZINC000708319176 712186671 /nfs/dbraw/zinc/18/66/71/712186671.db2.gz LOKFUFHSZCKEAH-KPPDAEKUSA-N 1 0 226.320 0.609 10 0 BCAERO CO[C@@]1(C[N@@H+]2C[C@@H](C)[C@H](CO)C2)CCOC1 ZINC000708686668 712196778 /nfs/dbraw/zinc/19/67/78/712196778.db2.gz LFABTWPNYJMNJB-GRYCIOLGSA-N 1 0 229.320 0.352 10 0 BCAERO C[C@H]1CN(C(=O)c2cnsn2)C[C@@H]1C[NH3+] ZINC000708827865 712199914 /nfs/dbraw/zinc/19/99/14/712199914.db2.gz JEMFKZBIPIXKGY-BQBZGAKWSA-N 1 0 226.305 0.205 10 0 BCAERO CO[C@@H]1CN(C[C@H]2CCCO2)[C@](C)(C[NH3+])C1 ZINC000708939469 712203073 /nfs/dbraw/zinc/20/30/73/712203073.db2.gz DLAQLUZYYYSHGY-WOPDTQHZSA-N 1 0 228.336 0.604 10 0 BCAERO CO[C@@H]1CN(Cc2nonc2C)[C@@](C)(C[NH3+])C1 ZINC000708950239 712203351 /nfs/dbraw/zinc/20/33/51/712203351.db2.gz IJFNJXAWOPBCBH-GXSJLCMTSA-N 1 0 240.307 0.316 10 0 BCAERO CO[C@@H]1CN(C[C@@H]2CCCO2)[C@@](C)(C[NH3+])C1 ZINC000708939465 712203767 /nfs/dbraw/zinc/20/37/67/712203767.db2.gz DLAQLUZYYYSHGY-SDDRHHMPSA-N 1 0 228.336 0.604 10 0 BCAERO CO[C@@H]1CN(Cc2cc[nH]n2)[C@](C)(C[NH3+])C1 ZINC000708971760 712204334 /nfs/dbraw/zinc/20/43/34/712204334.db2.gz KJCQNGMQSYUIOG-QWRGUYRKSA-N 1 0 224.308 0.348 10 0 BCAERO COC(=O)N1C[C@H](OC)C[C@]1(C)C[NH3+] ZINC000708999642 712205414 /nfs/dbraw/zinc/20/54/14/712205414.db2.gz RPJXLBLOUUYRNO-VXNVDRBHSA-N 1 0 202.254 0.191 10 0 BCAERO COC1CC(CN2CCC[C@@H]([NH2+]CCO)C2)C1 ZINC000708585579 712213992 /nfs/dbraw/zinc/21/39/92/712213992.db2.gz GZCMQOIQYJULQR-OTTFEQOBSA-N 1 0 242.363 0.458 10 0 BCAERO C[C@H]1COCCN1C(=O)CCC1C[NH2+]C1 ZINC000709401191 712220853 /nfs/dbraw/zinc/22/08/53/712220853.db2.gz MQJATQWIQNNHNO-VIFPVBQESA-N 1 0 212.293 0.233 10 0 BCAERO CC(=O)CC[N@@H+](C)C[C@@H]1CN(C)CCO1 ZINC000709486140 712222842 /nfs/dbraw/zinc/22/28/42/712222842.db2.gz DRFLRKDPYJTDDP-LLVKDONJSA-N 1 0 214.309 0.228 10 0 BCAERO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(c1cnccn1)C2 ZINC000709795965 712227254 /nfs/dbraw/zinc/22/72/54/712227254.db2.gz SSQWAKUJBRRCRM-AEJSXWLSSA-N 1 0 204.277 0.793 10 0 BCAERO CN1CCC[C@H]1C[N@@H+]1CCC[C@@H](CO)[C@H]1CO ZINC000709837368 712229199 /nfs/dbraw/zinc/22/91/99/712229199.db2.gz QHSZOBWGCHNTMQ-RWMBFGLXSA-N 1 0 242.363 0.146 10 0 BCAERO C[C@H]([NH2+][C@@H]1CCC(=O)N[C@@H]1C)c1cn(C)cn1 ZINC000709947377 712234103 /nfs/dbraw/zinc/23/41/03/712234103.db2.gz DGMUEDXQVRGKDM-KXUCPTDWSA-N 1 0 236.319 0.738 10 0 BCAERO COC[C@]1(C(=O)N[C@H](C)C(C)C)C[NH2+]CCO1 ZINC000710691505 712254220 /nfs/dbraw/zinc/25/42/20/712254220.db2.gz RDDRTORQQMRRAW-PWSUYJOCSA-N 1 0 244.335 0.152 10 0 BCAERO CCN1CC[C@H]([NH2+][C@@H]2CCC2(OC)OC)C1 ZINC000710987191 712272331 /nfs/dbraw/zinc/27/23/31/712272331.db2.gz HZZFQXSLUQJLND-WDEREUQCSA-N 1 0 228.336 0.822 10 0 BCAERO COC1(OC)CC[C@@H]1[NH2+]C[C@H]1CN(C)CCO1 ZINC000710989781 712272445 /nfs/dbraw/zinc/27/24/45/712272445.db2.gz QZDMJUAWMLLFLL-QWRGUYRKSA-N 1 0 244.335 0.058 10 0 BCAERO CC1(C)C[NH2+]C[C@H]1C(=O)NCC[C@H]1CCCO1 ZINC000711346733 712294995 /nfs/dbraw/zinc/29/49/95/712294995.db2.gz KDGFXLFTEAGDGP-MNOVXSKESA-N 1 0 240.347 0.917 10 0 BCAERO O=C(N[C@@]12CCC[C@H]1[NH2+]CC2)[C@H]1CCCO1 ZINC000711596195 712311020 /nfs/dbraw/zinc/31/10/20/712311020.db2.gz BUNVIXJPEMVIQK-CKYFFXLPSA-N 1 0 224.304 0.566 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)N[C@]23CCC[C@H]2[NH2+]CC3)O1 ZINC000711618114 712312915 /nfs/dbraw/zinc/31/29/15/712312915.db2.gz SNIMRSJJVUHVOY-UZWSLXQKSA-N 1 0 238.331 0.955 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)N[C@]23CCC[C@@H]2[NH2+]CC3)O1 ZINC000711618111 712313077 /nfs/dbraw/zinc/31/30/77/712313077.db2.gz SNIMRSJJVUHVOY-DCQANWLSSA-N 1 0 238.331 0.955 10 0 BCAERO CC(C)([NH3+])c1cn(CCOC2CC2)nn1 ZINC000711787590 712329887 /nfs/dbraw/zinc/32/98/87/712329887.db2.gz TWZVHKGQNSNRKU-UHFFFAOYSA-N 1 0 210.281 0.651 10 0 BCAERO C[NH2+][C@H](C)C(=O)N[C@H](C1CCC1)[C@H]1CCOC1 ZINC000711854017 712336983 /nfs/dbraw/zinc/33/69/83/712336983.db2.gz CQHSIMXYTXZQCN-ADEWGFFLSA-N 1 0 240.347 0.916 10 0 BCAERO CS[C@@H](C)C(=O)N1C[C@@H](F)C[C@H]1C[NH3+] ZINC000378668616 712357088 /nfs/dbraw/zinc/35/70/88/712357088.db2.gz IGAAXPGAOXCHQT-FXQIFTODSA-N 1 0 220.313 0.636 10 0 BCAERO CCOCCCN1C[C@@H](F)C[C@H]1C[NH3+] ZINC000378791169 712361790 /nfs/dbraw/zinc/36/17/90/712361790.db2.gz NPJPDNMZGDOHQZ-UWVGGRQHSA-N 1 0 204.289 0.784 10 0 BCAERO CS/C=C/C(=O)N1CCC[C@@H]1C[NH3+] ZINC000379629916 712391067 /nfs/dbraw/zinc/39/10/67/712391067.db2.gz MLZUVCLNXUZYHT-YZCDNWJKSA-N 1 0 200.307 0.813 10 0 BCAERO Cn1ncc(C[NH2+]C2CC(CO)C2)c1Cl ZINC000712432537 712429795 /nfs/dbraw/zinc/42/97/95/712429795.db2.gz RSRUAZJKTJWLKQ-UHFFFAOYSA-N 1 0 229.711 0.934 10 0 BCAERO CN1CC[C@@H]1C[NH2+]C[C@H](O)C(C)(C)C ZINC000712616290 712438884 /nfs/dbraw/zinc/43/88/84/712438884.db2.gz QNCWZVNURKMEPX-ZJUUUORDSA-N 1 0 200.326 0.687 10 0 BCAERO CC(C)OC[C@H](O)CN1CC[NH2+]CCC1(C)C ZINC000712565356 712446179 /nfs/dbraw/zinc/44/61/79/712446179.db2.gz XKVIRGUVFAZDMV-GFCCVEGCSA-N 1 0 244.379 0.846 10 0 BCAERO CCCCOC[C@H](O)C[NH2+]C[C@@H]1CCN1C ZINC000712565833 712446207 /nfs/dbraw/zinc/44/62/07/712446207.db2.gz YKZIFUBUUGECOE-NWDGAFQWSA-N 1 0 230.352 0.458 10 0 BCAERO C[C@@H]1CN(C(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)C[C@@H](C)O1 ZINC000713244990 712456605 /nfs/dbraw/zinc/45/66/05/712456605.db2.gz ZLLRWOZCUFZEGC-YFVNTRNASA-N 1 0 238.331 0.750 10 0 BCAERO CCOCCCCNC(=O)[C@@H]1CO[C@@H](C[NH3+])C1 ZINC000713767126 712471890 /nfs/dbraw/zinc/47/18/90/712471890.db2.gz QTFFJLNXCRDPPT-WDEREUQCSA-N 1 0 244.335 0.283 10 0 BCAERO Cc1csc(NC(=O)[C@@H]2CO[C@H](C[NH3+])C2)n1 ZINC000713765525 712472091 /nfs/dbraw/zinc/47/20/91/712472091.db2.gz CBXMHGHTWDUDLZ-YUMQZZPRSA-N 1 0 241.316 0.754 10 0 BCAERO [NH3+]C[C@H]1C[C@H](C(=O)Nc2nccs2)CO1 ZINC000713887779 712472360 /nfs/dbraw/zinc/47/23/60/712472360.db2.gz NDYGXLKCERYXMU-NKWVEPMBSA-N 1 0 227.289 0.445 10 0 BCAERO [NH3+]C[C@H]1C[C@@H](C(=O)N2CCCCCC2)CO1 ZINC000713828061 712472849 /nfs/dbraw/zinc/47/28/49/712472849.db2.gz ZOAAFUHVDCQRTM-GHMZBOCLSA-N 1 0 226.320 0.753 10 0 BCAERO C[C@@H]1CCCN(C(=O)[C@@H]2CO[C@H](C[NH3+])C2)C1 ZINC000713827865 712472947 /nfs/dbraw/zinc/47/29/47/712472947.db2.gz ZAILKBDMGCFLBG-VWYCJHECSA-N 1 0 226.320 0.609 10 0 BCAERO [NH3+]C[C@H]1C[C@@H](C(=O)NC(C2CC2)C2CC2)CO1 ZINC000713808891 712472973 /nfs/dbraw/zinc/47/29/73/712472973.db2.gz CVQQZSNELSHBGW-GHMZBOCLSA-N 1 0 238.331 0.655 10 0 BCAERO CCCCN(CC)C(=O)[C@H]1CO[C@H](C[NH3+])C1 ZINC000713869887 712473213 /nfs/dbraw/zinc/47/32/13/712473213.db2.gz GEMGIRRDRHWGEE-MNOVXSKESA-N 1 0 228.336 0.999 10 0 BCAERO CC(C)CNC(=O)[C@@H]1CO[C@H](C[NH3+])C1 ZINC000713838105 712473514 /nfs/dbraw/zinc/47/35/14/712473514.db2.gz QAVNVUSGMXXDFC-IUCAKERBSA-N 1 0 200.282 0.122 10 0 BCAERO CC(C)[C@H](C)NC(=O)[C@H]1CO[C@H](C[NH3+])C1 ZINC000713870826 712473519 /nfs/dbraw/zinc/47/35/19/712473519.db2.gz IPUVQASWZZEGKE-AEJSXWLSSA-N 1 0 214.309 0.511 10 0 BCAERO COCC1CC(NC(=O)C[NH2+]C(C)C)C1 ZINC000713931284 712473866 /nfs/dbraw/zinc/47/38/66/712473866.db2.gz QQRKKKBMURMJRC-UHFFFAOYSA-N 1 0 214.309 0.526 10 0 BCAERO COCC1CC(NC(=O)[C@H]2CC[NH2+][C@@H]2C)C1 ZINC000713936052 712474220 /nfs/dbraw/zinc/47/42/20/712474220.db2.gz UBNOTCLLSLZRCG-SFXRXQKFSA-N 1 0 226.320 0.526 10 0 BCAERO COCC1CC(NC(=O)[C@@H]2CCC[C@H]2C[NH3+])C1 ZINC000713946554 712474790 /nfs/dbraw/zinc/47/47/90/712474790.db2.gz UBOYEEGWAVXPQK-POSLAHMBSA-N 1 0 240.347 0.903 10 0 BCAERO COCC1CC(NC(=O)[C@H]([NH3+])C2CCC2)C1 ZINC000713984673 712476168 /nfs/dbraw/zinc/47/61/68/712476168.db2.gz VSHKEESVUWFLOR-BOBPJJCASA-N 1 0 226.320 0.655 10 0 BCAERO CC[C@H]1[NH2+]CC[C@H]1C(=O)NC1CC(COC)C1 ZINC000713996765 712476877 /nfs/dbraw/zinc/47/68/77/712476877.db2.gz YLUGNCDFAXYUQR-KIDURHIOSA-N 1 0 240.347 0.916 10 0 BCAERO [NH3+]C[C@H]1C[C@H](c2nc(CC3CC3)no2)CO1 ZINC000714076718 712477780 /nfs/dbraw/zinc/47/77/80/712477780.db2.gz LTKBLYKXAGMSSL-DTWKUNHWSA-N 1 0 223.276 0.853 10 0 BCAERO CCCc1noc([C@@H]2CO[C@H](C[NH3+])C2)n1 ZINC000714078142 712477982 /nfs/dbraw/zinc/47/79/82/712477982.db2.gz UNWTTXMCJMKQLV-YUMQZZPRSA-N 1 0 211.265 0.853 10 0 BCAERO CC(C)(O)C[NH2+]CC[C@H]1CCCS1(=O)=O ZINC000714323989 712482498 /nfs/dbraw/zinc/48/24/98/712482498.db2.gz YAONZMHKEOAPRA-SECBINFHSA-N 1 0 235.349 0.314 10 0 BCAERO CCn1cc(CN2CCC[C@H]2C[NH3+])nn1 ZINC000714420606 712486299 /nfs/dbraw/zinc/48/62/99/712486299.db2.gz LVPLXEIYMNEUHQ-JTQLQIEISA-N 1 0 209.297 0.221 10 0 BCAERO CCCn1cc(C[NH2+][C@H]2CCO[C@H]2C)nn1 ZINC000714479901 712491938 /nfs/dbraw/zinc/49/19/38/712491938.db2.gz WDHSRSXXHKMTQP-ONGXEEELSA-N 1 0 224.308 0.955 10 0 BCAERO CCn1cc(C[NH2+][C@@H]2CCC(=O)N[C@@H]2C)nn1 ZINC000714912297 712499861 /nfs/dbraw/zinc/49/98/61/712499861.db2.gz PDQZTGGXMHATNB-PSASIEDQSA-N 1 0 237.307 0.055 10 0 BCAERO [NH3+][C@H]1C[C@H](CNc2nccn3cnnc23)C1 ZINC000715066095 712505121 /nfs/dbraw/zinc/50/51/21/712505121.db2.gz GFRVLEJEQQAPAO-ZKCHVHJHSA-N 1 0 218.264 0.274 10 0 BCAERO CCC[C@H]([NH3+])C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000036873474 712506589 /nfs/dbraw/zinc/50/65/89/712506589.db2.gz PYVOWCGUYDLUJK-QMMMGPOBSA-N 1 0 248.286 0.922 10 0 BCAERO CC(=O)N[C@H](C(=O)NCC1CC([NH3+])C1)C(C)C ZINC000715084815 712507488 /nfs/dbraw/zinc/50/74/88/712507488.db2.gz BUMKITKKHMYEAQ-ILDUYXDCSA-N 1 0 241.335 0.001 10 0 BCAERO C[C@@H]1OCC[C@@H]1NC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000715130444 712508498 /nfs/dbraw/zinc/50/84/98/712508498.db2.gz WLJSGOPYQBNOBT-XAMCCFCMSA-N 1 0 234.246 0.120 10 0 BCAERO CN(C)C(=O)c1ccc(NC[C@H]2C[C@H]([NH3+])C2)nc1 ZINC000715123297 712510877 /nfs/dbraw/zinc/51/08/77/712510877.db2.gz PYKMAVGSRNELHA-HOMQSWHASA-N 1 0 248.330 0.933 10 0 BCAERO Cn1c(Cl)ncc1C(=O)NCC1CC([NH3+])C1 ZINC000715140552 712511633 /nfs/dbraw/zinc/51/16/33/712511633.db2.gz GFYHTQCLWHXILR-UHFFFAOYSA-N 1 0 242.710 0.541 10 0 BCAERO CSCCCC(=O)NCC1CC([NH3+])C1 ZINC000715140604 712511952 /nfs/dbraw/zinc/51/19/52/712511952.db2.gz IAYDVAIZOAHLLR-UHFFFAOYSA-N 1 0 216.350 0.983 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)NC[C@H]2C[C@H]([NH3+])C2)O1 ZINC000715152188 712512899 /nfs/dbraw/zinc/51/28/99/712512899.db2.gz KLJQTZGQFCBWNC-ZYUZMQFOSA-N 1 0 212.293 0.407 10 0 BCAERO C[C@@H](NC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F)C1CC1 ZINC000715161781 712513378 /nfs/dbraw/zinc/51/33/78/712513378.db2.gz SZLFYNSCUMYTSZ-DTLFHODZSA-N 1 0 218.247 0.741 10 0 BCAERO C[C@H]1COC[C@H](C)N1C(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000715214763 712513886 /nfs/dbraw/zinc/51/38/86/712513886.db2.gz MTPSZGLGQBYAOW-JBDRJPRFSA-N 1 0 248.273 0.462 10 0 BCAERO [NH3+][C@H]1C[C@H](CNc2cn[nH]c(=O)c2Cl)C1 ZINC000715134290 712514568 /nfs/dbraw/zinc/51/45/68/712514568.db2.gz NSZJUXCNKMNRAH-IZLXSQMJSA-N 1 0 228.683 0.985 10 0 BCAERO CC[C@H](C)NC(=O)[C@]12C[NH2+]C[C@H]1COCC2 ZINC000715437854 712518644 /nfs/dbraw/zinc/51/86/44/712518644.db2.gz PQIDZGILPZUGIQ-JBLDHEPKSA-N 1 0 226.320 0.527 10 0 BCAERO COC1CC(C[NH2+][C@H](C)c2cn(C)nn2)C1 ZINC000715853878 712536415 /nfs/dbraw/zinc/53/64/15/712536415.db2.gz UOZFRFUOXOPOSJ-XNWIYYODSA-N 1 0 224.308 0.891 10 0 BCAERO O=C(N[C@H]1CCC[C@H](O)C1)C12CC[NH+](CC1)C2 ZINC000715871439 712538042 /nfs/dbraw/zinc/53/80/42/712538042.db2.gz QIXVCTMFVIOWED-QWRGUYRKSA-N 1 0 238.331 0.502 10 0 BCAERO C[C@H]([NH2+]C[C@@H]1CCO[C@H]1C)c1cn(C)nn1 ZINC000715885823 712539650 /nfs/dbraw/zinc/53/96/50/712539650.db2.gz UIIKIKBNKVWRFC-GUBZILKMSA-N 1 0 224.308 0.891 10 0 BCAERO C[C@H]1C[C@H]1[NH2+]C1CC(S(C)(=O)=O)C1 ZINC000716121938 712550677 /nfs/dbraw/zinc/55/06/77/712550677.db2.gz RVAQTIGOVNQEDT-DFAZKQQPSA-N 1 0 203.307 0.560 10 0 BCAERO C[C@H]1C[C@@H]([NH2+]C2CC(C(N)=O)C2)c2nccn21 ZINC000716683927 712569764 /nfs/dbraw/zinc/56/97/64/712569764.db2.gz MGKMZSNQSUJKQS-AUXWQGHOSA-N 1 0 234.303 0.742 10 0 BCAERO COCc1ccc(C[NH2+]C2CC(C(N)=O)C2)o1 ZINC000716682653 712569863 /nfs/dbraw/zinc/56/98/63/712569863.db2.gz IWEHCMQHXPEDMS-UHFFFAOYSA-N 1 0 238.287 0.780 10 0 BCAERO NC(=O)C1CC([NH2+]C2CCN(C3CC3)CC2)C1 ZINC000716683201 712570007 /nfs/dbraw/zinc/57/00/07/712570007.db2.gz HTDWCSZGDUDVNU-UHFFFAOYSA-N 1 0 237.347 0.467 10 0 BCAERO NC(=O)C1CC([NH2+]Cc2nccn2C2CC2)C1 ZINC000716698828 712570284 /nfs/dbraw/zinc/57/02/84/712570284.db2.gz OAMDAVCZAXOXHI-UHFFFAOYSA-N 1 0 234.303 0.572 10 0 BCAERO NC(=O)C1CC(N[C@@H]2C[C@@H]([NH3+])c3ccccc32)C1 ZINC000716721225 712570659 /nfs/dbraw/zinc/57/06/59/712570659.db2.gz AIYVHAQDHMZJAR-MFIKCIHMSA-N 1 0 245.326 0.985 10 0 BCAERO NC(=O)C1CC([NH2+][C@H]2CO[C@@H](C3CC3)C2)C1 ZINC000716722399 712570740 /nfs/dbraw/zinc/57/07/40/712570740.db2.gz JBBMMFXTQQQZIN-JPPWEJMLSA-N 1 0 224.304 0.407 10 0 BCAERO NC(=O)C1CC([NH2+]CC2(O)CCCCC2)C1 ZINC000716724346 712571243 /nfs/dbraw/zinc/57/12/43/712571243.db2.gz VWKFDSFKSZCYTD-UHFFFAOYSA-N 1 0 226.320 0.535 10 0 BCAERO COCC[C@@H](C)[NH2+]C1CC(C(N)=O)C1 ZINC000716723805 712571356 /nfs/dbraw/zinc/57/13/56/712571356.db2.gz QCFPPEXEZMGHJF-AFPNSQJFSA-N 1 0 200.282 0.265 10 0 BCAERO NC(=O)C1CC([NH2+]C[C@H]2CCCOC2)C1 ZINC000716741348 712572133 /nfs/dbraw/zinc/57/21/33/712572133.db2.gz PLKHLPDZVAALFW-XNWIYYODSA-N 1 0 212.293 0.267 10 0 BCAERO C[C@@H]([NH2+]C1CC(C(N)=O)C1)c1ccncc1 ZINC000716754609 712572364 /nfs/dbraw/zinc/57/23/64/712572364.db2.gz HZDJENVHNFDENV-MFAVDMRSSA-N 1 0 219.288 0.996 10 0 BCAERO Cc1c(C[NH2+]C2CC(C(N)=O)C2)cnn1C ZINC000716758587 712572427 /nfs/dbraw/zinc/57/24/27/712572427.db2.gz ADKWCDVPNVQXGK-UHFFFAOYSA-N 1 0 222.292 0.082 10 0 BCAERO NC(=O)C1CC([NH2+]Cc2cccc(O)c2)C1 ZINC000716755257 712572491 /nfs/dbraw/zinc/57/24/91/712572491.db2.gz LYVSBUIDHTYLSI-UHFFFAOYSA-N 1 0 220.272 0.746 10 0 BCAERO NC(=O)C1CC([NH2+][C@@H]2CCc3cccnc32)C1 ZINC000716774910 712573413 /nfs/dbraw/zinc/57/34/13/712573413.db2.gz KVKNXEHTHRGCSO-VQXHTEKXSA-N 1 0 231.299 0.922 10 0 BCAERO O=C(CC[NH2+]CC1CC1)N[C@H]1CCC[C@@H](O)C1 ZINC000717189294 712638494 /nfs/dbraw/zinc/63/84/94/712638494.db2.gz ZYBVYJSARAWWDS-NWDGAFQWSA-N 1 0 240.347 0.796 10 0 BCAERO O=C(CC[NH2+]CC1CC1)N[C@H]1CCCOC1 ZINC000717241979 712641427 /nfs/dbraw/zinc/64/14/27/712641427.db2.gz FRFUNRDCSFOACF-NSHDSACASA-N 1 0 226.320 0.671 10 0 BCAERO CC1(C)CO[C@H](CNC(=O)[C@@H]2CC[NH2+]C2)C1 ZINC000717590308 712661409 /nfs/dbraw/zinc/66/14/09/712661409.db2.gz UQIXCLYQIWSURB-ZJUUUORDSA-N 1 0 226.320 0.527 10 0 BCAERO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)COC1CC1 ZINC000717664499 712663447 /nfs/dbraw/zinc/66/34/47/712663447.db2.gz IAWARCMVWKOGLT-SCZZXKLOSA-N 1 0 212.293 0.422 10 0 BCAERO [NH3+]C[C@H](NC(=O)COC1CC1)C(F)(F)F ZINC000717679040 712664356 /nfs/dbraw/zinc/66/43/56/712664356.db2.gz TVLDLKYXXRFXMV-LURJTMIESA-N 1 0 226.198 0.171 10 0 BCAERO C[N@@H+]1CC[C@@H]2CN(C(=O)CCCCO)C[C@H]2C1 ZINC000380012354 712669995 /nfs/dbraw/zinc/66/99/95/712669995.db2.gz BTSJMJNVIWBZEB-VXGBXAGGSA-N 1 0 240.347 0.559 10 0 BCAERO CN(C)c1cc(N[C@@H]2COCC[C@@H]2[NH3+])ncn1 ZINC000950757200 712726358 /nfs/dbraw/zinc/72/63/58/712726358.db2.gz GSYTVRKWDJIQJY-DTWKUNHWSA-N 1 0 237.307 0.071 10 0 BCAERO C[C@@H](NC(=O)CC1CC([NH3+])C1)[C@@H]1CCCO1 ZINC000718052037 712739238 /nfs/dbraw/zinc/73/92/38/712739238.db2.gz ZIABWMYSFUCXRQ-SFXRXQKFSA-N 1 0 226.320 0.798 10 0 BCAERO C[C@@H](NC(=O)CC1CC([NH3+])C1)[C@H]1CCCO1 ZINC000718052032 712739328 /nfs/dbraw/zinc/73/93/28/712739328.db2.gz ZIABWMYSFUCXRQ-AGVGLQIMSA-N 1 0 226.320 0.798 10 0 BCAERO [NH3+]C1CC(CC(=O)NCC[C@H]2CCCO2)C1 ZINC000718051619 712739443 /nfs/dbraw/zinc/73/94/43/712739443.db2.gz XLXISZLXJLCLCZ-VQXHTEKXSA-N 1 0 226.320 0.799 10 0 BCAERO C[C@@H]1CO[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000718519884 712768816 /nfs/dbraw/zinc/76/88/16/712768816.db2.gz OCGLUHUQEVHZRN-GDGRRUBZSA-N 1 0 238.331 0.811 10 0 BCAERO CC(C)OC[C@@H](O)C[NH2+]C(C)(C)CO ZINC000037888228 712780872 /nfs/dbraw/zinc/78/08/72/712780872.db2.gz BARJZMZOWYYYFV-VIFPVBQESA-N 1 0 205.298 0.133 10 0 BCAERO COCC(C)(C)CCNC(=O)[C@H]1CC[NH2+]C1 ZINC000718936040 712789094 /nfs/dbraw/zinc/78/90/94/712789094.db2.gz VJUYTXVBOFBTML-JTQLQIEISA-N 1 0 228.336 0.775 10 0 BCAERO CN1CCC[C@H]1C[N@@H+]1CC[C@H](C2OCCO2)C1 ZINC000719090701 712796799 /nfs/dbraw/zinc/79/67/99/712796799.db2.gz HDGFTASKTRXFSA-RYUDHWBXSA-N 1 0 240.347 0.775 10 0 BCAERO Cc1cc(C[NH2+][C@@H]2CCC(=O)N[C@H]2C)c(C)nn1 ZINC000720569884 712852266 /nfs/dbraw/zinc/85/22/66/712852266.db2.gz NOWCFLCYXKVWIA-CMPLNLGQSA-N 1 0 248.330 0.850 10 0 BCAERO Cc1cc(N[C@@H](C)c2cn(C)nn2)nc(N)[nH+]1 ZINC000720572393 712852834 /nfs/dbraw/zinc/85/28/34/712852834.db2.gz IVNFCKXHELRJAZ-ZETCQYMHSA-N 1 0 233.279 0.669 10 0 BCAERO C[C@@H](NCC[NH2+]C(C)(C)C)c1cn(C)nn1 ZINC000720584340 712854684 /nfs/dbraw/zinc/85/46/84/712854684.db2.gz QMZUMUWFUBDCRJ-SECBINFHSA-N 1 0 225.340 0.854 10 0 BCAERO C[C@@H](N[C@@H](C)c1cn(C)nn1)[C@@H]1CCC[NH2+]C1 ZINC000720606248 712858034 /nfs/dbraw/zinc/85/80/34/712858034.db2.gz KEZFSFYFCCEEPO-OUAUKWLOSA-N 1 0 237.351 0.854 10 0 BCAERO CC(C)OC[C@@H](O)CN1C[C@H]([NH3+])C(C)(C)C1 ZINC000720746053 712863154 /nfs/dbraw/zinc/86/31/54/712863154.db2.gz FMBHILQLADHVNY-QWRGUYRKSA-N 1 0 230.352 0.441 10 0 BCAERO C[NH2+]CCN(c1ccc2nncn2n1)C(C)C ZINC000720790812 712866030 /nfs/dbraw/zinc/86/60/30/712866030.db2.gz GZBHIBAHKCWAEK-UHFFFAOYSA-N 1 0 234.307 0.559 10 0 BCAERO C[NH+]1CCC(c2nc(C3(N)CC3)no2)CC1 ZINC000721053688 712888148 /nfs/dbraw/zinc/88/81/48/712888148.db2.gz RZVSDJNNGIPGKV-UHFFFAOYSA-N 1 0 222.292 0.827 10 0 BCAERO Cc1cc(C)cc(S(=O)(=O)NCCC[NH3+])c1 ZINC000041639814 177914643 /nfs/dbraw/zinc/91/46/43/177914643.db2.gz BNAXIIRHULMFPR-UHFFFAOYSA-N 1 0 242.344 0.931 10 0 BCAERO CC[NH2+][C@@H](C)Cc1n[nH]nc1C(=O)OC ZINC000685955040 538899954 /nfs/dbraw/zinc/89/99/54/538899954.db2.gz ZIMIRGSOUDXWQC-LURJTMIESA-N 1 0 212.253 0.132 10 0 BCAERO COC(=O)c1n[nH]nc1[C@H]1CC[NH2+]C[C@H]1C ZINC000685954836 538900151 /nfs/dbraw/zinc/90/01/51/538900151.db2.gz VLSCJODRZPGRFS-RQJHMYQMSA-N 1 0 224.264 0.304 10 0 BCAERO CCS(=O)(=O)[C@@H]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000685955358 538900650 /nfs/dbraw/zinc/90/06/50/538900650.db2.gz YHRLGORVADPCSY-HLTSFMKQSA-N 1 0 205.323 0.937 10 0 BCAERO COCC[NH2+]CC[C@@H](CO)[C@H]1CCCOC1 ZINC000685960793 538908167 /nfs/dbraw/zinc/90/81/67/538908167.db2.gz CLBSLSUOQRLYBV-RYUDHWBXSA-N 1 0 231.336 0.648 10 0 BCAERO C[NH2+]CC[C@H](CO)[C@@H]1COC(C)(C)O1 ZINC000685963302 538909544 /nfs/dbraw/zinc/90/95/44/538909544.db2.gz LQIGMTYRKAGTKT-BDAKNGLRSA-N 1 0 203.282 0.356 10 0 BCAERO CCOC(=O)c1n[nH]nc1CC(C)(C)[NH3+] ZINC000685952580 538896437 /nfs/dbraw/zinc/89/64/37/538896437.db2.gz BBFKVGVCVULTAD-UHFFFAOYSA-N 1 0 212.253 0.261 10 0 BCAERO CC[C@@]1(CO)CN(C(=O)OC(C)(C)C)CC[NH2+]1 ZINC000685952252 538896497 /nfs/dbraw/zinc/89/64/97/538896497.db2.gz BYNNAUBPRAMOQK-LBPRGKRZSA-N 1 0 244.335 0.968 10 0 BCAERO c1ncc(-c2n[nH]c3c2C[NH2+]CC3)cn1 ZINC000685952668 538896657 /nfs/dbraw/zinc/89/66/57/538896657.db2.gz OYLGGLQLJPALSD-UHFFFAOYSA-N 1 0 201.233 0.512 10 0 BCAERO CCOC(=O)c1n[nH]nc1[C@H]1CC[NH2+][C@@H]1C ZINC000685952723 538896991 /nfs/dbraw/zinc/89/69/91/538896991.db2.gz COLJWYQKAGAPBD-RQJHMYQMSA-N 1 0 224.264 0.447 10 0 BCAERO C[C@@H](C(N)=[NH2+])N1CCSC[C@H](C)C1 ZINC000307361808 398138403 /nfs/dbraw/zinc/13/84/03/398138403.db2.gz HZXCLSCTFSWIEO-SFYZADRCSA-N 1 0 201.339 0.996 10 0 BCAERO CCC[NH2+]CC[C@H](CO)[C@H]1CCS(=O)(=O)C1 ZINC000685963841 538910833 /nfs/dbraw/zinc/91/08/33/538910833.db2.gz YGOBUPJPXYYHTP-MNOVXSKESA-N 1 0 249.376 0.419 10 0 BCAERO Clc1cncnc1NC[C@H]1C[NH2+]CCCO1 ZINC000389839772 398140628 /nfs/dbraw/zinc/14/06/28/398140628.db2.gz YEKIPSKPJYYTGM-MRVPVSSYSA-N 1 0 242.710 0.342 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@H]1CO[C@@H](C2CC2)C1 ZINC000638695946 352533517 /nfs/dbraw/zinc/53/35/17/352533517.db2.gz SHDXGIGDZRBVJH-HJQYOEGKSA-N 1 0 238.331 0.526 10 0 BCAERO [NH3+][C@@H]1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC000085009452 136211688 /nfs/dbraw/zinc/21/16/88/136211688.db2.gz INFSKKRJYCVKHK-NTSWFWBYSA-N 1 0 210.199 0.792 10 0 BCAERO CCC(CC)(C[NH3+])C(=O)N[C@H]1CCC(=O)NC1 ZINC000111018880 168323046 /nfs/dbraw/zinc/32/30/46/168323046.db2.gz POWGWKNUBVABJE-VIFPVBQESA-N 1 0 241.335 0.146 10 0 BCAERO CCC(CC)(C[NH3+])Nc1cncc2nnnn21 ZINC000111823126 168324130 /nfs/dbraw/zinc/32/41/30/168324130.db2.gz WZQIBTUJYFLYAP-UHFFFAOYSA-N 1 0 235.295 0.449 10 0 BCAERO C[C@@H]1C[C@H](C(=O)N2CCC[C@@H]2C[NH3+])CCO1 ZINC000257672621 349471035 /nfs/dbraw/zinc/47/10/35/349471035.db2.gz GXPPVVRGCHHMPD-GMTAPVOTSA-N 1 0 226.320 0.751 10 0 BCAERO C(CN1CC[NH2+]CC1)SC1CCOCC1 ZINC000062056266 187322222 /nfs/dbraw/zinc/32/22/22/187322222.db2.gz WMQVEJQLOAQUTK-UHFFFAOYSA-N 1 0 230.377 0.804 10 0 BCAERO [NH3+]CCN1CCOCC[C@H]1c1cncnc1 ZINC000616598045 398145434 /nfs/dbraw/zinc/14/54/34/398145434.db2.gz MRFGYPMVKSEQGL-NSHDSACASA-N 1 0 222.292 0.199 10 0 BCAERO CCC(CC)(CO)CNC(=O)C1CC[NH2+]CC1 ZINC000226693987 168326958 /nfs/dbraw/zinc/32/69/58/168326958.db2.gz BWOVJBCXTVDRBS-UHFFFAOYSA-N 1 0 242.363 0.901 10 0 BCAERO CCCNC(=O)[C@H](C)[N@@H+]1CC[C@H](CCO)C1 ZINC000161591315 349481458 /nfs/dbraw/zinc/48/14/58/349481458.db2.gz ZFHPTXDPOGIQGS-WDEREUQCSA-N 1 0 228.336 0.605 10 0 BCAERO CCC(CC)(CO)[NH2+]CC(=O)N[C@H](C)COC ZINC000053070337 168330061 /nfs/dbraw/zinc/33/00/61/168330061.db2.gz MSWRWCUDIIXGJG-SNVBAGLBSA-N 1 0 246.351 0.278 10 0 BCAERO C[C@H]1OCC[C@H]1[NH2+]CCN1CCO[C@@H](C)C1 ZINC000378716406 346814449 /nfs/dbraw/zinc/81/44/49/346814449.db2.gz ZYVNGHYTODBQNH-QJPTWQEYSA-N 1 0 228.336 0.474 10 0 BCAERO CCO[C@H](CC)C(=O)NC[C@@H](C)[NH2+]C ZINC000389983444 398154847 /nfs/dbraw/zinc/15/48/47/398154847.db2.gz KQBQTTWJHFGTCS-RKDXNWHRSA-N 1 0 202.298 0.526 10 0 BCAERO CCS(=O)(=O)C[C@H](C)[NH2+]CC[C@@H]1CCCO1 ZINC000162222908 538921662 /nfs/dbraw/zinc/92/16/62/538921662.db2.gz MCTVRLNZIRUDRZ-QWRGUYRKSA-N 1 0 249.376 0.968 10 0 BCAERO [NH3+]C[C@@H](O)c1cccnc1Br ZINC000575518119 398180982 /nfs/dbraw/zinc/18/09/82/398180982.db2.gz LBFTUFUJTISRMJ-ZCFIWIBFSA-N 1 0 217.066 0.836 10 0 BCAERO CC(C)(C)[C@@H](O)C[NH2+]C1COCCOC1 ZINC000380091349 398184125 /nfs/dbraw/zinc/18/41/25/398184125.db2.gz IYDJUDHPQNWQJY-JTQLQIEISA-N 1 0 217.309 0.398 10 0 BCAERO Cc1ccc(C(=O)N2CC[C@H]([NH3+])[C@H]2C)c(=O)[nH]1 ZINC000379745334 398163969 /nfs/dbraw/zinc/16/39/69/398163969.db2.gz SUIWSHNMNKODNP-SCZZXKLOSA-N 1 0 235.287 0.657 10 0 BCAERO CN(Cc1ccncc1)C(=O)[C@@H]1C[NH2+]CCOC1 ZINC000649354292 398167194 /nfs/dbraw/zinc/16/71/94/398167194.db2.gz WPHTUSMHUXLUOW-GFCCVEGCSA-N 1 0 249.314 0.276 10 0 BCAERO CN(Cc1cccnc1)C(=O)[C@H]1C[NH2+]CCOC1 ZINC000649354221 398167375 /nfs/dbraw/zinc/16/73/75/398167375.db2.gz ROWOTTJPFNNWSJ-LBPRGKRZSA-N 1 0 249.314 0.276 10 0 BCAERO [NH3+]CC1(CN2CCCCS2(=O)=O)CC1 ZINC000306737512 398185543 /nfs/dbraw/zinc/18/55/43/398185543.db2.gz ZBTKNPZESBXCAV-UHFFFAOYSA-N 1 0 218.322 0.151 10 0 BCAERO C[C@@H]1C[C@@H]1NC(=O)[C@H]1CSCC[NH2+]1 ZINC000252128921 398186602 /nfs/dbraw/zinc/18/66/02/398186602.db2.gz LTUPNXCAIKTONK-GJMOJQLCSA-N 1 0 200.307 0.216 10 0 BCAERO C[C@@]1(C[NH3+])CCN(c2ncc(F)cn2)C1 ZINC000235441799 398189372 /nfs/dbraw/zinc/18/93/72/398189372.db2.gz IFYOZCWJZVTWIY-JTQLQIEISA-N 1 0 210.256 0.791 10 0 BCAERO Cc1cc(F)ccc1S(=O)(=O)N[C@@H]1C[C@H]1[NH3+] ZINC000036264785 178092447 /nfs/dbraw/zinc/09/24/47/178092447.db2.gz MVHRRIMRMCOJTF-RKDXNWHRSA-N 1 0 244.291 0.512 10 0 BCAERO Cc1cc(N2CC[C@H](C[NH3+])C2)nc(C)n1 ZINC000050249507 178119584 /nfs/dbraw/zinc/11/95/84/178119584.db2.gz SXHVOURNACIKBT-SNVBAGLBSA-N 1 0 206.293 0.878 10 0 BCAERO Cc1n[nH]cc1C(=O)N1C[C@H](C)[C@H](C[NH3+])C1 ZINC000638892768 398203717 /nfs/dbraw/zinc/20/37/17/398203717.db2.gz XJLUIEQXDMTVKY-IONNQARKSA-N 1 0 222.292 0.385 10 0 BCAERO CN1CCC[C@H]1C[N@@H+]1CCC[C@@H](O)CC1 ZINC000386324340 398205762 /nfs/dbraw/zinc/20/57/62/398205762.db2.gz OEXCGDLNEOJHMI-NWDGAFQWSA-N 1 0 212.337 0.927 10 0 BCAERO C[C@H]1CC[C@@H](C(=O)c2cn(C)nn2)C[NH2+]1 ZINC000306590118 398214501 /nfs/dbraw/zinc/21/45/01/398214501.db2.gz XQFOMGBKTJAKTH-JGVFFNPUSA-N 1 0 208.265 0.386 10 0 BCAERO Cc1cnc(N2CCO[C@H]([C@H](C)[NH3+])C2)nc1C ZINC000386688116 398217437 /nfs/dbraw/zinc/21/74/37/398217437.db2.gz RFTCFOPPDKHOEQ-ONGXEEELSA-N 1 0 236.319 0.646 10 0 BCAERO Cc1cnc(N(C)CCOCC[NH3+])nc1C ZINC000386734797 398218045 /nfs/dbraw/zinc/21/80/45/398218045.db2.gz CTBPJZSQBKXIPA-UHFFFAOYSA-N 1 0 224.308 0.505 10 0 BCAERO Cc1cc2ncnn2c(NCCC[NH3+])c1 ZINC000036907101 178160642 /nfs/dbraw/zinc/16/06/42/178160642.db2.gz GYKNNUDXKOSHOA-UHFFFAOYSA-N 1 0 205.265 0.798 10 0 BCAERO Cc1cc(NC[C@@H]2C[NH2+]CCO2)ncn1 ZINC000227786547 178167083 /nfs/dbraw/zinc/16/70/83/178167083.db2.gz MWCFQZMRKXQKMX-VIFPVBQESA-N 1 0 208.265 0.185 10 0 BCAERO CN1CC[NH2+]C[C@H]1c1noc(C2CC2)n1 ZINC000261533308 187331006 /nfs/dbraw/zinc/33/10/06/187331006.db2.gz KSOLYHCDKVNLHY-QMMMGPOBSA-N 1 0 208.265 0.523 10 0 BCAERO Cc1cc(NC(=O)[C@H]2CCC[C@@H]2[NH3+])n(C)n1 ZINC000082920237 136222116 /nfs/dbraw/zinc/22/21/16/136222116.db2.gz QURRAIMUKMCPQT-IUCAKERBSA-N 1 0 222.292 0.794 10 0 BCAERO CCC(CC)CN(CC(=O)OC)C(=O)CC[NH3+] ZINC000037812168 168349031 /nfs/dbraw/zinc/34/90/31/168349031.db2.gz URPGJLJYNZUXFU-UHFFFAOYSA-N 1 0 244.335 0.773 10 0 BCAERO [NH3+]CCN1CCOC[C@H](OC(F)(F)F)C1 ZINC000616663167 398223913 /nfs/dbraw/zinc/22/39/13/398223913.db2.gz JRJLAEBTOWNUQV-SSDOTTSWSA-N 1 0 228.214 0.182 10 0 BCAERO [NH3+]CCN1CCOC[C@H](c2ccccn2)C1 ZINC000616663176 398224043 /nfs/dbraw/zinc/22/40/43/398224043.db2.gz JZFMQERONUVSOF-LLVKDONJSA-N 1 0 221.304 0.456 10 0 BCAERO CC(C)[N@H+](C)C[C@@H](O)CN1CC[C@@H](CCO)C1 ZINC000380102716 488173827 /nfs/dbraw/zinc/17/38/27/488173827.db2.gz XRGMTBHBUPABSA-QWHCGFSZSA-N 1 0 244.379 0.392 10 0 BCAERO Cc1cc(OC[C@H]2CCCC[NH2+]2)n2ncnc2n1 ZINC000051883292 178212086 /nfs/dbraw/zinc/21/20/86/178212086.db2.gz XAPVKVBZCNVBGE-SNVBAGLBSA-N 1 0 247.302 0.954 10 0 BCAERO Cc1ncsc1CN1C[C@H]([NH3+])CC1=O ZINC000070837424 361781420 /nfs/dbraw/zinc/78/14/20/361781420.db2.gz IAGOFKGQRBINBX-SSDOTTSWSA-N 1 0 211.290 0.511 10 0 BCAERO Cc1cc(S(=O)(=O)N[C@@H](C)C[NH3+])ccc1F ZINC000077401467 178217124 /nfs/dbraw/zinc/21/71/24/178217124.db2.gz NUEZWQRXMINFQQ-QMMMGPOBSA-N 1 0 246.307 0.760 10 0 BCAERO Cc1cc(SC[C@@H](O)C[NH3+])n(C)n1 ZINC000052310125 178218863 /nfs/dbraw/zinc/21/88/63/178218863.db2.gz DRGVZJQKNGZRCW-ZETCQYMHSA-N 1 0 201.295 0.140 10 0 BCAERO CC(C)[N@H+](C)C[C@H](O)CN1CC[C@@H](CCO)C1 ZINC000380102718 488173966 /nfs/dbraw/zinc/17/39/66/488173966.db2.gz XRGMTBHBUPABSA-STQMWFEESA-N 1 0 244.379 0.392 10 0 BCAERO CC(C)[C@](C)(O)C[N@@H+]1C[C@H](O)C[C@H]1C ZINC000306642497 361767868 /nfs/dbraw/zinc/76/78/68/361767868.db2.gz TWWGXUFPWCDCTH-GMTAPVOTSA-N 1 0 201.310 0.849 10 0 BCAERO COCC(=O)N1CC[C@H](CC(C)C)[C@@H]([NH3+])C1 ZINC000616568729 538938096 /nfs/dbraw/zinc/93/80/96/538938096.db2.gz CWQXVEGZARPDEZ-MNOVXSKESA-N 1 0 228.336 0.855 10 0 BCAERO COCC(=O)N1CC[C@@H](CC(C)C)[C@@H]([NH3+])C1 ZINC000616568730 538938223 /nfs/dbraw/zinc/93/82/23/538938223.db2.gz CWQXVEGZARPDEZ-QWRGUYRKSA-N 1 0 228.336 0.855 10 0 BCAERO Cc1ncccc1Cn1cc(C[NH3+])nn1 ZINC000379803095 398238432 /nfs/dbraw/zinc/23/84/32/398238432.db2.gz MXTZMHKKTJSALN-UHFFFAOYSA-N 1 0 203.249 0.489 10 0 BCAERO Cc1cc2nnc(C[NH2+]C(C)C)n2cn1 ZINC000050194704 178305715 /nfs/dbraw/zinc/30/57/15/178305715.db2.gz KLVQFWWZEZHTDC-UHFFFAOYSA-N 1 0 205.265 0.931 10 0 BCAERO Cc1ccc(O)c(CN2C[C@H]([NH3+])[C@@H](C)C2)n1 ZINC000235683124 398248748 /nfs/dbraw/zinc/24/87/48/398248748.db2.gz PRCWMBQKJHCJSI-WPRPVWTQSA-N 1 0 221.304 0.875 10 0 BCAERO CCC(CC)N(C)C(=O)[C@H](C)N1CC[NH2+]CC1 ZINC000036789589 168367274 /nfs/dbraw/zinc/36/72/74/168367274.db2.gz NOKOZPCLCFQHAO-NSHDSACASA-N 1 0 241.379 0.927 10 0 BCAERO CCC(CC)N(C)C(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000036789277 168367438 /nfs/dbraw/zinc/36/74/38/168367438.db2.gz ZVLJTYQYMQLCAK-NXEZZACHSA-N 1 0 214.309 0.356 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N[C@@H]1C[C@@H](C)O[C@H]1C ZINC000384617780 398259403 /nfs/dbraw/zinc/25/94/03/398259403.db2.gz PPDSTKVHMHIQSB-XFWSIPNHSA-N 1 0 214.309 0.796 10 0 BCAERO Cc1ccc(-c2nnc(CC[NH3+])o2)cn1 ZINC000050283732 178341340 /nfs/dbraw/zinc/34/13/40/178341340.db2.gz SXEWTXCIIGKGKA-UHFFFAOYSA-N 1 0 204.233 0.941 10 0 BCAERO OCC1(C[NH2+][C@@H]2CCCC[C@H]2O)CCOCC1 ZINC000576718159 365668292 /nfs/dbraw/zinc/66/82/92/365668292.db2.gz UPQPHVFQSWIXBE-VXGBXAGGSA-N 1 0 243.347 0.669 10 0 BCAERO CCC(CC)[N@H+](C)C[C@H](O)Cn1cc(N)cn1 ZINC000036788526 168369011 /nfs/dbraw/zinc/36/90/11/168369011.db2.gz MFOOYYSZOAGELA-LBPRGKRZSA-N 1 0 240.351 0.947 10 0 BCAERO Cc1ccc(=O)n(C[C@@H]([NH3+])C(C)(C)C)n1 ZINC000061810443 178361198 /nfs/dbraw/zinc/36/11/98/178361198.db2.gz HVJAOVKLGALHBR-SECBINFHSA-N 1 0 209.293 0.925 10 0 BCAERO Cc1ccc(-n2nnnc2C[NH3+])c(F)c1 ZINC000054744625 178350329 /nfs/dbraw/zinc/35/03/29/178350329.db2.gz WWFHMGSYGBRTED-UHFFFAOYSA-N 1 0 207.212 0.569 10 0 BCAERO C[N@H+](CC1(O)CCOCC1)[C@@H]1CCC[C@@H]1O ZINC000162112997 349566537 /nfs/dbraw/zinc/56/65/37/349566537.db2.gz PXZUQHPLSWHKGY-MNOVXSKESA-N 1 0 229.320 0.373 10 0 BCAERO Cc1ccc(C(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)s1 ZINC000077452411 178381267 /nfs/dbraw/zinc/38/12/67/178381267.db2.gz IHMNMBAOTUAFPX-IUCAKERBSA-N 1 0 240.328 0.461 10 0 BCAERO CCC(CC)N(CCO)C(=O)[C@]1(C)CC[NH2+]C1 ZINC000062901982 168374090 /nfs/dbraw/zinc/37/40/90/168374090.db2.gz NVSYBYIESSHUEA-CYBMUJFWSA-N 1 0 242.363 0.996 10 0 BCAERO Cc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)n1C ZINC000235342829 178398009 /nfs/dbraw/zinc/39/80/09/178398009.db2.gz RDZKMGOJFMFSIH-PSASIEDQSA-N 1 0 221.304 0.753 10 0 BCAERO CCC(CC)[N@H+](CCOC)[C@H](C)C(N)=O ZINC000061679390 168375417 /nfs/dbraw/zinc/37/54/17/168375417.db2.gz PUACQNSGCWETIO-SECBINFHSA-N 1 0 216.325 0.997 10 0 BCAERO COc1cc(C)nc(N[C@@H](C)[C@H](C)[NH3+])n1 ZINC000381662972 398268872 /nfs/dbraw/zinc/26/88/72/398268872.db2.gz ARCZUWGNKRFDGL-YUMQZZPRSA-N 1 0 210.281 0.941 10 0 BCAERO O=C(N[C@H]1CC=CCC1)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188909487 346850772 /nfs/dbraw/zinc/85/07/72/346850772.db2.gz IMYBMKNNPLOQLX-LPEHRKFASA-N 1 0 212.268 0.911 10 0 BCAERO C[C@@H]1C[C@@H]([NH3+])CN1S(=O)(=O)C(C)(C)C ZINC000306644305 361828994 /nfs/dbraw/zinc/82/89/94/361828994.db2.gz ZDKVOSXBCXKCJW-HTQZYQBOSA-N 1 0 220.338 0.536 10 0 BCAERO C[C@@H]1C[C@H]([NH3+])CN1S(=O)(=O)C(C)(C)C ZINC000306644307 361829308 /nfs/dbraw/zinc/82/93/08/361829308.db2.gz ZDKVOSXBCXKCJW-SFYZADRCSA-N 1 0 220.338 0.536 10 0 BCAERO Cc1n[nH]cc1[C@@H](C)[NH2+][C@@H]1CCc2ncnn2C1 ZINC000180853322 538958725 /nfs/dbraw/zinc/95/87/25/538958725.db2.gz CVGWGSXDJZNBKS-PSASIEDQSA-N 1 0 246.318 0.975 10 0 BCAERO Cn1nccc1C[NH2+][C@H]1CCC[C@H](O)C1 ZINC000037166235 538961774 /nfs/dbraw/zinc/96/17/74/538961774.db2.gz BFUCXWAMCWJTMI-ONGXEEELSA-N 1 0 209.293 0.813 10 0 BCAERO C=CS(=O)(=O)N1CC[C@H]([NH+](C)C)[C@H]1C ZINC000306655025 361862511 /nfs/dbraw/zinc/86/25/11/361862511.db2.gz XFGGVANJAQYZGQ-BDAKNGLRSA-N 1 0 218.322 0.484 10 0 BCAERO CCC(CC)NC(=O)[C@H](C)[NH2+][C@@H](C)C(=O)NC ZINC000042563015 168383390 /nfs/dbraw/zinc/38/33/90/168383390.db2.gz ZZLTYLXDLMQLHE-IUCAKERBSA-N 1 0 243.351 0.404 10 0 BCAERO CC[S@@](=O)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000306657108 361866758 /nfs/dbraw/zinc/86/67/58/361866758.db2.gz JMTPVULFRDWCBB-AMIZOPFISA-N 1 0 204.339 0.729 10 0 BCAERO NC(NCc1ccccc1)=[NH+]N1CCOCC1 ZINC000306658208 361866776 /nfs/dbraw/zinc/86/67/76/361866776.db2.gz INCJSSGVFYZIOV-UHFFFAOYSA-N 1 0 234.303 0.548 10 0 BCAERO COC(=O)c1cncc(N[C@H](C)C[C@H](C)[NH3+])n1 ZINC000320413421 342733792 /nfs/dbraw/zinc/73/37/92/342733792.db2.gz WSYGNEKPGXOJAM-JGVFFNPUSA-N 1 0 238.291 0.801 10 0 BCAERO CCC(CC)NC(=O)[C@H](C)[NH2+][C@H]1CCN(C)C1 ZINC000042547182 168384956 /nfs/dbraw/zinc/38/49/56/168384956.db2.gz KRFBEYZLKBJRTH-JQWIXIFHSA-N 1 0 241.379 0.973 10 0 BCAERO CCOCCNC(=O)C[NH2+][C@H](C)[C@H]1CCCO1 ZINC000183221710 538965949 /nfs/dbraw/zinc/96/59/49/538965949.db2.gz GHEZVNYMVYVLOH-GHMZBOCLSA-N 1 0 244.335 0.296 10 0 BCAERO CCN(C)C(=O)[C@@H](C)NC[C@@H]1CCC[NH2+]C1 ZINC000231844310 342739964 /nfs/dbraw/zinc/73/99/64/342739964.db2.gz MQBFTKSGBZSCDA-GHMZBOCLSA-N 1 0 227.352 0.442 10 0 BCAERO CCN(C)C(=O)[C@@H](C)[NH2+]CC(C)(C)O ZINC000231852017 342740163 /nfs/dbraw/zinc/74/01/63/342740163.db2.gz WBHULQNKWDDADR-MRVPVSSYSA-N 1 0 202.298 0.214 10 0 BCAERO CCN(C)C(=O)[C@H](C)NC(=O)[C@@]1(C)CCC[NH2+]1 ZINC000231854024 342740183 /nfs/dbraw/zinc/74/01/83/342740183.db2.gz KVGBGPJUJWSYPZ-JOYOIKCWSA-N 1 0 241.335 0.112 10 0 BCAERO CCN(C)C(=O)[C@@H](C)NC(=O)[C@@]1(C)CCC[NH2+]1 ZINC000231854023 342740224 /nfs/dbraw/zinc/74/02/24/342740224.db2.gz KVGBGPJUJWSYPZ-BXKDBHETSA-N 1 0 241.335 0.112 10 0 BCAERO CCN(C)C(=O)[C@H](C)[NH2+]CC(C)(C)O ZINC000231852020 342740227 /nfs/dbraw/zinc/74/02/27/342740227.db2.gz WBHULQNKWDDADR-QMMMGPOBSA-N 1 0 202.298 0.214 10 0 BCAERO [NH3+]Cc1ccc(Sc2nc[nH]n2)nc1 ZINC000035720038 342757999 /nfs/dbraw/zinc/75/79/99/342757999.db2.gz WOCLHZZZWAVVPE-UHFFFAOYSA-N 1 0 207.262 0.810 10 0 BCAERO C[C@@H]1C[N@H+](CCC(N)=S)[C@H](C)CO1 ZINC000035786411 342759160 /nfs/dbraw/zinc/75/91/60/342759160.db2.gz RJRBZVIBPNOZKD-HTQZYQBOSA-N 1 0 202.323 0.772 10 0 BCAERO CN1CCN(c2ncc3n2CC[NH+]=C3)CC1 ZINC000145634511 342761330 /nfs/dbraw/zinc/76/13/30/342761330.db2.gz PQRXPRKQJCIBDN-UHFFFAOYSA-N 1 0 219.292 0.067 10 0 BCAERO F[C@@H]1COCC[C@@H]1NC1CC[NH2+]CC1 ZINC000146016333 342764622 /nfs/dbraw/zinc/76/46/22/342764622.db2.gz CQVABQWSZBOBLN-ZJUUUORDSA-N 1 0 202.273 0.455 10 0 BCAERO C[N@@H+]1CC[C@H](N2C(=O)c3ccccc3C2=O)C1 ZINC000146890055 342773127 /nfs/dbraw/zinc/77/31/27/342773127.db2.gz LTYAOFAWBZSFJA-VIFPVBQESA-N 1 0 230.267 0.987 10 0 BCAERO C[NH2+]Cc1cc(C#N)n(CC(F)F)n1 ZINC000147879468 342782932 /nfs/dbraw/zinc/78/29/32/342782932.db2.gz ITWQUVGNASJDBY-UHFFFAOYSA-N 1 0 200.192 0.739 10 0 BCAERO CCN1C[C@H](NC(=O)[C@H]([NH3+])CC(C)C)CC1=O ZINC000391590963 398284779 /nfs/dbraw/zinc/28/47/79/398284779.db2.gz ZKRXNQFMYJNTES-NXEZZACHSA-N 1 0 241.335 0.097 10 0 BCAERO COC(=O)C1=C(O)CC(C)(C)[NH2+]C1(C)C ZINC000035645951 342803385 /nfs/dbraw/zinc/80/33/85/342803385.db2.gz FZQMQLOFIFWFQC-MRVPVSSYSA-N 1 0 213.277 0.895 10 0 in-vitro BCAERO C[C@@H]([NH3+])CCNC(=O)CCOCC(F)F ZINC000232336561 342810943 /nfs/dbraw/zinc/81/09/43/342810943.db2.gz ILNUOAZKNFKJEK-SSDOTTSWSA-N 1 0 224.251 0.512 10 0 BCAERO CCc1cc(N[C@H]2CCOC[C@H]2O)cc[nH+]1 ZINC000624687731 342816548 /nfs/dbraw/zinc/81/65/48/342816548.db2.gz XEAQOKAPWWLWOT-NWDGAFQWSA-N 1 0 222.288 0.628 10 0 BCAERO COC[C@H](C)C[NH2+]C[C@@H](C)N1CCOCC1 ZINC000187644055 538976366 /nfs/dbraw/zinc/97/63/66/538976366.db2.gz VUAOUEYONFGMNW-VXGBXAGGSA-N 1 0 230.352 0.579 10 0 BCAERO COC[C@@H](C)C[NH2+]C[C@H](C)N1CCOCC1 ZINC000187644068 538976504 /nfs/dbraw/zinc/97/65/04/538976504.db2.gz VUAOUEYONFGMNW-RYUDHWBXSA-N 1 0 230.352 0.579 10 0 BCAERO C[C@@H](C[NH2+]CC1(F)CC1)N1CCOCC1 ZINC000380149656 538986518 /nfs/dbraw/zinc/98/65/18/538986518.db2.gz XMNZRSSQEYYDLI-JTQLQIEISA-N 1 0 216.300 0.799 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)NCc1cocn1 ZINC000382380477 361927469 /nfs/dbraw/zinc/92/74/69/361927469.db2.gz JFXAVMBSEYSZER-VXNVDRBHSA-N 1 0 209.249 0.146 10 0 BCAERO CC(C)(C)[C@@H](O)C[N@@H+]1CCOC[C@H]1CO ZINC000379931462 538981981 /nfs/dbraw/zinc/98/19/81/538981981.db2.gz WFOWSAWKMRZKCW-ZJUUUORDSA-N 1 0 217.309 0.087 10 0 BCAERO O=S(=O)(C1CC[NH2+]CC1)N1CCCCC1 ZINC000049632200 539009501 /nfs/dbraw/zinc/00/95/01/539009501.db2.gz IBYFOZCCMCDMLK-UHFFFAOYSA-N 1 0 232.349 0.554 10 0 BCAERO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1S(N)(=O)=O ZINC000050349829 539010259 /nfs/dbraw/zinc/01/02/59/539010259.db2.gz FUFSBTQTPLWWLR-BWZBUEFSSA-N 1 0 206.311 0.004 10 0 BCAERO C[C@H](CCCCO)[NH2+]C[C@@H]1CN(C)CCO1 ZINC000381035083 538994705 /nfs/dbraw/zinc/99/47/05/538994705.db2.gz BDLAULDVTANXSC-VXGBXAGGSA-N 1 0 230.352 0.458 10 0 BCAERO CC[N@@H+]1C[C@@H](C)[C@@H](Nc2cncc(C)n2)C1 ZINC000381345983 538998555 /nfs/dbraw/zinc/99/85/55/538998555.db2.gz ZANYCHSTIPULEK-KOLCDFICSA-N 1 0 220.320 0.959 10 0 BCAERO C[C@@H]1C[C@@H](CNC(=O)[C@@H]2CC[NH2+]C2)CCO1 ZINC000388981414 398295978 /nfs/dbraw/zinc/29/59/78/398295978.db2.gz OATUCAWQUJIJMX-OUAUKWLOSA-N 1 0 226.320 0.527 10 0 BCAERO C[C@H](CC(N)=O)[NH2+][C@H]1CCc2nccn2C1 ZINC000381373904 538999359 /nfs/dbraw/zinc/99/93/59/538999359.db2.gz IIYLZZOZLWLQFA-BDAKNGLRSA-N 1 0 222.292 0.051 10 0 BCAERO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)[C@H]1CCCO1 ZINC000166389589 398299542 /nfs/dbraw/zinc/29/95/42/398299542.db2.gz PSVBOGVZYDFCFU-OUAUKWLOSA-N 1 0 226.320 0.799 10 0 BCAERO COC[C@H](C)[NH2+]CC(=O)N1CCC[C@H](C)C1 ZINC000390618193 539026662 /nfs/dbraw/zinc/02/66/62/539026662.db2.gz HOWIWWCKJXFMII-QWRGUYRKSA-N 1 0 228.336 0.869 10 0 BCAERO C[NH+](C)C[C@H]1COC[C@H]1N1CCC(CO)CC1 ZINC000725273978 539026872 /nfs/dbraw/zinc/02/68/72/539026872.db2.gz ZVEUBSAZMHRTCB-QWHCGFSZSA-N 1 0 242.363 0.267 10 0 BCAERO CC[NH2+][C@H](C(N)=O)[C@@H](C)n1cc(C)cn1 ZINC000710700850 539028341 /nfs/dbraw/zinc/02/83/41/539028341.db2.gz GVEREBJOPHSGFQ-BDAKNGLRSA-N 1 0 210.281 0.216 10 0 BCAERO CCC[C@H](C[NH3+])[C@H](O)c1csnn1 ZINC000388214458 539014486 /nfs/dbraw/zinc/01/44/86/539014486.db2.gz WJHIZNLBIZVWCM-SVRRBLITSA-N 1 0 201.295 0.947 10 0 BCAERO O=C(N[C@@H]1CCC[C@H](O)C1)[C@@H]1CCC[NH2+]1 ZINC000037000939 398298385 /nfs/dbraw/zinc/29/83/85/398298385.db2.gz FUCGFLITDNYGND-UTLUCORTSA-N 1 0 212.293 0.158 10 0 BCAERO C[C@H]1OCC[C@@]1([NH2+]C1CCCC1)C(N)=O ZINC000134418847 342841554 /nfs/dbraw/zinc/84/15/54/342841554.db2.gz IYLQVGRUIMKPER-KCJUWKMLSA-N 1 0 212.293 0.552 10 0 BCAERO CC(C)OC1CC([NH2+][C@@H]2CCNC2=O)C1 ZINC000389974456 539019541 /nfs/dbraw/zinc/01/95/41/539019541.db2.gz DQTUGEYXAOTMRY-UDNWOFFPSA-N 1 0 212.293 0.421 10 0 BCAERO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)[C@H]1CCCO1 ZINC000166389699 398299792 /nfs/dbraw/zinc/29/97/92/398299792.db2.gz PSVBOGVZYDFCFU-GMTAPVOTSA-N 1 0 226.320 0.799 10 0 BCAERO C[NH2+]C(C)(C)C(=O)N[C@@H]1CCO[C@@H]1C ZINC000134549640 342864399 /nfs/dbraw/zinc/86/43/99/342864399.db2.gz PEIVAMOCHUCLBT-HTQZYQBOSA-N 1 0 200.282 0.278 10 0 BCAERO CCn1ncnc1C[C@@H]1CSC[C@@H]1[NH3+] ZINC000134572252 342868805 /nfs/dbraw/zinc/86/88/05/342868805.db2.gz PSIDKNUQDHSGOV-SFYZADRCSA-N 1 0 212.322 0.531 10 0 BCAERO Cc1cc(C[C@@H]2CSC[C@@H]2[NH3+])n(C)n1 ZINC000134577557 342869731 /nfs/dbraw/zinc/86/97/31/342869731.db2.gz BLRCTEYTBOYNKW-SCZZXKLOSA-N 1 0 211.334 0.961 10 0 BCAERO CCC[C@@H](C[NH2+]C[C@@H]1CN(C)CCO1)OC ZINC000382150478 398307937 /nfs/dbraw/zinc/30/79/37/398307937.db2.gz PKTMYGZDBQTOQE-NWDGAFQWSA-N 1 0 230.352 0.722 10 0 BCAERO CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H](C)CO)C1 ZINC000359136785 342873897 /nfs/dbraw/zinc/87/38/97/342873897.db2.gz KZLQWUGZQMIBKB-UWVGGRQHSA-N 1 0 229.324 0.151 10 0 BCAERO CN([C@H]1CCOC1)[C@]1(C[NH3+])CCSC1 ZINC000134654506 342875414 /nfs/dbraw/zinc/87/54/14/342875414.db2.gz LIVPOPRVZADZAF-UWVGGRQHSA-N 1 0 216.350 0.542 10 0 BCAERO C[C@@H]([NH3+])[C@@H](C)C(=O)NC1CCOCC1 ZINC000165164479 342879162 /nfs/dbraw/zinc/87/91/62/342879162.db2.gz PWACEBJYHKIOBE-HTQZYQBOSA-N 1 0 200.282 0.265 10 0 BCAERO C[C@H]1OCC[C@@H]1N(C)C(=O)C(C)(C)[NH3+] ZINC000134679553 342876215 /nfs/dbraw/zinc/87/62/15/342876215.db2.gz QTAKKCXLSZXUNJ-SFYZADRCSA-N 1 0 200.282 0.360 10 0 BCAERO C[C@@H]([NH3+])[C@@H](C)CN1CCS(=O)CC1 ZINC000165120010 342876336 /nfs/dbraw/zinc/87/63/36/342876336.db2.gz SFKGWDFJIUFDLY-DTWKUNHWSA-N 1 0 204.339 0.034 10 0 BCAERO C[C@H]1[NH2+]CC[C@H]1C(=O)NOC(C)(C)C ZINC000134507710 342859595 /nfs/dbraw/zinc/85/95/95/342859595.db2.gz SNJJGRIBLPGTKF-HTQZYQBOSA-N 1 0 200.282 0.831 10 0 BCAERO C[C@@H]([NH3+])Cn1ncc2ccc3c(c21)C[C@H](O)CO3 ZINC000138503859 342899563 /nfs/dbraw/zinc/89/95/63/342899563.db2.gz CMXWVAVWKSWVHD-SCZZXKLOSA-N 1 0 247.298 0.679 10 0 BCAERO [NH3+]C1(c2csc(-c3cn[nH]n3)n2)CC1 ZINC000165242137 342889180 /nfs/dbraw/zinc/88/91/80/342889180.db2.gz MPGDCUYPOYOAFM-UHFFFAOYSA-N 1 0 207.262 0.876 10 0 BCAERO C[C@@H]1CC[NH2+][C@@H](C(=O)N[C@@H]2CCCOC2)C1 ZINC000167442789 136245963 /nfs/dbraw/zinc/24/59/63/136245963.db2.gz QNPJXMBEQFKSKG-GMTAPVOTSA-N 1 0 226.320 0.670 10 0 BCAERO C[C@H]1C[C@@H]([N@H+](C)C(C)(C)CO)CN1C ZINC000134874388 342913545 /nfs/dbraw/zinc/91/35/45/342913545.db2.gz WKTCTSHLQMLGJD-VHSXEESVSA-N 1 0 200.326 0.782 10 0 BCAERO CCOC(=O)COCC[NH2+][C@@H]1CCCC[C@H]1O ZINC000233680610 342911739 /nfs/dbraw/zinc/91/17/39/342911739.db2.gz NYRDKNYILQAVKV-GHMZBOCLSA-N 1 0 245.319 0.459 10 0 BCAERO CCOC[C@H](NC(=O)[C@@H](C)[NH2+]C)C(C)C ZINC000233753994 342912483 /nfs/dbraw/zinc/91/24/83/342912483.db2.gz SUYXYTYYMMIXCJ-ZJUUUORDSA-N 1 0 216.325 0.772 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N1CCOC(C)(C)C1 ZINC000036873452 342913371 /nfs/dbraw/zinc/91/33/71/342913371.db2.gz XEWMTJQVIZCWIC-VIFPVBQESA-N 1 0 214.309 0.751 10 0 BCAERO C[C@H]1C[NH2+]CCN1C[C@H]1CCOCO1 ZINC000134846113 342901558 /nfs/dbraw/zinc/90/15/58/342901558.db2.gz RYNXWDXPLBIING-VHSXEESVSA-N 1 0 200.282 0.043 10 0 BCAERO CCC[C@@H]1C[C@H]1[NH2+]C[C@@H](O)COCCOC ZINC000233306632 342902117 /nfs/dbraw/zinc/90/21/17/342902117.db2.gz IBSFRQBDMKHTIS-IJLUTSLNSA-N 1 0 231.336 0.789 10 0 BCAERO CCOC(=O)[C@@H]1CC2(C[NH2+]1)CCOCC2 ZINC000116184182 342922405 /nfs/dbraw/zinc/92/24/05/342922405.db2.gz QGJYLBTZMNNGKL-VIFPVBQESA-N 1 0 213.277 0.708 10 0 BCAERO C[NH2+][C@@H](C)C(=O)N1CCC([C@@H](C)O)CC1 ZINC000234420732 342924777 /nfs/dbraw/zinc/92/47/77/342924777.db2.gz JTNHEWGYMJVBOD-DTWKUNHWSA-N 1 0 214.309 0.214 10 0 BCAERO C[NH2+][C@H](C)C(=O)N1CCC([C@H](C)O)CC1 ZINC000234425936 342925271 /nfs/dbraw/zinc/92/52/71/342925271.db2.gz JTNHEWGYMJVBOD-BDAKNGLRSA-N 1 0 214.309 0.214 10 0 BCAERO C[NH2+][C@H](C)C(=O)N1CCC[C@H](COC)C1 ZINC000234426397 342925316 /nfs/dbraw/zinc/92/53/16/342925316.db2.gz QMFXESFLMCYDRK-ZJUUUORDSA-N 1 0 214.309 0.479 10 0 BCAERO C[NH2+][C@H](C)C(=O)N1CCC[C@@H](COC)C1 ZINC000234426251 342925378 /nfs/dbraw/zinc/92/53/78/342925378.db2.gz QMFXESFLMCYDRK-NXEZZACHSA-N 1 0 214.309 0.479 10 0 BCAERO C[C@@H]1C(=O)NCCC[N@H+]1CCc1cccnc1 ZINC000189335907 346871542 /nfs/dbraw/zinc/87/15/42/346871542.db2.gz NDIDVVGHHONXEQ-LLVKDONJSA-N 1 0 233.315 0.835 10 0 BCAERO COC(=O)[C@H](C)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261536761 536631287 /nfs/dbraw/zinc/63/12/87/536631287.db2.gz SVBMWEGJIGFTAR-AATLWQCWSA-N 1 0 212.293 0.217 10 0 BCAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)C[C@H](C)[NH3+] ZINC000037476477 398327894 /nfs/dbraw/zinc/32/78/94/398327894.db2.gz GJZVNCCAQGAHGF-WDEREUQCSA-N 1 0 229.368 0.816 10 0 BCAERO O=C(C[NH2+]CC1CC1)N[C@H]1CCC[C@H](O)C1 ZINC000037478449 398328469 /nfs/dbraw/zinc/32/84/69/398328469.db2.gz GIDFOASYNRGXPC-QWRGUYRKSA-N 1 0 226.320 0.406 10 0 BCAERO NC(=O)[C@H]([NH3+])CCCc1ccc(O)cc1 ZINC000116595771 342929583 /nfs/dbraw/zinc/92/95/83/342929583.db2.gz IKBXPHRAOXFCDP-SNVBAGLBSA-N 1 0 208.261 0.528 10 0 BCAERO C[NH2+]CCCC(=O)NCC[C@H]1CCCO1 ZINC000038097084 398336087 /nfs/dbraw/zinc/33/60/87/398336087.db2.gz HAAOAQPTZNLGOB-SNVBAGLBSA-N 1 0 214.309 0.671 10 0 BCAERO COC[C@@H](C[NH2+][C@@H]1CCCC[C@H]1O)OC ZINC000234751445 342939834 /nfs/dbraw/zinc/93/98/34/342939834.db2.gz SLXSXCRWEHKMMV-GMTAPVOTSA-N 1 0 217.309 0.541 10 0 BCAERO COC[C@H]([NH3+])C(=O)NC[C@@H](C)c1nccs1 ZINC000234728919 342940662 /nfs/dbraw/zinc/94/06/62/342940662.db2.gz GKKPYWGWKHTGIG-SFYZADRCSA-N 1 0 243.332 0.337 10 0 BCAERO COC(=O)C1CC[NH+](CC(C)(C)O)CC1 ZINC000037693509 342940883 /nfs/dbraw/zinc/94/08/83/342940883.db2.gz XALDSTOVSSLVCZ-UHFFFAOYSA-N 1 0 215.293 0.642 10 0 BCAERO CN(C)C(=O)CN(C)C(=O)C1CCC([NH3+])CC1 ZINC000037626153 398333311 /nfs/dbraw/zinc/33/33/11/398333311.db2.gz RHICUPXLZHATMA-UHFFFAOYSA-N 1 0 241.335 0.051 10 0 BCAERO C[C@@H](NC(=O)C1CCC([NH3+])CC1)C(=O)N(C)C ZINC000037626358 398333316 /nfs/dbraw/zinc/33/33/16/398333316.db2.gz BZTQUIIVECHEFZ-XNWIYYODSA-N 1 0 241.335 0.097 10 0 BCAERO COC[C@H](C)[NH2+]C[C@H](O)COC[C@@H]1CCCO1 ZINC000037847462 398334865 /nfs/dbraw/zinc/33/48/65/398334865.db2.gz NCNLLDBUIDYUKH-SRVKXCTJSA-N 1 0 247.335 0.167 10 0 BCAERO COC[C@H](C)[NH2+]C[C@@H](O)COC[C@@H]1CCCO1 ZINC000037847464 398334947 /nfs/dbraw/zinc/33/49/47/398334947.db2.gz NCNLLDBUIDYUKH-TUAOUCFPSA-N 1 0 247.335 0.167 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)NCc1ccc(=O)[nH]c1 ZINC000392710737 398335001 /nfs/dbraw/zinc/33/50/01/398335001.db2.gz KQKRJUOSURLQNK-SNVBAGLBSA-N 1 0 237.303 0.777 10 0 BCAERO C[NH2+]CCN(C)c1nccn2nc(C)cc12 ZINC000156925950 398339908 /nfs/dbraw/zinc/33/99/08/398339908.db2.gz LKKRQWYUNSJKPX-UHFFFAOYSA-N 1 0 219.292 0.693 10 0 BCAERO CSC[C@@H](O)C[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000187728555 259332898 /nfs/dbraw/zinc/33/28/98/259332898.db2.gz LVMFSACDTMRGIU-VHSXEESVSA-N 1 0 246.376 0.263 10 0 BCAERO COc1cc(C)nc(N2CC[C@@H]([NH3+])[C@H]2C)n1 ZINC000261580155 536699793 /nfs/dbraw/zinc/69/97/93/536699793.db2.gz MSEGAPMSHSBMFI-RKDXNWHRSA-N 1 0 222.292 0.720 10 0 BCAERO CCC12CN3CC(CC)(C[NH+](C1)CC3)C2=O ZINC000020581247 342991704 /nfs/dbraw/zinc/99/17/04/342991704.db2.gz ZIRNJHMNKQCJHC-UHFFFAOYSA-N 1 0 222.332 0.993 10 0 BCAERO C[C@@H](O)C1CCN(C(=O)C2([NH3+])CCC2)CC1 ZINC000235257896 342999749 /nfs/dbraw/zinc/99/97/49/342999749.db2.gz AEGMNEQOUCNLST-SECBINFHSA-N 1 0 226.320 0.487 10 0 BCAERO Cc1cnn(CCNC(=O)[C@@H]2CC[NH2+][C@H]2C)c1 ZINC000235282958 343000471 /nfs/dbraw/zinc/00/04/71/343000471.db2.gz VFMXMCKMDFXYHI-WDEREUQCSA-N 1 0 236.319 0.306 10 0 BCAERO NC(=O)CN1CC=C(c2ccccc2N)CC1 ZINC000117964963 343026680 /nfs/dbraw/zinc/02/66/80/343026680.db2.gz DDJIXIDWKVYYGH-UHFFFAOYSA-N 1 0 231.299 0.843 10 0 BCAERO Cc1cnc(C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)cn1 ZINC000235379216 343011343 /nfs/dbraw/zinc/01/13/43/343011343.db2.gz ZRSKQDKYUCDKSI-VXNVDRBHSA-N 1 0 220.276 0.204 10 0 BCAERO CC(C)[C@H](O)C[NH2+]C[C@H](O)C(C)(C)C ZINC000308542446 259340181 /nfs/dbraw/zinc/34/01/81/259340181.db2.gz NBXROGHCRKDOQC-ZJUUUORDSA-N 1 0 203.326 1.000 10 0 BCAERO CC(C)(C)[C@H](C[NH3+])N1CCC(O)CC1 ZINC000043291487 343039946 /nfs/dbraw/zinc/03/99/46/343039946.db2.gz AWDCWVYJAPAGIO-JTQLQIEISA-N 1 0 200.326 0.817 10 0 BCAERO NC(=O)CC[NH2+][C@@H]1CCCC[C@H]1CO ZINC000231311412 488196322 /nfs/dbraw/zinc/19/63/22/488196322.db2.gz JUASKPPSBAAGCC-DTWKUNHWSA-N 1 0 200.282 0.003 10 0 BCAERO C[C@@]1(C(=O)NCC2C[NH2+]C2)CC1(Cl)Cl ZINC000307384925 352535098 /nfs/dbraw/zinc/53/50/98/352535098.db2.gz JDMWQBNFNIIAIO-QMMMGPOBSA-N 1 0 237.130 0.906 10 0 BCAERO C[C@@H]1C[C@H](NC(=O)[C@@H]2CC[NH2+]C2)CCO1 ZINC000235436925 343036042 /nfs/dbraw/zinc/03/60/42/343036042.db2.gz DXLSTLIYCPLNQV-OPRDCNLKSA-N 1 0 212.293 0.280 10 0 BCAERO Cc1ccc(C(=O)N2C[C@H]([NH3+])[C@@H](C)C2)c(=O)[nH]1 ZINC000235631775 343054863 /nfs/dbraw/zinc/05/48/63/343054863.db2.gz RKFLDMGLGFCWSB-XVKPBYJWSA-N 1 0 235.287 0.103 10 0 BCAERO C[C@H]1C[C@H](NC(=O)[C@@H]2CCCO2)CC[NH2+]1 ZINC000235717005 343058251 /nfs/dbraw/zinc/05/82/51/343058251.db2.gz JSFQPDXXCJQRIK-AEJSXWLSSA-N 1 0 212.293 0.422 10 0 BCAERO Cc1cnn(CCNC(=O)C(C)(C)C[NH3+])c1 ZINC000235802614 343064084 /nfs/dbraw/zinc/06/40/84/343064084.db2.gz OMHZVVIPLMGILL-UHFFFAOYSA-N 1 0 224.308 0.293 10 0 BCAERO NC(=S)CC[N@@H+]1CCO[C@@H]2CCC[C@H]21 ZINC000043425443 343066877 /nfs/dbraw/zinc/06/68/77/343066877.db2.gz BQFBXWOFXCAFGN-RKDXNWHRSA-N 1 0 214.334 0.916 10 0 BCAERO COc1cc([C@H]([NH3+])CO)ccc1OC(C)=O ZINC000072198517 343069306 /nfs/dbraw/zinc/06/93/06/343069306.db2.gz HTHMOEXGJIDVAW-SECBINFHSA-N 1 0 225.244 0.613 10 0 BCAERO Cc1[nH]nc(Cl)c1C=NNC(N)=[NH2+] ZINC000379354157 343079537 /nfs/dbraw/zinc/07/95/37/343079537.db2.gz HPXNJQXQFGHBOM-UHFFFAOYSA-N 1 0 200.633 0.188 10 0 BCAERO CC[NH+]1CCC(N(C)C(N)=S)CC1 ZINC000042680369 362017070 /nfs/dbraw/zinc/01/70/70/362017070.db2.gz MRSWFCAUKDUZGB-UHFFFAOYSA-N 1 0 201.339 0.646 10 0 BCAERO CC(=O)CC[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000106176753 259349289 /nfs/dbraw/zinc/34/92/89/259349289.db2.gz FWGOPHGVNHHKFB-LBPRGKRZSA-N 1 0 236.319 0.969 10 0 BCAERO CC(C)N(C)c1cc2c(nn1)CC[NH2+]C2 ZINC000584881323 343082418 /nfs/dbraw/zinc/08/24/18/343082418.db2.gz HESMBMICEFVPOC-UHFFFAOYSA-N 1 0 206.293 0.967 10 0 BCAERO O=C(N[C@H]1CCC[C@@H](O)C1)[C@H]1CC[NH2+]C1 ZINC000309535049 343078159 /nfs/dbraw/zinc/07/81/59/343078159.db2.gz WWGAIBPYRKYLQQ-LPEHRKFASA-N 1 0 212.293 0.016 10 0 BCAERO CC(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCNC1=O ZINC000336687900 187231563 /nfs/dbraw/zinc/23/15/63/187231563.db2.gz VKIIDPKMZYYAPE-AXFHLTTASA-N 1 0 226.320 0.526 10 0 BCAERO COc1cc(OC)nc(NCCC[NH3+])n1 ZINC000168430931 136267967 /nfs/dbraw/zinc/26/79/67/136267967.db2.gz KDGDIBXEQWYDQJ-UHFFFAOYSA-N 1 0 212.253 0.255 10 0 BCAERO CC1(C)C[C@H]1[NH2+]C1CCS(=O)(=O)CC1 ZINC000045116982 187232103 /nfs/dbraw/zinc/23/21/03/187232103.db2.gz MGIHSSFNMACKQB-SECBINFHSA-N 1 0 217.334 0.952 10 0 BCAERO C[C@H](C(=O)N1CCCC1)N1CCC[NH2+]CC1 ZINC000026515126 343106550 /nfs/dbraw/zinc/10/65/50/343106550.db2.gz VJRRZVGILJFQGQ-LLVKDONJSA-N 1 0 225.336 0.293 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)N(C)CC1CCOCC1 ZINC000082545460 362056910 /nfs/dbraw/zinc/05/69/10/362056910.db2.gz RWXVZUAGTVMRKX-LLVKDONJSA-N 1 0 228.336 0.999 10 0 BCAERO C[NH2+][C@H](C)C(=O)N(C)C[C@@H]1CCCOC1 ZINC000082545369 362057587 /nfs/dbraw/zinc/05/75/87/362057587.db2.gz YSCPKCGDXOUMEF-ZJUUUORDSA-N 1 0 214.309 0.479 10 0 BCAERO COC(=O)CCCC[N@@H+]1CC[C@@H](N(C)C)C1 ZINC000602890476 349795508 /nfs/dbraw/zinc/79/55/08/349795508.db2.gz MUFWOIGVDBKWIU-LLVKDONJSA-N 1 0 228.336 0.966 10 0 BCAERO COC(=O)CCCN1CC[N@@H+]2CCC[C@H]2C1 ZINC000246919883 343122827 /nfs/dbraw/zinc/12/28/27/343122827.db2.gz HUOGBKLQKMFDQB-NSHDSACASA-N 1 0 226.320 0.720 10 0 BCAERO CC[C@@H](C(N)=S)[N@@H+]1CCC[C@H](O)C1 ZINC000043540214 343132619 /nfs/dbraw/zinc/13/26/19/343132619.db2.gz LRUPCNKIGNJZCV-YUMQZZPRSA-N 1 0 202.323 0.508 10 0 BCAERO CCOC(=O)CC[C@H]1CC[C@H](C(=O)OC)C[NH2+]1 ZINC000145425637 343179850 /nfs/dbraw/zinc/17/98/50/343179850.db2.gz UIIQYITZAOQOIK-VHSXEESVSA-N 1 0 243.303 0.871 10 0 BCAERO CC(C)(C(=O)Nc1ccncc1)N1CC[NH2+]CC1 ZINC000131199842 343183101 /nfs/dbraw/zinc/18/31/01/343183101.db2.gz IQVQVAZNQGVBPG-UHFFFAOYSA-N 1 0 248.330 0.704 10 0 BCAERO CCCCN(C)C(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000131193760 343183387 /nfs/dbraw/zinc/18/33/87/343183387.db2.gz DKKNVIWDOTXTMG-UHFFFAOYSA-N 1 0 241.379 0.929 10 0 BCAERO Cc1nsc(NC(=O)[C@@H]2CC[NH2+]C2)n1 ZINC000131771189 343184471 /nfs/dbraw/zinc/18/44/71/343184471.db2.gz JMSUAFJWSTTXST-ZCFIWIBFSA-N 1 0 212.278 0.395 10 0 BCAERO C[NH+](C)CCN1C(=O)N[C@@H](c2ccccc2)C1=O ZINC000096776681 343155318 /nfs/dbraw/zinc/15/53/18/343155318.db2.gz NWVZSXJPKAIQMC-NSHDSACASA-N 1 0 247.298 0.841 10 0 BCAERO COC(=O)c1ccc(N2CCC[NH2+]CC2)nc1C ZINC000124056430 343166726 /nfs/dbraw/zinc/16/67/26/343166726.db2.gz XPMVYIMSVJJKQT-UHFFFAOYSA-N 1 0 249.314 0.976 10 0 BCAERO C[C@H]1CC[C@H](C[NH2+]CC2(O)CCOCC2)O1 ZINC000148814537 343196017 /nfs/dbraw/zinc/19/60/17/343196017.db2.gz HBUWYKDWZIKZKQ-WDEREUQCSA-N 1 0 229.320 0.685 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N(C)c1ccc(OC)cc1 ZINC000159876063 343203113 /nfs/dbraw/zinc/20/31/13/343203113.db2.gz MRINXTJYYFJDRX-LLVKDONJSA-N 1 0 238.287 0.632 10 0 BCAERO NC(=O)[C@]1(O)CCC[N@H+](Cc2ccsc2)C1 ZINC000309208639 136274935 /nfs/dbraw/zinc/27/49/35/136274935.db2.gz NDDKRNBILZGWFF-NSHDSACASA-N 1 0 240.328 0.560 10 0 BCAERO CCC[C@@H](O)CNC(=O)[C@]1(C)CCCC[NH2+]1 ZINC000163698493 343207210 /nfs/dbraw/zinc/20/72/10/343207210.db2.gz KOCYUPNYUWHQFA-PWSUYJOCSA-N 1 0 228.336 0.796 10 0 BCAERO COc1c(CN(C)CCC[NH3+])c(C)nn1C ZINC000166661522 343208086 /nfs/dbraw/zinc/20/80/86/343208086.db2.gz CQWZSTAPYIFOAT-UHFFFAOYSA-N 1 0 226.324 0.518 10 0 BCAERO CC[NH2+]CCCNc1cnn(C)c(=O)c1Cl ZINC000167899153 343209462 /nfs/dbraw/zinc/20/94/62/343209462.db2.gz VNCKCBCQBPXDAU-UHFFFAOYSA-N 1 0 244.726 0.845 10 0 BCAERO C[NH2+]CCNc1ccc(C(=O)OC)c(C)n1 ZINC000133914722 343186361 /nfs/dbraw/zinc/18/63/61/343186361.db2.gz YZYMFHVABVPOAV-UHFFFAOYSA-N 1 0 223.276 0.808 10 0 BCAERO Cc1nsc(NC(=O)[C@@H]2CC[C@H]([NH3+])C2)n1 ZINC000131794168 343186830 /nfs/dbraw/zinc/18/68/30/343186830.db2.gz GKPMMHYMQIKGLA-RQJHMYQMSA-N 1 0 226.305 0.912 10 0 BCAERO Cc1nsc(NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)n1 ZINC000131794577 343186951 /nfs/dbraw/zinc/18/69/51/343186951.db2.gz GKPMMHYMQIKGLA-RNFRBKRXSA-N 1 0 226.305 0.912 10 0 BCAERO c1cnc2nc(NC[C@@H]3C[NH2+]CCO3)ccc2n1 ZINC000134265626 343193614 /nfs/dbraw/zinc/19/36/14/343193614.db2.gz ITXQYMDONJCMJJ-VIFPVBQESA-N 1 0 245.286 0.425 10 0 BCAERO CCOC(=O)c1cnc(N(C)CC[NH3+])nc1C ZINC000134314941 343194538 /nfs/dbraw/zinc/19/45/38/343194538.db2.gz CYDZGVZBGFRVJR-UHFFFAOYSA-N 1 0 238.291 0.357 10 0 BCAERO O=C(NC[C@H]1CC[NH2+]C1)[C@H]1CCCOC1 ZINC000087654593 136282121 /nfs/dbraw/zinc/28/21/21/136282121.db2.gz RLONHWRLLZMQDL-UWVGGRQHSA-N 1 0 212.293 0.139 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)O1 ZINC000310115108 343288229 /nfs/dbraw/zinc/28/82/29/343288229.db2.gz RXKAJIJCPIYZHX-NQBHXWOUSA-N 1 0 238.331 0.766 10 0 BCAERO CSCCCNC(=O)[C@@H]1C[NH2+]C[C@@H]1C ZINC000069013860 343256684 /nfs/dbraw/zinc/25/66/84/343256684.db2.gz WRLKLFURGUWWLH-DTWKUNHWSA-N 1 0 216.350 0.711 10 0 BCAERO [NH3+][C@@H]1COC[C@@H]1C(=O)Cc1cncs1 ZINC000226611095 343262362 /nfs/dbraw/zinc/26/23/62/343262362.db2.gz YNVJCAUHNXKKSJ-JGVFFNPUSA-N 1 0 212.274 0.228 10 0 BCAERO CN(CCn1cccn1)C(=O)[C@@]1(C)CCC[NH2+]1 ZINC000121569879 343267961 /nfs/dbraw/zinc/26/79/61/343267961.db2.gz LCWDDWQLJAQOGK-GFCCVEGCSA-N 1 0 236.319 0.484 10 0 BCAERO NC(=O)[C@H]([NH3+])Cc1ccccc1Br ZINC000034769954 343278383 /nfs/dbraw/zinc/27/83/83/343278383.db2.gz LJKGABAVUJWWGG-MRVPVSSYSA-N 1 0 243.104 0.804 10 0 BCAERO C[C@H]1CC[N@H+](CC2(O)CCC2)C[C@@H]1CO ZINC000621366208 343279648 /nfs/dbraw/zinc/27/96/48/343279648.db2.gz HLKBYNLCNRHFFS-WDEREUQCSA-N 1 0 213.321 0.852 10 0 BCAERO CC(=O)Nc1ccccc1OC[C@H](O)C[NH3+] ZINC000022171461 187254858 /nfs/dbraw/zinc/25/48/58/187254858.db2.gz CIWKIBUISKVBIR-SECBINFHSA-N 1 0 224.260 0.343 10 0 BCAERO CC(C)C[C@@H]([NH3+])C(=O)NCc1cn[nH]c1 ZINC000038006636 187254982 /nfs/dbraw/zinc/25/49/82/187254982.db2.gz CNBORYMEFRHFFV-SECBINFHSA-N 1 0 210.281 0.399 10 0 BCAERO C([NH2+]C[C@H]1COCCO1)[C@H]1CCCO1 ZINC000038061942 187255331 /nfs/dbraw/zinc/25/53/31/187255331.db2.gz YZDPVGVCDFTZLF-ZJUUUORDSA-N 1 0 201.266 0.170 10 0 BCAERO C[C@@H](NC(=O)[C@H](C)[NH3+])c1ccc(N)cc1 ZINC000166019435 343301278 /nfs/dbraw/zinc/30/12/78/343301278.db2.gz UZXVPFYNXXOUDL-JGVFFNPUSA-N 1 0 207.277 0.793 10 0 BCAERO Cc1cc(C(=O)N2CC[C@H]([NH+](C)C)C2)n(C)n1 ZINC000035956229 343305596 /nfs/dbraw/zinc/30/55/96/343305596.db2.gz SURGHBQKYMUCHB-JTQLQIEISA-N 1 0 236.319 0.505 10 0 BCAERO OC[C@@H]1OCc2cc(N3CC[NH2+]CC3)ccc21 ZINC000220012491 343362653 /nfs/dbraw/zinc/36/26/53/343362653.db2.gz ITHSUMJTMBTRPV-ZDUSSCGKSA-N 1 0 234.299 0.660 10 0 BCAERO [NH3+][C@H]1CCCC[C@@H]1NC(=O)c1cnccn1 ZINC000038048877 343367837 /nfs/dbraw/zinc/36/78/37/343367837.db2.gz PGTBNAGDCRALEG-IUCAKERBSA-N 1 0 220.276 0.476 10 0 BCAERO CN(CCNC(=O)OC(C)(C)C)C1C[NH2+]C1 ZINC000038526273 343375984 /nfs/dbraw/zinc/37/59/84/343375984.db2.gz WOSDNQZCSFJFNY-UHFFFAOYSA-N 1 0 229.324 0.415 10 0 BCAERO C[C@H]([NH3+])[C@H](C)C(=O)N[C@@H]1CCCOC1 ZINC000165450869 343350983 /nfs/dbraw/zinc/35/09/83/343350983.db2.gz MMQZNELGIROFEA-XHNCKOQMSA-N 1 0 200.282 0.265 10 0 BCAERO [NH3+][C@@]1(O)C(c2ccccc2)=CC=C[C@@H]1O ZINC000039096273 343382446 /nfs/dbraw/zinc/38/24/46/343382446.db2.gz JVZLGWMVLXFEQM-NWDGAFQWSA-N 1 0 203.241 0.648 10 0 BCAERO COc1ncccc1CNC[C@H](O)C[NH+](C)C ZINC000037894087 187260793 /nfs/dbraw/zinc/26/07/93/187260793.db2.gz JCIJOXBERUAZLO-NSHDSACASA-N 1 0 239.319 0.102 10 0 BCAERO O=C(NC[C@@H]1CCCC[C@H]1O)[C@H]1CCCC[NH2+]1 ZINC000157122015 133481176 /nfs/dbraw/zinc/48/11/76/133481176.db2.gz ONCIPPJFPLZSKW-QJPTWQEYSA-N 1 0 240.347 0.796 10 0 BCAERO C([C@@H]1CCOC1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000082462914 343440064 /nfs/dbraw/zinc/44/00/64/343440064.db2.gz OYXRPWPMTVPOHO-RYUDHWBXSA-N 1 0 210.321 0.803 10 0 BCAERO C[C@H]1CCCN(C(=O)[C@H]2CCCO2)[C@@H]1C[NH3+] ZINC000166386794 136352490 /nfs/dbraw/zinc/35/24/90/136352490.db2.gz CCIDDXTXGNEVIN-HBNTYKKESA-N 1 0 226.320 0.751 10 0 BCAERO Cc1cc(Cn2cc(C[NH3+])nn2)ccn1 ZINC000641088867 362212867 /nfs/dbraw/zinc/21/28/67/362212867.db2.gz KLMNPYHUSSZPFP-UHFFFAOYSA-N 1 0 203.249 0.489 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)NCC1CCOCC1 ZINC000082545485 343447882 /nfs/dbraw/zinc/44/78/82/343447882.db2.gz PLUNYADOPKWWFJ-SNVBAGLBSA-N 1 0 214.309 0.657 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1ccncc1 ZINC000082558897 343448193 /nfs/dbraw/zinc/44/81/93/343448193.db2.gz QQOUNOIDTQBDMX-PSASIEDQSA-N 1 0 205.261 0.876 10 0 BCAERO CC[C@@H]([NH3+])CNc1ncnc2nc[nH]c21 ZINC000082579365 343452181 /nfs/dbraw/zinc/45/21/81/343452181.db2.gz PXTKFRJWCRYFCU-ZCFIWIBFSA-N 1 0 206.253 0.502 10 0 BCAERO C[C@@H]1C[C@H]1CNC(=O)C1(C[NH3+])CCOCC1 ZINC000166851876 136364377 /nfs/dbraw/zinc/36/43/77/136364377.db2.gz WMJUFYIXZOZRJZ-ZJUUUORDSA-N 1 0 226.320 0.514 10 0 BCAERO COC[C@H](Cn1cc(C(C)(C)[NH3+])nn1)OC ZINC000641105899 362226933 /nfs/dbraw/zinc/22/69/33/362226933.db2.gz GGPCPDBKWMSRLZ-QMMMGPOBSA-N 1 0 228.296 0.133 10 0 BCAERO COC[C@H](C)C(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000157749691 133491309 /nfs/dbraw/zinc/49/13/09/133491309.db2.gz AYKKNFWHBDYZDY-IVZWLZJFSA-N 1 0 214.309 0.513 10 0 BCAERO [NH3+][C@@H]1CCn2c(=O)[nH]c3cccc(c32)[C@H]1O ZINC000044019823 343489370 /nfs/dbraw/zinc/48/93/70/343489370.db2.gz JJFWDSAUXLLXOO-GMSGAONNSA-N 1 0 219.244 0.094 10 0 in-vitro BCAERO COC(=O)[C@H](c1cccnc1)N1CCC[NH2+]CC1 ZINC000037959460 187262109 /nfs/dbraw/zinc/26/21/09/187262109.db2.gz UGNUZYSRGGYREI-LBPRGKRZSA-N 1 0 249.314 0.591 10 0 BCAERO CC1(C)[C@@H]([NH2+]CCOCCO)[C@@H]2CCO[C@@H]21 ZINC000082943952 343472335 /nfs/dbraw/zinc/47/23/35/343472335.db2.gz NLYYBZHZVOUGHH-DCAQKATOSA-N 1 0 229.320 0.398 10 0 BCAERO CC(C)NC(=O)[C@H](C)[NH2+]C[C@H]1CCCOC1 ZINC000038045799 187262538 /nfs/dbraw/zinc/26/25/38/187262538.db2.gz NMRHCUNJUTXTPI-WDEREUQCSA-N 1 0 228.336 0.916 10 0 BCAERO CCOC(=O)N1CCN[C@H](C(C)=O)C1 ZINC000616632900 343528336 /nfs/dbraw/zinc/52/83/36/343528336.db2.gz RTXRACYUIPOORW-QMMMGPOBSA-N 1 0 200.238 0.006 10 0 BCAERO OCC[N@@H+]1CCCO[C@H](c2ncco2)C1 ZINC000616681776 343536609 /nfs/dbraw/zinc/53/66/09/343536609.db2.gz WAGCRAQLRJRWRA-VIFPVBQESA-N 1 0 212.249 0.430 10 0 BCAERO C[C@@H]([NH3+])[C@H](C)Nc1cnn(C)c(=O)c1Cl ZINC000394529966 259364128 /nfs/dbraw/zinc/36/41/28/259364128.db2.gz PXXTVKBIMVHYHQ-RITPCOANSA-N 1 0 230.699 0.581 10 0 BCAERO CC(C)(C)[C@H](C(N)=O)N1CCC[NH2+]CC1 ZINC000041051721 187264162 /nfs/dbraw/zinc/26/41/62/187264162.db2.gz IIXHRTYLMCRNBL-VIFPVBQESA-N 1 0 213.325 0.182 10 0 BCAERO CCn1cc([C@H](C)[NH2+][C@H]2CCOC[C@@H]2O)cn1 ZINC000624236673 343582249 /nfs/dbraw/zinc/58/22/49/343582249.db2.gz HUMAZLCDRGBITC-DLOVCJGASA-N 1 0 239.319 0.703 10 0 BCAERO CN1CCC([NH2+][C@H]2CCC[C@H](O)C2)CC1 ZINC000037164629 537788866 /nfs/dbraw/zinc/78/88/66/537788866.db2.gz CZBABMNSVJVMCO-RYUDHWBXSA-N 1 0 212.337 0.974 10 0 BCAERO CC(C)[N@H+](CC(N)=O)Cc1ccc(O)c(N)c1 ZINC000042428012 187265377 /nfs/dbraw/zinc/26/53/77/187265377.db2.gz PERUXFUEUFHQRY-UHFFFAOYSA-N 1 0 237.303 0.670 10 0 BCAERO CC(C)N(CCO)C(=O)[C@H]1CCC[C@@H](C)[NH2+]1 ZINC000042480939 187265937 /nfs/dbraw/zinc/26/59/37/187265937.db2.gz KZODDIGUROLCLN-GHMZBOCLSA-N 1 0 228.336 0.746 10 0 BCAERO O[C@@H]1CCC[C@H]1[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000398986236 488225338 /nfs/dbraw/zinc/22/53/38/488225338.db2.gz FLIFSCDFJMSBSR-KIJLLGNVSA-N 1 0 225.332 0.993 10 0 BCAERO C[NH2+][C@H](C)C(=O)NCc1cccc(OC)c1 ZINC000052395651 343599931 /nfs/dbraw/zinc/59/99/31/343599931.db2.gz KEHKZTAMKAFCTN-SECBINFHSA-N 1 0 222.288 0.919 10 0 BCAERO COC(=O)c1cc(N)c[nH+]c1NN(C)C ZINC000234582750 343604401 /nfs/dbraw/zinc/60/44/01/343604401.db2.gz YZEDUTLSIYFJPN-UHFFFAOYSA-N 1 0 210.237 0.339 10 0 BCAERO Cc1oncc1C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000044491902 187267887 /nfs/dbraw/zinc/26/78/87/187267887.db2.gz AKVRYORPVUDRFC-SECBINFHSA-N 1 0 223.276 0.855 10 0 BCAERO [NH3+]C[C@H](COc1ccccc1)N1CCOCC1 ZINC000020400996 343634402 /nfs/dbraw/zinc/63/44/02/343634402.db2.gz ICYGHCFXYNUIJU-GFCCVEGCSA-N 1 0 236.315 0.725 10 0 BCAERO COC(=O)CC[N@@H+]1CC[C@@H](O)C[C@H]1C ZINC000602929968 349821455 /nfs/dbraw/zinc/82/14/55/349821455.db2.gz BLBCJVVHFORZPJ-RKDXNWHRSA-N 1 0 201.266 0.395 10 0 BCAERO Cc1ccc(C[NH3+])cc1NS(=O)(=O)N(C)C ZINC000050430767 178562028 /nfs/dbraw/zinc/56/20/28/178562028.db2.gz HRIMSFLBMIIYLU-UHFFFAOYSA-N 1 0 243.332 0.672 10 0 BCAERO C([C@H]1CNCCO1)[N@@H+]1CCCSCC1 ZINC000043802598 187268671 /nfs/dbraw/zinc/26/86/71/187268671.db2.gz FQWWUWFELWSSBF-SNVBAGLBSA-N 1 0 216.350 0.414 10 0 BCAERO CCOC(=O)[C@@H]1CNC2=[NH+][C@@H](C)CN2[C@H]1C ZINC000300017220 537801993 /nfs/dbraw/zinc/80/19/93/537801993.db2.gz QFWFWBZXAXJHGP-XHNCKOQMSA-N 1 0 225.292 0.218 10 0 BCAERO CCCCNC(=O)CC[NH2+][C@H](C)COC ZINC000380013661 343669542 /nfs/dbraw/zinc/66/95/42/343669542.db2.gz SMDALQCXQBTVGD-SNVBAGLBSA-N 1 0 216.325 0.917 10 0 BCAERO C[S@](=O)C1(C[NH2+]C[C@@H](O)C(C)(C)C)CC1 ZINC000380195124 343690495 /nfs/dbraw/zinc/69/04/95/343690495.db2.gz BSHYDXRCNKFNKQ-PSLIRLAXSA-N 1 0 233.377 0.894 10 0 BCAERO C[C@H](NC(=O)C1([NH3+])CCC1)[C@@H]1CCCO1 ZINC000088050333 343698136 /nfs/dbraw/zinc/69/81/36/343698136.db2.gz BZMWXKNQNSWMTA-IUCAKERBSA-N 1 0 212.293 0.552 10 0 BCAERO [NH3+]C[C@@H]1CCCN1C(=O)[C@H]1CCCOC1 ZINC000082590094 133503113 /nfs/dbraw/zinc/50/31/13/133503113.db2.gz CIPSQCGDVFTLRJ-UWVGGRQHSA-N 1 0 212.293 0.363 10 0 BCAERO CCC1(CC)CC(=O)N([C@H]2CC[NH2+]C2)C1=O ZINC000052094052 168453786 /nfs/dbraw/zinc/45/37/86/168453786.db2.gz HDGUJGDYKKLDDR-VIFPVBQESA-N 1 0 224.304 0.914 10 0 BCAERO C[C@@H](CO)[NH+]1CCC2(CC1)OCCO2 ZINC000107143869 343705799 /nfs/dbraw/zinc/70/57/99/343705799.db2.gz HXERMSDOHJUNJE-VIFPVBQESA-N 1 0 201.266 0.206 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N1CCCCC[C@@H]1C ZINC000088004509 343687817 /nfs/dbraw/zinc/68/78/17/343687817.db2.gz SNTFFYTWFSSEEB-VHSXEESVSA-N 1 0 214.309 0.751 10 0 BCAERO COC[C@@H]([NH3+])C(=O)Nc1ccccc1O ZINC000088004526 343687922 /nfs/dbraw/zinc/68/79/22/343687922.db2.gz RDQZSWLXIRLKQB-SSDOTTSWSA-N 1 0 210.233 0.304 10 0 BCAERO O=C(NCc1cscn1)[C@H]1CC[NH2+]C1 ZINC000082626637 133503688 /nfs/dbraw/zinc/50/36/88/133503688.db2.gz HVEKHFMIPPJSNM-ZETCQYMHSA-N 1 0 211.290 0.369 10 0 BCAERO COC[C@H]([NH3+])C(=O)N(C)C1CCCC1 ZINC000088002638 343689392 /nfs/dbraw/zinc/68/93/92/343689392.db2.gz BUYDDPSQGXZLJM-VIFPVBQESA-N 1 0 200.282 0.361 10 0 BCAERO COC[C@H]([NH3+])C(=O)N(C)Cc1ccco1 ZINC000088002813 343689447 /nfs/dbraw/zinc/68/94/47/343689447.db2.gz ROOJJWVEQZKQOG-VIFPVBQESA-N 1 0 212.249 0.212 10 0 BCAERO COC[C@@H]1CCCN(C(=O)[C@H]2CC[C@H]([NH3+])C2)C1 ZINC000261542265 349849842 /nfs/dbraw/zinc/84/98/42/349849842.db2.gz OKMAZHMBNVIYRJ-WOPDTQHZSA-N 1 0 240.347 0.999 10 0 BCAERO CC[C@@H](CO)N(C)CC[N@H+](C)[C@@H](CC)CO ZINC000022871962 343742652 /nfs/dbraw/zinc/74/26/52/343742652.db2.gz JDUGXBIFCYWLQZ-RYUDHWBXSA-N 1 0 232.368 0.392 10 0 BCAERO CCCn1cccc1C(=O)N[C@H]1CC[NH2+]C1 ZINC000052093208 187271228 /nfs/dbraw/zinc/27/12/28/187271228.db2.gz UGJNOCSDZOLKQX-JTQLQIEISA-N 1 0 221.304 0.990 10 0 BCAERO CCC(=[NH2+])N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000062990910 343747637 /nfs/dbraw/zinc/74/76/37/343747637.db2.gz MMZGANREETUZEA-SSDOTTSWSA-N 1 0 204.295 0.493 10 0 BCAERO CCCCOC[C@H](O)C[N@@H+]1CC[C@@](C)(O)C1 ZINC000309122597 346969103 /nfs/dbraw/zinc/96/91/03/346969103.db2.gz QTGHLXDDUVQWOU-VXGBXAGGSA-N 1 0 231.336 0.621 10 0 BCAERO CC[C@H](C)[C@H](O)CNC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000262605173 349857960 /nfs/dbraw/zinc/85/79/60/349857960.db2.gz ARSDLZYKRWZDIZ-ZRUFSTJUSA-N 1 0 228.336 0.637 10 0 BCAERO C[N@@H+]1CC[C@H](NC(=O)c2ccc(N)c(F)c2)C1 ZINC000054413379 187272650 /nfs/dbraw/zinc/27/26/50/187272650.db2.gz TYAIWCXAGXLTNF-VIFPVBQESA-N 1 0 237.278 0.842 10 0 BCAERO COc1cc([C@@H](N)C[NH3+])cc(OC)c1O ZINC000072200810 343795852 /nfs/dbraw/zinc/79/58/52/343795852.db2.gz ZBGPRMDHBSKIDC-ZETCQYMHSA-N 1 0 212.249 0.368 10 0 BCAERO COc1ccc(CNC(=O)[C@H]2CC[NH2+]C2)cn1 ZINC000062116017 187273384 /nfs/dbraw/zinc/27/33/84/187273384.db2.gz KZASOLCYMBDMMB-JTQLQIEISA-N 1 0 235.287 0.316 10 0 BCAERO CC(C)(C)[N@@H+]1CC[C@H](S(N)(=O)=O)C1 ZINC000616613468 349861334 /nfs/dbraw/zinc/86/13/34/349861334.db2.gz KADPIJZKGVSUQE-ZETCQYMHSA-N 1 0 206.311 0.148 10 0 BCAERO CC(C)C(=[NH2+])N[C@@H]1CCS(=O)(=O)C1 ZINC000062988975 349868266 /nfs/dbraw/zinc/86/82/66/349868266.db2.gz XHPNHSNXAVXAME-SSDOTTSWSA-N 1 0 204.295 0.396 10 0 BCAERO [NH3+][C@@H]1CCC2(C[C@@H]1n1cncn1)OCCO2 ZINC000023071974 344038782 /nfs/dbraw/zinc/03/87/82/344038782.db2.gz QYKVNQUSVUUAKR-BDAKNGLRSA-N 1 0 224.264 0.074 10 0 BCAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)C2(O)CCC2)C1 ZINC000188019318 347005297 /nfs/dbraw/zinc/00/52/97/347005297.db2.gz UITBBABVVSHHLJ-MNOVXSKESA-N 1 0 240.347 0.746 10 0 BCAERO CC(C)([NH3+])C1CCN(S(C)(=O)=O)CC1 ZINC000077331388 187279941 /nfs/dbraw/zinc/27/99/41/187279941.db2.gz YAGNWTHHLBMOSI-UHFFFAOYSA-N 1 0 220.338 0.395 10 0 BCAERO CC(C)(C)[C@@H]([NH3+])C(=O)NC1(CO)CCCC1 ZINC000077573755 187280550 /nfs/dbraw/zinc/28/05/50/187280550.db2.gz NUYHVPKJUNANOH-VIFPVBQESA-N 1 0 228.336 0.781 10 0 BCAERO O=C(C1C[NH2+]C1)N1CCCC2(CCOCC2)C1 ZINC000335894774 344044897 /nfs/dbraw/zinc/04/48/97/344044897.db2.gz LMWPTVHJZRUHFY-UHFFFAOYSA-N 1 0 238.331 0.625 10 0 BCAERO C[NH2+][C@H](C)C(=O)N[C@@]1(C)CCO[C@@H]1C ZINC000234431775 343967131 /nfs/dbraw/zinc/96/71/31/343967131.db2.gz DOQRVFYEFWNJJE-MRTMQBJTSA-N 1 0 200.282 0.278 10 0 BCAERO CC(C)[C@H](C)[NH+]1C[C@@H](CO)[C@H](CO)C1 ZINC000625707908 344050247 /nfs/dbraw/zinc/05/02/47/344050247.db2.gz YFKMCJLUXKVGLA-DCAQKATOSA-N 1 0 201.310 0.564 10 0 BCAERO Cn1cncc1C(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000236079181 187286504 /nfs/dbraw/zinc/28/65/04/187286504.db2.gz RCQBGWIGAAVFGW-DTWKUNHWSA-N 1 0 222.292 0.277 10 0 BCAERO OC[C@@]1(C[NH+]2CCSCC2)CCOC1 ZINC000051292520 347027198 /nfs/dbraw/zinc/02/71/98/347027198.db2.gz VFEBFBIDDHFOFL-JTQLQIEISA-N 1 0 217.334 0.434 10 0 BCAERO C[C@@H](CC(N)=S)[N@@H+]1CCC[C@@](C)(O)C1 ZINC000157435340 344102478 /nfs/dbraw/zinc/10/24/78/344102478.db2.gz IEZMUOOKHPVPHG-WCBMZHEXSA-N 1 0 216.350 0.898 10 0 BCAERO C[NH+]1CCC(C(=O)N2C[C@H]3CC[C@]3([NH3+])C2)CC1 ZINC000616571120 344178527 /nfs/dbraw/zinc/17/85/27/344178527.db2.gz DWWZXDJZJTUHJY-YPMHNXCESA-N 1 0 237.347 0.278 10 0 BCAERO O=C(NCc1cc[nH]n1)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634743202 344161428 /nfs/dbraw/zinc/16/14/28/344161428.db2.gz MHFWDQSUXHEENN-CABZTGNLSA-N 1 0 234.303 0.416 10 0 BCAERO O=C(N[C@H]1CCCOC1)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634749195 344189449 /nfs/dbraw/zinc/18/94/49/344189449.db2.gz IXGNFMQOJXJCFN-GVXVVHGQSA-N 1 0 238.331 0.671 10 0 BCAERO Cn1cc([C@@H](C[NH3+])C2CCOCC2)cn1 ZINC000217355893 344191428 /nfs/dbraw/zinc/19/14/28/344191428.db2.gz TZHMRVJUYIRGHA-NSHDSACASA-N 1 0 209.293 0.889 10 0 BCAERO O=C(NCC(F)F)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634751187 344201133 /nfs/dbraw/zinc/20/11/33/344201133.db2.gz MOUWHFIBGXLDPH-XVKPBYJWSA-N 1 0 218.247 0.757 10 0 BCAERO C[NH2+][C@H](C)C(=O)N1CCO[C@@H](C(F)F)CC1 ZINC000634750836 344201249 /nfs/dbraw/zinc/20/12/49/344201249.db2.gz GKQKBIYBSYAUGI-HTQZYQBOSA-N 1 0 236.262 0.477 10 0 BCAERO Cc1ncc(Br)c(=O)n1C[C@H](C)[NH3+] ZINC000222865251 344272359 /nfs/dbraw/zinc/27/23/59/344272359.db2.gz JINKCJKIAVJHSQ-YFKPBYRVSA-N 1 0 246.108 0.661 10 0 BCAERO C[C@H]1OCC[C@@H]1NC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634770503 344284390 /nfs/dbraw/zinc/28/43/90/344284390.db2.gz NKUPPVAFJRDKFX-BLFANLJRSA-N 1 0 238.331 0.670 10 0 BCAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)N1C[C@@H]2COC[C@@H]2C1 ZINC000634774365 344292672 /nfs/dbraw/zinc/29/26/72/344292672.db2.gz OOGOITPARGEYGL-CHWFTXMASA-N 1 0 226.320 0.465 10 0 BCAERO O=C(CC[C@H]1CCC[NH2+]1)N1C[C@@H]2COC[C@@H]2C1 ZINC000634774010 344293120 /nfs/dbraw/zinc/29/31/20/344293120.db2.gz ZGXNPSNPQZZYGK-GRYCIOLGSA-N 1 0 238.331 0.623 10 0 BCAERO [NH3+][C@H]1CCC[C@@H](C(=O)N2C[C@@H]3COC[C@@H]3C2)C1 ZINC000634774504 344294029 /nfs/dbraw/zinc/29/40/29/344294029.db2.gz UGKBQLLNEMBFGI-WYUUTHIRSA-N 1 0 238.331 0.609 10 0 BCAERO CCN1C(=O)N[C@@](C)([C@H]2CCC[NH2+]C2)C1=O ZINC000095218400 344333951 /nfs/dbraw/zinc/33/39/51/344333951.db2.gz YTIDCJLGUMDVAB-KWQFWETISA-N 1 0 225.292 0.316 10 0 BCAERO C[C@@H]1C[C@@H]([NH3+])CN1c1nccn2cnnc12 ZINC000385178133 344360279 /nfs/dbraw/zinc/36/02/79/344360279.db2.gz HURZLCZPTFACKA-HTQZYQBOSA-N 1 0 218.264 0.050 10 0 BCAERO O=C(C(F)F)N1CCC[C@H]2C[NH2+]C[C@@H]21 ZINC000236131877 344300502 /nfs/dbraw/zinc/30/05/02/344300502.db2.gz UDZVKOTWMVQINS-BQBZGAKWSA-N 1 0 204.220 0.462 10 0 BCAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cn[nH]c1 ZINC000092667360 344301359 /nfs/dbraw/zinc/30/13/59/344301359.db2.gz MZUGGLSLXCBZIV-NSHDSACASA-N 1 0 236.319 0.966 10 0 BCAERO CC(=O)N(Cc1cncnc1)[C@@H]1CCC[NH2+]CC1 ZINC000098209950 187290544 /nfs/dbraw/zinc/29/05/44/187290544.db2.gz RSNPRSDXXOKZLL-CYBMUJFWSA-N 1 0 248.330 0.967 10 0 BCAERO C[C@@H]1CN(C(=O)CC[C@H]2CCCO2)C[C@H]1[NH3+] ZINC000300049383 344380573 /nfs/dbraw/zinc/38/05/73/344380573.db2.gz RJTMMUYFNRZPPR-GMTAPVOTSA-N 1 0 226.320 0.751 10 0 BCAERO COc1cc(C)nc(N2C[C@H]([NH3+])C[C@@H]2C)n1 ZINC000385271244 344385702 /nfs/dbraw/zinc/38/57/02/344385702.db2.gz SNYQFWGONZQCBI-DTWKUNHWSA-N 1 0 222.292 0.720 10 0 BCAERO CCOc1cc(N2C[C@@H]([NH3+])C[C@H]2C)ncn1 ZINC000385282585 344387448 /nfs/dbraw/zinc/38/74/48/344387448.db2.gz WCJWPXODBXNLQG-BDAKNGLRSA-N 1 0 222.292 0.801 10 0 BCAERO COC(=O)CCCN1C[C@@H](OC)C[C@@]1(C)C[NH3+] ZINC000600885769 344388351 /nfs/dbraw/zinc/38/83/51/344388351.db2.gz NSPBHIRYOFVTTM-JQWIXIFHSA-N 1 0 244.335 0.378 10 0 BCAERO CC[C@H](O)[C@H](C)[N@@H+]1CCCN(C)CC1 ZINC000044124862 344398560 /nfs/dbraw/zinc/39/85/60/344398560.db2.gz PLTYBEWKEVVPHP-QWRGUYRKSA-N 1 0 200.326 0.783 10 0 BCAERO O=C1Nc2ccccc2C[C@H]1N1CC[NH2+]CC1 ZINC000084513153 344438538 /nfs/dbraw/zinc/43/85/38/344438538.db2.gz HEBZGZUHSZBHBN-GFCCVEGCSA-N 1 0 231.299 0.455 10 0 BCAERO C[C@@H](O)CCN(C)C(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000158809404 344457705 /nfs/dbraw/zinc/45/77/05/344457705.db2.gz FBJBABIVCPMZIO-OPRDCNLKSA-N 1 0 214.309 0.071 10 0 BCAERO CSCCNC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000085013375 344494598 /nfs/dbraw/zinc/49/45/98/344494598.db2.gz FJYGJDCIBXNDOP-JGVFFNPUSA-N 1 0 202.323 0.593 10 0 BCAERO C[C@]1(O)CCC[N@H+](CC(N)=S)CC1 ZINC000230353952 344535236 /nfs/dbraw/zinc/53/52/36/344535236.db2.gz ZARGGBHDPHOTSN-VIFPVBQESA-N 1 0 202.323 0.509 10 0 BCAERO C[C@@]1(O)CCC[N@H+](CC(N)=S)CC1 ZINC000230353950 344535297 /nfs/dbraw/zinc/53/52/97/344535297.db2.gz ZARGGBHDPHOTSN-SECBINFHSA-N 1 0 202.323 0.509 10 0 BCAERO COCCC[N@H+](C)CCNC(=O)[C@H](C)COC ZINC000152410641 344546196 /nfs/dbraw/zinc/54/61/96/344546196.db2.gz SDGPLJLRHDQBPJ-LLVKDONJSA-N 1 0 246.351 0.353 10 0 BCAERO C[C@H](CC(N)=O)NC1=[NH+]C[C@@H](C)CS1 ZINC000220576077 344553767 /nfs/dbraw/zinc/55/37/67/344553767.db2.gz JPXOJJUKWVDQJN-RNFRBKRXSA-N 1 0 215.322 0.579 10 0 BCAERO CC(C)[N@H+](C)[C@H]1CC[C@@]([NH3+])(C(=O)[O-])C1 ZINC000225820703 344558619 /nfs/dbraw/zinc/55/86/19/344558619.db2.gz VPYXNJTUSMNXPW-WPRPVWTQSA-N 1 0 200.282 0.661 10 0 BCAERO OCC[N@@H+]1CCC[C@H](c2cccnn2)C1 ZINC000616617696 344561870 /nfs/dbraw/zinc/56/18/70/344561870.db2.gz FASFEYKKWXYZMQ-JTQLQIEISA-N 1 0 207.277 0.648 10 0 BCAERO [NH3+][C@@H]1CCCN(CC(=O)[C@@H]2CCOC2)C1 ZINC000158230289 344568036 /nfs/dbraw/zinc/56/80/36/344568036.db2.gz JFMHQKQRVWIOSB-NXEZZACHSA-N 1 0 212.293 0.015 10 0 BCAERO OCC[N@@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000152494735 344581416 /nfs/dbraw/zinc/58/14/16/344581416.db2.gz LZRGUAYJXJTWJC-NSHDSACASA-N 1 0 208.261 0.527 10 0 BCAERO C[C@@H]1CCCCC[N@@H+]1C[C@@](C)(N)C(N)=O ZINC000226740620 344599532 /nfs/dbraw/zinc/59/95/32/344599532.db2.gz JVYVLPLANROSDZ-MWLCHTKSSA-N 1 0 213.325 0.454 10 0 BCAERO CNC(=O)[C@H]1CCCN1[C@@H]1CCCC1=O ZINC000050154438 344650775 /nfs/dbraw/zinc/65/07/75/344650775.db2.gz MLQKYUMHDRIYAL-RKDXNWHRSA-N 1 0 210.277 0.318 10 0 BCAERO CCCCOC[C@@H](O)C[N@@H+]1C[C@H](O)C(C)(C)C1 ZINC000387752952 347064911 /nfs/dbraw/zinc/06/49/11/347064911.db2.gz BLISIMJFSZOIDJ-RYUDHWBXSA-N 1 0 245.363 0.867 10 0 BCAERO COCC[C@H](COC)[NH2+][C@@H]1CCCC[C@H]1O ZINC000309428783 347062766 /nfs/dbraw/zinc/06/27/66/347062766.db2.gz YWFAFIQAQBKIRN-IJLUTSLNSA-N 1 0 231.336 0.931 10 0 BCAERO C[C@@H]1CN(C(=O)c2ccc(C[NH3+])cn2)C[C@@H](C)O1 ZINC000104213651 187292288 /nfs/dbraw/zinc/29/22/88/187292288.db2.gz GCMFOJXKRISADO-NXEZZACHSA-N 1 0 249.314 0.790 10 0 BCAERO Cc1ncn(-c2c(C(N)=[NH2+])c(C)nn2C)c1C ZINC000104308056 187292043 /nfs/dbraw/zinc/29/20/43/187292043.db2.gz DIAOZSSRYBYYQQ-UHFFFAOYSA-N 1 0 232.291 0.815 10 0 BCAERO CC(C)C[C@@H](C[NH3+])Nc1ncccc1C(N)=O ZINC000104316976 187292056 /nfs/dbraw/zinc/29/20/56/187292056.db2.gz XEKMMAOTEAFZEB-VIFPVBQESA-N 1 0 236.319 0.966 10 0 BCAERO Cc1nc(CN2CC[C@H]([NH3+])C2)cc(=O)[nH]1 ZINC000045956845 192075482 /nfs/dbraw/zinc/07/54/82/192075482.db2.gz SANKFYXJZYWFMK-QMMMGPOBSA-N 1 0 208.265 0.024 10 0 BCAERO CC[C@@](C)(C[NH3+])C(=O)Nc1nncs1 ZINC000128078081 344732898 /nfs/dbraw/zinc/73/28/98/344732898.db2.gz LBHFCKIEFHSLNF-QMMMGPOBSA-N 1 0 214.294 0.852 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N1CCC[C@H]1CSC ZINC000399985293 344746915 /nfs/dbraw/zinc/74/69/15/344746915.db2.gz BKXWNHGLMLSMJY-DTWKUNHWSA-N 1 0 232.349 0.314 10 0 BCAERO Cc1ccnc(N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)n1 ZINC000153117550 344754147 /nfs/dbraw/zinc/75/41/47/344754147.db2.gz XTACKNIWIQGXJM-WDEREUQCSA-N 1 0 234.303 0.304 10 0 BCAERO CC1(C)C[C@H]1[NH2+]CC(=O)N1CCOCC1 ZINC000045134184 187292874 /nfs/dbraw/zinc/29/28/74/187292874.db2.gz LZUXBLQCZAENJZ-SECBINFHSA-N 1 0 212.293 0.233 10 0 BCAERO CS[C@@H]1CCC[C@@H]1NC(=O)C1([NH3+])CC1 ZINC000235130159 344804801 /nfs/dbraw/zinc/80/48/01/344804801.db2.gz INAUEYFPBUJMTB-JGVFFNPUSA-N 1 0 214.334 0.878 10 0 BCAERO CN(C(=O)C(F)(F)F)C1CC[NH2+]CC1 ZINC000062810239 347082089 /nfs/dbraw/zinc/08/20/89/347082089.db2.gz ZCLBXUFFOADNMZ-UHFFFAOYSA-N 1 0 210.199 0.759 10 0 BCAERO CN(CCO)c1cc2c(s1)CC[NH2+]C2 ZINC000118743266 344821537 /nfs/dbraw/zinc/82/15/37/344821537.db2.gz GGFDPDOBIUTUMG-UHFFFAOYSA-N 1 0 212.318 0.822 10 0 BCAERO COC(=O)c1ccc(N2C[C@@H]([NH3+])C[C@H]2C)nn1 ZINC000600962629 344818022 /nfs/dbraw/zinc/81/80/22/344818022.db2.gz HOEDMNHRAADMRL-SFYZADRCSA-N 1 0 236.275 0.189 10 0 BCAERO CC(C)C[C@@H]([NH3+])CN1CCS(=O)CC1 ZINC000049692946 187293473 /nfs/dbraw/zinc/29/34/73/187293473.db2.gz FPHKDDKIIUISPL-SNVBAGLBSA-N 1 0 218.366 0.424 10 0 BCAERO CCc1nc(C)cn1[C@@H](C)[C@H]([NH3+])C(N)=O ZINC000715144526 537865049 /nfs/dbraw/zinc/86/50/49/537865049.db2.gz JSWMHWAPZFYOSG-CBAPKCEASA-N 1 0 210.281 0.128 10 0 BCAERO CCc1nc(C)cn1[C@H](C)[C@H]([NH3+])C(N)=O ZINC000715144523 537865078 /nfs/dbraw/zinc/86/50/78/537865078.db2.gz JSWMHWAPZFYOSG-APPZFPTMSA-N 1 0 210.281 0.128 10 0 BCAERO C[NH2+]C1(CNC(=O)NC(C)C)CCOCC1 ZINC000675053328 537863152 /nfs/dbraw/zinc/86/31/52/537863152.db2.gz HYNPACOQKCFODH-UHFFFAOYSA-N 1 0 229.324 0.463 10 0 BCAERO CC(C)(C)[C@@H]([NH3+])C(=O)Nc1nnns1 ZINC000166322069 344858207 /nfs/dbraw/zinc/85/82/07/344858207.db2.gz YUOQPBVLTBLHOM-BYPYZUCNSA-N 1 0 215.282 0.245 10 0 BCAERO [NH3+]CCC(=O)N[C@H]1CCCCC[C@@H]1O ZINC000135676581 344844982 /nfs/dbraw/zinc/84/49/82/344844982.db2.gz RSPKMNPJNMQARO-IUCAKERBSA-N 1 0 200.282 0.145 10 0 BCAERO C[C@@H]1CCN(C(=O)C(F)F)[C@H](C[NH3+])C1 ZINC000235263195 344863140 /nfs/dbraw/zinc/86/31/40/344863140.db2.gz FNVINTVBSWYLIV-RQJHMYQMSA-N 1 0 206.236 0.837 10 0 BCAERO C[C@@H]1CN[C@@H](C(=O)NCc2ccccc2)C[NH2+]1 ZINC000062813848 347084656 /nfs/dbraw/zinc/08/46/56/347084656.db2.gz PDAVNLYJLYKTKV-ZYHUDNBSSA-N 1 0 233.315 0.253 10 0 BCAERO CCN(CC)C(=O)C[N@H+](C)[C@@H]1CCC[C@@H]1O ZINC000078480134 344873817 /nfs/dbraw/zinc/87/38/17/344873817.db2.gz SIQOWTXGBMTSKT-MNOVXSKESA-N 1 0 228.336 0.700 10 0 BCAERO [NH3+]C[C@]1([C@H]2CCS(=O)(=O)C2)CCCS1 ZINC000166487195 344907118 /nfs/dbraw/zinc/90/71/18/344907118.db2.gz BAOQVWYDJHIWKD-IUCAKERBSA-N 1 0 235.374 0.646 10 0 BCAERO O=C(NCC(F)(F)F)N1CC[NH2+]CC1 ZINC000166510160 344913915 /nfs/dbraw/zinc/91/39/15/344913915.db2.gz DNEXCKJTLFFCNU-UHFFFAOYSA-N 1 0 211.187 0.164 10 0 BCAERO C[C@@]1(O)CC[N@H+](CC(=O)[C@@H]2CCOC2)C1 ZINC000235452950 344916807 /nfs/dbraw/zinc/91/68/07/344916807.db2.gz ZGKFCUZQZAFYFB-MWLCHTKSSA-N 1 0 213.277 0.049 10 0 BCAERO C[C@H](C[N@@H+]1CC[C@@](C)(O)C1)C(N)=S ZINC000235447778 344917001 /nfs/dbraw/zinc/91/70/01/344917001.db2.gz HAALFFALPNGZPP-VXNVDRBHSA-N 1 0 202.323 0.365 10 0 BCAERO COC(=O)[C@@H]([NH3+])CCn1ncc(Cl)c1C ZINC000070704596 537880199 /nfs/dbraw/zinc/88/01/99/537880199.db2.gz QHPNHZJBMNXVHY-QMMMGPOBSA-N 1 0 231.683 0.735 10 0 BCAERO C[C@H]1CN(C)CCC[N@@H+]1CC(N)=S ZINC000235613881 344955534 /nfs/dbraw/zinc/95/55/34/344955534.db2.gz BDWMHYNMULIMCP-QMMMGPOBSA-N 1 0 201.339 0.299 10 0 BCAERO CC[NH2+][C@@H](CCn1nccc1C)C(N)=O ZINC000070687186 537878031 /nfs/dbraw/zinc/87/80/31/537878031.db2.gz PNQGGSIOJPBQGS-VIFPVBQESA-N 1 0 210.281 0.045 10 0 BCAERO Cc1ccnn1C[C@H]([NH2+]C(C)C)C(N)=O ZINC000070686999 537878460 /nfs/dbraw/zinc/87/84/60/537878460.db2.gz HRJYIPNSNWVEMG-VIFPVBQESA-N 1 0 210.281 0.043 10 0 BCAERO CC[NH2+][C@H](CCn1ccc(C)n1)C(N)=O ZINC000070686743 537879373 /nfs/dbraw/zinc/87/93/73/537879373.db2.gz XBLYBXWJBTVSII-SECBINFHSA-N 1 0 210.281 0.045 10 0 BCAERO C[C@H]1CCN(C(=O)C(F)F)[C@H](C[NH3+])C1 ZINC000235579289 344947795 /nfs/dbraw/zinc/94/77/95/344947795.db2.gz FNVINTVBSWYLIV-BQBZGAKWSA-N 1 0 206.236 0.837 10 0 BCAERO CCCS(=O)(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000082416843 344948853 /nfs/dbraw/zinc/94/88/53/344948853.db2.gz FJMUPLKPUKYGTR-SECBINFHSA-N 1 0 220.338 0.362 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)NC[C@@H]2CCC[N@@H+]2C)O1 ZINC000154666909 345046725 /nfs/dbraw/zinc/04/67/25/345046725.db2.gz MRZISDGTFCVVQP-OUAUKWLOSA-N 1 0 226.320 0.764 10 0 BCAERO C[NH2+]CCN(C)c1ccc(C(=O)OC)c(C)n1 ZINC000124124340 345028417 /nfs/dbraw/zinc/02/84/17/345028417.db2.gz UMSCDDBDDOSBMQ-UHFFFAOYSA-N 1 0 237.303 0.832 10 0 BCAERO CC(C)NS(=O)(=O)c1ccc(C[NH3+])cc1 ZINC000011849264 345032275 /nfs/dbraw/zinc/03/22/75/345032275.db2.gz DFJQOYRMISPYOI-UHFFFAOYSA-N 1 0 228.317 0.832 10 0 BCAERO C[C@H]1CC[C@@]2(CO1)[NH2+]CCc1nc[nH]c12 ZINC000401687580 537887512 /nfs/dbraw/zinc/88/75/12/537887512.db2.gz YJIHRRPXFBZMNU-KWQFWETISA-N 1 0 207.277 0.950 10 0 BCAERO Cc1ccc(S(=O)(=O)C2CC[NH2+]CC2)nn1 ZINC000095069074 178822627 /nfs/dbraw/zinc/82/26/27/178822627.db2.gz WCCOEKJADCWMII-UHFFFAOYSA-N 1 0 241.316 0.311 10 0 BCAERO OCc1ccc(F)c(N2CC[NH2+]CC2)c1 ZINC000146194010 345092819 /nfs/dbraw/zinc/09/28/19/345092819.db2.gz FGQRHLHRBLTFQI-UHFFFAOYSA-N 1 0 210.252 0.728 10 0 BCAERO C[NH2+][C@@H](Cn1cc(C(C)C)cn1)C(N)=O ZINC000402125396 537889897 /nfs/dbraw/zinc/88/98/97/537889897.db2.gz NEDRYVOAGFKVRB-VIFPVBQESA-N 1 0 210.281 0.080 10 0 BCAERO CC(=[NH2+])NC[C@@H](C)SC[C@H]([NH3+])C(=O)[O-] ZINC000001547090 187301519 /nfs/dbraw/zinc/30/15/19/187301519.db2.gz TVAJDCQMVOAKMN-VDTYLAMSSA-N 1 0 219.310 0.107 10 0 BCAERO C[C@H]1CN(Cc2csnn2)C[C@@H]1C[NH3+] ZINC000634998316 345198125 /nfs/dbraw/zinc/19/81/25/345198125.db2.gz DCDJANNBEHRFQG-YUMQZZPRSA-N 1 0 212.322 0.565 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@H](N2CCS(=O)(=O)CC2)C1 ZINC000675054338 537894597 /nfs/dbraw/zinc/89/45/97/537894597.db2.gz SITWXXNUFGUHHV-MNOVXSKESA-N 1 0 246.376 0.234 10 0 BCAERO Cn1ccnc1CCC1=C[C@H](O)C[NH2+]C1 ZINC000675076892 537892585 /nfs/dbraw/zinc/89/25/85/537892585.db2.gz GUIJPTMGEAMVIO-JTQLQIEISA-N 1 0 207.277 0.243 10 0 BCAERO CCC1CCN(C(=O)[C@@H]2C[C@@H](O)C[NH2+]2)CC1 ZINC000037822552 168525285 /nfs/dbraw/zinc/52/52/85/168525285.db2.gz AGUJDKIKVCBXFI-MNOVXSKESA-N 1 0 226.320 0.358 10 0 BCAERO Cc1ccc([C@@H](C)[NH2+]CCCS(N)(=O)=O)o1 ZINC000045064815 178840416 /nfs/dbraw/zinc/84/04/16/178840416.db2.gz DNEDOWQONVRNNZ-SECBINFHSA-N 1 0 246.332 0.917 10 0 BCAERO CC(C)(C)NC(=O)NC[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000675054469 537895181 /nfs/dbraw/zinc/89/51/81/537895181.db2.gz QUKADICMXSNQDE-BRPSZJMVSA-N 1 0 211.309 0.550 10 0 BCAERO CC(C)C[C@@H](C)[NH2+][C@@H]1CC(=O)N(C)C1=O ZINC000102664958 187302045 /nfs/dbraw/zinc/30/20/45/187302045.db2.gz ALLXCJATZIXBQY-RKDXNWHRSA-N 1 0 212.293 0.768 10 0 BCAERO CC[C@H]1CCN(C(=O)C2([NH3+])CCOCC2)C1 ZINC000158736139 345371084 /nfs/dbraw/zinc/37/10/84/345371084.db2.gz AWZHGCZCPFHEPJ-JTQLQIEISA-N 1 0 226.320 0.753 10 0 BCAERO C[C@H]([NH2+]C[C@@H]1CNC(=O)O1)C1CCOCC1 ZINC000381336662 345384967 /nfs/dbraw/zinc/38/49/67/345384967.db2.gz VYFUGQYPZQDSOZ-WCBMZHEXSA-N 1 0 228.292 0.500 10 0 BCAERO [NH3+]CCN1CCCO[C@H](c2cncnc2)C1 ZINC000616678512 345409915 /nfs/dbraw/zinc/40/99/15/345409915.db2.gz HVGUSJZKUITUCT-NSHDSACASA-N 1 0 222.292 0.199 10 0 BCAERO [NH3+]CCN1CCCO[C@H](OC(F)(F)F)C1 ZINC000616678497 345411386 /nfs/dbraw/zinc/41/13/86/345411386.db2.gz HLMZMFMZMLPSHG-SSDOTTSWSA-N 1 0 228.214 0.530 10 0 BCAERO [NH3+]CCN1CCCO[C@H](c2ncco2)C1 ZINC000616680152 345414009 /nfs/dbraw/zinc/41/40/09/345414009.db2.gz OAPJJMVRBYBSDX-VIFPVBQESA-N 1 0 211.265 0.397 10 0 BCAERO COC[C@@H]([NH3+])C(=O)NCc1ccc(OC)cc1 ZINC000159557252 345440960 /nfs/dbraw/zinc/44/09/60/345440960.db2.gz AFEVDKBNOPNDQH-LLVKDONJSA-N 1 0 238.287 0.285 10 0 BCAERO COC[C@@H]([NH3+])C(=O)NCCc1cccc(F)c1 ZINC000159618560 345448800 /nfs/dbraw/zinc/44/88/00/345448800.db2.gz CAEYYNFDHVERCJ-LLVKDONJSA-N 1 0 240.278 0.458 10 0 BCAERO CC(C)[N@H+]1C[C@H](NC(=O)c2cn[nH]n2)[C@@H](C)C1 ZINC000158983518 345396432 /nfs/dbraw/zinc/39/64/32/345396432.db2.gz WAPIRKKNRWSRPL-WPRPVWTQSA-N 1 0 237.307 0.263 10 0 BCAERO CC(=O)CC[N@@H+]1CCC[C@@H](n2cncn2)C1 ZINC000171529060 187304075 /nfs/dbraw/zinc/30/40/75/187304075.db2.gz NYIBOAOJTHPWGK-LLVKDONJSA-N 1 0 222.292 0.894 10 0 BCAERO CC(=O)CC[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000171529056 187304088 /nfs/dbraw/zinc/30/40/88/187304088.db2.gz NYIBOAOJTHPWGK-NSHDSACASA-N 1 0 222.292 0.894 10 0 BCAERO COC[C@H]([NH3+])C(=O)Nc1ccc2[nH]c(C)nc2c1 ZINC000159686853 345469843 /nfs/dbraw/zinc/46/98/43/345469843.db2.gz UWNWMOGAUKBHLD-VIFPVBQESA-N 1 0 248.286 0.784 10 0 BCAERO COC(=O)[C@H](C)CN(C)C(=O)C[C@@H]([NH3+])C(C)C ZINC000136404805 345509817 /nfs/dbraw/zinc/50/98/17/345509817.db2.gz AEROZEHEVYHYNI-NXEZZACHSA-N 1 0 244.335 0.627 10 0 BCAERO COC[C@@H]([NH3+])C(=O)NC[C@@H](C)c1ccccc1 ZINC000159837869 345564564 /nfs/dbraw/zinc/56/45/64/345564564.db2.gz MABIOTGYPDJGTC-ZYHUDNBSSA-N 1 0 236.315 0.880 10 0 BCAERO COC[C@H]([NH3+])C(=O)NC[C@@H](C)c1ccccc1 ZINC000159838067 345564972 /nfs/dbraw/zinc/56/49/72/345564972.db2.gz MABIOTGYPDJGTC-PWSUYJOCSA-N 1 0 236.315 0.880 10 0 BCAERO CC1CC(C(=O)NC[C@@H]2C[NH2+]CCCO2)C1 ZINC000563115449 323093484 /nfs/dbraw/zinc/09/34/84/323093484.db2.gz CHOBDZVYMCSQAG-ILDUYXDCSA-N 1 0 226.320 0.527 10 0 BCAERO Nc1ncc([C@]2(O)C[NH+]3CCC2CC3)s1 ZINC000403158858 537901400 /nfs/dbraw/zinc/90/14/00/537901400.db2.gz PTNVPACJAKQFST-JTQLQIEISA-N 1 0 225.317 0.469 10 0 BCAERO CN1CCN(c2nc3c(s2)C[NH2+]CC3)CC1 ZINC000221531285 345735828 /nfs/dbraw/zinc/73/58/28/345735828.db2.gz LRENKMBQEYRQNK-UHFFFAOYSA-N 1 0 238.360 0.541 10 0 BCAERO O=C(N1CCC[C@H]2C[NH2+]C[C@@H]21)C(F)(F)F ZINC000221536799 345737933 /nfs/dbraw/zinc/73/79/33/345737933.db2.gz ILGYKQRBTNALQS-BQBZGAKWSA-N 1 0 222.210 0.759 10 0 BCAERO O=C(N1CCC[C@@H]2C[NH2+]C[C@H]21)C(F)(F)F ZINC000221536858 345738093 /nfs/dbraw/zinc/73/80/93/345738093.db2.gz ILGYKQRBTNALQS-RNFRBKRXSA-N 1 0 222.210 0.759 10 0 BCAERO CC(C)(C)OC(=O)CC[C@H]1C[NH2+]CCN1 ZINC000168443022 345815672 /nfs/dbraw/zinc/81/56/72/345815672.db2.gz MFAWWKSDPGAERE-VIFPVBQESA-N 1 0 214.309 0.670 10 0 BCAERO C[NH2+]CC[C@@]1(O)C(=O)Nc2ccccc21 ZINC000033836147 345816424 /nfs/dbraw/zinc/81/64/24/345816424.db2.gz ZCPFUYXRGAKFRP-NSHDSACASA-N 1 0 206.245 0.436 10 0 BCAERO CO[C@H](C)C(=O)N1CC[C@H](C)[C@@H]([NH3+])C1 ZINC000163883385 345781052 /nfs/dbraw/zinc/78/10/52/345781052.db2.gz GDILQONXPOLFDV-YIZRAAEISA-N 1 0 200.282 0.217 10 0 BCAERO CCC[C@@H](CN1CC(O)C1)[NH2+]C(C)C ZINC000167622344 345794989 /nfs/dbraw/zinc/79/49/89/345794989.db2.gz QNWNSHNFQCQLQM-JTQLQIEISA-N 1 0 200.326 0.830 10 0 BCAERO COc1cccc(C(=O)N2CC[NH2+]CC2(C)C)n1 ZINC000215551755 345848413 /nfs/dbraw/zinc/84/84/13/345848413.db2.gz KGTORFXXJNMENV-UHFFFAOYSA-N 1 0 249.314 0.914 10 0 BCAERO CC[NH2+]CCC(C(=O)OCC)C(=O)OCC ZINC000220994609 345862339 /nfs/dbraw/zinc/86/23/39/345862339.db2.gz IDKMBAKTEIEGCF-UHFFFAOYSA-N 1 0 231.292 0.728 10 0 BCAERO CCC[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O ZINC000306431762 537914375 /nfs/dbraw/zinc/91/43/75/537914375.db2.gz UQGVXNABKACSFU-NXEZZACHSA-N 1 0 244.335 0.966 10 0 BCAERO CC(C)(C)OC(=O)N(N)C(=O)[C@@H]1CCC[NH2+]C1 ZINC000142599546 345872873 /nfs/dbraw/zinc/87/28/73/345872873.db2.gz GEGFFAGXPQNRIC-MRVPVSSYSA-N 1 0 243.307 0.623 10 0 BCAERO C[N@@H+]1CC[C@@H](C(=O)NC[C@H](O)C(C)(C)C)C1 ZINC000324628448 537918413 /nfs/dbraw/zinc/91/84/13/537918413.db2.gz SBEWLKDRXVXACE-ZJUUUORDSA-N 1 0 228.336 0.461 10 0 BCAERO COC(=O)[C@@](C)([NH3+])C[C@H](C)n1ccnc1 ZINC000082800143 537922957 /nfs/dbraw/zinc/92/29/57/537922957.db2.gz FQQMQWBAMSRFCK-WPRPVWTQSA-N 1 0 211.265 0.725 10 0 BCAERO C[NH2+][C@](C)(C[C@@H](C)n1cccn1)C(N)=O ZINC000082800454 537923052 /nfs/dbraw/zinc/92/30/52/537923052.db2.gz VSRAXZBKNVRPJM-PSASIEDQSA-N 1 0 210.281 0.298 10 0 BCAERO C[C@@](N)(C[NH+]1CCC(C)(C)CC1)C(N)=O ZINC000061821947 345957556 /nfs/dbraw/zinc/95/75/56/345957556.db2.gz VCSQXBFQQZFWFT-LLVKDONJSA-N 1 0 213.325 0.311 10 0 BCAERO Cc1nccn1[C@H](C)C[C@](C)([NH3+])C(N)=O ZINC000082800205 537923699 /nfs/dbraw/zinc/92/36/99/537923699.db2.gz IHNXAIDRLIKQQV-XCBNKYQSSA-N 1 0 210.281 0.345 10 0 BCAERO Cc1nccn1[C@@H](C)C[C@@](C)([NH3+])C(N)=O ZINC000082800207 537924374 /nfs/dbraw/zinc/92/43/74/537924374.db2.gz IHNXAIDRLIKQQV-OIBJUYFYSA-N 1 0 210.281 0.345 10 0 BCAERO Cc1cnn([C@H](C)C[C@](C)([NH3+])C(N)=O)c1 ZINC000082800500 537924400 /nfs/dbraw/zinc/92/44/00/537924400.db2.gz XHCYCDCMWKWRSI-SCZZXKLOSA-N 1 0 210.281 0.345 10 0 BCAERO COC(=O)[C@@](C)([NH3+])C[C@@H](C)n1ccnc1 ZINC000082800144 537924429 /nfs/dbraw/zinc/92/44/29/537924429.db2.gz FQQMQWBAMSRFCK-SCZZXKLOSA-N 1 0 211.265 0.725 10 0 BCAERO CC(C)[C@@H]1CN(S(C)(=O)=O)[C@@H](C)C[NH2+]1 ZINC000062610276 187362076 /nfs/dbraw/zinc/36/20/76/187362076.db2.gz SJKAZAGMQXGIDW-IUCAKERBSA-N 1 0 220.338 0.264 10 0 BCAERO CC(C)[C@@H](O)C[N@@H+]1CC[C@H](CCO)C1 ZINC000300931504 187312978 /nfs/dbraw/zinc/31/29/78/187312978.db2.gz WEDGETRLXDQVIQ-MNOVXSKESA-N 1 0 201.310 0.708 10 0 BCAERO Cn1cnc(CC[NH3+])c1Br ZINC000685945540 537940700 /nfs/dbraw/zinc/94/07/00/537940700.db2.gz QKOPKMRCELLPHM-UHFFFAOYSA-N 1 0 204.071 0.684 10 0 BCAERO [NH3+]C[C@H]([C@H]1CCCO1)N1CCSCC1 ZINC000148888796 346064262 /nfs/dbraw/zinc/06/42/62/346064262.db2.gz JNWLXIICVOIIFJ-NXEZZACHSA-N 1 0 216.350 0.542 10 0 BCAERO Cc1cnc(CN2C[C@@H]([NH3+])CC2=O)s1 ZINC000235932369 346171938 /nfs/dbraw/zinc/17/19/38/346171938.db2.gz WCKTVTFJFNVWCR-ZETCQYMHSA-N 1 0 211.290 0.511 10 0 BCAERO COC(=O)CCCN(C)C(=O)C[C@@H]([NH3+])C(C)C ZINC000136392931 346206798 /nfs/dbraw/zinc/20/67/98/346206798.db2.gz OIEXDEMWHNXEPP-SNVBAGLBSA-N 1 0 244.335 0.771 10 0 BCAERO C[C@@H](C[N@@H+]1CCCOCC1)C(N)=S ZINC000061918572 346179971 /nfs/dbraw/zinc/17/99/71/346179971.db2.gz GYMUVLBLWWDJST-QMMMGPOBSA-N 1 0 202.323 0.631 10 0 BCAERO CC[C@H](C(N)=S)[N@@H+]1CCCOCC1 ZINC000061918602 346180370 /nfs/dbraw/zinc/18/03/70/346180370.db2.gz MDBDGWJXTDACEJ-MRVPVSSYSA-N 1 0 202.323 0.773 10 0 BCAERO [NH3+]C1CCN(C(=O)c2cncs2)CC1 ZINC000236231960 346213487 /nfs/dbraw/zinc/21/34/87/346213487.db2.gz DHBRWXBABJPINK-UHFFFAOYSA-N 1 0 211.290 0.706 10 0 BCAERO Cn1cc(C[C@H]([NH3+])[C@H]2CCSC2)nn1 ZINC000236128264 346193882 /nfs/dbraw/zinc/19/38/82/346193882.db2.gz IUHFGPKXCKGGNL-CBAPKCEASA-N 1 0 212.322 0.438 10 0 BCAERO COC(=O)[C@@H](NC(=O)C[C@H]([NH3+])C(C)C)C(C)C ZINC000136345054 346196575 /nfs/dbraw/zinc/19/65/75/346196575.db2.gz HYQAVEFWPZXJFN-ONGXEEELSA-N 1 0 244.335 0.674 10 0 BCAERO [NH3+]CCC(=O)Nc1nccc(Cl)n1 ZINC000236239986 346214384 /nfs/dbraw/zinc/21/43/84/346214384.db2.gz CZNWFEJOXASEDH-UHFFFAOYSA-N 1 0 200.629 0.417 10 0 BCAERO CCOC[C@H](O)C[NH2+][C@H](CC(C)C)CN(C)C ZINC000069278118 349944128 /nfs/dbraw/zinc/94/41/28/349944128.db2.gz PKZAQRVKRRHDSH-CHWSQXEVSA-N 1 0 246.395 0.950 10 0 BCAERO Nc1[nH+]ccn1C[C@@H]1C[C@@H]2COC[C@H]2O1 ZINC000724589159 537956711 /nfs/dbraw/zinc/95/67/11/537956711.db2.gz DLPHIRTVAKRDHC-HRDYMLBCSA-N 1 0 209.249 0.269 10 0 BCAERO Nc1[nH+]ccn1C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000724589160 537956716 /nfs/dbraw/zinc/95/67/16/537956716.db2.gz DLPHIRTVAKRDHC-VGMNWLOBSA-N 1 0 209.249 0.269 10 0 BCAERO C[N@@H+]1CCC[C@@H](CNCc2nc[nH]n2)C1 ZINC000054243264 187317697 /nfs/dbraw/zinc/31/76/97/187317697.db2.gz IWUFKXZOZVXNAW-VIFPVBQESA-N 1 0 209.297 0.236 10 0 BCAERO CNS(=O)(=O)[C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000669375940 537959830 /nfs/dbraw/zinc/95/98/30/537959830.db2.gz ZERGUBBKWBMKAM-XHNCKOQMSA-N 1 0 220.338 0.264 10 0 BCAERO C[C@@H](C[NH3+])[C@@H](O)c1cc(Br)nn1C ZINC000669377307 537964223 /nfs/dbraw/zinc/96/42/23/537964223.db2.gz LZBNSXBTLHRSNN-YLWLKBPMSA-N 1 0 248.124 0.811 10 0 BCAERO CCCC(=O)NCC(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000236714497 168548665 /nfs/dbraw/zinc/54/86/65/168548665.db2.gz BKCFZJBDEQULLP-NXEZZACHSA-N 1 0 241.335 0.146 10 0 BCAERO CC(C)S(=O)(=O)N1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000669378403 537965977 /nfs/dbraw/zinc/96/59/77/537965977.db2.gz CZXLFEQEEQTYPI-NXEZZACHSA-N 1 0 234.365 0.641 10 0 BCAERO C[NH+](C)[C@@H]1CCN(CC(F)(F)CN)C1 ZINC000308622409 537967214 /nfs/dbraw/zinc/96/72/14/537967214.db2.gz WYERMFOCYDECSQ-MRVPVSSYSA-N 1 0 207.268 0.216 10 0 BCAERO Cc1cccc(C)c1OC[C@@H](O)CNCC[NH3+] ZINC000050523366 179047363 /nfs/dbraw/zinc/04/73/63/179047363.db2.gz UANBFSIGQUETHY-LBPRGKRZSA-N 1 0 238.331 0.591 10 0 BCAERO COCCNC(=O)N(C)CC[NH2+]C(C)C ZINC000669378568 537968961 /nfs/dbraw/zinc/96/89/61/537968961.db2.gz HHMMQWPHPDNVDV-UHFFFAOYSA-N 1 0 217.313 0.272 10 0 BCAERO CN(C)S(=O)(=O)CC[C@H]([NH3+])C1CCCC1 ZINC000308783796 537969585 /nfs/dbraw/zinc/96/95/85/537969585.db2.gz WXVAMOIZFWAHHE-JTQLQIEISA-N 1 0 234.365 0.785 10 0 BCAERO Cc1noc(CN2CC[C@H](CCO)C2)n1 ZINC000161617702 346342203 /nfs/dbraw/zinc/34/22/03/346342203.db2.gz YKTUVFSJJSLFMT-SECBINFHSA-N 1 0 211.265 0.582 10 0 BCAERO COCCC(=O)N1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000669378765 537972245 /nfs/dbraw/zinc/97/22/45/537972245.db2.gz MCOYHLLIQVDLKP-NXEZZACHSA-N 1 0 214.309 0.466 10 0 BCAERO CC(C)S(=O)(=O)NCC[C@@H]1C[NH2+]C[C@H]1C ZINC000669379014 537973006 /nfs/dbraw/zinc/97/30/06/537973006.db2.gz SDKYCCLYPYRQEF-NXEZZACHSA-N 1 0 234.365 0.560 10 0 BCAERO CS(=O)(=O)N[C@H]1CCCC[C@@H]1[NH2+]CC1CC1 ZINC000381568822 346369405 /nfs/dbraw/zinc/36/94/05/346369405.db2.gz WCAQJNBNYWPPPZ-QWRGUYRKSA-N 1 0 246.376 0.846 10 0 BCAERO COCC(=O)NCC[C@@](C)([NH3+])C(F)F ZINC000669379265 537976580 /nfs/dbraw/zinc/97/65/80/537976580.db2.gz ZHANMXXEMNUZIE-MRVPVSSYSA-N 1 0 210.224 0.122 10 0 BCAERO CCN(C(=O)COC)[C@H]1CCC[NH2+]CC1 ZINC000381598662 346404389 /nfs/dbraw/zinc/40/43/89/346404389.db2.gz MQJPHWRXISJSCQ-JTQLQIEISA-N 1 0 214.309 0.623 10 0 BCAERO CC1(C[N@@H+]2CC[C@H]3OCCN[C@H]3C2)CC1 ZINC000381590372 346393307 /nfs/dbraw/zinc/39/33/07/346393307.db2.gz JEPZNLUXIAUQTH-WDEREUQCSA-N 1 0 210.321 0.849 10 0 BCAERO Nc1ncc([C@@]2(O)CCC[C@@H]([NH3+])C2)s1 ZINC000159853212 346433147 /nfs/dbraw/zinc/43/31/47/346433147.db2.gz OLVINXXIFKQRQG-HZGVNTEJSA-N 1 0 213.306 0.814 10 0 BCAERO [NH3+]C12CC(NS(=O)(=O)C3CCCC3)(C1)C2 ZINC000725241370 537979695 /nfs/dbraw/zinc/97/96/95/537979695.db2.gz DXUNYTVXNCLHCG-UHFFFAOYSA-N 1 0 230.333 0.482 10 0 BCAERO Cn1nnnc1NCC1(C)CC[NH2+]CC1 ZINC000160015017 346438461 /nfs/dbraw/zinc/43/84/61/346438461.db2.gz KHDAQWMJTFJXGY-UHFFFAOYSA-N 1 0 210.285 0.012 10 0 BCAERO C[C@H]1C[N@H+](C)CC[C@@H]1N1CC(=O)CC1=O ZINC000229621591 346441793 /nfs/dbraw/zinc/44/17/93/346441793.db2.gz TYEOSHVULILSMK-WPRPVWTQSA-N 1 0 210.277 0.128 10 0 BCAERO COc1cc(CN2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)on1 ZINC000641797554 362743230 /nfs/dbraw/zinc/74/32/30/362743230.db2.gz FJOWECFSLJWAHF-JMJZKYOTSA-N 1 0 237.303 0.852 10 0 BCAERO C[C@H](CNC1=[NH+]CCCC1)[S@@](C)=O ZINC000229725114 346454786 /nfs/dbraw/zinc/45/47/86/346454786.db2.gz GLMCLHLSQNDSCJ-AMIZOPFISA-N 1 0 202.323 0.925 10 0 BCAERO C[NH+](C)[C@@H]1CCN(C(=O)NCc2cc[nH]n2)C1 ZINC000170831335 346457090 /nfs/dbraw/zinc/45/70/90/346457090.db2.gz RUHVELDUQWMCOF-SNVBAGLBSA-N 1 0 237.307 0.255 10 0 BCAERO COCC[C@@H](C)NC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170836105 346459844 /nfs/dbraw/zinc/45/98/44/346459844.db2.gz UDLLCCVENXSFSY-GHMZBOCLSA-N 1 0 243.351 0.757 10 0 BCAERO C[NH+](C)[C@H]1CCN(C(=O)NC[C@@H]2CCCO2)C1 ZINC000170861482 346462138 /nfs/dbraw/zinc/46/21/38/346462138.db2.gz QANRMAXKDQBKQE-QWRGUYRKSA-N 1 0 241.335 0.511 10 0 BCAERO CC(=O)c1c[nH]c(C(=O)N2CC[C@@H]([NH+](C)C)C2)c1 ZINC000170858525 346463012 /nfs/dbraw/zinc/46/30/12/346463012.db2.gz WCQSGQBAZUZKPQ-LLVKDONJSA-N 1 0 249.314 0.993 10 0 BCAERO C[C@H]1CSC(NN2CCN(C)CC2)=[NH+]1 ZINC000148834926 346464957 /nfs/dbraw/zinc/46/49/57/346464957.db2.gz ZSIKZVHRJVFYRO-QMMMGPOBSA-N 1 0 214.338 0.230 10 0 BCAERO CCCCS(=O)(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170873469 346465055 /nfs/dbraw/zinc/46/50/55/346465055.db2.gz TZPCXXOWLHUUNW-SNVBAGLBSA-N 1 0 234.365 0.752 10 0 BCAERO C[C@H]([C@H](C)C(=O)[O-])[N@@H+]1CCC[C@@H]([NH3+])C1 ZINC000222011812 349970212 /nfs/dbraw/zinc/97/02/12/349970212.db2.gz DZOOJMYUUDSKBO-DJLDLDEBSA-N 1 0 200.282 0.519 10 0 BCAERO CCCCNC(=O)NC[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000675055049 537982326 /nfs/dbraw/zinc/98/23/26/537982326.db2.gz XXNCMOCXYYUGFO-MYJAWHEDSA-N 1 0 211.309 0.551 10 0 BCAERO CS(=O)(=O)c1cnn(C2CCC([NH3+])CC2)c1 ZINC000725242034 537983247 /nfs/dbraw/zinc/98/32/47/537983247.db2.gz AQMKCEZKQKZQGW-UHFFFAOYSA-N 1 0 243.332 0.729 10 0 BCAERO Cc1cccc(N(C(N)=[NH2+])C(N)=S)c1 ZINC000039124930 179111000 /nfs/dbraw/zinc/11/10/00/179111000.db2.gz YKEIQSSBDKPRLI-UHFFFAOYSA-N 1 0 208.290 0.938 10 0 BCAERO COCCN1CC[N@H+](C[C@@H](C)COC)C[C@H]1C ZINC000187210822 346560048 /nfs/dbraw/zinc/56/00/48/346560048.db2.gz JLJLQGBEALWCQN-CHWSQXEVSA-N 1 0 244.379 0.921 10 0 BCAERO CS(=O)(=O)c1cnn([C@H]2CC[C@H]2C[NH3+])c1 ZINC000725242133 537984476 /nfs/dbraw/zinc/98/44/76/537984476.db2.gz HSDXOLHUDOBSIK-CBAPKCEASA-N 1 0 229.305 0.196 10 0 BCAERO CC1CC([NH2+][C@H]2CCS(=O)(=O)C2)C1 ZINC000163878660 346580307 /nfs/dbraw/zinc/58/03/07/346580307.db2.gz FABRKGAXVLUUCL-MGURRDGZSA-N 1 0 203.307 0.562 10 0 BCAERO [NH3+][C@H]1CCC[C@@H]1c1nn2cnnc2s1 ZINC000163885472 346580857 /nfs/dbraw/zinc/58/08/57/346580857.db2.gz IGKFMXJNGOEUDA-WDSKDSINSA-N 1 0 209.278 0.781 10 0 BCAERO [NH3+][C@@H]1CCC[C@@H]1c1nn2cnnc2s1 ZINC000163885706 346580931 /nfs/dbraw/zinc/58/09/31/346580931.db2.gz IGKFMXJNGOEUDA-NTSWFWBYSA-N 1 0 209.278 0.781 10 0 BCAERO O=C(N[C@H]1CCCSC1)C1C[NH2+]C1 ZINC000164147739 346592510 /nfs/dbraw/zinc/59/25/10/346592510.db2.gz FVXNDRGBABFPGQ-QMMMGPOBSA-N 1 0 200.307 0.218 10 0 BCAERO COC1CCC2(CC1)OC[C@H](C[NH3+])O2 ZINC000164367691 346602523 /nfs/dbraw/zinc/60/25/23/346602523.db2.gz VBMYNKHROZLWOD-KYHHOPLUSA-N 1 0 201.266 0.646 10 0 BCAERO Cc1ccc(N2CC[NH2+]CC2)c(CO)c1 ZINC000205209313 346671338 /nfs/dbraw/zinc/67/13/38/346671338.db2.gz XNUCGBUEJFOJGT-UHFFFAOYSA-N 1 0 206.289 0.897 10 0 BCAERO C[C@]1(C(=O)NC2CC([NH3+])C2)CCCS1 ZINC000164804789 346626948 /nfs/dbraw/zinc/62/69/48/346626948.db2.gz UHPLRUGLNGFMPC-SFVIPPHHSA-N 1 0 214.334 0.878 10 0 BCAERO CO[C@H]1C[NH2+][C@@H](C(=O)Nc2ccc(C)nc2)C1 ZINC000164840943 346628993 /nfs/dbraw/zinc/62/89/93/346628993.db2.gz YWXLKFSTROBSNL-GHMZBOCLSA-N 1 0 235.287 0.705 10 0 BCAERO [NH3+]C1CCN(c2ccnc3nncn32)CC1 ZINC000584904558 346641273 /nfs/dbraw/zinc/64/12/73/346641273.db2.gz UUJQQEYDMAOLIR-UHFFFAOYSA-N 1 0 218.264 0.052 10 0 BCAERO COC[C@@H](C)C[NH2+][C@@H]1CCCn2ncnc21 ZINC000188082090 346741023 /nfs/dbraw/zinc/74/10/23/346741023.db2.gz GNDKBVFSBCKRJW-VHSXEESVSA-N 1 0 224.308 0.985 10 0 BCAERO COCCC[C@H](C)[NH2+]C[C@@H]1CN(C)CCO1 ZINC000180495245 346747451 /nfs/dbraw/zinc/74/74/51/346747451.db2.gz XCLYRIOIAZYEBT-NWDGAFQWSA-N 1 0 230.352 0.722 10 0 BCAERO CC(=O)NCCN(C)C(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000308205070 346747508 /nfs/dbraw/zinc/74/75/08/346747508.db2.gz YDASPODUFPCLAD-MNOVXSKESA-N 1 0 241.335 0.098 10 0 BCAERO C[C@H](CCCO)NC(=O)C[C@H]1CCC[NH2+]C1 ZINC000087359976 365865192 /nfs/dbraw/zinc/86/51/92/365865192.db2.gz XARLJBNQAVJTOY-GHMZBOCLSA-N 1 0 228.336 0.653 10 0 BCAERO C[C@@H]1C[C@@H]([NH2+]CCn2cncn2)c2nccn21 ZINC000381743950 346796564 /nfs/dbraw/zinc/79/65/64/346796564.db2.gz ZYOSCJTXCVQVQN-NXEZZACHSA-N 1 0 232.291 0.770 10 0 BCAERO C[C@H]1[NH2+]CCC[C@H]1C(=O)N[C@@H]1CCSC1 ZINC000378670240 346801250 /nfs/dbraw/zinc/80/12/50/346801250.db2.gz CQWNGXAQHNZMSG-OPRDCNLKSA-N 1 0 228.361 0.996 10 0 BCAERO [NH3+]CCc1cc(Cl)ccc1-n1cnnn1 ZINC000098208710 346801862 /nfs/dbraw/zinc/80/18/62/346801862.db2.gz VMVXFDLIHIAWEH-UHFFFAOYSA-N 1 0 223.667 0.817 10 0 in-vitro BCAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)c1ccccc1O ZINC000336529216 347136040 /nfs/dbraw/zinc/13/60/40/347136040.db2.gz FFAWVSIGEYBLDK-PSASIEDQSA-N 1 0 220.272 0.954 10 0 BCAERO CO[C@@H]1CN(CCc2cn[nH]c2)[C@](C)(C[NH3+])C1 ZINC000641819057 362771396 /nfs/dbraw/zinc/77/13/96/362771396.db2.gz HAQCVWXPNIPRNY-RYUDHWBXSA-N 1 0 238.335 0.390 10 0 BCAERO CO[C@H]1CN(CCc2cn[nH]c2)[C@](C)(C[NH3+])C1 ZINC000641819055 362771400 /nfs/dbraw/zinc/77/14/00/362771400.db2.gz HAQCVWXPNIPRNY-NEPJUHHUSA-N 1 0 238.335 0.390 10 0 BCAERO OC[C@H]1C[C@@H](O)C[N@@H+]1C[C@@H](O)c1ccccc1 ZINC000185150709 347191434 /nfs/dbraw/zinc/19/14/34/347191434.db2.gz IUYGCLGKLZQKMX-JHJVBQTASA-N 1 0 237.299 0.148 10 0 BCAERO Cc1cccc([C@@H](C[NH3+])N(CCO)CCO)c1 ZINC000042966789 179184110 /nfs/dbraw/zinc/18/41/10/179184110.db2.gz IHSKATXVYOKOQN-CYBMUJFWSA-N 1 0 238.331 0.281 10 0 BCAERO COC(=O)CCN1CCCCC[C@H]([NH3+])C1 ZINC000601323671 347203569 /nfs/dbraw/zinc/20/35/69/347203569.db2.gz DFKVYFAGPYJDKS-JTQLQIEISA-N 1 0 214.309 0.753 10 0 BCAERO Cc1cccc([C@@H](O)CNC(=O)[C@@H](C)[NH3+])c1 ZINC000157635962 179187998 /nfs/dbraw/zinc/18/79/98/179187998.db2.gz RBSIFFQNPCHWRL-KOLCDFICSA-N 1 0 222.288 0.492 10 0 BCAERO CN(Cc1ccsc1)[C@@H]1C[NH2+]C[C@H]1O ZINC000250231467 362797232 /nfs/dbraw/zinc/79/72/32/362797232.db2.gz MNJBSSZBFQBTKL-NXEZZACHSA-N 1 0 212.318 0.513 10 0 BCAERO CCCCOC[C@H](O)C[N@@H+]1C[C@@H](C)[C@H](O)C1 ZINC000388220318 347248508 /nfs/dbraw/zinc/24/85/08/347248508.db2.gz WURUJCDKPWSMMD-IJLUTSLNSA-N 1 0 231.336 0.477 10 0 BCAERO CCCCOC[C@@H](O)C[NH2+][C@@H](C)CC(=O)NC ZINC000322643226 323142582 /nfs/dbraw/zinc/14/25/82/323142582.db2.gz UXKSVTPKMQGKOS-QWRGUYRKSA-N 1 0 246.351 0.278 10 0 BCAERO [NH3+][C@@H]1CSC[C@@H]1[C@H]1CCS(=O)(=O)C1 ZINC000250796863 362822189 /nfs/dbraw/zinc/82/21/89/362822189.db2.gz AQERVOBYBNYGQS-XLPZGREQSA-N 1 0 221.347 0.111 10 0 BCAERO CC[C@@H]1CC[NH2+]C[C@@H]1NC(=O)CC(=O)OC ZINC000616568672 347449931 /nfs/dbraw/zinc/44/99/31/347449931.db2.gz CLTMODNNCZQGJM-BDAKNGLRSA-N 1 0 228.292 0.054 10 0 BCAERO O[C@@H]1CCC[C@H]1[NH2+]CC1(O)CCOCC1 ZINC000088034365 362835447 /nfs/dbraw/zinc/83/54/47/362835447.db2.gz WOQHFMIDOMSENI-NXEZZACHSA-N 1 0 215.293 0.031 10 0 BCAERO CC(C)(O)CC[NH2+]CC1(O)CCOCC1 ZINC000088034334 362835876 /nfs/dbraw/zinc/83/58/76/362835876.db2.gz VTRADYPDVBEZRI-UHFFFAOYSA-N 1 0 217.309 0.279 10 0 BCAERO O[C@@H]1CCCC[C@H]1[NH2+]CC1(O)CCOCC1 ZINC000088034307 362836112 /nfs/dbraw/zinc/83/61/12/362836112.db2.gz SLTSFRODHPMWRB-GHMZBOCLSA-N 1 0 229.320 0.421 10 0 BCAERO CS(=O)(=O)N1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000250958542 362827576 /nfs/dbraw/zinc/82/75/76/362827576.db2.gz TWYWCSKUNOGOIL-BDAKNGLRSA-N 1 0 218.322 0.162 10 0 BCAERO NC(=S)[C@@H]1CCC[N@@H+]1C[C@H]1CCCO1 ZINC000250977625 362828732 /nfs/dbraw/zinc/82/87/32/362828732.db2.gz AYPOIBOOWQYHDM-BDAKNGLRSA-N 1 0 214.334 0.916 10 0 BCAERO CC[C@H](C(=O)[O-])[N@@H+]1C[C@@H](C)C[C@H]([NH3+])C1 ZINC000251199106 362844661 /nfs/dbraw/zinc/84/46/61/362844661.db2.gz FXJZXLPPFFNYQR-XHNCKOQMSA-N 1 0 200.282 0.519 10 0 BCAERO C[C@@H](C(=O)OCc1ccccc1)[C@H]([NH3+])O ZINC000207724977 347580990 /nfs/dbraw/zinc/58/09/90/347580990.db2.gz QSMIAXLDYNPSBC-PSASIEDQSA-N 1 0 209.245 0.643 10 0 BCAERO C[NH2+][C@@H](C=C(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000150047833 347591944 /nfs/dbraw/zinc/59/19/44/347591944.db2.gz GTTOVRSVOFCCCJ-UWVGGRQHSA-N 1 0 217.334 0.975 10 0 BCAERO [NH3+]Cc1cnc2c(c1)C1(CCC(=O)CC1)C(=O)N2 ZINC000616569507 347696529 /nfs/dbraw/zinc/69/65/29/347696529.db2.gz VJCKWQWCTXKPJU-UHFFFAOYSA-N 1 0 245.282 0.873 10 0 BCAERO CS[C@@H]1CC[C@@H]1[NH2+]C1CCN(CCO)CC1 ZINC000591835645 347703259 /nfs/dbraw/zinc/70/32/59/347703259.db2.gz ZHLRAUZUVWSGRE-NWDGAFQWSA-N 1 0 244.404 0.927 10 0 BCAERO C[C@@]([NH3+])(CCNS(=O)(=O)C1CC1)C(F)F ZINC000669380943 537992582 /nfs/dbraw/zinc/99/25/82/537992582.db2.gz TZJIZHLUQRDVLJ-MRVPVSSYSA-N 1 0 242.291 0.441 10 0 BCAERO Cc1ccccc1N(C)S(=O)(=O)CC[NH3+] ZINC000020261539 179294711 /nfs/dbraw/zinc/29/47/11/179294711.db2.gz BFJLZARGFBLFPS-UHFFFAOYSA-N 1 0 228.317 0.720 10 0 BCAERO COc1ccc([C@H](C(CO)CO)[NH+](C)C)cc1 ZINC000196151552 347810794 /nfs/dbraw/zinc/81/07/94/347810794.db2.gz GIVYAEFPTNGOTK-CYBMUJFWSA-N 1 0 239.315 0.899 10 0 BCAERO O=C(NC1CCC2(CC1)C[NH2+]CCO2)C1CC1 ZINC000725243827 537994497 /nfs/dbraw/zinc/99/44/97/537994497.db2.gz JQSIYGYUCJASJI-UHFFFAOYSA-N 1 0 238.331 0.814 10 0 BCAERO CCCCOC[C@H](O)C[NH2+][C@@H]1CCC[C@H]1O ZINC000323173637 347953209 /nfs/dbraw/zinc/95/32/09/347953209.db2.gz NMLDCVVCZWRYEX-IJLUTSLNSA-N 1 0 231.336 0.667 10 0 BCAERO C[NH2+]CCC(=O)N1CCC[C@@H](C(=O)OC)C1 ZINC000593911490 347970199 /nfs/dbraw/zinc/97/01/99/347970199.db2.gz HRIYNNZUXAJBKY-SECBINFHSA-N 1 0 228.292 0.008 10 0 BCAERO COC(=O)[C@@H]1CCCN(C(=O)[C@H]([NH3+])C(C)C)C1 ZINC000593911856 347970213 /nfs/dbraw/zinc/97/02/13/347970213.db2.gz ODHXZEJBQNYBFG-NXEZZACHSA-N 1 0 242.319 0.381 10 0 BCAERO Cc1ccccc1[C@@H]([C@@H](C)[NH3+])N(C)CC(N)=O ZINC000043034664 179327457 /nfs/dbraw/zinc/32/74/57/179327457.db2.gz NXEVECIBZOCXBI-ZWNOBZJWSA-N 1 0 235.331 0.800 10 0 BCAERO CC[C@@H]([NH3+])C(=O)N[C@H]1CCC[C@H](O)C1 ZINC000037001112 348000912 /nfs/dbraw/zinc/00/09/12/348000912.db2.gz YLQSBHPAQJCUNK-XHNCKOQMSA-N 1 0 200.282 0.143 10 0 BCAERO [NH3+]C[C@H](N1CCSCC1)C(F)(F)F ZINC000037169550 348024915 /nfs/dbraw/zinc/02/49/15/348024915.db2.gz WQNSGEXEZZDZPO-LURJTMIESA-N 1 0 214.256 0.925 10 0 BCAERO COC(=O)C(=O)N1CCC(C(C)(C)C[NH3+])CC1 ZINC000616570439 348066354 /nfs/dbraw/zinc/06/63/54/348066354.db2.gz GGTFPJFGLHJMHB-UHFFFAOYSA-N 1 0 242.319 0.383 10 0 BCAERO CC[C@H]1CCN(C(=O)CCOC)C[C@H]1[NH3+] ZINC000616570486 348066859 /nfs/dbraw/zinc/06/68/59/348066859.db2.gz MWXKNTPTSDXQSS-VHSXEESVSA-N 1 0 214.309 0.609 10 0 BCAERO C[N@H+](CC[C@@H](N)C(N)=O)C1CCCCC1 ZINC000062442883 537996985 /nfs/dbraw/zinc/99/69/85/537996985.db2.gz HHMXCFMIWDIFIX-SNVBAGLBSA-N 1 0 213.325 0.454 10 0 BCAERO Cc1ccccc1[C@H]([C@H](C)[NH3+])N(C)CC(N)=O ZINC000043034675 179346892 /nfs/dbraw/zinc/34/68/92/179346892.db2.gz NXEVECIBZOCXBI-GWCFXTLKSA-N 1 0 235.331 0.800 10 0 BCAERO COC(=O)c1cncc(N(C)CC(C)(C)[NH3+])n1 ZINC000594692975 348099951 /nfs/dbraw/zinc/09/99/51/348099951.db2.gz GZYRFNDAAJWWDP-UHFFFAOYSA-N 1 0 238.291 0.437 10 0 BCAERO CCC(CC)[NH2+]C[C@@H](O)C(=O)N1CCCC1 ZINC000669381931 537999398 /nfs/dbraw/zinc/99/93/98/537999398.db2.gz ANXDDBFOEDMQCB-LLVKDONJSA-N 1 0 228.336 0.748 10 0 BCAERO CCOC(=O)CC(=O)N1CC[C@H](C)[C@@H]([NH3+])C1 ZINC000616571294 348198198 /nfs/dbraw/zinc/19/81/98/348198198.db2.gz WQOKIOSKKCXJID-IUCAKERBSA-N 1 0 228.292 0.135 10 0 BCAERO CC[C@@H]1CS[C@H]2CS(=O)(=O)CC[C@H]2[NH2+]1 ZINC000251336276 362863637 /nfs/dbraw/zinc/86/36/37/362863637.db2.gz ODJYCNWKYTXAEN-HLTSFMKQSA-N 1 0 235.374 0.657 10 0 BCAERO Cc1cccnc1N1CCC[N@H+](CCO)CC1 ZINC000071349694 179388570 /nfs/dbraw/zinc/38/85/70/179388570.db2.gz QUSLWOBDTLIWTB-UHFFFAOYSA-N 1 0 235.331 0.894 10 0 BCAERO CN(C[C@H](O)C(F)(F)F)C[C@H]1CC[N@H+](C)C1 ZINC000082680335 348317396 /nfs/dbraw/zinc/31/73/96/348317396.db2.gz LEQGRHSZRUNCSQ-IUCAKERBSA-N 1 0 240.269 0.793 10 0 BCAERO C[C@@H]1C[NH2+][C@@H]2CCOC[C@H]2[S@@](=O)C1 ZINC000251531753 362884459 /nfs/dbraw/zinc/88/44/59/362884459.db2.gz AJCVREMJKAVGFJ-LHGDZMGGSA-N 1 0 203.307 0.132 10 0 BCAERO C[C@@H]1C[NH2+][C@@H]2CCOC[C@H]2[S@](=O)C1 ZINC000251531765 362884677 /nfs/dbraw/zinc/88/46/77/362884677.db2.gz AJCVREMJKAVGFJ-WBPNIITGSA-N 1 0 203.307 0.132 10 0 BCAERO C[C@H](C[N@@H+]1CC[C@H](C)[C@H]([NH3+])C1)C(=O)[O-] ZINC000251747690 362905329 /nfs/dbraw/zinc/90/53/29/362905329.db2.gz SAOCHVOZBHFVPH-DJLDLDEBSA-N 1 0 200.282 0.376 10 0 BCAERO CCCNC(=O)C[N@@H+]1CCC[C@H](O)[C@H]1C ZINC000395015802 323185124 /nfs/dbraw/zinc/18/51/24/323185124.db2.gz NRQYYDNFPMOQQT-ZJUUUORDSA-N 1 0 214.309 0.358 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)N(C)C2CC[NH2+]CC2)O1 ZINC000088142038 362907708 /nfs/dbraw/zinc/90/77/08/362907708.db2.gz DBCWXOBCGLSINT-MWLCHTKSSA-N 1 0 226.320 0.764 10 0 BCAERO C[C@@H]1C[C@@H]([NH2+][C@H]2CCC(=O)NC2)CS1 ZINC000251757093 362907958 /nfs/dbraw/zinc/90/79/58/362907958.db2.gz DKZDTECJQQZZMI-HRDYMLBCSA-N 1 0 214.334 0.749 10 0 BCAERO CO[C@]1(CNC2=[NH+]CCS2)CCOC1 ZINC000159294540 349985280 /nfs/dbraw/zinc/98/52/80/349985280.db2.gz BSBDVVUEQREJFT-VIFPVBQESA-N 1 0 216.306 0.484 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)NCc1cocn1 ZINC000397795039 362913077 /nfs/dbraw/zinc/91/30/77/362913077.db2.gz BEVSRHJGFXHTMG-SECBINFHSA-N 1 0 211.265 0.664 10 0 BCAERO C[C@H]([NH2+][C@H]1CCCNC(=O)C1)[C@H]1CCCO1 ZINC000251723184 362900748 /nfs/dbraw/zinc/90/07/48/362900748.db2.gz ZENLGPIUXQCRNS-GARJFASQSA-N 1 0 226.320 0.812 10 0 BCAERO CSCC(=O)N(C)[C@H](C[NH3+])C(F)(F)F ZINC000596002046 348412089 /nfs/dbraw/zinc/41/20/89/348412089.db2.gz QRSCCARASKJMPM-RXMQYKEDSA-N 1 0 230.255 0.697 10 0 BCAERO CCOC(=O)[C@@H]1O[C@]1(C)CC[NH+](C)C ZINC000669382130 538003113 /nfs/dbraw/zinc/00/31/13/538003113.db2.gz ALNGDMMRRSLPOL-WCBMZHEXSA-N 1 0 201.266 0.659 10 0 BCAERO CCCN1CCC(=O)[C@]2(C[NH2+]C[C@@H]2C)C1 ZINC000725246169 538004264 /nfs/dbraw/zinc/00/42/64/538004264.db2.gz RAKAGSFUBMEEPT-CMPLNLGQSA-N 1 0 210.321 0.897 10 0 BCAERO C[C@@H]1C[NH2+]C[C@@]12OC(C)(C)OC[C@@H]2O ZINC000725246043 538004338 /nfs/dbraw/zinc/00/43/38/538004338.db2.gz QLFRTQYVDLDCCV-KHQFGBGNSA-N 1 0 201.266 0.108 10 0 BCAERO O=C([C@H](O)C[NH2+]C1CCC1)N1CCCC1 ZINC000669381989 538002769 /nfs/dbraw/zinc/00/27/69/538002769.db2.gz CWADGXVEMVJKDO-SNVBAGLBSA-N 1 0 212.293 0.112 10 0 BCAERO CC(C)N1CCC(=O)[C@@]2(C[NH2+]C[C@@H]2C)C1 ZINC000725245966 538005082 /nfs/dbraw/zinc/00/50/82/538005082.db2.gz OLVJWQYSFIUAGV-JQWIXIFHSA-N 1 0 210.321 0.895 10 0 BCAERO Cc1ccnc([S@@](=O)[C@H]2CC[NH2+]C2)n1 ZINC000095069272 179469634 /nfs/dbraw/zinc/46/96/34/179469634.db2.gz GGYOYDOYFZPCRU-RMLUDKJBSA-N 1 0 211.290 0.255 10 0 BCAERO Cc1ccnc([S@@](=O)C[C@H]2CCC[NH2+]2)n1 ZINC000095069286 179469893 /nfs/dbraw/zinc/46/98/93/179469893.db2.gz UGDCLWSHDKYNDY-RFAUZJTJSA-N 1 0 225.317 0.645 10 0 BCAERO C[C@H]([NH2+][C@@H]1CCS(=O)(=O)C1)C1(C)CC1 ZINC000037467562 348610560 /nfs/dbraw/zinc/61/05/60/348610560.db2.gz USIBXRGSGHDSHY-DTWKUNHWSA-N 1 0 217.334 0.952 10 0 BCAERO C[C@H](CO)NC(=O)C1CCC([NH3+])CC1 ZINC000037482086 348618004 /nfs/dbraw/zinc/61/80/04/348618004.db2.gz ALUVEPAAYAFSOG-AFPNSQJFSA-N 1 0 200.282 0.001 10 0 BCAERO CCSCC[NH2+]C[C@H]1CC(=O)N(C)C1 ZINC000597214245 348689814 /nfs/dbraw/zinc/68/98/14/348689814.db2.gz UKBLOYUDLPOYKR-SECBINFHSA-N 1 0 216.350 0.807 10 0 BCAERO [NH3+][C@H]1C[C@]12CNc1cc3c(cc12)OCCO3 ZINC000725247067 538011436 /nfs/dbraw/zinc/01/14/36/538011436.db2.gz GNLLQWWYRQPHOV-NWDGAFQWSA-N 1 0 218.256 0.852 10 0 BCAERO CC[NH2+]C[C@@H](O)C(=O)c1ccc(F)cc1 ZINC000669383585 538013505 /nfs/dbraw/zinc/01/35/05/538013505.db2.gz UWZGJCGZXKZESH-SNVBAGLBSA-N 1 0 211.236 0.979 10 0 BCAERO C[C@H]([NH3+])CCN1C[C@H](C)CS1(=O)=O ZINC000251827563 362931230 /nfs/dbraw/zinc/93/12/30/362931230.db2.gz PHSTWCPSSJXCQG-YUMQZZPRSA-N 1 0 206.311 0.005 10 0 BCAERO C[C@H]1CN([C@H]2CCC[N@H+](C)C2)CCC1=O ZINC000251824899 362931293 /nfs/dbraw/zinc/93/12/93/362931293.db2.gz PEASEVIYIYXOBV-QWRGUYRKSA-N 1 0 210.321 0.992 10 0 BCAERO C[NH2+][C@H](C)C(=O)NCCCOCC(C)C ZINC000054071959 348874548 /nfs/dbraw/zinc/87/45/48/348874548.db2.gz RVSYFQBSHOAOGK-SNVBAGLBSA-N 1 0 216.325 0.773 10 0 BCAERO C[NH2+][C@H](C)C(=O)N(CCCOC)CCOC ZINC000054075606 348877653 /nfs/dbraw/zinc/87/76/53/348877653.db2.gz IACYOXRFYUDGAU-SNVBAGLBSA-N 1 0 232.324 0.106 10 0 BCAERO CCC(CC)[NH2+][C@H]1COC[C@H]1n1ccnn1 ZINC000344481971 535083525 /nfs/dbraw/zinc/08/35/25/535083525.db2.gz NLZGIGPCVODLDQ-WDEREUQCSA-N 1 0 224.308 0.996 10 0 BCAERO Cc1cc(CNC(=O)C[C@H]2CCC[NH2+]C2)no1 ZINC000054309017 348975287 /nfs/dbraw/zinc/97/52/87/348975287.db2.gz YEQFTCCYEYPLNI-SNVBAGLBSA-N 1 0 237.303 0.989 10 0 BCAERO O=C(C[C@H]1CCC[NH2+]C1)NC[C@H]1CCCOC1 ZINC000054292261 348963478 /nfs/dbraw/zinc/96/34/78/348963478.db2.gz HZFFWYYCBOITBI-VXGBXAGGSA-N 1 0 240.347 0.919 10 0 BCAERO Cn1cc(CNC(=O)C[C@H]2CCC[NH2+]C2)cn1 ZINC000054292399 348964096 /nfs/dbraw/zinc/96/40/96/348964096.db2.gz YYIXKKZPXCRQMI-SNVBAGLBSA-N 1 0 236.319 0.426 10 0 BCAERO O=C(C[C@@H]1CCC[NH2+]C1)N[C@@H]1CCCC[C@H]1O ZINC000054292915 348965156 /nfs/dbraw/zinc/96/51/56/348965156.db2.gz VMYWRNCQQJCKAK-QJPTWQEYSA-N 1 0 240.347 0.796 10 0 BCAERO C[C@@H]1C[C@@H](NC(=O)[C@@]2(C)CCCC[NH2+]2)CO1 ZINC000401988848 349040267 /nfs/dbraw/zinc/04/02/67/349040267.db2.gz CBBKDSPJVOUWSQ-CKYFFXLPSA-N 1 0 226.320 0.812 10 0 BCAERO CCCC[C@@H]([NH3+])c1nnc2c(=O)n(C)ccn21 ZINC000616574108 349076580 /nfs/dbraw/zinc/07/65/80/349076580.db2.gz OTJACGBRJNRSIX-MRVPVSSYSA-N 1 0 235.291 0.618 10 0 BCAERO CCN1C(=O)c2ccc(C(N)=[NH2+])cc2C1=O ZINC000616574549 349079761 /nfs/dbraw/zinc/07/97/61/349079761.db2.gz SKSQOXNCZYVLAD-UHFFFAOYSA-N 1 0 217.228 0.587 10 0 BCAERO Cc1cc(C)nc(C[C@@H]2C[NH2+]CCOC2)n1 ZINC000616575416 349095405 /nfs/dbraw/zinc/09/54/05/349095405.db2.gz KFLDTEZLYYNABT-LLVKDONJSA-N 1 0 221.304 0.872 10 0 BCAERO CC(=O)N1CC2(CC[NH2+]CC2)C[C@H](O)C1(C)C ZINC000616577075 349105324 /nfs/dbraw/zinc/10/53/24/349105324.db2.gz CXOGKZONBWQXPJ-NSHDSACASA-N 1 0 240.347 0.748 10 0 BCAERO CC[C@@H]1CCN(C(=O)CC(=O)OC)C[C@H]1[NH3+] ZINC000616572609 349061760 /nfs/dbraw/zinc/06/17/60/349061760.db2.gz WXDCXVAVVRTIJZ-RKDXNWHRSA-N 1 0 228.292 0.135 10 0 BCAERO O=C(CC1CC1)N1CCC2(C[NH2+]C2)CC1 ZINC000616572975 349064628 /nfs/dbraw/zinc/06/46/28/349064628.db2.gz VJGISPGUDJXJPF-UHFFFAOYSA-N 1 0 208.305 0.999 10 0 BCAERO COCC(=O)N1CC[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000616572068 349065295 /nfs/dbraw/zinc/06/52/95/349065295.db2.gz TZKXFWJLJILPOY-QWHCGFSZSA-N 1 0 248.326 0.976 10 0 BCAERO CCOC(=O)CC(=O)N(CC)[C@@H]1CC[NH2+]C1 ZINC000616572414 349065780 /nfs/dbraw/zinc/06/57/80/349065780.db2.gz MFRMMFXPQBITJF-SECBINFHSA-N 1 0 228.292 0.150 10 0 BCAERO C[C@H](CO)[NH2+][C@H]1C2CCN(CC2)C12CC2 ZINC000616578646 349126170 /nfs/dbraw/zinc/12/61/70/349126170.db2.gz PAMZZMWPSWLFCZ-KOLCDFICSA-N 1 0 210.321 0.584 10 0 BCAERO C[NH2+][C@H](Cn1cc(S(C)(=O)=O)cn1)C(C)C ZINC000725251897 538031854 /nfs/dbraw/zinc/03/18/54/538031854.db2.gz HQTHONPDKAFYAC-SNVBAGLBSA-N 1 0 245.348 0.531 10 0 BCAERO C[C@@H]([NH3+])CCn1cc(S(C)(=O)=O)cn1 ZINC000725251874 538031985 /nfs/dbraw/zinc/03/19/85/538031985.db2.gz HHVXFLVMSIRBRK-SSDOTTSWSA-N 1 0 217.294 0.024 10 0 BCAERO O=C(Nc1ccc[nH]c1=O)[C@H]1CC[NH2+]C1 ZINC000238711113 490230896 /nfs/dbraw/zinc/23/08/96/490230896.db2.gz ZHBTWQIILDKKRR-ZETCQYMHSA-N 1 0 207.233 0.335 10 0 BCAERO O[C@H](C[NH2+][C@@H]1CCCC[C@H]1O)COCC1CC1 ZINC000251425243 349187401 /nfs/dbraw/zinc/18/74/01/349187401.db2.gz STLDHYQPIOIUJI-JHJVBQTASA-N 1 0 243.347 0.667 10 0 BCAERO C[C@@H]1CN2CCCC[C@H]2CN1C(=O)C1([NH3+])CC1 ZINC000251879807 349192677 /nfs/dbraw/zinc/19/26/77/349192677.db2.gz URRDCOOUUWGDML-MNOVXSKESA-N 1 0 237.347 0.563 10 0 BCAERO CCc1csc(N2CCN(C)C[C@H]2C[NH3+])n1 ZINC000250264574 349168511 /nfs/dbraw/zinc/16/85/11/349168511.db2.gz HANVYKUFIVCMHW-SNVBAGLBSA-N 1 0 240.376 0.785 10 0 BCAERO CC[C@H](C(=[NH2+])NO)n1cc(S(C)(=O)=O)cn1 ZINC000725253002 538034794 /nfs/dbraw/zinc/03/47/94/538034794.db2.gz ZUIMAVZQAUXCJQ-SSDOTTSWSA-N 1 0 246.292 0.194 10 0 BCAERO CC[C@H]([NH3+])CCCn1cc(S(C)(=O)=O)cn1 ZINC000725252938 538034858 /nfs/dbraw/zinc/03/48/58/538034858.db2.gz PQEIPPQNRGKBJU-VIFPVBQESA-N 1 0 245.348 0.804 10 0 BCAERO CC[NH2+][C@@H](CC)Cn1cc(S(C)(=O)=O)cn1 ZINC000725253272 538036087 /nfs/dbraw/zinc/03/60/87/538036087.db2.gz SVMKVMWQFDNBRE-VIFPVBQESA-N 1 0 245.348 0.675 10 0 BCAERO CC(C)S(=O)(=O)CCN1CCCC[C@H]1C[NH3+] ZINC000217934013 535092347 /nfs/dbraw/zinc/09/23/47/535092347.db2.gz SSRPCTGGXLUHTR-NSHDSACASA-N 1 0 248.392 0.623 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)N2CCC[C@H]2C[NH3+])O1 ZINC000251950059 349194435 /nfs/dbraw/zinc/19/44/35/349194435.db2.gz WSIOXZYNRDYCAR-KXUCPTDWSA-N 1 0 212.293 0.504 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)NC[C@H]2CCC[NH2+]2)O1 ZINC000251959641 349194582 /nfs/dbraw/zinc/19/45/82/349194582.db2.gz XLMBOGIBPDNPNW-OPRDCNLKSA-N 1 0 212.293 0.422 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)N[C@H]2CC[NH2+]C[C@H]2C)O1 ZINC000251990178 349195147 /nfs/dbraw/zinc/19/51/47/349195147.db2.gz ZGGOGNHDWCGOBW-CHWFTXMASA-N 1 0 226.320 0.668 10 0 BCAERO CC[NH2+]C[C@@H]1C[C@@]12CCS(=O)(=O)C2 ZINC000062963559 349292697 /nfs/dbraw/zinc/29/26/97/349292697.db2.gz VFOWAEACUGGKTI-DTWKUNHWSA-N 1 0 203.307 0.421 10 0 BCAERO Cc1n[nH]c(C)c1C[NH2+][C@H]1CCS(=O)(=O)C1 ZINC000036864483 179825794 /nfs/dbraw/zinc/82/57/94/179825794.db2.gz IRTNXTQSXITUFT-VIFPVBQESA-N 1 0 243.332 0.303 10 0 BCAERO CC[C@@H](Cn1cc(S(C)(=O)=O)cn1)[NH2+]C ZINC000725253415 538037088 /nfs/dbraw/zinc/03/70/88/538037088.db2.gz VDQCGSRQTIXGQM-QMMMGPOBSA-N 1 0 231.321 0.285 10 0 BCAERO CCOC(=O)C1=C(O)[C@@H]2CCCC[N@@H+]2CC1 ZINC000616581719 349287390 /nfs/dbraw/zinc/28/73/90/349287390.db2.gz BCNSNQRFDAMMSJ-UWVGGRQHSA-N 1 0 225.288 0.993 10 0 BCAERO C[NH2+][C@H](C)CCCn1cc(S(C)(=O)=O)cn1 ZINC000725253656 538039540 /nfs/dbraw/zinc/03/95/40/538039540.db2.gz YRECUOUHXUUZGR-SECBINFHSA-N 1 0 245.348 0.675 10 0 BCAERO CN(C)Cc1nc2c(n1C)[C@H]([NH3+])CCC2 ZINC000725253753 538039619 /nfs/dbraw/zinc/03/96/19/538039619.db2.gz XEMJKHHWURXNKH-MRVPVSSYSA-N 1 0 208.309 0.818 10 0 BCAERO COc1ccc(C[NH2+][C@@H]2C[C@H]2CO)cn1 ZINC000309045883 349402431 /nfs/dbraw/zinc/40/24/31/349402431.db2.gz ONJJPAGEBRHFIA-VHSXEESVSA-N 1 0 208.261 0.561 10 0 BCAERO O=S1(=O)CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000082978134 538043221 /nfs/dbraw/zinc/04/32/21/538043221.db2.gz RDYNNSIXXOIBOW-SNVBAGLBSA-N 1 0 217.334 0.811 10 0 BCAERO CC(C)[C@@](C)(O)C[N@@H+]1CCC[C@H](O)C1 ZINC000167942273 349375009 /nfs/dbraw/zinc/37/50/09/349375009.db2.gz NQTXRHBFVMXIIJ-QWRGUYRKSA-N 1 0 201.310 0.850 10 0 BCAERO Cc1nc(C)n(C[C@H]2CC[C@H](C[NH3+])O2)n1 ZINC000052574426 179922915 /nfs/dbraw/zinc/92/29/15/179922915.db2.gz ITSODSOSMZUPSL-NXEZZACHSA-N 1 0 210.281 0.401 10 0 BCAERO Cc1nc(C)n([C@H](C[NH3+])c2ccncc2)n1 ZINC000043355016 179923964 /nfs/dbraw/zinc/92/39/64/179923964.db2.gz NCPTXVFEKCWATC-LLVKDONJSA-N 1 0 217.276 0.838 10 0 BCAERO C[C@@H]1CCN(c2ccc(C#N)nn2)[C@H](C[NH3+])C1 ZINC000396955534 350009614 /nfs/dbraw/zinc/00/96/14/350009614.db2.gz BNPKTIBFZCSXAB-KOLCDFICSA-N 1 0 231.303 0.912 10 0 BCAERO CN(C[C@@H]1CCCO1)C(=O)[C@@]1(C)CCC[NH2+]1 ZINC000070619119 350028329 /nfs/dbraw/zinc/02/83/29/350028329.db2.gz UHHCADSUGZXDQO-CMPLNLGQSA-N 1 0 226.320 0.766 10 0 BCAERO Cc1nc(CN2C[C@H]([NH3+])CC2=O)cs1 ZINC000049534628 179963019 /nfs/dbraw/zinc/96/30/19/179963019.db2.gz TUXHAHPEDIICAN-SSDOTTSWSA-N 1 0 211.290 0.511 10 0 BCAERO CN(C[C@H]1CC[N@H+](C)C1)c1cc(C#N)cnn1 ZINC000397009813 350042554 /nfs/dbraw/zinc/04/25/54/350042554.db2.gz XTKVTKAVDCDKJE-JTQLQIEISA-N 1 0 231.303 0.736 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)NCC[C@@H]1CCCO1 ZINC000082559610 490290374 /nfs/dbraw/zinc/29/03/74/490290374.db2.gz WWARUCCIEUTMSC-OUAUKWLOSA-N 1 0 226.320 0.527 10 0 BCAERO [NH2+]=C(NC[C@@H]1CCS(=O)(=O)C1)C1CC1 ZINC000062991134 350100514 /nfs/dbraw/zinc/10/05/14/350100514.db2.gz ZFKJEJPMSASTIU-ZETCQYMHSA-N 1 0 216.306 0.398 10 0 BCAERO CO[C@H]1C[NH2+][C@@H](C(=O)Nc2cnccc2C)C1 ZINC000071414185 350107663 /nfs/dbraw/zinc/10/76/63/350107663.db2.gz SGQUAWRWBGDGHP-NXEZZACHSA-N 1 0 235.287 0.705 10 0 BCAERO Cc1nc(N2CCCC2)[nH+]c(NN)c1C ZINC000051153728 180000876 /nfs/dbraw/zinc/00/08/76/180000876.db2.gz JHJQHZLSQBIGOH-UHFFFAOYSA-N 1 0 207.281 0.979 10 0 BCAERO CC(C)NC(=O)NC[C@H]([NH3+])[C@H]1CCOC1 ZINC000725255191 538050415 /nfs/dbraw/zinc/05/04/15/538050415.db2.gz VOLHSFJNRGRSEM-IUCAKERBSA-N 1 0 215.297 0.058 10 0 BCAERO CCNC(=O)NC[C@@H]([NH3+])C1CCOCC1 ZINC000725255258 538050747 /nfs/dbraw/zinc/05/07/47/538050747.db2.gz XPOOJDDAAXPCSA-SECBINFHSA-N 1 0 215.297 0.059 10 0 BCAERO Cc1[nH+]c(N[C@@H]2CCS(=O)(=O)C2)ccc1N ZINC000082550063 180023359 /nfs/dbraw/zinc/02/33/59/180023359.db2.gz LOGPJXNECNDSBD-MRVPVSSYSA-N 1 0 241.316 0.571 10 0 BCAERO [NH3+]C[C@](O)(CO)CCCc1ccccc1 ZINC000725255802 538052980 /nfs/dbraw/zinc/05/29/80/538052980.db2.gz MXHPWKILRBOHPQ-LBPRGKRZSA-N 1 0 209.289 0.691 10 0 BCAERO Cc1ccnn1[C@@H]1CC[C@]([NH3+])(C(N)=O)C1 ZINC000725256346 538055253 /nfs/dbraw/zinc/05/52/53/538055253.db2.gz GEFNTNAFTVKVLB-PSASIEDQSA-N 1 0 208.265 0.099 10 0 BCAERO Cc1ccnn1[C@@H]1CC[C@@]([NH3+])(C(N)=O)C1 ZINC000725256347 538055262 /nfs/dbraw/zinc/05/52/62/538055262.db2.gz GEFNTNAFTVKVLB-SCZZXKLOSA-N 1 0 208.265 0.099 10 0 BCAERO CC[C@@H](NC(=O)C[C@@H]([NH3+])C(C)C)C(=O)OC ZINC000303962251 350134809 /nfs/dbraw/zinc/13/48/09/350134809.db2.gz AITPPTZPENWYKG-RKDXNWHRSA-N 1 0 230.308 0.428 10 0 BCAERO Cc1[nH+]c2cc(N)ccc2n1[C@H](C)C(N)=O ZINC000052852878 180082393 /nfs/dbraw/zinc/08/23/93/180082393.db2.gz AYJLEFQJMSPWLU-ZCFIWIBFSA-N 1 0 218.260 0.973 10 0 BCAERO CCN1C2(CCC(C)CC2)[C@@H]([NH3+])CS1(=O)=O ZINC000725256306 538056845 /nfs/dbraw/zinc/05/68/45/538056845.db2.gz CHLPCQLFOODJRF-YVNMAJEFSA-N 1 0 246.376 0.928 10 0 BCAERO [NH3+]Cc1cc(F)c2c(c1)C[NH2+][C@H](C(=O)[O-])C2 ZINC000725255605 538053348 /nfs/dbraw/zinc/05/33/48/538053348.db2.gz GAAUOXCNPAZTON-JTQLQIEISA-N 1 0 224.235 0.383 10 0 BCAERO C[NH2+][C@@H](C(N)=O)[C@@H](C)n1ncc(Cl)c1C ZINC000725255782 538053570 /nfs/dbraw/zinc/05/35/70/538053570.db2.gz AZWCGGNXNDIPLF-HTRCEHHLSA-N 1 0 230.699 0.479 10 0 BCAERO C[NH2+][C@H](C(N)=O)[C@@H](C)n1ncc(Cl)c1C ZINC000725255788 538053672 /nfs/dbraw/zinc/05/36/72/538053672.db2.gz AZWCGGNXNDIPLF-SVRRBLITSA-N 1 0 230.699 0.479 10 0 BCAERO CCn1nnc(C[NH2+]C)c1-c1ccnn1C ZINC000725257328 538062547 /nfs/dbraw/zinc/06/25/47/538062547.db2.gz KPTAVLRTGOLYLB-UHFFFAOYSA-N 1 0 220.280 0.418 10 0 BCAERO CCC[C@]1(C)[C@H]([NH3+])CS(=O)(=O)N1CC ZINC000725256639 538058157 /nfs/dbraw/zinc/05/81/57/538058157.db2.gz ZKUPQJAMEXKVQB-RKDXNWHRSA-N 1 0 220.338 0.538 10 0 BCAERO CCC[C@]1(C)[C@@H]([NH3+])CS(=O)(=O)N1CC ZINC000725256637 538058249 /nfs/dbraw/zinc/05/82/49/538058249.db2.gz ZKUPQJAMEXKVQB-DTWKUNHWSA-N 1 0 220.338 0.538 10 0 BCAERO C[NH2+][C@H](C)C(=O)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000304523138 350162377 /nfs/dbraw/zinc/16/23/77/350162377.db2.gz FRCLEYPXMACEEP-SVRRBLITSA-N 1 0 240.225 0.120 10 0 BCAERO C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1[C@H](C)COC[C@H]1C ZINC000563156785 350174174 /nfs/dbraw/zinc/17/41/74/350174174.db2.gz LJIYREAFFFCFFD-ZNSHCXBVSA-N 1 0 226.320 0.620 10 0 BCAERO CCOC(=O)[C@@H]1CC2(CC[C@H]1[NH3+])OCCO2 ZINC000034318008 350169021 /nfs/dbraw/zinc/16/90/21/350169021.db2.gz QJZHUCODCXWUKO-RKDXNWHRSA-N 1 0 229.276 0.420 10 0 BCAERO Cc1ncc(N)cc1C(=O)NC1CC[NH+](C)CC1 ZINC000038095106 180163524 /nfs/dbraw/zinc/16/35/24/180163524.db2.gz UEPHBZMRLDFVBE-UHFFFAOYSA-N 1 0 248.330 0.796 10 0 BCAERO Cc1ncc(N)cc1C(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000038095275 180163924 /nfs/dbraw/zinc/16/39/24/180163924.db2.gz CAOADXVHCPWFER-SNVBAGLBSA-N 1 0 248.330 0.654 10 0 BCAERO Cc1ncc(SCC[NH3+])n1CCO ZINC000022005397 180172698 /nfs/dbraw/zinc/17/26/98/180172698.db2.gz IRENOKWDNDDFRI-UHFFFAOYSA-N 1 0 201.295 0.235 10 0 BCAERO Cn1nccc1-c1cc(=O)[nH]c([C@H]([NH3+])C2CC2)n1 ZINC000725257860 538069214 /nfs/dbraw/zinc/06/92/14/538069214.db2.gz ZGSDBQAYPFPYAY-LLVKDONJSA-N 1 0 245.286 0.993 10 0 BCAERO C[C@H]1C[C@H](NC(=O)[C@@H]2C[NH2+]C[C@H]2C)CO1 ZINC000402369828 350217450 /nfs/dbraw/zinc/21/74/50/350217450.db2.gz XWWAUGCRBLVGGQ-XFWSIPNHSA-N 1 0 212.293 0.136 10 0 BCAERO Cc1nccc(C[NH2+][C@H]2CN3CCC2CC3)n1 ZINC000038037568 180192721 /nfs/dbraw/zinc/19/27/21/180192721.db2.gz XMYPYUIFKYCNPI-ZDUSSCGKSA-N 1 0 232.331 0.969 10 0 BCAERO Cc1nccc(C[NH2+][C@H]2CCCN(C)C2)n1 ZINC000054790819 180192966 /nfs/dbraw/zinc/19/29/66/180192966.db2.gz DHXJUIUPPXXSJC-LBPRGKRZSA-N 1 0 220.320 0.969 10 0 BCAERO Cc1nccc(CNC(=O)[C@@H]2CC[C@@H]([NH3+])C2)n1 ZINC000091539514 180187528 /nfs/dbraw/zinc/18/75/28/180187528.db2.gz RPRNTHUILQCKQA-NXEZZACHSA-N 1 0 234.303 0.529 10 0 BCAERO Cc1nccc(C[NH2+]C2(CO)CCC2)n1 ZINC000129425574 180187710 /nfs/dbraw/zinc/18/77/10/180187710.db2.gz QHXREAJGLRLZAB-UHFFFAOYSA-N 1 0 207.277 0.790 10 0 BCAERO Cc1nccc(CNC(=O)[C@H]2CCC[C@H]([NH3+])C2)n1 ZINC000070576851 180188038 /nfs/dbraw/zinc/18/80/38/180188038.db2.gz DXTDLIFYJJLDAZ-QWRGUYRKSA-N 1 0 248.330 0.919 10 0 BCAERO Cc1nccc(C[NH2+]C2CCN(C(N)=O)CC2)n1 ZINC000038037764 180188042 /nfs/dbraw/zinc/18/80/42/180188042.db2.gz PPFPDLSTMHSUES-UHFFFAOYSA-N 1 0 249.318 0.418 10 0 BCAERO Cc1nccc(C[NH2+]CCN2CCOCC2)n1 ZINC000038038075 180189280 /nfs/dbraw/zinc/18/92/80/180189280.db2.gz JAAGAZRKIBKVQD-UHFFFAOYSA-N 1 0 236.319 0.207 10 0 BCAERO Cc1ncccc1C[N@@H+]1C[C@@H](O)C[C@@H]1CO ZINC000359971660 180220123 /nfs/dbraw/zinc/22/01/23/180220123.db2.gz CQDSWNGCPKFVNL-NEPJUHHUSA-N 1 0 222.288 0.318 10 0 BCAERO CC(C)[S@@](N)(=O)=Nc1ccnn1C1C[NH2+]C1 ZINC000725258317 538072533 /nfs/dbraw/zinc/07/25/33/538072533.db2.gz OFSAILITACJFQC-INIZCTEOSA-N 1 0 243.336 0.409 10 0 BCAERO [NH3+]C[C@H]1CCCN1C(=O)CC[C@@H]1CCCO1 ZINC000083525660 350236539 /nfs/dbraw/zinc/23/65/39/350236539.db2.gz VOFBFPCPHRSDLK-MNOVXSKESA-N 1 0 226.320 0.895 10 0 BCAERO COCC(=O)Nc1ccn([C@H]2CC[NH2+]C2)n1 ZINC000309086264 323315185 /nfs/dbraw/zinc/31/51/85/323315185.db2.gz IIWVSTSMXHDRST-QMMMGPOBSA-N 1 0 224.264 0.002 10 0 BCAERO N[C@@H](CNc1ccnn1C1C[NH2+]C1)C(F)(F)F ZINC000725259754 538080778 /nfs/dbraw/zinc/08/07/78/538080778.db2.gz IDAPQSZMEUANRF-ZETCQYMHSA-N 1 0 249.240 0.329 10 0 BCAERO Cc1nccn1CC[NH2+][C@H]1CN2CCC1CC2 ZINC000049329978 180262513 /nfs/dbraw/zinc/26/25/13/180262513.db2.gz JFWMBYLPCMBAAQ-ZDUSSCGKSA-N 1 0 234.347 0.875 10 0 BCAERO Cc1nccnc1S(=O)(=O)C[C@@H]1CC[NH2+]C1 ZINC000095068751 180280149 /nfs/dbraw/zinc/28/01/49/180280149.db2.gz SBCFOSGHZSEBAA-SECBINFHSA-N 1 0 241.316 0.168 10 0 BCAERO Cc1nccnc1[S@](=O)C[C@@H]1CCC[NH2+]C1 ZINC000095068796 180283713 /nfs/dbraw/zinc/28/37/13/180283713.db2.gz UFMDNADIPVDCIE-HWPZZCPQSA-N 1 0 239.344 0.892 10 0 BCAERO Cc1nccnc1[S@](=O)C1CC[NH2+]CC1 ZINC000095068786 180284008 /nfs/dbraw/zinc/28/40/08/180284008.db2.gz ZDKPURQHRARZSB-HNNXBMFYSA-N 1 0 225.317 0.645 10 0 BCAERO c1nnc(C[NH2+]C2CCC3(CC2)OCCO3)[nH]1 ZINC000037919275 350290758 /nfs/dbraw/zinc/29/07/58/350290758.db2.gz MOVCSPMQQPFDSG-UHFFFAOYSA-N 1 0 238.291 0.580 10 0 BCAERO Cc1ncn(CCN2CC[NH2+]CC2)c1C ZINC000051927080 180287061 /nfs/dbraw/zinc/28/70/61/180287061.db2.gz SKLDEPWKKUEJMZ-UHFFFAOYSA-N 1 0 208.309 0.405 10 0 BCAERO CCn1nccc1C[NH2+][C@H]1CCCNC1=O ZINC000162689921 350339385 /nfs/dbraw/zinc/33/93/85/350339385.db2.gz JCRBDQQYGUEOCO-JTQLQIEISA-N 1 0 222.292 0.271 10 0 BCAERO Cc1ncoc1C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000095574591 180297316 /nfs/dbraw/zinc/29/73/16/180297316.db2.gz ILRKKMGSYJDPCB-DTORHVGOSA-N 1 0 221.260 0.274 10 0 BCAERO CCc1nc(CNC(=O)[C@@H](C)[NH2+]C)cs1 ZINC000328211113 350393189 /nfs/dbraw/zinc/39/31/89/350393189.db2.gz IPHKOJADVGWRTM-SSDOTTSWSA-N 1 0 227.333 0.930 10 0 BCAERO Cc1nn(C)c(C)c1[C@@H](C)N(C)CC[NH3+] ZINC000054417231 180346202 /nfs/dbraw/zinc/34/62/02/180346202.db2.gz FWYMODBNNWOQDL-SECBINFHSA-N 1 0 210.325 0.988 10 0 BCAERO Cc1nn(C)c(C)c1[C@@H]([NH2+]C(C)C)C(N)=O ZINC000037943563 180346488 /nfs/dbraw/zinc/34/64/88/180346488.db2.gz VLOJCCVUDHWGSI-SNVBAGLBSA-N 1 0 224.308 0.561 10 0 BCAERO Cc1nn(C)c(N(C)C[C@H](C)O)c1C[NH3+] ZINC000051839145 180352292 /nfs/dbraw/zinc/35/22/92/180352292.db2.gz ANMNMUMZKKZOBH-ZETCQYMHSA-N 1 0 212.297 0.004 10 0 BCAERO Cc1nn(C)c(N[C@@H]2CCC[N@H+](C)C2)c1N ZINC000040715802 180360435 /nfs/dbraw/zinc/36/04/35/180360435.db2.gz SQOQKYFCJCEINY-SECBINFHSA-N 1 0 223.324 0.817 10 0 BCAERO Cc1nn(C)c(N2CCC[N@H+](C)CC2)c1N ZINC000036748989 180355386 /nfs/dbraw/zinc/35/53/86/180355386.db2.gz XXGYQRPOZCGHRQ-UHFFFAOYSA-N 1 0 223.324 0.453 10 0 BCAERO Cc1nn(C)c(N2CC[NH+](C(C)C)CC2)c1N ZINC000036170610 180356255 /nfs/dbraw/zinc/35/62/55/180356255.db2.gz FCIIKMCGAINPAV-UHFFFAOYSA-N 1 0 237.351 0.841 10 0 BCAERO Cc1nn(C)c(N2CC[C@H]([NH+](C)C)C2)c1CO ZINC000062966364 180356517 /nfs/dbraw/zinc/35/65/17/180356517.db2.gz XQSXGZFFTAKYAQ-JTQLQIEISA-N 1 0 238.335 0.361 10 0 BCAERO Cc1nn(C)c(C)c1C[NH2+][C@@H](C)C(N)=O ZINC000035148883 180340673 /nfs/dbraw/zinc/34/06/73/180340673.db2.gz DISFRJSXCQYECF-ZETCQYMHSA-N 1 0 210.281 0.000 10 0 BCAERO CC(C)CNC(=O)N1CC2(C1)C[NH2+]CC2(F)F ZINC000725264890 538092859 /nfs/dbraw/zinc/09/28/59/538092859.db2.gz RBBSOMKKGKFGMR-UHFFFAOYSA-N 1 0 247.289 0.893 10 0 BCAERO C[NH+](C)[C@H]1CCN(c2ncc(N)s2)C1 ZINC000226742360 350450954 /nfs/dbraw/zinc/45/09/54/350450954.db2.gz QSVUYHNIKLTTAI-ZETCQYMHSA-N 1 0 212.322 0.866 10 0 BCAERO C[N@@H+]1CCc2nnc(N3CCC(O)CC3)cc2C1 ZINC000725264934 538093010 /nfs/dbraw/zinc/09/30/10/538093010.db2.gz XWFGAFPSOXIJBO-UHFFFAOYSA-N 1 0 248.330 0.426 10 0 BCAERO CCOC(=O)[C@@]1(N)CC[N@H+](C)[C@@H](C)C1 ZINC000226839969 350459105 /nfs/dbraw/zinc/45/91/05/350459105.db2.gz KXLOAVAULLJHJJ-WCBMZHEXSA-N 1 0 200.282 0.361 10 0 BCAERO CN1CCN([C@@H]2CCSC2)[C@@H](C[NH3+])C1 ZINC000226615821 350442350 /nfs/dbraw/zinc/44/23/50/350442350.db2.gz KSVJACVTLVVPOD-ZJUUUORDSA-N 1 0 215.366 0.067 10 0 BCAERO CCn1ccnc1-c1cnnn1[C@@H]1CC[NH2+]C1 ZINC000725265991 538093663 /nfs/dbraw/zinc/09/36/63/538093663.db2.gz DKWZTGJZNAAQOK-SECBINFHSA-N 1 0 232.291 0.696 10 0 BCAERO CCn1ncnc1-c1cnnn1[C@H]1CCC[NH2+]C1 ZINC000725266113 538093712 /nfs/dbraw/zinc/09/37/12/538093712.db2.gz NSKXINCVJXKMTH-VIFPVBQESA-N 1 0 247.306 0.481 10 0 BCAERO CC[C@H](COC)NC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000163223608 350509353 /nfs/dbraw/zinc/50/93/53/350509353.db2.gz UGUSUJUFLNANGB-GHMZBOCLSA-N 1 0 243.351 0.757 10 0 BCAERO OCC[C@H]1CC[N@H+](CCCn2ccnc2)C1 ZINC000163186008 350512960 /nfs/dbraw/zinc/51/29/60/350512960.db2.gz DPMSGMDMODZWKV-GFCCVEGCSA-N 1 0 223.320 0.978 10 0 BCAERO Cc1nnc(-n2ccnc2)c(C[NH3+])c1C ZINC000040290479 180396288 /nfs/dbraw/zinc/39/62/88/180396288.db2.gz DEANZLDNMLFOEY-UHFFFAOYSA-N 1 0 203.249 0.738 10 0 BCAERO CCCCOC[C@@H](O)C[NH2+][C@@H](C)C(=O)N(C)C ZINC000227890208 350517597 /nfs/dbraw/zinc/51/75/97/350517597.db2.gz VTICUNGFQOPGLC-QWRGUYRKSA-N 1 0 246.351 0.230 10 0 BCAERO NC(=S)C[N@@H+]1CCN2CCCC[C@@H]2C1 ZINC000227374506 350494826 /nfs/dbraw/zinc/49/48/26/350494826.db2.gz BZDJBKMUUUYNBP-SECBINFHSA-N 1 0 213.350 0.443 10 0 BCAERO Cn1cncc1-c1cnnn1[C@@H]1CCC[NH2+]CC1 ZINC000725266161 538094269 /nfs/dbraw/zinc/09/42/69/538094269.db2.gz RGCCILGNIDCPCE-SNVBAGLBSA-N 1 0 246.318 0.993 10 0 BCAERO Cc1nn(CC[C@H]([NH3+])C(N)=O)c(C)c1Cl ZINC000062538087 180388709 /nfs/dbraw/zinc/38/87/09/180388709.db2.gz LQDXRYXXVRZCHH-ZETCQYMHSA-N 1 0 230.699 0.356 10 0 BCAERO CC(C)(O)C[NH+]1CCN(CC(F)F)CC1 ZINC000070558113 350536168 /nfs/dbraw/zinc/53/61/68/350536168.db2.gz HXEKMIQSKYNHCB-UHFFFAOYSA-N 1 0 222.279 0.640 10 0 BCAERO CCOC(=O)c1n[nH]nc1[C@@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC000725266496 538095629 /nfs/dbraw/zinc/09/56/29/538095629.db2.gz DOJXCOZATJDUQT-GJMOJQLCSA-N 1 0 236.275 0.304 10 0 BCAERO Cc1nnc2sc(CC[NH2+]C3CC3)nn12 ZINC000098124815 180451029 /nfs/dbraw/zinc/45/10/29/180451029.db2.gz YIZGKECGBNJSLU-UHFFFAOYSA-N 1 0 223.305 0.789 10 0 BCAERO CCS(=O)(=O)N1CCCCC[C@@H]1C[NH3+] ZINC000125064089 538098021 /nfs/dbraw/zinc/09/80/21/538098021.db2.gz HHSUDAHFTAKUIM-SECBINFHSA-N 1 0 220.338 0.539 10 0 BCAERO Cc1noc(C)c1CC(=O)NC1CC([NH3+])C1 ZINC000036256456 180465248 /nfs/dbraw/zinc/46/52/48/180465248.db2.gz PJLNUUONVDGJKN-UHFFFAOYSA-N 1 0 223.276 0.440 10 0 BCAERO CC(C)(C)[N@@H+]1CCO[C@@H](C(N)=O)CC1 ZINC000616596226 350632383 /nfs/dbraw/zinc/63/23/83/350632383.db2.gz SDOIVDZMXGIBEL-MRVPVSSYSA-N 1 0 200.282 0.361 10 0 BCAERO OCC[N@@H+]1CCO[C@@H](c2ncc[nH]2)CC1 ZINC000616596268 350632438 /nfs/dbraw/zinc/63/24/38/350632438.db2.gz UZWYKMKXGZIZQJ-SECBINFHSA-N 1 0 211.265 0.165 10 0 BCAERO [NH3+]CCN1CCO[C@@H](c2ccon2)CC1 ZINC000616596252 350632584 /nfs/dbraw/zinc/63/25/84/350632584.db2.gz UIMGMXCYRRQACM-SNVBAGLBSA-N 1 0 211.265 0.397 10 0 BCAERO [NH3+]CCN1CCCOC[C@@H]1c1ccnnc1 ZINC000616596778 350637196 /nfs/dbraw/zinc/63/71/96/350637196.db2.gz HAMYCYLDYRQJBP-LLVKDONJSA-N 1 0 222.292 0.199 10 0 BCAERO [NH3+]CCN1CCCOC[C@@H]1c1cncnc1 ZINC000616597839 350653644 /nfs/dbraw/zinc/65/36/44/350653644.db2.gz SYZZWVQJSCYPJA-LLVKDONJSA-N 1 0 222.292 0.199 10 0 BCAERO Nc1ccc([C@@H]2CCOCCN2CC[NH3+])cc1 ZINC000616598694 350685469 /nfs/dbraw/zinc/68/54/69/350685469.db2.gz UCTMBTLDSJSCFE-ZDUSSCGKSA-N 1 0 235.331 0.991 10 0 BCAERO [NH3+]CCN1CCCO[C@@H](Nc2ccccn2)C1 ZINC000616598692 350685510 /nfs/dbraw/zinc/68/55/10/350685510.db2.gz POCAHQOKHGZLRS-GFCCVEGCSA-N 1 0 236.319 0.501 10 0 BCAERO Cc1noc(CNC(=O)C[C@H]2CCC[NH2+]C2)n1 ZINC000054308301 180488290 /nfs/dbraw/zinc/48/82/90/180488290.db2.gz SUPPLPDLMAALBL-SECBINFHSA-N 1 0 238.291 0.384 10 0 BCAERO [NH3+]CCN1CCCO[C@@H](c2cnoc2)C1 ZINC000616599453 350749730 /nfs/dbraw/zinc/74/97/30/350749730.db2.gz VKHDYDRRKIKLBK-SNVBAGLBSA-N 1 0 211.265 0.397 10 0 BCAERO [NH3+]CCN1CCOCC[C@@H]1c1cccnn1 ZINC000616599778 350758400 /nfs/dbraw/zinc/75/84/00/350758400.db2.gz WLWOZOVKSYLVEG-LLVKDONJSA-N 1 0 222.292 0.199 10 0 BCAERO O=C1CC[NH2+]CCN1Cc1cccnc1 ZINC000106884596 350818647 /nfs/dbraw/zinc/81/86/47/350818647.db2.gz URAHUEFGNDGDEK-UHFFFAOYSA-N 1 0 205.261 0.404 10 0 BCAERO C[C@@H]1C[S@](=O)CCN1CC[NH+](C)C ZINC000306673342 350818967 /nfs/dbraw/zinc/81/89/67/350818967.db2.gz NHHDSFMMPGJAMR-NOZJJQNGSA-N 1 0 204.339 0.001 10 0 BCAERO Nc1ncccc1[C@H]1CCOCCN1CC[NH3+] ZINC000616599962 350777752 /nfs/dbraw/zinc/77/77/52/350777752.db2.gz ZXOQNWWENWSSHW-LLVKDONJSA-N 1 0 236.319 0.386 10 0 BCAERO CN1CC[NH2+][C@H](c2ccccc2CCO)C1 ZINC000616600840 350780703 /nfs/dbraw/zinc/78/07/03/350780703.db2.gz CFBXTQRYKXODLU-ZDUSSCGKSA-N 1 0 220.316 0.798 10 0 BCAERO [NH3+]CCN1CCC[C@@H](c2cn[nH]n2)CC1 ZINC000616601319 350782230 /nfs/dbraw/zinc/78/22/30/350782230.db2.gz NZTDIZBXZKXHDD-SECBINFHSA-N 1 0 209.297 0.333 10 0 BCAERO CC(C)(C)OC(=O)N1CCC[C@@H](O)[C@H]([NH3+])C1 ZINC000038764097 350787565 /nfs/dbraw/zinc/78/75/65/350787565.db2.gz LWINOKVVXXXYPN-RKDXNWHRSA-N 1 0 230.308 0.706 10 0 BCAERO [NH3+]CCN1CCOC[C@@H]1c1ccccc1CO ZINC000616602927 350789342 /nfs/dbraw/zinc/78/93/42/350789342.db2.gz WKNFZWHKZTZCPT-CYBMUJFWSA-N 1 0 236.315 0.511 10 0 BCAERO CS(=O)(=O)[C@H]1CCCCCN1CC[NH3+] ZINC000616605747 350794927 /nfs/dbraw/zinc/79/49/27/350794927.db2.gz QDEPOVJWDIKJGL-VIFPVBQESA-N 1 0 220.338 0.192 10 0 BCAERO CSCc1nc([C@@H]2C[NH2+]CCO2)no1 ZINC000159519781 350836879 /nfs/dbraw/zinc/83/68/79/350836879.db2.gz FKRPTRFPURDYDS-LURJTMIESA-N 1 0 215.278 0.594 10 0 BCAERO NC(=O)c1ccccc1[C@@H]1CC[N@H+](CCO)C1 ZINC000616614883 350841181 /nfs/dbraw/zinc/84/11/81/350841181.db2.gz ZINCXZHWILYXMC-SNVBAGLBSA-N 1 0 234.299 0.567 10 0 BCAERO CN1CC[C@@H]([NH2+]CC2(C)OCCO2)C1 ZINC000306699454 350848740 /nfs/dbraw/zinc/84/87/40/350848740.db2.gz DLFCQDUYEAXJPP-SECBINFHSA-N 1 0 200.282 0.043 10 0 BCAERO CC1(C)C[C@@H]([NH3+])CCN(S(C)(=O)=O)C1 ZINC000306701793 350851150 /nfs/dbraw/zinc/85/11/50/350851150.db2.gz LICUJGGQWUCYEM-QMMMGPOBSA-N 1 0 220.338 0.395 10 0 BCAERO [NH3+][C@H]1CN(Cc2ccc(Br)o2)C1=O ZINC000306676068 350827833 /nfs/dbraw/zinc/82/78/33/350827833.db2.gz VEZKMYYUSMYBEW-LURJTMIESA-N 1 0 245.076 0.712 10 0 BCAERO [NH3+]C[C@]1([C@H]2COC[C@H]2O)CCCS1 ZINC000306676305 350828411 /nfs/dbraw/zinc/82/84/11/350828411.db2.gz VURAKTHDSVDAPY-YIZRAAEISA-N 1 0 203.307 0.218 10 0 BCAERO Cc1nnsc1CN1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000306728354 350899184 /nfs/dbraw/zinc/89/91/84/350899184.db2.gz NOEZWKVBTIHAFC-SVRRBLITSA-N 1 0 212.322 0.626 10 0 BCAERO CS(=O)(=O)CCC1([NH3+])CCC(O)CC1 ZINC000306730546 350900273 /nfs/dbraw/zinc/90/02/73/350900273.db2.gz POCLPYDWTNFZHY-UHFFFAOYSA-N 1 0 221.322 0.054 10 0 BCAERO CNC(=O)[C@H](C)O[C@@H]1CCCC[C@H]1[NH3+] ZINC000252849527 350916435 /nfs/dbraw/zinc/91/64/35/350916435.db2.gz DXMBDZYTJSOCCP-DJLDLDEBSA-N 1 0 200.282 0.407 10 0 BCAERO OCC[NH+]1CCC(c2cccnn2)CC1 ZINC000616619106 350926518 /nfs/dbraw/zinc/92/65/18/350926518.db2.gz CWNMMZHHPCMDRZ-UHFFFAOYSA-N 1 0 207.277 0.648 10 0 BCAERO Nc1ncccc1C1CCN(CC[NH3+])CC1 ZINC000616619127 350926934 /nfs/dbraw/zinc/92/69/34/350926934.db2.gz FGJGMJDVCYBCQR-UHFFFAOYSA-N 1 0 220.320 0.802 10 0 BCAERO C[NH2+][C@@H](C)C(=O)N[C@]1(C)CCO[C@H]1C ZINC000306741455 350930576 /nfs/dbraw/zinc/93/05/76/350930576.db2.gz DOQRVFYEFWNJJE-OYNCUSHFSA-N 1 0 200.282 0.278 10 0 BCAERO C[C@@H]([C@@H]([NH3+])c1cccnc1)S(C)(=O)=O ZINC000228651173 350935728 /nfs/dbraw/zinc/93/57/28/350935728.db2.gz ZFVVROHEEVVPNN-IONNQARKSA-N 1 0 214.290 0.515 10 0 BCAERO CN(CC[N@H+](C)CCO)Cc1nccs1 ZINC000623091289 350872702 /nfs/dbraw/zinc/87/27/02/350872702.db2.gz XAMQAQRRLGVQEE-UHFFFAOYSA-N 1 0 229.349 0.499 10 0 BCAERO C[C@@H]([NH3+])CNC(=O)[C@@H]1CCCC1(F)F ZINC000306713963 350873973 /nfs/dbraw/zinc/87/39/73/350873973.db2.gz WAUCTHCUPBZMAR-RQJHMYQMSA-N 1 0 206.236 0.885 10 0 BCAERO NC(=O)c1ccccc1[C@H]1CCC[N@H+](CCO)C1 ZINC000616617951 350879677 /nfs/dbraw/zinc/87/96/77/350879677.db2.gz NQAFOBZQCLJVJC-NSHDSACASA-N 1 0 248.326 0.957 10 0 BCAERO CN1CC[C@@H]([NH2+]C[C@H]2CCOCO2)C1 ZINC000250617935 350882963 /nfs/dbraw/zinc/88/29/63/350882963.db2.gz OLDVJIAQOKEQMJ-NXEZZACHSA-N 1 0 200.282 0.043 10 0 BCAERO O=C(C(F)F)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000306724167 350892960 /nfs/dbraw/zinc/89/29/60/350892960.db2.gz IGGWWLNRDZTRBF-RNFRBKRXSA-N 1 0 204.220 0.462 10 0 BCAERO C[C@H]1CSCCN1C(=O)[C@@H]1CC[NH2+]1 ZINC000306726222 350895480 /nfs/dbraw/zinc/89/54/80/350895480.db2.gz YVGHZFIKKTZJFG-YUMQZZPRSA-N 1 0 200.307 0.312 10 0 BCAERO COC(=O)[C@@H](C)NC(=O)C[C@@H]([NH3+])C(C)C ZINC000129007143 350959886 /nfs/dbraw/zinc/95/98/86/350959886.db2.gz LQXLTBHPDNDNIK-HTQZYQBOSA-N 1 0 216.281 0.038 10 0 BCAERO [NH3+][C@@H]1C[C@@H]1NC(=O)[C@@H]1CC1(Cl)Cl ZINC000306757811 350970403 /nfs/dbraw/zinc/97/04/03/350970403.db2.gz NWQUVDIGWADHOX-LMVFSUKVSA-N 1 0 209.076 0.396 10 0 BCAERO OC[C@@]12C[NH2+]C[C@@H]1CN(Cc1ccccc1)C2 ZINC000306761910 350987789 /nfs/dbraw/zinc/98/77/89/350987789.db2.gz GHZDSTSBLWNSOD-KGLIPLIRSA-N 1 0 232.327 0.700 10 0 BCAERO Cc1csc([C@H]2OC[C@@H](C[NH3+])O2)n1 ZINC000159732906 350989265 /nfs/dbraw/zinc/98/92/65/350989265.db2.gz JOOHFWINUKNFPM-SVRRBLITSA-N 1 0 200.263 0.824 10 0 BCAERO [NH3+]CCN1CCC[C@H](c2cncnc2)C1 ZINC000616620844 350945146 /nfs/dbraw/zinc/94/51/46/350945146.db2.gz MNVWWSCPNNCTKP-JTQLQIEISA-N 1 0 206.293 0.615 10 0 BCAERO CC[NH2+]CCCNc1nccn2c(C)nnc12 ZINC000079470959 350946047 /nfs/dbraw/zinc/94/60/47/350946047.db2.gz MNAGBUQCCKKVKM-UHFFFAOYSA-N 1 0 234.307 0.844 10 0 BCAERO CC[S@](=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000306775511 351016695 /nfs/dbraw/zinc/01/66/95/351016695.db2.gz WXZLWNMARMJKIJ-KKFJDGPESA-N 1 0 202.323 0.354 10 0 BCAERO CC[C@H](O)CN1CC[S@](=O)C[C@H]1C ZINC000306779664 351019995 /nfs/dbraw/zinc/01/99/95/351019995.db2.gz YGVOHEWLQRUMDT-ZDMBXUJBSA-N 1 0 205.323 0.210 10 0 BCAERO C[C@@H](CNc1cc[nH+]c(N)n1)[S@@](C)=O ZINC000228677845 351024322 /nfs/dbraw/zinc/02/43/22/351024322.db2.gz NKNCVUPGGAWIKL-DXRPGJJCSA-N 1 0 214.294 0.238 10 0 BCAERO CC(C)[C@H](O)CN1CC[NH2+]C(C)(C)C1 ZINC000306787752 351034274 /nfs/dbraw/zinc/03/42/74/351034274.db2.gz QVRIAKQCTQOJHG-SNVBAGLBSA-N 1 0 200.326 0.687 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H](CN=S(C)(C)=O)C1 ZINC000306783973 351034827 /nfs/dbraw/zinc/03/48/27/351034827.db2.gz RPUSCSLAADNZIG-DTWKUNHWSA-N 1 0 204.339 0.960 10 0 BCAERO [NH3+]C1(C(=O)N2CCC=C(Br)C2)CC1 ZINC000404162379 351039278 /nfs/dbraw/zinc/03/92/78/351039278.db2.gz YWIVVULKVVBUQD-UHFFFAOYSA-N 1 0 245.120 0.989 10 0 BCAERO Cc1nnsc1CN1CC[C@@H]([NH3+])[C@H]1C ZINC000306789481 351039405 /nfs/dbraw/zinc/03/94/05/351039405.db2.gz TWVFVGMCPZEEKY-HTQZYQBOSA-N 1 0 212.322 0.768 10 0 BCAERO O=C([C@@H]1CC[NH2+]1)N1CCC=C(Cl)C1 ZINC000404178514 351055376 /nfs/dbraw/zinc/05/53/76/351055376.db2.gz IQUPOCDMBGZPIJ-QMMMGPOBSA-N 1 0 200.669 0.703 10 0 BCAERO [NH3+]CCn1cc(NC(=O)C(F)(F)F)cn1 ZINC000306806342 351055964 /nfs/dbraw/zinc/05/59/64/351055964.db2.gz JKMVPDPZRODSQZ-UHFFFAOYSA-N 1 0 222.170 0.343 10 0 BCAERO CCC[S@](=O)N1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000306808726 351060702 /nfs/dbraw/zinc/06/07/02/351060702.db2.gz PXTZSFIKWSXJDW-RVBZMBCESA-N 1 0 204.339 0.742 10 0 BCAERO [NH3+]CCN1CC[C@@H](c2ccc(CO)cc2)C1 ZINC000616626659 351105867 /nfs/dbraw/zinc/10/58/67/351105867.db2.gz UQVNFUBYNRKTLC-CYBMUJFWSA-N 1 0 220.316 0.927 10 0 BCAERO Nc1cccc([C@H]2CN(CCO)CC[NH2+]2)c1 ZINC000616632343 351111097 /nfs/dbraw/zinc/11/10/97/351111097.db2.gz NKUZARPKZJEHKV-GFCCVEGCSA-N 1 0 221.304 0.207 10 0 BCAERO CC(C)(C)[N@@H+]1CCN[C@H](c2nnc[nH]2)C1 ZINC000616633604 351114979 /nfs/dbraw/zinc/11/49/79/351114979.db2.gz CSMRVJKHQALLLM-QMMMGPOBSA-N 1 0 209.297 0.550 10 0 BCAERO OCCN1CC[NH2+][C@H](c2ccc(F)cc2)C1 ZINC000616633499 351115279 /nfs/dbraw/zinc/11/52/79/351115279.db2.gz BNJRORDLZACHPB-LBPRGKRZSA-N 1 0 224.279 0.764 10 0 BCAERO CC(C)[C@H]([NH3+])C(=O)N1CCOC[C@@H]1C ZINC000035776605 358459576 /nfs/dbraw/zinc/45/95/76/358459576.db2.gz ZXIMBIIQEZNTSF-IUCAKERBSA-N 1 0 200.282 0.217 10 0 BCAERO CCCNC(=O)CCNC(=O)[C@@]1(C)CCC[NH2+]1 ZINC000079520717 351071271 /nfs/dbraw/zinc/07/12/71/351071271.db2.gz LTACSEOLPBKBFT-GFCCVEGCSA-N 1 0 241.335 0.161 10 0 BCAERO C[C@H]1C[NH+]=C(S[C@H]2CCOC2=O)N1 ZINC000306820479 351087311 /nfs/dbraw/zinc/08/73/11/351087311.db2.gz DQQNXORAWVRHGB-WDSKDSINSA-N 1 0 200.263 0.383 10 0 BCAERO C[C@H]1C[NH+]=C(S[C@@H]2CCOC2=O)N1 ZINC000306820476 351087648 /nfs/dbraw/zinc/08/76/48/351087648.db2.gz DQQNXORAWVRHGB-NTSWFWBYSA-N 1 0 200.263 0.383 10 0 BCAERO C[C@@H]1C[NH+]=C(S[C@H]2CCOC2=O)N1 ZINC000306820478 351087710 /nfs/dbraw/zinc/08/77/10/351087710.db2.gz DQQNXORAWVRHGB-RITPCOANSA-N 1 0 200.263 0.383 10 0 BCAERO [NH3+]CCN1CCCCC[C@@H]1c1cn[nH]n1 ZINC000616624469 351091675 /nfs/dbraw/zinc/09/16/75/351091675.db2.gz OGTMANDUZQLLQF-SNVBAGLBSA-N 1 0 209.297 0.681 10 0 BCAERO CC(C)(C)[S@@](=O)[C@H]1C[NH2+]CC[C@]1(C)O ZINC000306820355 351094494 /nfs/dbraw/zinc/09/44/94/351094494.db2.gz IXQUYSIUSRNQSI-BXGCZWRVSA-N 1 0 219.350 0.647 10 0 BCAERO [NH3+]CCN1CCC[C@H](n2cccn2)CC1 ZINC000616627535 351095490 /nfs/dbraw/zinc/09/54/90/351095490.db2.gz GRMYERFLFJOWFU-NSHDSACASA-N 1 0 208.309 0.869 10 0 BCAERO CN1CCOC[C@@H]1c1ccc(C(N)=O)cc1 ZINC000616636309 351125341 /nfs/dbraw/zinc/12/53/41/351125341.db2.gz DADOBHMAHSLHDE-LLVKDONJSA-N 1 0 220.272 0.789 10 0 BCAERO [NH3+]CCN1CCC[C@H](n2ccnc2)CC1 ZINC000616627767 351096603 /nfs/dbraw/zinc/09/66/03/351096603.db2.gz LDRJZCKSXHAIOU-NSHDSACASA-N 1 0 208.309 0.869 10 0 BCAERO [NH3+]CCN1CCCC[C@H](n2ccnc2)C1 ZINC000616628799 351099672 /nfs/dbraw/zinc/09/96/72/351099672.db2.gz RGPMJCPYNHHPFR-NSHDSACASA-N 1 0 208.309 0.869 10 0 BCAERO [NH3+]CCN1CCC[C@@H](c2conn2)CC1 ZINC000616629286 351100193 /nfs/dbraw/zinc/10/01/93/351100193.db2.gz UZZHERNUDKXIOL-SECBINFHSA-N 1 0 210.281 0.598 10 0 BCAERO [NH3+]CCN1CCOC[C@H]1c1ccc(CO)cc1 ZINC000616641017 351146872 /nfs/dbraw/zinc/14/68/72/351146872.db2.gz SEVXQIMJBCIYKD-ZDUSSCGKSA-N 1 0 236.315 0.511 10 0 BCAERO [NH3+]CCN1CCOC[C@H]1c1cccc(CO)c1 ZINC000616641003 351147375 /nfs/dbraw/zinc/14/73/75/351147375.db2.gz RPWRWZQAQRCIMX-ZDUSSCGKSA-N 1 0 236.315 0.511 10 0 BCAERO Nc1ncccc1[C@H]1CN(CC[NH3+])CCCO1 ZINC000616655409 351192745 /nfs/dbraw/zinc/19/27/45/351192745.db2.gz YPZWJZDMJHANBH-LLVKDONJSA-N 1 0 236.319 0.386 10 0 BCAERO OCCc1ccccc1[C@H]1C[NH2+]CCO1 ZINC000616645073 351166755 /nfs/dbraw/zinc/16/67/55/351166755.db2.gz XATVXJWERSOJEX-GFCCVEGCSA-N 1 0 207.273 0.882 10 0 BCAERO [NH3+]CCN1CCCOC[C@H]1OC(F)(F)F ZINC000616646121 351170396 /nfs/dbraw/zinc/17/03/96/351170396.db2.gz TYIOWTFROXIXRA-SSDOTTSWSA-N 1 0 228.214 0.530 10 0 BCAERO [NH3+]CCN1CCCOC[C@H]1c1ccccn1 ZINC000616646640 351171588 /nfs/dbraw/zinc/17/15/88/351171588.db2.gz ZHPZNORQWLCUEN-LBPRGKRZSA-N 1 0 221.304 0.804 10 0 BCAERO CC(=O)N[C@@H]1C[N@H+](C(C)C)CCCO1 ZINC000616650080 351173116 /nfs/dbraw/zinc/17/31/16/351173116.db2.gz SKWWTKDGTBGKRU-JTQLQIEISA-N 1 0 200.282 0.579 10 0 BCAERO NC(=O)N1CCCOC[C@H]1c1c[nH]cn1 ZINC000616647809 351174900 /nfs/dbraw/zinc/17/49/00/351174900.db2.gz GSORLKPRQYBXAV-QMMMGPOBSA-N 1 0 210.237 0.252 10 0 BCAERO NC(=O)c1ccc([C@H]2C[NH2+]CCCO2)cc1 ZINC000616651119 351181617 /nfs/dbraw/zinc/18/16/17/351181617.db2.gz JRATUMQIYZVWMK-LLVKDONJSA-N 1 0 220.272 0.837 10 0 BCAERO O=S(=O)(c1ccccc1)[C@H]1C[NH2+]CCCO1 ZINC000616651376 351181633 /nfs/dbraw/zinc/18/16/33/351181633.db2.gz MXEPEDZHYDWARI-NSHDSACASA-N 1 0 241.312 0.796 10 0 BCAERO CNC1=N[C@@H]([C@H]2CCCSC2)C(=O)N1 ZINC000306821282 351127420 /nfs/dbraw/zinc/12/74/20/351127420.db2.gz KJGRSPYXLAEVFV-BQBZGAKWSA-N 1 0 213.306 0.203 10 0 BCAERO CCN1CC[NH2+]C[C@@H]1c1ccccc1C(N)=O ZINC000616636744 351128064 /nfs/dbraw/zinc/12/80/64/351128064.db2.gz BSCXBTRIJDXDPB-GFCCVEGCSA-N 1 0 233.315 0.752 10 0 BCAERO CC(C)(C)[N@@H+]1CCCC[C@@H](S(N)(=O)=O)C1 ZINC000616654831 351190916 /nfs/dbraw/zinc/19/09/16/351190916.db2.gz ODYULCPXFXKATJ-SECBINFHSA-N 1 0 234.365 0.928 10 0 BCAERO NC(=O)c1ccccc1[C@H]1COCCN1CC[NH3+] ZINC000616638239 351138342 /nfs/dbraw/zinc/13/83/42/351138342.db2.gz CZVVKZHAIBZZKV-GFCCVEGCSA-N 1 0 249.314 0.118 10 0 BCAERO NC(=[NH2+])N1CCC=C(Br)C1 ZINC000404202718 351141754 /nfs/dbraw/zinc/14/17/54/351141754.db2.gz RUYCBPNWMGWXPK-UHFFFAOYSA-N 1 0 204.071 0.864 10 0 BCAERO [NH3+]CCN1CCCO[C@@H](c2ncco2)C1 ZINC000616654963 351191852 /nfs/dbraw/zinc/19/18/52/351191852.db2.gz OAPJJMVRBYBSDX-SECBINFHSA-N 1 0 211.265 0.397 10 0 BCAERO C[NH2+][C@H](C)C(=O)N[C@H](COC)C(C)C ZINC000083399367 351232836 /nfs/dbraw/zinc/23/28/36/351232836.db2.gz WFQCDTAVOOMZHG-RKDXNWHRSA-N 1 0 202.298 0.382 10 0 BCAERO [NH3+]CCN1C[C@@H](c2nn[nH]n2)Cc2ccccc21 ZINC000616671561 351234025 /nfs/dbraw/zinc/23/40/25/351234025.db2.gz KBHROABLIAISAM-JTQLQIEISA-N 1 0 244.302 0.305 10 0 BCAERO C[NH+](C)[C@H]1Cc2ccccc2N(CCO)C1 ZINC000616673940 351237983 /nfs/dbraw/zinc/23/79/83/351237983.db2.gz VSVBUSCWLAIAJO-LBPRGKRZSA-N 1 0 220.316 0.972 10 0 BCAERO NS(=O)(=O)N1CC[C@@H](C[NH3+])c2ccccc21 ZINC000616676431 351240760 /nfs/dbraw/zinc/24/07/60/351240760.db2.gz MZRXTXDAVLGHBA-QMMMGPOBSA-N 1 0 241.316 0.143 10 0 BCAERO Cc1noc(CSC2=[NH+]C[C@@H](C)N2)n1 ZINC000306861505 351240881 /nfs/dbraw/zinc/24/08/81/351240881.db2.gz FMQODVPSDQLPSV-RXMQYKEDSA-N 1 0 212.278 0.959 10 0 BCAERO CN1CCO[C@@H](c2cccc(C(N)=O)c2)C1 ZINC000616676789 351241619 /nfs/dbraw/zinc/24/16/19/351241619.db2.gz LMFHDTSDINOLED-LLVKDONJSA-N 1 0 220.272 0.789 10 0 BCAERO NC(=O)N1c2ccccc2NC[C@H]1CC[NH3+] ZINC000616682772 351253494 /nfs/dbraw/zinc/25/34/94/351253494.db2.gz CCGKIMFQEZFWCO-MRVPVSSYSA-N 1 0 220.276 0.715 10 0 BCAERO [NH3+]C[C@@H]1CNc2ccccc2N1CCO ZINC000616685180 351254421 /nfs/dbraw/zinc/25/44/21/351254421.db2.gz QLBCWJFLSHNGDN-SECBINFHSA-N 1 0 207.277 0.238 10 0 BCAERO NC(=O)N1CCN[C@@H](c2ccccc2CCO)C1 ZINC000616654202 351195783 /nfs/dbraw/zinc/19/57/83/351195783.db2.gz NXNIRVPEKQUFNX-GFCCVEGCSA-N 1 0 249.314 0.246 10 0 BCAERO [NH3+]CCN1CC[NH2+][C@@H](c2cccc(C(=O)[O-])c2)C1 ZINC000616654755 351196562 /nfs/dbraw/zinc/19/65/62/351196562.db2.gz PCKNOOCYEDJPKD-GFCCVEGCSA-N 1 0 249.314 0.290 10 0 BCAERO CCOC(=O)N1CCOC[C@H](C[NH3+])C1 ZINC000616657414 351199089 /nfs/dbraw/zinc/19/90/89/351199089.db2.gz FQFOLTJKOQOWFY-MRVPVSSYSA-N 1 0 202.254 0.050 10 0 BCAERO Nc1cccc([C@H]2CCOCCN2CC[NH3+])c1 ZINC000616657815 351199581 /nfs/dbraw/zinc/19/95/81/351199581.db2.gz PZYAKKFFEBWVTF-CYBMUJFWSA-N 1 0 235.331 0.991 10 0 BCAERO [NH3+]CCN1CCOCC[C@@H]1c1c[nH]cn1 ZINC000616658340 351203858 /nfs/dbraw/zinc/20/38/58/351203858.db2.gz RQULIDYHGUHFJA-SNVBAGLBSA-N 1 0 210.281 0.132 10 0 BCAERO COC(=O)N1CCOCC[C@@H]1CC[NH3+] ZINC000616658525 351204502 /nfs/dbraw/zinc/20/45/02/351204502.db2.gz MRTWADKEIJFMSV-QMMMGPOBSA-N 1 0 202.254 0.193 10 0 BCAERO Nc1ccc([C@H]2CCOCCN2CC[NH3+])cc1 ZINC000616658489 351204516 /nfs/dbraw/zinc/20/45/16/351204516.db2.gz UCTMBTLDSJSCFE-CYBMUJFWSA-N 1 0 235.331 0.991 10 0 BCAERO OCC[N@@H+]1CCOC[C@@H](c2cnco2)C1 ZINC000616659014 351205369 /nfs/dbraw/zinc/20/53/69/351205369.db2.gz BEEFGBMOGDOWEM-VIFPVBQESA-N 1 0 212.249 0.083 10 0 BCAERO [NH3+]CCN1CCOCC[C@@H]1c1ncco1 ZINC000616659126 351205954 /nfs/dbraw/zinc/20/59/54/351205954.db2.gz ZGQSUSMNLXVRND-SECBINFHSA-N 1 0 211.265 0.397 10 0 BCAERO CC(C)(C)OC(=O)NC[C@H]1CCOCC[NH2+]1 ZINC000616659759 351208026 /nfs/dbraw/zinc/20/80/26/351208026.db2.gz PCTVAFMVOKGBHI-SECBINFHSA-N 1 0 230.308 0.890 10 0 BCAERO OCc1ccc([C@H]2C[NH2+]CCOC2)cc1 ZINC000616659699 351208355 /nfs/dbraw/zinc/20/83/55/351208355.db2.gz HREOTZFNSFMFJX-LBPRGKRZSA-N 1 0 207.273 0.882 10 0 BCAERO CCOC(=O)N1CCO[C@H]([NH2+]C)CC1 ZINC000616663392 351215313 /nfs/dbraw/zinc/21/53/13/351215313.db2.gz GPFWSJMHLRVDSO-QMMMGPOBSA-N 1 0 202.254 0.411 10 0 BCAERO [NH3+]CCN1CCOC[C@H](c2ccncc2)C1 ZINC000616663714 351216000 /nfs/dbraw/zinc/21/60/00/351216000.db2.gz ORIFNYFMHLGZAR-GFCCVEGCSA-N 1 0 221.304 0.456 10 0 BCAERO Nc1cccc([C@H]2COCC[N@H+](CCO)C2)n1 ZINC000616661998 351216566 /nfs/dbraw/zinc/21/65/66/351216566.db2.gz YASZPYXSERHNML-SNVBAGLBSA-N 1 0 237.303 0.072 10 0 BCAERO Nc1cccc([C@@H]2COCCN(CC[NH3+])C2)n1 ZINC000616662434 351218139 /nfs/dbraw/zinc/21/81/39/351218139.db2.gz ATUALRKVIIFDJM-JTQLQIEISA-N 1 0 236.319 0.038 10 0 BCAERO [NH3+]CCN1CCO[C@H](c2cc[nH]n2)CC1 ZINC000616665200 351221352 /nfs/dbraw/zinc/22/13/52/351221352.db2.gz AIYDCIMCBPXZCT-JTQLQIEISA-N 1 0 210.281 0.132 10 0 BCAERO [NH3+]CCN1CCO[C@H](c2ncc[nH]2)CC1 ZINC000616665470 351222721 /nfs/dbraw/zinc/22/27/21/351222721.db2.gz KHXRMRINVZCRKA-VIFPVBQESA-N 1 0 210.281 0.132 10 0 BCAERO CN(C)c1ccc(C(=O)N[C@H]2CC[NH2+]C2)cc1 ZINC000036286666 358461452 /nfs/dbraw/zinc/46/14/52/358461452.db2.gz XNXUWYVBGQWALR-NSHDSACASA-N 1 0 233.315 0.844 10 0 BCAERO [NH3+]CCN1c2ccccc2CC[C@H]1CO ZINC000616668804 351227987 /nfs/dbraw/zinc/22/79/87/351227987.db2.gz GBKSVCKOHXXCSP-NSHDSACASA-N 1 0 206.289 0.759 10 0 BCAERO CCn1ncnc1C(=O)C1=CC[C@@H]([NH3+])C1 ZINC000306886694 351293228 /nfs/dbraw/zinc/29/32/28/351293228.db2.gz PSXLMZXICUJUGO-HTQZYQBOSA-N 1 0 206.249 0.384 10 0 BCAERO CCn1ncnc1C(=O)C1=CC[C@@H]([NH3+])C1 ZINC000306886695 351293296 /nfs/dbraw/zinc/29/32/96/351293296.db2.gz PSXLMZXICUJUGO-JGVFFNPUSA-N 1 0 206.249 0.384 10 0 BCAERO C[C@@H]1C[C@@H]1[NH2+][C@@H]1CCCS(=O)(=O)C1 ZINC000068940362 351297096 /nfs/dbraw/zinc/29/70/96/351297096.db2.gz MRXAIMKTKXXLTI-HLTSFMKQSA-N 1 0 203.307 0.562 10 0 BCAERO [NH3+][C@@H]1CCC[C@H]1NC(=O)c1cscn1 ZINC000063171872 351268843 /nfs/dbraw/zinc/26/88/43/351268843.db2.gz CIDGZFUAPBNYTF-RNFRBKRXSA-N 1 0 211.290 0.753 10 0 BCAERO Cc1cc(C[NH2+]C[C@@H]2CC(=O)N(C)C2)on1 ZINC000631175317 351273576 /nfs/dbraw/zinc/27/35/76/351273576.db2.gz MOTQUIFAKSHCID-VIFPVBQESA-N 1 0 223.276 0.551 10 0 BCAERO CONC(=O)C1(C[NH3+])CCC(C)CC1 ZINC000168328574 351378953 /nfs/dbraw/zinc/37/89/53/351378953.db2.gz LQYDASWZGCKVMX-UHFFFAOYSA-N 1 0 200.282 0.819 10 0 BCAERO C[C@H]1CC[C@H](C(=O)NCC(C)(C)[NH3+])O1 ZINC000168369591 351391541 /nfs/dbraw/zinc/39/15/41/351391541.db2.gz ZEZQFZUVHBAHDQ-JGVFFNPUSA-N 1 0 200.282 0.407 10 0 BCAERO [NH3+]C[C@@H](O)Cc1coc(Br)c1 ZINC000306990258 351406527 /nfs/dbraw/zinc/40/65/27/351406527.db2.gz IQGTUPDJVYZGES-LURJTMIESA-N 1 0 220.066 0.904 10 0 BCAERO CC(C)[S@](=O)N1C[C@@H]([NH3+])CC[C@H]1C ZINC000306981144 351400901 /nfs/dbraw/zinc/40/09/01/351400901.db2.gz HHEGBBQDAOFRBL-ZDMBXUJBSA-N 1 0 204.339 0.870 10 0 BCAERO COC[C@@H](C)[NH2+][C@@H](C)C(=O)NC1CC1 ZINC000034937421 351352071 /nfs/dbraw/zinc/35/20/71/351352071.db2.gz IPACWIJZPNNDCD-SFYZADRCSA-N 1 0 200.282 0.278 10 0 BCAERO CCCCOC[C@H](O)C[NH2+][C@H](CC)[C@H](C)O ZINC000386680283 363027207 /nfs/dbraw/zinc/02/72/07/363027207.db2.gz IBEVXJZRCNCZTA-QJPTWQEYSA-N 1 0 233.352 0.913 10 0 BCAERO CCCCOC[C@H](O)C[NH2+][C@@H](CC)[C@@H](C)O ZINC000386680285 363027336 /nfs/dbraw/zinc/02/73/36/363027336.db2.gz IBEVXJZRCNCZTA-UTUOFQBUSA-N 1 0 233.352 0.913 10 0 BCAERO C[C@@H]1C[C@@H]([NH3+])CN(Cc2csnn2)C1 ZINC000306996722 351411678 /nfs/dbraw/zinc/41/16/78/351411678.db2.gz TWXLPYCCSGQIGI-HTQZYQBOSA-N 1 0 212.322 0.707 10 0 BCAERO C[C@H]1[C@]2(CCS1(=O)=O)CC[NH2+]C[C@H]2C ZINC000307138566 351495149 /nfs/dbraw/zinc/49/51/49/351495149.db2.gz ATIWGBCCGUFVLN-UTLUCORTSA-N 1 0 217.334 0.809 10 0 BCAERO C[NH+](C)CC1CN(C2=NC(=O)CS2)C1 ZINC000307138679 351495224 /nfs/dbraw/zinc/49/52/24/351495224.db2.gz AZRYJMIEIMKSJJ-UHFFFAOYSA-N 1 0 213.306 0.847 10 0 BCAERO COC[C@H]([NH3+])C(=O)NCCOC1CCCC1 ZINC000088004397 351509615 /nfs/dbraw/zinc/50/96/15/351509615.db2.gz HTPVQSKBQSIFRN-JTQLQIEISA-N 1 0 230.308 0.036 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N1C[C@H](C)[C@H](C)C1 ZINC000088004920 351510829 /nfs/dbraw/zinc/51/08/29/351510829.db2.gz NEBNZEMLPJQNMP-HRDYMLBCSA-N 1 0 200.282 0.075 10 0 BCAERO NC(=S)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000307091494 351475449 /nfs/dbraw/zinc/47/54/49/351475449.db2.gz QXENZYCXJBOORE-GDNZZTSVSA-N 1 0 247.367 0.950 10 0 BCAERO COC[C@@H]([NH3+])C(=O)Nc1ccnn1C(C)C ZINC000088002279 351480889 /nfs/dbraw/zinc/48/08/89/351480889.db2.gz OHMBVWRBUUMMAS-MRVPVSSYSA-N 1 0 226.280 0.376 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N[C@@H](C)c1cccnc1 ZINC000088002800 351487840 /nfs/dbraw/zinc/48/78/40/351487840.db2.gz RFJHALLBWYYWCN-WCBMZHEXSA-N 1 0 223.276 0.233 10 0 BCAERO C[C@@]1(O)CCC[C@@H]1SC1=[NH+]CCN1 ZINC000307162973 351528116 /nfs/dbraw/zinc/52/81/16/351528116.db2.gz HYAFTLTUYXLXQA-IONNQARKSA-N 1 0 200.307 0.982 10 0 BCAERO O=C(N[C@H]1CCCC[C@@H]1O)[C@H]1CCC[NH2+]C1 ZINC000088033430 351519187 /nfs/dbraw/zinc/51/91/87/351519187.db2.gz YPUOZGNXCJHKFX-DCAQKATOSA-N 1 0 226.320 0.406 10 0 BCAERO OC[C@@H]1C[N@H+](CC[C@@H]2CCCO2)CCO1 ZINC000088094158 351568354 /nfs/dbraw/zinc/56/83/54/351568354.db2.gz UFZHLZYDYLNNAR-QWRGUYRKSA-N 1 0 215.293 0.249 10 0 BCAERO CC(C)CNC(=O)[C@@H](C)[N@@H+]1CC[C@H](CCO)C1 ZINC000252895345 535163501 /nfs/dbraw/zinc/16/35/01/535163501.db2.gz YLRCRTIJMXVNCZ-VXGBXAGGSA-N 1 0 242.363 0.851 10 0 BCAERO CC[C@](C)(O)C[N@@H+]1CCC[C@H](O)[C@@H]1C ZINC000307232761 351687945 /nfs/dbraw/zinc/68/79/45/351687945.db2.gz DSGNOEGZJHHSGU-DCAQKATOSA-N 1 0 201.310 0.993 10 0 BCAERO [NH3+]C[C@H](O)CNc1ccc(Br)cn1 ZINC000307233508 351701592 /nfs/dbraw/zinc/70/15/92/351701592.db2.gz DWYRHCRXUJPUBU-ZETCQYMHSA-N 1 0 246.108 0.576 10 0 BCAERO C[C@@H](CN(C)Cc1ccccc1)NC(N)=[NH2+] ZINC000307233577 351702288 /nfs/dbraw/zinc/70/22/88/351702288.db2.gz MAAJVKIRLSTUTN-JTQLQIEISA-N 1 0 220.320 0.990 10 0 BCAERO COC[C@H](C)NC(=O)[C@@]1(COC)CCCC[NH2+]1 ZINC000637877139 351742524 /nfs/dbraw/zinc/74/25/24/351742524.db2.gz QSYLARJAUCMXFM-JQWIXIFHSA-N 1 0 244.335 0.296 10 0 BCAERO CN[C@@H](c1nnn(C)n1)[C@@H]1CCCS1 ZINC000307242748 351747314 /nfs/dbraw/zinc/74/73/14/351747314.db2.gz JMJORXBFZGFKOQ-NKWVEPMBSA-N 1 0 213.310 0.366 10 0 BCAERO CC[NH2+][C@@H](C)C(=O)NCC[C@@H]1CCCO1 ZINC000637904540 351775737 /nfs/dbraw/zinc/77/57/37/351775737.db2.gz XHYUXHLUTQVADF-UWVGGRQHSA-N 1 0 214.309 0.670 10 0 BCAERO Cn1cnnc1C(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000307253575 351780697 /nfs/dbraw/zinc/78/06/97/351780697.db2.gz VPXVLWGABZXTLL-SFYZADRCSA-N 1 0 208.265 0.373 10 0 BCAERO COC[C@@]1(C(=O)NCC[C@H](C)O)CCCC[NH2+]1 ZINC000637909087 351783192 /nfs/dbraw/zinc/78/31/92/351783192.db2.gz AFQJETBLBIDAEZ-CMPLNLGQSA-N 1 0 244.335 0.032 10 0 BCAERO COC[C@]1(C(=O)NCC[C@@H](C)O)CCCC[NH2+]1 ZINC000637909089 351783405 /nfs/dbraw/zinc/78/34/05/351783405.db2.gz AFQJETBLBIDAEZ-PWSUYJOCSA-N 1 0 244.335 0.032 10 0 BCAERO [NH3+]C[C@H](O)CNc1ccncc1Br ZINC000307255535 351789988 /nfs/dbraw/zinc/78/99/88/351789988.db2.gz ZODIKMHRWYUXSN-LURJTMIESA-N 1 0 246.108 0.576 10 0 BCAERO CCNC(=O)N[C@H]1CCOC12CC[NH2+]CC2 ZINC000725269075 538101207 /nfs/dbraw/zinc/10/12/07/538101207.db2.gz CNCJCIPKBIUFIY-VIFPVBQESA-N 1 0 227.308 0.217 10 0 BCAERO CC(C)(C[NH3+])Cn1cc(Cl)cnc1=O ZINC000307252381 351771131 /nfs/dbraw/zinc/77/11/31/351771131.db2.gz SCBNPHSHRQVVEG-UHFFFAOYSA-N 1 0 215.684 0.882 10 0 BCAERO CC(C)(C)[S@](=O)CC1(O)CC[NH2+]CC1 ZINC000307270967 351823980 /nfs/dbraw/zinc/82/39/80/351823980.db2.gz AUKZVDPKWYEAQZ-CQSZACIVSA-N 1 0 219.350 0.648 10 0 BCAERO CCCNC(=O)N1CCC2(CC1)OCC[C@H]2[NH3+] ZINC000725269194 538101286 /nfs/dbraw/zinc/10/12/86/538101286.db2.gz FRKBOXOVZLXTNE-SNVBAGLBSA-N 1 0 241.335 0.688 10 0 BCAERO C[C@@H]1CN([C@H]2CCO[C@]23CCOC3)CC[NH2+]1 ZINC000725269098 538101335 /nfs/dbraw/zinc/10/13/35/538101335.db2.gz KFQXGFAGVNSJJI-WOPDTQHZSA-N 1 0 226.320 0.228 10 0 BCAERO COC(=O)[C@H](C)NC[C@@H]1C[NH2+]CC12CCC2 ZINC000725269369 538101339 /nfs/dbraw/zinc/10/13/39/538101339.db2.gz SSPIWSRBCQJJCH-UWVGGRQHSA-N 1 0 226.320 0.527 10 0 BCAERO CS(C)(=O)=NC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000307262216 351808630 /nfs/dbraw/zinc/80/86/30/351808630.db2.gz WLLODMAONWRHKZ-RQJHMYQMSA-N 1 0 204.295 0.368 10 0 BCAERO CC1(NC(=O)[C@H](F)C2C[NH2+]C2)CCC1 ZINC000307268726 351815308 /nfs/dbraw/zinc/81/53/08/351815308.db2.gz LBXBMFXUOBAVIZ-MRVPVSSYSA-N 1 0 200.257 0.603 10 0 BCAERO CO[C@@H]1C[NH2+][C@](C)(C(=O)N[C@H]2C[C@@H]2C)C1 ZINC000637937748 351815587 /nfs/dbraw/zinc/81/55/87/351815587.db2.gz YSCUDFVEBHTXAO-KBIXCLLPSA-N 1 0 212.293 0.278 10 0 BCAERO C[C@@H](O)C1CCN(C(=O)C2=CC[C@@H]([NH3+])C2)CC1 ZINC000637975279 351851525 /nfs/dbraw/zinc/85/15/25/351851525.db2.gz ICWQQAZHWSCDLK-BXKDBHETSA-N 1 0 238.331 0.653 10 0 BCAERO CNC(=O)[C@@H](C)[N@@H+]1CCCSCC1 ZINC000307286292 351851577 /nfs/dbraw/zinc/85/15/77/351851577.db2.gz QMUAUVCAXMQASO-MRVPVSSYSA-N 1 0 202.323 0.560 10 0 BCAERO CNC(=O)[C@H](C)[N@@H+]1CCCSCC1 ZINC000307286293 351851700 /nfs/dbraw/zinc/85/17/00/351851700.db2.gz QMUAUVCAXMQASO-QMMMGPOBSA-N 1 0 202.323 0.560 10 0 BCAERO CC[NH2+][C@@H](C)C(=O)N1CCC([C@H](C)O)CC1 ZINC000637975332 351851717 /nfs/dbraw/zinc/85/17/17/351851717.db2.gz JPYLVEPSFJWCCB-UWVGGRQHSA-N 1 0 228.336 0.604 10 0 BCAERO [NH3+]C[C@@]1(C(=O)N[C@@H]2CCCOC2)CCCOC1 ZINC000637981786 351856457 /nfs/dbraw/zinc/85/64/57/351856457.db2.gz KWOVMVWKVCVPJH-PWSUYJOCSA-N 1 0 242.319 0.037 10 0 BCAERO CCCC(=O)N1CCC2(CC1)OCC[C@@H]2[NH3+] ZINC000725269269 538101456 /nfs/dbraw/zinc/10/14/56/538101456.db2.gz IZJGSAIJSVLKIH-JTQLQIEISA-N 1 0 226.320 0.895 10 0 BCAERO [NH3+][C@@H](CC(F)F)C(=O)Nc1cnns1 ZINC000307284528 351847079 /nfs/dbraw/zinc/84/70/79/351847079.db2.gz JHMNLZMHNDVJIV-VKHMYHEASA-N 1 0 222.220 0.459 10 0 BCAERO C[C@@H]1CN([C@H]2CCO[C@@]23CCOC3)CC[NH2+]1 ZINC000725269092 538101495 /nfs/dbraw/zinc/10/14/95/538101495.db2.gz KFQXGFAGVNSJJI-GRYCIOLGSA-N 1 0 226.320 0.228 10 0 BCAERO CC(C)CC[C@H]([NH3+])C(=O)NCC1(C)COC1 ZINC000637992793 351870603 /nfs/dbraw/zinc/87/06/03/351870603.db2.gz LZOCKYSFKNDGEI-JTQLQIEISA-N 1 0 228.336 0.903 10 0 BCAERO CCC[C@@H]1C[C@@H]1NC(=O)c1cnc(C[NH3+])nc1 ZINC000638039055 351919942 /nfs/dbraw/zinc/91/99/42/351919942.db2.gz RNVKTWADOCWBDY-SCZZXKLOSA-N 1 0 234.303 0.854 10 0 BCAERO CCC[C@@H]1C[C@@H]1NC(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000638038663 351922071 /nfs/dbraw/zinc/92/20/71/351922071.db2.gz OOWRKOMRQYKTAE-XFWSIPNHSA-N 1 0 212.293 0.407 10 0 BCAERO Cn1ncc(C[C@H]([NH3+])[C@H]2CCCS2)n1 ZINC000307305003 351931698 /nfs/dbraw/zinc/93/16/98/351931698.db2.gz QZQRXLWUJGQVBK-DTWKUNHWSA-N 1 0 212.322 0.581 10 0 BCAERO O=C(N=S1(=O)CCCC1)[C@H]1CCC[NH2+]1 ZINC000307293376 351902256 /nfs/dbraw/zinc/90/22/56/351902256.db2.gz FGHFMCAXMPRBDD-MRVPVSSYSA-N 1 0 216.306 0.527 10 0 BCAERO CC[NH2+][C@H](C)C(=O)N1CCn2ccnc2C1 ZINC000638095926 351976048 /nfs/dbraw/zinc/97/60/48/351976048.db2.gz CVPGNVFAJLCTLM-SECBINFHSA-N 1 0 222.292 0.223 10 0 BCAERO CC(C)[S@@](=O)N1C[C@H](C)C[C@@H]([NH3+])C1 ZINC000307335446 352054741 /nfs/dbraw/zinc/05/47/41/352054741.db2.gz MZYCEYFPABYRGR-JRKPZEMJSA-N 1 0 204.339 0.728 10 0 BCAERO Cc1conc1C(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000638205955 352068151 /nfs/dbraw/zinc/06/81/51/352068151.db2.gz KCHCPFFJSROWOD-DTWKUNHWSA-N 1 0 223.276 0.853 10 0 BCAERO CC(C)C(=O)N[C@@H]1CCOC12CC[NH2+]CC2 ZINC000725270062 538101895 /nfs/dbraw/zinc/10/18/95/538101895.db2.gz WPDSZYJGYCTEND-SNVBAGLBSA-N 1 0 226.320 0.670 10 0 BCAERO C[NH2+]C1(C(=O)Nc2cnns2)CCC1 ZINC000307327922 352023036 /nfs/dbraw/zinc/02/30/36/352023036.db2.gz JSUBQQDQUWCKEZ-UHFFFAOYSA-N 1 0 212.278 0.619 10 0 BCAERO COC1CC(C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)C1 ZINC000638170760 352033860 /nfs/dbraw/zinc/03/38/60/352033860.db2.gz UGIUVRIEVFXLNS-HHTLKZDDSA-N 1 0 238.331 0.607 10 0 BCAERO C[NH2+][C@@H](C)CNC(=O)[C@H](CC(C)C)NC(C)=O ZINC000638220557 352079521 /nfs/dbraw/zinc/07/95/21/352079521.db2.gz RNFUQVLESGAACK-ONGXEEELSA-N 1 0 243.351 0.261 10 0 BCAERO C[C@@H]1C[C@H](C(=O)N2CC[C@H]([NH3+])[C@H]2C)[C@H](C)O1 ZINC000638235703 352086232 /nfs/dbraw/zinc/08/62/32/352086232.db2.gz QDZQOOYQKQRKPW-UVOCVTCTSA-N 1 0 226.320 0.748 10 0 BCAERO CC(C)(CO)NC(=O)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000035605293 187594354 /nfs/dbraw/zinc/59/43/54/187594354.db2.gz CDINPJIXJKTTRJ-GFCCVEGCSA-N 1 0 248.326 0.588 10 0 BCAERO Cc1cc(C)c(C(=O)N2C[C@H]([NH3+])[C@@H](C)C2)c(=O)[nH]1 ZINC000638329651 352150385 /nfs/dbraw/zinc/15/03/85/352150385.db2.gz AOKUFFCGXDAXAF-WPRPVWTQSA-N 1 0 249.314 0.823 10 0 BCAERO CC(C)[C@H](CN(C)C)[NH2+][C@H](C)C(=O)NC1CC1 ZINC000049205441 187607664 /nfs/dbraw/zinc/60/76/64/187607664.db2.gz SUFTVGVIUMDSSE-PWSUYJOCSA-N 1 0 241.379 0.829 10 0 BCAERO COc1ccc(CN2CC[C@@H]([NH3+])C2=O)cc1 ZINC000049647304 187608548 /nfs/dbraw/zinc/60/85/48/187608548.db2.gz HAGJMFSHYXVTPW-LLVKDONJSA-N 1 0 220.272 0.755 10 0 BCAERO COC1CC(C(=O)N2C[C@@H](C)[C@@H]([NH3+])C2)C1 ZINC000638331614 352153788 /nfs/dbraw/zinc/15/37/88/352153788.db2.gz LJLMSMHYDJVDAQ-WOOKNIGNSA-N 1 0 212.293 0.217 10 0 BCAERO CCCn1cnnc1[C@@H](C)N1CC[NH2+]CC1 ZINC000054497848 187611924 /nfs/dbraw/zinc/61/19/24/187611924.db2.gz UWJHTRRGBOXBJQ-SNVBAGLBSA-N 1 0 223.324 0.654 10 0 BCAERO CC(C)S(=O)(=O)NC[C@@H]1CCCCC[NH2+]1 ZINC000725270116 538102093 /nfs/dbraw/zinc/10/20/93/538102093.db2.gz XSDGACFDEYUIGY-JTQLQIEISA-N 1 0 234.365 0.846 10 0 BCAERO Cc1conc1C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000638395704 352202331 /nfs/dbraw/zinc/20/23/31/352202331.db2.gz DEDVJSPGIJQELW-YFKPBYRVSA-N 1 0 237.181 0.602 10 0 BCAERO N[C@@H]1C[NH2+]Cc2c1c(=O)[nH]n2Cc1ccccc1 ZINC000536953930 538102317 /nfs/dbraw/zinc/10/23/17/538102317.db2.gz JWRCEYMDOBPPLY-SNVBAGLBSA-N 1 0 244.298 0.740 10 0 BCAERO COC[C@H]([NH3+])C(=O)NC1CCC(OC)CC1 ZINC000638444933 352252243 /nfs/dbraw/zinc/25/22/43/352252243.db2.gz KOHKSBWYZPEDPH-RTBKNWGFSA-N 1 0 230.308 0.034 10 0 BCAERO CC(=O)N1CCC2(CC1)[NH2+]CCS2 ZINC000300946370 363175650 /nfs/dbraw/zinc/17/56/50/363175650.db2.gz FAAIUIMHOBNEHM-UHFFFAOYSA-N 1 0 200.307 0.661 10 0 BCAERO Cn1nc(C[NH3+])cc1C(=O)OC(C)(C)C ZINC000725270250 538102820 /nfs/dbraw/zinc/10/28/20/538102820.db2.gz JVZLGBCDOAYAFL-UHFFFAOYSA-N 1 0 211.265 0.834 10 0 BCAERO COC(=O)[C@@H](CCCC[NH3+])[C@@H]1CCOC1 ZINC000725271406 538103174 /nfs/dbraw/zinc/10/31/74/538103174.db2.gz MCKUQXZHIURRNF-ZJUUUORDSA-N 1 0 215.293 0.941 10 0 BCAERO CC(C)[C@H](C)NC(=O)C1(C[NH3+])CCOCC1 ZINC000044762400 187702851 /nfs/dbraw/zinc/70/28/51/187702851.db2.gz JOMAOFSFLKHDBQ-JTQLQIEISA-N 1 0 228.336 0.903 10 0 BCAERO C[NH2+]CCOCCN(C)C(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000638594414 352425090 /nfs/dbraw/zinc/42/50/90/352425090.db2.gz PCKINDPWZWAHJC-ZSBIGDGJSA-N 1 0 240.347 0.727 10 0 BCAERO Cn1ccs/c1=N\C(=O)C[C@@H]1CC[NH2+]C1 ZINC000130266941 187707874 /nfs/dbraw/zinc/70/78/74/187707874.db2.gz SCPYGWFRUVDZBX-UGFBRPNYSA-N 1 0 225.317 0.514 10 0 BCAERO C[NH2+][C@H](C)C(=O)NCc1cccnc1C ZINC000638600345 352432996 /nfs/dbraw/zinc/43/29/96/352432996.db2.gz WGWJBEDLTQVISQ-SECBINFHSA-N 1 0 207.277 0.614 10 0 BCAERO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H]1CC[C@H](C)O1 ZINC000638574102 352403623 /nfs/dbraw/zinc/40/36/23/352403623.db2.gz PPWZYDUJQZYKLW-MMWGEVLESA-N 1 0 226.320 0.811 10 0 BCAERO C[NH2+]CCOCCNC(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000638577485 352405823 /nfs/dbraw/zinc/40/58/23/352405823.db2.gz ZNDQKQXORZRRBP-JGPRNRPPSA-N 1 0 226.320 0.385 10 0 BCAERO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NC(=O)[C@@H]1CC[NH2+]C1 ZINC000638630169 352469289 /nfs/dbraw/zinc/46/92/89/352469289.db2.gz QQXYNBAFRQCWFR-RCZSTQMZSA-N 1 0 226.320 0.524 10 0 BCAERO O=C(C1CC1)N1CCC[NH2+]CCOCC1 ZINC000725271692 538103580 /nfs/dbraw/zinc/10/35/80/538103580.db2.gz RDKCQAUREYJKHR-UHFFFAOYSA-N 1 0 212.293 0.235 10 0 BCAERO Cn1ccnc1C[NH2+]C[C@@H]1CCC[C@@H]1O ZINC000084230182 180746781 /nfs/dbraw/zinc/74/67/81/180746781.db2.gz SSXPDZFUJQYXQS-UWVGGRQHSA-N 1 0 209.293 0.671 10 0 BCAERO C[C@@H]1OCC[C@@H]1S[C@H]1C[NH2+]C[C@@H]1O ZINC000300337767 352559236 /nfs/dbraw/zinc/55/92/36/352559236.db2.gz OUSURMMUXFELMU-JBDRJPRFSA-N 1 0 203.307 0.230 10 0 BCAERO C[NH2+]CCC1=NCCN1C(=O)CC(C)C ZINC000725272131 538103955 /nfs/dbraw/zinc/10/39/55/538103955.db2.gz HRXXRHSWQNKHFS-UHFFFAOYSA-N 1 0 211.309 0.883 10 0 BCAERO [NH3+]CC1(F)CN(S(=O)(=O)C2CCCC2)C1 ZINC000725272772 538104127 /nfs/dbraw/zinc/10/41/27/538104127.db2.gz MIZPUZSKXLDULM-UHFFFAOYSA-N 1 0 236.312 0.241 10 0 BCAERO O=C([C@H]1CCC[NH2+]C1)N1CCO[C@@H](CCF)C1 ZINC000638683946 352521986 /nfs/dbraw/zinc/52/19/86/352521986.db2.gz NNGZVDWNYGWFFK-QWRGUYRKSA-N 1 0 244.310 0.573 10 0 BCAERO C[NH2+][C@H](C)C(=O)N[C@@H]1CO[C@H](C2CC2)C1 ZINC000638694790 352531748 /nfs/dbraw/zinc/53/17/48/352531748.db2.gz ILIQMNGZZJAITR-JEZHCXPESA-N 1 0 212.293 0.278 10 0 BCAERO CC[C@@H]1[C@@H]2C[NH2+]C[C@H]2CN1[S@](C)=O ZINC000307432652 352595065 /nfs/dbraw/zinc/59/50/65/352595065.db2.gz ZPOSIQQKYYNLAA-QARKVSRYSA-N 1 0 202.323 0.210 10 0 BCAERO C[S@](=O)N1C[C@@H]2C[NH2+]C[C@H]2C1(C)C ZINC000307436424 352596287 /nfs/dbraw/zinc/59/62/87/352596287.db2.gz PBWQQYOFNOTGAW-DAROEXNTSA-N 1 0 202.323 0.210 10 0 BCAERO CC(C)[S@@](=O)N1C[C@H]2C[C@@H](C1)C2[NH3+] ZINC000307447257 352602109 /nfs/dbraw/zinc/60/21/09/352602109.db2.gz IGAGNRBIWZRPCR-CWWJLMTASA-N 1 0 202.323 0.338 10 0 BCAERO CCC[C@H]([NH3+])C(=O)NCc1cccc(C(N)=O)c1 ZINC000040832070 352604632 /nfs/dbraw/zinc/60/46/32/352604632.db2.gz AGEGIOVWEFLUCV-NSHDSACASA-N 1 0 249.314 0.529 10 0 BCAERO C[C@@H](C(N)=S)[N@@H+]1C[C@@H](O)CC[C@H]1C ZINC000307453881 352608833 /nfs/dbraw/zinc/60/88/33/352608833.db2.gz VIECWEAVTSIYSE-CSMHCCOUSA-N 1 0 202.323 0.506 10 0 BCAERO Cn1nnc(Br)c1/C=C/C[NH3+] ZINC000307464853 352615462 /nfs/dbraw/zinc/61/54/62/352615462.db2.gz IAWHKFRLDGBQAQ-NSCUHMNNSA-N 1 0 217.070 0.550 10 0 BCAERO CC1(C)SC[C@@H]1N1C[C@@H]([NH3+])CC1=O ZINC000307474716 352615954 /nfs/dbraw/zinc/61/59/54/352615954.db2.gz JQLNCDUHAFMJDY-BQBZGAKWSA-N 1 0 200.307 0.440 10 0 BCAERO COC[C@@H]([NH3+])C(=O)NC[C@@H](C)c1nccs1 ZINC000300361521 352560113 /nfs/dbraw/zinc/56/01/13/352560113.db2.gz GKKPYWGWKHTGIG-HTQZYQBOSA-N 1 0 243.332 0.337 10 0 BCAERO C[NH2+][C@H](C)C(=O)N[C@H]1CCO[C@H](C)C1 ZINC000300390600 352562254 /nfs/dbraw/zinc/56/22/54/352562254.db2.gz URMJDRBETBPAEM-HLTSFMKQSA-N 1 0 200.282 0.278 10 0 BCAERO C[C@@]1(C(=O)NCc2ccc[nH]c2=O)CCCC[NH2+]1 ZINC000638724943 352582281 /nfs/dbraw/zinc/58/22/81/352582281.db2.gz DDPDDPLTORJJIS-ZDUSSCGKSA-N 1 0 249.314 0.936 10 0 BCAERO Cn1cc([C@@H]([NH3+])Cc2cncs2)nn1 ZINC000307542261 352646112 /nfs/dbraw/zinc/64/61/12/352646112.db2.gz PVORGJWQEWBCCX-ZETCQYMHSA-N 1 0 209.278 0.514 10 0 BCAERO C[NH2+][C@@H]1CCOC[C@H]1Cc1csnn1 ZINC000307564348 352652555 /nfs/dbraw/zinc/65/25/55/352652555.db2.gz DGFUQBQNHXOPLJ-VXNVDRBHSA-N 1 0 213.306 0.705 10 0 BCAERO C[NH2+][C@H]1CCOC[C@@H]1Cc1csnn1 ZINC000307564335 352652703 /nfs/dbraw/zinc/65/27/03/352652703.db2.gz DGFUQBQNHXOPLJ-CBAPKCEASA-N 1 0 213.306 0.705 10 0 BCAERO C[C@H]1CCC[C@H]1[NH2+]C1CS(=O)(=O)C1 ZINC000307574102 352658525 /nfs/dbraw/zinc/65/85/25/352658525.db2.gz GTZLPNLUGXZLOL-IONNQARKSA-N 1 0 203.307 0.562 10 0 BCAERO C[C@]1(c2cccnc2)C[NH2+]C[C@@H]1C(N)=O ZINC000229226492 352659878 /nfs/dbraw/zinc/65/98/78/352659878.db2.gz SMSXUAFHCRZVFQ-MWLCHTKSSA-N 1 0 205.261 0.044 10 0 BCAERO CC[C@H](C(N)=S)[N@@H+]1CCC[C@@H](O)[C@H]1C ZINC000307493502 352625062 /nfs/dbraw/zinc/62/50/62/352625062.db2.gz APHAGTQQEVCWIW-IWSPIJDZSA-N 1 0 216.350 0.896 10 0 BCAERO O=[S@](C[C@@H]1CC[NH2+]C1)C1CCOCC1 ZINC000307500179 352627636 /nfs/dbraw/zinc/62/76/36/352627636.db2.gz RUDSBQFHXNCLAL-YMTOWFKASA-N 1 0 217.334 0.524 10 0 BCAERO C[S@](=O)C1(CN2CCCC2=[NH2+])CC1 ZINC000307514359 352632300 /nfs/dbraw/zinc/63/23/00/352632300.db2.gz MCFNIHHSJPQFJC-ZDUSSCGKSA-N 1 0 200.307 0.971 10 0 BCAERO COC[C@]1(C(=O)N[C@@H]2C[C@H]2C)CCC[NH2+]1 ZINC000638765941 352705304 /nfs/dbraw/zinc/70/53/04/352705304.db2.gz JRVPGDNJUGNMLX-KKZNHRDASA-N 1 0 212.293 0.280 10 0 BCAERO CC[C@@H]1C[NH+]=C(N[C@H]2CNC(=O)C2)S1 ZINC000229255328 352710282 /nfs/dbraw/zinc/71/02/82/352710282.db2.gz MYSBLKRKHKSXJG-RNFRBKRXSA-N 1 0 213.306 0.346 10 0 BCAERO CCCCN(CCO)[C@@H]1COC[C@H]1C[NH+](C)C ZINC000725273784 538104938 /nfs/dbraw/zinc/10/49/38/538104938.db2.gz GKJGGNXATLMTJR-CHWSQXEVSA-N 1 0 244.379 0.657 10 0 BCAERO Cn1cncc1C[NH2+]C[C@@H](O)C(C)(C)C ZINC000112382360 180786766 /nfs/dbraw/zinc/78/67/66/180786766.db2.gz OTSRWSHNGYNTHZ-SNVBAGLBSA-N 1 0 211.309 0.917 10 0 BCAERO c1nnc2sc([C@@H]3CCC[NH2+]C3)nn12 ZINC000032012186 352734906 /nfs/dbraw/zinc/73/49/06/352734906.db2.gz WHOGSJGQPQITPH-ZCFIWIBFSA-N 1 0 209.278 0.653 10 0 BCAERO COC[C@H]([NH3+])C(=O)NC[C@@H]1CCCC12CC2 ZINC000638794795 352861378 /nfs/dbraw/zinc/86/13/78/352861378.db2.gz HJTXHAAQQXZAHN-UWVGGRQHSA-N 1 0 226.320 0.657 10 0 BCAERO CCOC(=O)CCC(=O)NC1CCC([NH3+])CC1 ZINC000078946504 538105717 /nfs/dbraw/zinc/10/57/17/538105717.db2.gz SRXCWMGNYCEGNW-UHFFFAOYSA-N 1 0 242.319 0.716 10 0 BCAERO CO[C@H]1C[C@@H](CNC(=O)C[C@H]2CCC[NH2+]C2)C1 ZINC000638809731 352987450 /nfs/dbraw/zinc/98/74/50/352987450.db2.gz WVGZCSIFPMNAHK-UTUOFQBUSA-N 1 0 240.347 0.917 10 0 BCAERO [NH3+][C@H]1COC[C@@H]1Nc1ncc(Cl)cn1 ZINC000306504217 353020221 /nfs/dbraw/zinc/02/02/21/353020221.db2.gz YKPVBTZETVIDAH-BQBZGAKWSA-N 1 0 214.656 0.268 10 0 BCAERO C[C@@H]1C[C@H](N2CC[C@@H]([NH3+])C2=O)CS1 ZINC000306583761 353026947 /nfs/dbraw/zinc/02/69/47/353026947.db2.gz PTQOUHAOEWFTNB-GJMOJQLCSA-N 1 0 200.307 0.440 10 0 BCAERO CC(C)N(CCO)C(=O)[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000042480935 187946881 /nfs/dbraw/zinc/94/68/81/187946881.db2.gz OSBFVBQOLSDNMS-GHMZBOCLSA-N 1 0 228.336 0.604 10 0 BCAERO C[C@H]1SCC[C@H]1NC(=O)C1C[NH2+]C1 ZINC000306260703 353001023 /nfs/dbraw/zinc/00/10/23/353001023.db2.gz VEZUPOYMUWXSIP-HTRCEHHLSA-N 1 0 200.307 0.216 10 0 BCAERO C[C@@H]([NH3+])c1ccccc1NS(=O)(=O)N(C)C ZINC000020257855 187936131 /nfs/dbraw/zinc/93/61/31/187936131.db2.gz WAXPQYYEVUPXKW-MRVPVSSYSA-N 1 0 243.332 0.925 10 0 BCAERO CC(C)N(CCO)C(=O)[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000042480931 187947441 /nfs/dbraw/zinc/94/74/41/187947441.db2.gz OSBFVBQOLSDNMS-MNOVXSKESA-N 1 0 228.336 0.604 10 0 BCAERO CCCOCC(=O)N1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000638889446 353058077 /nfs/dbraw/zinc/05/80/77/353058077.db2.gz ATHIIFASYWQVDP-UWVGGRQHSA-N 1 0 214.309 0.466 10 0 BCAERO Cc1noc(C)c1C(=O)N1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000638889444 353058227 /nfs/dbraw/zinc/05/82/27/353058227.db2.gz VBAIXFDYTKSCFZ-XCBNKYQSSA-N 1 0 237.303 0.958 10 0 BCAERO COCCCC(=O)N1C[C@H](C)[C@H](C[NH3+])C1 ZINC000638889151 353058235 /nfs/dbraw/zinc/05/82/35/353058235.db2.gz JRXPNFYNKFYXEJ-VHSXEESVSA-N 1 0 214.309 0.466 10 0 BCAERO CO[C@H](C)CCC(=O)N1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000638899988 353062519 /nfs/dbraw/zinc/06/25/19/353062519.db2.gz QVMCGQCVIOARLY-MXWKQRLJSA-N 1 0 228.336 0.855 10 0 BCAERO CC1(C)C[NH2+]CC[C@@H]1NC(=O)C(F)F ZINC000307272302 353064818 /nfs/dbraw/zinc/06/48/18/353064818.db2.gz FESSDPRUVUIVFO-LURJTMIESA-N 1 0 206.236 0.756 10 0 BCAERO C[S@](=O)N1C[C@H]2C[NH2+]C[C@@H]2C1(C)C ZINC000307436428 353076772 /nfs/dbraw/zinc/07/67/72/353076772.db2.gz PBWQQYOFNOTGAW-UJVNDKKSSA-N 1 0 202.323 0.210 10 0 BCAERO C[C@@]1(CN=S(C)(C)=O)COC[C@@H]1[NH3+] ZINC000307292243 353067035 /nfs/dbraw/zinc/06/70/35/353067035.db2.gz BKYHOSLMWZNERV-JGVFFNPUSA-N 1 0 206.311 0.078 10 0 BCAERO CSC(C)(C)[C@@H]([NH3+])c1ncnn1C ZINC000306920091 353044968 /nfs/dbraw/zinc/04/49/68/353044968.db2.gz LNYZNICNJZXDQD-LURJTMIESA-N 1 0 200.311 0.957 10 0 BCAERO COc1ccc([C@H](C[NH3+])CO)cc1OC ZINC000071518170 187960086 /nfs/dbraw/zinc/96/00/86/187960086.db2.gz LLTMJMRLIPCICJ-SECBINFHSA-N 1 0 211.261 0.738 10 0 BCAERO C[C@@H]1CN(C(=O)[C@@H]2CCCOC2)C[C@@H]1C[NH3+] ZINC000638887018 353054147 /nfs/dbraw/zinc/05/41/47/353054147.db2.gz BZIKLVQVGJVUIX-MXWKQRLJSA-N 1 0 226.320 0.466 10 0 BCAERO C[C@@H]1C[C@@H](NC(=O)C(C)(C)[NH3+])CS1 ZINC000307098004 353054502 /nfs/dbraw/zinc/05/45/02/353054502.db2.gz VPGFUHXWPQGVGQ-RNFRBKRXSA-N 1 0 202.323 0.734 10 0 BCAERO Cc1nccc(C(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)n1 ZINC000638893119 353054631 /nfs/dbraw/zinc/05/46/31/353054631.db2.gz QYEPMVQNXSCHSU-PSASIEDQSA-N 1 0 234.303 0.452 10 0 BCAERO C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1C[NH3+] ZINC000638895015 353056110 /nfs/dbraw/zinc/05/61/10/353056110.db2.gz QSJDCYYBXCDVEE-JQWIXIFHSA-N 1 0 239.363 0.381 10 0 BCAERO C[C@H]1CN(C(=O)Cc2cnn(C)c2)C[C@H]1C[NH3+] ZINC000638896165 353056563 /nfs/dbraw/zinc/05/65/63/353056563.db2.gz VWQLODDJVQSZNC-GXSJLCMTSA-N 1 0 236.319 0.016 10 0 BCAERO C[C@@H]1CN(C(=O)c2ccccn2)C[C@H]1C[NH3+] ZINC000638896096 353056700 /nfs/dbraw/zinc/05/67/00/353056700.db2.gz WKLXSWKRCPSRGQ-NXEZZACHSA-N 1 0 219.288 0.748 10 0 BCAERO C[C@H]1CN(C(=O)c2cscn2)C[C@@H]1C[NH3+] ZINC000638896545 353057525 /nfs/dbraw/zinc/05/75/25/353057525.db2.gz ZQICXQOYODMNIF-YUMQZZPRSA-N 1 0 225.317 0.810 10 0 BCAERO CC(C)([NH3+])C(=O)N[C@]1(C)CCCOC1 ZINC000232527133 353106858 /nfs/dbraw/zinc/10/68/58/353106858.db2.gz OSWSMDFORAMELI-SNVBAGLBSA-N 1 0 200.282 0.409 10 0 BCAERO NC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000307716639 353109532 /nfs/dbraw/zinc/10/95/32/353109532.db2.gz KVWCQSGIMABRRA-GDNZZTSVSA-N 1 0 231.299 0.785 10 0 BCAERO Cc1nnc(C[NH2+][C@@H]2CCSC2)n1C ZINC000223018417 353112296 /nfs/dbraw/zinc/11/22/96/353112296.db2.gz FHJGURFZDGHUHQ-MRVPVSSYSA-N 1 0 212.322 0.719 10 0 BCAERO O=C(CC(F)(F)F)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638922080 353079951 /nfs/dbraw/zinc/07/99/51/353079951.db2.gz ZATDRROCNHSYIE-KNVOCYPGSA-N 1 0 222.210 0.902 10 0 BCAERO COC1CN([C@@]2(C[NH3+])CS[C@@H](C)C2)C1 ZINC000307533037 353081157 /nfs/dbraw/zinc/08/11/57/353081157.db2.gz HKUBGJIGODLMTE-WPRPVWTQSA-N 1 0 216.350 0.540 10 0 BCAERO Cc1cc(N)c[nH+]c1NCC(=O)N(C)C ZINC000052812639 187987790 /nfs/dbraw/zinc/98/77/90/187987790.db2.gz XZQJDMLLNSIINS-UHFFFAOYSA-N 1 0 208.265 0.472 10 0 BCAERO CC(C)(O)C[N@@H+]1CC[C@@H](O)C(C)(C)C1 ZINC000307534785 188008340 /nfs/dbraw/zinc/00/83/40/188008340.db2.gz OLJCIVLHNUKWNP-SECBINFHSA-N 1 0 201.310 0.850 10 0 BCAERO CC(C)[C@@H]1CN(c2nncs2)CC[NH2+]1 ZINC000083347090 188008697 /nfs/dbraw/zinc/00/86/97/188008697.db2.gz NYOLSDSVNFHXSZ-QMMMGPOBSA-N 1 0 212.322 0.972 10 0 BCAERO CN(C(=O)C(C)(C)F)[C@@H]1CCC[NH2+]C1 ZINC000307749672 353126800 /nfs/dbraw/zinc/12/68/00/353126800.db2.gz HNTLKOXKSCKZLG-MRVPVSSYSA-N 1 0 202.273 0.945 10 0 BCAERO CC(C)[C@H](C)[NH2+]CCN1CCOCC1 ZINC000019954421 188004150 /nfs/dbraw/zinc/00/41/50/188004150.db2.gz RVJXTCWRARPYGO-NSHDSACASA-N 1 0 200.326 0.953 10 0 BCAERO CC[C@](C)(O)C[NH+]1C[C@H](C)N[C@@H](C)C1 ZINC000229411811 353153222 /nfs/dbraw/zinc/15/32/22/353153222.db2.gz GJPXJBFLSUWGAW-DCAQKATOSA-N 1 0 200.326 0.830 10 0 BCAERO CCC[C@H]([NH3+])C(=O)NCC[NH+]1CCCCC1 ZINC000049575501 353167940 /nfs/dbraw/zinc/16/79/40/353167940.db2.gz WHIKWJQDNGTQEM-NSHDSACASA-N 1 0 227.352 0.716 10 0 BCAERO Cn1nnnc1Sc1ccc(C(N)=[NH2+])cn1 ZINC000019848032 180877230 /nfs/dbraw/zinc/87/72/30/180877230.db2.gz MTOWBHFFZNRJHB-UHFFFAOYSA-N 1 0 235.276 0.040 10 0 BCAERO FC(F)(Br)CN1CC[NH2+]CC1 ZINC000082652796 180877701 /nfs/dbraw/zinc/87/77/01/180877701.db2.gz ZSJSOXDFJPMYGU-UHFFFAOYSA-N 1 0 229.068 0.879 10 0 BCAERO Nc1cc[nH+]cc1C[C@H](O)c1cn[nH]c1 ZINC000309104547 538110480 /nfs/dbraw/zinc/11/04/80/538110480.db2.gz LENNPRJQASNFDW-JTQLQIEISA-N 1 0 204.233 0.663 10 0 BCAERO Cn1ncnc1S[C@@H]1COCC[C@H]1[NH3+] ZINC000128122546 353282389 /nfs/dbraw/zinc/28/23/89/353282389.db2.gz QXSMKLHYCLKQNU-RNFRBKRXSA-N 1 0 214.294 0.023 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N[C@H]1C[C@H](C)C[C@H](C)C1 ZINC000252198237 353297139 /nfs/dbraw/zinc/29/71/39/353297139.db2.gz VVJFOUZZFNLAEB-VPOLOUISSA-N 1 0 228.336 0.901 10 0 BCAERO C([NH2+]C[C@@H]1COCCO1)[C@@H]1CCCO1 ZINC000038061941 188282896 /nfs/dbraw/zinc/28/28/96/188282896.db2.gz YZDPVGVCDFTZLF-VHSXEESVSA-N 1 0 201.266 0.170 10 0 BCAERO CC(C)C[C@H](NC(=O)C[C@H](C)[NH3+])C(=O)N(C)C ZINC000037607677 188286885 /nfs/dbraw/zinc/28/68/85/188286885.db2.gz GKARAZWYXIRGPI-UWVGGRQHSA-N 1 0 243.351 0.343 10 0 BCAERO COCc1cc(=O)[nH]c([C@@H]([NH3+])C(C)C)n1 ZINC000070948172 188286955 /nfs/dbraw/zinc/28/69/55/188286955.db2.gz ASABWQVZHUJGSU-VIFPVBQESA-N 1 0 211.265 0.572 10 0 BCAERO CC(C)[C@H]([NH3+])C(=O)N(C[C@@H]1CCOC1)C1CC1 ZINC000037826347 188288233 /nfs/dbraw/zinc/28/82/33/188288233.db2.gz MSEAHHLACVCQPZ-JQWIXIFHSA-N 1 0 240.347 0.997 10 0 BCAERO C[N@@H+]1CC[C@H](NC(=O)c2cccc(N)c2)C1 ZINC000042543527 188294182 /nfs/dbraw/zinc/29/41/82/188294182.db2.gz SGIVCAMNJZIJHX-NSHDSACASA-N 1 0 219.288 0.703 10 0 BCAERO COc1ccc(CCN2CC[C@@H]([NH3+])C2=O)cc1 ZINC000049647296 188298381 /nfs/dbraw/zinc/29/83/81/188298381.db2.gz OBWXQDYYRIMPLT-GFCCVEGCSA-N 1 0 234.299 0.797 10 0 BCAERO C[N@@H+]1CC[C@H](NC(=O)c2ccccc2N)C1 ZINC000049083049 188298451 /nfs/dbraw/zinc/29/84/51/188298451.db2.gz JBMUANKPFOEIOQ-VIFPVBQESA-N 1 0 219.288 0.703 10 0 BCAERO CNC(=O)CC[NH2+]C[C@](C)(O)c1ccccc1 ZINC000052098572 188299719 /nfs/dbraw/zinc/29/97/19/188299719.db2.gz CKDLHVKMSOVTFF-ZDUSSCGKSA-N 1 0 236.315 0.620 10 0 BCAERO CC(C)N(CCO)C(=O)[C@@H]1CCC[C@H](C[NH3+])C1 ZINC000055147344 188300397 /nfs/dbraw/zinc/30/03/97/188300397.db2.gz DPOQDOQJRRISQF-NWDGAFQWSA-N 1 0 242.363 0.981 10 0 BCAERO CC(=O)Nc1nnc([C@@H]2CCC[NH2+]2)s1 ZINC000058232178 188301756 /nfs/dbraw/zinc/30/17/56/188301756.db2.gz AYMJWMHWTUGDBX-LURJTMIESA-N 1 0 212.278 0.921 10 0 BCAERO CC(C)(C)n1ccnc(O[C@H]2CC[NH2+]C2)c1=O ZINC000061771612 188302766 /nfs/dbraw/zinc/30/27/66/188302766.db2.gz JGEOZPOUXXTVIA-VIFPVBQESA-N 1 0 237.303 0.739 10 0 BCAERO C[C@@H]1CN[C@H](C(=O)N(C)C2CCCCC2)C[NH2+]1 ZINC000062813968 188303539 /nfs/dbraw/zinc/30/35/39/188303539.db2.gz QAWQMJFCTXKAJR-PWSUYJOCSA-N 1 0 239.363 0.727 10 0 BCAERO CNc1ncnc2c1cnn2CC[NH+](C)C ZINC000062367049 188303746 /nfs/dbraw/zinc/30/37/46/188303746.db2.gz DFFPDQBBAFICDY-UHFFFAOYSA-N 1 0 220.280 0.430 10 0 BCAERO CC(=O)N1CCN([C@@H]2CCC[C@H]2[NH3+])CC1 ZINC000040431164 188304318 /nfs/dbraw/zinc/30/43/18/188304318.db2.gz VNGJHYIAWREFJZ-GHMZBOCLSA-N 1 0 211.309 0.030 10 0 BCAERO COCc1cc(=O)[nH]c(N[C@H]2CCC[NH2+]C2)n1 ZINC000057329849 188259296 /nfs/dbraw/zinc/25/92/96/188259296.db2.gz XVFSVJYZIVBAOO-QMMMGPOBSA-N 1 0 238.291 0.080 10 0 BCAERO CC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)O)C1 ZINC000189961612 353335497 /nfs/dbraw/zinc/33/54/97/353335497.db2.gz VVNZHERICOLGOK-VIFPVBQESA-N 1 0 214.309 0.358 10 0 BCAERO C[C@H]1CN(CC(C)(C)C[NH3+])S(=O)(=O)C1 ZINC000129232226 353315309 /nfs/dbraw/zinc/31/53/09/353315309.db2.gz GFBFUTZQDAXYQG-QMMMGPOBSA-N 1 0 220.338 0.253 10 0 BCAERO C[NH2+]Cc1cccc(CS(N)(=O)=O)c1 ZINC000084175942 188316610 /nfs/dbraw/zinc/31/66/10/188316610.db2.gz OEFWPPDFJJAWLM-UHFFFAOYSA-N 1 0 214.290 0.195 10 0 BCAERO CC(C)N1C(=O)N[C@@](C)([C@@H]2CCC[NH2+]C2)C1=O ZINC000088611687 188317579 /nfs/dbraw/zinc/31/75/79/188317579.db2.gz CZBOIKUXBZPHCD-SKDRFNHKSA-N 1 0 239.319 0.705 10 0 BCAERO CSc1nccc(O[C@@H]2CC[NH2+]C2)n1 ZINC000095071867 188318625 /nfs/dbraw/zinc/31/86/25/188318625.db2.gz OJXRRUJSHUWKRW-SSDOTTSWSA-N 1 0 211.290 0.939 10 0 BCAERO C[C@H]([NH3+])C(=O)Nc1ccc(Cl)nn1 ZINC000160167699 353361379 /nfs/dbraw/zinc/36/13/79/353361379.db2.gz FVCAGMPKMOXXFZ-BYPYZUCNSA-N 1 0 200.629 0.416 10 0 BCAERO CC(C)C[C@H]([NH3+])CN1CCS(=O)CC1 ZINC000049692945 188327140 /nfs/dbraw/zinc/32/71/40/188327140.db2.gz FPHKDDKIIUISPL-JTQLQIEISA-N 1 0 218.366 0.424 10 0 BCAERO CCn1ncnc1C[NH2+][C@@H]1CCCC[C@H]1CO ZINC000226389926 538115942 /nfs/dbraw/zinc/11/59/42/538115942.db2.gz WPHGTJGHGZPQKS-WDEREUQCSA-N 1 0 238.335 0.939 10 0 BCAERO Cc1cccc(C[C@@H]([NH3+])CS(C)(=O)=O)c1 ZINC000052788790 188333604 /nfs/dbraw/zinc/33/36/04/188333604.db2.gz CGQTZSPRLABWJD-LLVKDONJSA-N 1 0 227.329 0.909 10 0 BCAERO CC(C)[C@@H]1C[NH2+]CCN1c1cnns1 ZINC000083347108 188355429 /nfs/dbraw/zinc/35/54/29/188355429.db2.gz POOTYLITYPJCDG-QMMMGPOBSA-N 1 0 212.322 0.972 10 0 BCAERO C[NH+](C)CCOC[C@H](O)c1cccnc1 ZINC000033898901 188359346 /nfs/dbraw/zinc/35/93/46/188359346.db2.gz DEYGEBCTGSXSRY-NSHDSACASA-N 1 0 210.277 0.693 10 0 BCAERO CO[C@@H]1CN(C(=O)[C@@H]2CC[C@@H]([NH3+])C2)CC[C@@H]1C ZINC000230242596 353481068 /nfs/dbraw/zinc/48/10/68/353481068.db2.gz ZDQXZTZSYBMWDJ-IRCOFANPSA-N 1 0 240.347 0.997 10 0 BCAERO CN(Cc1ncnn1C)[C@@H]1CCC[NH2+]CC1 ZINC000231669802 353642343 /nfs/dbraw/zinc/64/23/43/353642343.db2.gz CDKJHIFNJNXTCB-SNVBAGLBSA-N 1 0 223.324 0.389 10 0 BCAERO CC1(C)[C@H]([NH3+])C12CCS(=O)(=O)CC2 ZINC000300976429 363245422 /nfs/dbraw/zinc/24/54/22/363245422.db2.gz JWEBMOREKANYNU-ZETCQYMHSA-N 1 0 203.307 0.549 10 0 BCAERO C[C@H](O)C1CCN(C(=O)c2c[nH+]ccc2N)CC1 ZINC000232227162 353702808 /nfs/dbraw/zinc/70/28/08/353702808.db2.gz UBAIOBDFLBLKRP-VIFPVBQESA-N 1 0 249.314 0.897 10 0 BCAERO COC(=O)CCN1CC[NH2+]CC1(C)C ZINC000083842619 353721887 /nfs/dbraw/zinc/72/18/87/353721887.db2.gz KWOZXABHSRKTTL-UHFFFAOYSA-N 1 0 200.282 0.233 10 0 BCAERO COC[C@H]([NH3+])C(=O)NC1C[C@H](C)C[C@@H](C)C1 ZINC000220182331 353820339 /nfs/dbraw/zinc/82/03/39/353820339.db2.gz VVJFOUZZFNLAEB-KKZNHRDASA-N 1 0 228.336 0.901 10 0 BCAERO O=C1N[C@H]2C[NH2+]CC[C@@H]2N1C1CCCC1 ZINC000606303058 353858448 /nfs/dbraw/zinc/85/84/48/353858448.db2.gz FHBVAGJNGYCSEU-UWVGGRQHSA-N 1 0 209.293 0.685 10 0 BCAERO CC[C@H]([NH3+])C(=O)N[C@@H]1CCOC[C@H]1C ZINC000300993816 363269812 /nfs/dbraw/zinc/26/98/12/363269812.db2.gz JRGUMXJTUCGUEJ-HRDYMLBCSA-N 1 0 200.282 0.265 10 0 BCAERO CO[C@@H]1C[C@H](CO)[N@H+](C[C@@H]2CCCOC2)C1 ZINC000343997081 354065182 /nfs/dbraw/zinc/06/51/82/354065182.db2.gz ZXWZKVCBQSQMIY-QJPTWQEYSA-N 1 0 229.320 0.495 10 0 BCAERO [NH3+][C@H]1CS(=O)(=O)C[C@H]1c1ccccc1 ZINC000004226949 354335847 /nfs/dbraw/zinc/33/58/47/354335847.db2.gz VQAFTUFHYRBINW-UWVGGRQHSA-N 1 0 211.286 0.526 10 0 BCAERO COCCCCC[N@@H+]1C[C@H](O)C[C@@H]1CO ZINC000179180729 366219642 /nfs/dbraw/zinc/21/96/42/366219642.db2.gz FCDSXMDOAGZEMK-GHMZBOCLSA-N 1 0 217.309 0.231 10 0 BCAERO C/C(=C/Cl)CN1CC[NH2+]C[C@@H](O)C1 ZINC000308204945 354872417 /nfs/dbraw/zinc/87/24/17/354872417.db2.gz SELKYXXDOSXQRG-USYJTPIQSA-N 1 0 204.701 0.395 10 0 BCAERO CN([C@H]1CCOC1)[C@@]1(C[NH3+])CCSC1 ZINC000226489000 363430366 /nfs/dbraw/zinc/43/03/66/363430366.db2.gz LIVPOPRVZADZAF-VHSXEESVSA-N 1 0 216.350 0.542 10 0 BCAERO c1ccc(CCN2CCO[C@@H]3C[NH2+]C[C@@H]32)cc1 ZINC000335174145 354940402 /nfs/dbraw/zinc/94/04/02/354940402.db2.gz ARISOJMXVQUFAQ-UONOGXRCSA-N 1 0 232.327 0.902 10 0 BCAERO CN([C@@H]1CCCC[C@H]1C[NH3+])S(C)(=O)=O ZINC000252679000 366236377 /nfs/dbraw/zinc/23/63/77/366236377.db2.gz WMGOANPMYQNXQW-DTWKUNHWSA-N 1 0 220.338 0.395 10 0 BCAERO OC1CC(C[NH2+]Cc2cnc3n2CCC3)C1 ZINC000623748877 355274901 /nfs/dbraw/zinc/27/49/01/355274901.db2.gz LKYRBSDTBRUDEF-UHFFFAOYSA-N 1 0 221.304 0.690 10 0 BCAERO Cc1ncc(C(=O)N2C[C@H](C)[C@H]([NH3+])C2)s1 ZINC000235677428 363449493 /nfs/dbraw/zinc/44/94/93/363449493.db2.gz OKOJBXGWITUTLQ-POYBYMJQSA-N 1 0 225.317 0.871 10 0 BCAERO C[C@@H]1CN(C(=O)[C@@H]2CC23CCOCC3)C[C@@H]1[NH3+] ZINC000583499210 355332268 /nfs/dbraw/zinc/33/22/68/355332268.db2.gz WICKRKAKMPCGOV-VWYCJHECSA-N 1 0 238.331 0.609 10 0 BCAERO NC(=[NH2+])CCn1cc(Br)cn1 ZINC000038054401 181186345 /nfs/dbraw/zinc/18/63/45/181186345.db2.gz PSBPGONMPNWQDV-UHFFFAOYSA-N 1 0 217.070 0.972 10 0 BCAERO COC[C@@H]([NH3+])C(=O)Nc1cc(C)cc(C)c1O ZINC000160021323 355356978 /nfs/dbraw/zinc/35/69/78/355356978.db2.gz UGKYYFZHDGMLDB-SECBINFHSA-N 1 0 238.287 0.921 10 0 BCAERO NC(=[NH2+])c1c(F)cccc1SC[C@@H](O)CO ZINC000062714616 181192835 /nfs/dbraw/zinc/19/28/35/181192835.db2.gz RVVMLMKIMXYUEG-LURJTMIESA-N 1 0 244.291 0.555 10 0 BCAERO NC(=[NH2+])c1ccc(SC[C@H](O)CO)c(F)c1 ZINC000062566079 181195490 /nfs/dbraw/zinc/19/54/90/181195490.db2.gz QFUSWDFBRIEHAT-SSDOTTSWSA-N 1 0 244.291 0.555 10 0 BCAERO NC(=[NH2+])c1ccccc1SC[C@H](O)CO ZINC000062566055 181196637 /nfs/dbraw/zinc/19/66/37/181196637.db2.gz UDSLPSQOONXAFG-SSDOTTSWSA-N 1 0 226.301 0.416 10 0 BCAERO C[NH2+][C@H](C)C(=O)NC[C@@H]1CCO[C@H](C)C1 ZINC000389040307 355527480 /nfs/dbraw/zinc/52/74/80/355527480.db2.gz QMXAQKKPXMMZPR-OPRDCNLKSA-N 1 0 214.309 0.526 10 0 BCAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)NC[C@@H]1CCCO1 ZINC000416440489 191745397 /nfs/dbraw/zinc/74/53/97/191745397.db2.gz SORSHASHRVFXIS-KXUCPTDWSA-N 1 0 227.308 0.297 10 0 BCAERO O=C(NCC(F)(F)F)N[C@H]1CC[NH2+]C1 ZINC000166519734 355667251 /nfs/dbraw/zinc/66/72/51/355667251.db2.gz XFEOPYRUSKCHHH-YFKPBYRVSA-N 1 0 211.187 0.210 10 0 BCAERO C[C@H]([NH3+])c1ccc(NC(=O)[C@H]2CNC(=O)C2)cc1 ZINC000335890330 355681955 /nfs/dbraw/zinc/68/19/55/355681955.db2.gz ZZSIEDZXBHPRQL-WCBMZHEXSA-N 1 0 247.298 0.781 10 0 BCAERO CN1C[C@H](C[NH2+]Cc2ccc(CO)cc2)CC1=O ZINC000639321532 355723080 /nfs/dbraw/zinc/72/30/80/355723080.db2.gz OMDPBHZTOWRBKS-ZDUSSCGKSA-N 1 0 248.326 0.747 10 0 BCAERO CCN1CC[C@@H]([NH2+][C@@H](C)CS(=O)(=O)CC)C1 ZINC000389169357 355755261 /nfs/dbraw/zinc/75/52/61/355755261.db2.gz NITDTTDPELAGIA-WDEREUQCSA-N 1 0 248.392 0.493 10 0 BCAERO C[C@@H]1CC/C(=C\CS(C)(=O)=O)C[NH2+]1 ZINC000399143259 355768579 /nfs/dbraw/zinc/76/85/79/355768579.db2.gz VQQLMSFNKUEAQU-CBVZUMJXSA-N 1 0 203.307 0.729 10 0 BCAERO Cc1cc(C[NH2+][C@@H]2CCOC[C@@H]2O)sn1 ZINC000639353659 355803025 /nfs/dbraw/zinc/80/30/25/355803025.db2.gz ABHRHICHKBPCTP-ZJUUUORDSA-N 1 0 228.317 0.691 10 0 BCAERO C[C@@H]1CN(CC(C)(C)[NH3+])S(=O)(=O)C1 ZINC000168417231 355803321 /nfs/dbraw/zinc/80/33/21/355803321.db2.gz PUQXAOBNYTWSDD-SSDOTTSWSA-N 1 0 206.311 0.005 10 0 BCAERO C[C@H](O)C[NH2+]CC(=O)NCc1ccccc1 ZINC000035101848 355807482 /nfs/dbraw/zinc/80/74/82/355807482.db2.gz CPVOTOFEZGKHJI-JTQLQIEISA-N 1 0 222.288 0.273 10 0 BCAERO CSC[C@@H](C)NC(=O)C1(C[NH3+])CCOCC1 ZINC000127648952 191841174 /nfs/dbraw/zinc/84/11/74/191841174.db2.gz PVKSUOWXNNQZSW-SECBINFHSA-N 1 0 246.376 0.610 10 0 BCAERO NC(=O)C1CCC([NH2+][C@@H]2CCCNC2)CC1 ZINC000043326958 181216692 /nfs/dbraw/zinc/21/66/92/181216692.db2.gz NIRHPEBHLSWQQG-VQXHTEKXSA-N 1 0 225.336 0.372 10 0 BCAERO NC(=O)C1([NH2+]C2CCCCC2)CCOCC1 ZINC000037969903 181214616 /nfs/dbraw/zinc/21/46/16/181214616.db2.gz VJFISBYRRRDZJU-UHFFFAOYSA-N 1 0 226.320 0.943 10 0 BCAERO NC(=O)C1CCC([NH2+]Cc2cncnc2)CC1 ZINC000054767839 181216618 /nfs/dbraw/zinc/21/66/18/181216618.db2.gz HOOWXTXVYJYDEJ-UHFFFAOYSA-N 1 0 234.303 0.610 10 0 BCAERO NC(=O)C1CCN([C@@H]2CCC[C@H]2[NH3+])CC1 ZINC000040431147 181218104 /nfs/dbraw/zinc/21/81/04/181218104.db2.gz MHPQGWMFHPHOEA-NXEZZACHSA-N 1 0 211.309 0.064 10 0 BCAERO CC[N@@H+]1CC[C@@H](Nc2ccc3nccnc3n2)C1 ZINC000389331758 355973880 /nfs/dbraw/zinc/97/38/80/355973880.db2.gz HVKMNKCFPKGKIM-SNVBAGLBSA-N 1 0 243.314 0.904 10 0 BCAERO NC(=O)CCN1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000051360131 181224197 /nfs/dbraw/zinc/22/41/97/181224197.db2.gz OMDUHKJXQWONHA-UWVGGRQHSA-N 1 0 211.309 0.078 10 0 BCAERO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)Cc3cc[nH]n3)C[C@H]12 ZINC000351165833 355957221 /nfs/dbraw/zinc/95/72/21/355957221.db2.gz LTVQQEDXEYMDGZ-DVVUODLYSA-N 1 0 234.303 0.148 10 0 BCAERO NC(=O)CCC[NH2+]C[C@H](O)c1ccccc1F ZINC000037894487 181222597 /nfs/dbraw/zinc/22/25/97/181222597.db2.gz FTVLJDNGYZYHAG-NSHDSACASA-N 1 0 240.278 0.714 10 0 BCAERO NC(=O)CCN1CC[NH2+]Cc2ccccc21 ZINC000062818926 181223661 /nfs/dbraw/zinc/22/36/61/181223661.db2.gz UHCVBNNWWFFRJR-UHFFFAOYSA-N 1 0 219.288 0.472 10 0 BCAERO NC(=O)CNCc1cc(F)ccc1F ZINC000037228213 181235028 /nfs/dbraw/zinc/23/50/28/181235028.db2.gz UOODKJDWAAIUJM-UHFFFAOYSA-N 1 0 200.188 0.540 10 0 BCAERO NC(=O)C[NH2+][C@H]1CCN(CCc2ccccc2)C1 ZINC000040671054 181237218 /nfs/dbraw/zinc/23/72/18/181237218.db2.gz PDOWLYQFJZQKTD-ZDUSSCGKSA-N 1 0 247.342 0.378 10 0 BCAERO NC(=O)N1CCC([NH2+]C[C@@H]2CCCOC2)CC1 ZINC000038045061 181250192 /nfs/dbraw/zinc/25/01/92/181250192.db2.gz LVWAAJLRZSLWMK-JTQLQIEISA-N 1 0 241.335 0.546 10 0 BCAERO NC(=O)C[C@@H]([NH3+])c1cccc(F)c1F ZINC000044250906 181242312 /nfs/dbraw/zinc/24/23/12/181242312.db2.gz GLGKDSRQDSCOBH-SSDOTTSWSA-N 1 0 200.188 0.840 10 0 BCAERO NC(=O)C[C@H]([NH3+])c1ccc(F)c(F)c1 ZINC000020578208 181245057 /nfs/dbraw/zinc/24/50/57/181245057.db2.gz ZVIKSPVBVACRDT-QMMMGPOBSA-N 1 0 200.188 0.840 10 0 BCAERO NC(=O)N1CCC([NH2+]Cc2cn[nH]c2)CC1 ZINC000038006366 181250964 /nfs/dbraw/zinc/25/09/64/181250964.db2.gz GYQMHKPEFLEKAK-UHFFFAOYSA-N 1 0 223.280 0.042 10 0 BCAERO NC(=O)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000037269657 181251128 /nfs/dbraw/zinc/25/11/28/181251128.db2.gz JVUSYGXZSVGHDE-UHFFFAOYSA-N 1 0 227.308 0.298 10 0 BCAERO NC(=O)NC(=O)C[NH2+]Cc1cccs1 ZINC000037467051 181254895 /nfs/dbraw/zinc/25/48/95/181254895.db2.gz IORDYSYVYZKDDP-UHFFFAOYSA-N 1 0 213.262 0.033 10 0 BCAERO NC(=O)NC(=O)C[NH2+]CCc1cccs1 ZINC000020052946 181254936 /nfs/dbraw/zinc/25/49/36/181254936.db2.gz RLKOZWDZGDZAJP-UHFFFAOYSA-N 1 0 227.289 0.075 10 0 BCAERO O[C@@H]1C[NH2+]C[C@@H]1CNc1cnc2ccccc2n1 ZINC000420259571 192190137 /nfs/dbraw/zinc/19/01/37/192190137.db2.gz ZBKPYNOFOIRKSW-BXKDBHETSA-N 1 0 244.298 0.622 10 0 BCAERO NC(=O)[C@@H]([NH3+])Cc1cccc(Br)c1 ZINC000039307596 181265071 /nfs/dbraw/zinc/26/50/71/181265071.db2.gz HSKXUUCZRHYWRR-QMMMGPOBSA-N 1 0 243.104 0.804 10 0 BCAERO CCOC(=O)c1cccnc1NC1C[NH2+]C1 ZINC000085256563 356299830 /nfs/dbraw/zinc/29/98/30/356299830.db2.gz HXLXELJFLUOLOX-UHFFFAOYSA-N 1 0 221.260 0.642 10 0 BCAERO NC(=O)[C@@H]([NH2+]Cc1ccccc1)[C@@H]1CCOC1 ZINC000037941256 181264718 /nfs/dbraw/zinc/26/47/18/181264718.db2.gz GTMMIFJJAPNXJQ-NEPJUHHUSA-N 1 0 234.299 0.667 10 0 BCAERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1nnn(C)n1 ZINC000194439550 356400183 /nfs/dbraw/zinc/40/01/83/356400183.db2.gz HSPCRAQSSZBJBL-SNVBAGLBSA-N 1 0 238.339 0.126 10 0 BCAERO C[C@H](CO)CN1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000228199889 491091435 /nfs/dbraw/zinc/09/14/35/491091435.db2.gz ISEGXLLSGBALLO-SRVKXCTJSA-N 1 0 212.337 0.783 10 0 BCAERO c1ccc(OCCN2CCO[C@@H]3C[NH2+]C[C@@H]32)cc1 ZINC000420406452 192239545 /nfs/dbraw/zinc/23/95/45/192239545.db2.gz RHKDIOJOXUZOKY-UONOGXRCSA-N 1 0 248.326 0.738 10 0 BCAERO CC(C)n1nnnc1CN1C[C@H](C)[NH2+]C[C@H]1C ZINC000420408846 192239680 /nfs/dbraw/zinc/23/96/80/192239680.db2.gz WJBBZARAFINMDQ-VHSXEESVSA-N 1 0 238.339 0.436 10 0 BCAERO NC(=O)[C@@H]1Cc2c([nH]c3ccccc32)C[NH2+]1 ZINC000038221297 181273720 /nfs/dbraw/zinc/27/37/20/181273720.db2.gz SWRKTKBVJYIDTG-JTQLQIEISA-N 1 0 215.256 0.668 10 0 BCAERO C[C@@](C[NH3+])(C1CC1)N1CCCS1(=O)=O ZINC000168597314 356450596 /nfs/dbraw/zinc/45/05/96/356450596.db2.gz DXXCYVVVIFWPIS-SECBINFHSA-N 1 0 218.322 0.149 10 0 BCAERO NC(=O)[C@H]([NH3+])CCn1cnc2ccccc21 ZINC000062535367 181277042 /nfs/dbraw/zinc/27/70/42/181277042.db2.gz VHULFEVTJPQXFV-MRVPVSSYSA-N 1 0 218.260 0.239 10 0 BCAERO NC(=O)[C@H]([C@@H]1CC=CCC1)N1CC[NH2+]CC1 ZINC000037945760 181278637 /nfs/dbraw/zinc/27/86/37/181278637.db2.gz ZIHMFSPFFZYLAO-MNOVXSKESA-N 1 0 223.320 0.102 10 0 BCAERO [NH3+]CCC(=O)[C@H]1CCO[C@@]2(CCOC2)C1 ZINC000167898488 356468471 /nfs/dbraw/zinc/46/84/71/356468471.db2.gz HAWDMJWGWDKQRW-ONGXEEELSA-N 1 0 213.277 0.490 10 0 BCAERO NC(=O)[C@H]([NH2+]C1CCCC1)[C@@H]1CCOC1 ZINC000037968801 181277884 /nfs/dbraw/zinc/27/78/84/181277884.db2.gz YCMFONFEJNKTMS-PSASIEDQSA-N 1 0 212.293 0.409 10 0 BCAERO NC(=O)[C@H]([NH2+]Cc1ccccc1)[C@@H]1CCOC1 ZINC000037941257 181278240 /nfs/dbraw/zinc/27/82/40/181278240.db2.gz GTMMIFJJAPNXJQ-VXGBXAGGSA-N 1 0 234.299 0.667 10 0 BCAERO CN1CCC[C@@H]1C[N@H+](C)CC1(O)CCC1 ZINC000420996580 192293572 /nfs/dbraw/zinc/29/35/72/192293572.db2.gz FVCJMGFFEIQHNK-LLVKDONJSA-N 1 0 212.337 0.927 10 0 BCAERO CN1CCC[C@H]1C[N@H+](C)CC1(O)CCC1 ZINC000420996581 192293666 /nfs/dbraw/zinc/29/36/66/192293666.db2.gz FVCJMGFFEIQHNK-NSHDSACASA-N 1 0 212.337 0.927 10 0 BCAERO CC(C)[C@H](C)C(=O)NC[C@]1(C)C[NH2+]CCO1 ZINC000675058898 538482287 /nfs/dbraw/zinc/48/22/87/538482287.db2.gz BIKZZMUMAOSMQA-JQWIXIFHSA-N 1 0 228.336 0.773 10 0 BCAERO CCC[C@]1(C[NH3+])CN(C(=O)CCOC)CCO1 ZINC000675059295 538482943 /nfs/dbraw/zinc/48/29/43/538482943.db2.gz NCZNKNGEUIAMBP-LBPRGKRZSA-N 1 0 244.335 0.379 10 0 BCAERO CC(C)NC(=O)N1CCO[C@](C)(C[NH3+])C1 ZINC000675058951 538483011 /nfs/dbraw/zinc/48/30/11/538483011.db2.gz DMYUHVJJKCIIRO-SNVBAGLBSA-N 1 0 215.297 0.154 10 0 BCAERO CC(C)NC(=O)N1CCO[C@@](C)(C[NH3+])C1 ZINC000675058950 538483240 /nfs/dbraw/zinc/48/32/40/538483240.db2.gz DMYUHVJJKCIIRO-JTQLQIEISA-N 1 0 215.297 0.154 10 0 BCAERO CCCC(=O)NC[C@@]1(CC)C[NH2+]CCO1 ZINC000675059065 538483304 /nfs/dbraw/zinc/48/33/04/538483304.db2.gz JBGKDILWZIPUIG-LLVKDONJSA-N 1 0 214.309 0.671 10 0 BCAERO CNS(=O)(=O)CC[C@H]([NH3+])C1CCCC1 ZINC000675051093 538473591 /nfs/dbraw/zinc/47/35/91/538473591.db2.gz KTMKONFMIHYDGE-VIFPVBQESA-N 1 0 220.338 0.443 10 0 BCAERO COCC[NH2+]CC[C@@H](N)C(F)(F)F ZINC000675051259 538474042 /nfs/dbraw/zinc/47/40/42/538474042.db2.gz ODLRAVBXTPCFPS-ZCFIWIBFSA-N 1 0 200.204 0.502 10 0 BCAERO CCCNC(=O)NC[C@]1(CC)C[NH2+]CCO1 ZINC000675059338 538483625 /nfs/dbraw/zinc/48/36/25/538483625.db2.gz OLSVISWEIJXSSF-NSHDSACASA-N 1 0 229.324 0.464 10 0 BCAERO COCC(=O)NC[C@]12C[C@H](C[NH2+]1)CCC2 ZINC000675051368 538474509 /nfs/dbraw/zinc/47/45/09/538474509.db2.gz IIGFJRHSFGEVDM-KOLCDFICSA-N 1 0 212.293 0.281 10 0 BCAERO CCNC(=O)N1CC(OC2CC[NH2+]CC2)C1 ZINC000675055440 538475573 /nfs/dbraw/zinc/47/55/73/538475573.db2.gz TUCANWGNJPYMAX-UHFFFAOYSA-N 1 0 227.308 0.169 10 0 BCAERO COCCC(=O)N1CCC(OC2C[NH2+]C2)CC1 ZINC000675055549 538475576 /nfs/dbraw/zinc/47/55/76/538475576.db2.gz VZWUTFIYOMYKNA-UHFFFAOYSA-N 1 0 242.319 0.002 10 0 BCAERO O=C(C1CC1)N1CC(OC2CC[NH2+]CC2)C1 ZINC000675055556 538475723 /nfs/dbraw/zinc/47/57/23/538475723.db2.gz WICVSLLGDBZGGW-UHFFFAOYSA-N 1 0 224.304 0.376 10 0 BCAERO CCCCNC(=O)NC[C@@]1(CC)C[NH2+]CCO1 ZINC000675059129 538483675 /nfs/dbraw/zinc/48/36/75/538483675.db2.gz KXQGQUNBVOTGQS-GFCCVEGCSA-N 1 0 243.351 0.854 10 0 BCAERO CC(C)S(=O)(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000675056428 538478438 /nfs/dbraw/zinc/47/84/38/538478438.db2.gz KACRLKMYMHJOJG-VHSXEESVSA-N 1 0 232.349 0.408 10 0 BCAERO COCCC(=O)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC000675056597 538478952 /nfs/dbraw/zinc/47/89/52/538478952.db2.gz SYNMIKNYWDFBQL-ZYHUDNBSSA-N 1 0 226.320 0.671 10 0 BCAERO CC(C)NS(=O)(=O)C[C@@H]1C[NH2+]C[C@H]1C ZINC000675056523 538478986 /nfs/dbraw/zinc/47/89/86/538478986.db2.gz MCDKPGWOYQVVJQ-BDAKNGLRSA-N 1 0 220.338 0.170 10 0 BCAERO CC[C@]1(CNC(=O)CC2CC2)C[NH2+]CCO1 ZINC000675059751 538485168 /nfs/dbraw/zinc/48/51/68/538485168.db2.gz WGSMBUWMDXCTQX-GFCCVEGCSA-N 1 0 226.320 0.671 10 0 BCAERO CCC[C@]1(CNC(=O)NCC)C[NH2+]CCO1 ZINC000675059897 538485450 /nfs/dbraw/zinc/48/54/50/538485450.db2.gz XKFGNASMTUHYOD-LLVKDONJSA-N 1 0 229.324 0.464 10 0 BCAERO [NH3+]C[C@@H]1C[C@@H]2C[C@@H](NS(=O)(=O)C3CC3)[C@H]2C1 ZINC000675068490 538497000 /nfs/dbraw/zinc/49/70/00/538497000.db2.gz APLJKJHZGXBIEW-DEKFOEGESA-N 1 0 244.360 0.442 10 0 BCAERO CC[C@@](C)(O)C[NH+]1CCC(OCCO)CC1 ZINC000168049005 134155684 /nfs/dbraw/zinc/15/56/84/134155684.db2.gz HFBGCTIWEJXQAA-GFCCVEGCSA-N 1 0 231.336 0.621 10 0 BCAERO CC(C)c1nn(C)cc1[C@H]1C[NH2+]CCN1 ZINC000675069994 538500206 /nfs/dbraw/zinc/50/02/06/538500206.db2.gz KJASCMYAJQRXHC-SNVBAGLBSA-N 1 0 208.309 0.777 10 0 BCAERO C[NH+](C)CC(=O)N[C@@H]1C[C@@H]2C[C@H](CO)C[C@@H]12 ZINC000675070310 538500727 /nfs/dbraw/zinc/50/07/27/538500727.db2.gz ODKQDCAPBYQSSK-UKKRHICBSA-N 1 0 226.320 0.071 10 0 BCAERO COCC(=O)N[C@@H]1C[C@@H]2C[C@@H](C[NH3+])C[C@@H]12 ZINC000675070701 538500831 /nfs/dbraw/zinc/50/08/31/538500831.db2.gz RZYXRWVCSHKZET-UTINFBMNSA-N 1 0 212.293 0.122 10 0 BCAERO CCCS(=O)(=O)N[C@@H]1C[C@@H]2C[C@@H](C[NH3+])C[C@@H]12 ZINC000675071029 538501690 /nfs/dbraw/zinc/50/16/90/538501690.db2.gz VSKSIEMWSALIPN-LMLFDSFASA-N 1 0 246.376 0.689 10 0 BCAERO CCS(=O)(=O)N1CCC[C@H]2C[C@]21C[NH3+] ZINC000675071256 538502627 /nfs/dbraw/zinc/50/26/27/538502627.db2.gz ZGAFYZVAERBTOD-IUCAKERBSA-N 1 0 218.322 0.149 10 0 BCAERO COc1ccc(C2=C[C@H](O)C[NH2+]C2)cn1 ZINC000675076309 538511525 /nfs/dbraw/zinc/51/15/25/538511525.db2.gz AXFCZFZGPRXPSH-JTQLQIEISA-N 1 0 206.245 0.438 10 0 BCAERO CCC[C@H](C)C(=O)NC1(C(=O)OC)CC([NH3+])C1 ZINC000675073262 538504980 /nfs/dbraw/zinc/50/49/80/538504980.db2.gz IEIZTJGLDBWHPW-QTZUAFFRSA-N 1 0 242.319 0.572 10 0 BCAERO CCS(=O)(=O)NC[C@@H]1C[C@@H]2C[C@H]([NH3+])[C@@H]2C1 ZINC000675073696 538506070 /nfs/dbraw/zinc/50/60/70/538506070.db2.gz SWJKJUGIWMIJGY-KYXWUPHJSA-N 1 0 232.349 0.299 10 0 BCAERO COc1ncccc1[C@H]1CC[NH2+]C[C@H]1N ZINC000675073668 538506309 /nfs/dbraw/zinc/50/63/09/538506309.db2.gz SMOUNVKYEOYOGU-PSASIEDQSA-N 1 0 207.277 0.494 10 0 BCAERO COc1ncccc1[C@H]1CC[NH2+]C[C@@H]1N ZINC000675073669 538506631 /nfs/dbraw/zinc/50/66/31/538506631.db2.gz SMOUNVKYEOYOGU-SCZZXKLOSA-N 1 0 207.277 0.494 10 0 BCAERO COCCNC(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000675075074 538508061 /nfs/dbraw/zinc/50/80/61/538508061.db2.gz GGEWGRJVUYMNSW-BDAKNGLRSA-N 1 0 215.297 0.059 10 0 BCAERO Cc1nn(C)cc1C[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000167857902 134154432 /nfs/dbraw/zinc/15/44/32/134154432.db2.gz NRAPXLHRKDEIRC-PWSUYJOCSA-N 1 0 222.336 0.946 10 0 BCAERO CC[C@@H](NC[C@H]1C[NH2+]CC12CC2)C(=O)OC ZINC000675076116 538510735 /nfs/dbraw/zinc/51/07/35/538510735.db2.gz YZAKTRQKEAXSES-NXEZZACHSA-N 1 0 226.320 0.527 10 0 BCAERO N[C@H]1C=C(Cc2ccc(O)cc2)C[NH2+]C1 ZINC000675077432 538513356 /nfs/dbraw/zinc/51/33/56/538513356.db2.gz FAIUYKJYCRQIKE-NSHDSACASA-N 1 0 204.273 0.792 10 0 BCAERO Cc1cc(CC2=C[C@H](O)C[NH2+]C2)nn1C ZINC000675077571 538513575 /nfs/dbraw/zinc/51/35/75/538513575.db2.gz OKDNXYXJMVIAGM-NSHDSACASA-N 1 0 207.277 0.162 10 0 BCAERO Cc1c(CC2=C[C@H](O)C[NH2+]C2)cnn1C ZINC000675077414 538513768 /nfs/dbraw/zinc/51/37/68/538513768.db2.gz MITWIQLLEJVNLD-NSHDSACASA-N 1 0 207.277 0.162 10 0 BCAERO Nc1cc(CC2=C[C@H](N)C[NH2+]C2)ccn1 ZINC000675077613 538514211 /nfs/dbraw/zinc/51/42/11/538514211.db2.gz OXVQHDFLCCLYFL-JTQLQIEISA-N 1 0 204.277 0.063 10 0 BCAERO COc1cncc(C2=C[C@@H]([NH3+])CNC2)c1 ZINC000675078441 538514986 /nfs/dbraw/zinc/51/49/86/538514986.db2.gz PQMJMTSUUBTQDR-SNVBAGLBSA-N 1 0 205.261 0.404 10 0 BCAERO Cc1nnc(CC2=C[C@H](O)C[NH2+]C2)s1 ZINC000675078292 538515202 /nfs/dbraw/zinc/51/52/02/538515202.db2.gz WURFQGOYEHBUIX-QMMMGPOBSA-N 1 0 211.290 0.280 10 0 BCAERO CCn1ncc(Cl)c1C1=C[C@@H](O)C[NH2+]C1 ZINC000675078549 538516042 /nfs/dbraw/zinc/51/60/42/538516042.db2.gz ZBNBYAXCFNGKKW-MRVPVSSYSA-N 1 0 227.695 0.904 10 0 BCAERO CC1=C(C)C[C@H](S(N)(=O)=O)[C@@H](C[NH+](C)C)C1 ZINC000675078938 538517171 /nfs/dbraw/zinc/51/71/71/538517171.db2.gz NUMIJELLLBMNNB-MNOVXSKESA-N 1 0 246.376 0.952 10 0 BCAERO Cn1ncc(Cl)c1C1=C[C@@H]([NH3+])CNC1 ZINC000675079103 538517667 /nfs/dbraw/zinc/51/76/67/538517667.db2.gz WIKDTKYXYRXIFV-SSDOTTSWSA-N 1 0 212.684 0.387 10 0 BCAERO CSCCCNC(=O)C1(C[NH3+])CCOCC1 ZINC000168260728 134161199 /nfs/dbraw/zinc/16/11/99/134161199.db2.gz BUSUKUXTLHQMSK-UHFFFAOYSA-N 1 0 246.376 0.611 10 0 BCAERO C[NH2+][C@H](COC)c1cnnn1CCF ZINC000675080847 538520116 /nfs/dbraw/zinc/52/01/16/538520116.db2.gz WQJIMJMAAXKVKY-SSDOTTSWSA-N 1 0 202.233 0.155 10 0 BCAERO CC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)OC)C1 ZINC000389512622 356695318 /nfs/dbraw/zinc/69/53/18/356695318.db2.gz FGJRMMHSGSQTAR-RKDXNWHRSA-N 1 0 200.282 0.232 10 0 BCAERO C[C@H]1C[C@H](C)CC(C(N)=O)(N2CC[NH2+]CC2)C1 ZINC000084471056 538532572 /nfs/dbraw/zinc/53/25/72/538532572.db2.gz RLFURGVHUYTSRB-QWRGUYRKSA-N 1 0 239.363 0.572 10 0 BCAERO Cc1cnn([C@@H]2CC[C@@]([NH3+])(C(N)=O)C2)c1 ZINC000086626905 538558392 /nfs/dbraw/zinc/55/83/92/538558392.db2.gz BBAKJDNVQPMVCY-SCZZXKLOSA-N 1 0 208.265 0.099 10 0 BCAERO CC(C)CC(=O)N1CC(N2CC[NH2+]CC2)C1 ZINC000085279929 538538337 /nfs/dbraw/zinc/53/83/37/538538337.db2.gz UUVBQLWOHUIIID-UHFFFAOYSA-N 1 0 225.336 0.149 10 0 BCAERO CSCC[C@H](O)[C@]1(C[NH3+])CCOC1 ZINC000085919216 538548823 /nfs/dbraw/zinc/54/88/23/538548823.db2.gz VOSNOLDUHQRURD-IUCAKERBSA-N 1 0 205.323 0.466 10 0 BCAERO CCCNC(=O)NC[C@@H]1CC[NH2+]C[C@H]1C ZINC000129819463 538576665 /nfs/dbraw/zinc/57/66/65/538576665.db2.gz AKSRBEOUNWVEAT-ZJUUUORDSA-N 1 0 213.325 0.941 10 0 BCAERO CCCCS(=O)(=O)NC[C@@H]1CC[NH2+]C[C@H]1C ZINC000129825520 538576796 /nfs/dbraw/zinc/57/67/96/538576796.db2.gz LUPSTYFUBIVTKR-MNOVXSKESA-N 1 0 248.392 0.952 10 0 BCAERO C[C@H]1C[NH2+]CC[C@H]1CNS(=O)(=O)C1CC1 ZINC000129831959 538578682 /nfs/dbraw/zinc/57/86/82/538578682.db2.gz WDANXPGDDJZWKN-IUCAKERBSA-N 1 0 232.349 0.314 10 0 BCAERO COC(OC)C(=O)C[C@@H]1C[C@@H](C)CC[NH2+]1 ZINC000130352618 538588596 /nfs/dbraw/zinc/58/85/96/538588596.db2.gz ULBLJIXQHNGGFH-IUCAKERBSA-N 1 0 215.293 0.953 10 0 BCAERO CCC[C@@H](C)C(=O)N1CCN(C2C[NH2+]C2)CC1 ZINC000090306984 538592556 /nfs/dbraw/zinc/59/25/56/538592556.db2.gz WHNOWNHVPSNFCT-LLVKDONJSA-N 1 0 239.363 0.539 10 0 BCAERO CC(C)[C@H]([NH2+]Cc1cnn(C)c1)C(N)=O ZINC000223967523 538598067 /nfs/dbraw/zinc/59/80/67/538598067.db2.gz FUSZXHZMJFKDQM-VIFPVBQESA-N 1 0 210.281 0.020 10 0 BCAERO CC(C)n1cc(O[C@@H]2C[NH2+]C[C@@H]2O)cn1 ZINC000167367078 538677648 /nfs/dbraw/zinc/67/76/48/538677648.db2.gz IBPYWLDOOULMNX-VHSXEESVSA-N 1 0 211.265 0.176 10 0 BCAERO COC[C@H](C)C(=O)N1[C@H](C)C[N@@H+](C)C[C@@H]1C ZINC000155600572 538723145 /nfs/dbraw/zinc/72/31/45/538723145.db2.gz KYJVFFLLAORFNE-GARJFASQSA-N 1 0 228.336 0.820 10 0 BCAERO COC(=O)[C@@H](C)NC(=O)[C@H]1CCC[NH2+][C@H]1C ZINC000423191381 192618197 /nfs/dbraw/zinc/61/81/97/192618197.db2.gz SRYHUNINLODUJI-YIZRAAEISA-N 1 0 228.292 0.052 10 0 BCAERO CN1CC[N@H+](C[C@H]2Cc3ccccc32)[C@@H](CO)C1 ZINC000639866790 356985729 /nfs/dbraw/zinc/98/57/29/356985729.db2.gz IJDUUYLRPDYIIG-ZIAGYGMSSA-N 1 0 246.354 0.935 10 0 BCAERO C(NC1=[NH+]CCN1)[C@@H]1CSCCS1 ZINC000129856116 356993963 /nfs/dbraw/zinc/99/39/63/356993963.db2.gz JHFHSWILWAXXEH-SSDOTTSWSA-N 1 0 217.363 0.384 10 0 BCAERO CO[C@H]1C[NH2+][C@@H](C(=O)Nc2ccccn2)C1 ZINC000389778590 357029208 /nfs/dbraw/zinc/02/92/08/357029208.db2.gz FUIZTUBUGHEWJL-RKDXNWHRSA-N 1 0 221.260 0.397 10 0 BCAERO C[C@H]1CC[NH2+]C[C@H]1Nc1ccc2nccnc2n1 ZINC000389710199 357017651 /nfs/dbraw/zinc/01/76/51/357017651.db2.gz TZCBFOYZFWKWMU-GXSJLCMTSA-N 1 0 243.314 0.808 10 0 BCAERO C[C@H]([NH3+])[C@@H]1CCN(S(=O)(=O)C(F)F)C1 ZINC000160593840 357105931 /nfs/dbraw/zinc/10/59/31/357105931.db2.gz KXLMGUVGMJKCKY-NTSWFWBYSA-N 1 0 228.264 0.208 10 0 BCAERO O=c1[nH]ccc2cc(NC3C[NH2+]C3)ccc21 ZINC000168672008 357057754 /nfs/dbraw/zinc/05/77/54/357057754.db2.gz GJKDZRLSDSTPRZ-UHFFFAOYSA-N 1 0 215.256 0.912 10 0 BCAERO CN1CCC([N@H+](C)C[C@H]2C[C@H]2C(=O)[O-])CC1 ZINC000258857481 538800180 /nfs/dbraw/zinc/80/01/80/538800180.db2.gz JPELJQRTCZZRFV-MWLCHTKSSA-N 1 0 226.320 0.733 10 0 BCAERO C[C@@H](N[C@@H]1CCCC[C@H]1O)c1ncn(C)n1 ZINC000391940913 357136752 /nfs/dbraw/zinc/13/67/52/357136752.db2.gz VXNYHZJEJAXUAR-OPRDCNLKSA-N 1 0 224.308 0.769 10 0 BCAERO NC(=O)[C@H]([NH3+])Cc1coc2ccccc12 ZINC000259058804 538805605 /nfs/dbraw/zinc/80/56/05/538805605.db2.gz MHDPODYAOPMPHZ-SECBINFHSA-N 1 0 204.229 0.788 10 0 BCAERO [NH3+]CC1(S(=O)(=O)N2CCCCC2)CC1 ZINC000259037215 538806768 /nfs/dbraw/zinc/80/67/68/538806768.db2.gz ZVTXTYHSABCNOX-UHFFFAOYSA-N 1 0 218.322 0.293 10 0 BCAERO COCCCC(=O)N1CC[C@H]2OCC[NH2+][C@H]2C1 ZINC000404011932 357213245 /nfs/dbraw/zinc/21/32/45/357213245.db2.gz QCKFMVDERLGCLL-WDEREUQCSA-N 1 0 242.319 0.002 10 0 BCAERO CC(C)[C@@H](C)C(=O)NC[C@@]1(O)CC[NH2+]C1 ZINC000157099237 538809099 /nfs/dbraw/zinc/80/90/99/538809099.db2.gz PLQQLTULWAJCTM-MWLCHTKSSA-N 1 0 214.309 0.119 10 0 BCAERO CO[C@@H]1CCN(C[C@@H]2CSCC[NH2+]2)C1 ZINC000300042533 357176203 /nfs/dbraw/zinc/17/62/03/357176203.db2.gz QEUHDCPBDNPJHC-NXEZZACHSA-N 1 0 216.350 0.412 10 0 BCAERO CCS(=O)(=O)NC[C@]1(C)CCC[NH2+]1 ZINC000157173518 538810779 /nfs/dbraw/zinc/81/07/79/538810779.db2.gz SCGIHVLSCORZAL-QMMMGPOBSA-N 1 0 206.311 0.068 10 0 BCAERO NC(=O)c1cc(N[C@H]2CCCC[C@@H]2[NH3+])ccn1 ZINC000038050791 181290722 /nfs/dbraw/zinc/29/07/22/181290722.db2.gz UJOLCKNVGOZMKC-UWVGGRQHSA-N 1 0 234.303 0.862 10 0 BCAERO CC1CC(C(=O)N2CCO[C@@H](C[NH3+])C2)C1 ZINC000393806338 357301268 /nfs/dbraw/zinc/30/12/68/357301268.db2.gz PGNNSZDKFFGGBF-RTBKNWGFSA-N 1 0 212.293 0.219 10 0 BCAERO C[C@@H](NC(=O)C(C)(C)[NH3+])[C@@H]1CCOC1 ZINC000160715158 357306094 /nfs/dbraw/zinc/30/60/94/357306094.db2.gz RYRSEDVBUZAHGI-HTQZYQBOSA-N 1 0 200.282 0.265 10 0 BCAERO CC[N@@H+]1CCC[C@H]1CN(C)CC1(CO)COC1 ZINC000393921731 357307123 /nfs/dbraw/zinc/30/71/23/357307123.db2.gz JWRREYJUJOCTKT-LBPRGKRZSA-N 1 0 242.363 0.411 10 0 BCAERO NC(=O)c1cc(NC[C@@H]2CCC[NH2+]C2)ccn1 ZINC000044503250 181290888 /nfs/dbraw/zinc/29/08/88/181290888.db2.gz CXPODEWLJIOYDL-SECBINFHSA-N 1 0 234.303 0.592 10 0 BCAERO COC[C@H](O)C[NH2+]CC1C[C@@H](C)O[C@H](C)C1 ZINC000582960170 357438559 /nfs/dbraw/zinc/43/85/59/357438559.db2.gz DKZGRQGFVUTUEZ-CKYFFXLPSA-N 1 0 231.336 0.787 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@]1(C)CCOC1 ZINC000397151242 357504814 /nfs/dbraw/zinc/50/48/14/357504814.db2.gz JHIAWRXHDDYICA-FOGDFJRCSA-N 1 0 226.320 0.385 10 0 BCAERO CCOC(=O)c1ccnc(CC[NH+](C)C)n1 ZINC000261165018 538858108 /nfs/dbraw/zinc/85/81/08/538858108.db2.gz YBZJYIQROTWNMZ-UHFFFAOYSA-N 1 0 223.276 0.757 10 0 BCAERO NC(=O)c1cc(NCC2([NH3+])CCC2)ccn1 ZINC000236191608 181291459 /nfs/dbraw/zinc/29/14/59/181291459.db2.gz ONDXQEYKQATHTB-UHFFFAOYSA-N 1 0 220.276 0.474 10 0 BCAERO COCC1CCN(C(=O)[C@H]2C[C@H](F)C[NH2+]2)CC1 ZINC000188525431 357558790 /nfs/dbraw/zinc/55/87/90/357558790.db2.gz ATIHTGOXCZBTQB-WDEREUQCSA-N 1 0 244.310 0.571 10 0 BCAERO C[C@@H]1C(=O)NCCC[N@H+]1C[C@@H]1CCCCO1 ZINC000189307748 357630984 /nfs/dbraw/zinc/63/09/84/357630984.db2.gz NELHZIHXKUNUAJ-MNOVXSKESA-N 1 0 226.320 0.766 10 0 BCAERO COCCC(=O)NC[C@@]12CC[C@H]1CC[NH2+]2 ZINC000685946635 538885780 /nfs/dbraw/zinc/88/57/80/538885780.db2.gz LWXMLQCFNYXTDW-ONGXEEELSA-N 1 0 212.293 0.281 10 0 BCAERO CC(C)(C)NC(=O)N1CC[C@H]([NH3+])[C@H](F)C1 ZINC000685945807 538886905 /nfs/dbraw/zinc/88/69/05/538886905.db2.gz BFNHSBQSVZEEGF-SFYZADRCSA-N 1 0 217.288 0.866 10 0 BCAERO CC(C)S(=O)(=O)NC[C@@]12CC[C@@H]1CC[NH2+]2 ZINC000685945984 538887536 /nfs/dbraw/zinc/88/75/36/538887536.db2.gz AUBZXXLPYBAISC-ZJUUUORDSA-N 1 0 232.349 0.456 10 0 BCAERO CCCNC(=O)N1CC[C@H]2CC[C@@]21C[NH3+] ZINC000685947269 538888695 /nfs/dbraw/zinc/88/86/95/538888695.db2.gz SZIXCKWOUOLPLX-MWLCHTKSSA-N 1 0 211.309 0.919 10 0 BCAERO C[N@H+](CCO)[C@@H]1CC(=O)N[C@H](C(F)(F)F)C1 ZINC000685947180 538888879 /nfs/dbraw/zinc/88/88/79/538888879.db2.gz SPJSKXDVBFFEQG-BQBZGAKWSA-N 1 0 240.225 0.120 10 0 BCAERO CC[C@]1(NC(=O)COC)CCC[NH2+]C1 ZINC000685947076 538888925 /nfs/dbraw/zinc/88/89/25/538888925.db2.gz ILDHHNGQRIUWMS-JTQLQIEISA-N 1 0 200.282 0.281 10 0 BCAERO O=S(=O)(C1CC1)N1CCCC2(C[NH2+]C2)C1 ZINC000685947081 538888950 /nfs/dbraw/zinc/88/89/50/538888950.db2.gz ILJVKPNVPKEEDI-UHFFFAOYSA-N 1 0 230.333 0.164 10 0 BCAERO CCCS(=O)(=O)NC[C@]12CC[C@@H]1CC[NH2+]2 ZINC000685947112 538889039 /nfs/dbraw/zinc/88/90/39/538889039.db2.gz RJXOPVGIQNPGMF-NXEZZACHSA-N 1 0 232.349 0.458 10 0 BCAERO CC(C)NC(=O)c1cnn2c1C[C@H]([NH3+])CC2 ZINC000685947319 538889101 /nfs/dbraw/zinc/88/91/01/538889101.db2.gz UOFORFTTXGPLKE-MRVPVSSYSA-N 1 0 222.292 0.295 10 0 BCAERO O=S(=O)(NC[C@@]12CC[C@H]1CC[NH2+]2)C1CC1 ZINC000685947434 538889352 /nfs/dbraw/zinc/88/93/52/538889352.db2.gz VLKQAETVHUTIMB-WPRPVWTQSA-N 1 0 230.333 0.210 10 0 BCAERO CC[C@]1(NS(C)(=O)=O)CCC[NH2+]C1 ZINC000685948050 538889732 /nfs/dbraw/zinc/88/97/32/538889732.db2.gz VKFRHTHZCJXSEW-QMMMGPOBSA-N 1 0 206.311 0.068 10 0 BCAERO CC[C@@]1(NC(=O)CCOC)CCC[NH2+]C1 ZINC000685948016 538889735 /nfs/dbraw/zinc/88/97/35/538889735.db2.gz VBSNDHSYNWOQSO-LLVKDONJSA-N 1 0 214.309 0.671 10 0 BCAERO CCCNC(=O)N1CCCC2(C[NH2+]C2)C1 ZINC000685948002 538889803 /nfs/dbraw/zinc/88/98/03/538889803.db2.gz UVEWPSIRVRGPTP-UHFFFAOYSA-N 1 0 211.309 0.791 10 0 BCAERO C[C@@]1(C[NH3+])CCCN1S(=O)(=O)C1CC1 ZINC000685947968 538889816 /nfs/dbraw/zinc/88/98/16/538889816.db2.gz VGKAWOBRWAWEPM-VIFPVBQESA-N 1 0 218.322 0.292 10 0 BCAERO O=C(CC1CC1)N1CC2(C1)CCC[NH2+]C2 ZINC000685947938 538889870 /nfs/dbraw/zinc/88/98/70/538889870.db2.gz UKNVJRKWFSOWAU-UHFFFAOYSA-N 1 0 208.305 0.999 10 0 BCAERO O=C(c1ccoc1)N1CC[C@H]2OCC[NH2+][C@@H]2C1 ZINC000404060943 357656765 /nfs/dbraw/zinc/65/67/65/357656765.db2.gz MJKVVYPXYDOTFE-GHMZBOCLSA-N 1 0 236.271 0.483 10 0 BCAERO CS(=O)(=O)N[C@@]12CC[NH2+][C@H]1CCCC2 ZINC000685949020 538891640 /nfs/dbraw/zinc/89/16/40/538891640.db2.gz INEPUQHMTQVOIR-IUCAKERBSA-N 1 0 218.322 0.210 10 0 BCAERO [NH3+][C@H]1C[C@@H](N2CCOCC2)C12CCOCC2 ZINC000685949199 538892489 /nfs/dbraw/zinc/89/24/89/538892489.db2.gz LQCHJNXEWSMWIL-WDEREUQCSA-N 1 0 226.320 0.215 10 0 BCAERO CCCS(=O)(=O)N[C@@]12CC[NH2+][C@H]1CCCC2 ZINC000685949275 538892652 /nfs/dbraw/zinc/89/26/52/538892652.db2.gz NYUQDFNJUWRLPJ-QWRGUYRKSA-N 1 0 246.376 0.991 10 0 BCAERO [NH3+][C@@]12CCN(S(=O)(=O)C3CC3)[C@@H]1CCCC2 ZINC000685949761 538892911 /nfs/dbraw/zinc/89/29/11/538892911.db2.gz XBZJBGDETQPGQS-MNOVXSKESA-N 1 0 244.360 0.824 10 0 BCAERO Cc1sc([C@@H]2CCC[NH2+]2)nc1C(N)=O ZINC000685949634 538893142 /nfs/dbraw/zinc/89/31/42/538893142.db2.gz VTLPBVTVSSRFMK-LURJTMIESA-N 1 0 211.290 0.975 10 0 BCAERO Nc1cccc(-c2cnnn2C2C[NH2+]C2)c1 ZINC000685951602 538895188 /nfs/dbraw/zinc/89/51/88/538895188.db2.gz CLSOLGVFBSTSPP-UHFFFAOYSA-N 1 0 215.260 0.672 10 0 BCAERO C[C@@H]1C[NH2+]C[C@@H](C)C1N1CCOC[C@@H]1C ZINC000685951432 538895447 /nfs/dbraw/zinc/89/54/47/538895447.db2.gz UHFROZQLOFAVNB-MXWKQRLJSA-N 1 0 212.337 0.951 10 0 BCAERO C[C@@H]1C(=O)NCCC[N@H+]1CC[C@@H]1CCOC1=O ZINC000189327693 357632362 /nfs/dbraw/zinc/63/23/62/357632362.db2.gz CHCVKYWFAXQCQJ-NXEZZACHSA-N 1 0 240.303 0.150 10 0 BCAERO C[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000191183400 357739881 /nfs/dbraw/zinc/73/98/81/357739881.db2.gz CDQJWJOIIYVNNN-SRVKXCTJSA-N 1 0 240.347 0.964 10 0 BCAERO COc1ccc(C[NH2+][C@H]2CCOC[C@H]2O)cc1 ZINC000623763904 357755547 /nfs/dbraw/zinc/75/55/47/357755547.db2.gz VTIPWEGQPQYGPY-QWHCGFSZSA-N 1 0 237.299 0.935 10 0 BCAERO [NH3+][C@H]1CC[C@H](C(=O)N2CCCOCC2)C1 ZINC000085012922 134221166 /nfs/dbraw/zinc/22/11/66/134221166.db2.gz YEHNEHOSHVSZOI-UWVGGRQHSA-N 1 0 212.293 0.363 10 0 BCAERO C[C@H](O)CCNC(=O)[C@@H]1[NH2+]CCCC1(C)C ZINC000235536706 357877737 /nfs/dbraw/zinc/87/77/37/357877737.db2.gz UOCCKJTWIFWURU-UWVGGRQHSA-N 1 0 228.336 0.652 10 0 BCAERO CCn1ncnc1CN1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000193348103 357878141 /nfs/dbraw/zinc/87/81/41/357878141.db2.gz NMKBKSIMTLSWOX-RYUDHWBXSA-N 1 0 249.362 0.967 10 0 BCAERO CC[C@@H](O)CCCNC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000398543274 357887435 /nfs/dbraw/zinc/88/74/35/357887435.db2.gz GUOWAUDIBHSXCB-GMTAPVOTSA-N 1 0 228.336 0.509 10 0 BCAERO C[C@H](O)C[C@H](C)CNC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000398621358 357888294 /nfs/dbraw/zinc/88/82/94/357888294.db2.gz GQQCAFOUBFSROL-ZRUFSTJUSA-N 1 0 228.336 0.365 10 0 BCAERO C[C@@H](O)C[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000192975049 357862703 /nfs/dbraw/zinc/86/27/03/357862703.db2.gz HDVZCMDMQWCXAV-SECBINFHSA-N 1 0 209.293 0.970 10 0 BCAERO C[C@@H](O)C[N@@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000192990945 357862901 /nfs/dbraw/zinc/86/29/01/357862901.db2.gz QZMBXTTWGFXURD-PWSUYJOCSA-N 1 0 222.288 0.916 10 0 BCAERO C[C@H]1CN(C(=O)CCn2cccn2)C[C@@H]1[NH3+] ZINC000235657222 357927073 /nfs/dbraw/zinc/92/70/73/357927073.db2.gz AYYZNEAINYUOTD-UWVGGRQHSA-N 1 0 222.292 0.079 10 0 BCAERO C[NH2+][C@H](C)C(=O)N(C)C[C@H]1CCOC1 ZINC000399244316 357899233 /nfs/dbraw/zinc/89/92/33/357899233.db2.gz JOOOQBXDOLOQMV-RKDXNWHRSA-N 1 0 200.282 0.089 10 0 BCAERO CCCCOC[C@@H](O)C[NH2+]CC(=O)N(C)CC ZINC000218083766 357919120 /nfs/dbraw/zinc/91/91/20/357919120.db2.gz PFWSAYXCWWFILM-NSHDSACASA-N 1 0 246.351 0.232 10 0 BCAERO C[C@@H]1C[C@H](O)CC[N@@H+]1CCc1cnccn1 ZINC000639938387 357943346 /nfs/dbraw/zinc/94/33/46/357943346.db2.gz VWSVPUOLTBRKAG-ZYHUDNBSSA-N 1 0 221.304 0.864 10 0 BCAERO CC[C@H](C)NC(=O)C[N@@H+]1CC[C@@H](O)C[C@H]1C ZINC000639941171 357952667 /nfs/dbraw/zinc/95/26/67/357952667.db2.gz VCHMJEMOFMVONF-HBNTYKKESA-N 1 0 228.336 0.746 10 0 BCAERO CCCCNC(=O)C[N@@H+]1CC[C@@H](O)C[C@H]1C ZINC000639940424 357954301 /nfs/dbraw/zinc/95/43/01/357954301.db2.gz CEBJQZXVJKEWBN-GHMZBOCLSA-N 1 0 228.336 0.748 10 0 BCAERO COC[C@](C)(CO)[NH2+]C[C@H](O)COC(C)(C)C ZINC000639950946 357972808 /nfs/dbraw/zinc/97/28/08/357972808.db2.gz DGBKYSRNEJNYCF-JQWIXIFHSA-N 1 0 249.351 0.149 10 0 BCAERO COC[C@@](C)(CO)[NH2+]C[C@@H]1CCCN1C ZINC000639956962 357981209 /nfs/dbraw/zinc/98/12/09/357981209.db2.gz HMVZDHLUTZPZAK-WDEREUQCSA-N 1 0 216.325 0.068 10 0 BCAERO COC(=O)[C@H](C)N1CC[C@H]([NH3+])C[C@H]1C ZINC000168968283 358001928 /nfs/dbraw/zinc/00/19/28/358001928.db2.gz FMPVVBXVEZRJIF-VGMNWLOBSA-N 1 0 200.282 0.360 10 0 BCAERO CO[C@H](C)C(=O)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000168685237 134241869 /nfs/dbraw/zinc/24/18/69/134241869.db2.gz MHHYIFUMLJUBDO-NXEZZACHSA-N 1 0 214.309 0.431 10 0 BCAERO CC(C)(CO)[NH2+]C[C@@H](O)COc1ccccc1 ZINC000006364136 358003806 /nfs/dbraw/zinc/00/38/06/358003806.db2.gz PHXMHSNTEYHUIO-LLVKDONJSA-N 1 0 239.315 0.787 10 0 BCAERO CC[N@H+](CCNC(=O)[C@@H](C)[NH2+]C)C1CC1 ZINC000219907177 358010727 /nfs/dbraw/zinc/01/07/27/358010727.db2.gz SLESAXKRLIISID-SECBINFHSA-N 1 0 213.325 0.195 10 0 BCAERO COc1ncccc1CN1CC[NH2+]CC1 ZINC000061444521 491118562 /nfs/dbraw/zinc/11/85/62/491118562.db2.gz LEYMCHYWLLFNIA-UHFFFAOYSA-N 1 0 207.277 0.495 10 0 BCAERO C[C@H]([NH2+][C@H]1CCC(=O)N(C)C1=O)[C@H]1C[C@H]1C ZINC000321610110 259475961 /nfs/dbraw/zinc/47/59/61/259475961.db2.gz ZDZIMZPKBKEVTH-KATARQTJSA-N 1 0 224.304 0.768 10 0 BCAERO C[NH2+][C@H](C)C(=O)NC1CCSCC1 ZINC000220753017 358052714 /nfs/dbraw/zinc/05/27/14/358052714.db2.gz UQVHFRYUVQFPGD-SSDOTTSWSA-N 1 0 202.323 0.606 10 0 BCAERO C[C@@H](O)C[NH2+]C[C@@H](O)COCc1ccco1 ZINC000037853037 358095649 /nfs/dbraw/zinc/09/56/49/358095649.db2.gz SRZTXQJQGHEJNU-NXEZZACHSA-N 1 0 229.276 0.128 10 0 BCAERO COC[C@@H](C)C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000170893872 134254395 /nfs/dbraw/zinc/25/43/95/134254395.db2.gz SSLFPBDYJZKGBB-ZJUUUORDSA-N 1 0 214.309 0.479 10 0 BCAERO CC[C@H](C(N)=O)[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000171081660 134257234 /nfs/dbraw/zinc/25/72/34/134257234.db2.gz RHJWFTAXPAXSHV-LLVKDONJSA-N 1 0 236.319 0.853 10 0 BCAERO COC[C@@H]([NH3+])C(=O)NCC[C@@H]1CCCCO1 ZINC000224083800 358231064 /nfs/dbraw/zinc/23/10/64/358231064.db2.gz XUFKHUSVZYKVOD-VHSXEESVSA-N 1 0 230.308 0.036 10 0 BCAERO Cn1c2ccccc2nc1NC1C[NH2+]C1 ZINC000085256793 134264641 /nfs/dbraw/zinc/26/46/41/134264641.db2.gz XIRFFYONRZTUMX-UHFFFAOYSA-N 1 0 202.261 0.957 10 0 BCAERO CO[C@H]1C[NH2+][C@@H](C(=O)NCc2ccccc2)C1 ZINC000040629801 358244654 /nfs/dbraw/zinc/24/46/54/358244654.db2.gz LGOOYSAQUOEONO-VXGBXAGGSA-N 1 0 234.299 0.680 10 0 BCAERO COC[C@@H](C[NH3+])Oc1ccc(F)cn1 ZINC000225246141 358247903 /nfs/dbraw/zinc/24/79/03/358247903.db2.gz TUXBGZFXTLRCBT-MRVPVSSYSA-N 1 0 200.213 0.573 10 0 BCAERO O=C(NC1C[NH2+]C1)c1ccc2c(c1)CCC2 ZINC000085256062 134265065 /nfs/dbraw/zinc/26/50/65/134265065.db2.gz QZVBMMBNMULQLO-UHFFFAOYSA-N 1 0 216.284 0.877 10 0 BCAERO CNS(=O)(=O)C[C@H]1CC[C@H]([NH3+])CC1 ZINC000584601516 358258703 /nfs/dbraw/zinc/25/87/03/358258703.db2.gz VHJBAAOWOMLXTI-ZKCHVHJHSA-N 1 0 206.311 0.053 10 0 BCAERO CCOCCO[C@@H]1C[C@@H](C[NH+](C)C)C[C@H]1CO ZINC000584603285 358261985 /nfs/dbraw/zinc/26/19/85/358261985.db2.gz PZQVZOIIYHQBIL-RWMBFGLXSA-N 1 0 245.363 0.988 10 0 BCAERO O=Cc1cccc(C(=O)[C@@H]2[NH2+]CC[C@@H]2O)c1 ZINC000584630064 358299779 /nfs/dbraw/zinc/29/97/79/358299779.db2.gz YXPGYHJSAHADRF-WDEREUQCSA-N 1 0 219.240 0.405 10 0 BCAERO CCC[C@H]([NH3+])C(=O)NCC(=O)OC(C)(C)C ZINC000584651662 358306849 /nfs/dbraw/zinc/30/68/49/358306849.db2.gz OGTKAILXUFROCC-QMMMGPOBSA-N 1 0 230.308 0.572 10 0 BCAERO CNc1cc(N(C)[C@H]2C[NH2+]CC[C@H]2C)ncn1 ZINC000584654035 358308357 /nfs/dbraw/zinc/30/83/57/358308357.db2.gz NAIMMQLKAHFIBW-ZJUUUORDSA-N 1 0 235.335 0.953 10 0 BCAERO Cc1cccnc1C(=O)N(C)C1C[NH2+]C1 ZINC000085257777 134270256 /nfs/dbraw/zinc/27/02/56/134270256.db2.gz RTNZYXPHCAFUIX-UHFFFAOYSA-N 1 0 205.261 0.434 10 0 BCAERO C[C@@H](CO)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1O ZINC000226237506 358336374 /nfs/dbraw/zinc/33/63/74/358336374.db2.gz NODCZEGACAXGER-UKKRHICBSA-N 1 0 201.310 0.896 10 0 BCAERO CC(C)NS(=O)(=O)N(C)[C@H]1CCC[NH2+]CC1 ZINC000226464356 358340204 /nfs/dbraw/zinc/34/02/04/358340204.db2.gz GWGRVIBTAHLRGZ-JTQLQIEISA-N 1 0 249.380 0.303 10 0 BCAERO C[C@@H]1CN(C(=O)[C@H]2CC[NH2+]C2)C[C@H](C)S1 ZINC000226680158 358342427 /nfs/dbraw/zinc/34/24/27/358342427.db2.gz ABDADARGXSJZLK-AEJSXWLSSA-N 1 0 228.361 0.948 10 0 BCAERO CO[C@H]1C[NH2+][C@@H](C(=O)N2C[C@H](C)C[C@H](C)C2)C1 ZINC000226687358 358342586 /nfs/dbraw/zinc/34/25/86/358342586.db2.gz PZWUXRZZLFGNPT-WRWGMCAJSA-N 1 0 240.347 0.868 10 0 BCAERO C[C@H](NC(=O)[C@@]1(C)CCC[NH2+]1)c1cn[nH]c1 ZINC000226697270 358342769 /nfs/dbraw/zinc/34/27/69/358342769.db2.gz VVPCJZCVIQLGRM-GZMMTYOYSA-N 1 0 222.292 0.729 10 0 BCAERO [NH3+][C@@H](Cc1ccccc1)C(=O)Nc1cc[nH]n1 ZINC000042414775 358348148 /nfs/dbraw/zinc/34/81/48/358348148.db2.gz FFKSOQDAPXVWON-JTQLQIEISA-N 1 0 230.271 0.918 10 0 BCAERO CNC(=O)c1ccc(N[C@@H](C)C[C@H](C)[NH3+])nn1 ZINC000228271284 358372351 /nfs/dbraw/zinc/37/23/51/358372351.db2.gz CHRXOZZUPNQAFJ-YUMQZZPRSA-N 1 0 237.307 0.374 10 0 BCAERO C[C@@H](NC(=O)[C@@]1(C)CCCC[NH2+]1)c1nc[nH]n1 ZINC000227696981 358361099 /nfs/dbraw/zinc/36/10/99/358361099.db2.gz VRJMOYCNKXWDQT-LDYMZIIASA-N 1 0 237.307 0.514 10 0 BCAERO CCCCOC[C@@H](O)C[NH2+][C@@H](CC)CO ZINC000227888777 358365152 /nfs/dbraw/zinc/36/51/52/358365152.db2.gz RRIGOQAKPVZNQM-QWRGUYRKSA-N 1 0 219.325 0.525 10 0 BCAERO CCCCOC[C@H](O)C[NH2+]C[C@@H]1COCCO1 ZINC000227889650 358365249 /nfs/dbraw/zinc/36/52/49/358365249.db2.gz PEQSYHBHYRDBQO-VXGBXAGGSA-N 1 0 247.335 0.169 10 0 BCAERO CCCCOC[C@H](O)C[NH2+]C[C@H]1COCCO1 ZINC000227889661 358365316 /nfs/dbraw/zinc/36/53/16/358365316.db2.gz PEQSYHBHYRDBQO-NEPJUHHUSA-N 1 0 247.335 0.169 10 0 BCAERO CCCCOC[C@@H](O)C[NH2+][C@H]1CCCOC1 ZINC000227892637 358365347 /nfs/dbraw/zinc/36/53/47/358365347.db2.gz LSGNVBCHPGAWMU-RYUDHWBXSA-N 1 0 231.336 0.933 10 0 BCAERO CCCCOC[C@@H](O)C[NH2+]C[C@H](O)C1CC1 ZINC000227892570 358365458 /nfs/dbraw/zinc/36/54/58/358365458.db2.gz XJFWUGGWRSQVMU-RYUDHWBXSA-N 1 0 231.336 0.525 10 0 BCAERO CO[C@H]1C[NH2+][C@@H](C(=O)N(C)CC(C)(C)C)C1 ZINC000045087958 358400235 /nfs/dbraw/zinc/40/02/35/358400235.db2.gz VFVOPMNJCBHYMU-NXEZZACHSA-N 1 0 228.336 0.868 10 0 BCAERO O=C(C[C@H]1CCC[NH2+]C1)N[C@@H]1CCSC1 ZINC000231352393 358416913 /nfs/dbraw/zinc/41/69/13/358416913.db2.gz SMEZFORWSHYUSZ-NXEZZACHSA-N 1 0 228.361 0.998 10 0 BCAERO CC1(C)CC[N@@H+]([C@H](C[NH3+])C(=O)[O-])CCS1 ZINC000231040678 358541159 /nfs/dbraw/zinc/54/11/59/358541159.db2.gz QBWFFYUKJBNTSX-MRVPVSSYSA-N 1 0 232.349 0.616 10 0 BCAERO CCCCOC[C@@H](O)C[N@H+](C)[C@H](CC)CO ZINC000345828125 358542696 /nfs/dbraw/zinc/54/26/96/358542696.db2.gz IIKQHDCNBUUJGB-NEPJUHHUSA-N 1 0 233.352 0.867 10 0 BCAERO CC(C)(C)OC[C@H](O)C[NH+]1CCC(O)CC1 ZINC000046343245 358575309 /nfs/dbraw/zinc/57/53/09/358575309.db2.gz IERVVJDNMMOFKL-LLVKDONJSA-N 1 0 231.336 0.619 10 0 BCAERO [NH3+]C[C@H]1CCCN1C(=O)c1ccc(F)cn1 ZINC000130018396 358605588 /nfs/dbraw/zinc/60/55/88/358605588.db2.gz DPBOJBFHKOALEG-SECBINFHSA-N 1 0 223.251 0.784 10 0 BCAERO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCNC2=O)CN1C1CC1 ZINC000130088124 358607095 /nfs/dbraw/zinc/60/70/95/358607095.db2.gz ZXEYNTALZUGXKQ-CKYFFXLPSA-N 1 0 237.347 0.480 10 0 BCAERO O=C(NC1C[NH2+]C1)[C@@H]1CC1(Cl)Cl ZINC000237800098 358609080 /nfs/dbraw/zinc/60/90/80/358609080.db2.gz CXCBGOOAVJQQAH-YFKPBYRVSA-N 1 0 209.076 0.268 10 0 BCAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]CC(=O)NC(C)(C)C ZINC000393002396 259480793 /nfs/dbraw/zinc/48/07/93/259480793.db2.gz LVWUMMSLEOOUSF-IUCAKERBSA-N 1 0 241.335 0.158 10 0 BCAERO C[C@@H]([NH2+]CC(=O)N(C)C1CC1)[C@@H]1CCCO1 ZINC000049304899 358681519 /nfs/dbraw/zinc/68/15/19/358681519.db2.gz JVIGSCNVHJIKID-KOLCDFICSA-N 1 0 226.320 0.764 10 0 BCAERO Cc1cnc(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)cn1 ZINC000049515928 358693662 /nfs/dbraw/zinc/69/36/62/358693662.db2.gz FGENZMWXMPXOHF-NSHDSACASA-N 1 0 246.314 0.705 10 0 BCAERO C[C@]1([NH2+]Cc2cnc(N)s2)CCOC1 ZINC000306148354 358758310 /nfs/dbraw/zinc/75/83/10/358758310.db2.gz BAUKURSDWIQXJX-VIFPVBQESA-N 1 0 213.306 0.994 10 0 BCAERO C[C@H](NC(=O)N(C)CC[NH+](C)C)[C@H]1CCCO1 ZINC000176224584 134289517 /nfs/dbraw/zinc/28/95/17/134289517.db2.gz IYHJEEIBMZWKHG-WDEREUQCSA-N 1 0 243.351 0.757 10 0 BCAERO COC[C@H](C)[NH2+]CCn1ccccc1=O ZINC000053500446 358742090 /nfs/dbraw/zinc/74/20/90/358742090.db2.gz CPFRDKPDEQQNQY-JTQLQIEISA-N 1 0 210.277 0.473 10 0 BCAERO CC(C)CNC(=O)C[NH2+][C@H]1CCC(=O)N[C@@H]1C ZINC000393027993 259481047 /nfs/dbraw/zinc/48/10/47/259481047.db2.gz VBUDKKVBUHWJRX-ZJUUUORDSA-N 1 0 241.335 0.015 10 0 BCAERO CC(C)[C@H](C)NC(=O)C[NH2+][C@@H]1CCO[C@H]1C ZINC000134546877 358795631 /nfs/dbraw/zinc/79/56/31/358795631.db2.gz ZNRMYBVFDJJADN-GARJFASQSA-N 1 0 228.336 0.914 10 0 BCAERO CC(C)[C@H](C)NC(=O)C[NH2+][C@H]1CCO[C@@H]1C ZINC000134546899 358795692 /nfs/dbraw/zinc/79/56/92/358795692.db2.gz ZNRMYBVFDJJADN-AXFHLTTASA-N 1 0 228.336 0.914 10 0 BCAERO NC(=O)c1ccc(NCC2([NH3+])CCC2)nc1 ZINC000236183281 181298943 /nfs/dbraw/zinc/29/89/43/181298943.db2.gz CLXDNHQNSKQYCQ-UHFFFAOYSA-N 1 0 220.276 0.474 10 0 BCAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)N(C)C ZINC000136074436 358861439 /nfs/dbraw/zinc/86/14/39/358861439.db2.gz UVJJIXMEHSHJJN-NWDGAFQWSA-N 1 0 239.363 0.633 10 0 BCAERO CC[N@@H+]1CCC[C@H](NCc2cn(C)nn2)C1 ZINC000054860813 358877644 /nfs/dbraw/zinc/87/76/44/358877644.db2.gz XQMVXJWCDODQRS-JTQLQIEISA-N 1 0 223.324 0.389 10 0 BCAERO CN1C(=O)C[C@@H](C[NH3+])[C@@H]1c1ccncc1 ZINC000383970696 358904583 /nfs/dbraw/zinc/90/45/83/358904583.db2.gz FHRVACOAZZOVTQ-ONGXEEELSA-N 1 0 205.261 0.560 10 0 BCAERO CNC(=S)N[C@@H]1CCC[N@H+](C)[C@@H]1C ZINC000306161968 358964868 /nfs/dbraw/zinc/96/48/68/358964868.db2.gz QIFZFJGJPGQDPD-HTQZYQBOSA-N 1 0 201.339 0.563 10 0 BCAERO O[C@@H]1C[NH2+]CCN(C/C(Cl)=C/Cl)C1 ZINC000306161876 358966688 /nfs/dbraw/zinc/96/66/88/358966688.db2.gz WAEGXBHSRXZTPL-LSFDQVSLSA-N 1 0 225.119 0.572 10 0 BCAERO [NH2+]=C1NC[C@@H](c2ccc(Br)cn2)N1 ZINC000130230314 358967793 /nfs/dbraw/zinc/96/77/93/358967793.db2.gz IHZNHHAPESPWLP-ZETCQYMHSA-N 1 0 241.092 0.803 10 0 BCAERO C[C@@H]1SCC[C@@H]1N1C[C@H]([NH3+])CC1=O ZINC000306167494 358977151 /nfs/dbraw/zinc/97/71/51/358977151.db2.gz DBQHLSWEQIUKIO-RNJXMRFFSA-N 1 0 200.307 0.440 10 0 BCAERO NNc1[nH+]cc(C(N)=O)cc1Br ZINC000306157466 358949476 /nfs/dbraw/zinc/94/94/76/358949476.db2.gz BXNLQZUCRSUAIH-UHFFFAOYSA-N 1 0 231.053 0.229 10 0 BCAERO CS[C@@H]1CC[C@@H](N2C[C@H]([NH3+])C2=O)C1 ZINC000300378053 358978306 /nfs/dbraw/zinc/97/83/06/358978306.db2.gz AUEXYPIGULSHAY-PRJMDXOYSA-N 1 0 200.307 0.440 10 0 BCAERO CS(C)(=O)=NC(=O)C1=CC[C@@H]([NH3+])C1 ZINC000306193268 359020605 /nfs/dbraw/zinc/02/06/05/359020605.db2.gz UJOBRRPKYLKSTI-RNFRBKRXSA-N 1 0 202.279 0.144 10 0 BCAERO C[C@H](CO)[N@@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000306195911 359023900 /nfs/dbraw/zinc/02/39/00/359023900.db2.gz PDSMFXKOTVLIAR-RQJHMYQMSA-N 1 0 213.199 0.366 10 0 BCAERO COC1(C)CCN(C(=O)[C@H](C)[NH3+])CC1 ZINC000306197519 359025545 /nfs/dbraw/zinc/02/55/45/359025545.db2.gz QDYJAPAHMTYCKG-QMMMGPOBSA-N 1 0 200.282 0.361 10 0 BCAERO COCCOCC[N@@H+]1CCC[C@@H]1CCCO ZINC000070029825 359040340 /nfs/dbraw/zinc/04/03/40/359040340.db2.gz WYKUTEKXWOSVHO-GFCCVEGCSA-N 1 0 231.336 0.886 10 0 BCAERO ClC1(Cl)C[C@H]1CNC1=[NH+]CCN1 ZINC000306173275 358980516 /nfs/dbraw/zinc/98/05/16/358980516.db2.gz FQGFODIBKKQLRL-YFKPBYRVSA-N 1 0 208.092 0.729 10 0 BCAERO COc1ncc([C@@H]2OCC[C@H]2[NH3+])s1 ZINC000306177917 358988525 /nfs/dbraw/zinc/98/85/25/358988525.db2.gz XYQSHZKTFMCLNR-IYSWYEEDSA-N 1 0 200.263 0.940 10 0 BCAERO CN1CC[C@@H]([NH2+]CC2OCCCO2)C1 ZINC000306178673 358991271 /nfs/dbraw/zinc/99/12/71/358991271.db2.gz HNDRJOAONKVUIV-SECBINFHSA-N 1 0 200.282 0.043 10 0 BCAERO CCNC(=O)CN1CC[N@@H+]2CCCC[C@H]2C1 ZINC000247013367 359184367 /nfs/dbraw/zinc/18/43/67/359184367.db2.gz XOTWGJSAWMZCBG-NSHDSACASA-N 1 0 225.336 0.293 10 0 BCAERO O=C1OCC[C@@H]1N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000247038789 359186887 /nfs/dbraw/zinc/18/68/87/359186887.db2.gz DPKGGSFETOWQPA-ZJUUUORDSA-N 1 0 210.277 0.082 10 0 BCAERO CC[C@@H](C)CS(=O)(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000247089048 359193630 /nfs/dbraw/zinc/19/36/30/359193630.db2.gz IBXATJYGTZPFOA-GHMZBOCLSA-N 1 0 248.392 0.998 10 0 BCAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1nccc(N)n1 ZINC000246809937 359166134 /nfs/dbraw/zinc/16/61/34/359166134.db2.gz NHAZSJLUZVAEBU-MNOVXSKESA-N 1 0 247.346 0.727 10 0 BCAERO c1cc(CN2CC[C@H]3OCC[NH2+][C@@H]3C2)ccn1 ZINC000404193167 359170169 /nfs/dbraw/zinc/17/01/69/359170169.db2.gz LYPAXOUGSCJIOV-CHWSQXEVSA-N 1 0 233.315 0.644 10 0 BCAERO CC[C@H](O)CN1CCO[C@@H](C[NH+](C)C)C1 ZINC000247815149 359245484 /nfs/dbraw/zinc/24/54/84/359245484.db2.gz WCDANRMMEDKGPO-QWRGUYRKSA-N 1 0 216.325 0.020 10 0 BCAERO CCC[N@@H+]1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000247157585 359197265 /nfs/dbraw/zinc/19/72/65/359197265.db2.gz LZLLHLJFNSDPPW-QWRGUYRKSA-N 1 0 200.326 0.783 10 0 BCAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1CCS(C)(=O)=O ZINC000247243732 359203423 /nfs/dbraw/zinc/20/34/23/359203423.db2.gz NFHOMBWSXQIDMM-MNOVXSKESA-N 1 0 246.376 0.200 10 0 BCAERO C[C@]1(CNC(=O)C(F)F)CCCC[NH2+]1 ZINC000306207717 359299785 /nfs/dbraw/zinc/29/97/85/359299785.db2.gz DBSRSKWJSQKHRU-SECBINFHSA-N 1 0 206.236 0.900 10 0 BCAERO CNC(=S)N(C)[C@@H]1C[NH+]2CCC1CC2 ZINC000306213497 359307452 /nfs/dbraw/zinc/30/74/52/359307452.db2.gz XGHHXHMVVJAVOH-SECBINFHSA-N 1 0 213.350 0.517 10 0 BCAERO C[C@H]1CN(c2cc(CO)ccn2)C[C@H]1[NH+](C)C ZINC000251885921 359309218 /nfs/dbraw/zinc/30/92/18/359309218.db2.gz VDTWLIGNHNJJDX-CMPLNLGQSA-N 1 0 235.331 0.960 10 0 BCAERO C[C@H](CCCCO)[NH2+][C@@H]1CCCNC1=O ZINC000308888074 491139783 /nfs/dbraw/zinc/13/97/83/491139783.db2.gz WMQKZUUBGDKTBP-NXEZZACHSA-N 1 0 214.309 0.406 10 0 BCAERO C[C@@H]1OCC[C@@H]1[S@](=O)C[C@@H]1CCC[NH2+]1 ZINC000306230243 359365433 /nfs/dbraw/zinc/36/54/33/359365433.db2.gz ZBASWFBPKYOZJD-RUMNANIHSA-N 1 0 217.334 0.665 10 0 BCAERO C[C@H]1CCN(Cc2csnn2)C[C@@H]1[NH3+] ZINC000306217932 359329880 /nfs/dbraw/zinc/32/98/80/359329880.db2.gz DRRRKTJSQQUNSG-CBAPKCEASA-N 1 0 212.322 0.707 10 0 BCAERO Cc1cccnc1CN1CC[C@H]2OCC[NH2+][C@@H]2C1 ZINC000404279411 359415852 /nfs/dbraw/zinc/41/58/52/359415852.db2.gz UODFJKDCQQMPAT-ZIAGYGMSSA-N 1 0 247.342 0.953 10 0 BCAERO O[C@]1(Cc2csnn2)CCC[NH2+]CC1 ZINC000306241883 359417623 /nfs/dbraw/zinc/41/76/23/359417623.db2.gz SKFBAZMNNLFOCM-SECBINFHSA-N 1 0 213.306 0.585 10 0 BCAERO CN1CC[C@@H]([NH2+]C[C@]2(O)CCSC2)C1 ZINC000306237662 359397856 /nfs/dbraw/zinc/39/78/56/359397856.db2.gz IJCXQTIOKXXZBP-NXEZZACHSA-N 1 0 216.350 0.148 10 0 BCAERO C[C@@H]1OCC[C@H]1[NH2+]CC1(C)OCCO1 ZINC000306248888 359446124 /nfs/dbraw/zinc/44/61/24/359446124.db2.gz QTMIADKUWOUFFJ-DTWKUNHWSA-N 1 0 201.266 0.516 10 0 BCAERO CN1CC[C@@H]([NH2+][C@H]2CSC2(C)C)C1=O ZINC000306250774 359455539 /nfs/dbraw/zinc/45/55/39/359455539.db2.gz SHZWYLXZQGXFJV-SFYZADRCSA-N 1 0 214.334 0.701 10 0 BCAERO C[C@H]1C[NH2+]CC[C@@]1(O)Cc1csnn1 ZINC000306250769 359455744 /nfs/dbraw/zinc/45/57/44/359455744.db2.gz ZHKCFPLKZIWXHP-IONNQARKSA-N 1 0 213.306 0.441 10 0 BCAERO [NH2+]=C(NCc1ccccc1)N[C@@H]1COC[C@@H]1O ZINC000306270724 359502962 /nfs/dbraw/zinc/50/29/62/359502962.db2.gz QFDORQDYDAJTPQ-MNOVXSKESA-N 1 0 235.287 0.060 10 0 BCAERO CC(C)[C@H]([NH3+])CN1CCC[S@@](=O)CC1 ZINC000306262783 359482630 /nfs/dbraw/zinc/48/26/30/359482630.db2.gz ZMAIORMFAIFVKQ-QMTHXVAHSA-N 1 0 218.366 0.424 10 0 BCAERO CC(C)n1cc(C[NH2+][C@H]2CCOC[C@@H]2O)cn1 ZINC000623764445 359486492 /nfs/dbraw/zinc/48/64/92/359486492.db2.gz FBDGWBJZHVJPND-RYUDHWBXSA-N 1 0 239.319 0.703 10 0 BCAERO [NH2+]=C(NCc1ccccc1)N[C@H]1CNC(=O)C1 ZINC000306270529 359491486 /nfs/dbraw/zinc/49/14/86/359491486.db2.gz UKBAAOIVGQWYJM-SNVBAGLBSA-N 1 0 232.287 0.189 10 0 BCAERO CCN(CC(=O)OC)C(=O)[C@H]1CCC[NH2+][C@H]1C ZINC000423750243 192827991 /nfs/dbraw/zinc/82/79/91/192827991.db2.gz XHNZAFITTDTYLE-UWVGGRQHSA-N 1 0 242.319 0.396 10 0 BCAERO COC(C)(C)CN(C)C(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000404333980 359578221 /nfs/dbraw/zinc/57/82/21/359578221.db2.gz DUZXZWCPCNPGFW-ZJUUUORDSA-N 1 0 228.336 0.997 10 0 BCAERO O[C@H]1COCC[C@H]1[NH2+]Cc1[nH]nc2ccccc21 ZINC000623765153 359642211 /nfs/dbraw/zinc/64/22/11/359642211.db2.gz OLZPFUCBEKALFQ-YPMHNXCESA-N 1 0 247.298 0.802 10 0 BCAERO COc1ccccc1C[NH2+][C@@H]1CCOC[C@@H]1O ZINC000623764599 359625169 /nfs/dbraw/zinc/62/51/69/359625169.db2.gz HLEWBCZVRHZWML-NEPJUHHUSA-N 1 0 237.299 0.935 10 0 BCAERO CCc1nc(C[NH2+][C@H]2CCOC[C@@H]2O)cs1 ZINC000623765052 359639893 /nfs/dbraw/zinc/63/98/93/359639893.db2.gz NCSDRWBFRXNMQM-UWVGGRQHSA-N 1 0 242.344 0.945 10 0 BCAERO Cn1ncc(Br)c1CN1CC([NH3+])C1 ZINC000306349740 359668422 /nfs/dbraw/zinc/66/84/22/359668422.db2.gz MNCTXFOXWXVXSO-UHFFFAOYSA-N 1 0 245.124 0.326 10 0 BCAERO CNC(=S)N[C@H]1CC[C@H]([NH+](C)C)C1 ZINC000306390036 359747069 /nfs/dbraw/zinc/74/70/69/359747069.db2.gz XVKZXUYNPJXACS-YUMQZZPRSA-N 1 0 201.339 0.563 10 0 BCAERO C[C@@H]([NH3+])[C@H]1CN(c2ncns2)CCO1 ZINC000169202356 359775296 /nfs/dbraw/zinc/77/52/96/359775296.db2.gz UXCCZHLTIAHTGK-RNFRBKRXSA-N 1 0 214.294 0.091 10 0 BCAERO C[C@H]([NH3+])[C@H]1CN(c2nncs2)CCO1 ZINC000169206985 359775901 /nfs/dbraw/zinc/77/59/01/359775901.db2.gz OVNHPXDACBCULY-NKWVEPMBSA-N 1 0 214.294 0.091 10 0 BCAERO CS(C)(=O)=NC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000306402720 359784551 /nfs/dbraw/zinc/78/45/51/359784551.db2.gz RHICUOVRKNAUMH-RQJHMYQMSA-N 1 0 204.295 0.368 10 0 BCAERO CC(C)[NH2+][C@@H]1CCN(S(C)(=O)=O)C[C@@H]1C ZINC000309086047 491144272 /nfs/dbraw/zinc/14/42/72/491144272.db2.gz XTFQUDCHFDUQNX-VHSXEESVSA-N 1 0 234.365 0.654 10 0 BCAERO C/C(=C\Cl)C[N@@H+]1C[C@H](O)[C@H](CO)C1 ZINC000306462481 360074250 /nfs/dbraw/zinc/07/42/50/360074250.db2.gz HPNALHSFDOMDKT-FXOABRIKSA-N 1 0 205.685 0.414 10 0 BCAERO COC(=O)c1cncc(NC[C@@H]([NH3+])C(C)C)n1 ZINC000091418659 360114790 /nfs/dbraw/zinc/11/47/90/360114790.db2.gz JORDATXSUNSUNB-MRVPVSSYSA-N 1 0 238.291 0.658 10 0 BCAERO C[C@H]1C[NH2+]C[C@H](C)N1Cc1cnns1 ZINC000306478120 360125249 /nfs/dbraw/zinc/12/52/49/360125249.db2.gz ZGKHHADXAPPBRC-YUMQZZPRSA-N 1 0 212.322 0.720 10 0 BCAERO CC(C)[C@@H]([NH3+])CN1CCC[S@@](=O)CC1 ZINC000306493720 360216010 /nfs/dbraw/zinc/21/60/10/360216010.db2.gz ZMAIORMFAIFVKQ-IINYFYTJSA-N 1 0 218.366 0.424 10 0 BCAERO OC[C@H]1C[C@H]1[NH2+]C1CCC2(CC1)OCCO2 ZINC000306493890 360216726 /nfs/dbraw/zinc/21/67/26/360216726.db2.gz SRZISJBGNRZNRU-MWLCHTKSSA-N 1 0 227.304 0.643 10 0 BCAERO COc1ncc([C@@]2(O)CC[C@@H]([NH3+])C2)s1 ZINC000306496312 360224524 /nfs/dbraw/zinc/22/45/24/360224524.db2.gz XJAPCKVOYOZNPS-HZGVNTEJSA-N 1 0 214.290 0.851 10 0 BCAERO [NH3+][C@H]1COC[C@H]1N1C(=O)c2ccccc2C1=O ZINC000306498629 360251422 /nfs/dbraw/zinc/25/14/22/360251422.db2.gz FWBSDTUVUTZJCB-VHSXEESVSA-N 1 0 232.239 0.009 10 0 BCAERO [NH2+]=C(NO)NC1C[C@H]2CC[C@@H](C1)S2 ZINC000403822600 360294964 /nfs/dbraw/zinc/29/49/64/360294964.db2.gz QZZUBGOSONVTDH-DGUCWDHESA-N 1 0 201.295 0.916 10 0 BCAERO C[C@H]1C[NH2+]CCN(C(=O)C(F)(F)F)C1 ZINC000306504530 360302688 /nfs/dbraw/zinc/30/26/88/360302688.db2.gz ZSWGVQZYBPFAAG-LURJTMIESA-N 1 0 210.199 0.617 10 0 BCAERO CCCNC(=O)CC[NH2+]Cc1cnn(C)c1C ZINC000093650208 360267461 /nfs/dbraw/zinc/26/74/61/360267461.db2.gz UTSWYIFFWQXRDV-UHFFFAOYSA-N 1 0 238.335 0.734 10 0 BCAERO C[C@@H]1CN([C@@H]2CC[C@H]([NH3+])C2)S(=O)(=O)C1 ZINC000306532655 360392181 /nfs/dbraw/zinc/39/21/81/360392181.db2.gz BYAAQEDPEBKORA-HRDYMLBCSA-N 1 0 218.322 0.148 10 0 BCAERO C[C@H](c1nc([C@H](C)[NH3+])c[nH]1)S(C)(=O)=O ZINC000306536711 360395926 /nfs/dbraw/zinc/39/59/26/360395926.db2.gz HOSFPRGCUHSAKC-NTSWFWBYSA-N 1 0 217.294 0.535 10 0 BCAERO O=[S@](c1cccs1)[C@H]1C[NH2+]C[C@H]1O ZINC000306521062 360358218 /nfs/dbraw/zinc/35/82/18/360358218.db2.gz FMYWQUPXUCDFJS-HHSDFAELSA-N 1 0 217.315 0.188 10 0 BCAERO NC(=O)c1ccc(OC[C@@H]2CCCC[NH2+]2)nc1 ZINC000051883425 181301088 /nfs/dbraw/zinc/30/10/88/181301088.db2.gz BZCRZBKAQDBRHY-JTQLQIEISA-N 1 0 235.287 0.701 10 0 BCAERO C[C@H]1CC[N@@H+]([C@H](C[NH3+])C(=O)[O-])CCS1 ZINC000306568751 360450344 /nfs/dbraw/zinc/45/03/44/360450344.db2.gz VINMHLGDGSBRGO-JGVFFNPUSA-N 1 0 218.322 0.226 10 0 BCAERO FC(F)c1nccnc1OC1C[NH2+]C1 ZINC000306549892 360419581 /nfs/dbraw/zinc/41/95/81/360419581.db2.gz DYMUNHFBIMKSRE-UHFFFAOYSA-N 1 0 201.176 0.765 10 0 BCAERO C[C@H]([NH2+]C1CC1)C(=O)Nc1nnns1 ZINC000306552404 360425811 /nfs/dbraw/zinc/42/58/11/360425811.db2.gz GHARVWXTAZXYMA-BYPYZUCNSA-N 1 0 213.266 0.012 10 0 BCAERO Cn1cc(C(=O)C[C@H]2CCC[NH2+]C2)nn1 ZINC000306588477 360492365 /nfs/dbraw/zinc/49/23/65/360492365.db2.gz VRBVQAPWPMJEAZ-MRVPVSSYSA-N 1 0 208.265 0.388 10 0 BCAERO C[C@H]1CC[C@H](C(=O)c2cn(C)nn2)C[NH2+]1 ZINC000306590120 360493155 /nfs/dbraw/zinc/49/31/55/360493155.db2.gz XQFOMGBKTJAKTH-YUMQZZPRSA-N 1 0 208.265 0.386 10 0 BCAERO C[C@@H]1C[C@H](C)N([S@](C)=O)C[C@@H]1C[NH3+] ZINC000306589151 360494214 /nfs/dbraw/zinc/49/42/14/360494214.db2.gz WRHAJRUIXHLJEB-LWIGBJQBSA-N 1 0 204.339 0.585 10 0 BCAERO C[S@](=O)CCN1CCC[C@@H]2C[NH2+]C[C@@H]21 ZINC000306589616 360494484 /nfs/dbraw/zinc/49/44/84/360494484.db2.gz ULKPAKIADBEAKE-BFVZDQMLSA-N 1 0 216.350 0.049 10 0 BCAERO C[C@@H]1CC[C@H]([NH3+])CN1S(=O)(=O)C(F)F ZINC000306579029 360466610 /nfs/dbraw/zinc/46/66/10/360466610.db2.gz MPLQVHYNDNZIHP-RITPCOANSA-N 1 0 228.264 0.350 10 0 BCAERO CC[N@@H+]1C[C@H](C)[C@H](NCc2cn(C)nn2)C1 ZINC000309489824 491149613 /nfs/dbraw/zinc/14/96/13/491149613.db2.gz WTZOMFMYBXWPSK-GXSJLCMTSA-N 1 0 223.324 0.245 10 0 BCAERO COC1(OC)CN([C@@H]2C[NH2+][C@H](C)C2)C1 ZINC000306594700 360513137 /nfs/dbraw/zinc/51/31/37/360513137.db2.gz XMEGRFQDPYXHFO-BDAKNGLRSA-N 1 0 200.282 0.042 10 0 BCAERO C[C@@H](O)C[N@H+](C)[C@H]1CC[NH2+]CC1(C)C ZINC000300811064 360517018 /nfs/dbraw/zinc/51/70/18/360517018.db2.gz HDCUBOFKCNOEEC-ZJUUUORDSA-N 1 0 200.326 0.687 10 0 BCAERO CC[N@@H+]1C[C@@H](C)[C@@H](NCc2cn(C)nn2)C1 ZINC000309489826 491149676 /nfs/dbraw/zinc/14/96/76/491149676.db2.gz WTZOMFMYBXWPSK-KOLCDFICSA-N 1 0 223.324 0.245 10 0 BCAERO C[C@H]1C[NH2+]C[C@]12CCCS(=O)(=O)C2 ZINC000306608614 360560727 /nfs/dbraw/zinc/56/07/27/360560727.db2.gz JIULBOGJYJBAPD-IUCAKERBSA-N 1 0 203.307 0.421 10 0 BCAERO Cc1cnc(C(=O)N[C@@H]2CCCC[C@@H]2[NH3+])cn1 ZINC000038049016 219820699 /nfs/dbraw/zinc/82/06/99/219820699.db2.gz FIXXPUJAEOHVEC-VHSXEESVSA-N 1 0 234.303 0.785 10 0 BCAERO NC(=O)c1cccc(C(=O)NC[C@@H]2CC[NH2+]C2)c1 ZINC000133670212 181302645 /nfs/dbraw/zinc/30/26/45/181302645.db2.gz LSQCFSNKNLOSBK-SECBINFHSA-N 1 0 247.298 0.125 10 0 BCAERO NC(=O)c1cccc(COC[C@H]2CC[NH2+]C2)c1 ZINC000051888259 181303102 /nfs/dbraw/zinc/30/31/02/181303102.db2.gz SIQABADZMFKJOR-NSHDSACASA-N 1 0 234.299 0.912 10 0 BCAERO NC(=O)c1cccc(CO[C@H]2CC[NH2+]C2)c1 ZINC000051782300 181303375 /nfs/dbraw/zinc/30/33/75/181303375.db2.gz PQIMEUVGFFGZOT-NSHDSACASA-N 1 0 220.272 0.664 10 0 BCAERO NC(=O)c1cccc(COC[C@@H]2CC[NH2+]C2)c1 ZINC000051888258 181303838 /nfs/dbraw/zinc/30/38/38/181303838.db2.gz SIQABADZMFKJOR-LLVKDONJSA-N 1 0 234.299 0.912 10 0 BCAERO NC(=O)c1ccnc(NCC[C@@H]2CCC[NH2+]C2)c1 ZINC000104364479 181307281 /nfs/dbraw/zinc/30/72/81/181307281.db2.gz DIJWZXJDJGOBBS-JTQLQIEISA-N 1 0 248.330 0.982 10 0 BCAERO NC(=O)c1cccnc1O[C@H]1CCC[NH2+]C1 ZINC000051872411 181307172 /nfs/dbraw/zinc/30/71/72/181307172.db2.gz BMWRMIMLXDYTGG-QMMMGPOBSA-N 1 0 221.260 0.311 10 0 BCAERO NC(=[NH2+])NN=Cc1cc(Br)co1 ZINC000379360871 360756818 /nfs/dbraw/zinc/75/68/18/360756818.db2.gz BSXFHOOBVNSENU-UHFFFAOYSA-N 1 0 231.053 0.859 10 0 BCAERO NC(=O)c1cccnc1OC[C@@H]1CC[NH2+]C1 ZINC000051889032 181307741 /nfs/dbraw/zinc/30/77/41/181307741.db2.gz AFLXDIJJZXXFHD-MRVPVSSYSA-N 1 0 221.260 0.169 10 0 BCAERO NC(=O)c1cccnc1OC1CC[NH2+]CC1 ZINC000051865392 181307818 /nfs/dbraw/zinc/30/78/18/181307818.db2.gz GJLCESDZSSZVKO-UHFFFAOYSA-N 1 0 221.260 0.311 10 0 BCAERO C[NH2+]C[C@H](C)C(=O)N1CCS[C@@H](C)C1 ZINC000155693267 360912034 /nfs/dbraw/zinc/91/20/34/360912034.db2.gz XMRBDVXVEGOEGK-IUCAKERBSA-N 1 0 216.350 0.806 10 0 BCAERO CS(=O)(=O)Nc1ccc(NC(N)=[NH2+])cc1 ZINC000238372339 360978389 /nfs/dbraw/zinc/97/83/89/360978389.db2.gz SCPJPDXOWPNADW-UHFFFAOYSA-N 1 0 228.277 0.363 10 0 BCAERO CC(C)(O)C[NH2+][C@@H]1CCN(C2CCC2)C1=O ZINC000629273366 360986240 /nfs/dbraw/zinc/98/62/40/360986240.db2.gz STZCDQXMJISMNW-SNVBAGLBSA-N 1 0 226.320 0.500 10 0 BCAERO CC(C)(O)C[NH2+][C@@H]1CCC[C@]1(C)CO ZINC000379582997 361107745 /nfs/dbraw/zinc/10/77/45/361107745.db2.gz MRDYBKNPZNJTGL-MWLCHTKSSA-N 1 0 201.310 0.898 10 0 BCAERO C[C@@H]1CC[NH2+][C@H](CCS(C)(=O)=O)C1 ZINC000069940530 361162529 /nfs/dbraw/zinc/16/25/29/361162529.db2.gz DCNLGYISHKQOCQ-RKDXNWHRSA-N 1 0 205.323 0.809 10 0 BCAERO CC[S@](=O)N1CCC[C@@H]2C[NH2+]C[C@H]21 ZINC000306614638 361143252 /nfs/dbraw/zinc/14/32/52/361143252.db2.gz APVCRUDEVBWOOE-KKFJDGPESA-N 1 0 202.323 0.354 10 0 BCAERO [NH3+]C1(C(=O)N2CCC(CO)CC2)CCCC1 ZINC000037479437 181324523 /nfs/dbraw/zinc/32/45/23/181324523.db2.gz XPHCJSDADKXVRE-UHFFFAOYSA-N 1 0 226.320 0.489 10 0 BCAERO [NH3+]C1(C(=O)N2CCC[C@H](O)C2)CCCC1 ZINC000037654867 181324621 /nfs/dbraw/zinc/32/46/21/181324621.db2.gz LAFJNWZTLYNKJL-VIFPVBQESA-N 1 0 212.293 0.241 10 0 BCAERO [NH3+]C1(C(=O)N2CCCC[C@@H]2CO)CCCC1 ZINC000037479526 181324689 /nfs/dbraw/zinc/32/46/89/181324689.db2.gz LJGHRFOENNKBMZ-SNVBAGLBSA-N 1 0 226.320 0.631 10 0 BCAERO [NH3+]C1(C(=O)NC[C@@H]2CCOC2)CCCCC1 ZINC000037739094 181325419 /nfs/dbraw/zinc/32/54/19/181325419.db2.gz UKOAZGJKVQASEW-JTQLQIEISA-N 1 0 226.320 0.801 10 0 BCAERO [NH3+]C1(C(=O)NCCc2ccc(O)cc2)CC1 ZINC000083350435 181325898 /nfs/dbraw/zinc/32/58/98/181325898.db2.gz DURXCCCWBDXPTG-UHFFFAOYSA-N 1 0 220.272 0.542 10 0 BCAERO O[C@H]1CON(CC[NH+]2CCCCC2)C1 ZINC000306620505 361203944 /nfs/dbraw/zinc/20/39/44/361203944.db2.gz WZCFHUCDUITZBG-SNVBAGLBSA-N 1 0 200.282 0.080 10 0 BCAERO CC(C)(C)c1noc([C@H]2C[C@@H](O)C[NH2+]2)n1 ZINC000159078052 361220013 /nfs/dbraw/zinc/22/00/13/361220013.db2.gz HVYPARWPUCTOBC-RNFRBKRXSA-N 1 0 211.265 0.762 10 0 BCAERO CC(C)OCCCN1CC[C@H]2OCC[NH2+][C@H]2C1 ZINC000578994516 366689812 /nfs/dbraw/zinc/68/98/12/366689812.db2.gz RBAUZFOTSCJQDN-QWHCGFSZSA-N 1 0 242.363 0.864 10 0 BCAERO [NH3+]C1(C(=O)NC[C@H]2CCOC2)CCCC1 ZINC000037739047 181328218 /nfs/dbraw/zinc/32/82/18/181328218.db2.gz MFSPTRJRCRUSJW-SECBINFHSA-N 1 0 212.293 0.411 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)N1CCC(O)(CC)CC1 ZINC000579019570 366697899 /nfs/dbraw/zinc/69/78/99/366697899.db2.gz VNKFFFXHCJXMCT-SNVBAGLBSA-N 1 0 228.336 0.877 10 0 BCAERO O=C(NC[C@H]1CCC[NH2+]1)[C@@H]1CCSC1 ZINC000069986728 361322440 /nfs/dbraw/zinc/32/24/40/361322440.db2.gz BPVVGFFYJVUKRM-RKDXNWHRSA-N 1 0 214.334 0.608 10 0 BCAERO O=C(N[C@@H]1CC[NH2+]C1)[C@H]1CCSC1 ZINC000069986697 361322677 /nfs/dbraw/zinc/32/26/77/361322677.db2.gz ZCKSPKKJPRXVRM-JGVFFNPUSA-N 1 0 200.307 0.218 10 0 BCAERO [NH3+]C1(C(=O)Nc2ccc(O)cc2)CCOCC1 ZINC000127787684 181329637 /nfs/dbraw/zinc/32/96/37/181329637.db2.gz ILUHINFDXXQESQ-UHFFFAOYSA-N 1 0 236.271 0.839 10 0 BCAERO [NH3+]C1(c2nc(-c3nnc4n3CCC4)c[nH]2)CCC1 ZINC000037605135 181335387 /nfs/dbraw/zinc/33/53/87/181335387.db2.gz FQFJBINADIEFTK-UHFFFAOYSA-N 1 0 244.302 0.952 10 0 BCAERO C[C@](O)(C[NH2+][C@@H]1CCOC[C@@H]1O)C(F)(F)F ZINC000629608376 361496034 /nfs/dbraw/zinc/49/60/34/361496034.db2.gz GUESHURBDIXYIO-CSMHCCOUSA-N 1 0 243.225 0.039 10 0 BCAERO C[C@H]1[C@H](O)CCC[N@@H+]1CCCN1CCOCC1 ZINC000448549105 201214912 /nfs/dbraw/zinc/21/49/12/201214912.db2.gz UXCZSADUOQJDPM-QWHCGFSZSA-N 1 0 242.363 0.554 10 0 BCAERO [NH3+]C1CC(NC(=O)c2[nH]nc3ccccc32)C1 ZINC000036256617 181340315 /nfs/dbraw/zinc/34/03/15/181340315.db2.gz PPRUOGGIAYMHCQ-UHFFFAOYSA-N 1 0 230.271 0.782 10 0 BCAERO [NH3+]C1CCC(C(=O)NC[C@@H]2CCCO2)CC1 ZINC000037481822 181340004 /nfs/dbraw/zinc/34/00/04/181340004.db2.gz ZHDFNUYCXAHJIQ-ILDUYXDCSA-N 1 0 226.320 0.799 10 0 BCAERO [NH3+]C1CCC(C(=O)N2CC[C@@H](O)C2)CC1 ZINC000061712333 181340478 /nfs/dbraw/zinc/34/04/78/181340478.db2.gz IGYIALBESSBTKC-UDNWOFFPSA-N 1 0 212.293 0.097 10 0 BCAERO [NH3+]C1CC(NC(=O)[C@@H]2OCCc3ccccc32)C1 ZINC000037927096 181340492 /nfs/dbraw/zinc/34/04/92/181340492.db2.gz AHKDXZLTXFHQSL-GCZXYKMCSA-N 1 0 246.310 0.906 10 0 BCAERO [NH3+]C1CCC(CC(=O)N2CCC[C@H]2CO)CC1 ZINC000055139888 181341051 /nfs/dbraw/zinc/34/10/51/181341051.db2.gz YGJXHDWKPMBYFI-MCIGGMRASA-N 1 0 240.347 0.877 10 0 BCAERO [NH3+]C1CCC(S(=O)(=O)C2CCOCC2)CC1 ZINC000062053728 181342136 /nfs/dbraw/zinc/34/21/36/181342136.db2.gz UTVYLSFPWQIUOW-UHFFFAOYSA-N 1 0 247.360 0.850 10 0 BCAERO CC1(C)CC[C@H]([NH3+])[C@@H](S(C)(=O)=O)C1 ZINC000070623302 361666862 /nfs/dbraw/zinc/66/68/62/361666862.db2.gz INVDPEGLGIFOCU-YUMQZZPRSA-N 1 0 205.323 0.937 10 0 BCAERO CC1(C)CC[C@H]([NH3+])[C@H](S(C)(=O)=O)C1 ZINC000070623300 361667362 /nfs/dbraw/zinc/66/73/62/361667362.db2.gz INVDPEGLGIFOCU-JGVFFNPUSA-N 1 0 205.323 0.937 10 0 BCAERO CCN1CCO[C@H](C[NH2+]CC(C)(C)COC)C1 ZINC000310080546 491160065 /nfs/dbraw/zinc/16/00/65/491160065.db2.gz CQIKXWXBHFIHMC-GFCCVEGCSA-N 1 0 244.379 0.969 10 0 BCAERO CCn1c(C)nnc1CN1CC[NH+](C)CC1 ZINC000154660610 201287781 /nfs/dbraw/zinc/28/77/81/201287781.db2.gz VNQCGFTWJQCXSW-UHFFFAOYSA-N 1 0 223.324 0.354 10 0 BCAERO O=S1(=O)CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000070627827 361679904 /nfs/dbraw/zinc/67/99/04/361679904.db2.gz CUCCZZUSAVGRDU-RKDXNWHRSA-N 1 0 203.307 0.421 10 0 BCAERO O=C1CC[C@H](C[NH2+][C@@H]2CCSC2)N1 ZINC000070628081 361681517 /nfs/dbraw/zinc/68/15/17/361681517.db2.gz NTLKENPTVGSXEW-HTQZYQBOSA-N 1 0 200.307 0.360 10 0 BCAERO Clc1cnn(C[C@H]2C[NH2+]CCO2)c1 ZINC000070649626 361695097 /nfs/dbraw/zinc/69/50/97/361695097.db2.gz GFKZVESGIDIKIK-MRVPVSSYSA-N 1 0 201.657 0.525 10 0 BCAERO Cc1csc(NC[C@@H]([NH3+])[C@@H](C)O)n1 ZINC000070648106 361696067 /nfs/dbraw/zinc/69/60/67/361696067.db2.gz OQBOJKBFDKEGEE-RNFRBKRXSA-N 1 0 201.295 0.572 10 0 BCAERO C[C@@H](O)[C@H]([NH3+])CNc1ncccc1Cl ZINC000070648162 361696202 /nfs/dbraw/zinc/69/62/02/361696202.db2.gz MPFVGKDGFPBAKC-HTRCEHHLSA-N 1 0 215.684 0.855 10 0 BCAERO NC(=S)[C@@H]1CCC[N@@H+]1[C@@H]1CCOC1 ZINC000070661963 361700887 /nfs/dbraw/zinc/70/08/87/361700887.db2.gz UVJBMMDPTFRXFT-SFYZADRCSA-N 1 0 200.307 0.526 10 0 BCAERO CS(=O)(=O)Nc1ccc(C(N)=[NH2+])cc1 ZINC000070660651 361701972 /nfs/dbraw/zinc/70/19/72/361701972.db2.gz FNTIAKRTDMKEGG-UHFFFAOYSA-N 1 0 213.262 0.342 10 0 BCAERO [NH3+]C1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)C(F)F ZINC000040749804 181345300 /nfs/dbraw/zinc/34/53/00/181345300.db2.gz HQPKNORXGABNCB-DGUCWDHESA-N 1 0 240.275 0.493 10 0 BCAERO CS(=O)(=O)C[C@@]1([NH3+])[C@@H]2CCCC[C@@H]21 ZINC000252580185 363894056 /nfs/dbraw/zinc/89/40/56/363894056.db2.gz PQOWNXZITYXMTQ-AYMMMOKOSA-N 1 0 203.307 0.549 10 0 BCAERO C[N@@H+]1CCCC[C@H]1CCS(N)(=O)=O ZINC000234370483 541301443 /nfs/dbraw/zinc/30/14/43/541301443.db2.gz LGSXZGFVBSRNQY-QMMMGPOBSA-N 1 0 206.311 0.149 10 0 BCAERO [NH3+]CC(=O)NCc1cc2c(s1)CCC2 ZINC000040627952 181354392 /nfs/dbraw/zinc/35/43/92/181354392.db2.gz SFHSFRGUWNGARI-UHFFFAOYSA-N 1 0 210.302 0.812 10 0 BCAERO Cc1cc(N2CCO[C@H]([C@@H](C)[NH3+])C2)nc(C)n1 ZINC000132992731 541326265 /nfs/dbraw/zinc/32/62/65/541326265.db2.gz KKINFMHLDANQFY-KOLCDFICSA-N 1 0 236.319 0.646 10 0 BCAERO [NH3+]CC(=O)NCc1ccc(O)cc1Cl ZINC000083348059 181354171 /nfs/dbraw/zinc/35/41/71/181354171.db2.gz NUHNQWJVZNKSRP-UHFFFAOYSA-N 1 0 214.652 0.621 10 0 BCAERO CCN(C)C(=O)N1C[C@@H](OC)C[C@]1(C)C[NH3+] ZINC000630368048 364084269 /nfs/dbraw/zinc/08/42/69/364084269.db2.gz PZPFRBPGWMWFHB-GXSJLCMTSA-N 1 0 229.324 0.496 10 0 BCAERO CCCCNC(=O)NC[C@H]([NH3+])[C@H]1CCOC1 ZINC000725255108 541332294 /nfs/dbraw/zinc/33/22/94/541332294.db2.gz SCFYDPSEBLLOLZ-UWVGGRQHSA-N 1 0 229.324 0.450 10 0 BCAERO CO[C@H]1C[N@H+](CC2CCOCC2)[C@](C)(C[NH3+])C1 ZINC000630363727 364078909 /nfs/dbraw/zinc/07/89/09/364078909.db2.gz QXJZYDPBPOEWBV-OLZOCXBDSA-N 1 0 242.363 0.851 10 0 BCAERO CO[C@@H]1C[N@H+](C[C@@H]2CCOC2)[C@@](C)(C[NH3+])C1 ZINC000630357861 364079672 /nfs/dbraw/zinc/07/96/72/364079672.db2.gz GAXFCQASWOPMKY-SDDRHHMPSA-N 1 0 228.336 0.461 10 0 BCAERO CCNC(=O)N1C[C@H](OC)C[C@@]1(C)C[NH3+] ZINC000630367734 364084796 /nfs/dbraw/zinc/08/47/96/364084796.db2.gz PMVKEBRPQODANS-SCZZXKLOSA-N 1 0 215.297 0.154 10 0 BCAERO [NH3+]CC(=O)Nc1ccc(Cn2cccn2)cc1 ZINC000037765629 181355152 /nfs/dbraw/zinc/35/51/52/181355152.db2.gz GFLQJSTWMHTQNV-UHFFFAOYSA-N 1 0 230.271 0.829 10 0 BCAERO Cc1ccc(C[NH3+])c2c1C[C@H](C(=O)[O-])[NH2+]C2 ZINC000725256028 541332784 /nfs/dbraw/zinc/33/27/84/541332784.db2.gz RVZMBQXMNYUSLM-LLVKDONJSA-N 1 0 220.272 0.553 10 0 BCAERO CO[C@@H]1CN(C(=O)[C@H]2CCCO2)[C@](C)(C[NH3+])C1 ZINC000630362812 364082123 /nfs/dbraw/zinc/08/21/23/364082123.db2.gz PXSKORZEZICCMY-UMNHJUIQSA-N 1 0 242.319 0.130 10 0 BCAERO CO[C@H]1CN(Cc2coc(C)n2)[C@@](C)(C[NH3+])C1 ZINC000630366780 364084955 /nfs/dbraw/zinc/08/49/55/364084955.db2.gz LPMMTIGMJIFQFF-VXGBXAGGSA-N 1 0 239.319 0.921 10 0 BCAERO CO[C@@H]1CN(Cc2ccon2)[C@](C)(C[NH3+])C1 ZINC000630362558 364082418 /nfs/dbraw/zinc/08/24/18/364082418.db2.gz OBNUGYWRHNRPJY-QWRGUYRKSA-N 1 0 225.292 0.613 10 0 BCAERO CCCOCC(=O)N1C[C@H](OC)C[C@]1(C)C[NH3+] ZINC000630367503 364084967 /nfs/dbraw/zinc/08/49/67/364084967.db2.gz CYXPQKRAUJGEEW-ZYHUDNBSSA-N 1 0 244.335 0.378 10 0 BCAERO [NH3+]CC(=O)Nc1cc(Br)c[nH]c1=O ZINC000307629664 181355219 /nfs/dbraw/zinc/35/52/19/181355219.db2.gz XQUXLDANLSOVPD-UHFFFAOYSA-N 1 0 246.064 0.447 10 0 BCAERO CCCCNC(=O)N1C[C@H](OC)C[C@]1(C)C[NH3+] ZINC000630365550 364083183 /nfs/dbraw/zinc/08/31/83/364083183.db2.gz IQPNJXHQBBOYOE-ZYHUDNBSSA-N 1 0 243.351 0.934 10 0 BCAERO CO[C@@H]1CN(C(=O)C(C)C)[C@](C)(C[NH3+])C1 ZINC000630365856 364083441 /nfs/dbraw/zinc/08/34/41/364083441.db2.gz ZBTOTUFPGOTYQV-ONGXEEELSA-N 1 0 214.309 0.607 10 0 BCAERO CCCNC(=O)NC[C@H]([NH3+])[C@@H]1CCOC1 ZINC000725254942 541331928 /nfs/dbraw/zinc/33/19/28/541331928.db2.gz KXOOJKCKEQMDJB-BDAKNGLRSA-N 1 0 215.297 0.059 10 0 BCAERO CO[C@H]1CN(C(=O)C2CC(C)C2)[C@@](C)(C[NH3+])C1 ZINC000630370875 364087143 /nfs/dbraw/zinc/08/71/43/364087143.db2.gz HPFUTHDYSMUOQY-FFJHZOIPSA-N 1 0 240.347 0.997 10 0 BCAERO CO[C@H]1CN(C(=O)c2ccncc2)[C@](C)(C[NH3+])C1 ZINC000630369654 364087289 /nfs/dbraw/zinc/08/72/89/364087289.db2.gz BOTSRKQQZKXVRN-YPMHNXCESA-N 1 0 249.314 0.660 10 0 BCAERO CO[C@@H]1CN(C(=O)c2ccncc2)[C@@](C)(C[NH3+])C1 ZINC000630369653 364088090 /nfs/dbraw/zinc/08/80/90/364088090.db2.gz BOTSRKQQZKXVRN-WCQYABFASA-N 1 0 249.314 0.660 10 0 BCAERO CO[C@@H]1CN(C(=O)[C@@H](C)C2CC2)[C@](C)(C[NH3+])C1 ZINC000630372345 364089291 /nfs/dbraw/zinc/08/92/91/364089291.db2.gz WWLFXCYJJGJRAX-GAFUQQFSSA-N 1 0 240.347 0.997 10 0 BCAERO COc1cc(N2C[C@H](C)[C@@H](C[NH3+])C2)ncn1 ZINC000630386868 364101337 /nfs/dbraw/zinc/10/13/37/364101337.db2.gz ASWRBZMRVXYKNE-IUCAKERBSA-N 1 0 222.292 0.516 10 0 BCAERO [NH3+]CC(=O)Nc1ccc(-n2ccnc2)nc1 ZINC000037027592 181356127 /nfs/dbraw/zinc/35/61/27/181356127.db2.gz AUQCKABDJMGFLA-UHFFFAOYSA-N 1 0 217.232 0.165 10 0 BCAERO C[C@H](NC(=O)C[NH+](C)C)[C@@H]1CCCO1 ZINC000170754258 364165259 /nfs/dbraw/zinc/16/52/59/364165259.db2.gz UOJXNLPEWFJKTO-IUCAKERBSA-N 1 0 200.282 0.232 10 0 BCAERO COc1cccnc1NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000630514110 364198508 /nfs/dbraw/zinc/19/85/08/364198508.db2.gz VDEKPCMKGBSPJE-IUCAKERBSA-N 1 0 223.276 0.082 10 0 BCAERO [NH3+]CC1(C(=O)NC[C@@H]2CCC[C@H]2O)CCCC1 ZINC000123026564 181359179 /nfs/dbraw/zinc/35/91/79/181359179.db2.gz FRLBAAKJLYFOSH-WDEREUQCSA-N 1 0 240.347 0.783 10 0 BCAERO [NH3+]CC1(C(=O)N2CCn3ccnc3C2)CCCC1 ZINC000062252325 181358772 /nfs/dbraw/zinc/35/87/72/181358772.db2.gz ULBGCASFYWWXMQ-UHFFFAOYSA-N 1 0 248.330 0.744 10 0 BCAERO [NH3+]CC1(N2C(=O)c3cccnc3C2=O)CCCC1 ZINC000111823197 181360550 /nfs/dbraw/zinc/36/05/50/181360550.db2.gz QJOYYEJRONQREE-UHFFFAOYSA-N 1 0 245.282 0.949 10 0 BCAERO Cc1nccnc1N1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000630553105 364247451 /nfs/dbraw/zinc/24/74/51/364247451.db2.gz IEQIJWSDRPSROE-WPRPVWTQSA-N 1 0 206.293 0.816 10 0 BCAERO CCOc1nccnc1N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000630553162 364248000 /nfs/dbraw/zinc/24/80/00/364248000.db2.gz IQIJBJYVZIKJOQ-NXEZZACHSA-N 1 0 236.319 0.906 10 0 BCAERO Cc1nnc2c(N3C[C@H](C)[C@H](C[NH3+])C3)nccn12 ZINC000630554670 364250819 /nfs/dbraw/zinc/25/08/19/364250819.db2.gz QWSLKASBNBOCNC-WCBMZHEXSA-N 1 0 246.318 0.464 10 0 BCAERO Cc1nnc(N2C[C@H](C)[C@H](C[NH3+])C2)nc1C ZINC000630554933 364252852 /nfs/dbraw/zinc/25/28/52/364252852.db2.gz WCHXZVQHNHVIHQ-OIBJUYFYSA-N 1 0 221.308 0.519 10 0 BCAERO [NH3+]CC1(C(=O)N2CC[C@H](O)C2)CCCC1 ZINC000061710983 181359396 /nfs/dbraw/zinc/35/93/96/181359396.db2.gz YTFQBMUOTHWHJN-VIFPVBQESA-N 1 0 212.293 0.099 10 0 BCAERO [NH3+]CC1(C(=O)NCc2ccncc2)CC1 ZINC000077298715 181359546 /nfs/dbraw/zinc/35/95/46/181359546.db2.gz ZFTGYTFIUSLISL-UHFFFAOYSA-N 1 0 205.261 0.437 10 0 BCAERO C[NH+]1CCN(c2cccc(N)c2N)CC1 ZINC000116394173 370767700 /nfs/dbraw/zinc/76/77/00/370767700.db2.gz BSHKOIWZXZNENI-UHFFFAOYSA-N 1 0 206.293 0.603 10 0 BCAERO [NH3+]CC1(NS(=O)(=O)C(F)F)CCCCC1 ZINC000020431574 181360365 /nfs/dbraw/zinc/36/03/65/181360365.db2.gz YULXKQBCCBMUOO-UHFFFAOYSA-N 1 0 242.291 0.790 10 0 BCAERO Cc1cnc(C)c(NCCOCCC[NH3+])n1 ZINC000630534536 364228865 /nfs/dbraw/zinc/22/88/65/364228865.db2.gz MLDJLMGRZWNPSF-UHFFFAOYSA-N 1 0 224.308 0.871 10 0 BCAERO [NH3+]CCCOCCNc1nc2ccccc2[nH]1 ZINC000630534864 364229596 /nfs/dbraw/zinc/22/95/96/364229596.db2.gz PWSFQGQTOQQMDX-UHFFFAOYSA-N 1 0 234.303 0.762 10 0 BCAERO [NH3+]CC1([C@@H]2CCS(=O)(=O)C2)CCOCC1 ZINC000061673953 181361390 /nfs/dbraw/zinc/36/13/90/181361390.db2.gz BSLGUENJMZUJIT-SECBINFHSA-N 1 0 233.333 0.177 10 0 BCAERO C[C@H]1OCC[C@H]1[NH2+]CC(=O)N(C)C1CC1 ZINC000134543625 364405892 /nfs/dbraw/zinc/40/58/92/364405892.db2.gz BZGIPARBOFUAGP-PSASIEDQSA-N 1 0 212.293 0.374 10 0 BCAERO C[C@@H]1OCC[C@H]1[NH2+]CCCS(C)(=O)=O ZINC000134047394 364385130 /nfs/dbraw/zinc/38/51/30/364385130.db2.gz HTUAYLSPYASQQP-DTWKUNHWSA-N 1 0 221.322 0.188 10 0 BCAERO [NH3+]CC1(c2nnc3n2CCC3)CCOCC1 ZINC000083307728 181364022 /nfs/dbraw/zinc/36/40/22/181364022.db2.gz LWBOHDOGJFVBQZ-UHFFFAOYSA-N 1 0 222.292 0.231 10 0 BCAERO C[C@@H](OCC1CC1)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170854987 364531734 /nfs/dbraw/zinc/53/17/34/364531734.db2.gz RNDMNGBSROARFO-PWSUYJOCSA-N 1 0 240.347 0.964 10 0 BCAERO CS[C@H](C)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170866413 364545983 /nfs/dbraw/zinc/54/59/83/364545983.db2.gz QVCAQEOUVODUPH-BDAKNGLRSA-N 1 0 216.350 0.900 10 0 BCAERO CC[C@H](O)CN1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000246828803 364611068 /nfs/dbraw/zinc/61/10/68/364611068.db2.gz CROXCFRPUAOSNJ-UTUOFQBUSA-N 1 0 212.337 0.926 10 0 BCAERO [NH3+]CCC(=O)NC[C@@H]1Cc2ccccc2O1 ZINC000038010021 181367474 /nfs/dbraw/zinc/36/74/74/181367474.db2.gz LNXFFVZFXNNGSO-JTQLQIEISA-N 1 0 220.272 0.455 10 0 BCAERO c1cc(CN2CC[N@@H+]3CCC[C@H]3C2)no1 ZINC000246996932 364617615 /nfs/dbraw/zinc/61/76/15/364617615.db2.gz MYGDWPXALUKHMR-NSHDSACASA-N 1 0 207.277 0.955 10 0 BCAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)N(C)C ZINC000247133377 364618519 /nfs/dbraw/zinc/61/85/19/364618519.db2.gz JLWCZCGMLIFVMW-ZJUUUORDSA-N 1 0 211.309 0.837 10 0 BCAERO CC[C@](C)(C[NH2+]C1CCN(CCO)CC1)OC ZINC000399004805 364692264 /nfs/dbraw/zinc/69/22/64/364692264.db2.gz WUFNREWYPYJAEE-CYBMUJFWSA-N 1 0 244.379 0.848 10 0 BCAERO O=C1CNN(c2ccccc2)C12CC[NH2+]CC2 ZINC000147808956 364695423 /nfs/dbraw/zinc/69/54/23/364695423.db2.gz FVLIZHKBOBTAQE-UHFFFAOYSA-N 1 0 231.299 0.703 10 0 BCAERO O[C@H]1CCCC[C@@H]1C[NH2+]CC1(O)CCOCC1 ZINC000328213953 364818251 /nfs/dbraw/zinc/81/82/51/364818251.db2.gz WDQPUBYBXVQEOR-NEPJUHHUSA-N 1 0 243.347 0.669 10 0 BCAERO [NH3+]CCCC(=O)NCc1ccc(O)cc1 ZINC000083345374 181372890 /nfs/dbraw/zinc/37/28/90/181372890.db2.gz MUOKGPCLMOIRHJ-UHFFFAOYSA-N 1 0 208.261 0.747 10 0 BCAERO OC1CC[NH+](C[C@@H]2C[C@@H]3COC[C@@H]3O2)CC1 ZINC000675079396 541392012 /nfs/dbraw/zinc/39/20/12/541392012.db2.gz FSSLUNRXIOGIDV-USWWRNFRSA-N 1 0 227.304 0.247 10 0 BCAERO C[NH2+]CCN(C)c1ccc2nccnc2n1 ZINC000087200851 364926968 /nfs/dbraw/zinc/92/69/68/364926968.db2.gz UQACNASPZZXLIC-UHFFFAOYSA-N 1 0 217.276 0.680 10 0 BCAERO [NH3+]CCCCCC(=O)NCCCCCO ZINC000034088440 181374255 /nfs/dbraw/zinc/37/42/55/181374255.db2.gz YZJSTUPGAULOGV-UHFFFAOYSA-N 1 0 216.325 0.784 10 0 BCAERO [NH3+][C@]1(CO)CCCN(C(=O)CC2CC2)C1 ZINC000669385133 541438560 /nfs/dbraw/zinc/43/85/60/541438560.db2.gz ZMSKXMBNDOKNCZ-LLVKDONJSA-N 1 0 212.293 0.099 10 0 BCAERO C[C@H]1C[C@@H](c2cnn(CCO)c2N)CC[NH2+]1 ZINC000675053903 541433143 /nfs/dbraw/zinc/43/31/43/541433143.db2.gz AJOJSJVJORPYFN-IUCAKERBSA-N 1 0 224.308 0.313 10 0 BCAERO CCNC(=O)NCC1([NH2+]C)CCOCC1 ZINC000675054330 541434098 /nfs/dbraw/zinc/43/40/98/541434098.db2.gz SEGHEVDCSQROBI-UHFFFAOYSA-N 1 0 215.297 0.074 10 0 BCAERO CCCn1ccnc1CS(=O)(=O)NC ZINC000669376273 541436311 /nfs/dbraw/zinc/43/63/11/541436311.db2.gz MBRSSYIREGXTID-UHFFFAOYSA-N 1 0 217.294 0.342 10 0 BCAERO CC(C)(C)OC(=O)[C@]12C[NH2+]C[C@H]1CCOC2 ZINC000669380626 541437027 /nfs/dbraw/zinc/43/70/27/541437027.db2.gz SNWTYKLOWXOKGE-SKDRFNHKSA-N 1 0 227.304 0.954 10 0 BCAERO O=C(N[C@@]1(CO)CCC[NH2+]C1)C1CCCC1 ZINC000669384876 541438287 /nfs/dbraw/zinc/43/82/87/541438287.db2.gz KZKXGABOHLVBDY-LBPRGKRZSA-N 1 0 226.320 0.407 10 0 BCAERO CC(C)(C)C(=O)N1CCC[C@@]([NH3+])(CO)C1 ZINC000669384857 541438327 /nfs/dbraw/zinc/43/83/27/541438327.db2.gz KFYUGPWIIMRACA-NSHDSACASA-N 1 0 214.309 0.345 10 0 BCAERO [NH3+]CCCCn1nnc2ccccc2c1=O ZINC000036201754 181379804 /nfs/dbraw/zinc/37/98/04/181379804.db2.gz ZOKSWTNXTWYACH-UHFFFAOYSA-N 1 0 218.260 0.530 10 0 BCAERO [NH3+]CCCNC(=O)c1ccc2[nH]cnc2c1 ZINC000040835040 181382049 /nfs/dbraw/zinc/38/20/49/181382049.db2.gz DXQWFBSORZUKGR-UHFFFAOYSA-N 1 0 218.260 0.642 10 0 BCAERO [NH3+]CCN1CCC(NC(=O)c2cccnc2)CC1 ZINC000104353733 181392060 /nfs/dbraw/zinc/39/20/60/181392060.db2.gz GYXPDXXLPJZQBB-UHFFFAOYSA-N 1 0 248.330 0.235 10 0 BCAERO C[C@@H]1C[C@@H](NC(=O)[C@@H]2CC[NH2+]C2)C[C@H](C)O1 ZINC000574403266 365055321 /nfs/dbraw/zinc/05/53/21/365055321.db2.gz BMVNICFFDFTHPI-LMLFDSFASA-N 1 0 226.320 0.668 10 0 BCAERO [NH3+]CCCc1nc(-c2cccnc2)n[nH]1 ZINC000061844153 181387367 /nfs/dbraw/zinc/38/73/67/181387367.db2.gz LKAUDSJTDMKJEX-UHFFFAOYSA-N 1 0 203.249 0.758 10 0 BCAERO Nc1cccc(-c2n[nH]c(CCC[NH3+])n2)c1 ZINC000072236578 181387585 /nfs/dbraw/zinc/38/75/85/181387585.db2.gz QDQMEVUTHJIMJR-UHFFFAOYSA-N 1 0 217.276 0.945 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)N2CC[C@H]([NH3+])C[C@@H]2C)O1 ZINC000168878095 365022157 /nfs/dbraw/zinc/02/21/57/365022157.db2.gz CGWZXXMAXSYPNV-ZRUFSTJUSA-N 1 0 226.320 0.892 10 0 BCAERO [NH3+]CCCn1[nH]c(=O)c2ccccc2c1=O ZINC000032167485 181389039 /nfs/dbraw/zinc/38/90/39/181389039.db2.gz PTUMXILTENAYOT-UHFFFAOYSA-N 1 0 219.244 0.451 10 0 BCAERO [NH3+]CCNC(=O)CCOc1ccc(F)c(F)c1 ZINC000019787523 181392622 /nfs/dbraw/zinc/39/26/22/181392622.db2.gz DOUSIHFOOVRHNT-UHFFFAOYSA-N 1 0 244.241 0.809 10 0 BCAERO [NH3+]CCNC(=O)COc1cccc2cccnc21 ZINC000019787093 181394765 /nfs/dbraw/zinc/39/47/65/181394765.db2.gz DDICERRQVGHSTF-UHFFFAOYSA-N 1 0 245.282 0.689 10 0 BCAERO [NH3+]CCNC(=O)c1ccc2c[nH]nc2c1 ZINC000061670043 181395425 /nfs/dbraw/zinc/39/54/25/181395425.db2.gz XSFCIFMCXWHNCO-UHFFFAOYSA-N 1 0 204.233 0.251 10 0 BCAERO NC(=O)c1ccc(Cl)cc1NCC[NH3+] ZINC000062785761 181396852 /nfs/dbraw/zinc/39/68/52/181396852.db2.gz XDZSCTXXWOLHRS-UHFFFAOYSA-N 1 0 213.668 0.810 10 0 BCAERO [NH3+]CCNCc1ccc2c(c1)OCCCO2 ZINC000037713055 181397264 /nfs/dbraw/zinc/39/72/64/181397264.db2.gz QAWPCNUPSLJUIL-UHFFFAOYSA-N 1 0 222.288 0.896 10 0 BCAERO [NH3+]CCOCCNC(=O)c1c(F)cccc1F ZINC000111363472 181399293 /nfs/dbraw/zinc/39/92/93/181399293.db2.gz AZSLBNOFRZWHNN-UHFFFAOYSA-N 1 0 244.241 0.670 10 0 BCAERO [NH3+]CCS(=O)(=O)NCCc1cccs1 ZINC000011584599 181401199 /nfs/dbraw/zinc/40/11/99/181401199.db2.gz LCMXBMDDKHVHEV-UHFFFAOYSA-N 1 0 234.346 0.169 10 0 BCAERO C([C@@H]1CCCOC1)[N@@H+]1CC[C@@H]2OCCN[C@H]2C1 ZINC000575046223 365176578 /nfs/dbraw/zinc/17/65/78/365176578.db2.gz HKMLPMPLQXVBGR-AVGNSLFASA-N 1 0 240.347 0.476 10 0 BCAERO [NH3+]CC[C@]1(c2cccs2)CCNC1=O ZINC000077304144 181411127 /nfs/dbraw/zinc/41/11/27/181411127.db2.gz RTVRRKSWPPTHCZ-SNVBAGLBSA-N 1 0 210.302 0.855 10 0 BCAERO [NH3+]CCc1ccc(N2CCNC2=O)cc1 ZINC000051602204 181411961 /nfs/dbraw/zinc/41/19/61/181411961.db2.gz OGKVWEHDFDQJJS-UHFFFAOYSA-N 1 0 205.261 0.717 10 0 BCAERO CN1CCC[C@@H]([NH2+]C[C@H](O)C(C)(C)C)C1=O ZINC000575174430 365222602 /nfs/dbraw/zinc/22/26/02/365222602.db2.gz FDWGQIWHHSCODX-ZJUUUORDSA-N 1 0 228.336 0.604 10 0 BCAERO [NH3+]CCc1nnc(-c2ccncc2F)o1 ZINC000083094436 181414618 /nfs/dbraw/zinc/41/46/18/181414618.db2.gz NYFBXTLSULSIDD-UHFFFAOYSA-N 1 0 208.196 0.772 10 0 BCAERO [NH3+]C[C@@H](O)COc1cccc(F)c1F ZINC000062614564 181421779 /nfs/dbraw/zinc/42/17/79/181421779.db2.gz SAYGRYHBNMRVRI-ZCFIWIBFSA-N 1 0 203.188 0.663 10 0 BCAERO [NH3+]C[C@@H](O)COc1cc(F)cc(F)c1 ZINC000054932978 181421951 /nfs/dbraw/zinc/42/19/51/181421951.db2.gz RUWJQBQSMRDBPA-MRVPVSSYSA-N 1 0 203.188 0.663 10 0 BCAERO [NH3+]C[C@@H](c1cccs1)N1CCNC(=O)CC1 ZINC000062099561 181426275 /nfs/dbraw/zinc/42/62/75/181426275.db2.gz VDVZVGIPSGWQPB-VIFPVBQESA-N 1 0 239.344 0.570 10 0 BCAERO [NH3+]C[C@@H]1CCCCC[C@H]1N1CCS(=O)CC1 ZINC000049691376 181427039 /nfs/dbraw/zinc/42/70/39/181427039.db2.gz XGKHDLRLCWGRIX-NWDGAFQWSA-N 1 0 244.404 0.958 10 0 BCAERO [NH3+]C[C@@H]1CCCCN1C(=O)NCC1CC1 ZINC000082641737 181427778 /nfs/dbraw/zinc/42/77/78/181427778.db2.gz VKNGLJXILSNGAK-JTQLQIEISA-N 1 0 211.309 0.919 10 0 BCAERO COC[C@@H](C)CNC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000172492663 365329415 /nfs/dbraw/zinc/32/94/15/365329415.db2.gz PDCZVKPUZMPFRY-WDEREUQCSA-N 1 0 243.351 0.614 10 0 BCAERO C[C@@H]1C[C@@H]([NH2+]C2CCN(CCO)CC2)CS1 ZINC000399082642 365394923 /nfs/dbraw/zinc/39/49/23/365394923.db2.gz SLUPWCNEJDOSEM-ZYHUDNBSSA-N 1 0 244.404 0.927 10 0 BCAERO CCC(=O)N1CC[N@H+](C[C@@H](C)O)[C@@H](CC)C1 ZINC000174603949 365499021 /nfs/dbraw/zinc/49/90/21/365499021.db2.gz JQTJIOKMRLOMJF-MNOVXSKESA-N 1 0 228.336 0.700 10 0 BCAERO CC[C@@H]1CN(C(=O)C2CC2)CC[N@@H+]1C[C@@H](C)O ZINC000174626400 365501979 /nfs/dbraw/zinc/50/19/79/365501979.db2.gz VOLGACRHWXWIKL-ZYHUDNBSSA-N 1 0 240.347 0.700 10 0 BCAERO O=Cc1c(F)cncc1N1CC[NH2+]CC1 ZINC000675063295 541464678 /nfs/dbraw/zinc/46/46/78/541464678.db2.gz BDQDRMFQPKPLMX-UHFFFAOYSA-N 1 0 209.224 0.443 10 0 BCAERO COc1cccc(C2CNC(=[NH2+])NC2)c1 ZINC000144753961 541510270 /nfs/dbraw/zinc/51/02/70/541510270.db2.gz IGYIRXVEWJECLK-UHFFFAOYSA-N 1 0 205.261 0.697 10 0 BCAERO CC[C@@H]1[C@@H](C)CNc2nc(CC[NH3+])nn21 ZINC000233929167 541510287 /nfs/dbraw/zinc/51/02/87/541510287.db2.gz CGXRLCDXDIGMSJ-JGVFFNPUSA-N 1 0 209.297 0.792 10 0 BCAERO CC(C)[N@H+](C)C[C@@H](O)CN1C[C@@H](C)O[C@H](C)C1 ZINC000383661182 541514252 /nfs/dbraw/zinc/51/42/52/541514252.db2.gz GISVAJXESHBNRJ-JHJVBQTASA-N 1 0 244.379 0.797 10 0 BCAERO NC(=O)c1cnccc1N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000184112144 367064736 /nfs/dbraw/zinc/06/47/36/367064736.db2.gz FYIWXBHSBCTQCJ-SNVBAGLBSA-N 1 0 246.314 0.465 10 0 BCAERO C[C@@H](NC(=O)[C@@H]1CCC[NH2+][C@@H]1C)c1nc[nH]n1 ZINC000579948399 367097320 /nfs/dbraw/zinc/09/73/20/367097320.db2.gz BWXTTXWNLPLMJM-IWSPIJDZSA-N 1 0 237.307 0.370 10 0 BCAERO CSCC[N@@H+]1CCC[C@H](NC(C)=O)C1 ZINC000193882710 367224032 /nfs/dbraw/zinc/22/40/32/367224032.db2.gz SSNMKIRCMVZBAC-JTQLQIEISA-N 1 0 216.350 0.950 10 0 BCAERO C[C@@H]([NH3+])[C@@H](C)Nc1ccc(C(=O)N(C)C)cn1 ZINC000381342579 367384185 /nfs/dbraw/zinc/38/41/85/367384185.db2.gz FPYVIPPZAHILJK-RKDXNWHRSA-N 1 0 236.319 0.931 10 0 BCAERO C[C@@H](Nc1nnnn1-c1ccccc1)[C@H](C)[NH3+] ZINC000381414666 367398376 /nfs/dbraw/zinc/39/83/76/367398376.db2.gz YSSXGVUNGYTYAX-DTWKUNHWSA-N 1 0 232.291 0.232 10 0 BCAERO C[C@H](C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1)n1cncn1 ZINC000381215190 367364068 /nfs/dbraw/zinc/36/40/68/367364068.db2.gz FKYYNUOJCHQCFB-YTWAJWBKSA-N 1 0 249.318 0.035 10 0 BCAERO C[C@@H]1C[C@@H]1C[N@@H+]1CC[C@H]2OCCN[C@H]2C1 ZINC000381572144 367431279 /nfs/dbraw/zinc/43/12/79/367431279.db2.gz XUNDCHDTARYPPS-WISYIIOYSA-N 1 0 210.321 0.705 10 0 BCAERO CO[C@H]1C[NH2+][C@@H](C(=O)Nc2ccc(C)cn2)C1 ZINC000381690232 367447801 /nfs/dbraw/zinc/44/78/01/367447801.db2.gz GDKKUQCZGIEAGQ-NXEZZACHSA-N 1 0 235.287 0.705 10 0 BCAERO NC(=O)c1cc(N[C@@H]2CC[C@H](C[NH3+])C2)ccn1 ZINC000382478048 367529225 /nfs/dbraw/zinc/52/92/25/367529225.db2.gz KTTYQEJYIYNCMQ-DTWKUNHWSA-N 1 0 234.303 0.142 10 0 BCAERO COC[C@](C)(O)C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000382561655 367539531 /nfs/dbraw/zinc/53/95/31/367539531.db2.gz LJRQQKJZQPWPCH-SRRSOLGSSA-N 1 0 243.347 0.787 10 0 BCAERO [NH3+]C[C@H]1CC[C@@H](NC(=O)[C@H]2CCCO2)C1 ZINC000382413633 367517918 /nfs/dbraw/zinc/51/79/18/367517918.db2.gz GXIHCABRDNZBMN-IVZWLZJFSA-N 1 0 212.293 0.409 10 0 BCAERO C[C@H](O)C1CCN(C(=O)[C@H](C)[NH2+]C2CC2)CC1 ZINC000382964367 367575891 /nfs/dbraw/zinc/57/58/91/367575891.db2.gz ACTWGLZHGRTFBC-UWVGGRQHSA-N 1 0 240.347 0.746 10 0 BCAERO C[C@H]1[NH2+]CCC[C@@H]1C(=O)N[C@H]1CCCC[C@@H]1O ZINC000384251562 367680056 /nfs/dbraw/zinc/68/00/56/367680056.db2.gz MMNGVZZOOMJKRA-RHYQMDGZSA-N 1 0 240.347 0.794 10 0 BCAERO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CN(C)CCO2)[C@@H](C)O1 ZINC000384685251 367716800 /nfs/dbraw/zinc/71/68/00/367716800.db2.gz BJFOTSUENLSQKS-KKOKHZNYSA-N 1 0 228.336 0.473 10 0 BCAERO CCN(CC)C(=O)C[N@@H+]1CCC[C@@H](O)[C@@H]1C ZINC000385098093 367789412 /nfs/dbraw/zinc/78/94/12/367789412.db2.gz ZERDINHBRDKYJH-WDEREUQCSA-N 1 0 228.336 0.700 10 0 BCAERO Cc1cc2c(N[C@@H](C)C[NH3+])nccn2n1 ZINC000156984075 201522872 /nfs/dbraw/zinc/52/28/72/201522872.db2.gz GJSCXALSMBCKGW-QMMMGPOBSA-N 1 0 205.265 0.797 10 0 BCAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)NCCSC ZINC000069013447 370873183 /nfs/dbraw/zinc/87/31/83/370873183.db2.gz VBSUHRSJSGMGCV-HTQZYQBOSA-N 1 0 204.339 0.839 10 0 BCAERO Cc1nnc(N2C[C@@H]([NH3+])C[C@H]2C)nc1C ZINC000385187180 367806171 /nfs/dbraw/zinc/80/61/71/367806171.db2.gz LDQSFSZFIKLBNX-MUWHJKNJSA-N 1 0 207.281 0.414 10 0 BCAERO C[C@@H]1OCC[C@H]1[NH2+][C@H]1CCCNC(=O)C1 ZINC000252747338 367907189 /nfs/dbraw/zinc/90/71/89/367907189.db2.gz RNNZPUJGQZYHOW-LPEHRKFASA-N 1 0 212.293 0.422 10 0 BCAERO OC[C@H](N[C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC000386280559 367945060 /nfs/dbraw/zinc/94/50/60/367945060.db2.gz QWAHYABEWRMALP-NEPJUHHUSA-N 1 0 212.337 0.879 10 0 BCAERO CC(C)(C(=O)NC1CCC1)N1CC[NH2+]CC1 ZINC000087638919 367947063 /nfs/dbraw/zinc/94/70/63/367947063.db2.gz MECHSLLYKGFOKR-UHFFFAOYSA-N 1 0 225.336 0.339 10 0 BCAERO [NH3+]Cc1ccc(N2C(=O)CNC2=O)cc1 ZINC000087665596 367962852 /nfs/dbraw/zinc/96/28/52/367962852.db2.gz IMQIKNCXOUELDS-UHFFFAOYSA-N 1 0 205.217 0.202 10 0 BCAERO CC[C@H]([NH2+]Cc1c(C)nn(C)c1OC)[C@@H](C)O ZINC000386886979 368031015 /nfs/dbraw/zinc/03/10/15/368031015.db2.gz MZENEEHDCVNTBF-KOLCDFICSA-N 1 0 241.335 0.986 10 0 BCAERO [NH3+][C@@H]1CCC[C@H]1O[C@H]1CCS(=O)(=O)C1 ZINC000252871725 368165597 /nfs/dbraw/zinc/16/55/97/368165597.db2.gz OVBJWPLDUWFDPK-DJLDLDEBSA-N 1 0 219.306 0.070 10 0 BCAERO CC(C)C(=O)C[N@@H+]1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000252873619 368165760 /nfs/dbraw/zinc/16/57/60/368165760.db2.gz POAGLBGZRRSIJK-GARJFASQSA-N 1 0 211.305 0.914 10 0 BCAERO C[C@@H](C[NH+](C)C)N1C(=S)N=NC1N ZINC000130723644 368137301 /nfs/dbraw/zinc/13/73/01/368137301.db2.gz CIEITYDEUGJRNY-YFKPBYRVSA-N 1 0 201.299 0.272 10 0 BCAERO Cc1csc(N2CCOC[C@@H]2C[NH3+])n1 ZINC000161376621 368140506 /nfs/dbraw/zinc/14/05/06/368140506.db2.gz BTXROAIQJGKYKX-QMMMGPOBSA-N 1 0 213.306 0.615 10 0 BCAERO Cc1nsc(N2CCOC[C@H]2C[NH3+])n1 ZINC000161385367 368142006 /nfs/dbraw/zinc/14/20/06/368142006.db2.gz QPVPNZWXCFYVAM-SSDOTTSWSA-N 1 0 214.294 0.010 10 0 BCAERO C[C@H](CO)[NH+]1CCN(c2ccccn2)CC1 ZINC000039615803 368275636 /nfs/dbraw/zinc/27/56/36/368275636.db2.gz GQDKXHXNOBBASA-LLVKDONJSA-N 1 0 221.304 0.584 10 0 BCAERO C[C@@H](C(N)=S)[N@@H+]1CC[C@@H](O)[C@H](C)C1 ZINC000253178128 368594428 /nfs/dbraw/zinc/59/44/28/368594428.db2.gz HCMJLXHSOJCZON-GJMOJQLCSA-N 1 0 202.323 0.364 10 0 BCAERO COCC[C@H](C)NC(=O)C[C@H]1CCC[NH2+]C1 ZINC000081711107 368615869 /nfs/dbraw/zinc/61/58/69/368615869.db2.gz KIKLAYGUMFPIAS-WDEREUQCSA-N 1 0 228.336 0.917 10 0 BCAERO CC(C)(O)C[NH2+]C[C@@H](O)COCC1CC1 ZINC000083464512 368778435 /nfs/dbraw/zinc/77/84/35/368778435.db2.gz DZHAGPSRLSPTMA-SNVBAGLBSA-N 1 0 217.309 0.134 10 0 BCAERO CC(C)(C)OC(=O)N1CCN(C(=[NH2+])NO)CC1 ZINC000113718113 368903039 /nfs/dbraw/zinc/90/30/39/368903039.db2.gz OHJRUCKAUDVDHL-UHFFFAOYSA-N 1 0 244.295 0.453 10 0 BCAERO C[NH2+]C1CCN(C(=O)[C@@H]2CC[C@H](C)O2)CC1 ZINC000088140195 368906179 /nfs/dbraw/zinc/90/61/79/368906179.db2.gz QSKRCNXHDYUNJV-ONGXEEELSA-N 1 0 226.320 0.764 10 0 BCAERO Cn1nnnc1N[C@H]1CCCC[C@H]1C[NH3+] ZINC000084213497 368850212 /nfs/dbraw/zinc/85/02/12/368850212.db2.gz LGGXORXLJKXOJK-YUMQZZPRSA-N 1 0 210.285 0.140 10 0 BCAERO CCn1nccc1C[NH2+][C@H]1CCOC[C@H]1O ZINC000623766214 368995961 /nfs/dbraw/zinc/99/59/61/368995961.db2.gz BZXPAJSRPKYELM-WDEREUQCSA-N 1 0 225.292 0.142 10 0 BCAERO [NH3+][C@H]1Cc2ccc(N3CCOCC3)cc2C1 ZINC000115634139 369004166 /nfs/dbraw/zinc/00/41/66/369004166.db2.gz WTMRKDIQTRMJDG-LBPRGKRZSA-N 1 0 218.300 0.949 10 0 BCAERO Cc1ccncc1C[NH2+][C@H]1CCOC[C@H]1O ZINC000623766660 369030457 /nfs/dbraw/zinc/03/04/57/369030457.db2.gz JWQMBQLPGKGVOH-NWDGAFQWSA-N 1 0 222.288 0.629 10 0 BCAERO [NH3+]CC1([C@@H]2CCS(=O)(=O)C2)CCCC1 ZINC000054635678 369081629 /nfs/dbraw/zinc/08/16/29/369081629.db2.gz PGANHUIQWSPVTN-SECBINFHSA-N 1 0 217.334 0.940 10 0 BCAERO [NH3+]C[C@H](C1CCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000161492162 369122080 /nfs/dbraw/zinc/12/20/80/369122080.db2.gz OQDKCWYFPKLUKN-NXEZZACHSA-N 1 0 217.334 0.796 10 0 BCAERO [NH3+]CCN1CCCO[C@H](c2cn[nH]c2)C1 ZINC000616680207 369109163 /nfs/dbraw/zinc/10/91/63/369109163.db2.gz PFFFPLBFXAWQQL-JTQLQIEISA-N 1 0 210.281 0.132 10 0 BCAERO [NH3+]C[C@H](O)COc1cc(F)cc(F)c1 ZINC000054932979 181449220 /nfs/dbraw/zinc/44/92/20/181449220.db2.gz RUWJQBQSMRDBPA-QMMMGPOBSA-N 1 0 203.188 0.663 10 0 BCAERO OCC[N@@H+]1CCCO[C@H](c2ccnnc2)C1 ZINC000616680234 369111611 /nfs/dbraw/zinc/11/16/11/369111611.db2.gz PXNSOPWVEYLCTI-NSHDSACASA-N 1 0 223.276 0.232 10 0 BCAERO [NH3+]C[C@H]1C[C@H](F)CN1Cc1cncnc1 ZINC000238853777 181468238 /nfs/dbraw/zinc/46/82/38/181468238.db2.gz KYPKJXGLBZNHQP-VHSXEESVSA-N 1 0 210.256 0.348 10 0 BCAERO NC(=O)c1ccc(N[C@@H]2CCCC[C@@H]2C[NH3+])nn1 ZINC000095013527 181458886 /nfs/dbraw/zinc/45/88/86/181458886.db2.gz QYGVHJIDQIFJOU-RKDXNWHRSA-N 1 0 249.318 0.505 10 0 BCAERO [NH3+]C[C@H]1CCCN1CC(=O)c1ccccn1 ZINC000095072620 181461380 /nfs/dbraw/zinc/46/13/80/181461380.db2.gz QUFLLAWCSOTHQM-SNVBAGLBSA-N 1 0 219.288 0.687 10 0 BCAERO [NH3+]C[C@H]1CCCN1c1nnnn1-c1ccccc1 ZINC000053663251 181461540 /nfs/dbraw/zinc/46/15/40/181461540.db2.gz RIJVDPKLOSBVBA-LLVKDONJSA-N 1 0 244.302 0.590 10 0 BCAERO COC[C@@H](C)C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000108328115 369388160 /nfs/dbraw/zinc/38/81/60/369388160.db2.gz KQHIUEQMMUHALB-GHMZBOCLSA-N 1 0 228.336 0.727 10 0 BCAERO O[C@@H]1COCC[C@@H]1[NH2+]C[C@H]1CCSC1 ZINC000623767266 369376966 /nfs/dbraw/zinc/37/69/66/369376966.db2.gz SSBRVPSIXRKRLT-KXUCPTDWSA-N 1 0 217.334 0.479 10 0 BCAERO CC(C)n1cncc1C[NH2+][C@H]1CCOC[C@H]1O ZINC000623767442 369396106 /nfs/dbraw/zinc/39/61/06/369396106.db2.gz WDUPPHKNCYFNCD-NWDGAFQWSA-N 1 0 239.319 0.703 10 0 BCAERO Cc1occc1C[NH2+][C@@H]1CCOC[C@@H]1O ZINC000623767578 369397769 /nfs/dbraw/zinc/39/77/69/369397769.db2.gz YDLJCTHHQYDELH-MNOVXSKESA-N 1 0 211.261 0.827 10 0 BCAERO CC1(C)C[C@@H]1C(=O)N1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC000404037811 369417107 /nfs/dbraw/zinc/41/71/07/369417107.db2.gz ZHBNNDUPNVRRDK-MXWKQRLJSA-N 1 0 238.331 0.622 10 0 BCAERO c1cc(CN2CC[C@@H]3OCC[NH2+][C@H]3C2)on1 ZINC000404114363 369420063 /nfs/dbraw/zinc/42/00/63/369420063.db2.gz BWCWHLRTRUELTQ-QWRGUYRKSA-N 1 0 223.276 0.237 10 0 BCAERO Cc1cc(CN2CC[C@@H]3OCC[NH2+][C@H]3C2)no1 ZINC000404201952 369422175 /nfs/dbraw/zinc/42/21/75/369422175.db2.gz QCKFUDPQIDGHJD-RYUDHWBXSA-N 1 0 237.303 0.546 10 0 BCAERO COC(C)(C)CN(C)C(=O)[C@H]1CCC[NH2+]C1 ZINC000404380549 369428136 /nfs/dbraw/zinc/42/81/36/369428136.db2.gz RWRFIRLVMQZFMF-JTQLQIEISA-N 1 0 228.336 0.869 10 0 BCAERO COC(=O)[C@@H]1CCCN(C(=O)CCC[NH3+])C1 ZINC000082257043 370976258 /nfs/dbraw/zinc/97/62/58/370976258.db2.gz BROVEKREYPRZQK-SECBINFHSA-N 1 0 228.292 0.137 10 0 BCAERO [NH3+]Cc1ccc(CC(=O)NCc2cn[nH]c2)cc1 ZINC000104117336 181481971 /nfs/dbraw/zinc/48/19/71/181481971.db2.gz QTWWUAORGOOGKY-UHFFFAOYSA-N 1 0 244.298 0.727 10 0 BCAERO [NH3+]Cc1ccc(F)c(Cn2cccnc2=O)c1 ZINC000019271471 181483148 /nfs/dbraw/zinc/48/31/48/181483148.db2.gz MILAESPDEOSIMV-UHFFFAOYSA-N 1 0 233.246 0.889 10 0 BCAERO CCc1nnc(CN2C[C@@H]([NH3+])C[C@@H]2C)n1C ZINC000631862596 369572795 /nfs/dbraw/zinc/57/27/95/369572795.db2.gz RMYASMWURGCZNR-IUCAKERBSA-N 1 0 223.324 0.299 10 0 BCAERO [NH3+][C@@H]1CC[C@H]2CN(C(=O)Cc3ccncc3)C[C@@H]12 ZINC000310903168 370371836 /nfs/dbraw/zinc/37/18/36/370371836.db2.gz BKNCKNSDUCGSRB-YNEHKIRRSA-N 1 0 245.326 0.820 10 0 BCAERO CCOC(=O)CC[N@H+](C)C[C@H]1CN(C)CCO1 ZINC000113164022 370384309 /nfs/dbraw/zinc/38/43/09/370384309.db2.gz YPROZCIRWXGARV-NSHDSACASA-N 1 0 244.335 0.202 10 0 BCAERO CCOC(=O)CC[N@H+](C)C[C@@H]1CN(C)CCO1 ZINC000113164019 370384674 /nfs/dbraw/zinc/38/46/74/370384674.db2.gz YPROZCIRWXGARV-LLVKDONJSA-N 1 0 244.335 0.202 10 0 BCAERO COC[C@@H]([NH3+])C(=O)NCC[C@H]1CC1(F)F ZINC000621671591 370423082 /nfs/dbraw/zinc/42/30/82/370423082.db2.gz YJDXRRRERHACMW-NKWVEPMBSA-N 1 0 222.235 0.122 10 0 BCAERO CN(Cc1cncc(Cl)c1)[C@H]1C[NH2+]C[C@@H]1O ZINC000621776339 370524142 /nfs/dbraw/zinc/52/41/42/370524142.db2.gz JFTTVGLJPLECKQ-QWRGUYRKSA-N 1 0 241.722 0.500 10 0 BCAERO CC1=[N+]([O-])[C@]2(O)CCCC[C@@]2(C)[N+](O)=C1C ZINC000225411573 370578955 /nfs/dbraw/zinc/57/89/55/370578955.db2.gz BBKQRDJUJHSECM-MNOVXSKESA-N 1 0 228.292 0.747 10 0 BCAERO O[C@H]1COCC[C@@H]1[NH2+]Cc1cccs1 ZINC000623765115 371086460 /nfs/dbraw/zinc/08/64/60/371086460.db2.gz NYGPYZBLUWSCLO-UWVGGRQHSA-N 1 0 213.302 0.988 10 0 BCAERO CCc1cnc(C[NH2+][C@@H]2CCOC[C@@H]2O)s1 ZINC000623767507 371086714 /nfs/dbraw/zinc/08/67/14/371086714.db2.gz XIDKIHIZUAAQIL-ZJUUUORDSA-N 1 0 242.344 0.945 10 0 BCAERO O[C@H]1COCC[C@@H]1[NH2+]Cc1nccs1 ZINC000623764904 371086770 /nfs/dbraw/zinc/08/67/70/371086770.db2.gz LMJMLEQDIRVGSN-YUMQZZPRSA-N 1 0 214.290 0.383 10 0 BCAERO N[C@@H](C(=O)OCc1ccccc1)[C@H]1CC[NH2+]C1 ZINC000091364534 181537825 /nfs/dbraw/zinc/53/78/25/181537825.db2.gz CUTCHFVLAUIOSV-NWDGAFQWSA-N 1 0 234.299 0.667 10 0 BCAERO CC[C@H](CO)N(C)CC[N@H+](C)[C@H](CC)CO ZINC000390246695 371192792 /nfs/dbraw/zinc/19/27/92/371192792.db2.gz JDUGXBIFCYWLQZ-VXGBXAGGSA-N 1 0 232.368 0.392 10 0 BCAERO NNc1[nH+]cnc(NNc2ccccc2)c1N ZINC000040757495 181521705 /nfs/dbraw/zinc/52/17/05/181521705.db2.gz VYGJNSYBGNSKNS-UHFFFAOYSA-N 1 0 231.263 0.783 10 0 BCAERO COC[C@H](C)[NH2+]CC(=O)NCc1cccs1 ZINC000390659289 371225609 /nfs/dbraw/zinc/22/56/09/371225609.db2.gz RTBCMHGGDNBFPX-VIFPVBQESA-N 1 0 242.344 0.989 10 0 BCAERO [NH3+][C@@H]1CCCCC[C@@H]1N1CCS(=O)(=O)CC1 ZINC000040989336 181571812 /nfs/dbraw/zinc/57/18/12/181571812.db2.gz CBPJTABCDGKPIN-MNOVXSKESA-N 1 0 246.376 0.377 10 0 BCAERO [NH3+][C@@H]1CCC[C@@H](C(=O)N2CCC(O)CC2)C1 ZINC000055086355 181579246 /nfs/dbraw/zinc/57/92/46/181579246.db2.gz CJQPUOUSLSDNEG-NXEZZACHSA-N 1 0 226.320 0.487 10 0 BCAERO [NH3+][C@@H]1CCC[C@H](C(=O)NCC(F)F)C1 ZINC000149211120 181583928 /nfs/dbraw/zinc/58/39/28/181583928.db2.gz BINMJWJGYRUKOI-NKWVEPMBSA-N 1 0 206.236 0.885 10 0 BCAERO N[C@H](C(=O)OCc1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000091364533 181610926 /nfs/dbraw/zinc/61/09/26/181610926.db2.gz CUTCHFVLAUIOSV-NEPJUHHUSA-N 1 0 234.299 0.667 10 0 BCAERO [NH3+][C@H]1CCCC[C@H]1C(=O)NC1CCOCC1 ZINC000055087757 181641733 /nfs/dbraw/zinc/64/17/33/181641733.db2.gz HAOGQZAKEZFQML-MNOVXSKESA-N 1 0 226.320 0.799 10 0 BCAERO [NH3+][C@H]1CCCC[C@H]1NC(=O)C1CCOCC1 ZINC000038048643 181642249 /nfs/dbraw/zinc/64/22/49/181642249.db2.gz DFWUNJLYEKKHOO-WDEREUQCSA-N 1 0 226.320 0.799 10 0 BCAERO [NH3+][C@H]1CCCC[C@H]1NC(=O)c1ccc[nH]c1=O ZINC000038049124 181642825 /nfs/dbraw/zinc/64/28/25/181642825.db2.gz UJGUCGIPPATBDU-VHSXEESVSA-N 1 0 235.287 0.375 10 0 BCAERO [NH3+][C@H]1CCCN(C(=O)COCC(F)(F)F)C1 ZINC000157844653 181643905 /nfs/dbraw/zinc/64/39/05/181643905.db2.gz UGCJQSBPZFLDGC-ZETCQYMHSA-N 1 0 240.225 0.515 10 0 BCAERO [NH3+][C@H]1CCC[C@@H](C(=O)Nc2cnccn2)C1 ZINC000070502790 181644729 /nfs/dbraw/zinc/64/47/29/181644729.db2.gz YDYZQICOZUBLQA-BDAKNGLRSA-N 1 0 220.276 0.933 10 0 BCAERO CCCCN(CCO)C(=O)[C@H]1CC[C@H](C)[NH2+]C1 ZINC000042495451 168812170 /nfs/dbraw/zinc/81/21/70/168812170.db2.gz XIKDEWPCOCEWAC-RYUDHWBXSA-N 1 0 242.363 0.996 10 0 BCAERO CCc1nnc(CN2C[C@H]3C[NH2+]C[C@@H]3C2)n1C ZINC000624190693 371378337 /nfs/dbraw/zinc/37/83/37/371378337.db2.gz SPYNWBVUGORMMJ-NXEZZACHSA-N 1 0 235.335 0.029 10 0 BCAERO C[C@H]([NH2+][C@H]1CCOC[C@@H]1O)c1nccs1 ZINC000624236552 371423864 /nfs/dbraw/zinc/42/38/64/371423864.db2.gz FJQYZULZLYYBST-CIUDSAMLSA-N 1 0 228.317 0.944 10 0 BCAERO COCCC[C@H](C)[NH2+][C@H]1CCOC[C@@H]1O ZINC000624237115 371424806 /nfs/dbraw/zinc/42/48/06/371424806.db2.gz PXMICHLPEZKRCJ-DCAQKATOSA-N 1 0 217.309 0.541 10 0 BCAERO CCOC[C@H](C)[NH2+][C@H]1CCOC[C@@H]1O ZINC000624237392 371425071 /nfs/dbraw/zinc/42/50/71/371425071.db2.gz WKYNDLYCADJAFM-GUBZILKMSA-N 1 0 203.282 0.151 10 0 BCAERO C[C@@H]1C[C@H]([NH2+][C@H]2CCOC[C@@H]2O)CCN1C ZINC000624236641 371425114 /nfs/dbraw/zinc/42/51/14/371425114.db2.gz HEHSZGVQWXEMCX-WYUUTHIRSA-N 1 0 228.336 0.209 10 0 BCAERO COCCC[C@H](C)[NH2+][C@H]1CCOC[C@H]1O ZINC000624237116 371425133 /nfs/dbraw/zinc/42/51/33/371425133.db2.gz PXMICHLPEZKRCJ-GARJFASQSA-N 1 0 217.309 0.541 10 0 BCAERO C[C@H]([NH2+][C@@H]1CCOC[C@@H]1O)c1cscn1 ZINC000624238586 371427054 /nfs/dbraw/zinc/42/70/54/371427054.db2.gz UICDGOQBFKNMJV-XKSSXDPKSA-N 1 0 228.317 0.944 10 0 BCAERO CN1C(=O)CC[C@@H]([NH3+])[C@@H]1c1nccs1 ZINC000161691258 371552877 /nfs/dbraw/zinc/55/28/77/371552877.db2.gz YOOVPQFJGQWBNY-HTRCEHHLSA-N 1 0 211.290 0.764 10 0 BCAERO C[C@H]1C[C@H](C(=O)NC(C)(C)C[NH3+])CO1 ZINC000161781052 371563828 /nfs/dbraw/zinc/56/38/28/371563828.db2.gz WGDRANHAXBLLKY-YUMQZZPRSA-N 1 0 200.282 0.265 10 0 BCAERO Nc1nc(CN2CCC[NH2+]CC2)cs1 ZINC000041058965 181781374 /nfs/dbraw/zinc/78/13/74/181781374.db2.gz WNFKQETUOFMKDV-UHFFFAOYSA-N 1 0 212.322 0.521 10 0 BCAERO CN(C(=O)c1ccn(C)n1)[C@H]1CCC[NH2+]CC1 ZINC000226456162 371670900 /nfs/dbraw/zinc/67/09/00/371670900.db2.gz FILSKUYYPONTMD-JTQLQIEISA-N 1 0 236.319 0.634 10 0 BCAERO CC[C@H]([C@H](C)[NH3+])[C@@H]1CCS(=O)(=O)C1 ZINC000226263394 371632768 /nfs/dbraw/zinc/63/27/68/371632768.db2.gz XNWQIHOPSYXYAT-DJLDLDEBSA-N 1 0 205.323 0.795 10 0 BCAERO Cn1ccc(CC(=O)[C@H]2CC[C@@H]([NH3+])C2)n1 ZINC000226600221 371705071 /nfs/dbraw/zinc/70/50/71/371705071.db2.gz RMTRBVVMZIAMHK-DTWKUNHWSA-N 1 0 207.277 0.659 10 0 BCAERO Cn1cc(CC(=O)[C@@H]2CC[C@@H]([NH3+])C2)cn1 ZINC000226603029 371705300 /nfs/dbraw/zinc/70/53/00/371705300.db2.gz GOKKXQZBFAYGJB-NXEZZACHSA-N 1 0 207.277 0.659 10 0 BCAERO O=S(=O)(N[C@H]1CC[NH2+]C1)C1CCCC1 ZINC000162532388 371708265 /nfs/dbraw/zinc/70/82/65/371708265.db2.gz QYDZJGTXUGSTGN-QMMMGPOBSA-N 1 0 218.322 0.210 10 0 BCAERO [NH3+]C[C@H]1CC[C@H](C(=O)c2cnccn2)O1 ZINC000226647862 371714644 /nfs/dbraw/zinc/71/46/44/371714644.db2.gz PFUABCRAKKPXAM-VXNVDRBHSA-N 1 0 207.233 0.166 10 0 BCAERO CS[C@@H]1C[NH2+]C[C@@H]1N1CCOC[C@@H]1C ZINC000226660596 371718413 /nfs/dbraw/zinc/71/84/13/371718413.db2.gz JOCRSVYDWSOYJE-LPEHRKFASA-N 1 0 216.350 0.411 10 0 BCAERO CS(=O)(=O)N1CCC[C@@H](CC[NH3+])CC1 ZINC000216220049 371721257 /nfs/dbraw/zinc/72/12/57/371721257.db2.gz MGFZILUSUUVZJN-VIFPVBQESA-N 1 0 220.338 0.397 10 0 BCAERO Nc1nc2ccccc2nc1N[C@H]1CC[NH2+]C1 ZINC000095072165 181794546 /nfs/dbraw/zinc/79/45/46/181794546.db2.gz SXCBSQYKWAIOMC-QMMMGPOBSA-N 1 0 229.287 0.986 10 0 BCAERO CC(C)(C[NH3+])CN1CCCCS1(=O)=O ZINC000162506512 371701714 /nfs/dbraw/zinc/70/17/14/371701714.db2.gz WGVSZMVJXXAJHZ-UHFFFAOYSA-N 1 0 220.338 0.397 10 0 BCAERO CC[C@@H]1CC[C@H]([NH3+])[C@@H](S(C)(=O)=O)C1 ZINC000226801850 371745850 /nfs/dbraw/zinc/74/58/50/371745850.db2.gz PDCNSNJGVHXDDD-VGMNWLOBSA-N 1 0 205.323 0.937 10 0 BCAERO C[C@H]1CC[NH2+][C@H]1C(=O)NCC(F)(F)F ZINC000226896703 371755639 /nfs/dbraw/zinc/75/56/39/371755639.db2.gz LMXKPLPRIFJISW-NTSWFWBYSA-N 1 0 210.199 0.663 10 0 BCAERO C[C@@H]1CC[N@H+](C[C@](C)(N)CO)C[C@@H]1C ZINC000132190914 371762700 /nfs/dbraw/zinc/76/27/00/371762700.db2.gz PBIMLCYRWDVJTK-VWYCJHECSA-N 1 0 200.326 0.674 10 0 BCAERO CCC[C@@H](O)[C@H]1CN(C)CCC[N@@H+]1C ZINC000132279106 371782933 /nfs/dbraw/zinc/78/29/33/371782933.db2.gz POLJTSHNDHCPAE-GHMZBOCLSA-N 1 0 200.326 0.783 10 0 BCAERO C[C@@H](O)CNC(=O)[C@]1(C)CCC[C@H]1[NH3+] ZINC000227318190 371830477 /nfs/dbraw/zinc/83/04/77/371830477.db2.gz QPLFHOJLYVBVDD-NQMVMOMDSA-N 1 0 200.282 0.001 10 0 BCAERO Cn1nnc(Br)c1[C@H]1CC[NH2+]C1 ZINC000216725167 371795265 /nfs/dbraw/zinc/79/52/65/371795265.db2.gz SDEQOJXOYKCQRV-YFKPBYRVSA-N 1 0 231.097 0.655 10 0 BCAERO C[C@@]([NH3+])(C(=O)N[C@H]1CCSC1)C1CC1 ZINC000227210072 371801085 /nfs/dbraw/zinc/80/10/85/371801085.db2.gz FXURFAMONLSDDM-WPRPVWTQSA-N 1 0 214.334 0.736 10 0 BCAERO [NH3+][C@H]1[C@@H](Nc2nncs2)[C@H]2OCC[C@@H]12 ZINC000227448491 371864136 /nfs/dbraw/zinc/86/41/36/371864136.db2.gz URSKOWXTTVGWIZ-WNJXEPBRSA-N 1 0 212.278 0.065 10 0 BCAERO C[C@H](O)[C@H](C)[N@@H+]1CCC[C@@H](C)[C@@H]1CN ZINC000227485011 371873457 /nfs/dbraw/zinc/87/34/57/371873457.db2.gz IMFDRVVYKIDLQV-RCWTZXSCSA-N 1 0 200.326 0.815 10 0 BCAERO C[C@H](CN)[NH2+]C1CC(NC(=O)OC(C)(C)C)C1 ZINC000227581044 371900297 /nfs/dbraw/zinc/90/02/97/371900297.db2.gz CPDSNCBDVQCWMQ-XNWIYYODSA-N 1 0 243.351 0.979 10 0 BCAERO C[C@H]1CSC(NCC(C)(C)C(N)=O)=[NH+]1 ZINC000230404019 371906425 /nfs/dbraw/zinc/90/64/25/371906425.db2.gz CULOUEUMMPWXCL-LURJTMIESA-N 1 0 215.322 0.579 10 0 BCAERO C[C@]1(CN2C[C@@H]([NH3+])C2=O)CCCS1 ZINC000227628050 371907082 /nfs/dbraw/zinc/90/70/82/371907082.db2.gz YQXCUKUWYKUJHI-VXNVDRBHSA-N 1 0 200.307 0.442 10 0 BCAERO C[C@@]1(CN2C[C@@H]([NH3+])C2=O)CCCS1 ZINC000227628045 371907940 /nfs/dbraw/zinc/90/79/40/371907940.db2.gz YQXCUKUWYKUJHI-APPZFPTMSA-N 1 0 200.307 0.442 10 0 BCAERO CCS(=O)(=O)N1C[C@H]([NH3+])C[C@H](C)C1 ZINC000227682246 371919894 /nfs/dbraw/zinc/91/98/94/371919894.db2.gz KBQTWEUXQKDEHT-JGVFFNPUSA-N 1 0 206.311 0.005 10 0 BCAERO CC[N@@H+]1CCCN(C(N)=S)[C@@H](C)C1 ZINC000306372454 372015734 /nfs/dbraw/zinc/01/57/34/372015734.db2.gz NAIRIFDTQXIGQW-QMMMGPOBSA-N 1 0 201.339 0.646 10 0 BCAERO C[NH2+][C@H]1CCN(c2ncncc2Cl)C1 ZINC000163695266 372032488 /nfs/dbraw/zinc/03/24/88/372032488.db2.gz AHVUQCOEEHMNFK-ZETCQYMHSA-N 1 0 212.684 0.928 10 0 BCAERO Cc1nnc(C(=O)[C@@H]2CCCC[NH2+]2)n1C ZINC000306549180 372034227 /nfs/dbraw/zinc/03/42/27/372034227.db2.gz BXNPJCVSZIQTND-QMMMGPOBSA-N 1 0 208.265 0.448 10 0 BCAERO C[C@](O)(c1cnc(N)s1)[C@H]1CC[NH2+]C1 ZINC000306587265 372040380 /nfs/dbraw/zinc/04/03/80/372040380.db2.gz UQVOSLOPYOSVSM-IMTBSYHQSA-N 1 0 213.306 0.542 10 0 BCAERO COc1nc(C(=O)[C@@H]2CC[NH2+]C2)cs1 ZINC000306712836 372058617 /nfs/dbraw/zinc/05/86/17/372058617.db2.gz USYLQTKAKGAEGC-ZCFIWIBFSA-N 1 0 212.274 0.944 10 0 BCAERO CCN[C@]1(C(N)=O)CC[N@@H+]2CCCC[C@H]21 ZINC000228258847 372009303 /nfs/dbraw/zinc/00/93/03/372009303.db2.gz MUFJBHPGWAMDNL-GXSJLCMTSA-N 1 0 211.309 0.078 10 0 BCAERO O=[S@](C[C@@H]1C[NH2+]CCO1)C1CCCC1 ZINC000307276135 372106589 /nfs/dbraw/zinc/10/65/89/372106589.db2.gz USPHBSILSBXULQ-LKFCYVNXSA-N 1 0 217.334 0.666 10 0 BCAERO C[C@]1(CN=S(C)(C)=O)COC[C@H]1[NH3+] ZINC000307292245 372109164 /nfs/dbraw/zinc/10/91/64/372109164.db2.gz BKYHOSLMWZNERV-SFYZADRCSA-N 1 0 206.311 0.078 10 0 BCAERO [NH3+][C@H](CO)CNc1ccc(Cl)cn1 ZINC000306875316 372075126 /nfs/dbraw/zinc/07/51/26/372075126.db2.gz GZNMMMXLOGXIRZ-ZETCQYMHSA-N 1 0 201.657 0.467 10 0 BCAERO C[C@@H]1CN(S(C)(=O)=O)[C@H](C)[C@@H](C)[NH2+]1 ZINC000404338436 372082519 /nfs/dbraw/zinc/08/25/19/372082519.db2.gz DAGPSVCKGHHQRV-BWZBUEFSSA-N 1 0 206.311 0.017 10 0 BCAERO C[C@H](C[S@@](C)=O)Nc1cc(N)cc[nH+]1 ZINC000228961359 372097450 /nfs/dbraw/zinc/09/74/50/372097450.db2.gz DFNVKCJEHXMIIA-NXSYQRQQSA-N 1 0 213.306 0.843 10 0 BCAERO CC(C)(C)OC(=O)NCCN1CC[C@H]([NH3+])C1 ZINC000307217636 372097458 /nfs/dbraw/zinc/09/74/58/372097458.db2.gz MWCTUEWLYZOVKK-VIFPVBQESA-N 1 0 229.324 0.544 10 0 BCAERO C[C@@H]([NH3+])[C@H](O)c1c(Br)cnn1C ZINC000307642162 372134354 /nfs/dbraw/zinc/13/43/54/372134354.db2.gz LCQWSHBSDLIXGO-FBCQKBJTSA-N 1 0 234.097 0.563 10 0 BCAERO C[C@H]([NH3+])[C@H](O)c1c(Br)cnn1C ZINC000307642163 372134494 /nfs/dbraw/zinc/13/44/94/372134494.db2.gz LCQWSHBSDLIXGO-FFWSUHOLSA-N 1 0 234.097 0.563 10 0 BCAERO [NH3+]C[C@@H]1COCCN1[C@@H]1CCSC1 ZINC000405299746 372151046 /nfs/dbraw/zinc/15/10/46/372151046.db2.gz IUBQFJQTKWDWSR-RKDXNWHRSA-N 1 0 202.323 0.151 10 0 BCAERO CC(C)S(=O)(=O)[C@H]1CCCC[NH2+]C1 ZINC000229794782 372191464 /nfs/dbraw/zinc/19/14/64/372191464.db2.gz BGCHPMYIBOYFGT-VIFPVBQESA-N 1 0 205.323 0.952 10 0 BCAERO COCC[N@H+](C)CCNC(=O)N[C@H](C)C(C)C ZINC000171190192 372441709 /nfs/dbraw/zinc/44/17/09/372441709.db2.gz JJTZUBZVTPLMEM-LLVKDONJSA-N 1 0 245.367 0.908 10 0 BCAERO O=C(CC[NH2+]C1CCOCC1)N1CCCC1 ZINC000036304269 181918923 /nfs/dbraw/zinc/91/89/23/181918923.db2.gz GREAOMZLFCWPHV-UHFFFAOYSA-N 1 0 226.320 0.768 10 0 BCAERO C[C@H]1COCC[C@@H]1[NH2+][C@@H]1COCC[C@H]1O ZINC000631750401 372550961 /nfs/dbraw/zinc/55/09/61/372550961.db2.gz CWIOBFWGXFMRMX-UKKRHICBSA-N 1 0 215.293 0.151 10 0 BCAERO Cc1nccnc1CN1C[C@H](C)[C@H]([NH3+])C1 ZINC000631827074 372606414 /nfs/dbraw/zinc/60/64/14/372606414.db2.gz DSGZFECYFDUHMP-WCBMZHEXSA-N 1 0 206.293 0.564 10 0 BCAERO CCCn1ncnc1CN1C[C@H](C)[C@H](C[NH3+])C1 ZINC000631838057 372631635 /nfs/dbraw/zinc/63/16/35/372631635.db2.gz ZGOSFKPLWIZMAK-WDEREUQCSA-N 1 0 237.351 0.715 10 0 BCAERO CCn1c(C)nnc1CN1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631838364 372632068 /nfs/dbraw/zinc/63/20/68/372632068.db2.gz MZOAHIQSNQSNLQ-ONGXEEELSA-N 1 0 237.351 0.633 10 0 BCAERO CCn1c(C)nnc1CN1C[C@H](C)[C@H](C[NH3+])C1 ZINC000631838361 372632298 /nfs/dbraw/zinc/63/22/98/372632298.db2.gz MZOAHIQSNQSNLQ-GXSJLCMTSA-N 1 0 237.351 0.633 10 0 BCAERO C[C@@H]1CN(Cc2nc(C3CC3)no2)C[C@H]1C[NH3+] ZINC000631841999 372641765 /nfs/dbraw/zinc/64/17/65/372641765.db2.gz SUQCOOWFYNYEPY-PSASIEDQSA-N 1 0 236.319 0.974 10 0 BCAERO C[C@H]1CN(S(=O)(=O)C2(C)CC2)C[C@@H]1C[NH3+] ZINC000631965872 372703044 /nfs/dbraw/zinc/70/30/44/372703044.db2.gz JGBGGTDBQQSZBQ-IUCAKERBSA-N 1 0 232.349 0.395 10 0 BCAERO CCCS(=O)(=O)N1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631968386 372703491 /nfs/dbraw/zinc/70/34/91/372703491.db2.gz UUPVVROQFMZKJV-BDAKNGLRSA-N 1 0 220.338 0.253 10 0 BCAERO C[C@@H]1CN(S(=O)(=O)CC2CC2)C[C@@H]1C[NH3+] ZINC000631968144 372706656 /nfs/dbraw/zinc/70/66/56/372706656.db2.gz RUZUCLREWJBBNW-SCZZXKLOSA-N 1 0 232.349 0.253 10 0 BCAERO O=C(COC[C@H]1CCCC[NH2+]1)N1CCCC1 ZINC000051815995 181998265 /nfs/dbraw/zinc/99/82/65/181998265.db2.gz ADAKUZHTGLWHAH-LLVKDONJSA-N 1 0 226.320 0.768 10 0 BCAERO CCOC(=O)[C@H]1C[N@@H+](C(C)(C)C)CCN1 ZINC000039169642 372890398 /nfs/dbraw/zinc/89/03/98/372890398.db2.gz GDXARGDLBLJELV-SECBINFHSA-N 1 0 214.309 0.622 10 0 BCAERO O=C(C[C@@H]1CCCC[NH2+]1)N1CCCOCC1 ZINC000061933200 182015868 /nfs/dbraw/zinc/01/58/68/182015868.db2.gz PCMPRAWYVVKWGC-NSHDSACASA-N 1 0 226.320 0.768 10 0 BCAERO OCC[N@@H+](Cc1ccccc1)C[C@@H]1CO1 ZINC000039189497 372897160 /nfs/dbraw/zinc/89/71/60/372897160.db2.gz JMSXDKVGNSJVQG-GFCCVEGCSA-N 1 0 207.273 0.880 10 0 BCAERO O=C(C[C@@H]1CCC[NH2+]1)N1CCCC[C@@H]1CO ZINC000042166193 182018229 /nfs/dbraw/zinc/01/82/29/182018229.db2.gz CBBCAXSLXAZOIF-WDEREUQCSA-N 1 0 226.320 0.502 10 0 BCAERO O=C(C[C@@H]1CCC[NH2+]C1)Nc1ncccn1 ZINC000054305714 182019652 /nfs/dbraw/zinc/01/96/52/182019652.db2.gz OSYGGPCYYFXGHI-VIFPVBQESA-N 1 0 220.276 0.805 10 0 BCAERO O=C(C[C@@H]1CCCC[NH2+]1)N1CC[C@@H](O)C1 ZINC000061712609 182017099 /nfs/dbraw/zinc/01/70/99/182017099.db2.gz KARDHRUDBOTLLW-VHSXEESVSA-N 1 0 212.293 0.112 10 0 BCAERO O=C(C[C@@H]1CCC[NH2+]1)N1CCC[C@@H](O)C1 ZINC000048756124 182017514 /nfs/dbraw/zinc/01/75/14/182017514.db2.gz NWSVHNYPRHPDDN-VHSXEESVSA-N 1 0 212.293 0.112 10 0 BCAERO O=C(C[C@@H]1CCC[NH2+]1)Nc1ncccn1 ZINC000042165782 182017714 /nfs/dbraw/zinc/01/77/14/182017714.db2.gz QUPQOJCIGZFINO-QMMMGPOBSA-N 1 0 206.249 0.557 10 0 BCAERO O=C(C[C@H]1CCCC[NH2+]1)NC[C@@H]1CCOC1 ZINC000061147294 182027435 /nfs/dbraw/zinc/02/74/35/182027435.db2.gz QIXXWYYASIRNPF-WDEREUQCSA-N 1 0 226.320 0.671 10 0 BCAERO O=C(C[C@H]1CCCC[NH2+]1)N1CCC[C@@H]1CO ZINC000042435006 182027440 /nfs/dbraw/zinc/02/74/40/182027440.db2.gz IJDMKYROZSDPNM-GHMZBOCLSA-N 1 0 226.320 0.502 10 0 BCAERO O=C(C[C@H]1CCCC[NH2+]1)N1CC[C@H](O)C1 ZINC000061712608 182027700 /nfs/dbraw/zinc/02/77/00/182027700.db2.gz KARDHRUDBOTLLW-ZJUUUORDSA-N 1 0 212.293 0.112 10 0 BCAERO O=C(C[C@H]1CCC[NH2+]C1)N1CCC[C@H](O)C1 ZINC000054291312 182028428 /nfs/dbraw/zinc/02/84/28/182028428.db2.gz AEMXMVGHSOPTFR-MNOVXSKESA-N 1 0 226.320 0.359 10 0 BCAERO O=C1C(C[NH2+]CCO)=CC2=CC=C[C@H]3CCN1[C@H]23 ZINC000039287409 372930633 /nfs/dbraw/zinc/93/06/33/372930633.db2.gz SEWUJGNIPPMCNV-GWCFXTLKSA-N 1 0 246.310 0.222 10 0 BCAERO O=C(C[C@H]1CCC[NH2+]C1)N1CCC[C@@H](O)C1 ZINC000054291316 182028626 /nfs/dbraw/zinc/02/86/26/182028626.db2.gz AEMXMVGHSOPTFR-GHMZBOCLSA-N 1 0 226.320 0.359 10 0 BCAERO O=C(C[S@](=O)C1CCCC1)N1CC[NH2+]CC1 ZINC000082654903 182033004 /nfs/dbraw/zinc/03/30/04/182033004.db2.gz UVPJQQGYPUIBBQ-MRXNPFEDSA-N 1 0 244.360 0.110 10 0 BCAERO O=C(Cc1ccccn1)NC[C@H]1CCC[NH2+]C1 ZINC000044501623 182046682 /nfs/dbraw/zinc/04/66/82/182046682.db2.gz ZGALSHNXGCOJBC-NSHDSACASA-N 1 0 233.315 0.740 10 0 BCAERO O=C(Cc1cc[nH]n1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000173748891 182052526 /nfs/dbraw/zinc/05/25/26/182052526.db2.gz NWORGZAGERNBMP-NSHDSACASA-N 1 0 234.303 0.259 10 0 BCAERO O=C(N1CC[C@@H]2C[NH2+]C[C@@H]21)C(F)(F)F ZINC000039055515 182082570 /nfs/dbraw/zinc/08/25/70/182082570.db2.gz LVKYRHNOQJWUKM-RITPCOANSA-N 1 0 208.183 0.369 10 0 BCAERO O=C(NC1CCC(O)CC1)[C@@H]1CC[NH2+]C1 ZINC000062112049 182102794 /nfs/dbraw/zinc/10/27/94/182102794.db2.gz CEVWKDAFECXWQD-XNWIYYODSA-N 1 0 212.293 0.016 10 0 BCAERO O=C(NC1CCC(O)CC1)[C@H]1CCC[NH2+]1 ZINC000019409445 182103530 /nfs/dbraw/zinc/10/35/30/182103530.db2.gz JLPKNZFVNCISFD-UDNWOFFPSA-N 1 0 212.293 0.158 10 0 BCAERO O=C(NC1CC[NH2+]CC1)c1ccc(O)cc1 ZINC000019404917 182116242 /nfs/dbraw/zinc/11/62/42/182116242.db2.gz LOMDTTHYHKEXAG-UHFFFAOYSA-N 1 0 220.272 0.874 10 0 BCAERO O=C(NCC1CCC1)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188368509 182143936 /nfs/dbraw/zinc/14/39/36/182143936.db2.gz NOMURDZXQYBAEZ-DTWKUNHWSA-N 1 0 200.257 0.603 10 0 BCAERO C[C@H]1CCC[C@@H](CN)[N@@H+]1CC(C)(C)O ZINC000069722917 373653059 /nfs/dbraw/zinc/65/30/59/373653059.db2.gz ODRGMKGGYRTEKX-UWVGGRQHSA-N 1 0 200.326 0.959 10 0 BCAERO C[C@@H]1C[C@H](O)CCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC000633869874 373828111 /nfs/dbraw/zinc/82/81/11/373828111.db2.gz XATGPGQLNFUFDY-OUAUKWLOSA-N 1 0 226.320 0.310 10 0 BCAERO O=C1NCC[C@H]1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000178307786 134305884 /nfs/dbraw/zinc/30/58/84/134305884.db2.gz XYBZQXVYZCFESU-WDEREUQCSA-N 1 0 223.320 0.045 10 0 BCAERO O=C(NCC[C@@H]1CCCO1)[C@H]1CCC[NH2+]1 ZINC000038096833 182198842 /nfs/dbraw/zinc/19/88/42/182198842.db2.gz ZUSYGOBTCIGILJ-VHSXEESVSA-N 1 0 212.293 0.424 10 0 BCAERO CC[C@@]1(C)C[C@@]([NH2+]C)(C(N)=O)CCO1 ZINC000069893213 373970561 /nfs/dbraw/zinc/97/05/61/373970561.db2.gz BHHNTVWKOLIWJJ-VHSXEESVSA-N 1 0 200.282 0.409 10 0 BCAERO O=C(NC[C@H](O)C(F)(F)F)[C@H]1CCC[NH2+]C1 ZINC000225392075 182232009 /nfs/dbraw/zinc/23/20/09/182232009.db2.gz WAVBFZWHSLKTBO-BQBZGAKWSA-N 1 0 240.225 0.025 10 0 BCAERO O=C(NC[C@@H]1Cc2ccccc2O1)[C@H]1CC[NH2+]C1 ZINC000062115429 182230988 /nfs/dbraw/zinc/23/09/88/182230988.db2.gz PGNIBFMRGFWILB-RYUDHWBXSA-N 1 0 246.310 0.716 10 0 BCAERO COc1ccc([C@@H](O)C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000070458367 374143997 /nfs/dbraw/zinc/14/39/97/374143997.db2.gz GELSQVGWXKGRHL-AAEUAGOBSA-N 1 0 237.299 0.795 10 0 BCAERO O=C(NC[C@H]1CC[NH2+]C1)c1ccc2[nH]cnc2c1 ZINC000133616175 182242455 /nfs/dbraw/zinc/24/24/55/182242455.db2.gz YVKVXJZJJXRJTP-VIFPVBQESA-N 1 0 244.298 0.902 10 0 BCAERO O=C(NC[C@H]1CCOC1)[C@@H]1CCC[NH2+]C1 ZINC000037739065 182243639 /nfs/dbraw/zinc/24/36/39/182243639.db2.gz LEGLZORVRYPNHW-NXEZZACHSA-N 1 0 212.293 0.139 10 0 BCAERO O=C(NC[C@H]1CC2(C[NH2+]C2)CO1)C1CCC1 ZINC000096093765 182235358 /nfs/dbraw/zinc/23/53/58/182235358.db2.gz GFICLUMSKCKMNK-SNVBAGLBSA-N 1 0 224.304 0.281 10 0 BCAERO CC(C)C[C@@H]1CC[C@@H](S(N)(=O)=O)C[NH2+]1 ZINC000070632419 374168358 /nfs/dbraw/zinc/16/83/58/374168358.db2.gz ZDBHAWHIYSVOIS-DTWKUNHWSA-N 1 0 220.338 0.442 10 0 BCAERO O=C(NC[C@H]1CCC[NH2+]C1)c1ccc(=O)[nH]c1 ZINC000044501396 182238085 /nfs/dbraw/zinc/23/80/85/182238085.db2.gz KZAPYACOZYAAEZ-VIFPVBQESA-N 1 0 235.287 0.104 10 0 BCAERO C[C@@H](CN1C(=S)N=NC1N)[NH+](C)C ZINC000070883041 374224693 /nfs/dbraw/zinc/22/46/93/374224693.db2.gz GIPQPEZLYFKMQU-YFKPBYRVSA-N 1 0 201.299 0.099 10 0 BCAERO CON(C)C(=O)[C@@]1([NH3+])CCC[C@@H](C)C1 ZINC000070904534 374228279 /nfs/dbraw/zinc/22/82/79/374228279.db2.gz GMMDVDMJHOLCGE-PSASIEDQSA-N 1 0 200.282 0.914 10 0 BCAERO CCCCNC(=O)[C@H](C)N(C)[C@@H]1CCC[NH2+]C1 ZINC000104355846 168858258 /nfs/dbraw/zinc/85/82/58/168858258.db2.gz AYGMMRAAXRZDKV-NWDGAFQWSA-N 1 0 241.379 0.975 10 0 BCAERO CC(C)S(=O)(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000070957762 374235662 /nfs/dbraw/zinc/23/56/62/374235662.db2.gz IKICKTALKUNLAK-DTWKUNHWSA-N 1 0 220.338 0.312 10 0 BCAERO O=C(NCc1nccs1)C1CC[NH2+]CC1 ZINC000041013365 182273268 /nfs/dbraw/zinc/27/32/68/182273268.db2.gz ZNLWJRAININHHJ-UHFFFAOYSA-N 1 0 225.317 0.759 10 0 BCAERO CC[C@H]1CN(C(C)=O)CC[N@@H+]1C[C@H](C)O ZINC000246740167 374292684 /nfs/dbraw/zinc/29/26/84/374292684.db2.gz GDPKJNRXYDBHMX-ONGXEEELSA-N 1 0 214.309 0.310 10 0 BCAERO O=C(N[C@@H](CO)c1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000063003713 182288088 /nfs/dbraw/zinc/28/80/88/182288088.db2.gz MBFDVYVJZFLPKY-OLZOCXBDSA-N 1 0 248.326 0.836 10 0 BCAERO O=C(N[C@@H]1CC2CC[NH+](CC2)C1)c1ncccn1 ZINC000039073000 182290208 /nfs/dbraw/zinc/29/02/08/182290208.db2.gz DDJAHQFHOLSGHT-LLVKDONJSA-N 1 0 246.314 0.691 10 0 BCAERO O=C(N[C@@H]1CCCC[C@@H]1O)[C@@H]1CCC[NH2+]C1 ZINC000052009468 182292159 /nfs/dbraw/zinc/29/21/59/182292159.db2.gz YPUOZGNXCJHKFX-MXWKQRLJSA-N 1 0 226.320 0.406 10 0 BCAERO O=C(N[C@@H]1CCC[NH2+]C1)[C@@H]1C[C@@H]1C1CC1 ZINC000238117285 182293965 /nfs/dbraw/zinc/29/39/65/182293965.db2.gz DOCMQHJPJKHPGO-GMTAPVOTSA-N 1 0 208.305 0.901 10 0 BCAERO O=C(N[C@@H]1CCCOC1)[C@@H]1CCC[NH2+]C1 ZINC000071023614 182294557 /nfs/dbraw/zinc/29/45/57/182294557.db2.gz AABQEDQVMKMIQG-NXEZZACHSA-N 1 0 212.293 0.281 10 0 BCAERO O=C(N[C@@H]1CCCOC1)[C@H]1CC12CC[NH2+]CC2 ZINC000070256763 182294942 /nfs/dbraw/zinc/29/49/42/182294942.db2.gz MBYNNXJBZZTTEH-GHMZBOCLSA-N 1 0 238.331 0.671 10 0 BCAERO O=C(N[C@@H]1CCC[NH2+]C1)c1cccc(O)c1 ZINC000019387328 182295499 /nfs/dbraw/zinc/29/54/99/182295499.db2.gz HIIVAMBNWIDETK-SNVBAGLBSA-N 1 0 220.272 0.874 10 0 BCAERO O=C(N[C@H]1CCC[NH2+]C1)[C@@H]1C[C@@H]1C1CC1 ZINC000238142050 182329723 /nfs/dbraw/zinc/32/97/23/182329723.db2.gz DOCMQHJPJKHPGO-HBNTYKKESA-N 1 0 208.305 0.901 10 0 BCAERO O=C(N[C@H]1CCC[NH2+]C1)C1[C@@H]2CCC[C@H]12 ZINC000162982240 182329879 /nfs/dbraw/zinc/32/98/79/182329879.db2.gz IQEKTOQPMWCQQI-GKDVJIACSA-N 1 0 208.305 0.901 10 0 BCAERO O=C(N[C@H]1CCCOC1)[C@@H]1CCCC[NH2+]1 ZINC000071023605 182331067 /nfs/dbraw/zinc/33/10/67/182331067.db2.gz URICTURZKWPDFC-UWVGGRQHSA-N 1 0 212.293 0.424 10 0 BCAERO O=C(Nc1ccc(Cl)cn1)[C@@H]1C[NH2+]CCO1 ZINC000043707863 182353624 /nfs/dbraw/zinc/35/36/24/182353624.db2.gz UKJOJMWRLFMURU-QMMMGPOBSA-N 1 0 241.678 0.662 10 0 BCAERO O=C(Nc1c(F)cccc1F)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000020476397 182346068 /nfs/dbraw/zinc/34/60/68/182346068.db2.gz ARZGJAXABMGKBO-MUWHJKNJSA-N 1 0 242.225 0.626 10 0 BCAERO CCNC(=O)CN(C)C(=O)[C@@H]1CCC[C@@H](C)[NH2+]1 ZINC000049716931 170054312 /nfs/dbraw/zinc/05/43/12/170054312.db2.gz DYWJYHULIJETBX-ZJUUUORDSA-N 1 0 241.335 0.112 10 0 BCAERO O=C(Nc1nc2c(s1)C[NH2+]CC2)c1c[nH]cn1 ZINC000089681232 182398317 /nfs/dbraw/zinc/39/83/17/182398317.db2.gz UPPMRHPYSCKSKL-UHFFFAOYSA-N 1 0 249.299 0.764 10 0 BCAERO CC[NH2+][C@@H](C)CC(=O)N1CCC[C@H]1C(=O)NC ZINC000061272815 170138638 /nfs/dbraw/zinc/13/86/38/170138638.db2.gz ZSLDSQWBHFATAE-UWVGGRQHSA-N 1 0 241.335 0.112 10 0 BCAERO CNC(=O)CCN(C)C(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000178510726 134307424 /nfs/dbraw/zinc/30/74/24/134307424.db2.gz JNHIOAYYWMPRJY-VHSXEESVSA-N 1 0 241.335 0.098 10 0 BCAERO O=C(OC[C@H]1CCCCO1)[C@H]1CC[NH2+]C1 ZINC000062132515 182604350 /nfs/dbraw/zinc/60/43/50/182604350.db2.gz JRJIBBQBBZMVLT-VHSXEESVSA-N 1 0 213.277 0.708 10 0 BCAERO O=C(OC1CC2(C[NH2+]C2)C1)C(F)(F)F ZINC000250675807 182599302 /nfs/dbraw/zinc/59/93/02/182599302.db2.gz WORKYROETFILAU-UHFFFAOYSA-N 1 0 209.167 0.844 10 0 BCAERO O=C([C@@H]1CCC[NH2+]C1)N1CCc2ncccc2C1 ZINC000037643312 182617587 /nfs/dbraw/zinc/61/75/87/182617587.db2.gz FPMXJWRNTSTQBH-LLVKDONJSA-N 1 0 245.326 0.966 10 0 BCAERO O=S(=O)(C[C@@H]1CCC[NH2+]1)NC1CCCCC1 ZINC000049631829 182890482 /nfs/dbraw/zinc/89/04/82/182890482.db2.gz WHNNZPFRGCVZEG-NSHDSACASA-N 1 0 246.376 0.991 10 0 BCAERO O=S(=O)(C[C@H]1CC[NH2+]C1)c1ccncc1 ZINC000095073234 182890834 /nfs/dbraw/zinc/89/08/34/182890834.db2.gz ZOYXXOIEOWXFMJ-VIFPVBQESA-N 1 0 226.301 0.465 10 0 BCAERO O=S(=O)(Cc1cccnc1)C[C@@H]1CCC[NH2+]1 ZINC000095073191 182891025 /nfs/dbraw/zinc/89/10/25/182891025.db2.gz YTDGCKRTSPQZRU-NSHDSACASA-N 1 0 240.328 0.748 10 0 BCAERO O=S(=O)(NC1CCCC1)C1CC[NH2+]CC1 ZINC000049632012 182895024 /nfs/dbraw/zinc/89/50/24/182895024.db2.gz ZODSKRLPAADYLG-UHFFFAOYSA-N 1 0 232.349 0.600 10 0 BCAERO CC(C)NC(=O)CCCC(=O)NCC[C@@H](C)[NH3+] ZINC000178642833 134312327 /nfs/dbraw/zinc/31/23/27/134312327.db2.gz KNQBMFUAVILSCX-SNVBAGLBSA-N 1 0 243.351 0.535 10 0 BCAERO O=S1(=O)CCC([NH2+]CCN2CCCC2)CC1 ZINC000035652293 182907626 /nfs/dbraw/zinc/90/76/26/182907626.db2.gz FUISTZNLJJGSMI-UHFFFAOYSA-N 1 0 246.376 0.249 10 0 BCAERO O=S1(=O)CC[C@H](C[NH2+]Cc2cccnc2)C1 ZINC000037982633 182912759 /nfs/dbraw/zinc/91/27/59/182912759.db2.gz BSILGQLYEOIFMN-LLVKDONJSA-N 1 0 240.328 0.606 10 0 BCAERO O=S1(=O)C[C@H](O)[C@@H]([NH2+]CC2CCCCC2)C1 ZINC000037487402 182914257 /nfs/dbraw/zinc/91/42/57/182914257.db2.gz ZVKGJVVLACBSGY-QWRGUYRKSA-N 1 0 247.360 0.314 10 0 BCAERO O=c1[nH]c2ccc([C@@H](O)[C@@H]3CCC[NH2+]C3)cc2[nH]1 ZINC000036906312 182974747 /nfs/dbraw/zinc/97/47/47/182974747.db2.gz HEWYVOWUGSUDIM-BXKDBHETSA-N 1 0 247.298 0.889 10 0 BCAERO O=[S@@](Cc1cccnc1)C[C@@H]1CC[NH2+]C1 ZINC000095073693 182962978 /nfs/dbraw/zinc/96/29/78/182962978.db2.gz MJSCWDSGXDUCNV-IAQYHMDHSA-N 1 0 224.329 0.940 10 0 BCAERO O=[S@@](C[C@@H]1CC[NH2+]C1)c1ncccn1 ZINC000095073668 182963332 /nfs/dbraw/zinc/96/33/32/182963332.db2.gz HZCZWMPOXZVLFT-XLKFXECMSA-N 1 0 211.290 0.194 10 0 BCAERO O=[S@@](C[C@@H]1CCC[NH2+]1)c1ncc(Cl)cn1 ZINC000095070020 182963916 /nfs/dbraw/zinc/96/39/16/182963916.db2.gz OISSLVNAAAKSBB-VXJOIVPMSA-N 1 0 245.735 0.990 10 0 BCAERO O=[S@](C[C@H]1CC[NH2+]C1)c1ccccn1 ZINC000095073655 182967171 /nfs/dbraw/zinc/96/71/71/182967171.db2.gz WLUGWJLSLWZSMJ-XPTSAGLGSA-N 1 0 210.302 0.799 10 0 BCAERO O=c1[nH]c2ccc([C@H](O)[C@H]3CCC[NH2+]3)cc2o1 ZINC000062531320 182974369 /nfs/dbraw/zinc/97/43/69/182974369.db2.gz WDCMCFNHRXGNLX-KOLCDFICSA-N 1 0 234.255 0.907 10 0 BCAERO O=c1cccccc1N1CCC[NH2+]CC1 ZINC000015041905 183002903 /nfs/dbraw/zinc/00/29/03/183002903.db2.gz ORAIONXTCBSGFN-UHFFFAOYSA-N 1 0 204.273 0.847 10 0 BCAERO O=c1ccn(CC[NH2+]C2CCOCC2)cc1 ZINC000062767992 183003302 /nfs/dbraw/zinc/00/33/02/183003302.db2.gz BVFOTYCVQHCRDB-UHFFFAOYSA-N 1 0 222.288 0.617 10 0 BCAERO O=c1ccn(CC[NH2+]C(C2CC2)C2CC2)c(=O)[nH]1 ZINC000053526369 183003653 /nfs/dbraw/zinc/00/36/53/183003653.db2.gz HNQZUIVOBULBRV-UHFFFAOYSA-N 1 0 249.314 0.315 10 0 BCAERO O=c1ncccn1CC[NH2+]C1CCOCC1 ZINC000062767924 183011793 /nfs/dbraw/zinc/01/17/93/183011793.db2.gz HNYJOBNLSNESOD-UHFFFAOYSA-N 1 0 223.276 0.012 10 0 BCAERO O=c1ncccn1CCC[C@H]1CCC[NH2+]1 ZINC000052764807 183012015 /nfs/dbraw/zinc/01/20/15/183012015.db2.gz QRHYYNLSVJIBHT-SNVBAGLBSA-N 1 0 207.277 0.776 10 0 BCAERO O=c1ncccn1CC[NH2+]C1CCCC1 ZINC000053500235 183012141 /nfs/dbraw/zinc/01/21/41/183012141.db2.gz OZEKPWYMCNBFPT-UHFFFAOYSA-N 1 0 207.277 0.776 10 0 BCAERO OCCC[NH+]1CCC(Cn2cccn2)CC1 ZINC000105920136 183054553 /nfs/dbraw/zinc/05/45/53/183054553.db2.gz ZNMLAFGDPHGKDU-UHFFFAOYSA-N 1 0 223.320 0.978 10 0 BCAERO OCCC[NH2+][C@@H]1COc2cc(O)ccc21 ZINC000020188266 183059912 /nfs/dbraw/zinc/05/99/12/183059912.db2.gz SSCFFVZJFDYTBS-SNVBAGLBSA-N 1 0 209.245 0.798 10 0 BCAERO OCC[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000177698590 183077113 /nfs/dbraw/zinc/07/71/13/183077113.db2.gz HNLFIZFVIFDFKS-NSHDSACASA-N 1 0 221.304 0.808 10 0 BCAERO CCCC[C@H]([NH3+])C(=O)N(C)CCCC(=O)OC ZINC000037813231 169005933 /nfs/dbraw/zinc/00/59/33/169005933.db2.gz RAGSDFFRGMKIQG-JTQLQIEISA-N 1 0 244.335 0.916 10 0 BCAERO CCCC[C@H]([NH3+])[C@H](O)C(=O)NC1CC1 ZINC000095938245 169008940 /nfs/dbraw/zinc/00/89/40/169008940.db2.gz UEWOYZVFQJKJOL-IUCAKERBSA-N 1 0 200.282 0.143 10 0 BCAERO OC[C@@H]([NH2+]C[C@@H]1COCCO1)c1ccccc1 ZINC000353351993 183109605 /nfs/dbraw/zinc/10/96/05/183109605.db2.gz VUHDGOCDHXVJDE-CHWSQXEVSA-N 1 0 237.299 0.725 10 0 BCAERO CCCC[C@H]1[NH2+]CCc2c1c(C(N)=O)nn2C ZINC000083428466 169015017 /nfs/dbraw/zinc/01/50/17/169015017.db2.gz AXWBTXBDTNTSFU-MRVPVSSYSA-N 1 0 236.319 0.896 10 0 BCAERO CCCC[C@H](C[NH3+])NC(=O)[C@H](C)COC ZINC000162805120 169002039 /nfs/dbraw/zinc/00/20/39/169002039.db2.gz VSSGHQQCZTYHRF-NXEZZACHSA-N 1 0 216.325 0.903 10 0 BCAERO OC[C@@H]1C[C@H](OC(F)(F)C(F)(F)F)C[NH2+]1 ZINC000091252402 183131289 /nfs/dbraw/zinc/13/12/89/183131289.db2.gz GTJVFIABTBXPGR-WHFBIAKZSA-N 1 0 235.152 0.881 10 0 BCAERO OC[C@H]1CCC[N@H+](C[C@]2(CO)CCCOC2)C1 ZINC000104323243 183147904 /nfs/dbraw/zinc/14/79/04/183147904.db2.gz LQELWXFQSIIJBT-STQMWFEESA-N 1 0 243.347 0.480 10 0 BCAERO OC[C@H]1CCC[N@@H+]1C[C@]1(CO)CCCOC1 ZINC000082582531 183151359 /nfs/dbraw/zinc/15/13/59/183151359.db2.gz UTOAJZWRXBHRNW-NEPJUHHUSA-N 1 0 229.320 0.232 10 0 BCAERO OC[C@H]1C[C@H](OC(F)(F)C(F)(F)F)C[NH2+]1 ZINC000091252404 183156245 /nfs/dbraw/zinc/15/62/45/183156245.db2.gz GTJVFIABTBXPGR-UHNVWZDZSA-N 1 0 235.152 0.881 10 0 BCAERO OCc1ccc(C[NH2+][C@@H]2CCC[C@H]2O)o1 ZINC000164612015 183165225 /nfs/dbraw/zinc/16/52/25/183165225.db2.gz JZOWVXTUJLSLSQ-GHMZBOCLSA-N 1 0 211.261 0.775 10 0 BCAERO CCCN(C(=O)[C@@H](C)N1CC[NH2+]CC1)C(C)C ZINC000037096536 169043566 /nfs/dbraw/zinc/04/35/66/169043566.db2.gz KLMSNUDGILRFCA-GFCCVEGCSA-N 1 0 241.379 0.927 10 0 BCAERO OC[C@H]([C@H]1CC=CCC1)[NH+]1CCNCC1 ZINC000038120915 183145570 /nfs/dbraw/zinc/14/55/70/183145570.db2.gz SKZVSHGDBLAYMK-NWDGAFQWSA-N 1 0 210.321 0.609 10 0 BCAERO CCCN(C(=O)[C@H]1C[C@H](O)C[NH2+]1)C1CC1 ZINC000037097382 169046876 /nfs/dbraw/zinc/04/68/76/169046876.db2.gz MFUBGWINNVQAMR-VHSXEESVSA-N 1 0 212.293 0.110 10 0 BCAERO O[C@@H]1CC[NH2+]C2(CN(Cc3ccccc3)C2)C1 ZINC000082344273 183199782 /nfs/dbraw/zinc/19/97/82/183199782.db2.gz LJKUGTLDECXANS-CYBMUJFWSA-N 1 0 232.327 0.985 10 0 BCAERO O[C@@H]1CN(Cc2ccccc2)C[C@H]2[NH2+]CC[C@H]21 ZINC000083331792 183206868 /nfs/dbraw/zinc/20/68/68/183206868.db2.gz SGNZBLMJLIIMTI-MGPQQGTHSA-N 1 0 232.327 0.841 10 0 BCAERO CCCN(CC(=O)OC)C(=O)[C@@H]1CCC[NH2+]C1 ZINC000037813025 169100324 /nfs/dbraw/zinc/10/03/24/169100324.db2.gz LUCPUIXATZACHG-SNVBAGLBSA-N 1 0 242.319 0.398 10 0 BCAERO CCCN(CC(=O)OC)C(=O)CCCCC[NH3+] ZINC000037813040 169100516 /nfs/dbraw/zinc/10/05/16/169100516.db2.gz VRPRXWAADORHAJ-UHFFFAOYSA-N 1 0 244.335 0.917 10 0 BCAERO CCC[N@H+](C)CC[C@@H](N)C(=O)OCC ZINC000062445428 169079150 /nfs/dbraw/zinc/07/91/50/169079150.db2.gz SLYXUUBMFPGFKV-SECBINFHSA-N 1 0 202.298 0.609 10 0 BCAERO O[C@H](CNC1=[NH+]CCN1)c1ccccc1 ZINC000006116197 183222615 /nfs/dbraw/zinc/22/26/15/183222615.db2.gz LLVCMHDFMXAXMV-SNVBAGLBSA-N 1 0 205.261 0.269 10 0 BCAERO O[C@H]1CCCC[C@@H]1[NH2+]CCN1CCOCC1 ZINC000037490723 183231340 /nfs/dbraw/zinc/23/13/40/183231340.db2.gz UYCBDOWSNMVREL-RYUDHWBXSA-N 1 0 228.336 0.212 10 0 BCAERO CCCN(C)S(=O)(=O)N[C@H]1CCC[NH2+][C@@H]1C ZINC000193450612 169084106 /nfs/dbraw/zinc/08/41/06/169084106.db2.gz BQBTWGWABAOVBB-ZJUUUORDSA-N 1 0 249.380 0.303 10 0 BCAERO O[C@H](COC[C@@H]1C[NH2+]CCO1)c1ccccc1 ZINC000033898867 183226181 /nfs/dbraw/zinc/22/61/81/183226181.db2.gz DWFJZBRYOXLXHU-QWHCGFSZSA-N 1 0 237.299 0.725 10 0 BCAERO O[C@@H]1COC[C@@H]1[NH2+]CCc1ccccc1 ZINC000037878385 183209478 /nfs/dbraw/zinc/20/94/78/183209478.db2.gz ZGAJKKGINOTABQ-NWDGAFQWSA-N 1 0 207.273 0.578 10 0 BCAERO O[C@@H]1COC[C@@H]1[NH2+]CCc1cccs1 ZINC000037880448 183209671 /nfs/dbraw/zinc/20/96/71/183209671.db2.gz SOROHSDYGDKAIA-VHSXEESVSA-N 1 0 213.302 0.640 10 0 BCAERO CCCN(CC(=O)NC)C(=O)[C@H]([NH3+])[C@@H](C)CC ZINC000038101024 169093962 /nfs/dbraw/zinc/09/39/62/169093962.db2.gz YIKMTKXIMLMCKA-GXSJLCMTSA-N 1 0 243.351 0.344 10 0 BCAERO O[C@H]1CCC[C@H]1C[NH2+]Cc1cncnc1 ZINC000084229019 183238562 /nfs/dbraw/zinc/23/85/62/183238562.db2.gz LSPDFHLTCBKJFT-QWRGUYRKSA-N 1 0 207.277 0.727 10 0 BCAERO O[C@H]1COC[C@H]1[NH2+]Cc1ccc(F)cc1 ZINC000037880029 183247066 /nfs/dbraw/zinc/24/70/66/183247066.db2.gz WJZPHIDOFXUGAF-MNOVXSKESA-N 1 0 211.236 0.675 10 0 BCAERO O[C@H]1COC[C@H]1[NH2+]Cc1cccc(F)c1 ZINC000037884546 183247155 /nfs/dbraw/zinc/24/71/55/183247155.db2.gz GHIMVOUEMOBCHQ-MNOVXSKESA-N 1 0 211.236 0.675 10 0 BCAERO CCC[N@H+](CC)CC[C@H](N)C(=O)OCC ZINC000062447225 169123804 /nfs/dbraw/zinc/12/38/04/169123804.db2.gz MJRILPXFXLWEMX-JTQLQIEISA-N 1 0 216.325 0.999 10 0 BCAERO CCC[N@H+](CC)CC[C@@H](N)C(=O)OCC ZINC000062447228 169124021 /nfs/dbraw/zinc/12/40/21/169124021.db2.gz MJRILPXFXLWEMX-SNVBAGLBSA-N 1 0 216.325 0.999 10 0 BCAERO O[C@H]1CCCC[C@H]1[NH2+]Cc1ccncn1 ZINC000054789919 183234124 /nfs/dbraw/zinc/23/41/24/183234124.db2.gz LMTGKXQOXOOCEU-MNOVXSKESA-N 1 0 207.277 0.870 10 0 BCAERO O[C@H]1CCC[C@H]1[NH2+]CCN1CCCCC1 ZINC000049575146 183237832 /nfs/dbraw/zinc/23/78/32/183237832.db2.gz MGCFAKGCZNOBQE-NEPJUHHUSA-N 1 0 212.337 0.975 10 0 BCAERO CCCN(CCC)S(=O)(=O)CC[NH3+] ZINC000011755731 169150473 /nfs/dbraw/zinc/15/04/73/169150473.db2.gz GGCOWROXKHZFSU-UHFFFAOYSA-N 1 0 208.327 0.397 10 0 BCAERO CCCN(CCC)[C@H]1CS(=O)(=O)C[C@@H]1[NH3+] ZINC000031990098 169152803 /nfs/dbraw/zinc/15/28/03/169152803.db2.gz JIGFACSMKHCGPE-UWVGGRQHSA-N 1 0 234.365 0.233 10 0 BCAERO CCCN(CCC[NH3+])CC(=O)NCCCOC ZINC000049282679 169155321 /nfs/dbraw/zinc/15/53/21/169155321.db2.gz YDIPCIVCGXKEKL-UHFFFAOYSA-N 1 0 245.367 0.200 10 0 BCAERO CCC[N@H+](CCN)CCCn1ccnc1 ZINC000049327528 169157763 /nfs/dbraw/zinc/15/77/63/169157763.db2.gz UBJNUTBRGPDTRP-UHFFFAOYSA-N 1 0 210.325 0.944 10 0 BCAERO CCCN(CC[NH2+]C)c1nccn(CC)c1=O ZINC000061795780 169159069 /nfs/dbraw/zinc/15/90/69/169159069.db2.gz VQPDLMZYIISEHH-UHFFFAOYSA-N 1 0 238.335 0.699 10 0 BCAERO CCCN(CC[C@H]1CCCC[NH2+]1)CC(=O)NC ZINC000042405124 169169912 /nfs/dbraw/zinc/16/99/12/169169912.db2.gz WFILGXCYSIDOAT-GFCCVEGCSA-N 1 0 241.379 0.977 10 0 BCAERO CCCN1C(=O)C[C@@H]([NH2+][C@H]2CCCOC2)C1=O ZINC000103965428 169184847 /nfs/dbraw/zinc/18/48/47/169184847.db2.gz FQYLKEAAHFGEJD-VHSXEESVSA-N 1 0 240.303 0.293 10 0 BCAERO CCCN1C(=O)C[C@H]([NH2+]C[C@@H](C)N(C)C)C1=O ZINC000038089020 169184916 /nfs/dbraw/zinc/18/49/16/169184916.db2.gz FNRAZHNBKGQYAO-ZJUUUORDSA-N 1 0 241.335 0.064 10 0 BCAERO CCC[NH+]1CCC(N)(c2ncon2)CC1 ZINC000036762018 169186422 /nfs/dbraw/zinc/18/64/22/169186422.db2.gz LWLKQLKTNJRDIS-UHFFFAOYSA-N 1 0 210.281 0.729 10 0 BCAERO CCC[N@@H+]1CCC[C@@H]([C@@H](C)NCC(=O)NC)C1 ZINC000037224635 169194328 /nfs/dbraw/zinc/19/43/28/169194328.db2.gz UWDMMAQDASMQHQ-VXGBXAGGSA-N 1 0 241.379 0.833 10 0 BCAERO CCC[N@@H+]1CCC[C@@H]([C@@H](C)N[C@@H](C)C(N)=O)C1 ZINC000035792362 169194850 /nfs/dbraw/zinc/19/48/50/169194850.db2.gz OFKMPAXLSAAIQA-GRYCIOLGSA-N 1 0 241.379 0.960 10 0 BCAERO CCC[NH+]1CCN(C(=O)[C@H]2CSCN2)CC1 ZINC000019425359 169201336 /nfs/dbraw/zinc/20/13/36/169201336.db2.gz HVLFVJZJXHLVEG-SNVBAGLBSA-N 1 0 243.376 0.203 10 0 BCAERO CCCN1CCN(C(=O)[C@@]2(C)CC[NH2+]C2)CC1 ZINC000062889598 169201794 /nfs/dbraw/zinc/20/17/94/169201794.db2.gz ZDSQKWWLZOQASA-ZDUSSCGKSA-N 1 0 239.363 0.540 10 0 BCAERO CCCN1CCN(C(=O)[C@]2(C)CC[NH2+]C2)CC1 ZINC000062889597 169202163 /nfs/dbraw/zinc/20/21/63/169202163.db2.gz ZDSQKWWLZOQASA-CYBMUJFWSA-N 1 0 239.363 0.540 10 0 BCAERO CCCNC(=O)CNC(=O)[C@H]1CCC[C@@H](C)[NH2+]1 ZINC000036781278 169225324 /nfs/dbraw/zinc/22/53/24/169225324.db2.gz AZIKQLBYZYUSCC-NXEZZACHSA-N 1 0 241.335 0.159 10 0 BCAERO CCCNC(=O)CNC[C@H](C)C[NH+]1CCCC1 ZINC000062072207 169226548 /nfs/dbraw/zinc/22/65/48/169226548.db2.gz CIZGSXHMFJQENT-LBPRGKRZSA-N 1 0 241.379 0.834 10 0 BCAERO c1cc(NCCN2CCOCC2)cc[nH+]1 ZINC000021021338 183357424 /nfs/dbraw/zinc/35/74/24/183357424.db2.gz OWYNTXKPMXLHRS-UHFFFAOYSA-N 1 0 207.277 0.826 10 0 BCAERO c1nnnn1-c1ccc(NC2CC[NH2+]CC2)cc1 ZINC000038040619 183333986 /nfs/dbraw/zinc/33/39/86/183333986.db2.gz GQBWECQBNKTSMJ-UHFFFAOYSA-N 1 0 244.302 0.826 10 0 BCAERO CCCNC(=S)N[C@H]1C[NH+]2CCC1CC2 ZINC000135779753 169254447 /nfs/dbraw/zinc/25/44/47/169254447.db2.gz NRNSXRNOJROQHK-JTQLQIEISA-N 1 0 227.377 0.955 10 0 BCAERO CCC[NH2+]CC(=O)N1CCCO[C@H](C)C1 ZINC000061920256 169255520 /nfs/dbraw/zinc/25/55/20/169255520.db2.gz MGUIYQYPTQHQMS-SNVBAGLBSA-N 1 0 214.309 0.623 10 0 BCAERO CCC[NH2+]C1CCN([C@H](C)C(=O)NCC)CC1 ZINC000037537103 169255901 /nfs/dbraw/zinc/25/59/01/169255901.db2.gz AGRIFQBYXSLFIH-LLVKDONJSA-N 1 0 241.379 0.975 10 0 BCAERO CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2CC(N)=O ZINC000054601564 169256087 /nfs/dbraw/zinc/25/60/87/169256087.db2.gz JYUYZQDDTLEMOE-YOGCLGLASA-N 1 0 239.363 0.857 10 0 BCAERO CCC[NH2+]CCNC(=O)c1ncncc1Cl ZINC000236833358 169258944 /nfs/dbraw/zinc/25/89/44/169258944.db2.gz MPYIQIXTYYQENW-UHFFFAOYSA-N 1 0 242.710 0.859 10 0 BCAERO c1cc(CCNC2=[NH+]CCN2)cc2c1OCO2 ZINC000000017382 183368664 /nfs/dbraw/zinc/36/86/64/183368664.db2.gz JYCNQQXAHAJJLS-UHFFFAOYSA-N 1 0 233.271 0.507 10 0 BCAERO CCC[NH2+]CCc1ccc(S(N)(=O)=O)cc1 ZINC000042477345 169261665 /nfs/dbraw/zinc/26/16/65/169261665.db2.gz LFOUSYVUJKLSBJ-UHFFFAOYSA-N 1 0 242.344 0.876 10 0 BCAERO CCC[NH2+]C[C@@H]1CCCCN1c1nnnn1C ZINC000062939671 169262345 /nfs/dbraw/zinc/26/23/45/169262345.db2.gz ZZPWYAFPYSEVLU-JTQLQIEISA-N 1 0 238.339 0.569 10 0 BCAERO CCCNC(=O)[C@@H](C)NC(=O)[C@@H](C)C[NH2+]CC ZINC000061231360 169242020 /nfs/dbraw/zinc/24/20/20/169242020.db2.gz YERHZTJUAKYRIL-VHSXEESVSA-N 1 0 243.351 0.263 10 0 BCAERO CCCNC(=O)[C@@H](C)NC(=[NH2+])NC1CC1 ZINC000052044970 169242779 /nfs/dbraw/zinc/24/27/79/169242779.db2.gz XFOOEJZZGLBQAK-SSDOTTSWSA-N 1 0 212.297 0.177 10 0 BCAERO CCCNC(=O)[C@H](C)NC(=O)[C@]1(C)CC[NH2+]C1 ZINC000062892195 169245659 /nfs/dbraw/zinc/24/56/59/169245659.db2.gz MWVUUCGBWQFLFG-JOYOIKCWSA-N 1 0 241.335 0.017 10 0 BCAERO c1ccc(-n2nnnc2NCC[NH2+]C2CC2)cc1 ZINC000054267899 183387713 /nfs/dbraw/zinc/38/77/13/183387713.db2.gz OPDISYRJAFLGOB-UHFFFAOYSA-N 1 0 244.302 0.826 10 0 BCAERO CCC[NH2+]C[C@H]1CCCN(CC(=O)N(C)C)C1 ZINC000104417203 169264412 /nfs/dbraw/zinc/26/44/12/169264412.db2.gz LXPMXHPPJSTQGH-GFCCVEGCSA-N 1 0 241.379 0.786 10 0 BCAERO CCC[NH2+]C[C@H]1CCCN([C@@H](CC)C(N)=O)C1 ZINC000104421519 169264701 /nfs/dbraw/zinc/26/47/01/169264701.db2.gz BQJPIFCGZWWJQU-NEPJUHHUSA-N 1 0 241.379 0.962 10 0 BCAERO CCC[NH2+]C[C@H]1CCCN(CCOCCO)C1 ZINC000104414699 169264813 /nfs/dbraw/zinc/26/48/13/169264813.db2.gz VKIMZEDOERZRPN-CYBMUJFWSA-N 1 0 244.379 0.707 10 0 BCAERO CCCNS(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000019422805 169272456 /nfs/dbraw/zinc/27/24/56/169272456.db2.gz ZKCPKNVHNJCJFO-MRVPVSSYSA-N 1 0 206.311 0.068 10 0 BCAERO CCCNS(=O)(=O)c1cc(C[NH3+])ccc1F ZINC000020188772 169272525 /nfs/dbraw/zinc/27/25/25/169272525.db2.gz SIFARQMYGFHTOR-UHFFFAOYSA-N 1 0 246.307 0.973 10 0 BCAERO CCC[NH2+][C@@H](C)CCN1CCN(C)C(=O)C1=O ZINC000061797728 169275327 /nfs/dbraw/zinc/27/53/27/169275327.db2.gz CESJOMNYDSFROK-JTQLQIEISA-N 1 0 241.335 0.065 10 0 BCAERO CCC[NH2+][C@@H]1CCc2nc(N)oc2C1=O ZINC000226821281 169282812 /nfs/dbraw/zinc/28/28/12/169282812.db2.gz XBZZYUCCVFFEBX-ZCFIWIBFSA-N 1 0 209.249 0.754 10 0 BCAERO CCCOCC(=O)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000104505572 169301484 /nfs/dbraw/zinc/30/14/84/169301484.db2.gz MSAOSDMVWFLTQA-LLVKDONJSA-N 1 0 228.336 0.823 10 0 BCAERO CCCOCC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000195450666 169302992 /nfs/dbraw/zinc/30/29/92/169302992.db2.gz UHMHPHPFMYNNOV-LLVKDONJSA-N 1 0 226.320 0.720 10 0 BCAERO CCCOCCC(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000054434617 169309042 /nfs/dbraw/zinc/30/90/42/169309042.db2.gz STHHSKXEGMOCIK-LLVKDONJSA-N 1 0 228.336 0.919 10 0 BCAERO CCCOCCOC[C@@](C)([NH2+]C1CC1)C(N)=O ZINC000104230181 169309859 /nfs/dbraw/zinc/30/98/59/169309859.db2.gz JCFGLKQRHASEBO-GFCCVEGCSA-N 1 0 244.335 0.426 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)NC1CCC(O)CC1 ZINC000036872625 169387736 /nfs/dbraw/zinc/38/77/36/169387736.db2.gz DDMBEECKWKIECH-UDNWOFFPSA-N 1 0 214.309 0.534 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)N1[C@H](C)COC[C@@H]1C ZINC000161572630 169387841 /nfs/dbraw/zinc/38/78/41/169387841.db2.gz RNYREIQHFQXIHM-KXUCPTDWSA-N 1 0 214.309 0.750 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)N(CCCOC)CCOC ZINC000037901858 169387949 /nfs/dbraw/zinc/38/79/49/169387949.db2.gz AQBAWHIIWOMHDU-LLVKDONJSA-N 1 0 246.351 0.625 10 0 BCAERO CC(C)(C[NH3+])NC(=O)c1ncncc1Cl ZINC000178872651 134316341 /nfs/dbraw/zinc/31/63/41/134316341.db2.gz FMDXLIGMRIUXRE-UHFFFAOYSA-N 1 0 228.683 0.597 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)NCc1ccnc(C)n1 ZINC000038038172 169390153 /nfs/dbraw/zinc/39/01/53/169390153.db2.gz SBHOEVMXUGQBSB-SNVBAGLBSA-N 1 0 222.292 0.529 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)NCCC(=O)N[C@H](C)CC ZINC000038014986 169389006 /nfs/dbraw/zinc/38/90/06/169389006.db2.gz IPRVXQVOKPDKOJ-NXEZZACHSA-N 1 0 243.351 0.535 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)NCCNC(=O)C(C)(C)C ZINC000236945940 169389066 /nfs/dbraw/zinc/38/90/66/169389066.db2.gz BETYUXPSBPPLHW-SECBINFHSA-N 1 0 243.351 0.392 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)NCCc1cccnc1 ZINC000037718413 169389239 /nfs/dbraw/zinc/38/92/39/169389239.db2.gz LGHCJXPCPNYGKR-LLVKDONJSA-N 1 0 221.304 0.868 10 0 BCAERO CCOC(=O)CCCC[N@@H+]1C[C@H](O)C[C@@H]1CO ZINC000179182579 134317842 /nfs/dbraw/zinc/31/78/42/134317842.db2.gz PJOSJGFOFUBRJM-GHMZBOCLSA-N 1 0 245.319 0.147 10 0 BCAERO [NH3+]C[C@H]1C[C@H](F)CN1Cc1ncccn1 ZINC000396434474 259600760 /nfs/dbraw/zinc/60/07/60/259600760.db2.gz YIPDFACMUHONGW-DTWKUNHWSA-N 1 0 210.256 0.348 10 0 BCAERO C[NH2+]C[C@H]1C[C@H](F)CN1c1nnc(C)o1 ZINC000396472088 259601404 /nfs/dbraw/zinc/60/14/04/259601404.db2.gz PYPUGRMLELSGDF-JGVFFNPUSA-N 1 0 214.244 0.514 10 0 BCAERO CC(C)(C)OC(=O)N1CC([C@@H](O)C[NH3+])C1 ZINC000082970184 166644559 /nfs/dbraw/zinc/64/45/59/166644559.db2.gz JTCYRQZFSHTYFE-QMMMGPOBSA-N 1 0 216.281 0.173 10 0 BCAERO CC[C@@H](C(N)=O)[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000171081655 535452500 /nfs/dbraw/zinc/45/25/00/535452500.db2.gz RHJWFTAXPAXSHV-NSHDSACASA-N 1 0 236.319 0.853 10 0 BCAERO CCC[C@@H]1NC(=O)N(C[C@@H]2CCC[NH2+]C2)C1=O ZINC000043493715 169443542 /nfs/dbraw/zinc/44/35/42/169443542.db2.gz PFQPRWVZXHZOER-ZJUUUORDSA-N 1 0 239.319 0.707 10 0 BCAERO CC(C)(C)OC(=O)N1CCOC[C@H]1CC(N)=[NH2+] ZINC000096894524 166650653 /nfs/dbraw/zinc/65/06/53/166650653.db2.gz AWDRDFWOLQZKNC-MRVPVSSYSA-N 1 0 243.307 0.948 10 0 BCAERO CC(C)(C)OC(=O)N1CC[C@@H](CC[NH3+])[C@H](O)C1 ZINC000096985385 166652695 /nfs/dbraw/zinc/65/26/95/166652695.db2.gz HKJKGZYGTNQPKC-NXEZZACHSA-N 1 0 244.335 0.953 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N(CC(N)=O)CC(C)C ZINC000037818962 169500244 /nfs/dbraw/zinc/50/02/44/169500244.db2.gz VCEWIEHRPMURAK-VIFPVBQESA-N 1 0 229.324 0.084 10 0 BCAERO CC(C)(C)OC(=O)N1C[C@@H]2COC[C@@H]([NH3+])[C@@H]2C1 ZINC000091304431 166657969 /nfs/dbraw/zinc/65/79/69/166657969.db2.gz UUSIZBLENLFLQH-OPRDCNLKSA-N 1 0 242.319 0.827 10 0 BCAERO CC(C)(C)OC(=O)NN1CCC[C@@H]([NH3+])C1 ZINC000039093925 166664147 /nfs/dbraw/zinc/66/41/47/166664147.db2.gz AWEBBLKGLHWRJU-MRVPVSSYSA-N 1 0 215.297 0.849 10 0 BCAERO CCC[C@H]1NC(=O)N(C[C@@H]2CCC[NH2+]C2)C1=O ZINC000043493711 169540018 /nfs/dbraw/zinc/54/00/18/169540018.db2.gz PFQPRWVZXHZOER-NXEZZACHSA-N 1 0 239.319 0.707 10 0 BCAERO CCOC(=O)CN1C[C@@H](C)[C@@H]([NH+](C)C)C1 ZINC000226081303 134358410 /nfs/dbraw/zinc/35/84/10/134358410.db2.gz IPGWMJUVIQYADT-ZJUUUORDSA-N 1 0 214.309 0.431 10 0 BCAERO CCN(C(=O)[C@@H]1C[C@H](OC)C[NH2+]1)[C@H](C)COC ZINC000042276992 169650921 /nfs/dbraw/zinc/65/09/21/169650921.db2.gz ZBMABMZLPKOXJH-VWYCJHECSA-N 1 0 244.335 0.247 10 0 BCAERO CCOC[C@@H](O)C[N@@H+]1CCS[C@@H](C)C1 ZINC000226656793 134368634 /nfs/dbraw/zinc/36/86/34/134368634.db2.gz NGYPBNPPGQQYDC-UWVGGRQHSA-N 1 0 219.350 0.821 10 0 BCAERO COC(=O)CCN1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000070078111 383858833 /nfs/dbraw/zinc/85/88/33/383858833.db2.gz APEQNUQKXYEKRF-IUCAKERBSA-N 1 0 200.282 0.232 10 0 BCAERO COC(=O)[C@H](C)CNC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000237104647 383888065 /nfs/dbraw/zinc/88/80/65/383888065.db2.gz XKCQOVNEVXVXOO-IWSPIJDZSA-N 1 0 228.292 0.039 10 0 BCAERO C[C@@H](O)C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000088022855 383889914 /nfs/dbraw/zinc/88/99/14/383889914.db2.gz QAFNPPUNRXUSJO-IJLUTSLNSA-N 1 0 213.321 0.994 10 0 BCAERO [NH3+][C@H]1CCN(CC(=O)c2ccc3c(c2)OCO3)C1 ZINC000050242521 383986606 /nfs/dbraw/zinc/98/66/06/383986606.db2.gz CIXNUHMBAFHTDY-JTQLQIEISA-N 1 0 248.282 0.631 10 0 BCAERO CN(C(=O)[C@@H]1C[NH2+]CCOC1)c1ccccc1 ZINC000643614156 383994445 /nfs/dbraw/zinc/99/44/45/383994445.db2.gz LMHHVEFGSFNIMP-LLVKDONJSA-N 1 0 234.299 0.885 10 0 BCAERO Cc1nc(C[NH3+])cc(N(C)CCc2cn[nH]c2)n1 ZINC000067674500 383937119 /nfs/dbraw/zinc/93/71/19/383937119.db2.gz FCCJTSFRXRGFMT-UHFFFAOYSA-N 1 0 246.318 0.646 10 0 BCAERO CSC[C@H](O)C[NH2+][C@@H]1CCO[C@@H]1C ZINC000348231281 383948146 /nfs/dbraw/zinc/94/81/46/383948146.db2.gz ZEBIRNGCFFMCEY-IWSPIJDZSA-N 1 0 205.323 0.477 10 0 BCAERO c1ccc(COC[C@H]2C[NH2+]CCN2)cc1 ZINC000112950643 383960832 /nfs/dbraw/zinc/96/08/32/383960832.db2.gz AVMGGTFIYSXJAF-GFCCVEGCSA-N 1 0 206.289 0.765 10 0 BCAERO c1ccc(COC[C@@H]2C[NH2+]CCN2)cc1 ZINC000112950645 383961035 /nfs/dbraw/zinc/96/10/35/383961035.db2.gz AVMGGTFIYSXJAF-LBPRGKRZSA-N 1 0 206.289 0.765 10 0 BCAERO CC1CCN(C(=O)[C@@H]2C[NH2+]CCOC2)CC1 ZINC000643616145 384005217 /nfs/dbraw/zinc/00/52/17/384005217.db2.gz LLRIBLGGLQXDIW-LLVKDONJSA-N 1 0 226.320 0.481 10 0 BCAERO Cc1cnccc1CNC(=O)[C@@H]1C[NH2+]CCOC1 ZINC000643778479 384006464 /nfs/dbraw/zinc/00/64/64/384006464.db2.gz FGOCIQLFOMNFPP-GFCCVEGCSA-N 1 0 249.314 0.242 10 0 BCAERO CCC(C)(C)NC(=O)[C@@H]1C[NH2+]CCOC1 ZINC000643616219 384006428 /nfs/dbraw/zinc/00/64/28/384006428.db2.gz OIEZJFSKTNPOBW-SECBINFHSA-N 1 0 214.309 0.527 10 0 BCAERO C[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[NH2+]CCOC1 ZINC000643617150 384010692 /nfs/dbraw/zinc/01/06/92/384010692.db2.gz SDVOOGAPEAYNIQ-IJLUTSLNSA-N 1 0 240.347 0.917 10 0 BCAERO Cc1cnc(NC(=O)[C@@H]2C[NH2+]CCOC2)s1 ZINC000643617270 384011202 /nfs/dbraw/zinc/01/12/02/384011202.db2.gz XECOYTCHTDWWAH-MRVPVSSYSA-N 1 0 241.316 0.626 10 0 BCAERO CC(C)[C@H](C)NC(=O)[C@@H]1C[NH2+]CCOC1 ZINC000643617766 384012454 /nfs/dbraw/zinc/01/24/54/384012454.db2.gz OLRGTQRGJRSTCE-VHSXEESVSA-N 1 0 214.309 0.383 10 0 BCAERO C[C@@H](NC1=[NH+]CCS1)c1nncn1C ZINC000050420781 384038907 /nfs/dbraw/zinc/03/89/07/384038907.db2.gz NMQMKKDNWRPEEF-ZCFIWIBFSA-N 1 0 211.294 0.569 10 0 BCAERO Cc1ccc(C[NH3+])cc1NS(C)(=O)=O ZINC000050430746 384041997 /nfs/dbraw/zinc/04/19/97/384041997.db2.gz KTMIORNWBQNWCZ-UHFFFAOYSA-N 1 0 214.290 0.825 10 0 BCAERO C[NH2+][C@@H](C)CNc1ncnc2c1cnn2C ZINC000304238450 384088807 /nfs/dbraw/zinc/08/88/07/384088807.db2.gz CNSCAJDRHBFMAI-ZETCQYMHSA-N 1 0 220.280 0.383 10 0 BCAERO C[NH2+]CC(=O)Nc1ccc(C2OCCO2)cc1 ZINC000234346919 384065727 /nfs/dbraw/zinc/06/57/27/384065727.db2.gz VQTMSQBHBSISBB-UHFFFAOYSA-N 1 0 236.271 0.890 10 0 BCAERO Cc1cnn(CCNC(=O)[C@H]2CCCC[NH2+]2)c1 ZINC000235940746 384073265 /nfs/dbraw/zinc/07/32/65/384073265.db2.gz YOHMRGNGWJSEBP-LLVKDONJSA-N 1 0 236.319 0.450 10 0 BCAERO C[NH+](C)[C@@H]1CCN(C(=O)c2ccc(F)nc2)C1 ZINC000070084214 384078222 /nfs/dbraw/zinc/07/82/22/384078222.db2.gz IHKVXBSFCGHENC-SNVBAGLBSA-N 1 0 237.278 0.997 10 0 BCAERO O=C(NC[C@@H]1CCCS1)[C@H]1C[NH2+]CCOC1 ZINC000643704890 384111518 /nfs/dbraw/zinc/11/15/18/384111518.db2.gz CQHSFQHEDOUAHZ-UWVGGRQHSA-N 1 0 244.360 0.234 10 0 BCAERO CC[C@H](O)C[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000116408119 384134970 /nfs/dbraw/zinc/13/49/70/384134970.db2.gz NHXOZBQCOXOPFP-JQWIXIFHSA-N 1 0 223.320 0.980 10 0 BCAERO CN(C(=O)[C@H]1C[NH2+]CCOC1)C1CCCC1 ZINC000643624176 384119163 /nfs/dbraw/zinc/11/91/63/384119163.db2.gz MPVCFGYJKRVXFE-JTQLQIEISA-N 1 0 226.320 0.623 10 0 BCAERO COC[C@@]1(C(=O)N2C[C@H](C)[C@H](C)C2)CCC[NH2+]1 ZINC000643706171 384126396 /nfs/dbraw/zinc/12/63/96/384126396.db2.gz NVVZBBUCNZIFML-NTZNESFSSA-N 1 0 240.347 0.869 10 0 BCAERO CC[C@@H]1C[C@H](C)CN1C(=O)[C@H]1C[NH2+]CCOC1 ZINC000643706418 384126587 /nfs/dbraw/zinc/12/65/87/384126587.db2.gz WLCKNTRYBWVFIW-SDDRHHMPSA-N 1 0 240.347 0.869 10 0 BCAERO CC[C@@H]1C[C@H](C)CN1C(=O)[C@@H]1C[NH2+]CCOC1 ZINC000643706417 384127043 /nfs/dbraw/zinc/12/70/43/384127043.db2.gz WLCKNTRYBWVFIW-QJPTWQEYSA-N 1 0 240.347 0.869 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)N(C)C[C@H]1CCC[C@@H]1O ZINC000648167121 384158010 /nfs/dbraw/zinc/15/80/10/384158010.db2.gz ZVXPKCBMTVBGLY-UTUOFQBUSA-N 1 0 242.363 0.979 10 0 BCAERO C[NH+](C)C[C@H]1CN(C(=O)c2ccco2)CCO1 ZINC000116788419 384154713 /nfs/dbraw/zinc/15/47/13/384154713.db2.gz UMEFSKAGFRJSGH-JTQLQIEISA-N 1 0 238.287 0.682 10 0 BCAERO Cc1cc(C)nc(N(C)[C@H]2CC[NH2+]C2)n1 ZINC000070897225 384139206 /nfs/dbraw/zinc/13/92/06/384139206.db2.gz NZMPYJQUTQTWRS-JTQLQIEISA-N 1 0 206.293 0.892 10 0 BCAERO COC[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000262649322 384145640 /nfs/dbraw/zinc/14/56/40/384145640.db2.gz WTSQVBOTHIUAQJ-GARJFASQSA-N 1 0 228.336 0.903 10 0 BCAERO COC(=O)[C@@H]1CCC[N@H+](CCO)CC1 ZINC000260233904 384173497 /nfs/dbraw/zinc/17/34/97/384173497.db2.gz GQBXAJFSRZXYDU-SECBINFHSA-N 1 0 201.266 0.254 10 0 BCAERO CC(C)C[C@]1(C[NH3+])CCS(=O)(=O)C1 ZINC000054634891 384184230 /nfs/dbraw/zinc/18/42/30/384184230.db2.gz KCNLEVFHONQHFQ-VIFPVBQESA-N 1 0 205.323 0.796 10 0 BCAERO C[C@@H]1CCC[C@H](NC(=O)[C@H]2C[NH2+]CCOC2)C1 ZINC000643633822 384205936 /nfs/dbraw/zinc/20/59/36/384205936.db2.gz SEPBELHLRKATMJ-WOPDTQHZSA-N 1 0 240.347 0.917 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N[C@@H](C)CCOC ZINC000081712378 384198322 /nfs/dbraw/zinc/19/83/22/384198322.db2.gz AHBIPFWQZSCQIS-IUCAKERBSA-N 1 0 202.298 0.655 10 0 BCAERO COCCCCNC(=O)[C@]1(COC)CCC[NH2+]1 ZINC000643637554 384234634 /nfs/dbraw/zinc/23/46/34/384234634.db2.gz DAPCMIXMIJNTHI-GFCCVEGCSA-N 1 0 244.335 0.298 10 0 BCAERO C[C@@H](O)C1CCN(C(=O)[C@@H](C)[C@H](C)[NH3+])CC1 ZINC000235481578 384251531 /nfs/dbraw/zinc/25/15/31/384251531.db2.gz JTUWWBBHERYOTC-LPEHRKFASA-N 1 0 228.336 0.589 10 0 BCAERO COC(=O)CCN1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000082699263 384256643 /nfs/dbraw/zinc/25/66/43/384256643.db2.gz NVSGMMMIQDNLHB-WDEREUQCSA-N 1 0 226.320 0.718 10 0 BCAERO Cc1c(C[NH2+][C@@H]2CCCCNC2=O)cnn1C ZINC000093649568 384257040 /nfs/dbraw/zinc/25/70/40/384257040.db2.gz JMAKMAOCGJPLET-LLVKDONJSA-N 1 0 236.319 0.487 10 0 BCAERO C[C@@H](C1CC1)N(C)C(=O)[C@H]1C[NH2+]CCOC1 ZINC000643640200 384262796 /nfs/dbraw/zinc/26/27/96/384262796.db2.gz FELGFDPEHDWIIV-ONGXEEELSA-N 1 0 226.320 0.479 10 0 BCAERO COC[C@]1(C(=O)Nc2cn[nH]c2)CCC[NH2+]1 ZINC000643642914 384271470 /nfs/dbraw/zinc/27/14/70/384271470.db2.gz FAVBLPZESXFYII-JTQLQIEISA-N 1 0 224.264 0.117 10 0 BCAERO CCC[C@@H](C(=O)N1CC[C@](C)(O)C1)[NH+](C)C ZINC000179528650 384305285 /nfs/dbraw/zinc/30/52/85/384305285.db2.gz KNHKHLYDDALVLF-JQWIXIFHSA-N 1 0 228.336 0.700 10 0 BCAERO CC[C@H](C)N(C)C(=O)[C@H]1C[NH2+]CCOC1 ZINC000643648103 384313759 /nfs/dbraw/zinc/31/37/59/384313759.db2.gz NGEAQROUBHUUII-UWVGGRQHSA-N 1 0 214.309 0.479 10 0 BCAERO CCC1(O)CCN(C(=O)[C@H]2CCC[NH2+]C2)CC1 ZINC000583388428 384315546 /nfs/dbraw/zinc/31/55/46/384315546.db2.gz FQPRNUDOPKMPCA-NSHDSACASA-N 1 0 240.347 0.750 10 0 BCAERO CC(C)N(CC1CC1)C(=O)[C@@H]1C[NH2+]CCOC1 ZINC000643644689 384278979 /nfs/dbraw/zinc/27/89/79/384278979.db2.gz WEVJOJODKMNHQA-GFCCVEGCSA-N 1 0 240.347 0.869 10 0 BCAERO CCN(CC(C)C)C(=O)[C@H]1C[NH2+]CCOC1 ZINC000643644189 384282049 /nfs/dbraw/zinc/28/20/49/384282049.db2.gz KKKIQURPEFMVLV-NSHDSACASA-N 1 0 228.336 0.727 10 0 BCAERO CC[C@H](O)C[NH+]1CCN(CCCOC)CC1 ZINC000174086464 384300314 /nfs/dbraw/zinc/30/03/14/384300314.db2.gz VJGBSYDJBSWSEL-LBPRGKRZSA-N 1 0 230.352 0.411 10 0 BCAERO O=[S@](C[C@@H]1CCC[NH2+]1)c1ncc(Cl)cn1 ZINC000095070021 384335007 /nfs/dbraw/zinc/33/50/07/384335007.db2.gz OISSLVNAAAKSBB-AYVTZFPOSA-N 1 0 245.735 0.990 10 0 BCAERO O=[S@@](c1ccc(Cl)nn1)[C@@H]1CCC[NH2+]C1 ZINC000095069947 384335108 /nfs/dbraw/zinc/33/51/08/384335108.db2.gz PBNAANKFPVMCQK-MLXNANBUSA-N 1 0 245.735 0.990 10 0 BCAERO O=[S@@](C[C@H]1CC[NH2+]C1)c1ncc(Cl)cn1 ZINC000095070030 384335182 /nfs/dbraw/zinc/33/51/82/384335182.db2.gz RIWRGBZPWAAMRX-NZFNHWASSA-N 1 0 245.735 0.847 10 0 BCAERO O=S(=O)(c1ccc(Cl)nn1)[C@H]1CC[NH2+]C1 ZINC000095069929 384335313 /nfs/dbraw/zinc/33/53/13/384335313.db2.gz SEGNHHRJUARVDJ-LURJTMIESA-N 1 0 247.707 0.266 10 0 BCAERO O=[S@](C[C@@H]1CCC[NH2+]1)c1ccnc(Cl)n1 ZINC000095070107 384335482 /nfs/dbraw/zinc/33/54/82/384335482.db2.gz LDXQNHMEBZIWIE-ZIDLFYJRSA-N 1 0 245.735 0.990 10 0 BCAERO O=[S@@](c1cc(Cl)ncn1)C1CC[NH2+]CC1 ZINC000095070425 384336466 /nfs/dbraw/zinc/33/64/66/384336466.db2.gz MPEJTPBDWLCQJP-HNNXBMFYSA-N 1 0 245.735 0.990 10 0 BCAERO Clc1nccnc1CNC[C@@H]1CC[NH2+]C1 ZINC000095070375 384336507 /nfs/dbraw/zinc/33/65/07/384336507.db2.gz DSRFVALTCSWCRS-MRVPVSSYSA-N 1 0 226.711 0.829 10 0 BCAERO CN(c1nccc(Cl)n1)[C@H]1CC[NH2+]C1 ZINC000095070581 384337402 /nfs/dbraw/zinc/33/74/02/384337402.db2.gz DAZVVOFJUFJMRX-ZETCQYMHSA-N 1 0 212.684 0.928 10 0 BCAERO O=[S@](C[C@H]1CCC[NH2+]1)c1cc(Cl)ncn1 ZINC000095070433 384337556 /nfs/dbraw/zinc/33/75/56/384337556.db2.gz BELSDFYULHKNNY-MLXNANBUSA-N 1 0 245.735 0.990 10 0 BCAERO Cc1ccnc(N(C)C[C@H]2CCC[NH2+]2)n1 ZINC000095070943 384338425 /nfs/dbraw/zinc/33/84/25/384338425.db2.gz KZVNBIUHQZVXOP-SNVBAGLBSA-N 1 0 206.293 0.973 10 0 BCAERO CC[C@@H]1CCCN1C(=O)[C@@H]1C[NH2+]CCOC1 ZINC000643652396 384338608 /nfs/dbraw/zinc/33/86/08/384338608.db2.gz NTSKJHGNYJMVEP-GHMZBOCLSA-N 1 0 226.320 0.623 10 0 BCAERO O=[S@](c1ncc(F)cn1)[C@H]1CC[NH2+]C1 ZINC000095071990 384340767 /nfs/dbraw/zinc/34/07/67/384340767.db2.gz ZBFCACTXJNXKPG-JKYUHCHBSA-N 1 0 215.253 0.085 10 0 BCAERO O=[S@](CC1CC[NH2+]CC1)c1ncc(F)cn1 ZINC000095072015 384340797 /nfs/dbraw/zinc/34/07/97/384340797.db2.gz DURTURCZSMTMPL-INIZCTEOSA-N 1 0 243.307 0.723 10 0 BCAERO CN(CC(=O)c1nccs1)C[C@H]1CC[NH2+]C1 ZINC000095071283 384340837 /nfs/dbraw/zinc/34/08/37/384340837.db2.gz XBIISQQZSAUWOT-VIFPVBQESA-N 1 0 239.344 0.867 10 0 BCAERO O=[S@@](C[C@H]1CCC[NH2+]C1)c1ncc(F)cn1 ZINC000095072008 384341782 /nfs/dbraw/zinc/34/17/82/384341782.db2.gz GZNRMAUCXBALPM-ZKANADHPSA-N 1 0 243.307 0.723 10 0 BCAERO [NH3+][C@@H]1CCCN(CC(=O)c2nccs2)C1 ZINC000095072366 384343423 /nfs/dbraw/zinc/34/34/23/384343423.db2.gz QWOCFXVEPLGAEZ-MRVPVSSYSA-N 1 0 225.317 0.749 10 0 BCAERO [NH3+]C[C@H]1CCCN(CC(=O)c2nccs2)C1 ZINC000095072551 384343539 /nfs/dbraw/zinc/34/35/39/384343539.db2.gz FJUGNVNMPQTDOH-SECBINFHSA-N 1 0 239.344 0.997 10 0 BCAERO O=C(COC[C@H]1CCC[NH2+]C1)c1cnccn1 ZINC000095072890 384344742 /nfs/dbraw/zinc/34/47/42/384344742.db2.gz BTOCAKDWQWGGGH-JTQLQIEISA-N 1 0 235.287 0.676 10 0 BCAERO O=S(=O)(c1ccccn1)[C@H]1CC[NH2+]C1 ZINC000095073038 384344836 /nfs/dbraw/zinc/34/48/36/384344836.db2.gz PYXYMVLMPWWXFD-QMMMGPOBSA-N 1 0 212.274 0.217 10 0 BCAERO O=S(=O)(Cc1cncs1)[C@H]1CCC[NH2+]C1 ZINC000095073135 384344841 /nfs/dbraw/zinc/34/48/41/384344841.db2.gz DARKVPVNXPOKDU-VIFPVBQESA-N 1 0 246.357 0.810 10 0 BCAERO CCN(C)C(=O)C[N@@H+]1C[C@@H](C)C[C@H](O)C1 ZINC000335585685 384344939 /nfs/dbraw/zinc/34/49/39/384344939.db2.gz DWNANEUCIZOZCJ-UWVGGRQHSA-N 1 0 214.309 0.167 10 0 BCAERO O=C(COC[C@@H]1CCCC[NH2+]1)c1cnccn1 ZINC000095072865 384344914 /nfs/dbraw/zinc/34/49/14/384344914.db2.gz MXMZTIOBZQMINE-JTQLQIEISA-N 1 0 235.287 0.818 10 0 BCAERO O=S(=O)(c1ncccn1)[C@H]1CCC[NH2+]C1 ZINC000095073060 384345512 /nfs/dbraw/zinc/34/55/12/384345512.db2.gz SZPRADDGTSZMPZ-QMMMGPOBSA-N 1 0 227.289 0.002 10 0 BCAERO [NH3+]CC1CCN(c2ncccc2O)CC1 ZINC000095072695 384345789 /nfs/dbraw/zinc/34/57/89/384345789.db2.gz BJUMFBLDXXBWDN-UHFFFAOYSA-N 1 0 207.277 0.962 10 0 BCAERO O=C(CNC[C@@H]1CC[NH2+]C1)c1nccs1 ZINC000095072813 384345921 /nfs/dbraw/zinc/34/59/21/384345921.db2.gz UPZXEYOSRJCUFB-MRVPVSSYSA-N 1 0 225.317 0.525 10 0 BCAERO CCN(C)C(=O)C[N@@H+]1C[C@H](C)C[C@@H](O)C1 ZINC000335585684 384345977 /nfs/dbraw/zinc/34/59/77/384345977.db2.gz DWNANEUCIZOZCJ-NXEZZACHSA-N 1 0 214.309 0.167 10 0 BCAERO O=C(CN[C@H]1CCC[NH2+]C1)c1ccc[nH]1 ZINC000095072746 384346556 /nfs/dbraw/zinc/34/65/56/384346556.db2.gz BPTPUAYTMSCJBT-VIFPVBQESA-N 1 0 207.277 0.539 10 0 BCAERO O=S(=O)(CC1CC[NH2+]CC1)c1ccccn1 ZINC000095073259 384347382 /nfs/dbraw/zinc/34/73/82/384347382.db2.gz IZNNKNKIXWYRGF-UHFFFAOYSA-N 1 0 240.328 0.855 10 0 BCAERO O=[S@@](c1cnccn1)C1CC[NH2+]CC1 ZINC000095073413 384347715 /nfs/dbraw/zinc/34/77/15/384347715.db2.gz FDBLVZSPTLNFND-AWEZNQCLSA-N 1 0 211.290 0.336 10 0 BCAERO O=[S@@](Cc1cccnc1)[C@@H]1CC[NH2+]C1 ZINC000095073435 384347754 /nfs/dbraw/zinc/34/77/54/384347754.db2.gz XBNXMHPDKSCNSO-QMTHXVAHSA-N 1 0 210.302 0.692 10 0 BCAERO O=S(=O)(C[C@H]1CCC[NH2+]1)c1ccncc1 ZINC000095073174 384348054 /nfs/dbraw/zinc/34/80/54/384348054.db2.gz SRLAVCGURPIMDF-SECBINFHSA-N 1 0 226.301 0.607 10 0 BCAERO O=[S@](C[C@H]1CCC[NH2+]1)c1ncccn1 ZINC000095073551 384348226 /nfs/dbraw/zinc/34/82/26/384348226.db2.gz SSFCLFOWXIFNSP-CLAHSXSESA-N 1 0 211.290 0.336 10 0 BCAERO O=[S@@](c1ccccn1)[C@@H]1CCC[NH2+]C1 ZINC000095073371 384348622 /nfs/dbraw/zinc/34/86/22/384348622.db2.gz HXADUYVWOXPATK-OTYXRUKQSA-N 1 0 210.302 0.941 10 0 BCAERO O=S(=O)(Cc1ccncc1)C[C@@H]1CC[NH2+]C1 ZINC000095073253 384348896 /nfs/dbraw/zinc/34/88/96/384348896.db2.gz SIFVOQVMLLHNIY-LLVKDONJSA-N 1 0 240.328 0.606 10 0 BCAERO O=S(=O)(C[C@H]1CCC[NH2+]1)c1ncccn1 ZINC000095073180 384348944 /nfs/dbraw/zinc/34/89/44/384348944.db2.gz MNZINBCIWRYRBE-MRVPVSSYSA-N 1 0 227.289 0.002 10 0 BCAERO O=[S@@](C[C@@H]1CC[NH2+]C1)c1ccncc1 ZINC000095073656 384349578 /nfs/dbraw/zinc/34/95/78/384349578.db2.gz SOXGEGWZGHCCHL-YMTOWFKASA-N 1 0 210.302 0.799 10 0 BCAERO O=[S@](Cc1ccccn1)C[C@@H]1CC[NH2+]C1 ZINC000095073688 384349781 /nfs/dbraw/zinc/34/97/81/384349781.db2.gz IONLBQQPNWICFZ-MEBBXXQBSA-N 1 0 224.329 0.940 10 0 BCAERO O=[S@@](CC1CC[NH2+]CC1)c1ncccn1 ZINC000095073716 384350226 /nfs/dbraw/zinc/35/02/26/384350226.db2.gz HXSXUTAQHWANCT-OAHLLOKOSA-N 1 0 225.317 0.584 10 0 BCAERO O=[S@@](Cc1ccncc1)C[C@H]1CC[NH2+]C1 ZINC000095073699 384350644 /nfs/dbraw/zinc/35/06/44/384350644.db2.gz WHAMVBYWPCAHBH-XHDPSFHLSA-N 1 0 224.329 0.940 10 0 BCAERO C[NH2+][C@H](CCO)[C@@H]1COc2ccccc2O1 ZINC000095075741 384350883 /nfs/dbraw/zinc/35/08/83/384350883.db2.gz FCFPCDUIJMKLFZ-SKDRFNHKSA-N 1 0 223.272 0.797 10 0 BCAERO C[C@@H]1C[C@@H](O)C[N@H+](CC2(O)CCCC2)C1 ZINC000335586701 384351338 /nfs/dbraw/zinc/35/13/38/384351338.db2.gz ULXSZWOCRYEOLL-GHMZBOCLSA-N 1 0 213.321 0.994 10 0 BCAERO CC(C)(C)OC(=O)N1CC([C@H]([NH3+])CCO)C1 ZINC000095083013 384360603 /nfs/dbraw/zinc/36/06/03/384360603.db2.gz UFGQXWWGJADWSC-SECBINFHSA-N 1 0 230.308 0.563 10 0 BCAERO c1cnc2[nH]c(O[C@@H]3CC[NH2+]C3)nc2c1 ZINC000095092778 384363605 /nfs/dbraw/zinc/36/36/05/384363605.db2.gz JNCNKYQNZLFDLL-SSDOTTSWSA-N 1 0 204.233 0.699 10 0 BCAERO NC(=O)c1ccc(N[C@H](C[NH3+])C2CCCC2)nn1 ZINC000236286444 384368901 /nfs/dbraw/zinc/36/89/01/384368901.db2.gz KKERPTHNPJGAIT-SNVBAGLBSA-N 1 0 249.318 0.505 10 0 BCAERO CCC[C@@H](C(=O)NC[C@@H](O)C(C)C)[NH+](C)C ZINC000179718405 384331059 /nfs/dbraw/zinc/33/10/59/384331059.db2.gz QXVVLBQQGWFKKT-WDEREUQCSA-N 1 0 230.352 0.850 10 0 BCAERO Cc1ccc([S@@](=O)[C@@H]2CC[NH2+]C2)nn1 ZINC000095069107 384331727 /nfs/dbraw/zinc/33/17/27/384331727.db2.gz MEDJMWRAFSCZSO-XLKFXECMSA-N 1 0 211.290 0.255 10 0 BCAERO Cc1ccc(S(=O)(=O)C[C@@H]2CCC[NH2+]2)nc1 ZINC000095069012 384331912 /nfs/dbraw/zinc/33/19/12/384331912.db2.gz BDQIGYMQUBSGFL-JTQLQIEISA-N 1 0 240.328 0.916 10 0 BCAERO Cc1ccc([S@](=O)C[C@@H]2CC[NH2+]C2)nn1 ZINC000095069130 384332248 /nfs/dbraw/zinc/33/22/48/384332248.db2.gz HJXOZCYTXBZQFH-PSLIRLAXSA-N 1 0 225.317 0.502 10 0 BCAERO Cc1ccc([S@](=O)C[C@@H]2CCC[NH2+]2)nn1 ZINC000095069122 384332756 /nfs/dbraw/zinc/33/27/56/384332756.db2.gz QKIAXLCKXDTWTN-VFZGTOFNSA-N 1 0 225.317 0.645 10 0 BCAERO Cc1ccc([S@@](=O)[C@H]2CC[NH2+]C2)nc1 ZINC000095069044 384332854 /nfs/dbraw/zinc/33/28/54/384332854.db2.gz KEOJTWNYMICBGK-LKFCYVNXSA-N 1 0 210.302 0.860 10 0 BCAERO Cc1ccc(S(=O)(=O)C[C@H]2CCC[NH2+]2)nn1 ZINC000095069078 384332957 /nfs/dbraw/zinc/33/29/57/384332957.db2.gz KOKZXBKONIWNRE-SECBINFHSA-N 1 0 241.316 0.311 10 0 BCAERO Cc1ccc([S@](=O)[C@H]2CC[NH2+]C2)nn1 ZINC000095069110 384333009 /nfs/dbraw/zinc/33/30/09/384333009.db2.gz MEDJMWRAFSCZSO-RTHLEPHNSA-N 1 0 211.290 0.255 10 0 BCAERO O=C1CCC([N@@H+]2CCNC(=O)CC2)CC1 ZINC000157240092 384333095 /nfs/dbraw/zinc/33/30/95/384333095.db2.gz NJEHMHXFFWTUIN-UHFFFAOYSA-N 1 0 210.277 0.320 10 0 BCAERO Cc1cc(C)nc([S@@](=O)C[C@H]2CC[NH2+]C2)n1 ZINC000095068894 384333048 /nfs/dbraw/zinc/33/30/48/384333048.db2.gz WHRDKKZIUHUKCV-MGPLVRAMSA-N 1 0 239.344 0.811 10 0 BCAERO O=[S@@](c1ccnc(Cl)n1)C1CC[NH2+]CC1 ZINC000095070101 384333701 /nfs/dbraw/zinc/33/37/01/384333701.db2.gz GUPPOCSJMYYMCA-HNNXBMFYSA-N 1 0 245.735 0.990 10 0 BCAERO O=[S@@](c1ccc(Cl)nn1)[C@H]1CCC[NH2+]C1 ZINC000095069949 384333809 /nfs/dbraw/zinc/33/38/09/384333809.db2.gz PBNAANKFPVMCQK-ZIDLFYJRSA-N 1 0 245.735 0.990 10 0 BCAERO CC[C@H]([NH3+])C[C@@H](N)C(=O)OC(C)(C)C ZINC000095930136 384410988 /nfs/dbraw/zinc/41/09/88/384410988.db2.gz BRSLWKWNVWIWSD-JGVFFNPUSA-N 1 0 202.298 0.783 10 0 BCAERO CCO[C@@H]1O[C@H]2CC(=O)[C@H]3C[C@@H]1[C@@H]2N3C ZINC000095932118 384411192 /nfs/dbraw/zinc/41/11/92/384411192.db2.gz MVNXXTMFCTZENB-TYNFZLKGSA-N 1 0 211.261 0.410 10 0 BCAERO Cc1c[nH]nc1CN1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000647512641 384412286 /nfs/dbraw/zinc/41/22/86/384412286.db2.gz NYHGOZNMGGKHKD-HBNTYKKESA-N 1 0 220.320 0.887 10 0 BCAERO Cc1nn(C)cc1CN[C@@H]1CCC[NH2+][C@H]1C ZINC000335644201 384415704 /nfs/dbraw/zinc/41/57/04/384415704.db2.gz PIHMBZHSTGQPRA-CMPLNLGQSA-N 1 0 222.336 0.959 10 0 BCAERO CCSCCN1CC[C@H]2OCC[NH2+][C@@H]2C1 ZINC000404181390 384419901 /nfs/dbraw/zinc/41/99/01/384419901.db2.gz DSNMXFFZVJAITC-GHMZBOCLSA-N 1 0 230.377 0.802 10 0 BCAERO CCSCCN1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC000404181395 384421106 /nfs/dbraw/zinc/42/11/06/384421106.db2.gz DSNMXFFZVJAITC-QWRGUYRKSA-N 1 0 230.377 0.802 10 0 BCAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]Cc1ccccn1 ZINC000335605225 384376296 /nfs/dbraw/zinc/37/62/96/384376296.db2.gz BYJLTBISYINHHC-GXSJLCMTSA-N 1 0 219.288 0.838 10 0 BCAERO Cn1ccnc1C[NH2+]C[C@H]1CCC[C@@H]1O ZINC000084230188 384379645 /nfs/dbraw/zinc/37/96/45/384379645.db2.gz SSXPDZFUJQYXQS-ZJUUUORDSA-N 1 0 209.293 0.671 10 0 BCAERO Cn1cc(C[NH2+]C[C@@H]2CCC[C@@H]2O)nn1 ZINC000084225832 384379891 /nfs/dbraw/zinc/37/98/91/384379891.db2.gz GYMOPLFYKUKTST-WPRPVWTQSA-N 1 0 210.281 0.066 10 0 BCAERO COC(=O)c1ccc2c(c1)C[C@H]([NH3+])CO2 ZINC000016083031 384451130 /nfs/dbraw/zinc/45/11/30/384451130.db2.gz ZQSBENLBVARHAX-VIFPVBQESA-N 1 0 207.229 0.735 10 0 BCAERO C[NH+](C)CC(=O)N1CCC[C@@H]1Cn1ccnc1 ZINC000176184713 384453782 /nfs/dbraw/zinc/45/37/82/384453782.db2.gz FYNNXBMAHWBELH-LLVKDONJSA-N 1 0 236.319 0.436 10 0 BCAERO C[C@H]1CN(C(=O)c2n[nH]c3c2CCCC3)C[C@@H]1[NH3+] ZINC000643600327 384430805 /nfs/dbraw/zinc/43/08/05/384430805.db2.gz HTJAMVCOBIDZGI-WPRPVWTQSA-N 1 0 248.330 0.708 10 0 BCAERO C[C@H](O)C[C@@H]1CCCC[N@@H+]1C[C@H]1CNC(=O)O1 ZINC000253092555 384442389 /nfs/dbraw/zinc/44/23/89/384442389.db2.gz LEEAXZLFXDSIET-GARJFASQSA-N 1 0 242.319 0.720 10 0 BCAERO C[C@@]1(C(=O)N2CCc3n[nH]cc3C2)CCCC[NH2+]1 ZINC000335657461 384459451 /nfs/dbraw/zinc/45/94/51/384459451.db2.gz TWXGFRNRCHQIIA-ZDUSSCGKSA-N 1 0 248.330 0.827 10 0 BCAERO CO[C@H](CNC(=O)[C@H]1C[NH2+]CCOC1)C(C)C ZINC000643726159 384475515 /nfs/dbraw/zinc/47/55/15/384475515.db2.gz KFQUNNIUSVZTMV-WDEREUQCSA-N 1 0 244.335 0.010 10 0 BCAERO CO[C@@H](CNC(=O)[C@@H]1C[NH2+]CCOC1)C(C)C ZINC000643726157 384475628 /nfs/dbraw/zinc/47/56/28/384475628.db2.gz KFQUNNIUSVZTMV-MNOVXSKESA-N 1 0 244.335 0.010 10 0 BCAERO C[C@H]1OCC[C@@H]1[NH2+]Cc1cnc(N(C)C)n1C ZINC000149477003 384478298 /nfs/dbraw/zinc/47/82/98/384478298.db2.gz FPVAKKODADSAIF-KOLCDFICSA-N 1 0 238.335 0.753 10 0 BCAERO CC[C@@H](O)CCNC(=O)[C@]1(COC)CCC[NH2+]1 ZINC000643672182 384511226 /nfs/dbraw/zinc/51/12/26/384511226.db2.gz GYNSHUZXXDBZMR-ZYHUDNBSSA-N 1 0 244.335 0.032 10 0 BCAERO C[NH2+][C@@H]1CCCCC[C@H]1S(C)(=O)=O ZINC000054930194 384513056 /nfs/dbraw/zinc/51/30/56/384513056.db2.gz KKZKBPRUPCQFOI-RKDXNWHRSA-N 1 0 205.323 0.952 10 0 BCAERO CCOc1cc(NC[C@H](C)C[NH3+])ncn1 ZINC000085483192 384526759 /nfs/dbraw/zinc/52/67/59/384526759.db2.gz OMCKNISPCVWMNY-MRVPVSSYSA-N 1 0 210.281 0.882 10 0 BCAERO COc1cc(N2CCC[C@@H]2C[NH3+])ncn1 ZINC000085481613 384527414 /nfs/dbraw/zinc/52/74/14/384527414.db2.gz VGVVVIMZOWBRAI-MRVPVSSYSA-N 1 0 208.265 0.413 10 0 BCAERO COC(=O)c1ccc(CN2C[C@H]([NH3+])[C@@H](C)C2)o1 ZINC000234572133 384543885 /nfs/dbraw/zinc/54/38/85/384543885.db2.gz UBVAXQSWUCTXIP-WPRPVWTQSA-N 1 0 238.287 0.845 10 0 BCAERO COC[C@H]([NH3+])C(=O)NC[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403126891 384545813 /nfs/dbraw/zinc/54/58/13/384545813.db2.gz QKEXCBBBWQYRSQ-ZNSHCXBVSA-N 1 0 226.320 0.513 10 0 BCAERO Cc1nc(CN2C[C@@H](O)C[C@@H]2CO)cs1 ZINC000184010144 384548709 /nfs/dbraw/zinc/54/87/09/384548709.db2.gz CYFMUPMCSWQMTR-ZJUUUORDSA-N 1 0 228.317 0.379 10 0 BCAERO CC(C)C[C@H]1COCCN1C(=O)[C@@H]1CC[NH2+]C1 ZINC000236666584 384550955 /nfs/dbraw/zinc/55/09/55/384550955.db2.gz UBGKUQWVMCFDDU-NEPJUHHUSA-N 1 0 240.347 0.869 10 0 BCAERO CCCNC(=O)C[NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000085631594 384551285 /nfs/dbraw/zinc/55/12/85/384551285.db2.gz WMMUQWKKNOCESH-DLOVCJGASA-N 1 0 240.347 0.916 10 0 BCAERO CC(C)CNC(=O)C1([NH3+])CCOCC1 ZINC000148856759 384552091 /nfs/dbraw/zinc/55/20/91/384552091.db2.gz MDYRMBPCZRXOAR-UHFFFAOYSA-N 1 0 200.282 0.267 10 0 BCAERO OCC[C@@H]1CC[N@H+](CCOC[C@H]2CCCO2)C1 ZINC000525638547 384563095 /nfs/dbraw/zinc/56/30/95/384563095.db2.gz QNWXGAOYEZGNTG-QWHCGFSZSA-N 1 0 243.347 0.886 10 0 BCAERO COC(=O)c1ccc(CN2C[C@@H](C)[C@@H]([NH3+])C2)o1 ZINC000234571513 384538617 /nfs/dbraw/zinc/53/86/17/384538617.db2.gz UBVAXQSWUCTXIP-SCZZXKLOSA-N 1 0 238.287 0.845 10 0 BCAERO CNC(=[NH2+])N[C@@H](C)C(=O)NC(C)(C)C ZINC000157027229 384538808 /nfs/dbraw/zinc/53/88/08/384538808.db2.gz QLYCYSLMFQYUIM-LURJTMIESA-N 1 0 200.286 0.033 10 0 BCAERO CS(=O)(=O)c1ccc([C@@H]([NH3+])CCO)cc1 ZINC000044233667 384540317 /nfs/dbraw/zinc/54/03/17/384540317.db2.gz MFRMLJPOVFGFHD-JTQLQIEISA-N 1 0 229.301 0.472 10 0 BCAERO CCC[C@H]([NH3+])C(=O)NC[C@@H](O)C(C)C ZINC000163246380 384570426 /nfs/dbraw/zinc/57/04/26/384570426.db2.gz WCYMSJCJCKWECD-DTWKUNHWSA-N 1 0 202.298 0.247 10 0 BCAERO O=C(NC[C@@H]1CC[NH2+]C1)Nc1cccnc1 ZINC000258385870 384572674 /nfs/dbraw/zinc/57/26/74/384572674.db2.gz HNCRQHRFCQEDDP-SECBINFHSA-N 1 0 220.276 0.813 10 0 BCAERO CC(C)(C)C(=O)NCC(=O)N1CCC[C@@H]1C[NH3+] ZINC000236776393 384574056 /nfs/dbraw/zinc/57/40/56/384574056.db2.gz MLLVYBVRSHJWBW-SECBINFHSA-N 1 0 241.335 0.098 10 0 BCAERO CCCC(=O)N[C@H]1CCCN(C(=O)CC[NH3+])C1 ZINC000236726325 384566315 /nfs/dbraw/zinc/56/63/15/384566315.db2.gz VOUIMQACJHAKAV-JTQLQIEISA-N 1 0 241.335 0.243 10 0 BCAERO C[C@H](CO)N(C)C(=O)N[C@@H]1CC[C@@H]([NH+](C)C)C1 ZINC000338668800 384605279 /nfs/dbraw/zinc/60/52/79/384605279.db2.gz OLIRAVOCKUGEAX-GMTAPVOTSA-N 1 0 243.351 0.491 10 0 BCAERO CO[C@@H]1C[C@@H](CO)[N@H+](C[C@@H](O)C(C)(C)C)C1 ZINC000309785335 384608939 /nfs/dbraw/zinc/60/89/39/384608939.db2.gz SKDNCGHJTFWXTI-HBNTYKKESA-N 1 0 231.336 0.475 10 0 BCAERO COC[C@@H](C)C(=O)NCC(C)(C)C[NH+](C)C ZINC000103519477 384629528 /nfs/dbraw/zinc/62/95/28/384629528.db2.gz CUQHSKQXFCFIOI-SNVBAGLBSA-N 1 0 230.352 0.973 10 0 BCAERO COC[C@@H](C)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000103435056 384631106 /nfs/dbraw/zinc/63/11/06/384631106.db2.gz FTKDYHDPCAEJGV-VXGBXAGGSA-N 1 0 240.347 0.966 10 0 BCAERO CCC[C@H]([NH3+])C(=O)NCC(C)(C)C(=O)OC ZINC000236844817 384596018 /nfs/dbraw/zinc/59/60/18/384596018.db2.gz RLGSBDPMBMFBFC-QMMMGPOBSA-N 1 0 230.308 0.429 10 0 BCAERO C[C@H]([NH3+])CC(=O)N1CCS[C@@H](C)C1 ZINC000158096700 384598475 /nfs/dbraw/zinc/59/84/75/384598475.db2.gz TWFSPWXCKPIEDN-YUMQZZPRSA-N 1 0 202.323 0.688 10 0 BCAERO [NH3+][C@@H]1CCCN(CC(=O)c2ccc[nH]2)C1 ZINC000050149855 384598549 /nfs/dbraw/zinc/59/85/49/384598549.db2.gz XSEFIMHPJBCGLW-SECBINFHSA-N 1 0 207.277 0.621 10 0 BCAERO CN(CCC[NH3+])c1ncnc2[nH]ccc21 ZINC000561260355 384599499 /nfs/dbraw/zinc/59/94/99/384599499.db2.gz VJZKGKUIFBUDDW-UHFFFAOYSA-N 1 0 205.265 0.743 10 0 BCAERO OC[C@H](c1nccs1)N1CC[NH2+]CC1 ZINC000145277215 384667422 /nfs/dbraw/zinc/66/74/22/384667422.db2.gz MJTKUMNYFJPFAX-MRVPVSSYSA-N 1 0 213.306 0.082 10 0 BCAERO CC(C)[N@H+](C[C@H](O)CN1CCCC1=O)C1CC1 ZINC000171883266 384669461 /nfs/dbraw/zinc/66/94/61/384669461.db2.gz CVEWHNLPIQIWDT-GFCCVEGCSA-N 1 0 240.347 0.843 10 0 BCAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]CCn1ccnc1 ZINC000309817390 384636361 /nfs/dbraw/zinc/63/63/61/384636361.db2.gz VNRRZQMKWIWNPD-VHSXEESVSA-N 1 0 222.292 0.140 10 0 BCAERO Cc1nc(C[N@@H+]2CC[C@]3(CC(=O)NC3=O)C2)co1 ZINC000082115092 384648349 /nfs/dbraw/zinc/64/83/49/384648349.db2.gz KAVDYGHAXUGPGZ-LBPRGKRZSA-N 1 0 249.270 0.222 10 0 BCAERO [NH3+][C@@H]1CCn2c1nc1sccc1c2=O ZINC000100654342 384649137 /nfs/dbraw/zinc/64/91/37/384649137.db2.gz IQZVOECAPBMACT-ZCFIWIBFSA-N 1 0 207.258 0.862 10 0 BCAERO C[NH2+][C@H](C)C(=O)N1CCOCC12CCC2 ZINC000566471159 384651815 /nfs/dbraw/zinc/65/18/15/384651815.db2.gz NWJFLDWMJVPHQQ-SECBINFHSA-N 1 0 212.293 0.376 10 0 BCAERO NC(=O)c1cc(NCC2CC[NH2+]CC2)ccn1 ZINC000044509285 384653777 /nfs/dbraw/zinc/65/37/77/384653777.db2.gz RNPUNGNIDZKILQ-UHFFFAOYSA-N 1 0 234.303 0.592 10 0 BCAERO C[C@H]1C[C@H](O)C[N@H+](CCc2cn[nH]c2)C1 ZINC000334797661 384723478 /nfs/dbraw/zinc/72/34/78/384723478.db2.gz JIBKMAGDJNZFTH-ONGXEEELSA-N 1 0 209.293 0.655 10 0 BCAERO CC1(C)O[C@@H]2C[N@@H+]3CCC[C@@H](O)[C@@H]3[C@@H]2O1 ZINC000022061621 384726388 /nfs/dbraw/zinc/72/63/88/384726388.db2.gz HEVZREBCOASZGR-ZYUZMQFOSA-N 1 0 213.277 0.345 10 0 in-vitro BCAERO Cc1c[nH]nc1CN1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC000647541164 384686271 /nfs/dbraw/zinc/68/62/71/384686271.db2.gz DJYGYDWOCZJFNB-NEPJUHHUSA-N 1 0 236.319 0.281 10 0 BCAERO CC(C)(C)OC(=O)N1CCC[C@H]([NH3+])[C@@H](O)C1 ZINC000142828390 384710126 /nfs/dbraw/zinc/71/01/26/384710126.db2.gz YLLLNYLAZHPCNH-IUCAKERBSA-N 1 0 230.308 0.706 10 0 BCAERO Cc1nn(C)c2nccc(NCC[NH3+])c12 ZINC000107197197 384779285 /nfs/dbraw/zinc/77/92/85/384779285.db2.gz XLMNNTCDOKEVEX-UHFFFAOYSA-N 1 0 205.265 0.647 10 0 BCAERO C[C@@H]1C[C@@H](O)C[N@H+](CC(=O)N2CCCC2)C1 ZINC000334825981 384738042 /nfs/dbraw/zinc/73/80/42/384738042.db2.gz IBBDBUIUJRMZLK-GHMZBOCLSA-N 1 0 226.320 0.312 10 0 BCAERO CC1(C(=O)NC[C@@H]2CCCC[C@H]2O)C[NH2+]C1 ZINC000335017960 384772065 /nfs/dbraw/zinc/77/20/65/384772065.db2.gz CYPQMSQYRFPHPB-VHSXEESVSA-N 1 0 226.320 0.263 10 0 BCAERO CC(C)(C)OC(=O)N1CCC[C@@]([NH3+])(CO)C1 ZINC000083327733 384825670 /nfs/dbraw/zinc/82/56/70/384825670.db2.gz YWAHTVBAPQTWIP-NSHDSACASA-N 1 0 230.308 0.707 10 0 BCAERO CC1(CNC(=O)[C@H]2C[NH2+]CCOC2)CCCC1 ZINC000643688628 384825778 /nfs/dbraw/zinc/82/57/78/384825778.db2.gz FBNITJIFIZOVTK-NSHDSACASA-N 1 0 240.347 0.919 10 0 BCAERO C[C@@H]1CCCN1C(=O)[C@H]1C[NH2+]CCOC1 ZINC000643688672 384827128 /nfs/dbraw/zinc/82/71/28/384827128.db2.gz GJQVVDPZHWSSIJ-ZJUUUORDSA-N 1 0 212.293 0.233 10 0 BCAERO C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]([NH3+])C2CCC2)C1 ZINC000335050912 384783950 /nfs/dbraw/zinc/78/39/50/384783950.db2.gz LDNLIPROXPNRAD-MNOVXSKESA-N 1 0 225.336 0.276 10 0 BCAERO O=C(N[C@@H]1CC[C@@H]2C[C@@H]2C1)[C@H]1C[NH2+]CCOC1 ZINC000648206094 384835857 /nfs/dbraw/zinc/83/58/57/384835857.db2.gz SMVLTGQDYZFYHT-WISYIIOYSA-N 1 0 238.331 0.527 10 0 BCAERO [NH3+]CCc1nc(-c2ccc(O)cc2)n[nH]1 ZINC000061844061 384792111 /nfs/dbraw/zinc/79/21/11/384792111.db2.gz UJQUNJRJCWJTEV-UHFFFAOYSA-N 1 0 204.233 0.679 10 0 BCAERO C[C@H]([NH2+]C(CO)CO)c1cccs1 ZINC000083690160 384793025 /nfs/dbraw/zinc/79/30/25/384793025.db2.gz VCYOXZXRFMIITK-ZETCQYMHSA-N 1 0 201.291 0.752 10 0 BCAERO COC[C@@H](C)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000105780402 384809843 /nfs/dbraw/zinc/80/98/43/384809843.db2.gz QYCQCCNTTXPIPE-GHMZBOCLSA-N 1 0 228.336 0.822 10 0 BCAERO CCc1ccc(CNC(=O)[C@H]([NH3+])COC)s1 ZINC000225353828 384840859 /nfs/dbraw/zinc/84/08/59/384840859.db2.gz JLXOKIXJJMFAEV-SNVBAGLBSA-N 1 0 242.344 0.900 10 0 BCAERO [NH3+][C@@H]1CC[C@@H](C(=O)N[C@H]2CCSC2)C1 ZINC000299963222 384841202 /nfs/dbraw/zinc/84/12/02/384841202.db2.gz ZUUPMJKYYNNRSL-HLTSFMKQSA-N 1 0 214.334 0.736 10 0 BCAERO C[C@@H]([NH3+])[C@@H](C)C(=O)N1CCO[C@H](C)C1 ZINC000164951759 384843172 /nfs/dbraw/zinc/84/31/72/384843172.db2.gz KIGHRWMSEVNWSP-IWSPIJDZSA-N 1 0 200.282 0.217 10 0 BCAERO CO[C@H]1CCCN(C(=O)[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000234811218 384867150 /nfs/dbraw/zinc/86/71/50/384867150.db2.gz GBGIEDVGYYTUBI-OUAUKWLOSA-N 1 0 226.320 0.479 10 0 BCAERO C[NH+](C)CC(=O)N1CC[C@@H](Oc2cccnc2)C1 ZINC000119606001 384889374 /nfs/dbraw/zinc/88/93/74/384889374.db2.gz FCVREJTXLXDFNF-GFCCVEGCSA-N 1 0 249.314 0.623 10 0 BCAERO CC(C)C(=O)N[C@@H]1CCCN(C(=O)[C@@H](C)[NH3+])C1 ZINC000156782688 384957659 /nfs/dbraw/zinc/95/76/59/384957659.db2.gz IYDIJUIWOOTVDM-NXEZZACHSA-N 1 0 241.335 0.097 10 0 BCAERO C[NH+](C)C[C@H]1CN(CCn2cccn2)CCO1 ZINC000105924450 384891435 /nfs/dbraw/zinc/89/14/35/384891435.db2.gz CYSDDUVQBZXDAS-LBPRGKRZSA-N 1 0 238.335 0.146 10 0 BCAERO CCOCCN1CCO[C@@H](Cn2cccn2)C1 ZINC000105920865 384891562 /nfs/dbraw/zinc/89/15/62/384891562.db2.gz VMOVSBXMHCMASL-GFCCVEGCSA-N 1 0 239.319 0.620 10 0 BCAERO Cc1cc(N2CC[C@H]3OCC[NH2+][C@H]3C2)ncn1 ZINC000404075103 384893323 /nfs/dbraw/zinc/89/33/23/384893323.db2.gz QITAEWOLPFKQRS-WDEREUQCSA-N 1 0 234.303 0.352 10 0 BCAERO COC[C@@H](O)CC[NH2+]Cc1cnn(C)c1C ZINC000127467053 384900667 /nfs/dbraw/zinc/90/06/67/384900667.db2.gz RNVBTGQJPCSRBL-NSHDSACASA-N 1 0 227.308 0.216 10 0 BCAERO COC[C@H](O)CC[NH2+]Cc1cnn(C)c1C ZINC000127467288 384900787 /nfs/dbraw/zinc/90/07/87/384900787.db2.gz RNVBTGQJPCSRBL-LLVKDONJSA-N 1 0 227.308 0.216 10 0 BCAERO CSCCC(=O)N1CC[C@@H]([NH3+])[C@@H]1C ZINC000335552847 384906394 /nfs/dbraw/zinc/90/63/94/384906394.db2.gz HDGJMLHJYDAULK-JGVFFNPUSA-N 1 0 202.323 0.688 10 0 BCAERO CCOC[C@@H]1CCN(C(=O)[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC000236972522 384921958 /nfs/dbraw/zinc/92/19/58/384921958.db2.gz ABAQLMCJZJAYKG-GRYCIOLGSA-N 1 0 240.347 0.999 10 0 BCAERO CO[C@@H]1C[C@@H](CO)[N@H+](C[C@H](O)C(C)C)C1 ZINC000366599167 384922885 /nfs/dbraw/zinc/92/28/85/384922885.db2.gz VMJDFWVFCDCJSZ-AXFHLTTASA-N 1 0 217.309 0.085 10 0 BCAERO O=C(NC[C@H]1CC[NH2+]C1)NC[C@H]1CCCS1 ZINC000258278758 384930805 /nfs/dbraw/zinc/93/08/05/384930805.db2.gz BQVJLZWOSFGFSV-VHSXEESVSA-N 1 0 243.376 0.791 10 0 BCAERO CC(C)(C)CNC(=O)NC[C@@H]1CC[NH2+]C1 ZINC000258334525 384936385 /nfs/dbraw/zinc/93/63/85/384936385.db2.gz YVFNTJFIYAAFTG-SECBINFHSA-N 1 0 213.325 0.941 10 0 BCAERO CO[C@@H]1C[C@H](CO)[N@H+](Cc2c(C)noc2C)C1 ZINC000310290352 384942714 /nfs/dbraw/zinc/94/27/14/384942714.db2.gz YWFZKHIXUWUSRY-GHMZBOCLSA-N 1 0 240.303 0.873 10 0 BCAERO CCOC1CCN(C(=O)[C@H]2C[C@H](F)C[NH2+]2)CC1 ZINC000188380491 384943570 /nfs/dbraw/zinc/94/35/70/384943570.db2.gz AHDFHNUJCPKHDK-GXSJLCMTSA-N 1 0 244.310 0.714 10 0 BCAERO CC[N@H+](CCO)CCNc1ncc(C)cn1 ZINC000302210168 384971911 /nfs/dbraw/zinc/97/19/11/384971911.db2.gz CMFDNDRLLOEFBI-UHFFFAOYSA-N 1 0 224.308 0.511 10 0 BCAERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1ncnn1C ZINC000177364838 384982598 /nfs/dbraw/zinc/98/25/98/384982598.db2.gz CFCZRTMPTOFUBC-LLVKDONJSA-N 1 0 237.351 0.731 10 0 BCAERO C[C@@]1(CNC(=O)C2([NH3+])CCOCC2)CCCO1 ZINC000128036427 384982795 /nfs/dbraw/zinc/98/27/95/384982795.db2.gz JRNSNWLNGFXXKW-NSHDSACASA-N 1 0 242.319 0.180 10 0 BCAERO Cc1nocc1C[NH2+][C@H]1CCC(=O)N[C@@H]1C ZINC000339388993 384993712 /nfs/dbraw/zinc/99/37/12/384993712.db2.gz CISLXRJHIVCVCC-SCZZXKLOSA-N 1 0 223.276 0.740 10 0 BCAERO COC(=O)C1=C(O)CC[N@H+](CC(C)C)C1 ZINC000058442503 385005671 /nfs/dbraw/zinc/00/56/71/385005671.db2.gz HGFPVTUCIKOBHX-SECBINFHSA-N 1 0 213.277 0.706 10 0 BCAERO CC(C)(C)OCC[N@@H+]1CCC[C@](O)(C(N)=O)C1 ZINC000310422859 385053125 /nfs/dbraw/zinc/05/31/25/385053125.db2.gz ZJLFJDHXSQPMEK-GFCCVEGCSA-N 1 0 244.335 0.114 10 0 BCAERO CN(C[C@@H](O)C[N@@H+]1CC[C@@H](CCO)C1)C1CC1 ZINC000310449584 385071310 /nfs/dbraw/zinc/07/13/10/385071310.db2.gz RYWYIQZVFOHBOY-WCQYABFASA-N 1 0 242.363 0.146 10 0 BCAERO Cn1ccnc1C[NH2+][C@@H]1CCC[C@@H](O)C1 ZINC000051923440 385071317 /nfs/dbraw/zinc/07/13/17/385071317.db2.gz XIOSQIJNWUMDOG-NXEZZACHSA-N 1 0 209.293 0.813 10 0 BCAERO Cc1c(C[NH2+]CC(=O)NC(C)C)cnn1C ZINC000086551942 385027679 /nfs/dbraw/zinc/02/76/79/385027679.db2.gz UYVOJOGBLBJEKF-UHFFFAOYSA-N 1 0 224.308 0.343 10 0 BCAERO Cn1nccc1[C@@H]1[C@H]([NH3+])CC(=O)N1C1CC1 ZINC000164789942 385041077 /nfs/dbraw/zinc/04/10/77/385041077.db2.gz FKINRLXRSNXXEU-KCJUWKMLSA-N 1 0 220.276 0.183 10 0 BCAERO C[C@H]1[C@H]([NH3+])CCN1C(=O)c1cnn2ccccc12 ZINC000310822678 385181665 /nfs/dbraw/zinc/18/16/65/385181665.db2.gz XJYCVYHHRTVGJJ-GXSJLCMTSA-N 1 0 244.298 0.896 10 0 BCAERO C[C@H]([NH3+])c1nnnn1Cc1ccccc1 ZINC000062494579 385185988 /nfs/dbraw/zinc/18/59/88/385185988.db2.gz MSSPXXJOQFOWPN-QMMMGPOBSA-N 1 0 203.249 0.741 10 0 BCAERO Cc1noc(C)c1CC(=O)N1CC[C@H]([NH3+])[C@H]1C ZINC000336322421 385194966 /nfs/dbraw/zinc/19/49/66/385194966.db2.gz WLGQZPZIDWEPAW-KCJUWKMLSA-N 1 0 237.303 0.782 10 0 BCAERO Cc1nocc1C(=O)N1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000402692364 385144966 /nfs/dbraw/zinc/14/49/66/385144966.db2.gz ZANGBPYRCIUDHZ-MUWHJKNJSA-N 1 0 209.249 0.402 10 0 BCAERO Cc1nocc1C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000402692358 385145534 /nfs/dbraw/zinc/14/55/34/385145534.db2.gz ZANGBPYRCIUDHZ-HZGVNTEJSA-N 1 0 209.249 0.402 10 0 BCAERO C[NH+](C)[C@@H]1CCN(C(=O)c2cc[nH]c2)C1 ZINC000109272411 385147847 /nfs/dbraw/zinc/14/78/47/385147847.db2.gz AAPPWHYABBEWEV-SNVBAGLBSA-N 1 0 207.277 0.791 10 0 BCAERO C[C@H](C(=O)NC[C@@H]1C[NH2+]C[C@@H]1O)c1ccccc1 ZINC000647040161 385175466 /nfs/dbraw/zinc/17/54/66/385175466.db2.gz NNQNPPJDXVNDCS-DRZSPHRISA-N 1 0 248.326 0.487 10 0 BCAERO CC[C@H](C)CC(=O)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000647039845 385175639 /nfs/dbraw/zinc/17/56/39/385175639.db2.gz BCXWQHZEQPYXQI-AEJSXWLSSA-N 1 0 214.309 0.119 10 0 BCAERO [NH3+]C[C@@H]1CCCCN1C(=O)c1ccc[nH]1 ZINC000044555565 385214840 /nfs/dbraw/zinc/21/48/40/385214840.db2.gz AQIXZRIIEIPKGX-VIFPVBQESA-N 1 0 207.277 0.968 10 0 BCAERO O=C1NCCC[C@@H]1[NH2+]CC[C@@H]1CCOC1 ZINC000308868879 385225978 /nfs/dbraw/zinc/22/59/78/385225978.db2.gz ICSQMAXMOVKTMP-ZJUUUORDSA-N 1 0 212.293 0.281 10 0 BCAERO C[C@@H]1CN(C(=O)C(F)(F)F)[C@@H](C)C[NH2+]1 ZINC000062570206 385229948 /nfs/dbraw/zinc/22/99/48/385229948.db2.gz FSTQRTNMBSCTAF-RITPCOANSA-N 1 0 210.199 0.758 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N(C)CCNC(=O)C(C)C ZINC000237035804 385257404 /nfs/dbraw/zinc/25/74/04/385257404.db2.gz UXEMJSSSUJLIHI-JTQLQIEISA-N 1 0 243.351 0.344 10 0 BCAERO C[C@H](C[NH2+]C[C@@H]1C[C@H]1C)N1CCOCC1 ZINC000308895439 385247238 /nfs/dbraw/zinc/24/72/38/385247238.db2.gz ZGHJSTZPTRFWQE-UTUOFQBUSA-N 1 0 212.337 0.953 10 0 BCAERO C[C@@H](C[NH2+]C[C@@H]1C[C@H]1C)N1CCOCC1 ZINC000308895442 385247935 /nfs/dbraw/zinc/24/79/35/385247935.db2.gz ZGHJSTZPTRFWQE-WOPDTQHZSA-N 1 0 212.337 0.953 10 0 BCAERO Cc1c(C[NH2+][C@@]2(C)CCOC2)cnn1C ZINC000120231088 385273367 /nfs/dbraw/zinc/27/33/67/385273367.db2.gz QKOHXEYRJXJENG-NSHDSACASA-N 1 0 209.293 0.997 10 0 BCAERO CO[C@H](C)C[N@@H+]1C[C@H](OC)C[C@H]1CO ZINC000344682494 385290270 /nfs/dbraw/zinc/29/02/70/385290270.db2.gz SNXSBJJILIOVER-KXUCPTDWSA-N 1 0 203.282 0.103 10 0 BCAERO COc1c(C[NH2+]CCC[C@@H](C)O)c(C)nn1C ZINC000227960960 385295883 /nfs/dbraw/zinc/29/58/83/385295883.db2.gz AUBZPLXFOWIADC-SECBINFHSA-N 1 0 241.335 0.988 10 0 BCAERO Nc1c[nH+]cc(I)c1N ZINC000167074054 385296753 /nfs/dbraw/zinc/29/67/53/385296753.db2.gz HTPAEXBGLNKQSN-UHFFFAOYSA-N 1 0 235.028 0.851 10 0 BCAERO COC[C@]1(C(=O)N[C@@H]2C[C@H]3C[C@H]3C2)CCC[NH2+]1 ZINC000643808620 385301200 /nfs/dbraw/zinc/30/12/00/385301200.db2.gz LWERLEXJUMKZDX-NOHGZBONSA-N 1 0 238.331 0.670 10 0 BCAERO Cc1cnn([C@H]2CCC[N@@H+]([C@@H]3CCNC3=O)C2)c1 ZINC000178200480 385343591 /nfs/dbraw/zinc/34/35/91/385343591.db2.gz IFBRQONHVLKXAL-NWDGAFQWSA-N 1 0 248.330 0.717 10 0 BCAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1S(C)(=O)=O ZINC000247487903 385346886 /nfs/dbraw/zinc/34/68/86/385346886.db2.gz TZERBJOBDTWTPV-IUCAKERBSA-N 1 0 218.322 0.115 10 0 BCAERO CCN(CC[NH3+])c1nc(OC)cc(OC)n1 ZINC000168487372 385372591 /nfs/dbraw/zinc/37/25/91/385372591.db2.gz QRTYEWGPLQPMCH-UHFFFAOYSA-N 1 0 226.280 0.279 10 0 BCAERO COc1c(C[NH2+]CCCCO)c(C)nn1C ZINC000193277406 385390506 /nfs/dbraw/zinc/39/05/06/385390506.db2.gz DMQKNCJMLZQCAC-UHFFFAOYSA-N 1 0 227.308 0.599 10 0 BCAERO C[C@H]1[C@H]([NH3+])CCN1C(=O)c1ccccn1 ZINC000309063147 385390665 /nfs/dbraw/zinc/39/06/65/385390665.db2.gz XIHMYQPBRSJYTE-DTWKUNHWSA-N 1 0 205.261 0.643 10 0 BCAERO C[C@H](NC(=O)[C@@H]1[NH2+]CC1(C)C)[C@@H]1CCCO1 ZINC000644020912 385384110 /nfs/dbraw/zinc/38/41/10/385384110.db2.gz BAISZFXHWHEGNQ-GUBZILKMSA-N 1 0 226.320 0.668 10 0 BCAERO CCCCN(C)S(=O)(=O)N1CC[C@H]([NH3+])[C@H]1C ZINC000309170883 385448584 /nfs/dbraw/zinc/44/85/84/385448584.db2.gz AAJFHILINORGSF-ZJUUUORDSA-N 1 0 249.380 0.385 10 0 BCAERO COc1ncccc1C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170867597 385450950 /nfs/dbraw/zinc/45/09/50/385450950.db2.gz KCEWRTVQKPGITD-JTQLQIEISA-N 1 0 249.314 0.866 10 0 BCAERO Cc1cc(C(=O)N2CC[C@@H]([NH+](C)C)C2)no1 ZINC000170860772 385451175 /nfs/dbraw/zinc/45/11/75/385451175.db2.gz UZZYYUYHUSDVIA-SECBINFHSA-N 1 0 223.276 0.759 10 0 BCAERO C[C@H]1C[C@@](NC2CC2)(C(N)=O)CC[N@@H+]1C ZINC000156468368 385452317 /nfs/dbraw/zinc/45/23/17/385452317.db2.gz SCLZUSFMPOAEMW-GZMMTYOYSA-N 1 0 211.309 0.077 10 0 BCAERO CN[C@]1(C(=O)OC)CC[N@@H+]2CCC[C@@H]2C1 ZINC000156495391 385455216 /nfs/dbraw/zinc/45/52/16/385455216.db2.gz OOTNFYHXLZXZPX-MWLCHTKSSA-N 1 0 212.293 0.376 10 0 BCAERO Cc1nnc(C[NH2+][C@H](C)[C@H]2CCCO2)[nH]1 ZINC000309152449 385436773 /nfs/dbraw/zinc/43/67/73/385436773.db2.gz WQENXAZMHZCCAM-VXNVDRBHSA-N 1 0 210.281 0.770 10 0 BCAERO CCC[C@@H](C(=O)N1CC[C@@](C)(O)C1)[NH+](C)C ZINC000179528627 385472210 /nfs/dbraw/zinc/47/22/10/385472210.db2.gz KNHKHLYDDALVLF-CMPLNLGQSA-N 1 0 228.336 0.700 10 0 BCAERO CSCC[NH2+][C@H]1CCC(=O)N[C@@H]1C ZINC000308184970 385479009 /nfs/dbraw/zinc/47/90/09/385479009.db2.gz INSNZYFHHUPHEW-SFYZADRCSA-N 1 0 202.323 0.606 10 0 BCAERO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@@H]3CC34CC4)C[C@@H]12 ZINC000644105583 385480433 /nfs/dbraw/zinc/48/04/33/385480433.db2.gz VXSIXNLOYHHDNE-CHWFTXMASA-N 1 0 220.316 0.982 10 0 BCAERO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@H]3CC34CC4)C[C@@H]12 ZINC000644105584 385480666 /nfs/dbraw/zinc/48/06/66/385480666.db2.gz VXSIXNLOYHHDNE-GWOFURMSSA-N 1 0 220.316 0.982 10 0 BCAERO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@H]3CC34CC4)C[C@H]12 ZINC000644105585 385480796 /nfs/dbraw/zinc/48/07/96/385480796.db2.gz VXSIXNLOYHHDNE-LMLFDSFASA-N 1 0 220.316 0.982 10 0 BCAERO Cc1cnc(C(=O)N2CCC[C@H]2C[NH3+])o1 ZINC000257678937 385485121 /nfs/dbraw/zinc/48/51/21/385485121.db2.gz INYAOZYNTBGLFT-QMMMGPOBSA-N 1 0 209.249 0.546 10 0 BCAERO CCCCOC[C@H](O)C[N@H+](C)CCC(=O)NC ZINC000195175083 385461777 /nfs/dbraw/zinc/46/17/77/385461777.db2.gz ULONCYBSRDPGCS-LLVKDONJSA-N 1 0 246.351 0.232 10 0 BCAERO Cc1cc(CN2CCC[C@H]2C[NH3+])nn1C ZINC000647501699 385461957 /nfs/dbraw/zinc/46/19/57/385461957.db2.gz WTYGMLIOXKFSFA-NSHDSACASA-N 1 0 208.309 0.652 10 0 BCAERO COC(=O)CCC[N@@H+]1C[C@@H](OC)C[C@@H]1CO ZINC000309239164 385494484 /nfs/dbraw/zinc/49/44/84/385494484.db2.gz AAVFTUHEXUTBHN-ZJUUUORDSA-N 1 0 231.292 0.021 10 0 BCAERO O=C(c1csnn1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171586501 385497711 /nfs/dbraw/zinc/49/77/11/385497711.db2.gz DNGBGEBJGOBABY-QMMMGPOBSA-N 1 0 238.316 0.458 10 0 BCAERO Cn1ccc(NC(=O)N2CC[N@@H+]3CCC[C@H]3C2)n1 ZINC000171892320 385529247 /nfs/dbraw/zinc/52/92/47/385529247.db2.gz VTJGABNWRGCPSH-JTQLQIEISA-N 1 0 249.318 0.732 10 0 BCAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)CCn1cccn1 ZINC000309329806 385534795 /nfs/dbraw/zinc/53/47/95/385534795.db2.gz SDGKCFRDJLYVLD-ZJUUUORDSA-N 1 0 222.292 0.221 10 0 BCAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)CCn1cccn1 ZINC000309329802 385535165 /nfs/dbraw/zinc/53/51/65/385535165.db2.gz SDGKCFRDJLYVLD-NXEZZACHSA-N 1 0 222.292 0.221 10 0 BCAERO CCOc1nccnc1N1CC[C@@H]([NH3+])[C@@H]1C ZINC000643041336 385544368 /nfs/dbraw/zinc/54/43/68/385544368.db2.gz DXCCLXHVDBOLTJ-DTWKUNHWSA-N 1 0 222.292 0.801 10 0 BCAERO C[C@H](CC(N)=O)[NH2+]C[C@@H]1CC12CCOCC2 ZINC000309387410 385560242 /nfs/dbraw/zinc/56/02/42/385560242.db2.gz FFEVWFOGZJQESD-ZJUUUORDSA-N 1 0 226.320 0.657 10 0 BCAERO C[NH2+][C@H](C)C(=O)N1C[C@@H](C)OC(C)(C)C1 ZINC000054076837 385594413 /nfs/dbraw/zinc/59/44/13/385594413.db2.gz JOYRLMVFYJMWJG-RKDXNWHRSA-N 1 0 214.309 0.620 10 0 BCAERO C[C@@H]([NH3+])CCNC(=O)[C@H]1CCCOC1 ZINC000063170055 385597162 /nfs/dbraw/zinc/59/71/62/385597162.db2.gz MYFFIZMWLYXZOK-BDAKNGLRSA-N 1 0 200.282 0.267 10 0 BCAERO C[C@H]([NH2+]C[C@@H](O)CN(C)C1CC1)[C@@H]1CCCO1 ZINC000336677015 385606967 /nfs/dbraw/zinc/60/69/67/385606967.db2.gz CIVDZQZSSWLOHO-UHTWSYAYSA-N 1 0 242.363 0.599 10 0 BCAERO CCSCC[NH2+][C@H]1CCC(=O)N[C@@H]1C ZINC000336651110 385614318 /nfs/dbraw/zinc/61/43/18/385614318.db2.gz JLPZQOIGCRVYMR-BDAKNGLRSA-N 1 0 216.350 0.996 10 0 BCAERO CCSCC[NH2+][C@H]1CCC(=O)N[C@H]1C ZINC000336651118 385615112 /nfs/dbraw/zinc/61/51/12/385615112.db2.gz JLPZQOIGCRVYMR-IUCAKERBSA-N 1 0 216.350 0.996 10 0 BCAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]Cc1ccn(C)c1 ZINC000309491597 385622120 /nfs/dbraw/zinc/62/21/20/385622120.db2.gz SINGRLQFZUYVTJ-GXSJLCMTSA-N 1 0 221.304 0.782 10 0 BCAERO [NH3+]C[C@H]1CCCCN1C(=O)NCC1CC1 ZINC000082641738 385622393 /nfs/dbraw/zinc/62/23/93/385622393.db2.gz VKNGLJXILSNGAK-SNVBAGLBSA-N 1 0 211.309 0.919 10 0 BCAERO Cn1nccc1NC(=O)C[C@H]1CCC[NH2+]C1 ZINC000054292218 385610091 /nfs/dbraw/zinc/61/00/91/385610091.db2.gz KEGANZVBEFUKAP-SECBINFHSA-N 1 0 222.292 0.748 10 0 BCAERO CC[C@H]([NH2+][C@H](C)CC(N)=O)[C@@H](O)C(F)(F)F ZINC000336734222 385658597 /nfs/dbraw/zinc/65/85/97/385658597.db2.gz KPYNTOZRWRXQGR-GKROBHDKSA-N 1 0 242.241 0.542 10 0 BCAERO [NH3+][C@@H]1C[C@H]1CN1c2ccccc2CC1=O ZINC000211937404 385701735 /nfs/dbraw/zinc/70/17/35/385701735.db2.gz XJFTVWQDVGGYCL-VHSXEESVSA-N 1 0 202.257 0.923 10 0 BCAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)CCc1ccncc1 ZINC000334453370 385702261 /nfs/dbraw/zinc/70/22/61/385702261.db2.gz TUBYRSOVMAYIRX-ZYHUDNBSSA-N 1 0 233.315 0.962 10 0 BCAERO Cc1csc(=O)n1CC[NH2+][C@@H]1CCO[C@@H]1C ZINC000292371953 385703482 /nfs/dbraw/zinc/70/34/82/385703482.db2.gz QZYFZZMVWSMHQH-NXEZZACHSA-N 1 0 242.344 0.985 10 0 BCAERO C[C@@H]1[C@@H](O)CCC[N@@H+]1CCC(C)(C)O ZINC000307563537 385705101 /nfs/dbraw/zinc/70/51/01/385705101.db2.gz PHLKFIUYGPCBMZ-ZJUUUORDSA-N 1 0 201.310 0.993 10 0 BCAERO O=S(=O)(NC1CCC1)[C@H]1CCC[NH2+]C1 ZINC000052212851 385707604 /nfs/dbraw/zinc/70/76/04/385707604.db2.gz WDBNPNDAOTYIQN-VIFPVBQESA-N 1 0 218.322 0.210 10 0 BCAERO C[C@H](N[C@H]1C[N@H+](C)C[C@H]1C)c1ncnn1C ZINC000309584483 385716564 /nfs/dbraw/zinc/71/65/64/385716564.db2.gz RJNAQOHADHAWEA-UTLUCORTSA-N 1 0 223.324 0.416 10 0 BCAERO C[NH2+][C@H](C)C(=O)N1CCCO[C@H](C)C1 ZINC000061920444 385752606 /nfs/dbraw/zinc/75/26/06/385752606.db2.gz VLJCMZKZHHVGHJ-RKDXNWHRSA-N 1 0 200.282 0.232 10 0 BCAERO COC(=O)[C@@]1(C)CCC[N@@H+]1CCCO ZINC000186337755 385756145 /nfs/dbraw/zinc/75/61/45/385756145.db2.gz IKPXMFSCXLSHNN-SNVBAGLBSA-N 1 0 201.266 0.396 10 0 BCAERO [NH3+]C[C@@H](CO)c1ncnc2ccsc21 ZINC000063065309 385767118 /nfs/dbraw/zinc/76/71/18/385767118.db2.gz BHCFNSYDXWHXBN-LURJTMIESA-N 1 0 209.274 0.726 10 0 BCAERO COc1nn(C)cc1N[C@H]1C[N@H+](C)C[C@H]1C ZINC000336711262 385800832 /nfs/dbraw/zinc/80/08/32/385800832.db2.gz SFOIKVLGGJDVBI-BDAKNGLRSA-N 1 0 224.308 0.791 10 0 BCAERO CC[C@](C)(O)C[NH2+][C@H]1CCC(=O)N[C@H]1C ZINC000336737913 385827132 /nfs/dbraw/zinc/82/71/32/385827132.db2.gz QRVKIFJUZCVNIA-QXEWZRGKSA-N 1 0 214.309 0.404 10 0 BCAERO CO[C@H]1C[NH2+][C@@H](c2csc(=O)[nH]2)C1 ZINC000231876125 385840872 /nfs/dbraw/zinc/84/08/72/385840872.db2.gz AMCAHUVRELGVRF-PHDIDXHHSA-N 1 0 200.263 0.898 10 0 BCAERO C[C@H](C(N)=S)[N@@H+]1CCOC[C@H](C)C1 ZINC000306981690 385788807 /nfs/dbraw/zinc/78/88/07/385788807.db2.gz IGHLLSAAMNYUAY-HTQZYQBOSA-N 1 0 202.323 0.629 10 0 BCAERO C[NH+](C)[C@H]1CCN(C(=O)NCC2(C)COC2)C1 ZINC000112753067 385906443 /nfs/dbraw/zinc/90/64/43/385906443.db2.gz GFYRFUGCKLIQFF-JTQLQIEISA-N 1 0 241.335 0.368 10 0 BCAERO Cn1c(Cl)ncc1[C@@H]1COC[C@@H]1[NH3+] ZINC000575529921 385861096 /nfs/dbraw/zinc/86/10/96/385861096.db2.gz GNNPZVIVCMITIK-RITPCOANSA-N 1 0 201.657 0.515 10 0 BCAERO COC(=O)[C@@H](C[NH3+])Cc1ccc(O)c(F)c1 ZINC000232443760 385866278 /nfs/dbraw/zinc/86/62/78/385866278.db2.gz LEHMKXGOQHUOHO-MRVPVSSYSA-N 1 0 227.235 0.822 10 0 BCAERO Cc1cnc([C@H](C)NCC(=O)N2CCC2)o1 ZINC000336726140 385878771 /nfs/dbraw/zinc/87/87/71/385878771.db2.gz BOQYBRUYRSHXQV-VIFPVBQESA-N 1 0 223.276 0.866 10 0 BCAERO Cc1cnn(CC[NH2+][C@H]2CCO[C@H]2C)c1 ZINC000124063016 385984213 /nfs/dbraw/zinc/98/42/13/385984213.db2.gz AJPKDHBRSRAJTK-QWRGUYRKSA-N 1 0 209.293 0.959 10 0 BCAERO CC(=O)CCC(=O)N1C[C@H]([NH+](C)C)[C@@H](C)C1 ZINC000123993238 385960332 /nfs/dbraw/zinc/96/03/32/385960332.db2.gz JVIFXRVQDCCDEO-ONGXEEELSA-N 1 0 226.320 0.764 10 0 BCAERO CC(=O)CCC(=O)N1C[C@H](C)[C@H]([NH+](C)C)C1 ZINC000123993755 385960875 /nfs/dbraw/zinc/96/08/75/385960875.db2.gz JVIFXRVQDCCDEO-GXSJLCMTSA-N 1 0 226.320 0.764 10 0 BCAERO COC[C@H]([NH3+])C(=O)NCc1nc(C)cs1 ZINC000088003422 385966774 /nfs/dbraw/zinc/96/67/74/385966774.db2.gz RBWIAYRQJFMWSQ-ZETCQYMHSA-N 1 0 229.305 0.041 10 0 BCAERO Cn1ccc(C[NH2+][C@H]2CCCC[C@H]2O)n1 ZINC000096630387 385974520 /nfs/dbraw/zinc/97/45/20/385974520.db2.gz LHOJNFLBBJMAKC-WDEREUQCSA-N 1 0 209.293 0.813 10 0 BCAERO COC(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000221563629 386007300 /nfs/dbraw/zinc/00/73/00/386007300.db2.gz UTMBREXSGRQRNN-SECBINFHSA-N 1 0 209.249 0.594 10 0 BCAERO COC[C@@H](CC(C)C)[NH2+][C@@H]1CCCNC1=O ZINC000336753178 386020066 /nfs/dbraw/zinc/02/00/66/386020066.db2.gz DZQCEQCPWYNNOK-GHMZBOCLSA-N 1 0 228.336 0.916 10 0 BCAERO C[C@@H]1[C@H]([NH2+]C[C@H](O)C(C)(C)C)CCS1(=O)=O ZINC000309839520 386033978 /nfs/dbraw/zinc/03/39/78/386033978.db2.gz NYUTXTJLRASJEF-BBBLOLIVSA-N 1 0 249.376 0.559 10 0 BCAERO COC[C@H](CC(C)C)[NH2+][C@@H]1CCCNC1=O ZINC000336753549 386062642 /nfs/dbraw/zinc/06/26/42/386062642.db2.gz DZQCEQCPWYNNOK-WDEREUQCSA-N 1 0 228.336 0.916 10 0 BCAERO C[NH2+][C@@H]1CCN([C@@H]2CS[C@H](C)C2)C1=O ZINC000307176295 386085485 /nfs/dbraw/zinc/08/54/85/386085485.db2.gz XVKLKZWNPDOFNM-HRDYMLBCSA-N 1 0 214.334 0.701 10 0 BCAERO CCn1ccnc1Cn1cc([C@H](C)[NH2+]C)nn1 ZINC000310093929 386097271 /nfs/dbraw/zinc/09/72/71/386097271.db2.gz KPBVFJGETWYEFM-VIFPVBQESA-N 1 0 234.307 0.823 10 0 BCAERO Nc1ccccc1[C@@H]1COCCCN1CC[NH3+] ZINC000616644302 386152731 /nfs/dbraw/zinc/15/27/31/386152731.db2.gz AZRKZCKJQJVOEK-ZDUSSCGKSA-N 1 0 235.331 0.991 10 0 BCAERO CCO[C@@H]1C[C@H]1C(=O)N1CCC[C@H](C[NH2+]C)C1 ZINC000262504968 386160342 /nfs/dbraw/zinc/16/03/42/386160342.db2.gz JTAYBUUXGBUWGY-IJLUTSLNSA-N 1 0 240.347 0.869 10 0 BCAERO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1C(=O)N1CC[C@H]([NH3+])[C@H]1C ZINC000310299492 386170341 /nfs/dbraw/zinc/17/03/41/386170341.db2.gz PVTHSKAZUVMNCR-GUWRXMSHSA-N 1 0 240.347 0.994 10 0 BCAERO CCC[C@H](NC(=O)[C@@H]1CCC[C@@H]1C[NH3+])C(N)=O ZINC000310397935 386178212 /nfs/dbraw/zinc/17/82/12/386178212.db2.gz IFJZVASSKIJOQG-BBBLOLIVSA-N 1 0 241.335 0.132 10 0 BCAERO C[C@H]([NH2+][C@@H]1CCC(=O)N[C@@H]1C)[C@H]1CCOC1 ZINC000336738666 386182170 /nfs/dbraw/zinc/18/21/70/386182170.db2.gz KMFHIFMOCROOEP-ZRUFSTJUSA-N 1 0 226.320 0.668 10 0 BCAERO O=[S@@]([C@@H]1CCOC1)C1CC[NH2+]CC1 ZINC000575576097 386182646 /nfs/dbraw/zinc/18/26/46/386182646.db2.gz KRBRYBIAKQMOFX-NOZJJQNGSA-N 1 0 203.307 0.276 10 0 BCAERO C[C@H]1CN(C(=O)[C@H]2C[C@@H]([NH3+])C2)C[C@H](C)O1 ZINC000647879815 386186387 /nfs/dbraw/zinc/18/63/87/386186387.db2.gz CPQNXZRWVVGVIN-AATLWQCWSA-N 1 0 212.293 0.360 10 0 BCAERO COC(=O)c1ccc(CN2CCC[C@@H]2C[NH3+])nc1 ZINC000131842654 386225381 /nfs/dbraw/zinc/22/53/81/386225381.db2.gz ZJESFXDSTJPRCB-GFCCVEGCSA-N 1 0 249.314 0.791 10 0 BCAERO C[N@H+](C[C@H](O)CN1C[C@H]2CCC[C@H]21)C1CC1 ZINC000336647920 386258433 /nfs/dbraw/zinc/25/84/33/386258433.db2.gz FXBNQJIZTMIAOK-KGYLQXTDSA-N 1 0 224.348 0.926 10 0 BCAERO Cc1cnn(CC[NH2+]C2CCN(C)CC2)c1 ZINC000226319996 386263026 /nfs/dbraw/zinc/26/30/26/386263026.db2.gz ATTROSVHODCYDE-UHFFFAOYSA-N 1 0 222.336 0.875 10 0 BCAERO C[C@@H](O)C1CCN(C(=O)[C@@H]([NH3+])C(C)(C)C)CC1 ZINC000226332809 386268671 /nfs/dbraw/zinc/26/86/71/386268671.db2.gz FIAZKLYZMKCGFU-MWLCHTKSSA-N 1 0 242.363 0.979 10 0 BCAERO CO[C@H]1C[C@H](CO)[N@H+](CCOC2CCC2)C1 ZINC000347175315 386270869 /nfs/dbraw/zinc/27/08/69/386270869.db2.gz CVJAXOYBACTBKH-PWSUYJOCSA-N 1 0 229.320 0.637 10 0 BCAERO CCOC[C@@H]1CCN(C(=O)[C@@H]2CC[C@@H]([NH3+])C2)C1 ZINC000236972185 386331238 /nfs/dbraw/zinc/33/12/38/386331238.db2.gz ABAQLMCJZJAYKG-IJLUTSLNSA-N 1 0 240.347 0.999 10 0 BCAERO c1ccc2c(c1)OC[C@H](CN[C@H]1CC[NH2+]C1)O2 ZINC000094075070 386444299 /nfs/dbraw/zinc/44/42/99/386444299.db2.gz AAGLAWANIZFAHU-QWRGUYRKSA-N 1 0 234.299 0.778 10 0 BCAERO CCOc1cncc(NC[C@@H]2C[NH2+]CCO2)n1 ZINC000134265713 386402677 /nfs/dbraw/zinc/40/26/77/386402677.db2.gz HSDNDCPTDXJNNL-VIFPVBQESA-N 1 0 238.291 0.276 10 0 BCAERO CC(C)Cn1ccnc(NCC[NH+](C)C)c1=O ZINC000061762031 386481948 /nfs/dbraw/zinc/48/19/48/386481948.db2.gz MLDWMDZIKUBYRS-UHFFFAOYSA-N 1 0 238.335 0.873 10 0 BCAERO CC(=O)c1cc(C(=O)N2CC[C@@H]([NH3+])[C@@H]2C)n(C)c1 ZINC000335432849 386489201 /nfs/dbraw/zinc/48/92/01/386489201.db2.gz DBBKDTGZLCYBTO-GZMMTYOYSA-N 1 0 249.314 0.789 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N(C)Cc1ccon1 ZINC000335432121 386489417 /nfs/dbraw/zinc/48/94/17/386489417.db2.gz ASBKJAWYASDLDU-PSASIEDQSA-N 1 0 223.276 0.489 10 0 BCAERO [NH3+]Cc1ccc(CN2CCC(=O)CC2=O)cc1 ZINC000299890130 386498582 /nfs/dbraw/zinc/49/85/82/386498582.db2.gz UQHAOBCXLIPMTL-UHFFFAOYSA-N 1 0 232.283 0.837 10 0 BCAERO CCc1nnc(CN2CC[C@@H]([C@@H](C)[NH3+])C2)n1C ZINC000519651843 386519521 /nfs/dbraw/zinc/51/95/21/386519521.db2.gz GWRNEADEMPYODS-NXEZZACHSA-N 1 0 237.351 0.547 10 0 BCAERO Cn1nccc1[C@H](O)C1CC[NH+](C)CC1 ZINC000521401822 386462197 /nfs/dbraw/zinc/46/21/97/386462197.db2.gz QQJKRYUPCILMPY-LLVKDONJSA-N 1 0 209.293 0.795 10 0 BCAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NCC1CCOCC1 ZINC000094648465 386465798 /nfs/dbraw/zinc/46/57/98/386465798.db2.gz MYEDCIGPMKJLKY-JQWIXIFHSA-N 1 0 240.347 0.917 10 0 BCAERO C[C@@]1(C(=O)N2CCn3ccnc3C2)CC[NH2+]C1 ZINC000062910607 386533204 /nfs/dbraw/zinc/53/32/04/386533204.db2.gz GBMPFCOTDREEMZ-GFCCVEGCSA-N 1 0 234.303 0.225 10 0 BCAERO CN(CCC[NH3+])c1ncncc1Cl ZINC000163559745 386534173 /nfs/dbraw/zinc/53/41/73/386534173.db2.gz ADZRUQCGAMYJBY-UHFFFAOYSA-N 1 0 200.673 0.915 10 0 BCAERO Cc1oncc1C[NH2+][C@@H]1CCC(=O)N[C@@H]1C ZINC000336756218 386555467 /nfs/dbraw/zinc/55/54/67/386555467.db2.gz YJZDUBUZCRMPMT-GMSGAONNSA-N 1 0 223.276 0.740 10 0 BCAERO C[C@@H](O)C1CCN(C(=O)[C@H]2[NH2+]CC2(C)C)CC1 ZINC000648055242 386643174 /nfs/dbraw/zinc/64/31/74/386643174.db2.gz WPJPOXAAQUZHNH-MWLCHTKSSA-N 1 0 240.347 0.604 10 0 BCAERO C[C@H](O)C1CCN(C(=O)[C@H]2[NH2+]CC2(C)C)CC1 ZINC000648055234 386643231 /nfs/dbraw/zinc/64/32/31/386643231.db2.gz WPJPOXAAQUZHNH-GXSJLCMTSA-N 1 0 240.347 0.604 10 0 BCAERO C[C@H]1[NH2+]CC[C@H]1NC(=O)CC(F)(F)F ZINC000307419345 386648189 /nfs/dbraw/zinc/64/81/89/386648189.db2.gz HLBIBJHRKSHSHT-PHDIDXHHSA-N 1 0 210.199 0.805 10 0 BCAERO OC[C@@H]1C[N@H+](C[C@@H]2Cc3ccccc32)C[C@H]1O ZINC000316371056 259692441 /nfs/dbraw/zinc/69/24/41/259692441.db2.gz LNIKJBAAQFXRKG-SGMGOOAPSA-N 1 0 233.311 0.611 10 0 BCAERO Cc1[nH]nc(C(=O)N2CC[C@H]([NH3+])[C@H]2C)c1C ZINC000335472356 386691531 /nfs/dbraw/zinc/69/15/31/386691531.db2.gz YPJMJNOGIMWALL-BDAKNGLRSA-N 1 0 222.292 0.588 10 0 BCAERO c1nc2c([nH]1)C[C@@H]([NH2+][C@H]1CCOC1)CC2 ZINC000336760523 386732883 /nfs/dbraw/zinc/73/28/83/386732883.db2.gz MFIMBEAIKUMTCA-IUCAKERBSA-N 1 0 207.277 0.646 10 0 BCAERO CC(C)CCNC(=O)C1(C[NH3+])CCOCC1 ZINC000044762181 386728278 /nfs/dbraw/zinc/72/82/78/386728278.db2.gz GOBIXBLQXZFHDJ-UHFFFAOYSA-N 1 0 228.336 0.904 10 0 BCAERO C[C@@H](C[NH2+]Cc1cocn1)N1CCOCC1 ZINC000192283031 386751725 /nfs/dbraw/zinc/75/17/25/386751725.db2.gz XDNZCSKQQOQXNG-JTQLQIEISA-N 1 0 225.292 0.485 10 0 BCAERO C[C@]1([C@H]2OC[C@@H](C[NH3+])O2)CCCS1 ZINC000306705618 386741780 /nfs/dbraw/zinc/74/17/80/386741780.db2.gz KYNDHRRZGCKTMC-HRDYMLBCSA-N 1 0 203.307 0.972 10 0 BCAERO CCOC(=O)CC[N@@H+]1CCC[C@H](O)[C@H]1C ZINC000394973839 386771028 /nfs/dbraw/zinc/77/10/28/386771028.db2.gz KJNGOHQMZBGKTM-ZJUUUORDSA-N 1 0 215.293 0.785 10 0 BCAERO [NH3+][C@@H]1CC[C@H]([S@@](=O)[C@H]2CCOC2)C1 ZINC000575450828 386785636 /nfs/dbraw/zinc/78/56/36/386785636.db2.gz KYZCLOMVYUFOND-MRCNFZFLSA-N 1 0 203.307 0.404 10 0 BCAERO [NH3+][C@@H]1CC[C@H]([S@](=O)[C@@H]2CCOC2)C1 ZINC000575450829 386786175 /nfs/dbraw/zinc/78/61/75/386786175.db2.gz KYZCLOMVYUFOND-VXFNFUGZSA-N 1 0 203.307 0.404 10 0 BCAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)N[C@H]1CCO[C@H]1C ZINC000417958867 386822829 /nfs/dbraw/zinc/82/28/29/386822829.db2.gz VMUDEXKHMUIDHB-KATARQTJSA-N 1 0 227.308 0.295 10 0 BCAERO CO[C@@H]1C[C@@H]([NH2+][C@@H]2COC[C@H]2O)C12CCC2 ZINC000308349436 386823841 /nfs/dbraw/zinc/82/38/41/386823841.db2.gz SUUUADGUTABHIO-GWOFURMSSA-N 1 0 227.304 0.293 10 0 BCAERO C[NH2+]CCc1cc(Br)nn1C ZINC000575453475 386815175 /nfs/dbraw/zinc/81/51/75/386815175.db2.gz NNWBGKWIJXANNH-UHFFFAOYSA-N 1 0 218.098 0.945 10 0 BCAERO C[NH+](C)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O ZINC000059773965 386828460 /nfs/dbraw/zinc/82/84/60/386828460.db2.gz VYJCQLFIOYWZQH-BDAKNGLRSA-N 1 0 230.308 0.528 10 0 BCAERO CCOC(=O)COCC[N@@H+]1CCC[C@H](O)[C@H]1C ZINC000395075780 386844463 /nfs/dbraw/zinc/84/44/63/386844463.db2.gz QZJHTYRRGFZIPV-MNOVXSKESA-N 1 0 245.319 0.411 10 0 BCAERO CCOC(=O)COCC[N@@H+]1CCC[C@H](O)[C@@H]1C ZINC000395075783 386845358 /nfs/dbraw/zinc/84/53/58/386845358.db2.gz QZJHTYRRGFZIPV-QWRGUYRKSA-N 1 0 245.319 0.411 10 0 BCAERO C[C@@H]1C[NH2+]CCN1c1ncncc1Cl ZINC000163729203 134521480 /nfs/dbraw/zinc/52/14/80/134521480.db2.gz KIIBFFQXOULEIY-SSDOTTSWSA-N 1 0 212.684 0.928 10 0 BCAERO CO[C@H](C)[C@H](C)[NH2+][C@H]1CCC(=O)N[C@H]1C ZINC000336762583 386929700 /nfs/dbraw/zinc/92/97/00/386929700.db2.gz NYBMCFZVYSXJNI-QEYWKRMJSA-N 1 0 214.309 0.667 10 0 BCAERO COCCOCC[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000398708159 386956386 /nfs/dbraw/zinc/95/63/86/386956386.db2.gz NSNLKTVLQUASMB-YNEHKIRRSA-N 1 0 243.347 0.742 10 0 BCAERO CC(C)[C@H](C)NC(=O)C[N@@H+]1C[C@H](O)CC[C@H]1C ZINC000399479029 386963154 /nfs/dbraw/zinc/96/31/54/386963154.db2.gz PJWAYKDQQCGBMC-GRYCIOLGSA-N 1 0 242.363 0.992 10 0 BCAERO C[C@H](C(=O)N(C)C)[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000398713853 386963895 /nfs/dbraw/zinc/96/38/95/386963895.db2.gz POSUYYBZGDPIBK-WRWGMCAJSA-N 1 0 240.347 0.556 10 0 BCAERO C[NH+](C)CC(=O)N1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000398796542 386992998 /nfs/dbraw/zinc/99/29/98/386992998.db2.gz RPJGOFPTUIVTQT-HBNTYKKESA-N 1 0 226.320 0.167 10 0 BCAERO CCOC(=O)c1cc2n(n1)CCC[NH2+]C2 ZINC000095630210 386996803 /nfs/dbraw/zinc/99/68/03/386996803.db2.gz RPKMBFPJNNQVRB-UHFFFAOYSA-N 1 0 209.249 0.553 10 0 BCAERO [NH3+][C@@H]1CSC[C@H]1C[C@@H]1COCCO1 ZINC000575461394 387030706 /nfs/dbraw/zinc/03/07/06/387030706.db2.gz DHWWIVVXXRYQQC-IWSPIJDZSA-N 1 0 203.307 0.482 10 0 BCAERO O=S1(=O)CCC([C@H]2C=CC[NH2+]2)CC1 ZINC000575462351 387033947 /nfs/dbraw/zinc/03/39/47/387033947.db2.gz GBYYDGROHYPPSN-SECBINFHSA-N 1 0 201.291 0.339 10 0 BCAERO [NH3+][C@@H](c1cncs1)[C@H]1COCCO1 ZINC000575464125 387045191 /nfs/dbraw/zinc/04/51/91/387045191.db2.gz FJLBHRXYGMUASA-HTRCEHHLSA-N 1 0 200.263 0.558 10 0 BCAERO COC(=O)CCNC(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000070502905 387066979 /nfs/dbraw/zinc/06/69/79/387066979.db2.gz LYFMEFFXPXHTLD-IUCAKERBSA-N 1 0 228.292 0.183 10 0 BCAERO O=S(=O)(NC[C@@H]1CC[NH2+]C1)c1ccsc1 ZINC000334967771 387051578 /nfs/dbraw/zinc/05/15/78/387051578.db2.gz JWYDXXKGBUNOAC-MRVPVSSYSA-N 1 0 246.357 0.636 10 0 BCAERO C[C@H](O)CC[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000398886836 387011371 /nfs/dbraw/zinc/01/13/71/387011371.db2.gz YLBSDPZRNOJETK-FIQHERPVSA-N 1 0 213.321 0.850 10 0 BCAERO [NH3+][C@@H]1CCOC[C@H]1S[C@H]1CCOC1 ZINC000575576412 387022774 /nfs/dbraw/zinc/02/27/74/387022774.db2.gz SQRHCRBVXBICOI-DJLDLDEBSA-N 1 0 203.307 0.625 10 0 BCAERO [NH3+][C@H]1CCCN(CC2CSC2)C1=O ZINC000575458138 387024647 /nfs/dbraw/zinc/02/46/47/387024647.db2.gz PUWQREFUNGKCSZ-QMMMGPOBSA-N 1 0 200.307 0.299 10 0 BCAERO O[C@@H](C1C[NH2+]C1)C(F)(F)Br ZINC000575455547 387026769 /nfs/dbraw/zinc/02/67/69/387026769.db2.gz PTNJIXDDSPUHTO-BYPYZUCNSA-N 1 0 216.025 0.554 10 0 BCAERO C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3ncnn3C2)CCN1C ZINC000246376048 387080473 /nfs/dbraw/zinc/08/04/73/387080473.db2.gz JRCBSDAJKHSHOV-WOPDTQHZSA-N 1 0 249.362 0.665 10 0 BCAERO COc1nc([C@@H]2COC[C@H]2[NH3+])cs1 ZINC000575468142 387081141 /nfs/dbraw/zinc/08/11/41/387081141.db2.gz ZBAZRLNCILCXOC-PHDIDXHHSA-N 1 0 200.263 0.593 10 0 BCAERO O[C@@H](c1cscn1)[C@H]1CSCC[NH2+]1 ZINC000575468393 387083495 /nfs/dbraw/zinc/08/34/95/387083495.db2.gz OYMLJFJCDCOWNB-HTRCEHHLSA-N 1 0 216.331 0.882 10 0 BCAERO CC[C@](C)(O)C[N@@H+]1CC[C@H]([C@@H](C)O)C1 ZINC000119429112 387131465 /nfs/dbraw/zinc/13/14/65/387131465.db2.gz AEYZMYAKCIKLNA-VWYCJHECSA-N 1 0 201.310 0.850 10 0 BCAERO COC(=O)c1ccc(N[C@@H]2CCC[NH2+]C2)nn1 ZINC000071397648 387103163 /nfs/dbraw/zinc/10/31/63/387103163.db2.gz IAADVASJTXAKCZ-MRVPVSSYSA-N 1 0 236.275 0.427 10 0 BCAERO [NH3+][C@H]1CC(=O)N(CC2SCCS2)C1 ZINC000575472465 387104137 /nfs/dbraw/zinc/10/41/37/387104137.db2.gz ZBWLPPOQBVXQFJ-LURJTMIESA-N 1 0 218.347 0.352 10 0 BCAERO Cn1nc(Br)cc1CN1CC([NH3+])C1 ZINC000575471755 387109013 /nfs/dbraw/zinc/10/90/13/387109013.db2.gz FTENSFRQDCUJAQ-UHFFFAOYSA-N 1 0 245.124 0.326 10 0 BCAERO [NH3+]C[C@@]1(N2CC[C@@H](F)C2)CCSC1 ZINC000575472089 387109649 /nfs/dbraw/zinc/10/96/49/387109649.db2.gz PMVASRRICJRKED-BDAKNGLRSA-N 1 0 204.314 0.865 10 0 BCAERO CC(C)OCCNC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000186876949 387149455 /nfs/dbraw/zinc/14/94/55/387149455.db2.gz DYSIDLZCXMFVCK-NSHDSACASA-N 1 0 243.351 0.757 10 0 BCAERO CCN1C(=O)CC[C@H](C[NH3+])[C@H]1c1nccn1C ZINC000536948758 387160320 /nfs/dbraw/zinc/16/03/20/387160320.db2.gz XGLBNUGUBPMKPB-KOLCDFICSA-N 1 0 236.319 0.678 10 0 BCAERO CC(C)N1CC(=O)Nc2cc(C[NH3+])cnc21 ZINC000536955132 387168442 /nfs/dbraw/zinc/16/84/42/387168442.db2.gz OPEWMWWEBKDODM-UHFFFAOYSA-N 1 0 220.276 0.707 10 0 BCAERO CC[C@@H](C)n1[nH]c(=O)c2c1C[NH2+]C[C@H]2N ZINC000536955919 387169599 /nfs/dbraw/zinc/16/95/99/387169599.db2.gz VOAMCACZTVDZIA-RNFRBKRXSA-N 1 0 210.281 0.663 10 0 BCAERO [NH3+][C@H]1COCC[C@@H]1N1C(=O)c2ccccc2C1=O ZINC000575588453 387185927 /nfs/dbraw/zinc/18/59/27/387185927.db2.gz PTYQGBYYSSLWMI-QWRGUYRKSA-N 1 0 246.266 0.399 10 0 BCAERO OCCCC[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000062982032 387189290 /nfs/dbraw/zinc/18/92/90/387189290.db2.gz KQEQOYXWUQIPHB-GFCCVEGCSA-N 1 0 228.336 0.165 10 0 BCAERO COC(=O)C1=C[C@@H](O)C[N@H+](Cc2ccccc2)C1 ZINC000096910936 387232126 /nfs/dbraw/zinc/23/21/26/387232126.db2.gz OXDTUIMTHYQYDV-CYBMUJFWSA-N 1 0 247.294 0.963 10 0 BCAERO Cc1occc1C[NH2+][C@@H]1CCCNC1=O ZINC000321482076 387252052 /nfs/dbraw/zinc/25/20/52/387252052.db2.gz FDDYAOVDYQZLBG-SNVBAGLBSA-N 1 0 208.261 0.956 10 0 BCAERO O=S1(=O)CCC[C@H]1C[C@H]1CC[NH2+]C1 ZINC000575496149 387312657 /nfs/dbraw/zinc/31/26/57/387312657.db2.gz KGAKNVRISLQNKK-BDAKNGLRSA-N 1 0 203.307 0.563 10 0 BCAERO Cc1cnn(C)c1C[NH2+][C@H]1CCC(=O)N[C@@H]1C ZINC000286160553 387316583 /nfs/dbraw/zinc/31/65/83/387316583.db2.gz WHEQHGBILIMYPE-ZJUUUORDSA-N 1 0 236.319 0.485 10 0 BCAERO CC(C)(C)[C@@H]([NH3+])[C@@H]1CCCS1(=O)=O ZINC000575493710 387268412 /nfs/dbraw/zinc/26/84/12/387268412.db2.gz TULIMRNZGRLEFU-YUMQZZPRSA-N 1 0 205.323 0.937 10 0 BCAERO C[C@@H]([NH3+])[C@@H](C)C(=O)Nc1csnn1 ZINC000575492767 387269779 /nfs/dbraw/zinc/26/97/79/387269779.db2.gz LBNPWMKHBOZNHN-RFZPGFLSSA-N 1 0 200.267 0.460 10 0 BCAERO CC(C)[C@H]([NH3+])C(=O)Nc1csnn1 ZINC000575492342 387276845 /nfs/dbraw/zinc/27/68/45/387276845.db2.gz CFONQVPTTYHMIK-LURJTMIESA-N 1 0 200.267 0.460 10 0 BCAERO CC(C)[C@@H]([NH3+])C(=O)Nc1csnn1 ZINC000575492343 387277097 /nfs/dbraw/zinc/27/70/97/387277097.db2.gz CFONQVPTTYHMIK-ZCFIWIBFSA-N 1 0 200.267 0.460 10 0 BCAERO Cc1cnn(C)c1C[NH2+][C@@H]1CCO[C@@H]1C ZINC000286245667 387318390 /nfs/dbraw/zinc/31/83/90/387318390.db2.gz ZSVKXJZBEPOEQY-NXEZZACHSA-N 1 0 209.293 0.996 10 0 BCAERO C[NH2+][C@H](C)C(=O)N(C[C@@H](C)OC)C(C)C ZINC000514873646 387302268 /nfs/dbraw/zinc/30/22/68/387302268.db2.gz UNKMYSQYKZOUMT-NXEZZACHSA-N 1 0 216.325 0.866 10 0 BCAERO O=S(=O)(c1cccs1)C1C[NH2+]C1 ZINC000259313287 387302830 /nfs/dbraw/zinc/30/28/30/387302830.db2.gz VLWGCLGONGOLDN-UHFFFAOYSA-N 1 0 203.288 0.494 10 0 BCAERO CCn1nccc1C[NH2+][C@@H]1CCC(=O)N[C@@H]1C ZINC000392963221 387304917 /nfs/dbraw/zinc/30/49/17/387304917.db2.gz PZEIMBLOXBACKQ-MWLCHTKSSA-N 1 0 236.319 0.660 10 0 BCAERO CCCNC(=O)[C@H](C)[NH2+][C@H]1CCC(=O)N[C@@H]1C ZINC000393002377 387307966 /nfs/dbraw/zinc/30/79/66/387307966.db2.gz LUNNNHRKNSKASC-UTLUCORTSA-N 1 0 241.335 0.158 10 0 BCAERO [NH3+][C@]1([C@H](O)c2cnsc2)CCOC1 ZINC000575504199 387356459 /nfs/dbraw/zinc/35/64/59/387356459.db2.gz FJGXUJDUGGRACO-HTQZYQBOSA-N 1 0 200.263 0.294 10 0 BCAERO [NH3+][C@]1([C@H](O)c2cncs2)CCOC1 ZINC000575505667 387372039 /nfs/dbraw/zinc/37/20/39/387372039.db2.gz QNGZPPMGPANEMM-HTQZYQBOSA-N 1 0 200.263 0.294 10 0 BCAERO [NH3+][C@@]1([C@@H](O)c2cncs2)CCOC1 ZINC000575505670 387372343 /nfs/dbraw/zinc/37/23/43/387372343.db2.gz QNGZPPMGPANEMM-YUMQZZPRSA-N 1 0 200.263 0.294 10 0 BCAERO C/C(=C\[C@@H]1CCCS1(=O)=O)[C@@H](C)[NH3+] ZINC000575497138 387326610 /nfs/dbraw/zinc/32/66/10/387326610.db2.gz WAMJXVRDIOXVDR-BXELRRQVSA-N 1 0 203.307 0.857 10 0 BCAERO CCC[C@H]1CN(C(=O)[C@@H](C)[NH2+]C)CCO1 ZINC000515071392 387332025 /nfs/dbraw/zinc/33/20/25/387332025.db2.gz FYTCTPJPJHDXLI-ZJUUUORDSA-N 1 0 214.309 0.622 10 0 BCAERO CCCC[C@@H](C[NH3+])NC(=O)[C@@H](C)COC ZINC000162804832 387349119 /nfs/dbraw/zinc/34/91/19/387349119.db2.gz VSSGHQQCZTYHRF-UWVGGRQHSA-N 1 0 216.325 0.903 10 0 BCAERO [NH3+][C@H]1CN([C@H]2CCCSCC2)C1=O ZINC000575517702 387433727 /nfs/dbraw/zinc/43/37/27/387433727.db2.gz HRAOLGVPBONXBC-YUMQZZPRSA-N 1 0 200.307 0.442 10 0 BCAERO CC(C)OCCC(=O)N1C[C@H]([NH3+])[C@@H](C)C1 ZINC000423945145 387455656 /nfs/dbraw/zinc/45/56/56/387455656.db2.gz HVTACPBFXNRLRD-UWVGGRQHSA-N 1 0 214.309 0.607 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)N[C@H](COC)C(C)C ZINC000083409943 387414236 /nfs/dbraw/zinc/41/42/36/387414236.db2.gz MPSUDVIHWLNERR-NXEZZACHSA-N 1 0 216.325 0.901 10 0 BCAERO COCC1(NC(=O)[C@H]2CCC[NH2+][C@H]2C)CC1 ZINC000643504124 387415480 /nfs/dbraw/zinc/41/54/80/387415480.db2.gz DXBUXZIJMJCESM-UWVGGRQHSA-N 1 0 226.320 0.670 10 0 BCAERO CO[C@H]1C[NH2+][C@@H](C(=O)NC2CCCCC2)C1 ZINC000040629289 387498499 /nfs/dbraw/zinc/49/84/99/387498499.db2.gz CMKZTXPMVOEOKD-GHMZBOCLSA-N 1 0 226.320 0.812 10 0 BCAERO c1cc2nc(N3CC4(C[NH2+]C4)C3)cnc2[nH]1 ZINC000584623749 387502895 /nfs/dbraw/zinc/50/28/95/387502895.db2.gz NBBGXNKWPBZLKP-UHFFFAOYSA-N 1 0 215.260 0.368 10 0 BCAERO Cc1cc(CNC(=O)[C@H]2C[C@H](F)C[NH2+]2)[nH]n1 ZINC000648079756 387509207 /nfs/dbraw/zinc/50/92/07/387509207.db2.gz PHDDCNCBJQTEPH-IONNQARKSA-N 1 0 226.255 0.034 10 0 BCAERO Cn1ncc2c1ncnc2NCC1CC[NH2+]CC1 ZINC000044509219 387512071 /nfs/dbraw/zinc/51/20/71/387512071.db2.gz BBTUFLXTVMCROO-UHFFFAOYSA-N 1 0 246.318 0.775 10 0 BCAERO C[NH+](C)C[C@H]1CN(CCCCCO)CCO1 ZINC000105924364 387524753 /nfs/dbraw/zinc/52/47/53/387524753.db2.gz DODNXVSXCJBYDM-LBPRGKRZSA-N 1 0 230.352 0.411 10 0 BCAERO C[C@@H]1CN(C)C[C@@H](CNC(=O)C(F)(F)F)O1 ZINC000575526632 387535616 /nfs/dbraw/zinc/53/56/16/387535616.db2.gz XEBSOZLCZJXDPI-RNFRBKRXSA-N 1 0 240.225 0.384 10 0 BCAERO CCC[C@H](C(=O)NCC(=O)NC(C)C)[NH+](C)C ZINC000122131583 387487346 /nfs/dbraw/zinc/48/73/46/387487346.db2.gz NKSMSNSWPCVEPW-SNVBAGLBSA-N 1 0 243.351 0.358 10 0 BCAERO CC(C)(C)SCC[N@@H+]1C[C@H](O)C[C@@H]1CO ZINC000374817921 387492157 /nfs/dbraw/zinc/49/21/57/387492157.db2.gz XUXMCQFWLIMPOD-NXEZZACHSA-N 1 0 233.377 0.946 10 0 BCAERO CC[C@@H](COC)[NH2+]C[C@H](C)N1CCOCC1 ZINC000123521694 387584341 /nfs/dbraw/zinc/58/43/41/387584341.db2.gz VULDKRNKUBWCDO-RYUDHWBXSA-N 1 0 230.352 0.722 10 0 BCAERO CC[C@H](COC)[NH2+]C[C@@H](C)N1CCOCC1 ZINC000123521498 387585043 /nfs/dbraw/zinc/58/50/43/387585043.db2.gz VULDKRNKUBWCDO-VXGBXAGGSA-N 1 0 230.352 0.722 10 0 BCAERO Cn1ncc(Cl)c1[C@@H]1COC[C@H]1[NH3+] ZINC000575531363 387546819 /nfs/dbraw/zinc/54/68/19/387546819.db2.gz PKNUXUCMWCDKAT-IYSWYEEDSA-N 1 0 201.657 0.515 10 0 BCAERO CCOC[C@H](O)CN1C[C@H](C)[C@H]([NH+](C)C)C1 ZINC000124746386 387631808 /nfs/dbraw/zinc/63/18/08/387631808.db2.gz PTNJZFGBTUDYBG-QJPTWQEYSA-N 1 0 230.352 0.266 10 0 BCAERO C[NH+](C)C[C@H]1CN(C(=O)C2(C)CC2)CCO1 ZINC000124957276 387638542 /nfs/dbraw/zinc/63/85/42/387638542.db2.gz YHMYTEKKDICCNJ-JTQLQIEISA-N 1 0 226.320 0.576 10 0 BCAERO COC(=O)[C@@H]1CCCCN1C[C@@H]1COCCO1 ZINC000430998958 387668493 /nfs/dbraw/zinc/66/84/93/387668493.db2.gz AFYVTQGAXTYPEJ-MNOVXSKESA-N 1 0 243.303 0.429 10 0 BCAERO O=S1(=O)CCC(C=C2C[NH2+]C2)CC1 ZINC000575574510 387751953 /nfs/dbraw/zinc/75/19/53/387751953.db2.gz XAICEIVMHJXAQS-UHFFFAOYSA-N 1 0 201.291 0.341 10 0 BCAERO C/C=C/[C@H]([NH3+])[C@H]1CCCCS1(=O)=O ZINC000575569288 387728367 /nfs/dbraw/zinc/72/83/67/387728367.db2.gz STLCAZOTXGTUQN-DMJFMDCBSA-N 1 0 203.307 0.857 10 0 BCAERO C[C@H]1C[NH+](CCCN2CCOCC2)C[C@H](C)O1 ZINC000157306703 387783175 /nfs/dbraw/zinc/78/31/75/387783175.db2.gz BGDDOXIHOVKVIW-STQMWFEESA-N 1 0 242.363 0.818 10 0 BCAERO COCC1(NC(=O)[C@H]2CC[C@H]([NH3+])C2)CC1 ZINC000309506206 387812907 /nfs/dbraw/zinc/81/29/07/387812907.db2.gz VYYCAENCLQIQII-IUCAKERBSA-N 1 0 212.293 0.409 10 0 BCAERO C[C@@H]([NH3+])[C@@H]1CN(c2ncccc2F)CCO1 ZINC000169206396 387794230 /nfs/dbraw/zinc/79/42/30/387794230.db2.gz LWDSRKFYTZPKBM-SCZZXKLOSA-N 1 0 225.267 0.773 10 0 BCAERO CC[C@H](COC)[NH2+]C[C@H](O)CN1CCCCC1 ZINC000151335426 387822645 /nfs/dbraw/zinc/82/26/45/387822645.db2.gz ZMYHYVBNEGHQTD-OLZOCXBDSA-N 1 0 244.379 0.848 10 0 BCAERO Cn1cncc1C(=O)N1CCCC[C@H]1C[NH3+] ZINC000236068417 387872687 /nfs/dbraw/zinc/87/26/87/387872687.db2.gz VFNSIUWPZGCKDF-VIFPVBQESA-N 1 0 222.292 0.374 10 0 BCAERO COc1cccnc1N1CCCO[C@H](C[NH3+])C1 ZINC000313355993 387886608 /nfs/dbraw/zinc/88/66/08/387886608.db2.gz OGZXTGUNAAYHMV-SNVBAGLBSA-N 1 0 237.303 0.644 10 0 BCAERO CN1CCO[C@H](CNC(=O)c2ccoc2)C1 ZINC000194626562 387887359 /nfs/dbraw/zinc/88/73/59/387887359.db2.gz QTCNDTIDQQELQQ-SNVBAGLBSA-N 1 0 224.260 0.340 10 0 BCAERO O=C(c1ccn[nH]1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000195331388 387918509 /nfs/dbraw/zinc/91/85/09/387918509.db2.gz MKACQCYJAYMRFZ-SECBINFHSA-N 1 0 220.276 0.330 10 0 BCAERO CCN(C[C@@H]1CCOC1)C(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000645790821 387913962 /nfs/dbraw/zinc/91/39/62/387913962.db2.gz UUDOLXSAJGYWBP-GARJFASQSA-N 1 0 244.310 0.571 10 0 BCAERO Cc1cc(C)c(C(N)=[NH2+])c(N(CCO)C2CC2)n1 ZINC000042479661 177838866 /nfs/dbraw/zinc/83/88/66/177838866.db2.gz UVTSMEUFGQMXNY-UHFFFAOYSA-N 1 0 248.330 0.944 10 0 BCAERO OCCC[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000195513355 387923361 /nfs/dbraw/zinc/92/33/61/387923361.db2.gz QGDLSMGRKJLTOU-UHFFFAOYSA-N 1 0 209.293 0.972 10 0 BCAERO O=C1CC[C@@H]([NH2+]CC[C@@H]2CCCO2)CCN1 ZINC000396635597 387926980 /nfs/dbraw/zinc/92/69/80/387926980.db2.gz FEQYWDPTJWJKGV-MNOVXSKESA-N 1 0 226.320 0.814 10 0 BCAERO Cc1cc(C(=O)N[C@@H]2CCCC[C@@H]2[NH3+])n(C)n1 ZINC000090121836 177803165 /nfs/dbraw/zinc/80/31/65/177803165.db2.gz SKDFDYRAYASFGS-VHSXEESVSA-N 1 0 236.319 0.728 10 0 BCAERO COC[C@H](C)C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000246182125 388016423 /nfs/dbraw/zinc/01/64/23/388016423.db2.gz UXELYTPNHUVDRT-RYUDHWBXSA-N 1 0 240.347 0.966 10 0 BCAERO Cc1n[nH]c(C)c1NC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000082559288 388037173 /nfs/dbraw/zinc/03/71/73/388037173.db2.gz RTSRBFVJYFPJIY-HZGVNTEJSA-N 1 0 222.292 0.821 10 0 BCAERO CC[C@@H]([NH3+])CNc1ccc(C(=O)OC)nn1 ZINC000082579307 388037694 /nfs/dbraw/zinc/03/76/94/388037694.db2.gz ZYZWKKGMUWMZDP-SSDOTTSWSA-N 1 0 224.264 0.412 10 0 BCAERO C[C@H]1[C@H]([NH3+])CCN1S(=O)(=O)CC1CC1 ZINC000261527444 135151655 /nfs/dbraw/zinc/15/16/55/135151655.db2.gz BGWZHEKJWHLSEO-IONNQARKSA-N 1 0 218.322 0.148 10 0 BCAERO COC[C@H](C)[N@@H+]1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000246300663 388029335 /nfs/dbraw/zinc/02/93/35/388029335.db2.gz BVCHINKVKLANAU-RWMBFGLXSA-N 1 0 242.363 0.674 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)N[C@H]2CC[C@H]([NH3+])CC2)O1 ZINC000322845185 388051427 /nfs/dbraw/zinc/05/14/27/388051427.db2.gz MJZSXXOVKIVGAD-GWOFURMSSA-N 1 0 226.320 0.940 10 0 BCAERO Cc1cc(C(=O)NCCC[NH+](C)C)nc(N)n1 ZINC000058084828 177782213 /nfs/dbraw/zinc/78/22/13/177782213.db2.gz LMDPTQNWUWFAFV-UHFFFAOYSA-N 1 0 237.307 0.049 10 0 BCAERO Cn1ccnc1CNC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000085013088 388082731 /nfs/dbraw/zinc/08/27/31/388082731.db2.gz KLEVYSYAAVYGNF-DTWKUNHWSA-N 1 0 222.292 0.164 10 0 BCAERO [NH3+]CCc1nc2c(s1)CS(=O)(=O)CC2 ZINC000042332425 388087566 /nfs/dbraw/zinc/08/75/66/388087566.db2.gz AWTLBXHYCUCQAQ-UHFFFAOYSA-N 1 0 232.330 0.115 10 0 BCAERO C[NH2+]C[C@H]1CCCN(c2ccnc(N(C)C)n2)C1 ZINC000085432081 388087984 /nfs/dbraw/zinc/08/79/84/388087984.db2.gz IGRVWYDJZHYZHS-LLVKDONJSA-N 1 0 249.362 0.978 10 0 BCAERO COc1cc(N2C[C@H]3C[NH2+]C[C@H]3C2)ncn1 ZINC000085481471 388089479 /nfs/dbraw/zinc/08/94/79/388089479.db2.gz CWOOAGYSJFVDQO-DTORHVGOSA-N 1 0 220.276 0.141 10 0 BCAERO COc1cc(N2CCCC[C@H]2C[NH3+])ncn1 ZINC000085481276 388089863 /nfs/dbraw/zinc/08/98/63/388089863.db2.gz GMSSXLMAWIBNBG-VIFPVBQESA-N 1 0 222.292 0.803 10 0 BCAERO CC(C)[C@H](CO)[NH2+]C[C@H](O)COC(C)(C)C ZINC000086124660 388099694 /nfs/dbraw/zinc/09/96/94/388099694.db2.gz MKXBNBRYFZIPMH-QWRGUYRKSA-N 1 0 233.352 0.769 10 0 BCAERO Cc1nnc2c(N3C[C@H](C)[NH2+]C[C@@H]3C)nccn12 ZINC000086471014 388102675 /nfs/dbraw/zinc/10/26/75/388102675.db2.gz QYNLSFAUGOWVHT-IUCAKERBSA-N 1 0 246.318 0.619 10 0 BCAERO C[C@H]1C[C@H](CNC(=O)[C@@H]2CC[NH2+]C2)CCO1 ZINC000646289840 388176942 /nfs/dbraw/zinc/17/69/42/388176942.db2.gz OATUCAWQUJIJMX-HBNTYKKESA-N 1 0 226.320 0.527 10 0 BCAERO C[C@H]1C[C@@H](CNC(=O)[C@@H]2CC[NH2+]C2)CCO1 ZINC000646289839 388176952 /nfs/dbraw/zinc/17/69/52/388176952.db2.gz OATUCAWQUJIJMX-GARJFASQSA-N 1 0 226.320 0.527 10 0 BCAERO Cc1ccc(CCC(=O)N2CC[NH2+]CC2)o1 ZINC000082651937 388125567 /nfs/dbraw/zinc/12/55/67/388125567.db2.gz HXIXYBYUYRVGRW-UHFFFAOYSA-N 1 0 222.288 0.952 10 0 BCAERO COCCOC[C@H](O)C[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000646088631 388139806 /nfs/dbraw/zinc/13/98/06/388139806.db2.gz LJHXMOACUMDYBI-UMSGYPCISA-N 1 0 243.347 0.789 10 0 BCAERO C[NH2+]C[C@H]([NH3+])C[C@@H](CC(=O)[O-])C(F)(F)F ZINC000521400693 256516986 /nfs/dbraw/zinc/51/69/86/256516986.db2.gz CKWAUZMBYAYPFG-NTSWFWBYSA-N 1 0 228.214 0.576 10 0 BCAERO CC[NH2+][C@H](C)CNC(=O)[C@H](C)COC ZINC000261528555 135154568 /nfs/dbraw/zinc/15/45/68/135154568.db2.gz RPLPERWBRMWLKQ-RKDXNWHRSA-N 1 0 202.298 0.383 10 0 BCAERO C[C@@H](C(=O)N(C)C1C[NH2+]C1)C(F)(F)F ZINC000261528748 135154183 /nfs/dbraw/zinc/15/41/83/135154183.db2.gz VULAJVIUNKNAST-YFKPBYRVSA-N 1 0 210.199 0.615 10 0 BCAERO NC(=S)[C@H]1CCC[N@@H+]1[C@H]1CCOC1=O ZINC000251214645 388259809 /nfs/dbraw/zinc/25/98/09/388259809.db2.gz LREDXNHMKASDCD-RQJHMYQMSA-N 1 0 214.290 0.052 10 0 BCAERO O=[S@]1CC[NH2+][C@H]2CCC(F)(F)C[C@H]21 ZINC000575520851 388357234 /nfs/dbraw/zinc/35/72/34/388357234.db2.gz SYHXNGIPGSUXDL-NFNXHLSSSA-N 1 0 209.261 0.895 10 0 BCAERO Cn1ncc(N2CC[NH2+]CC2)c1Cl ZINC000575524914 388359145 /nfs/dbraw/zinc/35/91/45/388359145.db2.gz WKEJRPRAIVXDMX-UHFFFAOYSA-N 1 0 200.673 0.483 10 0 BCAERO Cc1c[nH+]c(NN)nc1S[C@H](C)CO ZINC000162954319 388367159 /nfs/dbraw/zinc/36/71/59/388367159.db2.gz MBYLVLOWTYJETF-ZCFIWIBFSA-N 1 0 214.294 0.544 10 0 BCAERO [NH3+]CCn1cccc(Br)c1=O ZINC000057832149 388368647 /nfs/dbraw/zinc/36/86/47/388368647.db2.gz VGGLKDIMFOVOFU-UHFFFAOYSA-N 1 0 217.066 0.570 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@H]1CCO[C@@H](C)C1 ZINC000235674720 388374527 /nfs/dbraw/zinc/37/45/27/388374527.db2.gz ZBDNDBOEDQSGBH-VPOLOUISSA-N 1 0 226.320 0.526 10 0 BCAERO C[C@H]1C[C@@H](NC(=O)[C@H]2CCCO2)CC[NH2+]1 ZINC000235675907 388374908 /nfs/dbraw/zinc/37/49/08/388374908.db2.gz JSFQPDXXCJQRIK-LPEHRKFASA-N 1 0 212.293 0.422 10 0 BCAERO O=C(C[C@@H]1CCC[NH2+]C1)Nc1nc[nH]n1 ZINC000572899682 388385707 /nfs/dbraw/zinc/38/57/07/388385707.db2.gz HRUWNFKGIHDWJV-ZETCQYMHSA-N 1 0 209.253 0.133 10 0 BCAERO O=C1NC[C@H](C[N@H+]2CCC[C@H](CO)CC2)O1 ZINC000393952213 388446956 /nfs/dbraw/zinc/44/69/56/388446956.db2.gz ZKSADRGJSHTBNX-VHSXEESVSA-N 1 0 228.292 0.189 10 0 BCAERO O=C1NC[C@H](C[N@H+]2CCC[C@@H](CO)CC2)O1 ZINC000393952209 388447050 /nfs/dbraw/zinc/44/70/50/388447050.db2.gz ZKSADRGJSHTBNX-NXEZZACHSA-N 1 0 228.292 0.189 10 0 BCAERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)Nc1ccc(=O)n(C)c1 ZINC000335597164 388451289 /nfs/dbraw/zinc/45/12/89/388451289.db2.gz NEEJIZOKLPBYLV-GXSJLCMTSA-N 1 0 249.314 0.712 10 0 BCAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]Cc1cncc(F)c1 ZINC000336370607 388457703 /nfs/dbraw/zinc/45/77/03/388457703.db2.gz VCKGZLBKMDIXGV-GZMMTYOYSA-N 1 0 237.278 0.977 10 0 BCAERO C[C@H](CO)S[C@@H]1C[NH2+]CC[C@@]1(C)O ZINC000300867896 388459813 /nfs/dbraw/zinc/45/98/13/388459813.db2.gz KEBKJPSKQHCHII-IWSPIJDZSA-N 1 0 205.323 0.213 10 0 BCAERO COC[C@]1(C(=O)NCc2ccccn2)CCC[NH2+]1 ZINC000649268466 388478832 /nfs/dbraw/zinc/47/88/32/388478832.db2.gz JCVXKLSRMJQHEQ-ZDUSSCGKSA-N 1 0 249.314 0.466 10 0 BCAERO CCn1ccnc(N[C@@H](C)C[C@@H](C)[NH3+])c1=O ZINC000165730451 388409842 /nfs/dbraw/zinc/40/98/42/388409842.db2.gz OPXWARJHKCZMMX-BDAKNGLRSA-N 1 0 224.308 0.801 10 0 BCAERO CCN1CCO[C@@H](C[NH2+][C@H]2CCOC2(C)C)C1 ZINC000328374073 388413507 /nfs/dbraw/zinc/41/35/07/388413507.db2.gz JSMZNDKFMGKRBR-RYUDHWBXSA-N 1 0 242.363 0.864 10 0 BCAERO C[NH2+]C[C@@H]1CCN(Cc2nnnn2C(C)C)C1 ZINC000573121501 388421677 /nfs/dbraw/zinc/42/16/77/388421677.db2.gz GEEIBIJYFDDXQP-JTQLQIEISA-N 1 0 238.339 0.295 10 0 BCAERO CO[C@@H](C)CCC(=O)N1CCC[C@@H]1C[NH3+] ZINC000166793938 388431556 /nfs/dbraw/zinc/43/15/56/388431556.db2.gz YLJQBRJMCKRFLU-VHSXEESVSA-N 1 0 214.309 0.751 10 0 BCAERO CC(C)C1([NH2+]CCS(=O)(=O)N(C)C)CC1 ZINC000339512877 388484058 /nfs/dbraw/zinc/48/40/58/388484058.db2.gz LPMYMZDLCKVEDU-UHFFFAOYSA-N 1 0 234.365 0.656 10 0 BCAERO CC(C)C1([NH2+]CCN2CCNC2=O)CC1 ZINC000339513064 388485317 /nfs/dbraw/zinc/48/53/17/388485317.db2.gz QEPDGENPHBZAFT-UHFFFAOYSA-N 1 0 211.309 0.790 10 0 BCAERO C[C@H]([NH2+]CCn1cncn1)[C@]1(C)CCCO1 ZINC000340195641 388488764 /nfs/dbraw/zinc/48/87/64/388488764.db2.gz UWMHCCHEDQVGGJ-QWRGUYRKSA-N 1 0 224.308 0.825 10 0 BCAERO O=C(Nc1ccccn1)[C@@H]1C[NH2+]CCOC1 ZINC000649276318 388496700 /nfs/dbraw/zinc/49/67/00/388496700.db2.gz LVGSDKMHXWSKHP-SECBINFHSA-N 1 0 221.260 0.256 10 0 BCAERO CO[C@H]1C[C@@H](CO)[N@H+](Cc2ccccn2)C1 ZINC000343985468 388503739 /nfs/dbraw/zinc/50/37/39/388503739.db2.gz POYUZWCGHBWYQP-RYUDHWBXSA-N 1 0 222.288 0.663 10 0 BCAERO CO[C@H]1C[C@@H](CO)[N@H+](Cc2cncs2)C1 ZINC000343992246 388504823 /nfs/dbraw/zinc/50/48/23/388504823.db2.gz VYOJUNLGJAMATA-IUCAKERBSA-N 1 0 228.317 0.725 10 0 BCAERO CCSCC[N@@H+]1C[C@@H](OC)C[C@H]1CO ZINC000344151864 388505872 /nfs/dbraw/zinc/50/58/72/388505872.db2.gz VQQUIKNORBGYCP-UWVGGRQHSA-N 1 0 219.350 0.821 10 0 BCAERO CO[C@@H]1C[C@H](CO)[N@H+](Cc2cncn2C)C1 ZINC000344153933 388505907 /nfs/dbraw/zinc/50/59/07/388505907.db2.gz VWPRHCYTDHKEJY-MWLCHTKSSA-N 1 0 225.292 0.002 10 0 BCAERO CO[C@@H]1C[C@H](CO)[N@H+](CCn2ccnc2C)C1 ZINC000344725108 388508427 /nfs/dbraw/zinc/50/84/27/388508427.db2.gz SCJVNPLRFCWUHG-VXGBXAGGSA-N 1 0 239.319 0.273 10 0 BCAERO CO[C@H]1C[C@@H](CO)[N@H+](CCc2ccnn2C)C1 ZINC000344668454 388508690 /nfs/dbraw/zinc/50/86/90/388508690.db2.gz ARBXJBGEOQNLDE-RYUDHWBXSA-N 1 0 239.319 0.044 10 0 BCAERO CO[C@@H]1C[C@H](CO)[N@H+](C[C@H]2CC[C@@H](C)O2)C1 ZINC000344711624 388508717 /nfs/dbraw/zinc/50/87/17/388508717.db2.gz MDSKITCWAFDMNJ-DDHJBXDOSA-N 1 0 229.320 0.636 10 0 BCAERO CC[N@@H+]1CCC[C@@H](NC(=O)NC2CC2)C1 ZINC000136143397 388524713 /nfs/dbraw/zinc/52/47/13/388524713.db2.gz GBORHWDNKBJAFZ-SNVBAGLBSA-N 1 0 211.309 0.932 10 0 BCAERO O=C1NC[C@H](C[N@H+]2CCCC[C@@H]2CCO)O1 ZINC000219616958 388597998 /nfs/dbraw/zinc/59/79/98/388597998.db2.gz LEXVYOZUGCLAQW-NXEZZACHSA-N 1 0 228.292 0.332 10 0 BCAERO C[C@@H]([NH3+])CNc1ccnc2cccnc21 ZINC000379228808 388600062 /nfs/dbraw/zinc/60/00/62/388600062.db2.gz YGGBMTVOCLNOCO-MRVPVSSYSA-N 1 0 202.261 0.811 10 0 BCAERO Cc1ccc(C[NH2+][C@H]2CCOC[C@H]2O)nc1 ZINC000623767080 388604889 /nfs/dbraw/zinc/60/48/89/388604889.db2.gz PMOPWAUIRJXSPX-NWDGAFQWSA-N 1 0 222.288 0.629 10 0 BCAERO C[C@]1(CO)C[N@H+]([C@@H]2CCC[C@H]2O)C[C@@]1(C)CO ZINC000528751383 388566257 /nfs/dbraw/zinc/56/62/57/388566257.db2.gz HZNNDMLUXIOOOD-LPWJVIDDSA-N 1 0 243.347 0.213 10 0 BCAERO C[C@@H]1C[C@@H]([NH3+])CN1c1ncnc2c1cnn2C ZINC000385066643 388573788 /nfs/dbraw/zinc/57/37/88/388573788.db2.gz CBWQKRFKFKUIGB-HTQZYQBOSA-N 1 0 232.291 0.289 10 0 BCAERO CCC[C@@H](O)C[N@H+](C)C[C@H]1CN(C)CCO1 ZINC000649297429 388576030 /nfs/dbraw/zinc/57/60/30/388576030.db2.gz PRKRAEPJNFSGFT-VXGBXAGGSA-N 1 0 230.352 0.410 10 0 BCAERO CC[N@@H+]1CCC[C@@H]1CN(C)[C@H]1CCN(C)C1=O ZINC000245480972 388582903 /nfs/dbraw/zinc/58/29/03/388582903.db2.gz XUUPFJRCWXLHPM-NEPJUHHUSA-N 1 0 239.363 0.633 10 0 BCAERO C[C@@H]([NH3+])CN1CCC[C@H](n2cncn2)C1 ZINC000261574095 135216123 /nfs/dbraw/zinc/21/61/23/135216123.db2.gz JAYCSAHPLPAKKA-ZJUUUORDSA-N 1 0 209.297 0.262 10 0 BCAERO CC[NH+](CC)CC(=O)N[C@H]1CCC[N@H+](CC)C1 ZINC000063803137 388665362 /nfs/dbraw/zinc/66/53/62/388665362.db2.gz MTNUPKYFJAWYFP-LBPRGKRZSA-N 1 0 241.379 0.929 10 0 BCAERO C[C@H](O)C1CCN(C(=O)C(C)(C)[NH3+])CC1 ZINC000225414584 388678070 /nfs/dbraw/zinc/67/80/70/388678070.db2.gz KLWOVWOFESZQCT-QMMMGPOBSA-N 1 0 214.309 0.343 10 0 BCAERO C[C@@H]1COCC[C@@H]1C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000192514173 388679419 /nfs/dbraw/zinc/67/94/19/388679419.db2.gz GUCNQFJFTDVXPN-WOPDTQHZSA-N 1 0 240.347 0.822 10 0 BCAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ncnn1C ZINC000246131892 388619357 /nfs/dbraw/zinc/61/93/57/388619357.db2.gz FNWQJYIUXYTQIJ-MNOVXSKESA-N 1 0 235.335 0.484 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)N[C@@H](COC)C(C)C ZINC000083399454 388637709 /nfs/dbraw/zinc/63/77/09/388637709.db2.gz MPSUDVIHWLNERR-ZJUUUORDSA-N 1 0 216.325 0.901 10 0 BCAERO [NH3+][C@@H]1CC[C@H]2CN(CC(=O)NCC3CC3)C[C@@H]12 ZINC000261551853 388642970 /nfs/dbraw/zinc/64/29/70/388642970.db2.gz MKVINDAILPDHFN-QJPTWQEYSA-N 1 0 237.347 0.182 10 0 BCAERO CC[C@](C)(O)C[N@@H+]1CCN(C[C@@H](C)O)[C@H](C)C1 ZINC000123539516 388655287 /nfs/dbraw/zinc/65/52/87/388655287.db2.gz HXAUXZJGUXKMHU-UPJWGTAASA-N 1 0 244.379 0.534 10 0 BCAERO C[C@H](O)C[C@H]1CCCC[N@@H+]1C[C@@H]1CNC(=O)O1 ZINC000123855578 388658157 /nfs/dbraw/zinc/65/81/57/388658157.db2.gz LEEAXZLFXDSIET-AXFHLTTASA-N 1 0 242.319 0.720 10 0 BCAERO COC[C@H](C)N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000247340982 388662742 /nfs/dbraw/zinc/66/27/42/388662742.db2.gz GBXFRAUTIHVYKS-SRVKXCTJSA-N 1 0 230.352 0.408 10 0 BCAERO C[C@@H](NC(=O)[C@@]1(C)CCC[NH2+]1)c1nc[nH]n1 ZINC000227433708 388751138 /nfs/dbraw/zinc/75/11/38/388751138.db2.gz OJLXSKQUCPEQAM-GMSGAONNSA-N 1 0 223.280 0.124 10 0 BCAERO C[C@H]([NH3+])CCC(=O)N1[C@H](C)COC[C@@H]1C ZINC000248854861 388696783 /nfs/dbraw/zinc/69/67/83/388696783.db2.gz KRTBNRSTRQMYND-LPEHRKFASA-N 1 0 214.309 0.750 10 0 BCAERO CCC[C@H](C(=O)NCCCCCO)[NH+](C)C ZINC000193264924 388698022 /nfs/dbraw/zinc/69/80/22/388698022.db2.gz NJGNHRBHWJXVGQ-LLVKDONJSA-N 1 0 230.352 0.996 10 0 BCAERO Cc1oncc1CN1C[C@H](F)C[C@H]1C[NH3+] ZINC000396423650 388700397 /nfs/dbraw/zinc/70/03/97/388700397.db2.gz KHZJHHNOADECNC-ZJUUUORDSA-N 1 0 213.256 0.854 10 0 BCAERO Cn1nccc1CN1C[C@H](F)C[C@@H]1C[NH3+] ZINC000396445183 388702160 /nfs/dbraw/zinc/70/21/60/388702160.db2.gz OQXFTTJBKWWGMA-PSASIEDQSA-N 1 0 212.272 0.291 10 0 BCAERO CC[C@H](COC)NC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000227807217 388757989 /nfs/dbraw/zinc/75/79/89/388757989.db2.gz FKKSAXCAMUOFJP-IVZWLZJFSA-N 1 0 214.309 0.655 10 0 BCAERO C[NH2+]C[C@H]1C[C@@H](F)CN1Cc1ccnn1C ZINC000396471415 388702791 /nfs/dbraw/zinc/70/27/91/388702791.db2.gz PFMJNYUYQKSHPM-MWLCHTKSSA-N 1 0 226.299 0.552 10 0 BCAERO Cc1ccc(C[NH2+]C[C@@H]2CN(C)CCO2)nc1 ZINC000127025550 388712481 /nfs/dbraw/zinc/71/24/81/388712481.db2.gz XWHUEXJLBCGUSP-CYBMUJFWSA-N 1 0 235.331 0.810 10 0 BCAERO O[C@H](c1cscn1)[C@H]1C[NH2+]CCS1 ZINC000575458427 388799331 /nfs/dbraw/zinc/79/93/31/388799331.db2.gz SLVYZUMEZAPPDQ-HTQZYQBOSA-N 1 0 216.331 0.882 10 0 BCAERO CC[C@@](C)(O)C[N@@H+]1CC[C@@H](C(=O)OC)C1 ZINC000229879980 388800866 /nfs/dbraw/zinc/80/08/66/388800866.db2.gz MREYBDXSHULAKH-MWLCHTKSSA-N 1 0 215.293 0.642 10 0 BCAERO [NH3+]C1(CNC(=O)CC(F)(F)F)CCC1 ZINC000230066230 388811734 /nfs/dbraw/zinc/81/17/34/388811734.db2.gz ZDHFZQAMHYFDEC-UHFFFAOYSA-N 1 0 210.199 0.936 10 0 BCAERO C[C@H](O)C[C@@H]1CCC[N@@H+]1C[C@H]1CNC(=O)O1 ZINC000252703323 388772444 /nfs/dbraw/zinc/77/24/44/388772444.db2.gz UYQUGRVVHAINMM-LPEHRKFASA-N 1 0 228.292 0.330 10 0 BCAERO C[C@H](O)CCNC(=O)[C@H]1C[C@@H](C)CC[NH2+]1 ZINC000229250299 388783563 /nfs/dbraw/zinc/78/35/63/388783563.db2.gz JBTRCNLYKUWBOM-LPEHRKFASA-N 1 0 214.309 0.262 10 0 BCAERO C[C@@]1(O)CCC[N@H+](C[C@@H]2CNC(=O)O2)CC1 ZINC000230380027 388826209 /nfs/dbraw/zinc/82/62/09/388826209.db2.gz IGHMNUGUBMHGGH-GXSJLCMTSA-N 1 0 228.292 0.332 10 0 BCAERO COC(C)(C)CC[N@@H+]1CCO[C@@H](CO)C1 ZINC000230415985 388826301 /nfs/dbraw/zinc/82/63/01/388826301.db2.gz VKWXQQGWMWLBHC-SNVBAGLBSA-N 1 0 217.309 0.495 10 0 BCAERO [NH3+][C@@H](CC1OCCO1)c1cncs1 ZINC000575468466 388840308 /nfs/dbraw/zinc/84/03/08/388840308.db2.gz QFTFFQBKMNJQOL-LURJTMIESA-N 1 0 200.263 0.906 10 0 BCAERO Cn1ncc(N[C@H]2CC[NH2+]C2)c1Br ZINC000575479443 388862235 /nfs/dbraw/zinc/86/22/35/388862235.db2.gz NNNAZENUIVYLPS-LURJTMIESA-N 1 0 245.124 0.956 10 0 BCAERO CN1C[C@H]([NH2+]C[C@@H](O)C(C)(C)C)CCC1=O ZINC000304253965 388863887 /nfs/dbraw/zinc/86/38/87/388863887.db2.gz ROGWJZCEMMVABQ-NXEZZACHSA-N 1 0 228.336 0.604 10 0 BCAERO [NH3+][C@@H]1COC[C@@H]1[C@@H](O)c1ccns1 ZINC000575471084 388847518 /nfs/dbraw/zinc/84/75/18/388847518.db2.gz VTEJJGKXPOOOGP-SHYZEUOFSA-N 1 0 200.263 0.150 10 0 BCAERO OC1(Cc2ccncc2Br)C[NH2+]C1 ZINC000575471074 388848347 /nfs/dbraw/zinc/84/83/47/388848347.db2.gz UNKJVJKAUKFLJK-UHFFFAOYSA-N 1 0 243.104 0.721 10 0 BCAERO O[C@@H](C1=COCC1)[C@H]1CSCC[NH2+]1 ZINC000575471703 388848761 /nfs/dbraw/zinc/84/87/61/388848761.db2.gz PLZVWONQQZUNOO-BDAKNGLRSA-N 1 0 201.291 0.357 10 0 BCAERO COc1cc([C@H]2C[C@H]([NH3+])CO2)sn1 ZINC000575472446 388850366 /nfs/dbraw/zinc/85/03/66/388850366.db2.gz RIYUTDPFFBHBQM-NTSWFWBYSA-N 1 0 200.263 0.940 10 0 BCAERO O[C@@]1(C[NH2+]CC2CCOCC2)CCSC1 ZINC000165654525 135493349 /nfs/dbraw/zinc/49/33/49/135493349.db2.gz BYMSXVQYYWQGGZ-LLVKDONJSA-N 1 0 231.361 0.871 10 0 BCAERO CC(C)C(=O)N1CC[C@H]2OCC[NH2+][C@H]2C1 ZINC000404099909 388945382 /nfs/dbraw/zinc/94/53/82/388945382.db2.gz ZDSZDGMMWQVTPP-VHSXEESVSA-N 1 0 212.293 0.232 10 0 BCAERO c1snnc1CN1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC000404193269 388950928 /nfs/dbraw/zinc/95/09/28/388950928.db2.gz MCUSZDHMLGXDRB-ZJUUUORDSA-N 1 0 240.332 0.101 10 0 BCAERO CCc1nnc(CN2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)n1C ZINC000565540266 388952140 /nfs/dbraw/zinc/95/21/40/388952140.db2.gz OBIXCKZOHKUVRS-GARJFASQSA-N 1 0 249.362 0.547 10 0 BCAERO Cc1ncccc1C(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000566012414 388983855 /nfs/dbraw/zinc/98/38/55/388983855.db2.gz CMGKKIRNGMYDIU-NWDGAFQWSA-N 1 0 247.298 0.203 10 0 BCAERO C[C@H](C[NH2+]C[C@H](O)C(C)(C)C)S(C)(=O)=O ZINC000566113866 388988275 /nfs/dbraw/zinc/98/82/75/388988275.db2.gz ZZQBAPZARSVKRF-BDAKNGLRSA-N 1 0 237.365 0.416 10 0 BCAERO CNC(=O)[C@]1(N)CC[N@H+](Cc2ccccc2)C1 ZINC000575509334 389003702 /nfs/dbraw/zinc/00/37/02/389003702.db2.gz BQCJTESTTOJTTD-ZDUSSCGKSA-N 1 0 233.315 0.336 10 0 BCAERO Cc1c(C[NH2+][C@H]2CC(=O)N(C)C2)cnn1C ZINC000270277823 389010882 /nfs/dbraw/zinc/01/08/82/389010882.db2.gz XHQYFVWAWDTAEF-JTQLQIEISA-N 1 0 222.292 0.049 10 0 BCAERO Cc1nccc(N2C[C@@H](C)[NH2+][C@H](C)C2)n1 ZINC000054935541 132364997 /nfs/dbraw/zinc/36/49/97/132364997.db2.gz RNTCQHJSCRLDTK-RKDXNWHRSA-N 1 0 206.293 0.972 10 0 BCAERO COC(=O)CC[N@@H+]1C[C@H](C)C[C@H](O)C1 ZINC000401897813 533429290 /nfs/dbraw/zinc/42/92/90/533429290.db2.gz LKXSITQVXRCDIZ-BDAKNGLRSA-N 1 0 201.266 0.252 10 0 BCAERO CCOCC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000082409891 322824341 /nfs/dbraw/zinc/82/43/41/322824341.db2.gz TUNAHNNFEDACBI-SECBINFHSA-N 1 0 200.282 0.185 10 0 BCAERO CC(C)CCC[N@@H+]1C[C@@H](O)C[C@@H]1CO ZINC000372640617 166804778 /nfs/dbraw/zinc/80/47/78/166804778.db2.gz PUQITMTXDYOWIJ-MNOVXSKESA-N 1 0 201.310 0.850 10 0 BCAERO [NH3+]C[C@H]1CCCCN1c1ncnc2nc[nH]c21 ZINC000044559462 132225135 /nfs/dbraw/zinc/22/51/35/132225135.db2.gz SMZPMRTYAHQGEB-MRVPVSSYSA-N 1 0 232.291 0.671 10 0 BCAERO [NH3+]C[C@H]1CN(c2cnc3ccccc3n2)CCO1 ZINC000052017350 132228942 /nfs/dbraw/zinc/22/89/42/132228942.db2.gz SECYMIHGGBPFCE-JTQLQIEISA-N 1 0 244.298 0.794 10 0 BCAERO Cc1cc2c(N3CC[NH2+]C[C@H]3C)nccn2n1 ZINC000130204711 132234543 /nfs/dbraw/zinc/23/45/43/132234543.db2.gz YFRKDVUNXGNZIF-SNVBAGLBSA-N 1 0 231.303 0.836 10 0 BCAERO C[NH2+]C[C@@H]1CCCN(c2cc(OC)ncn2)C1 ZINC000090783590 132237110 /nfs/dbraw/zinc/23/71/10/132237110.db2.gz RPSHZORCMOUOJP-JTQLQIEISA-N 1 0 236.319 0.921 10 0 BCAERO COc1cc(OC)nc(N2CCC[C@@H]([NH3+])C2)n1 ZINC000134990971 132239532 /nfs/dbraw/zinc/23/95/32/132239532.db2.gz BCDDDTCBXMTZGO-MRVPVSSYSA-N 1 0 238.291 0.421 10 0 BCAERO O=C1N[C@H]2C[NH2+]CCN2c2ccccc21 ZINC000035993959 132294937 /nfs/dbraw/zinc/29/49/37/132294937.db2.gz ZBZSDZXMFOCFTN-SNVBAGLBSA-N 1 0 203.245 0.166 10 0 BCAERO Cc1ccnc(N2C[C@H](C)[NH2+]C[C@H]2C)n1 ZINC000250862824 132303286 /nfs/dbraw/zinc/30/32/86/132303286.db2.gz DWAZJTUSXXEPTM-VHSXEESVSA-N 1 0 206.293 0.972 10 0 BCAERO O=C1COc2ccccc2N1C[C@H]1C[NH2+]CCO1 ZINC000033826609 132311946 /nfs/dbraw/zinc/31/19/46/132311946.db2.gz FHUZKUJLYYMKMU-SNVBAGLBSA-N 1 0 248.282 0.400 10 0 BCAERO COc1ccc(N)cc1N1CC[NH2+]CC1 ZINC000007275973 132318700 /nfs/dbraw/zinc/31/87/00/132318700.db2.gz PBIXGKIJQUGWAZ-UHFFFAOYSA-N 1 0 207.277 0.687 10 0 BCAERO C[C@H]1Oc2cc(N)ccc2N(CC[NH+](C)C)C1=O ZINC000011568835 132319790 /nfs/dbraw/zinc/31/97/90/132319790.db2.gz SGVLWTXEQXSLOE-SECBINFHSA-N 1 0 249.314 0.944 10 0 BCAERO Cc1cccc(N2CCN(C[C@@H](O)C[NH3+])CC2)c1 ZINC000019263248 132324276 /nfs/dbraw/zinc/32/42/76/132324276.db2.gz NZLFMCNWATUJMA-AWEZNQCLSA-N 1 0 249.358 0.437 10 0 BCAERO CC(C)[C@@H](C[NH3+])N1CCN(c2ncccn2)CC1 ZINC000019268601 132324358 /nfs/dbraw/zinc/32/43/58/132324358.db2.gz ITBWOCJNSNIIHI-GFCCVEGCSA-N 1 0 249.362 0.582 10 0 BCAERO C[NH2+]C[C@@H](O)CN1C(=O)CCc2ccccc21 ZINC000019864244 132327886 /nfs/dbraw/zinc/32/78/86/132327886.db2.gz SJFPYEBODDVZSW-LLVKDONJSA-N 1 0 234.299 0.546 10 0 BCAERO C[C@H]([NH3+])c1ccccc1N1CCNC(=O)C1 ZINC000019872640 132328498 /nfs/dbraw/zinc/32/84/98/132328498.db2.gz GHTSKLJADOKQHO-VIFPVBQESA-N 1 0 219.288 0.643 10 0 BCAERO C[C@@H]([NH3+])c1c(F)cccc1N1CCNC(=O)C1 ZINC000019872634 132328549 /nfs/dbraw/zinc/32/85/49/132328549.db2.gz YAJVQHBNXAJQDP-MRVPVSSYSA-N 1 0 237.278 0.782 10 0 BCAERO C[C@H]1CN(c2ncccc2C[NH3+])CCO1 ZINC000022165726 132332365 /nfs/dbraw/zinc/33/23/65/132332365.db2.gz RZOCHCXOQXEIIY-VIFPVBQESA-N 1 0 207.277 0.765 10 0 BCAERO [NH3+]Cc1ccnc(N2CCC(O)CC2)c1 ZINC000022170827 132332636 /nfs/dbraw/zinc/33/26/36/132332636.db2.gz BBYCOQITOSLYFM-UHFFFAOYSA-N 1 0 207.277 0.501 10 0 BCAERO c1nc2cc(N3CC[NH2+]CC3)ccc2[nH]1 ZINC000034451033 132336456 /nfs/dbraw/zinc/33/64/56/132336456.db2.gz BYRZMVHZMLASEL-UHFFFAOYSA-N 1 0 202.261 0.973 10 0 BCAERO O=C1CN(c2ccccc2C[NH2+]C2CC2)CCN1 ZINC000034824149 132337027 /nfs/dbraw/zinc/33/70/27/132337027.db2.gz MHQNMGPCQGCWMY-UHFFFAOYSA-N 1 0 245.326 0.875 10 0 BCAERO C[C@@H]1CO[C@@H](C)CN1c1ncccc1C(N)=[NH2+] ZINC000035786660 132339630 /nfs/dbraw/zinc/33/96/30/132339630.db2.gz VNFHBDISEJFGSJ-BDAKNGLRSA-N 1 0 234.303 0.979 10 0 BCAERO Cc1cc(N)cnc1N1CC[NH+](CCO)CC1 ZINC000036241570 132341183 /nfs/dbraw/zinc/34/11/83/132341183.db2.gz KXGNENCPRKTYAC-UHFFFAOYSA-N 1 0 236.319 0.087 10 0 BCAERO CC[C@H](CC[NH3+])N1CCN(c2ncccn2)CC1 ZINC000036677528 132342268 /nfs/dbraw/zinc/34/22/68/132342268.db2.gz MEYGFWNTDOKCHR-GFCCVEGCSA-N 1 0 249.362 0.726 10 0 BCAERO CC(C)[NH2+]CC(=O)N1CC(=O)Nc2ccccc21 ZINC000037385952 132344142 /nfs/dbraw/zinc/34/41/42/132344142.db2.gz WPUPIQJNJOROEP-UHFFFAOYSA-N 1 0 247.298 0.970 10 0 BCAERO COC1CCN(c2ncccc2C(N)=[NH2+])CC1 ZINC000037266399 132344296 /nfs/dbraw/zinc/34/42/96/132344296.db2.gz ZERRWFITVZZMPI-UHFFFAOYSA-N 1 0 234.303 0.981 10 0 BCAERO C[NH2+]C1CCN(c2ccnc(C(N)=O)c2)CC1 ZINC000037537194 132344739 /nfs/dbraw/zinc/34/47/39/132344739.db2.gz PBYCHXWEPSIMFN-UHFFFAOYSA-N 1 0 234.303 0.369 10 0 BCAERO NC(=[NH2+])CCN1CCN(c2ccccn2)CC1 ZINC000038971099 132346349 /nfs/dbraw/zinc/34/63/49/132346349.db2.gz KHPYRLHULCSRAR-UHFFFAOYSA-N 1 0 233.319 0.530 10 0 BCAERO NC(=O)c1ccccc1N1CCC[C@@H]([NH3+])C1 ZINC000041030134 132348831 /nfs/dbraw/zinc/34/88/31/132348831.db2.gz UYTZJMNARAGZAT-SECBINFHSA-N 1 0 219.288 0.713 10 0 BCAERO Cc1ccc(N2CCO[C@@H](C[NH3+])C2)nc1 ZINC000041059063 132349417 /nfs/dbraw/zinc/34/94/17/132349417.db2.gz ILQLGQOCGODKII-JTQLQIEISA-N 1 0 207.277 0.554 10 0 BCAERO NC(=O)[C@@H]1CCCCN1c1ccc(C[NH3+])cn1 ZINC000042403555 132351237 /nfs/dbraw/zinc/35/12/37/132351237.db2.gz OOHFPJBJXSXRTR-JTQLQIEISA-N 1 0 234.303 0.385 10 0 BCAERO CNC(=O)[C@@H]1CCCCN1c1ncccc1C[NH3+] ZINC000042408007 132351559 /nfs/dbraw/zinc/35/15/59/132351559.db2.gz VJFRAHZZLZMOTJ-NSHDSACASA-N 1 0 248.330 0.645 10 0 BCAERO C[C@@H]1CC[C@H](C(N)=O)CN1c1ccc(C[NH3+])cn1 ZINC000042427006 132351673 /nfs/dbraw/zinc/35/16/73/132351673.db2.gz DLUHSMCKGWGSGI-KOLCDFICSA-N 1 0 248.330 0.631 10 0 BCAERO C[C@@H]1CC[C@@H](C(N)=O)CN1c1cc[nH+]cc1N ZINC000042427640 132352010 /nfs/dbraw/zinc/35/20/10/132352010.db2.gz KLGXEGGPFYUABJ-RKDXNWHRSA-N 1 0 234.303 0.754 10 0 BCAERO NC(=O)[C@@H]1CCCN(c2cc(N)cc[nH+]2)C1 ZINC000043567880 132353420 /nfs/dbraw/zinc/35/34/20/132353420.db2.gz ZAOHIBCCGDSBDT-MRVPVSSYSA-N 1 0 220.276 0.366 10 0 BCAERO Nc1cc[nH+]c(N2CCC[C@H](CO)C2)c1 ZINC000043568986 132353667 /nfs/dbraw/zinc/35/36/67/132353667.db2.gz FIBVXZGVRAZOFG-VIFPVBQESA-N 1 0 207.277 0.873 10 0 BCAERO Cc1[nH+]c(N2CCOCC2)nc(N)c1C ZINC000045628401 132354604 /nfs/dbraw/zinc/35/46/04/132354604.db2.gz VVAXYAOVYQGBST-UHFFFAOYSA-N 1 0 208.265 0.512 10 0 BCAERO [NH3+]Cc1ccccc1N1CCS(=O)CC1 ZINC000049691186 132356285 /nfs/dbraw/zinc/35/62/85/132356285.db2.gz IBYXRRXYGYGQHV-UHFFFAOYSA-N 1 0 224.329 0.714 10 0 BCAERO [NH3+]Cc1ccnc(N2CCS(=O)CC2)c1 ZINC000049691182 132356318 /nfs/dbraw/zinc/35/63/18/132356318.db2.gz UTSWVGFZLGBDKG-UHFFFAOYSA-N 1 0 225.317 0.109 10 0 BCAERO CC[C@H](C[NH2+]C)N1CCN(c2ncccn2)CC1 ZINC000052418444 132362227 /nfs/dbraw/zinc/36/22/27/132362227.db2.gz DFELZXPTYMDFOV-GFCCVEGCSA-N 1 0 249.362 0.597 10 0 BCAERO C[NH2+]CC[C@@H](C)N1CCN(c2ncccn2)CC1 ZINC000052418474 132362249 /nfs/dbraw/zinc/36/22/49/132362249.db2.gz WBGIGWWNOOLHOS-GFCCVEGCSA-N 1 0 249.362 0.597 10 0 BCAERO O=C1Nc2cc(F)ccc2N2CC[NH2+]C[C@H]12 ZINC000053151310 132362871 /nfs/dbraw/zinc/36/28/71/132362871.db2.gz JVNKDVUCNSCZDX-SNVBAGLBSA-N 1 0 221.235 0.556 10 0 BCAERO C[C@@H]1CN(c2ncccc2C(N)=O)C[C@H](C)[NH2+]1 ZINC000053711651 132363351 /nfs/dbraw/zinc/36/33/51/132363351.db2.gz JIXRTYJHOXWUSP-DTORHVGOSA-N 1 0 234.303 0.367 10 0 BCAERO Cc1cc(C)nc(N2CC[NH2+]C[C@@H]2C)n1 ZINC000054374801 132363973 /nfs/dbraw/zinc/36/39/73/132363973.db2.gz JZCGVPVOVAKKIW-JTQLQIEISA-N 1 0 206.293 0.892 10 0 BCAERO Cc1cnc(C)c(N2CC[NH2+]C[C@@H]2C)n1 ZINC000054374805 132364296 /nfs/dbraw/zinc/36/42/96/132364296.db2.gz VPSQCCVNWQOQCP-VIFPVBQESA-N 1 0 206.293 0.892 10 0 BCAERO [NH3+]Cc1nccnc1N1CCC(CO)CC1 ZINC000054377060 132364355 /nfs/dbraw/zinc/36/43/55/132364355.db2.gz UEYMOKOTFGIWTR-UHFFFAOYSA-N 1 0 222.292 0.144 10 0 BCAERO CC[C@H]1COCCN1c1nccnc1C[NH3+] ZINC000054377426 132364543 /nfs/dbraw/zinc/36/45/43/132364543.db2.gz AHQRBNAQIDFPBR-VIFPVBQESA-N 1 0 222.292 0.551 10 0 BCAERO COC1CCN(c2nccnc2C(N)=[NH2+])CC1 ZINC000054379607 132364705 /nfs/dbraw/zinc/36/47/05/132364705.db2.gz QWMNBMVZJLQCMX-UHFFFAOYSA-N 1 0 235.291 0.376 10 0 BCAERO [NH3+]Cc1cc(N2CCC[C@H](CO)C2)ccn1 ZINC000060382282 132368698 /nfs/dbraw/zinc/36/86/98/132368698.db2.gz ZAAVQMIWQXOZMS-JTQLQIEISA-N 1 0 221.304 0.749 10 0 BCAERO Cc1ccc2c(c1)NC(=O)[C@H]1C[NH2+]CCN21 ZINC000060267949 132368710 /nfs/dbraw/zinc/36/87/10/132368710.db2.gz BPKVVXCYPXAWRN-LLVKDONJSA-N 1 0 217.272 0.725 10 0 BCAERO [NH3+]Cc1cc(N2CCC(O)CC2)ccn1 ZINC000060382285 132368769 /nfs/dbraw/zinc/36/87/69/132368769.db2.gz BJQPIXYHBNAZLS-UHFFFAOYSA-N 1 0 207.277 0.501 10 0 BCAERO C[C@H]1C[NH2+]CCN1c1nccn(C2CC2)c1=O ZINC000061768521 132387287 /nfs/dbraw/zinc/38/72/87/132387287.db2.gz ZXEWQIAOQXJHEU-VIFPVBQESA-N 1 0 234.303 0.376 10 0 BCAERO C[C@H]([NH3+])[C@H]1CCCCN1c1ncccc1C(N)=O ZINC000063196906 132389276 /nfs/dbraw/zinc/38/92/76/132389276.db2.gz OCVZNXXNUFOQPJ-GXSJLCMTSA-N 1 0 248.330 0.887 10 0 BCAERO C[C@@H]([NH3+])[C@H]1CCCCN1c1ncccc1C(N)=O ZINC000063196907 132389383 /nfs/dbraw/zinc/38/93/83/132389383.db2.gz OCVZNXXNUFOQPJ-MWLCHTKSSA-N 1 0 248.330 0.887 10 0 BCAERO C[NH2+]C[C@H]1CCCCN1c1nccnc1C(N)=O ZINC000063169478 132389429 /nfs/dbraw/zinc/38/94/29/132389429.db2.gz PPDFBSPFAJRLKB-SECBINFHSA-N 1 0 249.318 0.154 10 0 BCAERO C[C@H]([NH3+])[C@H]1CCCCN1c1cncc2nnnn21 ZINC000063196558 132389502 /nfs/dbraw/zinc/38/95/02/132389502.db2.gz GOKCVUXXLGGCBQ-DTWKUNHWSA-N 1 0 247.306 0.225 10 0 BCAERO Nc1c(Cl)ccnc1N1CC[NH2+]CC1 ZINC000074378198 132399576 /nfs/dbraw/zinc/39/95/76/132399576.db2.gz UNCMYMWGJCYVES-UHFFFAOYSA-N 1 0 212.684 0.727 10 0 BCAERO C[C@H]1CN(c2ccccc2C(N)=O)[C@@H](C)C[NH2+]1 ZINC000083360064 132422844 /nfs/dbraw/zinc/42/28/44/132422844.db2.gz LOOBXZVRTGKDRJ-UWVGGRQHSA-N 1 0 233.315 0.972 10 0 BCAERO CC[C@H](CCO)NC(=O)[C@H]([NH3+])CCSC ZINC000157815626 133492512 /nfs/dbraw/zinc/49/25/12/133492512.db2.gz LHZIQPXIWCHKOX-RKDXNWHRSA-N 1 0 234.365 0.344 10 0 BCAERO C[C@@H]1CN(C(=O)[C@@H]2CCC[C@H]2[NH3+])C[C@@H](C)O1 ZINC000251741786 133646635 /nfs/dbraw/zinc/64/66/35/133646635.db2.gz RJNFAEMNTIGMMZ-GWOFURMSSA-N 1 0 226.320 0.750 10 0 BCAERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)C1CC2(CCC2)C1 ZINC000335470540 133878417 /nfs/dbraw/zinc/87/84/17/133878417.db2.gz QAJIKNRLDTYEEC-MNOVXSKESA-N 1 0 238.331 0.263 10 0 BCAERO Cc1nn(C)cc1C[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000167858022 134154392 /nfs/dbraw/zinc/15/43/92/134154392.db2.gz NRAPXLHRKDEIRC-CMPLNLGQSA-N 1 0 222.336 0.946 10 0 BCAERO Cn1nccc1NC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000085012308 134221124 /nfs/dbraw/zinc/22/11/24/134221124.db2.gz TVOFGUXDVQYTAZ-JGVFFNPUSA-N 1 0 208.265 0.486 10 0 BCAERO CCOCCNC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000085010748 134221192 /nfs/dbraw/zinc/22/11/92/134221192.db2.gz GLGQPKOQTKRHBK-RKDXNWHRSA-N 1 0 200.282 0.267 10 0 BCAERO [NH3+][C@@H]1CC[C@@H](C(=O)NCc2cscn2)C1 ZINC000085013303 134221392 /nfs/dbraw/zinc/22/13/92/134221392.db2.gz LRFWLSZKRFODFH-HTQZYQBOSA-N 1 0 225.317 0.887 10 0 BCAERO CCOC(=O)CCNC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000085012531 134221561 /nfs/dbraw/zinc/22/15/61/134221561.db2.gz XCYGBGYWWMYZNB-IUCAKERBSA-N 1 0 228.292 0.183 10 0 BCAERO CO[C@H](C)C(=O)N(C)C[C@H]1CC[N@H+](C)C1 ZINC000168685422 134241887 /nfs/dbraw/zinc/24/18/87/134241887.db2.gz MHHYIFUMLJUBDO-ZJUUUORDSA-N 1 0 214.309 0.431 10 0 BCAERO CN(C(=O)Cc1ccc(F)cc1)C1C[NH2+]C1 ZINC000085257679 134269375 /nfs/dbraw/zinc/26/93/75/134269375.db2.gz KXPCTXLDKSIPDH-UHFFFAOYSA-N 1 0 222.263 0.798 10 0 BCAERO CCOCC[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000173926472 134276551 /nfs/dbraw/zinc/27/65/51/134276551.db2.gz CLDIGOHVYPJJDJ-LBPRGKRZSA-N 1 0 228.336 0.429 10 0 BCAERO COCCOCC[N@@H+]1CCC[C@H](NC(C)=O)C1 ZINC000175584658 134288080 /nfs/dbraw/zinc/28/80/80/134288080.db2.gz MPJIOLXLCYODLB-LBPRGKRZSA-N 1 0 244.335 0.250 10 0 BCAERO CCC(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000176891621 134294678 /nfs/dbraw/zinc/29/46/78/134294678.db2.gz LGJIFWRUCQZCQP-NSHDSACASA-N 1 0 242.363 0.948 10 0 BCAERO C[C@H]1C[N@H+](CCCO)C[C@@H]1N1CCOCC1 ZINC000177255428 134296600 /nfs/dbraw/zinc/29/66/00/134296600.db2.gz YLCRBDKYYLKNMP-RYUDHWBXSA-N 1 0 228.336 0.021 10 0 BCAERO O=C(Nc1cccnn1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000178256195 134305165 /nfs/dbraw/zinc/30/51/65/134305165.db2.gz OMKLZUOSWODBAV-SNVBAGLBSA-N 1 0 247.302 0.789 10 0 BCAERO [NH3+][C@H]1CCC[C@@H]1C(=O)NCc1cccc(CO)c1 ZINC000178525238 134307850 /nfs/dbraw/zinc/30/78/50/134307850.db2.gz ZWXWRCISJWZJPQ-STQMWFEESA-N 1 0 248.326 0.923 10 0 BCAERO C[C@@H]([NH3+])CCNC(=O)CCOC[C@H]1CCCO1 ZINC000178617437 134312014 /nfs/dbraw/zinc/31/20/14/134312014.db2.gz LLOCTUSGMBFXMK-GHMZBOCLSA-N 1 0 244.335 0.426 10 0 BCAERO CN1CCO[C@H](C[NH2+]CC[C@@H]2CCOC2)C1 ZINC000220698904 134312122 /nfs/dbraw/zinc/31/21/22/134312122.db2.gz WBSJSYGTEDRHSV-VXGBXAGGSA-N 1 0 228.336 0.333 10 0 BCAERO C[Si](C)(C)C[N@@H+]1C[C@@H](O)C[C@@H]1CO ZINC000179173937 134317969 /nfs/dbraw/zinc/31/79/69/134317969.db2.gz JOBQKZFXNFCSJA-BDAKNGLRSA-N 1 0 203.358 0.291 10 0 BCAERO COCCC[C@@H](C)[NH2+]C[C@H]1CN(C)CCO1 ZINC000180495299 134329019 /nfs/dbraw/zinc/32/90/19/134329019.db2.gz XCLYRIOIAZYEBT-NEPJUHHUSA-N 1 0 230.352 0.722 10 0 BCAERO COCCC[C@@H](C)[NH2+][C@H]1CCc2ncnn2C1 ZINC000180598217 134330170 /nfs/dbraw/zinc/33/01/70/134330170.db2.gz JMGBSPHVJKNGAL-MNOVXSKESA-N 1 0 238.335 0.998 10 0 BCAERO COC[C@H]([NH2+][C@@H]1CCc2ncnn2C1)C(C)C ZINC000180600818 134330421 /nfs/dbraw/zinc/33/04/21/134330421.db2.gz RBDDDKWDKNNUNL-MNOVXSKESA-N 1 0 238.335 0.854 10 0 BCAERO Cc1oncc1CN1CCO[C@@H](C[NH+](C)C)C1 ZINC000181693577 134338744 /nfs/dbraw/zinc/33/87/44/134338744.db2.gz AHKPOQZYBXSFBR-LBPRGKRZSA-N 1 0 239.319 0.745 10 0 BCAERO CC(C)OC[C@H](O)CN1C[C@@H](C)[C@@H]([NH+](C)C)C1 ZINC000226091418 134358647 /nfs/dbraw/zinc/35/86/47/134358647.db2.gz LHVSNQSDOPARLA-UPJWGTAASA-N 1 0 244.379 0.654 10 0 BCAERO CCC(O)(CC)C[N@@H+]1CCC[C@@H](C(=O)NC)C1 ZINC000226013933 134358665 /nfs/dbraw/zinc/35/86/65/134358665.db2.gz VMJGZPSVEYOTBQ-LLVKDONJSA-N 1 0 242.363 0.996 10 0 BCAERO COC(=O)[C@H](C)C[N@@H+]1CCC[C@H]1CO ZINC000085397135 134361045 /nfs/dbraw/zinc/36/10/45/134361045.db2.gz FVRUHFFVQOJXJZ-BDAKNGLRSA-N 1 0 201.266 0.252 10 0 BCAERO OCCCCN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000226201447 134361371 /nfs/dbraw/zinc/36/13/71/134361371.db2.gz IATOYPZWBWDDLE-GFCCVEGCSA-N 1 0 212.337 0.929 10 0 BCAERO CO[C@H](C)C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000226640220 134368700 /nfs/dbraw/zinc/36/87/00/134368700.db2.gz SBOGDELYASHIHU-AXFHLTTASA-N 1 0 226.320 0.716 10 0 BCAERO CCc1nn(C)cc1NC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000226705065 134370633 /nfs/dbraw/zinc/37/06/33/134370633.db2.gz FKIDVFGZIIEFDV-RKDXNWHRSA-N 1 0 236.319 0.777 10 0 BCAERO COC(=O)[C@H](C1CC1)N1C[C@@H](C)[C@H]([NH+](C)C)C1 ZINC000227228348 134376205 /nfs/dbraw/zinc/37/62/05/134376205.db2.gz TZSSHZCZWOGCQV-JLLWLGSASA-N 1 0 240.347 0.820 10 0 BCAERO COC(=O)[C@@H]1CCC[N@@H+]([C@@H]2CCN(C)C2=O)C1 ZINC000227210406 134376210 /nfs/dbraw/zinc/37/62/10/134376210.db2.gz ZSBVRYYSANWILE-NXEZZACHSA-N 1 0 240.303 0.102 10 0 BCAERO CCOc1cc(N2CC[C@H](C[NH3+])C2)ncn1 ZINC000085482536 134377644 /nfs/dbraw/zinc/37/76/44/134377644.db2.gz YCVXVZRODNWSIT-SECBINFHSA-N 1 0 222.292 0.660 10 0 BCAERO Cc1cnc(CNC(=O)[C@@H]2C[NH2+]C[C@H]2C)s1 ZINC000227433429 134380193 /nfs/dbraw/zinc/38/01/93/134380193.db2.gz DBSYUGCECTWEJT-VXNVDRBHSA-N 1 0 239.344 0.923 10 0 BCAERO COC(=O)[C@H](C)CN1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000227463946 134384304 /nfs/dbraw/zinc/38/43/04/134384304.db2.gz HSSFMWNQAAMHAH-WOPDTQHZSA-N 1 0 240.347 0.964 10 0 BCAERO CCCCOC[C@@H](O)C[NH2+][C@H](CO)C(C)C ZINC000227894231 134397796 /nfs/dbraw/zinc/39/77/96/134397796.db2.gz YDVATLSCAXYZCA-NWDGAFQWSA-N 1 0 233.352 0.771 10 0 BCAERO CCCCOC[C@@H](O)C[NH2+][C@@H](CO)C(C)C ZINC000227894219 134397875 /nfs/dbraw/zinc/39/78/75/134397875.db2.gz YDVATLSCAXYZCA-RYUDHWBXSA-N 1 0 233.352 0.771 10 0 BCAERO Cc1nc(CCNC(=O)C2C[NH2+]C2)cs1 ZINC000230051032 134478652 /nfs/dbraw/zinc/47/86/52/134478652.db2.gz RVMUHCYILBZNBM-UHFFFAOYSA-N 1 0 225.317 0.330 10 0 BCAERO COCCC(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000085727272 134517562 /nfs/dbraw/zinc/51/75/62/134517562.db2.gz JUYAASJYAMOZEG-IUCAKERBSA-N 1 0 200.282 0.280 10 0 BCAERO C[C@@H]([NH3+])CCNc1nnnn1-c1ccccc1 ZINC000063171455 134524188 /nfs/dbraw/zinc/52/41/88/134524188.db2.gz RYJQLHQVJLPCHM-SECBINFHSA-N 1 0 232.291 0.812 10 0 BCAERO COCC[C@H](C)[NH2+]C[C@H]1CN(C)CCO1 ZINC000085790211 134544106 /nfs/dbraw/zinc/54/41/06/134544106.db2.gz GWRMAOCZWNFTKS-QWRGUYRKSA-N 1 0 216.325 0.332 10 0 BCAERO CC(C)OC1CC([NH2+]C[C@H]2CN(C)CCO2)C1 ZINC000189533719 134548216 /nfs/dbraw/zinc/54/82/16/134548216.db2.gz QMXBXVVJDXXFMP-BPCQOVAHSA-N 1 0 242.363 0.863 10 0 BCAERO C[C@@H]1CN(C(=O)c2cccc(=O)[nH]2)C[C@H]1[NH+](C)C ZINC000235360610 134592661 /nfs/dbraw/zinc/59/26/61/134592661.db2.gz YSHSPZJNPSZSPX-MWLCHTKSSA-N 1 0 249.314 0.397 10 0 BCAERO COC[C@H](C)C(=O)NC1(C)CC[NH2+]CC1 ZINC000193390603 134595986 /nfs/dbraw/zinc/59/59/86/134595986.db2.gz GHKABEXOEMPFAN-VIFPVBQESA-N 1 0 214.309 0.527 10 0 BCAERO C[C@H]1CN(C(=O)c2ccccn2)C[C@H]1[NH3+] ZINC000235668279 134596771 /nfs/dbraw/zinc/59/67/71/134596771.db2.gz GOZJWILMWAIXMH-DTWKUNHWSA-N 1 0 205.261 0.501 10 0 BCAERO CC(C)CC[NH2+]CCNC(=O)c1nonc1N ZINC000032500006 134600874 /nfs/dbraw/zinc/60/08/74/134600874.db2.gz NWVMPXQCGLQNSZ-UHFFFAOYSA-N 1 0 241.295 0.017 10 0 BCAERO O=C(Cc1ccncc1)NC1CC[NH2+]CC1 ZINC000037116441 134602798 /nfs/dbraw/zinc/60/27/98/134602798.db2.gz VZDXPDLXGJOESQ-UHFFFAOYSA-N 1 0 219.288 0.492 10 0 BCAERO CC[C@H]([NH3+])C(=O)N[C@@H]1CCCC[C@@H]1OC ZINC000153754286 134651102 /nfs/dbraw/zinc/65/11/02/134651102.db2.gz ZBPJUZRDAFKWKA-AEJSXWLSSA-N 1 0 214.309 0.798 10 0 BCAERO CCOC(=O)C(C)(C)NC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000155503063 134692571 /nfs/dbraw/zinc/69/25/71/134692571.db2.gz PNTPQSMPNZYRAW-DTWKUNHWSA-N 1 0 242.319 0.572 10 0 BCAERO CCOC(=O)CC[NH2+][C@H]1CCO[C@@H]1C ZINC000134390364 134709505 /nfs/dbraw/zinc/70/95/05/134709505.db2.gz CLEVYBQLRJWOKP-BDAKNGLRSA-N 1 0 201.266 0.707 10 0 BCAERO COC[C@@H]([NH3+])C(=O)Nc1ccc(OC)c(F)c1 ZINC000159606901 134782661 /nfs/dbraw/zinc/78/26/61/134782661.db2.gz AFNSNZGFCSMTCY-SECBINFHSA-N 1 0 242.250 0.747 10 0 BCAERO CSC(C)(C)CNC(=O)[C@@H]1CC[NH2+]C1 ZINC000158270658 134824980 /nfs/dbraw/zinc/82/49/80/134824980.db2.gz UUNMPIOTZOSEJV-MRVPVSSYSA-N 1 0 216.350 0.854 10 0 BCAERO C[NH+](C)[C@@H]1CCN(c2cc(Cl)nc(N)n2)C1 ZINC000082409915 134967210 /nfs/dbraw/zinc/96/72/10/134967210.db2.gz VSWOYHQUAOCAQF-SSDOTTSWSA-N 1 0 241.726 0.853 10 0 BCAERO COCC1CCN(C(=O)[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000070084342 134974440 /nfs/dbraw/zinc/97/44/40/134974440.db2.gz BWCQNCHZXVXBSZ-ZYHUDNBSSA-N 1 0 240.347 0.727 10 0 BCAERO C[C@H](O)C[N@@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000248647223 135018095 /nfs/dbraw/zinc/01/80/95/135018095.db2.gz IDZJQFWTNKWNOK-ONGXEEELSA-N 1 0 209.293 0.938 10 0 BCAERO c1cnc(CN2CC[N@@H+]3CCC[C@H]3C2)nc1 ZINC000248906568 135026366 /nfs/dbraw/zinc/02/63/66/135026366.db2.gz WOLPCWMMHVAAFL-NSHDSACASA-N 1 0 218.304 0.757 10 0 BCAERO C[C@@H]1C(=O)NCCC[N@H+]1C[C@H]1CCCO1 ZINC000249030098 135030397 /nfs/dbraw/zinc/03/03/97/135030397.db2.gz LNQFJZDZJYXNJZ-NXEZZACHSA-N 1 0 212.293 0.376 10 0 BCAERO CO[C@@H](C)CC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000249802131 135045559 /nfs/dbraw/zinc/04/55/59/135045559.db2.gz AIGUDHZJJJVDAA-QWRGUYRKSA-N 1 0 226.320 0.718 10 0 BCAERO COC(=O)[C@H](C)C[N@@H+]1CCCC[C@H]1CO ZINC000251082997 135063278 /nfs/dbraw/zinc/06/32/78/135063278.db2.gz IJGNFVGGUOHETN-ZJUUUORDSA-N 1 0 215.293 0.642 10 0 BCAERO CNC(=O)[C@@H]1CCC[N@@H+]1C[C@H](C)C(=O)OC ZINC000251130266 135064076 /nfs/dbraw/zinc/06/40/76/135064076.db2.gz TYYDMXITELKHQJ-IUCAKERBSA-N 1 0 228.292 0.006 10 0 BCAERO COCC[C@H](C)NC(=O)[C@H]1CCC[C@H]1[NH3+] ZINC000251211042 135066404 /nfs/dbraw/zinc/06/64/04/135066404.db2.gz MGSJGXUQCWMACT-LPEHRKFASA-N 1 0 214.309 0.655 10 0 BCAERO CC[C@H](C)NC(=O)C[NH2+][C@@H]1CCO[C@H]1C ZINC000251850343 135078599 /nfs/dbraw/zinc/07/85/99/135078599.db2.gz MXPIBTYIRLBPRU-LPEHRKFASA-N 1 0 214.309 0.668 10 0 BCAERO C[C@@H]1C[C@H]([NH2+][C@H]2CCCNC2=O)CCO1 ZINC000252156335 135085501 /nfs/dbraw/zinc/08/55/01/135085501.db2.gz PEMAUNKMGGDPFJ-BBBLOLIVSA-N 1 0 212.293 0.422 10 0 BCAERO COC(=O)CCN1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000252443709 135089434 /nfs/dbraw/zinc/08/94/34/135089434.db2.gz NVSGMMMIQDNLHB-MNOVXSKESA-N 1 0 226.320 0.718 10 0 BCAERO C[C@H]1C[N@H+](CCCCO)C[C@H]1N(C)C ZINC000252493746 135090625 /nfs/dbraw/zinc/09/06/25/135090625.db2.gz WAHWZVNTYVOGGB-WDEREUQCSA-N 1 0 200.326 0.641 10 0 BCAERO C[C@H]1CCC[N@@H+]1C[C@@H](O)CN1CCCC1=O ZINC000252480726 135090772 /nfs/dbraw/zinc/09/07/72/135090772.db2.gz FPZXAXPTOKNPEP-WDEREUQCSA-N 1 0 226.320 0.454 10 0 BCAERO OC[C@@H](O)CSCC[NH+]1CCCCC1 ZINC000086660488 135091570 /nfs/dbraw/zinc/09/15/70/135091570.db2.gz ROUAZMQVZWRJGH-SNVBAGLBSA-N 1 0 219.350 0.559 10 0 BCAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)[C@H]1CCOC1 ZINC000252544097 135092420 /nfs/dbraw/zinc/09/24/20/135092420.db2.gz HUQDBSYYJCRMFC-LPEHRKFASA-N 1 0 212.293 0.280 10 0 BCAERO C[N@H+](C[C@H]1CCC[C@H]1O)CC(C)(C)O ZINC000252597121 135093035 /nfs/dbraw/zinc/09/30/35/135093035.db2.gz IUXIGUVUBPDUHJ-NXEZZACHSA-N 1 0 201.310 0.850 10 0 BCAERO CCOC[C@H](O)CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000252674940 135096198 /nfs/dbraw/zinc/09/61/98/135096198.db2.gz WBNGTVQSUHMTTQ-NWDGAFQWSA-N 1 0 228.336 0.164 10 0 BCAERO CCOC[C@@H](O)CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000252674941 135096246 /nfs/dbraw/zinc/09/62/46/135096246.db2.gz WBNGTVQSUHMTTQ-RYUDHWBXSA-N 1 0 228.336 0.164 10 0 BCAERO C[C@@H]1CN(C(=O)N[C@H]2CCOC2)C[C@H]1[NH+](C)C ZINC000252698849 135098840 /nfs/dbraw/zinc/09/88/40/135098840.db2.gz PNEJNORVSUMQHZ-OUAUKWLOSA-N 1 0 241.335 0.367 10 0 BCAERO CC[C@H](O)CCNC(=O)[C@H]1CCC[C@H]1[NH3+] ZINC000252715917 135101947 /nfs/dbraw/zinc/10/19/47/135101947.db2.gz XBXQPPKRVDRRCG-LPEHRKFASA-N 1 0 214.309 0.391 10 0 BCAERO OCC[C@@H]1CC[N@@H+]([C@H]2CCCC[C@H]2O)C1 ZINC000252726239 135102993 /nfs/dbraw/zinc/10/29/93/135102993.db2.gz QZWQSHLQJATTLB-SDDRHHMPSA-N 1 0 213.321 0.994 10 0 BCAERO CC(C)N1C[C@H](C)[C@H]([NH2+][C@H](C)CC(N)=O)C1 ZINC000252726982 135103011 /nfs/dbraw/zinc/10/30/11/135103011.db2.gz JUOFMTDZVJMFKO-HBNTYKKESA-N 1 0 227.352 0.569 10 0 BCAERO C[NH2+]CCC(=O)NCCC1CCOCC1 ZINC000258642398 135103227 /nfs/dbraw/zinc/10/32/27/135103227.db2.gz ABYXFNGOJDVIAM-UHFFFAOYSA-N 1 0 214.309 0.529 10 0 BCAERO C[C@H](C[NH3+])C(=O)NCCC1CCOCC1 ZINC000258882757 135104223 /nfs/dbraw/zinc/10/42/23/135104223.db2.gz UNFSWKIUYPGTIL-SECBINFHSA-N 1 0 214.309 0.514 10 0 BCAERO COCCCCNC(=O)[C@@H]1CC[C@@H](C[NH3+])O1 ZINC000087046971 135105372 /nfs/dbraw/zinc/10/53/72/135105372.db2.gz UJWSWVYMPZDKTR-UWVGGRQHSA-N 1 0 230.308 0.036 10 0 BCAERO COCCCCNC(=O)[C@H]1CC[C@H](C[NH3+])O1 ZINC000087046968 135105450 /nfs/dbraw/zinc/10/54/50/135105450.db2.gz UJWSWVYMPZDKTR-NXEZZACHSA-N 1 0 230.308 0.036 10 0 BCAERO CCOCCCNC(=O)[C@@H]1CCC[NH2+][C@H]1C ZINC000087121753 135106913 /nfs/dbraw/zinc/10/69/13/135106913.db2.gz OVLDGWSFWWBZLR-WDEREUQCSA-N 1 0 228.336 0.917 10 0 BCAERO C[NH2+][C@@H](C)CNC(=O)c1c(C)noc1C ZINC000261535998 135108890 /nfs/dbraw/zinc/10/88/90/135108890.db2.gz QAJXOSZJZJJCFB-LURJTMIESA-N 1 0 211.265 0.629 10 0 BCAERO CO[C@H](C)C(=O)N1CC[C@H](C)C[C@H]1C[NH3+] ZINC000261537812 135109190 /nfs/dbraw/zinc/10/91/90/135109190.db2.gz WHLOGLLRCQZRIT-AEJSXWLSSA-N 1 0 214.309 0.607 10 0 BCAERO [NH3+][C@H]1CCCN(C(=O)C2CC(F)(F)C2)C1 ZINC000261568080 135110404 /nfs/dbraw/zinc/11/04/04/135110404.db2.gz FGZVNUDTUUNXDJ-QMMMGPOBSA-N 1 0 218.247 0.981 10 0 BCAERO C[C@]1(CNC(=O)[C@@H]2CC[C@H]([NH3+])C2)CCCO1 ZINC000087253779 135114510 /nfs/dbraw/zinc/11/45/10/135114510.db2.gz ZMVQXNOZOPWCRG-JFGNBEQYSA-N 1 0 226.320 0.799 10 0 BCAERO C[C@@H](O)CC[N@@H+]1CCC[C@H]1CCCO ZINC000252874856 135114871 /nfs/dbraw/zinc/11/48/71/135114871.db2.gz QDQQDJGEUYKRMZ-MNOVXSKESA-N 1 0 201.310 0.994 10 0 BCAERO C[C@@H]1CC[NH2+][C@H](C(=O)NC[C@@H]2CCC[C@H]2O)C1 ZINC000253151451 135121864 /nfs/dbraw/zinc/12/18/64/135121864.db2.gz HIWRIHZDQHPYHN-NOOOWODRSA-N 1 0 240.347 0.652 10 0 BCAERO NC(=[NH2+])NCc1cccc(N2CCC2=O)c1 ZINC000262813234 135122696 /nfs/dbraw/zinc/12/26/96/135122696.db2.gz VWCZUIAJUMROBW-UHFFFAOYSA-N 1 0 218.260 0.406 10 0 BCAERO C[N@H+](CC1(O)CCOCC1)[C@H]1CCC[C@H]1O ZINC000253194349 135124141 /nfs/dbraw/zinc/12/41/41/135124141.db2.gz PXZUQHPLSWHKGY-WDEREUQCSA-N 1 0 229.320 0.373 10 0 BCAERO C[C@H](CCCO)NC(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000087360096 135124958 /nfs/dbraw/zinc/12/49/58/135124958.db2.gz UERGXHINKWZGCX-VWYCJHECSA-N 1 0 228.336 0.781 10 0 BCAERO CC[C@H](CCO)CNC(=O)[C@H]1CCC[C@@H]1[NH3+] ZINC000087370256 135127285 /nfs/dbraw/zinc/12/72/85/135127285.db2.gz KHGHPPNREOSVHO-VWYCJHECSA-N 1 0 228.336 0.639 10 0 BCAERO Cc1cccc(CNC(=O)NC2C[NH2+]C2)c1 ZINC000258690992 135133326 /nfs/dbraw/zinc/13/33/26/135133326.db2.gz UHEHUXXWZYCRNY-UHFFFAOYSA-N 1 0 219.288 0.766 10 0 BCAERO [NH3+]C[C@H]1CCCN1C(=O)C[C@H]1CCCCO1 ZINC000087420112 135137473 /nfs/dbraw/zinc/13/74/73/135137473.db2.gz JUQHKLLIBYSRMJ-GHMZBOCLSA-N 1 0 226.320 0.895 10 0 BCAERO C[C@H]1C(=O)N(C)CCN1C[C@H]1CCC[NH2+]C1 ZINC000257800682 135141379 /nfs/dbraw/zinc/14/13/79/135141379.db2.gz YLVIGKLJGVMZHT-QWRGUYRKSA-N 1 0 225.336 0.149 10 0 BCAERO CC[C@H](C)CNC(=O)C[C@H]1COCC[NH2+]1 ZINC000087509509 135150136 /nfs/dbraw/zinc/15/01/36/135150136.db2.gz QLZKYOWSXNBSSB-UWVGGRQHSA-N 1 0 214.309 0.527 10 0 BCAERO O[C@H]1C[NH2+]C[C@@H]1CNCc1ccsc1 ZINC000261528301 135153489 /nfs/dbraw/zinc/15/34/89/135153489.db2.gz MLFYOQWXTAZFJH-UWVGGRQHSA-N 1 0 212.318 0.418 10 0 BCAERO O=C(CC[C@H]1CCC[NH2+]1)NCC(F)F ZINC000261528634 135154089 /nfs/dbraw/zinc/15/40/89/135154089.db2.gz MXEMAJRKLGYAMM-SSDOTTSWSA-N 1 0 206.236 0.900 10 0 BCAERO CCCOCC(=O)N1CC[C@@H]([NH3+])[C@H]1C ZINC000261528595 135154555 /nfs/dbraw/zinc/15/45/55/135154555.db2.gz MLWINMIJPSGLQN-RKDXNWHRSA-N 1 0 200.282 0.361 10 0 BCAERO CC[C@@H](OC)C(=O)NC[C@H]1CC[NH2+]C1 ZINC000261529012 135155400 /nfs/dbraw/zinc/15/54/00/135155400.db2.gz ZTTRLUOBGDOFFJ-DTWKUNHWSA-N 1 0 200.282 0.137 10 0 BCAERO CC[C@H]([NH3+])C(=O)NCCC1CCOCC1 ZINC000261531010 135159179 /nfs/dbraw/zinc/15/91/79/135159179.db2.gz DWRQGPUFBAJCLR-JTQLQIEISA-N 1 0 214.309 0.657 10 0 BCAERO C[C@@H]([NH3+])CC(=O)N1[C@H](C)COC[C@@H]1C ZINC000261531070 135159359 /nfs/dbraw/zinc/15/93/59/135159359.db2.gz FBMXXNWAUWBLOU-HLTSFMKQSA-N 1 0 200.282 0.360 10 0 BCAERO COC[C@@H](C)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000261531644 135161069 /nfs/dbraw/zinc/16/10/69/135161069.db2.gz HJQQXCVCKIGJMW-BDAKNGLRSA-N 1 0 200.282 0.076 10 0 BCAERO O=C(NC[C@H]1CC[NH2+]C1)c1ncccc1O ZINC000087655008 135161885 /nfs/dbraw/zinc/16/18/85/135161885.db2.gz PTQMNRCOXYOIJB-QMMMGPOBSA-N 1 0 221.260 0.127 10 0 BCAERO Cc1occc1C(=O)NC[C@H]1CC[NH2+]C1 ZINC000087654770 135162043 /nfs/dbraw/zinc/16/20/43/135162043.db2.gz CJJDYFNHULQHGW-VIFPVBQESA-N 1 0 208.261 0.927 10 0 BCAERO Cc1cc(C(=O)NC[C@H]2CC[NH2+]C2)on1 ZINC000087654894 135162176 /nfs/dbraw/zinc/16/21/76/135162176.db2.gz ZORKROZRPKMYKO-QMMMGPOBSA-N 1 0 209.249 0.322 10 0 BCAERO COc1ccnc(NC[C@H]2CC[NH2+]C2)n1 ZINC000087655372 135162949 /nfs/dbraw/zinc/16/29/49/135162949.db2.gz MPWXDZCFURZHDY-QMMMGPOBSA-N 1 0 208.265 0.507 10 0 BCAERO CCOC(=O)CN1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261532810 135162989 /nfs/dbraw/zinc/16/29/89/135162989.db2.gz KFWHREVUEYZEQP-LPEHRKFASA-N 1 0 212.293 0.219 10 0 BCAERO CC(C)[C@H](C)NC(=O)CN1C[C@H]([NH3+])[C@@H](C)C1 ZINC000261532762 135163273 /nfs/dbraw/zinc/16/32/73/135163273.db2.gz DXMDWXCMEKVSEO-DCAQKATOSA-N 1 0 227.352 0.426 10 0 BCAERO C[C@H]1CN(S(=O)(=O)c2cccs2)C[C@H]1[NH3+] ZINC000261532636 135163738 /nfs/dbraw/zinc/16/37/38/135163738.db2.gz KAXALWILLOVVES-JGVFFNPUSA-N 1 0 246.357 0.716 10 0 BCAERO COC[C@H](C)C(=O)N1C[C@H](C)[NH2+]C[C@@H]1C ZINC000261533177 135163898 /nfs/dbraw/zinc/16/38/98/135163898.db2.gz AVYGVODRBLBDCQ-GUBZILKMSA-N 1 0 214.309 0.478 10 0 BCAERO CCN(CC)C(=O)[C@H](C)N1C[C@H]([NH3+])[C@@H](C)C1 ZINC000261533626 135165203 /nfs/dbraw/zinc/16/52/03/135165203.db2.gz IMXDCSJCXVZFGI-DCAQKATOSA-N 1 0 227.352 0.522 10 0 BCAERO COC[C@H]([NH3+])C(=O)N[C@H]1CCC[C@H](SC)C1 ZINC000261534776 135168328 /nfs/dbraw/zinc/16/83/28/135168328.db2.gz UDIKHHCMFLLTCI-GUBZILKMSA-N 1 0 246.376 0.751 10 0 BCAERO C[C@@H]1CCN(Cc2nccn2C)[C@H](C[NH3+])C1 ZINC000261534996 135168923 /nfs/dbraw/zinc/16/89/23/135168923.db2.gz VKFXQYYJHKKHDF-MNOVXSKESA-N 1 0 222.336 0.979 10 0 BCAERO CO[C@H](C)C(=O)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261535085 135169196 /nfs/dbraw/zinc/16/91/96/135169196.db2.gz NSTLGNWKCWTEIL-BDAKNGLRSA-N 1 0 214.309 0.607 10 0 BCAERO CCS[C@@H]1CCC[C@@H]1NC(=O)[C@H]([NH3+])COC ZINC000261535485 135169948 /nfs/dbraw/zinc/16/99/48/135169948.db2.gz ZOMGAVYHVAHENZ-KXUCPTDWSA-N 1 0 246.376 0.751 10 0 BCAERO [NH3+][C@@H]1CCCC[C@@H]1CC(=O)N[C@@H]1CCOC1 ZINC000087789881 135171413 /nfs/dbraw/zinc/17/14/13/135171413.db2.gz ASMUSQYNQPMRHY-GMTAPVOTSA-N 1 0 226.320 0.799 10 0 BCAERO CC(C)[C@H]1OCC[C@@H]1CNC(=O)C[NH3+] ZINC000261536422 135171837 /nfs/dbraw/zinc/17/18/37/135171837.db2.gz RQYGHHCIBKQBML-PSASIEDQSA-N 1 0 200.282 0.122 10 0 BCAERO CC(C)[C@@H]1OCC[C@H]1CNC(=O)C[NH3+] ZINC000261536425 135172579 /nfs/dbraw/zinc/17/25/79/135172579.db2.gz RQYGHHCIBKQBML-WPRPVWTQSA-N 1 0 200.282 0.122 10 0 BCAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000261536930 135173102 /nfs/dbraw/zinc/17/31/02/135173102.db2.gz UHBJYYRHVSAHEY-UVOCVTCTSA-N 1 0 208.305 0.981 10 0 BCAERO C[NH2+]CCC(=O)N1[C@@H](C)COC[C@@H]1C ZINC000261537475 135174159 /nfs/dbraw/zinc/17/41/59/135174159.db2.gz VSGFGCLCBJLVQH-IUCAKERBSA-N 1 0 200.282 0.232 10 0 BCAERO COCC(C)(C)CN1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000261538497 135176167 /nfs/dbraw/zinc/17/61/67/135176167.db2.gz YHFLVAQUMTWXSK-ZJUUUORDSA-N 1 0 200.326 0.938 10 0 BCAERO CCN(C)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261538593 135176708 /nfs/dbraw/zinc/17/67/08/135176708.db2.gz YRCGLMVZNXSECX-GUBZILKMSA-N 1 0 211.309 0.727 10 0 BCAERO CCO[C@@H]1C[C@H]1C(=O)NC1CC[NH2+]CC1 ZINC000261539054 135176867 /nfs/dbraw/zinc/17/68/67/135176867.db2.gz BLDAKDHBMXOTPV-NXEZZACHSA-N 1 0 212.293 0.280 10 0 BCAERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)c1ccsc1 ZINC000261539328 135177891 /nfs/dbraw/zinc/17/78/91/135177891.db2.gz CDCVKIFECVROKH-DTWKUNHWSA-N 1 0 226.301 0.058 10 0 BCAERO COC(=O)[C@H](C)N(C)C[C@@]1(C)CC[NH2+]C1 ZINC000261542070 135182539 /nfs/dbraw/zinc/18/25/39/135182539.db2.gz GLXBNXJRZPXXGD-ONGXEEELSA-N 1 0 214.309 0.479 10 0 BCAERO C[C@H](NC(=O)[C@H]1CCC[C@H]([NH3+])C1)c1nc[nH]n1 ZINC000261544448 135185580 /nfs/dbraw/zinc/18/55/80/135185580.db2.gz YEAFZEGZIUBWBE-CIUDSAMLSA-N 1 0 237.307 0.499 10 0 BCAERO Cc1cc(C)c(C(=O)NCC2C[NH2+]C2)[nH]1 ZINC000261544830 135185951 /nfs/dbraw/zinc/18/59/51/135185951.db2.gz JEKKVCIXELXFLP-UHFFFAOYSA-N 1 0 207.277 0.581 10 0 BCAERO COC[C@H](C)C(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000261548344 135186960 /nfs/dbraw/zinc/18/69/60/135186960.db2.gz NNCGDCLDYIWGAV-GUBZILKMSA-N 1 0 214.309 0.465 10 0 BCAERO Cc1ncsc1C[NH2+][C@@H]1CCCNC1=O ZINC000084149376 135188396 /nfs/dbraw/zinc/18/83/96/135188396.db2.gz WMGLIJUQIIBXJO-MRVPVSSYSA-N 1 0 225.317 0.820 10 0 BCAERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)c1cccs1 ZINC000261552182 135190956 /nfs/dbraw/zinc/19/09/56/135190956.db2.gz RAGVJKXXHLRZID-JGVFFNPUSA-N 1 0 226.301 0.058 10 0 BCAERO COC[C@]1(CNC(=O)[C@@H]2CC2(C)C)CCC[NH2+]1 ZINC000261552257 135191542 /nfs/dbraw/zinc/19/15/42/135191542.db2.gz MTWFYZVTAXCPHP-GXFFZTMASA-N 1 0 240.347 0.917 10 0 BCAERO CC(C)(C)CC(=O)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000261552846 135191785 /nfs/dbraw/zinc/19/17/85/135191785.db2.gz RXQJZODLKMDPME-BDAKNGLRSA-N 1 0 214.309 0.119 10 0 BCAERO CC(C)(C)CC(=O)NC[C@H]1C[NH2+]C[C@H]1O ZINC000261552849 135192373 /nfs/dbraw/zinc/19/23/73/135192373.db2.gz RXQJZODLKMDPME-RKDXNWHRSA-N 1 0 214.309 0.119 10 0 BCAERO CCC[C@](C)([NH3+])C(=O)NC[C@H]1CCC[C@@H]1O ZINC000084238237 135193324 /nfs/dbraw/zinc/19/33/24/135193324.db2.gz NLLCPCHYXHESDA-SCVCMEIPSA-N 1 0 228.336 0.781 10 0 BCAERO CC[C@H](OC)C(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000261553979 135193701 /nfs/dbraw/zinc/19/37/01/135193701.db2.gz TUNNKCXHCQRQDY-AEJSXWLSSA-N 1 0 214.309 0.668 10 0 BCAERO O=C(NCC1(O)C[NH2+]C1)Nc1ccccc1F ZINC000261554626 135194361 /nfs/dbraw/zinc/19/43/61/135194361.db2.gz PCSVWDYAWNYSMT-UHFFFAOYSA-N 1 0 239.250 0.282 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N1C[C@@H](O)[C@@H](CC)C1 ZINC000261555186 135195605 /nfs/dbraw/zinc/19/56/05/135195605.db2.gz UVWARMZOYDKQER-LPEHRKFASA-N 1 0 214.309 0.343 10 0 BCAERO O=C(COCC1CC1)NC[C@H]1CC[NH2+]C1 ZINC000261555437 135195676 /nfs/dbraw/zinc/19/56/76/135195676.db2.gz UXZYMBJUTHJFJF-JTQLQIEISA-N 1 0 212.293 0.139 10 0 BCAERO CC(C)COCCC(=O)N(C)C1C[NH2+]C1 ZINC000261556237 135196465 /nfs/dbraw/zinc/19/64/65/135196465.db2.gz VTLCHFIIPPHPTG-UHFFFAOYSA-N 1 0 214.309 0.479 10 0 BCAERO COC[C@H]([NH3+])C(=O)N1C[C@@H]2CCCC[C@H]2C1 ZINC000261558541 135199577 /nfs/dbraw/zinc/19/95/77/135199577.db2.gz YKEJCMKQGNGMHZ-DCAQKATOSA-N 1 0 226.320 0.609 10 0 BCAERO CCC(C)(C)C(=O)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000261560408 135201132 /nfs/dbraw/zinc/20/11/32/135201132.db2.gz ZWUGNQPWIQHDEA-DTWKUNHWSA-N 1 0 214.309 0.119 10 0 BCAERO CCC(C)(C)C(=O)NC[C@H]1C[NH2+]C[C@H]1O ZINC000261560410 135201371 /nfs/dbraw/zinc/20/13/71/135201371.db2.gz ZWUGNQPWIQHDEA-RKDXNWHRSA-N 1 0 214.309 0.119 10 0 BCAERO CC(C)CNC(=O)CN1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261560757 135201584 /nfs/dbraw/zinc/20/15/84/135201584.db2.gz UUUGAFZTGKZAJM-NWDGAFQWSA-N 1 0 239.363 0.300 10 0 BCAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)C[C@H]1CCCCO1 ZINC000261561160 135202046 /nfs/dbraw/zinc/20/20/46/135202046.db2.gz AKLNHWRJKSDXDK-GMTAPVOTSA-N 1 0 226.320 0.894 10 0 BCAERO CC(C)NS(=O)(=O)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261562122 135203811 /nfs/dbraw/zinc/20/38/11/135203811.db2.gz BBRYGBLIQGJVEU-SECBINFHSA-N 1 0 249.380 0.288 10 0 BCAERO C[C@H](C[NH3+])C(=O)N1CCC[C@H]1c1cnn(C)c1 ZINC000261565051 135207285 /nfs/dbraw/zinc/20/72/85/135207285.db2.gz YCKKXUMUBZFRMC-KOLCDFICSA-N 1 0 236.319 0.678 10 0 BCAERO C[C@H](C(=O)Nc1ccccc1C(N)=O)C1C[NH2+]C1 ZINC000163851204 135208103 /nfs/dbraw/zinc/20/81/03/135208103.db2.gz OUDNFYPBFZHETQ-QMMMGPOBSA-N 1 0 247.298 0.580 10 0 BCAERO Cc1c(C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cnn1C ZINC000261566506 135208323 /nfs/dbraw/zinc/20/83/23/135208323.db2.gz IFFYCSGNIGZOOB-WCQGTBRESA-N 1 0 248.330 0.538 10 0 BCAERO COCCCC(=O)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261566911 135208644 /nfs/dbraw/zinc/20/86/44/135208644.db2.gz DSMVGWPJWYNTKQ-SNVBAGLBSA-N 1 0 228.336 0.999 10 0 BCAERO C[C@H]1CCN(c2ccnc(N(C)C)n2)C[C@@H]1C[NH3+] ZINC000163965671 135209546 /nfs/dbraw/zinc/20/95/46/135209546.db2.gz WWGWXLUIJMERQE-QWRGUYRKSA-N 1 0 249.362 0.964 10 0 BCAERO C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NC(=O)[C@H]1CCCO1 ZINC000261568416 135210016 /nfs/dbraw/zinc/21/00/16/135210016.db2.gz FONOUPOPVFSGLC-LMLFDSFASA-N 1 0 226.320 0.668 10 0 BCAERO COC[C@H]([NH3+])C(=O)N(C(C)C)C1CCC1 ZINC000261568381 135210182 /nfs/dbraw/zinc/21/01/82/135210182.db2.gz FMUQQJZKLYTLMX-JTQLQIEISA-N 1 0 214.309 0.750 10 0 BCAERO C[C@@H]1CCN(c2nccn3cnnc23)C[C@@H]1C[NH3+] ZINC000163992646 135210411 /nfs/dbraw/zinc/21/04/11/135210411.db2.gz PTJZREKLTRBJGT-ZJUUUORDSA-N 1 0 246.318 0.545 10 0 BCAERO C[C@@H]1[C@@H]([NH3+])CCN1c1ccnc(N(C)C)n1 ZINC000261568857 135211120 /nfs/dbraw/zinc/21/11/20/135211120.db2.gz FWNPFTHIIXBXNG-BDAKNGLRSA-N 1 0 221.308 0.469 10 0 BCAERO CC(C)[C@@H]([NH3+])C(=O)NCCC1CCOCC1 ZINC000261569454 135211767 /nfs/dbraw/zinc/21/17/67/135211767.db2.gz GICACRNGSFIXOC-LLVKDONJSA-N 1 0 228.336 0.903 10 0 BCAERO C[C@H]1SCCN(C(=O)C2C[NH2+]C2)[C@H]1C ZINC000164135304 135213023 /nfs/dbraw/zinc/21/30/23/135213023.db2.gz GARKZDGGEPCOKK-JGVFFNPUSA-N 1 0 214.334 0.558 10 0 BCAERO CCCOCC(=O)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261571287 135213178 /nfs/dbraw/zinc/21/31/78/135213178.db2.gz HKASHPNVOCOKHG-JTQLQIEISA-N 1 0 228.336 0.999 10 0 BCAERO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)CCn3ccnc3)C[C@@H]12 ZINC000261571832 135213900 /nfs/dbraw/zinc/21/39/00/135213900.db2.gz LILGWQKLFSSYKK-IJLUTSLNSA-N 1 0 248.330 0.469 10 0 BCAERO CO[C@H]1CCN(C(=O)[C@H]2CC[C@H]([NH3+])C2)C1 ZINC000261571655 135213962 /nfs/dbraw/zinc/21/39/62/135213962.db2.gz HQWOZWRTZWPMRC-GUBZILKMSA-N 1 0 212.293 0.361 10 0 BCAERO CO[C@@H]1CCN(C(=O)[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000261571656 135214012 /nfs/dbraw/zinc/21/40/12/135214012.db2.gz HQWOZWRTZWPMRC-KXUCPTDWSA-N 1 0 212.293 0.361 10 0 BCAERO Cc1c(C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)cnn1C ZINC000261572161 135214094 /nfs/dbraw/zinc/21/40/94/135214094.db2.gz LMRXDWQYZYPOEI-MNOVXSKESA-N 1 0 248.330 0.410 10 0 BCAERO Cn1ccnc1CN1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261573365 135214625 /nfs/dbraw/zinc/21/46/25/135214625.db2.gz IRWWEWJGNOEXGA-HBNTYKKESA-N 1 0 220.320 0.589 10 0 BCAERO C[C@@H]([NH2+]C1CC1)C(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000261572805 135214885 /nfs/dbraw/zinc/21/48/85/135214885.db2.gz IIDDMFMAMMOHBQ-OPRDCNLKSA-N 1 0 226.320 0.763 10 0 BCAERO C[C@H]1[C@H]([NH3+])CCN1S(=O)(=O)CCC1CCC1 ZINC000261574205 135215513 /nfs/dbraw/zinc/21/55/13/135215513.db2.gz JEVHTDLSKSOCFH-GXSJLCMTSA-N 1 0 246.376 0.928 10 0 BCAERO C(c1nc([C@@H]2CCOC2)no1)[C@@H]1CC[NH2+]C1 ZINC000084380391 135215737 /nfs/dbraw/zinc/21/57/37/135215737.db2.gz OAKJEOZHLVMSQC-DTWKUNHWSA-N 1 0 223.276 0.726 10 0 BCAERO [NH3+]C[C@H]1CCCN1C(=O)C[C@@H]1CCOC1 ZINC000261574116 135215975 /nfs/dbraw/zinc/21/59/75/135215975.db2.gz JBZCEMSWKZEBTA-VHSXEESVSA-N 1 0 212.293 0.363 10 0 BCAERO COC[C@]1(CNc2cnccn2)CCC[NH2+]1 ZINC000261575770 135216774 /nfs/dbraw/zinc/21/67/74/135216774.db2.gz JVUIZMZULNBDFR-LLVKDONJSA-N 1 0 222.292 0.657 10 0 BCAERO COC1CCC([NH2+][C@H]2CCCNC2=O)CC1 ZINC000164254844 135217544 /nfs/dbraw/zinc/21/75/44/135217544.db2.gz OUYXMELAXMUDCU-ILDUYXDCSA-N 1 0 226.320 0.812 10 0 BCAERO CCCNC(=O)CN1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261575881 135217644 /nfs/dbraw/zinc/21/76/44/135217644.db2.gz JZFRBCFCMLCGFK-GARJFASQSA-N 1 0 225.336 0.182 10 0 BCAERO O=C(CC[C@@H]1CCC[NH2+]1)NC[C@@H]1CCOC1 ZINC000261576919 135218732 /nfs/dbraw/zinc/21/87/32/135218732.db2.gz KRGFDLLNXDYCPF-QWRGUYRKSA-N 1 0 226.320 0.671 10 0 BCAERO C[C@H]1[C@H]([NH3+])CCN1c1nnnn1-c1ccccc1 ZINC000261578462 135219991 /nfs/dbraw/zinc/21/99/91/135219991.db2.gz OZZXKNLWJCGDOA-GXSJLCMTSA-N 1 0 244.302 0.588 10 0 BCAERO CCC[C@](C)([NH3+])C(=O)N[C@@H](C)[C@H](CO)SC ZINC000261583374 135224033 /nfs/dbraw/zinc/22/40/33/135224033.db2.gz OYRAMJIFKJNVRT-QXEWZRGKSA-N 1 0 248.392 0.733 10 0 BCAERO C[NH2+][C@@H](C)CNS(=O)(=O)c1c(C)noc1C ZINC000261583309 135224066 /nfs/dbraw/zinc/22/40/66/135224066.db2.gz OXLWQUCNHZHKRF-LURJTMIESA-N 1 0 247.320 0.178 10 0 BCAERO C[C@H]1[C@H]([NH3+])CCN1S(=O)(=O)c1ccccc1 ZINC000261583277 135224223 /nfs/dbraw/zinc/22/42/23/135224223.db2.gz OWZMKADXPZMBAN-GXSJLCMTSA-N 1 0 240.328 0.797 10 0 BCAERO C[C@@H]1[C@@H]([NH3+])CCN1S(=O)(=O)c1ccccc1 ZINC000261583279 135224497 /nfs/dbraw/zinc/22/44/97/135224497.db2.gz OWZMKADXPZMBAN-KOLCDFICSA-N 1 0 240.328 0.797 10 0 BCAERO C[C@@H]([NH3+])CN1CCC[C@@](O)(C(F)(F)F)C1 ZINC000261583378 135224573 /nfs/dbraw/zinc/22/45/73/135224573.db2.gz OYRODCHDQZRWJD-SFYZADRCSA-N 1 0 226.242 0.723 10 0 BCAERO Cc1ccc(C(=O)N2CC[C@H]([NH3+])[C@H]2C)n1C ZINC000261586663 135227704 /nfs/dbraw/zinc/22/77/04/135227704.db2.gz RHEXNTUVJJOLBJ-ZJUUUORDSA-N 1 0 221.304 0.895 10 0 BCAERO CC(C)NC(=O)CN1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261588869 135229365 /nfs/dbraw/zinc/22/93/65/135229365.db2.gz SRUYEKIYTXCDMO-SNVBAGLBSA-N 1 0 227.352 0.570 10 0 BCAERO CC[C@@H]1C[C@H](C)CN1C(=O)[C@H]([NH3+])COC ZINC000261589374 135229870 /nfs/dbraw/zinc/22/98/70/135229870.db2.gz TWLMUAYDIQWIGM-IVZWLZJFSA-N 1 0 214.309 0.607 10 0 BCAERO Cc1noc(CN2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)n1 ZINC000261591142 135231748 /nfs/dbraw/zinc/23/17/48/135231748.db2.gz VCABHQFCMPJOLT-LPEHRKFASA-N 1 0 222.292 0.547 10 0 BCAERO COC(=O)C[C@H](C)NC(=O)C[C@@H]1CC[NH2+]C1 ZINC000261593989 135234554 /nfs/dbraw/zinc/23/45/54/135234554.db2.gz XFTHHWDBDRCMEP-IUCAKERBSA-N 1 0 228.292 0.054 10 0 BCAERO C[C@H]1CN(Cc2c(Cl)cnn2C)C[C@H]1[NH3+] ZINC000261595215 135234849 /nfs/dbraw/zinc/23/48/49/135234849.db2.gz XXVYYJUBQDHNNB-IONNQARKSA-N 1 0 228.727 0.853 10 0 BCAERO C[C@@H]1CN(Cc2c(Cl)cnn2C)C[C@@H]1[NH3+] ZINC000261595211 135234957 /nfs/dbraw/zinc/23/49/57/135234957.db2.gz XXVYYJUBQDHNNB-APPZFPTMSA-N 1 0 228.727 0.853 10 0 BCAERO [NH3+][C@@H]1CC[C@H]2CN(C(=O)c3ccon3)C[C@H]12 ZINC000261595267 135234972 /nfs/dbraw/zinc/23/49/72/135234972.db2.gz YAEDVEUWLFJUPE-XHNCKOQMSA-N 1 0 221.260 0.484 10 0 BCAERO O=C(CCc1ccoc1)N1CC[NH2+]CC1 ZINC000261547168 135240451 /nfs/dbraw/zinc/24/04/51/135240451.db2.gz LYSQILNHODIASU-UHFFFAOYSA-N 1 0 208.261 0.644 10 0 BCAERO C[NH2+][C@H](C)CNC(=O)c1cc(C(C)C)nn1C ZINC000261648501 135242419 /nfs/dbraw/zinc/24/24/19/135242419.db2.gz DVPYEJPEWWIWFE-SECBINFHSA-N 1 0 238.335 0.881 10 0 BCAERO C[C@H]1CCN(C(=O)Cc2cc[nH]n2)[C@H](C[NH3+])C1 ZINC000261651173 135242734 /nfs/dbraw/zinc/24/27/34/135242734.db2.gz BLLLYHLIPSLJQN-ONGXEEELSA-N 1 0 236.319 0.538 10 0 BCAERO [NH3+][C@H](C(=O)N[C@H]1CCCOC1)C1CCOCC1 ZINC000261655495 135243649 /nfs/dbraw/zinc/24/36/49/135243649.db2.gz FJAARVRCKPBYOD-QWRGUYRKSA-N 1 0 242.319 0.036 10 0 BCAERO C[NH2+][C@@H](C)CNC(=O)COc1ccc(O)cc1 ZINC000261691348 135245946 /nfs/dbraw/zinc/24/59/46/135245946.db2.gz INGILEOUHWMZLN-VIFPVBQESA-N 1 0 238.287 0.495 10 0 BCAERO C[C@@H]([NH3+])C(=O)NC[C@H](O)c1cccc(Cl)c1 ZINC000261692601 135246085 /nfs/dbraw/zinc/24/60/85/135246085.db2.gz CCPGYGSEGHBVLS-XCBNKYQSSA-N 1 0 242.706 0.837 10 0 BCAERO CN(Cc1ccccn1)C(=O)C1C[NH2+]C1 ZINC000084409017 135247867 /nfs/dbraw/zinc/24/78/67/135247867.db2.gz PUDCFWZRLGTURU-UHFFFAOYSA-N 1 0 205.261 0.259 10 0 BCAERO CNC(=O)[C@@H]1CCCN1C[C@]1(C)CC[NH2+]C1 ZINC000261746150 135249030 /nfs/dbraw/zinc/24/90/30/135249030.db2.gz JCGRVUJUUQGFAZ-CMPLNLGQSA-N 1 0 225.336 0.196 10 0 BCAERO C[NH2+][C@@H](C)CNC(=O)CN1CCCCCC1=O ZINC000261781470 135252368 /nfs/dbraw/zinc/25/23/68/135252368.db2.gz QDFFSVLSPGTGFA-JTQLQIEISA-N 1 0 241.335 0.113 10 0 BCAERO COC(=O)[C@H]1CCN(CC(C)(C)[NH3+])C[C@@H]1C ZINC000261787819 135252782 /nfs/dbraw/zinc/25/27/82/135252782.db2.gz FZCRIQYIYOKVQG-UWVGGRQHSA-N 1 0 228.336 0.855 10 0 BCAERO C[C@@H]1[C@H](C)OCCN1C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261797703 135253567 /nfs/dbraw/zinc/25/35/67/135253567.db2.gz MKUJGEZIWHFSLP-WRWGMCAJSA-N 1 0 240.347 0.997 10 0 BCAERO C[C@H](NC(=O)[C@@H]1CCC[C@@H]1C[NH3+])c1ncon1 ZINC000261805785 135254182 /nfs/dbraw/zinc/25/41/82/135254182.db2.gz MXEBVDCQBAOMOH-DJLDLDEBSA-N 1 0 238.291 0.622 10 0 BCAERO CCC(=O)N[C@H]1CCCN(C(=O)C[C@@H](C)[NH3+])C1 ZINC000261803884 135254550 /nfs/dbraw/zinc/25/45/50/135254550.db2.gz MUXFKFSUUYGZOQ-ZJUUUORDSA-N 1 0 241.335 0.241 10 0 BCAERO C[C@@H]1[NH2+]CCN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])[C@H]1C ZINC000261805846 135254610 /nfs/dbraw/zinc/25/46/10/135254610.db2.gz MYZPKGSIKPQSKM-NNYUYHANSA-N 1 0 239.363 0.570 10 0 BCAERO CC(C)[C@@H]1OCC[C@@H]1CNC(=O)C[C@H](C)[NH3+] ZINC000261818429 135255103 /nfs/dbraw/zinc/25/51/03/135255103.db2.gz MGVIVHSXGKEIOP-UMNHJUIQSA-N 1 0 228.336 0.901 10 0 BCAERO Cc1nn(C)c(C)c1CCNC(=O)C[C@@H](C)[NH3+] ZINC000261852210 135256931 /nfs/dbraw/zinc/25/69/31/135256931.db2.gz OWDDPWDBOAJRPZ-MRVPVSSYSA-N 1 0 238.335 0.433 10 0 BCAERO Cn1ccs/c1=N\C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261881259 135259777 /nfs/dbraw/zinc/25/97/77/135259777.db2.gz ZELAVQADHSBHLR-WCPWRMLGSA-N 1 0 239.344 0.889 10 0 BCAERO [NH3+][C@@H]1CCC[C@H]1CC(=O)NC[C@H]1CCOC1 ZINC000261886362 135260357 /nfs/dbraw/zinc/26/03/57/135260357.db2.gz ZUILJHNRFJIWBV-OUAUKWLOSA-N 1 0 226.320 0.657 10 0 BCAERO CCCC1(C(=O)NC[C@@H]2C[NH2+]C[C@H]2O)CC1 ZINC000261900642 135261968 /nfs/dbraw/zinc/26/19/68/135261968.db2.gz AFANPYONVYAAQF-VHSXEESVSA-N 1 0 226.320 0.263 10 0 BCAERO C[C@@H]1CCN(C[C@@H]2CCC[NH2+]C2)[C@@H](C(N)=O)C1 ZINC000261948631 135265345 /nfs/dbraw/zinc/26/53/45/135265345.db2.gz NPXQPWDPPJFLKZ-IJLUTSLNSA-N 1 0 239.363 0.572 10 0 BCAERO C[C@@H]1[C@@H](C)CCN1C(=O)C1(C[NH3+])CCOCC1 ZINC000261955633 135265750 /nfs/dbraw/zinc/26/57/50/135265750.db2.gz OVJWTDVIGFJJEC-WDEREUQCSA-N 1 0 240.347 0.999 10 0 BCAERO C[C@H]1OCCN[C@@H]1C(=O)NC1CCCC1 ZINC000262030443 135273562 /nfs/dbraw/zinc/27/35/62/135273562.db2.gz XLUSYAHKYADAHN-SCZZXKLOSA-N 1 0 212.293 0.422 10 0 BCAERO O=C1CN(C[C@H]2CCC[NH2+]C2)CN1C1CC1 ZINC000262037088 135275000 /nfs/dbraw/zinc/27/50/00/135275000.db2.gz XVLLHMQFEGXJFW-JTQLQIEISA-N 1 0 223.320 0.250 10 0 BCAERO CCC(CC)(NC(=O)[C@@H](C)C1C[NH2+]C1)C(N)=O ZINC000262049953 135275794 /nfs/dbraw/zinc/27/57/94/135275794.db2.gz HGHNQSCYPDDLSM-QMMMGPOBSA-N 1 0 241.335 0.002 10 0 BCAERO O=C(CCc1ccccc1)NC[C@H]1C[NH2+]C[C@H]1O ZINC000262087709 135277469 /nfs/dbraw/zinc/27/74/69/135277469.db2.gz CULDXMYTLUZGLE-CHWSQXEVSA-N 1 0 248.326 0.316 10 0 BCAERO Cc1cccc(C(=O)NC[C@H]2C[NH2+]C[C@@H]2O)c1 ZINC000262078596 135277534 /nfs/dbraw/zinc/27/75/34/135277534.db2.gz CGTJRNHCHHFEKA-NEPJUHHUSA-N 1 0 234.299 0.305 10 0 BCAERO O=C(NCc1cscn1)[C@H]1C[C@H](F)C[NH2+]1 ZINC000262087888 135278073 /nfs/dbraw/zinc/27/80/73/135278073.db2.gz GJZGJJMUYUJFCI-POYBYMJQSA-N 1 0 229.280 0.459 10 0 BCAERO C[C@H]1CN(Cc2cc(C(N)=O)cs2)C[C@H]1[NH3+] ZINC000262127026 135280657 /nfs/dbraw/zinc/28/06/57/135280657.db2.gz XUYPEZGJLVBMJV-OIBJUYFYSA-N 1 0 239.344 0.626 10 0 BCAERO C[C@@H]([NH3+])C(=O)N1CCC(C2(C)OCCO2)CC1 ZINC000262154706 135282250 /nfs/dbraw/zinc/28/22/50/135282250.db2.gz SIFFCKNGEWFEIW-SECBINFHSA-N 1 0 242.319 0.335 10 0 BCAERO CO[C@@H]1[C@H](C)[C@H](NC(=O)[C@H]2CCC[NH2+]2)C1(C)C ZINC000262159497 135282927 /nfs/dbraw/zinc/28/29/27/135282927.db2.gz UQXIGIYCSNCGHS-CHWFTXMASA-N 1 0 240.347 0.914 10 0 BCAERO CO[C@@H]1[C@H](C)[C@H](NC(=O)[C@@H]2CCC[NH2+]2)C1(C)C ZINC000262160726 135283116 /nfs/dbraw/zinc/28/31/16/135283116.db2.gz UQXIGIYCSNCGHS-VPOLOUISSA-N 1 0 240.347 0.914 10 0 BCAERO CCc1nc(CNC[C@H]2C[NH2+]C[C@H]2O)cs1 ZINC000262188954 135284859 /nfs/dbraw/zinc/28/48/59/135284859.db2.gz YEVIBOPIGLRTDW-WCBMZHEXSA-N 1 0 241.360 0.375 10 0 BCAERO CCc1nc(CNC[C@@H]2C[NH2+]C[C@H]2O)cs1 ZINC000262188951 135284888 /nfs/dbraw/zinc/28/48/88/135284888.db2.gz YEVIBOPIGLRTDW-PSASIEDQSA-N 1 0 241.360 0.375 10 0 BCAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)c1ccccc1F ZINC000262215457 135285456 /nfs/dbraw/zinc/28/54/56/135285456.db2.gz JCBGKKRWMONWJC-KWQFWETISA-N 1 0 238.262 0.136 10 0 BCAERO COC[C@H]([NH3+])C(=O)Nc1cnn(CC(C)C)c1 ZINC000262248589 135288316 /nfs/dbraw/zinc/28/83/16/135288316.db2.gz IJIPVZLVPSTFOY-JTQLQIEISA-N 1 0 240.307 0.451 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N1CCN(C2CCC2)CC1 ZINC000262261265 135288368 /nfs/dbraw/zinc/28/83/68/135288368.db2.gz RHEILMKVYQLWIW-LBPRGKRZSA-N 1 0 239.363 0.811 10 0 BCAERO Cc1ccc(C(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)c(C)n1 ZINC000262273245 135288634 /nfs/dbraw/zinc/28/86/34/135288634.db2.gz NEIKQEQXZBSXDY-JQWIXIFHSA-N 1 0 249.314 0.009 10 0 BCAERO O=C(NC[C@H](CCO)c1ccccc1)C1C[NH2+]C1 ZINC000262264845 135289201 /nfs/dbraw/zinc/28/92/01/135289201.db2.gz RUTLAMVQCLNXKK-LBPRGKRZSA-N 1 0 248.326 0.488 10 0 BCAERO COC[C@H]([NH3+])C(=O)N(C)CCC1CCOCC1 ZINC000262283454 135289947 /nfs/dbraw/zinc/28/99/47/135289947.db2.gz MBDFNWONDVFNIL-NSHDSACASA-N 1 0 244.335 0.235 10 0 BCAERO O=C(CCC(F)(F)F)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000262212383 135290524 /nfs/dbraw/zinc/29/05/24/135290524.db2.gz IXGMWMRWYSPUKT-BQBZGAKWSA-N 1 0 240.225 0.025 10 0 BCAERO CC1(C(=O)NC[C@H]2C[NH2+]C[C@@H]2O)CCCC1 ZINC000262287686 135290550 /nfs/dbraw/zinc/29/05/50/135290550.db2.gz OKBDXFCKYZIFFS-ZJUUUORDSA-N 1 0 226.320 0.263 10 0 BCAERO O=C(NC[C@H]1C[NH2+]C[C@H]1O)C1CCCCC1 ZINC000262286702 135290757 /nfs/dbraw/zinc/29/07/57/135290757.db2.gz OJLDGMVOTRKDEH-GHMZBOCLSA-N 1 0 226.320 0.263 10 0 BCAERO CCC[C@H]1CCCN(C(=O)[C@H]([NH3+])COC)C1 ZINC000262288131 135290778 /nfs/dbraw/zinc/29/07/78/135290778.db2.gz MPCHFSXBUUWQAP-WDEREUQCSA-N 1 0 228.336 0.999 10 0 BCAERO COC[C@@H]([NH3+])C(=O)Nc1ccc(N(C)C)cn1 ZINC000262301464 135291654 /nfs/dbraw/zinc/29/16/54/135291654.db2.gz NYOQNBFUTPVXOX-SECBINFHSA-N 1 0 238.291 0.060 10 0 BCAERO Cc1ccc(CC(=O)NC[C@H]2C[NH2+]C[C@H]2O)cc1 ZINC000262305097 135292304 /nfs/dbraw/zinc/29/23/04/135292304.db2.gz PZXDTWHRPKDHEQ-CHWSQXEVSA-N 1 0 248.326 0.234 10 0 BCAERO O=C(NC[C@H]1C[NH2+]C[C@H]1O)C1CCCCCC1 ZINC000262326317 135292867 /nfs/dbraw/zinc/29/28/67/135292867.db2.gz RUQHDPKRIMHDIJ-VXGBXAGGSA-N 1 0 240.347 0.653 10 0 BCAERO CC[C@H]1CN(C(=O)[C@H]2CC[NH2+][C@@H](C)C2)C[C@@H]1O ZINC000262328793 135293171 /nfs/dbraw/zinc/29/31/71/135293171.db2.gz DRLSJTHMGXHHBX-BJDJZHNGSA-N 1 0 240.347 0.604 10 0 BCAERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)C1CCCCCC1 ZINC000262326313 135293294 /nfs/dbraw/zinc/29/32/94/135293294.db2.gz RUQHDPKRIMHDIJ-NEPJUHHUSA-N 1 0 240.347 0.653 10 0 BCAERO Cc1cscc1C(=O)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000262348155 135294739 /nfs/dbraw/zinc/29/47/39/135294739.db2.gz UGNIRHTUOWASLU-WCBMZHEXSA-N 1 0 240.328 0.367 10 0 BCAERO COC[C@H]([NH3+])C(=O)NC[C@H](O)C1CCCCC1 ZINC000262360674 135297013 /nfs/dbraw/zinc/29/70/13/135297013.db2.gz VNNNSGNRGUDHRJ-QWRGUYRKSA-N 1 0 244.335 0.018 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N1Cc2ccccc2C[C@H]1C ZINC000262488631 135302734 /nfs/dbraw/zinc/30/27/34/135302734.db2.gz HIYVNRBIYLXMGT-ZWNOBZJWSA-N 1 0 248.326 0.934 10 0 BCAERO Cc1cccc2[nH]c(CCC(=O)NCC[NH3+])nc21 ZINC000262509830 135303430 /nfs/dbraw/zinc/30/34/30/135303430.db2.gz MZLFAYYJTMNNKI-UHFFFAOYSA-N 1 0 246.314 0.879 10 0 BCAERO Cc1ncc(NC(=O)[C@H](C)C2C[NH2+]C2)cn1 ZINC000262554108 135305735 /nfs/dbraw/zinc/30/57/35/135305735.db2.gz PEBDGJXYCZWFKN-SSDOTTSWSA-N 1 0 220.276 0.579 10 0 BCAERO CCC[C@](C)([NH3+])C(=O)N1C[C@H](O)[C@@H](CC)C1 ZINC000262569605 135306123 /nfs/dbraw/zinc/30/61/23/135306123.db2.gz MNPNTZKHVMFQJS-NHCYSSNCSA-N 1 0 228.336 0.733 10 0 BCAERO CCO[C@@H]1C[C@@H]1C(=O)N(C)CC(C)(C)C[NH3+] ZINC000262592406 135306960 /nfs/dbraw/zinc/30/69/60/135306960.db2.gz UQIGOQDAKDIBHZ-VHSXEESVSA-N 1 0 228.336 0.855 10 0 BCAERO C[N@H+](CC1CC(O)C1)[C@@H]1CCCC[C@@H]1O ZINC000084452636 135308793 /nfs/dbraw/zinc/30/87/93/135308793.db2.gz DEIGYVQDNIAGLQ-HCWSGVFWSA-N 1 0 213.321 0.993 10 0 BCAERO NCC(F)(F)CNC(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000262689184 135314173 /nfs/dbraw/zinc/31/41/73/135314173.db2.gz FLOOSYBCKKYXHG-YUMQZZPRSA-N 1 0 235.278 0.214 10 0 BCAERO Nc1ccc2c(c1)CCC[C@H]2NC(=O)C1C[NH2+]C1 ZINC000263098805 135332865 /nfs/dbraw/zinc/33/28/65/135332865.db2.gz NXFYURGSSSYFGP-CYBMUJFWSA-N 1 0 245.326 0.982 10 0 BCAERO COC[C@H](C)c1nc([C@H]2C[NH2+]CCN2C)no1 ZINC000263119807 135334116 /nfs/dbraw/zinc/33/41/16/135334116.db2.gz AVFQZAODIAXEON-DTWKUNHWSA-N 1 0 240.307 0.396 10 0 BCAERO Cc1nc(C)c(CNC[C@@H]2C[NH2+]C[C@@H]2O)s1 ZINC000263128142 135334574 /nfs/dbraw/zinc/33/45/74/135334574.db2.gz BLJCZWHDXRDNPH-UWVGGRQHSA-N 1 0 241.360 0.430 10 0 BCAERO Cc1ccc(CNC[C@H]2C[NH2+]C[C@H]2O)nc1 ZINC000263166170 135336372 /nfs/dbraw/zinc/33/63/72/135336372.db2.gz FFQXTXHPBNOWQO-CMPLNLGQSA-N 1 0 221.304 0.060 10 0 BCAERO CC(C)n1nccc1CNC[C@@H]1C[NH2+]C[C@H]1O ZINC000263168219 135336925 /nfs/dbraw/zinc/33/69/25/135336925.db2.gz FKSFTOGILZWBRO-ZYHUDNBSSA-N 1 0 238.335 0.134 10 0 BCAERO Cc1ccc(CNC[C@H]2C[NH2+]C[C@H]2O)cn1 ZINC000263182083 135337863 /nfs/dbraw/zinc/33/78/63/135337863.db2.gz GWMKLNWEEYYIMI-NWDGAFQWSA-N 1 0 221.304 0.060 10 0 BCAERO CN1CC[NH2+]C[C@H]1c1noc(CC2CCC2)n1 ZINC000263188848 135338491 /nfs/dbraw/zinc/33/84/91/135338491.db2.gz HPDYRJMFWCPIGD-JTQLQIEISA-N 1 0 236.319 0.988 10 0 BCAERO O[C@H]1C[NH2+]C[C@@H]1CNCc1ccc(F)cc1 ZINC000263224750 135341075 /nfs/dbraw/zinc/34/10/75/135341075.db2.gz MQAYMPPGMXEZHU-JQWIXIFHSA-N 1 0 224.279 0.496 10 0 BCAERO Cn1nccc1-c1nc([C@H]2C[NH2+]CCN2C)no1 ZINC000263229074 135341258 /nfs/dbraw/zinc/34/12/58/135341258.db2.gz NEQVMQKOJVCZAV-SECBINFHSA-N 1 0 248.290 0.046 10 0 BCAERO O[C@H]1C[NH2+]C[C@H]1CNC/C=C/c1ccccc1 ZINC000263242349 135341591 /nfs/dbraw/zinc/34/15/91/135341591.db2.gz OTRXARVXCOVGFO-KMEUXCNSSA-N 1 0 232.327 0.870 10 0 BCAERO CN1CC[NH2+]C[C@H]1c1noc(CC2CC2)n1 ZINC000263235372 135341948 /nfs/dbraw/zinc/34/19/48/135341948.db2.gz NZKMWIDXWLUTDC-VIFPVBQESA-N 1 0 222.292 0.598 10 0 BCAERO O[C@@H]1C[NH2+]C[C@@H]1CNCc1c(F)cccc1F ZINC000263246642 135343033 /nfs/dbraw/zinc/34/30/33/135343033.db2.gz PIVJYVNCNRXSDA-QPUJVOFHSA-N 1 0 242.269 0.635 10 0 BCAERO COc1cccc(CCCNC(=O)C2C[NH2+]C2)c1 ZINC000263277406 135344454 /nfs/dbraw/zinc/34/44/54/135344454.db2.gz JBNLHXZPZCRTOD-UHFFFAOYSA-N 1 0 248.326 0.963 10 0 BCAERO CO[C@H](C)c1nc([C@H]2C[NH2+]CCN2C)no1 ZINC000263281683 135344564 /nfs/dbraw/zinc/34/45/64/135344564.db2.gz UIWAVAMXIIZDMP-HTQZYQBOSA-N 1 0 226.280 0.353 10 0 BCAERO CC(C)[C@@H]1OCCC[C@H]1CNC(=O)C1C[NH2+]C1 ZINC000263295774 135345201 /nfs/dbraw/zinc/34/52/01/135345201.db2.gz MHUCWBJNDMQWSN-JQWIXIFHSA-N 1 0 240.347 0.773 10 0 BCAERO Cc1ccc(CNC[C@H]2C[NH2+]C[C@H]2O)cc1F ZINC000263306142 135345673 /nfs/dbraw/zinc/34/56/73/135345673.db2.gz XWZQZVYPAUHCPB-WCQYABFASA-N 1 0 238.306 0.804 10 0 BCAERO C[C@H]1C[C@H](O)C[N@H+](Cc2ccc(C(N)=O)cc2)C1 ZINC000334746887 135403098 /nfs/dbraw/zinc/40/30/98/135403098.db2.gz SGOJXZLPDLCZMM-GWCFXTLKSA-N 1 0 248.326 0.988 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1cccnc1 ZINC000082558739 135438843 /nfs/dbraw/zinc/43/88/43/135438843.db2.gz GIIALYSHLZRRFX-PSASIEDQSA-N 1 0 205.261 0.876 10 0 BCAERO Cn1cc(NC(=O)[C@@H]2CCC[C@H]2[NH3+])cn1 ZINC000082920689 135442416 /nfs/dbraw/zinc/44/24/16/135442416.db2.gz BTVPOWAJVQCXBY-RKDXNWHRSA-N 1 0 208.265 0.486 10 0 BCAERO [NH3+][C@@H]1CCC[C@H]1C(=O)NCc1ccncc1 ZINC000082920395 135442501 /nfs/dbraw/zinc/44/25/01/135442501.db2.gz SGTAECJUDMSIFV-GHMZBOCLSA-N 1 0 219.288 0.825 10 0 BCAERO C(c1nc([C@H]2CCOC2)no1)[C@H]1CCC[NH2+]1 ZINC000083715622 135455860 /nfs/dbraw/zinc/45/58/60/135455860.db2.gz IIJADRJPPZAMGL-DTWKUNHWSA-N 1 0 223.276 0.868 10 0 BCAERO CC[C@@H]([NH3+])CNc1cc(C)nc2ncnn21 ZINC000084718382 135474526 /nfs/dbraw/zinc/47/45/26/135474526.db2.gz VVHATHGMEUGNHU-MRVPVSSYSA-N 1 0 220.280 0.582 10 0 BCAERO COC1CCN(C(=O)[C@@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000085010073 135477619 /nfs/dbraw/zinc/47/76/19/135477619.db2.gz UFBDQBCSRDPUFL-NXEZZACHSA-N 1 0 226.320 0.751 10 0 BCAERO [NH3+][C@H]1CCC[C@H]1C(=O)NCCc1ccccn1 ZINC000085357324 135482109 /nfs/dbraw/zinc/48/21/09/135482109.db2.gz NGJTVTGXQUVRGE-NEPJUHHUSA-N 1 0 233.315 0.868 10 0 BCAERO CO[C@@H]1CN(C(=O)[C@H]2CCC[NH2+]C2)CC[C@H]1C ZINC000230243840 135526364 /nfs/dbraw/zinc/52/63/64/135526364.db2.gz IXBRPWKTYXFKMA-GRYCIOLGSA-N 1 0 240.347 0.869 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)Cc1cccnc1 ZINC000089090953 135528229 /nfs/dbraw/zinc/52/82/29/135528229.db2.gz MGUCXSAOUFYNQC-NWDGAFQWSA-N 1 0 233.315 0.868 10 0 BCAERO Cc1nnc2c(N[C@H]3CCC[C@H]3C[NH3+])nccn12 ZINC000089092201 135528704 /nfs/dbraw/zinc/52/87/04/135528704.db2.gz NHIMEJJFDASVDJ-UWVGGRQHSA-N 1 0 246.318 0.972 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@@H]1Nc1nccn2cnnc12 ZINC000089105832 135529769 /nfs/dbraw/zinc/52/97/69/135529769.db2.gz OWJCJCFPOHVFPI-IUCAKERBSA-N 1 0 232.291 0.664 10 0 BCAERO C[C@@H]1CO[C@@H](C)CN1C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089450759 135535124 /nfs/dbraw/zinc/53/51/24/135535124.db2.gz XTSFAFRLFUJMIC-WRWGMCAJSA-N 1 0 240.347 0.997 10 0 BCAERO C[C@H]([NH3+])CCC(=O)/N=c1/sccn1C ZINC000193289896 135592344 /nfs/dbraw/zinc/59/23/44/135592344.db2.gz JHLOQAYKIBBAFP-MCTJWZARSA-N 1 0 213.306 0.641 10 0 BCAERO COCCOCCC(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000193554589 135599559 /nfs/dbraw/zinc/59/95/59/135599559.db2.gz XBWTWQQCNFNZNZ-WDEREUQCSA-N 1 0 244.335 0.296 10 0 BCAERO COC1(CO)CC[NH+](CC(C)(C)O)CC1 ZINC000348185142 136044444 /nfs/dbraw/zinc/04/44/44/136044444.db2.gz QAWHYFNJJUDGSH-UHFFFAOYSA-N 1 0 217.309 0.231 10 0 BCAERO Cc1cc(C[NH2+][C@H]2CCO[C@@H]2C)nn1C ZINC000348189035 136048647 /nfs/dbraw/zinc/04/86/47/136048647.db2.gz MVTUTDAOHMSFOQ-KOLCDFICSA-N 1 0 209.293 0.996 10 0 BCAERO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)NCC1CC1 ZINC000335594839 136104480 /nfs/dbraw/zinc/10/44/80/136104480.db2.gz BPOIMAFRMKBGED-WPRPVWTQSA-N 1 0 211.309 0.836 10 0 BCAERO C[C@@H]1C[C@@H](O)C[N@H+](CCCCCO)C1 ZINC000401569158 533673951 /nfs/dbraw/zinc/67/39/51/533673951.db2.gz CYLAMBSLWCBLKB-GHMZBOCLSA-N 1 0 201.310 0.852 10 0 BCAERO COCCCNC(=O)C[C@H]1CCC[NH2+]C1 ZINC000054290685 322855960 /nfs/dbraw/zinc/85/59/60/322855960.db2.gz BOGHORNKYWZSAQ-SNVBAGLBSA-N 1 0 214.309 0.529 10 0 BCAERO CC[C@H]1C[N@H+](CCCCO)CCN1CCOC ZINC000105914393 397786041 /nfs/dbraw/zinc/78/60/41/397786041.db2.gz HKMXLTFLTOZAPV-ZDUSSCGKSA-N 1 0 244.379 0.802 10 0 BCAERO O=C(N[C@@H]1CCCOC1)[C@H]1C[NH2+]CCC1(F)F ZINC000643993082 397744744 /nfs/dbraw/zinc/74/47/44/397744744.db2.gz JCIZLJKTCUQMEQ-RKDXNWHRSA-N 1 0 248.273 0.526 10 0 BCAERO Nc1n[nH]c(SC2CCC([NH3+])CC2)n1 ZINC000055143833 397814687 /nfs/dbraw/zinc/81/46/87/397814687.db2.gz LZFVCEMJYULMJN-UHFFFAOYSA-N 1 0 213.310 0.749 10 0 BCAERO C[C@@H]1C[C@H](O)C[N@@H+]1C[C@H]1CCOCO1 ZINC000306635567 397964784 /nfs/dbraw/zinc/96/47/84/397964784.db2.gz LIEYDZCWSNPCQX-KXUCPTDWSA-N 1 0 201.266 0.205 10 0 BCAERO [NH3+]CC1(N2CCC[C@@H](F)C2)CSC1 ZINC000575460610 397944162 /nfs/dbraw/zinc/94/41/62/397944162.db2.gz IICODYYDEAVUHA-MRVPVSSYSA-N 1 0 204.314 0.865 10 0 BCAERO O=S1CCC([NH2+][C@H]2CC[C@@H]2O)CC1 ZINC000575463793 397946956 /nfs/dbraw/zinc/94/69/56/397946956.db2.gz DAKCJZSRLQNOKE-QTOPBTPASA-N 1 0 203.307 0.010 10 0 BCAERO [NH3+][C@@H]1CCO[C@@H]1[C@@H](O)c1cnsc1 ZINC000575464582 397950498 /nfs/dbraw/zinc/95/04/98/397950498.db2.gz QOUWOYHCZKPRPQ-CSMHCCOUSA-N 1 0 200.263 0.293 10 0 BCAERO CCCC[C@@H](C[NH3+])NC(=O)[C@H](C)COC ZINC000162805014 397958329 /nfs/dbraw/zinc/95/83/29/397958329.db2.gz VSSGHQQCZTYHRF-ZJUUUORDSA-N 1 0 216.325 0.903 10 0 BCAERO [NH3+]CC[C@H]1CN(CCO)c2ccccc2N1 ZINC000616684016 397925954 /nfs/dbraw/zinc/92/59/54/397925954.db2.gz WWMVRFLTFYGGGH-JTQLQIEISA-N 1 0 221.304 0.628 10 0 BCAERO COC(=O)CN1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000082699510 397997078 /nfs/dbraw/zinc/99/70/78/397997078.db2.gz NDIZXCCHANHPAX-VHSXEESVSA-N 1 0 212.293 0.328 10 0 BCAERO CO[C@]1(C[NH2+]CCn2cc(C)cn2)CCOC1 ZINC000383231313 398012205 /nfs/dbraw/zinc/01/22/05/398012205.db2.gz BJKJCZUGDRBXBF-LBPRGKRZSA-N 1 0 239.319 0.587 10 0 BCAERO OCCN1CC[NH+](C[C@@H]2CCC[C@H](O)C2)CC1 ZINC000383430402 398019325 /nfs/dbraw/zinc/01/93/25/398019325.db2.gz BQDVDKHMUBZYRC-OLZOCXBDSA-N 1 0 242.363 0.147 10 0 BCAERO CC(=O)NCCCNC(=O)[C@H]1CCC[NH2+][C@H]1C ZINC000383454652 398020191 /nfs/dbraw/zinc/02/01/91/398020191.db2.gz DMXZUMRDCRKFFK-ONGXEEELSA-N 1 0 241.335 0.017 10 0 BCAERO C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCCO2)C1 ZINC000122308785 398022122 /nfs/dbraw/zinc/02/21/22/398022122.db2.gz GXNHUXAKBAPQAD-MNOVXSKESA-N 1 0 226.320 0.718 10 0 BCAERO CCCCOC[C@@H](O)C[NH2+]C1COCCOC1 ZINC000383900312 398047986 /nfs/dbraw/zinc/04/79/86/398047986.db2.gz WMMVCRULVQOOOB-LBPRGKRZSA-N 1 0 247.335 0.169 10 0 BCAERO CC(C)OC[C@H](O)C[NH2+]CC[C@@H]1CCCO1 ZINC000038096707 398024875 /nfs/dbraw/zinc/02/48/75/398024875.db2.gz VGOHCNUEGMULAD-NEPJUHHUSA-N 1 0 231.336 0.931 10 0 BCAERO C[NH2+][C@H](C)C(=O)Nc1cc(C(N)=O)ccc1F ZINC000054073672 398025063 /nfs/dbraw/zinc/02/50/63/398025063.db2.gz VFIQARXNWNJMLD-ZCFIWIBFSA-N 1 0 239.250 0.471 10 0 BCAERO CCc1noc(CN2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)n1 ZINC000383693714 398033970 /nfs/dbraw/zinc/03/39/70/398033970.db2.gz QYJKMVKFAZHNQM-GUBZILKMSA-N 1 0 236.319 0.801 10 0 BCAERO Cn1nccc1C[NH2+]C[C@@H]1CCC[C@H]1O ZINC000084230744 398039501 /nfs/dbraw/zinc/03/95/01/398039501.db2.gz OUVRERVFCPTFRW-GXSJLCMTSA-N 1 0 209.293 0.671 10 0 BCAERO Cn1cc(CCC[NH2+]CC2CC(O)C2)cn1 ZINC000314817131 397975922 /nfs/dbraw/zinc/97/59/22/397975922.db2.gz ZCOZGJQDFIUJIR-UHFFFAOYSA-N 1 0 223.320 0.713 10 0 BCAERO CC[C@H](CNC(=O)OC(C)(C)C)[NH2+]CCN ZINC000307079277 397977002 /nfs/dbraw/zinc/97/70/02/397977002.db2.gz NONDAWYBBQOBMO-SECBINFHSA-N 1 0 231.340 0.838 10 0 BCAERO OC[C@H]1C[C@@H](O)CN1Cc1ncccc1Cl ZINC000528425406 397982140 /nfs/dbraw/zinc/98/21/40/397982140.db2.gz BIDIGFBDZGQIJB-RKDXNWHRSA-N 1 0 242.706 0.663 10 0 BCAERO CC(C)n1nnnc1CN1CCC(C)([NH3+])CC1 ZINC000647924248 397988167 /nfs/dbraw/zinc/98/81/67/397988167.db2.gz RNMWMDFZIWZEBX-UHFFFAOYSA-N 1 0 238.339 0.567 10 0 BCAERO Cc1nnsc1C[C@@]1([NH3+])CCO[C@H]1C ZINC000307142461 397988689 /nfs/dbraw/zinc/98/86/89/397988689.db2.gz DXSJPNGCOJTEPS-CBAPKCEASA-N 1 0 213.306 0.895 10 0 BCAERO CN(C[C@@H]1CCOC1)C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000398827035 398063067 /nfs/dbraw/zinc/06/30/67/398063067.db2.gz GDTCZKNFLBXEIG-RYUDHWBXSA-N 1 0 240.347 0.871 10 0 BCAERO CCC[C@H](NC(=O)[C@H]1CCC[NH2+][C@H]1C)C(N)=O ZINC000384488091 398093540 /nfs/dbraw/zinc/09/35/40/398093540.db2.gz RWYDQZBFOWSJEG-GUBZILKMSA-N 1 0 241.335 0.145 10 0 BCAERO [NH3+]CC1(CCNc2ncnc3[nH]ccc32)CC1 ZINC000650301218 398078613 /nfs/dbraw/zinc/07/86/13/398078613.db2.gz HEOKVPOXNOFAIK-UHFFFAOYSA-N 1 0 231.303 0.921 10 0 BCAERO O[C@H]1COCC[C@@H]1[NH2+]Cc1ccns1 ZINC000630073349 398094470 /nfs/dbraw/zinc/09/44/70/398094470.db2.gz DPMIHIYAFHJVJY-IUCAKERBSA-N 1 0 214.290 0.383 10 0 BCAERO CC(C)(O)C[N@@H+]1CCO[C@@]2(CCOC2)C1 ZINC000185133112 398090026 /nfs/dbraw/zinc/09/00/26/398090026.db2.gz PKSDWNNJZNVMLL-NSHDSACASA-N 1 0 215.293 0.249 10 0 BCAERO CC[C@@H]1C[N@H+](C[C@](C)(O)CC)C[C@@H]1O ZINC000400031190 398058281 /nfs/dbraw/zinc/05/82/81/398058281.db2.gz HJEMIILRDWSSOF-OUAUKWLOSA-N 1 0 201.310 0.850 10 0 BCAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1CCCO ZINC000245416879 398115511 /nfs/dbraw/zinc/11/55/11/398115511.db2.gz FNYYGLCAASBDGJ-NEPJUHHUSA-N 1 0 212.337 0.927 10 0 BCAERO C[NH+](C)[C@H]1CCN(C[C@@](C)(O)C(F)(F)F)C1 ZINC000309748301 398121803 /nfs/dbraw/zinc/12/18/03/398121803.db2.gz JUKXQPXYACZDBN-DTWKUNHWSA-N 1 0 240.269 0.936 10 0 BCAERO C/C=C\CNC(=O)C1(C[NH3+])CCOCC1 ZINC000385090416 398132687 /nfs/dbraw/zinc/13/26/87/398132687.db2.gz XWUMCCLYMROJSF-IHWYPQMZSA-N 1 0 212.293 0.434 10 0 BCAERO CC(C)NC(=O)CN1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000051360058 167051810 /nfs/dbraw/zinc/05/18/10/167051810.db2.gz QCZXIENLAUOZPP-NWDGAFQWSA-N 1 0 239.363 0.727 10 0 BCAERO CC(C)NC(=O)CNC(=O)[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000036782047 167055920 /nfs/dbraw/zinc/05/59/20/167055920.db2.gz GKACGTIOZTUMDW-ZJUUUORDSA-N 1 0 241.335 0.015 10 0 BCAERO CC(C)NC(=O)CNCC[C@H]1CCCC[N@@H+]1C ZINC000049900812 167057588 /nfs/dbraw/zinc/05/75/88/167057588.db2.gz VRTWDQLKNIPPLL-GFCCVEGCSA-N 1 0 241.379 0.975 10 0 BCAERO COc1nc(C)cc(NC[C@H]2CCC[NH2+]2)n1 ZINC000257641283 322872967 /nfs/dbraw/zinc/87/29/67/322872967.db2.gz CVLNKVVXWQVMQQ-SECBINFHSA-N 1 0 222.292 0.958 10 0 BCAERO CC(C)[NH2+]CCN1C(=O)NC(C)(C)C1=O ZINC000042410156 167104184 /nfs/dbraw/zinc/10/41/84/167104184.db2.gz NXUGZNHMOHYMEY-UHFFFAOYSA-N 1 0 213.281 0.315 10 0 BCAERO CC(C)[NH2+]C[C@H](O)COc1ccccc1CO ZINC000028763964 167114606 /nfs/dbraw/zinc/11/46/06/167114606.db2.gz WGJVNJGGPWONPI-LBPRGKRZSA-N 1 0 239.315 0.917 10 0 BCAERO C[C@@H](O[C@H]1CCC[NH2+]C1)C(=O)N(C)C ZINC000020422839 176003975 /nfs/dbraw/zinc/00/39/75/176003975.db2.gz VRADJHFOQVKIBY-BDAKNGLRSA-N 1 0 200.282 0.232 10 0 BCAERO CCCCOC[C@@H](O)C[NH2+][C@@H]1CCOC1 ZINC000227894615 487562766 /nfs/dbraw/zinc/56/27/66/487562766.db2.gz AYTLCCHRBOYCFO-MNOVXSKESA-N 1 0 217.309 0.543 10 0 BCAERO C[C@H]1NC(=O)CC[C@@H]1[NH2+][C@@H]1CCCC[C@H]1O ZINC000393072898 487563411 /nfs/dbraw/zinc/56/34/11/487563411.db2.gz BQKZBJQEMIDUNR-LMLFDSFASA-N 1 0 226.320 0.547 10 0 BCAERO [NH3+]C1(CC(=O)NCC[C@H]2CCCO2)CCC1 ZINC000086853385 487566221 /nfs/dbraw/zinc/56/62/21/487566221.db2.gz FIOAWPXPJKUWBG-SNVBAGLBSA-N 1 0 226.320 0.943 10 0 BCAERO [NH3+]C1(CC(=O)NCC[C@@H]2CCCO2)CCC1 ZINC000086853386 487566296 /nfs/dbraw/zinc/56/62/96/487566296.db2.gz FIOAWPXPJKUWBG-JTQLQIEISA-N 1 0 226.320 0.943 10 0 BCAERO [NH3+]C1(CC(=O)N[C@H]2CCC[C@H](O)C2)CCC1 ZINC000086853319 487566729 /nfs/dbraw/zinc/56/67/29/487566729.db2.gz CFINGGMPBCMMES-UWVGGRQHSA-N 1 0 226.320 0.678 10 0 BCAERO C[C@H]1CN(C(=O)CC2([NH3+])CCC2)C[C@H](C)O1 ZINC000086852957 487569179 /nfs/dbraw/zinc/56/91/79/487569179.db2.gz AWOSEICRFAOGJO-UWVGGRQHSA-N 1 0 226.320 0.894 10 0 BCAERO C[C@H]1OCC[C@H]1NC(=O)COC1CC[NH2+]CC1 ZINC000149755246 487569691 /nfs/dbraw/zinc/56/96/91/487569691.db2.gz YBVBDLBKFUGVPU-MWLCHTKSSA-N 1 0 242.319 0.049 10 0 BCAERO C[C@H](NC(=O)CC1([NH3+])CCC1)[C@H]1CCCO1 ZINC000086853254 487570067 /nfs/dbraw/zinc/57/00/67/487570067.db2.gz JKIPAEQGWWYACG-VHSXEESVSA-N 1 0 226.320 0.942 10 0 BCAERO Cn1cnc(-c2nc([C@H]3CCC[NH2+]3)no2)c1 ZINC000225425684 487573119 /nfs/dbraw/zinc/57/31/19/487573119.db2.gz LVSJUHJZAUMUOW-SSDOTTSWSA-N 1 0 219.248 0.895 10 0 BCAERO C[NH+](C)[C@H]1CCN(C[C@@H](O)C(F)(F)F)C1 ZINC000225433281 487576206 /nfs/dbraw/zinc/57/62/06/487576206.db2.gz XUGQLACOWJGMJQ-JGVFFNPUSA-N 1 0 226.242 0.546 10 0 BCAERO CC(C)[NH2+]CCC(=O)NC[C@@H](O)C(C)(C)C ZINC000324379480 487587743 /nfs/dbraw/zinc/58/77/43/487587743.db2.gz VZWVXYJPAIJRFC-SNVBAGLBSA-N 1 0 230.352 0.898 10 0 BCAERO COCCn1ccnc1[C@@H]1[NH2+]CC12CC2 ZINC000536955680 487604087 /nfs/dbraw/zinc/60/40/87/487604087.db2.gz RQEUBWUXEYENHR-VIFPVBQESA-N 1 0 207.277 0.954 10 0 BCAERO O=C(CCC1CC1)N1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC000404244236 322921698 /nfs/dbraw/zinc/92/16/98/322921698.db2.gz ZCXWMQRTTIJVRZ-RYUDHWBXSA-N 1 0 238.331 0.766 10 0 BCAERO O=C(CCC1CC1)N1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC000404244234 322921702 /nfs/dbraw/zinc/92/17/02/322921702.db2.gz ZCXWMQRTTIJVRZ-NEPJUHHUSA-N 1 0 238.331 0.766 10 0 BCAERO CC(C)S(=O)(=O)NC1CCC([NH3+])CC1 ZINC000037657515 167319284 /nfs/dbraw/zinc/31/92/84/167319284.db2.gz ZJTGNOPNARXCTD-UHFFFAOYSA-N 1 0 220.338 0.584 10 0 BCAERO CC(C)S(=O)(=O)N1CCC(C)([NH3+])CC1 ZINC000077331390 167319452 /nfs/dbraw/zinc/31/94/52/167319452.db2.gz KKMQVJQLQZDOJG-UHFFFAOYSA-N 1 0 220.338 0.538 10 0 BCAERO CC(C)S(=O)(=O)NC[C@@H]1CCC[NH2+]1 ZINC000053254484 167318850 /nfs/dbraw/zinc/31/88/50/167318850.db2.gz KIFNSVVHWWZQQH-QMMMGPOBSA-N 1 0 206.311 0.066 10 0 BCAERO CC(C)S(=O)(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000037657317 167319063 /nfs/dbraw/zinc/31/90/63/167319063.db2.gz NBFJNMLRUUFKJQ-QMMMGPOBSA-N 1 0 206.311 0.018 10 0 BCAERO CC(C)S(=O)(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000061884133 167319089 /nfs/dbraw/zinc/31/90/89/167319089.db2.gz KAVCAMYCBYGSLK-DTWKUNHWSA-N 1 0 220.338 0.442 10 0 BCAERO CC(C)S(=O)(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000037657683 167319939 /nfs/dbraw/zinc/31/99/39/167319939.db2.gz VYCTXCZJGHTHDA-SNVBAGLBSA-N 1 0 246.376 0.989 10 0 BCAERO CC(C)S(=O)(=O)NC[C@H]1CCCC[NH2+]1 ZINC000037657520 167320010 /nfs/dbraw/zinc/32/00/10/167320010.db2.gz VKIUGGDBIRQWQU-SECBINFHSA-N 1 0 220.338 0.456 10 0 BCAERO C[NH2+][C@H](C)C(=O)N[C@H]1CCS[C@@H]1C ZINC000306223862 487607089 /nfs/dbraw/zinc/60/70/89/487607089.db2.gz ZXFKNKKURVLWCB-PRJMDXOYSA-N 1 0 202.323 0.605 10 0 BCAERO [NH3+]C1(CC(=O)NC[C@H]2CCCC[C@H]2O)CC1 ZINC000398188508 487607256 /nfs/dbraw/zinc/60/72/56/487607256.db2.gz VZWOBDZUAWHGII-NXEZZACHSA-N 1 0 226.320 0.535 10 0 BCAERO C[C@H](O)C1CCN(C(=O)[C@H]2C[C@H]([NH3+])C2)CC1 ZINC000662564836 409761407 /nfs/dbraw/zinc/76/14/07/409761407.db2.gz YMCJLPPSJYZLDZ-LSJOCFKGSA-N 1 0 226.320 0.343 10 0 BCAERO C[C@H](CNC(=O)[C@@H]1CC[NH2+]C1)c1ccccn1 ZINC000662605617 409779956 /nfs/dbraw/zinc/77/99/56/409779956.db2.gz MJKMZRMXAWJSNB-GHMZBOCLSA-N 1 0 233.315 0.911 10 0 BCAERO C[C@@H](CNC(=O)[C@@H]1CC[NH2+]C1)c1ccccn1 ZINC000662605620 409780616 /nfs/dbraw/zinc/78/06/16/409780616.db2.gz MJKMZRMXAWJSNB-WDEREUQCSA-N 1 0 233.315 0.911 10 0 BCAERO CC[C@@H](C)CCNC(=O)[C@H]([NH3+])COC ZINC000662626426 409796644 /nfs/dbraw/zinc/79/66/44/409796644.db2.gz HBUXTANDEIVKLZ-RKDXNWHRSA-N 1 0 202.298 0.513 10 0 BCAERO CCOCCCC(=O)N1CC[C@H]([NH3+])[C@H]1C ZINC000308808263 409906147 /nfs/dbraw/zinc/90/61/47/409906147.db2.gz BLGYGMKTNQZIEQ-ZJUUUORDSA-N 1 0 214.309 0.751 10 0 BCAERO CC1(C)CCCN1C(=O)[C@H]1C[NH2+]CCOC1 ZINC000643672313 409919842 /nfs/dbraw/zinc/91/98/42/409919842.db2.gz KSIIANBOEVVAOZ-JTQLQIEISA-N 1 0 226.320 0.623 10 0 BCAERO [NH3+]C1(C(=O)NC2CC3(CCC3)C2)CCOCC1 ZINC000662907356 409977536 /nfs/dbraw/zinc/97/75/36/409977536.db2.gz TZPXXNSBUYKXFE-UHFFFAOYSA-N 1 0 238.331 0.943 10 0 BCAERO O=C(C[C@@H]1CCC[NH2+]C1)NCCOCCF ZINC000663004875 410022118 /nfs/dbraw/zinc/02/21/18/410022118.db2.gz SHBSKHPTXIHJKW-JTQLQIEISA-N 1 0 232.299 0.478 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)Nc1cnn(C)c1 ZINC000128918685 410083773 /nfs/dbraw/zinc/08/37/73/410083773.db2.gz XBRCSLAXXQOVOA-SECBINFHSA-N 1 0 210.281 0.732 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)N1CCN(C)CC1 ZINC000128846811 410083879 /nfs/dbraw/zinc/08/38/79/410083879.db2.gz PAKSEEISAPQCGT-SNVBAGLBSA-N 1 0 213.325 0.134 10 0 BCAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)[C@H]1CCCCO1 ZINC000309058261 410210403 /nfs/dbraw/zinc/21/04/03/410210403.db2.gz UODNVQUKEHEFQH-KXUCPTDWSA-N 1 0 212.293 0.504 10 0 BCAERO CC(C)C[C@@H]([NH3+])C(=O)N1CC[C@](C)(C(N)=O)C1 ZINC000232601115 487614632 /nfs/dbraw/zinc/61/46/32/487614632.db2.gz IIJRWGJEFDRQDZ-SKDRFNHKSA-N 1 0 241.335 0.084 10 0 BCAERO C[NH2+][C@H](C)C(=O)N1CC[C@@]2(CCOC2)C1 ZINC000655440696 410264415 /nfs/dbraw/zinc/26/44/15/410264415.db2.gz GVVDMNKJNOUZNK-MWLCHTKSSA-N 1 0 212.293 0.233 10 0 BCAERO CCCCOC[C@H](O)C[NH2+][C@H](CO)C1CCC1 ZINC000661153714 410307036 /nfs/dbraw/zinc/30/70/36/410307036.db2.gz LJLVFFXSBHJZHP-CHWSQXEVSA-N 1 0 245.363 0.915 10 0 BCAERO CCCCOC[C@@H](O)C[NH2+][C@H](CO)C1CCC1 ZINC000661153721 410307205 /nfs/dbraw/zinc/30/72/05/410307205.db2.gz LJLVFFXSBHJZHP-QWHCGFSZSA-N 1 0 245.363 0.915 10 0 BCAERO O=C([C@H]1CCC[NH2+]1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000133255471 410435226 /nfs/dbraw/zinc/43/52/26/410435226.db2.gz BRRJSUWOBJZXFY-WOPDTQHZSA-N 1 0 238.331 0.908 10 0 BCAERO CCCNC(=O)[C@H](C)n1cc(C(C)(C)[NH3+])nn1 ZINC000070117857 410664178 /nfs/dbraw/zinc/66/41/78/410664178.db2.gz BODRWXSGTYTLLF-QMMMGPOBSA-N 1 0 239.323 0.559 10 0 BCAERO CC[C@@H](C)NC(=O)Cn1cc(C(C)(C)[NH3+])nn1 ZINC000070118098 410664607 /nfs/dbraw/zinc/66/46/07/410664607.db2.gz ZSTXNTITIADIGI-MRVPVSSYSA-N 1 0 239.323 0.387 10 0 BCAERO CC(C)(C)OC(=O)NN1CCC[C@H]([NH3+])C1 ZINC000039093924 166663959 /nfs/dbraw/zinc/66/39/59/166663959.db2.gz AWEBBLKGLHWRJU-QMMMGPOBSA-N 1 0 215.297 0.849 10 0 BCAERO C[NH2+][C@H](C)C(=O)NCCCc1ccccn1 ZINC000655468783 410676971 /nfs/dbraw/zinc/67/69/71/410676971.db2.gz GMZNKIHZCSOOHP-SNVBAGLBSA-N 1 0 221.304 0.738 10 0 BCAERO CC(C)(C)[C@@H](O)C[NH2+]CC1(CO)CC1 ZINC000393653994 410753128 /nfs/dbraw/zinc/75/31/28/410753128.db2.gz CTEFUTWPGBZMKL-VIFPVBQESA-N 1 0 201.310 0.756 10 0 BCAERO C[C@@H]([NH3+])CCNC(=O)[C@@H](C)OCC1CC1 ZINC000393748972 410756664 /nfs/dbraw/zinc/75/66/64/410756664.db2.gz POIZCCXUJYBYJL-RKDXNWHRSA-N 1 0 214.309 0.655 10 0 BCAERO OC1CC[NH+](C[C@H]2CCC[C@H](O)C2)CC1 ZINC000308817708 410771262 /nfs/dbraw/zinc/77/12/62/410771262.db2.gz BLCJYZPYWMXIIV-JQWIXIFHSA-N 1 0 213.321 0.994 10 0 BCAERO CC(C)CCN(C(=O)[C@H]1C[C@@H](O)C[NH2+]1)C1CC1 ZINC000037807040 166830916 /nfs/dbraw/zinc/83/09/16/166830916.db2.gz WRHDXANGWLGITR-VXGBXAGGSA-N 1 0 240.347 0.746 10 0 BCAERO CC(C)CCN(C)C(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000037817919 166832305 /nfs/dbraw/zinc/83/23/05/166832305.db2.gz MMGFVPONMCJXCO-UWVGGRQHSA-N 1 0 214.309 0.214 10 0 BCAERO COCC1(CNC(=O)[C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000655490576 410806643 /nfs/dbraw/zinc/80/66/43/410806643.db2.gz NUGKEPWBQXQHOT-GHMZBOCLSA-N 1 0 240.347 0.904 10 0 BCAERO COCC1(CNC(=O)[C@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000655490331 410807698 /nfs/dbraw/zinc/80/76/98/410807698.db2.gz ISOBUYIQGCQOAB-VHSXEESVSA-N 1 0 226.320 0.657 10 0 BCAERO COCC1(CNC(=O)C[C@H]2CCC[NH2+]C2)CC1 ZINC000655490525 410807760 /nfs/dbraw/zinc/80/77/60/410807760.db2.gz MTWOZSJYZAIZBU-LLVKDONJSA-N 1 0 240.347 0.919 10 0 BCAERO COCC1(CNC(=O)[C@@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000655490329 410807898 /nfs/dbraw/zinc/80/78/98/410807898.db2.gz ISOBUYIQGCQOAB-NXEZZACHSA-N 1 0 226.320 0.657 10 0 BCAERO C[C@H]1[NH2+]CCC[C@@H]1C(=O)N(C)Cc1cn[nH]c1 ZINC000395230699 410842597 /nfs/dbraw/zinc/84/25/97/410842597.db2.gz FCALKDNUQOPBHM-KOLCDFICSA-N 1 0 236.319 0.756 10 0 BCAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N[C@@H]1CCSC1 ZINC000395232690 410842688 /nfs/dbraw/zinc/84/26/88/410842688.db2.gz CQWNGXAQHNZMSG-AEJSXWLSSA-N 1 0 228.361 0.996 10 0 BCAERO COc1nccc(C[NH2+][C@@H]2CCC[C@H](O)C2)n1 ZINC000395231047 410842788 /nfs/dbraw/zinc/84/27/88/410842788.db2.gz PVDVANLBCZNMOE-KOLCDFICSA-N 1 0 237.303 0.878 10 0 BCAERO C[C@@H]([NH2+]C[C@H]1CCCN1C)[C@H](C)CO ZINC000395339004 410846411 /nfs/dbraw/zinc/84/64/11/410846411.db2.gz YLLLICCWQHXXSD-GMTAPVOTSA-N 1 0 200.326 0.687 10 0 BCAERO COC[C@H](C)NC(=O)[C@@H]([NH3+])C(C)(C)C ZINC000040458059 410873250 /nfs/dbraw/zinc/87/32/50/410873250.db2.gz SMKPEOVWXWZJCQ-JGVFFNPUSA-N 1 0 202.298 0.511 10 0 BCAERO CC(C)(C)[C@H]([NH3+])C(=O)N[C@@H]1CCC[C@@H](O)C1 ZINC000040462116 410874260 /nfs/dbraw/zinc/87/42/60/410874260.db2.gz WXTBQMUIAJLQBR-OPRDCNLKSA-N 1 0 228.336 0.780 10 0 BCAERO CC(C)C[C@@H]([NH3+])C(=O)N1CCc2n[nH]cc2C1 ZINC000396839690 410902530 /nfs/dbraw/zinc/90/25/30/410902530.db2.gz FOEOZASRCINDDN-SNVBAGLBSA-N 1 0 236.319 0.668 10 0 BCAERO CC(C)C[NH2+]C1(CO)CCN(C)CC1 ZINC000038122039 167002312 /nfs/dbraw/zinc/00/23/12/167002312.db2.gz IGSNLIFKSGTFPR-UHFFFAOYSA-N 1 0 200.326 0.689 10 0 BCAERO Cc1nccc(C(=O)NC[C@@H]2CC[NH2+]C2)n1 ZINC000396902518 410904401 /nfs/dbraw/zinc/90/44/01/410904401.db2.gz ZKFBMGCWMWVAEW-SECBINFHSA-N 1 0 220.276 0.124 10 0 BCAERO CC(C)NC(=O)CN(C)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000042609847 167049346 /nfs/dbraw/zinc/04/93/46/167049346.db2.gz FUFLKEYNOLVQOT-WDEREUQCSA-N 1 0 227.352 0.713 10 0 BCAERO CC(C)NC(=O)CN(C)CC[C@@H]1CCCC[NH2+]1 ZINC000042607984 167049619 /nfs/dbraw/zinc/04/96/19/167049619.db2.gz QNKWFWFLEPDRDZ-LBPRGKRZSA-N 1 0 241.379 0.975 10 0 BCAERO [NH3+]C[C@H]1CCC[C@@H]1C(=O)N1CCc2n[nH]cc2C1 ZINC000396813609 410901732 /nfs/dbraw/zinc/90/17/32/410901732.db2.gz FEKPEHUQCYJUHM-KOLCDFICSA-N 1 0 248.330 0.669 10 0 BCAERO CC(C)NC(=O)[C@@H](C)[NH2+]C1CCN(C)CC1 ZINC000037249541 167079387 /nfs/dbraw/zinc/07/93/87/167079387.db2.gz WFRZUZFQMVDSLK-SNVBAGLBSA-N 1 0 227.352 0.583 10 0 BCAERO CC(C)[NH2+]CCN1CCC(C(N)=O)CC1 ZINC000043500937 167104518 /nfs/dbraw/zinc/10/45/18/167104518.db2.gz JCISLIUOLOZXCO-UHFFFAOYSA-N 1 0 213.325 0.182 10 0 BCAERO CC(C)[NH2+]CCn1cnc2c1ncnc2N ZINC000002360094 167109062 /nfs/dbraw/zinc/10/90/62/167109062.db2.gz GSKPWUXYNXNOBW-UHFFFAOYSA-N 1 0 220.280 0.407 10 0 BCAERO CC(C)[NH2+]Cc1nnnn1C1CCOCC1 ZINC000054746237 167124194 /nfs/dbraw/zinc/12/41/94/167124194.db2.gz TXMONBOUPZMSAU-UHFFFAOYSA-N 1 0 225.296 0.523 10 0 BCAERO CC(C)NS(=O)(=O)c1cc[nH+]c(NN)c1 ZINC000038008884 167130457 /nfs/dbraw/zinc/13/04/57/167130457.db2.gz CVHUUCMHODSRLE-UHFFFAOYSA-N 1 0 230.293 0.054 10 0 BCAERO CC(C)[NH2+][C@H](CCOC[C@@H]1CCCO1)C(N)=O ZINC000062543547 167138433 /nfs/dbraw/zinc/13/84/33/167138433.db2.gz IZUMWSBJFVWOJB-WDEREUQCSA-N 1 0 244.335 0.424 10 0 BCAERO CC(C)[NH2+][C@H]1CCCN(c2cnn(C)c2)C1=O ZINC000071040295 167140820 /nfs/dbraw/zinc/14/08/20/167140820.db2.gz VQVQGZZFJVCSQU-NSHDSACASA-N 1 0 236.319 0.914 10 0 BCAERO CC[NH+](CC)CCOc1ccc(=O)n(C)n1 ZINC000090450602 169782735 /nfs/dbraw/zinc/78/27/35/169782735.db2.gz DWUASBFQTSPVQZ-UHFFFAOYSA-N 1 0 225.292 0.501 10 0 BCAERO C[C@]1(CNC(=O)[C@H]2CCC[C@H]2C[NH3+])CCOC1 ZINC000397218879 410916618 /nfs/dbraw/zinc/91/66/18/410916618.db2.gz IIAMXLUHBSOXEP-GMXVVIOVSA-N 1 0 240.347 0.904 10 0 BCAERO CC(C)OC[C@@H](C)[NH2+]C[C@H]1CN(C)CCO1 ZINC000309589276 167257862 /nfs/dbraw/zinc/25/78/62/167257862.db2.gz UEYDLZADPWKPMG-NEPJUHHUSA-N 1 0 230.352 0.720 10 0 BCAERO CN(C)c1ccc(C(=O)NCC2C[NH2+]C2)cc1 ZINC000397836556 410936824 /nfs/dbraw/zinc/93/68/24/410936824.db2.gz MVQZXTMENPXYBX-UHFFFAOYSA-N 1 0 233.315 0.702 10 0 BCAERO CC(C)[C@@H](C[NH3+])N1CCCS1(=O)=O ZINC000082640237 167397261 /nfs/dbraw/zinc/39/72/61/167397261.db2.gz CJTNAGJJRBQSIG-MRVPVSSYSA-N 1 0 206.311 0.005 10 0 BCAERO CC(C)S(=O)(=O)CCCN(C)CCC[NH3+] ZINC000309372110 410928527 /nfs/dbraw/zinc/92/85/27/410928527.db2.gz CBWNHTOEVWAKMB-UHFFFAOYSA-N 1 0 236.381 0.480 10 0 BCAERO O=C(C[C@H]1CCC[NH2+]1)NCC[C@H]1CCCO1 ZINC000042170461 410972240 /nfs/dbraw/zinc/97/22/40/410972240.db2.gz ONPSMXPGNXMVJX-GHMZBOCLSA-N 1 0 226.320 0.814 10 0 BCAERO CC(C)[C@H](C(=O)N[C@H]1CCCNC1=O)[C@H](C)[NH3+] ZINC000399667332 411055070 /nfs/dbraw/zinc/05/50/70/411055070.db2.gz RGMHONJINZTFOP-GUBZILKMSA-N 1 0 241.335 0.001 10 0 BCAERO CC(C)[C@H](C(=O)N[C@@H]1CCCNC1=O)[C@@H](C)[NH3+] ZINC000399667330 411055350 /nfs/dbraw/zinc/05/53/50/411055350.db2.gz RGMHONJINZTFOP-BBBLOLIVSA-N 1 0 241.335 0.001 10 0 BCAERO CN(CCC(C)(C)C)C(=O)[C@@H](N)CC(N)=O ZINC000399808878 411067738 /nfs/dbraw/zinc/06/77/38/411067738.db2.gz CKWJNYRHRWSHRE-QMMMGPOBSA-N 1 0 229.324 0.084 10 0 BCAERO CC[C@@H](NC(=O)CN1CC[NH2+]CC1)C(C)C ZINC000042592854 411021380 /nfs/dbraw/zinc/02/13/80/411021380.db2.gz IWFRYKCXCDSMPF-LLVKDONJSA-N 1 0 227.352 0.442 10 0 BCAERO C[C@@H](Cc1ccccn1)NC(=O)[C@H]1CC[NH2+]C1 ZINC000655499435 411029266 /nfs/dbraw/zinc/02/92/66/411029266.db2.gz LJEBIRZULGPHEQ-QWRGUYRKSA-N 1 0 233.315 0.738 10 0 BCAERO CC1(C(=O)N[C@H]2CCC[C@H](O)C2)C[NH2+]C1 ZINC000399285969 411030514 /nfs/dbraw/zinc/03/05/14/411030514.db2.gz KQCQOXJQHKVABS-IUCAKERBSA-N 1 0 212.293 0.016 10 0 BCAERO COC[C@@H](C)NC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000309392261 411163492 /nfs/dbraw/zinc/16/34/92/411163492.db2.gz GBDQFAKELJHITM-UTLUCORTSA-N 1 0 214.309 0.513 10 0 BCAERO CN(Cc1cc[nH]n1)C(=O)C1CCC([NH3+])CC1 ZINC000400267583 411153565 /nfs/dbraw/zinc/15/35/65/411153565.db2.gz BUCSAZWJPPWUCE-UHFFFAOYSA-N 1 0 236.319 0.886 10 0 BCAERO C[NH2+][C@H](C)CNC(=O)[C@@H](C)OCC(C)C ZINC000309514908 411157893 /nfs/dbraw/zinc/15/78/93/411157893.db2.gz RCANZJIOYCWJED-NXEZZACHSA-N 1 0 216.325 0.772 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)NCc1cc(C)n[nH]1 ZINC000309512537 411158503 /nfs/dbraw/zinc/15/85/03/411158503.db2.gz XUHCFUDRTGZYEJ-SECBINFHSA-N 1 0 210.281 0.462 10 0 BCAERO Cc1ncccc1CN1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000655940546 411160490 /nfs/dbraw/zinc/16/04/90/411160490.db2.gz UIMLYDZHAKEBSQ-QWHCGFSZSA-N 1 0 233.315 0.563 10 0 BCAERO Cn1ccc(C[NH2+][C@H]2CCOC[C@@H]2O)c1 ZINC000623767095 411162430 /nfs/dbraw/zinc/16/24/30/411162430.db2.gz PWJWWTBJGYADTJ-QWRGUYRKSA-N 1 0 210.277 0.265 10 0 BCAERO CNC(=O)CCC[N@@H+]1C[C@H](C)C[C@@H](O)C1 ZINC000401901470 411170005 /nfs/dbraw/zinc/17/00/05/411170005.db2.gz MOWJIBHMIBPWLM-NXEZZACHSA-N 1 0 214.309 0.215 10 0 BCAERO O=C(CC[C@H]1CCC[NH2+]1)NCCn1cccn1 ZINC000310560216 411242532 /nfs/dbraw/zinc/24/25/32/411242532.db2.gz JOLJDSJRPRKMOQ-LLVKDONJSA-N 1 0 236.319 0.532 10 0 BCAERO CC[C@@H]1CN(C(=O)C[C@@H]([NH3+])C(C)C)CCO1 ZINC000128927049 411189704 /nfs/dbraw/zinc/18/97/04/411189704.db2.gz SZDAIUZLSPJFTF-GHMZBOCLSA-N 1 0 228.336 0.997 10 0 BCAERO CC(C)[C@@H]([NH3+])CC(=O)N1CCOCC1 ZINC000128843879 411244353 /nfs/dbraw/zinc/24/43/53/411244353.db2.gz OXRAXBPEUDVDSA-VIFPVBQESA-N 1 0 200.282 0.219 10 0 BCAERO C[C@@H]1C[C@@H](NC(=O)C2CCC([NH3+])CC2)CO1 ZINC000402037196 411192393 /nfs/dbraw/zinc/19/23/93/411192393.db2.gz GZWMSOUHHGBYSY-AGVGLQIMSA-N 1 0 226.320 0.798 10 0 BCAERO COCCN(C)C(=O)C[C@@H]([NH3+])C(C)C ZINC000128973361 411194272 /nfs/dbraw/zinc/19/42/72/411194272.db2.gz ARUFAVSJMRDKFH-SECBINFHSA-N 1 0 202.298 0.465 10 0 BCAERO Cn1ccc(Cn2cc(C(C)(C)[NH3+])nn2)n1 ZINC000124375298 411195857 /nfs/dbraw/zinc/19/58/57/411195857.db2.gz GEDNKVAFRFTRBS-UHFFFAOYSA-N 1 0 220.280 0.254 10 0 BCAERO Cc1cnc(C)c(N[C@H](CC[NH3+])C(F)F)n1 ZINC000383492747 411205631 /nfs/dbraw/zinc/20/56/31/411205631.db2.gz QNPWPQDSSDYPGV-MRVPVSSYSA-N 1 0 230.262 1.488 10 0 BCAERO CC(C)[C@@H]([NH3+])CC(=O)NCC[N@H+](C)C1CC1 ZINC000129050797 411216478 /nfs/dbraw/zinc/21/64/78/411216478.db2.gz ABZDRRWCVJAMCM-NSHDSACASA-N 1 0 227.352 0.570 10 0 BCAERO CC(C)[C@@H]([NH3+])CC(=O)N1CCCO[C@@H](C)C1 ZINC000129049493 411216948 /nfs/dbraw/zinc/21/69/48/411216948.db2.gz WWSGKLAJIQEAMX-QWRGUYRKSA-N 1 0 228.336 0.997 10 0 BCAERO COC[C@H]1CCN(C(=O)C[C@@H]([NH3+])C(C)C)C1 ZINC000129094905 411223522 /nfs/dbraw/zinc/22/35/22/411223522.db2.gz JEOKILNSAOASBS-WDEREUQCSA-N 1 0 228.336 0.855 10 0 BCAERO CC(C)C[C@H](CO)[NH2+]C[C@H](O)CN(C)C1CC1 ZINC000310217771 411225635 /nfs/dbraw/zinc/22/56/35/411225635.db2.gz FKTUCLGDWAUPAH-YPMHNXCESA-N 1 0 244.379 0.438 10 0 BCAERO CCc1cc(NC(=O)[C@H]2CC[NH2+]C2)n[nH]1 ZINC000129109729 411230045 /nfs/dbraw/zinc/23/00/45/411230045.db2.gz PXYUBYSNTBFFNF-ZETCQYMHSA-N 1 0 208.265 0.520 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)NCC1(C)COC1 ZINC000129136419 411232813 /nfs/dbraw/zinc/23/28/13/411232813.db2.gz QFFKMVYAOJVNMQ-SECBINFHSA-N 1 0 214.309 0.513 10 0 BCAERO CC[C@H](CCO)CNC(=O)C[C@@H]([NH3+])C(C)C ZINC000129140508 411233028 /nfs/dbraw/zinc/23/30/28/411233028.db2.gz CVGLIPOIYYYFQW-GHMZBOCLSA-N 1 0 230.352 0.885 10 0 BCAERO CC(C)(C)[N@@H+]1CCN[C@H](c2cc(N)n[nH]2)C1 ZINC000616634788 411240267 /nfs/dbraw/zinc/24/02/67/411240267.db2.gz YRHOHDINXZEVTC-VIFPVBQESA-N 1 0 223.324 0.737 10 0 BCAERO CCN(C)C(=O)CNC(=O)CC[C@H]1CCC[NH2+]1 ZINC000310590774 411242024 /nfs/dbraw/zinc/24/20/24/411242024.db2.gz ZDPVPAKYXZXNSJ-SNVBAGLBSA-N 1 0 241.335 0.113 10 0 BCAERO CCOC[C@H](O)CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000082699501 411167380 /nfs/dbraw/zinc/16/73/80/411167380.db2.gz WBNGTVQSUHMTTQ-VXGBXAGGSA-N 1 0 228.336 0.164 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)NC[C@@H]1CCCO1 ZINC000128874802 411267828 /nfs/dbraw/zinc/26/78/28/411267828.db2.gz NNELOLDYLQIOAY-VHSXEESVSA-N 1 0 214.309 0.655 10 0 BCAERO C[C@@]1(C(=O)NCC[C@H]2CCCO2)CC[NH2+]C1 ZINC000062897053 411328811 /nfs/dbraw/zinc/32/88/11/411328811.db2.gz HFFSYMAZXYIBLP-ZYHUDNBSSA-N 1 0 226.320 0.671 10 0 BCAERO CC1(C(=O)N[C@@H]2CCC[C@@H](O)C2)CC[NH2+]CC1 ZINC000062839967 167871490 /nfs/dbraw/zinc/87/14/90/167871490.db2.gz RBIGKZDMAVVGLL-GHMZBOCLSA-N 1 0 240.347 0.796 10 0 BCAERO Nc1cc([C@H]2CCCN(CC[NH3+])CC2)[nH]n1 ZINC000616630425 411287757 /nfs/dbraw/zinc/28/77/57/411287757.db2.gz XPEBVRWCWJOPIK-VIFPVBQESA-N 1 0 223.324 0.520 10 0 BCAERO CC(C)[C@@H]([NH3+])CC(=O)N1CCSCC1 ZINC000128885119 411294320 /nfs/dbraw/zinc/29/43/20/411294320.db2.gz OTBQUPNIMLPEAH-VIFPVBQESA-N 1 0 216.350 0.935 10 0 BCAERO C[C@@H]1C[C@H](NC(=O)[C@@H]2C[NH2+]C[C@H]2C)[C@@H](C)O1 ZINC000384530352 411294896 /nfs/dbraw/zinc/29/48/96/411294896.db2.gz CNIUTTMBNXLKIZ-ILAIQSSSSA-N 1 0 226.320 0.524 10 0 BCAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)Nc1cncnc1 ZINC000384529158 411295101 /nfs/dbraw/zinc/29/51/01/411295101.db2.gz JSACTNQIDIBASB-WPRPVWTQSA-N 1 0 220.276 0.803 10 0 BCAERO CCC[C@@H]1C[C@H]1NC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000309854757 411295460 /nfs/dbraw/zinc/29/54/60/411295460.db2.gz ZYGMCHNTVRRMBY-NZFPMDFQSA-N 1 0 208.305 0.757 10 0 BCAERO COC[C@@H](OC)C(=O)N(C)[C@@H]1CCC[NH2+]CC1 ZINC000659304914 411298026 /nfs/dbraw/zinc/29/80/26/411298026.db2.gz QPJKGGQWFWUMNQ-GHMZBOCLSA-N 1 0 244.335 0.248 10 0 BCAERO CCN(C(=O)[C@@H]1C[NH2+]C[C@H]1C)[C@@H]1CCCOC1 ZINC000402667419 411307288 /nfs/dbraw/zinc/30/72/88/411307288.db2.gz AQNKFNJAVAQSKY-IJLUTSLNSA-N 1 0 240.347 0.869 10 0 BCAERO Cc1nnc(N(C)CC(C)(C)[NH3+])nc1C ZINC000656609008 411307401 /nfs/dbraw/zinc/30/74/01/411307401.db2.gz SKXGTWXVQQILLG-UHFFFAOYSA-N 1 0 209.297 0.662 10 0 BCAERO C[C@H]([NH2+]C[C@@H]1CC(=O)N(C)C1)[C@@H]1CCCO1 ZINC000658239295 411308112 /nfs/dbraw/zinc/30/81/12/411308112.db2.gz MBURXOKBEIXFBC-DCAQKATOSA-N 1 0 226.320 0.622 10 0 BCAERO CCOC[C@@H](C)[NH2+]C[C@H]1CC(=O)N(C)C1 ZINC000658242334 411308971 /nfs/dbraw/zinc/30/89/71/411308971.db2.gz HTBYQNZMALUXPW-NXEZZACHSA-N 1 0 214.309 0.479 10 0 BCAERO CCOC1CC([NH2+]C[C@@H]2CC(=O)N(C)C2)C1 ZINC000658243542 411310225 /nfs/dbraw/zinc/31/02/25/411310225.db2.gz OIZHRNAMYDQYLJ-WHXUTIOJSA-N 1 0 226.320 0.622 10 0 BCAERO CCn1ccnc(N2CC3CC2(C[NH3+])C3)c1=O ZINC000656611142 411310338 /nfs/dbraw/zinc/31/03/38/411310338.db2.gz XAKRTSWVYMADGT-UHFFFAOYSA-N 1 0 234.303 0.191 10 0 BCAERO CC(C)CNC(=O)[C@H](C)n1cc(C[NH3+])nn1 ZINC000050224635 411254518 /nfs/dbraw/zinc/25/45/18/411254518.db2.gz AECHAAPQMXSHMA-QMMMGPOBSA-N 1 0 225.296 0.070 10 0 BCAERO CN(Cc1cn[nH]c1)C(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000070230194 411257281 /nfs/dbraw/zinc/25/72/81/411257281.db2.gz STJUQONTAPCMTG-MNOVXSKESA-N 1 0 236.319 0.886 10 0 BCAERO C[C@@H]([NH2+]C1CC(CO)C1)c1cnn(C)c1 ZINC000658352510 411354977 /nfs/dbraw/zinc/35/49/77/411354977.db2.gz XYNYOMXFUDZORB-FKTRJACZSA-N 1 0 209.293 0.842 10 0 BCAERO C[C@H]1C[C@@H]([NH2+]C2CC(CO)C2)CCN1C ZINC000658352916 411355967 /nfs/dbraw/zinc/35/59/67/411355967.db2.gz BYFRNULKXVIDHN-VOBJUBJWSA-N 1 0 212.337 0.830 10 0 BCAERO C[C@@H]1OCC[C@@H]1NC(=O)[C@H]1CCCC[NH2+]1 ZINC000125345365 411364594 /nfs/dbraw/zinc/36/45/94/411364594.db2.gz KBOOQURDBJJESM-LPEHRKFASA-N 1 0 212.293 0.422 10 0 BCAERO CCC[C@@H](O)C[N@@H+]1CC[C@H](N(C)C)C1 ZINC000062968072 411334682 /nfs/dbraw/zinc/33/46/82/411334682.db2.gz QAAXKVANKACKSS-WDEREUQCSA-N 1 0 200.326 0.783 10 0 BCAERO [NH3+]C1(C(=O)N[C@@H]2CC[C@@H]3C[C@@H]3C2)CCOCC1 ZINC000403210737 411335698 /nfs/dbraw/zinc/33/56/98/411335698.db2.gz FGOKSUWNFUXKDT-GMTAPVOTSA-N 1 0 238.331 0.799 10 0 BCAERO CC1(C)C[C@@H]1NC(=O)C1(C[NH3+])CCOCC1 ZINC000045135472 167986025 /nfs/dbraw/zinc/98/60/25/167986025.db2.gz PTCJUQJHYLDZCG-VIFPVBQESA-N 1 0 226.320 0.657 10 0 BCAERO O=C(N[C@@H]1CC[C@@H]2C[C@@H]2C1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000403299159 411336866 /nfs/dbraw/zinc/33/68/66/411336866.db2.gz WBVYAUWJNCLGBZ-ISUQUUIWSA-N 1 0 224.304 0.014 10 0 BCAERO O=C(N[C@H]1CCC[C@H](O)C1)[C@@H]1CC[NH2+]C1 ZINC000062113117 411347226 /nfs/dbraw/zinc/34/72/26/411347226.db2.gz WWGAIBPYRKYLQQ-UTLUCORTSA-N 1 0 212.293 0.016 10 0 BCAERO CC1(NC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)CCCC1 ZINC000042188041 168058501 /nfs/dbraw/zinc/05/85/01/168058501.db2.gz PCUXTMOHYLESBK-BDAKNGLRSA-N 1 0 212.293 0.158 10 0 BCAERO CC1([NH2+][C@@H]2CC(=O)NC2=O)CCCCC1 ZINC000104899084 168063627 /nfs/dbraw/zinc/06/36/27/168063627.db2.gz KKGJOKOKEIWSQO-MRVPVSSYSA-N 1 0 210.277 0.714 10 0 BCAERO CC1([NH2+][C@H]2CC(=O)NC2=O)CCCCC1 ZINC000045043714 168063659 /nfs/dbraw/zinc/06/36/59/168063659.db2.gz KKGJOKOKEIWSQO-QMMMGPOBSA-N 1 0 210.277 0.714 10 0 BCAERO CC1(c2nc(-c3nc[nH]n3)no2)CC[NH2+]CC1 ZINC000062843223 168073424 /nfs/dbraw/zinc/07/34/24/168073424.db2.gz ZOGWQRPYOUBINY-UHFFFAOYSA-N 1 0 234.263 0.496 10 0 BCAERO CC1=CC(=O)N(C2CCC([NH3+])CC2)C1=O ZINC000053711423 168091910 /nfs/dbraw/zinc/09/19/10/168091910.db2.gz GXJSKXWRKYNUHP-UHFFFAOYSA-N 1 0 208.261 0.571 10 0 BCAERO CC1=CC(=O)N([C@@H](C)[C@@H]2CCC[NH2+]C2)C1=O ZINC000050164323 168092933 /nfs/dbraw/zinc/09/29/33/168092933.db2.gz YFTGTOFDXDICNB-VHSXEESVSA-N 1 0 222.288 0.690 10 0 BCAERO [NH3+][C@H]1CCCN(C(=O)[C@H]2C[C@H]3C[C@H]3C2)C1 ZINC000659248598 411381541 /nfs/dbraw/zinc/38/15/41/411381541.db2.gz KIZILBOPFOJNAV-ZDCRXTMVSA-N 1 0 208.305 0.982 10 0 BCAERO CC1[C@@H](C)N2O[C@@](C)(O)C[C@]2(C)[N+]1=O ZINC000005211377 168139449 /nfs/dbraw/zinc/13/94/49/168139449.db2.gz GYFXRRINFDTQRS-IWSPIJDZSA-N 1 0 200.238 0.422 10 0 BCAERO CC1CC(=O)N([C@@H]2CCC[C@@H]2C[NH3+])C(=O)C1 ZINC000061884309 168139593 /nfs/dbraw/zinc/13/95/93/168139593.db2.gz AOHZFULFTFHXEM-NXEZZACHSA-N 1 0 224.304 0.899 10 0 BCAERO CC1CCC(C[NH3+])(NS(C)(=O)=O)CC1 ZINC000020431692 168153038 /nfs/dbraw/zinc/15/30/38/168153038.db2.gz GBAWKUVSFDTHSW-UHFFFAOYSA-N 1 0 220.338 0.443 10 0 BCAERO CC1CCC(CO)([NH2+][C@@H]2COC[C@@H]2O)CC1 ZINC000053118091 168156245 /nfs/dbraw/zinc/15/62/45/168156245.db2.gz MZKPIRBKTNJKJM-UPOSSJBDSA-N 1 0 229.320 0.277 10 0 BCAERO C[C@@H](O)C[NH2+]C1(CO)CCC(C)CC1 ZINC000053118112 168156956 /nfs/dbraw/zinc/15/69/56/168156956.db2.gz XFIZSAZSERPUSB-HSOILSAZSA-N 1 0 201.310 0.898 10 0 BCAERO CC1CCC([NH2+]CC(=O)NC(N)=O)CC1 ZINC000020050130 168162481 /nfs/dbraw/zinc/16/24/81/168162481.db2.gz SAKWHNTWICYRKX-UHFFFAOYSA-N 1 0 213.281 0.350 10 0 BCAERO CC1CCC([NH2+][C@@H]2CS(=O)(=O)C[C@@H]2O)CC1 ZINC000037487534 168164275 /nfs/dbraw/zinc/16/42/75/168164275.db2.gz UYQBPLFXJIFTCX-LXKPXOPUSA-N 1 0 247.360 0.313 10 0 BCAERO CC1CCC2(CC1)NC(=O)N(CC[NH3+])C2=O ZINC000019277676 168169965 /nfs/dbraw/zinc/16/99/65/168169965.db2.gz WCQLBHHWDCYPFT-UHFFFAOYSA-N 1 0 225.292 0.446 10 0 BCAERO CC1CCN(C(=O)CCN2CC[NH2+]CC2)CC1 ZINC000020270013 168171077 /nfs/dbraw/zinc/17/10/77/168171077.db2.gz TXXIVWZWEYYFLR-UHFFFAOYSA-N 1 0 239.363 0.540 10 0 BCAERO C[C@@H]([NH3+])CS(=O)(=O)N1CCC(C)CC1 ZINC000041234329 168183731 /nfs/dbraw/zinc/18/37/31/168183731.db2.gz SNSUXTGLTMSSBA-SECBINFHSA-N 1 0 220.338 0.395 10 0 BCAERO CC1CCN(S(=O)(=O)C2CC[NH2+]CC2)CC1 ZINC000049631812 168184164 /nfs/dbraw/zinc/18/41/64/168184164.db2.gz WBACFBIBAACUFZ-UHFFFAOYSA-N 1 0 246.376 0.800 10 0 BCAERO CC1CCN(S(=O)(=O)CCC[NH3+])CC1 ZINC000020180066 168184234 /nfs/dbraw/zinc/18/42/34/168184234.db2.gz QVMAKSRPRNJWAE-UHFFFAOYSA-N 1 0 220.338 0.397 10 0 BCAERO CCC(=O)N1CCCN(C(=O)CCC[NH3+])CC1 ZINC000038101570 168217618 /nfs/dbraw/zinc/21/76/18/168217618.db2.gz BJEUJIOYCHZLEA-UHFFFAOYSA-N 1 0 241.335 0.196 10 0 BCAERO CCOCCC[N@@H+]1CC[C@H]2OCCN[C@@H]2C1 ZINC000404204227 411382734 /nfs/dbraw/zinc/38/27/34/411382734.db2.gz RKZSIYYBHJIGJU-VXGBXAGGSA-N 1 0 228.336 0.476 10 0 BCAERO c1nc(CN2CC[C@H]3OCC[NH2+][C@H]3C2)cs1 ZINC000404204296 411383160 /nfs/dbraw/zinc/38/31/60/411383160.db2.gz RNMCNAKUJNDYAE-WDEREUQCSA-N 1 0 239.344 0.706 10 0 BCAERO CCOCCC[N@@H+]1CC[C@@H]2OCCN[C@@H]2C1 ZINC000404204222 411383230 /nfs/dbraw/zinc/38/32/30/411383230.db2.gz RKZSIYYBHJIGJU-NEPJUHHUSA-N 1 0 228.336 0.476 10 0 BCAERO CCC(C)(C)NC(=O)C[NH2+][C@@H]1CCC(=O)NC1 ZINC000104344739 168290742 /nfs/dbraw/zinc/29/07/42/168290742.db2.gz JOJXWAMBJUKEGI-SECBINFHSA-N 1 0 241.335 0.159 10 0 BCAERO CCC(C)(C)NS(=O)(=O)C1CC[NH2+]CC1 ZINC000049631862 168298913 /nfs/dbraw/zinc/29/89/13/168298913.db2.gz GCGOQTKGMGXIMB-UHFFFAOYSA-N 1 0 234.365 0.846 10 0 BCAERO [NH3+]C1(C(=O)NCC2=CCCC2)CCOCC1 ZINC000659380059 411395037 /nfs/dbraw/zinc/39/50/37/411395037.db2.gz WFPVRLQBXDFSHA-UHFFFAOYSA-N 1 0 224.304 0.721 10 0 BCAERO COC[C@H](CCNC(=O)[C@@H]1C[NH2+]C[C@H]1C)OC ZINC000659338559 411398493 /nfs/dbraw/zinc/39/84/93/411398493.db2.gz XZHCRIMZPGSNSB-OUAUKWLOSA-N 1 0 244.335 0.010 10 0 BCAERO COC[C@H](CCNC(=O)[C@@H]1CC[C@@H]([NH3+])C1)OC ZINC000659338275 411398970 /nfs/dbraw/zinc/39/89/70/411398970.db2.gz WNFUOKABCSPFCY-MXWKQRLJSA-N 1 0 244.335 0.282 10 0 BCAERO C[NH2+][C@H](C)C(=O)NCc1ccncc1C ZINC000129836573 411399555 /nfs/dbraw/zinc/39/95/55/411399555.db2.gz FNVKGCSORGOBEI-SECBINFHSA-N 1 0 207.277 0.614 10 0 BCAERO CO[C@@H](C)CNC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000659344605 411400963 /nfs/dbraw/zinc/40/09/63/411400963.db2.gz AEGCPUUDQOLWRY-LPEHRKFASA-N 1 0 214.309 0.513 10 0 BCAERO CC(C)(F)CCNC(=O)[C@H]1CC[NH2+]C1 ZINC000659359948 411401833 /nfs/dbraw/zinc/40/18/33/411401833.db2.gz XQWVGTUAJDMJLL-QMMMGPOBSA-N 1 0 202.273 0.850 10 0 BCAERO C[C@H]1CCC[C@H](CNC(=O)[C@@H]2CC[NH2+]C2)O1 ZINC000659360080 411402818 /nfs/dbraw/zinc/40/28/18/411402818.db2.gz ADZHZUZSPQIVIW-HBNTYKKESA-N 1 0 226.320 0.670 10 0 BCAERO CCOC(=O)[C@@H]1C[NH2+]CCN1C(C)(C)C ZINC000616637218 411407313 /nfs/dbraw/zinc/40/73/13/411407313.db2.gz JPJHPLPHEGOBFJ-VIFPVBQESA-N 1 0 214.309 0.622 10 0 BCAERO COCCN(C)C[C@H](O)C[N@@H+]1C[C@H]2CCC[C@H]21 ZINC000653584480 411425185 /nfs/dbraw/zinc/42/51/85/411425185.db2.gz YSCIIGOMTJKOEW-FRRDWIJNSA-N 1 0 242.363 0.410 10 0 BCAERO [NH3+][C@@H]1CCC[C@H]1CC(=O)N[C@H]1CCC[C@@H](O)C1 ZINC000405404696 411427161 /nfs/dbraw/zinc/42/71/61/411427161.db2.gz XHOSATCGUKKMOF-NNYUYHANSA-N 1 0 240.347 0.924 10 0 BCAERO CCN(C[C@H](C)C[NH3+])c1cc(C)nc2ncnn21 ZINC000042442147 169889946 /nfs/dbraw/zinc/88/99/46/169889946.db2.gz PUVRLKSPGNLHHS-SECBINFHSA-N 1 0 248.334 0.854 10 0 BCAERO C[C@H](O)CCNC(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000647922216 411433113 /nfs/dbraw/zinc/43/31/13/411433113.db2.gz AEMLIIRSCYIQMZ-JGVFFNPUSA-N 1 0 236.262 0.118 10 0 BCAERO Cn1ccc(C(=O)CC2CC[NH2+]CC2)n1 ZINC000231992233 411434805 /nfs/dbraw/zinc/43/48/05/411434805.db2.gz YTCTYLXUWRGUGJ-UHFFFAOYSA-N 1 0 207.277 0.993 10 0 BCAERO CCC[C@H](C)NC(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000131191672 411439248 /nfs/dbraw/zinc/43/92/48/411439248.db2.gz WSLUXIVFGFRNBK-NSHDSACASA-N 1 0 241.379 0.975 10 0 BCAERO CC[C@H](C)[C@@H]([NH3+])C(=O)N(C)Cc1nc[nH]n1 ZINC000070819145 411533151 /nfs/dbraw/zinc/53/31/51/411533151.db2.gz DNJYONGLWFUJIZ-IONNQARKSA-N 1 0 225.296 0.137 10 0 BCAERO [NH3+]Cc1cc(C(=O)N[C@@H]2CCC[C@@H](O)C2)ccn1 ZINC000130012472 411481610 /nfs/dbraw/zinc/48/16/10/411481610.db2.gz QMXNAHAAHIOPJP-ZYHUDNBSSA-N 1 0 249.314 0.574 10 0 BCAERO COCCOC[C@H](O)C[NH2+][C@H](C)[C@H]1CCCO1 ZINC000300258397 411489078 /nfs/dbraw/zinc/48/90/78/411489078.db2.gz HZYKCCWJAKPEJE-IJLUTSLNSA-N 1 0 247.335 0.167 10 0 BCAERO O=C1CC[C@@H](C[N@H+]2CCC[C@H]2CCCO)N1 ZINC000300331858 411489486 /nfs/dbraw/zinc/48/94/86/411489486.db2.gz CBZFRBXMGNQTQG-QWRGUYRKSA-N 1 0 226.320 0.502 10 0 BCAERO C[C@]1(C(=O)Nc2cc[nH]n2)CCCC[NH2+]1 ZINC000127501774 411492168 /nfs/dbraw/zinc/49/21/68/411492168.db2.gz QABZQAPVIHQSJU-SNVBAGLBSA-N 1 0 208.265 0.880 10 0 BCAERO CCOC(=O)[C@@H]1C[NH2+]C[C@]12CCO[C@@H]2C ZINC000229217704 411497276 /nfs/dbraw/zinc/49/72/76/411497276.db2.gz XEKMINNZPMEXOO-YWVKMMECSA-N 1 0 213.277 0.564 10 0 BCAERO C[NH+](C)C[C@@H]1CC[N@@H+]([C@@H]2CCC[C@H]2O)C1 ZINC000659925445 411500382 /nfs/dbraw/zinc/50/03/82/411500382.db2.gz JHTINTNQHHNGQN-QJPTWQEYSA-N 1 0 212.337 0.783 10 0 BCAERO C[C@@H]1SCC[C@@H]1NC(=O)[C@H]1CC[NH2+]C1 ZINC000306241738 411508806 /nfs/dbraw/zinc/50/88/06/411508806.db2.gz MPRLLFAJUPNJSG-CIUDSAMLSA-N 1 0 214.334 0.606 10 0 BCAERO C[C@H](N[C@@H]1C[N@H+](C)C[C@H]1C)c1nncn1C ZINC000336750747 411510912 /nfs/dbraw/zinc/51/09/12/411510912.db2.gz UWTKQBQWGSMAPI-KXUCPTDWSA-N 1 0 223.324 0.416 10 0 BCAERO CCN1CCN(C(=O)[C@@H]2CCC[NH2+][C@H]2C)CC1 ZINC000094646927 169985951 /nfs/dbraw/zinc/98/59/51/169985951.db2.gz YVEACNMOXWLFBK-NWDGAFQWSA-N 1 0 239.363 0.539 10 0 BCAERO CCN1CC[C@H](C[NH2+]C2CCS(=O)CC2)C1 ZINC000042353636 170015813 /nfs/dbraw/zinc/01/58/13/170015813.db2.gz YDYWSAKNNOSYBJ-OPGSHWCFSA-N 1 0 244.404 0.829 10 0 BCAERO C[C@@H]1C[C@H]([NH2+][C@@H]2CCNC2=O)C[C@H](C)O1 ZINC000657524026 411540457 /nfs/dbraw/zinc/54/04/57/411540457.db2.gz OWRGNYCVTWPDGE-XFWSIPNHSA-N 1 0 212.293 0.421 10 0 BCAERO CCNC(=O)C(C)(C)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000182664248 170043050 /nfs/dbraw/zinc/04/30/50/170043050.db2.gz JTTUPSFGORPJSU-VIFPVBQESA-N 1 0 241.335 0.017 10 0 BCAERO CCNC(=O)C1CCN(C(=O)[C@H]([NH3+])CC)CC1 ZINC000037819037 170043541 /nfs/dbraw/zinc/04/35/41/170043541.db2.gz JFWMPLCUMIOYOA-SNVBAGLBSA-N 1 0 241.335 0.098 10 0 BCAERO CCNC(=O)CN(C)C[C@H](C[NH3+])c1ccccc1 ZINC000049726182 170054019 /nfs/dbraw/zinc/05/40/19/170054019.db2.gz CKVWPYGGQHOSLC-ZDUSSCGKSA-N 1 0 249.358 0.797 10 0 BCAERO CCNC(=O)CN(CC)CC[C@H]1CCCC[NH2+]1 ZINC000042369473 170056835 /nfs/dbraw/zinc/05/68/35/170056835.db2.gz IAKQNTLEZYLFLH-GFCCVEGCSA-N 1 0 241.379 0.977 10 0 BCAERO CCNC(=O)CN1CCCC[C@@H]1[C@H](C)[NH2+]CC ZINC000104426453 170059073 /nfs/dbraw/zinc/05/90/73/170059073.db2.gz XFQQGPBEAXTYMR-NWDGAFQWSA-N 1 0 241.379 0.975 10 0 BCAERO CCNC(=O)CNC(=O)[C@@]1(CC)CCC[NH2+]C1 ZINC000062853994 170062786 /nfs/dbraw/zinc/06/27/86/170062786.db2.gz YUUGFBLXUHKTMH-LBPRGKRZSA-N 1 0 241.335 0.019 10 0 BCAERO CCNC(=O)CNC(=O)[C@@H]1CCC[C@H]([NH3+])[C@@H]1C ZINC000055125759 170062949 /nfs/dbraw/zinc/06/29/49/170062949.db2.gz OEMJFDPBTZFUSR-BBBLOLIVSA-N 1 0 241.335 0.002 10 0 BCAERO CCNC(=O)CNC(=O)[C@H]1CCC[C@H]([NH3+])[C@@H]1C ZINC000055125760 170063845 /nfs/dbraw/zinc/06/38/45/170063845.db2.gz OEMJFDPBTZFUSR-UTLUCORTSA-N 1 0 241.335 0.002 10 0 BCAERO CCNC(=O)C[NH2+]C[C@H](O)c1ccc(F)cc1 ZINC000037892024 170064806 /nfs/dbraw/zinc/06/48/06/170064806.db2.gz QNZVWECODRJXCL-NSHDSACASA-N 1 0 240.278 0.585 10 0 BCAERO CCNC(=O)C[NH2+]C[C@@H]1Cc2ccccc2O1 ZINC000038009960 170065100 /nfs/dbraw/zinc/06/51/00/170065100.db2.gz BKMVBWNQMMDIQE-NSHDSACASA-N 1 0 234.299 0.716 10 0 BCAERO CCNC(=O)C[NH2+][C@@H]1CCCCC[C@H]1O ZINC000037892081 170065945 /nfs/dbraw/zinc/06/59/45/170065945.db2.gz OZAKJQHQJUBMQX-NXEZZACHSA-N 1 0 214.309 0.406 10 0 BCAERO CCNC(=O)C[NH2+][C@H]1CCCC[C@@H]1O ZINC000037691523 170066142 /nfs/dbraw/zinc/06/61/42/170066142.db2.gz XFLBJMOCMLBSQD-IUCAKERBSA-N 1 0 200.282 0.016 10 0 BCAERO CCNC(=O)[C@H](C)N1[C@@H]2CCC[C@H]1CC([NH3+])C2 ZINC000054602901 170092668 /nfs/dbraw/zinc/09/26/68/170092668.db2.gz CVNGEOBSTVMLAU-YEJSDXFRSA-N 1 0 239.363 0.855 10 0 BCAERO CCNC(=O)[C@H](C)NC(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000226736342 170094109 /nfs/dbraw/zinc/09/41/09/170094109.db2.gz UUDZFDNHVXCTAA-LPEHRKFASA-N 1 0 241.335 0.145 10 0 BCAERO CCNC(=O)[C@H](C)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000049565267 170096194 /nfs/dbraw/zinc/09/61/94/170096194.db2.gz GMAZLQIXCKMOBR-SDDRHHMPSA-N 1 0 239.363 0.727 10 0 BCAERO CC[NH2+]C(C)(C)C(=O)N1CCCC[C@H]1CO ZINC000061289493 170106442 /nfs/dbraw/zinc/10/64/42/170106442.db2.gz USMONTOKZBUDNG-JTQLQIEISA-N 1 0 228.336 0.748 10 0 BCAERO CC[NH2+]C(C)(C)C(=O)N1CCOC[C@H]1C ZINC000061289292 170106714 /nfs/dbraw/zinc/10/67/14/170106714.db2.gz RQGPRNQQEKHOGQ-SECBINFHSA-N 1 0 214.309 0.622 10 0 BCAERO CC[NH2+]C(C)(C)C(=O)Nc1ccnn1C ZINC000061299206 170106991 /nfs/dbraw/zinc/10/69/91/170106991.db2.gz WAYSIBRBJOWGSZ-UHFFFAOYSA-N 1 0 210.281 0.747 10 0 BCAERO CC[NH2+]C1CCN([C@H](C)C(=O)NC2CC2)CC1 ZINC000037536999 170109074 /nfs/dbraw/zinc/10/90/74/170109074.db2.gz JRFHGLZTFHDKPF-SNVBAGLBSA-N 1 0 239.363 0.727 10 0 BCAERO CC[NH2+]C1CCN(c2nccn2C)CC1 ZINC000050605014 170109387 /nfs/dbraw/zinc/10/93/87/170109387.db2.gz ONAMVIOGDNLZBZ-UHFFFAOYSA-N 1 0 208.309 0.998 10 0 BCAERO CC[NH2+]C1CCN([C@@H](C)C(=O)NC)CC1 ZINC000037469363 170109628 /nfs/dbraw/zinc/10/96/28/170109628.db2.gz FFRLMTYVTAWNNE-VIFPVBQESA-N 1 0 213.325 0.195 10 0 BCAERO CC[NH2+]CC1(S(C)(=O)=O)CCOCC1 ZINC000053737711 170111374 /nfs/dbraw/zinc/11/13/74/170111374.db2.gz VCKVMBPPTWYXSR-UHFFFAOYSA-N 1 0 221.322 0.190 10 0 BCAERO CC[NH2+]CCC(=O)N1CCC(C(=O)OC)CC1 ZINC000061288115 170111589 /nfs/dbraw/zinc/11/15/89/170111589.db2.gz RAJGIKZETIZKKA-UHFFFAOYSA-N 1 0 242.319 0.398 10 0 BCAERO CC[NH2+]CCC(=O)N1CCO[C@H]2CCC[C@@H]21 ZINC000061299161 170111727 /nfs/dbraw/zinc/11/17/27/170111727.db2.gz DEFOJOSMECUGJX-QWRGUYRKSA-N 1 0 226.320 0.766 10 0 BCAERO CC[NH2+]CCC(=O)N1CCO[C@@H](C)C1 ZINC000061278560 170112151 /nfs/dbraw/zinc/11/21/51/170112151.db2.gz GIEBMIHYIQSTFM-VIFPVBQESA-N 1 0 200.282 0.233 10 0 BCAERO CC[NH2+]CCCNc1ncnc2c1cnn2C ZINC000038043389 170112629 /nfs/dbraw/zinc/11/26/29/170112629.db2.gz FYPKWTQQAJCRDJ-UHFFFAOYSA-N 1 0 234.307 0.775 10 0 BCAERO CC[NH2+]CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000105222914 170113356 /nfs/dbraw/zinc/11/33/56/170113356.db2.gz UHMHFZDTYOGOME-AOOOYVTPSA-N 1 0 224.304 0.771 10 0 BCAERO CC[NH2+]CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000105222903 170113302 /nfs/dbraw/zinc/11/33/02/170113302.db2.gz MZBHWIONVMEGNH-AOOOYVTPSA-N 1 0 222.288 0.547 10 0 BCAERO CC[NH2+]C[C@@H](C)C(=O)N1CCCOCC1 ZINC000061920613 170118292 /nfs/dbraw/zinc/11/82/92/170118292.db2.gz JSKXSBUSBTXIMG-SNVBAGLBSA-N 1 0 214.309 0.481 10 0 BCAERO CC[NH2+]C[C@@H](O)COc1ccc(C(N)=O)cc1 ZINC000036951133 170119317 /nfs/dbraw/zinc/11/93/17/170119317.db2.gz WWIODLPRKPLVGN-SNVBAGLBSA-N 1 0 238.287 0.135 10 0 BCAERO CC[NH2+]C[C@@H]1CCCN1c1ncnc2nc[nH]c21 ZINC000053696411 170120492 /nfs/dbraw/zinc/12/04/92/170120492.db2.gz UTWQAIBKQFVDAU-VIFPVBQESA-N 1 0 246.318 0.931 10 0 BCAERO CC[NH2+]C[C@@]1([C@@H]2CCS(=O)(=O)C2)CCOC1 ZINC000054664219 170121311 /nfs/dbraw/zinc/12/13/11/170121311.db2.gz OYRILTORYKSIFQ-MNOVXSKESA-N 1 0 247.360 0.437 10 0 BCAERO CC[NH2+]C[C@H](C)C(=O)NCCc1nccn1C ZINC000061266933 170121811 /nfs/dbraw/zinc/12/18/11/170121811.db2.gz XWLIUNMZXJOSOL-JTQLQIEISA-N 1 0 238.335 0.324 10 0 BCAERO CC[NH2+]C[C@H]1CCCN1CCN1CCOCC1 ZINC000053648478 170122329 /nfs/dbraw/zinc/12/23/29/170122329.db2.gz MVSLVYGSJWYVPL-CYBMUJFWSA-N 1 0 241.379 0.393 10 0 BCAERO CC[NH2+]C[C@H]1CCN(c2cnn(C)c2)C1 ZINC000053031193 170123826 /nfs/dbraw/zinc/12/38/26/170123826.db2.gz BIEQXKBFYSQNCK-SNVBAGLBSA-N 1 0 208.309 0.856 10 0 BCAERO CC[NH2+]Cc1nccn1CC(=O)NCC(C)C ZINC000051005004 170131184 /nfs/dbraw/zinc/13/11/84/170131184.db2.gz LVQXYGFFDIBSTB-UHFFFAOYSA-N 1 0 238.335 0.765 10 0 BCAERO CC[NH2+][C@@H](C)CC(=O)N1CCn2ccnc2C1 ZINC000062254514 170139307 /nfs/dbraw/zinc/13/93/07/170139307.db2.gz COWCGGKJCMOKNQ-JTQLQIEISA-N 1 0 236.319 0.613 10 0 BCAERO CC[NH2+][C@@H](C)Cc1nnc2ncccn12 ZINC000061212786 170140164 /nfs/dbraw/zinc/14/01/64/170140164.db2.gz MYPIUKNJGVNGQJ-QMMMGPOBSA-N 1 0 205.265 0.665 10 0 BCAERO CC[NH2+][C@@H](C)C[C@H]1CCS(=O)(=O)C1 ZINC000038085319 170140311 /nfs/dbraw/zinc/14/03/11/170140311.db2.gz UKHFFNYUQBDGOD-DTWKUNHWSA-N 1 0 205.323 0.809 10 0 BCAERO CC[NH2+][C@@H](C)Cc1nnc2cnccn21 ZINC000061212778 170140342 /nfs/dbraw/zinc/14/03/42/170140342.db2.gz FOAAICDFJWSMCC-QMMMGPOBSA-N 1 0 205.265 0.665 10 0 BCAERO CC[NH2+][C@@H](CCN1CC[C@H]([NH+](C)C)C1)C(=O)[O-] ZINC000062968727 170145491 /nfs/dbraw/zinc/14/54/91/170145491.db2.gz PSWBTHQUUJHRAH-QWRGUYRKSA-N 1 0 243.351 0.075 10 0 BCAERO CC[NH2+][C@@H]1CC(=O)N(c2ccccc2)C1=O ZINC000102668087 170149071 /nfs/dbraw/zinc/14/90/71/170149071.db2.gz LLDDFSKPDYFVTG-SNVBAGLBSA-N 1 0 218.256 0.928 10 0 BCAERO CC[NH2+][C@@H]1CCN(C2CCOCC2)C1=O ZINC000049648249 170151547 /nfs/dbraw/zinc/15/15/47/170151547.db2.gz RWGVQHPRUAEBQP-SNVBAGLBSA-N 1 0 212.293 0.376 10 0 BCAERO CC[NH2+][C@@H]1CCN(C2CCS(=O)(=O)CC2)C1 ZINC000036332129 170152140 /nfs/dbraw/zinc/15/21/40/170152140.db2.gz KHBVXPVKWDKLGF-SNVBAGLBSA-N 1 0 246.376 0.247 10 0 BCAERO CCN[C@@](C)(CC[N@H+](C)C[C@@H]1C[C@@H]1C)C(N)=O ZINC000104428652 170154774 /nfs/dbraw/zinc/15/47/74/170154774.db2.gz QUAOIRMUKQEBTQ-GVXVVHGQSA-N 1 0 241.379 0.818 10 0 BCAERO CC[NH2+][C@H](C)CC(=O)N1CCC[C@H]1C(=O)NC ZINC000061272816 170156765 /nfs/dbraw/zinc/15/67/65/170156765.db2.gz ZSLDSQWBHFATAE-ZJUUUORDSA-N 1 0 241.335 0.112 10 0 BCAERO CC[NH2+][C@H](C)CC(=O)N1CCNC(=O)[C@H]1CC ZINC000104142637 170156906 /nfs/dbraw/zinc/15/69/06/170156906.db2.gz GSOSVCDGAOLVTR-NXEZZACHSA-N 1 0 241.335 0.112 10 0 BCAERO CC[NH2+][C@H](C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000043301164 170160944 /nfs/dbraw/zinc/16/09/44/170160944.db2.gz CMGVQUDYBFFBRH-VHSXEESVSA-N 1 0 217.334 0.809 10 0 BCAERO CC[NH2+][C@H](CCOC[C@@H]1CCCCO1)C(N)=O ZINC000062544723 170161944 /nfs/dbraw/zinc/16/19/44/170161944.db2.gz CNLZDUVRQLIERQ-WDEREUQCSA-N 1 0 244.335 0.426 10 0 BCAERO CC[NH2+][C@H](CCn1nc(C)c(C)c1C)C(N)=O ZINC000062536611 170162563 /nfs/dbraw/zinc/16/25/63/170162563.db2.gz DJMUNXHHCXYOGA-LLVKDONJSA-N 1 0 238.335 0.662 10 0 BCAERO CC[NH2+][C@H]1CCOC[C@H]1N1CCN(C)CC1 ZINC000043810899 170168795 /nfs/dbraw/zinc/16/87/95/170168795.db2.gz WXQRKOACXDAWHF-NWDGAFQWSA-N 1 0 227.352 0.001 10 0 BCAERO CC[NH2+][C@H]1CCN(c2cnn(CC)c2)C1=O ZINC000049648210 170168936 /nfs/dbraw/zinc/16/89/36/170168936.db2.gz WVJWHEXWLUECAH-JTQLQIEISA-N 1 0 222.292 0.618 10 0 BCAERO CC[NH2+][C@H]1CCOC[C@@H]1N1CCOCC1 ZINC000043808515 170169083 /nfs/dbraw/zinc/16/90/83/170169083.db2.gz XAKAFOTXXVRUJX-QWRGUYRKSA-N 1 0 214.309 0.086 10 0 BCAERO CCN[C@](C)(C[NH+]1CCC(C)(C)CC1)C(N)=O ZINC000061821973 170170390 /nfs/dbraw/zinc/17/03/90/170170390.db2.gz MFQQZRMYHZWWFR-CYBMUJFWSA-N 1 0 241.379 0.962 10 0 BCAERO CC[NH2+][C@]1(C(N)=O)CCc2ccccc21 ZINC000037869511 170170893 /nfs/dbraw/zinc/17/08/93/170170893.db2.gz RPOUNEINTIHYJY-GFCCVEGCSA-N 1 0 204.273 0.923 10 0 BCAERO CCOC(=O)C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000049503178 170183879 /nfs/dbraw/zinc/18/38/79/170183879.db2.gz DCEUBECCXGQKGG-JTQLQIEISA-N 1 0 242.319 0.540 10 0 BCAERO CCOC(=O)C(C)(C)C(=O)N1CC[NH2+]CC1 ZINC000181328005 170185718 /nfs/dbraw/zinc/18/57/18/170185718.db2.gz WOGWPKABCOVVOF-UHFFFAOYSA-N 1 0 228.292 0.008 10 0 BCAERO CCOC(=O)C1(N)CC[NH+](CC)CC1 ZINC000003678048 170190267 /nfs/dbraw/zinc/19/02/67/170190267.db2.gz OIINVHNEAKGLDQ-UHFFFAOYSA-N 1 0 200.282 0.363 10 0 BCAERO CCOC(=O)C1=CS[C@@H]([C@H]2CCC[NH2+]2)N1 ZINC000100031852 170192306 /nfs/dbraw/zinc/19/23/06/170192306.db2.gz VJUSBXJRXDLBJX-APPZFPTMSA-N 1 0 228.317 0.805 10 0 BCAERO CCOC(=O)CCCNC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000091540733 170202044 /nfs/dbraw/zinc/20/20/44/170202044.db2.gz CMMUUUYKOXUFJF-UWVGGRQHSA-N 1 0 242.319 0.573 10 0 BCAERO CCOC(=O)CC[N@H+](CCOC)[C@@H](C)COC ZINC000042294983 170205139 /nfs/dbraw/zinc/20/51/39/170205139.db2.gz KSPRZDAUWORMKC-NSHDSACASA-N 1 0 247.335 0.923 10 0 BCAERO CCOC(=O)CN(C(=O)C(C)(C)[NH2+]C)C(C)C ZINC000061317878 170212567 /nfs/dbraw/zinc/21/25/67/170212567.db2.gz SSFIESYTPDHJKU-UHFFFAOYSA-N 1 0 244.335 0.785 10 0 BCAERO CCOC(=O)CNC(=O)[C@H]([NH3+])C(C)(C)C ZINC000083348628 170223900 /nfs/dbraw/zinc/22/39/00/170223900.db2.gz CCWYBBRMBBKSRQ-QMMMGPOBSA-N 1 0 216.281 0.039 10 0 BCAERO O[C@@H](C[NH2+][C@H]1CCOC1)COCc1ccco1 ZINC000131536475 411556620 /nfs/dbraw/zinc/55/66/20/411556620.db2.gz LYGKQLFNJWCQMQ-QWRGUYRKSA-N 1 0 241.287 0.536 10 0 BCAERO CCOC(=O)N1CCN(C(=O)C[C@@H](C)[NH3+])CC1 ZINC000038100981 170238988 /nfs/dbraw/zinc/23/89/88/170238988.db2.gz ZJXRBUJUWHVIMO-SECBINFHSA-N 1 0 243.307 0.024 10 0 BCAERO CCOC(=O)N1CCN([C@@H](CC)CC[NH3+])CC1 ZINC000037039446 170239863 /nfs/dbraw/zinc/23/98/63/170239863.db2.gz KECBZHAYLCVGJE-NSHDSACASA-N 1 0 243.351 0.888 10 0 BCAERO CCOC(=O)[C@@H](CC[N@H+](C)CCCOC)NC ZINC000062533599 170250844 /nfs/dbraw/zinc/25/08/44/170250844.db2.gz IYUYOXVXUWPKLS-LLVKDONJSA-N 1 0 246.351 0.496 10 0 BCAERO CCOC(=O)[C@@H](N)C[N@H+](C)C1CCCC1 ZINC000045384452 170252157 /nfs/dbraw/zinc/25/21/57/170252157.db2.gz IBNJEOMBEQVVMQ-JTQLQIEISA-N 1 0 214.309 0.751 10 0 BCAERO CCOC(=O)[C@@H]1CCCCN1C(=O)C[C@@H](C)[NH3+] ZINC000037825338 170257503 /nfs/dbraw/zinc/25/75/03/170257503.db2.gz XACYCVFDZYQETI-ZJUUUORDSA-N 1 0 242.319 0.668 10 0 BCAERO CCOC(=O)[C@H](C)N1CCO[C@H](C[NH+](C)C)C1 ZINC000105924291 170266771 /nfs/dbraw/zinc/26/67/71/170266771.db2.gz ZBLQBNLWSUCDAF-WDEREUQCSA-N 1 0 244.335 0.200 10 0 BCAERO CCOC(=O)[C@H](C)[C@H](C)[NH2+]CC(C)(C)O ZINC000309064255 170269766 /nfs/dbraw/zinc/26/97/66/170269766.db2.gz YKGYXRFWHNTROM-BDAKNGLRSA-N 1 0 217.309 0.935 10 0 BCAERO CCOC(=O)[C@H](N)C[N@H+](C)[C@@H](C)CC ZINC000222930001 170275899 /nfs/dbraw/zinc/27/58/99/170275899.db2.gz PXRUIXZYLRVSLL-DTWKUNHWSA-N 1 0 202.298 0.607 10 0 BCAERO CCOC(=O)[C@H]1CCCCN1C(=O)[C@@H]([NH3+])CC ZINC000037825332 170279552 /nfs/dbraw/zinc/27/95/52/170279552.db2.gz ANDTWUFFCIVFRR-VHSXEESVSA-N 1 0 242.319 0.668 10 0 BCAERO CCOC(=O)[C@](C)(O)C[NH2+][C@@H]1CSC[C@@H]1C ZINC000336779131 170285110 /nfs/dbraw/zinc/28/51/10/170285110.db2.gz NGLCCUVNHUYGGC-IQJOONFLSA-N 1 0 247.360 0.642 10 0 BCAERO CCOC(=O)c1cc(OC)nc(CC[NH3+])n1 ZINC000095757405 170292989 /nfs/dbraw/zinc/29/29/89/170292989.db2.gz QDAUIAMATYZLRY-UHFFFAOYSA-N 1 0 225.248 0.163 10 0 BCAERO CCOC(=O)c1cccnc1N(C)CC[NH3+] ZINC000054419457 170299844 /nfs/dbraw/zinc/29/98/44/170299844.db2.gz WJWIPGMIZHZXTJ-UHFFFAOYSA-N 1 0 223.276 0.653 10 0 BCAERO CCOC(=O)c1ccccc1NC(=O)C[NH3+] ZINC000011957276 170299985 /nfs/dbraw/zinc/29/99/85/170299985.db2.gz WNZRABBMDJRTLJ-UHFFFAOYSA-N 1 0 222.244 0.761 10 0 BCAERO CCOCC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000113163092 170341103 /nfs/dbraw/zinc/34/11/03/170341103.db2.gz BCIATNIQMJLEOI-SNVBAGLBSA-N 1 0 212.293 0.330 10 0 BCAERO CCOCC(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040740662 170343337 /nfs/dbraw/zinc/34/33/37/170343337.db2.gz UGJFPCYPZMJZDR-ULKQDVFKSA-N 1 0 212.293 0.422 10 0 BCAERO CCOCCC[N@@H+]1C[C@H](OC)C[C@@H]1CO ZINC000308843450 170376592 /nfs/dbraw/zinc/37/65/92/170376592.db2.gz ODXOMIXXOMMTAF-GHMZBOCLSA-N 1 0 217.309 0.495 10 0 BCAERO CCOCCC[NH2+][C@@H](C)C(=O)NCCCOC ZINC000034938521 170381536 /nfs/dbraw/zinc/38/15/36/170381536.db2.gz DZOPFOBSQFTBCJ-NSHDSACASA-N 1 0 246.351 0.544 10 0 BCAERO CCOCCN(CC)C(=O)[C@@H](C)C1C[NH2+]C1 ZINC000129244613 170393774 /nfs/dbraw/zinc/39/37/74/170393774.db2.gz DTRZLTKHQNQFSR-JTQLQIEISA-N 1 0 228.336 0.727 10 0 BCAERO CCOCCN(CC)C(=O)[C@H](C)C1C[NH2+]C1 ZINC000129244841 170393864 /nfs/dbraw/zinc/39/38/64/170393864.db2.gz DTRZLTKHQNQFSR-SNVBAGLBSA-N 1 0 228.336 0.727 10 0 BCAERO CC[N@@H+]1CCO[C@H](Nc2cc[nH]n2)CC1 ZINC000616684042 411634626 /nfs/dbraw/zinc/63/46/26/411634626.db2.gz ANYXIDVORRCVBJ-JTQLQIEISA-N 1 0 210.281 0.890 10 0 BCAERO CC[N@@H+]1CCOC[C@H](Nc2cc[nH]n2)C1 ZINC000616658294 411636236 /nfs/dbraw/zinc/63/62/36/411636236.db2.gz CWFWKJIKYFYIIW-SECBINFHSA-N 1 0 210.281 0.542 10 0 BCAERO CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(NC)nc2)C1 ZINC000389603602 411636414 /nfs/dbraw/zinc/63/64/14/411636414.db2.gz VGCVAAWLKJOCKT-LLVKDONJSA-N 1 0 248.330 0.947 10 0 BCAERO CC[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC(=O)N(C)C2)CO1 ZINC000657696344 411581257 /nfs/dbraw/zinc/58/12/57/411581257.db2.gz HREMEWLHYSNOQM-HBNTYKKESA-N 1 0 226.320 0.622 10 0 BCAERO CN1C[C@H](C[NH2+]Cc2cnc3n2CCC3)CC1=O ZINC000657696698 411581281 /nfs/dbraw/zinc/58/12/81/411581281.db2.gz LRDMBTSQQRRZLZ-JTQLQIEISA-N 1 0 248.330 0.397 10 0 BCAERO COc1ccc(C[NH2+]C[C@@H]2CC(=O)N(C)C2)cn1 ZINC000657695967 411581315 /nfs/dbraw/zinc/58/13/15/411581315.db2.gz RAGRDUIUMSYRTK-NSHDSACASA-N 1 0 249.314 0.658 10 0 BCAERO CN1C[C@@H](C[NH2+]CC2=CCCOC2)CC1=O ZINC000657697209 411581742 /nfs/dbraw/zinc/58/17/42/411581742.db2.gz NUMKSSCAWWXSEP-LLVKDONJSA-N 1 0 224.304 0.401 10 0 BCAERO COc1cccc(C[NH2+]C[C@@H]2CC(=O)N(C)C2)n1 ZINC000657694293 411582433 /nfs/dbraw/zinc/58/24/33/411582433.db2.gz CBRCHUHXOSEJDK-JTQLQIEISA-N 1 0 249.314 0.658 10 0 BCAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]CCO[C@@H]1CC1(F)F ZINC000660476320 411590327 /nfs/dbraw/zinc/59/03/27/411590327.db2.gz FJJQCMDCRLMQNT-DJLDLDEBSA-N 1 0 248.273 0.667 10 0 BCAERO COc1c(C[NH2+]C2CC(CO)C2)c(C)nn1C ZINC000657812015 411603742 /nfs/dbraw/zinc/60/37/42/411603742.db2.gz BNISGNZJEVGPFV-UHFFFAOYSA-N 1 0 239.319 0.598 10 0 BCAERO CCO[C@@H]1C[C@@H]1C(=O)N(C)[C@H](C)C[NH3+] ZINC000247116565 170485343 /nfs/dbraw/zinc/48/53/43/170485343.db2.gz LZAHXKMKIZOQNI-HRDYMLBCSA-N 1 0 200.282 0.217 10 0 BCAERO CCO[C@@H]1C[C@@H]1C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000246566683 170485718 /nfs/dbraw/zinc/48/57/18/170485718.db2.gz BDCUGPYNPDLMPT-LPEHRKFASA-N 1 0 212.293 0.219 10 0 BCAERO COc1cc(OC)nc(N[C@@H](C)[C@H](C)[NH3+])n1 ZINC000381629585 411708974 /nfs/dbraw/zinc/70/89/74/411708974.db2.gz UZVXSXKHFPKXPW-BQBZGAKWSA-N 1 0 226.280 0.641 10 0 BCAERO CC[NH2+][C@H](C)CNc1nc(OC)ncc1Cl ZINC000387433435 411650709 /nfs/dbraw/zinc/65/07/09/411650709.db2.gz IVMRIPFQADIQJB-SSDOTTSWSA-N 1 0 244.726 1.549 10 0 BCAERO CCOc1ccc(Cn2nnnc2CC[NH3+])cc1 ZINC000077417207 170548826 /nfs/dbraw/zinc/54/88/26/170548826.db2.gz JOAMJRIWAJGHAI-UHFFFAOYSA-N 1 0 247.302 0.621 10 0 BCAERO OCC[NH+]1CCC(Nc2cc[nH]n2)CC1 ZINC000616620294 411688264 /nfs/dbraw/zinc/68/82/64/411688264.db2.gz UWSYSWXCRUPLDA-UHFFFAOYSA-N 1 0 210.281 0.278 10 0 BCAERO CCOc1ccccc1OC[C@H](O)C[NH3+] ZINC000008029009 170596364 /nfs/dbraw/zinc/59/63/64/170596364.db2.gz VXKWVOPELVBBFB-SECBINFHSA-N 1 0 211.261 0.784 10 0 BCAERO CCS(=O)(=O)NCC[NH2+]C1(C(C)C)CC1 ZINC000339500801 170617665 /nfs/dbraw/zinc/61/76/65/170617665.db2.gz AWMNNXMHNAWLBN-UHFFFAOYSA-N 1 0 234.365 0.704 10 0 BCAERO CCSCC(=O)N1CCC([NH3+])CC1 ZINC000020190370 170624869 /nfs/dbraw/zinc/62/48/69/170624869.db2.gz AIAQTFZYUJCFOF-UHFFFAOYSA-N 1 0 202.323 0.689 10 0 BCAERO CCSCC[NH2+][C@@H]1CCC(=O)N[C@@H]1C ZINC000336651119 170637561 /nfs/dbraw/zinc/63/75/61/170637561.db2.gz JLPZQOIGCRVYMR-RKDXNWHRSA-N 1 0 216.350 0.996 10 0 BCAERO CCc1csc(NC[C@@H]2C[NH2+]C[C@H]2O)n1 ZINC000420237962 411783065 /nfs/dbraw/zinc/78/30/65/411783065.db2.gz IIDCGHGEHLTGMP-IONNQARKSA-N 1 0 227.333 0.698 10 0 BCAERO CCOc1nccnc1N[C@@H](C)C[C@H](C)[NH3+] ZINC000578132249 411719937 /nfs/dbraw/zinc/71/99/37/411719937.db2.gz UUBKVQHRUCYKPT-IUCAKERBSA-N 1 0 224.308 1.413 10 0 BCAERO COC(C)(C)CNC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000133516771 411794369 /nfs/dbraw/zinc/79/43/69/411794369.db2.gz AJLJGGGNJAYDPR-ZJUUUORDSA-N 1 0 228.336 0.903 10 0 BCAERO CCn1ccnc(N[C@@H]2CC[C@H](C)[NH2+]C2)c1=O ZINC000630533054 411813370 /nfs/dbraw/zinc/81/33/70/411813370.db2.gz NFPDWTLEGBPDGZ-VHSXEESVSA-N 1 0 236.319 0.816 10 0 BCAERO C[C@@H]([NH3+])C[C@@H](C)Nc1ccc2nncn2n1 ZINC000574989105 411823795 /nfs/dbraw/zinc/82/37/95/411823795.db2.gz FEYXJEDCQPIYQT-HTQZYQBOSA-N 1 0 220.280 0.662 10 0 BCAERO C[C@@H]1C[NH+](CC(C)(C)O)C[C@@H](C)C1O ZINC000661627934 411823799 /nfs/dbraw/zinc/82/37/99/411823799.db2.gz RKVRXNUXRADGTI-RKDXNWHRSA-N 1 0 201.310 0.706 10 0 BCAERO C[C@@H]1C[N@@H+](CC(C)(C)O)C[C@H](C)[C@H]1O ZINC000661627933 411823960 /nfs/dbraw/zinc/82/39/60/411823960.db2.gz RKVRXNUXRADGTI-MYJAWHEDSA-N 1 0 201.310 0.706 10 0 BCAERO C[C@@H]([NH3+])[C@@H](C)Nc1ccc(Br)nn1 ZINC000575582648 411824192 /nfs/dbraw/zinc/82/41/92/411824192.db2.gz FXMRUCSBDGKUFQ-PHDIDXHHSA-N 1 0 245.124 1.387 10 0 BCAERO C[C@@H]([NH3+])[C@H](C)Nc1ccc(Br)nn1 ZINC000575582652 411825312 /nfs/dbraw/zinc/82/53/12/411825312.db2.gz FXMRUCSBDGKUFQ-RITPCOANSA-N 1 0 245.124 1.387 10 0 BCAERO [NH3+]C[C@H]1CCC[C@@H]1C(=O)NCC(F)F ZINC000133737635 411926096 /nfs/dbraw/zinc/92/60/96/411926096.db2.gz QTFFENQHCLUAGV-RQJHMYQMSA-N 1 0 206.236 0.743 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)NCC1(CO)CC1 ZINC000133740567 411928347 /nfs/dbraw/zinc/92/83/47/411928347.db2.gz LCWGCYHUCKDMIV-VHSXEESVSA-N 1 0 226.320 0.250 10 0 BCAERO CC[C@@H](C[NH3+])N1C(=O)CC(C)(C)CC1=O ZINC000082383942 170822296 /nfs/dbraw/zinc/82/22/96/170822296.db2.gz DTDVRIBOPFKOCJ-QMMMGPOBSA-N 1 0 212.293 0.899 10 0 BCAERO CC[C@@H](C[NH2+]C[C@H]1CCCO1)C(N)=O ZINC000083422334 170827797 /nfs/dbraw/zinc/82/77/97/170827797.db2.gz LAQCKXPOGYLUDO-DTWKUNHWSA-N 1 0 200.282 0.267 10 0 BCAERO Nc1ncc2ncn([C@@H]3CCC[NH2+]C3)c2n1 ZINC000575434020 411936768 /nfs/dbraw/zinc/93/67/68/411936768.db2.gz CQHADFORCPRBBQ-SSDOTTSWSA-N 1 0 218.264 0.333 10 0 BCAERO Nc1cc(C2CC[NH+](CCO)CC2)[nH]n1 ZINC000616619119 411939739 /nfs/dbraw/zinc/93/97/39/411939739.db2.gz DPEWYFCAEHARNT-UHFFFAOYSA-N 1 0 210.281 0.164 10 0 BCAERO CC[C@@H](CSC)NC(=O)[C@H]1CCC[NH2+]1 ZINC000163311489 170852511 /nfs/dbraw/zinc/85/25/11/170852511.db2.gz NRSLBXZMHAEXHT-DTWKUNHWSA-N 1 0 216.350 0.996 10 0 BCAERO Nc1n[nH]cc1[C@@H]1CCCCC[N@@H+]1CCO ZINC000616625087 411985436 /nfs/dbraw/zinc/98/54/36/411985436.db2.gz KXAZQZJADKRJRY-JTQLQIEISA-N 1 0 224.308 0.901 10 0 BCAERO Nc1n[nH]cc1[C@H]1CCCC[N@H+](CCO)C1 ZINC000616604890 411986376 /nfs/dbraw/zinc/98/63/76/411986376.db2.gz SVFPGULSAZDTSB-VIFPVBQESA-N 1 0 224.308 0.554 10 0 BCAERO C[C@H](C[C@H]1COCCN1)[NH2+]CC[C@@H]1CCCO1 ZINC000133878357 411993889 /nfs/dbraw/zinc/99/38/89/411993889.db2.gz FVLLKFXNBLTNAZ-AGIUHOORSA-N 1 0 242.363 0.912 10 0 BCAERO C[C@@H]1C[N@H+](CC(C)(C)O)C[C@]1(C)CO ZINC000662133941 411997305 /nfs/dbraw/zinc/99/73/05/411997305.db2.gz HIUHRRBZXYZPTF-MWLCHTKSSA-N 1 0 201.310 0.708 10 0 BCAERO Nc1cc([C@@H]2CCC[N@H+](CCO)C2)[nH]n1 ZINC000616621792 411946993 /nfs/dbraw/zinc/94/69/93/411946993.db2.gz YYTYZGKZKRHCHA-MRVPVSSYSA-N 1 0 210.281 0.164 10 0 BCAERO Nc1cc([C@H]2CCC[N@H+](CCO)CC2)[nH]n1 ZINC000616627690 411950158 /nfs/dbraw/zinc/95/01/58/411950158.db2.gz KTUUYLJGKPTJOK-VIFPVBQESA-N 1 0 224.308 0.554 10 0 BCAERO C[C@@H]1CN(C[C@H]2CCC3(C[NH2+]C3)O2)C[C@@H](C)O1 ZINC000662249427 412047566 /nfs/dbraw/zinc/04/75/66/412047566.db2.gz NKSROFQFLVWHMF-IJLUTSLNSA-N 1 0 240.347 0.617 10 0 BCAERO CC[C@@H]1CC[C@H](C[NH3+])[C@H](N(C)CC(=O)NC)C1 ZINC000037270041 171056097 /nfs/dbraw/zinc/05/60/97/171056097.db2.gz BMDMMPQGKYEUNK-IJLUTSLNSA-N 1 0 241.379 0.818 10 0 BCAERO CC[C@@H]1CN(C(=O)[C@@](C)([NH3+])C2CC2)CCO1 ZINC000037479031 171068057 /nfs/dbraw/zinc/06/80/57/171068057.db2.gz URXCXHGXTPHFNX-PWSUYJOCSA-N 1 0 226.320 0.751 10 0 BCAERO CC[C@@H]1COCCN1C(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000227882559 171103816 /nfs/dbraw/zinc/10/38/16/171103816.db2.gz OORPDMJHLFXBIN-GMTAPVOTSA-N 1 0 226.320 0.751 10 0 BCAERO CC[C@@H]1COCCN1C(=O)[C@@H]([NH3+])C(C)(C)C ZINC000040461837 171104363 /nfs/dbraw/zinc/10/43/63/171104363.db2.gz LXWXUDWTZOSIRR-NXEZZACHSA-N 1 0 228.336 0.997 10 0 BCAERO CC[C@@H]1COCCN1C1(C[NH3+])CCOCC1 ZINC000036325932 171105746 /nfs/dbraw/zinc/10/57/46/171105746.db2.gz BGRWHPZGNMXSBS-LLVKDONJSA-N 1 0 228.336 0.605 10 0 BCAERO CC(C)(C)[C@@H](O)CNC(=O)CC[C@@H]1CC[NH2+]C1 ZINC000324480421 487621779 /nfs/dbraw/zinc/62/17/79/487621779.db2.gz CRYKPCBDVATPQJ-MNOVXSKESA-N 1 0 242.363 0.899 10 0 BCAERO CC[C@@](C)(C[NH3+])N1CCn2ccnc2C1 ZINC000062249343 171167603 /nfs/dbraw/zinc/16/76/03/171167603.db2.gz DFZAONRFTZCSPI-NSHDSACASA-N 1 0 208.309 0.826 10 0 BCAERO CC[C@@](C)([NH2+]CCC[NH+](C)C)C(=O)[O-] ZINC000041764956 171173992 /nfs/dbraw/zinc/17/39/92/171173992.db2.gz YFQDOIJOWRTONF-SNVBAGLBSA-N 1 0 202.298 0.781 10 0 BCAERO CC[C@@](C)(O)C[NH+]1CCN(C(C)=O)CC1 ZINC000119400865 171177400 /nfs/dbraw/zinc/17/74/00/171177400.db2.gz NVUDKHIUYBLCNS-LLVKDONJSA-N 1 0 214.309 0.312 10 0 BCAERO CC[C@@](C)(O)C[NH+]1CCN(CC(C)(C)O)CC1 ZINC000119422820 171177537 /nfs/dbraw/zinc/17/75/37/171177537.db2.gz NMLHTLQEEBHWOD-CYBMUJFWSA-N 1 0 244.379 0.536 10 0 BCAERO CC[C@@]1(C(=O)NCc2cc[nH]n2)CCC[NH2+]C1 ZINC000062859637 171195973 /nfs/dbraw/zinc/19/59/73/171195973.db2.gz IUEUCQAOBWLOTB-GFCCVEGCSA-N 1 0 236.319 0.806 10 0 BCAERO CC[C@@]1(C(=O)NCc2cc(C)on2)CC[NH2+]C1 ZINC000062902613 171196497 /nfs/dbraw/zinc/19/64/97/171196497.db2.gz MEHAQRFQZJLPMA-GFCCVEGCSA-N 1 0 237.303 0.989 10 0 BCAERO CC[C@H](C(N)=O)N1CCCC[C@@H]1C[NH2+]C1CC1 ZINC000104426320 171243920 /nfs/dbraw/zinc/24/39/20/171243920.db2.gz LHJXDNKTBKJKEW-VXGBXAGGSA-N 1 0 239.363 0.857 10 0 BCAERO CC(C)(C)[C@@H](O)CNC(=O)CC[C@H]1CC[NH2+]C1 ZINC000324480423 487621920 /nfs/dbraw/zinc/62/19/20/487621920.db2.gz CRYKPCBDVATPQJ-QWRGUYRKSA-N 1 0 242.363 0.899 10 0 BCAERO CC[C@H](C)N(C)C(=O)[C@@H](C)N1CC[NH2+]CC1 ZINC000037110773 171303158 /nfs/dbraw/zinc/30/31/58/171303158.db2.gz OBTCVNBPDJKPQH-WDEREUQCSA-N 1 0 227.352 0.537 10 0 BCAERO CC[C@H](C)[N@@H+]1CCC[C@@](O)(C(N)=O)C1 ZINC000306972275 171317891 /nfs/dbraw/zinc/31/78/91/171317891.db2.gz UFDMOPXBZXTENN-WPRPVWTQSA-N 1 0 200.282 0.097 10 0 BCAERO CC[C@H](C)[N@@H+]1CCC(O)=C(C(=O)OC)C1 ZINC000049780960 171317930 /nfs/dbraw/zinc/31/79/30/171317930.db2.gz GATXIGUWNLPRCC-DTWKUNHWSA-N 1 0 213.277 0.849 10 0 BCAERO CC[C@H](C)[NH+]1CCN([C@H]2COCC[C@@H]2O)CC1 ZINC000055069472 171318375 /nfs/dbraw/zinc/31/83/75/171318375.db2.gz OZMAJLZKKCKBAT-AVGNSLFASA-N 1 0 242.363 0.552 10 0 BCAERO CC[C@H](C)NC(=O)CC[NH2+]C[C@H](C)C(N)=O ZINC000038014504 171322342 /nfs/dbraw/zinc/32/23/42/171322342.db2.gz PTHMPJBTJHHYEK-IUCAKERBSA-N 1 0 229.324 0.002 10 0 BCAERO CC[C@H](C)NC(=O)C[NH2+]C[C@@H]1CCCOC1 ZINC000038045939 171326482 /nfs/dbraw/zinc/32/64/82/171326482.db2.gz FKPGKCBCRKOMGU-QWRGUYRKSA-N 1 0 228.336 0.917 10 0 BCAERO CC[C@H](C)NC(=O)C[NH2+]C[C@H]1CCCOC1 ZINC000038045941 171326812 /nfs/dbraw/zinc/32/68/12/171326812.db2.gz FKPGKCBCRKOMGU-WDEREUQCSA-N 1 0 228.336 0.917 10 0 BCAERO CC[C@H](C)[NH2+]C1(CO)CCN(C)CC1 ZINC000038116237 171339557 /nfs/dbraw/zinc/33/95/57/171339557.db2.gz KGGVGNNXUQOSSK-JTQLQIEISA-N 1 0 200.326 0.831 10 0 BCAERO CC[C@H](C)[NH2+]CC(=O)N(C)C[C@H](C)C(=O)OC ZINC000037823544 171339597 /nfs/dbraw/zinc/33/95/97/171339597.db2.gz MYUBETHCOBPYJP-UWVGGRQHSA-N 1 0 244.335 0.642 10 0 BCAERO CC[C@H](C)[NH2+]C1(C(=O)[O-])CC[NH2+]CC1 ZINC000040695450 171339661 /nfs/dbraw/zinc/33/96/61/171339661.db2.gz SSGYKBRXMPRAOE-QMMMGPOBSA-N 1 0 200.282 0.581 10 0 BCAERO CC[C@H](C)[NH2+]CC(=O)N1CCO[C@@H](C)C1 ZINC000037395556 171339862 /nfs/dbraw/zinc/33/98/62/171339862.db2.gz HBADNBCQWIWQDI-UWVGGRQHSA-N 1 0 214.309 0.622 10 0 BCAERO CC[C@H](C)[NH2+][C@]1(CO)CN2CCC1CC2 ZINC000038116629 171349844 /nfs/dbraw/zinc/34/98/44/171349844.db2.gz YRKKGSBDRQFXNR-JQWIXIFHSA-N 1 0 212.337 0.831 10 0 BCAERO CC[C@H](C)[C@@H](CN[C@@H]1CC[NH2+]C1)OC ZINC000362975593 171369008 /nfs/dbraw/zinc/36/90/08/171369008.db2.gz GIRBFQDQFOYOBR-HBNTYKKESA-N 1 0 200.326 0.999 10 0 BCAERO CC[C@H](C)[C@@H]([NH3+])C(=O)NCc1cnc(C)cn1 ZINC000061322409 171370612 /nfs/dbraw/zinc/37/06/12/171370612.db2.gz ZRZJYGLPXPEMTN-GZMMTYOYSA-N 1 0 236.319 0.775 10 0 BCAERO CC[C@H](C)[C@@H]([NH3+])C(=O)N[C@H](C(=O)OC)C(C)C ZINC000034963406 171370958 /nfs/dbraw/zinc/37/09/58/171370958.db2.gz FLJWXGYLAKEICP-AEJSXWLSSA-N 1 0 244.335 0.674 10 0 BCAERO CC[C@H](C)[C@H]([NH3+])C(=O)N(C)C1CCOCC1 ZINC000036321028 171393543 /nfs/dbraw/zinc/39/35/43/171393543.db2.gz CTSCTIMWYWZIFZ-ONGXEEELSA-N 1 0 228.336 0.997 10 0 BCAERO CC[C@H](C)[C@H]([NH3+])C(=O)N(C)C[C@H]1CC[N@H+](C)C1 ZINC000071189588 171393553 /nfs/dbraw/zinc/39/35/53/171393553.db2.gz UADINNRIFAAKSJ-SRVKXCTJSA-N 1 0 241.379 0.770 10 0 BCAERO CC[C@H](C)[C@H]([NH3+])C(=O)N(CC(=O)OC)C(C)C ZINC000037812919 171394015 /nfs/dbraw/zinc/39/40/15/171394015.db2.gz IPBRTCACGUQWRM-ONGXEEELSA-N 1 0 244.335 0.770 10 0 BCAERO CC[C@H](C)[C@H]([NH3+])C(=O)NCC(OC)OC ZINC000040832238 171394164 /nfs/dbraw/zinc/39/41/64/171394164.db2.gz XRQMUBDGCVAYNV-CBAPKCEASA-N 1 0 218.297 0.095 10 0 BCAERO CC[C@H](C)[C@H]([NH3+])C(=O)NCc1cn[nH]c1 ZINC000038006627 171395340 /nfs/dbraw/zinc/39/53/40/171395340.db2.gz QVPTZCFAXVZJSK-CBAPKCEASA-N 1 0 210.281 0.399 10 0 BCAERO O=c1[nH]ncc(NC2CC[NH2+]CC2)c1Cl ZINC000073736170 412130173 /nfs/dbraw/zinc/13/01/73/412130173.db2.gz ZEBCKWAVFROVQH-UHFFFAOYSA-N 1 0 228.683 0.587 10 0 BCAERO CC[C@H]([NH2+]C)C(=O)N[C@H](C)[C@H]1CCCO1 ZINC000662377459 412130379 /nfs/dbraw/zinc/13/03/79/412130379.db2.gz HLBXIHQGZLSQFB-KXUCPTDWSA-N 1 0 214.309 0.668 10 0 BCAERO CC[C@@H]([NH2+]C)C(=O)N1CCn2ccnc2C1 ZINC000662468142 412185175 /nfs/dbraw/zinc/18/51/75/412185175.db2.gz ASIGVSLHCVODSW-SECBINFHSA-N 1 0 222.292 0.223 10 0 BCAERO CC[C@H]([NH2+]C)C(=O)NC[C@H]1CCCC[C@@H]1O ZINC000662490015 412190455 /nfs/dbraw/zinc/19/04/55/412190455.db2.gz ZRMRYGCOVYBMBL-VWYCJHECSA-N 1 0 228.336 0.652 10 0 BCAERO C[C@H](NC(=O)[C@H]1C[C@H]([NH3+])C1)[C@H]1CCCO1 ZINC000662495429 412195346 /nfs/dbraw/zinc/19/53/46/412195346.db2.gz RUQHIBHQXDSLHS-AATLWQCWSA-N 1 0 212.293 0.407 10 0 BCAERO [NH3+][C@H]1C[C@H](C(=O)N2CCO[C@H]3CCCC[C@H]32)C1 ZINC000662508301 412198625 /nfs/dbraw/zinc/19/86/25/412198625.db2.gz YHLXAXVDLJFDOB-KKOKHZNYSA-N 1 0 238.331 0.894 10 0 BCAERO C[C@H](C[NH3+])Nc1ccc(Br)nn1 ZINC000575587001 412200819 /nfs/dbraw/zinc/20/08/19/412200819.db2.gz KMPMWBBTAZQFIG-RXMQYKEDSA-N 1 0 231.097 0.998 10 0 BCAERO CC[C@H]([NH2+]C)C(=O)NC[C@@H]1CCC[C@H]1O ZINC000662526603 412205486 /nfs/dbraw/zinc/20/54/86/412205486.db2.gz AWYHOVGTAWITOC-LPEHRKFASA-N 1 0 214.309 0.262 10 0 BCAERO CO[C@H](C(=O)N1CCC[C@@H]1C[NH3+])C1CCC1 ZINC000662425795 412164907 /nfs/dbraw/zinc/16/49/07/412164907.db2.gz NXCZIVDXFWZRSQ-MNOVXSKESA-N 1 0 226.320 0.751 10 0 BCAERO CC[C@H]([NH2+]C)C(=O)N(C)C[C@H]1CCCO1 ZINC000662438376 412174926 /nfs/dbraw/zinc/17/49/26/412174926.db2.gz PCBJDZVQDXWOLH-ZJUUUORDSA-N 1 0 214.309 0.622 10 0 BCAERO COC[C@H]([NH3+])C(=O)NC[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000662665210 412263208 /nfs/dbraw/zinc/26/32/08/412263208.db2.gz JHUFKIGRDXLYRR-RCWTZXSCSA-N 1 0 226.320 0.513 10 0 BCAERO [NH3+][C@@H]1CC[C@H](C(=O)N2CC[C@H]3C[C@H]3C2)C1 ZINC000662703384 412276533 /nfs/dbraw/zinc/27/65/33/412276533.db2.gz HGCFDFXVMFYRFB-XWLWVQCSSA-N 1 0 208.305 0.982 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N1CC[C@@H]2COC[C@@H]2C1 ZINC000662713834 412279639 /nfs/dbraw/zinc/27/96/39/412279639.db2.gz ZDNFEWCCQMOOGP-VWYCJHECSA-N 1 0 226.320 0.609 10 0 BCAERO COC[C@H]([NH3+])C(=O)NC[C@@H](OC)C1CCCC1 ZINC000662713218 412279926 /nfs/dbraw/zinc/27/99/26/412279926.db2.gz VUJKUMJJNHCGIA-WDEREUQCSA-N 1 0 244.335 0.282 10 0 BCAERO NC(=[NH2+])Nc1ccc(C(=O)Nc2ncco2)cc1 ZINC000039072967 412281844 /nfs/dbraw/zinc/28/18/44/412281844.db2.gz VMNOROKKBWEDLM-UHFFFAOYSA-N 1 0 245.242 1.232 10 0 BCAERO CC(C)C[C@@H](C[NH3+])Nc1ccc(C#N)nn1 ZINC000397038263 412283590 /nfs/dbraw/zinc/28/35/90/412283590.db2.gz HMBYHNMBDCIGAN-JTQLQIEISA-N 1 0 219.292 1.134 10 0 BCAERO C[NH2+][C@H](C)CNC(=O)[C@H](OC)C1CCC1 ZINC000662559725 412218690 /nfs/dbraw/zinc/21/86/90/412218690.db2.gz DPZLBWKUCJBJKQ-PSASIEDQSA-N 1 0 214.309 0.526 10 0 BCAERO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1C(=O)N1CCC[C@@H]1C[NH3+] ZINC000087244950 487622756 /nfs/dbraw/zinc/62/27/56/487622756.db2.gz WEARYNLDVSXQAB-PREPNJAASA-N 1 0 240.347 0.996 10 0 BCAERO CC[C@H]([NH2+]C)C(=O)N1CCC([C@H](C)O)CC1 ZINC000662563918 412220088 /nfs/dbraw/zinc/22/00/88/412220088.db2.gz KJMWUQJBXIEPOB-ONGXEEELSA-N 1 0 228.336 0.604 10 0 BCAERO C[C@H]1CN(C(=O)[C@H]2C[C@H]3C[C@H]3C2)C[C@@H]1[NH3+] ZINC000662574235 412225805 /nfs/dbraw/zinc/22/58/05/412225805.db2.gz YCNPQLHGXQLEET-DAWVFNFOSA-N 1 0 208.305 0.838 10 0 BCAERO COC[C@H](CCNC(=O)C[C@H]([NH3+])C(C)C)OC ZINC000662618772 412245028 /nfs/dbraw/zinc/24/50/28/412245028.db2.gz ZCYMXLIROGEUOV-QWRGUYRKSA-N 1 0 246.351 0.528 10 0 BCAERO CC[C@H](C)[C@@H]([NH3+])C(=O)NCC[C@H](C)[NH+](C)C ZINC000662629653 412248875 /nfs/dbraw/zinc/24/88/75/412248875.db2.gz AWLRUFBIOJGVHU-GARJFASQSA-N 1 0 229.368 0.816 10 0 BCAERO [NH3+][C@@H]1CC[C@@H](C(=O)NCCOCCF)C1 ZINC000663002046 412366263 /nfs/dbraw/zinc/36/62/63/412366263.db2.gz AVRLOPCKANRRFU-RKDXNWHRSA-N 1 0 218.272 0.216 10 0 BCAERO CC[C@H]1COCCN1C(=O)[C@@H]1CC[NH2+]C1 ZINC000062113042 171670244 /nfs/dbraw/zinc/67/02/44/171670244.db2.gz XSNKGEIPGBFAQX-ZJUUUORDSA-N 1 0 212.293 0.233 10 0 BCAERO CC(C)c1cc(NC[C@H]2C[NH2+]C[C@H]2O)ncn1 ZINC000420248326 412321023 /nfs/dbraw/zinc/32/10/23/412321023.db2.gz IBFDJOCAGKKPEH-MWLCHTKSSA-N 1 0 236.319 0.592 10 0 BCAERO [NH3+][C@@H]1CC[C@@H](C(=O)N[C@H](CO)C2CCC2)C1 ZINC000662848534 412321079 /nfs/dbraw/zinc/32/10/79/412321079.db2.gz BSODINOUSSFVOF-GMTAPVOTSA-N 1 0 226.320 0.391 10 0 BCAERO [NH3+][C@@H]1CC[C@@H](C(=O)N[C@@H](CO)C2CCC2)C1 ZINC000662848536 412321158 /nfs/dbraw/zinc/32/11/58/412321158.db2.gz BSODINOUSSFVOF-MXWKQRLJSA-N 1 0 226.320 0.391 10 0 BCAERO CC[C@H](C)[C@@H]([NH3+])C(=O)NC/C=C\CO ZINC000662856422 412325337 /nfs/dbraw/zinc/32/53/37/412325337.db2.gz TUKZHNHBJSZTDV-CGECUYNFSA-N 1 0 200.282 0.025 10 0 BCAERO C[C@]1(C(=O)NCCOCCF)CCCC[NH2+]1 ZINC000663002038 412366877 /nfs/dbraw/zinc/36/68/77/412366877.db2.gz AUWKNBNXWYPBIM-LLVKDONJSA-N 1 0 232.299 0.621 10 0 BCAERO O=C(CC[C@H]1CCC[NH2+]1)NC/C=C/CO ZINC000662859290 412327199 /nfs/dbraw/zinc/32/71/99/412327199.db2.gz MIGORMAPLVRDDH-TXXBHVLJSA-N 1 0 212.293 0.183 10 0 BCAERO O=C(NCCc1ccoc1)[C@H]1C[NH2+]CCOC1 ZINC000662871005 412329946 /nfs/dbraw/zinc/32/99/46/412329946.db2.gz FVVQAZYTBYJDAG-NSHDSACASA-N 1 0 238.287 0.174 10 0 BCAERO CCC[C@@H]1C[C@@H]1NC(=O)COC1(C)C[NH2+]C1 ZINC000219039355 412336332 /nfs/dbraw/zinc/33/63/32/412336332.db2.gz ZTDIOJPNMZZWIR-ZJUUUORDSA-N 1 0 226.320 0.670 10 0 BCAERO COC(=O)c1ccc(N[C@@H](C)[C@H](C)[NH3+])nc1C ZINC000381362696 412344492 /nfs/dbraw/zinc/34/44/92/412344492.db2.gz KSSNVWUBQNDFIZ-YUMQZZPRSA-N 1 0 237.303 1.324 10 0 BCAERO COC[C@]1(C(=O)N2CC[C@H]3C[C@H]3C2)CCC[NH2+]1 ZINC000662915445 412344875 /nfs/dbraw/zinc/34/48/75/412344875.db2.gz YFDQQXUXVNQXTH-GVXVVHGQSA-N 1 0 238.331 0.623 10 0 BCAERO COC[C@]1(C(=O)N2CC[C@@H]3C[C@@H]3C2)CCC[NH2+]1 ZINC000662915448 412345010 /nfs/dbraw/zinc/34/50/10/412345010.db2.gz YFDQQXUXVNQXTH-WZRBSPASSA-N 1 0 238.331 0.623 10 0 BCAERO CC(C)[C@H](NC(=O)[C@@H]1C[NH2+]CCOC1)C1CC1 ZINC000662917541 412345076 /nfs/dbraw/zinc/34/50/76/412345076.db2.gz USVBLRRVHUWOQH-NEPJUHHUSA-N 1 0 240.347 0.773 10 0 BCAERO CCCC[C@H](C[NH3+])Nc1ccc2nncn2n1 ZINC000420199214 412345553 /nfs/dbraw/zinc/34/55/53/412345553.db2.gz DRTQPDBRVAOXSS-SECBINFHSA-N 1 0 234.307 1.054 10 0 BCAERO CC[C@]1(C(=O)N2CCC(CO)CC2)CC[NH2+]C1 ZINC000062890160 171710598 /nfs/dbraw/zinc/71/05/98/171710598.db2.gz YRXOVROJZZRTOV-ZDUSSCGKSA-N 1 0 240.347 0.607 10 0 BCAERO [NH3+]C1(CNc2cnccn2)CCOCC1 ZINC000630524284 412297480 /nfs/dbraw/zinc/29/74/80/412297480.db2.gz JXJGTNNNEACWQM-UHFFFAOYSA-N 1 0 208.265 0.396 10 0 BCAERO [NH3+][C@@H](CNc1ncnc2[nH]ccc21)C1CC1 ZINC000420217028 412301408 /nfs/dbraw/zinc/30/14/08/412301408.db2.gz HQXBJMNOVXKRCT-VIFPVBQESA-N 1 0 217.276 1.107 10 0 BCAERO [NH3+][C@H](CNc1ncnc2[nH]ccc21)C1CC1 ZINC000420217027 412302845 /nfs/dbraw/zinc/30/28/45/412302845.db2.gz HQXBJMNOVXKRCT-SECBINFHSA-N 1 0 217.276 1.107 10 0 BCAERO COc1cc(N2CCO[C@H]([C@H](C)[NH3+])C2)ncn1 ZINC000132944226 412373521 /nfs/dbraw/zinc/37/35/21/412373521.db2.gz HWIOPOJKEXAYEF-IUCAKERBSA-N 1 0 238.291 0.038 10 0 BCAERO c1nc2ncnc(NCC34CC(C3)C[NH2+]4)c2[nH]1 ZINC000663272030 412404556 /nfs/dbraw/zinc/40/45/56/412404556.db2.gz CILRLEDHVKCIDY-UHFFFAOYSA-N 1 0 230.275 0.468 10 0 BCAERO CCc1nc2ccccc2n1C[C@@H]([NH3+])C(N)=O ZINC000062808058 172013305 /nfs/dbraw/zinc/01/33/05/172013305.db2.gz AKQSGVBAAIIPJM-MRVPVSSYSA-N 1 0 232.287 0.411 10 0 BCAERO CCc1ncc2c(n1)CN(C(=O)C[C@@H](C)[NH3+])C2 ZINC000071761227 172024296 /nfs/dbraw/zinc/02/42/96/172024296.db2.gz JIOHKTZXVLJLHM-MRVPVSSYSA-N 1 0 234.303 0.619 10 0 BCAERO CCc1nccn1[C@@H]1COCC[C@H]1[NH2+]C ZINC000044036631 172028627 /nfs/dbraw/zinc/02/86/27/172028627.db2.gz LCCYDTLZUMRTNY-NXEZZACHSA-N 1 0 209.293 0.995 10 0 BCAERO CCc1ncnc(N2C[C@@H](C)[C@@H]([NH3+])C2)c1F ZINC000234182254 172031761 /nfs/dbraw/zinc/03/17/61/172031761.db2.gz XWQPLOXQAOAWEM-SFYZADRCSA-N 1 0 224.283 0.962 10 0 BCAERO CCc1nnc(CN2CCC[C@@H]([NH2+]C)C2)o1 ZINC000053204402 172050100 /nfs/dbraw/zinc/05/01/00/172050100.db2.gz HZKHKMREVOWAOM-SECBINFHSA-N 1 0 224.308 0.816 10 0 BCAERO CCc1nnc(C[NH2+][C@@H](CCO)C(C)C)n1C ZINC000355052504 172053994 /nfs/dbraw/zinc/05/39/94/172053994.db2.gz JYWJSSJVSSQQRZ-JTQLQIEISA-N 1 0 240.351 0.874 10 0 BCAERO CCc1nnc(N(C)C2C[NH2+]C2)nc1CC ZINC000163169677 172056957 /nfs/dbraw/zinc/05/69/57/172056957.db2.gz BZOWCZALTJOCGU-UHFFFAOYSA-N 1 0 221.308 0.404 10 0 BCAERO CCn1c(C)nnc1CN1CC[C@@H]([NH3+])C1 ZINC000261555118 172139555 /nfs/dbraw/zinc/13/95/55/172139555.db2.gz USMNDMQGWZCMGE-SECBINFHSA-N 1 0 209.297 0.139 10 0 BCAERO CCn1c2ccccc2nc1C[C@H](O)C[NH3+] ZINC000076165945 172145172 /nfs/dbraw/zinc/14/51/72/172145172.db2.gz SUEGOGYLMOEOLD-VIFPVBQESA-N 1 0 219.288 0.918 10 0 BCAERO CCn1c(=O)[nH]nc1SC[C@H]1CC[NH2+]C1 ZINC000061606958 172147431 /nfs/dbraw/zinc/14/74/31/172147431.db2.gz FPSJMXHJYGYUFY-ZETCQYMHSA-N 1 0 228.321 0.293 10 0 BCAERO CCn1c(=O)[nH]nc1SC1CC[NH2+]CC1 ZINC000061606974 172147582 /nfs/dbraw/zinc/14/75/82/172147582.db2.gz CTXATZRIEHRCRP-UHFFFAOYSA-N 1 0 228.321 0.435 10 0 BCAERO CCn1cc(CN2C[C@@H](C)[C@@H]([NH3+])C2)cn1 ZINC000234207417 172167997 /nfs/dbraw/zinc/16/79/97/172167997.db2.gz GHZJTRQZGWMFEO-KOLCDFICSA-N 1 0 208.309 0.682 10 0 BCAERO CCn1cc(NC(=O)[C@@H]2C[NH2+]C[C@H]2C)ccc1=O ZINC000111267466 172182501 /nfs/dbraw/zinc/18/25/01/172182501.db2.gz KTQYLZTYTBMRQY-MWLCHTKSSA-N 1 0 249.314 0.662 10 0 BCAERO CCn1cccc1C(=O)N1CCC[NH2+]CC1 ZINC000037869111 172203708 /nfs/dbraw/zinc/20/37/08/172203708.db2.gz FIEQMYMXRIRMEL-UHFFFAOYSA-N 1 0 221.304 0.944 10 0 BCAERO CCn1cccc1C[NH2+]CC(=O)NC1CC1 ZINC000085608823 172206999 /nfs/dbraw/zinc/20/69/99/172206999.db2.gz JSBYROBDTMJLNO-UHFFFAOYSA-N 1 0 221.304 0.876 10 0 BCAERO CCn1ccnc(N2CCC[C@@H]2C[NH3+])c1=O ZINC000061772130 172210601 /nfs/dbraw/zinc/21/06/01/172210601.db2.gz PEERRBDEHYJAKV-SECBINFHSA-N 1 0 222.292 0.191 10 0 BCAERO CCn1ncnc1CN1CC[C@H](C)C[C@@H]1C[NH3+] ZINC000234230989 172280231 /nfs/dbraw/zinc/28/02/31/172280231.db2.gz ZPVLDMBLCFWKPO-WDEREUQCSA-N 1 0 237.351 0.857 10 0 BCAERO CN(C(=O)C1CCOCC1)C1CC[NH2+]CC1 ZINC000036282785 172299199 /nfs/dbraw/zinc/29/91/99/172299199.db2.gz DRWZWUDYJQXKAV-UHFFFAOYSA-N 1 0 226.320 0.623 10 0 BCAERO CN(C(=O)Cc1cccc(F)c1F)C1C[NH2+]C1 ZINC000094713666 172314845 /nfs/dbraw/zinc/31/48/45/172314845.db2.gz FWWMIPQSBIKSJO-UHFFFAOYSA-N 1 0 240.253 0.938 10 0 BCAERO CN(C(=O)[C@@H]1CC[C@H]([NH3+])C1)[C@@H]1CCOC1 ZINC000133836493 172329344 /nfs/dbraw/zinc/32/93/44/172329344.db2.gz WAHOPIGKOQRCLP-KXUCPTDWSA-N 1 0 212.293 0.361 10 0 BCAERO CN(C(=O)[C@H]1CCOc2ccccc21)C1C[NH2+]C1 ZINC000090289817 172335040 /nfs/dbraw/zinc/33/50/40/172335040.db2.gz MZFVRKNOFMQQIT-LBPRGKRZSA-N 1 0 246.310 0.983 10 0 BCAERO CN(C(=O)[C@H]1C[NH2+]CCN1)c1ccccc1F ZINC000062813441 172335159 /nfs/dbraw/zinc/33/51/59/172335159.db2.gz IXLXHFCCGBYCKQ-SNVBAGLBSA-N 1 0 237.278 0.350 10 0 BCAERO CN(C(=O)[C@](C)([NH3+])C1CC1)C1CCOCC1 ZINC000037479091 172335963 /nfs/dbraw/zinc/33/59/63/172335963.db2.gz IDJDRQXGBPHFPL-GFCCVEGCSA-N 1 0 226.320 0.751 10 0 BCAERO CN(C(=O)c1ccc2nccnc2c1)C1C[NH2+]C1 ZINC000090289734 172340951 /nfs/dbraw/zinc/34/09/51/172340951.db2.gz QLBZTSNDJNRYIB-UHFFFAOYSA-N 1 0 242.282 0.674 10 0 BCAERO CN(C(=O)c1cccc2c1OCCO2)C1C[NH2+]C1 ZINC000090289764 172341774 /nfs/dbraw/zinc/34/17/74/172341774.db2.gz BHWXXVKTIGZLRK-UHFFFAOYSA-N 1 0 248.282 0.502 10 0 BCAERO CN(C(=O)c1cnccn1)C1CC[NH2+]CC1 ZINC000036282854 172346349 /nfs/dbraw/zinc/34/63/49/172346349.db2.gz PQBXMEVNJCARPN-UHFFFAOYSA-N 1 0 220.276 0.301 10 0 BCAERO CN(C)C(=O)CCN1[C@@H]2CCC[C@H]1CC([NH3+])C2 ZINC000054602545 172359205 /nfs/dbraw/zinc/35/92/05/172359205.db2.gz CFWVPEDJXWKWQB-YOGCLGLASA-N 1 0 239.363 0.809 10 0 BCAERO CN(C)C(=O)CN1CCCC[C@@H]1C[NH2+]C1CC1 ZINC000104422971 172364991 /nfs/dbraw/zinc/36/49/91/172364991.db2.gz OAECQEKDQNGYHO-GFCCVEGCSA-N 1 0 239.363 0.681 10 0 BCAERO CN(C)C(=O)CN1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000051360081 172365029 /nfs/dbraw/zinc/36/50/29/172365029.db2.gz SJKGYMYFMDUBCM-QWRGUYRKSA-N 1 0 225.336 0.291 10 0 BCAERO CN(C)C(=O)C[NH2+]C[C@H]1CCCCO1 ZINC000035151402 172370040 /nfs/dbraw/zinc/37/00/40/172370040.db2.gz BSYRBSXVIZWSTG-SECBINFHSA-N 1 0 200.282 0.233 10 0 BCAERO CN(C)C(=O)C[NH2+]CC(=O)N1CCCCCC1 ZINC000037207930 172370093 /nfs/dbraw/zinc/37/00/93/172370093.db2.gz GEUMOAQIVKQBHS-UHFFFAOYSA-N 1 0 241.335 0.067 10 0 BCAERO CN(C)C(=O)COc1ccccc1C[NH3+] ZINC000021960002 172372686 /nfs/dbraw/zinc/37/26/86/172372686.db2.gz BCDWICNUPFCKEQ-UHFFFAOYSA-N 1 0 208.261 0.612 10 0 BCAERO CN(C)C(=O)Cn1c(N)[nH+]c2ccccc21 ZINC000037225634 172375088 /nfs/dbraw/zinc/37/50/88/172375088.db2.gz NLZKFGOAESKAQD-UHFFFAOYSA-N 1 0 218.260 0.707 10 0 BCAERO CN(C)C(=O)N[C@@H](C[NH3+])c1ccccc1 ZINC000082640408 172380791 /nfs/dbraw/zinc/38/07/91/172380791.db2.gz GQKPYWPSNVDSIQ-JTQLQIEISA-N 1 0 207.277 0.958 10 0 BCAERO CN(C)C(=O)[C@H]([NH3+])Cc1ccc(O)cc1 ZINC000077488091 172385099 /nfs/dbraw/zinc/38/50/99/172385099.db2.gz YHVJCWPOEZQLQY-SNVBAGLBSA-N 1 0 208.261 0.350 10 0 BCAERO CN(C)C(=O)[C@]1(c2ccccc2)C[C@@H]1C[NH3+] ZINC000005688737 172387503 /nfs/dbraw/zinc/38/75/03/172387503.db2.gz LMRXDYSTKNCUDM-YPMHNXCESA-N 1 0 218.300 0.991 10 0 BCAERO CN(C)C(=O)c1c[nH]nc1[C@H]1CCC[NH2+]C1 ZINC000098209855 172387879 /nfs/dbraw/zinc/38/78/79/172387879.db2.gz GKTRVPDLRUMFPK-QMMMGPOBSA-N 1 0 222.292 0.579 10 0 BCAERO C[NH+](C)CCCn1cc2[nH]cccc-2c1=O ZINC000089223362 172436812 /nfs/dbraw/zinc/43/68/12/172436812.db2.gz IBYBIQQZPIHGEP-UHFFFAOYSA-N 1 0 219.288 0.989 10 0 BCAERO CN(CC(=O)Nc1ccccc1)C(=O)C(C)(C)[NH3+] ZINC000040923555 172612176 /nfs/dbraw/zinc/61/21/76/172612176.db2.gz QZFIILFSWXENCM-UHFFFAOYSA-N 1 0 249.314 0.821 10 0 BCAERO CN(CC1([NH3+])CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000037479651 172640566 /nfs/dbraw/zinc/64/05/66/172640566.db2.gz BMIPWXAOPPEREQ-JTQLQIEISA-N 1 0 246.376 0.377 10 0 BCAERO CN(Cc1ccc(Cl)nn1)[C@@H]1CC[NH2+]C1 ZINC000095070744 172850389 /nfs/dbraw/zinc/85/03/89/172850389.db2.gz YMCBJESUKVQKSL-SECBINFHSA-N 1 0 226.711 0.924 10 0 BCAERO CN(Cc1ccoc1)C(=O)[C@@H]1C[NH2+]CCO1 ZINC000043801285 172902379 /nfs/dbraw/zinc/90/23/79/172902379.db2.gz QCBYUXHDLWFVRX-JTQLQIEISA-N 1 0 224.260 0.226 10 0 BCAERO CN(Cc1cnccn1)C[C@@H]1CCC[NH2+]1 ZINC000095071020 172914081 /nfs/dbraw/zinc/91/40/81/172914081.db2.gz NTEDMVDGGYQDLS-JTQLQIEISA-N 1 0 206.293 0.660 10 0 BCAERO CN(Cc1cnn(C)c1)[C@@H]1CCCC[NH2+]C1 ZINC000054135392 172917613 /nfs/dbraw/zinc/91/76/13/172917613.db2.gz JIZHYTJEXAEGJP-GFCCVEGCSA-N 1 0 222.336 0.994 10 0 BCAERO CN1C(=O)Cc2cc([C@@H](O)[C@H]3CCC[NH2+]3)ccc21 ZINC000062534893 172967801 /nfs/dbraw/zinc/96/78/01/172967801.db2.gz NEGNTGXNKMEYCF-BXUZGUMPSA-N 1 0 246.310 0.991 10 0 BCAERO Cn1ccnc1CNC[C@H]1CCCC[N@@H+]1C ZINC000044562611 173005497 /nfs/dbraw/zinc/00/54/97/173005497.db2.gz AGONLZHBOGAFBL-LLVKDONJSA-N 1 0 222.336 0.994 10 0 BCAERO Cn1cc(CNC[C@@H]2CCCC[N@@H+]2C)nn1 ZINC000054861028 173010778 /nfs/dbraw/zinc/01/07/78/173010778.db2.gz WMAWJRXENWSCFC-NSHDSACASA-N 1 0 223.324 0.389 10 0 BCAERO C[N@@H+]1CCCN(C(=O)c2csc(N)n2)CC1 ZINC000055185247 173014229 /nfs/dbraw/zinc/01/42/29/173014229.db2.gz PXIZVULCXOITTF-UHFFFAOYSA-N 1 0 240.332 0.503 10 0 BCAERO CN1CCC[C@@H]([NH2+]Cc2cnccn2)C1 ZINC000054766614 173021597 /nfs/dbraw/zinc/02/15/97/173021597.db2.gz KCBRXDNOJWDMAS-SNVBAGLBSA-N 1 0 206.293 0.660 10 0 BCAERO C[NH+](C)[C@H](C(=O)[O-])[C@@H]1CCC[N@H+](C)C1 ZINC000082383146 173023240 /nfs/dbraw/zinc/02/32/40/173023240.db2.gz GEBZRQLCIKXPHE-BDAKNGLRSA-N 1 0 200.282 0.343 10 0 BCAERO CN1CCN(C(=O)C[NH2+]CC2CCC2)CC1 ZINC000037180593 173067045 /nfs/dbraw/zinc/06/70/45/173067045.db2.gz BQRYYWKVPOZYDA-UHFFFAOYSA-N 1 0 225.336 0.150 10 0 BCAERO CN1CCN(C(=O)OC(C)(C)C)[C@@H](C[NH3+])C1 ZINC000082348635 173070131 /nfs/dbraw/zinc/07/01/31/173070131.db2.gz KQQCWBGPQUEVTQ-VIFPVBQESA-N 1 0 229.324 0.496 10 0 BCAERO CN1CCN(C(=O)[C@H]([NH3+])C(C)(C)C)CC1 ZINC000077458776 173070558 /nfs/dbraw/zinc/07/05/58/173070558.db2.gz RQYBKJFYSBSZQU-VIFPVBQESA-N 1 0 213.325 0.134 10 0 BCAERO CN1CCN(CCC2CC[NH2+]CC2)C1=O ZINC000052885991 173078567 /nfs/dbraw/zinc/07/85/67/173078567.db2.gz JHQLZOSDMAZIBL-UHFFFAOYSA-N 1 0 211.309 0.744 10 0 BCAERO CN1CCN(Cc2ccccc2)C[C@@H]1C[NH3+] ZINC000034080450 173086960 /nfs/dbraw/zinc/08/69/60/173086960.db2.gz XINSGXBPTWEPAG-ZDUSSCGKSA-N 1 0 219.332 0.761 10 0 BCAERO C[NH+]1CCN(Cn2nnc3ccccc32)CC1 ZINC000019855247 173091117 /nfs/dbraw/zinc/09/11/17/173091117.db2.gz PXJQUDHABLFDIQ-UHFFFAOYSA-N 1 0 231.303 0.636 10 0 BCAERO CN1CCN(Nc2cc(Cl)nc(N)[nH+]2)CC1 ZINC000058825059 173091893 /nfs/dbraw/zinc/09/18/93/173091893.db2.gz BPBCLCVMNPHTMX-UHFFFAOYSA-N 1 0 242.714 0.287 10 0 BCAERO CN1CC[NH2+]C[C@@H]1c1noc(C2CC2)n1 ZINC000261533307 173096759 /nfs/dbraw/zinc/09/67/59/173096759.db2.gz KSOLYHCDKVNLHY-MRVPVSSYSA-N 1 0 208.265 0.523 10 0 BCAERO CN1CCO[C@@H](C[NH2+]CC[C@H]2CCOC2)C1 ZINC000300360604 173103085 /nfs/dbraw/zinc/10/30/85/173103085.db2.gz WBSJSYGTEDRHSV-RYUDHWBXSA-N 1 0 228.336 0.333 10 0 BCAERO CN1CCO[C@@H](C[NH2+]CC2=CCCOC2)C1 ZINC000124699710 173103215 /nfs/dbraw/zinc/10/32/15/173103215.db2.gz JVKQHGVOKYEJKA-LBPRGKRZSA-N 1 0 226.320 0.253 10 0 BCAERO CN1CCO[C@H](C[NH2+]Cc2ccncc2)C1 ZINC000082432934 173106818 /nfs/dbraw/zinc/10/68/18/173106818.db2.gz MYBPAVYRQUSWGY-GFCCVEGCSA-N 1 0 221.304 0.502 10 0 BCAERO CN1CCO[C@H](CNC(=[NH2+])NC2CCCC2)C1 ZINC000112332693 173107860 /nfs/dbraw/zinc/10/78/60/173107860.db2.gz FWBPNGXWIDGKKO-LLVKDONJSA-N 1 0 240.351 0.374 10 0 BCAERO CN1CCO[C@H](CNc2ncnc3nc[nH]c32)C1 ZINC000108945687 173108608 /nfs/dbraw/zinc/10/86/08/173108608.db2.gz LMRFOXRWHWGYLA-MRVPVSSYSA-N 1 0 248.290 0.095 10 0 BCAERO CN(C[C@@H]1CC[N@H+](C)C1)C(=O)c1cn[nH]c1 ZINC000070823910 173113785 /nfs/dbraw/zinc/11/37/85/173113785.db2.gz DFBCCHILUVRGKF-SECBINFHSA-N 1 0 222.292 0.433 10 0 BCAERO CN1CC[C@@H](C[NH2+]C2CCS(=O)(=O)CC2)C1 ZINC000037484799 173114750 /nfs/dbraw/zinc/11/47/50/173114750.db2.gz MNBHAEAQKOTHRX-JTQLQIEISA-N 1 0 246.376 0.105 10 0 BCAERO C[N@@H+]1CC[C@@H](NC(=O)COc2cccc(N)c2)C1 ZINC000042543672 173121730 /nfs/dbraw/zinc/12/17/30/173121730.db2.gz RNBKUJLVRYYHGU-LLVKDONJSA-N 1 0 249.314 0.468 10 0 BCAERO C[N@@H+]1CC[C@@H](NC(=O)c2ccc(N)nc2)C1 ZINC000050709111 173124034 /nfs/dbraw/zinc/12/40/34/173124034.db2.gz INZBIGDDQSNMBU-SECBINFHSA-N 1 0 220.276 0.098 10 0 BCAERO CN1CC[C@@H]([NH2+]CC2(O)CCCCC2)C1 ZINC000042546640 173124690 /nfs/dbraw/zinc/12/46/90/173124690.db2.gz OREXTPOIRSOLLQ-LLVKDONJSA-N 1 0 212.337 0.975 10 0 BCAERO C[N@@H+]1CC[C@@H](Nc2ccc(-n3cnnn3)cc2)C1 ZINC000061984710 173126075 /nfs/dbraw/zinc/12/60/75/173126075.db2.gz AQGOFMYNHNLCMJ-LLVKDONJSA-N 1 0 244.302 0.778 10 0 BCAERO CN1CC[C@@]([NH2+]C2CCCC2)(C(N)=O)C1 ZINC000061991089 173136212 /nfs/dbraw/zinc/13/62/12/173136212.db2.gz WTBFDQGKVTUEOR-NSHDSACASA-N 1 0 211.309 0.078 10 0 BCAERO C[N@@H+]1CC[C@H](CNCc2cncnc2)C1 ZINC000054767888 173147760 /nfs/dbraw/zinc/14/77/60/173147760.db2.gz NJQNBBIJLDFAMN-SNVBAGLBSA-N 1 0 206.293 0.518 10 0 BCAERO CN1CC[C@H]([NH3+])C[C@H]1CNC(=O)OC(C)(C)C ZINC000096986188 173148523 /nfs/dbraw/zinc/14/85/23/173148523.db2.gz WAFAMYZWUZONFY-UWVGGRQHSA-N 1 0 243.351 0.933 10 0 BCAERO CN1CC[C@H]([NH3+])C[C@@H]1CNC(=O)OC(C)(C)C ZINC000096986189 173149240 /nfs/dbraw/zinc/14/92/40/173149240.db2.gz WAFAMYZWUZONFY-VHSXEESVSA-N 1 0 243.351 0.933 10 0 BCAERO CN1CC[C@H]([NH2+]C[C@@H]2CCCCN2C)C1 ZINC000054243552 173151853 /nfs/dbraw/zinc/15/18/53/173151853.db2.gz WZOITBXMGCQZTA-RYUDHWBXSA-N 1 0 211.353 0.764 10 0 BCAERO C[N@@H+]1CC[C@H](Nc2cc(C(N)=S)ccn2)C1 ZINC000042549327 173155143 /nfs/dbraw/zinc/15/51/43/173155143.db2.gz IQTZQQHNANHVCR-VIFPVBQESA-N 1 0 236.344 0.832 10 0 BCAERO C[N@@H+]1CC[C@H](Nc2ccnc(C(N)=S)c2)C1 ZINC000061812865 173156199 /nfs/dbraw/zinc/15/61/99/173156199.db2.gz XGHQEGIKMMBMIH-VIFPVBQESA-N 1 0 236.344 0.832 10 0 BCAERO C[N@@H+]1CC[C@H](Nc2cccc(C(N)=O)c2)C1 ZINC000061984743 173156313 /nfs/dbraw/zinc/15/63/13/173156313.db2.gz DLRJYXTWFLZEKN-NSHDSACASA-N 1 0 219.288 0.902 10 0 BCAERO CN1C[C@@H]([NH3+])C[C@@H]1CNC(=O)OC(C)(C)C ZINC000082348649 173183830 /nfs/dbraw/zinc/18/38/30/173183830.db2.gz OFFFXPOKIIWUMA-DTWKUNHWSA-N 1 0 229.324 0.543 10 0 BCAERO CNC(=O)CC[N@H+](C)[C@@]1(CN)CCC[C@H](C)C1 ZINC000051757795 173249026 /nfs/dbraw/zinc/24/90/26/173249026.db2.gz VYIKKONCHJGBHL-AAEUAGOBSA-N 1 0 241.379 0.962 10 0 BCAERO CNC(=O)CC[N@H+](C)[C@]1(CN)CCC[C@H](C)C1 ZINC000051757791 173250232 /nfs/dbraw/zinc/25/02/32/173250232.db2.gz VYIKKONCHJGBHL-WCQYABFASA-N 1 0 241.379 0.962 10 0 BCAERO CNC(=O)CC[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000128376107 173254344 /nfs/dbraw/zinc/25/43/44/173254344.db2.gz MGJBLRQYHCQJSY-YPMHNXCESA-N 1 0 240.347 0.750 10 0 BCAERO CNC(=O)CCN[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000051759047 173260937 /nfs/dbraw/zinc/26/09/37/173260937.db2.gz RJBXENKCEWWTPF-WDEREUQCSA-N 1 0 225.336 0.339 10 0 BCAERO CNC(=O)CN(C)[C@@H](C[NH3+])c1ccc(C)cc1 ZINC000042906392 173269532 /nfs/dbraw/zinc/26/95/32/173269532.db2.gz FPHFULOLDUHNPF-LBPRGKRZSA-N 1 0 235.331 0.673 10 0 BCAERO CNC(=O)CN(C)[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000037270060 173270099 /nfs/dbraw/zinc/27/00/99/173270099.db2.gz ZYOCCFHCFUCRFC-NXEZZACHSA-N 1 0 213.325 0.182 10 0 BCAERO CNC(=O)CN(C)[C@@H](C[NH3+])c1ccccc1F ZINC000043043267 173270671 /nfs/dbraw/zinc/27/06/71/173270671.db2.gz RCMIYRWPXJMXRQ-NSHDSACASA-N 1 0 239.294 0.503 10 0 BCAERO CNC(=O)CN(C)c1cc(Cl)ccc1C[NH3+] ZINC000062786789 173272386 /nfs/dbraw/zinc/27/23/86/173272386.db2.gz PBGWAUMHMWMZLN-UHFFFAOYSA-N 1 0 241.722 0.981 10 0 BCAERO CNC(=O)CN1CCC([NH2+]CCC(C)C)CC1 ZINC000035273473 173273164 /nfs/dbraw/zinc/27/31/64/173273164.db2.gz DVIUKAVLUHGHGH-UHFFFAOYSA-N 1 0 241.379 0.833 10 0 BCAERO CNC(=O)C[NH2+]C[C@]1(O)CCC[C@H](C)C1 ZINC000083469541 173276842 /nfs/dbraw/zinc/27/68/42/173276842.db2.gz TXUOIWGPNKKLFL-ONGXEEELSA-N 1 0 214.309 0.263 10 0 BCAERO CNC(=O)C[NH2+][C@@]1(CO)CCC[C@H](C)C1 ZINC000053126517 173278264 /nfs/dbraw/zinc/27/82/64/173278264.db2.gz FZSOJTQNADZCBF-ONGXEEELSA-N 1 0 214.309 0.263 10 0 BCAERO CNC(=O)COc1ccc(CC[NH3+])cc1OC ZINC000037721405 173279287 /nfs/dbraw/zinc/27/92/87/173279287.db2.gz WHVFXKLVXVAGHU-UHFFFAOYSA-N 1 0 238.287 0.321 10 0 BCAERO CNC(=O)COc1cccc([C@H](C)[NH3+])c1 ZINC000019279806 173279415 /nfs/dbraw/zinc/27/94/15/173279415.db2.gz MJGQJNVAPOOVCE-QMMMGPOBSA-N 1 0 208.261 0.831 10 0 BCAERO CNC(=O)Cc1ccc(OCC[NH3+])cc1 ZINC000091362087 173283877 /nfs/dbraw/zinc/28/38/77/173283877.db2.gz WEZUQIJFTGLDQJ-UHFFFAOYSA-N 1 0 208.261 0.313 10 0 BCAERO CNC(=O)N1C[C@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000124329707 173285876 /nfs/dbraw/zinc/28/58/76/173285876.db2.gz GFMFGBLSASGOPB-VHSXEESVSA-N 1 0 211.309 0.884 10 0 BCAERO CNC(=O)NC(=O)[C@@H](C)[NH2+]C1(C)CCCC1 ZINC000042187072 173288448 /nfs/dbraw/zinc/28/84/48/173288448.db2.gz PPBLHDBGACNYNK-MRVPVSSYSA-N 1 0 227.308 0.753 10 0 BCAERO CNC(=O)NC(=O)[C@H](C)[NH2+]CC(C)(C)C ZINC000040493588 173288558 /nfs/dbraw/zinc/28/85/58/173288558.db2.gz QPJXDNBTFHDYQP-ZETCQYMHSA-N 1 0 215.297 0.466 10 0 BCAERO CNC(=O)NC(=O)[C@H](C)[NH2+]CCCC(C)C ZINC000037984503 173288748 /nfs/dbraw/zinc/28/87/48/173288748.db2.gz YJWNHGSYLDHRJR-VIFPVBQESA-N 1 0 229.324 0.856 10 0 BCAERO CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](C)C1CC1 ZINC000035140144 173288990 /nfs/dbraw/zinc/28/89/90/173288990.db2.gz LLDVMTHLTVTGAQ-BQBZGAKWSA-N 1 0 213.281 0.219 10 0 BCAERO CNC(=O)[C@@H](C)[NH2+]C1Cc2ccccc2C1 ZINC000042561447 173295102 /nfs/dbraw/zinc/29/51/02/173295102.db2.gz WXAQITJUYWVFNO-SECBINFHSA-N 1 0 218.300 0.878 10 0 BCAERO CNC(=O)[C@@H](C)[NH2+]CC1CCOCC1 ZINC000052172353 173295282 /nfs/dbraw/zinc/29/52/82/173295282.db2.gz AXTKFWILBKEWSA-MRVPVSSYSA-N 1 0 200.282 0.137 10 0 BCAERO CNC(=O)[C@@H](C)[NH2+]Cc1c(C)nc2ccccn21 ZINC000042561768 173295473 /nfs/dbraw/zinc/29/54/73/173295473.db2.gz IWJAXWHUSKYSTI-SNVBAGLBSA-N 1 0 246.314 0.867 10 0 BCAERO CNC(=O)[C@@H](C)OC[C@@H]1CCC[NH2+]C1 ZINC000051815285 173296029 /nfs/dbraw/zinc/29/60/29/173296029.db2.gz RILQKIBMRADFMM-RKDXNWHRSA-N 1 0 200.282 0.137 10 0 BCAERO CNC(=O)[C@@H](C)Oc1cccc(C[NH3+])c1 ZINC000020386816 173296033 /nfs/dbraw/zinc/29/60/33/173296033.db2.gz IHMOLSAPLBLIHS-MRVPVSSYSA-N 1 0 208.261 0.659 10 0 BCAERO CNC(=O)[C@@H]1CCCN1c1cc[nH+]cc1N ZINC000042393203 173299086 /nfs/dbraw/zinc/29/90/86/173299086.db2.gz RWBWCKHWWKLWCF-JTQLQIEISA-N 1 0 220.276 0.379 10 0 BCAERO CNC(=O)[C@H](C)[NH2+]C1(CO)CCC(C)CC1 ZINC000053118706 173302511 /nfs/dbraw/zinc/30/25/11/173302511.db2.gz KIRPASNHAPLEAG-YZRBJQDESA-N 1 0 228.336 0.652 10 0 BCAERO CNC(=O)[C@H](C)[NH2+]C[C@H]1Cc2ccccc2O1 ZINC000038009914 173302589 /nfs/dbraw/zinc/30/25/89/173302589.db2.gz JPQASBPINFPSHD-GXSJLCMTSA-N 1 0 234.299 0.714 10 0 BCAERO CNC(=O)c1c(C[NH3+])cncc1OC1CC1 ZINC000095738156 173309123 /nfs/dbraw/zinc/30/91/23/173309123.db2.gz CHQKFNLVMNJQMD-UHFFFAOYSA-N 1 0 221.260 0.441 10 0 BCAERO CNC(=O)c1cc(N[C@@H]2CC[N@H+](C)C2)ccn1 ZINC000042548094 173309946 /nfs/dbraw/zinc/30/99/46/173309946.db2.gz YYUXCZOOTKHXJF-SNVBAGLBSA-N 1 0 234.303 0.557 10 0 BCAERO CNC(=O)c1ccc(NC(=O)C[NH3+])c(C)c1 ZINC000037004146 173310748 /nfs/dbraw/zinc/31/07/48/173310748.db2.gz MVDKDHINVYLSIA-UHFFFAOYSA-N 1 0 221.260 0.252 10 0 BCAERO C[NH2+]C(C)(C)C(=O)N[C@@H](C)[C@@H]1CCCO1 ZINC000061300452 173318207 /nfs/dbraw/zinc/31/82/07/173318207.db2.gz PXXDACXRJRVOTB-IUCAKERBSA-N 1 0 214.309 0.668 10 0 BCAERO C[NH2+]C(C)(C)C(=O)Nc1c(C)nn(C)c1C ZINC000061318698 173318299 /nfs/dbraw/zinc/31/82/99/173318299.db2.gz SGHKAKXOFHBLCG-UHFFFAOYSA-N 1 0 224.308 0.973 10 0 BCAERO C[NH2+]C(C)(C)C(=O)Nc1ccc(CC(N)=O)cc1 ZINC000061316235 173318373 /nfs/dbraw/zinc/31/83/73/173318373.db2.gz NOLCOCAQSVSZRT-UHFFFAOYSA-N 1 0 249.314 0.651 10 0 BCAERO C[NH2+]C1(C(=O)[O-])CC[NH+](C(C)C)CC1 ZINC000037180499 173321153 /nfs/dbraw/zinc/32/11/53/173321153.db2.gz OUQLKHMDAAFUMW-UHFFFAOYSA-N 1 0 200.282 0.533 10 0 BCAERO C[NH2+]C(C)(C)c1nc(-c2cnccn2)no1 ZINC000061151401 173321294 /nfs/dbraw/zinc/32/12/94/173321294.db2.gz WXFCIYBQOGKZKE-UHFFFAOYSA-N 1 0 219.248 0.981 10 0 BCAERO C[NH2+]C1CCN(C(=O)c2ccnn2C)CC1 ZINC000061665098 173322872 /nfs/dbraw/zinc/32/28/72/173322872.db2.gz YXXWYJDRZBFBOD-UHFFFAOYSA-N 1 0 222.292 0.244 10 0 BCAERO C[NH2+]C1CCN(Cc2nccnc2OC)CC1 ZINC000095071581 173322891 /nfs/dbraw/zinc/32/28/91/173322891.db2.gz HPPXVSBCMZXSBW-UHFFFAOYSA-N 1 0 236.319 0.669 10 0 BCAERO C[NH2+]C1CCN(Cc2nnc(C)n2C)CC1 ZINC000037469329 173323251 /nfs/dbraw/zinc/32/32/51/173323251.db2.gz NGVCDNPTGSWVLT-UHFFFAOYSA-N 1 0 223.324 0.307 10 0 BCAERO C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2CCC(N)=O ZINC000054602046 173323726 /nfs/dbraw/zinc/32/37/26/173323726.db2.gz VAMDCBCHJUHLKO-FGWVZKOKSA-N 1 0 225.336 0.467 10 0 BCAERO C[NH2+]CC(=O)NCCN(C)c1ccc(C)cc1 ZINC000077371430 173328432 /nfs/dbraw/zinc/32/84/32/173328432.db2.gz IQJSXDXZWZZQDN-UHFFFAOYSA-N 1 0 235.331 0.767 10 0 BCAERO C[NH2+]CC(=O)NCCN(C)c1cccc(F)c1 ZINC000077384728 173328840 /nfs/dbraw/zinc/32/88/40/173328840.db2.gz WTWJMGFGDRWDSW-UHFFFAOYSA-N 1 0 239.294 0.598 10 0 BCAERO C[NH2+]CC(=O)NCCCc1cccnc1 ZINC000077300542 173329365 /nfs/dbraw/zinc/32/93/65/173329365.db2.gz AAVVTFYJJOGPRQ-UHFFFAOYSA-N 1 0 207.277 0.350 10 0 BCAERO C[NH2+]CC(=O)N[C@@H]1CCO[C@@H]1c1ccccc1 ZINC000161622282 173331339 /nfs/dbraw/zinc/33/13/39/173331339.db2.gz IQOMVAJSNXHZGD-DGCLKSJQSA-N 1 0 234.299 0.852 10 0 BCAERO C[NH2+]CC(=O)N[C@H]1CCC[C@@H]1n1ccnc1 ZINC000037045830 173332717 /nfs/dbraw/zinc/33/27/17/173332717.db2.gz VXMVXISCNPEJSI-UWVGGRQHSA-N 1 0 222.292 0.312 10 0 BCAERO C[NH2+]CC(=O)Nc1ccc(C(N)=O)cc1C ZINC000037026788 173334145 /nfs/dbraw/zinc/33/41/45/173334145.db2.gz UETUGSZMNHDWFS-UHFFFAOYSA-N 1 0 221.260 0.252 10 0 BCAERO C[NH2+]CC(C)(C)[C@@H]1CCS(=O)(=O)C1 ZINC000054637865 173337535 /nfs/dbraw/zinc/33/75/35/173337535.db2.gz BEOKGMYHUVYNCO-MRVPVSSYSA-N 1 0 205.323 0.667 10 0 BCAERO C[NH2+]CC1(CN2CCO[C@H](C)C2)CCOCC1 ZINC000052180861 173337815 /nfs/dbraw/zinc/33/78/15/173337815.db2.gz HDPYHGDHZPZNSA-GFCCVEGCSA-N 1 0 242.363 0.723 10 0 BCAERO C[NH2+]CC1CCN(Cc2ncccn2)CC1 ZINC000054460316 173338438 /nfs/dbraw/zinc/33/84/38/173338438.db2.gz IZRAJGDKZAYITG-UHFFFAOYSA-N 1 0 220.320 0.908 10 0 BCAERO C[NH2+]CCC(=O)N(CCO)C1CCCC1 ZINC000044467198 173339162 /nfs/dbraw/zinc/33/91/62/173339162.db2.gz DSHLGVSJCBEDIL-UHFFFAOYSA-N 1 0 214.309 0.359 10 0 BCAERO C[NH2+]CCC(=O)N1CCOCC1(C)C ZINC000043606217 173340172 /nfs/dbraw/zinc/34/01/72/173340172.db2.gz GQFTWNMBQXSRGN-UHFFFAOYSA-N 1 0 200.282 0.233 10 0 BCAERO C[NH2+]CCCC(=O)N(CCCOC)CCOC ZINC000037901863 173342880 /nfs/dbraw/zinc/34/28/80/173342880.db2.gz GJBVKANZDWJVKW-UHFFFAOYSA-N 1 0 246.351 0.498 10 0 BCAERO C[NH2+]CCCC(=O)N1CCOCC1(C)C ZINC000042463019 173343822 /nfs/dbraw/zinc/34/38/22/173343822.db2.gz SDYOXWKJXBFMMB-UHFFFAOYSA-N 1 0 214.309 0.623 10 0 BCAERO C[NH2+]CCCC(=O)N[C@H](C)[C@H]1CCCO1 ZINC000037477729 173344273 /nfs/dbraw/zinc/34/42/73/173344273.db2.gz ZUPWKHJGPIPRKS-NXEZZACHSA-N 1 0 214.309 0.670 10 0 BCAERO C[NH2+]CCCCCC(=O)N1CCN(C=O)CC1 ZINC000077388422 173345006 /nfs/dbraw/zinc/34/50/06/173345006.db2.gz DSNJPXFWIBTICO-UHFFFAOYSA-N 1 0 241.335 0.067 10 0 BCAERO C[NH2+]CCCN(C(C)(C)C)S(C)(=O)=O ZINC000076611382 173346281 /nfs/dbraw/zinc/34/62/81/173346281.db2.gz QCAONGZOOABELT-UHFFFAOYSA-N 1 0 222.354 0.656 10 0 BCAERO C[NH2+]CCCS(=O)(=O)N(C)C(C)(C)C ZINC000077334661 173349453 /nfs/dbraw/zinc/34/94/53/173349453.db2.gz PFGLBGBCWGBJDM-UHFFFAOYSA-N 1 0 222.354 0.656 10 0 BCAERO C[NH2+]CCN(C)CCc1ccc2c(c1)CC(=O)N2 ZINC000077418226 173352688 /nfs/dbraw/zinc/35/26/88/173352688.db2.gz DEYNQZZEAYOLJG-UHFFFAOYSA-N 1 0 247.342 0.875 10 0 BCAERO C[NH2+]CCN(C)c1cc(C)nc2ncnn21 ZINC000053663817 173354056 /nfs/dbraw/zinc/35/40/56/173354056.db2.gz JSIFMLHGMOVMRT-UHFFFAOYSA-N 1 0 220.280 0.088 10 0 BCAERO C[NH2+]CCN(CC(C)C)S(C)(=O)=O ZINC000076584606 173354315 /nfs/dbraw/zinc/35/43/15/173354315.db2.gz XJKLKWDGZCOUNJ-UHFFFAOYSA-N 1 0 208.327 0.123 10 0 BCAERO C[NH2+]CCN1C(=O)c2ccccc2S1(=O)=O ZINC000042212086 173354707 /nfs/dbraw/zinc/35/47/07/173354707.db2.gz UGJWDFKPBMLAGZ-UHFFFAOYSA-N 1 0 240.284 0.051 10 0 BCAERO C[NH2+]CCS(=O)(=O)N1CCC(C)(C)CC1 ZINC000061823060 173357328 /nfs/dbraw/zinc/35/73/28/173357328.db2.gz NPSFQBUKZKAKSN-UHFFFAOYSA-N 1 0 234.365 0.658 10 0 BCAERO C[NH2+]CCS(=O)(=O)c1cccc(C)c1 ZINC000071518864 173357338 /nfs/dbraw/zinc/35/73/38/173357338.db2.gz TYPUNGRXWGHBBK-UHFFFAOYSA-N 1 0 213.302 0.988 10 0 BCAERO C[NH2+]CCOc1nccc2n[nH]c(C)c21 ZINC000089220135 173357464 /nfs/dbraw/zinc/35/74/64/173357464.db2.gz UEEINIJYXXQGJG-UHFFFAOYSA-N 1 0 206.249 0.865 10 0 BCAERO C[NH2+]CCS(=O)(=O)c1ccc(F)cc1 ZINC000071520020 173357478 /nfs/dbraw/zinc/35/74/78/173357478.db2.gz QYDPAOGQQUYAKS-UHFFFAOYSA-N 1 0 217.265 0.819 10 0 BCAERO C[NH2+]CCS(=O)(=O)c1cccs1 ZINC000071509363 173357515 /nfs/dbraw/zinc/35/75/15/173357515.db2.gz XPZMIOICYRTMIW-UHFFFAOYSA-N 1 0 205.304 0.741 10 0 BCAERO C[NH2+]CCS(=O)(=O)N1CCCCCC1 ZINC000049629852 173357698 /nfs/dbraw/zinc/35/76/98/173357698.db2.gz UVXGQTJOTIPBQD-UHFFFAOYSA-N 1 0 220.338 0.412 10 0 BCAERO C[NH2+]CCS(=O)(=O)N1C[C@H]2CC[C@@H]1C2 ZINC000049717231 173357956 /nfs/dbraw/zinc/35/79/56/173357956.db2.gz CANIUOJCNUXZNS-DTWKUNHWSA-N 1 0 218.322 0.020 10 0 BCAERO C[NH2+]CCc1noc(-c2cscn2)n1 ZINC000062361978 173361772 /nfs/dbraw/zinc/36/17/72/173361772.db2.gz XIMOPVFNLTVPFM-UHFFFAOYSA-N 1 0 210.262 0.955 10 0 BCAERO C[NH2+]CCn1nnc2ccccc2c1=O ZINC000042410408 173362236 /nfs/dbraw/zinc/36/22/36/173362236.db2.gz DRNMQHLBIJWZGA-UHFFFAOYSA-N 1 0 204.233 0.011 10 0 BCAERO C[NH2+]C[C@@H](O)COc1ccc(F)cc1F ZINC000019864766 173365389 /nfs/dbraw/zinc/36/53/89/173365389.db2.gz LAZHAAYCSMLTTO-MRVPVSSYSA-N 1 0 217.215 0.924 10 0 BCAERO C[NH2+]C[C@@H](O)COCCc1ccccn1 ZINC000034958475 173365470 /nfs/dbraw/zinc/36/54/70/173365470.db2.gz PMXGHTFJURCDRR-LLVKDONJSA-N 1 0 210.277 0.221 10 0 BCAERO C[NH2+]C[C@@H]1CCCN(Cc2nnc(C)o2)C1 ZINC000040601308 173367758 /nfs/dbraw/zinc/36/77/58/173367758.db2.gz VKLOKWBOKCRRJO-JTQLQIEISA-N 1 0 224.308 0.809 10 0 BCAERO C[NH2+]C[C@@H]1CCCN1c1nccc(OC)n1 ZINC000053703649 173369817 /nfs/dbraw/zinc/36/98/17/173369817.db2.gz XQYYRKCNEUDSME-VIFPVBQESA-N 1 0 222.292 0.673 10 0 BCAERO C[NH2+]C[C@@H]1CCCN1c1ccnc(C)n1 ZINC000054937683 173370068 /nfs/dbraw/zinc/37/00/68/173370068.db2.gz XTJBRSSMOAWSQA-JTQLQIEISA-N 1 0 206.293 0.973 10 0 BCAERO C[NH2+]C[C@@H]1CCN(c2ccc(C(N)=O)cn2)C1 ZINC000071148418 173370381 /nfs/dbraw/zinc/37/03/81/173370381.db2.gz IRXLBVLHRKCGNJ-VIFPVBQESA-N 1 0 234.303 0.226 10 0 BCAERO C[NH2+]C[C@@H]1CC[C@H](CN2CCOCC2)O1 ZINC000052377915 173371851 /nfs/dbraw/zinc/37/18/51/173371851.db2.gz ATRRECAGFPPINA-WDEREUQCSA-N 1 0 214.309 0.086 10 0 BCAERO C[NH2+]C[C@@H]1CN(C[C@@H]2CCCO2)CCO1 ZINC000071519055 173372024 /nfs/dbraw/zinc/37/20/24/173372024.db2.gz IAHVAZXPTJARQR-WDEREUQCSA-N 1 0 214.309 0.086 10 0 BCAERO C[NH2+]C[C@@]1(CN2CCO[C@H](C)C2)CCOC1 ZINC000051210646 173372924 /nfs/dbraw/zinc/37/29/24/173372924.db2.gz GQDMHZVBAFKFIJ-VXGBXAGGSA-N 1 0 228.336 0.333 10 0 BCAERO C[NH2+]C[C@@]1(CN2CCOC[C@@H]2C)CCOC1 ZINC000051216812 173373177 /nfs/dbraw/zinc/37/31/77/173373177.db2.gz OJTXCVCZEDYCPA-NWDGAFQWSA-N 1 0 228.336 0.333 10 0 BCAERO C[NH2+]C[C@H](C)CN1CCn2ccnc2C1 ZINC000062325557 173375422 /nfs/dbraw/zinc/37/54/22/173375422.db2.gz ZONVEFUPWWHPKD-JTQLQIEISA-N 1 0 208.309 0.554 10 0 BCAERO C[NH2+]C[C@H](O)COCCc1scnc1C ZINC000019864979 173376544 /nfs/dbraw/zinc/37/65/44/173376544.db2.gz WXSUAPWLHOABTE-VIFPVBQESA-N 1 0 230.333 0.591 10 0 BCAERO C[NH2+]C[C@H](O)Cn1cnc2ccccc21 ZINC000019864182 173376752 /nfs/dbraw/zinc/37/67/52/173376752.db2.gz FPBFSZJCNDLQFN-VIFPVBQESA-N 1 0 205.261 0.617 10 0 BCAERO C[NH2+]C[C@H](O)CSc1nccn1C ZINC000019865085 173376912 /nfs/dbraw/zinc/37/69/12/173376912.db2.gz COQPOLUVNALALK-ZETCQYMHSA-N 1 0 201.295 0.093 10 0 BCAERO C[NH2+]C[C@H](O)COc1c(OC)cccc1OC ZINC000019864532 173376937 /nfs/dbraw/zinc/37/69/37/173376937.db2.gz FRYNCZLBOOBTQW-VIFPVBQESA-N 1 0 241.287 0.663 10 0 BCAERO C[NH2+]C[C@H]1CCCN(C(=O)c2cn[nH]c2)C1 ZINC000040594095 173379267 /nfs/dbraw/zinc/37/92/67/173379267.db2.gz VMXKYPYFVHXNEE-SECBINFHSA-N 1 0 222.292 0.481 10 0 BCAERO C[NH2+]C[C@H]1CN(CCC(C)C)CCO1 ZINC000071508096 173382949 /nfs/dbraw/zinc/38/29/49/173382949.db2.gz NYEWWVRTAGCWBB-NSHDSACASA-N 1 0 200.326 0.953 10 0 BCAERO C[NH2+]C[C@]1([C@H]2CCS(=O)(=O)C2)CCCOC1 ZINC000062193606 173383800 /nfs/dbraw/zinc/38/38/00/173383800.db2.gz WJBSWTHBOHCEBU-WDEREUQCSA-N 1 0 247.360 0.437 10 0 BCAERO C[NH2+]Cc1cc(C)nc(CS(C)(=O)=O)n1 ZINC000054831059 173385759 /nfs/dbraw/zinc/38/57/59/173385759.db2.gz HIGMKIIZUSXWTC-UHFFFAOYSA-N 1 0 229.305 0.049 10 0 BCAERO C[NH2+]Cc1cccc(NS(C)(=O)=O)c1 ZINC000036298501 173389623 /nfs/dbraw/zinc/38/96/23/173389623.db2.gz YETCEYLJPIKURI-UHFFFAOYSA-N 1 0 214.290 0.778 10 0 BCAERO C[NH2+]Cc1ccccc1N(C)C[C@H](O)COC ZINC000042511651 173390450 /nfs/dbraw/zinc/39/04/50/173390450.db2.gz KGLQAHNVISOPOR-LBPRGKRZSA-N 1 0 238.331 0.850 10 0 BCAERO C[NH2+]Cc1ccccc1NC(=O)[C@H]1CNC(=O)C1 ZINC000123049915 173390847 /nfs/dbraw/zinc/39/08/47/173390847.db2.gz KNCHXZIMEZMSKV-SNVBAGLBSA-N 1 0 247.298 0.481 10 0 BCAERO C[NH2+]Cc1cnc(-c2ncccn2)nc1 ZINC000054855432 173392112 /nfs/dbraw/zinc/39/21/12/173392112.db2.gz RTCHTARARBEPBG-UHFFFAOYSA-N 1 0 201.233 0.653 10 0 BCAERO C[NH2+]Cc1csc(N2CCOCC2)n1 ZINC000012370741 173393895 /nfs/dbraw/zinc/39/38/95/173393895.db2.gz QOWGXNCFGPNQIL-UHFFFAOYSA-N 1 0 213.306 0.699 10 0 BCAERO C[NH2+]Cc1nnnn1-c1cc(F)ccc1C ZINC000054744608 173398339 /nfs/dbraw/zinc/39/83/39/173398339.db2.gz ZAKGDLAGPAFXQA-UHFFFAOYSA-N 1 0 221.239 0.829 10 0 BCAERO C[NH2+]Cc1nnc2ccc(Br)nn21 ZINC000096987709 173398580 /nfs/dbraw/zinc/39/85/80/173398580.db2.gz XSUCBZAVCWJIQD-UHFFFAOYSA-N 1 0 242.080 0.606 10 0 BCAERO C[NH2+]Cc1nnnn1[C@H]1CCOc2ccccc21 ZINC000054746701 173398741 /nfs/dbraw/zinc/39/87/41/173398741.db2.gz QGZDFZRPMPFDJA-JTQLQIEISA-N 1 0 245.286 0.764 10 0 BCAERO C[NH2+]Cc1nnn(Cc2ccccc2)c1N ZINC000082286218 173398831 /nfs/dbraw/zinc/39/88/31/173398831.db2.gz BRAZSGHMUSRMGJ-UHFFFAOYSA-N 1 0 217.276 0.628 10 0 BCAERO C[NH2+][C@@H](C)CNS(=O)(=O)N1CCCCCC1 ZINC000234434035 173415996 /nfs/dbraw/zinc/41/59/96/173415996.db2.gz UTZJGBYDKHPDMX-JTQLQIEISA-N 1 0 249.380 0.305 10 0 BCAERO C[NH2+][C@@H]1CCCN(Cc2cc(=O)c(O)co2)C1 ZINC000053203974 173433241 /nfs/dbraw/zinc/43/32/41/173433241.db2.gz WDCKOYYUJSSBRF-SECBINFHSA-N 1 0 238.287 0.529 10 0 BCAERO C[NH2+][C@@H]1CCC[C@@H]1CN1CCS(=O)CC1 ZINC000053873292 173434414 /nfs/dbraw/zinc/43/44/14/173434414.db2.gz KHLYFOGALXMHGK-GHMZBOCLSA-N 1 0 230.377 0.439 10 0 BCAERO C[NH2+][C@@H]1CCC[C@H]1CN1CCS(=O)CC1 ZINC000053873296 173434482 /nfs/dbraw/zinc/43/44/82/173434482.db2.gz KHLYFOGALXMHGK-WDEREUQCSA-N 1 0 230.377 0.439 10 0 BCAERO C[NH2+][C@@H]1CCN(Cc2ccncc2)C1=O ZINC000049648610 173437049 /nfs/dbraw/zinc/43/70/49/173437049.db2.gz SGEQQCJDEKKBSW-SNVBAGLBSA-N 1 0 205.261 0.402 10 0 BCAERO C[NH2+][C@H](C(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000043300750 173443194 /nfs/dbraw/zinc/44/31/94/173443194.db2.gz PLUSLCKIXBAETQ-RKDXNWHRSA-N 1 0 205.323 0.665 10 0 BCAERO C[NH2+][C@H](C)CNC(=O)[C@@H]1CCCOC1 ZINC000234430745 173446310 /nfs/dbraw/zinc/44/63/10/173446310.db2.gz IIWCAOHIIZQHEK-RKDXNWHRSA-N 1 0 200.282 0.137 10 0 BCAERO C[NH2+][C@H](C)CNC(=O)c1cnn(C)c1C ZINC000234436664 173447254 /nfs/dbraw/zinc/44/72/54/173447254.db2.gz VRWFWXDNNFSVIZ-SSDOTTSWSA-N 1 0 210.281 0.066 10 0 BCAERO C[NH2+][C@H](CCO)[C@H]1COc2ccccc2O1 ZINC000095075743 173452284 /nfs/dbraw/zinc/45/22/84/173452284.db2.gz FCFPCDUIJMKLFZ-BXKDBHETSA-N 1 0 223.272 0.797 10 0 BCAERO C[NH2+][C@](C)(CCCCO[C@H]1CCOC1)C(N)=O ZINC000104112556 173469439 /nfs/dbraw/zinc/46/94/39/173469439.db2.gz QFMMHFXACZFXMS-CMPLNLGQSA-N 1 0 244.335 0.426 10 0 BCAERO COC(=O)C1(N2CCC[NH2+]CC2)CCC1 ZINC000052140379 173511052 /nfs/dbraw/zinc/51/10/52/173511052.db2.gz CZNRXLOYXHIXQX-UHFFFAOYSA-N 1 0 212.293 0.377 10 0 BCAERO C[C@]1(C(=O)NC[C@]2(C)CCCO2)CCC[NH2+]1 ZINC000087253777 487626602 /nfs/dbraw/zinc/62/66/02/487626602.db2.gz YCKADCPJWPZSFN-NWDGAFQWSA-N 1 0 226.320 0.814 10 0 BCAERO COC(=O)C[C@@H](C)[NH2+]C[C@@H]1CCCOC1 ZINC000038045609 173624091 /nfs/dbraw/zinc/62/40/91/173624091.db2.gz MILCATLCRNUJLI-ZJUUUORDSA-N 1 0 215.293 0.954 10 0 BCAERO COC(=O)[C@@H](C)CN(C)C(=O)n1cc[n+](C)c1 ZINC000042696646 173669370 /nfs/dbraw/zinc/66/93/70/173669370.db2.gz QFQLSNMQFPRVMT-VIFPVBQESA-N 1 0 240.283 0.022 10 0 BCAERO COC(=O)[C@H](C)C[N@@H+]1CCC[C@@](C)(O)C1 ZINC000123833227 173768411 /nfs/dbraw/zinc/76/84/11/173768411.db2.gz XEDIKBSFVIBBCH-MWLCHTKSSA-N 1 0 215.293 0.642 10 0 BCAERO COC(=O)[C@H](C)N1C[C@H]([NH+](C)C)[C@@H](C)C1 ZINC000124404650 173779955 /nfs/dbraw/zinc/77/99/55/173779955.db2.gz ICUDTZPKIDJENO-GUBZILKMSA-N 1 0 214.309 0.430 10 0 BCAERO COC(=O)[C@H]1CCCN1C(=O)[C@@H]1CCCC[NH2+]1 ZINC000037804193 173812073 /nfs/dbraw/zinc/81/20/73/173812073.db2.gz JYPXSILCMCHBRD-VHSXEESVSA-N 1 0 240.303 0.293 10 0 BCAERO COC1CC([NH2+][C@@H]2CCC(=O)N[C@H]2C)C1 ZINC000335913140 174018953 /nfs/dbraw/zinc/01/89/53/174018953.db2.gz BGYFUDRSLIVNPH-AUXWQGHOSA-N 1 0 212.293 0.421 10 0 BCAERO COC1CC([NH2+][C@H]2CCC(=O)N[C@@H]2C)C1 ZINC000335913143 174019847 /nfs/dbraw/zinc/01/98/47/174019847.db2.gz BGYFUDRSLIVNPH-WOOKNIGNSA-N 1 0 212.293 0.421 10 0 BCAERO COC1CCN(C(=O)[C@](C)([NH3+])C2CC2)CC1 ZINC000037654817 174027293 /nfs/dbraw/zinc/02/72/93/174027293.db2.gz OIGYYWPXOURBGX-GFCCVEGCSA-N 1 0 226.320 0.751 10 0 BCAERO COC1CC[NH+]([C@@H](CN)[C@H]2CCOC2)CC1 ZINC000037265805 174030377 /nfs/dbraw/zinc/03/03/77/174030377.db2.gz JZQHHJAEMOMHAK-JQWIXIFHSA-N 1 0 228.336 0.461 10 0 BCAERO COCC(=O)N(C)c1cccc(C[NH3+])c1 ZINC000061950248 174039304 /nfs/dbraw/zinc/03/93/04/174039304.db2.gz APQBHLYIZRYSLE-UHFFFAOYSA-N 1 0 208.261 0.755 10 0 BCAERO COCC(=O)N1CCC([NH2+][C@@H]2CCOC2)CC1 ZINC000104058093 174039839 /nfs/dbraw/zinc/03/98/39/174039839.db2.gz IRQYVERERUMTTA-LLVKDONJSA-N 1 0 242.319 0.002 10 0 BCAERO COCC(=O)N1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000051358011 174042855 /nfs/dbraw/zinc/04/28/55/174042855.db2.gz XVDUKAWXKLQTMK-ZJUUUORDSA-N 1 0 212.293 0.376 10 0 BCAERO COCC(=O)N1C[C@@H]2C[C@H]([NH3+])CC[C@@H]2C1 ZINC000048631731 174045640 /nfs/dbraw/zinc/04/56/40/174045640.db2.gz MAQJHQPRQCVAOH-KXUCPTDWSA-N 1 0 212.293 0.219 10 0 BCAERO COCC(=O)N1C[C@@H]2C[C@@H]([NH3+])CC[C@@H]2C1 ZINC000048631730 174045762 /nfs/dbraw/zinc/04/57/62/174045762.db2.gz MAQJHQPRQCVAOH-UTLUCORTSA-N 1 0 212.293 0.219 10 0 BCAERO COCC(C)(C)C[NH2+]C[C@H]1CN(C)CCO1 ZINC000309288063 174073326 /nfs/dbraw/zinc/07/33/26/174073326.db2.gz IOKQDTJVVBZOPZ-NSHDSACASA-N 1 0 230.352 0.579 10 0 BCAERO COCC(C)(C)NC(=O)[C@H]1CC[NH2+]C1 ZINC000135077080 174081388 /nfs/dbraw/zinc/08/13/88/174081388.db2.gz WDXVAQRQQFUUBJ-QMMMGPOBSA-N 1 0 200.282 0.137 10 0 BCAERO COCC1(C[N@@H+]2C[C@H](O)C[C@@H]2CO)CCC1 ZINC000361328525 174099755 /nfs/dbraw/zinc/09/97/55/174099755.db2.gz MZOYVCCQLSCXRY-GHMZBOCLSA-N 1 0 229.320 0.231 10 0 BCAERO COCCC(=O)N1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000053731830 174124092 /nfs/dbraw/zinc/12/40/92/174124092.db2.gz XPPOUSJHFPISMD-GHMZBOCLSA-N 1 0 226.320 0.766 10 0 BCAERO COCCC(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000061883699 174133704 /nfs/dbraw/zinc/13/37/04/174133704.db2.gz ZZEXJZSSYMBCPQ-DTWKUNHWSA-N 1 0 200.282 0.267 10 0 BCAERO COCCC(=O)N[C@@H](C[NH3+])Cc1ccccc1 ZINC000104303045 174133848 /nfs/dbraw/zinc/13/38/48/174133848.db2.gz YFMOTBHTIZNVDL-GFCCVEGCSA-N 1 0 236.315 0.709 10 0 BCAERO COCCC(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000061883700 174134797 /nfs/dbraw/zinc/13/47/97/174134797.db2.gz ZZEXJZSSYMBCPQ-IUCAKERBSA-N 1 0 200.282 0.267 10 0 BCAERO COCCCN(C)C(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000062034721 174212408 /nfs/dbraw/zinc/21/24/08/174212408.db2.gz UHKDWESDAPLWMD-MNOVXSKESA-N 1 0 228.336 0.999 10 0 BCAERO COCCCNC(=O)CN[C@@H](C)CC[NH+](C)C ZINC000049557071 174237507 /nfs/dbraw/zinc/23/75/07/174237507.db2.gz QUUCMKYAYQSHFX-NSHDSACASA-N 1 0 245.367 0.069 10 0 BCAERO COCCCNC(=O)[C@@H](C)O[C@@H]1CCC[NH2+]C1 ZINC000020422753 174243347 /nfs/dbraw/zinc/24/33/47/174243347.db2.gz VDAXFAOVAJPYTH-GHMZBOCLSA-N 1 0 244.335 0.296 10 0 BCAERO COCCCNC(=O)[C@@H](C)[NH2+]C[C@H]1CCCO1 ZINC000034938638 174243738 /nfs/dbraw/zinc/24/37/38/174243738.db2.gz SOKQXOWTPLHGFT-GHMZBOCLSA-N 1 0 244.335 0.296 10 0 BCAERO COCCCNC(=O)[C@H](C)OCC[NH2+]C(C)C ZINC000051862790 174244666 /nfs/dbraw/zinc/24/46/66/174244666.db2.gz YABKJGCNEMLYMT-NSHDSACASA-N 1 0 246.351 0.542 10 0 BCAERO COCCC[C@H](C)[NH2+][C@@H]1CCCNC1=O ZINC000336764381 174263879 /nfs/dbraw/zinc/26/38/79/174263879.db2.gz PSSHVRDQJVBYBS-VHSXEESVSA-N 1 0 214.309 0.670 10 0 BCAERO COCCN(C)C(=O)[C@@H]1CCC[C@@H](C)[NH2+]1 ZINC000042460180 174272156 /nfs/dbraw/zinc/27/21/56/174272156.db2.gz ZDRRZRIPQNVOCV-ZJUUUORDSA-N 1 0 214.309 0.622 10 0 BCAERO COCCN(C)C(=O)[C@H]1CC[C@H](C)[NH2+]C1 ZINC000042460169 174272953 /nfs/dbraw/zinc/27/29/53/174272953.db2.gz XECMSLCRZUYJQQ-UWVGGRQHSA-N 1 0 214.309 0.479 10 0 BCAERO COCCN(C)C(=O)[C@H]1CCC[C@@H](C)[NH2+]1 ZINC000042460176 174273021 /nfs/dbraw/zinc/27/30/21/174273021.db2.gz ZDRRZRIPQNVOCV-NXEZZACHSA-N 1 0 214.309 0.622 10 0 BCAERO COCCN(C)C(=O)[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000042460167 174273317 /nfs/dbraw/zinc/27/33/17/174273317.db2.gz XECMSLCRZUYJQQ-ZJUUUORDSA-N 1 0 214.309 0.479 10 0 BCAERO COCCN(C)c1ncc2n1CC[NH2+]C2 ZINC000089195612 174285099 /nfs/dbraw/zinc/28/50/99/174285099.db2.gz NDZGMDFXULGOOI-UHFFFAOYSA-N 1 0 210.281 0.069 10 0 BCAERO COCCN([C@@H](C[NH3+])c1cnn(C)c1)C1CC1 ZINC000042517908 174285664 /nfs/dbraw/zinc/28/56/64/174285664.db2.gz BBVINVFHBDTKBE-LBPRGKRZSA-N 1 0 238.335 0.531 10 0 BCAERO COCC[N@H+](CC(C)C)[C@H](CN)[C@@H]1CCOC1 ZINC000042368160 174287262 /nfs/dbraw/zinc/28/72/62/174287262.db2.gz YEQDJGNIGWYRSJ-CHWSQXEVSA-N 1 0 244.379 0.955 10 0 BCAERO COCCN(CCOC)C(=O)[C@@](C)([NH3+])C1CC1 ZINC000037614584 174296520 /nfs/dbraw/zinc/29/65/20/174296520.db2.gz UGWKDZZTTSVYKE-LBPRGKRZSA-N 1 0 244.335 0.235 10 0 BCAERO COCC[NH+](CCOC)C[C@@H](O)COC(C)C ZINC000070192328 174296634 /nfs/dbraw/zinc/29/66/34/174296634.db2.gz LSORSAXHXVHUMX-GFCCVEGCSA-N 1 0 249.351 0.367 10 0 BCAERO COCC[N@H+]([C@H](C)COC)[C@@H]1CCC[C@@H]1O ZINC000044415293 174302343 /nfs/dbraw/zinc/30/23/43/174302343.db2.gz AXQSOEYOSGSTLB-UTUOFQBUSA-N 1 0 231.336 0.883 10 0 BCAERO COCCN(c1nccnc1C(N)=[NH2+])C1CC1 ZINC000054379919 174303920 /nfs/dbraw/zinc/30/39/20/174303920.db2.gz YTIVYQXXERJQDK-UHFFFAOYSA-N 1 0 235.291 0.376 10 0 BCAERO COCCN1C[C@@H](C[NH2+]C(C)C)CC1=O ZINC000077306606 174317016 /nfs/dbraw/zinc/31/70/16/174317016.db2.gz GWHAJCGEDPZUCX-SNVBAGLBSA-N 1 0 214.309 0.479 10 0 BCAERO COCCNC(=O)[C@@H](C)N[C@H](C)CC[NH+](C)C ZINC000049557796 174325477 /nfs/dbraw/zinc/32/54/77/174325477.db2.gz QGQKGMNQCVZDAP-GHMZBOCLSA-N 1 0 245.367 0.067 10 0 BCAERO COCCNC(=O)[C@@H](C)OC[C@@H]1CCCC[NH2+]1 ZINC000051815713 174325566 /nfs/dbraw/zinc/32/55/66/174325566.db2.gz QDIWVVPFBMZPNP-MNOVXSKESA-N 1 0 244.335 0.296 10 0 BCAERO COCCNC(=O)[C@H](C)N[C@H](C)CC[NH+](C)C ZINC000049557794 174326297 /nfs/dbraw/zinc/32/62/97/174326297.db2.gz QGQKGMNQCVZDAP-MNOVXSKESA-N 1 0 245.367 0.067 10 0 BCAERO COCCNC(=O)[C@H](C)N[C@@H](C)CC[NH+](C)C ZINC000049557793 174326706 /nfs/dbraw/zinc/32/67/06/174326706.db2.gz QGQKGMNQCVZDAP-QWRGUYRKSA-N 1 0 245.367 0.067 10 0 BCAERO COCCNC(=O)[C@H](C)O[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000050211609 174326720 /nfs/dbraw/zinc/32/67/20/174326720.db2.gz FSFFOBYILNBMJW-VWYCJHECSA-N 1 0 244.335 0.295 10 0 BCAERO COCC[NH2+]CCN(C)CCCn1ccnc1 ZINC000042428083 174332577 /nfs/dbraw/zinc/33/25/77/174332577.db2.gz GIENQZGZSOIRIZ-UHFFFAOYSA-N 1 0 240.351 0.441 10 0 BCAERO COCC[NH2+]Cc1cc(C(N)=O)ccc1F ZINC000020036288 174334311 /nfs/dbraw/zinc/33/43/11/174334311.db2.gz HQYGLNNDSSIZLI-UHFFFAOYSA-N 1 0 226.251 0.661 10 0 BCAERO COCC[NH2+]C[C@H]1CCCCN1CC(C)(C)O ZINC000104421613 174334734 /nfs/dbraw/zinc/33/47/34/174334734.db2.gz XGXTZLFILCRTBO-GFCCVEGCSA-N 1 0 244.379 0.848 10 0 BCAERO COCCNc1ccnc(N2CC[C@H]([NH3+])C2)n1 ZINC000057330437 174341971 /nfs/dbraw/zinc/34/19/71/174341971.db2.gz HQVZHCLQDYHTFG-VIFPVBQESA-N 1 0 237.307 0.072 10 0 BCAERO COCCOCCN1CC[C@@H](C[NH2+]C(C)C)C1 ZINC000053033892 174355420 /nfs/dbraw/zinc/35/54/20/174355420.db2.gz GUYGMAADTZPKRA-ZDUSSCGKSA-N 1 0 244.379 0.969 10 0 BCAERO COCCOCCNC(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000055089754 174357057 /nfs/dbraw/zinc/35/70/57/174357057.db2.gz QMRGSHQIQOLTEZ-QWRGUYRKSA-N 1 0 244.335 0.283 10 0 BCAERO COCCOc1ccc([C@@H](O)C[NH3+])cc1 ZINC000032012485 174368743 /nfs/dbraw/zinc/36/87/43/174368743.db2.gz WAYJJZPAHPUARX-NSHDSACASA-N 1 0 211.261 0.704 10 0 BCAERO COCCOc1ccc([C@](C)(O)C[NH3+])cc1 ZINC000032015002 174369390 /nfs/dbraw/zinc/36/93/90/174369390.db2.gz HVOBPHOQJUMTHU-GFCCVEGCSA-N 1 0 225.288 0.878 10 0 BCAERO COCCOc1cccc([C@H](O)C[NH3+])c1 ZINC000032012492 174369724 /nfs/dbraw/zinc/36/97/24/174369724.db2.gz JYKCJJSODXACHN-LLVKDONJSA-N 1 0 211.261 0.704 10 0 BCAERO COCC[C@@H](COC)[NH2+]Cc1cnn(C)c1C ZINC000336684133 174391703 /nfs/dbraw/zinc/39/17/03/174391703.db2.gz FNJGATAXLQGRSR-LBPRGKRZSA-N 1 0 241.335 0.870 10 0 BCAERO COCC[C@@H]([NH3+])c1nc2cccnc2[nH]1 ZINC000052785290 174392468 /nfs/dbraw/zinc/39/24/68/174392468.db2.gz UQDCIGWMJQIMJG-SSDOTTSWSA-N 1 0 206.249 0.994 10 0 BCAERO COC[C@@H](C)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000237156747 174437061 /nfs/dbraw/zinc/43/70/61/174437061.db2.gz FVANTKLYBCOEFC-APPZFPTMSA-N 1 0 200.282 0.122 10 0 BCAERO COC[C@H]([NH3+])CN(C)C(=O)c1cccc(F)c1 ZINC000104322289 174575324 /nfs/dbraw/zinc/57/53/24/174575324.db2.gz MAVODYSNBBEWAA-LLVKDONJSA-N 1 0 240.278 0.871 10 0 BCAERO COC[C@H]([NH2+][C@H]1CCC(=O)N[C@H]1C)C(C)C ZINC000336764236 174586883 /nfs/dbraw/zinc/58/68/83/174586883.db2.gz NBNUTFZALUQMIX-DCAQKATOSA-N 1 0 228.336 0.914 10 0 BCAERO CO[C@@H]1C[NH2+][C@@H](CN(C)C2CCOCC2)C1 ZINC000040637536 174770036 /nfs/dbraw/zinc/77/00/36/174770036.db2.gz VZPJUGIBUFEHNV-PWSUYJOCSA-N 1 0 228.336 0.474 10 0 BCAERO CO[C@H](C(=O)N(C)C1C[NH2+]C1)c1ccccc1 ZINC000090289848 174796901 /nfs/dbraw/zinc/79/69/01/174796901.db2.gz QDJCQXWJHUQHGE-LBPRGKRZSA-N 1 0 234.299 0.804 10 0 BCAERO CO[C@H]1CCN(C(=O)[C@H]2CCC[C@@H]2[NH3+])C1 ZINC000234804738 174886085 /nfs/dbraw/zinc/88/60/85/174886085.db2.gz CVDRVSXQARLTAB-GUBZILKMSA-N 1 0 212.293 0.361 10 0 BCAERO CO[C@H]1C[NH2+][C@@H](C(=O)NCC(C)C)C1 ZINC000040629475 174899349 /nfs/dbraw/zinc/89/93/49/174899349.db2.gz MBFDNJURTZPUGL-RKDXNWHRSA-N 1 0 200.282 0.136 10 0 BCAERO CO[C@H]1C[NH2+][C@@H](C(=O)NC(C)(C)C)C1 ZINC000040629380 174899372 /nfs/dbraw/zinc/89/93/72/174899372.db2.gz ZGMSCYCTVJGHPT-HTQZYQBOSA-N 1 0 200.282 0.278 10 0 BCAERO CO[C@H]1C[NH2+]C[C@H]1NC(=O)c1ccccc1 ZINC000036235683 174899404 /nfs/dbraw/zinc/89/94/04/174899404.db2.gz APBFNPSNMMEXBX-MNOVXSKESA-N 1 0 220.272 0.403 10 0 BCAERO CO[C@H]1C[NH2+][C@H](C(=O)NCC2CCCC2)C1 ZINC000040631648 174899675 /nfs/dbraw/zinc/89/96/75/174899675.db2.gz QGKNXOYQJUAWFA-MNOVXSKESA-N 1 0 226.320 0.670 10 0 BCAERO CO[C@H]1C[NH2+]C[C@H]1NC(=O)c1occc1C ZINC000036235789 174899900 /nfs/dbraw/zinc/89/99/00/174899900.db2.gz WCOVAQNSGKBZKY-BDAKNGLRSA-N 1 0 224.260 0.305 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)NC[C@H](O)C(C)(C)C ZINC000324559784 487629220 /nfs/dbraw/zinc/62/92/20/487629220.db2.gz YESHVHVTCBIJKO-ZJUUUORDSA-N 1 0 230.352 0.883 10 0 BCAERO COc1c(C[NH2+]C[C@H](O)C(C)C)c(C)nn1C ZINC000134699873 174928293 /nfs/dbraw/zinc/92/82/93/174928293.db2.gz ALJOGLMCCVDZMC-NSHDSACASA-N 1 0 241.335 0.844 10 0 BCAERO COc1cc(CNC(=O)C(C)(C)[NH3+])ccn1 ZINC000059928988 174982389 /nfs/dbraw/zinc/98/23/89/174982389.db2.gz TXIDLMMEVMSEGH-UHFFFAOYSA-N 1 0 223.276 0.444 10 0 BCAERO COc1cc(OC)c(OC)cc1CNCC[NH3+] ZINC000037712279 175007526 /nfs/dbraw/zinc/00/75/26/175007526.db2.gz ZNQBZACYVILSED-UHFFFAOYSA-N 1 0 240.303 0.761 10 0 BCAERO COc1cc(OC)cc(OC[C@H]([NH3+])CO)c1 ZINC000071533114 175010136 /nfs/dbraw/zinc/01/01/36/175010136.db2.gz GRRBLIBUVYIYRV-MRVPVSSYSA-N 1 0 227.260 0.402 10 0 BCAERO COc1cc(OC)nc(N[C@H]2CCC[NH2+]C2)n1 ZINC000135009366 175012200 /nfs/dbraw/zinc/01/22/00/175012200.db2.gz MANCROQPVUUZPZ-QMMMGPOBSA-N 1 0 238.291 0.658 10 0 BCAERO COc1cc(OC)nc(NC[C@@H]2CC[NH2+]C2)n1 ZINC000135011484 175012318 /nfs/dbraw/zinc/01/23/18/175012318.db2.gz ADEQWYVQUHHBST-MRVPVSSYSA-N 1 0 238.291 0.515 10 0 BCAERO COc1cc([C@@H]([NH3+])C(N)=O)cc(OC)c1OC ZINC000037514999 175014093 /nfs/dbraw/zinc/01/40/93/175014093.db2.gz IFMIHVOWIZLFKY-SECBINFHSA-N 1 0 240.259 0.198 10 0 BCAERO COc1cc([C@@H]([NH2+]C2CC2)C(N)=O)ccc1O ZINC000037946666 175014200 /nfs/dbraw/zinc/01/42/00/175014200.db2.gz SOPOTNYZBLEPQV-LLVKDONJSA-N 1 0 236.271 0.679 10 0 BCAERO COc1cc([C@@H]([NH2+]C(C)C)C(N)=O)ccc1O ZINC000037943558 175014452 /nfs/dbraw/zinc/01/44/52/175014452.db2.gz SEPLPFNNWPLBDL-LLVKDONJSA-N 1 0 238.287 0.925 10 0 BCAERO COc1cc2c(c(OC)c1)[C@@H](O)[C@@H](C[NH3+])CN2 ZINC000068590382 175020072 /nfs/dbraw/zinc/02/00/72/175020072.db2.gz BAOYMHOOASNSOB-MADCSZMMSA-N 1 0 238.287 0.738 10 0 BCAERO COc1cc2c(c(OC)c1)[C@H](O)[C@@H](C[NH3+])CN2 ZINC000068590380 175020458 /nfs/dbraw/zinc/02/04/58/175020458.db2.gz BAOYMHOOASNSOB-JVXZTZIISA-N 1 0 238.287 0.738 10 0 BCAERO COc1ccc(C(=O)N2C[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000090321464 175058060 /nfs/dbraw/zinc/05/80/60/175058060.db2.gz LMURERRHDMDFGM-VXGBXAGGSA-N 1 0 246.310 0.987 10 0 BCAERO COc1ccc(C(=O)N[C@@H]2C[C@@H]2[NH3+])c(O)c1 ZINC000036234761 175063169 /nfs/dbraw/zinc/06/31/69/175063169.db2.gz DACQNWXJOHMPHF-DTWKUNHWSA-N 1 0 222.244 0.230 10 0 BCAERO COc1ccc(C(=O)N[C@H]2C[C@@H]2[NH3+])cc1F ZINC000061669252 175063900 /nfs/dbraw/zinc/06/39/00/175063900.db2.gz MRRVYIQPCRMUID-IUCAKERBSA-N 1 0 224.235 0.664 10 0 BCAERO COc1ccc(C)cc1C(=O)N[C@H]1C[C@H]1[NH3+] ZINC000052943793 175073732 /nfs/dbraw/zinc/07/37/32/175073732.db2.gz YRJNZHCSWGZDOH-ZJUUUORDSA-N 1 0 220.272 0.833 10 0 BCAERO COc1ccc(CC[C@H]([NH3+])CO)c(OC)c1 ZINC000071532236 175093815 /nfs/dbraw/zinc/09/38/15/175093815.db2.gz JJUINDFGWWQDLN-JTQLQIEISA-N 1 0 225.288 0.956 10 0 BCAERO COc1ccc(CNC(=O)[C@@H]2CCC[NH2+]C2)cn1 ZINC000040828405 175104967 /nfs/dbraw/zinc/10/49/67/175104967.db2.gz HLNHHJYDJCXRRW-LLVKDONJSA-N 1 0 249.314 0.706 10 0 BCAERO COc1ccc(C[C@@](C)([NH3+])C(N)=O)cc1 ZINC000070820356 175116379 /nfs/dbraw/zinc/11/63/79/175116379.db2.gz XDYQSLSZAOGOBR-LLVKDONJSA-N 1 0 208.261 0.440 10 0 BCAERO COc1ccc(C[C@H]([NH3+])C(N)=O)cc1OC ZINC000034235459 175117114 /nfs/dbraw/zinc/11/71/14/175117114.db2.gz BHNKSDJNSKZZRR-QMMMGPOBSA-N 1 0 224.260 0.059 10 0 BCAERO COc1ccc(N2CC[C@@]3(CCC[NH2+]3)C2)nn1 ZINC000038212959 175139032 /nfs/dbraw/zinc/13/90/32/175139032.db2.gz QSSIQJNDVNWZIP-LBPRGKRZSA-N 1 0 234.303 0.818 10 0 BCAERO COc1ccc(N2CC[C@@H]([NH3+])C2=O)cc1F ZINC000049648152 175139414 /nfs/dbraw/zinc/13/94/14/175139414.db2.gz GECCRPBIOGOYSL-SECBINFHSA-N 1 0 224.235 0.898 10 0 BCAERO COc1ccc(N2C[C@@H]([NH3+])CC2=O)c(OC)c1 ZINC000035679737 175139584 /nfs/dbraw/zinc/13/95/84/175139584.db2.gz DNWNTPZBRDGLSP-QMMMGPOBSA-N 1 0 236.271 0.768 10 0 BCAERO COc1ccc(NC[C@@H](O)CC[NH3+])cc1 ZINC000071512258 175151894 /nfs/dbraw/zinc/15/18/94/175151894.db2.gz GOZQJEIJRURZDT-JTQLQIEISA-N 1 0 210.277 0.817 10 0 BCAERO COc1ccc(NS(=O)(=O)CC[NH3+])c(C)c1 ZINC000032101725 175153282 /nfs/dbraw/zinc/15/32/82/175153282.db2.gz JOUONADCDZONTI-UHFFFAOYSA-N 1 0 244.316 0.704 10 0 BCAERO COc1ccc(OC)c(N(C)C[C@@H](O)C[NH3+])c1 ZINC000077386175 175166168 /nfs/dbraw/zinc/16/61/68/175166168.db2.gz MQZCHNJXSCKSAN-VIFPVBQESA-N 1 0 240.303 0.460 10 0 BCAERO COc1ccc(OCC(N)=O)c(C[C@H](C)[NH3+])c1 ZINC000037722542 175172069 /nfs/dbraw/zinc/17/20/69/175172069.db2.gz MCBRYHUMPWBPQP-QMMMGPOBSA-N 1 0 238.287 0.449 10 0 BCAERO COc1ccc(OCc2n[nH]c(C[NH3+])n2)cc1 ZINC000072236515 175173199 /nfs/dbraw/zinc/17/31/99/175173199.db2.gz PTEZFWKHMMXJFP-UHFFFAOYSA-N 1 0 234.259 0.851 10 0 BCAERO COc1ccc([C@@H](O)[C@@H]([NH3+])CO)cc1C ZINC000077304563 175181168 /nfs/dbraw/zinc/18/11/68/175181168.db2.gz GVFFSJDGUKTUNM-GXSJLCMTSA-N 1 0 211.261 0.357 10 0 BCAERO COc1ccc([C@@](C)([NH3+])C(N)=O)cc1F ZINC000037460123 175186027 /nfs/dbraw/zinc/18/60/27/175186027.db2.gz KCZFHTZOGOYSSY-SNVBAGLBSA-N 1 0 212.224 0.494 10 0 BCAERO COc1cccc(-n2nncc2C[NH3+])c1 ZINC000062240649 175239837 /nfs/dbraw/zinc/23/98/37/175239837.db2.gz PNRFHDXJWRBZBC-UHFFFAOYSA-N 1 0 204.233 0.735 10 0 BCAERO COc1cccc(CNC(=O)[C@H]2CCC[NH2+]2)n1 ZINC000237185071 175262294 /nfs/dbraw/zinc/26/22/94/175262294.db2.gz KHSVSTYOVJHEJU-SNVBAGLBSA-N 1 0 235.287 0.458 10 0 BCAERO COc1cccc(NC(=O)C[NH2+]C[C@H](C)O)c1 ZINC000035101830 175276359 /nfs/dbraw/zinc/27/63/59/175276359.db2.gz UGKMJZNMTWEISX-VIFPVBQESA-N 1 0 238.287 0.604 10 0 BCAERO COc1cccc(OC)c1OC(=O)NCC[NH3+] ZINC000071550036 175281441 /nfs/dbraw/zinc/28/14/41/175281441.db2.gz URTCSYGEIJCYJX-UHFFFAOYSA-N 1 0 240.259 0.751 10 0 BCAERO COc1cccc(OC[C@@](C)(O)C[NH3+])c1OC ZINC000019668081 175284496 /nfs/dbraw/zinc/28/44/96/175284496.db2.gz VQEOQDHHJNMNBE-LBPRGKRZSA-N 1 0 241.287 0.792 10 0 BCAERO COc1cccc([C@H](C[NH3+])N2CCNC(=O)C2)c1 ZINC000043025713 175293866 /nfs/dbraw/zinc/29/38/66/175293866.db2.gz NOXXXOVMOPHPLH-LBPRGKRZSA-N 1 0 249.314 0.127 10 0 BCAERO COc1cccc([C@H](O)C[NH2+]CCN(C)C)c1 ZINC000032090321 175294735 /nfs/dbraw/zinc/29/47/35/175294735.db2.gz HSEJIOKMXIQBHX-CYBMUJFWSA-N 1 0 238.331 0.880 10 0 BCAERO COc1cccc2cc(C(=O)NCC[NH3+])[nH]c21 ZINC000032500329 175306435 /nfs/dbraw/zinc/30/64/35/175306435.db2.gz RACOKRGDXNCAHL-UHFFFAOYSA-N 1 0 233.271 0.865 10 0 BCAERO COc1cccc2cc(C(=O)NCC[NH3+])n(C)c21 ZINC000032500330 175306605 /nfs/dbraw/zinc/30/66/05/175306605.db2.gz HPAIPZGJIGNDDI-UHFFFAOYSA-N 1 0 247.298 0.875 10 0 BCAERO COc1ccccc1-c1nc(C[NH3+])cc(=O)[nH]1 ZINC000058053952 175310477 /nfs/dbraw/zinc/31/04/77/175310477.db2.gz UAVFQXRRQOLBCG-UHFFFAOYSA-N 1 0 231.255 0.904 10 0 BCAERO COc1ccccc1C(=O)NC1CC([NH3+])C1 ZINC000036237034 175317919 /nfs/dbraw/zinc/31/79/19/175317919.db2.gz UTRCOIMTGJCVDB-UHFFFAOYSA-N 1 0 220.272 0.915 10 0 BCAERO COc1ccccc1CC(=O)N(C)C1C[NH2+]C1 ZINC000090289712 175320796 /nfs/dbraw/zinc/32/07/96/175320796.db2.gz SMGAFMHAWLKHRX-UHFFFAOYSA-N 1 0 234.299 0.668 10 0 BCAERO COc1ccccc1N(C)C[C@H](O)CC[NH3+] ZINC000077337132 175335983 /nfs/dbraw/zinc/33/59/83/175335983.db2.gz QJFPBHGRLJYAFV-SNVBAGLBSA-N 1 0 224.304 0.841 10 0 BCAERO COc1ccccc1OCC[C@@H]([NH3+])CO ZINC000071518186 175342021 /nfs/dbraw/zinc/34/20/21/175342021.db2.gz CIRJNAIVMYSFET-SECBINFHSA-N 1 0 211.261 0.784 10 0 BCAERO COc1ccnc(N2C[C@@H](C)[C@@H]([NH3+])C2)n1 ZINC000235010877 175362627 /nfs/dbraw/zinc/36/26/27/175362627.db2.gz UURZGYHCSSCTCB-SFYZADRCSA-N 1 0 208.265 0.269 10 0 BCAERO COc1ccnc(NC[C@@H]2CCC[NH2+]C2)n1 ZINC000044503005 175364971 /nfs/dbraw/zinc/36/49/71/175364971.db2.gz VFJGFWGMPXTPGH-SECBINFHSA-N 1 0 222.292 0.897 10 0 BCAERO COc1cncc(N2C[C@@H]3CC[NH2+]C[C@@H]32)c1 ZINC000033966496 175386463 /nfs/dbraw/zinc/38/64/63/175386463.db2.gz IQCDZVRYLPBQRD-CABZTGNLSA-N 1 0 219.288 0.888 10 0 BCAERO COc1nc(N[C@H]2CC[N@H+](C)C2)ccc1N ZINC000042544958 175395741 /nfs/dbraw/zinc/39/57/41/175395741.db2.gz OETXJFUWKNCWIR-QMMMGPOBSA-N 1 0 222.292 0.788 10 0 BCAERO CS(=O)(=O)c1cccc(C[NH3+])c1F ZINC000075915300 175438500 /nfs/dbraw/zinc/43/85/00/175438500.db2.gz BTRMHHFLIAEGSI-UHFFFAOYSA-N 1 0 203.238 0.688 10 0 BCAERO Cc1cnc(C)c(N2CCO[C@@H]([C@H](C)[NH3+])C2)n1 ZINC000228374289 487630654 /nfs/dbraw/zinc/63/06/54/487630654.db2.gz WUPYADLTPXCGQQ-GXSJLCMTSA-N 1 0 236.319 0.646 10 0 BCAERO Cc1cc(C)nc(N2CCO[C@@H]([C@H](C)[NH3+])C2)n1 ZINC000228376426 487630660 /nfs/dbraw/zinc/63/06/60/487630660.db2.gz QFFBNIBWBVCQNO-WDEREUQCSA-N 1 0 236.319 0.646 10 0 BCAERO CSCC[NH2+][C@@H]1CCC(=O)N[C@@H]1C ZINC000308184966 175498555 /nfs/dbraw/zinc/49/85/55/175498555.db2.gz INSNZYFHHUPHEW-HTQZYQBOSA-N 1 0 202.323 0.606 10 0 BCAERO CSCC[C@H]([NH3+])[C@@H]1CCS(=O)(=O)C1 ZINC000043300146 175508169 /nfs/dbraw/zinc/50/81/69/175508169.db2.gz WJWXDQUKLKWZLJ-SFYZADRCSA-N 1 0 223.363 0.502 10 0 BCAERO CSCc1noc([C@@H](C)N2CC[NH2+]CC2)n1 ZINC000054494062 175533813 /nfs/dbraw/zinc/53/38/13/175533813.db2.gz AMNNNGKIVXGWGX-MRVPVSSYSA-N 1 0 242.348 0.899 10 0 BCAERO C[C@@H](C(=O)N(C)C)N(CC[NH3+])Cc1ccccc1 ZINC000038033158 175599801 /nfs/dbraw/zinc/59/98/01/175599801.db2.gz ORQSRFDIVKWRTE-LBPRGKRZSA-N 1 0 249.358 0.924 10 0 BCAERO C[C@@H](C(=O)N(C)C)N(C)C1CC[NH2+]CC1 ZINC000036301540 175599961 /nfs/dbraw/zinc/59/99/61/175599961.db2.gz MCZVDYWLNRUBHA-VIFPVBQESA-N 1 0 213.325 0.147 10 0 BCAERO C[C@@H](C[NH3+])C(=O)Nc1nnc(C2CC2)o1 ZINC000054345075 175706139 /nfs/dbraw/zinc/70/61/39/175706139.db2.gz LOPIEFBHVZSDBL-YFKPBYRVSA-N 1 0 210.237 0.480 10 0 BCAERO C[C@@H](C[NH3+])N(C)c1ccc(S(C)(=O)=O)cc1 ZINC000125487817 175709707 /nfs/dbraw/zinc/70/97/07/175709707.db2.gz SYGBNOYIBFPGGQ-VIFPVBQESA-N 1 0 242.344 0.874 10 0 BCAERO C[C@@H](C[NH3+])N1CCN(c2nccs2)CC1 ZINC000019271910 175709780 /nfs/dbraw/zinc/70/97/80/175709780.db2.gz MVIXVTOYGZGMAV-VIFPVBQESA-N 1 0 226.349 0.612 10 0 BCAERO C[C@@H]([NH3+])CC(=O)N(C)C1CCOCC1 ZINC000037476420 175802047 /nfs/dbraw/zinc/80/20/47/175802047.db2.gz CJFFVXKXZZVYJY-MRVPVSSYSA-N 1 0 200.282 0.361 10 0 BCAERO C[C@@H]([NH3+])C[C@H](N)C(=O)OCc1ccccc1 ZINC000211278791 175806332 /nfs/dbraw/zinc/80/63/32/175806332.db2.gz OIFHBCFJMGXTFY-KOLCDFICSA-N 1 0 222.288 0.794 10 0 BCAERO C[C@@H]([NH3+])[C@H](c1cccnc1)N1CCOCC1 ZINC000043345407 175813698 /nfs/dbraw/zinc/81/36/98/175813698.db2.gz ZNMZEIUOJHUMNN-ZYHUDNBSSA-N 1 0 221.304 0.802 10 0 BCAERO C[C@@H](NC(=O)CN(C)CC[NH3+])c1ccccc1 ZINC000054418627 175831327 /nfs/dbraw/zinc/83/13/27/175831327.db2.gz QAXIOCHFZSKHKR-LLVKDONJSA-N 1 0 235.331 0.754 10 0 BCAERO C[C@@H](O)CN(C)C(=O)C[C@H]1CCCC[NH2+]1 ZINC000051839576 175963292 /nfs/dbraw/zinc/96/32/92/175963292.db2.gz SCTVOWAKBIKFBA-NXEZZACHSA-N 1 0 214.309 0.358 10 0 BCAERO C[C@@H](O)[C@@H]([NH3+])c1nc2ccccc2n1C ZINC000034962066 175993238 /nfs/dbraw/zinc/99/32/38/175993238.db2.gz RFQGRYPUDYVWSR-GMSGAONNSA-N 1 0 205.261 0.954 10 0 BCAERO C[C@@H](OC1CCC([NH3+])CC1)C(=O)NC1CC1 ZINC000055142894 176002423 /nfs/dbraw/zinc/00/24/23/176002423.db2.gz YYRPRNDHRGBGQH-FKTRJACZSA-N 1 0 226.320 0.940 10 0 BCAERO C[C@@H](OC[C@H]1CCCC[NH2+]1)C(=O)N(C)C ZINC000051815711 176003040 /nfs/dbraw/zinc/00/30/40/176003040.db2.gz LAVNEXYIYBGCSO-NXEZZACHSA-N 1 0 214.309 0.622 10 0 BCAERO C[C@@H](OC[C@@H]1CCC[NH2+]C1)C(=O)N(C)C ZINC000051815213 176003131 /nfs/dbraw/zinc/00/31/31/176003131.db2.gz SDVAIAYBDSTKQX-NXEZZACHSA-N 1 0 214.309 0.479 10 0 BCAERO C[C@@H]([NH3+])c1ccc(O[C@H](C)C(N)=O)cc1 ZINC000020419264 176004528 /nfs/dbraw/zinc/00/45/28/176004528.db2.gz OUNKBDGIISWARW-HTQZYQBOSA-N 1 0 208.261 0.959 10 0 BCAERO C[C@@H]([C@@H]1CCC[NH2+]C1)N1CCCS1(=O)=O ZINC000035688589 176011774 /nfs/dbraw/zinc/01/17/74/176011774.db2.gz CNUZMNWDMUMCPT-VHSXEESVSA-N 1 0 232.349 0.410 10 0 BCAERO C[C@@H]([C@H]1CCCC[NH2+]1)N1C(=O)CCC1=O ZINC000035691828 176012022 /nfs/dbraw/zinc/01/20/22/176012022.db2.gz JNFGMSRVNLRSFM-DTWKUNHWSA-N 1 0 210.277 0.666 10 0 BCAERO C[C@@H]1CCC[C@@](CO)([NH2+]CC(N)=O)C1 ZINC000053126870 176133556 /nfs/dbraw/zinc/13/35/56/176133556.db2.gz BCSSAQAFIGBDKQ-PSASIEDQSA-N 1 0 200.282 0.003 10 0 BCAERO C[C@@H]1CCCN1C(=O)CN1CCC[NH2+]CC1 ZINC000061272866 176104052 /nfs/dbraw/zinc/10/40/52/176104052.db2.gz BQOITOKHSQXYLA-LLVKDONJSA-N 1 0 225.336 0.293 10 0 BCAERO C[C@@H]1CCCN1S(=O)(=O)C1CC[NH2+]CC1 ZINC000049644226 176109658 /nfs/dbraw/zinc/10/96/58/176109658.db2.gz ISHMPQWEHAJSCQ-SECBINFHSA-N 1 0 232.349 0.553 10 0 BCAERO C[C@@H]1CCC[NH2+][C@@H]1CNC(=O)c1cnn(C)c1 ZINC000071338720 176112800 /nfs/dbraw/zinc/11/28/00/176112800.db2.gz VNNXVNMLBYZOPK-MWLCHTKSSA-N 1 0 236.319 0.538 10 0 BCAERO C[C@@H]1CCC[NH2+][C@H]1C(=O)N1CCOCC1 ZINC000051791948 176112964 /nfs/dbraw/zinc/11/29/64/176112964.db2.gz JMGPBRPDUMTQKQ-NXEZZACHSA-N 1 0 212.293 0.233 10 0 BCAERO C[C@@H]1CCC[C@@H](C)C12NC(=O)N(CC[NH3+])C2=O ZINC000019413380 176113734 /nfs/dbraw/zinc/11/37/34/176113734.db2.gz DIRDBTMTYDHNNL-RKDXNWHRSA-N 1 0 239.319 0.692 10 0 BCAERO C[C@@H]1CCC[C@@H](C)N1S(=O)(=O)CCC[NH3+] ZINC000037719397 176116801 /nfs/dbraw/zinc/11/68/01/176116801.db2.gz SLJISJPAKOHUFH-NXEZZACHSA-N 1 0 234.365 0.928 10 0 BCAERO C[C@@H]1CCC[C@@H](NS(=O)(=O)CC[NH3+])[C@@H]1C ZINC000019256491 176124217 /nfs/dbraw/zinc/12/42/17/176124217.db2.gz ZACOIGMLQRGQNW-OPRDCNLKSA-N 1 0 234.365 0.689 10 0 BCAERO C[C@@H]1CCC[C@@](CO)([NH2+]C[C@H](O)CN(C)C)C1 ZINC000053125764 176133383 /nfs/dbraw/zinc/13/33/83/176133383.db2.gz RIWAZCVFLMRUBM-FRRDWIJNSA-N 1 0 244.379 0.440 10 0 BCAERO C[C@@H]1CCC[C@H](CNC(=O)NC2CC2)[NH2+]1 ZINC000054457141 176138507 /nfs/dbraw/zinc/13/85/07/176138507.db2.gz RSIQVQTWUPOUOE-PSASIEDQSA-N 1 0 211.309 0.979 10 0 BCAERO C[C@@H]1CCN(C(=O)[C@H]2CCCOC2)[C@@H](C[NH3+])C1 ZINC000235319013 176161671 /nfs/dbraw/zinc/16/16/71/176161671.db2.gz PKSMIQWYTCQCEA-GRYCIOLGSA-N 1 0 240.347 0.999 10 0 BCAERO C[C@@H]1CCN(C(=O)[C@H]2CCOC2)[C@@H](C[NH3+])C1 ZINC000235319465 176161711 /nfs/dbraw/zinc/16/17/11/176161711.db2.gz ASOMNUZOWWAPIT-OUAUKWLOSA-N 1 0 226.320 0.609 10 0 BCAERO C[C@@H]1CCN(CC(=O)N(C)C2CC2)[C@@H](C[NH3+])C1 ZINC000224846104 176166604 /nfs/dbraw/zinc/16/66/04/176166604.db2.gz WHHPTOBEQBKFGU-ZYHUDNBSSA-N 1 0 239.363 0.666 10 0 BCAERO C[C@@H]1CCN(C2(C[NH3+])CCS(=O)(=O)CC2)C1 ZINC000042332393 176167648 /nfs/dbraw/zinc/16/76/48/176167648.db2.gz ABNKGEGLLFNSMQ-SNVBAGLBSA-N 1 0 246.376 0.234 10 0 BCAERO C[C@@H]1CCN(CCS(C)(=O)=O)CCC[NH2+]1 ZINC000049662683 176170698 /nfs/dbraw/zinc/17/06/98/176170698.db2.gz NTCLOPXIFVGTRL-SNVBAGLBSA-N 1 0 234.365 0.105 10 0 BCAERO C[C@@H]1CCN(S(C)(=O)=O)[C@@H](C[NH3+])C1 ZINC000235288724 176180959 /nfs/dbraw/zinc/18/09/59/176180959.db2.gz LNWIDOFUQNDFOL-HTQZYQBOSA-N 1 0 206.311 0.005 10 0 BCAERO C[C@@H]1CC[C@@H](C(=O)NCc2ccnn2C)C[NH2+]1 ZINC000071335565 176195643 /nfs/dbraw/zinc/19/56/43/176195643.db2.gz RXJAXDVQUNXDQW-NXEZZACHSA-N 1 0 236.319 0.424 10 0 BCAERO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1CC(C)(C)O ZINC000042438563 176196804 /nfs/dbraw/zinc/19/68/04/176196804.db2.gz NLCXZAQPBSNWIB-RKDXNWHRSA-N 1 0 214.309 0.343 10 0 BCAERO C[C@@H]1CC[C@@H](CNS(=O)(=O)C(F)F)C[NH2+]1 ZINC000062037449 176206151 /nfs/dbraw/zinc/20/61/51/176206151.db2.gz QBNVROMQFVTKLE-RNFRBKRXSA-N 1 0 242.291 0.517 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)N2CCO[C@H](C)C2)C[NH2+]1 ZINC000034717575 176219450 /nfs/dbraw/zinc/21/94/50/176219450.db2.gz JGPWRMNHPHZRFE-MXWKQRLJSA-N 1 0 226.320 0.622 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)N2CCn3ccnc3C2)C[NH2+]1 ZINC000062256677 176219568 /nfs/dbraw/zinc/21/95/68/176219568.db2.gz QQBPAHXLRDBEBM-MNOVXSKESA-N 1 0 248.330 0.613 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)NC2CCOCC2)C[NH2+]1 ZINC000036319912 176220767 /nfs/dbraw/zinc/22/07/67/176220767.db2.gz NCQLMRRFGRBQSN-ZJUUUORDSA-N 1 0 226.320 0.670 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)NCCn2ccnc2)C[NH2+]1 ZINC000042542782 176220905 /nfs/dbraw/zinc/22/09/05/176220905.db2.gz FHAHTUMKKAOWNJ-MNOVXSKESA-N 1 0 236.319 0.387 10 0 BCAERO C[C@@H]1CN(C(=O)C2(C[NH3+])CCC2)CCO1 ZINC000087670371 176243181 /nfs/dbraw/zinc/24/31/81/176243181.db2.gz HIYAFXPRAQSQCN-SECBINFHSA-N 1 0 212.293 0.363 10 0 BCAERO C[C@@H]1CN(C(=O)[C@@H]2CCCC[NH2+]2)C[C@@H](C)O1 ZINC000019409358 176254668 /nfs/dbraw/zinc/25/46/68/176254668.db2.gz AHOAANZCHLOTSA-MXWKQRLJSA-N 1 0 226.320 0.764 10 0 BCAERO C[C@@H](C(=O)N1CCO[C@H](C)C1)C1C[NH2+]C1 ZINC000129030057 176256747 /nfs/dbraw/zinc/25/67/47/176256747.db2.gz NIGLLIUSHUWMMR-RKDXNWHRSA-N 1 0 212.293 0.089 10 0 BCAERO C[C@@H]1CN(C(=O)[C@H]([NH3+])C(C)(C)C)CCCO1 ZINC000077472553 176257634 /nfs/dbraw/zinc/25/76/34/176257634.db2.gz CUZKIJVJLQAIAX-ZJUUUORDSA-N 1 0 228.336 0.997 10 0 BCAERO C[C@@H]1CN(C(=O)c2cccnc2)C[C@H]1[NH3+] ZINC000235370574 176262721 /nfs/dbraw/zinc/26/27/21/176262721.db2.gz OEUVPBGEDNIHJY-PSASIEDQSA-N 1 0 205.261 0.501 10 0 BCAERO C[C@@H]1CN(C(=O)c2ccnc(C[NH3+])c2)CCO1 ZINC000129906586 176263753 /nfs/dbraw/zinc/26/37/53/176263753.db2.gz VOHMHGRUGZJQGD-SECBINFHSA-N 1 0 235.287 0.401 10 0 BCAERO C[C@@H]1CN(C2(C[NH3+])CCOCC2)C[C@@H](C)O1 ZINC000036304783 176279615 /nfs/dbraw/zinc/27/96/15/176279615.db2.gz FSVTZBRAAJUWOZ-GHMZBOCLSA-N 1 0 228.336 0.604 10 0 BCAERO C[C@@H]1CN(C2(C[NH3+])CCOCC2)[C@H](C)CO1 ZINC000036304961 176280602 /nfs/dbraw/zinc/28/06/02/176280602.db2.gz PCOMUNOEZOEOTG-GHMZBOCLSA-N 1 0 228.336 0.604 10 0 BCAERO C[C@@H]1CN(CC(=O)N2CCCCCC2)C[C@@H]1[NH3+] ZINC000235336564 176283503 /nfs/dbraw/zinc/28/35/03/176283503.db2.gz LDTDXFPYFLWWDX-NEPJUHHUSA-N 1 0 239.363 0.668 10 0 BCAERO C[C@@H]1CN(CCCCCO)[C@H](C)C[NH2+]1 ZINC000083118681 176287820 /nfs/dbraw/zinc/28/78/20/176287820.db2.gz HYZPFLPSNAEBKB-GHMZBOCLSA-N 1 0 200.326 0.831 10 0 BCAERO C[C@@H]1CN(CCOCC(F)(F)F)C[C@@H]1[NH3+] ZINC000235368110 176293072 /nfs/dbraw/zinc/29/30/72/176293072.db2.gz IHDITRCQQWCGIL-SFYZADRCSA-N 1 0 226.242 0.844 10 0 BCAERO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)C[C@H]1C(N)=O ZINC000339189622 176297237 /nfs/dbraw/zinc/29/72/37/176297237.db2.gz LRAFGYCRILBXDJ-KXUCPTDWSA-N 1 0 212.293 0.219 10 0 BCAERO C[C@@H]1CN(S(=O)(=O)CC[NH+]2CCCC2)[C@@H]1C ZINC000336300209 176313462 /nfs/dbraw/zinc/31/34/62/176313462.db2.gz AQEDHMWPHVEBDK-GHMZBOCLSA-N 1 0 246.376 0.752 10 0 BCAERO C[C@@H]1CN(c2ncc(C[NH3+])s2)CCO1 ZINC000054864321 176320880 /nfs/dbraw/zinc/32/08/80/176320880.db2.gz PUWVUVHZOKNGFF-SSDOTTSWSA-N 1 0 213.306 0.827 10 0 BCAERO C[C@@H]1CN(c2ncncc2Cl)C[C@@H]1[NH3+] ZINC000235344426 176321804 /nfs/dbraw/zinc/32/18/04/176321804.db2.gz KXNGYERYHCWEQM-SVRRBLITSA-N 1 0 212.684 0.913 10 0 BCAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccnnc1 ZINC000245708809 176323151 /nfs/dbraw/zinc/32/31/51/176323151.db2.gz YEBUMYGRUOYNSO-PWSUYJOCSA-N 1 0 246.314 0.785 10 0 BCAERO C[C@@H]1C[NH2+]CCN1C(=O)c1ccc(=O)oc1 ZINC000054370053 176327126 /nfs/dbraw/zinc/32/71/26/176327126.db2.gz PRCSTJVFMLLEIS-MRVPVSSYSA-N 1 0 222.244 0.074 10 0 BCAERO C[C@@H]1C[NH2+]CCN1CCCC(=O)N(C)C ZINC000054374707 176327154 /nfs/dbraw/zinc/32/71/54/176327154.db2.gz IASQQHVBUJPEKM-SNVBAGLBSA-N 1 0 213.325 0.149 10 0 BCAERO C[C@@H]1C[NH2+]CCN1CC(=O)c1ccccn1 ZINC000095069599 176327224 /nfs/dbraw/zinc/32/72/24/176327224.db2.gz ZFLVYTMBDJSRNP-SNVBAGLBSA-N 1 0 219.288 0.558 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCOC[C@H]1C ZINC000235283626 176329729 /nfs/dbraw/zinc/32/97/29/176329729.db2.gz CXBXYGHYUXCJFC-OPRDCNLKSA-N 1 0 212.293 0.089 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1ncccc1O ZINC000125450481 176329741 /nfs/dbraw/zinc/32/97/41/176329741.db2.gz CVRAWVVPLFZZLQ-HTQZYQBOSA-N 1 0 221.260 0.581 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)NCCc1ccncc1 ZINC000104211443 176330268 /nfs/dbraw/zinc/33/02/68/176330268.db2.gz KLBMBWCNJJZGDC-ZYHUDNBSSA-N 1 0 233.315 0.596 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)NCCOC1CCCC1 ZINC000111640660 176330275 /nfs/dbraw/zinc/33/02/75/176330275.db2.gz DUEOIKQNHGJMAC-ZYHUDNBSSA-N 1 0 240.347 0.917 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N(C)C[C@H]1CCCCO1 ZINC000235278027 176330361 /nfs/dbraw/zinc/33/03/61/176330361.db2.gz FXNUDMZZUKNDIE-IJLUTSLNSA-N 1 0 240.347 0.869 10 0 BCAERO C[C@@H]1COCCN1C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000084309521 176334905 /nfs/dbraw/zinc/33/49/05/176334905.db2.gz QGGWSYFFVUDPES-GMTAPVOTSA-N 1 0 226.320 0.609 10 0 BCAERO C[C@@H]1COC[C@@H](C)N1C(=O)c1coc(C[NH3+])c1 ZINC000187863515 176345713 /nfs/dbraw/zinc/34/57/13/176345713.db2.gz ZCAXRBZZDYPAOI-RKDXNWHRSA-N 1 0 238.287 0.988 10 0 BCAERO C[C@@H]1CSC(NC2CCS(=O)(=O)CC2)=[NH+]1 ZINC000036332487 176349090 /nfs/dbraw/zinc/34/90/90/176349090.db2.gz ASHKNPJFLBFTPP-SSDOTTSWSA-N 1 0 248.373 0.645 10 0 BCAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]C[C@@H]1CCCCO1 ZINC000336737141 176456013 /nfs/dbraw/zinc/45/60/13/176456013.db2.gz JDHOBGSSLDLXKI-GARJFASQSA-N 1 0 226.320 0.812 10 0 BCAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NCC(F)F ZINC000147778544 176457383 /nfs/dbraw/zinc/45/73/83/176457383.db2.gz MTWGGDADDWSFMR-BQBZGAKWSA-N 1 0 206.236 0.756 10 0 BCAERO C[C@@H]1OCC[C@@H]1NC(=O)C[C@@H]1CC[NH2+]C1 ZINC000134556985 176469888 /nfs/dbraw/zinc/46/98/88/176469888.db2.gz DFBUBLRKTHFMSG-GUBZILKMSA-N 1 0 212.293 0.280 10 0 BCAERO C[C@@H]1OCC[C@@H]1NC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000134552875 176471327 /nfs/dbraw/zinc/47/13/27/176471327.db2.gz JBIFFFLNONYSSA-ZDCRXTMVSA-N 1 0 226.320 0.655 10 0 BCAERO C[C@@]1(C(=O)N2CCC[C@H]2CO)CCC[NH2+]C1 ZINC000062859729 176522659 /nfs/dbraw/zinc/52/26/59/176522659.db2.gz HILQSYRSCWPOIY-CMPLNLGQSA-N 1 0 226.320 0.359 10 0 BCAERO C[C@H](C(=O)N1CCO[C@@H]2CCC[C@H]21)C1C[NH2+]C1 ZINC000229208532 176563931 /nfs/dbraw/zinc/56/39/31/176563931.db2.gz KSNUWWDAJSJTLD-MVWJERBFSA-N 1 0 238.331 0.622 10 0 BCAERO C[C@H](C(=O)N1C[C@@H](C)OC[C@H]1C)C1C[NH2+]C1 ZINC000129100602 176565808 /nfs/dbraw/zinc/56/58/08/176565808.db2.gz HPMMISIISMKTCI-BBBLOLIVSA-N 1 0 226.320 0.478 10 0 BCAERO C[C@H](CC[NH+](C)C)NC(=O)c1cccnc1N ZINC000050709904 176625316 /nfs/dbraw/zinc/62/53/16/176625316.db2.gz FOLJOURHGWJTDS-SECBINFHSA-N 1 0 236.319 0.734 10 0 BCAERO C[C@H](C[NH3+])CN1C(=O)CC(C)(C)CC1=O ZINC000061824498 176658185 /nfs/dbraw/zinc/65/81/85/176658185.db2.gz MPWZQFRFBWJHPD-MRVPVSSYSA-N 1 0 212.293 0.756 10 0 BCAERO C[C@H](C[NH3+])NS(=O)(=O)C1CCCCC1 ZINC000040366608 176662415 /nfs/dbraw/zinc/66/24/15/176662415.db2.gz SAFRBCPSRXDMGX-MRVPVSSYSA-N 1 0 220.338 0.586 10 0 BCAERO C[C@H](CO)C[NH2+][C@@H]1CCC(=O)NC1(C)C ZINC000309011316 176694591 /nfs/dbraw/zinc/69/45/91/176694591.db2.gz RYOIUIAXVWWWIJ-DTWKUNHWSA-N 1 0 214.309 0.262 10 0 BCAERO C[C@H]([NH3+])Cc1cnn(Cc2cnn(C)c2)c1 ZINC000054741415 176762680 /nfs/dbraw/zinc/76/26/80/176762680.db2.gz WBMMXGXUAHECDB-VIFPVBQESA-N 1 0 219.292 0.555 10 0 BCAERO C[C@H]([NH3+])[C@@H](c1cnn(C)c1)N1CCSCC1 ZINC000043126796 176765835 /nfs/dbraw/zinc/76/58/35/176765835.db2.gz SCGKOMDLXSWJCK-ONGXEEELSA-N 1 0 240.376 0.857 10 0 BCAERO C[C@H]([NH3+])[C@H](C)C(=O)NC[C@@H]1CCCC[C@H]1O ZINC000248504539 176769669 /nfs/dbraw/zinc/76/96/69/176769669.db2.gz VMWFVDHXLLDMIJ-XWLWVQCSSA-N 1 0 228.336 0.637 10 0 BCAERO C[C@H]([NH3+])[C@H](O)c1ccc2c(c1)OCCO2 ZINC000032012131 176771293 /nfs/dbraw/zinc/77/12/93/176771293.db2.gz NIGVRCFJVXFFNZ-CPCISQLKSA-N 1 0 209.245 0.838 10 0 BCAERO C[C@H]([NH3+])c1ccc(F)cc1OCC(N)=O ZINC000062745182 176775729 /nfs/dbraw/zinc/77/57/29/176775729.db2.gz DRJNBZWOASYGQV-LURJTMIESA-N 1 0 212.224 0.710 10 0 BCAERO C[C@H]([NH2+]C1CCS(=O)(=O)CC1)c1cc[nH]n1 ZINC000037907173 176830531 /nfs/dbraw/zinc/83/05/31/176830531.db2.gz ZAAGKSISAKSAEY-QMMMGPOBSA-N 1 0 243.332 0.638 10 0 BCAERO C[C@H](N[C@@H]1CCC[NH2+]C1)c1nncn1C ZINC000043326347 176895401 /nfs/dbraw/zinc/89/54/01/176895401.db2.gz ZSVKUNMMHSUVHO-DTWKUNHWSA-N 1 0 209.297 0.218 10 0 BCAERO C[C@H](O)[C@@H]([NH3+])C(=O)NCc1ccccc1 ZINC000083345395 177006242 /nfs/dbraw/zinc/00/62/42/177006242.db2.gz XYGPIPVQJFTIPL-WCBMZHEXSA-N 1 0 208.261 0.011 10 0 BCAERO C[C@H](O)[C@@H]1CN(C(=O)OC(C)(C)C)CC[NH2+]1 ZINC000082347383 177009394 /nfs/dbraw/zinc/00/93/94/177009394.db2.gz XOXBPNDQYPIGEC-IUCAKERBSA-N 1 0 230.308 0.576 10 0 BCAERO C[C@H](O)[C@H]([NH3+])c1nc2ccccc2n1CCO ZINC000037900699 177014261 /nfs/dbraw/zinc/01/42/61/177014261.db2.gz SYCOPVJSRSZLNJ-KWQFWETISA-N 1 0 235.287 0.409 10 0 BCAERO C[C@H](O)[C@H]1CN(C(=O)OC(C)(C)C)CC[NH2+]1 ZINC000082347387 177016321 /nfs/dbraw/zinc/01/63/21/177016321.db2.gz XOXBPNDQYPIGEC-DTWKUNHWSA-N 1 0 230.308 0.576 10 0 BCAERO C[C@H](OCC[NH3+])C(=O)N1CCCCC1 ZINC000051864271 177021012 /nfs/dbraw/zinc/02/10/12/177021012.db2.gz YJZQNNCCSTXBIP-VIFPVBQESA-N 1 0 200.282 0.363 10 0 BCAERO C[C@H]([C@@H]1CCCC[NH2+]1)N1CCCS1(=O)=O ZINC000035688651 177030688 /nfs/dbraw/zinc/03/06/88/177030688.db2.gz ONPURDMHEMKNNP-ZJUUUORDSA-N 1 0 232.349 0.553 10 0 BCAERO C[C@H]([C@H]1CCC[NH2+]C1)N1CCS(=O)(=O)CC1 ZINC000050164350 177031364 /nfs/dbraw/zinc/03/13/64/177031364.db2.gz QRTYFWJQMJFPFP-MNOVXSKESA-N 1 0 246.376 0.105 10 0 BCAERO C[C@H](c1ccccc1)n1nnnc1C[NH3+] ZINC000054745633 177041496 /nfs/dbraw/zinc/04/14/96/177041496.db2.gz REOIMTVKIYIQBM-MRVPVSSYSA-N 1 0 203.249 0.741 10 0 BCAERO C[C@H](c1ccccn1)N1C[C@H]([NH3+])CC1=O ZINC000035695669 177044275 /nfs/dbraw/zinc/04/42/75/177044275.db2.gz INIYBDJMQLJBFN-RKDXNWHRSA-N 1 0 205.261 0.702 10 0 BCAERO C[C@H](c1ccncc1)N(C)C(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000037823950 177049977 /nfs/dbraw/zinc/04/99/77/177049977.db2.gz CRKBISUKLPWCKG-USWWRNFRSA-N 1 0 249.314 0.324 10 0 BCAERO C[C@H](c1nc2c(c(=O)[nH]1)CCC2)N1CC[NH2+]CC1 ZINC000104058603 177053061 /nfs/dbraw/zinc/05/30/61/177053061.db2.gz HQCIZDIDOIGWSR-SECBINFHSA-N 1 0 248.330 0.225 10 0 BCAERO C[C@H](c1nnc2ccccn21)N1CC[NH2+]CC1 ZINC000051640122 177054577 /nfs/dbraw/zinc/05/45/77/177054577.db2.gz RIGQPSXPKKFINU-SNVBAGLBSA-N 1 0 231.303 0.696 10 0 BCAERO C[C@H](c1noc(-c2cn[nH]c2)n1)N1CC[NH2+]CC1 ZINC000104066827 177055836 /nfs/dbraw/zinc/05/58/36/177055836.db2.gz LOJWLZRVFOOPKC-MRVPVSSYSA-N 1 0 248.290 0.426 10 0 BCAERO C[C@H]1CC(=O)N(C[C@H]([NH3+])C(C)(C)C)C1=O ZINC000103974253 177061908 /nfs/dbraw/zinc/06/19/08/177061908.db2.gz IULPKNCDKNWDGM-YUMQZZPRSA-N 1 0 212.293 0.755 10 0 BCAERO C[C@H]1CCCCN1C(=O)CN1CCC[C@H]1C[NH3+] ZINC000251565139 177072308 /nfs/dbraw/zinc/07/23/08/177072308.db2.gz AMAPIQLOKKTPNJ-RYUDHWBXSA-N 1 0 239.363 0.811 10 0 BCAERO C[C@H]1CCCC[C@@H]1NS(=O)(=O)CC[NH3+] ZINC000022177296 177083531 /nfs/dbraw/zinc/08/35/31/177083531.db2.gz IRWFLRLYQWCQME-IUCAKERBSA-N 1 0 220.338 0.443 10 0 BCAERO C[C@H]1CCC[C@](CO)(NC(=O)CC[NH3+])C1 ZINC000053127803 177143588 /nfs/dbraw/zinc/14/35/88/177143588.db2.gz QGGPNIVBZRVXEW-ONGXEEELSA-N 1 0 214.309 0.393 10 0 BCAERO C[C@H]1CCC[C@@H](C(=O)N2CCS(=O)CC2)[NH2+]1 ZINC000049692894 177112991 /nfs/dbraw/zinc/11/29/91/177112991.db2.gz AVOIMMOJDQRMIE-UWVGGRQHSA-N 1 0 244.360 0.108 10 0 BCAERO C[C@H]1CCC[C@@H](CN2CCCNC2=O)[NH2+]1 ZINC000051574908 177119233 /nfs/dbraw/zinc/11/92/33/177119233.db2.gz VGHNEQWJQIEXQS-UWVGGRQHSA-N 1 0 211.309 0.932 10 0 BCAERO C[C@H]1CCC[C@@](CO)(NC(=O)C(C)(C)[NH3+])C1 ZINC000053127465 177127568 /nfs/dbraw/zinc/12/75/68/177127568.db2.gz MKMMKGWJWSIHFP-JOYOIKCWSA-N 1 0 228.336 0.781 10 0 BCAERO C[C@H]1CCC[C@H](C(=O)NC2CCC(O)CC2)[NH2+]1 ZINC000019517963 177128863 /nfs/dbraw/zinc/12/88/63/177128863.db2.gz ZWZZCSMOIFIRBT-WNYYMSAVSA-N 1 0 240.347 0.937 10 0 BCAERO C[C@H]1CCC[C@H](C(=O)NCCn2ccnc2)[NH2+]1 ZINC000042542797 177129127 /nfs/dbraw/zinc/12/91/27/177129127.db2.gz FIMZEAPGUBTAHH-WDEREUQCSA-N 1 0 236.319 0.530 10 0 BCAERO C[C@H]1CCC[C@H](C[NH3+])N1CC(=O)N1CCCC1 ZINC000104157011 177133094 /nfs/dbraw/zinc/13/30/94/177133094.db2.gz CIAFQSPMCFWWPW-NWDGAFQWSA-N 1 0 239.363 0.811 10 0 BCAERO C[C@H]1CCC[C@H]1[NH2+][C@@H]1CCS(=O)(=O)C1 ZINC000070829036 177143022 /nfs/dbraw/zinc/14/30/22/177143022.db2.gz IKFBCOUHOSRGOR-IVZWLZJFSA-N 1 0 217.334 0.952 10 0 BCAERO C[C@H]1CCN(C(=O)C2CCOCC2)[C@H](C[NH3+])C1 ZINC000235649058 177146417 /nfs/dbraw/zinc/14/64/17/177146417.db2.gz ADLIDOQJHAOYJF-JQWIXIFHSA-N 1 0 240.347 0.999 10 0 BCAERO C[C@H]1CCN(C(=O)CN2CCC[NH2+]CC2)C1 ZINC000061273522 177148001 /nfs/dbraw/zinc/14/80/01/177148001.db2.gz AHPKOWQRTYEECD-NSHDSACASA-N 1 0 225.336 0.150 10 0 BCAERO CC(C)(C)[C@@H](O)CNC(=O)[C@H]([NH3+])CC(F)F ZINC000324645070 487637125 /nfs/dbraw/zinc/63/71/25/487637125.db2.gz YNGFYYLEAQSQRZ-RQJHMYQMSA-N 1 0 238.278 0.492 10 0 BCAERO C[C@H]1CCN(C2CCS(=O)(=O)CC2)CC[NH2+]1 ZINC000049662056 177156805 /nfs/dbraw/zinc/15/68/05/177156805.db2.gz KUSFPSVRJRLRQR-JTQLQIEISA-N 1 0 246.376 0.247 10 0 BCAERO C[C@H]1CCN(CC(=O)N(C)C2CC2)[C@H](C[NH3+])C1 ZINC000111679872 177156910 /nfs/dbraw/zinc/15/69/10/177156910.db2.gz WHHPTOBEQBKFGU-JQWIXIFHSA-N 1 0 239.363 0.666 10 0 BCAERO C[C@H]1CCN(CC(=O)NC2CC2)[C@H](C[NH3+])C1 ZINC000082643395 177158694 /nfs/dbraw/zinc/15/86/94/177158694.db2.gz KOEGBUAMUKCMBK-ONGXEEELSA-N 1 0 225.336 0.324 10 0 BCAERO C[C@H]1CCN(CC(=O)NC(C)(C)C)[C@H](C[NH3+])C1 ZINC000111679892 177159374 /nfs/dbraw/zinc/15/93/74/177159374.db2.gz RZNHMSPPRFAAFS-QWRGUYRKSA-N 1 0 241.379 0.960 10 0 BCAERO C[C@H]1CCN(S(=O)(=O)CC2CC2)[C@@H](C[NH3+])C1 ZINC000235621161 177169096 /nfs/dbraw/zinc/16/90/96/177169096.db2.gz SNLONKZOQZDNHS-GXSJLCMTSA-N 1 0 246.376 0.785 10 0 BCAERO C[C@H]1CCN([C@]2(C)CCS(=O)(=O)C2)CC[NH2+]1 ZINC000044932730 177170189 /nfs/dbraw/zinc/17/01/89/177170189.db2.gz MBJAAGWOYAXRIZ-WDEREUQCSA-N 1 0 246.376 0.247 10 0 BCAERO C[C@H]1CC[C@@H](C(=O)N2CCN(C)CC2)C[NH2+]1 ZINC000019505392 177180864 /nfs/dbraw/zinc/18/08/64/177180864.db2.gz NVOARLXWJDARDJ-WDEREUQCSA-N 1 0 225.336 0.149 10 0 BCAERO C[C@H]1CC[C@@H](C(=O)NC2CCOCC2)C[NH2+]1 ZINC000036319915 177181069 /nfs/dbraw/zinc/18/10/69/177181069.db2.gz NCQLMRRFGRBQSN-VHSXEESVSA-N 1 0 226.320 0.670 10 0 BCAERO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1[C@@H]1CCC[C@@H]1C[NH3+] ZINC000042428220 177182152 /nfs/dbraw/zinc/18/21/52/177182152.db2.gz RGOCRBQYDIONLZ-IRCOFANPSA-N 1 0 239.363 0.700 10 0 BCAERO C[C@H]1CC[C@@H](C[NH3+])CN1c1nccn1C ZINC000053704628 177189817 /nfs/dbraw/zinc/18/98/17/177189817.db2.gz QEJVADFRWYWYHC-UWVGGRQHSA-N 1 0 208.309 0.984 10 0 BCAERO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1[C@@H]1CCC[C@@H]1C[NH3+] ZINC000042428218 177198018 /nfs/dbraw/zinc/19/80/18/177198018.db2.gz RGOCRBQYDIONLZ-WHOHXGKFSA-N 1 0 239.363 0.700 10 0 BCAERO C[C@H]1CN(C(=O)C2[C@@H]3CCC[C@H]23)CC[NH2+]1 ZINC000132733326 177214152 /nfs/dbraw/zinc/21/41/52/177214152.db2.gz WHWWWOMTYRTJGK-GKDVJIACSA-N 1 0 208.305 0.853 10 0 BCAERO C[C@H]1CN(C(=O)C[C@H]2CC[NH2+]C2)CCS1 ZINC000122369844 177217247 /nfs/dbraw/zinc/21/72/47/177217247.db2.gz YIQHMIDXJFRLKQ-VHSXEESVSA-N 1 0 228.361 0.950 10 0 BCAERO C[C@H]1CN(C(=O)C[C@@H]2CCC[NH2+]C2)CCO1 ZINC000054290518 177217511 /nfs/dbraw/zinc/21/75/11/177217511.db2.gz UUFUAHOKGMCIJR-QWRGUYRKSA-N 1 0 226.320 0.623 10 0 BCAERO C[C@H]1CN(C(=O)N2CC[NH2+]CC2)[C@@H](C)CO1 ZINC000035783727 177219664 /nfs/dbraw/zinc/21/96/64/177219664.db2.gz LKGIJBICENMZQY-UWVGGRQHSA-N 1 0 227.308 0.121 10 0 BCAERO C[C@H]1CN(C(=O)[C@@H]2CC[NH2+]C2)CC(C)(C)O1 ZINC000062116693 177223095 /nfs/dbraw/zinc/22/30/95/177223095.db2.gz AWANLIBPCITDMQ-VHSXEESVSA-N 1 0 226.320 0.622 10 0 BCAERO C[C@H]1CN(C(=O)[C@@](C)([NH3+])C2CC2)CCCO1 ZINC000061920378 177223830 /nfs/dbraw/zinc/22/38/30/177223830.db2.gz JCCALAZXDUCYAL-CABZTGNLSA-N 1 0 226.320 0.751 10 0 BCAERO C[C@H]1CN(C(=O)[C@H]2CCC[NH2+]C2)CCO1 ZINC000019409658 177224711 /nfs/dbraw/zinc/22/47/11/177224711.db2.gz MYNSEOJBMMRFRF-UWVGGRQHSA-N 1 0 212.293 0.233 10 0 BCAERO C[C@H]1CN(C(=O)[C@H]2CCCO2)[C@@H](C)C[NH2+]1 ZINC000163650511 177225085 /nfs/dbraw/zinc/22/50/85/177225085.db2.gz YADYLRYPZVVJPG-LPEHRKFASA-N 1 0 212.293 0.374 10 0 BCAERO C[C@H]1CN(C(=O)c2n[nH]c3ccccc32)C[C@H]1[NH3+] ZINC000235728514 177225835 /nfs/dbraw/zinc/22/58/35/177225835.db2.gz CEQPJBGNWIAFQM-WCBMZHEXSA-N 1 0 244.298 0.982 10 0 BCAERO C[C@H]1CN(C(=O)c2ccc3c(c2)OCO3)C[C@@H]1[NH3+] ZINC000235691261 177227660 /nfs/dbraw/zinc/22/76/60/177227660.db2.gz CQAFDZBOBKIZLH-WPRPVWTQSA-N 1 0 248.282 0.835 10 0 BCAERO C[C@H]1CN(C(=O)c2ccnc(C[NH3+])c2)C[C@H](C)O1 ZINC000129905260 177228724 /nfs/dbraw/zinc/22/87/24/177228724.db2.gz RPLDDBMDICIOLP-UWVGGRQHSA-N 1 0 249.314 0.790 10 0 BCAERO C[C@H]1CN(C(=O)c2ccncc2)C[C@@H]1[NH3+] ZINC000235672178 177229079 /nfs/dbraw/zinc/22/90/79/177229079.db2.gz FQRRATPNSPLIFT-WPRPVWTQSA-N 1 0 205.261 0.501 10 0 BCAERO C[C@@H]1CN(C2(C[NH3+])CCOCC2)C[C@H](C)O1 ZINC000036304779 177240170 /nfs/dbraw/zinc/24/01/70/177240170.db2.gz FSVTZBRAAJUWOZ-PHIMTYICSA-N 1 0 228.336 0.604 10 0 BCAERO C[C@H]1CN(CC(=O)N(C)c2ccccc2)C[C@@H]1[NH3+] ZINC000235642594 177243164 /nfs/dbraw/zinc/24/31/64/177243164.db2.gz XHVKEUYPXQDXTK-AAEUAGOBSA-N 1 0 247.342 0.928 10 0 BCAERO C[C@H]1CN(CC2(C[NH3+])CCOCC2)C[C@H](C)O1 ZINC000052180780 177244786 /nfs/dbraw/zinc/24/47/86/177244786.db2.gz KFBUJWIQXGDVPX-RYUDHWBXSA-N 1 0 242.363 0.851 10 0 BCAERO C[C@H]1CN(CC2(C[NH3+])CCOCC2)CCO1 ZINC000052180858 177245738 /nfs/dbraw/zinc/24/57/38/177245738.db2.gz DLUDRQDPOBUSJS-NSHDSACASA-N 1 0 228.336 0.463 10 0 BCAERO C[C@@H]1C[NH2+][C@@H](C)CN1CCCCCO ZINC000083118683 177248763 /nfs/dbraw/zinc/24/87/63/177248763.db2.gz HYZPFLPSNAEBKB-WDEREUQCSA-N 1 0 200.326 0.831 10 0 BCAERO C[C@H]1CN(Cc2cc(C[NH3+])co2)CCO1 ZINC000052382574 177260924 /nfs/dbraw/zinc/26/09/24/177260924.db2.gz DCOAIBWRUMGYRN-VIFPVBQESA-N 1 0 210.277 0.959 10 0 BCAERO C[C@H]1CN(Cc2ccccc2)C(=O)[C@@H]1[NH3+] ZINC000216074101 177264971 /nfs/dbraw/zinc/26/49/71/177264971.db2.gz VHQDHZUMYNZYFR-GXSJLCMTSA-N 1 0 204.273 0.992 10 0 BCAERO C[C@H]1CN(Cc2cccc(C(N)=O)c2)C[C@@H]1[NH3+] ZINC000235664862 177265154 /nfs/dbraw/zinc/26/51/54/177265154.db2.gz KAVMUGVSTBRBAG-CABZTGNLSA-N 1 0 233.315 0.565 10 0 BCAERO C[C@@H](O)C[N@@H+]1CCN(Cc2ncc[nH]2)C[C@@H]1C ZINC000111227818 177270821 /nfs/dbraw/zinc/27/08/21/177270821.db2.gz BMIJCIMYAREFKQ-WDEREUQCSA-N 1 0 238.335 0.297 10 0 BCAERO C[C@H]1CN(S(=O)(=O)c2cccnc2)C[C@@H]1[NH3+] ZINC000235683169 177273848 /nfs/dbraw/zinc/27/38/48/177273848.db2.gz YYMSDLHMQYAMQE-WPRPVWTQSA-N 1 0 241.316 0.049 10 0 BCAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1S(C)(=O)=O ZINC000082699275 177279814 /nfs/dbraw/zinc/27/98/14/177279814.db2.gz TZERBJOBDTWTPV-DTWKUNHWSA-N 1 0 218.322 0.115 10 0 BCAERO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1Cc1ncnn1C ZINC000371867607 177279844 /nfs/dbraw/zinc/27/98/44/177279844.db2.gz GPHMIWYOYMNNMZ-NWDGAFQWSA-N 1 0 249.362 0.874 10 0 BCAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccnnc1 ZINC000131734521 177280241 /nfs/dbraw/zinc/28/02/41/177280241.db2.gz YEBUMYGRUOYNSO-CMPLNLGQSA-N 1 0 246.314 0.785 10 0 BCAERO C[C@H]1C[NH+]=C(NC[C@@H]2COCCO2)S1 ZINC000038062800 177281406 /nfs/dbraw/zinc/28/14/06/177281406.db2.gz CQJJHFKZUOLYNC-JGVFFNPUSA-N 1 0 216.306 0.483 10 0 BCAERO C[C@H]1C[NH+]=C(NCCN2CCOCC2)S1 ZINC000035295026 177281879 /nfs/dbraw/zinc/28/18/79/177281879.db2.gz YSGOUQJKUIFBJP-VIFPVBQESA-N 1 0 229.349 0.400 10 0 BCAERO C[C@H]1C[NH+]=C(NCCn2ccnc2)S1 ZINC000042542221 177282151 /nfs/dbraw/zinc/28/21/51/177282151.db2.gz BBVLYLHFNNPBKT-QMMMGPOBSA-N 1 0 210.306 0.964 10 0 BCAERO C[C@H]1C[NH2+]CCN([C@]2(C)CCS(=O)(=O)C2)C1 ZINC000044932711 177282464 /nfs/dbraw/zinc/28/24/64/177282464.db2.gz KLSNQZCNTRRQIT-WDEREUQCSA-N 1 0 246.376 0.105 10 0 BCAERO C[C@H]1CNCC[N@H+](C[C@@H]2CCCOC2)C1 ZINC000044982838 177282532 /nfs/dbraw/zinc/28/25/32/177282532.db2.gz YBXFGFCZWWEVFQ-RYUDHWBXSA-N 1 0 212.337 0.954 10 0 BCAERO C[C@H]1C[NH2+]CCN1CCCC(=O)N(C)C ZINC000054374708 177283740 /nfs/dbraw/zinc/28/37/40/177283740.db2.gz IASQQHVBUJPEKM-JTQLQIEISA-N 1 0 213.325 0.149 10 0 BCAERO C[C@H]1C[NH2+]CCN1CC(=O)c1ccccn1 ZINC000095069600 177283927 /nfs/dbraw/zinc/28/39/27/177283927.db2.gz ZFLVYTMBDJSRNP-JTQLQIEISA-N 1 0 219.288 0.558 10 0 BCAERO C[C@H]1C[NH2+]CCN1C(=O)c1ccc(=O)oc1 ZINC000054370055 177283982 /nfs/dbraw/zinc/28/39/82/177283982.db2.gz PRCSTJVFMLLEIS-QMMMGPOBSA-N 1 0 222.244 0.074 10 0 BCAERO C[C@H]1COCCN1C(=O)C[C@H]1CCC[NH2+]1 ZINC000042166121 177289478 /nfs/dbraw/zinc/28/94/78/177289478.db2.gz YNBGGPSAADORON-VHSXEESVSA-N 1 0 212.293 0.376 10 0 BCAERO C[C@H]1COCCN1[C@@H](C[NH3+])c1cnn(C)c1 ZINC000035774863 177293385 /nfs/dbraw/zinc/29/33/85/177293385.db2.gz UAWJQLBAZURKQS-ONGXEEELSA-N 1 0 224.308 0.141 10 0 BCAERO C[C@H]1C[C@@H](C(=O)N2CCOC[C@@H]2C)CC[C@@H]1[NH3+] ZINC000055127601 177307354 /nfs/dbraw/zinc/30/73/54/177307354.db2.gz FBHCYKHIMJCATB-BJDJZHNGSA-N 1 0 240.347 0.997 10 0 BCAERO C[C@H]1C[C@@H]([NH3+])CCN1C1CCS(=O)(=O)CC1 ZINC000049711455 177326467 /nfs/dbraw/zinc/32/64/67/177326467.db2.gz AWEIOIXWDJUYEE-UWVGGRQHSA-N 1 0 246.376 0.375 10 0 BCAERO C[C@H]1C[C@H](O)C[N@H+](Cc2cnn(C)c2)C1 ZINC000334747730 177372892 /nfs/dbraw/zinc/37/28/92/177372892.db2.gz VQXSJGFPIKBXAM-ONGXEEELSA-N 1 0 209.293 0.623 10 0 BCAERO C[C@H]1NC(=O)CC[C@@H]1[NH2+]Cc1nccn1C ZINC000336777174 177393664 /nfs/dbraw/zinc/39/36/64/177393664.db2.gz HPLOTCFMSPBVFP-BDAKNGLRSA-N 1 0 222.292 0.177 10 0 BCAERO C[C@H]1NC(=O)CC[C@H]1[NH2+]CCOCC1CC1 ZINC000336780755 177394169 /nfs/dbraw/zinc/39/41/69/177394169.db2.gz RZNARFBYVZXLFV-MWLCHTKSSA-N 1 0 226.320 0.670 10 0 BCAERO C[C@H]1NC(=O)CC[C@H]1[NH2+]C1CCN(C)CC1 ZINC000336776657 177394200 /nfs/dbraw/zinc/39/42/00/177394200.db2.gz GGADCLPXMYEGNS-MWLCHTKSSA-N 1 0 225.336 0.337 10 0 BCAERO C[C@H]1NC(=O)CC[C@H]1[NH2+]C[C@@H](O)c1ccccc1 ZINC000282229893 177394245 /nfs/dbraw/zinc/39/42/45/177394245.db2.gz FKYJUQMNQZNSGH-RAIGVLPGSA-N 1 0 248.326 0.977 10 0 BCAERO C[C@H]1NC(=O)CC[C@H]1[NH2+]CCn1cccn1 ZINC000282401775 177394413 /nfs/dbraw/zinc/39/44/13/177394413.db2.gz PRZXISGZPONYTF-NXEZZACHSA-N 1 0 222.292 0.140 10 0 BCAERO C[C@H]1[NH2+]CCC[C@@H]1C(=O)NCC1CCOCC1 ZINC000094648464 177394823 /nfs/dbraw/zinc/39/48/23/177394823.db2.gz MYEDCIGPMKJLKY-PWSUYJOCSA-N 1 0 240.347 0.917 10 0 BCAERO C[C@H]1[NH2+]CCC[C@@H]1Nc1ncnc2nc[nH]c21 ZINC000229607283 177395044 /nfs/dbraw/zinc/39/50/44/177395044.db2.gz TYWMEZVVDLORLL-SFYZADRCSA-N 1 0 232.291 0.905 10 0 BCAERO C[C@H]1[NH2+]CCC[C@H]1Nc1ncnc2c1cnn2C ZINC000229595827 177396776 /nfs/dbraw/zinc/39/67/76/177396776.db2.gz JRILAXKTHUKDRY-PSASIEDQSA-N 1 0 246.318 0.916 10 0 BCAERO C[C@H]1[NH2+]CCC[C@H]1NS(=O)(=O)CC1CCC1 ZINC000335587134 177396777 /nfs/dbraw/zinc/39/67/77/177396777.db2.gz VICWHNDMBHFMCF-MWLCHTKSSA-N 1 0 246.376 0.846 10 0 BCAERO C[C@H]1C[C@@H](O)C[N@H+](CCCn2ccnc2)C1 ZINC000401505810 226358621 /nfs/dbraw/zinc/35/86/21/226358621.db2.gz RXWMEIAYNAQIIU-NWDGAFQWSA-N 1 0 223.320 0.976 10 0 BCAERO C[C@@H]([NH3+])CNc1nnnn1-c1ccccc1 ZINC000082575182 487677493 /nfs/dbraw/zinc/67/74/93/487677493.db2.gz PCDDFOWWCURXPC-MRVPVSSYSA-N 1 0 218.264 0.421 10 0 BCAERO CCO[C@H]1CCCN(C(=O)[C@@H](C)[NH2+]C)C1 ZINC000054076670 487683429 /nfs/dbraw/zinc/68/34/29/487683429.db2.gz AVKGBQCYIVIPJW-ZJUUUORDSA-N 1 0 214.309 0.622 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N(C)[C@@H](C)C1CC1 ZINC000088002910 487697676 /nfs/dbraw/zinc/69/76/76/487697676.db2.gz OTPSJEAGBBFREI-IONNQARKSA-N 1 0 200.282 0.217 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N(C)CCC(C)C ZINC000088003295 487697839 /nfs/dbraw/zinc/69/78/39/487697839.db2.gz RJSVBCQRXNLWPK-SECBINFHSA-N 1 0 202.298 0.465 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@@H](O)C(C)(C)C ZINC000324298612 262788335 /nfs/dbraw/zinc/78/83/35/262788335.db2.gz CGWDKLWCTUGHRM-OPRDCNLKSA-N 1 0 228.336 0.365 10 0 BCAERO CC[C@@H](C)N(CC)C(=O)[C@H]([NH3+])COC ZINC000088002673 487698272 /nfs/dbraw/zinc/69/82/72/487698272.db2.gz LVYGBHPNYZUOPG-RKDXNWHRSA-N 1 0 202.298 0.607 10 0 BCAERO OC1(C[NH2+]C[C@H]2CCCO2)CCOCC1 ZINC000088034127 487698844 /nfs/dbraw/zinc/69/88/44/487698844.db2.gz IREJMMMZCMIJML-SNVBAGLBSA-N 1 0 215.293 0.297 10 0 BCAERO OC1(C[NH2+]C[C@@H]2CCCO2)CCOCC1 ZINC000088034129 487699019 /nfs/dbraw/zinc/69/90/19/487699019.db2.gz IREJMMMZCMIJML-JTQLQIEISA-N 1 0 215.293 0.297 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)N2CC[C@H](C[NH3+])C2)O1 ZINC000088142058 487705385 /nfs/dbraw/zinc/70/53/85/487705385.db2.gz NJCOPFWMEIFFHN-OPRDCNLKSA-N 1 0 212.293 0.361 10 0 BCAERO O[C@@H]1CCC[C@H]1[N@H+]1[C@@H]2CC[C@H]1CC(O)C2 ZINC000226286839 487706509 /nfs/dbraw/zinc/70/65/09/487706509.db2.gz RVYLHZGSVPUJGG-FXVHWTKVSA-N 1 0 211.305 0.888 10 0 BCAERO O=C(C[C@@H]1CCC[NH2+]C1)NCCn1ccnc1 ZINC000054291451 487709186 /nfs/dbraw/zinc/70/91/86/487709186.db2.gz OBYSMHSLFZRDIJ-NSHDSACASA-N 1 0 236.319 0.389 10 0 BCAERO CCC[C@H]1C[C@@H]1NC(=O)CN1CC[NH2+]CC1 ZINC000233378545 487713046 /nfs/dbraw/zinc/71/30/46/487713046.db2.gz YJVJHNZWHDOUPR-QWRGUYRKSA-N 1 0 225.336 0.196 10 0 BCAERO CC[C@H](C)[C@@H]([NH3+])C(=O)N[C@@H]1CCSC1 ZINC000226357889 487716595 /nfs/dbraw/zinc/71/65/95/487716595.db2.gz XMJXYEJWGSQMNJ-DJLDLDEBSA-N 1 0 216.350 0.982 10 0 BCAERO CN(Cc1cn[nH]c1)C(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000136208694 487718275 /nfs/dbraw/zinc/71/82/75/487718275.db2.gz BNRMDCKBLDKWFN-GFCCVEGCSA-N 1 0 236.319 0.900 10 0 BCAERO Cn1cc([C@H]2CCCN2C(=O)C[NH2+]C2CC2)cn1 ZINC000154651014 487722891 /nfs/dbraw/zinc/72/28/91/487722891.db2.gz NOUIHWZPKOPRRM-GFCCVEGCSA-N 1 0 248.330 0.836 10 0 BCAERO CCNC(=O)[C@H](C)NC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000250227698 487728246 /nfs/dbraw/zinc/72/82/46/487728246.db2.gz FSKDZUZKXQILLU-GUBZILKMSA-N 1 0 241.335 0.002 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)N(C)C[C@H]1CCOC1 ZINC000398913954 487736305 /nfs/dbraw/zinc/73/63/05/487736305.db2.gz IXXNKRPVFJMQDT-GHMZBOCLSA-N 1 0 228.336 0.855 10 0 BCAERO O=C([C@@H]1C[NH2+]CCOC1)N(CC(F)F)C1CC1 ZINC000643688444 487738328 /nfs/dbraw/zinc/73/83/28/487738328.db2.gz XAXLOKVYISIUTP-MRVPVSSYSA-N 1 0 248.273 0.479 10 0 BCAERO O=C([C@@H]1C[C@H]2C[C@H]2C1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000250666317 487738438 /nfs/dbraw/zinc/73/84/38/487738438.db2.gz RZMFXLZDMJUBAG-ZGIVBDMPSA-N 1 0 220.316 0.710 10 0 BCAERO NS(=O)(=O)CCC[N@@H+]1C[C@@H]2CCC[C@@H]21 ZINC000675498326 487742811 /nfs/dbraw/zinc/74/28/11/487742811.db2.gz POSPRURCEZJFLQ-IUCAKERBSA-N 1 0 218.322 0.149 10 0 BCAERO CCOc1cc(NC[C@H]2COCC[NH2+]2)ncn1 ZINC000233798413 487743393 /nfs/dbraw/zinc/74/33/93/487743393.db2.gz YYULGWOKULNRKZ-VIFPVBQESA-N 1 0 238.291 0.276 10 0 BCAERO COC[C@H](C)NC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000082920118 487752523 /nfs/dbraw/zinc/75/25/23/487752523.db2.gz LHUBAECKWFINMT-YIZRAAEISA-N 1 0 200.282 0.265 10 0 BCAERO C[C@@H]1C[N@@H+](CC2(O)CCC2)C[C@H](C)[C@H]1O ZINC000661622165 487756246 /nfs/dbraw/zinc/75/62/46/487756246.db2.gz RIBIYXMTBMFZAK-URLYPYJESA-N 1 0 213.321 0.850 10 0 BCAERO CC(C)([NH3+])CCC(=O)N[C@H]1CCCOC1 ZINC000069634287 487757152 /nfs/dbraw/zinc/75/71/52/487757152.db2.gz OKBFCFDOTVOSLM-VIFPVBQESA-N 1 0 214.309 0.799 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)Cc1ccncc1 ZINC000089091174 487761077 /nfs/dbraw/zinc/76/10/77/487761077.db2.gz WMGBKQHQXVIJPW-RYUDHWBXSA-N 1 0 233.315 0.868 10 0 BCAERO [NH3+]C1CCC(C(=O)NC[C@@H]2CCC[C@H]2O)CC1 ZINC000089169986 487765472 /nfs/dbraw/zinc/76/54/72/487765472.db2.gz DZQBDTRVUBIXOC-POSLAHMBSA-N 1 0 240.347 0.781 10 0 BCAERO CC(C)(O)C[NH2+]C[C@H]1CCCC[C@H]1O ZINC000082995160 487769116 /nfs/dbraw/zinc/76/91/16/487769116.db2.gz VGASMOHLMMBQLD-NXEZZACHSA-N 1 0 201.310 0.898 10 0 BCAERO C[C@H]([NH3+])CC(=O)NC[C@@H]1CCCC[C@@H]1O ZINC000082995343 487769327 /nfs/dbraw/zinc/76/93/27/487769327.db2.gz DLUBULFOEDCLEJ-GUBZILKMSA-N 1 0 214.309 0.391 10 0 BCAERO C[C@H](O)CCNC(=O)[C@@]1(C)CCC[NH2+]1 ZINC000082996383 487769518 /nfs/dbraw/zinc/76/95/18/487769518.db2.gz OPUMSCSDYXXUBG-WCBMZHEXSA-N 1 0 200.282 0.016 10 0 BCAERO CC(C)([NH3+])CC(=O)NC[C@H]1CCCC[C@@H]1O ZINC000082995065 487769010 /nfs/dbraw/zinc/76/90/10/487769010.db2.gz BXBGLKARDZAAMB-ZJUUUORDSA-N 1 0 228.336 0.781 10 0 BCAERO CC(C)OC[C@@H](O)C[NH2+]CC[C@H](C)O ZINC000082997185 487770362 /nfs/dbraw/zinc/77/03/62/487770362.db2.gz UFULUKRXZVOHEH-UWVGGRQHSA-N 1 0 205.298 0.133 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)N[C@H]1CCCC[C@@H]1O ZINC000227322002 487771382 /nfs/dbraw/zinc/77/13/82/487771382.db2.gz MGLPQFKYHUTRSZ-USZNOCQGSA-N 1 0 240.347 0.781 10 0 BCAERO CO[C@@H](C)CNC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000223753426 487792939 /nfs/dbraw/zinc/79/29/39/487792939.db2.gz CAUVATWHMSVIPD-DJLDLDEBSA-N 1 0 200.282 0.265 10 0 BCAERO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1[C@@H]2COC[C@@H]21 ZINC000385742735 487799473 /nfs/dbraw/zinc/79/94/73/487799473.db2.gz ZVTARSNHDAQENR-KGHHLHTHSA-N 1 0 236.315 0.278 10 0 BCAERO CN1CCO[C@@H](C[N@H+](C)C[C@H](O)C(C)(C)C)C1 ZINC000676112385 487815866 /nfs/dbraw/zinc/81/58/66/487815866.db2.gz CXQDKZPLRSJJIF-NEPJUHHUSA-N 1 0 244.379 0.656 10 0 BCAERO CCN1CCN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000089449811 487816806 /nfs/dbraw/zinc/81/68/06/487816806.db2.gz BESPJRYKIPFIBA-VXGBXAGGSA-N 1 0 239.363 0.526 10 0 BCAERO CC[C@@H]1CN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])CCO1 ZINC000089450798 487817895 /nfs/dbraw/zinc/81/78/95/487817895.db2.gz YEEFCKHMQYNUAM-IJLUTSLNSA-N 1 0 240.347 0.999 10 0 BCAERO CC(C)NC(=O)CNC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089450584 487817971 /nfs/dbraw/zinc/81/79/71/487817971.db2.gz GWMZBFSMUMXAAR-ZJUUUORDSA-N 1 0 241.335 0.002 10 0 BCAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)NCCn1cccn1 ZINC000089460436 487821489 /nfs/dbraw/zinc/82/14/89/487821489.db2.gz NNBVUIFYYXULBZ-GHMZBOCLSA-N 1 0 236.319 0.374 10 0 BCAERO Cn1nccc1CNC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089462379 487822412 /nfs/dbraw/zinc/82/24/12/487822412.db2.gz OHGXELPLOZTCGI-KOLCDFICSA-N 1 0 236.319 0.411 10 0 BCAERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)N[C@H]1CCOC1 ZINC000252491331 487824937 /nfs/dbraw/zinc/82/49/37/487824937.db2.gz OFNCYEFFHPXCIP-LPEHRKFASA-N 1 0 212.293 0.280 10 0 BCAERO CO[C@@H](C)C[NH2+]C[C@H](O)COCc1ccco1 ZINC000224177618 487824961 /nfs/dbraw/zinc/82/49/61/487824961.db2.gz MPNUZJXPTJKHOL-QWRGUYRKSA-N 1 0 243.303 0.782 10 0 BCAERO COCc1cccc(C[NH2+][C@@H]2CCNC2=O)c1 ZINC000676234635 487825975 /nfs/dbraw/zinc/82/59/75/487825975.db2.gz HESRKYHHORPMQQ-GFCCVEGCSA-N 1 0 234.299 0.811 10 0 BCAERO C[NH2+][C@H](C)CNS(=O)(=O)CCC(C)(C)C ZINC000234438739 487826970 /nfs/dbraw/zinc/82/69/70/487826970.db2.gz AWOXQVDJIHJFPQ-SECBINFHSA-N 1 0 236.381 0.950 10 0 BCAERO [NH3+][C@H](CS(=O)(=O)N1CCCC1)C1CC1 ZINC000757153788 586429258 /nfs/dbraw/zinc/42/92/58/586429258.db2.gz SHTFBOWAJPIQIA-SECBINFHSA-N 1 0 218.322 0.149 10 0 BCAERO C[C@]1(NC(=O)[C@H]2CCC[C@H]2C[NH3+])CCOC1 ZINC000252776645 487832410 /nfs/dbraw/zinc/83/24/10/487832410.db2.gz OKUAJEUDRCGIME-NHCYSSNCSA-N 1 0 226.320 0.657 10 0 BCAERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)Nc1ccccc1 ZINC000666596567 487838484 /nfs/dbraw/zinc/83/84/84/487838484.db2.gz ROIGSXWGMOQHTJ-GXSJLCMTSA-N 1 0 235.287 0.388 10 0 BCAERO COC[C@@H]([NH3+])C(=O)NC1CC(C)(C)C1 ZINC000395288334 487849242 /nfs/dbraw/zinc/84/92/42/487849242.db2.gz IIKDBKQDRCAOTF-MRVPVSSYSA-N 1 0 200.282 0.265 10 0 BCAERO O=C(C[C@@H]1CC[NH2+]C1)NC[C@@H]1CCCC[C@H]1O ZINC000089748769 487852434 /nfs/dbraw/zinc/85/24/34/487852434.db2.gz AQPCBMHMVINJOX-SDDRHHMPSA-N 1 0 240.347 0.653 10 0 BCAERO C[C@@H](C(=O)N[C@@H]1CCC[NH2+][C@H]1C)n1cncn1 ZINC000253195275 487857605 /nfs/dbraw/zinc/85/76/05/487857605.db2.gz PZWGEQLPTQIXBT-LPEHRKFASA-N 1 0 237.307 0.096 10 0 BCAERO C[C@H](C[S@@](C)=O)NC(=O)C[C@H]1CCC[NH2+]1 ZINC000252935102 322955087 /nfs/dbraw/zinc/95/50/87/322955087.db2.gz FDIIFXIOKLXFNL-KEMUVXCRSA-N 1 0 232.349 0.012 10 0 BCAERO [NH3+][C@@H]1CCC[C@@H]1C(=O)NC[C@@H]1CCCC[C@@H]1O ZINC000224888790 487866098 /nfs/dbraw/zinc/86/60/98/487866098.db2.gz QOMTWWCSHBRQKV-YFKTTZPYSA-N 1 0 240.347 0.781 10 0 BCAERO CC[C@@](C)(O)C[N@H+](C)C[C@H]1CN(C)CCO1 ZINC000681950823 487869848 /nfs/dbraw/zinc/86/98/48/487869848.db2.gz CLONNWZOMBDWBH-VXGBXAGGSA-N 1 0 230.352 0.410 10 0 BCAERO CC(C)[C@@H](CO)NC(=O)C1CCC([NH3+])CC1 ZINC000086125512 487877072 /nfs/dbraw/zinc/87/70/72/487877072.db2.gz INCWADQNXRXRQZ-VQXHTEKXSA-N 1 0 228.336 0.637 10 0 BCAERO COC[C@H](C)[NH2+]CC[C@@H]1CCNC1=O ZINC000395889130 487880262 /nfs/dbraw/zinc/88/02/62/487880262.db2.gz KJHQXUVXSOJHFL-DTWKUNHWSA-N 1 0 200.282 0.137 10 0 BCAERO CCO[C@@H](CC)C(=O)NC[C@@H]1CC[NH2+]C1 ZINC000309491085 487887758 /nfs/dbraw/zinc/88/77/58/487887758.db2.gz IPUXAMBZKSXZCI-ZJUUUORDSA-N 1 0 214.309 0.527 10 0 BCAERO C[C@H]1CN(C(=O)CCCCO)C[C@@H]1[NH+](C)C ZINC000125309579 487890428 /nfs/dbraw/zinc/89/04/28/487890428.db2.gz PUTBXYJNBICVFY-QWRGUYRKSA-N 1 0 228.336 0.558 10 0 BCAERO COCCOC[C@H](O)C[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000234910936 487891756 /nfs/dbraw/zinc/89/17/56/487891756.db2.gz HZYKCCWJAKPEJE-UTUOFQBUSA-N 1 0 247.335 0.167 10 0 BCAERO CCc1nnc(C)cc1C(=O)NC[C@H]1CC[NH2+]C1 ZINC000229204145 487892074 /nfs/dbraw/zinc/89/20/74/487892074.db2.gz WOKJUHREFDGZSE-JTQLQIEISA-N 1 0 248.330 0.687 10 0 BCAERO CCn1nc(C)cc1C(=O)N1CCC[C@@H]1C[NH3+] ZINC000090124840 487907033 /nfs/dbraw/zinc/90/70/33/487907033.db2.gz SNTSREQGKHMMPB-SNVBAGLBSA-N 1 0 236.319 0.775 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N1CCC[C@H](OC(C)C)C1 ZINC000404600387 487928208 /nfs/dbraw/zinc/92/82/08/487928208.db2.gz LNVMNPCHBXIDLL-WDEREUQCSA-N 1 0 244.335 0.376 10 0 BCAERO C[C@H]([NH3+])[C@H](C)C(=O)N[C@@H]1CCC[C@H](O)C1 ZINC000165175160 487929207 /nfs/dbraw/zinc/92/92/07/487929207.db2.gz DMYXCGIWHWRAPA-QEYWKRMJSA-N 1 0 214.309 0.389 10 0 BCAERO CC(C)(C)OC(=O)N1CC=C(C[NH2+]CCO)C1 ZINC000665887169 487956113 /nfs/dbraw/zinc/95/61/13/487956113.db2.gz VCBRZZNUMKYAFJ-UHFFFAOYSA-N 1 0 242.319 0.745 10 0 BCAERO C[NH2+][C@H](C)C(=O)N[C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000565211707 323033672 /nfs/dbraw/zinc/03/36/72/323033672.db2.gz CXSLKNFSVKUAPX-GWOFURMSSA-N 1 0 238.331 0.668 10 0 BCAERO C[C@H](O)C[C@@H]1CCC[N@@H+]1C[C@@H]1CNC(=O)O1 ZINC000160020250 323057667 /nfs/dbraw/zinc/05/76/67/323057667.db2.gz UYQUGRVVHAINMM-GUBZILKMSA-N 1 0 228.292 0.330 10 0 BCAERO CC(C)(C)[C@H](O)C[NH2+]CC1(CO)CCOCC1 ZINC000570515805 323061459 /nfs/dbraw/zinc/06/14/59/323061459.db2.gz VAHHKXQEGDGPHF-LLVKDONJSA-N 1 0 245.363 0.772 10 0 BCAERO CC(C)SCC(=O)N1C[C@H]([NH3+])[C@@H](C)C1 ZINC000570831852 323071998 /nfs/dbraw/zinc/07/19/98/323071998.db2.gz FMXCQCHTAIEKKC-IUCAKERBSA-N 1 0 216.350 0.934 10 0 BCAERO O=C(c1cscn1)N1C[C@H]2CCC[NH2+][C@@H]2C1 ZINC000221654801 323090750 /nfs/dbraw/zinc/09/07/50/323090750.db2.gz LLXRZZYLZILYPP-RKDXNWHRSA-N 1 0 237.328 0.967 10 0 BCAERO Cn1cccc1C(=O)N1CC[C@H]2OCC[NH2+][C@H]2C1 ZINC000403993572 323094061 /nfs/dbraw/zinc/09/40/61/323094061.db2.gz KCTKHHFRYBEQRU-CMPLNLGQSA-N 1 0 249.314 0.228 10 0 BCAERO Cn1cccc1C(=O)N1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC000403993575 323094104 /nfs/dbraw/zinc/09/41/04/323094104.db2.gz KCTKHHFRYBEQRU-JQWIXIFHSA-N 1 0 249.314 0.228 10 0 BCAERO CC(C)n1nnnc1CN1CCC(C[NH3+])CC1 ZINC000571166131 323137267 /nfs/dbraw/zinc/13/72/67/323137267.db2.gz VLHYERLHUUGDMO-UHFFFAOYSA-N 1 0 238.339 0.425 10 0 BCAERO C[C@H]1C[C@@H]([NH2+]CC2CC(O)C2)CN1C1CC1 ZINC000229935156 323158213 /nfs/dbraw/zinc/15/82/13/323158213.db2.gz RZDIIZNMEDFFCB-MSLYCWSTSA-N 1 0 224.348 0.972 10 0 BCAERO C[N@H+](C[C@@H](O)COC(C)(C)C)CC(C)(C)O ZINC000075746109 323170946 /nfs/dbraw/zinc/17/09/46/323170946.db2.gz ZLAVMBDRUHINGY-SNVBAGLBSA-N 1 0 233.352 0.865 10 0 BCAERO Cn1nccc1[C@@H](O)[C@H]1CCC[N@H+](C)C1 ZINC000521402192 323201286 /nfs/dbraw/zinc/20/12/86/323201286.db2.gz WYFDRRPMUUFIRH-ONGXEEELSA-N 1 0 209.293 0.795 10 0 BCAERO CC(C)CO[C@H](C)C(=O)NCC[C@@H](C)[NH3+] ZINC000309402486 323380639 /nfs/dbraw/zinc/38/06/39/323380639.db2.gz HNIQKNRCFRWRHB-NXEZZACHSA-N 1 0 216.325 0.901 10 0 BCAERO CC(C)(C)OC(=O)NCCCOCC[NH3+] ZINC000115021816 323943305 /nfs/dbraw/zinc/94/33/05/323943305.db2.gz LPHXDOGUEPNTJE-UHFFFAOYSA-N 1 0 218.297 0.877 10 0 BCAERO CC(C)(C)OC(=O)N(CCO)[C@@H]1CCC[NH2+]C1 ZINC000536948677 323950466 /nfs/dbraw/zinc/95/04/66/323950466.db2.gz NLBBFJQLZMXRSC-SNVBAGLBSA-N 1 0 244.335 0.968 10 0 BCAERO CC(C)(C)OC(=O)[C@@H]1COCC[C@H]1[NH3+] ZINC000536954812 323963525 /nfs/dbraw/zinc/96/35/25/323963525.db2.gz QISXINKYFFEIDU-HTQZYQBOSA-N 1 0 201.266 0.692 10 0 BCAERO CC[C@@](C)(O)C[NH+]1CCN(CCOC)CC1 ZINC000123257285 324103705 /nfs/dbraw/zinc/10/37/05/324103705.db2.gz FDLMXQNKWKTZLH-GFCCVEGCSA-N 1 0 230.352 0.411 10 0 BCAERO CCC[C@@H](C)C[NH+]1C[C@@H](CO)[C@H](CO)C1 ZINC000529640408 324369596 /nfs/dbraw/zinc/36/95/96/324369596.db2.gz UBZOWMMWZMXMQS-WOPDTQHZSA-N 1 0 215.337 0.955 10 0 BCAERO COCC(C)(C)NC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000125392841 324640221 /nfs/dbraw/zinc/64/02/21/324640221.db2.gz XKSAALYPMYDBDZ-JTQLQIEISA-N 1 0 228.336 0.917 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)N2C[C@H](C[NH3+])C[C@@H]2C)O1 ZINC000126813925 324720976 /nfs/dbraw/zinc/72/09/76/324720976.db2.gz YFNJQEYYLHIMLT-ZRUFSTJUSA-N 1 0 226.320 0.750 10 0 BCAERO COc1c(C[NH2+][C@@H]2CCOC2)c(C)nn1C ZINC000128730899 324877877 /nfs/dbraw/zinc/87/78/77/324877877.db2.gz SKGWIMKIYBMWMJ-SECBINFHSA-N 1 0 225.292 0.616 10 0 BCAERO CCS(=O)(=O)CCC[NH2+][C@@H]1CCCC[C@H]1O ZINC000083441665 325568814 /nfs/dbraw/zinc/56/88/14/325568814.db2.gz IDFKUBQHKAGUAD-GHMZBOCLSA-N 1 0 249.376 0.704 10 0 BCAERO CC1(CCNC(=O)[C@H]2C[C@@H](O)C[NH2+]2)CC1 ZINC000564992470 325842452 /nfs/dbraw/zinc/84/24/52/325842452.db2.gz MFACYXYBYFOICG-RKDXNWHRSA-N 1 0 212.293 0.016 10 0 BCAERO c1cncc(CN2CC[C@@H]3OCC[NH2+][C@@H]3C2)c1 ZINC000404077824 325908257 /nfs/dbraw/zinc/90/82/57/325908257.db2.gz GGTLWTQOQPKRQW-OLZOCXBDSA-N 1 0 233.315 0.644 10 0 BCAERO CCC[C@H](C(=O)NCC1(C)COC1)[NH+](C)C ZINC000157284599 326265896 /nfs/dbraw/zinc/26/58/96/326265896.db2.gz XZGMRBJMEYNPLV-SNVBAGLBSA-N 1 0 228.336 0.869 10 0 BCAERO CC(C)n1nnnc1CN1CC[C@H]([NH3+])C[C@H]1C ZINC000568162845 326316442 /nfs/dbraw/zinc/31/64/42/326316442.db2.gz IHRVKIPXYDQLQC-ZJUUUORDSA-N 1 0 238.339 0.566 10 0 BCAERO CC(C)n1nnnc1CN1CC[C@@H]([NH3+])C[C@@H]1C ZINC000568162844 326316696 /nfs/dbraw/zinc/31/66/96/326316696.db2.gz IHRVKIPXYDQLQC-VHSXEESVSA-N 1 0 238.339 0.566 10 0 BCAERO Cc1ncc(C[NH2+][C@@H]2CCO[C@@H]2C)n1C ZINC000568273632 326339323 /nfs/dbraw/zinc/33/93/23/326339323.db2.gz VJIMIAPVLSQSER-LDYMZIIASA-N 1 0 209.293 0.996 10 0 BCAERO C[C@H](C[C@H](C)[NH3+])Nc1ccnc(C(N)=O)c1 ZINC000165747183 326426139 /nfs/dbraw/zinc/42/61/39/326426139.db2.gz BJWMXTARWCTROB-JGVFFNPUSA-N 1 0 222.292 0.718 10 0 BCAERO CC1(C(=O)N2CC[C@@H]3OCC[NH2+][C@@H]3C2)CCC1 ZINC000573093959 326429211 /nfs/dbraw/zinc/42/92/11/326429211.db2.gz WACQXEDEXBHJKC-MNOVXSKESA-N 1 0 238.331 0.766 10 0 BCAERO C[C@@H]1OCC[C@@H]1NC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000134260173 487975708 /nfs/dbraw/zinc/97/57/08/487975708.db2.gz ZEWCCFSGNQFTSJ-JXUBOQSCSA-N 1 0 212.293 0.407 10 0 BCAERO Cn1ncnc1C[NH2+][C@H]1CCCC[C@H]1O ZINC000083970988 487976488 /nfs/dbraw/zinc/97/64/88/487976488.db2.gz VUQCYGUACBNRBK-DTWKUNHWSA-N 1 0 210.281 0.208 10 0 BCAERO C[C@@H]1OCC[C@H]1NC(=O)CC[NH2+]C1CC1 ZINC000134549431 487989804 /nfs/dbraw/zinc/98/98/04/487989804.db2.gz VJUQAAIRSNSQMX-WCBMZHEXSA-N 1 0 212.293 0.422 10 0 BCAERO C[C@H]1OCC[C@@H]1NC(=O)C1CCC([NH3+])CC1 ZINC000134556152 487990274 /nfs/dbraw/zinc/99/02/74/487990274.db2.gz WDWDVWODMKZFLM-SFXRXQKFSA-N 1 0 226.320 0.798 10 0 BCAERO C[C@H]1OCC[C@H]1NC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000134556815 487989862 /nfs/dbraw/zinc/98/98/62/487989862.db2.gz SKJIWSQTYLYIHD-ZYUZMQFOSA-N 1 0 212.293 0.136 10 0 BCAERO COc1c(N)ncnc1N[C@@H]1CCO[C@@H]1C ZINC000134607515 487990580 /nfs/dbraw/zinc/99/05/80/487990580.db2.gz STGUWWNTUSRIKX-RNFRBKRXSA-N 1 0 224.264 0.657 10 0 BCAERO O=C(Nc1cccc(O)c1)[C@H]1C[NH2+]CCOC1 ZINC000643768244 487994225 /nfs/dbraw/zinc/99/42/25/487994225.db2.gz ZHNXBXBDYRIHCX-VIFPVBQESA-N 1 0 236.271 0.567 10 0 BCAERO OC[C@H]1COCC[N@@H+]1CC1CCOCC1 ZINC000159266236 488017850 /nfs/dbraw/zinc/01/78/50/488017850.db2.gz NMFWDJUDWQUURN-NSHDSACASA-N 1 0 215.293 0.106 10 0 BCAERO C[C@H]1CC[NH2+]C[C@H]1Nc1ccc(C#N)nn1 ZINC000396940357 488022451 /nfs/dbraw/zinc/02/24/51/488022451.db2.gz TUYONYIYKPHZCJ-WCBMZHEXSA-N 1 0 217.276 0.758 10 0 BCAERO Cc1cc(NC[C@H]2COCC[NH2+]2)ncn1 ZINC000235827433 488023478 /nfs/dbraw/zinc/02/34/78/488023478.db2.gz CVIOPHISELAVLY-VIFPVBQESA-N 1 0 208.265 0.185 10 0 BCAERO COC[C@H](C)C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000237231390 488027314 /nfs/dbraw/zinc/02/73/14/488027314.db2.gz DEMVKYNNKPKHPK-IUCAKERBSA-N 1 0 200.282 0.089 10 0 BCAERO CCc1nn(C)cc1C(=O)NC[C@H]1CC[NH2+]C1 ZINC000227556213 488027970 /nfs/dbraw/zinc/02/79/70/488027970.db2.gz UCKLYHNNCMOWRT-VIFPVBQESA-N 1 0 236.319 0.322 10 0 BCAERO Cc1noc2ncnc(NC[C@@H]3COCC[NH2+]3)c12 ZINC000235970209 488034712 /nfs/dbraw/zinc/03/47/12/488034712.db2.gz WDNQLWKABGPKLR-MRVPVSSYSA-N 1 0 249.274 0.327 10 0 BCAERO CC[NH2+]CCCNc1nccn(CC)c1=O ZINC000061767555 488037129 /nfs/dbraw/zinc/03/71/29/488037129.db2.gz GPCDYRZJZBLMSD-UHFFFAOYSA-N 1 0 224.308 0.675 10 0 BCAERO CC(C)([NH3+])CC(=O)NC[C@H]1CCC[C@H]1O ZINC000084238793 488039584 /nfs/dbraw/zinc/03/95/84/488039584.db2.gz BAJTVTYFANLLBG-RKDXNWHRSA-N 1 0 214.309 0.391 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@@H]1CCC[C@@H]1O ZINC000084238309 488039768 /nfs/dbraw/zinc/03/97/68/488039768.db2.gz HFQNBJGBSHMTES-YTWAJWBKSA-N 1 0 226.320 0.119 10 0 BCAERO [NH3+]C[C@H]1CCC[C@@H]1C(=O)Nc1nncs1 ZINC000084309056 488043265 /nfs/dbraw/zinc/04/32/65/488043265.db2.gz BRTCIVPNWNESBX-RQJHMYQMSA-N 1 0 226.305 0.852 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)NC1CCOCC1 ZINC000084309685 488043764 /nfs/dbraw/zinc/04/37/64/488043764.db2.gz IDHOKVWNFVSULP-ONGXEEELSA-N 1 0 226.320 0.657 10 0 BCAERO Cn1ccc(NC(=O)[C@H]2CCC[C@@H]2C[NH3+])n1 ZINC000084309729 488043936 /nfs/dbraw/zinc/04/39/36/488043936.db2.gz CQKJNHRPIUCFJV-BDAKNGLRSA-N 1 0 222.292 0.734 10 0 BCAERO CCOCCNC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000084309676 488044257 /nfs/dbraw/zinc/04/42/57/488044257.db2.gz APYILIZEHUPPFV-UWVGGRQHSA-N 1 0 214.309 0.514 10 0 BCAERO Cn1nccc1NC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000084310451 488045059 /nfs/dbraw/zinc/04/50/59/488045059.db2.gz FAIUQNJEDYYHDY-BDAKNGLRSA-N 1 0 222.292 0.734 10 0 BCAERO [NH3+]C[C@H]1CCC[C@@H]1C(=O)NCc1c[nH]cn1 ZINC000084311423 488045066 /nfs/dbraw/zinc/04/50/66/488045066.db2.gz PDCGEKPGLACRCZ-SCZZXKLOSA-N 1 0 222.292 0.401 10 0 BCAERO CC(C)[C@@H](C)NC(=O)c1cn(CC[NH3+])nn1 ZINC000084378762 488048181 /nfs/dbraw/zinc/04/81/81/488048181.db2.gz KKVRFGJSRKXTEX-MRVPVSSYSA-N 1 0 225.296 0.011 10 0 BCAERO CC(C)[C@H](C)NC(=O)c1cn(CC[NH3+])nn1 ZINC000084378763 488048370 /nfs/dbraw/zinc/04/83/70/488048370.db2.gz KKVRFGJSRKXTEX-QMMMGPOBSA-N 1 0 225.296 0.011 10 0 BCAERO O=C(C[C@H]1CC[NH2+]C1)N[C@@H]1CCCOC1 ZINC000084383514 488049048 /nfs/dbraw/zinc/04/90/48/488049048.db2.gz KXROHGNFEYVFKP-NXEZZACHSA-N 1 0 212.293 0.281 10 0 BCAERO O=C(C[C@H]1CC[NH2+]C1)N[C@H]1CCCOC1 ZINC000084383509 488049095 /nfs/dbraw/zinc/04/90/95/488049095.db2.gz KXROHGNFEYVFKP-ZJUUUORDSA-N 1 0 212.293 0.281 10 0 BCAERO [NH3+][C@H]1CCC[C@H](C(=O)NCCCCO)C1 ZINC000236328629 488056993 /nfs/dbraw/zinc/05/69/93/488056993.db2.gz UXLACTFOVVTZMK-UWVGGRQHSA-N 1 0 214.309 0.393 10 0 BCAERO CCCC(=O)OCOC(=O)CCC[NH3+] ZINC000220858604 488059080 /nfs/dbraw/zinc/05/90/80/488059080.db2.gz OMXMAEDBPMVPIE-UHFFFAOYSA-N 1 0 203.238 0.569 10 0 BCAERO CO[C@]1(CO)CCC[N@H+](C[C@@H]2CCCN2C)C1 ZINC000401849040 488070185 /nfs/dbraw/zinc/07/01/85/488070185.db2.gz CAXRTFACPBOPPO-QWHCGFSZSA-N 1 0 242.363 0.554 10 0 BCAERO COC[C@H]([NH3+])C(=O)N[C@@H]1CCc2ccccc21 ZINC000159636626 488073243 /nfs/dbraw/zinc/07/32/43/488073243.db2.gz YKSUJZZDPQLXHG-NWDGAFQWSA-N 1 0 234.299 0.764 10 0 BCAERO C[C@H](CNC(=O)C1([NH3+])CCOCC1)C1CC1 ZINC000159666439 488073585 /nfs/dbraw/zinc/07/35/85/488073585.db2.gz PVROHQXASPZPSG-SECBINFHSA-N 1 0 226.320 0.657 10 0 BCAERO C[NH2+][C@H](C)C(=O)N1CCC[C@H](OC)C1 ZINC000230246360 488078152 /nfs/dbraw/zinc/07/81/52/488078152.db2.gz QDHMZNPHOWRRAM-BDAKNGLRSA-N 1 0 200.282 0.232 10 0 BCAERO O=C(CCCCO)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000092172263 488083464 /nfs/dbraw/zinc/08/34/64/488083464.db2.gz CZEYKSONQBIHEG-NSHDSACASA-N 1 0 226.320 0.456 10 0 BCAERO CC[N@@H+]1CC[C@H](Nc2ccc(C)nn2)C1 ZINC000389267361 488085895 /nfs/dbraw/zinc/08/58/95/488085895.db2.gz JSVRZWFCXQMJTJ-JTQLQIEISA-N 1 0 206.293 0.713 10 0 BCAERO CCC1(NC(=O)[C@H]([NH3+])COC)CCOCC1 ZINC000389360975 488092889 /nfs/dbraw/zinc/09/28/89/488092889.db2.gz XJMWGZJLCAXROR-SECBINFHSA-N 1 0 230.308 0.036 10 0 BCAERO CC(C)[NH2+]CCC(=O)NCC[C@@H](C)O ZINC000084869885 488107958 /nfs/dbraw/zinc/10/79/58/488107958.db2.gz MHKSKMJLXIFKQM-SECBINFHSA-N 1 0 202.298 0.262 10 0 BCAERO Nc1ccc(CN2CC[N@@H+]3CCC[C@@H]3C2)cn1 ZINC000094465276 487536434 /nfs/dbraw/zinc/53/64/34/487536434.db2.gz QBNKJVGTABFRDK-GFCCVEGCSA-N 1 0 232.331 0.944 10 0 BCAERO CN(CC(F)F)C(=O)[C@@]1(C)CCC[NH2+]1 ZINC000120056099 487538247 /nfs/dbraw/zinc/53/82/47/487538247.db2.gz KOXUNTHGYFZUFU-SECBINFHSA-N 1 0 206.236 0.852 10 0 BCAERO C[NH2+][C@H](C)C(=O)N[C@H](COC)C1CC1 ZINC000397335050 488112110 /nfs/dbraw/zinc/11/21/10/488112110.db2.gz XZEVCEQLVUYENY-VXNVDRBHSA-N 1 0 200.282 0.136 10 0 BCAERO CC[C@@H]1C[C@@H]([NH2+]C[C@@H]2CN(C)CCO2)CO1 ZINC000657348593 488115917 /nfs/dbraw/zinc/11/59/17/488115917.db2.gz AMONRLHMBKCBOD-IJLUTSLNSA-N 1 0 228.336 0.474 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)O1 ZINC000382426160 487543258 /nfs/dbraw/zinc/54/32/58/487543258.db2.gz MSCWKSPTLFDPDU-LMLFDSFASA-N 1 0 226.320 0.940 10 0 BCAERO COc1cccc(CN2CCOC[C@@H]2CO)c1 ZINC000168847678 487546041 /nfs/dbraw/zinc/54/60/41/487546041.db2.gz JBWFKVKRAHZACQ-LBPRGKRZSA-N 1 0 237.299 0.888 10 0 BCAERO CC[C@@](C)(O)C[NH+]1CCC(NC(C)=O)CC1 ZINC000119429544 487546929 /nfs/dbraw/zinc/54/69/29/487546929.db2.gz ZQHKBKVPENQAMS-GFCCVEGCSA-N 1 0 228.336 0.748 10 0 BCAERO [NH3+]C[C@@H]1CCCN1C(=O)c1ncccc1O ZINC000168855187 487547107 /nfs/dbraw/zinc/54/71/07/487547107.db2.gz URQBHQDJFCWJME-QMMMGPOBSA-N 1 0 221.260 0.351 10 0 BCAERO C[C@H]([NH2+][C@H]1CCCNC(=O)C1)[C@@H]1CCCO1 ZINC000225279288 487533243 /nfs/dbraw/zinc/53/32/43/487533243.db2.gz ZENLGPIUXQCRNS-DCAQKATOSA-N 1 0 226.320 0.812 10 0 BCAERO Cc1cc(C)nc(NC[C@H]2COCC[NH2+]2)n1 ZINC000235836714 488139980 /nfs/dbraw/zinc/13/99/80/488139980.db2.gz XUVFZLNYHLUTRK-JTQLQIEISA-N 1 0 222.292 0.494 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N[C@@H](C(C)C)C1CC1 ZINC000323957169 487470771 /nfs/dbraw/zinc/47/07/71/487470771.db2.gz FNJCPPRBULZUGA-ZJUUUORDSA-N 1 0 214.309 0.511 10 0 BCAERO C[C@H](O)CC[NH2+]C[C@H](O)COCc1ccco1 ZINC000085989272 487471039 /nfs/dbraw/zinc/47/10/39/487471039.db2.gz WXNTTXSFYAJCAQ-QWRGUYRKSA-N 1 0 243.303 0.518 10 0 BCAERO Cc1cnc([C@@H](C)NC(=O)C[C@@H](C)[NH3+])o1 ZINC000231744112 487473641 /nfs/dbraw/zinc/47/36/41/487473641.db2.gz XRSQNRCEQQDLSX-HTRCEHHLSA-N 1 0 211.265 0.898 10 0 BCAERO Cc1cnc([C@@H](C)NC(=O)[C@H]2CC[NH2+]C2)o1 ZINC000231744128 487473847 /nfs/dbraw/zinc/47/38/47/487473847.db2.gz IUXDYRBCDFRNES-BDAKNGLRSA-N 1 0 223.276 0.770 10 0 BCAERO CC(C)[C@@H](CO)NC(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000086125521 487484861 /nfs/dbraw/zinc/48/48/61/487484861.db2.gz VMYVZUXVSMOKOY-GARJFASQSA-N 1 0 228.336 0.637 10 0 BCAERO CC(C)[C@@H](CO)NC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000086124944 487484928 /nfs/dbraw/zinc/48/49/28/487484928.db2.gz YJXLUYGFNCDPJM-OUAUKWLOSA-N 1 0 228.336 0.495 10 0 BCAERO C[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@@H]1CCCOC1 ZINC000086271985 487494133 /nfs/dbraw/zinc/49/41/33/487494133.db2.gz YFBUFTPXTCXSTA-IVZWLZJFSA-N 1 0 212.293 0.280 10 0 BCAERO CN(CC(C)(C)C[NH3+])c1ncnc2nc[nH]c21 ZINC000093874732 487498003 /nfs/dbraw/zinc/49/80/03/487498003.db2.gz ZKVGPJUGQNQKDV-UHFFFAOYSA-N 1 0 234.307 0.774 10 0 BCAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NC(C)(C)CC(N)=O ZINC000227069120 487502485 /nfs/dbraw/zinc/50/24/85/487502485.db2.gz ZGDRWEIIXQJNEZ-IUCAKERBSA-N 1 0 241.335 0.145 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)N[C@]2(C)CC[NH2+]C2)O1 ZINC000300240677 487505849 /nfs/dbraw/zinc/50/58/49/487505849.db2.gz FOWMUYMVOHRQON-FXPVBKGRSA-N 1 0 212.293 0.422 10 0 BCAERO C[C@H](N[C@H]1CC[NH2+]C1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000094085871 487512266 /nfs/dbraw/zinc/51/22/66/487512266.db2.gz KVYHZGXDHGFTEJ-WPRPVWTQSA-N 1 0 246.314 0.869 10 0 BCAERO CC(C)(C[NH2+][C@@H]1CCCC[C@H]1O)S(C)(=O)=O ZINC000086503047 487514704 /nfs/dbraw/zinc/51/47/04/487514704.db2.gz NSXVJSLZYMCEBU-NXEZZACHSA-N 1 0 249.376 0.703 10 0 BCAERO [NH3+]CCOCC(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000093231537 488145769 /nfs/dbraw/zinc/14/57/69/488145769.db2.gz SWIKDZHPHDQARB-GHMZBOCLSA-N 1 0 242.319 0.132 10 0 BCAERO C[NH2+][C@H](C)C(=O)N1CCC[C@@H]1c1cnn(C)c1 ZINC000379822212 488153765 /nfs/dbraw/zinc/15/37/65/488153765.db2.gz TUECEIVULIFJTG-MWLCHTKSSA-N 1 0 236.319 0.692 10 0 BCAERO CCn1cc(CNC(=O)C[C@H]([NH3+])C(C)C)nn1 ZINC000404472859 488165778 /nfs/dbraw/zinc/16/57/78/488165778.db2.gz ZSFDJFDDOUCVNS-JTQLQIEISA-N 1 0 239.323 0.288 10 0 BCAERO CO[C@H]1C[NH2+][C@@H](C(=O)N[C@H](C)c2ccccn2)C1 ZINC000160872190 487599371 /nfs/dbraw/zinc/59/93/71/487599371.db2.gz BCMGVJWREWVOLK-CKYFFXLPSA-N 1 0 249.314 0.636 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000225492438 487605150 /nfs/dbraw/zinc/60/51/50/487605150.db2.gz BLQYFUPVBSZQRZ-KYXWUPHJSA-N 1 0 212.293 0.550 10 0 BCAERO CC(C)(C)[C@H](O)CNC(=O)c1ccc(C[NH3+])o1 ZINC000324631416 487635609 /nfs/dbraw/zinc/63/56/09/487635609.db2.gz TWESWLAYWLIREU-SNVBAGLBSA-N 1 0 240.303 0.875 10 0 BCAERO CC(C)COC[C@H](O)C[NH2+]CC[C@@H](C)O ZINC000082995601 487696790 /nfs/dbraw/zinc/69/67/90/487696790.db2.gz HPVZKQBZHDAIGV-GHMZBOCLSA-N 1 0 219.325 0.380 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)NC[C@H](C)C[C@H](C)O ZINC000398634620 487723284 /nfs/dbraw/zinc/72/32/84/487723284.db2.gz OVVLBQNJMVHOBY-OUAUKWLOSA-N 1 0 230.352 0.883 10 0 BCAERO COC[C@H](C)NC(=O)C1(COC)CC[NH2+]CC1 ZINC000300485228 487784919 /nfs/dbraw/zinc/78/49/19/487784919.db2.gz YGVVQIXKGYEIIY-JTQLQIEISA-N 1 0 244.335 0.154 10 0 BCAERO Cc1nc(CNC(=O)[C@@H]2CCC[C@H]2C[NH3+])no1 ZINC000227428765 487898911 /nfs/dbraw/zinc/89/89/11/487898911.db2.gz JAXCDADIDCLKJH-DTWKUNHWSA-N 1 0 238.291 0.369 10 0 BCAERO OC1(C[NH2+][C@@H]2CO[C@H](C3CC3)C2)CCOCC1 ZINC000667847309 488137258 /nfs/dbraw/zinc/13/72/58/488137258.db2.gz KLWZLELNLHUBJA-RYUDHWBXSA-N 1 0 241.331 0.685 10 0 BCAERO CCCCNC(=O)N1CC[C@H]2OCC[NH2+][C@@H]2C1 ZINC000404190759 488149013 /nfs/dbraw/zinc/14/90/13/488149013.db2.gz HLTVBFZGOKAKAN-GHMZBOCLSA-N 1 0 241.335 0.559 10 0 BCAERO CCn1cc(CN[C@@H](C)[C@H]2CC[NH2+]C2)nn1 ZINC000404459233 488161823 /nfs/dbraw/zinc/16/18/23/488161823.db2.gz PQQXIUKCLHURGV-UWVGGRQHSA-N 1 0 223.324 0.386 10 0 BCAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)NC[C@@H](C)OC ZINC000223704463 488173692 /nfs/dbraw/zinc/17/36/92/488173692.db2.gz UDHKUONZQFGYHK-IWSPIJDZSA-N 1 0 202.298 0.511 10 0 BCAERO CO[C@@H](C)CNC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000223753540 488179146 /nfs/dbraw/zinc/17/91/46/488179146.db2.gz CAUVATWHMSVIPD-XHNCKOQMSA-N 1 0 200.282 0.265 10 0 BCAERO C[C@H](NC(=O)CC[NH2+]C1CC1)[C@@H]1CCCO1 ZINC000037478325 488185023 /nfs/dbraw/zinc/18/50/23/488185023.db2.gz AIQACUFTOSGCDW-ONGXEEELSA-N 1 0 226.320 0.812 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)N[C@H]1CCSC1 ZINC000299962869 488195298 /nfs/dbraw/zinc/19/52/98/488195298.db2.gz PXORRLBLKYEFEZ-LPEHRKFASA-N 1 0 228.361 0.983 10 0 BCAERO CC(C)[C@@H]([NH3+])CC(=O)N[C@H]1CCSC1 ZINC000231353287 488200982 /nfs/dbraw/zinc/20/09/82/488200982.db2.gz LBUJBWMSYLPKFD-IUCAKERBSA-N 1 0 216.350 0.982 10 0 BCAERO C[NH2+][C@@H](C)C(=O)N[C@H](C)[C@H]1CCCO1 ZINC000308460869 488204413 /nfs/dbraw/zinc/20/44/13/488204413.db2.gz FLQWRWZVZYUIIN-HRDYMLBCSA-N 1 0 200.282 0.278 10 0 BCAERO C[NH2+][C@@H](C)C(=O)N[C@H]1CCC[C@H](O)C1 ZINC000054072693 488205648 /nfs/dbraw/zinc/20/56/48/488205648.db2.gz AFUBVCXAZXQQMS-CIUDSAMLSA-N 1 0 200.282 0.014 10 0 BCAERO C[N@H+](CCCO)C[C@@H]1CCC[C@@H](O)C1 ZINC000308564776 488207536 /nfs/dbraw/zinc/20/75/36/488207536.db2.gz HDGWJCAJEFZVFH-GHMZBOCLSA-N 1 0 201.310 0.852 10 0 BCAERO [NH3+]C1(CC(=O)NC[C@@H]2CCC[C@@H]2O)CC1 ZINC000398116441 488211250 /nfs/dbraw/zinc/21/12/50/488211250.db2.gz PJDDHQLSVBSTEE-IUCAKERBSA-N 1 0 212.293 0.145 10 0 BCAERO COC[C@H](C)[NH2+]C[C@H](C)CS(C)(=O)=O ZINC000308594473 488211753 /nfs/dbraw/zinc/21/17/53/488211753.db2.gz LWUVZHSKHHRHJD-IUCAKERBSA-N 1 0 223.338 0.292 10 0 BCAERO O=C(C[C@@H]1CCC[NH2+]C1)N[C@H]1CCC[C@@H](O)C1 ZINC000054306296 488244175 /nfs/dbraw/zinc/24/41/75/488244175.db2.gz JQLJCTNNMDKNIM-SDDRHHMPSA-N 1 0 240.347 0.796 10 0 BCAERO OCC1([NH2+]C[C@@H]2CCC[C@H](O)C2)CCOCC1 ZINC000383556229 490163334 /nfs/dbraw/zinc/16/33/34/490163334.db2.gz YVVXGEMPDWYNBW-NEPJUHHUSA-N 1 0 243.347 0.669 10 0 BCAERO Cn1nncc1C[NH2+][C@H]1CCC[C@H](O)C1 ZINC000129725673 490164264 /nfs/dbraw/zinc/16/42/64/490164264.db2.gz HRJLIEITWMNBAB-WPRPVWTQSA-N 1 0 210.281 0.208 10 0 BCAERO C[C@H]1CCN(c2ncnc3nc[nH]c32)C[C@H]1C[NH3+] ZINC000253184010 490166341 /nfs/dbraw/zinc/16/63/41/490166341.db2.gz GZYWSCVAKQPVPE-DTWKUNHWSA-N 1 0 246.318 0.774 10 0 BCAERO Fc1cccnc1NC[C@@H]1COCC[NH2+]1 ZINC000236203188 490192374 /nfs/dbraw/zinc/19/23/74/490192374.db2.gz HHIUTYHLMSMQGY-MRVPVSSYSA-N 1 0 211.240 0.621 10 0 BCAERO CN(C)c1ncccc1O[C@@H]1CC[NH2+]C1 ZINC000216655543 490218296 /nfs/dbraw/zinc/21/82/96/490218296.db2.gz JYCKQTIOKOPKPO-SECBINFHSA-N 1 0 207.277 0.888 10 0 BCAERO CCOC[C@H](O)C[NH2+]C[C@@H]1CCC[C@@H]1O ZINC000084237058 490382652 /nfs/dbraw/zinc/38/26/52/490382652.db2.gz JYEDOXNWBYQOQI-AXFHLTTASA-N 1 0 217.309 0.134 10 0 BCAERO O[C@@H](C[NH2+]C[C@H]1CCC[C@H]1O)C(F)(F)F ZINC000084237048 490382695 /nfs/dbraw/zinc/38/26/95/490382695.db2.gz VFHMGIOCZCUSOP-PRJMDXOYSA-N 1 0 227.226 0.660 10 0 BCAERO CCOc1cc(N2CC[C@H]([NH2+]C)C2)nc(C)n1 ZINC000129099539 490598603 /nfs/dbraw/zinc/59/86/03/490598603.db2.gz GFVVEBKJAZQUHD-JTQLQIEISA-N 1 0 236.319 0.982 10 0 BCAERO Cc1c(C[NH2+][C@H]2CCCN(C)C2)cnn1C ZINC000086551993 491063102 /nfs/dbraw/zinc/06/31/02/491063102.db2.gz GHXWPGKUGNFTCD-LBPRGKRZSA-N 1 0 222.336 0.912 10 0 BCAERO C[C@H](CS(C)(=O)=O)[NH2+][C@H]1CCC[C@@H](O)C1 ZINC000226892623 491052575 /nfs/dbraw/zinc/05/25/75/491052575.db2.gz VTKYDNSPLCFKLR-KXUCPTDWSA-N 1 0 235.349 0.313 10 0 BCAERO CCN1CCO[C@H](C[NH2+]CC2(C)COC2)C1 ZINC000087197655 491066727 /nfs/dbraw/zinc/06/67/27/491066727.db2.gz VUFRHLQGQHBOAZ-LLVKDONJSA-N 1 0 228.336 0.333 10 0 BCAERO CC(C)(C)[C@@H](O)CNC(=O)C[C@H]1CC[NH2+]C1 ZINC000324492844 491105351 /nfs/dbraw/zinc/10/53/51/491105351.db2.gz JHEQXMZQNKLYNA-ZJUUUORDSA-N 1 0 228.336 0.509 10 0 BCAERO CC[C@@H]1CC[C@@H](C)N(C(=O)[C@@H]([NH3+])COC)C1 ZINC000304318063 491109955 /nfs/dbraw/zinc/10/99/55/491109955.db2.gz FGHOSSJPYPBVAO-MXWKQRLJSA-N 1 0 228.336 0.997 10 0 BCAERO C[C@@H]1CN(C)C[C@@H]1[NH2+][C@@H]1CCC[C@H](O)C1 ZINC000309112652 491144917 /nfs/dbraw/zinc/14/49/17/491144917.db2.gz KFLNSOWVEPYIEK-WYUUTHIRSA-N 1 0 212.337 0.830 10 0 BCAERO CCN1C[C@H](C)[C@H]([NH2+][C@H]2CN(C)C[C@H]2C)C1 ZINC000309982429 491159362 /nfs/dbraw/zinc/15/93/62/491159362.db2.gz WVJGGFLEMJKWRK-MROQNXINSA-N 1 0 225.380 0.866 10 0 BCAERO CC[C@H]1[NH2+]C[C@@]2(COCCN2C)CO1 ZINC000757138826 582518720 /nfs/dbraw/zinc/51/87/20/582518720.db2.gz DVAKLWQRFIZMDY-VHSXEESVSA-N 1 0 200.282 0.043 10 0 BCAERO CCC[C@H]1CCO[C@]2(CCS(=O)(=O)C2)[NH2+]1 ZINC000757138992 582518572 /nfs/dbraw/zinc/51/85/72/582518572.db2.gz DXWQMQSUDCFDNA-UWVGGRQHSA-N 1 0 233.333 0.680 10 0 BCAERO CCC[C@@H]1CCO[C@@]2(CCS(=O)(=O)C2)[NH2+]1 ZINC000757138991 582518594 /nfs/dbraw/zinc/51/85/94/582518594.db2.gz DXWQMQSUDCFDNA-NXEZZACHSA-N 1 0 233.333 0.680 10 0 BCAERO [NH3+]C[C@@H]1CCN1CCOC1CCOCC1 ZINC000757145478 582528046 /nfs/dbraw/zinc/52/80/46/582528046.db2.gz LLWURKNKSIHQGO-JTQLQIEISA-N 1 0 214.309 0.215 10 0 BCAERO COc1ccc(CN2CC[C@H]2C[NH3+])nn1 ZINC000757146079 582529149 /nfs/dbraw/zinc/52/91/49/582529149.db2.gz OXYLZWRNDVTXEH-VIFPVBQESA-N 1 0 208.265 0.018 10 0 BCAERO CC(C)(C)[C@H]1C[NH2+][C@@]2(CCS(=O)(=O)C2)OC1 ZINC000757145814 582528630 /nfs/dbraw/zinc/52/86/30/582528630.db2.gz ITRAIVOBRXNGKC-ONGXEEELSA-N 1 0 247.360 0.783 10 0 BCAERO COc1ncnc(N2CC[C@@H]2C[NH3+])c1C ZINC000757145879 582528714 /nfs/dbraw/zinc/52/87/14/582528714.db2.gz MLHWPYRWEVIOHG-MRVPVSSYSA-N 1 0 208.265 0.331 10 0 BCAERO COC[C@H]1CCOC2(CC[NH+](C3CC3)CC2)N1 ZINC000757148879 582533054 /nfs/dbraw/zinc/53/30/54/582533054.db2.gz OMMVDWGZCXPEGS-LLVKDONJSA-N 1 0 240.347 0.966 10 0 BCAERO [NH3+][C@@H](CS(=O)(=O)N1CCCC1)C1CCCC1 ZINC000757150688 582534891 /nfs/dbraw/zinc/53/48/91/582534891.db2.gz HJYWRPXVUAYRRX-NSHDSACASA-N 1 0 246.376 0.930 10 0 BCAERO COC[C@@H]1CCO[C@]2(CCN(C)C2)[NH2+]1 ZINC000757153006 582537378 /nfs/dbraw/zinc/53/73/78/582537378.db2.gz VLXZLCLAWYRNEB-UWVGGRQHSA-N 1 0 200.282 0.043 10 0 BCAERO CN(CCC[C@@H](O)C[NH3+])C(=O)OC(C)(C)C ZINC000757166368 582547379 /nfs/dbraw/zinc/54/73/79/582547379.db2.gz RCKUVPLZAOXZQQ-SECBINFHSA-N 1 0 232.324 0.953 10 0 BCAERO NC(=O)[C@@H]([NH3+])CSCc1ccc(Cl)o1 ZINC000757166925 582547648 /nfs/dbraw/zinc/54/76/48/582547648.db2.gz XZMNTUWHCVYSMI-LURJTMIESA-N 1 0 234.708 0.979 10 0 BCAERO COC(=O)C[C@H]1COC2(CCC([NH3+])CC2)O1 ZINC000504446361 533734083 /nfs/dbraw/zinc/73/40/83/533734083.db2.gz KUWKRLLQNJEPMM-YUCVTWSNSA-N 1 0 229.276 0.563 10 0 BCAERO [NH3+]CCc1nc2n(n1)[C@@H]1CCCC[C@@H]1CN2 ZINC000236247147 582642992 /nfs/dbraw/zinc/64/29/92/582642992.db2.gz KUWGNKSFGQSTQN-RKDXNWHRSA-N 1 0 221.308 0.936 10 0 BCAERO CCCc1nc(CN2C[C@H]([NH3+])[C@@H](C)C2)no1 ZINC000233377093 535529105 /nfs/dbraw/zinc/52/91/05/535529105.db2.gz OJWVHHVUYRUSDS-IUCAKERBSA-N 1 0 224.308 0.801 10 0 BCAERO CCOCCN(CC)C(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000085013231 535582643 /nfs/dbraw/zinc/58/26/43/535582643.db2.gz IIJXPEMHAYITFT-MNOVXSKESA-N 1 0 228.336 0.999 10 0 BCAERO CC[C@@H]1COCCN1c1nccnc1C[NH3+] ZINC000054377424 535837195 /nfs/dbraw/zinc/83/71/95/535837195.db2.gz AHQRBNAQIDFPBR-SECBINFHSA-N 1 0 222.292 0.551 10 0 BCAERO CC[C@](C)(O)C[N@@H+]1CC[C@@H](O)[C@H](C)C1 ZINC000251648330 535847964 /nfs/dbraw/zinc/84/79/64/535847964.db2.gz IVQXSNAOCHJSFU-MXWKQRLJSA-N 1 0 201.310 0.850 10 0 BCAERO CC[C@H](OC)C(=O)N1CC[C@H](C)C[C@H]1C[NH3+] ZINC000261714064 536017716 /nfs/dbraw/zinc/01/77/16/536017716.db2.gz GKWJJSRBMGGUFQ-DCAQKATOSA-N 1 0 228.336 0.997 10 0 BCAERO CC[C@H](NC(=O)C[C@H]1COCC[NH2+]1)C(C)C ZINC000087509265 536159082 /nfs/dbraw/zinc/15/90/82/536159082.db2.gz XLNDCOKHRAJAAX-QWRGUYRKSA-N 1 0 228.336 0.916 10 0 BCAERO c1nnc2sc([C@H]3CCC[NH2+]C3)nn12 ZINC000032012185 518203986 /nfs/dbraw/zinc/20/39/86/518203986.db2.gz WHOGSJGQPQITPH-LURJTMIESA-N 1 0 209.278 0.653 10 0 BCAERO COC(=O)C[C@@H](C)NC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261620836 536305842 /nfs/dbraw/zinc/30/58/42/536305842.db2.gz AUSJBKXKIGTQIG-OPRDCNLKSA-N 1 0 242.319 0.429 10 0 BCAERO CC(=O)NCC1CCN(CC[NH2+]C(C)C)CC1 ZINC000226306807 534355556 /nfs/dbraw/zinc/35/55/56/534355556.db2.gz IKEMAISSOFMKTD-UHFFFAOYSA-N 1 0 241.379 0.833 10 0 BCAERO CCN(C)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[NH3+] ZINC000238856140 520270764 /nfs/dbraw/zinc/27/07/64/520270764.db2.gz UYSQIPDQTNSPFU-NXEZZACHSA-N 1 0 243.351 0.885 10 0 BCAERO C[NH2+][C@@H](C)CNc1ccnc(C(N)=O)c1 ZINC000261529644 536345063 /nfs/dbraw/zinc/34/50/63/536345063.db2.gz BFGYMYPACJCQGU-ZETCQYMHSA-N 1 0 208.265 0.200 10 0 BCAERO CCOC(=O)c1nc([C@@H]([NH3+])C2CC2)no1 ZINC000095532861 521598656 /nfs/dbraw/zinc/59/86/56/521598656.db2.gz UYUDSMGGEMVULT-LURJTMIESA-N 1 0 211.221 0.656 10 0 BCAERO CC(C)(C)CCC(=O)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000262062611 534575801 /nfs/dbraw/zinc/57/58/01/534575801.db2.gz AZHXRHLPPOJDDE-UWVGGRQHSA-N 1 0 228.336 0.509 10 0 BCAERO C[N@@H+]1CCC[C@@H]1Cn1cc(N)ccc1=O ZINC000386671739 582836454 /nfs/dbraw/zinc/83/64/54/582836454.db2.gz VJUHIHRLLNVZME-SNVBAGLBSA-N 1 0 207.277 0.525 10 0 BCAERO COC(=O)C1(N2CCCC2)CC[NH2+]CC1 ZINC000095533141 522836019 /nfs/dbraw/zinc/83/60/19/522836019.db2.gz FXCBDPVSKXVJNP-UHFFFAOYSA-N 1 0 212.293 0.377 10 0 BCAERO CCc1cc(NN)[nH+]c(NCCOC)n1 ZINC000057331654 523823268 /nfs/dbraw/zinc/82/32/68/523823268.db2.gz KPUFZWDFESTDNB-UHFFFAOYSA-N 1 0 211.269 0.383 10 0 BCAERO C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CS(=O)(=O)C[C@H]1O ZINC000252215268 524143466 /nfs/dbraw/zinc/14/34/66/524143466.db2.gz XMKDWHLIEMVMCH-VPOLOUISSA-N 1 0 247.360 0.313 10 0 BCAERO COC(=O)[C@](C)([NH3+])CCn1ccnc1C ZINC000045433079 582879051 /nfs/dbraw/zinc/87/90/51/582879051.db2.gz QUOSTUWKOROTJB-SNVBAGLBSA-N 1 0 211.265 0.472 10 0 BCAERO CCOC(=O)[C@](C)([NH3+])CCn1cccn1 ZINC000045435193 582879510 /nfs/dbraw/zinc/87/95/10/582879510.db2.gz FGEWWVMHMMLQEP-SNVBAGLBSA-N 1 0 211.265 0.554 10 0 BCAERO Cc1cnn(C[C@@H]([NH2+]C(C)C)C(N)=O)c1 ZINC000045436305 582879522 /nfs/dbraw/zinc/87/95/22/582879522.db2.gz JCLVHWZDNIYLFK-SECBINFHSA-N 1 0 210.281 0.043 10 0 BCAERO Cc1ccc(N2CCN(C(=O)C[NH3+])C[C@@H]2C)cc1 ZINC000229012149 524958881 /nfs/dbraw/zinc/95/88/81/524958881.db2.gz YUJDEEPFJDJROZ-LBPRGKRZSA-N 1 0 247.342 0.991 10 0 BCAERO Cc1ccc(N2CCN(C(=O)C[NH3+])C[C@H]2C)cc1 ZINC000229012136 524959183 /nfs/dbraw/zinc/95/91/83/524959183.db2.gz YUJDEEPFJDJROZ-GFCCVEGCSA-N 1 0 247.342 0.991 10 0 BCAERO Cc1ccccc1C(=O)NCCOCC[NH3+] ZINC000074533340 525056577 /nfs/dbraw/zinc/05/65/77/525056577.db2.gz IJZFPTHWVZCJDA-UHFFFAOYSA-N 1 0 222.288 0.700 10 0 BCAERO CC(C)(C)OC(=O)N1C[C@H]([NH3+])[C@@H](C(C)(C)O)C1 ZINC000306156369 526427828 /nfs/dbraw/zinc/42/78/28/526427828.db2.gz BJPFEBVYTLTISW-IUCAKERBSA-N 1 0 244.335 0.952 10 0 BCAERO CC(C)(C)[C@@H](CO)[NH2+]C[C@@H]1CNC(=O)O1 ZINC000308921129 526627306 /nfs/dbraw/zinc/62/73/06/526627306.db2.gz CGGTXOCWQHKHBJ-HTQZYQBOSA-N 1 0 216.281 0.091 10 0 BCAERO O=C(Cc1ccccn1)N[C@H]1CCC[NH2+]C1 ZINC000070949754 527295348 /nfs/dbraw/zinc/29/53/48/527295348.db2.gz DOGSWVSQDPUTTI-NSHDSACASA-N 1 0 219.288 0.492 10 0 BCAERO O=C(Cc1ccccn1)N[C@@H]1CCC[NH2+]C1 ZINC000070949752 527296008 /nfs/dbraw/zinc/29/60/08/527296008.db2.gz DOGSWVSQDPUTTI-LLVKDONJSA-N 1 0 219.288 0.492 10 0 BCAERO COC[C@@H](C)[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000173906310 536524609 /nfs/dbraw/zinc/52/46/09/536524609.db2.gz IMSRKQCPHJIGAU-NEPJUHHUSA-N 1 0 228.336 0.428 10 0 BCAERO CCNC(=O)CC[N@@H+]1C[C@H](C)C[C@H](O)C1 ZINC000401898757 528072904 /nfs/dbraw/zinc/07/29/04/528072904.db2.gz LZRSHLQSXFPCBO-ZJUUUORDSA-N 1 0 214.309 0.215 10 0 BCAERO CCCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)C[C@H](O)C1 ZINC000401647784 528538285 /nfs/dbraw/zinc/53/82/85/528538285.db2.gz IVHFWWIISSVMDN-SRVKXCTJSA-N 1 0 242.363 0.994 10 0 BCAERO CC(C)n1nnnc1C[NH2+]C1(CO)CCCC1 ZINC000305259897 528701105 /nfs/dbraw/zinc/70/11/05/528701105.db2.gz XNNDUSFCZOHJEH-UHFFFAOYSA-N 1 0 239.323 0.649 10 0 BCAERO CC[C@H](C)NC(=O)C[N@@H+]1C[C@@H](C)C[C@H](O)C1 ZINC000401738836 529159251 /nfs/dbraw/zinc/15/92/51/529159251.db2.gz IDPARPAANAOWPS-DCAQKATOSA-N 1 0 228.336 0.604 10 0 BCAERO COC1(C(=O)N[C@H]2CCO[C@H]2C)CC[NH2+]CC1 ZINC000261540727 536540752 /nfs/dbraw/zinc/54/07/52/536540752.db2.gz AKPOIEPJEGATNE-UWVGGRQHSA-N 1 0 242.319 0.049 10 0 BCAERO CCCNC(=O)CC[NH2+]Cc1ccnc(C)n1 ZINC000054790887 535047046 /nfs/dbraw/zinc/04/70/46/535047046.db2.gz HEEQAQQUBCCFNB-UHFFFAOYSA-N 1 0 236.319 0.791 10 0 BCAERO CC1(C)[C@H]([NH2+]CCCOCCO)[C@@H]2CCO[C@@H]21 ZINC000227501063 535069411 /nfs/dbraw/zinc/06/94/11/535069411.db2.gz QYRWJCQQTUYIDS-TUAOUCFPSA-N 1 0 243.347 0.789 10 0 BCAERO CCCNC(=O)CNC(=O)CC[C@H]1CCC[NH2+]1 ZINC000261562931 535072818 /nfs/dbraw/zinc/07/28/18/535072818.db2.gz WSFNKCZXZNTAIN-SNVBAGLBSA-N 1 0 241.335 0.161 10 0 BCAERO CC(C)(CO)CCCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000262151501 535163166 /nfs/dbraw/zinc/16/31/66/535163166.db2.gz RSJUPJWBTVICGQ-JTQLQIEISA-N 1 0 228.336 0.653 10 0 BCAERO CC(C)COCCN1C[C@H](C)[C@H]([NH3+])C1 ZINC000261527580 535177369 /nfs/dbraw/zinc/17/73/69/535177369.db2.gz CZTDDNTWGONACU-WDEREUQCSA-N 1 0 200.326 0.938 10 0 BCAERO CC(C)COC[C@H](O)C[NH2+]C1COC1 ZINC000087195303 535199446 /nfs/dbraw/zinc/19/94/46/535199446.db2.gz WIOCFOQJNOBFPT-SNVBAGLBSA-N 1 0 203.282 0.008 10 0 BCAERO CCCOCC(=O)NCC[C@H]1CCC[NH2+]1 ZINC000232230498 535225769 /nfs/dbraw/zinc/22/57/69/535225769.db2.gz DEGDFBVHOBFSHW-SNVBAGLBSA-N 1 0 214.309 0.671 10 0 BCAERO CC(C)[C@H]1C[C@@H](NC(=O)C2C[NH2+]C2)CCO1 ZINC000262239556 535245205 /nfs/dbraw/zinc/24/52/05/535245205.db2.gz NTWRJQXBVMCPMC-WDEREUQCSA-N 1 0 226.320 0.526 10 0 BCAERO CCC1(CC)[C@H](OC)C[C@@H]1NC(=O)C1C[NH2+]C1 ZINC000263263300 535275692 /nfs/dbraw/zinc/27/56/92/535275692.db2.gz GSRFLLNMPMXOPI-WDEREUQCSA-N 1 0 240.347 0.916 10 0 BCAERO CC(C)[C@H]1OCCC[C@@H]1CNC(=O)C1C[NH2+]C1 ZINC000263295788 535276559 /nfs/dbraw/zinc/27/65/59/535276559.db2.gz MHUCWBJNDMQWSN-ZYHUDNBSSA-N 1 0 240.347 0.773 10 0 BCAERO CC1(C)CN(C(=O)Cc2cc[nH]n2)CC[C@H]1[NH3+] ZINC000261829987 535337292 /nfs/dbraw/zinc/33/72/92/535337292.db2.gz IGBRUQWPDWBXLM-SNVBAGLBSA-N 1 0 236.319 0.538 10 0 BCAERO CC(C)CC(C)(C)C(=O)NC[C@H]1C[NH2+]C[C@H]1O ZINC000262140490 535382436 /nfs/dbraw/zinc/38/24/36/535382436.db2.gz HDZQBKHZZFZPQG-GHMZBOCLSA-N 1 0 242.363 0.755 10 0 BCAERO CCO[C@@H]1C[C@@H]1C(=O)N1CC[C@H](C[NH2+]C)C1 ZINC000179025702 535426952 /nfs/dbraw/zinc/42/69/52/535426952.db2.gz JATNNKDDWWFYMM-OUAUKWLOSA-N 1 0 226.320 0.479 10 0 BCAERO CC[NH2+]CCNC(=O)Cc1ccccn1 ZINC000054263208 535466688 /nfs/dbraw/zinc/46/66/88/535466688.db2.gz XOUJXAPQUSCEQI-UHFFFAOYSA-N 1 0 207.277 0.350 10 0 BCAERO CC[NH2+][C@H](C)CNC(=O)[C@@H](C)COC ZINC000261528554 535514963 /nfs/dbraw/zinc/51/49/63/535514963.db2.gz RPLPERWBRMWLKQ-DTWKUNHWSA-N 1 0 202.298 0.383 10 0 BCAERO CCC[C@@](C)([NH3+])C(=O)N(C)CC(=O)OCC ZINC000262720978 535521199 /nfs/dbraw/zinc/52/11/99/535521199.db2.gz ZUIRVHUHHOVNKJ-LLVKDONJSA-N 1 0 230.308 0.525 10 0 BCAERO CCO[C@@H]1C[C@H]1C(=O)NC1(C[NH3+])CCCC1 ZINC000179166748 535527611 /nfs/dbraw/zinc/52/76/11/535527611.db2.gz MIFANDNBDRWVJC-NXEZZACHSA-N 1 0 226.320 0.799 10 0 BCAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)CCOC ZINC000177020711 535545046 /nfs/dbraw/zinc/54/50/46/535545046.db2.gz RANDNORFZVDJBJ-LLVKDONJSA-N 1 0 228.336 0.966 10 0 BCAERO CCOCCN(CC)C(=O)[C@@H]1CCC[C@H]1[NH3+] ZINC000082921896 535582180 /nfs/dbraw/zinc/58/21/80/535582180.db2.gz UPYWYLKZQAAWDD-GHMZBOCLSA-N 1 0 228.336 0.999 10 0 BCAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)CNC(C)=O ZINC000177422954 535585008 /nfs/dbraw/zinc/58/50/08/535585008.db2.gz UERJTUKDPDJUOK-NSHDSACASA-N 1 0 241.335 0.065 10 0 BCAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)CCOC ZINC000177020724 535585134 /nfs/dbraw/zinc/58/51/34/535585134.db2.gz RANDNORFZVDJBJ-NSHDSACASA-N 1 0 228.336 0.966 10 0 BCAERO CC[N@@H+]1CCC[C@H]1CN(C)S(=O)(=O)C1CC1 ZINC000175394549 535592179 /nfs/dbraw/zinc/59/21/79/535592179.db2.gz VDURUOLTXGBMIE-JTQLQIEISA-N 1 0 246.376 0.895 10 0 BCAERO CCS(=O)(=O)CCN(C)C[C@@H]1CCC[NH2+]C1 ZINC000220378039 535627428 /nfs/dbraw/zinc/62/74/28/535627428.db2.gz JVPIJCWZUAFYIS-LLVKDONJSA-N 1 0 248.392 0.353 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N[C@H](C)CCCO ZINC000087360253 535678292 /nfs/dbraw/zinc/67/82/92/535678292.db2.gz HQPTYABNTLVJIZ-BDAKNGLRSA-N 1 0 202.298 0.391 10 0 BCAERO CCC[C@H](O)CNC(=O)[C@H]1CCC[C@H]1[NH3+] ZINC000252715081 535714382 /nfs/dbraw/zinc/71/43/82/535714382.db2.gz UOMQZDUNNXQFJR-LPEHRKFASA-N 1 0 214.309 0.391 10 0 BCAERO CC[C@@H](CC[NH3+])N1CCN(c2ncccn2)CC1 ZINC000036677527 535738971 /nfs/dbraw/zinc/73/89/71/535738971.db2.gz MEYGFWNTDOKCHR-LBPRGKRZSA-N 1 0 249.362 0.726 10 0 BCAERO CC[C@@H](O)C[NH2+][C@@H](C(=O)NC)C(C)C ZINC000183642822 535814100 /nfs/dbraw/zinc/81/41/00/535814100.db2.gz ZGZFYIBMZCDRGD-RKDXNWHRSA-N 1 0 202.298 0.118 10 0 BCAERO CCn1nccc1CN1CC[C@H]([NH3+])[C@H]1C ZINC000261537444 535870576 /nfs/dbraw/zinc/87/05/76/535870576.db2.gz VPENTMVJVVRPOH-KOLCDFICSA-N 1 0 208.309 0.825 10 0 BCAERO CCn1c(C)nnc1CN(C1CC1)[C@H]1CC[NH2+]C1 ZINC000262003845 535973229 /nfs/dbraw/zinc/97/32/29/535973229.db2.gz QSLOEALCXVGHJC-LBPRGKRZSA-N 1 0 249.362 0.933 10 0 BCAERO CCn1c(C)nnc1CN1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000261981400 535973610 /nfs/dbraw/zinc/97/36/10/535973610.db2.gz IBCWDTQTIGRCMT-GXSJLCMTSA-N 1 0 237.351 0.776 10 0 BCAERO CN(C(=O)CC[C@H]1CCOC1)C1C[NH2+]C1 ZINC000261548177 535976197 /nfs/dbraw/zinc/97/61/97/535976197.db2.gz NFVXJTPXKJCWSI-VIFPVBQESA-N 1 0 212.293 0.233 10 0 BCAERO CC[C@@](C)(O)C[N@H+](C)C[C@H](C)C(=O)OC ZINC000252005422 536001824 /nfs/dbraw/zinc/00/18/24/536001824.db2.gz ZUIAYZIRENXKMG-GXSJLCMTSA-N 1 0 217.309 0.888 10 0 BCAERO CC[C@H](OC)C(=O)N1CCC[C@H]1C[NH3+] ZINC000261530051 536015357 /nfs/dbraw/zinc/01/53/57/536015357.db2.gz BTVXELJYNXLXRD-IUCAKERBSA-N 1 0 200.282 0.361 10 0 BCAERO CCc1cnc(CCNC(=O)C2C[NH2+]C2)s1 ZINC000263318398 536021525 /nfs/dbraw/zinc/02/15/25/536021525.db2.gz QTWFDTSOEAGINR-UHFFFAOYSA-N 1 0 239.344 0.584 10 0 BCAERO CC[C@@]1(C)CCN(C(=O)[C@@H]([NH3+])COC)C1 ZINC000261533473 536045356 /nfs/dbraw/zinc/04/53/56/536045356.db2.gz BBUKVMHBLBKARF-ONGXEEELSA-N 1 0 214.309 0.609 10 0 BCAERO CCc1cc(=O)[nH]c(N2CCC(C[NH3+])CC2)n1 ZINC000057329479 536091461 /nfs/dbraw/zinc/09/14/61/536091461.db2.gz HBWPZWHSGOBKAH-UHFFFAOYSA-N 1 0 236.319 0.507 10 0 BCAERO CC[C@H](COC)NC(=O)[C@@H]1CCC[C@H]1[NH3+] ZINC000247002726 536117459 /nfs/dbraw/zinc/11/74/59/536117459.db2.gz SPHPXPNEVFVNRJ-OPRDCNLKSA-N 1 0 214.309 0.655 10 0 BCAERO CC[C@H](COC)NC(=O)[C@H]1CCC[C@H]1[NH3+] ZINC000247002704 536119082 /nfs/dbraw/zinc/11/90/82/536119082.db2.gz SPHPXPNEVFVNRJ-KXUCPTDWSA-N 1 0 214.309 0.655 10 0 BCAERO CCc1nc(C)cc(NCC[NH2+]CCOC)n1 ZINC000261561663 536126536 /nfs/dbraw/zinc/12/65/36/536126536.db2.gz VNHOIKXEWIFBOE-UHFFFAOYSA-N 1 0 238.335 0.995 10 0 BCAERO CCc1cc(N2CC[NH2+]C[C@H]2C)ncn1 ZINC000054375390 536146550 /nfs/dbraw/zinc/14/65/50/536146550.db2.gz PIKMMFIKIAELJM-SECBINFHSA-N 1 0 206.293 0.837 10 0 BCAERO COC(=O)C[C@@H](C)NC(=O)C[C@@H]1CC[NH2+]C1 ZINC000261593987 536304450 /nfs/dbraw/zinc/30/44/50/536304450.db2.gz XFTHHWDBDRCMEP-BDAKNGLRSA-N 1 0 228.292 0.054 10 0 BCAERO C[N@H+](CCCCCO)[C@@H]1CCC[C@@H]1O ZINC000227106685 536333887 /nfs/dbraw/zinc/33/38/87/536333887.db2.gz WBFWFGBIKCTUHD-MNOVXSKESA-N 1 0 201.310 0.994 10 0 BCAERO COC(=O)C[C@H](C)NC(=O)[C@@H]1C[C@H](C)CC[NH2+]1 ZINC000261553262 536338274 /nfs/dbraw/zinc/33/82/74/536338274.db2.gz NRINLZJYPJSUMT-UTLUCORTSA-N 1 0 242.319 0.442 10 0 BCAERO C[N@@H+]1CCCC[C@@H]1CCN1CCO[C@@H](CO)C1 ZINC000227332775 536353446 /nfs/dbraw/zinc/35/34/46/536353446.db2.gz FWJYCPMOYAGLKY-CHWSQXEVSA-N 1 0 242.363 0.554 10 0 BCAERO C[NH2+][C@H](C)CNC(=O)CC[C@@H]1CCOC1 ZINC000261546353 536391717 /nfs/dbraw/zinc/39/17/17/536391717.db2.gz KWRKLKMEHUEYGN-NXEZZACHSA-N 1 0 214.309 0.527 10 0 BCAERO C[NH2+][C@H](C)CNC(=O)COc1ccc(O)cc1 ZINC000261691345 536392084 /nfs/dbraw/zinc/39/20/84/536392084.db2.gz INGILEOUHWMZLN-SECBINFHSA-N 1 0 238.287 0.495 10 0 BCAERO C[NH2+][C@H](C)CNC(=O)c1cnc(C2CC2)[nH]1 ZINC000261634979 536399899 /nfs/dbraw/zinc/39/98/99/536399899.db2.gz CTBHLHFVWCZZJU-SSDOTTSWSA-N 1 0 222.292 0.625 10 0 BCAERO CNC(=O)c1cc(N2CCC(C[NH3+])CC2)ccn1 ZINC000044514660 536402972 /nfs/dbraw/zinc/40/29/72/536402972.db2.gz SZUWTRTVNYUSHZ-UHFFFAOYSA-N 1 0 248.330 0.616 10 0 BCAERO C[NH2+][C@H](C)CNS(=O)(=O)c1ccco1 ZINC000261534871 536403920 /nfs/dbraw/zinc/40/39/20/536403920.db2.gz NGXDHKLODGPWHN-SSDOTTSWSA-N 1 0 218.278 0.166 10 0 BCAERO C[NH2+][C@H](C)CNc1nc(C)cc(OC)n1 ZINC000261535640 536404824 /nfs/dbraw/zinc/40/48/24/536404824.db2.gz OXBGBGGIKKIQQI-MRVPVSSYSA-N 1 0 210.281 0.813 10 0 BCAERO COC(=O)C(C)(C)CNC(=O)[C@H]1CCC[C@@H]1[NH3+] ZINC000158964107 536425713 /nfs/dbraw/zinc/42/57/13/536425713.db2.gz FNLAIOUXVCKKJA-IUCAKERBSA-N 1 0 242.319 0.429 10 0 BCAERO CN1CCN(c2ncc(C[NH3+])cc2Cl)CC1 ZINC000051396159 536426210 /nfs/dbraw/zinc/42/62/10/536426210.db2.gz KAATWEHCSRIMSD-UHFFFAOYSA-N 1 0 240.738 0.946 10 0 BCAERO COC(=O)CN1CC[C@H](C)C[C@@H]1C[NH3+] ZINC000234520717 536472136 /nfs/dbraw/zinc/47/21/36/536472136.db2.gz IINJNPHAHRKDNR-DTWKUNHWSA-N 1 0 200.282 0.219 10 0 BCAERO COC(=O)[C@H](C)C[N@H+](C)[C@H]1CCC[C@@H]1O ZINC000251157588 536605981 /nfs/dbraw/zinc/60/59/81/536605981.db2.gz ZGPGQKQIFYZVBE-UTLUCORTSA-N 1 0 215.293 0.641 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N1CCC2(CCC2)C1 ZINC000261568603 536654818 /nfs/dbraw/zinc/65/48/18/536654818.db2.gz FQHACISXLQFUCM-SECBINFHSA-N 1 0 212.293 0.363 10 0 BCAERO COC[C@@H]([NH3+])C(=O)NC[C@H](O)C1CCCCC1 ZINC000262360673 536660474 /nfs/dbraw/zinc/66/04/74/536660474.db2.gz VNNNSGNRGUDHRJ-MNOVXSKESA-N 1 0 244.335 0.018 10 0 BCAERO COC[C@@H]([NH3+])C(=O)NCc1cccc(C)c1 ZINC000088003159 536662977 /nfs/dbraw/zinc/66/29/77/536662977.db2.gz ZODVCUYKPSNFKD-LLVKDONJSA-N 1 0 222.288 0.585 10 0 BCAERO COC[C@@H]([NH3+])C(=O)NCc1cccc(OC)c1 ZINC000159699040 536663494 /nfs/dbraw/zinc/66/34/94/536663494.db2.gz RBJIAAFXCAWEAQ-LLVKDONJSA-N 1 0 238.287 0.285 10 0 BCAERO COC[C@@H]([NH3+])C(=O)Nc1nnc(C(C)C)s1 ZINC000262231776 536674359 /nfs/dbraw/zinc/67/43/59/536674359.db2.gz GWPQIQDIKGFFQL-ZCFIWIBFSA-N 1 0 244.320 0.574 10 0 BCAERO COC[C@@H]([NH3+])C(=O)Nc1cnccc1C ZINC000088004309 536674769 /nfs/dbraw/zinc/67/47/69/536674769.db2.gz JLPQMAQWGZXQBG-MRVPVSSYSA-N 1 0 209.249 0.302 10 0 BCAERO COc1cc(C)nc(N2C[C@@H](C)[NH2+]C[C@@H]2C)n1 ZINC000129390479 536700410 /nfs/dbraw/zinc/70/04/10/536700410.db2.gz FIXRNQKVXAFEJU-ZJUUUORDSA-N 1 0 236.319 0.980 10 0 BCAERO COc1cc(C)nc(N2CC[C@H]([NH3+])[C@H](C)C2)n1 ZINC000164210444 536700751 /nfs/dbraw/zinc/70/07/51/536700751.db2.gz NDVKJIXVQJJENX-SCZZXKLOSA-N 1 0 236.319 0.967 10 0 BCAERO CO[C@@H]1CN(C(=O)[C@@H]2CC[C@H]([NH3+])C2)CC[C@@H]1C ZINC000261544707 536723407 /nfs/dbraw/zinc/72/34/07/536723407.db2.gz ZDQXZTZSYBMWDJ-WHOHXGKFSA-N 1 0 240.347 0.997 10 0 BCAERO COCc1cc(N2CCC([NH3+])CC2)nc(C)n1 ZINC000045950998 536723557 /nfs/dbraw/zinc/72/35/57/536723557.db2.gz BIBFGVVHUNVEPE-UHFFFAOYSA-N 1 0 236.319 0.859 10 0 BCAERO COC(=O)[C@H](NC[C@H]1CCC[NH2+]C1)C1CC1 ZINC000262010966 536739741 /nfs/dbraw/zinc/73/97/41/536739741.db2.gz VAQYMIFNUGYSDR-GXSJLCMTSA-N 1 0 226.320 0.527 10 0 BCAERO COC1CCN(c2ccc(C(N)=[NH2+])cn2)CC1 ZINC000037266398 536755637 /nfs/dbraw/zinc/75/56/37/536755637.db2.gz SMSUBCLFUMWXOK-UHFFFAOYSA-N 1 0 234.303 0.981 10 0 BCAERO COCCCC(=O)N[C@H]1CCC[NH2+][C@@H]1C ZINC000087421203 536870219 /nfs/dbraw/zinc/87/02/19/536870219.db2.gz DYHSLUQCYDMWPI-ZJUUUORDSA-N 1 0 214.309 0.670 10 0 BCAERO COc1cncnc1N1CC[NH2+][C@@H](C)C1 ZINC000034435251 537128187 /nfs/dbraw/zinc/12/81/87/537128187.db2.gz HEJJUDZBNTVHQV-QMMMGPOBSA-N 1 0 208.265 0.283 10 0 BCAERO Cc1nn(CC[C@@](C)([NH3+])C(N)=O)cc1Cl ZINC000070704270 537881430 /nfs/dbraw/zinc/88/14/30/537881430.db2.gz NEMQPXPQHZEWCE-SECBINFHSA-N 1 0 230.699 0.438 10 0 BCAERO CCC[NH2+]Cc1[nH]nnc1-c1ccnn1C ZINC000725257212 538061039 /nfs/dbraw/zinc/06/10/39/538061039.db2.gz JGVIITXWDOTWAS-UHFFFAOYSA-N 1 0 220.280 0.705 10 0 BCAERO C[NH2+]Cc1nnn(C2CC2)c1-c1ccnn1C ZINC000725257551 538065389 /nfs/dbraw/zinc/06/53/89/538065389.db2.gz QJXLESGPCJZHEF-UHFFFAOYSA-N 1 0 232.291 0.733 10 0 BCAERO O=C(Nc1ccnn1C1C[NH2+]C1)N1CCCC1 ZINC000725258000 538069721 /nfs/dbraw/zinc/06/97/21/538069721.db2.gz CPQLCLNQLXCSFE-UHFFFAOYSA-N 1 0 235.291 0.655 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)N[C@H]1CCOC1 ZINC000250643312 538106891 /nfs/dbraw/zinc/10/68/91/538106891.db2.gz IIXHIFCDTSBWCI-LPEHRKFASA-N 1 0 212.293 0.267 10 0 BCAERO Cn1nccc1CNC(=O)C1CCC([NH3+])CC1 ZINC000071334832 566285655 /nfs/dbraw/zinc/28/56/55/566285655.db2.gz SHOARZIHAJXUOT-UHFFFAOYSA-N 1 0 236.319 0.554 10 0 BCAERO CCOCC(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725259363 566305906 /nfs/dbraw/zinc/30/59/06/566305906.db2.gz XREYVDCEQQGAAK-UHFFFAOYSA-N 1 0 224.264 0.002 10 0 BCAERO C[C@](CC[NH3+])(NC(=O)[C@H]1CCOC1)C(F)F ZINC000669380663 566425290 /nfs/dbraw/zinc/42/52/90/566425290.db2.gz OYWAJLPORAEACP-OIBJUYFYSA-N 1 0 236.262 0.512 10 0 BCAERO COCCC[NH2+]CC[C@@H](CO)[C@@H]1CCOC1 ZINC000685963785 566487716 /nfs/dbraw/zinc/48/77/16/566487716.db2.gz WUHUCFYFZDVBSH-NWDGAFQWSA-N 1 0 231.336 0.648 10 0 BCAERO Cn1ccnc1[C@H]1[C@H]([NH3+])CCC(=O)N1C ZINC000395453752 583058142 /nfs/dbraw/zinc/05/81/42/583058142.db2.gz PACLKHBNVQVCHW-VXNVDRBHSA-N 1 0 208.265 0.041 10 0 BCAERO C[NH+](C)CC(=O)NCCc1cc(O)cc(F)c1 ZINC000725262740 566308688 /nfs/dbraw/zinc/30/86/88/566308688.db2.gz KSGTZHLUFQHAEU-UHFFFAOYSA-N 1 0 240.278 0.752 10 0 BCAERO CC(C)(O)C[N@@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000111135982 588723215 /nfs/dbraw/zinc/72/32/15/588723215.db2.gz SQRFMIBUZDOADO-SNVBAGLBSA-N 1 0 229.320 0.842 10 0 BCAERO COC(=O)c1c(C)nn2c1NCC[C@H]2C[NH3+] ZINC000234606950 582461542 /nfs/dbraw/zinc/46/15/42/582461542.db2.gz KMHBUZQKRSVOCJ-ZETCQYMHSA-N 1 0 224.264 0.294 10 0 BCAERO CO[C@@H](C)[C@@H](O)c1nc(C)c(C[NH3+])s1 ZINC000757123929 582498681 /nfs/dbraw/zinc/49/86/81/582498681.db2.gz BIVJRBWCPTVWJS-POYBYMJQSA-N 1 0 216.306 0.979 10 0 BCAERO C[NH2+]Cc1csc([C@H](O)[C@@H](C)OC)n1 ZINC000757134566 582511543 /nfs/dbraw/zinc/51/15/43/582511543.db2.gz YRQAOGSSBNJEAB-HTRCEHHLSA-N 1 0 216.306 0.931 10 0 BCAERO CN1CCOC[C@@]12C[NH2+]C1(CCC1)OC2 ZINC000757138937 582518419 /nfs/dbraw/zinc/51/84/19/582518419.db2.gz FCPPPBHBOMBJPG-SNVBAGLBSA-N 1 0 212.293 0.187 10 0 BCAERO CN1CC[C@@]2(C1)[NH2+]CC1(CCOCC1)CO2 ZINC000757139062 582518858 /nfs/dbraw/zinc/51/88/58/582518858.db2.gz FIBBIFCYICATQG-GFCCVEGCSA-N 1 0 226.320 0.435 10 0 BCAERO CO[C@@H](C)c1nsc(N2CC[C@H]2C[NH3+])n1 ZINC000757139370 582519769 /nfs/dbraw/zinc/51/97/69/582519769.db2.gz BDOGWGIPDVRXPQ-BQBZGAKWSA-N 1 0 228.321 0.783 10 0 BCAERO CCc1cc(CN2CC[C@@H]2C[NH3+])n(C)n1 ZINC000757142842 582522954 /nfs/dbraw/zinc/52/29/54/582522954.db2.gz FWDVTRFFOZWTNA-SNVBAGLBSA-N 1 0 208.309 0.516 10 0 BCAERO CC1(C)C[C@]2(CO1)[NH2+]CC1(COC1)CO2 ZINC000757144854 582525517 /nfs/dbraw/zinc/52/55/17/582525517.db2.gz PJRWNXDGZUWLPW-NSHDSACASA-N 1 0 213.277 0.518 10 0 BCAERO COc1ncc(Cl)c(N2CC[C@@H]2C[NH3+])n1 ZINC000757145095 582527301 /nfs/dbraw/zinc/52/73/01/582527301.db2.gz KOYDZKKXSWTPPX-ZCFIWIBFSA-N 1 0 228.683 0.676 10 0 BCAERO [NH3+]C[C@H]1CCN1CCOC1CCOCC1 ZINC000757145483 582528176 /nfs/dbraw/zinc/52/81/76/582528176.db2.gz LLWURKNKSIHQGO-SNVBAGLBSA-N 1 0 214.309 0.215 10 0 BCAERO CC1CCC2(CC1)[NH2+]C[C@]1(COCCN1)CO2 ZINC000757146206 582529279 /nfs/dbraw/zinc/52/92/79/582529279.db2.gz QRYAKFRJQBHNHO-CPCZMJQVSA-N 1 0 240.347 0.871 10 0 BCAERO NC(=O)[C@@H]1CCN1[C@H]1CCCCC[C@@H]1[NH3+] ZINC000757146191 582529441 /nfs/dbraw/zinc/52/94/41/582529441.db2.gz NURXIKVERFHBSR-GUBZILKMSA-N 1 0 211.309 0.206 10 0 BCAERO FC1(F)CNC2(C[C@H]3CC[C@@H](C2)[NH2+]3)OC1 ZINC000757146762 582530258 /nfs/dbraw/zinc/53/02/58/582530258.db2.gz LHMWXCVPJHLDPM-JWHQNHQBSA-N 1 0 218.247 0.852 10 0 BCAERO [NH3+]C[C@H]1CCN1CC1=CSC2=NCCN12 ZINC000757147562 582532055 /nfs/dbraw/zinc/53/20/55/582532055.db2.gz QKLXRHYLWFIWFQ-MRVPVSSYSA-N 1 0 224.333 0.279 10 0 BCAERO CC(C)(CN1CC[C@@H]1C[NH3+])CS(C)(=O)=O ZINC000757148572 582532612 /nfs/dbraw/zinc/53/26/12/582532612.db2.gz TUTQTVQUEHJKJO-SECBINFHSA-N 1 0 234.365 0.090 10 0 BCAERO C[C@@H](CCC(N)=S)[N@@H+]1CC[C@H]1C(N)=O ZINC000757158179 582540247 /nfs/dbraw/zinc/54/02/47/582540247.db2.gz OHWYQMNRFUMKNP-BQBZGAKWSA-N 1 0 215.322 0.001 10 0 BCAERO C[C@@H](CCC(N)=S)[N@@H+]1CC[C@@H]1C(N)=O ZINC000757158180 582540273 /nfs/dbraw/zinc/54/02/73/582540273.db2.gz OHWYQMNRFUMKNP-NKWVEPMBSA-N 1 0 215.322 0.001 10 0 BCAERO CCOC(=O)[C@H]1C[NH2+]C[C@@]12CCSC2 ZINC000757184497 582554401 /nfs/dbraw/zinc/55/44/01/582554401.db2.gz KSMYITCCRGMEKV-PSASIEDQSA-N 1 0 215.318 0.892 10 0 BCAERO [NH3+]C[C@@H]1CCNc2nc(C(F)(F)F)nn21 ZINC000236235564 582642233 /nfs/dbraw/zinc/64/22/33/582642233.db2.gz MPNDYIKDUGUGFH-BYPYZUCNSA-N 1 0 221.186 0.612 10 0 BCAERO [NH3+]C[C@@H]1CCNc2c3cccnc3nn21 ZINC000236235415 582642630 /nfs/dbraw/zinc/64/26/30/582642630.db2.gz WNWOWBXGGAYQEU-ZETCQYMHSA-N 1 0 203.249 0.747 10 0 BCAERO [NH3+]C[C@H]1CCNc2nc([C@H]3CCCO3)nn21 ZINC000236251054 582642832 /nfs/dbraw/zinc/64/28/32/582642832.db2.gz DFUCFZGQQZBUIO-HTQZYQBOSA-N 1 0 223.280 0.445 10 0 BCAERO [NH3+]CCc1nc2n(n1)[C@@H](C1CC1)CCN2 ZINC000236244371 582642858 /nfs/dbraw/zinc/64/28/58/582642858.db2.gz UXHYTNBBLJRPEI-MRVPVSSYSA-N 1 0 207.281 0.546 10 0 BCAERO Clc1cncc(N2CCC[NH2+]CC2)n1 ZINC000146422940 582735664 /nfs/dbraw/zinc/73/56/64/582735664.db2.gz HCZRQDZSEJRDJS-UHFFFAOYSA-N 1 0 212.684 0.930 10 0 BCAERO CCC(=O)N[C@H]1CCOC12CC[NH2+]CC2 ZINC000725269968 582818400 /nfs/dbraw/zinc/81/84/00/582818400.db2.gz VHOLHPVKZREHKJ-VIFPVBQESA-N 1 0 212.293 0.424 10 0 BCAERO C[C@@H]([NH2+]C1CCN(CCO)CC1)C1CC1 ZINC000393609987 582819810 /nfs/dbraw/zinc/81/98/10/582819810.db2.gz NAKMNIRBNBUGJE-SNVBAGLBSA-N 1 0 212.337 0.831 10 0 BCAERO C[NH2+][C@H](C)C(=O)N1CCO[C@H](C)[C@H]1C ZINC000307101473 582841023 /nfs/dbraw/zinc/84/10/23/582841023.db2.gz HVCJWYPQNXFNQK-IWSPIJDZSA-N 1 0 200.282 0.230 10 0 BCAERO Cc1cc(N)nc(N2CCC[C@H]2CO)[nH+]1 ZINC000892334234 582858811 /nfs/dbraw/zinc/85/88/11/582858811.db2.gz RZQXTFCBKLSQTN-QMMMGPOBSA-N 1 0 208.265 0.328 10 0 BCAERO CC(C)(C)OC(=O)CN1CCC[C@@H](C[NH3+])C1 ZINC000044529952 582864793 /nfs/dbraw/zinc/86/47/93/582864793.db2.gz IINDOWVTNUZHSW-JTQLQIEISA-N 1 0 228.336 0.999 10 0 BCAERO CC(C)S(=O)(=O)CCn1cc[nH+]c1N ZINC000702460645 582926745 /nfs/dbraw/zinc/92/67/45/582926745.db2.gz TYAUPMIKPDPCAZ-UHFFFAOYSA-N 1 0 217.294 0.289 10 0 BCAERO CNC(=O)c1cc(C[NH3+])n2c1CCCC2 ZINC000708088748 582977157 /nfs/dbraw/zinc/97/71/57/582977157.db2.gz IWFLBRDYALKGPP-UHFFFAOYSA-N 1 0 207.277 0.643 10 0 BCAERO CCN1CCO[C@H](C[NH2+][C@H](C)CCCCO)C1 ZINC000398372505 583129308 /nfs/dbraw/zinc/12/93/08/583129308.db2.gz JEIJRLDGAXRKMP-CHWSQXEVSA-N 1 0 244.379 0.848 10 0 BCAERO [NH3+]C(CO)(CO)CCCc1ccccc1 ZINC000148554303 583996692 /nfs/dbraw/zinc/99/66/92/583996692.db2.gz MLLUDNVFLYTAGE-UHFFFAOYSA-N 1 0 209.289 0.691 10 0 BCAERO C[C@@H](C[NH3+])NS(=O)(=O)/C=C\c1ccccc1 ZINC000215563506 584953981 /nfs/dbraw/zinc/95/39/81/584953981.db2.gz JRCUJGPMESVEMB-DMEOUFDRSA-N 1 0 240.328 0.924 10 0 BCAERO O[C@@]1(c2cn[nH]n2)CC[N@@H+](C2CCCC2)C1 ZINC000794092173 586032261 /nfs/dbraw/zinc/03/22/61/586032261.db2.gz PZRFHYSBPVUXHX-NSHDSACASA-N 1 0 222.292 0.641 10 0 BCAERO C[NH+](C)CCn1nnc2c1nc[nH]c2=S ZINC000757568890 586358582 /nfs/dbraw/zinc/35/85/82/586358582.db2.gz QDZMLNSXWUJQJT-UHFFFAOYSA-N 1 0 224.293 0.072 10 0 BCAERO [NH3+]CCc1csc([C@H](O)C(F)F)n1 ZINC000757134713 586426790 /nfs/dbraw/zinc/42/67/90/586426790.db2.gz YTTGOYFWTADFAZ-RXMQYKEDSA-N 1 0 208.233 0.943 10 0 BCAERO NC(=O)[C@H]1CCN1[C@@H](C[NH3+])c1ccsc1 ZINC000757144382 586428114 /nfs/dbraw/zinc/42/81/14/586428114.db2.gz JYUIKNJAIYDTQR-BDAKNGLRSA-N 1 0 225.317 0.308 10 0 BCAERO NC(=O)[C@@H]1CCN1[C@H](C[NH3+])c1ccsc1 ZINC000757144383 586428160 /nfs/dbraw/zinc/42/81/60/586428160.db2.gz JYUIKNJAIYDTQR-DTWKUNHWSA-N 1 0 225.317 0.308 10 0 BCAERO CC(C)[C@@H]([NH3+])CS(=O)(=O)N1C2CCC1CC2 ZINC000757154434 586429991 /nfs/dbraw/zinc/42/99/91/586429991.db2.gz ZBHNNXSMCVEXKS-ILDUYXDCSA-N 1 0 246.376 0.926 10 0 BCAERO [NH3+]C[C@H]1CCN1c1nccnc1C(F)F ZINC000757154250 586430236 /nfs/dbraw/zinc/43/02/36/586430236.db2.gz XPGICOSXQGWHME-ZCFIWIBFSA-N 1 0 214.219 0.952 10 0 BCAERO CC(C)(C)OC(=O)N[C@H]1C[C@@H](O)C12C[NH2+]C2 ZINC000757168357 586432724 /nfs/dbraw/zinc/43/27/24/586432724.db2.gz CZMQIEKUJUCUFG-JGVFFNPUSA-N 1 0 228.292 0.234 10 0 BCAERO COC(=O)c1c[nH]nc1[C@@H]1C[NH2+]C[C@H]1C ZINC000757170940 586433050 /nfs/dbraw/zinc/43/30/50/586433050.db2.gz MBBKGZIEBZPAAL-RNFRBKRXSA-N 1 0 209.249 0.519 10 0 BCAERO COC(=O)[C@H]1C[NH2+]C[C@]12CCCSC2 ZINC000757186254 586433597 /nfs/dbraw/zinc/43/35/97/586433597.db2.gz WRWVCODYJVKMMV-SCZZXKLOSA-N 1 0 215.318 0.892 10 0 BCAERO CC(C)(C)OC(=O)[C@@H]1C[NH2+]CC12COC2 ZINC000757185802 586433859 /nfs/dbraw/zinc/43/38/59/586433859.db2.gz SLNKGCSECOMVOO-QMMMGPOBSA-N 1 0 213.277 0.564 10 0 BCAERO CC(C)C[NH+]1CCC(C(CO)CO)CC1 ZINC000757191063 586434163 /nfs/dbraw/zinc/43/41/63/586434163.db2.gz GVBVGVVVAZYPAG-UHFFFAOYSA-N 1 0 215.337 0.955 10 0 BCAERO CC(C)(C)OC(=O)[C@H]1C[NH2+]C[C@]12CCOC2 ZINC000757185848 586434190 /nfs/dbraw/zinc/43/41/90/586434190.db2.gz UEXIOYIVMLZUEQ-SKDRFNHKSA-N 1 0 227.304 0.954 10 0 BCAERO C[N@@H+]1CCC[C@]2(C[NH2+]C[C@@H]2C(=O)[O-])CC1 ZINC000757187421 586434776 /nfs/dbraw/zinc/43/47/76/586434776.db2.gz ZQDYALFRWYFFMV-MWLCHTKSSA-N 1 0 212.293 0.393 10 0 BCAERO O=C([O-])[C@@H]1C[NH2+]CC12CC[NH+](C1CC1)CC2 ZINC000757186049 586434789 /nfs/dbraw/zinc/43/47/89/586434789.db2.gz VLCWDHDGLJHKOJ-JTQLQIEISA-N 1 0 224.304 0.535 10 0 BCAERO CCOC(=O)[C@@H]1C[NH2+]C[C@@H]1c1ncnn1CC ZINC000757189243 586435139 /nfs/dbraw/zinc/43/51/39/586435139.db2.gz MWGXZVVUOKZZMV-DTWKUNHWSA-N 1 0 238.291 0.164 10 0 BCAERO COC(=O)[C@H](C[NH3+])[C@@H]1COC(C)(C)C1 ZINC000757190973 586435399 /nfs/dbraw/zinc/43/53/99/586435399.db2.gz HFZRLELEHPUIFX-JGVFFNPUSA-N 1 0 201.266 0.549 10 0 BCAERO [NH3+]Cc1cccc([C@@H]2CC[NH2+]C[C@@H]2C(=O)[O-])c1 ZINC000757208033 586437903 /nfs/dbraw/zinc/43/79/03/586437903.db2.gz CBXKKAPZXDDTFU-RYUDHWBXSA-N 1 0 234.299 0.923 10 0 BCAERO O=C([O-])[C@@H]1[NH2+]CCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000757209451 586438587 /nfs/dbraw/zinc/43/85/87/586438587.db2.gz FEZGUBQYCQHDTL-IVZWLZJFSA-N 1 0 212.293 0.439 10 0 BCAERO CCNS(=O)(=O)C[C@@]12CC[C@@H](C[C@@H]1[NH3+])C2 ZINC000757210969 586438788 /nfs/dbraw/zinc/43/87/88/586438788.db2.gz IFMGRXAEDMLSNX-GUBZILKMSA-N 1 0 232.349 0.443 10 0 BCAERO CCn1cc([C@@H]2C[C@H](C)[C@H]([NH3+])CN2)cn1 ZINC000757227360 586442576 /nfs/dbraw/zinc/44/25/76/586442576.db2.gz BNJIIDKBKYZBBR-GDPRMGEGSA-N 1 0 208.309 0.901 10 0 BCAERO C[C@@H]1C[C@H]([C@@H]2C[C@H](C(=O)[O-])CC[NH2+]2)CC[NH2+]1 ZINC000757229454 586442654 /nfs/dbraw/zinc/44/26/54/586442654.db2.gz FAKZNBIJEWYFNL-DBIOUOCHSA-N 1 0 226.320 0.827 10 0 BCAERO CCn1cc([C@@H]2NCC[C@@H](C)[C@H]2[NH3+])cn1 ZINC000757235590 586443308 /nfs/dbraw/zinc/44/33/08/586443308.db2.gz LUUCPBPGILXBEW-IEBDPFPHSA-N 1 0 208.309 0.901 10 0 BCAERO C[C@@H]1C[C@H]([C@@H]2CC[NH2+]C[C@H]2C(=O)[O-])CC[NH2+]1 ZINC000757235702 586443525 /nfs/dbraw/zinc/44/35/25/586443525.db2.gz MJJSKJPEVZNYPO-CHWFTXMASA-N 1 0 226.320 0.685 10 0 BCAERO C[C@@H]1C[C@H]([C@H]2[NH2+]CCC[C@H]2C(=O)[O-])CC[NH2+]1 ZINC000757237871 586443551 /nfs/dbraw/zinc/44/35/51/586443551.db2.gz QRTMMRUCWDUVCC-GWOFURMSSA-N 1 0 226.320 0.827 10 0 BCAERO C[C@@H]1C[C@H]([C@@H]2[NH2+]CCC[C@H]2C(=O)[O-])CC[NH2+]1 ZINC000757237847 586443873 /nfs/dbraw/zinc/44/38/73/586443873.db2.gz QRTMMRUCWDUVCC-DBIOUOCHSA-N 1 0 226.320 0.827 10 0 BCAERO C[C@@H]1C[C@H]([C@H]2[NH2+]CCC[C@@H]2C(=O)[O-])CC[NH2+]1 ZINC000757237836 586443879 /nfs/dbraw/zinc/44/38/79/586443879.db2.gz QRTMMRUCWDUVCC-CHWFTXMASA-N 1 0 226.320 0.827 10 0 BCAERO C[C@@H]1C[C@H]([C@@H]2[NH2+]CCC[C@@H]2C(=O)[O-])CC[NH2+]1 ZINC000757237885 586443889 /nfs/dbraw/zinc/44/38/89/586443889.db2.gz QRTMMRUCWDUVCC-ZNSHCXBVSA-N 1 0 226.320 0.827 10 0 BCAERO COC(=O)c1ccc(N[C@H](C)C[NH3+])nc1 ZINC000107208490 588342689 /nfs/dbraw/zinc/34/26/89/588342689.db2.gz YSNLELZQGXKIGK-SSDOTTSWSA-N 1 0 209.249 0.627 10 0 BCAERO O=Cc1ccc(CN2CC[NH2+]CC2)cc1 ZINC000108271822 588453131 /nfs/dbraw/zinc/45/31/31/588453131.db2.gz MASHZAONJZRFTQ-UHFFFAOYSA-N 1 0 204.273 0.904 10 0 BCAERO C[C@]1(NC(=O)[C@H]2CC[C@H]([NH3+])C2)CCOC1 ZINC000119136782 589245400 /nfs/dbraw/zinc/24/54/00/589245400.db2.gz KLCWIZQHFYQIPG-QXEWZRGKSA-N 1 0 212.293 0.409 10 0 BCAERO C[NH2+][C@H](C)c1nc(-c2nccn2C)no1 ZINC000122156121 589557846 /nfs/dbraw/zinc/55/78/46/589557846.db2.gz YWDABGWGOIVYLD-ZCFIWIBFSA-N 1 0 207.237 0.751 10 0 BCAERO Cn1ccnc1-c1noc([C@@H]2CC[NH2+]C2)n1 ZINC000122167821 589560409 /nfs/dbraw/zinc/56/04/09/589560409.db2.gz QLZXICQTLRMCOE-SSDOTTSWSA-N 1 0 219.248 0.547 10 0 BCAERO COC[C@@H](C)NC(=S)N1CC[C@@H]([NH+](C)C)C1 ZINC000122386370 589584922 /nfs/dbraw/zinc/58/49/22/589584922.db2.gz VUVOCDHUCVAVII-NXEZZACHSA-N 1 0 245.392 0.532 10 0 BCAERO C[C@@H]1CN(C(=O)n2ccnc2)C[C@@H]1[NH+](C)C ZINC000123932285 589863328 /nfs/dbraw/zinc/86/33/28/589863328.db2.gz DGPGGNHPKCTBSH-ZJUUUORDSA-N 1 0 222.292 0.733 10 0 BCAERO COC[C@H](C)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000124074592 589925738 /nfs/dbraw/zinc/92/57/38/589925738.db2.gz KFTSBASUPMIQOO-IUCAKERBSA-N 1 0 200.282 0.137 10 0 BCAERO CC(C)[C@@H]([NH3+])C(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000019504390 589940771 /nfs/dbraw/zinc/94/07/71/589940771.db2.gz AYMDNTIHMICLTC-LPEHRKFASA-N 1 0 214.309 0.606 10 0 BCAERO C[NH2+][C@@H]1CCN(c2nnnn2-c2ccccc2)C1 ZINC000129152655 591260860 /nfs/dbraw/zinc/26/08/60/591260860.db2.gz JPPPXJROBIHSMK-SNVBAGLBSA-N 1 0 244.302 0.460 10 0 BCAERO CN(CC[NH3+])S(=O)(=O)/C=C\c1ccccc1 ZINC000212260575 591338602 /nfs/dbraw/zinc/33/86/02/591338602.db2.gz MBGDJNSPAIZDJB-YFHOEESVSA-N 1 0 240.328 0.878 10 0 BCAERO CN(C[C@H]1CC[N@H+](C)C1)C(=O)n1ccnc1 ZINC000129988932 591427640 /nfs/dbraw/zinc/42/76/40/591427640.db2.gz KAJJIDXRGSNBHT-JTQLQIEISA-N 1 0 222.292 0.735 10 0 BCAERO C[C@@H]1C[C@@H]1NC(=O)c1ccnc(C[NH3+])c1 ZINC000130251397 591450801 /nfs/dbraw/zinc/45/08/01/591450801.db2.gz ABNKSHAWTXDCJY-XCBNKYQSSA-N 1 0 205.261 0.679 10 0 BCAERO CC(C)(C)[C@@H](O)C[NH2+][C@H]1CCCS(=O)(=O)C1 ZINC000132175811 591692280 /nfs/dbraw/zinc/69/22/80/591692280.db2.gz PMWVAIWWDAABIY-UWVGGRQHSA-N 1 0 249.376 0.560 10 0 BCAERO CN(C)c1nccc(N2CC[C@H]3CC[C@@H](C2)[NH2+]3)n1 ZINC000132508395 591714871 /nfs/dbraw/zinc/71/48/71/591714871.db2.gz UFZCFGIVAWWPHY-MNOVXSKESA-N 1 0 247.346 0.873 10 0 BCAERO Cc1ccc(C[NH2+][C@@H]2CCCNC2=O)cn1 ZINC000133298410 591784494 /nfs/dbraw/zinc/78/44/94/591784494.db2.gz UQSGDIACXAAKGY-LLVKDONJSA-N 1 0 219.288 0.758 10 0 BCAERO COCc1cc(C(=O)NC[C@@H]2CC[NH2+]C2)no1 ZINC000133642843 591845146 /nfs/dbraw/zinc/84/51/46/591845146.db2.gz COTBYKWWFGVHKT-MRVPVSSYSA-N 1 0 239.275 0.160 10 0 BCAERO C[C@@H]1OCC[C@@H]1NC(=O)C(C)(C)C[NH3+] ZINC000134248939 591907119 /nfs/dbraw/zinc/90/71/19/591907119.db2.gz YPPGOFICZOLQRW-YUMQZZPRSA-N 1 0 200.282 0.265 10 0 BCAERO C[C@@H]1OCC[C@@H]1NC(=O)C1([NH3+])CCCCC1 ZINC000134257586 591907550 /nfs/dbraw/zinc/90/75/50/591907550.db2.gz OZKYLPKZRZEQDJ-UWVGGRQHSA-N 1 0 226.320 0.942 10 0 BCAERO C[C@@H]1OCC[C@H]1NC(=O)[C@]1(C)CC[NH2+]C1 ZINC000134259951 591907773 /nfs/dbraw/zinc/90/77/73/591907773.db2.gz VKVOAMUPFUTXSZ-IQJOONFLSA-N 1 0 212.293 0.280 10 0 BCAERO C[C@@H]1OCC[C@@H]1NC(=O)[C@@H]1CCC[NH2+]C1 ZINC000134256818 591908037 /nfs/dbraw/zinc/90/80/37/591908037.db2.gz WRCQAXPJWKAOCP-AEJSXWLSSA-N 1 0 212.293 0.280 10 0 BCAERO COC(=O)C[C@@H]([NH3+])c1c(C)nn(C)c1OC ZINC000135125393 591991283 /nfs/dbraw/zinc/99/12/83/591991283.db2.gz UOWRRVQZBIYFDG-SSDOTTSWSA-N 1 0 227.264 0.300 10 0 BCAERO CCN(CC)C(=O)CNC(=O)[C@@]1(C)CCC[NH2+]1 ZINC000135364090 592009819 /nfs/dbraw/zinc/00/98/19/592009819.db2.gz JMTRRYQLRQLDEE-GFCCVEGCSA-N 1 0 241.335 0.113 10 0 BCAERO C[C@H]1C[C@H](C[NH3+])CN1c1ccnc(N(C)C)n1 ZINC000216154222 592011429 /nfs/dbraw/zinc/01/14/29/592011429.db2.gz SERSCWAWPJPKQL-VHSXEESVSA-N 1 0 235.335 0.716 10 0 BCAERO O=C(CCc1ccncc1)NC[C@H]1CC[NH2+]C1 ZINC000136039492 592091094 /nfs/dbraw/zinc/09/10/94/592091094.db2.gz XVTVOXDXZUHNDR-LBPRGKRZSA-N 1 0 233.315 0.740 10 0 BCAERO O=C(CCc1ccccn1)NC[C@@H]1CC[NH2+]C1 ZINC000136039285 592091172 /nfs/dbraw/zinc/09/11/72/592091172.db2.gz AVTHUYUWWRJIKU-LLVKDONJSA-N 1 0 233.315 0.740 10 0 BCAERO Cn1nccc1-c1ccnc(NCC[NH3+])n1 ZINC000002538469 592161022 /nfs/dbraw/zinc/16/10/22/592161022.db2.gz CYRNQEZYCCCKSW-UHFFFAOYSA-N 1 0 218.264 0.248 10 0 BCAERO CC(C)C[C@H](O)CNC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000300214569 592504668 /nfs/dbraw/zinc/50/46/68/592504668.db2.gz ZQXGKVLOKACCHP-DCAQKATOSA-N 1 0 228.336 0.637 10 0 BCAERO CS[C@@H]1CC[C@H](NC(=O)[C@H]2CC[NH2+]C2)C1 ZINC000300358903 592508126 /nfs/dbraw/zinc/50/81/26/592508126.db2.gz LSWAJKOINXGWFU-LPEHRKFASA-N 1 0 228.361 0.996 10 0 BCAERO CCN1CCC[C@H]([NH2+][C@@H]2CCCNC(=O)C2)C1 ZINC000111828441 634536405 /nfs/dbraw/zinc/53/64/05/634536405.db2.gz HICIDULQUAKRFE-NEPJUHHUSA-N 1 0 239.363 0.729 10 0 BCAERO C[C@H](NC(=O)[C@@H]1CCC[C@@H]1C[NH3+])c1nc[nH]n1 ZINC000227433748 634541532 /nfs/dbraw/zinc/54/15/32/634541532.db2.gz TUOCCWZEUQPJEN-DJLDLDEBSA-N 1 0 237.307 0.357 10 0 BCAERO C[C@@H](O)[C@H](C)[NH2+]Cc1cn(C(C)(C)C)nn1 ZINC000336777009 635287771 /nfs/dbraw/zinc/28/77/71/635287771.db2.gz HEAPDBOKDIKDEC-DTWKUNHWSA-N 1 0 226.324 0.892 10 0 BCAERO COC(=O)[C@H]1C[N@H+](CCCCCO)C[C@H]1C ZINC000094996643 635404342 /nfs/dbraw/zinc/40/43/42/635404342.db2.gz XPYRXUFBXGOPLU-MNOVXSKESA-N 1 0 229.320 0.890 10 0 BCAERO CN(C[C@H]1CCCO1)[C@H](C[NH3+])C(F)(F)F ZINC000250417686 635469301 /nfs/dbraw/zinc/46/93/01/635469301.db2.gz OTWWJGBMPIFTKA-HTQZYQBOSA-N 1 0 226.242 0.987 10 0 BCAERO CCC(CC)(CNC(=O)[C@@H]([NH3+])COC)SC ZINC000232924803 635520837 /nfs/dbraw/zinc/52/08/37/635520837.db2.gz IWJHTSVMONUTTK-VIFPVBQESA-N 1 0 248.392 0.998 10 0 BCAERO CC1(c2noc([C@H]3C[C@@H](O)C[NH2+]3)n2)CC1 ZINC000163683993 635568556 /nfs/dbraw/zinc/56/85/56/635568556.db2.gz MDIYRMXEIXVJPR-RNFRBKRXSA-N 1 0 209.249 0.516 10 0 BCAERO C[C@@H](O)C1CC[NH+](Cc2cnc(N)cn2)CC1 ZINC000235313645 635574413 /nfs/dbraw/zinc/57/44/13/635574413.db2.gz WLKKAFMBMBWPAA-SECBINFHSA-N 1 0 236.319 0.652 10 0 BCAERO CC[NH+](CC)[C@@H](C)CNC(=S)NC ZINC000308240861 631216590 /nfs/dbraw/zinc/21/65/90/631216590.db2.gz SPDJVGWFWYEVOV-QMMMGPOBSA-N 1 0 203.355 0.811 10 0 BCAERO N#Cc1cc(N2CC[N@@H+]3CCC[C@@H]3C2)ncn1 ZINC000393879394 631224725 /nfs/dbraw/zinc/22/47/25/631224725.db2.gz KGNDTFCHVLCFMQ-LLVKDONJSA-N 1 0 229.287 0.633 10 0 BCAERO CCN(CC)S(=O)(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000061883992 631340701 /nfs/dbraw/zinc/34/07/01/631340701.db2.gz ADNOGNWULRUIDK-UWVGGRQHSA-N 1 0 249.380 0.290 10 0 BCAERO CC[S@@](=O)CC[NH2+]C[C@@H](O)C(C)(C)C ZINC000308513655 631411035 /nfs/dbraw/zinc/41/10/35/631411035.db2.gz DFNCXOOKLJMXKI-YMTOWFKASA-N 1 0 221.366 0.752 10 0 BCAERO CC[C@H](CO)[NH2+]C[C@H]1CCC[C@H](O)C1 ZINC000308569109 631430801 /nfs/dbraw/zinc/43/08/01/631430801.db2.gz JGKQGYAXNIZZTH-AXFHLTTASA-N 1 0 201.310 0.898 10 0 BCAERO CC(C)OC[C@H](O)CN1CC[NH2+]CC1(C)C ZINC000083842808 631430873 /nfs/dbraw/zinc/43/08/73/631430873.db2.gz PGHASYNXCZPZSB-LLVKDONJSA-N 1 0 230.352 0.456 10 0 BCAERO CC(C)(CO)[NH2+]C[C@](C)(O)C(F)(F)F ZINC000308608259 631445485 /nfs/dbraw/zinc/44/54/85/631445485.db2.gz JRMNXCLIECXNHN-ZETCQYMHSA-N 1 0 215.215 0.660 10 0 BCAERO CC(C)(O)C[NH2+]C[C@@H]1CN2CCC[C@@H]2CO1 ZINC000085790568 631463172 /nfs/dbraw/zinc/46/31/72/631463172.db2.gz IICFAUMZYBDPBP-GHMZBOCLSA-N 1 0 228.336 0.210 10 0 BCAERO C[NH2+][C@H](C)CNS(=O)(=O)N1CCCCCC1 ZINC000234439449 631527768 /nfs/dbraw/zinc/52/77/68/631527768.db2.gz UTZJGBYDKHPDMX-SNVBAGLBSA-N 1 0 249.380 0.305 10 0 BCAERO C[NH2+][C@H](C)CNS(=O)(=O)c1ccccc1F ZINC000234440693 631527785 /nfs/dbraw/zinc/52/77/85/631527785.db2.gz NFEURFGNJJLCME-MRVPVSSYSA-N 1 0 246.307 0.712 10 0 BCAERO C[NH2+][C@H](C)CNS(=O)(=O)c1ccccc1C ZINC000234440635 631527805 /nfs/dbraw/zinc/52/78/05/631527805.db2.gz IEARBNWDUSHPJL-SNVBAGLBSA-N 1 0 242.344 0.881 10 0 BCAERO C[NH2+][C@H](C)CNS(=O)(=O)N1CCC[C@@H](C)C1 ZINC000234439517 631527895 /nfs/dbraw/zinc/52/78/95/631527895.db2.gz FLCMNQHHVNIHCE-NXEZZACHSA-N 1 0 249.380 0.161 10 0 BCAERO CCN1CCO[C@H](C[NH2+][C@@H]2CCC[C@@H]2OC)C1 ZINC000092052577 631547246 /nfs/dbraw/zinc/54/72/46/631547246.db2.gz AGPWZHWGCSTFBL-UPJWGTAASA-N 1 0 242.363 0.864 10 0 BCAERO Cc1cc(=O)n([C@H](C)C[NH+](C)C)cc1N ZINC000725249314 631565721 /nfs/dbraw/zinc/56/57/21/631565721.db2.gz PQRUDRDWLNUARE-SECBINFHSA-N 1 0 209.293 0.862 10 0 BCAERO CN(C)c1cc(NC[C@H]2CC[NH2+]C2)ncn1 ZINC000258669373 631576537 /nfs/dbraw/zinc/57/65/37/631576537.db2.gz OGMPXTOGOBCAGO-VIFPVBQESA-N 1 0 221.308 0.564 10 0 BCAERO CCN(c1ccc(C(=O)NC)nn1)[C@@H]1CC[NH2+]C1 ZINC000095013138 631584139 /nfs/dbraw/zinc/58/41/39/631584139.db2.gz WCLGHRGMJOEKGG-SECBINFHSA-N 1 0 249.318 0.024 10 0 BCAERO C[NH2+][C@H](C)CNc1ncnc2c1CCC2 ZINC000308782821 631647371 /nfs/dbraw/zinc/64/73/71/631647371.db2.gz DKYTVRRFXUAJAJ-MRVPVSSYSA-N 1 0 206.293 0.985 10 0 BCAERO OC[C@H]1CCC[N@@H+]1C[C@H]1CCC[C@@H](O)C1 ZINC000308815110 631656139 /nfs/dbraw/zinc/65/61/39/631656139.db2.gz AVLVWBPIGZBHSX-QJPTWQEYSA-N 1 0 213.321 0.994 10 0 BCAERO C[C@H](C[NH3+])N(C)c1cc(N(C)C)ncn1 ZINC000258858738 631656843 /nfs/dbraw/zinc/65/68/43/631656843.db2.gz ZRQWFDIIBMDPAX-MRVPVSSYSA-N 1 0 209.297 0.326 10 0 BCAERO OC[C@H]1CCC[N@@H+]1C[C@@H]1CCC[C@@H](O)C1 ZINC000308815105 631657004 /nfs/dbraw/zinc/65/70/04/631657004.db2.gz AVLVWBPIGZBHSX-IJLUTSLNSA-N 1 0 213.321 0.994 10 0 BCAERO OC[C@H]1CCC[N@@H+]1C[C@H]1CCC[C@H](O)C1 ZINC000308815114 631665615 /nfs/dbraw/zinc/66/56/15/631665615.db2.gz AVLVWBPIGZBHSX-TUAOUCFPSA-N 1 0 213.321 0.994 10 0 BCAERO CC(C)[C@@H](C)NC(=O)C[NH2+]C(C)(C)CO ZINC000042237740 631724658 /nfs/dbraw/zinc/72/46/58/631724658.db2.gz ZJRNNMYIMHLGDE-SECBINFHSA-N 1 0 216.325 0.508 10 0 BCAERO Cc1csc(=O)n1CCn1cc[nH+]c1N ZINC000700261268 631729893 /nfs/dbraw/zinc/72/98/93/631729893.db2.gz QHDRPGDSTUPBGC-UHFFFAOYSA-N 1 0 224.289 0.697 10 0 BCAERO CC(C)(F)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000308999064 631785888 /nfs/dbraw/zinc/78/58/88/631785888.db2.gz QUDPWZMRTZYRFX-DJLDLDEBSA-N 1 0 214.284 0.930 10 0 BCAERO CC[NH2+][C@](C)(CCn1cc(C)cn1)C(N)=O ZINC000045436477 631837552 /nfs/dbraw/zinc/83/75/52/631837552.db2.gz XHRVYVOPKBITRU-LLVKDONJSA-N 1 0 224.308 0.435 10 0 BCAERO CC(C)(CO)[NH2+]CCOCC(F)(F)F ZINC000049310952 631874141 /nfs/dbraw/zinc/87/41/41/631874141.db2.gz YQWGVBYFZZFIEQ-UHFFFAOYSA-N 1 0 215.215 0.926 10 0 BCAERO C[C@@H](Cc1ccccc1)C(=O)NCC[NH3+] ZINC000158733929 631961975 /nfs/dbraw/zinc/96/19/75/631961975.db2.gz DPNCULIBEVCSQZ-JTQLQIEISA-N 1 0 206.289 0.940 10 0 BCAERO Cc1c[nH]nc1C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000309218185 631969379 /nfs/dbraw/zinc/96/93/79/631969379.db2.gz PUJHQPQBROBKRP-SECBINFHSA-N 1 0 222.292 0.672 10 0 BCAERO Cn1ncc(C[NH2+][C@H]2CCCC[C@@H]2CO)n1 ZINC000309302221 631993656 /nfs/dbraw/zinc/99/36/56/631993656.db2.gz YULBCIIOIGLXMD-KOLCDFICSA-N 1 0 224.308 0.456 10 0 BCAERO C[NH2+][C@H](Cn1nc(C)c(Cl)c1C)C(N)=O ZINC000050588170 632029790 /nfs/dbraw/zinc/02/97/90/632029790.db2.gz XWVPYEYOUUEGAS-SSDOTTSWSA-N 1 0 230.699 0.227 10 0 BCAERO C[NH2+][C@@H](Cn1nc(C)c(Cl)c1C)C(N)=O ZINC000050588169 632030016 /nfs/dbraw/zinc/03/00/16/632030016.db2.gz XWVPYEYOUUEGAS-ZETCQYMHSA-N 1 0 230.699 0.227 10 0 BCAERO COC(=O)CCNC(=[NH2+])NC1CCCCC1 ZINC000052046556 632055248 /nfs/dbraw/zinc/05/52/48/632055248.db2.gz RPQJKWZPMKJMLH-UHFFFAOYSA-N 1 0 227.308 0.996 10 0 BCAERO CCCN(C[C@@H](O)COC(C)C)[C@H]1CC[NH2+]C1 ZINC000249995882 635695666 /nfs/dbraw/zinc/69/56/66/635695666.db2.gz GJKYPHQEIMJSRJ-QWHCGFSZSA-N 1 0 244.379 0.846 10 0 BCAERO COC(=O)/C(C)=C/CN1C[C@H](C)[C@H]([NH+](C)C)C1 ZINC000251790097 635707028 /nfs/dbraw/zinc/70/70/28/635707028.db2.gz NJJQLHLXBALJBR-RBWIOGKGSA-N 1 0 240.347 0.988 10 0 BCAERO COC(=O)[C@@H]1C[N@H+](Cc2cnccn2)C[C@H]1C ZINC000251781135 635707453 /nfs/dbraw/zinc/70/74/53/635707453.db2.gz MYAWFSHRKUXCNJ-MWLCHTKSSA-N 1 0 235.287 0.718 10 0 BCAERO COc1cc(C)nc(N2CC[C@@H]([NH3+])[C@@H](C)C2)n1 ZINC000226625264 632410954 /nfs/dbraw/zinc/41/09/54/632410954.db2.gz NDVKJIXVQJJENX-WCBMZHEXSA-N 1 0 236.319 0.967 10 0 BCAERO CN(C)c1noc(C[C@@H]2CCC[NH2+]C2)n1 ZINC000161906436 632450478 /nfs/dbraw/zinc/45/04/78/632450478.db2.gz INEPIVLKBKMYCD-QMMMGPOBSA-N 1 0 210.281 0.678 10 0 BCAERO Cc1nnc(CNC[C@H]2CN(C)CCO2)s1 ZINC000309547886 632481512 /nfs/dbraw/zinc/48/15/12/632481512.db2.gz HISZGTMTJVOPMI-VIFPVBQESA-N 1 0 242.348 0.267 10 0 BCAERO c1cn2c(n1)CC[C@@H]([NH2+]Cc1cnc[nH]1)C2 ZINC000309543422 632481839 /nfs/dbraw/zinc/48/18/39/632481839.db2.gz GWVWQCXXFDECOH-SECBINFHSA-N 1 0 217.276 0.711 10 0 BCAERO COC(=O)C[C@H]([NH2+][C@H]1CCOC1)C1CC1 ZINC000308930818 632493332 /nfs/dbraw/zinc/49/33/32/632493332.db2.gz JNKSUGXNXZRBDZ-UWVGGRQHSA-N 1 0 213.277 0.707 10 0 BCAERO C[C@@H]1CN(c2ccnc(N(C)C)n2)[C@H](C)C[NH2+]1 ZINC000086471378 632649502 /nfs/dbraw/zinc/64/95/02/632649502.db2.gz BZJCDDQCDJVIIA-NXEZZACHSA-N 1 0 235.335 0.729 10 0 BCAERO Cc1ncn(CCC[C@](C)([NH3+])C(N)=O)c1C ZINC000051928085 632765392 /nfs/dbraw/zinc/76/53/92/632765392.db2.gz WAAGFNRRLHPUHZ-NSHDSACASA-N 1 0 224.308 0.483 10 0 BCAERO C[C@H]1CN(C[C@@H](O)c2ccccc2)C[C@@H]1[NH3+] ZINC000235658900 632808961 /nfs/dbraw/zinc/80/89/61/632808961.db2.gz NYXWZJDTZIXGLH-WCFLWFBJSA-N 1 0 220.316 0.999 10 0 BCAERO C[C@H]1CN(Cc2ncc(Cl)n2C)C[C@@H]1[NH3+] ZINC000235684681 632812996 /nfs/dbraw/zinc/81/29/96/632812996.db2.gz UQGQWIYSLOTDRG-YUMQZZPRSA-N 1 0 228.727 0.853 10 0 BCAERO COC(=O)[C@@H]1C[N@H+](Cc2cn[nH]c2)C[C@@H]1C ZINC000309339792 632949312 /nfs/dbraw/zinc/94/93/12/632949312.db2.gz WPHANGSFBMBMLK-WCBMZHEXSA-N 1 0 223.276 0.651 10 0 BCAERO OCCCCCC[NH2+]CC1(O)CCOCC1 ZINC000236495010 632950680 /nfs/dbraw/zinc/95/06/80/632950680.db2.gz WTMWPWYPLCLIBE-UHFFFAOYSA-N 1 0 231.336 0.670 10 0 BCAERO O[C@H](COCc1ccccc1)COC1C[NH2+]C1 ZINC000236569128 632994236 /nfs/dbraw/zinc/99/42/36/632994236.db2.gz PBNZJUNJEGDBCW-GFCCVEGCSA-N 1 0 237.299 0.553 10 0 BCAERO C[C@@H]([NH3+])Cc1nc(Cc2ccncc2)no1 ZINC000053129751 633006004 /nfs/dbraw/zinc/00/60/04/633006004.db2.gz LDPTUIGRBLURSA-MRVPVSSYSA-N 1 0 218.260 0.945 10 0 BCAERO CC(C)(C)[C@H](O)C[NH2+]C1CCN(C=O)CC1 ZINC000309397253 633013243 /nfs/dbraw/zinc/01/32/43/633013243.db2.gz VPWNEVPDRIXRDS-LLVKDONJSA-N 1 0 228.336 0.604 10 0 BCAERO O=S1(=O)CCCCN1[C@@H]1CCC[NH2+]C1 ZINC000162530670 633031064 /nfs/dbraw/zinc/03/10/64/633031064.db2.gz VTKYPBBSJMYKEP-SECBINFHSA-N 1 0 218.322 0.164 10 0 BCAERO CN1CCO[C@@H](C[NH2+]C2CC(C(F)F)C2)C1 ZINC000309420813 633048543 /nfs/dbraw/zinc/04/85/43/633048543.db2.gz DOYUKXMAFKFTEK-RTBKNWGFSA-N 1 0 234.290 0.950 10 0 BCAERO Cc1n[nH]cc1C(=O)N1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000311053632 633060487 /nfs/dbraw/zinc/06/04/87/633060487.db2.gz HDZFXFJKITZJMU-WDEREUQCSA-N 1 0 248.330 0.742 10 0 BCAERO CC(C)N(C)Cc1nc([C@H](C)C[NH3+])no1 ZINC000309475027 633132406 /nfs/dbraw/zinc/13/24/06/633132406.db2.gz RSLKXHYIUOGTMA-MRVPVSSYSA-N 1 0 212.297 0.972 10 0 BCAERO COC[C@@H](C)C(=O)N[C@](C)(C[NH3+])C(C)C ZINC000237158939 636011360 /nfs/dbraw/zinc/01/13/60/636011360.db2.gz FTKXMBLQMTYQSN-MWLCHTKSSA-N 1 0 216.325 0.759 10 0 BCAERO [NH3+]C[C@@H]1C[C@H](F)CN1Cc1csnn1 ZINC000307642477 635992106 /nfs/dbraw/zinc/99/21/06/635992106.db2.gz JVHDCHYLOOAKJI-XPUUQOCRSA-N 1 0 216.285 0.409 10 0 BCAERO COc1cc(C)nc(NC[C@@H]2CC[NH2+]C2)n1 ZINC000166465987 636129389 /nfs/dbraw/zinc/12/93/89/636129389.db2.gz QPIGUFLNHNTVGG-SECBINFHSA-N 1 0 222.292 0.815 10 0 BCAERO Cn1c(C[NH2+]C(C)(C)CO)nnc1C1CC1 ZINC000067486028 636139769 /nfs/dbraw/zinc/13/97/69/636139769.db2.gz HWBWYFORYOIPLX-UHFFFAOYSA-N 1 0 224.308 0.553 10 0 BCAERO CCON1CCC([NH2+][C@H](C)[C@@H](C)O)CC1 ZINC000323387937 633793850 /nfs/dbraw/zinc/79/38/50/633793850.db2.gz QWZRDCTXRCUNKJ-NXEZZACHSA-N 1 0 216.325 0.761 10 0 BCAERO COC[C@@H](C[N@@H+]1CC[C@@H](CCO)C1)OC ZINC000659952094 633927353 /nfs/dbraw/zinc/92/73/53/633927353.db2.gz GYYODJTWZXJAFT-WDEREUQCSA-N 1 0 217.309 0.352 10 0 BCAERO C[C@@H]1COCCN1C(=O)[C@H]1[NH2+]CC1(C)C ZINC000309503011 633937020 /nfs/dbraw/zinc/93/70/20/633937020.db2.gz MCSSWEMVPONHSN-RKDXNWHRSA-N 1 0 212.293 0.232 10 0 BCAERO O=C1NCCC[C@H]1[NH2+]Cc1ccc(F)nc1 ZINC000309550805 633952531 /nfs/dbraw/zinc/95/25/31/633952531.db2.gz FWJMTZJMEJNOTI-SECBINFHSA-N 1 0 223.251 0.589 10 0 BCAERO CO[C@@H]1C[C@@H](CO)[N@H+](CCCCCCO)C1 ZINC000309770429 634003062 /nfs/dbraw/zinc/00/30/62/634003062.db2.gz OMDINPPRZPRCOK-NWDGAFQWSA-N 1 0 231.336 0.621 10 0 BCAERO CC(C)OC(=O)CNC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000312263731 634005829 /nfs/dbraw/zinc/00/58/29/634005829.db2.gz QBULNNJRLLLUAR-NXEZZACHSA-N 1 0 242.319 0.429 10 0 BCAERO CC(C)OC(=O)CNC(=O)[C@H]1CCC[NH2+][C@H]1C ZINC000312262770 634006566 /nfs/dbraw/zinc/00/65/66/634006566.db2.gz AGXFXMBTCCUVDN-UWVGGRQHSA-N 1 0 242.319 0.442 10 0 BCAERO CN(C(=O)C[NH2+]C(C)(C)CO)c1nccs1 ZINC000309982796 634024615 /nfs/dbraw/zinc/02/46/15/634024615.db2.gz WZNBQOHNNFXEJU-UHFFFAOYSA-N 1 0 243.332 0.466 10 0 BCAERO CN(CC[NH3+])c1nnnn1-c1ccccc1 ZINC000053663558 634291509 /nfs/dbraw/zinc/29/15/09/634291509.db2.gz CFCYDIZMOHYCTC-UHFFFAOYSA-N 1 0 218.264 0.057 10 0 BCAERO CN(C)S(=O)(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000075417012 634307087 /nfs/dbraw/zinc/30/70/87/634307087.db2.gz FNTDKWXUYVRIGJ-SNVBAGLBSA-N 1 0 228.317 0.578 10 0 BCAERO C[NH2+][C@@H]1CCN(c2cc(N(C)C)ncn2)C1 ZINC000258600975 635171455 /nfs/dbraw/zinc/17/14/55/635171455.db2.gz BCZRDWFESNDNGR-SECBINFHSA-N 1 0 221.308 0.341 10 0 BCAERO [NH3+]C1CC(C(=O)NCCc2cccnc2)C1 ZINC000258618608 635177877 /nfs/dbraw/zinc/17/78/77/635177877.db2.gz BPNGTEBALSEYDX-UHFFFAOYSA-N 1 0 219.288 0.478 10 0 BCAERO CC(C)OCCNC(=O)[C@H]1CCC[NH2+][C@H]1C ZINC000159233200 635187525 /nfs/dbraw/zinc/18/75/25/635187525.db2.gz OPTPIMVKCNQBKS-QWRGUYRKSA-N 1 0 228.336 0.916 10 0 BCAERO O=C(C[C@@H]1CC[NH2+]C1)NC[C@H](O)C(F)(F)F ZINC000230946987 635261234 /nfs/dbraw/zinc/26/12/34/635261234.db2.gz LZBNTONBSOOQRS-BQBZGAKWSA-N 1 0 240.225 0.025 10 0 BCAERO CCCn1cc(NC(=O)[C@@H](C)[NH2+]C)ccc1=O ZINC000054074565 635344467 /nfs/dbraw/zinc/34/44/67/635344467.db2.gz RKFWFQVNXUCORI-SECBINFHSA-N 1 0 237.303 0.805 10 0 BCAERO C[NH2+][C@H](C)C(=O)NCC(=O)NCc1ccccc1 ZINC000054075614 635345979 /nfs/dbraw/zinc/34/59/79/635345979.db2.gz PLUQNYKAXSQOOL-SNVBAGLBSA-N 1 0 249.314 0.027 10 0 BCAERO COC(=O)N[C@@H](C(=O)NCC[C@@H](C)[NH3+])C(C)C ZINC000178619754 635619148 /nfs/dbraw/zinc/61/91/48/635619148.db2.gz SIVNSWBGCWVHOZ-RKDXNWHRSA-N 1 0 245.323 0.221 10 0 BCAERO COC[C@@H](C)C(=O)N[C@@](C)(C[NH3+])C1CC1 ZINC000237158158 636009955 /nfs/dbraw/zinc/00/99/55/636009955.db2.gz OOPHATGBKWZHGX-KCJUWKMLSA-N 1 0 214.309 0.513 10 0 BCAERO CNC(=O)c1ccc(N2CC[C@@H](CC[NH3+])C2)nn1 ZINC000125453092 636024336 /nfs/dbraw/zinc/02/43/36/636024336.db2.gz FFPQEWDXAFAGFX-SECBINFHSA-N 1 0 249.318 0.011 10 0 BCAERO COC[C@H](C)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000237231124 636067143 /nfs/dbraw/zinc/06/71/43/636067143.db2.gz RFXBHXQFVJNILX-UWVGGRQHSA-N 1 0 214.309 0.466 10 0 BCAERO c1nc(-c2noc(C[C@H]3CCC[NH2+]C3)n2)n[nH]1 ZINC000054301311 636348534 /nfs/dbraw/zinc/34/85/34/636348534.db2.gz GLDWNWZMCUDPCT-SSDOTTSWSA-N 1 0 234.263 0.397 10 0 BCAERO CC(C)(C)OC(=O)N1CCO[C@@](C)(C[NH3+])C1 ZINC000669371643 636545804 /nfs/dbraw/zinc/54/58/04/636545804.db2.gz MYIPIPRNKXZSDL-NSHDSACASA-N 1 0 230.308 0.971 10 0 BCAERO [NH3+]C1CCN(CCNc2ncc(F)cn2)CC1 ZINC000321608527 636663434 /nfs/dbraw/zinc/66/34/34/636663434.db2.gz UWOXXDLYQCPZJV-UHFFFAOYSA-N 1 0 239.298 0.451 10 0 BCAERO C[C@@H]([NH2+]C(C)(C)CO)C(=O)N1CCCCC1 ZINC000035101991 636741220 /nfs/dbraw/zinc/74/12/20/636741220.db2.gz JJNURXCPJUIUJB-SNVBAGLBSA-N 1 0 228.336 0.748 10 0 BCAERO CCC[C@H](C(=O)NCC1(C)OCCO1)[NH+](C)C ZINC000179202033 636758534 /nfs/dbraw/zinc/75/85/34/636758534.db2.gz OJOZPASXORDAIJ-SNVBAGLBSA-N 1 0 244.335 0.596 10 0 BCAERO CC[C@@](C)(C[NH2+]CCn1cncn1)OC ZINC000322614944 636874607 /nfs/dbraw/zinc/87/46/07/636874607.db2.gz LYCXJKRNVSVPNX-JTQLQIEISA-N 1 0 212.297 0.683 10 0 BCAERO CON1CCC([NH2+][C@@H]2CCO[C@H]2C)CC1 ZINC000323138132 636902684 /nfs/dbraw/zinc/90/26/84/636902684.db2.gz WIVVDAOXFRXBQR-GXSJLCMTSA-N 1 0 214.309 0.779 10 0 BCAERO CC(C)C[C@@H]([NH3+])C(=O)N[C@@H]1CCC[C@@H](O)C1 ZINC000163545258 636987617 /nfs/dbraw/zinc/98/76/17/636987617.db2.gz XAKHLWNNBCWYLO-GMTAPVOTSA-N 1 0 228.336 0.780 10 0 BCAERO C[C@@H](O)[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC000346375470 637095087 /nfs/dbraw/zinc/09/50/87/637095087.db2.gz KMRUOTGVTMYRKN-DTWKUNHWSA-N 1 0 214.309 0.214 10 0 BCAERO CN(C[C@H]1CCCO1)C1(C[NH3+])CCOCC1 ZINC000042463524 637264502 /nfs/dbraw/zinc/26/45/02/637264502.db2.gz ZVPQSGZSZOVDSG-LLVKDONJSA-N 1 0 228.336 0.605 10 0 BCAERO CSCC[C@@H]([NH3+])C(=O)N[C@@H](C)[C@@H]1CCCO1 ZINC000163584013 639213777 /nfs/dbraw/zinc/21/37/77/639213777.db2.gz SNCFIPINCWVTDM-AEJSXWLSSA-N 1 0 246.376 0.751 10 0 BCAERO CO[C@H]1C[C@@H](CO)[N@H+](CCOC2CC2)C1 ZINC000711788269 711467301 /nfs/dbraw/zinc/46/73/01/711467301.db2.gz WLUASJSGALLKKD-ONGXEEELSA-N 1 0 215.293 0.247 10 0 BCAERO C[NH+](C)[C@@H]1CCN(c2cc(F)ncn2)C1 ZINC000150079720 639298986 /nfs/dbraw/zinc/29/89/86/639298986.db2.gz QNPUKNQSDMFGHI-MRVPVSSYSA-N 1 0 210.256 0.756 10 0 BCAERO CN1C[C@H](C[NH2+]Cc2ccoc2)CC1=O ZINC000722750417 711469961 /nfs/dbraw/zinc/46/99/61/711469961.db2.gz CLVLHNPQRSHKGK-JTQLQIEISA-N 1 0 208.261 0.848 10 0 BCAERO CCc1nc([C@H]([NH3+])Cc2c[nH]cn2)n(C)n1 ZINC000054697008 640305244 /nfs/dbraw/zinc/30/52/44/640305244.db2.gz QNCMLWOJGFMEJV-MRVPVSSYSA-N 1 0 220.280 0.343 10 0 BCAERO CO[C@H]1C[NH2+][C@@H](c2nc(C(C)C)nn2C)C1 ZINC000054697856 640306206 /nfs/dbraw/zinc/30/62/06/640306206.db2.gz CRJYDZXQWYBBME-RKDXNWHRSA-N 1 0 224.308 0.988 10 0 BCAERO Cn1nc(C2CCCC2)nc1[C@@H]([NH3+])CO ZINC000054699216 640320452 /nfs/dbraw/zinc/32/04/52/640320452.db2.gz SBJAJYNTWCCALB-QMMMGPOBSA-N 1 0 210.281 0.465 10 0 BCAERO Cn1nc(-c2cccs2)nc1[C@H]([NH3+])CO ZINC000054699821 640322037 /nfs/dbraw/zinc/32/20/37/640322037.db2.gz GFSRRKHWNDMWBU-ZCFIWIBFSA-N 1 0 224.289 0.536 10 0 BCAERO C[NH2+]CCNC(=O)[C@@H](CC(C)C)NC(=O)OC ZINC000151246494 640348686 /nfs/dbraw/zinc/34/86/86/640348686.db2.gz WAOSBILXPUGUCO-SECBINFHSA-N 1 0 245.323 0.093 10 0 BCAERO C[C@H](C[NH2+]Cc1cnc[nH]1)N1CCOCC1 ZINC000163786375 640419615 /nfs/dbraw/zinc/41/96/15/640419615.db2.gz PZIMCQFYBVIZMT-SNVBAGLBSA-N 1 0 224.308 0.220 10 0 BCAERO C[C@@H](O)CCNC(=O)C[C@@H]([NH3+])C(C)(C)C ZINC000129555114 640432204 /nfs/dbraw/zinc/43/22/04/640432204.db2.gz VNYHCUYFQNGLRU-RKDXNWHRSA-N 1 0 216.325 0.637 10 0 BCAERO CC[NH2+]CC(=O)N[C@@H]1CCC[C@H](O)C1 ZINC000044647610 640445098 /nfs/dbraw/zinc/44/50/98/640445098.db2.gz MNUDUUQRFIKRJG-BDAKNGLRSA-N 1 0 200.282 0.016 10 0 BCAERO CCN(c1nc(C)cc(OC)n1)[C@H]1CC[NH2+]C1 ZINC000164177790 640455432 /nfs/dbraw/zinc/45/54/32/640455432.db2.gz GUNKUAJDWPGLIL-JTQLQIEISA-N 1 0 236.319 0.982 10 0 BCAERO CNC(=O)CC[NH2+]CCc1ccccc1 ZINC000044987855 640478975 /nfs/dbraw/zinc/47/89/75/640478975.db2.gz NPDJGHFBRPNNAL-UHFFFAOYSA-N 1 0 206.289 0.955 10 0 BCAERO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1c1ccnn1C ZINC000164781154 640505627 /nfs/dbraw/zinc/50/56/27/640505627.db2.gz LGKXENNVBBBGPA-RKDXNWHRSA-N 1 0 223.276 0.286 10 0 BCAERO COC(=O)[C@@](C)([NH3+])CCn1nc(C)cc1C ZINC000045433819 640556770 /nfs/dbraw/zinc/55/67/70/640556770.db2.gz VFTHGBJAQVVDJE-NSHDSACASA-N 1 0 225.292 0.780 10 0 BCAERO CCc1nccn1C[C@@H]([NH2+]C1CC1)C(N)=O ZINC000045460246 640566062 /nfs/dbraw/zinc/56/60/62/640566062.db2.gz ZTPKZMNKYUIZFZ-SECBINFHSA-N 1 0 222.292 0.051 10 0 BCAERO COc1cc(C)nc(N(C)[C@@H]2CC[NH2+]C2)n1 ZINC000166461239 640642991 /nfs/dbraw/zinc/64/29/91/640642991.db2.gz TVKQUVVIKAPQEA-SECBINFHSA-N 1 0 222.292 0.592 10 0 BCAERO COc1cc(C)nc(NC[C@@H]2CCC[NH2+]2)n1 ZINC000166458762 640643085 /nfs/dbraw/zinc/64/30/85/640643085.db2.gz XJSZHENNINMVIG-VIFPVBQESA-N 1 0 222.292 0.958 10 0 BCAERO CC(=O)[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N(C)C)C1 ZINC000224871475 640644536 /nfs/dbraw/zinc/64/45/36/640644536.db2.gz YYHPCZOEADTBQI-GXSJLCMTSA-N 1 0 226.320 0.764 10 0 BCAERO CCOC(=O)[C@H]1C[NH2+]C[C@H]1c1cncn1CC ZINC000166554671 640647979 /nfs/dbraw/zinc/64/79/79/640647979.db2.gz OKFFDFDCHFHMOT-ZJUUUORDSA-N 1 0 237.303 0.769 10 0 BCAERO C[NH2+]CCc1noc(CC[C@@H](C)OC)n1 ZINC000166805452 640678284 /nfs/dbraw/zinc/67/82/84/640678284.db2.gz RZUWJKVVRFELRB-MRVPVSSYSA-N 1 0 213.281 0.799 10 0 BCAERO CC(C)OC[C@@H](O)CN1CCC[C@@H]([NH3+])C1 ZINC000226126944 640733259 /nfs/dbraw/zinc/73/32/59/640733259.db2.gz PEPOOVZWMYRASV-MNOVXSKESA-N 1 0 216.325 0.195 10 0 BCAERO Cc1cc(=O)c(C(=O)N[C@H]2CCC[C@@H]2C[NH3+])c[nH]1 ZINC000226270129 640745984 /nfs/dbraw/zinc/74/59/84/640745984.db2.gz KMYCVGRAGJWRAX-KOLCDFICSA-N 1 0 249.314 0.541 10 0 BCAERO CC(C)[C@@H](NC(=O)[C@@H]1CCC[C@@H]([NH3+])C1)C(N)=O ZINC000226337198 640750068 /nfs/dbraw/zinc/75/00/68/640750068.db2.gz NSLFUHVLIRDKDU-OPRDCNLKSA-N 1 0 241.335 0.130 10 0 BCAERO CC(C)[C@H](NC(=O)[C@H]1CCC[C@@H]([NH3+])C1)C(N)=O ZINC000226337214 640750543 /nfs/dbraw/zinc/75/05/43/640750543.db2.gz NSLFUHVLIRDKDU-AEJSXWLSSA-N 1 0 241.335 0.130 10 0 BCAERO CS[C@@H]1CC[C@@H](NC(=O)[C@@H]2CC[NH2+]C2)C1 ZINC000226375420 640756011 /nfs/dbraw/zinc/75/60/11/640756011.db2.gz LSWAJKOINXGWFU-OPRDCNLKSA-N 1 0 228.361 0.996 10 0 BCAERO CCN1CCO[C@@H](CNC(=[NH2+])NC(C)(C)C)C1 ZINC000226758110 640792410 /nfs/dbraw/zinc/79/24/10/640792410.db2.gz ZLZMJLGJTBFTCI-JTQLQIEISA-N 1 0 242.367 0.620 10 0 BCAERO COc1cc(N2CC[C@@H]([NH3+])[C@@H](C)C2)ncn1 ZINC000227076977 640813141 /nfs/dbraw/zinc/81/31/41/640813141.db2.gz FXMXHQWOHRKHEA-DTWKUNHWSA-N 1 0 222.292 0.659 10 0 BCAERO O=C(NC[C@@H]1CSCCS1)[C@@H]1CC[NH2+]C1 ZINC000158192243 640819359 /nfs/dbraw/zinc/81/93/59/640819359.db2.gz BJVGHAPZEOKARU-RKDXNWHRSA-N 1 0 246.401 0.561 10 0 BCAERO COC(CN1C[C@@H](C)[C@H]([NH+](C)C)C1)OC ZINC000227231750 640820778 /nfs/dbraw/zinc/82/07/78/640820778.db2.gz QAIIIWLZVCTJAU-NXEZZACHSA-N 1 0 216.325 0.487 10 0 BCAERO Cc1nnc2c(NC[C@@H]3CC[C@H]([NH3+])C3)nccn12 ZINC000227642809 640843307 /nfs/dbraw/zinc/84/33/07/640843307.db2.gz ISJPPNGBFORDRH-ZJUUUORDSA-N 1 0 246.318 0.972 10 0 BCAERO CNC(=O)c1ccc(NC[C@@H]2CC[C@H]([NH3+])C2)nn1 ZINC000227648660 640843331 /nfs/dbraw/zinc/84/33/31/640843331.db2.gz WTQNJLCXBLPYFL-BDAKNGLRSA-N 1 0 249.318 0.376 10 0 BCAERO COC(=O)[C@@H]1C[N@H+](Cc2cccnc2N)C[C@@H]1C ZINC000227836139 640850756 /nfs/dbraw/zinc/85/07/56/640850756.db2.gz AHBNZANRWMILKZ-GXSJLCMTSA-N 1 0 249.314 0.905 10 0 BCAERO CCCCOC[C@H](O)CN1CCC[C@@H]([NH2+]C)C1 ZINC000227883225 640852515 /nfs/dbraw/zinc/85/25/15/640852515.db2.gz KQLFHJJYTLEPQY-CHWSQXEVSA-N 1 0 244.379 0.848 10 0 BCAERO CCCCOC[C@@H](O)C[N@@H+]1CCN(C)[C@@H](C)C1 ZINC000227906952 640852533 /nfs/dbraw/zinc/85/25/33/640852533.db2.gz KNKOQNVTTNJTNC-STQMWFEESA-N 1 0 244.379 0.800 10 0 BCAERO CCCCOC[C@H](O)C[NH2+]CC[S@@](C)=O ZINC000227896592 640852748 /nfs/dbraw/zinc/85/27/48/640852748.db2.gz WKIHXSPOEIGQOI-MEBBXXQBSA-N 1 0 237.365 0.132 10 0 BCAERO CCCCOC[C@H](O)C[N@@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000227910426 640853433 /nfs/dbraw/zinc/85/34/33/640853433.db2.gz BKFHEQHVSJSWIK-QWHCGFSZSA-N 1 0 244.379 0.705 10 0 BCAERO CCCCOC[C@@H](O)CN1CC[NH2+][C@@H](C)C1 ZINC000227910763 640853656 /nfs/dbraw/zinc/85/36/56/640853656.db2.gz SSVZBARFSIPJJF-RYUDHWBXSA-N 1 0 230.352 0.458 10 0 BCAERO CCCCOC[C@@H](O)CN(CC)[C@@H]1CC[NH2+]C1 ZINC000227910454 640854261 /nfs/dbraw/zinc/85/42/61/640854261.db2.gz UHWZSAHACBUCBP-OLZOCXBDSA-N 1 0 244.379 0.848 10 0 BCAERO Cc1nsc(N2CCO[C@H]([C@H](C)[NH3+])C2)n1 ZINC000228377073 640872807 /nfs/dbraw/zinc/87/28/07/640872807.db2.gz TUXQYNURPCFBLE-XPUUQOCRSA-N 1 0 228.321 0.399 10 0 BCAERO COC(=O)C[C@@H]([NH3+])c1cccc(OC)n1 ZINC000228854953 640900512 /nfs/dbraw/zinc/90/05/12/640900512.db2.gz SZZMDXXVYVSTSB-SSDOTTSWSA-N 1 0 210.233 0.653 10 0 BCAERO CCn1cncc1[C@@H]1C[NH2+]C[C@H]1C(=O)OC ZINC000229206628 640932318 /nfs/dbraw/zinc/93/23/18/640932318.db2.gz DKTXVAMLOMJJND-RKDXNWHRSA-N 1 0 223.276 0.379 10 0 BCAERO CCOC(=O)[C@H]1C[NH2+]C[C@H]1C1CCOCC1 ZINC000229222778 640933703 /nfs/dbraw/zinc/93/37/03/640933703.db2.gz OBRBLOHTGVNYMY-QWRGUYRKSA-N 1 0 227.304 0.812 10 0 BCAERO CCOC(=O)[C@@H]1C[NH2+]C[C@@H]1c1cccnc1 ZINC000229217106 640934214 /nfs/dbraw/zinc/93/42/14/640934214.db2.gz KZOXUQMZCHHBDM-GHMZBOCLSA-N 1 0 220.272 0.948 10 0 BCAERO CCOC(=O)/C=C/C[NH2+][C@@H](C)COC ZINC000087638348 640952028 /nfs/dbraw/zinc/95/20/28/640952028.db2.gz BGCFGYVBMWWGKK-CYNONHLPSA-N 1 0 201.266 0.730 10 0 BCAERO [NH3+]C[C@H]1CCC[C@H]1NC(=O)[C@@H]1CCOC1 ZINC000061883832 641002767 /nfs/dbraw/zinc/00/27/67/641002767.db2.gz ZUHXPOLQFMUNPX-OPRDCNLKSA-N 1 0 212.293 0.267 10 0 BCAERO C[NH+](C)[C@H]1CCN(c2cnc(CO)cn2)C1 ZINC000230081737 641018702 /nfs/dbraw/zinc/01/87/02/641018702.db2.gz FCBHVGBCKXAZNZ-JTQLQIEISA-N 1 0 222.292 0.109 10 0 BCAERO C[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@@H](O)C(F)(F)F ZINC000230190491 641035542 /nfs/dbraw/zinc/03/55/42/641035542.db2.gz CNVQDFHMHQKZIG-RRKCRQDMSA-N 1 0 240.225 0.024 10 0 BCAERO CC[N@H+](CCO)C[C@H](O)c1cccnc1 ZINC000062355424 641042302 /nfs/dbraw/zinc/04/23/02/641042302.db2.gz GKTPWBIMRTWNQR-NSHDSACASA-N 1 0 210.277 0.429 10 0 BCAERO COC(=O)[C@H]([NH3+])CCn1ccnc1C(C)C ZINC000062534543 641058028 /nfs/dbraw/zinc/05/80/28/641058028.db2.gz ZXCANVMVTWUNMP-SECBINFHSA-N 1 0 225.292 0.897 10 0 BCAERO C[NH2+][C@@H](CCn1ccnc1C(C)C)C(N)=O ZINC000062534495 641058217 /nfs/dbraw/zinc/05/82/17/641058217.db2.gz ZTAWLSXYQWMUOX-VIFPVBQESA-N 1 0 224.308 0.470 10 0 BCAERO CC(C)[NH2+][C@H](CCn1ccnc1)C(N)=O ZINC000062534979 641058521 /nfs/dbraw/zinc/05/85/21/641058521.db2.gz CNWKNSYPTFEOHU-SECBINFHSA-N 1 0 210.281 0.125 10 0 BCAERO S=C1OCCN1CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000172503442 641069733 /nfs/dbraw/zinc/06/97/33/641069733.db2.gz PTMOXKLMEHDBKJ-SNVBAGLBSA-N 1 0 241.360 0.341 10 0 BCAERO CC[C@@H](C)NC(=O)[C@@H](C)OC1C[NH2+]C1 ZINC000062809781 641093434 /nfs/dbraw/zinc/09/34/34/641093434.db2.gz HOHBQNQPHBQNCP-HTQZYQBOSA-N 1 0 200.282 0.278 10 0 BCAERO NC(=O)c1ccccc1COC1C[NH2+]C1 ZINC000062809868 641095585 /nfs/dbraw/zinc/09/55/85/641095585.db2.gz VFMCSEBVTCFQOM-UHFFFAOYSA-N 1 0 206.245 0.274 10 0 BCAERO CCS(=O)(=O)CC[NH2+][C@@H]1CCCC[C@@H]1CO ZINC000231312615 641155034 /nfs/dbraw/zinc/15/50/34/641155034.db2.gz HXMKEUKIWBGLND-GHMZBOCLSA-N 1 0 249.376 0.562 10 0 BCAERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1cnc(N)cn1 ZINC000231301117 641159710 /nfs/dbraw/zinc/15/97/10/641159710.db2.gz FPMBNYXNNKROMA-GFCCVEGCSA-N 1 0 249.362 0.975 10 0 BCAERO CN(Cc1cncn1C)[C@H]1CCC[NH2+]CC1 ZINC000231463884 641175461 /nfs/dbraw/zinc/17/54/61/641175461.db2.gz NCTUCMAKXGJLHR-NSHDSACASA-N 1 0 222.336 0.994 10 0 BCAERO CCS(=O)(=O)CCN(C)[C@H]1CCC[NH2+]CC1 ZINC000231669797 641191817 /nfs/dbraw/zinc/19/18/17/641191817.db2.gz QNUKWAJHQGCPBE-NSHDSACASA-N 1 0 248.392 0.495 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N[C@H](C)c1cccs1 ZINC000088002835 641222979 /nfs/dbraw/zinc/22/29/79/641222979.db2.gz HBWBNDQVZFRIIX-HTQZYQBOSA-N 1 0 228.317 0.899 10 0 BCAERO CO[C@@H](C[NH3+])CC(=O)N[C@H](C)C(C)C ZINC000232111837 641247372 /nfs/dbraw/zinc/24/73/72/641247372.db2.gz NWVYEGIWZAREMO-RKDXNWHRSA-N 1 0 202.298 0.511 10 0 BCAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)NCc1ccon1 ZINC000088053047 641284067 /nfs/dbraw/zinc/28/40/67/641284067.db2.gz PQXBEQDHDKUXBE-PSASIEDQSA-N 1 0 223.276 0.666 10 0 BCAERO C[NH+](C)[C@H]1CCN(C(=O)C2=CCCCO2)C1 ZINC000174583849 641306642 /nfs/dbraw/zinc/30/66/42/641306642.db2.gz DUYVRANYSYNDSQ-JTQLQIEISA-N 1 0 224.304 0.843 10 0 BCAERO COc1cccc2c1OCC[NH2+][C@H]2CO ZINC000675074303 641324458 /nfs/dbraw/zinc/32/44/58/641324458.db2.gz TWRYIDLPQQMYSC-VIFPVBQESA-N 1 0 209.245 0.711 10 0 BCAERO COc1cccc2c1OCC[NH2+][C@@H]2CO ZINC000675074300 641324707 /nfs/dbraw/zinc/32/47/07/641324707.db2.gz TWRYIDLPQQMYSC-SECBINFHSA-N 1 0 209.245 0.711 10 0 BCAERO CCOC(=O)c1cnc(C2([NH3+])CCC2)nc1 ZINC000675074463 641325488 /nfs/dbraw/zinc/32/54/88/641325488.db2.gz XVDRQHKTXNINSN-UHFFFAOYSA-N 1 0 221.260 0.991 10 0 BCAERO C[C@H]1CN(C(=O)C[C@@H]2CC[NH2+]C2)C[C@H](C)O1 ZINC000084381394 641354727 /nfs/dbraw/zinc/35/47/27/641354727.db2.gz XYFNHXPTQZINTH-DCAQKATOSA-N 1 0 226.320 0.622 10 0 BCAERO COCC1CC(NC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000713930731 711500261 /nfs/dbraw/zinc/50/02/61/711500261.db2.gz MWVNTMDRDHIFNZ-UDNWOFFPSA-N 1 0 212.293 0.280 10 0 BCAERO CN1CCO[C@H](C[NH2+][C@@H]2COCC2(C)C)C1 ZINC000313091768 641533055 /nfs/dbraw/zinc/53/30/55/641533055.db2.gz UGGGUIUGNGKWIP-GHMZBOCLSA-N 1 0 228.336 0.332 10 0 BCAERO Cn1nccc1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040740417 641534788 /nfs/dbraw/zinc/53/47/88/641534788.db2.gz OUVWRAHFIPXGTA-ULKQDVFKSA-N 1 0 234.303 0.433 10 0 BCAERO NC(=O)[C@@H]([NH3+])CCSC(F)(F)F ZINC000043153882 641559875 /nfs/dbraw/zinc/55/98/75/641559875.db2.gz HRHWSBMHGZSXBR-VKHMYHEASA-N 1 0 202.201 0.442 10 0 BCAERO CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(N)cn2)C1 ZINC000156823254 641609773 /nfs/dbraw/zinc/60/97/73/641609773.db2.gz LIOFJCSVSCXTHT-LLVKDONJSA-N 1 0 248.330 0.878 10 0 BCAERO CCC[NH2+][C@@](C)(CCn1cccn1)C(N)=O ZINC000045435253 641612781 /nfs/dbraw/zinc/61/27/81/641612781.db2.gz LXPWKVFDYWFRLM-NSHDSACASA-N 1 0 224.308 0.517 10 0 BCAERO COC(=O)[C@@](C)([NH3+])CCCn1cc(C)cn1 ZINC000045436089 641613273 /nfs/dbraw/zinc/61/32/73/641613273.db2.gz VKTZUKKKTYCJOL-NSHDSACASA-N 1 0 225.292 0.862 10 0 BCAERO CCS(=O)(=O)c1ccc(NCC[NH3+])cc1 ZINC000035348210 641630833 /nfs/dbraw/zinc/63/08/33/641630833.db2.gz KPRGUQYXEVNYIC-UHFFFAOYSA-N 1 0 228.317 0.851 10 0 BCAERO Cc1nnc(NC[C@@H]2CC[NH2+]C2)nc1C ZINC000158983117 641659357 /nfs/dbraw/zinc/65/93/57/641659357.db2.gz QCKUNMXDVMWVTR-SECBINFHSA-N 1 0 207.281 0.510 10 0 BCAERO C[C@@H]1CN(C(=O)[C@@H]2CCCC[C@@H]2C[NH3+])CCO1 ZINC000089385543 641674210 /nfs/dbraw/zinc/67/42/10/641674210.db2.gz OZUANQXPFUPKCG-IJLUTSLNSA-N 1 0 240.347 0.999 10 0 BCAERO O[C@@H](C[NH2+]C[C@H]1CCCO1)c1cccnc1 ZINC000032014237 641711065 /nfs/dbraw/zinc/71/10/65/641711065.db2.gz QZOCTWHKAWWFQB-NEPJUHHUSA-N 1 0 222.288 0.884 10 0 BCAERO CC[N@@H+]1CCC[C@@H](NC(=O)n2ccnc2)C1 ZINC000049223502 641712620 /nfs/dbraw/zinc/71/26/20/641712620.db2.gz DMKNGXGNHHEZTQ-SNVBAGLBSA-N 1 0 222.292 0.925 10 0 BCAERO CC[NH+]1CCN(C[C@H](O)c2cccnc2)CC1 ZINC000032089988 641737059 /nfs/dbraw/zinc/73/70/59/641737059.db2.gz WGPQIAWDMKYEFF-ZDUSSCGKSA-N 1 0 235.331 0.753 10 0 BCAERO CC(C)(C)[C@@H](O)CNC(=O)[C@@H]([NH3+])CC1CC1 ZINC000324381336 641790174 /nfs/dbraw/zinc/79/01/74/641790174.db2.gz WNCVLVZAOFBBKP-UWVGGRQHSA-N 1 0 228.336 0.637 10 0 BCAERO CC(C)(C)[C@@H](O)CNC(=O)C[C@@H]([NH3+])C1CC1 ZINC000324392831 641792257 /nfs/dbraw/zinc/79/22/57/641792257.db2.gz ZFJZHUNAXIQYHW-ZJUUUORDSA-N 1 0 228.336 0.637 10 0 BCAERO CN1C[C@@H](CC[NH2+]C[C@@H](O)C(C)(C)C)CC1=O ZINC000723396675 711510303 /nfs/dbraw/zinc/51/03/03/711510303.db2.gz JEWFERYABOXFNE-WDEREUQCSA-N 1 0 242.363 0.851 10 0 BCAERO CCCOC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](CO)C1 ZINC000190859552 641890856 /nfs/dbraw/zinc/89/08/56/641890856.db2.gz NKJICKMYQLPACV-MXWKQRLJSA-N 1 0 229.320 0.888 10 0 BCAERO CCCS(=O)(=O)CC[N@@H+]1C[C@@H](C)[C@H](CO)C1 ZINC000190837859 641892101 /nfs/dbraw/zinc/89/21/01/641892101.db2.gz ZELFBJPZCOTVLO-MNOVXSKESA-N 1 0 249.376 0.371 10 0 BCAERO CC1(C)C[C@@H]1c1noc([C@H]2C[C@@H](O)C[NH2+]2)n1 ZINC000232886986 642150398 /nfs/dbraw/zinc/15/03/98/642150398.db2.gz JNMWIQCVVZEOBS-BWZBUEFSSA-N 1 0 223.276 0.978 10 0 BCAERO CC[C@H]([NH2+][C@@H]1CS(=O)(=O)C[C@H]1O)C1CCC1 ZINC000324748319 642162820 /nfs/dbraw/zinc/16/28/20/642162820.db2.gz RAQWPBSJTSOCSJ-HBNTYKKESA-N 1 0 247.360 0.313 10 0 BCAERO CC(C)(CO)[NH2+]C[C@H](O)CC(F)(F)F ZINC000307952957 642310208 /nfs/dbraw/zinc/31/02/08/642310208.db2.gz WUWPTXCLDSFPNM-ZCFIWIBFSA-N 1 0 215.215 0.660 10 0 BCAERO Cn1ccsc1=NC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000255778729 642447986 /nfs/dbraw/zinc/44/79/86/642447986.db2.gz SZHBMSZDUWFNPO-YUMQZZPRSA-N 1 0 225.317 0.641 10 0 BCAERO C[C@H]([NH2+]CC[S@](C)=O)[C@H]1CCCO1 ZINC000308183658 642480813 /nfs/dbraw/zinc/48/08/13/642480813.db2.gz DUSAQARPLSCXQT-RWEMILLDSA-N 1 0 205.323 0.522 10 0 BCAERO C[C@H]([NH2+]CC[S@@](C)=O)[C@H]1CCCO1 ZINC000308183653 642479930 /nfs/dbraw/zinc/47/99/30/642479930.db2.gz DUSAQARPLSCXQT-IGJMFERPSA-N 1 0 205.323 0.522 10 0 BCAERO CCCCOC(=O)CN1C[C@H]([NH3+])[C@@H](C)C1 ZINC000233059958 642648123 /nfs/dbraw/zinc/64/81/23/642648123.db2.gz WPGJSVJIRXUKHL-UWVGGRQHSA-N 1 0 214.309 0.609 10 0 BCAERO CCC[C@@H](OC1C[NH2+]C1)C(=O)OCC ZINC000233299153 642659074 /nfs/dbraw/zinc/65/90/74/642659074.db2.gz MXWLDYAQXKSPAR-SECBINFHSA-N 1 0 201.266 0.707 10 0 BCAERO C[NH+](C)[C@H]1CCN(CN2CCSC2=S)C1 ZINC000170842837 642696177 /nfs/dbraw/zinc/69/61/77/642696177.db2.gz ZAVWKBVVNXSTFQ-VIFPVBQESA-N 1 0 245.417 0.914 10 0 BCAERO C[C@H]1C[C@@H]1C(=O)N1C[C@@H](F)C[C@H]1C[NH3+] ZINC000306431318 642743958 /nfs/dbraw/zinc/74/39/58/642743958.db2.gz RGGZCXDPQFDIFH-JBDRJPRFSA-N 1 0 200.257 0.540 10 0 BCAERO [NH3+]C[C@H]1CCC[C@H]1NC(=O)COCC1CC1 ZINC000237818682 642748429 /nfs/dbraw/zinc/74/84/29/642748429.db2.gz MJMZBWAJJOATRI-GHMZBOCLSA-N 1 0 226.320 0.657 10 0 BCAERO Cc1cc(C)n(C[C@@]([NH3+])(C(N)=O)C2CC2)n1 ZINC000068943114 642811943 /nfs/dbraw/zinc/81/19/43/642811943.db2.gz UOYPQMIWDRQQGF-NSHDSACASA-N 1 0 222.292 0.093 10 0 BCAERO CCOC(=O)[C@H](N)CCc1ccncc1 ZINC000069553679 642877183 /nfs/dbraw/zinc/87/71/83/642877183.db2.gz JHIKUUJJSIPFSN-SNVBAGLBSA-N 1 0 208.261 0.905 10 0 BCAERO CC(C)OC[C@@H](O)CN1CCCC[C@@H]1C[NH3+] ZINC000069660944 642892582 /nfs/dbraw/zinc/89/25/82/642892582.db2.gz VLLTVPLBAPBCFU-NEPJUHHUSA-N 1 0 230.352 0.586 10 0 BCAERO CC(C)OC[C@@H](O)CN1[C@H](C)C[NH2+]C[C@@H]1C ZINC000069661026 642893540 /nfs/dbraw/zinc/89/35/40/642893540.db2.gz QCDJVSYNWGTFAM-TUAOUCFPSA-N 1 0 230.352 0.455 10 0 BCAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC[S@](C)=O ZINC000252948451 642914552 /nfs/dbraw/zinc/91/45/52/642914552.db2.gz NREPNBHULCQOBL-HFAKWTLXSA-N 1 0 230.377 0.533 10 0 BCAERO CC[C@@H]([NH3+])C(=O)N[C@@H]1COc2ccccc21 ZINC000070069108 642966272 /nfs/dbraw/zinc/96/62/72/642966272.db2.gz XXNWBVGYWVYDOF-NXEZZACHSA-N 1 0 220.272 0.974 10 0 BCAERO Cn1nccc1NC(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000070502951 643030847 /nfs/dbraw/zinc/03/08/47/643030847.db2.gz CMEDZRSROIKBDU-DTWKUNHWSA-N 1 0 222.292 0.876 10 0 BCAERO CCC[NH2+][C@](C)(Cn1nccc1C)C(N)=O ZINC000070686787 643058822 /nfs/dbraw/zinc/05/88/22/643058822.db2.gz YAVWCILPIXUZML-LLVKDONJSA-N 1 0 224.308 0.435 10 0 BCAERO Cc1ccn(CCCC[C@@](C)([NH3+])C(N)=O)n1 ZINC000070686531 643059055 /nfs/dbraw/zinc/05/90/55/643059055.db2.gz MMJAOPNLWOZFMT-LLVKDONJSA-N 1 0 224.308 0.565 10 0 BCAERO Cc1ccnn1CC[C@H]([NH2+]C1CC1)C(N)=O ZINC000070686831 643061078 /nfs/dbraw/zinc/06/10/78/643061078.db2.gz PLBLRNKNZVQUAX-JTQLQIEISA-N 1 0 222.292 0.188 10 0 BCAERO Cc1nn(CCC[C@](C)([NH3+])C(N)=O)cc1Cl ZINC000070704346 643061690 /nfs/dbraw/zinc/06/16/90/643061690.db2.gz YQPRXJGQCDJYCM-JTQLQIEISA-N 1 0 244.726 0.828 10 0 BCAERO CC[NH2+][C@](C)(Cn1cc(Cl)c(C)n1)C(N)=O ZINC000070704345 643062189 /nfs/dbraw/zinc/06/21/89/643062189.db2.gz UUFJNZVJEUJTLZ-SNVBAGLBSA-N 1 0 244.726 0.698 10 0 BCAERO Cc1nn(C[C@]([NH3+])(C(N)=O)C2CC2)cc1Cl ZINC000070704320 643063688 /nfs/dbraw/zinc/06/36/88/643063688.db2.gz CZDWDZCJQGYVCP-SNVBAGLBSA-N 1 0 242.710 0.438 10 0 BCAERO Cc1ccccc1[C@H](C)[NH2+]C[C@H](O)CO ZINC000049525995 643082735 /nfs/dbraw/zinc/08/27/35/643082735.db2.gz QDTMSXJRCSGTOM-QWRGUYRKSA-N 1 0 209.289 0.999 10 0 BCAERO COC1CC([NH2+]C[C@H](O)COC(C)C)C1 ZINC000234667299 643134631 /nfs/dbraw/zinc/13/46/31/643134631.db2.gz LLDZZRRARQQAEN-YVNMAJEFSA-N 1 0 217.309 0.539 10 0 BCAERO OC[C@H]1C[C@@H](O)C[N@@H+]1CC1(O)CCCCC1 ZINC000184732826 643232016 /nfs/dbraw/zinc/23/20/16/643232016.db2.gz BBCQICOLAVXPMP-GHMZBOCLSA-N 1 0 229.320 0.109 10 0 BCAERO [NH3+]C[C@@H]1CCN1c1ncnc2scnc21 ZINC000757141903 643302736 /nfs/dbraw/zinc/30/27/36/643302736.db2.gz GKHSQMYJKWGZOW-LURJTMIESA-N 1 0 221.289 0.624 10 0 BCAERO CC[C@@H]([NH3+])CS(=O)(=O)N1CCCC1 ZINC000757149645 643336112 /nfs/dbraw/zinc/33/61/12/643336112.db2.gz DGVMKJBBYZBZEX-MRVPVSSYSA-N 1 0 206.311 0.149 10 0 BCAERO CC(=O)[C@H]1CCC[N@@H+]([C@H](C)C(=O)N(C)C)C1 ZINC000082644631 643358849 /nfs/dbraw/zinc/35/88/49/643358849.db2.gz YYHPCZOEADTBQI-KOLCDFICSA-N 1 0 226.320 0.764 10 0 BCAERO CCN(C)C(=O)C[N@@H+]1CCC[C@@H](C(C)=O)C1 ZINC000082644637 643359868 /nfs/dbraw/zinc/35/98/68/643359868.db2.gz GRNFNXFXUUHAJP-LLVKDONJSA-N 1 0 226.320 0.766 10 0 BCAERO Cc1nc(C)n([C@H](C)C[C@](C)([NH3+])C(N)=O)n1 ZINC000082800556 643382106 /nfs/dbraw/zinc/38/21/06/643382106.db2.gz MQDSETWNDBDWSI-LDWIPMOCSA-N 1 0 225.296 0.049 10 0 BCAERO C[NH2+][C@@](C)(C[C@H](C)n1cc(C)cn1)C(N)=O ZINC000082800507 643382241 /nfs/dbraw/zinc/38/22/41/643382241.db2.gz MPQWNJVONKWLRI-ONGXEEELSA-N 1 0 224.308 0.606 10 0 BCAERO CC[NH2+][C@](C)(C[C@@H](C)n1ccnc1)C(N)=O ZINC000082800140 643382264 /nfs/dbraw/zinc/38/22/64/643382264.db2.gz AHRRNGUOKZLSCR-MWLCHTKSSA-N 1 0 224.308 0.688 10 0 BCAERO C[C@H](C[NH3+])C(=O)NC[C@@H]1CCCC[C@@H]1O ZINC000082995207 643397116 /nfs/dbraw/zinc/39/71/16/643397116.db2.gz IAZJBKILCHYXEP-UTLUCORTSA-N 1 0 214.309 0.249 10 0 BCAERO CC[C@H]([NH3+])C(=O)NC[C@@H]1CCCC[C@@H]1O ZINC000082995198 643397383 /nfs/dbraw/zinc/39/73/83/643397383.db2.gz RSVMWWOKRSNQSY-GUBZILKMSA-N 1 0 214.309 0.391 10 0 BCAERO C[NH2+]CCC(=O)NC[C@@H]1CCCC[C@@H]1O ZINC000082995282 643397449 /nfs/dbraw/zinc/39/74/49/643397449.db2.gz XLMPSIALTZNFME-UWVGGRQHSA-N 1 0 214.309 0.263 10 0 BCAERO C[C@@H]([NH3+])CN(C)c1cncc(Cl)n1 ZINC000307061685 643402968 /nfs/dbraw/zinc/40/29/68/643402968.db2.gz FPAFYLYRXJPRGS-ZCFIWIBFSA-N 1 0 200.673 0.913 10 0 BCAERO [NH3+][C@@H]1CCC[C@H](C(=O)N[C@@H]2CCCOC2)C1 ZINC000071023477 643410879 /nfs/dbraw/zinc/41/08/79/643410879.db2.gz ORSQWYMUQZOYOK-HBNTYKKESA-N 1 0 226.320 0.799 10 0 BCAERO O=C(CC1CC[NH2+]CC1)N[C@H]1CCCOC1 ZINC000071023394 643411354 /nfs/dbraw/zinc/41/13/54/643411354.db2.gz OVRZXJYRISSYDG-NSHDSACASA-N 1 0 226.320 0.671 10 0 BCAERO CC(C)(F)C(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000307156801 643415140 /nfs/dbraw/zinc/41/51/40/643415140.db2.gz ONLIKUIGWPDBKM-SFYZADRCSA-N 1 0 202.273 0.978 10 0 BCAERO C[C@H](O)[C@H](C)[NH2+]C[C@@H](O)C(F)(F)F ZINC000235561007 643427652 /nfs/dbraw/zinc/42/76/52/643427652.db2.gz KFTZRWXOZKRNDR-HCWXCVPCSA-N 1 0 201.188 0.269 10 0 BCAERO C[NH2+][C@](Cn1cc(C)cn1)(C(N)=O)C1CC1 ZINC000068943203 643433671 /nfs/dbraw/zinc/43/36/71/643433671.db2.gz LDKHLZPSVPCDRX-NSHDSACASA-N 1 0 222.292 0.045 10 0 BCAERO C[C@H]1[C@H]([NH3+])CCN1C(=O)c1cnsn1 ZINC000307315966 643439389 /nfs/dbraw/zinc/43/93/89/643439389.db2.gz NAMOLKCGMKZMGD-NTSWFWBYSA-N 1 0 212.278 0.100 10 0 BCAERO CCCc1nccn1CC[C@](C)([NH3+])C(N)=O ZINC000069964631 643452499 /nfs/dbraw/zinc/45/24/99/643452499.db2.gz RFDCDRLCPVCNFQ-NSHDSACASA-N 1 0 224.308 0.428 10 0 BCAERO CC[NH2+][C@@](C)(CCn1ccc(C)n1)C(N)=O ZINC000070686551 643465481 /nfs/dbraw/zinc/46/54/81/643465481.db2.gz XXFDLHIUJXCDBZ-NSHDSACASA-N 1 0 224.308 0.435 10 0 BCAERO CC(C)(C)n1nnc(CN2CCC[C@H]2C[NH3+])n1 ZINC000655938252 643468306 /nfs/dbraw/zinc/46/83/06/643468306.db2.gz QBYTUOOQYUZEBT-VIFPVBQESA-N 1 0 238.339 0.351 10 0 BCAERO COC(=O)/C(C)=C/C[NH2+]CC(C)(C)O ZINC000234508179 643505220 /nfs/dbraw/zinc/50/52/20/643505220.db2.gz QHBQFXVAAMAZMJ-VMPITWQZSA-N 1 0 201.266 0.466 10 0 BCAERO C[N@@H+]1CCC[C@H]1CN1CCC2(C1)OCCO2 ZINC000307575490 643516616 /nfs/dbraw/zinc/51/66/16/643516616.db2.gz KMCQDZNJINMRHM-NSHDSACASA-N 1 0 226.320 0.529 10 0 BCAERO CO[C@@H](C)CC(=O)N1CCC[C@@H]1C[NH3+] ZINC000160390031 643568946 /nfs/dbraw/zinc/56/89/46/643568946.db2.gz NALQPTAMQABAQI-DTWKUNHWSA-N 1 0 200.282 0.361 10 0 BCAERO C[C@H](C[NH3+])c1noc(-c2cnns2)n1 ZINC000083592966 643592739 /nfs/dbraw/zinc/59/27/39/643592739.db2.gz DIHBXCVCLDLTKV-SCSAIBSYSA-N 1 0 211.250 0.650 10 0 BCAERO COC(=O)/C(C)=C/CN1CC[C@@H]([NH+](C)C)C1 ZINC000084003014 643640117 /nfs/dbraw/zinc/64/01/17/643640117.db2.gz JWOREPWMSMDURB-IGLBNKAOSA-N 1 0 226.320 0.742 10 0 BCAERO [NH3+]CCCCCC(=O)NC[C@@H]1CCC[C@@H]1O ZINC000084238827 643653045 /nfs/dbraw/zinc/65/30/45/643653045.db2.gz GECOHLBMYWKLAM-QWRGUYRKSA-N 1 0 228.336 0.783 10 0 BCAERO Nc1cn(CC[NH+]2CCCC2)ccc1=O ZINC000236361430 643653436 /nfs/dbraw/zinc/65/34/36/643653436.db2.gz FCAFOSRCGZMSCY-UHFFFAOYSA-N 1 0 207.277 0.526 10 0 BCAERO COCCNC(=O)[C@H]1CCCC[C@H]1C[NH3+] ZINC000084301150 643657430 /nfs/dbraw/zinc/65/74/30/643657430.db2.gz DZXCVOOLYRSALC-UWVGGRQHSA-N 1 0 214.309 0.514 10 0 BCAERO [NH3+]C[C@H]1CCCC[C@@H]1C(=O)N1CCOCC1 ZINC000084301082 643657795 /nfs/dbraw/zinc/65/77/95/643657795.db2.gz NILHGKZANLTWFY-MNOVXSKESA-N 1 0 226.320 0.610 10 0 BCAERO [NH3+]C[C@@H]1CCCC[C@H]1C(=O)N1CCOCC1 ZINC000084301077 643658052 /nfs/dbraw/zinc/65/80/52/643658052.db2.gz NILHGKZANLTWFY-WDEREUQCSA-N 1 0 226.320 0.610 10 0 BCAERO Nc1ccc([C@@H]2CCNC3=[NH+]CCN32)cc1 ZINC000236393916 643663815 /nfs/dbraw/zinc/66/38/15/643663815.db2.gz APKCCHNDFQUYKQ-NSHDSACASA-N 1 0 216.288 0.975 10 0 BCAERO CCCCOC[C@H](O)CN1CC[C@H]([NH3+])C1 ZINC000227911403 643762314 /nfs/dbraw/zinc/76/23/14/643762314.db2.gz CZFWVFMELUGSJO-WDEREUQCSA-N 1 0 216.325 0.197 10 0 BCAERO CC(=O)N[C@@H]1CCCN(C(=O)[C@H](C)[C@@H](C)[NH3+])C1 ZINC000230212563 643766975 /nfs/dbraw/zinc/76/69/75/643766975.db2.gz TUBOACXGNIRFPP-FXPVBKGRSA-N 1 0 241.335 0.097 10 0 BCAERO CC(C)N(C)S(=O)(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000085727653 643790130 /nfs/dbraw/zinc/79/01/30/643790130.db2.gz DMMUMEVFGRXKMF-UWVGGRQHSA-N 1 0 249.380 0.302 10 0 BCAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)C[C@@H]1CCCO1 ZINC000085727289 643790474 /nfs/dbraw/zinc/79/04/74/643790474.db2.gz MDVLWZWVBQPGDN-GARJFASQSA-N 1 0 226.320 0.812 10 0 BCAERO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)N1CCCC1 ZINC000085960484 643865977 /nfs/dbraw/zinc/86/59/77/643865977.db2.gz SLFQFKNAVPACJI-ZJUUUORDSA-N 1 0 211.309 0.919 10 0 BCAERO O=C(Cc1cc[nH]n1)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186517105 643900074 /nfs/dbraw/zinc/90/00/74/643900074.db2.gz ZQCZXKBUAUDQBJ-NSHDSACASA-N 1 0 248.330 0.695 10 0 BCAERO CC[C@@H](C)NC(=O)[C@H](C)[NH2+]C(C)(C)CO ZINC000035188343 643914498 /nfs/dbraw/zinc/91/44/98/643914498.db2.gz HWUVDLHLDLDQKQ-BDAKNGLRSA-N 1 0 216.325 0.650 10 0 BCAERO NC(=O)[C@]1([NH3+])CCC[C@H]1CCn1cccn1 ZINC000086547943 644147958 /nfs/dbraw/zinc/14/79/58/644147958.db2.gz GSKMXBAUPJYDRL-ONGXEEELSA-N 1 0 222.292 0.256 10 0 BCAERO C[NH2+][C@@]1(C(N)=O)CCC[C@H](n2ccnc2)C1 ZINC000086604638 644155099 /nfs/dbraw/zinc/15/50/99/644155099.db2.gz BASIGDAESFPANX-ONGXEEELSA-N 1 0 222.292 0.442 10 0 BCAERO C[NH2+][C@]1(C(N)=O)CCC[C@H](n2ccnc2)C1 ZINC000086604637 644155673 /nfs/dbraw/zinc/15/56/73/644155673.db2.gz BASIGDAESFPANX-GXSJLCMTSA-N 1 0 222.292 0.442 10 0 BCAERO Cc1cnn([C@H]2CCC[C@@]([NH3+])(C(N)=O)C2)c1 ZINC000086604704 644156282 /nfs/dbraw/zinc/15/62/82/644156282.db2.gz UUXLYHXJYZRJQK-ONGXEEELSA-N 1 0 222.292 0.489 10 0 BCAERO Cc1ccn([C@@H]2CCC[C@@]([NH3+])(C(N)=O)C2)n1 ZINC000086604735 644156581 /nfs/dbraw/zinc/15/65/81/644156581.db2.gz UQABNDMANWZMPO-KOLCDFICSA-N 1 0 222.292 0.489 10 0 BCAERO COC(=O)[C@@]1([NH3+])CC[C@@H](n2ccc(C)n2)C1 ZINC000086627220 644159067 /nfs/dbraw/zinc/15/90/67/644159067.db2.gz AFLMJNVCORYJOB-MWLCHTKSSA-N 1 0 223.276 0.787 10 0 BCAERO C1[NH2+]CC1O[C@H]1CCO[C@@]2(CCOC2)C1 ZINC000086905276 644275386 /nfs/dbraw/zinc/27/53/86/644275386.db2.gz WLKNQYVJPVBGGZ-ONGXEEELSA-N 1 0 213.277 0.313 10 0 BCAERO CC[C@H]([NH3+])C(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000084199687 644419978 /nfs/dbraw/zinc/41/99/78/644419978.db2.gz IVSSQZMOHIWCKA-CIUDSAMLSA-N 1 0 200.282 0.360 10 0 BCAERO CCC[NH2+][C@](C)(CCn1ccnc1)C(N)=O ZINC000084507772 644425736 /nfs/dbraw/zinc/42/57/36/644425736.db2.gz FWRDZHNYBVJANZ-LLVKDONJSA-N 1 0 224.308 0.517 10 0 BCAERO O=C(NC[C@H]1CCCC[C@H]1O)[C@@H]1CCCC[NH2+]1 ZINC000085985862 644454555 /nfs/dbraw/zinc/45/45/55/644454555.db2.gz ONCIPPJFPLZSKW-GRYCIOLGSA-N 1 0 240.347 0.796 10 0 BCAERO CN(C)[C@H](CN[C@H]1CC[NH2+]C1)c1ccco1 ZINC000086725100 644469311 /nfs/dbraw/zinc/46/93/11/644469311.db2.gz VJDYEUTXNJSGBE-WDEREUQCSA-N 1 0 223.320 0.834 10 0 BCAERO C[C@H](O)CCNC(=O)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000087222361 644482645 /nfs/dbraw/zinc/48/26/45/644482645.db2.gz LCFCGYGZRJKGMX-AXFHLTTASA-N 1 0 228.336 0.781 10 0 BCAERO CC(C)(C)c1noc(C[C@H]2COCC[NH2+]2)n1 ZINC000087506923 644497679 /nfs/dbraw/zinc/49/76/79/644497679.db2.gz PJIXPKVVVUOQHV-QMMMGPOBSA-N 1 0 225.292 0.898 10 0 BCAERO C[C@@H]1COCCN1C(=O)c1ccc(C[NH3+])o1 ZINC000087046121 644514371 /nfs/dbraw/zinc/51/43/71/644514371.db2.gz AZVUVZAKVRKFTE-MRVPVSSYSA-N 1 0 224.260 0.599 10 0 BCAERO NC(=O)OCc1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000685946167 644517592 /nfs/dbraw/zinc/51/75/92/644517592.db2.gz DJCFJBMNQZNDGV-QMMMGPOBSA-N 1 0 225.252 0.212 10 0 BCAERO CC(C)S(=O)(=O)N1CC[C@H]([NH3+])[C@H](F)C1 ZINC000685946169 644518026 /nfs/dbraw/zinc/51/80/26/644518026.db2.gz LMCIAVMULBAXSR-SFYZADRCSA-N 1 0 224.301 0.096 10 0 BCAERO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)c3ccc[nH]c3=O)C[C@H]12 ZINC000248626519 644691640 /nfs/dbraw/zinc/69/16/40/644691640.db2.gz OEKJTKICRNWOAR-DVVUODLYSA-N 1 0 247.298 0.597 10 0 BCAERO C(CN1CC[N@@H+]2CCC[C@@H]2C1)C1OCCCO1 ZINC000094462511 644718882 /nfs/dbraw/zinc/71/88/82/644718882.db2.gz ADRWJFDWBRVJNT-GFCCVEGCSA-N 1 0 240.347 0.920 10 0 BCAERO COC(=O)[C@H]1C[N@H+](CCC(=O)N(C)C)C[C@@H]1C ZINC000094996835 644735463 /nfs/dbraw/zinc/73/54/63/644735463.db2.gz FZUZATPZSJYFPT-UWVGGRQHSA-N 1 0 242.319 0.206 10 0 BCAERO COC(=O)CC[N@H+]1C[C@H](C(=O)OC)[C@H](C)C1 ZINC000094996601 644735687 /nfs/dbraw/zinc/73/56/87/644735687.db2.gz ZRFPBVCFKAVGER-BDAKNGLRSA-N 1 0 229.276 0.290 10 0 BCAERO COC(=O)[C@H]1C[N@H+](CC(=O)NC2CC2)C[C@@H]1C ZINC000094996955 644736021 /nfs/dbraw/zinc/73/60/21/644736021.db2.gz CRZVGOARPZPLBN-WPRPVWTQSA-N 1 0 240.303 0.006 10 0 BCAERO COC(=O)[C@H]1C[N@H+](Cc2cncn2C)C[C@H]1C ZINC000094997065 644736800 /nfs/dbraw/zinc/73/68/00/644736800.db2.gz PSJLJRJIBQSRMN-KOLCDFICSA-N 1 0 237.303 0.661 10 0 BCAERO CCN(c1ccc(C(=O)NC)nn1)[C@H]1CC[NH2+]C1 ZINC000095013139 644737098 /nfs/dbraw/zinc/73/70/98/644737098.db2.gz WCLGHRGMJOEKGG-VIFPVBQESA-N 1 0 249.318 0.024 10 0 BCAERO C[NH2+]C[C@H]1CCCCN1c1ccc(C(N)=O)nn1 ZINC000095013055 644737386 /nfs/dbraw/zinc/73/73/86/644737386.db2.gz UMCFRIQWSUCVEJ-SECBINFHSA-N 1 0 249.318 0.154 10 0 BCAERO CNC(=O)c1ccc(N2CCCC[C@@H]2C[NH3+])nn1 ZINC000095012909 644738071 /nfs/dbraw/zinc/73/80/71/644738071.db2.gz XWYGOXMZKBTHME-SECBINFHSA-N 1 0 249.318 0.154 10 0 BCAERO COC(=O)[C@H]1C[N@H+](Cc2ccc(N)nc2)C[C@@H]1C ZINC000095022178 644739465 /nfs/dbraw/zinc/73/94/65/644739465.db2.gz OMUNGSUHRNJGAT-ONGXEEELSA-N 1 0 249.314 0.905 10 0 BCAERO CC[N@@H+]1CCC[C@H](N2C(=O)[C@@H](C)NC2=S)C1 ZINC000249808681 644742043 /nfs/dbraw/zinc/74/20/43/644742043.db2.gz XIPXVUJZDGFQOG-BDAKNGLRSA-N 1 0 241.360 0.576 10 0 BCAERO COCC[C@H]([NH3+])C(=O)N[C@H](C)[C@H]1CCCO1 ZINC000251438464 644804115 /nfs/dbraw/zinc/80/41/15/644804115.db2.gz ALCIHBQWVJJLDP-KXUCPTDWSA-N 1 0 230.308 0.034 10 0 BCAERO COCC[C@H]([NH3+])C(=O)N[C@@H](C)[C@H]1CCCO1 ZINC000251438467 644804248 /nfs/dbraw/zinc/80/42/48/644804248.db2.gz ALCIHBQWVJJLDP-LPEHRKFASA-N 1 0 230.308 0.034 10 0 BCAERO C[C@@H]1OCC[C@@H]1NC(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000252740708 644897390 /nfs/dbraw/zinc/89/73/90/644897390.db2.gz HLUDHTQXYLKRKF-MMWGEVLESA-N 1 0 226.320 0.798 10 0 BCAERO COc1cc(N2CC[C@@H](C)[C@H](C[NH3+])C2)ncn1 ZINC000253181177 644941369 /nfs/dbraw/zinc/94/13/69/644941369.db2.gz DYRJKZVTJBXJBY-NXEZZACHSA-N 1 0 236.319 0.906 10 0 BCAERO c1cnc(N2CCC[C@@]23CC[NH2+]C3)cn1 ZINC000034076639 646184038 /nfs/dbraw/zinc/18/40/38/646184038.db2.gz UTDCHRIOAZMHNF-NSHDSACASA-N 1 0 204.277 0.809 10 0 BCAERO CC[C@](C)(O)C[N@@H+]1CC[C@@H](O)[C@H](F)C1 ZINC000725622365 711667112 /nfs/dbraw/zinc/66/71/12/711667112.db2.gz OIJLVOXKJYMUHA-BBBLOLIVSA-N 1 0 205.273 0.552 10 0 BCAERO CC[C@@H]([NH2+][C@@H]1CS(=O)(=O)C[C@H]1O)C(C)C ZINC000700570263 711999218 /nfs/dbraw/zinc/99/92/18/711999218.db2.gz WJKQNJXEEACHBY-OPRDCNLKSA-N 1 0 235.349 0.169 10 0 BCAERO Cc1cc(C)n(CCC(=O)NCC[C@@H](C)[NH3+])n1 ZINC000701172390 712018015 /nfs/dbraw/zinc/01/80/15/712018015.db2.gz VJTSFMMGDRKGSQ-SECBINFHSA-N 1 0 238.335 0.744 10 0 BCAERO Cc1cc(OCC(=O)N2C[C@H]([NH3+])[C@@H](C)C2)no1 ZINC000701392082 712021971 /nfs/dbraw/zinc/02/19/71/712021971.db2.gz QCDOZMPBENNUPW-CBAPKCEASA-N 1 0 239.275 0.167 10 0 BCAERO C[C@@H](NC(=O)[C@@H](N)C[NH+](C)C)c1cccs1 ZINC000702415413 712051807 /nfs/dbraw/zinc/05/18/07/712051807.db2.gz UVGJBLBWYHYBMW-BDAKNGLRSA-N 1 0 241.360 0.814 10 0 BCAERO CO[C@@H]1CN(C[C@@H]2CCCO2)[C@](C)(C[NH3+])C1 ZINC000708939467 712203840 /nfs/dbraw/zinc/20/38/40/712203840.db2.gz DLAQLUZYYYSHGY-SRVKXCTJSA-N 1 0 228.336 0.604 10 0 BCAERO C[C@@H]1COC[C@@H](C)N1C(=O)[C@H]1[NH2+]CC1(C)C ZINC000710185105 712247617 /nfs/dbraw/zinc/24/76/17/712247617.db2.gz OHUNFDPLYBULIB-OPRDCNLKSA-N 1 0 226.320 0.620 10 0 BCAERO C[C@@H]1COC[C@H](C)N1C(=O)[C@H]1C[NH2+]CC1(C)C ZINC000711378332 712296015 /nfs/dbraw/zinc/29/60/15/712296015.db2.gz UYEYYSFBLLFCKT-OUAUKWLOSA-N 1 0 240.347 0.868 10 0 BCAERO C(CN1CC[N@@H+]2CCC[C@@H]2C1)OC1CC1 ZINC000711647784 712314217 /nfs/dbraw/zinc/31/42/17/712314217.db2.gz LEGJJWNDSFHDEO-LLVKDONJSA-N 1 0 210.321 0.945 10 0 BCAERO [NH3+]C[C@@H]1C[C@H](F)CN1C(=O)/C=C/C1CC1 ZINC000378789796 712361437 /nfs/dbraw/zinc/36/14/37/712361437.db2.gz MYYOTUOTSWOOIR-OHINUGQQSA-N 1 0 212.268 0.850 10 0 BCAERO CC(C)C1([NH2+][C@@H]2CCC(=O)NC2=O)CC1 ZINC000378860988 712364078 /nfs/dbraw/zinc/36/40/78/712364078.db2.gz QASHMNCZZWFYDR-MRVPVSSYSA-N 1 0 210.277 0.570 10 0 BCAERO CC(C)(O)C[NH2+]C[C@H]1CC2(CO1)CCOCC2 ZINC000712656738 712439805 /nfs/dbraw/zinc/43/98/05/712439805.db2.gz HVWITNQZXLNXRD-LLVKDONJSA-N 1 0 243.347 0.933 10 0 BCAERO CC(C)(C)[C@H](O)CNC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000713432233 712459866 /nfs/dbraw/zinc/45/98/66/712459866.db2.gz VTLCVOJWZYTPGE-COMAGPEQSA-N 1 0 240.347 0.637 10 0 BCAERO CCCN(CC1CC1)C(=O)[C@H]1CO[C@@H](C[NH3+])C1 ZINC000713914431 712472750 /nfs/dbraw/zinc/47/27/50/712472750.db2.gz XRAXPLQUZJPQDV-VXGBXAGGSA-N 1 0 240.347 0.999 10 0 BCAERO CC(C)CN(C)C(=O)[C@H]1CO[C@H](C[NH3+])C1 ZINC000713874070 712473229 /nfs/dbraw/zinc/47/32/29/712473229.db2.gz RKPFBOUJMRFRPJ-ZJUUUORDSA-N 1 0 214.309 0.465 10 0 BCAERO CC(C)OCCCNC(=O)[C@@H]1CO[C@@H](C[NH3+])C1 ZINC000713855335 712473237 /nfs/dbraw/zinc/47/32/37/712473237.db2.gz GPHJQTJUGSYNFO-WDEREUQCSA-N 1 0 244.335 0.282 10 0 BCAERO CCCCN(C)C(=O)[C@@H]1CO[C@@H](C[NH3+])C1 ZINC000713874084 712473243 /nfs/dbraw/zinc/47/32/43/712473243.db2.gz ROFSGTWIVPZZSW-VHSXEESVSA-N 1 0 214.309 0.609 10 0 BCAERO CC(C)CNC(=O)[C@H]1CO[C@@H](C[NH3+])C1 ZINC000713838108 712473267 /nfs/dbraw/zinc/47/32/67/712473267.db2.gz QAVNVUSGMXXDFC-RKDXNWHRSA-N 1 0 200.282 0.122 10 0 BCAERO C[C@@H]1C[C@H](C)CN(C(=O)[C@H]2CO[C@H](C[NH3+])C2)C1 ZINC000713923624 712473487 /nfs/dbraw/zinc/47/34/87/712473487.db2.gz DPSZUSMUMZUIJU-KXNHARMFSA-N 1 0 240.347 0.855 10 0 BCAERO CCS(=O)(=O)C[C@H](C)[NH2+]C1CC(COC)C1 ZINC000713931417 712473893 /nfs/dbraw/zinc/47/38/93/712473893.db2.gz SOOCCMPNEUHZFI-WHXUTIOJSA-N 1 0 249.376 0.824 10 0 BCAERO COCC1CC(NC(=O)C2=CC[C@H]([NH3+])C2)C1 ZINC000713996286 712477147 /nfs/dbraw/zinc/47/71/47/712477147.db2.gz RVWHBDYSBCADTK-JZQLECPJSA-N 1 0 224.304 0.575 10 0 BCAERO C[NH2+][C@H](C)CNS(=O)(=O)CCCC1CC1 ZINC000715048358 712504584 /nfs/dbraw/zinc/50/45/84/712504584.db2.gz JESNHYRNQRZPBM-SECBINFHSA-N 1 0 234.365 0.704 10 0 BCAERO [NH3+]C[C@@H]1[C@H](C(=O)N[C@@H]2CCC[C@@H](O)C2)C1(F)F ZINC000715073503 712506086 /nfs/dbraw/zinc/50/60/86/712506086.db2.gz KDQYLVFHUYIBDX-FNCVBFRFSA-N 1 0 248.273 0.246 10 0 BCAERO CSC[C@H](C)C(=O)NCC1CC([NH3+])C1 ZINC000715073015 712506184 /nfs/dbraw/zinc/50/61/84/712506184.db2.gz DXUDGZMFOOELDZ-UEJVZZJDSA-N 1 0 216.350 0.839 10 0 BCAERO COCC1CC(NC(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)C1 ZINC000715073797 712506248 /nfs/dbraw/zinc/50/62/48/712506248.db2.gz MSMRZKSAMCBHIH-PEBLOWIWSA-N 1 0 248.273 0.368 10 0 BCAERO [NH3+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000715073724 712506298 /nfs/dbraw/zinc/50/62/98/712506298.db2.gz UOPGFVFPHASRPX-HBKXCPMBSA-N 1 0 208.305 0.886 10 0 BCAERO CCC(CC)NC(=O)[C@]12C[NH2+]C[C@H]1COCC2 ZINC000715469151 712520466 /nfs/dbraw/zinc/52/04/66/712520466.db2.gz ULFXJKLEXPCLCA-GXFFZTMASA-N 1 0 240.347 0.917 10 0 BCAERO O=C([C@H]1CCC[NH2+]C1)N1C[C@H]2[C@@H](C1)C2(F)F ZINC000715500013 712524076 /nfs/dbraw/zinc/52/40/76/712524076.db2.gz SABLSJUWQGFYOF-XHNCKOQMSA-N 1 0 230.258 0.710 10 0 BCAERO C[C@H]([NH2+]C1CC(S(C)(=O)=O)C1)[C@@H]1CCCO1 ZINC000716086697 712550110 /nfs/dbraw/zinc/55/01/10/712550110.db2.gz YDKIELNMPNIEDP-PMUOWJKOSA-N 1 0 247.360 0.719 10 0 BCAERO C[C@H]([NH2+]C1CC(S(C)(=O)=O)C1)[C@H]1CCCO1 ZINC000716086573 712550257 /nfs/dbraw/zinc/55/02/57/712550257.db2.gz YDKIELNMPNIEDP-IDWGSYCQSA-N 1 0 247.360 0.719 10 0 BCAERO C[C@@H]([NH2+]C1CC(C(N)=O)C1)c1cn(C)cn1 ZINC000716696499 712570481 /nfs/dbraw/zinc/57/04/81/712570481.db2.gz CAIJPVUTFRBKNA-AFPNSQJFSA-N 1 0 222.292 0.335 10 0 BCAERO CC[C@H]1C[C@@H]([NH2+]C2CC(C(N)=O)C2)CO1 ZINC000716731311 712571338 /nfs/dbraw/zinc/57/13/38/712571338.db2.gz KTBBDGSBVJNUMN-BMNUFHGDSA-N 1 0 212.293 0.407 10 0 BCAERO C[C@@H]([NH2+]C1CC(C(N)=O)C1)[C@H]1CCCO1 ZINC000716741164 712571917 /nfs/dbraw/zinc/57/19/17/712571917.db2.gz OFJHFVMYFBSYMS-SEZDTBSWSA-N 1 0 212.293 0.407 10 0 BCAERO C[C@@H]([NH2+]C1CC(C(N)=O)C1)[C@@H]1CCCO1 ZINC000716741165 712571929 /nfs/dbraw/zinc/57/19/29/712571929.db2.gz OFJHFVMYFBSYMS-WOOKNIGNSA-N 1 0 212.293 0.407 10 0 BCAERO NC(=O)C1CC([NH2+]C[C@@H](O)CC2CCCC2)C1 ZINC000716760310 712572492 /nfs/dbraw/zinc/57/24/92/712572492.db2.gz MSOMTJYMGNOHQB-MCIGGMRASA-N 1 0 240.347 0.781 10 0 BCAERO C[C@@H]1C[C@@H]([NH2+]C2CC(C(N)=O)C2)CCN1C ZINC000716762728 712572872 /nfs/dbraw/zinc/57/28/72/712572872.db2.gz ZLSMRIMDKKTLFK-VKAADOFISA-N 1 0 225.336 0.323 10 0 BCAERO C[C@H]1OCC[C@@H]1NC(=O)CC[NH2+]CC1CC1 ZINC000717244608 712641420 /nfs/dbraw/zinc/64/14/20/712641420.db2.gz ZEBFHJPTJJMYEO-KOLCDFICSA-N 1 0 226.320 0.670 10 0 BCAERO CCC[C@](C)([NH3+])C(=O)N1CCOC[C@@H]1C ZINC000037481451 712648354 /nfs/dbraw/zinc/64/83/54/712648354.db2.gz ZHHCKVOHXSKIHU-ONGXEEELSA-N 1 0 214.309 0.751 10 0 BCAERO C[C@H](O)[C@@H](O)C[NH2+]CCc1ccccc1 ZINC000717418453 712657153 /nfs/dbraw/zinc/65/71/53/712657153.db2.gz FTUSBVLGVCSECR-JQWIXIFHSA-N 1 0 209.289 0.560 10 0 BCAERO CCC[C@@H]1C[C@H]1NC(=O)c1c(C[NH3+])cnn1C ZINC000719245746 712801440 /nfs/dbraw/zinc/80/14/40/712801440.db2.gz SFGDVAQCIKWGNW-PSASIEDQSA-N 1 0 236.319 0.797 10 0 BCAERO C[C@H]1[C@H]([NH2+][C@@H]2CCCC[C@H]2O)CCN1C ZINC000719604049 712815965 /nfs/dbraw/zinc/81/59/65/712815965.db2.gz VFEVFFOVKQFEHA-IRCOFANPSA-N 1 0 212.337 0.972 10 0 BCAERO C[NH2+]CCCCC(=O)N[C@@H]1CCC[C@@H](O)C1 ZINC000719715056 712823230 /nfs/dbraw/zinc/82/32/30/712823230.db2.gz NINWXWPVHVUHSL-GHMZBOCLSA-N 1 0 228.336 0.796 10 0 BCAERO C[C@H]1NC(=O)CC[C@H]1[NH2+]CCc1ccns1 ZINC000719875016 712825158 /nfs/dbraw/zinc/82/51/58/712825158.db2.gz WGGWAQKMTUVGKT-PSASIEDQSA-N 1 0 239.344 0.942 10 0 BCAERO Cc1cc(C[NH2+]C2CC(C(N)=O)C2)no1 ZINC000720420135 712841098 /nfs/dbraw/zinc/84/10/98/712841098.db2.gz QFNURZKUDATMJB-UHFFFAOYSA-N 1 0 209.249 0.337 10 0 BCAERO C[C@H](N[C@H]1CCC[NH2+]CC1)c1cn(C)nn1 ZINC000720583967 712854626 /nfs/dbraw/zinc/85/46/26/712854626.db2.gz NVOQIBXMISMZCO-UWVGGRQHSA-N 1 0 223.324 0.608 10 0 BCAERO CC(C)OC[C@H](O)CN1C[C@@H]([NH3+])C(C)(C)C1 ZINC000720746051 712863132 /nfs/dbraw/zinc/86/31/32/712863132.db2.gz FMBHILQLADHVNY-GHMZBOCLSA-N 1 0 230.352 0.441 10 0 BCAERO CCc1nc(CC[NH2+]Cc2cnc[nH]2)no1 ZINC000381317595 710623007 /nfs/dbraw/zinc/62/30/07/710623007.db2.gz NOUBRMVFIXLQMZ-UHFFFAOYSA-N 1 0 221.264 0.687 10 0 BCAERO CCN1CCC[C@H]([NH2+]C[C@H](O)C(C)(C)C)C1=O ZINC000722352729 710707684 /nfs/dbraw/zinc/70/76/84/710707684.db2.gz KRQGSGGBRKPANQ-QWRGUYRKSA-N 1 0 242.363 0.994 10 0 BCAERO CN(C)Cc1csc(CN[C@H]2CC[NH2+]C2)n1 ZINC000722378683 710712815 /nfs/dbraw/zinc/71/28/15/710712815.db2.gz LYTZYVFMAZEZPD-VIFPVBQESA-N 1 0 240.376 0.656 10 0 BCAERO [NH3+][C@@H](CC(F)F)CN1CCn2ccnc2C1 ZINC000380536863 712901419 /nfs/dbraw/zinc/90/14/19/712901419.db2.gz GBCPDHQSEYEDIU-QMMMGPOBSA-N 1 0 230.262 0.681 10 0 BCAERO COC[C@H](C[N@@H+]1CCO[C@H](CO)C1)C(C)C ZINC000721972243 710695733 /nfs/dbraw/zinc/69/57/33/710695733.db2.gz IGSIPPYOPWCEAR-RYUDHWBXSA-N 1 0 231.336 0.598 10 0 BCAERO C[C@H](NC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2)[C@H]1CCCO1 ZINC000713238120 711452973 /nfs/dbraw/zinc/45/29/73/711452973.db2.gz AYBOROJTZVQZBJ-UGCHFJIKSA-N 1 0 238.331 0.798 10 0 BCAERO C[C@H]1COCCN1C(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000713247556 711453009 /nfs/dbraw/zinc/45/30/09/711453009.db2.gz PVCLKOHEWDIHQG-WYFGTUCQSA-N 1 0 224.304 0.361 10 0 BCAERO C[C@@H]1OC[C@H]([NH2+]C[C@@H]2CC(=O)N(C)C2)[C@@H]1C ZINC000722754657 711469973 /nfs/dbraw/zinc/46/99/73/711469973.db2.gz UEEDKTFSPIRRSJ-RCWTZXSCSA-N 1 0 226.320 0.478 10 0 BCAERO CN1C[C@@H](C[NH2+]C[C@H]2CCCOC2)CC1=O ZINC000722745947 711469984 /nfs/dbraw/zinc/46/99/84/711469984.db2.gz HPNMWSHAYNOGGY-GHMZBOCLSA-N 1 0 226.320 0.481 10 0 BCAERO C[C@@H](O)[C@@H](C)[NH2+]Cc1cnc(N(C)C)nc1 ZINC000336672215 711478232 /nfs/dbraw/zinc/47/82/32/711478232.db2.gz AEHBUBWQCHDJER-RKDXNWHRSA-N 1 0 224.308 0.402 10 0 BCAERO [NH3+][C@@H]1CCC[C@@H](C(=O)N[C@H]2CCC[C@@H](O)C2)C1 ZINC000718026935 711493521 /nfs/dbraw/zinc/49/35/21/711493521.db2.gz ADGCHWVWYSPGNK-WISYIIOYSA-N 1 0 240.347 0.924 10 0 BCAERO C[C@H]1CN(C(=O)c2cccn3nccc23)C[C@H]1[NH3+] ZINC000723496497 711513139 /nfs/dbraw/zinc/51/31/39/711513139.db2.gz IEHMXPWRGNRVMY-GXSJLCMTSA-N 1 0 244.298 0.754 10 0 BCAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)c1cccn2nccc12 ZINC000723498149 711513451 /nfs/dbraw/zinc/51/34/51/711513451.db2.gz VSEXWUYTYCLORL-KOLCDFICSA-N 1 0 244.298 0.896 10 0 BCAERO COc1cc(N2C[C@@H](C)[C@H](CC[NH3+])C2)ncn1 ZINC000723893733 711544028 /nfs/dbraw/zinc/54/40/28/711544028.db2.gz COVBYZFPURTMRF-NXEZZACHSA-N 1 0 236.319 0.906 10 0 BCAERO C[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CS(=O)(=O)C[C@H]1O ZINC000700600741 711590855 /nfs/dbraw/zinc/59/08/55/711590855.db2.gz XMKDWHLIEMVMCH-UKKRHICBSA-N 1 0 247.360 0.313 10 0 BCAERO CC(C)(CO)[NH2+]CCO[C@H]1CCOC1 ZINC000724932980 711630403 /nfs/dbraw/zinc/63/04/03/711630403.db2.gz CEORBJZFPMKBEH-VIFPVBQESA-N 1 0 203.282 0.152 10 0 BCAERO CC(C)(C)[C@@H](O)C[NH2+]CCO[C@@H]1CCOC1 ZINC000724985874 711640821 /nfs/dbraw/zinc/64/08/21/711640821.db2.gz OETWZLNYNMVNTQ-MNOVXSKESA-N 1 0 231.336 0.789 10 0 BCAERO COC[C@H](C)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000186824457 711738217 /nfs/dbraw/zinc/73/82/17/711738217.db2.gz KBLDKIICRGLWLS-GUBZILKMSA-N 1 0 214.309 0.383 10 0 BCAERO OCC1(C[NH2+]CCc2ccccc2)COC1 ZINC000258733876 711741412 /nfs/dbraw/zinc/74/14/12/711741412.db2.gz VLXNDRKJHIJGAC-UHFFFAOYSA-N 1 0 221.300 0.828 10 0 BCAERO [NH3+]C1CC(C(=O)NCCc2ccccn2)C1 ZINC000258721531 711741665 /nfs/dbraw/zinc/74/16/65/711741665.db2.gz NLPXOAVAMXFFBS-UHFFFAOYSA-N 1 0 219.288 0.478 10 0 BCAERO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccnnc1 ZINC000229193715 711759684 /nfs/dbraw/zinc/75/96/84/711759684.db2.gz HYUOJMJKMKUCSZ-ZACCUICWSA-N 1 0 232.287 0.489 10 0 BCAERO CCO[C@H](C)C(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000236912345 711763224 /nfs/dbraw/zinc/76/32/24/711763224.db2.gz YEDOTQVKHZVCCS-OPRDCNLKSA-N 1 0 214.309 0.655 10 0 BCAERO CC(C)(O)[C@H]1CC[N@H+](CC2(O)CCC2)C1 ZINC000721778268 711769406 /nfs/dbraw/zinc/76/94/06/711769406.db2.gz YXTURUUGJFCXIV-JTQLQIEISA-N 1 0 213.321 0.994 10 0 BCAERO CC(C)(O)[C@@H]1CC[N@H+](C[C@@H]2CNC(=O)O2)C1 ZINC000721797525 711769926 /nfs/dbraw/zinc/76/99/26/711769926.db2.gz FQTFXMLOPPYXHT-BDAKNGLRSA-N 1 0 228.292 0.188 10 0 BCAERO CC[C@@H](NC[C@@H]1CC[C@H]([NH3+])C1)C(=O)OC ZINC000669384770 711790275 /nfs/dbraw/zinc/79/02/75/711790275.db2.gz FIRUODJMTYPPRQ-KXUCPTDWSA-N 1 0 214.309 0.655 10 0 BCAERO COC(=O)[C@H]1C[N@H+](CCc2cn[nH]c2)C[C@H]1C ZINC000379741093 711810673 /nfs/dbraw/zinc/81/06/73/711810673.db2.gz KEYAXSODDZEORL-KOLCDFICSA-N 1 0 237.303 0.693 10 0 BCAERO CC(C)C[C@H](O)CNC(=O)C[C@H]1CCC[NH2+]C1 ZINC000226119639 711830136 /nfs/dbraw/zinc/83/01/36/711830136.db2.gz ZSZLSYBCIVGSHD-NEPJUHHUSA-N 1 0 242.363 0.899 10 0 BCAERO C[C@@H]1OCC[C@@H]1NC(=O)C[C@@H]([NH3+])C1CC1 ZINC000226457748 711831105 /nfs/dbraw/zinc/83/11/05/711831105.db2.gz MYZVALYCETWZQA-SFGNSQDASA-N 1 0 212.293 0.407 10 0 BCAERO CNC(=O)CCC[N@@H+]1C[C@H](C)[C@H](C(=O)OC)C1 ZINC000227823708 711833101 /nfs/dbraw/zinc/83/31/01/711833101.db2.gz HSSWRJKJTUIJHL-VHSXEESVSA-N 1 0 242.319 0.254 10 0 BCAERO C[NH2+][C@H](C)C(=O)N[C@H](C)CCSC ZINC000228944554 711837017 /nfs/dbraw/zinc/83/70/17/711837017.db2.gz JCFJUMHDKMLTAC-HTQZYQBOSA-N 1 0 204.339 0.852 10 0 BCAERO COC[C@H](C[N@@H+]1C[C@H](O)C[C@H]1CO)C(C)C ZINC000721986659 711861375 /nfs/dbraw/zinc/86/13/75/711861375.db2.gz YLVZBJDWCCRKNR-SDDRHHMPSA-N 1 0 231.336 0.333 10 0 BCAERO CCONC(=O)C1(CCOC)CC[NH2+]CC1 ZINC000700088376 711985485 /nfs/dbraw/zinc/98/54/85/711985485.db2.gz UOHHEPHJLVRFKL-UHFFFAOYSA-N 1 0 230.308 0.460 10 0 BCAERO COCCC1(C(=O)NOC)CC[NH2+]CC1 ZINC000700069580 711985527 /nfs/dbraw/zinc/98/55/27/711985527.db2.gz IJUGYKSTBQVXLR-UHFFFAOYSA-N 1 0 216.281 0.070 10 0 BCAERO CCCC[C@@H](C)[NH2+][C@@H]1CS(=O)(=O)C[C@H]1O ZINC000700523132 711996551 /nfs/dbraw/zinc/99/65/51/711996551.db2.gz CDHVVIVQHCHLLM-OPRDCNLKSA-N 1 0 235.349 0.313 10 0 BCAERO O=C(N[C@H]1CC[NH2+]C1)[C@H]1Cc2ccccc2CO1 ZINC000700649448 712001919 /nfs/dbraw/zinc/00/19/19/712001919.db2.gz BVUWYOQDUBFGSQ-QWHCGFSZSA-N 1 0 246.310 0.606 10 0 BCAERO C[C@@H](CC[NH3+])NC(=O)[C@@H]1Cc2ccccc2CO1 ZINC000700658248 712001943 /nfs/dbraw/zinc/00/19/43/712001943.db2.gz XXTUGYKVAWCHPS-GWCFXTLKSA-N 1 0 248.326 0.981 10 0 BCAERO O=C(NCC1C[NH2+]C1)[C@H]1Cc2ccccc2CO1 ZINC000700683564 712003590 /nfs/dbraw/zinc/00/35/90/712003590.db2.gz DIMZXRFDDKBPCV-CYBMUJFWSA-N 1 0 246.310 0.464 10 0 BCAERO CN(CCO)CC[N@H+](C)C[C@H]1CCCOC1 ZINC000701026978 712012327 /nfs/dbraw/zinc/01/23/27/712012327.db2.gz CZTSJOQJCDXWSY-GFCCVEGCSA-N 1 0 230.352 0.269 10 0 BCAERO C[NH2+][C@H](C)CNC(=O)/C=C\c1cccnc1 ZINC000701046398 712012991 /nfs/dbraw/zinc/01/29/91/712012991.db2.gz XXMURXPRZHSPLZ-WWQCOOJYSA-N 1 0 219.288 0.819 10 0 BCAERO [NH3+]C[C@@H]1CCCN1C(=O)c1cccnc1F ZINC000701056217 712014281 /nfs/dbraw/zinc/01/42/81/712014281.db2.gz RERQVKSXFGHXHV-QMMMGPOBSA-N 1 0 223.251 0.784 10 0 BCAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)/C=C/c1cnn(C)c1 ZINC000701377942 712021660 /nfs/dbraw/zinc/02/16/60/712021660.db2.gz HOAGJUTVXSWYRK-IDFWJGBYSA-N 1 0 234.303 0.381 10 0 BCAERO C[C@@]1(C(=O)NCc2ncccn2)CCCC[NH2+]1 ZINC000702342568 712045868 /nfs/dbraw/zinc/04/58/68/712045868.db2.gz ODQKVQNBZDRANB-LBPRGKRZSA-N 1 0 234.303 0.625 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)NCc1ncccn1 ZINC000702342942 712045955 /nfs/dbraw/zinc/04/59/55/712045955.db2.gz RMOHQAYBWLPLBR-VHSXEESVSA-N 1 0 234.303 0.468 10 0 BCAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)NCc1ncccn1 ZINC000702342939 712046041 /nfs/dbraw/zinc/04/60/41/712046041.db2.gz RMOHQAYBWLPLBR-NXEZZACHSA-N 1 0 234.303 0.468 10 0 BCAERO C[C@H](NC(=O)[C@@H](N)C[NH+](C)C)C1CCCC1 ZINC000702329352 712046935 /nfs/dbraw/zinc/04/69/35/712046935.db2.gz KDRQJOYWYXAIPM-ONGXEEELSA-N 1 0 227.352 0.570 10 0 BCAERO CCC1CCC(NC(=O)[C@@H](N)C[NH+](C)C)CC1 ZINC000702340196 712047999 /nfs/dbraw/zinc/04/79/99/712047999.db2.gz HQGSODQHHXRGRH-MCIGGMRASA-N 1 0 241.379 0.960 10 0 BCAERO O=C(/C=C/c1ccccc1)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000702848004 712061210 /nfs/dbraw/zinc/06/12/10/712061210.db2.gz VSFSVFQELGPUTQ-XKZLPGLHSA-N 1 0 246.310 0.396 10 0 BCAERO CCCCCCC(=O)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000702813656 712061296 /nfs/dbraw/zinc/06/12/96/712061296.db2.gz IEWGCEVARTUUEE-WDEREUQCSA-N 1 0 228.336 0.653 10 0 BCAERO C[C@@H](O)[C@@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC000705929951 712138165 /nfs/dbraw/zinc/13/81/65/712138165.db2.gz LLUZMAFWCZPPDE-GHMZBOCLSA-N 1 0 240.347 0.748 10 0 BCAERO C[C@H]1CN(Cc2cc(Cl)n(C)n2)C[C@@H]1[NH3+] ZINC000706123178 712140351 /nfs/dbraw/zinc/14/03/51/712140351.db2.gz GCAUSXRLJAUWAM-CBAPKCEASA-N 1 0 228.727 0.853 10 0 BCAERO CC[C@@H]1COC[C@@H]1[NH2+][C@@H]1CCOC[C@@H]1O ZINC000706788544 712155323 /nfs/dbraw/zinc/15/53/23/712155323.db2.gz IDPCLVSKQONHRZ-ZNSHCXBVSA-N 1 0 215.293 0.151 10 0 BCAERO Cc1ccc(C[NH2+][C@H]2CCOC[C@H]2O)cn1 ZINC000706791713 712155939 /nfs/dbraw/zinc/15/59/39/712155939.db2.gz ZWETZURIVCSGNS-NWDGAFQWSA-N 1 0 222.288 0.629 10 0 BCAERO CCN(CC(=O)OC)C(=O)[C@H]([NH3+])CC(C)C ZINC000707301404 712169350 /nfs/dbraw/zinc/16/93/50/712169350.db2.gz QQJNZODITGQRIM-SECBINFHSA-N 1 0 230.308 0.381 10 0 BCAERO CC(C)CC[C@@H]([NH3+])C(=O)N1CCOC[C@H]1C ZINC000707720894 712176743 /nfs/dbraw/zinc/17/67/43/712176743.db2.gz DNXVDICXANODSB-GHMZBOCLSA-N 1 0 228.336 0.997 10 0 BCAERO Cc1ncccc1CNC(=O)C1CC([NH3+])C1 ZINC000707855232 712180434 /nfs/dbraw/zinc/18/04/34/712180434.db2.gz GHDNHSHJMUKITP-UHFFFAOYSA-N 1 0 219.288 0.744 10 0 BCAERO C[C@@H]1COC[C@@H](C)N1C(=O)[C@H]([NH3+])CC1CC1 ZINC000708379514 712191641 /nfs/dbraw/zinc/19/16/41/712191641.db2.gz QEODHXVOVFLHIR-FXPVBKGRSA-N 1 0 226.320 0.750 10 0 BCAERO C[C@@H]1C[N@H+](CCCc2cnn(C)c2)C[C@H]1CO ZINC000708688000 712196807 /nfs/dbraw/zinc/19/68/07/712196807.db2.gz XRFLFYLFGXSHGU-YPMHNXCESA-N 1 0 237.347 0.913 10 0 BCAERO COC(CC[N@@H+]1C[C@@H](C)[C@H](CO)C1)OC ZINC000708686202 712196835 /nfs/dbraw/zinc/19/68/35/712196835.db2.gz GSGQNBQBKOJEKU-ZJUUUORDSA-N 1 0 217.309 0.556 10 0 BCAERO C[C@H]1CN(C(=O)C(C)(C)F)C[C@H]1C[NH3+] ZINC000708825581 712200329 /nfs/dbraw/zinc/20/03/29/712200329.db2.gz KKIYSWSQBJBSEM-JGVFFNPUSA-N 1 0 202.273 0.788 10 0 BCAERO C[C@@H]1CN(C(=O)C[C@@H]2CCCCO2)C[C@@H]1C[NH3+] ZINC000708856508 712201214 /nfs/dbraw/zinc/20/12/14/712201214.db2.gz UCXVUAZLWJPZMD-WOPDTQHZSA-N 1 0 240.347 0.999 10 0 BCAERO C[C@@H]1CN(C[C@H](O)C(F)(F)F)C[C@@H]1C[NH3+] ZINC000708860916 712201255 /nfs/dbraw/zinc/20/12/55/712201255.db2.gz FOURIQISWRADBZ-CSMHCCOUSA-N 1 0 226.242 0.436 10 0 BCAERO C[C@@H]1CN(C(=O)/C=C/c2cnn(C)c2)C[C@H]1C[NH3+] ZINC000708893802 712202757 /nfs/dbraw/zinc/20/27/57/712202757.db2.gz NVBNSOZNOIYADN-ISBNUJHVSA-N 1 0 248.330 0.487 10 0 BCAERO CO[C@H]1CN(Cc2cc[nH]n2)[C@@](C)(C[NH3+])C1 ZINC000708971754 712204639 /nfs/dbraw/zinc/20/46/39/712204639.db2.gz KJCQNGMQSYUIOG-GHMZBOCLSA-N 1 0 224.308 0.348 10 0 BCAERO CO[C@H]1C[C@@H](CNC(=O)C2CC([NH3+])C2)C1 ZINC000709025549 712205757 /nfs/dbraw/zinc/20/57/57/712205757.db2.gz KYNLPWMUULESAP-RZEHBIPHSA-N 1 0 212.293 0.265 10 0 BCAERO CC(C)OC[C@@H](O)CN1CCCCC[C@H]([NH3+])C1 ZINC000709017031 712206239 /nfs/dbraw/zinc/20/62/39/712206239.db2.gz VBBMVPWUEXTGQZ-STQMWFEESA-N 1 0 244.379 0.976 10 0 BCAERO COC(=O)[C@@H]1C[N@H+](C[C@H]2COCCO2)C[C@@H]1C ZINC000708558249 712212661 /nfs/dbraw/zinc/21/26/61/712212661.db2.gz ZUPCKZAFAXQWNK-GARJFASQSA-N 1 0 243.303 0.143 10 0 BCAERO C[C@H]([NH2+]C1CC(CO)C1)c1cn(C)cn1 ZINC000709910111 712232164 /nfs/dbraw/zinc/23/21/64/712232164.db2.gz DAIZELPSGMRFTI-IDKOKCKLSA-N 1 0 209.293 0.842 10 0 BCAERO C[C@@H]([NH2+]C1CC(CO)C1)c1cn(C)cn1 ZINC000709910116 712232373 /nfs/dbraw/zinc/23/23/73/712232373.db2.gz DAIZELPSGMRFTI-XNWIYYODSA-N 1 0 209.293 0.842 10 0 BCAERO C[C@H]1OCC[C@@H]1NC(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000710945737 712267159 /nfs/dbraw/zinc/26/71/59/712267159.db2.gz WDWDVWODMKZFLM-DBIOUOCHSA-N 1 0 226.320 0.798 10 0 BCAERO COC1(OC)CC[C@@H]1[NH2+][C@@H]1CCCNC1=O ZINC000711041723 712276222 /nfs/dbraw/zinc/27/62/22/712276222.db2.gz OCEMCZGFEKMPBJ-BDAKNGLRSA-N 1 0 228.292 0.006 10 0 BCAERO C[C@@H](C(N)=O)N(C)C(=O)CC[NH2+]C(C)(C)C ZINC000711086521 712279321 /nfs/dbraw/zinc/27/93/21/712279321.db2.gz BIARTVXMTDTJDG-QMMMGPOBSA-N 1 0 229.324 0.097 10 0 BCAERO C[C@H](C(N)=O)N(C)C(=O)CC[NH2+]C(C)(C)C ZINC000711122187 712285052 /nfs/dbraw/zinc/28/50/52/712285052.db2.gz BIARTVXMTDTJDG-MRVPVSSYSA-N 1 0 229.324 0.097 10 0 BCAERO CC1(CNC(=O)[C@H]2C[NH2+]CC2(C)C)COC1 ZINC000711216553 712289560 /nfs/dbraw/zinc/28/95/60/712289560.db2.gz SVTABDRJFFKQMC-SECBINFHSA-N 1 0 226.320 0.385 10 0 BCAERO C[C@H](O)CCNC(=O)[C@H]1C[NH2+]CC1(C)C ZINC000711236513 712290575 /nfs/dbraw/zinc/29/05/75/712290575.db2.gz HLWVKGQHCFSYJZ-DTWKUNHWSA-N 1 0 214.309 0.119 10 0 BCAERO CO[C@H]1CN(CCOC2CC2)[C@@](C)(C[NH3+])C1 ZINC000711776069 712328026 /nfs/dbraw/zinc/32/80/26/712328026.db2.gz DWVQFGCQMAYFFC-VXGBXAGGSA-N 1 0 228.336 0.604 10 0 BCAERO C(CN1CC[C@H]2OCC[NH2+][C@@H]2C1)OC1CC1 ZINC000711775709 712328429 /nfs/dbraw/zinc/32/84/29/712328429.db2.gz AXYGFHSXVCITPZ-VXGBXAGGSA-N 1 0 226.320 0.228 10 0 BCAERO C[NH2+][C@@H](C)CNC(=O)Cc1csc(C)n1 ZINC000700772025 712355703 /nfs/dbraw/zinc/35/57/03/712355703.db2.gz LXOCMAYCMAQZCN-ZETCQYMHSA-N 1 0 227.333 0.718 10 0 BCAERO Cc1n[nH]cc1CN1C[C@@H](F)C[C@H]1C[NH3+] ZINC000378729139 712358773 /nfs/dbraw/zinc/35/87/73/712358773.db2.gz KEPLLHACBNCVTA-UWVGGRQHSA-N 1 0 212.272 0.589 10 0 BCAERO COC(C)(C)[C@@H](C)[NH2+]C[C@H]1CNC(=O)O1 ZINC000378770784 712360543 /nfs/dbraw/zinc/36/05/43/712360543.db2.gz FTDWGNDKLOCCMX-SFYZADRCSA-N 1 0 216.281 0.498 10 0 BCAERO C[C@@H]([NH2+]Cc1cnn(C)c1Cl)[C@H](C)O ZINC000378847464 712365985 /nfs/dbraw/zinc/36/59/85/712365985.db2.gz AVCJIQHXMWWEBB-RQJHMYQMSA-N 1 0 217.700 0.932 10 0 BCAERO CC[NH+](CC)[C@@H](C)CNCc1cnn(C)n1 ZINC000378854768 712367068 /nfs/dbraw/zinc/36/70/68/712367068.db2.gz JDSNSZHLHNZPJM-JTQLQIEISA-N 1 0 225.340 0.635 10 0 BCAERO CC[C@H](NC(=O)CC[NH2+]C(C)(C)C)C(N)=O ZINC000379232367 712371241 /nfs/dbraw/zinc/37/12/41/712371241.db2.gz PPAHCJNCFRLZLW-QMMMGPOBSA-N 1 0 229.324 0.145 10 0 BCAERO CCCCOC[C@H](O)CN1CC[NH2+][C@H](C)[C@@H]1C ZINC000379475144 712385367 /nfs/dbraw/zinc/38/53/67/712385367.db2.gz ZEBXRKYFKMXIOG-FRRDWIJNSA-N 1 0 244.379 0.846 10 0 BCAERO CCCC[NH2+]C1CCN(CCO)CC1 ZINC000379577496 712388570 /nfs/dbraw/zinc/38/85/70/712388570.db2.gz QXQQHKGIYDMPFE-UHFFFAOYSA-N 1 0 200.326 0.833 10 0 BCAERO CCCCOC[C@H](O)C[NH2+]C[C@@H]1CCN1CC ZINC000712581456 712433342 /nfs/dbraw/zinc/43/33/42/712433342.db2.gz VIRPYTWZJXBSAX-QWHCGFSZSA-N 1 0 244.379 0.848 10 0 BCAERO Cc1c(C[NH2+]C[C@H]2CCN2C)cnn1C ZINC000712603740 712436651 /nfs/dbraw/zinc/43/66/51/712436651.db2.gz BDVYWOCVUZQIIR-LLVKDONJSA-N 1 0 208.309 0.522 10 0 BCAERO [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N[C@@H]2CCC[C@@H](O)C2)C1 ZINC000713227304 712455689 /nfs/dbraw/zinc/45/56/89/712455689.db2.gz VKPDCZBMCBFFSX-ZZZDWPBISA-N 1 0 238.331 0.534 10 0 BCAERO CCn1cc(NC(=O)[C@H]2CO[C@H](C[NH3+])C2)cn1 ZINC000713801418 712471726 /nfs/dbraw/zinc/47/17/26/712471726.db2.gz GDNSPFCHVGPANT-SCZZXKLOSA-N 1 0 238.291 0.205 10 0 BCAERO CCn1cc(NC(=O)[C@@H]2CO[C@@H](C[NH3+])C2)cn1 ZINC000713801419 712471889 /nfs/dbraw/zinc/47/18/89/712471889.db2.gz GDNSPFCHVGPANT-WCBMZHEXSA-N 1 0 238.291 0.205 10 0 BCAERO [NH3+]C[C@H]1C[C@@H](C(=O)Nc2nccs2)CO1 ZINC000713887781 712472280 /nfs/dbraw/zinc/47/22/80/712472280.db2.gz NDYGXLKCERYXMU-RNFRBKRXSA-N 1 0 227.289 0.445 10 0 BCAERO [NH3+]C[C@@H]1C[C@H](C(=O)NCC(F)(F)F)CO1 ZINC000713776542 712472514 /nfs/dbraw/zinc/47/25/14/712472514.db2.gz XGBUYSDZVQPCJW-WDSKDSINSA-N 1 0 226.198 0.029 10 0 BCAERO [NH3+]C[C@H]1C[C@@H](C(=O)Nc2ccccc2)CO1 ZINC000713890790 712472558 /nfs/dbraw/zinc/47/25/58/712472558.db2.gz ZFVDBUSGNCNZEP-MWLCHTKSSA-N 1 0 220.272 0.989 10 0 BCAERO [NH3+]C[C@H]1C[C@H](C(=O)NC2CCCC2)CO1 ZINC000713876515 712472603 /nfs/dbraw/zinc/47/26/03/712472603.db2.gz YQSJVONHBWZDTE-WCBMZHEXSA-N 1 0 212.293 0.409 10 0 BCAERO C[C@H](NC(=O)[C@@H]1CO[C@@H](C[NH3+])C1)C1CC1 ZINC000713861631 712473285 /nfs/dbraw/zinc/47/32/85/712473285.db2.gz VPHZFHCWZDSWKA-UJNFCWOMSA-N 1 0 212.293 0.265 10 0 BCAERO COCC1CC(NC(=O)[C@H](C)[C@H](C)[NH3+])C1 ZINC000713930010 712473762 /nfs/dbraw/zinc/47/37/62/712473762.db2.gz GCQYSZGAWQJTBB-XHHQTKHESA-N 1 0 214.309 0.511 10 0 BCAERO COCC1CC(NC(=O)[C@H]2CC[C@H]([NH3+])C2)C1 ZINC000713934205 712473925 /nfs/dbraw/zinc/47/39/25/712473925.db2.gz DSULTEXSXIBJCI-SEQHWMEXSA-N 1 0 226.320 0.655 10 0 BCAERO COCC1CC(NC(=O)[C@@H]2CCC[NH2+][C@@H]2C)C1 ZINC000713976986 712475370 /nfs/dbraw/zinc/47/53/70/712475370.db2.gz IUWHZLVWRZDPNJ-HBIQZDMRSA-N 1 0 240.347 0.916 10 0 BCAERO CC[C@H]([NH2+]C)C(=O)NC1CC(COC)C1 ZINC000713983636 712475922 /nfs/dbraw/zinc/47/59/22/712475922.db2.gz QIPSVBDJNJGJOQ-RTBKNWGFSA-N 1 0 214.309 0.526 10 0 BCAERO CC[NH2+][C@@H](C)C(=O)NC1CC(COC)C1 ZINC000713996349 712476899 /nfs/dbraw/zinc/47/68/99/712476899.db2.gz SHUOFPKZPBMRET-IDKOKCKLSA-N 1 0 214.309 0.526 10 0 BCAERO COCC1CC([NH2+]Cc2cncn2C)C1 ZINC000713995701 712477047 /nfs/dbraw/zinc/47/70/47/712477047.db2.gz KHAUMLMVWWLYQN-UHFFFAOYSA-N 1 0 209.293 0.935 10 0 BCAERO [NH3+]C[C@H]1C[C@@H](c2nc(CC3CC3)no2)CO1 ZINC000714076720 712477777 /nfs/dbraw/zinc/47/77/77/712477777.db2.gz LTKBLYKXAGMSSL-RKDXNWHRSA-N 1 0 223.276 0.853 10 0 BCAERO [NH3+]C[C@@H]1C[C@H](c2nc(CC3CC3)no2)CO1 ZINC000714076719 712477962 /nfs/dbraw/zinc/47/79/62/712477962.db2.gz LTKBLYKXAGMSSL-IUCAKERBSA-N 1 0 223.276 0.853 10 0 BCAERO [NH3+]C[C@H]1C[C@H](c2nc(C3CC3)no2)CO1 ZINC000714074149 712477985 /nfs/dbraw/zinc/47/79/85/712477985.db2.gz CLDSEFLQYPXUHM-JGVFFNPUSA-N 1 0 209.249 0.778 10 0 BCAERO [NH3+]C[C@@H]1C[C@@H](c2nc(-c3ccncc3)no2)CO1 ZINC000714063384 712478076 /nfs/dbraw/zinc/47/80/76/712478076.db2.gz JZBXXWJCNMBXFY-ZJUUUORDSA-N 1 0 246.270 0.963 10 0 BCAERO CCCn1cc(C[NH2+][C@H](C)[C@@H](C)O)nn1 ZINC000714418356 712486208 /nfs/dbraw/zinc/48/62/08/712486208.db2.gz XGVPVVDTHLBVPJ-RKDXNWHRSA-N 1 0 212.297 0.547 10 0 BCAERO CCCn1cc(C[NH2+][C@H]2CCO[C@@H]2C)nn1 ZINC000714479898 712491924 /nfs/dbraw/zinc/49/19/24/712491924.db2.gz WDHSRSXXHKMTQP-KOLCDFICSA-N 1 0 224.308 0.955 10 0 BCAERO CCC1([NH3+])CCN(c2nccn(C)c2=O)CC1 ZINC000714752544 712497070 /nfs/dbraw/zinc/49/70/70/712497070.db2.gz WNNDYOUQXHHCMR-UHFFFAOYSA-N 1 0 236.319 0.488 10 0 BCAERO CCn1cc(C[NH2+][C@@H]2CCC(=O)N[C@H]2C)nn1 ZINC000714912299 712499700 /nfs/dbraw/zinc/49/97/00/712499700.db2.gz PDQZTGGXMHATNB-WCBMZHEXSA-N 1 0 237.307 0.055 10 0 BCAERO CCn1cc(C[NH2+]C2CC(COC)C2)nn1 ZINC000714918773 712500047 /nfs/dbraw/zinc/50/00/47/712500047.db2.gz VZPSNAWAIGJERL-UHFFFAOYSA-N 1 0 224.308 0.813 10 0 BCAERO O=S(=O)(CCCC1CC1)NC[C@@H]1CC[NH2+]C1 ZINC000715056835 712505372 /nfs/dbraw/zinc/50/53/72/712505372.db2.gz SOCNJWXSCDQUSU-LLVKDONJSA-N 1 0 246.376 0.706 10 0 BCAERO CSC[C@@H](C)C(=O)NCC1CC([NH3+])C1 ZINC000715073014 712505970 /nfs/dbraw/zinc/50/59/70/712505970.db2.gz DXUDGZMFOOELDZ-AFPNSQJFSA-N 1 0 216.350 0.839 10 0 BCAERO CC[C@H]([NH3+])C(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000036871036 712506567 /nfs/dbraw/zinc/50/65/67/712506567.db2.gz IVSSQZMOHIWCKA-HLTSFMKQSA-N 1 0 200.282 0.360 10 0 BCAERO C[C@@H](C(=O)NCC1CC([NH3+])C1)n1cccn1 ZINC000715080601 712507310 /nfs/dbraw/zinc/50/73/10/712507310.db2.gz GGABLPJMMSHJOV-IDKOKCKLSA-N 1 0 222.292 0.298 10 0 BCAERO Cc1nnc2c(NC[C@H]3C[C@H]([NH3+])C3)nccn12 ZINC000715086055 712507672 /nfs/dbraw/zinc/50/76/72/712507672.db2.gz PFULPRUZTJDQNN-KYZUINATSA-N 1 0 232.291 0.582 10 0 BCAERO Cn1ncc(NCC2CC([NH3+])C2)c(Cl)c1=O ZINC000715093017 712507897 /nfs/dbraw/zinc/50/78/97/712507897.db2.gz JZINAQLUAWMCJM-UHFFFAOYSA-N 1 0 242.710 0.583 10 0 BCAERO Cn1ncc(NC[C@H]2C[C@@H]([NH3+])C2)c(Cl)c1=O ZINC000715152151 712512664 /nfs/dbraw/zinc/51/26/64/712512664.db2.gz JZINAQLUAWMCJM-KNVOCYPGSA-N 1 0 242.710 0.583 10 0 BCAERO COc1cc(C)nc(NC[C@H]2C[C@@H]([NH3+])C2)n1 ZINC000715152078 712512983 /nfs/dbraw/zinc/51/29/83/712512983.db2.gz JCPBGJARESFTCZ-DTORHVGOSA-N 1 0 222.292 0.943 10 0 BCAERO O=C(NC1CCCC1)[C@]12C[NH2+]C[C@H]1COCC2 ZINC000715436279 712518884 /nfs/dbraw/zinc/51/88/84/712518884.db2.gz DJMNRVJMPDPDLP-GXFFZTMASA-N 1 0 238.331 0.671 10 0 BCAERO [NH3+]Cc1cn(C[C@H]2CC[C@@H](C3CC3)O2)nn1 ZINC000715466006 712519786 /nfs/dbraw/zinc/51/97/86/712519786.db2.gz WKUVXGDTMCPLGM-MNOVXSKESA-N 1 0 222.292 0.694 10 0 BCAERO CC(C)[C@H](C)NC(=O)[C@]12C[NH2+]C[C@H]1COCC2 ZINC000715468178 712520464 /nfs/dbraw/zinc/52/04/64/712520464.db2.gz SFVKJAZDPFZLOS-GMXVVIOVSA-N 1 0 240.347 0.773 10 0 BCAERO O=C(NCc1nc[nH]n1)[C@]12C[NH2+]C[C@H]1CCCC2 ZINC000715486290 712521364 /nfs/dbraw/zinc/52/13/64/712521364.db2.gz PVXCYDULMPSELL-BXKDBHETSA-N 1 0 249.318 0.201 10 0 BCAERO COC[C@H](C)NC(=O)[C@]12C[NH2+]C[C@H]1CCCC2 ZINC000715338651 712521422 /nfs/dbraw/zinc/52/14/22/712521422.db2.gz BLYLYTRTADYGCG-DMDPSCGWSA-N 1 0 240.347 0.917 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)N1C[C@H]2[C@@H](C1)C2(F)F ZINC000715493750 712523387 /nfs/dbraw/zinc/52/33/87/712523387.db2.gz RTBBAMPFOCHFCC-GJMOJQLCSA-N 1 0 218.247 0.837 10 0 BCAERO [NH3+][C@@H]1CC[C@@H](C(=O)N2C[C@H]3[C@@H](C2)C3(F)F)C1 ZINC000715502835 712523965 /nfs/dbraw/zinc/52/39/65/712523965.db2.gz XNYPWZXBAYKSFS-BGZDPUMWSA-N 1 0 230.258 0.837 10 0 BCAERO [NH3+]CCCCCC(=O)N[C@@H]1CCC[C@H](O)C1 ZINC000037001023 712528706 /nfs/dbraw/zinc/52/87/06/712528706.db2.gz PHEYMMJZOOPTQE-MNOVXSKESA-N 1 0 228.336 0.925 10 0 BCAERO C[C@H]1[C@H](O)CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC000715840894 712533174 /nfs/dbraw/zinc/53/31/74/712533174.db2.gz AHXQTBRTWSPOLG-WDEREUQCSA-N 1 0 238.331 0.454 10 0 BCAERO O=C(NC[C@H]1CCC[C@H]1O)C12CC[NH+](CC1)C2 ZINC000715817361 712533384 /nfs/dbraw/zinc/53/33/84/712533384.db2.gz IFWUMLWGCPVJQZ-GHMZBOCLSA-N 1 0 238.331 0.359 10 0 BCAERO C[C@H]([NH2+]C[C@H]1CCO[C@H]1C)c1cn(C)nn1 ZINC000715885826 712539765 /nfs/dbraw/zinc/53/97/65/712539765.db2.gz UIIKIKBNKVWRFC-LPEHRKFASA-N 1 0 224.308 0.891 10 0 BCAERO CS(=O)(=O)C1CC([NH2+][C@@H]2CCC[C@@H](O)C2)C1 ZINC000716082473 712550238 /nfs/dbraw/zinc/55/02/38/712550238.db2.gz BYNLNTAGGCOTES-BZCXBAJXSA-N 1 0 247.360 0.455 10 0 BCAERO CS(=O)(=O)C1CC([NH2+]Cc2ccccn2)C1 ZINC000716094172 712550253 /nfs/dbraw/zinc/55/02/53/712550253.db2.gz YYQBBMXGDBUKFB-UHFFFAOYSA-N 1 0 240.328 0.747 10 0 BCAERO NC(=O)C1CC([NH2+]Cc2cnn3ccccc23)C1 ZINC000716715370 712570785 /nfs/dbraw/zinc/57/07/85/712570785.db2.gz HEPVYKVUWXMCQA-UHFFFAOYSA-N 1 0 244.298 0.688 10 0 BCAERO NC(=O)C1CC([NH2+][C@@H]2CO[C@@H](C3CC3)C2)C1 ZINC000716722403 712570866 /nfs/dbraw/zinc/57/08/66/712570866.db2.gz JBBMMFXTQQQZIN-WFBLGPOFSA-N 1 0 224.304 0.407 10 0 BCAERO Cc1cc(C[NH2+]C2CC(C(N)=O)C2)on1 ZINC000716730713 712571102 /nfs/dbraw/zinc/57/11/02/712571102.db2.gz HBNQZQGECUCGMA-UHFFFAOYSA-N 1 0 209.249 0.337 10 0 BCAERO CC[C@H]1C[C@H]([NH2+]C2CC(C(N)=O)C2)CO1 ZINC000716731314 712571359 /nfs/dbraw/zinc/57/13/59/712571359.db2.gz KTBBDGSBVJNUMN-QLEHZGMVSA-N 1 0 212.293 0.407 10 0 BCAERO CCOC1CC([NH2+]C2CC(C(N)=O)C2)C1 ZINC000716740231 712571616 /nfs/dbraw/zinc/57/16/16/712571616.db2.gz ICJRTUOVDPCTKW-UHFFFAOYSA-N 1 0 212.293 0.407 10 0 BCAERO C[C@H]([NH2+]C1CC(C(N)=O)C1)c1ccnn1C ZINC000716755882 712572340 /nfs/dbraw/zinc/57/23/40/712572340.db2.gz UKUNWCQMWQFYAS-UEJVZZJDSA-N 1 0 222.292 0.335 10 0 BCAERO CCn1cncc1C[NH2+]C1CC(C(N)=O)C1 ZINC000716759209 712572568 /nfs/dbraw/zinc/57/25/68/712572568.db2.gz FTXLRKUKNRFKLP-UHFFFAOYSA-N 1 0 222.292 0.257 10 0 BCAERO CC(C)n1cc(C[NH2+]C2CC(C(N)=O)C2)cn1 ZINC000716782076 712573279 /nfs/dbraw/zinc/57/32/79/712573279.db2.gz AAUDQDMQALQXBY-UHFFFAOYSA-N 1 0 236.319 0.818 10 0 BCAERO C[C@@H]([NH3+])CN(C)c1ccc([N+](=O)[O-])cn1 ZINC000379810432 712605726 /nfs/dbraw/zinc/60/57/26/712605726.db2.gz PKBXBVQMZANXNG-SSDOTTSWSA-N 1 0 210.237 0.773 10 0 BCAERO C[C@@H]1CN(C(=O)C[C@@H]2CC(C)(C)CO2)C[C@@H]1[NH3+] ZINC000717091508 712630053 /nfs/dbraw/zinc/63/00/53/712630053.db2.gz LUSJVSYXDQPSBR-MXWKQRLJSA-N 1 0 240.347 0.997 10 0 BCAERO CC1(C)CO[C@H](CC(=O)NC[C@@H]2CC[NH2+]C2)C1 ZINC000717087189 712630185 /nfs/dbraw/zinc/63/01/85/712630185.db2.gz ALHWVCDJJQNEHI-GHMZBOCLSA-N 1 0 240.347 0.917 10 0 BCAERO COCC1CC(NC(=O)CC[NH2+]CC2CC2)C1 ZINC000717163479 712638327 /nfs/dbraw/zinc/63/83/27/712638327.db2.gz FDGWAIVKJJRSEX-UHFFFAOYSA-N 1 0 240.347 0.917 10 0 BCAERO CC1(C)CO[C@@H](CNC(=O)[C@H]2CC[NH2+]C2)C1 ZINC000717570714 712661022 /nfs/dbraw/zinc/66/10/22/712661022.db2.gz UQIXCLYQIWSURB-VHSXEESVSA-N 1 0 226.320 0.527 10 0 BCAERO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)COC1CC1 ZINC000717662346 712663476 /nfs/dbraw/zinc/66/34/76/712663476.db2.gz AIBHVOOIDRLUGD-SCZZXKLOSA-N 1 0 212.293 0.409 10 0 BCAERO CCC1(C(=O)NCC[C@@H](C)[NH3+])COC1 ZINC000380011980 712670014 /nfs/dbraw/zinc/67/00/14/712670014.db2.gz MFJKTSGQHGGJHA-MRVPVSSYSA-N 1 0 200.282 0.267 10 0 BCAERO CCc1noc([C@]23C[NH2+]C[C@H]2CN(C)CC3)n1 ZINC000950757262 712726324 /nfs/dbraw/zinc/72/63/24/712726324.db2.gz NBOPIOIUNSXYHE-JOYOIKCWSA-N 1 0 236.319 0.425 10 0 BCAERO [NH3+][C@@H]1CCC[C@@H](C(=O)NC[C@H]2CCC[C@@H]2O)C1 ZINC000718021674 712736927 /nfs/dbraw/zinc/73/69/27/712736927.db2.gz SRYYGLUAFLGDLB-KKOKHZNYSA-N 1 0 240.347 0.781 10 0 BCAERO [NH3+]C1CC(CC(=O)N[C@H]2CCC[C@@H](O)C2)C1 ZINC000718049737 712738549 /nfs/dbraw/zinc/73/85/49/712738549.db2.gz IIYXWIXGPFJRAU-WFBLGPOFSA-N 1 0 226.320 0.534 10 0 BCAERO [NH3+]C1CC(CC(=O)N[C@@H]2CCC[C@H](O)C2)C1 ZINC000718049733 712738699 /nfs/dbraw/zinc/73/86/99/712738699.db2.gz IIYXWIXGPFJRAU-LXKPXOPUSA-N 1 0 226.320 0.534 10 0 BCAERO Cc1coc(C[NH2+][C@@H]2CCOC[C@@H]2O)c1 ZINC000718069232 712740863 /nfs/dbraw/zinc/74/08/63/712740863.db2.gz BSMOSJQNQQTEEU-MNOVXSKESA-N 1 0 211.261 0.827 10 0 BCAERO C[C@@H]1CO[C@@H](C(=O)N2CCCC[C@H]2C[NH3+])C1 ZINC000718382206 712758123 /nfs/dbraw/zinc/75/81/23/712758123.db2.gz DFRRNTRAGVZKPO-GARJFASQSA-N 1 0 226.320 0.751 10 0 BCAERO C[NH2+][C@H](C)CNC(=O)[C@H]1C[C@@H](C)CO1 ZINC000718475187 712764471 /nfs/dbraw/zinc/76/44/71/712764471.db2.gz GTZPJANZIATMSU-IWSPIJDZSA-N 1 0 200.282 0.136 10 0 BCAERO C[C@@H]1CO[C@H](C(=O)N2CC[C@@H]([NH3+])[C@@H]2C)C1 ZINC000718475240 712764715 /nfs/dbraw/zinc/76/47/15/712764715.db2.gz HEQNLTULZXITER-QEYWKRMJSA-N 1 0 212.293 0.360 10 0 BCAERO C[C@@H]1CN(C(=O)[C@@H]2C[C@H](C)CO2)C[C@@H]1[NH3+] ZINC000718474830 712764904 /nfs/dbraw/zinc/76/49/04/712764904.db2.gz GDLCREFHEPBOQO-JXUBOQSCSA-N 1 0 212.293 0.217 10 0 BCAERO C[C@@H]1CO[C@@H](C(=O)NC[C@H]2CC[NH2+]C2)C1 ZINC000718476017 712766706 /nfs/dbraw/zinc/76/67/06/712766706.db2.gz KHBQLQCBQZOHNM-LPEHRKFASA-N 1 0 212.293 0.137 10 0 BCAERO Cc1c(C[NH2+][C@H]2CCN(C)[C@@H]2C)cnn1C ZINC000719576641 712811975 /nfs/dbraw/zinc/81/19/75/712811975.db2.gz AHDJCPNPFGYMMQ-PWSUYJOCSA-N 1 0 222.336 0.911 10 0 BCAERO C[C@H]1[C@@H]([NH2+][C@@H]2CCCC[C@H]2O)CCN1C ZINC000719604055 712815840 /nfs/dbraw/zinc/81/58/40/712815840.db2.gz VFEVFFOVKQFEHA-NNYUYHANSA-N 1 0 212.337 0.972 10 0 BCAERO C[C@]1(C(=O)NC[C@@H]2CCC[C@H]2O)CC[NH2+]C1 ZINC000250807471 712834622 /nfs/dbraw/zinc/83/46/22/712834622.db2.gz SAEXHHYUQHZFTG-UMNHJUIQSA-N 1 0 226.320 0.263 10 0 BCAERO Cc1conc1CN1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC000720392341 712838181 /nfs/dbraw/zinc/83/81/81/712838181.db2.gz ZXZAJVNMFCXGHP-NEPJUHHUSA-N 1 0 237.303 0.546 10 0 BCAERO CO[C@@H]1CN(Cc2nocc2C)[C@@](C)(C[NH3+])C1 ZINC000720394248 712838351 /nfs/dbraw/zinc/83/83/51/712838351.db2.gz HQIKNYOXPVWQDO-CMPLNLGQSA-N 1 0 239.319 0.921 10 0 BCAERO C[C@H]([NH3+])CCNC(=O)[C@@H](C)[C@@H]1CCCO1 ZINC000720541238 712850221 /nfs/dbraw/zinc/85/02/21/712850221.db2.gz MURJVBVPCVAQME-GUBZILKMSA-N 1 0 214.309 0.655 10 0 BCAERO C[C@H](C(=O)N1CC[C@H]([NH3+])C1)[C@H]1CCCO1 ZINC000720558732 712850744 /nfs/dbraw/zinc/85/07/44/712850744.db2.gz YICOAMDYIVOHHY-LPEHRKFASA-N 1 0 212.293 0.361 10 0 BCAERO Cc1cc(N[C@H](C)c2cn(C)nn2)nc(N)[nH+]1 ZINC000720572391 712852632 /nfs/dbraw/zinc/85/26/32/712852632.db2.gz IVNFCKXHELRJAZ-SSDOTTSWSA-N 1 0 233.279 0.669 10 0 BCAERO C[C@H](N[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)c1cn(C)nn1 ZINC000720593724 712856466 /nfs/dbraw/zinc/85/64/66/712856466.db2.gz AVEMHNMHKKFNPY-OPPOILRSSA-N 1 0 247.346 0.462 10 0 BCAERO C[C@@H](N[C@@H](C)c1cn(C)nn1)[C@@H]1CC[NH2+]C1 ZINC000720604335 712857827 /nfs/dbraw/zinc/85/78/27/712857827.db2.gz ZQONNFWRMXPSMM-KXUCPTDWSA-N 1 0 223.324 0.464 10 0 BCAERO C[NH2+]CCN(CCC(=O)OC)C(C)C ZINC000720774454 712864816 /nfs/dbraw/zinc/86/48/16/712864816.db2.gz LWONVYUUMDGQRZ-UHFFFAOYSA-N 1 0 202.298 0.479 10 0 BCAERO C[NH2+]CCN(c1cc(OC)ncn1)C(C)C ZINC000720799071 712866448 /nfs/dbraw/zinc/86/64/48/712866448.db2.gz KSVZNUZAWJIKMV-UHFFFAOYSA-N 1 0 224.308 0.919 10 0 BCAERO [NH3+][C@@H]1CN(C[C@@H]2CCCO2)C[C@H]1C(F)(F)F ZINC000720879056 712872516 /nfs/dbraw/zinc/87/25/16/712872516.db2.gz ISHJMSJNQMSTCT-DJLDLDEBSA-N 1 0 238.253 0.987 10 0 BCAERO C[C@H](NC(=O)[C@@H]1[C@@H]2CC[NH2+]C[C@@H]21)C1CC1 ZINC000720953070 712882546 /nfs/dbraw/zinc/88/25/46/712882546.db2.gz IGZFNCCCGOLAEW-CDEVMZEPSA-N 1 0 208.305 0.757 10 0 BCAERO C[C@H](O)CCNC(=O)CC(C)(C)C[NH3+] ZINC000721158062 712893272 /nfs/dbraw/zinc/89/32/72/712893272.db2.gz HQNDZAZSWCRFMI-QMMMGPOBSA-N 1 0 202.298 0.249 10 0 BCAERO CCS(=O)(=O)[C@@H]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000685955357 538900393 /nfs/dbraw/zinc/90/03/93/538900393.db2.gz YHRLGORVADPCSY-DJLDLDEBSA-N 1 0 205.323 0.937 10 0 BCAERO CN1CC[C@H]([NH3+])C12CN(C(=O)OC(C)(C)C)C2 ZINC000685955218 538900661 /nfs/dbraw/zinc/90/06/61/538900661.db2.gz WJETZRUSILRLGW-VIFPVBQESA-N 1 0 241.335 0.639 10 0 BCAERO CCS(=O)(=O)[C@@H]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000685955359 538900672 /nfs/dbraw/zinc/90/06/72/538900672.db2.gz YHRLGORVADPCSY-IWSPIJDZSA-N 1 0 205.323 0.937 10 0 BCAERO CC[N@@H+]1CC[C@@H](N)[C@]12CN1CCC2CC1 ZINC000685955263 538900788 /nfs/dbraw/zinc/90/07/88/538900788.db2.gz WYUSERNHGQMRDE-VXGBXAGGSA-N 1 0 209.337 0.504 10 0 BCAERO CNCC(F)(F)CO[C@@H](C)C[NH+](C)C ZINC000685956575 538903018 /nfs/dbraw/zinc/90/30/18/538903018.db2.gz GHOWWVPCJZHARS-QMMMGPOBSA-N 1 0 210.268 0.808 10 0 BCAERO CNCC(F)(F)CO[C@H](C)C[NH+](C)C ZINC000685956572 538903140 /nfs/dbraw/zinc/90/31/40/538903140.db2.gz GHOWWVPCJZHARS-MRVPVSSYSA-N 1 0 210.268 0.808 10 0 BCAERO CNCC(F)(F)CN1CCOC[C@@H]1C ZINC000685957026 538903913 /nfs/dbraw/zinc/90/39/13/538903913.db2.gz KMMRYASZQPEKJW-QMMMGPOBSA-N 1 0 208.252 0.562 10 0 BCAERO O=S1(=O)CC[C@H]([C@H](CO)CC[NH2+]C2CC2)C1 ZINC000685963447 538910153 /nfs/dbraw/zinc/91/01/53/538910153.db2.gz OORHLFSNROLSIF-UWVGGRQHSA-N 1 0 247.360 0.172 10 0 BCAERO C1=C(c2n[nH]c3c2C[NH2+]CC3)CC[NH2+]C1 ZINC000685952210 538896325 /nfs/dbraw/zinc/89/63/25/538896325.db2.gz APJQNNWYADHKKV-UHFFFAOYSA-N 1 0 204.277 0.432 10 0 BCAERO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)[C@@H]1CCOC1)C2 ZINC000685952487 538896472 /nfs/dbraw/zinc/89/64/72/538896472.db2.gz MVGWOPBKXIYEES-ZDCRXTMVSA-N 1 0 224.304 0.361 10 0 BCAERO CCOC(=O)c1n[nH]nc1[C@@H]1CC[NH2+][C@H]1C ZINC000685952719 538896697 /nfs/dbraw/zinc/89/66/97/538896697.db2.gz COLJWYQKAGAPBD-NKWVEPMBSA-N 1 0 224.264 0.447 10 0 BCAERO COc1cc(C[NH2+]CC(C)(C)O)ccn1 ZINC000062070145 349437313 /nfs/dbraw/zinc/43/73/13/349437313.db2.gz MDILEVOOCQJOMR-UHFFFAOYSA-N 1 0 210.277 0.951 10 0 BCAERO CC(C)(C)NC(=O)N1CCC2(C[NH2+]C2)C1 ZINC000675054816 538915265 /nfs/dbraw/zinc/91/52/65/538915265.db2.gz ZPNVFJGTIYCWAK-UHFFFAOYSA-N 1 0 211.309 0.790 10 0 BCAERO N[C@H]1CS(=O)(=O)c2cc(F)ccc21 ZINC000685965658 538912604 /nfs/dbraw/zinc/91/26/04/538912604.db2.gz NSPPSDQIECTAKR-ZETCQYMHSA-N 1 0 201.222 0.613 10 0 BCAERO CC(C)CCC1(C(=O)NCCO)CC[NH2+]CC1 ZINC000616587738 349452533 /nfs/dbraw/zinc/45/25/33/349452533.db2.gz AIJDXADSBFHBNK-UHFFFAOYSA-N 1 0 242.363 0.901 10 0 BCAERO [NH3+][C@H]1CC[C@@H](C(=O)N2CCCOCC2)C1 ZINC000085012919 136211774 /nfs/dbraw/zinc/21/17/74/136211774.db2.gz YEHNEHOSHVSZOI-ZJUUUORDSA-N 1 0 212.293 0.363 10 0 BCAERO C[C@@H]1C[C@@H](C(=O)N2CCC[C@@H]2C[NH3+])CCO1 ZINC000257672626 349471112 /nfs/dbraw/zinc/47/11/12/349471112.db2.gz GXPPVVRGCHHMPD-OUAUKWLOSA-N 1 0 226.320 0.751 10 0 BCAERO Cn1ncc(CC(=O)[C@H]2CC[C@@H]([NH3+])C2)n1 ZINC000307377238 398143978 /nfs/dbraw/zinc/14/39/78/398143978.db2.gz WMMNHMXUKGYLKB-JGVFFNPUSA-N 1 0 208.265 0.054 10 0 BCAERO C[C@@H]1C[C@H](NC(=O)[C@H]2CCC[NH2+]C2)CO1 ZINC000402098533 349472551 /nfs/dbraw/zinc/47/25/51/349472551.db2.gz NIKBGLNUVSEWDM-UTLUCORTSA-N 1 0 212.293 0.280 10 0 BCAERO OCC[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000161578514 349475670 /nfs/dbraw/zinc/47/56/70/349475670.db2.gz ADQUFADPZNWTJY-GFCCVEGCSA-N 1 0 228.336 0.023 10 0 BCAERO CC(C)OC[C@@H](O)C[N@@H+]1CC[C@H](CCO)C1 ZINC000161624323 349477648 /nfs/dbraw/zinc/47/76/48/349477648.db2.gz UQXCTGYGCKYBOB-NEPJUHHUSA-N 1 0 231.336 0.477 10 0 BCAERO CN(C(=O)C[N@@H+]1CC[C@H](CCO)C1)C1CC1 ZINC000161585594 349479858 /nfs/dbraw/zinc/47/98/58/349479858.db2.gz ZXGKBGYYPXSTTG-SNVBAGLBSA-N 1 0 226.320 0.312 10 0 BCAERO CN(C(=O)C[N@@H+]1CC[C@@H](CCO)C1)C1CC1 ZINC000161585742 349480133 /nfs/dbraw/zinc/48/01/33/349480133.db2.gz ZXGKBGYYPXSTTG-JTQLQIEISA-N 1 0 226.320 0.312 10 0 BCAERO CCC(CC)(CO)[NH2+][C@H](C)C(=O)NCCOC ZINC000053070789 168329519 /nfs/dbraw/zinc/32/95/19/168329519.db2.gz PHBUDHSAJSMARW-SNVBAGLBSA-N 1 0 246.351 0.278 10 0 BCAERO CCC(CC)(CO)[NH2+][C@@H](C)C(=O)NCCOC ZINC000053070788 168329645 /nfs/dbraw/zinc/32/96/45/168329645.db2.gz PHBUDHSAJSMARW-JTQLQIEISA-N 1 0 246.351 0.278 10 0 BCAERO CSC[C@H](C)NC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000158818023 136214065 /nfs/dbraw/zinc/21/40/65/136214065.db2.gz MLLISPXZSRAGMJ-HRDYMLBCSA-N 1 0 216.350 0.710 10 0 BCAERO C[C@@H](Nc1nnnn1C)[C@@H]1CCC[NH2+]C1 ZINC000062939404 349502508 /nfs/dbraw/zinc/50/25/08/349502508.db2.gz HOAQZMRDAQCLEH-HTQZYQBOSA-N 1 0 210.285 0.010 10 0 BCAERO [NH3+][C@@H]1CCC[C@H](C(=O)N2C[C@@H]3C[C@@H]3C2)C1 ZINC000379556347 398154503 /nfs/dbraw/zinc/15/45/03/398154503.db2.gz INSIIGCVIKFRQK-UKKRHICBSA-N 1 0 208.305 0.982 10 0 BCAERO Cc1cc(CNC(=O)[C@@H]2CC[NH2+]C2)on1 ZINC000062116652 178014297 /nfs/dbraw/zinc/01/42/97/178014297.db2.gz PERJKYKILOVWLZ-MRVPVSSYSA-N 1 0 209.249 0.209 10 0 BCAERO Cc1cc(C[NH2+][C@@H]2CCO[C@@H]2C)nn1C ZINC000348189036 178035878 /nfs/dbraw/zinc/03/58/78/178035878.db2.gz MVTUTDAOHMSFOQ-MWLCHTKSSA-N 1 0 209.293 0.996 10 0 BCAERO C[C@]1([C@H]2C[NH2+]CCO2)NCCCS1 ZINC000575517141 398173866 /nfs/dbraw/zinc/17/38/66/398173866.db2.gz GLZZRRCIDOJVRE-BDAKNGLRSA-N 1 0 202.323 0.418 10 0 BCAERO Cc1nnc(NC2CC[NH2+]CC2)nc1C ZINC000158970092 398178444 /nfs/dbraw/zinc/17/84/44/398178444.db2.gz GPUDCUDPMDHDSH-UHFFFAOYSA-N 1 0 207.281 0.652 10 0 BCAERO COC[C@@H](NC(=O)[C@@H]1C[NH2+]CCOC1)C(C)C ZINC000643712627 398180371 /nfs/dbraw/zinc/18/03/71/398180371.db2.gz YAPSYQMGXHVUQG-GHMZBOCLSA-N 1 0 244.335 0.010 10 0 BCAERO C[C@@H]1C[C@H](C)N(C(=O)[C@H]2C[NH2+]CCOC2)C1 ZINC000643711518 398180809 /nfs/dbraw/zinc/18/08/09/398180809.db2.gz UKWDWQZXKJGWFF-VWYCJHECSA-N 1 0 226.320 0.479 10 0 BCAERO Cc1cc(C[C@H](C)[NH3+])nc(CS(C)(=O)=O)n1 ZINC000054835206 178057121 /nfs/dbraw/zinc/05/71/21/178057121.db2.gz DVFWKMHFAJPUHR-ZETCQYMHSA-N 1 0 243.332 0.219 10 0 BCAERO Cc1cc(N(C)C[C@@H](C)C[NH3+])n2ncnc2n1 ZINC000042455614 178098294 /nfs/dbraw/zinc/09/82/94/178098294.db2.gz AZSFTRDKNYLKNB-QMMMGPOBSA-N 1 0 234.307 0.464 10 0 BCAERO Cc1cc(N(C)[C@H]2CC[NH2+]C2)nc(C)n1 ZINC000070897340 178102124 /nfs/dbraw/zinc/10/21/24/178102124.db2.gz XKVOYKDONPPWNN-JTQLQIEISA-N 1 0 206.293 0.892 10 0 BCAERO O=C1NC[C@@H](C[NH2+][C@@H]2CCSC2)O1 ZINC000306445043 398197375 /nfs/dbraw/zinc/19/73/75/398197375.db2.gz SCSLLIRNKXLBBK-RNFRBKRXSA-N 1 0 202.279 0.190 10 0 BCAERO C[C@H](NC[C@@H]1CCC[N@@H+]1C)c1nncn1C ZINC000386218905 398200217 /nfs/dbraw/zinc/20/02/17/398200217.db2.gz JIRIUVZSMYCNBU-UWVGGRQHSA-N 1 0 223.324 0.560 10 0 BCAERO Cc1cc(N2CC[C@@](C)(C[NH3+])C2)n2ncnc2n1 ZINC000235972695 178117300 /nfs/dbraw/zinc/11/73/00/178117300.db2.gz YPSBVSOWEAPFNQ-LBPRGKRZSA-N 1 0 246.318 0.608 10 0 BCAERO Cc1cc(N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)nc(C)n1 ZINC000301667413 178121600 /nfs/dbraw/zinc/12/16/00/178121600.db2.gz OZRYXALLWWNCOI-NEPJUHHUSA-N 1 0 248.330 0.613 10 0 BCAERO Cc1n[nH]cc1C(=O)N1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000638892767 398203721 /nfs/dbraw/zinc/20/37/21/398203721.db2.gz XJLUIEQXDMTVKY-CBAPKCEASA-N 1 0 222.292 0.385 10 0 BCAERO CN1CCC[C@H]1C[N@@H+]1CCC[C@@](C)(O)C1 ZINC000386309326 398204135 /nfs/dbraw/zinc/20/41/35/398204135.db2.gz LSGANRNVVJAHKD-NWDGAFQWSA-N 1 0 212.337 0.927 10 0 BCAERO [NH3+]CCN1CC[NH2+]C[C@@H]1c1ccc(C(=O)[O-])cc1 ZINC000616635517 398208250 /nfs/dbraw/zinc/20/82/50/398208250.db2.gz BBBCYVYCBGNSEF-GFCCVEGCSA-N 1 0 249.314 0.290 10 0 BCAERO CCOc1nccnc1N1CC[C@H](C[NH2+]C)C1 ZINC000516030145 398213776 /nfs/dbraw/zinc/21/37/76/398213776.db2.gz NNZPKMRHNKVJES-SNVBAGLBSA-N 1 0 236.319 0.921 10 0 BCAERO C[C@H]([NH3+])Cn1cccc(Br)c1=O ZINC000222876457 398214112 /nfs/dbraw/zinc/21/41/12/398214112.db2.gz LZBHGONTMAQZSL-LURJTMIESA-N 1 0 231.093 0.958 10 0 BCAERO Cc1cc(NC(=O)[C@H]2CCC[NH2+]C2)on1 ZINC000019409474 178147640 /nfs/dbraw/zinc/14/76/40/178147640.db2.gz LGSGTWZKVHAVTR-QMMMGPOBSA-N 1 0 209.249 0.921 10 0 BCAERO Cc1cnc(N2CCO[C@@H]([C@H](C)[NH3+])C2)nc1C ZINC000386688109 398217326 /nfs/dbraw/zinc/21/73/26/398217326.db2.gz RFTCFOPPDKHOEQ-GXSJLCMTSA-N 1 0 236.319 0.646 10 0 BCAERO Cc1cc(NC(=O)[C@H]2C[C@H](F)C[NH2+]2)n(C)n1 ZINC000188214893 178149362 /nfs/dbraw/zinc/14/93/62/178149362.db2.gz XZWWSLMWQZSUHY-JGVFFNPUSA-N 1 0 226.255 0.367 10 0 BCAERO Cc1cc(NCC(C)(C)[NH3+])n2ncnc2n1 ZINC000096470188 178156579 /nfs/dbraw/zinc/15/65/79/178156579.db2.gz WDHFYYREPOQMKL-UHFFFAOYSA-N 1 0 220.280 0.582 10 0 BCAERO CN1CCC[C@H]1C[NH2+]C1(CO)CCOCC1 ZINC000386513945 398211121 /nfs/dbraw/zinc/21/11/21/398211121.db2.gz CITLCTNALHTNNK-NSHDSACASA-N 1 0 228.336 0.212 10 0 BCAERO C[NH2+]C1(CNC(=O)[C@@H]2CC[C@H](C)O2)CCC1 ZINC000386805175 398220175 /nfs/dbraw/zinc/22/01/75/398220175.db2.gz CKZFDCYMSINNJK-UWVGGRQHSA-N 1 0 226.320 0.812 10 0 BCAERO Brc1cnn(C[C@H]2C[NH2+]CCO2)c1 ZINC000070833938 361778212 /nfs/dbraw/zinc/77/82/12/361778212.db2.gz TZNMMXXYUVPRKT-MRVPVSSYSA-N 1 0 246.108 0.634 10 0 BCAERO CS(=O)(=O)C[C@H]([NH2+]C1CCOCC1)C1CC1 ZINC000382220216 361798742 /nfs/dbraw/zinc/79/87/42/361798742.db2.gz MTZAVDXQNYFYSQ-NSHDSACASA-N 1 0 247.360 0.578 10 0 BCAERO CCN1CCO[C@H](C[NH2+][C@@H]2CCO[C@H](C)C2)C1 ZINC000165231400 538935149 /nfs/dbraw/zinc/93/51/49/538935149.db2.gz AUOZXNKDVKZMAQ-JHJVBQTASA-N 1 0 242.363 0.864 10 0 BCAERO Cc1cc([C@H]2NC(=O)CC[C@@H]2[NH3+])c(C)n1C ZINC000238854942 178268748 /nfs/dbraw/zinc/26/87/48/178268748.db2.gz PTKZVLQWXWDTNY-CMPLNLGQSA-N 1 0 221.304 0.920 10 0 BCAERO Cc1cc2ncc(C[NH2+]C(C)(C)C(N)=O)cn2n1 ZINC000104254101 178303377 /nfs/dbraw/zinc/30/33/77/178303377.db2.gz KMKPSLGVIIJYIW-UHFFFAOYSA-N 1 0 247.302 0.391 10 0 BCAERO O[C@@H](c1ccns1)[C@@H]1CSCC[NH2+]1 ZINC000575451072 398254085 /nfs/dbraw/zinc/25/40/85/398254085.db2.gz QVIRGUOCHQBPKD-POYBYMJQSA-N 1 0 216.331 0.882 10 0 BCAERO Cc1cc2nnc(COC3CC[NH2+]CC3)n2cn1 ZINC000104384736 178307657 /nfs/dbraw/zinc/30/76/57/178307657.db2.gz GBIMXWNGVIZCLZ-UHFFFAOYSA-N 1 0 247.302 0.701 10 0 BCAERO O=C(CC[C@@H]1CCC[NH2+]1)N[C@@H]1CCC[C@@H](O)C1 ZINC000383654670 398258572 /nfs/dbraw/zinc/25/85/72/398258572.db2.gz KDOJLSUXCSGORS-QJPTWQEYSA-N 1 0 240.347 0.938 10 0 BCAERO Cc1ccc(-c2nnnn2CC[NH3+])cc1F ZINC000042199150 178342624 /nfs/dbraw/zinc/34/26/24/178342624.db2.gz RANPGOFTCZKNMA-UHFFFAOYSA-N 1 0 221.239 0.746 10 0 BCAERO C[NH2+][C@H](C)CNC(=O)[C@H](C)OCC1CC1 ZINC000381536683 398262586 /nfs/dbraw/zinc/26/25/86/398262586.db2.gz FWBAWWBSRKQBGH-BDAKNGLRSA-N 1 0 214.309 0.526 10 0 BCAERO Cc1ccc(=O)n(C[C@H]2CCC[NH2+]C2)n1 ZINC000061810564 178360796 /nfs/dbraw/zinc/36/07/96/178360796.db2.gz SUYNJYLCJYNPAW-JTQLQIEISA-N 1 0 207.277 0.551 10 0 BCAERO Cc1ccc(=O)n(CC[NH2+]Cc2cccnc2)n1 ZINC000061811077 178361510 /nfs/dbraw/zinc/36/15/10/178361510.db2.gz WEQVWFQRTPTMNM-UHFFFAOYSA-N 1 0 244.298 0.737 10 0 BCAERO CN(CCC[NH3+])c1cc(NC2CC2)ncn1 ZINC000259081604 349543196 /nfs/dbraw/zinc/54/31/96/349543196.db2.gz YCQTXGDCQPHXPQ-UHFFFAOYSA-N 1 0 221.308 0.836 10 0 BCAERO CC(C)[C@](C)([NH2+]C[C@@H]1CCCN1C)C(N)=O ZINC000386630699 398265583 /nfs/dbraw/zinc/26/55/83/398265583.db2.gz LTQYHYBEWZDQQO-JQWIXIFHSA-N 1 0 227.352 0.570 10 0 BCAERO CCS(=O)(=O)C[C@H](C)[NH2+][C@H]1C[C@H]1C ZINC000245992920 323008065 /nfs/dbraw/zinc/00/80/65/323008065.db2.gz DPYKDBMZFOAUAZ-VGMNWLOBSA-N 1 0 205.323 0.808 10 0 BCAERO COc1ccnc(N2C[C@@H](C)[NH2+]C[C@@H]2C)n1 ZINC000083119074 349560697 /nfs/dbraw/zinc/56/06/97/349560697.db2.gz HYBNQBFLQYJOMY-BDAKNGLRSA-N 1 0 222.292 0.672 10 0 BCAERO Cc1n[nH]cc1[C@@H](C)[NH2+]C[C@H]1CN(C)CCO1 ZINC000180844340 538958963 /nfs/dbraw/zinc/95/89/63/538958963.db2.gz KSVOMWJNFORDFZ-KOLCDFICSA-N 1 0 238.335 0.699 10 0 BCAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)NC1CC1 ZINC000113271210 398275928 /nfs/dbraw/zinc/27/59/28/398275928.db2.gz NSRXIBFGYWEPPK-CMPLNLGQSA-N 1 0 237.347 0.434 10 0 BCAERO CCSCC[NH2+][C@H]1CCOC[C@H]1O ZINC000600212063 342700607 /nfs/dbraw/zinc/70/06/07/342700607.db2.gz VBFWKCZSYKNUPR-DTWKUNHWSA-N 1 0 205.323 0.479 10 0 BCAERO CO[C@@H]1C[NH2+][C@@H](COc2cccnc2)C1 ZINC000079972832 259317509 /nfs/dbraw/zinc/31/75/09/259317509.db2.gz NDAXSNWXBNRDOC-KOLCDFICSA-N 1 0 208.261 0.837 10 0 BCAERO CCC(CC)NC(=O)[C@@H](C)N(C)[C@@H]1CC[NH2+]C1 ZINC000071311545 168381976 /nfs/dbraw/zinc/38/19/76/168381976.db2.gz ZYDYOOXIXRTAEG-ZYHUDNBSSA-N 1 0 241.379 0.973 10 0 BCAERO O=C(NCc1ccno1)[C@H]1CCC[NH2+]C1 ZINC000231892114 342743431 /nfs/dbraw/zinc/74/34/31/342743431.db2.gz SEMFHQWUAHQLGL-QMMMGPOBSA-N 1 0 209.249 0.290 10 0 BCAERO C=CS(=O)(=O)N1CC[C@H]([NH+](C)C)[C@@H]1C ZINC000306655027 361861948 /nfs/dbraw/zinc/86/19/48/361861948.db2.gz XFGGVANJAQYZGQ-IUCAKERBSA-N 1 0 218.322 0.484 10 0 BCAERO [NH3+]CCOCn1nc(-c2ccccc2)ccc1=O ZINC000144601177 342747484 /nfs/dbraw/zinc/74/74/84/342747484.db2.gz LKXZODOBTHKFCY-UHFFFAOYSA-N 1 0 245.282 0.843 10 0 BCAERO CC[S@](=O)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000306657111 361867652 /nfs/dbraw/zinc/86/76/52/361867652.db2.gz JMTPVULFRDWCBB-SDBXPKJASA-N 1 0 204.339 0.729 10 0 BCAERO CCN1C[C@@H](NC(=O)C[C@@H]([NH3+])C(C)C)CC1=O ZINC000391559124 398280052 /nfs/dbraw/zinc/28/00/52/398280052.db2.gz FKDCDNKIGRAUMS-VHSXEESVSA-N 1 0 241.335 0.097 10 0 BCAERO CCN1C[C@H](NC(=O)C[C@@H]([NH3+])C(C)C)CC1=O ZINC000391559120 398280054 /nfs/dbraw/zinc/28/00/54/398280054.db2.gz FKDCDNKIGRAUMS-NXEZZACHSA-N 1 0 241.335 0.097 10 0 BCAERO CCN(C)C(=O)[C@H](C)NC[C@H]1CCC[NH2+]C1 ZINC000231844317 342739962 /nfs/dbraw/zinc/73/99/62/342739962.db2.gz MQBFTKSGBZSCDA-QWRGUYRKSA-N 1 0 227.352 0.442 10 0 BCAERO C[C@@H]([NH3+])C[C@H](C)NC(=O)[C@H]1CCCO1 ZINC000320808121 342740243 /nfs/dbraw/zinc/74/02/43/342740243.db2.gz HYRGEJHPFGOPSG-HRDYMLBCSA-N 1 0 200.282 0.407 10 0 BCAERO CC(C)(C)[NH2+]C1CCS(=O)(=O)CC1 ZINC000035652059 342753841 /nfs/dbraw/zinc/75/38/41/342753841.db2.gz FSJXXWOVUILOSU-UHFFFAOYSA-N 1 0 205.323 0.952 10 0 BCAERO CCCCNC(=O)C[NH2+][C@@H](C)COC ZINC000042212814 342763894 /nfs/dbraw/zinc/76/38/94/342763894.db2.gz KESWAIBGOIMKJH-VIFPVBQESA-N 1 0 202.298 0.527 10 0 BCAERO O=C(COC1C[NH2+]C1)OCc1ccccc1 ZINC000146389738 342769218 /nfs/dbraw/zinc/76/92/18/342769218.db2.gz BPPRMSIBKZBAPE-UHFFFAOYSA-N 1 0 221.256 0.718 10 0 BCAERO CNC(=O)[C@H]([NH2+]CC(=O)NCC(C)C)C(C)C ZINC000183661318 538967772 /nfs/dbraw/zinc/96/77/72/538967772.db2.gz CSPPFGOJKMGJRR-LLVKDONJSA-N 1 0 243.351 0.119 10 0 BCAERO CSCCNC(=O)[C@H]1CCNCC1(F)F ZINC000309633804 342771285 /nfs/dbraw/zinc/77/12/85/342771285.db2.gz LRGULQRNRVEVRJ-SSDOTTSWSA-N 1 0 238.303 0.710 10 0 BCAERO CC1(C)C[C@H]1NC(=O)[C@@H]1CSCC[NH2+]1 ZINC000126879824 342798559 /nfs/dbraw/zinc/79/85/59/342798559.db2.gz DOBACQIOKLSQIB-JGVFFNPUSA-N 1 0 214.334 0.606 10 0 BCAERO COC[C@H](C)[NH2+]CC(=O)N[C@H](C)C(C)C ZINC000042222925 538976965 /nfs/dbraw/zinc/97/69/65/538976965.db2.gz XKAKBWYYVDJPOD-VHSXEESVSA-N 1 0 216.325 0.772 10 0 BCAERO CNC(=O)[C@H]([NH2+]C[C@H](C)COC)C(C)C ZINC000188158948 538977624 /nfs/dbraw/zinc/97/76/24/538977624.db2.gz UNSHGZGZZAADFC-VHSXEESVSA-N 1 0 216.325 0.629 10 0 BCAERO C[C@H]1CCC[N@H+](CC(C)(C)O)[C@@H]1CN ZINC000069727318 342822613 /nfs/dbraw/zinc/82/26/13/342822613.db2.gz GZJCTSLYSHROOV-VHSXEESVSA-N 1 0 200.326 0.817 10 0 BCAERO COC[C@H](C)C[NH2+]C[C@H](C)N1CCOCC1 ZINC000187644083 538976444 /nfs/dbraw/zinc/97/64/44/538976444.db2.gz VUAOUEYONFGMNW-NEPJUHHUSA-N 1 0 230.352 0.579 10 0 BCAERO CCC(CC)[C@@H](C(N)=O)N1CCC[NH2+]CC1 ZINC000041049739 168397103 /nfs/dbraw/zinc/39/71/03/168397103.db2.gz PEPKAULMZMHUOD-NSHDSACASA-N 1 0 227.352 0.572 10 0 BCAERO C[C@@]1(C(=O)N2CC([NH3+])C2)CCCS1 ZINC000164849278 342837310 /nfs/dbraw/zinc/83/73/10/342837310.db2.gz BAXBQRYYAPMNSK-VIFPVBQESA-N 1 0 200.307 0.442 10 0 BCAERO CCCS(=O)(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000382488697 539009513 /nfs/dbraw/zinc/00/95/13/539009513.db2.gz HJZUSVWGVDYRIW-RKDXNWHRSA-N 1 0 220.338 0.443 10 0 BCAERO CCCS(=O)(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000382488695 539009515 /nfs/dbraw/zinc/00/95/15/539009515.db2.gz HJZUSVWGVDYRIW-IUCAKERBSA-N 1 0 220.338 0.443 10 0 BCAERO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1S(N)(=O)=O ZINC000050349831 539010305 /nfs/dbraw/zinc/01/03/05/539010305.db2.gz FUFSBTQTPLWWLR-GJMOJQLCSA-N 1 0 206.311 0.004 10 0 BCAERO CCC[N@@H+]1CCC[C@@H]([C@@H](C)S(N)(=O)=O)C1 ZINC000050350508 539010512 /nfs/dbraw/zinc/01/05/12/539010512.db2.gz PIRARRJSVJGVAW-NXEZZACHSA-N 1 0 234.365 0.785 10 0 BCAERO CC[N@@H+]1CCC[C@@H]([C@@H](C)S(N)(=O)=O)C1 ZINC000050350491 539010927 /nfs/dbraw/zinc/01/09/27/539010927.db2.gz JRCKPKBLVVJTGE-RKDXNWHRSA-N 1 0 220.338 0.395 10 0 BCAERO CC[C@@H]([NH3+])C(=O)N[C@H](C)[C@@H]1CCCO1 ZINC000036871734 398295493 /nfs/dbraw/zinc/29/54/93/398295493.db2.gz YPDGUAKUJKTKRE-HLTSFMKQSA-N 1 0 200.282 0.407 10 0 BCAERO CN(C)C(=O)c1c[nH]nc1C1CC[NH2+]CC1 ZINC000390090464 539020128 /nfs/dbraw/zinc/02/01/28/539020128.db2.gz ISWQNOZEKAFEID-UHFFFAOYSA-N 1 0 222.292 0.579 10 0 BCAERO COC(=O)[C@@H](C[NH3+])NC(=O)OC(C)(C)C ZINC000015225825 344006396 /nfs/dbraw/zinc/00/63/96/344006396.db2.gz HNGRJOCEIWGCTB-ZCFIWIBFSA-N 1 0 218.253 0.011 10 0 BCAERO C[NH+](C)C[C@@H]1COC[C@H]1N1CCC(CO)CC1 ZINC000725273976 539026960 /nfs/dbraw/zinc/02/69/60/539026960.db2.gz ZVEUBSAZMHRTCB-CHWSQXEVSA-N 1 0 242.363 0.267 10 0 BCAERO CC1(C)C[C@H](NC(=O)CC[NH3+])CCO1 ZINC000215600240 349628372 /nfs/dbraw/zinc/62/83/72/349628372.db2.gz OOSOIWQGAGWVJW-MRVPVSSYSA-N 1 0 200.282 0.409 10 0 BCAERO CC(C)[C@@H]([NH3+])C(=O)N[C@@H]1CCC[C@H](O)C1 ZINC000037001005 398298236 /nfs/dbraw/zinc/29/82/36/398298236.db2.gz PUAXPBKHJVPPNI-KXUCPTDWSA-N 1 0 214.309 0.389 10 0 BCAERO CCS(=O)(=O)NC[C@H]1CCCC[NH2+]C1 ZINC000389220669 539015402 /nfs/dbraw/zinc/01/54/02/539015402.db2.gz NDQVDGBDFVYMLI-VIFPVBQESA-N 1 0 220.338 0.315 10 0 BCAERO CC(C)[C@H]([NH3+])C(=O)N[C@H]1CCC[C@H](O)C1 ZINC000037001006 398299054 /nfs/dbraw/zinc/29/90/54/398299054.db2.gz PUAXPBKHJVPPNI-GUBZILKMSA-N 1 0 214.309 0.389 10 0 BCAERO [NH3+][C@@H]1CCC[C@@H]1[C@@H]1CCS(=O)(=O)C1 ZINC000042397586 361995297 /nfs/dbraw/zinc/99/52/97/361995297.db2.gz IQWHGPCSLAVTCG-IWSPIJDZSA-N 1 0 203.307 0.549 10 0 BCAERO CCN1CCO[C@H](C[NH2+]Cc2cncn2C)C1 ZINC000134435290 342854322 /nfs/dbraw/zinc/85/43/22/342854322.db2.gz QRZZTACQNXNPEX-GFCCVEGCSA-N 1 0 238.335 0.230 10 0 BCAERO Cn1ccnc1[C@@H]1[C@@H](C[NH3+])CCC(=O)N1C1CC1 ZINC000521399528 398304539 /nfs/dbraw/zinc/30/45/39/398304539.db2.gz WNKAFLHNJLTKGO-SKDRFNHKSA-N 1 0 248.330 0.821 10 0 BCAERO CCn1ncnc1C[C@H]1CSC[C@@H]1[NH3+] ZINC000134572275 342868923 /nfs/dbraw/zinc/86/89/23/342868923.db2.gz PSIDKNUQDHSGOV-YUMQZZPRSA-N 1 0 212.322 0.531 10 0 BCAERO C[C@@H]([NH3+])[C@H](C)C(=O)NC1CCOCC1 ZINC000165164355 342879151 /nfs/dbraw/zinc/87/91/51/342879151.db2.gz PWACEBJYHKIOBE-JGVFFNPUSA-N 1 0 200.282 0.265 10 0 BCAERO C[C@@H]([NH3+])[C@@H](C)C(=O)N1CCOC[C@H]1C ZINC000165127778 342876467 /nfs/dbraw/zinc/87/64/67/342876467.db2.gz MLMBXAMQHLRBBE-IWSPIJDZSA-N 1 0 200.282 0.217 10 0 BCAERO CCOC[C@H](C)[NH2+][C@H]1CCCNC1=O ZINC000133035077 398309489 /nfs/dbraw/zinc/30/94/89/398309489.db2.gz NAXNUTFQSCNNJT-IUCAKERBSA-N 1 0 200.282 0.280 10 0 BCAERO [NH3+]CCN1CCc2ccccc2[C@@H]1CO ZINC000309076270 342887945 /nfs/dbraw/zinc/88/79/45/342887945.db2.gz KTGIIWFAQBMSBB-LBPRGKRZSA-N 1 0 206.289 0.537 10 0 BCAERO COCc1noc([C@H]2CSC[C@@H]2[NH3+])n1 ZINC000134815997 342893571 /nfs/dbraw/zinc/89/35/71/342893571.db2.gz AIGDTXFIXYDIIV-WDSKDSINSA-N 1 0 215.278 0.374 10 0 BCAERO CCOCCCC(=O)N1C[C@H](C)[C@H]([NH3+])C1 ZINC000233730871 342912000 /nfs/dbraw/zinc/91/20/00/342912000.db2.gz MMAFFMGLJCAVNI-VHSXEESVSA-N 1 0 214.309 0.609 10 0 BCAERO CCC[C@H]([NH3+])C(=O)NC[C@@H]1CCCO1 ZINC000036872952 342912724 /nfs/dbraw/zinc/91/27/24/342912724.db2.gz PQSNDSWXTYIWGW-IUCAKERBSA-N 1 0 200.282 0.409 10 0 BCAERO C[NH2+]C[C@H](C)C(=O)NCCn1cc(C)cn1 ZINC000234369511 342921755 /nfs/dbraw/zinc/92/17/55/342921755.db2.gz NELFVCKAYFHGGH-JTQLQIEISA-N 1 0 224.308 0.163 10 0 BCAERO C[C@@H]1CC[C@@H](C[NH3+])[C@@H](S(C)(=O)=O)C1 ZINC000218123100 398325760 /nfs/dbraw/zinc/32/57/60/398325760.db2.gz ZGIHJQBSFJJYGK-VGMNWLOBSA-N 1 0 205.323 0.795 10 0 BCAERO C[NH2+][C@H](C)C(=O)NCC(C)(C)CCOC ZINC000234428135 342925281 /nfs/dbraw/zinc/92/52/81/342925281.db2.gz JRUYHYXHMYMEBT-SECBINFHSA-N 1 0 216.325 0.773 10 0 BCAERO COC1(CO)CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000401720698 488187408 /nfs/dbraw/zinc/18/74/08/488187408.db2.gz ACIDHKKBYGEAEF-GHMZBOCLSA-N 1 0 229.320 0.373 10 0 BCAERO C[C@H]1C[NH2+]C/C(=C\CS(C)(=O)=O)C1 ZINC000401739027 342926703 /nfs/dbraw/zinc/92/67/03/342926703.db2.gz QPQHARVPBCSSGU-MMEMACFNSA-N 1 0 203.307 0.587 10 0 BCAERO C[C@@H]1SCC[C@@H]1NC(=O)/C=C/C[NH3+] ZINC000306789651 398325948 /nfs/dbraw/zinc/32/59/48/398325948.db2.gz UDDHVSCCWISODG-HZIBQTDNSA-N 1 0 200.307 0.512 10 0 BCAERO CC(C)[NH2+]CC(=O)N[C@H](C)[C@H]1CCCO1 ZINC000037477152 488186699 /nfs/dbraw/zinc/18/66/99/488186699.db2.gz NTGOGWMPYJSNKV-NXEZZACHSA-N 1 0 214.309 0.668 10 0 BCAERO CS[C@@H]1C[NH2+]C[C@H]1N1CCOCC1 ZINC000134889517 342917238 /nfs/dbraw/zinc/91/72/38/342917238.db2.gz YHDLCYUKDLSEBZ-RKDXNWHRSA-N 1 0 202.323 0.022 10 0 BCAERO CCN1CC[C@H]([NH2+]C[C@@](C)(O)C(F)(F)F)C1 ZINC000389398871 398324804 /nfs/dbraw/zinc/32/48/04/398324804.db2.gz KGCXOOHDITZTBT-DTWKUNHWSA-N 1 0 240.269 0.984 10 0 BCAERO C[NH+](C)[C@@H]1CCN(c2ccncc2C(N)=O)C1 ZINC000302126702 398325225 /nfs/dbraw/zinc/32/52/25/398325225.db2.gz ARZLPXHTNKBEIA-SECBINFHSA-N 1 0 234.303 0.321 10 0 BCAERO CCOC(=O)C[C@H](O)C[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000233987700 342920167 /nfs/dbraw/zinc/92/01/67/342920167.db2.gz FKNDDROBPQUZJE-DCAQKATOSA-N 1 0 245.319 0.458 10 0 BCAERO CS[C@@H]1C[NH2+]C[C@H]1N1CCSCC1 ZINC000134896622 342920598 /nfs/dbraw/zinc/92/05/98/342920598.db2.gz IRNFPNQQZNSREC-RKDXNWHRSA-N 1 0 218.391 0.739 10 0 BCAERO CS[C@H]1C[NH2+]C[C@H]1N1CCCOCC1 ZINC000134899111 342920846 /nfs/dbraw/zinc/92/08/46/342920846.db2.gz ULJLYWWLHKACAV-ZJUUUORDSA-N 1 0 216.350 0.412 10 0 BCAERO COC(=O)CCNC[C@@H]1CCCC[NH2+]1 ZINC000234536132 342930117 /nfs/dbraw/zinc/93/01/17/342930117.db2.gz WCCFVADIXVIMKB-VIFPVBQESA-N 1 0 200.282 0.281 10 0 BCAERO COCCC(C)(C)CNC(=O)[C@@H]1CC[NH2+]C1 ZINC000234584917 342930154 /nfs/dbraw/zinc/93/01/54/342930154.db2.gz LBBCWYHTHPUFPM-SNVBAGLBSA-N 1 0 228.336 0.775 10 0 BCAERO COC(=O)[C@H](C)N1C[C@@H](C)[C@H]([NH+](C)C)C1 ZINC000227228242 536630927 /nfs/dbraw/zinc/63/09/27/536630927.db2.gz ICUDTZPKIDJENO-KXUCPTDWSA-N 1 0 214.309 0.430 10 0 BCAERO Cn1ccc(NC(=O)C2CCC([NH3+])CC2)n1 ZINC000037482359 398328405 /nfs/dbraw/zinc/32/84/05/398328405.db2.gz RQAZEBSLLSVKFU-UHFFFAOYSA-N 1 0 222.292 0.876 10 0 BCAERO O=C(CC1CC[NH2+]CC1)N[C@@H]1CCC[C@@H](O)C1 ZINC000038075169 398336017 /nfs/dbraw/zinc/33/60/17/398336017.db2.gz SQZQNQNCAYISSY-VXGBXAGGSA-N 1 0 240.347 0.796 10 0 BCAERO [NH3+]C1CCC(C(=O)N[C@@H]2CCC[C@H](O)C2)CC1 ZINC000037626656 398333295 /nfs/dbraw/zinc/33/32/95/398333295.db2.gz RLNHAKBVNSDQDO-HCWSGVFWSA-N 1 0 240.347 0.924 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)N(CC)C[C@H]1CCOC1 ZINC000037827269 398334797 /nfs/dbraw/zinc/33/47/97/398334797.db2.gz FHAQGXWAXNYNIL-GHMZBOCLSA-N 1 0 228.336 0.999 10 0 BCAERO COC[C@H](C)[NH2+]C[C@H](O)COCc1ccco1 ZINC000037847458 398334936 /nfs/dbraw/zinc/33/49/36/398334936.db2.gz NNYDGYSPBFPOOA-QWRGUYRKSA-N 1 0 243.303 0.782 10 0 BCAERO C[C@@H](CO)[NH2+]C[C@@H](O)COCc1ccco1 ZINC000037888483 398335078 /nfs/dbraw/zinc/33/50/78/398335078.db2.gz WYTMVDUXAMORJC-VHSXEESVSA-N 1 0 229.276 0.128 10 0 BCAERO Cn1c(C[NH3+])nnc1C(F)(F)C(F)F ZINC000158975881 346888941 /nfs/dbraw/zinc/88/89/41/346888941.db2.gz IVZFBQGBFGMYLG-UHFFFAOYSA-N 1 0 212.150 0.631 10 0 BCAERO COc1c(N)ncnc1NCCn1cc(C)cn1 ZINC000234787563 342942488 /nfs/dbraw/zinc/94/24/88/342942488.db2.gz CHBCAHMWGXKBRV-UHFFFAOYSA-N 1 0 248.290 0.684 10 0 BCAERO C[C@]1(CNC(=O)[C@H]2CC[C@@H]([NH3+])C2)CCCO1 ZINC000227484534 398340113 /nfs/dbraw/zinc/34/01/13/398340113.db2.gz ZMVQXNOZOPWCRG-HOSYDEDBSA-N 1 0 226.320 0.799 10 0 BCAERO OCC[C@H]1CC[N@H+](CCc2cnccn2)C1 ZINC000402937422 398341422 /nfs/dbraw/zinc/34/14/22/398341422.db2.gz VXVKXACSMDAXRY-LLVKDONJSA-N 1 0 221.304 0.723 10 0 BCAERO C[C@H]([NH3+])CC(=O)NC[C@@H]1CCCC[C@H]1O ZINC000251469253 398342181 /nfs/dbraw/zinc/34/21/81/398342181.db2.gz DLUBULFOEDCLEJ-LPEHRKFASA-N 1 0 214.309 0.391 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N1CCC[C@H](C(=O)NC)C1 ZINC000159751749 398342344 /nfs/dbraw/zinc/34/23/44/398342344.db2.gz RGFOCZOUKJCGQI-UWVGGRQHSA-N 1 0 241.335 0.098 10 0 BCAERO COc1cc(C)nc(NC[C@H]2C[NH2+]CCO2)n1 ZINC000164226261 536704541 /nfs/dbraw/zinc/70/45/41/536704541.db2.gz CSZIYVIPGIMASC-SECBINFHSA-N 1 0 238.291 0.194 10 0 BCAERO COc1ncccc1C(=O)N1C[C@H]([NH3+])[C@@H](C)C1 ZINC000234890919 342957461 /nfs/dbraw/zinc/95/74/61/342957461.db2.gz XJAPLKWSGXOQKO-WPRPVWTQSA-N 1 0 235.287 0.509 10 0 BCAERO COc1cc(C)nc(N2CC[C@H]([NH3+])[C@H]2C)n1 ZINC000261580148 536699897 /nfs/dbraw/zinc/69/98/97/536699897.db2.gz MSEGAPMSHSBMFI-BDAKNGLRSA-N 1 0 222.292 0.720 10 0 BCAERO C[N@@H+]1CCO[C@H]2CN(c3ccccn3)C[C@H]21 ZINC000301691465 187207247 /nfs/dbraw/zinc/20/72/47/187207247.db2.gz YWULDXYPLBFICD-MNOVXSKESA-N 1 0 219.288 0.601 10 0 BCAERO C[C@@H]([NH2+][C@H]1CCS(=O)(=O)C1)C1CC1 ZINC000019899983 342962224 /nfs/dbraw/zinc/96/22/24/342962224.db2.gz HOLURNWCNDNLEP-APPZFPTMSA-N 1 0 203.307 0.562 10 0 BCAERO C[C@@]1(O)CC[N@H+](Cc2cnc(N)s2)C1 ZINC000219830719 342970666 /nfs/dbraw/zinc/97/06/66/342970666.db2.gz QFLNDQKICQGJKR-SECBINFHSA-N 1 0 213.306 0.682 10 0 BCAERO CN1C[C@H]([NH2+]C[C@@H](O)C(C)(C)C)CC1=O ZINC000380040367 342990230 /nfs/dbraw/zinc/99/02/30/342990230.db2.gz UEPOMCSEDKISTJ-RKDXNWHRSA-N 1 0 214.309 0.214 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N1CCN(C(C)C)CC1 ZINC000036873420 342992818 /nfs/dbraw/zinc/99/28/18/342992818.db2.gz QTKWZMSYCXKNDD-NSHDSACASA-N 1 0 227.352 0.666 10 0 BCAERO C[C@@H]1CN(C(=O)CC[C@@H]2CCCO2)C[C@@H]1[NH3+] ZINC000235326452 343010473 /nfs/dbraw/zinc/01/04/73/343010473.db2.gz RJTMMUYFNRZPPR-VWYCJHECSA-N 1 0 226.320 0.751 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@H]1CCCO1 ZINC000235291510 343000693 /nfs/dbraw/zinc/00/06/93/343000693.db2.gz VTTBEBUVADKJPG-OPRDCNLKSA-N 1 0 212.293 0.137 10 0 BCAERO C[C@@H]1CN(C(=O)CCc2cccnc2)C[C@H]1[NH3+] ZINC000235327730 343010561 /nfs/dbraw/zinc/01/05/61/343010561.db2.gz BMYAJVAKVTVXHV-ZYHUDNBSSA-N 1 0 233.315 0.820 10 0 BCAERO CC(=O)N(CCCCCC[NH3+])C(C)=O ZINC000083406890 259338399 /nfs/dbraw/zinc/33/83/99/259338399.db2.gz HPYZJHOGXBZBFY-UHFFFAOYSA-N 1 0 200.282 0.901 10 0 BCAERO CC(C)[C@H](O)C[NH2+]C[C@@H](O)C(C)(C)C ZINC000308542440 259340403 /nfs/dbraw/zinc/34/04/03/259340403.db2.gz NBXROGHCRKDOQC-NXEZZACHSA-N 1 0 203.326 1.000 10 0 BCAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N(C)C ZINC000113224153 346915691 /nfs/dbraw/zinc/91/56/91/346915691.db2.gz JLWCZCGMLIFVMW-VHSXEESVSA-N 1 0 211.309 0.837 10 0 BCAERO C[C@@H]1C[C@H](NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)CCO1 ZINC000235437163 343035881 /nfs/dbraw/zinc/03/58/81/343035881.db2.gz GWKXQLGPUUMGCZ-GWOFURMSSA-N 1 0 226.320 0.798 10 0 BCAERO C[C@H](O)C1CCN(C(=O)C2([NH3+])CCC2)CC1 ZINC000235531068 343048180 /nfs/dbraw/zinc/04/81/80/343048180.db2.gz AEGMNEQOUCNLST-VIFPVBQESA-N 1 0 226.320 0.487 10 0 BCAERO COc1ccc(C[NH2+][C@H]2CCO[C@@H]2C)nn1 ZINC000304286136 187224556 /nfs/dbraw/zinc/22/45/56/187224556.db2.gz MZNMHUZRGGHGNZ-SCZZXKLOSA-N 1 0 223.276 0.752 10 0 BCAERO Cc1cnc(C(=O)N2C[C@H]([NH3+])[C@@H](C)C2)cn1 ZINC000235677047 343055369 /nfs/dbraw/zinc/05/53/69/343055369.db2.gz ZRSKQDKYUCDKSI-CBAPKCEASA-N 1 0 220.276 0.204 10 0 BCAERO COc1cc([C@H]([NH3+])CO)cc(OC)c1O ZINC000072198190 343068960 /nfs/dbraw/zinc/06/89/60/343068960.db2.gz PEZDPDFYEGBHMK-SSDOTTSWSA-N 1 0 213.233 0.402 10 0 BCAERO COc1cc([C@@H](N)C[NH3+])ccc1OC(C)=O ZINC000072201104 343069630 /nfs/dbraw/zinc/06/96/30/343069630.db2.gz YIRZRSWSFCJZOY-VIFPVBQESA-N 1 0 224.260 0.579 10 0 BCAERO CC(C)SCCn1cc(C[NH3+])nn1 ZINC000379354198 343079534 /nfs/dbraw/zinc/07/95/34/343079534.db2.gz HSUHUPSDXQOYMY-UHFFFAOYSA-N 1 0 200.311 0.878 10 0 BCAERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)c1ncnn1C ZINC000306668951 362027542 /nfs/dbraw/zinc/02/75/42/362027542.db2.gz GIONWXHHWAMBJH-JGVFFNPUSA-N 1 0 208.265 0.386 10 0 BCAERO C[NH2+]C[C@H](O)C[C@](C)(O)C1CCOCC1 ZINC000584883276 343085840 /nfs/dbraw/zinc/08/58/40/343085840.db2.gz KFAROMSSHDDHQE-MNOVXSKESA-N 1 0 217.309 0.134 10 0 BCAERO C[NH2+]C[C@H](O)C[C@@](C)(O)C1CCOCC1 ZINC000584883275 343086029 /nfs/dbraw/zinc/08/60/29/343086029.db2.gz KFAROMSSHDDHQE-GHMZBOCLSA-N 1 0 217.309 0.134 10 0 BCAERO CC[NH2+]C[C@@H](O)C[C@](C)(O)CC1CC1 ZINC000584883449 343086292 /nfs/dbraw/zinc/08/62/92/343086292.db2.gz NVFSMOVIMLQLKD-WDEREUQCSA-N 1 0 201.310 0.898 10 0 BCAERO CC(C)(O)C[N@@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000119623424 259349370 /nfs/dbraw/zinc/34/93/70/259349370.db2.gz OMPRTWJPYCTXNM-LLVKDONJSA-N 1 0 238.335 0.761 10 0 BCAERO COC(=O)CCCC[N@@H+]1CC[C@H](N(C)C)C1 ZINC000602890477 349794778 /nfs/dbraw/zinc/79/47/78/349794778.db2.gz MUFWOIGVDBKWIU-NSHDSACASA-N 1 0 228.336 0.966 10 0 BCAERO C[C@H](Cn1cccn1)NC1=[NH+]CCS1 ZINC000042542113 362008408 /nfs/dbraw/zinc/00/84/08/362008408.db2.gz COGUSBRKBPXAFK-MRVPVSSYSA-N 1 0 210.306 0.964 10 0 BCAERO CC(=O)NCc1cc(O[C@@H]2CC[NH2+]C2)ccn1 ZINC000231341604 343076671 /nfs/dbraw/zinc/07/66/71/343076671.db2.gz BTNSZRMEBRUHKO-GFCCVEGCSA-N 1 0 235.287 0.458 10 0 BCAERO C[C@H](CCC1CC1)NC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000398185396 343078703 /nfs/dbraw/zinc/07/87/03/343078703.db2.gz UYJXRQFRPLHFKB-FBIMIBRVSA-N 1 0 226.320 0.404 10 0 BCAERO CC[NH+](CC)CCNCC(OC)OC ZINC000082534364 362046349 /nfs/dbraw/zinc/04/63/49/362046349.db2.gz HBWNFTOMJDGYRM-UHFFFAOYSA-N 1 0 204.314 0.537 10 0 BCAERO CC(C)(O)C[NH2+][C@@H]1CCN2CCCC[C@H]12 ZINC000049565159 343112494 /nfs/dbraw/zinc/11/24/94/343112494.db2.gz PGNQZHXZLABXEW-GHMZBOCLSA-N 1 0 212.337 0.974 10 0 BCAERO NC(=O)c1cccc2[nH]c(N3CC[NH2+]CC3)nc21 ZINC000143021955 343115311 /nfs/dbraw/zinc/11/53/11/343115311.db2.gz XJKKXWQIBNHZOK-UHFFFAOYSA-N 1 0 245.286 0.071 10 0 BCAERO C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCn2ccnc2C1 ZINC000092956770 343150278 /nfs/dbraw/zinc/15/02/78/343150278.db2.gz SGZFLHSCLCENTB-VHSXEESVSA-N 1 0 234.303 0.223 10 0 BCAERO CCOC(=O)CC[C@H](C(N)=[NH2+])C(=O)OCC ZINC000144606481 343136887 /nfs/dbraw/zinc/13/68/87/343136887.db2.gz KHHQOQKSXPQQRW-SSDOTTSWSA-N 1 0 230.264 0.445 10 0 BCAERO CCC(CC)NC(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000131187620 343183209 /nfs/dbraw/zinc/18/32/09/343183209.db2.gz YXZISAAHJKGVDR-UHFFFAOYSA-N 1 0 241.379 0.975 10 0 BCAERO CC(C)CCNC(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000131192901 343183309 /nfs/dbraw/zinc/18/33/09/343183309.db2.gz BDPPZDGLXOHRIL-UHFFFAOYSA-N 1 0 241.379 0.833 10 0 BCAERO CC[C@H](CCO)CNC(=O)C[C@H]1CCC[NH2+]C1 ZINC000094955764 343154508 /nfs/dbraw/zinc/15/45/08/343154508.db2.gz XAEXIVDWJAACJT-VXGBXAGGSA-N 1 0 242.363 0.901 10 0 BCAERO C[NH+](C)CCN1C(=O)N[C@H](c2ccccc2)C1=O ZINC000096776682 343155092 /nfs/dbraw/zinc/15/50/92/343155092.db2.gz NWVZSXJPKAIQMC-LLVKDONJSA-N 1 0 247.298 0.841 10 0 BCAERO COC(=O)c1ccc(N2CC[C@H]([NH3+])C2)nc1C ZINC000124432641 343167783 /nfs/dbraw/zinc/16/77/83/343167783.db2.gz UHSSUTPYDJUGES-VIFPVBQESA-N 1 0 235.287 0.714 10 0 BCAERO CC[C@@H](C)[N@H+](CCO)C[C@@H]1CNC(=O)O1 ZINC000379919585 365735953 /nfs/dbraw/zinc/73/59/53/365735953.db2.gz RCKPCICTXCDVKI-BDAKNGLRSA-N 1 0 216.281 0.188 10 0 BCAERO O=C(C[C@@H]1CCC[NH2+]C1)NCC(F)F ZINC000147692739 343198252 /nfs/dbraw/zinc/19/82/52/343198252.db2.gz JTPXHYHQYJHGCM-ZETCQYMHSA-N 1 0 206.236 0.757 10 0 BCAERO COC(C)(C)CNC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000159160793 343202006 /nfs/dbraw/zinc/20/20/06/343202006.db2.gz YKZVOPAECGZQOS-JTQLQIEISA-N 1 0 228.336 0.917 10 0 BCAERO COC[C@@H]([NH3+])C(=O)Nc1ccc2c[nH]nc2c1 ZINC000159684598 343202321 /nfs/dbraw/zinc/20/23/21/343202321.db2.gz PGRRMCHLUUCKLJ-SECBINFHSA-N 1 0 234.259 0.475 10 0 BCAERO CCC[C@H](O)CNC(=O)[C@]1(C)CCCC[NH2+]1 ZINC000163698375 343207267 /nfs/dbraw/zinc/20/72/67/343207267.db2.gz KOCYUPNYUWHQFA-JQWIXIFHSA-N 1 0 228.336 0.796 10 0 BCAERO CN(CCC[NH3+])c1ncccc1S(C)(=O)=O ZINC000166922731 343208614 /nfs/dbraw/zinc/20/86/14/343208614.db2.gz XPXFXWYCJWAWKI-UHFFFAOYSA-N 1 0 243.332 0.270 10 0 BCAERO C[C@@H]([NH3+])C[C@@H](C)Nc1ccc(C(N)=O)nn1 ZINC000165743763 343212202 /nfs/dbraw/zinc/21/22/02/343212202.db2.gz JFXPOOSLBPDPAK-RNFRBKRXSA-N 1 0 223.280 0.113 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)O1 ZINC000222405670 343215707 /nfs/dbraw/zinc/21/57/07/343215707.db2.gz KAKDTGNUZLAZTB-LMLFDSFASA-N 1 0 226.320 0.763 10 0 BCAERO c1ccc2c(c1)C[C@H](C[NH2+]C1COC1)O2 ZINC000082488142 136276623 /nfs/dbraw/zinc/27/66/23/136276623.db2.gz ANWLJECSMHOFNX-LLVKDONJSA-N 1 0 205.257 0.979 10 0 BCAERO O=C(Nc1cccc2c1CC[NH2+]C2)c1nc[nH]n1 ZINC000132312386 343188235 /nfs/dbraw/zinc/18/82/35/343188235.db2.gz HWGHBKKTEHHMJU-UHFFFAOYSA-N 1 0 243.270 0.703 10 0 BCAERO c1cnc2nc(NC[C@H]3C[NH2+]CCO3)ccc2n1 ZINC000134265643 343193845 /nfs/dbraw/zinc/19/38/45/343193845.db2.gz ITXQYMDONJCMJJ-SECBINFHSA-N 1 0 245.286 0.425 10 0 BCAERO CCOC(=O)c1cnc(NCCC[NH3+])nc1C ZINC000134296925 343194291 /nfs/dbraw/zinc/19/42/91/343194291.db2.gz RMIZSUUMOVEADT-UHFFFAOYSA-N 1 0 238.291 0.722 10 0 BCAERO COC[C@H]([NH3+])C(=O)NCc1scnc1C ZINC000088004292 136283377 /nfs/dbraw/zinc/28/33/77/136283377.db2.gz MYUVYDVFLILEFR-ZETCQYMHSA-N 1 0 229.305 0.041 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N(C)CC1CCCC1 ZINC000088004349 136283582 /nfs/dbraw/zinc/28/35/82/136283582.db2.gz LKPVAVYCJFJFQM-SNVBAGLBSA-N 1 0 214.309 0.609 10 0 BCAERO Cc1n[nH]c(C)c1C(=O)N[C@H]1CC[NH2+]C1 ZINC000036286682 187249984 /nfs/dbraw/zinc/24/99/84/187249984.db2.gz VOZURSMYAVURKP-QMMMGPOBSA-N 1 0 208.265 0.118 10 0 BCAERO CC(C)[NH+]1CCC(N)(c2ncon2)CC1 ZINC000036761995 187250019 /nfs/dbraw/zinc/25/00/19/187250019.db2.gz QNGGWJDKIZWZAW-UHFFFAOYSA-N 1 0 210.281 0.728 10 0 BCAERO Cc1cc(Cn2cc(C(C)(C)[NH3+])nn2)nn1C ZINC000641037448 362149908 /nfs/dbraw/zinc/14/99/08/362149908.db2.gz DTNFQRKNLBJFIX-UHFFFAOYSA-N 1 0 234.307 0.562 10 0 BCAERO C[C@H]1C[C@H]1[NH2+]Cc1cnc(N(C)C)n1C ZINC000069718049 343290219 /nfs/dbraw/zinc/29/02/19/343290219.db2.gz RAMNUJUPQFTTTN-WCBMZHEXSA-N 1 0 208.309 0.984 10 0 BCAERO COC(C)(C)C[C@H](C)[NH2+][C@@H]1CCS(=O)(=O)C1 ZINC000034963680 343281885 /nfs/dbraw/zinc/28/18/85/343281885.db2.gz GDELPGBWQLAXRP-VHSXEESVSA-N 1 0 249.376 0.967 10 0 BCAERO Cc1cccc(C[NH2+][C@H]2COC[C@@H]2O)c1 ZINC000037894993 187254280 /nfs/dbraw/zinc/25/42/80/187254280.db2.gz ONPAAINPXRBUQV-RYUDHWBXSA-N 1 0 207.273 0.844 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)O1 ZINC000310199001 343379463 /nfs/dbraw/zinc/37/94/63/343379463.db2.gz ANASAFWQUBDFMC-DDHJBXDOSA-N 1 0 238.331 0.764 10 0 BCAERO C[C@@H]1C[C@@H](NC(=O)[C@@H]2C[NH2+]C[C@H]2C)[C@@H](C)O1 ZINC000395038313 362175042 /nfs/dbraw/zinc/17/50/42/362175042.db2.gz CNIUTTMBNXLKIZ-ISUQUUIWSA-N 1 0 226.320 0.524 10 0 BCAERO [NH3+][C@@H]1CCC2(C[C@H]1OC1COC1)OCCO2 ZINC000165453761 343353142 /nfs/dbraw/zinc/35/31/42/343353142.db2.gz GWRFCUCIHMUQLF-NXEZZACHSA-N 1 0 229.276 0.025 10 0 BCAERO CC(=O)NCC[NH2+]Cc1ccccc1C(N)=O ZINC000036746348 187258766 /nfs/dbraw/zinc/25/87/66/187258766.db2.gz FCJMZGCJDSPHMU-UHFFFAOYSA-N 1 0 235.287 0.011 10 0 BCAERO [NH3+]C1(CC(=O)NC[C@H]2CCCC[C@@H]2O)CC1 ZINC000398188511 488213985 /nfs/dbraw/zinc/21/39/85/488213985.db2.gz VZWOBDZUAWHGII-ZJUUUORDSA-N 1 0 226.320 0.535 10 0 BCAERO C[C@@H]1CCN(C(=O)C2([NH3+])CCOCC2)C[C@H]1C ZINC000166226927 136314215 /nfs/dbraw/zinc/31/42/15/136314215.db2.gz JGCSSUOJYVIMMO-GHMZBOCLSA-N 1 0 240.347 0.999 10 0 BCAERO CCOc1ccc(N)cc1C[NH2+]CCO ZINC000039099717 343383579 /nfs/dbraw/zinc/38/35/79/343383579.db2.gz ZHNKNXMLEDWZDC-UHFFFAOYSA-N 1 0 210.277 0.749 10 0 BCAERO COC[C@H](C)[NH2+]CCn1c(C)csc1=O ZINC000308907476 346939230 /nfs/dbraw/zinc/93/92/30/346939230.db2.gz CXSVBIAZGGKUEM-QMMMGPOBSA-N 1 0 230.333 0.843 10 0 BCAERO [NH3+]Cc1cn(CC[C@H]2CCCCO2)nn1 ZINC000641084546 362207437 /nfs/dbraw/zinc/20/74/37/362207437.db2.gz NFKSZISJAJSWMW-SNVBAGLBSA-N 1 0 210.281 0.696 10 0 BCAERO CC1(C)CO[C@H](Cn2cc(C[NH3+])nn2)C1 ZINC000641094838 362221900 /nfs/dbraw/zinc/22/19/00/362221900.db2.gz ZSJJJNMNZFBJCN-VIFPVBQESA-N 1 0 210.281 0.552 10 0 BCAERO CN(C(=O)CN1CCC[C@H]1C[NH3+])C1CC1 ZINC000082595213 343450665 /nfs/dbraw/zinc/45/06/65/343450665.db2.gz LOSPABCYMJNYRP-JTQLQIEISA-N 1 0 211.309 0.030 10 0 BCAERO C[C@@H]1C[C@@H]1CNC(=O)C1(C[NH3+])CCOCC1 ZINC000166851654 136364307 /nfs/dbraw/zinc/36/43/07/136364307.db2.gz WMJUFYIXZOZRJZ-NXEZZACHSA-N 1 0 226.320 0.514 10 0 BCAERO COCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCCN1 ZINC000261997177 536894742 /nfs/dbraw/zinc/89/47/42/536894742.db2.gz UFJQDINCKHKLDK-QJPTWQEYSA-N 1 0 228.336 0.380 10 0 BCAERO Cc1cc([C@@H](O)C[NH2+]CCO)ccc1[N+](=O)[O-] ZINC000150005411 343463514 /nfs/dbraw/zinc/46/35/14/343463514.db2.gz QOUOQTJILTVNBW-NSHDSACASA-N 1 0 240.259 0.519 10 0 BCAERO CC(=O)N1CCC([NH2+]C[C@@H]2COCCO2)CC1 ZINC000037998188 187262156 /nfs/dbraw/zinc/26/21/56/187262156.db2.gz NAAGTMYGSHCAAF-GFCCVEGCSA-N 1 0 242.319 0.002 10 0 BCAERO [NH3+]CC(=O)N1CCC(c2nccs2)CC1 ZINC000083888652 343505726 /nfs/dbraw/zinc/50/57/26/343505726.db2.gz HTLBHEXCIZJRBY-UHFFFAOYSA-N 1 0 225.317 0.808 10 0 BCAERO [NH3+]CCN1CCO[C@@H](c2ccc(CO)cc2)C1 ZINC000616645716 343530557 /nfs/dbraw/zinc/53/05/57/343530557.db2.gz GSAGFROLXDWCOO-CYBMUJFWSA-N 1 0 236.315 0.511 10 0 BCAERO CC(=O)N[C@H]1C[N@H+](C(C)C)CCCO1 ZINC000616653659 343531975 /nfs/dbraw/zinc/53/19/75/343531975.db2.gz SKWWTKDGTBGKRU-SNVBAGLBSA-N 1 0 200.282 0.579 10 0 BCAERO Cc1c(O)c(=O)ccn1CCc1c[nH]cn1 ZINC000045805458 343534415 /nfs/dbraw/zinc/53/44/15/343534415.db2.gz XEUQZOYFEBVYJX-UHFFFAOYSA-N 1 0 219.244 0.828 10 0 BCAERO OCC[N@@H+]1CCCO[C@H](c2cccnc2)C1 ZINC000616678579 343536656 /nfs/dbraw/zinc/53/66/56/343536656.db2.gz JLTGCIDEUGEVJC-LBPRGKRZSA-N 1 0 222.288 0.837 10 0 BCAERO COC[C@H]([NH2+]C[C@@H]1CNC(=O)O1)C(C)C ZINC000379950939 365761204 /nfs/dbraw/zinc/76/12/04/365761204.db2.gz SYJFTVYJCSDOLI-BDAKNGLRSA-N 1 0 216.281 0.355 10 0 BCAERO COC[C@@H](C)[NH2+]CCC(=O)OC(C)C ZINC000379567674 343576647 /nfs/dbraw/zinc/57/66/47/343576647.db2.gz DSLXYDXHEDYSQQ-SECBINFHSA-N 1 0 203.282 0.953 10 0 BCAERO CC(C)([NH2+]CC1(O)CCCCCC1)C(N)=O ZINC000040674954 187264173 /nfs/dbraw/zinc/26/41/73/187264173.db2.gz ORFGNHXOIFFEQT-UHFFFAOYSA-N 1 0 228.336 0.925 10 0 BCAERO [NH3+]C[C@@H]1CCCN1CCOC[C@@H]1CCCO1 ZINC000570162299 323051430 /nfs/dbraw/zinc/05/14/30/323051430.db2.gz JPQDLTDQCLJXNF-RYUDHWBXSA-N 1 0 228.336 0.605 10 0 BCAERO CC(C)[C@H]([NH3+])C(=O)N1CCCC[C@@H]1CCO ZINC000040458621 187264744 /nfs/dbraw/zinc/26/47/44/187264744.db2.gz AUJFTAFCVAVCIM-MNOVXSKESA-N 1 0 228.336 0.733 10 0 BCAERO COC[C@H](CCO)[NH2+]C[C@H](O)C(C)(C)C ZINC000379977510 365772931 /nfs/dbraw/zinc/77/29/31/365772931.db2.gz RBBFKVDKAIGZKE-UWVGGRQHSA-N 1 0 219.325 0.380 10 0 BCAERO CN1CCC([NH2+][C@H]2CCC[C@@H](O)C2)CC1 ZINC000037164635 537788796 /nfs/dbraw/zinc/78/87/96/537788796.db2.gz CZBABMNSVJVMCO-NWDGAFQWSA-N 1 0 212.337 0.974 10 0 BCAERO CC(C)N(CCCO)c1ccc(C(N)=[NH2+])cn1 ZINC000042507748 187265340 /nfs/dbraw/zinc/26/53/40/187265340.db2.gz HZFRFHWDNGPLSX-UHFFFAOYSA-N 1 0 236.319 0.963 10 0 BCAERO CC(C)N(CC(N)=O)C(=O)[C@H]1CCC[C@@H](C)[NH2+]1 ZINC000042439045 187265652 /nfs/dbraw/zinc/26/56/52/187265652.db2.gz FAHZCZNNWUYSKE-NXEZZACHSA-N 1 0 241.335 0.239 10 0 BCAERO CC(C)([NH3+])C(=O)N1CCOCC1(C)C ZINC000042462968 187265786 /nfs/dbraw/zinc/26/57/86/187265786.db2.gz ROKSLDBAMMCMFW-UHFFFAOYSA-N 1 0 200.282 0.361 10 0 BCAERO Cc1n[nH]cc1C[NH2+]C1CCS(=O)CC1 ZINC000042354013 187265982 /nfs/dbraw/zinc/26/59/82/187265982.db2.gz JQPGFWSSVAJLSB-UHFFFAOYSA-N 1 0 227.333 0.719 10 0 BCAERO CC(C)(C)[C@H](C[NH3+])Sc1nc(N)cc(=O)[nH]1 ZINC000043297923 187267212 /nfs/dbraw/zinc/26/72/12/187267212.db2.gz TZSATRTVGISGAU-LURJTMIESA-N 1 0 242.348 0.818 10 0 BCAERO CC1(C)NC(=O)N(C[C@@H]2CCC[NH2+]C2)C1=O ZINC000043493680 187267438 /nfs/dbraw/zinc/26/74/38/187267438.db2.gz PRRJTXQYWLBLFO-MRVPVSSYSA-N 1 0 225.292 0.316 10 0 BCAERO CCn1nccc1[C@H]1NC(=O)CC[C@@H]1[NH3+] ZINC000164980356 259366432 /nfs/dbraw/zinc/36/64/32/259366432.db2.gz JFGHZVHVSATLDV-XVKPBYJWSA-N 1 0 208.265 0.181 10 0 BCAERO CC[N@@H+]1CCC[C@@H]1CN(C)CCC(=O)OC ZINC000086189113 343613709 /nfs/dbraw/zinc/61/37/09/343613709.db2.gz XVQASFNKZFOMDN-LLVKDONJSA-N 1 0 228.336 0.966 10 0 BCAERO CCOC(=O)C[C@@H](O)C[N@@H+]1CC[C@@H](O)C[C@H]1C ZINC000602930174 349822378 /nfs/dbraw/zinc/82/23/78/349822378.db2.gz IYGXUEHECCWBHQ-GMTAPVOTSA-N 1 0 245.319 0.146 10 0 BCAERO CN(C[C@H]1CCCOC1)C(=O)[C@@H]1CC[NH2+]C1 ZINC000082545388 133502234 /nfs/dbraw/zinc/50/22/34/133502234.db2.gz ABGXYRVPPMCGTE-GHMZBOCLSA-N 1 0 226.320 0.481 10 0 BCAERO [NH3+]C[C@@]1(NCc2ccccc2)CCOC1 ZINC000083764315 343664668 /nfs/dbraw/zinc/66/46/68/343664668.db2.gz WHCQBNRDMASYIG-LBPRGKRZSA-N 1 0 206.289 0.894 10 0 BCAERO O=C1NCCC[C@@H]1[NH2+]C[C@H]1CCCOC1 ZINC000082584663 133502930 /nfs/dbraw/zinc/50/29/30/133502930.db2.gz QHFYZLLOXCAFCH-ZJUUUORDSA-N 1 0 212.293 0.281 10 0 BCAERO [NH3+]C1(C(=O)NC[C@H]2CCC[C@@H]2O)CCC1 ZINC000088051434 343699056 /nfs/dbraw/zinc/69/90/56/343699056.db2.gz KWLQPNCAXJFPGN-BDAKNGLRSA-N 1 0 212.293 0.145 10 0 BCAERO CC[NH2+]CCCNC(=O)[C@@H]1CC[C@H](C)O1 ZINC000088142034 343709149 /nfs/dbraw/zinc/70/91/49/343709149.db2.gz HZYMHNFCHKRMHQ-UWVGGRQHSA-N 1 0 214.309 0.670 10 0 BCAERO CC(C)(C)NC(=O)CN1CCC[C@H]1C[NH3+] ZINC000082595236 133503302 /nfs/dbraw/zinc/50/33/02/133503302.db2.gz WBBTWNVVLIWGRM-VIFPVBQESA-N 1 0 213.325 0.324 10 0 BCAERO C[C@H](CO)[NH+]1CCC2(CC1)OCCO2 ZINC000107143870 343705646 /nfs/dbraw/zinc/70/56/46/343705646.db2.gz HXERMSDOHJUNJE-SECBINFHSA-N 1 0 201.266 0.206 10 0 BCAERO CCOC(=O)C[C@H]([NH3+])[C@H]1CCCOC1 ZINC000082584644 537805621 /nfs/dbraw/zinc/80/56/21/537805621.db2.gz KJPSZCLGCXVTRS-IUCAKERBSA-N 1 0 201.266 0.694 10 0 BCAERO COC[C@@H]([NH3+])C(=O)Nc1ccc(C)cc1 ZINC000088002432 343689422 /nfs/dbraw/zinc/68/94/22/343689422.db2.gz GXJYOZLTXRALCT-SNVBAGLBSA-N 1 0 208.261 0.907 10 0 BCAERO CCCN(C(=O)[C@@H]([NH3+])COC)C1CC1 ZINC000088002650 343689631 /nfs/dbraw/zinc/68/96/31/343689631.db2.gz FLYXFXWXKHYVGR-VIFPVBQESA-N 1 0 200.282 0.361 10 0 BCAERO COC[C@H]([NH3+])C(=O)Nc1ccc(C)cn1 ZINC000088002519 343689642 /nfs/dbraw/zinc/68/96/42/343689642.db2.gz OPRAVGKBHKWYML-QMMMGPOBSA-N 1 0 209.249 0.302 10 0 BCAERO C([NH2+]C1CC1)[C@H]1CC[C@@H](CN2CCOCC2)O1 ZINC000052377952 187271541 /nfs/dbraw/zinc/27/15/41/187271541.db2.gz CHFOMSPRCHUWBU-OLZOCXBDSA-N 1 0 240.347 0.618 10 0 BCAERO C[C@H]([NH3+])Cc1ccc(S(N)(=O)=O)cc1 ZINC000059555932 343710543 /nfs/dbraw/zinc/71/05/43/343710543.db2.gz ZWIVSZLMVAZHKU-ZETCQYMHSA-N 1 0 214.290 0.224 10 0 BCAERO Cn1cc([C@@H]2CCN(C(=O)C[NH2+]C3CC3)C2)cn1 ZINC000154666321 343746115 /nfs/dbraw/zinc/74/61/15/343746115.db2.gz ZUNPXFXBRRNUOJ-SNVBAGLBSA-N 1 0 248.330 0.488 10 0 BCAERO C[NH+](C)[C@H]1CCN(c2cc(N)ns2)C1 ZINC000234247064 343747105 /nfs/dbraw/zinc/74/71/05/343747105.db2.gz OIIIAYKLKVLALH-ZETCQYMHSA-N 1 0 212.322 0.866 10 0 BCAERO CN(C(=O)c1cccc(N)n1)[C@@H]1CCC[N@H+](C)C1 ZINC000053251010 187272403 /nfs/dbraw/zinc/27/24/03/187272403.db2.gz PHKKIDYIXBVSMH-SNVBAGLBSA-N 1 0 248.330 0.830 10 0 BCAERO CC[C@H](C)[C@H](O)CNC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000262605172 349858124 /nfs/dbraw/zinc/85/81/24/349858124.db2.gz ARSDLZYKRWZDIZ-XWLWVQCSSA-N 1 0 228.336 0.637 10 0 BCAERO CCOC[C@@H]1CCN(C(=O)[C@H]2CC[C@H]([NH3+])C2)C1 ZINC000262609104 349858243 /nfs/dbraw/zinc/85/82/43/349858243.db2.gz ABAQLMCJZJAYKG-WOPDTQHZSA-N 1 0 240.347 0.999 10 0 BCAERO CN(C(=O)c1ccc(N)nn1)[C@@H]1CCC[N@H+](C)C1 ZINC000053250881 187272632 /nfs/dbraw/zinc/27/26/32/187272632.db2.gz AISSRBPLCRRLIK-SECBINFHSA-N 1 0 249.318 0.225 10 0 BCAERO C[C@@H]1COC[C@H](C)N1C(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000262651006 349861378 /nfs/dbraw/zinc/86/13/78/349861378.db2.gz XAMBDRNGOBQTBL-VLEAKVRGSA-N 1 0 226.320 0.750 10 0 BCAERO [NH3+][C@@H]1CCC2(C[C@H]1n1ccnc1)OCCO2 ZINC000023072027 344038995 /nfs/dbraw/zinc/03/89/95/344038995.db2.gz WTWHZOQWAJDPKO-NXEZZACHSA-N 1 0 223.276 0.679 10 0 BCAERO NNc1ccc(-c2cc(N)ccc2O)n[nH+]1 ZINC000000537411 346987858 /nfs/dbraw/zinc/98/78/58/346987858.db2.gz UGYBTSGLWIAUTK-UHFFFAOYSA-N 1 0 217.232 0.717 10 0 BCAERO Cc1ccc(CNC(=O)[C@@H]2C[NH2+]C[C@@H]2C)cn1 ZINC000104228844 178595862 /nfs/dbraw/zinc/59/58/62/178595862.db2.gz BIBOQKAFHKEOTK-JOYOIKCWSA-N 1 0 233.315 0.862 10 0 BCAERO C[C@@H]1C[C@@H](O)C[N@H+](CCOC2CCOCC2)C1 ZINC000625463310 343866910 /nfs/dbraw/zinc/86/69/10/343866910.db2.gz ANYOGSYQYSHTEF-VXGBXAGGSA-N 1 0 243.347 0.885 10 0 BCAERO CO[C@@H](C[NH3+])c1nc2nccnc2s1 ZINC000227296843 343871450 /nfs/dbraw/zinc/87/14/50/343871450.db2.gz WNLBMIMFZSKMPT-YFKPBYRVSA-N 1 0 210.262 0.733 10 0 BCAERO COC(=O)CCCNC(=O)[C@@H]1CCC[C@H]1[NH3+] ZINC000082921298 133508326 /nfs/dbraw/zinc/50/83/26/133508326.db2.gz WURFLDZQCDOFEN-RKDXNWHRSA-N 1 0 228.292 0.183 10 0 BCAERO COC(=O)C[C@H](C)[N@H+]1[C@@H]2CC[C@H]1CC(O)C2 ZINC000072986122 187277838 /nfs/dbraw/zinc/27/78/38/187277838.db2.gz ZHTRQBQOFXTKEL-GKDVJIACSA-N 1 0 227.304 0.926 10 0 BCAERO [NH3+][C@@H]1CCC[C@H]1C(=O)NCc1cscn1 ZINC000082921928 133508836 /nfs/dbraw/zinc/50/88/36/133508836.db2.gz XGSFFDOZTOAYPR-RKDXNWHRSA-N 1 0 225.317 0.887 10 0 BCAERO CC[C@@H](O)C[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000106386930 347015490 /nfs/dbraw/zinc/01/54/90/347015490.db2.gz ZLWMJIPEIPDQJZ-NWDGAFQWSA-N 1 0 238.335 0.761 10 0 BCAERO C[Si](C)(C)C[N@@H+]1CCNC[C@@H](O)C1 ZINC000401864344 343915998 /nfs/dbraw/zinc/91/59/98/343915998.db2.gz RTGIDZUSFDINHM-SECBINFHSA-N 1 0 202.374 0.130 10 0 BCAERO CC(C)([NH3+])c1cn(CCO[C@H]2CC2(F)F)nn1 ZINC000641185287 362260868 /nfs/dbraw/zinc/26/08/68/362260868.db2.gz RWUUONYFIIBJQT-QMMMGPOBSA-N 1 0 246.261 0.896 10 0 BCAERO Cn1ccs/c1=N\C(=O)[C@H]1CCC[NH2+]C1 ZINC000122991688 187355990 /nfs/dbraw/zinc/35/59/90/187355990.db2.gz CESXFOBBXSYZQQ-UGFBRPNYSA-N 1 0 225.317 0.514 10 0 BCAERO CC(C)(C)[C@@H]([NH3+])C(=O)NC[C@H]1CCCOC1 ZINC000077558905 187280298 /nfs/dbraw/zinc/28/02/98/187280298.db2.gz HUKLVEYHOUEJTH-ZJUUUORDSA-N 1 0 228.336 0.903 10 0 BCAERO CC(C)N(C)C(=O)CCCCN1CC[NH2+]CC1 ZINC000077388872 187280415 /nfs/dbraw/zinc/28/04/15/187280415.db2.gz GASNCSIHHFQRPJ-UHFFFAOYSA-N 1 0 241.379 0.929 10 0 BCAERO CCCS(=O)(=O)N[C@@H]1CCC[N@H+](CC)C1 ZINC000070265658 343950160 /nfs/dbraw/zinc/95/01/60/343950160.db2.gz IGBVHXHQTHBUPJ-SNVBAGLBSA-N 1 0 234.365 0.800 10 0 BCAERO C[C@H](O)CNC(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000070502748 343951898 /nfs/dbraw/zinc/95/18/98/343951898.db2.gz FMKONZZTEJTSQB-CIUDSAMLSA-N 1 0 200.282 0.001 10 0 BCAERO CO[C@@H]1CCC[C@@H](OC[C@@H]2C[NH2+]CCO2)C1 ZINC000070834217 343956348 /nfs/dbraw/zinc/95/63/48/343956348.db2.gz AGFPYZZBBMOBMQ-UTUOFQBUSA-N 1 0 229.320 0.949 10 0 BCAERO Cc1nnsc1CN[C@@]1(C)CC[NH2+]C1 ZINC000307636374 343956393 /nfs/dbraw/zinc/95/63/93/343956393.db2.gz UKRNRJWHIBFFAP-VIFPVBQESA-N 1 0 212.322 0.688 10 0 BCAERO CC(C)CC[C@H](O)Cn1cc(C[NH3+])nn1 ZINC000641228412 362281971 /nfs/dbraw/zinc/28/19/71/362281971.db2.gz JMQNBBBDVFLEMB-JTQLQIEISA-N 1 0 212.297 0.534 10 0 BCAERO [NH3+]Cc1cn(C[C@H](O)C2CCCCC2)nn1 ZINC000641224649 362283397 /nfs/dbraw/zinc/28/33/97/362283397.db2.gz YQTYRCLRLHEFND-NSHDSACASA-N 1 0 224.308 0.678 10 0 BCAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)COC ZINC000092677453 343960903 /nfs/dbraw/zinc/96/09/03/343960903.db2.gz SQHPMHOCRPERGP-JTQLQIEISA-N 1 0 214.309 0.576 10 0 BCAERO CC(=O)Nc1cccc(C2([NH3+])COC2)c1 ZINC000091691773 187286770 /nfs/dbraw/zinc/28/67/70/187286770.db2.gz MLRKVUYNCZPWGU-UHFFFAOYSA-N 1 0 206.245 0.829 10 0 BCAERO CC(=O)N1CCN(C(=O)[C@@H]([NH3+])C(C)C)C[C@H]1C ZINC000091351790 187287084 /nfs/dbraw/zinc/28/70/84/187287084.db2.gz MDBSUOXAYHBCOB-KOLCDFICSA-N 1 0 241.335 0.049 10 0 BCAERO CCN(Cc1ccccc1)[C@H]1C[NH2+]C[C@H]1O ZINC000249720850 362334355 /nfs/dbraw/zinc/33/43/55/362334355.db2.gz ZURISVYZUSOJGR-QWHCGFSZSA-N 1 0 220.316 0.841 10 0 BCAERO C[C@H](C[N@@H+]1CCC[C@@](C)(O)C1)C(N)=S ZINC000157436143 344102323 /nfs/dbraw/zinc/10/23/23/344102323.db2.gz CEMWGPSMYUYSJL-PSASIEDQSA-N 1 0 216.350 0.755 10 0 BCAERO C([C@@H]1CO[C@]2(C1)C[NH2+]CCOC2)[NH+]1CCCC1 ZINC000096240650 187289122 /nfs/dbraw/zinc/28/91/22/187289122.db2.gz INBQPZGALFHFQN-CHWSQXEVSA-N 1 0 240.347 0.477 10 0 BCAERO NS(=O)(=O)c1cccc(C[NH3+])c1OC1CC1 ZINC000095738092 187288061 /nfs/dbraw/zinc/28/80/61/187288061.db2.gz SHDWRVRRGRYDBK-UHFFFAOYSA-N 1 0 242.300 0.334 10 0 BCAERO O=C(NC[C@@H]1CCCO1)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634735554 344123831 /nfs/dbraw/zinc/12/38/31/344123831.db2.gz KGWXPBAUVKSDPK-GVXVVHGQSA-N 1 0 238.331 0.671 10 0 BCAERO O=C(NCC1CC1)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634736647 344127374 /nfs/dbraw/zinc/12/73/74/344127374.db2.gz UXEZDXIAPXRQLV-JQWIXIFHSA-N 1 0 208.305 0.902 10 0 BCAERO COC[C@H](C)NC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634736750 344128547 /nfs/dbraw/zinc/12/85/47/344128547.db2.gz YRBRBQTZJMOLCX-NHCYSSNCSA-N 1 0 226.320 0.527 10 0 BCAERO O=C(C1CCOCC1)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000616573074 344184169 /nfs/dbraw/zinc/18/41/69/344184169.db2.gz WKLLKYOCZMYGIS-NEPJUHHUSA-N 1 0 238.331 0.766 10 0 BCAERO COC(=O)/C=C/C(=O)N1CC[C@H]2[NH2+]CCC[C@H]21 ZINC000616573453 344186685 /nfs/dbraw/zinc/18/66/85/344186685.db2.gz YNPVFPOLCZLQTQ-NUNSBDKSSA-N 1 0 238.287 0.069 10 0 BCAERO CC[C@H](O)CCNC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634748855 344186743 /nfs/dbraw/zinc/18/67/43/344186743.db2.gz UGAQAYKIVHUOLU-GVXVVHGQSA-N 1 0 240.347 0.653 10 0 BCAERO O=C(N[C@@H]1CCCOC1)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634749196 344189554 /nfs/dbraw/zinc/18/95/54/344189554.db2.gz IXGNFMQOJXJCFN-LOWVWBTDSA-N 1 0 238.331 0.671 10 0 BCAERO COC(=O)CCNC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000084310228 344190821 /nfs/dbraw/zinc/19/08/21/344190821.db2.gz OAJXOINQVYYMTK-IUCAKERBSA-N 1 0 228.292 0.041 10 0 BCAERO [NH3+][C@H]1CC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2O)C1 ZINC000085012667 344201150 /nfs/dbraw/zinc/20/11/50/344201150.db2.gz SPPIMLKNKHGWLF-LMLFDSFASA-N 1 0 226.320 0.534 10 0 BCAERO Cc1cc(CNC(=O)[C@]23CCC[C@H]2C[NH2+]C3)[nH]n1 ZINC000634751115 344201374 /nfs/dbraw/zinc/20/13/74/344201374.db2.gz LFTKKBZMVLNDRN-GWCFXTLKSA-N 1 0 248.330 0.724 10 0 BCAERO C[C@H](C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1)n1cncn1 ZINC000381215185 344205914 /nfs/dbraw/zinc/20/59/14/344205914.db2.gz FKYYNUOJCHQCFB-LMLFDSFASA-N 1 0 249.318 0.035 10 0 BCAERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)N1C[C@@H]2COC[C@@H]2C1 ZINC000634773594 344292009 /nfs/dbraw/zinc/29/20/09/344292009.db2.gz JMBBUTRMRZIRKU-NNYUYHANSA-N 1 0 238.331 0.479 10 0 BCAERO COC(=O)N1CCN(C[C@H]2CCC[NH2+]C2)CC1 ZINC000212487291 344242268 /nfs/dbraw/zinc/24/22/68/344242268.db2.gz KNGILYXCFSDIDY-NSHDSACASA-N 1 0 241.335 0.370 10 0 BCAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cn[nH]n1 ZINC000093220909 344312727 /nfs/dbraw/zinc/31/27/27/344312727.db2.gz AIDNNBKZPDOMFA-VIFPVBQESA-N 1 0 237.307 0.361 10 0 BCAERO [NH3+]C1(C(=O)Nc2nccc(Cl)n2)CC1 ZINC000236200719 344316674 /nfs/dbraw/zinc/31/66/74/344316674.db2.gz HIAZXVIXNZOCKC-UHFFFAOYSA-N 1 0 212.640 0.560 10 0 BCAERO Cc1nccc(CNC(=O)C(C)(C)[NH3+])n1 ZINC000040924306 187290612 /nfs/dbraw/zinc/29/06/12/187290612.db2.gz KPDKTDZCCHJKGP-UHFFFAOYSA-N 1 0 208.265 0.139 10 0 BCAERO OCCc1ccc([C@H]2COCC[NH2+]2)cc1 ZINC000215375711 344366580 /nfs/dbraw/zinc/36/65/80/344366580.db2.gz BCHFWLYENHSUGN-GFCCVEGCSA-N 1 0 207.273 0.882 10 0 BCAERO [NH3+][C@H](CO)[C@@H](O)c1ccc(F)cc1Cl ZINC000236314688 344355210 /nfs/dbraw/zinc/35/52/10/344355210.db2.gz KQLSAQHTMIJRSH-BDAKNGLRSA-N 1 0 219.643 0.832 10 0 BCAERO CS(=O)(=O)[C@@H]1CCC[C@@H]([C@H](F)C[NH3+])C1 ZINC000158062840 344359009 /nfs/dbraw/zinc/35/90/09/344359009.db2.gz NNCYETDRVMLJRK-IWSPIJDZSA-N 1 0 223.313 0.887 10 0 BCAERO COC(=O)CCCCN1C[C@H](C)[C@H]([NH3+])C1 ZINC000600710277 344360779 /nfs/dbraw/zinc/36/07/79/344360779.db2.gz MZXVXJLUHIAZHD-VHSXEESVSA-N 1 0 214.309 0.609 10 0 BCAERO CC(C)N(CC[NH3+])C(=O)[C@H]1CCOC1 ZINC000041056135 187291071 /nfs/dbraw/zinc/29/10/71/187291071.db2.gz RTSRCUVLXBIVOO-VIFPVBQESA-N 1 0 200.282 0.219 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)O1 ZINC000300047411 344380519 /nfs/dbraw/zinc/38/05/19/344380519.db2.gz DICJFTDVLAIDII-ZYUZMQFOSA-N 1 0 212.293 0.360 10 0 BCAERO C[NH2+][C@H](C)CNc1ncnc2c1ncn2C ZINC000634810259 344394921 /nfs/dbraw/zinc/39/49/21/344394921.db2.gz RDFBKYAQNGLGGJ-SSDOTTSWSA-N 1 0 220.280 0.383 10 0 BCAERO c1cc2c(ncnc2N2CCO[C@H]3C[NH2+]C[C@H]32)[nH]1 ZINC000634811126 344395965 /nfs/dbraw/zinc/39/59/65/344395965.db2.gz USELBGDMEDZKLL-ZJUUUORDSA-N 1 0 245.286 0.135 10 0 BCAERO OCCc1ccc([C@H]2C[NH2+]CCOC2)cc1 ZINC000616599347 344442856 /nfs/dbraw/zinc/44/28/56/344442856.db2.gz XLRLAKMTBYGPGH-ZDUSSCGKSA-N 1 0 221.300 0.925 10 0 BCAERO COC[C@@H](C)[NH2+]CC(=O)N1CCC(C)CC1 ZINC000381430887 344505291 /nfs/dbraw/zinc/50/52/91/344505291.db2.gz BLWGRYKRIOQWDE-LLVKDONJSA-N 1 0 228.336 0.869 10 0 BCAERO CN(Cc1cc[nH]n1)C(=O)C[C@H]1CCC[NH2+]C1 ZINC000400299630 344464717 /nfs/dbraw/zinc/46/47/17/344464717.db2.gz TUMRBVQEIQUGGT-SNVBAGLBSA-N 1 0 236.319 0.758 10 0 BCAERO CC[NH2+][C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O ZINC000214971901 537847283 /nfs/dbraw/zinc/84/72/83/537847283.db2.gz HQFKNUUSTSSIEQ-IUCAKERBSA-N 1 0 230.308 0.576 10 0 BCAERO OCCN1CCC[C@H]([NH2+]Cc2nccs2)C1 ZINC000381509122 344514911 /nfs/dbraw/zinc/51/49/11/344514911.db2.gz VEIQLZWYTVRVSQ-JTQLQIEISA-N 1 0 241.360 0.689 10 0 BCAERO NC(=O)c1ccc([C@@H]2CCN(CC[NH3+])C2)cc1 ZINC000616614408 344529764 /nfs/dbraw/zinc/52/97/64/344529764.db2.gz NLZFZPYGXJFWPG-GFCCVEGCSA-N 1 0 233.315 0.534 10 0 BCAERO C[C@H](CO)NC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000127477505 344546176 /nfs/dbraw/zinc/54/61/76/344546176.db2.gz BKQMATVIOALCIE-PSASIEDQSA-N 1 0 200.282 0.016 10 0 BCAERO C[C@H](CC(N)=O)NC1=[NH+]C[C@H](C)CS1 ZINC000220576202 344554036 /nfs/dbraw/zinc/55/40/36/344554036.db2.gz JPXOJJUKWVDQJN-NKWVEPMBSA-N 1 0 215.322 0.579 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N1CCN(C2CC2)CC1 ZINC000037827022 344593712 /nfs/dbraw/zinc/59/37/12/344593712.db2.gz GKAYHISFZVFGLX-NSHDSACASA-N 1 0 225.336 0.420 10 0 BCAERO COCCN(CCOC)[C@H]1CCC[C@@H]1[NH3+] ZINC000042442554 187291852 /nfs/dbraw/zinc/29/18/52/187291852.db2.gz UNQAZUXMZISSFW-QWRGUYRKSA-N 1 0 216.325 0.461 10 0 BCAERO [NH3+][C@@H]1CCN([C@@H]2CCCSC2)C1=O ZINC000220772117 344581380 /nfs/dbraw/zinc/58/13/80/344581380.db2.gz LDFIYCBYOGUASU-HTQZYQBOSA-N 1 0 200.307 0.442 10 0 BCAERO C(CSc1nnnn1C1CC1)[NH2+]C1CC1 ZINC000042408883 187291892 /nfs/dbraw/zinc/29/18/92/187291892.db2.gz NEAKJBQHNYZJFC-UHFFFAOYSA-N 1 0 225.321 0.852 10 0 BCAERO CCOC(=O)C[C@H](O)C[N@@H+]1CCS[C@@H](C)C1 ZINC000220984437 344655345 /nfs/dbraw/zinc/65/53/45/344655345.db2.gz KSZZTXJQGFWXAM-UWVGGRQHSA-N 1 0 247.360 0.738 10 0 BCAERO CC(C)(O)C[N@@H+]1CCO[C@H](CCF)C1 ZINC000626002791 344663786 /nfs/dbraw/zinc/66/37/86/344663786.db2.gz UXXICOAAWYJYOG-SECBINFHSA-N 1 0 205.273 0.818 10 0 BCAERO C[C@@H](Cc1cccs1)N1C[C@@H]([NH3+])C1=O ZINC000227625665 344676008 /nfs/dbraw/zinc/67/60/08/344676008.db2.gz PUWWVPVFSAOQME-IONNQARKSA-N 1 0 210.302 0.849 10 0 BCAERO [NH3+]C[C@@H](O)c1ccncc1Br ZINC000215481463 344677679 /nfs/dbraw/zinc/67/76/79/344677679.db2.gz IBXPOYQVFDDCHJ-SSDOTTSWSA-N 1 0 217.066 0.836 10 0 BCAERO CC(C)[N@H+](CCO)[C@H]1CCCC[C@@H]1[NH3+] ZINC000042480538 187291970 /nfs/dbraw/zinc/29/19/70/187291970.db2.gz JBKAQBYMPBCOPA-QWRGUYRKSA-N 1 0 200.326 0.959 10 0 BCAERO CCC(=[NH2+])N1C[C@H](CO)OC(C)(C)C1 ZINC000158751873 344739271 /nfs/dbraw/zinc/73/92/71/344739271.db2.gz MLCJPCDQTBESNA-MRVPVSSYSA-N 1 0 200.282 0.845 10 0 BCAERO CCOC(=O)CCC(=O)N(CC)[C@H]1CC[NH2+]C1 ZINC000310506076 344755146 /nfs/dbraw/zinc/75/51/46/344755146.db2.gz SPTLRQMUWCPJMP-JTQLQIEISA-N 1 0 242.319 0.540 10 0 BCAERO COC(=O)c1cncc(N[C@H]2CC[NH2+]C2)n1 ZINC000085693680 347077659 /nfs/dbraw/zinc/07/76/59/347077659.db2.gz KTVGBOMCHBNBFG-ZETCQYMHSA-N 1 0 222.248 0.037 10 0 BCAERO C[C@@](O)(C[C@H]1COCC[NH2+]1)C(F)(F)F ZINC000166204837 344788169 /nfs/dbraw/zinc/78/81/69/344788169.db2.gz SNGQCJRZNUBQHG-NKWVEPMBSA-N 1 0 213.199 0.678 10 0 BCAERO COCC[C@H](C)[NH2+][C@@H]1CCCNC1=O ZINC000050395551 344808215 /nfs/dbraw/zinc/80/82/15/344808215.db2.gz AEGPNDCBSZPWCX-DTWKUNHWSA-N 1 0 200.282 0.280 10 0 BCAERO C[NH2+][C@H]1CCCN(C(=O)C(F)(F)F)C1 ZINC000062810283 347082188 /nfs/dbraw/zinc/08/21/88/347082188.db2.gz BNDUVPAHTUNXRE-LURJTMIESA-N 1 0 210.199 0.759 10 0 BCAERO CSc1cc(N2CC[C@H]([NH3+])C2)ncn1 ZINC000235112442 344800904 /nfs/dbraw/zinc/80/09/04/344800904.db2.gz BOYNTBVWGIFBKY-ZETCQYMHSA-N 1 0 210.306 0.736 10 0 BCAERO C[C@@H]1CN(C[C@H]2C[C@H]([NH3+])C2)C[C@H](C)S1(=O)=O ZINC000675053254 537864995 /nfs/dbraw/zinc/86/49/95/537864995.db2.gz GTPIZPLFVIIDEC-BIBSGERRSA-N 1 0 246.376 0.231 10 0 BCAERO C[C@@H]([NH3+])CC(=O)N[C@@]1(C)CCCOC1 ZINC000235155312 344824170 /nfs/dbraw/zinc/82/41/70/344824170.db2.gz DLOCGRIHELFMKX-SCZZXKLOSA-N 1 0 200.282 0.409 10 0 BCAERO CCCCNC(=O)NCC1([NH2+]C)CCOCC1 ZINC000675053332 537863826 /nfs/dbraw/zinc/86/38/26/537863826.db2.gz IBNZSKRTUSZWPY-UHFFFAOYSA-N 1 0 243.351 0.854 10 0 BCAERO C[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1cnns1 ZINC000166306879 344851975 /nfs/dbraw/zinc/85/19/75/344851975.db2.gz QEIQGLUJWAGOLF-NTSWFWBYSA-N 1 0 212.278 0.475 10 0 BCAERO Cc1ccc(NC(=O)[C@H]2C[NH2+][C@H](C)CN2)cc1 ZINC000062813989 178748921 /nfs/dbraw/zinc/74/89/21/178748921.db2.gz IKQYWFGWTLRSNP-ZYHUDNBSSA-N 1 0 233.315 0.883 10 0 BCAERO CC[NH2+]C(C)(C)C(=O)Nc1cnns1 ZINC000166288475 344842742 /nfs/dbraw/zinc/84/27/42/344842742.db2.gz LBGMWHDZRPGCAP-UHFFFAOYSA-N 1 0 214.294 0.865 10 0 BCAERO Cc1ccc(NCCN2CC[NH2+]CC2)nc1 ZINC000036279074 178757963 /nfs/dbraw/zinc/75/79/63/178757963.db2.gz DHXVLRSFOQNDCB-UHFFFAOYSA-N 1 0 220.320 0.707 10 0 BCAERO [NH3+][C@@H]1CCCC[C@@H]1NC(=O)[C@H]1CCCO1 ZINC000166379744 344880434 /nfs/dbraw/zinc/88/04/34/344880434.db2.gz ONWGWKFUNMMXFJ-KXUCPTDWSA-N 1 0 212.293 0.552 10 0 BCAERO CC(=O)N[C@H]1CCCN(C(=O)[C@H]([NH3+])C(C)C)C1 ZINC000037815203 187293954 /nfs/dbraw/zinc/29/39/54/187293954.db2.gz YHRSGTSNEJSAOV-WDEREUQCSA-N 1 0 241.335 0.097 10 0 BCAERO C[C@@H]1CN[C@H](C(=O)NCc2ccccc2)C[NH2+]1 ZINC000062813846 347084889 /nfs/dbraw/zinc/08/48/89/347084889.db2.gz PDAVNLYJLYKTKV-PWSUYJOCSA-N 1 0 233.315 0.253 10 0 BCAERO C[C@@H](NC(=O)[C@@]1(C)CCC[NH2+]1)c1cnn(C)c1 ZINC000120672546 344897417 /nfs/dbraw/zinc/89/74/17/344897417.db2.gz DMQGPLSEBZQVOJ-BXKDBHETSA-N 1 0 236.319 0.739 10 0 BCAERO C[C@H](CC(F)(F)F)N1C[C@H]([NH3+])CC1=O ZINC000235409825 344904854 /nfs/dbraw/zinc/90/48/54/344904854.db2.gz CJPUXUYCQMLJMA-PHDIDXHHSA-N 1 0 210.199 0.887 10 0 BCAERO Cn1cccc1C(=O)CN1CCC[C@@H]([NH3+])C1 ZINC000050149784 187294741 /nfs/dbraw/zinc/29/47/41/187294741.db2.gz KNFWOGVQFYURKT-SNVBAGLBSA-N 1 0 221.304 0.631 10 0 BCAERO CCC[NH2+][C@H](Cn1nccc1C)C(N)=O ZINC000070686823 537877573 /nfs/dbraw/zinc/87/75/73/537877573.db2.gz FBXOFMSWMONZMJ-SECBINFHSA-N 1 0 210.281 0.045 10 0 BCAERO CCC[NH2+][C@H](Cn1ccc(C)n1)C(N)=O ZINC000070686336 537877597 /nfs/dbraw/zinc/87/75/97/537877597.db2.gz QMCOGMHMYLGOGG-SECBINFHSA-N 1 0 210.281 0.045 10 0 BCAERO O=C(Nc1cnccc1Cl)C1C[NH2+]C1 ZINC000166725284 344974736 /nfs/dbraw/zinc/97/47/36/344974736.db2.gz BBMLTGCTHLOOQT-UHFFFAOYSA-N 1 0 211.652 0.893 10 0 BCAERO C[NH2+][C@@](C)(CCn1ccc(C)n1)C(N)=O ZINC000070686489 537878986 /nfs/dbraw/zinc/87/89/86/537878986.db2.gz SHMSVDGBGFQVEB-JTQLQIEISA-N 1 0 210.281 0.045 10 0 BCAERO COC(=O)[C@@](C)([NH3+])CCn1nccc1C ZINC000070686858 537879067 /nfs/dbraw/zinc/87/90/67/537879067.db2.gz NLOOIWOPDILOPV-JTQLQIEISA-N 1 0 211.265 0.472 10 0 BCAERO Cc1ccnn1CCC[C@](C)([NH3+])C(N)=O ZINC000070687175 537879186 /nfs/dbraw/zinc/87/91/86/537879186.db2.gz NSHWRMHVNUYWIF-JTQLQIEISA-N 1 0 210.281 0.174 10 0 BCAERO COC(=O)c1cncc(N2C[C@@H]([NH3+])C[C@H]2C)n1 ZINC000600963689 344948928 /nfs/dbraw/zinc/94/89/28/344948928.db2.gz YOYAHBLPYMTWDN-SFYZADRCSA-N 1 0 236.275 0.189 10 0 BCAERO CC(C)(C)OC(=O)NC[C@H]1COCCC[NH2+]1 ZINC000238172277 344981382 /nfs/dbraw/zinc/98/13/82/344981382.db2.gz INKZYWPWCIWJCR-VIFPVBQESA-N 1 0 230.308 0.890 10 0 BCAERO C[N@@H+]1CCCN(C2N=NC(=S)S2)CC1 ZINC000044241461 344991422 /nfs/dbraw/zinc/99/14/22/344991422.db2.gz MDRGJGXTCRTABH-UHFFFAOYSA-N 1 0 230.362 0.969 10 0 BCAERO C[C@@H]1CC[C@@H](C(=O)NC[C@@H]2CCC[N@@H+]2C)O1 ZINC000154667109 345046490 /nfs/dbraw/zinc/04/64/90/345046490.db2.gz MRZISDGTFCVVQP-VWYCJHECSA-N 1 0 226.320 0.764 10 0 BCAERO C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1O ZINC000238331553 345024227 /nfs/dbraw/zinc/02/42/27/345024227.db2.gz VSTNDELWOIWDMK-RKDXNWHRSA-N 1 0 230.308 0.576 10 0 BCAERO CC(C)C[C@H]([NH3+])C(=O)N1CCC([C@H](C)O)CC1 ZINC000155199993 345071295 /nfs/dbraw/zinc/07/12/95/345071295.db2.gz QOLFFIHYJNEVPU-JQWIXIFHSA-N 1 0 242.363 0.979 10 0 BCAERO Cc1ccc(S(=O)(=O)CCOCC[NH3+])cc1 ZINC000057534239 178823603 /nfs/dbraw/zinc/82/36/03/178823603.db2.gz BFWAHENBNYNURP-UHFFFAOYSA-N 1 0 243.328 0.744 10 0 BCAERO CC[C@@H](NC[C@@H]1C[NH2+]CC12CC2)C(=O)OC ZINC000675076118 537888905 /nfs/dbraw/zinc/88/89/05/537888905.db2.gz YZAKTRQKEAXSES-VHSXEESVSA-N 1 0 226.320 0.527 10 0 BCAERO C[NH+]1CCC(CN2CCC(=O)CC2)CC1 ZINC000044518771 345105525 /nfs/dbraw/zinc/10/55/25/345105525.db2.gz ABFVYWNJGHYITJ-UHFFFAOYSA-N 1 0 210.321 0.993 10 0 BCAERO C[N@@H+]1CCC[C@H](CN2CN=NC2=S)C1 ZINC000044538139 345112992 /nfs/dbraw/zinc/11/29/92/345112992.db2.gz OXTDMPACNGMSQJ-QMMMGPOBSA-N 1 0 212.322 0.909 10 0 BCAERO C[C@H]1CN(CC23CC(C2)C[NH2+]3)C[C@H](C)O1 ZINC000634991754 345178409 /nfs/dbraw/zinc/17/84/09/345178409.db2.gz QKOVOGRQWCAHHR-JYBOHDQNSA-N 1 0 210.321 0.848 10 0 BCAERO C[C@@H]1C[C@@H](N[C@@H]2CCCNC2=O)CC[N@@H+]1C ZINC000156198801 345134391 /nfs/dbraw/zinc/13/43/91/345134391.db2.gz QLWSMQFVIVBHBR-OUAUKWLOSA-N 1 0 225.336 0.337 10 0 BCAERO Cc1nn(C)cc1-c1cnn(CCC[NH3+])c1 ZINC000390086945 345226823 /nfs/dbraw/zinc/22/68/23/345226823.db2.gz GRQBVQXWMFPQIO-UHFFFAOYSA-N 1 0 219.292 0.941 10 0 BCAERO [NH3+]C[C@@H]1COCCN1Cc1ccsc1 ZINC000129748719 345262213 /nfs/dbraw/zinc/26/22/13/345262213.db2.gz OBISMUJDUBEXMG-SNVBAGLBSA-N 1 0 212.318 0.908 10 0 BCAERO COc1c(CN(C)[C@@H]2CC[NH2+]C2)c(C)nn1C ZINC000158496276 345340124 /nfs/dbraw/zinc/34/01/24/345340124.db2.gz DFLAFLWCRUTZBN-SNVBAGLBSA-N 1 0 238.335 0.531 10 0 BCAERO NNc1cc(NCC(F)F)nc(N)[nH+]1 ZINC000148242402 345381551 /nfs/dbraw/zinc/38/15/51/345381551.db2.gz MENJEMWTRIPJIO-UHFFFAOYSA-N 1 0 204.184 0.021 10 0 BCAERO NNc1nc(NCC(F)F)c(F)c[nH+]1 ZINC000148243826 345383901 /nfs/dbraw/zinc/38/39/01/345383901.db2.gz MROKWXAHKAYRJQ-UHFFFAOYSA-N 1 0 207.159 0.578 10 0 BCAERO CC(C)(C)ONC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000134512920 345414010 /nfs/dbraw/zinc/41/40/10/345414010.db2.gz XVEGCJDTCNITMR-YUMQZZPRSA-N 1 0 200.282 0.960 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N1CCC[C@H]1c1ccncc1 ZINC000159626216 345450694 /nfs/dbraw/zinc/45/06/94/345450694.db2.gz CWEHPRNFHQEAPH-NEPJUHHUSA-N 1 0 249.314 0.719 10 0 BCAERO Cc1nnc(N2C[C@@H](C)[NH2+]C[C@@H]2C)nc1C ZINC000158947180 345391249 /nfs/dbraw/zinc/39/12/49/345391249.db2.gz OQZOPDQCPPJSLQ-SFYZADRCSA-N 1 0 221.308 0.675 10 0 BCAERO CN(C)Cc1cc(S(N)(=O)=O)ccc1F ZINC000133938678 345391848 /nfs/dbraw/zinc/39/18/48/345391848.db2.gz OLLFVXOFIZDSRC-UHFFFAOYSA-N 1 0 232.280 0.535 10 0 BCAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2cn[nH]n2)C1 ZINC000158983343 345396689 /nfs/dbraw/zinc/39/66/89/345396689.db2.gz WAPIRKKNRWSRPL-SCZZXKLOSA-N 1 0 237.307 0.263 10 0 BCAERO C[C@]1(c2cccnc2)C[NH2+]C[C@H]1C(N)=O ZINC000229226516 345462173 /nfs/dbraw/zinc/46/21/73/345462173.db2.gz SMSXUAFHCRZVFQ-GXSJLCMTSA-N 1 0 205.261 0.044 10 0 BCAERO COC(=O)[C@@H]1CCCCN1C(=O)CCCC[NH3+] ZINC000070202457 345479886 /nfs/dbraw/zinc/47/98/86/345479886.db2.gz LSVSKVWEWZKSLJ-JTQLQIEISA-N 1 0 242.319 0.670 10 0 BCAERO C[C@H]1CN(C(=O)[C@@H]([NH3+])CC(F)F)CCS1 ZINC000335776962 345520410 /nfs/dbraw/zinc/52/04/10/345520410.db2.gz SPMYCHMEPNNGOB-BQBZGAKWSA-N 1 0 238.303 0.933 10 0 BCAERO COC[C@@H]([NH3+])C(=O)NCc1ccc(F)c(F)c1 ZINC000159856245 345570717 /nfs/dbraw/zinc/57/07/17/345570717.db2.gz JUKAZGDXFLLTST-SNVBAGLBSA-N 1 0 244.241 0.555 10 0 BCAERO C[NH+](C)C[C@H]1CN(CC[C@@H]2CCCO2)CCO1 ZINC000189222445 259383928 /nfs/dbraw/zinc/38/39/28/259383928.db2.gz KFJWRHKJZFMKSM-STQMWFEESA-N 1 0 242.363 0.818 10 0 BCAERO CNC(=O)[C@]1(C)CC[N@@H+]([C@@H](C)C(C)=O)C1 ZINC000230908901 349936806 /nfs/dbraw/zinc/93/68/06/349936806.db2.gz WEVZURSWCQHZRE-GZMMTYOYSA-N 1 0 212.293 0.422 10 0 BCAERO COC[C@@H]([NH3+])C(=O)Nc1nc2ccccc2[nH]1 ZINC000159924556 345669316 /nfs/dbraw/zinc/66/93/16/345669316.db2.gz NHWDXYWRUMYBDE-SSDOTTSWSA-N 1 0 234.259 0.475 10 0 BCAERO CC1[C@H](C)N2O[C@](C)(O)C[C@@]2(C)[N+]1=O ZINC000253495511 345680554 /nfs/dbraw/zinc/68/05/54/345680554.db2.gz GYFXRRINFDTQRS-CIUDSAMLSA-N 1 0 200.238 0.422 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N1CCN(C)c2ccccc21 ZINC000159936529 345692940 /nfs/dbraw/zinc/69/29/40/345692940.db2.gz XGFHGNPPNZEGFD-SNVBAGLBSA-N 1 0 249.314 0.443 10 0 BCAERO CCOC(=O)[C@H](CC)N1CC[C@H]([NH+](C)C)C1 ZINC000082761110 345726595 /nfs/dbraw/zinc/72/65/95/345726595.db2.gz AMFMLZHGLBBNTJ-QWRGUYRKSA-N 1 0 228.336 0.964 10 0 BCAERO C[C@@H](C[NH3+])[C@@H](O)c1c(Br)cnn1C ZINC000306180149 537912102 /nfs/dbraw/zinc/91/21/02/537912102.db2.gz XRAHEXHOBXWZNR-YLWLKBPMSA-N 1 0 248.124 0.811 10 0 BCAERO CC1(N2CCC3(CC2)OCCO3)CC[NH2+]CC1 ZINC000140537169 345855999 /nfs/dbraw/zinc/85/59/99/345855999.db2.gz HQZLIFQOVGDWOX-UHFFFAOYSA-N 1 0 240.347 0.967 10 0 BCAERO CC(=O)c1cccc(N2CC(=O)[O+]=N2)c1 ZINC000034604538 345837245 /nfs/dbraw/zinc/83/72/45/345837245.db2.gz PAPLFKWOOXKKMN-UHFFFAOYSA-O 1 0 205.193 0.860 10 0 BCAERO C[N@@H+]1CC[C@@H](C(=O)NC[C@@H](O)C(C)(C)C)C1 ZINC000324628445 537918894 /nfs/dbraw/zinc/91/88/94/537918894.db2.gz SBEWLKDRXVXACE-NXEZZACHSA-N 1 0 228.336 0.461 10 0 BCAERO CC(C)(C)OC(=O)N(N)C(=O)[C@@H]1CCC[NH2+]1 ZINC000142435572 345870445 /nfs/dbraw/zinc/87/04/45/345870445.db2.gz DZBBETFUSYTYBU-ZETCQYMHSA-N 1 0 229.280 0.376 10 0 BCAERO CCNC(=S)N[C@H]1CCC[N@H+](CC)C1 ZINC000136152398 345935988 /nfs/dbraw/zinc/93/59/88/345935988.db2.gz KHYRUVPJGGIDPU-VIFPVBQESA-N 1 0 215.366 0.955 10 0 BCAERO COC(=O)[C@@](C)([NH3+])C[C@H](C)n1cccn1 ZINC000082800439 537924252 /nfs/dbraw/zinc/92/42/52/537924252.db2.gz PTDCXOXMHYZDIW-WPRPVWTQSA-N 1 0 211.265 0.725 10 0 BCAERO CCCCOC[C@H](O)C[NH2+][C@H](C)C[C@H](C)O ZINC000300228702 345994620 /nfs/dbraw/zinc/99/46/20/345994620.db2.gz AADGCJVFOKWRAN-GRYCIOLGSA-N 1 0 233.352 0.913 10 0 BCAERO CCCC(=O)N1CCN([C@H](C)C[NH3+])CC1 ZINC000070995070 168540322 /nfs/dbraw/zinc/54/03/22/168540322.db2.gz BGDCMUPFEVOGME-SNVBAGLBSA-N 1 0 213.325 0.278 10 0 BCAERO CC(C)(C)OC(=O)N1C[C@@H](O)[C@@]2(CC[NH2+]C2)C1 ZINC000096987300 187363192 /nfs/dbraw/zinc/36/31/92/187363192.db2.gz FTLIEQVUCQSYLH-BXKDBHETSA-N 1 0 242.319 0.578 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N(CC)CC(=O)NCC ZINC000037895311 346029405 /nfs/dbraw/zinc/02/94/05/346029405.db2.gz INYDKYQKNUUWGF-VIFPVBQESA-N 1 0 229.324 0.098 10 0 BCAERO CC(C)N(C)C(=O)C[N@H+](C)CCC(N)=S ZINC000019834966 187314300 /nfs/dbraw/zinc/31/43/00/187314300.db2.gz RRNYASOQTNHYOK-UHFFFAOYSA-N 1 0 231.365 0.461 10 0 BCAERO CC(C)(C)[C@H]([NH3+])CCN1CCS(=O)CC1 ZINC000054028685 187315009 /nfs/dbraw/zinc/31/50/09/187315009.db2.gz IUKKKTVQTYQDJW-SNVBAGLBSA-N 1 0 232.393 0.814 10 0 BCAERO CCCCOC[C@H](O)C[N@H+](C)CC[C@@H](C)O ZINC000193252282 187315218 /nfs/dbraw/zinc/31/52/18/187315218.db2.gz QLTDHQNORLEWIA-VXGBXAGGSA-N 1 0 233.352 0.867 10 0 BCAERO FC(F)c1cc(N2CC[NH2+]CC2)ncn1 ZINC000669368435 537947208 /nfs/dbraw/zinc/94/72/08/537947208.db2.gz MVRUMTPTBUPTEO-UHFFFAOYSA-N 1 0 214.219 0.824 10 0 BCAERO CC(C)=C[C@H]([NH3+])[C@@H]1CCS(=O)(=O)C1 ZINC000149992542 346165929 /nfs/dbraw/zinc/16/59/29/346165929.db2.gz WYLHTYWWFNFZTD-BDAKNGLRSA-N 1 0 203.307 0.715 10 0 BCAERO Cc1coc(S[C@H]2C[NH2+]C[C@@H]2O)n1 ZINC000235942520 346173412 /nfs/dbraw/zinc/17/34/12/346173412.db2.gz JQBAZTUQNFORQN-BQBZGAKWSA-N 1 0 200.263 0.408 10 0 BCAERO CC(C)c1nnc([C@@H]2C[C@@H](O)[C@@H](C[NH3+])C2)[nH]1 ZINC000669372769 537950459 /nfs/dbraw/zinc/95/04/59/537950459.db2.gz ZLXPFCBHIPLTHT-DJLDLDEBSA-N 1 0 224.308 0.741 10 0 BCAERO NC(=O)CNc1c(N)c[nH+]cc1Br ZINC000236192642 346206418 /nfs/dbraw/zinc/20/64/18/346206418.db2.gz NTEHKQSODKXTDJ-UHFFFAOYSA-N 1 0 245.080 0.324 10 0 BCAERO C[NH+](C)[C@H]1CCC[C@@H](S(N)(=O)=O)C1 ZINC000669375697 537956326 /nfs/dbraw/zinc/95/63/26/537956326.db2.gz RDZJZUSULODFDR-JGVFFNPUSA-N 1 0 206.311 0.148 10 0 BCAERO NC(=[NH2+])N1CCN(CC(F)(F)F)CC1 ZINC000061947794 346179499 /nfs/dbraw/zinc/17/94/99/346179499.db2.gz VTQGGQJSTTXTPE-UHFFFAOYSA-N 1 0 210.203 0.060 10 0 BCAERO Cn1nnc(Br)c1C1=CC[NH2+]C1 ZINC000236078803 346189249 /nfs/dbraw/zinc/18/92/49/346189249.db2.gz RRJDCMKFILLODQ-UHFFFAOYSA-N 1 0 229.081 0.564 10 0 BCAERO Cn1nnc(Br)c1[C@H](F)CC[NH3+] ZINC000236129042 346193980 /nfs/dbraw/zinc/19/39/80/346193980.db2.gz OPAPNAVKARXMQG-SCSAIBSYSA-N 1 0 237.076 0.937 10 0 BCAERO Cn1nnc(Br)c1[C@H]1CC[C@H]1[NH3+] ZINC000236143204 346197279 /nfs/dbraw/zinc/19/72/79/346197279.db2.gz ZAZFBFSWISIGKO-CRCLSJGQSA-N 1 0 231.097 0.782 10 0 BCAERO O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]12)C(F)F ZINC000236139972 346197320 /nfs/dbraw/zinc/19/73/20/346197320.db2.gz PFKDUTUHZWIVNR-BQBZGAKWSA-N 1 0 204.220 0.604 10 0 BCAERO C[C@@H](O)c1cncc(N2CC[NH2+]CC2)c1 ZINC000167333159 346235813 /nfs/dbraw/zinc/23/58/13/346235813.db2.gz CAUOJCDGZSTWOX-SECBINFHSA-N 1 0 207.277 0.545 10 0 BCAERO Nc1[nH+]ccn1C[C@@H]1C[C@H]2COC[C@@H]2O1 ZINC000724589158 537956682 /nfs/dbraw/zinc/95/66/82/537956682.db2.gz DLPHIRTVAKRDHC-CIUDSAMLSA-N 1 0 209.249 0.269 10 0 BCAERO [NH2+]=C([C@H]1CCS(=O)(=O)C1)N1CCCC1 ZINC000167414081 346246087 /nfs/dbraw/zinc/24/60/87/346246087.db2.gz VPWFOBUUDJDGRT-QMMMGPOBSA-N 1 0 216.306 0.494 10 0 BCAERO [NH3+][C@]1(Cc2ccco2)CCS(=O)(=O)C1 ZINC000167459317 346249924 /nfs/dbraw/zinc/24/99/24/346249924.db2.gz ZJAUSFJYORDYBB-VIFPVBQESA-N 1 0 215.274 0.338 10 0 BCAERO CC(=O)c1cccc(N2CC[NH2+]CC2)n1 ZINC000167466436 346251374 /nfs/dbraw/zinc/25/13/74/346251374.db2.gz WBRYDERXXRRZFT-UHFFFAOYSA-N 1 0 205.261 0.694 10 0 BCAERO COc1nscc1[C@H](O)[C@H](C)C[NH3+] ZINC000669377613 537965051 /nfs/dbraw/zinc/96/50/51/537965051.db2.gz UZYKVQRSQWJEFW-IYSWYEEDSA-N 1 0 202.279 0.780 10 0 BCAERO Cc1cccc(C)c1-n1nnnc1C[NH3+] ZINC000054744581 179028584 /nfs/dbraw/zinc/02/85/84/179028584.db2.gz RWZKXCYAZKVWAZ-UHFFFAOYSA-N 1 0 203.249 0.738 10 0 BCAERO Cc1cccc(C)c1N(CCO)C(=O)C[NH3+] ZINC000027656897 179039542 /nfs/dbraw/zinc/03/95/42/179039542.db2.gz OVHLIYKIJADIHH-UHFFFAOYSA-N 1 0 222.288 0.587 10 0 BCAERO CNC(=O)c1cn[nH]c1[C@@H]1CCCC[NH2+]1 ZINC000308772351 537967942 /nfs/dbraw/zinc/96/79/42/537967942.db2.gz KDXHYIWUXSGBTE-QMMMGPOBSA-N 1 0 208.265 0.584 10 0 BCAERO O=C([O-])[C@@H]1C[NH2+]C[C@@H](C[NH+]2CCCCC2)C1 ZINC000669378565 537968393 /nfs/dbraw/zinc/96/83/93/537968393.db2.gz HDLUARLHUXZPAM-QWRGUYRKSA-N 1 0 226.320 0.783 10 0 BCAERO CCOC(=O)CC[N@@H+]1CC[C@H](CCO)C1 ZINC000161626427 346345170 /nfs/dbraw/zinc/34/51/70/346345170.db2.gz JEFUNYFHJQXXHZ-SNVBAGLBSA-N 1 0 215.293 0.644 10 0 BCAERO CC(C)[N@H+](C)C[C@H]1C[NH2+]C[C@@H](C(=O)[O-])C1 ZINC000669378573 537969475 /nfs/dbraw/zinc/96/94/75/537969475.db2.gz HILGGEMEASCSDD-ZJUUUORDSA-N 1 0 214.309 0.637 10 0 BCAERO CCOC(=O)[C@H](C)[N@@H+]1CC[C@H](CCO)C1 ZINC000161590747 346339520 /nfs/dbraw/zinc/33/95/20/346339520.db2.gz XVDPOOVSPZZZRE-VHSXEESVSA-N 1 0 215.293 0.642 10 0 BCAERO Cc1noc(CN2CC[C@@H](CCO)C2)n1 ZINC000161617842 346342561 /nfs/dbraw/zinc/34/25/61/346342561.db2.gz YKTUVFSJJSLFMT-VIFPVBQESA-N 1 0 211.265 0.582 10 0 BCAERO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1[NH2+]CC1CC1 ZINC000381568823 346369269 /nfs/dbraw/zinc/36/92/69/346369269.db2.gz WCAQJNBNYWPPPZ-WDEREUQCSA-N 1 0 246.376 0.846 10 0 BCAERO CS(=O)(=O)N[C@H]1CCCC[C@H]1[NH2+]CC1CC1 ZINC000381568821 346369388 /nfs/dbraw/zinc/36/93/88/346369388.db2.gz WCAQJNBNYWPPPZ-MNOVXSKESA-N 1 0 246.376 0.846 10 0 BCAERO Cc1cccc(CN(C)S(=O)(=O)CC[NH3+])c1 ZINC000032100607 179069250 /nfs/dbraw/zinc/06/92/50/179069250.db2.gz WRTNKQUFSDQHDQ-UHFFFAOYSA-N 1 0 242.344 0.715 10 0 BCAERO C[C@@H]1CN(C(=O)[C@H]2CCOC2)C[C@H]1CC[NH3+] ZINC000669379151 537975408 /nfs/dbraw/zinc/97/54/08/537975408.db2.gz UUAXOMUAKSZKPP-MXWKQRLJSA-N 1 0 226.320 0.466 10 0 BCAERO Cc1cnc(N2C[C@H]3C[NH2+]C[C@H]3C2)nc1C ZINC000381592120 346396493 /nfs/dbraw/zinc/39/64/93/346396493.db2.gz HFEIVZOMJINBFT-PHIMTYICSA-N 1 0 218.304 0.749 10 0 BCAERO CC[N@@H+]1CCC[C@H]1CN(C)CC(=O)N(C)C ZINC000170779038 346446759 /nfs/dbraw/zinc/44/67/59/346446759.db2.gz ODMKAGKIMXQZQY-NSHDSACASA-N 1 0 227.352 0.491 10 0 BCAERO OCCCCCn1cc([C@@H]2CCC[NH2+]2)nn1 ZINC000725241413 537979633 /nfs/dbraw/zinc/97/96/33/537979633.db2.gz FFEDPFUZXSLXJT-JTQLQIEISA-N 1 0 224.308 0.865 10 0 BCAERO COC(=O)[C@H](C)N[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC000725241823 537980333 /nfs/dbraw/zinc/98/03/33/537980333.db2.gz RBBKAZZFIGUPSC-HBNTYKKESA-N 1 0 226.320 0.764 10 0 BCAERO COC(=O)CN[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC000725241371 537978850 /nfs/dbraw/zinc/97/88/50/537978850.db2.gz DXYMFEJVMMNNGD-NXEZZACHSA-N 1 0 212.293 0.376 10 0 BCAERO COc1cc(CN2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)on1 ZINC000641797555 362742718 /nfs/dbraw/zinc/74/27/18/362742718.db2.gz FJOWECFSLJWAHF-LSJOCFKGSA-N 1 0 237.303 0.852 10 0 BCAERO CC(=O)c1c[nH]c(C(=O)N2CC[C@H]([NH+](C)C)C2)c1 ZINC000170858522 346463068 /nfs/dbraw/zinc/46/30/68/346463068.db2.gz WCQSGQBAZUZKPQ-NSHDSACASA-N 1 0 249.314 0.993 10 0 BCAERO CCOCCCNC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170861973 346464211 /nfs/dbraw/zinc/46/42/11/346464211.db2.gz XNRWHNYYRYUMOC-LLVKDONJSA-N 1 0 243.351 0.759 10 0 BCAERO C[C@@H]1CSC(NN2CCN(C)CC2)=[NH+]1 ZINC000148834706 346464993 /nfs/dbraw/zinc/46/49/93/346464993.db2.gz ZSIKZVHRJVFYRO-MRVPVSSYSA-N 1 0 214.338 0.230 10 0 BCAERO C[C@H]1CSC(NN2CCOCC2)=[NH+]1 ZINC000148842389 346465087 /nfs/dbraw/zinc/46/50/87/346465087.db2.gz CNKJTVXPDWJYDR-ZETCQYMHSA-N 1 0 201.295 0.315 10 0 BCAERO C[C@H](Cn1c(=O)cc(Cl)[nH]c1=O)[NH+](C)C ZINC000160840698 346467136 /nfs/dbraw/zinc/46/71/36/346467136.db2.gz KVJZDZIVGNXDOK-ZCFIWIBFSA-N 1 0 231.683 0.140 10 0 BCAERO CC(C)[C@@H](C[NH3+])n1cc(S(C)(=O)=O)cn1 ZINC000725242174 537981356 /nfs/dbraw/zinc/98/13/56/537981356.db2.gz KNJNMOFENXWJMY-SECBINFHSA-N 1 0 231.321 0.442 10 0 BCAERO Cc1cccc(C[NH2+][C@@H]2COC[C@H]2O)n1 ZINC000051575946 179099160 /nfs/dbraw/zinc/09/91/60/179099160.db2.gz ROLVYMZBMJHMAS-GHMZBOCLSA-N 1 0 208.261 0.239 10 0 BCAERO CC(=O)N1C[C@]2(C[C@@H]([NH3+])[C@H](O)C2)[C@@H]1C(C)C ZINC000669379769 537981669 /nfs/dbraw/zinc/98/16/69/537981669.db2.gz CJOSPIHJELVSRG-WISYIIOYSA-N 1 0 226.320 0.342 10 0 BCAERO CCOC(=O)[C@H]1CCn2c(N)c[nH+]c2C1 ZINC000725241602 537981693 /nfs/dbraw/zinc/98/16/93/537981693.db2.gz JCXGOAFCEMXIGZ-ZETCQYMHSA-N 1 0 209.249 0.591 10 0 BCAERO CC(C)(C[NH3+])Cn1cc(S(C)(=O)=O)cn1 ZINC000725242328 537983240 /nfs/dbraw/zinc/98/32/40/537983240.db2.gz VANKSRGVRPXEML-UHFFFAOYSA-N 1 0 231.321 0.272 10 0 BCAERO COC[C@H](C)C[N@@H+]1CCN(C[C@@H](C)O)[C@H](C)C1 ZINC000187209245 346559952 /nfs/dbraw/zinc/55/99/52/346559952.db2.gz YKPLSQDLZPNVMC-JHJVBQTASA-N 1 0 244.379 0.656 10 0 BCAERO COCCN1CC[N@H+](C[C@@H](C)COC)C[C@@H]1C ZINC000187210842 346561044 /nfs/dbraw/zinc/56/10/44/346561044.db2.gz JLJLQGBEALWCQN-OLZOCXBDSA-N 1 0 244.379 0.921 10 0 BCAERO CC[C@H]([C@@H](C)[NH3+])n1cc(S(C)(=O)=O)cn1 ZINC000725242305 537983687 /nfs/dbraw/zinc/98/36/87/537983687.db2.gz SOVGKPFGBSISIU-VXNVDRBHSA-N 1 0 231.321 0.585 10 0 BCAERO C[C@@H]1C[C@H](NC(=O)[C@H]2CC[C@@H]([NH3+])C2)CCO1 ZINC000300378701 346531175 /nfs/dbraw/zinc/53/11/75/346531175.db2.gz GWKXQLGPUUMGCZ-LMLFDSFASA-N 1 0 226.320 0.798 10 0 BCAERO CC(C)[C@H](C[NH3+])n1cc(S(C)(=O)=O)cn1 ZINC000725242175 537984321 /nfs/dbraw/zinc/98/43/21/537984321.db2.gz KNJNMOFENXWJMY-VIFPVBQESA-N 1 0 231.321 0.442 10 0 BCAERO CCC[C@@H]1C[C@H]1[NH2+]C[C@H](O)COCCOC ZINC000300380241 346574711 /nfs/dbraw/zinc/57/47/11/346574711.db2.gz IBSFRQBDMKHTIS-GRYCIOLGSA-N 1 0 231.336 0.789 10 0 BCAERO CCC[C@@H]1C[C@@H]1[NH2+]C[C@@H](O)COCCOC ZINC000300380242 346575318 /nfs/dbraw/zinc/57/53/18/346575318.db2.gz IBSFRQBDMKHTIS-UTUOFQBUSA-N 1 0 231.336 0.789 10 0 BCAERO CO[C@H](C)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000163883194 346580517 /nfs/dbraw/zinc/58/05/17/346580517.db2.gz OIJYILMQJCFNPN-BDAKNGLRSA-N 1 0 200.282 0.280 10 0 BCAERO CC1CC([NH2+][C@@H]2CCS(=O)(=O)C2)C1 ZINC000163878552 346580915 /nfs/dbraw/zinc/58/09/15/346580915.db2.gz FABRKGAXVLUUCL-QJAFJHJLSA-N 1 0 203.307 0.562 10 0 BCAERO CO[C@H](C)C(=O)N1C[C@H](C)C[C@H]([NH3+])C1 ZINC000163897436 346581635 /nfs/dbraw/zinc/58/16/35/346581635.db2.gz JOKQJALTZZOBKU-HLTSFMKQSA-N 1 0 200.282 0.217 10 0 BCAERO c1cn(CCNC2=[NH+]CCCS2)nn1 ZINC000163914451 346582906 /nfs/dbraw/zinc/58/29/06/346582906.db2.gz SXRLRTPFLUHDHC-UHFFFAOYSA-N 1 0 211.294 0.361 10 0 BCAERO CC(C)([NH3+])C(C)(C)C(=O)N1CCCO1 ZINC000164280260 346598093 /nfs/dbraw/zinc/59/80/93/346598093.db2.gz CQISYHQFZGLCLT-UHFFFAOYSA-N 1 0 200.282 0.914 10 0 BCAERO CCNC(=S)N(C)[C@H]1CCC[N@H+](C)C1 ZINC000164305259 346599756 /nfs/dbraw/zinc/59/97/56/346599756.db2.gz VTMRUGMUOVRBOD-VIFPVBQESA-N 1 0 215.366 0.907 10 0 BCAERO CNC(=S)N(C)[C@H]1CCC[N@H+](C)C1 ZINC000164303649 346599809 /nfs/dbraw/zinc/59/98/09/346599809.db2.gz PXAURYWJFZPNRJ-QMMMGPOBSA-N 1 0 201.339 0.517 10 0 BCAERO CCNC(=S)N1CC[N@H+](C)[C@@H](CC)C1 ZINC000164341702 346601410 /nfs/dbraw/zinc/60/14/10/346601410.db2.gz GQACVZQJRLXTQG-VIFPVBQESA-N 1 0 215.366 0.907 10 0 BCAERO CC(C)S(=O)(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000164750201 346622732 /nfs/dbraw/zinc/62/27/32/346622732.db2.gz OCZPCINKRSNGIH-RKDXNWHRSA-N 1 0 220.338 0.455 10 0 BCAERO CC(C)C(=O)N1CCC(OC2C[NH2+]C2)CC1 ZINC000675055110 537984796 /nfs/dbraw/zinc/98/47/96/537984796.db2.gz NFFSDQLOEKWMQE-UHFFFAOYSA-N 1 0 226.320 0.622 10 0 BCAERO C[C@@H]1CC[C@H](NS(=O)(=O)C(F)F)C[NH2+]1 ZINC000164763958 346624064 /nfs/dbraw/zinc/62/40/64/346624064.db2.gz ZHVXULRVEDEXCJ-RITPCOANSA-N 1 0 228.264 0.269 10 0 BCAERO CCNC(=O)C[C@@H]1[NH2+]CCc2ncn(C)c21 ZINC000725242588 537985051 /nfs/dbraw/zinc/98/50/51/537985051.db2.gz JHNIPUOALNBSFS-VIFPVBQESA-N 1 0 222.292 0.133 10 0 BCAERO COc1cc([C@@H]2CC[NH2+]C[C@@H]2N)ccn1 ZINC000725242462 537985420 /nfs/dbraw/zinc/98/54/20/537985420.db2.gz HUCJNUDMIUAUFR-UWVGGRQHSA-N 1 0 207.277 0.494 10 0 BCAERO COc1ccc([C@H]2CC[NH2+]C[C@@H]2N)cc1C=O ZINC000725242607 537986164 /nfs/dbraw/zinc/98/61/64/537986164.db2.gz LSAIBEBSKZXXGH-NEPJUHHUSA-N 1 0 234.299 0.912 10 0 BCAERO C[C@@H]1OCC[C@@H]1C(=O)NCC(C)(C)[NH3+] ZINC000168379856 346735518 /nfs/dbraw/zinc/73/55/18/346735518.db2.gz YOOVVVSPWXUJIY-YUMQZZPRSA-N 1 0 200.282 0.265 10 0 BCAERO Cc1cccc(NS(=O)(=O)CC[NH3+])c1 ZINC000011570247 179151081 /nfs/dbraw/zinc/15/10/81/179151081.db2.gz ROOMNXRNKJBSIZ-UHFFFAOYSA-N 1 0 214.290 0.695 10 0 BCAERO COC(=O)c1ccc(C[NH2+][C@@H]2C[C@H]2CO)o1 ZINC000381717078 346741705 /nfs/dbraw/zinc/74/17/05/346741705.db2.gz LHYYJKCBBAOBSA-IONNQARKSA-N 1 0 225.244 0.537 10 0 BCAERO CS(=O)(=O)N1CCCC[C@H]2C[NH2+]CC[C@H]21 ZINC000616417624 347117152 /nfs/dbraw/zinc/11/71/52/347117152.db2.gz KFLSFWQPTTZUKH-VHSXEESVSA-N 1 0 232.349 0.410 10 0 BCAERO C[C@H]1CCCN(C(=O)CN2CCC[C@H]2C[NH3+])C1 ZINC000252688161 133650702 /nfs/dbraw/zinc/65/07/02/133650702.db2.gz NJFVBPUVRQLPLP-RYUDHWBXSA-N 1 0 239.363 0.668 10 0 BCAERO Cc1cccc([C@@H](O)CNC(=O)[C@H]2CCC[NH2+]2)c1 ZINC000262104102 179187837 /nfs/dbraw/zinc/18/78/37/179187837.db2.gz FAHSGCNEAVXEIA-OLZOCXBDSA-N 1 0 248.326 0.897 10 0 BCAERO CCS(=O)(=O)[C@@H]1C[C@H](C)CC[C@H]1[NH3+] ZINC000250245543 362797298 /nfs/dbraw/zinc/79/72/98/362797298.db2.gz OUVHSJINOJKYLU-IWSPIJDZSA-N 1 0 205.323 0.937 10 0 BCAERO CCCCOC[C@H](O)C[N@@H+]1C[C@@H](C)[C@@H](O)C1 ZINC000388220321 347248660 /nfs/dbraw/zinc/24/86/60/347248660.db2.gz WURUJCDKPWSMMD-UTUOFQBUSA-N 1 0 231.336 0.477 10 0 BCAERO c1nc2c([nH]1)[C@@]1(C[C@@H]3COC[C@@H]31)[NH2+]CC2 ZINC000725242859 537988510 /nfs/dbraw/zinc/98/85/10/537988510.db2.gz FECTWSKHNXRNPP-FYBVGQRMSA-N 1 0 205.261 0.417 10 0 BCAERO CC[NH2+][C@@]1(C(=O)[O-])CC[N@@H+]2CCC[C@H]2C1 ZINC000250763330 362819426 /nfs/dbraw/zinc/81/94/26/362819426.db2.gz YGGONDVGGZWENH-ONGXEEELSA-N 1 0 212.293 0.678 10 0 BCAERO CCN[C@]1(C(N)=O)CC[N@@H+]2CCC[C@H]2C1 ZINC000250639322 362814572 /nfs/dbraw/zinc/81/45/72/362814572.db2.gz MSDRSACYXBPLIX-GXSJLCMTSA-N 1 0 211.309 0.078 10 0 BCAERO CCc1nc2n(n1)C[C@H]([NH2+]C[C@H](C)O)CC2 ZINC000390652202 347416221 /nfs/dbraw/zinc/41/62/21/347416221.db2.gz PPVFCIZSONUCHO-DTWKUNHWSA-N 1 0 224.308 0.126 10 0 BCAERO CCCCOC[C@@H](O)C[N@@H+]1CCC[C@@H]1CO ZINC000193247957 347394063 /nfs/dbraw/zinc/39/40/63/347394063.db2.gz ARUQGUVDWQGXSJ-NEPJUHHUSA-N 1 0 231.336 0.621 10 0 BCAERO O[C@@H]1CCC2(C[C@@H]1[C@H]1CCC[NH2+]1)OCCO2 ZINC000251154011 362841019 /nfs/dbraw/zinc/84/10/19/362841019.db2.gz KNZCSKGZOPLKRO-GMTAPVOTSA-N 1 0 227.304 0.643 10 0 BCAERO CC(C)(C)[C@H](O)C[NH2+][C@H]1CCNC(=O)CC1 ZINC000396669137 362827899 /nfs/dbraw/zinc/82/78/99/362827899.db2.gz QRUSNMKIYDERMD-NXEZZACHSA-N 1 0 228.336 0.652 10 0 BCAERO CS(=O)(=O)N1CC[C@@H]2CCCC[C@H]2[C@@H]1C[NH3+] ZINC000669380445 537989917 /nfs/dbraw/zinc/98/99/17/537989917.db2.gz NNKDMFZUPAQEMR-AXFHLTTASA-N 1 0 246.376 0.785 10 0 BCAERO C[NH2+][C@H](C)C(=O)NCCc1cccnc1 ZINC000054074479 347431932 /nfs/dbraw/zinc/43/19/32/347431932.db2.gz BYONAMQYZLPXCO-SECBINFHSA-N 1 0 207.277 0.348 10 0 BCAERO CC[N@H+](C)C[C@H](O)CCC1(O)CCC1 ZINC000669380422 537989978 /nfs/dbraw/zinc/98/99/78/537989978.db2.gz YSVJMYGWUZWTOO-SNVBAGLBSA-N 1 0 201.310 0.994 10 0 BCAERO CO[C@@H]1C[C@@H](CO)[N@H+](CCC2CCOCC2)C1 ZINC000393828723 259395650 /nfs/dbraw/zinc/39/56/50/259395650.db2.gz JHXNEOGPJXDCIK-QWHCGFSZSA-N 1 0 243.347 0.885 10 0 BCAERO [NH3+]C[C@H](n1cnnc1)C(F)(F)C(F)(F)F ZINC000616568529 347447905 /nfs/dbraw/zinc/44/79/05/347447905.db2.gz CBUBXKFXTIHQTC-BYPYZUCNSA-N 1 0 230.140 0.976 10 0 BCAERO COC(=O)[C@@H](N)C[NH2+]Cc1ccccc1 ZINC000149929067 347570524 /nfs/dbraw/zinc/57/05/24/347570524.db2.gz QJGXGDPESFRITP-JTQLQIEISA-N 1 0 208.261 0.277 10 0 BCAERO C[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C[C@H]1[NH3+] ZINC000616569114 347575626 /nfs/dbraw/zinc/57/56/26/347575626.db2.gz HXWMNRMOKLVQMG-ZYHUDNBSSA-N 1 0 239.363 0.524 10 0 BCAERO C[NH2+][C@H](C=C(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000150048032 347592181 /nfs/dbraw/zinc/59/21/81/347592181.db2.gz GTTOVRSVOFCCCJ-VHSXEESVSA-N 1 0 217.334 0.975 10 0 BCAERO COC(=O)[C@H](C)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000082462946 347599490 /nfs/dbraw/zinc/59/94/90/347599490.db2.gz VDCODFGPYJOWFI-VHSXEESVSA-N 1 0 212.293 0.328 10 0 BCAERO CC(C)S(=O)(=O)NCC[C@@](C)([NH3+])C(F)F ZINC000669380965 537991579 /nfs/dbraw/zinc/99/15/79/537991579.db2.gz UNTWFLMIAQDUFZ-MRVPVSSYSA-N 1 0 244.307 0.687 10 0 BCAERO COC[C@]1(C(=O)N[C@@H](C)CSC)CCC[NH2+]1 ZINC000591614942 347678391 /nfs/dbraw/zinc/67/83/91/347678391.db2.gz BVBCNXIBFNRQIF-ONGXEEELSA-N 1 0 246.376 0.623 10 0 BCAERO CSC[C@@H](C)NC(=O)[C@H]1C[NH2+]CCOC1 ZINC000591615034 347678431 /nfs/dbraw/zinc/67/84/31/347678431.db2.gz DAWHTEFUKZHGTE-BDAKNGLRSA-N 1 0 232.349 0.090 10 0 BCAERO COC[C@@]1(C(=O)N[C@H](C)CSC)CCC[NH2+]1 ZINC000591614940 347678516 /nfs/dbraw/zinc/67/85/16/347678516.db2.gz BVBCNXIBFNRQIF-MWLCHTKSSA-N 1 0 246.376 0.623 10 0 BCAERO Cc1ccccc1C[NH2+][C@@H]1CC(=O)N(C)C1=O ZINC000103311746 179281901 /nfs/dbraw/zinc/28/19/01/179281901.db2.gz QDCPKUUQTYKQAY-LLVKDONJSA-N 1 0 232.283 0.842 10 0 BCAERO CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000592182760 347760348 /nfs/dbraw/zinc/76/03/48/347760348.db2.gz UNTRYLAQZJOMMZ-AXTSPUMRSA-N 1 0 239.319 0.609 10 0 BCAERO CC(C)OCCCNC(=O)[C@H]1C[NH2+]C[C@@H]1C ZINC000082559741 347829281 /nfs/dbraw/zinc/82/92/81/347829281.db2.gz WINWJMNFOJLAFB-QWRGUYRKSA-N 1 0 228.336 0.773 10 0 BCAERO COCCC(=O)N[C@](C)(CC[NH3+])C(F)F ZINC000669380909 537993036 /nfs/dbraw/zinc/99/30/36/537993036.db2.gz RVXITNMLOUKRRV-SECBINFHSA-N 1 0 224.251 0.512 10 0 BCAERO Cc1ncc(CNC(=O)[C@@H]2C[NH2+]C[C@H]2C)s1 ZINC000082559790 347829579 /nfs/dbraw/zinc/82/95/79/347829579.db2.gz NOWBDPMTHHUWFG-GMSGAONNSA-N 1 0 239.344 0.923 10 0 BCAERO CCOC(=O)CC(=O)N1CC2(C1)CC[NH2+]CC2 ZINC000616570029 347883657 /nfs/dbraw/zinc/88/36/57/347883657.db2.gz DYJRWXVQEFVCOF-UHFFFAOYSA-N 1 0 240.303 0.152 10 0 BCAERO C[NH2+]C1(CNC(=O)CC2CC2)CCOCC1 ZINC000669381692 537994650 /nfs/dbraw/zinc/99/46/50/537994650.db2.gz RQIHMZIZBWNITJ-UHFFFAOYSA-N 1 0 226.320 0.671 10 0 BCAERO [NH3+]C1CCC2(CC1)CN(C(=O)C1CC1)CCO2 ZINC000725244103 537995168 /nfs/dbraw/zinc/99/51/68/537995168.db2.gz NTMLLMWBMORJBV-UHFFFAOYSA-N 1 0 238.331 0.895 10 0 BCAERO COC(=O)[C@@H]1CCCN(C(=O)C[C@@H](C)[NH3+])C1 ZINC000593911711 347969926 /nfs/dbraw/zinc/96/99/26/347969926.db2.gz IGWOKKYRJXCDSI-RKDXNWHRSA-N 1 0 228.292 0.135 10 0 BCAERO COC(=O)[C@@H]1CCCN(C(=O)CC[C@H](C)[NH3+])C1 ZINC000593912090 347970180 /nfs/dbraw/zinc/97/01/80/347970180.db2.gz XBIOFFDTYVEIRR-VHSXEESVSA-N 1 0 242.319 0.525 10 0 BCAERO NC(=O)c1cccc([C@H]2CC[N@H+](CCO)C2)c1 ZINC000616613622 349977881 /nfs/dbraw/zinc/97/78/81/349977881.db2.gz NOEZNYMQJBFENE-LBPRGKRZSA-N 1 0 234.299 0.567 10 0 BCAERO C[N@H+](C[C@H](O)COC(C)(C)C)CC(C)(C)O ZINC000075746111 323170993 /nfs/dbraw/zinc/17/09/93/323170993.db2.gz ZLAVMBDRUHINGY-JTQLQIEISA-N 1 0 233.352 0.865 10 0 BCAERO CC[C@@H]([NH3+])C(=O)N[C@@H]1CCC[C@H](O)C1 ZINC000037001110 348000968 /nfs/dbraw/zinc/00/09/68/348000968.db2.gz YLQSBHPAQJCUNK-HRDYMLBCSA-N 1 0 200.282 0.143 10 0 BCAERO COCC(=O)NC1CCC2(CC1)C[NH2+]CCO2 ZINC000725243989 537995910 /nfs/dbraw/zinc/99/59/10/537995910.db2.gz MOXSZZAIQUYHSH-UHFFFAOYSA-N 1 0 242.319 0.050 10 0 BCAERO C[NH2+]C1(CNC(=O)CC(C)C)CCOCC1 ZINC000669381770 537996127 /nfs/dbraw/zinc/99/61/27/537996127.db2.gz URNHBTHSLXZPTJ-UHFFFAOYSA-N 1 0 228.336 0.917 10 0 BCAERO C[NH2+]C1(CNC(=O)C(C)C)CCOCC1 ZINC000669381668 537996212 /nfs/dbraw/zinc/99/62/12/537996212.db2.gz QWSKZFGLRZCDJS-UHFFFAOYSA-N 1 0 214.309 0.527 10 0 BCAERO [NH3+]C[C@H](n1cccnc1=O)C(F)(F)F ZINC000037169746 348024673 /nfs/dbraw/zinc/02/46/73/348024673.db2.gz VEPCXOCTRVLELX-YFKPBYRVSA-N 1 0 207.155 0.305 10 0 BCAERO C[C@H]1CN([C@@H](C[NH3+])C(F)(F)F)CCO1 ZINC000037169449 348024913 /nfs/dbraw/zinc/02/49/13/348024913.db2.gz VZYJUQVOBBDRLK-BQBZGAKWSA-N 1 0 212.215 0.597 10 0 BCAERO Cc1ccccc1[C@H]([C@H](C)[NH3+])N1CCNC(=O)C1 ZINC000043033585 179347790 /nfs/dbraw/zinc/34/77/90/179347790.db2.gz VNQBTFUGSMTGDA-FZMZJTMJSA-N 1 0 247.342 0.815 10 0 BCAERO CC(C)(C)OC[C@@H](O)C[NH+]1CCC(O)CC1 ZINC000046343246 348065563 /nfs/dbraw/zinc/06/55/63/348065563.db2.gz IERVVJDNMMOFKL-NSHDSACASA-N 1 0 231.336 0.619 10 0 BCAERO O=C([C@@H]1CCOC1)N1CC[C@@H]2[NH2+]CCC[C@@H]21 ZINC000616570655 348079934 /nfs/dbraw/zinc/07/99/34/348079934.db2.gz HCTRJCIPLBIZRR-VWYCJHECSA-N 1 0 224.304 0.376 10 0 BCAERO CCCC[NH2+]C[C@@H](O)C[C@]1(O)CCOC1 ZINC000669381740 537997253 /nfs/dbraw/zinc/99/72/53/537997253.db2.gz UDRPQPFNUXUORP-WDEREUQCSA-N 1 0 217.309 0.279 10 0 BCAERO Cc1ccccc1[C@](C)(NCC[NH+](C)C)C(N)=O ZINC000037951763 179350886 /nfs/dbraw/zinc/35/08/86/179350886.db2.gz IYIBWWVRBAWCGB-AWEZNQCLSA-N 1 0 249.358 0.847 10 0 BCAERO Cc1cccnc1C(=O)NC1CC([NH3+])C1 ZINC000051813508 179362908 /nfs/dbraw/zinc/36/29/08/179362908.db2.gz OGBAJYQTZNHDQR-UHFFFAOYSA-N 1 0 205.261 0.610 10 0 BCAERO CC(C)NC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000382186990 490137368 /nfs/dbraw/zinc/13/73/68/490137368.db2.gz BVFGTGJSMUKNKB-RNFRBKRXSA-N 1 0 224.226 0.909 10 0 BCAERO COC1(CC(=O)NC[C@@H]2CC[NH2+]C2)CCC1 ZINC000234599723 490139879 /nfs/dbraw/zinc/13/98/79/490139879.db2.gz ZRIDXFRIMVTZQB-SNVBAGLBSA-N 1 0 226.320 0.671 10 0 BCAERO CN(C)c1nc([C@H]2CC[N@H+](C)C2)cc(=O)[nH]1 ZINC000669381959 538000209 /nfs/dbraw/zinc/00/02/09/538000209.db2.gz BRAGUMVFDGDUBK-QMMMGPOBSA-N 1 0 222.292 0.667 10 0 BCAERO Cc1cccnc1CNC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000104208020 179380861 /nfs/dbraw/zinc/38/08/61/179380861.db2.gz PBUPAHASPJWQEG-GHMZBOCLSA-N 1 0 233.315 0.862 10 0 BCAERO COc1ccnc(N2CC[C@H](C)[C@H](C[NH3+])C2)n1 ZINC000253178578 348230523 /nfs/dbraw/zinc/23/05/23/348230523.db2.gz BXOMKVVUFHHWSI-VHSXEESVSA-N 1 0 236.319 0.906 10 0 BCAERO CC(C)[C@H](C)NC(=O)[C@H]1COC[C@H]1[NH3+] ZINC000251301628 362860675 /nfs/dbraw/zinc/86/06/75/362860675.db2.gz IEZWCSUBNJJWCH-XHNCKOQMSA-N 1 0 200.282 0.121 10 0 BCAERO CCOC[C@H](C[NH3+])Oc1ccc(F)cn1 ZINC000225247681 348270922 /nfs/dbraw/zinc/27/09/22/348270922.db2.gz KPUMCTWECQORQQ-VIFPVBQESA-N 1 0 214.240 0.963 10 0 BCAERO Cc1cccnc1Nc1nc[nH+]c(NN)c1N ZINC000040758072 179395847 /nfs/dbraw/zinc/39/58/47/179395847.db2.gz CZFBNYHAWMSDSR-UHFFFAOYSA-N 1 0 231.263 0.791 10 0 BCAERO CN(C[C@H](O)C(F)(F)F)C[C@@H]1CC[N@H+](C)C1 ZINC000082680336 348317319 /nfs/dbraw/zinc/31/73/19/348317319.db2.gz LEQGRHSZRUNCSQ-BDAKNGLRSA-N 1 0 240.269 0.793 10 0 BCAERO C[C@@H]1C[C@@H]2[NH2+]C[C@H](C)[S@@](=O)[C@H]2[C@@H](C)O1 ZINC000251675251 362897018 /nfs/dbraw/zinc/89/70/18/362897018.db2.gz AGLIDIRLILXKKC-BEOXXGLTSA-N 1 0 217.334 0.661 10 0 BCAERO C[C@H](C(N)=S)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000251607932 362889195 /nfs/dbraw/zinc/88/91/95/362889195.db2.gz GRMRNLXBBVNVCW-BWZBUEFSSA-N 1 0 202.323 0.770 10 0 BCAERO C[C@@H]1CN(C[C@H]2CCC[NH2+]2)S(=O)(=O)C1 ZINC000251618202 362892269 /nfs/dbraw/zinc/89/22/69/362892269.db2.gz DULLKNLVYWAIIS-RKDXNWHRSA-N 1 0 218.322 0.020 10 0 BCAERO C[C@H](C[N@@H+]1CC[C@@H](C)[C@H]([NH3+])C1)C(=O)[O-] ZINC000251747692 362905090 /nfs/dbraw/zinc/90/50/90/362905090.db2.gz SAOCHVOZBHFVPH-IWSPIJDZSA-N 1 0 200.282 0.376 10 0 BCAERO C[C@@H]1CCN(S(=O)(=O)C2CC2)C[C@H]1[NH3+] ZINC000251750803 362906197 /nfs/dbraw/zinc/90/61/97/362906197.db2.gz SGLWGVHXUIMAAW-VXNVDRBHSA-N 1 0 218.322 0.148 10 0 BCAERO C[NH2+]C[C@H](C)Nc1cncc(C(=O)OC)n1 ZINC000596032211 348427391 /nfs/dbraw/zinc/42/73/91/348427391.db2.gz JJTMWZCUYCIFEO-ZETCQYMHSA-N 1 0 224.264 0.283 10 0 BCAERO Cc1ccnc([S@](=O)CC2CC[NH2+]CC2)n1 ZINC000095069297 179469475 /nfs/dbraw/zinc/46/94/75/179469475.db2.gz NCGMXOCGVJEXLX-INIZCTEOSA-N 1 0 239.344 0.892 10 0 BCAERO COCC[C@@H](CO)[NH2+]C[C@@H](O)C(C)(C)C ZINC000308776005 348543448 /nfs/dbraw/zinc/54/34/48/348543448.db2.gz AEXMHZNORFMSJB-VHSXEESVSA-N 1 0 219.325 0.380 10 0 BCAERO Cc1cnc(CN2CC[NH2+]C[C@@H](C)C2)cn1 ZINC000061322553 179594658 /nfs/dbraw/zinc/59/46/58/179594658.db2.gz JAFVSOYHRACQNY-SNVBAGLBSA-N 1 0 220.320 0.826 10 0 BCAERO Cc1cnc(CNC(=O)C[C@@H](C)[NH3+])cn1 ZINC000061322490 179601247 /nfs/dbraw/zinc/60/12/47/179601247.db2.gz QZOCAFNNPWMGRX-SSDOTTSWSA-N 1 0 208.265 0.139 10 0 BCAERO COC(=O)/C=C/C[C@@H](C)[NH+]1CCOCC1 ZINC000198407381 348721971 /nfs/dbraw/zinc/72/19/71/348721971.db2.gz SYLUONVYRMXKOT-RXNUUUNCSA-N 1 0 213.277 0.826 10 0 BCAERO CSC1(C[NH2+]C[C@H]2CC(=O)N(C)C2)CC1 ZINC000597213178 348680474 /nfs/dbraw/zinc/68/04/74/348680474.db2.gz HDNCSDPHZVTMTF-SECBINFHSA-N 1 0 228.361 0.950 10 0 BCAERO COC(=O)c1coc(C[NH2+]C2CC(CO)C2)c1 ZINC000597245631 348689114 /nfs/dbraw/zinc/68/91/14/348689114.db2.gz KXOIXKSTARVWKD-UHFFFAOYSA-N 1 0 239.271 0.927 10 0 BCAERO O=C(N[C@H]1CCCOCC1)[C@@H]1CC[NH2+]C1 ZINC000308831393 348760810 /nfs/dbraw/zinc/76/08/10/348760810.db2.gz JOVBJNUDXXTEOT-ZJUUUORDSA-N 1 0 212.293 0.281 10 0 BCAERO O[C@@]1(C[NH2+]C2CCC2)CCNCC1(F)F ZINC000669383672 538010985 /nfs/dbraw/zinc/01/09/85/538010985.db2.gz WYJPCBSNHCTTPT-SECBINFHSA-N 1 0 220.263 0.488 10 0 BCAERO [NH3+][C@@H]1C[C@]12CNc1cc(N3CCOCC3)ccc12 ZINC000725247626 538012976 /nfs/dbraw/zinc/01/29/76/538012976.db2.gz SLVATJVQRSSGNK-ZIAGYGMSSA-N 1 0 245.326 0.918 10 0 BCAERO CC(C)[NH2+]C[C@]1(O)CCNCC1(F)F ZINC000669383614 538012360 /nfs/dbraw/zinc/01/23/60/538012360.db2.gz VWOWHJDWVIZOCW-MRVPVSSYSA-N 1 0 208.252 0.344 10 0 BCAERO C[NH2+][C@H](C)C(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000054071599 348874028 /nfs/dbraw/zinc/87/40/28/348874028.db2.gz ZMOCDAXUAVMZRA-NWDGAFQWSA-N 1 0 241.379 0.975 10 0 BCAERO C[NH2+][C@H](C)C(=O)N1CCc2ccc(O)cc2C1 ZINC000054075476 348878029 /nfs/dbraw/zinc/87/80/29/348878029.db2.gz AKCJXFUYFOFBQE-SECBINFHSA-N 1 0 234.299 0.885 10 0 BCAERO CCOCCCNC(=O)C[C@H]1CCC[NH2+]C1 ZINC000054290179 348962335 /nfs/dbraw/zinc/96/23/35/348962335.db2.gz NVFGPDRCYSITQP-LLVKDONJSA-N 1 0 228.336 0.919 10 0 BCAERO CC(C)NC(=O)CNC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054290883 348962751 /nfs/dbraw/zinc/96/27/51/348962751.db2.gz DOQWQAAICCOZCI-JTQLQIEISA-N 1 0 241.335 0.017 10 0 BCAERO Cc1cnn([C@@H](c2cnn(C)c2)[C@@H](C)[NH3+])c1 ZINC000043232745 179745672 /nfs/dbraw/zinc/74/56/72/179745672.db2.gz SAOWLNMAXORZTG-MWLCHTKSSA-N 1 0 219.292 0.862 10 0 BCAERO COC(=O)/C=C/C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000616573359 349069430 /nfs/dbraw/zinc/06/94/30/349069430.db2.gz XUGVRYJRZHTFIM-OCIBVNFRSA-N 1 0 238.287 0.069 10 0 BCAERO Cn1ccn2c(nnc2[C@H]([NH3+])C(C)(C)C)c1=O ZINC000616574591 349080193 /nfs/dbraw/zinc/08/01/93/349080193.db2.gz TWECHXQJWLWRDX-ZETCQYMHSA-N 1 0 235.291 0.474 10 0 BCAERO CC(=O)N1CCC(Cc2cnc(C[NH3+])cn2)CC1 ZINC000616576522 349102240 /nfs/dbraw/zinc/10/22/40/349102240.db2.gz ACWPHMACJZLOPO-UHFFFAOYSA-N 1 0 248.330 0.736 10 0 BCAERO COCCC(=O)N1CC[C@@H]2[NH2+]CCC[C@H]21 ZINC000616573068 349064362 /nfs/dbraw/zinc/06/43/62/349064362.db2.gz WISOPJMGUNJZAV-VHSXEESVSA-N 1 0 212.293 0.376 10 0 BCAERO CCOC(=O)CC(=O)N(CC)[C@H]1CC[NH2+]C1 ZINC000616572417 349065814 /nfs/dbraw/zinc/06/58/14/349065814.db2.gz MFRMMFXPQBITJF-VIFPVBQESA-N 1 0 228.292 0.150 10 0 BCAERO C[C@H](CO)[NH2+][C@@H]1CCCN2CCSC[C@H]12 ZINC000616577206 349121026 /nfs/dbraw/zinc/12/10/26/349121026.db2.gz JHLJMKVGOOPLOC-GMTAPVOTSA-N 1 0 230.377 0.537 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)O1 ZINC000248652009 349144296 /nfs/dbraw/zinc/14/42/96/349144296.db2.gz VEBMLCWQXQXLJT-WTPMCQDGSA-N 1 0 238.331 0.750 10 0 BCAERO CC[C@H](C)[C@@H]([NH3+])[C@H]1CCS(=O)(=O)C1 ZINC000251849149 362941972 /nfs/dbraw/zinc/94/19/72/362941972.db2.gz MSLGFLPXOLIVBR-XHNCKOQMSA-N 1 0 205.323 0.795 10 0 BCAERO CC(C)(C)[NH2+]CCn1cc(S(C)(=O)=O)cn1 ZINC000725251975 538031999 /nfs/dbraw/zinc/03/19/99/538031999.db2.gz IWNQGXYPBMZUTR-UHFFFAOYSA-N 1 0 245.348 0.675 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)N[C@H]2C[NH2+]CC[C@H]2C)O1 ZINC000251661858 349189320 /nfs/dbraw/zinc/18/93/20/349189320.db2.gz KVAOHJSPWKKANU-CHWFTXMASA-N 1 0 226.320 0.668 10 0 BCAERO COC(=O)[C@@H]1CCC[C@@H]1[NH2+]CC(C)(C)O ZINC000308935036 349168018 /nfs/dbraw/zinc/16/80/18/349168018.db2.gz KONVFQKJDBGKTP-BDAKNGLRSA-N 1 0 215.293 0.689 10 0 BCAERO C[C@@H](CC(=[NH2+])NO)n1cc(S(C)(=O)=O)cn1 ZINC000725251418 538030170 /nfs/dbraw/zinc/03/01/70/538030170.db2.gz HTNHYFKKLMJRNR-LURJTMIESA-N 1 0 246.292 0.194 10 0 BCAERO CC[C@@H](C(=[NH2+])NO)n1cc(S(C)(=O)=O)cn1 ZINC000725253004 538034767 /nfs/dbraw/zinc/03/47/67/538034767.db2.gz ZUIMAVZQAUXCJQ-ZETCQYMHSA-N 1 0 246.292 0.194 10 0 BCAERO CC(C)(C)OC[C@H](O)C[NH2+][C@@H]1C[C@H](O)C1(C)C ZINC000253097382 349227178 /nfs/dbraw/zinc/22/71/78/349227178.db2.gz MTNADPIDUOOWIF-MXWKQRLJSA-N 1 0 245.363 0.911 10 0 BCAERO CC(C)(C)OC[C@H](O)C[NH2+][C@H]1C[C@H](O)C1(C)C ZINC000253097383 349227338 /nfs/dbraw/zinc/22/73/38/349227338.db2.gz MTNADPIDUOOWIF-VWYCJHECSA-N 1 0 245.363 0.911 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)O1 ZINC000251908413 349192992 /nfs/dbraw/zinc/19/29/92/349192992.db2.gz TUUSUSXRVVTRFQ-ZRUFSTJUSA-N 1 0 226.320 0.750 10 0 BCAERO CS(=O)(=O)c1cnn(-c2cc[nH+]cc2N)c1 ZINC000725252507 538033701 /nfs/dbraw/zinc/03/37/01/538033701.db2.gz MNTRUYMXJQHWEG-UHFFFAOYSA-N 1 0 238.272 0.253 10 0 BCAERO CS(=O)(=O)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000725253388 538037494 /nfs/dbraw/zinc/03/74/94/538037494.db2.gz UVLMTNXAUPDDPB-QMMMGPOBSA-N 1 0 229.305 0.211 10 0 BCAERO C[NH2+][C@@H]1CCC[C@@H]1n1cc(S(C)(=O)=O)cn1 ZINC000725253601 538037556 /nfs/dbraw/zinc/03/75/56/538037556.db2.gz XXBRPVYDNWGXHX-ZJUUUORDSA-N 1 0 243.332 0.600 10 0 BCAERO CCC[C@H]([NH3+])Cn1cc(S(C)(=O)=O)cn1 ZINC000725253523 538037666 /nfs/dbraw/zinc/03/76/66/538037666.db2.gz WQQMULNLQQFCLF-QMMMGPOBSA-N 1 0 231.321 0.414 10 0 BCAERO C[NH2+]C[C@]1(O)CCCN(c2cc(C)ncn2)C1 ZINC000616580101 349243609 /nfs/dbraw/zinc/24/36/09/349243609.db2.gz UWFFSTAWFRPVFO-GFCCVEGCSA-N 1 0 236.319 0.336 10 0 BCAERO Cc1n[nH]c(C)c1NC(=O)[C@H]1CCC[NH2+]C1 ZINC000036736542 179828910 /nfs/dbraw/zinc/82/89/10/179828910.db2.gz SDQLGXGFFYAKGD-VIFPVBQESA-N 1 0 222.292 0.965 10 0 BCAERO C[C@H]1OCC[C@H]1[NH2+][C@@H]1CCCN(C)C1=O ZINC000382228798 349286267 /nfs/dbraw/zinc/28/62/67/349286267.db2.gz OZVVVQHPIRJWDQ-OPRDCNLKSA-N 1 0 212.293 0.374 10 0 BCAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)Nc1nncs1 ZINC000395231167 323222321 /nfs/dbraw/zinc/22/23/21/323222321.db2.gz CCPMCLFDGNHJTE-BQBZGAKWSA-N 1 0 226.305 0.865 10 0 BCAERO CC[NH2+]C[C@H](O)c1c(C)cnn1COC ZINC000725253738 538039461 /nfs/dbraw/zinc/03/94/61/538039461.db2.gz WKIPENLVGLBGOK-VIFPVBQESA-N 1 0 213.281 0.438 10 0 BCAERO CC(=O)N1c2ccccc2NC[C@H]1C[NH3+] ZINC000616585637 349378028 /nfs/dbraw/zinc/37/80/28/349378028.db2.gz RHIQGGLDKSVFDS-SECBINFHSA-N 1 0 205.261 0.792 10 0 BCAERO C[C@@H]1CC[N@H+](C[C@@](C)(O)C[NH3+])C[C@@H]1C ZINC000221909819 349424335 /nfs/dbraw/zinc/42/43/35/349424335.db2.gz QKJZKQGNKUISMN-VWYCJHECSA-N 1 0 200.326 0.674 10 0 BCAERO C[C@H]1[NH2+]CCC/C1=C\CS(C)(=O)=O ZINC000396674292 349427635 /nfs/dbraw/zinc/42/76/35/349427635.db2.gz SDVJKDUBHNKPTM-CBVZUMJXSA-N 1 0 203.307 0.729 10 0 BCAERO COC[C@@]1(CC(=O)N(C)C)CCC[NH2+]1 ZINC000616590671 350014311 /nfs/dbraw/zinc/01/43/11/350014311.db2.gz JNPOVBHWBANXLI-JTQLQIEISA-N 1 0 200.282 0.233 10 0 BCAERO Cn1cncc1[C@@H]1[C@H]([NH3+])CCC(=O)N1C1CC1 ZINC000090166888 191001136 /nfs/dbraw/zinc/00/11/36/191001136.db2.gz UIRUZPCIRDZFOC-SKDRFNHKSA-N 1 0 234.303 0.573 10 0 BCAERO C[C@]1(C(=O)NC[C@H]2CCCCO2)CCC[NH2+]1 ZINC000070619171 350028714 /nfs/dbraw/zinc/02/87/14/350028714.db2.gz SQPCZDLSUOFRDV-ZYHUDNBSSA-N 1 0 226.320 0.814 10 0 BCAERO CC1(C[NH2+][C@H]2CCc3ncnn3C2)CC1 ZINC000309121840 350036674 /nfs/dbraw/zinc/03/66/74/350036674.db2.gz OBSLKYSCZGTUJI-VIFPVBQESA-N 1 0 206.293 0.983 10 0 BCAERO COC1CCN(C(=O)[C@]2(C)CCC[NH2+]2)CC1 ZINC000070652833 350039195 /nfs/dbraw/zinc/03/91/95/350039195.db2.gz HDPHWXFQXDRDNU-LBPRGKRZSA-N 1 0 226.320 0.766 10 0 BCAERO C[NH2+][C@H](C)C(=O)N[C@H]1c2ccccc2C[C@@H]1O ZINC000302094988 350041155 /nfs/dbraw/zinc/04/11/55/350041155.db2.gz PUYKXQWPMKZWTN-ZHAHWJHGSA-N 1 0 234.299 0.369 10 0 BCAERO Cc1nc(COC[C@@H]2CCC[NH2+]C2)no1 ZINC000051815182 179979294 /nfs/dbraw/zinc/97/92/94/179979294.db2.gz VPTAESSJRUDJNQ-SECBINFHSA-N 1 0 211.265 0.894 10 0 BCAERO CC(C)(C)NC(=O)NC[C@@H]([NH3+])C1CCOCC1 ZINC000725254868 538048563 /nfs/dbraw/zinc/04/85/63/538048563.db2.gz HWBNXLUWYBIVPW-SNVBAGLBSA-N 1 0 243.351 0.838 10 0 BCAERO CCCNC(=O)NC[C@H]([NH3+])[C@@H]1CCCOC1 ZINC000725255003 538049995 /nfs/dbraw/zinc/04/99/95/538049995.db2.gz NNNZFKMSTMBAFI-ZJUUUORDSA-N 1 0 229.324 0.450 10 0 BCAERO CC(C)C(=[NH2+])N(C)[C@H]1CCS(=O)(=O)C1 ZINC000062990915 350100469 /nfs/dbraw/zinc/10/04/69/350100469.db2.gz QRDQOJXCLRLWQU-QMMMGPOBSA-N 1 0 218.322 0.739 10 0 BCAERO CN(C(=[NH2+])C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000062990916 350100604 /nfs/dbraw/zinc/10/06/04/350100604.db2.gz XKCICOYOLKWLLP-MRVPVSSYSA-N 1 0 216.306 0.493 10 0 BCAERO Cn1nccc1CNC(=O)C[C@H]1CCC[NH2+]C1 ZINC000071334888 350102423 /nfs/dbraw/zinc/10/24/23/350102423.db2.gz ZUYVDNWSIMLHJR-SNVBAGLBSA-N 1 0 236.319 0.426 10 0 BCAERO Cc1nc(SC(N)=[NH2+])nc2c1CCO2 ZINC000017424606 180028345 /nfs/dbraw/zinc/02/83/45/180028345.db2.gz MZUUABVJSFQJSF-UHFFFAOYSA-N 1 0 210.262 0.705 10 0 BCAERO CC(C)NC(=O)NC[C@@H]([NH3+])[C@@H]1CCCOC1 ZINC000725255253 538050381 /nfs/dbraw/zinc/05/03/81/538050381.db2.gz XNBDLEAARPQQLT-NXEZZACHSA-N 1 0 229.324 0.448 10 0 BCAERO Cc1nc(N2CCS(=O)CC2)sc1C[NH3+] ZINC000054999519 180002068 /nfs/dbraw/zinc/00/20/68/180002068.db2.gz WALLJTAUSQXZHI-UHFFFAOYSA-N 1 0 245.373 0.479 10 0 BCAERO Cc1nc(N[C@@H]2CCC[NH2+]C2)[nH]c(=O)c1C ZINC000045946928 180022772 /nfs/dbraw/zinc/02/27/72/180022772.db2.gz VMGQWPWJCSQWIK-SECBINFHSA-N 1 0 222.292 0.551 10 0 BCAERO NC(=O)C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000051769768 350098220 /nfs/dbraw/zinc/09/82/20/350098220.db2.gz CFGGENOZVPOCQP-MNOVXSKESA-N 1 0 226.320 0.487 10 0 BCAERO CCC[C@@H]1C[C@H]1NC(=O)C[C@@H](C[NH3+])OC ZINC000219238168 350117805 /nfs/dbraw/zinc/11/78/05/350117805.db2.gz SYURKTAFODFQCO-KXUCPTDWSA-N 1 0 214.309 0.655 10 0 BCAERO COc1ccc(C[NH3+])c2c1C[C@@H](C(=O)[O-])[NH2+]C2 ZINC000725256185 538055282 /nfs/dbraw/zinc/05/52/82/538055282.db2.gz WBQOMEBCBPOBHC-JTQLQIEISA-N 1 0 236.271 0.253 10 0 BCAERO COc1ccc(C[NH3+])cc1N(C)S(C)(=O)=O ZINC000725256131 538055382 /nfs/dbraw/zinc/05/53/82/538055382.db2.gz USRYCBJSGHNCIY-UHFFFAOYSA-N 1 0 244.316 0.550 10 0 BCAERO Cc1c(C[NH3+])ccc2c1C[C@@H](C(=O)[O-])[NH2+]C2 ZINC000725256182 538055408 /nfs/dbraw/zinc/05/54/08/538055408.db2.gz VXFNUIVZVYJMOT-NSHDSACASA-N 1 0 220.272 0.553 10 0 BCAERO CC(C)NC(=O)CC[NH2+]C[C@H](O)C(C)(C)C ZINC000304282946 350150001 /nfs/dbraw/zinc/15/00/01/350150001.db2.gz XPWXUDCZODIROQ-JTQLQIEISA-N 1 0 230.352 0.898 10 0 BCAERO CCCC[C@]1(C)[C@H]([NH3+])CS(=O)(=O)N1C ZINC000725256292 538056614 /nfs/dbraw/zinc/05/66/14/538056614.db2.gz BDXCELTWULMOPL-RKDXNWHRSA-N 1 0 220.338 0.538 10 0 BCAERO CCC[C@]1(C)[C@@H]([NH3+])CS(=O)(=O)N1C ZINC000725256339 538056993 /nfs/dbraw/zinc/05/69/93/538056993.db2.gz FXPDVLAIMOOQKE-JGVFFNPUSA-N 1 0 206.311 0.148 10 0 BCAERO CC(C)(C)[C@@H](O)C[NH2+]CCNC(=O)C1CC1 ZINC000304209347 350144318 /nfs/dbraw/zinc/14/43/18/350144318.db2.gz DPYGAJFVNPOEGW-JTQLQIEISA-N 1 0 228.336 0.509 10 0 BCAERO CCn1cnnc1C[NH2+]C[C@H](O)C(C)(C)C ZINC000304234355 350145811 /nfs/dbraw/zinc/14/58/11/350145811.db2.gz LUDVYCSBBLAZLV-VIFPVBQESA-N 1 0 226.324 0.795 10 0 BCAERO [NH3+]Cc1ccc(Cl)c2c1C[NH2+][C@H](C(=O)[O-])C2 ZINC000725255709 538053663 /nfs/dbraw/zinc/05/36/63/538053663.db2.gz JKLCRKXHSSQRJX-JTQLQIEISA-N 1 0 240.690 0.898 10 0 BCAERO CC[C@H](CO)[N@@H+](C)CCN(C)[C@@H](CC)CO ZINC000022872101 350151503 /nfs/dbraw/zinc/15/15/03/350151503.db2.gz JDUGXBIFCYWLQZ-TXEJJXNPSA-N 1 0 232.368 0.392 10 0 BCAERO C[C@@H]1C[C@@H]1Cn1nnc(C[NH3+])c1-c1ccnn1C ZINC000725257193 538062119 /nfs/dbraw/zinc/06/21/19/538062119.db2.gz INQWMVSLUOVDRJ-RKDXNWHRSA-N 1 0 246.318 0.793 10 0 BCAERO C[NH2+][C@H](C)CNc1ccnc(C(=O)OC)n1 ZINC000304313044 350153633 /nfs/dbraw/zinc/15/36/33/350153633.db2.gz QSIGWXONOHZTAY-SSDOTTSWSA-N 1 0 224.264 0.283 10 0 BCAERO Cc1nc2ccccn2c1CNC1=[NH+]CCN1 ZINC000211784089 180107739 /nfs/dbraw/zinc/10/77/39/180107739.db2.gz UDKXMEUMOGKINY-UHFFFAOYSA-N 1 0 229.287 0.692 10 0 BCAERO C[NH2+][C@@H](C)CNc1ccnc(C(=O)OC)n1 ZINC000304313045 350154242 /nfs/dbraw/zinc/15/42/42/350154242.db2.gz QSIGWXONOHZTAY-ZETCQYMHSA-N 1 0 224.264 0.283 10 0 BCAERO CCCC[C@]1(C)[C@@H]([NH3+])CS(=O)(=O)N1CC ZINC000725256501 538058043 /nfs/dbraw/zinc/05/80/43/538058043.db2.gz QUACWBDQMIWXLB-VHSXEESVSA-N 1 0 234.365 0.928 10 0 BCAERO CCCC[C@@]1(C)[C@@H]([NH3+])CS(=O)(=O)N1CC ZINC000725256500 538058090 /nfs/dbraw/zinc/05/80/90/538058090.db2.gz QUACWBDQMIWXLB-UWVGGRQHSA-N 1 0 234.365 0.928 10 0 BCAERO COC(=O)[C@H]1Cc2[nH]c(N)[nH+]c2[C@H](C)C1 ZINC000725256658 538058475 /nfs/dbraw/zinc/05/84/75/538058475.db2.gz AOAXSZUXLLBDRX-PHDIDXHHSA-N 1 0 209.249 0.831 10 0 BCAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CCCCO ZINC000251803194 538059194 /nfs/dbraw/zinc/05/91/94/538059194.db2.gz OBDORLNQHBDROL-RYUDHWBXSA-N 1 0 240.347 0.844 10 0 BCAERO Cc1nc2ccccc2n1C[C@H]([NH3+])C(N)=O ZINC000045431291 180102933 /nfs/dbraw/zinc/10/29/33/180102933.db2.gz PZNYKUVIXCCXIT-QMMMGPOBSA-N 1 0 218.260 0.157 10 0 BCAERO Cn1nccc1-c1cc(=O)[nH]c(C2([NH3+])CCC2)n1 ZINC000725257491 538063714 /nfs/dbraw/zinc/06/37/14/538063714.db2.gz OOIHBTZGVQKRPO-UHFFFAOYSA-N 1 0 245.286 0.921 10 0 BCAERO O=C(N1CCCCCC1)[C@]1(O)CCC[NH2+]C1 ZINC000216223334 490361798 /nfs/dbraw/zinc/36/17/98/490361798.db2.gz ZLQWHXXFURKHJW-LBPRGKRZSA-N 1 0 226.320 0.504 10 0 BCAERO Cc1nc[nH]c1C[NH2+]Cc1cnn(C)c1 ZINC000054797101 180122253 /nfs/dbraw/zinc/12/22/53/180122253.db2.gz LCUJBIDFWSFCSS-UHFFFAOYSA-N 1 0 205.265 0.741 10 0 BCAERO CC(=O)c1ccc(S(=O)(=O)CC[NH3+])cc1 ZINC000098096046 191061724 /nfs/dbraw/zinc/06/17/24/191061724.db2.gz AQRMWCZTQNDNHD-UHFFFAOYSA-N 1 0 227.285 0.622 10 0 BCAERO Cc1ncc(N)cc1C(=O)NCC[NH+]1CCCC1 ZINC000054110433 180164105 /nfs/dbraw/zinc/16/41/05/180164105.db2.gz KNGBOIZAWFMNMF-UHFFFAOYSA-N 1 0 248.330 0.798 10 0 BCAERO Cc1ncc(N)cc1C(=O)N[C@H]1CC[N@@H+](C)C1 ZINC000042543646 180164337 /nfs/dbraw/zinc/16/43/37/180164337.db2.gz FTFGOKBTBRLLRT-JTQLQIEISA-N 1 0 234.303 0.406 10 0 BCAERO COc1ccc(CN2C[C@H]([NH3+])C2=O)c(OC)c1 ZINC000104839802 191066337 /nfs/dbraw/zinc/06/63/37/191066337.db2.gz GKBVDCVXOHWAOI-JTQLQIEISA-N 1 0 236.271 0.373 10 0 BCAERO Cc1ncc([C@@H]2NC(=O)CC[C@H]2[NH3+])s1 ZINC000076643519 180173719 /nfs/dbraw/zinc/17/37/19/180173719.db2.gz UJXSIGRVTBOLPY-HZGVNTEJSA-N 1 0 211.290 0.730 10 0 BCAERO Cc1ncc(CNC(=O)[C@H]2CC[NH2+]C2)s1 ZINC000062116365 180149792 /nfs/dbraw/zinc/14/97/92/180149792.db2.gz UDVXHHZQCZIBLR-QMMMGPOBSA-N 1 0 225.317 0.677 10 0 BCAERO Cc1nccc(CN[C@@H]2CCC[NH2+]C2)n1 ZINC000043327366 180191384 /nfs/dbraw/zinc/19/13/84/180191384.db2.gz JSQNBAPIAAKFGW-SNVBAGLBSA-N 1 0 206.293 0.627 10 0 BCAERO Cc1nccc(C[NH2+][C@@H]2CCC(=O)N[C@H]2C)n1 ZINC000339393212 180192253 /nfs/dbraw/zinc/19/22/53/180192253.db2.gz NQQDBMZJZWCCOL-GZMMTYOYSA-N 1 0 234.303 0.542 10 0 BCAERO CC[C@@H]([NH3+])Cc1nc(-c2ccnn2C)cc(=O)[nH]1 ZINC000725257845 538070330 /nfs/dbraw/zinc/07/03/30/538070330.db2.gz YQANMCKTYBCVDP-MRVPVSSYSA-N 1 0 247.302 0.863 10 0 BCAERO Cc1nccc(C[NH2+][C@H]2CCC[C@H]2O)n1 ZINC000038037929 180192629 /nfs/dbraw/zinc/19/26/29/180192629.db2.gz ZBOWNILTKGCFKS-WDEREUQCSA-N 1 0 207.277 0.788 10 0 BCAERO Cc1nccc(C[NH2+][C@H]2CCN(C)C2)n1 ZINC000054790838 180192999 /nfs/dbraw/zinc/19/29/99/180192999.db2.gz VFEWPVOYJLEAEA-NSHDSACASA-N 1 0 206.293 0.579 10 0 BCAERO O=C(Nc1ccnn1C1C[NH2+]C1)NC1CC1 ZINC000725258172 538072052 /nfs/dbraw/zinc/07/20/52/538072052.db2.gz JHTHHNNVKUWPOD-UHFFFAOYSA-N 1 0 221.264 0.311 10 0 BCAERO Cc1nccc(NC[C@@H]2C[NH2+]CCO2)n1 ZINC000227786337 180200071 /nfs/dbraw/zinc/20/00/71/180200071.db2.gz SRAOVFQHWQVVAF-VIFPVBQESA-N 1 0 208.265 0.185 10 0 BCAERO Cc1nccc(CN2CCC[C@@H]([NH3+])C2=O)n1 ZINC000070061565 180182746 /nfs/dbraw/zinc/18/27/46/180182746.db2.gz YJTFWQYNFKQYFW-SNVBAGLBSA-N 1 0 220.276 0.235 10 0 BCAERO Cc1nccc(CNC2CC[NH2+]CC2)n1 ZINC000038041593 180187251 /nfs/dbraw/zinc/18/72/51/180187251.db2.gz GJZWBJDRYZZCCW-UHFFFAOYSA-N 1 0 206.293 0.627 10 0 BCAERO Cc1nccc(CNC(=O)[C@H]2C[NH2+]C[C@@H]2C)n1 ZINC000104213205 180187530 /nfs/dbraw/zinc/18/75/30/180187530.db2.gz KLIUCRZCHJNZQA-KWQFWETISA-N 1 0 234.303 0.257 10 0 BCAERO Cc1nccc(C[NH2+]C2CCS(=O)CC2)n1 ZINC000042354037 180187627 /nfs/dbraw/zinc/18/76/27/180187627.db2.gz VWEHGQYJSQFSQG-UHFFFAOYSA-N 1 0 239.344 0.786 10 0 BCAERO Cc1ncccc1C(=O)N1CC[C@@H]([NH3+])[C@H]1C ZINC000309345198 180209617 /nfs/dbraw/zinc/20/96/17/180209617.db2.gz WGKWZQAEWCVPFM-MWLCHTKSSA-N 1 0 219.288 0.952 10 0 BCAERO Cc1nccn1-c1ccc(C(N)=[NH2+])cn1 ZINC000019471212 180229025 /nfs/dbraw/zinc/22/90/25/180229025.db2.gz YMKHJDYYIOFKKP-UHFFFAOYSA-N 1 0 201.233 0.860 10 0 BCAERO [NH3+]C[C@@H]1CCCCN1C(=O)C[C@@H]1CCCO1 ZINC000083524426 350233608 /nfs/dbraw/zinc/23/36/08/350233608.db2.gz LQVMNHOYSDWBQJ-QWRGUYRKSA-N 1 0 226.320 0.895 10 0 BCAERO Cc1nccn1CCN1CCC[C@@H]1C[NH3+] ZINC000049330738 180249904 /nfs/dbraw/zinc/24/99/04/180249904.db2.gz KVYXSMUXWCDLTM-LLVKDONJSA-N 1 0 208.309 0.615 10 0 BCAERO [NH3+]C(CO)(CO)c1ccc(C(F)(F)F)cc1 ZINC000309255370 350244927 /nfs/dbraw/zinc/24/49/27/350244927.db2.gz SEEHEKIFAFGRRT-UHFFFAOYSA-N 1 0 235.205 0.844 10 0 BCAERO Cc1nc(CN2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)no1 ZINC000309271389 350248344 /nfs/dbraw/zinc/24/83/44/350248344.db2.gz DCOHICGRZBSUAB-IVZWLZJFSA-N 1 0 222.292 0.547 10 0 BCAERO Cc1nccn1CCN1CC[NH2+]C[C@@H]1C ZINC000054374739 180256901 /nfs/dbraw/zinc/25/69/01/180256901.db2.gz YORNDZIBEHOXMO-JTQLQIEISA-N 1 0 208.309 0.485 10 0 BCAERO O=C1C[C@@H](Nc2ccnn2C2C[NH2+]C2)CCCN1 ZINC000725258834 538077459 /nfs/dbraw/zinc/07/74/59/538077459.db2.gz FVQSPXSZOQBSAH-VIFPVBQESA-N 1 0 249.318 0.108 10 0 BCAERO O=C(Nc1ccnn1C1C[NH2+]C1)n1ccnc1 ZINC000725258880 538077786 /nfs/dbraw/zinc/07/77/86/538077786.db2.gz IIYAOPASQMPAJV-UHFFFAOYSA-N 1 0 232.247 0.304 10 0 BCAERO Cc1nccn1[C@@H](c1cnn(C)c1)[C@H](C)[NH3+] ZINC000043232538 180272561 /nfs/dbraw/zinc/27/25/61/180272561.db2.gz PXWJIVHUVMBTSM-GZMMTYOYSA-N 1 0 219.292 0.862 10 0 BCAERO CCc1nsc(N(C)[C@H]2CC[NH2+]C2)n1 ZINC000083670643 350284099 /nfs/dbraw/zinc/28/40/99/350284099.db2.gz RBFFIFAQNJMFFG-ZETCQYMHSA-N 1 0 212.322 0.899 10 0 BCAERO Cc1nccnc1N(C)C[C@H]1CCC[NH2+]1 ZINC000095070959 180274929 /nfs/dbraw/zinc/27/49/29/180274929.db2.gz NRMXLAULHHFVKM-SNVBAGLBSA-N 1 0 206.293 0.973 10 0 BCAERO CC(C)([C@@H]1C[NH+]2CCC1CC2)S(N)(=O)=O ZINC000725261520 538087253 /nfs/dbraw/zinc/08/72/53/538087253.db2.gz YBQHHBALFUQGRJ-SECBINFHSA-N 1 0 232.349 0.395 10 0 BCAERO Cc1nccn1CCO[C@@H]1CCC[NH2+]C1 ZINC000049330814 180262939 /nfs/dbraw/zinc/26/29/39/180262939.db2.gz KHROLNOCLQYYOB-LLVKDONJSA-N 1 0 209.293 0.960 10 0 BCAERO C(NC1=[NH+]CCCS1)[C@@H]1COCCO1 ZINC000038062789 350301275 /nfs/dbraw/zinc/30/12/75/350301275.db2.gz OFHLMNOGZNYPAI-MRVPVSSYSA-N 1 0 216.306 0.484 10 0 BCAERO Cc1ncncc1C(=O)NCC[C@H]1CCC[N@H+]1C ZINC000097694601 180292543 /nfs/dbraw/zinc/29/25/43/180292543.db2.gz WWCHCUGPBGCBCY-LLVKDONJSA-N 1 0 248.330 0.999 10 0 BCAERO Cc1nccnc1N1CC[C@@](C)(C[NH3+])C1 ZINC000235815868 180277138 /nfs/dbraw/zinc/27/71/38/180277138.db2.gz VVGIFMIZGFAVDV-NSHDSACASA-N 1 0 206.293 0.960 10 0 BCAERO Cc1nccnc1S(=O)(=O)C[C@H]1CC[NH2+]C1 ZINC000095068752 180280143 /nfs/dbraw/zinc/28/01/43/180280143.db2.gz SBCFOSGHZSEBAA-VIFPVBQESA-N 1 0 241.316 0.168 10 0 BCAERO Cc1nccnc1[S@@](=O)C[C@H]1CCC[NH2+]1 ZINC000095068793 180283108 /nfs/dbraw/zinc/28/31/08/180283108.db2.gz LOWJHGORXZVWEC-RFAUZJTJSA-N 1 0 225.317 0.645 10 0 BCAERO Cc1nccnc1[S@@](=O)C[C@@H]1CC[NH2+]C1 ZINC000095068799 180283504 /nfs/dbraw/zinc/28/35/04/180283504.db2.gz PHSHGSXJIHEOIW-RFAUZJTJSA-N 1 0 225.317 0.502 10 0 BCAERO COCC[NH2+]C[C@@H](O)COCc1ccccc1 ZINC000037849357 350287239 /nfs/dbraw/zinc/28/72/39/350287239.db2.gz SBCJOKGPNMTOGF-CYBMUJFWSA-N 1 0 239.315 0.800 10 0 BCAERO OCC[NH2+]C[C@H](O)COCc1ccccc1 ZINC000037850443 350287714 /nfs/dbraw/zinc/28/77/14/350287714.db2.gz GTGVZKBKSXRSAQ-LBPRGKRZSA-N 1 0 225.288 0.146 10 0 BCAERO [NH3+]CCCOCC(=O)NCc1ccccc1 ZINC000051864947 350289938 /nfs/dbraw/zinc/28/99/38/350289938.db2.gz WTLLVNVYUWOMOY-UHFFFAOYSA-N 1 0 222.288 0.668 10 0 BCAERO Cc1ncn(-c2ccc(C[NH3+])nn2)c1C ZINC000051928486 180285804 /nfs/dbraw/zinc/28/58/04/180285804.db2.gz LXWAXJWUVUBBNZ-UHFFFAOYSA-N 1 0 203.249 0.738 10 0 BCAERO C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CCC[C@@H]2O)C1 ZINC000386241667 362954261 /nfs/dbraw/zinc/95/42/61/362954261.db2.gz PAFBNIPKQSVCOW-VWYCJHECSA-N 1 0 226.320 0.215 10 0 BCAERO Cc1ncsc1CCN1CCO[C@@H](CO)C1 ZINC000086831563 180309611 /nfs/dbraw/zinc/30/96/11/180309611.db2.gz QPDDDCWENIAMLQ-SNVBAGLBSA-N 1 0 242.344 0.687 10 0 BCAERO Cc1nn(C)c(C)c1C[NH2+][C@H](C)C(=O)N(C)C ZINC000036793855 180341862 /nfs/dbraw/zinc/34/18/62/180341862.db2.gz QMACNFOSVNEEQQ-SECBINFHSA-N 1 0 238.335 0.603 10 0 BCAERO Cc1nn(C)c(C)c1C[NH2+][C@H](C)C(N)=O ZINC000035148884 180342166 /nfs/dbraw/zinc/34/21/66/180342166.db2.gz DISFRJSXCQYECF-SSDOTTSWSA-N 1 0 210.281 0.000 10 0 BCAERO Cc1nn(C)c(C)c1NC(=O)C[NH2+]C1CC1 ZINC000040419345 180342955 /nfs/dbraw/zinc/34/29/55/180342955.db2.gz BNJHDLJOTLYTFI-UHFFFAOYSA-N 1 0 222.292 0.727 10 0 BCAERO Cc1nn(C)c(OCC[NH+]2CCCC2)c1N ZINC000040240081 180360224 /nfs/dbraw/zinc/36/02/24/180360224.db2.gz JWSXTSVQIOCFHT-UHFFFAOYSA-N 1 0 224.308 0.785 10 0 BCAERO CCOC(=O)c1nn(CC)c(N)c1C1C[NH2+]C1 ZINC000725265404 538092798 /nfs/dbraw/zinc/09/27/98/538092798.db2.gz YQCRQLSWCMEXMP-UHFFFAOYSA-N 1 0 238.291 0.349 10 0 BCAERO Cc1nn(CC(=O)NC(C)C)c(C)c1C[NH3+] ZINC000036868298 180384967 /nfs/dbraw/zinc/38/49/67/180384967.db2.gz WSNITNZWZHYSRR-UHFFFAOYSA-N 1 0 224.308 0.483 10 0 BCAERO CC(C)[NH2+]C[C@@H]1Cn2c(nnc2C(C)C)CN1 ZINC000725265018 538093331 /nfs/dbraw/zinc/09/33/31/538093331.db2.gz RCUQBNJEADUDJI-SNVBAGLBSA-N 1 0 237.351 0.871 10 0 BCAERO CC(C)[NH2+]C[C@@H]1Cn2c(nnc2C2CC2)CN1 ZINC000725265021 538093343 /nfs/dbraw/zinc/09/33/43/538093343.db2.gz SEOPXKROTLKDHC-SNVBAGLBSA-N 1 0 235.335 0.625 10 0 BCAERO CCn1ccnc1-c1cnnn1[C@H]1CC[NH2+]C1 ZINC000725265993 538094440 /nfs/dbraw/zinc/09/44/40/538094440.db2.gz DKWZTGJZNAAQOK-VIFPVBQESA-N 1 0 232.291 0.696 10 0 BCAERO Cc1nnc(-n2nnc(C[NH3+])c2C)s1 ZINC000062426629 180396157 /nfs/dbraw/zinc/39/61/57/180396157.db2.gz DBWQKZQISLMOEJ-UHFFFAOYSA-N 1 0 210.266 0.194 10 0 BCAERO C[C@@H]1CC[C@@H](NS(C)(=O)=O)[C@@H](C)[NH2+]1 ZINC000227520931 350498806 /nfs/dbraw/zinc/49/88/06/350498806.db2.gz ACYYEQZWQCXNOB-BWZBUEFSSA-N 1 0 206.311 0.065 10 0 BCAERO Cc1nn(CC[C@@H]([NH3+])C(N)=O)c(C)c1Cl ZINC000062538092 180388670 /nfs/dbraw/zinc/38/86/70/180388670.db2.gz LQDXRYXXVRZCHH-SSDOTTSWSA-N 1 0 230.699 0.356 10 0 BCAERO CC1(C)CN(C(=O)[C@H]2CC[NH2+]C2)CCO1 ZINC000062113036 350539439 /nfs/dbraw/zinc/53/94/39/350539439.db2.gz FIZKKNYMPRNEFX-VIFPVBQESA-N 1 0 212.293 0.233 10 0 BCAERO C[C@H](CC(N)=S)[N@@H+]1CCN(C)[C@@H](C)C1 ZINC000216561253 350569300 /nfs/dbraw/zinc/56/93/00/350569300.db2.gz BBTRJQQZNGTYPH-BDAKNGLRSA-N 1 0 215.366 0.687 10 0 BCAERO C[C@H](C(N)=S)[N@@H+]1CCN(C)[C@@H](C)C1 ZINC000216561326 350569734 /nfs/dbraw/zinc/56/97/34/350569734.db2.gz OXBSGVFSBHNGEH-JGVFFNPUSA-N 1 0 201.339 0.297 10 0 BCAERO C[C@@H]1C[C@@H](N2CC(=O)CC2=O)CC[N@@H+]1C ZINC000128842365 350576199 /nfs/dbraw/zinc/57/61/99/350576199.db2.gz GXUFSMWISPAVSJ-BDAKNGLRSA-N 1 0 210.277 0.271 10 0 BCAERO CCn1ncnc1-c1cnnn1[C@H]1CC[NH2+]C1 ZINC000725266201 538095487 /nfs/dbraw/zinc/09/54/87/538095487.db2.gz WJRGWCBDLLMHIV-QMMMGPOBSA-N 1 0 233.279 0.091 10 0 BCAERO C[C@H]1C[C@H](N2CC(=O)CC2=O)CC[N@@H+]1C ZINC000128842128 350577971 /nfs/dbraw/zinc/57/79/71/350577971.db2.gz GXUFSMWISPAVSJ-DTWKUNHWSA-N 1 0 210.277 0.271 10 0 BCAERO Nc1ncccc1[C@H]1CC[N@H+](CCO)CCO1 ZINC000616593606 350582157 /nfs/dbraw/zinc/58/21/57/350582157.db2.gz AFBGCLXCUDIBDW-LLVKDONJSA-N 1 0 237.303 0.420 10 0 BCAERO Nc1ccc2c(CC[NH3+])cc(=O)oc2c1 ZINC000616594007 350586289 /nfs/dbraw/zinc/58/62/89/350586289.db2.gz ZMMSRKQCGMTKHZ-UHFFFAOYSA-N 1 0 204.229 0.876 10 0 BCAERO CCOC(=O)c1n[nH]nc1[C@@H]1CC[NH2+]C[C@@H]1C ZINC000725266615 538097058 /nfs/dbraw/zinc/09/70/58/538097058.db2.gz VAKCYZYNRDEUTA-JGVFFNPUSA-N 1 0 238.291 0.694 10 0 BCAERO [NH3+]CCN1CCCOC[C@@H]1c1ccncc1 ZINC000616596928 350638542 /nfs/dbraw/zinc/63/85/42/350638542.db2.gz KSOXCAPLIKZYAG-GFCCVEGCSA-N 1 0 221.304 0.804 10 0 BCAERO Cc1noc(C)c1C(=O)N1CC[C@H](C[NH3+])C1 ZINC000050245712 180463099 /nfs/dbraw/zinc/46/30/99/180463099.db2.gz WYUOQYFBADINKL-SECBINFHSA-N 1 0 223.276 0.712 10 0 BCAERO OCC[N@@H+]1CCCO[C@@H](c2cnco2)C1 ZINC000616597362 350652692 /nfs/dbraw/zinc/65/26/92/350652692.db2.gz DVGCJEKSXQRAGQ-SNVBAGLBSA-N 1 0 212.249 0.430 10 0 BCAERO [NH3+]CCN1CCOCC[C@H]1c1cnoc1 ZINC000616598111 350655050 /nfs/dbraw/zinc/65/50/50/350655050.db2.gz ONWWIWQYFCOOHN-JTQLQIEISA-N 1 0 211.265 0.397 10 0 BCAERO OCC[NH+]1CCC(NCc2cscn2)CC1 ZINC000309512379 350685115 /nfs/dbraw/zinc/68/51/15/350685115.db2.gz PYGAYQSMXNORNQ-UHFFFAOYSA-N 1 0 241.360 0.689 10 0 BCAERO CC[C@@H](C(N)=S)[N@@H+]1CCN(C)C[C@@H]1C ZINC000234047319 350689689 /nfs/dbraw/zinc/68/96/89/350689689.db2.gz GPLIWKGKPWTQGP-IUCAKERBSA-N 1 0 215.366 0.687 10 0 BCAERO OCC[N@@H+]1CCCOC[C@@H]1c1cccnc1 ZINC000616599010 350700455 /nfs/dbraw/zinc/70/04/55/350700455.db2.gz HBGNLEWXRVSZSC-GFCCVEGCSA-N 1 0 222.288 0.837 10 0 BCAERO COC[C@H](C)[NH2+][C@H]1CCN(C(C)=O)C[C@@H]1C ZINC000309551623 350749046 /nfs/dbraw/zinc/74/90/46/350749046.db2.gz ILAPCJHGDZSYTF-NHCYSSNCSA-N 1 0 228.336 0.868 10 0 BCAERO O=C1NCCN[C@@]12CC[N@H+](Cc1ccccc1)C2 ZINC000051924772 350726531 /nfs/dbraw/zinc/72/65/31/350726531.db2.gz RTICKRNDRHFIOU-CQSZACIVSA-N 1 0 245.326 0.351 10 0 BCAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@H](C)OC ZINC000245435387 350819777 /nfs/dbraw/zinc/81/97/77/350819777.db2.gz SPZOGVBSFHNJGT-QWRGUYRKSA-N 1 0 228.336 0.964 10 0 BCAERO C[C@H]1[C@H](N(C)C)CC[N@@H+]1CC(N)=S ZINC000306673377 350819860 /nfs/dbraw/zinc/81/98/60/350819860.db2.gz NKVSMSLYKVFDRL-JGVFFNPUSA-N 1 0 201.339 0.297 10 0 BCAERO [NH3+]CCN1CCCOC[C@@H]1OC(F)(F)F ZINC000616599956 350777937 /nfs/dbraw/zinc/77/79/37/350777937.db2.gz TYIOWTFROXIXRA-ZETCQYMHSA-N 1 0 228.214 0.530 10 0 BCAERO c1cc2nnccc2c([C@H]2C[NH2+]CCN2)c1 ZINC000616601309 350782583 /nfs/dbraw/zinc/78/25/83/350782583.db2.gz PWGXISQOBUVQHA-GFCCVEGCSA-N 1 0 214.272 0.864 10 0 BCAERO CC(C)(C)N1CC[NH2+]C[C@@H]1S(C)(=O)=O ZINC000616605483 350794935 /nfs/dbraw/zinc/79/49/35/350794935.db2.gz ZAEXSSMOJGXPFI-QMMMGPOBSA-N 1 0 220.338 0.061 10 0 BCAERO Nc1ncccc1[C@@H]1CCN(CC[NH3+])C1 ZINC000616611279 350810635 /nfs/dbraw/zinc/81/06/35/350810635.db2.gz CCXSWKBCMJUCES-SECBINFHSA-N 1 0 206.293 0.412 10 0 BCAERO CNC(=S)N[C@H]1CC[N@H+](C)C[C@H]1C ZINC000051976304 350835541 /nfs/dbraw/zinc/83/55/41/350835541.db2.gz AMTRKTUUVHNCEK-SFYZADRCSA-N 1 0 201.339 0.421 10 0 BCAERO C[C@@H]1[C@@H](O)CCCN1Cc1cnns1 ZINC000306689911 350844153 /nfs/dbraw/zinc/84/41/53/350844153.db2.gz ACYZBIFHIMWALZ-APPZFPTMSA-N 1 0 213.306 0.883 10 0 BCAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]C1CSC1 ZINC000306693124 350846216 /nfs/dbraw/zinc/84/62/16/350846216.db2.gz QUKVPJOMBHGIGB-XPUUQOCRSA-N 1 0 200.307 0.359 10 0 BCAERO CNC(=S)N[C@H]1CCC[C@@H]1[NH+](C)C ZINC000306696292 350847519 /nfs/dbraw/zinc/84/75/19/350847519.db2.gz WIHVQQTWZXZQPM-YUMQZZPRSA-N 1 0 201.339 0.563 10 0 BCAERO O=C(NC1C[NH2+]C1)[C@H]1CCCC1(F)F ZINC000306698468 350847887 /nfs/dbraw/zinc/84/78/87/350847887.db2.gz CTEPXRIWMWGWSR-SSDOTTSWSA-N 1 0 204.220 0.510 10 0 BCAERO CN1CC[C@H]([NH2+]CC2(C)OCCO2)C1 ZINC000306699457 350848925 /nfs/dbraw/zinc/84/89/25/350848925.db2.gz DLFCQDUYEAXJPP-VIFPVBQESA-N 1 0 200.282 0.043 10 0 BCAERO COc1nc(N2CC[C@H](C[NH3+])C2)cs1 ZINC000306701672 350850924 /nfs/dbraw/zinc/85/09/24/350850924.db2.gz GYVZOBIKDHBLMN-SSDOTTSWSA-N 1 0 213.306 0.937 10 0 BCAERO Cc1nn(C)cc1C(=O)[C@H]1C[NH2+]C[C@@H]1C ZINC000306704593 350852115 /nfs/dbraw/zinc/85/21/15/350852115.db2.gz JPNYWCSNIDSPNW-CBAPKCEASA-N 1 0 207.277 0.767 10 0 BCAERO COC1(C[N@H+](C)CCN(C)CCO)CCCC1 ZINC000623090803 350859296 /nfs/dbraw/zinc/85/92/96/350859296.db2.gz ABYJZGXFJXFNKY-UHFFFAOYSA-N 1 0 244.379 0.802 10 0 BCAERO Cc1cc(C[NH2+][C@@H]2CCNC2=O)ccn1 ZINC000623561955 362986212 /nfs/dbraw/zinc/98/62/12/362986212.db2.gz CTOPKZWAHZSOJX-SNVBAGLBSA-N 1 0 205.261 0.368 10 0 BCAERO [NH3+]C[C@]1([C@H]2COC[C@@H]2O)CCCS1 ZINC000306676302 350828527 /nfs/dbraw/zinc/82/85/27/350828527.db2.gz VURAKTHDSVDAPY-CIUDSAMLSA-N 1 0 203.307 0.218 10 0 BCAERO Cc1nnsc1CN1C[C@H](C)[C@H]([NH3+])C1 ZINC000306728353 350899467 /nfs/dbraw/zinc/89/94/67/350899467.db2.gz NOEZWKVBTIHAFC-POYBYMJQSA-N 1 0 212.322 0.626 10 0 BCAERO CC[C@@H]1C[S@](=O)[C@H]2COCC[C@H]2[NH2+]1 ZINC000251779382 350903068 /nfs/dbraw/zinc/90/30/68/350903068.db2.gz MZQXBIGXGDTSMJ-SKNMHBRKSA-N 1 0 203.307 0.274 10 0 BCAERO CC(C)[S@](=O)N1CCC[C@H]([NH3+])[C@H]1C ZINC000306733748 350903448 /nfs/dbraw/zinc/90/34/48/350903448.db2.gz NKZSQKKLUSKNKM-ZDMBXUJBSA-N 1 0 204.339 0.870 10 0 BCAERO CS(=O)(=O)N1CCC[C@H](c2c[nH]cn2)C1 ZINC000616618459 350912457 /nfs/dbraw/zinc/91/24/57/350912457.db2.gz ZNYYMYXIUBFLKR-QMMMGPOBSA-N 1 0 229.305 0.549 10 0 BCAERO C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CC[C@H](C)O1 ZINC000252691282 350914062 /nfs/dbraw/zinc/91/40/62/350914062.db2.gz XLYWGOWZKRGRMX-DCAQKATOSA-N 1 0 226.320 0.764 10 0 BCAERO C[C@@H]1C[C@H](C)[C@H](C)[N@H+](C[C@@H](N)CO)C1 ZINC000253106037 350918686 /nfs/dbraw/zinc/91/86/86/350918686.db2.gz UFFLQVXFFCBYAY-VPOLOUISSA-N 1 0 200.326 0.672 10 0 BCAERO NC(=O)c1ccc(C2CCN(CC[NH3+])CC2)cc1 ZINC000616619113 350926941 /nfs/dbraw/zinc/92/69/41/350926941.db2.gz DHERSEPNHOVVOA-UHFFFAOYSA-N 1 0 247.342 0.924 10 0 BCAERO C[C@@H]([NH3+])C(=O)N1CCSC[C@@H](C)C1 ZINC000306747118 350934580 /nfs/dbraw/zinc/93/45/80/350934580.db2.gz IYYSZUJTOOJJGN-JGVFFNPUSA-N 1 0 202.323 0.545 10 0 BCAERO C[C@H]([C@@H]([NH3+])c1cccnc1)S(C)(=O)=O ZINC000228651179 350935699 /nfs/dbraw/zinc/93/56/99/350935699.db2.gz ZFVVROHEEVVPNN-VXNVDRBHSA-N 1 0 214.290 0.515 10 0 BCAERO NC(=O)c1ccc([C@H]2CCC[N@H+](CCO)C2)cc1 ZINC000616617656 350871193 /nfs/dbraw/zinc/87/11/93/350871193.db2.gz BCHQPHYOZCOYTL-ZDUSSCGKSA-N 1 0 248.326 0.957 10 0 BCAERO Nc1cccc([C@H]2CCC[N@H+](CCO)C2)n1 ZINC000616617697 350872109 /nfs/dbraw/zinc/87/21/09/350872109.db2.gz FAWDZBKPSPYHHD-JTQLQIEISA-N 1 0 221.304 0.836 10 0 BCAERO C[C@H]([NH3+])CNC(=O)[C@@H]1CCCC1(F)F ZINC000306713960 350874028 /nfs/dbraw/zinc/87/40/28/350874028.db2.gz WAUCTHCUPBZMAR-BQBZGAKWSA-N 1 0 206.236 0.885 10 0 BCAERO CC(C)(C)[N@@H+]1CCC[C@H](S(N)(=O)=O)C1 ZINC000616618183 350884363 /nfs/dbraw/zinc/88/43/63/350884363.db2.gz QSMDLCNCOIOGFQ-QMMMGPOBSA-N 1 0 220.338 0.538 10 0 BCAERO CC(C)S(=O)(=O)N1C[C@@H]([NH3+])C[C@@H]1C ZINC000306721994 350889380 /nfs/dbraw/zinc/88/93/80/350889380.db2.gz PHQLQCKNKSJEQP-YUMQZZPRSA-N 1 0 206.311 0.146 10 0 BCAERO C[C@@H](O)C[N@@H+]1CCCC[C@H]1C(N)=S ZINC000251124326 350891297 /nfs/dbraw/zinc/89/12/97/350891297.db2.gz RVDDEJBZTLGXLY-SFYZADRCSA-N 1 0 202.323 0.508 10 0 BCAERO CC[C@H](C)NC(=O)[C@]1(C)COC[C@H]1[NH3+] ZINC000251939194 362989874 /nfs/dbraw/zinc/98/98/74/362989874.db2.gz SHMDNUMZVIIMRW-QXFUBDJGSA-N 1 0 200.282 0.265 10 0 BCAERO Cn1ncc(Cl)c1CN1CC([NH3+])C1 ZINC000306759799 350964895 /nfs/dbraw/zinc/96/48/95/350964895.db2.gz VVWUBUSPLRUXHI-UHFFFAOYSA-N 1 0 200.673 0.216 10 0 BCAERO Nc1cc(CC(=O)[C@H]2CC[NH2+]C2)ccn1 ZINC000226330226 351007766 /nfs/dbraw/zinc/00/77/66/351007766.db2.gz DYMOIEVGXKPBTL-VIFPVBQESA-N 1 0 205.261 0.385 10 0 BCAERO [NH3+][C@@H]1C[C@H]1NC(=O)[C@H]1CC1(Cl)Cl ZINC000306757812 350970665 /nfs/dbraw/zinc/97/06/65/350970665.db2.gz NWQUVDIGWADHOX-UOWFLXDJSA-N 1 0 209.076 0.396 10 0 BCAERO OC[C@]12C[NH2+]C[C@H]1CN(Cc1ccccc1)C2 ZINC000306761911 350987807 /nfs/dbraw/zinc/98/78/07/350987807.db2.gz GHZDSTSBLWNSOD-UONOGXRCSA-N 1 0 232.327 0.700 10 0 BCAERO C[C@@H]1CN([S@@](=O)C2CCCC2)C[C@H]1[NH3+] ZINC000306772034 351009657 /nfs/dbraw/zinc/00/96/57/351009657.db2.gz CXQXILADWNGTCJ-PWZJLYFZSA-N 1 0 216.350 0.872 10 0 BCAERO CO[C@@H]1C[C@@H](CO)[N@H+](CC2=CCCOC2)C1 ZINC000344015653 351009674 /nfs/dbraw/zinc/00/96/74/351009674.db2.gz LQDDVQBFUSBMDX-NWDGAFQWSA-N 1 0 227.304 0.415 10 0 BCAERO Cn1nncc1C(=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC000129189549 351004293 /nfs/dbraw/zinc/00/42/93/351004293.db2.gz NHQWJERCIRLAEE-YUMQZZPRSA-N 1 0 208.265 0.515 10 0 BCAERO c1nnc2c(NCC3CC[NH2+]CC3)nccn12 ZINC000079471069 350945956 /nfs/dbraw/zinc/94/59/56/350945956.db2.gz IWAONPJXMGDETK-UHFFFAOYSA-N 1 0 232.291 0.536 10 0 BCAERO CC[S@](=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000306775512 351016689 /nfs/dbraw/zinc/01/66/89/351016689.db2.gz WXZLWNMARMJKIJ-RVBZMBCESA-N 1 0 202.323 0.354 10 0 BCAERO CC[S@](=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000306775513 351016732 /nfs/dbraw/zinc/01/67/32/351016732.db2.gz WXZLWNMARMJKIJ-RWEMILLDSA-N 1 0 202.323 0.354 10 0 BCAERO NC(=O)[C@H]1CCC[N@@H+]1[C@H]1CCSC1 ZINC000306782631 351027246 /nfs/dbraw/zinc/02/72/46/351027246.db2.gz KPWKMGYSGWBAJS-JGVFFNPUSA-N 1 0 200.307 0.442 10 0 BCAERO C[C@@H]1SCC[C@@H]1N1CC[C@H]([NH3+])C1=O ZINC000306782503 351030395 /nfs/dbraw/zinc/03/03/95/351030395.db2.gz KIFDHAFXVYUVDN-FXQIFTODSA-N 1 0 200.307 0.440 10 0 BCAERO C[C@H]([NH3+])[C@H](C)N1CCC[S@@](=O)CC1 ZINC000306786089 351033638 /nfs/dbraw/zinc/03/36/38/351033638.db2.gz KPAJNOHATPNZFR-MWODSPESSA-N 1 0 204.339 0.177 10 0 BCAERO C[C@H]1C[NH2+]C[C@@H](CN=S(C)(C)=O)C1 ZINC000306783972 351034283 /nfs/dbraw/zinc/03/42/83/351034283.db2.gz RPUSCSLAADNZIG-BDAKNGLRSA-N 1 0 204.339 0.960 10 0 BCAERO CN(C1C[NH2+]C1)[S@](=O)c1ccccc1 ZINC000306795824 351043561 /nfs/dbraw/zinc/04/35/61/351043561.db2.gz GXAVZCPHHQRUSG-CQSZACIVSA-N 1 0 210.302 0.613 10 0 BCAERO O=C([C@H]1CC[NH2+]1)N1CCC=C(Cl)C1 ZINC000404178513 351055520 /nfs/dbraw/zinc/05/55/20/351055520.db2.gz IQUPOCDMBGZPIJ-MRVPVSSYSA-N 1 0 200.669 0.703 10 0 BCAERO Cn1ncc(C(=O)C[C@@H]2CCC[NH2+]C2)n1 ZINC000306771151 351013247 /nfs/dbraw/zinc/01/32/47/351013247.db2.gz CEAYHSGAVTUFKX-QMMMGPOBSA-N 1 0 208.265 0.388 10 0 BCAERO CN1CC[NH2+][C@@H](c2cccc(C(N)=O)c2)C1 ZINC000616631588 351105117 /nfs/dbraw/zinc/10/51/17/351105117.db2.gz AEJAGNMOALOWHV-LLVKDONJSA-N 1 0 219.288 0.362 10 0 BCAERO c1nnc([C@@H]2C[N@H+](Cc3ccccc3)CCN2)[nH]1 ZINC000616632047 351110345 /nfs/dbraw/zinc/11/03/45/351110345.db2.gz LNJRMRBIYSJVJF-LBPRGKRZSA-N 1 0 243.314 0.951 10 0 BCAERO CC(C)[N@@H+]1CCN[C@@H](c2ccnnc2)C1 ZINC000616632441 351110947 /nfs/dbraw/zinc/11/09/47/351110947.db2.gz QVRZKYNMKWXNAZ-LLVKDONJSA-N 1 0 206.293 0.831 10 0 BCAERO c1cc2cc([C@@H]3C[NH2+]CCN3)ccc2nn1 ZINC000616632885 351113863 /nfs/dbraw/zinc/11/38/63/351113863.db2.gz YJYZPYGBUHDLJI-LBPRGKRZSA-N 1 0 214.272 0.864 10 0 BCAERO [NH3+]CCN1CC[NH2+][C@H](c2cccc(C(=O)[O-])c2)C1 ZINC000616634268 351117279 /nfs/dbraw/zinc/11/72/79/351117279.db2.gz PCKNOOCYEDJPKD-LBPRGKRZSA-N 1 0 249.314 0.290 10 0 BCAERO C[C@@H](Cn1cccn1)NC(=O)[C@@]1(C)CCC[NH2+]1 ZINC000079512233 351067958 /nfs/dbraw/zinc/06/79/58/351067958.db2.gz GOWVJZQMAJYDFL-CMPLNLGQSA-N 1 0 236.319 0.530 10 0 BCAERO c1nsc(N2CC[C@]3(CC[NH2+]C3)C2)n1 ZINC000306819570 351087585 /nfs/dbraw/zinc/08/75/85/351087585.db2.gz HFILKRDWQWWBNL-VIFPVBQESA-N 1 0 210.306 0.728 10 0 BCAERO CCN1CC[NH2+]C[C@H]1c1cccc(N)n1 ZINC000616636460 351125242 /nfs/dbraw/zinc/12/52/42/351125242.db2.gz AOGDOZITPSBNNJ-JTQLQIEISA-N 1 0 206.293 0.630 10 0 BCAERO [NH3+]CCN1CCCC[C@@H](c2cn[nH]n2)C1 ZINC000616627457 351095582 /nfs/dbraw/zinc/09/55/82/351095582.db2.gz FRWAJVDQHUMRBK-SECBINFHSA-N 1 0 209.297 0.333 10 0 BCAERO OCC[N@@H+]1CCC[C@H](c2cn[nH]n2)CC1 ZINC000616627795 351097009 /nfs/dbraw/zinc/09/70/09/351097009.db2.gz OBJSJTFKWCNNGO-VIFPVBQESA-N 1 0 210.281 0.367 10 0 BCAERO COC(=O)N1CCCO[C@@H](CC[NH3+])C1 ZINC000616653589 351193466 /nfs/dbraw/zinc/19/34/66/351193466.db2.gz YFBXJCMIWCUNKH-QMMMGPOBSA-N 1 0 202.254 0.193 10 0 BCAERO CC(C)(C)[N@@H+]1CCCO[C@H](C(N)=O)C1 ZINC000616648753 351177298 /nfs/dbraw/zinc/17/72/98/351177298.db2.gz BGDHGFIEWVNLGX-QMMMGPOBSA-N 1 0 200.282 0.361 10 0 BCAERO COC(=O)[C@@H]1CCCC[N@H+](CCO)C1 ZINC000616651858 351189081 /nfs/dbraw/zinc/18/90/81/351189081.db2.gz ASFWLZBPBOFCJS-SECBINFHSA-N 1 0 201.266 0.254 10 0 BCAERO CNc1cccc([C@H]2C[NH2+]CCN2CCO)c1 ZINC000616636800 351128980 /nfs/dbraw/zinc/12/89/80/351128980.db2.gz OXQJBBXKXROZSK-CYBMUJFWSA-N 1 0 235.331 0.667 10 0 BCAERO O=[S@](C[C@H]1C[NH2+]CCO1)c1cccs1 ZINC000306824700 351132005 /nfs/dbraw/zinc/13/20/05/351132005.db2.gz UUYLHFIYWDEWGS-XLKFXECMSA-N 1 0 231.342 0.844 10 0 BCAERO NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CC12COC2 ZINC000306825232 351135115 /nfs/dbraw/zinc/13/51/15/351135115.db2.gz WKJCUQFYTFYABH-LBPRGKRZSA-N 1 0 246.310 0.620 10 0 BCAERO CN1CC[NH2+]C[C@H]1c1ccc(CO)cc1 ZINC000616638024 351135631 /nfs/dbraw/zinc/13/56/31/351135631.db2.gz UFLPNOJKJHWDGE-LBPRGKRZSA-N 1 0 206.289 0.755 10 0 BCAERO CC(C)N1CC[NH2+]C[C@@H]1c1ncccn1 ZINC000616637943 351136495 /nfs/dbraw/zinc/13/64/95/351136495.db2.gz SSXPIBYKSWCIAE-SNVBAGLBSA-N 1 0 206.293 0.831 10 0 BCAERO CC(=O)N1CC[NH2+]C[C@H]1c1ccc(N)cc1 ZINC000616638209 351138148 /nfs/dbraw/zinc/13/81/48/351138148.db2.gz HBHYOROOWGKHHR-LBPRGKRZSA-N 1 0 219.288 0.762 10 0 BCAERO CC(=O)N1CC[NH2+]C[C@H]1c1cccc(CCO)c1 ZINC000616638780 351139524 /nfs/dbraw/zinc/13/95/24/351139524.db2.gz JWIQHRXKRUPMFC-AWEZNQCLSA-N 1 0 248.326 0.714 10 0 BCAERO Nc1ccccc1[C@H]1COCCN1CC[NH3+] ZINC000616639094 351141164 /nfs/dbraw/zinc/14/11/64/351141164.db2.gz JUSAZDYCXUMNGC-GFCCVEGCSA-N 1 0 221.304 0.601 10 0 BCAERO NC(=O)N1CC[NH2+]C[C@H]1c1cccc(N)c1 ZINC000616639244 351141324 /nfs/dbraw/zinc/14/13/24/351141324.db2.gz RHNDURDEMMLHGJ-JTQLQIEISA-N 1 0 220.276 0.294 10 0 BCAERO [NH3+]CCN1CCOC[C@@H]1c1ccccn1 ZINC000616639746 351142952 /nfs/dbraw/zinc/14/29/52/351142952.db2.gz OVPCNMSAFYYCDA-LLVKDONJSA-N 1 0 207.277 0.414 10 0 BCAERO COC(=O)[C@@H]1Cc2ccccc2N(CC[NH3+])C1 ZINC000616670967 351230854 /nfs/dbraw/zinc/23/08/54/351230854.db2.gz CGBGBVRZZPHEPF-LLVKDONJSA-N 1 0 234.299 0.797 10 0 BCAERO [NH3+]CCN1C[C@H](c2cn[nH]n2)Cc2ccccc21 ZINC000616672088 351235204 /nfs/dbraw/zinc/23/52/04/351235204.db2.gz IKLCHRCTMNOTCP-LLVKDONJSA-N 1 0 243.314 0.910 10 0 BCAERO CNc1ccc([C@H]2CN(C(N)=O)CCN2)cc1 ZINC000616654293 351195720 /nfs/dbraw/zinc/19/57/20/351195720.db2.gz PYNUTKFRZRODCX-LLVKDONJSA-N 1 0 234.303 0.753 10 0 BCAERO NC(=O)N1CCN[C@@H](c2ccc(CO)cc2)C1 ZINC000616654148 351195739 /nfs/dbraw/zinc/19/57/39/351195739.db2.gz MVHYDCOLTQEOQV-LLVKDONJSA-N 1 0 235.287 0.204 10 0 BCAERO [NH3+]CCN1CCOCC[C@@H]1c1cocn1 ZINC000616657723 351198946 /nfs/dbraw/zinc/19/89/46/351198946.db2.gz NKCJOFNYQFYTBS-SNVBAGLBSA-N 1 0 211.265 0.397 10 0 BCAERO CC(C)[N@@H+]1CCOC[C@H](c2cnno2)C1 ZINC000616657986 351199561 /nfs/dbraw/zinc/19/95/61/351199561.db2.gz AEMRIJYMVMNKAR-SECBINFHSA-N 1 0 211.265 0.894 10 0 BCAERO OCC[N@@H+]1CCCC[C@@H](c2cn[nH]c2)C1 ZINC000616656411 351202665 /nfs/dbraw/zinc/20/26/65/351202665.db2.gz XCYUCHVOSAFLEK-SNVBAGLBSA-N 1 0 209.293 0.972 10 0 BCAERO Nc1ncccc1[C@@H]1COCC[N@H+](CCO)C1 ZINC000616658934 351205254 /nfs/dbraw/zinc/20/52/54/351205254.db2.gz AAAITDOLUUMSFL-JTQLQIEISA-N 1 0 237.303 0.072 10 0 BCAERO CC[N@@H+]1CCOC[C@H](c2ccncn2)C1 ZINC000616659216 351206203 /nfs/dbraw/zinc/20/62/03/351206203.db2.gz HXTQEQAIYSOTMZ-SNVBAGLBSA-N 1 0 207.277 0.912 10 0 BCAERO OCC[N@@H+]1CCOC[C@@H](c2ccncc2)C1 ZINC000616659098 351206310 /nfs/dbraw/zinc/20/63/10/351206310.db2.gz CACJTJWIJWBMFE-LBPRGKRZSA-N 1 0 222.288 0.490 10 0 BCAERO CCOC(=O)N1CCOCC[C@@H]1CC[NH3+] ZINC000616660198 351208978 /nfs/dbraw/zinc/20/89/78/351208978.db2.gz TZYURMAGLFKLEV-VIFPVBQESA-N 1 0 216.281 0.583 10 0 BCAERO NC(=O)c1cccc([C@@H]2C[NH2+]CCOC2)c1 ZINC000616661926 351210444 /nfs/dbraw/zinc/21/04/44/351210444.db2.gz BWEZICOFJJKCFN-LLVKDONJSA-N 1 0 220.272 0.489 10 0 BCAERO CC(C)(C)[N@@H+]1CCOC[C@H](C(N)=O)C1 ZINC000616660726 351212957 /nfs/dbraw/zinc/21/29/57/351212957.db2.gz PQHWXGUQZHGQES-MRVPVSSYSA-N 1 0 200.282 0.219 10 0 BCAERO CC(=O)N[C@@H]1COCC[N@@H+](C(C)(C)C)C1 ZINC000616660716 351213142 /nfs/dbraw/zinc/21/31/42/351213142.db2.gz NRSKGDOHYQSRHZ-JTQLQIEISA-N 1 0 214.309 0.622 10 0 BCAERO CC(C)(C)OC(=O)NC[C@H]1CC[NH2+]CCO1 ZINC000616663765 351216604 /nfs/dbraw/zinc/21/66/04/351216604.db2.gz MYPIMKUYEFCWQP-SECBINFHSA-N 1 0 230.308 0.890 10 0 BCAERO CC(C)(C)OC(=O)N1CCO[C@H](C[NH3+])CC1 ZINC000616664018 351216608 /nfs/dbraw/zinc/21/66/08/351216608.db2.gz LJEGMXJVNPAXDZ-VIFPVBQESA-N 1 0 230.308 0.971 10 0 BCAERO [NH3+]CCN1CCOC[C@H](c2cccnc2)C1 ZINC000616664273 351218860 /nfs/dbraw/zinc/21/88/60/351218860.db2.gz TZGHZVOUTJWIRB-GFCCVEGCSA-N 1 0 221.304 0.456 10 0 BCAERO OCC[N@@H+]1CCO[C@H](n2cccn2)CC1 ZINC000616665591 351223242 /nfs/dbraw/zinc/22/32/42/351223242.db2.gz NIMROTCYNCWUPX-JTQLQIEISA-N 1 0 211.265 0.096 10 0 BCAERO CC(C)[N@@H+]1CCO[C@@H](c2nc[nH]n2)CC1 ZINC000616666144 351225769 /nfs/dbraw/zinc/22/57/69/351225769.db2.gz JBRIVBQOCVQYIS-SECBINFHSA-N 1 0 210.281 0.977 10 0 BCAERO CCOC(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000313345258 351334118 /nfs/dbraw/zinc/33/41/18/351334118.db2.gz FGXJDRIJUBTUPZ-MRVPVSSYSA-N 1 0 202.254 0.193 10 0 BCAERO [NH3+]Cc1nccn1-c1ncc(Cl)cn1 ZINC000168106464 351295527 /nfs/dbraw/zinc/29/55/27/351295527.db2.gz LCUDQCRMICUTMY-UHFFFAOYSA-N 1 0 209.640 0.774 10 0 BCAERO C[NH2+]C[C@H]1C[C@@]12CCCS(=O)(=O)C2 ZINC000068941098 351297461 /nfs/dbraw/zinc/29/74/61/351297461.db2.gz MZMWBCUDEVFCLS-RKDXNWHRSA-N 1 0 203.307 0.421 10 0 BCAERO C[C@H]([NH3+])CN(C)c1ncc(Cl)cn1 ZINC000168153575 351325242 /nfs/dbraw/zinc/32/52/42/351325242.db2.gz OJUMRFUWPQHKHH-LURJTMIESA-N 1 0 200.673 0.913 10 0 BCAERO C[C@@H]1CN(C(=O)C(F)(F)F)C[C@]1(C)C[NH3+] ZINC000306914483 351327576 /nfs/dbraw/zinc/32/75/76/351327576.db2.gz RQDDEOXEGWAMAV-SVRRBLITSA-N 1 0 224.226 0.992 10 0 BCAERO C[C@H]1C[NH2+]CC[C@H]1CN=S(C)(C)=O ZINC000306964497 351385213 /nfs/dbraw/zinc/38/52/13/351385213.db2.gz JDDMRVBQYGDBGF-IUCAKERBSA-N 1 0 204.339 0.960 10 0 BCAERO CO[C@@H]1C[C@H](C[NH3+])N(c2nncs2)C1 ZINC000306971142 351390872 /nfs/dbraw/zinc/39/08/72/351390872.db2.gz JVQXAWBKSSBSGW-RNFRBKRXSA-N 1 0 214.294 0.091 10 0 BCAERO C[C@@H]([NH2+]C1CCCC1)C(=O)N1CCOCC1 ZINC000034936812 351350091 /nfs/dbraw/zinc/35/00/91/351350091.db2.gz MXLLKBFVFJUAIA-SNVBAGLBSA-N 1 0 226.320 0.766 10 0 BCAERO CCOC(=O)N1CCC([NH2+][C@@H](C)C(N)=O)CC1 ZINC000034937454 351352290 /nfs/dbraw/zinc/35/22/90/351352290.db2.gz QOYJFNCRWWDKFK-QMMMGPOBSA-N 1 0 243.307 0.071 10 0 BCAERO C[C@@H]1C[C@H](NC(=O)[C@@H]2CC[NH2+]2)CS1 ZINC000307021501 351429994 /nfs/dbraw/zinc/42/99/94/351429994.db2.gz XDIYRLKVYBROAL-CSMHCCOUSA-N 1 0 200.307 0.359 10 0 BCAERO Cn1ccc(C(=O)N[C@H]2CCC[C@@H]2C[NH3+])n1 ZINC000231889821 351430497 /nfs/dbraw/zinc/43/04/97/351430497.db2.gz KQAJPVVKUXFJDU-BDAKNGLRSA-N 1 0 222.292 0.277 10 0 BCAERO Cn1ccc(C(=O)N[C@H]2CCC[C@H]2C[NH3+])n1 ZINC000231889869 351430684 /nfs/dbraw/zinc/43/06/84/351430684.db2.gz KQAJPVVKUXFJDU-IUCAKERBSA-N 1 0 222.292 0.277 10 0 BCAERO C[C@@]1(C(=O)N=S(C)(C)=O)CCC[C@@H]1[NH3+] ZINC000307038338 351436293 /nfs/dbraw/zinc/43/62/93/351436293.db2.gz GZNDSSQYWYRIGT-IONNQARKSA-N 1 0 218.322 0.758 10 0 BCAERO CC1(NC(=O)[C@@H]2CSCC[NH2+]2)CC1 ZINC000228855505 351441815 /nfs/dbraw/zinc/44/18/15/351441815.db2.gz CMZFQHUCXJGCSU-ZETCQYMHSA-N 1 0 200.307 0.360 10 0 BCAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)c1ccn(C)n1 ZINC000231897554 351443614 /nfs/dbraw/zinc/44/36/14/351443614.db2.gz YFFJMMCOLGVVEB-DTWKUNHWSA-N 1 0 222.292 0.290 10 0 BCAERO CC1(C)CCN(CC[NH3+])CC[S@]1=O ZINC000307057820 351457186 /nfs/dbraw/zinc/45/71/86/351457186.db2.gz ANCZTNDASMIVBF-CYBMUJFWSA-N 1 0 204.339 0.178 10 0 BCAERO O[C@@H]1C[NH2+]C[C@H]1N1CCC=C(Cl)C1 ZINC000404442512 351459277 /nfs/dbraw/zinc/45/92/77/351459277.db2.gz YGJOJGVTDYMANS-RKDXNWHRSA-N 1 0 202.685 0.148 10 0 BCAERO Nc1c[nH+]ccc1N1CCC2(C1)OCCO2 ZINC000307063689 351461012 /nfs/dbraw/zinc/46/10/12/351461012.db2.gz PWSKFUZUSTXDTN-UHFFFAOYSA-N 1 0 221.260 0.617 10 0 BCAERO C[C@H]1CCC[C@@]([NH3+])(C(=O)NCCF)C1 ZINC000307070380 351463985 /nfs/dbraw/zinc/46/39/85/351463985.db2.gz FBSSIWAFBRRUFN-WPRPVWTQSA-N 1 0 202.273 0.980 10 0 BCAERO C[C@H]([NH3+])CC(=O)Nc1cc(Cl)[nH]n1 ZINC000307074671 351464676 /nfs/dbraw/zinc/46/46/76/351464676.db2.gz DVJASUHRHYRLKD-BYPYZUCNSA-N 1 0 202.645 0.739 10 0 BCAERO [NH3+][C@@]1(c2ncncc2Br)CCOC1 ZINC000307074547 351464822 /nfs/dbraw/zinc/46/48/22/351464822.db2.gz DOBUCWUXDGMGAA-QMMMGPOBSA-N 1 0 244.092 0.813 10 0 BCAERO Cc1nnc(CN[C@H]2CCC[NH2+]C2)s1 ZINC000307004685 351418123 /nfs/dbraw/zinc/41/81/23/351418123.db2.gz DUQJCVPIBMEFTP-QMMMGPOBSA-N 1 0 212.322 0.688 10 0 BCAERO CC1([NH2+]C2CCS(=O)(=O)CC2)CC1 ZINC000228834254 351418259 /nfs/dbraw/zinc/41/82/59/351418259.db2.gz DVYFEZQBFBBIHQ-UHFFFAOYSA-N 1 0 203.307 0.706 10 0 BCAERO [NH3+]C1(c2csc(=O)[nH]2)CCOCC1 ZINC000231876337 351425922 /nfs/dbraw/zinc/42/59/22/351425922.db2.gz RGJIYBJSJLZMPP-UHFFFAOYSA-N 1 0 200.263 0.813 10 0 BCAERO CC(C)[S@@](=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000307137327 351494388 /nfs/dbraw/zinc/49/43/88/351494388.db2.gz WXRMZJUFBJQWSI-VYUIOLGVSA-N 1 0 202.323 0.210 10 0 BCAERO C[C@H]1SCC[C@@H]1[NH2+]C1CS(=O)(=O)C1 ZINC000307138326 351495310 /nfs/dbraw/zinc/49/53/10/351495310.db2.gz AFUIAOKKKVXVTA-SVRRBLITSA-N 1 0 221.347 0.267 10 0 BCAERO [NH3+]C[C@@H]1CSCCN1c1nncs1 ZINC000307146919 351499511 /nfs/dbraw/zinc/49/95/11/351499511.db2.gz OBBJWTGHXWMKFL-ZCFIWIBFSA-N 1 0 216.335 0.419 10 0 BCAERO C/C(=C\Cl)C[NH2+][C@H]1CC(=O)N(C)C1=O ZINC000232000191 351502331 /nfs/dbraw/zinc/50/23/31/351502331.db2.gz FNVCHHMFIULMSU-KNIZRNDPSA-N 1 0 216.668 0.476 10 0 BCAERO CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@H]1C[NH3+] ZINC000307149237 351504387 /nfs/dbraw/zinc/50/43/87/351504387.db2.gz QWQOVHQSXJGTPM-SFYZADRCSA-N 1 0 216.281 0.315 10 0 BCAERO COC[C@@H]([NH3+])C(=O)Nc1nc(C2CC2)cs1 ZINC000088003816 351507423 /nfs/dbraw/zinc/50/74/23/351507423.db2.gz ZXOUCWVPPLCMQK-SSDOTTSWSA-N 1 0 241.316 0.933 10 0 BCAERO CC[C@H](NC(=O)[C@H]([NH3+])COC)c1nccs1 ZINC000088004561 351510421 /nfs/dbraw/zinc/51/04/21/351510421.db2.gz PQGKPYJEGZBDFM-SFYZADRCSA-N 1 0 243.332 0.684 10 0 BCAERO COC[C@@H]([NH3+])C(=O)Nc1ccsc1 ZINC000088004901 351510783 /nfs/dbraw/zinc/51/07/83/351510783.db2.gz SDJAFNMBTBQPMH-SSDOTTSWSA-N 1 0 200.263 0.660 10 0 BCAERO COC[C@H]([NH3+])C(=O)N1CCC(C)(C)C1 ZINC000088005041 351512210 /nfs/dbraw/zinc/51/22/10/351512210.db2.gz BREKIWBBWGCBOB-QMMMGPOBSA-N 1 0 200.282 0.219 10 0 BCAERO O=C(/C=C\c1cccs1)NC1C[NH2+]C1 ZINC000218265469 351469395 /nfs/dbraw/zinc/46/93/95/351469395.db2.gz KVOKKJSKDZZVBF-ARJAWSKDSA-N 1 0 208.286 0.849 10 0 BCAERO C[C@H]1C[C@H]([NH3+])CCN1C(=O)C(F)(F)F ZINC000133671142 351470020 /nfs/dbraw/zinc/47/00/20/351470020.db2.gz YIQYSFQFXXENRM-NTSWFWBYSA-N 1 0 210.199 0.887 10 0 BCAERO O=C(N1CC[C@@H]2CC[NH2+][C@@H]2C1)C(F)(F)F ZINC000307099343 351477530 /nfs/dbraw/zinc/47/75/30/351477530.db2.gz RYANGMKIUDRKMV-NKWVEPMBSA-N 1 0 222.210 0.759 10 0 BCAERO CC(C)(NC(=O)C1([NH3+])CC1)C(F)(F)F ZINC000307110659 351480909 /nfs/dbraw/zinc/48/09/09/351480909.db2.gz BTXNUBYYLQZCDQ-UHFFFAOYSA-N 1 0 210.199 0.935 10 0 BCAERO CC1(C)C[N@H+](CC(N)=S)CC[C@H]1O ZINC000307116417 351487961 /nfs/dbraw/zinc/48/79/61/351487961.db2.gz YEQRDYKGDYHKBR-SSDOTTSWSA-N 1 0 202.323 0.365 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N(C)Cc1cccs1 ZINC000088002814 351487968 /nfs/dbraw/zinc/48/79/68/351487968.db2.gz GDEJUYAOFOADRT-SECBINFHSA-N 1 0 228.317 0.680 10 0 BCAERO C[C@@H]1C[NH2+]C[C@@H]1C(=O)N=S(C)(C)=O ZINC000307162758 351529660 /nfs/dbraw/zinc/52/96/60/351529660.db2.gz ILCBQTQUGALUKT-RQJHMYQMSA-N 1 0 204.295 0.096 10 0 BCAERO Nc1n[nH]c(S[C@@H]2CCCC[C@@H]2[NH3+])n1 ZINC000232017230 351530893 /nfs/dbraw/zinc/53/08/93/351530893.db2.gz KEZNYICYLDWLDC-NTSWFWBYSA-N 1 0 213.310 0.749 10 0 BCAERO CC(C)S(=O)(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000307187311 351587198 /nfs/dbraw/zinc/58/71/98/351587198.db2.gz OQWZTYLDZIXRAS-YUMQZZPRSA-N 1 0 206.311 0.146 10 0 BCAERO CC(C)S(=O)(=O)N1CC[C@@H]([NH3+])[C@@H]1C ZINC000307187309 351587348 /nfs/dbraw/zinc/58/73/48/351587348.db2.gz OQWZTYLDZIXRAS-JGVFFNPUSA-N 1 0 206.311 0.146 10 0 BCAERO CC[C@@H](C[NH3+])N1CC[C@H](O)C(C)(C)C1 ZINC000307187889 351590102 /nfs/dbraw/zinc/59/01/02/351590102.db2.gz WPJVXHJEEGHOET-UWVGGRQHSA-N 1 0 200.326 0.817 10 0 BCAERO C[C@@H]1C[C@@H](C)C[NH+](CC[C@@H]([NH3+])C(=O)[O-])C1 ZINC000218548819 538100722 /nfs/dbraw/zinc/10/07/22/538100722.db2.gz YQLXXAIHZDGVKU-OPRDCNLKSA-N 1 0 214.309 0.766 10 0 BCAERO COC1CC(C(=O)N2CCCC[C@H]2C[NH3+])C1 ZINC000637817290 351661511 /nfs/dbraw/zinc/66/15/11/351661511.db2.gz ROXLZOVDFGFRIF-YVNMAJEFSA-N 1 0 226.320 0.751 10 0 BCAERO CC(C(=O)N=S(C)(C)=O)=C1C[NH2+]C1 ZINC000307214897 351614944 /nfs/dbraw/zinc/61/49/44/351614944.db2.gz RYPVERJKFUGFGB-UHFFFAOYSA-N 1 0 202.279 0.160 10 0 BCAERO OC1(Cc2ccc(Br)o2)C[NH2+]C1 ZINC000307217829 351617246 /nfs/dbraw/zinc/61/72/46/351617246.db2.gz CNPOHOSZVIZWNR-UHFFFAOYSA-N 1 0 232.077 0.919 10 0 BCAERO C[S@](=O)CC1(O)C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000307219740 351620869 /nfs/dbraw/zinc/62/08/69/351620869.db2.gz WPSSCNRLZVKYFD-LFFRYVDOSA-N 1 0 203.307 0.010 10 0 BCAERO C[C@@H]1C[C@H](C(=O)N2CCC[C@H]([NH3+])C2)[C@@H](C)O1 ZINC000637798819 351627398 /nfs/dbraw/zinc/62/73/98/351627398.db2.gz NCCXBFGPGACIHX-ZNSHCXBVSA-N 1 0 226.320 0.750 10 0 BCAERO C[C@@H](CO)C[N@@H+]1CCC[C@H]1CCCO ZINC000252727745 538100935 /nfs/dbraw/zinc/10/09/35/538100935.db2.gz OVEQOIBPRDMKQJ-MNOVXSKESA-N 1 0 201.310 0.852 10 0 BCAERO [NH3+]C[C@@H]1CSCCN1[C@@H]1CCOC1 ZINC000307239592 351731520 /nfs/dbraw/zinc/73/15/20/351731520.db2.gz PQSLBWYRSRDIPJ-RKDXNWHRSA-N 1 0 202.323 0.151 10 0 BCAERO CN(C[C@H]1CCCO1)C(=O)C1=CC[C@H]([NH3+])C1 ZINC000637908604 351782547 /nfs/dbraw/zinc/78/25/47/351782547.db2.gz INFXQPVVRZCZCT-WDEREUQCSA-N 1 0 224.304 0.671 10 0 BCAERO C[C@H]1[C@H](O)CCC[N@@H+]1CCC(C)(C)[NH3+] ZINC000307253102 351784079 /nfs/dbraw/zinc/78/40/79/351784079.db2.gz UOKXGJFQULGEHT-VHSXEESVSA-N 1 0 200.326 0.959 10 0 BCAERO CN(C[C@H]1CCCO1)C(=O)CCC1C[NH2+]C1 ZINC000637909238 351784400 /nfs/dbraw/zinc/78/44/00/351784400.db2.gz HQDAEGBCJSGDSW-LLVKDONJSA-N 1 0 226.320 0.623 10 0 BCAERO C[C@@H](NC(=O)c1cnc(C[NH3+])nc1)C1CC1 ZINC000637892847 351761877 /nfs/dbraw/zinc/76/18/77/351761877.db2.gz PBGQJSZNFAAWGM-SSDOTTSWSA-N 1 0 220.276 0.464 10 0 BCAERO Cn1nnc(Br)c1[C@@H]1CC[NH2+]1 ZINC000307271154 351823854 /nfs/dbraw/zinc/82/38/54/351823854.db2.gz RJTUXHIFOYJDBO-BYPYZUCNSA-N 1 0 217.070 0.612 10 0 BCAERO c1[nH]nc2ncnc(N[C@H]3CCC[NH2+]C3)c12 ZINC000213518668 351824137 /nfs/dbraw/zinc/82/41/37/351824137.db2.gz YAGSZGXGQAEVMV-ZETCQYMHSA-N 1 0 218.264 0.517 10 0 BCAERO COC(=O)[C@H](C)NC[C@H]1C[NH2+]CC12CCC2 ZINC000725269370 538101317 /nfs/dbraw/zinc/10/13/17/538101317.db2.gz SSPIWSRBCQJJCH-VHSXEESVSA-N 1 0 226.320 0.527 10 0 BCAERO COC(=O)[C@@H]1CCC[N@@H+]([C@H]2[C@@H]3COC[C@@H]32)C1 ZINC000725269440 538101319 /nfs/dbraw/zinc/10/13/19/538101319.db2.gz LCKSBHQDXHBBJX-ZNSHCXBVSA-N 1 0 225.288 0.516 10 0 BCAERO O=C(N[C@@H]1CCOC12CC[NH2+]CC2)C1CC1 ZINC000725269459 538101363 /nfs/dbraw/zinc/10/13/63/538101363.db2.gz LPINAKHLXNJHHQ-SNVBAGLBSA-N 1 0 224.304 0.424 10 0 BCAERO C[C@H]1C[C@@H]1NC(=O)c1cnc(C[NH3+])nc1 ZINC000637934283 351811138 /nfs/dbraw/zinc/81/11/38/351811138.db2.gz MWWWQHUVEMTMQE-XPUUQOCRSA-N 1 0 206.249 0.074 10 0 BCAERO CN1CC([NH2+]C2CCC3(CC2)OCCO3)C1 ZINC000307281003 351845060 /nfs/dbraw/zinc/84/50/60/351845060.db2.gz JRLIAEHOTCWLPK-UHFFFAOYSA-N 1 0 226.320 0.576 10 0 BCAERO CCC(=O)N1CCC2(CC1)OCC[C@@H]2[NH3+] ZINC000725269378 538101483 /nfs/dbraw/zinc/10/14/83/538101483.db2.gz JNNYSRGQWDQOGW-VIFPVBQESA-N 1 0 212.293 0.505 10 0 BCAERO C[C@@H]1C[NH2+]CCN1[C@@H]1CCO[C@@]12CCOC2 ZINC000725268795 538101620 /nfs/dbraw/zinc/10/16/20/538101620.db2.gz AVBHFEWUZSDYHD-IJLUTSLNSA-N 1 0 226.320 0.228 10 0 BCAERO [NH3+][C@@H]1CC=C(C(=O)NC[C@@H]2CCCC[C@@H]2O)C1 ZINC000638012267 351890209 /nfs/dbraw/zinc/89/02/09/351890209.db2.gz VMKJJMGJKUUUJF-TUAOUCFPSA-N 1 0 238.331 0.701 10 0 BCAERO CCN1CCO[C@H](C[NH2+][C@H](C)[C@@H](C)OC)C1 ZINC000252740356 538101659 /nfs/dbraw/zinc/10/16/59/538101659.db2.gz JCTQETGGQYGDAP-IJLUTSLNSA-N 1 0 230.352 0.720 10 0 BCAERO C[C@H]1CCO[C@@H]1C(=O)NCC(C)(C)[NH3+] ZINC000168375010 351996549 /nfs/dbraw/zinc/99/65/49/351996549.db2.gz KGADKDFSSUJOAP-YUMQZZPRSA-N 1 0 200.282 0.265 10 0 BCAERO Cn1cc([C@H](C[NH3+])Sc2nncn2C)cn1 ZINC000043237490 180671050 /nfs/dbraw/zinc/67/10/50/180671050.db2.gz SLKJLXNXMOXEOZ-QMMMGPOBSA-N 1 0 238.320 0.341 10 0 BCAERO CC[C@H](NC(C)=O)C(=O)N[C@H]1CCC[NH2+][C@@H]1C ZINC000638207080 352069414 /nfs/dbraw/zinc/06/94/14/352069414.db2.gz NVPSBHAVZQYGBZ-MIMYLULJSA-N 1 0 241.335 0.158 10 0 BCAERO C[NH2+]CC(=O)Nc1cc(Br)n(C)n1 ZINC000307322225 352016202 /nfs/dbraw/zinc/01/62/02/352016202.db2.gz YERODMDYBBFEFM-UHFFFAOYSA-N 1 0 247.096 0.341 10 0 BCAERO COC1CC(C(=O)NC[C@@H]2CC[NH2+]C2)C1 ZINC000638166415 352030599 /nfs/dbraw/zinc/03/05/99/352030599.db2.gz GOUSDFQIYJIHJJ-XNWIYYODSA-N 1 0 212.293 0.137 10 0 BCAERO C[C@@H]1OCC[C@@H]1NC(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638168852 352033260 /nfs/dbraw/zinc/03/32/60/352033260.db2.gz ISGIFZKTRPYENZ-SFGNSQDASA-N 1 0 210.277 0.328 10 0 BCAERO Cc1cocc1C(=O)NC[C@@H]1CC[NH2+]C1 ZINC000638168682 352036212 /nfs/dbraw/zinc/03/62/12/352036212.db2.gz URWXSZPYHUARBC-SECBINFHSA-N 1 0 208.261 0.927 10 0 BCAERO Cc1conc1C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000638167793 352036417 /nfs/dbraw/zinc/03/64/17/352036417.db2.gz PXBOSIIXWWXEHB-AEJSXWLSSA-N 1 0 235.287 0.792 10 0 BCAERO C([NH2+]C[C@@H]1COCCO1)[C@@H]1CCOC1 ZINC000038060504 187592067 /nfs/dbraw/zinc/59/20/67/187592067.db2.gz IAXPAYJOHMWVGA-VHSXEESVSA-N 1 0 201.266 0.028 10 0 BCAERO Cc1cc(C)c(C(=O)N2CC[C@H]([NH3+])[C@H]2C)c(=O)[nH]1 ZINC000638234301 352085679 /nfs/dbraw/zinc/08/56/79/352085679.db2.gz ISJQISKQLZMINH-ZJUUUORDSA-N 1 0 249.314 0.966 10 0 BCAERO N[C@@H]1C[NH2+]CC[C@H]1c1cccc(O)c1F ZINC000725270364 538102014 /nfs/dbraw/zinc/10/20/14/538102014.db2.gz IYOQYZBHRSWDIH-IONNQARKSA-N 1 0 210.252 0.936 10 0 BCAERO C[C@@H]1C[C@H](C(=O)N2C[C@H]([NH3+])[C@@H](C)C2)[C@H](C)O1 ZINC000638333059 352151731 /nfs/dbraw/zinc/15/17/31/352151731.db2.gz QYNNZGZDMIUMAV-SSRBZLIGSA-N 1 0 226.320 0.606 10 0 BCAERO COC1CC(C(=O)N2C[C@H](C)[C@H]([NH3+])C2)C1 ZINC000638331611 352153957 /nfs/dbraw/zinc/15/39/57/352153957.db2.gz LJLMSMHYDJVDAQ-AUXWQGHOSA-N 1 0 212.293 0.217 10 0 BCAERO O=C(CC1CC1)N[C@H]1CCOC12CC[NH2+]CC2 ZINC000725269883 538102255 /nfs/dbraw/zinc/10/22/55/538102255.db2.gz RAUVCCLSFDJTBX-NSHDSACASA-N 1 0 238.331 0.814 10 0 BCAERO CO[C@@H]1CCCN(C(=O)[C@@H]2CC[C@@H]([NH3+])C2)C1 ZINC000226316713 187637538 /nfs/dbraw/zinc/63/75/38/187637538.db2.gz PKCGOSUQUXEELR-GMTAPVOTSA-N 1 0 226.320 0.751 10 0 BCAERO C[C@@H](C(N)=O)[N@@H+]1CCSCC[C@H]1C ZINC000307352131 352259209 /nfs/dbraw/zinc/25/92/09/352259209.db2.gz BRQZEAAPPVQFDB-SFYZADRCSA-N 1 0 202.323 0.688 10 0 BCAERO [NH3+]CC1(C(=O)NCC2CC=CC2)CCOCC1 ZINC000638493792 352311482 /nfs/dbraw/zinc/31/14/82/352311482.db2.gz LOCWKJWFHSZDPX-UHFFFAOYSA-N 1 0 238.331 0.824 10 0 BCAERO CO[C@H]1C[NH2+][C@@H](C(=O)NCC2CC=CC2)C1 ZINC000638493788 352311547 /nfs/dbraw/zinc/31/15/47/352311547.db2.gz LMQZTDFLUGBGCP-GHMZBOCLSA-N 1 0 224.304 0.446 10 0 BCAERO C[C@@H]1C[C@H](CN=[S@@](C)(=O)N(C)C)CC[NH2+]1 ZINC000725270851 538102550 /nfs/dbraw/zinc/10/25/50/538102550.db2.gz SZEPISXWOWTGLB-IQMDTDKHSA-N 1 0 233.381 0.949 10 0 BCAERO C[S@](=O)N1CC[C@H]2C[NH2+]C[C@@H]2CC1 ZINC000307355501 352322644 /nfs/dbraw/zinc/32/26/44/352322644.db2.gz UITPYQXXFGWWIE-RVBZMBCESA-N 1 0 202.323 0.211 10 0 BCAERO C[C@H]1NC(=S)N(CCC[NH+](C)C)C1=O ZINC000033890394 187668214 /nfs/dbraw/zinc/66/82/14/187668214.db2.gz SJBSOVHQRAUNQD-SSDOTTSWSA-N 1 0 215.322 0.043 10 0 BCAERO COCCNC(=O)NC[C@@H]1CC[NH2+]C[C@H]1C ZINC000725271416 538102974 /nfs/dbraw/zinc/10/29/74/538102974.db2.gz MLKZOCLITVPXRH-ZJUUUORDSA-N 1 0 229.324 0.178 10 0 BCAERO [NH3+]C1(CNC(=O)[C@@H]2C[C@H]3C[C@H]3C2)CCOCC1 ZINC000638541992 352372045 /nfs/dbraw/zinc/37/20/45/352372045.db2.gz WAQPBYYSNKPOMZ-JGPRNRPPSA-N 1 0 238.331 0.657 10 0 BCAERO C[C@@H]1CN(C(=O)C2CC2)CC2(CC[NH2+]CC2)O1 ZINC000725271318 538103015 /nfs/dbraw/zinc/10/30/15/538103015.db2.gz CDERKCKZLJMALT-SNVBAGLBSA-N 1 0 238.331 0.766 10 0 BCAERO COCCNC(=O)NC[C@H]1CC[NH2+]C[C@H]1C ZINC000725271413 538103043 /nfs/dbraw/zinc/10/30/43/538103043.db2.gz MLKZOCLITVPXRH-NXEZZACHSA-N 1 0 229.324 0.178 10 0 BCAERO CN1CCO[C@@H](C[NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000638570896 352398734 /nfs/dbraw/zinc/39/87/34/352398734.db2.gz IPXDZGRYXQTQKK-RNJOBUHISA-N 1 0 224.348 0.953 10 0 BCAERO Cn1cccc1C[NH2+]C1CCS(=O)(=O)CC1 ZINC000050595197 180731365 /nfs/dbraw/zinc/73/13/65/180731365.db2.gz JQIBVDZSNMTSSS-UHFFFAOYSA-N 1 0 242.344 0.692 10 0 BCAERO C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1NC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000638628070 352466506 /nfs/dbraw/zinc/46/65/06/352466506.db2.gz JTKJCVVMKMMYCR-RFHDDPBLSA-N 1 0 240.347 0.770 10 0 BCAERO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NC(=O)[C@@H]1CC[NH2+]C1 ZINC000638630156 352469411 /nfs/dbraw/zinc/46/94/11/352469411.db2.gz QQXYNBAFRQCWFR-FBDQPXRJSA-N 1 0 226.320 0.524 10 0 BCAERO C[C@H]([NH3+])CC(=O)N[C@@H]1[C@H](C)O[C@H](C)[C@H]1C ZINC000638631691 352471856 /nfs/dbraw/zinc/47/18/56/352471856.db2.gz WNYQDPSPICMQEA-VPWVSVFPSA-N 1 0 214.309 0.652 10 0 BCAERO CC(C)(C)OC(=O)N1C[C@H]2OC[C@H](C[NH3+])[C@H]2C1 ZINC000307373311 352472022 /nfs/dbraw/zinc/47/20/22/352472022.db2.gz SCNZIMGXJYWNJL-IVZWLZJFSA-N 1 0 242.319 0.827 10 0 BCAERO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NC(=O)[C@H]1CCC[NH2+]C1 ZINC000638630699 352473015 /nfs/dbraw/zinc/47/30/15/352473015.db2.gz SSEDUQFOVVVUGK-HHHUOAJASA-N 1 0 240.347 0.914 10 0 BCAERO CC(=O)N1C[C@H](C)OC2(CC[NH2+]CC2)C1 ZINC000725272612 538104323 /nfs/dbraw/zinc/10/43/23/538104323.db2.gz RNXOYWFMVLOYJC-VIFPVBQESA-N 1 0 212.293 0.376 10 0 BCAERO C[C@@H]1C(=O)NCCN1C(=[NH2+])NCc1ccccc1 ZINC000307387983 352547325 /nfs/dbraw/zinc/54/73/25/352547325.db2.gz NKBFFBANBBBQMA-SNVBAGLBSA-N 1 0 246.314 0.531 10 0 BCAERO C[C@H](O)[C@H](C)[N@@H+]1CC[C@@H](O)C(C)(C)C1 ZINC000307387308 352547423 /nfs/dbraw/zinc/54/74/23/352547423.db2.gz CKCLJRQGORPTPO-LPEHRKFASA-N 1 0 201.310 0.849 10 0 BCAERO CNS(=O)(=O)C[C@]12CC[NH2+][C@@H]1CCCC2 ZINC000725272198 538104003 /nfs/dbraw/zinc/10/40/03/538104003.db2.gz IGYUAPJJTAKOKN-ZJUUUORDSA-N 1 0 232.349 0.458 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)N1CCO[C@@H](CCF)C1 ZINC000638682879 352520175 /nfs/dbraw/zinc/52/01/75/352520175.db2.gz BDGMIKPKRWHFNK-WDEREUQCSA-N 1 0 246.326 0.947 10 0 BCAERO O=C([C@H]1CC[NH2+]C1)N1CCO[C@H](CCF)C1 ZINC000638684037 352522135 /nfs/dbraw/zinc/52/21/35/352522135.db2.gz OWRCSRROSDTQED-VHSXEESVSA-N 1 0 230.283 0.183 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N1CCO[C@@H](CCF)C1 ZINC000638684506 352522268 /nfs/dbraw/zinc/52/22/68/352522268.db2.gz SYDSLBUJWGMDHD-UWVGGRQHSA-N 1 0 232.299 0.701 10 0 BCAERO O=C(N[C@@H]1CO[C@@H](C2CC2)C1)[C@H]1CC[NH2+]C1 ZINC000638695477 352532625 /nfs/dbraw/zinc/53/26/25/352532625.db2.gz OIVJCDXSNGJLBH-GARJFASQSA-N 1 0 224.304 0.280 10 0 BCAERO C[C@H]1C[C@@H]([NH2+]C2CS(=O)(=O)C2)CS1 ZINC000307390287 352553860 /nfs/dbraw/zinc/55/38/60/352553860.db2.gz SCHHXIKGJCSEHE-NKWVEPMBSA-N 1 0 221.347 0.267 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)N[C@@H]2CC[NH2+][C@H](C)C2)O1 ZINC000300224401 352556894 /nfs/dbraw/zinc/55/68/94/352556894.db2.gz MSCRFHAALBKSIE-GWOFURMSSA-N 1 0 226.320 0.811 10 0 BCAERO NC(=S)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000307415444 352589521 /nfs/dbraw/zinc/58/95/21/352589521.db2.gz IUEBCFNAODKXNS-VIFPVBQESA-N 1 0 213.350 0.790 10 0 BCAERO CCc1nnc(NC(=O)[C@@H](C)[NH2+]C)s1 ZINC000232265462 352590656 /nfs/dbraw/zinc/59/06/56/352590656.db2.gz PLKFGKJKCZSCEA-RXMQYKEDSA-N 1 0 214.294 0.647 10 0 BCAERO CCC[C@H]([NH3+])C(=O)NCCNC(=O)C(C)C ZINC000040806712 352604497 /nfs/dbraw/zinc/60/44/97/352604497.db2.gz CARYAGVHSSIGQH-VIFPVBQESA-N 1 0 229.324 0.002 10 0 BCAERO C[N@H+](CC[C@@H](O)CO)Cc1ccccc1 ZINC000307450915 352607545 /nfs/dbraw/zinc/60/75/45/352607545.db2.gz QUAHJTKITARQPL-GFCCVEGCSA-N 1 0 209.289 0.862 10 0 BCAERO [NH3+]CC(=O)Nc1n[nH]cc1Br ZINC000307458995 352609481 /nfs/dbraw/zinc/60/94/81/352609481.db2.gz HEOTZKPUSBEPJN-UHFFFAOYSA-N 1 0 219.042 0.069 10 0 BCAERO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)[C@H]1CCCO1 ZINC000389853962 352567211 /nfs/dbraw/zinc/56/72/11/352567211.db2.gz YIBSHWHRYSJJAS-LPEHRKFASA-N 1 0 212.293 0.280 10 0 BCAERO C[C@H]([NH3+])C(=O)N1CC2(C1)CC(F)(F)C2 ZINC000307399467 352572092 /nfs/dbraw/zinc/57/20/92/352572092.db2.gz WSQIPHXEVRGUJJ-LURJTMIESA-N 1 0 204.220 0.591 10 0 BCAERO CC[C@@H]1C[C@H]1NC(=O)[C@@]1(COC)CCC[NH2+]1 ZINC000638723316 352576740 /nfs/dbraw/zinc/57/67/40/352576740.db2.gz HLROSNJUCWPRLU-FOGDFJRCSA-N 1 0 226.320 0.670 10 0 BCAERO CC(C)C[C@@H]([NH3+])C(=O)NCc1ccc[nH]c1=O ZINC000638725569 352579487 /nfs/dbraw/zinc/57/94/87/352579487.db2.gz IYZKNAPNABIWNG-SNVBAGLBSA-N 1 0 237.303 0.777 10 0 BCAERO NS(=O)(=O)C[C@@]12CC[NH2+][C@H]1CCCC2 ZINC000725273192 538104660 /nfs/dbraw/zinc/10/46/60/538104660.db2.gz WXXHUJSOAFDFRK-DTWKUNHWSA-N 1 0 218.322 0.197 10 0 BCAERO CO[C@@H]1CCN(C(=O)[C@H](C)[NH3+])[C@@H](C)C1 ZINC000300951865 352580788 /nfs/dbraw/zinc/58/07/88/352580788.db2.gz UIDZGAVSIBQOBZ-XHNCKOQMSA-N 1 0 200.282 0.360 10 0 BCAERO NS(=O)(=O)C[C@@]12CC[NH2+][C@@H]1CCCC2 ZINC000725273194 538104673 /nfs/dbraw/zinc/10/46/73/538104673.db2.gz WXXHUJSOAFDFRK-RKDXNWHRSA-N 1 0 218.322 0.197 10 0 BCAERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)NCc1ccc[nH]c1=O ZINC000638725051 352581856 /nfs/dbraw/zinc/58/18/56/352581856.db2.gz FHMCTHPZJIWKLE-GXSJLCMTSA-N 1 0 249.314 0.792 10 0 BCAERO C[C@]1(C(=O)NCc2ccc[nH]c2=O)CCCC[NH2+]1 ZINC000638724939 352582256 /nfs/dbraw/zinc/58/22/56/352582256.db2.gz DDPDDPLTORJJIS-CYBMUJFWSA-N 1 0 249.314 0.936 10 0 BCAERO CC[C@H]([NH3+])C(=O)N[C@@H]1CCOC[C@@H]1C ZINC000300993829 352582818 /nfs/dbraw/zinc/58/28/18/352582818.db2.gz JRGUMXJTUCGUEJ-XHNCKOQMSA-N 1 0 200.282 0.265 10 0 BCAERO COC1CN([C@]2(C[NH3+])CS[C@@H](C)C2)C1 ZINC000307533031 352639211 /nfs/dbraw/zinc/63/92/11/352639211.db2.gz HKUBGJIGODLMTE-WCBMZHEXSA-N 1 0 216.350 0.540 10 0 BCAERO COc1nccc(C(=O)C2C[NH2+]C2)c1F ZINC000307539399 352643629 /nfs/dbraw/zinc/64/36/29/352643629.db2.gz URVSMQRFWUUBLY-UHFFFAOYSA-N 1 0 210.208 0.631 10 0 BCAERO Cn1cc[nH+]c1NCC1([S@@](C)=O)CC1 ZINC000307540576 352644042 /nfs/dbraw/zinc/64/40/42/352644042.db2.gz WJEYZAFZZHZMRB-CQSZACIVSA-N 1 0 213.306 0.743 10 0 BCAERO Cc1nn(C)cc1C(=O)C1=CC[C@H]([NH3+])C1 ZINC000307540203 352644054 /nfs/dbraw/zinc/64/40/54/352644054.db2.gz VRYWTGIPYFNGGW-BDAKNGLRSA-N 1 0 205.261 0.815 10 0 BCAERO COC(=O)[C@H](C)NC(=[NH2+])NCc1ccccc1 ZINC000307542267 352645892 /nfs/dbraw/zinc/64/58/92/352645892.db2.gz PVVMLBHBYDPNQX-VIFPVBQESA-N 1 0 235.287 0.862 10 0 BCAERO CC(F)(F)CC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000307564777 352652644 /nfs/dbraw/zinc/65/26/44/352652644.db2.gz QOFOLCIZLBVMJH-BDINMYNLSA-N 1 0 204.220 0.366 10 0 BCAERO O=S1(=O)CCC[C@@H](C[NH2+]C2CCC2)C1 ZINC000307572146 352657360 /nfs/dbraw/zinc/65/73/60/352657360.db2.gz YJVKBKBZSKELPZ-VIFPVBQESA-N 1 0 217.334 0.953 10 0 BCAERO CC(C)[S@](=O)N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000307569092 352657820 /nfs/dbraw/zinc/65/78/20/352657820.db2.gz WXRMZJUFBJQWSI-RVBZMBCESA-N 1 0 202.323 0.210 10 0 BCAERO C[C@@H]1C[NH+]=C(S[C@H]2CCC[C@@H]2O)N1 ZINC000307588011 352662179 /nfs/dbraw/zinc/66/21/79/352662179.db2.gz VVOOROSKSYJNKU-CSMHCCOUSA-N 1 0 200.307 0.981 10 0 BCAERO COC(=O)c1ccc(NC[C@H](C)[NH3+])nc1C ZINC000133915362 352668202 /nfs/dbraw/zinc/66/82/02/352668202.db2.gz ZHBJRUUPYVAPBV-ZETCQYMHSA-N 1 0 223.276 0.936 10 0 BCAERO C[S@@](=O)CCNc1ccc(N)c(N)[nH+]1 ZINC000229162602 352620823 /nfs/dbraw/zinc/62/08/23/352620823.db2.gz ABHYLEJMCJAFRN-CQSZACIVSA-N 1 0 214.294 0.036 10 0 BCAERO C[S@](=O)CCNc1ccc(N)c(N)[nH+]1 ZINC000229162613 352620857 /nfs/dbraw/zinc/62/08/57/352620857.db2.gz ABHYLEJMCJAFRN-AWEZNQCLSA-N 1 0 214.294 0.036 10 0 BCAERO CC[C@H](C(N)=S)[N@@H+]1CCC[C@@H](O)[C@@H]1C ZINC000307493493 352624640 /nfs/dbraw/zinc/62/46/40/352624640.db2.gz APHAGTQQEVCWIW-DJLDLDEBSA-N 1 0 216.350 0.896 10 0 BCAERO C[C@H](NC(N)=S)C1CC[NH+](C)CC1 ZINC000307511180 352631785 /nfs/dbraw/zinc/63/17/85/352631785.db2.gz WRWJPJMGLQCAHO-ZETCQYMHSA-N 1 0 201.339 0.550 10 0 BCAERO C[C@@H]1C[NH2+]CC[C@@H]1C(=O)c1cn(C)cn1 ZINC000307526431 352634707 /nfs/dbraw/zinc/63/47/07/352634707.db2.gz IXXJBZJYWTZACT-BDAKNGLRSA-N 1 0 207.277 0.848 10 0 BCAERO COC[C@H]([NH3+])C(=O)N1CCCC2(CC2)CC1 ZINC000638757800 352691373 /nfs/dbraw/zinc/69/13/73/352691373.db2.gz ZSRVIMBSBRMGKR-JTQLQIEISA-N 1 0 226.320 0.753 10 0 BCAERO CC(C)[S@@](=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000307618293 352675685 /nfs/dbraw/zinc/67/56/85/352675685.db2.gz SXMZMWFKVFZKFR-JRKPZEMJSA-N 1 0 204.339 0.741 10 0 BCAERO CC(C)[S@@](=O)N1CC[NH2+]CC1(C)C ZINC000307619894 352679770 /nfs/dbraw/zinc/67/97/70/352679770.db2.gz ZTDWCFIMCQHWHC-CYBMUJFWSA-N 1 0 204.339 0.742 10 0 BCAERO C[C@@H]1[C@@]2(CC[C@H](C[NH3+])O2)CCS1(=O)=O ZINC000307672201 352751321 /nfs/dbraw/zinc/75/13/21/352751321.db2.gz WIXMYCGLWHATLI-IWSPIJDZSA-N 1 0 219.306 0.070 10 0 BCAERO Cn1cnnc1Sc1cc(C(N)=[NH2+])ccn1 ZINC000019863452 180797886 /nfs/dbraw/zinc/79/78/86/180797886.db2.gz GMUDNFDEZLZDKY-UHFFFAOYSA-N 1 0 234.288 0.645 10 0 BCAERO Cn1cnnc1[C@H](C[NH3+])c1ccccc1 ZINC000061609616 180798483 /nfs/dbraw/zinc/79/84/83/180798483.db2.gz DHGPGWWBNGVVEL-SNVBAGLBSA-N 1 0 202.261 0.906 10 0 BCAERO CO[C@H]1C[C@@H](CNC(=O)[C@H]2CCC[NH2+]C2)C1 ZINC000638808266 352984131 /nfs/dbraw/zinc/98/41/31/352984131.db2.gz MNRZDULEDSWTDP-GARJFASQSA-N 1 0 226.320 0.527 10 0 BCAERO C[C@@H]1SCC[C@H]1N1C[C@@H]([NH3+])CC1=O ZINC000306167490 352986801 /nfs/dbraw/zinc/98/68/01/352986801.db2.gz DBQHLSWEQIUKIO-BIIVOSGPSA-N 1 0 200.307 0.440 10 0 BCAERO CO[C@H]1C[C@@H](CNC(=O)[C@@H]2CC[NH2+]C2)C1 ZINC000638809673 352987365 /nfs/dbraw/zinc/98/73/65/352987365.db2.gz VPXSUTDDXWPNPY-BBBLOLIVSA-N 1 0 212.293 0.137 10 0 BCAERO C[C@]1(O)CC[NH2+]C[C@@H]1SC1COC1 ZINC000300953825 363200529 /nfs/dbraw/zinc/20/05/29/363200529.db2.gz ZZJKQUAZAOTZMN-IUCAKERBSA-N 1 0 203.307 0.231 10 0 BCAERO CC[S@@](=O)N1CCC(C)([NH2+]C)CC1 ZINC000306514755 353021030 /nfs/dbraw/zinc/02/10/30/353021030.db2.gz BGXYZHZNOOIHEG-CYBMUJFWSA-N 1 0 204.339 0.744 10 0 BCAERO [NH3+]Cc1cncnc1Sc1ncc[nH]1 ZINC000306649874 353031994 /nfs/dbraw/zinc/03/19/94/353031994.db2.gz FHUACVSZWLBMSX-UHFFFAOYSA-N 1 0 207.262 0.810 10 0 BCAERO CC1(C2CCN(CC[NH3+])CC2)OCCO1 ZINC000306669037 353033295 /nfs/dbraw/zinc/03/32/95/353033295.db2.gz KSOSDIBJMBBJDN-UHFFFAOYSA-N 1 0 214.309 0.420 10 0 BCAERO O=C1C[C@@H]([NH2+]CCOCc2ccccc2)CN1 ZINC000307702225 353002075 /nfs/dbraw/zinc/00/20/75/353002075.db2.gz OROPMKGGLPWVRJ-GFCCVEGCSA-N 1 0 234.299 0.681 10 0 BCAERO COCCN(CCOC)[C@H]1CCCC[C@@H]1[NH3+] ZINC000042442594 187947402 /nfs/dbraw/zinc/94/74/02/187947402.db2.gz PQDSBCPKDFMTAX-RYUDHWBXSA-N 1 0 230.352 0.851 10 0 BCAERO C[C@H]1[C@@H]([NH3+])CCN1C(=O)c1cnns1 ZINC000307701867 353002633 /nfs/dbraw/zinc/00/26/33/353002633.db2.gz SPKHRNIMVBMRSF-WDSKDSINSA-N 1 0 212.278 0.100 10 0 BCAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)c1cnns1 ZINC000307701865 353002818 /nfs/dbraw/zinc/00/28/18/353002818.db2.gz SPKHRNIMVBMRSF-PHDIDXHHSA-N 1 0 212.278 0.100 10 0 BCAERO CC[S@@](=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000306716418 353035928 /nfs/dbraw/zinc/03/59/28/353035928.db2.gz GBZRLWUOHJCXGG-NOZJJQNGSA-N 1 0 202.323 0.355 10 0 BCAERO O=C(N[C@H]1CCCC12CC2)[C@@H]1C[NH2+]CCOC1 ZINC000638832049 353012542 /nfs/dbraw/zinc/01/25/42/353012542.db2.gz DGJRPDAFHMQAOI-MNOVXSKESA-N 1 0 238.331 0.671 10 0 BCAERO C[C@H]1CN(C(=O)c2ccon2)C[C@@H]1C[NH3+] ZINC000638889418 353057879 /nfs/dbraw/zinc/05/78/79/353057879.db2.gz UXSZGOPZYLERRG-YUMQZZPRSA-N 1 0 209.249 0.341 10 0 BCAERO Cc1cc(C(=O)N2C[C@H](C)[C@H](C[NH3+])C2)[nH]n1 ZINC000638889317 353057918 /nfs/dbraw/zinc/05/79/18/353057918.db2.gz PXUVZNDKGHSMJE-IONNQARKSA-N 1 0 222.292 0.385 10 0 BCAERO CCOCCC(=O)N1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000638890499 353058691 /nfs/dbraw/zinc/05/86/91/353058691.db2.gz SJBUXUAOBLDDMQ-ZJUUUORDSA-N 1 0 214.309 0.466 10 0 BCAERO Cc1cc(C(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)no1 ZINC000638890661 353058724 /nfs/dbraw/zinc/05/87/24/353058724.db2.gz XNMNPMWUHTUCDD-VXNVDRBHSA-N 1 0 223.276 0.650 10 0 BCAERO COC[C@H](C)CC(=O)N1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000638890263 353058797 /nfs/dbraw/zinc/05/87/97/353058797.db2.gz DHNRFUMGUKRRHR-MXWKQRLJSA-N 1 0 228.336 0.712 10 0 BCAERO COCC1(CC(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)CC1 ZINC000638900833 353063031 /nfs/dbraw/zinc/06/30/31/353063031.db2.gz HPWGEDQYOSAJTP-GHMZBOCLSA-N 1 0 240.347 0.856 10 0 BCAERO C[C@@H]1CN(C(=O)[C@@H]2CC23CC3)C[C@H]1C[NH3+] ZINC000638902449 353063681 /nfs/dbraw/zinc/06/36/81/353063681.db2.gz MIIYGSGGHSWNKA-BBBLOLIVSA-N 1 0 208.305 0.840 10 0 BCAERO CO[C@H](C(=O)N1C[C@H](C)[C@H](C[NH3+])C1)C1CCC1 ZINC000638902649 353063819 /nfs/dbraw/zinc/06/38/19/353063819.db2.gz LISWFVMUQLHBHT-WCQGTBRESA-N 1 0 240.347 0.855 10 0 BCAERO C[C@@H](C(N)=S)[N@H+](C)[C@@H]1CCN(C)C1 ZINC000307316951 353068151 /nfs/dbraw/zinc/06/81/51/353068151.db2.gz NZTONSNVKMFLFB-JGVFFNPUSA-N 1 0 201.339 0.297 10 0 BCAERO Cc1nnsc1CNC(=O)C(C)(C)[NH3+] ZINC000307402701 353073983 /nfs/dbraw/zinc/07/39/83/353073983.db2.gz BWIOSMGNWGNPJX-UHFFFAOYSA-N 1 0 214.294 0.200 10 0 BCAERO C[C@H]1OCC[C@H]1[NH2+]C[C@@H](O)COC(C)(C)C ZINC000226437450 259433012 /nfs/dbraw/zinc/43/30/12/259433012.db2.gz SSLGXVKAQACWLY-GMTAPVOTSA-N 1 0 231.336 0.929 10 0 BCAERO C=C(Cl)C(=O)NC1CC[NH+](C)CC1 ZINC000306983794 353048834 /nfs/dbraw/zinc/04/88/34/353048834.db2.gz LDGSCKDIVOEHQC-UHFFFAOYSA-N 1 0 202.685 0.949 10 0 BCAERO C[C@H]1CN(C(=O)c2ccnn2C)C[C@@H]1C[NH3+] ZINC000638887568 353049281 /nfs/dbraw/zinc/04/92/81/353049281.db2.gz FSNFAPASIPDMIH-IUCAKERBSA-N 1 0 222.292 0.087 10 0 BCAERO C[C@@H]1CN(C(=O)[C@@H]2CCCO2)C[C@@H]1C[NH3+] ZINC000638887509 353049450 /nfs/dbraw/zinc/04/94/50/353049450.db2.gz VOVWJQVUDPWJJU-UTLUCORTSA-N 1 0 212.293 0.219 10 0 BCAERO Cc1cnc(C(=O)N2C[C@H](C)[C@@H](C[NH3+])C2)cn1 ZINC000638888887 353050212 /nfs/dbraw/zinc/05/02/12/353050212.db2.gz BCFSTCFXBULFIX-WPRPVWTQSA-N 1 0 234.303 0.452 10 0 BCAERO C[C@@H]1CN(C(=O)c2ccco2)C[C@@H]1C[NH3+] ZINC000638889031 353050263 /nfs/dbraw/zinc/05/02/63/353050263.db2.gz ZRRBPIQQBIMGEY-BDAKNGLRSA-N 1 0 208.261 0.946 10 0 BCAERO C[C@@H]1CN(C(=O)C[C@@H]2CCCO2)C[C@H]1C[NH3+] ZINC000638884773 353052197 /nfs/dbraw/zinc/05/21/97/353052197.db2.gz JQRRTSUCVJCLKX-MXWKQRLJSA-N 1 0 226.320 0.609 10 0 BCAERO COCCC(=O)N1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000638885666 353052562 /nfs/dbraw/zinc/05/25/62/353052562.db2.gz DLVGQBVNLIJMIM-BDAKNGLRSA-N 1 0 200.282 0.076 10 0 BCAERO C[C@@H]1CN(C(=O)c2ccoc2)C[C@H]1C[NH3+] ZINC000638885396 353052576 /nfs/dbraw/zinc/05/25/76/353052576.db2.gz CPDCCLZIARQTQI-PSASIEDQSA-N 1 0 208.261 0.946 10 0 BCAERO C[C@@H]1CN(C(=O)c2cc[nH]n2)C[C@H]1C[NH3+] ZINC000638887070 353054028 /nfs/dbraw/zinc/05/40/28/353054028.db2.gz CRNAAZFFJWFCTP-HTQZYQBOSA-N 1 0 208.265 0.077 10 0 BCAERO C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1C[NH3+] ZINC000638895016 353056045 /nfs/dbraw/zinc/05/60/45/353056045.db2.gz QSJDCYYBXCDVEE-PWSUYJOCSA-N 1 0 239.363 0.381 10 0 BCAERO C[C@H]1CN(C(=O)[C@@H]2CCCO2)C[C@@H]1C[NH3+] ZINC000638895981 353056685 /nfs/dbraw/zinc/05/66/85/353056685.db2.gz VOVWJQVUDPWJJU-GUBZILKMSA-N 1 0 212.293 0.219 10 0 BCAERO C[C@H]1CN(C(=O)[C@H]2CCCO2)C[C@@H]1C[NH3+] ZINC000638896016 353056694 /nfs/dbraw/zinc/05/66/94/353056694.db2.gz VOVWJQVUDPWJJU-LPEHRKFASA-N 1 0 212.293 0.219 10 0 BCAERO C[C@H]1CN(C(=O)c2cn(C)cn2)C[C@H]1C[NH3+] ZINC000638896524 353057358 /nfs/dbraw/zinc/05/73/58/353057358.db2.gz WWEYNQBIXXQXEK-DTWKUNHWSA-N 1 0 222.292 0.087 10 0 BCAERO C[C@H]1CN(C(=O)CCn2ccnc2)C[C@H]1C[NH3+] ZINC000638896464 353057553 /nfs/dbraw/zinc/05/75/53/353057553.db2.gz ZGGUTGKCKKMKAZ-WDEREUQCSA-N 1 0 236.319 0.326 10 0 BCAERO C[C@H]1CN(C(=O)c2cscn2)C[C@H]1C[NH3+] ZINC000638896543 353057602 /nfs/dbraw/zinc/05/76/02/353057602.db2.gz ZQICXQOYODMNIF-JGVFFNPUSA-N 1 0 225.317 0.810 10 0 BCAERO C/C=C/C[C@@]1(C[NH3+])CCS(=O)(=O)C1 ZINC000307713955 353107527 /nfs/dbraw/zinc/10/75/27/353107527.db2.gz CVRLZOXVYSFTOV-HPOULIHZSA-N 1 0 203.307 0.716 10 0 BCAERO CN(C(=O)C(F)(F)F)[C@]1(C)CC[NH2+]C1 ZINC000307721971 353110726 /nfs/dbraw/zinc/11/07/26/353110726.db2.gz RJTRCAZURSLFGD-SSDOTTSWSA-N 1 0 210.199 0.759 10 0 BCAERO [NH3+][C@@H]1CCCN1[S@](=O)C1CCCC1 ZINC000307738582 353122375 /nfs/dbraw/zinc/12/23/75/353122375.db2.gz XAZSLUVZFMKWOF-TVQRCGJNSA-N 1 0 202.323 0.973 10 0 BCAERO CC(C)([NH3+])c1noc([C@H]2COCCO2)n1 ZINC000055305593 188008750 /nfs/dbraw/zinc/00/87/50/188008750.db2.gz KUKIUTIJJKVTSS-ZCFIWIBFSA-N 1 0 213.237 0.351 10 0 BCAERO CC(C)(O)CN1CC[NH+](CC2(O)CCC2)CC1 ZINC000336720160 188012658 /nfs/dbraw/zinc/01/26/58/188012658.db2.gz YGSJBUCMPPPBOB-UHFFFAOYSA-N 1 0 242.363 0.290 10 0 BCAERO C[NH2+]CC(=O)N[C@H]1CCOC(C)(C)C1 ZINC000215645103 353126060 /nfs/dbraw/zinc/12/60/60/353126060.db2.gz MTETWFWIRKNGQH-QMMMGPOBSA-N 1 0 200.282 0.280 10 0 BCAERO CN1CCN([C@@H](C[NH3+])C(F)(F)F)C1=O ZINC000052885424 353126714 /nfs/dbraw/zinc/12/67/14/353126714.db2.gz MFEJYKSJIZZKFM-YFKPBYRVSA-N 1 0 211.187 0.243 10 0 BCAERO CC(C)([NH3+])CO[C@@H]1CCCCNC1=O ZINC000232573789 353136370 /nfs/dbraw/zinc/13/63/70/353136370.db2.gz YUGFITAPEKPUJF-MRVPVSSYSA-N 1 0 200.282 0.409 10 0 BCAERO Cn1nccc1NC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054292216 180849499 /nfs/dbraw/zinc/84/94/99/180849499.db2.gz KEGANZVBEFUKAP-VIFPVBQESA-N 1 0 222.292 0.748 10 0 BCAERO Cn1ccs/c1=N\C(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000163227799 188048909 /nfs/dbraw/zinc/04/89/09/188048909.db2.gz SZHBMSZDUWFNPO-YDHDDKBESA-N 1 0 225.317 0.641 10 0 BCAERO CC(C)COC[C@H](O)CNC(=O)[C@@H]([NH3+])C(C)C ZINC000182402516 188049325 /nfs/dbraw/zinc/04/93/25/188049325.db2.gz NECOGECQLGRKJI-MNOVXSKESA-N 1 0 246.351 0.119 10 0 BCAERO CN(C(=O)Cc1noc2ccccc12)C1C[NH2+]C1 ZINC000090289702 188049553 /nfs/dbraw/zinc/04/95/53/188049553.db2.gz CNAPDDGZXAVWET-UHFFFAOYSA-N 1 0 245.282 0.801 10 0 BCAERO C[C@@H]1C[C@@H](NC(=O)[C@@H]2CC[NH2+]C2)[C@H](C)O1 ZINC000638944053 353144815 /nfs/dbraw/zinc/14/48/15/353144815.db2.gz NXXBRRKNAURMDU-UTINFBMNSA-N 1 0 212.293 0.278 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)c1cccnc1N ZINC000226379383 353173745 /nfs/dbraw/zinc/17/37/45/353173745.db2.gz YUGRAHAZVXFXEV-VXNVDRBHSA-N 1 0 205.261 0.702 10 0 BCAERO CC(C)COC[C@@H](O)C[NH2+][C@@H]1CCO[C@@H]1C ZINC000120442643 323985230 /nfs/dbraw/zinc/98/52/30/323985230.db2.gz RVLZKCVDOMYZCS-GRYCIOLGSA-N 1 0 231.336 0.787 10 0 BCAERO C[C@H]1C[C@H](C[NH3+])CN1C(=O)[C@@H]1CCCO1 ZINC000122451260 324048166 /nfs/dbraw/zinc/04/81/66/324048166.db2.gz VUUKJFJJJUJBCM-AEJSXWLSSA-N 1 0 212.293 0.361 10 0 BCAERO Cc1c(-c2ccnc(NCCC[NH3+])n2)cnn1C ZINC000002538558 188275012 /nfs/dbraw/zinc/27/50/12/188275012.db2.gz YTWCREOOFGABSR-UHFFFAOYSA-N 1 0 246.318 0.946 10 0 BCAERO [NH3+]Cc1ccccc1O[C@@H]1CCOC1=O ZINC000037698968 188282069 /nfs/dbraw/zinc/28/20/69/188282069.db2.gz HVKUFGGUORHBSB-SNVBAGLBSA-N 1 0 207.229 0.840 10 0 BCAERO COC[C@H]([NH3+])C(=O)NC[C@@H]1CCCC[C@H]1C ZINC000252150716 353297173 /nfs/dbraw/zinc/29/71/73/353297173.db2.gz MLTPHXSCQMOMST-VWYCJHECSA-N 1 0 228.336 0.903 10 0 BCAERO C([NH2+]C[C@H]1COCCO1)[C@H]1CCOC1 ZINC000038060507 188282911 /nfs/dbraw/zinc/28/29/11/188282911.db2.gz IAXPAYJOHMWVGA-ZJUUUORDSA-N 1 0 201.266 0.028 10 0 BCAERO CC(C)CNC(=O)[C@H](C)[NH2+]C[C@@H]1CCCO1 ZINC000034937556 188284622 /nfs/dbraw/zinc/28/46/22/188284622.db2.gz GONXZKLCYWKQOQ-QWRGUYRKSA-N 1 0 228.336 0.916 10 0 BCAERO C[C@H](C(=O)N(C)[C@@H](C)C1CC1)N1CC[NH2+]CC1 ZINC000036786258 188285982 /nfs/dbraw/zinc/28/59/82/188285982.db2.gz CHFUVJCHPFZOQL-WDEREUQCSA-N 1 0 239.363 0.537 10 0 BCAERO COc1ccc(OCC(=O)N(C)C)c(C[NH3+])c1 ZINC000037094208 188286668 /nfs/dbraw/zinc/28/66/68/188286668.db2.gz WQSOLZMDFTZVKA-UHFFFAOYSA-N 1 0 238.287 0.621 10 0 BCAERO CC(=O)N1CCN([C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000037157996 188287490 /nfs/dbraw/zinc/28/74/90/188287490.db2.gz BBVNWPKOKMNMHN-VXGBXAGGSA-N 1 0 225.336 0.278 10 0 BCAERO CC(C)C[C@H](C)OC[C@H](O)C[NH2+]CCC(N)=O ZINC000037891602 188288961 /nfs/dbraw/zinc/28/89/61/188288961.db2.gz LMTVWUSJDAZDBS-WDEREUQCSA-N 1 0 246.351 0.264 10 0 BCAERO CC(C)[C@H]([NH3+])C(=O)N1CCCC[C@H]1CCO ZINC000040458622 188291590 /nfs/dbraw/zinc/29/15/90/188291590.db2.gz AUJFTAFCVAVCIM-QWRGUYRKSA-N 1 0 228.336 0.733 10 0 BCAERO CC(C)(C)OC(=O)CN1CCC[C@H]([NH3+])C1 ZINC000041029356 188292741 /nfs/dbraw/zinc/29/27/41/188292741.db2.gz SJSMJCVECREGOZ-VIFPVBQESA-N 1 0 214.309 0.751 10 0 BCAERO C[C@@H]1CN(C(=O)c2c[nH]cn2)[C@@H](C)C[NH2+]1 ZINC000084377665 188297309 /nfs/dbraw/zinc/29/73/09/188297309.db2.gz XVTLXNPPSMTSGU-SFYZADRCSA-N 1 0 208.265 0.232 10 0 BCAERO CC1(C)N(O)c2cc(Cl)ccc2[N+]1=O ZINC000045244955 188297476 /nfs/dbraw/zinc/29/74/76/188297476.db2.gz MDUYHZLOSHWJKY-UHFFFAOYSA-N 1 0 212.636 0.068 10 0 BCAERO CC1(C)C[C@@H]1NC(=O)[C@H]1CSCN1 ZINC000045136416 188298053 /nfs/dbraw/zinc/29/80/53/188298053.db2.gz BOWWIYGFUFDZJS-RQJHMYQMSA-N 1 0 200.307 0.564 10 0 BCAERO CC(C)N(CCO)C(=O)[C@H]1CC[C@@H]([NH3+])C[C@H]1C ZINC000055128030 188300502 /nfs/dbraw/zinc/30/05/02/188300502.db2.gz DXFNXBKPPDPMJR-UTUOFQBUSA-N 1 0 242.363 0.979 10 0 BCAERO CC(C)N(CCO)C(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000055087391 188300644 /nfs/dbraw/zinc/30/06/44/188300644.db2.gz WMPZSTMJXUWAAW-MNOVXSKESA-N 1 0 228.336 0.733 10 0 BCAERO CC(C)N(CC[NH3+])c1nnnn1-c1ccccc1 ZINC000053706337 188300756 /nfs/dbraw/zinc/30/07/56/188300756.db2.gz CEXNSVKPOMYUNK-UHFFFAOYSA-N 1 0 246.318 0.836 10 0 BCAERO COc1ccc(N)cc1C[N@@H+]1CC[C@H](O)C1 ZINC000061709671 188302500 /nfs/dbraw/zinc/30/25/00/188302500.db2.gz FCPUWGFOIYOKTB-NSHDSACASA-N 1 0 222.288 0.844 10 0 BCAERO C[C@H]1CN[C@H](C(=O)N(C)C2CCCCC2)C[NH2+]1 ZINC000062813969 188302890 /nfs/dbraw/zinc/30/28/90/188302890.db2.gz QAWQMJFCTXKAJR-JQWIXIFHSA-N 1 0 239.363 0.727 10 0 BCAERO C[C@H]1CN[C@@H](C(=O)N2CCC(C)(C)CC2)C[NH2+]1 ZINC000062815693 188303131 /nfs/dbraw/zinc/30/31/31/188303131.db2.gz VDAAKKDNKZYDNX-WDEREUQCSA-N 1 0 239.363 0.585 10 0 BCAERO CC(C)[NH+]1CCN(CCn2ccc(N)n2)CC1 ZINC000071377922 188305472 /nfs/dbraw/zinc/30/54/72/188305472.db2.gz RELUTNYMXAFQGI-UHFFFAOYSA-N 1 0 237.351 0.491 10 0 BCAERO CC(=O)N(CC[NH+](C)C)c1ccc(N)nc1 ZINC000090502575 188318482 /nfs/dbraw/zinc/31/84/82/188318482.db2.gz OXRBOVXQLHLLTE-UHFFFAOYSA-N 1 0 222.292 0.578 10 0 BCAERO CCC[N@H+](C[C@@H](N)C(=O)OCC)C(C)C ZINC000045385644 188326461 /nfs/dbraw/zinc/32/64/61/188326461.db2.gz PBMVIWAGDWRTFZ-SNVBAGLBSA-N 1 0 216.325 0.997 10 0 BCAERO CC(C)N(C)S(=O)(=O)C[C@H]1CCCC[NH2+]1 ZINC000049630581 188327321 /nfs/dbraw/zinc/32/73/21/188327321.db2.gz FDEXSPXVUSPNJK-SNVBAGLBSA-N 1 0 234.365 0.799 10 0 BCAERO CCN1CCN(C(=O)[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000055086488 353346352 /nfs/dbraw/zinc/34/63/52/353346352.db2.gz NKMWOPPKMHIOCY-NWDGAFQWSA-N 1 0 239.363 0.668 10 0 BCAERO COCCN(CC[NH3+])C(=O)C(C)(C)C ZINC000122870980 538115594 /nfs/dbraw/zinc/11/55/94/538115594.db2.gz IEMWZPCTBATASQ-UHFFFAOYSA-N 1 0 202.298 0.466 10 0 BCAERO CC(=[NH2+])NCCCCC[C@H]([NH3+])C(=O)[O-] ZINC000013739740 188342690 /nfs/dbraw/zinc/34/26/90/188342690.db2.gz CQIZIZXOTXHJNR-QMMMGPOBSA-N 1 0 201.270 0.545 10 0 BCAERO OC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(F)cc1 ZINC000179170213 188343885 /nfs/dbraw/zinc/34/38/85/188343885.db2.gz YSOMVVJDTYFZQZ-VXGBXAGGSA-N 1 0 225.263 0.753 10 0 BCAERO OC[C@H]1C[C@@H](O)C[N@@H+]1CCOc1ccccc1 ZINC000179177229 188343947 /nfs/dbraw/zinc/34/39/47/188343947.db2.gz ICLRDNXEACGUON-VXGBXAGGSA-N 1 0 237.299 0.493 10 0 BCAERO CC(C)(C)OC(=O)N1CCC[C@@H](O)[C@@H]1C[NH3+] ZINC000082347439 188350868 /nfs/dbraw/zinc/35/08/68/188350868.db2.gz OKXZTDVSRDJFQP-DTWKUNHWSA-N 1 0 230.308 0.706 10 0 BCAERO CCc1nccn1-c1nccnc1C[NH3+] ZINC000054378307 188354216 /nfs/dbraw/zinc/35/42/16/188354216.db2.gz UDLYCEJUULARJY-UHFFFAOYSA-N 1 0 203.249 0.683 10 0 BCAERO Cc1nnc(Sc2nccnc2C[NH3+])o1 ZINC000054378870 188354686 /nfs/dbraw/zinc/35/46/86/188354686.db2.gz VCTLSXHOALZXBI-UHFFFAOYSA-N 1 0 223.261 0.778 10 0 BCAERO O=C(NC(C1CC1)C1CC1)[C@@H]1CC[NH2+]C1 ZINC000062115956 188360238 /nfs/dbraw/zinc/36/02/38/188360238.db2.gz JGBYPXIXOMFODM-SNVBAGLBSA-N 1 0 208.305 0.901 10 0 BCAERO Cc1cc(N2CCO[C@H]([C@@H](C)[NH3+])C2)c(C#N)cn1 ZINC000398971711 353400640 /nfs/dbraw/zinc/40/06/40/353400640.db2.gz AOANDLMWOXVMGF-MFKMUULPSA-N 1 0 246.314 0.814 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)NCC(F)(F)C(F)F ZINC000230694678 353522737 /nfs/dbraw/zinc/52/27/37/353522737.db2.gz SSDJHCBRDRMYAF-PHDIDXHHSA-N 1 0 242.216 0.859 10 0 BCAERO CN(C(=O)[C@H]1COCCO1)[C@H]1CCC[NH2+]CC1 ZINC000231475535 353606690 /nfs/dbraw/zinc/60/66/90/353606690.db2.gz ZRCZWWDXXJNPLM-WDEREUQCSA-N 1 0 242.319 0.002 10 0 BCAERO CC(C)([NH3+])C(=O)N[C@@]1(C)CCCOC1 ZINC000232526997 353731190 /nfs/dbraw/zinc/73/11/90/353731190.db2.gz OSWSMDFORAMELI-JTQLQIEISA-N 1 0 200.282 0.409 10 0 BCAERO Cn1c2ccccc2nc1N1CCO[C@H](C[NH3+])C1 ZINC000165841354 353739062 /nfs/dbraw/zinc/73/90/62/353739062.db2.gz UNLIXENTTLEEGB-SNVBAGLBSA-N 1 0 246.314 0.737 10 0 BCAERO CC[N@H+](CCC(=O)OC)C[C@H]1CCC[NH2+]C1 ZINC000220366757 353837345 /nfs/dbraw/zinc/83/73/45/353837345.db2.gz ZRGJMXXPZXBMEC-NSHDSACASA-N 1 0 228.336 0.871 10 0 BCAERO CN1C(=O)N(c2cccnc2)[C@@H]2C[NH2+]CC[C@H]21 ZINC000606303660 353860610 /nfs/dbraw/zinc/86/06/10/353860610.db2.gz YNLJOSBUQXQREX-GHMZBOCLSA-N 1 0 232.287 0.684 10 0 BCAERO CCC1(C(=O)NC[C@H]2C[NH2+]C[C@H]2O)CCCC1 ZINC000262087642 535248296 /nfs/dbraw/zinc/24/82/96/535248296.db2.gz CTACQYOPRSGYHT-GHMZBOCLSA-N 1 0 240.347 0.653 10 0 BCAERO COC(C)(C)CC[N@@H+]1CCO[C@H](CO)C1 ZINC000230415988 363310507 /nfs/dbraw/zinc/31/05/07/363310507.db2.gz VKWXQQGWMWLBHC-JTQLQIEISA-N 1 0 217.309 0.495 10 0 BCAERO CO[C@@H]1C[C@H](CO)[N@H+](Cc2cnn(C)c2C)C1 ZINC000344027067 354089092 /nfs/dbraw/zinc/08/90/92/354089092.db2.gz HELPHUSZILOGOW-VXGBXAGGSA-N 1 0 239.319 0.310 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N1C[C@H](C)OC[C@H]1C ZINC000232013894 363360872 /nfs/dbraw/zinc/36/08/72/363360872.db2.gz FPXXSHUHHHADSX-UTLUCORTSA-N 1 0 214.309 0.750 10 0 BCAERO COC(=O)c1sc(CC[NH3+])nc1C ZINC000004226977 354336345 /nfs/dbraw/zinc/33/63/45/354336345.db2.gz FWPWHVDJCDWGCG-UHFFFAOYSA-N 1 0 200.263 0.739 10 0 BCAERO Cc1cn[nH]c1C[N@@H+]1C[C@@H](C)C[C@H](O)C1 ZINC000334735887 354537048 /nfs/dbraw/zinc/53/70/48/354537048.db2.gz UNDWNTHOJYKEIR-WPRPVWTQSA-N 1 0 209.293 0.921 10 0 BCAERO CC[C@@H](CO)N(C)Cc1nnc(C)n1CC ZINC000345876293 354794012 /nfs/dbraw/zinc/79/40/12/354794012.db2.gz ASZWGWJSIHORIR-JTQLQIEISA-N 1 0 226.324 0.809 10 0 BCAERO C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@@H](C)O1 ZINC000346535252 354979344 /nfs/dbraw/zinc/97/93/44/354979344.db2.gz ZSWCEQFXPWATCM-MXWKQRLJSA-N 1 0 226.320 0.716 10 0 BCAERO CO[C@]1(C[N@@H+]2C[C@@H](C)C[C@H](O)C2)CCOC1 ZINC000639241633 355226969 /nfs/dbraw/zinc/22/69/69/355226969.db2.gz KXHVWGMJRHVPMH-SRVKXCTJSA-N 1 0 229.320 0.495 10 0 BCAERO C[C@@H]1CN(C(=O)[C@H]2CC23CCOCC3)C[C@H]1[NH3+] ZINC000583499207 355332423 /nfs/dbraw/zinc/33/24/23/355332423.db2.gz WICKRKAKMPCGOV-GMTAPVOTSA-N 1 0 238.331 0.609 10 0 BCAERO N#Cc1cnccc1N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000399090512 355358300 /nfs/dbraw/zinc/35/83/00/355358300.db2.gz TUNVYRWNTXZZEY-GXSJLCMTSA-N 1 0 216.288 0.914 10 0 BCAERO NC(=[NH2+])Nc1ccc([C@H]([NH3+])P(=O)([O-])[O-])cc1 ZINC000096927713 181190702 /nfs/dbraw/zinc/19/07/02/181190702.db2.gz BSLYPYFABFFNHY-SSDOTTSWSA-N 1 0 244.191 0.127 10 0 in-vitro BCAERO NC(=[NH2+])SCc1ncnc2[nH]cnc21 ZINC000001607313 181192805 /nfs/dbraw/zinc/19/28/05/181192805.db2.gz DNTDOUMPIFCXMP-UHFFFAOYSA-N 1 0 208.250 0.480 10 0 BCAERO NC(=[NH2+])c1ccc(OC[C@H]2CCCO2)nc1 ZINC000019508617 181195113 /nfs/dbraw/zinc/19/51/13/181195113.db2.gz WLPLRCBIJVEEKQ-SECBINFHSA-N 1 0 221.260 0.923 10 0 BCAERO NC(=[NH2+])c1cccnc1OC[C@H]1CCCO1 ZINC000019479830 181195986 /nfs/dbraw/zinc/19/59/86/181195986.db2.gz ONVZYZDZJGLETB-MRVPVSSYSA-N 1 0 221.260 0.923 10 0 BCAERO COC[C@H]([NH3+])[C@@H]1CCc2occc2C1=O ZINC000166481071 355530032 /nfs/dbraw/zinc/53/00/32/355530032.db2.gz VPSKUIZMZRHAAV-CBAPKCEASA-N 1 0 209.245 0.998 10 0 BCAERO COC[C@H]([NH3+])[C@H]1CCc2occc2C1=O ZINC000166481304 355530071 /nfs/dbraw/zinc/53/00/71/355530071.db2.gz VPSKUIZMZRHAAV-APPZFPTMSA-N 1 0 209.245 0.998 10 0 BCAERO NC(=[NH2+])c1ccccc1Cn1cncn1 ZINC000019427794 181196568 /nfs/dbraw/zinc/19/65/68/181196568.db2.gz DZGNAEUHLOLCHH-UHFFFAOYSA-N 1 0 201.233 0.610 10 0 BCAERO OC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccncc1 ZINC000350230056 355653680 /nfs/dbraw/zinc/65/36/80/355653680.db2.gz WYYMFCFRTMZFHB-GHMZBOCLSA-N 1 0 208.261 0.009 10 0 BCAERO CC[C@@](C)(C[NH2+][C@@H]1CCNC1=O)OC ZINC000639304298 355659024 /nfs/dbraw/zinc/65/90/24/355659024.db2.gz XJRXHIYIUCQQAZ-SCZZXKLOSA-N 1 0 200.282 0.280 10 0 BCAERO CN1C[C@H](C[NH2+]CCC2CCOCC2)CC1=O ZINC000639322841 355713775 /nfs/dbraw/zinc/71/37/75/355713775.db2.gz XXCUBOCMTWCLOD-LBPRGKRZSA-N 1 0 240.347 0.871 10 0 BCAERO CC[C@@](C)(C[NH2+]C[C@@H]1CC(=O)N(C)C1)OC ZINC000639319545 355719893 /nfs/dbraw/zinc/71/98/93/355719893.db2.gz DMBHWAZKVWLNAL-JQWIXIFHSA-N 1 0 228.336 0.869 10 0 BCAERO CC[C@@](C)(C[NH2+]C[C@H]1CC(=O)N(C)C1)OC ZINC000639319546 355720008 /nfs/dbraw/zinc/72/00/08/355720008.db2.gz DMBHWAZKVWLNAL-PWSUYJOCSA-N 1 0 228.336 0.869 10 0 BCAERO C[NH2+]CCN(C)Cc1c(C)nn(C)c1OC ZINC000166661157 355739893 /nfs/dbraw/zinc/73/98/93/355739893.db2.gz IPHINKUJZIPARA-UHFFFAOYSA-N 1 0 226.324 0.388 10 0 BCAERO COC(=O)C[C@H]([NH3+])c1ccc(OC)nc1 ZINC000033992456 355774631 /nfs/dbraw/zinc/77/46/31/355774631.db2.gz AJKJBTXMRIJSRV-QMMMGPOBSA-N 1 0 210.233 0.653 10 0 BCAERO CCC[C@H](C[NH2+][C@H]1CCOC[C@H]1O)OC ZINC000639354123 355803467 /nfs/dbraw/zinc/80/34/67/355803467.db2.gz DKPJDEIWNQNMHN-OUAUKWLOSA-N 1 0 217.309 0.541 10 0 BCAERO COc1ncc(C[NH2+][C@H]2CCOC[C@@H]2O)s1 ZINC000639354493 355804847 /nfs/dbraw/zinc/80/48/47/355804847.db2.gz IBGLPEFGIYWYTL-IUCAKERBSA-N 1 0 244.316 0.391 10 0 BCAERO COCC1(C[NH2+][C@H]2CCOC[C@H]2O)CCC1 ZINC000639355209 355809035 /nfs/dbraw/zinc/80/90/35/355809035.db2.gz QPTNWTZUBNPEHD-WDEREUQCSA-N 1 0 229.320 0.543 10 0 BCAERO O[C@H]1COCC[C@@H]1[NH2+]CCC1CCOCC1 ZINC000639355600 355809863 /nfs/dbraw/zinc/80/98/63/355809863.db2.gz WDISSDVEMYEVRI-RYUDHWBXSA-N 1 0 229.320 0.543 10 0 BCAERO NC(=O)C1(N2CC[NH2+]CC2)CCCCCC1 ZINC000037945679 181214017 /nfs/dbraw/zinc/21/40/17/181214017.db2.gz VIKOPGYHJMTHSM-UHFFFAOYSA-N 1 0 225.336 0.470 10 0 BCAERO NC(=O)C1(N2CCC[NH2+]CC2)CCCCCC1 ZINC000037943804 181214177 /nfs/dbraw/zinc/21/41/77/181214177.db2.gz BWBALUVHJPNNKW-UHFFFAOYSA-N 1 0 239.363 0.860 10 0 BCAERO C[C@H]([C@H](C)O)[N@H+](C)[C@@H]1CCCN(C)C1 ZINC000053247772 355868900 /nfs/dbraw/zinc/86/89/00/355868900.db2.gz GIOFXPBRIHXQSH-OUAUKWLOSA-N 1 0 200.326 0.782 10 0 BCAERO NC(=O)C1CCC([NH2+][C@H]2CCCC[C@@H]2O)CC1 ZINC000038091879 181216538 /nfs/dbraw/zinc/21/65/38/181216538.db2.gz HVSDGJHNMLRYJP-QQFIATSDSA-N 1 0 240.347 0.924 10 0 BCAERO CN1CCC[C@@H]([N@H+](C)CC(C)(C)O)C1 ZINC000053246914 355869856 /nfs/dbraw/zinc/86/98/56/355869856.db2.gz YMTUECPLQLAGTN-SNVBAGLBSA-N 1 0 200.326 0.783 10 0 BCAERO NC(=O)C1CCC([NH2+]C[C@@H]2CCCO2)CC1 ZINC000038092046 181216143 /nfs/dbraw/zinc/21/61/43/181216143.db2.gz XLTCMYSAPQKKFY-ILDUYXDCSA-N 1 0 226.320 0.799 10 0 BCAERO CC[N@@H+]1CC[C@H](Nc2nccc(OC)n2)C1 ZINC000389236061 355933635 /nfs/dbraw/zinc/93/36/35/355933635.db2.gz BZZGVDDOSULVTN-VIFPVBQESA-N 1 0 222.292 0.991 10 0 BCAERO NC(=O)C1CCN([C@H]2CCC[C@H]2[NH3+])CC1 ZINC000040431151 181217996 /nfs/dbraw/zinc/21/79/96/181217996.db2.gz MHPQGWMFHPHOEA-ZJUUUORDSA-N 1 0 211.309 0.064 10 0 BCAERO CC[N@@H+]1CC[C@H](Nc2ncnc3c2cnn3C)C1 ZINC000389284968 355946134 /nfs/dbraw/zinc/94/61/34/355946134.db2.gz VSDCKXIZLCDMOI-VIFPVBQESA-N 1 0 246.318 0.869 10 0 BCAERO NC(=O)CCN1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000063190347 181223225 /nfs/dbraw/zinc/22/32/25/181223225.db2.gz OMROOZIVFWMSFD-WDEREUQCSA-N 1 0 225.336 0.468 10 0 BCAERO NC(=O)C[NH2+][C@@H]1CCOc2ccccc21 ZINC000019392502 181236585 /nfs/dbraw/zinc/23/65/85/181236585.db2.gz WLJVTWIKFDNCQF-SECBINFHSA-N 1 0 206.245 0.585 10 0 BCAERO NC(=O)CCn1ccc2c1CCC[C@H]2[NH3+] ZINC000041730848 181227589 /nfs/dbraw/zinc/22/75/89/181227589.db2.gz ZWZWKVCNIGCQGG-SECBINFHSA-N 1 0 207.277 0.700 10 0 BCAERO NC(=O)C[C@@H]([NH3+])c1cc(F)c(F)c(F)c1 ZINC000044251436 181241492 /nfs/dbraw/zinc/24/14/92/181241492.db2.gz IQGYSDWUDSYORY-SSDOTTSWSA-N 1 0 218.178 0.979 10 0 BCAERO NC(=O)N1CCC([NH2+]C[C@H]2CCCO2)CC1 ZINC000037215293 181251064 /nfs/dbraw/zinc/25/10/64/181251064.db2.gz RVCLBHZPSGRKOM-SNVBAGLBSA-N 1 0 227.308 0.298 10 0 BCAERO NC(=O)Cc1ccc(NC2CC[NH2+]CC2)cc1 ZINC000038041211 181247585 /nfs/dbraw/zinc/24/75/85/181247585.db2.gz LIKVUPNMJNCIQK-UHFFFAOYSA-N 1 0 233.315 0.878 10 0 BCAERO NC(=O)Cn1c(N)[nH+]c2ccc(F)c(F)c21 ZINC000053169542 181248285 /nfs/dbraw/zinc/24/82/85/181248285.db2.gz NASUWJXTGMUKFH-UHFFFAOYSA-N 1 0 226.186 0.382 10 0 BCAERO O[C@H]1C[NH2+]C[C@@H]1CNc1ccncc1Cl ZINC000420252669 192188371 /nfs/dbraw/zinc/18/83/71/192188371.db2.gz OJLWNIZIVUTQNG-XCBNKYQSSA-N 1 0 227.695 0.149 10 0 BCAERO O[C@@H]1C[NH2+]C[C@H]1CNc1ncccc1Cl ZINC000420258509 192188953 /nfs/dbraw/zinc/18/89/53/192188953.db2.gz XTJBSZOEUSXVIR-IONNQARKSA-N 1 0 227.695 0.727 10 0 BCAERO O[C@H]1C[NH2+]C[C@H]1CNc1cnc2ccccc2n1 ZINC000420259572 192190021 /nfs/dbraw/zinc/19/00/21/192190021.db2.gz ZBKPYNOFOIRKSW-CABZTGNLSA-N 1 0 244.298 0.622 10 0 BCAERO NC(=O)[C@@H]([NH3+])c1ccc(OC(F)F)cc1 ZINC000037460212 181265094 /nfs/dbraw/zinc/26/50/94/181265094.db2.gz MBWWSYVCCLBDBP-ZETCQYMHSA-N 1 0 216.187 0.773 10 0 BCAERO NC(=O)[C@@H](Cc1ccccc1)N1CCC[NH2+]CC1 ZINC000038000706 181265186 /nfs/dbraw/zinc/26/51/86/181265186.db2.gz TVESSIWEEBJFAK-CYBMUJFWSA-N 1 0 247.342 0.378 10 0 BCAERO NC(=O)[C@@H]([NH2+]C1CCCC1)C1CCOCC1 ZINC000052178924 181264329 /nfs/dbraw/zinc/26/43/29/181264329.db2.gz SXRZDCXROBSRTR-NSHDSACASA-N 1 0 226.320 0.799 10 0 BCAERO NC(=O)[C@@H]([NH3+])CCN1Cc2ccccc2C1 ZINC000062531226 181264725 /nfs/dbraw/zinc/26/47/25/181264725.db2.gz CDRWETSMZATTHM-NSHDSACASA-N 1 0 219.288 0.205 10 0 BCAERO NC(=O)[C@@H](c1cccs1)N1CCC[NH2+]CC1 ZINC000041671962 181266638 /nfs/dbraw/zinc/26/66/38/181266638.db2.gz ITEDUUXNGBCYMX-SNVBAGLBSA-N 1 0 239.344 0.570 10 0 BCAERO CC1(C)CO[C@@H](CN2CCO[C@H](CO)C2)C1 ZINC000639514716 356355883 /nfs/dbraw/zinc/35/58/83/356355883.db2.gz PUVCXMXBUOTOAZ-MNOVXSKESA-N 1 0 229.320 0.495 10 0 BCAERO NC(=O)[C@@]1([NH2+]C[C@H]2CCCO2)CCSC1 ZINC000037942912 181275090 /nfs/dbraw/zinc/27/50/90/181275090.db2.gz PTQWLPWYNBAOOD-PSASIEDQSA-N 1 0 230.333 0.116 10 0 BCAERO O=S1(=O)CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000167639850 356428919 /nfs/dbraw/zinc/42/89/19/356428919.db2.gz BQSGPYMNUZDXRF-DTWKUNHWSA-N 1 0 203.307 0.706 10 0 BCAERO CS[C@@H](C)C(=O)N[C@H]1CC[N@H+](C)C1 ZINC000053295901 356403216 /nfs/dbraw/zinc/40/32/16/356403216.db2.gz NFDZWXLAMIBXTK-YUMQZZPRSA-N 1 0 202.323 0.558 10 0 BCAERO NC(=O)[C@@]1([NH2+]C2CCCC2)CCSC1 ZINC000037968699 181275847 /nfs/dbraw/zinc/27/58/47/181275847.db2.gz DFLCLMVBNKDNTP-SNVBAGLBSA-N 1 0 214.334 0.880 10 0 BCAERO c1cnc2c(c1)nccc2NC[C@H]1C[NH2+]CCO1 ZINC000379208561 356434424 /nfs/dbraw/zinc/43/44/24/356434424.db2.gz LSKLRHXNBZZDQD-SNVBAGLBSA-N 1 0 244.298 0.452 10 0 BCAERO NC(=O)[C@H]([NH2+]C1CCCC1)C1CCOCC1 ZINC000052178926 181278528 /nfs/dbraw/zinc/27/85/28/181278528.db2.gz SXRZDCXROBSRTR-LLVKDONJSA-N 1 0 226.320 0.799 10 0 BCAERO NC(=O)[C@H]([NH2+]CC1CC1)c1cccc(O)c1 ZINC000038000919 181278745 /nfs/dbraw/zinc/27/87/45/181278745.db2.gz LAWSUOREHPJOEK-LLVKDONJSA-N 1 0 220.272 0.918 10 0 BCAERO NC(=O)[C@H]1CCCCN1C[C@H]1CCCC[NH2+]1 ZINC000043493962 181279749 /nfs/dbraw/zinc/27/97/49/181279749.db2.gz FRPOXTZCTLRNBM-GHMZBOCLSA-N 1 0 225.336 0.468 10 0 BCAERO NC(=O)[C@H]1CCC[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000051918924 181282567 /nfs/dbraw/zinc/28/25/67/181282567.db2.gz WJBUMHZMWGQUHQ-GHMZBOCLSA-N 1 0 225.336 0.326 10 0 BCAERO NC(=O)[C@]1([NH2+]C[C@H]2CCCO2)CCCSC1 ZINC000061590405 181284328 /nfs/dbraw/zinc/28/43/28/181284328.db2.gz USZWTGAJJROOJC-KOLCDFICSA-N 1 0 244.360 0.506 10 0 BCAERO CCOc1nccnc1NCC[NH2+]CCOC ZINC000578122738 366280921 /nfs/dbraw/zinc/28/09/21/366280921.db2.gz JGIMITYGYGKRCL-UHFFFAOYSA-N 1 0 240.307 0.523 10 0 BCAERO Cc1cc(C[N@@H+]2C[C@H](O)C[C@@H]2CO)cs1 ZINC000336208568 134133438 /nfs/dbraw/zinc/13/34/38/134133438.db2.gz UYEVCNQIAOGEGJ-GHMZBOCLSA-N 1 0 227.329 0.984 10 0 BCAERO CCCCOC[C@H](O)C[NH+]1CCC(O)CC1 ZINC000193246447 134139543 /nfs/dbraw/zinc/13/95/43/134139543.db2.gz ORYDUJBVGYOXTM-GFCCVEGCSA-N 1 0 231.336 0.621 10 0 BCAERO C[C@@H]1CCC[N@H+](CC[C@@H](N)C(N)=O)[C@@H]1C ZINC000218678173 538467039 /nfs/dbraw/zinc/46/70/39/538467039.db2.gz MMMJKSAGCWIHOB-OPRDCNLKSA-N 1 0 213.325 0.310 10 0 BCAERO O=C(C1CCC1)N1CC[C@@H]2CC[NH2+]C[C@@H]21 ZINC000675057143 538479497 /nfs/dbraw/zinc/47/94/97/538479497.db2.gz WMCPAXGHHMESEI-ONGXEEELSA-N 1 0 208.305 0.997 10 0 BCAERO CC(C)(C)NC(=O)N1CCO[C@](C)(C[NH3+])C1 ZINC000675059049 538483763 /nfs/dbraw/zinc/48/37/63/538483763.db2.gz IQLCJXLPCHNDDM-LLVKDONJSA-N 1 0 229.324 0.544 10 0 BCAERO CCC(=O)N1C[C@H]([NH3+])[C@@H](C(F)(F)F)C1 ZINC000675059362 538484119 /nfs/dbraw/zinc/48/41/19/538484119.db2.gz GSSGYQOTOMCOON-WDSKDSINSA-N 1 0 210.199 0.744 10 0 BCAERO CC(C)[NH+]1CCN(C[C@@H]2CC[C@H](CO)O2)CC1 ZINC000675059468 538484219 /nfs/dbraw/zinc/48/42/19/538484219.db2.gz PUMSZKRIMNKGIA-QWHCGFSZSA-N 1 0 242.363 0.552 10 0 BCAERO CC[C@@]1(CNC(=O)CC(C)C)C[NH2+]CCO1 ZINC000675059476 538484239 /nfs/dbraw/zinc/48/42/39/538484239.db2.gz PZYOYUVXVDDBBV-LBPRGKRZSA-N 1 0 228.336 0.917 10 0 BCAERO CCC[C@]1(C[NH3+])CN(C(=O)CC)CCO1 ZINC000675058829 538482474 /nfs/dbraw/zinc/48/24/74/538482474.db2.gz AFYFUJXFOMLEBI-NSHDSACASA-N 1 0 214.309 0.753 10 0 BCAERO C[C@@]1(C[NH3+])CN(C(=O)CC2CC2)CCO1 ZINC000675059126 538483823 /nfs/dbraw/zinc/48/38/23/538483823.db2.gz KWTMQMGCFXKQGQ-LLVKDONJSA-N 1 0 212.293 0.363 10 0 BCAERO CC[C@]1(CNC(=O)C2CC2)C[NH2+]CCO1 ZINC000675058918 538482630 /nfs/dbraw/zinc/48/26/30/538482630.db2.gz BQEZUQUKVMJDOK-LLVKDONJSA-N 1 0 212.293 0.281 10 0 BCAERO CC(C)C(=O)NC[C@]1(C)C[NH2+]CCO1 ZINC000675059265 538484332 /nfs/dbraw/zinc/48/43/32/538484332.db2.gz MLIKDTRWZIGVHW-JTQLQIEISA-N 1 0 200.282 0.137 10 0 BCAERO CC[C@@]1(CNC(=O)NCC(C)C)C[NH2+]CCO1 ZINC000675059013 538482814 /nfs/dbraw/zinc/48/28/14/538482814.db2.gz GRJPQKDXVCWTEO-LBPRGKRZSA-N 1 0 243.351 0.710 10 0 BCAERO CC[C@@]1(C[NH3+])CN(C(=O)NCC(C)C)CCO1 ZINC000675059005 538483142 /nfs/dbraw/zinc/48/31/42/538483142.db2.gz GNORGCOMRFUQLO-GFCCVEGCSA-N 1 0 243.351 0.792 10 0 BCAERO CC[C@]1(CNC(=O)C2(C)CC2)C[NH2+]CCO1 ZINC000675059075 538483548 /nfs/dbraw/zinc/48/35/48/538483548.db2.gz JHESYBQSVZJSLU-GFCCVEGCSA-N 1 0 226.320 0.671 10 0 BCAERO COCCNC(=O)NC[C@]12C[C@H](C[NH2+]1)CCC2 ZINC000675051782 538475164 /nfs/dbraw/zinc/47/51/64/538475164.db2.gz UBAYCAMJMRPGBA-PWSUYJOCSA-N 1 0 241.335 0.464 10 0 BCAERO CC(C)[C@H](C)C(=O)N(C1C[NH2+]C1)[C@@H]1CCOC1 ZINC000675068814 538496831 /nfs/dbraw/zinc/49/68/31/538496831.db2.gz DJUOUNMHARNRPL-WDEREUQCSA-N 1 0 240.347 0.868 10 0 BCAERO CCC(=O)N1CCO[C@@](CC)(C[NH3+])C1 ZINC000675059462 538484560 /nfs/dbraw/zinc/48/45/60/538484560.db2.gz PNIJWOYMZWIOSW-JTQLQIEISA-N 1 0 200.282 0.363 10 0 BCAERO CCCNC(=O)N1CCO[C@@](CC)(C[NH3+])C1 ZINC000675059721 538485175 /nfs/dbraw/zinc/48/51/75/538485175.db2.gz VPNRNMFJVCQQLR-NSHDSACASA-N 1 0 229.324 0.546 10 0 BCAERO CCC[C@H](C)C(=O)N1CCO[C@@](C)(C[NH3+])C1 ZINC000675059922 538485320 /nfs/dbraw/zinc/48/53/20/538485320.db2.gz YBBUHPCXJXGLGP-JQWIXIFHSA-N 1 0 228.336 0.999 10 0 BCAERO CCCNC(=O)N1CCO[C@@](C)(C[NH3+])C1 ZINC000675059893 538486176 /nfs/dbraw/zinc/48/61/76/538486176.db2.gz XGGIMUZLDQNWJR-JTQLQIEISA-N 1 0 215.297 0.156 10 0 BCAERO CC(C)[C@H](C)C(=O)N(C1C[NH2+]C1)[C@H]1CCOC1 ZINC000675068711 538496900 /nfs/dbraw/zinc/49/69/00/538496900.db2.gz DJUOUNMHARNRPL-QWRGUYRKSA-N 1 0 240.347 0.868 10 0 BCAERO CC(C)N(C(C)C)[C@@H]1C[NH2+]CC[C@H]1O ZINC000675060828 538486789 /nfs/dbraw/zinc/48/67/89/538486789.db2.gz QELPDULJNUJFSN-GHMZBOCLSA-N 1 0 200.326 0.828 10 0 BCAERO [NH3+]C[C@@H]1C[C@@H]2C[C@H](NS(=O)(=O)C3CC3)[C@@H]2C1 ZINC000675068492 538497035 /nfs/dbraw/zinc/49/70/35/538497035.db2.gz APLJKJHZGXBIEW-OYBPUVFXSA-N 1 0 244.360 0.442 10 0 BCAERO C[C@@H]1CCN(c2ncccn2)C[C@@H]1C[NH3+] ZINC000167683272 134153236 /nfs/dbraw/zinc/15/32/36/134153236.db2.gz IZVLJMUYBXITQH-ZJUUUORDSA-N 1 0 206.293 0.898 10 0 BCAERO COC(=O)[C@@H]1CCN(c2cc[nH+]cc2C=O)C1 ZINC000675067308 538493547 /nfs/dbraw/zinc/49/35/47/538493547.db2.gz FHTMBLMQZLTIBT-SECBINFHSA-N 1 0 234.255 0.893 10 0 BCAERO [NH3+]C[C@@H]1C[C@@H]2C[C@H](NC(=O)C3CC3)[C@H]2C1 ZINC000675068476 538496799 /nfs/dbraw/zinc/49/67/99/538496799.db2.gz AENKQHZSYZCUTF-SNXWAXQRSA-N 1 0 208.305 0.886 10 0 BCAERO COCC(=O)NC[C@@H]1C[C@@H]2C[C@@H]([NH3+])[C@@H]2C1 ZINC000675070602 538500735 /nfs/dbraw/zinc/50/07/35/538500735.db2.gz PTQCQVYXLJVXCD-ZYUZMQFOSA-N 1 0 212.293 0.122 10 0 BCAERO CC(C)S(=O)(=O)N[C@@H]1C[C@@H]2C[C@@H](C[NH3+])C[C@H]12 ZINC000675070304 538500919 /nfs/dbraw/zinc/50/09/19/538500919.db2.gz NYOVRKCSCGGMPG-VPOLOUISSA-N 1 0 246.376 0.688 10 0 BCAERO COCC(=O)N[C@@H]1C[C@@H]2C[C@@H](C[NH3+])C[C@H]12 ZINC000675070703 538501189 /nfs/dbraw/zinc/50/11/89/538501189.db2.gz RZYXRWVCSHKZET-XFWSIPNHSA-N 1 0 212.293 0.122 10 0 BCAERO COCCC(=O)NC[C@@H]1C[C@@H]2C[C@@H]([NH3+])[C@H]2C1 ZINC000675070667 538501311 /nfs/dbraw/zinc/50/13/11/538501311.db2.gz RFEYMOYGDAFIDW-CHWFTXMASA-N 1 0 226.320 0.513 10 0 BCAERO COCCNC(=O)N[C@@H]1C[C@@H]2C[C@@H](C[NH3+])C[C@@H]12 ZINC000675070809 538501768 /nfs/dbraw/zinc/50/17/68/538501768.db2.gz SUNFUHZTLGPQGX-LMLFDSFASA-N 1 0 241.335 0.305 10 0 BCAERO CCCS(=O)(=O)N[C@@H]1C[C@@H]2C[C@@H](C[NH3+])C[C@H]12 ZINC000675071031 538501882 /nfs/dbraw/zinc/50/18/82/538501882.db2.gz VSKSIEMWSALIPN-VPOLOUISSA-N 1 0 246.376 0.689 10 0 BCAERO CCCS(=O)(=O)N[C@@H]1C[C@@H]2C[C@H](C[NH3+])C[C@H]12 ZINC000675071032 538501950 /nfs/dbraw/zinc/50/19/50/538501950.db2.gz VSKSIEMWSALIPN-XWLWVQCSSA-N 1 0 246.376 0.689 10 0 BCAERO COc1ccc(C2=C[C@@H](O)C[NH2+]C2)cn1 ZINC000675076310 538511446 /nfs/dbraw/zinc/51/14/46/538511446.db2.gz AXFCZFZGPRXPSH-SNVBAGLBSA-N 1 0 206.245 0.438 10 0 BCAERO Cc1cc(=O)[nH]c(N2CC[NH2+][C@H](C)C2)n1 ZINC000675072971 538504274 /nfs/dbraw/zinc/50/42/74/538504274.db2.gz FOFJYUCJVIUPEL-MRVPVSSYSA-N 1 0 208.265 0.289 10 0 BCAERO COCCNC(=O)Nc1nc(C[NH3+])cs1 ZINC000675073526 538506078 /nfs/dbraw/zinc/50/60/78/538506078.db2.gz PQCIJHUKEGUGJE-UHFFFAOYSA-N 1 0 230.293 0.370 10 0 BCAERO CCS(=O)(=O)NC[C@@H]1C[C@@H]2C[C@@H]([NH3+])[C@H]2C1 ZINC000675073691 538506446 /nfs/dbraw/zinc/50/64/46/538506446.db2.gz SWJKJUGIWMIJGY-DOLQZWNJSA-N 1 0 232.349 0.299 10 0 BCAERO [NH3+]Cc1cc2c(c(C(=O)[O-])c1)OCC[NH2+]C2 ZINC000675074833 538507843 /nfs/dbraw/zinc/50/78/43/538507843.db2.gz IXBLJNUCIVIQDM-UHFFFAOYSA-N 1 0 222.244 0.326 10 0 BCAERO CC(C)[C@@H]([NH3+])CNc1cnn(C)c(=O)c1Cl ZINC000167916797 134154681 /nfs/dbraw/zinc/15/46/81/134154681.db2.gz FZNYPLHUHSHDPF-ZETCQYMHSA-N 1 0 244.726 0.829 10 0 BCAERO CCn1ncnc1-c1cnn2c1C[NH2+]CC2 ZINC000675075942 538510200 /nfs/dbraw/zinc/51/02/00/538510200.db2.gz HCNAPBYRMNUESV-UHFFFAOYSA-N 1 0 218.264 0.265 10 0 BCAERO CC(C)S(=O)(=O)N1CCC[C@H]2C[C@]21C[NH3+] ZINC000675068929 538497884 /nfs/dbraw/zinc/49/78/84/538497884.db2.gz FKLOAUDBIWNZBT-UWVGGRQHSA-N 1 0 232.349 0.538 10 0 BCAERO Cc1c(CC2=C[C@@H](O)C[NH2+]C2)cnn1C ZINC000675077412 538514171 /nfs/dbraw/zinc/51/41/71/538514171.db2.gz MITWIQLLEJVNLD-LLVKDONJSA-N 1 0 207.277 0.162 10 0 BCAERO CCn1ncc(Cl)c1C1=C[C@H]([NH3+])CNC1 ZINC000675077929 538514289 /nfs/dbraw/zinc/51/42/89/538514289.db2.gz KAKHGJQGYJNCJO-QMMMGPOBSA-N 1 0 226.711 0.870 10 0 BCAERO CCCn1nccc1C1=C[C@@H](O)C[NH2+]C1 ZINC000675077442 538514347 /nfs/dbraw/zinc/51/43/47/538514347.db2.gz MPIVAYTYBWCLCH-SNVBAGLBSA-N 1 0 207.277 0.641 10 0 BCAERO Cn1c(Cl)cnc1CC1=C[C@@H](O)C[NH2+]C1 ZINC000675078135 538514847 /nfs/dbraw/zinc/51/48/47/538514847.db2.gz WEOFVNJQTZAKCW-MRVPVSSYSA-N 1 0 227.695 0.507 10 0 BCAERO Nc1ccccc1-c1cn(C2C[NH2+]C2)nn1 ZINC000675078741 538516559 /nfs/dbraw/zinc/51/65/59/538516559.db2.gz KMXOJLNVIIGOAE-UHFFFAOYSA-N 1 0 215.260 0.672 10 0 BCAERO C[NH+](C)CC(=O)N[C@H]1Cc2ccccc2[C@@H]1[NH3+] ZINC000675079300 538517650 /nfs/dbraw/zinc/51/76/50/538517650.db2.gz FBPFTXADTUOSBH-AAEUAGOBSA-N 1 0 233.315 0.289 10 0 BCAERO CC(C)(C)OC(=O)N1CC2(C1)OCC[C@H]2C[NH3+] ZINC000675079730 538518960 /nfs/dbraw/zinc/51/89/60/538518960.db2.gz HKNDQAAWVWRSRS-VIFPVBQESA-N 1 0 242.319 0.971 10 0 BCAERO CCn1ccnc1CC1=C[C@@H](O)C[NH2+]C1 ZINC000675076979 538512097 /nfs/dbraw/zinc/51/20/97/538512097.db2.gz IAPNHYPFKFQUKB-SNVBAGLBSA-N 1 0 207.277 0.336 10 0 BCAERO CCCn1cc(C2=C[C@H](O)C[NH2+]C2)cn1 ZINC000675077062 538512143 /nfs/dbraw/zinc/51/21/43/538512143.db2.gz JBRHQWOKJJXXHU-NSHDSACASA-N 1 0 207.277 0.641 10 0 BCAERO Cn1ccnc1CCC1=C[C@@H](O)C[NH2+]C1 ZINC000675076893 538512898 /nfs/dbraw/zinc/51/28/98/538512898.db2.gz GUIJPTMGEAMVIO-SNVBAGLBSA-N 1 0 207.277 0.243 10 0 BCAERO OCC(CO)[NH2+]C[C@@H]1Cc2ccccc21 ZINC000085574330 356698674 /nfs/dbraw/zinc/69/86/74/356698674.db2.gz PYJKJMBSVBSQGG-JTQLQIEISA-N 1 0 207.273 0.269 10 0 BCAERO CC(C)(C)C(=O)N1CCN(C2C[NH2+]C2)CC1 ZINC000085279518 538539125 /nfs/dbraw/zinc/53/91/25/538539125.db2.gz IDVNSGURERIWJU-UHFFFAOYSA-N 1 0 225.336 0.149 10 0 BCAERO CC(C)(C)OC(=O)[C@@H]1CCN(C[NH3+])C1 ZINC000035270198 356704124 /nfs/dbraw/zinc/70/41/24/356704124.db2.gz AWRPXOMRXIZAIW-MRVPVSSYSA-N 1 0 200.282 0.566 10 0 BCAERO C[N@@H+]1CCCC[C@H]1CCn1cc(N)nn1 ZINC000086491499 538555150 /nfs/dbraw/zinc/55/51/50/538555150.db2.gz JQJCZGPBMMBKQP-VIFPVBQESA-N 1 0 209.297 0.735 10 0 BCAERO CCc1nc(CC2CC[NH2+]CC2)n(C)n1 ZINC000086573497 538557257 /nfs/dbraw/zinc/55/72/57/538557257.db2.gz QQGOWOQDJRHIGY-UHFFFAOYSA-N 1 0 208.309 0.920 10 0 BCAERO COC(=O)[C@@]1([NH3+])CC[C@@H](n2cccn2)C1 ZINC000086626766 538557273 /nfs/dbraw/zinc/55/72/73/538557273.db2.gz ABUWCOXLXBMZMP-PSASIEDQSA-N 1 0 209.249 0.479 10 0 BCAERO NC(=O)[C@@]1([NH3+])CC[C@@H](n2cc(Cl)cn2)C1 ZINC000086626957 538557976 /nfs/dbraw/zinc/55/79/76/538557976.db2.gz FUXWNVSYYQWVEF-VXNVDRBHSA-N 1 0 228.683 0.444 10 0 BCAERO CC(C)NC(=O)NC[C@H]1CC[NH2+]C[C@H]1C ZINC000129819937 538576388 /nfs/dbraw/zinc/57/63/88/538576388.db2.gz GAACGXKLLBQXRB-NXEZZACHSA-N 1 0 213.325 0.940 10 0 BCAERO CCCS(=O)(=O)NC[C@H]1CC[NH2+]C[C@H]1C ZINC000129824007 538577683 /nfs/dbraw/zinc/57/76/83/538577683.db2.gz WNANQHNAFWZEJK-NXEZZACHSA-N 1 0 234.365 0.561 10 0 BCAERO COC(OC)C(=O)C[C@H]1C[C@H](C)CC[NH2+]1 ZINC000130352852 538588722 /nfs/dbraw/zinc/58/87/22/538588722.db2.gz ULBLJIXQHNGGFH-RKDXNWHRSA-N 1 0 215.293 0.953 10 0 BCAERO CCCCNC(=O)N1CCN(C2C[NH2+]C2)CC1 ZINC000090307183 538591429 /nfs/dbraw/zinc/59/14/29/538591429.db2.gz POKWQGDUWVTNTK-UHFFFAOYSA-N 1 0 240.351 0.086 10 0 BCAERO CC(C)[C@@H]([NH2+]Cc1cccc(O)c1)C(N)=O ZINC000223960314 538594310 /nfs/dbraw/zinc/59/43/10/538594310.db2.gz IEZNWSYKBNJKTI-LLVKDONJSA-N 1 0 222.288 0.992 10 0 BCAERO COc1cc([C@@H](O)[C@@H](C)C[NH3+])sn1 ZINC000319200679 538615720 /nfs/dbraw/zinc/61/57/20/538615720.db2.gz DQFBTSBUFVXZAI-XNCJUZBTSA-N 1 0 202.279 0.780 10 0 BCAERO CC(C)(C)OC(=O)N1CCOC[C@@H]1CC(N)=[NH2+] ZINC000096894523 538617468 /nfs/dbraw/zinc/61/74/68/538617468.db2.gz AWDRDFWOLQZKNC-QMMMGPOBSA-N 1 0 243.307 0.948 10 0 BCAERO CC(C)S(=O)(=O)NC[C@@H]1CC[C@@H]([NH3+])C1 ZINC000227631160 538699500 /nfs/dbraw/zinc/69/95/00/538699500.db2.gz CFMPHORQZYZBKH-RKDXNWHRSA-N 1 0 220.338 0.442 10 0 BCAERO C[C@]1(CO)C[C@H](O)C[N@@H+]1C[C@@H]1CCC[C@H](O)C1 ZINC000639849806 356850782 /nfs/dbraw/zinc/85/07/82/356850782.db2.gz QXEBGYLDTLRROX-MROQNXINSA-N 1 0 243.347 0.355 10 0 BCAERO C[C@@H]([NH3+])CCC(=O)N1[C@H](C)COC[C@@H]1C ZINC000193265955 356899107 /nfs/dbraw/zinc/89/91/07/356899107.db2.gz KRTBNRSTRQMYND-BBBLOLIVSA-N 1 0 214.309 0.750 10 0 BCAERO FC(F)(F)[C@]1(c2ncno2)CC[NH2+]C1 ZINC000223753658 357045000 /nfs/dbraw/zinc/04/50/00/357045000.db2.gz SOLPOCLXGJKIQR-ZCFIWIBFSA-N 1 0 207.155 0.863 10 0 BCAERO CC[NH2+]C[C@H](O)CS(=O)(=O)c1ccccc1 ZINC000227937998 538771129 /nfs/dbraw/zinc/77/11/29/538771129.db2.gz RXQNKPMOIRBGJF-JTQLQIEISA-N 1 0 243.328 0.431 10 0 BCAERO C[C@@H]1CC[NH2+]C[C@H]1Nc1ccc2nccnc2n1 ZINC000389710203 357018003 /nfs/dbraw/zinc/01/80/03/357018003.db2.gz TZCBFOYZFWKWMU-MWLCHTKSSA-N 1 0 243.314 0.808 10 0 BCAERO C[C@@H]1CC[NH2+]C[C@@H]1Nc1ccnc(C(N)=O)c1 ZINC000389710106 357018011 /nfs/dbraw/zinc/01/80/11/357018011.db2.gz SVXGOQLEUPVSAD-KCJUWKMLSA-N 1 0 234.303 0.012 10 0 BCAERO C[C@H]1CC[NH2+]C[C@H]1Nc1ccnc(C(N)=O)c1 ZINC000389710105 357018141 /nfs/dbraw/zinc/01/81/41/357018141.db2.gz SVXGOQLEUPVSAD-GZMMTYOYSA-N 1 0 234.303 0.012 10 0 BCAERO CC(C)S(=O)(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000160594901 357105632 /nfs/dbraw/zinc/10/56/32/357105632.db2.gz ACZWZGSOLNPJFC-BDAKNGLRSA-N 1 0 220.338 0.394 10 0 BCAERO COC[C@](C)(O)C[NH2+]Cc1cnn(C)c1C ZINC000390638362 357109348 /nfs/dbraw/zinc/10/93/48/357109348.db2.gz MGUCDLDRRGTNFD-LLVKDONJSA-N 1 0 227.308 0.216 10 0 BCAERO COc1ccnc(NC[C@H]2C[NH2+]CCCO2)n1 ZINC000389883431 357059782 /nfs/dbraw/zinc/05/97/82/357059782.db2.gz HCECXCSKMPNQKO-SECBINFHSA-N 1 0 238.291 0.276 10 0 BCAERO COCc1ccc(C[NH2+][C@@H]2C[C@H]2CO)o1 ZINC000389993141 357080704 /nfs/dbraw/zinc/08/07/04/357080704.db2.gz PFYPGMHZQHDFCX-GZMMTYOYSA-N 1 0 211.261 0.896 10 0 BCAERO C[NH2+][C@H](C)C(=O)N1CCC[C@@H]1CSC ZINC000399963935 357136003 /nfs/dbraw/zinc/13/60/03/357136003.db2.gz NYLMLPCVFVVGTL-RKDXNWHRSA-N 1 0 216.350 0.948 10 0 BCAERO CCS(=O)(=O)N1CCC[C@]1(C)C[NH3+] ZINC000259022114 538805323 /nfs/dbraw/zinc/80/53/23/538805323.db2.gz DTDOYKZHXATFLZ-MRVPVSSYSA-N 1 0 206.311 0.149 10 0 BCAERO Cn1ccnc1C(=O)CC1CC[NH2+]CC1 ZINC000168647012 357167613 /nfs/dbraw/zinc/16/76/13/357167613.db2.gz HTKQISDGAMTSBY-UHFFFAOYSA-N 1 0 207.277 0.993 10 0 BCAERO NC(=O)[C@@H]([NH3+])Cc1coc2ccccc12 ZINC000259058808 538806427 /nfs/dbraw/zinc/80/64/27/538806427.db2.gz MHDPODYAOPMPHZ-VIFPVBQESA-N 1 0 204.229 0.788 10 0 BCAERO CC(C)[C@@H]([NH3+])[C@@H]1CCCCS1(=O)=O ZINC000168734696 357202246 /nfs/dbraw/zinc/20/22/46/357202246.db2.gz VSYYTPWFETUYOM-DTWKUNHWSA-N 1 0 205.323 0.937 10 0 BCAERO CC(C)S(=O)(=O)N1CCC[C@]1(C)C[NH3+] ZINC000259265122 538810440 /nfs/dbraw/zinc/81/04/40/538810440.db2.gz UFKQXPDMUPLBQL-SECBINFHSA-N 1 0 220.338 0.538 10 0 BCAERO CCC(C)(C)NC(=O)CN1C[C@H]([NH3+])[C@@H](C)C1 ZINC000232868439 535356235 /nfs/dbraw/zinc/35/62/35/535356235.db2.gz BKAQFXWRMSPETI-UWVGGRQHSA-N 1 0 227.352 0.570 10 0 BCAERO C[S@@](=O)C1(C[NH2+]CC(C)(C)O)CCC1 ZINC000393700457 357293489 /nfs/dbraw/zinc/29/34/89/357293489.db2.gz LIYPIAYOFKCUTC-CQSZACIVSA-N 1 0 219.350 0.648 10 0 BCAERO C[S@](=O)C1(C[NH2+]CC(C)(C)O)CCC1 ZINC000393700456 357293697 /nfs/dbraw/zinc/29/36/97/357293697.db2.gz LIYPIAYOFKCUTC-AWEZNQCLSA-N 1 0 219.350 0.648 10 0 BCAERO CO[C@@H]1C[NH2+][C@H](C(=O)C2CCOCC2)C1 ZINC000168701081 357258720 /nfs/dbraw/zinc/25/87/20/357258720.db2.gz ONHFEWHWVUYQFA-UWVGGRQHSA-N 1 0 213.277 0.359 10 0 BCAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000392901079 357263555 /nfs/dbraw/zinc/26/35/55/357263555.db2.gz SNFGYNCMSLAROA-ZDCRXTMVSA-N 1 0 225.336 0.513 10 0 BCAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]CCCC(=O)N(C)C ZINC000393038979 357265942 /nfs/dbraw/zinc/26/59/42/357265942.db2.gz ZBEAXVLNRCLGJD-VHSXEESVSA-N 1 0 241.335 0.112 10 0 BCAERO C[C@H]1NC(=O)CC[C@H]1[NH2+]CCCC(=O)N(C)C ZINC000393038976 357266219 /nfs/dbraw/zinc/26/62/19/357266219.db2.gz ZBEAXVLNRCLGJD-NXEZZACHSA-N 1 0 241.335 0.112 10 0 BCAERO CCN1CC[C@H]([NH2+]C[C@H](C)COC)C1 ZINC000393239603 357279744 /nfs/dbraw/zinc/27/97/44/357279744.db2.gz NEQQQFXGFJDVEB-QWRGUYRKSA-N 1 0 200.326 0.953 10 0 BCAERO Cc1cc(CNC(=O)[C@@H]2CCC[NH2+][C@@H]2C)no1 ZINC000395317989 357423762 /nfs/dbraw/zinc/42/37/62/357423762.db2.gz ZJTOLLYPOORAFZ-MWLCHTKSSA-N 1 0 237.303 0.987 10 0 BCAERO C[C@@H]1[C@@H](O)CCC[N@@H+]1CC[C@H]1CCNC1=O ZINC000396086457 357470625 /nfs/dbraw/zinc/47/06/25/357470625.db2.gz NETRRFPHALZKKE-MXWKQRLJSA-N 1 0 226.320 0.358 10 0 BCAERO NC(=O)c1cc(NCC[C@@H]2CC[NH2+]C2)ccn1 ZINC000104363221 181291431 /nfs/dbraw/zinc/29/14/31/181291431.db2.gz ITIMOHCCRSVPCU-VIFPVBQESA-N 1 0 234.303 0.592 10 0 BCAERO C[C@@H]1OCCC[C@H]1C(=O)N(C)CC[NH+](C)C ZINC000188703998 357565201 /nfs/dbraw/zinc/56/52/01/357565201.db2.gz SKMZZBPHVCQBIF-WDEREUQCSA-N 1 0 228.336 0.822 10 0 BCAERO CC(C)(C)C(=O)NCCN1CCC([NH3+])CC1 ZINC000321369779 538868813 /nfs/dbraw/zinc/86/88/13/538868813.db2.gz OPGSZCKWCHICAI-UHFFFAOYSA-N 1 0 227.352 0.572 10 0 BCAERO CC(C)NC(=O)N1CC[C@@H]([NH3+])[C@@H](F)C1 ZINC000685946615 538885583 /nfs/dbraw/zinc/88/55/83/538885583.db2.gz UGZDQEACQADXNI-JGVFFNPUSA-N 1 0 203.261 0.476 10 0 BCAERO COCC(=O)N[C@H]1CCCC12CC[NH2+]CC2 ZINC000685946674 538886119 /nfs/dbraw/zinc/88/61/19/538886119.db2.gz MHLBIXBUJRLKCQ-JTQLQIEISA-N 1 0 226.320 0.671 10 0 BCAERO CC(C)CNC(=O)N1CC[C@H]([NH3+])[C@@H](F)C1 ZINC000685945797 538887084 /nfs/dbraw/zinc/88/70/84/538887084.db2.gz BEPCDEKUKAXUNB-IUCAKERBSA-N 1 0 217.288 0.723 10 0 BCAERO NC(=O)OCc1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000685946297 538888036 /nfs/dbraw/zinc/88/80/36/538888036.db2.gz IMXLRNUXIHMPPP-SSDOTTSWSA-N 1 0 225.252 0.039 10 0 BCAERO O=S(=O)(C1CC1)N1CC2(C1)CCC[NH2+]C2 ZINC000685946486 538888303 /nfs/dbraw/zinc/88/83/03/538888303.db2.gz AVKSPVGODRSDRC-UHFFFAOYSA-N 1 0 230.333 0.164 10 0 BCAERO C[N@H+](CCO)[C@@H]1CC(=O)N[C@@H](C(F)(F)F)C1 ZINC000685947183 538888575 /nfs/dbraw/zinc/88/85/75/538888575.db2.gz SPJSKXDVBFFEQG-NKWVEPMBSA-N 1 0 240.225 0.120 10 0 BCAERO CC(C)CNC(=O)N[C@H]1CC[NH2+]C[C@H]1F ZINC000685946944 538888663 /nfs/dbraw/zinc/88/86/63/538888663.db2.gz XOGHUSFJGRWLKI-BDAKNGLRSA-N 1 0 217.288 0.642 10 0 BCAERO CCCNC(=O)N1CC[C@@H]2CC[C@]21C[NH3+] ZINC000685947270 538888720 /nfs/dbraw/zinc/88/87/20/538888720.db2.gz SZIXCKWOUOLPLX-ONGXEEELSA-N 1 0 211.309 0.919 10 0 BCAERO CC(C)CC(=O)N[C@H]1CC[NH2+]C[C@@H]1F ZINC000685946962 538888743 /nfs/dbraw/zinc/88/87/43/538888743.db2.gz XUZLLRZLXNJOSD-IUCAKERBSA-N 1 0 202.273 0.849 10 0 BCAERO CC(C)CNC(=O)N[C@@H]1CC[NH2+]C[C@@H]1F ZINC000685946949 538888768 /nfs/dbraw/zinc/88/87/68/538888768.db2.gz XOGHUSFJGRWLKI-DTWKUNHWSA-N 1 0 217.288 0.642 10 0 BCAERO CC(C)(C)OC(=O)N1CCC(=O)[C@@H]2C[NH2+]C[C@H]21 ZINC000685947428 538889172 /nfs/dbraw/zinc/88/91/72/538889172.db2.gz KHDBDPWSABLFMH-RKDXNWHRSA-N 1 0 240.303 0.784 10 0 BCAERO CC(C)NC(=O)NC[C@@]12CC[C@@H]1CC[NH2+]2 ZINC000685947418 538889292 /nfs/dbraw/zinc/88/92/92/538889292.db2.gz VJXXQKHPQIBITC-KOLCDFICSA-N 1 0 211.309 0.836 10 0 BCAERO CCCNC(=O)NC[C@@]12CC[C@@H]1CC[NH2+]2 ZINC000685947776 538889411 /nfs/dbraw/zinc/88/94/11/538889411.db2.gz ZYAPAFWWAYQLGY-KOLCDFICSA-N 1 0 211.309 0.838 10 0 BCAERO COCC(=O)NC1CCC(C)([NH3+])CC1 ZINC000685947921 538889652 /nfs/dbraw/zinc/88/96/52/538889652.db2.gz TYVGRHJYTFNLNC-UHFFFAOYSA-N 1 0 200.282 0.409 10 0 BCAERO O=C(c1ccoc1)N1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC000404060947 357657891 /nfs/dbraw/zinc/65/78/91/357657891.db2.gz MJKVVYPXYDOTFE-QWRGUYRKSA-N 1 0 236.271 0.483 10 0 BCAERO COCC(=O)N1CC[C@]2([NH3+])CCCC[C@@H]12 ZINC000685948600 538891061 /nfs/dbraw/zinc/89/10/61/538891061.db2.gz CHRCVZGLFRIPMQ-MWLCHTKSSA-N 1 0 212.293 0.505 10 0 BCAERO CC(C)(C)OC(=O)N1CC[C@H]1C[C@@H](O)C[NH3+] ZINC000685948918 538891803 /nfs/dbraw/zinc/89/18/03/538891803.db2.gz WZHDLBTXZOICKW-DTWKUNHWSA-N 1 0 230.308 0.706 10 0 BCAERO CCC(=O)N1CC2(C[NH2+]C2)C(F)(F)C1 ZINC000685949061 538891910 /nfs/dbraw/zinc/89/19/10/538891910.db2.gz JSKPBTLANNUHIO-UHFFFAOYSA-N 1 0 204.220 0.464 10 0 BCAERO CC(C)S(=O)(=O)N[C@@]12CC[NH2+][C@H]1CCCC2 ZINC000685949212 538892354 /nfs/dbraw/zinc/89/23/54/538892354.db2.gz MDVZUUXGRYOFLO-QWRGUYRKSA-N 1 0 246.376 0.989 10 0 BCAERO [NH3+][C@@H]1C[C@H](N2CCOCC2)C12CCOCC2 ZINC000685949196 538892593 /nfs/dbraw/zinc/89/25/93/538892593.db2.gz LQCHJNXEWSMWIL-MNOVXSKESA-N 1 0 226.320 0.215 10 0 BCAERO CCCS(=O)(=O)N[C@@]12CC[NH2+][C@@H]1CCCC2 ZINC000685949274 538892597 /nfs/dbraw/zinc/89/25/97/538892597.db2.gz NYUQDFNJUWRLPJ-MNOVXSKESA-N 1 0 246.376 0.991 10 0 BCAERO CCCS(=O)(=O)N[C@]12CC[NH2+][C@@H]1CCCC2 ZINC000685949273 538892649 /nfs/dbraw/zinc/89/26/49/538892649.db2.gz NYUQDFNJUWRLPJ-GHMZBOCLSA-N 1 0 246.376 0.991 10 0 BCAERO CCNC(=O)N[C@]12CC[NH2+][C@@H]1CCCC2 ZINC000685949846 538892941 /nfs/dbraw/zinc/89/29/41/538892941.db2.gz YNLNYEOYCMVHGK-MWLCHTKSSA-N 1 0 211.309 0.980 10 0 BCAERO CCNC(=O)N[C@@]12CC[NH2+][C@@H]1CCCC2 ZINC000685949844 538893131 /nfs/dbraw/zinc/89/31/31/538893131.db2.gz YNLNYEOYCMVHGK-KOLCDFICSA-N 1 0 211.309 0.980 10 0 BCAERO COC(=O)Cn1cc2c(n1)[C@@H]([NH3+])CCC2 ZINC000685950094 538893531 /nfs/dbraw/zinc/89/35/31/538893531.db2.gz HFEQPHGIBULKTJ-QMMMGPOBSA-N 1 0 209.249 0.392 10 0 BCAERO COC(=O)C12CCC(OC)(CC1)C[C@@H]2[NH3+] ZINC000685950289 538893597 /nfs/dbraw/zinc/89/35/97/538893597.db2.gz MJAFIJSGWYGUKE-PUSIOWJLSA-N 1 0 213.277 0.836 10 0 BCAERO CCOCCN1C(=S)N=NC1C1C[NH2+]C1 ZINC000685950337 538893844 /nfs/dbraw/zinc/89/38/44/538893844.db2.gz XMGUSVJZCVDKRP-UHFFFAOYSA-N 1 0 228.321 0.290 10 0 BCAERO CCC(C)(C)NC(=O)N1CC[C@@](O)(C[NH3+])C1 ZINC000685950730 538894099 /nfs/dbraw/zinc/89/40/99/538894099.db2.gz XGSDNNRGDCMCOB-LLVKDONJSA-N 1 0 229.324 0.280 10 0 BCAERO CCC(C)(C)NC(=O)N1CC[C@](O)(C[NH3+])C1 ZINC000685950731 538894139 /nfs/dbraw/zinc/89/41/39/538894139.db2.gz XGSDNNRGDCMCOB-NSHDSACASA-N 1 0 229.324 0.280 10 0 BCAERO C=Cn1cc(C[NH2+][C@H]2CCCNC2=O)cn1 ZINC000232572718 357672055 /nfs/dbraw/zinc/67/20/55/357672055.db2.gz ZUVWPCJREQSHMS-JTQLQIEISA-N 1 0 220.276 0.352 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H](C)[C@H]1[N@@H+]1CCC[C@H]1C(=O)[O-] ZINC000685951162 538894802 /nfs/dbraw/zinc/89/48/02/538894802.db2.gz OETRIEWELGBHMW-ZRUFSTJUSA-N 1 0 226.320 0.779 10 0 BCAERO CCN(C)C(=O)CC[N@@H+]1CCCNC(=O)[C@H]1C ZINC000189328394 357632180 /nfs/dbraw/zinc/63/21/80/357632180.db2.gz POEQOIYDMABJRR-SNVBAGLBSA-N 1 0 241.335 0.065 10 0 BCAERO C[C@@H]1OCCC[C@@H]1C(=O)NCCC[NH+](C)C ZINC000190329416 357701319 /nfs/dbraw/zinc/70/13/19/357701319.db2.gz KPBWIDBFDVYNOA-QWRGUYRKSA-N 1 0 228.336 0.869 10 0 BCAERO C[C@@H]1OCCC[C@H]1C(=O)NCCC[NH+](C)C ZINC000190329375 357701349 /nfs/dbraw/zinc/70/13/49/357701349.db2.gz KPBWIDBFDVYNOA-WDEREUQCSA-N 1 0 228.336 0.869 10 0 BCAERO CN(C[C@H]1CC[N@H+](C)C1)C(=O)c1cccc(=O)[nH]1 ZINC000234360275 357792326 /nfs/dbraw/zinc/79/23/26/357792326.db2.gz RDWPHUZYYOACDT-JTQLQIEISA-N 1 0 249.314 0.399 10 0 BCAERO Cn1nccc1NC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000085012302 134221009 /nfs/dbraw/zinc/22/10/09/134221009.db2.gz TVOFGUXDVQYTAZ-YUMQZZPRSA-N 1 0 208.265 0.486 10 0 BCAERO CN(C[C@@H]1CC[N@H+](C)C1)C(=O)c1cccc(=O)[nH]1 ZINC000234345418 357790056 /nfs/dbraw/zinc/79/00/56/357790056.db2.gz RDWPHUZYYOACDT-SNVBAGLBSA-N 1 0 249.314 0.399 10 0 BCAERO Cc1ocnc1CNC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000398123731 357844955 /nfs/dbraw/zinc/84/49/55/357844955.db2.gz XYMVYIXIHAIPGW-JTQLQIEISA-N 1 0 237.303 0.989 10 0 BCAERO Cc1ocnc1CNC(=O)C[C@H]1CCC[NH2+]C1 ZINC000398123734 357845427 /nfs/dbraw/zinc/84/54/27/357845427.db2.gz XYMVYIXIHAIPGW-SNVBAGLBSA-N 1 0 237.303 0.989 10 0 BCAERO Cc1noc(C)c1CC(=O)N1C[C@H](C)[C@H]([NH3+])C1 ZINC000235667415 357927342 /nfs/dbraw/zinc/92/73/42/357927342.db2.gz ARLLAMZXQQMXIF-WRWORJQWSA-N 1 0 237.303 0.640 10 0 BCAERO CCC[C@@H](O)CNC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000217956994 357917215 /nfs/dbraw/zinc/91/72/15/357917215.db2.gz VTKRRUPKIXZGLT-WDEREUQCSA-N 1 0 228.336 0.653 10 0 BCAERO CC(C)n1nnnc1CN1CC[C@@H](O)C[C@H]1C ZINC000639942304 357962046 /nfs/dbraw/zinc/96/20/46/357962046.db2.gz YMVOEJFERFSSGW-NXEZZACHSA-N 1 0 239.323 0.599 10 0 BCAERO C[C@@H]1CN(C(=O)c2ccc(N(C)C)nc2)C[C@@H]1[NH3+] ZINC000583756195 357935821 /nfs/dbraw/zinc/93/58/21/357935821.db2.gz SPIMWBUZWHJUAT-KOLCDFICSA-N 1 0 248.330 0.567 10 0 BCAERO C[C@@H]1C[C@H](O)CC[N@@H+]1C[C@@H]1COCCO1 ZINC000639938594 357944650 /nfs/dbraw/zinc/94/46/50/357944650.db2.gz DUNGFFPNUVKSJU-GMTAPVOTSA-N 1 0 215.293 0.247 10 0 BCAERO C[C@H](C[N@@H+]1CC[C@@H](O)C[C@H]1C)CS(C)(=O)=O ZINC000639939712 357948702 /nfs/dbraw/zinc/94/87/02/357948702.db2.gz PWNYZBYQFQXDOT-GMTAPVOTSA-N 1 0 249.376 0.512 10 0 BCAERO CC[C@@H](C)NC(=O)C[N@@H+]1CC[C@@H](O)C[C@H]1C ZINC000639941170 357952765 /nfs/dbraw/zinc/95/27/65/357952765.db2.gz VCHMJEMOFMVONF-GMTAPVOTSA-N 1 0 228.336 0.746 10 0 BCAERO C[C@@H](CO)NC(=O)C1([NH3+])CCCCC1 ZINC000035606053 358005090 /nfs/dbraw/zinc/00/50/90/358005090.db2.gz WQOVUYXUYQDAEJ-QMMMGPOBSA-N 1 0 200.282 0.145 10 0 BCAERO CCN(C)C(=O)CNC(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000219880573 358014771 /nfs/dbraw/zinc/01/47/71/358014771.db2.gz IVLQZINQPUEJPY-UWVGGRQHSA-N 1 0 241.335 0.098 10 0 BCAERO CN1CC[N@H+](CC2(O)CCC2)CC1(C)C ZINC000584537750 358048549 /nfs/dbraw/zinc/04/85/49/358048549.db2.gz UCKXRJFRNJGQOU-UHFFFAOYSA-N 1 0 212.337 0.927 10 0 BCAERO CCn1ncnc1C[NH2+][C@H]1CCCC[C@H]1O ZINC000083978048 491120343 /nfs/dbraw/zinc/12/03/43/491120343.db2.gz SJWNYZCSGBQWMD-VHSXEESVSA-N 1 0 224.308 0.691 10 0 BCAERO CC[C@H](C(N)=O)[N@@H+]1CCS[C@@H](C)C1 ZINC000221539414 358095304 /nfs/dbraw/zinc/09/53/04/358095304.db2.gz OMLASPVSJXLXCK-JGVFFNPUSA-N 1 0 202.323 0.688 10 0 BCAERO C[C@H](O)C[NH2+]C[C@H](O)COCc1ccco1 ZINC000037853034 358095983 /nfs/dbraw/zinc/09/59/83/358095983.db2.gz SRZTXQJQGHEJNU-UWVGGRQHSA-N 1 0 229.276 0.128 10 0 BCAERO COCCC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000171401544 134258246 /nfs/dbraw/zinc/25/82/46/134258246.db2.gz SJMVRGOHUQZIHT-NSHDSACASA-N 1 0 226.320 0.720 10 0 BCAERO CCCNC(=O)[C@@H](C)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171641658 134257525 /nfs/dbraw/zinc/25/75/25/134257525.db2.gz ZZHLYOSPRKNORH-VXGBXAGGSA-N 1 0 239.363 0.681 10 0 BCAERO C[C@H](C(=O)N(C)C)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171641983 134257580 /nfs/dbraw/zinc/25/75/80/134257580.db2.gz SYQFRBMFWZVOKE-GHMZBOCLSA-N 1 0 225.336 0.243 10 0 BCAERO COCCC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000171401541 134257988 /nfs/dbraw/zinc/25/79/88/134257988.db2.gz SJMVRGOHUQZIHT-LLVKDONJSA-N 1 0 226.320 0.720 10 0 BCAERO CCNC(=O)CC[N@@H+]1CCS[C@@H](C)C1 ZINC000171691638 134260008 /nfs/dbraw/zinc/26/00/08/134260008.db2.gz TUDXHDFOPKSTPD-VIFPVBQESA-N 1 0 216.350 0.950 10 0 BCAERO c1cc(CN2CC[C@H]3OCC[NH2+][C@H]3C2)no1 ZINC000584843578 358200288 /nfs/dbraw/zinc/20/02/88/358200288.db2.gz MYESYNNBQHOUPQ-WDEREUQCSA-N 1 0 223.276 0.237 10 0 BCAERO CCCCC[NH2+]C12CN3CN(CN(C3)C1)C2 ZINC000038888686 358206828 /nfs/dbraw/zinc/20/68/28/358206828.db2.gz FIIZKSZGIZPSNN-UHFFFAOYSA-N 1 0 224.352 0.324 10 0 BCAERO CO[C@H](C)CNC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000223753592 358230574 /nfs/dbraw/zinc/23/05/74/358230574.db2.gz CAUVATWHMSVIPD-HRDYMLBCSA-N 1 0 200.282 0.265 10 0 BCAERO Cc1cc(N)cc(C(=O)N2CC[NH2+]CC2)c1 ZINC000082643069 491126224 /nfs/dbraw/zinc/12/62/24/491126224.db2.gz GVLWNJBDLRLYBL-UHFFFAOYSA-N 1 0 219.288 0.623 10 0 BCAERO CO[C@H]1C[NH2+][C@@H](C(=O)N(C)Cc2cccnc2)C1 ZINC000040632050 358244046 /nfs/dbraw/zinc/24/40/46/358244046.db2.gz DTALBMCQQFMZHR-VXGBXAGGSA-N 1 0 249.314 0.417 10 0 BCAERO CO[C@H]1C[NH2+][C@@H](C(=O)NCc2cccnc2)C1 ZINC000040631168 358244138 /nfs/dbraw/zinc/24/41/38/358244138.db2.gz HOTRFBRVLZAOIS-GHMZBOCLSA-N 1 0 235.287 0.075 10 0 BCAERO CO[C@H]1C[NH2+][C@@H](C(=O)N(C)Cc2ccncc2)C1 ZINC000040632058 358244628 /nfs/dbraw/zinc/24/46/28/358244628.db2.gz DQONNSVSLCPFFK-VXGBXAGGSA-N 1 0 249.314 0.417 10 0 BCAERO CO[C@H]1C[NH2+][C@@H](C(=O)NCc2ccc(C)cc2)C1 ZINC000040630739 358244637 /nfs/dbraw/zinc/24/46/37/358244637.db2.gz XVLAUODBFLHFHT-CHWSQXEVSA-N 1 0 248.326 0.988 10 0 BCAERO OC[C@H]1C[C@@H]([NH2+]Cc2ccccc2)C[C@@H]1O ZINC000584603422 358261783 /nfs/dbraw/zinc/26/17/83/358261783.db2.gz VNPLEMQVSWXNII-UPJWGTAASA-N 1 0 221.300 0.908 10 0 BCAERO Cc1c(NC(N)=[NH2+])cccc1NS(C)(=O)=O ZINC000584608340 358269145 /nfs/dbraw/zinc/26/91/45/358269145.db2.gz GIJJTAUGUYNRNS-UHFFFAOYSA-N 1 0 242.304 0.672 10 0 BCAERO COc1cccc(CCN(O)C(N)=[NH2+])c1 ZINC000584644974 358330203 /nfs/dbraw/zinc/33/02/03/358330203.db2.gz CRLDREXJWZUVEM-UHFFFAOYSA-N 1 0 209.249 0.822 10 0 BCAERO CN1CCC[C@@H]1C[NH2+][C@@H]1CCCC[C@H]1O ZINC000226057797 358332585 /nfs/dbraw/zinc/33/25/85/358332585.db2.gz YXIVDUGQFGJFQH-IJLUTSLNSA-N 1 0 212.337 0.974 10 0 BCAERO COC(=O)C[C@](C)([NH3+])c1ccc(OC)nn1 ZINC000584633663 358317474 /nfs/dbraw/zinc/31/74/74/358317474.db2.gz ZAIBYBUWWGEIAI-JTQLQIEISA-N 1 0 225.248 0.222 10 0 BCAERO [NH3+][C@@H]1CN(Cc2ccccc2)S(=O)(=O)C1 ZINC000584636198 358320342 /nfs/dbraw/zinc/32/03/42/358320342.db2.gz SXQJQMFYKJTOHO-SNVBAGLBSA-N 1 0 226.301 0.159 10 0 BCAERO CCCCOC[C@H](O)C[NH2+]C[C@H]1CCCN1C ZINC000226046492 358333170 /nfs/dbraw/zinc/33/31/70/358333170.db2.gz SRZMWBVUJQWRGV-CHWSQXEVSA-N 1 0 244.379 0.848 10 0 BCAERO C[C@@H](C[NH2+][C@@H]1CCCC[C@H]1O)N(C)C ZINC000226228753 358335692 /nfs/dbraw/zinc/33/56/92/358335692.db2.gz HDZZXAGLMHHXAI-HBNTYKKESA-N 1 0 200.326 0.830 10 0 BCAERO C[C@@H](CN1CCOCC1)[NH2+][C@@H]1CCCC[C@H]1O ZINC000226227844 358335824 /nfs/dbraw/zinc/33/58/24/358335824.db2.gz NDDAMVOXJFSUSM-YNEHKIRRSA-N 1 0 242.363 0.600 10 0 BCAERO CN1CCO[C@@H](C[NH2+][C@@H]2CCCC[C@H]2O)C1 ZINC000226233480 358336420 /nfs/dbraw/zinc/33/64/20/358336420.db2.gz LUPDYHQPHGDZIJ-QJPTWQEYSA-N 1 0 228.336 0.210 10 0 BCAERO O=S1(=O)CCC[C@@H]1C[NH2+][C@@H]1CCCC[C@H]1O ZINC000226234519 358336443 /nfs/dbraw/zinc/33/64/43/358336443.db2.gz WDWFQATVKTWBLH-GMTAPVOTSA-N 1 0 247.360 0.457 10 0 BCAERO C[C@@H](C[S@](C)=O)[NH2+][C@@H]1CCCC[C@H]1O ZINC000226237631 358336791 /nfs/dbraw/zinc/33/67/91/358336791.db2.gz LEINKAMVDGVCSK-KSQLKPTDSA-N 1 0 219.350 0.647 10 0 BCAERO COC[C@H](NC(=O)[C@H]1C[C@@H](OC)C[NH2+]1)C(C)C ZINC000226381547 358338587 /nfs/dbraw/zinc/33/85/87/358338587.db2.gz CGOCVOGZYGHEAL-MXWKQRLJSA-N 1 0 244.335 0.151 10 0 BCAERO O=C(C[C@H]1CCC[NH2+]C1)N[C@@H]1CCCC[C@H]1O ZINC000227329311 358354216 /nfs/dbraw/zinc/35/42/16/358354216.db2.gz VMYWRNCQQJCKAK-IJLUTSLNSA-N 1 0 240.347 0.796 10 0 BCAERO Cc1c(CNC(=O)[C@@]2(C)CCC[NH2+]2)cnn1C ZINC000226697689 358342692 /nfs/dbraw/zinc/34/26/92/358342692.db2.gz YDGXMFLGJZLSEK-GFCCVEGCSA-N 1 0 236.319 0.487 10 0 BCAERO CC(C)(CC(N)=O)NC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000227062974 358348023 /nfs/dbraw/zinc/34/80/23/358348023.db2.gz DODHTJZXIRANTD-VIFPVBQESA-N 1 0 241.335 0.146 10 0 BCAERO Cc1cc(N[C@@H](C)C[C@H](C)[NH3+])n2ncnc2n1 ZINC000228270741 358372328 /nfs/dbraw/zinc/37/23/28/358372328.db2.gz GYBCCGOLNCXBPM-YUMQZZPRSA-N 1 0 234.307 0.970 10 0 BCAERO CS[C@H](CO)[C@@H](C)[NH2+]CC(C)(C)O ZINC000228373119 358374524 /nfs/dbraw/zinc/37/45/24/358374524.db2.gz NYNMMEADIDROBP-HTQZYQBOSA-N 1 0 207.339 0.459 10 0 BCAERO CCC1(CNC(=O)[C@H]2C[C@@H](OC)C[NH2+]2)CC1 ZINC000228504035 358377284 /nfs/dbraw/zinc/37/72/84/358377284.db2.gz IOTHDJVQYKACNH-NXEZZACHSA-N 1 0 226.320 0.670 10 0 BCAERO CO[C@H]1C[NH2+][C@@H](C(=O)NCC2(C(C)C)CC2)C1 ZINC000228507560 358377402 /nfs/dbraw/zinc/37/74/02/358377402.db2.gz MSFYKHUVEJAPCC-GHMZBOCLSA-N 1 0 240.347 0.916 10 0 BCAERO CO[C@H]1C[NH2+][C@@H](C(=O)NCC2(C)CCC2)C1 ZINC000228507669 358377758 /nfs/dbraw/zinc/37/77/58/358377758.db2.gz PQTOYBACDYTJSP-NXEZZACHSA-N 1 0 226.320 0.670 10 0 BCAERO COCCCCCNC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000227424990 358356842 /nfs/dbraw/zinc/35/68/42/358356842.db2.gz VFEZZELHGVYMPJ-GHMZBOCLSA-N 1 0 228.336 0.775 10 0 BCAERO COCCCOCC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000180335178 366423979 /nfs/dbraw/zinc/42/39/79/366423979.db2.gz SDXWVGBSEPEUPQ-LLVKDONJSA-N 1 0 244.335 0.202 10 0 BCAERO C[C@H](NC(=O)[C@@]1(C)CCCC[NH2+]1)c1nc[nH]n1 ZINC000227696986 358361614 /nfs/dbraw/zinc/36/16/14/358361614.db2.gz VRJMOYCNKXWDQT-GZMMTYOYSA-N 1 0 237.307 0.514 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)N2CC[C@@H]([NH3+])C[C@@H]2C)O1 ZINC000227703527 358362262 /nfs/dbraw/zinc/36/22/62/358362262.db2.gz CGWZXXMAXSYPNV-LNFKQOIKSA-N 1 0 226.320 0.892 10 0 BCAERO NC(=O)c1ccc(N2CC[NH2+]CC2)cc1Cl ZINC000061845155 181297290 /nfs/dbraw/zinc/29/72/90/181297290.db2.gz ZJLIYOCINAWIHX-UHFFFAOYSA-N 1 0 239.706 0.849 10 0 BCAERO CCCCOC[C@@H](O)C[NH2+]C[C@H](C)O ZINC000227888842 358365080 /nfs/dbraw/zinc/36/50/80/358365080.db2.gz LKMGIOXJHJXIEV-UWVGGRQHSA-N 1 0 205.298 0.134 10 0 BCAERO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1C(=O)N1CCC[C@H]1C[NH3+] ZINC000252685858 366428197 /nfs/dbraw/zinc/42/81/97/366428197.db2.gz WEARYNLDVSXQAB-HHHUOAJASA-N 1 0 240.347 0.996 10 0 BCAERO CCCCOC[C@H](O)C[NH2+]C[C@H](C)N(C)C ZINC000227891468 358365393 /nfs/dbraw/zinc/36/53/93/358365393.db2.gz PBIYYOSPWIWEET-NWDGAFQWSA-N 1 0 232.368 0.704 10 0 BCAERO CCO[C@@H]1C[C@@H]1C(=O)N1CCC[C@H]([NH2+]C)C1 ZINC000178607192 535424754 /nfs/dbraw/zinc/42/47/54/535424754.db2.gz IUWDDVJAHQVNPF-GARJFASQSA-N 1 0 226.320 0.622 10 0 BCAERO C[C@H](NC(=O)[C@@H]1CC[NH2+]C1)c1cn[nH]c1 ZINC000229705881 358406858 /nfs/dbraw/zinc/40/68/58/358406858.db2.gz CEOMQQWASZAINF-JGVFFNPUSA-N 1 0 208.265 0.196 10 0 BCAERO COC(=O)CCN1CCCC[C@H]1C[NH3+] ZINC000044559187 358391039 /nfs/dbraw/zinc/39/10/39/358391039.db2.gz IPLBJLHXUXYABO-VIFPVBQESA-N 1 0 200.282 0.363 10 0 BCAERO OCCOCCC[NH2+][C@@H]1CCCC[C@H]1O ZINC000230787552 358410734 /nfs/dbraw/zinc/41/07/34/358410734.db2.gz XQFQEMGCQXJZRE-GHMZBOCLSA-N 1 0 217.309 0.279 10 0 BCAERO COCCOCC[NH2+][C@@H]1CCCC[C@H]1O ZINC000044725210 358392343 /nfs/dbraw/zinc/39/23/43/358392343.db2.gz KDTVZUWRBDIWMS-GHMZBOCLSA-N 1 0 217.309 0.543 10 0 BCAERO C[NH2+][C@H](C)C(=O)N1CC[C@H](C)[C@@H](OC)C1 ZINC000230242999 358395858 /nfs/dbraw/zinc/39/58/58/358395858.db2.gz FENMNCWGHBEDSC-AEJSXWLSSA-N 1 0 214.309 0.478 10 0 BCAERO CNC(=O)C(C)(C)CNC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000230393921 358398839 /nfs/dbraw/zinc/39/88/39/358398839.db2.gz AQITZEXVTOQYNI-DTWKUNHWSA-N 1 0 241.335 0.002 10 0 BCAERO C[C@@H](NC(=O)C[C@H]1CCC[NH2+]C1)c1nc[nH]n1 ZINC000230428687 358400530 /nfs/dbraw/zinc/40/05/30/358400530.db2.gz OCZRUEXWOSBBED-RKDXNWHRSA-N 1 0 237.307 0.372 10 0 BCAERO OC[C@H]1CN(CCC[C@H]2CCOC2)CCO1 ZINC000400502048 491132842 /nfs/dbraw/zinc/13/28/42/491132842.db2.gz HEUKNPWLMTWSJW-NWDGAFQWSA-N 1 0 229.320 0.496 10 0 BCAERO CCN1CCO[C@H](C[NH2+][C@H]2CCOC[C@@H]2C)C1 ZINC000302028940 491133162 /nfs/dbraw/zinc/13/31/62/491133162.db2.gz HIHNJVNAPPPPHU-XQQFMLRXSA-N 1 0 242.363 0.722 10 0 BCAERO CC(C)NC(=O)CC[NH2+][C@@H]1CCC(=O)N[C@@H]1C ZINC000392919996 259480135 /nfs/dbraw/zinc/48/01/35/259480135.db2.gz JEQKTNUTOHLOJB-NXEZZACHSA-N 1 0 241.335 0.158 10 0 BCAERO CCc1cnc(CNC(=O)[C@@H]2C[NH2+]C[C@H]2C)o1 ZINC000231646159 358417594 /nfs/dbraw/zinc/41/75/94/358417594.db2.gz PUFVZBDVENESTA-PSASIEDQSA-N 1 0 237.303 0.709 10 0 BCAERO CCc1cnc(CNC(=O)[C@H]2CC[NH2+]C2)o1 ZINC000231645037 358417601 /nfs/dbraw/zinc/41/76/01/358417601.db2.gz GQCQQBRKXYFIFS-QMMMGPOBSA-N 1 0 223.276 0.463 10 0 BCAERO C[NH2+][C@H](C)C(=O)N1CC[C@H](C)[C@H](OC)C1 ZINC000299904348 358420922 /nfs/dbraw/zinc/42/09/22/358420922.db2.gz FENMNCWGHBEDSC-IVZWLZJFSA-N 1 0 214.309 0.478 10 0 BCAERO CC[C@H](C)NC(=O)C[NH2+][C@H]1CCC(=O)N[C@@H]1C ZINC000392949667 259480313 /nfs/dbraw/zinc/48/03/13/259480313.db2.gz ZFISJHMMGYINTE-AEJSXWLSSA-N 1 0 241.335 0.158 10 0 BCAERO O=C(NC1C[NH2+]C1)[C@H]1CC1(Cl)Cl ZINC000237798797 358602152 /nfs/dbraw/zinc/60/21/52/358602152.db2.gz CXCBGOOAVJQQAH-RXMQYKEDSA-N 1 0 209.076 0.268 10 0 BCAERO CCN1CCC[C@@H]([NH2+]Cc2cnnn2C)C1 ZINC000129724089 358595350 /nfs/dbraw/zinc/59/53/50/358595350.db2.gz ZUTOCSCENQIOJG-SNVBAGLBSA-N 1 0 223.324 0.389 10 0 BCAERO NC(=O)c1ccc(NC2CC[NH2+]CC2)nc1 ZINC000036962410 181298388 /nfs/dbraw/zinc/29/83/88/181298388.db2.gz JQEBMYAIKZOFTM-UHFFFAOYSA-N 1 0 220.276 0.344 10 0 BCAERO C[C@H]1[NH2+]CC[C@H]1C(=O)N=S(C)(C)=O ZINC000306149313 358759796 /nfs/dbraw/zinc/75/97/96/358759796.db2.gz DRYCCMRRTLNWMR-RNFRBKRXSA-N 1 0 204.295 0.239 10 0 BCAERO CC(C)(O)C[NH+]1CCC(OCCO)CC1 ZINC000133684782 358763447 /nfs/dbraw/zinc/76/34/47/358763447.db2.gz FOLYYKTWTDZURW-UHFFFAOYSA-N 1 0 217.309 0.231 10 0 BCAERO CCN(C)C(=O)CNC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000219858662 134292229 /nfs/dbraw/zinc/29/22/29/134292229.db2.gz NINOBKAYOHLYIG-GFCCVEGCSA-N 1 0 241.335 0.113 10 0 BCAERO C[C@H](CS(C)(=O)=O)[NH2+][C@H]1CCC[C@H](O)C1 ZINC000081900449 491136958 /nfs/dbraw/zinc/13/69/58/491136958.db2.gz VTKYDNSPLCFKLR-UTLUCORTSA-N 1 0 235.349 0.313 10 0 BCAERO Cc1nnc2c(N[C@@H](C)CC[NH3+])nccn12 ZINC000134275898 358785664 /nfs/dbraw/zinc/78/56/64/358785664.db2.gz HUAHRXCPENCAGN-ZETCQYMHSA-N 1 0 220.280 0.582 10 0 BCAERO O=C(C[N@H+]1CCC[C@@H]1CCCO)NCC1CC1 ZINC000052762329 358792550 /nfs/dbraw/zinc/79/25/50/358792550.db2.gz AXAYIFYEWMFJLZ-GFCCVEGCSA-N 1 0 240.347 0.750 10 0 BCAERO O=C(C[N@H+]1CCC[C@H]1CCCO)N1CCCC1 ZINC000052762292 358792691 /nfs/dbraw/zinc/79/26/91/358792691.db2.gz SODSXVZHGHYYPH-LBPRGKRZSA-N 1 0 240.347 0.846 10 0 BCAERO CC[C@@H](O)C[N@@H+]1CCCN(C)C[C@H]1C ZINC000300354403 358971529 /nfs/dbraw/zinc/97/15/29/358971529.db2.gz GNLKPFVPNPXHFY-GHMZBOCLSA-N 1 0 200.326 0.783 10 0 BCAERO C[C@@H]1CN(C)CC[N@@H+]1C[C@H]1CCCC1=O ZINC000300355363 358971693 /nfs/dbraw/zinc/97/16/93/358971693.db2.gz OBHCLYGDVLUGLA-GHMZBOCLSA-N 1 0 210.321 0.992 10 0 BCAERO CC[C@@H](C(N)=S)[N@@H+]1CCN(C)C[C@H]1C ZINC000300355085 358971989 /nfs/dbraw/zinc/97/19/89/358971989.db2.gz GPLIWKGKPWTQGP-BDAKNGLRSA-N 1 0 215.366 0.687 10 0 BCAERO CC(C)(F)C(=O)NC1(C)CC[NH2+]CC1 ZINC000306167300 358977043 /nfs/dbraw/zinc/97/70/43/358977043.db2.gz PMVATRYUJJYUHJ-UHFFFAOYSA-N 1 0 202.273 0.993 10 0 BCAERO C[C@@H]1OCC[C@@H]1[S@](=O)[C@@H]1CC[NH2+]C1 ZINC000306154280 358940230 /nfs/dbraw/zinc/94/02/30/358940230.db2.gz KFQLFNPUXMETSO-QRIDJOKKSA-N 1 0 203.307 0.274 10 0 BCAERO C[NH2+][C@@]1(C(N)=O)COc2ccccc2C1 ZINC000306154453 358940315 /nfs/dbraw/zinc/94/03/15/358940315.db2.gz BGQAZXHXGPACBB-LLVKDONJSA-N 1 0 206.245 0.065 10 0 BCAERO C[NH2+][C@H](C)C(=O)N[C@@]1(C)CCO[C@H]1C ZINC000300363478 358977478 /nfs/dbraw/zinc/97/74/78/358977478.db2.gz DOQRVFYEFWNJJE-WEDXCCLWSA-N 1 0 200.282 0.278 10 0 BCAERO COc1ncc([C@]2(O)CC[NH2+]C2)s1 ZINC000306157416 358949387 /nfs/dbraw/zinc/94/93/87/358949387.db2.gz IWAUCKUJECADIA-QMMMGPOBSA-N 1 0 200.263 0.333 10 0 BCAERO C[C@H]1[C@H]([NH2+]C2CCC2)CCS1(=O)=O ZINC000306192112 359019957 /nfs/dbraw/zinc/01/99/57/359019957.db2.gz RQWLNNYQVPAUKH-IONNQARKSA-N 1 0 203.307 0.704 10 0 BCAERO Cc1ncc(Br)c(N2CC([NH3+])C2)n1 ZINC000306197688 359025558 /nfs/dbraw/zinc/02/55/58/359025558.db2.gz OFJAFTCBRWYMFQ-UHFFFAOYSA-N 1 0 243.108 0.695 10 0 BCAERO CCC(=[NH2+])N[C@@H]1CCS(=O)(=O)[C@@H]1C ZINC000306175953 358983702 /nfs/dbraw/zinc/98/37/02/358983702.db2.gz VRAIOCKINBJDHU-RNFRBKRXSA-N 1 0 204.295 0.539 10 0 BCAERO C[C@@H]1CS(=O)(=O)C[C@H]1[NH2+]C1CSC1 ZINC000306182687 359000877 /nfs/dbraw/zinc/00/08/77/359000877.db2.gz YAKXMDQZQUHFPO-HTRCEHHLSA-N 1 0 221.347 0.125 10 0 BCAERO NC(=O)c1ccc(N[C@@H]2CC[NH2+]C2)cc1 ZINC000052093740 181299760 /nfs/dbraw/zinc/29/97/60/181299760.db2.gz GVUMSYXEYFJKCD-SNVBAGLBSA-N 1 0 205.261 0.559 10 0 BCAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)COC ZINC000246977087 359180223 /nfs/dbraw/zinc/18/02/23/359180223.db2.gz NZKGOTNGGUSMKM-MNOVXSKESA-N 1 0 226.320 0.718 10 0 BCAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@H]1CCOC1 ZINC000247094192 359193891 /nfs/dbraw/zinc/19/38/91/359193891.db2.gz IFZLNOAMUNCSFD-GRYCIOLGSA-N 1 0 238.331 0.718 10 0 BCAERO CCOC[C@H](O)CN1CC[N@@H+]2CCCC[C@H]2C1 ZINC000246615484 359151387 /nfs/dbraw/zinc/15/13/87/359151387.db2.gz XGUQMSKIRBPKGJ-QWHCGFSZSA-N 1 0 242.363 0.554 10 0 BCAERO CC(=O)NCCCN1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000246794086 359165063 /nfs/dbraw/zinc/16/50/63/359165063.db2.gz BOAHIJAJXBAPMA-AAEUAGOBSA-N 1 0 239.363 0.681 10 0 BCAERO COCCNC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000246790498 359165151 /nfs/dbraw/zinc/16/51/51/359165151.db2.gz BLOLHHIQNFKBRX-QWRGUYRKSA-N 1 0 241.335 0.511 10 0 BCAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1nccc(N)n1 ZINC000246809966 359166695 /nfs/dbraw/zinc/16/66/95/359166695.db2.gz NHAZSJLUZVAEBU-QWRGUYRKSA-N 1 0 247.346 0.727 10 0 BCAERO CC[C@H](O)C[N@@H+]1CCC[C@@H](n2cncn2)C1 ZINC000247772434 359244425 /nfs/dbraw/zinc/24/44/25/359244425.db2.gz POEQLHPMZPKWNN-MNOVXSKESA-N 1 0 224.308 0.686 10 0 BCAERO CCC[N@@H+]1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000247157567 359198080 /nfs/dbraw/zinc/19/80/80/359198080.db2.gz LZLLHLJFNSDPPW-MNOVXSKESA-N 1 0 200.326 0.783 10 0 BCAERO COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1CCO ZINC000248369499 359271822 /nfs/dbraw/zinc/27/18/22/359271822.db2.gz WILSIJNSRUKRLP-MXWKQRLJSA-N 1 0 227.304 0.785 10 0 BCAERO O[C@@H]1COCC[C@@H]1[NH2+]Cc1cn2ccccc2n1 ZINC000623764325 359341175 /nfs/dbraw/zinc/34/11/75/359341175.db2.gz CCAAMTAYWBAMPE-NWDGAFQWSA-N 1 0 247.298 0.574 10 0 BCAERO C[NH2+][C@]1(C(=O)NC(C)(C)C)CCOC1 ZINC000306224526 359349344 /nfs/dbraw/zinc/34/93/44/359349344.db2.gz DQBRMAOWSUBMGD-SNVBAGLBSA-N 1 0 200.282 0.280 10 0 BCAERO CC1(C)CN(S(=O)(=O)[C@H]2CC[NH2+]C2)C1 ZINC000306245489 359429593 /nfs/dbraw/zinc/42/95/93/359429593.db2.gz QKEXMHFMSAVVAQ-QMMMGPOBSA-N 1 0 218.322 0.020 10 0 BCAERO Oc1cccc(CN2CC[C@@H]3OCC[NH2+][C@H]3C2)c1 ZINC000404256736 359390121 /nfs/dbraw/zinc/39/01/21/359390121.db2.gz MGCWKRGJDDTEOG-KBPBESRZSA-N 1 0 248.326 0.955 10 0 BCAERO O=C1NCCC[C@@H]1[NH2+]C[C@H]1CCCS1 ZINC000306234628 359392113 /nfs/dbraw/zinc/39/21/13/359392113.db2.gz GABCBKFRQHSAMC-BDAKNGLRSA-N 1 0 214.334 0.750 10 0 BCAERO O=C1NCCC[C@H]1[NH2+]C[C@@H]1CCCS1 ZINC000306234629 359392248 /nfs/dbraw/zinc/39/22/48/359392248.db2.gz GABCBKFRQHSAMC-DTWKUNHWSA-N 1 0 214.334 0.750 10 0 BCAERO C[C@]1(O)CC[N@H+](C[C@@H]2CCOCO2)C1 ZINC000226202759 359439985 /nfs/dbraw/zinc/43/99/85/359439985.db2.gz SNXJWMLGYFWZFK-UWVGGRQHSA-N 1 0 201.266 0.206 10 0 BCAERO C[C@@H]1SCC[C@@H]1NC(=O)C1C[NH2+]C1 ZINC000306260707 359479644 /nfs/dbraw/zinc/47/96/44/359479644.db2.gz VEZUPOYMUWXSIP-XPUUQOCRSA-N 1 0 200.307 0.216 10 0 BCAERO [NH3+]C1CN(C(=O)c2sccc2F)C1 ZINC000306254906 359460301 /nfs/dbraw/zinc/46/03/01/359460301.db2.gz VDJWHYYXUJCCLH-UHFFFAOYSA-N 1 0 200.238 0.670 10 0 BCAERO C[NH2+][C@@]1(CO)CCO[C@@H](C(F)(F)F)C1 ZINC000306252393 359460325 /nfs/dbraw/zinc/46/03/25/359460325.db2.gz VGWBYXZTDLOTMP-RQJHMYQMSA-N 1 0 213.199 0.678 10 0 BCAERO CS(C)(=O)=NC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000306258611 359475046 /nfs/dbraw/zinc/47/50/46/359475046.db2.gz SBYKZZMTJUEILJ-HTQZYQBOSA-N 1 0 218.322 0.616 10 0 BCAERO CN1C[C@@H](NC(=[NH2+])NCc2ccccc2)CC1=O ZINC000306278196 359510164 /nfs/dbraw/zinc/51/01/64/359510164.db2.gz PPYICQFDKSAQQW-NSHDSACASA-N 1 0 246.314 0.531 10 0 BCAERO C1[NH2+]CC1N1CCCC[C@@H]1C1OCCO1 ZINC000306286113 359518111 /nfs/dbraw/zinc/51/81/11/359518111.db2.gz DCWJPQDXWXTVKR-SNVBAGLBSA-N 1 0 212.293 0.186 10 0 BCAERO OC1(C2C[NH2+]C2)CCC2(CC1)OCCO2 ZINC000306300210 359542760 /nfs/dbraw/zinc/54/27/60/359542760.db2.gz SFDRSDMDOVXMAE-UHFFFAOYSA-N 1 0 213.277 0.254 10 0 BCAERO CN1CCO[C@H](C[NH2+]CC2(F)CC2)C1 ZINC000379566275 359545205 /nfs/dbraw/zinc/54/52/05/359545205.db2.gz CMKRHUFDLLXIFX-SECBINFHSA-N 1 0 202.273 0.409 10 0 BCAERO O=C(Nc1n[nH]cc1Br)C1C[NH2+]C1 ZINC000306302212 359581286 /nfs/dbraw/zinc/58/12/86/359581286.db2.gz MWGLYLHYSQVMMC-UHFFFAOYSA-N 1 0 245.080 0.330 10 0 BCAERO C[C@H]1CN(C(=O)[C@@H]2CCCO2)CC[C@@H]1[NH3+] ZINC000086885610 359585134 /nfs/dbraw/zinc/58/51/34/359585134.db2.gz DXLVZTBHGHIDMJ-GUBZILKMSA-N 1 0 212.293 0.361 10 0 BCAERO C[C@@H](O[C@@H]1CC[NH2+]CC1(C)C)C(N)=O ZINC000306317045 359597622 /nfs/dbraw/zinc/59/76/22/359597622.db2.gz SKPMOSNCTOUYBG-HTQZYQBOSA-N 1 0 200.282 0.265 10 0 BCAERO [NH2+]=C(NO)N1CCC=C(Br)C1 ZINC000404392646 359606545 /nfs/dbraw/zinc/60/65/45/359606545.db2.gz NSINNFOSPBUASB-UHFFFAOYSA-N 1 0 220.070 0.884 10 0 BCAERO CCOC(=O)[C@@]1(O)CC[N@@H+]2CCCC[C@H]21 ZINC000228272906 359623144 /nfs/dbraw/zinc/62/31/44/359623144.db2.gz OOXKQKAMBNTFIS-GXSJLCMTSA-N 1 0 213.277 0.539 10 0 BCAERO Cc1ccoc1C[NH2+][C@@H]1CCOC[C@@H]1O ZINC000623764932 359632365 /nfs/dbraw/zinc/63/23/65/359632365.db2.gz LRPSESUBONIIKX-ZJUUUORDSA-N 1 0 211.261 0.827 10 0 BCAERO CCCn1cc(C[NH2+][C@@H]2CCOC[C@@H]2O)cn1 ZINC000623764871 359632663 /nfs/dbraw/zinc/63/26/63/359632663.db2.gz LFBAFZKVUAFJME-NEPJUHHUSA-N 1 0 239.319 0.533 10 0 BCAERO N[C@H](CO)C[NH+]1CCCCCCCC1 ZINC000306331779 359632962 /nfs/dbraw/zinc/63/29/62/359632962.db2.gz COYYGJJPSUWPLF-NSHDSACASA-N 1 0 200.326 0.962 10 0 BCAERO N[C@@H](CO)C[NH+]1CCCCCCCC1 ZINC000306331771 359633236 /nfs/dbraw/zinc/63/32/36/359633236.db2.gz COYYGJJPSUWPLF-LLVKDONJSA-N 1 0 200.326 0.962 10 0 BCAERO CNC(=O)c1cc(NN)[nH+]cc1Br ZINC000306334510 359634986 /nfs/dbraw/zinc/63/49/86/359634986.db2.gz RKXOFJZPAPBVEO-UHFFFAOYSA-N 1 0 245.080 0.489 10 0 BCAERO CCOC(=O)CCNC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089461147 359645986 /nfs/dbraw/zinc/64/59/86/359645986.db2.gz ADUIFLXVNVSQDZ-NXEZZACHSA-N 1 0 242.319 0.431 10 0 BCAERO O=C(N[C@@H]1CCCSC1)[C@H]1CC[NH2+]1 ZINC000306351284 359678039 /nfs/dbraw/zinc/67/80/39/359678039.db2.gz XFWFJGUUGXRRTL-HTQZYQBOSA-N 1 0 200.307 0.360 10 0 BCAERO C[C@H](C[N@@H+]1CCC[C@@H](O)CC1)C(N)=S ZINC000306372090 359705333 /nfs/dbraw/zinc/70/53/33/359705333.db2.gz CQTHDQPCHSWRPE-RKDXNWHRSA-N 1 0 216.350 0.755 10 0 BCAERO C[C@@H](C[N@@H+]1CCC[C@@H](O)CC1)C(N)=S ZINC000306371291 359705983 /nfs/dbraw/zinc/70/59/83/359705983.db2.gz CQTHDQPCHSWRPE-DTWKUNHWSA-N 1 0 216.350 0.755 10 0 BCAERO CC[C@@H]([NH3+])C(=O)N[C@H]1COCC1(C)C ZINC000306376105 359711085 /nfs/dbraw/zinc/71/10/85/359711085.db2.gz QUIXFBWSHIWUDE-SFYZADRCSA-N 1 0 200.282 0.265 10 0 BCAERO CC[C@@H]1CSC2(COCCOC2)[NH2+]1 ZINC000306390657 359754081 /nfs/dbraw/zinc/75/40/81/359754081.db2.gz WPAIAVKKQBYWIG-MRVPVSSYSA-N 1 0 203.307 0.845 10 0 BCAERO C[C@@H]1COC[C@@H](CC(=O)[C@@H]2CCOC2)[NH2+]1 ZINC000130384485 359721873 /nfs/dbraw/zinc/72/18/73/359721873.db2.gz JVHHWUMDQHHYPP-OPRDCNLKSA-N 1 0 213.277 0.359 10 0 BCAERO O=C1CCOC[C@@H]1C[N@H+]1CCC[C@@H](O)C1 ZINC000231308094 359733648 /nfs/dbraw/zinc/73/36/48/359733648.db2.gz CTNDAFWCDWJUBA-VHSXEESVSA-N 1 0 213.277 0.049 10 0 BCAERO CNC(=O)c1c[nH+]c(NN)c(Br)c1 ZINC000306383352 359735467 /nfs/dbraw/zinc/73/54/67/359735467.db2.gz CBHWIODEZVSAGF-UHFFFAOYSA-N 1 0 245.080 0.489 10 0 BCAERO CNC(=S)N1C[C@@H](C)[C@@H]([NH+](C)C)C1 ZINC000130398486 359747054 /nfs/dbraw/zinc/74/70/54/359747054.db2.gz GYEMUEUOSYCXOU-SFYZADRCSA-N 1 0 201.339 0.373 10 0 BCAERO C[C@@H]([NH3+])[C@@H]1CN(c2ncns2)CCO1 ZINC000169202202 359775238 /nfs/dbraw/zinc/77/52/38/359775238.db2.gz UXCCZHLTIAHTGK-RQJHMYQMSA-N 1 0 214.294 0.091 10 0 BCAERO CCN1CCC[N@H+](CC(N)=S)CC1 ZINC000306429710 359882545 /nfs/dbraw/zinc/88/25/45/359882545.db2.gz DGVWNZYWOZIANB-UHFFFAOYSA-N 1 0 201.339 0.300 10 0 BCAERO C[C@H]1CN(S(C)(=O)=O)CC[C@H]1[NH2+]CCF ZINC000309160230 491145741 /nfs/dbraw/zinc/14/57/41/491145741.db2.gz YQWDGLHMRHVUAX-DTWKUNHWSA-N 1 0 238.328 0.216 10 0 BCAERO O=C(NC[C@H]1CCCS1)[C@@H]1CC[NH2+]C1 ZINC000087668337 359923517 /nfs/dbraw/zinc/92/35/17/359923517.db2.gz IJLHHXDUSNCODR-RKDXNWHRSA-N 1 0 214.334 0.608 10 0 BCAERO CC(F)(F)CC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000306446070 360008802 /nfs/dbraw/zinc/00/88/02/360008802.db2.gz UMMCMCNIQFVTPJ-MRVPVSSYSA-N 1 0 206.236 0.900 10 0 BCAERO C[C@H]1CCN(C(=O)C2CCOCC2)C[C@H]1[NH3+] ZINC000069719291 360027384 /nfs/dbraw/zinc/02/73/84/360027384.db2.gz SRTIGUFQCAUMNQ-GXSJLCMTSA-N 1 0 226.320 0.609 10 0 BCAERO C[C@H]1CN(C(=O)c2cncc(O)c2)C[C@H]1[NH+](C)C ZINC000089710425 360035435 /nfs/dbraw/zinc/03/54/35/360035435.db2.gz LDYYSUHECOAUJX-JOYOIKCWSA-N 1 0 249.314 0.809 10 0 BCAERO Cn1nnc(Br)c1[C@@H](O)C(C)(C)[NH3+] ZINC000306440825 360005817 /nfs/dbraw/zinc/00/58/17/360005817.db2.gz RAXXRYBYPONTKK-RXMQYKEDSA-N 1 0 249.112 0.348 10 0 BCAERO CC(C)n1ncnc1C(=O)C1([NH3+])CCC1 ZINC000306472716 360100335 /nfs/dbraw/zinc/10/03/35/360100335.db2.gz TXTSYXYAGRGZGS-UHFFFAOYSA-N 1 0 208.265 0.923 10 0 BCAERO NC(=O)c1ccc(N[C@@H]2CCCC[C@H]2[NH3+])nc1 ZINC000038050975 181299882 /nfs/dbraw/zinc/29/98/82/181299882.db2.gz IKVNEICVHAGAJS-NXEZZACHSA-N 1 0 234.303 0.862 10 0 BCAERO C[C@]1(C[NH2+][C@@H]2CCNC2=O)CCCS1 ZINC000306465642 360078941 /nfs/dbraw/zinc/07/89/41/360078941.db2.gz JZWPUZTYMFMURJ-PSASIEDQSA-N 1 0 214.334 0.750 10 0 BCAERO CC[C@@H]([NH3+])C(=O)Nc1cc(Cl)[nH]n1 ZINC000306469749 360087633 /nfs/dbraw/zinc/08/76/33/360087633.db2.gz PVJYJFYOSPLWKT-SCSAIBSYSA-N 1 0 202.645 0.739 10 0 BCAERO CC[C@H](C(N)=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000090824809 360090750 /nfs/dbraw/zinc/09/07/50/360090750.db2.gz CKWOHVXBSFQGAT-GHMZBOCLSA-N 1 0 225.336 0.420 10 0 BCAERO CCN1CCO[C@H](C(=O)c2ccc[nH]2)C1 ZINC000306476091 360110340 /nfs/dbraw/zinc/11/03/40/360110340.db2.gz XNTAQAIIXHAPJX-JTQLQIEISA-N 1 0 208.261 0.918 10 0 BCAERO C[C@@H](CN1CCOCC1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000091506517 360118037 /nfs/dbraw/zinc/11/80/37/360118037.db2.gz ZCJPFRBWTMNZQP-YNEHKIRRSA-N 1 0 242.363 0.816 10 0 BCAERO CO[C@]1(C)CC[N@@H+]([C@H](C)C(N)=S)C1 ZINC000306488892 360190264 /nfs/dbraw/zinc/19/02/64/360190264.db2.gz VWTAJLBZDSLMEP-VXNVDRBHSA-N 1 0 202.323 0.772 10 0 BCAERO C[NH2+]C[C@H]1CCN(C)[C@H]1c1csnn1 ZINC000306496062 360222952 /nfs/dbraw/zinc/22/29/52/360222952.db2.gz WQPAYYIRARKRQA-VXNVDRBHSA-N 1 0 212.322 0.750 10 0 BCAERO CON(C)C(=O)[C@]1([NH3+])CCCC[C@H]1C ZINC000306496699 360224186 /nfs/dbraw/zinc/22/41/86/360224186.db2.gz FBWXXBPGZYOMIF-SCZZXKLOSA-N 1 0 200.282 0.914 10 0 BCAERO CON(C)C(=O)[C@@]1([NH3+])CCCC[C@H]1C ZINC000306496698 360224837 /nfs/dbraw/zinc/22/48/37/360224837.db2.gz FBWXXBPGZYOMIF-PSASIEDQSA-N 1 0 200.282 0.914 10 0 BCAERO COc1ncc([C@]2(O)CC[C@@H]([NH3+])C2)s1 ZINC000306496316 360224867 /nfs/dbraw/zinc/22/48/67/360224867.db2.gz XJAPCKVOYOZNPS-MUWHJKNJSA-N 1 0 214.290 0.851 10 0 BCAERO Cc1ncsc1[C@@H](C)NC(=O)[C@@H](C)[NH3+] ZINC000306498033 360233694 /nfs/dbraw/zinc/23/36/94/360233694.db2.gz SMFXRNLPNWVJBS-IYSWYEEDSA-N 1 0 213.306 0.976 10 0 BCAERO COC(=O)CCCN(C)C(=O)[C@@]1(C)CCC[NH2+]1 ZINC000079517482 370667576 /nfs/dbraw/zinc/66/75/76/370667576.db2.gz RYXOLHBDNJWIEK-GFCCVEGCSA-N 1 0 242.319 0.540 10 0 BCAERO C[NH2+]C1(C(=O)Nc2nnns2)CCC1 ZINC000306498765 360257679 /nfs/dbraw/zinc/25/76/79/360257679.db2.gz GVBKMNCGWFSUBM-UHFFFAOYSA-N 1 0 213.266 0.014 10 0 BCAERO [NH3+][C@@H]1CCCN([C@@H]2CCSC2)C1=O ZINC000231418881 360274382 /nfs/dbraw/zinc/27/43/82/360274382.db2.gz HXHINEOEFXDETF-HTQZYQBOSA-N 1 0 200.307 0.442 10 0 BCAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1nc[nH]n1 ZINC000095042498 360333803 /nfs/dbraw/zinc/33/38/03/360333803.db2.gz OSSNIGKTPRQYFT-SECBINFHSA-N 1 0 237.307 0.361 10 0 BCAERO CC[C@@]1(C(=O)c2cn(C)nn2)CC[NH2+]C1 ZINC000306515524 360342764 /nfs/dbraw/zinc/34/27/64/360342764.db2.gz DNEKRIYUOJWGRU-SNVBAGLBSA-N 1 0 208.265 0.388 10 0 BCAERO COC(=O)[C@H](C1CC1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000094461785 360308419 /nfs/dbraw/zinc/30/84/19/360308419.db2.gz MNQMTQMDWDGBOI-NEPJUHHUSA-N 1 0 238.331 0.718 10 0 BCAERO Cc1cc(N[C@H](C)CCC[NH3+])n2ncnc2n1 ZINC000094948127 360328392 /nfs/dbraw/zinc/32/83/92/360328392.db2.gz SBSKDCNFXAISSV-MRVPVSSYSA-N 1 0 234.307 0.972 10 0 BCAERO CC1(C)C[N@H+](CCON)[C@H]2COC[C@@H]21 ZINC000306523123 360360700 /nfs/dbraw/zinc/36/07/00/360360700.db2.gz RQTWHZGDSCZUCN-IUCAKERBSA-N 1 0 200.282 0.234 10 0 BCAERO CSc1ccnc(N2CC(C[NH3+])C2)n1 ZINC000306522938 360365220 /nfs/dbraw/zinc/36/52/20/360365220.db2.gz QWAWOMIBKBPBOQ-UHFFFAOYSA-N 1 0 210.306 0.593 10 0 BCAERO C[C@H]1[C@H](N(C)C)CC[N@@H+]1C(C)(C)CO ZINC000306536255 360399771 /nfs/dbraw/zinc/39/97/71/360399771.db2.gz GYPSSDTTXGKRTA-VHSXEESVSA-N 1 0 200.326 0.782 10 0 BCAERO C[C@H]1[C@@H]([NH3+])CCCN1Cc1cnns1 ZINC000306524327 360368215 /nfs/dbraw/zinc/36/82/15/360368215.db2.gz ADTUPTCEFUQZCU-CBAPKCEASA-N 1 0 212.322 0.850 10 0 BCAERO [NH3+][C@@H]1CCC2(C[C@H]1[N@@H+]1C[C@@H]3C[C@@H]3C1)OCCO2 ZINC000306532131 360390840 /nfs/dbraw/zinc/39/08/40/360390840.db2.gz BGBPWDPQBXUIDQ-WRWGMCAJSA-N 1 0 238.331 0.561 10 0 BCAERO C[C@@H]1CN([C@H]2CC[C@H]([NH3+])C2)S(=O)(=O)C1 ZINC000306532657 360392300 /nfs/dbraw/zinc/39/23/00/360392300.db2.gz BYAAQEDPEBKORA-VGMNWLOBSA-N 1 0 218.322 0.148 10 0 BCAERO COC1CN([C@@H]2C[NH2+]C[C@@H]2SC)C1 ZINC000306533653 360394571 /nfs/dbraw/zinc/39/45/71/360394571.db2.gz NQKSXSOBVLBKSQ-BDAKNGLRSA-N 1 0 202.323 0.020 10 0 BCAERO C[NH2+][C@H](c1nncn1C)[C@H]1CCSC1 ZINC000306562596 360438854 /nfs/dbraw/zinc/43/88/54/360438854.db2.gz OGMRPXRQJADMBZ-YUMQZZPRSA-N 1 0 212.322 0.829 10 0 BCAERO C[C@@H]([NH3+])/C=C/c1c(Br)nnn1C ZINC000306541062 360410491 /nfs/dbraw/zinc/41/04/91/360410491.db2.gz XDGRQZWBLWSVGX-QLSVQJPWSA-N 1 0 231.097 0.938 10 0 BCAERO C[C@H](C[C@H](C)[NH3+])N1CCCS1(=O)=O ZINC000306544371 360414524 /nfs/dbraw/zinc/41/45/24/360414524.db2.gz UXGGTAHIABMITH-JGVFFNPUSA-N 1 0 206.311 0.148 10 0 BCAERO CC[S@](=O)CC1(O)C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000306546213 360416578 /nfs/dbraw/zinc/41/65/78/360416578.db2.gz AHJLKRMAHAEOAT-KSEQJQSQSA-N 1 0 217.334 0.401 10 0 BCAERO C[C@@H]1CN(c2ncns2)C[C@]1(C)C[NH3+] ZINC000306551727 360425804 /nfs/dbraw/zinc/42/58/04/360425804.db2.gz APEBRZIPEMOKMD-APPZFPTMSA-N 1 0 212.322 0.959 10 0 BCAERO [NH3+][C@H]1CCC[C@H]1C(=O)Cc1csnn1 ZINC000306553743 360426862 /nfs/dbraw/zinc/42/68/62/360426862.db2.gz GVNZEQPPKJFXHD-SFYZADRCSA-N 1 0 211.290 0.777 10 0 BCAERO [NH3+]C1CN(c2cncc(Br)c2)C1 ZINC000300740571 360435832 /nfs/dbraw/zinc/43/58/32/360435832.db2.gz HORJJWZCHGICDO-UHFFFAOYSA-N 1 0 228.093 0.991 10 0 BCAERO C[C@H]1[C@H]([NH3+])CCN1S(=O)(=O)C(C)(C)C ZINC000306583059 360482098 /nfs/dbraw/zinc/48/20/98/360482098.db2.gz DVSINFXGLCLZOA-JGVFFNPUSA-N 1 0 220.338 0.536 10 0 BCAERO C[C@H]1C[C@@H](NC(=O)CC2C[NH2+]C2)CS1 ZINC000306584966 360484701 /nfs/dbraw/zinc/48/47/01/360484701.db2.gz QMVMCXUKTAQONE-IONNQARKSA-N 1 0 214.334 0.606 10 0 BCAERO C[C@H]1C[C@H](NC(=O)CC2C[NH2+]C2)CS1 ZINC000306584963 360484750 /nfs/dbraw/zinc/48/47/50/360484750.db2.gz QMVMCXUKTAQONE-CBAPKCEASA-N 1 0 214.334 0.606 10 0 BCAERO C[C@@H]1C[C@@H](NC(=O)CC2C[NH2+]C2)CS1 ZINC000306584968 360484913 /nfs/dbraw/zinc/48/49/13/360484913.db2.gz QMVMCXUKTAQONE-VXNVDRBHSA-N 1 0 214.334 0.606 10 0 BCAERO C[S@](=O)CCN1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000306589618 360494350 /nfs/dbraw/zinc/49/43/50/360494350.db2.gz ULKPAKIADBEAKE-RBZYPMLTSA-N 1 0 216.350 0.049 10 0 BCAERO C[C@@H](C[NH3+])C(=O)N[C@@H]1CS[C@H](C)C1 ZINC000306590615 360496151 /nfs/dbraw/zinc/49/61/51/360496151.db2.gz VCKGLNBYMPPGFV-RNJXMRFFSA-N 1 0 202.323 0.591 10 0 BCAERO NC(=O)c1ccc(OC[C@H]2CC[NH2+]C2)c(F)c1 ZINC000051888702 181301431 /nfs/dbraw/zinc/30/14/31/181301431.db2.gz AOEXZMCNWSNVJG-QMMMGPOBSA-N 1 0 238.262 0.913 10 0 BCAERO CC[C@@](C)([C@H](C)[NH3+])N1CCS(=O)CC1 ZINC000306572549 360461272 /nfs/dbraw/zinc/46/12/72/360461272.db2.gz GXAUYNGDHHMYLK-UWVGGRQHSA-N 1 0 218.366 0.567 10 0 BCAERO C[C@H]1CSC[C@H]1NC(=O)C(C)(C)[NH3+] ZINC000306575083 360463758 /nfs/dbraw/zinc/46/37/58/360463758.db2.gz JENDRAXBCKLMPJ-NKWVEPMBSA-N 1 0 202.323 0.591 10 0 BCAERO C[C@H]1CSC[C@@H]1NC(=O)C(C)(C)[NH3+] ZINC000306575082 360464365 /nfs/dbraw/zinc/46/43/65/360464365.db2.gz JENDRAXBCKLMPJ-BQBZGAKWSA-N 1 0 202.323 0.591 10 0 BCAERO C[C@@H]1CC[C@@H]([NH3+])CN1S(=O)(=O)C(F)F ZINC000306579028 360466292 /nfs/dbraw/zinc/46/62/92/360466292.db2.gz MPLQVHYNDNZIHP-PHDIDXHHSA-N 1 0 228.264 0.350 10 0 BCAERO C[S@@](=O)N1CC[NH2+]C2(CCCCC2)C1 ZINC000306577793 360466312 /nfs/dbraw/zinc/46/63/12/360466312.db2.gz LQLZIVRUOLNUAG-CQSZACIVSA-N 1 0 216.350 0.888 10 0 BCAERO C[C@@H]1[C@H](C)[NH2+]CCN1CC[S@](C)=O ZINC000306591139 360505422 /nfs/dbraw/zinc/50/54/22/360505422.db2.gz VKUSAORWSYNPMG-RWEMILLDSA-N 1 0 204.339 0.047 10 0 BCAERO CC[C@@](C)(O)C[N@@H+]1CCC[C@@H]([NH3+])[C@H]1C ZINC000306598460 360518441 /nfs/dbraw/zinc/51/84/41/360518441.db2.gz PRNIDNVMPWFQSX-GMTAPVOTSA-N 1 0 200.326 0.959 10 0 BCAERO CN(Cc1csnn1)[C@@H]1CCC[NH2+]C1 ZINC000306597159 360518508 /nfs/dbraw/zinc/51/85/08/360518508.db2.gz NSQIBBZQALYZJK-SECBINFHSA-N 1 0 212.322 0.722 10 0 BCAERO C[C@@H](NC(=O)[C@H]1CC[C@@H](C)O1)[C@H](C)[NH3+] ZINC000306597359 360519726 /nfs/dbraw/zinc/51/97/26/360519726.db2.gz ODCCFSUCBQPDHK-BZNPZCIMSA-N 1 0 200.282 0.406 10 0 BCAERO NC(=O)c1cccc(C(=O)N[C@@H]2CCC[C@H]2[NH3+])c1 ZINC000063172774 181302010 /nfs/dbraw/zinc/30/20/10/181302010.db2.gz HKHIQILSSRTWLG-GHMZBOCLSA-N 1 0 247.298 0.395 10 0 BCAERO NC(=O)c1cccc(C(=O)NC[C@H]2CC[NH2+]C2)c1 ZINC000133670397 181302436 /nfs/dbraw/zinc/30/24/36/181302436.db2.gz LSQCFSNKNLOSBK-VIFPVBQESA-N 1 0 247.298 0.125 10 0 BCAERO CC(C)(C)OC(=O)N1C[C@]2(F)C[NH2+]C[C@@H]12 ZINC000238141790 360624591 /nfs/dbraw/zinc/62/45/91/360624591.db2.gz VKMFDCQRAVUVDT-GMSGAONNSA-N 1 0 216.256 0.917 10 0 BCAERO CC1(C)CN(C(=O)/C=C/C[NH3+])CCS1 ZINC000306610706 360779435 /nfs/dbraw/zinc/77/94/35/360779435.db2.gz FHOJPKQGQSMDTJ-ONEGZZNKSA-N 1 0 214.334 0.855 10 0 BCAERO C[C@H](NC(=O)C(C)(C)[NH3+])[C@H]1CCCO1 ZINC000040920722 360781448 /nfs/dbraw/zinc/78/14/48/360781448.db2.gz QIOVDYCLLOXGIY-JGVFFNPUSA-N 1 0 200.282 0.407 10 0 BCAERO NC(=O)c1nccnc1N[C@@H]1CCCC[C@H]1[NH3+] ZINC000054399061 181313868 /nfs/dbraw/zinc/31/38/68/181313868.db2.gz PWGNAYMUENXAEO-HTQZYQBOSA-N 1 0 235.291 0.257 10 0 BCAERO NC(=O)c1nccnc1N1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000054399084 181314304 /nfs/dbraw/zinc/31/43/04/181314304.db2.gz LFTYHCRKMAKNOB-CBLAIPOGSA-N 1 0 247.302 0.034 10 0 BCAERO NC(=O)c1nccnc1OC[C@@H]1CCCC[NH2+]1 ZINC000054399290 181314346 /nfs/dbraw/zinc/31/43/46/181314346.db2.gz LOLPCKUSQUDXQF-QMMMGPOBSA-N 1 0 236.275 0.096 10 0 BCAERO NC(=S)CC(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000049570295 181314834 /nfs/dbraw/zinc/31/48/34/181314834.db2.gz UWDVAXSLGLNGGY-IUCAKERBSA-N 1 0 241.360 0.406 10 0 BCAERO NC(=S)C[N@@H+]1CCCC[C@H]1CCO ZINC000019429486 181316420 /nfs/dbraw/zinc/31/64/20/181316420.db2.gz RNNAENFLBDHJOY-QMMMGPOBSA-N 1 0 202.323 0.509 10 0 BCAERO C[C@H]1CSCCN(C(=O)/C=C\C[NH3+])C1 ZINC000379551867 361081111 /nfs/dbraw/zinc/08/11/11/361081111.db2.gz RQZGWDZRZLDPME-PKRMOACSSA-N 1 0 214.334 0.713 10 0 BCAERO C[C@H]1CC[NH2+][C@@H](CCS(C)(=O)=O)C1 ZINC000069940533 361162702 /nfs/dbraw/zinc/16/27/02/361162702.db2.gz DCNLGYISHKQOCQ-IUCAKERBSA-N 1 0 205.323 0.809 10 0 BCAERO Nc1ncc(Cl)cc1[C@@]1(O)CC[NH2+]C1 ZINC000069943314 361173166 /nfs/dbraw/zinc/17/31/66/361173166.db2.gz MGOPRHVNEXKYSB-SECBINFHSA-N 1 0 213.668 0.498 10 0 BCAERO [NH3+]C1(C(=O)N2CC[C@H](O)C2)CCCCC1 ZINC000061712352 181324999 /nfs/dbraw/zinc/32/49/99/181324999.db2.gz TZOOCIOYKLFKGT-VIFPVBQESA-N 1 0 212.293 0.241 10 0 BCAERO [NH3+]C1(C(=O)NC[C@@H](O)C(F)(F)F)CCCC1 ZINC000225390774 181326132 /nfs/dbraw/zinc/32/61/32/181326132.db2.gz NAXNPDJLHQCPFK-ZCFIWIBFSA-N 1 0 240.225 0.297 10 0 BCAERO [NH3+]C1(C(=O)N[C@H]2CCC[C@@H](O)C2)CCCC1 ZINC000037479552 181327024 /nfs/dbraw/zinc/32/70/24/181327024.db2.gz LOCCRHIZTOPCSZ-VHSXEESVSA-N 1 0 226.320 0.678 10 0 BCAERO C[C@@H]1CN([C@H](C[NH3+])C(F)(F)F)C[C@H]1O ZINC000306628532 361299005 /nfs/dbraw/zinc/29/90/05/361299005.db2.gz JOPRJXJKCBXIHF-FSDSQADBSA-N 1 0 212.215 0.189 10 0 BCAERO CC(C)n1nnnc1CN(C)[C@H](C)C[NH3+] ZINC000579124228 366717700 /nfs/dbraw/zinc/71/77/00/366717700.db2.gz IYTICKFSBBLXCR-MRVPVSSYSA-N 1 0 212.301 0.033 10 0 BCAERO O=C(NC[C@@H]1CCC[NH2+]1)[C@@H]1CCSC1 ZINC000069986729 361322172 /nfs/dbraw/zinc/32/21/72/361322172.db2.gz BPVVGFFYJVUKRM-BDAKNGLRSA-N 1 0 214.334 0.608 10 0 BCAERO COc1cccc(N2CC[NH+](C)CC2)n1 ZINC000115723071 370689114 /nfs/dbraw/zinc/68/91/14/370689114.db2.gz BYUXEBHLSVRSTG-UHFFFAOYSA-N 1 0 207.277 0.842 10 0 BCAERO [NH3+]C1(CN2CCS(=O)CC2)CCCCC1 ZINC000049692978 181330712 /nfs/dbraw/zinc/33/07/12/181330712.db2.gz CIFURYYLAZENFM-UHFFFAOYSA-N 1 0 230.377 0.712 10 0 BCAERO Cn1ccc(C[N@@H+]2CC[C@@H](CCO)C2)n1 ZINC000163020956 361375829 /nfs/dbraw/zinc/37/58/29/361375829.db2.gz NFZJIVLOAVDRCF-JTQLQIEISA-N 1 0 209.293 0.624 10 0 BCAERO C[C@@H]1C[NH2+]CC[C@H]1N1CCS(=O)CC1 ZINC000070045880 361382884 /nfs/dbraw/zinc/38/28/84/361382884.db2.gz QHXRCNJRZNNDDS-NXEZZACHSA-N 1 0 216.350 0.049 10 0 BCAERO Brc1c[nH]nc1CN[C@@H]1CC[NH2+]C1 ZINC000579342248 366761876 /nfs/dbraw/zinc/76/18/76/366761876.db2.gz ZMZYQDNDIIBLPA-ZCFIWIBFSA-N 1 0 245.124 0.624 10 0 BCAERO Cc1cncc(CN2CCO[C@@H]3C[NH2+]C[C@@H]32)c1 ZINC000629534888 361408235 /nfs/dbraw/zinc/40/82/35/361408235.db2.gz BESSETUWDCHKIG-QWHCGFSZSA-N 1 0 233.315 0.563 10 0 BCAERO COC[C@H](C)[NH2+]Cc1cnc2ccnn2c1 ZINC000381450194 361463095 /nfs/dbraw/zinc/46/30/95/361463095.db2.gz HELXAZGAROGQGW-VIFPVBQESA-N 1 0 220.276 0.854 10 0 BCAERO C[C@@H](C(=O)[O-])[N@@H+]1C[C@H](C[NH3+])CC[C@H]1C ZINC000070182142 361476022 /nfs/dbraw/zinc/47/60/22/361476022.db2.gz KXEMNWXLDFSKAY-VGMNWLOBSA-N 1 0 200.282 0.519 10 0 BCAERO CCc1nnc(C[NH2+][C@@H]2CCOC[C@@H]2C)n1C ZINC000433171549 201164208 /nfs/dbraw/zinc/16/42/08/201164208.db2.gz DWSXCUCVYFEWKT-VHSXEESVSA-N 1 0 238.335 0.892 10 0 BCAERO CO[C@H](C)[C@H](C)[NH2+]C1CCN(CCO)CC1 ZINC000309965713 491158586 /nfs/dbraw/zinc/15/85/86/491158586.db2.gz NJFVJIMSIXSMDT-WDEREUQCSA-N 1 0 230.352 0.456 10 0 BCAERO C[NH2+][C@H]1CCN(Cc2cscn2)C1=O ZINC000070558241 361548642 /nfs/dbraw/zinc/54/86/42/361548642.db2.gz AXWPIYKDNAKLIW-QMMMGPOBSA-N 1 0 211.290 0.463 10 0 BCAERO CO[C@H]1C[NH2+][C@](C)(c2nc(-c3ncc[nH]3)no2)C1 ZINC000629679950 361601525 /nfs/dbraw/zinc/60/15/25/361601525.db2.gz BVYUGFCBNUSZIN-HQJQHLMTSA-N 1 0 249.274 0.683 10 0 BCAERO [NH3+]C1CC(NC(=O)/C=C/c2ccco2)C1 ZINC000036237191 181340291 /nfs/dbraw/zinc/34/02/91/181340291.db2.gz WDOJFFKLQBATSD-ONEGZZNKSA-N 1 0 206.245 0.899 10 0 BCAERO Nc1ccc(C(=O)NCC[NH3+])cc1Cl ZINC000070602247 361587844 /nfs/dbraw/zinc/58/78/44/361587844.db2.gz QSVQYRRPCCGPMZ-UHFFFAOYSA-N 1 0 213.668 0.611 10 0 BCAERO [NH3+]C1CCC(C(=O)NCCCO)CC1 ZINC000037481920 181340359 /nfs/dbraw/zinc/34/03/59/181340359.db2.gz FQDFYLIOKMUXPQ-UHFFFAOYSA-N 1 0 200.282 0.003 10 0 BCAERO [NH3+]C1CC(NS(=O)(=O)Cc2ccccc2)C1 ZINC000036265942 181340527 /nfs/dbraw/zinc/34/05/27/181340527.db2.gz JYFAVZSWXHJPLM-UHFFFAOYSA-N 1 0 240.328 0.596 10 0 BCAERO [NH3+]C1CCC(N2C(=O)c3ccncc3C2=O)CC1 ZINC000071336824 181341208 /nfs/dbraw/zinc/34/12/08/181341208.db2.gz GTWWZVCBAVGHCQ-UHFFFAOYSA-N 1 0 245.282 0.948 10 0 BCAERO [NH3+]C1CCC(Oc2cncc3nnnn32)CC1 ZINC000055143340 181342187 /nfs/dbraw/zinc/34/21/87/181342187.db2.gz WSGFZPAYJNBGIN-UHFFFAOYSA-N 1 0 234.263 0.168 10 0 BCAERO [NH3+]C1CCN(C(=O)[C@@H]2CCCOC2)CC1 ZINC000054769055 181343878 /nfs/dbraw/zinc/34/38/78/181343878.db2.gz JRSQYFXMOKCRBB-SECBINFHSA-N 1 0 212.293 0.363 10 0 BCAERO Cc1nn([C@@H]2C[NH2+]C[C@H]2O)cc1Cl ZINC000070630448 361682983 /nfs/dbraw/zinc/68/29/83/361682983.db2.gz GXFHUXXZXLCKOW-HTQZYQBOSA-N 1 0 201.657 0.350 10 0 BCAERO C[C@H]1CC[C@]([NH3+])(CCS(C)(=O)=O)C1 ZINC000070645439 361693148 /nfs/dbraw/zinc/69/31/48/361693148.db2.gz YSGXWUZXYFWZDD-IUCAKERBSA-N 1 0 205.323 0.939 10 0 BCAERO Cc1c(Cl)cnn1C[C@H]1C[NH2+]CCO1 ZINC000070649684 361694768 /nfs/dbraw/zinc/69/47/68/361694768.db2.gz JSTVVLYQDZEIEF-MRVPVSSYSA-N 1 0 215.684 0.833 10 0 BCAERO C[C@H](O)[C@@H]([NH3+])CNc1ccc(Cl)nn1 ZINC000070648195 361695439 /nfs/dbraw/zinc/69/54/39/361695439.db2.gz ZLJGBUKVWPNLAQ-WDSKDSINSA-N 1 0 216.672 0.250 10 0 BCAERO Cn1cc(SC[C@H]2C[NH2+]CCO2)cn1 ZINC000070649860 361696113 /nfs/dbraw/zinc/69/61/13/361696113.db2.gz DWHVAHIEWGRLNT-MRVPVSSYSA-N 1 0 213.306 0.501 10 0 BCAERO CC1CC(C(=O)N[C@H](CO)C[NH+](C)C)C1 ZINC000614850415 364002162 /nfs/dbraw/zinc/00/21/62/364002162.db2.gz XUWHYMSVKFNQRH-RTBKNWGFSA-N 1 0 214.309 0.071 10 0 BCAERO C[C@@H]1CCC[C@@H]1C(=O)N[C@H](CO)C[NH+](C)C ZINC000614850950 364004330 /nfs/dbraw/zinc/00/43/30/364004330.db2.gz CYOUJPXTSUVQNU-VWYCJHECSA-N 1 0 228.336 0.461 10 0 BCAERO C[NH+](C)C[C@@H](CO)NC(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000614860216 364014888 /nfs/dbraw/zinc/01/48/88/364014888.db2.gz TYMCXDVVSVQVME-VLEAKVRGSA-N 1 0 226.320 0.071 10 0 BCAERO [NH3+]CC(=O)NCc1cccc(F)c1F ZINC000083343320 181354116 /nfs/dbraw/zinc/35/41/16/181354116.db2.gz HNNPDMAOAJWWIW-UHFFFAOYSA-N 1 0 200.188 0.540 10 0 BCAERO CCCCNC(=O)NC[C@@H]([NH3+])[C@@H]1CCOC1 ZINC000725255107 541332337 /nfs/dbraw/zinc/33/23/37/541332337.db2.gz SCFYDPSEBLLOLZ-NXEZZACHSA-N 1 0 229.324 0.450 10 0 BCAERO CC(C)(C)NC(=O)NC[C@@H]([NH3+])[C@H]1CCCOC1 ZINC000725255135 541332367 /nfs/dbraw/zinc/33/23/67/541332367.db2.gz UDZZUQKVZIBLJD-VHSXEESVSA-N 1 0 243.351 0.838 10 0 BCAERO Cc1c(Cl)cnn1[C@@H](C)[C@H]([NH3+])C(N)=O ZINC000725256081 541332725 /nfs/dbraw/zinc/33/27/25/541332725.db2.gz SFNGDIPEDSSAME-FSPLSTOPSA-N 1 0 216.672 0.219 10 0 BCAERO CCCC(=O)N1C[C@H](OC)C[C@]1(C)C[NH3+] ZINC000630360193 364080881 /nfs/dbraw/zinc/08/08/81/364080881.db2.gz IRXBFNLGYRFASG-MWLCHTKSSA-N 1 0 214.309 0.751 10 0 BCAERO C[NH2+][C@@H](C)C[C@H](C)n1cc(S(C)(=O)=O)cn1 ZINC000725251764 541330973 /nfs/dbraw/zinc/33/09/73/541330973.db2.gz GQQWCKPKQQNSIC-IUCAKERBSA-N 1 0 245.348 0.846 10 0 BCAERO CO[C@H]1CN(Cc2ncc(C)o2)[C@@](C)(C[NH3+])C1 ZINC000630362808 364082492 /nfs/dbraw/zinc/08/24/92/364082492.db2.gz BSJVGRZXCHUHOR-ZYHUDNBSSA-N 1 0 239.319 0.921 10 0 BCAERO [NH3+]CC(=O)NCc1ccc(F)cc1F ZINC000051017813 181354635 /nfs/dbraw/zinc/35/46/35/181354635.db2.gz IKAFFCRJSQJUKP-UHFFFAOYSA-N 1 0 200.188 0.540 10 0 BCAERO CO[C@@H]1CN(CCOC(C)C)[C@@](C)(C[NH3+])C1 ZINC000630364789 364083159 /nfs/dbraw/zinc/08/31/59/364083159.db2.gz VXVRSFXBMWYDFF-NWDGAFQWSA-N 1 0 230.352 0.850 10 0 BCAERO CO[C@@H]1CN(C(=O)C2CC2)[C@@](C)(C[NH3+])C1 ZINC000630366095 364083254 /nfs/dbraw/zinc/08/32/54/364083254.db2.gz ZMLQTLAHORWVHT-GXSJLCMTSA-N 1 0 212.293 0.361 10 0 BCAERO CCC(=O)N1C[C@H](OC)C[C@@]1(C)C[NH3+] ZINC000630364380 364083304 /nfs/dbraw/zinc/08/33/04/364083304.db2.gz VBFSSXXGMUKOJZ-SCZZXKLOSA-N 1 0 200.282 0.361 10 0 BCAERO CO[C@H]1CN(CCOC(C)C)[C@@](C)(C[NH3+])C1 ZINC000630364792 364083508 /nfs/dbraw/zinc/08/35/08/364083508.db2.gz VXVRSFXBMWYDFF-VXGBXAGGSA-N 1 0 230.352 0.850 10 0 BCAERO CO[C@H]1CN(CCOCC2CC2)[C@@](C)(C[NH3+])C1 ZINC000630364673 364083577 /nfs/dbraw/zinc/08/35/77/364083577.db2.gz QCTKOUTZWVDGIA-CHWSQXEVSA-N 1 0 242.363 0.851 10 0 BCAERO [NH3+]CC(=O)Nc1ccc(Cn2cncn2)cc1 ZINC000037006800 181354853 /nfs/dbraw/zinc/35/48/53/181354853.db2.gz UBUIYWVZHJKGEP-UHFFFAOYSA-N 1 0 231.259 0.224 10 0 BCAERO CO[C@@H]1CN(C(=O)CC(C)C)[C@](C)(C[NH3+])C1 ZINC000630365859 364083719 /nfs/dbraw/zinc/08/37/19/364083719.db2.gz ZDAFUEYLMDKDMQ-JQWIXIFHSA-N 1 0 228.336 0.997 10 0 BCAERO CCCOCC(=O)N1C[C@@H](OC)C[C@@]1(C)C[NH3+] ZINC000630367501 364085175 /nfs/dbraw/zinc/08/51/75/364085175.db2.gz CYXPQKRAUJGEEW-JQWIXIFHSA-N 1 0 244.335 0.378 10 0 BCAERO [NH3+]CC(=O)N[C@H]1CCC[C@H]1n1ccnc1 ZINC000037045732 181354942 /nfs/dbraw/zinc/35/49/42/181354942.db2.gz NNMXROBRNRSDPE-DTWKUNHWSA-N 1 0 208.265 0.052 10 0 BCAERO CC[C@H](C)C(=O)N1C[C@H](OC)C[C@]1(C)C[NH3+] ZINC000630366439 364085958 /nfs/dbraw/zinc/08/59/58/364085958.db2.gz KMDAZUVRLGBZHL-HOSYDEDBSA-N 1 0 228.336 0.997 10 0 BCAERO CO[C@H]1CN(CCCF)[C@](C)(C[NH3+])C1 ZINC000630369230 364086428 /nfs/dbraw/zinc/08/64/28/364086428.db2.gz VZVAQNJJBSWSHG-ZJUUUORDSA-N 1 0 204.289 0.784 10 0 BCAERO CO[C@@H]1CN(C(=O)c2ccoc2)[C@](C)(C[NH3+])C1 ZINC000630369326 364086810 /nfs/dbraw/zinc/08/68/10/364086810.db2.gz WNIXLFAZVRJKBH-JQWIXIFHSA-N 1 0 238.287 0.858 10 0 BCAERO CO[C@H]1CN(CCCF)[C@@](C)(C[NH3+])C1 ZINC000630369222 364086850 /nfs/dbraw/zinc/08/68/50/364086850.db2.gz VZVAQNJJBSWSHG-NXEZZACHSA-N 1 0 204.289 0.784 10 0 BCAERO COCCCC(=O)N1C[C@@H](OC)C[C@]1(C)C[NH3+] ZINC000630371231 364087506 /nfs/dbraw/zinc/08/75/06/364087506.db2.gz RCDGGLHHRWSXGU-CMPLNLGQSA-N 1 0 244.335 0.378 10 0 BCAERO CO[C@H]1CN(C(=O)[C@@H]2CCCO2)[C@](C)(C[NH3+])C1 ZINC000630374972 364089257 /nfs/dbraw/zinc/08/92/57/364089257.db2.gz PXSKORZEZICCMY-SCVCMEIPSA-N 1 0 242.319 0.130 10 0 BCAERO CO[C@@H]1CN(C(=O)[C@@H]2CC23CC3)[C@](C)(C[NH3+])C1 ZINC000630376903 364091345 /nfs/dbraw/zinc/09/13/45/364091345.db2.gz HDQSIKQTUDAKEZ-NHCYSSNCSA-N 1 0 238.331 0.751 10 0 BCAERO NC(=O)c1cc(NC(=O)C[NH3+])ccc1Cl ZINC000037027888 181355881 /nfs/dbraw/zinc/35/58/81/181355881.db2.gz OSKVWWZTIJYOQO-UHFFFAOYSA-N 1 0 227.651 0.336 10 0 BCAERO CNC(=O)C[C@H](C[NH3+])c1ccc2c(c1)CCO2 ZINC000725263631 541336234 /nfs/dbraw/zinc/33/62/34/541336234.db2.gz XDXLYYCLSWSKBD-LLVKDONJSA-N 1 0 234.299 0.800 10 0 BCAERO COC(=O)c1cnc2c(cnn2C2C[NH2+]C2)c1O ZINC000725259458 541333610 /nfs/dbraw/zinc/33/36/10/541333610.db2.gz ZHZIRVXDAFVYOW-UHFFFAOYSA-N 1 0 248.242 0.068 10 0 BCAERO [NH3+]CC1(C(=O)N2CCC(O)CC2)CCCC1 ZINC000044752935 181357276 /nfs/dbraw/zinc/35/72/76/181357276.db2.gz KTIOFZSWZMQZEC-UHFFFAOYSA-N 1 0 226.320 0.489 10 0 BCAERO OC[C@@H]1CC[N@@H+]([C@@H]2CCO[C@]23CCOC3)C1 ZINC000725268877 541338340 /nfs/dbraw/zinc/33/83/40/541338340.db2.gz DLFXUCKVWWISCY-UTUOFQBUSA-N 1 0 227.304 0.249 10 0 BCAERO COc1ccnc(C(=O)N2CC[C@@H]([NH+](C)C)C2)c1 ZINC000116190108 370743952 /nfs/dbraw/zinc/74/39/52/370743952.db2.gz POXHFNMTOMSAJO-SNVBAGLBSA-N 1 0 249.314 0.866 10 0 BCAERO [NH3+]CC1(C(=O)NC2CCC2)CCOCC1 ZINC000052209289 181358941 /nfs/dbraw/zinc/35/89/41/181358941.db2.gz QARUUXGLXMSKBD-UHFFFAOYSA-N 1 0 212.293 0.411 10 0 BCAERO C[C@@H]1CC[C@@H](Nc2ncnc3c2cnn3C)C[NH2+]1 ZINC000630532974 364223097 /nfs/dbraw/zinc/22/30/97/364223097.db2.gz MBBALQNMKUWVBQ-RKDXNWHRSA-N 1 0 246.318 0.916 10 0 BCAERO [NH3+]CC1(C(=O)N[C@@H]2CCCC[C@@H]2O)CCCC1 ZINC000052008178 181359040 /nfs/dbraw/zinc/35/90/40/181359040.db2.gz ZGOGLCZWCXWXHB-MNOVXSKESA-N 1 0 240.347 0.925 10 0 BCAERO [NH3+]CC1(NS(=O)(=O)C(F)F)CCCC1 ZINC000020431593 181360682 /nfs/dbraw/zinc/36/06/82/181360682.db2.gz ADZVKWIQSNYWKG-UHFFFAOYSA-N 1 0 228.264 0.400 10 0 BCAERO Cc1nccc(N2C[C@@H](C[NH3+])[C@H](C)C2)n1 ZINC000630552384 364246241 /nfs/dbraw/zinc/24/62/41/364246241.db2.gz FAIUQBZKGXAFEQ-PSASIEDQSA-N 1 0 206.293 0.816 10 0 BCAERO CCOc1cncc(N2C[C@H](C)[C@@H](C[NH3+])C2)n1 ZINC000630552697 364246258 /nfs/dbraw/zinc/24/62/58/364246258.db2.gz GPNKJMCLHINKDN-UWVGGRQHSA-N 1 0 236.319 0.906 10 0 BCAERO CCOc1cncc(N2C[C@H](C)[C@H](C[NH3+])C2)n1 ZINC000630552698 364246953 /nfs/dbraw/zinc/24/69/53/364246953.db2.gz GPNKJMCLHINKDN-VHSXEESVSA-N 1 0 236.319 0.906 10 0 BCAERO Cc1nsc(N2C[C@@H](C[NH3+])[C@H](C)C2)n1 ZINC000630553867 364248853 /nfs/dbraw/zinc/24/88/53/364248853.db2.gz MEDFDPJNSMMFCY-HTRCEHHLSA-N 1 0 212.322 0.878 10 0 BCAERO COc1cc(C)nc(N2C[C@@H](C[NH3+])[C@H](C)C2)n1 ZINC000630553691 364249297 /nfs/dbraw/zinc/24/92/97/364249297.db2.gz KZKHJZDIJDKBQS-PSASIEDQSA-N 1 0 236.319 0.825 10 0 BCAERO Cc1nnc2c(N3C[C@@H](C[NH3+])[C@H](C)C3)nccn12 ZINC000630554668 364250624 /nfs/dbraw/zinc/25/06/24/364250624.db2.gz QWSLKASBNBOCNC-PSASIEDQSA-N 1 0 246.318 0.464 10 0 BCAERO [NH3+]CC1(C(=O)NCC2CC2)CCOCC1 ZINC000044761583 181359530 /nfs/dbraw/zinc/35/95/30/181359530.db2.gz XLJXQJKIYHEVMF-UHFFFAOYSA-N 1 0 212.293 0.268 10 0 BCAERO [NH3+]CC1(C(=O)Nc2cnccn2)CCC1 ZINC000082640084 181359579 /nfs/dbraw/zinc/35/95/79/181359579.db2.gz KJYJDFLQOIHRHY-UHFFFAOYSA-N 1 0 206.249 0.544 10 0 BCAERO C[C@@H]1C[C@H]([NH3+])CN1c1cn[nH]c(=O)c1Cl ZINC000630557190 364258558 /nfs/dbraw/zinc/25/85/58/364258558.db2.gz HYMZZPSKGMFYKM-RITPCOANSA-N 1 0 228.683 0.762 10 0 BCAERO C[C@@H]1C[C@@H]([NH3+])CN1c1ccc2nncn2n1 ZINC000630557340 364258797 /nfs/dbraw/zinc/25/87/97/364258797.db2.gz FBVZOFJXRYHXGS-HTQZYQBOSA-N 1 0 218.264 0.050 10 0 BCAERO C[C@H]1C[C@H]([NH3+])CN1c1ncnc2[nH]ccc21 ZINC000630559086 364260043 /nfs/dbraw/zinc/26/00/43/364260043.db2.gz OPLDSUVRXOFUSD-YUMQZZPRSA-N 1 0 217.276 0.884 10 0 BCAERO Cc1cc(N2C[C@H](C)[C@H](C[NH3+])C2)n2ncnc2n1 ZINC000630570905 364266448 /nfs/dbraw/zinc/26/64/48/364266448.db2.gz MLNJAHCYKREGLD-WCBMZHEXSA-N 1 0 246.318 0.464 10 0 BCAERO C[NH2+]CCOCCNc1ccc2nccnc2n1 ZINC000630531815 364225051 /nfs/dbraw/zinc/22/50/51/364225051.db2.gz ZYRPJZKYZOIKIJ-UHFFFAOYSA-N 1 0 247.302 0.046 10 0 BCAERO C[C@H]1CC[C@H](Nc2ccc3nccnc3n2)C[NH2+]1 ZINC000630534506 364226833 /nfs/dbraw/zinc/22/68/33/364226833.db2.gz LVGSPUJJIBBQBV-UWVGGRQHSA-N 1 0 243.314 0.951 10 0 BCAERO C[C@@H]1CC[C@@H](Nc2ccc3nccnc3n2)C[NH2+]1 ZINC000630534505 364226910 /nfs/dbraw/zinc/22/69/10/364226910.db2.gz LVGSPUJJIBBQBV-NXEZZACHSA-N 1 0 243.314 0.951 10 0 BCAERO [NH3+]CCCOCCNc1ncccc1F ZINC000630535630 364227796 /nfs/dbraw/zinc/22/77/96/364227796.db2.gz YJCIPJFTXUUBBX-UHFFFAOYSA-N 1 0 213.256 0.998 10 0 BCAERO Cc1c(CN[C@H]2CC[C@H](C)[NH2+]C2)cnn1C ZINC000398955996 364278619 /nfs/dbraw/zinc/27/86/19/364278619.db2.gz IEWIYHHZEUEJKX-CABZTGNLSA-N 1 0 222.336 0.959 10 0 BCAERO CC[C@H](C)NC(=O)C[NH2+][C@@H]1CCO[C@@H]1C ZINC000134544818 364405846 /nfs/dbraw/zinc/40/58/46/364405846.db2.gz MXPIBTYIRLBPRU-IVZWLZJFSA-N 1 0 214.309 0.668 10 0 BCAERO C[C@H](O)CC[N@@H+]1CCC[C@@H]1CCCO ZINC000134011429 364382473 /nfs/dbraw/zinc/38/24/73/364382473.db2.gz QDQQDJGEUYKRMZ-WDEREUQCSA-N 1 0 201.310 0.994 10 0 BCAERO C[C@@H]1OCC[C@@H]1[NH2+]CCCS(C)(=O)=O ZINC000134047831 364385828 /nfs/dbraw/zinc/38/58/28/364385828.db2.gz HTUAYLSPYASQQP-IUCAKERBSA-N 1 0 221.322 0.188 10 0 BCAERO C[C@@H]1OCC[C@H]1[NH2+]CCN1CCOCC1 ZINC000134378260 364401868 /nfs/dbraw/zinc/40/18/68/364401868.db2.gz NZQFQMLDLFZHJH-WDEREUQCSA-N 1 0 214.309 0.086 10 0 BCAERO Cc1nccc(C(=O)N2CC[C@H]([NH+](C)C)C2)n1 ZINC000170865137 364545808 /nfs/dbraw/zinc/54/58/08/364545808.db2.gz PMADIIQXPHTJAT-JTQLQIEISA-N 1 0 234.303 0.561 10 0 BCAERO [NH3+]CCC(=O)NC1(CO)CCCCC1 ZINC000053127190 181366360 /nfs/dbraw/zinc/36/63/60/181366360.db2.gz MKNIUVLFTVNJHG-UHFFFAOYSA-N 1 0 200.282 0.147 10 0 BCAERO [NH3+]CCC(=O)N(Cc1cccnc1)C1CC1 ZINC000032013408 181366585 /nfs/dbraw/zinc/36/65/85/181366585.db2.gz WAXADGHNORPDLE-UHFFFAOYSA-N 1 0 219.288 0.921 10 0 BCAERO Cn1cncc1CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000246620422 364603880 /nfs/dbraw/zinc/60/38/80/364603880.db2.gz YUQRZEDVCBMXDG-NSHDSACASA-N 1 0 220.320 0.700 10 0 BCAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)N(C)C ZINC000247133354 364618383 /nfs/dbraw/zinc/61/83/83/364618383.db2.gz JLWCZCGMLIFVMW-UWVGGRQHSA-N 1 0 211.309 0.837 10 0 BCAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1CCCCO ZINC000247154528 364620012 /nfs/dbraw/zinc/62/00/12/364620012.db2.gz KFCWVNGMPWSSCN-RYUDHWBXSA-N 1 0 212.337 0.927 10 0 BCAERO CCn1cc(C(=O)C[C@@H]2CCC[NH2+]2)nn1 ZINC000722090652 541368814 /nfs/dbraw/zinc/36/88/14/541368814.db2.gz QSPOLQGZDDEKJL-QMMMGPOBSA-N 1 0 208.265 0.623 10 0 BCAERO NC(=O)c1ccc(F)c(NC(=O)CC[NH3+])c1 ZINC000037025543 181368847 /nfs/dbraw/zinc/36/88/47/181368847.db2.gz DMNUNXANMWMLBP-UHFFFAOYSA-N 1 0 225.223 0.212 10 0 BCAERO [NH3+]CCC(=O)Nc1cccc2c[nH]nc21 ZINC000037044384 181369350 /nfs/dbraw/zinc/36/93/50/181369350.db2.gz AVZVJLQFGDHLKU-UHFFFAOYSA-N 1 0 204.233 0.850 10 0 BCAERO [NH3+]CCC(=O)Nc1ccc(-n2cccn2)nc1 ZINC000037026501 181368911 /nfs/dbraw/zinc/36/89/11/181368911.db2.gz HBIWAOPFLHABHM-UHFFFAOYSA-N 1 0 231.259 0.555 10 0 BCAERO [NH3+]CCC(=O)OCCc1ccc2[nH]c(=O)[nH]c2c1 ZINC000077426856 181370640 /nfs/dbraw/zinc/37/06/40/181370640.db2.gz NUTORMOZOAXBAD-UHFFFAOYSA-N 1 0 249.270 0.291 10 0 BCAERO CC1(C(=O)N2CC[C@H]3OCC[NH2+][C@H]3C2)CCC1 ZINC000573094067 364783932 /nfs/dbraw/zinc/78/39/32/364783932.db2.gz WACQXEDEXBHJKC-WDEREUQCSA-N 1 0 238.331 0.766 10 0 BCAERO [NH3+]CCCC(=O)NC[C@H](O)Cc1ccccc1 ZINC000237922607 181372156 /nfs/dbraw/zinc/37/21/56/181372156.db2.gz ZANBBOVUAFPTAN-GFCCVEGCSA-N 1 0 236.315 0.445 10 0 BCAERO [NH3+]CCCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21 ZINC000084669636 181375272 /nfs/dbraw/zinc/37/52/72/181375272.db2.gz WRWZCIJUQQONIV-CIUDSAMLSA-N 1 0 229.349 0.671 10 0 BCAERO [NH3+]CCCCN1C(=O)NC2(CCCCC2)C1=O ZINC000019384876 181376297 /nfs/dbraw/zinc/37/62/97/181376297.db2.gz FDHRAUHVFUWXPN-UHFFFAOYSA-N 1 0 239.319 0.980 10 0 BCAERO [NH3+]CCCCNC(=O)[C@H]1CSCCS1 ZINC000181086204 181377915 /nfs/dbraw/zinc/37/79/15/181377915.db2.gz JDTKBLQHEYKBEX-MRVPVSSYSA-N 1 0 234.390 0.690 10 0 BCAERO O=C(NCCCc1ccccn1)[C@H]1CC[NH2+]C1 ZINC000573962738 364955179 /nfs/dbraw/zinc/95/51/79/364955179.db2.gz JZAGAOBDQITYDH-NSHDSACASA-N 1 0 233.315 0.740 10 0 BCAERO CCOc1nccnc1N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000574025864 364969275 /nfs/dbraw/zinc/96/92/75/364969275.db2.gz GICRRDAXBYSRFP-AOOOYVTPSA-N 1 0 234.303 0.531 10 0 BCAERO CC(C)[C@@H](C)C(=O)N[C@]1(CO)CCC[NH2+]C1 ZINC000669385132 541438413 /nfs/dbraw/zinc/43/84/13/541438413.db2.gz ZLXPZGYDQIWPSU-ZYHUDNBSSA-N 1 0 228.336 0.509 10 0 BCAERO [NH3+]CCCN(CC(=O)N1CCCCC1)C1CC1 ZINC000036732147 181379731 /nfs/dbraw/zinc/37/97/31/181379731.db2.gz MMDJJHWSPQJCJP-UHFFFAOYSA-N 1 0 239.363 0.812 10 0 BCAERO CC(C)C(=O)N[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000669372637 541435994 /nfs/dbraw/zinc/43/59/94/541435994.db2.gz UNQYCRPMRAASIL-RNFRBKRXSA-N 1 0 224.226 0.909 10 0 BCAERO CC1CC(C(=O)N2CC[C@@H]3OCC[NH2+][C@@H]3C2)C1 ZINC000574159259 364998508 /nfs/dbraw/zinc/99/85/08/364998508.db2.gz AEUHQCAVQZWVEA-HCWSGVFWSA-N 1 0 238.331 0.622 10 0 BCAERO CCN(CC(=O)NC)[C@@H]1CCC[NH2+]CC1 ZINC000168804213 365012039 /nfs/dbraw/zinc/01/20/39/365012039.db2.gz JAEKXXWFJQJTIW-SNVBAGLBSA-N 1 0 213.325 0.196 10 0 BCAERO [NH3+]CCCN1CCN(C(=O)c2ccco2)CC1 ZINC000020181737 181380675 /nfs/dbraw/zinc/38/06/75/181380675.db2.gz POGCSGPXMZMGSZ-UHFFFAOYSA-N 1 0 237.303 0.386 10 0 BCAERO [NH3+]CCN1CCN(c2nccs2)CC1 ZINC000019516130 181391473 /nfs/dbraw/zinc/39/14/73/181391473.db2.gz KEUZRISCOUQODX-UHFFFAOYSA-N 1 0 212.322 0.224 10 0 BCAERO NCCN1CC[NH+]=C1C[C@@H]1CCCOC1=O ZINC000005134602 181392121 /nfs/dbraw/zinc/39/21/21/181392121.db2.gz LKRSUEODZDWQAF-VIFPVBQESA-N 1 0 225.292 0.003 10 0 BCAERO [NH3+]CCCc1nnc(-c2cc[nH]c(=O)c2)o1 ZINC000083350356 181388264 /nfs/dbraw/zinc/38/82/64/181388264.db2.gz GGUWFAGGXSAJON-UHFFFAOYSA-N 1 0 220.232 0.316 10 0 BCAERO [NH3+]CCCc1noc(C2CCOCC2)n1 ZINC000061673830 181388405 /nfs/dbraw/zinc/38/84/05/181388405.db2.gz SFINYXYULGDGMB-UHFFFAOYSA-N 1 0 211.265 0.855 10 0 BCAERO [NH3+]CCCc1nnc([C@H]2COCCO2)o1 ZINC000055305815 181388572 /nfs/dbraw/zinc/38/85/72/181388572.db2.gz RWNBGGCCCBFJSU-SSDOTTSWSA-N 1 0 213.237 0.049 10 0 BCAERO [NH3+]CCN1C(=O)CC2(CCCC2)CC1=O ZINC000041043107 181390045 /nfs/dbraw/zinc/39/00/45/181390045.db2.gz RSFHQBTUKRRDBT-UHFFFAOYSA-N 1 0 210.277 0.655 10 0 BCAERO [NH3+]CCN(CC(=O)NCC1CC1)C1CCCC1 ZINC000070975434 181390390 /nfs/dbraw/zinc/39/03/90/181390390.db2.gz LHWHQISPDOCRBV-UHFFFAOYSA-N 1 0 239.363 0.716 10 0 BCAERO [NH3+]CCN1CCO[C@H](c2cccnc2)C1 ZINC000019729987 181391839 /nfs/dbraw/zinc/39/18/39/181391839.db2.gz CZWZCKBBSIZLJD-NSHDSACASA-N 1 0 207.277 0.414 10 0 BCAERO NCCN1CC[NH+]=C1C[C@H]1CCCOC1=O ZINC000005134414 181392424 /nfs/dbraw/zinc/39/24/24/181392424.db2.gz LKRSUEODZDWQAF-SECBINFHSA-N 1 0 225.292 0.003 10 0 BCAERO [NH3+]CCNC(=O)CCOc1ccc(F)cc1F ZINC000019787521 181392810 /nfs/dbraw/zinc/39/28/10/181392810.db2.gz QMQYKTBKJYGSOQ-UHFFFAOYSA-N 1 0 244.241 0.809 10 0 BCAERO [NH3+]CCNC(=O)c1cncc(Br)c1 ZINC000034957910 181395495 /nfs/dbraw/zinc/39/54/95/181395495.db2.gz KSJXQDLMRPGGDZ-UHFFFAOYSA-N 1 0 244.092 0.533 10 0 BCAERO [NH3+]CCNC(=O)c1cc2ccccc2cn1 ZINC000028365401 181395560 /nfs/dbraw/zinc/39/55/60/181395560.db2.gz SFAOPEJLNDUXLZ-UHFFFAOYSA-N 1 0 215.256 0.923 10 0 BCAERO [NH3+]CCNC(=O)c1cc(Cl)ccc1O ZINC000019473506 181395676 /nfs/dbraw/zinc/39/56/76/181395676.db2.gz MIEYQVNLOBFQRZ-UHFFFAOYSA-N 1 0 214.652 0.734 10 0 BCAERO [NH3+]CCSc1nnnn1C1CCCC1 ZINC000019811138 181403048 /nfs/dbraw/zinc/40/30/48/181403048.db2.gz VRMNCMGTGHXXNG-UHFFFAOYSA-N 1 0 213.310 0.839 10 0 BCAERO Nc1cc2c(cc1NCC[NH3+])NC(=O)CC2 ZINC000052815324 181396472 /nfs/dbraw/zinc/39/64/72/181396472.db2.gz XRPGTLZUSQIWRV-UHFFFAOYSA-N 1 0 220.276 0.524 10 0 BCAERO [NH3+]CCNCc1cccc2c1OCCO2 ZINC000037712800 181397556 /nfs/dbraw/zinc/39/75/56/181397556.db2.gz RWDHETMJSYRURT-UHFFFAOYSA-N 1 0 208.261 0.506 10 0 BCAERO [NH3+]CCN[C@H]([C@H]1CCCO1)C(F)(F)F ZINC000068576013 181397732 /nfs/dbraw/zinc/39/77/32/181397732.db2.gz ALEQPWLRXBDCMJ-RNFRBKRXSA-N 1 0 212.215 0.645 10 0 BCAERO [NH3+]CCNc1nc(C(F)(F)F)ns1 ZINC000228770968 181398180 /nfs/dbraw/zinc/39/81/80/181398180.db2.gz CRBWFLSPPLZIPO-UHFFFAOYSA-N 1 0 212.200 0.928 10 0 BCAERO [NH3+]CCNc1ccc(C(F)(F)F)nn1 ZINC000040546640 181398686 /nfs/dbraw/zinc/39/86/86/181398686.db2.gz CKJSTYIHSNXOLQ-UHFFFAOYSA-N 1 0 206.171 0.866 10 0 BCAERO [NH3+]CC[C@@H](O)CCOc1ccc2c(c1)OCO2 ZINC000041281586 181402835 /nfs/dbraw/zinc/40/28/35/181402835.db2.gz QQSWTKLUEKTUNC-SECBINFHSA-N 1 0 239.271 0.894 10 0 BCAERO [NH3+]CCO[C@H]1CCCN(C(F)(F)F)C1 ZINC000095077603 181399346 /nfs/dbraw/zinc/39/93/46/181399346.db2.gz KBJVZOMVVVRHKP-ZETCQYMHSA-N 1 0 212.215 0.946 10 0 BCAERO NC(=O)c1cc2[nH]ccc2c(OCC[NH3+])c1 ZINC000073739583 181399565 /nfs/dbraw/zinc/39/95/65/181399565.db2.gz DQADLJONUBVCCJ-UHFFFAOYSA-N 1 0 219.244 0.604 10 0 BCAERO [NH3+]CCOC[C@H]1CCCN1C(F)(F)F ZINC000095077610 181399652 /nfs/dbraw/zinc/39/96/52/181399652.db2.gz BUJQXWXINZJZHA-SSDOTTSWSA-N 1 0 212.215 0.946 10 0 BCAERO [NH3+]CCSCN1C(=O)c2ccccc2C1=O ZINC000037035517 181401465 /nfs/dbraw/zinc/40/14/65/181401465.db2.gz IWOVLJJEWLEDTL-UHFFFAOYSA-N 1 0 236.296 0.932 10 0 BCAERO [NH3+]CCS(=O)(=O)NC1CCCCCCC1 ZINC000019269668 181401734 /nfs/dbraw/zinc/40/17/34/181401734.db2.gz DIIAYVACBXXWIY-UHFFFAOYSA-N 1 0 234.365 0.977 10 0 BCAERO [NH3+]C[C@@H](C1CCCCC1)N1CCNC1=O ZINC000082641734 181416338 /nfs/dbraw/zinc/41/63/38/181416338.db2.gz QBFYSRJUILRNTP-JTQLQIEISA-N 1 0 211.309 0.919 10 0 BCAERO [NH3+]CCn1nnnc1-c1ccc(F)cc1F ZINC000055266069 181416427 /nfs/dbraw/zinc/41/64/27/181416427.db2.gz FCRRLQMFTBVZAF-UHFFFAOYSA-N 1 0 225.202 0.577 10 0 BCAERO [NH3+]C[C@@H](NN1CCOCC1)c1ccccc1 ZINC000071494512 181421414 /nfs/dbraw/zinc/42/14/14/181421414.db2.gz HIGHOSDMOWHAKT-GFCCVEGCSA-N 1 0 221.304 0.523 10 0 BCAERO COC[C@@H](C)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000171541690 365212976 /nfs/dbraw/zinc/21/29/76/365212976.db2.gz JNWWBTYZFLQEEJ-NXEZZACHSA-N 1 0 214.309 0.431 10 0 BCAERO CN(C)C(=O)[C@H]1CCC[N@@H+]1CC1CCOCC1 ZINC000172007593 365268213 /nfs/dbraw/zinc/26/82/13/365268213.db2.gz AIUZGORQOKRFBR-GFCCVEGCSA-N 1 0 240.347 0.966 10 0 BCAERO COC[C@@H](C)CNC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000172492655 365329733 /nfs/dbraw/zinc/32/97/33/365329733.db2.gz PDCZVKPUZMPFRY-QWRGUYRKSA-N 1 0 243.351 0.614 10 0 BCAERO CCC(=O)N1CC[N@H+](C[C@@H](C)O)[C@H](CC)C1 ZINC000174603938 365498743 /nfs/dbraw/zinc/49/87/43/365498743.db2.gz JQTJIOKMRLOMJF-GHMZBOCLSA-N 1 0 228.336 0.700 10 0 BCAERO CC(C)S(=O)(=O)N1CC[C@@H]2CC[C@]21C[NH3+] ZINC000685947519 541496952 /nfs/dbraw/zinc/49/69/52/541496952.db2.gz WSCTXZURTJHKSD-UWVGGRQHSA-N 1 0 232.349 0.538 10 0 BCAERO Fc1ccc(-c2cnnn2C2C[NH2+]C2)cn1 ZINC000685951985 541497460 /nfs/dbraw/zinc/49/74/60/541497460.db2.gz NLKNINPJWKHPJQ-UHFFFAOYSA-N 1 0 219.223 0.624 10 0 BCAERO CCc1nc2n(n1)[C@@H]1CC[NH2+]C[C@@H]1CN2 ZINC000234208608 541512301 /nfs/dbraw/zinc/51/23/01/541512301.db2.gz LOVFHRJTNHHBDK-HTQZYQBOSA-N 1 0 207.281 0.417 10 0 BCAERO CC(C)c1nc2n(n1)[C@@H]1CC[NH2+]C[C@@H]1CN2 ZINC000232796468 541508002 /nfs/dbraw/zinc/50/80/02/541508002.db2.gz XDZWVFDRFOHXKW-RKDXNWHRSA-N 1 0 221.308 0.978 10 0 BCAERO CCc1nnc(CN2CCC[C@H](C[NH3+])C2)n1C ZINC000581132488 367272065 /nfs/dbraw/zinc/27/20/65/367272065.db2.gz KHAHMWNVQYFGIB-SNVBAGLBSA-N 1 0 237.351 0.548 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCO[C@@H](C)[C@@H]1C ZINC000380504494 367225354 /nfs/dbraw/zinc/22/53/54/367225354.db2.gz HXDIOSNOVAMSJM-VPOLOUISSA-N 1 0 226.320 0.478 10 0 BCAERO C[C@@H]1OCCN(C(=O)[C@@]2(C)CCC[NH2+]2)[C@H]1C ZINC000380536509 367231120 /nfs/dbraw/zinc/23/11/20/367231120.db2.gz OXKOUBJMAMFALA-JBLDHEPKSA-N 1 0 226.320 0.764 10 0 BCAERO CSCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000194171476 367261339 /nfs/dbraw/zinc/26/13/39/367261339.db2.gz BMHKZECTWISPIE-SECBINFHSA-N 1 0 216.350 0.902 10 0 BCAERO COC(=O)c1cncc(N[C@@H](C)[C@@H](C)[NH3+])n1 ZINC000381534018 367426178 /nfs/dbraw/zinc/42/61/78/367426178.db2.gz BJYPGLSGWPLMDF-RQJHMYQMSA-N 1 0 224.264 0.411 10 0 BCAERO C[C@@H]([NH3+])[C@H](C)Nc1nnnn1-c1ccccc1 ZINC000381414664 367398278 /nfs/dbraw/zinc/39/82/78/367398278.db2.gz YSSXGVUNGYTYAX-BDAKNGLRSA-N 1 0 232.291 0.232 10 0 BCAERO CC(C)[C@H]1[NH2+]CC[C@H]1c1nc(CN)no1 ZINC000381561711 367430648 /nfs/dbraw/zinc/43/06/48/367430648.db2.gz QNKORTJXPNSXCF-VXNVDRBHSA-N 1 0 210.281 0.630 10 0 BCAERO C[C@@H]([NH3+])[C@H](C)Nc1ncccc1S(C)(=O)=O ZINC000381603117 367435866 /nfs/dbraw/zinc/43/58/66/367435866.db2.gz NNNPJWLZVQLQQV-SFYZADRCSA-N 1 0 243.332 0.633 10 0 BCAERO C[NH2+][C@H](C)C(=O)NCc1oc(C)nc1C ZINC000381845688 367462236 /nfs/dbraw/zinc/46/22/36/367462236.db2.gz DIAICSJLDUGKCA-SSDOTTSWSA-N 1 0 211.265 0.516 10 0 BCAERO Cc1cc(N[C@@H]2CC[C@H](C[NH3+])C2)n2ncnc2n1 ZINC000382456520 367525760 /nfs/dbraw/zinc/52/57/60/367525760.db2.gz JTNCMMSAABTPMK-VHSXEESVSA-N 1 0 246.318 0.972 10 0 BCAERO [NH3+]CC[C@@H](Nc1ncnc2nc[nH]c21)C(F)F ZINC000383480910 367626333 /nfs/dbraw/zinc/62/63/33/367626333.db2.gz ULPINQFJIUQGKC-RXMQYKEDSA-N 1 0 242.233 0.747 10 0 BCAERO [NH3+]CC[C@H](Nc1ncccn1)C(F)F ZINC000383480518 367626387 /nfs/dbraw/zinc/62/63/87/367626387.db2.gz NYSPDJQDVUNBMP-LURJTMIESA-N 1 0 202.208 0.871 10 0 BCAERO [NH3+]CC[C@@H](NC(=O)NC1CCC1)C(F)F ZINC000383320191 367611902 /nfs/dbraw/zinc/61/19/02/367611902.db2.gz RPHLWAHGYTXUEJ-SSDOTTSWSA-N 1 0 221.251 0.821 10 0 BCAERO [NH3+]C[C@@H]1CCCN1CC(=O)c1nccs1 ZINC000095072625 181431293 /nfs/dbraw/zinc/43/12/93/181431293.db2.gz HEUWDCGXPVNPTH-QMMMGPOBSA-N 1 0 225.317 0.749 10 0 BCAERO CCOc1nccnc1N1C[C@H](C)[C@H]([NH3+])C1 ZINC000581874896 367864742 /nfs/dbraw/zinc/86/47/42/367864742.db2.gz OJTWFLDIZKUVGM-DTWKUNHWSA-N 1 0 222.292 0.659 10 0 BCAERO COCC1(NC(=O)C[C@H]2CCC[NH2+]C2)CC1 ZINC000581834023 367838749 /nfs/dbraw/zinc/83/87/49/367838749.db2.gz CRWROHRIEMYKHZ-SNVBAGLBSA-N 1 0 226.320 0.671 10 0 BCAERO CCN(CC(F)F)C(=O)[C@H]([NH3+])COC ZINC000386239355 367936425 /nfs/dbraw/zinc/93/64/25/367936425.db2.gz SFUUQLOSTQEJLS-ZCFIWIBFSA-N 1 0 210.224 0.074 10 0 BCAERO C[N@@H+]1CC[C@H](C(=O)N2CC[C@H](CCO)C2)C1 ZINC000386224691 367934169 /nfs/dbraw/zinc/93/41/69/367934169.db2.gz KRBXCRAFOQFVSS-MNOVXSKESA-N 1 0 226.320 0.169 10 0 BCAERO CCOC(C)(C)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000630917213 367938578 /nfs/dbraw/zinc/93/85/78/367938578.db2.gz UENBYEWHTKCJKR-SNVBAGLBSA-N 1 0 228.336 0.964 10 0 BCAERO COC(=O)[C@@H](C)NC[C@@H]1CCC[NH2+]C1 ZINC000087646903 367949049 /nfs/dbraw/zinc/94/90/49/367949049.db2.gz QDWULVMCNLQQAX-RKDXNWHRSA-N 1 0 200.282 0.137 10 0 BCAERO C[C@H](CO)[N@H+](C)[C@H]1CCCCC[C@H]1O ZINC000252806137 368159410 /nfs/dbraw/zinc/15/94/10/368159410.db2.gz GREDTCPIRZYZEC-OUAUKWLOSA-N 1 0 201.310 0.993 10 0 BCAERO C[N@H+](CC(N)=S)[C@@H]1CCCC[C@H]1O ZINC000252925365 368166839 /nfs/dbraw/zinc/16/68/39/368166839.db2.gz MODLRRSOHBSZAQ-HTQZYQBOSA-N 1 0 202.323 0.508 10 0 BCAERO C[C@H]1C[NH2+]CCCN(CC[S@](C)=O)C1 ZINC000252932836 368169304 /nfs/dbraw/zinc/16/93/04/368169304.db2.gz CJQUGCOSVXCBLG-HZMBPMFUSA-N 1 0 218.366 0.296 10 0 BCAERO C[C@H](C[NH3+])S(=O)(=O)N1CCS[C@H](C)C1 ZINC000252980055 368177260 /nfs/dbraw/zinc/17/72/60/368177260.db2.gz KPNHVLPWEWBZLN-HTQZYQBOSA-N 1 0 238.378 0.101 10 0 BCAERO NC(=O)c1cnc(N2CC[NH2+]CC2)c(Cl)c1 ZINC000034639073 368265858 /nfs/dbraw/zinc/26/58/58/368265858.db2.gz QATWNWZZSWDCRY-UHFFFAOYSA-N 1 0 240.694 0.244 10 0 BCAERO [NH3+]C[C@@H]1CCN(C(=O)c2ccc3c[nH]nc3c2)C1 ZINC000061670082 181435057 /nfs/dbraw/zinc/43/50/57/181435057.db2.gz MNUIGZURTCESLX-VIFPVBQESA-N 1 0 244.298 0.984 10 0 BCAERO [NH3+][C@@H](C(=O)N1CCCC1)[C@H](O)c1ccncc1 ZINC000038218941 368325709 /nfs/dbraw/zinc/32/57/09/368325709.db2.gz GRZMKKUGHIECFK-GHMZBOCLSA-N 1 0 235.287 0.065 10 0 BCAERO O=C1NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2N1 ZINC000095629193 368338152 /nfs/dbraw/zinc/33/81/52/368338152.db2.gz MKRRMQOMXHPBQZ-WDEREUQCSA-N 1 0 245.282 0.531 10 0 BCAERO C[C@@H]1SCCN([C@@H]2C[NH2+]C[C@H]2O)[C@H]1C ZINC000253070461 368443850 /nfs/dbraw/zinc/44/38/50/368443850.db2.gz MJXJRNCICJLUGB-AXTSPUMRSA-N 1 0 216.350 0.145 10 0 BCAERO C[C@@H]1CC[N@H+](C[C@](C)(N)CO)C[C@H]1C ZINC000253073743 368471195 /nfs/dbraw/zinc/47/11/95/368471195.db2.gz PBIMLCYRWDVJTK-MXWKQRLJSA-N 1 0 200.326 0.674 10 0 BCAERO COCc1noc([C@]23CCC[C@H]2C[NH2+]C3)n1 ZINC000399796696 368585139 /nfs/dbraw/zinc/58/51/39/368585139.db2.gz OFLVDGVFWOHGIR-KWQFWETISA-N 1 0 223.276 0.857 10 0 BCAERO O=C(N[C@H]1CCSC1)[C@H]1CCC[NH2+]C1 ZINC000225491377 370911611 /nfs/dbraw/zinc/91/16/11/370911611.db2.gz XPTWOYGDVGZSRQ-IUCAKERBSA-N 1 0 214.334 0.608 10 0 BCAERO COC[C@H](NC(=O)[C@H]1CC[C@H]([NH3+])C1)C(C)C ZINC000085013932 368861836 /nfs/dbraw/zinc/86/18/36/368861836.db2.gz KEYSCMURAHTZNK-DCAQKATOSA-N 1 0 228.336 0.901 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)N2CCC([NH3+])CC2)O1 ZINC000088140186 368905709 /nfs/dbraw/zinc/90/57/09/368905709.db2.gz SGTBZYUQPYXVCZ-PSASIEDQSA-N 1 0 212.293 0.504 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)O1 ZINC000088142130 368905906 /nfs/dbraw/zinc/90/59/06/368905906.db2.gz PJBOFIGGYNPLMC-LMLFDSFASA-N 1 0 226.320 0.763 10 0 BCAERO O=C(C[C@@H]1CCC[NH2+]C1)NCC1CCOCC1 ZINC000111174562 368851170 /nfs/dbraw/zinc/85/11/70/368851170.db2.gz JPDHRGGKBQECDB-LBPRGKRZSA-N 1 0 240.347 0.919 10 0 BCAERO CS(=O)(=O)c1ccccc1NC1C[NH2+]C1 ZINC000084417712 368854811 /nfs/dbraw/zinc/85/48/11/368854811.db2.gz LTIIUYAMOBJZLM-UHFFFAOYSA-N 1 0 226.301 0.474 10 0 BCAERO C[C@H](CC(N)=O)[NH2+][C@H](CO)C1CCCCC1 ZINC000309719293 326164927 /nfs/dbraw/zinc/16/49/27/326164927.db2.gz BHJOGVVXIMYUAZ-MWLCHTKSSA-N 1 0 228.336 0.781 10 0 BCAERO COCc1ccc(C[NH2+][C@H]2CCOC[C@H]2O)o1 ZINC000623766216 368995930 /nfs/dbraw/zinc/99/59/30/368995930.db2.gz CATVWFVHVQKNOW-NWDGAFQWSA-N 1 0 241.287 0.665 10 0 BCAERO COCc1ccc(C[NH2+][C@H]2CCOC[C@@H]2O)o1 ZINC000623766217 368996460 /nfs/dbraw/zinc/99/64/60/368996460.db2.gz CATVWFVHVQKNOW-RYUDHWBXSA-N 1 0 241.287 0.665 10 0 BCAERO CN(Cc1nccn1C)C(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000091544626 369013914 /nfs/dbraw/zinc/01/39/14/369013914.db2.gz DRMNDOZVZWCTHF-NXEZZACHSA-N 1 0 236.319 0.506 10 0 BCAERO [NH3+]C[C@H](c1ccc(O)cc1)N1CCOCC1 ZINC000026443244 181454186 /nfs/dbraw/zinc/45/41/86/181454186.db2.gz YRMVHLMGMGZBEZ-GFCCVEGCSA-N 1 0 222.288 0.724 10 0 BCAERO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)c1ccnnc1 ZINC000229200658 181458598 /nfs/dbraw/zinc/45/85/98/181458598.db2.gz IEEYZXRPCGDLQK-MWLCHTKSSA-N 1 0 234.303 0.724 10 0 BCAERO OCC[N@@H+]1CCCO[C@H](c2ccccn2)C1 ZINC000616677989 369110243 /nfs/dbraw/zinc/11/02/43/369110243.db2.gz AWTXPKZUWUVPCR-LBPRGKRZSA-N 1 0 222.288 0.837 10 0 BCAERO [NH3+]CCN1CCCO[C@H](c2c[nH]cn2)C1 ZINC000616681653 369110915 /nfs/dbraw/zinc/11/09/15/369110915.db2.gz RHYYGNFIQFXAOP-JTQLQIEISA-N 1 0 210.281 0.132 10 0 BCAERO [NH3+]CCN1CCCO[C@H](c2cocn2)C1 ZINC000616681629 369111328 /nfs/dbraw/zinc/11/13/28/369111328.db2.gz QTQZUBFPCLPLPV-JTQLQIEISA-N 1 0 211.265 0.397 10 0 BCAERO [NH3+]C[C@H](O)COCCOc1ccccc1 ZINC000019281407 181449532 /nfs/dbraw/zinc/44/95/32/181449532.db2.gz XHAGYWNEVHSQAP-JTQLQIEISA-N 1 0 211.261 0.402 10 0 BCAERO [NH3+]C[C@H]1CC[C@H](COc2cccnc2)O1 ZINC000052646574 181465720 /nfs/dbraw/zinc/46/57/20/181465720.db2.gz XBKOPTVQOLARFM-MWLCHTKSSA-N 1 0 208.261 0.967 10 0 BCAERO [NH3+]C[C@H]1CC[C@@H](C(=O)Nc2ccncc2)O1 ZINC000087045563 181465728 /nfs/dbraw/zinc/46/57/28/181465728.db2.gz WHRHRCQTHHKPDQ-ZJUUUORDSA-N 1 0 221.260 0.526 10 0 BCAERO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)C1CCOCC1 ZINC000061883823 181461700 /nfs/dbraw/zinc/46/17/00/181461700.db2.gz SETQFIPAWQONDK-MNOVXSKESA-N 1 0 226.320 0.657 10 0 BCAERO Cc1cnccc1C[NH2+][C@H]1CCOC[C@H]1O ZINC000623766927 369214910 /nfs/dbraw/zinc/21/49/10/369214910.db2.gz NUBPQZNTJMXXRG-NWDGAFQWSA-N 1 0 222.288 0.629 10 0 BCAERO O[C@@H]1COCC[C@@H]1[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000623766946 369216113 /nfs/dbraw/zinc/21/61/13/369216113.db2.gz NXIACOYZCVEAQG-SDDRHHMPSA-N 1 0 241.331 0.828 10 0 BCAERO C[C@@H]1CN(CC(=O)NC2CCCC2)C[C@@H]1C[NH3+] ZINC000631842577 369367994 /nfs/dbraw/zinc/36/79/94/369367994.db2.gz CCIZUGICIZUQCH-MNOVXSKESA-N 1 0 239.363 0.572 10 0 BCAERO CC(C)C[NH2+][C@@H]1CCCN(CCO)C1 ZINC000108064656 369374143 /nfs/dbraw/zinc/37/41/43/369374143.db2.gz OAYNPSFYVJZZLK-LLVKDONJSA-N 1 0 200.326 0.689 10 0 BCAERO CC[C@@H]1C[C@H]([NH2+][C@@H]2CCOC[C@@H]2O)CO1 ZINC000623767334 369376841 /nfs/dbraw/zinc/37/68/41/369376841.db2.gz UICGLWMNDMVTGJ-ZDCRXTMVSA-N 1 0 215.293 0.293 10 0 BCAERO COc1cccc(C[NH2+][C@@H]2CCOC[C@@H]2O)n1 ZINC000623767570 369398039 /nfs/dbraw/zinc/39/80/39/369398039.db2.gz YAWBOQHLCSMBJB-MNOVXSKESA-N 1 0 238.287 0.330 10 0 BCAERO COC(=O)c1cncc(NC2CC[NH2+]CC2)n1 ZINC000091418262 369407729 /nfs/dbraw/zinc/40/77/29/369407729.db2.gz MTJZKKLIRMVMJZ-UHFFFAOYSA-N 1 0 236.275 0.427 10 0 BCAERO CC1(C)C[C@@H]1C(=O)N1CC[C@H]2OCC[NH2+][C@H]2C1 ZINC000404037814 369417441 /nfs/dbraw/zinc/41/74/41/369417441.db2.gz ZHBNNDUPNVRRDK-OUAUKWLOSA-N 1 0 238.331 0.622 10 0 BCAERO FCCCN1CC[C@H]2OCC[NH2+][C@@H]2C1 ZINC000404006324 369417618 /nfs/dbraw/zinc/41/76/18/369417618.db2.gz OLGGBQAIVOQJFP-NXEZZACHSA-N 1 0 202.273 0.409 10 0 BCAERO O=C(C1CCC1)N1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC000404089616 369418508 /nfs/dbraw/zinc/41/85/08/369418508.db2.gz VWUAGWGKAQLNOG-QWRGUYRKSA-N 1 0 224.304 0.376 10 0 BCAERO c1cc(CN2CC[C@@H]3OCC[NH2+][C@@H]3C2)on1 ZINC000404114360 369419966 /nfs/dbraw/zinc/41/99/66/369419966.db2.gz BWCWHLRTRUELTQ-MNOVXSKESA-N 1 0 223.276 0.237 10 0 BCAERO c1csc(CN2CC[C@@H]3OCC[NH2+][C@@H]3C2)n1 ZINC000404200724 369422253 /nfs/dbraw/zinc/42/22/53/369422253.db2.gz PLCMOVGIHRWDQU-ZJUUUORDSA-N 1 0 239.344 0.706 10 0 BCAERO CC(C)OCCN1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC000404181853 369422591 /nfs/dbraw/zinc/42/25/91/369422591.db2.gz IDMPIDFSLWAGCF-NEPJUHHUSA-N 1 0 228.336 0.474 10 0 BCAERO CCCCN(C)c1nc[nH+]c(NN)c1N ZINC000040730404 168787449 /nfs/dbraw/zinc/78/74/49/168787449.db2.gz SBRRYVJHBRBJBA-UHFFFAOYSA-N 1 0 210.285 0.581 10 0 BCAERO Cc1ccc(CN2CC[C@H]3OCC[NH2+][C@H]3C2)cn1 ZINC000405736202 369474532 /nfs/dbraw/zinc/47/45/32/369474532.db2.gz YREXMIWTFVWEPH-UONOGXRCSA-N 1 0 247.342 0.953 10 0 BCAERO CCOc1cc(C[NH3+])ncc1C(=O)NC ZINC000117982635 370987712 /nfs/dbraw/zinc/98/77/12/370987712.db2.gz UVDNYOXSLQYXPV-UHFFFAOYSA-N 1 0 209.249 0.299 10 0 BCAERO [NH3+]Cc1cccc(CN2CCNC2=O)c1 ZINC000037116461 181487822 /nfs/dbraw/zinc/48/78/22/181487822.db2.gz VCBLQFOYSWWCDL-UHFFFAOYSA-N 1 0 205.261 0.671 10 0 BCAERO CC(C)N1CC[C@H]([NH2+]C[C@@H](O)C(C)(C)C)C1=O ZINC000567891619 326277491 /nfs/dbraw/zinc/27/74/91/326277491.db2.gz MBSYJBSLWARMMF-WDEREUQCSA-N 1 0 242.363 0.992 10 0 BCAERO [NH3+]Cc1cccc(OC[C@H](O)Cn2cncn2)c1 ZINC000035727607 181489749 /nfs/dbraw/zinc/48/97/49/181489749.db2.gz OYPAOEBKMRPZDB-LLVKDONJSA-N 1 0 248.286 0.177 10 0 BCAERO CNc1nc(Cl)nc(NN(C)C)[nH+]1 ZINC000215209067 369573685 /nfs/dbraw/zinc/57/36/85/369573685.db2.gz ZALXAWOXCINAGQ-UHFFFAOYSA-N 1 0 202.649 0.455 10 0 BCAERO CCN1CC[C@H]([NH2+]C[C@H](O)CC(F)(F)F)C1 ZINC000307948920 370069143 /nfs/dbraw/zinc/06/91/43/370069143.db2.gz PMWMSTVVDGRBKJ-DTWKUNHWSA-N 1 0 240.269 0.984 10 0 BCAERO c1c[nH]c(C[NH2+][C@@H]2CCc3nccn3C2)n1 ZINC000309525205 370221699 /nfs/dbraw/zinc/22/16/99/370221699.db2.gz CJHMWCPIOPZPBE-SECBINFHSA-N 1 0 217.276 0.711 10 0 BCAERO CCNC(=O)N1CC[C@@H]([NH2+]CC(C)(C)O)C1 ZINC000309962333 370279873 /nfs/dbraw/zinc/27/98/73/370279873.db2.gz LWLHYKLVYTYFKT-SECBINFHSA-N 1 0 229.324 0.151 10 0 BCAERO COC(=O)C(C)(C)CNC(=O)C[C@@H]([NH3+])C(C)C ZINC000310145231 370308227 /nfs/dbraw/zinc/30/82/27/370308227.db2.gz FHINKNZSUXTZDV-SECBINFHSA-N 1 0 244.335 0.675 10 0 BCAERO C[C@@H]1CC[N@@H+]([C@@H]2CCC[C@H]2O)C[C@@H]1CO ZINC000621373211 370311815 /nfs/dbraw/zinc/31/18/15/370311815.db2.gz FAQBAKIZAWMEAV-DDHJBXDOSA-N 1 0 213.321 0.850 10 0 BCAERO O=C(NCC[C@@H]1CC1(F)F)[C@@H]1CC[NH2+]C1 ZINC000621670448 370420481 /nfs/dbraw/zinc/42/04/81/370420481.db2.gz NWQHIFFWYBTJMT-HTQZYQBOSA-N 1 0 218.247 0.757 10 0 BCAERO O=C(NCC[C@@H]1CC1(F)F)[C@@H]1C[NH2+]CCOC1 ZINC000621675042 370427200 /nfs/dbraw/zinc/42/72/00/370427200.db2.gz MIYDJRYSNDPHRS-RKDXNWHRSA-N 1 0 248.273 0.384 10 0 BCAERO CC1CC(CNC(=O)C2([NH3+])CCOCC2)C1 ZINC000621676479 370428186 /nfs/dbraw/zinc/42/81/86/370428186.db2.gz OSBXLERIGQZGEV-UHFFFAOYSA-N 1 0 226.320 0.657 10 0 BCAERO Cc1nccnc1C[N@H+]1C[C@H](O)C[C@H](C)C1 ZINC000621730888 370484877 /nfs/dbraw/zinc/48/48/77/370484877.db2.gz XYPCRLZFQKFPGD-GXSJLCMTSA-N 1 0 221.304 0.988 10 0 BCAERO Cc1cc(CN(C)[C@H]2C[NH2+]C[C@@H]2O)ccn1 ZINC000621776102 370524335 /nfs/dbraw/zinc/52/43/35/370524335.db2.gz CCPNDDNBRXHIMF-RYUDHWBXSA-N 1 0 221.304 0.155 10 0 BCAERO O[C@H]1COCC[C@H]1[NH2+]Cc1ccccn1 ZINC000623764253 371086375 /nfs/dbraw/zinc/08/63/75/371086375.db2.gz AVDDGRMCMSJHQZ-MNOVXSKESA-N 1 0 208.261 0.321 10 0 BCAERO O[C@@H]1COCC[C@@H]1[NH2+]Cc1cccs1 ZINC000623765116 371086725 /nfs/dbraw/zinc/08/67/25/371086725.db2.gz NYGPYZBLUWSCLO-VHSXEESVSA-N 1 0 213.302 0.988 10 0 BCAERO Cn1nncc1CN(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000328632960 371133029 /nfs/dbraw/zinc/13/30/29/371133029.db2.gz LPYZHJJOOWHPDT-SNVBAGLBSA-N 1 0 235.335 0.532 10 0 BCAERO [NH3+][C@@H]1CCCC[C@@H]1C(=O)N1CCC(CO)CC1 ZINC000055086536 181573281 /nfs/dbraw/zinc/57/32/81/181573281.db2.gz METRHHQYDOINOV-NWDGAFQWSA-N 1 0 240.347 0.735 10 0 BCAERO [NH3+][C@@H]1CCC[C@H](C(=O)N2CCC(CO)CC2)C1 ZINC000055086538 181584010 /nfs/dbraw/zinc/58/40/10/181584010.db2.gz MBERTJYIEYAXOK-NWDGAFQWSA-N 1 0 240.347 0.735 10 0 BCAERO [NH3+][C@@H]1CCC[C@H]1C(=O)NC[C@@H](O)C(F)(F)F ZINC000226320539 181585147 /nfs/dbraw/zinc/58/51/47/181585147.db2.gz CHXUBPOAWFLDPQ-FSDSQADBSA-N 1 0 240.225 0.153 10 0 BCAERO [NH3+][C@@H]1CCN(Cc2nccnc2Cl)C1 ZINC000095072120 181589099 /nfs/dbraw/zinc/58/90/99/181589099.db2.gz QHDKLYQEOMARDL-SSDOTTSWSA-N 1 0 212.684 0.663 10 0 BCAERO [NH3+][C@H](CCC[NH2+]Cc1ccccc1)C(=O)[O-] ZINC000001626577 181615437 /nfs/dbraw/zinc/61/54/37/181615437.db2.gz VAWTXRIBGODTRO-LLVKDONJSA-N 1 0 222.288 0.968 10 0 BCAERO [NH3+][C@H]1C[C@@H]1NC(=O)/C=C/c1cccs1 ZINC000036234787 181658074 /nfs/dbraw/zinc/65/80/74/181658074.db2.gz ARBGJEOATZKAOP-FBFNWGNUSA-N 1 0 208.286 0.977 10 0 BCAERO [NH3+][C@H]1CCCCC[C@@H]1NC(=O)C1=COCCO1 ZINC000063212478 181640223 /nfs/dbraw/zinc/64/02/23/181640223.db2.gz DVGGYVUKOBEWPA-UWVGGRQHSA-N 1 0 240.303 0.651 10 0 BCAERO [NH3+][C@H]1CCCC[C@@H]1NC(=O)c1ccc(=O)[nH]c1 ZINC000038049173 181640947 /nfs/dbraw/zinc/64/09/47/181640947.db2.gz QRHVCNIAOHBFMN-UWVGGRQHSA-N 1 0 235.287 0.375 10 0 BCAERO [NH3+][C@H]1CCCC[C@@H]1NC(=O)CCn1cccn1 ZINC000038048569 181641456 /nfs/dbraw/zinc/64/14/56/181641456.db2.gz HAEHOXNLSRKWDW-QWRGUYRKSA-N 1 0 236.319 0.659 10 0 BCAERO [NH3+][C@H]1CCC[C@@H]1C(=O)Nc1ncccc1O ZINC000128606457 181646237 /nfs/dbraw/zinc/64/62/37/181646237.db2.gz RTILCDFKKUWQCY-YUMQZZPRSA-N 1 0 221.260 0.853 10 0 BCAERO Nc1c(F)cccc1C(=O)N1CCC[NH2+]CC1 ZINC000082697739 181669428 /nfs/dbraw/zinc/66/94/28/181669428.db2.gz NOQAGGWGAMUFRA-UHFFFAOYSA-N 1 0 237.278 0.843 10 0 BCAERO CO[C@@H]1CCC[C@H]([NH2+][C@H]2CCOC[C@@H]2O)C1 ZINC000624237726 371426029 /nfs/dbraw/zinc/42/60/29/371426029.db2.gz CDWGHRMUUWCNHE-USZNOCQGSA-N 1 0 229.320 0.683 10 0 BCAERO Cc1nccnc1[C@H](C)[NH2+][C@@H]1CCOC[C@@H]1O ZINC000624237766 371426332 /nfs/dbraw/zinc/42/63/32/371426332.db2.gz DHBWNCJHDBOVMK-AXFHLTTASA-N 1 0 237.303 0.585 10 0 BCAERO Nc1ccccc1NC(=O)[C@H]1CC[NH2+]C1 ZINC000119428246 181756371 /nfs/dbraw/zinc/75/63/71/181756371.db2.gz RGGBMPYZOWCHIW-QMMMGPOBSA-N 1 0 205.261 0.817 10 0 BCAERO Cc1c[nH+]c(NN)nc1OCC(F)F ZINC000131128137 371560235 /nfs/dbraw/zinc/56/02/35/371560235.db2.gz OJZMTFFOVYHMCL-UHFFFAOYSA-N 1 0 204.180 0.715 10 0 BCAERO Cc1c(OCC(F)F)nc[nH+]c1NN ZINC000131134431 371562071 /nfs/dbraw/zinc/56/20/71/371562071.db2.gz JUFZSJCRWYAAJB-UHFFFAOYSA-N 1 0 204.180 0.715 10 0 BCAERO CS(=O)(=O)[C@@H]1CCC[C@H]([C@@H](F)C[NH3+])C1 ZINC000225675021 371566296 /nfs/dbraw/zinc/56/62/96/371566296.db2.gz NNCYETDRVMLJRK-YIZRAAEISA-N 1 0 223.313 0.887 10 0 BCAERO [NH3+][C@@H]1CCC[C@@H]1O[C@@H]1CCS(=O)(=O)C1 ZINC000131347085 371593996 /nfs/dbraw/zinc/59/39/96/371593996.db2.gz OVBJWPLDUWFDPK-HLTSFMKQSA-N 1 0 219.306 0.070 10 0 BCAERO CC[C@H](C)[N@@H+]1CCO[C@@H](C(N)=S)C1 ZINC000226172131 371619923 /nfs/dbraw/zinc/61/99/23/371619923.db2.gz XMLSLFXHHSCALW-JGVFFNPUSA-N 1 0 202.323 0.772 10 0 BCAERO C[NH2+][C@H]1CCN(Cc2cncs2)C1=O ZINC000131556706 371624049 /nfs/dbraw/zinc/62/40/49/371624049.db2.gz DYMMWLHUICJHCB-QMMMGPOBSA-N 1 0 211.290 0.463 10 0 BCAERO CC(C)C(=[NH2+])N1C[C@@H](C)O[C@@H](CO)C1 ZINC000230025342 371636833 /nfs/dbraw/zinc/63/68/33/371636833.db2.gz BVMGYUTUSHGIDH-RKDXNWHRSA-N 1 0 200.282 0.701 10 0 BCAERO Brc1cnnn1[C@H]1CC[NH2+]C1 ZINC000215881753 371653441 /nfs/dbraw/zinc/65/34/41/371653441.db2.gz XLXFZXYQLXQFGG-YFKPBYRVSA-N 1 0 217.070 0.575 10 0 BCAERO C[C@H]1C[NH2+]C[C@H]1C(=O)Cc1ccn(C)n1 ZINC000226375614 371656069 /nfs/dbraw/zinc/65/60/69/371656069.db2.gz SBIOLUAGXGMGFN-WCBMZHEXSA-N 1 0 207.277 0.387 10 0 BCAERO [NH3+]C[C@H]1CC[C@@H](C(=O)c2cnccn2)O1 ZINC000226647851 371715086 /nfs/dbraw/zinc/71/50/86/371715086.db2.gz PFUABCRAKKPXAM-APPZFPTMSA-N 1 0 207.233 0.166 10 0 BCAERO Nc1nc2ccccc2nc1N1CC[C@@H]([NH3+])C1 ZINC000095072107 181794842 /nfs/dbraw/zinc/79/48/42/181794842.db2.gz VOONWJXKMJWBFV-MRVPVSSYSA-N 1 0 229.287 0.749 10 0 BCAERO CCn1cc(C(=O)C2=CC[C@H]([NH3+])C2)cn1 ZINC000226560513 371697045 /nfs/dbraw/zinc/69/70/45/371697045.db2.gz DSPWLGBIVPLPAG-WPRPVWTQSA-N 1 0 205.261 0.989 10 0 BCAERO CC[C@@H]1CC[C@@H]([NH3+])[C@@H](S(C)(=O)=O)C1 ZINC000226801835 371746175 /nfs/dbraw/zinc/74/61/75/371746175.db2.gz PDCNSNJGVHXDDD-HLTSFMKQSA-N 1 0 205.323 0.937 10 0 BCAERO CCOC(=O)[C@@]1(O)CC[N@H+](C)[C@@H](C)C1 ZINC000226850544 371751968 /nfs/dbraw/zinc/75/19/68/371751968.db2.gz JVVSVYAQCCPGKE-WCBMZHEXSA-N 1 0 201.266 0.395 10 0 BCAERO Cn1nnc(Br)c1[C@@H]1CC[NH2+]C1 ZINC000216725126 371795902 /nfs/dbraw/zinc/79/59/02/371795902.db2.gz SDEQOJXOYKCQRV-RXMQYKEDSA-N 1 0 231.097 0.655 10 0 BCAERO Brc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000216725689 371795971 /nfs/dbraw/zinc/79/59/71/371795971.db2.gz QPPLHBRTJGMLIW-ZCFIWIBFSA-N 1 0 231.097 0.965 10 0 BCAERO Nc1nnc(SC[C@H]2CC[NH2+]C2)s1 ZINC000051891090 181814935 /nfs/dbraw/zinc/81/49/35/181814935.db2.gz PIEHMFUWNFLNSV-YFKPBYRVSA-N 1 0 216.335 0.822 10 0 BCAERO C[C@H](C(N)=S)[N@@H+]1CC[C@@H](C)[C@@H](O)C1 ZINC000230252944 371878382 /nfs/dbraw/zinc/87/83/82/371878382.db2.gz ZAKIRNORSGTKLF-PRJMDXOYSA-N 1 0 202.323 0.364 10 0 BCAERO C[C@@H](C(N)=O)[N@@H+]1CCS[C@@H](C)[C@H]1C ZINC000132663871 371888564 /nfs/dbraw/zinc/88/85/64/371888564.db2.gz HJCBUCZEQDFKAF-CSMHCCOUSA-N 1 0 202.323 0.686 10 0 BCAERO C[C@@H](Cc1ccsc1)N1C[C@H]([NH3+])C1=O ZINC000227622841 371907445 /nfs/dbraw/zinc/90/74/45/371907445.db2.gz GEGPBRWHSHGFFH-CBAPKCEASA-N 1 0 210.302 0.849 10 0 BCAERO CCS(=O)(=O)N1C[C@H](C)C[C@@H]([NH3+])C1 ZINC000227682252 371919599 /nfs/dbraw/zinc/91/95/99/371919599.db2.gz KBQTWEUXQKDEHT-HTQZYQBOSA-N 1 0 206.311 0.005 10 0 BCAERO C[C@H](C[NH3+])S(=O)(=O)N1CC[C@@H](C)C1 ZINC000227887644 371955409 /nfs/dbraw/zinc/95/54/09/371955409.db2.gz QKGAZMBEWGMTHQ-HTQZYQBOSA-N 1 0 206.311 0.005 10 0 BCAERO C[C@H](CO)N1CC[S@](=O)C(C)(C)CC1 ZINC000306479279 372024225 /nfs/dbraw/zinc/02/42/25/372024225.db2.gz HYMXBEBAMDEECA-OTYXRUKQSA-N 1 0 219.350 0.600 10 0 BCAERO COC[C@H](C[NH3+])N1C(=O)c2ccccc2C1=O ZINC000229028186 372109105 /nfs/dbraw/zinc/10/91/05/372109105.db2.gz GHUPTKBXQTUCKZ-QMMMGPOBSA-N 1 0 234.255 0.256 10 0 BCAERO C[C@@]1(CN=S(C)(C)=O)COC[C@H]1[NH3+] ZINC000307292241 372109258 /nfs/dbraw/zinc/10/92/58/372109258.db2.gz BKYHOSLMWZNERV-HTQZYQBOSA-N 1 0 206.311 0.078 10 0 BCAERO C[C@@H]1C[NH2+][C@H]([C@@H]2CCOC2)C[S@@]1=O ZINC000229081992 372117261 /nfs/dbraw/zinc/11/72/61/372117261.db2.gz BJDADROIDDDNEM-SKNMHBRKSA-N 1 0 203.307 0.132 10 0 BCAERO C[C@@H](CN1CC[NH2+]C[C@@H](C)C1)[S@@](C)=O ZINC000228655214 372064156 /nfs/dbraw/zinc/06/41/56/372064156.db2.gz DWRMGNVRGNATGG-ISTVAULSSA-N 1 0 218.366 0.295 10 0 BCAERO CC1(C[NH2+][C@H]2CCC3(C2)OCCO3)COC1 ZINC000306778946 372067076 /nfs/dbraw/zinc/06/70/76/372067076.db2.gz SREMKRIPKQYSIP-JTQLQIEISA-N 1 0 227.304 0.908 10 0 BCAERO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)C(F)(F)F ZINC000307243103 372101768 /nfs/dbraw/zinc/10/17/68/372101768.db2.gz JUBJCBQSKZQOQM-WDSKDSINSA-N 1 0 228.189 0.707 10 0 BCAERO Cc1cc(S(N)(=O)=O)ccc1C[NH+](C)C ZINC000133941180 372135833 /nfs/dbraw/zinc/13/58/33/372135833.db2.gz XUJFUYMHVGUXFV-UHFFFAOYSA-N 1 0 228.317 0.704 10 0 BCAERO [NH3+]C1C[C@H]2CC[C@@H](C1)N2C(=O)C(F)F ZINC000229300292 372138872 /nfs/dbraw/zinc/13/88/72/372138872.db2.gz PKCMJPHUYXAIFR-DGUCWDHESA-N 1 0 204.220 0.732 10 0 BCAERO NC(=O)[C@@H]([NH3+])C[C@H]1CCC2(CCCC2)O1 ZINC000229325344 372142788 /nfs/dbraw/zinc/14/27/88/372142788.db2.gz QDDKVTZMTZGZOD-BDAKNGLRSA-N 1 0 212.293 0.681 10 0 BCAERO [NH3+]C[C@H]1COCCN1[C@@H]1CCSC1 ZINC000405299743 372151587 /nfs/dbraw/zinc/15/15/87/372151587.db2.gz IUBQFJQTKWDWSR-BDAKNGLRSA-N 1 0 202.323 0.151 10 0 BCAERO C(NC1C[NH2+]C1)[C@@H]1CSCCS1 ZINC000229585832 372170082 /nfs/dbraw/zinc/17/00/82/372170082.db2.gz JULFGJWLMCXDPN-MRVPVSSYSA-N 1 0 204.364 0.396 10 0 BCAERO [NH3+][C@H]1CN(C[C@H]2CSCCS2)C1=O ZINC000229667068 372179471 /nfs/dbraw/zinc/17/94/71/372179471.db2.gz JKZLBHKXBNBNHR-BQBZGAKWSA-N 1 0 218.347 0.005 10 0 BCAERO C[C@@H](CNc1cccnc1N)[S@](C)=O ZINC000229715657 372185227 /nfs/dbraw/zinc/18/52/27/372185227.db2.gz DIOLVXCTVXTCMK-WJWGPLDTSA-N 1 0 213.306 0.843 10 0 BCAERO O=C(CC[NH2+]CCc1ccccn1)NC1CC1 ZINC000047943974 181919159 /nfs/dbraw/zinc/91/91/59/181919159.db2.gz YOQLSDPZAGCDHM-UHFFFAOYSA-N 1 0 233.315 0.882 10 0 BCAERO Cc1noc(CN2C[C@H](C)[C@H](C[NH3+])C2)n1 ZINC000631838031 372620579 /nfs/dbraw/zinc/62/05/79/372620579.db2.gz ILOVKZPSHLIZGA-IONNQARKSA-N 1 0 210.281 0.405 10 0 BCAERO Cc1nnsc1CN1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631837544 372630220 /nfs/dbraw/zinc/63/02/20/372630220.db2.gz TWYJVNHXEAALCW-APPZFPTMSA-N 1 0 226.349 0.873 10 0 BCAERO CCn1c(C)nnc1CN1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631838362 372631706 /nfs/dbraw/zinc/63/17/06/372631706.db2.gz MZOAHIQSNQSNLQ-KOLCDFICSA-N 1 0 237.351 0.633 10 0 BCAERO C[C@H]1CN(CC(=O)N2CCCCC2)C[C@H]1C[NH3+] ZINC000631843200 372640411 /nfs/dbraw/zinc/64/04/11/372640411.db2.gz KITHDGANFOFODR-NWDGAFQWSA-N 1 0 239.363 0.526 10 0 BCAERO C[C@H]1CN(CC(=O)N2CCCCC2)C[C@@H]1C[NH3+] ZINC000631843201 372641716 /nfs/dbraw/zinc/64/17/16/372641716.db2.gz KITHDGANFOFODR-RYUDHWBXSA-N 1 0 239.363 0.526 10 0 BCAERO CCC(C)(C)NC(=O)CN1C[C@H](C)[C@H](C[NH3+])C1 ZINC000631844072 372643250 /nfs/dbraw/zinc/64/32/50/372643250.db2.gz UZLFMOHHDPLJNG-WDEREUQCSA-N 1 0 241.379 0.818 10 0 BCAERO C[C@@H]1CN(S(=O)(=O)C2(C)CC2)C[C@@H]1C[NH3+] ZINC000631965870 372706549 /nfs/dbraw/zinc/70/65/49/372706549.db2.gz JGBGGTDBQQSZBQ-BDAKNGLRSA-N 1 0 232.349 0.395 10 0 BCAERO CCN(CC)S(=O)(=O)N1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631968328 372706665 /nfs/dbraw/zinc/70/66/65/372706665.db2.gz UBBIUSYTSUYUFE-UWVGGRQHSA-N 1 0 249.380 0.100 10 0 BCAERO O=C(C[NH2+]CC1CC1)NC[C@@H]1CCOC1 ZINC000037739194 181977898 /nfs/dbraw/zinc/97/78/98/181977898.db2.gz FGJICJHLTYKTNT-JTQLQIEISA-N 1 0 212.293 0.139 10 0 BCAERO O=C(C[NH2+]C[C@H]1CCCOC1)N1CCCC1 ZINC000038045953 181979945 /nfs/dbraw/zinc/97/99/45/181979945.db2.gz KXWVXLSIJXUOHX-LLVKDONJSA-N 1 0 226.320 0.625 10 0 BCAERO O=C(COC1CC[NH2+]CC1)N[C@H]1CCCOC1 ZINC000104385409 181995852 /nfs/dbraw/zinc/99/58/52/181995852.db2.gz LIBCNZSHFWONLJ-JTQLQIEISA-N 1 0 242.319 0.050 10 0 BCAERO O=C(COC[C@H]1CC[NH2+]C1)c1ccc[nH]1 ZINC000095072894 181998243 /nfs/dbraw/zinc/99/82/43/181998243.db2.gz PFSZBOXQMCDDIS-VIFPVBQESA-N 1 0 208.261 0.824 10 0 BCAERO CCc1nc(C)c(CN2CCO[C@H](C[NH3+])C2)[nH]1 ZINC000067674827 372844210 /nfs/dbraw/zinc/84/42/10/372844210.db2.gz ZTTOIXVRHZVGRJ-SNVBAGLBSA-N 1 0 238.335 0.440 10 0 BCAERO O=C(C[C@@H]1CCCC[NH2+]1)N1CCC[C@H](O)C1 ZINC000042471060 182016009 /nfs/dbraw/zinc/01/60/09/182016009.db2.gz HRUIYJCWEDMEJG-QWRGUYRKSA-N 1 0 226.320 0.502 10 0 BCAERO O=C(C[C@@H]1CCC[NH2+]C1)NCCn1cccn1 ZINC000054291447 182018614 /nfs/dbraw/zinc/01/86/14/182018614.db2.gz IFJWASFSIUMWKV-NSHDSACASA-N 1 0 236.319 0.389 10 0 BCAERO O=C(C[C@H]1CCC[NH2+]1)N1CCCC[C@H]1CO ZINC000042166194 182027068 /nfs/dbraw/zinc/02/70/68/182027068.db2.gz CBBCAXSLXAZOIF-MNOVXSKESA-N 1 0 226.320 0.502 10 0 BCAERO O=C(C[C@H]1CCC[NH2+]1)N1CCC[C@H](CO)C1 ZINC000042166270 182027696 /nfs/dbraw/zinc/02/76/96/182027696.db2.gz XHQBPKQBHDYHAZ-WDEREUQCSA-N 1 0 226.320 0.359 10 0 BCAERO O=C(C[C@H]1CCC[NH2+]C1)N1CCC[C@H]1CO ZINC000054291183 182028769 /nfs/dbraw/zinc/02/87/69/182028769.db2.gz CZEHHJSNCHGDRE-MNOVXSKESA-N 1 0 226.320 0.359 10 0 BCAERO O=C(Cc1ccccc1)N[C@H]1CC[NH2+]C1 ZINC000036286707 182044599 /nfs/dbraw/zinc/04/45/99/182044599.db2.gz DXLHNFXYCUGDNF-NSHDSACASA-N 1 0 204.273 0.707 10 0 BCAERO O=C(Cc1cccnc1)NC1CC[NH2+]CC1 ZINC000054291880 182047251 /nfs/dbraw/zinc/04/72/51/182047251.db2.gz LPOLKQKXWTXWAL-UHFFFAOYSA-N 1 0 219.288 0.492 10 0 BCAERO O=C(Cc1cc[nH]n1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000173748781 182052880 /nfs/dbraw/zinc/05/28/80/182052880.db2.gz ZUZSKAZGVCVAFJ-GFCCVEGCSA-N 1 0 248.330 0.649 10 0 BCAERO O=C(N1CC[NH2+]CC1)C(F)(F)C(F)(F)F ZINC000138742764 182080948 /nfs/dbraw/zinc/08/09/48/182080948.db2.gz ZPVHAFUHCRCJGV-UHFFFAOYSA-N 1 0 232.152 0.616 10 0 BCAERO NC(=O)[C@@]1([NH3+])CCC[C@@H](C(F)(F)F)C1 ZINC000069384747 373261876 /nfs/dbraw/zinc/26/18/76/373261876.db2.gz CBLUKYPJMBDPBL-IYSWYEEDSA-N 1 0 210.199 0.922 10 0 BCAERO O=C(NC1CC1)[C@@H]1CCCN1C1CC[NH2+]CC1 ZINC000038042823 182097635 /nfs/dbraw/zinc/09/76/35/182097635.db2.gz PNRZLMSWZHCKAR-LBPRGKRZSA-N 1 0 237.347 0.481 10 0 BCAERO O=C(NC1CC1)[C@H]1CCCN1C1CC[NH2+]CC1 ZINC000038042822 182098752 /nfs/dbraw/zinc/09/87/52/182098752.db2.gz PNRZLMSWZHCKAR-GFCCVEGCSA-N 1 0 237.347 0.481 10 0 BCAERO COC(=O)[C@H]1C[C@@H]1C(=O)NCC[NH2+]C(C)(C)C ZINC000174248820 205554784 /nfs/dbraw/zinc/55/47/84/205554784.db2.gz SDHZQOSSMPCWRI-IUCAKERBSA-N 1 0 242.319 0.300 10 0 BCAERO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cnns1 ZINC000040740520 182119407 /nfs/dbraw/zinc/11/94/07/182119407.db2.gz VAYWFHBEVYTKAD-DHBOJHSNSA-N 1 0 238.316 0.551 10 0 BCAERO O=C(NC1Cc2ccccc2C1)[C@@H]1CC[NH2+]C1 ZINC000236401778 182119650 /nfs/dbraw/zinc/11/96/50/182119650.db2.gz MZOALJYYYFLJIQ-GFCCVEGCSA-N 1 0 230.311 0.880 10 0 BCAERO CCOC(=O)[C@@]1([NH3+])CCOC(C)(C)C1 ZINC000069543664 373448924 /nfs/dbraw/zinc/44/89/24/373448924.db2.gz HNKHOLRFLNYHCR-SNVBAGLBSA-N 1 0 201.266 0.836 10 0 BCAERO C[C@H]1CN(C(=O)C(F)(F)F)C[C@H](C)[NH2+]1 ZINC000069628399 373551083 /nfs/dbraw/zinc/55/10/83/373551083.db2.gz NERZQBGIZKNMCW-WDSKDSINSA-N 1 0 210.199 0.758 10 0 BCAERO CCn1cc(NC(=O)[C@@H]2C[C@H](OC)C[NH2+]2)cn1 ZINC000040631959 373567231 /nfs/dbraw/zinc/56/72/31/373567231.db2.gz MBKDTNINODHAAJ-UWVGGRQHSA-N 1 0 238.291 0.218 10 0 BCAERO C[C@H]1CCN(C(=O)C(F)(F)F)C[C@@H]1[NH3+] ZINC000069719326 373648799 /nfs/dbraw/zinc/64/87/99/373648799.db2.gz DOXMYCSKSHKPAP-WDSKDSINSA-N 1 0 210.199 0.744 10 0 BCAERO CCS(=O)(=O)N1[C@@H](C[NH3+])CCC[C@@H]1C ZINC000069722539 373655502 /nfs/dbraw/zinc/65/55/02/373655502.db2.gz OPHSVRHJGUKKRU-DTWKUNHWSA-N 1 0 220.338 0.538 10 0 BCAERO C[C@H]1CCC[C@@H](C[NH3+])N1S(C)(=O)=O ZINC000069722549 373655762 /nfs/dbraw/zinc/65/57/62/373655762.db2.gz XARDGYZFTAOTNH-YUMQZZPRSA-N 1 0 206.311 0.148 10 0 BCAERO CC(C)C[C@@H](CO)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000040777175 373701036 /nfs/dbraw/zinc/70/10/36/373701036.db2.gz XUVMWHQJWOGKEC-STQMWFEESA-N 1 0 244.379 0.440 10 0 BCAERO C[C@H]([NH2+][C@H]1CCOC(C)(C)C1)C(N)=O ZINC000069861492 373892903 /nfs/dbraw/zinc/89/29/03/373892903.db2.gz AFAMKUYHRJEEQB-YUMQZZPRSA-N 1 0 200.282 0.407 10 0 BCAERO CC1(C)C[C@@]([NH2+]C2CC2)(C(N)=O)CCO1 ZINC000069893363 373970347 /nfs/dbraw/zinc/97/03/47/373970347.db2.gz PJYSRYMMKHHTIO-LLVKDONJSA-N 1 0 212.293 0.552 10 0 BCAERO O=C(NC[C@@H]1CC2(C[NH2+]C2)CO1)C1CCC1 ZINC000096093764 182221449 /nfs/dbraw/zinc/22/14/49/182221449.db2.gz GFICLUMSKCKMNK-JTQLQIEISA-N 1 0 224.304 0.281 10 0 BCAERO O=C(NC[C@@H](O)C(F)(F)F)[C@@H]1CCC[NH2+]C1 ZINC000225391947 182218480 /nfs/dbraw/zinc/21/84/80/182218480.db2.gz WAVBFZWHSLKTBO-RNFRBKRXSA-N 1 0 240.225 0.025 10 0 BCAERO O=C(NC[C@@H](O)C(F)(F)F)[C@H]1CCC[NH2+]C1 ZINC000225392032 182219082 /nfs/dbraw/zinc/21/90/82/182219082.db2.gz WAVBFZWHSLKTBO-NKWVEPMBSA-N 1 0 240.225 0.025 10 0 BCAERO O=C(NC[C@H](CO)c1ccccc1)[C@H]1CCC[NH2+]1 ZINC000182436985 182231312 /nfs/dbraw/zinc/23/13/12/182231312.db2.gz PIUWSKRQRGVXOK-CHWSQXEVSA-N 1 0 248.326 0.631 10 0 BCAERO O=C(NC[C@H](CO)c1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000182436946 182231644 /nfs/dbraw/zinc/23/16/44/182231644.db2.gz PIUWSKRQRGVXOK-OLZOCXBDSA-N 1 0 248.326 0.631 10 0 BCAERO C[C@H](C[NH3+])N1C(=O)c2ccccc2C1=O ZINC000070162399 374124568 /nfs/dbraw/zinc/12/45/68/374124568.db2.gz TUIAMCDNMMJOEC-SSDOTTSWSA-N 1 0 204.229 0.630 10 0 BCAERO O=C(NC[C@@H]1CCCC[C@@H]1O)[C@H]1CCC[NH2+]C1 ZINC000162140430 182225045 /nfs/dbraw/zinc/22/50/45/182225045.db2.gz SUZZQWMJOGGSSC-SRVKXCTJSA-N 1 0 240.347 0.653 10 0 BCAERO CCCCNC(=O)[C@@H](C)[NH2+][C@@H](C)COC ZINC000034938787 168855527 /nfs/dbraw/zinc/85/55/27/168855527.db2.gz KSVCGYWXXXKHQY-VHSXEESVSA-N 1 0 216.325 0.916 10 0 BCAERO [NH3+]Cc1cnc(-n2cc(Cl)cn2)cn1 ZINC000070581433 374147126 /nfs/dbraw/zinc/14/71/26/374147126.db2.gz CJYQRUUNSLKKBX-UHFFFAOYSA-N 1 0 209.640 0.774 10 0 BCAERO O=C(NC[C@H]1CC[NH2+]C1)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000251154887 182243096 /nfs/dbraw/zinc/24/30/96/182243096.db2.gz KPCAUSOGIHNMSO-UKKRHICBSA-N 1 0 208.305 0.758 10 0 BCAERO CC(C)C[C@@H]1CC[C@H](S(N)(=O)=O)C[NH2+]1 ZINC000070632417 374167879 /nfs/dbraw/zinc/16/78/79/374167879.db2.gz ZDBHAWHIYSVOIS-IUCAKERBSA-N 1 0 220.338 0.442 10 0 BCAERO CS(=O)(=O)CC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000070637084 374169881 /nfs/dbraw/zinc/16/98/81/374169881.db2.gz ROTDHXZHVKMAEK-DTWKUNHWSA-N 1 0 205.323 0.939 10 0 BCAERO O=C(NCc1ccccc1)N1CC[NH2+]C[C@@H](O)C1 ZINC000097819702 182255529 /nfs/dbraw/zinc/25/55/29/182255529.db2.gz PLWRKSTVTHJZMM-GFCCVEGCSA-N 1 0 249.314 0.162 10 0 BCAERO O=C(NCc1ccc(O)cc1)[C@H]1CCC[NH2+]1 ZINC000163188406 182251761 /nfs/dbraw/zinc/25/17/61/182251761.db2.gz FPNKSXRVJHBCIX-LLVKDONJSA-N 1 0 220.272 0.760 10 0 BCAERO O=C(NCc1ccccc1)N1CC[NH2+]C[C@H](O)C1 ZINC000097819701 182255775 /nfs/dbraw/zinc/25/57/75/182255775.db2.gz PLWRKSTVTHJZMM-LBPRGKRZSA-N 1 0 249.314 0.162 10 0 BCAERO CC(C)S(=O)(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000070957755 374235639 /nfs/dbraw/zinc/23/56/39/374235639.db2.gz IKICKTALKUNLAK-IUCAKERBSA-N 1 0 220.338 0.312 10 0 BCAERO [NH3+][C@H](C[C@@H]1CCS(=O)(=O)C1)C1CC1 ZINC000071003115 374240129 /nfs/dbraw/zinc/24/01/29/374240129.db2.gz DZDQSIBMFPYFPL-IONNQARKSA-N 1 0 203.307 0.549 10 0 BCAERO O=C(NCc1cn[nH]c1)[C@@H]1CCCC[NH2+]1 ZINC000038006550 182270596 /nfs/dbraw/zinc/27/05/96/182270596.db2.gz IHBVHAGAKISDBY-VIFPVBQESA-N 1 0 208.265 0.168 10 0 BCAERO O=C(N[C@@H]1CCCC[C@@H]1O)[C@H]1CCC[NH2+]1 ZINC000163514232 182292409 /nfs/dbraw/zinc/29/24/09/182292409.db2.gz AYEMDLZLNSFKDX-BBBLOLIVSA-N 1 0 212.293 0.158 10 0 BCAERO O=C(N[C@@H]1CCC[C@H](O)C1)C1CC[NH2+]CC1 ZINC000037000948 182299271 /nfs/dbraw/zinc/29/92/71/182299271.db2.gz SEOGYMBCHHOXHZ-MNOVXSKESA-N 1 0 226.320 0.406 10 0 BCAERO O=C(N[C@@H]1CC[NH2+]C1)c1ccc(O)cc1 ZINC000036286850 182303633 /nfs/dbraw/zinc/30/36/33/182303633.db2.gz NYQNDEWOFNANED-SECBINFHSA-N 1 0 206.245 0.484 10 0 BCAERO O=C(N[C@@H]1CC[NH2+]C1)N1CCO[C@@H]2CCC[C@H]21 ZINC000333695496 182304134 /nfs/dbraw/zinc/30/41/34/182304134.db2.gz QEUXQDWWOISJFB-GMTAPVOTSA-N 1 0 239.319 0.311 10 0 BCAERO O=C(N[C@@H]1CC[NH2+]C1)c1ccc(O)cc1O ZINC000052093085 182304586 /nfs/dbraw/zinc/30/45/86/182304586.db2.gz OJQZYAOTVYSRFF-SSDOTTSWSA-N 1 0 222.244 0.190 10 0 BCAERO O=C(N[C@H]1CCCC[C@H]1CO)C1CC[NH2+]CC1 ZINC000182875417 182328635 /nfs/dbraw/zinc/32/86/35/182328635.db2.gz JBAOBQNZQINVAV-RYUDHWBXSA-N 1 0 240.347 0.653 10 0 BCAERO O=C(Nc1ccc(Cl)cn1)[C@H]1C[NH2+]CCO1 ZINC000043707864 182354142 /nfs/dbraw/zinc/35/41/42/182354142.db2.gz UKJOJMWRLFMURU-MRVPVSSYSA-N 1 0 241.678 0.662 10 0 BCAERO O=C(Nc1cccc(CO)c1)[C@H]1CC[NH2+]C1 ZINC000062113750 182368838 /nfs/dbraw/zinc/36/88/38/182368838.db2.gz NTDIQZWKVNMYGO-JTQLQIEISA-N 1 0 220.272 0.727 10 0 BCAERO O=C(Nc1cccc2n[nH]cc21)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000037769585 182373675 /nfs/dbraw/zinc/37/36/75/182373675.db2.gz HTIPBRBRWLVXFQ-RDDDGLTNSA-N 1 0 246.270 0.224 10 0 BCAERO CCNC(=O)CNCC[NH+](CC)CC ZINC000020050461 170064886 /nfs/dbraw/zinc/06/48/86/170064886.db2.gz MJJHNPOTYYKQMQ-UHFFFAOYSA-N 1 0 201.314 0.054 10 0 BCAERO O=C(Nc1nc2c(s1)C[NH2+]CC2)c1cc[nH]n1 ZINC000062778085 182398005 /nfs/dbraw/zinc/39/80/05/182398005.db2.gz PBCZOUHOKUDVSZ-UHFFFAOYSA-N 1 0 249.299 0.764 10 0 BCAERO O=C([C@@H]1CCC[NH2+]C1)N1CCCC[C@@H]1CCO ZINC000019409033 182617509 /nfs/dbraw/zinc/61/75/09/182617509.db2.gz RHPXQTCXXCMDRN-VXGBXAGGSA-N 1 0 240.347 0.750 10 0 BCAERO O=C([C@H]1CC[NH2+]C1)N1CCN(CC(F)F)CC1 ZINC000237774701 182639328 /nfs/dbraw/zinc/63/93/28/182639328.db2.gz XADXSNNIPFJCBS-VIFPVBQESA-N 1 0 247.289 0.005 10 0 BCAERO O=C1NCCCC[C@@H]1[NH2+][C@@H]1CN2CCC1CC2 ZINC000020070957 182797509 /nfs/dbraw/zinc/79/75/09/182797509.db2.gz MGWQIMCDXUYQAZ-NWDGAFQWSA-N 1 0 237.347 0.339 10 0 BCAERO O=C1NCCCC[C@H]1[NH2+]C[C@H]1CCCCO1 ZINC000042821215 182799429 /nfs/dbraw/zinc/79/94/29/182799429.db2.gz ACBAHRIPEMLBQI-GHMZBOCLSA-N 1 0 226.320 0.814 10 0 BCAERO O=S(=O)(Cc1ccccn1)C[C@H]1CC[NH2+]C1 ZINC000095073250 182890830 /nfs/dbraw/zinc/89/08/30/182890830.db2.gz MDQJULYGMRGISO-JTQLQIEISA-N 1 0 240.328 0.606 10 0 BCAERO O=S(=O)(NCc1ccco1)C1CC[NH2+]CC1 ZINC000049631938 182897779 /nfs/dbraw/zinc/89/77/79/182897779.db2.gz XALNJXVOJPHKEM-UHFFFAOYSA-N 1 0 244.316 0.451 10 0 BCAERO O=S1(=O)CC[C@H](OC[C@@H]2CCCC[NH2+]2)C1 ZINC000051816066 182913754 /nfs/dbraw/zinc/91/37/54/182913754.db2.gz IUKRAHXGNITCOE-UWVGGRQHSA-N 1 0 233.333 0.332 10 0 BCAERO CCOCCCN1CCO[C@@H](C[NH2+]C)C1 ZINC000071519822 170373494 /nfs/dbraw/zinc/37/34/94/170373494.db2.gz OMXKUOHVXWNQRW-NSHDSACASA-N 1 0 216.325 0.333 10 0 BCAERO O=[S@@](C[C@H]1CCC[NH2+]1)c1ccnc(Cl)n1 ZINC000095070108 182963566 /nfs/dbraw/zinc/96/35/66/182963566.db2.gz LDXQNHMEBZIWIE-KWKYVRJSSA-N 1 0 245.735 0.990 10 0 BCAERO O=[S@](C[C@@H]1CC[NH2+]C1)c1ncccn1 ZINC000095073669 182966183 /nfs/dbraw/zinc/96/61/83/182966183.db2.gz HZCZWMPOXZVLFT-CLAHSXSESA-N 1 0 211.290 0.194 10 0 BCAERO O=c1[nH]c2ccc([C@@H](O)[C@@H]3CCC[NH2+]3)cc2o1 ZINC000062531316 182974556 /nfs/dbraw/zinc/97/45/56/182974556.db2.gz WDCMCFNHRXGNLX-GXSJLCMTSA-N 1 0 234.255 0.907 10 0 BCAERO CC(C)(C)NC(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000041059035 166620633 /nfs/dbraw/zinc/62/06/33/166620633.db2.gz BPZATDVWBSGCRA-QMMMGPOBSA-N 1 0 215.297 0.154 10 0 BCAERO O=c1c(OC[C@@H]2CC[NH2+]C2)nccn1C1CC1 ZINC000061771928 182986764 /nfs/dbraw/zinc/98/67/64/182986764.db2.gz MQEQNOGKNHJWOK-SECBINFHSA-N 1 0 235.287 0.567 10 0 BCAERO O=c1cccnn1CC[NH2+]C1CCCC1 ZINC000061405040 183003683 /nfs/dbraw/zinc/00/36/83/183003683.db2.gz VGABNJHDIIZSID-UHFFFAOYSA-N 1 0 207.277 0.776 10 0 BCAERO O=c1cccnn1CC[C@@H]1CCCC[NH2+]1 ZINC000061403335 183004029 /nfs/dbraw/zinc/00/40/29/183004029.db2.gz MYUWQTGYYSBART-JTQLQIEISA-N 1 0 207.277 0.776 10 0 BCAERO O=c1n(C[C@H]2CCC[NH2+]C2)nc2n1CCCC2 ZINC000061817597 183008229 /nfs/dbraw/zinc/00/82/29/183008229.db2.gz HTMHFXAOFWEHTP-JTQLQIEISA-N 1 0 236.319 0.381 10 0 BCAERO OC1(C[NH+]2CCN(C3CC3)CC2)CCC1 ZINC000336552713 183018063 /nfs/dbraw/zinc/01/80/63/183018063.db2.gz INQJREWEHWCRKX-UHFFFAOYSA-N 1 0 210.321 0.681 10 0 BCAERO OC1(C[N@@H+]2CC[C@@H](N3CCOCC3)C2)CCC1 ZINC000336711492 183018091 /nfs/dbraw/zinc/01/80/91/183018091.db2.gz MSEBOVCQTSSXBQ-GFCCVEGCSA-N 1 0 240.347 0.308 10 0 BCAERO CCCC[C@@H]([NH3+])C(=O)N1CC[C@@H](O)C1 ZINC000061712444 168967490 /nfs/dbraw/zinc/96/74/90/168967490.db2.gz QFBABZWDDBXHQV-RKDXNWHRSA-N 1 0 200.282 0.097 10 0 BCAERO OCC1(N2CC[NH2+]CC2)CCSCC1 ZINC000041058916 183036961 /nfs/dbraw/zinc/03/69/61/183036961.db2.gz ONEHYSQTLIMUPL-UHFFFAOYSA-N 1 0 216.350 0.150 10 0 BCAERO OCC[N@H+](C[C@]1(CO)CCOC1)C1CCCC1 ZINC000051294803 183067958 /nfs/dbraw/zinc/06/79/58/183067958.db2.gz ZDOUKHRSRNULFX-ZDUSSCGKSA-N 1 0 243.347 0.622 10 0 BCAERO OCCO[C@@H]1CCC[N@H+](Cc2cc[nH]c2)C1 ZINC000128391480 183086639 /nfs/dbraw/zinc/08/66/39/183086639.db2.gz SVNMKRDMLNYALY-GFCCVEGCSA-N 1 0 224.304 0.988 10 0 BCAERO OCC[C@@H]1CC[N@H+](CCCN2CCOCC2)C1 ZINC000336719567 183094396 /nfs/dbraw/zinc/09/43/96/183094396.db2.gz XWWXRCHKNZNIIM-ZDUSSCGKSA-N 1 0 242.363 0.413 10 0 BCAERO OC[C@@H](O)C[NH2+]Cc1c[nH]c2ccccc12 ZINC000083350412 183111511 /nfs/dbraw/zinc/11/15/11/183111511.db2.gz VVHDUHNHIARETF-JTQLQIEISA-N 1 0 220.272 0.611 10 0 BCAERO OC[C@@H](c1ccsc1)N1CC[NH2+]CC1 ZINC000038120750 183114785 /nfs/dbraw/zinc/11/47/85/183114785.db2.gz IVIWPEGTZWWRMP-JTQLQIEISA-N 1 0 212.318 0.687 10 0 BCAERO CCCC[C@H]([NH3+])C(=O)N(C)CC(=O)NCCC ZINC000037799365 169005628 /nfs/dbraw/zinc/00/56/28/169005628.db2.gz DGZLHQIDTDATSN-JTQLQIEISA-N 1 0 243.351 0.489 10 0 BCAERO CCCC[C@H]([NH3+])C(=O)NCc1cn[nH]c1 ZINC000038006673 169007977 /nfs/dbraw/zinc/00/79/77/169007977.db2.gz OBUPORWJDMPALT-VIFPVBQESA-N 1 0 210.281 0.543 10 0 BCAERO OC[C@@H](O)C[NH2+][C@@H]1CCOc2ccccc21 ZINC000051986782 183110524 /nfs/dbraw/zinc/11/05/24/183110524.db2.gz XRFVINHMQWHVMG-GXSJLCMTSA-N 1 0 223.272 0.453 10 0 BCAERO CCCN(C(=O)[C@@H]1C[C@@H](O)C[NH2+]1)C(C)C ZINC000037096211 169045042 /nfs/dbraw/zinc/04/50/42/169045042.db2.gz ADYMJLMFJFKTIT-ZJUUUORDSA-N 1 0 214.309 0.356 10 0 BCAERO OC[C@H]1C[C@H](O)C[N@@H+]1CCOc1ccccc1 ZINC000179177245 183156143 /nfs/dbraw/zinc/15/61/43/183156143.db2.gz ICLRDNXEACGUON-NEPJUHHUSA-N 1 0 237.299 0.493 10 0 BCAERO OC[C@H]([C@@H]1CC=CCC1)[NH+]1CCNCC1 ZINC000038120914 183144850 /nfs/dbraw/zinc/14/48/50/183144850.db2.gz SKZVSHGDBLAYMK-VXGBXAGGSA-N 1 0 210.321 0.609 10 0 BCAERO O[C@@H](CNC1=[NH+]CCN1)c1ccccc1 ZINC000006116392 183178128 /nfs/dbraw/zinc/17/81/28/183178128.db2.gz LLVCMHDFMXAXMV-JTQLQIEISA-N 1 0 205.261 0.269 10 0 BCAERO O[C@@H](C[NH2+]C[C@H]1CCOC1)COC1CCCC1 ZINC000038094418 183178848 /nfs/dbraw/zinc/17/88/48/183178848.db2.gz UUDPENHJRRRXLE-NEPJUHHUSA-N 1 0 243.347 0.933 10 0 BCAERO O[C@@H](C[NH2+]C[C@@H]1CCOC1)COC1CCCC1 ZINC000038094416 183178953 /nfs/dbraw/zinc/17/89/53/183178953.db2.gz UUDPENHJRRRXLE-RYUDHWBXSA-N 1 0 243.347 0.933 10 0 BCAERO O[C@@H](CNCc1ncc[nH]1)C[NH+]1CCCCC1 ZINC000171378839 183179887 /nfs/dbraw/zinc/17/98/87/183179887.db2.gz RMHDKPPLVAQGQT-NSHDSACASA-N 1 0 238.335 0.346 10 0 BCAERO O[C@@H](COC[C@@H]1C[NH2+]CCO1)c1ccccc1 ZINC000033898869 183182408 /nfs/dbraw/zinc/18/24/08/183182408.db2.gz DWFJZBRYOXLXHU-STQMWFEESA-N 1 0 237.299 0.725 10 0 BCAERO O[C@@H]1CCC[C@H]([NH2+]Cc2cncnc2)C1 ZINC000054767865 183197051 /nfs/dbraw/zinc/19/70/51/183197051.db2.gz FQIVXENBLKVOBO-WDEREUQCSA-N 1 0 207.277 0.870 10 0 BCAERO O[C@@H]1CC[NH2+]C[C@@H]1CCc1ccncc1 ZINC000076640683 183200359 /nfs/dbraw/zinc/20/03/59/183200359.db2.gz ZQKZCKDMUZMMPV-NWDGAFQWSA-N 1 0 206.289 0.985 10 0 BCAERO O[C@@H]1CCCC[C@H]1[NH2+]CCN1CCCC1 ZINC000051770042 183190659 /nfs/dbraw/zinc/19/06/59/183190659.db2.gz HCMUPOLEXSMXJK-VXGBXAGGSA-N 1 0 212.337 0.975 10 0 BCAERO O[C@@H]1CCCC[C@H]1[NH2+]Cc1ccncn1 ZINC000054789921 183190824 /nfs/dbraw/zinc/19/08/24/183190824.db2.gz LMTGKXQOXOOCEU-GHMZBOCLSA-N 1 0 207.277 0.870 10 0 BCAERO O[C@H](CN1CCOCC1)C[N@@H+]1C[C@@H]2CCC[C@H]21 ZINC000336708764 183221432 /nfs/dbraw/zinc/22/14/32/183221432.db2.gz JDKHOFXQNQHSSY-YNEHKIRRSA-N 1 0 240.347 0.164 10 0 BCAERO O[C@H](C[NH2+]C1COC1)c1ccc(F)cc1 ZINC000087195401 183222851 /nfs/dbraw/zinc/22/28/51/183222851.db2.gz NAPRGQBUPKCHAM-LLVKDONJSA-N 1 0 211.236 0.848 10 0 BCAERO O[C@H](C[NH2+]C[C@H]1CCOC1)COC1CCCC1 ZINC000038094417 183224273 /nfs/dbraw/zinc/22/42/73/183224273.db2.gz UUDPENHJRRRXLE-VXGBXAGGSA-N 1 0 243.347 0.933 10 0 BCAERO O[C@H](CNCc1cocn1)C[NH+]1CCCCC1 ZINC000192294612 183224609 /nfs/dbraw/zinc/22/46/09/183224609.db2.gz YBUWJQKJWYEXOK-GFCCVEGCSA-N 1 0 239.319 0.611 10 0 BCAERO CCC[N@H+](C)[C@@]1(CN)CN2CCC1CC2 ZINC000037098097 169087278 /nfs/dbraw/zinc/08/72/78/169087278.db2.gz XXPBWQAEXNSJBD-LBPRGKRZSA-N 1 0 211.353 0.751 10 0 BCAERO CCCN([C@@H](C)C(=O)NCC)C1CC[NH2+]CC1 ZINC000037539340 169091639 /nfs/dbraw/zinc/09/16/39/169091639.db2.gz SQXIBFJFBZCNIU-NSHDSACASA-N 1 0 241.379 0.975 10 0 BCAERO CCCN(CC(=O)NC)C(=O)C[NH2+][C@@H](C)CC ZINC000038101074 169093595 /nfs/dbraw/zinc/09/35/95/169093595.db2.gz ITUPEHBYKIDZHY-JTQLQIEISA-N 1 0 243.351 0.359 10 0 BCAERO O[C@@]1(C[NH2+][C@@H]2COc3ccccc3C2)CCOC1 ZINC000328119722 183216059 /nfs/dbraw/zinc/21/60/59/183216059.db2.gz KWYQAOALYMUUSM-GXTWGEPZSA-N 1 0 249.310 0.731 10 0 BCAERO CCCN(CC(=O)OC)C(=O)[C@@H]([NH3+])[C@@H](C)CC ZINC000037813057 169099821 /nfs/dbraw/zinc/09/98/21/169099821.db2.gz PYLGFUGZCZYJKR-ONGXEEELSA-N 1 0 244.335 0.771 10 0 BCAERO O[C@H]1C[NH+](Cc2cccc3c2NCC3)C[C@@H]1O ZINC000236590896 183244004 /nfs/dbraw/zinc/24/40/04/183244004.db2.gz YYZJRKFPRGGYBC-RYUDHWBXSA-N 1 0 234.299 0.192 10 0 BCAERO O[C@H]1COC[C@@H]1[NH2+]Cc1cccc(F)c1 ZINC000037884547 183246905 /nfs/dbraw/zinc/24/69/05/183246905.db2.gz GHIMVOUEMOBCHQ-QWRGUYRKSA-N 1 0 211.236 0.675 10 0 BCAERO O[C@H]1COC[C@H]1[NH2+]CCc1cccs1 ZINC000037880445 183246970 /nfs/dbraw/zinc/24/69/70/183246970.db2.gz SOROHSDYGDKAIA-ZJUUUORDSA-N 1 0 213.302 0.640 10 0 BCAERO O[C@H]1CCCC[C@@H]1[NH2+]Cc1cnccn1 ZINC000054766775 183232495 /nfs/dbraw/zinc/23/24/95/183232495.db2.gz PWWAGWUBAHWERB-QWRGUYRKSA-N 1 0 207.277 0.870 10 0 BCAERO O[C@H]1CCC[C@@H]([NH2+]Cc2cnccn2)C1 ZINC000054766407 183235409 /nfs/dbraw/zinc/23/54/09/183235409.db2.gz ARYPDPKHAYFZJN-KOLCDFICSA-N 1 0 207.277 0.870 10 0 BCAERO CCCN(CCC[NH3+])[C@H]1CCS(=O)(=O)C1 ZINC000037981885 169156095 /nfs/dbraw/zinc/15/60/95/169156095.db2.gz DYIFYOJPEZVUDG-JTQLQIEISA-N 1 0 234.365 0.234 10 0 BCAERO CCCN(CCO)C(=O)[C@@H]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000055133187 169162137 /nfs/dbraw/zinc/16/21/37/169162137.db2.gz GYYJJCWYSMXBHH-UTUOFQBUSA-N 1 0 242.363 0.981 10 0 BCAERO CCCN([C@@H](C)C(=O)N(C)C)[C@@H]1CCC[NH2+]C1 ZINC000104344940 169181806 /nfs/dbraw/zinc/18/18/06/169181806.db2.gz KOXYEKFMZMKLTC-NWDGAFQWSA-N 1 0 241.379 0.927 10 0 BCAERO CCC[NH+]1CCC(NCc2nncn2C)CC1 ZINC000038007408 169187821 /nfs/dbraw/zinc/18/78/21/169187821.db2.gz SQFIEZNDCQMLPV-UHFFFAOYSA-N 1 0 237.351 0.779 10 0 BCAERO CCC[NH+]1CCC(NCC(=O)OC)CC1 ZINC000019885237 169188603 /nfs/dbraw/zinc/18/86/03/169188603.db2.gz RKGYGGPPXDGWLQ-UHFFFAOYSA-N 1 0 214.309 0.623 10 0 BCAERO CCC[NH+]1CCC(N[C@H]2COC[C@H]2O)CC1 ZINC000049555235 169189606 /nfs/dbraw/zinc/18/96/06/169189606.db2.gz SBSWIGYTPUZREA-NWDGAFQWSA-N 1 0 228.336 0.210 10 0 BCAERO CCCN1CCN(C(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000019411939 169201383 /nfs/dbraw/zinc/20/13/83/169201383.db2.gz KBPKWOHXALSUTP-LLVKDONJSA-N 1 0 225.336 0.293 10 0 BCAERO CCCN1CCN(C(=O)C(C)(C)[NH3+])CC1 ZINC000042372720 169201940 /nfs/dbraw/zinc/20/19/40/169201940.db2.gz MZAMXIAMIKQUHE-UHFFFAOYSA-N 1 0 213.325 0.278 10 0 BCAERO CCCNC(=O)CNC(=O)[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000036781290 169225043 /nfs/dbraw/zinc/22/50/43/169225043.db2.gz UANYMOOKPBDCMB-ZJUUUORDSA-N 1 0 241.335 0.017 10 0 BCAERO CCCNC(=O)C[NH2+]CCSCC ZINC000128880243 169225779 /nfs/dbraw/zinc/22/57/79/169225779.db2.gz UCRJNMVBLGTQMZ-UHFFFAOYSA-N 1 0 204.339 0.855 10 0 BCAERO CCCNC(=O)CNCCC[NH+](C)C ZINC000020054138 169226025 /nfs/dbraw/zinc/22/60/25/169226025.db2.gz VJUQOJTZKQYNLQ-UHFFFAOYSA-N 1 0 201.314 0.054 10 0 BCAERO CCCNC(=O)C[NH2+]CC(=O)N(CC)C1CC1 ZINC000049292750 169226130 /nfs/dbraw/zinc/22/61/30/169226130.db2.gz JONKUSMIXRVJMF-UHFFFAOYSA-N 1 0 241.335 0.113 10 0 BCAERO CCCNC(=O)C[NH2+]C1CCC(C(N)=O)CC1 ZINC000038091986 169226412 /nfs/dbraw/zinc/22/64/12/169226412.db2.gz WDVRWAULPGVPJU-UHFFFAOYSA-N 1 0 241.335 0.146 10 0 BCAERO CCCNC(=O)CN[C@H](C)[C@@H]1CCC[N@H+](C)C1 ZINC000036780837 169228557 /nfs/dbraw/zinc/22/85/57/169228557.db2.gz YQVRNGPBLDZVFF-VXGBXAGGSA-N 1 0 241.379 0.833 10 0 BCAERO CCCNC(=O)C[NH2+][C@@H]1CN2CCC1CC2 ZINC000020070802 169228986 /nfs/dbraw/zinc/22/89/86/169228986.db2.gz NUDRZVLGBWEIKP-LLVKDONJSA-N 1 0 225.336 0.196 10 0 BCAERO CCCNC(=O)C[NH2+][C@@H]1CCSC1 ZINC000035135822 169229060 /nfs/dbraw/zinc/22/90/60/169229060.db2.gz FPXLPADGZYEQOC-MRVPVSSYSA-N 1 0 202.323 0.608 10 0 BCAERO c1cc(CN2CC[N@@H+]3CCC[C@@H]3C2)no1 ZINC000083119691 183344856 /nfs/dbraw/zinc/34/48/56/183344856.db2.gz MYGDWPXALUKHMR-LLVKDONJSA-N 1 0 207.277 0.955 10 0 BCAERO CCCNC(=O)C1(C[NH3+])CCOCC1 ZINC000044753630 169213854 /nfs/dbraw/zinc/21/38/54/169213854.db2.gz YFFMCVDRWQRTJB-UHFFFAOYSA-N 1 0 200.282 0.268 10 0 BCAERO c1cc(COCCCN2CC[NH2+]CC2)ccn1 ZINC000077371412 183354874 /nfs/dbraw/zinc/35/48/74/183354874.db2.gz CZQRVVSTYXUISX-UHFFFAOYSA-N 1 0 235.331 0.894 10 0 BCAERO CCCNC(=O)CN(CCC)[C@@H]1CCC[NH2+]C1 ZINC000104336225 169221450 /nfs/dbraw/zinc/22/14/50/169221450.db2.gz MHPJTTBMBBHWTK-GFCCVEGCSA-N 1 0 241.379 0.977 10 0 BCAERO CCC[NH2+]CC(=O)N(CC)[C@H](C)COC ZINC000044650256 169256212 /nfs/dbraw/zinc/25/62/12/169256212.db2.gz JJFLDZJYDPHLML-SNVBAGLBSA-N 1 0 216.325 0.869 10 0 BCAERO CCC[NH2+]CCC(=O)N1CCOCC1 ZINC000072417548 169256851 /nfs/dbraw/zinc/25/68/51/169256851.db2.gz GMAOWSZYSURVDU-UHFFFAOYSA-N 1 0 200.282 0.235 10 0 BCAERO c1cc(CC2=[NH+]CCN2)cc2c1OCO2 ZINC000000009671 183366276 /nfs/dbraw/zinc/36/62/76/183366276.db2.gz ZMRDIMNPBUPLPJ-UHFFFAOYSA-N 1 0 204.229 0.960 10 0 BCAERO c1cc2c(cc1CCN1CC[NH2+]CC1)OCCO2 ZINC000037635593 183366383 /nfs/dbraw/zinc/36/63/83/183366383.db2.gz XOMZNKQFJBHABG-UHFFFAOYSA-N 1 0 248.326 0.906 10 0 BCAERO c1cc2c(cc1C1=[NH+]CCN1)OCCO2 ZINC000034216946 183366482 /nfs/dbraw/zinc/36/64/82/183366482.db2.gz LHCOSZIUDMOCHW-UHFFFAOYSA-N 1 0 204.229 0.808 10 0 BCAERO CCC[NH2+]CCN1C(=O)c2ccncc2C1=O ZINC000071336892 169258247 /nfs/dbraw/zinc/25/82/47/169258247.db2.gz JCKAIGQVKUDRKG-UHFFFAOYSA-N 1 0 233.271 0.677 10 0 BCAERO c1cc(NC2=[NH+]CCN2)cc2c1OCO2 ZINC000028711568 183368891 /nfs/dbraw/zinc/36/88/91/183368891.db2.gz YSPUUFZLWUWKHF-UHFFFAOYSA-N 1 0 205.217 0.786 10 0 BCAERO c1cc(C[C@@H]2C[NH2+]CCN2)cc2c1OCO2 ZINC000078636430 183368963 /nfs/dbraw/zinc/36/89/63/183368963.db2.gz HLCZRAUDFBQUNW-SNVBAGLBSA-N 1 0 220.272 0.519 10 0 BCAERO CCCNC(=O)[C@H](C)NC(=O)[C@@H](C)C[NH2+]CC ZINC000061231362 169245824 /nfs/dbraw/zinc/24/58/24/169245824.db2.gz YERHZTJUAKYRIL-UWVGGRQHSA-N 1 0 243.351 0.263 10 0 BCAERO CCCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1CC(O)C2 ZINC000104260628 169246033 /nfs/dbraw/zinc/24/60/33/169246033.db2.gz KJNODWGIOJSWRY-WSMDXJOWSA-N 1 0 240.347 0.889 10 0 BCAERO CCCNC(=O)[C@H](C)[NH2+]C[C@@H](O)COC(C)C ZINC000049203317 169246370 /nfs/dbraw/zinc/24/63/70/169246370.db2.gz HRVQLCWQFGAHSP-WDEREUQCSA-N 1 0 246.351 0.277 10 0 BCAERO CCCNC(=O)[C@H]1CCCN1C1CC[NH2+]CC1 ZINC000038042795 169248328 /nfs/dbraw/zinc/24/83/28/169248328.db2.gz RXAPWBIKJDWOCF-GFCCVEGCSA-N 1 0 239.363 0.729 10 0 BCAERO c1ccc(-n2nnnc2N2CCC[NH2+]CC2)cc1 ZINC000003716238 183387619 /nfs/dbraw/zinc/38/76/19/183387619.db2.gz YDTWGXRQNZMEBH-UHFFFAOYSA-N 1 0 244.302 0.462 10 0 BCAERO CCCN[C@H](CC[N@@H+]1CCC[C@H](C)C1)C(N)=O ZINC000062441049 169288882 /nfs/dbraw/zinc/28/88/82/169288882.db2.gz KJDFSHDODFFPSP-NWDGAFQWSA-N 1 0 241.379 0.962 10 0 BCAERO CCCOCC(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000226270070 169307055 /nfs/dbraw/zinc/30/70/55/169307055.db2.gz WVOGJTDONGLVDW-VHSXEESVSA-N 1 0 214.309 0.657 10 0 BCAERO CCCO[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000040501319 169310515 /nfs/dbraw/zinc/31/05/15/169310515.db2.gz KTGSKJYXZLIGDE-SECBINFHSA-N 1 0 200.282 0.363 10 0 BCAERO CCCO[C@@H]1CCCN(C(=O)[C@@H](C)[NH3+])C1 ZINC000040501355 169311185 /nfs/dbraw/zinc/31/11/85/169311185.db2.gz KQHQOCLIGOGHBS-NXEZZACHSA-N 1 0 214.309 0.751 10 0 BCAERO CC(C)(C)[NH2+]CCN1C(=O)NC(C)(C)C1=O ZINC000042239870 166632310 /nfs/dbraw/zinc/63/23/10/166632310.db2.gz USGGSADTQGRNBO-UHFFFAOYSA-N 1 0 227.308 0.705 10 0 BCAERO CCCS(=O)(=O)NCC[C@H]1CCCC[NH2+]1 ZINC000019489125 169332554 /nfs/dbraw/zinc/33/25/54/169332554.db2.gz YTGHESCBYZUNDE-SNVBAGLBSA-N 1 0 234.365 0.848 10 0 BCAERO c1cnc2[nH]c(CN3CC[NH2+]CC3)nc2c1 ZINC000051640082 183487082 /nfs/dbraw/zinc/48/70/82/183487082.db2.gz RPZNODSJZUNWFK-UHFFFAOYSA-N 1 0 217.276 0.363 10 0 BCAERO CCC[C@@H](C)[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC000035053399 169370183 /nfs/dbraw/zinc/37/01/83/169370183.db2.gz XSWDZOZQIKOXDB-SECBINFHSA-N 1 0 239.319 0.362 10 0 BCAERO CCC[C@@H](C)N(C)C(=O)[C@@H](C)N1CC[NH2+]CC1 ZINC000036791674 169363354 /nfs/dbraw/zinc/36/33/54/169363354.db2.gz CBJPWSXKAPORFN-VXGBXAGGSA-N 1 0 241.379 0.927 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)N1CCO[C@@H](CC)C1 ZINC000036873329 169387586 /nfs/dbraw/zinc/38/75/86/169387586.db2.gz QDZYTUBOKATQIL-VHSXEESVSA-N 1 0 214.309 0.751 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)N1CCC[C@H](C(=O)NC)C1 ZINC000159751875 169387742 /nfs/dbraw/zinc/38/77/42/169387742.db2.gz RGFOCZOUKJCGQI-VHSXEESVSA-N 1 0 241.335 0.098 10 0 BCAERO CCC[C@@H](C)[NH2+][C@@H]1CCS(=O)(=O)C1 ZINC000003331309 169371522 /nfs/dbraw/zinc/37/15/22/169371522.db2.gz SJSYSSJFXLHIKT-RKDXNWHRSA-N 1 0 205.323 0.952 10 0 BCAERO CCC[C@@H](C)[NH2+][C@H]1CCS(=O)(=O)C1 ZINC000006048778 169371812 /nfs/dbraw/zinc/37/18/12/169371812.db2.gz SJSYSSJFXLHIKT-BDAKNGLRSA-N 1 0 205.323 0.952 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)N1CCO[C@H](C)C1 ZINC000036872615 169388199 /nfs/dbraw/zinc/38/81/99/169388199.db2.gz HVXGXZAATBBIGG-RKDXNWHRSA-N 1 0 200.282 0.361 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)N[C@@H](C)CCC(=O)OCC ZINC000182857469 169390071 /nfs/dbraw/zinc/39/00/71/169390071.db2.gz YLNPYBNGSAPBAL-VHSXEESVSA-N 1 0 244.335 0.962 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)NC[C@H](O)COCC(C)C ZINC000182402441 169388803 /nfs/dbraw/zinc/38/88/03/169388803.db2.gz JBMHVYVTOBKIHK-WDEREUQCSA-N 1 0 246.351 0.264 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)NCCCOCC ZINC000036872949 169389121 /nfs/dbraw/zinc/38/91/21/169389121.db2.gz DCJNUZLOHSIGDY-SECBINFHSA-N 1 0 202.298 0.657 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)NCC(C)(C)OC ZINC000133418633 169389222 /nfs/dbraw/zinc/38/92/22/169389222.db2.gz SVPXOHUIEIGORK-MRVPVSSYSA-N 1 0 202.298 0.655 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)N[C@H]1CCN(C(C)C)C1=O ZINC000237002881 169391410 /nfs/dbraw/zinc/39/14/10/169391410.db2.gz MTJAKFOHRDZBCZ-ZJUUUORDSA-N 1 0 241.335 0.239 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)N[C@@H](CC)C(=O)OC ZINC000236984598 169390843 /nfs/dbraw/zinc/39/08/43/169390843.db2.gz LEFUGFPJLGNRHA-SFYZADRCSA-N 1 0 216.281 0.182 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)N[C@@H](C(=O)OC)C(C)C ZINC000040437977 169391253 /nfs/dbraw/zinc/39/12/53/169391253.db2.gz ZNYVKKPCYXAZNY-RKDXNWHRSA-N 1 0 230.308 0.428 10 0 BCAERO CCC[C@@H]([NH3+])C[C@H]1CCS(=O)(=O)C1 ZINC000038085264 169393221 /nfs/dbraw/zinc/39/32/21/169393221.db2.gz TUCBJYDBVGXRTR-RKDXNWHRSA-N 1 0 205.323 0.939 10 0 BCAERO C[NH2+]C[C@H]1C[C@H](F)CN1Cc1ccnn1C ZINC000396471412 259601290 /nfs/dbraw/zinc/60/12/90/259601290.db2.gz PFMJNYUYQKSHPM-GXSJLCMTSA-N 1 0 226.299 0.552 10 0 BCAERO CCC[C@@]1(C(=O)N2CC[C@@H](O)C2)CCC[NH2+]C1 ZINC000062861389 169460256 /nfs/dbraw/zinc/46/02/56/169460256.db2.gz CASLGTVKXRYGJO-DGCLKSJQSA-N 1 0 240.347 0.750 10 0 BCAERO CCC[C@H](C)N(C)C(=O)[C@H](C)N1CC[NH2+]CC1 ZINC000036791679 169486230 /nfs/dbraw/zinc/48/62/30/169486230.db2.gz CBJPWSXKAPORFN-RYUDHWBXSA-N 1 0 241.379 0.927 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N(CCOC)CCOC ZINC000036873436 169500581 /nfs/dbraw/zinc/50/05/81/169500581.db2.gz IKNKKWMPHBTQAM-JTQLQIEISA-N 1 0 232.324 0.235 10 0 BCAERO CC(C)(C)OC(=O)[C@@H]1C[C@H]([NH3+])[C@@H](O)C1 ZINC000307056076 166672614 /nfs/dbraw/zinc/67/26/14/166672614.db2.gz BFNLOKNWCXPVKK-CSMHCCOUSA-N 1 0 201.266 0.426 10 0 BCAERO CCN(C(=O)C1CCOCC1)[C@H]1CC[NH2+]C1 ZINC000037469854 169631233 /nfs/dbraw/zinc/63/12/33/169631233.db2.gz RIKJNGLNFZTGGE-NSHDSACASA-N 1 0 226.320 0.623 10 0 BCAERO CCN(C(=O)[C@@H]1CCCO1)[C@H]1CC[NH2+]C1 ZINC000037469874 169649113 /nfs/dbraw/zinc/64/91/13/169649113.db2.gz PWSKIDLSAVZOCX-UWVGGRQHSA-N 1 0 212.293 0.376 10 0 BCAERO CCN(C(=O)c1cnns1)C1CC[NH2+]CC1 ZINC000037469402 169661695 /nfs/dbraw/zinc/66/16/95/169661695.db2.gz IVNAXSHMMFSMHX-UHFFFAOYSA-N 1 0 240.332 0.752 10 0 BCAERO CN(C)c1nc2c(c(=O)[nH]1)CC[N@H+](C)CC2 ZINC000257180567 383859279 /nfs/dbraw/zinc/85/92/79/383859279.db2.gz LEBKYLIGJCQBKB-UHFFFAOYSA-N 1 0 222.292 0.279 10 0 BCAERO C[C@H](O)CCN1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000227474913 134384240 /nfs/dbraw/zinc/38/42/40/134384240.db2.gz LTDIZPKQIYXLAW-SRVKXCTJSA-N 1 0 212.337 0.926 10 0 BCAERO CN(CCOCC[NH3+])C(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000301050981 383880916 /nfs/dbraw/zinc/88/09/16/383880916.db2.gz SZTJNFVXRGGNGR-JGPRNRPPSA-N 1 0 226.320 0.466 10 0 BCAERO FC(F)COc1ccc(N2CC[NH2+]CC2)nn1 ZINC000575622826 383872833 /nfs/dbraw/zinc/87/28/33/383872833.db2.gz VENFTKKFIZRDRX-UHFFFAOYSA-N 1 0 244.245 0.530 10 0 BCAERO CC[C@@H]1CCN(C(=O)[C@@H]2C[NH2+]CCOC2)C1 ZINC000643734212 383873524 /nfs/dbraw/zinc/87/35/24/383873524.db2.gz YBRQGKWQHREWPR-GHMZBOCLSA-N 1 0 226.320 0.481 10 0 BCAERO [NH3+]C1(C(=O)N2CCn3ccnc3C2)CCC1 ZINC000088051099 383877853 /nfs/dbraw/zinc/87/78/53/383877853.db2.gz OCNXGLTVEBYNOW-UHFFFAOYSA-N 1 0 220.276 0.107 10 0 BCAERO Cc1ccc(NC(=O)[C@H]2C[NH2+]CCOC2)cn1 ZINC000643774554 383833022 /nfs/dbraw/zinc/83/30/22/383833022.db2.gz FKBGDONRNQAYDI-JTQLQIEISA-N 1 0 235.287 0.565 10 0 BCAERO Cc1ccc(C[NH2+][C@H]2COC[C@H]2O)s1 ZINC000050225468 383980750 /nfs/dbraw/zinc/98/07/50/383980750.db2.gz JFOAZYOHXQNFCC-VHSXEESVSA-N 1 0 213.302 0.906 10 0 BCAERO CC[C@@H](C)NC(=O)[C@@]1(COC)CCC[NH2+]1 ZINC000643613820 383994339 /nfs/dbraw/zinc/99/43/39/383994339.db2.gz DLRVGVKIURTBHH-KOLCDFICSA-N 1 0 214.309 0.670 10 0 BCAERO CCN(CC)C(=O)[C@H](C)[N@@H+]1CC[C@@H](CCO)C1 ZINC000227575013 134385552 /nfs/dbraw/zinc/38/55/52/134385552.db2.gz AGKJWHQHMKRDAJ-RYUDHWBXSA-N 1 0 242.363 0.948 10 0 BCAERO O=C(NCCc1ccccc1)[C@H]1C[NH2+]CCOC1 ZINC000643614363 383998385 /nfs/dbraw/zinc/99/83/85/383998385.db2.gz UIVNPFBZSYGYTH-ZDUSSCGKSA-N 1 0 248.326 0.581 10 0 BCAERO O=S1(=O)CCC[C@@H]1C1CC[NH2+]CC1 ZINC000068590521 384001381 /nfs/dbraw/zinc/00/13/81/384001381.db2.gz CUVAAAFYMPZIIH-SECBINFHSA-N 1 0 203.307 0.563 10 0 BCAERO O=C1NCCC[C@H]1[NH2+][C@@H]1CCSC1 ZINC000050393981 384016829 /nfs/dbraw/zinc/01/68/29/384016829.db2.gz QMJCZNYMTBGTBR-HTQZYQBOSA-N 1 0 200.307 0.360 10 0 BCAERO C[C@H]1CCCN(C(=O)[C@@H]2C[NH2+]CCOC2)C1 ZINC000643614540 384017036 /nfs/dbraw/zinc/01/70/36/384017036.db2.gz BFGLOEACLCYXIY-WDEREUQCSA-N 1 0 226.320 0.481 10 0 BCAERO C[C@@H]1C[C@H](C)CN(C(=O)[C@H]2C[NH2+]CCOC2)C1 ZINC000643614575 384017581 /nfs/dbraw/zinc/01/75/81/384017581.db2.gz CEPKNVADGACMKW-TUAOUCFPSA-N 1 0 240.347 0.727 10 0 BCAERO O=C(NCC1CCCCC1)[C@H]1C[NH2+]CCOC1 ZINC000643615178 384018385 /nfs/dbraw/zinc/01/83/85/384018385.db2.gz DTXIWAUBPRKVBS-LBPRGKRZSA-N 1 0 240.347 0.919 10 0 BCAERO CNC(=O)C1(CCOC)CC[NH2+]CC1 ZINC000643615438 384004100 /nfs/dbraw/zinc/00/41/00/384004100.db2.gz LQUKJGLBSLLTNA-UHFFFAOYSA-N 1 0 200.282 0.139 10 0 BCAERO CCOCCCNC(=O)[C@]1(COC)CCC[NH2+]1 ZINC000643616115 384007385 /nfs/dbraw/zinc/00/73/85/384007385.db2.gz JOKJOPBTMIYZRP-GFCCVEGCSA-N 1 0 244.335 0.298 10 0 BCAERO Cc1cnccc1CNC(=O)[C@H]1C[NH2+]CCOC1 ZINC000643778480 384007445 /nfs/dbraw/zinc/00/74/45/384007445.db2.gz FGOCIQLFOMNFPP-LBPRGKRZSA-N 1 0 249.314 0.242 10 0 BCAERO CC(C)C[C@@H](C)NC(=O)[C@H]1C[NH2+]CCOC1 ZINC000643779584 384056242 /nfs/dbraw/zinc/05/62/42/384056242.db2.gz JQBRGEAMFLUANT-MNOVXSKESA-N 1 0 228.336 0.773 10 0 BCAERO COC[C@@]1(C(=O)NCCOC(C)C)CCC[NH2+]1 ZINC000643779420 384057412 /nfs/dbraw/zinc/05/74/12/384057412.db2.gz AHOZFWPLMJXXOE-GFCCVEGCSA-N 1 0 244.335 0.296 10 0 BCAERO C[C@@H]1CCN(C(=O)[C@@H]2C[NH2+]CCOC2)C[C@H]1C ZINC000643779859 384062737 /nfs/dbraw/zinc/06/27/37/384062737.db2.gz UYQNXPQBWPTXAT-IJLUTSLNSA-N 1 0 240.347 0.727 10 0 BCAERO C[NH+](C)[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1CO ZINC000257186537 384067713 /nfs/dbraw/zinc/06/77/13/384067713.db2.gz ZGKDAEWLTNBSEJ-GHMZBOCLSA-N 1 0 226.320 0.167 10 0 BCAERO Cc1nnc2c(N3CC[C@](C)(C[NH3+])C3)nccn12 ZINC000235963607 384082880 /nfs/dbraw/zinc/08/28/80/384082880.db2.gz PVIJCWKVZYFQRB-GFCCVEGCSA-N 1 0 246.318 0.608 10 0 BCAERO COC[C@@]1(C(=O)N[C@H]2CCSC2)CCC[NH2+]1 ZINC000643705372 384111666 /nfs/dbraw/zinc/11/16/66/384111666.db2.gz PPJNLXHDHRIARQ-GXSJLCMTSA-N 1 0 244.360 0.377 10 0 BCAERO C[NH2+][C@@H](C)CNC(=O)c1ccc2n[nH]cc2c1 ZINC000648131410 384094382 /nfs/dbraw/zinc/09/43/82/384094382.db2.gz ICSVNIHQRGZPAZ-QMMMGPOBSA-N 1 0 232.287 0.901 10 0 BCAERO C[C@H](NS(C)(=O)=O)[C@@H]1CCCC[NH2+]1 ZINC000035691704 384095005 /nfs/dbraw/zinc/09/50/05/384095005.db2.gz HHAQXVFMXVQYHA-YUMQZZPRSA-N 1 0 206.311 0.066 10 0 BCAERO CN(C(=O)[C@@H]1C[NH2+]CCOC1)C1CCCC1 ZINC000643624177 384119482 /nfs/dbraw/zinc/11/94/82/384119482.db2.gz MPVCFGYJKRVXFE-SNVBAGLBSA-N 1 0 226.320 0.623 10 0 BCAERO CCOc1cncc(NC[C@@H](C)C[NH3+])n1 ZINC000084901593 384126494 /nfs/dbraw/zinc/12/64/94/384126494.db2.gz GQXBRPIOIMGHDE-QMMMGPOBSA-N 1 0 210.281 0.882 10 0 BCAERO C[C@H]1CN(C(=O)[C@@H]2C[NH2+]CCOC2)C[C@H]1C ZINC000643705893 384128416 /nfs/dbraw/zinc/12/84/16/384128416.db2.gz DTANBHLGWFGMDX-OUAUKWLOSA-N 1 0 226.320 0.337 10 0 BCAERO NC(=O)c1ccc(C[NH2+]CC2CC(O)C2)cc1 ZINC000091525937 384131264 /nfs/dbraw/zinc/13/12/64/384131264.db2.gz KAVAPYROLJLTSE-UHFFFAOYSA-N 1 0 234.299 0.646 10 0 BCAERO C[NH+](C)C[C@@H]1CN(C(=O)c2ccon2)CCO1 ZINC000116791190 384156057 /nfs/dbraw/zinc/15/60/57/384156057.db2.gz WPQFLRJSRMIFFF-SECBINFHSA-N 1 0 239.275 0.077 10 0 BCAERO COc1cc(C)nc(N(C)CCOCC[NH3+])n1 ZINC000302411124 384168703 /nfs/dbraw/zinc/16/87/03/384168703.db2.gz PVXDWWUEAJEHRD-UHFFFAOYSA-N 1 0 240.307 0.205 10 0 BCAERO [NH3+]CCS(=O)(=O)c1ccc(F)c(F)c1 ZINC000036160509 384170916 /nfs/dbraw/zinc/17/09/16/384170916.db2.gz QWPRTATUSKKXLH-UHFFFAOYSA-N 1 0 221.228 0.697 10 0 BCAERO CS[C@H](C)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000237415781 384180511 /nfs/dbraw/zinc/18/05/11/384180511.db2.gz ROTNIKYSRZQSJV-HTQZYQBOSA-N 1 0 202.323 0.688 10 0 BCAERO C[C@H]1[C@H]([NH3+])CCN1C(=O)c1n[nH]c2c1CCCC2 ZINC000643590734 384182860 /nfs/dbraw/zinc/18/28/60/384182860.db2.gz WLZYNMDNOZITRX-WCBMZHEXSA-N 1 0 248.330 0.850 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N[C@@H](C)[C@@H](C)CO ZINC000163235249 384183905 /nfs/dbraw/zinc/18/39/05/384183905.db2.gz NPJOIHZGAAKBLQ-CIUDSAMLSA-N 1 0 202.298 0.247 10 0 BCAERO C[C@@H]1CCC[C@H](NC(=O)[C@@H]2C[NH2+]CCOC2)C1 ZINC000643633821 384205476 /nfs/dbraw/zinc/20/54/76/384205476.db2.gz SEPBELHLRKATMJ-UTUOFQBUSA-N 1 0 240.347 0.917 10 0 BCAERO O=C(NCc1ccsc1)[C@H]1C[NH2+]CCOC1 ZINC000643633939 384206882 /nfs/dbraw/zinc/20/68/82/384206882.db2.gz UQQAZRWXWPONSE-JTQLQIEISA-N 1 0 240.328 0.600 10 0 BCAERO [NH3+]CCc1nnc2ccc(Br)cn21 ZINC000036240530 384186159 /nfs/dbraw/zinc/18/61/59/384186159.db2.gz KSLPKCDPVOULLQ-UHFFFAOYSA-N 1 0 241.092 0.993 10 0 BCAERO CC[C@H](CO)[NH2+]Cc1ccnc(N(C)C)n1 ZINC000132407650 384188675 /nfs/dbraw/zinc/18/86/75/384188675.db2.gz PDDKNGOBWMEWQX-SECBINFHSA-N 1 0 224.308 0.403 10 0 BCAERO CCCN(C)C(=O)[C@]1(COC)CCC[NH2+]1 ZINC000643629474 384192124 /nfs/dbraw/zinc/19/21/24/384192124.db2.gz LCPDYEROGFUFTD-LLVKDONJSA-N 1 0 214.309 0.623 10 0 BCAERO CCCN(CC)C(=O)[C@@H]1C[NH2+]CCOC1 ZINC000643629494 384192477 /nfs/dbraw/zinc/19/24/77/384192477.db2.gz MGBMITUZTKDPGE-SNVBAGLBSA-N 1 0 214.309 0.481 10 0 BCAERO CC(C)CN(C)C(=O)[C@@H]1C[NH2+]CCOC1 ZINC000643630212 384193532 /nfs/dbraw/zinc/19/35/32/384193532.db2.gz ZASXTGYQAVMHMS-SNVBAGLBSA-N 1 0 214.309 0.337 10 0 BCAERO COC[C@]1(C(=O)NCC(C)(C)C)CCC[NH2+]1 ZINC000643630321 384196045 /nfs/dbraw/zinc/19/60/45/384196045.db2.gz FLFNKBLHADCHRQ-LBPRGKRZSA-N 1 0 228.336 0.917 10 0 BCAERO c1cc2c(ncnc2NC[C@@H]2C[NH2+]CCOC2)[nH]1 ZINC000072171411 384198766 /nfs/dbraw/zinc/19/87/66/384198766.db2.gz YVYBPVHLDAFCIA-VIFPVBQESA-N 1 0 247.302 0.606 10 0 BCAERO CN(c1ncncc1Cl)[C@H]1CC[NH2+]C1 ZINC000163680374 384230106 /nfs/dbraw/zinc/23/01/06/384230106.db2.gz HZNSAMSDCQPCCM-ZETCQYMHSA-N 1 0 212.684 0.928 10 0 BCAERO CS(=O)(=O)c1cccnc1N[C@@H]1CC[NH2+]C1 ZINC000166947618 384231312 /nfs/dbraw/zinc/23/13/12/384231312.db2.gz WXWWQUJUEXKYJA-MRVPVSSYSA-N 1 0 241.316 0.259 10 0 BCAERO COCCCN(C)C(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000082560130 384236984 /nfs/dbraw/zinc/23/69/84/384236984.db2.gz JFIURTCVWRJSTP-NXEZZACHSA-N 1 0 214.309 0.337 10 0 BCAERO COC[C@H](C)CNC(=O)[C@H]1C[NH2+]C[C@H]1C ZINC000082559980 384237219 /nfs/dbraw/zinc/23/72/19/384237219.db2.gz PIHWEQYHYBHPEH-BBBLOLIVSA-N 1 0 214.309 0.241 10 0 BCAERO C[C@H]([NH2+][C@@H]1CCC(=O)N[C@@H]1C)c1cnn(C)c1 ZINC000282325794 384237698 /nfs/dbraw/zinc/23/76/98/384237698.db2.gz NWDWBVLXLNCRER-IQJOONFLSA-N 1 0 236.319 0.738 10 0 BCAERO Cc1ccc(O)c(C[NH2+][C@@H]2CCC(=O)N[C@@H]2C)n1 ZINC000282334315 384238313 /nfs/dbraw/zinc/23/83/13/384238313.db2.gz LTBHPPZMPLZTOF-NXEZZACHSA-N 1 0 249.314 0.852 10 0 BCAERO O=C(NCC1CCC1)[C@@H]1C[NH2+]CCOC1 ZINC000643638620 384239577 /nfs/dbraw/zinc/23/95/77/384239577.db2.gz IEGQJTUEYUOAIQ-SNVBAGLBSA-N 1 0 212.293 0.139 10 0 BCAERO CCn1ccnc(NCC(C)(C)[NH3+])c1=O ZINC000168410678 384213537 /nfs/dbraw/zinc/21/35/37/384213537.db2.gz WSYHGYMNXZTMIF-UHFFFAOYSA-N 1 0 210.281 0.412 10 0 BCAERO C[C@H]1CC[C@@H](O)C[N@@H+]1CCc1cnccn1 ZINC000402899623 384222478 /nfs/dbraw/zinc/22/24/78/384222478.db2.gz GPHQEWGGQMRONL-CMPLNLGQSA-N 1 0 221.304 0.864 10 0 BCAERO CO[C@@H]1C[C@@H](CO)[N@H+](CCc2cnccn2)C1 ZINC000402896265 384222860 /nfs/dbraw/zinc/22/28/60/384222860.db2.gz IJQMKTVUSSNFOJ-NWDGAFQWSA-N 1 0 237.303 0.101 10 0 BCAERO Cc1cnn(CC[NH2+][C@@H]2CO[C@@H](C)C2)c1 ZINC000401909273 384248541 /nfs/dbraw/zinc/24/85/41/384248541.db2.gz JLQBCIWVFCFAGG-QWRGUYRKSA-N 1 0 209.293 0.959 10 0 BCAERO Cc1nc(N)nc(N[C@H]2CCCC[C@H]2O)n1 ZINC000304402128 384277225 /nfs/dbraw/zinc/27/72/25/384277225.db2.gz AZAYAYZKJLODHD-JGVFFNPUSA-N 1 0 223.280 0.478 10 0 BCAERO NC(=O)c1ccc(N[C@@H](C[NH3+])C2CCCC2)nn1 ZINC000236215595 384252782 /nfs/dbraw/zinc/25/27/82/384252782.db2.gz KKERPTHNPJGAIT-JTQLQIEISA-N 1 0 249.318 0.505 10 0 BCAERO [NH3+][C@H](CO)[C@H](O)c1ccc(Cl)c(F)c1 ZINC000074077821 384273175 /nfs/dbraw/zinc/27/31/75/384273175.db2.gz LXRBJLLDUYVYTH-RKDXNWHRSA-N 1 0 219.643 0.832 10 0 BCAERO C[NH2+][C@@H]1CCC2(C[C@@H]1N(C)C)OCCO2 ZINC000043815907 384304331 /nfs/dbraw/zinc/30/43/31/384304331.db2.gz VVVLYOVSAAKPCH-ZJUUUORDSA-N 1 0 214.309 0.432 10 0 BCAERO CC1(NC(=O)[C@@H]2C[NH2+]CCOC2)CCCC1 ZINC000643647553 384308455 /nfs/dbraw/zinc/30/84/55/384308455.db2.gz JWRCWMVRNKDULR-SNVBAGLBSA-N 1 0 226.320 0.671 10 0 BCAERO CC[C@@H](C)N(C)C(=O)[C@H]1C[NH2+]CCOC1 ZINC000643648105 384314579 /nfs/dbraw/zinc/31/45/79/384314579.db2.gz NGEAQROUBHUUII-ZJUUUORDSA-N 1 0 214.309 0.479 10 0 BCAERO CC[C@H]1CCCN(C(=O)[C@@H]2C[NH2+]CCOC2)C1 ZINC000643644592 384279211 /nfs/dbraw/zinc/27/92/11/384279211.db2.gz ZHMFIWJUVCGHCG-NWDGAFQWSA-N 1 0 240.347 0.871 10 0 BCAERO CCC[C@H](C)N(C)C(=O)[C@@H]1C[NH2+]CCOC1 ZINC000643644738 384279484 /nfs/dbraw/zinc/27/94/84/384279484.db2.gz ZNISOGBJJILIBL-WDEREUQCSA-N 1 0 228.336 0.869 10 0 BCAERO C[C@@H]([NH3+])CCNS(=O)(=O)CC1CC1 ZINC000083141089 384284389 /nfs/dbraw/zinc/28/43/89/384284389.db2.gz QQFLALMBFYKJDZ-SSDOTTSWSA-N 1 0 206.311 0.053 10 0 BCAERO O=[S@@](c1ncc(Cl)cn1)[C@H]1CC[NH2+]C1 ZINC000095070009 384335137 /nfs/dbraw/zinc/33/51/37/384335137.db2.gz OYIIOFOUWRKLCE-WJWGPLDTSA-N 1 0 231.708 0.600 10 0 BCAERO CN(CC(=O)c1ccc[nH]1)[C@H]1CC[NH2+]C1 ZINC000095070689 384337422 /nfs/dbraw/zinc/33/74/22/384337422.db2.gz QVNDWSJAFSIVLC-VIFPVBQESA-N 1 0 207.277 0.491 10 0 BCAERO CN(c1nc2cccnc2[nH]1)[C@@H]1CC[NH2+]C1 ZINC000095070549 384337546 /nfs/dbraw/zinc/33/75/46/384337546.db2.gz QHWZRWLVURJQAI-MRVPVSSYSA-N 1 0 217.276 0.708 10 0 BCAERO Clc1nccc(CN[C@@H]2CCC[NH2+]C2)n1 ZINC000095070296 384337554 /nfs/dbraw/zinc/33/75/54/384337554.db2.gz YOUCHAAESAFVQG-MRVPVSSYSA-N 1 0 226.711 0.972 10 0 BCAERO CN(Cc1nccnc1Cl)[C@H]1CC[NH2+]C1 ZINC000095070741 384339255 /nfs/dbraw/zinc/33/92/55/384339255.db2.gz ZGVNWDKWBWYKOA-QMMMGPOBSA-N 1 0 226.711 0.924 10 0 BCAERO C[NH2+][C@@H]1CCCN(CC(=O)c2cnccn2)C1 ZINC000095071493 384340283 /nfs/dbraw/zinc/34/02/83/384340283.db2.gz AFCBJIWDQFIRFM-SNVBAGLBSA-N 1 0 234.303 0.343 10 0 BCAERO CN(CC(=O)c1nccs1)C[C@@H]1CC[NH2+]C1 ZINC000095071282 384340403 /nfs/dbraw/zinc/34/04/03/384340403.db2.gz XBIISQQZSAUWOT-SECBINFHSA-N 1 0 239.344 0.867 10 0 BCAERO C[NH2+][C@@H]1CCCN(CC(=O)c2ccc[nH]2)C1 ZINC000095071487 384340485 /nfs/dbraw/zinc/34/04/85/384340485.db2.gz QCBBDRBNGQXURB-SNVBAGLBSA-N 1 0 221.304 0.881 10 0 BCAERO C[NH2+][C@H]1CCCN(Cc2nccnc2OC)C1 ZINC000095071510 384341323 /nfs/dbraw/zinc/34/13/23/384341323.db2.gz QSUUGXCNQPZJJI-JTQLQIEISA-N 1 0 236.319 0.669 10 0 BCAERO O=S(=O)(c1ncc(F)cn1)[C@@H]1CCC[NH2+]C1 ZINC000095071976 384341361 /nfs/dbraw/zinc/34/13/61/384341361.db2.gz NXDSYYTUALHWPB-MRVPVSSYSA-N 1 0 245.279 0.141 10 0 BCAERO CN(CC(=O)c1cnccn1)C[C@@H]1CC[NH2+]C1 ZINC000095071280 384341398 /nfs/dbraw/zinc/34/13/98/384341398.db2.gz AMEOMCVZVMTVMX-SNVBAGLBSA-N 1 0 234.303 0.201 10 0 BCAERO O=[S@](C[C@H]1CCCC[NH2+]1)c1ncc(F)cn1 ZINC000095072001 384341943 /nfs/dbraw/zinc/34/19/43/384341943.db2.gz RGGYSICCBVHGHI-ABKXIKBNSA-N 1 0 243.307 0.865 10 0 BCAERO O=[S@@](c1ncc(F)cn1)[C@H]1CC[NH2+]C1 ZINC000095071991 384342093 /nfs/dbraw/zinc/34/20/93/384342093.db2.gz ZBFCACTXJNXKPG-WJWGPLDTSA-N 1 0 215.253 0.085 10 0 BCAERO [NH3+][C@H]1CCN(CC(=O)c2nccs2)C1 ZINC000095072154 384343237 /nfs/dbraw/zinc/34/32/37/384343237.db2.gz DJGUMJWEXPWONQ-ZETCQYMHSA-N 1 0 211.290 0.359 10 0 BCAERO [NH3+]C[C@H]1CCCCN1CC(=O)c1cnccn1 ZINC000095072443 384343271 /nfs/dbraw/zinc/34/32/71/384343271.db2.gz RWPMSGJHRDAWIE-SNVBAGLBSA-N 1 0 234.303 0.473 10 0 BCAERO Nc1nc2ccccc2nc1O[C@H]1CC[NH2+]C1 ZINC000095072182 384343275 /nfs/dbraw/zinc/34/32/75/384343275.db2.gz OIZWEYZBKJTKMB-QMMMGPOBSA-N 1 0 230.271 0.953 10 0 BCAERO CC[C@H](C)[C@@H](C)NC(=O)[C@@H]1C[NH2+]CCOC1 ZINC000643652712 384343634 /nfs/dbraw/zinc/34/36/34/384343634.db2.gz QWRQEHFTHHOGRU-HBNTYKKESA-N 1 0 228.336 0.773 10 0 BCAERO O=S(=O)(Cc1ccncc1)[C@@H]1CCC[NH2+]C1 ZINC000095073116 384344921 /nfs/dbraw/zinc/34/49/21/384344921.db2.gz PMYZKJISHMRFJM-LLVKDONJSA-N 1 0 240.328 0.748 10 0 BCAERO O=C(CO[C@H]1CC[NH2+]C1)c1ccccn1 ZINC000095072842 384345101 /nfs/dbraw/zinc/34/51/01/384345101.db2.gz LCXZFNHOJARRHZ-VIFPVBQESA-N 1 0 206.245 0.643 10 0 BCAERO O=S(=O)(C[C@@H]1CCCC[NH2+]1)c1cnccn1 ZINC000095073147 384345128 /nfs/dbraw/zinc/34/51/28/384345128.db2.gz UAKLVPQOBLSYPV-VIFPVBQESA-N 1 0 241.316 0.392 10 0 BCAERO C[C@H]1C[C@H](O)C[N@H+](CCn2cccn2)C1 ZINC000335585661 384345155 /nfs/dbraw/zinc/34/51/55/384345155.db2.gz COOXTEXYAJJNTK-QWRGUYRKSA-N 1 0 209.293 0.586 10 0 BCAERO O=C(CNC[C@@H]1CCCC[NH2+]1)c1ccccn1 ZINC000095072773 384345229 /nfs/dbraw/zinc/34/52/29/384345229.db2.gz WCYVYJQGAZCYRS-NSHDSACASA-N 1 0 233.315 0.996 10 0 BCAERO O=C(CNC[C@H]1CCCC[NH2+]1)c1ccccn1 ZINC000095072774 384345316 /nfs/dbraw/zinc/34/53/16/384345316.db2.gz WCYVYJQGAZCYRS-LLVKDONJSA-N 1 0 233.315 0.996 10 0 BCAERO O=S(=O)(Cc1cccnc1)[C@@H]1CCC[NH2+]C1 ZINC000095073098 384345832 /nfs/dbraw/zinc/34/58/32/384345832.db2.gz DRSUUSHGSHVHIP-LLVKDONJSA-N 1 0 240.328 0.748 10 0 BCAERO O=C(CNC[C@H]1CCC[NH2+]C1)c1cnccn1 ZINC000095072800 384345874 /nfs/dbraw/zinc/34/58/74/384345874.db2.gz OVIOOQNWGRMSHE-JTQLQIEISA-N 1 0 234.303 0.249 10 0 BCAERO O=C(CNC1CC[NH2+]CC1)c1ccc[nH]1 ZINC000095072761 384346523 /nfs/dbraw/zinc/34/65/23/384346523.db2.gz PZTNKVJAVHZPHY-UHFFFAOYSA-N 1 0 207.277 0.539 10 0 BCAERO C[C@@H]1C[C@@H](O)C[N@H+](CCn2cccn2)C1 ZINC000335585660 384347192 /nfs/dbraw/zinc/34/71/92/384347192.db2.gz COOXTEXYAJJNTK-GHMZBOCLSA-N 1 0 209.293 0.586 10 0 BCAERO O=S(=O)(Cc1cncs1)C[C@H]1CCC[NH2+]1 ZINC000095073196 384347231 /nfs/dbraw/zinc/34/72/31/384347231.db2.gz WZZHYDAAJOWKHX-MRVPVSSYSA-N 1 0 246.357 0.810 10 0 BCAERO O=S(=O)(C[C@H]1CC[NH2+]C1)c1ccccn1 ZINC000095073232 384347609 /nfs/dbraw/zinc/34/76/09/384347609.db2.gz TVLREICDUDRVGV-VIFPVBQESA-N 1 0 226.301 0.465 10 0 BCAERO O=S(=O)(C[C@@H]1CCC[NH2+]1)c1ncccn1 ZINC000095073179 384347663 /nfs/dbraw/zinc/34/76/63/384347663.db2.gz MNZINBCIWRYRBE-QMMMGPOBSA-N 1 0 227.289 0.002 10 0 BCAERO O=S(=O)(Cc1cccnc1)C[C@H]1CCC[NH2+]1 ZINC000095073192 384347950 /nfs/dbraw/zinc/34/79/50/384347950.db2.gz YTDGCKRTSPQZRU-LLVKDONJSA-N 1 0 240.328 0.748 10 0 BCAERO C[C@H]1[NH2+]CCC[C@@H]1C(=O)N(C)Cc1cc[nH]n1 ZINC000335588963 384348261 /nfs/dbraw/zinc/34/82/61/384348261.db2.gz ALWSJHYCGJWQIY-KOLCDFICSA-N 1 0 236.319 0.756 10 0 BCAERO Cc1nccn1CC[N@H+]1C[C@H](O)C[C@H](C)C1 ZINC000335589002 384348816 /nfs/dbraw/zinc/34/88/16/384348816.db2.gz KFADBFZWVGCJNT-CMPLNLGQSA-N 1 0 223.320 0.894 10 0 BCAERO CN(C)S(=O)(=O)Cc1nccn1C1CC1 ZINC000095074343 384349743 /nfs/dbraw/zinc/34/97/43/384349743.db2.gz BUYFBKPLEXDLDM-UHFFFAOYSA-N 1 0 229.305 0.609 10 0 BCAERO O=[S@](Cc1ccncc1)C[C@@H]1CC[NH2+]C1 ZINC000095073696 384350363 /nfs/dbraw/zinc/35/03/63/384350363.db2.gz WHAMVBYWPCAHBH-ABAIWWIYSA-N 1 0 224.329 0.940 10 0 BCAERO C[NH2+][C@@H](CCO)[C@H]1COc2ccccc2O1 ZINC000095075742 384351328 /nfs/dbraw/zinc/35/13/28/384351328.db2.gz FCFPCDUIJMKLFZ-JOYOIKCWSA-N 1 0 223.272 0.797 10 0 BCAERO N[C@H](C(=O)OCc1ccccc1)[C@H]1CCC[NH2+]1 ZINC000095079053 384356301 /nfs/dbraw/zinc/35/63/01/384356301.db2.gz JVSDVQDOVLBDSZ-NEPJUHHUSA-N 1 0 234.299 0.809 10 0 BCAERO c1cnc(COC[C@H]2CCC[NH2+]C2)cn1 ZINC000095092704 384363215 /nfs/dbraw/zinc/36/32/15/384363215.db2.gz ICNYLLVHQXMFIZ-JTQLQIEISA-N 1 0 207.277 0.993 10 0 BCAERO c1cnc2[nH]c(OC[C@@H]3CC[NH2+]C3)nc2c1 ZINC000095092680 384363927 /nfs/dbraw/zinc/36/39/27/384363927.db2.gz YVLHTJCUESRQJS-MRVPVSSYSA-N 1 0 218.260 0.946 10 0 BCAERO Cn1nccc1[C@@H]1[C@@H]([NH3+])CCC(=O)N1C1CC1 ZINC000159921985 384372445 /nfs/dbraw/zinc/37/24/45/384372445.db2.gz XZNZJLISMARZCN-CABZTGNLSA-N 1 0 234.303 0.573 10 0 BCAERO Cc1ccnc([S@](=O)C[C@H]2CC[NH2+]C2)n1 ZINC000095069295 384332638 /nfs/dbraw/zinc/33/26/38/384332638.db2.gz MFWCXQNJDGFQHA-VFZGTOFNSA-N 1 0 225.317 0.502 10 0 BCAERO Cc1cc(C)nc([S@](=O)C[C@H]2CC[NH2+]C2)n1 ZINC000095068895 384333070 /nfs/dbraw/zinc/33/30/70/384333070.db2.gz WHRDKKZIUHUKCV-QFYYESIMSA-N 1 0 239.344 0.811 10 0 BCAERO O=[S@@](C[C@@H]1CC[NH2+]C1)c1ccc(Cl)nn1 ZINC000095069964 384334098 /nfs/dbraw/zinc/33/40/98/384334098.db2.gz JLABBNKKVXBWSC-KWKYVRJSSA-N 1 0 245.735 0.847 10 0 BCAERO Cc1cc(CN2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)nn1C ZINC000647512572 384407286 /nfs/dbraw/zinc/40/72/86/384407286.db2.gz CALWRMXKAANQGB-UHTWSYAYSA-N 1 0 234.347 0.898 10 0 BCAERO CC[C@H]([NH3+])C[C@H](N)C(=O)OC(C)(C)C ZINC000095930134 384409858 /nfs/dbraw/zinc/40/98/58/384409858.db2.gz BRSLWKWNVWIWSD-YUMQZZPRSA-N 1 0 202.298 0.783 10 0 BCAERO CC(C)(C)OC(=O)[C@@]1(CO)CCC[C@H]1[NH3+] ZINC000095934693 384413107 /nfs/dbraw/zinc/41/31/07/384413107.db2.gz XDJLQDPMPAXPCD-LDYMZIIASA-N 1 0 215.293 0.818 10 0 BCAERO CC(CO)(CO)[NH2+]Cc1ccsc1 ZINC000096033857 384427011 /nfs/dbraw/zinc/42/70/11/384427011.db2.gz XOEDPEWFYZHAAB-UHFFFAOYSA-N 1 0 201.291 0.581 10 0 BCAERO C[C@H]1OCC[C@@H]1[NH2+]C[C@@H]1CN(C)CCO1 ZINC000096034110 384427345 /nfs/dbraw/zinc/42/73/45/384427345.db2.gz AIQIJWFGFYLBPQ-MXWKQRLJSA-N 1 0 214.309 0.084 10 0 BCAERO COC[C@]1(C(=O)NC[C@H](C)C2CC2)CCC[NH2+]1 ZINC000643657923 384375823 /nfs/dbraw/zinc/37/58/23/384375823.db2.gz IZKFBKXOTKNLHW-GWCFXTLKSA-N 1 0 240.347 0.917 10 0 BCAERO Cc1n[nH]cc1C[NH2+]C[C@H]1CCC[C@@H]1O ZINC000084225356 384379744 /nfs/dbraw/zinc/37/97/44/384379744.db2.gz KAZKBZMIJHWTQV-KOLCDFICSA-N 1 0 209.293 0.969 10 0 BCAERO COC(=O)c1ccc2c(c1)C[C@@H]([NH3+])CO2 ZINC000016083032 384451184 /nfs/dbraw/zinc/45/11/84/384451184.db2.gz ZQSBENLBVARHAX-SECBINFHSA-N 1 0 207.229 0.735 10 0 BCAERO Cc1ccc(C[NH2+]C(C)(CO)CO)s1 ZINC000096034361 384427713 /nfs/dbraw/zinc/42/77/13/384427713.db2.gz RGOYYUMXSZWUNA-UHFFFAOYSA-N 1 0 215.318 0.889 10 0 BCAERO C[C@H]1CN(C(=O)c2n[nH]c3c2CCCC3)C[C@H]1[NH3+] ZINC000643600326 384432264 /nfs/dbraw/zinc/43/22/64/384432264.db2.gz HTJAMVCOBIDZGI-WCBMZHEXSA-N 1 0 248.330 0.708 10 0 BCAERO C[C@H]1CCCN(C(=O)[C@H]2C[NH2+]CCOC2)CC1 ZINC000643665720 384438606 /nfs/dbraw/zinc/43/86/06/384438606.db2.gz VWLPUXSDHICZJN-RYUDHWBXSA-N 1 0 240.347 0.871 10 0 BCAERO CCC[C@@H](CC)NC(=O)[C@H]1C[NH2+]CCOC1 ZINC000643666369 384443667 /nfs/dbraw/zinc/44/36/67/384443667.db2.gz AQVJSHBCBDGETN-WDEREUQCSA-N 1 0 228.336 0.917 10 0 BCAERO CO[C@H]1CCCN(C(=O)C2([NH3+])CCOCC2)C1 ZINC000229215458 384462191 /nfs/dbraw/zinc/46/21/91/384462191.db2.gz JBCZIJAKLSWWHL-JTQLQIEISA-N 1 0 242.319 0.132 10 0 BCAERO Cc1ocnc1CNC(=O)[C@H]1CCC[NH2+][C@H]1C ZINC000335663208 384471824 /nfs/dbraw/zinc/47/18/24/384471824.db2.gz VKSCUTZFBCBGFQ-WPRPVWTQSA-N 1 0 237.303 0.987 10 0 BCAERO CO[C@@H](CNC(=O)[C@H]1C[NH2+]CCOC1)C(C)C ZINC000643726158 384476792 /nfs/dbraw/zinc/47/67/92/384476792.db2.gz KFQUNNIUSVZTMV-QWRGUYRKSA-N 1 0 244.335 0.010 10 0 BCAERO C[NH2+][C@H]1CCC2(C[C@H]1OC)OCCO2 ZINC000044044245 384481721 /nfs/dbraw/zinc/48/17/21/384481721.db2.gz JTFFIPIHIVYHSR-DTWKUNHWSA-N 1 0 201.266 0.516 10 0 BCAERO C[NH2+][C@@H]1CCC2(C[C@@H]1OC)OCCO2 ZINC000044044234 384483627 /nfs/dbraw/zinc/48/36/27/384483627.db2.gz JTFFIPIHIVYHSR-BDAKNGLRSA-N 1 0 201.266 0.516 10 0 BCAERO C[C@@H](C[NH2+]Cc1cccn1C)N1CCOCC1 ZINC000161584094 384505724 /nfs/dbraw/zinc/50/57/24/384505724.db2.gz ODKZJUHMVOMWTJ-LBPRGKRZSA-N 1 0 237.347 0.835 10 0 BCAERO Cn1cncc1[C@@H]1[C@@H](C[NH3+])CCCN1C ZINC000085168897 384508429 /nfs/dbraw/zinc/50/84/29/384508429.db2.gz BNYHESMNDBMAIR-KOLCDFICSA-N 1 0 208.309 0.762 10 0 BCAERO Cn1cncc1C[NH2+]C[C@H]1CCC[C@H]1O ZINC000085169725 384509458 /nfs/dbraw/zinc/50/94/58/384509458.db2.gz SFDSFLSICFGVQL-MWLCHTKSSA-N 1 0 209.293 0.671 10 0 BCAERO COC[C@]1(C(=O)N[C@@H]2CC23CC3)CCC[NH2+]1 ZINC000643839239 384510728 /nfs/dbraw/zinc/51/07/28/384510728.db2.gz GHUPFFXDZXWNRC-SKDRFNHKSA-N 1 0 224.304 0.424 10 0 BCAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)N1CCc2n[nH]cc2C1 ZINC000335706614 384487251 /nfs/dbraw/zinc/48/72/51/384487251.db2.gz VQTWUXXFJVXJLL-LDYMZIIASA-N 1 0 236.319 0.668 10 0 BCAERO O=C(NC1CCSCC1)[C@@H]1C[NH2+]CCOC1 ZINC000643672777 384512363 /nfs/dbraw/zinc/51/23/63/384512363.db2.gz YKYHITYAKKJXJO-SECBINFHSA-N 1 0 244.360 0.234 10 0 BCAERO CNS(=O)(=O)c1ccc(C[C@@H](C)[NH3+])cc1 ZINC000011731527 384536932 /nfs/dbraw/zinc/53/69/32/384536932.db2.gz RLNKKCKEJSXLTJ-MRVPVSSYSA-N 1 0 228.317 0.484 10 0 BCAERO CO[C@H]1C[NH2+][C@H](COc2cccnc2)C1 ZINC000079972834 384522492 /nfs/dbraw/zinc/52/24/92/384522492.db2.gz NDAXSNWXBNRDOC-GXSJLCMTSA-N 1 0 208.261 0.837 10 0 BCAERO OC[C@@H]1C[NH+](Cc2cccs2)C[C@H]1CO ZINC000528607521 384560446 /nfs/dbraw/zinc/56/04/46/384560446.db2.gz XGUYPBLHAPWUOU-UWVGGRQHSA-N 1 0 227.329 0.781 10 0 BCAERO OCC[C@@H]1CC[N@H+](CCOC[C@@H]2CCCO2)C1 ZINC000525638548 384561610 /nfs/dbraw/zinc/56/16/10/384561610.db2.gz QNWXGAOYEZGNTG-STQMWFEESA-N 1 0 243.347 0.886 10 0 BCAERO C[NH+](C)[C@H]1CCN(C[C@](C)(O)C(F)(F)F)C1 ZINC000309748302 384576452 /nfs/dbraw/zinc/57/64/52/384576452.db2.gz JUKXQPXYACZDBN-IUCAKERBSA-N 1 0 240.269 0.936 10 0 BCAERO [NH3+]C[C@@H]1CO[C@@H]([C@@H]2CCCSC2)O1 ZINC000258413543 384582291 /nfs/dbraw/zinc/58/22/91/384582291.db2.gz DGSTXVRARFVKFY-IWSPIJDZSA-N 1 0 203.307 0.830 10 0 BCAERO [NH3+]C[C@@H]1CO[C@H]([C@H]2CCCSC2)O1 ZINC000258413546 384584682 /nfs/dbraw/zinc/58/46/82/384584682.db2.gz DGSTXVRARFVKFY-YIZRAAEISA-N 1 0 203.307 0.830 10 0 BCAERO O=C(N[C@@H]1CC[C@@H]2C[C@@H]2C1)[C@H]1CC[NH2+]C1 ZINC000403297020 384621957 /nfs/dbraw/zinc/62/19/57/384621957.db2.gz QKZKPJBMUWYSEZ-LMLFDSFASA-N 1 0 208.305 0.901 10 0 BCAERO NC(=O)[C@H](C[NH3+])Cc1c(F)cccc1F ZINC000020579849 384624718 /nfs/dbraw/zinc/62/47/18/384624718.db2.gz SCACCQQBVYNPQM-LURJTMIESA-N 1 0 214.215 0.568 10 0 BCAERO COC[C@H](C)C(=O)NC1CC[NH+](C)CC1 ZINC000103519652 384630077 /nfs/dbraw/zinc/63/00/77/384630077.db2.gz OEKKVWMFEXOXGK-VIFPVBQESA-N 1 0 214.309 0.479 10 0 BCAERO COc1cccnc1N1CC[NH2+][C@@H](C)C1 ZINC000149035226 384631184 /nfs/dbraw/zinc/63/11/84/384631184.db2.gz PGNKHDKHMIXCQM-VIFPVBQESA-N 1 0 207.277 0.888 10 0 BCAERO COC(=O)CN1CCC[C@@H]1c1cnn(C)c1 ZINC000171504809 384594562 /nfs/dbraw/zinc/59/45/62/384594562.db2.gz IQGJHGKFHIRTLU-SNVBAGLBSA-N 1 0 223.276 0.730 10 0 BCAERO CN(CC(=O)c1ccc[nH]1)C1CC[NH2+]CC1 ZINC000050158775 384600770 /nfs/dbraw/zinc/60/07/70/384600770.db2.gz YDCIVIBFKGHRBT-UHFFFAOYSA-N 1 0 221.304 0.881 10 0 BCAERO [NH3+][C@@H]1CN(C(=O)OCc2ccccc2)C[C@H]1O ZINC000101225902 384670589 /nfs/dbraw/zinc/67/05/89/384670589.db2.gz IXPLJRREJIUKLG-GHMZBOCLSA-N 1 0 236.271 0.327 10 0 BCAERO Cc1cc(CN2C[C@H](C)[C@H]([NH3+])C2)nn1C ZINC000647538837 384672478 /nfs/dbraw/zinc/67/24/78/384672478.db2.gz KFZLXFUZQKSPSK-GZMMTYOYSA-N 1 0 208.309 0.508 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N(C)CC(C)(C)OC ZINC000404312437 384634772 /nfs/dbraw/zinc/63/47/72/384634772.db2.gz WFUOQYAQNOHBPN-VIFPVBQESA-N 1 0 216.325 0.997 10 0 BCAERO COC(=O)C[C@@H]1C[C@H]2[C@H](CCC[C@H]2[NH3+])O1 ZINC000082162632 384646578 /nfs/dbraw/zinc/64/65/78/384646578.db2.gz KKGAEERCEJJJSE-JLIMGVALSA-N 1 0 213.277 0.834 10 0 BCAERO COC[C@H](C)C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000104184485 384655116 /nfs/dbraw/zinc/65/51/16/384655116.db2.gz WBRZTXHVTXYWDU-VHSXEESVSA-N 1 0 214.309 0.337 10 0 BCAERO O=C1CCCN1CC[N@H+]1CCC[C@@H]1CCCO ZINC000104956639 384726164 /nfs/dbraw/zinc/72/61/64/384726164.db2.gz ZTUHCBXKTLJPJW-GFCCVEGCSA-N 1 0 240.347 0.846 10 0 BCAERO Cc1n[nH]cc1C[NH2+]C[C@H]1CN(C)CCO1 ZINC000082432917 384682754 /nfs/dbraw/zinc/68/27/54/384682754.db2.gz TVJRADJAJXSNKG-NSHDSACASA-N 1 0 224.308 0.138 10 0 BCAERO Nc1cc(Cl)cc(C(=O)N2CC[NH2+]CC2)c1 ZINC000082654377 384702049 /nfs/dbraw/zinc/70/20/49/384702049.db2.gz ZXXRPJZQOLHZNS-UHFFFAOYSA-N 1 0 239.706 0.968 10 0 BCAERO COC[C@@]1(C(=O)N(C)[C@H]2CCOC2)CCC[NH2+]1 ZINC000643680187 384710462 /nfs/dbraw/zinc/71/04/62/384710462.db2.gz GRIXJDGXXFQTPU-CMPLNLGQSA-N 1 0 242.319 0.002 10 0 BCAERO CCc1nnc(CN(C)[C@@H](C[NH3+])C2CC2)n1C ZINC000518770874 384711623 /nfs/dbraw/zinc/71/16/23/384711623.db2.gz BCEZPEQAVNCQQD-JTQLQIEISA-N 1 0 237.351 0.547 10 0 BCAERO [NH3+]C[C@H]1CCCN(S(=O)(=O)C(F)F)C1 ZINC000044528843 384777666 /nfs/dbraw/zinc/77/76/66/384777666.db2.gz ASBWDRDZSWYLDH-ZCFIWIBFSA-N 1 0 228.264 0.210 10 0 BCAERO [NH3+][C@@H](CCO)c1cccc2c1OCCO2 ZINC000082948040 384730805 /nfs/dbraw/zinc/73/08/05/384730805.db2.gz MHEWQWRCTFHRGE-VIFPVBQESA-N 1 0 209.245 0.840 10 0 BCAERO C[NH2+]C1(CNC(=O)[C@@]2(OC)CCOC2)CCC1 ZINC000402370767 384731691 /nfs/dbraw/zinc/73/16/91/384731691.db2.gz GVPJWIMCFFXIMF-GFCCVEGCSA-N 1 0 242.319 0.050 10 0 BCAERO CS(=O)(=O)c1ccc([C@@H](N)C[NH3+])cc1 ZINC000044470103 384733967 /nfs/dbraw/zinc/73/39/67/384733967.db2.gz YWVWBMPSAZMKBB-VIFPVBQESA-N 1 0 214.290 0.049 10 0 BCAERO CCOCCNC(=O)C[C@H]1CCC[NH2+]C1 ZINC000054290942 384734593 /nfs/dbraw/zinc/73/45/93/384734593.db2.gz CGVPABMTFXIPMJ-SNVBAGLBSA-N 1 0 214.309 0.529 10 0 BCAERO COCCCCNC(=O)C[C@H]1CCC[NH2+]C1 ZINC000054292224 384734885 /nfs/dbraw/zinc/73/48/85/384734885.db2.gz HBBADAVVKGBSJT-LLVKDONJSA-N 1 0 228.336 0.919 10 0 BCAERO C[C@H]1C[C@@H](O)C[N@H+](CC(=O)N2CCCC2)C1 ZINC000334825988 384742746 /nfs/dbraw/zinc/74/27/46/384742746.db2.gz IBBDBUIUJRMZLK-WDEREUQCSA-N 1 0 226.320 0.312 10 0 BCAERO CSC1(C[NH2+]CCn2cncn2)CC1 ZINC000308489802 384748291 /nfs/dbraw/zinc/74/82/91/384748291.db2.gz PVRPCWOUBLQZGD-UHFFFAOYSA-N 1 0 212.322 0.763 10 0 BCAERO COCC[N@H+](C)CCNC(=O)[C@H]1CC[C@H](C)O1 ZINC000151752500 384748788 /nfs/dbraw/zinc/74/87/88/384748788.db2.gz BHVYSEGIPNPYTL-WDEREUQCSA-N 1 0 244.335 0.248 10 0 BCAERO COCC[N@H+](C)CCNC(=O)[C@@H]1CC[C@H](C)O1 ZINC000151752648 384749560 /nfs/dbraw/zinc/74/95/60/384749560.db2.gz BHVYSEGIPNPYTL-QWRGUYRKSA-N 1 0 244.335 0.248 10 0 BCAERO CCSCC[NH2+]C[C@@H]1CN(C)CCO1 ZINC000126256372 384749582 /nfs/dbraw/zinc/74/95/82/384749582.db2.gz HHKPOSFJFIZLLZ-SNVBAGLBSA-N 1 0 218.366 0.660 10 0 BCAERO COC(=O)[C@H](C)N1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000601325664 384752304 /nfs/dbraw/zinc/75/23/04/384752304.db2.gz FDNMYSUQXVVNIC-VGMNWLOBSA-N 1 0 200.282 0.075 10 0 BCAERO [NH3+][C@H](CO)c1cccc(Br)n1 ZINC000083300742 384757266 /nfs/dbraw/zinc/75/72/66/384757266.db2.gz OMGUWDWNWSFKMB-RXMQYKEDSA-N 1 0 217.066 0.836 10 0 BCAERO Cc1cnn(CC[NH2+][C@@H]2CN(C)C[C@H]2C)c1 ZINC000309798187 384837378 /nfs/dbraw/zinc/83/73/78/384837378.db2.gz QQDPWWQFPLJFKF-VXGBXAGGSA-N 1 0 222.336 0.731 10 0 BCAERO C[NH+](C)[C@H]1CCN(C(=O)[C@@H]([NH3+])C2CCC2)C1 ZINC000335050913 384783042 /nfs/dbraw/zinc/78/30/42/384783042.db2.gz LDNLIPROXPNRAD-QWRGUYRKSA-N 1 0 225.336 0.276 10 0 BCAERO C[C@@H]([NH2+]C(CO)CO)c1cccc(F)c1 ZINC000083691587 384794511 /nfs/dbraw/zinc/79/45/11/384794511.db2.gz OJFAWFDNBGCKNW-MRVPVSSYSA-N 1 0 213.252 0.830 10 0 BCAERO COC(=O)c1cnn(C2CC[NH2+]CC2)c1 ZINC000201699149 384796700 /nfs/dbraw/zinc/79/67/00/384796700.db2.gz ICPCJOWSTVIMQH-UHFFFAOYSA-N 1 0 209.249 0.594 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N[C@@H](C)CO[C@@H]1CCOC1 ZINC000236900442 384807440 /nfs/dbraw/zinc/80/74/40/384807440.db2.gz JPTLZPAKKGFOBW-AXFHLTTASA-N 1 0 244.335 0.424 10 0 BCAERO COC[C@@H](C)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000105780398 384808903 /nfs/dbraw/zinc/80/89/03/384808903.db2.gz QYCQCCNTTXPIPE-MNOVXSKESA-N 1 0 228.336 0.822 10 0 BCAERO COc1cc(F)c([C@@H]([NH3+])CO)cc1OC ZINC000072198253 384810019 /nfs/dbraw/zinc/81/00/19/384810019.db2.gz BIRWTULNOJQBAM-QMMMGPOBSA-N 1 0 215.224 0.835 10 0 BCAERO C[C@@H]1C[C@@H]1Nc1nc2c(cnn2C)c(N)n1 ZINC000278395155 384881648 /nfs/dbraw/zinc/88/16/48/384881648.db2.gz MLKBXIHCDBOVIY-VDTYLAMSSA-N 1 0 218.264 0.766 10 0 BCAERO CO[C@@H]1C[C@H](CO)[N@H+](Cc2cccc(O)c2)C1 ZINC000310185649 384885106 /nfs/dbraw/zinc/88/51/06/384885106.db2.gz XLVLTMKVDPVDOC-DGCLKSJQSA-N 1 0 237.299 0.974 10 0 BCAERO COC[C@]1(C(=O)N[C@H]2CO[C@H](C)C2)CCC[NH2+]1 ZINC000648204594 384838564 /nfs/dbraw/zinc/83/85/64/384838564.db2.gz BOFBKLYBBLHVMF-FOGDFJRCSA-N 1 0 242.319 0.049 10 0 BCAERO C[C@@H](NC(=O)[C@@H]1C[NH2+]CCOC1)C1CCCC1 ZINC000643689628 384839661 /nfs/dbraw/zinc/83/96/61/384839661.db2.gz MHEHUNOEHSAOEZ-ZYHUDNBSSA-N 1 0 240.347 0.917 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N[C@H]1CCN(C(=O)CC)C1 ZINC000236927341 384841779 /nfs/dbraw/zinc/84/17/79/384841779.db2.gz VSYIYNZLTAGETI-UWVGGRQHSA-N 1 0 241.335 0.241 10 0 BCAERO CCN(C)C(=O)N(C)C[C@H]1CC[N@H+](C)C1 ZINC000127354463 384854908 /nfs/dbraw/zinc/85/49/08/384854908.db2.gz PXASULJRQHGPCV-JTQLQIEISA-N 1 0 213.325 0.942 10 0 BCAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)CC[C@H]1CCOC1 ZINC000401552529 384860963 /nfs/dbraw/zinc/86/09/63/384860963.db2.gz JCCDICWIPLFNIE-VWYCJHECSA-N 1 0 226.320 0.751 10 0 BCAERO Cc1c(CN2CC[NH2+][C@H](C)[C@H]2C)cnn1C ZINC000336054591 384862826 /nfs/dbraw/zinc/86/28/26/384862826.db2.gz JBNGEGBSIZKSGR-NXEZZACHSA-N 1 0 222.336 0.911 10 0 BCAERO CC(C)C(=O)N[C@H]1CCCN(C(=O)[C@@H](C)[NH3+])C1 ZINC000156782821 384956935 /nfs/dbraw/zinc/95/69/35/384956935.db2.gz IYDIJUIWOOTVDM-ZJUUUORDSA-N 1 0 241.335 0.097 10 0 BCAERO C[NH+](C)C[C@@H]1CN(CCn2cccn2)CCO1 ZINC000105924447 384893179 /nfs/dbraw/zinc/89/31/79/384893179.db2.gz CYSDDUVQBZXDAS-GFCCVEGCSA-N 1 0 238.335 0.146 10 0 BCAERO C[NH+](C)C[C@@H]1CN(Cc2cccnc2)CCO1 ZINC000105924368 384893258 /nfs/dbraw/zinc/89/32/58/384893258.db2.gz LKKHEULZJJBZSV-CYBMUJFWSA-N 1 0 235.331 0.844 10 0 BCAERO CC1CC(C(=O)NCC2(O)CC[NH+](C)CC2)C1 ZINC000084774306 384896987 /nfs/dbraw/zinc/89/69/87/384896987.db2.gz YKMKQLGHGFZXTQ-UHFFFAOYSA-N 1 0 240.347 0.605 10 0 BCAERO C[N@H+](C[C@@H]1CNC(=O)O1)C[C@@H]1CCC[C@@H]1O ZINC000497256769 384915650 /nfs/dbraw/zinc/91/56/50/384915650.db2.gz IPZBAOBQCBIISW-GUBZILKMSA-N 1 0 228.292 0.188 10 0 BCAERO CC[C@H]([NH3+])[C@@H](N)C(=O)OCc1ccccc1 ZINC000149007203 384915904 /nfs/dbraw/zinc/91/59/04/384915904.db2.gz QJJOBYUZKUUIBS-WDEREUQCSA-N 1 0 222.288 0.794 10 0 BCAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]CC(C)(C)O ZINC000306426627 384943138 /nfs/dbraw/zinc/94/31/38/384943138.db2.gz KNVVFNYKWKWCCJ-JGVFFNPUSA-N 1 0 200.282 0.014 10 0 BCAERO Cc1ccc(C(=O)N2CCC[C@H]2C[NH3+])c(=O)[nH]1 ZINC000156740710 384946712 /nfs/dbraw/zinc/94/67/12/384946712.db2.gz BYXWYQYXMVNHKM-VIFPVBQESA-N 1 0 235.287 0.247 10 0 BCAERO CC[N@H+](CCO)CCNc1ncccn1 ZINC000302214215 384970808 /nfs/dbraw/zinc/97/08/08/384970808.db2.gz GLGYEFCMYPTDNX-UHFFFAOYSA-N 1 0 210.281 0.203 10 0 BCAERO CC[N@H+](CCO)CCNc1cc(C)ncn1 ZINC000302232308 384985785 /nfs/dbraw/zinc/98/57/85/384985785.db2.gz YJFIUSACUQIQFM-UHFFFAOYSA-N 1 0 224.308 0.511 10 0 BCAERO Cc1nocc1C[NH2+][C@@H]1CCC(=O)N[C@@H]1C ZINC000339388992 384992542 /nfs/dbraw/zinc/99/25/42/384992542.db2.gz CISLXRJHIVCVCC-PSASIEDQSA-N 1 0 223.276 0.740 10 0 BCAERO C[C@@H](NC(=O)[C@H]1CC[NH2+]C1)C1CCOCC1 ZINC000226372154 385001503 /nfs/dbraw/zinc/00/15/03/385001503.db2.gz MXPCRMYNSOHJDQ-KOLCDFICSA-N 1 0 226.320 0.527 10 0 BCAERO CC(C)C1([NH2+]CCN2C(=O)CNC2=O)CC1 ZINC000339510202 385009623 /nfs/dbraw/zinc/00/96/23/385009623.db2.gz GJYWRHWMHYBEEU-UHFFFAOYSA-N 1 0 225.292 0.316 10 0 BCAERO CC(C)C1([NH2+]CC(=O)N2CCOCC2)CC1 ZINC000339515684 385011934 /nfs/dbraw/zinc/01/19/34/385011934.db2.gz RYOIAKKGDHLOOG-UHFFFAOYSA-N 1 0 226.320 0.623 10 0 BCAERO C[C@@H]1CC[C@H](CN2CC[C@H]3OCC[NH2+][C@@H]3C2)O1 ZINC000404215959 384962420 /nfs/dbraw/zinc/96/24/20/384962420.db2.gz YJDPXCYKLKDJAO-FDYHWXHSSA-N 1 0 240.347 0.617 10 0 BCAERO CNC(=[NH2+])N[C@H](C)C(=O)NC(C)(C)C ZINC000157027374 385049348 /nfs/dbraw/zinc/04/93/48/385049348.db2.gz QLYCYSLMFQYUIM-ZCFIWIBFSA-N 1 0 200.286 0.033 10 0 BCAERO C[C@H](CCCO)[NH+]1CCC(C(N)=O)CC1 ZINC000058826920 385029327 /nfs/dbraw/zinc/02/93/27/385029327.db2.gz KYLXSKYYNQEMKC-SECBINFHSA-N 1 0 214.309 0.345 10 0 BCAERO C[C@H]([NH2+]C1CC1)C(=O)N1CCn2ccnc2C1 ZINC000336231692 385030802 /nfs/dbraw/zinc/03/08/02/385030802.db2.gz MPGCXZGOWPVFHO-VIFPVBQESA-N 1 0 234.303 0.366 10 0 BCAERO C[C@@H]([NH2+]C1CC1)C(=O)N1CCn2ccnc2C1 ZINC000336231691 385031129 /nfs/dbraw/zinc/03/11/29/385031129.db2.gz MPGCXZGOWPVFHO-SECBINFHSA-N 1 0 234.303 0.366 10 0 BCAERO CN(C(=O)[C@H]1C[NH2+]CCOC1)[C@@H]1CCSC1 ZINC000643767672 385035935 /nfs/dbraw/zinc/03/59/35/385035935.db2.gz MJUJHWKFOWGCPI-VHSXEESVSA-N 1 0 244.360 0.186 10 0 BCAERO [NH3+]CCS(=O)(=O)c1cccc2nccn21 ZINC000059047403 385040837 /nfs/dbraw/zinc/04/08/37/385040837.db2.gz ADSOUFCOLUNVIM-UHFFFAOYSA-N 1 0 225.273 0.067 10 0 BCAERO [NH3+][C@@H]1CCC[C@H](C(=O)NCCc2ncc[nH]2)C1 ZINC000157257932 385117748 /nfs/dbraw/zinc/11/77/48/385117748.db2.gz IPJMPPZDAIRLNT-VHSXEESVSA-N 1 0 236.319 0.586 10 0 BCAERO C[NH+](C)C[C@H]1CN(c2ncccn2)CCO1 ZINC000108951792 385119569 /nfs/dbraw/zinc/11/95/69/385119569.db2.gz JVTOSWQLHBYQLR-JTQLQIEISA-N 1 0 222.292 0.243 10 0 BCAERO COc1ccnc(N2CC[C@@H]([NH3+])[C@@H](C)C2)n1 ZINC000227077703 385086905 /nfs/dbraw/zinc/08/69/05/385086905.db2.gz LWHIRCSLRVPTGE-DTWKUNHWSA-N 1 0 222.292 0.659 10 0 BCAERO c1cn2c(n1)CC[C@H]([NH2+]Cc1cc[nH]n1)C2 ZINC000377523892 385096005 /nfs/dbraw/zinc/09/60/05/385096005.db2.gz MLBUUXYZLZJNSY-JTQLQIEISA-N 1 0 217.276 0.711 10 0 BCAERO CC[C@H]1CN(CCO)CC[N@@H+]1CCOC ZINC000177710216 385098599 /nfs/dbraw/zinc/09/85/99/385098599.db2.gz XGZDIFILVGSLBI-NSHDSACASA-N 1 0 216.325 0.021 10 0 BCAERO CC[C@H](NC(=O)[C@H]1CC[C@@H]([NH3+])C1)C(=O)OC ZINC000246524443 385182877 /nfs/dbraw/zinc/18/28/77/385182877.db2.gz RNJNJGVRKDJORO-YIZRAAEISA-N 1 0 228.292 0.182 10 0 BCAERO C[NH+](C)[C@H]1CCN(C(=O)c2ccc(=O)[nH]c2)C1 ZINC000062983770 385199824 /nfs/dbraw/zinc/19/98/24/385199824.db2.gz GFYWZQLFNVJKFJ-JTQLQIEISA-N 1 0 235.287 0.151 10 0 BCAERO C[C@H](CC(N)=O)[NH2+][C@@H]1CCCC[C@@H]1CO ZINC000304746801 385150809 /nfs/dbraw/zinc/15/08/09/385150809.db2.gz VLKAGFPENIWOMR-OPRDCNLKSA-N 1 0 214.309 0.391 10 0 BCAERO C[C@H](CC(N)=O)[NH2+][C@@H]1CCCC[C@H]1CO ZINC000304746798 385152054 /nfs/dbraw/zinc/15/20/54/385152054.db2.gz VLKAGFPENIWOMR-KXUCPTDWSA-N 1 0 214.309 0.391 10 0 BCAERO Cc1nocc1C(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000402701811 385158421 /nfs/dbraw/zinc/15/84/21/385158421.db2.gz BNHTXQGUABNJEZ-WCBMZHEXSA-N 1 0 223.276 0.840 10 0 BCAERO CC[C@H](CCO)CNC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000227580137 385161307 /nfs/dbraw/zinc/16/13/07/385161307.db2.gz XJALUZKFUFBIES-GMTAPVOTSA-N 1 0 228.336 0.639 10 0 BCAERO C[NH2+][C@H](C)CNC(=O)c1n[nH]c2c1CCCC2 ZINC000647033226 385169073 /nfs/dbraw/zinc/16/90/73/385169073.db2.gz RRUFQZFTRNSMJW-MRVPVSSYSA-N 1 0 236.319 0.626 10 0 BCAERO CC[C@H](C)CC(=O)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000647039846 385175399 /nfs/dbraw/zinc/17/53/99/385175399.db2.gz BCXWQHZEQPYXQI-GUBZILKMSA-N 1 0 214.309 0.119 10 0 BCAERO C[C@@H](C(=O)NC[C@@H]1C[NH2+]C[C@@H]1O)c1ccccc1 ZINC000647040167 385175976 /nfs/dbraw/zinc/17/59/76/385175976.db2.gz NNQNPPJDXVNDCS-WXHSDQCUSA-N 1 0 248.326 0.487 10 0 BCAERO O=C(NC1C[NH2+]C1)c1occc1Br ZINC000236591839 385177923 /nfs/dbraw/zinc/17/79/23/385177923.db2.gz HYXQUAVIWPRKIU-UHFFFAOYSA-N 1 0 245.076 0.744 10 0 BCAERO CC[N@@H+]1CCC[C@H]1CN(C)[C@@H]1CCNC1=O ZINC000178312949 385226759 /nfs/dbraw/zinc/22/67/59/385226759.db2.gz KVRZGYDMFMJWRO-WDEREUQCSA-N 1 0 225.336 0.291 10 0 BCAERO C[C@@H]([NH2+]CCN1CCOCC1)[C@H]1CCCO1 ZINC000035735742 385229608 /nfs/dbraw/zinc/22/96/08/385229608.db2.gz IGOJATDYHOIWJF-VXGBXAGGSA-N 1 0 228.336 0.476 10 0 BCAERO Cc1cnc(C)c(NC[C@H]2C[NH2+]CCO2)n1 ZINC000227786434 385235154 /nfs/dbraw/zinc/23/51/54/385235154.db2.gz XALXJJRSPXRRPT-SNVBAGLBSA-N 1 0 222.292 0.494 10 0 BCAERO COC(=O)[C@H](NC(=O)[C@@H]1CC[C@@H]([NH3+])C1)C(C)C ZINC000227812839 385250587 /nfs/dbraw/zinc/25/05/87/385250587.db2.gz ZVKNYUGNPQFUGI-OPRDCNLKSA-N 1 0 242.319 0.428 10 0 BCAERO Cc1ccc(NC(=O)[C@@H]2CC[NH2+]C2)cn1 ZINC000164842213 385313430 /nfs/dbraw/zinc/31/34/30/385313430.db2.gz NBXOGCAYASNPDI-SECBINFHSA-N 1 0 205.261 0.938 10 0 BCAERO CC(C)(C)[C@@H](O)CNC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000648153372 385298991 /nfs/dbraw/zinc/29/89/91/385298991.db2.gz AWNDIQBTPNAHPT-YIZRAAEISA-N 1 0 214.309 0.247 10 0 BCAERO Cc1cnn([C@@H]2CCC[N@@H+]([C@@H]3CCNC3=O)C2)c1 ZINC000178200468 385343443 /nfs/dbraw/zinc/34/34/43/385343443.db2.gz IFBRQONHVLKXAL-VXGBXAGGSA-N 1 0 248.330 0.717 10 0 BCAERO COC(=O)[C@H](C)C[N@@H+](C)C[C@H](C)C(=O)OC ZINC000016045326 385389238 /nfs/dbraw/zinc/38/92/38/385389238.db2.gz YQIBTWOSCNEFDZ-DTORHVGOSA-N 1 0 231.292 0.536 10 0 BCAERO CCC[C@H]([NH3+])C(=O)NC(C)(C)C(=O)OCC ZINC000158220779 385366618 /nfs/dbraw/zinc/36/66/18/385366618.db2.gz UXJSTMJPBULDDI-QMMMGPOBSA-N 1 0 230.308 0.572 10 0 BCAERO CCC[C@H](C)[N@@H+]1CCC[C@@](O)(C(N)=O)C1 ZINC000309034052 385380634 /nfs/dbraw/zinc/38/06/34/385380634.db2.gz DTLMILRERNAAOE-ONGXEEELSA-N 1 0 214.309 0.487 10 0 BCAERO CCCN(C)S(=O)(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000262757484 385385369 /nfs/dbraw/zinc/38/53/69/385385369.db2.gz PYDMPHMQTNKHRA-VHSXEESVSA-N 1 0 249.380 0.290 10 0 BCAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]CCCCCO ZINC000309119897 385424964 /nfs/dbraw/zinc/42/49/64/385424964.db2.gz NDUPJFHQJWRAOZ-UWVGGRQHSA-N 1 0 214.309 0.406 10 0 BCAERO COC(=O)[C@@H](C)N1CC[C@H]([NH+](C)C)C1 ZINC000062966277 385409537 /nfs/dbraw/zinc/40/95/37/385409537.db2.gz NMUQREACSJJYGC-BDAKNGLRSA-N 1 0 200.282 0.184 10 0 BCAERO Cc1nnc([C@H]2CC[NH2+]C[C@H]2NC(=O)C2CC2)[nH]1 ZINC000169676527 385416818 /nfs/dbraw/zinc/41/68/18/385416818.db2.gz DZRSJCXSJNDXTQ-VHSXEESVSA-N 1 0 249.318 0.085 10 0 BCAERO OC[C@H]1C[C@@H](O)CN1Cc1cccc(F)c1F ZINC000179183249 385447681 /nfs/dbraw/zinc/44/76/81/385447681.db2.gz JZBPWKKYDGYQEB-NXEZZACHSA-N 1 0 243.253 0.892 10 0 BCAERO Cc1ocnc1C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170855420 385450979 /nfs/dbraw/zinc/45/09/79/385450979.db2.gz ZIKNAWKBNQKHNO-VIFPVBQESA-N 1 0 223.276 0.759 10 0 BCAERO C[NH+](C)[C@@H]1CCN(C(=O)Cn2cccn2)C1 ZINC000170857423 385451937 /nfs/dbraw/zinc/45/19/37/385451937.db2.gz GKQKWQYKRZRDDB-SNVBAGLBSA-N 1 0 222.292 0.046 10 0 BCAERO CO[C@H](C)C[N@@H+]1CCN(C[C@@H](C)O)[C@@H](C)C1 ZINC000182136934 385429946 /nfs/dbraw/zinc/42/99/46/385429946.db2.gz XQMZUBXAGHYWRN-QJPTWQEYSA-N 1 0 230.352 0.408 10 0 BCAERO [NH3+]C[C@](O)(c1cccnc1)C(F)(F)F ZINC000062784207 385474652 /nfs/dbraw/zinc/47/46/52/385474652.db2.gz LLZNZAISONIADL-ZETCQYMHSA-N 1 0 206.167 0.790 10 0 BCAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)c1ccncc1F ZINC000309236323 385494004 /nfs/dbraw/zinc/49/40/04/385494004.db2.gz VGRNAMIBYIQKQV-XCBNKYQSSA-N 1 0 223.251 0.782 10 0 BCAERO COc1nccc(C[NH2+]C[C@@H](O)C(C)(C)C)n1 ZINC000295209546 385495790 /nfs/dbraw/zinc/49/57/90/385495790.db2.gz PYCQQVHTVKJDST-SNVBAGLBSA-N 1 0 239.319 0.982 10 0 BCAERO CCOc1nccnc1N1CC[C@@H](C[NH3+])C1 ZINC000642999641 385497430 /nfs/dbraw/zinc/49/74/30/385497430.db2.gz STBXMMZIEJKQHO-VIFPVBQESA-N 1 0 222.292 0.660 10 0 BCAERO c1cnn(CC[N@@H+]2CCC[C@@H](n3cncn3)C2)c1 ZINC000171620222 385502232 /nfs/dbraw/zinc/50/22/32/385502232.db2.gz KHVZLMMLJJEUDB-GFCCVEGCSA-N 1 0 246.318 0.812 10 0 BCAERO CC(C)(C[NH3+])C1CCS(=O)(=O)CC1 ZINC000257816894 385503066 /nfs/dbraw/zinc/50/30/66/385503066.db2.gz CCYDFLLDDHYWHJ-UHFFFAOYSA-N 1 0 205.323 0.796 10 0 BCAERO CO[C@@H]1C[C@@H](CO)[N@H+](CCC(C)(C)OC)C1 ZINC000309285686 385510325 /nfs/dbraw/zinc/51/03/25/385510325.db2.gz OOZMBZLIAGZUMP-WDEREUQCSA-N 1 0 231.336 0.883 10 0 BCAERO COc1c(C[NH2+]CCc2cn[nH]c2)c(C)nn1C ZINC000289836666 385512024 /nfs/dbraw/zinc/51/20/24/385512024.db2.gz MXEQMTJPXGRBNI-UHFFFAOYSA-N 1 0 249.318 0.793 10 0 BCAERO CC(C)(C)OC(=O)N[C@@H]1CCOC[C@H]1[NH3+] ZINC000257932682 385517300 /nfs/dbraw/zinc/51/73/00/385517300.db2.gz ABPWYJBKUUVONI-HTQZYQBOSA-N 1 0 216.281 0.627 10 0 BCAERO C[C@H]1[C@H]([NH3+])CCN1C(=O)CCn1ccccc1=O ZINC000644148562 385537322 /nfs/dbraw/zinc/53/73/22/385537322.db2.gz ZINYBQIDONEETQ-WDEREUQCSA-N 1 0 249.314 0.187 10 0 BCAERO [NH3+]Cc1cn(Cc2ccc(CO)cc2)nn1 ZINC000158021234 385543477 /nfs/dbraw/zinc/54/34/77/385543477.db2.gz CMOZKSLESKRXEM-UHFFFAOYSA-N 1 0 218.260 0.277 10 0 BCAERO CN(C)c1nccc(N2CCC(C)([NH3+])CC2)n1 ZINC000643029108 385524541 /nfs/dbraw/zinc/52/45/41/385524541.db2.gz JCAHBEJTEGPITR-UHFFFAOYSA-N 1 0 235.335 0.860 10 0 BCAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)c1ccc(F)cn1 ZINC000309353172 385549914 /nfs/dbraw/zinc/54/99/14/385549914.db2.gz XXDITNOVXMYIHL-APPZFPTMSA-N 1 0 223.251 0.782 10 0 BCAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]CC1CCOCC1 ZINC000309380081 385557487 /nfs/dbraw/zinc/55/74/87/385557487.db2.gz DDVSOSOBQGRNOJ-ONGXEEELSA-N 1 0 226.320 0.670 10 0 BCAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]CC1CCOCC1 ZINC000309380074 385558199 /nfs/dbraw/zinc/55/81/99/385558199.db2.gz DDVSOSOBQGRNOJ-GXSJLCMTSA-N 1 0 226.320 0.670 10 0 BCAERO C[C@H](CC(N)=O)[NH2+]C[C@H]1CC12CCOCC2 ZINC000309387401 385560124 /nfs/dbraw/zinc/56/01/24/385560124.db2.gz FFEVWFOGZJQESD-NXEZZACHSA-N 1 0 226.320 0.657 10 0 BCAERO C[C@@H]([NH2+][C@H]1CCC(=O)N[C@H]1C)[C@@H]1CCCO1 ZINC000309393099 385560279 /nfs/dbraw/zinc/56/02/79/385560279.db2.gz GFOQNTMLSIWUNC-VLEAKVRGSA-N 1 0 226.320 0.811 10 0 BCAERO C[NH2+][C@H](C)C(=O)N(C)C[C@H]1CCCCO1 ZINC000054076562 385594472 /nfs/dbraw/zinc/59/44/72/385594472.db2.gz HIPHAAPAXJLXOL-NXEZZACHSA-N 1 0 214.309 0.622 10 0 BCAERO C[NH2+][C@H](C)C(=O)N1CCN2CCCC[C@@H]2C1 ZINC000054075168 385595183 /nfs/dbraw/zinc/59/51/83/385595183.db2.gz VSXQAZDAFREIJB-GHMZBOCLSA-N 1 0 225.336 0.291 10 0 BCAERO CC[C@](C)(C[NH3+])C1(O)COCCOC1 ZINC000306713343 385595648 /nfs/dbraw/zinc/59/56/48/385595648.db2.gz VIYJKIGLXGNSIZ-SECBINFHSA-N 1 0 203.282 0.139 10 0 BCAERO C[NH2+][C@H](C)C(=O)N(C)Cc1cc(C)on1 ZINC000054072541 385596302 /nfs/dbraw/zinc/59/63/02/385596302.db2.gz SHKCCETUVIUVQJ-MRVPVSSYSA-N 1 0 211.265 0.549 10 0 BCAERO CC(C)(C)OC(=O)[C@H]1C[C@H](C[NH3+])[C@@H](O)C1 ZINC000229325642 385598519 /nfs/dbraw/zinc/59/85/19/385598519.db2.gz VTFJLPVDBYVBKB-YIZRAAEISA-N 1 0 215.293 0.674 10 0 BCAERO CCC[C@@H]1C[C@@H]1NC(=O)C1([NH3+])CCOCC1 ZINC000229217411 385587149 /nfs/dbraw/zinc/58/71/49/385587149.db2.gz SGRGFHRTLWMSJI-ZJUUUORDSA-N 1 0 226.320 0.799 10 0 BCAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]Cc1ccn(C)c1 ZINC000309491606 385622484 /nfs/dbraw/zinc/62/24/84/385622484.db2.gz SINGRLQFZUYVTJ-ONGXEEELSA-N 1 0 221.304 0.782 10 0 BCAERO CC[C@](C)(O)C[NH2+][C@H]1CCC(=O)N[C@@H]1C ZINC000336737914 385648493 /nfs/dbraw/zinc/64/84/93/385648493.db2.gz QRVKIFJUZCVNIA-YWVKMMECSA-N 1 0 214.309 0.404 10 0 BCAERO CC(=O)N(C)Cc1cccnc1N1CC[NH2+]CC1 ZINC000253572169 385684266 /nfs/dbraw/zinc/68/42/66/385684266.db2.gz PWHMMUHSHVGIHD-UHFFFAOYSA-N 1 0 248.330 0.470 10 0 BCAERO C[C@H]([NH2+][C@@H]1CCOC[C@@H]1C)c1ncnn1C ZINC000309549769 385689180 /nfs/dbraw/zinc/68/91/80/385689180.db2.gz HUWCFKFSBSQTMQ-LPEHRKFASA-N 1 0 224.308 0.891 10 0 BCAERO CC(C)(C)OC(=O)N1C[C@@H]2C[NH2+]C[C@H]2[C@H]1CO ZINC000255004117 385702962 /nfs/dbraw/zinc/70/29/62/385702962.db2.gz PEUZQFKMLQKCCY-IVZWLZJFSA-N 1 0 242.319 0.434 10 0 BCAERO COC[C@@H](C)NC(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000055086608 385705387 /nfs/dbraw/zinc/70/53/87/385705387.db2.gz CCZKCIKFHFTKGB-UTLUCORTSA-N 1 0 214.309 0.655 10 0 BCAERO O=S(=O)(NC1CCC1)[C@@H]1CCC[NH2+]C1 ZINC000052212848 385708636 /nfs/dbraw/zinc/70/86/36/385708636.db2.gz WDBNPNDAOTYIQN-SECBINFHSA-N 1 0 218.322 0.210 10 0 BCAERO [NH3+][C@@H]1COc2c(F)cc(F)cc2[C@@H]1O ZINC000207022797 385669281 /nfs/dbraw/zinc/66/92/81/385669281.db2.gz VVGXPVTZHDXFRP-SFYZADRCSA-N 1 0 201.172 0.718 10 0 BCAERO C[C@H]1OCC[C@H]1[NH2+]Cc1ccnc(N)c1 ZINC000292431007 385736662 /nfs/dbraw/zinc/73/66/62/385736662.db2.gz WAQZEVBVNJASGU-PSASIEDQSA-N 1 0 207.277 0.931 10 0 BCAERO c1cn2c(n1)CC[C@@H](NCc1csnn1)C2 ZINC000309611494 385746095 /nfs/dbraw/zinc/74/60/95/385746095.db2.gz MULFHWFFZVJDSF-MRVPVSSYSA-N 1 0 235.316 0.839 10 0 BCAERO CCO[C@H]1C[C@H]([NH2+]CCO)C12CCOCC2 ZINC000186212118 385748941 /nfs/dbraw/zinc/74/89/41/385748941.db2.gz KIMNOBOCPPURLH-QWRGUYRKSA-N 1 0 229.320 0.543 10 0 BCAERO CO[C@@H]1C[C@@H](CO)[N@H+](C/C=C/Cl)C1 ZINC000308251913 385751930 /nfs/dbraw/zinc/75/19/30/385751930.db2.gz GCGOFHOTYJMASA-AHQHDXANSA-N 1 0 205.685 0.821 10 0 BCAERO C[NH2+][C@H](C)C(=O)N1CCCO[C@@H](C)C1 ZINC000061920445 385752581 /nfs/dbraw/zinc/75/25/81/385752581.db2.gz VLJCMZKZHHVGHJ-DTWKUNHWSA-N 1 0 200.282 0.232 10 0 BCAERO c1nc2n(n1)C[C@@H]([NH2+]C[C@@H]1CCSC1)CC2 ZINC000309629973 385754549 /nfs/dbraw/zinc/75/45/49/385754549.db2.gz QYMCEZATMFMIJU-UWVGGRQHSA-N 1 0 238.360 0.936 10 0 BCAERO C[C@@H](C(N)=S)[N@@H+]1CCOC[C@@H](C)C1 ZINC000306981694 385788286 /nfs/dbraw/zinc/78/82/86/385788286.db2.gz IGHLLSAAMNYUAY-YUMQZZPRSA-N 1 0 202.323 0.629 10 0 BCAERO CC(C)[C@H]1OCC[C@@H]1C[NH2+][C@H](C)CC(N)=O ZINC000309667149 385784632 /nfs/dbraw/zinc/78/46/32/385784632.db2.gz IJVHBFVCTYNNCY-CKYFFXLPSA-N 1 0 228.336 0.901 10 0 BCAERO CNC(=O)[C@H]([NH2+]CCC(=O)OC(C)C)C(C)C ZINC000183672015 385816730 /nfs/dbraw/zinc/81/67/30/385816730.db2.gz WDOCJGZQYDLFIJ-LLVKDONJSA-N 1 0 244.335 0.688 10 0 BCAERO Oc1cc(F)cc(CNC[C@@H]2C[NH2+]C[C@@H]2O)c1 ZINC000263301586 385822611 /nfs/dbraw/zinc/82/26/11/385822611.db2.gz XCBMMILMLKKGHO-SKDRFNHKSA-N 1 0 240.278 0.201 10 0 BCAERO CC[C@](C)(O)C[NH2+][C@@H]1CCC(=O)N[C@@H]1C ZINC000336737911 385826733 /nfs/dbraw/zinc/82/67/33/385826733.db2.gz QRVKIFJUZCVNIA-KKZNHRDASA-N 1 0 214.309 0.404 10 0 BCAERO CO[C@H]1C[C@@H](CN(C)Cc2cc[nH]n2)[N@H+](C)C1 ZINC000284789506 385884357 /nfs/dbraw/zinc/88/43/57/385884357.db2.gz LINZUCOMLSHBAX-RYUDHWBXSA-N 1 0 238.335 0.561 10 0 BCAERO CC(C)n1nnnc1CN1CCC[C@@H]1C[NH3+] ZINC000647853442 385904739 /nfs/dbraw/zinc/90/47/39/385904739.db2.gz OKFGTJOWEGZDSU-SECBINFHSA-N 1 0 224.312 0.177 10 0 BCAERO CC(C)NC(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000308976489 385924603 /nfs/dbraw/zinc/92/46/03/385924603.db2.gz IQVZGXCWQCVQBB-LPEHRKFASA-N 1 0 211.309 0.774 10 0 BCAERO O=C1NCC2(CC[NH2+]CC2)c2ncccc21 ZINC000396911681 385863514 /nfs/dbraw/zinc/86/35/14/385863514.db2.gz KEIDPUNYHDREID-UHFFFAOYSA-N 1 0 217.272 0.446 10 0 BCAERO [NH3+]CCN1CCOC[C@H]1c1ccncc1 ZINC000616640634 385865549 /nfs/dbraw/zinc/86/55/49/385865549.db2.gz KEADGUNIWIRADJ-NSHDSACASA-N 1 0 207.277 0.414 10 0 BCAERO c1nc(CCNC2=[NH+]CCCN2)cs1 ZINC000307128383 385928014 /nfs/dbraw/zinc/92/80/14/385928014.db2.gz OPMLZDUKFZFLKH-UHFFFAOYSA-N 1 0 210.306 0.625 10 0 BCAERO CCS[C@H]1CCC[C@@H]1NC(=O)C1C[NH2+]C1 ZINC000230051708 134478787 /nfs/dbraw/zinc/47/87/87/134478787.db2.gz DRTQYDGYWDIEDP-UWVGGRQHSA-N 1 0 228.361 0.996 10 0 BCAERO COC(=O)/C=C/N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000127781431 385932383 /nfs/dbraw/zinc/93/23/83/385932383.db2.gz WEMZLKMFFIJZBH-MQQIIUIWSA-N 1 0 212.293 0.698 10 0 BCAERO c1coc(SC[C@H]2C[NH2+]CCO2)n1 ZINC000232470865 385935368 /nfs/dbraw/zinc/93/53/68/385935368.db2.gz GVMCENPLLCDUJS-SSDOTTSWSA-N 1 0 200.263 0.755 10 0 BCAERO CCn1nncc1[C@@]1(C[NH3+])CCCS1 ZINC000307671480 385973975 /nfs/dbraw/zinc/97/39/75/385973975.db2.gz UAPUAZZDFIQUHC-VIFPVBQESA-N 1 0 212.322 0.979 10 0 BCAERO Cc1nnsc1C[NH2+]C[C@@H]1CN(C)CCO1 ZINC000309263156 386000655 /nfs/dbraw/zinc/00/06/55/386000655.db2.gz IPWMRCBCADYCLJ-SECBINFHSA-N 1 0 242.348 0.267 10 0 BCAERO COC1(CC(=O)N2CC[C@H]([NH3+])[C@H]2C)CCC1 ZINC000309334791 386008244 /nfs/dbraw/zinc/00/82/44/386008244.db2.gz UBFGTSJIBGDHCW-ZJUUUORDSA-N 1 0 226.320 0.894 10 0 BCAERO CCCNC(=O)CN1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000113271174 386019340 /nfs/dbraw/zinc/01/93/40/386019340.db2.gz BZNRYMFUCDEEGH-RYUDHWBXSA-N 1 0 239.363 0.681 10 0 BCAERO CC(C)(C)OC(=O)N1C[C@@H]2O[C@@H](C[NH3+])C[C@H]2C1 ZINC000261508634 386028941 /nfs/dbraw/zinc/02/89/41/386028941.db2.gz VKZFHDQGLQGCGB-AEJSXWLSSA-N 1 0 242.319 0.970 10 0 BCAERO C[C@@H]1[C@H]([NH2+][C@@H]2CCCC[C@H]2O)CCS1(=O)=O ZINC000309828533 386032929 /nfs/dbraw/zinc/03/29/29/386032929.db2.gz IZHRJWCPTLDISQ-GWOFURMSSA-N 1 0 247.360 0.455 10 0 BCAERO C[C@@]1(CNc2ccnc(C(N)=O)c2)CCC[NH2+]C1 ZINC000129326146 386052218 /nfs/dbraw/zinc/05/22/18/386052218.db2.gz DXSUEDUZZJYUTE-CYBMUJFWSA-N 1 0 248.330 0.982 10 0 BCAERO CC[N@H+](CCO)CCNc1cc(C)nc(C)n1 ZINC000274416452 386102219 /nfs/dbraw/zinc/10/22/19/386102219.db2.gz POTFSNCMARARLX-UHFFFAOYSA-N 1 0 238.335 0.820 10 0 BCAERO C[C@]1(CNc2nccn3cnnc23)CCC[NH2+]C1 ZINC000129393575 386074928 /nfs/dbraw/zinc/07/49/28/386074928.db2.gz MPKBJEGBABVLJX-LBPRGKRZSA-N 1 0 246.318 0.926 10 0 BCAERO COC[C@H]([NH3+])C(=O)NCC1(C)CCC1 ZINC000234727579 386094424 /nfs/dbraw/zinc/09/44/24/386094424.db2.gz BANKMIAEPQMBJD-QMMMGPOBSA-N 1 0 200.282 0.267 10 0 BCAERO Cc1nc(N)nc(N2C[C@H]([NH+](C)C)[C@@H](C)C2)n1 ZINC000310095047 386096142 /nfs/dbraw/zinc/09/61/42/386096142.db2.gz HQVHIHLWJXYQQH-CBAPKCEASA-N 1 0 236.323 0.149 10 0 BCAERO CNS(=O)(=O)CC[NH2+][C@H](C)[C@@H]1C[C@@H]1C ZINC000322224284 386132696 /nfs/dbraw/zinc/13/26/96/386132696.db2.gz XZJYCXOACAJQCG-DJLDLDEBSA-N 1 0 220.338 0.170 10 0 BCAERO C[NH+](C)[C@H]1CCN(C(=O)C2CCC(=O)CC2)C1 ZINC000345863400 386133765 /nfs/dbraw/zinc/13/37/65/386133765.db2.gz WGVFMBJNRODONX-NSHDSACASA-N 1 0 238.331 0.908 10 0 BCAERO C[C@@H]1C[NH2+]C[C@@H]1C(=O)NC1CSC1 ZINC000575579463 386219193 /nfs/dbraw/zinc/21/91/93/386219193.db2.gz LBSTUNCDSJVVEZ-SVRRBLITSA-N 1 0 200.307 0.074 10 0 BCAERO Cc1nc(N)nc(N2CC[N@@H+]3CCCC[C@H]3C2)n1 ZINC000310679362 386222244 /nfs/dbraw/zinc/22/22/44/386222244.db2.gz LOWBBSMNRZKKBC-JTQLQIEISA-N 1 0 248.334 0.437 10 0 BCAERO COC(=O)[C@@H]1CCCN(C(=O)C[NH2+]C2CC2)C1 ZINC000182106054 386230940 /nfs/dbraw/zinc/23/09/40/386230940.db2.gz HSWSGVSHKUOILB-SECBINFHSA-N 1 0 240.303 0.150 10 0 BCAERO COc1ncc(Cl)c(N(C)[C@@H](C)C[NH3+])n1 ZINC000125481725 386258857 /nfs/dbraw/zinc/25/88/57/386258857.db2.gz ANBIMAHMRZDCOJ-LURJTMIESA-N 1 0 230.699 0.922 10 0 BCAERO CC[C@](C)(O)C[NH2+][C@H](COC)[C@@H]1CCCO1 ZINC000336730637 386281717 /nfs/dbraw/zinc/28/17/17/386281717.db2.gz ILFPRCBHFIJNPN-WOPDTQHZSA-N 1 0 231.336 0.931 10 0 BCAERO CCCCN(CC(N)=O)C(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000091548297 386300892 /nfs/dbraw/zinc/30/08/92/386300892.db2.gz KWMRKAGJGIFESW-ZJUUUORDSA-N 1 0 241.335 0.228 10 0 BCAERO CCC[C@H](C(=O)N[C@H]1C[C@H](O)C1(C)C)[NH+](C)C ZINC000190622313 386314598 /nfs/dbraw/zinc/31/45/98/386314598.db2.gz WGBANSYXPRVSEP-VWYCJHECSA-N 1 0 242.363 0.992 10 0 BCAERO CO[C@@H]1C[C@H](CO)[N@H+](CCOC2CCC2)C1 ZINC000347175316 386270149 /nfs/dbraw/zinc/27/01/49/386270149.db2.gz CVJAXOYBACTBKH-ZYHUDNBSSA-N 1 0 229.320 0.637 10 0 BCAERO CC[N@H+](CCOCCO)CC1(O)CCC1 ZINC000336703110 386412125 /nfs/dbraw/zinc/41/21/25/386412125.db2.gz QIFWCJWMYWTPHY-UHFFFAOYSA-N 1 0 217.309 0.232 10 0 BCAERO CCN(C)C(=O)C[N@@H+]1C[C@H](O)CC[C@@H]1C ZINC000399157927 386431688 /nfs/dbraw/zinc/43/16/88/386431688.db2.gz JCKBQCIZOQBDLA-VHSXEESVSA-N 1 0 214.309 0.310 10 0 BCAERO CN1C(=O)OC2(C[NH2+]C2)[C@@H]1c1ccc[nH]1 ZINC000521399956 386435131 /nfs/dbraw/zinc/43/51/31/386435131.db2.gz FPQHGFXKUFEVJP-QMMMGPOBSA-N 1 0 207.233 0.480 10 0 BCAERO Cc1ccncc1C(=O)N1CC[C@@H]([NH3+])[C@H]1C ZINC000335432897 386491922 /nfs/dbraw/zinc/49/19/22/386491922.db2.gz FGOJAECXCMAZLW-MWLCHTKSSA-N 1 0 219.288 0.952 10 0 BCAERO O=C([C@H]1CCC[NH2+]C1)N1CCn2ccnc2C1 ZINC000062254712 386507459 /nfs/dbraw/zinc/50/74/59/386507459.db2.gz FMEXBDOXULQGRI-JTQLQIEISA-N 1 0 234.303 0.225 10 0 BCAERO O=C([C@H]1CCCC[NH2+]1)N1CCn2ccnc2C1 ZINC000062254706 386507788 /nfs/dbraw/zinc/50/77/88/386507788.db2.gz DTWIWCUKRGSDGP-SNVBAGLBSA-N 1 0 234.303 0.367 10 0 BCAERO C[C@H]1CC[C@H](O)C[N@@H+]1CCn1cccn1 ZINC000399344417 386516682 /nfs/dbraw/zinc/51/66/82/386516682.db2.gz VELQOYJIEGVHSO-QWRGUYRKSA-N 1 0 209.293 0.728 10 0 BCAERO C[C@H](NC(=O)[C@@]1(C[NH3+])CCCOC1)C1CC1 ZINC000637892395 386519372 /nfs/dbraw/zinc/51/93/72/386519372.db2.gz JAORXCLPUJMEBI-JOYOIKCWSA-N 1 0 226.320 0.657 10 0 BCAERO CCO[C@@H]1C[C@H]1C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000262613024 386533438 /nfs/dbraw/zinc/53/34/38/386533438.db2.gz YRKUHTCZTOJEJF-IJLUTSLNSA-N 1 0 240.347 0.917 10 0 BCAERO C[NH+](C)[C@@H]1CCN(C(=O)C2(C[NH3+])CCCC2)C1 ZINC000062967576 386535646 /nfs/dbraw/zinc/53/56/46/386535646.db2.gz RUKISHLNPJJBNL-LLVKDONJSA-N 1 0 239.363 0.668 10 0 BCAERO CC(=O)N1C[C@H]([NH3+])CC[C@@H]1C(F)(F)F ZINC000238856742 386536606 /nfs/dbraw/zinc/53/66/06/386536606.db2.gz XBNMCHLRVSHTQD-RNFRBKRXSA-N 1 0 210.199 0.887 10 0 BCAERO Cn1ccnc1CN1C[C@@H](F)C[C@H]1C[NH3+] ZINC000238855478 386537541 /nfs/dbraw/zinc/53/75/41/386537541.db2.gz SADIJZYBXRUBQD-IUCAKERBSA-N 1 0 212.272 0.291 10 0 BCAERO C[C@@H]([NH3+])CCNS(=O)(=O)c1cccc(F)c1 ZINC000063171249 386540503 /nfs/dbraw/zinc/54/05/03/386540503.db2.gz ZSIBHILGSFPJIR-MRVPVSSYSA-N 1 0 246.307 0.841 10 0 BCAERO C[C@@H]([NH3+])CCNS(=O)(=O)N1CCC[C@@H](C)C1 ZINC000063171042 386541826 /nfs/dbraw/zinc/54/18/26/386541826.db2.gz FDRUYJMKGHVLSZ-NXEZZACHSA-N 1 0 249.380 0.290 10 0 BCAERO NC(=O)c1cccc(CN2CCC[C@H]2C[NH3+])c1 ZINC000123448784 386554931 /nfs/dbraw/zinc/55/49/31/386554931.db2.gz MMJNDYISZOFIEI-LBPRGKRZSA-N 1 0 233.315 0.709 10 0 BCAERO O=C(NC[C@@H]1CCCOC1)[C@H]1CC[NH2+]C1 ZINC000062115460 386568185 /nfs/dbraw/zinc/56/81/85/386568185.db2.gz JKYFIYOWSJLHBT-UWVGGRQHSA-N 1 0 212.293 0.139 10 0 BCAERO [NH3+][C@H]1C[C@@H](C(=O)NC[C@@H]2CCC[C@H]2O)C1 ZINC000648045671 386569809 /nfs/dbraw/zinc/56/98/09/386569809.db2.gz QXOKMCQZQZRSAF-AXTSPUMRSA-N 1 0 212.293 0.001 10 0 BCAERO COC(=O)CCC[NH2+][C@H]1CCC(=O)N[C@H]1C ZINC000336758002 386623539 /nfs/dbraw/zinc/62/35/39/386623539.db2.gz HZHWALZYCKRUJS-IUCAKERBSA-N 1 0 228.292 0.196 10 0 BCAERO C[C@H]1C[N@H+](CC2(O)CCC2)C[C@H]1N(C)C ZINC000335529496 386675912 /nfs/dbraw/zinc/67/59/12/386675912.db2.gz MPRGFTPUMLMVLB-WDEREUQCSA-N 1 0 212.337 0.783 10 0 BCAERO CC(C)[C@@H](O)C[N@H+](C)C[C@H]1CN(C)CCO1 ZINC000644993612 386658958 /nfs/dbraw/zinc/65/89/58/386658958.db2.gz DHUCBKIJBFJCAT-NEPJUHHUSA-N 1 0 230.352 0.266 10 0 BCAERO C[C@H](C[N@@H+]1CCC[C@@H](O)C1)C(N)=S ZINC000218447494 386711286 /nfs/dbraw/zinc/71/12/86/386711286.db2.gz HBZUNPVIILBFLD-HTQZYQBOSA-N 1 0 202.323 0.365 10 0 BCAERO C[C@@H](Nc1ccnc(C(N)=O)c1)[C@H]1CCC[NH2+]C1 ZINC000050163776 386687559 /nfs/dbraw/zinc/68/75/59/386687559.db2.gz KJMRMHYZKVJXQH-ZJUUUORDSA-N 1 0 248.330 0.981 10 0 BCAERO C[C@]1([C@@H]2OC[C@@H](C[NH3+])O2)CCCS1 ZINC000306705619 386739616 /nfs/dbraw/zinc/73/96/16/386739616.db2.gz KYNDHRRZGCKTMC-IWSPIJDZSA-N 1 0 203.307 0.972 10 0 BCAERO CC(C)[C@@H]([NH3+])C(=O)N1CCO[C@@H](C)C1 ZINC000019434186 386779408 /nfs/dbraw/zinc/77/94/08/386779408.db2.gz SBUIXQYRCDFUMP-DTWKUNHWSA-N 1 0 200.282 0.217 10 0 BCAERO [NH3+][C@@H]1CCO[C@H]1CN1CCSCC1 ZINC000575450356 386786224 /nfs/dbraw/zinc/78/62/24/386786224.db2.gz LFWIJAATZBPZBA-BDAKNGLRSA-N 1 0 202.323 0.151 10 0 BCAERO CC[NH2+][C@@H](C)C(=O)N[C@@H]1CCCOC1 ZINC000637981351 386835805 /nfs/dbraw/zinc/83/58/05/386835805.db2.gz FZXZTGCTDADLAS-DTWKUNHWSA-N 1 0 200.282 0.280 10 0 BCAERO F[C@@H]1CCN(C[C@@H]2CSCC[NH2+]2)C1 ZINC000575453733 386840316 /nfs/dbraw/zinc/84/03/16/386840316.db2.gz NCPLMFSXKZEZJA-RKDXNWHRSA-N 1 0 204.314 0.735 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@H](O)C(C)(C)C ZINC000324298610 386842664 /nfs/dbraw/zinc/84/26/64/386842664.db2.gz CGWDKLWCTUGHRM-BBBLOLIVSA-N 1 0 228.336 0.365 10 0 BCAERO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)[C@@H]3CCCO3)C[C@@H]21 ZINC000125692782 386867119 /nfs/dbraw/zinc/86/71/19/386867119.db2.gz RMZYMGHVGILMTR-YFKTTZPYSA-N 1 0 238.331 0.751 10 0 BCAERO C[NH+]1CCC(C(=O)NC[C@H]2CCC[C@H]2O)CC1 ZINC000334850438 386901135 /nfs/dbraw/zinc/90/11/35/386901135.db2.gz RUKDJAZJUBOBDP-VXGBXAGGSA-N 1 0 240.347 0.605 10 0 BCAERO CCOC[C@H](C)[NH2+][C@H]1CCC(=O)N[C@H]1C ZINC000336762893 386942797 /nfs/dbraw/zinc/94/27/97/386942797.db2.gz OGSYDLIABAVSDP-GUBZILKMSA-N 1 0 214.309 0.668 10 0 BCAERO O=C1NC[C@H](C[N@H+]2C[C@@H]3CC[C@H](O)C[C@H]3C2)O1 ZINC000398724570 386970077 /nfs/dbraw/zinc/97/00/77/386970077.db2.gz TVNADUMAWVIBMX-XWLWVQCSSA-N 1 0 240.303 0.188 10 0 BCAERO O=C1NC[C@H](C[N@H+]2C[C@@H]3CC[C@@H](O)C[C@H]3C2)O1 ZINC000398724569 386970164 /nfs/dbraw/zinc/97/01/64/386970164.db2.gz TVNADUMAWVIBMX-UKKRHICBSA-N 1 0 240.303 0.188 10 0 BCAERO CC[C@@H](C)C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000116789684 386976813 /nfs/dbraw/zinc/97/68/13/386976813.db2.gz PHSRDLZWLURJNZ-MNOVXSKESA-N 1 0 228.336 0.822 10 0 BCAERO COC[C@@H](C)C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000116797168 386979398 /nfs/dbraw/zinc/97/93/98/386979398.db2.gz IKKLUZHICFNUOK-MNOVXSKESA-N 1 0 244.335 0.058 10 0 BCAERO CN(C)C(=O)C[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000398744794 386982672 /nfs/dbraw/zinc/98/26/72/386982672.db2.gz RMRRCMHXBYJWTK-HBNTYKKESA-N 1 0 226.320 0.167 10 0 BCAERO CN(C[C@H]1CCCOC1)C(=O)[C@H]1CCC[NH2+]C1 ZINC000104196160 387000964 /nfs/dbraw/zinc/00/09/64/387000964.db2.gz UVFNGMZMAKARHS-NEPJUHHUSA-N 1 0 240.347 0.871 10 0 BCAERO CCN1c2ccc([C@@H](O)C[NH3+])cc2CCC1=O ZINC000575421681 387031347 /nfs/dbraw/zinc/03/13/47/387031347.db2.gz BPETXYVMIHLEEI-LBPRGKRZSA-N 1 0 234.299 0.978 10 0 BCAERO C[C@@H]1[NH2+]CC[C@H]1C(=O)NC1CSC1 ZINC000575580098 387050417 /nfs/dbraw/zinc/05/04/17/387050417.db2.gz OZJMPZHNFAAABR-POYBYMJQSA-N 1 0 200.307 0.216 10 0 BCAERO C[C@H]1[NH2+]CC[C@H]1C(=O)NC1CSC1 ZINC000575580097 387050763 /nfs/dbraw/zinc/05/07/63/387050763.db2.gz OZJMPZHNFAAABR-HTRCEHHLSA-N 1 0 200.307 0.216 10 0 BCAERO C[C@@H]1C[C@@]1(C)[NH2+][C@H]1CCS(=O)(=O)C1 ZINC000575580183 387050902 /nfs/dbraw/zinc/05/09/02/387050902.db2.gz QPLXDITWAYEVMS-HRDYMLBCSA-N 1 0 203.307 0.562 10 0 BCAERO CCCCOCC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000118330126 387053173 /nfs/dbraw/zinc/05/31/73/387053173.db2.gz XDDZFPTYQBDUAU-NSHDSACASA-N 1 0 228.336 0.966 10 0 BCAERO CC(C)NC(=O)[C@H]1C[NH2+]Cc2c[nH]nc21 ZINC000575434002 387057781 /nfs/dbraw/zinc/05/77/81/387057781.db2.gz CNCSPGPQDDKQSU-QMMMGPOBSA-N 1 0 208.265 0.121 10 0 BCAERO C[C@H]1CC[C@@H](NC(=O)N(C)C2C[NH2+]C2)C1 ZINC000334933555 387011237 /nfs/dbraw/zinc/01/12/37/387011237.db2.gz YFBXBZSSTDPKFC-DTWKUNHWSA-N 1 0 211.309 0.788 10 0 BCAERO CN1CC[C@H]([N@@H+]2C[C@@H]3CC[C@@H](O)C[C@H]3C2)C1=O ZINC000398893887 387013338 /nfs/dbraw/zinc/01/33/38/387013338.db2.gz KJHHVUFCZIVODS-YFKTTZPYSA-N 1 0 238.331 0.310 10 0 BCAERO O=C(C[N@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1)N1CCC1 ZINC000398923542 387020603 /nfs/dbraw/zinc/02/06/03/387020603.db2.gz QZZXXVWQPRFANY-SRVKXCTJSA-N 1 0 238.331 0.312 10 0 BCAERO c1nc2ncnc(NC[C@H]3CCC[NH2+]3)c2[nH]1 ZINC000053255020 387022144 /nfs/dbraw/zinc/02/21/44/387022144.db2.gz BRLNQWADNONJGZ-SSDOTTSWSA-N 1 0 218.264 0.517 10 0 BCAERO NC(=S)[C@H]1CC[N@@H+]([C@@H]2CCOC2)C1 ZINC000575456249 387027649 /nfs/dbraw/zinc/02/76/49/387027649.db2.gz QUNLYBLELINFJA-JGVFFNPUSA-N 1 0 200.307 0.383 10 0 BCAERO C[C@@H]1OCC[C@@H]1NC(=O)NCC1([NH3+])CCC1 ZINC000334952615 387029192 /nfs/dbraw/zinc/02/91/92/387029192.db2.gz ROCMTBKMHAEQQD-IUCAKERBSA-N 1 0 227.308 0.344 10 0 BCAERO O[C@H](c1cscn1)[C@H]1CSCC[NH2+]1 ZINC000575468395 387083550 /nfs/dbraw/zinc/08/35/50/387083550.db2.gz OYMLJFJCDCOWNB-SVRRBLITSA-N 1 0 216.331 0.882 10 0 BCAERO C[C@@H]1C[C@]1([NH3+])C[C@H]1CCCS1(=O)=O ZINC000575468697 387087382 /nfs/dbraw/zinc/08/73/82/387087382.db2.gz NJNAYNZUJVNQHI-HLTSFMKQSA-N 1 0 203.307 0.691 10 0 BCAERO CS(C)(=O)=NC(=O)C1=CC[C@@H]([NH3+])C1 ZINC000575470917 387105996 /nfs/dbraw/zinc/10/59/96/387105996.db2.gz MYMOMEVOXYKHJU-SSDOTTSWSA-N 1 0 202.279 0.288 10 0 BCAERO [NH3+][C@@H]1COC[C@@H]1[C@H](O)c1cscn1 ZINC000575471743 387108372 /nfs/dbraw/zinc/10/83/72/387108372.db2.gz BIQPHMXOBYQPQC-BBVRLYRLSA-N 1 0 200.263 0.150 10 0 BCAERO O[C@H](C1=COCC1)[C@@H]1CSCC[NH2+]1 ZINC000575471704 387109033 /nfs/dbraw/zinc/10/90/33/387109033.db2.gz PLZVWONQQZUNOO-DTWKUNHWSA-N 1 0 201.291 0.357 10 0 BCAERO [NH3+]C[C@@]1(N2CC[C@H](F)C2)CCSC1 ZINC000575472091 387110918 /nfs/dbraw/zinc/11/09/18/387110918.db2.gz PMVASRRICJRKED-IUCAKERBSA-N 1 0 204.314 0.865 10 0 BCAERO [NH3+]CCC[C@H]([NH3+])c1ccc(O)c(C(=O)[O-])c1 ZINC000575439898 387126306 /nfs/dbraw/zinc/12/63/06/387126306.db2.gz XNMNKSMENLCERL-VIFPVBQESA-N 1 0 224.260 0.829 10 0 BCAERO C[NH2+]C[C@H](O)CN(C)C(=O)OC(C)(C)C ZINC000118534266 387156190 /nfs/dbraw/zinc/15/61/90/387156190.db2.gz CHNKIQHZJLEFSM-QMMMGPOBSA-N 1 0 218.297 0.434 10 0 BCAERO C[C@H](C[NH3+])Nc1cnn(C)c1Br ZINC000575478448 387162326 /nfs/dbraw/zinc/16/23/26/387162326.db2.gz GCUGHTJWBOFFCX-RXMQYKEDSA-N 1 0 233.113 0.942 10 0 BCAERO COc1ccc2c(c1)C(=O)N(C)[C@H]2C[NH3+] ZINC000536953357 387166749 /nfs/dbraw/zinc/16/67/49/387166749.db2.gz GTBQQNIVWPCTBL-JTQLQIEISA-N 1 0 206.245 0.781 10 0 BCAERO CO[C@@H]1C[C@@H](CO)[N@H+](Cc2ccccn2)C1 ZINC000284598646 387210187 /nfs/dbraw/zinc/21/01/87/387210187.db2.gz POYUZWCGHBWYQP-NWDGAFQWSA-N 1 0 222.288 0.663 10 0 BCAERO C[C@@H]1CCC[C@@H]1C(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000230175433 387240068 /nfs/dbraw/zinc/24/00/68/387240068.db2.gz YYVPKRRJULYLLR-NTZNESFSSA-N 1 0 242.363 0.851 10 0 BCAERO CCN(C)C(=O)[C@@H](C)[NH2+]CC1CCOCC1 ZINC000188480185 134525870 /nfs/dbraw/zinc/52/58/70/134525870.db2.gz IJXSTKIEAQLLPG-SNVBAGLBSA-N 1 0 228.336 0.869 10 0 BCAERO CC(C)(O)C(=O)N1CCN2CCCC[C@H]2C1 ZINC000230105972 387251675 /nfs/dbraw/zinc/25/16/75/387251675.db2.gz VLUGMWIICKSIKU-JTQLQIEISA-N 1 0 226.320 0.454 10 0 BCAERO Cc1ocnc1CNC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000398052901 387319000 /nfs/dbraw/zinc/31/90/00/387319000.db2.gz GLLJGTLDOMRQOM-VXNVDRBHSA-N 1 0 223.276 0.455 10 0 BCAERO Cc1cncc(C[N@@H+]2CCC[C@](O)(C(N)=O)C2)c1 ZINC000286164470 387315821 /nfs/dbraw/zinc/31/58/21/387315821.db2.gz MALWOYYTUQUXDD-CYBMUJFWSA-N 1 0 249.314 0.202 10 0 BCAERO CC(C)(C)OC(=O)N[C@@H]1[C@H]([NH3+])[C@@H]2CCO[C@@H]12 ZINC000575488431 387258946 /nfs/dbraw/zinc/25/89/46/387258946.db2.gz ZVGRCWXQTQQIAV-JQCXWYLXSA-N 1 0 228.292 0.626 10 0 BCAERO C[C@H]1CC[NH2+]C[C@@H]1CN=S(C)(C)=O ZINC000575489148 387259778 /nfs/dbraw/zinc/25/97/78/387259778.db2.gz ZYLPSDSNVMVNCN-DTWKUNHWSA-N 1 0 204.339 0.960 10 0 BCAERO C[C@H]([NH3+])[C@H](C)C(=O)Nc1csnn1 ZINC000575492769 387269035 /nfs/dbraw/zinc/26/90/35/387269035.db2.gz LBNPWMKHBOZNHN-WHFBIAKZSA-N 1 0 200.267 0.460 10 0 BCAERO C[C@@H]1CSC[C@@H]1[NH2+][C@@H]1CCC(=O)N[C@@H]1C ZINC000392931287 387303205 /nfs/dbraw/zinc/30/32/05/387303205.db2.gz KKQYEIBFDCOFBC-KYXWUPHJSA-N 1 0 228.361 0.995 10 0 BCAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1ncnn1C ZINC000162367721 387303245 /nfs/dbraw/zinc/30/32/45/387303245.db2.gz JQTVPWGWQADCNP-RNFRBKRXSA-N 1 0 211.269 0.127 10 0 BCAERO C[C@@H]1CSC[C@@H]1[NH2+][C@H]1CCC(=O)N[C@@H]1C ZINC000392931285 387303569 /nfs/dbraw/zinc/30/35/69/387303569.db2.gz KKQYEIBFDCOFBC-IMSYWVGJSA-N 1 0 228.361 0.995 10 0 BCAERO CCn1nccc1C[NH2+][C@H]1CCC(=O)N[C@H]1C ZINC000392963223 387305129 /nfs/dbraw/zinc/30/51/29/387305129.db2.gz PZEIMBLOXBACKQ-ONGXEEELSA-N 1 0 236.319 0.660 10 0 BCAERO C[C@H]1NC(=O)CC[C@@H]1[NH2+]CC(=O)NC(C)(C)C ZINC000393002394 387307759 /nfs/dbraw/zinc/30/77/59/387307759.db2.gz LVWUMMSLEOOUSF-BDAKNGLRSA-N 1 0 241.335 0.158 10 0 BCAERO [NH3+][C@@H]1CCN(CC2SCCS2)C1 ZINC000575497154 387326308 /nfs/dbraw/zinc/32/63/08/387326308.db2.gz DVMVHHKCLKVMAF-SSDOTTSWSA-N 1 0 204.364 0.826 10 0 BCAERO [NH3+][C@H]1CCN(CC2SCCS2)C1 ZINC000575497159 387326847 /nfs/dbraw/zinc/32/68/47/387326847.db2.gz DVMVHHKCLKVMAF-ZETCQYMHSA-N 1 0 204.364 0.826 10 0 BCAERO C[C@@H]1CC[N@H+](CC(N)=S)C[C@@H](C)O1 ZINC000575498888 387344139 /nfs/dbraw/zinc/34/41/39/387344139.db2.gz ANJYQZNAROWINH-HTQZYQBOSA-N 1 0 202.323 0.772 10 0 BCAERO NC(=S)C[C@@H]1CC[N@@H+]([C@H]2CCOC2)C1 ZINC000306577719 387437634 /nfs/dbraw/zinc/43/76/34/387437634.db2.gz LMUHSECULUIQCX-IUCAKERBSA-N 1 0 214.334 0.773 10 0 BCAERO [NH3+][C@H]1CC[C@H]1C1CCS(=O)(=O)CC1 ZINC000575518539 387438721 /nfs/dbraw/zinc/43/87/21/387438721.db2.gz YSCYTTKZCYVXKR-IUCAKERBSA-N 1 0 203.307 0.549 10 0 BCAERO Cn1c(Cl)cnc1[C@@H]1C[C@H]([NH3+])CO1 ZINC000575508781 387392430 /nfs/dbraw/zinc/39/24/30/387392430.db2.gz SLEOBYYWNWJAMR-WDSKDSINSA-N 1 0 201.657 0.862 10 0 BCAERO CN(CCc1nccs1)C(=O)[C@H]1CC[NH2+]C1 ZINC000515644816 387406198 /nfs/dbraw/zinc/40/61/98/387406198.db2.gz LJTOERZPSPYIHY-VIFPVBQESA-N 1 0 239.344 0.754 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N(C)C1CCOCC1 ZINC000036873456 387409597 /nfs/dbraw/zinc/40/95/97/387409597.db2.gz ODGHBYFYTLJMHM-JTQLQIEISA-N 1 0 214.309 0.751 10 0 BCAERO C[N@H+](CCN1CCCC1=O)[C@H]1CCC[C@H]1O ZINC000352658260 387422078 /nfs/dbraw/zinc/42/20/78/387422078.db2.gz INMWCWOMUFPLKS-WDEREUQCSA-N 1 0 226.320 0.454 10 0 BCAERO CO[C@H]1C[NH2+][C@@H](C(=O)NCC2CCC2)C1 ZINC000040631615 387497745 /nfs/dbraw/zinc/49/77/45/387497745.db2.gz MWPGMGOPVUTKMC-NXEZZACHSA-N 1 0 212.293 0.280 10 0 BCAERO CC1=C(N2N=CC3(CC[NH2+]CC3)C2=O)COC1=O ZINC000584623794 387502790 /nfs/dbraw/zinc/50/27/90/387502790.db2.gz TUTWXERTLQNWFJ-UHFFFAOYSA-N 1 0 249.270 0.015 10 0 BCAERO CO[C@H]1C[NH2+][C@@H](C(=O)NC[C@@H]2CCCCO2)C1 ZINC000042823238 387509488 /nfs/dbraw/zinc/50/94/88/387509488.db2.gz UYNXXNNEGKHGIA-HBNTYKKESA-N 1 0 242.319 0.049 10 0 BCAERO Cn1ncc(Br)c1[C@H](O)C1([NH3+])CC1 ZINC000575528470 387538013 /nfs/dbraw/zinc/53/80/13/387538013.db2.gz SNEXAGLYTREMNR-ZETCQYMHSA-N 1 0 246.108 0.707 10 0 BCAERO CCC[C@@H](O)CNC(=O)[C@@H]([NH3+])CCC ZINC000157624081 387538382 /nfs/dbraw/zinc/53/83/82/387538382.db2.gz RSTHJIVMHIBBNA-BDAKNGLRSA-N 1 0 202.298 0.391 10 0 BCAERO C[C@@H]1CCN1C(=O)[C@H]1C[NH2+]CCS1 ZINC000575536799 387585976 /nfs/dbraw/zinc/58/59/76/387585976.db2.gz AKCDWDIFAONORV-HTQZYQBOSA-N 1 0 200.307 0.312 10 0 BCAERO Cn1ncc(Br)c1[C@H]1COC[C@H]1[NH3+] ZINC000575531644 387548793 /nfs/dbraw/zinc/54/87/93/387548793.db2.gz QPTJEOAXFPNQBE-CAHLUQPWSA-N 1 0 246.108 0.624 10 0 BCAERO CC(C)[C@H](C(=O)N[C@@H]1CCO[C@@H]1C)[C@H](C)[NH3+] ZINC000399535467 387552789 /nfs/dbraw/zinc/55/27/89/387552789.db2.gz UKLGCOAIVDMJHS-ZDCRXTMVSA-N 1 0 228.336 0.899 10 0 BCAERO C[C@@H]1C[C@@H]1NC(=O)[C@H]1C[NH2+]CCS1 ZINC000575534905 387574464 /nfs/dbraw/zinc/57/44/64/387574464.db2.gz SQOBFYFXCNJWFW-GJMOJQLCSA-N 1 0 200.307 0.216 10 0 BCAERO CC[C@H]1CN2C=NC(N3CC[NH2+]CC3)=CC2=N1 ZINC000334160123 387576764 /nfs/dbraw/zinc/57/67/64/387576764.db2.gz GQNUSGGRIMOHTI-JTQLQIEISA-N 1 0 233.319 0.268 10 0 BCAERO CC(C)C[C@]1([NH3+])CCS(=O)(=O)[C@@H]1C ZINC000575550178 387641974 /nfs/dbraw/zinc/64/19/74/387641974.db2.gz QKDFXFRTFFNGQF-RKDXNWHRSA-N 1 0 205.323 0.937 10 0 BCAERO CC[C@H](C)[C@]1([NH3+])CCS(=O)(=O)[C@H]1C ZINC000575548212 387644365 /nfs/dbraw/zinc/64/43/65/387644365.db2.gz CFFXKOSKXFJXQR-XHNCKOQMSA-N 1 0 205.323 0.937 10 0 BCAERO C[C@H]1NC(=O)CC[C@@H]1[NH2+]CCN1CCCCC1 ZINC000440943766 387714387 /nfs/dbraw/zinc/71/43/87/387714387.db2.gz RKKVZEYNWXPIIG-NEPJUHHUSA-N 1 0 239.363 0.729 10 0 BCAERO CCN(C)C(=O)N1C[C@@H](C)[C@H]([NH+](C)C)C1 ZINC000127592985 387718744 /nfs/dbraw/zinc/71/87/44/387718744.db2.gz GEJPLSYMJMNHFB-NXEZZACHSA-N 1 0 213.325 0.940 10 0 BCAERO O=C1C[C@@]2(CC[N@H+](Cc3ccccc3)C2)NN1 ZINC000575569065 387730185 /nfs/dbraw/zinc/73/01/85/387730185.db2.gz GBJGKZVOHSKRKJ-CYBMUJFWSA-N 1 0 231.299 0.656 10 0 BCAERO COC(=O)[C@H](C)C[NH2+][C@@H]1CCO[C@H]1C ZINC000134543912 134713694 /nfs/dbraw/zinc/71/36/94/134713694.db2.gz YCVBUPXFDMDCMV-HRDYMLBCSA-N 1 0 201.266 0.563 10 0 BCAERO CC[C@@H](COC)[NH2+]C[C@H](O)CN1CCCCC1 ZINC000151335387 387823302 /nfs/dbraw/zinc/82/33/02/387823302.db2.gz ZMYHYVBNEGHQTD-STQMWFEESA-N 1 0 244.379 0.848 10 0 BCAERO CC[C@H](COC)[NH2+]C[C@@H](O)CN1CCCCC1 ZINC000151335548 387823880 /nfs/dbraw/zinc/82/38/80/387823880.db2.gz ZMYHYVBNEGHQTD-CHWSQXEVSA-N 1 0 244.379 0.848 10 0 BCAERO CN1C(=O)C[C@H](C[NH3+])[C@H]1c1ccncc1 ZINC000390822006 387839851 /nfs/dbraw/zinc/83/98/51/387839851.db2.gz FHRVACOAZZOVTQ-MWLCHTKSSA-N 1 0 205.261 0.560 10 0 BCAERO CN1CCO[C@@H](CNC(=O)c2ccoc2)C1 ZINC000194626575 387887263 /nfs/dbraw/zinc/88/72/63/387887263.db2.gz QTCNDTIDQQELQQ-JTQLQIEISA-N 1 0 224.260 0.340 10 0 BCAERO C[C@@H]1C[C@H]1C(=O)NC[C@@H]1CN(C)CCO1 ZINC000194632104 387887389 /nfs/dbraw/zinc/88/73/89/387887389.db2.gz WFVYBYULDMULME-OPRDCNLKSA-N 1 0 212.293 0.089 10 0 BCAERO Cc1occc1C(=O)NC[C@H]1CN(C)CCO1 ZINC000194628352 387888411 /nfs/dbraw/zinc/88/84/11/387888411.db2.gz GJYJUXUTOGNTKY-JTQLQIEISA-N 1 0 238.287 0.648 10 0 BCAERO Cc1cc(C)c(C(N)=[NH2+])c(N2CCC[C@@H]2CO)n1 ZINC000042432923 177839269 /nfs/dbraw/zinc/83/92/69/177839269.db2.gz UKZHSCPXLLEGSE-SNVBAGLBSA-N 1 0 248.330 0.944 10 0 BCAERO CC(C)n1nnnc1CN1C[C@@H](C)[NH2+]C[C@H]1C ZINC000420408842 387998559 /nfs/dbraw/zinc/99/85/59/387998559.db2.gz WJBBZARAFINMDQ-NXEZZACHSA-N 1 0 238.339 0.436 10 0 BCAERO C[C@@H]1CC[C@@H](C(=O)N2CC[C@@H](C[NH+](C)C)C2)O1 ZINC000245982300 388000109 /nfs/dbraw/zinc/00/01/09/388000109.db2.gz HBBRBHBRCDHKDH-WOPDTQHZSA-N 1 0 240.347 0.964 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)NC[C@H]2CC[N@H+](C)C2)O1 ZINC000246083109 388007061 /nfs/dbraw/zinc/00/70/61/388007061.db2.gz UEMJXMSHFWKESI-GMTAPVOTSA-N 1 0 226.320 0.622 10 0 BCAERO C[C@@H](C(=O)N1CCN(C)C[C@H]1C)[C@H](C)[NH3+] ZINC000261531518 135108542 /nfs/dbraw/zinc/10/85/42/135108542.db2.gz GWOBZMNSDWPLQK-BBBLOLIVSA-N 1 0 213.325 0.132 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N(C)C[C@@H]1CCCO1 ZINC000082559838 388036669 /nfs/dbraw/zinc/03/66/69/388036669.db2.gz OXEYGTYFYLYLTN-OUAUKWLOSA-N 1 0 226.320 0.479 10 0 BCAERO [NH3+][C@@H](CNc1ncnc2nc[nH]c21)C1CC1 ZINC000082594000 388037734 /nfs/dbraw/zinc/03/77/34/388037734.db2.gz ZPPFAIUSKRTHOT-ZETCQYMHSA-N 1 0 218.264 0.502 10 0 BCAERO CS[C@H](C)C(=O)NC[C@H]1CC[NH2+]C1 ZINC000261527482 135152058 /nfs/dbraw/zinc/15/20/58/135152058.db2.gz BSWUGDDDICZCQE-SFYZADRCSA-N 1 0 202.323 0.464 10 0 BCAERO Cn1ccnc1CNC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000085013082 388083222 /nfs/dbraw/zinc/08/32/22/388083222.db2.gz KLEVYSYAAVYGNF-IUCAKERBSA-N 1 0 222.292 0.164 10 0 BCAERO CCN1CCN(C(=O)[C@@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000085009382 388083258 /nfs/dbraw/zinc/08/32/58/388083258.db2.gz IMNYNRMUARPHCW-GHMZBOCLSA-N 1 0 225.336 0.278 10 0 BCAERO CC[C@H]([NH3+])C(=O)N1CCOCC1(C)C ZINC000042463011 388094435 /nfs/dbraw/zinc/09/44/35/388094435.db2.gz UAFRCXWKKXGGAV-QMMMGPOBSA-N 1 0 200.282 0.361 10 0 BCAERO COC[C@H]([NH3+])C(=O)NC[C@H](C)c1ccccc1 ZINC000083363511 388049782 /nfs/dbraw/zinc/04/97/82/388049782.db2.gz MABIOTGYPDJGTC-JQWIXIFHSA-N 1 0 236.315 0.880 10 0 BCAERO O[C@H]1C[NH2+]C[C@H]1CNCc1ccsc1 ZINC000261528303 135153307 /nfs/dbraw/zinc/15/33/07/135153307.db2.gz MLFYOQWXTAZFJH-ZJUUUORDSA-N 1 0 212.318 0.418 10 0 BCAERO CC(C)[C@@H]([NH3+])CC(=O)N(C)Cc1cnccn1 ZINC000646030587 388129154 /nfs/dbraw/zinc/12/91/54/388129154.db2.gz WLPXCPRQSVMWOL-NSHDSACASA-N 1 0 236.319 0.808 10 0 BCAERO C[NH2+]CC(=O)N[C@@H]1CCCC[C@@H]1OC ZINC000261528077 135153142 /nfs/dbraw/zinc/15/31/42/135153142.db2.gz GXNZFXJGDGXKAL-BDAKNGLRSA-N 1 0 200.282 0.280 10 0 BCAERO CC(C)[C@H](O)C[N@@H+]1C[C@H](C)C[C@@H](O)C1 ZINC000307003520 256523299 /nfs/dbraw/zinc/52/32/99/256523299.db2.gz DIHUYBKUZKUUMF-GMTAPVOTSA-N 1 0 201.310 0.706 10 0 BCAERO CCc1nsc(N2C[C@H](C)[C@H]([NH3+])C2)n1 ZINC000261528576 135154260 /nfs/dbraw/zinc/15/42/60/135154260.db2.gz MGXYFTQUNYQZAA-NKWVEPMBSA-N 1 0 212.322 0.884 10 0 BCAERO Cc1c(C[NH2+][C@@H](C)C[C@H](C)O)cnn1C ZINC000164613729 388241395 /nfs/dbraw/zinc/24/13/95/388241395.db2.gz GFPHSMYBPYFYIH-IUCAKERBSA-N 1 0 211.309 0.978 10 0 BCAERO C[C@H]1CN(C(=O)c2ccc3n[nH]nc3c2)C[C@H]1[NH3+] ZINC000518977435 256640145 /nfs/dbraw/zinc/64/01/45/256640145.db2.gz QLJXYCNXIADLKN-IONNQARKSA-N 1 0 245.286 0.377 10 0 BCAERO CCCOCC(=O)N1CC[C@H]([NH3+])[C@H]1C ZINC000261528592 135154609 /nfs/dbraw/zinc/15/46/09/135154609.db2.gz MLWINMIJPSGLQN-BDAKNGLRSA-N 1 0 200.282 0.361 10 0 BCAERO C[C@H]([NH3+])CC(=O)NC[C@@H]1CCC[C@H]1O ZINC000251447018 388344641 /nfs/dbraw/zinc/34/46/41/388344641.db2.gz BICJFONFJVFCTF-XHNCKOQMSA-N 1 0 200.282 0.001 10 0 BCAERO C[C@H]([NH3+])CC(=O)NC[C@H]1CCC[C@H]1O ZINC000251447012 388344644 /nfs/dbraw/zinc/34/46/44/388344644.db2.gz BICJFONFJVFCTF-DJLDLDEBSA-N 1 0 200.282 0.001 10 0 BCAERO CCC[C@@H]1C[C@H]1NC(=O)[C@@H]([NH3+])COC ZINC000233303258 388345670 /nfs/dbraw/zinc/34/56/70/388345670.db2.gz MSXBNQGFQQEGHM-HRDYMLBCSA-N 1 0 200.282 0.265 10 0 BCAERO O=C(NC[C@H]1COCC[NH2+]1)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000300046216 388346317 /nfs/dbraw/zinc/34/63/17/388346317.db2.gz ROLPJHAXTXLTNC-VLEAKVRGSA-N 1 0 224.304 0.137 10 0 BCAERO C[NH2+][C@@H](C)CNS(=O)(=O)CC1CCCC1 ZINC000261532354 135162660 /nfs/dbraw/zinc/16/26/60/135162660.db2.gz AHGQOCIDOULLPY-VIFPVBQESA-N 1 0 234.365 0.704 10 0 BCAERO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H]1CCC[C@H](O)C1 ZINC000646417990 388354019 /nfs/dbraw/zinc/35/40/19/388354019.db2.gz SFNXOWAMZCVLNE-RHYQMDGZSA-N 1 0 240.347 0.794 10 0 BCAERO CO[C@H]1CCN(C(=O)[C@H]2CCC[NH2+][C@@H]2C)C1 ZINC000234804287 388360536 /nfs/dbraw/zinc/36/05/36/388360536.db2.gz GJYSLXXETYZDND-VWYCJHECSA-N 1 0 226.320 0.622 10 0 BCAERO COc1cc(N2C[C@H]([NH3+])[C@@H](C)C2)ncn1 ZINC000234913223 388363072 /nfs/dbraw/zinc/36/30/72/388363072.db2.gz GHCMSRRUOFHILM-YUMQZZPRSA-N 1 0 208.265 0.269 10 0 BCAERO OC[C@H]1C[N@H+](CC[C@@H]2CCOC2)CCO1 ZINC000400662957 388373866 /nfs/dbraw/zinc/37/38/66/388373866.db2.gz XAMOFNAGOFOGGB-GHMZBOCLSA-N 1 0 215.293 0.106 10 0 BCAERO CCO[C@H](C)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000236908286 388385744 /nfs/dbraw/zinc/38/57/44/388385744.db2.gz CYEOEENQVCQVBS-RKDXNWHRSA-N 1 0 200.282 0.361 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N(C)C[C@@H]1CCOC1 ZINC000237036440 388388528 /nfs/dbraw/zinc/38/85/28/388388528.db2.gz UTYCGUAUZWYBTQ-UWVGGRQHSA-N 1 0 214.309 0.609 10 0 BCAERO CC(C)[C@@H]([NH3+])C(=O)N[C@H]1CCO[C@@H]1C ZINC000134254969 388397145 /nfs/dbraw/zinc/39/71/45/388397145.db2.gz LQWMHXNXIKRBBP-HRDYMLBCSA-N 1 0 200.282 0.263 10 0 BCAERO C[C@H](C(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]21)C1CC1 ZINC000572953079 388398410 /nfs/dbraw/zinc/39/84/10/388398410.db2.gz ZONFLTKNWHDVBP-INTQDDNPSA-N 1 0 224.304 0.232 10 0 BCAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]CC1(O)CCCC1 ZINC000335144435 388449054 /nfs/dbraw/zinc/44/90/54/388449054.db2.gz HBIDEAUZMPNLPC-UWVGGRQHSA-N 1 0 226.320 0.548 10 0 BCAERO COC[C@H](C)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000261537001 135173253 /nfs/dbraw/zinc/17/32/53/135173253.db2.gz UMVSUHOZAVWFIU-VIFPVBQESA-N 1 0 214.309 0.479 10 0 BCAERO C[C@@H]1CC[C@@H]([NH3+])[C@H](SCC(N)=O)C1 ZINC000300868187 388460033 /nfs/dbraw/zinc/46/00/33/388460033.db2.gz WRWKHUIAXCMBTF-BWZBUEFSSA-N 1 0 202.323 0.721 10 0 BCAERO COc1cccnc1NCCOCCC[NH3+] ZINC000630537403 388461672 /nfs/dbraw/zinc/46/16/72/388461672.db2.gz NIUQBKNAVCBENC-UHFFFAOYSA-N 1 0 225.292 0.868 10 0 BCAERO CC(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000176875105 388464999 /nfs/dbraw/zinc/46/49/99/388464999.db2.gz MQDQVFOXGQTTGZ-SNVBAGLBSA-N 1 0 228.336 0.558 10 0 BCAERO CC[C@H](C(=O)OC)N1CCC[C@H](NC(C)=O)C1 ZINC000193882539 388468579 /nfs/dbraw/zinc/46/85/79/388468579.db2.gz KUEUZODQCWZOCA-WDEREUQCSA-N 1 0 242.319 0.539 10 0 BCAERO CC(C)(O)C[N@@H+]1CCC[C@@H](CC(N)=O)C1 ZINC000175229705 388427835 /nfs/dbraw/zinc/42/78/35/388427835.db2.gz YYQVLESMDDNNIX-VIFPVBQESA-N 1 0 214.309 0.345 10 0 BCAERO CS(=O)(=O)c1cccnc1N[C@H]1CC[NH2+]C1 ZINC000166947747 388435049 /nfs/dbraw/zinc/43/50/49/388435049.db2.gz WXWWQUJUEXKYJA-QMMMGPOBSA-N 1 0 241.316 0.259 10 0 BCAERO CC(C)(O)C(C)(C)CN[C@H]1CC[NH2+]C1 ZINC000393613240 388435407 /nfs/dbraw/zinc/43/54/07/388435407.db2.gz DELPRWNGIHOWHI-VIFPVBQESA-N 1 0 200.326 0.735 10 0 BCAERO CCC[C@@H](C)NC(=O)[C@H]1NCCO[C@@H]1C ZINC000378713129 388485036 /nfs/dbraw/zinc/48/50/36/388485036.db2.gz VTGLYXAZCJDNTK-BBBLOLIVSA-N 1 0 214.309 0.668 10 0 BCAERO C[C@H]([NH2+]CCn1cncn1)[C@@]1(C)CCCO1 ZINC000340195643 388488637 /nfs/dbraw/zinc/48/86/37/388488637.db2.gz UWMHCCHEDQVGGJ-WDEREUQCSA-N 1 0 224.308 0.825 10 0 BCAERO C[C@@H](NC(=O)[C@H]1C[NH2+]CCOC1)c1ccccn1 ZINC000649277528 388500508 /nfs/dbraw/zinc/50/05/08/388500508.db2.gz BZKDWCYIBMWUQL-MNOVXSKESA-N 1 0 249.314 0.495 10 0 BCAERO CCOCC[N@@H+]1C[C@H](OC)C[C@@H]1CO ZINC000344670834 388508236 /nfs/dbraw/zinc/50/82/36/388508236.db2.gz DPHCDTMKYRYQLA-NXEZZACHSA-N 1 0 203.282 0.105 10 0 BCAERO CO[C@@H]1C[C@@H](CO)[N@H+](CCOC(C)C)C1 ZINC000344738793 388508680 /nfs/dbraw/zinc/50/86/80/388508680.db2.gz OWJCRFSDPZOLKO-WDEREUQCSA-N 1 0 217.309 0.493 10 0 BCAERO CO[C@@H]1C[C@H](CO)[N@H+](C[C@H]2CCCCO2)C1 ZINC000344741248 388509338 /nfs/dbraw/zinc/50/93/38/388509338.db2.gz RBVUJXRGNOPTBC-IJLUTSLNSA-N 1 0 229.320 0.637 10 0 BCAERO CO[C@@H]1C[C@H](CO)[N@H+](CCC[C@@H](C)O)C1 ZINC000344711579 388509443 /nfs/dbraw/zinc/50/94/43/388509443.db2.gz LQCCQRRQDWKBDK-GMTAPVOTSA-N 1 0 217.309 0.229 10 0 BCAERO CCOCC[C@H](O)C[NH2+][C@@H]1CCO[C@@H]1C ZINC000348184647 388525349 /nfs/dbraw/zinc/52/53/49/388525349.db2.gz PHMMAYJOQQDFOK-OUAUKWLOSA-N 1 0 217.309 0.541 10 0 BCAERO C[C@H]([NH2+]C[C@H]1CN(C)CCO1)[C@H]1CCCCO1 ZINC000379163934 388592838 /nfs/dbraw/zinc/59/28/38/388592838.db2.gz ICSCPEQOCRAGFY-RWMBFGLXSA-N 1 0 242.363 0.864 10 0 BCAERO C[NH2+][C@@H](C)C(=O)N1CCCC[C@H]1C(=O)OC ZINC000054074929 388593148 /nfs/dbraw/zinc/59/31/48/388593148.db2.gz XWNLVZGQIOQZTH-IUCAKERBSA-N 1 0 228.292 0.148 10 0 BCAERO CC[C@](C)(C[NH3+])[C@H]1CCS(=O)(=O)C1 ZINC000054637139 388594608 /nfs/dbraw/zinc/59/46/08/388594608.db2.gz NOOHQFKGYIVHTO-DTWKUNHWSA-N 1 0 205.323 0.796 10 0 BCAERO c1cnc2c(c1)nccc2NC[C@@H]1COCC[NH2+]1 ZINC000379229511 388599895 /nfs/dbraw/zinc/59/98/95/388599895.db2.gz YRPLCAPZXWMVEK-SNVBAGLBSA-N 1 0 244.298 0.452 10 0 BCAERO COC[C@H]([NH3+])C(=O)N1C[C@H](C)[C@H](C)C1 ZINC000220191027 388602247 /nfs/dbraw/zinc/60/22/47/388602247.db2.gz NEBNZEMLPJQNMP-YIZRAAEISA-N 1 0 200.282 0.075 10 0 BCAERO CC(C)(C)OC(=O)N1CC[C@@H](CO)[C@@H]([NH3+])C1 ZINC000035080288 388611260 /nfs/dbraw/zinc/61/12/60/388611260.db2.gz LRCPRHFAAYJMHG-IUCAKERBSA-N 1 0 230.308 0.563 10 0 BCAERO [NH3+]C[C@H](CO)Cc1ccc2c(c1)CCO2 ZINC000037362305 388614859 /nfs/dbraw/zinc/61/48/59/388614859.db2.gz QNISZMPVDUGSCG-SNVBAGLBSA-N 1 0 207.273 0.731 10 0 BCAERO [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CCn1cncn1 ZINC000362975982 388563145 /nfs/dbraw/zinc/56/31/45/388563145.db2.gz IGJKCYPZKLHJLN-WDEREUQCSA-N 1 0 223.324 0.385 10 0 BCAERO CC[C@@](C)(O)C[N@H+]1C[C@](C)(CO)[C@](C)(CO)C1 ZINC000528750376 388565846 /nfs/dbraw/zinc/56/58/46/388565846.db2.gz DCQAPYWHIJBLQE-FRRDWIJNSA-N 1 0 245.363 0.460 10 0 BCAERO Cc1ccc(CNC(=O)[C@H]2C[NH2+]CCOC2)cn1 ZINC000649296456 388575729 /nfs/dbraw/zinc/57/57/29/388575729.db2.gz HAMOLPZJITYHRW-LBPRGKRZSA-N 1 0 249.314 0.242 10 0 BCAERO CC[N@@H+]1CCC[C@H]1CN(C)[C@H](C)C(=O)OC ZINC000245428092 388577696 /nfs/dbraw/zinc/57/76/96/388577696.db2.gz MKVOHJOMHWEDQK-MNOVXSKESA-N 1 0 228.336 0.964 10 0 BCAERO CC[N@@H+]1CCC[C@H]1CN(C)[C@H]1CCN(C)C1=O ZINC000245480973 388583526 /nfs/dbraw/zinc/58/35/26/388583526.db2.gz XUUPFJRCWXLHPM-RYUDHWBXSA-N 1 0 239.363 0.633 10 0 BCAERO C[C@@H]1CN(c2ccc(C=O)c(=O)[nH]2)C[C@H](C)[NH2+]1 ZINC000222198237 388584230 /nfs/dbraw/zinc/58/42/30/388584230.db2.gz KGVUTZRLGMPSCC-DTORHVGOSA-N 1 0 235.287 0.374 10 0 BCAERO COCCN1CC[N@H+](C[C@H](C)OC)C[C@H]1C ZINC000248412917 388678815 /nfs/dbraw/zinc/67/88/15/388678815.db2.gz FTJGWELHZFTSKZ-NEPJUHHUSA-N 1 0 230.352 0.674 10 0 BCAERO CC[C@@H]1CN(C[C@@H](C)OC)CC[N@@H+]1C[C@H](C)O ZINC000248406464 388678935 /nfs/dbraw/zinc/67/89/35/388678935.db2.gz BCOKGBRWDQQTDF-YNEHKIRRSA-N 1 0 244.379 0.798 10 0 BCAERO CO[C@H](C)C[N@@H+]1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000248449139 388680074 /nfs/dbraw/zinc/68/00/74/388680074.db2.gz XQMZUBXAGHYWRN-GRYCIOLGSA-N 1 0 230.352 0.408 10 0 BCAERO [NH3+][C@@H]1CC[C@@H]2CN(CC(=O)NCC3CC3)C[C@@H]12 ZINC000261551852 388643587 /nfs/dbraw/zinc/64/35/87/388643587.db2.gz MKVINDAILPDHFN-IJLUTSLNSA-N 1 0 237.347 0.182 10 0 BCAERO CC(C)CC(=O)N1CC[N@H+](C[C@H](C)O)[C@H](C)C1 ZINC000246883639 388653592 /nfs/dbraw/zinc/65/35/92/388653592.db2.gz WQMVNPSUGSXECR-NEPJUHHUSA-N 1 0 242.363 0.946 10 0 BCAERO C[C@H](O)C[C@@H]1CCCC[N@@H+]1C[C@@H]1CNC(=O)O1 ZINC000123855096 388658120 /nfs/dbraw/zinc/65/81/20/388658120.db2.gz LEEAXZLFXDSIET-DCAQKATOSA-N 1 0 242.319 0.720 10 0 BCAERO COC[C@H](C)N1CC[N@H+](C[C@H](C)O)[C@H](C)C1 ZINC000247340992 388663111 /nfs/dbraw/zinc/66/31/11/388663111.db2.gz GBXFRAUTIHVYKS-WOPDTQHZSA-N 1 0 230.352 0.408 10 0 BCAERO COCCN1CC[N@@H+]([C@H](C)COC)C[C@@H]1C ZINC000247470890 388663610 /nfs/dbraw/zinc/66/36/10/388663610.db2.gz JFDLKMJITUNKMJ-NWDGAFQWSA-N 1 0 230.352 0.674 10 0 BCAERO COCCN1CC[N@@H+]([C@H](C)COC)C[C@H]1C ZINC000247470892 388663779 /nfs/dbraw/zinc/66/37/79/388663779.db2.gz JFDLKMJITUNKMJ-VXGBXAGGSA-N 1 0 230.352 0.674 10 0 BCAERO CC(C)(C)OC(=O)N[C@@H](N)C(C)(C)C[NH3+] ZINC000064033595 388664568 /nfs/dbraw/zinc/66/45/68/388664568.db2.gz HXVYTJHVDCUEED-SSDOTTSWSA-N 1 0 217.313 0.781 10 0 BCAERO O=C(N[C@H]1c2ccccc2C[C@H]1O)[C@@H]1CC[NH2+]C1 ZINC000227323667 388748124 /nfs/dbraw/zinc/74/81/24/388748124.db2.gz DDNDZBQSJVTGKO-RTXFEEFZSA-N 1 0 246.310 0.370 10 0 BCAERO C[C@H](NC(=O)[C@@]1(C)CCC[NH2+]1)c1nc[nH]n1 ZINC000227433718 388750919 /nfs/dbraw/zinc/75/09/19/388750919.db2.gz OJLXSKQUCPEQAM-OIBJUYFYSA-N 1 0 223.280 0.124 10 0 BCAERO C[N@@H+]1CC[C@H](CSC[C@@H](O)CO)C1 ZINC000248893260 388699006 /nfs/dbraw/zinc/69/90/06/388699006.db2.gz IURJGRZTVXCFOC-IUCAKERBSA-N 1 0 205.323 0.025 10 0 BCAERO C[N@@H+]1CC[C@@H](CSC[C@@H](O)CO)C1 ZINC000248893257 388699016 /nfs/dbraw/zinc/69/90/16/388699016.db2.gz IURJGRZTVXCFOC-BDAKNGLRSA-N 1 0 205.323 0.025 10 0 BCAERO C[NH2+]C[C@H]1C[C@@H](F)CN1c1nnc(C)o1 ZINC000396472086 388702646 /nfs/dbraw/zinc/70/26/46/388702646.db2.gz PYPUGRMLELSGDF-HTQZYQBOSA-N 1 0 214.244 0.514 10 0 BCAERO Cc1nc(CN2C[C@H](F)C[C@@H]2C[NH3+])no1 ZINC000396421567 388702651 /nfs/dbraw/zinc/70/26/51/388702651.db2.gz HNEACYOWCCVBOW-HTQZYQBOSA-N 1 0 214.244 0.249 10 0 BCAERO CN1CCN(C)[C@@H](C[NH2+][C@@H]2CCCC[C@H]2O)C1 ZINC000226230342 388711060 /nfs/dbraw/zinc/71/10/60/388711060.db2.gz FIFIRSOZDVKCTL-YNEHKIRRSA-N 1 0 241.379 0.125 10 0 BCAERO C[C@@H]1[C@H](C)SCCN1C(=O)[C@H]1CC[NH2+]C1 ZINC000226361193 388716253 /nfs/dbraw/zinc/71/62/53/388716253.db2.gz CRIUFEIQKIUIED-UTLUCORTSA-N 1 0 228.361 0.948 10 0 BCAERO CC(C)CNC(=O)[C@@H](C)[NH2+][C@@H]1CCO[C@@H]1C ZINC000226437497 388718970 /nfs/dbraw/zinc/71/89/70/388718970.db2.gz JHAAMIHBLWWBNN-GMTAPVOTSA-N 1 0 228.336 0.914 10 0 BCAERO C[C@H]1OCC[C@H]1[NH2+]C[C@@H](O)Cn1cccn1 ZINC000226440629 388719733 /nfs/dbraw/zinc/71/97/33/388719733.db2.gz WAGMVMRPEDBOFG-GMTAPVOTSA-N 1 0 225.292 0.011 10 0 BCAERO CSC[C@H](O)C[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000249449443 388721269 /nfs/dbraw/zinc/72/12/69/388721269.db2.gz LVMFSACDTMRGIU-NXEZZACHSA-N 1 0 246.376 0.263 10 0 BCAERO CC(C)OC(=O)NC[C@@H]1CN(C)CCO1 ZINC000127540206 388725012 /nfs/dbraw/zinc/72/50/12/388725012.db2.gz YWNFZSHHIJQKNV-SECBINFHSA-N 1 0 216.281 0.452 10 0 BCAERO C[C@@H]1C[N@H+](C[C@@H](O)COC(C)(C)C)CC[C@H]1O ZINC000249556166 388727131 /nfs/dbraw/zinc/72/71/31/388727131.db2.gz JUYLMJABTITPEN-IJLUTSLNSA-N 1 0 245.363 0.865 10 0 BCAERO O[C@H](C1=COCC1)[C@@H]1C[NH2+]CCS1 ZINC000575458848 388803553 /nfs/dbraw/zinc/80/35/53/388803553.db2.gz QYJWHCNNWRRMDF-DTWKUNHWSA-N 1 0 201.291 0.357 10 0 BCAERO Cc1cc(-n2cc(CCC[NH3+])cn2)ncn1 ZINC000054680962 177697844 /nfs/dbraw/zinc/69/78/44/177697844.db2.gz GXCDFXHCCLLHSZ-UHFFFAOYSA-N 1 0 217.276 0.862 10 0 BCAERO O=C(NCc1ccccc1)[C@H]1C[NH2+]CCOC1 ZINC000575461684 388817782 /nfs/dbraw/zinc/81/77/82/388817782.db2.gz AJWUPJMRRQJKMH-LBPRGKRZSA-N 1 0 234.299 0.539 10 0 BCAERO C(NC1=[NH+]CCN1)C1SCCS1 ZINC000575465261 388835585 /nfs/dbraw/zinc/83/55/85/388835585.db2.gz PSSJVVXFGXHDFL-UHFFFAOYSA-N 1 0 203.336 0.341 10 0 BCAERO C[S@](=O)N1C[C@H](C[NH3+])C2(CCC2)C1 ZINC000575465860 388836299 /nfs/dbraw/zinc/83/62/99/388836299.db2.gz ZUAFWKCYKMWHIU-SDBXPKJASA-N 1 0 202.323 0.341 10 0 BCAERO O[C@@H](c1cscn1)[C@@H]1CSCC[NH2+]1 ZINC000575468394 388840730 /nfs/dbraw/zinc/84/07/30/388840730.db2.gz OYMLJFJCDCOWNB-POYBYMJQSA-N 1 0 216.331 0.882 10 0 BCAERO O=S1(=O)CCC[C@]2(CC[NH2+]C2)CC1 ZINC000575486523 388871847 /nfs/dbraw/zinc/87/18/47/388871847.db2.gz HZSWOJOPNBASPZ-VIFPVBQESA-N 1 0 203.307 0.565 10 0 BCAERO C[C@@H]1C[NH+]=C(NCC2SCCS2)N1 ZINC000575491310 388916857 /nfs/dbraw/zinc/91/68/57/388916857.db2.gz HISUTZYVUCILPU-ZCFIWIBFSA-N 1 0 217.363 0.730 10 0 BCAERO C[C@@H]1C[N@@H+](CC(N)=S)C[C@H](C)[C@H]1O ZINC000575491258 388917201 /nfs/dbraw/zinc/91/72/01/388917201.db2.gz UIBFHOLUDSWING-QMSLJYSESA-N 1 0 202.323 0.221 10 0 BCAERO C[NH2+]C(C)(C)C(=O)Nc1csnn1 ZINC000575492287 388933362 /nfs/dbraw/zinc/93/33/62/388933362.db2.gz ACWRQQDWBRMJSE-UHFFFAOYSA-N 1 0 200.267 0.475 10 0 BCAERO COCC[NH2+]CCNc1ncccc1F ZINC000215505841 135462277 /nfs/dbraw/zinc/46/22/77/135462277.db2.gz CATGFOHAJPSQCD-UHFFFAOYSA-N 1 0 213.256 0.869 10 0 BCAERO CC(C)(C[NH3+])C(=O)Nc1csnn1 ZINC000575493123 388945191 /nfs/dbraw/zinc/94/51/91/388945191.db2.gz PGDOYKKWFBLYGF-UHFFFAOYSA-N 1 0 200.267 0.462 10 0 BCAERO COC(=O)CCCN1CC[C@H]2OCC[NH2+][C@H]2C1 ZINC000404187315 388950082 /nfs/dbraw/zinc/95/00/82/388950082.db2.gz GLFGLLCKCHZPOR-WDEREUQCSA-N 1 0 242.319 0.002 10 0 BCAERO CN1c2ccc([C@H](O)C[NH3+])cc2CCC1=O ZINC000049817875 132300429 /nfs/dbraw/zinc/30/04/29/132300429.db2.gz HVKBWDZCRIUKPW-LLVKDONJSA-N 1 0 220.272 0.588 10 0 BCAERO C[C@H]1COCCN1c1nccnc1C[NH3+] ZINC000054377218 132364390 /nfs/dbraw/zinc/36/43/90/132364390.db2.gz YLVBBPIWGBIRTO-QMMMGPOBSA-N 1 0 208.265 0.160 10 0 BCAERO C[C@@H](C(=O)NC(C)(C)C)[N@@H+]1C[C@H](C)C[C@@H](O)C1 ZINC000401646365 533234634 /nfs/dbraw/zinc/23/46/34/533234634.db2.gz HZXXFVDBRDVREM-OUAUKWLOSA-N 1 0 242.363 0.992 10 0 BCAERO CCC(=O)N1CCN(C(C)(C)C[NH3+])CC1 ZINC000082427346 168220144 /nfs/dbraw/zinc/22/01/44/168220144.db2.gz YBEDZGYYWRZSNU-UHFFFAOYSA-N 1 0 213.325 0.278 10 0 BCAERO COc1ccnc(N2CCCC[C@H]2C[NH3+])n1 ZINC000044559731 132225083 /nfs/dbraw/zinc/22/50/83/132225083.db2.gz ZKSGCFRKDMZWNL-VIFPVBQESA-N 1 0 222.292 0.803 10 0 BCAERO COc1ccnc(N2CCCC[C@@H]2C[NH3+])n1 ZINC000044559729 132225282 /nfs/dbraw/zinc/22/52/82/132225282.db2.gz ZKSGCFRKDMZWNL-SECBINFHSA-N 1 0 222.292 0.803 10 0 BCAERO Cc1cnc(C)c(N2CC[NH2+][C@@H](C)C2)n1 ZINC000052783461 132229142 /nfs/dbraw/zinc/22/91/42/132229142.db2.gz WTPBDWZDMJMYCC-VIFPVBQESA-N 1 0 206.293 0.892 10 0 BCAERO Cc1cc(N2CC[NH2+]C[C@H]2C)nc(C)n1 ZINC000054374926 132233879 /nfs/dbraw/zinc/23/38/79/132233879.db2.gz HHTNCYOHXRGKCJ-SECBINFHSA-N 1 0 206.293 0.892 10 0 BCAERO O=C1Nc2ccc(O)cc2N2CC[NH2+]C[C@@H]12 ZINC000026157720 132292098 /nfs/dbraw/zinc/29/20/98/132292098.db2.gz PSAQYFDWGPHSKU-JTQLQIEISA-N 1 0 219.244 0.123 10 0 BCAERO Cc1c[nH+]ccc1N1CCC[C@](O)(C(N)=O)C1 ZINC000310080649 132294526 /nfs/dbraw/zinc/29/45/26/132294526.db2.gz JBEONWZBWUBVGR-GFCCVEGCSA-N 1 0 235.287 0.207 10 0 BCAERO COCc1cc(NN)[nH+]c(N2CCCCC2)n1 ZINC000051700607 132300327 /nfs/dbraw/zinc/30/03/27/132300327.db2.gz ONTSWQTVWVCENM-UHFFFAOYSA-N 1 0 237.307 0.899 10 0 BCAERO CN(C)c1nc2c(c(N3CC[NH2+]CC3)n1)CCC2 ZINC000057328774 132300985 /nfs/dbraw/zinc/30/09/85/132300985.db2.gz QJJJCHCXTWUGHH-UHFFFAOYSA-N 1 0 247.346 0.441 10 0 BCAERO O=S1(=O)C[C@@H]2C[NH2+]CCN2c2ccccc21 ZINC000073734039 132303265 /nfs/dbraw/zinc/30/32/65/132303265.db2.gz QGOABLUVRBHPFV-VIFPVBQESA-N 1 0 238.312 0.252 10 0 BCAERO Cc1cnc(N2C[C@@H](C)[NH2+]C[C@H]2C)nc1 ZINC000250882802 132303584 /nfs/dbraw/zinc/30/35/84/132303584.db2.gz WOJPFNJIPNVCMQ-NXEZZACHSA-N 1 0 206.293 0.972 10 0 BCAERO Cc1cccc(N2CCN(C[C@H](O)C[NH3+])CC2)c1 ZINC000019263250 132324424 /nfs/dbraw/zinc/32/44/24/132324424.db2.gz NZLFMCNWATUJMA-CQSZACIVSA-N 1 0 249.358 0.437 10 0 BCAERO CC[C@H](C[NH3+])N1CCN(c2ccccn2)CC1 ZINC000019399798 132324529 /nfs/dbraw/zinc/32/45/29/132324529.db2.gz ZSRZUDHORYDHTA-GFCCVEGCSA-N 1 0 234.347 0.941 10 0 BCAERO [NH3+]C[C@H](O)CN1CCCc2ccccc21 ZINC000019685121 132325890 /nfs/dbraw/zinc/32/58/90/132325890.db2.gz NBSFAJSHFMEELG-NSHDSACASA-N 1 0 206.289 0.759 10 0 BCAERO C[C@H]([NH3+])c1cc(F)ccc1N1CCNC(=O)C1 ZINC000019872628 132328509 /nfs/dbraw/zinc/32/85/09/132328509.db2.gz BIGAZVJTCKEFRU-QMMMGPOBSA-N 1 0 237.278 0.782 10 0 BCAERO CNC(=O)c1ccc(N2CC[NH2+]CC2)cc1 ZINC000020221360 132330379 /nfs/dbraw/zinc/33/03/79/132330379.db2.gz XEOQESAWYCGQKR-UHFFFAOYSA-N 1 0 219.288 0.456 10 0 BCAERO Nc1cccc(N2CC[NH+](CCO)CC2)c1 ZINC000020265172 132330467 /nfs/dbraw/zinc/33/04/67/132330467.db2.gz SAJBIKLAWLPXKD-UHFFFAOYSA-N 1 0 221.304 0.383 10 0 BCAERO Cc1cc(CC[NH3+])nc(N2CCN(C)CC2)n1 ZINC000020388613 132331519 /nfs/dbraw/zinc/33/15/19/132331519.db2.gz PZKQTLURUTUMGG-UHFFFAOYSA-N 1 0 235.335 0.038 10 0 BCAERO NC(=O)[C@@H]1CCCN(c2cc[nH+]cc2N)C1 ZINC000020370407 132331558 /nfs/dbraw/zinc/33/15/58/132331558.db2.gz CMVBGRSUDRXRPB-MRVPVSSYSA-N 1 0 220.276 0.366 10 0 BCAERO Nc1c[nH+]ccc1N1CCC[C@H](CO)C1 ZINC000036227038 132341062 /nfs/dbraw/zinc/34/10/62/132341062.db2.gz KEODADOZZFHTIC-VIFPVBQESA-N 1 0 207.277 0.873 10 0 BCAERO Cc1cc(N2CCC(C(N)=O)CC2)[nH+]cc1N ZINC000036245026 132341361 /nfs/dbraw/zinc/34/13/61/132341361.db2.gz DBVSSSBBSHIHOM-UHFFFAOYSA-N 1 0 234.303 0.674 10 0 BCAERO NC(=O)c1ccnc(N2CCC([NH3+])CC2)c1 ZINC000036754963 132342509 /nfs/dbraw/zinc/34/25/09/132342509.db2.gz YEIKWBJDSCPUJT-UHFFFAOYSA-N 1 0 220.276 0.108 10 0 BCAERO [NH3+]Cc1cccc(N2CCS(=O)(=O)CC2)c1 ZINC000036948309 132343036 /nfs/dbraw/zinc/34/30/36/132343036.db2.gz XTAWNTLBXIVXGM-UHFFFAOYSA-N 1 0 240.328 0.380 10 0 BCAERO Cc1cccc(N2CCN(CC[NH3+])CC2)n1 ZINC000037670386 132345051 /nfs/dbraw/zinc/34/50/51/132345051.db2.gz JWFYLRILNVZQJU-UHFFFAOYSA-N 1 0 220.320 0.471 10 0 BCAERO O=C1N[C@@H]2CC[NH2+]CCN2c2ccccc21 ZINC000038212827 132346015 /nfs/dbraw/zinc/34/60/15/132346015.db2.gz OCAKADOGXISKBY-NSHDSACASA-N 1 0 217.272 0.556 10 0 BCAERO Cc1ccc2c(c1)N1CC[NH2+]C[C@@H]1NC2=O ZINC000038276567 132346022 /nfs/dbraw/zinc/34/60/22/132346022.db2.gz NJFUCAPBXYJVNU-LLVKDONJSA-N 1 0 217.272 0.474 10 0 BCAERO Cc1cnc(C)c(N2CCO[C@@H](C[NH3+])C2)n1 ZINC000041059075 132349434 /nfs/dbraw/zinc/34/94/34/132349434.db2.gz LFYBUAYMTHGJML-JTQLQIEISA-N 1 0 222.292 0.257 10 0 BCAERO Cc1ccc(N2CCO[C@H](C[NH3+])C2)nc1 ZINC000041059062 132349602 /nfs/dbraw/zinc/34/96/02/132349602.db2.gz ILQLGQOCGODKII-SNVBAGLBSA-N 1 0 207.277 0.554 10 0 BCAERO Cc1cc(C)nc(N2CCO[C@H](C[NH3+])C2)n1 ZINC000041059078 132349607 /nfs/dbraw/zinc/34/96/07/132349607.db2.gz HNEZITKHOARYEX-SNVBAGLBSA-N 1 0 222.292 0.257 10 0 BCAERO CNC(=O)[C@H]1CCCCN1c1ccc(C[NH3+])cn1 ZINC000042408005 132351382 /nfs/dbraw/zinc/35/13/82/132351382.db2.gz PHWXLJMWEOIOHM-LLVKDONJSA-N 1 0 248.330 0.645 10 0 BCAERO CNC(=O)[C@H]1CCCCN1c1cc[nH+]cc1N ZINC000042420750 132351482 /nfs/dbraw/zinc/35/14/82/132351482.db2.gz KMNIASVNTVMIBJ-LLVKDONJSA-N 1 0 234.303 0.769 10 0 BCAERO C[C@@H]1CC[C@@H](C(N)=O)CN1c1cc(C[NH3+])ccn1 ZINC000042427004 132351723 /nfs/dbraw/zinc/35/17/23/132351723.db2.gz ZMAVOUGRBNOHDJ-MWLCHTKSSA-N 1 0 248.330 0.631 10 0 BCAERO C[C@@H]1CC[C@H](C(N)=O)CN1c1cc(C[NH3+])ccn1 ZINC000042427002 132351816 /nfs/dbraw/zinc/35/18/16/132351816.db2.gz ZMAVOUGRBNOHDJ-KOLCDFICSA-N 1 0 248.330 0.631 10 0 BCAERO C[C@@H]1CC[C@@H](C(N)=O)CN1c1ncccc1C[NH3+] ZINC000042427012 132352015 /nfs/dbraw/zinc/35/20/15/132352015.db2.gz ZJONQRHINYESPI-MWLCHTKSSA-N 1 0 248.330 0.631 10 0 BCAERO C[C@H]1CC[C@H](C(N)=O)CN1c1cc[nH+]cc1N ZINC000042427639 132352094 /nfs/dbraw/zinc/35/20/94/132352094.db2.gz KLGXEGGPFYUABJ-IUCAKERBSA-N 1 0 234.303 0.754 10 0 BCAERO C[NH2+]CCN1CC(=O)Nc2ccccc21 ZINC000043498329 132353320 /nfs/dbraw/zinc/35/33/20/132353320.db2.gz OUOCLZHNBXEKKL-UHFFFAOYSA-N 1 0 205.261 0.665 10 0 BCAERO C[NH2+][C@@H](C)CN1CCN(c2ccccn2)CC1 ZINC000043817354 132353765 /nfs/dbraw/zinc/35/37/65/132353765.db2.gz GMIPZRQEQZMDAS-LBPRGKRZSA-N 1 0 234.347 0.812 10 0 BCAERO C[NH2+]Cc1ccc(N2CCOC[C@H]2C)nn1 ZINC000051444141 132360919 /nfs/dbraw/zinc/36/09/19/132360919.db2.gz FLMQZXMZJITKKC-SECBINFHSA-N 1 0 222.292 0.421 10 0 BCAERO CC[C@@H](C[NH2+]C)N1CCN(c2ncccn2)CC1 ZINC000052418443 132362118 /nfs/dbraw/zinc/36/21/18/132362118.db2.gz DFELZXPTYMDFOV-LBPRGKRZSA-N 1 0 249.362 0.597 10 0 BCAERO COc1ccc2c(c1)N1CC[NH2+]C[C@@H]1C(=O)N2 ZINC000053151318 132362909 /nfs/dbraw/zinc/36/29/09/132362909.db2.gz MEKHKGAXGNFGDK-LLVKDONJSA-N 1 0 233.271 0.426 10 0 BCAERO Cc1cc(C)nc(N2CC[NH2+]C[C@H]2C)n1 ZINC000054374803 132364109 /nfs/dbraw/zinc/36/41/09/132364109.db2.gz JZCGVPVOVAKKIW-SNVBAGLBSA-N 1 0 206.293 0.892 10 0 BCAERO NC(=O)CC1CCN(c2nccnc2C[NH3+])CC1 ZINC000054377821 132364533 /nfs/dbraw/zinc/36/45/33/132364533.db2.gz GTZMOLQNRQVXQE-UHFFFAOYSA-N 1 0 249.318 0.027 10 0 BCAERO CCO[C@@H]1CCCN(c2nccnc2C(N)=[NH2+])C1 ZINC000054379958 132364726 /nfs/dbraw/zinc/36/47/26/132364726.db2.gz JICPQNYFRGWCMN-SECBINFHSA-N 1 0 249.318 0.766 10 0 BCAERO [NH3+]C[C@@H]1CN(c2ncccc2F)CCO1 ZINC000054700377 132364784 /nfs/dbraw/zinc/36/47/84/132364784.db2.gz LPMPMVMYQRHHTB-MRVPVSSYSA-N 1 0 211.240 0.385 10 0 BCAERO C[C@H]([NH3+])Cc1cnc(N2CCOCC2)nc1 ZINC000054857765 132365044 /nfs/dbraw/zinc/36/50/44/132365044.db2.gz KOQXSEBQWLINJM-VIFPVBQESA-N 1 0 222.292 0.203 10 0 BCAERO Cc1nccc(N2CCC[C@@H](C[NH3+])C2)n1 ZINC000054936836 132365181 /nfs/dbraw/zinc/36/51/81/132365181.db2.gz OGNVMOFHXZLPND-JTQLQIEISA-N 1 0 206.293 0.960 10 0 BCAERO Cc1cccnc1N1CCN([C@H](C)C[NH3+])CC1 ZINC000058022108 132367716 /nfs/dbraw/zinc/36/77/16/132367716.db2.gz WPHCDJQEZYQMEO-GFCCVEGCSA-N 1 0 234.347 0.859 10 0 BCAERO CC(C)Oc1ccnc(N2CC[NH2+]CC2)n1 ZINC000058825590 132368328 /nfs/dbraw/zinc/36/83/28/132368328.db2.gz HCPFWKOSDZIATF-UHFFFAOYSA-N 1 0 222.292 0.673 10 0 BCAERO [NH3+]Cc1cc(N2CCC[C@@H](O)C2)ccn1 ZINC000060382313 132368718 /nfs/dbraw/zinc/36/87/18/132368718.db2.gz LNAMTPRYUUXVMU-LLVKDONJSA-N 1 0 207.277 0.501 10 0 BCAERO CCO[C@@H](C[NH3+])CN1CC(=O)Nc2ccccc21 ZINC000062739444 132388747 /nfs/dbraw/zinc/38/87/47/132388747.db2.gz KQBJVHXNIQRUDZ-JTQLQIEISA-N 1 0 249.314 0.809 10 0 BCAERO C[NH2+]C[C@H]1CCCCN1c1ccc(C(N)=O)cn1 ZINC000063169574 132389812 /nfs/dbraw/zinc/38/98/12/132389812.db2.gz CBLZWPZMBQKJMO-LLVKDONJSA-N 1 0 248.330 0.759 10 0 BCAERO CC[C@H]1CCCN(C(=O)[C@@H]([NH3+])COC)CC1 ZINC000088004530 133544479 /nfs/dbraw/zinc/54/44/79/133544479.db2.gz XQWSDOJOTGBKNW-QWRGUYRKSA-N 1 0 228.336 0.999 10 0 BCAERO C[C@@H]([NH3+])c1ccc(NC(=O)[C@@H]2CNC(=O)C2)cc1 ZINC000335890329 133951640 /nfs/dbraw/zinc/95/16/40/133951640.db2.gz ZZSIEDZXBHPRQL-SCZZXKLOSA-N 1 0 247.298 0.781 10 0 BCAERO O=C(N1CCCOCC1)C12CCC[NH+]1CCC2 ZINC000336003286 134047936 /nfs/dbraw/zinc/04/79/36/134047936.db2.gz FRCGZAXJZXRZKD-UHFFFAOYSA-N 1 0 238.331 0.864 10 0 BCAERO Cn1ncc(NC[C@H]([NH3+])C2CC2)c(Cl)c1=O ZINC000167924910 134155113 /nfs/dbraw/zinc/15/51/13/134155113.db2.gz IOIBJATWEPQSSN-ZETCQYMHSA-N 1 0 242.710 0.583 10 0 BCAERO Cn1nccc1NC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000085012299 134221245 /nfs/dbraw/zinc/22/12/45/134221245.db2.gz TVOFGUXDVQYTAZ-SFYZADRCSA-N 1 0 208.265 0.486 10 0 BCAERO COc1ccnc(N2CC[C@H]([C@H](C)[NH3+])C2)n1 ZINC000168579530 134227045 /nfs/dbraw/zinc/22/70/45/134227045.db2.gz ZYBMMJYMVFIJPS-IUCAKERBSA-N 1 0 222.292 0.659 10 0 BCAERO CCNC(=O)CN(C)[C@@H]1CCC[NH2+]CC1 ZINC000168806256 134246990 /nfs/dbraw/zinc/24/69/90/134246990.db2.gz CZWJOTLUPVOIOL-SNVBAGLBSA-N 1 0 213.325 0.196 10 0 BCAERO C[C@H]1C[C@@H]1NC(=O)NC1CC[NH+](C)CC1 ZINC000170836898 134254193 /nfs/dbraw/zinc/25/41/93/134254193.db2.gz UQPMWXGAVMYALI-WPRPVWTQSA-N 1 0 211.309 0.788 10 0 BCAERO CCc1nnc(CN2CC[N@@H+]3CCC[C@@H]3C2)o1 ZINC000171642877 134257797 /nfs/dbraw/zinc/25/77/97/134257797.db2.gz CMUJKNZZUUCKFL-SNVBAGLBSA-N 1 0 236.319 0.912 10 0 BCAERO CC(C)NC(=O)CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171642384 134257839 /nfs/dbraw/zinc/25/78/39/134257839.db2.gz CEVQQVPSPZDUAJ-LLVKDONJSA-N 1 0 225.336 0.291 10 0 BCAERO Cc1cc(C(=O)N(C)C2C[NH2+]C2)c(C)o1 ZINC000085257503 134267370 /nfs/dbraw/zinc/26/73/70/134267370.db2.gz YBVZMSQTYOFBEQ-UHFFFAOYSA-N 1 0 208.261 0.940 10 0 BCAERO Cc1ccc(C(=O)N(C)C2C[NH2+]C2)c(C)n1 ZINC000085257684 134269132 /nfs/dbraw/zinc/26/91/32/134269132.db2.gz VOKXLZRGXQCXAV-UHFFFAOYSA-N 1 0 219.288 0.742 10 0 BCAERO CN(C(=O)Cc1ccncc1)C1C[NH2+]C1 ZINC000085257643 134269422 /nfs/dbraw/zinc/26/94/22/134269422.db2.gz ABAJRBZGRNTQDC-UHFFFAOYSA-N 1 0 205.261 0.054 10 0 BCAERO CN(C(=O)Cc1cccs1)C1C[NH2+]C1 ZINC000085257719 134269818 /nfs/dbraw/zinc/26/98/18/134269818.db2.gz SOVQHKCBUOZJFM-UHFFFAOYSA-N 1 0 210.302 0.721 10 0 BCAERO CCCc1nsc(N(C)C2C[NH2+]C2)n1 ZINC000085258411 134273890 /nfs/dbraw/zinc/27/38/90/134273890.db2.gz CLOZIOKBBYGYNW-UHFFFAOYSA-N 1 0 212.322 0.899 10 0 BCAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)COC ZINC000175044815 134284532 /nfs/dbraw/zinc/28/45/32/134284532.db2.gz NZKGOTNGGUSMKM-GHMZBOCLSA-N 1 0 226.320 0.718 10 0 BCAERO COC[C@H](C)[N@H+]1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000177266424 134296667 /nfs/dbraw/zinc/29/66/67/134296667.db2.gz BVCHINKVKLANAU-AVGNSLFASA-N 1 0 242.363 0.674 10 0 BCAERO C[C@H]1C[N@H+](CCCCO)C[C@@H]1N1CCOCC1 ZINC000177245696 134296843 /nfs/dbraw/zinc/29/68/43/134296843.db2.gz RLOIRPQEHPQMHF-STQMWFEESA-N 1 0 242.363 0.411 10 0 BCAERO CCOC(=O)CN(C)C[C@@H]1CCC[NH2+]C1 ZINC000220360985 134306123 /nfs/dbraw/zinc/30/61/23/134306123.db2.gz AXUBVYPFKVMMQD-SNVBAGLBSA-N 1 0 214.309 0.481 10 0 BCAERO CCO[C@@H]1C[C@H]1C(=O)N1CC[NH2+]C[C@@H]1C ZINC000178499597 134307628 /nfs/dbraw/zinc/30/76/28/134307628.db2.gz PQVUKFYUAFZFIG-IVZWLZJFSA-N 1 0 212.293 0.232 10 0 BCAERO O=C(NCCSC(F)(F)F)[C@@H]1CC[NH2+]C1 ZINC000178415200 134310144 /nfs/dbraw/zinc/31/01/44/134310144.db2.gz NDRIMBXHUCYDBB-ZCFIWIBFSA-N 1 0 242.266 0.965 10 0 BCAERO C[C@@H]([NH3+])CCNC(=O)CNC(=O)C(C)(C)C ZINC000178662115 134312344 /nfs/dbraw/zinc/31/23/44/134312344.db2.gz OINBHWLCMOFWBD-MRVPVSSYSA-N 1 0 229.324 0.002 10 0 BCAERO CCCSCC(=O)NCC[C@@H](C)[NH3+] ZINC000178648160 134312351 /nfs/dbraw/zinc/31/23/51/134312351.db2.gz GVAYCTBUWQOTQK-MRVPVSSYSA-N 1 0 204.339 0.983 10 0 BCAERO C[C@@H]([NH3+])CCNC(=O)CNC(=O)CC(C)(C)C ZINC000178660185 134312528 /nfs/dbraw/zinc/31/25/28/134312528.db2.gz IAPPWJBWVUHTEF-SECBINFHSA-N 1 0 243.351 0.392 10 0 BCAERO CC[NH2+]CCNC(=O)c1ncncc1Cl ZINC000178709906 134313323 /nfs/dbraw/zinc/31/33/23/134313323.db2.gz NMHOFLCRBYVDHS-UHFFFAOYSA-N 1 0 228.683 0.469 10 0 BCAERO COC[C@H](C)C(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000179073217 134314681 /nfs/dbraw/zinc/31/46/81/134314681.db2.gz BYIFCFFCKGARRA-IUCAKERBSA-N 1 0 200.282 0.089 10 0 BCAERO COC[C@H](C)C(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000178825340 134315740 /nfs/dbraw/zinc/31/57/40/134315740.db2.gz QEKACXMOSGNMQT-VHSXEESVSA-N 1 0 228.336 0.855 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)N(C)c1cnn(C)c1 ZINC000178812443 134315893 /nfs/dbraw/zinc/31/58/93/134315893.db2.gz XKUAYWJUYPRMFB-SECBINFHSA-N 1 0 210.281 0.510 10 0 BCAERO CC(=O)NCC1CC[NH+](CC(C)(C)O)CC1 ZINC000221043367 134317951 /nfs/dbraw/zinc/31/79/51/134317951.db2.gz UYSSKZNXFSMIOK-UHFFFAOYSA-N 1 0 228.336 0.605 10 0 BCAERO C[C@H](CS(C)(=O)=O)[NH2+][C@@H]1CC[C@@H](N(C)C)C1 ZINC000223822904 134343235 /nfs/dbraw/zinc/34/32/35/134343235.db2.gz HGVTUKHHZKGYHX-GMTAPVOTSA-N 1 0 248.392 0.492 10 0 BCAERO Cn1ccc(CC(=O)N2CC[N@@H+]3CCC[C@H]3C2)n1 ZINC000183431640 134351457 /nfs/dbraw/zinc/35/14/57/134351457.db2.gz SLNSLUBTLCIVLC-LBPRGKRZSA-N 1 0 248.330 0.269 10 0 BCAERO CCOC[C@H](O)CN1C[C@@H](C)[C@@H]([NH+](C)C)C1 ZINC000226091219 134358447 /nfs/dbraw/zinc/35/84/47/134358447.db2.gz PTNJZFGBTUDYBG-UTUOFQBUSA-N 1 0 230.352 0.266 10 0 BCAERO CCOC(=O)CCN1C[C@@H](C)[C@@H]([NH+](C)C)C1 ZINC000226081142 134358478 /nfs/dbraw/zinc/35/84/78/134358478.db2.gz ZJPJELAUWHHDSO-MNOVXSKESA-N 1 0 228.336 0.822 10 0 BCAERO C[C@H](O)[C@@H]1CC[N@@H+]([C@H]2CCCC[C@@H]2O)C1 ZINC000226251917 134361993 /nfs/dbraw/zinc/36/19/93/134361993.db2.gz BZPOVFMPYPPCKM-USZNOCQGSA-N 1 0 213.321 0.993 10 0 BCAERO CC(C)OC[C@H](O)C[NH2+][C@@H]1CCO[C@@H]1C ZINC000226436346 134363070 /nfs/dbraw/zinc/36/30/70/134363070.db2.gz HAEHJOHPHOJRSE-GMTAPVOTSA-N 1 0 217.309 0.539 10 0 BCAERO CC(C)(C)CC[N@@H+]1C[C@H](O)C[C@@H]1CO ZINC000185145715 134371854 /nfs/dbraw/zinc/37/18/54/134371854.db2.gz VWRSUCGOEXBJSR-NXEZZACHSA-N 1 0 201.310 0.850 10 0 BCAERO CC1CC[NH+](CCN2C[C@@H](O)C[C@@H]2CO)CC1 ZINC000185135625 134371996 /nfs/dbraw/zinc/37/19/96/134371996.db2.gz IHMSIWDTODTGTJ-OLZOCXBDSA-N 1 0 242.363 0.146 10 0 BCAERO COC[C@@H]1CC[N@H+](C[C@@H](C)C(=O)OC)C1 ZINC000227079223 134374243 /nfs/dbraw/zinc/37/42/43/134374243.db2.gz CEBYJICOETYOBX-NXEZZACHSA-N 1 0 215.293 0.764 10 0 BCAERO C[C@@H]1OCC[C@@]1(O)C[NH2+]C1CCC(O)CC1 ZINC000227126179 134376197 /nfs/dbraw/zinc/37/61/97/134376197.db2.gz QCBJDYYRLNDMRJ-WNYYMSAVSA-N 1 0 229.320 0.419 10 0 BCAERO CCOC(=O)[C@@H](C)[N@@H+]1CC[C@@H](CCO)C1 ZINC000227568893 134383084 /nfs/dbraw/zinc/38/30/84/134383084.db2.gz XVDPOOVSPZZZRE-ZJUUUORDSA-N 1 0 215.293 0.642 10 0 BCAERO C[C@H](CO)[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1O ZINC000228722709 134429885 /nfs/dbraw/zinc/42/98/85/134429885.db2.gz NODCZEGACAXGER-YTWAJWBKSA-N 1 0 201.310 0.896 10 0 BCAERO COCC[C@@H](C)[NH2+]C[C@H]1CN(C)CCO1 ZINC000085790213 134543981 /nfs/dbraw/zinc/54/39/81/134543981.db2.gz GWRMAOCZWNFTKS-MNOVXSKESA-N 1 0 216.325 0.332 10 0 BCAERO CO[C@@H](C[NH3+])CC(=O)N1CCS[C@@H](C)C1 ZINC000232125611 134548774 /nfs/dbraw/zinc/54/87/74/134548774.db2.gz HSAOLLSJYWOURL-DTWKUNHWSA-N 1 0 232.349 0.314 10 0 BCAERO CSCCC(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000235032457 134587258 /nfs/dbraw/zinc/58/72/58/134587258.db2.gz AVEBGVCMDFAUJK-HTQZYQBOSA-N 1 0 202.323 0.545 10 0 BCAERO Cc1cc(C)n(CC(=O)N2C[C@@H](C)[C@H]([NH3+])C2)n1 ZINC000235340114 134591978 /nfs/dbraw/zinc/59/19/78/134591978.db2.gz MBQSMUNBQVAHPJ-LDYMZIIASA-N 1 0 236.319 0.306 10 0 BCAERO CO[C@@H](C)C[N@@H+]1CCC[C@@H](n2cncn2)C1 ZINC000248408346 135007120 /nfs/dbraw/zinc/00/71/20/135007120.db2.gz CCCOUKQTKBHTIQ-WDEREUQCSA-N 1 0 224.308 0.950 10 0 BCAERO C[C@@H]1C(=O)NCCC[N@H+]1CC[C@H]1CCOC1=O ZINC000248945385 135027488 /nfs/dbraw/zinc/02/74/88/135027488.db2.gz CHCVKYWFAXQCQJ-ZJUUUORDSA-N 1 0 240.303 0.150 10 0 BCAERO CCNC(=O)CC[N@@H+]1CCC[C@@H](NC(C)=O)C1 ZINC000076709483 135048668 /nfs/dbraw/zinc/04/86/68/135048668.db2.gz UNILWFBFDOGPOC-LLVKDONJSA-N 1 0 241.335 0.113 10 0 BCAERO OCC[C@H]1CC[N@H+](C[C@H](O)C(F)(F)F)C1 ZINC000163699787 135055638 /nfs/dbraw/zinc/05/56/38/135055638.db2.gz PZHGJPWLKOBBHN-SFYZADRCSA-N 1 0 227.226 0.614 10 0 BCAERO CC(C)OC[C@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000251542074 135070164 /nfs/dbraw/zinc/07/01/64/135070164.db2.gz BNEFXHULDRRMET-IJLUTSLNSA-N 1 0 231.336 0.882 10 0 BCAERO C[C@@H]1CN(C[C@@H](O)C(F)(F)F)C[C@H]1[NH+](C)C ZINC000251659359 135073156 /nfs/dbraw/zinc/07/31/56/135073156.db2.gz GURMGGMHBJAJHR-IWSPIJDZSA-N 1 0 240.269 0.792 10 0 BCAERO C[C@@H]1CN(c2ccnc(N(C)C)n2)CC[C@H]1[NH3+] ZINC000251792371 135078037 /nfs/dbraw/zinc/07/80/37/135078037.db2.gz NLZILMQWGWJIAO-NXEZZACHSA-N 1 0 235.335 0.716 10 0 BCAERO COC[C@H]([NH3+])C(=O)N[C@@H]1CCC[C@H]1C ZINC000252215256 135087832 /nfs/dbraw/zinc/08/78/32/135087832.db2.gz XMCLIJLPKJPPOW-HRDYMLBCSA-N 1 0 200.282 0.265 10 0 BCAERO COC(=O)[C@H](C)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000086657857 135092125 /nfs/dbraw/zinc/09/21/25/135092125.db2.gz JHJUIXHMWJHVRS-WDEREUQCSA-N 1 0 226.320 0.718 10 0 BCAERO C[C@H](O)CCN(C)C(=O)[C@@H]1CCC[C@H]1[NH3+] ZINC000252710367 135099872 /nfs/dbraw/zinc/09/98/72/135099872.db2.gz GKRYLKVHXAJVTJ-IVZWLZJFSA-N 1 0 214.309 0.343 10 0 BCAERO COCCCCNC(=O)[C@H]1CC[C@@H](C[NH3+])O1 ZINC000087046973 135105014 /nfs/dbraw/zinc/10/50/14/135105014.db2.gz UJWSWVYMPZDKTR-VHSXEESVSA-N 1 0 230.308 0.036 10 0 BCAERO C[C@@H]1OCC[C@@H]1NC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000252738540 135105554 /nfs/dbraw/zinc/10/55/54/135105554.db2.gz DQDKYPDHLBEZBB-XKNYDFJKSA-N 1 0 212.293 0.407 10 0 BCAERO C[C@@H]1OCC[C@@H]1NC(=O)C[C@H]1CCC[NH2+]1 ZINC000252739256 135105932 /nfs/dbraw/zinc/10/59/32/135105932.db2.gz FOZRBRSWLPCKQQ-AEJSXWLSSA-N 1 0 212.293 0.422 10 0 BCAERO C1CC1[NH2+][C@H]1CCC[C@@H]1[C@H]1COCCN1 ZINC000261556527 135108601 /nfs/dbraw/zinc/10/86/01/135108601.db2.gz WADYHBJIOSGKEJ-SDDRHHMPSA-N 1 0 210.321 0.896 10 0 BCAERO COC(=O)[C@H](C)C[N@@H+]1CC[C@@H]([C@H](C)O)C1 ZINC000252772396 135108830 /nfs/dbraw/zinc/10/88/30/135108830.db2.gz MDMZUDUBHGCJBE-KXUCPTDWSA-N 1 0 215.293 0.498 10 0 BCAERO CC(C)CNC(=O)CN1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261543607 135108816 /nfs/dbraw/zinc/10/88/16/135108816.db2.gz DBXUXCPKPZNTFR-QJPTWQEYSA-N 1 0 239.363 0.428 10 0 BCAERO CC1(CNC(=O)[C@H]2CCCC[NH2+]2)COC1 ZINC000087198014 135112597 /nfs/dbraw/zinc/11/25/97/135112597.db2.gz KRCJUXUJRYFAKV-SECBINFHSA-N 1 0 212.293 0.281 10 0 BCAERO C[C@H]([NH3+])[C@H](C)C(=O)NC[C@@H]1CCC[C@H]1O ZINC000252856323 135113928 /nfs/dbraw/zinc/11/39/28/135113928.db2.gz KRXTWGGYVIGNLN-AATLWQCWSA-N 1 0 214.309 0.247 10 0 BCAERO CCC[C@H]([NH3+])C(=O)NC[C@]1(C)CCCO1 ZINC000087253835 135114668 /nfs/dbraw/zinc/11/46/68/135114668.db2.gz LGYBCWSYBQXTIZ-ONGXEEELSA-N 1 0 214.309 0.799 10 0 BCAERO C[C@@]1(CNC(=O)[C@H]2CCC[NH2+]C2)CCCO1 ZINC000087254140 135115941 /nfs/dbraw/zinc/11/59/41/135115941.db2.gz OUEZSVPKGYRTDS-JQWIXIFHSA-N 1 0 226.320 0.671 10 0 BCAERO CCC[C@H]([NH3+])C(=O)NC[C@@H](CC)CCO ZINC000087369906 135126563 /nfs/dbraw/zinc/12/65/63/135126563.db2.gz DDEVGDARSFSWHV-UWVGGRQHSA-N 1 0 216.325 0.639 10 0 BCAERO C[C@@H]([NH3+])CCNC(=O)C[C@@H]1CCCCO1 ZINC000087419943 135137173 /nfs/dbraw/zinc/13/71/73/135137173.db2.gz AVIDPXFACCFAHS-ZJUUUORDSA-N 1 0 214.309 0.799 10 0 BCAERO Cc1cccc(N2CC[C@@H](N3CC[NH2+]CC3)C2)n1 ZINC000257679666 135138930 /nfs/dbraw/zinc/13/89/30/135138930.db2.gz GQYOOUCZWPYJTH-CYBMUJFWSA-N 1 0 246.358 0.874 10 0 BCAERO COc1ccnc(N2CC[C@]3(CC[NH2+]C3)C2)n1 ZINC000257699798 135140170 /nfs/dbraw/zinc/14/01/70/135140170.db2.gz LAIWQCQUBHNSCB-LBPRGKRZSA-N 1 0 234.303 0.675 10 0 BCAERO C[C@H]1C(=O)N(C)CCN1C[C@@H]1CCC[NH2+]C1 ZINC000257800685 135141811 /nfs/dbraw/zinc/14/18/11/135141811.db2.gz YLVIGKLJGVMZHT-WDEREUQCSA-N 1 0 225.336 0.149 10 0 BCAERO C[C@@H]1[C@@H]([NH3+])CCN1S(=O)(=O)CC1CC1 ZINC000261527442 135152311 /nfs/dbraw/zinc/15/23/11/135152311.db2.gz BGWZHEKJWHLSEO-APPZFPTMSA-N 1 0 218.322 0.148 10 0 BCAERO CSC[C@H](C)C(=O)N1C[C@H]([NH3+])[C@@H](C)C1 ZINC000261528011 135152543 /nfs/dbraw/zinc/15/25/43/135152543.db2.gz IQIKPAQIRBXXND-CIUDSAMLSA-N 1 0 216.350 0.791 10 0 BCAERO [NH3+]CCN1CCC[C@@](O)(C(F)(F)F)C1 ZINC000261529135 135154702 /nfs/dbraw/zinc/15/47/02/135154702.db2.gz PHQDVXLAPUEKMI-ZETCQYMHSA-N 1 0 212.215 0.334 10 0 BCAERO CC(C)(O)C[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261529494 135155719 /nfs/dbraw/zinc/15/57/19/135155719.db2.gz SPICBADPRIVDQL-VIFPVBQESA-N 1 0 200.326 0.817 10 0 BCAERO CN(C(=O)CSC(F)(F)F)C1C[NH2+]C1 ZINC000261529888 135156803 /nfs/dbraw/zinc/15/68/03/135156803.db2.gz BQWLPKXXCVLRQH-UHFFFAOYSA-N 1 0 228.239 0.670 10 0 BCAERO CCOC(=O)CN1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261530120 135157267 /nfs/dbraw/zinc/15/72/67/135157267.db2.gz BZVSQTKIIMLLHC-SECBINFHSA-N 1 0 214.309 0.609 10 0 BCAERO C[C@H]1[C@H]([NH3+])CCN1S(=O)(=O)CCC1CC1 ZINC000261530849 135158728 /nfs/dbraw/zinc/15/87/28/135158728.db2.gz DHKRTDNXJBGNIK-WCBMZHEXSA-N 1 0 232.349 0.538 10 0 BCAERO O=C(NC[C@H]1CC[NH2+]C1)[C@H]1CCCCO1 ZINC000087654688 135161841 /nfs/dbraw/zinc/16/18/41/135161841.db2.gz LWTHWQVHNAIVGC-VHSXEESVSA-N 1 0 212.293 0.281 10 0 BCAERO COCC[C@@]1(c2nc(C)no2)CC[NH2+]C1 ZINC000261531902 135161963 /nfs/dbraw/zinc/16/19/63/135161963.db2.gz IHXUGMLITRJEBD-JTQLQIEISA-N 1 0 211.265 0.646 10 0 BCAERO O=C(C[C@H]1CCCCO1)NC[C@H]1CC[NH2+]C1 ZINC000087654934 135162172 /nfs/dbraw/zinc/16/21/72/135162172.db2.gz JKIROJYJELBBPG-WDEREUQCSA-N 1 0 226.320 0.671 10 0 BCAERO CCNC(=O)c1c[nH]nc1[C@@H]1CCC[NH2+]C1 ZINC000261533383 135164914 /nfs/dbraw/zinc/16/49/14/135164914.db2.gz HSBKIQXZBIILPR-MRVPVSSYSA-N 1 0 222.292 0.626 10 0 BCAERO CCOc1cc(N2C[C@H](C)[C@H]([NH3+])C2)ncn1 ZINC000261534155 135166521 /nfs/dbraw/zinc/16/65/21/135166521.db2.gz NRQKHHGPSMOXME-DTWKUNHWSA-N 1 0 222.292 0.659 10 0 BCAERO [NH3+][C@@H]1CC[C@H](C(=O)NC[C@H](O)C(F)(F)F)C1 ZINC000261534252 135166714 /nfs/dbraw/zinc/16/67/14/135166714.db2.gz PACJTHBZLXZKBI-XVMARJQXSA-N 1 0 240.225 0.153 10 0 BCAERO [NH3+][C@@H]1CC[C@@H](C(=O)NC[C@H](O)C(F)(F)F)C1 ZINC000261534251 135166840 /nfs/dbraw/zinc/16/68/40/135166840.db2.gz PACJTHBZLXZKBI-QYNIQEEDSA-N 1 0 240.225 0.153 10 0 BCAERO C[C@@H]1[C@@H]([NH3+])CCN1Cc1cnc(N)s1 ZINC000261534878 135168749 /nfs/dbraw/zinc/16/87/49/135168749.db2.gz NHFAKCGVKWZNSF-SVRRBLITSA-N 1 0 212.322 0.647 10 0 BCAERO C[C@@H]1CN(C[C@H]2CCC[NH2+]C2)C[C@H](CO)O1 ZINC000261535195 135168983 /nfs/dbraw/zinc/16/89/83/135168983.db2.gz WDTZJAAUROPZJX-GRYCIOLGSA-N 1 0 228.336 0.068 10 0 BCAERO C[C@H]1CN(S(=O)(=O)c2cccnc2)C[C@H]1[NH3+] ZINC000261535448 135169858 /nfs/dbraw/zinc/16/98/58/135169858.db2.gz YYMSDLHMQYAMQE-WCBMZHEXSA-N 1 0 241.316 0.049 10 0 BCAERO CC[C@H](C)NC(=O)CN1C[C@H]([NH3+])[C@@H](C)C1 ZINC000261537351 135173924 /nfs/dbraw/zinc/17/39/24/135173924.db2.gz VIYOUSAVWKCZBT-GUBZILKMSA-N 1 0 213.325 0.180 10 0 BCAERO CO[C@H](C[NH3+])CC(=O)NC[C@@H]1CCCC[C@H]1O ZINC000261539608 135177739 /nfs/dbraw/zinc/17/77/39/135177739.db2.gz AKQSNHRAUAJDKC-GARJFASQSA-N 1 0 244.335 0.018 10 0 BCAERO O=C(N[C@@H]1CCC[NH2+]C1)[C@@H]1C[C@H]1C1CC1 ZINC000261540019 135178810 /nfs/dbraw/zinc/17/88/10/135178810.db2.gz DOCMQHJPJKHPGO-OUAUKWLOSA-N 1 0 208.305 0.901 10 0 BCAERO C[C@@]1(CNC(=O)[C@@H]2CC[NH2+]C2)CCOC1 ZINC000261540824 135179728 /nfs/dbraw/zinc/17/97/28/135179728.db2.gz FIAFXJMFXCMWJY-KOLCDFICSA-N 1 0 212.293 0.139 10 0 BCAERO COc1ccnc(N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)n1 ZINC000261540913 135180037 /nfs/dbraw/zinc/18/00/37/135180037.db2.gz AOLGVIOLUOEHMQ-LPEHRKFASA-N 1 0 234.303 0.659 10 0 BCAERO COc1ccnc(N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)n1 ZINC000261540912 135180117 /nfs/dbraw/zinc/18/01/17/135180117.db2.gz AOLGVIOLUOEHMQ-IVZWLZJFSA-N 1 0 234.303 0.659 10 0 BCAERO Cc1nc([C@H](C)NC(=O)C2C[NH2+]C2)cs1 ZINC000261541076 135181151 /nfs/dbraw/zinc/18/11/51/135181151.db2.gz FLEYSFBBBFJKKU-LURJTMIESA-N 1 0 225.317 0.848 10 0 BCAERO Cc1ncsc1CNC[C@H]1C[NH2+]C[C@H]1O ZINC000261542024 135182752 /nfs/dbraw/zinc/18/27/52/135182752.db2.gz GIPDUDMBNQMOMM-RKDXNWHRSA-N 1 0 227.333 0.121 10 0 BCAERO C[C@@H](C(=O)NC[C@@H]1CC[NH2+]C1)C(F)(F)F ZINC000261543196 135184126 /nfs/dbraw/zinc/18/41/26/135184126.db2.gz HPPHCBVOQDKLIE-NKWVEPMBSA-N 1 0 224.226 0.911 10 0 BCAERO CC[C@H](OC)C(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000261544267 135185231 /nfs/dbraw/zinc/18/52/31/135185231.db2.gz IUHQDZZFPWCOAF-UTLUCORTSA-N 1 0 214.309 0.655 10 0 BCAERO COC[C@H](C)C(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000261548345 135186885 /nfs/dbraw/zinc/18/68/85/135186885.db2.gz NNCGDCLDYIWGAV-IVZWLZJFSA-N 1 0 214.309 0.465 10 0 BCAERO C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2C2CC2)CC[NH2+]1 ZINC000261548308 135187024 /nfs/dbraw/zinc/18/70/24/135187024.db2.gz NJBBLZDSMKVZPM-DVVUODLYSA-N 1 0 208.305 0.853 10 0 BCAERO Cc1ncsc1C[NH2+][C@H]1CCCNC1=O ZINC000084149377 135188153 /nfs/dbraw/zinc/18/81/53/135188153.db2.gz WMGLIJUQIIBXJO-QMMMGPOBSA-N 1 0 225.317 0.820 10 0 BCAERO C[C@H]1CCN(c2ccc(C(N)=O)cn2)[C@H](C[NH3+])C1 ZINC000261550726 135188967 /nfs/dbraw/zinc/18/89/67/135188967.db2.gz PFJAGNMCVQPKIH-ONGXEEELSA-N 1 0 248.330 0.744 10 0 BCAERO C[C@@H]1CCN(c2ccnc(C(N)=O)c2)[C@H](C[NH3+])C1 ZINC000261550175 135189130 /nfs/dbraw/zinc/18/91/30/135189130.db2.gz MJJYLHUHYWAVGI-KOLCDFICSA-N 1 0 248.330 0.744 10 0 BCAERO CN(C(=O)COC1CCCC1)C1C[NH2+]C1 ZINC000261550589 135189387 /nfs/dbraw/zinc/18/93/87/135189387.db2.gz PPPGEDPISWMECU-UHFFFAOYSA-N 1 0 212.293 0.376 10 0 BCAERO C[NH2+]CC(=O)N[C@@H]1[C@H](C)[C@H](OC)C1(C)C ZINC000261552416 135191262 /nfs/dbraw/zinc/19/12/62/135191262.db2.gz RKAYNLNGMGPENA-SFGNSQDASA-N 1 0 214.309 0.382 10 0 BCAERO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCO1 ZINC000084213080 135191762 /nfs/dbraw/zinc/19/17/62/135191762.db2.gz PSVBOGVZYDFCFU-MXWKQRLJSA-N 1 0 226.320 0.799 10 0 BCAERO CSCC(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000084212566 135192218 /nfs/dbraw/zinc/19/22/18/135192218.db2.gz RDSGTZNNMPAREN-YUMQZZPRSA-N 1 0 202.323 0.593 10 0 BCAERO CC(C)[C@H]([NH3+])C(=O)NC[C@@H]1CCC[C@@H]1O ZINC000084238261 135193641 /nfs/dbraw/zinc/19/36/41/135193641.db2.gz NJVBOGCVFSTAEV-GUBZILKMSA-N 1 0 214.309 0.247 10 0 BCAERO CC[C@H](OC)C(=O)N[C@H]1CCC[NH2+][C@@H]1C ZINC000261553982 135193689 /nfs/dbraw/zinc/19/36/89/135193689.db2.gz TUNNKCXHCQRQDY-UTLUCORTSA-N 1 0 214.309 0.668 10 0 BCAERO CN(C)c1nccc(N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)n1 ZINC000261554001 135193886 /nfs/dbraw/zinc/19/38/86/135193886.db2.gz ANURYRXIUKRAGK-GARJFASQSA-N 1 0 247.346 0.716 10 0 BCAERO CC[C@H]([NH3+])C(=O)NC[C@H]1CCC[C@H]1O ZINC000084238560 135194165 /nfs/dbraw/zinc/19/41/65/135194165.db2.gz SBQWUZWWROOMJC-HRDYMLBCSA-N 1 0 200.282 0.001 10 0 BCAERO CC[C@H]([NH3+])C(=O)NC[C@H]1CCC[C@@H]1O ZINC000084238557 135194238 /nfs/dbraw/zinc/19/42/38/135194238.db2.gz SBQWUZWWROOMJC-VGMNWLOBSA-N 1 0 200.282 0.001 10 0 BCAERO Cn1cc(C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cn1 ZINC000261554554 135194423 /nfs/dbraw/zinc/19/44/23/135194423.db2.gz OYNMPXOXUWYEOZ-GDPRMGEGSA-N 1 0 234.303 0.229 10 0 BCAERO CC(C)[C@@H]([NH3+])C(=O)NC[C@@H]1CCC[C@@H]1O ZINC000084238761 135194636 /nfs/dbraw/zinc/19/46/36/135194636.db2.gz NJVBOGCVFSTAEV-LPEHRKFASA-N 1 0 214.309 0.247 10 0 BCAERO C[C@@H](NC(=O)CCOC1C[NH2+]C1)C1CC1 ZINC000261556045 135196460 /nfs/dbraw/zinc/19/64/60/135196460.db2.gz VPGFRHRZURXFAG-MRVPVSSYSA-N 1 0 212.293 0.280 10 0 BCAERO C[N@H+](C[C@@H]1CCC[NH2+]C1)CC1(CO)CC1 ZINC000261557218 135197756 /nfs/dbraw/zinc/19/77/56/135197756.db2.gz XBMPKKFVDYCMMW-LLVKDONJSA-N 1 0 212.337 0.690 10 0 BCAERO Cc1cnc(CN2C[C@@H](C)[C@@H]([NH3+])C2)cn1 ZINC000261558648 135199897 /nfs/dbraw/zinc/19/98/97/135199897.db2.gz YOLMFPNDFULCDL-KCJUWKMLSA-N 1 0 206.293 0.564 10 0 BCAERO C[C@@H]([NH3+])CC(=O)N1CCC[C@@H]1c1cnn(C)c1 ZINC000261560450 135200810 /nfs/dbraw/zinc/20/08/10/135200810.db2.gz UPVRKDBBOYXQJE-MWLCHTKSSA-N 1 0 236.319 0.821 10 0 BCAERO CC(C)[C@@H](C)NC(=O)CCOC1C[NH2+]C1 ZINC000261560339 135201122 /nfs/dbraw/zinc/20/11/22/135201122.db2.gz ZSJJSNICJKILAU-SECBINFHSA-N 1 0 214.309 0.526 10 0 BCAERO CC(C)CNC(=O)CN1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261560759 135201662 /nfs/dbraw/zinc/20/16/62/135201662.db2.gz UUUGAFZTGKZAJM-VXGBXAGGSA-N 1 0 239.363 0.300 10 0 BCAERO Cc1nccc(N2CC[C@@H]3C[NH2+]C[C@H]3C2)n1 ZINC000261560945 135202130 /nfs/dbraw/zinc/20/21/30/135202130.db2.gz AJZSYSGNHQGHFP-MNOVXSKESA-N 1 0 218.304 0.831 10 0 BCAERO C(c1noc(C2CC2)n1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261561621 135202534 /nfs/dbraw/zinc/20/25/34/135202534.db2.gz GAGSMMMNQRYCII-QWRGUYRKSA-N 1 0 248.330 0.988 10 0 BCAERO [NH3+]CCNC(=O)[C@H]1CCc2ccccc21 ZINC000261561809 135202792 /nfs/dbraw/zinc/20/27/92/135202792.db2.gz AVZQLUNOPYFTBD-NSHDSACASA-N 1 0 204.273 0.791 10 0 BCAERO [NH3+]C1CCN(C(=O)[C@H]2C[C@@H]2C2CC2)CC1 ZINC000261562355 135203564 /nfs/dbraw/zinc/20/35/64/135203564.db2.gz BFXYLCUEHNJHDK-MNOVXSKESA-N 1 0 208.305 0.982 10 0 BCAERO Cc1c(CN2CC[C@H]3[NH2+]CC[C@H]3C2)cnn1C ZINC000261562068 135203857 /nfs/dbraw/zinc/20/38/57/135203857.db2.gz VZHSIHWXEWWYME-WCQYABFASA-N 1 0 234.347 0.912 10 0 BCAERO C[C@H](C(=O)NCCC1CCOCC1)C1C[NH2+]C1 ZINC000261562538 135204238 /nfs/dbraw/zinc/20/42/38/135204238.db2.gz WJIFYCCFIPNOPB-JTQLQIEISA-N 1 0 240.347 0.775 10 0 BCAERO Cc1cc(N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)ncn1 ZINC000261562534 135204617 /nfs/dbraw/zinc/20/46/17/135204617.db2.gz BIZQTWSKDHPYCR-DCAQKATOSA-N 1 0 218.304 0.959 10 0 BCAERO Cn1cc(CN2CC[C@H]([NH3+])C(C)(C)C2)nn1 ZINC000261562491 135204766 /nfs/dbraw/zinc/20/47/66/135204766.db2.gz BHVGTZYKOPJBQU-JTQLQIEISA-N 1 0 223.324 0.374 10 0 BCAERO Cn1cncc1CN1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261563849 135205867 /nfs/dbraw/zinc/20/58/67/135205867.db2.gz CCDUBCWKFXJKBN-QWRGUYRKSA-N 1 0 220.320 0.461 10 0 BCAERO Cn1cncc1CN1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261563847 135206235 /nfs/dbraw/zinc/20/62/35/135206235.db2.gz CCDUBCWKFXJKBN-GHMZBOCLSA-N 1 0 220.320 0.461 10 0 BCAERO Cc1c(C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cnn1C ZINC000261566505 135208266 /nfs/dbraw/zinc/20/82/66/135208266.db2.gz IFFYCSGNIGZOOB-MVWJERBFSA-N 1 0 248.330 0.538 10 0 BCAERO Cc1c(C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cnn1C ZINC000261566504 135208821 /nfs/dbraw/zinc/20/88/21/135208821.db2.gz IFFYCSGNIGZOOB-DLOVCJGASA-N 1 0 248.330 0.538 10 0 BCAERO C[C@@H](C(=O)NC[C@@H](O)c1ccccc1)C1C[NH2+]C1 ZINC000163879126 135209206 /nfs/dbraw/zinc/20/92/06/135209206.db2.gz HRYFHHQBEKLZNQ-ZWNOBZJWSA-N 1 0 248.326 0.692 10 0 BCAERO C[C@H](NC(=O)C[NH2+]C[C@H]1CCCO1)C1CC1 ZINC000261570418 135212508 /nfs/dbraw/zinc/21/25/08/135212508.db2.gz GXPYNODPAWBBAE-GXSJLCMTSA-N 1 0 226.320 0.670 10 0 BCAERO CCCOCC(=O)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261571288 135213130 /nfs/dbraw/zinc/21/31/30/135213130.db2.gz HKASHPNVOCOKHG-SNVBAGLBSA-N 1 0 228.336 0.999 10 0 BCAERO CCCCOCCCNC(=O)C1C[NH2+]C1 ZINC000164140397 135214100 /nfs/dbraw/zinc/21/41/00/135214100.db2.gz LNESLHDBFLRIEL-UHFFFAOYSA-N 1 0 214.309 0.529 10 0 BCAERO C[C@@H]1[C@@H]([NH3+])CCN1S(=O)(=O)CCC1CCC1 ZINC000261574208 135215751 /nfs/dbraw/zinc/21/57/51/135215751.db2.gz JEVHTDLSKSOCFH-KOLCDFICSA-N 1 0 246.376 0.928 10 0 BCAERO COC[C@@]1(CNc2cnccn2)CCC[NH2+]1 ZINC000261575772 135216877 /nfs/dbraw/zinc/21/68/77/135216877.db2.gz JVUIZMZULNBDFR-NSHDSACASA-N 1 0 222.292 0.657 10 0 BCAERO Cc1nc(C)c(C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)o1 ZINC000261578410 135219392 /nfs/dbraw/zinc/21/93/92/135219392.db2.gz OXRQCMLXNPOARV-MNOVXSKESA-N 1 0 249.314 0.973 10 0 BCAERO Cc1noc(CN2CC[C@H]([NH3+])C(C)(C)C2)n1 ZINC000261580336 135221867 /nfs/dbraw/zinc/22/18/67/135221867.db2.gz MZKIBACXFCVALV-VIFPVBQESA-N 1 0 224.308 0.937 10 0 BCAERO Cc1cnc(C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cn1 ZINC000261581286 135222652 /nfs/dbraw/zinc/22/26/52/135222652.db2.gz QNIOFOCGRINUML-AXFHLTTASA-N 1 0 246.314 0.594 10 0 BCAERO CC1(C)CN(c2ccnc(C(N)=O)c2)CC[C@H]1[NH3+] ZINC000261582277 135223030 /nfs/dbraw/zinc/22/30/30/135223030.db2.gz RCUQAONWSRAQOG-LLVKDONJSA-N 1 0 248.330 0.744 10 0 BCAERO C[C@@H]1[C@H]([NH3+])CCN1S(=O)(=O)N1CCCCC1 ZINC000261582386 135223188 /nfs/dbraw/zinc/22/31/88/135223188.db2.gz OICXEKQOHHKZKB-NXEZZACHSA-N 1 0 247.364 0.139 10 0 BCAERO [NH3+][C@@H]1CC[C@H]2CN(Cc3cc[nH]n3)C[C@@H]12 ZINC000261583367 135224188 /nfs/dbraw/zinc/22/41/88/135224188.db2.gz OYJSFOZLWHZISI-JMJZKYOTSA-N 1 0 206.293 0.579 10 0 BCAERO [NH3+][C@H](C(=O)NC1CCC1)C1CCOCC1 ZINC000261583534 135224274 /nfs/dbraw/zinc/22/42/74/135224274.db2.gz PCEMXHMYICHHOZ-JTQLQIEISA-N 1 0 212.293 0.409 10 0 BCAERO COC[C@]1(C(=O)N[C@@H](C)C(C)C)CC[NH2+]C1 ZINC000261586960 135227474 /nfs/dbraw/zinc/22/74/74/135227474.db2.gz RKWJDBALGDJOHL-JQWIXIFHSA-N 1 0 228.336 0.773 10 0 BCAERO [NH3+][C@@H]1CCN(Cc2ccn(C(F)F)n2)C1 ZINC000261586516 135227737 /nfs/dbraw/zinc/22/77/37/135227737.db2.gz RDFKIQGLEBTZRX-SSDOTTSWSA-N 1 0 216.235 0.811 10 0 BCAERO C[C@@H]([NH3+])C(=O)N1CCC[C@@H]1c1cnn(C)c1 ZINC000261588263 135229581 /nfs/dbraw/zinc/22/95/81/135229581.db2.gz SHXZZSZOTJVWSW-PSASIEDQSA-N 1 0 222.292 0.431 10 0 BCAERO Cc1c(CN2CC[C@@](C)(C[NH3+])C2)cnn1C ZINC000261589103 135230230 /nfs/dbraw/zinc/23/02/30/135230230.db2.gz SYWBNCAGXJRNCJ-LBPRGKRZSA-N 1 0 222.336 0.899 10 0 BCAERO CC[C@@H]1C[C@@H](C)CN1C(=O)[C@H]([NH3+])COC ZINC000261589375 135230301 /nfs/dbraw/zinc/23/03/01/135230301.db2.gz TWLMUAYDIQWIGM-OPRDCNLKSA-N 1 0 214.309 0.607 10 0 BCAERO C[C@H](C[C@H]1CCCO1)NC(=O)[C@@H](C)C[NH3+] ZINC000261591424 135232097 /nfs/dbraw/zinc/23/20/97/135232097.db2.gz VHMATWXRQPWKLS-IVZWLZJFSA-N 1 0 214.309 0.655 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@@H]1NS(=O)(=O)CCC1CC1 ZINC000261592376 135232500 /nfs/dbraw/zinc/23/25/00/135232500.db2.gz VUAUOYHGECFRGI-QWRGUYRKSA-N 1 0 246.376 0.833 10 0 BCAERO [NH3+]C[C@H]1CCC[C@@H]1NS(=O)(=O)CCC1CC1 ZINC000261592372 135232782 /nfs/dbraw/zinc/23/27/82/135232782.db2.gz VUAUOYHGECFRGI-MNOVXSKESA-N 1 0 246.376 0.833 10 0 BCAERO CCS(=O)(=O)CCN1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261594232 135234146 /nfs/dbraw/zinc/23/41/46/135234146.db2.gz XIQMZCPNLOCXAJ-SNVBAGLBSA-N 1 0 248.392 0.480 10 0 BCAERO CCS(=O)(=O)CCN1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261594231 135234390 /nfs/dbraw/zinc/23/43/90/135234390.db2.gz XIQMZCPNLOCXAJ-JTQLQIEISA-N 1 0 248.392 0.480 10 0 BCAERO CC1(C)CN(C(=O)[C@H]2CCOC2)CC[C@@H]1[NH3+] ZINC000261594312 135234525 /nfs/dbraw/zinc/23/45/25/135234525.db2.gz XLZQHKHZPSYLQB-UWVGGRQHSA-N 1 0 226.320 0.609 10 0 BCAERO Cc1nn(C)c(C)c1CN1CC[C@@H]([NH3+])[C@H]1C ZINC000261594503 135235247 /nfs/dbraw/zinc/23/52/47/135235247.db2.gz XPWXRLBVJUZIBD-ZYHUDNBSSA-N 1 0 222.336 0.958 10 0 BCAERO COC(=O)[C@H](C)NC(=O)CC[C@H]1CCC[NH2+]1 ZINC000261595189 135235320 /nfs/dbraw/zinc/23/53/20/135235320.db2.gz XXIOHICCSKZOKA-DTWKUNHWSA-N 1 0 228.292 0.196 10 0 BCAERO [NH3+][C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2C2CC2)C1 ZINC000261596804 135236193 /nfs/dbraw/zinc/23/61/93/135236193.db2.gz YWUHRDYZPPCDFF-OUAUKWLOSA-N 1 0 208.305 0.982 10 0 BCAERO CO[C@H](C[NH3+])C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000261599705 135237371 /nfs/dbraw/zinc/23/73/71/135237371.db2.gz ZYECEPDPVWDTDQ-LNFKQOIKSA-N 1 0 228.336 0.901 10 0 BCAERO C[C@@H]1CCN(C(=O)[C@H]([NH3+])C2CCOCC2)C1 ZINC000261606586 135237513 /nfs/dbraw/zinc/23/75/13/135237513.db2.gz ASYJNOFCFPELHX-MWLCHTKSSA-N 1 0 226.320 0.609 10 0 BCAERO O=C(NC[C@@H]1CC[NH2+]C1)[C@H]1C[C@@H]1C1CC1 ZINC000261547774 135241269 /nfs/dbraw/zinc/24/12/69/135241269.db2.gz MSPRQADSRZAWFD-IEBDPFPHSA-N 1 0 208.305 0.758 10 0 BCAERO C[C@@H]1C[C@H]1NC(=O)[C@@H]([NH3+])C1CCOCC1 ZINC000261547999 135241630 /nfs/dbraw/zinc/24/16/30/135241630.db2.gz MZPJBZRIIZPRNJ-QNSHHTMESA-N 1 0 212.293 0.265 10 0 BCAERO C[NH2+][C@@H](C)CNC(=O)c1cnc(C2CC2)[nH]1 ZINC000261634982 135241868 /nfs/dbraw/zinc/24/18/68/135241868.db2.gz CTBHLHFVWCZZJU-ZETCQYMHSA-N 1 0 222.292 0.625 10 0 BCAERO C[NH2+][C@@H](C)CNC(=O)[C@@H]1CCc2c[nH]nc2C1 ZINC000261656360 135243424 /nfs/dbraw/zinc/24/34/24/135243424.db2.gz FMTNEJVJYXGTIT-DTWKUNHWSA-N 1 0 236.319 0.239 10 0 BCAERO C[C@@H]1CCN(C(=O)C[C@@H]2CCOC2)[C@@H](C[NH3+])C1 ZINC000261665812 135243552 /nfs/dbraw/zinc/24/35/52/135243552.db2.gz CISXCAATBKYMIL-GRYCIOLGSA-N 1 0 240.347 0.999 10 0 BCAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)NC[C@H]1CCOC1 ZINC000261624354 135244459 /nfs/dbraw/zinc/24/44/59/135244459.db2.gz BEIMSESLOZNMAN-GMTAPVOTSA-N 1 0 226.320 0.514 10 0 BCAERO C[C@@H]1CN(Cc2ccc3c(c2)nnn3C)C[C@@H]1[NH3+] ZINC000261690801 135246240 /nfs/dbraw/zinc/24/62/40/135246240.db2.gz AXRUBIWZVJBMMK-KOLCDFICSA-N 1 0 245.330 0.747 10 0 BCAERO Cc1ccc(CN(C)C(=O)C2C[NH2+]C2)o1 ZINC000084408834 135247652 /nfs/dbraw/zinc/24/76/52/135247652.db2.gz DNRJSYHRZPKWJK-UHFFFAOYSA-N 1 0 208.261 0.766 10 0 BCAERO CC(=O)N(C)CC(=O)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261735798 135249144 /nfs/dbraw/zinc/24/91/44/135249144.db2.gz DBHHZXXPBCBYMQ-JTQLQIEISA-N 1 0 241.335 0.051 10 0 BCAERO CC(=O)N[C@@H]1CCCN(C[C@]2(C)CC[NH2+]C2)C1 ZINC000261751278 135250010 /nfs/dbraw/zinc/25/00/10/135250010.db2.gz JVAAAVQUASTHNP-CHWSQXEVSA-N 1 0 239.363 0.587 10 0 BCAERO CC1(C)CN(CCN2CCCC2=O)CC[C@H]1[NH3+] ZINC000261779688 135252581 /nfs/dbraw/zinc/25/25/81/135252581.db2.gz TUKZUIPQUBHJBX-LLVKDONJSA-N 1 0 239.363 0.668 10 0 BCAERO C[C@H]1COCCN1C(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000261810469 135254759 /nfs/dbraw/zinc/25/47/59/135254759.db2.gz RUXKUUPJAXUPPV-GARJFASQSA-N 1 0 226.320 0.751 10 0 BCAERO C[C@@H]1OCC[C@@H]1NC(=O)[C@H]([NH3+])C1CCOCC1 ZINC000261818342 135255198 /nfs/dbraw/zinc/25/51/98/135255198.db2.gz PGLHBSMQGYUUIQ-INTQDDNPSA-N 1 0 242.319 0.034 10 0 BCAERO CC[C@H](C(=O)NC[C@H](C)[NH2+]C)N1CCCC1=O ZINC000261849206 135256966 /nfs/dbraw/zinc/25/69/66/135256966.db2.gz XDJAOSDACPFEFG-VHSXEESVSA-N 1 0 241.335 0.112 10 0 BCAERO CCCC1(C(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)CC1 ZINC000261900638 135261487 /nfs/dbraw/zinc/26/14/87/135261487.db2.gz AFANPYONVYAAQF-UWVGGRQHSA-N 1 0 226.320 0.263 10 0 BCAERO C([C@H]1CCC[NH2+]C1)N1C[C@@H]2COC[C@H](C1)O2 ZINC000261906242 135261579 /nfs/dbraw/zinc/26/15/79/135261579.db2.gz ZDHQFAWDWOXOPO-SDDRHHMPSA-N 1 0 226.320 0.086 10 0 BCAERO CS[C@H](C)CNC(=O)[C@H]([NH3+])C1CCOCC1 ZINC000261907861 135261785 /nfs/dbraw/zinc/26/17/85/135261785.db2.gz XFAPGANRUOPZEW-PSASIEDQSA-N 1 0 246.376 0.608 10 0 BCAERO CC(C)[C@@H](C)NC(=O)[C@@H]([NH3+])C1CCOCC1 ZINC000261900663 135261902 /nfs/dbraw/zinc/26/19/02/135261902.db2.gz WMJXKMDIEYKPSY-KOLCDFICSA-N 1 0 228.336 0.901 10 0 BCAERO C([C@@H]1CCC[NH2+]C1)N1C[C@@H]2COC[C@H](C1)O2 ZINC000261906243 135261909 /nfs/dbraw/zinc/26/19/09/135261909.db2.gz ZDHQFAWDWOXOPO-UTUOFQBUSA-N 1 0 226.320 0.086 10 0 BCAERO CS[C@H](C)CNC(=O)[C@@H]([NH3+])C1CCOCC1 ZINC000261907862 135261914 /nfs/dbraw/zinc/26/19/14/135261914.db2.gz XFAPGANRUOPZEW-SCZZXKLOSA-N 1 0 246.376 0.608 10 0 BCAERO NC(=[NH2+])NC[C@@H](O)c1cccc(OC(F)F)c1 ZINC000261904432 135262053 /nfs/dbraw/zinc/26/20/53/135262053.db2.gz WQUQDSSNCPIICO-MRVPVSSYSA-N 1 0 245.229 0.804 10 0 BCAERO CC[C@@H](OC)C(=O)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261957036 135266021 /nfs/dbraw/zinc/26/60/21/135266021.db2.gz ZSEDYBLCDAKJLT-NXEZZACHSA-N 1 0 228.336 0.997 10 0 BCAERO C[C@@H]1CCN(C(=O)C2(C[NH3+])CCOCC2)[C@@H]1C ZINC000261955626 135266408 /nfs/dbraw/zinc/26/64/08/135266408.db2.gz OVJWTDVIGFJJEC-GHMZBOCLSA-N 1 0 240.347 0.999 10 0 BCAERO C[C@@H]1CN(Cc2cnc(N(C)C)nc2)C[C@@H]1[NH3+] ZINC000261977814 135268559 /nfs/dbraw/zinc/26/85/59/135268559.db2.gz IWKIGKGWELUGGG-KOLCDFICSA-N 1 0 235.335 0.322 10 0 BCAERO COC(=O)c1cc(CN2C[C@@H](C)[C@@H]([NH3+])C2)c[nH]1 ZINC000261975226 135268894 /nfs/dbraw/zinc/26/88/94/135268894.db2.gz IQPFNSQAVNQEBG-SCZZXKLOSA-N 1 0 237.303 0.580 10 0 BCAERO C[C@H]1C[C@@H]1CNC(=O)[C@H]1NCCO[C@@H]1C ZINC000262052707 135273374 /nfs/dbraw/zinc/27/33/74/135273374.db2.gz ZVGWSAHYRXVYPC-JLIMGVALSA-N 1 0 212.293 0.136 10 0 BCAERO O=C(CC1CCCCC1)NC[C@H]1C[NH2+]C[C@H]1O ZINC000262066889 135276654 /nfs/dbraw/zinc/27/66/54/135276654.db2.gz BGUGIPVIONLGMM-VXGBXAGGSA-N 1 0 240.347 0.653 10 0 BCAERO O=C(CC1CCCCC1)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000262066884 135276758 /nfs/dbraw/zinc/27/67/58/135276758.db2.gz BGUGIPVIONLGMM-RYUDHWBXSA-N 1 0 240.347 0.653 10 0 BCAERO Cc1cccc(C(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)c1 ZINC000262078600 135277378 /nfs/dbraw/zinc/27/73/78/135277378.db2.gz CGTJRNHCHHFEKA-RYUDHWBXSA-N 1 0 234.299 0.305 10 0 BCAERO Cc1ccc(C)c(C(=O)NC[C@@H]2C[NH2+]C[C@H]2O)c1 ZINC000262115511 135279568 /nfs/dbraw/zinc/27/95/68/135279568.db2.gz FPHDXFHHFSILCV-WCQYABFASA-N 1 0 248.326 0.614 10 0 BCAERO CC(C)[C@H]1OCC[C@@H]1CNC(=O)C1([NH3+])CC1 ZINC000262130558 135280702 /nfs/dbraw/zinc/28/07/02/135280702.db2.gz MNJFGZIVNXGKFU-NXEZZACHSA-N 1 0 226.320 0.655 10 0 BCAERO Cc1cc(CNC[C@@H]2C[NH2+]C[C@H]2O)ccc1F ZINC000262143625 135281241 /nfs/dbraw/zinc/28/12/41/135281241.db2.gz PYZLNLAJWQRINO-DGCLKSJQSA-N 1 0 238.306 0.804 10 0 BCAERO COC[C@H]([NH3+])C(=O)Nc1ccc(C)c2c[nH]nc21 ZINC000262171403 135283655 /nfs/dbraw/zinc/28/36/55/135283655.db2.gz ATZSXSMCKDPBPF-VIFPVBQESA-N 1 0 248.286 0.784 10 0 BCAERO C[C@@H]([NH3+])C(=O)NCC1([C@@H](C)CCO)CCC1 ZINC000262174244 135283670 /nfs/dbraw/zinc/28/36/70/135283670.db2.gz XYVUJQPMTGGFLT-VHSXEESVSA-N 1 0 228.336 0.639 10 0 BCAERO C[C@H]1CN(C(=O)[C@H]2C[C@H](F)C[NH2+]2)C[C@H]1C ZINC000262188871 135284324 /nfs/dbraw/zinc/28/43/24/135284324.db2.gz YBDWFTLZGOOAJF-QCLAVDOMSA-N 1 0 214.284 0.801 10 0 BCAERO CCc1nc(CNC[C@H]2C[NH2+]C[C@@H]2O)cs1 ZINC000262188956 135284968 /nfs/dbraw/zinc/28/49/68/135284968.db2.gz YEVIBOPIGLRTDW-WPRPVWTQSA-N 1 0 241.360 0.375 10 0 BCAERO COC[C@H]([NH3+])C(=O)N[C@H]1CC12CCCCC2 ZINC000262220277 135285198 /nfs/dbraw/zinc/28/51/98/135285198.db2.gz FQEVPVQJVNRAKZ-UWVGGRQHSA-N 1 0 226.320 0.799 10 0 BCAERO Cc1ccc(C(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)cc1C ZINC000262227493 135286506 /nfs/dbraw/zinc/28/65/06/135286506.db2.gz JZXRMGASZDLWMX-STQMWFEESA-N 1 0 248.326 0.614 10 0 BCAERO Cc1ccc(C(=O)NC[C@@H]2C[NH2+]C[C@H]2O)cc1C ZINC000262227491 135286550 /nfs/dbraw/zinc/28/65/50/135286550.db2.gz JZXRMGASZDLWMX-QWHCGFSZSA-N 1 0 248.326 0.614 10 0 BCAERO COC[C@H]([NH3+])C(=O)N1C[C@@H](C)CCC[C@@H]1C ZINC000262247509 135286972 /nfs/dbraw/zinc/28/69/72/135286972.db2.gz IITLOOYJESNDEP-DCAQKATOSA-N 1 0 228.336 0.997 10 0 BCAERO CC(C)C[C@@H](CCO)CNC(=O)C1C[NH2+]C1 ZINC000262237719 135287138 /nfs/dbraw/zinc/28/71/38/135287138.db2.gz NJEKYYYQPQMDKM-SNVBAGLBSA-N 1 0 228.336 0.367 10 0 BCAERO CC(C)[C@@H]1C[C@@H](NC(=O)C2C[NH2+]C2)CCO1 ZINC000262239554 135287431 /nfs/dbraw/zinc/28/74/31/135287431.db2.gz NTWRJQXBVMCPMC-QWRGUYRKSA-N 1 0 226.320 0.526 10 0 BCAERO COC[C@H]([NH3+])C(=O)Nc1ccc(Cl)cc1O ZINC000262237935 135287530 /nfs/dbraw/zinc/28/75/30/135287530.db2.gz HMRCEOFMGIKXOL-ZETCQYMHSA-N 1 0 244.678 0.958 10 0 BCAERO COC[C@H]([NH3+])C(=O)N1CCS[C@H](C(C)C)C1 ZINC000262246199 135287649 /nfs/dbraw/zinc/28/76/49/135287649.db2.gz IFFYLARCEHYYNL-UWVGGRQHSA-N 1 0 246.376 0.560 10 0 BCAERO Cc1ccsc1C(=O)NC[C@H]1C[NH2+]C[C@H]1O ZINC000262245228 135287668 /nfs/dbraw/zinc/28/76/68/135287668.db2.gz LDFYCBHXFPHCAT-RKDXNWHRSA-N 1 0 240.328 0.367 10 0 BCAERO CCOc1ccccc1CNC(=O)C1C[NH2+]C1 ZINC000262257614 135287925 /nfs/dbraw/zinc/28/79/25/135287925.db2.gz QOIFVBDYPFYTRT-UHFFFAOYSA-N 1 0 234.299 0.921 10 0 BCAERO Cc1ccc(C(=O)NC[C@H]2C[NH2+]C[C@@H]2O)c(C)n1 ZINC000262273246 135288802 /nfs/dbraw/zinc/28/88/02/135288802.db2.gz NEIKQEQXZBSXDY-PWSUYJOCSA-N 1 0 249.314 0.009 10 0 BCAERO Cc1nc(C)c(CCNC(=O)C2C[NH2+]C2)s1 ZINC000262263773 135289233 /nfs/dbraw/zinc/28/92/33/135289233.db2.gz RNXPBYMBFFKSNW-UHFFFAOYSA-N 1 0 239.344 0.638 10 0 BCAERO C[C@H](C[NH3+])C(=O)N1CC[C@H](c2cnn(C)c2)C1 ZINC000262330334 135292765 /nfs/dbraw/zinc/29/27/65/135292765.db2.gz GNYWAZRAUIEQKH-ZJUUUORDSA-N 1 0 236.319 0.331 10 0 BCAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)c1ccc(Cl)o1 ZINC000262329090 135292986 /nfs/dbraw/zinc/29/29/86/135292986.db2.gz SDCLXQAYQZMHKX-BQBZGAKWSA-N 1 0 244.678 0.243 10 0 BCAERO C[NH2+]CCC(=O)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000262334020 135294051 /nfs/dbraw/zinc/29/40/51/135294051.db2.gz HCOKCSZEYGXTIQ-SNVBAGLBSA-N 1 0 236.319 0.346 10 0 BCAERO COC[C@H]([NH3+])C(=O)NC[C@@H]1CCc2ccccc21 ZINC000262349153 135294546 /nfs/dbraw/zinc/29/45/46/135294546.db2.gz UGZPJDPOHJEPKD-AAEUAGOBSA-N 1 0 248.326 0.806 10 0 BCAERO Cc1ccc(C(=O)NC[C@H]2C[NH2+]C[C@@H]2O)cc1 ZINC000262412054 135295245 /nfs/dbraw/zinc/29/52/45/135295245.db2.gz ZJCLDPJETMXLAN-NEPJUHHUSA-N 1 0 234.299 0.305 10 0 BCAERO COC(=O)C1(NC(=O)CC[NH3+])CCC(C)CC1 ZINC000262432941 135296655 /nfs/dbraw/zinc/29/66/55/135296655.db2.gz KGNQOUNEHSBKJV-UHFFFAOYSA-N 1 0 242.319 0.573 10 0 BCAERO CC(C)[C@H]1OCC[C@@H]1CNC(=O)[C@H](C)C[NH3+] ZINC000262395970 135298708 /nfs/dbraw/zinc/29/87/08/135298708.db2.gz OTVLXYCXJVDUIY-GMTAPVOTSA-N 1 0 228.336 0.759 10 0 BCAERO CC(C)[C@H]1OCC[C@H]1CNC(=O)C(C)(C)[NH3+] ZINC000262494044 135302653 /nfs/dbraw/zinc/30/26/53/135302653.db2.gz YMNKWUQZBXMOEC-VHSXEESVSA-N 1 0 228.336 0.901 10 0 BCAERO CC(C)[C@@H]1OCC[C@H]1CNC1=[NH+]CCCN1 ZINC000262552979 135305729 /nfs/dbraw/zinc/30/57/29/135305729.db2.gz ZKEHWICUZRNGRW-QWRGUYRKSA-N 1 0 225.336 0.986 10 0 BCAERO COC(=O)CC[N@H+](C)CC1CC(O)C1 ZINC000084452231 135307297 /nfs/dbraw/zinc/30/72/97/135307297.db2.gz WVFSKNUKMUIPIL-UHFFFAOYSA-N 1 0 201.266 0.252 10 0 BCAERO C[N@H+](CC1CC(O)C1)CC1(O)CCCC1 ZINC000084452641 135308880 /nfs/dbraw/zinc/30/88/80/135308880.db2.gz ZCFQLCHPFLPWLC-UHFFFAOYSA-N 1 0 213.321 0.994 10 0 BCAERO NCC(F)(F)CNC(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000262689181 135314043 /nfs/dbraw/zinc/31/40/43/135314043.db2.gz FLOOSYBCKKYXHG-SFYZADRCSA-N 1 0 235.278 0.214 10 0 BCAERO C[C@H]([NH3+])CCC(=O)N[C@@H](C(N)=O)C(C)(C)C ZINC000262805423 135319005 /nfs/dbraw/zinc/31/90/05/135319005.db2.gz PXBXUVKYMTVJPS-CBAPKCEASA-N 1 0 229.324 0.130 10 0 BCAERO Cc1nnc2c(NC[C@H]([NH3+])C(C)C)nccn12 ZINC000079471656 135322353 /nfs/dbraw/zinc/32/23/53/135322353.db2.gz FQYKGZYWUWPFAK-VIFPVBQESA-N 1 0 234.307 0.828 10 0 BCAERO [NH3+]CCN1CCOC[C@@H]1Cc1ccccc1 ZINC000262900243 135323324 /nfs/dbraw/zinc/32/33/24/135323324.db2.gz DNXXWSLSDHDOKY-ZDUSSCGKSA-N 1 0 220.316 0.889 10 0 BCAERO Cc1ccc(N(C)C2CCN(CC[NH3+])CC2)nn1 ZINC000263006670 135326803 /nfs/dbraw/zinc/32/68/03/135326803.db2.gz PHUCXQWJVKSQNQ-UHFFFAOYSA-N 1 0 249.362 0.644 10 0 BCAERO CCCOCc1nc([C@@H]2C[NH2+]CCN2C)no1 ZINC000263110475 135333692 /nfs/dbraw/zinc/33/36/92/135333692.db2.gz AGZCDRHQOPISTN-VIFPVBQESA-N 1 0 240.307 0.572 10 0 BCAERO COC[C@@H](C)c1nc([C@@H]2C[NH2+]CCN2C)no1 ZINC000263119806 135334230 /nfs/dbraw/zinc/33/42/30/135334230.db2.gz AVFQZAODIAXEON-BDAKNGLRSA-N 1 0 240.307 0.396 10 0 BCAERO CN1CC[NH2+]C[C@@H]1c1noc(-c2ccco2)n1 ZINC000263178893 135337825 /nfs/dbraw/zinc/33/78/25/135337825.db2.gz GLUVAZGFSARRLC-MRVPVSSYSA-N 1 0 234.259 0.906 10 0 BCAERO CCOCc1nc([C@H]2C[NH2+]CCN2C)no1 ZINC000263212727 135339794 /nfs/dbraw/zinc/33/97/94/135339794.db2.gz KMMNCFFBACDCFL-MRVPVSSYSA-N 1 0 226.280 0.182 10 0 BCAERO O[C@H]1C[NH2+]C[C@H]1CNCc1cccc2c1NCC2 ZINC000263217825 135339879 /nfs/dbraw/zinc/33/98/79/135339879.db2.gz LEJWPZJSPAHLBD-OLZOCXBDSA-N 1 0 247.342 0.325 10 0 BCAERO O[C@H]1C[NH2+]C[C@H]1CNCc1cccc(F)c1 ZINC000263216204 135340107 /nfs/dbraw/zinc/34/01/07/135340107.db2.gz KXRXQEKXLPUISP-PWSUYJOCSA-N 1 0 224.279 0.496 10 0 BCAERO CN1CC[NH2+]C[C@@H]1c1noc(CC2CC2)n1 ZINC000263235370 135342015 /nfs/dbraw/zinc/34/20/15/135342015.db2.gz NZKMWIDXWLUTDC-SECBINFHSA-N 1 0 222.292 0.598 10 0 BCAERO O[C@H]1C[NH2+]C[C@@H]1CNCc1ccc2c[nH]nc2c1 ZINC000263270640 135343716 /nfs/dbraw/zinc/34/37/16/135343716.db2.gz SCNCVMOTAPMGJJ-AAEUAGOBSA-N 1 0 246.314 0.233 10 0 BCAERO CC(C)n1cc(CNC[C@H]2C[NH2+]C[C@H]2O)cn1 ZINC000263312595 135345763 /nfs/dbraw/zinc/34/57/63/135345763.db2.gz YZHBQUIHZPGWES-NWDGAFQWSA-N 1 0 238.335 0.134 10 0 BCAERO CN(C)c1cccc(CN(C)C(=O)C2C[NH2+]C2)c1 ZINC000263324094 135346405 /nfs/dbraw/zinc/34/64/05/135346405.db2.gz SFTXPDAMWGSSRY-UHFFFAOYSA-N 1 0 247.342 0.930 10 0 BCAERO C[C@H](NC(=O)C1(C)C[NH2+]C1)[C@H]1CCCO1 ZINC000335039113 135407087 /nfs/dbraw/zinc/40/70/87/135407087.db2.gz MFTMRCVTPFSKHW-DTWKUNHWSA-N 1 0 212.293 0.280 10 0 BCAERO Cc1cc(NC(=O)[C@@H]2C[NH2+]C[C@H]2C)no1 ZINC000082558759 135438957 /nfs/dbraw/zinc/43/89/57/135438957.db2.gz WUUZLGNQKMXNJR-HTRCEHHLSA-N 1 0 209.249 0.777 10 0 BCAERO Cn1nccc1NC(=O)[C@H]1CCC[C@@H]1[NH3+] ZINC000082921522 135442080 /nfs/dbraw/zinc/44/20/80/135442080.db2.gz COMFGDAOPRMZEZ-YUMQZZPRSA-N 1 0 208.265 0.486 10 0 BCAERO CCn1cc(NC(=O)[C@H]2CCC[C@@H]2[NH3+])cn1 ZINC000082920720 135442303 /nfs/dbraw/zinc/44/23/03/135442303.db2.gz ADMVODMZMSNGPW-UWVGGRQHSA-N 1 0 222.292 0.969 10 0 BCAERO [NH3+][C@H]1CCC[C@H]1C(=O)NCc1ccccn1 ZINC000082920217 135442474 /nfs/dbraw/zinc/44/24/74/135442474.db2.gz UTSQJBPSOWHRSU-MNOVXSKESA-N 1 0 219.288 0.825 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)C[C@@H]1CCCO1 ZINC000083522023 135450246 /nfs/dbraw/zinc/45/02/46/135450246.db2.gz HEWANKILYGPPOR-DCAQKATOSA-N 1 0 226.320 0.799 10 0 BCAERO Cc1cc(C(=O)N[C@@H]2CCC[C@H]2C[NH3+])on1 ZINC000084212489 135466403 /nfs/dbraw/zinc/46/64/03/135466403.db2.gz KUDNMUYAQBNBBA-DTWKUNHWSA-N 1 0 223.276 0.840 10 0 BCAERO [NH3+]CCCNc1ncncc1Br ZINC000085465029 135485154 /nfs/dbraw/zinc/48/51/54/135485154.db2.gz IXQHCGOGTYJCJR-UHFFFAOYSA-N 1 0 231.097 1.000 10 0 BCAERO CN(C(=O)[C@@H]1Cc2ccccc21)C1C[NH2+]C1 ZINC000085577617 135486595 /nfs/dbraw/zinc/48/65/95/135486595.db2.gz ZBGUNPIEDOHBMM-GFCCVEGCSA-N 1 0 216.284 0.757 10 0 BCAERO C[C@@]1(CNC(=O)[C@H]2CC[NH2+]C2)CCCO1 ZINC000087254155 135503986 /nfs/dbraw/zinc/50/39/86/135503986.db2.gz WRKQYCDUHAEJTR-ONGXEEELSA-N 1 0 212.293 0.281 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@H]1Nc1nccn2cnnc12 ZINC000089105831 135529792 /nfs/dbraw/zinc/52/97/92/135529792.db2.gz OWJCJCFPOHVFPI-DTWKUNHWSA-N 1 0 232.291 0.664 10 0 BCAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)NC[C@@H]1CCCOC1 ZINC000089458195 135536034 /nfs/dbraw/zinc/53/60/34/135536034.db2.gz YZSBMBSGKMEHGQ-QJPTWQEYSA-N 1 0 240.347 0.904 10 0 BCAERO C[NH+](C)[C@@H]1CC[C@H](NS(C)(=O)=O)C1 ZINC000092259916 135574658 /nfs/dbraw/zinc/57/46/58/135574658.db2.gz ILHWHYHKKXQCAI-JGVFFNPUSA-N 1 0 206.311 0.018 10 0 BCAERO CN(C(=O)[C@@H]1COCCO1)[C@H]1CCC[NH2+]CC1 ZINC000231475514 135603295 /nfs/dbraw/zinc/60/32/95/135603295.db2.gz ZRCZWWDXXJNPLM-QWRGUYRKSA-N 1 0 242.319 0.002 10 0 BCAERO Cc1ccc(C(=O)NCC[NH2+]C2COC2)cc1 ZINC000113255892 135805665 /nfs/dbraw/zinc/80/56/65/135805665.db2.gz NFAJZIMBZWYNOZ-UHFFFAOYSA-N 1 0 234.299 0.713 10 0 BCAERO C[NH+](C)[C@@H]1CC[C@H](NS(=O)(=O)C2(C)CC2)C1 ZINC000334818423 135832302 /nfs/dbraw/zinc/83/23/02/135832302.db2.gz LPENSUVFCQIMIB-VHSXEESVSA-N 1 0 246.376 0.941 10 0 BCAERO C[C@H](C[NH2+][C@H]1CCO[C@H]1C)CS(C)(=O)=O ZINC000348122899 136032784 /nfs/dbraw/zinc/03/27/84/136032784.db2.gz XRYYVHTXWPXUAM-UTLUCORTSA-N 1 0 235.349 0.434 10 0 BCAERO Cc1ccncc1C(=O)N1C[C@H](C)[C@H]([NH3+])C1 ZINC000335378063 136086506 /nfs/dbraw/zinc/08/65/06/136086506.db2.gz BRCIUMVTDNJDBU-GXSJLCMTSA-N 1 0 219.288 0.809 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N(C)Cc1cc[nH]n1 ZINC000335593149 136103907 /nfs/dbraw/zinc/10/39/07/136103907.db2.gz XQHSDLNMDOEPIC-PSASIEDQSA-N 1 0 222.292 0.224 10 0 BCAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)NCC1CC1 ZINC000335594838 136104310 /nfs/dbraw/zinc/10/43/10/136104310.db2.gz BPOIMAFRMKBGED-WCBMZHEXSA-N 1 0 211.309 0.836 10 0 BCAERO CCC(C)(C)[NH2+][C@@H](C)C(=O)NC(N)=O ZINC000020309290 168301146 /nfs/dbraw/zinc/30/11/46/168301146.db2.gz UYJJGNDCOUSQHY-LURJTMIESA-N 1 0 201.270 0.348 10 0 BCAERO CC(C)CCS(=O)(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000104741684 166886224 /nfs/dbraw/zinc/88/62/24/166886224.db2.gz ZFBKJDZPNNJOPQ-NSHDSACASA-N 1 0 248.392 0.998 10 0 BCAERO [NH3+][C@@H]1CCO[C@H]1[C@@H](O)c1ccns1 ZINC000575463709 397946951 /nfs/dbraw/zinc/94/69/51/397946951.db2.gz QUTNVQCBGYRGAC-MHSYXAOVSA-N 1 0 200.263 0.293 10 0 BCAERO [NH3+][C@H]1CCC[C@H](NC(=O)[C@H]2CCCO2)C1 ZINC000382461885 397951346 /nfs/dbraw/zinc/95/13/46/397951346.db2.gz WXDAUXCJFYUEDW-LPEHRKFASA-N 1 0 212.293 0.552 10 0 BCAERO [NH3+]C[C@@H]1CCCN1CC(=O)NC1CCCC1 ZINC000082595279 397968242 /nfs/dbraw/zinc/96/82/42/397968242.db2.gz AUXRPKSTYITVTO-NSHDSACASA-N 1 0 225.336 0.468 10 0 BCAERO C[NH+](C)[C@H]1CCN(C[C@@H](O)CC(F)(F)F)C1 ZINC000307929434 397959557 /nfs/dbraw/zinc/95/95/57/397959557.db2.gz APZFUEUKJVVZTF-IUCAKERBSA-N 1 0 240.269 0.936 10 0 BCAERO COC(=O)[C@H]1Cc2ccccc2N(CC[NH3+])C1 ZINC000616670166 397918585 /nfs/dbraw/zinc/91/85/85/397918585.db2.gz CGBGBVRZZPHEPF-NSHDSACASA-N 1 0 234.299 0.797 10 0 BCAERO Cc1nc(C)c(CNC(=O)[C@H]2CC[NH2+]C2)o1 ZINC000382204160 397921235 /nfs/dbraw/zinc/92/12/35/397921235.db2.gz GXNHYQQTTFKHGA-VIFPVBQESA-N 1 0 223.276 0.517 10 0 BCAERO C[C@H]1CN(C(=O)[C@H]2CCCO2)C[C@H](C)[NH2+]1 ZINC000166384313 398002837 /nfs/dbraw/zinc/00/28/37/398002837.db2.gz IUBLAAPUXVEJJJ-LPEHRKFASA-N 1 0 212.293 0.374 10 0 BCAERO CC1(C[NH2+][C@H]2CCSC2)OCCO1 ZINC000307180881 398011224 /nfs/dbraw/zinc/01/12/24/398011224.db2.gz LYCVIFAUEQVJIV-QMMMGPOBSA-N 1 0 203.307 0.845 10 0 BCAERO CC(=O)NCCCNC(=O)[C@H]1CCC[NH2+][C@@H]1C ZINC000383454650 398020142 /nfs/dbraw/zinc/02/01/42/398020142.db2.gz DMXZUMRDCRKFFK-KOLCDFICSA-N 1 0 241.335 0.017 10 0 BCAERO CNC(=O)c1ccc(NC(=O)C[C@H](C)[NH3+])cc1 ZINC000037607843 398023707 /nfs/dbraw/zinc/02/37/07/398023707.db2.gz XDLIYTAGLKRSFJ-QMMMGPOBSA-N 1 0 235.287 0.722 10 0 BCAERO C[NH2+][C@H](C)C(=O)N[C@H](C)c1nnc2ccccn21 ZINC000054073340 398024743 /nfs/dbraw/zinc/02/47/43/398024743.db2.gz PXXUALSNJVMQQL-RKDXNWHRSA-N 1 0 247.302 0.514 10 0 BCAERO C[NH2+][C@H](C)C(=O)Nc1cccc(C(=O)N(C)C)c1 ZINC000054074035 398024861 /nfs/dbraw/zinc/02/48/61/398024861.db2.gz OWEOOQLICRJUTQ-SECBINFHSA-N 1 0 249.314 0.935 10 0 BCAERO C[NH2+][C@H](C)C(=O)Nc1ccc(-n2cncn2)nc1 ZINC000054073496 398025167 /nfs/dbraw/zinc/02/51/67/398025167.db2.gz NWDQBJCJXSLPEH-MRVPVSSYSA-N 1 0 246.274 0.209 10 0 BCAERO C[NH2+][C@H](C)C(=O)Nc1cccc(NC(N)=O)c1 ZINC000054074144 398025550 /nfs/dbraw/zinc/02/55/50/398025550.db2.gz URLPWSCEDYPFKF-SSDOTTSWSA-N 1 0 236.275 0.724 10 0 BCAERO CN(C[C@H](O)C[NH2+][C@H]1CCCC[C@H]1O)C1CC1 ZINC000383581372 398030070 /nfs/dbraw/zinc/03/00/70/398030070.db2.gz LZWLEWQSYCBGDC-FRRDWIJNSA-N 1 0 242.363 0.335 10 0 BCAERO O=C(CC[C@@H]1CCC[NH2+]1)N[C@H]1CCC[C@@H](O)C1 ZINC000383654672 398033982 /nfs/dbraw/zinc/03/39/82/398033982.db2.gz KDOJLSUXCSGORS-SDDRHHMPSA-N 1 0 240.347 0.938 10 0 BCAERO CC(C)(C)OC(=O)[C@@H](N)[C@@]1(F)CC[NH2+]C1 ZINC000575625757 398034926 /nfs/dbraw/zinc/03/49/26/398034926.db2.gz MGMHOVXFWRALNV-GMSGAONNSA-N 1 0 218.272 0.357 10 0 BCAERO CCN1CC[C@H]([NH2+]C[C@@]2(OC)CCOC2)C1 ZINC000382041844 398039034 /nfs/dbraw/zinc/03/90/34/398039034.db2.gz ITCHAMWSEZMZDA-RYUDHWBXSA-N 1 0 228.336 0.476 10 0 BCAERO O[C@@H](c1cnsc1)[C@@H]1C[NH2+]CCS1 ZINC000575466997 397988197 /nfs/dbraw/zinc/98/81/97/397988197.db2.gz AELGUOHNVUAQCK-YUMQZZPRSA-N 1 0 216.331 0.882 10 0 BCAERO C[C@@H]1C[C@H](NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)[C@H](C)O1 ZINC000384559426 398096452 /nfs/dbraw/zinc/09/64/52/398096452.db2.gz HNHAJXUXBNZFFY-QGKZMRNZSA-N 1 0 226.320 0.796 10 0 BCAERO Cc1nccc(CNC(=O)[C@@H]2CCC[NH2+][C@H]2C)n1 ZINC000384365063 398083651 /nfs/dbraw/zinc/08/36/51/398083651.db2.gz GSEQIESMOGBGBL-JOYOIKCWSA-N 1 0 248.330 0.789 10 0 BCAERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)N(C)Cc1nc[nH]n1 ZINC000384403701 398087548 /nfs/dbraw/zinc/08/75/48/398087548.db2.gz PVBPJJDCEXKWSX-DTWKUNHWSA-N 1 0 237.307 0.151 10 0 BCAERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)N(C)Cc1ncc[nH]1 ZINC000384444907 398089669 /nfs/dbraw/zinc/08/96/69/398089669.db2.gz ZYOZNGLCZYDFOH-VHSXEESVSA-N 1 0 236.319 0.756 10 0 BCAERO [NH3+]CCCn1cc(-c2cncnc2)cn1 ZINC000389615838 398116701 /nfs/dbraw/zinc/11/67/01/398116701.db2.gz GMOYLXHRKGBROS-UHFFFAOYSA-N 1 0 203.249 0.689 10 0 BCAERO CC[N@@H+]1CC[C@H](NC(=O)c2ncccc2N)C1 ZINC000389641440 398117316 /nfs/dbraw/zinc/11/73/16/398117316.db2.gz LEHRQUAHIKMOHD-VIFPVBQESA-N 1 0 234.303 0.488 10 0 BCAERO CCN1CCO[C@H](C[NH2+][C@@H]2C[C@@H](C)O[C@H]2C)C1 ZINC000384946123 398118916 /nfs/dbraw/zinc/11/89/16/398118916.db2.gz RAKVIEYLAPIJOE-YVECIDJPSA-N 1 0 242.363 0.863 10 0 BCAERO CCN1CCO[C@H](C[NH2+][C@@H]2C[C@@H](C)O[C@@H]2C)C1 ZINC000384946114 398118921 /nfs/dbraw/zinc/11/89/21/398118921.db2.gz RAKVIEYLAPIJOE-FDYHWXHSSA-N 1 0 242.363 0.863 10 0 BCAERO CC[C@H](C)NS(=O)(=O)C1CC[NH2+]CC1 ZINC000049631979 171344261 /nfs/dbraw/zinc/34/42/61/171344261.db2.gz IUIZZVKIHDJLFV-QMMMGPOBSA-N 1 0 220.338 0.456 10 0 BCAERO C[C@@H]1[C@@H](O)CCC[N@@H+]1C[C@@H]1CCC(=O)N1 ZINC000384879471 398114936 /nfs/dbraw/zinc/11/49/36/398114936.db2.gz QLIRGUWHQRIZHX-UTLUCORTSA-N 1 0 212.293 0.110 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)N2C[C@H]([NH3+])C[C@H]2C)O1 ZINC000385094151 398132750 /nfs/dbraw/zinc/13/27/50/398132750.db2.gz NAUFPABBGFWRFB-ZYUZMQFOSA-N 1 0 212.293 0.502 10 0 BCAERO CC(C)NC(=O)C[NH2+]C[C@@H](O)COC(C)(C)C ZINC000037892292 167059683 /nfs/dbraw/zinc/05/96/83/167059683.db2.gz BJDBIPHIBBXRPF-SNVBAGLBSA-N 1 0 246.351 0.277 10 0 BCAERO CC(C)[NH2+]CC(=O)N1CCCC[C@H]1CO ZINC000037477180 167095297 /nfs/dbraw/zinc/09/52/97/167095297.db2.gz ZSXSLXTYIGZAFN-JTQLQIEISA-N 1 0 214.309 0.358 10 0 BCAERO COCCNC(=O)[C@H](C)[NH2+]CC1CC1 ZINC000034939919 174326717 /nfs/dbraw/zinc/32/67/17/174326717.db2.gz WRXSOMNGKRQFNW-QMMMGPOBSA-N 1 0 200.282 0.137 10 0 BCAERO CC(C)[NH2+]C[C@H](C)N1CCS(=O)CC1 ZINC000052516090 167112549 /nfs/dbraw/zinc/11/25/49/167112549.db2.gz HPNDEATWPNQQHJ-JTQLQIEISA-N 1 0 218.366 0.437 10 0 BCAERO CC(C)[NH2+]C[C@@]1(C)CCS(=O)(=O)C1 ZINC000054640428 167113402 /nfs/dbraw/zinc/11/34/02/167113402.db2.gz MKCSZECHYDTRCW-SECBINFHSA-N 1 0 205.323 0.809 10 0 BCAERO CSCC(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000129449963 175461102 /nfs/dbraw/zinc/46/11/02/175461102.db2.gz AHRHHFVELSNUJS-JGVFFNPUSA-N 1 0 202.323 0.606 10 0 BCAERO CC(C)N[C@@](C)(C[N@H+](C)C[C@@H]1C[C@@H]1C)C(N)=O ZINC000104425314 167137452 /nfs/dbraw/zinc/13/74/52/167137452.db2.gz QOKHCKCADXIOHC-GVXVVHGQSA-N 1 0 241.379 0.816 10 0 BCAERO CN(C[C@H](O)C[NH2+]C[C@@H](O)C(C)(C)C)C1CC1 ZINC000324238157 487562147 /nfs/dbraw/zinc/56/21/47/487562147.db2.gz AKLREDSGRMPJAL-VXGBXAGGSA-N 1 0 244.379 0.438 10 0 BCAERO CCCCOC[C@@H](O)C[NH2+][C@H]1CCOC1 ZINC000227894628 487562626 /nfs/dbraw/zinc/56/26/26/487562626.db2.gz AYTLCCHRBOYCFO-QWRGUYRKSA-N 1 0 217.309 0.543 10 0 BCAERO CCCCOC[C@H](O)C[NH2+]CC1(CO)CC1 ZINC000227895097 487562794 /nfs/dbraw/zinc/56/27/94/487562794.db2.gz DLICAFDEOHAVAL-LLVKDONJSA-N 1 0 231.336 0.526 10 0 BCAERO CC(C)OC1CC([NH2+][C@@H]2CCCNC2=O)C1 ZINC000336758279 167176726 /nfs/dbraw/zinc/17/67/26/167176726.db2.gz ZMNPHNZLHGLNKQ-VQXHTEKXSA-N 1 0 226.320 0.811 10 0 BCAERO CCN(CC[NH3+])c1ccc(C(=O)N(C)C)cn1 ZINC000095014875 487566307 /nfs/dbraw/zinc/56/63/07/487566307.db2.gz JHPHYMLPRHMYNZ-UHFFFAOYSA-N 1 0 236.319 0.568 10 0 BCAERO COCCOC[C@H](O)C[NH2+]C[C@@H](O)C(C)(C)C ZINC000324279924 487567520 /nfs/dbraw/zinc/56/75/20/487567520.db2.gz OHRHQDWPUDPBLY-GHMZBOCLSA-N 1 0 249.351 0.007 10 0 BCAERO C[C@@H](NC(=O)CC1([NH3+])CCC1)[C@H]1CCCO1 ZINC000086853255 487570281 /nfs/dbraw/zinc/57/02/81/487570281.db2.gz JKIPAEQGWWYACG-NXEZZACHSA-N 1 0 226.320 0.942 10 0 BCAERO C[C@H]([NH3+])CNC(=O)c1ccc(N(C)C)cc1 ZINC000082239020 487578261 /nfs/dbraw/zinc/57/82/61/487578261.db2.gz FBHNHDDADCNXOA-VIFPVBQESA-N 1 0 221.304 0.830 10 0 BCAERO CC(C)(C)[C@@H](O)CNC(=O)CCCC[NH3+] ZINC000324352064 487579681 /nfs/dbraw/zinc/57/96/81/487579681.db2.gz PEMZZILHOKXROS-VIFPVBQESA-N 1 0 216.325 0.639 10 0 BCAERO Cc1cc(NC(=O)[C@H]2CCC[NH2+]C2)n[nH]1 ZINC000082248145 487583058 /nfs/dbraw/zinc/58/30/58/487583058.db2.gz MTPSHFKQBLRICU-QMMMGPOBSA-N 1 0 208.265 0.656 10 0 BCAERO O[C@@]1(C[NH+]2CC(n3cccn3)C2)CCCOC1 ZINC000585570389 487586803 /nfs/dbraw/zinc/58/68/03/487586803.db2.gz KZROOEBFIMXPAY-GFCCVEGCSA-N 1 0 237.303 0.281 10 0 BCAERO C[NH+](C)[C@@H]1CCN(C(=O)Cc2cscn2)C1 ZINC000082283507 487587032 /nfs/dbraw/zinc/58/70/32/487587032.db2.gz GFSOKUSVAFSLGJ-SNVBAGLBSA-N 1 0 239.344 0.848 10 0 BCAERO C[C@H](NC(=O)[C@H]1CCC[NH2+]C1)c1nccn1C ZINC000082280844 487588791 /nfs/dbraw/zinc/58/87/91/487588791.db2.gz KRRCZPVAPGCGOU-UWVGGRQHSA-N 1 0 236.319 0.597 10 0 BCAERO COc1ncccc1C(=O)N1CC[C@H]([NH3+])[C@H]1C ZINC000383266634 487595579 /nfs/dbraw/zinc/59/55/79/487595579.db2.gz ISKBSENYSXWNNH-SCZZXKLOSA-N 1 0 235.287 0.652 10 0 BCAERO O=C1CC[C@@H]([NH2+]C2CSC2)C2(CCC2)N1 ZINC000308960081 487597209 /nfs/dbraw/zinc/59/72/09/487597209.db2.gz YXMXNCFURZNVGU-SECBINFHSA-N 1 0 226.345 0.893 10 0 BCAERO CC(C)S(=O)(=O)N1CCCC[C@H]1C[NH3+] ZINC000044556289 167319627 /nfs/dbraw/zinc/31/96/27/167319627.db2.gz TYDHINSEBIXLOL-VIFPVBQESA-N 1 0 220.338 0.538 10 0 BCAERO CC(C)S(=O)(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000061884132 167319680 /nfs/dbraw/zinc/31/96/80/167319680.db2.gz KAVCAMYCBYGSLK-BDAKNGLRSA-N 1 0 220.338 0.442 10 0 BCAERO C[NH2+][C@@H](C)C(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000306383399 487608226 /nfs/dbraw/zinc/60/82/26/487608226.db2.gz YHNLCGJRCJQLNA-HLTSFMKQSA-N 1 0 200.282 0.230 10 0 BCAERO Cc1cc(CN2CCO[C@@H]3C[NH2+]C[C@@H]32)no1 ZINC000662282620 409606783 /nfs/dbraw/zinc/60/67/83/409606783.db2.gz HYXMTWCFTAGJRL-WDEREUQCSA-N 1 0 223.276 0.156 10 0 BCAERO CC[C@@H]([NH2+]C)C(=O)NCCn1cc(C)cn1 ZINC000662466783 409725504 /nfs/dbraw/zinc/72/55/04/409725504.db2.gz ZDYDUFORHPJOHY-SNVBAGLBSA-N 1 0 224.308 0.306 10 0 BCAERO CC[NH2+][C@H](C)CNc1nnc(C)c(C)n1 ZINC000387458121 409746481 /nfs/dbraw/zinc/74/64/81/409746481.db2.gz AKGPTTZGVBGKOZ-SSDOTTSWSA-N 1 0 209.297 0.898 10 0 BCAERO CC(C)[C@@H]([NH3+])C(=O)N[C@H]1CCCOC1 ZINC000071023633 409761131 /nfs/dbraw/zinc/76/11/31/409761131.db2.gz YWSOMQRQASPWTM-DTWKUNHWSA-N 1 0 200.282 0.265 10 0 BCAERO O=C(CC1=CCCCC1)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000653138864 409861650 /nfs/dbraw/zinc/86/16/50/409861650.db2.gz MHGUEJPDUJFXAU-NEPJUHHUSA-N 1 0 238.331 0.573 10 0 BCAERO CC[N@H+](CCO)C[C@H]1CCC[C@H](O)C1 ZINC000308573504 409883465 /nfs/dbraw/zinc/88/34/65/409883465.db2.gz LNBXAHODFBPLGS-QWRGUYRKSA-N 1 0 201.310 0.852 10 0 BCAERO [NH3+][C@@H]1CCC[C@H](C(=O)N[C@H](CO)C2CCC2)C1 ZINC000662848727 409952492 /nfs/dbraw/zinc/95/24/92/409952492.db2.gz GIPVCFGCQBAENL-QJPTWQEYSA-N 1 0 240.347 0.781 10 0 BCAERO CN1CCO[C@@H](C[N@H+](C)CCC2(O)CCC2)C1 ZINC000662801323 409928265 /nfs/dbraw/zinc/92/82/65/409928265.db2.gz JMIZQUSZSQZDOU-LBPRGKRZSA-N 1 0 242.363 0.554 10 0 BCAERO O=C(CC[C@H]1CCC[NH2+]1)NCCOCCF ZINC000663004693 410022051 /nfs/dbraw/zinc/02/20/51/410022051.db2.gz REMRBFMENHGOPW-SNVBAGLBSA-N 1 0 232.299 0.621 10 0 BCAERO CC(C)(C)[C@@H](O)C[NH2+][C@@H]1COCC[C@H]1O ZINC000634729229 410047686 /nfs/dbraw/zinc/04/76/86/410047686.db2.gz BTMHQVSHFXKCFA-BBBLOLIVSA-N 1 0 217.309 0.133 10 0 BCAERO COC[C@H](C)NC(=O)C[C@@H]([NH3+])C(C)C ZINC000128859152 410083761 /nfs/dbraw/zinc/08/37/61/410083761.db2.gz HXVZTZYJXPCMLN-DTWKUNHWSA-N 1 0 202.298 0.511 10 0 BCAERO CCCc1nccnc1NC[C@H]1C[NH2+]C[C@H]1O ZINC000663271946 410091233 /nfs/dbraw/zinc/09/12/33/410091233.db2.gz IOBBQOIWRVWHRM-MWLCHTKSSA-N 1 0 236.319 0.421 10 0 BCAERO CCOC[C@@H](O)C[NH2+]C[C@@H](O)C(C)(C)C ZINC000309043077 410205969 /nfs/dbraw/zinc/20/59/69/410205969.db2.gz LBXKSCWVRCQUCM-VHSXEESVSA-N 1 0 219.325 0.380 10 0 BCAERO CCOC[C@@H](O)C[NH2+]C[C@H](O)C(C)(C)C ZINC000309043076 410206027 /nfs/dbraw/zinc/20/60/27/410206027.db2.gz LBXKSCWVRCQUCM-UWVGGRQHSA-N 1 0 219.325 0.380 10 0 BCAERO Cc1c(C(=O)N2CC[C@H]([NH3+])[C@H]2C)cnn1C ZINC000309177227 410270525 /nfs/dbraw/zinc/27/05/25/410270525.db2.gz DHXAOGDJMFVWGN-SCZZXKLOSA-N 1 0 222.292 0.290 10 0 BCAERO CC(C)C[C@@H]([NH3+])C(=O)NCCCCO ZINC000232602636 487614760 /nfs/dbraw/zinc/61/47/60/487614760.db2.gz DNWXVSXTGMOIKA-SECBINFHSA-N 1 0 202.298 0.249 10 0 BCAERO CCNC(=O)[C@H](C)NC(=O)C[C@@H]([NH3+])C(C)C ZINC000128931858 410365004 /nfs/dbraw/zinc/36/50/04/410365004.db2.gz IFBBFWQVEKAZAU-DTWKUNHWSA-N 1 0 229.324 0.001 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)Nc1nncs1 ZINC000128882510 410365782 /nfs/dbraw/zinc/36/57/82/410365782.db2.gz BXTUFKBTRKXTPE-ZCFIWIBFSA-N 1 0 214.294 0.850 10 0 BCAERO C[C@@H]1CN(C(=O)[C@H]2CCC[C@H]2C[NH3+])C[C@H](C)O1 ZINC000129478768 410374496 /nfs/dbraw/zinc/37/44/96/410374496.db2.gz BQBQMDPTIQAAKI-USZNOCQGSA-N 1 0 240.347 0.997 10 0 BCAERO CC(C)(C)C(=O)NCCOC1CC[NH2+]CC1 ZINC000082665415 166530040 /nfs/dbraw/zinc/53/00/40/166530040.db2.gz LNMOCVOIENPDNG-UHFFFAOYSA-N 1 0 228.336 0.917 10 0 BCAERO CC(C)(C)OC(=O)N1CCOC[C@@]12CC[NH2+]C2 ZINC000096028361 166650567 /nfs/dbraw/zinc/65/05/67/166650567.db2.gz FZPWDLBSDBPVHO-LBPRGKRZSA-N 1 0 242.319 0.986 10 0 BCAERO CCc1nnsc1C(=O)N1CC[C@@H]([NH3+])[C@@H]1C ZINC000309271190 410700547 /nfs/dbraw/zinc/70/05/47/410700547.db2.gz GFTCNFOLURRQIM-NKWVEPMBSA-N 1 0 240.332 0.662 10 0 BCAERO CC(C)(C)OC(=O)NC[C@H]1C[NH2+]CCN1 ZINC000201506865 166662719 /nfs/dbraw/zinc/66/27/19/166662719.db2.gz XWVBNGQHXQOIBF-MRVPVSSYSA-N 1 0 215.297 0.073 10 0 BCAERO FC1(CN2CC[C@H]3OCC[NH2+][C@@H]3C2)CC1 ZINC000393795063 410761080 /nfs/dbraw/zinc/76/10/80/410761080.db2.gz OMHFXVMFJGPRPG-NXEZZACHSA-N 1 0 214.284 0.551 10 0 BCAERO Cc1cnc(C(=O)N2CC[C@@H]([NH3+])[C@@H]2C)cn1 ZINC000309309122 410790280 /nfs/dbraw/zinc/79/02/80/410790280.db2.gz NTZYHPHCVMOXKT-DTWKUNHWSA-N 1 0 220.276 0.347 10 0 BCAERO COCC1(CNC(=O)[C@@H]2CCC[C@H]2C[NH3+])CC1 ZINC000655490579 410806564 /nfs/dbraw/zinc/80/65/64/410806564.db2.gz NUGKEPWBQXQHOT-WDEREUQCSA-N 1 0 240.347 0.904 10 0 BCAERO CC(C)CCNC(=O)[C@@H](C)[NH2+]C[C@H](O)C1CC1 ZINC000071305334 166851980 /nfs/dbraw/zinc/85/19/80/166851980.db2.gz KJBFXLWFAGJQEJ-PWSUYJOCSA-N 1 0 242.363 0.898 10 0 BCAERO C[C@@H]1C[N@H+](C[C@@H]2CCCN2C)CC[C@H]1O ZINC000395310863 410844130 /nfs/dbraw/zinc/84/41/30/410844130.db2.gz BELDZJVYCIYIQX-GRYCIOLGSA-N 1 0 212.337 0.783 10 0 BCAERO C[C@@H]1C[N@H+](C[C@H]2CCCN2C)CC[C@H]1O ZINC000395310865 410845026 /nfs/dbraw/zinc/84/50/26/410845026.db2.gz BELDZJVYCIYIQX-IJLUTSLNSA-N 1 0 212.337 0.783 10 0 BCAERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)N[C@@H]1CCSC1 ZINC000395232714 410845623 /nfs/dbraw/zinc/84/56/23/410845623.db2.gz CQWNGXAQHNZMSG-IVZWLZJFSA-N 1 0 228.361 0.996 10 0 BCAERO COc1cc(C)nc(NCCC2(C[NH3+])CC2)n1 ZINC000395927256 410868080 /nfs/dbraw/zinc/86/80/80/410868080.db2.gz CLUJZNYDPMABTC-UHFFFAOYSA-N 1 0 236.319 0.756 10 0 BCAERO C[C@H]([NH2+]CC[C@@H]1CCNC1=O)[C@@H]1CCCO1 ZINC000395958153 410868173 /nfs/dbraw/zinc/86/81/73/410868173.db2.gz IBHXQSFEMIGSQZ-AXFHLTTASA-N 1 0 226.320 0.670 10 0 BCAERO CC(C)(C)[C@H]([NH3+])C(=O)N[C@@H]1CCC[C@H](O)C1 ZINC000040462113 410873958 /nfs/dbraw/zinc/87/39/58/410873958.db2.gz WXTBQMUIAJLQBR-KXUCPTDWSA-N 1 0 228.336 0.780 10 0 BCAERO CC(C)COC(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000041059029 167020602 /nfs/dbraw/zinc/02/06/02/167020602.db2.gz GOQHZZJEIMOFKA-VIFPVBQESA-N 1 0 216.281 0.439 10 0 BCAERO CC(C)[N@H+]1C[C@H](NC(=O)c2ccn[nH]2)[C@@H](C)C1 ZINC000159018507 167034059 /nfs/dbraw/zinc/03/40/59/167034059.db2.gz DRIXMKSZXUINFH-ONGXEEELSA-N 1 0 236.319 0.868 10 0 BCAERO CC(C)NC(=O)CNC(=O)[C@H]1CC[C@H](C)[NH2+]C1 ZINC000036782048 167056544 /nfs/dbraw/zinc/05/65/44/167056544.db2.gz GKACGTIOZTUMDW-UWVGGRQHSA-N 1 0 241.335 0.015 10 0 BCAERO CC(C)NC(=O)CNC(=O)[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000036782049 167057279 /nfs/dbraw/zinc/05/72/79/167057279.db2.gz GKACGTIOZTUMDW-NXEZZACHSA-N 1 0 241.335 0.015 10 0 BCAERO CC(C)NC(=O)CNCC[C@@H]1CCCC[N@@H+]1C ZINC000049900811 167058686 /nfs/dbraw/zinc/05/86/86/167058686.db2.gz VRTWDQLKNIPPLL-LBPRGKRZSA-N 1 0 241.379 0.975 10 0 BCAERO CC(C)NC(=O)C[NH2+][C@H](C)C(=O)N1CCCC1 ZINC000035140970 167060864 /nfs/dbraw/zinc/06/08/64/167060864.db2.gz KHDQRSGOPJSKGA-SNVBAGLBSA-N 1 0 241.335 0.112 10 0 BCAERO CC(C)NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC000040457766 167081003 /nfs/dbraw/zinc/08/10/03/167081003.db2.gz AVTQIQAMXRKZLX-NSHDSACASA-N 1 0 222.288 0.787 10 0 BCAERO CC(C)[NH2+]CCCC(=O)N1CCC(CO)CC1 ZINC000037633110 167100120 /nfs/dbraw/zinc/10/01/20/167100120.db2.gz MTYPAPMKDCGBIB-UHFFFAOYSA-N 1 0 242.363 0.996 10 0 BCAERO CC(C)[NH2+]C[C@H](O)COC(=O)C(C)C ZINC000027714439 167114961 /nfs/dbraw/zinc/11/49/61/167114961.db2.gz SHTPXEZKTADGQI-VIFPVBQESA-N 1 0 203.282 0.545 10 0 BCAERO CC(C)[NH2+]C[C@@H](O)c1cc(=O)c(O)c[nH]1 ZINC000039097251 167111369 /nfs/dbraw/zinc/11/13/69/167111369.db2.gz HRYJAWPGIMUJGH-SECBINFHSA-N 1 0 212.249 0.112 10 0 BCAERO CC(C)[NH2+]C[C@@H](O)COc1ncccn1 ZINC000143317822 167112141 /nfs/dbraw/zinc/11/21/41/167112141.db2.gz LXAGZGFAXKNAON-SECBINFHSA-N 1 0 211.265 0.214 10 0 BCAERO CC(C)[NH2+]C[C@H](O)COc1cccnn1 ZINC000165466464 167115396 /nfs/dbraw/zinc/11/53/96/167115396.db2.gz FCHHWNIIBDEKBS-VIFPVBQESA-N 1 0 211.265 0.214 10 0 BCAERO Cc1nccc(C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)n1 ZINC000396935781 410905743 /nfs/dbraw/zinc/90/57/43/410905743.db2.gz QTGLDCMISRRYAL-HBNTYKKESA-N 1 0 246.314 0.594 10 0 BCAERO CC(C)[NH2+][C@@H](CCOC1CCOCC1)C(N)=O ZINC000062541992 167131407 /nfs/dbraw/zinc/13/14/07/167131407.db2.gz ZBVUQSQEHVVSGY-NSHDSACASA-N 1 0 244.335 0.424 10 0 BCAERO CC(C)[NH2+][C@@H](CCO)[C@@H]1CCCCN1 ZINC000095088315 167133067 /nfs/dbraw/zinc/13/30/67/167133067.db2.gz UUASSAQXYVIEGB-QWRGUYRKSA-N 1 0 200.326 0.878 10 0 BCAERO CC(C)[NH2+][C@@H]1CCC(=O)N[C@@H]1[C@@H]1CCCO1 ZINC000377739426 167134555 /nfs/dbraw/zinc/13/45/55/167134555.db2.gz HGPYWIONDKRHCQ-SCVCMEIPSA-N 1 0 226.320 0.811 10 0 BCAERO CC(C)[NH2+][C@H](CCOCCOC(C)C)C(N)=O ZINC000062545187 167137902 /nfs/dbraw/zinc/13/79/02/167137902.db2.gz VAMKMAJXRJVUKC-LLVKDONJSA-N 1 0 246.351 0.670 10 0 BCAERO CC(C)[NH2+][C@H](CCOC1CCOCC1)C(N)=O ZINC000062541993 167138468 /nfs/dbraw/zinc/13/84/68/167138468.db2.gz ZBVUQSQEHVVSGY-LLVKDONJSA-N 1 0 244.335 0.424 10 0 BCAERO CC(C)[NH2+][C@H](C(N)=O)c1cccc(O)c1 ZINC000037869402 167138840 /nfs/dbraw/zinc/13/88/40/167138840.db2.gz FRXJXYJHSHOUMA-JTQLQIEISA-N 1 0 208.261 0.917 10 0 BCAERO CC(C)N[C@H](C[N@H+](C)CC1CCCC1)C(N)=O ZINC000104358283 167141241 /nfs/dbraw/zinc/14/12/41/167141241.db2.gz LLTNXGABWWTLDK-GFCCVEGCSA-N 1 0 241.379 0.960 10 0 BCAERO CC(C)SCCC(=O)N1CC[NH2+]CC1 ZINC000053299729 167320547 /nfs/dbraw/zinc/32/05/47/167320547.db2.gz WJXRTFSZRMRGHI-UHFFFAOYSA-N 1 0 216.350 0.950 10 0 BCAERO CC(C)[C@@H](C)N(C)C(=O)[C@H](C)N1CC[NH2+]CC1 ZINC000036788218 167366401 /nfs/dbraw/zinc/36/64/01/167366401.db2.gz RGLMWKQERKLVPH-NEPJUHHUSA-N 1 0 241.379 0.783 10 0 BCAERO CC(C)[C@@H](C)[N@H+](C)C[C@H](O)Cn1cc(N)cn1 ZINC000036786587 167369104 /nfs/dbraw/zinc/36/91/04/167369104.db2.gz XPHNPIJOAKYCCI-PWSUYJOCSA-N 1 0 240.351 0.803 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)N[C@H](C)c1ncon1 ZINC000398018793 410939870 /nfs/dbraw/zinc/93/98/70/410939870.db2.gz SVOMYZWYJAPJMU-HTQZYQBOSA-N 1 0 226.280 0.620 10 0 BCAERO CC(C)[C@@H](C)[NH2+][C@@H](C)C(=O)N1CCOCC1 ZINC000020302357 167383887 /nfs/dbraw/zinc/38/38/87/167383887.db2.gz KMHDUQBHLPTYOM-MNOVXSKESA-N 1 0 228.336 0.868 10 0 BCAERO C[C@H](NC(=O)[C@H]1CCC[C@H]1C[NH3+])c1ncon1 ZINC000398011926 410940898 /nfs/dbraw/zinc/94/08/98/410940898.db2.gz MXEBVDCQBAOMOH-CIUDSAMLSA-N 1 0 238.291 0.622 10 0 BCAERO CC(C)[C@@H](C[NH3+])C(=O)N[C@H](C)c1nncn1C ZINC000050418468 167397356 /nfs/dbraw/zinc/39/73/56/167397356.db2.gz JYEUWYWNTYHBQX-RKDXNWHRSA-N 1 0 239.323 0.223 10 0 BCAERO CC(C)[C@@H](CO)[NH2+]C[C@H](O)C(C)(C)C ZINC000308516386 167407220 /nfs/dbraw/zinc/40/72/20/167407220.db2.gz FHCLHCDWIHMHML-ZJUUUORDSA-N 1 0 203.326 1.000 10 0 BCAERO CN(C[C@@H]1CCOC1)C(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000398854757 410992592 /nfs/dbraw/zinc/99/25/92/410992592.db2.gz TUMGKSWGICAXRQ-SDDRHHMPSA-N 1 0 240.347 0.856 10 0 BCAERO C[C@H]([NH3+])CC(=O)N(C)C[C@H]1CCCO1 ZINC000042465886 411005560 /nfs/dbraw/zinc/00/55/60/411005560.db2.gz IXOIMFAQQCBOCT-DTWKUNHWSA-N 1 0 200.282 0.361 10 0 BCAERO [NH3+][C@H](C(=O)N[C@H]1CCC[C@H](O)C1)C1CCC1 ZINC000398982481 411007307 /nfs/dbraw/zinc/00/73/07/411007307.db2.gz GPLMQEBOZXUDKV-DCAQKATOSA-N 1 0 226.320 0.534 10 0 BCAERO CC1(C)OCC[C@@H]1[NH2+]C1CCN(CCO)CC1 ZINC000399100131 411014794 /nfs/dbraw/zinc/01/47/94/411014794.db2.gz FTBCLQNDSZNAPD-LBPRGKRZSA-N 1 0 242.363 0.600 10 0 BCAERO COC[C@H]([NH3+])C(=O)N(C)CCC(C)(C)C ZINC000399702207 411059306 /nfs/dbraw/zinc/05/93/06/411059306.db2.gz AYUDGOTVTLPSMZ-VIFPVBQESA-N 1 0 216.325 0.855 10 0 BCAERO COC[C@H](C)NC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000300055292 411078924 /nfs/dbraw/zinc/07/89/24/411078924.db2.gz DAROTDLPOOTQHM-GUBZILKMSA-N 1 0 214.309 0.526 10 0 BCAERO c1nc2c(c(N3CC[C@@H]4C[NH2+]C[C@@H]43)n1)CCC2 ZINC000211898950 411141493 /nfs/dbraw/zinc/14/14/93/411141493.db2.gz IVTLRDVPBCDLEF-SKDRFNHKSA-N 1 0 230.315 0.763 10 0 BCAERO Cc1nccc(NCC2([NH3+])CCOCC2)n1 ZINC000630524727 411164357 /nfs/dbraw/zinc/16/43/57/411164357.db2.gz WKCJQFHBWGHIOS-UHFFFAOYSA-N 1 0 222.292 0.705 10 0 BCAERO C[C@@H]([NH3+])CCNC(=O)C1(C)CCOCC1 ZINC000309520606 411159716 /nfs/dbraw/zinc/15/97/16/411159716.db2.gz ZYPULQAZQMVJKI-SECBINFHSA-N 1 0 214.309 0.657 10 0 BCAERO C[C@H]1CN(Cc2nnn(C(C)(C)C)n2)C[C@H]1[NH3+] ZINC000655941118 411160579 /nfs/dbraw/zinc/16/05/79/411160579.db2.gz MPKPIRQHKSFMQY-DTWKUNHWSA-N 1 0 238.339 0.207 10 0 BCAERO CC[NH+](CC)[C@H]1CCN([C@@H]2COCC[C@@H]2O)C1 ZINC000062968212 169801886 /nfs/dbraw/zinc/80/18/86/169801886.db2.gz QQCAPFVEPAJNGY-XQQFMLRXSA-N 1 0 242.363 0.552 10 0 BCAERO C[NH2+]CCC(=O)N[C@H]1CCC[C@@H](O)C1 ZINC000043600201 411122831 /nfs/dbraw/zinc/12/28/31/411122831.db2.gz NECZOFFYHZKPOB-DTWKUNHWSA-N 1 0 200.282 0.016 10 0 BCAERO CNC(=O)CCC[N@@H+]1C[C@H](C)C[C@H](O)C1 ZINC000401901478 411170777 /nfs/dbraw/zinc/17/07/77/411170777.db2.gz MOWJIBHMIBPWLM-ZJUUUORDSA-N 1 0 214.309 0.215 10 0 BCAERO CC[N@H+](C)C[C@H](O)CN1C[C@H](C)C[C@H](O)C1 ZINC000401969623 411183809 /nfs/dbraw/zinc/18/38/09/411183809.db2.gz YEOCPPIBCNYRGN-WOPDTQHZSA-N 1 0 230.352 0.002 10 0 BCAERO CC(C)n1cc(N2C[C@H]([NH3+])CC2=O)cn1 ZINC000061684126 167754784 /nfs/dbraw/zinc/75/47/84/167754784.db2.gz OCEYWDRLTOTSRW-MRVPVSSYSA-N 1 0 208.265 0.528 10 0 BCAERO c1cn2c(n1)CN(C[C@H]1CC[NH2+]C1)CC2 ZINC000062252227 411197183 /nfs/dbraw/zinc/19/71/83/411197183.db2.gz LVENFXPZQTXYBR-JTQLQIEISA-N 1 0 206.293 0.308 10 0 BCAERO CN1C=CC(=c2nc3c(o2)=CC(=[NH2+])C=C3)C=C1 ZINC000409416125 411198419 /nfs/dbraw/zinc/19/84/19/411198419.db2.gz XLRWTUYEGPQGSV-UHFFFAOYSA-N 1 0 225.251 0.625 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)N1CCCOCC1 ZINC000129050107 411216782 /nfs/dbraw/zinc/21/67/82/411216782.db2.gz HLWUOICFTCJNMQ-SNVBAGLBSA-N 1 0 214.309 0.609 10 0 BCAERO COCCCN(C)C(=O)C[C@H]([NH3+])C(C)C ZINC000129051256 411216966 /nfs/dbraw/zinc/21/69/66/411216966.db2.gz SCTJFAKRLOGXQG-JTQLQIEISA-N 1 0 216.325 0.855 10 0 BCAERO O=C1NCC[C@H]1[NH2+][C@H]1CCCSCC1 ZINC000658056245 411222222 /nfs/dbraw/zinc/22/22/22/411222222.db2.gz VOBYWFVLIBRIAC-DTWKUNHWSA-N 1 0 214.334 0.750 10 0 BCAERO O=C1NCC[C@H]1[NH2+][C@@H]1CCCSCC1 ZINC000658056249 411222756 /nfs/dbraw/zinc/22/27/56/411222756.db2.gz VOBYWFVLIBRIAC-RKDXNWHRSA-N 1 0 214.334 0.750 10 0 BCAERO COC[C@@H]1CCN(C(=O)C[C@H]([NH3+])C(C)C)C1 ZINC000129095504 411223509 /nfs/dbraw/zinc/22/35/09/411223509.db2.gz JEOKILNSAOASBS-MNOVXSKESA-N 1 0 228.336 0.855 10 0 BCAERO CC(C)[C@H](C)NC(=O)COC1CC[NH2+]CC1 ZINC000049308965 411230908 /nfs/dbraw/zinc/23/09/08/411230908.db2.gz MDNMKPMYLYUHIC-JTQLQIEISA-N 1 0 228.336 0.916 10 0 BCAERO COc1cc(C[NH2+][C@@H]2CCC(=O)N[C@@H]2C)on1 ZINC000660478065 411231360 /nfs/dbraw/zinc/23/13/60/411231360.db2.gz MIPZLDXABLADGA-VXNVDRBHSA-N 1 0 239.275 0.440 10 0 BCAERO CC1(C)[C@H]([NH2+]C/C=C\CO)[C@@H]2CCO[C@@H]21 ZINC000658137765 411262524 /nfs/dbraw/zinc/26/25/24/411262524.db2.gz JIFOGFPUQVJVNN-RVFSKFDGSA-N 1 0 211.305 0.938 10 0 BCAERO CCN1CCN(C(=O)C[C@@H]([NH3+])C(C)C)CC1 ZINC000128876333 411269800 /nfs/dbraw/zinc/26/98/00/411269800.db2.gz SJRDCXDLQPAWBT-LLVKDONJSA-N 1 0 227.352 0.524 10 0 BCAERO Nc1cc([C@@H]2CCCN(CC[NH3+])CC2)[nH]n1 ZINC000616602447 411287459 /nfs/dbraw/zinc/28/74/59/411287459.db2.gz XPEBVRWCWJOPIK-SECBINFHSA-N 1 0 223.324 0.520 10 0 BCAERO C[C@@]1(C(=O)NCC[C@@H]2CCCO2)CC[NH2+]C1 ZINC000062897050 411329280 /nfs/dbraw/zinc/32/92/80/411329280.db2.gz HFFSYMAZXYIBLP-CMPLNLGQSA-N 1 0 226.320 0.671 10 0 BCAERO CCC[C@@H]1C[C@@H]1NC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000309854939 411295165 /nfs/dbraw/zinc/29/51/65/411295165.db2.gz ZYGMCHNTVRRMBY-UVOCVTCTSA-N 1 0 208.305 0.757 10 0 BCAERO COCCCNC(=O)C[C@@H]([NH3+])C(C)C ZINC000128891146 411296317 /nfs/dbraw/zinc/29/63/17/411296317.db2.gz BWNCQBOJQLFOGA-SECBINFHSA-N 1 0 202.298 0.513 10 0 BCAERO C[C@@H]1C[C@@H](O)C[N@H+](CC[C@@H]2CCNC2=O)C1 ZINC000401785359 411330608 /nfs/dbraw/zinc/33/06/08/411330608.db2.gz DAZJPGVZBZTDFS-OUAUKWLOSA-N 1 0 226.320 0.215 10 0 BCAERO Cc1cc(N(C)CC(C)(C)[NH3+])n2ncnc2n1 ZINC000656607878 411307424 /nfs/dbraw/zinc/30/74/24/411307424.db2.gz AKJURQLCHWMKEH-UHFFFAOYSA-N 1 0 234.307 0.606 10 0 BCAERO CN(CC(C)(C)[NH3+])c1nnnn1-c1ccccc1 ZINC000656608170 411307593 /nfs/dbraw/zinc/30/75/93/411307593.db2.gz CZORJWJKJVCGID-UHFFFAOYSA-N 1 0 246.318 0.836 10 0 BCAERO CCN(C(=O)[C@H]1CC[NH2+]C1)[C@@H]1CCCOC1 ZINC000402666525 411307634 /nfs/dbraw/zinc/30/76/34/411307634.db2.gz AYALDIKMPXHFGV-WDEREUQCSA-N 1 0 226.320 0.623 10 0 BCAERO COc1cc(C)nc(N(C)CC(C)(C)[NH3+])n1 ZINC000656608425 411307944 /nfs/dbraw/zinc/30/79/44/411307944.db2.gz DKPSODXVVLLRBP-UHFFFAOYSA-N 1 0 224.308 0.967 10 0 BCAERO COC(C)(C)[C@H](C)[NH2+]C[C@@H]1CC(=O)N(C)C1 ZINC000658239227 411308305 /nfs/dbraw/zinc/30/83/05/411308305.db2.gz CCGHIHMLGNLYHD-UWVGGRQHSA-N 1 0 228.336 0.868 10 0 BCAERO CN(CC(C)(C)[NH3+])c1ccc2nncn2n1 ZINC000656609786 411308611 /nfs/dbraw/zinc/30/86/11/411308611.db2.gz UVYHBEWVUWVFOT-UHFFFAOYSA-N 1 0 220.280 0.298 10 0 BCAERO [NH3+]CC12CC(C1)CN2c1ncc(F)cn1 ZINC000656610613 411308812 /nfs/dbraw/zinc/30/88/12/411308812.db2.gz GUJXOLGTCCJKSO-UHFFFAOYSA-N 1 0 208.240 0.543 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H](NC[C@H](O)C(C)(C)C)C1 ZINC000401741755 411310477 /nfs/dbraw/zinc/31/04/77/411310477.db2.gz HIEIVJJGHRHCDO-AXFHLTTASA-N 1 0 214.353 0.981 10 0 BCAERO C[N@@H+]1CCC[C@@H]1CNC(=O)n1ccnc1 ZINC000225944457 411312321 /nfs/dbraw/zinc/31/23/21/411312321.db2.gz YSBHRDPOKDBDLI-SECBINFHSA-N 1 0 208.265 0.535 10 0 BCAERO CC(C)(C(=O)NCC1CCC1)N1CC[NH2+]CC1 ZINC000131212759 411248949 /nfs/dbraw/zinc/24/89/49/411248949.db2.gz TXQMTSGQYAJKLZ-UHFFFAOYSA-N 1 0 239.363 0.587 10 0 BCAERO CCc1nnc(C)cc1C(=O)N1CC[C@H]([NH3+])[C@H]1C ZINC000310692787 411252228 /nfs/dbraw/zinc/25/22/28/411252228.db2.gz OJJBWTZIFJKWHC-KOLCDFICSA-N 1 0 248.330 0.909 10 0 BCAERO CN(C(=O)Cn1cc(C[NH3+])nn1)c1ccccc1 ZINC000050224799 411254110 /nfs/dbraw/zinc/25/41/10/411254110.db2.gz GOFAQSXGZQVESJ-UHFFFAOYSA-N 1 0 245.286 0.400 10 0 BCAERO C[C@@H](C(=O)NC1CCCC1)n1cc(C[NH3+])nn1 ZINC000050224640 411254817 /nfs/dbraw/zinc/25/48/17/411254817.db2.gz IXHFUAHMWIUVAF-QMMMGPOBSA-N 1 0 237.307 0.357 10 0 BCAERO COC[C@@H](C)NC(=O)C[C@H]([NH3+])C(C)C ZINC000128859773 411254799 /nfs/dbraw/zinc/25/47/99/411254799.db2.gz HXVZTZYJXPCMLN-BDAKNGLRSA-N 1 0 202.298 0.511 10 0 BCAERO CC1(C)CN(C(=O)N2CCOCC2)CC[C@H]1[NH3+] ZINC000336339750 167948898 /nfs/dbraw/zinc/94/88/98/167948898.db2.gz PRHIEJHJPDMAQO-SNVBAGLBSA-N 1 0 241.335 0.498 10 0 BCAERO CNC(=O)C(C)(C)C[NH2+]C[C@@H](O)C(C)(C)C ZINC000304238028 411355199 /nfs/dbraw/zinc/35/51/99/411355199.db2.gz MYENBWCXMXVARV-SECBINFHSA-N 1 0 230.352 0.755 10 0 BCAERO COC[C@@H](C[N@@H+]1CCC[C@@H]1CCCO)OC ZINC000659871023 411355797 /nfs/dbraw/zinc/35/57/97/411355797.db2.gz LDXJOXWJJTWYKQ-VXGBXAGGSA-N 1 0 231.336 0.885 10 0 BCAERO C[C@@H]1OCC[C@H]1NC(=O)[C@H]1CCCC[NH2+]1 ZINC000125344947 411364278 /nfs/dbraw/zinc/36/42/78/411364278.db2.gz KBOOQURDBJJESM-IVZWLZJFSA-N 1 0 212.293 0.422 10 0 BCAERO C[C@@H](O)CCC[N@@H+]1CC[C@H](N(C)C)C1 ZINC000062968086 411334806 /nfs/dbraw/zinc/33/48/06/411334806.db2.gz FWCJPQGOUSKYHG-MNOVXSKESA-N 1 0 200.326 0.783 10 0 BCAERO CC1(CNC(=O)C2(C[NH3+])CCOCC2)CC1 ZINC000232837065 168027620 /nfs/dbraw/zinc/02/76/20/168027620.db2.gz ABHJNLFNPWBXBE-UHFFFAOYSA-N 1 0 226.320 0.658 10 0 BCAERO CN(C[C@H]1CCCO1)C(=O)[C@@H]1CC[NH2+]C1 ZINC000062116419 411348985 /nfs/dbraw/zinc/34/89/85/411348985.db2.gz FPKCHYZIMQXULW-NXEZZACHSA-N 1 0 212.293 0.233 10 0 BCAERO C[C@H]([NH2+]C1CC(CO)C1)c1ccnn1C ZINC000658353278 411377872 /nfs/dbraw/zinc/37/78/72/411377872.db2.gz KLZOIMCSUFMUCJ-IDKOKCKLSA-N 1 0 209.293 0.842 10 0 BCAERO CC1=CC(=O)N([C@H]2CCCC[C@H]2[NH3+])C1=O ZINC000041054495 168092633 /nfs/dbraw/zinc/09/26/33/168092633.db2.gz HEPBKYHZCDMJEC-BDAKNGLRSA-N 1 0 208.261 0.571 10 0 BCAERO CC1CCC(C[NH3+])(NS(=O)(=O)N(C)C)CC1 ZINC000020431673 168152898 /nfs/dbraw/zinc/15/28/98/168152898.db2.gz GFVVGTSFQNTGNX-UHFFFAOYSA-N 1 0 249.380 0.290 10 0 BCAERO CC1CCC([NH2+][C@H]2CC(=O)NC2=O)CC1 ZINC000102669340 168165653 /nfs/dbraw/zinc/16/56/53/168165653.db2.gz SPSGVTVGBYALSA-HACHORDNSA-N 1 0 210.277 0.570 10 0 BCAERO CCC(=O)N1CCCN(C(=O)[C@@H](C)[NH2+]C)CC1 ZINC000054075725 168216872 /nfs/dbraw/zinc/21/68/72/168216872.db2.gz KZIUYYIDKYLWMY-SNVBAGLBSA-N 1 0 241.335 0.065 10 0 BCAERO O=C(NC[C@H]1CC[NH2+]C1)[C@H]1C[C@H]2C[C@H]2C1 ZINC000659304188 411391179 /nfs/dbraw/zinc/39/11/79/411391179.db2.gz MFOVTPJWDGNYMK-UKKRHICBSA-N 1 0 208.305 0.758 10 0 BCAERO COC[C@H](C)NC(=O)C1([NH3+])CC2(CCC2)C1 ZINC000659279210 411387281 /nfs/dbraw/zinc/38/72/81/411387281.db2.gz XWKYQTXNXNYCSZ-VIFPVBQESA-N 1 0 226.320 0.799 10 0 BCAERO c1cncc(CCN2CC[C@@H]3OCC[NH2+][C@H]3C2)c1 ZINC000404275495 411387670 /nfs/dbraw/zinc/38/76/70/411387670.db2.gz RTUCISOXYIZDLP-KBPBESRZSA-N 1 0 247.342 0.687 10 0 BCAERO CCC(C)(C)NC(=O)C[NH2+][C@H]1CCCNC1=O ZINC000050395761 168290393 /nfs/dbraw/zinc/29/03/93/168290393.db2.gz OIIRLCYRXNHZPS-VIFPVBQESA-N 1 0 241.335 0.159 10 0 BCAERO CCC(C)(C)NC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C)C1 ZINC000042547195 168294083 /nfs/dbraw/zinc/29/40/83/168294083.db2.gz SQWDDPUXJVLCSJ-GHMZBOCLSA-N 1 0 241.379 0.973 10 0 BCAERO CCC(C)(C)NC(=O)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000020433750 168294763 /nfs/dbraw/zinc/29/47/63/168294763.db2.gz IVJBUFGACWZJHO-SFYZADRCSA-N 1 0 200.282 0.014 10 0 BCAERO CCC(C)(C)NC(=O)[C@H]1C[C@@H](OC)C[NH2+]1 ZINC000040629332 168296959 /nfs/dbraw/zinc/29/69/59/168296959.db2.gz PBKRZAZDOHHWBC-RKDXNWHRSA-N 1 0 214.309 0.668 10 0 BCAERO COC[C@H](C)NC(=O)COC1CCC([NH3+])CC1 ZINC000055143313 411395041 /nfs/dbraw/zinc/39/50/41/411395041.db2.gz GDIAUQXMSFKQSJ-WHXUTIOJSA-N 1 0 244.335 0.424 10 0 BCAERO C[NH2+][C@H](C)C(=O)N[C@H](C)c1cscn1 ZINC000659343870 411400497 /nfs/dbraw/zinc/40/04/97/411400497.db2.gz ZJBUBPJDPQNBDE-RNFRBKRXSA-N 1 0 213.306 0.928 10 0 BCAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)NCCN1CCCC1=O ZINC000405423635 411428490 /nfs/dbraw/zinc/42/84/90/411428490.db2.gz ULFSYCKQNHZJTA-MWLCHTKSSA-N 1 0 241.335 0.098 10 0 BCAERO C[C@]1(C(=O)N[C@@H]2CCC[C@H](O)C2)CCC[NH2+]1 ZINC000070618863 411440609 /nfs/dbraw/zinc/44/06/09/411440609.db2.gz QCGOZPIZZIYOPI-JFGNBEQYSA-N 1 0 226.320 0.548 10 0 BCAERO C[C@H](NC(=O)[C@]1(C)CCC[NH2+]1)[C@@H]1CCCO1 ZINC000070618753 411441018 /nfs/dbraw/zinc/44/10/18/411441018.db2.gz UXFUBGLVCSIOTJ-NHCYSSNCSA-N 1 0 226.320 0.812 10 0 BCAERO CN(C[C@H]1CCCO1)C(=O)[C@@]1(C)CCC[NH2+]1 ZINC000070619121 411441299 /nfs/dbraw/zinc/44/12/99/411441299.db2.gz UHHCADSUGZXDQO-ZYHUDNBSSA-N 1 0 226.320 0.766 10 0 BCAERO C[C@H](NC(=O)CCC1C[NH2+]C1)[C@@H]1CCCO1 ZINC000637930092 411447288 /nfs/dbraw/zinc/44/72/88/411447288.db2.gz SQHBUSDJTQNLFW-ONGXEEELSA-N 1 0 226.320 0.670 10 0 BCAERO C[C@@H](O)C[NH2+][C@@H](C)c1nnc2n1CCCC2 ZINC000309897275 411447425 /nfs/dbraw/zinc/44/74/25/411447425.db2.gz GITBCNCQQQOPCG-BDAKNGLRSA-N 1 0 224.308 0.646 10 0 BCAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)CC(F)(F)F ZINC000306461661 411448270 /nfs/dbraw/zinc/44/82/70/411448270.db2.gz DVEBSYVPPLQXPR-PHDIDXHHSA-N 1 0 210.199 0.887 10 0 BCAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)NCCCn1ccnn1 ZINC000131252565 411448884 /nfs/dbraw/zinc/44/88/84/411448884.db2.gz CBNJTKWSHOKCIB-NXEZZACHSA-N 1 0 239.323 0.158 10 0 BCAERO O=C(C[C@H]1CCC[NH2+]C1)N[C@H]1CCCOC1 ZINC000071023751 411449171 /nfs/dbraw/zinc/44/91/71/411449171.db2.gz PEHLETKILSBKLV-MNOVXSKESA-N 1 0 226.320 0.671 10 0 BCAERO CC(C)[NH2+]CCC(=O)N[C@H]1CCCOC1 ZINC000071023812 411451205 /nfs/dbraw/zinc/45/12/05/411451205.db2.gz WLOWTQUXKIYNNN-JTQLQIEISA-N 1 0 214.309 0.670 10 0 BCAERO C[C@@H]1OCC[C@@H]1NC(=O)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000407319191 411478894 /nfs/dbraw/zinc/47/88/94/411478894.db2.gz ITOYRWUSAJFMPN-IXLVHKGHSA-N 1 0 238.331 0.811 10 0 BCAERO C[C@@H]1OCC[C@@H]1NC(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000407319199 411478902 /nfs/dbraw/zinc/47/89/02/411478902.db2.gz ITOYRWUSAJFMPN-VGDYDELISA-N 1 0 238.331 0.811 10 0 BCAERO O=C(N[C@@H]1CCCOC1)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000407371147 411482139 /nfs/dbraw/zinc/48/21/39/411482139.db2.gz URJAFASOLYQVSC-UTUOFQBUSA-N 1 0 238.331 0.812 10 0 BCAERO Cc1ncc(C[NH2+]C[C@@H]2CCC[C@@H]2O)n1C ZINC000657377749 411486477 /nfs/dbraw/zinc/48/64/77/411486477.db2.gz GANGJFJGUCEEDK-JQWIXIFHSA-N 1 0 223.320 0.979 10 0 BCAERO CCN(c1ccccc1)S(=O)(=O)CC[NH3+] ZINC000011584690 169943389 /nfs/dbraw/zinc/94/33/89/169943389.db2.gz PYMORYIVACTBDZ-UHFFFAOYSA-N 1 0 228.317 0.801 10 0 BCAERO Cc1ncc(C[NH2+][C@H]2CCO[C@@H]2C)n1C ZINC000657422272 411502710 /nfs/dbraw/zinc/50/27/10/411502710.db2.gz VJIMIAPVLSQSER-KCJUWKMLSA-N 1 0 209.293 0.996 10 0 BCAERO C[C@H](N[C@H]1C[N@H+](C)C[C@@H]1C)c1nncn1C ZINC000336750746 411510824 /nfs/dbraw/zinc/51/08/24/411510824.db2.gz UWTKQBQWGSMAPI-GUBZILKMSA-N 1 0 223.324 0.416 10 0 BCAERO CC[C@@H]1C[C@H]([NH2+][C@@H]2CCC(=O)N[C@@H]2C)CO1 ZINC000657457760 411520813 /nfs/dbraw/zinc/52/08/13/411520813.db2.gz CMQUNAZTGMEJJU-LMLFDSFASA-N 1 0 226.320 0.811 10 0 BCAERO CC[N@@H+]1CC[C@H](CNC(=O)c2c[nH]nc2N)C1 ZINC000037655361 170015132 /nfs/dbraw/zinc/01/51/32/170015132.db2.gz FQPVCFWDCXHURO-MRVPVSSYSA-N 1 0 237.307 0.064 10 0 BCAERO CC[N@@H+]1CCc2nc(N)c(OC)nc2CC1 ZINC000039102349 170024856 /nfs/dbraw/zinc/02/48/56/170024856.db2.gz NBZLFUKJJCZMKV-UHFFFAOYSA-N 1 0 222.292 0.488 10 0 BCAERO CC[N@@H+]1C[C@H](C)[C@H](NCc2nccn2C)C1 ZINC000309644277 170038448 /nfs/dbraw/zinc/03/84/48/170038448.db2.gz LTLHSTSEEHMXBX-WDEREUQCSA-N 1 0 222.336 0.850 10 0 BCAERO CCNC(=O)CN(C)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000049728222 170054689 /nfs/dbraw/zinc/05/46/89/170054689.db2.gz FFPFSWXNCDBANM-VHSXEESVSA-N 1 0 213.325 0.324 10 0 BCAERO CCNC(=O)CN(CC)c1cc(C[NH3+])ccn1 ZINC000042367099 170057374 /nfs/dbraw/zinc/05/73/74/170057374.db2.gz RAUQFJIDJGLIDM-UHFFFAOYSA-N 1 0 236.319 0.503 10 0 BCAERO CCNC(=O)CN1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000082643366 170060181 /nfs/dbraw/zinc/06/01/81/170060181.db2.gz KQEISMPGJOVVBC-NXEZZACHSA-N 1 0 213.325 0.182 10 0 BCAERO CCNC(=O)CNCC(C)(C)C[NH+](C)C ZINC000020043073 170064512 /nfs/dbraw/zinc/06/45/12/170064512.db2.gz LQHUEEDSFQHPBX-UHFFFAOYSA-N 1 0 215.341 0.300 10 0 BCAERO CCNC(=O)C[NH2+]C[C@@H]1CCCN1CC ZINC000020054257 170064871 /nfs/dbraw/zinc/06/48/71/170064871.db2.gz UJJFRTHGOXXIEO-JTQLQIEISA-N 1 0 213.325 0.196 10 0 BCAERO CCNC(=O)N1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000051359136 170073549 /nfs/dbraw/zinc/07/35/49/170073549.db2.gz VXIZTXTWEOANFE-VHSXEESVSA-N 1 0 211.309 0.932 10 0 BCAERO CCNC(=O)[C@@H](C)[NH2+]C1CCS(=O)CC1 ZINC000042336393 170087815 /nfs/dbraw/zinc/08/78/15/170087815.db2.gz CZCULUZYHSZIPV-WWKLZQHZSA-N 1 0 232.349 0.012 10 0 BCAERO CCNC(=O)[C@@H](C)[NH2+]CC(=O)N(CC)C1CC1 ZINC000049302726 170088121 /nfs/dbraw/zinc/08/81/21/170088121.db2.gz WLVBUSPTNPBWIY-SECBINFHSA-N 1 0 241.335 0.112 10 0 BCAERO CCNC(=O)[C@@H](C)N[C@H](C)[C@@H]1CCC[N@H+](C)C1 ZINC000036794715 170089065 /nfs/dbraw/zinc/08/90/65/170089065.db2.gz CLGLQNBIMAWYHA-IJLUTSLNSA-N 1 0 241.379 0.831 10 0 BCAERO CCNC(=O)[C@H](C)NC(=O)[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000049225245 170093171 /nfs/dbraw/zinc/09/31/71/170093171.db2.gz AABCRDPYJWCXRY-LPEHRKFASA-N 1 0 241.335 0.015 10 0 BCAERO CCNC(=O)[C@H](C)NC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000136146115 170094138 /nfs/dbraw/zinc/09/41/38/170094138.db2.gz LWBMPJRESMSQMN-JOYOIKCWSA-N 1 0 241.335 0.159 10 0 BCAERO CCNC(=O)[C@H](C)NC[C@H](C)C[NH+]1CCCC1 ZINC000062072003 170095026 /nfs/dbraw/zinc/09/50/26/170095026.db2.gz RNIAQRVHSLANTR-RYUDHWBXSA-N 1 0 241.379 0.833 10 0 BCAERO CCNC(=O)[C@H](C)[NH2+]C[C@H]1CCCOC1 ZINC000038045807 170095102 /nfs/dbraw/zinc/09/51/02/170095102.db2.gz BPYRIRBQNUEHCP-VHSXEESVSA-N 1 0 214.309 0.527 10 0 BCAERO CCNC(=O)[C@H](C)[NH2+]C[C@@H](O)COC(C)(C)C ZINC000049202049 170095106 /nfs/dbraw/zinc/09/51/06/170095106.db2.gz AFGXEPWZLSHZJN-VHSXEESVSA-N 1 0 246.351 0.277 10 0 BCAERO CCNC(=O)[C@H](C)[NH2+][C@H]1CN2CCC1CC2 ZINC000020306796 170095948 /nfs/dbraw/zinc/09/59/48/170095948.db2.gz GMDSESJDZAFKOX-ONGXEEELSA-N 1 0 225.336 0.195 10 0 BCAERO CCNC(=O)c1cc(N2CC[C@@H]([NH3+])C2)ccn1 ZINC000050244089 170099812 /nfs/dbraw/zinc/09/98/12/170099812.db2.gz SEIAPNYXRJYWEE-SECBINFHSA-N 1 0 234.303 0.369 10 0 BCAERO CC[NH2+]C(C)(C)C(=O)N1CCC[C@@H]1CO ZINC000061298975 170106573 /nfs/dbraw/zinc/10/65/73/170106573.db2.gz CNAXRPZUSGQOQV-SECBINFHSA-N 1 0 214.309 0.358 10 0 BCAERO CC[NH2+]C(C)(C)C(=O)Nc1nncs1 ZINC000061288206 170107449 /nfs/dbraw/zinc/10/74/49/170107449.db2.gz RBZVNWWSTSUVFH-UHFFFAOYSA-N 1 0 214.294 0.865 10 0 BCAERO CC[NH2+]C(C)(C)C(=O)Nc1ccn(C)n1 ZINC000061293196 170107862 /nfs/dbraw/zinc/10/78/62/170107862.db2.gz RXFSXVQSXYOANM-UHFFFAOYSA-N 1 0 210.281 0.747 10 0 BCAERO CC[NH2+]CC(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000044650357 170109967 /nfs/dbraw/zinc/10/99/67/170109967.db2.gz MIALZSYGXKFITM-GHMZBOCLSA-N 1 0 226.320 0.766 10 0 BCAERO CC[NH2+]C1CCN([C@H](C)C(=O)NC)CC1 ZINC000037469364 170110020 /nfs/dbraw/zinc/11/00/20/170110020.db2.gz FFRLMTYVTAWNNE-SECBINFHSA-N 1 0 213.325 0.195 10 0 BCAERO CC[NH2+]CCC(=O)NCc1ccc(OC)nc1 ZINC000061298582 170111788 /nfs/dbraw/zinc/11/17/88/170111788.db2.gz JZJUDOOKRUJRPT-UHFFFAOYSA-N 1 0 237.303 0.706 10 0 BCAERO CC[NH2+]CCC(=O)N1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000061296256 170112025 /nfs/dbraw/zinc/11/20/25/170112025.db2.gz ZJSRVCRXOOSTFJ-UWVGGRQHSA-N 1 0 241.335 0.098 10 0 BCAERO CC[NH2+]CCCNc1ccnc(C(=O)NC)c1 ZINC000038043414 170112352 /nfs/dbraw/zinc/11/23/52/170112352.db2.gz QECFVGHRDHGPBG-UHFFFAOYSA-N 1 0 236.319 0.853 10 0 BCAERO CCNC(=O)[C@H](C)N1CCC[C@@H](C[NH2+]CC)C1 ZINC000104427869 170120097 /nfs/dbraw/zinc/12/00/97/170120097.db2.gz CLKQNWINLCYSCP-RYUDHWBXSA-N 1 0 241.379 0.833 10 0 BCAERO CC[NH2+]C[C@H](C)C(=O)N(C)C[C@H](C)C(=O)OC ZINC000061265902 170121167 /nfs/dbraw/zinc/12/11/67/170121167.db2.gz MHDOQJNQIKBINH-UWVGGRQHSA-N 1 0 244.335 0.500 10 0 BCAERO CC[NH2+]C[C@H](C)C(=O)N1CCCOCC1 ZINC000061920614 170122234 /nfs/dbraw/zinc/12/22/34/170122234.db2.gz JSKXSBUSBTXIMG-JTQLQIEISA-N 1 0 214.309 0.481 10 0 BCAERO CC[NH2+]C[C@H](C)C(=O)N1CCC[C@H](O)C1 ZINC000061229419 170122265 /nfs/dbraw/zinc/12/22/65/170122265.db2.gz KFXYOWSUJKEVQH-UWVGGRQHSA-N 1 0 214.309 0.215 10 0 BCAERO CCN1CC[C@H]([NH2+][C@H](CO)c2ccccc2)C1=O ZINC000660179404 411552340 /nfs/dbraw/zinc/55/23/40/411552340.db2.gz ZYSOQVYHVOXICH-QWHCGFSZSA-N 1 0 248.326 0.930 10 0 BCAERO CC[NH2+]Cc1nnnn1-c1ccccc1F ZINC000054744928 170131193 /nfs/dbraw/zinc/13/11/93/170131193.db2.gz UGZWVYIODDBLRQ-UHFFFAOYSA-N 1 0 221.239 0.911 10 0 BCAERO CC[NH2+][C@@H](C(N)=O)c1c(C)nn(C)c1C ZINC000037945557 170137729 /nfs/dbraw/zinc/13/77/29/170137729.db2.gz ZDYWWMOCVQWRFV-SECBINFHSA-N 1 0 210.281 0.173 10 0 BCAERO CC[NH2+][C@@H](C)CC(=O)N1CCO[C@@H](C)C1 ZINC000061268736 170139221 /nfs/dbraw/zinc/13/92/21/170139221.db2.gz UTRJIWZIPVKTDR-UWVGGRQHSA-N 1 0 214.309 0.622 10 0 BCAERO CCN[C@@H](CC[N@@H+]1CCC[C@H](C)CC1)C(N)=O ZINC000104356407 170145226 /nfs/dbraw/zinc/14/52/26/170145226.db2.gz SFKSWLSIFLPTTL-RYUDHWBXSA-N 1 0 241.379 0.962 10 0 BCAERO CC[NH2+][C@@H]1CC(=O)N(C2CCCC2)C1=O ZINC000102668093 170149281 /nfs/dbraw/zinc/14/92/81/170149281.db2.gz FLEWXEYNFGPXKD-SECBINFHSA-N 1 0 210.277 0.666 10 0 BCAERO CC[NH2+][C@@H]1CCN(c2cnn(CC)c2)C1=O ZINC000049648209 170152938 /nfs/dbraw/zinc/15/29/38/170152938.db2.gz WVJWHEXWLUECAH-SNVBAGLBSA-N 1 0 222.292 0.618 10 0 BCAERO CC[NH2+][C@@H]1CCOC[C@@H]1N1CCN(C)CC1 ZINC000043810894 170153019 /nfs/dbraw/zinc/15/30/19/170153019.db2.gz WXQRKOACXDAWHF-NEPJUHHUSA-N 1 0 227.352 0.001 10 0 BCAERO CC[NH2+][C@H](C)CC(=O)N1CCC[C@@H]1C(=O)NC ZINC000061272814 170156760 /nfs/dbraw/zinc/15/67/60/170156760.db2.gz ZSLDSQWBHFATAE-NXEZZACHSA-N 1 0 241.335 0.112 10 0 BCAERO CC[NH2+][C@H](C)CC(=O)N1CCC[C@H](O)C1 ZINC000061269584 170156971 /nfs/dbraw/zinc/15/69/71/170156971.db2.gz IPPVJGAQEZNQJP-ZJUUUORDSA-N 1 0 214.309 0.358 10 0 BCAERO CC[NH2+][C@H](C)CC(=O)N1CCNC(=O)[C@@H]1CC ZINC000104142639 170157152 /nfs/dbraw/zinc/15/71/52/170157152.db2.gz GSOSVCDGAOLVTR-ZJUUUORDSA-N 1 0 241.335 0.112 10 0 BCAERO CCN[C@H](CC[NH+]1CCCCC1)C(N)=O ZINC000062441885 170161478 /nfs/dbraw/zinc/16/14/78/170161478.db2.gz GJHZRBCKZCRQDR-SNVBAGLBSA-N 1 0 213.325 0.326 10 0 BCAERO CC[NH2+][C@H]1CCC2(C[C@H]1N(C)C)OCCO2 ZINC000043816103 170165820 /nfs/dbraw/zinc/16/58/20/170165820.db2.gz KMZDAHAGUNFWIN-WDEREUQCSA-N 1 0 228.336 0.822 10 0 BCAERO CC[NH2+][C@H]1CC(=O)N(C2CCCC2)C1=O ZINC000036852972 170166095 /nfs/dbraw/zinc/16/60/95/170166095.db2.gz FLEWXEYNFGPXKD-VIFPVBQESA-N 1 0 210.277 0.666 10 0 BCAERO CC[NH2+][C@H]1CCC[C@@H]1CN1CCS(=O)CC1 ZINC000053873141 170167313 /nfs/dbraw/zinc/16/73/13/170167313.db2.gz ZDXDYIFHSVHRAS-NEPJUHHUSA-N 1 0 244.404 0.829 10 0 BCAERO CC[NH2+][C@H]1CCN(Cc2ccncc2)C1=O ZINC000049648607 170167979 /nfs/dbraw/zinc/16/79/79/170167979.db2.gz CKGOVGDQTDFJIT-NSHDSACASA-N 1 0 219.288 0.792 10 0 BCAERO CC[NH2+][C@H]1CCN(C[C@@H]2CCS(=O)(=O)C2)C1 ZINC000050602407 170168124 /nfs/dbraw/zinc/16/81/24/170168124.db2.gz ZUYMSRLUAUEILA-QWRGUYRKSA-N 1 0 246.376 0.105 10 0 BCAERO CCN[C@](C)(CN(C)CC[NH+](C)C)C(=O)OC ZINC000104193537 170170848 /nfs/dbraw/zinc/17/08/48/170170848.db2.gz VUUAMMAEFKHJPD-GFCCVEGCSA-N 1 0 245.367 0.021 10 0 BCAERO CCOC(=O)C(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000049561793 170184379 /nfs/dbraw/zinc/18/43/79/170184379.db2.gz SVYILGVZXBKHOM-SNVBAGLBSA-N 1 0 244.335 0.642 10 0 BCAERO COC[C@H](CC[NH2+]Cc1cnn(C)c1C)OC ZINC000657553770 411549167 /nfs/dbraw/zinc/54/91/67/411549167.db2.gz MDUXOTUSKWEZIR-LBPRGKRZSA-N 1 0 241.335 0.870 10 0 BCAERO CCOC(=O)C1(N2CCC[NH2+]CC2)CCC1 ZINC000052140382 170190716 /nfs/dbraw/zinc/19/07/16/170190716.db2.gz UIOYAEJHYHQQMK-UHFFFAOYSA-N 1 0 226.320 0.768 10 0 BCAERO CCOC(=O)C1(NCCOC)CC[NH+](C)CC1 ZINC000053257136 170190867 /nfs/dbraw/zinc/19/08/67/170190867.db2.gz HCCWDEKMOUBFOW-UHFFFAOYSA-N 1 0 244.335 0.250 10 0 BCAERO CCOC(=O)C1=CS[C@@H]([C@@H]2CCC[NH2+]2)N1 ZINC000100031842 170192092 /nfs/dbraw/zinc/19/20/92/170192092.db2.gz VJUSBXJRXDLBJX-CBAPKCEASA-N 1 0 228.317 0.805 10 0 BCAERO CCOC(=O)CC[N@H+](CCCOC)CCOC ZINC000042294971 170204365 /nfs/dbraw/zinc/20/43/65/170204365.db2.gz PVKVKEJNTFHDHV-UHFFFAOYSA-N 1 0 247.335 0.925 10 0 BCAERO CCOC(=O)CC[N@H+](CCOC)[C@H](C)COC ZINC000042294988 170204419 /nfs/dbraw/zinc/20/44/19/170204419.db2.gz KSPRZDAUWORMKC-LLVKDONJSA-N 1 0 247.335 0.923 10 0 BCAERO CCOC(=O)CN(C)C(=O)[C@@H]([NH3+])[C@H](C)CC ZINC000236834643 170213908 /nfs/dbraw/zinc/21/39/08/170213908.db2.gz RCVHATLXDMXQCJ-SCZZXKLOSA-N 1 0 230.308 0.381 10 0 BCAERO CCOC(=O)CN(C)[C@H]1CCC[NH2+]CC1 ZINC000226468341 170216111 /nfs/dbraw/zinc/21/61/11/170216111.db2.gz VVWIXMOBMKCAGN-JTQLQIEISA-N 1 0 214.309 0.623 10 0 BCAERO CCOC(=O)CS(=O)(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000261507502 170229491 /nfs/dbraw/zinc/22/94/91/170229491.db2.gz JFSCDKDNNCTHAJ-JTQLQIEISA-N 1 0 249.332 0.106 10 0 BCAERO CCOC(=O)N1CCN([C@@H](C)C[NH+](C)C)CC1 ZINC000022041740 170240015 /nfs/dbraw/zinc/24/00/15/170240015.db2.gz NXRUUXLLYDYIGC-NSHDSACASA-N 1 0 243.351 0.711 10 0 BCAERO CCOC(=O)N1CC[C@@H]([NH3+])[C@H](OC)C1 ZINC000023549727 170240319 /nfs/dbraw/zinc/24/03/19/170240319.db2.gz FIIGTSPAEONQHZ-HTQZYQBOSA-N 1 0 202.254 0.191 10 0 BCAERO CCOC(=O)N[C@H](C[NH3+])c1cccnc1 ZINC000019415360 170242932 /nfs/dbraw/zinc/24/29/32/170242932.db2.gz HXFRHLOIOSINQT-SECBINFHSA-N 1 0 209.249 0.828 10 0 BCAERO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000038343251 170259486 /nfs/dbraw/zinc/25/94/86/170259486.db2.gz IVCFRARIWGMGRC-PHDIDXHHSA-N 1 0 211.183 0.947 10 0 BCAERO CCOC(=O)[C@@](C)(C[N@@H+]1CCCOCC1)NC ZINC000061933559 170260327 /nfs/dbraw/zinc/26/03/27/170260327.db2.gz BMRNNUSDRBOMRJ-GFCCVEGCSA-N 1 0 244.335 0.250 10 0 BCAERO CCOC(=O)[C@H](C)C[NH2+][C@@H](C)c1nncn1C ZINC000050418184 170264626 /nfs/dbraw/zinc/26/46/26/170264626.db2.gz DRAVHEHWLQXRLD-BDAKNGLRSA-N 1 0 240.307 0.665 10 0 BCAERO CCOC(=O)[C@H](C)NC(=O)C[NH2+]C1CCCC1 ZINC000049375316 170267601 /nfs/dbraw/zinc/26/76/01/170267601.db2.gz HVRODDHHCIWRCE-VIFPVBQESA-N 1 0 242.319 0.586 10 0 BCAERO CCOC(=O)[C@H](C)NC(=O)CCC[NH2+]C(C)C ZINC000049375324 170267910 /nfs/dbraw/zinc/26/79/10/170267910.db2.gz WGJGCNKBICSFTR-JTQLQIEISA-N 1 0 244.335 0.832 10 0 BCAERO CCOC(=O)[C@H](N)CC[N@H+](C)CC(C)C ZINC000062444814 170274326 /nfs/dbraw/zinc/27/43/26/170274326.db2.gz PFPAMYNCYKUPIQ-SNVBAGLBSA-N 1 0 216.325 0.855 10 0 BCAERO CCOC(=O)[C@H](N)C[N@H+](C)CC1CC1 ZINC000045419859 170274804 /nfs/dbraw/zinc/27/48/04/170274804.db2.gz QZLXSLMHBRJQMS-SECBINFHSA-N 1 0 200.282 0.219 10 0 BCAERO CCOC(=O)[C@H](N)C[N@H+](C)C1CCCC1 ZINC000045384448 170274750 /nfs/dbraw/zinc/27/47/50/170274750.db2.gz IBNJEOMBEQVVMQ-SNVBAGLBSA-N 1 0 214.309 0.751 10 0 BCAERO CCOC(=O)[C@H]1CCCCN1C(=O)[C@H]([NH3+])CC ZINC000037825333 170279664 /nfs/dbraw/zinc/27/96/64/170279664.db2.gz ANDTWUFFCIVFRR-NXEZZACHSA-N 1 0 242.319 0.668 10 0 BCAERO CCOC(=O)c1c[nH]c(C2([NH3+])CCC2)n1 ZINC000037474826 170290277 /nfs/dbraw/zinc/29/02/77/170290277.db2.gz HBYNFBLRABZAJL-UHFFFAOYSA-N 1 0 209.249 0.924 10 0 BCAERO CCOC(=O)c1cnc2ncc(C[NH3+])n2c1 ZINC000095757453 170302665 /nfs/dbraw/zinc/30/26/65/170302665.db2.gz SMSNRSFAGZIKOE-UHFFFAOYSA-N 1 0 220.232 0.365 10 0 BCAERO CCOC(=O)c1cnn(CC[NH+](C)C)c1C ZINC000063126540 170304965 /nfs/dbraw/zinc/30/49/65/170304965.db2.gz HVGLDRCYFRFLMC-UHFFFAOYSA-N 1 0 225.292 0.930 10 0 BCAERO CCOCC(=O)N(C)[C@H]1CCC[NH2+]C1 ZINC000037470131 170339399 /nfs/dbraw/zinc/33/93/99/170339399.db2.gz VVDHGZWWJOKPOE-VIFPVBQESA-N 1 0 200.282 0.233 10 0 BCAERO CCOCC(=O)N1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000051358487 170340511 /nfs/dbraw/zinc/34/05/11/170340511.db2.gz UEDJWRMYEKHUSF-QWRGUYRKSA-N 1 0 226.320 0.766 10 0 BCAERO CCOCC(=O)N1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000051358489 170340810 /nfs/dbraw/zinc/34/08/10/170340810.db2.gz UEDJWRMYEKHUSF-MNOVXSKESA-N 1 0 226.320 0.766 10 0 BCAERO CCOCCC(=O)N1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000053733696 170360429 /nfs/dbraw/zinc/36/04/29/170360429.db2.gz XSBXXFFAKNJAFB-FGWVZKOKSA-N 1 0 226.320 0.894 10 0 BCAERO CCOCCCN1CCC(=O)[C@H](C(=O)OC)C1 ZINC000049783408 170371855 /nfs/dbraw/zinc/37/18/55/170371855.db2.gz VYMJSCLLGUCWBN-SNVBAGLBSA-N 1 0 243.303 0.477 10 0 BCAERO CCOCCCN1C[C@@H](C)O[C@H](C[NH3+])C1 ZINC000071519824 170374508 /nfs/dbraw/zinc/37/45/08/170374508.db2.gz PVRFZHGKWFPWIT-GHMZBOCLSA-N 1 0 216.325 0.461 10 0 BCAERO CCOCCCNC(=O)[C@H]1CC[C@H](C)[NH2+]C1 ZINC000019507928 170378707 /nfs/dbraw/zinc/37/87/07/170378707.db2.gz MSIPALYPMGQMRQ-QWRGUYRKSA-N 1 0 228.336 0.917 10 0 BCAERO CCOCC[N@@H+]1CCN(C(N)=O)C[C@@H]1CC ZINC000117021860 170399967 /nfs/dbraw/zinc/39/99/67/170399967.db2.gz ORHHYBCNDWKQKF-JTQLQIEISA-N 1 0 229.324 0.498 10 0 BCAERO Cc1noc(C)c1C[NH2+]C[C@H]1CC(=O)N(C)C1 ZINC000657694341 411580573 /nfs/dbraw/zinc/58/05/73/411580573.db2.gz KDRCWEARBDYDRN-SNVBAGLBSA-N 1 0 237.303 0.859 10 0 BCAERO CC[C@@H]1C[C@H]([NH2+]C[C@H]2CC(=O)N(C)C2)CO1 ZINC000657696345 411581349 /nfs/dbraw/zinc/58/13/49/411581349.db2.gz HREMEWLHYSNOQM-OUAUKWLOSA-N 1 0 226.320 0.622 10 0 BCAERO Cc1c(C[NH2+]C[C@@H]2CC(=O)N(C)C2)cnn1C ZINC000657696175 411581356 /nfs/dbraw/zinc/58/13/56/411581356.db2.gz SLHHZPZTPFLNMH-JTQLQIEISA-N 1 0 236.319 0.296 10 0 BCAERO CCn1cc(C[NH2+]C2CC(CO)C2)cn1 ZINC000657812344 411603696 /nfs/dbraw/zinc/60/36/96/411603696.db2.gz JAMPPPPUZZAHAA-UHFFFAOYSA-N 1 0 209.293 0.764 10 0 BCAERO Cc1ccc(O)c(C[NH2+]C2CC(CO)C2)n1 ZINC000657812792 411604421 /nfs/dbraw/zinc/60/44/21/411604421.db2.gz OGTIPQBWSUZYDV-UHFFFAOYSA-N 1 0 222.288 0.956 10 0 BCAERO CC[NH2+][C@H](C)CNc1nc(C)cc(C)n1 ZINC000387696359 411649055 /nfs/dbraw/zinc/64/90/55/411649055.db2.gz WIEPPUJIYGFZKE-SNVBAGLBSA-N 1 0 208.309 1.503 10 0 BCAERO O[C@H]1C[NH2+]C[C@H]1CNc1ccc(Cl)cn1 ZINC000420253289 411696920 /nfs/dbraw/zinc/69/69/20/411696920.db2.gz PLBBBTVEHQEARG-CBAPKCEASA-N 1 0 227.695 0.727 10 0 BCAERO O[C@H]1C[NH2+]C[C@@H]1CNc1ncnc2ccccc21 ZINC000643040304 411697607 /nfs/dbraw/zinc/69/76/07/411697607.db2.gz QSDLRPWIJUCUCC-SKDRFNHKSA-N 1 0 244.298 0.622 10 0 BCAERO c1cc2c(ncnc2NC[C@@H]2COCC[NH2+]2)[nH]1 ZINC000630533685 411703179 /nfs/dbraw/zinc/70/31/79/411703179.db2.gz VUBQUMCBGLWKGU-MRVPVSSYSA-N 1 0 233.275 0.358 10 0 BCAERO Cc1nc(NC[C@@H]2C[NH2+]CCCO2)sc1C ZINC000390188550 411748952 /nfs/dbraw/zinc/74/89/52/411748952.db2.gz GSZBAJSEHNKDCO-JTQLQIEISA-N 1 0 241.360 1.550 10 0 BCAERO Cc1nc(NC[C@@H]2C[NH2+]C[C@@H]2O)sc1C ZINC000420260092 411749084 /nfs/dbraw/zinc/74/90/84/411749084.db2.gz ZLPRHXZDVWCUPH-IUCAKERBSA-N 1 0 227.333 0.752 10 0 BCAERO CCS(=O)(=O)Nc1cccc(OCC[NH3+])c1 ZINC000020224672 170620922 /nfs/dbraw/zinc/62/09/22/170620922.db2.gz KIQWMNMAGCQYDM-UHFFFAOYSA-N 1 0 244.316 0.786 10 0 BCAERO CC[C@]1(C(=O)N[C@@H]2CCC[C@@H](O)C2)CCC[NH2+]1 ZINC000219635863 411793857 /nfs/dbraw/zinc/79/38/57/411793857.db2.gz FRTSRXRWZFOWHK-NQBHXWOUSA-N 1 0 240.347 0.938 10 0 BCAERO CCc1csc(NC[C@@H]2C[NH2+]CCCO2)n1 ZINC000390210127 411783627 /nfs/dbraw/zinc/78/36/27/411783627.db2.gz LDPZUUWHQMOLNR-JTQLQIEISA-N 1 0 241.360 1.496 10 0 BCAERO CCOc1nccnc1N[C@H](CC[NH3+])C(F)F ZINC000582350821 411719774 /nfs/dbraw/zinc/71/97/74/411719774.db2.gz JELGNOMOUBRLLN-SSDOTTSWSA-N 1 0 246.261 1.270 10 0 BCAERO CCOc1nccnc1NC[C@H](C)C[NH3+] ZINC000579099341 411719957 /nfs/dbraw/zinc/71/99/57/411719957.db2.gz BMBNYFHZACGHAD-MRVPVSSYSA-N 1 0 210.281 0.882 10 0 BCAERO CCOc1nccnc1NC[C@H]1CC[NH2+]C1 ZINC000643025368 411721009 /nfs/dbraw/zinc/72/10/09/411721009.db2.gz JEPOQRXHCLNOAU-VIFPVBQESA-N 1 0 222.292 0.897 10 0 BCAERO Cc1nnc(N[C@H](CC[NH3+])C(F)F)s1 ZINC000383475489 411799074 /nfs/dbraw/zinc/79/90/74/411799074.db2.gz NDJLPWFMTLUBOW-RXMQYKEDSA-N 1 0 222.264 1.241 10 0 BCAERO Cc1nnc(NCCC[NH2+]C(C)C)nc1C ZINC000578491293 411801355 /nfs/dbraw/zinc/80/13/55/411801355.db2.gz OSWRQOMEKQEHGT-UHFFFAOYSA-N 1 0 223.324 1.288 10 0 BCAERO Cc1nnc2c(N[C@@H]3CC[C@H](C[NH3+])C3)nccn12 ZINC000382484573 411805380 /nfs/dbraw/zinc/80/53/80/411805380.db2.gz YSVDOSDXGGOESD-VHSXEESVSA-N 1 0 246.318 0.972 10 0 BCAERO C[C@@H](Nc1ccc(C#N)nn1)[C@@H]1CCC[NH2+]C1 ZINC000396900039 411828988 /nfs/dbraw/zinc/82/89/88/411828988.db2.gz XDRMFOFZPQXMLT-NXEZZACHSA-N 1 0 231.303 1.148 10 0 BCAERO C[C@@H]1CC[C@@H](Nc2nccn(C)c2=O)C[NH2+]1 ZINC000630533870 411837317 /nfs/dbraw/zinc/83/73/17/411837317.db2.gz GKJZGXMOZQBVLS-RKDXNWHRSA-N 1 0 222.292 0.333 10 0 BCAERO C[C@@H]1CC[NH2+]C[C@@H]1Nc1ccc(C#N)nn1 ZINC000396940355 411837985 /nfs/dbraw/zinc/83/79/85/411837985.db2.gz TUYONYIYKPHZCJ-SCZZXKLOSA-N 1 0 217.276 0.758 10 0 BCAERO CCN1CC[NH2+]C[C@@H]1c1ccnc(N)c1 ZINC000616637766 411858009 /nfs/dbraw/zinc/85/80/09/411858009.db2.gz RALBEXUAFRTXDH-SNVBAGLBSA-N 1 0 206.293 0.630 10 0 BCAERO C[C@@H]1C[C@H](O)CC[N@@H+]1Cc1ccnc(N)c1 ZINC000639939845 411912025 /nfs/dbraw/zinc/91/20/25/411912025.db2.gz MPQZUKRJCGXMMN-MWLCHTKSSA-N 1 0 221.304 1.009 10 0 BCAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)NCC(F)F ZINC000133737211 411926345 /nfs/dbraw/zinc/92/63/45/411926345.db2.gz QTFFENQHCLUAGV-RNFRBKRXSA-N 1 0 206.236 0.743 10 0 BCAERO CC[C@@H](CO)NC(=O)C1([NH3+])CCCCC1 ZINC000035605060 170835882 /nfs/dbraw/zinc/83/58/82/170835882.db2.gz LDOIDINYWRBQQR-VIFPVBQESA-N 1 0 214.309 0.535 10 0 BCAERO CC[C@@H](COC)[NH2+][C@@H]1CCc2ncnn2C1 ZINC000118972217 170849787 /nfs/dbraw/zinc/84/97/87/170849787.db2.gz AMHYFHQBGYTGJX-VHSXEESVSA-N 1 0 224.308 0.608 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)N(C)CC[C@H](C)O ZINC000219742261 411883532 /nfs/dbraw/zinc/88/35/32/411883532.db2.gz UYEYRDMRQAEGHL-VHSXEESVSA-N 1 0 216.325 0.589 10 0 BCAERO CC[C@@H]([NH3+])C(=O)N1CCC(C(=O)N(C)C)CC1 ZINC000037810404 170861743 /nfs/dbraw/zinc/86/17/43/170861743.db2.gz NHTLUAOZCKXSGA-SNVBAGLBSA-N 1 0 241.335 0.051 10 0 BCAERO Nc1n[nH]cc1[C@@H]1CCCCCN1CC[NH3+] ZINC000616625513 411975551 /nfs/dbraw/zinc/97/55/51/411975551.db2.gz OWFPOYBNXXOGIT-JTQLQIEISA-N 1 0 223.324 0.868 10 0 BCAERO Nc1cc([C@H]2CCCCCN2CC[NH3+])[nH]n1 ZINC000616625255 411976590 /nfs/dbraw/zinc/97/65/90/411976590.db2.gz XJCCYBXHNFGBKS-SNVBAGLBSA-N 1 0 223.324 0.868 10 0 BCAERO [NH3+]C1CCC(C(=O)NCC2(CO)CC2)CC1 ZINC000132493939 412008542 /nfs/dbraw/zinc/00/85/42/412008542.db2.gz LENVFESCTXAMMW-UHFFFAOYSA-N 1 0 226.320 0.393 10 0 BCAERO Nc1cc([C@@H]2COCCC[N@@H+]2CCO)ccn1 ZINC000616597801 411946760 /nfs/dbraw/zinc/94/67/60/411946760.db2.gz SPTKLSYQMMABPT-NSHDSACASA-N 1 0 237.303 0.420 10 0 BCAERO Nc1cc([C@@H]2CCC[N@@H+]2CCO)ccn1 ZINC000616608437 411947357 /nfs/dbraw/zinc/94/73/57/411947357.db2.gz VEVCLEWAFARCPK-JTQLQIEISA-N 1 0 207.277 0.793 10 0 BCAERO Nc1ccc([C@@H]2CCOCC[N@@H+]2CCO)cn1 ZINC000616596974 411960742 /nfs/dbraw/zinc/96/07/42/411960742.db2.gz BQVRYVDUPGODJP-NSHDSACASA-N 1 0 237.303 0.420 10 0 BCAERO Nc1ccc([C@H]2COCC[N@H+](CCO)C2)cn1 ZINC000616658266 411960851 /nfs/dbraw/zinc/96/08/51/411960851.db2.gz CNDKIEPSDXCEJB-LLVKDONJSA-N 1 0 237.303 0.072 10 0 BCAERO CC[C@@H](c1noc(COC)n1)N1CC[NH2+]CC1 ZINC000104436246 170956965 /nfs/dbraw/zinc/95/69/65/170956965.db2.gz RJIPRZUHUYSVMV-VIFPVBQESA-N 1 0 240.307 0.572 10 0 BCAERO [NH3+]C[C@@H]1CCCN1CCO[C@@H]1CC1(F)F ZINC000662244698 412042094 /nfs/dbraw/zinc/04/20/94/412042094.db2.gz JTASGPQKCJQDIY-DTWKUNHWSA-N 1 0 220.263 0.834 10 0 BCAERO CC[C@@H]1CN(C(=O)C2(C[NH3+])CC2)CCO1 ZINC000082641898 171061788 /nfs/dbraw/zinc/06/17/88/171061788.db2.gz WPZRJHWRTLSDCS-SECBINFHSA-N 1 0 212.293 0.363 10 0 BCAERO CC[C@@H]1COCCN1C(=O)[C@@H]([NH3+])CC(C)C ZINC000036326665 171104131 /nfs/dbraw/zinc/10/41/31/171104131.db2.gz APPMSXLBQYGHLK-MNOVXSKESA-N 1 0 228.336 0.997 10 0 BCAERO CC[C@@H]1CO[C@@H](C)CN1C(=O)C(C)(C)[NH3+] ZINC000040920824 171108022 /nfs/dbraw/zinc/10/80/22/171108022.db2.gz NGHPBQCDZPSTHB-DTWKUNHWSA-N 1 0 214.309 0.750 10 0 BCAERO CC[C@@H]1CSC(NCC(=O)NC)=N1 ZINC000035295342 171114136 /nfs/dbraw/zinc/11/41/36/171114136.db2.gz FZSQZOUOVUXNCS-ZCFIWIBFSA-N 1 0 201.295 0.203 10 0 BCAERO CC[C@@](C)(O)C[N@H+](C)C[C@@H](C)C(=O)OC ZINC000119486832 171177624 /nfs/dbraw/zinc/17/76/24/171177624.db2.gz ZUIAYZIRENXKMG-MWLCHTKSSA-N 1 0 217.309 0.888 10 0 BCAERO CC[C@@]1(C)NC(=O)N(CC2CC[NH2+]CC2)C1=O ZINC000043497774 171209235 /nfs/dbraw/zinc/20/92/35/171209235.db2.gz IMWPTUBCRAJJNK-GFCCVEGCSA-N 1 0 239.319 0.707 10 0 BCAERO CC[C@H](C(N)=O)[N@@H+]1CCCC[C@@H]1CC(=O)OC ZINC000061678736 171242392 /nfs/dbraw/zinc/24/23/92/171242392.db2.gz GNFIBCNEJRQYHN-NXEZZACHSA-N 1 0 242.319 0.668 10 0 BCAERO C(CN1CCO[C@@H]2C[NH2+]C[C@@H]21)C1CCC1 ZINC000662283073 412074784 /nfs/dbraw/zinc/07/47/84/412074784.db2.gz KIAOFMZTWDDBQY-NWDGAFQWSA-N 1 0 210.321 0.849 10 0 BCAERO CC[C@H](C)N(C)S(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000037110671 171310281 /nfs/dbraw/zinc/31/02/81/171310281.db2.gz DTDZBGXYXWTPTN-VHSXEESVSA-N 1 0 234.365 0.799 10 0 BCAERO CC[C@H](C)NC(=O)CC[NH2+]CCCC(=O)OC ZINC000038014510 171322176 /nfs/dbraw/zinc/32/21/76/171322176.db2.gz GANSCKVTLXIBDO-JTQLQIEISA-N 1 0 244.335 0.834 10 0 BCAERO CC[C@H](C)NC(=O)CC[NH2+]CCCOC ZINC000038014732 171322455 /nfs/dbraw/zinc/32/24/55/171322455.db2.gz JBTRLAZSBOSYAI-JTQLQIEISA-N 1 0 216.325 0.917 10 0 BCAERO CC[C@H](C)NC(=O)CC[NH2+]CC(=O)N(C)CC ZINC000038014508 171322678 /nfs/dbraw/zinc/32/26/78/171322678.db2.gz MGZZLHBOXBTHTL-JTQLQIEISA-N 1 0 243.351 0.359 10 0 BCAERO CC[C@H](C)[NH2+]CC(=O)NCC(=O)NC(C)(C)C ZINC000037617002 171339702 /nfs/dbraw/zinc/33/97/02/171339702.db2.gz XNNBLPCFQVTCHA-VIFPVBQESA-N 1 0 243.351 0.405 10 0 BCAERO CC[C@H](C)[NH2+]CC(=O)N1CCOC[C@H]1C ZINC000037479788 171339917 /nfs/dbraw/zinc/33/99/17/171339917.db2.gz ADBGKDYQICRDFX-VHSXEESVSA-N 1 0 214.309 0.622 10 0 BCAERO CC[C@H](C)[NH2+][C@H]1CC(=O)N(C2CC2)C1=O ZINC000036850877 171348989 /nfs/dbraw/zinc/34/89/89/171348989.db2.gz JFFQDNMVJHLDPC-CBAPKCEASA-N 1 0 210.277 0.664 10 0 BCAERO CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@@H](C)C(=O)OC ZINC000237073314 171370720 /nfs/dbraw/zinc/37/07/20/171370720.db2.gz AMKRAOIQPLHPLN-DJLDLDEBSA-N 1 0 230.308 0.285 10 0 BCAERO CC[C@H](C)[C@H]([NH3+])C(=O)NCCC[C@@H](C)CO ZINC000226698287 171394295 /nfs/dbraw/zinc/39/42/95/171394295.db2.gz BGAMEXRPJXWDBQ-VWYCJHECSA-N 1 0 230.352 0.885 10 0 BCAERO CC[C@H](C)[C@H]([NH3+])C(=O)N1CCn2ccnc2C1 ZINC000062254576 171394556 /nfs/dbraw/zinc/39/45/56/171394556.db2.gz CTVWTCINZUDBMM-ONGXEEELSA-N 1 0 236.319 0.599 10 0 BCAERO CC[C@H](C)[C@H]([NH3+])C(=O)NCCSCCCO ZINC000182495824 171395982 /nfs/dbraw/zinc/39/59/82/171395982.db2.gz JKMILMWVTXXZFD-UWVGGRQHSA-N 1 0 248.392 0.592 10 0 BCAERO CC[C@H](C)[C@H]([NH3+])C(=O)Nc1cnccn1 ZINC000040461867 171397108 /nfs/dbraw/zinc/39/71/08/171397108.db2.gz KYLGFRFKCBOTLV-CBAPKCEASA-N 1 0 208.265 0.789 10 0 BCAERO CC[C@H]([NH2+]C)C(=O)N1CCC[C@H](NC(C)=O)C1 ZINC000662387863 412139748 /nfs/dbraw/zinc/13/97/48/412139748.db2.gz LOXYQYWWTBWJQW-QWRGUYRKSA-N 1 0 241.335 0.112 10 0 BCAERO CC[C@H](C[NH3+])C(=O)N1CCCOCC1 ZINC000061918843 171430601 /nfs/dbraw/zinc/43/06/01/171430601.db2.gz NHSMUYMNSJUMCB-SECBINFHSA-N 1 0 200.282 0.220 10 0 BCAERO CC[C@H]([NH2+]C)C(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000662342525 412111861 /nfs/dbraw/zinc/11/18/61/412111861.db2.gz HRMBEZNFGGFJLY-BBBLOLIVSA-N 1 0 214.309 0.620 10 0 BCAERO CC[C@H](C[NH2+]C)N1CCS(=O)CC1 ZINC000052516108 171436669 /nfs/dbraw/zinc/43/66/69/171436669.db2.gz WTCUCQMHANPRGL-SECBINFHSA-N 1 0 204.339 0.049 10 0 BCAERO CC[C@H](C[NH2+]C[C@H]1CCCO1)C(N)=O ZINC000083422345 171437603 /nfs/dbraw/zinc/43/76/03/171437603.db2.gz LAQCKXPOGYLUDO-RKDXNWHRSA-N 1 0 200.282 0.267 10 0 BCAERO CC(=O)N[C@@H]1CCN(C(=O)C[C@H]([NH3+])C(C)C)C1 ZINC000134199588 412124725 /nfs/dbraw/zinc/12/47/25/412124725.db2.gz SWIDZHVXWSXQPO-MNOVXSKESA-N 1 0 241.335 0.097 10 0 BCAERO CC[C@@H]([NH2+]C)C(=O)N1CCS[C@@H](C)C1 ZINC000662444586 412177556 /nfs/dbraw/zinc/17/75/56/412177556.db2.gz IYABIIGCUXUENB-DTWKUNHWSA-N 1 0 216.350 0.948 10 0 BCAERO C[C@@]1(CNc2ccc(C#N)nn2)CCC[NH2+]C1 ZINC000396967160 412178105 /nfs/dbraw/zinc/17/81/05/412178105.db2.gz JTUPZEKTDNENFM-GFCCVEGCSA-N 1 0 231.303 1.150 10 0 BCAERO CC[C@H]([NH2+]C)C(=O)N1CCn2ccnc2C1 ZINC000662468143 412184307 /nfs/dbraw/zinc/18/43/07/412184307.db2.gz ASIGVSLHCVODSW-VIFPVBQESA-N 1 0 222.292 0.223 10 0 BCAERO C[C@H](O)CCNC(=O)C1([NH3+])CC2(CCC2)C1 ZINC000662472019 412187709 /nfs/dbraw/zinc/18/77/09/412187709.db2.gz SQSYJPUOIOACFI-VIFPVBQESA-N 1 0 226.320 0.535 10 0 BCAERO CC[C@H]([NH3+])Cc1noc(-c2cnn(C)c2)n1 ZINC000054184507 171486617 /nfs/dbraw/zinc/48/66/17/171486617.db2.gz DHEOKYFUWKDJGO-QMMMGPOBSA-N 1 0 221.264 0.750 10 0 BCAERO CCn1cc(CN[C@H](C)[C@H]2CCC[NH2+]C2)nn1 ZINC000665245903 412190672 /nfs/dbraw/zinc/19/06/72/412190672.db2.gz UNDKYUYHQOWSSI-MNOVXSKESA-N 1 0 237.351 0.776 10 0 BCAERO CCn1cc(CN[C@@H](C)[C@@H]2CCC[NH2+]C2)nn1 ZINC000665245905 412191028 /nfs/dbraw/zinc/19/10/28/412191028.db2.gz UNDKYUYHQOWSSI-WDEREUQCSA-N 1 0 237.351 0.776 10 0 BCAERO O=C(C[C@H]1CC[NH2+]C1)NC[C@@H]1CCCC[C@H]1O ZINC000662488924 412192874 /nfs/dbraw/zinc/19/28/74/412192874.db2.gz AQPCBMHMVINJOX-GRYCIOLGSA-N 1 0 240.347 0.653 10 0 BCAERO [NH3+][C@H]1C[C@H](C(=O)N[C@@H]2CCC[C@@H](O)C2)C1 ZINC000662495502 412195313 /nfs/dbraw/zinc/19/53/13/412195313.db2.gz MELOCFHBQVASIY-ZYUZMQFOSA-N 1 0 212.293 0.143 10 0 BCAERO CN(C[C@@H]1CC[N@H+](C)C1)C(=O)c1ncccc1N ZINC000132692429 412199018 /nfs/dbraw/zinc/19/90/18/412199018.db2.gz WDNQICDXPJZSBL-SNVBAGLBSA-N 1 0 248.330 0.688 10 0 BCAERO CN(C)c1nccc(N[C@H](CC[NH3+])C(F)F)n1 ZINC000394797937 412200702 /nfs/dbraw/zinc/20/07/02/412200702.db2.gz KUNGGCSPFINRNQ-SSDOTTSWSA-N 1 0 245.277 0.937 10 0 BCAERO [NH3+][C@H]1C[C@H](C(=O)NC[C@@H]2CCC[C@H]2O)C1 ZINC000662549323 412212264 /nfs/dbraw/zinc/21/22/64/412212264.db2.gz QXOKMCQZQZRSAF-AATLWQCWSA-N 1 0 212.293 0.001 10 0 BCAERO Cn1ncc(Cl)c1C(=O)N1CCC[C@H]1C[NH3+] ZINC000662425169 412165180 /nfs/dbraw/zinc/16/51/80/412165180.db2.gz BEPRTCPZPHECBV-ZETCQYMHSA-N 1 0 242.710 0.637 10 0 BCAERO COC[C@H](CC[NH2+][C@@H](C)[C@H]1CC[NH2+]C1)OC ZINC000665235770 412174776 /nfs/dbraw/zinc/17/47/76/412174776.db2.gz ZRKRYBUZCBIHTG-SRVKXCTJSA-N 1 0 230.352 0.626 10 0 BCAERO [NH3+]CC12CC(C1)CN2C(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000662683980 412270651 /nfs/dbraw/zinc/27/06/51/412270651.db2.gz UZDXJWFIFUTQNZ-ISVGESTQSA-N 1 0 220.316 0.982 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N1CC[C@@H]2COC[C@H]2C1 ZINC000662713832 412280120 /nfs/dbraw/zinc/28/01/20/412280120.db2.gz ZDNFEWCCQMOOGP-MXWKQRLJSA-N 1 0 226.320 0.609 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N1CC[C@H]2COC[C@H]2C1 ZINC000662713829 412280327 /nfs/dbraw/zinc/28/03/27/412280327.db2.gz ZDNFEWCCQMOOGP-AXFHLTTASA-N 1 0 226.320 0.609 10 0 BCAERO CCS(=O)(=O)C1(CNC2CC[NH2+]CC2)CC1 ZINC000665275266 412218562 /nfs/dbraw/zinc/21/85/62/412218562.db2.gz GKHCFTSHRCMLKB-UHFFFAOYSA-N 1 0 246.376 0.295 10 0 BCAERO CO[C@H](C(=O)N1C[C@H](C)[C@H]([NH3+])C1)C1CCC1 ZINC000662572789 412225314 /nfs/dbraw/zinc/22/53/14/412225314.db2.gz ZGYJNBFPIXOKRY-GDPRMGEGSA-N 1 0 226.320 0.607 10 0 BCAERO C[C@H]1CN(C(=O)[C@H]2C[C@H]3C[C@H]3C2)C[C@H]1[NH3+] ZINC000662574241 412226110 /nfs/dbraw/zinc/22/61/10/412226110.db2.gz YCNPQLHGXQLEET-FBDQPXRJSA-N 1 0 208.305 0.838 10 0 BCAERO CCC(C)(C)[C@H](C)NC(=O)[C@H]([NH3+])COC ZINC000662626407 412247118 /nfs/dbraw/zinc/24/71/18/412247118.db2.gz NKHYJWMGKXLRAP-DTWKUNHWSA-N 1 0 216.325 0.901 10 0 BCAERO C[C@H](CN[C@H]1CCC[NH2+]CC1)S(C)(=O)=O ZINC000665299847 412248342 /nfs/dbraw/zinc/24/83/42/412248342.db2.gz UICXXRFQTXHVLX-ZJUUUORDSA-N 1 0 234.365 0.151 10 0 BCAERO CC[C@H](C)[C@@H]([NH3+])C(=O)NCC[C@@H](C)[NH+](C)C ZINC000662629654 412248972 /nfs/dbraw/zinc/24/89/72/412248972.db2.gz AWLRUFBIOJGVHU-HBNTYKKESA-N 1 0 229.368 0.816 10 0 BCAERO C[C@H](CCNC(=O)[C@@H]1CC(F)(F)CN1)[NH+](C)C ZINC000662635045 412250944 /nfs/dbraw/zinc/25/09/44/412250944.db2.gz UMYLPPCCWJNAPM-BDAKNGLRSA-N 1 0 249.305 0.440 10 0 BCAERO C[C@H](CCNC(=O)[C@H]1CC(F)(F)CN1)[NH+](C)C ZINC000662635048 412251010 /nfs/dbraw/zinc/25/10/10/412251010.db2.gz UMYLPPCCWJNAPM-RKDXNWHRSA-N 1 0 249.305 0.440 10 0 BCAERO CNc1ccnc(C2CC[NH+](C)CC2)n1 ZINC000575602305 412312759 /nfs/dbraw/zinc/31/27/59/412312759.db2.gz YCKOQWBPILKNAH-UHFFFAOYSA-N 1 0 206.293 1.328 10 0 BCAERO CC(C)c1cc(NC[C@@H]2C[NH2+]C[C@H]2O)ncn1 ZINC000420248321 412321344 /nfs/dbraw/zinc/32/13/44/412321344.db2.gz IBFDJOCAGKKPEH-GXSJLCMTSA-N 1 0 236.319 0.592 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)N[C@H](CO)C1CCC1 ZINC000662849469 412321517 /nfs/dbraw/zinc/32/15/17/412321517.db2.gz MODGVPDNBVIYEQ-QJPTWQEYSA-N 1 0 240.347 0.639 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N(C)C1(COC)CC1 ZINC000662850191 412322133 /nfs/dbraw/zinc/32/21/33/412322133.db2.gz OMNZZFRUPGUIPX-VIFPVBQESA-N 1 0 214.309 0.751 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)N[C@H](CO)C1CCC1 ZINC000662853949 412323942 /nfs/dbraw/zinc/32/39/42/412323942.db2.gz QYUCTMMRBHSIFE-GHMZBOCLSA-N 1 0 228.336 0.637 10 0 BCAERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)N[C@H](CO)C1CCC1 ZINC000662855115 412324427 /nfs/dbraw/zinc/32/44/27/412324427.db2.gz VRRKOSRDZQORHO-MVWJERBFSA-N 1 0 240.347 0.652 10 0 BCAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N[C@@H](CO)C1CCC1 ZINC000662855104 412324716 /nfs/dbraw/zinc/32/47/16/412324716.db2.gz VRRKOSRDZQORHO-DLOVCJGASA-N 1 0 240.347 0.652 10 0 BCAERO CC[C@H](C)[C@@H]([NH3+])C(=O)NC/C=C/CO ZINC000662856424 412325985 /nfs/dbraw/zinc/32/59/85/412325985.db2.gz TUKZHNHBJSZTDV-HYNBTVFTSA-N 1 0 200.282 0.025 10 0 BCAERO CC1(CNc2ccc(C#N)nn2)CC[NH2+]CC1 ZINC000396994282 412331030 /nfs/dbraw/zinc/33/10/30/412331030.db2.gz ZBNMSMWGLGKOSQ-UHFFFAOYSA-N 1 0 231.303 1.150 10 0 BCAERO CC(F)(F)CNC(=O)[C@H]1CCC[NH2+]C1 ZINC000662898213 412338760 /nfs/dbraw/zinc/33/87/60/412338760.db2.gz LQNOACYPTPXOKM-ZETCQYMHSA-N 1 0 206.236 0.757 10 0 BCAERO O=C([C@@H]1C[NH2+]CCOC1)N1CC[C@H]2C[C@H]2C1 ZINC000662913853 412343931 /nfs/dbraw/zinc/34/39/31/412343931.db2.gz NPSGQTDDRUVQKU-GARJFASQSA-N 1 0 224.304 0.091 10 0 BCAERO CC[C@]1(C(=O)NCc2cc[nH]n2)CCC[NH2+]C1 ZINC000062859636 171711036 /nfs/dbraw/zinc/71/10/36/171711036.db2.gz IUEUCQAOBWLOTB-LBPRGKRZSA-N 1 0 236.319 0.806 10 0 BCAERO CCC[NH2+]CCNc1ncnc2[nH]ccc21 ZINC000420211269 412357006 /nfs/dbraw/zinc/35/70/06/412357006.db2.gz FGOOFZJAYCHQOP-UHFFFAOYSA-N 1 0 219.292 1.369 10 0 BCAERO CC[C@]1(C)NC(=O)N(C[C@H]2CCC[NH2+]2)C1=O ZINC000043495909 171722278 /nfs/dbraw/zinc/72/22/78/171722278.db2.gz CJTUGNNAHKIUDG-KCJUWKMLSA-N 1 0 225.292 0.459 10 0 BCAERO CN(C(=O)[C@@H]1CCOC1)[C@@H](C[NH3+])C(F)(F)F ZINC000662978675 412362241 /nfs/dbraw/zinc/36/22/41/412362241.db2.gz RBXIUAYGEURUPU-RQJHMYQMSA-N 1 0 240.225 0.371 10 0 BCAERO CCCOCC(=O)N(C)[C@H](C[NH3+])C(F)(F)F ZINC000662981922 412363112 /nfs/dbraw/zinc/36/31/12/412363112.db2.gz GRVSXPMLPQTDNL-SSDOTTSWSA-N 1 0 242.241 0.761 10 0 BCAERO C[NH2+]CCOCCNc1nc(C)cc(OC)n1 ZINC000630529541 412291823 /nfs/dbraw/zinc/29/18/23/412291823.db2.gz ADRAREJVYHIUBU-UHFFFAOYSA-N 1 0 240.307 0.442 10 0 BCAERO CC(C)[C@@H]([NH3+])CC(=O)NCCOCCF ZINC000663002301 412365703 /nfs/dbraw/zinc/36/57/03/412365703.db2.gz CWNPSXAOLYKOCV-VIFPVBQESA-N 1 0 220.288 0.462 10 0 BCAERO CC(C)[N@@H+]1CCOC[C@H](Nc2cc[nH]n2)C1 ZINC000616660739 412296126 /nfs/dbraw/zinc/29/61/26/412296126.db2.gz PUUIQIZNQILXLK-SNVBAGLBSA-N 1 0 224.308 0.931 10 0 BCAERO CC(C)N1CCO[C@@H](Nc2cc[nH]n2)C1 ZINC000616646333 412296760 /nfs/dbraw/zinc/29/67/60/412296760.db2.gz ZZDAKIATRYTOJY-SNVBAGLBSA-N 1 0 210.281 0.888 10 0 BCAERO [NH3+]CCN1CCC[C@@H](Nc2cc[nH]n2)C1 ZINC000616620827 412299474 /nfs/dbraw/zinc/29/94/74/412299474.db2.gz OAKKZTFHUJSVPP-SECBINFHSA-N 1 0 209.297 0.245 10 0 BCAERO [NH3+]CCN1CCC[C@H](Nc2cc[nH]n2)CC1 ZINC000616629792 412299477 /nfs/dbraw/zinc/29/94/77/412299477.db2.gz UUPOCQHYCYNIPG-JTQLQIEISA-N 1 0 223.324 0.635 10 0 BCAERO COc1cc(N2CCO[C@@H]([C@@H](C)[NH3+])C2)ncn1 ZINC000132944836 412374194 /nfs/dbraw/zinc/37/41/94/412374194.db2.gz HWIOPOJKEXAYEF-RKDXNWHRSA-N 1 0 238.291 0.038 10 0 BCAERO Cc1nnc(NCC23CC(C2)C[NH2+]3)nc1C ZINC000663275323 412405268 /nfs/dbraw/zinc/40/52/68/412405268.db2.gz DSUNFIZBMXPVIR-UHFFFAOYSA-N 1 0 219.292 0.652 10 0 BCAERO CC(C)[C@H]([NH3+])CCNc1ccc2nnnn2n1 ZINC000663276496 412406532 /nfs/dbraw/zinc/40/65/32/412406532.db2.gz ZXSLUYCSUZSYIP-MRVPVSSYSA-N 1 0 235.295 0.305 10 0 BCAERO CCOc1nccnc1N[C@H](C)C[NH2+]C ZINC000663278359 412407542 /nfs/dbraw/zinc/40/75/42/412407542.db2.gz GZYZTUPUZVWKCR-MRVPVSSYSA-N 1 0 210.281 0.895 10 0 BCAERO CCOc1nccnc1N[C@@H](C)C[NH2+]C ZINC000663278360 412407547 /nfs/dbraw/zinc/40/75/47/412407547.db2.gz GZYZTUPUZVWKCR-QMMMGPOBSA-N 1 0 210.281 0.895 10 0 BCAERO C[NH2+]C[C@@H](C)Nc1ccc2nncn2n1 ZINC000663278434 412407681 /nfs/dbraw/zinc/40/76/81/412407681.db2.gz IKGXCGSKMKFQLM-SSDOTTSWSA-N 1 0 206.253 0.144 10 0 BCAERO [NH3+][C@@H]1CC[C@H](C(=O)NCC2(CO)CC2)C1 ZINC000133102449 412410147 /nfs/dbraw/zinc/41/01/47/412410147.db2.gz NJUDTTWNAUKPSN-DTWKUNHWSA-N 1 0 212.293 0.003 10 0 BCAERO CO[C@@H](C[NH2+][C@@H]1CCNC1=O)C1CCCC1 ZINC000663305564 412412779 /nfs/dbraw/zinc/41/27/79/412412779.db2.gz JOFJIANOIOCJOY-MNOVXSKESA-N 1 0 226.320 0.670 10 0 BCAERO CC(C)(C)[C@H](O)CNC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000324505476 487623829 /nfs/dbraw/zinc/62/38/29/487623829.db2.gz LRUNUWPCZYSJRS-KXUCPTDWSA-N 1 0 228.336 0.637 10 0 BCAERO CCc1ncc2c(n1)CN(C(=O)C[C@H](C)[NH3+])C2 ZINC000071761229 172024292 /nfs/dbraw/zinc/02/42/92/172024292.db2.gz JIOHKTZXVLJLHM-QMMMGPOBSA-N 1 0 234.303 0.619 10 0 BCAERO CCc1nccn1[C@H]1COCC[C@H]1[NH2+]C ZINC000044036635 172029655 /nfs/dbraw/zinc/02/96/55/172029655.db2.gz LCCYDTLZUMRTNY-ZJUUUORDSA-N 1 0 209.293 0.995 10 0 BCAERO CCc1ncnc(NCC[NH2+]CCOC)c1F ZINC000234166840 172031618 /nfs/dbraw/zinc/03/16/18/172031618.db2.gz ZZSSTUWIURKVLM-UHFFFAOYSA-N 1 0 242.298 0.826 10 0 BCAERO CCc1nnc(CN(C)C2CC[NH2+]CC2)o1 ZINC000036301495 172047517 /nfs/dbraw/zinc/04/75/17/172047517.db2.gz DERURTIMFSNXNT-UHFFFAOYSA-N 1 0 224.308 0.816 10 0 BCAERO CCc1nnc(CN2CCC[C@@H]([NH3+])C2)o1 ZINC000041029926 172049400 /nfs/dbraw/zinc/04/94/00/172049400.db2.gz CUEMSVIYDMVKAX-MRVPVSSYSA-N 1 0 210.281 0.555 10 0 BCAERO CCc1nnc(CN2C[C@@H](O)[C@@H](CC)C2)n1C ZINC000341061778 172049464 /nfs/dbraw/zinc/04/94/64/172049464.db2.gz XYPCHKUCPODQTK-VHSXEESVSA-N 1 0 238.335 0.580 10 0 BCAERO CCc1noc(C)c1-c1nnc2n1CC[NH2+]CC2 ZINC000095930154 172074126 /nfs/dbraw/zinc/07/41/26/172074126.db2.gz WTODCGKNRJADRM-UHFFFAOYSA-N 1 0 247.302 0.950 10 0 BCAERO CCc1nsc(N(C)[C@@H](C)C[NH3+])n1 ZINC000125474920 172103497 /nfs/dbraw/zinc/10/34/97/172103497.db2.gz TYLZUPJKLFUXTB-LURJTMIESA-N 1 0 200.311 0.884 10 0 BCAERO CCn1c(=O)[nH]nc1S[C@H]1CCC[NH2+]C1 ZINC000061606979 172147908 /nfs/dbraw/zinc/14/79/08/172147908.db2.gz NUNVUNPASIZXGC-ZETCQYMHSA-N 1 0 228.321 0.435 10 0 BCAERO CCn1cc(C(=O)N2CC[C@@H]([NH+](C)C)C2)cn1 ZINC000114328077 172151976 /nfs/dbraw/zinc/15/19/76/172151976.db2.gz CKOBDUPYYAETMJ-LLVKDONJSA-N 1 0 236.319 0.679 10 0 BCAERO CCn1cc(C[NH2+]CCc2nc(C)no2)cn1 ZINC000112098781 172170804 /nfs/dbraw/zinc/17/08/04/172170804.db2.gz VXHFAKZDLZQMPV-UHFFFAOYSA-N 1 0 235.291 0.927 10 0 BCAERO CCn1cc(N2CC[C@@H](C[NH2+]C)C2)cn1 ZINC000053031219 172178523 /nfs/dbraw/zinc/17/85/23/172178523.db2.gz KQGNGDKLDYJSEN-JTQLQIEISA-N 1 0 208.309 0.949 10 0 BCAERO CCn1cc(N2CC[C@H](C[NH2+]C)C2)cn1 ZINC000053031218 172178914 /nfs/dbraw/zinc/17/89/14/172178914.db2.gz KQGNGDKLDYJSEN-SNVBAGLBSA-N 1 0 208.309 0.949 10 0 BCAERO CCn1cccc1C[NH2+]CCOCCO ZINC000085608560 172208113 /nfs/dbraw/zinc/20/81/13/172208113.db2.gz ZLALSZYQDFSUNW-UHFFFAOYSA-N 1 0 212.293 0.607 10 0 BCAERO CCn1ccnc1Cn1cc(C[NH3+])nn1 ZINC000054743918 172226015 /nfs/dbraw/zinc/22/60/15/172226015.db2.gz UKVVTIUKHAQTNO-UHFFFAOYSA-N 1 0 206.253 0.002 10 0 BCAERO CCn1nccc1-c1ccnc(NCC[NH3+])n1 ZINC000002538475 172256264 /nfs/dbraw/zinc/25/62/64/172256264.db2.gz MJCFWDGQCFYANU-UHFFFAOYSA-N 1 0 232.291 0.731 10 0 BCAERO CCn1nccc1CN1CCO[C@H]2C[NH2+]C[C@H]21 ZINC000299743173 172267206 /nfs/dbraw/zinc/26/72/06/172267206.db2.gz MGZKTKLDULAZFS-NEPJUHHUSA-N 1 0 236.319 0.076 10 0 BCAERO CCn1nccc1N1CCC[C@H]([NH3+])C1=O ZINC000096301149 172274301 /nfs/dbraw/zinc/27/43/01/172274301.db2.gz VWNHPXXOSRTVSL-QMMMGPOBSA-N 1 0 208.265 0.357 10 0 BCAERO CN(C(=O)CCc1ccccn1)C1C[NH2+]C1 ZINC000136032183 172305917 /nfs/dbraw/zinc/30/59/17/172305917.db2.gz VTYCHXSNVIKFLU-UHFFFAOYSA-N 1 0 219.288 0.444 10 0 BCAERO CN(C(=O)C[NH2+][C@@H]1CCCC[C@H]1O)C1CC1 ZINC000052015121 172310342 /nfs/dbraw/zinc/31/03/42/172310342.db2.gz AMICXBLMVMXQJC-GHMZBOCLSA-N 1 0 226.320 0.500 10 0 BCAERO CN(C(=O)Cc1cccs1)[C@H]1C[NH2+]C[C@@H]1O ZINC000077480464 172316094 /nfs/dbraw/zinc/31/60/94/172316094.db2.gz JCCQRGXGTBTOGH-UWVGGRQHSA-N 1 0 240.328 0.082 10 0 BCAERO CN(C(=O)Cn1cccn1)[C@H]1CCC[NH2+]C1 ZINC000037470118 172316890 /nfs/dbraw/zinc/31/68/90/172316890.db2.gz REYPMRWCIDFKJQ-JTQLQIEISA-N 1 0 222.292 0.094 10 0 BCAERO CN(C(=O)[C@@H]1CCCO1)[C@@H]1CCC[NH2+]C1 ZINC000037470140 172328089 /nfs/dbraw/zinc/32/80/89/172328089.db2.gz JBLDEPQXOXQGPE-ZJUUUORDSA-N 1 0 212.293 0.376 10 0 BCAERO CN(C(=O)[C@@H]1C[NH2+]CCN1)C1CCCCCC1 ZINC000062812862 172328407 /nfs/dbraw/zinc/32/84/07/172328407.db2.gz NFEAHTMTNANUNG-LBPRGKRZSA-N 1 0 239.363 0.729 10 0 BCAERO CN(C(=O)[C@H]([NH3+])C(C)(C)C)C1CCOCC1 ZINC000077488229 172331631 /nfs/dbraw/zinc/33/16/31/172331631.db2.gz FGGZQGWERLJIIL-JTQLQIEISA-N 1 0 228.336 0.997 10 0 BCAERO CN(C(=O)c1cc(Cl)c[nH]1)[C@H]1C[NH2+]C[C@@H]1O ZINC000077452474 172337521 /nfs/dbraw/zinc/33/75/21/172337521.db2.gz MSJMUNTXRIPXKF-IUCAKERBSA-N 1 0 243.694 0.073 10 0 BCAERO CN(C(=O)c1ccc2c(c1)OCO2)C1C[NH2+]C1 ZINC000090289821 172341093 /nfs/dbraw/zinc/34/10/93/172341093.db2.gz IMZGZXIUFGUMAC-UHFFFAOYSA-N 1 0 234.255 0.459 10 0 BCAERO CN(C(=O)c1ccnn1C)C(C)(C)C[NH3+] ZINC000098168222 172344142 /nfs/dbraw/zinc/34/41/42/172344142.db2.gz WGXYUQOSVMBJKV-UHFFFAOYSA-N 1 0 210.281 0.229 10 0 BCAERO CN(C(=O)c1cn(C2CC[NH2+]CC2)nn1)C1CC1 ZINC000071215360 172345103 /nfs/dbraw/zinc/34/51/03/172345103.db2.gz NMJZKTHUYPTIHG-UHFFFAOYSA-N 1 0 249.318 0.437 10 0 BCAERO CN(C)C(=O)CC[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000037904467 172360511 /nfs/dbraw/zinc/36/05/11/172360511.db2.gz LJQJBFQYSDJLDG-LLVKDONJSA-N 1 0 239.363 0.539 10 0 BCAERO CN(C)C(=O)CCN[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000049564819 172360605 /nfs/dbraw/zinc/36/06/05/172360605.db2.gz GXMUNGJCISDJSB-NWDGAFQWSA-N 1 0 239.363 0.681 10 0 BCAERO CN(C)C(=O)CC[NH2+]CCN(C)C1CCCC1 ZINC000071377263 172360693 /nfs/dbraw/zinc/36/06/93/172360693.db2.gz OQCIIIRPQHERGV-UHFFFAOYSA-N 1 0 241.379 0.929 10 0 BCAERO CN(C)C(=O)CCOC1CCC([NH3+])CC1 ZINC000055143230 172361322 /nfs/dbraw/zinc/36/13/22/172361322.db2.gz ZZUJBGSYEZHLPO-UHFFFAOYSA-N 1 0 214.309 0.751 10 0 BCAERO CN(C)C(=O)[C@@H](C[NH3+])Cc1ccc2c(c1)CCO2 ZINC000050304669 172383977 /nfs/dbraw/zinc/38/39/77/172383977.db2.gz UIMMKLUXIIACGQ-GFCCVEGCSA-N 1 0 248.326 0.827 10 0 BCAERO CN(C)C(=O)[C@H]1CCCN1c1ncccc1C[NH3+] ZINC000036796716 172386299 /nfs/dbraw/zinc/38/62/99/172386299.db2.gz DDUGPHJJLQMKJA-LLVKDONJSA-N 1 0 248.330 0.597 10 0 BCAERO CN(C)C(C)(C)C[NH2+]CC(=O)NC1CCCC1 ZINC000049854891 172395331 /nfs/dbraw/zinc/39/53/31/172395331.db2.gz NKURAJOZLLLSNJ-UHFFFAOYSA-N 1 0 241.379 0.975 10 0 BCAERO C[NH+](C)CC(C)(C)CN1C(=O)C=CC1=O ZINC000019972202 172422253 /nfs/dbraw/zinc/42/22/53/172422253.db2.gz HOXVMAKEJZQZLV-UHFFFAOYSA-N 1 0 210.277 0.499 10 0 BCAERO CCN1CC[C@H]([NH2+][C@@H]2CCO[C@@H]2C)C1=O ZINC000309039406 487624918 /nfs/dbraw/zinc/62/49/18/487624918.db2.gz KIXJZBLMOGCMIG-BBBLOLIVSA-N 1 0 212.293 0.374 10 0 BCAERO CN(C)CC[NH2+]CCN1CCO[C@H]2CCC[C@@H]21 ZINC000053425968 172465148 /nfs/dbraw/zinc/46/51/48/172465148.db2.gz QTKZNRVJWWUKLG-STQMWFEESA-N 1 0 241.379 0.391 10 0 BCAERO CN(C)CC[NH2+]C[C@H](O)c1cccs1 ZINC000032012979 172465522 /nfs/dbraw/zinc/46/55/22/172465522.db2.gz MEKUULCINWZJQW-VIFPVBQESA-N 1 0 214.334 0.933 10 0 BCAERO CN(C)S(=O)(=O)Nc1cccc(C[NH3+])c1 ZINC000020257526 172515229 /nfs/dbraw/zinc/51/52/29/172515229.db2.gz NDIJDOOSRWNKMP-UHFFFAOYSA-N 1 0 229.305 0.364 10 0 BCAERO C[NH+](C)[C@@H]1CCN(C(=O)Cc2ccoc2)C1 ZINC000123120561 172526483 /nfs/dbraw/zinc/52/64/83/172526483.db2.gz BFWUBTOXWYCTBL-LLVKDONJSA-N 1 0 222.288 0.985 10 0 BCAERO C[NH+](C)[C@H]1CCN(C(=O)c2cnccn2)C1 ZINC000082279142 172538600 /nfs/dbraw/zinc/53/86/00/172538600.db2.gz BRHRYWVSIUGMJM-VIFPVBQESA-N 1 0 220.276 0.253 10 0 BCAERO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)c3ccno3)C[C@H]21 ZINC000107801988 172541762 /nfs/dbraw/zinc/54/17/62/172541762.db2.gz ITFLXIPBBAFHRH-MBTKJCJQSA-N 1 0 221.260 0.307 10 0 BCAERO CN(C1CC[NH2+]CC1)S(=O)(=O)c1cc[nH]c1 ZINC000036299964 172599468 /nfs/dbraw/zinc/59/94/68/172599468.db2.gz WTIWGYQDALCIJK-UHFFFAOYSA-N 1 0 243.332 0.387 10 0 BCAERO CN(CC(=O)c1ccc[nH]1)C[C@@H]1CC[NH2+]C1 ZINC000095071272 172619928 /nfs/dbraw/zinc/61/99/28/172619928.db2.gz PVLPMVYRRQUASJ-SNVBAGLBSA-N 1 0 221.304 0.739 10 0 BCAERO CN(CC(=O)c1cnccn1)C[C@H]1CCC[NH2+]1 ZINC000095071001 172620211 /nfs/dbraw/zinc/62/02/11/172620211.db2.gz LYZDLEZZXXGJAZ-SNVBAGLBSA-N 1 0 234.303 0.343 10 0 BCAERO CN(C[C@@H]1CCCC[NH2+]1)[C@@H]1CCS(=O)(=O)C1 ZINC000036870192 172808616 /nfs/dbraw/zinc/80/86/16/172808616.db2.gz ZHYCMWPDFHLPQB-WDEREUQCSA-N 1 0 246.376 0.247 10 0 BCAERO CN(Cc1nccn1C)[C@@H](C[NH3+])c1ccncc1 ZINC000062248053 172931490 /nfs/dbraw/zinc/93/14/90/172931490.db2.gz ICSMFJVBYQLPNW-LBPRGKRZSA-N 1 0 245.330 0.947 10 0 BCAERO CN(Cc1nnc(C2CC2)o1)[C@H]1CC[NH2+]C1 ZINC000082160259 172934951 /nfs/dbraw/zinc/93/49/51/172934951.db2.gz XPZIQAQQVSUXOR-VIFPVBQESA-N 1 0 222.292 0.741 10 0 BCAERO CN(c1cc(N)cc[nH+]1)[C@H]1CCS(=O)(=O)C1 ZINC000043569004 172945576 /nfs/dbraw/zinc/94/55/76/172945576.db2.gz CXFHCPBNANMYDW-VIFPVBQESA-N 1 0 241.316 0.287 10 0 BCAERO CN1C(=O)C[C@@H](C[NH3+])[C@H]1c1ccncc1 ZINC000390822004 172963683 /nfs/dbraw/zinc/96/36/83/172963683.db2.gz FHRVACOAZZOVTQ-GXSJLCMTSA-N 1 0 205.261 0.560 10 0 BCAERO C[NH+]1CCC(NCC(=O)N2CCCC2)CC1 ZINC000037249919 172993970 /nfs/dbraw/zinc/99/39/70/172993970.db2.gz YANCNBUKMFSXPO-UHFFFAOYSA-N 1 0 225.336 0.293 10 0 BCAERO CN1NC2(CC[NH+](C)CC2)N(C)C1=S ZINC000003176572 173003103 /nfs/dbraw/zinc/00/31/03/173003103.db2.gz OELHDLAACQVDED-UHFFFAOYSA-N 1 0 214.338 0.075 10 0 BCAERO CN1CCCC[C@H]1C[NH2+]C[C@@H]1COCCO1 ZINC000054243350 173009449 /nfs/dbraw/zinc/00/94/49/173009449.db2.gz VZIVGYXRBPNWBB-NWDGAFQWSA-N 1 0 228.336 0.476 10 0 BCAERO Cn1ccc(C(=O)CN2CCC[N@H+](C)CC2)c1 ZINC000035035957 173015012 /nfs/dbraw/zinc/01/50/12/173015012.db2.gz PKOJEIBKYXQHIY-UHFFFAOYSA-N 1 0 235.331 0.845 10 0 BCAERO C[N@@H+]1CCCN(c2ccc(N)nc2)CC1 ZINC000020217469 173018854 /nfs/dbraw/zinc/01/88/54/173018854.db2.gz BHUYASDXLJHAEN-UHFFFAOYSA-N 1 0 206.293 0.806 10 0 BCAERO CN1CCC[C@@H]([NH2+]C2CCS(=O)CC2)C1 ZINC000042354157 173020989 /nfs/dbraw/zinc/02/09/89/173020989.db2.gz VCRDODCOHQVKMO-LOIXOFCESA-N 1 0 230.377 0.581 10 0 BCAERO Cn1ccnc(N[C@@H]2CCC[N@H+](C)C2)c1=O ZINC000061751471 173023767 /nfs/dbraw/zinc/02/37/67/173023767.db2.gz GBPCVRLZJYDRMM-SECBINFHSA-N 1 0 222.292 0.286 10 0 BCAERO Cn1cnnc1CNC[C@H]1CCC[N@H+](C)C1 ZINC000054243279 173041322 /nfs/dbraw/zinc/04/13/22/173041322.db2.gz LJXNRZLIADOLMP-SNVBAGLBSA-N 1 0 223.324 0.247 10 0 BCAERO C[N@@H+]1CCC[C@H](CNc2ncc(N)cn2)C1 ZINC000044535843 173041354 /nfs/dbraw/zinc/04/13/54/173041354.db2.gz QHIFPEAQCACKCF-SECBINFHSA-N 1 0 221.308 0.813 10 0 BCAERO C[N@@H+]1CCC[C@H](CNCc2nc[nH]n2)C1 ZINC000054243263 173041839 /nfs/dbraw/zinc/04/18/39/173041839.db2.gz IWUFKXZOZVXNAW-SECBINFHSA-N 1 0 209.297 0.236 10 0 BCAERO C[N@@H+]1CCC[C@H](Nc2ccc(N)cc2C(N)=O)C1 ZINC000041084538 173045777 /nfs/dbraw/zinc/04/57/77/173045777.db2.gz LIFRRZNVRQGHEY-JTQLQIEISA-N 1 0 248.330 0.874 10 0 BCAERO CN1CCN(C(=O)C[C@H]2CCCC[NH2+]2)CC1 ZINC000020597462 173066951 /nfs/dbraw/zinc/06/69/51/173066951.db2.gz IFRZKKVVPJHYGX-LLVKDONJSA-N 1 0 225.336 0.293 10 0 BCAERO CN1CCN(C(=O)[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000055085917 173069864 /nfs/dbraw/zinc/06/98/64/173069864.db2.gz LTIWWGADTVOTEV-MNOVXSKESA-N 1 0 225.336 0.278 10 0 BCAERO CN1CC[NH+](CC2(CO)CCCC2)CC1 ZINC000049815196 173079711 /nfs/dbraw/zinc/07/97/11/173079711.db2.gz BZVVBAGQOLTNRA-UHFFFAOYSA-N 1 0 212.337 0.787 10 0 BCAERO CN1CC[N@H+](CC(C)(C)O)C(C)(C)C1 ZINC000039104895 173080006 /nfs/dbraw/zinc/08/00/06/173080006.db2.gz RBOPPJZYLOPUTJ-UHFFFAOYSA-N 1 0 200.326 0.783 10 0 BCAERO C[NH+]1CCN(CCNc2cccc(N)c2)CC1 ZINC000037759547 173082052 /nfs/dbraw/zinc/08/20/52/173082052.db2.gz VBIZMIROIBMBKP-UHFFFAOYSA-N 1 0 234.347 0.928 10 0 BCAERO CN1CCN(CC[C@@H]2CCC[NH2+]C2)C1=O ZINC000052885871 173083100 /nfs/dbraw/zinc/08/31/00/173083100.db2.gz WQSCXOAYELWYHE-JTQLQIEISA-N 1 0 211.309 0.744 10 0 BCAERO CN1CCN(CC[C@@H]2CCCC[NH2+]2)C1=O ZINC000052885886 173083953 /nfs/dbraw/zinc/08/39/53/173083953.db2.gz QGYOCURZVJKPIH-JTQLQIEISA-N 1 0 211.309 0.886 10 0 BCAERO C[NH+]1CCN(C[C@@H](O)c2cccc(N)c2)CC1 ZINC000019731536 173085383 /nfs/dbraw/zinc/08/53/83/173085383.db2.gz PSJOGGVORZROLL-CYBMUJFWSA-N 1 0 235.331 0.550 10 0 BCAERO CN1CC[NH2+][C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC000096988020 173097590 /nfs/dbraw/zinc/09/75/90/173097590.db2.gz INSNHLSBAMRGJR-VHSXEESVSA-N 1 0 241.335 0.509 10 0 BCAERO CN1CCO[C@H](C[NH2+][C@H]2CCOC2(C)C)C1 ZINC000328202265 173109087 /nfs/dbraw/zinc/10/90/87/173109087.db2.gz GGWLMVVJZAZAOO-MNOVXSKESA-N 1 0 228.336 0.474 10 0 BCAERO C[N@@H+]1CC[C@@H](C(=O)Nc2ccc(N)nc2)C1 ZINC000061680290 173110980 /nfs/dbraw/zinc/11/09/80/173110980.db2.gz MUTFYYNYQULVSA-MRVPVSSYSA-N 1 0 220.276 0.554 10 0 BCAERO C[N@@H+]1CC[C@@H](CNCC(=O)N2CCCC2)C1 ZINC000037485083 173114315 /nfs/dbraw/zinc/11/43/15/173114315.db2.gz GUQGLRIPNVYVCP-NSHDSACASA-N 1 0 225.336 0.150 10 0 BCAERO CN1CC[C@@H]([NH+]2CCC(c3cc[nH]n3)CC2)C1=O ZINC000116275284 173119951 /nfs/dbraw/zinc/11/99/51/173119951.db2.gz ZWFZNVNRTGNZPB-GFCCVEGCSA-N 1 0 248.330 0.820 10 0 BCAERO C[N@@H+]1CC[C@@H](NC(=O)Cc2ccccc2N)C1 ZINC000042543567 173121387 /nfs/dbraw/zinc/12/13/87/173121387.db2.gz XPRRSDZCISTCTP-LLVKDONJSA-N 1 0 233.315 0.632 10 0 BCAERO CN1CC[C@@H]([NH2+]CC(=O)NC2CCCC2)C1 ZINC000042547643 173123731 /nfs/dbraw/zinc/12/37/31/173123731.db2.gz JPBJKQUXXGCXJE-LLVKDONJSA-N 1 0 225.336 0.339 10 0 BCAERO CN1CC[C@@H]([NH2+]CC(=O)NC2CCCCC2)C1 ZINC000042547655 173124141 /nfs/dbraw/zinc/12/41/41/173124141.db2.gz MSQMNQASLGCFPL-GFCCVEGCSA-N 1 0 239.363 0.729 10 0 BCAERO C[N@@H+]1CC[C@@H](Nc2ccc(OCC(N)=O)cc2)C1 ZINC000061985906 173125166 /nfs/dbraw/zinc/12/51/66/173125166.db2.gz VWEYKSOADVFKCU-LLVKDONJSA-N 1 0 249.314 0.667 10 0 BCAERO CN1CC[C@@]([NH2+]C2CCCCC2)(C(N)=O)C1 ZINC000061991097 173135632 /nfs/dbraw/zinc/13/56/32/173135632.db2.gz HEBCRSNFKCZCFR-LBPRGKRZSA-N 1 0 225.336 0.468 10 0 BCAERO C[N@@H+]1CC[C@@](Nc2ccccc2)(C(N)=O)C1 ZINC000061990971 173137066 /nfs/dbraw/zinc/13/70/66/173137066.db2.gz KWSFKNJEVYRTGU-LBPRGKRZSA-N 1 0 219.288 0.658 10 0 BCAERO C[N@@H+]1CC[C@H](CNc2ncnc3nc[nH]c32)C1 ZINC000037647744 173146560 /nfs/dbraw/zinc/14/65/60/173146560.db2.gz INPVQWRJWJYXGR-MRVPVSSYSA-N 1 0 232.291 0.717 10 0 BCAERO C[N@@H+]1CC[C@H](NC(=O)Cc2ccccc2N)C1 ZINC000042543565 173149910 /nfs/dbraw/zinc/14/99/10/173149910.db2.gz XPRRSDZCISTCTP-NSHDSACASA-N 1 0 233.315 0.632 10 0 BCAERO C[N@@H+]1CC[C@H](NC(=O)CNc2ccccc2)C1 ZINC000042549107 173150665 /nfs/dbraw/zinc/15/06/65/173150665.db2.gz DNAGNWUXKWSFPV-LBPRGKRZSA-N 1 0 233.315 0.919 10 0 BCAERO CN1CC[C@H]([NH2+]CC2(O)CCCCC2)C1 ZINC000042546637 173152047 /nfs/dbraw/zinc/15/20/47/173152047.db2.gz OREXTPOIRSOLLQ-NSHDSACASA-N 1 0 212.337 0.975 10 0 BCAERO CN1CC[C@H]([NH2+]C[C@H](O)COC2CCCC2)C1 ZINC000042546509 173152471 /nfs/dbraw/zinc/15/24/71/173152471.db2.gz UJOQISSNIBAPCS-RYUDHWBXSA-N 1 0 242.363 0.600 10 0 BCAERO CN1CCc2nc([C@@H](O)C[NH3+])sc2C1 ZINC000076166559 173173570 /nfs/dbraw/zinc/17/35/70/173173570.db2.gz XXXKSWCJEQXQDD-ZETCQYMHSA-N 1 0 213.306 0.123 10 0 BCAERO CN1CCc2nc([C@@H]([NH3+])CO)sc2C1 ZINC000076136103 173174706 /nfs/dbraw/zinc/17/47/06/173174706.db2.gz GDEJEXWJZOMEFB-LURJTMIESA-N 1 0 213.306 0.123 10 0 BCAERO CN1C[C@@H]([NH3+])C[C@H]1CNC(=O)OC(C)(C)C ZINC000082348647 173182511 /nfs/dbraw/zinc/18/25/11/173182511.db2.gz OFFFXPOKIIWUMA-IUCAKERBSA-N 1 0 229.324 0.543 10 0 BCAERO CN1C[C@H]([NH2+]CC2CCOCC2)CCC1=O ZINC000082756534 173195295 /nfs/dbraw/zinc/19/52/95/173195295.db2.gz GRQDZAUWHOITAG-LLVKDONJSA-N 1 0 226.320 0.623 10 0 BCAERO CNC(=O)C1CCN([C@@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000062948815 173223688 /nfs/dbraw/zinc/22/36/88/173223688.db2.gz LUPAQDIZXSVBQK-CMPLNLGQSA-N 1 0 239.363 0.585 10 0 BCAERO CNC(=O)CC[N@@H+]1CCS[C@@H](C)C1 ZINC000306497574 173254973 /nfs/dbraw/zinc/25/49/73/173254973.db2.gz BGYSLRSMWRDRCD-QMMMGPOBSA-N 1 0 202.323 0.560 10 0 BCAERO CNC(=O)CC[NH2+][C@H](CO)Cc1ccccc1 ZINC000063219336 173261152 /nfs/dbraw/zinc/26/11/52/173261152.db2.gz UTFPTLPRARCBKN-LBPRGKRZSA-N 1 0 236.315 0.316 10 0 BCAERO CNC(=O)CN(C)Cc1cc(C[NH3+])ccc1F ZINC000037270110 173269689 /nfs/dbraw/zinc/26/96/89/173269689.db2.gz ZTFJRHNEQYMGEH-UHFFFAOYSA-N 1 0 239.294 0.462 10 0 BCAERO CNC(=O)C[NH2+]Cc1cnc(N(C)C)s1 ZINC000163650935 173277298 /nfs/dbraw/zinc/27/72/98/173277298.db2.gz LGNXPUZYMBLKNS-UHFFFAOYSA-N 1 0 228.321 0.045 10 0 BCAERO CNC(=O)C[NH2+][C@H]1CCc2c1cccc2O ZINC000036852707 173278664 /nfs/dbraw/zinc/27/86/64/173278664.db2.gz VKBHYYMRWILYAQ-JTQLQIEISA-N 1 0 220.272 0.715 10 0 BCAERO CNC(=O)Cc1ccccc1NC(=O)[C@H](C)C[NH3+] ZINC000054338916 173283805 /nfs/dbraw/zinc/28/38/05/173283805.db2.gz SMMAHHAZLWQEKN-SECBINFHSA-N 1 0 249.314 0.508 10 0 BCAERO CNC(=O)NC(=O)[C@H](C)[NH2+]C1(C)CCCC1 ZINC000042187069 173288610 /nfs/dbraw/zinc/28/86/10/173288610.db2.gz PPBLHDBGACNYNK-QMMMGPOBSA-N 1 0 227.308 0.753 10 0 BCAERO CNC(=O)NC(=O)[C@H](C)[NH2+]C1CCCCC1 ZINC000020302854 173288731 /nfs/dbraw/zinc/28/87/31/173288731.db2.gz GFUJYDPEDZELGC-QMMMGPOBSA-N 1 0 227.308 0.753 10 0 BCAERO CNC(=O)N[C@@](C)(C[NH3+])c1ccccc1 ZINC000082640388 173292123 /nfs/dbraw/zinc/29/21/23/173292123.db2.gz OTHBSQWXPMJLHJ-NSHDSACASA-N 1 0 207.277 0.790 10 0 BCAERO CNC(=O)[C@@H](C)[NH2+][C@@H]1CCCc2c1cnn2C ZINC000042561202 173295460 /nfs/dbraw/zinc/29/54/60/173295460.db2.gz KIEBSYJGXXLDHQ-PSASIEDQSA-N 1 0 236.319 0.522 10 0 BCAERO CNC(=O)[C@@H](C)[NH2+][C@H]1CCCc2c1cnn2C ZINC000042561208 173295841 /nfs/dbraw/zinc/29/58/41/173295841.db2.gz KIEBSYJGXXLDHQ-SCZZXKLOSA-N 1 0 236.319 0.522 10 0 BCAERO CNC(=O)[C@@H](C[NH3+])Cc1ccc(F)c(C)c1 ZINC000050544408 173296367 /nfs/dbraw/zinc/29/63/67/173296367.db2.gz JVFNNGAKKBEEGL-SNVBAGLBSA-N 1 0 224.279 0.998 10 0 BCAERO CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(O)c(N)c1 ZINC000042391290 173298884 /nfs/dbraw/zinc/29/88/84/173298884.db2.gz OFOJHBCXQBCKRC-NSHDSACASA-N 1 0 249.314 0.685 10 0 BCAERO CNC(=O)[C@H](C)[N@H+](C)Cc1cccc(N)c1 ZINC000035360014 173301846 /nfs/dbraw/zinc/30/18/46/173301846.db2.gz AMCPSVQEOHVXRA-VIFPVBQESA-N 1 0 221.304 0.835 10 0 BCAERO CNC(=O)[C@H](C)[NH2+]C[C@H](O)c1ccccc1F ZINC000042562624 173302548 /nfs/dbraw/zinc/30/25/48/173302548.db2.gz XLJHKFFYAYBYCX-KWQFWETISA-N 1 0 240.278 0.583 10 0 BCAERO CNC(=O)[C@H](C)NC(=O)c1cccc(CC[NH3+])c1 ZINC000053662517 173302708 /nfs/dbraw/zinc/30/27/08/173302708.db2.gz XWLKCSINKPFDFS-VIFPVBQESA-N 1 0 249.314 0.052 10 0 BCAERO CNC(=O)[C@H](C)[NH2+]Cc1ccc(O)cc1 ZINC000042341746 173303075 /nfs/dbraw/zinc/30/30/75/173303075.db2.gz QHDFNXJMQBIPOW-QMMMGPOBSA-N 1 0 208.261 0.616 10 0 BCAERO CNC(=O)[C@H](C)[NH2+][C@@H]1CCCc2c1cnn2C ZINC000042561199 173303736 /nfs/dbraw/zinc/30/37/36/173303736.db2.gz KIEBSYJGXXLDHQ-WCBMZHEXSA-N 1 0 236.319 0.522 10 0 BCAERO CNC(=O)[C@H](C)Oc1cccc(C[NH3+])c1 ZINC000020386824 173304440 /nfs/dbraw/zinc/30/44/40/173304440.db2.gz IHMOLSAPLBLIHS-QMMMGPOBSA-N 1 0 208.261 0.659 10 0 BCAERO CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(O)c(N)c1 ZINC000042391294 173307392 /nfs/dbraw/zinc/30/73/92/173307392.db2.gz OFOJHBCXQBCKRC-LLVKDONJSA-N 1 0 249.314 0.685 10 0 BCAERO CNC(=O)c1c(OC2CC2)ccnc1C[NH3+] ZINC000095721080 173309136 /nfs/dbraw/zinc/30/91/36/173309136.db2.gz JGOQAOUWSHUEKE-UHFFFAOYSA-N 1 0 221.260 0.441 10 0 BCAERO CNC(=O)c1cc(OC2CC2)cnc1C[NH3+] ZINC000095721722 173309905 /nfs/dbraw/zinc/30/99/05/173309905.db2.gz LXPFBIALWCMRCD-UHFFFAOYSA-N 1 0 221.260 0.441 10 0 BCAERO CNC(=O)c1ccccc1NC(=O)[C@H]([NH3+])C(C)C ZINC000019505336 173312472 /nfs/dbraw/zinc/31/24/72/173312472.db2.gz XGFIIAODHFFSQR-LLVKDONJSA-N 1 0 249.314 0.968 10 0 BCAERO C[NH2+]C(C)(C)C(=O)N1C[C@H](C)OC[C@@H]1C ZINC000061300470 173318614 /nfs/dbraw/zinc/31/86/14/173318614.db2.gz OGJAWKRMFLMXIC-IUCAKERBSA-N 1 0 214.309 0.620 10 0 BCAERO C[NH2+]C(C)(C)C(=O)NC1(CO)CCCCC1 ZINC000061319312 173318387 /nfs/dbraw/zinc/31/83/87/173318387.db2.gz OIYPRIVSNQYNGF-UHFFFAOYSA-N 1 0 228.336 0.796 10 0 BCAERO C[NH2+]C(C)(C)C(=O)N1CCSCC1 ZINC000061300312 173318437 /nfs/dbraw/zinc/31/84/37/173318437.db2.gz IJXIJKVKCQFKIF-UHFFFAOYSA-N 1 0 202.323 0.560 10 0 BCAERO CNC1(C(=O)OC)C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000037447949 173321598 /nfs/dbraw/zinc/32/15/98/173321598.db2.gz GWSZVROVWFXIER-SLHIUPAKSA-N 1 0 212.293 0.374 10 0 BCAERO C[NH2+]C1CCC(NC(=O)COC)CC1 ZINC000048631594 173321895 /nfs/dbraw/zinc/32/18/95/173321895.db2.gz DEGDQXXQNXRXHR-UHFFFAOYSA-N 1 0 200.282 0.280 10 0 BCAERO C[NH2+]C1CCN(C(=O)CCOC)CC1 ZINC000053716428 173323228 /nfs/dbraw/zinc/32/32/28/173323228.db2.gz QUJLXTGZSYDDEZ-UHFFFAOYSA-N 1 0 200.282 0.233 10 0 BCAERO C[NH2+]CC(=O)N(C)Cc1cccc(N(C)C)c1 ZINC000193134813 173325278 /nfs/dbraw/zinc/32/52/78/173325278.db2.gz WYINENDTBJXRAP-UHFFFAOYSA-N 1 0 235.331 0.930 10 0 BCAERO C[NH2+]CC(=O)NCCc1ccc(O)cc1 ZINC000040737020 173328930 /nfs/dbraw/zinc/32/89/30/173328930.db2.gz HKAZIGLZOFZJDY-UHFFFAOYSA-N 1 0 208.261 0.270 10 0 BCAERO C[NH2+]CC(=O)NCc1ccc(O)c(F)c1 ZINC000193130897 173330759 /nfs/dbraw/zinc/33/07/59/173330759.db2.gz XZWXYZMMAZVVMW-UHFFFAOYSA-N 1 0 212.224 0.367 10 0 BCAERO C[NH2+]CC(=O)N[C@H](CO)c1ccccc1 ZINC000063003751 173332407 /nfs/dbraw/zinc/33/24/07/173332407.db2.gz OJZWBDLWTOOVPD-SNVBAGLBSA-N 1 0 208.261 0.056 10 0 BCAERO C[NH2+]CC(=O)Nc1cccc2c1CNC2=O ZINC000013588309 173334743 /nfs/dbraw/zinc/33/47/43/173334743.db2.gz MVEOFPNPYWHZQM-UHFFFAOYSA-N 1 0 219.244 0.088 10 0 BCAERO C[NH2+]CCC(=O)N(C)C[C@H]1CCCO1 ZINC000043606223 173339201 /nfs/dbraw/zinc/33/92/01/173339201.db2.gz XPZSXXZMXUVKGD-SECBINFHSA-N 1 0 200.282 0.233 10 0 BCAERO C[NH2+]CCC(=O)N1CCC([C@@H](C)O)CC1 ZINC000234366050 173339331 /nfs/dbraw/zinc/33/93/31/173339331.db2.gz WDCLVVHZHARMFT-SECBINFHSA-N 1 0 214.309 0.215 10 0 BCAERO C[NH2+]CCC(=O)NCCc1cc(C)[nH]c1C ZINC000077336155 173340183 /nfs/dbraw/zinc/34/01/83/173340183.db2.gz PPFIOTBAFSAEPW-UHFFFAOYSA-N 1 0 223.320 0.900 10 0 BCAERO C[NH2+]CCCC(=O)N1[C@@H](C)COC[C@@H]1C ZINC000237131238 173343594 /nfs/dbraw/zinc/34/35/94/173343594.db2.gz NYVXEBUCNBUEGY-UWVGGRQHSA-N 1 0 214.309 0.622 10 0 BCAERO C[NH2+]CCCC(=O)N[C@@H](C)[C@H]1CCCO1 ZINC000037477728 173344291 /nfs/dbraw/zinc/34/42/91/173344291.db2.gz ZUPWKHJGPIPRKS-VHSXEESVSA-N 1 0 214.309 0.670 10 0 BCAERO C[NH2+]CCCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O ZINC000104343505 173347331 /nfs/dbraw/zinc/34/73/31/173347331.db2.gz BIGSPBBQYIHSJP-NXEZZACHSA-N 1 0 222.288 0.547 10 0 BCAERO C[NH2+]CCCS(=O)(=O)N(C)C1CCCC1 ZINC000077369988 173349605 /nfs/dbraw/zinc/34/96/05/173349605.db2.gz GJWKEVMFBQHXHK-UHFFFAOYSA-N 1 0 234.365 0.800 10 0 BCAERO C[NH2+]CCN(C)CCc1ccc2[nH]c(=O)[nH]c2c1 ZINC000077423810 173353147 /nfs/dbraw/zinc/35/31/47/173353147.db2.gz FOJQYUZNALBRDY-UHFFFAOYSA-N 1 0 248.330 0.550 10 0 BCAERO C[NH2+]CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000054244912 173354218 /nfs/dbraw/zinc/35/42/18/173354218.db2.gz JHHHTPXNAVQVCR-IUCAKERBSA-N 1 0 210.277 0.381 10 0 BCAERO C[NH2+]CCNC(=O)c1ccc(-c2ncon2)cc1 ZINC000151284760 173355873 /nfs/dbraw/zinc/35/58/73/173355873.db2.gz JEDAXXFQCHXNPW-UHFFFAOYSA-N 1 0 246.270 0.686 10 0 BCAERO C[NH2+]CCNc1cc(C)cc2ncnn21 ZINC000054244866 173356915 /nfs/dbraw/zinc/35/69/15/173356915.db2.gz DVSRCDXYGMMSPZ-UHFFFAOYSA-N 1 0 205.265 0.669 10 0 BCAERO C[NH2+]CCS(=O)(=O)c1ccc(OC)cc1 ZINC000001996991 173357504 /nfs/dbraw/zinc/35/75/04/173357504.db2.gz PZMHWJHPIIQYEX-UHFFFAOYSA-N 1 0 229.301 0.688 10 0 BCAERO C[NH2+]CCOc1ccc(S(N)(=O)=O)cc1F ZINC000070601912 173357779 /nfs/dbraw/zinc/35/77/79/173357779.db2.gz KOWXJSVDBYMIMS-UHFFFAOYSA-N 1 0 248.279 0.071 10 0 BCAERO C[NH2+]CC[C@@H](C)N1CCS(=O)CC1 ZINC000052516243 173357842 /nfs/dbraw/zinc/35/78/42/173357842.db2.gz AQKVPQOGWTXERD-SECBINFHSA-N 1 0 204.339 0.049 10 0 BCAERO C[NH2+]CCS(=O)(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000049630056 173357949 /nfs/dbraw/zinc/35/79/49/173357949.db2.gz GVKGBMHHKNYNBX-UWVGGRQHSA-N 1 0 234.365 0.514 10 0 BCAERO C[NH2+]CCn1nnc(-c2ccccc2)n1 ZINC000042409866 173361969 /nfs/dbraw/zinc/36/19/69/173361969.db2.gz SMBFEJOITUVQPE-UHFFFAOYSA-N 1 0 203.249 0.560 10 0 BCAERO C[NH2+]CCc1noc(-c2cnn(C)c2)n1 ZINC000051850595 173362104 /nfs/dbraw/zinc/36/21/04/173362104.db2.gz XKJQIWPBHFBBIT-UHFFFAOYSA-N 1 0 207.237 0.232 10 0 BCAERO C[NH2+]C[C@@H](C(C)C)N1CCO[C@@H](C)C1 ZINC000052382178 173362232 /nfs/dbraw/zinc/36/22/32/173362232.db2.gz AUDXQEISNNIUNH-QWRGUYRKSA-N 1 0 200.326 0.951 10 0 BCAERO C[NH2+]C[C@@H](C)C(=O)N1CCC([C@@H](C)O)CC1 ZINC000226332867 173362846 /nfs/dbraw/zinc/36/28/46/173362846.db2.gz OSCKGNCKWGMINC-NXEZZACHSA-N 1 0 228.336 0.461 10 0 BCAERO C[NH2+]C[C@@H](C)Oc1ccnc(C(=O)N(C)C)c1 ZINC000051867119 173364613 /nfs/dbraw/zinc/36/46/13/173364613.db2.gz DWSVHDJMOXDSKW-SECBINFHSA-N 1 0 237.303 0.770 10 0 BCAERO C[NH2+]C[C@@H](O)COc1ccc(F)c(F)c1 ZINC000032013174 173365545 /nfs/dbraw/zinc/36/55/45/173365545.db2.gz IEOWUIXARLMCGJ-SSDOTTSWSA-N 1 0 217.215 0.924 10 0 BCAERO C[NH2+]C[C@@H](O)Cn1cc(Br)cn1 ZINC000038054223 173365672 /nfs/dbraw/zinc/36/56/72/173365672.db2.gz NVGZORVMCXXLRH-SSDOTTSWSA-N 1 0 234.097 0.226 10 0 BCAERO C[NH2+]C[C@@H](O)Cc1ccc(OC)c(F)c1 ZINC000041226854 173365823 /nfs/dbraw/zinc/36/58/23/173365823.db2.gz NQJQZNPNFNBGKJ-VIFPVBQESA-N 1 0 213.252 0.957 10 0 BCAERO C[NH2+]C[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000053301944 173371823 /nfs/dbraw/zinc/37/18/23/173371823.db2.gz IQVBWDLGJSDCLF-MRVPVSSYSA-N 1 0 211.286 0.777 10 0 BCAERO C[NH2+]C[C@@]1(Cc2cnn(C)c2)CCCOC1 ZINC000062193626 173373031 /nfs/dbraw/zinc/37/30/31/173373031.db2.gz UGOXPKQDGQLJCA-LBPRGKRZSA-N 1 0 223.320 0.979 10 0 BCAERO C[NH2+]C[C@H](C)C(=O)N1CCC([C@H](C)O)CC1 ZINC000226332884 173373133 /nfs/dbraw/zinc/37/31/33/173373133.db2.gz OSCKGNCKWGMINC-UWVGGRQHSA-N 1 0 228.336 0.461 10 0 BCAERO C[NH2+]C[C@H](C)Oc1ncnc2c1cnn2C ZINC000051867281 173376005 /nfs/dbraw/zinc/37/60/05/173376005.db2.gz CZGAKGBRUJTAGV-ZETCQYMHSA-N 1 0 221.264 0.350 10 0 BCAERO C[NH2+]C[C@H](C)Oc1ncnc2c1CCC2 ZINC000061278136 173376241 /nfs/dbraw/zinc/37/62/41/173376241.db2.gz CYDHTLPNGQYRME-QMMMGPOBSA-N 1 0 207.277 0.952 10 0 BCAERO C[NH2+]C[C@H](O)COc1cc(OC)cc(OC)c1 ZINC000033469190 173376682 /nfs/dbraw/zinc/37/66/82/173376682.db2.gz RHHYVGNPRBXSCA-VIFPVBQESA-N 1 0 241.287 0.663 10 0 BCAERO CNC(=O)[C@H](C)N1CCC[C@H](C[NH2+]C)C1 ZINC000040601484 173379019 /nfs/dbraw/zinc/37/90/19/173379019.db2.gz RFSMQOXVQUBHQJ-VHSXEESVSA-N 1 0 213.325 0.052 10 0 BCAERO C[NH2+]C[C@H]1CCCN(Cc2nnc(C)o2)C1 ZINC000040601306 173379231 /nfs/dbraw/zinc/37/92/31/173379231.db2.gz VKLOKWBOKCRRJO-SNVBAGLBSA-N 1 0 224.308 0.809 10 0 BCAERO C[NH2+]C[C@H]1CCCN1Cc1ncccn1 ZINC000054460284 173380602 /nfs/dbraw/zinc/38/06/02/173380602.db2.gz FPFDNECBUFGOPO-SNVBAGLBSA-N 1 0 206.293 0.660 10 0 BCAERO C[NH2+]C[C@H]1CCCN1c1ccnc(C)n1 ZINC000054937680 173381090 /nfs/dbraw/zinc/38/10/90/173381090.db2.gz XTJBRSSMOAWSQA-SNVBAGLBSA-N 1 0 206.293 0.973 10 0 BCAERO C[NH2+]C[C@H]1CCN([C@@]2(C)CCS(=O)(=O)C2)C1 ZINC000053033970 173381509 /nfs/dbraw/zinc/38/15/09/173381509.db2.gz WOYVZDLXXGQJJH-MNOVXSKESA-N 1 0 246.376 0.105 10 0 BCAERO C[NH2+]C[C@H]1CCN(c2cnn(CCOC)c2)C1 ZINC000053032437 173382404 /nfs/dbraw/zinc/38/24/04/173382404.db2.gz MDGUDOKIISQYNP-LLVKDONJSA-N 1 0 238.335 0.575 10 0 BCAERO C[NH2+]C[C@H]1C[C@H](F)CN1Cc1cncnc1 ZINC000238853716 173382405 /nfs/dbraw/zinc/38/24/05/173382405.db2.gz KKZLKEYDXCNGEW-WDEREUQCSA-N 1 0 224.283 0.608 10 0 BCAERO C[NH2+]C[C@H]1CN(Cc2ccccn2)CCO1 ZINC000071523392 173382956 /nfs/dbraw/zinc/38/29/56/173382956.db2.gz CCZKINFORCBHMU-LBPRGKRZSA-N 1 0 221.304 0.502 10 0 BCAERO C[NH2+]Cc1c(C)nn(C)c1-n1cc(C)cn1 ZINC000037677802 173383899 /nfs/dbraw/zinc/38/38/99/173383899.db2.gz BKPQYEDYFZGRQU-UHFFFAOYSA-N 1 0 219.292 0.942 10 0 BCAERO C[NH2+]Cc1c(C)nn(C)c1N1CC[C@@H](O)C1 ZINC000061711267 173384799 /nfs/dbraw/zinc/38/47/99/173384799.db2.gz BBHOTTXTGYEGAE-SECBINFHSA-N 1 0 224.308 0.019 10 0 BCAERO C[NH2+]Cc1cc(CN2CCN(C)CC2)on1 ZINC000052379362 173386628 /nfs/dbraw/zinc/38/66/28/173386628.db2.gz ZEUWNQDOGXNMSI-UHFFFAOYSA-N 1 0 224.308 0.141 10 0 BCAERO C[NH2+]Cc1cc2c(cc1OC[C@H](C)O)OCO2 ZINC000042874168 173388031 /nfs/dbraw/zinc/38/80/31/173388031.db2.gz BZPHTTMLXXAZKQ-QMMMGPOBSA-N 1 0 239.271 0.894 10 0 BCAERO C[NH2+]Cc1nc(CN2CCN(C)CC2)cs1 ZINC000052379166 173395964 /nfs/dbraw/zinc/39/59/64/173395964.db2.gz AIPUYVIVNBCMIW-UHFFFAOYSA-N 1 0 240.376 0.610 10 0 BCAERO C[NH2+]Cc1nc2c(s1)CS(=O)(=O)CC2 ZINC000053294201 173396920 /nfs/dbraw/zinc/39/69/20/173396920.db2.gz ZEVIYSYIOGBJQT-UHFFFAOYSA-N 1 0 232.330 0.333 10 0 BCAERO C[NH2+]Cc1nnnn1-c1cc(C)cc(C)c1 ZINC000054744599 173398195 /nfs/dbraw/zinc/39/81/95/173398195.db2.gz YTKXYZNRAIDIPJ-UHFFFAOYSA-N 1 0 217.276 0.999 10 0 BCAERO C[NH2+]Cc1nnnn1-c1ccc(F)c(C)c1 ZINC000061122786 173398312 /nfs/dbraw/zinc/39/83/12/173398312.db2.gz KPWPXYSLOZDAAO-UHFFFAOYSA-N 1 0 221.239 0.829 10 0 BCAERO C[NH2+]Cc1nnnn1[C@H](C)[C@H]1CCCO1 ZINC000054746130 173398530 /nfs/dbraw/zinc/39/85/30/173398530.db2.gz SVZMVUWJBNJPMB-HTQZYQBOSA-N 1 0 211.269 0.133 10 0 BCAERO C[NH2+]Cc1nnnn1-c1cccc(C)c1 ZINC000054744480 173399000 /nfs/dbraw/zinc/39/90/00/173399000.db2.gz LCHHJSLGCLBHIP-UHFFFAOYSA-N 1 0 203.249 0.690 10 0 BCAERO C[NH2+][C@@H]1CCCN(c2nccc(C)n2)C1 ZINC000061859645 173433987 /nfs/dbraw/zinc/43/39/87/173433987.db2.gz QXNHWKLMOGTYAX-SNVBAGLBSA-N 1 0 206.293 0.973 10 0 BCAERO C[NH2+][C@@H]1c2ccccc2C[C@@H]1S(C)(=O)=O ZINC000054930220 173439983 /nfs/dbraw/zinc/43/99/83/173439983.db2.gz CKCMAFVSDWVHDZ-WDEREUQCSA-N 1 0 225.313 0.916 10 0 BCAERO C[NH2+][C@H](C)[C@@H]1CCCCN1CC(=O)NC(C)C ZINC000104409166 173447574 /nfs/dbraw/zinc/44/75/74/173447574.db2.gz SFOXMOUJRLASKF-NEPJUHHUSA-N 1 0 241.379 0.973 10 0 BCAERO C[NH2+][C@H](CO)c1ccc2c(c1)OCCO2 ZINC000038121358 173452450 /nfs/dbraw/zinc/45/24/50/173452450.db2.gz ZMHTUXJOMUADIK-SECBINFHSA-N 1 0 209.245 0.711 10 0 BCAERO COC(=O)CN(C)[C@H]1CCCC[C@@H]1C[NH3+] ZINC000071048142 173579958 /nfs/dbraw/zinc/57/99/58/173579958.db2.gz FMEGYDDPMLNVJJ-ZJUUUORDSA-N 1 0 214.309 0.609 10 0 BCAERO COC(=O)C[C@@H]1CCCCN1C(=O)[C@H](C)[NH3+] ZINC000038101906 173626803 /nfs/dbraw/zinc/62/68/03/173626803.db2.gz YKQIHVPQXQKWOB-IUCAKERBSA-N 1 0 228.292 0.278 10 0 BCAERO COC(=O)NCc1ccc(C(N)=[NH2+])cc1 ZINC000070659867 173659474 /nfs/dbraw/zinc/65/94/74/173659474.db2.gz DFMWNNMDHGFEFA-UHFFFAOYSA-N 1 0 207.233 0.827 10 0 BCAERO COC(=O)[C@](C)(O)C[NH2+]C1(C(C)C)CC1 ZINC000339512993 173834317 /nfs/dbraw/zinc/83/43/17/173834317.db2.gz OOCAWSFFWOEDSA-SNVBAGLBSA-N 1 0 215.293 0.689 10 0 BCAERO COC(=O)c1ccc(NC2CC([NH3+])C2)nn1 ZINC000037462139 173883125 /nfs/dbraw/zinc/88/31/25/173883125.db2.gz JWXMOIWUWUDTQS-UHFFFAOYSA-N 1 0 222.248 0.165 10 0 BCAERO COC1CC([NH2+][C@@H]2CCC(=O)N[C@@H]2C)C1 ZINC000335913142 174018120 /nfs/dbraw/zinc/01/81/20/174018120.db2.gz BGYFUDRSLIVNPH-SEZDTBSWSA-N 1 0 212.293 0.421 10 0 BCAERO COC1CC([NH2+][C@H]2CCC(=O)NC2(C)C)C1 ZINC000309976417 174020129 /nfs/dbraw/zinc/02/01/29/174020129.db2.gz TVNZFFGESXVSSQ-RTBKNWGFSA-N 1 0 226.320 0.811 10 0 BCAERO COCC(=O)N(C)CC[C@@H]1CCCC[NH2+]1 ZINC000019843730 174038964 /nfs/dbraw/zinc/03/89/64/174038964.db2.gz OOGZDXZNTPOXBN-JTQLQIEISA-N 1 0 214.309 0.623 10 0 BCAERO COCC(=O)N1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000051358008 174041047 /nfs/dbraw/zinc/04/10/47/174041047.db2.gz XVDUKAWXKLQTMK-VHSXEESVSA-N 1 0 212.293 0.376 10 0 BCAERO COCC(=O)N[C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000048631632 174055401 /nfs/dbraw/zinc/05/54/01/174055401.db2.gz AVENXFMGGFWEFU-BDAKNGLRSA-N 1 0 200.282 0.280 10 0 BCAERO COCC(=O)N[C@H](C)[C@H]1CCCC[NH2+]1 ZINC000048631634 174056155 /nfs/dbraw/zinc/05/61/55/174056155.db2.gz AVENXFMGGFWEFU-RKDXNWHRSA-N 1 0 200.282 0.280 10 0 BCAERO COCC1CCN(C(=O)[C@H]2CC[NH2+]C2)CC1 ZINC000069633019 174118787 /nfs/dbraw/zinc/11/87/87/174118787.db2.gz CFATZYAARJGSPJ-NSHDSACASA-N 1 0 226.320 0.481 10 0 BCAERO COCCC(=O)N[C@@H]1CCCC[C@@H]1[NH3+] ZINC000053731784 174133873 /nfs/dbraw/zinc/13/38/73/174133873.db2.gz MXEOOKTUHJSDRK-DTWKUNHWSA-N 1 0 200.282 0.409 10 0 BCAERO COCCCC(=O)N1CC[C@H](C)C[C@H]1C[NH3+] ZINC000234668224 174162997 /nfs/dbraw/zinc/16/29/97/174162997.db2.gz VARITDJXTBTOQG-QWRGUYRKSA-N 1 0 228.336 0.999 10 0 BCAERO COCCCC[N@@H+]1CCN(C[C@@H](C)O)[C@@H](C)C1 ZINC000117879949 174191851 /nfs/dbraw/zinc/19/18/51/174191851.db2.gz XQWJBXKCYMWVDU-QWHCGFSZSA-N 1 0 244.379 0.800 10 0 BCAERO COCCC[N@H+](CCOC)[C@H](C)CC(=O)OC ZINC000042423141 174225283 /nfs/dbraw/zinc/22/52/83/174225283.db2.gz JQKAAKYFKQWXLC-LLVKDONJSA-N 1 0 247.335 0.923 10 0 BCAERO COCCCNC(=O)[C@H](C)N(C)[C@H](C)CC[NH3+] ZINC000063086840 174243501 /nfs/dbraw/zinc/24/35/01/174243501.db2.gz DMWBSTGGMHQVKZ-MNOVXSKESA-N 1 0 245.367 0.197 10 0 BCAERO COCCCNC(=O)[C@H](C)O[C@H]1CCC[NH2+]C1 ZINC000020422756 174244154 /nfs/dbraw/zinc/24/41/54/174244154.db2.gz VDAXFAOVAJPYTH-QWRGUYRKSA-N 1 0 244.335 0.296 10 0 BCAERO COCCCO[C@@H]1CC2(CC[C@H]1[NH3+])OCCO2 ZINC000037747091 174256258 /nfs/dbraw/zinc/25/62/58/174256258.db2.gz GJCZOUDQQCSHJB-GHMZBOCLSA-N 1 0 245.319 0.662 10 0 BCAERO COCCN(C(=O)C[NH2+]C(C)C)[C@@H](C)COC ZINC000042610256 174268274 /nfs/dbraw/zinc/26/82/74/174268274.db2.gz BNBJGANIINNVLJ-NSHDSACASA-N 1 0 246.351 0.494 10 0 BCAERO COCCN(C(=O)[C@@H]([NH3+])C(C)C)[C@@H](C)COC ZINC000042610149 174268731 /nfs/dbraw/zinc/26/87/31/174268731.db2.gz YUPFVGZPBAKWPD-QWRGUYRKSA-N 1 0 246.351 0.480 10 0 BCAERO COCCN(C)CC[NH2+]CC(=O)N(C)C(C)C ZINC000061379190 174278002 /nfs/dbraw/zinc/27/80/02/174278002.db2.gz OCTUVUUNHKIOCG-UHFFFAOYSA-N 1 0 245.367 0.021 10 0 BCAERO COCCN(C)[C@H](C[NH3+])c1cccnc1 ZINC000041218826 174283536 /nfs/dbraw/zinc/28/35/36/174283536.db2.gz LFMYJKMQGCGXAP-LLVKDONJSA-N 1 0 209.293 0.660 10 0 BCAERO COCC[NH+](CCOC)C[C@H]1CCC[C@@H]1[NH3+] ZINC000053878296 174295753 /nfs/dbraw/zinc/29/57/53/174295753.db2.gz PZWOQWNWXMYPAW-NEPJUHHUSA-N 1 0 230.352 0.709 10 0 BCAERO COCCNC(=O)C[NH2+]C[C@@H]1C[C@H]2CC[C@@H]1C2 ZINC000104231448 174321524 /nfs/dbraw/zinc/32/15/24/174321524.db2.gz RUPZFRFJLXMLES-TUAOUCFPSA-N 1 0 240.347 0.775 10 0 BCAERO COCCNC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000105064524 174323315 /nfs/dbraw/zinc/32/33/15/174323315.db2.gz CGLGYANMKXPEPN-LLVKDONJSA-N 1 0 241.335 0.513 10 0 BCAERO COCCNC(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000123369702 174325093 /nfs/dbraw/zinc/32/50/93/174325093.db2.gz GLHWFMCKBCYPNX-LLVKDONJSA-N 1 0 245.367 0.908 10 0 BCAERO COCCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CCCO1 ZINC000038097350 174325257 /nfs/dbraw/zinc/32/52/57/174325257.db2.gz SMCUIEPTXJZCAO-MNOVXSKESA-N 1 0 244.335 0.296 10 0 BCAERO COCCNC(=O)[C@H](C)OC[C@@H]1CCCC[NH2+]1 ZINC000051815712 174326791 /nfs/dbraw/zinc/32/67/91/174326791.db2.gz QDIWVVPFBMZPNP-QWRGUYRKSA-N 1 0 244.335 0.296 10 0 BCAERO COCCNC(=O)[C@H](C)[NH2+]CC(C)C ZINC000034937578 174326835 /nfs/dbraw/zinc/32/68/35/174326835.db2.gz YJPYBDORYCNOMC-VIFPVBQESA-N 1 0 202.298 0.383 10 0 BCAERO COCCNC(=O)[C@H](C)[NH2+]C[C@@H]1CCCOC1 ZINC000038046038 174326985 /nfs/dbraw/zinc/32/69/85/174326985.db2.gz PJNHQVCXBDPTOH-QWRGUYRKSA-N 1 0 244.335 0.154 10 0 BCAERO COCC[NH2+]Cc1c(C)nn(C)c1-n1cccn1 ZINC000062738486 174334781 /nfs/dbraw/zinc/33/47/81/174334781.db2.gz YMARCEOUQHFGOU-UHFFFAOYSA-N 1 0 249.318 0.650 10 0 BCAERO COCCOCC[N@H+](C)[C@@H]1CCC[C@@H]1O ZINC000337371710 174351839 /nfs/dbraw/zinc/35/18/39/174351839.db2.gz WHAVGXUSQROXDO-MNOVXSKESA-N 1 0 217.309 0.495 10 0 BCAERO COCC[C@@H]([NH3+])C(=O)Nc1ccccc1CO ZINC000052792574 174391779 /nfs/dbraw/zinc/39/17/79/174391779.db2.gz FNYAYVAYHBYATJ-SNVBAGLBSA-N 1 0 238.287 0.481 10 0 BCAERO CO[C@@H]1CN(C(=O)[C@@H]2C[NH2+]C[C@H]2C)CC[C@H]1C ZINC000235013375 174766368 /nfs/dbraw/zinc/76/63/68/174766368.db2.gz RCMDJYPOWIGTTM-DDHJBXDOSA-N 1 0 240.347 0.725 10 0 BCAERO CO[C@H]1CC[C@@H](NC(=O)C[NH2+]CC2CC2)C1 ZINC000235012268 174893758 /nfs/dbraw/zinc/89/37/58/174893758.db2.gz FQQUKTBMIYOIKK-MNOVXSKESA-N 1 0 226.320 0.670 10 0 BCAERO COc1c(O)cc([C@H](O)[C@H](C)[NH3+])cc1O ZINC000039097354 174934446 /nfs/dbraw/zinc/93/44/46/174934446.db2.gz RSVRLCOQETUJCH-SSDLBLMSSA-N 1 0 213.233 0.487 10 0 BCAERO COc1cc(OC)c([C@@H](O)C[NH3+])c(OC)c1 ZINC000037376578 175007891 /nfs/dbraw/zinc/00/78/91/175007891.db2.gz UXFFTUKLMRXUST-QMMMGPOBSA-N 1 0 227.260 0.705 10 0 BCAERO COc1cc(OC)cc([C@@H]2C[NH2+]C[C@@H]2CO)c1 ZINC000098089109 175011410 /nfs/dbraw/zinc/01/14/10/175011410.db2.gz YYUAZPSDQWRHOF-MFKMUULPSA-N 1 0 237.299 0.999 10 0 BCAERO COc1cc(OC)nc(NC[C@H]2CCC[NH2+]2)n1 ZINC000135008772 175011852 /nfs/dbraw/zinc/01/18/52/175011852.db2.gz YOGHLGPBXDSSSK-MRVPVSSYSA-N 1 0 238.291 0.658 10 0 BCAERO COc1cc(OC2CC[NH2+]CC2)ncn1 ZINC000085481520 175012089 /nfs/dbraw/zinc/01/20/89/175012089.db2.gz CDDMGDRZFIZGDK-UHFFFAOYSA-N 1 0 209.249 0.616 10 0 BCAERO COc1cc(OC)nc(NC[C@H]2CC[NH2+]C2)n1 ZINC000135011504 175012547 /nfs/dbraw/zinc/01/25/47/175012547.db2.gz ADEQWYVQUHHBST-QMMMGPOBSA-N 1 0 238.291 0.515 10 0 BCAERO COc1cc([C@H](N)C[NH3+])cc(OC)c1OC ZINC000035677134 175017152 /nfs/dbraw/zinc/01/71/52/175017152.db2.gz QCMLMROPOBTUCF-MRVPVSSYSA-N 1 0 226.276 0.671 10 0 BCAERO COc1cc([C@](C)([NH3+])C(N)=O)ccc1O ZINC000037460036 175017833 /nfs/dbraw/zinc/01/78/33/175017833.db2.gz NBOGOYDWEFOQAD-JTQLQIEISA-N 1 0 210.233 0.060 10 0 BCAERO COc1ccc(C(=O)N[C@@H]2C[C@H]2[NH3+])c(O)c1 ZINC000036234764 175062751 /nfs/dbraw/zinc/06/27/51/175062751.db2.gz DACQNWXJOHMPHF-RKDXNWHRSA-N 1 0 222.244 0.230 10 0 BCAERO COc1ccc(CC[NH2+]C[C@@H](C)C(N)=O)cc1 ZINC000037227202 175092014 /nfs/dbraw/zinc/09/20/14/175092014.db2.gz QVZMVSHRNKIZEM-SNVBAGLBSA-N 1 0 236.315 0.949 10 0 BCAERO COc1ccc(CNC(=O)[C@H]2CCC[NH2+]2)cn1 ZINC000040432070 175104920 /nfs/dbraw/zinc/10/49/20/175104920.db2.gz RAHIURSVQPXFCZ-SNVBAGLBSA-N 1 0 235.287 0.458 10 0 BCAERO COc1ccc(C[NH2+][C@@H](C)C(N)=O)cc1 ZINC000020308226 175108760 /nfs/dbraw/zinc/10/87/60/175108760.db2.gz BIBSSUNARPRKNY-QMMMGPOBSA-N 1 0 208.261 0.659 10 0 BCAERO COc1ccc(N(C)C(=O)[C@@H]2C[NH2+]CCN2)cc1 ZINC000062813424 175136017 /nfs/dbraw/zinc/13/60/17/175136017.db2.gz PQBNTGAAMXEREX-LBPRGKRZSA-N 1 0 249.314 0.219 10 0 BCAERO COc1ccc(N2CC[C@H]([NH3+])C2=O)cc1OC ZINC000049647343 175139500 /nfs/dbraw/zinc/13/95/00/175139500.db2.gz SDUDUJFKMDXILX-VIFPVBQESA-N 1 0 236.271 0.768 10 0 BCAERO COc1ccc(NC[C@@H](O)C[NH3+])cc1OC ZINC000032015192 175151845 /nfs/dbraw/zinc/15/18/45/175151845.db2.gz DJOTVNNIOIRYIG-VIFPVBQESA-N 1 0 226.276 0.435 10 0 BCAERO COc1ccc(NS(=O)(=O)CC[NH3+])cc1 ZINC000011570269 175153077 /nfs/dbraw/zinc/15/30/77/175153077.db2.gz PIQXPPZGVHZJHG-UHFFFAOYSA-N 1 0 230.289 0.396 10 0 BCAERO COc1ccc(OC)c([C@@H](O)[C@H]([NH3+])CO)c1 ZINC000077340970 175168453 /nfs/dbraw/zinc/16/84/53/175168453.db2.gz XFAKMQAFJKGGKF-MWLCHTKSSA-N 1 0 227.260 0.057 10 0 BCAERO COc1ccc(S(=O)(=O)N[C@@H]2C[C@@H]2[NH3+])cc1 ZINC000036263996 175174711 /nfs/dbraw/zinc/17/47/11/175174711.db2.gz LFEYXGFMDMYUCI-VHSXEESVSA-N 1 0 242.300 0.073 10 0 BCAERO COc1ccc([C@@H](O)[C@@H]([NH3+])CO)c(OC)c1 ZINC000077340987 175181326 /nfs/dbraw/zinc/18/13/26/175181326.db2.gz RBHLENGSHWLBHD-GXSJLCMTSA-N 1 0 227.260 0.057 10 0 BCAERO COc1ccc([C@@H]2NC(=O)CC[C@H]2[NH3+])cc1 ZINC000057501530 175185174 /nfs/dbraw/zinc/18/51/74/175185174.db2.gz WLIUWMFFDRXEMU-PWSUYJOCSA-N 1 0 220.272 0.974 10 0 BCAERO COc1ccc([C@H]([NH3+])CS(C)(=O)=O)cc1 ZINC000036293732 175192193 /nfs/dbraw/zinc/19/21/93/175192193.db2.gz VTBLWYIICTUIKY-SNVBAGLBSA-N 1 0 229.301 0.740 10 0 BCAERO COc1ccc([C@H](O)C(N)=[NH2+])cc1OC ZINC000045823724 175193450 /nfs/dbraw/zinc/19/34/50/175193450.db2.gz WMPCZGCBMIZLIS-VIFPVBQESA-N 1 0 210.233 0.673 10 0 BCAERO COc1ccc([C@H]2NC(=O)CC[C@@H]2[NH3+])cc1 ZINC000057501537 175197852 /nfs/dbraw/zinc/19/78/52/175197852.db2.gz WLIUWMFFDRXEMU-CMPLNLGQSA-N 1 0 220.272 0.974 10 0 BCAERO COc1ccc2c(c1)[C@H]([NH3+])CCS2(=O)=O ZINC000020437210 175216072 /nfs/dbraw/zinc/21/60/72/175216072.db2.gz GIRKOXODAPXUJO-SECBINFHSA-N 1 0 227.285 0.872 10 0 BCAERO COc1cccc(-n2nnnc2C[NH3+])c1 ZINC000054744488 175239828 /nfs/dbraw/zinc/23/98/28/175239828.db2.gz LOSOZFWANWRWEX-UHFFFAOYSA-N 1 0 205.221 0.130 10 0 BCAERO COc1cccc(C(=O)N[C@H]2C[C@@H]2[NH3+])c1O ZINC000036234053 175245945 /nfs/dbraw/zinc/24/59/45/175245945.db2.gz IUHRKEHTKZLQCR-YUMQZZPRSA-N 1 0 222.244 0.230 10 0 BCAERO COc1cccc(C[NH3+])c1OCCC(N)=O ZINC000035412935 175256743 /nfs/dbraw/zinc/25/67/43/175256743.db2.gz LCFPYRAKLOPXOF-UHFFFAOYSA-N 1 0 224.260 0.408 10 0 BCAERO COc1cccc(CN2CC[C@H]([NH3+])C2=O)c1 ZINC000049648915 175260693 /nfs/dbraw/zinc/26/06/93/175260693.db2.gz IJWPNCBFEQHLDE-NSHDSACASA-N 1 0 220.272 0.755 10 0 BCAERO COc1cccc(CNC(=O)[C@H](C)[NH3+])n1 ZINC000083345733 175262620 /nfs/dbraw/zinc/26/26/20/175262620.db2.gz FKGCMUBMTSDJDL-ZETCQYMHSA-N 1 0 209.249 0.054 10 0 BCAERO COc1cccc(NC[C@@H](O)CC[NH3+])c1 ZINC000071512256 175278916 /nfs/dbraw/zinc/27/89/16/175278916.db2.gz JWRKRUATLWFJPC-JTQLQIEISA-N 1 0 210.277 0.817 10 0 BCAERO COc1cccc(OC)c1OCC[C@H]([NH3+])CO ZINC000071550516 175282373 /nfs/dbraw/zinc/28/23/73/175282373.db2.gz DBPDEMUBSBOSEC-VIFPVBQESA-N 1 0 241.287 0.792 10 0 BCAERO COc1cccc(OC[C@](C)(O)C[NH3+])c1 ZINC000019667963 175283961 /nfs/dbraw/zinc/28/39/61/175283961.db2.gz GNLGQWCYBOMDPI-LLVKDONJSA-N 1 0 211.261 0.784 10 0 BCAERO COc1cccc(S(=O)(=O)[C@H]2CC[NH2+]C2)c1 ZINC000083294913 175284702 /nfs/dbraw/zinc/28/47/02/175284702.db2.gz QBLBQROVTWRSJV-NSHDSACASA-N 1 0 241.312 0.831 10 0 BCAERO COc1cccc([C@@H](C[NH3+])N(C)CC(N)=O)c1 ZINC000043026419 175287492 /nfs/dbraw/zinc/28/74/92/175287492.db2.gz NBFXNXTYBYDONC-LLVKDONJSA-N 1 0 237.303 0.112 10 0 BCAERO COc1cccc([C@@H](C[NH3+])N2CCNC(=O)C2)c1 ZINC000043025710 175288005 /nfs/dbraw/zinc/28/80/05/175288005.db2.gz NOXXXOVMOPHPLH-GFCCVEGCSA-N 1 0 249.314 0.127 10 0 BCAERO COc1cccc([C@@H]([NH3+])Cn2cncn2)c1 ZINC000022566678 175288722 /nfs/dbraw/zinc/28/87/22/175288722.db2.gz QMFPCKISVYFWGX-NSHDSACASA-N 1 0 218.260 0.987 10 0 BCAERO COc1cccc([C@@H](O)[C@@H]([NH3+])CO)c1OC ZINC000085275698 175289496 /nfs/dbraw/zinc/28/94/96/175289496.db2.gz LBONZSYOYYRPRI-WCBMZHEXSA-N 1 0 227.260 0.057 10 0 BCAERO COc1cccc([C@@H](O)[C@H]([NH3+])CO)c1OC ZINC000085275693 175289592 /nfs/dbraw/zinc/28/95/92/175289592.db2.gz LBONZSYOYYRPRI-PSASIEDQSA-N 1 0 227.260 0.057 10 0 BCAERO COc1cccc([C@@H]2C[NH2+]CCN2)c1OC ZINC000095690930 175290326 /nfs/dbraw/zinc/29/03/26/175290326.db2.gz SNDXTRKREWUJQY-JTQLQIEISA-N 1 0 222.288 0.938 10 0 BCAERO COc1cccc([C@H](C[NH3+])n2cncn2)c1 ZINC000043028725 175293946 /nfs/dbraw/zinc/29/39/46/175293946.db2.gz CFXFZYUSTLMQCT-NSHDSACASA-N 1 0 218.260 0.835 10 0 BCAERO COc1cccc([C@H](C[NH3+])N2CC[C@H](O)C2)c1 ZINC000061709800 175294153 /nfs/dbraw/zinc/29/41/53/175294153.db2.gz MXNAYLABECPALU-AAEUAGOBSA-N 1 0 236.315 0.762 10 0 BCAERO COc1cccc([C@H](CO)N2CC[NH2+]CC2)c1 ZINC000038120826 175294292 /nfs/dbraw/zinc/29/42/92/175294292.db2.gz UKVWAJFRUJIVRQ-ZDUSSCGKSA-N 1 0 236.315 0.634 10 0 BCAERO COc1cccc([C@H](O)[C@H]([NH3+])CO)c1OC ZINC000085275692 175295112 /nfs/dbraw/zinc/29/51/12/175295112.db2.gz LBONZSYOYYRPRI-SCZZXKLOSA-N 1 0 227.260 0.057 10 0 BCAERO COc1ccccc1Cn1nnnc1[C@@H](C)[NH3+] ZINC000062494604 175334494 /nfs/dbraw/zinc/33/44/94/175334494.db2.gz QFCMWILUCSNSQH-MRVPVSSYSA-N 1 0 233.275 0.750 10 0 BCAERO COc1ccccc1Cn1nnnc1[C@H](C)[NH3+] ZINC000062494603 175334892 /nfs/dbraw/zinc/33/48/92/175334892.db2.gz QFCMWILUCSNSQH-QMMMGPOBSA-N 1 0 233.275 0.750 10 0 BCAERO COc1ccccc1OCC[C@H](O)C[NH3+] ZINC000019668478 175341891 /nfs/dbraw/zinc/34/18/91/175341891.db2.gz SCBGQRJJHVBWGR-VIFPVBQESA-N 1 0 211.261 0.784 10 0 BCAERO COc1ccccc1[C@@H](O)CN1CC[NH2+]CC1 ZINC000020264218 175347688 /nfs/dbraw/zinc/34/76/88/175347688.db2.gz NBOAKOGZWPDUAP-LBPRGKRZSA-N 1 0 236.315 0.634 10 0 BCAERO COc1ccnc(N(C)[C@H]2CC[NH2+]C2)n1 ZINC000070896897 175361234 /nfs/dbraw/zinc/36/12/34/175361234.db2.gz FADJQDBCLUFLPI-QMMMGPOBSA-N 1 0 208.265 0.283 10 0 BCAERO COc1ccnc(N2CC[C@@](C)(C[NH3+])C2)n1 ZINC000235010547 175362761 /nfs/dbraw/zinc/36/27/61/175362761.db2.gz IDEWGZFJPYTXJB-NSHDSACASA-N 1 0 222.292 0.660 10 0 BCAERO COc1ccnc(OC[C@H]2CCC[NH2+]2)n1 ZINC000051866285 175367948 /nfs/dbraw/zinc/36/79/48/175367948.db2.gz KBXDFRBGWGEKJS-MRVPVSSYSA-N 1 0 209.249 0.616 10 0 BCAERO COc1ccnc(OC[C@@H]2CCC[NH2+]C2)n1 ZINC000051883157 175368220 /nfs/dbraw/zinc/36/82/20/175368220.db2.gz AMMDKFSEABSKJF-SECBINFHSA-N 1 0 223.276 0.864 10 0 BCAERO COc1nc(C)c(C[NH2+]C[C@@H](C)O)s1 ZINC000045205498 175388901 /nfs/dbraw/zinc/38/89/01/175388901.db2.gz SKQAXGLICISGGH-ZCFIWIBFSA-N 1 0 216.306 0.931 10 0 BCAERO COc1nc(NCC[NH3+])ncc1Br ZINC000234922472 175395390 /nfs/dbraw/zinc/39/53/90/175395390.db2.gz GNMGEKFDNMLFQN-UHFFFAOYSA-N 1 0 247.096 0.618 10 0 BCAERO COc1nccnc1CO[C@H]1CC[NH2+]C1 ZINC000095071641 175413301 /nfs/dbraw/zinc/41/33/01/175413301.db2.gz LRJKYJRVLMPBGC-QMMMGPOBSA-N 1 0 209.249 0.364 10 0 BCAERO CS(=O)(=O)NCc1ccccc1C[NH3+] ZINC000061841361 175431009 /nfs/dbraw/zinc/43/10/09/175431009.db2.gz ZXFKXEKQLVITLT-UHFFFAOYSA-N 1 0 214.290 0.195 10 0 BCAERO CS(=O)(=O)N[C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC000036266609 175432373 /nfs/dbraw/zinc/43/23/73/175432373.db2.gz SQPSQUGFTSADNI-JTQLQIEISA-N 1 0 246.376 0.991 10 0 BCAERO Cc1cc(C)nc(N2CCO[C@H]([C@H](C)[NH3+])C2)n1 ZINC000228376415 487630636 /nfs/dbraw/zinc/63/06/36/487630636.db2.gz QFFBNIBWBVCQNO-QWRGUYRKSA-N 1 0 236.319 0.646 10 0 BCAERO Cc1cnc(C)c(N2CCO[C@H]([C@H](C)[NH3+])C2)n1 ZINC000228374275 487630642 /nfs/dbraw/zinc/63/06/42/487630642.db2.gz WUPYADLTPXCGQQ-ONGXEEELSA-N 1 0 236.319 0.646 10 0 BCAERO CSCC(=O)N[C@H]1CCCC[C@@H]1[NH3+] ZINC000038049045 175461541 /nfs/dbraw/zinc/46/15/41/175461541.db2.gz YANJMCBOFZNLHV-YUMQZZPRSA-N 1 0 202.323 0.736 10 0 BCAERO CSCCC[NH2+][C@@H]1CCC(=O)N[C@H]1C ZINC000336667292 175487883 /nfs/dbraw/zinc/48/78/83/175487883.db2.gz WDPPWWIDQICTFL-DTWKUNHWSA-N 1 0 216.350 0.996 10 0 BCAERO CSCc1noc(CN2CCC[NH2+]CC2)n1 ZINC000061145763 175533890 /nfs/dbraw/zinc/53/38/90/175533890.db2.gz SCRGLBNADORIHR-UHFFFAOYSA-N 1 0 242.348 0.728 10 0 BCAERO CS[C@@H](C)CNC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000122401514 175543317 /nfs/dbraw/zinc/54/33/17/175543317.db2.gz GIRCVUZMFMTJLA-YIZRAAEISA-N 1 0 232.349 0.360 10 0 BCAERO CS[C@H](CO)[C@@H](C)NC(=O)[C@@H]1CCC[NH2+]C1 ZINC000228405093 175565594 /nfs/dbraw/zinc/56/55/94/175565594.db2.gz JCJFWUUDQUCHRT-OPRDCNLKSA-N 1 0 246.376 0.215 10 0 BCAERO CSc1nccnc1CN1CC[NH2+][C@H](C)C1 ZINC000095071921 175590762 /nfs/dbraw/zinc/59/07/62/175590762.db2.gz ZLBKQOZSKVSGNR-SECBINFHSA-N 1 0 238.360 0.992 10 0 BCAERO C[C@@H](C[NH3+])CN(C)C(=O)Cc1cccc(O)c1 ZINC000042455335 175707166 /nfs/dbraw/zinc/70/71/66/175707166.db2.gz VEGWNSMVQAGFHB-JTQLQIEISA-N 1 0 236.315 0.988 10 0 BCAERO C[C@@H](C[NH2+]C[C@@H]1CCCOC1)C(N)=O ZINC000038045584 175732444 /nfs/dbraw/zinc/73/24/44/175732444.db2.gz KLIFMAHTPWQCNT-IUCAKERBSA-N 1 0 200.282 0.124 10 0 BCAERO C[C@@H](CO)NC(=O)C1CCC([NH3+])CC1 ZINC000037482085 175751548 /nfs/dbraw/zinc/75/15/48/175751548.db2.gz ALUVEPAAYAFSOG-UEJVZZJDSA-N 1 0 200.282 0.001 10 0 BCAERO C[C@@H]([NH3+])C(=O)NC[C@@H](CO)c1ccccc1 ZINC000182437244 175798468 /nfs/dbraw/zinc/79/84/68/175798468.db2.gz RAVLVIAKLPXWMV-KOLCDFICSA-N 1 0 222.288 0.226 10 0 BCAERO C[C@@H]([NH3+])Cc1noc(-c2ccnn2C)n1 ZINC000061665752 175807986 /nfs/dbraw/zinc/80/79/86/175807986.db2.gz BVUUWNVSTLAKNC-ZCFIWIBFSA-N 1 0 207.237 0.360 10 0 BCAERO C[C@@H]([NH3+])[C@@H](c1ccccc1F)N(C)CC(N)=O ZINC000043043248 175810867 /nfs/dbraw/zinc/81/08/67/175810867.db2.gz QUKBSGXCNIPOBH-PELKAZGASA-N 1 0 239.294 0.631 10 0 BCAERO C[C@@H](NC(=O)[C@@H]1CCC[NH2+]1)[C@H]1CCCO1 ZINC000035236905 175842121 /nfs/dbraw/zinc/84/21/21/175842121.db2.gz HSDGQMIVYIXKJI-KXUCPTDWSA-N 1 0 212.293 0.422 10 0 BCAERO C[C@@H](NC(=O)[C@@H]1CCC[NH2+]C1)[C@H]1CCCO1 ZINC000035734999 175843600 /nfs/dbraw/zinc/84/36/00/175843600.db2.gz CZGHJLKXGWPKDJ-GMTAPVOTSA-N 1 0 226.320 0.670 10 0 BCAERO C[C@@H]([NH2+]CC1CCC1)C(=O)N1CCOCC1 ZINC000034653286 175870009 /nfs/dbraw/zinc/87/00/09/175870009.db2.gz URYNQNFIYIJDSN-SNVBAGLBSA-N 1 0 226.320 0.623 10 0 BCAERO C[C@@H](OC1CC[NH2+]CC1)C(=O)NC1CC1 ZINC000037390568 176002162 /nfs/dbraw/zinc/00/21/62/176002162.db2.gz OMUVQVCFMAZOBQ-MRVPVSSYSA-N 1 0 212.293 0.422 10 0 BCAERO C[C@@H](OCC1CC[NH2+]CC1)C(=O)N(C)C ZINC000051814958 176002705 /nfs/dbraw/zinc/00/27/05/176002705.db2.gz TUUBMCPHDQUMKM-SECBINFHSA-N 1 0 214.309 0.479 10 0 BCAERO C[C@@H]([C@@H]1CCC[NH2+]C1)N1CCCNC1=O ZINC000043373288 176012488 /nfs/dbraw/zinc/01/24/88/176012488.db2.gz SNTOXCDCBWNJBD-VHSXEESVSA-N 1 0 211.309 0.790 10 0 BCAERO C[C@@H](c1ccncc1)N1C[C@@H]([NH3+])CC1=O ZINC000043531694 176035211 /nfs/dbraw/zinc/03/52/11/176035211.db2.gz OCHVFGUFEZSTJL-WPRPVWTQSA-N 1 0 205.261 0.702 10 0 BCAERO C[C@@H]1CCCC[N@@H+]1CCC[NH2+]CC(=O)[O-] ZINC000020376518 176071643 /nfs/dbraw/zinc/07/16/43/176071643.db2.gz NPAOHWPZKZMBEL-SNVBAGLBSA-N 1 0 214.309 0.925 10 0 BCAERO C[C@@H]1CCCC[C@@H]1N(C)S(=O)(=O)CC[NH3+] ZINC000042609412 176078706 /nfs/dbraw/zinc/07/87/06/176078706.db2.gz HDMCJZDMQKJKLC-ZJUUUORDSA-N 1 0 234.365 0.785 10 0 BCAERO C[C@@H]1CCCC[C@H]1N(C)S(=O)(=O)CC[NH3+] ZINC000042609414 176086269 /nfs/dbraw/zinc/08/62/69/176086269.db2.gz HDMCJZDMQKJKLC-NXEZZACHSA-N 1 0 234.365 0.785 10 0 BCAERO C[C@@H]1CCCN(S(=O)(=O)CC[NH3+])[C@@H]1C ZINC000050564992 176102945 /nfs/dbraw/zinc/10/29/45/176102945.db2.gz NMUNODNBRQHBKE-RKDXNWHRSA-N 1 0 220.338 0.395 10 0 BCAERO C[C@@H]1CCCN(S(=O)(=O)C2CC[NH2+]CC2)C1 ZINC000049632112 176103664 /nfs/dbraw/zinc/10/36/64/176103664.db2.gz KFJXTMMYVMHJKL-SNVBAGLBSA-N 1 0 246.376 0.800 10 0 BCAERO C[C@@H]1CCC[NH2+][C@@H]1C(=O)N1CCC[C@@H]1CO ZINC000051793315 176111938 /nfs/dbraw/zinc/11/19/38/176111938.db2.gz WNNOMGPXPCGYRV-MXWKQRLJSA-N 1 0 226.320 0.358 10 0 BCAERO C[C@@H]1CCC[C@@H](C(=O)N2CCN(C)CC2)[NH2+]1 ZINC000019488484 176112658 /nfs/dbraw/zinc/11/26/58/176112658.db2.gz RMRIGWPTBQXIFP-MNOVXSKESA-N 1 0 225.336 0.291 10 0 BCAERO C[C@@H]1CCC[NH2+][C@H]1C(=O)NCCn1cccn1 ZINC000051793633 176112883 /nfs/dbraw/zinc/11/28/83/176112883.db2.gz LANAIRBJVRXZEG-GHMZBOCLSA-N 1 0 236.319 0.387 10 0 BCAERO C[C@@H]1CCC[C@@H](S(=O)(=O)CC[NH3+])C1 ZINC000054688618 176125435 /nfs/dbraw/zinc/12/54/35/176125435.db2.gz FQOIEEXUCPNWLM-RKDXNWHRSA-N 1 0 205.323 0.939 10 0 BCAERO C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCS(=O)(=O)C1 ZINC000070829027 176131882 /nfs/dbraw/zinc/13/18/82/176131882.db2.gz IKFBCOUHOSRGOR-BBBLOLIVSA-N 1 0 217.334 0.952 10 0 BCAERO C[C@@H]1CCC[C@H](CN2C(=O)CCC2=O)[NH2+]1 ZINC000051574912 176137984 /nfs/dbraw/zinc/13/79/84/176137984.db2.gz TUEHHKFOJRFRLL-RKDXNWHRSA-N 1 0 210.277 0.666 10 0 BCAERO C[C@@H]1CCC[C@H]1C(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000358074366 176146559 /nfs/dbraw/zinc/14/65/59/176146559.db2.gz RHMXJTHAXQYLST-WZRBSPASSA-N 1 0 240.347 0.605 10 0 BCAERO C[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCS(=O)(=O)C1 ZINC000070829031 176150992 /nfs/dbraw/zinc/15/09/92/176150992.db2.gz IKFBCOUHOSRGOR-OPRDCNLKSA-N 1 0 217.334 0.952 10 0 BCAERO C[C@@H]1CCN(S(=O)(=O)CC[NH+]2CCCC2)C1 ZINC000336568072 176179187 /nfs/dbraw/zinc/17/91/87/176179187.db2.gz PLDVRUYSCUCCRY-LLVKDONJSA-N 1 0 246.376 0.754 10 0 BCAERO C[C@@H]1CCN([C@@H]2CCS(=O)(=O)C2)CCC[NH2+]1 ZINC000049664127 176180598 /nfs/dbraw/zinc/18/05/98/176180598.db2.gz FDEQCTDXYQYQKT-GHMZBOCLSA-N 1 0 246.376 0.247 10 0 BCAERO C[C@@H]1CC[NH2+][C@@H](C(=O)N2CC[C@@H]([NH+](C)C)C2)C1 ZINC000229253986 176185970 /nfs/dbraw/zinc/18/59/70/176185970.db2.gz MVDOVQDIXOGFIL-IJLUTSLNSA-N 1 0 239.363 0.537 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)N2CCCOCC2)C[NH2+]1 ZINC000061933212 176219655 /nfs/dbraw/zinc/21/96/55/176219655.db2.gz ONKRAPNFLLLJSZ-MNOVXSKESA-N 1 0 226.320 0.623 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)N2CCOCC2)C[NH2+]1 ZINC000019510192 176219892 /nfs/dbraw/zinc/21/98/92/176219892.db2.gz LHGLFUHHARAXBM-ZJUUUORDSA-N 1 0 212.293 0.233 10 0 BCAERO C[C@@H]1CC[C@H](CN2CCCNC2=O)C[NH2+]1 ZINC000062037658 176224401 /nfs/dbraw/zinc/22/44/01/176224401.db2.gz RGVPBZAMJDXTPQ-ZJUUUORDSA-N 1 0 211.309 0.790 10 0 BCAERO C[C@@H]1CC[C@H](CNS(=O)(=O)C(F)F)C[NH2+]1 ZINC000062037447 176226864 /nfs/dbraw/zinc/22/68/64/176226864.db2.gz QBNVROMQFVTKLE-RQJHMYQMSA-N 1 0 242.291 0.517 10 0 BCAERO C[C@@H]1CC[C@H](C[NH2+][C@@H]2CCC(=O)N[C@@H]2C)O1 ZINC000336780236 176227363 /nfs/dbraw/zinc/22/73/63/176227363.db2.gz QRBQLXAPZFFSJD-GWOFURMSSA-N 1 0 226.320 0.811 10 0 BCAERO C[C@@H]1CN(C(=O)C(C)(C)[NH3+])C[C@@H](C)O1 ZINC000040912428 176242181 /nfs/dbraw/zinc/24/21/81/176242181.db2.gz HHPXMRJFWZWENP-HTQZYQBOSA-N 1 0 200.282 0.360 10 0 BCAERO C[C@@H]1CN(C(=O)C2CCC([NH3+])CC2)CCO1 ZINC000037481664 176243698 /nfs/dbraw/zinc/24/36/98/176243698.db2.gz RUQWGLSGRZOXAH-KPPDAEKUSA-N 1 0 226.320 0.751 10 0 BCAERO C[C@@H]1CN(C(=O)C2[C@@H]3CCC[C@H]23)CC[NH2+]1 ZINC000132733121 176243963 /nfs/dbraw/zinc/24/39/63/176243963.db2.gz WHWWWOMTYRTJGK-NFLHVTIKSA-N 1 0 208.305 0.853 10 0 BCAERO C[C@@H]1CN(C(=O)[C@@H]([NH3+])C(C)(C)C)C[C@@H](C)O1 ZINC000040457846 176253928 /nfs/dbraw/zinc/25/39/28/176253928.db2.gz MMBZMFUKYNEILV-OPRDCNLKSA-N 1 0 228.336 0.996 10 0 BCAERO C[C@@H]1CN(C(=O)[C@@H]2CCC[NH2+]2)C[C@@H](C)O1 ZINC000019411993 176254693 /nfs/dbraw/zinc/25/46/93/176254693.db2.gz VWRIBYLJTUWMQK-BBBLOLIVSA-N 1 0 212.293 0.374 10 0 BCAERO C[C@@H]1CN(C(=O)[C@@H]2CCCS2)C[C@@H]1[NH3+] ZINC000235330800 176255022 /nfs/dbraw/zinc/25/50/22/176255022.db2.gz ZQRVUESYVBSNJH-VGMNWLOBSA-N 1 0 214.334 0.688 10 0 BCAERO C[C@@H]1CN(C(=O)[C@H](O)c2ccccc2)C[C@@H]1[NH3+] ZINC000235337146 176257421 /nfs/dbraw/zinc/25/74/21/176257421.db2.gz GUUBGYCNXFDMKQ-ADEWGFFLSA-N 1 0 234.299 0.526 10 0 BCAERO C[C@@H]1CN(C(=O)c2cc[nH]c(=O)c2)C[C@H]1[NH+](C)C ZINC000230196404 176260329 /nfs/dbraw/zinc/26/03/29/176260329.db2.gz QVJVMDRRVQHNQY-MWLCHTKSSA-N 1 0 249.314 0.397 10 0 BCAERO C[C@@H]1CN(C(=O)c2ccncc2)C[C@@H]1[NH3+] ZINC000235374269 176263579 /nfs/dbraw/zinc/26/35/79/176263579.db2.gz FQRRATPNSPLIFT-SCZZXKLOSA-N 1 0 205.261 0.501 10 0 BCAERO C[C@@H]1CN(C)CCN1C(=O)C1([NH3+])CCC1 ZINC000235446513 176265782 /nfs/dbraw/zinc/26/57/82/176265782.db2.gz UCZXMZOQNCMREZ-SECBINFHSA-N 1 0 211.309 0.030 10 0 BCAERO C[C@@H]1CN(CC(=O)c2ccccn2)CC[NH2+]1 ZINC000095069479 176284289 /nfs/dbraw/zinc/28/42/89/176284289.db2.gz XDMHVKSPPVLMFF-SNVBAGLBSA-N 1 0 219.288 0.558 10 0 BCAERO C[C@@H]1C[N@H+](CCCC(N)=S)CCO1 ZINC000019485872 176288059 /nfs/dbraw/zinc/28/80/59/176288059.db2.gz ILYHSVQELVQLSQ-MRVPVSSYSA-N 1 0 202.323 0.773 10 0 BCAERO C[C@@H]1CN(Cc2ccccc2)C(=O)[C@@H]1[NH3+] ZINC000216074049 176305363 /nfs/dbraw/zinc/30/53/63/176305363.db2.gz VHQDHZUMYNZYFR-MWLCHTKSSA-N 1 0 204.273 0.992 10 0 BCAERO C[C@@H]1CN(Cc2cncc(F)c2)C[C@@H]1[NH3+] ZINC000235326743 176310034 /nfs/dbraw/zinc/31/00/34/176310034.db2.gz YDRKLXVSYDYXBF-KCJUWKMLSA-N 1 0 209.268 1.000 10 0 BCAERO C[C@@H]1CN([C@@H](C[NH3+])[C@@H]2CCCOC2)CCCO1 ZINC000104314368 176314769 /nfs/dbraw/zinc/31/47/69/176314769.db2.gz ZEWDYOOIDCJCOL-UPJWGTAASA-N 1 0 242.363 0.851 10 0 BCAERO C[C@@H]1CN([C@@H](C[NH3+])[C@@H]2CCOC2)CCO1 ZINC000022174373 176315230 /nfs/dbraw/zinc/31/52/30/176315230.db2.gz ODQGFLOMEZJDSI-MXWKQRLJSA-N 1 0 214.309 0.071 10 0 BCAERO C[C@@H]1C[N@@H+]([C@@H](CN)C2CCOCC2)CCCO1 ZINC000061915919 176315283 /nfs/dbraw/zinc/31/52/83/176315283.db2.gz GQWWLRAPNPBKAN-YPMHNXCESA-N 1 0 242.363 0.851 10 0 BCAERO C[C@@H]1CN(c2ccc(C[NH3+])nn2)CCCO1 ZINC000061935284 176319332 /nfs/dbraw/zinc/31/93/32/176319332.db2.gz OHKDQFARTIRUNU-SECBINFHSA-N 1 0 222.292 0.551 10 0 BCAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CCC1OCCO1 ZINC000124306166 176322412 /nfs/dbraw/zinc/32/24/12/176322412.db2.gz BWYPVPFWNJUZIV-VXGBXAGGSA-N 1 0 240.347 0.918 10 0 BCAERO C[C@@H]1C[NH2+]CCN1Cc1nccnc1Cl ZINC000095069615 176327664 /nfs/dbraw/zinc/32/76/64/176327664.db2.gz NLZDHVPOEWTQGA-MRVPVSSYSA-N 1 0 226.711 0.924 10 0 BCAERO C[C@@H]1C[NH2+]C[C@@H]1C(=O)N(C)Cc1ccncc1 ZINC000104207806 176328993 /nfs/dbraw/zinc/32/89/93/176328993.db2.gz NXAILIVMNJMUBL-PWSUYJOCSA-N 1 0 233.315 0.896 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@H]1CCCCO1 ZINC000235291191 176329680 /nfs/dbraw/zinc/32/96/80/176329680.db2.gz PFXZYQFKKFBUQU-GMTAPVOTSA-N 1 0 226.320 0.527 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N(C)[C@H]1CCSC1 ZINC000235279770 176329888 /nfs/dbraw/zinc/32/98/88/176329888.db2.gz LYFHDDZCCNXIBT-KXUCPTDWSA-N 1 0 228.361 0.806 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N(C)C[C@@H]1CCCOC1 ZINC000104209874 176330219 /nfs/dbraw/zinc/33/02/19/176330219.db2.gz NCODHINKOOTTBU-GRYCIOLGSA-N 1 0 240.347 0.727 10 0 BCAERO C[C@@H]1COCCN1C1(C[NH3+])CCOCC1 ZINC000036304956 176336115 /nfs/dbraw/zinc/33/61/15/176336115.db2.gz ODMLEBFPYCXUDB-SNVBAGLBSA-N 1 0 214.309 0.215 10 0 BCAERO C[C@@H]1CO[C@@H](CO)CN1CCC[NH+](C)C ZINC000122147595 176347593 /nfs/dbraw/zinc/34/75/93/176347593.db2.gz XTOZQVFMTFGBRP-GHMZBOCLSA-N 1 0 216.325 0.020 10 0 BCAERO C[C@@H]1CSC(NCCN2CCOCC2)=[NH+]1 ZINC000035295023 176349365 /nfs/dbraw/zinc/34/93/65/176349365.db2.gz LHMPMVJUUNBBNS-SECBINFHSA-N 1 0 229.349 0.400 10 0 BCAERO C[C@@H]1C[C@@H](C)CN(C(=O)N2CC[NH2+]CC2)C1 ZINC000021958444 176359678 /nfs/dbraw/zinc/35/96/78/176359678.db2.gz YEFDWXDLXKUXMP-GHMZBOCLSA-N 1 0 225.336 0.990 10 0 BCAERO C[C@@H]1C[C@@H](C)CN([C@@H]2CS(=O)(=O)C[C@@H]2[NH3+])C1 ZINC000084597564 176361749 /nfs/dbraw/zinc/36/17/49/176361749.db2.gz ZVCHJKZJVPRDEI-CHWFTXMASA-N 1 0 246.376 0.089 10 0 BCAERO C[C@@H]1C[C@@H]([NH3+])CCN1C1CCS(=O)(=O)CC1 ZINC000049711454 176370653 /nfs/dbraw/zinc/37/06/53/176370653.db2.gz AWEIOIXWDJUYEE-ZJUUUORDSA-N 1 0 246.376 0.375 10 0 BCAERO C[C@@H]1C[C@@H]1NC(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000071221230 176404648 /nfs/dbraw/zinc/40/46/48/176404648.db2.gz IUPUIKBTYULTDF-SCZZXKLOSA-N 1 0 249.318 0.341 10 0 BCAERO C[C@@H]1C[C@@H]1[C@H]([NH3+])c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000035105616 176406201 /nfs/dbraw/zinc/40/62/01/176406201.db2.gz FBQXFYSMWCVEAK-CDOJRTKCSA-N 1 0 245.282 0.872 10 0 BCAERO C[C@@H]([NH2+][C@H]1CCC(=O)N[C@H]1C)[C@H]1CCCO1 ZINC000309393105 176455344 /nfs/dbraw/zinc/45/53/44/176455344.db2.gz GFOQNTMLSIWUNC-ZRUFSTJUSA-N 1 0 226.320 0.811 10 0 BCAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]CCOCC(F)F ZINC000309829429 176455567 /nfs/dbraw/zinc/45/55/67/176455567.db2.gz YDIRTHANHSGLIQ-YUMQZZPRSA-N 1 0 236.262 0.525 10 0 BCAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]Cc1cncs1 ZINC000281511710 176456253 /nfs/dbraw/zinc/45/62/53/176456253.db2.gz ABGXXSXGZLOCFH-IONNQARKSA-N 1 0 225.317 0.900 10 0 BCAERO C[C@@H]1OCC[C@@H]1NC(=O)C[C@@H]1CCC[NH2+]1 ZINC000134255174 176470447 /nfs/dbraw/zinc/47/04/47/176470447.db2.gz FOZRBRSWLPCKQQ-GUBZILKMSA-N 1 0 212.293 0.422 10 0 BCAERO C[C@@]([NH3+])(C(N)=O)c1ccc(OC(F)F)cc1 ZINC000037460157 176510873 /nfs/dbraw/zinc/51/08/73/176510873.db2.gz BJDSMPJPKHYJQB-JTQLQIEISA-N 1 0 230.214 0.947 10 0 BCAERO C[C@H](C[NH3+])CN(C)c1ncnc2c1CCC2 ZINC000061276347 176658604 /nfs/dbraw/zinc/65/86/04/176658604.db2.gz CIENLZRGVYEXJQ-SECBINFHSA-N 1 0 220.320 0.996 10 0 BCAERO CCN1CCO[C@H](C[NH2+][C@@H]2CN(C)C[C@@H]2C)C1 ZINC000674882275 487635426 /nfs/dbraw/zinc/63/54/26/487635426.db2.gz GTXPCPOLDQLQOY-YNEHKIRRSA-N 1 0 241.379 0.247 10 0 BCAERO C[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C)[C@H]1CCOC1 ZINC000336738665 176893086 /nfs/dbraw/zinc/89/30/86/176893086.db2.gz KMFHIFMOCROOEP-XWLWVQCSSA-N 1 0 226.320 0.668 10 0 BCAERO C[C@H](O)[C@H]([NH3+])c1nncn1-c1ccccc1 ZINC000054526780 177013675 /nfs/dbraw/zinc/01/36/75/177013675.db2.gz JMJNJJOFTOXOTH-WPRPVWTQSA-N 1 0 218.260 0.648 10 0 BCAERO C[C@H](OC1CCC([NH3+])CC1)C(=O)NC1CC1 ZINC000055142892 177020171 /nfs/dbraw/zinc/02/01/71/177020171.db2.gz YYRPRNDHRGBGQH-SILCLGDVSA-N 1 0 226.320 0.940 10 0 BCAERO C[C@H](OC[C@@H]1CCCC[NH2+]1)C(=O)N(C)C ZINC000051815708 177021247 /nfs/dbraw/zinc/02/12/47/177021247.db2.gz LAVNEXYIYBGCSO-UWVGGRQHSA-N 1 0 214.309 0.622 10 0 BCAERO C[C@H](OC[C@H]1CCC[NH2+]C1)C(=O)N(C)C ZINC000051815214 177021478 /nfs/dbraw/zinc/02/14/78/177021478.db2.gz SDVAIAYBDSTKQX-UWVGGRQHSA-N 1 0 214.309 0.479 10 0 BCAERO C[C@H]([C@@H]1CCCC[NH2+]1)N1C(=O)CCC1=O ZINC000035691827 177030982 /nfs/dbraw/zinc/03/09/82/177030982.db2.gz JNFGMSRVNLRSFM-BDAKNGLRSA-N 1 0 210.277 0.666 10 0 BCAERO C[C@H]1C(=O)NCCN1C(=[NH2+])NC1CCCCC1 ZINC000104130686 177058650 /nfs/dbraw/zinc/05/86/50/177058650.db2.gz JXFDWPVLMQNYMT-VIFPVBQESA-N 1 0 238.335 0.664 10 0 BCAERO C[C@@H]([NH3+])[C@H](c1ccncc1)N1CCNC(=O)[C@@H]1C ZINC000104142257 177060160 /nfs/dbraw/zinc/06/01/60/177060160.db2.gz WRALWHLJUYNYNR-JFGNBEQYSA-N 1 0 248.330 0.290 10 0 BCAERO C[C@H]1CCCC[N@@H+]1CCC[NH2+]CC(=O)[O-] ZINC000020376521 177075305 /nfs/dbraw/zinc/07/53/05/177075305.db2.gz NPAOHWPZKZMBEL-JTQLQIEISA-N 1 0 214.309 0.925 10 0 BCAERO C[C@H]1CCCC[N@@H+]1CC[C@H](NC1CC1)C(N)=O ZINC000062440358 177076179 /nfs/dbraw/zinc/07/61/79/177076179.db2.gz VWMKCAFVIGBIOY-JQWIXIFHSA-N 1 0 239.363 0.857 10 0 BCAERO C[C@H]1CCCC[C@H]1CNC(=O)[C@@H]1C[NH2+]CCN1 ZINC000062813291 177086295 /nfs/dbraw/zinc/08/62/95/177086295.db2.gz MTVMYTXYTSJJPH-SRVKXCTJSA-N 1 0 239.363 0.490 10 0 BCAERO C[C@H]1CCCN(C(=O)[C@@H]2CCCO2)[C@@H]1C[NH3+] ZINC000069726125 177093943 /nfs/dbraw/zinc/09/39/43/177093943.db2.gz CCIDDXTXGNEVIN-AXFHLTTASA-N 1 0 226.320 0.751 10 0 BCAERO C[C@H]1CCC[N@H+](CC[C@H]([NH3+])C(=O)[O-])C1 ZINC000062441099 177100534 /nfs/dbraw/zinc/10/05/34/177100534.db2.gz UHDGRPJZZAWQDF-IUCAKERBSA-N 1 0 200.282 0.520 10 0 BCAERO C[C@H]1CCCN(S(=O)(=O)CCCC[NH3+])C1 ZINC000020180163 177103963 /nfs/dbraw/zinc/10/39/63/177103963.db2.gz CNJHKFMUMLRYNV-JTQLQIEISA-N 1 0 234.365 0.787 10 0 BCAERO C[C@H]1CCCN(S(=O)(=O)CCC[NH3+])C1 ZINC000020180108 177104143 /nfs/dbraw/zinc/10/41/43/177104143.db2.gz WPBKZBBTHHBUBY-VIFPVBQESA-N 1 0 220.338 0.397 10 0 BCAERO C[C@H]1CCCN1S(=O)(=O)C[C@@H]1CCC[NH2+]C1 ZINC000049644217 177110138 /nfs/dbraw/zinc/11/01/38/177110138.db2.gz SSZCFDKTPAJNAB-WDEREUQCSA-N 1 0 246.376 0.800 10 0 BCAERO C[C@H]1CCC[C@@H](C(=O)N2CCOC[C@@H]2C)[C@@H]1[NH3+] ZINC000055127628 177112579 /nfs/dbraw/zinc/11/25/79/177112579.db2.gz XUYMMGLIDJVWOE-NNYUYHANSA-N 1 0 240.347 0.997 10 0 BCAERO C[C@H]1CCC[NH2+][C@@H]1C(=O)Nc1ccnn1C ZINC000051794828 177112950 /nfs/dbraw/zinc/11/29/50/177112950.db2.gz ZEELILIWXNHVQN-WPRPVWTQSA-N 1 0 222.292 0.747 10 0 BCAERO C[C@@H]1CCC[C@H](C)C1[NH2+]C(CO)CO ZINC000083691470 177113780 /nfs/dbraw/zinc/11/37/80/177113780.db2.gz DJSQLDOMGUXGOC-SLHIUPAKSA-N 1 0 201.310 0.754 10 0 BCAERO C[C@@H]1CCC[C@H](C)N1S(=O)(=O)CC[NH3+] ZINC000011584636 177116811 /nfs/dbraw/zinc/11/68/11/177116811.db2.gz POMUSURHKJSPRE-DTORHVGOSA-N 1 0 220.338 0.538 10 0 BCAERO C[C@H]1CCC[C@@H](C[NH3+])N1CC(=O)N1CCCC1 ZINC000104157018 177119604 /nfs/dbraw/zinc/11/96/04/177119604.db2.gz CIAFQSPMCFWWPW-RYUDHWBXSA-N 1 0 239.363 0.811 10 0 BCAERO C[C@H]1CCC[C@@H](CN2CCCS2(=O)=O)[NH2+]1 ZINC000051574876 177119713 /nfs/dbraw/zinc/11/97/13/177119713.db2.gz YBKZEONIWBFSAP-UWVGGRQHSA-N 1 0 232.349 0.553 10 0 BCAERO C[C@H]1CCC[C@@](CO)([NH2+]CC(=O)NC2CC2)C1 ZINC000053126730 177127443 /nfs/dbraw/zinc/12/74/43/177127443.db2.gz GQFKNUZNHMLYLS-GXFFZTMASA-N 1 0 240.347 0.796 10 0 BCAERO C[C@H]1CCC[C@H](CN2CCCNC2=O)[NH2+]1 ZINC000051574905 177133536 /nfs/dbraw/zinc/13/35/36/177133536.db2.gz VGHNEQWJQIEXQS-VHSXEESVSA-N 1 0 211.309 0.932 10 0 BCAERO C[C@H]1CCC[C@H]([NH3+])[C@@H]1C(=O)N1CCC[C@@H]1CO ZINC000055139916 177135673 /nfs/dbraw/zinc/13/56/73/177135673.db2.gz UILLSGIKKQIWAX-WHOHXGKFSA-N 1 0 240.347 0.733 10 0 BCAERO C[C@@H]1[C@@H](C)CCC[C@@H]1NS(=O)(=O)CC[NH3+] ZINC000019256497 177137562 /nfs/dbraw/zinc/13/75/62/177137562.db2.gz ZACOIGMLQRGQNW-AEJSXWLSSA-N 1 0 234.365 0.689 10 0 BCAERO C[C@H]1CCN(C(=O)c2ncccc2O)[C@H](C[NH3+])C1 ZINC000235618773 177155931 /nfs/dbraw/zinc/15/59/31/177155931.db2.gz OBZKNAUMERICNX-UWVGGRQHSA-N 1 0 249.314 0.987 10 0 BCAERO C[C@H]1CCN(C[C@@H]2CCS(=O)(=O)C2)CC[NH2+]1 ZINC000050604608 177162506 /nfs/dbraw/zinc/16/25/06/177162506.db2.gz UPNUBDVHYSJHJV-QWRGUYRKSA-N 1 0 246.376 0.105 10 0 BCAERO C[C@H]1CCN(S(=O)(=O)CC[NH+]2CCCC2)C1 ZINC000336568073 177168391 /nfs/dbraw/zinc/16/83/91/177168391.db2.gz PLDVRUYSCUCCRY-NSHDSACASA-N 1 0 246.376 0.754 10 0 BCAERO C[C@H]1CN(C(=O)[C@@](C)([NH3+])C2CC2)CCO1 ZINC000037478740 177223677 /nfs/dbraw/zinc/22/36/77/177223677.db2.gz HYMSCCRHLYEWGA-KWQFWETISA-N 1 0 212.293 0.361 10 0 BCAERO C[C@H]1CC[C@H](C(=O)N2CCN(C)CC2)C[NH2+]1 ZINC000019505394 177196876 /nfs/dbraw/zinc/19/68/76/177196876.db2.gz NVOARLXWJDARDJ-QWRGUYRKSA-N 1 0 225.336 0.149 10 0 BCAERO C[C@H]1CC[C@H](C(=O)NCc2ccnn2C)C[NH2+]1 ZINC000071335564 177197421 /nfs/dbraw/zinc/19/74/21/177197421.db2.gz RXJAXDVQUNXDQW-UWVGGRQHSA-N 1 0 236.319 0.424 10 0 BCAERO C[C@H]1CC[C@H](CN2C(=O)CCCC2=O)C[NH2+]1 ZINC000062037675 177201989 /nfs/dbraw/zinc/20/19/89/177201989.db2.gz MCOPVLXYTGKRTC-UWVGGRQHSA-N 1 0 224.304 0.914 10 0 BCAERO C[C@@H]1CN(C(=O)[C@H]2C[C@@H]([NH3+])CC[C@@H]2C)CCO1 ZINC000055122751 177204232 /nfs/dbraw/zinc/20/42/32/177204232.db2.gz FWJJDIVZQBHSHN-USZNOCQGSA-N 1 0 240.347 0.997 10 0 BCAERO C[C@H]1CC[C@H](OCC(=O)N(C)C)C[NH2+]1 ZINC000050211490 177205927 /nfs/dbraw/zinc/20/59/27/177205927.db2.gz PAJUDRGCUKZHQI-IUCAKERBSA-N 1 0 200.282 0.232 10 0 BCAERO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(F)(F)F ZINC000062570208 177211931 /nfs/dbraw/zinc/21/19/31/177211931.db2.gz FSTQRTNMBSCTAF-NTSWFWBYSA-N 1 0 210.199 0.758 10 0 BCAERO C[C@H]1CN(C(=O)C(C)(C)[NH3+])[C@@H](C)CO1 ZINC000040920756 177212292 /nfs/dbraw/zinc/21/22/92/177212292.db2.gz UGBPYZGWLOJIKP-YUMQZZPRSA-N 1 0 200.282 0.360 10 0 BCAERO C[C@H]1CN(C(=O)CCC[NH3+])C[C@H](C)O1 ZINC000019515885 177214777 /nfs/dbraw/zinc/21/47/77/177214777.db2.gz BOHGQBPAINLPQO-IUCAKERBSA-N 1 0 200.282 0.361 10 0 BCAERO C[C@H]1CN(C(=O)C[C@H]2CCC[NH2+]C2)CCO1 ZINC000054290521 177217768 /nfs/dbraw/zinc/21/77/68/177217768.db2.gz UUFUAHOKGMCIJR-WDEREUQCSA-N 1 0 226.320 0.623 10 0 BCAERO C[C@H]1CN(C(=O)NCC2CC2)C[C@H]1[NH+](C)C ZINC000336409544 177220153 /nfs/dbraw/zinc/22/01/53/177220153.db2.gz REVUCWOOPXMUFO-GXSJLCMTSA-N 1 0 225.336 0.988 10 0 BCAERO C[C@H]1CN(C(=O)[C@@H]([NH3+])C(C)(C)C)C[C@H](C)O1 ZINC000040457845 177222321 /nfs/dbraw/zinc/22/23/21/177222321.db2.gz MMBZMFUKYNEILV-LPEHRKFASA-N 1 0 228.336 0.996 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N1C[C@H](C)OC[C@H]1C ZINC000235662169 177222916 /nfs/dbraw/zinc/22/29/16/177222916.db2.gz GTXSHZDCNWFKHA-CHWFTXMASA-N 1 0 226.320 0.478 10 0 BCAERO C[C@H]1CN(C(=O)c2cccn2C)C[C@@H]1[NH3+] ZINC000235668344 177228485 /nfs/dbraw/zinc/22/84/85/177228485.db2.gz MHISROBBPMLFPQ-IUCAKERBSA-N 1 0 207.277 0.444 10 0 BCAERO C[C@H]1CN(C(=O)c2ccncc2F)C[C@H]1[NH3+] ZINC000235672644 177229441 /nfs/dbraw/zinc/22/94/41/177229441.db2.gz VCCANGDCYRFNTF-OIBJUYFYSA-N 1 0 223.251 0.640 10 0 BCAERO C[C@H]1CN(C(=O)c2ccncc2)C[C@H]1[NH3+] ZINC000235672222 177229837 /nfs/dbraw/zinc/22/98/37/177229837.db2.gz FQRRATPNSPLIFT-WCBMZHEXSA-N 1 0 205.261 0.501 10 0 BCAERO C[C@H]1CN(C(=O)c2cn[nH]c2)C[C@H]1[NH+](C)C ZINC000089710375 177230881 /nfs/dbraw/zinc/23/08/81/177230881.db2.gz DQCNJSRLZRIMFT-WCBMZHEXSA-N 1 0 222.292 0.432 10 0 BCAERO C[C@H]1CN(CCCn2ccnc2)CC[NH2+]1 ZINC000082925092 177251698 /nfs/dbraw/zinc/25/16/98/177251698.db2.gz MVIVRJPYORNLGD-NSHDSACASA-N 1 0 208.309 0.567 10 0 BCAERO C[C@H]1CN(CCc2ccncc2)CC[NH2+]1 ZINC000077299098 177256060 /nfs/dbraw/zinc/25/60/60/177256060.db2.gz HFWYQQFCMHEGDH-NSHDSACASA-N 1 0 205.305 0.918 10 0 BCAERO C[C@H]1C[N@H+](CCn2cc(N)cn2)CCCO1 ZINC000061913099 177256744 /nfs/dbraw/zinc/25/67/44/177256744.db2.gz WWUQVHRAABLGHX-JTQLQIEISA-N 1 0 224.308 0.576 10 0 BCAERO C[C@@H]1CO[C@@H](C)CN1Cc1cc(C[NH3+])no1 ZINC000052476562 177260381 /nfs/dbraw/zinc/26/03/81/177260381.db2.gz JJZMRVYPUYJUGI-BDAKNGLRSA-N 1 0 225.292 0.743 10 0 BCAERO C[C@H]1CN(Cc2cc(C[NH3+])no2)CCCO1 ZINC000061935618 177260920 /nfs/dbraw/zinc/26/09/20/177260920.db2.gz WDCRXSXKLVRDLY-VIFPVBQESA-N 1 0 225.292 0.744 10 0 BCAERO C[C@H]1CN(Cc2ccccc2)C(=O)[C@H]1[NH3+] ZINC000216074003 177264635 /nfs/dbraw/zinc/26/46/35/177264635.db2.gz VHQDHZUMYNZYFR-ONGXEEELSA-N 1 0 204.273 0.992 10 0 BCAERO C[C@H]1CN(Cc2ccnc(Cl)n2)CC[NH2+]1 ZINC000095069494 177268027 /nfs/dbraw/zinc/26/80/27/177268027.db2.gz YMPFZJDYIXIMKQ-QMMMGPOBSA-N 1 0 226.711 0.924 10 0 BCAERO C[C@H]1C[NH+]=C(NC[C@@H]2CCS(=O)(=O)C2)S1 ZINC000050602958 177281721 /nfs/dbraw/zinc/28/17/21/177281721.db2.gz UPNAJXONTWBNIU-YUMQZZPRSA-N 1 0 248.373 0.502 10 0 BCAERO C[C@H]1C[NH2+]CCN1C(=O)CC(F)(F)F ZINC000054370456 177282571 /nfs/dbraw/zinc/28/25/71/177282571.db2.gz TXMOBHGIDHOTQG-LURJTMIESA-N 1 0 210.199 0.759 10 0 BCAERO C[C@H]1C[NH2+]CCN1C(=O)[C@@H]1C[C@H]1C1CC1 ZINC000125986217 177283197 /nfs/dbraw/zinc/28/31/97/177283197.db2.gz ZYICVMBCOIIJDV-INTQDDNPSA-N 1 0 208.305 0.853 10 0 BCAERO C[C@H]1C[NH2+]CCN1C(=O)C1[C@@H]2CCC[C@H]12 ZINC000126142956 177283350 /nfs/dbraw/zinc/28/33/50/177283350.db2.gz KCFRPBNDTHMQGA-GKDVJIACSA-N 1 0 208.305 0.853 10 0 BCAERO C[C@H]1C[NH2+]CCN1CC(=O)NCc1ccco1 ZINC000054372812 177283992 /nfs/dbraw/zinc/28/39/92/177283992.db2.gz KDGSMMQRRNSIGI-JTQLQIEISA-N 1 0 237.303 0.190 10 0 BCAERO C[C@H]1C[NH2+]CCN1C(=O)[C@H]1C[C@@H]1C1CC1 ZINC000125985990 177284202 /nfs/dbraw/zinc/28/42/02/177284202.db2.gz ZYICVMBCOIIJDV-GDPRMGEGSA-N 1 0 208.305 0.853 10 0 BCAERO C[C@H]1C[NH2+]C[C@@H]1C(=O)NCCc1ccccn1 ZINC000104225554 177285494 /nfs/dbraw/zinc/28/54/94/177285494.db2.gz CUUFZVFJYHRFRO-JQWIXIFHSA-N 1 0 233.315 0.596 10 0 BCAERO C[C@@H]1CN(CCCn2ccnc2)[C@@H](C)C[NH2+]1 ZINC000082934734 177286878 /nfs/dbraw/zinc/28/68/78/177286878.db2.gz VZWIZFKMKQNEIV-NEPJUHHUSA-N 1 0 222.336 0.955 10 0 BCAERO C[C@H]1COCCN1C(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000070252471 177289934 /nfs/dbraw/zinc/28/99/34/177289934.db2.gz MKIMJSJGGFQLHD-QWRGUYRKSA-N 1 0 238.331 0.623 10 0 BCAERO C[C@H]1COCCN1C(=O)c1ccc(C[NH3+])cn1 ZINC000104205431 177290242 /nfs/dbraw/zinc/29/02/42/177290242.db2.gz CPEYKZHAICIEOQ-VIFPVBQESA-N 1 0 235.287 0.401 10 0 BCAERO C[C@H]1COCCN1Cc1cccnc1C(N)=[NH2+] ZINC000061657980 177292878 /nfs/dbraw/zinc/29/28/78/177292878.db2.gz HAPIWWDNVWCXTM-VIFPVBQESA-N 1 0 234.303 0.586 10 0 BCAERO C[C@H]1COCCN1Cc1ccc(C[NH3+])o1 ZINC000052475847 177293037 /nfs/dbraw/zinc/29/30/37/177293037.db2.gz BRNCFTXECFQFJW-VIFPVBQESA-N 1 0 210.277 0.959 10 0 BCAERO C[C@@H]1CN(C(=O)C(C)(C)[NH3+])[C@@H](C)CO1 ZINC000040920754 177300788 /nfs/dbraw/zinc/30/07/88/177300788.db2.gz UGBPYZGWLOJIKP-JGVFFNPUSA-N 1 0 200.282 0.360 10 0 BCAERO C[C@H]1CSC(NC[C@@H]2COCCO2)=[NH+]1 ZINC000038062808 177302851 /nfs/dbraw/zinc/30/28/51/177302851.db2.gz WOZNJLMXSKFWNE-JGVFFNPUSA-N 1 0 216.306 0.483 10 0 BCAERO C[C@H]1CSCCN1C(=O)[C@H]1CCC[NH2+]C1 ZINC000069762067 177305587 /nfs/dbraw/zinc/30/55/87/177305587.db2.gz UYXBVWKOEXAWGH-UWVGGRQHSA-N 1 0 228.361 0.950 10 0 BCAERO C[C@H]1C[C@H]([NH3+])CC[C@@H]1C(=O)NC(C)(C)C(N)=O ZINC000055136401 177364469 /nfs/dbraw/zinc/36/44/69/177364469.db2.gz GIQDZFIOYXMQED-YIZRAAEISA-N 1 0 241.335 0.130 10 0 BCAERO C[C@@H]1CN(C(=O)[C@H]2CC[C@@H]([NH3+])C[C@@H]2C)CCO1 ZINC000055122775 177365605 /nfs/dbraw/zinc/36/56/05/177365605.db2.gz VCMSUPYEHKOIFK-QCNOEVLYSA-N 1 0 240.347 0.997 10 0 BCAERO C[C@H]1C[C@H]1NC(=O)c1ccnc(C[NH3+])c1 ZINC000130252064 177385932 /nfs/dbraw/zinc/38/59/32/177385932.db2.gz ABNKSHAWTXDCJY-OIBJUYFYSA-N 1 0 205.261 0.679 10 0 BCAERO C[C@H]1NC(=O)CC[C@@H]1[NH2+]CCC(C)(C)O ZINC000309160184 177393054 /nfs/dbraw/zinc/39/30/54/177393054.db2.gz YPFURXJLQAXMBZ-BDAKNGLRSA-N 1 0 214.309 0.404 10 0 BCAERO C[C@H]1NC(=O)CC[C@@H]1[NH2+]CCCn1ccnc1 ZINC000282522615 177393138 /nfs/dbraw/zinc/39/31/38/177393138.db2.gz YIQYPDKJLIPZJB-MNOVXSKESA-N 1 0 236.319 0.530 10 0 BCAERO C[C@H]1NC(=O)CC[C@@H]1[NH2+]CCc1ccncc1 ZINC000289305432 177393326 /nfs/dbraw/zinc/39/33/26/177393326.db2.gz ARCSNUWMKSRVOC-PWSUYJOCSA-N 1 0 233.315 0.881 10 0 BCAERO C[C@H]1NC(=O)CC[C@H]1[NH2+]CCn1ccnc1 ZINC000309817386 177393911 /nfs/dbraw/zinc/39/39/11/177393911.db2.gz VNRRZQMKWIWNPD-NXEZZACHSA-N 1 0 222.292 0.140 10 0 BCAERO C[C@H]1NC(=O)CC[C@H]1[NH2+]Cc1cc[nH]n1 ZINC000309117046 177394039 /nfs/dbraw/zinc/39/40/39/177394039.db2.gz LYPZLARLCUJMEK-VXNVDRBHSA-N 1 0 208.265 0.166 10 0 BCAERO C[C@H]1NC(=O)CC[C@H]1[NH2+]Cc1cncn1C ZINC000309733704 177394123 /nfs/dbraw/zinc/39/41/23/177394123.db2.gz BTMODAKAXNFMSB-PSASIEDQSA-N 1 0 222.292 0.177 10 0 BCAERO C[C@H]1NC(=O)CC[C@H]1[NH2+]Cc1cnn(C)c1 ZINC000309769872 177394193 /nfs/dbraw/zinc/39/41/93/177394193.db2.gz KFFYISYFIYBSNV-PSASIEDQSA-N 1 0 222.292 0.177 10 0 BCAERO C[C@H]1[NH2+]CCC[C@@H]1C(=O)Nc1ccc(=O)n(C)c1 ZINC000335597165 177394937 /nfs/dbraw/zinc/39/49/37/177394937.db2.gz NEEJIZOKLPBYLV-KOLCDFICSA-N 1 0 249.314 0.712 10 0 BCAERO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)Cc1cc[nH]n1 ZINC000193501783 177395151 /nfs/dbraw/zinc/39/51/51/177395151.db2.gz TWWMJJQPEGRMCY-SCZZXKLOSA-N 1 0 222.292 0.209 10 0 BCAERO C[C@H]1[NH2+]CCC[C@H]1NC(=O)NC1CCC1 ZINC000127907103 177395735 /nfs/dbraw/zinc/39/57/35/177395735.db2.gz URQLBJWVIVQJBY-PSASIEDQSA-N 1 0 211.309 0.979 10 0 BCAERO C[C@H]1OCCN(C(=O)[C@H]2CC[NH2+]C2)[C@@H]1C ZINC000225616295 177398480 /nfs/dbraw/zinc/39/84/80/177398480.db2.gz GZXLZDTTXRPKRJ-BBBLOLIVSA-N 1 0 212.293 0.232 10 0 BCAERO C[C@H]1SCCN(C(=O)[C@H]2CC[NH2+]C2)[C@@H]1C ZINC000226361198 177412590 /nfs/dbraw/zinc/41/25/90/177412590.db2.gz CRIUFEIQKIUIED-BBBLOLIVSA-N 1 0 228.361 0.948 10 0 BCAERO C[C@H]1[C@H]([NH3+])CCN1C(=O)c1ccncc1F ZINC000309236321 177434670 /nfs/dbraw/zinc/43/46/70/177434670.db2.gz VGRNAMIBYIQKQV-OIBJUYFYSA-N 1 0 223.251 0.782 10 0 BCAERO C[C@]1(C[NH3+])CC(=O)N(Cc2ccccc2)C1=O ZINC000029247577 177459535 /nfs/dbraw/zinc/45/95/35/177459535.db2.gz NXNSRYXLFODNFJ-CYBMUJFWSA-N 1 0 232.283 0.911 10 0 BCAERO O=C(CC[NH2+]C1CC1)NCC[C@H]1CCCO1 ZINC000038097089 487641534 /nfs/dbraw/zinc/64/15/34/487641534.db2.gz PTMBRZRVOOCJNA-LLVKDONJSA-N 1 0 226.320 0.814 10 0 BCAERO OCC1(O)CC[NH+](C[C@@H]2CCC[C@@H](O)C2)CC1 ZINC000313640546 487645204 /nfs/dbraw/zinc/64/52/04/487645204.db2.gz QAUHSEJSNUXSIV-VXGBXAGGSA-N 1 0 243.347 0.357 10 0 BCAERO c1nnc2c(NC[C@H]3CCCC[NH2+]3)nccn12 ZINC000079471049 487647950 /nfs/dbraw/zinc/64/79/50/487647950.db2.gz ZUUCIEBIWFMSJI-SECBINFHSA-N 1 0 232.291 0.678 10 0 BCAERO COc1ncccc1Cn1cc(C[NH3+])nn1 ZINC000087415363 487655174 /nfs/dbraw/zinc/65/51/74/487655174.db2.gz RNLZDGOTCXEVGO-UHFFFAOYSA-N 1 0 219.248 0.189 10 0 BCAERO C[C@]1(C(=O)N[C@H]2CCC[C@@H](O)C2)CC[NH2+]C1 ZINC000219821188 487659615 /nfs/dbraw/zinc/65/96/15/487659615.db2.gz CFTJABLYJXWUEI-UMNHJUIQSA-N 1 0 226.320 0.406 10 0 BCAERO CO[C@H]1C[NH2+][C@@H](C(=O)NCC2(C)CC2)C1 ZINC000228507719 487668570 /nfs/dbraw/zinc/66/85/70/487668570.db2.gz UBNZBWDAEBXDNK-RKDXNWHRSA-N 1 0 212.293 0.280 10 0 BCAERO C[C@@H](O)CCNC(=O)[C@H]1C[NH2+]Cc2ccccc21 ZINC000087620073 487672743 /nfs/dbraw/zinc/67/27/43/487672743.db2.gz SXUJJYLLLOYWET-MFKMUULPSA-N 1 0 248.326 0.761 10 0 BCAERO CCO[C@@H]1CCCN(C(=O)[C@@H](C)[NH2+]C)C1 ZINC000054076669 487683384 /nfs/dbraw/zinc/68/33/84/487683384.db2.gz AVKGBQCYIVIPJW-NXEZZACHSA-N 1 0 214.309 0.622 10 0 BCAERO OCC(CO)[NH2+]Cc1cnc2ccccc2n1 ZINC000087749440 487684115 /nfs/dbraw/zinc/68/41/15/487684115.db2.gz VVKXGGGTDDPMCD-UHFFFAOYSA-N 1 0 233.271 0.073 10 0 BCAERO C[C@H]1CN(C(=O)CC2([NH3+])CC2)CCS1 ZINC000306904740 487684867 /nfs/dbraw/zinc/68/48/67/487684867.db2.gz KIHSWAKJJWTCFG-QMMMGPOBSA-N 1 0 214.334 0.832 10 0 BCAERO CCN(CC[NH3+])c1nccn(CC)c1=O ZINC000082591973 487686176 /nfs/dbraw/zinc/68/61/76/487686176.db2.gz IIHRXBZNJLRPJB-UHFFFAOYSA-N 1 0 210.281 0.048 10 0 BCAERO OC[C@H]1C[C@H](O)C[N@@H+]1CCCC1CCC1 ZINC000660147787 487694814 /nfs/dbraw/zinc/69/48/14/487694814.db2.gz JJOXDFYRNXHHHW-NEPJUHHUSA-N 1 0 213.321 0.994 10 0 BCAERO [NH3+]C1(C(=O)N[C@H]2CCC[C@H](O)C2)CCC1 ZINC000088050449 487696213 /nfs/dbraw/zinc/69/62/13/487696213.db2.gz MKHHZIRTGTXGJP-IUCAKERBSA-N 1 0 212.293 0.288 10 0 BCAERO COC[C@H](O)C[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000398768819 262769822 /nfs/dbraw/zinc/76/98/22/262769822.db2.gz GATIMVNFRMXOFT-NNYUYHANSA-N 1 0 229.320 0.087 10 0 BCAERO COC[C@@H]([NH3+])C(=O)NCc1ccc(C)o1 ZINC000088004095 487698258 /nfs/dbraw/zinc/69/82/58/487698258.db2.gz RACYGDCKNKTODH-SECBINFHSA-N 1 0 212.249 0.178 10 0 BCAERO COC[C@H](C)NC(=O)c1c[nH+]ccc1N ZINC000088111538 487702825 /nfs/dbraw/zinc/70/28/25/487702825.db2.gz IWVVIEBOJAMPOW-ZETCQYMHSA-N 1 0 209.249 0.429 10 0 BCAERO C[C@@H](CO)C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000120967936 490072338 /nfs/dbraw/zinc/07/23/38/490072338.db2.gz USNPBYCYCPTMMN-GHMZBOCLSA-N 1 0 200.326 0.498 10 0 BCAERO C[C@H]1CN(C(=O)CC(C)(C)[NH3+])C[C@H](C)O1 ZINC000082771500 487727626 /nfs/dbraw/zinc/72/76/26/487727626.db2.gz VSMVAGTWNIDSBD-IUCAKERBSA-N 1 0 214.309 0.750 10 0 BCAERO O[C@H](C[NH2+][C@H]1CCCC[C@H]1O)Cn1cccn1 ZINC000250195201 487728773 /nfs/dbraw/zinc/72/87/73/487728773.db2.gz XXACMUTXSJVMOH-GRYCIOLGSA-N 1 0 239.319 0.137 10 0 BCAERO CN(C[C@H]1CCCO1)C(=O)CC(C)(C)[NH3+] ZINC000082772295 487730492 /nfs/dbraw/zinc/73/04/92/487730492.db2.gz CDQJPIHVDXENKZ-SECBINFHSA-N 1 0 214.309 0.751 10 0 BCAERO COC[C@@H]1CCN(C(=O)[C@@H]2CCC[C@H]2C[NH3+])C1 ZINC000250446271 487733168 /nfs/dbraw/zinc/73/31/68/487733168.db2.gz CZAYVVDFDQLXKU-GRYCIOLGSA-N 1 0 240.347 0.856 10 0 BCAERO CCOC[C@H](O)C[NH2+]C[C@H]1CCC[C@H]1O ZINC000250496475 487734019 /nfs/dbraw/zinc/73/40/19/487734019.db2.gz JYEDOXNWBYQOQI-GMTAPVOTSA-N 1 0 217.309 0.134 10 0 BCAERO O[C@H](C[NH2+]C[C@H]1CCC[C@H]1O)C(F)(F)F ZINC000250672113 487738427 /nfs/dbraw/zinc/73/84/27/487738427.db2.gz VFHMGIOCZCUSOP-BWZBUEFSSA-N 1 0 227.226 0.660 10 0 BCAERO CCCCOC[C@@H](O)C[N@H+](C)C[C@@H](O)C1CC1 ZINC000683995355 487739095 /nfs/dbraw/zinc/73/90/95/487739095.db2.gz NVVNPDSPEAGORX-QWHCGFSZSA-N 1 0 245.363 0.867 10 0 BCAERO [NH3+][C@@H]1CC[C@H](C(=O)N[C@@H]2CCC[C@H](O)C2)C1 ZINC000250680239 487739232 /nfs/dbraw/zinc/73/92/32/487739232.db2.gz XZSSPLONJHYXOS-ZDCRXTMVSA-N 1 0 226.320 0.534 10 0 BCAERO O=C(NC[C@H]1CC[NH2+]C1)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000250842277 487742556 /nfs/dbraw/zinc/74/25/56/487742556.db2.gz MFOVTPJWDGNYMK-MMWGEVLESA-N 1 0 208.305 0.758 10 0 BCAERO C[C@@H]1CN(C(=O)[C@@H]2C[C@H]3C[C@H]3C2)CC[NH2+]1 ZINC000250888592 487743138 /nfs/dbraw/zinc/74/31/38/487743138.db2.gz BCRHTEAPIAEQRO-CHWFTXMASA-N 1 0 208.305 0.853 10 0 BCAERO COC[C@H](C)NC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000250973149 487745203 /nfs/dbraw/zinc/74/52/03/487745203.db2.gz GBDQFAKELJHITM-GUBZILKMSA-N 1 0 214.309 0.513 10 0 BCAERO O[C@@H]1CCC[C@H]1[NH+]1CCN(C2CC2)CC1 ZINC000042490902 487752085 /nfs/dbraw/zinc/75/20/85/487752085.db2.gz LMOPRZIBFSQXCP-VXGBXAGGSA-N 1 0 210.321 0.680 10 0 BCAERO C[C@H]1OCC[C@@H]1NC(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000226458622 487752640 /nfs/dbraw/zinc/75/26/40/487752640.db2.gz SQKBRJPWVAEUSP-DBIOUOCHSA-N 1 0 226.320 0.668 10 0 BCAERO C[C@H]([NH3+])CCC(=O)N[C@H]1CCC[C@@H](O)C1 ZINC000226508031 487753803 /nfs/dbraw/zinc/75/38/03/487753803.db2.gz NCQVDTUIRVHFEC-LPEHRKFASA-N 1 0 214.309 0.534 10 0 BCAERO CCN(CC[NH3+])c1ccnc(N(C)C)n1 ZINC000082924642 487755000 /nfs/dbraw/zinc/75/50/00/487755000.db2.gz MCABDYXAIYQCJC-UHFFFAOYSA-N 1 0 209.297 0.328 10 0 BCAERO [NH3+]C[C@H]1CCCN1C(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000251427003 487755805 /nfs/dbraw/zinc/75/58/05/487755805.db2.gz SZQIDBIICIJXLK-LMLFDSFASA-N 1 0 208.305 0.982 10 0 BCAERO C[C@H](C(=O)N[C@H]1CCC[C@@H]1C[NH3+])n1cncn1 ZINC000089091378 487760857 /nfs/dbraw/zinc/76/08/57/487760857.db2.gz IRTDFHLPKNMXHT-BBBLOLIVSA-N 1 0 237.307 0.083 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@@H]1Nc1ncnc2nc[nH]c21 ZINC000089092153 487761945 /nfs/dbraw/zinc/76/19/45/487761945.db2.gz SGVQBIPZVUJOFR-YUMQZZPRSA-N 1 0 232.291 0.892 10 0 BCAERO C[NH2+][C@H](C)C(=O)NC[C@H]1CCCC[C@H]1O ZINC000251532790 487765138 /nfs/dbraw/zinc/76/51/38/487765138.db2.gz GCLGCYPAJLZHAN-OPRDCNLKSA-N 1 0 214.309 0.262 10 0 BCAERO CCc1cc(C(=O)NC[C@H](C)[NH2+]C)n(C)n1 ZINC000234150552 487765166 /nfs/dbraw/zinc/76/51/66/487765166.db2.gz UKNDATIKNBUGGX-QMMMGPOBSA-N 1 0 224.308 0.320 10 0 BCAERO [NH3+]C1CCC(C(=O)NC[C@@H]2CCC[C@@H]2O)CC1 ZINC000089169988 487765372 /nfs/dbraw/zinc/76/53/72/487765372.db2.gz DZQBDTRVUBIXOC-ADPBJBESSA-N 1 0 240.347 0.781 10 0 BCAERO NC(=O)CC[NH2+]C[C@H]1CCCC[C@H]1O ZINC000082994989 487769227 /nfs/dbraw/zinc/76/92/27/487769227.db2.gz TWTOCNSFBWXTAK-RKDXNWHRSA-N 1 0 200.282 0.003 10 0 BCAERO C[C@H](O)CCNC(=O)CCC(C)(C)[NH3+] ZINC000082996246 487769269 /nfs/dbraw/zinc/76/92/69/487769269.db2.gz BULKJSNYBFQKAN-QMMMGPOBSA-N 1 0 202.298 0.391 10 0 BCAERO C[NH2+][C@@H](C)C(=O)NC[C@@H]1CCCC[C@@H]1O ZINC000082995218 487769305 /nfs/dbraw/zinc/76/93/05/487769305.db2.gz GCLGCYPAJLZHAN-GUBZILKMSA-N 1 0 214.309 0.262 10 0 BCAERO CC(C)OC[C@H](O)C[NH2+]CC[C@@H](C)O ZINC000082997180 487770387 /nfs/dbraw/zinc/77/03/87/487770387.db2.gz UFULUKRXZVOHEH-NXEZZACHSA-N 1 0 205.298 0.133 10 0 BCAERO [NH3+][C@H]1CC[C@H](C(=O)N[C@H]2CCCC[C@@H]2O)C1 ZINC000227321966 487771429 /nfs/dbraw/zinc/77/14/29/487771429.db2.gz SPPIMLKNKHGWLF-NAKRPEOUSA-N 1 0 226.320 0.534 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1O ZINC000227327486 487772192 /nfs/dbraw/zinc/77/21/92/487772192.db2.gz MGLPQFKYHUTRSZ-NNYUYHANSA-N 1 0 240.347 0.781 10 0 BCAERO [NH3+][C@@H](CNC(=O)[C@@H]1C[C@H]2C[C@H]2C1)C1CC1 ZINC000251596016 487774966 /nfs/dbraw/zinc/77/49/66/487774966.db2.gz ZSASJWQLDHLIEM-VLEAKVRGSA-N 1 0 208.305 0.886 10 0 BCAERO OCCC[N@H+](CCO)C[C@H]1CCC[C@@H](O)C1 ZINC000385319107 487781057 /nfs/dbraw/zinc/78/10/57/487781057.db2.gz AWLSDNVBXMYQIR-NWDGAFQWSA-N 1 0 231.336 0.214 10 0 BCAERO OCCC[N@H+](CCO)C[C@H]1CCC[C@H](O)C1 ZINC000385319109 487780646 /nfs/dbraw/zinc/78/06/46/487780646.db2.gz AWLSDNVBXMYQIR-RYUDHWBXSA-N 1 0 231.336 0.214 10 0 BCAERO CC(C)[C@@H]([NH3+])CC(=O)N[C@@H]1CCCC[C@H]1O ZINC000227328432 487784113 /nfs/dbraw/zinc/78/41/13/487784113.db2.gz COVNHOUDEDJQFB-HBNTYKKESA-N 1 0 228.336 0.780 10 0 BCAERO CN(C(=O)[C@H]1[C@@H]2COC[C@@H]21)[C@@H]1CCC[NH2+]CC1 ZINC000385704842 487796214 /nfs/dbraw/zinc/79/62/14/487796214.db2.gz UPDNKHQAQPRTEI-WYUUTHIRSA-N 1 0 238.331 0.479 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)N[C@H]2CCC[NH2+][C@@H]2C)O1 ZINC000251772538 487797021 /nfs/dbraw/zinc/79/70/21/487797021.db2.gz KTJKIYLPTPVARG-CHWFTXMASA-N 1 0 226.320 0.811 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)N[C@H]2CCC[C@H]2C[NH3+])O1 ZINC000251923153 487807883 /nfs/dbraw/zinc/80/78/83/487807883.db2.gz UTJKWXOWJOIYSE-VPOLOUISSA-N 1 0 226.320 0.798 10 0 BCAERO CCCNC(=O)CNC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000089450653 487817911 /nfs/dbraw/zinc/81/79/11/487817911.db2.gz NMQUBKGHPAJWTB-VHSXEESVSA-N 1 0 241.335 0.004 10 0 BCAERO Cn1cc(NC(=O)[C@H]2CCC[C@H]2C[NH3+])ccc1=O ZINC000089455040 487819276 /nfs/dbraw/zinc/81/92/76/487819276.db2.gz PSAWIEOGHRIGSS-ONGXEEELSA-N 1 0 249.314 0.699 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)NC[C@@H]1CCCOC1 ZINC000089458197 487819745 /nfs/dbraw/zinc/81/97/45/487819745.db2.gz YZSBMBSGKMEHGQ-SDDRHHMPSA-N 1 0 240.347 0.904 10 0 BCAERO Cn1ccnc1CNC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000089462355 487822520 /nfs/dbraw/zinc/82/25/20/487822520.db2.gz VVBZLBZCMRHWTB-VHSXEESVSA-N 1 0 236.319 0.411 10 0 BCAERO C[NH2+][C@@H](C)CNC(=O)CCOCC(F)(F)F ZINC000234417199 487823828 /nfs/dbraw/zinc/82/38/28/487823828.db2.gz FIIPSROEAAPOQV-ZETCQYMHSA-N 1 0 242.241 0.680 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)N1CCn2ccnc2C1 ZINC000089462058 487824019 /nfs/dbraw/zinc/82/40/19/487824019.db2.gz YUWHRBHLJXGEFP-WDEREUQCSA-N 1 0 248.330 0.600 10 0 BCAERO O=C(N[C@H]1CCC[NH2+]C1)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000252476096 487824991 /nfs/dbraw/zinc/82/49/91/487824991.db2.gz DLBCUMOUHBAVET-VLEAKVRGSA-N 1 0 208.305 0.901 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[C@@H]1O ZINC000089482582 487826005 /nfs/dbraw/zinc/82/60/05/487826005.db2.gz DGWYXWOETFUXJC-BJDJZHNGSA-N 1 0 240.347 0.639 10 0 BCAERO C[NH2+][C@H]1CCN(C(=O)[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000252682029 487828704 /nfs/dbraw/zinc/82/87/04/487828704.db2.gz BKRWQOXWMROBMZ-VLEAKVRGSA-N 1 0 208.305 0.853 10 0 BCAERO COC1(CC(=O)N2C[C@H](C)[C@H]([NH3+])C2)CCC1 ZINC000234587981 487841679 /nfs/dbraw/zinc/84/16/79/487841679.db2.gz HAPKPGJYVQFQIN-VHSXEESVSA-N 1 0 226.320 0.751 10 0 BCAERO [NH3+]C[C@@H]1CCCCN1C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC000395216936 487842735 /nfs/dbraw/zinc/84/27/35/487842735.db2.gz WXBTVWUHCZREIR-UKKRHICBSA-N 1 0 224.304 0.219 10 0 BCAERO CCOC(=O)[C@@H](C)NC(=O)C[C@@H]([NH3+])C(C)C ZINC000129008047 591206730 /nfs/dbraw/zinc/20/67/30/591206730.db2.gz DNWWNKKWAOYURI-RKDXNWHRSA-N 1 0 230.308 0.428 10 0 BCAERO CC(C)(CO)[NH2+]C[C@@](C)(O)C(F)(F)F ZINC000308608257 631445037 /nfs/dbraw/zinc/44/50/37/631445037.db2.gz JRMNXCLIECXNHN-SSDOTTSWSA-N 1 0 215.215 0.660 10 0 BCAERO CO[C@@H]1C[N@H+](C[C@@H]2CCC[C@H](O)C2)C[C@H]1O ZINC000395332395 487852955 /nfs/dbraw/zinc/85/29/55/487852955.db2.gz RWRPWURYIBEUMQ-WRWGMCAJSA-N 1 0 229.320 0.229 10 0 BCAERO CO[C@@H]1C[N@H+](C[C@H]2CCC[C@@H](O)C2)C[C@H]1O ZINC000395332393 487853085 /nfs/dbraw/zinc/85/30/85/487853085.db2.gz RWRPWURYIBEUMQ-IRCOFANPSA-N 1 0 229.320 0.229 10 0 BCAERO COC[C@H](C)NC(=O)[C@@H]1C[C@H](C)CC[NH2+]1 ZINC000167375299 487854088 /nfs/dbraw/zinc/85/40/88/487854088.db2.gz IKZLJUXMXZTUAV-UTLUCORTSA-N 1 0 214.309 0.526 10 0 BCAERO COC[C@H](CN1CC[N@@H+]2CCC[C@@H]2C1)OC ZINC000234708647 487861439 /nfs/dbraw/zinc/86/14/39/487861439.db2.gz IESVJFRWGBYOBM-NEPJUHHUSA-N 1 0 228.336 0.428 10 0 BCAERO CC[C@@](C)(O)C[N@H+](C)C[C@@H]1CN(C)CCO1 ZINC000681950821 487870214 /nfs/dbraw/zinc/87/02/14/487870214.db2.gz CLONNWZOMBDWBH-NWDGAFQWSA-N 1 0 230.352 0.410 10 0 BCAERO COC[C@@H](C)[NH2+]CC[C@@H]1CCNC1=O ZINC000395889138 487880529 /nfs/dbraw/zinc/88/05/29/487880529.db2.gz KJHQXUVXSOJHFL-RKDXNWHRSA-N 1 0 200.282 0.137 10 0 BCAERO CO[C@H]1CCN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000234799786 487880787 /nfs/dbraw/zinc/88/07/87/487880787.db2.gz NEHAQAJGWAABQX-OUAUKWLOSA-N 1 0 226.320 0.609 10 0 BCAERO COCCOC[C@H](O)C[NH2+]CC[C@@H]1CCCO1 ZINC000234894142 487887388 /nfs/dbraw/zinc/88/73/88/487887388.db2.gz LGNJGGCITVBIHH-NEPJUHHUSA-N 1 0 247.335 0.169 10 0 BCAERO COCCOC[C@H](O)C[NH2+][C@@H](C)C(C)C ZINC000234903447 487889853 /nfs/dbraw/zinc/88/98/53/487889853.db2.gz GLKULFWLOOQDAE-WDEREUQCSA-N 1 0 219.325 0.644 10 0 BCAERO COc1cccnc1N1C[C@H]([NH3+])[C@@H](C)C1 ZINC000234947094 487896073 /nfs/dbraw/zinc/89/60/73/487896073.db2.gz CVABCAYQRPWNDC-IUCAKERBSA-N 1 0 207.277 0.874 10 0 BCAERO Cc1ccnc(N2CC[C@@H]3OCC[NH2+][C@@H]3C2)n1 ZINC000403977881 487904245 /nfs/dbraw/zinc/90/42/45/487904245.db2.gz ADVGHIQLFWRNHJ-MNOVXSKESA-N 1 0 234.303 0.352 10 0 BCAERO CC(C)[C@H]1C[NH2+]CCN1c1ncccn1 ZINC000083344861 487904775 /nfs/dbraw/zinc/90/47/75/487904775.db2.gz HGEDQQUHEFDKJQ-SNVBAGLBSA-N 1 0 206.293 0.911 10 0 BCAERO O=C(Cc1ccccc1O)NC[C@H]1CC[NH2+]C1 ZINC000157316043 487909314 /nfs/dbraw/zinc/90/93/14/487909314.db2.gz CUWKEJYNRGPCAL-JTQLQIEISA-N 1 0 234.299 0.660 10 0 BCAERO CN(Cc1ncc[nH]1)C(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000080530536 487910007 /nfs/dbraw/zinc/91/00/07/487910007.db2.gz OYHJZXBDKOTKSI-ZJUUUORDSA-N 1 0 236.319 0.886 10 0 BCAERO CN(Cc1ncc[nH]1)C(=O)C[C@H]1CCC[NH2+]C1 ZINC000080530648 487912207 /nfs/dbraw/zinc/91/22/07/487912207.db2.gz BFXSADNGBKNHGV-SNVBAGLBSA-N 1 0 236.319 0.758 10 0 BCAERO CCC[C@@H](O)CNC(=O)C1CCC([NH3+])CC1 ZINC000157622580 487915543 /nfs/dbraw/zinc/91/55/43/487915543.db2.gz NXRPSHJGPFFLCB-VQXHTEKXSA-N 1 0 228.336 0.781 10 0 BCAERO C[C@@]1(NC(=O)C2CCC([NH3+])CC2)CCOC1 ZINC000229461984 487916059 /nfs/dbraw/zinc/91/60/59/487916059.db2.gz FZCBOOYSNIJHAO-RTYFJBAXSA-N 1 0 226.320 0.799 10 0 BCAERO COC[C@H]([NH3+])C(=O)N1CCC[C@H](OC(C)C)C1 ZINC000404600386 487928239 /nfs/dbraw/zinc/92/82/39/487928239.db2.gz LNVMNPCHBXIDLL-QWRGUYRKSA-N 1 0 244.335 0.376 10 0 BCAERO CC[C@H]1CN(C(=O)[C@@H]2CCCO2)CC[C@H]1[NH3+] ZINC000157902320 487928937 /nfs/dbraw/zinc/92/89/37/487928937.db2.gz DGONGOZEGYHGEI-AXFHLTTASA-N 1 0 226.320 0.751 10 0 BCAERO [NH3+]C[C@H]1CCC[C@@H]1C(=O)NCCc1ncc[nH]1 ZINC000157933514 487930351 /nfs/dbraw/zinc/93/03/51/487930351.db2.gz TVAPQMIQMAWTTD-ZJUUUORDSA-N 1 0 236.319 0.443 10 0 BCAERO O=C(CC[C@H]1CCC[NH2+]1)NCc1cc[nH]n1 ZINC000309521951 487934785 /nfs/dbraw/zinc/93/47/85/487934785.db2.gz CFHOOWOASIGDBS-SECBINFHSA-N 1 0 222.292 0.558 10 0 BCAERO COC[C@H](C)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000158021145 487935421 /nfs/dbraw/zinc/93/54/21/487935421.db2.gz WBZXUWIIWYCKEJ-DTWKUNHWSA-N 1 0 200.282 0.219 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@H]1CCC[C@H]1O ZINC000235291857 487940696 /nfs/dbraw/zinc/94/06/96/487940696.db2.gz HFQNBJGBSHMTES-GWOFURMSSA-N 1 0 226.320 0.119 10 0 BCAERO COc1c(N)ncnc1NCC1CC(O)C1 ZINC000134913649 323025947 /nfs/dbraw/zinc/02/59/47/323025947.db2.gz HJNLGOWTRZCHPG-UHFFFAOYSA-N 1 0 224.264 0.250 10 0 BCAERO CCn1c(C)nnc1CN(C)C1CC([NH3+])C1 ZINC000572644077 323057359 /nfs/dbraw/zinc/05/73/59/323057359.db2.gz HMSANTDMZYMCOV-UHFFFAOYSA-N 1 0 223.324 0.528 10 0 BCAERO CC(C)SCC(=O)N1C[C@H](C)[C@H]([NH3+])C1 ZINC000570831851 323072116 /nfs/dbraw/zinc/07/21/16/323072116.db2.gz FMXCQCHTAIEKKC-DTWKUNHWSA-N 1 0 216.350 0.934 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N(C)Cc1cccc(O)c1 ZINC000159764804 323075248 /nfs/dbraw/zinc/07/52/48/323075248.db2.gz QWGXBRYSAPNUII-LLVKDONJSA-N 1 0 238.287 0.324 10 0 BCAERO CC(C)(C)n1cc(C[NH2+]CC2CC(O)C2)nn1 ZINC000232528177 323101806 /nfs/dbraw/zinc/10/18/06/323101806.db2.gz DUGZACZDRBALHC-UHFFFAOYSA-N 1 0 238.335 0.894 10 0 BCAERO CC1(S(=O)(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)CC1 ZINC000563621573 323131975 /nfs/dbraw/zinc/13/19/75/323131975.db2.gz ABFSKNJNOAADDC-GUBZILKMSA-N 1 0 244.360 0.538 10 0 BCAERO Cn1nnnc1NCC1([NH3+])CCCCC1 ZINC000308898103 323181195 /nfs/dbraw/zinc/18/11/95/323181195.db2.gz JIYFROGHYVNSIM-UHFFFAOYSA-N 1 0 210.285 0.284 10 0 BCAERO C[C@H](O)[C@H]1CCC[N@H+](CC2(O)CCC2)C1 ZINC000535557929 323184418 /nfs/dbraw/zinc/18/44/18/323184418.db2.gz CKXGQNYZUIUUQY-QWRGUYRKSA-N 1 0 213.321 0.994 10 0 BCAERO C[C@H]1CC[C@@H](O)C[N@@H+]1CCc1cn[nH]c1 ZINC000399330210 323203904 /nfs/dbraw/zinc/20/39/04/323203904.db2.gz OEHRRXRVEKIKLM-GXSJLCMTSA-N 1 0 209.293 0.797 10 0 BCAERO COC(=O)CC[N@@H+]1C[C@H](O)CC[C@H]1C ZINC000399328857 323203931 /nfs/dbraw/zinc/20/39/31/323203931.db2.gz XSJQVHLTHGYQAD-RKDXNWHRSA-N 1 0 201.266 0.395 10 0 BCAERO CCC[C@@H](C(=O)N1CCS(=O)CC1)[NH+](C)C ZINC000152479686 323342393 /nfs/dbraw/zinc/34/23/93/323342393.db2.gz BXJNHVLSPCCZGH-JTQLQIEISA-N 1 0 246.376 0.308 10 0 BCAERO CC1(C)CCC([C@H](O)[C@@H]([NH3+])CO)CC1 ZINC000306690587 323948728 /nfs/dbraw/zinc/94/87/28/323948728.db2.gz MRFATEOTGWGPFZ-UWVGGRQHSA-N 1 0 201.310 0.883 10 0 BCAERO [NH3+]Cc1c(Br)nc2n1CCOC2 ZINC000536952450 323958898 /nfs/dbraw/zinc/95/88/98/323958898.db2.gz BOXJKRUNADXHPD-UHFFFAOYSA-N 1 0 232.081 0.635 10 0 BCAERO CON(C)C(=O)C1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000536958720 323970453 /nfs/dbraw/zinc/97/04/53/323970453.db2.gz KEFPHPRHGFKNQJ-HTQZYQBOSA-N 1 0 200.282 0.783 10 0 BCAERO CCOCC(=O)N[C@H]1CCC[N@H+](CC)C1 ZINC000060416659 324031134 /nfs/dbraw/zinc/03/11/34/324031134.db2.gz JHFLNLIHASUIRN-JTQLQIEISA-N 1 0 214.309 0.623 10 0 BCAERO CCOC(=O)N1CC[NH+](C[C@@](C)(O)CC)CC1 ZINC000123015502 324076429 /nfs/dbraw/zinc/07/64/29/324076429.db2.gz HRVUKTVGOPCTPK-LBPRGKRZSA-N 1 0 244.335 0.922 10 0 BCAERO COC[C@H]([NH3+])C(=O)NCCCC1CC1 ZINC000157320601 324130415 /nfs/dbraw/zinc/13/04/15/324130415.db2.gz UJXYZFJHHAODDU-VIFPVBQESA-N 1 0 200.282 0.267 10 0 BCAERO C[NH+](C)C[C@@H]1CN(CC[C@@H]2CCCO2)CCO1 ZINC000189222425 324192673 /nfs/dbraw/zinc/19/26/73/324192673.db2.gz KFJWRHKJZFMKSM-QWHCGFSZSA-N 1 0 242.363 0.818 10 0 BCAERO C[C@@]1(C(=O)Nc2cncnc2)CCCC[NH2+]1 ZINC000232088822 324209244 /nfs/dbraw/zinc/20/92/44/324209244.db2.gz QTVIWHSTFILLIK-NSHDSACASA-N 1 0 220.276 0.947 10 0 BCAERO Cc1cc(CNC(=O)[C@H]2CCC[NH2+]C2)[nH]n1 ZINC000083904818 487963977 /nfs/dbraw/zinc/96/39/77/487963977.db2.gz KLGOABUBEVKRLC-VIFPVBQESA-N 1 0 222.292 0.334 10 0 BCAERO COC(=O)C[C@@H](C)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000130455990 325053261 /nfs/dbraw/zinc/05/32/61/325053261.db2.gz QWLXKQHNEJSEDI-ZJUUUORDSA-N 1 0 242.319 0.348 10 0 BCAERO C[C@H](NC(=O)c1ccc(C[NH+](C)C)cc1)C(N)=O ZINC000073523970 325202572 /nfs/dbraw/zinc/20/25/72/325202572.db2.gz ZPHTVMKRYVNLMV-VIFPVBQESA-N 1 0 249.314 0.352 10 0 BCAERO CCOC[C@@H](O)C[NH2+][C@@H]1CCO[C@@H]1C ZINC000134079946 325342257 /nfs/dbraw/zinc/34/22/57/325342257.db2.gz RQXFIIASMQNEQT-KXUCPTDWSA-N 1 0 203.282 0.151 10 0 BCAERO [NH3+]C[C@@H]1CCCN1C(=O)[C@H]1CC12CCOCC2 ZINC000565538369 325925112 /nfs/dbraw/zinc/92/51/12/325925112.db2.gz UESWYOSPWGWJGC-WDEREUQCSA-N 1 0 238.331 0.753 10 0 BCAERO COCC1(NC(=O)[C@@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000566098615 325994582 /nfs/dbraw/zinc/99/45/82/325994582.db2.gz DXBUXZIJMJCESM-NXEZZACHSA-N 1 0 226.320 0.670 10 0 BCAERO CC(C)(O)C[NH2+]CC[C@H](O)C(F)(F)F ZINC000566620752 326068898 /nfs/dbraw/zinc/06/88/98/326068898.db2.gz UWWPYLSDEYFTLG-LURJTMIESA-N 1 0 215.215 0.660 10 0 BCAERO C[NH2+][C@H](C)C(=O)N1CCO[C@@H](C(C)C)C1 ZINC000566689964 326075182 /nfs/dbraw/zinc/07/51/82/326075182.db2.gz XFPYQDPLQIIJOK-NXEZZACHSA-N 1 0 214.309 0.478 10 0 BCAERO CC(C)(C)[C@@H](O)C[NH2+]CCN1C(=O)CCC1=O ZINC000405452967 326113627 /nfs/dbraw/zinc/11/36/27/326113627.db2.gz QNXASKLUHYKJCL-VIFPVBQESA-N 1 0 242.319 0.132 10 0 BCAERO CCC[C@H](C(=O)N1CCCO1)[NH+](C)C ZINC000154818977 326165849 /nfs/dbraw/zinc/16/58/49/326165849.db2.gz YYHWHYSQNCSVIQ-SECBINFHSA-N 1 0 200.282 0.881 10 0 BCAERO CC(C)[N@H+]1C[C@H](NC(=O)CN(C)C)[C@@H](C)C1 ZINC000155420836 326195389 /nfs/dbraw/zinc/19/53/89/326195389.db2.gz FSTISTNFMUFNCW-QWRGUYRKSA-N 1 0 227.352 0.393 10 0 BCAERO CCC[C@H](C(=O)N[C@H](C)CCO)[NH+](C)C ZINC000155779379 326211182 /nfs/dbraw/zinc/21/11/82/326211182.db2.gz NKJAMVJGTLSMRD-NXEZZACHSA-N 1 0 216.325 0.604 10 0 BCAERO CC(C)N1CC[C@@H]([NH2+]C[C@@H](O)C(C)(C)C)C1=O ZINC000567891616 326277555 /nfs/dbraw/zinc/27/75/55/326277555.db2.gz MBSYJBSLWARMMF-GHMZBOCLSA-N 1 0 242.363 0.992 10 0 BCAERO CCc1nnc(CN2CC[C@H]([NH3+])[C@H](C)C2)n1C ZINC000568512305 326361890 /nfs/dbraw/zinc/36/18/90/326361890.db2.gz WBWIGOATJXECDD-ZJUUUORDSA-N 1 0 237.351 0.547 10 0 BCAERO CC(C)n1nnnc1CN1C[C@H](C[NH3+])C[C@@H]1C ZINC000568765619 326376432 /nfs/dbraw/zinc/37/64/32/326376432.db2.gz OVKYZGRACXGRSR-UWVGGRQHSA-N 1 0 238.339 0.423 10 0 BCAERO Cc1ccc(O)c(CN2CCO[C@@H]3C[NH2+]C[C@@H]32)n1 ZINC000568963167 326383872 /nfs/dbraw/zinc/38/38/72/326383872.db2.gz JZUYIGNKNXJAGN-WCQYABFASA-N 1 0 249.314 0.268 10 0 BCAERO COC[C@H]1CN(C(=O)[C@@]2(C)CCC[NH2+]2)CCO1 ZINC000569003255 326386341 /nfs/dbraw/zinc/38/63/41/326386341.db2.gz XIYATWVHJRMNTQ-ZYHUDNBSSA-N 1 0 242.319 0.002 10 0 BCAERO COC[C@H]1CN(C(=O)[C@]2(C)CCC[NH2+]2)CCO1 ZINC000569003253 326386416 /nfs/dbraw/zinc/38/64/16/326386416.db2.gz XIYATWVHJRMNTQ-PWSUYJOCSA-N 1 0 242.319 0.002 10 0 BCAERO Cc1cnc(CN2CC[C@H]3OCC[NH2+][C@H]3C2)o1 ZINC000572847531 326414693 /nfs/dbraw/zinc/41/46/93/326414693.db2.gz FKTDQSKUVOVLCX-WDEREUQCSA-N 1 0 237.303 0.546 10 0 BCAERO C[C@@H]1C[N@H+](C[C@@H]2CCC[C@H](O)C2)C[C@H]1O ZINC000387900685 487983855 /nfs/dbraw/zinc/98/38/55/487983855.db2.gz UQXFKCXPAPADRH-WISYIIOYSA-N 1 0 213.321 0.850 10 0 BCAERO C[C@]1(C(=O)NCc2cscn2)CCC[NH2+]1 ZINC000070619419 487984800 /nfs/dbraw/zinc/98/48/00/487984800.db2.gz GWFBAPOOBOBBCK-SNVBAGLBSA-N 1 0 225.317 0.901 10 0 BCAERO CC1(NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)CCOCC1 ZINC000229902845 487986855 /nfs/dbraw/zinc/98/68/55/487986855.db2.gz MKABNZSMFODJGG-NXEZZACHSA-N 1 0 226.320 0.799 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)N(C)[C@H]1CCOC1 ZINC000134689517 487994309 /nfs/dbraw/zinc/99/43/09/487994309.db2.gz NDHAXZVMGHJBKT-VHSXEESVSA-N 1 0 214.309 0.607 10 0 BCAERO CC(C)OCCNC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000159125654 487994626 /nfs/dbraw/zinc/99/46/26/487994626.db2.gz ATEHNLAZVDXFIJ-NSHDSACASA-N 1 0 228.336 0.917 10 0 BCAERO CC(C)OCCNC(=O)[C@@]1(C)CCC[NH2+]1 ZINC000159131811 487995135 /nfs/dbraw/zinc/99/51/35/487995135.db2.gz JVKUDZGOAZXSRQ-LLVKDONJSA-N 1 0 214.309 0.670 10 0 BCAERO Cc1cc(C(=O)N2C[C@H]([NH3+])[C@@H](C)C2)n(C)n1 ZINC000235653968 487998741 /nfs/dbraw/zinc/99/87/41/487998741.db2.gz GACZMQJMNXRDPS-CBAPKCEASA-N 1 0 222.292 0.148 10 0 BCAERO CC[C@H]([NH3+])c1cn(Cc2nccn2CC)nn1 ZINC000229934392 487999763 /nfs/dbraw/zinc/99/97/63/487999763.db2.gz BVTNMNBWCOJYPG-VIFPVBQESA-N 1 0 234.307 0.953 10 0 BCAERO C[C@@H]1CSC[C@@H]1[NH2+]C[C@@H]1CC(=O)N(C)C1 ZINC000668616682 488010192 /nfs/dbraw/zinc/01/01/92/488010192.db2.gz PAVSBXOGHTWFRB-UTLUCORTSA-N 1 0 228.361 0.806 10 0 BCAERO CC(C)[NH2+]CCC(=O)N[C@@H](C(N)=O)C(C)C ZINC000159352666 488022693 /nfs/dbraw/zinc/02/26/93/488022693.db2.gz FZPDLXHIJIMXKI-SNVBAGLBSA-N 1 0 229.324 0.001 10 0 BCAERO Cc1cnn(CC[NH2+][C@H]2CCCNC(=O)C2)c1 ZINC000235954128 488033098 /nfs/dbraw/zinc/03/30/98/488033098.db2.gz JJEGMDQIIOYCTD-NSHDSACASA-N 1 0 236.319 0.450 10 0 BCAERO Cc1nnc(NC[C@H]2COCC[NH2+]2)s1 ZINC000235951132 488033279 /nfs/dbraw/zinc/03/32/79/488033279.db2.gz SFDXVUYSDHSGFB-ZETCQYMHSA-N 1 0 214.294 0.247 10 0 BCAERO Cc1cc2c(NC[C@@H]3COCC[NH2+]3)nccn2n1 ZINC000235980854 488034548 /nfs/dbraw/zinc/03/45/48/488034548.db2.gz BTLALCXJZFCQIF-SNVBAGLBSA-N 1 0 247.302 0.438 10 0 BCAERO Cc1noc2ncnc(NC[C@H]3COCC[NH2+]3)c12 ZINC000235970252 488034592 /nfs/dbraw/zinc/03/45/92/488034592.db2.gz WDNQLWKABGPKLR-QMMMGPOBSA-N 1 0 249.274 0.327 10 0 BCAERO Cc1nnsc1C(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000084212616 488037528 /nfs/dbraw/zinc/03/75/28/488037528.db2.gz UQNNPVRQZCLFCP-YUMQZZPRSA-N 1 0 240.332 0.704 10 0 BCAERO O=C(C[NH2+]C1CC1)NC[C@H]1CCC[C@H]1O ZINC000084238520 488039780 /nfs/dbraw/zinc/03/97/80/488039780.db2.gz SJUIIBFUVIMNHW-PSASIEDQSA-N 1 0 212.293 0.016 10 0 BCAERO O=C(C[NH2+]C1CC1)NC[C@@H]1CCC[C@@H]1O ZINC000084238529 488039755 /nfs/dbraw/zinc/03/97/55/488039755.db2.gz SJUIIBFUVIMNHW-WPRPVWTQSA-N 1 0 212.293 0.016 10 0 BCAERO [NH3+]CCCCC(=O)NC[C@@H]1CCC[C@@H]1O ZINC000084238703 488039408 /nfs/dbraw/zinc/03/94/08/488039408.db2.gz PJZYWFLIIKMZDA-UWVGGRQHSA-N 1 0 214.309 0.393 10 0 BCAERO CN1CCN(C(=O)[C@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000084308546 488042453 /nfs/dbraw/zinc/04/24/53/488042453.db2.gz JOABIALIKKYGQS-MNOVXSKESA-N 1 0 225.336 0.135 10 0 BCAERO [NH3+]C[C@H]1CCC[C@@H]1C(=O)N1CCSCC1 ZINC000084309081 488043126 /nfs/dbraw/zinc/04/31/26/488043126.db2.gz VTADLBNXAYWLGK-ZJUUUORDSA-N 1 0 228.361 0.937 10 0 BCAERO C[NH+](C)CCNC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000084308626 488043234 /nfs/dbraw/zinc/04/32/34/488043234.db2.gz MRLIZTSGGGMNSD-ZJUUUORDSA-N 1 0 213.325 0.039 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)N[C@@H]2CC[NH2+][C@H]2C)O1 ZINC000309042092 488047311 /nfs/dbraw/zinc/04/73/11/488047311.db2.gz KQSQRCFRNCTYMU-UTINFBMNSA-N 1 0 212.293 0.421 10 0 BCAERO O=C(C[C@@H]1CC[NH2+]C1)N[C@@H]1CCCOC1 ZINC000084383506 488049116 /nfs/dbraw/zinc/04/91/16/488049116.db2.gz KXROHGNFEYVFKP-VHSXEESVSA-N 1 0 212.293 0.281 10 0 BCAERO [NH3+]C[C@@H](NC(=O)c1nnc[nH]1)C1CCCC1 ZINC000236270533 488055670 /nfs/dbraw/zinc/05/56/70/488055670.db2.gz WDNFZSMLIWAOAP-MRVPVSSYSA-N 1 0 223.280 0.052 10 0 BCAERO [NH3+][C@H]1CCC[C@@H](C(=O)NCCCCO)C1 ZINC000236318692 488056382 /nfs/dbraw/zinc/05/63/82/488056382.db2.gz UXLACTFOVVTZMK-ZJUUUORDSA-N 1 0 214.309 0.393 10 0 BCAERO CN1CCO[C@H](C[NH2+][C@H]2CCOC(C)(C)C2)C1 ZINC000091666997 488057790 /nfs/dbraw/zinc/05/77/90/488057790.db2.gz FSUKAIHVAVPAIG-NWDGAFQWSA-N 1 0 242.363 0.864 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)NCCn1ccnc1 ZINC000128997379 488062953 /nfs/dbraw/zinc/06/29/53/488062953.db2.gz WUYWBFMJXFHQNF-SNVBAGLBSA-N 1 0 224.308 0.373 10 0 BCAERO CO[C@]1(CO)CCC[N@@H+]([C@H]2CCOC2)C1 ZINC000401788460 488066478 /nfs/dbraw/zinc/06/64/78/488066478.db2.gz VEOSWORJLKUZER-WDEREUQCSA-N 1 0 215.293 0.249 10 0 BCAERO CO[C@](C)(C[NH2+]C[C@H]1CN(C)CCO1)C1CC1 ZINC000310201291 488074868 /nfs/dbraw/zinc/07/48/68/488074868.db2.gz BXGYCCHLZUCXDN-QWHCGFSZSA-N 1 0 242.363 0.722 10 0 BCAERO CC[C@H]1CN(C(=O)[C@H]2CCCO2)CC[C@H]1[NH3+] ZINC000166394970 488079961 /nfs/dbraw/zinc/07/99/61/488079961.db2.gz DGONGOZEGYHGEI-HBNTYKKESA-N 1 0 226.320 0.751 10 0 BCAERO CN(C[C@@H]1CC[N@H+](C)C1)C(=O)CCCCO ZINC000092174440 488085572 /nfs/dbraw/zinc/08/55/72/488085572.db2.gz FEDXOMWHKPHKMG-LLVKDONJSA-N 1 0 228.336 0.559 10 0 BCAERO C[C@@H]1C[C@H](C(=O)N2CCC[C@H]([NH3+])C2)CCO1 ZINC000257751743 488087942 /nfs/dbraw/zinc/08/79/42/488087942.db2.gz YUZTZTNVEQQEBV-MXWKQRLJSA-N 1 0 226.320 0.751 10 0 BCAERO [NH3+]C[C@H]1CCC[C@@H]1C(=O)NCCOCC1CC1 ZINC000227424925 488089987 /nfs/dbraw/zinc/08/99/87/488089987.db2.gz OOWCXJMLNJQAPR-NEPJUHHUSA-N 1 0 240.347 0.904 10 0 BCAERO CCNC(=O)CN(CC)C(=O)C[C@@H]([NH3+])C(C)C ZINC000136376968 488100490 /nfs/dbraw/zinc/10/04/90/488100490.db2.gz OWUWKBMJDPYONA-SNVBAGLBSA-N 1 0 243.351 0.344 10 0 BCAERO CC(C)[NH2+]CCC(=O)NCC[C@H](C)O ZINC000084869886 488107853 /nfs/dbraw/zinc/10/78/53/488107853.db2.gz MHKSKMJLXIFKQM-VIFPVBQESA-N 1 0 202.298 0.262 10 0 BCAERO CCOC[C@H](O)C[NH2+]CC[C@@H]1CCCO1 ZINC000068951541 488115860 /nfs/dbraw/zinc/11/58/60/488115860.db2.gz BMRAQNCHNJFLSW-MNOVXSKESA-N 1 0 217.309 0.543 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)N[C@H]2CC23CC[NH2+]CC3)O1 ZINC000389872295 488121637 /nfs/dbraw/zinc/12/16/37/488121637.db2.gz AUOAIIFHGJVOGK-MXWKQRLJSA-N 1 0 238.331 0.812 10 0 BCAERO O=C(NCC(F)F)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653089186 487540676 /nfs/dbraw/zinc/54/06/76/487540676.db2.gz ZYLSNZWQQNFLHI-RFZPGFLSSA-N 1 0 246.179 0.766 10 0 BCAERO CCN(C)C(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000382427299 487543170 /nfs/dbraw/zinc/54/31/70/487543170.db2.gz YSIAGYDMNNJFNA-RNFRBKRXSA-N 1 0 224.226 0.863 10 0 BCAERO CC(C)[C@@H]([NH3+])CC(=O)NCc1csc(=O)[nH]1 ZINC000231705345 487471046 /nfs/dbraw/zinc/47/10/46/487471046.db2.gz DFBRDEINEDJUGO-QMMMGPOBSA-N 1 0 243.332 0.426 10 0 BCAERO O=C(CC[NH2+]C1CC1)NC[C@@H]1CCCC[C@@H]1O ZINC000085988211 487471077 /nfs/dbraw/zinc/47/10/77/487471077.db2.gz OSHWBDAGJQUBCM-JQWIXIFHSA-N 1 0 240.347 0.796 10 0 BCAERO CCc1nn(C)cc1CN1CC[C@H]([NH3+])[C@H]1C ZINC000380542120 487478591 /nfs/dbraw/zinc/47/85/91/487478591.db2.gz HJTUWUGMOZLSDR-KOLCDFICSA-N 1 0 222.336 0.904 10 0 BCAERO CC(C)[C@@H](CO)NC(=O)C[C@H]1CCC[NH2+]C1 ZINC000086125708 487484901 /nfs/dbraw/zinc/48/49/01/487484901.db2.gz KNUWBHKDKJKAFT-GHMZBOCLSA-N 1 0 228.336 0.509 10 0 BCAERO CC(C)(CC(N)=O)NC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000227066506 487493916 /nfs/dbraw/zinc/49/39/16/487493916.db2.gz CPNDOTFCMSUXIF-BDAKNGLRSA-N 1 0 241.335 0.132 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)NC(C)(C)CC(N)=O ZINC000227066172 487494127 /nfs/dbraw/zinc/49/41/27/487494127.db2.gz VUSSHFKVJJBIEX-MRVPVSSYSA-N 1 0 229.324 0.130 10 0 BCAERO O=C(Nc1ccccc1)[C@@]1(O)CCC[NH2+]C1 ZINC000220333806 487499161 /nfs/dbraw/zinc/49/91/61/487499161.db2.gz ZHSMKTLHOIRXQV-GFCCVEGCSA-N 1 0 220.272 0.740 10 0 BCAERO C[C@@H](NC(=O)COCC[NH3+])c1cccs1 ZINC000086434376 487504100 /nfs/dbraw/zinc/50/41/00/487504100.db2.gz SRYMRZWLOBWSHM-MRVPVSSYSA-N 1 0 228.317 0.901 10 0 BCAERO CC[C@H](NC(=O)COCC[NH3+])C(C)C ZINC000086434788 487504917 /nfs/dbraw/zinc/50/49/17/487504917.db2.gz HROBBIXNYWQHNH-VIFPVBQESA-N 1 0 202.298 0.513 10 0 BCAERO Nc1cccc(CNC(=O)[C@H]2CCC[NH2+]C2)c1 ZINC000169816010 487508257 /nfs/dbraw/zinc/50/82/57/487508257.db2.gz PESHMHUONOUKLW-NSHDSACASA-N 1 0 233.315 0.885 10 0 BCAERO C[C@H](NC(=O)[C@@]1(C)CCC[NH2+]1)[C@@H]1CCCO1 ZINC000227078599 487509639 /nfs/dbraw/zinc/50/96/39/487509639.db2.gz UXFUBGLVCSIOTJ-JBLDHEPKSA-N 1 0 226.320 0.812 10 0 BCAERO Nc1ccc(NC(=O)[C@@H]2CC[NH2+]C2)cn1 ZINC000237859117 487521553 /nfs/dbraw/zinc/52/15/53/487521553.db2.gz UBMIWIJTHUDPLD-SSDOTTSWSA-N 1 0 206.249 0.212 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)N2CC[C@@H](C[NH3+])C2)O1 ZINC000222400757 487738413 /nfs/dbraw/zinc/73/84/13/487738413.db2.gz NJCOPFWMEIFFHN-KXUCPTDWSA-N 1 0 212.293 0.361 10 0 BCAERO C[C@H](O)C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000235561628 487980819 /nfs/dbraw/zinc/98/08/19/487980819.db2.gz GDPHXPXPTTZBPT-MVWJERBFSA-N 1 0 213.321 0.993 10 0 BCAERO CCC1(NC(=O)[C@H]2CC[NH2+]C2)CCOCC1 ZINC000389431780 488096164 /nfs/dbraw/zinc/09/61/64/488096164.db2.gz UWOCYKWRSHGSME-JTQLQIEISA-N 1 0 226.320 0.671 10 0 BCAERO OC1(C[NH2+][C@H]2CO[C@H](C3CC3)C2)CCOCC1 ZINC000667847307 488137347 /nfs/dbraw/zinc/13/73/47/488137347.db2.gz KLWZLELNLHUBJA-NEPJUHHUSA-N 1 0 241.331 0.685 10 0 BCAERO C[C@H](CO)[N@H+](C)C[C@@H]1CCC[C@H](O)C1 ZINC000379641806 488145247 /nfs/dbraw/zinc/14/52/47/488145247.db2.gz VPFOOSQYPBBUOX-MXWKQRLJSA-N 1 0 201.310 0.850 10 0 BCAERO C[N@@H+]1CCC[C@H]1CN1CCSC[C@H]1CO ZINC000379805358 488150643 /nfs/dbraw/zinc/15/06/43/488150643.db2.gz UTNYHQAHBYUSAF-WDEREUQCSA-N 1 0 230.377 0.490 10 0 BCAERO CC1(C)NC(=O)CC[C@H]1[NH2+]Cc1cn[nH]c1 ZINC000390600900 488169980 /nfs/dbraw/zinc/16/99/80/488169980.db2.gz BFASUIJJHSUSFF-SECBINFHSA-N 1 0 222.292 0.557 10 0 BCAERO C[C@]1(C(=O)N2CCCc3n[nH]cc3C2)CCC[NH2+]1 ZINC000404607705 488172413 /nfs/dbraw/zinc/17/24/13/488172413.db2.gz DLJMRHORJLXQML-CYBMUJFWSA-N 1 0 248.330 0.827 10 0 BCAERO CO[C@H]1C[NH2+][C@@H](C(=O)N[C@@H](C)c2ccccn2)C1 ZINC000160864592 488173695 /nfs/dbraw/zinc/17/36/95/488173695.db2.gz BCMGVJWREWVOLK-HOSYDEDBSA-N 1 0 249.314 0.636 10 0 BCAERO CO[C@@H](C)CNC(=O)C[C@@H]([NH3+])C(C)C ZINC000223717192 488176854 /nfs/dbraw/zinc/17/68/54/488176854.db2.gz AIMSRDYIMMQGOF-DTWKUNHWSA-N 1 0 202.298 0.511 10 0 BCAERO CCOc1cc(N[C@H](C)C[NH3+])nc(C)n1 ZINC000085484112 488177705 /nfs/dbraw/zinc/17/77/05/488177705.db2.gz YSIPCBXDWDFODX-SSDOTTSWSA-N 1 0 210.281 0.943 10 0 BCAERO O=C(CC[NH2+]C1CC1)N[C@@H]1CCC[C@@H](O)C1 ZINC000037478444 488185011 /nfs/dbraw/zinc/18/50/11/488185011.db2.gz WNPAOYUWHPUVBT-GHMZBOCLSA-N 1 0 226.320 0.548 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)N[C@H]1CCSC1 ZINC000231353291 488200923 /nfs/dbraw/zinc/20/09/23/488200923.db2.gz LBUJBWMSYLPKFD-DTWKUNHWSA-N 1 0 216.350 0.982 10 0 BCAERO C[C@@H](CO)C[N@@H+]1CCN2CCCC[C@@H]2C1 ZINC000121439146 490089980 /nfs/dbraw/zinc/08/99/80/490089980.db2.gz TVEFVPPJTXFJQI-VXGBXAGGSA-N 1 0 212.337 0.785 10 0 BCAERO CCn1ncnc1C[NH2+]C[C@H](O)C(C)(C)C ZINC000324503393 490092619 /nfs/dbraw/zinc/09/26/19/490092619.db2.gz OLRUGYGKHKFLGW-VIFPVBQESA-N 1 0 226.324 0.795 10 0 BCAERO Cc1nccc(NCCOCCC[NH3+])n1 ZINC000630537239 490102589 /nfs/dbraw/zinc/10/25/89/490102589.db2.gz LKSKDGZLMNZAEJ-UHFFFAOYSA-N 1 0 210.281 0.562 10 0 BCAERO Cc1ccc(CNC(=O)C2([NH3+])CCOCC2)o1 ZINC000127919046 490145804 /nfs/dbraw/zinc/14/58/04/490145804.db2.gz KGZPWELNKKNPGA-UHFFFAOYSA-N 1 0 238.287 0.712 10 0 BCAERO Cc1nccc(NC[C@H]2COCC[NH2+]2)n1 ZINC000235972578 490185213 /nfs/dbraw/zinc/18/52/13/490185213.db2.gz QMXOEKWWJMPKQW-VIFPVBQESA-N 1 0 208.265 0.185 10 0 BCAERO COCC1(CC(=O)N2CC[C@H]([NH3+])[C@H]2C)CC1 ZINC000401241103 490188414 /nfs/dbraw/zinc/18/84/14/490188414.db2.gz IKOJFZHLENPVQO-ZJUUUORDSA-N 1 0 226.320 0.751 10 0 BCAERO CC(=O)N1CC[NH+](C[C@@H]2CCC[C@H](O)C2)CC1 ZINC000383511241 490199049 /nfs/dbraw/zinc/19/90/49/490199049.db2.gz LIPOWNOWAICOLI-OLZOCXBDSA-N 1 0 240.347 0.702 10 0 BCAERO COc1cccnc1NC[C@H]1C[NH2+]CCCO1 ZINC000389894341 490273703 /nfs/dbraw/zinc/27/37/03/490273703.db2.gz LKYHYBJGVJRHTR-SNVBAGLBSA-N 1 0 237.303 0.881 10 0 BCAERO C[C@@H](O)CCNC(=O)c1cccc2c1CC[NH2+]C2 ZINC000124320393 490349607 /nfs/dbraw/zinc/34/96/07/490349607.db2.gz FQQFNBHZWXTIPV-SNVBAGLBSA-N 1 0 248.326 0.833 10 0 BCAERO CC[C@@H]([NH3+])C(=O)N[C@@H]1CCC[C@@H](O)C1 ZINC000084200063 490380094 /nfs/dbraw/zinc/38/00/94/490380094.db2.gz YLQSBHPAQJCUNK-IWSPIJDZSA-N 1 0 200.282 0.143 10 0 BCAERO Cc1ccc(C[N@@H+]2CCC[C@](O)(C(N)=O)C2)cn1 ZINC000405598670 490465100 /nfs/dbraw/zinc/46/51/00/490465100.db2.gz CUOJMJMERTUBCL-CYBMUJFWSA-N 1 0 249.314 0.202 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)NCCOCC1CC1 ZINC000227424932 491080459 /nfs/dbraw/zinc/08/04/59/491080459.db2.gz OOWCXJMLNJQAPR-NWDGAFQWSA-N 1 0 240.347 0.904 10 0 BCAERO Cc1ccccc1C[NH2+][C@@H]1CCNC1=O ZINC000309069254 491052193 /nfs/dbraw/zinc/05/21/93/491052193.db2.gz ASZOTMHRVWRORF-LLVKDONJSA-N 1 0 204.273 0.973 10 0 BCAERO COCC[C@H](C)[N@@H+]1CCO[C@@H](CO)C1 ZINC000228269891 491092958 /nfs/dbraw/zinc/09/29/58/491092958.db2.gz QHVNRORADOFNTM-VHSXEESVSA-N 1 0 203.282 0.105 10 0 BCAERO COCC(C)(C)NC(=O)C[C@H]([NH3+])C(C)C ZINC000125423799 491103527 /nfs/dbraw/zinc/10/35/27/491103527.db2.gz QKDUPOBIMFODME-VIFPVBQESA-N 1 0 216.325 0.901 10 0 BCAERO Cn1nncc1C[NH2+][C@@H]1CCC[C@@H](O)C1 ZINC000129725867 491115971 /nfs/dbraw/zinc/11/59/71/491115971.db2.gz HRJLIEITWMNBAB-PSASIEDQSA-N 1 0 210.281 0.208 10 0 BCAERO CC(C)[C@@H](CO)NC(=O)[C@]1(C)CCCC[NH2+]1 ZINC000127538586 491132713 /nfs/dbraw/zinc/13/27/13/491132713.db2.gz ZFEXOOQFYSOIBF-PWSUYJOCSA-N 1 0 228.336 0.652 10 0 BCAERO C[C@H](CC(N)=O)[NH2+][C@H]1CCC[C@@H](O)C1 ZINC000308636478 491137494 /nfs/dbraw/zinc/13/74/94/491137494.db2.gz CLSMKNOFENMGNK-HRDYMLBCSA-N 1 0 200.282 0.143 10 0 BCAERO C[C@H]1C[C@H]1C[NH2+]C1CCN(CCO)CC1 ZINC000309131197 491145401 /nfs/dbraw/zinc/14/54/01/491145401.db2.gz RAKKRBWORDSUIM-QWRGUYRKSA-N 1 0 212.337 0.689 10 0 BCAERO CCN1C[C@H](C)[C@H]([NH2+][C@@H]2CN(C)C[C@H]2C)C1 ZINC000309982431 491159340 /nfs/dbraw/zinc/15/93/40/491159340.db2.gz WVJGGFLEMJKWRK-YVECIDJPSA-N 1 0 225.380 0.866 10 0 BCAERO C1CSC[C@]2(C1)[NH2+]C[C@@]1(COCCN1)CO2 ZINC000757138649 582518696 /nfs/dbraw/zinc/51/86/96/582518696.db2.gz DCPWIUNLOKGWTN-GHMZBOCLSA-N 1 0 244.360 0.188 10 0 BCAERO CN1CCOC[C@@]12C[NH2+]C1(CC(C)(C)C1)OC2 ZINC000757139822 582520496 /nfs/dbraw/zinc/52/04/96/582520496.db2.gz HNRBPFRUJRXXLZ-GFCCVEGCSA-N 1 0 240.347 0.823 10 0 BCAERO COc1ncccc1CN1CC[C@@H]1C[NH3+] ZINC000757145587 582528786 /nfs/dbraw/zinc/52/87/86/582528786.db2.gz NYPAEZQQEMPXJY-SNVBAGLBSA-N 1 0 207.277 0.623 10 0 BCAERO COC[C@H]1CCO[C@@]2(CCSC2)[NH2+]1 ZINC000757148284 582532858 /nfs/dbraw/zinc/53/28/58/582532858.db2.gz MYZWEHLLLFBAQS-RKDXNWHRSA-N 1 0 203.307 0.845 10 0 BCAERO CC1(C)CNC2(CC[NH2+]CC2)O[C@@]12CCOC2 ZINC000757150406 582534905 /nfs/dbraw/zinc/53/49/05/582534905.db2.gz XZFYQYCXSRURDA-GFCCVEGCSA-N 1 0 240.347 0.871 10 0 BCAERO C[C@@H]1CN2C(=[NH+]CC[C@@H]2C(F)(F)F)N1 ZINC000235392175 582575937 /nfs/dbraw/zinc/57/59/37/582575937.db2.gz JKGDSHCGVYTPSY-PHDIDXHHSA-N 1 0 207.199 0.971 10 0 BCAERO CCN1CCC[C@@H]([NH2+][C@@H](C)CS(C)(=O)=O)C1 ZINC000081900789 535541805 /nfs/dbraw/zinc/54/18/05/535541805.db2.gz UBCGWPQFNJOSIE-WDEREUQCSA-N 1 0 248.392 0.493 10 0 BCAERO CC[C@@H](O)C[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000173751873 535812645 /nfs/dbraw/zinc/81/26/45/535812645.db2.gz ZLWMJIPEIPDQJZ-VXGBXAGGSA-N 1 0 238.335 0.761 10 0 BCAERO CC[C@H](C(=O)OC)N1CCO[C@H](C[NH+](C)C)C1 ZINC000171636965 536103985 /nfs/dbraw/zinc/10/39/85/536103985.db2.gz RHTSHUGEYNBQGD-GHMZBOCLSA-N 1 0 244.335 0.200 10 0 BCAERO COC(=O)c1cc(OC)cc(CC[NH3+])n1 ZINC000095767876 518023120 /nfs/dbraw/zinc/02/31/20/518023120.db2.gz IIAZMFORYMQMKS-UHFFFAOYSA-N 1 0 210.233 0.378 10 0 BCAERO [NH3+]Cc1cc2c(Cl)ncnc2[nH]c1=O ZINC000521399414 518197507 /nfs/dbraw/zinc/19/75/07/518197507.db2.gz FPUKZTQMHVPNQY-UHFFFAOYSA-N 1 0 210.624 0.843 10 0 BCAERO CC(=O)Cc1nsc(NCC[NH+](C)C)n1 ZINC000229009373 519437920 /nfs/dbraw/zinc/43/79/20/519437920.db2.gz YOAICXMJQYCZAD-UHFFFAOYSA-N 1 0 228.321 0.643 10 0 BCAERO CC(=O)Oc1ccccc1C(=O)N1CC[NH2+]CC1 ZINC000164852317 519759769 /nfs/dbraw/zinc/75/97/69/519759769.db2.gz PNDJICKWQUVEQG-UHFFFAOYSA-N 1 0 248.282 0.657 10 0 BCAERO C[NH2+][C@@H](C)CNc1ccnc(N(C)C)n1 ZINC000261538711 536344836 /nfs/dbraw/zinc/34/48/36/536344836.db2.gz ZAJUEAMAMNVDTE-QMMMGPOBSA-N 1 0 209.297 0.562 10 0 BCAERO C[NH2+][C@@H](C)CNc1ncnc2nc[nH]c21 ZINC000261529820 536345198 /nfs/dbraw/zinc/34/51/98/536345198.db2.gz BMACNNLYRPLUDY-LURJTMIESA-N 1 0 206.253 0.373 10 0 BCAERO CC(C)(C)C[C@@H](O)CN[C@@H]1CC[NH2+]C1 ZINC000226071339 534627637 /nfs/dbraw/zinc/62/76/37/534627637.db2.gz DQEUWUHMLBXVJI-NXEZZACHSA-N 1 0 200.326 0.735 10 0 BCAERO COCc1cc(=O)[nH]c(N[C@@H]2CCC[NH2+]C2)n1 ZINC000057329846 522905556 /nfs/dbraw/zinc/90/55/56/522905556.db2.gz XVFSVJYZIVBAOO-MRVPVSSYSA-N 1 0 238.291 0.080 10 0 BCAERO CCn1cc(C(=O)N2CC[C@H]([NH3+])C2)ccc1=O ZINC000229016707 523333234 /nfs/dbraw/zinc/33/32/34/523333234.db2.gz CWYFTKAUIQGGPA-JTQLQIEISA-N 1 0 235.287 0.041 10 0 BCAERO CC[C@](O)(C[NH3+])[C@@H](C)NC(=O)OC(C)(C)C ZINC000072207854 523531291 /nfs/dbraw/zinc/53/12/91/523531291.db2.gz RMWMJUQWSNGPGZ-KCJUWKMLSA-N 1 0 232.324 0.999 10 0 BCAERO CN1CCC(C(N)=O)([NH+]2CCCCCC2)CC1 ZINC000095532487 523750838 /nfs/dbraw/zinc/75/08/38/523750838.db2.gz GUSAHIIIJMKHNN-UHFFFAOYSA-N 1 0 239.363 0.812 10 0 BCAERO COCCNc1cc(N2CC[C@@H]([NH3+])C2)ncn1 ZINC000057330555 523962886 /nfs/dbraw/zinc/96/28/86/523962886.db2.gz XZMPGUWEMYXVQX-SECBINFHSA-N 1 0 237.307 0.072 10 0 BCAERO COCCNc1nc2c(c(NN)[nH+]1)CCC2 ZINC000057331660 523966807 /nfs/dbraw/zinc/96/68/07/523966807.db2.gz YPKIDGZYPLZVQJ-UHFFFAOYSA-N 1 0 223.280 0.309 10 0 BCAERO C[NH2+][C@H](C)CNC(=O)CCc1cnn(C)c1 ZINC000261781261 536391669 /nfs/dbraw/zinc/39/16/69/536391669.db2.gz QBJXSWPCNOOWJK-SECBINFHSA-N 1 0 224.308 0.077 10 0 BCAERO Cc1nccn1C[C@@H]([NH2+]C(C)C)C(N)=O ZINC000045432864 582878768 /nfs/dbraw/zinc/87/87/68/582878768.db2.gz KKRAXUJBTKBTFJ-SECBINFHSA-N 1 0 210.281 0.043 10 0 BCAERO C[NH2+][C@@](C)(CCCn1cccn1)C(N)=O ZINC000045434661 582878790 /nfs/dbraw/zinc/87/87/90/582878790.db2.gz BVTNIVNHZHVZRT-JTQLQIEISA-N 1 0 210.281 0.127 10 0 BCAERO Cc1cc(C)n(CC[C@](C)([NH3+])C(N)=O)n1 ZINC000045433831 582878919 /nfs/dbraw/zinc/87/89/19/582878919.db2.gz UHKNVIZRCVJGFN-JTQLQIEISA-N 1 0 210.281 0.093 10 0 BCAERO CCOC(=O)[C@](C)([NH3+])CCn1ccnc1 ZINC000045432303 582879067 /nfs/dbraw/zinc/87/90/67/582879067.db2.gz FRHMHZWXHKORGT-SNVBAGLBSA-N 1 0 211.265 0.554 10 0 BCAERO CCC[NH2+][C@@H](Cn1ccnc1C)C(N)=O ZINC000045432845 582879138 /nfs/dbraw/zinc/87/91/38/582879138.db2.gz PSYKRODWGHMPOW-VIFPVBQESA-N 1 0 210.281 0.045 10 0 BCAERO C[C@]([NH3+])(CCCn1cc(Cl)cn1)C(N)=O ZINC000045436622 582879336 /nfs/dbraw/zinc/87/93/36/582879336.db2.gz KLBLKADPNFUIPW-VIFPVBQESA-N 1 0 230.699 0.519 10 0 BCAERO CN1CCN(c2ncc3c(n2)CC[C@H]([NH3+])C3)CC1 ZINC000020286123 536426822 /nfs/dbraw/zinc/42/68/22/536426822.db2.gz QYAUUAPOMDVJGU-NSHDSACASA-N 1 0 247.346 0.044 10 0 BCAERO CN(C[C@@H]1CCCOC1)C(=O)[C@H]1CCC[C@@H]1[NH3+] ZINC000085375488 536428043 /nfs/dbraw/zinc/42/80/43/536428043.db2.gz RQVTWFGDGDOENJ-SRVKXCTJSA-N 1 0 240.347 0.999 10 0 BCAERO C[NH2+]C[C@@H]1CCCN1CCC(=O)OC ZINC000169281871 536458204 /nfs/dbraw/zinc/45/82/04/536458204.db2.gz VYWUSWLIXUAKJW-VIFPVBQESA-N 1 0 200.282 0.233 10 0 BCAERO C[NH2+]C[C@H]1CCCN(c2cc(OC)ncn2)C1 ZINC000090783591 536465406 /nfs/dbraw/zinc/46/54/06/536465406.db2.gz RPSHZORCMOUOJP-SNVBAGLBSA-N 1 0 236.319 0.921 10 0 BCAERO COC(=O)CN1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000226658170 536473157 /nfs/dbraw/zinc/47/31/57/536473157.db2.gz NDIZXCCHANHPAX-UWVGGRQHSA-N 1 0 212.293 0.328 10 0 BCAERO COC(=O)CN1c2ccccc2C[C@@H]([NH3+])C1=O ZINC000035269799 536473488 /nfs/dbraw/zinc/47/34/88/536473488.db2.gz YSBKTIROWZTXDI-SECBINFHSA-N 1 0 234.255 0.076 10 0 BCAERO COCCCN(C)C(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000085012947 536495416 /nfs/dbraw/zinc/49/54/16/536495416.db2.gz PFKUMEFGRZXXPJ-UWVGGRQHSA-N 1 0 214.309 0.609 10 0 BCAERO CC(C)(O)[C@@H]1CCC[N@@H+]1C[C@H]1CNC(=O)O1 ZINC000496479197 527358117 /nfs/dbraw/zinc/35/81/17/527358117.db2.gz HAUNULJMQRGMFU-BDAKNGLRSA-N 1 0 228.292 0.330 10 0 BCAERO COC[C@@H](C)N1CCO[C@H](C[NH+](C)C)C1 ZINC000173701767 536524376 /nfs/dbraw/zinc/52/43/76/536524376.db2.gz SJWAAYLRSPAPHN-GHMZBOCLSA-N 1 0 216.325 0.284 10 0 BCAERO CC1(CO)CC[NH+](C[C@@H]2CNC(=O)O2)CC1 ZINC000401762793 527999571 /nfs/dbraw/zinc/99/95/71/527999571.db2.gz WGCSCRAJNNOFDL-VIFPVBQESA-N 1 0 228.292 0.189 10 0 BCAERO CC[C@H](C)NC(=O)C[N@@H+]1C[C@H](C)C[C@H](O)C1 ZINC000401738844 529159440 /nfs/dbraw/zinc/15/94/40/529159440.db2.gz IDPARPAANAOWPS-VWYCJHECSA-N 1 0 228.336 0.604 10 0 BCAERO CC(C)N(C(=O)CN1C[C@H](C)[C@H]([NH3+])C1)C(C)C ZINC000261543152 534938823 /nfs/dbraw/zinc/93/88/23/534938823.db2.gz RJGFMMLONILRMW-NWDGAFQWSA-N 1 0 241.379 0.911 10 0 BCAERO CC(C)N(C)C(=O)CN1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261562871 534968142 /nfs/dbraw/zinc/96/81/42/534968142.db2.gz WPTVSPQYWYKHHF-VXGBXAGGSA-N 1 0 239.363 0.537 10 0 BCAERO CC(C)(C)SCCNC(=O)C1C[NH2+]C1 ZINC000261528275 535028881 /nfs/dbraw/zinc/02/88/81/535028881.db2.gz LODJHOZIGMMJBS-UHFFFAOYSA-N 1 0 216.350 0.854 10 0 BCAERO CC1(C)[C@@H]2CN(C(=O)[C@H]3CC[NH2+]C3)C[C@@H]21 ZINC000261547737 535040112 /nfs/dbraw/zinc/04/01/12/535040112.db2.gz MRDKRCOZWASNEW-LPEHRKFASA-N 1 0 208.305 0.710 10 0 BCAERO CCCCCNC(=O)[C@H](C)N1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000232959709 535070568 /nfs/dbraw/zinc/07/05/68/535070568.db2.gz DCOWXLNQQIBBRV-WOPDTQHZSA-N 1 0 241.379 0.960 10 0 BCAERO CC1(CNC(=O)C2([NH3+])CCCCC2)COC1 ZINC000087197883 535132158 /nfs/dbraw/zinc/13/21/58/535132158.db2.gz PLTVWTAGNQYARD-UHFFFAOYSA-N 1 0 226.320 0.801 10 0 BCAERO CC(C)[C@@H](CO)[NH2+]C[C@@H](O)COC(C)(C)C ZINC000086124663 535203434 /nfs/dbraw/zinc/20/34/34/535203434.db2.gz MKXBNBRYFZIPMH-GHMZBOCLSA-N 1 0 233.352 0.769 10 0 BCAERO CC(C)[C@@H]1OCC[C@@H]1CNC(=O)C[NH3+] ZINC000261536423 535294720 /nfs/dbraw/zinc/29/47/20/535294720.db2.gz RQYGHHCIBKQBML-SCZZXKLOSA-N 1 0 200.282 0.122 10 0 BCAERO CC1(C)CCN(C(=O)[C@@H]([NH3+])C2CCOCC2)C1 ZINC000261836093 535313592 /nfs/dbraw/zinc/31/35/92/535313592.db2.gz QJHSJXGJMFYXCY-NSHDSACASA-N 1 0 240.347 0.999 10 0 BCAERO CC1(C)CN(C(=O)c2cnsn2)CC[C@H]1[NH3+] ZINC000261595475 535351907 /nfs/dbraw/zinc/35/19/07/535351907.db2.gz YEYDXWLYGOGBMX-MRVPVSSYSA-N 1 0 240.332 0.738 10 0 BCAERO CC(C)CC(C)(C)C(=O)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262140493 535382380 /nfs/dbraw/zinc/38/23/80/535382380.db2.gz HDZQBKHZZFZPQG-MNOVXSKESA-N 1 0 242.363 0.755 10 0 BCAERO CCN(CC)C(=O)CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171643299 535433446 /nfs/dbraw/zinc/43/34/46/535433446.db2.gz HFIBDTSHYVKBDL-GFCCVEGCSA-N 1 0 239.363 0.635 10 0 BCAERO CC[NH2+]Cc1ccc(N2CCOC[C@@H]2C)nn1 ZINC000051444144 535478844 /nfs/dbraw/zinc/47/88/44/535478844.db2.gz WUCATBUUMZUMSV-JTQLQIEISA-N 1 0 236.319 0.811 10 0 BCAERO CC[NH2+]Cc1cc(C)nc(N2CCN(C)CC2)n1 ZINC000054831257 535478870 /nfs/dbraw/zinc/47/88/70/535478870.db2.gz FNEUUWCCQISQFL-UHFFFAOYSA-N 1 0 249.362 0.646 10 0 BCAERO CCOCCCNC(=O)[C@@H]([NH3+])C1CCOCC1 ZINC000261782614 535540457 /nfs/dbraw/zinc/54/04/57/535540457.db2.gz NAAHGMGGFSTEJD-NSHDSACASA-N 1 0 244.335 0.283 10 0 BCAERO CCOc1cncc(N2CCO[C@H](C[NH3+])C2)n1 ZINC000071175844 535566225 /nfs/dbraw/zinc/56/62/25/535566225.db2.gz IWWKWLDDRJCXLR-SECBINFHSA-N 1 0 238.291 0.039 10 0 BCAERO CCCn1ccnc(N2CC[NH2+]CC2)c1=O ZINC000061752697 535620354 /nfs/dbraw/zinc/62/03/54/535620354.db2.gz CUMRWCRAVACQPP-UHFFFAOYSA-N 1 0 222.292 0.063 10 0 BCAERO CCOCCNC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000085010743 535622189 /nfs/dbraw/zinc/62/21/89/535622189.db2.gz GLGQPKOQTKRHBK-IUCAKERBSA-N 1 0 200.282 0.267 10 0 BCAERO CCS(=O)(=O)CCN1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261588233 535629091 /nfs/dbraw/zinc/62/90/91/535629091.db2.gz SEVVUFCNTLAJFR-GARJFASQSA-N 1 0 246.376 0.090 10 0 BCAERO CCOC(=O)CC[N@@H+]1CC[C@@H](CCO)C1 ZINC000161626545 535649628 /nfs/dbraw/zinc/64/96/28/535649628.db2.gz JEFUNYFHJQXXHZ-JTQLQIEISA-N 1 0 215.293 0.644 10 0 BCAERO CC[C@@H](NC(=O)[C@@H]([NH3+])COC)C1CCOCC1 ZINC000262244031 535797855 /nfs/dbraw/zinc/79/78/55/535797855.db2.gz HZSBJBYJZGPOBZ-WDEREUQCSA-N 1 0 244.335 0.282 10 0 BCAERO CC[C@H](C)[C@H]([NH3+])C(=O)N1C[C@H](O)[C@@H](CC)C1 ZINC000262575591 535951291 /nfs/dbraw/zinc/95/12/91/535951291.db2.gz OGPCTANGOBONHJ-NAKRPEOUSA-N 1 0 228.336 0.589 10 0 BCAERO CN(C)C(=O)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000261534263 536106874 /nfs/dbraw/zinc/10/68/74/536106874.db2.gz PCTHZPKNQMKCAG-VIFPVBQESA-N 1 0 222.292 0.509 10 0 BCAERO CCc1nc2c(c(N3CC[NH2+]CC3)n1)CCC2 ZINC000057328696 536154130 /nfs/dbraw/zinc/15/41/30/536154130.db2.gz IWFPZPBOQZSETD-UHFFFAOYSA-N 1 0 232.331 0.937 10 0 BCAERO CNC(=O)N1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000335933959 536318271 /nfs/dbraw/zinc/31/82/71/536318271.db2.gz OOPKVLDOKBBUDT-QWRGUYRKSA-N 1 0 241.335 0.247 10 0 BCAERO COC(=O)C[C@H](C)NC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261620833 536338324 /nfs/dbraw/zinc/33/83/24/536338324.db2.gz AUSJBKXKIGTQIG-IVZWLZJFSA-N 1 0 242.319 0.429 10 0 BCAERO C[NH2+][C@@H](C)CNC(=O)C[C@@H]1CCOC1 ZINC000261528547 536339433 /nfs/dbraw/zinc/33/94/33/536339433.db2.gz REEJFQSCCLOJIH-IUCAKERBSA-N 1 0 200.282 0.137 10 0 BCAERO C[NH2+][C@@H]1CCCN(c2cc(C)ncn2)C1 ZINC000053205015 536365528 /nfs/dbraw/zinc/36/55/28/536365528.db2.gz AYDDBSRFALKRMC-SNVBAGLBSA-N 1 0 206.293 0.973 10 0 BCAERO C[NH2+][C@H](C)CNC(=O)CCOC[C@@H]1CCCO1 ZINC000261844913 536391563 /nfs/dbraw/zinc/39/15/63/536391563.db2.gz WUHAVXAHXFOWRT-MNOVXSKESA-N 1 0 244.335 0.296 10 0 BCAERO C[NH2+][C@H](C)CNC(=O)C[C@@H]1CCOC1 ZINC000261528545 536392557 /nfs/dbraw/zinc/39/25/57/536392557.db2.gz REEJFQSCCLOJIH-BDAKNGLRSA-N 1 0 200.282 0.137 10 0 BCAERO C[NH2+][C@H](C)CNC(=O)C[C@H]1CCOC1 ZINC000261528548 536392808 /nfs/dbraw/zinc/39/28/08/536392808.db2.gz REEJFQSCCLOJIH-RKDXNWHRSA-N 1 0 200.282 0.137 10 0 BCAERO C[NH2+][C@H](C)CNC(=O)[C@@H](O)c1ccccc1 ZINC000261560555 536398692 /nfs/dbraw/zinc/39/86/92/536398692.db2.gz AATFNCBELJNNHL-KOLCDFICSA-N 1 0 222.288 0.444 10 0 BCAERO C[NH2+][C@H](C)CNC(=O)[C@@H](C)n1nc(C)cc1C ZINC000261683124 536398787 /nfs/dbraw/zinc/39/87/87/536398787.db2.gz HVDGDLDAHUDVOV-MWLCHTKSSA-N 1 0 238.335 0.785 10 0 BCAERO C[NH2+][C@H](C)CNC(=O)c1ccc(C(N)=O)s1 ZINC000261643327 536400436 /nfs/dbraw/zinc/40/04/36/536400436.db2.gz DLBABVNHBYQTEI-ZCFIWIBFSA-N 1 0 241.316 0.185 10 0 BCAERO C[NH2+][C@H]1CCCN(Cc2cnn(C)c2C)C1 ZINC000086552427 536413395 /nfs/dbraw/zinc/41/33/95/536413395.db2.gz WSOABQAGKSLKOT-LBPRGKRZSA-N 1 0 222.336 0.912 10 0 BCAERO C[NH2+][C@H]1CCCN([C@@H]2CCN(C3CC3)C2=O)C1 ZINC000261760306 536414364 /nfs/dbraw/zinc/41/43/64/536414364.db2.gz MXDKVBJVUCKDRR-CMPLNLGQSA-N 1 0 237.347 0.434 10 0 BCAERO CN(C[C@@H](O)C(F)(F)F)C[C@@H]1CC[N@H+](C)C1 ZINC000225433753 536416812 /nfs/dbraw/zinc/41/68/12/536416812.db2.gz LEQGRHSZRUNCSQ-RKDXNWHRSA-N 1 0 240.269 0.793 10 0 BCAERO CNC(=O)c1ccc(CN2C[C@@H](C)[C@@H]([NH3+])C2)cc1 ZINC000261958373 536424053 /nfs/dbraw/zinc/42/40/53/536424053.db2.gz GWPRCAQZEDKQEE-MFKMUULPSA-N 1 0 247.342 0.825 10 0 BCAERO COC(=O)CCCCCCNC(=O)C1C[NH2+]C1 ZINC000263246366 536446447 /nfs/dbraw/zinc/44/64/47/536446447.db2.gz DCZANFRJOIDFBM-UHFFFAOYSA-N 1 0 242.319 0.446 10 0 BCAERO C[NH2+]C[C@H]1CCCN(c2cccnn2)C1 ZINC000052831548 536466074 /nfs/dbraw/zinc/46/60/74/536466074.db2.gz JWTFCLDOVBTOGM-SNVBAGLBSA-N 1 0 206.293 0.912 10 0 BCAERO CO[C@H](C[NH3+])C(=O)N1[C@H](C)CCC[C@H]1C ZINC000261531164 536557737 /nfs/dbraw/zinc/55/77/37/536557737.db2.gz FLJSFVZAYHZQSF-OPRDCNLKSA-N 1 0 214.309 0.750 10 0 BCAERO CO[C@H](C[NH3+])CC(=O)N[C@H](C)C(C)C ZINC000232111839 536569091 /nfs/dbraw/zinc/56/90/91/536569091.db2.gz NWVYEGIWZAREMO-BDAKNGLRSA-N 1 0 202.298 0.511 10 0 BCAERO COC(=O)[C@H](C1CC1)[N@H+](C)CC1CC(O)C1 ZINC000084452253 536644196 /nfs/dbraw/zinc/64/41/96/536644196.db2.gz VUWYZFOSHLOTAE-RFBVYIQQSA-N 1 0 227.304 0.641 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N1CCCC[C@@H]1C(C)C ZINC000262568414 536654861 /nfs/dbraw/zinc/65/48/61/536654861.db2.gz SBEGTYLOYTYNHB-GHMZBOCLSA-N 1 0 228.336 0.997 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N[C@@H](C)Cc1cccs1 ZINC000088003079 536665220 /nfs/dbraw/zinc/66/52/20/536665220.db2.gz MVDZHLPBTXNFJI-WCBMZHEXSA-N 1 0 242.344 0.769 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N[C@@H](C)Cc1ccncc1 ZINC000262348988 536665592 /nfs/dbraw/zinc/66/55/92/536665592.db2.gz UFKQWFCAICJSRT-GXSJLCMTSA-N 1 0 237.303 0.103 10 0 BCAERO COC[C@@H]([NH3+])C(=O)Nc1cnn(CC(C)C)c1 ZINC000262248604 536673226 /nfs/dbraw/zinc/67/32/26/536673226.db2.gz IJIPVZLVPSTFOY-SNVBAGLBSA-N 1 0 240.307 0.451 10 0 BCAERO COc1cc(C)nc(N2CCC([NH3+])CC2)n1 ZINC000058825910 536698666 /nfs/dbraw/zinc/69/86/66/536698666.db2.gz UMEVZOJYXSIDDN-UHFFFAOYSA-N 1 0 222.292 0.721 10 0 BCAERO COc1cc(C)nc(N2C[C@H](C[NH3+])C[C@@H]2C)n1 ZINC000164227235 536702103 /nfs/dbraw/zinc/70/21/03/536702103.db2.gz XQRJXAZEYIXMLA-UWVGGRQHSA-N 1 0 236.319 0.967 10 0 BCAERO COc1cc(C)nc(NC[C@H]2CCC[NH2+]2)n1 ZINC000166458877 536704792 /nfs/dbraw/zinc/70/47/92/536704792.db2.gz XJSZHENNINMVIG-SECBINFHSA-N 1 0 222.292 0.958 10 0 BCAERO COCc1cc(N2CCC([NH3+])CC2)ncn1 ZINC000045950932 536723591 /nfs/dbraw/zinc/72/35/91/536723591.db2.gz DYMXQCOEZIKKMD-UHFFFAOYSA-N 1 0 222.292 0.551 10 0 BCAERO COCCN(C)C(=O)[C@H]1CCC[NH2+][C@@H]1C ZINC000087122598 536770615 /nfs/dbraw/zinc/77/06/15/536770615.db2.gz RMIZZOCBKLQMNJ-ZJUUUORDSA-N 1 0 214.309 0.479 10 0 BCAERO COC[C@@]1(C(=O)N[C@@H](C)C2CC2)CC[NH2+]C1 ZINC000261595260 536816291 /nfs/dbraw/zinc/81/62/91/536816291.db2.gz YABXQVIXLFZWMI-JOYOIKCWSA-N 1 0 226.320 0.527 10 0 BCAERO COC[C@H](C)C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000170893869 536826761 /nfs/dbraw/zinc/82/67/61/536826761.db2.gz SSLFPBDYJZKGBB-UWVGGRQHSA-N 1 0 214.309 0.479 10 0 BCAERO COC[C@H](C)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000178742406 536828557 /nfs/dbraw/zinc/82/85/57/536828557.db2.gz RJWYNXHDTMVURS-DTWKUNHWSA-N 1 0 200.282 0.137 10 0 BCAERO CO[C@@H](C)C(=O)N(C)C[C@H]1CC[N@H+](C)C1 ZINC000168685331 536857170 /nfs/dbraw/zinc/85/71/70/536857170.db2.gz MHHYIFUMLJUBDO-UWVGGRQHSA-N 1 0 214.309 0.431 10 0 BCAERO C[NH2+][C@H](CCn1ncc(Cl)c1C)C(N)=O ZINC000070704444 537881615 /nfs/dbraw/zinc/88/16/15/537881615.db2.gz YWSQTDDBWGSUQE-MRVPVSSYSA-N 1 0 230.699 0.308 10 0 BCAERO C[C@@H]1CC[C@]2(CO1)[NH2+]CCc1nc[nH]c12 ZINC000401687581 537885960 /nfs/dbraw/zinc/88/59/60/537885960.db2.gz YJIHRRPXFBZMNU-LDYMZIIASA-N 1 0 207.277 0.950 10 0 BCAERO CC(C)(C)[C@@H](C[NH3+])n1cc(S(C)(=O)=O)cn1 ZINC000725252883 538035181 /nfs/dbraw/zinc/03/51/81/538035181.db2.gz PDXWOCNCZAWPND-SECBINFHSA-N 1 0 245.348 0.833 10 0 BCAERO C[C@@H]([NH3+])Cc1nc(-c2ccnn2C)cc(=O)[nH]1 ZINC000725257631 538065373 /nfs/dbraw/zinc/06/53/73/538065373.db2.gz UDVXGBAJYPVIBN-SSDOTTSWSA-N 1 0 233.275 0.472 10 0 BCAERO CCC[NH2+]Cc1nnn(C)c1-c1ccnn1C ZINC000725257601 538067601 /nfs/dbraw/zinc/06/76/01/538067601.db2.gz SRPOTLDRHNZTDN-UHFFFAOYSA-N 1 0 234.307 0.715 10 0 BCAERO CC[S@@](N)(=O)=Nc1ccnn1C1C[NH2+]C1 ZINC000725257942 538069807 /nfs/dbraw/zinc/06/98/07/538069807.db2.gz AIRRWCCXOWQNKI-HNNXBMFYSA-N 1 0 229.309 0.021 10 0 BCAERO COc1cc(Cn2cc[nH+]c2N)sn1 ZINC000307344070 566278470 /nfs/dbraw/zinc/27/84/70/566278470.db2.gz MKXHWMPRRSWEHB-UHFFFAOYSA-N 1 0 210.262 0.979 10 0 BCAERO CN(C)[S@@](C)(=O)=NC[C@@H]1CCC[NH2+]C1 ZINC000725259442 566305950 /nfs/dbraw/zinc/30/59/50/566305950.db2.gz XWBXPBYRUCMEKD-OTYXRUKQSA-N 1 0 219.354 0.560 10 0 BCAERO CC(C)S(=O)(=O)N[C@H]1C[NH2+]CC1(C)C ZINC000669379276 566386511 /nfs/dbraw/zinc/38/65/11/566386511.db2.gz ZPNRSVBOABWNAI-QMMMGPOBSA-N 1 0 220.338 0.312 10 0 BCAERO CN(C(=O)C(C)(C)C)C1(C[NH3+])CCOCC1 ZINC000675053797 566415604 /nfs/dbraw/zinc/41/56/04/566415604.db2.gz LSZXNFYBEOSVRB-UHFFFAOYSA-N 1 0 228.336 0.999 10 0 BCAERO CC(C)(C)NC(=O)N1CC2(C1)CC[NH2+]C2 ZINC000675052886 566412260 /nfs/dbraw/zinc/41/22/60/566412260.db2.gz BRDVLDRGSCALCV-UHFFFAOYSA-N 1 0 211.309 0.790 10 0 BCAERO CCC(C)(C)[NH2+]C[C@@H](O)C[C@]1(O)CCOC1 ZINC000669381297 566425727 /nfs/dbraw/zinc/42/57/27/566425727.db2.gz FIQDOGOSFMQFBV-CMPLNLGQSA-N 1 0 231.336 0.667 10 0 BCAERO c1cc([C@H]2CNC3=[NH+]CCN3C2)ccn1 ZINC000232476261 566490984 /nfs/dbraw/zinc/49/09/84/566490984.db2.gz YEPAIDLOUZAPGP-JTQLQIEISA-N 1 0 202.261 0.440 10 0 BCAERO C/C=C(/C)C(=O)O[C@H]1CC[N@@H+]2CC=C(CO)[C@H]12 ZINC000004098636 560195984 /nfs/dbraw/zinc/19/59/84/560195984.db2.gz TYGYPIIOOQNWBU-ZVRIXJHSSA-N 1 0 237.299 0.871 10 0 in-vitro BCAERO C[C@H]1COCCN1C(=O)COC1CC[NH2+]CC1 ZINC000111757521 588769487 /nfs/dbraw/zinc/76/94/87/588769487.db2.gz NAQJZJAUGGEJTQ-JTQLQIEISA-N 1 0 242.319 0.002 10 0 BCAERO CS(=O)(=O)CCN1CCCC12CC[NH2+]CC2 ZINC000757123745 582498369 /nfs/dbraw/zinc/49/83/69/582498369.db2.gz ANEDQMBTZYEPGR-UHFFFAOYSA-N 1 0 246.376 0.249 10 0 BCAERO COC[C@H](O)c1nc(CC[NH3+])cs1 ZINC000757129544 582503911 /nfs/dbraw/zinc/50/39/11/582503911.db2.gz NMFJJMMACMQTIG-ZETCQYMHSA-N 1 0 202.279 0.324 10 0 BCAERO [NH3+]C[C@@H]1COCC2(CCSCC2)O1 ZINC000757138325 582517294 /nfs/dbraw/zinc/51/72/94/582517294.db2.gz SUIDUCAAGGKILK-MRVPVSSYSA-N 1 0 203.307 0.626 10 0 BCAERO CC[C@H]1[NH2+]C[C@]2(COCCN2C)CO1 ZINC000757138825 582518443 /nfs/dbraw/zinc/51/84/43/582518443.db2.gz DVAKLWQRFIZMDY-UWVGGRQHSA-N 1 0 200.282 0.043 10 0 BCAERO CN1CC[C@]2(C1)[NH2+]CC1(CCOCC1)CO2 ZINC000757139073 582519214 /nfs/dbraw/zinc/51/92/14/582519214.db2.gz FIBBIFCYICATQG-LBPRGKRZSA-N 1 0 226.320 0.435 10 0 BCAERO NC(=O)[C@H]1CCN1c1ccccc1C[NH3+] ZINC000757139435 582519909 /nfs/dbraw/zinc/51/99/09/582519909.db2.gz BXRUMZXKKNVUJG-SNVBAGLBSA-N 1 0 205.261 0.209 10 0 BCAERO CC(C)(C)[C@H]1CCO[C@@]2(CCS(=O)(=O)C2)[NH2+]1 ZINC000757139755 582520192 /nfs/dbraw/zinc/52/01/92/582520192.db2.gz JXZRFZKAZJDESQ-MWLCHTKSSA-N 1 0 247.360 0.926 10 0 BCAERO CCCc1cc(N2CC[C@H]2C[NH3+])ncn1 ZINC000757140463 582520871 /nfs/dbraw/zinc/52/08/71/582520871.db2.gz DZEWBBLZCILQDO-JTQLQIEISA-N 1 0 206.293 0.967 10 0 BCAERO Cc1cc(CN2CC[C@@H]2C[NH3+])c(C)nn1 ZINC000757141031 582521421 /nfs/dbraw/zinc/52/14/21/582521421.db2.gz CQNSGEAYXARWPY-LLVKDONJSA-N 1 0 206.293 0.626 10 0 BCAERO C[C@H]([NH3+])[C@H](N1CC[C@H]1C(N)=O)C(C)(C)C ZINC000757141606 582522388 /nfs/dbraw/zinc/52/23/88/582522388.db2.gz DMCWIUXWXRKQDO-CIUDSAMLSA-N 1 0 213.325 0.308 10 0 BCAERO C[C@H]([NH3+])[C@@H](N1CC[C@@H]1C(N)=O)C(C)(C)C ZINC000757141642 582522429 /nfs/dbraw/zinc/52/24/29/582522429.db2.gz DMCWIUXWXRKQDO-DJLDLDEBSA-N 1 0 213.325 0.308 10 0 BCAERO O=S1(=O)CC[C@]2(C1)[NH2+]C[C@@H](C1CC1)CO2 ZINC000757142223 582522631 /nfs/dbraw/zinc/52/26/31/582522631.db2.gz BJAFIZXBQMDEPC-ZJUUUORDSA-N 1 0 231.317 0.147 10 0 BCAERO COC[C@H]1CCO[C@@]2(CCCOC2)[NH2+]1 ZINC000757143386 582523682 /nfs/dbraw/zinc/52/36/82/582523682.db2.gz CRBNHAAQFSNZRY-NXEZZACHSA-N 1 0 201.266 0.518 10 0 BCAERO Cc1cc(CN2CC[C@H]2C[NH3+])nc(C)n1 ZINC000757146371 582529649 /nfs/dbraw/zinc/52/96/49/582529649.db2.gz QHZLTTIVHPXZEL-NSHDSACASA-N 1 0 206.293 0.626 10 0 BCAERO NC(=O)[C@@H]1CCN1[C@H](C[NH3+])c1cccs1 ZINC000757148031 582532095 /nfs/dbraw/zinc/53/20/95/582532095.db2.gz VURGMGVJAACHBI-JGVFFNPUSA-N 1 0 225.317 0.308 10 0 BCAERO NC(=O)[C@H]1CCN1[C@H](C[NH3+])c1cccs1 ZINC000757148030 582532105 /nfs/dbraw/zinc/53/21/05/582532105.db2.gz VURGMGVJAACHBI-HTQZYQBOSA-N 1 0 225.317 0.308 10 0 BCAERO CC(C)(C)[C@H](C[NH3+])CN1CC[C@H]1C(N)=O ZINC000757148864 582532816 /nfs/dbraw/zinc/53/28/16/582532816.db2.gz UIDXSDUACRAFJO-BDAKNGLRSA-N 1 0 213.325 0.167 10 0 BCAERO C1CC12C[NH2+][C@]1(CN3CCC1CC3)OC2 ZINC000757148754 582532881 /nfs/dbraw/zinc/53/28/81/582532881.db2.gz VSKAZAAIHNYJHB-GFCCVEGCSA-N 1 0 208.305 0.808 10 0 BCAERO COCc1nc(CN2CC[C@@H]2C[NH3+])cs1 ZINC000757148601 582533124 /nfs/dbraw/zinc/53/31/24/582533124.db2.gz TVAMXSVWGHFUNE-SECBINFHSA-N 1 0 227.333 0.823 10 0 BCAERO COc1cc(N2CC[C@@H]2C[NH3+])nc(C)n1 ZINC000757152799 582537685 /nfs/dbraw/zinc/53/76/85/582537685.db2.gz RQBNDQAWNDZXLX-MRVPVSSYSA-N 1 0 208.265 0.331 10 0 BCAERO COC(=O)[C@@H]1C[NH2+]C[C@@H]1c1ccc(F)nc1 ZINC000757190245 582555806 /nfs/dbraw/zinc/55/58/06/582555806.db2.gz QFBCDZONYQCFPG-RKDXNWHRSA-N 1 0 224.235 0.697 10 0 BCAERO COC(=O)[C@@H]1CC[NH2+][C@H](c2cnnn2C)C1 ZINC000757216141 582560910 /nfs/dbraw/zinc/56/09/10/582560910.db2.gz XYDCWSHJRLPDRE-SFYZADRCSA-N 1 0 224.264 0.029 10 0 BCAERO O=C([O-])[C@@H]1C[NH2+]CC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000757218575 582562458 /nfs/dbraw/zinc/56/24/58/582562458.db2.gz UWAUYBURBHRRMB-LPEHRKFASA-N 1 0 212.293 0.296 10 0 BCAERO C[C@@H]1COCC[C@@]12[NH2+]CCc1nc[nH]c12 ZINC000400502117 582579609 /nfs/dbraw/zinc/57/96/09/582579609.db2.gz HHEOHLATFQZSBE-LDYMZIIASA-N 1 0 207.277 0.807 10 0 BCAERO Cc1nn(C[C@@H](O)C[NH+](C)C)c(C)c1N ZINC000068985018 582595552 /nfs/dbraw/zinc/59/55/52/582595552.db2.gz FYZIWVMVUYDUEC-VIFPVBQESA-N 1 0 212.297 0.005 10 0 BCAERO C[C@H]1CN2C(=[NH+]CC[C@@H]2c2cnn(C)c2)N1 ZINC000235694704 582603219 /nfs/dbraw/zinc/60/32/19/582603219.db2.gz SRNMQSRSECVYMJ-WCBMZHEXSA-N 1 0 219.292 0.515 10 0 BCAERO Cc1nc2n(n1)[C@H]([C@@H]1CCC[NH2+]C1)CCN2 ZINC000236035082 582636724 /nfs/dbraw/zinc/63/67/24/582636724.db2.gz DTOCHYQCJZSAHQ-ZJUUUORDSA-N 1 0 221.308 0.943 10 0 BCAERO [NH3+]C[C@H]1CCNc2c3cccnc3nn21 ZINC000236187642 582641001 /nfs/dbraw/zinc/64/10/01/582641001.db2.gz WNWOWBXGGAYQEU-SSDOTTSWSA-N 1 0 203.249 0.747 10 0 BCAERO [NH3+]C[C@@H]1CCNc2c(CCCO)cnn21 ZINC000236234629 582642135 /nfs/dbraw/zinc/64/21/35/582642135.db2.gz DWANDUIQOQEJGV-VIFPVBQESA-N 1 0 210.281 0.123 10 0 BCAERO [NH3+]CCc1nc2n(n1)[C@H](C(F)(F)F)CCN2 ZINC000236269426 582643567 /nfs/dbraw/zinc/64/35/67/582643567.db2.gz SDUAXDDJJLBHIK-YFKPBYRVSA-N 1 0 235.213 0.698 10 0 BCAERO Nc1[nH+]ccn1C[C@H]1CCCS1(=O)=O ZINC000236347525 582652819 /nfs/dbraw/zinc/65/28/19/582652819.db2.gz UWZSSLSRCGJDKX-SSDOTTSWSA-N 1 0 215.278 0.043 10 0 BCAERO Nc1cccn(CC[NH+]2CCCC2)c1=O ZINC000236380386 582654092 /nfs/dbraw/zinc/65/40/92/582654092.db2.gz UKCHBQVRBUAGLN-UHFFFAOYSA-N 1 0 207.277 0.526 10 0 BCAERO CC[C@H](C)[N@@H+]1C[C@@H](O)C[C@H]1C(=O)OC ZINC000246039204 582673676 /nfs/dbraw/zinc/67/36/76/582673676.db2.gz WYHDVBBWABHGCZ-CIUDSAMLSA-N 1 0 201.266 0.393 10 0 BCAERO CCn1c2ncccc2nc1N1CC[NH2+]CC1 ZINC000146458184 582754763 /nfs/dbraw/zinc/75/47/63/582754763.db2.gz HALFYEBTNBJOQX-UHFFFAOYSA-N 1 0 231.303 0.861 10 0 BCAERO Nc1cnc(CN2CC[N@@H+]3CCC[C@H]3C2)cn1 ZINC000300015854 582797228 /nfs/dbraw/zinc/79/72/28/582797228.db2.gz BNCYPJFIKYETJE-NSHDSACASA-N 1 0 233.319 0.339 10 0 BCAERO C[N@@H+]1CCC[C@H]1Cn1ccc(=O)c(N)c1 ZINC000386651352 582833456 /nfs/dbraw/zinc/83/34/56/582833456.db2.gz QJTGYWLMWLUYGY-VIFPVBQESA-N 1 0 207.277 0.525 10 0 BCAERO C[C@@]([NH3+])(CCCCn1ccnc1)C(N)=O ZINC000045431673 582877943 /nfs/dbraw/zinc/87/79/43/582877943.db2.gz ZQNFVVQGXKABKJ-SNVBAGLBSA-N 1 0 210.281 0.256 10 0 BCAERO Nc1[nH+]ccn1CCOC1CCOCC1 ZINC000701391609 582916535 /nfs/dbraw/zinc/91/65/35/582916535.db2.gz BMUILZMYIHFPSQ-UHFFFAOYSA-N 1 0 211.265 0.661 10 0 BCAERO CCS(=O)(=O)CCCn1cc[nH+]c1N ZINC000702460641 582926265 /nfs/dbraw/zinc/92/62/65/582926265.db2.gz SUNAHMVSVKEUOZ-UHFFFAOYSA-N 1 0 217.294 0.290 10 0 BCAERO CC(C)[C@@H](C)NC(=O)Cn1cc[nH+]c1N ZINC000702466517 582926689 /nfs/dbraw/zinc/92/66/89/582926689.db2.gz LGHKLVFIBVVIGC-MRVPVSSYSA-N 1 0 210.281 0.626 10 0 BCAERO CCC[C@@H](C)NC(=O)Cn1cc[nH+]c1N ZINC000702471772 582927249 /nfs/dbraw/zinc/92/72/49/582927249.db2.gz PINIJHCGDCHAEO-MRVPVSSYSA-N 1 0 210.281 0.770 10 0 BCAERO CC(C)n1nccc1[C@H]1NC(=O)CC[C@@H]1[NH3+] ZINC000394517998 582938848 /nfs/dbraw/zinc/93/88/48/582938848.db2.gz FHFPPYRWXPJTOU-KWQFWETISA-N 1 0 222.292 0.742 10 0 BCAERO COC[C@H](C)[NH2+]CC(=O)Nc1nccs1 ZINC000394408775 582969002 /nfs/dbraw/zinc/96/90/02/582969002.db2.gz DGJLVOUGSINESW-ZETCQYMHSA-N 1 0 229.305 0.706 10 0 BCAERO C[C@@H]1OCC[C@@H]1[NH2+]C1CCN(CCO)CC1 ZINC000393813072 583113249 /nfs/dbraw/zinc/11/32/49/583113249.db2.gz ZEBVEZDANGOFDA-JQWIXIFHSA-N 1 0 228.336 0.210 10 0 BCAERO Nc1ccc2nn3c(c2c1)NCC[C@H]3C[NH3+] ZINC000236235229 583211491 /nfs/dbraw/zinc/21/14/91/583211491.db2.gz TYIMTUPXRKYWDX-QMMMGPOBSA-N 1 0 217.276 0.934 10 0 BCAERO CC(C)[C@H](C)NC(=O)NC[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000675053179 583918031 /nfs/dbraw/zinc/91/80/31/583918031.db2.gz FFERFLCUZGUCHY-UKKRHICBSA-N 1 0 225.336 0.796 10 0 BCAERO C[C@H](C[NH3+])NS(=O)(=O)/C=C\c1ccccc1 ZINC000215563550 584954159 /nfs/dbraw/zinc/95/41/59/584954159.db2.gz JRCUJGPMESVEMB-GQYWMQPJSA-N 1 0 240.328 0.924 10 0 BCAERO CCn1nnc(C[NH3+])c1-c1ccccn1 ZINC000757138018 586426815 /nfs/dbraw/zinc/42/68/15/586426815.db2.gz QKERBMQNZHKXJX-UHFFFAOYSA-N 1 0 203.249 0.819 10 0 BCAERO CN1CC[C@@]2(C1)[NH2+]CC[C@]1(CCOC1)O2 ZINC000757138729 586427577 /nfs/dbraw/zinc/42/75/77/586427577.db2.gz DKKMGJXVRXWLAX-GHMZBOCLSA-N 1 0 212.293 0.187 10 0 BCAERO Cn1nc(CN2CC[C@@H]2C[NH3+])cc1Cl ZINC000757144181 586428311 /nfs/dbraw/zinc/42/83/11/586428311.db2.gz IHZRZEDWPCQENF-MRVPVSSYSA-N 1 0 214.700 0.607 10 0 BCAERO CN(C)c1nc(CN2CC[C@H]2C[NH3+])ns1 ZINC000757144387 586428387 /nfs/dbraw/zinc/42/83/87/586428387.db2.gz JBTVMSMFSCWGFP-ZETCQYMHSA-N 1 0 227.337 0.137 10 0 BCAERO CN1CC[C@@]2(C1)[NH2+]CC[C@H](C(F)F)O2 ZINC000757146024 586428420 /nfs/dbraw/zinc/42/84/20/586428420.db2.gz PSCJLDXQEAAXGQ-VXNVDRBHSA-N 1 0 206.236 0.662 10 0 BCAERO NC(=O)[C@H]1CCN1[C@H](C[NH3+])c1ccsc1 ZINC000757144385 586428471 /nfs/dbraw/zinc/42/84/71/586428471.db2.gz JYUIKNJAIYDTQR-RKDXNWHRSA-N 1 0 225.317 0.308 10 0 BCAERO CCC[C@@H]([NH3+])CS(=O)(=O)N1CCC1 ZINC000757150789 586428771 /nfs/dbraw/zinc/42/87/71/586428771.db2.gz FXBXQBIIAAXARZ-MRVPVSSYSA-N 1 0 206.311 0.149 10 0 BCAERO CCC[C@H]([NH3+])CS(=O)(=O)N1CCC1 ZINC000757150797 586428899 /nfs/dbraw/zinc/42/88/99/586428899.db2.gz FXBXQBIIAAXARZ-QMMMGPOBSA-N 1 0 206.311 0.149 10 0 BCAERO CCCN(CC)S(=O)(=O)C[C@H](C)[NH3+] ZINC000757154048 586429399 /nfs/dbraw/zinc/42/93/99/586429399.db2.gz UTPWDSCKFJRJMO-QMMMGPOBSA-N 1 0 208.327 0.395 10 0 BCAERO CC(C)C[C@@H]([NH3+])CS(=O)(=O)N1CCCC1 ZINC000757154246 586429940 /nfs/dbraw/zinc/42/99/40/586429940.db2.gz WKCULHVZKMSUOB-SNVBAGLBSA-N 1 0 234.365 0.785 10 0 BCAERO COC[C@H](CN1CC[C@@H]1C[NH3+])C(C)C ZINC000757157441 586430340 /nfs/dbraw/zinc/43/03/40/586430340.db2.gz NDJOQNFGYZIDDA-WDEREUQCSA-N 1 0 200.326 0.938 10 0 BCAERO CCC[NH2+]Cc1cc(C(=O)OC)nn1C ZINC000757179551 586433699 /nfs/dbraw/zinc/43/36/99/586433699.db2.gz JJHZGLSWFSJSMA-UHFFFAOYSA-N 1 0 211.265 0.706 10 0 BCAERO O=C([O-])[C@H]1C[NH2+]C[C@@]12C[NH+]1CCC2CC1 ZINC000757183669 586433890 /nfs/dbraw/zinc/43/38/90/586433890.db2.gz FDPLUTZGUBIKKF-KOLCDFICSA-N 1 0 210.277 0.002 10 0 BCAERO COC(=O)[C@@H]1C[NH2+]C[C@@]12CCS[C@@H]2C ZINC000757184075 586434168 /nfs/dbraw/zinc/43/41/68/586434168.db2.gz IQRSZIVFNXBXOF-KHQFGBGNSA-N 1 0 215.318 0.891 10 0 BCAERO COC(=O)[C@@H]1C[NH2+]C[C@]12CCS[C@@H]2C ZINC000757184078 586434259 /nfs/dbraw/zinc/43/42/59/586434259.db2.gz IQRSZIVFNXBXOF-WEDXCCLWSA-N 1 0 215.318 0.891 10 0 BCAERO CCOC(=O)[C@@H]1C[NH2+]C[C@]12CCN(C)C2 ZINC000757186063 586434533 /nfs/dbraw/zinc/43/45/33/586434533.db2.gz VMXWYPMGLCLVLY-ONGXEEELSA-N 1 0 212.293 0.091 10 0 BCAERO COC(=O)[C@@H]1C[NH2+]C[C@]12CCSC2 ZINC000757186209 586434797 /nfs/dbraw/zinc/43/47/97/586434797.db2.gz WALCRHQZACHTHI-CBAPKCEASA-N 1 0 201.291 0.502 10 0 BCAERO COC(=O)[C@@H]1C[NH2+]C[C@H]1c1ccncc1F ZINC000757187833 586435002 /nfs/dbraw/zinc/43/50/02/586435002.db2.gz IGVKXTMZLLIYBP-DTWKUNHWSA-N 1 0 224.235 0.697 10 0 BCAERO CCOC(=O)[C@H]1C[NH2+]C[C@H]1c1cc[nH]c1 ZINC000757187940 586435020 /nfs/dbraw/zinc/43/50/20/586435020.db2.gz IVXQZOPGOWBYHW-UWVGGRQHSA-N 1 0 208.261 0.881 10 0 BCAERO COC(=O)[C@H]1C[NH2+]C[C@@H]1c1scnc1C ZINC000757187986 586435179 /nfs/dbraw/zinc/43/51/79/586435179.db2.gz JCNXMHBHLFMXIZ-YUMQZZPRSA-N 1 0 226.301 0.928 10 0 BCAERO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1c1cc[nH]n1 ZINC000757191264 586435350 /nfs/dbraw/zinc/43/53/50/586435350.db2.gz SODLFKOKMQZHAP-HTQZYQBOSA-N 1 0 209.249 0.276 10 0 BCAERO COC(=O)[C@@H](C[NH3+])[C@H]1COC(C)(C)C1 ZINC000757190974 586435551 /nfs/dbraw/zinc/43/55/51/586435551.db2.gz HFZRLELEHPUIFX-SFYZADRCSA-N 1 0 201.266 0.549 10 0 BCAERO COC(=O)[C@@H](C[NH3+])[C@@H]1COC(C)(C)C1 ZINC000757190976 586435662 /nfs/dbraw/zinc/43/56/62/586435662.db2.gz HFZRLELEHPUIFX-YUMQZZPRSA-N 1 0 201.266 0.549 10 0 BCAERO CC[C@H](C)Cn1cnc(C[C@H]([NH3+])CO)c1 ZINC000757193256 586436472 /nfs/dbraw/zinc/43/64/72/586436472.db2.gz ZSDFTVCIYICNOQ-UWVGGRQHSA-N 1 0 211.309 0.791 10 0 BCAERO O=C([O-])[C@@H]1C[NH2+]C[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000757209396 586436675 /nfs/dbraw/zinc/43/66/75/586436675.db2.gz DWIQUGHLXWOURB-BBBLOLIVSA-N 1 0 212.293 0.296 10 0 BCAERO [NH3+]Cc1cccc([C@@H]2CC[NH2+]C[C@H]2C(=O)[O-])c1 ZINC000757208027 586437923 /nfs/dbraw/zinc/43/79/23/586437923.db2.gz CBXKKAPZXDDTFU-NWDGAFQWSA-N 1 0 234.299 0.923 10 0 BCAERO C[C@@H]1C[C@H](C)[C@@H](C[NH3+])[C@H](c2cnnn2C)N1 ZINC000757209956 586438506 /nfs/dbraw/zinc/43/85/06/586438506.db2.gz GREBRAXKBAXTBP-YSSBGUOXSA-N 1 0 223.324 0.449 10 0 BCAERO O=C([O-])[C@H]1CC[C@@H](C2CC[NH2+]CC2)[NH2+]C1 ZINC000757211890 586438766 /nfs/dbraw/zinc/43/87/66/586438766.db2.gz JHDLTOXMSWDUMO-UWVGGRQHSA-N 1 0 212.293 0.439 10 0 BCAERO N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(C=O)s1 ZINC000757212907 586439307 /nfs/dbraw/zinc/43/93/07/586439307.db2.gz KCWKCLOWBKZSNE-DTWKUNHWSA-N 1 0 210.302 0.965 10 0 BCAERO C[C@@H]1CC[C@@H](C[NH3+])[C@@H](c2cnnn2C)N1 ZINC000757213182 586439647 /nfs/dbraw/zinc/43/96/47/586439647.db2.gz OVFJMWCJJYVWJZ-WEDXCCLWSA-N 1 0 209.297 0.203 10 0 BCAERO N[C@H]1C[NH2+]CC[C@H]1c1ccc(C=O)s1 ZINC000757212905 586439663 /nfs/dbraw/zinc/43/96/63/586439663.db2.gz KCWKCLOWBKZSNE-BDAKNGLRSA-N 1 0 210.302 0.965 10 0 BCAERO [NH3+]C[C@H]1OC(=O)C[C@]12CCCSC2 ZINC000757225291 586442656 /nfs/dbraw/zinc/44/26/56/586442656.db2.gz SFIMQSTXVUXPLJ-APPZFPTMSA-N 1 0 201.291 0.774 10 0 BCAERO CCn1cc([C@@H]2NCC[C@H](C)[C@H]2[NH3+])cn1 ZINC000757235588 586443351 /nfs/dbraw/zinc/44/33/51/586443351.db2.gz LUUCPBPGILXBEW-GDPRMGEGSA-N 1 0 208.309 0.901 10 0 BCAERO C[NH+](C)CCCn1nnc2c1nc[nH]c2=S ZINC000757568883 586461992 /nfs/dbraw/zinc/46/19/92/586461992.db2.gz QAMCBRBEKFYLGN-UHFFFAOYSA-N 1 0 238.320 0.462 10 0 BCAERO CC(C)(O)C[NH+]1CCC(C2OCCO2)CC1 ZINC000106385448 588269491 /nfs/dbraw/zinc/26/94/91/588269491.db2.gz LGKGWDUEHPBJOC-UHFFFAOYSA-N 1 0 229.320 0.842 10 0 BCAERO Cc1c(Cl)cnn1[C@H](C)C[C@](C)([NH3+])C(N)=O ZINC000203548602 589246052 /nfs/dbraw/zinc/24/60/52/589246052.db2.gz OWERSQVUIRHLOS-LDWIPMOCSA-N 1 0 244.726 0.999 10 0 BCAERO C[C@@H]([NH3+])Cc1nc(-c2nccn2C)no1 ZINC000122078558 589552402 /nfs/dbraw/zinc/55/24/02/589552402.db2.gz FVHWXPLHQDIZQS-ZCFIWIBFSA-N 1 0 207.237 0.360 10 0 BCAERO COC(C[N@@H+]1CC[C@H](CCO)C1)OC ZINC000123685372 589770811 /nfs/dbraw/zinc/77/08/11/589770811.db2.gz WSFPFTRJFQGTEN-SECBINFHSA-N 1 0 203.282 0.310 10 0 BCAERO CN(C[C@H]1CCCO1)C(=O)C[C@H]([NH3+])C1CC1 ZINC000123968843 589888189 /nfs/dbraw/zinc/88/81/89/589888189.db2.gz QFQBJDSUZRLLQJ-MNOVXSKESA-N 1 0 226.320 0.751 10 0 BCAERO C[C@H](C[NH3+])N(C)c1ncc(Cl)cn1 ZINC000125476149 590165580 /nfs/dbraw/zinc/16/55/80/590165580.db2.gz DCKMPXDSHYROMB-ZCFIWIBFSA-N 1 0 200.673 0.913 10 0 BCAERO CCOc1cncc(N(C)[C@H](C)C[NH3+])n1 ZINC000125480000 590165625 /nfs/dbraw/zinc/16/56/25/590165625.db2.gz IZTYHRRMFNSQAV-MRVPVSSYSA-N 1 0 210.281 0.659 10 0 BCAERO CN(c1cncc(Cl)n1)[C@H]1CC[NH2+]C1 ZINC000126480084 590317585 /nfs/dbraw/zinc/31/75/85/590317585.db2.gz LGRXXNQLMMQQRU-ZETCQYMHSA-N 1 0 212.684 0.928 10 0 BCAERO CN(c1cncc(Cl)n1)[C@@H]1CC[NH2+]C1 ZINC000126479826 590317822 /nfs/dbraw/zinc/31/78/22/590317822.db2.gz LGRXXNQLMMQQRU-SSDOTTSWSA-N 1 0 212.684 0.928 10 0 BCAERO C[C@@H](NC(=O)C1([NH3+])CCOCC1)[C@H]1CCCO1 ZINC000127749252 590768630 /nfs/dbraw/zinc/76/86/30/590768630.db2.gz NTGMJHCXTUIABZ-NXEZZACHSA-N 1 0 242.319 0.178 10 0 BCAERO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)NC1CCC1 ZINC000127883160 590839489 /nfs/dbraw/zinc/83/94/89/590839489.db2.gz SHJRINGNGXTJJE-SCZZXKLOSA-N 1 0 211.309 0.966 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)NC1CCC1 ZINC000127883673 590839851 /nfs/dbraw/zinc/83/98/51/590839851.db2.gz SHJRINGNGXTJJE-WPRPVWTQSA-N 1 0 211.309 0.966 10 0 BCAERO CC(C)[C@@H]([NH3+])CC(=O)N1CCOC[C@H]1C ZINC000128921278 591186486 /nfs/dbraw/zinc/18/64/86/591186486.db2.gz LMXMRQWOPMJSHN-ZJUUUORDSA-N 1 0 214.309 0.607 10 0 BCAERO CSCCC(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000129451795 591301545 /nfs/dbraw/zinc/30/15/45/591301545.db2.gz UUTZOLXQLPZSCI-DTWKUNHWSA-N 1 0 216.350 0.996 10 0 BCAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)c1ccccn1 ZINC000129489561 591312129 /nfs/dbraw/zinc/31/21/29/591312129.db2.gz WHGSHNULXHYJKV-VHSXEESVSA-N 1 0 219.288 0.952 10 0 BCAERO [NH3+][C@@H](CC(=O)N[C@H]1CCCOC1)C1CC1 ZINC000129879832 591415239 /nfs/dbraw/zinc/41/52/39/591415239.db2.gz WCZGLVACVBHMTN-UWVGGRQHSA-N 1 0 212.293 0.409 10 0 BCAERO COC(=O)c1ccc(N(C)[C@@H](C)C[NH3+])nc1 ZINC000212559867 591415269 /nfs/dbraw/zinc/41/52/69/591415269.db2.gz MJTDKPCUSFDSPO-QMMMGPOBSA-N 1 0 223.276 0.652 10 0 BCAERO C[C@H](NC(=O)c1ccnc(C[NH3+])c1)[C@H]1CCCO1 ZINC000129983863 591428152 /nfs/dbraw/zinc/42/81/52/591428152.db2.gz FFZAALGDDAYSSG-JOYOIKCWSA-N 1 0 249.314 0.838 10 0 BCAERO C[C@@H]1CN(C(=S)NC2CC2)C[C@@H]1[NH+](C)C ZINC000130402732 591464076 /nfs/dbraw/zinc/46/40/76/591464076.db2.gz RBAPJUMTZZLMGB-SCZZXKLOSA-N 1 0 227.377 0.905 10 0 BCAERO CO[C@@H](c1noc(COCC[NH3+])n1)C1CC1 ZINC000131257583 591579141 /nfs/dbraw/zinc/57/91/41/591579141.db2.gz QTMUNLNUWIFGON-SECBINFHSA-N 1 0 227.264 0.642 10 0 BCAERO [NH3+]C[C@H]1CCCN1C(=O)[C@@H](O)c1ccccc1 ZINC000131563148 591623757 /nfs/dbraw/zinc/62/37/57/591623757.db2.gz DJWJECJKCFDMDF-NEPJUHHUSA-N 1 0 234.299 0.670 10 0 BCAERO Cc1ccnc(-c2noc([C@H]3C[C@@H](O)C[NH2+]3)n2)c1 ZINC000131765500 591653311 /nfs/dbraw/zinc/65/33/11/591653311.db2.gz VQQRXYNGIYMTFY-PSASIEDQSA-N 1 0 246.270 0.835 10 0 BCAERO [NH3+]C[C@H]1CCC[C@H]1NC(=O)c1ccnnc1 ZINC000132422438 591708341 /nfs/dbraw/zinc/70/83/41/591708341.db2.gz LZNSXZNCOXMWSS-PSASIEDQSA-N 1 0 220.276 0.334 10 0 BCAERO CCc1cc(CC)n(C[C@H]([NH2+]C)C(N)=O)n1 ZINC000132543169 591718651 /nfs/dbraw/zinc/71/86/51/591718651.db2.gz WJYFJTIYEDITHB-JTQLQIEISA-N 1 0 224.308 0.081 10 0 BCAERO C[C@@H]1OCC[C@@H]1NC(=O)[C@H]([NH3+])c1ccccc1 ZINC000134255879 591906421 /nfs/dbraw/zinc/90/64/21/591906421.db2.gz SKWHLVDWJUOZHK-ZMLRMANQSA-N 1 0 234.299 0.980 10 0 BCAERO C[C@@H]1OCC[C@H]1NC(=O)C[NH2+]CC1CC1 ZINC000134258950 591907760 /nfs/dbraw/zinc/90/77/60/591907760.db2.gz ASPLIULOFKSWFU-WCBMZHEXSA-N 1 0 212.293 0.280 10 0 BCAERO C[C@H]1OCC[C@H]1NC(=O)C[NH2+]CC1CC1 ZINC000134258934 591907827 /nfs/dbraw/zinc/90/78/27/591907827.db2.gz ASPLIULOFKSWFU-PSASIEDQSA-N 1 0 212.293 0.280 10 0 BCAERO C[C@H]1OCC[C@@H]1NC(=O)CCCCC[NH3+] ZINC000134259702 591907832 /nfs/dbraw/zinc/90/78/32/591907832.db2.gz LGXXCOYGLLKINQ-ZJUUUORDSA-N 1 0 214.309 0.799 10 0 BCAERO C[C@H]1OCC[C@@H]1NC(=O)C1CC[NH2+]CC1 ZINC000134556607 591935638 /nfs/dbraw/zinc/93/56/38/591935638.db2.gz XGJBAVYURXUJLD-SCZZXKLOSA-N 1 0 212.293 0.280 10 0 BCAERO C[C@@]1(C(=O)NC[C@@H]2COCCO2)CCCC[NH2+]1 ZINC000136175906 592100263 /nfs/dbraw/zinc/10/02/63/592100263.db2.gz MCFKFUDEMLCOSS-PWSUYJOCSA-N 1 0 242.319 0.050 10 0 BCAERO CCS(=O)(=O)CCN(C)C[C@H]1CCC[NH2+]C1 ZINC000220378110 592308331 /nfs/dbraw/zinc/30/83/31/592308331.db2.gz JVPIJCWZUAFYIS-NSHDSACASA-N 1 0 248.392 0.353 10 0 BCAERO CS[C@@H]1CC[C@H](NC(=O)[C@H]2C[C@@H](O)C[NH2+]2)C1 ZINC000300358478 592508029 /nfs/dbraw/zinc/50/80/29/592508029.db2.gz HMRQKUBWXRNEJZ-SGIHWFKDSA-N 1 0 244.360 0.110 10 0 BCAERO CC(C)OC[C@H](O)C[NH2+][C@H]1CCCC[C@H]1CO ZINC000300416891 592511970 /nfs/dbraw/zinc/51/19/70/592511970.db2.gz ZBACDBKDJQFWSA-XQQFMLRXSA-N 1 0 245.363 0.913 10 0 BCAERO Cc1ccnc(N(C)CCOCC[NH3+])n1 ZINC000301020002 592526634 /nfs/dbraw/zinc/52/66/34/592526634.db2.gz JSAWQCUIFIYKII-UHFFFAOYSA-N 1 0 210.281 0.197 10 0 BCAERO O=C(C[C@H]1COC2(C[NH2+]C2)C1)NCC1CC1 ZINC000827809630 592705635 /nfs/dbraw/zinc/70/56/35/592705635.db2.gz WXNAKHDRJITGJD-SNVBAGLBSA-N 1 0 224.304 0.281 10 0 BCAERO CCCCOC[C@H](O)C[NH2+]C[C@H]1CCC[C@H]1O ZINC000300299977 634377529 /nfs/dbraw/zinc/37/75/29/634377529.db2.gz RZHFCQGZEYLYGT-JHJVBQTASA-N 1 0 245.363 0.915 10 0 BCAERO CN1CCO[C@H](C[NH2+][C@H]2COCC2(C)C)C1 ZINC000313091771 634448828 /nfs/dbraw/zinc/44/88/28/634448828.db2.gz UGGGUIUGNGKWIP-MNOVXSKESA-N 1 0 228.336 0.332 10 0 BCAERO CC(C)OC(=O)CNC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000236762181 634584472 /nfs/dbraw/zinc/58/44/72/634584472.db2.gz OXMQDKWDOQUXJY-GFCCVEGCSA-N 1 0 242.319 0.586 10 0 BCAERO CC(C)C[C@H](O)CNC(=O)C[C@H]([NH3+])C(C)C ZINC000225812263 635418535 /nfs/dbraw/zinc/41/85/35/635418535.db2.gz BAMFRRSYKJUOGL-QWRGUYRKSA-N 1 0 230.352 0.883 10 0 BCAERO CC(C)C1(C[NH2+][C@@H]2CS(=O)(=O)C[C@H]2O)CC1 ZINC000227791265 635454921 /nfs/dbraw/zinc/45/49/21/635454921.db2.gz YNAALBCFKXEETP-NXEZZACHSA-N 1 0 247.360 0.170 10 0 BCAERO [NH3+][C@H](CC(=O)N[C@@H]1CCC[C@@H](O)C1)C1CC1 ZINC000228530340 635461448 /nfs/dbraw/zinc/46/14/48/635461448.db2.gz KKEJVQAMVXDHCT-GMTAPVOTSA-N 1 0 226.320 0.534 10 0 BCAERO [NH3+]C[C@H]1CCO[C@H]1c1nc(C2CC2)no1 ZINC000399832022 635606206 /nfs/dbraw/zinc/60/62/06/635606206.db2.gz YXNKQHHXNUAHKC-HTQZYQBOSA-N 1 0 209.249 0.983 10 0 BCAERO CO[C@@H]1C[C@@H]([NH2+]C[C@@](C)(O)CO)C12CCC2 ZINC000308348762 631295031 /nfs/dbraw/zinc/29/50/31/631295031.db2.gz RVXOQWWAJZFDKT-GMTAPVOTSA-N 1 0 229.320 0.277 10 0 BCAERO CCO[C@H](C)C(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000261595460 631384102 /nfs/dbraw/zinc/38/41/02/631384102.db2.gz YEDOTQVKHZVCCS-KXUCPTDWSA-N 1 0 214.309 0.655 10 0 BCAERO NC(=O)c1cc(NCC2CC([NH3+])C2)ccn1 ZINC000084447877 631440252 /nfs/dbraw/zinc/44/02/52/631440252.db2.gz WJOUXOPPOSIYJP-UHFFFAOYSA-N 1 0 220.276 0.330 10 0 BCAERO COC[C@@H](C)[NH2+]CC[C@H]1CCOC1=O ZINC000308618909 631447256 /nfs/dbraw/zinc/44/72/56/631447256.db2.gz SLNDRNWWHZLMDP-BDAKNGLRSA-N 1 0 201.266 0.564 10 0 BCAERO C[NH2+][C@@H](C)CNC(=O)[C@H]1CCCCO1 ZINC000234423802 631512968 /nfs/dbraw/zinc/51/29/68/631512968.db2.gz PIJDYWXJTHGKCZ-DTWKUNHWSA-N 1 0 200.282 0.280 10 0 BCAERO C[NH2+][C@H](C)CNC(=O)C[C@@H]1CCCCO1 ZINC000234427944 631520401 /nfs/dbraw/zinc/52/04/01/631520401.db2.gz XBRRHFDLASOFOF-ZJUUUORDSA-N 1 0 214.309 0.670 10 0 BCAERO C[NH2+][C@H](C)CNS(=O)(=O)N1CCC(C)CC1 ZINC000234439347 631527999 /nfs/dbraw/zinc/52/79/99/631527999.db2.gz IWRHFLZLTPZLER-SNVBAGLBSA-N 1 0 249.380 0.161 10 0 BCAERO CN(C[C@H]1CCCO1)[C@@H](C[NH3+])C(F)(F)F ZINC000042463420 631733047 /nfs/dbraw/zinc/73/30/47/631733047.db2.gz OTWWJGBMPIFTKA-SFYZADRCSA-N 1 0 226.242 0.987 10 0 BCAERO CC[NH2+]CC(=O)N[C@H](C)[C@H]1CCCO1 ZINC000044647195 631819740 /nfs/dbraw/zinc/81/97/40/631819740.db2.gz XNKVTLITFATOEW-RKDXNWHRSA-N 1 0 200.282 0.280 10 0 BCAERO C[C@@H]([NH2+]C[C@H]1CNC(=O)O1)c1ccccn1 ZINC000292057608 631988778 /nfs/dbraw/zinc/98/87/78/631988778.db2.gz WJJMCRXQAFMECP-BDAKNGLRSA-N 1 0 221.260 0.841 10 0 BCAERO CC(C)(C)[C@H](O)C[NH2+]C1(C(N)=O)CCCC1 ZINC000309358658 632010614 /nfs/dbraw/zinc/01/06/14/632010614.db2.gz OHSFEDQOHRXMJI-SECBINFHSA-N 1 0 228.336 0.781 10 0 BCAERO [NH3+]C1CC(CNc2nnnn2-c2ccccc2)C1 ZINC000091538592 632059667 /nfs/dbraw/zinc/05/96/67/632059667.db2.gz CNRIZPVCGWZTQQ-UHFFFAOYSA-N 1 0 244.302 0.812 10 0 BCAERO CC(C)OC[C@H](O)CN1CCCC[C@H]1C[NH3+] ZINC000250592870 635700289 /nfs/dbraw/zinc/70/02/89/635700289.db2.gz VLLTVPLBAPBCFU-NWDGAFQWSA-N 1 0 230.352 0.586 10 0 BCAERO CO[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CN(C)CCO1 ZINC000252643512 635711641 /nfs/dbraw/zinc/71/16/41/635711641.db2.gz NVMKNTJBKGCFDM-QJPTWQEYSA-N 1 0 228.336 0.474 10 0 BCAERO Cc1cc(C(=O)N[C@H]2C[NH+]3CCC2CC3)nn1C ZINC000222540302 635729983 /nfs/dbraw/zinc/72/99/83/635729983.db2.gz NSMMVAYZSUKUPT-LBPRGKRZSA-N 1 0 248.330 0.553 10 0 BCAERO C[NH+](C)CCNC(=O)c1cncc2cccnc21 ZINC000222618894 635732484 /nfs/dbraw/zinc/73/24/84/635732484.db2.gz RRWRRMAYHMZZFC-UHFFFAOYSA-N 1 0 244.298 0.921 10 0 BCAERO Cn1ncc(C[NH2+][C@H]2CCC[C@H](O)C2)n1 ZINC000308928138 632471861 /nfs/dbraw/zinc/47/18/61/632471861.db2.gz LEJWMDPUXBBIJU-WPRPVWTQSA-N 1 0 210.281 0.208 10 0 BCAERO O=C1NC[C@@H](C[NH2+]C2(CO)CCCCC2)O1 ZINC000309559878 632495617 /nfs/dbraw/zinc/49/56/17/632495617.db2.gz IYYALWWIOXOUMT-VIFPVBQESA-N 1 0 228.292 0.380 10 0 BCAERO [NH3+]C[C@@H]1CCCN1C[C@H](O)C(F)(F)F ZINC000168912365 632507532 /nfs/dbraw/zinc/50/75/32/632507532.db2.gz INORVSDYYDOVAG-BQBZGAKWSA-N 1 0 212.215 0.333 10 0 BCAERO C[C@@H]([NH2+]C[C@@H]1CNC(=O)O1)c1cn[nH]c1 ZINC000309002268 632614840 /nfs/dbraw/zinc/61/48/40/632614840.db2.gz ONNLFIGAXMYXNK-HTRCEHHLSA-N 1 0 210.237 0.169 10 0 BCAERO C[C@@H]([NH3+])CCNC(=O)C(=O)C(C)(C)C ZINC000309102667 632638891 /nfs/dbraw/zinc/63/88/91/632638891.db2.gz GMTQJPGFZJQNKT-SSDOTTSWSA-N 1 0 200.282 0.455 10 0 BCAERO NC(=O)c1cc(N[C@H]2CCC[C@H]2C[NH3+])ccn1 ZINC000089105912 632659863 /nfs/dbraw/zinc/65/98/63/632659863.db2.gz MQHGAAFRPXKCLI-WPRPVWTQSA-N 1 0 234.303 0.720 10 0 BCAERO COC(=O)c1ccc(CN2CCC[C@H]([NH3+])C2)nc1 ZINC000094762290 632671116 /nfs/dbraw/zinc/67/11/16/632671116.db2.gz MYBDGUCADOVWRB-NSHDSACASA-N 1 0 249.314 0.791 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1CN1C[C@@H](C)O[C@H](C)C1 ZINC000235334255 632673823 /nfs/dbraw/zinc/67/38/23/632673823.db2.gz QAUOMXKOCLTFLF-KKOKHZNYSA-N 1 0 212.337 0.951 10 0 BCAERO C[C@H](C[C@@H]1CCC(=O)N1)[NH2+][C@H]1CCO[C@H]1C ZINC000309261022 632854791 /nfs/dbraw/zinc/85/47/91/632854791.db2.gz QGQMMPRWVLDYBS-RCWTZXSCSA-N 1 0 226.320 0.811 10 0 BCAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)[C@@H](O)c1ccccc1 ZINC000229581610 632980865 /nfs/dbraw/zinc/98/08/65/632980865.db2.gz OSNOTKMHUBDBPJ-UHTWSYAYSA-N 1 0 248.326 0.977 10 0 BCAERO CN1CCO[C@@H](C[NH2+][C@H]2CCc3cccnc32)C1 ZINC000299928398 635893341 /nfs/dbraw/zinc/89/33/41/635893341.db2.gz GNNKQIIXYBQPHA-STQMWFEESA-N 1 0 247.342 0.989 10 0 BCAERO COC(=O)c1cc(C[NH2+][C@@H](C)[C@@H](C)O)c[nH]1 ZINC000309451742 633084555 /nfs/dbraw/zinc/08/45/55/633084555.db2.gz LHSFCANFQXEULX-JGVFFNPUSA-N 1 0 226.276 0.660 10 0 BCAERO CC[N@H+](C)C[C@@H](O)Cn1cc(N)c(C)n1 ZINC000704816584 633092945 /nfs/dbraw/zinc/09/29/45/633092945.db2.gz YNMQIBYIEPQQNG-SECBINFHSA-N 1 0 212.297 0.086 10 0 BCAERO Cc1cc(N)nc(NC[C@H]2CCC[C@H]2O)[nH+]1 ZINC000892702987 633157145 /nfs/dbraw/zinc/15/71/45/633157145.db2.gz FLCDMSGWPMJOFV-RKDXNWHRSA-N 1 0 222.292 0.940 10 0 BCAERO Cc1nnc2n1C[C@@H]([NH2+][C@@H](C)CCO)CC2 ZINC000309503859 633178185 /nfs/dbraw/zinc/17/81/85/633178185.db2.gz BNCXDFLIUYRHCC-WPRPVWTQSA-N 1 0 224.308 0.262 10 0 BCAERO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)C(C)(F)F ZINC000306225342 635958430 /nfs/dbraw/zinc/95/84/30/635958430.db2.gz AZGXVLZAYCQGRL-RQJHMYQMSA-N 1 0 206.236 0.898 10 0 BCAERO O[C@@H]1CCC[C@@H](C[N@@H+]2CCC3(C2)OCCO3)C1 ZINC000306748457 635974466 /nfs/dbraw/zinc/97/44/66/635974466.db2.gz LBXGHXIQZMAJEB-VXGBXAGGSA-N 1 0 241.331 0.986 10 0 BCAERO [NH3+]C[C@@H]1C[C@H](F)CN1C(=O)C1CCC1 ZINC000307064158 635981829 /nfs/dbraw/zinc/98/18/29/635981829.db2.gz PWXMXOVQOVJKMJ-IUCAKERBSA-N 1 0 200.257 0.684 10 0 BCAERO C[C@H]1CN(CC(=O)N2CCC(C)CC2)C[C@@H]1[NH3+] ZINC000232805759 636048992 /nfs/dbraw/zinc/04/89/92/636048992.db2.gz JEAYRGPJXQYCEO-RYUDHWBXSA-N 1 0 239.363 0.524 10 0 BCAERO COc1cc(C)nc(N2CCC[C@@H]2C[NH3+])n1 ZINC000166466864 636129601 /nfs/dbraw/zinc/12/96/01/636129601.db2.gz ZBPJTBJHNIFLBN-SECBINFHSA-N 1 0 222.292 0.721 10 0 BCAERO CC(C)(CO)[NH2+]CCCN1CCOC1=O ZINC000067486016 636139506 /nfs/dbraw/zinc/13/95/06/636139506.db2.gz KVFXXAXXZSXGSX-UHFFFAOYSA-N 1 0 216.281 0.189 10 0 BCAERO CCCCCNC(=O)C[NH2+]C(C)(C)CO ZINC000067486142 636139612 /nfs/dbraw/zinc/13/96/12/636139612.db2.gz ZDBDLIFFBSBZLE-UHFFFAOYSA-N 1 0 216.325 0.653 10 0 BCAERO [NH3+]CC1CC(NS(=O)(=O)CCCF)C1 ZINC000308829990 633821859 /nfs/dbraw/zinc/82/18/59/633821859.db2.gz AEAYOFSTVSMDFV-UHFFFAOYSA-N 1 0 224.301 0.003 10 0 BCAERO CO[C@H](C)C(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000252714430 633825398 /nfs/dbraw/zinc/82/53/98/633825398.db2.gz RXUFVWDXDVSCTF-VGMNWLOBSA-N 1 0 200.282 0.265 10 0 BCAERO Cc1cc(C[NH2+][C@@H]2CCNC2=O)c(C)o1 ZINC000309237029 633873119 /nfs/dbraw/zinc/87/31/19/633873119.db2.gz XSSARSGXMGDXIK-SNVBAGLBSA-N 1 0 208.261 0.875 10 0 BCAERO CC(C)(C)OC[C@H](O)C[NH2+][C@@H](CO)C1CC1 ZINC000309375179 633903240 /nfs/dbraw/zinc/90/32/40/633903240.db2.gz RCFBLRNKGGUMFE-MNOVXSKESA-N 1 0 231.336 0.523 10 0 BCAERO c1cnn(CC2CC[NH+](Cn3cnnc3)CC2)c1 ZINC000182591961 633952601 /nfs/dbraw/zinc/95/26/01/633952601.db2.gz KSBRZFWSQAFBHG-UHFFFAOYSA-N 1 0 246.318 0.844 10 0 BCAERO CCCS(=O)(=O)CC[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000183135933 633968299 /nfs/dbraw/zinc/96/82/99/633968299.db2.gz IVRRIRQLAKUFIO-QWRGUYRKSA-N 1 0 249.376 0.968 10 0 BCAERO CC(C)OC(=O)CNC(=O)CC[C@H]1CCC[NH2+]1 ZINC000312274672 634010457 /nfs/dbraw/zinc/01/04/57/634010457.db2.gz MTDNWNIEMIFYBI-SNVBAGLBSA-N 1 0 242.319 0.586 10 0 BCAERO CCCN(CCC)C(=O)C[NH2+]C(C)(C)CO ZINC000309996492 634054245 /nfs/dbraw/zinc/05/42/45/634054245.db2.gz CGNDBUUAGRTUJH-UHFFFAOYSA-N 1 0 230.352 0.996 10 0 BCAERO CO[C@H]1C[C@@H](CO)N(c2cc[nH+]c(CO)c2)C1 ZINC000310102359 634073044 /nfs/dbraw/zinc/07/30/44/634073044.db2.gz BVYYATIQBDJILD-RYUDHWBXSA-N 1 0 238.287 0.160 10 0 BCAERO C[C@H](NC(=O)C1CC[NH2+]CC1)[C@H]1CCCO1 ZINC000035735002 634078283 /nfs/dbraw/zinc/07/82/83/634078283.db2.gz JSVZLTWYCUBRNX-GXSJLCMTSA-N 1 0 226.320 0.670 10 0 BCAERO Cn1ncc2c1ncnc2NC[C@@H]1CCC[NH2+]1 ZINC000053255053 634110402 /nfs/dbraw/zinc/11/04/02/634110402.db2.gz NYWLFFDOCFLJRS-QMMMGPOBSA-N 1 0 232.291 0.527 10 0 BCAERO CN(C)S(=O)(=O)C[C@H]([NH3+])C(C)(C)C ZINC000075417447 634310721 /nfs/dbraw/zinc/31/07/21/634310721.db2.gz ZHCDMCKMVNXRSA-ZETCQYMHSA-N 1 0 208.327 0.251 10 0 BCAERO COC[C@H]([NH3+])C(=O)NC[C@@H](C)C(C)(C)C ZINC000162744339 634333043 /nfs/dbraw/zinc/33/30/43/634333043.db2.gz JJOAPXJZWAESJZ-BDAKNGLRSA-N 1 0 216.325 0.759 10 0 BCAERO CN(C)c1nccc(N(C)CC(C)(C)C[NH3+])n1 ZINC000093874575 635132000 /nfs/dbraw/zinc/13/20/00/635132000.db2.gz NEESGCXWVAIYQI-UHFFFAOYSA-N 1 0 237.351 0.964 10 0 BCAERO Cc1nnc2c(N(C)CC(C)(C)C[NH3+])nccn12 ZINC000093874642 635132875 /nfs/dbraw/zinc/13/28/75/635132875.db2.gz RKRLHTPMHGILPX-UHFFFAOYSA-N 1 0 248.334 0.854 10 0 BCAERO OCC[C@H]1CC[N@H+](CCN2CCCC2)C1 ZINC000162894690 635164499 /nfs/dbraw/zinc/16/44/99/635164499.db2.gz KUQREDHQCSJRID-GFCCVEGCSA-N 1 0 212.337 0.787 10 0 BCAERO CN(C)c1cc(NC[C@@H]2CCC[NH2+]2)ncn1 ZINC000258558441 635170188 /nfs/dbraw/zinc/17/01/88/635170188.db2.gz BJGLVNUPRMSMKO-VIFPVBQESA-N 1 0 221.308 0.707 10 0 BCAERO Cc1ccc(CNC(=O)C2CC([NH3+])C2)o1 ZINC000258668948 635185289 /nfs/dbraw/zinc/18/52/89/635185289.db2.gz IAPOZUYVHQSDCZ-UHFFFAOYSA-N 1 0 208.261 0.942 10 0 BCAERO CN(CCc1ccccn1)C(=O)C1CC([NH3+])C1 ZINC000258820192 635207800 /nfs/dbraw/zinc/20/78/00/635207800.db2.gz XZPTUXUYCOFWJU-UHFFFAOYSA-N 1 0 233.315 0.820 10 0 BCAERO Cc1ccncc1C[NH2+]C1CCN(CCO)CC1 ZINC000399055031 635207867 /nfs/dbraw/zinc/20/78/67/635207867.db2.gz ZIJVHHSKSABMRH-UHFFFAOYSA-N 1 0 249.358 0.936 10 0 BCAERO CC[C@@H](CO)C(=O)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000258832567 635210100 /nfs/dbraw/zinc/21/01/00/635210100.db2.gz SCZXVOUVYYCVJW-MNOVXSKESA-N 1 0 228.336 0.415 10 0 BCAERO Cc1cccc(N(C)C(=O)[C@@H]([NH3+])CO)c1 ZINC000259074629 635239686 /nfs/dbraw/zinc/23/96/86/635239686.db2.gz XKNMAAGDLWBLFD-JTQLQIEISA-N 1 0 208.261 0.277 10 0 BCAERO CCOCCOCC(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000236910255 635350026 /nfs/dbraw/zinc/35/00/26/635350026.db2.gz GPDFAJYWCNEORO-QWRGUYRKSA-N 1 0 244.335 0.283 10 0 BCAERO CC(C)OC[C@H](O)C[NH2+][C@@H]1CCCC[C@@H]1CO ZINC000132442243 636230799 /nfs/dbraw/zinc/23/07/99/636230799.db2.gz ZBACDBKDJQFWSA-JHJVBQTASA-N 1 0 245.363 0.913 10 0 BCAERO CCOC(=O)[C@H](C)NC(=O)C[C@H]1CCC[NH2+]C1 ZINC000054308947 636357179 /nfs/dbraw/zinc/35/71/79/636357179.db2.gz UNWWRMUHKASNQM-VHSXEESVSA-N 1 0 242.319 0.444 10 0 BCAERO CCOC(=O)[C@@H](C)NC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054308944 636357464 /nfs/dbraw/zinc/35/74/64/636357464.db2.gz UNWWRMUHKASNQM-ZJUUUORDSA-N 1 0 242.319 0.444 10 0 BCAERO Cc1nccc(NCCN2CCC([NH3+])CC2)n1 ZINC000321347147 636635847 /nfs/dbraw/zinc/63/58/47/636635847.db2.gz LPEFYBDVPHTTBB-UHFFFAOYSA-N 1 0 235.335 0.620 10 0 BCAERO C[C@@H]1C[C@@H]1NC(=O)C1(C[NH3+])CCOCC1 ZINC000052277178 636671159 /nfs/dbraw/zinc/67/11/59/636671159.db2.gz WUVGVCLCJFLTPT-BDAKNGLRSA-N 1 0 212.293 0.267 10 0 BCAERO C[C@@H]1C[C@@H]1NC(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000237351096 636724875 /nfs/dbraw/zinc/72/48/75/636724875.db2.gz YPSHHRIFCNKJQR-UTLUCORTSA-N 1 0 212.293 0.280 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@@H]1CCCC[C@@H]1O ZINC000085988394 636883567 /nfs/dbraw/zinc/88/35/67/636883567.db2.gz WPRHUJCINSVNKR-KXNHARMFSA-N 1 0 240.347 0.509 10 0 BCAERO [NH3+][C@H]1CCCN(C(=O)[C@@H](O)c2ccccc2)C1 ZINC000041028051 636950143 /nfs/dbraw/zinc/95/01/43/636950143.db2.gz KGGUYDFJKWPXBR-RYUDHWBXSA-N 1 0 234.299 0.670 10 0 BCAERO CC(C)C[C@@H]([NH3+])C(=O)N[C@H]1CCC[C@@H](O)C1 ZINC000163545375 636987456 /nfs/dbraw/zinc/98/74/56/636987456.db2.gz XAKHLWNNBCWYLO-HBNTYKKESA-N 1 0 228.336 0.780 10 0 BCAERO CC(C)[C@H](C)NC(=O)C[NH2+]C(C)(C)CO ZINC000042237741 637090962 /nfs/dbraw/zinc/09/09/62/637090962.db2.gz ZJRNNMYIMHLGDE-VIFPVBQESA-N 1 0 216.325 0.508 10 0 BCAERO CN(Cc1cccs1)C(=O)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000035717420 639864712 /nfs/dbraw/zinc/86/47/12/639864712.db2.gz MXDYSROYQZQUFU-SCZZXKLOSA-N 1 0 240.328 0.429 10 0 BCAERO Cn1nc(C2CC2)nc1C[C@H]1CCC[NH2+]1 ZINC000054698408 640303799 /nfs/dbraw/zinc/30/37/99/640303799.db2.gz CFBGHEWJDGYIMJ-SECBINFHSA-N 1 0 206.293 0.987 10 0 BCAERO CCc1nc([C@@H]2C[C@@H](OC)C[NH2+]2)n(C)n1 ZINC000054697109 640306163 /nfs/dbraw/zinc/30/61/63/640306163.db2.gz LCMVKKGEBAQORG-SFYZADRCSA-N 1 0 210.281 0.427 10 0 BCAERO CCc1nc([C@@H]([NH3+])Cc2c[nH]cn2)n(C)n1 ZINC000054697010 640306453 /nfs/dbraw/zinc/30/64/53/640306453.db2.gz QNCMLWOJGFMEJV-QMMMGPOBSA-N 1 0 220.280 0.343 10 0 BCAERO Cn1nc(C2CCCCC2)nc1[C@H]([NH3+])CO ZINC000054699421 640321039 /nfs/dbraw/zinc/32/10/39/640321039.db2.gz SPMGVEFNMAKEFS-SECBINFHSA-N 1 0 224.308 0.855 10 0 BCAERO Cn1nc(-c2cccs2)nc1[C@@H]([NH3+])CCO ZINC000054699779 640321268 /nfs/dbraw/zinc/32/12/68/640321268.db2.gz OHEYJEYGVADDKQ-ZETCQYMHSA-N 1 0 238.316 0.926 10 0 BCAERO [NH3+]C[C@@H]1CCCCN1C(=O)[C@@H]1CSC(=O)N1 ZINC000044541351 640402234 /nfs/dbraw/zinc/40/22/34/640402234.db2.gz FYXHUMZAUWSCJJ-YUMQZZPRSA-N 1 0 243.332 0.151 10 0 BCAERO O=C(N[C@H]1C[NH+]2CCC1CC2)C1CCC1 ZINC000222588929 640493887 /nfs/dbraw/zinc/49/38/87/640493887.db2.gz FZWPIZXKSHBBPF-NSHDSACASA-N 1 0 208.305 0.997 10 0 BCAERO CCn1nccc1[C@H]1C[NH2+]C[C@H]1C(=O)OC ZINC000164959503 640523380 /nfs/dbraw/zinc/52/33/80/640523380.db2.gz CTGSIUHVRIULMQ-DTWKUNHWSA-N 1 0 223.276 0.379 10 0 BCAERO CCn1nccc1[C@@H]1C[NH2+]C[C@@H]1C(=O)OC ZINC000164959167 640524008 /nfs/dbraw/zinc/52/40/08/640524008.db2.gz CTGSIUHVRIULMQ-BDAKNGLRSA-N 1 0 223.276 0.379 10 0 BCAERO O=S1(=O)C[C@@H](O)[C@H]([NH2+]C[C@@H]2CC=CCC2)C1 ZINC000223311157 640547207 /nfs/dbraw/zinc/54/72/07/640547207.db2.gz DWAOXFQCZDHORB-GMTAPVOTSA-N 1 0 245.344 0.090 10 0 BCAERO C[NH2+][C@@H](Cn1cnc2ccccc21)C(N)=O ZINC000045434173 640556418 /nfs/dbraw/zinc/55/64/18/640556418.db2.gz OMFJZKNSLGISSF-VIFPVBQESA-N 1 0 218.260 0.110 10 0 BCAERO C[NH2+][C@](C)(CCCCn1cccn1)C(N)=O ZINC000045434596 640557036 /nfs/dbraw/zinc/55/70/36/640557036.db2.gz OSDSKLQCOYWGDT-LLVKDONJSA-N 1 0 224.308 0.517 10 0 BCAERO Cc1cc(C)n(C[C@@H]([NH2+]C2CC2)C(N)=O)n1 ZINC000045433235 640557190 /nfs/dbraw/zinc/55/71/90/640557190.db2.gz WTRPWSDEYUIEMN-SNVBAGLBSA-N 1 0 222.292 0.106 10 0 BCAERO CC[NH2+][C@](C)(Cn1nc(C)cc1C)C(N)=O ZINC000045433732 640557254 /nfs/dbraw/zinc/55/72/54/640557254.db2.gz JHCMZHGFKAYOMZ-LLVKDONJSA-N 1 0 224.308 0.353 10 0 BCAERO CC(C)[NH2+][C@](C)(CCn1ccnc1)C(N)=O ZINC000045432381 640557775 /nfs/dbraw/zinc/55/77/75/640557775.db2.gz PZSLEJLCPICHAG-LLVKDONJSA-N 1 0 224.308 0.515 10 0 BCAERO NC(=O)[C@@H]([NH3+])Cn1ccnc1-c1cccs1 ZINC000045461361 640567102 /nfs/dbraw/zinc/56/71/02/640567102.db2.gz QMFBYQAPYBSZAL-ZETCQYMHSA-N 1 0 236.300 0.424 10 0 BCAERO C[C@@H]([NH2+]C[C@H](O)CO)c1ccc(F)c(F)c1 ZINC000078430169 640673025 /nfs/dbraw/zinc/67/30/25/640673025.db2.gz BNIBXIADMJQIEQ-APPZFPTMSA-N 1 0 231.242 0.969 10 0 BCAERO Cn1cc(/C=C/C(=O)N[C@@H]2CCC[C@H]2C[NH3+])cn1 ZINC000157907619 640771391 /nfs/dbraw/zinc/77/13/91/640771391.db2.gz BRWABJSWPITAMX-CYLBZQBVSA-N 1 0 248.330 0.677 10 0 BCAERO O=C(NC[C@H]1CCC[C@H]1O)[C@H]1CCCC[NH2+]1 ZINC000158046660 640788681 /nfs/dbraw/zinc/78/86/81/640788681.db2.gz MYHIXKBVYYQCNO-GMTAPVOTSA-N 1 0 226.320 0.406 10 0 BCAERO CN1CCO[C@@H](C[NH2+][C@@H]2CCc3cccnc32)C1 ZINC000226824016 640796343 /nfs/dbraw/zinc/79/63/43/640796343.db2.gz GNNKQIIXYBQPHA-QWHCGFSZSA-N 1 0 247.342 0.989 10 0 BCAERO CC[C@H](O)CCNC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000158083520 640806519 /nfs/dbraw/zinc/80/65/19/640806519.db2.gz VDQNXDXOKHBLAU-GUBZILKMSA-N 1 0 214.309 0.391 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)[C@@H](O)c1ccccc1 ZINC000226984223 640807794 /nfs/dbraw/zinc/80/77/94/640807794.db2.gz CSJFCOVPUHZIEJ-XQQFMLRXSA-N 1 0 248.326 0.964 10 0 BCAERO CNc1cc(N2C[C@@H](C)[C@H]([NH+](C)C)C2)ncn1 ZINC000227249992 640821877 /nfs/dbraw/zinc/82/18/77/640821877.db2.gz DBNWYGUXIHWKDJ-NXEZZACHSA-N 1 0 235.335 0.905 10 0 BCAERO C[C@]1(C(=O)NC[C@H](O)C(F)(F)F)CCC[NH2+]1 ZINC000227424274 640833370 /nfs/dbraw/zinc/83/33/70/640833370.db2.gz AYDOBGODQVCERG-POYBYMJQSA-N 1 0 240.225 0.168 10 0 BCAERO C[C@H](NC(=O)C[C@H]1C[NH2+]CCO1)[C@@H]1CCCO1 ZINC000227573981 640839603 /nfs/dbraw/zinc/83/96/03/640839603.db2.gz UOOVSPYACBJVNR-DCAQKATOSA-N 1 0 242.319 0.049 10 0 BCAERO CCCCOC[C@H](O)C[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000227911600 640853613 /nfs/dbraw/zinc/85/36/13/640853613.db2.gz XTUMVRPZDPJKCN-JHJVBQTASA-N 1 0 244.379 0.833 10 0 BCAERO CCCCOC[C@H](O)C[N@H+](C)CCC[NH3+] ZINC000227911546 640853673 /nfs/dbraw/zinc/85/36/73/640853673.db2.gz XAELTYVEGMJYRJ-LLVKDONJSA-N 1 0 218.341 0.445 10 0 BCAERO CCCCOC[C@@H](O)Cn1cc([C@@H](C)[NH3+])nn1 ZINC000227913675 640854053 /nfs/dbraw/zinc/85/40/53/640854053.db2.gz HOGWNMVUNGOLRZ-ZJUUUORDSA-N 1 0 242.323 0.475 10 0 BCAERO c1nc2c(c(N[C@@H]3CC[NH2+]C3)n1)CCC2 ZINC000061277717 640948252 /nfs/dbraw/zinc/94/82/52/640948252.db2.gz DOCPXTBLEPTCPW-MRVPVSSYSA-N 1 0 204.277 0.739 10 0 BCAERO CC[C@](C)(O)C[N@@H+]1CCN(C)[C@@H](C)C1 ZINC000229391918 640953001 /nfs/dbraw/zinc/95/30/01/640953001.db2.gz BXXBWAOLZFAVOT-QWRGUYRKSA-N 1 0 200.326 0.783 10 0 BCAERO CC[C@](C)(O)C[N@@H+]1CC[C@H](NC(=O)OC)C1 ZINC000229396595 640953490 /nfs/dbraw/zinc/95/34/90/640953490.db2.gz RUBUYJNMVMXJSY-ONGXEEELSA-N 1 0 230.308 0.578 10 0 BCAERO C[C@H]1COCCN1C(=O)[C@@H](C[NH3+])c1ccccc1 ZINC000061611362 640977739 /nfs/dbraw/zinc/97/77/39/640977739.db2.gz PRQPZJIEDZHWRG-AAEUAGOBSA-N 1 0 248.326 0.976 10 0 BCAERO C[C@H](C[NH3+])c1noc(-c2ccnn2C)n1 ZINC000061665749 640984707 /nfs/dbraw/zinc/98/47/07/640984707.db2.gz XGTIREZJNRCZCX-ZCFIWIBFSA-N 1 0 207.237 0.532 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@H]1NS(=O)(=O)N1CCCC1 ZINC000061884006 641003429 /nfs/dbraw/zinc/00/34/29/641003429.db2.gz UAMIYYZPTPYDNS-VHSXEESVSA-N 1 0 247.364 0.044 10 0 BCAERO [NH3+][C@H](CC(=O)NC[C@@H](O)C(F)(F)F)C1CC1 ZINC000230062360 641010117 /nfs/dbraw/zinc/01/01/17/641010117.db2.gz ZDQKNTCQUZFFHI-RNFRBKRXSA-N 1 0 240.225 0.153 10 0 BCAERO CCCn1cc(NC(=O)[C@H]2CC[NH2+]C2)ccc1=O ZINC000062114346 641020869 /nfs/dbraw/zinc/02/08/69/641020869.db2.gz MEDRRSLBVYGAJM-JTQLQIEISA-N 1 0 249.314 0.806 10 0 BCAERO C[C@@H](NC(=O)[C@@H]1CC[NH2+]C1)[C@H]1CCCO1 ZINC000062112852 641021405 /nfs/dbraw/zinc/02/14/05/641021405.db2.gz ZQYSGDDMOQARKB-OPRDCNLKSA-N 1 0 212.293 0.280 10 0 BCAERO C(c1noc([C@H]2CC[NH2+]C2)n1)[C@H]1CCCO1 ZINC000062119544 641023255 /nfs/dbraw/zinc/02/32/55/641023255.db2.gz AUJFZHVITXFQTD-DTWKUNHWSA-N 1 0 223.276 0.868 10 0 BCAERO CO[C@@H]1CN(C(=O)[C@H]2CCC[NH2+]C2)CC[C@@H]1C ZINC000230243835 641042168 /nfs/dbraw/zinc/04/21/68/641042168.db2.gz IXBRPWKTYXFKMA-SDDRHHMPSA-N 1 0 240.347 0.869 10 0 BCAERO COc1ncc(Cl)c(N(C)C[C@@H](C)[NH3+])n1 ZINC000087799842 641049625 /nfs/dbraw/zinc/04/96/25/641049625.db2.gz NJFJWDJIZJOECZ-ZCFIWIBFSA-N 1 0 230.699 0.922 10 0 BCAERO CCc1c(C)nn(CC[C@H]([NH3+])C(N)=O)c1C ZINC000062536744 641059984 /nfs/dbraw/zinc/05/99/84/641059984.db2.gz IUIXERCZTWGYPN-JTQLQIEISA-N 1 0 224.308 0.265 10 0 BCAERO COC1CC(Nc2cc(C)[nH+]c(N)n2)C1 ZINC000230596282 641071058 /nfs/dbraw/zinc/07/10/58/641071058.db2.gz HGXWASQJFHCBOR-UHFFFAOYSA-N 1 0 208.265 0.957 10 0 BCAERO COCc1nc(C[C@H]2CCC[NH2+]C2)no1 ZINC000063084703 641127021 /nfs/dbraw/zinc/12/70/21/641127021.db2.gz IXGXKCBSJWKGFL-MRVPVSSYSA-N 1 0 211.265 0.758 10 0 BCAERO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)[C@@H]1CCOC1 ZINC000063192579 641142848 /nfs/dbraw/zinc/14/28/48/641142848.db2.gz HJGQWVULIMEUCK-GMTAPVOTSA-N 1 0 226.320 0.751 10 0 BCAERO CS(=O)(=O)CC[NH2+][C@H]1CCCC[C@@H]1CO ZINC000231311144 641154500 /nfs/dbraw/zinc/15/45/00/641154500.db2.gz BBAZYBVSHKBPLR-ZJUUUORDSA-N 1 0 235.349 0.172 10 0 BCAERO CC[NH2+]CC(=O)N[C@@H](C)c1ncc(C)o1 ZINC000231744662 641200609 /nfs/dbraw/zinc/20/06/09/641200609.db2.gz KXYRGUVTPXRXRY-QMMMGPOBSA-N 1 0 211.265 0.770 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N[C@@H](C)c1cccs1 ZINC000088002834 641223713 /nfs/dbraw/zinc/22/37/13/641223713.db2.gz HBWBNDQVZFRIIX-JGVFFNPUSA-N 1 0 228.317 0.899 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N[C@@H](C)C1CCCC1 ZINC000088004497 641223971 /nfs/dbraw/zinc/22/39/71/641223971.db2.gz SFYQEMJEZVHYBZ-WCBMZHEXSA-N 1 0 214.309 0.655 10 0 BCAERO CC(C)C[C@@H](O)CNC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000232621137 641306955 /nfs/dbraw/zinc/30/69/55/641306955.db2.gz GIWOSWCEMSZHSI-GMTAPVOTSA-N 1 0 228.336 0.365 10 0 BCAERO CC(C)C[C@H](O)CNC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000232631310 641309177 /nfs/dbraw/zinc/30/91/77/641309177.db2.gz GIWOSWCEMSZHSI-OUAUKWLOSA-N 1 0 228.336 0.365 10 0 BCAERO CC(C)(CO)[NH2+]CCn1cc(Cl)cn1 ZINC000312885724 641519259 /nfs/dbraw/zinc/51/92/59/641519259.db2.gz AQMGBRHHFBJFSE-UHFFFAOYSA-N 1 0 217.700 0.897 10 0 BCAERO CCONC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000156371083 641604548 /nfs/dbraw/zinc/60/45/48/641604548.db2.gz HDNBVLRYEXXDNS-UWVGGRQHSA-N 1 0 229.324 0.966 10 0 BCAERO CCC[NH2+][C@](C)(CCn1cccn1)C(N)=O ZINC000045435256 641613168 /nfs/dbraw/zinc/61/31/68/641613168.db2.gz LXPWKVFDYWFRLM-LLVKDONJSA-N 1 0 224.308 0.517 10 0 BCAERO CO[C@H]1C[NH2+][C@@H](C(=O)NCC(C)(C)SC)C1 ZINC000159148238 641668006 /nfs/dbraw/zinc/66/80/06/641668006.db2.gz MMVGVMLCGVYUSY-RKDXNWHRSA-N 1 0 246.376 0.621 10 0 BCAERO C[NH2+][C@H](C)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000048775784 641701671 /nfs/dbraw/zinc/70/16/71/641701671.db2.gz AOSALQVCYMYMKT-ZCFIWIBFSA-N 1 0 234.259 0.403 10 0 BCAERO COC(=O)[C@@H]1C[N@H+](Cc2ccno2)C[C@@H]1C ZINC000227751838 641740024 /nfs/dbraw/zinc/74/00/24/641740024.db2.gz JTWHFWDSQKNGTD-WCBMZHEXSA-N 1 0 224.260 0.916 10 0 BCAERO CC(=O)OC1CC[NH+](CC(C)(C)O)CC1 ZINC000153398007 641776582 /nfs/dbraw/zinc/77/65/82/641776582.db2.gz LPFISRIAIVHGGV-UHFFFAOYSA-N 1 0 215.293 0.785 10 0 BCAERO CC(C)(C)[C@H](O)CNC(=O)[C@H]([NH3+])CC1CC1 ZINC000324381333 641789199 /nfs/dbraw/zinc/78/91/99/641789199.db2.gz WNCVLVZAOFBBKP-NXEZZACHSA-N 1 0 228.336 0.637 10 0 BCAERO CCC(=O)CC[N@@H+]1CCC[C@@H](NC(C)=O)C1 ZINC000190191231 641850912 /nfs/dbraw/zinc/85/09/12/641850912.db2.gz IEOYQNAYYMWULM-LLVKDONJSA-N 1 0 226.320 0.956 10 0 BCAERO CC(C)(C)[C@@H](O)C[NH2+]Cc1cnccn1 ZINC000324454427 641874904 /nfs/dbraw/zinc/87/49/04/641874904.db2.gz WOVNQYDXSJOBNU-JTQLQIEISA-N 1 0 209.293 0.973 10 0 BCAERO C[C@H]1CN(C(=O)C(F)(F)F)C[C@@H]1[NH+](C)C ZINC000089710305 642007541 /nfs/dbraw/zinc/00/75/41/642007541.db2.gz AVECGLLHUZIEER-BQBZGAKWSA-N 1 0 224.226 0.957 10 0 BCAERO CN(CC[NH3+])c1nccc(-c2ccnn2C)n1 ZINC000234286802 642355077 /nfs/dbraw/zinc/35/50/77/642355077.db2.gz CHIQDOFOBFCYQR-UHFFFAOYSA-N 1 0 232.291 0.272 10 0 BCAERO CC[C@@](C)(O)C[N@@H+]1CCN(C)[C@H](C)C1 ZINC000253213180 642633089 /nfs/dbraw/zinc/63/30/89/642633089.db2.gz BXXBWAOLZFAVOT-GHMZBOCLSA-N 1 0 200.326 0.783 10 0 BCAERO CCC[C@@H]1C[C@@H]1NC(=O)[C@@H]([NH3+])CCOC ZINC000233303567 642657193 /nfs/dbraw/zinc/65/71/93/642657193.db2.gz VVMJRFIGZPWJQK-UTLUCORTSA-N 1 0 214.309 0.655 10 0 BCAERO CCN(CC)C(=O)CN1C[C@H]([NH3+])[C@@H](C)C1 ZINC000233444184 642672068 /nfs/dbraw/zinc/67/20/68/642672068.db2.gz DTEQFCYRBUCLOS-UWVGGRQHSA-N 1 0 213.325 0.134 10 0 BCAERO CCOC(=O)[C@H](CC)N1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000233694038 642687964 /nfs/dbraw/zinc/68/79/64/642687964.db2.gz LVPCTZQZROGXNN-UTLUCORTSA-N 1 0 214.309 0.607 10 0 BCAERO CO[C@H](C)CC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170863873 642746090 /nfs/dbraw/zinc/74/60/90/642746090.db2.gz NZJPEOCBLHLPDH-ZJUUUORDSA-N 1 0 214.309 0.574 10 0 BCAERO NC(=O)[C@@H]([NH3+])CCOCc1ccccc1 ZINC000238566726 642820274 /nfs/dbraw/zinc/82/02/74/642820274.db2.gz IULAGDDXCPQQEC-JTQLQIEISA-N 1 0 208.261 0.406 10 0 BCAERO [NH3+][C@@H](CO)C(=O)NCC1CCCCC1 ZINC000238579293 642820328 /nfs/dbraw/zinc/82/03/28/642820328.db2.gz WTYZSUPXORHQGD-VIFPVBQESA-N 1 0 200.282 0.003 10 0 BCAERO CCOC(=O)[C@H]1C[NH2+]C[C@@H]1c1ccccn1 ZINC000080601890 642847892 /nfs/dbraw/zinc/84/78/92/642847892.db2.gz UXWYDCAPQPYWIH-UWVGGRQHSA-N 1 0 220.272 0.948 10 0 BCAERO C[C@@H]1COCCN1C(=O)CCC(C)(C)[NH3+] ZINC000069633643 642887904 /nfs/dbraw/zinc/88/79/04/642887904.db2.gz HDTTYAKWVWSHHC-SECBINFHSA-N 1 0 214.309 0.751 10 0 BCAERO CCN(C[C@H](O)COC(C)C)[C@@H]1CC[NH2+]C1 ZINC000069661009 642893139 /nfs/dbraw/zinc/89/31/39/642893139.db2.gz KIUVOZAYNZTOPS-NEPJUHHUSA-N 1 0 230.352 0.456 10 0 BCAERO COC(=O)/C(C)=C\C[N@@H+]1CC[C@H](CCO)C1 ZINC000253193748 642943472 /nfs/dbraw/zinc/94/34/72/642943472.db2.gz PCHYMHLWMGDTAF-LBQOUHFTSA-N 1 0 227.304 0.810 10 0 BCAERO C[NH2+]CCc1noc(CCSC)n1 ZINC000070004934 642948948 /nfs/dbraw/zinc/94/89/48/642948948.db2.gz YRNCHUQNFZBEJQ-UHFFFAOYSA-N 1 0 201.295 0.737 10 0 BCAERO CC[C@@H]([NH3+])C(=O)N[C@H]1COc2ccccc21 ZINC000070069110 642965188 /nfs/dbraw/zinc/96/51/88/642965188.db2.gz XXNWBVGYWVYDOF-ZJUUUORDSA-N 1 0 220.272 0.974 10 0 BCAERO O=C(C[NH2+]C1CC1)N[C@@H]1COc2ccccc21 ZINC000070530577 643034931 /nfs/dbraw/zinc/03/49/31/643034931.db2.gz DRQNZALLNDUVNK-LLVKDONJSA-N 1 0 232.283 0.988 10 0 BCAERO CC(=O)[C@H]1CCC[N@@H+]([C@@H]2CCN(C)C2=O)C1 ZINC000070583558 643042242 /nfs/dbraw/zinc/04/22/42/643042242.db2.gz KBSKCRNYXHKUGH-WDEREUQCSA-N 1 0 224.304 0.518 10 0 BCAERO CCOc1cncc(N2CCC[C@H]2C[NH3+])n1 ZINC000070580284 643043420 /nfs/dbraw/zinc/04/34/20/643043420.db2.gz YFVPOVCQIDLFDW-VIFPVBQESA-N 1 0 222.292 0.803 10 0 BCAERO CCC[NH2+][C@H](CCn1ccc(C)n1)C(N)=O ZINC000070686541 643059091 /nfs/dbraw/zinc/05/90/91/643059091.db2.gz ZZQHKCADJYOCOU-SNVBAGLBSA-N 1 0 224.308 0.435 10 0 BCAERO CCC[NH2+][C@H](CCn1nccc1C)C(N)=O ZINC000070687016 643060289 /nfs/dbraw/zinc/06/02/89/643060289.db2.gz HLZWDQLJZKFVFW-SNVBAGLBSA-N 1 0 224.308 0.435 10 0 BCAERO CC[NH2+][C@@](C)(CCn1nccc1C)C(N)=O ZINC000070687029 643060519 /nfs/dbraw/zinc/06/05/19/643060519.db2.gz XVNLPYFMZFZVLF-NSHDSACASA-N 1 0 224.308 0.435 10 0 BCAERO CCC[NH2+][C@@H](CCn1nccc1C)C(N)=O ZINC000070687013 643060967 /nfs/dbraw/zinc/06/09/67/643060967.db2.gz HLZWDQLJZKFVFW-JTQLQIEISA-N 1 0 224.308 0.435 10 0 BCAERO CCC[NH2+][C@H](Cn1cc(Cl)c(C)n1)C(N)=O ZINC000070704261 643062954 /nfs/dbraw/zinc/06/29/54/643062954.db2.gz OIJLABLEPBRIFZ-SECBINFHSA-N 1 0 244.726 0.698 10 0 BCAERO CCC[NH2+][C@@H](Cn1cc(Cl)c(C)n1)C(N)=O ZINC000070704259 643063037 /nfs/dbraw/zinc/06/30/37/643063037.db2.gz OIJLABLEPBRIFZ-VIFPVBQESA-N 1 0 244.726 0.698 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@H]1NS(=O)(=O)C1CC1 ZINC000070907009 643082358 /nfs/dbraw/zinc/08/23/58/643082358.db2.gz FTMUCNRWCNSGPQ-IONNQARKSA-N 1 0 218.322 0.196 10 0 BCAERO COCc1cc(-c2nc([C@@H](C)C[NH3+])no2)no1 ZINC000090254671 643085965 /nfs/dbraw/zinc/08/59/65/643085965.db2.gz UTTQVMLAHNSBPH-LURJTMIESA-N 1 0 238.247 0.933 10 0 BCAERO CC(C)[C@@H]([NH3+])Cc1nc(-c2nc[nH]n2)no1 ZINC000071000754 643093967 /nfs/dbraw/zinc/09/39/67/643093967.db2.gz AJURTGORKXIFRC-LURJTMIESA-N 1 0 222.252 0.381 10 0 BCAERO CCN(c1ncnc2c1cnn2C)[C@@H]1CC[NH2+]C1 ZINC000071314330 643125352 /nfs/dbraw/zinc/12/53/52/643125352.db2.gz BUIMWQRUCJTTIR-SECBINFHSA-N 1 0 246.318 0.552 10 0 BCAERO CCOCCCC(=O)NC[C@@H](C)[NH2+]C ZINC000233732335 643242867 /nfs/dbraw/zinc/24/28/67/643242867.db2.gz GPSRARRDDBPJEM-SECBINFHSA-N 1 0 202.298 0.527 10 0 BCAERO CCCN(CC)S(=O)(=O)C[C@@H]([NH3+])C1CC1 ZINC000757149489 643336679 /nfs/dbraw/zinc/33/66/79/643336679.db2.gz CTROIQFHMVULRT-SNVBAGLBSA-N 1 0 234.365 0.785 10 0 BCAERO Cc1nccn1CCCN1CC[C@@H]1C[NH3+] ZINC000757152249 643342711 /nfs/dbraw/zinc/34/27/11/643342711.db2.gz ZTMRBNAZEOGOEN-LLVKDONJSA-N 1 0 208.309 0.615 10 0 BCAERO O=C1NCCC[C@H]1[NH2+]C[C@H]1CCCOC1 ZINC000082584664 643345369 /nfs/dbraw/zinc/34/53/69/643345369.db2.gz QHFYZLLOXCAFCH-NXEZZACHSA-N 1 0 212.293 0.281 10 0 BCAERO CC[C@H](C)[C@@H]([NH3+])CS(=O)(=O)N(C)CC ZINC000757154484 643346514 /nfs/dbraw/zinc/34/65/14/643346514.db2.gz ZWPQUVJBCPYABC-IUCAKERBSA-N 1 0 222.354 0.641 10 0 BCAERO C[C@@H]([NH3+])CN(C)c1ccccc1S(C)(=O)=O ZINC000082592618 643351046 /nfs/dbraw/zinc/35/10/46/643351046.db2.gz FCRIGCDXISBEIZ-SECBINFHSA-N 1 0 242.344 0.874 10 0 BCAERO COC(=O)C[C@H]([NH3+])Cc1nccs1 ZINC000757171251 643354365 /nfs/dbraw/zinc/35/43/65/643354365.db2.gz QUQUBPHGWBGHRS-ZCFIWIBFSA-N 1 0 200.263 0.576 10 0 BCAERO O=C(NCc1cscn1)[C@H]1CCC[NH2+]C1 ZINC000082626655 643355631 /nfs/dbraw/zinc/35/56/31/643355631.db2.gz HJGSSQRNWDRXHT-QMMMGPOBSA-N 1 0 225.317 0.759 10 0 BCAERO O=C([O-])[C@H]1C[NH2+]CC12C[C@H]1CC[C@@H](C2)[NH2+]1 ZINC000757183738 643359966 /nfs/dbraw/zinc/35/99/66/643359966.db2.gz GEMWNRWLBBIDSV-OCKNEMTGSA-N 1 0 210.277 0.191 10 0 BCAERO CC(=O)[C@@H]1CCC[N@@H+](CCC(=O)N(C)C)C1 ZINC000082644537 643360432 /nfs/dbraw/zinc/36/04/32/643360432.db2.gz RFMXVLNQINPSDQ-LLVKDONJSA-N 1 0 226.320 0.766 10 0 BCAERO COC(=O)[C@@H](C[NH3+])C1CCC2(CC1)OCCO2 ZINC000757190729 643362997 /nfs/dbraw/zinc/36/29/97/643362997.db2.gz CNRXSNPFYOXEPK-JTQLQIEISA-N 1 0 243.303 0.668 10 0 BCAERO C[C@H]1COCCN1C(=O)CC(C)(C)[NH3+] ZINC000082771847 643378639 /nfs/dbraw/zinc/37/86/39/643378639.db2.gz JQFFFKRLXMUGII-QMMMGPOBSA-N 1 0 200.282 0.361 10 0 BCAERO C[NH2+][C@](C)(C[C@H](C)n1ccnc1C)C(N)=O ZINC000082800225 643382405 /nfs/dbraw/zinc/38/24/05/643382405.db2.gz YCTJIUDWRCLFBC-GZMMTYOYSA-N 1 0 224.308 0.606 10 0 BCAERO C[NH2+][C@@](C)(C[C@@H](C)n1cc(C)cn1)C(N)=O ZINC000082800508 643382671 /nfs/dbraw/zinc/38/26/71/643382671.db2.gz MPQWNJVONKWLRI-KOLCDFICSA-N 1 0 224.308 0.606 10 0 BCAERO CCOC(=O)[C@](C)([NH3+])C[C@H](C)n1cncn1 ZINC000082800465 643382917 /nfs/dbraw/zinc/38/29/17/643382917.db2.gz GDTNPLIUQLUQGZ-WCBMZHEXSA-N 1 0 226.280 0.510 10 0 BCAERO C[C@]1(C(=O)N[C@@H]2CCCOC2)CCC[NH2+]C1 ZINC000071023487 643411046 /nfs/dbraw/zinc/41/10/46/643411046.db2.gz AWQKZLPPAXRJTC-PWSUYJOCSA-N 1 0 226.320 0.671 10 0 BCAERO COC(=O)CC[N@@H+]1CCC[C@H](C(C)=O)C1 ZINC000068959535 643436907 /nfs/dbraw/zinc/43/69/07/643436907.db2.gz TYCIPNNEDJDQHU-JTQLQIEISA-N 1 0 213.277 0.851 10 0 BCAERO CN(C[C@H]1CCCO1)C(=O)c1coc(C[NH3+])c1 ZINC000187330218 643447836 /nfs/dbraw/zinc/44/78/36/643447836.db2.gz UUWFRVJAWPOWET-SNVBAGLBSA-N 1 0 238.287 0.989 10 0 BCAERO C[NH2+][C@@](C)(CCn1cc(Cl)c(C)n1)C(N)=O ZINC000070704302 643465804 /nfs/dbraw/zinc/46/58/04/643465804.db2.gz XQGICCFJAVQDSQ-JTQLQIEISA-N 1 0 244.726 0.698 10 0 BCAERO Cc1ccccc1[C@H](C)[NH2+]C[C@@H](O)CO ZINC000078430097 643480957 /nfs/dbraw/zinc/48/09/57/643480957.db2.gz QDTMSXJRCSGTOM-WDEREUQCSA-N 1 0 209.289 0.999 10 0 BCAERO CCCn1cc(NC(=O)[C@@H]2CC[NH2+]C2)cn1 ZINC000160339697 643488505 /nfs/dbraw/zinc/48/85/05/643488505.db2.gz RNIFOPLRWQFLES-SECBINFHSA-N 1 0 222.292 0.841 10 0 BCAERO C[NH2+][C@](C)(C[C@@H](C)n1ccc(C)n1)C(N)=O ZINC000082800594 643525566 /nfs/dbraw/zinc/52/55/66/643525566.db2.gz DSFDMMKIGXYZPH-MWLCHTKSSA-N 1 0 224.308 0.606 10 0 BCAERO CCc1nsc(N(C)C[C@@H](C)[NH3+])n1 ZINC000083675764 643541714 /nfs/dbraw/zinc/54/17/14/643541714.db2.gz LOHWKWOSJFETSZ-ZCFIWIBFSA-N 1 0 200.311 0.884 10 0 BCAERO [NH3+]C1CC(CNC(=O)c2ccncc2)C1 ZINC000084446758 643557810 /nfs/dbraw/zinc/55/78/10/643557810.db2.gz FGOONRMPCDRNDL-UHFFFAOYSA-N 1 0 205.261 0.549 10 0 BCAERO [NH3+][C@H]1CCCN(C(=O)C[C@@H]2CCCO2)C1 ZINC000083524422 643582727 /nfs/dbraw/zinc/58/27/27/643582727.db2.gz PZJXGQDSUKADMQ-UWVGGRQHSA-N 1 0 212.293 0.505 10 0 BCAERO C[C@@H](C[NH3+])c1noc(C[C@@H]2CCCO2)n1 ZINC000083525240 643584750 /nfs/dbraw/zinc/58/47/50/643584750.db2.gz VYVDLLGICVAGNX-YUMQZZPRSA-N 1 0 211.265 0.853 10 0 BCAERO COc1cc(NCC2CC([NH3+])C2)ncn1 ZINC000085482429 643617249 /nfs/dbraw/zinc/61/72/49/643617249.db2.gz DQRQTBMGFQVEMS-UHFFFAOYSA-N 1 0 208.265 0.634 10 0 BCAERO CC[NH2+][C@@]1(C(N)=O)CC[C@H](n2cccn2)C1 ZINC000086626726 643636304 /nfs/dbraw/zinc/63/63/04/643636304.db2.gz AVTOSWQUASJRKP-ONGXEEELSA-N 1 0 222.292 0.442 10 0 BCAERO CCOC(=O)[C@@]1([NH3+])CC[C@H](n2ccnc2)C1 ZINC000086626613 643636369 /nfs/dbraw/zinc/63/63/69/643636369.db2.gz QWSPGTLLRSYGDJ-GXSJLCMTSA-N 1 0 223.276 0.869 10 0 BCAERO [NH3+]CCCCCC(=O)NC[C@H]1CCC[C@H]1O ZINC000084238819 643654007 /nfs/dbraw/zinc/65/40/07/643654007.db2.gz GECOHLBMYWKLAM-GHMZBOCLSA-N 1 0 228.336 0.783 10 0 BCAERO CCOCCNC(=O)[C@H]1CCCC[C@@H]1C[NH3+] ZINC000084301953 643656479 /nfs/dbraw/zinc/65/64/79/643656479.db2.gz SJBKEARXQBBTJT-MNOVXSKESA-N 1 0 228.336 0.904 10 0 BCAERO CCOCCCC(=O)NCC1CC([NH3+])C1 ZINC000087438884 643659293 /nfs/dbraw/zinc/65/92/93/643659293.db2.gz WZAMMOXEVTVZFV-UHFFFAOYSA-N 1 0 214.309 0.657 10 0 BCAERO COC(=O)[C@H]1C[N@H+](CCCO)C[C@H]1C ZINC000087400412 643659528 /nfs/dbraw/zinc/65/95/28/643659528.db2.gz FEIFCWLALAHBEG-BDAKNGLRSA-N 1 0 201.266 0.110 10 0 BCAERO [NH3+]C[C@H]1CCC[C@H]1NS(=O)(=O)CC1CC1 ZINC000084888954 643676198 /nfs/dbraw/zinc/67/61/98/643676198.db2.gz VFZPWPDKJNVHSV-NXEZZACHSA-N 1 0 232.349 0.443 10 0 BCAERO CCOC(=O)[C@H](C)NC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000085012185 643678783 /nfs/dbraw/zinc/67/87/83/643678783.db2.gz SNHHAHYBQULYQA-YIZRAAEISA-N 1 0 228.292 0.182 10 0 BCAERO O=C1NCCC[C@H]1[NH2+]C[C@H]1CCC=CO1 ZINC000050395431 643697282 /nfs/dbraw/zinc/69/72/82/643697282.db2.gz QNLBCCHYGZZYGH-NXEZZACHSA-N 1 0 210.277 0.547 10 0 BCAERO c1ccc2c(c1)C[C@@H](COC1C[NH2+]C1)O2 ZINC000085537577 643757931 /nfs/dbraw/zinc/75/79/31/643757931.db2.gz QUKFHEVBAFVVFQ-JTQLQIEISA-N 1 0 205.257 0.979 10 0 BCAERO CCCc1noc(C[C@@H]2C[NH2+]CCO2)n1 ZINC000085617343 643763761 /nfs/dbraw/zinc/76/37/61/643763761.db2.gz NSCXTELYYWRISH-MRVPVSSYSA-N 1 0 211.265 0.553 10 0 BCAERO CCC(CC)(CO)CN[C@@H]1CC[NH2+]C1 ZINC000230209478 643766748 /nfs/dbraw/zinc/76/67/48/643766748.db2.gz UDWQSZZITNLAHI-SNVBAGLBSA-N 1 0 200.326 0.737 10 0 BCAERO CCCCS(=O)(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000085727643 643790379 /nfs/dbraw/zinc/79/03/79/643790379.db2.gz DPILKTIRDAYLLY-UWVGGRQHSA-N 1 0 234.365 0.846 10 0 BCAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)C1CCOCC1 ZINC000085727091 643791333 /nfs/dbraw/zinc/79/13/33/643791333.db2.gz MZWCXEKDOUVBSQ-GXSJLCMTSA-N 1 0 226.320 0.670 10 0 BCAERO O=C(C[NH2+]CC1CC1)NC[C@H]1CCCC[C@@H]1O ZINC000085986902 643876730 /nfs/dbraw/zinc/87/67/30/643876730.db2.gz PENRVFQLYFAVFF-NEPJUHHUSA-N 1 0 240.347 0.653 10 0 BCAERO C[NH2+]C[C@@H](C)C(=O)N1CCOC[C@H]1C ZINC000086065807 643897114 /nfs/dbraw/zinc/89/71/14/643897114.db2.gz SFIYFCSQWNDHLJ-RKDXNWHRSA-N 1 0 200.282 0.089 10 0 BCAERO C[C@H](O)C1CCN(C(=O)[C@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000226332410 644144367 /nfs/dbraw/zinc/14/43/67/644144367.db2.gz DXAMFMWQQNHQIL-ZMLRMANQSA-N 1 0 240.347 0.733 10 0 BCAERO COC(=O)[C@@]1([NH3+])CCC[C@@H](n2cccn2)C1 ZINC000086604672 644155583 /nfs/dbraw/zinc/15/55/83/644155583.db2.gz GDQMGFVBNJLYAM-MWLCHTKSSA-N 1 0 223.276 0.869 10 0 BCAERO NC(=O)[C@@]1([NH3+])CCC[C@@H](n2cc(Cl)cn2)C1 ZINC000086604709 644156065 /nfs/dbraw/zinc/15/60/65/644156065.db2.gz VGFIFXJEQPDHSS-PSASIEDQSA-N 1 0 242.710 0.834 10 0 BCAERO CC[NH2+][C@@]1(C(N)=O)CC[C@H](n2ccnc2)C1 ZINC000086626565 644156130 /nfs/dbraw/zinc/15/61/30/644156130.db2.gz YRAYZJDGHIFMQB-ONGXEEELSA-N 1 0 222.292 0.442 10 0 BCAERO COC(=O)[C@@]1([NH3+])CC[C@H](n2ccnc2C)C1 ZINC000086626662 644156496 /nfs/dbraw/zinc/15/64/96/644156496.db2.gz PBNNCXJXHZMBSN-GXSJLCMTSA-N 1 0 223.276 0.787 10 0 BCAERO COC(=O)[C@]1([NH3+])CC[C@@H](n2ccnc2C)C1 ZINC000086626664 644156742 /nfs/dbraw/zinc/15/67/42/644156742.db2.gz PBNNCXJXHZMBSN-KOLCDFICSA-N 1 0 223.276 0.787 10 0 BCAERO C[NH2+][C@]1(C(N)=O)CC[C@@H](n2ccnc2C)C1 ZINC000086626645 644156811 /nfs/dbraw/zinc/15/68/11/644156811.db2.gz ORSUYEPSJKXSIW-MWLCHTKSSA-N 1 0 222.292 0.360 10 0 BCAERO C[NH2+]C[C@@H]1CCCCN1c1nccn2cnnc12 ZINC000079471274 644183655 /nfs/dbraw/zinc/18/36/55/644183655.db2.gz ODPQTQUNNQKPJZ-JTQLQIEISA-N 1 0 246.318 0.703 10 0 BCAERO C[NH+](C)[C@@H]1CCN(C(=O)C[C@H]2CCCOC2)C1 ZINC000193137799 644216163 /nfs/dbraw/zinc/21/61/63/644216163.db2.gz XIYVCYFVZCUKHJ-VXGBXAGGSA-N 1 0 240.347 0.966 10 0 BCAERO COC[C@@H](C)C(=O)NC1(C)CC[NH2+]CC1 ZINC000193390617 644236953 /nfs/dbraw/zinc/23/69/53/644236953.db2.gz GHKABEXOEMPFAN-SECBINFHSA-N 1 0 214.309 0.527 10 0 BCAERO CO[C@H](C)CC(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000193555204 644252898 /nfs/dbraw/zinc/25/28/98/644252898.db2.gz MELUBJXJFXPQEC-UTLUCORTSA-N 1 0 214.309 0.668 10 0 BCAERO Cc1cc(N2CCC[C@@H]2CO)nc(N)[nH+]1 ZINC000082060656 644354323 /nfs/dbraw/zinc/35/43/23/644354323.db2.gz LCYMPMDNPJFLNG-MRVPVSSYSA-N 1 0 208.265 0.328 10 0 BCAERO C[NH2+]CC(=O)N[C@H](C)c1csc(C)n1 ZINC000083884080 644410705 /nfs/dbraw/zinc/41/07/05/644410705.db2.gz FXGHBVIRZNRMLC-ZCFIWIBFSA-N 1 0 213.306 0.848 10 0 BCAERO CN(C)[C@@H](CN[C@@H]1CC[NH2+]C1)c1ccco1 ZINC000086725091 644468855 /nfs/dbraw/zinc/46/88/55/644468855.db2.gz VJDYEUTXNJSGBE-MNOVXSKESA-N 1 0 223.320 0.834 10 0 BCAERO Oc1ccc(CCN[C@@H]2CC[NH2+]C2)cc1 ZINC000086729173 644471939 /nfs/dbraw/zinc/47/19/39/644471939.db2.gz PNSSKDFFLNVQCF-LLVKDONJSA-N 1 0 206.289 0.886 10 0 BCAERO O[C@@H](CN1CC[N@@H+]2CCC[C@@H]2C1)C1CC1 ZINC000086933270 644473531 /nfs/dbraw/zinc/47/35/31/644473531.db2.gz QSZHYSKDHJIFST-NEPJUHHUSA-N 1 0 210.321 0.537 10 0 BCAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)Nc1ccnn1C ZINC000087122722 644477533 /nfs/dbraw/zinc/47/75/33/644477533.db2.gz XWCZUTBPLKVFHO-IUCAKERBSA-N 1 0 222.292 0.747 10 0 BCAERO CC(C)(C)c1noc(C[C@@H]2COCC[NH2+]2)n1 ZINC000087506919 644496568 /nfs/dbraw/zinc/49/65/68/644496568.db2.gz PJIXPKVVVUOQHV-MRVPVSSYSA-N 1 0 225.292 0.898 10 0 BCAERO OC[C@@H](O)C[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000088318274 644518319 /nfs/dbraw/zinc/51/83/19/644518319.db2.gz CORQDPHUQMEECM-IYBFBTBFSA-N 1 0 225.332 0.754 10 0 BCAERO c1nnn([C@@H]2CC[NH2+]C2)c1-c1cccnn1 ZINC000685951889 644518546 /nfs/dbraw/zinc/51/85/46/644518546.db2.gz LHAXEZPJVNSQMJ-MRVPVSSYSA-N 1 0 216.248 0.270 10 0 BCAERO C(C1OCCO1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000245609953 644533014 /nfs/dbraw/zinc/53/30/14/644533014.db2.gz UZIINLDANIUFML-LLVKDONJSA-N 1 0 226.320 0.529 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)Cc1cccnc1 ZINC000089090954 644534490 /nfs/dbraw/zinc/53/44/90/644534490.db2.gz MGUCXSAOUFYNQC-RYUDHWBXSA-N 1 0 233.315 0.868 10 0 BCAERO [NH3+][C@@H]1CCC[C@@H](C(=O)NC[C@@H]2CCC[C@@H]2O)C1 ZINC000089170026 644537642 /nfs/dbraw/zinc/53/76/42/644537642.db2.gz SRYYGLUAFLGDLB-KXNHARMFSA-N 1 0 240.347 0.781 10 0 BCAERO CN1C(=O)CC[C@H]([NH2+]CCc2ccccc2)C1=O ZINC000090025496 644576301 /nfs/dbraw/zinc/57/63/01/644576301.db2.gz MTUWXJRYTQLKBA-LBPRGKRZSA-N 1 0 246.310 0.966 10 0 BCAERO CCONC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000247011599 644617845 /nfs/dbraw/zinc/61/78/45/644617845.db2.gz HDNBVLRYEXXDNS-NXEZZACHSA-N 1 0 229.324 0.966 10 0 BCAERO COC(=O)[C@H]1C[N@H+](CCCCO)C[C@H]1C ZINC000094996752 644737034 /nfs/dbraw/zinc/73/70/34/644737034.db2.gz DKILRIXTIHNJGR-ZJUUUORDSA-N 1 0 215.293 0.500 10 0 BCAERO COC(=O)[C@H]1C[N@H+](Cc2cnn(C)c2)C[C@H]1C ZINC000094996936 644737662 /nfs/dbraw/zinc/73/76/62/644737662.db2.gz UJKUZBKNCQFLPW-KOLCDFICSA-N 1 0 237.303 0.661 10 0 BCAERO CN(C)C(=O)c1ccc(NCC2CC([NH3+])C2)nc1 ZINC000095015179 644738111 /nfs/dbraw/zinc/73/81/11/644738111.db2.gz PYKMAVGSRNELHA-UHFFFAOYSA-N 1 0 248.330 0.933 10 0 BCAERO CCOC(=O)/C=C/CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000250149376 644747472 /nfs/dbraw/zinc/74/74/72/644747472.db2.gz WDWKKHAZKLAWAE-FUEXJSSKSA-N 1 0 238.331 0.886 10 0 BCAERO CC(=O)[C@@H]1CCC[N@@H+]([C@H]2CCN(C)C2=O)C1 ZINC000250519146 644761582 /nfs/dbraw/zinc/76/15/82/644761582.db2.gz KBSKCRNYXHKUGH-MNOVXSKESA-N 1 0 224.304 0.518 10 0 BCAERO C[C@H](C[NH3+])C(=O)N[C@@H](C)[C@H]1CCCO1 ZINC000251072359 644791481 /nfs/dbraw/zinc/79/14/81/644791481.db2.gz FSXXASCFHCGNQR-HRDYMLBCSA-N 1 0 200.282 0.265 10 0 BCAERO O[C@H](CN1CC[N@@H+]2CCC[C@H]2C1)C1CC1 ZINC000251387424 644802996 /nfs/dbraw/zinc/80/29/96/644802996.db2.gz QSZHYSKDHJIFST-NWDGAFQWSA-N 1 0 210.321 0.537 10 0 BCAERO [NH3+]C1CC(CNC(=O)[C@H]2[C@@H]3CCC[C@@H]32)C1 ZINC000251530095 644808111 /nfs/dbraw/zinc/80/81/11/644808111.db2.gz XMDPXKJKCLTWEZ-AUYFUSPOSA-N 1 0 208.305 0.886 10 0 BCAERO C[C@@H]1CN(C(=O)[C@H]2CCCC[C@H]2C[NH3+])CCO1 ZINC000251821715 644824669 /nfs/dbraw/zinc/82/46/69/644824669.db2.gz OZUANQXPFUPKCG-WOPDTQHZSA-N 1 0 240.347 0.999 10 0 BCAERO C[C@H](NC(=O)[C@H]([NH3+])CC1CC1)[C@@H]1CCCO1 ZINC000304297053 644887326 /nfs/dbraw/zinc/88/73/26/644887326.db2.gz ALBUBWSOUCJUML-GDPRMGEGSA-N 1 0 226.320 0.798 10 0 BCAERO [NH3+][C@@H](CC1CC1)C(=O)NCC[C@H]1CCCO1 ZINC000304299134 644889530 /nfs/dbraw/zinc/88/95/30/644889530.db2.gz AVMVIALETXYMOC-MNOVXSKESA-N 1 0 226.320 0.799 10 0 BCAERO [NH3+][C@H](CC1CC1)C(=O)NCC[C@H]1CCCO1 ZINC000304299131 644889963 /nfs/dbraw/zinc/88/99/63/644889963.db2.gz AVMVIALETXYMOC-GHMZBOCLSA-N 1 0 226.320 0.799 10 0 BCAERO COC(=O)[C@@H]1C[N@H+](C[C@H](C)CO)C[C@@H]1C ZINC000252728126 644891503 /nfs/dbraw/zinc/89/15/03/644891503.db2.gz ZUZNCZPTGWIKGK-LPEHRKFASA-N 1 0 215.293 0.356 10 0 BCAERO CCO[C@@H]1C[C@H]([NH2+]CC2CC(O)C2)[C@H]1OC ZINC000252794862 644907216 /nfs/dbraw/zinc/90/72/16/644907216.db2.gz ZNHSDIGVZDSKFW-JEDMMJBGSA-N 1 0 229.320 0.539 10 0 BCAERO COc1cc(N2CC[C@H](C)[C@H](C[NH3+])C2)ncn1 ZINC000253181178 644941535 /nfs/dbraw/zinc/94/15/35/644941535.db2.gz DYRJKZVTJBXJBY-VHSXEESVSA-N 1 0 236.319 0.906 10 0 BCAERO CC(C)OC(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000253172191 644941684 /nfs/dbraw/zinc/94/16/84/644941684.db2.gz JRGYTCYASRVPKC-QWRGUYRKSA-N 1 0 242.319 0.984 10 0 BCAERO CCCN(CC(=O)OC)C[C@H]1CCC[NH2+]C1 ZINC000220357498 645890492 /nfs/dbraw/zinc/89/04/92/645890492.db2.gz JTDHARLSHKMZDK-NSHDSACASA-N 1 0 228.336 0.871 10 0 BCAERO C[C@@H]([NH2+]C(C)(C)CO)C(=O)NC(C)(C)C ZINC000035115062 645935645 /nfs/dbraw/zinc/93/56/45/645935645.db2.gz QMHLWJRBIQGBHF-MRVPVSSYSA-N 1 0 216.325 0.650 10 0 BCAERO C[C@H]([NH2+]C(C)(C)CO)C(=O)NC(C)(C)C ZINC000035115060 645936277 /nfs/dbraw/zinc/93/62/77/645936277.db2.gz QMHLWJRBIQGBHF-QMMMGPOBSA-N 1 0 216.325 0.650 10 0 BCAERO CC[C@H](CO)[N@@H+]1CCC[C@H](NC(C)=O)C1 ZINC000929288154 646062380 /nfs/dbraw/zinc/06/23/80/646062380.db2.gz ZDQLWRDWKVVWKI-WDEREUQCSA-N 1 0 214.309 0.358 10 0 BCAERO C[C@H](O)[C@@H](O)C[N@@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000929980743 646385621 /nfs/dbraw/zinc/38/56/21/646385621.db2.gz LKCGSDOYRTZQIV-WCQGTBRESA-N 1 0 239.319 0.678 10 0 BCAERO C[C@@H]1CN(S(=O)(=O)c2ccns2)C[C@@H]1[NH3+] ZINC000717735554 711616446 /nfs/dbraw/zinc/61/64/46/711616446.db2.gz LHOOPEPEOSFXHK-RQJHMYQMSA-N 1 0 247.345 0.111 10 0 BCAERO O[C@@H]1CCCC[C@H]1[NH2+]CCO[C@H]1CCOC1 ZINC000724911227 711626659 /nfs/dbraw/zinc/62/66/59/711626659.db2.gz PKWAYXXOQHNZJX-QJPTWQEYSA-N 1 0 229.320 0.685 10 0 BCAERO Cc1nccc(N(C)C2(C[NH3+])CCOCC2)n1 ZINC000725022645 711643694 /nfs/dbraw/zinc/64/36/94/711643694.db2.gz PCLOARWXAUBIER-UHFFFAOYSA-N 1 0 236.319 0.729 10 0 BCAERO Cc1cc(N(C)C2(C[NH3+])CCOCC2)ncn1 ZINC000725021064 711643698 /nfs/dbraw/zinc/64/36/98/711643698.db2.gz FOZMUWOGEDXRMI-UHFFFAOYSA-N 1 0 236.319 0.729 10 0 BCAERO C[NH2+]CCc1noc(Cc2cccnc2)n1 ZINC000721371217 711645329 /nfs/dbraw/zinc/64/53/29/711645329.db2.gz IKOAWPCXQJZGPX-UHFFFAOYSA-N 1 0 218.260 0.817 10 0 BCAERO CC(C)C[C@H](O)CNC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000226119625 711830196 /nfs/dbraw/zinc/83/01/96/711830196.db2.gz ZSZLSYBCIVGSHD-RYUDHWBXSA-N 1 0 242.363 0.899 10 0 BCAERO CC[C@](C)(O)C[NH2+][C@@H]1COCCC1(OC)OC ZINC000705011214 711897603 /nfs/dbraw/zinc/89/76/03/711897603.db2.gz MMMNMQFGPIHEOF-MNOVXSKESA-N 1 0 247.335 0.515 10 0 BCAERO C[C@H]1[C@H]([NH3+])CCN1C(=O)c1cccc(F)n1 ZINC000701077072 712014263 /nfs/dbraw/zinc/01/42/63/712014263.db2.gz JVXOALPKKVDDSA-JGVFFNPUSA-N 1 0 223.251 0.782 10 0 BCAERO O=C(NC[C@H]1CC[NH2+]C1)c1cccc(F)n1 ZINC000701078372 712013959 /nfs/dbraw/zinc/01/39/59/712013959.db2.gz OBLRNHCKMNWWQG-QMMMGPOBSA-N 1 0 223.251 0.560 10 0 BCAERO CCC[C@H]([NH3+])C(=O)NCc1ncccn1 ZINC000702326148 712047198 /nfs/dbraw/zinc/04/71/98/712047198.db2.gz OGGUXTYTGAIQAY-QMMMGPOBSA-N 1 0 208.265 0.220 10 0 BCAERO C[C@H](C[C@@H]1CCOC1)[NH2+][C@H]1CCOC[C@@H]1O ZINC000706753845 712154072 /nfs/dbraw/zinc/15/40/72/712154072.db2.gz JGANVUHISJSECT-RHYQMDGZSA-N 1 0 229.320 0.541 10 0 BCAERO CC[C@@H]1COC[C@@H]1[NH2+][C@H]1CCOC[C@@H]1O ZINC000706788539 712155616 /nfs/dbraw/zinc/15/56/16/712155616.db2.gz IDPCLVSKQONHRZ-RCWTZXSCSA-N 1 0 215.293 0.151 10 0 BCAERO O[C@@H]1COCC[C@@H]1[NH2+]CC1(O)CCCCC1 ZINC000706922213 712160720 /nfs/dbraw/zinc/16/07/20/712160720.db2.gz OXFHUMMDCPKKJU-WDEREUQCSA-N 1 0 229.320 0.421 10 0 BCAERO C[C@@H](C[NH2+]C(C)(C)CO)CS(C)(=O)=O ZINC000707266524 712167848 /nfs/dbraw/zinc/16/78/48/712167848.db2.gz YWKFVCSJJJOYLP-QMMMGPOBSA-N 1 0 223.338 0.028 10 0 BCAERO CCOC(=O)/C=C\C[N@@H+]1C[C@@H](C)[C@H](CO)C1 ZINC000708807258 712199318 /nfs/dbraw/zinc/19/93/18/712199318.db2.gz ITXYNCJVBBYJKI-KWKBKKAHSA-N 1 0 227.304 0.666 10 0 BCAERO C[C@@H]1COCCN1C(=O)CCC1C[NH2+]C1 ZINC000709401188 712220847 /nfs/dbraw/zinc/22/08/47/712220847.db2.gz MQJATQWIQNNHNO-SECBINFHSA-N 1 0 212.293 0.233 10 0 BCAERO C[C@@H]1CN(c2cc[nH+]cc2CO)C[C@H]1CO ZINC000709325978 712219731 /nfs/dbraw/zinc/21/97/31/712219731.db2.gz NPEZVLGEIFSTHW-KOLCDFICSA-N 1 0 222.288 0.639 10 0 BCAERO C[C@@H](C[N@@H+]1CCC[C@@](O)(C(N)=O)C1)C(C)(C)C ZINC000710747903 712255628 /nfs/dbraw/zinc/25/56/28/712255628.db2.gz SRZYFKSIUONQRD-GWCFXTLKSA-N 1 0 242.363 0.981 10 0 BCAERO O[C@@H]1CCOC[C@H]1[NH2+]CCc1ccccc1 ZINC000710900468 712261895 /nfs/dbraw/zinc/26/18/95/712261895.db2.gz BSGCFPGXYWXKTQ-CHWSQXEVSA-N 1 0 221.300 0.969 10 0 BCAERO CCOC(CN(C)[C@H](C)C(N)=O)OCC ZINC000711140382 712285210 /nfs/dbraw/zinc/28/52/10/712285210.db2.gz YAQLDMCRPUJKEF-MRVPVSSYSA-N 1 0 218.297 0.191 10 0 BCAERO c1nnnn1CC[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000711808550 712329424 /nfs/dbraw/zinc/32/94/24/712329424.db2.gz FUBMPXPMFFZLMC-IVZWLZJFSA-N 1 0 207.281 0.451 10 0 BCAERO [NH3+][C@@H](CO)C(=O)NCCC1CCCCC1 ZINC000144481454 712391246 /nfs/dbraw/zinc/39/12/46/712391246.db2.gz XEPCSEMWNSTOPP-JTQLQIEISA-N 1 0 214.309 0.393 10 0 BCAERO CCCCOC[C@@H](O)CN(C)C[C@@H](C)[NH3+] ZINC000379775644 712398798 /nfs/dbraw/zinc/39/87/98/712398798.db2.gz CTUBVEGKVSCYTR-MNOVXSKESA-N 1 0 218.341 0.443 10 0 BCAERO CCCCOC[C@@H](O)C[NH2+]C[C@H]1CCN1CC ZINC000712581450 712433311 /nfs/dbraw/zinc/43/33/11/712433311.db2.gz VIRPYTWZJXBSAX-OLZOCXBDSA-N 1 0 244.379 0.848 10 0 BCAERO CC(C)[C@@H]([NH3+])C(C)(C)C(=O)N[C@@H]1CCNC1=O ZINC000713005823 712451112 /nfs/dbraw/zinc/45/11/12/712451112.db2.gz XWVUGKABXUFVSS-RKDXNWHRSA-N 1 0 241.335 0.001 10 0 BCAERO [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N[C@H]2CCCOC2)C1 ZINC000713238654 712455567 /nfs/dbraw/zinc/45/55/67/712455567.db2.gz GWOICSWFIDGXAO-MIZYBKAJSA-N 1 0 224.304 0.409 10 0 BCAERO [NH3+]C[C@@H]1C[C@@H](C(=O)NCc2ccsc2)CO1 ZINC000713901807 712472812 /nfs/dbraw/zinc/47/28/12/712472812.db2.gz LUWFNZHJSIPCJY-ZJUUUORDSA-N 1 0 240.328 0.728 10 0 BCAERO C[C@@H]1CCCN(C(=O)[C@@H]2CO[C@@H](C[NH3+])C2)C1 ZINC000713827864 712472863 /nfs/dbraw/zinc/47/28/63/712472863.db2.gz ZAILKBDMGCFLBG-OUAUKWLOSA-N 1 0 226.320 0.609 10 0 BCAERO CCCN(CC1CC1)C(=O)[C@H]1CO[C@H](C[NH3+])C1 ZINC000713914429 712473006 /nfs/dbraw/zinc/47/30/06/712473006.db2.gz XRAXPLQUZJPQDV-NEPJUHHUSA-N 1 0 240.347 0.999 10 0 BCAERO CCC(C)(C)NC(=O)[C@H]1CO[C@H](C[NH3+])C1 ZINC000713874608 712473241 /nfs/dbraw/zinc/47/32/41/712473241.db2.gz UADSLHQZXIMIKH-BDAKNGLRSA-N 1 0 214.309 0.655 10 0 BCAERO CC[C@H](C)NC(=O)[C@@H]1CO[C@@H](C[NH3+])C1 ZINC000713837072 712473347 /nfs/dbraw/zinc/47/33/47/712473347.db2.gz LKVYITXTYBSBGN-XHNCKOQMSA-N 1 0 200.282 0.265 10 0 BCAERO CCCCNC(=O)[C@@H]1CO[C@@H](C[NH3+])C1 ZINC000713838381 712473352 /nfs/dbraw/zinc/47/33/52/712473352.db2.gz RIALCESVIIOXGG-DTWKUNHWSA-N 1 0 200.282 0.267 10 0 BCAERO COCC1CC(NC(=O)[C@@H]2CC[NH2+]C2)C1 ZINC000713930081 712473533 /nfs/dbraw/zinc/47/35/33/712473533.db2.gz HDWNRVYHJMLPOZ-HWOCKDDLSA-N 1 0 212.293 0.137 10 0 BCAERO COCC1CC(NC(=O)C2([NH3+])CCCC2)C1 ZINC000713936028 712474227 /nfs/dbraw/zinc/47/42/27/712474227.db2.gz SQHSKCWABLWXRY-UHFFFAOYSA-N 1 0 226.320 0.799 10 0 BCAERO COCC1CC([NH2+][C@H](C)C[C@H]2COCCN2)C1 ZINC000713962545 712475219 /nfs/dbraw/zinc/47/52/19/712475219.db2.gz YSIPAXXAVMQKBK-XVSSEFHLSA-N 1 0 242.363 0.768 10 0 BCAERO CC1(C)CCC[C@H](C[N@@H+]2C[C@H](O)C[C@@H]2CO)O1 ZINC000714338022 712482667 /nfs/dbraw/zinc/48/26/67/712482667.db2.gz JMMZVLKCVWGRIJ-IJLUTSLNSA-N 1 0 243.347 0.762 10 0 BCAERO CCCn1cc(C[NH2+][C@@H](C)[C@@H](C)O)nn1 ZINC000714418354 712485685 /nfs/dbraw/zinc/48/56/85/712485685.db2.gz XGVPVVDTHLBVPJ-DTWKUNHWSA-N 1 0 212.297 0.547 10 0 BCAERO Cc1ncsc1C(=O)NCC1CC([NH3+])C1 ZINC000715080224 712506763 /nfs/dbraw/zinc/50/67/63/712506763.db2.gz AALHAWINBUGGBB-UHFFFAOYSA-N 1 0 225.317 0.919 10 0 BCAERO C[C@H](C(=O)NCC1CC([NH3+])C1)n1cccn1 ZINC000715080603 712507222 /nfs/dbraw/zinc/50/72/22/712507222.db2.gz GGABLPJMMSHJOV-XNWIYYODSA-N 1 0 222.292 0.298 10 0 BCAERO CC[N@@H+]1CCC[C@@H](N[C@H](C)c2cn(C)nn2)C1 ZINC000715896297 712540675 /nfs/dbraw/zinc/54/06/75/712540675.db2.gz YWJCTSUWFLKPJV-GHMZBOCLSA-N 1 0 237.351 0.950 10 0 BCAERO C[C@H]([NH2+][C@@H]1CCC[C@H](O)C1)c1cn(C)nn1 ZINC000715907500 712541663 /nfs/dbraw/zinc/54/16/63/712541663.db2.gz HEVJEKYSSUGZGJ-AEJSXWLSSA-N 1 0 224.308 0.769 10 0 BCAERO COC[C@H]([NH3+])C(=O)NCC[C@@H]1CCCS1 ZINC000716054126 712548820 /nfs/dbraw/zinc/54/88/20/712548820.db2.gz NMOBKMBSJASYNJ-IUCAKERBSA-N 1 0 232.349 0.362 10 0 BCAERO CC1(O)CCC([NH2+]C2CC(C(N)=O)C2)CC1 ZINC000716741450 712571869 /nfs/dbraw/zinc/57/18/69/712571869.db2.gz RBHAPYCDIWOSSI-UHFFFAOYSA-N 1 0 226.320 0.534 10 0 BCAERO CCn1nccc1C[NH2+]C1CC(C(N)=O)C1 ZINC000716759062 712572444 /nfs/dbraw/zinc/57/24/44/712572444.db2.gz FAPKJLPYHBUOSZ-UHFFFAOYSA-N 1 0 222.292 0.257 10 0 BCAERO CC(C)n1ncnc1C[NH2+]C1CC(C(N)=O)C1 ZINC000716759516 712572586 /nfs/dbraw/zinc/57/25/86/712572586.db2.gz ICHPQSIWKVHHIL-UHFFFAOYSA-N 1 0 237.307 0.213 10 0 BCAERO C[C@H]([NH2+]C1CC(C(N)=O)C1)c1nccn1C ZINC000716759490 712572592 /nfs/dbraw/zinc/57/25/92/712572592.db2.gz HVFHIIKAYNMNBR-UEJVZZJDSA-N 1 0 222.292 0.335 10 0 BCAERO C[C@@H]1C[C@H]([NH2+]C2CC(C(N)=O)C2)CCN1C ZINC000716762724 712572859 /nfs/dbraw/zinc/57/28/59/712572859.db2.gz ZLSMRIMDKKTLFK-BZCXBAJXSA-N 1 0 225.336 0.323 10 0 BCAERO NC(=O)C1CC([NH2+]C[C@@H](O)CC(F)(F)F)C1 ZINC000716744721 712572220 /nfs/dbraw/zinc/57/22/20/712572220.db2.gz GPFYSYNGUWRBBW-AHXFUIDQSA-N 1 0 240.225 0.153 10 0 BCAERO CCC[C@@](C)([NH3+])C(=O)N1CCOC[C@H]1C ZINC000037481454 712648253 /nfs/dbraw/zinc/64/82/53/712648253.db2.gz ZHHCKVOHXSKIHU-MWLCHTKSSA-N 1 0 214.309 0.751 10 0 BCAERO C[C@H]([NH3+])CC(=O)Nc1ccc(NC(N)=O)cc1 ZINC000037608508 712676297 /nfs/dbraw/zinc/67/62/97/712676297.db2.gz MHCHQJXZOGXGKU-ZETCQYMHSA-N 1 0 236.275 0.853 10 0 BCAERO O[C@@H]1CCC[C@H]1[N@@H+]1CC[C@H](C2OCCO2)C1 ZINC000719075897 712795706 /nfs/dbraw/zinc/79/57/06/712795706.db2.gz IIEJDFFNNQOOHG-HBNTYKKESA-N 1 0 227.304 0.595 10 0 BCAERO CO[C@@]1(C[NH2+]CC(C)(C)O)CCSC1 ZINC000719227249 712800841 /nfs/dbraw/zinc/80/08/41/712800841.db2.gz IDHHNEXMEJBHPC-SNVBAGLBSA-N 1 0 219.350 0.869 10 0 BCAERO CC(C)(O)[C@@H]1CCC[N@H+](C[C@@H]2CNC(=O)O2)C1 ZINC000719642275 712819535 /nfs/dbraw/zinc/81/95/35/712819535.db2.gz MYTXTMZFRHJPFB-ZJUUUORDSA-N 1 0 242.319 0.578 10 0 BCAERO CO[C@H]1CN(Cc2nocc2C)[C@@](C)(C[NH3+])C1 ZINC000720394258 712838263 /nfs/dbraw/zinc/83/82/63/712838263.db2.gz HQIKNYOXPVWQDO-ZYHUDNBSSA-N 1 0 239.319 0.921 10 0 BCAERO Cc1conc1C(=O)NCC1CC([NH3+])C1 ZINC000720451400 712844003 /nfs/dbraw/zinc/84/40/03/712844003.db2.gz QBRLKKMCFKSLRT-UHFFFAOYSA-N 1 0 209.249 0.450 10 0 BCAERO C[C@H](N[C@@H]1CCC[NH2+]CC1)c1cn(C)nn1 ZINC000720583969 712854830 /nfs/dbraw/zinc/85/48/30/712854830.db2.gz NVOQIBXMISMZCO-VHSXEESVSA-N 1 0 223.324 0.608 10 0 BCAERO Cn1ncc(C[NH2+]C[C@@H]2CCCC[C@@H]2O)n1 ZINC000381109664 710602526 /nfs/dbraw/zinc/60/25/26/710602526.db2.gz ZONNOTMPNRFYIC-ONGXEEELSA-N 1 0 224.308 0.456 10 0 BCAERO C[C@H]1CN(C(=O)CC(C)(C)C[NH3+])C[C@H](C)O1 ZINC000721213597 712898963 /nfs/dbraw/zinc/89/89/63/712898963.db2.gz GUVUZBHYFWZIPO-UWVGGRQHSA-N 1 0 228.336 0.997 10 0 BCAERO C[C@H]1CN(C[C@H](O)C[NH+]2CCCC2)CCS1 ZINC000380460959 712901112 /nfs/dbraw/zinc/90/11/12/712901112.db2.gz FIYFENZWHOXDAB-NWDGAFQWSA-N 1 0 244.404 0.880 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1CC(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000722520266 710715825 /nfs/dbraw/zinc/71/58/25/710715825.db2.gz HKOAVMNDPFEQNN-DDHJBXDOSA-N 1 0 240.347 0.868 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1CC(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000722520268 710716087 /nfs/dbraw/zinc/71/60/87/710716087.db2.gz HKOAVMNDPFEQNN-NOOOWODRSA-N 1 0 240.347 0.868 10 0 BCAERO CO[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CC(=O)N(C)C1 ZINC000722742429 710720180 /nfs/dbraw/zinc/72/01/80/710720180.db2.gz QUCROVHVOPRJGH-HBNTYKKESA-N 1 0 226.320 0.622 10 0 BCAERO Cc1cn(C)nc1CN1CCC[C@H]1C[NH3+] ZINC000723940303 710734799 /nfs/dbraw/zinc/73/47/99/710734799.db2.gz BLYROLCQECMWKH-JTQLQIEISA-N 1 0 208.309 0.652 10 0 BCAERO CN(Cc1cnn(C)n1)[C@@H]1CCC[NH2+]CC1 ZINC000381154375 710605638 /nfs/dbraw/zinc/60/56/38/710605638.db2.gz PTAZUCGKWWMBFO-LLVKDONJSA-N 1 0 223.324 0.389 10 0 BCAERO COCCCCc1noc(C[C@@H](C)[NH3+])n1 ZINC000381244505 710611546 /nfs/dbraw/zinc/61/15/46/710611546.db2.gz NYDVSQZTGZOQSF-MRVPVSSYSA-N 1 0 213.281 0.928 10 0 BCAERO [NH3+]Cc1cn(CC[C@@H](O)c2ccccc2)nn1 ZINC000721326336 710675257 /nfs/dbraw/zinc/67/52/57/710675257.db2.gz NRMVWHRVYBNESH-GFCCVEGCSA-N 1 0 232.287 0.861 10 0 BCAERO Cn1ccnc(N[C@H]2C[NH2+]CC2(C)C)c1=O ZINC000721935982 710694613 /nfs/dbraw/zinc/69/46/13/710694613.db2.gz VZZPLFHSUQLPKR-QMMMGPOBSA-N 1 0 222.292 0.190 10 0 BCAERO CN1C[C@H](C[NH2+][C@@H]2COCC2(C)C)CC1=O ZINC000722754830 711470165 /nfs/dbraw/zinc/47/01/65/711470165.db2.gz WGZVARFHKPEUOE-VHSXEESVSA-N 1 0 226.320 0.479 10 0 BCAERO C[C@H](O)[C@H](C)[NH2+]Cc1cnc(N(C)C)nc1 ZINC000336672214 711478152 /nfs/dbraw/zinc/47/81/52/711478152.db2.gz AEHBUBWQCHDJER-IUCAKERBSA-N 1 0 224.308 0.402 10 0 BCAERO Cn1ccnc(N2C3CCC2(C[NH3+])CC3)c1=O ZINC000722988235 711494083 /nfs/dbraw/zinc/49/40/83/711494083.db2.gz XJWJIRSXMWDPHJ-UHFFFAOYSA-N 1 0 234.303 0.240 10 0 BCAERO CN1C[C@@H](CC[NH2+]CC(C)(C)O)CC1=O ZINC000723387827 711509565 /nfs/dbraw/zinc/50/95/65/711509565.db2.gz LFGVRFMRUGXJFZ-VIFPVBQESA-N 1 0 214.309 0.215 10 0 BCAERO C[C@H]1CN(C(=O)c2cccn3nccc23)C[C@@H]1[NH3+] ZINC000723496500 711513181 /nfs/dbraw/zinc/51/31/81/711513181.db2.gz IEHMXPWRGNRVMY-ONGXEEELSA-N 1 0 244.298 0.754 10 0 BCAERO CC(C)(CN[C@@H]1CC[NH2+]C1)CS(C)(=O)=O ZINC000723882965 711543529 /nfs/dbraw/zinc/54/35/29/711543529.db2.gz NPBOPLNMSXWRTG-SECBINFHSA-N 1 0 234.365 0.009 10 0 BCAERO C[C@@H]1CN(c2ccc3nncn3n2)C[C@H]1CC[NH3+] ZINC000723906133 711545247 /nfs/dbraw/zinc/54/52/47/711545247.db2.gz RGHHEIDZXAXSQA-NXEZZACHSA-N 1 0 246.318 0.545 10 0 BCAERO Cc1cn(C)nc1C[N@H+]1C[C@H](O)C[C@H](C)C1 ZINC000724008857 711555180 /nfs/dbraw/zinc/55/51/80/711555180.db2.gz BPYYDUQLQJFOMG-GXSJLCMTSA-N 1 0 223.320 0.931 10 0 BCAERO C[C@@H]1C[C@H](C[N@@H+]2CCO[C@H](CO)C2)C[C@H](C)O1 ZINC000724362539 711575811 /nfs/dbraw/zinc/57/58/11/711575811.db2.gz LLCWXGNIJWHORZ-LOWDOPEQSA-N 1 0 243.347 0.883 10 0 BCAERO Cc1ccc(CN(C)C(=O)[C@@H]([NH3+])CO)cc1 ZINC000259085255 711579820 /nfs/dbraw/zinc/57/98/20/711579820.db2.gz YDPKTUAOQBZHOB-NSHDSACASA-N 1 0 222.288 0.273 10 0 BCAERO C[C@H]1CCCC[C@H]1[NH2+][C@@H]1CS(=O)(=O)C[C@H]1O ZINC000700600732 711590824 /nfs/dbraw/zinc/59/08/24/711590824.db2.gz XMKDWHLIEMVMCH-LNFKQOIKSA-N 1 0 247.360 0.313 10 0 BCAERO CC(C)(CO)[NH2+]C[C@@H]1C[C@H]2COC[C@@H]2O1 ZINC000724658504 711606084 /nfs/dbraw/zinc/60/60/84/711606084.db2.gz DXONEBDUKKDEHP-GUBZILKMSA-N 1 0 215.293 0.151 10 0 BCAERO CC(C)(O)C[NH2+]CCO[C@H]1CCOC1 ZINC000724937082 711631161 /nfs/dbraw/zinc/63/11/61/711631161.db2.gz NNXBNKSELAXEQK-VIFPVBQESA-N 1 0 203.282 0.152 10 0 BCAERO Cc1c(C[NH2+][C@H]2CC23CC(O)C3)cnn1C ZINC000724950803 711633137 /nfs/dbraw/zinc/63/31/37/711633137.db2.gz DKCHAQFAOBTRJK-CXQJBGSLSA-N 1 0 221.304 0.732 10 0 BCAERO CC(C)(C)[C@@H](O)C[NH2+]CCO[C@H]1CCOC1 ZINC000724985875 711640557 /nfs/dbraw/zinc/64/05/57/711640557.db2.gz OETWZLNYNMVNTQ-QWRGUYRKSA-N 1 0 231.336 0.789 10 0 BCAERO Cc1nnc(N(C)C2(C[NH3+])CCOCC2)s1 ZINC000725022505 711643668 /nfs/dbraw/zinc/64/36/68/711643668.db2.gz OCJPACXMNQIZHV-UHFFFAOYSA-N 1 0 242.348 0.791 10 0 BCAERO CC[N@@H+]1CCC[C@@H](NC(=S)NCCOC)C1 ZINC000136152501 711687942 /nfs/dbraw/zinc/68/79/42/711687942.db2.gz JTFJBNSCYNWPQO-SNVBAGLBSA-N 1 0 245.392 0.581 10 0 BCAERO [NH3+][C@H]1CCCN(C(=O)c2cn3c(n2)CCCC3)C1 ZINC000335030785 711720269 /nfs/dbraw/zinc/72/02/69/711720269.db2.gz RUVNIPIGSLABAB-JTQLQIEISA-N 1 0 248.330 0.783 10 0 BCAERO CC[C@H]([NH3+])C(=O)N[C@@H](C)[C@@H]1CCCO1 ZINC000036871731 711727136 /nfs/dbraw/zinc/72/71/36/711727136.db2.gz YPDGUAKUJKTKRE-CIUDSAMLSA-N 1 0 200.282 0.407 10 0 BCAERO C[C@@H]1CN(C)C(=O)CN1C[C@@H]1CCC[NH2+]C1 ZINC000257767204 711727821 /nfs/dbraw/zinc/72/78/21/711727821.db2.gz AAJLEIKBENOTTM-GHMZBOCLSA-N 1 0 225.336 0.149 10 0 BCAERO C(N[C@H]1CC[NH2+]C1)[C@H]1CC[C@@H](C2CC2)O1 ZINC000722311413 711734275 /nfs/dbraw/zinc/73/42/75/711734275.db2.gz DAMZCVYKMYBAJU-TUAOUCFPSA-N 1 0 210.321 0.896 10 0 BCAERO COC[C@H](C)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000186824474 711738488 /nfs/dbraw/zinc/73/84/88/711738488.db2.gz KBLDKIICRGLWLS-KXUCPTDWSA-N 1 0 214.309 0.383 10 0 BCAERO CN(C)c1cc(N2CCC[C@@H]2C[NH3+])ncn1 ZINC000258738376 711741396 /nfs/dbraw/zinc/74/13/96/711741396.db2.gz NONGAIOTVBAYEF-SECBINFHSA-N 1 0 221.308 0.470 10 0 BCAERO Cc1[nH+]ccc(N[C@H]2CNOC2)c1Cl ZINC000722489721 711759593 /nfs/dbraw/zinc/75/95/93/711759593.db2.gz LMHKACYSQZSPFC-ZETCQYMHSA-N 1 0 213.668 0.781 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1CC(=O)N[C@@H]1CCC[C@@H](O)C1 ZINC000722510242 711760259 /nfs/dbraw/zinc/76/02/59/711760259.db2.gz DEXMQMFADLUBHU-DDHJBXDOSA-N 1 0 240.347 0.652 10 0 BCAERO Nc1cccc([C@@H]2CCNC3=[NH+]CCN32)c1 ZINC000236386173 711761808 /nfs/dbraw/zinc/76/18/08/711761808.db2.gz JLVWXQIBRBJUDY-NSHDSACASA-N 1 0 216.288 0.975 10 0 BCAERO CCOCCOCC(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000236910224 711763148 /nfs/dbraw/zinc/76/31/48/711763148.db2.gz GPDFAJYWCNEORO-MNOVXSKESA-N 1 0 244.335 0.283 10 0 BCAERO CC1(C)C[NH2+]C[C@@H]1Nc1nccn2cnnc12 ZINC000721865467 711792227 /nfs/dbraw/zinc/79/22/27/711792227.db2.gz KOJWACLHINCHJG-QMMMGPOBSA-N 1 0 232.291 0.534 10 0 BCAERO Cc1noc2ncnc(N[C@@H]3C[NH2+]C[C@H]3C)c12 ZINC000721867406 711792762 /nfs/dbraw/zinc/79/27/62/711792762.db2.gz SWKBBCXLJOCUCR-HTRCEHHLSA-N 1 0 233.275 0.946 10 0 BCAERO COCCOCCOCCN1CCC[C@H]1C[NH3+] ZINC000132565260 711970344 /nfs/dbraw/zinc/97/03/44/711970344.db2.gz ANHRUHVMGOLTHS-LBPRGKRZSA-N 1 0 246.351 0.089 10 0 BCAERO CO[C@@H]1CN(Cc2cnns2)[C@](C)(C[NH3+])C1 ZINC000708930773 711975253 /nfs/dbraw/zinc/97/52/53/711975253.db2.gz KHQWCOMXRKCVTH-WPRPVWTQSA-N 1 0 242.348 0.476 10 0 BCAERO CC(C)Cc1noc([C@H]2C[NH2+]CCOC2)n1 ZINC000700381039 711990824 /nfs/dbraw/zinc/99/08/24/711990824.db2.gz JDIHRNKPOLYSFQ-VIFPVBQESA-N 1 0 225.292 0.972 10 0 BCAERO Cc1cc(=O)[nH]c(C[NH2+][C@H]2COC[C@H]2C)n1 ZINC000700479442 711994416 /nfs/dbraw/zinc/99/44/16/711994416.db2.gz FQBKEXAZPKMBIS-APPZFPTMSA-N 1 0 223.276 0.615 10 0 BCAERO CC[C@@H](C)[C@@H](C)[NH2+][C@@H]1CS(=O)(=O)C[C@H]1O ZINC000700570328 711999182 /nfs/dbraw/zinc/99/91/82/711999182.db2.gz WUBXSVZWNHXGEP-ZYUZMQFOSA-N 1 0 235.349 0.169 10 0 BCAERO C[C@@H](CC(C)(C)C)[NH2+][C@@H]1CS(=O)(=O)C[C@H]1O ZINC000700598242 711999681 /nfs/dbraw/zinc/99/96/81/711999681.db2.gz FFYDVARBDKNAJS-IVZWLZJFSA-N 1 0 249.376 0.559 10 0 BCAERO C[C@@H](C[NH3+])NC(=O)[C@H]1Cc2ccccc2CO1 ZINC000700667914 712001672 /nfs/dbraw/zinc/00/16/72/712001672.db2.gz ZPBBLADBZYYWTO-JOYOIKCWSA-N 1 0 234.299 0.591 10 0 BCAERO CCN(CC[NH3+])C(=O)[C@@H]1Cc2ccccc2CO1 ZINC000700652885 712001674 /nfs/dbraw/zinc/00/16/74/712001674.db2.gz JPYSCRHEVHCYHC-ZDUSSCGKSA-N 1 0 248.326 0.935 10 0 BCAERO [NH3+][C@@H]1CCN(C(=O)[C@H]2Cc3ccccc3CO2)C1 ZINC000700652361 712001733 /nfs/dbraw/zinc/00/17/33/712001733.db2.gz HXKTZLHGZHOQOF-CHWSQXEVSA-N 1 0 246.310 0.688 10 0 BCAERO C[C@H](CC[NH3+])NC(=O)[C@@H]1Cc2ccccc2CO1 ZINC000700658251 712001909 /nfs/dbraw/zinc/00/19/09/712001909.db2.gz XXTUGYKVAWCHPS-MFKMUULPSA-N 1 0 248.326 0.981 10 0 BCAERO CC[NH2+]CCNC(=O)[C@H]1Cc2ccccc2CO1 ZINC000700650691 712002026 /nfs/dbraw/zinc/00/20/26/712002026.db2.gz FWKTYWFUEGAMIO-CYBMUJFWSA-N 1 0 248.326 0.854 10 0 BCAERO O=S1(=O)C[C@@H](O)[C@H]([NH2+][C@H]2CCCC23CC3)C1 ZINC000700738865 712004660 /nfs/dbraw/zinc/00/46/60/712004660.db2.gz VOQPHERZMJDOLM-BBBLOLIVSA-N 1 0 245.344 0.067 10 0 BCAERO Cc1oncc1Cn1cc(C(C)(C)[NH3+])nn1 ZINC000700823275 712007852 /nfs/dbraw/zinc/00/78/52/712007852.db2.gz LANDIOCUGOJOFY-UHFFFAOYSA-N 1 0 221.264 0.817 10 0 BCAERO O=C(/C=C\c1cccnc1)NC[C@H]1CC[NH2+]C1 ZINC000701046010 712013035 /nfs/dbraw/zinc/01/30/35/712013035.db2.gz KRQOORLNORZQED-MVZIDQBPSA-N 1 0 231.299 0.821 10 0 BCAERO O=C(/C=C\c1cccnc1)NC[C@@H]1CC[NH2+]C1 ZINC000701046012 712013054 /nfs/dbraw/zinc/01/30/54/712013054.db2.gz KRQOORLNORZQED-VSQXVHSFSA-N 1 0 231.299 0.821 10 0 BCAERO C[NH2+][C@@H](C)CNC(=O)c1cccc(F)n1 ZINC000701070701 712013494 /nfs/dbraw/zinc/01/34/94/712013494.db2.gz MSWLIZJHVZDSOG-ZETCQYMHSA-N 1 0 211.240 0.558 10 0 BCAERO C[C@H]1CN(C(=O)c2cccc(F)n2)C[C@H]1[NH3+] ZINC000701081484 712014837 /nfs/dbraw/zinc/01/48/37/712014837.db2.gz WJXUHUGBGLFCPW-JGVFFNPUSA-N 1 0 223.251 0.640 10 0 BCAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)/C=C\c1cnn(C)c1 ZINC000701377950 712021326 /nfs/dbraw/zinc/02/13/26/712021326.db2.gz HOAGJUTVXSWYRK-YUPSMKLTSA-N 1 0 234.303 0.381 10 0 BCAERO Cc1cc(OCC(=O)NC[C@H]2CC[NH2+]C2)no1 ZINC000701384030 712021550 /nfs/dbraw/zinc/02/15/50/712021550.db2.gz CMYOVAOAMNXLSN-VIFPVBQESA-N 1 0 239.275 0.088 10 0 BCAERO Cc1cc(OCC(=O)NC[C@@H]2CC[NH2+]C2)no1 ZINC000701384029 712021731 /nfs/dbraw/zinc/02/17/31/712021731.db2.gz CMYOVAOAMNXLSN-SECBINFHSA-N 1 0 239.275 0.088 10 0 BCAERO O=C(NCc1ncccn1)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000702161035 712040107 /nfs/dbraw/zinc/04/01/07/712040107.db2.gz QPTQYJDLDASASJ-GWCFXTLKSA-N 1 0 246.314 0.483 10 0 BCAERO C[NH+](C)C[C@H](N)c1nc([C@@H]2CC23CC3)no1 ZINC000702200665 712040343 /nfs/dbraw/zinc/04/03/43/712040343.db2.gz OKYVYUILGIEIEC-YUMQZZPRSA-N 1 0 222.292 0.899 10 0 BCAERO OCC[C@@H]1COCC[N@@H+]1C[C@H]1CCC[C@@H](O)C1 ZINC000702190454 712041255 /nfs/dbraw/zinc/04/12/55/712041255.db2.gz HBHGIUKGXFWERT-YNEHKIRRSA-N 1 0 243.347 0.621 10 0 BCAERO C[C@]1(C(=O)NCc2ncccn2)CCCC[NH2+]1 ZINC000702342566 712045981 /nfs/dbraw/zinc/04/59/81/712045981.db2.gz ODQKVQNBZDRANB-GFCCVEGCSA-N 1 0 234.303 0.625 10 0 BCAERO C[C@H](NCc1ncccn1)[C@@H]1CCC[NH2+]C1 ZINC000702324677 712047049 /nfs/dbraw/zinc/04/70/49/712047049.db2.gz RINVDXFLFSBVTC-WDEREUQCSA-N 1 0 220.320 0.954 10 0 BCAERO CN1CC[C@@](O)(C[NH2+]CCc2ccccc2)C1 ZINC000702552603 712055013 /nfs/dbraw/zinc/05/50/13/712055013.db2.gz VOPHREXCXMWHMS-CQSZACIVSA-N 1 0 234.343 0.885 10 0 BCAERO CC(C)OC[C@H](O)CN1C[C@@H]([NH3+])C[C@@H]1C ZINC000702653141 712058433 /nfs/dbraw/zinc/05/84/33/712058433.db2.gz GGYORGGTIVBHBO-GARJFASQSA-N 1 0 216.325 0.194 10 0 BCAERO O=C(/C=C\c1ccccc1)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000702848002 712061427 /nfs/dbraw/zinc/06/14/27/712061427.db2.gz VSFSVFQELGPUTQ-JSIVBPPZSA-N 1 0 246.310 0.396 10 0 BCAERO C[C@@H]([NH3+])CN(C)c1ncnc2[nH]ccc21 ZINC000705207175 712123889 /nfs/dbraw/zinc/12/38/89/712123889.db2.gz HFQHXRHLQYDBGT-SSDOTTSWSA-N 1 0 205.265 0.741 10 0 BCAERO CC(C)[C@@H](C)[N@@H+]1C[C@H](CO)[C@H](CO)C1 ZINC000705335369 712129065 /nfs/dbraw/zinc/12/90/65/712129065.db2.gz YFKMCJLUXKVGLA-MXWKQRLJSA-N 1 0 201.310 0.564 10 0 BCAERO CC1(O)CCC([NH2+][C@H]2CCOC[C@H]2O)CC1 ZINC000706707436 712152794 /nfs/dbraw/zinc/15/27/94/712152794.db2.gz WNCDRBBBBGJRHZ-LVFLEHKBSA-N 1 0 229.320 0.419 10 0 BCAERO CCON1CCC([NH2+][C@@H]2CCOC[C@@H]2O)CC1 ZINC000706732874 712153356 /nfs/dbraw/zinc/15/33/56/712153356.db2.gz DGHKKRKQDBFVSQ-NEPJUHHUSA-N 1 0 244.335 0.142 10 0 BCAERO Cn1c(Cl)cnc1C[NH2+][C@@H]1CCOC[C@@H]1O ZINC000706766734 712154658 /nfs/dbraw/zinc/15/46/58/712154658.db2.gz UVMLXFXUSRXQFD-SFYZADRCSA-N 1 0 245.710 0.313 10 0 BCAERO O[C@H]1COCC[C@@H]1[NH2+]Cc1cccc2c1OCC2 ZINC000706775045 712155212 /nfs/dbraw/zinc/15/52/12/712155212.db2.gz JDWWYQPDNIFMGQ-STQMWFEESA-N 1 0 249.310 0.861 10 0 BCAERO O[C@@H]1COCC[C@@H]1[NH2+]Cc1cccc2c1OCC2 ZINC000706775041 712155410 /nfs/dbraw/zinc/15/54/10/712155410.db2.gz JDWWYQPDNIFMGQ-QWHCGFSZSA-N 1 0 249.310 0.861 10 0 BCAERO O[C@H]1COCC[C@@H]1[NH2+]CC1(O)CCCCC1 ZINC000706922212 712160951 /nfs/dbraw/zinc/16/09/51/712160951.db2.gz OXFHUMMDCPKKJU-QWRGUYRKSA-N 1 0 229.320 0.421 10 0 BCAERO CC(C)(C)[NH2+]CCC(=O)N[C@H]1CCOC[C@H]1O ZINC000706990586 712163900 /nfs/dbraw/zinc/16/39/00/712163900.db2.gz BMONXAQNKLFQFD-VHSXEESVSA-N 1 0 244.335 0.031 10 0 BCAERO CCN(CC(=O)OC)C(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000707332720 712167956 /nfs/dbraw/zinc/16/79/56/712167956.db2.gz VZKBEJUXUQHMQZ-ZJUUUORDSA-N 1 0 242.319 0.383 10 0 BCAERO [NH3+]C1CC(C(=O)N2CCOCC23CCC3)C1 ZINC000707438235 712169833 /nfs/dbraw/zinc/16/98/33/712169833.db2.gz GFRRLJDPNUFINX-UHFFFAOYSA-N 1 0 224.304 0.505 10 0 BCAERO COC(=O)[C@@H]1CCCN(C(=O)C2CC([NH3+])C2)C1 ZINC000707385800 712170030 /nfs/dbraw/zinc/17/00/30/712170030.db2.gz KHCLRAJRDNHKHI-XNWIYYODSA-N 1 0 240.303 0.135 10 0 BCAERO COC(=O)CCCC[NH2+]C(C)(C)CO ZINC000707501529 712172370 /nfs/dbraw/zinc/17/23/70/712172370.db2.gz XCQOWAIAUOJJLF-UHFFFAOYSA-N 1 0 203.282 0.690 10 0 BCAERO C[C@@H](NC(=O)[C@@]1(C)CCC[NH2+]1)[C@H]1CCCO1 ZINC000708029394 712175535 /nfs/dbraw/zinc/17/55/35/712175535.db2.gz UXFUBGLVCSIOTJ-CKYFFXLPSA-N 1 0 226.320 0.812 10 0 BCAERO CN1CCO[C@@H](C[N@H+](C)CCCCCCO)C1 ZINC000707856504 712180435 /nfs/dbraw/zinc/18/04/35/712180435.db2.gz SVCGAGPTRHNVMQ-ZDUSSCGKSA-N 1 0 244.379 0.802 10 0 BCAERO COCCOC[C@@H](O)C[NH2+]C1CC(SC)C1 ZINC000708291907 712185482 /nfs/dbraw/zinc/18/54/82/712185482.db2.gz XMSONTZWBZNWSK-YVNMAJEFSA-N 1 0 249.376 0.494 10 0 BCAERO C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1CO ZINC000708619358 712195659 /nfs/dbraw/zinc/19/56/59/712195659.db2.gz VLDZOJJIIOHTLJ-MNOVXSKESA-N 1 0 238.331 0.169 10 0 BCAERO COCC(COC)[N@@H+]1C[C@@H](C)[C@H](CO)C1 ZINC000708687090 712196769 /nfs/dbraw/zinc/19/67/69/712196769.db2.gz QMRINZDBCGQBQC-ZJUUUORDSA-N 1 0 217.309 0.208 10 0 BCAERO C[C@@H]1C[N@H+](C[C@H]2CCCN2C)C[C@H]1CO ZINC000708687702 712197042 /nfs/dbraw/zinc/19/70/42/712197042.db2.gz SKWCDCDRECVMTB-GRYCIOLGSA-N 1 0 212.337 0.641 10 0 BCAERO C[C@@H]1C[N@H+](CCO[C@H]2CC2(F)F)C[C@H]1CO ZINC000708697123 712197323 /nfs/dbraw/zinc/19/73/23/712197323.db2.gz DAEBNFUZMIFBKB-UTLUCORTSA-N 1 0 235.274 0.971 10 0 BCAERO C[N@H+](C[C@@H]1CCC[C@H](O)C1)[C@@H]1COC[C@H]1O ZINC000708734978 712198308 /nfs/dbraw/zinc/19/83/08/712198308.db2.gz FERMDEQWPXRFFI-WRWGMCAJSA-N 1 0 229.320 0.229 10 0 BCAERO C[C@@H]1CN(C(=O)C(C)(C)F)C[C@@H]1C[NH3+] ZINC000708825582 712200083 /nfs/dbraw/zinc/20/00/83/712200083.db2.gz KKIYSWSQBJBSEM-SFYZADRCSA-N 1 0 202.273 0.788 10 0 BCAERO C[C@H]1CN(C(=O)c2cccnc2F)C[C@H]1C[NH3+] ZINC000708841378 712200818 /nfs/dbraw/zinc/20/08/18/712200818.db2.gz RAYSZUPDQZJRBW-DTWKUNHWSA-N 1 0 237.278 0.888 10 0 BCAERO C[C@@H]1CN(C[C@@H](O)C(F)(F)F)C[C@@H]1C[NH3+] ZINC000708860917 712201247 /nfs/dbraw/zinc/20/12/47/712201247.db2.gz FOURIQISWRADBZ-GJMOJQLCSA-N 1 0 226.242 0.436 10 0 BCAERO C[C@@H]1CN(C(=O)N[C@H]2CCOC2)C[C@@H]1C[NH3+] ZINC000708866246 712201897 /nfs/dbraw/zinc/20/18/97/712201897.db2.gz FLNPPRGQLFZRTH-UTLUCORTSA-N 1 0 227.308 0.012 10 0 BCAERO CCCS(=O)(=O)CCN1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000708893513 712202517 /nfs/dbraw/zinc/20/25/17/712202517.db2.gz KTZSVTJACMBEEV-QWRGUYRKSA-N 1 0 248.392 0.338 10 0 BCAERO CO[C@H]1CN(Cc2nonc2C)[C@](C)(C[NH3+])C1 ZINC000708950241 712203453 /nfs/dbraw/zinc/20/34/53/712203453.db2.gz IJFNJXAWOPBCBH-KOLCDFICSA-N 1 0 240.307 0.316 10 0 BCAERO CO[C@@H]1CN(C(=O)[C@@H]2CC2(C)C)[C@](C)(C[NH3+])C1 ZINC000708964431 712204039 /nfs/dbraw/zinc/20/40/39/712204039.db2.gz QWXZXWHTKVNSQQ-KWBADKCTSA-N 1 0 240.347 0.997 10 0 BCAERO NC(=O)c1cc(N2CCCCC[C@@H]([NH3+])C2)ccn1 ZINC000709039181 712205675 /nfs/dbraw/zinc/20/56/75/712205675.db2.gz WKVWBKMJVCUVQC-SNVBAGLBSA-N 1 0 248.330 0.888 10 0 BCAERO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(c1nccn3cnnc13)C2 ZINC000709801515 712227261 /nfs/dbraw/zinc/22/72/61/712227261.db2.gz DLFQQCJGVBQAEY-GUBZILKMSA-N 1 0 244.302 0.440 10 0 BCAERO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(c1ncccn1)C2 ZINC000709793790 712227376 /nfs/dbraw/zinc/22/73/76/712227376.db2.gz KZZZZNQBBOWGIN-GUBZILKMSA-N 1 0 204.277 0.793 10 0 BCAERO CC[C@@]1(O)CCC[N@H+](C[C@H]2CNC(=O)O2)C1 ZINC000710603219 712263752 /nfs/dbraw/zinc/26/37/52/712263752.db2.gz RLAXENYAPOXZIS-MWLCHTKSSA-N 1 0 228.292 0.332 10 0 BCAERO CC[C@@]1(O)CCC[N@H+](C[C@@H]2CNC(=O)O2)C1 ZINC000710603211 712264062 /nfs/dbraw/zinc/26/40/62/712264062.db2.gz RLAXENYAPOXZIS-GXSJLCMTSA-N 1 0 228.292 0.332 10 0 BCAERO COC1(OC)CC[C@@H]1[NH2+]C[C@@H]1CN(C)CCO1 ZINC000710989777 712272524 /nfs/dbraw/zinc/27/25/24/712272524.db2.gz QZDMJUAWMLLFLL-MNOVXSKESA-N 1 0 244.335 0.058 10 0 BCAERO COC1(OC)CC[C@H]1[NH2+][C@@H]1CCCNC1=O ZINC000711041739 712276184 /nfs/dbraw/zinc/27/61/84/712276184.db2.gz OCEMCZGFEKMPBJ-RKDXNWHRSA-N 1 0 228.292 0.006 10 0 BCAERO COC(=O)CCCC[N@H+](C)[C@H](C)C(N)=O ZINC000711085195 712279005 /nfs/dbraw/zinc/27/90/05/712279005.db2.gz WWKVTZFQAJGNDA-MRVPVSSYSA-N 1 0 216.281 0.135 10 0 BCAERO C[C@@H]1OCC[C@H]1NC(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000711216612 712289657 /nfs/dbraw/zinc/28/96/57/712289657.db2.gz VVNRFURKARSCGO-LPEHRKFASA-N 1 0 226.320 0.526 10 0 BCAERO C[C@@H]1COCCN1C(=O)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000711258130 712291951 /nfs/dbraw/zinc/29/19/51/712291951.db2.gz UBBBBZJKNYLWCY-WZRBSPASSA-N 1 0 238.331 0.766 10 0 BCAERO CC1(C)C[NH2+]C[C@@H]1C(=O)N[C@@H]1CCC[C@H](O)C1 ZINC000711347744 712295003 /nfs/dbraw/zinc/29/50/03/712295003.db2.gz YHMGDQCIUIQYMA-OUAUKWLOSA-N 1 0 240.347 0.652 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)N[C@@]23CCC[C@@H]2[NH2+]CC3)O1 ZINC000711618112 712312718 /nfs/dbraw/zinc/31/27/18/712312718.db2.gz SNIMRSJJVUHVOY-HNCHTBHHSA-N 1 0 238.331 0.955 10 0 BCAERO CO[C@H]1CN(CCOC2CC2)[C@](C)(C[NH3+])C1 ZINC000711776066 712327903 /nfs/dbraw/zinc/32/79/03/712327903.db2.gz DWVQFGCQMAYFFC-NEPJUHHUSA-N 1 0 228.336 0.604 10 0 BCAERO C[C@@H]1CN(Cc2nccn2C2CC2)C[C@@H]1[NH3+] ZINC000711803870 712331685 /nfs/dbraw/zinc/33/16/85/712331685.db2.gz WKVGWPSMQWWKDR-KOLCDFICSA-N 1 0 220.320 0.997 10 0 BCAERO C[NH2+]C[C@@H](C)NC(=O)[C@@H]1Cc2ccccc2CO1 ZINC000700644624 712355744 /nfs/dbraw/zinc/35/57/44/712355744.db2.gz ZVSXJWGHXDHCPA-MFKMUULPSA-N 1 0 248.326 0.852 10 0 BCAERO C[C@@H](C(=O)N1C[C@@H](F)C[C@H]1C[NH3+])C1CC1 ZINC000378683147 712357417 /nfs/dbraw/zinc/35/74/17/712357417.db2.gz YSBNUMMNEMDDEL-JEZHCXPESA-N 1 0 214.284 0.930 10 0 BCAERO OC[C@@H]1CCC[N@@H+]([C@@H]2CCC[C@H]2O)CC1 ZINC000378706446 712358247 /nfs/dbraw/zinc/35/82/47/712358247.db2.gz PZNQEPWIUHWPNE-IJLUTSLNSA-N 1 0 213.321 0.994 10 0 BCAERO OC[C@H]1CCC[N@@H+]([C@@H]2CCC[C@H]2O)CC1 ZINC000378706453 712358545 /nfs/dbraw/zinc/35/85/45/712358545.db2.gz PZNQEPWIUHWPNE-QJPTWQEYSA-N 1 0 213.321 0.994 10 0 BCAERO CCOCCC(=O)N1C[C@@H](F)C[C@H]1C[NH3+] ZINC000378793734 712362125 /nfs/dbraw/zinc/36/21/25/712362125.db2.gz PBYMSBYRWHGJGW-IUCAKERBSA-N 1 0 218.272 0.311 10 0 BCAERO C[C@@H]([NH2+]CCn1cncn1)[C@H]1CCCCO1 ZINC000379250968 712371675 /nfs/dbraw/zinc/37/16/75/712371675.db2.gz FIUBYXVYCKMWTC-GHMZBOCLSA-N 1 0 224.308 0.825 10 0 BCAERO CCCCOC[C@H](O)C[NH2+]C[C@H]1CCN1CC ZINC000712581441 712433702 /nfs/dbraw/zinc/43/37/02/712433702.db2.gz VIRPYTWZJXBSAX-CHWSQXEVSA-N 1 0 244.379 0.848 10 0 BCAERO CN1CC[C@H]1C[NH2+]C[C@H](O)C(C)(C)C ZINC000712616285 712438412 /nfs/dbraw/zinc/43/84/12/712438412.db2.gz QNCWZVNURKMEPX-UWVGGRQHSA-N 1 0 200.326 0.687 10 0 BCAERO CCN1CC[C@@H]1C[NH2+]Cc1cnn(C)c1C ZINC000712550767 712444520 /nfs/dbraw/zinc/44/45/20/712444520.db2.gz WLHUBCQJBARBHD-GFCCVEGCSA-N 1 0 222.336 0.912 10 0 BCAERO C[C@@H](O)CCNC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000713189946 712453852 /nfs/dbraw/zinc/45/38/52/712453852.db2.gz YSEIMGCSADKNPX-REIXXSIJSA-N 1 0 212.293 0.001 10 0 BCAERO CCOCCCCNC(=O)[C@@H]1CO[C@H](C[NH3+])C1 ZINC000713767124 712471820 /nfs/dbraw/zinc/47/18/20/712471820.db2.gz QTFFJLNXCRDPPT-QWRGUYRKSA-N 1 0 244.335 0.283 10 0 BCAERO [NH3+]C[C@H]1C[C@@H](C(=O)NCc2ccccc2)CO1 ZINC000713797251 712472264 /nfs/dbraw/zinc/47/22/64/712472264.db2.gz UDVDPURJIDNRMZ-VXGBXAGGSA-N 1 0 234.299 0.667 10 0 BCAERO [NH3+]C[C@@H]1C[C@H](C(=O)NCC[C@@H]2CCCO2)CO1 ZINC000713787345 712472265 /nfs/dbraw/zinc/47/22/65/712472265.db2.gz ZNWUVTSLPPQVJW-DCAQKATOSA-N 1 0 242.319 0.036 10 0 BCAERO CCC(CC)NC(=O)[C@@H]1CO[C@@H](C[NH3+])C1 ZINC000713884737 712472285 /nfs/dbraw/zinc/47/22/85/712472285.db2.gz XBOPEHNMFZYZNG-WCBMZHEXSA-N 1 0 214.309 0.655 10 0 BCAERO CCCCN(CC)C(=O)[C@H]1CO[C@@H](C[NH3+])C1 ZINC000713869886 712473481 /nfs/dbraw/zinc/47/34/81/712473481.db2.gz GEMGIRRDRHWGEE-GHMZBOCLSA-N 1 0 228.336 0.999 10 0 BCAERO CC[NH2+]CC(=O)NC1CC(COC)C1 ZINC000713929984 712473742 /nfs/dbraw/zinc/47/37/42/712473742.db2.gz FTKMKUVQTOQEKU-UHFFFAOYSA-N 1 0 200.282 0.137 10 0 BCAERO COCC1CC([NH2+][C@H]2CCCS(=O)(=O)C2)C1 ZINC000713931372 712473761 /nfs/dbraw/zinc/47/37/61/712473761.db2.gz RYCRJZWNPJFGKI-YVNMAJEFSA-N 1 0 247.360 0.578 10 0 BCAERO CC[C@H](C)[C@H]([NH3+])C(=O)NC1CC(COC)C1 ZINC000713942260 712474295 /nfs/dbraw/zinc/47/42/95/712474295.db2.gz FVXJYJITLDQSFR-PMUOWJKOSA-N 1 0 228.336 0.901 10 0 BCAERO COCC1CC(NC(=O)c2ccnc(C[NH3+])c2)C1 ZINC000713952415 712474529 /nfs/dbraw/zinc/47/45/29/712474529.db2.gz KIFILGKYUBCYSB-UHFFFAOYSA-N 1 0 249.314 0.695 10 0 BCAERO COCCN1CC[C@H]([NH2+]C2CC(COC)C2)C1 ZINC000713962646 712475052 /nfs/dbraw/zinc/47/50/52/712475052.db2.gz ZRHNHWDWLGTBTA-CPCZMJQVSA-N 1 0 242.363 0.722 10 0 BCAERO COCC1CC([NH2+]Cc2cncnc2)C1 ZINC000713983522 712475967 /nfs/dbraw/zinc/47/59/67/712475967.db2.gz CYJHGSYDWUYXTD-UHFFFAOYSA-N 1 0 207.277 0.991 10 0 BCAERO COCC1CC(NC(=O)[C@@H](C)C[NH3+])C1 ZINC000713994806 712476547 /nfs/dbraw/zinc/47/65/47/712476547.db2.gz ALGADLBZGFZPPD-UEJVZZJDSA-N 1 0 200.282 0.122 10 0 BCAERO COCC1CC(NC(=O)[C@@H]([NH3+])C2CCC2)C1 ZINC000713984679 712476208 /nfs/dbraw/zinc/47/62/08/712476208.db2.gz VSHKEESVUWFLOR-RFBVYIQQSA-N 1 0 226.320 0.655 10 0 BCAERO COCC1CC([NH2+][C@@H](C)CS(C)(=O)=O)C1 ZINC000714008350 712477358 /nfs/dbraw/zinc/47/73/58/712477358.db2.gz RRYGPAZDBDPPMA-IDKOKCKLSA-N 1 0 235.349 0.434 10 0 BCAERO [NH3+]C[C@H]1C[C@H](c2nc(-c3cccnc3)no2)CO1 ZINC000714062238 712477706 /nfs/dbraw/zinc/47/77/06/712477706.db2.gz DQGNJHLSSFMDKY-VHSXEESVSA-N 1 0 246.270 0.963 10 0 BCAERO [NH3+]C[C@H]1C[C@@H](c2nc(-c3ccncc3)no2)CO1 ZINC000714063378 712477725 /nfs/dbraw/zinc/47/77/25/712477725.db2.gz JZBXXWJCNMBXFY-NXEZZACHSA-N 1 0 246.270 0.963 10 0 BCAERO [NH3+]C[C@@H]1C[C@@H](c2nc(CC3CC3)no2)CO1 ZINC000714076717 712477977 /nfs/dbraw/zinc/47/79/77/712477977.db2.gz LTKBLYKXAGMSSL-BDAKNGLRSA-N 1 0 223.276 0.853 10 0 BCAERO CCCn1cc(C[NH2+]C2CC(CO)C2)nn1 ZINC000714420702 712486291 /nfs/dbraw/zinc/48/62/91/712486291.db2.gz ZXABKRMZXRGBDP-UHFFFAOYSA-N 1 0 224.308 0.549 10 0 BCAERO CCCn1cc(C[NH2+]C[C@@H]2CCC[C@@H]2O)nn1 ZINC000714461886 712490952 /nfs/dbraw/zinc/49/09/52/712490952.db2.gz WAWKAJUMWJIZJV-JQWIXIFHSA-N 1 0 238.335 0.939 10 0 BCAERO CCn1cc(C[NH2+][C@H]2CCC(=O)N[C@H]2C)nn1 ZINC000714912301 712499837 /nfs/dbraw/zinc/49/98/37/712499837.db2.gz PDQZTGGXMHATNB-WPRPVWTQSA-N 1 0 237.307 0.055 10 0 BCAERO [NH3+]C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC[C@@H]2O)C1(F)F ZINC000715074389 712506307 /nfs/dbraw/zinc/50/63/07/712506307.db2.gz QHCSYJPMTQSGSL-UYXSQOIJSA-N 1 0 248.273 0.104 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N1CCO[C@H](C)C1 ZINC000036872614 712506505 /nfs/dbraw/zinc/50/65/05/712506505.db2.gz HVXGXZAATBBIGG-BDAKNGLRSA-N 1 0 200.282 0.361 10 0 BCAERO COC(=O)c1cncc(NC[C@H]2C[C@@H]([NH3+])C2)n1 ZINC000715080356 712506728 /nfs/dbraw/zinc/50/67/28/712506728.db2.gz DOHUSJCRSJMREH-OCAPTIKFSA-N 1 0 236.275 0.412 10 0 BCAERO Cc1cc(C)n(CC(=O)NCC2CC([NH3+])C2)n1 ZINC000715097165 712508562 /nfs/dbraw/zinc/50/85/62/712508562.db2.gz QFVRCKABABSJGL-UHFFFAOYSA-N 1 0 236.319 0.353 10 0 BCAERO [NH3+]C1CC(CNC(=O)CCc2ccncc2)C1 ZINC000715097075 712508594 /nfs/dbraw/zinc/50/85/94/712508594.db2.gz OQKKGIIPWFLXMC-UHFFFAOYSA-N 1 0 233.315 0.868 10 0 BCAERO COc1ccnc(NC[C@H]2C[C@@H]([NH3+])C2)n1 ZINC000715122484 712510796 /nfs/dbraw/zinc/51/07/96/712510796.db2.gz LLMJBENDSABHKS-OCAPTIKFSA-N 1 0 208.265 0.634 10 0 BCAERO [NH3+]C[C@@H]1[C@H](C(=O)N[C@@H]2CCCOC2)C1(F)F ZINC000715128280 712511419 /nfs/dbraw/zinc/51/14/19/712511419.db2.gz MGEHZFMIPXSWHI-BWZBUEFSSA-N 1 0 234.246 0.122 10 0 BCAERO [NH3+][C@H]1C[C@@H](CNc2ccc3nncn3n2)C1 ZINC000715131670 712513838 /nfs/dbraw/zinc/51/38/38/712513838.db2.gz IHBMOLIROBCUNF-OCAPTIKFSA-N 1 0 218.264 0.274 10 0 BCAERO CN(C)c1cc(C(=O)NCC2CC([NH3+])C2)ccn1 ZINC000715135708 712514325 /nfs/dbraw/zinc/51/43/25/712514325.db2.gz ZXZZQKXSKHTUGQ-UHFFFAOYSA-N 1 0 248.330 0.615 10 0 BCAERO [NH3+]C1CC(CNC(=O)C2CCSCC2)C1 ZINC000715134806 712514461 /nfs/dbraw/zinc/51/44/61/712514461.db2.gz WIWQJJHZPJWFOE-UHFFFAOYSA-N 1 0 228.361 0.983 10 0 BCAERO [NH3+]CCCCCC(=O)N[C@@H]1CCC[C@@H](O)C1 ZINC000037001021 712528563 /nfs/dbraw/zinc/52/85/63/712528563.db2.gz PHEYMMJZOOPTQE-GHMZBOCLSA-N 1 0 228.336 0.925 10 0 BCAERO COC1CC(C[NH2+][C@@H](C)c2cn(C)nn2)C1 ZINC000715853875 712536467 /nfs/dbraw/zinc/53/64/67/712536467.db2.gz UOZFRFUOXOPOSJ-IDKOKCKLSA-N 1 0 224.308 0.891 10 0 BCAERO COCC1CC([NH2+][C@H](C)c2cn(C)nn2)C1 ZINC000715873462 712538076 /nfs/dbraw/zinc/53/80/76/712538076.db2.gz CGPHPFXNRSIGRB-XNWIYYODSA-N 1 0 224.308 0.891 10 0 BCAERO CC[C@@H]1COC[C@@H]1[NH2+][C@@H](C)c1cn(C)nn1 ZINC000715942372 712544810 /nfs/dbraw/zinc/54/48/10/712544810.db2.gz IQBKSMZDEVVSGG-NGZCFLSTSA-N 1 0 224.308 0.891 10 0 BCAERO CS(=O)(=O)C1CC([NH2+]CC[C@@H]2CCCO2)C1 ZINC000716083747 712550234 /nfs/dbraw/zinc/55/02/34/712550234.db2.gz HILQCTXYDZLQNI-YVNMAJEFSA-N 1 0 247.360 0.721 10 0 BCAERO C[NH2+][C@H](C)C(=O)N(CCOC)C1CCOCC1 ZINC000716396273 712558109 /nfs/dbraw/zinc/55/81/09/712558109.db2.gz BAMYQFLPESSEBZ-SNVBAGLBSA-N 1 0 244.335 0.248 10 0 BCAERO NC(=O)C1CC(NC(=O)C2([NH3+])CCCCC2)C1 ZINC000716686441 712569855 /nfs/dbraw/zinc/56/98/55/712569855.db2.gz YEMRAIVAWNVBOG-UHFFFAOYSA-N 1 0 239.319 0.028 10 0 BCAERO C[C@@H](NC1CC(C(N)=O)C1)[C@@H]1CCCC[NH2+]1 ZINC000716686451 712569986 /nfs/dbraw/zinc/56/99/86/712569986.db2.gz YLSQZOOGABVXDW-SFXRXQKFSA-N 1 0 225.336 0.371 10 0 BCAERO C[C@@H]1C[C@H]([NH2+]C2CC(C(N)=O)C2)c2nccn21 ZINC000716684407 712570049 /nfs/dbraw/zinc/57/00/49/712570049.db2.gz MGKMZSNQSUJKQS-WOOKNIGNSA-N 1 0 234.303 0.742 10 0 BCAERO NC(=O)C1CC(NC(=O)[C@@H]([NH3+])c2ccccc2)C1 ZINC000716688276 712570258 /nfs/dbraw/zinc/57/02/58/712570258.db2.gz VXOUBMJQKJDJAN-ILDUYXDCSA-N 1 0 247.298 0.067 10 0 BCAERO NC(=O)C1CC([NH2+][C@@H]2CCCc3n[nH]cc32)C1 ZINC000716705650 712570413 /nfs/dbraw/zinc/57/04/13/712570413.db2.gz KNAARFDDIWDRQZ-SFVIPPHHSA-N 1 0 234.303 0.641 10 0 BCAERO CCO[C@@H]1C[C@@H]([NH2+]C2CC(C(N)=O)C2)[C@H]1OC ZINC000716687817 712570430 /nfs/dbraw/zinc/57/04/30/712570430.db2.gz RYIXLKJDEFJRTH-CUZJRPPFSA-N 1 0 242.319 0.032 10 0 BCAERO CO[C@H]1CCC[C@H]1[NH2+]C1CC(C(N)=O)C1 ZINC000716700270 712570463 /nfs/dbraw/zinc/57/04/63/712570463.db2.gz YHJUBJSZXKBTMG-BMNUFHGDSA-N 1 0 212.293 0.407 10 0 BCAERO CC(C)n1ccnc1C[NH2+]C1CC(C(N)=O)C1 ZINC000716723882 712571027 /nfs/dbraw/zinc/57/10/27/712571027.db2.gz SIZIJFDFPXUDCY-UHFFFAOYSA-N 1 0 236.319 0.818 10 0 BCAERO NC(=O)C1CC([NH2+][C@H]2CCSC2)C1 ZINC000716723023 712571066 /nfs/dbraw/zinc/57/10/66/712571066.db2.gz UWKMBYCQNAALDJ-WTIBDHCWSA-N 1 0 200.307 0.345 10 0 BCAERO Cn1ccc(C[NH2+]C2CC(C(N)=O)C2)c1 ZINC000716731805 712571597 /nfs/dbraw/zinc/57/15/97/712571597.db2.gz PQJPNHYAJMAZNA-UHFFFAOYSA-N 1 0 207.277 0.379 10 0 BCAERO Cn1ncc2c1CCC[C@@H]2[NH2+]C1CC(C(N)=O)C1 ZINC000716732374 712571675 /nfs/dbraw/zinc/57/16/75/712571675.db2.gz RDMNGNKGQSHQIY-AMUVOQDHSA-N 1 0 248.330 0.651 10 0 BCAERO C[C@@H]([NH2+]C1CC(C(N)=O)C1)[C@@H]1CCOC1 ZINC000716740278 712571678 /nfs/dbraw/zinc/57/16/78/712571678.db2.gz INDKWOPAJBOCTB-LGUIWLBCSA-N 1 0 212.293 0.265 10 0 BCAERO NC(=O)C1CC([NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000716731804 712571724 /nfs/dbraw/zinc/57/17/24/712571724.db2.gz PQCPVYDMRXWURI-SALVPMTQSA-N 1 0 208.305 0.886 10 0 BCAERO Cc1cc(CNC(=O)C2CC([NH3+])C2)[nH]n1 ZINC000716756754 712572333 /nfs/dbraw/zinc/57/23/33/712572333.db2.gz WACKNIWGGCBURF-UHFFFAOYSA-N 1 0 208.265 0.072 10 0 BCAERO C[C@@H]1COCCN1C(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000717286886 712645108 /nfs/dbraw/zinc/64/51/08/712645108.db2.gz RQKLFUISGGDODZ-RKDXNWHRSA-N 1 0 248.273 0.479 10 0 BCAERO C[C@H](O)[C@H](O)C[NH2+][C@H]1CCc2c1cccc2O ZINC000717389648 712653614 /nfs/dbraw/zinc/65/36/14/712653614.db2.gz YHGOCEVQMAPKDR-LJUAHTATSA-N 1 0 237.299 0.711 10 0 BCAERO [NH3+]C1CC(CC(=O)N[C@@H]2CCC[C@@H](O)C2)C1 ZINC000718049732 712738661 /nfs/dbraw/zinc/73/86/61/712738661.db2.gz IIYXWIXGPFJRAU-JPPWEJMLSA-N 1 0 226.320 0.534 10 0 BCAERO CN(C[C@@H]1CCCO1)C(=O)CC1CC([NH3+])C1 ZINC000718049336 712738748 /nfs/dbraw/zinc/73/87/48/712738748.db2.gz DXXZWYLUXNXJSY-ILDUYXDCSA-N 1 0 226.320 0.751 10 0 BCAERO C[C@H](NC(=O)CC1CC([NH3+])C1)[C@H]1CCCO1 ZINC000718052034 712739241 /nfs/dbraw/zinc/73/92/41/712739241.db2.gz ZIABWMYSFUCXRQ-IDWGSYCQSA-N 1 0 226.320 0.798 10 0 BCAERO CC[C@H]([NH3+])C(=O)N1CCCC[C@H]1C(=O)OC ZINC000037804406 712761597 /nfs/dbraw/zinc/76/15/97/712761597.db2.gz LTULXDILQDGWOQ-IUCAKERBSA-N 1 0 228.292 0.278 10 0 BCAERO C[C@@H]1CO[C@H](C(=O)N2CCC[C@H]([NH3+])C2)C1 ZINC000718500083 712767183 /nfs/dbraw/zinc/76/71/83/712767183.db2.gz YPRLJXGEEUCCHM-GUBZILKMSA-N 1 0 212.293 0.361 10 0 BCAERO CC[C@@](C)(O)C[N@@H+]1CC[C@H](C2OCCO2)C1 ZINC000719085017 712796360 /nfs/dbraw/zinc/79/63/60/712796360.db2.gz QTHXMGOVCMZYQG-CMPLNLGQSA-N 1 0 229.320 0.842 10 0 BCAERO C[C@H](CC(N)=O)[NH2+]C[C@]12CCC[C@H]1OCC2 ZINC000720290643 712830383 /nfs/dbraw/zinc/83/03/83/712830383.db2.gz QGIAVWMABPBXMY-CKYFFXLPSA-N 1 0 226.320 0.799 10 0 BCAERO C[C@H](C(=O)N1CCC[C@@H]1C[NH3+])[C@H]1CCCO1 ZINC000720538194 712849580 /nfs/dbraw/zinc/84/95/80/712849580.db2.gz CKXIDGCQDSYGIO-HBNTYKKESA-N 1 0 226.320 0.751 10 0 BCAERO C[C@H](C(=O)N[C@@H]1CC[NH2+]C1)[C@@H]1CCCO1 ZINC000720573869 712852826 /nfs/dbraw/zinc/85/28/26/712852826.db2.gz RNMAVDIITCWYLJ-AEJSXWLSSA-N 1 0 212.293 0.280 10 0 BCAERO C[C@@H](NC[C@H]1CCC[NH2+]C1)c1cn(C)nn1 ZINC000720582747 712854713 /nfs/dbraw/zinc/85/47/13/712854713.db2.gz IXBVSSJTGXGBCG-ZJUUUORDSA-N 1 0 223.324 0.465 10 0 BCAERO COC(=O)CCCC[NH2+][C@@H](C)c1cn(C)nn1 ZINC000720589971 712855479 /nfs/dbraw/zinc/85/54/79/712855479.db2.gz FVFNDUJFJVHVNP-VIFPVBQESA-N 1 0 240.307 0.809 10 0 BCAERO Cc1cc(C[NH2+]C(C)(C)CO)c(C)nn1 ZINC000720592226 712855948 /nfs/dbraw/zinc/85/59/48/712855948.db2.gz MOOZFKNYQBRGCY-UHFFFAOYSA-N 1 0 209.293 0.954 10 0 BCAERO C[C@H](N[C@@H](C)[C@H]1CCC[NH2+]1)c1cn(C)nn1 ZINC000720600086 712857082 /nfs/dbraw/zinc/85/70/82/712857082.db2.gz BAFGSUZWXWWARH-LPEHRKFASA-N 1 0 223.324 0.606 10 0 BCAERO [NH3+][C@@H]1CN(c2cnccn2)C[C@H]1C(F)(F)F ZINC000720901312 712876028 /nfs/dbraw/zinc/87/60/28/712876028.db2.gz XZWAVJBQUOVKMR-RNFRBKRXSA-N 1 0 232.209 0.802 10 0 BCAERO C[C@@H](NC(=O)[C@H]1[C@@H]2CC[NH2+]C[C@@H]21)C1CC1 ZINC000720953073 712882093 /nfs/dbraw/zinc/88/20/93/712882093.db2.gz IGZFNCCCGOLAEW-SNXWAXQRSA-N 1 0 208.305 0.757 10 0 BCAERO C[C@@H]1CN(C(=O)[C@H]2[C@@H]3CC[NH2+]C[C@@H]32)C[C@H](C)O1 ZINC000721025021 712887106 /nfs/dbraw/zinc/88/71/06/712887106.db2.gz RCKMFKRCYDIQES-LVEVGFFFSA-N 1 0 238.331 0.478 10 0 BCAERO O=C(NCC[C@@H]1CCCO1)[C@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC000721023882 712887175 /nfs/dbraw/zinc/88/71/75/712887175.db2.gz HNDDDVUCCHAFLB-USZNOCQGSA-N 1 0 238.331 0.527 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1CCNc1ncnc2nc[nH]c21 ZINC000721029381 712887791 /nfs/dbraw/zinc/88/77/91/712887791.db2.gz WBJPQORLYLMMPB-RKDXNWHRSA-N 1 0 246.318 0.962 10 0 BCAERO CC[NH2+]C[C@@H](C)c1n[nH]nc1C(=O)OCC ZINC000685955047 538899701 /nfs/dbraw/zinc/89/97/01/538899701.db2.gz ZKEPBZIUTLZMGF-SSDOTTSWSA-N 1 0 226.280 0.694 10 0 BCAERO CC[NH2+]CC[C@@H](CO)[C@H]1CCS(=O)(=O)C1 ZINC000685963603 538910469 /nfs/dbraw/zinc/91/04/69/538910469.db2.gz UASIUXHOPNNDEL-UWVGGRQHSA-N 1 0 235.349 0.029 10 0 BCAERO CNCC(F)(F)CN1CCOC[C@H]1C ZINC000685957025 538903463 /nfs/dbraw/zinc/90/34/63/538903463.db2.gz KMMRYASZQPEKJW-MRVPVSSYSA-N 1 0 208.252 0.562 10 0 BCAERO COCC[NH2+]CC[C@H](CO)[C@@H]1CCOC1 ZINC000685961841 538908808 /nfs/dbraw/zinc/90/88/08/538908808.db2.gz WXNWOHOADPJWPR-GHMZBOCLSA-N 1 0 217.309 0.258 10 0 BCAERO CC(C)[C@]1(CO)C[C@H]1C[NH+]1CCOCC1 ZINC000685961938 538908963 /nfs/dbraw/zinc/90/89/63/538908963.db2.gz YPIOPHNRUCHRKN-NWDGAFQWSA-N 1 0 213.321 0.973 10 0 BCAERO Cc1cc(C)n(C[C@@H]2CCC[NH2+]C2)c(=O)n1 ZINC000043493763 177929353 /nfs/dbraw/zinc/92/93/53/177929353.db2.gz BJNKPGSXCFADSF-LLVKDONJSA-N 1 0 221.304 0.860 10 0 BCAERO CC(C)[C@@]1(CO)C[C@H]1C[NH+]1CCOCC1 ZINC000685961939 538909095 /nfs/dbraw/zinc/90/90/95/538909095.db2.gz YPIOPHNRUCHRKN-RYUDHWBXSA-N 1 0 213.321 0.973 10 0 BCAERO Cc1cc(C)n(C[C@H]2CCC[NH2+]2)c(=O)n1 ZINC000043495966 177929798 /nfs/dbraw/zinc/92/97/98/177929798.db2.gz WWLHUOYUMDRTFS-SNVBAGLBSA-N 1 0 207.277 0.612 10 0 BCAERO CC1(C)OC[C@@H]([C@H](CO)CC[NH2+]C2CC2)O1 ZINC000685963049 538909647 /nfs/dbraw/zinc/90/96/47/538909647.db2.gz FNLHHMSANMVLNX-ONGXEEELSA-N 1 0 229.320 0.889 10 0 BCAERO C[NH2+]CC[C@@H](CO)[C@H]1COC(C)(C)O1 ZINC000685963303 538909686 /nfs/dbraw/zinc/90/96/86/538909686.db2.gz LQIGMTYRKAGTKT-DTWKUNHWSA-N 1 0 203.282 0.356 10 0 BCAERO O=S1(=O)CC[C@@H]([C@H](CO)CC[NH2+]C2CC2)C1 ZINC000685963448 538910261 /nfs/dbraw/zinc/91/02/61/538910261.db2.gz OORHLFSNROLSIF-VHSXEESVSA-N 1 0 247.360 0.172 10 0 BCAERO c1nnn([C@@H]2CC[NH2+]C2)c1-c1ccncc1 ZINC000685952249 538896358 /nfs/dbraw/zinc/89/63/58/538896358.db2.gz BWWRUAFOXAGGLN-SNVBAGLBSA-N 1 0 215.260 0.875 10 0 BCAERO COC(=O)c1n[nH]nc1[C@H]1CC[NH2+][C@H]1C ZINC000685952559 538896379 /nfs/dbraw/zinc/89/63/79/538896379.db2.gz ATMUGGAZOKZWSL-WDSKDSINSA-N 1 0 210.237 0.057 10 0 BCAERO c1nnn([C@H]2CC[NH2+]C2)c1-c1ccncc1 ZINC000685952248 538896577 /nfs/dbraw/zinc/89/65/77/538896577.db2.gz BWWRUAFOXAGGLN-JTQLQIEISA-N 1 0 215.260 0.875 10 0 BCAERO Cn1ncc(Cl)c1[C@H]1C[C@@H]([NH3+])CO1 ZINC000575508929 398138206 /nfs/dbraw/zinc/13/82/06/398138206.db2.gz QSIZOPXUICFVLP-IYSWYEEDSA-N 1 0 201.657 0.862 10 0 BCAERO C[C@H](C(N)=[NH2+])N1CCSC[C@H](C)C1 ZINC000307361806 398138417 /nfs/dbraw/zinc/13/84/17/398138417.db2.gz HZXCLSCTFSWIEO-HTQZYQBOSA-N 1 0 201.339 0.996 10 0 BCAERO CN(C)c1ccc(NC(=O)[C@H]2CC[NH2+]C2)cn1 ZINC000062113566 349438462 /nfs/dbraw/zinc/43/84/62/349438462.db2.gz LFVLNBXRDYKQET-VIFPVBQESA-N 1 0 234.303 0.696 10 0 BCAERO CC(C)S(=O)(=O)NC[C@@H]1C[C@@H]2C[C@H]([NH3+])[C@@H]2C1 ZINC000675074334 538915319 /nfs/dbraw/zinc/91/53/19/538915319.db2.gz ZZARVPOJTWIFQU-DBIOUOCHSA-N 1 0 246.376 0.688 10 0 BCAERO CCN1CCO[C@@H](C[NH2+]Cc2ccn(C)c2)C1 ZINC000161376692 538915329 /nfs/dbraw/zinc/91/53/29/538915329.db2.gz OVJHISNNFAJMES-ZDUSSCGKSA-N 1 0 237.347 0.835 10 0 BCAERO CCC[C@H](C(=O)N[C@@H]1CCC[C@H]1O)[NH+](C)C ZINC000245737695 398141391 /nfs/dbraw/zinc/14/13/91/398141391.db2.gz DJWCSWSCVYORPB-GMTAPVOTSA-N 1 0 228.336 0.746 10 0 BCAERO C[C@@H]1C[C@H](C(=O)N2CCC[C@H]2C[NH3+])CCO1 ZINC000257672624 349471026 /nfs/dbraw/zinc/47/10/26/349471026.db2.gz GXPPVVRGCHHMPD-MXWKQRLJSA-N 1 0 226.320 0.751 10 0 BCAERO C[C@@H]1C[C@@H](C(=O)N2CCC[C@H]2C[NH3+])CCO1 ZINC000257672627 349471198 /nfs/dbraw/zinc/47/11/98/349471198.db2.gz GXPPVVRGCHHMPD-VWYCJHECSA-N 1 0 226.320 0.751 10 0 BCAERO CCC(CC)(C[NH3+])NC(=O)[C@@H](C)COC ZINC000236762082 168323936 /nfs/dbraw/zinc/32/39/36/168323936.db2.gz DOTVPANDSVEORF-VIFPVBQESA-N 1 0 216.325 0.903 10 0 BCAERO CCC(CC)(CO)CNC(=O)C[NH2+]C ZINC000193930751 168326391 /nfs/dbraw/zinc/32/63/91/168326391.db2.gz JPLJRIUUAMQWCN-UHFFFAOYSA-N 1 0 202.298 0.121 10 0 BCAERO O=C(C[N@H+]1CC[C@@H](CCO)C1)N1CCCC1 ZINC000161626827 349478223 /nfs/dbraw/zinc/47/82/23/349478223.db2.gz IQWVPKMCDLGWNR-NSHDSACASA-N 1 0 226.320 0.313 10 0 BCAERO CC(C)[C@H]([NH3+])C(=O)NCCSCCCO ZINC000226683959 187321769 /nfs/dbraw/zinc/32/17/69/187321769.db2.gz YHGFFNDCDWZSJA-VIFPVBQESA-N 1 0 234.365 0.202 10 0 BCAERO CC(C)(O)C[NH2+][C@@H](CO)Cc1ccccc1 ZINC000063219325 349509017 /nfs/dbraw/zinc/50/90/17/349509017.db2.gz XIXJUWYPAHFAQK-GFCCVEGCSA-N 1 0 223.316 0.951 10 0 BCAERO C[C@H](Nc1nnnn1C)[C@H]1CCC[NH2+]C1 ZINC000062939405 349502627 /nfs/dbraw/zinc/50/26/27/349502627.db2.gz HOAQZMRDAQCLEH-YUMQZZPRSA-N 1 0 210.285 0.010 10 0 BCAERO Cc1cc(CNC(=O)[C@@H]2CC[NH2+]C2)no1 ZINC000062116634 178013697 /nfs/dbraw/zinc/01/36/97/178013697.db2.gz KKJCJRRGEVASPM-MRVPVSSYSA-N 1 0 209.249 0.209 10 0 BCAERO Cc1cc(C[NH2+]C2CCS(=O)CC2)on1 ZINC000044987507 178019501 /nfs/dbraw/zinc/01/95/01/178019501.db2.gz NBKQDVHLKARGBB-UHFFFAOYSA-N 1 0 228.317 0.984 10 0 BCAERO CCc1nnc(-n2cnc(C[NH3+])c2)s1 ZINC000300727810 398159732 /nfs/dbraw/zinc/15/97/32/398159732.db2.gz GUUGBPLJWOCFTN-UHFFFAOYSA-N 1 0 209.278 0.745 10 0 BCAERO CC[C@](C)([NH3+])C1CCS(=O)(=O)CC1 ZINC000575517139 398173942 /nfs/dbraw/zinc/17/39/42/398173942.db2.gz GFUROCXBXAZNDG-VIFPVBQESA-N 1 0 205.323 0.939 10 0 BCAERO O[C@@H]1CCC[C@H](C[N@@H+]2CCC[C@@H](O)C2)C1 ZINC000379880148 398175150 /nfs/dbraw/zinc/17/51/50/398175150.db2.gz VICPFRHNHIISBY-QJPTWQEYSA-N 1 0 213.321 0.994 10 0 BCAERO Cc1cc(Cl)nc(N2CC[C@@H]([NH3+])C2)n1 ZINC000095068904 178070994 /nfs/dbraw/zinc/07/09/94/178070994.db2.gz MCLOMIJKHQCZFF-SSDOTTSWSA-N 1 0 212.684 0.976 10 0 BCAERO Cc1cc(Cl)nc([S@@](=O)[C@H]2CC[NH2+]C2)n1 ZINC000095069386 178072603 /nfs/dbraw/zinc/07/26/03/178072603.db2.gz XRJHCMSYATZNTC-NZFNHWASSA-N 1 0 245.735 0.908 10 0 BCAERO C[C@@H]1CCC[N@@H+]([C@H](C[NH3+])C(=O)[O-])CC1 ZINC000252120225 398185581 /nfs/dbraw/zinc/18/55/81/398185581.db2.gz JFIZPSSDBWAHLL-RKDXNWHRSA-N 1 0 200.282 0.520 10 0 BCAERO Cc1cc(F)ccc1S(=O)(=O)CC[NH3+] ZINC000011896417 178091334 /nfs/dbraw/zinc/09/13/34/178091334.db2.gz JDYSXCLJMSMRPD-UHFFFAOYSA-N 1 0 217.265 0.867 10 0 BCAERO COCCCNC(=O)[C@H](C)[NH2+][C@@H]1CCO[C@@H]1C ZINC000149595865 192026819 /nfs/dbraw/zinc/02/68/19/192026819.db2.gz FFKMAZZRNZQVTQ-HBNTYKKESA-N 1 0 244.335 0.295 10 0 BCAERO Cc1cc(N(C)C[C@@H](C)C(N)=[NH2+])n2ncnc2n1 ZINC000042459913 178098800 /nfs/dbraw/zinc/09/88/00/178098800.db2.gz PDAFMEAWQIWXPX-SSDOTTSWSA-N 1 0 247.306 0.441 10 0 BCAERO CO[C@H](C[NH3+])C(=O)N(C)[C@@H]1CCC[C@H](C)C1 ZINC000261598086 536554738 /nfs/dbraw/zinc/55/47/38/536554738.db2.gz ZKJPEJFPCPTZGB-HBNTYKKESA-N 1 0 228.336 0.997 10 0 BCAERO Cc1cc(N(CC[NH3+])C(C)C)n2ncnc2n1 ZINC000053706416 178102219 /nfs/dbraw/zinc/10/22/19/178102219.db2.gz TUMFIPJHCQYXNY-UHFFFAOYSA-N 1 0 234.307 0.606 10 0 BCAERO Cc1c[nH]nc1[C@@H](C[NH3+])C1(CO)CCC1 ZINC000536954128 398197967 /nfs/dbraw/zinc/19/79/67/398197967.db2.gz ONJOCLKONDPYLQ-SECBINFHSA-N 1 0 209.293 0.923 10 0 BCAERO Cc1c([C@H]2[C@@H](C[NH3+])CC(=O)N2C)cnn1C ZINC000309520225 136218993 /nfs/dbraw/zinc/21/89/93/136218993.db2.gz XYIGPQJPHDFMQC-LDYMZIIASA-N 1 0 222.292 0.207 10 0 BCAERO Cc1cc(N2CC[C@H]([NH3+])C2)nc(Cl)n1 ZINC000073734831 178118912 /nfs/dbraw/zinc/11/89/12/178118912.db2.gz BNZHEPASHSUPEJ-ZETCQYMHSA-N 1 0 212.684 0.976 10 0 BCAERO Cc1cc(N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)nc(C)n1 ZINC000153142300 178122477 /nfs/dbraw/zinc/12/24/77/178122477.db2.gz OZRYXALLWWNCOI-VXGBXAGGSA-N 1 0 248.330 0.613 10 0 BCAERO Cc1cc(NC(=O)CN2CCC[C@H]2C[NH3+])on1 ZINC000123465722 178129407 /nfs/dbraw/zinc/12/94/07/178129407.db2.gz RUEXOTYOZPGMHH-VIFPVBQESA-N 1 0 238.291 0.345 10 0 BCAERO CCC[C@H](NC(=O)C[C@H]([NH3+])C(C)C)C(N)=O ZINC000380761012 398207547 /nfs/dbraw/zinc/20/75/47/398207547.db2.gz WFIHPXDTQDBKPA-IUCAKERBSA-N 1 0 229.324 0.130 10 0 BCAERO CCC[C@H](NC(=O)C[C@@H]([NH3+])C(C)C)C(N)=O ZINC000380761008 398207988 /nfs/dbraw/zinc/20/79/88/398207988.db2.gz WFIHPXDTQDBKPA-BDAKNGLRSA-N 1 0 229.324 0.130 10 0 BCAERO Cc1ccccc1CN(C)[C@H]1C[NH2+]C[C@@H]1O ZINC000082524435 136221603 /nfs/dbraw/zinc/22/16/03/136221603.db2.gz OVMJVTIOFIVLED-STQMWFEESA-N 1 0 220.316 0.760 10 0 BCAERO CN(Cc1ccc(F)cc1)[C@H]1C[NH2+]C[C@@H]1O ZINC000082524457 136221617 /nfs/dbraw/zinc/22/16/17/136221617.db2.gz CTIUQNSMIGQZEK-RYUDHWBXSA-N 1 0 224.279 0.590 10 0 BCAERO Cc1cc(NC(=O)[C@@H]2CCC[NH2+]C2)on1 ZINC000019409472 178144885 /nfs/dbraw/zinc/14/48/85/178144885.db2.gz LGSGTWZKVHAVTR-MRVPVSSYSA-N 1 0 209.249 0.921 10 0 BCAERO CCC(CC)CN(CC(=O)OC)C(=O)[C@@H](C)[NH3+] ZINC000037812170 168348122 /nfs/dbraw/zinc/34/81/22/168348122.db2.gz GONPTIJTNKYFAR-SECBINFHSA-N 1 0 244.335 0.771 10 0 BCAERO C[NH2+]Cc1cn(C)nc1Br ZINC000606278867 538930242 /nfs/dbraw/zinc/93/02/42/538930242.db2.gz SFRISSLJJULBPM-UHFFFAOYSA-N 1 0 204.071 0.902 10 0 BCAERO CSC[C@H](C)NC(=O)C1(C[NH3+])CCOCC1 ZINC000127648739 398222469 /nfs/dbraw/zinc/22/24/69/398222469.db2.gz PVKSUOWXNNQZSW-VIFPVBQESA-N 1 0 246.376 0.610 10 0 BCAERO CCC(CC)C[N@@H+]1CCC[C@@](O)(C(N)=O)C1 ZINC000367488355 168350789 /nfs/dbraw/zinc/35/07/89/168350789.db2.gz ADUGOOKCOUICRF-LBPRGKRZSA-N 1 0 228.336 0.735 10 0 BCAERO Cc1nn(C[C@](C)([NH3+])C(N)=O)cc1Cl ZINC000070704290 361741364 /nfs/dbraw/zinc/74/13/64/361741364.db2.gz MJFWPCHVXKSTPX-QMMMGPOBSA-N 1 0 216.672 0.048 10 0 BCAERO Cc1nn(C[C@@](C)([NH3+])C(N)=O)cc1Cl ZINC000070704291 361741764 /nfs/dbraw/zinc/74/17/64/361741764.db2.gz MJFWPCHVXKSTPX-MRVPVSSYSA-N 1 0 216.672 0.048 10 0 BCAERO C[C@@H]([NH3+])C(=O)N1CCSCC[C@H]1C ZINC000306642181 361758300 /nfs/dbraw/zinc/75/83/00/361758300.db2.gz RYBCUNNJBIFKGM-HTQZYQBOSA-N 1 0 202.323 0.688 10 0 BCAERO Cc1cc(SC[C@](C)([NH3+])C(N)=O)n(C)n1 ZINC000052312271 178217828 /nfs/dbraw/zinc/21/78/28/178217828.db2.gz XMVHTNOJOKXZDR-VIFPVBQESA-N 1 0 228.321 0.023 10 0 BCAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]Cc1ncc[nH]1 ZINC000336774231 398235047 /nfs/dbraw/zinc/23/50/47/398235047.db2.gz ZKAKTOCQQHPTHA-YUMQZZPRSA-N 1 0 208.265 0.166 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N1CCc2n[nH]cc2C1 ZINC000334908561 398237257 /nfs/dbraw/zinc/23/72/57/398237257.db2.gz FKTDODBAQQXJSW-VIFPVBQESA-N 1 0 222.292 0.422 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)N1CCc2n[nH]cc2C1 ZINC000334908559 398237701 /nfs/dbraw/zinc/23/77/01/398237701.db2.gz FKTDODBAQQXJSW-SECBINFHSA-N 1 0 222.292 0.422 10 0 BCAERO Cc1cc2c(N3C[C@H]([NH3+])[C@@H](C)C3)nccn2n1 ZINC000235726848 178279688 /nfs/dbraw/zinc/27/96/88/178279688.db2.gz WHFMXTAJJKAXOG-WPRPVWTQSA-N 1 0 231.303 0.821 10 0 BCAERO C[C@@H]([NH3+])CNc1ccc(S(C)(=O)=O)cc1F ZINC000381254799 398244378 /nfs/dbraw/zinc/24/43/78/398244378.db2.gz PPTWYYLXHGEYTI-SSDOTTSWSA-N 1 0 246.307 0.988 10 0 BCAERO C[C@H]1C[C@@H](CNC(=O)[C@H]2CC[NH2+]C2)CCO1 ZINC000576581906 365624172 /nfs/dbraw/zinc/62/41/72/365624172.db2.gz OATUCAWQUJIJMX-DCAQKATOSA-N 1 0 226.320 0.527 10 0 BCAERO C[C@H]1CN(c2cncc(Cl)n2)C[C@@H]1[NH3+] ZINC000235695109 398252142 /nfs/dbraw/zinc/25/21/42/398252142.db2.gz LCRGGZKHNYQQEK-BQBZGAKWSA-N 1 0 212.684 0.913 10 0 BCAERO CCC(CC)N(C)C(=O)[C@@H](C)N1CC[NH2+]CC1 ZINC000036789588 168367467 /nfs/dbraw/zinc/36/74/67/168367467.db2.gz NOKOZPCLCFQHAO-LLVKDONJSA-N 1 0 241.379 0.927 10 0 BCAERO CN1CCC[C@H]1C[N@@H+]1CC[C@H](CCO)C1 ZINC000386340645 398264581 /nfs/dbraw/zinc/26/45/81/398264581.db2.gz RSIKJLZHGIWZAF-NEPJUHHUSA-N 1 0 212.337 0.785 10 0 BCAERO C[C@@H]1COC[C@H](C2C(=O)CCCC2=O)[NH2+]1 ZINC000230796250 538951017 /nfs/dbraw/zinc/95/10/17/538951017.db2.gz PNEUSCRZCTXTFY-HTQZYQBOSA-N 1 0 211.261 0.302 10 0 BCAERO CCC(CC)[N@H+](CCO)[C@H](C)C(N)=O ZINC000050107172 168374577 /nfs/dbraw/zinc/37/45/77/168374577.db2.gz MLOJERLYOWXBRW-MRVPVSSYSA-N 1 0 202.298 0.343 10 0 BCAERO CCC(CC)N(CCO)C(=O)[C@@]1(C)CC[NH2+]C1 ZINC000062901984 168374863 /nfs/dbraw/zinc/37/48/63/168374863.db2.gz NVSYBYIESSHUEA-ZDUSSCGKSA-N 1 0 242.363 0.996 10 0 BCAERO COc1cc(C)nc(N[C@H](C)[C@H](C)[NH3+])n1 ZINC000381662968 398268938 /nfs/dbraw/zinc/26/89/38/398268938.db2.gz ARCZUWGNKRFDGL-JGVFFNPUSA-N 1 0 210.281 0.941 10 0 BCAERO Cc1n[nH]cc1[C@@H](C)[NH2+][C@H]1CCc2ncnn2C1 ZINC000180853364 538959168 /nfs/dbraw/zinc/95/91/68/538959168.db2.gz CVGWGSXDJZNBKS-SCZZXKLOSA-N 1 0 246.318 0.975 10 0 BCAERO [NH3+][C@H]1C[C@H]1NC(=O)c1[nH]ncc1Br ZINC000306651438 361856807 /nfs/dbraw/zinc/85/68/07/361856807.db2.gz SHDSVURPHHUYBQ-CRCLSJGQSA-N 1 0 245.080 0.002 10 0 BCAERO [NH3+][C@@H]1CC[C@@H](C(=O)NCc2ccno2)C1 ZINC000231893542 342743338 /nfs/dbraw/zinc/74/33/38/342743338.db2.gz OUFWAPATHYJBHG-HTQZYQBOSA-N 1 0 209.249 0.418 10 0 BCAERO N#Cc1ccc2c(c1)C[C@@H](N1CC[NH2+]CC1)C2 ZINC000144743746 342749037 /nfs/dbraw/zinc/74/90/37/342749037.db2.gz HVFCPSZDUUEFIO-AWEZNQCLSA-N 1 0 227.311 0.931 10 0 BCAERO CCC(CC)NC(=O)[C@H](C)N1C[C@H](C)[C@H]([NH3+])C1 ZINC000300047945 168383635 /nfs/dbraw/zinc/38/36/35/168383635.db2.gz GCXSOCWKQAQVJQ-JBLDHEPKSA-N 1 0 241.379 0.959 10 0 BCAERO CC[S@@](=O)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000306657109 361867427 /nfs/dbraw/zinc/86/74/27/361867427.db2.gz JMTPVULFRDWCBB-ISVAXAHUSA-N 1 0 204.339 0.729 10 0 BCAERO CC(C)[C@H](C(=O)N[C@@H](C)C(=O)N(C)C)[C@@H](C)[NH3+] ZINC000399572163 342739346 /nfs/dbraw/zinc/73/93/46/342739346.db2.gz KMWMPJRAOFGAOA-UTLUCORTSA-N 1 0 243.351 0.199 10 0 BCAERO CNC(=O)[C@H]([NH2+]C[C@H](O)COC(C)C)C(C)C ZINC000183647902 538967410 /nfs/dbraw/zinc/96/74/10/538967410.db2.gz QEFCJWXSLCYOEO-WDEREUQCSA-N 1 0 246.351 0.133 10 0 BCAERO CNC(=O)[C@H]([NH2+]C[C@@H](O)COC(C)C)C(C)C ZINC000183647937 538967506 /nfs/dbraw/zinc/96/75/06/538967506.db2.gz QEFCJWXSLCYOEO-GHMZBOCLSA-N 1 0 246.351 0.133 10 0 BCAERO CNC(=O)[C@H]([NH2+]CCC(=O)NC(C)C)C(C)C ZINC000183679146 538967774 /nfs/dbraw/zinc/96/77/74/538967774.db2.gz AKADYLSCEMHTSP-LLVKDONJSA-N 1 0 243.351 0.261 10 0 BCAERO Nc1ncccc1Cn1ccsc1=O ZINC000070914968 361881298 /nfs/dbraw/zinc/88/12/98/361881298.db2.gz ITYNTYBMWHWMIE-UHFFFAOYSA-N 1 0 207.258 0.935 10 0 BCAERO [NH3+]CCCCc1cccc(OC[C@@H](O)CO)c1 ZINC000035898512 342801106 /nfs/dbraw/zinc/80/11/06/342801106.db2.gz CPZCOBINJCXRRQ-LBPRGKRZSA-N 1 0 239.315 0.700 10 0 BCAERO [NH3+]Cc1ccc(F)cc1-n1cc(CO)nn1 ZINC000164838278 342811751 /nfs/dbraw/zinc/81/17/51/342811751.db2.gz LRYIOKYLRCCJJW-UHFFFAOYSA-N 1 0 222.223 0.357 10 0 BCAERO [NH3+][C@@H]1CC[C@H](C(=O)N2CCC(CCO)CC2)C1 ZINC000401001668 398288419 /nfs/dbraw/zinc/28/84/19/398288419.db2.gz BRMLYYXEMOXMAH-NWDGAFQWSA-N 1 0 240.347 0.735 10 0 BCAERO Oc1cccc(S[C@@H]2C[NH2+]C[C@H]2O)c1 ZINC000127054419 342820037 /nfs/dbraw/zinc/82/00/37/342820037.db2.gz HVZFPQBLPSTLQG-NXEZZACHSA-N 1 0 211.286 0.817 10 0 BCAERO CC(C)S(=O)(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000069683816 342807559 /nfs/dbraw/zinc/80/75/59/342807559.db2.gz KIAYFGOKTGTUEG-SECBINFHSA-N 1 0 220.338 0.456 10 0 BCAERO C[C@H]1COCCN1C[C@@H]1CSCC[NH2+]1 ZINC000127063200 342828232 /nfs/dbraw/zinc/82/82/32/342828232.db2.gz CBDRZEPTNUVNAX-VHSXEESVSA-N 1 0 216.350 0.412 10 0 BCAERO CC(C)(C)[C@H](O)C[N@@H+]1CCOC[C@H]1CO ZINC000379931457 538982159 /nfs/dbraw/zinc/98/21/59/538982159.db2.gz WFOWSAWKMRZKCW-NXEZZACHSA-N 1 0 217.309 0.087 10 0 BCAERO CC[N@@H+]1C[C@H](C)[C@H](NCc2cc[nH]n2)C1 ZINC000379927768 538982212 /nfs/dbraw/zinc/98/22/12/538982212.db2.gz MLCLGDBWUAUIGL-GXSJLCMTSA-N 1 0 208.309 0.840 10 0 BCAERO OCCN1CCC[C@H]([NH2+]CC2(F)CC2)C1 ZINC000379980665 538983214 /nfs/dbraw/zinc/98/32/14/538983214.db2.gz HDJDHSPAUIXVOI-JTQLQIEISA-N 1 0 216.300 0.535 10 0 BCAERO CCN1C[C@H]([NH2+][C@@H](C)CS(C)(=O)=O)[C@@H](C)C1 ZINC000381742783 539006314 /nfs/dbraw/zinc/00/63/14/539006314.db2.gz PGVCXTFDPXABOF-DCAQKATOSA-N 1 0 248.392 0.349 10 0 BCAERO [NH3+]C1CN(C(=O)C2CCSCC2)C1 ZINC000401582169 342839257 /nfs/dbraw/zinc/83/92/57/342839257.db2.gz KSVFQVQZYVZDDN-UHFFFAOYSA-N 1 0 200.307 0.299 10 0 BCAERO C[C@H](CCCCO)[NH2+]C[C@H]1CN(C)CCO1 ZINC000381035065 538994765 /nfs/dbraw/zinc/99/47/65/538994765.db2.gz BDLAULDVTANXSC-NEPJUHHUSA-N 1 0 230.352 0.458 10 0 BCAERO C[C@@H]1OCC[C@H]1[NH2+][C@H]1CCc2nccn2C1 ZINC000381201010 538996312 /nfs/dbraw/zinc/99/63/12/538996312.db2.gz FINXDGAQCBUJQM-GARJFASQSA-N 1 0 221.304 0.965 10 0 BCAERO CC1(C)CN(C(=O)[C@@H]2CCOC2)C[C@H]1[NH3+] ZINC000388060864 539014579 /nfs/dbraw/zinc/01/45/79/539014579.db2.gz LYMQFEBKVNDGIZ-RKDXNWHRSA-N 1 0 212.293 0.219 10 0 BCAERO CC1(C)CN(C(=O)[C@H]2CCOC2)C[C@@H]1[NH3+] ZINC000388060863 539014739 /nfs/dbraw/zinc/01/47/39/539014739.db2.gz LYMQFEBKVNDGIZ-IUCAKERBSA-N 1 0 212.293 0.219 10 0 BCAERO CN(CCC[NH+](C)C)CC(F)(F)CN ZINC000389310992 539015954 /nfs/dbraw/zinc/01/59/54/539015954.db2.gz OWHHXISGEANMGH-UHFFFAOYSA-N 1 0 209.284 0.464 10 0 BCAERO CC[N@H+](C)C[C@H](O)Cn1cc(Cl)c(N)n1 ZINC000389672018 539017250 /nfs/dbraw/zinc/01/72/50/539017250.db2.gz WOJZIAIFWDUDGB-ZETCQYMHSA-N 1 0 232.715 0.262 10 0 BCAERO CC(C)[C@@H]([NH3+])C(=O)N1CCN(C)[C@@H](C)C1 ZINC000082484611 259323280 /nfs/dbraw/zinc/32/32/80/259323280.db2.gz KEYAYXXXNNZSDU-VHSXEESVSA-N 1 0 213.325 0.132 10 0 BCAERO COC[C@H](C)[NH2+]CC(=O)Nc1nncs1 ZINC000389910010 539018204 /nfs/dbraw/zinc/01/82/04/539018204.db2.gz IQJCIWWOUSLZQO-LURJTMIESA-N 1 0 230.293 0.101 10 0 BCAERO COC[C@@H](C)[NH2+]CC(=O)Nc1nncs1 ZINC000389910012 539018248 /nfs/dbraw/zinc/01/82/48/539018248.db2.gz IQJCIWWOUSLZQO-ZCFIWIBFSA-N 1 0 230.293 0.101 10 0 BCAERO C[C@@H](C[NH3+])S(=O)(=O)c1cccs1 ZINC000011896607 342844339 /nfs/dbraw/zinc/84/43/39/342844339.db2.gz RBHCSBKYMWVUCK-LURJTMIESA-N 1 0 205.304 0.869 10 0 BCAERO Cc1cnn(CCNC(=O)CC[NH2+]C(C)C)c1 ZINC000232656013 342869256 /nfs/dbraw/zinc/86/92/56/342869256.db2.gz NYBCPYDYSBYBNY-UHFFFAOYSA-N 1 0 238.335 0.696 10 0 BCAERO C[NH2+][C@H]1CSC[C@@H]1Cc1ccn(C)n1 ZINC000134590194 342871463 /nfs/dbraw/zinc/87/14/63/342871463.db2.gz OSYMUJBTKXXVMI-WPRPVWTQSA-N 1 0 211.334 0.914 10 0 BCAERO C[NH2+][C@@H]1CSC[C@@H]1Cc1ccn(C)n1 ZINC000134590170 342871492 /nfs/dbraw/zinc/87/14/92/342871492.db2.gz OSYMUJBTKXXVMI-WCBMZHEXSA-N 1 0 211.334 0.914 10 0 BCAERO C[NH2+][C@H]1CSC[C@H]1Cc1ncnn1C ZINC000134596603 342872759 /nfs/dbraw/zinc/87/27/59/342872759.db2.gz HNDDYQJBLHOTDQ-SFYZADRCSA-N 1 0 212.322 0.309 10 0 BCAERO [NH3+]CCN1CCC[C@@H](c2ccncn2)C1 ZINC000308929416 342877204 /nfs/dbraw/zinc/87/72/04/342877204.db2.gz DWSWIMJYFQDDPR-SNVBAGLBSA-N 1 0 206.293 0.615 10 0 BCAERO C=CC(=O)NC(C)(C)CN1CCOCC1 ZINC000308607739 342857819 /nfs/dbraw/zinc/85/78/19/342857819.db2.gz VBFFUONCQWYCJE-UHFFFAOYSA-N 1 0 212.293 0.399 10 0 BCAERO C[C@H]1[NH2+]CC[C@@H]1C(=O)NOC(C)(C)C ZINC000134507753 342859549 /nfs/dbraw/zinc/85/95/49/342859549.db2.gz SNJJGRIBLPGTKF-SFYZADRCSA-N 1 0 200.282 0.831 10 0 BCAERO CCC[C@H]([NH3+])C(=O)NCC[N@H+](CC)C1CC1 ZINC000167205268 136244951 /nfs/dbraw/zinc/24/49/51/136244951.db2.gz OBRQFLCSTXCIER-NSHDSACASA-N 1 0 227.352 0.714 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N1CCOC[C@@H]1C ZINC000036873298 342911947 /nfs/dbraw/zinc/91/19/47/342911947.db2.gz QJNDARATJLAHDN-IUCAKERBSA-N 1 0 200.282 0.361 10 0 BCAERO CN(Cc1c[nH]cn1)C[C@H]1CCC[NH2+]C1 ZINC000234357745 342921809 /nfs/dbraw/zinc/92/18/09/342921809.db2.gz OFZJHQGMAOMFNS-JTQLQIEISA-N 1 0 208.309 0.841 10 0 BCAERO CCN(C)c1nc[nH+]c(NN)c1Br ZINC000233991940 342924364 /nfs/dbraw/zinc/92/43/64/342924364.db2.gz HFAGHUYTLHZHFU-UHFFFAOYSA-N 1 0 246.112 0.981 10 0 BCAERO CS[C@H]1C[NH2+]C[C@@H]1N1CCSCC1 ZINC000134896602 342920642 /nfs/dbraw/zinc/92/06/42/342920642.db2.gz IRNFPNQQZNSREC-IUCAKERBSA-N 1 0 218.391 0.739 10 0 BCAERO COC(=O)CCNC[C@H]1CCCC[NH2+]1 ZINC000234537215 342930113 /nfs/dbraw/zinc/93/01/13/342930113.db2.gz WCCFVADIXVIMKB-SECBINFHSA-N 1 0 200.282 0.281 10 0 BCAERO C[C@@H](NC(=O)C[C@H](C)[NH3+])[C@@H]1CCCO1 ZINC000037476264 398327576 /nfs/dbraw/zinc/32/75/76/398327576.db2.gz DCLQYKXGXZOPJF-YIZRAAEISA-N 1 0 200.282 0.407 10 0 BCAERO C[NH2+]CCCC(=O)N[C@H]1CCC[C@H](O)C1 ZINC000037477819 398328193 /nfs/dbraw/zinc/32/81/93/398328193.db2.gz NYCJZDQSFFRUJB-UWVGGRQHSA-N 1 0 214.309 0.406 10 0 BCAERO O=C(C[NH2+]CC1CC1)N[C@@H]1CCC[C@@H](O)C1 ZINC000037478448 398328464 /nfs/dbraw/zinc/32/84/64/398328464.db2.gz GIDFOASYNRGXPC-GHMZBOCLSA-N 1 0 226.320 0.406 10 0 BCAERO COCCCC(=O)N1C[C@H](C)[C@H]([NH3+])C1 ZINC000234668652 342935722 /nfs/dbraw/zinc/93/57/22/342935722.db2.gz WXLLFETZDGWXML-DTWKUNHWSA-N 1 0 200.282 0.219 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)NCC[C@H]1CCCO1 ZINC000038097058 398335986 /nfs/dbraw/zinc/33/59/86/398335986.db2.gz RILGRFDEBGFVBY-NXEZZACHSA-N 1 0 214.309 0.799 10 0 BCAERO [NH3+]C1CCC(C(=O)N[C@H]2CCC[C@@H](O)C2)CC1 ZINC000037626653 398333299 /nfs/dbraw/zinc/33/32/99/398333299.db2.gz RLNHAKBVNSDQDO-MMVSWEMESA-N 1 0 240.347 0.924 10 0 BCAERO COCCCNC(=O)C1CCC([NH3+])CC1 ZINC000037481913 342938106 /nfs/dbraw/zinc/93/81/06/342938106.db2.gz COANDOUVBWJMLY-UHFFFAOYSA-N 1 0 214.309 0.657 10 0 BCAERO CC[C@H]1CN(C(=O)C(C)C)CC[N@@H+]1C[C@H](C)O ZINC000246920131 342938973 /nfs/dbraw/zinc/93/89/73/342938973.db2.gz QPCSLGXFYLASPV-RYUDHWBXSA-N 1 0 242.363 0.946 10 0 BCAERO C[C@H]1NC(=O)CC[C@@H]1[NH2+]CCc1ccccn1 ZINC000392850506 398335642 /nfs/dbraw/zinc/33/56/42/398335642.db2.gz DXSXZQRWCIYFPB-PWSUYJOCSA-N 1 0 233.315 0.881 10 0 BCAERO C[C@H]1[C@@H](O)CCC[N@@H+]1CC(=O)N(C)C1CC1 ZINC000335598294 398341827 /nfs/dbraw/zinc/34/18/27/398341827.db2.gz WFEUUALBEYLTTI-ONGXEEELSA-N 1 0 226.320 0.452 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N1CCC[C@@H](C(=O)NC)C1 ZINC000159752010 398342328 /nfs/dbraw/zinc/34/23/28/398342328.db2.gz RGFOCZOUKJCGQI-ZJUUUORDSA-N 1 0 241.335 0.098 10 0 BCAERO Cc1ncc(C[NH2+][C@H]2CCCN(CCO)C2)o1 ZINC000628212877 398343912 /nfs/dbraw/zinc/34/39/12/398343912.db2.gz KUTNCNJSWSKWAC-NSHDSACASA-N 1 0 239.319 0.529 10 0 BCAERO COc1cc(C)nc(NC[C@@H]2C[NH2+]CCO2)n1 ZINC000164226135 536702562 /nfs/dbraw/zinc/70/25/62/536702562.db2.gz CSZIYVIPGIMASC-VIFPVBQESA-N 1 0 238.291 0.194 10 0 BCAERO COCc1ccc(CNC(=O)C2C[NH2+]C2)cc1 ZINC000263306962 536768436 /nfs/dbraw/zinc/76/84/36/536768436.db2.gz ONXWWSBVALLDNH-UHFFFAOYSA-N 1 0 234.299 0.669 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N(C)C[C@H]1CCCOC1 ZINC000235278156 343000000 /nfs/dbraw/zinc/00/00/00/343000000.db2.gz NCODHINKOOTTBU-IJLUTSLNSA-N 1 0 240.347 0.727 10 0 BCAERO CS(=O)(=O)CCCC1CC[NH2+]CC1 ZINC000117489959 343000446 /nfs/dbraw/zinc/00/04/46/343000446.db2.gz XTZOAWUJPBGFEK-UHFFFAOYSA-N 1 0 205.323 0.811 10 0 BCAERO CC[C@H]([NH3+])C(=O)Nc1cc(Cl)ncn1 ZINC000234019332 343002700 /nfs/dbraw/zinc/00/27/00/343002700.db2.gz ZISQNRRSRYVKPU-YFKPBYRVSA-N 1 0 214.656 0.806 10 0 BCAERO Cc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)c(=O)[nH]1 ZINC000235340430 343010848 /nfs/dbraw/zinc/01/08/48/343010848.db2.gz RKFLDMGLGFCWSB-GMSGAONNSA-N 1 0 235.287 0.103 10 0 BCAERO C[C@@H]1CN(C(=O)[C@@H]2COc3ccccc32)C[C@@H]1[NH3+] ZINC000235407701 343031575 /nfs/dbraw/zinc/03/15/75/343031575.db2.gz XFYOMMXJVRRBDW-JLLWLGSASA-N 1 0 246.310 0.968 10 0 BCAERO C[C@@H]1CN(c2ncnc3c2CCC3)C[C@@H]1[NH3+] ZINC000235425797 343032723 /nfs/dbraw/zinc/03/27/23/343032723.db2.gz IUPBQKKMBATFRV-SCZZXKLOSA-N 1 0 218.304 0.749 10 0 BCAERO Nc1ccc(N2CCN3CCCC[C@H]3C2=O)cn1 ZINC000118589062 343050219 /nfs/dbraw/zinc/05/02/19/343050219.db2.gz LQPPBDSKWIFZOF-NSHDSACASA-N 1 0 246.314 0.865 10 0 BCAERO Cc1ccc(C(=O)N2C[C@H](C)[C@H]([NH3+])C2)c(=O)[nH]1 ZINC000235631836 343054808 /nfs/dbraw/zinc/05/48/08/343054808.db2.gz RKFLDMGLGFCWSB-OIBJUYFYSA-N 1 0 235.287 0.103 10 0 BCAERO Cc1nn(C)cc1C(=O)N1C[C@H]([NH3+])[C@@H](C)C1 ZINC000235675742 343055293 /nfs/dbraw/zinc/05/52/93/343055293.db2.gz GYBRQNQCJOGYIZ-XVKPBYJWSA-N 1 0 222.292 0.148 10 0 BCAERO Cc1c(C(=O)N2C[C@H]([NH3+])[C@@H](C)C2)cnn1C ZINC000235681769 343055376 /nfs/dbraw/zinc/05/53/76/343055376.db2.gz RCEXBJDPLNZRJT-XVKPBYJWSA-N 1 0 222.292 0.148 10 0 BCAERO C[C@H]1C[C@H](NC(=O)[C@@H]2CC[NH2+]C2)CCO1 ZINC000235717235 343058256 /nfs/dbraw/zinc/05/82/56/343058256.db2.gz DXLSTLIYCPLNQV-IVZWLZJFSA-N 1 0 212.293 0.280 10 0 BCAERO Cc1cnn(CCNC(=O)CC[NH2+]C2CC2)c1 ZINC000235936699 343067345 /nfs/dbraw/zinc/06/73/45/343067345.db2.gz AKJQKLJAJXVWHK-UHFFFAOYSA-N 1 0 236.319 0.450 10 0 BCAERO Cc1cnn(CCNC(=O)[C@H]2CC[C@H]([NH3+])C2)c1 ZINC000235941037 343067411 /nfs/dbraw/zinc/06/74/11/343067411.db2.gz CSJRPCMFSZDWDV-QWRGUYRKSA-N 1 0 236.319 0.435 10 0 BCAERO CC[C@H](C(=O)OC)N1CC[C@@H]([NH+](C)C)C1 ZINC000602886504 349794387 /nfs/dbraw/zinc/79/43/87/349794387.db2.gz SFCAURQZZOLYJD-NXEZZACHSA-N 1 0 214.309 0.574 10 0 BCAERO Nc1ccccc1OCc1nnc(CCC[NH3+])[nH]1 ZINC000072237480 343088404 /nfs/dbraw/zinc/08/84/04/343088404.db2.gz HGXRUTPGSQYIFQ-UHFFFAOYSA-N 1 0 247.302 0.857 10 0 BCAERO CC(C)[C@@H]1OCC[C@H]1C[NH2+][C@H]1CCNC1=O ZINC000336687902 187231148 /nfs/dbraw/zinc/23/11/48/187231148.db2.gz VKIIDPKMZYYAPE-DCAQKATOSA-N 1 0 226.320 0.526 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@@H]1CCCOC1 ZINC000082559586 362061040 /nfs/dbraw/zinc/06/10/40/362061040.db2.gz UZSRLCKIQUFOGM-OUAUKWLOSA-N 1 0 226.320 0.385 10 0 BCAERO CC(C)([NH3+])c1cn(C[C@H]2CCCOC2)nn1 ZINC000640959084 362099005 /nfs/dbraw/zinc/09/90/05/362099005.db2.gz BUAKBHANXLAMKB-SECBINFHSA-N 1 0 224.308 0.899 10 0 BCAERO CCONC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000186038544 136270497 /nfs/dbraw/zinc/27/04/97/136270497.db2.gz JJAAKNHGJYGSAU-SECBINFHSA-N 1 0 213.281 0.428 10 0 BCAERO C[C@@H](COC(=O)c1ccccc1)[NH2+]CCO ZINC000144602089 343136812 /nfs/dbraw/zinc/13/68/12/343136812.db2.gz GVOUUXJOWYZRGO-JTQLQIEISA-N 1 0 223.272 0.814 10 0 BCAERO Cc1nccnc1C[NH2+][C@@H]1CCC(=O)N[C@H]1C ZINC000621351121 343137215 /nfs/dbraw/zinc/13/72/15/343137215.db2.gz FYFBBOOSZLLECN-VHSXEESVSA-N 1 0 234.303 0.542 10 0 BCAERO C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCn2ccnc2C1 ZINC000092956772 343150125 /nfs/dbraw/zinc/15/01/25/343150125.db2.gz SGZFLHSCLCENTB-UWVGGRQHSA-N 1 0 234.303 0.223 10 0 BCAERO C[C@H]1[NH2+]CC[C@@H]1C(=O)N1CCn2ccnc2C1 ZINC000092956771 343150149 /nfs/dbraw/zinc/15/01/49/343150149.db2.gz SGZFLHSCLCENTB-ZJUUUORDSA-N 1 0 234.303 0.223 10 0 BCAERO Cn1cc(CCNC(=O)[C@]2(C)CCC[NH2+]2)cn1 ZINC000128156263 343179562 /nfs/dbraw/zinc/17/95/62/343179562.db2.gz BYLWOSSAYYFPFY-LBPRGKRZSA-N 1 0 236.319 0.221 10 0 BCAERO [NH3+]C[C@H](NC(=O)c1nnc[nH]1)C1CCCCC1 ZINC000130811749 343181971 /nfs/dbraw/zinc/18/19/71/343181971.db2.gz FDPPTTWLORRKCF-VIFPVBQESA-N 1 0 237.307 0.442 10 0 BCAERO CCCN(CC)C(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000131209971 343183375 /nfs/dbraw/zinc/18/33/75/343183375.db2.gz YKCIGTPCKQCQAU-UHFFFAOYSA-N 1 0 241.379 0.929 10 0 BCAERO C[C@@H]1CN2CCCC[C@@H]2CN1C(=O)C1([NH3+])CC1 ZINC000094447134 343156230 /nfs/dbraw/zinc/15/62/30/343156230.db2.gz URRDCOOUUWGDML-GHMZBOCLSA-N 1 0 237.347 0.563 10 0 BCAERO CC[C@@H]([NH3+])C(=O)N1CCS[C@@H](C)C1 ZINC000122368829 343159527 /nfs/dbraw/zinc/15/95/27/343159527.db2.gz QUVXSYJXEULDSL-JGVFFNPUSA-N 1 0 202.323 0.688 10 0 BCAERO CC(C)[N@@H+]1CCN(CCCO)C[C@@H]1C ZINC000019365414 187243601 /nfs/dbraw/zinc/24/36/01/187243601.db2.gz BYBSBHWOSUSFNF-NSHDSACASA-N 1 0 200.326 0.783 10 0 BCAERO Nc1cc[nH+]c(NCCCN2CCOCC2)c1 ZINC000043568836 343172874 /nfs/dbraw/zinc/17/28/74/343172874.db2.gz LCGCKSPVSXZFDG-UHFFFAOYSA-N 1 0 236.319 0.798 10 0 BCAERO C[C@@H](C[NH3+])N(C)c1ccc2nccnc2n1 ZINC000125497669 343173563 /nfs/dbraw/zinc/17/35/63/343173563.db2.gz QDDLGTHRXWSVSR-QMMMGPOBSA-N 1 0 217.276 0.808 10 0 BCAERO CC(C)OC[C@@H](O)C[NH2+]CCc1cnn(C)c1 ZINC000128304730 343174062 /nfs/dbraw/zinc/17/40/62/343174062.db2.gz JFQRFMWODIMKBI-LBPRGKRZSA-N 1 0 241.335 0.338 10 0 BCAERO COCCOCCOCCOC[C@H](C)[NH3+] ZINC000125695041 343174089 /nfs/dbraw/zinc/17/40/89/343174089.db2.gz XGMWYGGKSMGFIK-JTQLQIEISA-N 1 0 221.297 0.030 10 0 BCAERO CO[C@H]1C[NH2+][C@@H](C(=O)NCCCC2CC2)C1 ZINC000159158804 343201910 /nfs/dbraw/zinc/20/19/10/343201910.db2.gz FEVDVTHXCXYOQS-GHMZBOCLSA-N 1 0 226.320 0.670 10 0 BCAERO C[NH2+][C@H](C)C(=O)NCCC(=O)NC(C)(C)C ZINC000163251343 343206319 /nfs/dbraw/zinc/20/63/19/343206319.db2.gz HISIVTDFBDMART-MRVPVSSYSA-N 1 0 229.324 0.015 10 0 BCAERO CC(C)(C)NC(=O)CC[NH2+]CC(C)(C)O ZINC000163202324 343206345 /nfs/dbraw/zinc/20/63/45/343206345.db2.gz LISCXDSHXLHJLP-UHFFFAOYSA-N 1 0 216.325 0.652 10 0 BCAERO COC(=O)CC[N@@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000134156677 343188546 /nfs/dbraw/zinc/18/85/46/343188546.db2.gz DODSWLVIWUIUJY-IUCAKERBSA-N 1 0 200.282 0.361 10 0 BCAERO CC[C@@H]1CN(C(=O)[C@@H](C)[NH2+]C)CCS1 ZINC000133008773 343189388 /nfs/dbraw/zinc/18/93/88/343189388.db2.gz BODJBSAZDDSYHY-RKDXNWHRSA-N 1 0 216.350 0.948 10 0 BCAERO COc1c(N)ncnc1N1CC[C@H]([NH+](C)C)C1 ZINC000134885815 343191620 /nfs/dbraw/zinc/19/16/20/343191620.db2.gz LQMQRQYHMAVPCM-QMMMGPOBSA-N 1 0 237.307 0.208 10 0 BCAERO COc1c(N)ncnc1N1CC[C@@H]([NH+](C)C)C1 ZINC000134885798 343192035 /nfs/dbraw/zinc/19/20/35/343192035.db2.gz LQMQRQYHMAVPCM-MRVPVSSYSA-N 1 0 237.307 0.208 10 0 BCAERO COC[C@H]([NH3+])C(=O)N(C)CCc1ccccn1 ZINC000159589327 323039466 /nfs/dbraw/zinc/03/94/66/323039466.db2.gz DCJXMKVUELUHCQ-NSHDSACASA-N 1 0 237.303 0.056 10 0 BCAERO CC(=O)NCCNc1[nH+]ccc(C)c1N ZINC000036244838 187249768 /nfs/dbraw/zinc/24/97/68/187249768.db2.gz CPBQPZSLKBSRPZ-UHFFFAOYSA-N 1 0 208.265 0.520 10 0 BCAERO CCN1CCN(C(=O)[C@H]2CCC[NH2+]C2)CC1 ZINC000019411956 343249101 /nfs/dbraw/zinc/24/91/01/343249101.db2.gz YJDSAXBPWJLUNH-NSHDSACASA-N 1 0 225.336 0.150 10 0 BCAERO COC[C@@H](O)C[N@@H+]1CCC[C@@H]1CCCO ZINC000068891246 343251879 /nfs/dbraw/zinc/25/18/79/343251879.db2.gz MYBCPEOGRYJTPA-MNOVXSKESA-N 1 0 217.309 0.231 10 0 BCAERO COC(=O)c1ccc([C@@](C)([NH3+])CO)cc1 ZINC000238399607 343255855 /nfs/dbraw/zinc/25/58/55/343255855.db2.gz LQBWSGUZUPQCJX-NSHDSACASA-N 1 0 209.245 0.639 10 0 BCAERO [NH3+][C@H]1COC[C@H]1C(=O)Cc1cccnc1 ZINC000226611164 343262574 /nfs/dbraw/zinc/26/25/74/343262574.db2.gz VLRRYMVHFMMUIF-ZJUUUORDSA-N 1 0 206.245 0.167 10 0 BCAERO O=[S@](c1ccncc1)C1CC[NH2+]CC1 ZINC000034163397 343265543 /nfs/dbraw/zinc/26/55/43/343265543.db2.gz IPEZWCPAHRJTCV-AWEZNQCLSA-N 1 0 210.302 0.941 10 0 BCAERO O=[S@](c1ccccn1)C1CC[NH2+]CC1 ZINC000034163404 343265607 /nfs/dbraw/zinc/26/56/07/343265607.db2.gz ZDFZNBBCAHEBAH-CQSZACIVSA-N 1 0 210.302 0.941 10 0 BCAERO C1C[C@H]2[C@@H]([NH2+][C@@H]3CN4CCC3CC4)CCN2C1 ZINC000037169106 187251279 /nfs/dbraw/zinc/25/12/79/187251279.db2.gz OXZYWGOQEYKTCG-MJBXVCDLSA-N 1 0 235.375 0.907 10 0 BCAERO C[C@@H]1C[C@@H]1[NH2+]Cc1cnc(N(C)C)n1C ZINC000069718041 343290145 /nfs/dbraw/zinc/29/01/45/343290145.db2.gz RAMNUJUPQFTTTN-SCZZXKLOSA-N 1 0 208.309 0.984 10 0 BCAERO C[C@H]([NH3+])CCC(=O)N1CCOC[C@H]1C ZINC000069839203 343292369 /nfs/dbraw/zinc/29/23/69/343292369.db2.gz ZFFOVNTYPMRHSP-DTWKUNHWSA-N 1 0 200.282 0.361 10 0 BCAERO CO[C@@H]1C[NH2+][C@H](c2nnc3cnccn32)C1 ZINC000035452346 343297130 /nfs/dbraw/zinc/29/71/30/343297130.db2.gz IXJWFCJPPOYTSV-YUMQZZPRSA-N 1 0 219.248 0.174 10 0 BCAERO [NH3+][C@H]1CCCC[C@@H]1NS(=O)(=O)C(F)F ZINC000038049917 343367743 /nfs/dbraw/zinc/36/77/43/343367743.db2.gz XNRYWPOQTNEONZ-WDSKDSINSA-N 1 0 228.264 0.398 10 0 BCAERO [NH3+][C@@H]1CCCC[C@H]1NS(=O)(=O)C(F)F ZINC000038049916 343367893 /nfs/dbraw/zinc/36/78/93/343367893.db2.gz XNRYWPOQTNEONZ-PHDIDXHHSA-N 1 0 228.264 0.398 10 0 BCAERO CC[C@H]1CN(C)CCC[N@@H+]1C[C@@H](C)O ZINC000234081991 343334541 /nfs/dbraw/zinc/33/45/41/343334541.db2.gz JYTXLMJNLYXHHF-MNOVXSKESA-N 1 0 200.326 0.783 10 0 BCAERO CC[C@@H](COC)[NH2+][C@@H]1CCCNC1=O ZINC000070624365 343335765 /nfs/dbraw/zinc/33/57/65/343335765.db2.gz WXNQPJCWDFXGDQ-DTWKUNHWSA-N 1 0 200.282 0.280 10 0 BCAERO C([C@@H]1CCOCO1)N1CCC[NH2+]CC1 ZINC000036964326 187259471 /nfs/dbraw/zinc/25/94/71/187259471.db2.gz QVZMNMKCUKUMOW-JTQLQIEISA-N 1 0 200.282 0.045 10 0 BCAERO CC(C)(C)OC(=O)NCCOCCC[NH3+] ZINC000039094079 343382274 /nfs/dbraw/zinc/38/22/74/343382274.db2.gz HFASZFCDYSJMCC-UHFFFAOYSA-N 1 0 218.297 0.877 10 0 BCAERO COc1c(O)cc([C@@H](O)[C@H](C)[NH3+])cc1O ZINC000039097351 343382745 /nfs/dbraw/zinc/38/27/45/343382745.db2.gz RSVRLCOQETUJCH-CDUCUWFYSA-N 1 0 213.233 0.487 10 0 BCAERO Cc1nc(N(C)C)[nH]c(=O)c1C[NH+](C)C ZINC000039108951 343384852 /nfs/dbraw/zinc/38/48/52/343384852.db2.gz GFNFSCLFEHIQAO-UHFFFAOYSA-N 1 0 210.281 0.206 10 0 BCAERO C[NH+](C)[C@@H]1CC2(CC[C@H]1O)OCCO2 ZINC000039384587 343389668 /nfs/dbraw/zinc/38/96/68/343389668.db2.gz MRKPRQYFNJZHPM-RKDXNWHRSA-N 1 0 201.266 0.205 10 0 BCAERO CC(C)COC[C@H](O)C[NH2+]CC(=O)NC(C)C ZINC000037892341 187260687 /nfs/dbraw/zinc/26/06/87/187260687.db2.gz ZBKQOUVWXKEJHY-LLVKDONJSA-N 1 0 246.351 0.134 10 0 BCAERO CC(C)C[C@H]([NH3+])C(=O)N1CCCC[C@@H]1C(N)=O ZINC000037799448 187260972 /nfs/dbraw/zinc/26/09/72/187260972.db2.gz CUOXMXOQGNHEIW-VHSXEESVSA-N 1 0 241.335 0.226 10 0 BCAERO CCN1CCO[C@@H](C[NH2+]Cc2cc(C)no2)C1 ZINC000078641861 488216562 /nfs/dbraw/zinc/21/65/62/488216562.db2.gz MLNNOIGWZMOQSV-LBPRGKRZSA-N 1 0 239.319 0.793 10 0 BCAERO [NH3+]Cc1cn(CC[C@@H]2CCCCO2)nn1 ZINC000641084545 362207278 /nfs/dbraw/zinc/20/72/78/362207278.db2.gz NFKSZISJAJSWMW-JTQLQIEISA-N 1 0 210.281 0.696 10 0 BCAERO CC(C)[C@@](C)(C(N)=O)N1CCC[NH2+]CC1 ZINC000037943769 187261588 /nfs/dbraw/zinc/26/15/88/187261588.db2.gz ASZBBHCXLZRJOK-NSHDSACASA-N 1 0 213.325 0.182 10 0 BCAERO CC(C)CCS(=O)(=O)NCC[C@@H](C)[NH3+] ZINC000082629210 343458441 /nfs/dbraw/zinc/45/84/41/343458441.db2.gz MNPFWHMLZNEGHD-SECBINFHSA-N 1 0 222.354 0.689 10 0 BCAERO CSCc1nc([C@H]2C[NH2+]CCN2C)no1 ZINC000261542280 136374388 /nfs/dbraw/zinc/37/43/88/136374388.db2.gz GMRXNGDURWYLKA-SSDOTTSWSA-N 1 0 228.321 0.509 10 0 BCAERO [NH3+]C[C@@H]1CCCN1C(=O)C[C@H]1CCCO1 ZINC000083525659 343488688 /nfs/dbraw/zinc/48/86/88/343488688.db2.gz FTJMOLZHCPMTLR-VHSXEESVSA-N 1 0 212.293 0.505 10 0 BCAERO CC[NH2+][C@H](C)CNc1ncnc2c1cnn2C ZINC000387610185 346943331 /nfs/dbraw/zinc/94/33/31/346943331.db2.gz YKNJDHCCSBKGFE-MRVPVSSYSA-N 1 0 234.307 0.773 10 0 BCAERO C[NH2+][C@@H]1CSC[C@@H]1Cc1cn(C)nn1 ZINC000234442677 343505745 /nfs/dbraw/zinc/50/57/45/343505745.db2.gz NXLWCFLFASQULD-IONNQARKSA-N 1 0 212.322 0.309 10 0 BCAERO OCC[N@@H+]1CCOCC[C@H]1c1ccccn1 ZINC000616656848 343532077 /nfs/dbraw/zinc/53/20/77/343532077.db2.gz OQUDKZIBQWMZLG-LBPRGKRZSA-N 1 0 222.288 0.837 10 0 BCAERO [NH3+]CCN1CCOCC[C@H]1c1ccncn1 ZINC000616657279 343532106 /nfs/dbraw/zinc/53/21/06/343532106.db2.gz VAYOTKXGXNHGAJ-NSHDSACASA-N 1 0 222.292 0.199 10 0 BCAERO [NH3+]CCN1CCOC[C@@H](c2cnco2)C1 ZINC000616664471 343533479 /nfs/dbraw/zinc/53/34/79/343533479.db2.gz UMQNGYNBMXBZPI-VIFPVBQESA-N 1 0 211.265 0.049 10 0 BCAERO CCOC(=O)N1CCO[C@H](CC[NH3+])CC1 ZINC000616662984 343534075 /nfs/dbraw/zinc/53/40/75/343534075.db2.gz GFOXBHGOHGVDSV-SECBINFHSA-N 1 0 216.281 0.583 10 0 BCAERO CC(C)(C)[C@H]([NH3+])C(=O)N1CCC[C@@H](CO)C1 ZINC000040461806 187264155 /nfs/dbraw/zinc/26/41/55/187264155.db2.gz ZJDFLERXFVOLDE-NXEZZACHSA-N 1 0 228.336 0.591 10 0 BCAERO CCn1cc([C@H](C)[NH2+][C@@H]2CCOC[C@@H]2O)cn1 ZINC000624236675 343582280 /nfs/dbraw/zinc/58/22/80/343582280.db2.gz HUMAZLCDRGBITC-WCQGTBRESA-N 1 0 239.319 0.703 10 0 BCAERO COC(=O)C[C@H](C)[N@@H+]1C[C@H](C(N)=O)CC[C@H]1C ZINC000042429760 187266154 /nfs/dbraw/zinc/26/61/54/187266154.db2.gz JVUKCDLYAIEASN-KXUCPTDWSA-N 1 0 242.319 0.524 10 0 BCAERO CN(C)C(=O)c1cn[nH]c1[C@@H]1CCCC[NH2+]1 ZINC000390359428 537792585 /nfs/dbraw/zinc/79/25/85/537792585.db2.gz LAXBDFSTLPVDGM-VIFPVBQESA-N 1 0 222.292 0.926 10 0 BCAERO CC(C)[C@H]([NH3+])C(=O)NCCCCCCO ZINC000083348702 187267930 /nfs/dbraw/zinc/26/79/30/187267930.db2.gz ADSZVRXHRYHGNM-JTQLQIEISA-N 1 0 216.325 0.639 10 0 BCAERO COC(=O)[C@H](C)C[N@H+](C)C[C@@H]1CCCN1C ZINC000086189083 343613720 /nfs/dbraw/zinc/61/37/20/343613720.db2.gz AYUJGIHIEZQUNE-MNOVXSKESA-N 1 0 228.336 0.822 10 0 BCAERO CC[N@@H+]1CCC[C@@H]1CN(C)CC(=O)OC ZINC000086189121 343613878 /nfs/dbraw/zinc/61/38/78/343613878.db2.gz MHVAUOGGSKMLKS-SNVBAGLBSA-N 1 0 214.309 0.576 10 0 BCAERO COC[C@@H]([NH3+])C1CN(C(=O)OC(C)(C)C)C1 ZINC000407015602 343613897 /nfs/dbraw/zinc/61/38/97/343613897.db2.gz AGZZGRDJAPZDAX-SECBINFHSA-N 1 0 230.308 0.827 10 0 BCAERO c1n[nH]cc1CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000678257069 488227575 /nfs/dbraw/zinc/22/75/75/488227575.db2.gz NXJFVCQBWCGQOX-LLVKDONJSA-N 1 0 206.293 0.690 10 0 BCAERO C[C@@H]1CCN(c2cc(C#N)ncn2)[C@H](C[NH3+])C1 ZINC000379846007 343638878 /nfs/dbraw/zinc/63/88/78/343638878.db2.gz FLMBKXCZKQTEAP-KOLCDFICSA-N 1 0 231.303 0.912 10 0 BCAERO COC(=O)[C@@H]1C[N@@H+]([C@H](C)C(C)C)CCO1 ZINC000319554665 343630965 /nfs/dbraw/zinc/63/09/65/343630965.db2.gz JYQNHWCXIKSZGZ-ZJUUUORDSA-N 1 0 215.293 0.905 10 0 BCAERO CCCS(=O)(=O)NC[C@H]1CC[C@@H]([NH3+])C1 ZINC000227628924 537795517 /nfs/dbraw/zinc/79/55/17/537795517.db2.gz SQRUOHBPMUIZES-DTWKUNHWSA-N 1 0 220.338 0.443 10 0 BCAERO CC(C)[C@H](C[NH3+])C(=O)N1CCOCC1(C)C ZINC000044804521 187268432 /nfs/dbraw/zinc/26/84/32/187268432.db2.gz VZKWEGZYQSMXTO-JTQLQIEISA-N 1 0 228.336 0.855 10 0 BCAERO CC(C)N(C)C(=O)C[NH2+][C@@H](C)CN1CCCC1 ZINC000049180405 187269893 /nfs/dbraw/zinc/26/98/93/187269893.db2.gz APKMPZARZKWUKL-LBPRGKRZSA-N 1 0 241.379 0.927 10 0 BCAERO CC(C)N(C)C(=O)C[NH2+][C@H](C)CN1CCCC1 ZINC000049180407 187270062 /nfs/dbraw/zinc/27/00/62/187270062.db2.gz APKMPZARZKWUKL-GFCCVEGCSA-N 1 0 241.379 0.927 10 0 BCAERO CC(=O)N1CCCN(C[C@@H]2CC[NH2+]C2)CC1 ZINC000051889836 187270833 /nfs/dbraw/zinc/27/08/33/187270833.db2.gz BPFNSIHNFBJUHX-GFCCVEGCSA-N 1 0 225.336 0.150 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N1CCCC(C)(C)C1 ZINC000088004491 343687858 /nfs/dbraw/zinc/68/78/58/343687858.db2.gz XFQSYSQQRQOSIE-SECBINFHSA-N 1 0 214.309 0.609 10 0 BCAERO COC[C@@H]([NH3+])C(=O)Nc1cccc(F)c1 ZINC000088002351 343689419 /nfs/dbraw/zinc/68/94/19/343689419.db2.gz CTBRVIJLVGNYPI-SECBINFHSA-N 1 0 212.224 0.738 10 0 BCAERO CCC[C@H]([NH3+])C(=O)NC[C@H](O)[C@H](C)CC ZINC000261592444 349850551 /nfs/dbraw/zinc/85/05/51/349850551.db2.gz VWUBNEVWKYBMMV-UTLUCORTSA-N 1 0 216.325 0.637 10 0 BCAERO CC1(C)C[NH2+]CCN1C(=O)C(F)(F)F ZINC000062570212 343742632 /nfs/dbraw/zinc/74/26/32/343742632.db2.gz SEPIFVIUBWEPIY-UHFFFAOYSA-N 1 0 210.199 0.759 10 0 BCAERO C[C@@H]([NH3+])Cc1ccc(S(N)(=O)=O)cc1 ZINC000059555933 343710436 /nfs/dbraw/zinc/71/04/36/343710436.db2.gz ZWIVSZLMVAZHKU-SSDOTTSWSA-N 1 0 214.290 0.224 10 0 BCAERO CCC[C@H](C(=O)N1CCO[C@@H](C)C1)[NH+](C)C ZINC000178643450 346961334 /nfs/dbraw/zinc/96/13/34/346961334.db2.gz AXMQLXQHXIFPHL-WDEREUQCSA-N 1 0 228.336 0.964 10 0 BCAERO C[C@H]1CCN(S(=O)(=O)C2CC2)[C@H]1C[NH3+] ZINC000299909823 349859003 /nfs/dbraw/zinc/85/90/03/349859003.db2.gz KZFFSGNJWBNTJR-CBAPKCEASA-N 1 0 218.322 0.148 10 0 BCAERO C[C@H](O)C[C@H](C)CNC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000262628168 349860069 /nfs/dbraw/zinc/86/00/69/349860069.db2.gz MBYHTYKMSRSPKE-MMWGEVLESA-N 1 0 228.336 0.637 10 0 BCAERO CN(C)Nc1[nH+]cnc(N)c1Br ZINC000234250045 343746992 /nfs/dbraw/zinc/74/69/92/343746992.db2.gz MYAYROJPGCNRDA-UHFFFAOYSA-N 1 0 232.085 0.710 10 0 BCAERO CCOCC(=O)N1C[C@@H](C)[C@H]([NH+](C)C)C1 ZINC000089710127 343748611 /nfs/dbraw/zinc/74/86/11/343748611.db2.gz NDNUOUBHFMROHX-NXEZZACHSA-N 1 0 214.309 0.431 10 0 BCAERO CO[C@@H]1C[C@H](CO)[N@H+](CC[C@@H]2CCOC2)C1 ZINC000344056108 343757080 /nfs/dbraw/zinc/75/70/80/343757080.db2.gz IFEIKUREVGXXQP-IJLUTSLNSA-N 1 0 229.320 0.495 10 0 BCAERO C[NH2+][C@H](C)c1nc2c(c(=O)[nH]1)COCC2 ZINC000208820423 343761566 /nfs/dbraw/zinc/76/15/66/343761566.db2.gz GMDMBHVRDATUEM-ZCFIWIBFSA-N 1 0 209.249 0.123 10 0 BCAERO O=c1oc2cccnc2n1CC1CC[NH2+]CC1 ZINC000057871306 187272923 /nfs/dbraw/zinc/27/29/23/187272923.db2.gz INXRVXDGIKNWLB-UHFFFAOYSA-N 1 0 233.271 0.989 10 0 BCAERO C[C@@H]1COC[C@H](C)N1C(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000262651008 349861412 /nfs/dbraw/zinc/86/14/12/349861412.db2.gz XAMBDRNGOBQTBL-YTWAJWBKSA-N 1 0 226.320 0.750 10 0 BCAERO COCCO[C@H]1CCC[N@H+](CC(C)(C)O)C1 ZINC000179296093 346980591 /nfs/dbraw/zinc/98/05/91/346980591.db2.gz YTZCSHHHHUADTH-NSHDSACASA-N 1 0 231.336 0.885 10 0 BCAERO Cc1ccc(OCC(=O)NC(N)=O)c(C[NH3+])c1 ZINC000071403428 187275668 /nfs/dbraw/zinc/27/56/68/187275668.db2.gz DSUOSGGYSONLJO-UHFFFAOYSA-N 1 0 237.259 0.027 10 0 BCAERO CCOC(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000062983713 187274265 /nfs/dbraw/zinc/27/42/65/187274265.db2.gz PRNZJRWYHKJEAB-JTQLQIEISA-N 1 0 240.303 0.246 10 0 BCAERO Cc1nc([C@H]2OC[C@H](C[NH3+])O2)cs1 ZINC000127170810 343886147 /nfs/dbraw/zinc/88/61/47/343886147.db2.gz RWHGKYPYMBNJPE-XPUUQOCRSA-N 1 0 200.263 0.824 10 0 BCAERO Cc1nc([C@@H]2OC[C@@H](C[NH3+])O2)cs1 ZINC000127171088 343886150 /nfs/dbraw/zinc/88/61/50/343886150.db2.gz RWHGKYPYMBNJPE-HTRCEHHLSA-N 1 0 200.263 0.824 10 0 BCAERO Cc1ccc(C[NH3+])cc1S(N)(=O)=O ZINC000069977147 343945637 /nfs/dbraw/zinc/94/56/37/343945637.db2.gz UBXJXEHEIXIDSO-UHFFFAOYSA-N 1 0 200.263 0.101 10 0 BCAERO [NH3+]Cc1cn(CCOCC2CCC2)nn1 ZINC000641179365 362255937 /nfs/dbraw/zinc/25/59/37/362255937.db2.gz JWFWLOVVNHBEEU-UHFFFAOYSA-N 1 0 210.281 0.554 10 0 BCAERO C[C@@H]1CN(C(=O)CC[C@@H]2CCOC2)C[C@@H]1[NH3+] ZINC000401563558 347017187 /nfs/dbraw/zinc/01/71/87/347017187.db2.gz ORNVHZUJHGNRAN-MXWKQRLJSA-N 1 0 226.320 0.609 10 0 BCAERO CC(C)(C)[C@H](O)C[NH2+]CC[C@H](O)C(F)F ZINC000634726213 343951386 /nfs/dbraw/zinc/95/13/86/343951386.db2.gz NMRXGBBYHALBBY-JGVFFNPUSA-N 1 0 225.279 0.999 10 0 BCAERO C[C@@H](O)CNC(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000070502747 343951896 /nfs/dbraw/zinc/95/18/96/343951896.db2.gz FMKONZZTEJTSQB-HLTSFMKQSA-N 1 0 200.282 0.001 10 0 BCAERO C[C@@H]1SCC[C@@]1(C[NH3+])N1CCOCC1 ZINC000235334437 343956891 /nfs/dbraw/zinc/95/68/91/343956891.db2.gz HADLSVNKLLUVBE-UWVGGRQHSA-N 1 0 216.350 0.542 10 0 BCAERO [NH3+]CCCn1ccc2c(cnc3ccnn32)c1=O ZINC000072417656 343958822 /nfs/dbraw/zinc/95/88/22/343958822.db2.gz IANATTONHMUWBH-UHFFFAOYSA-N 1 0 243.270 0.393 10 0 BCAERO CC[N@@H+]1CCC[C@H]1CN(C)S(=O)(=O)CC ZINC000092677652 343960849 /nfs/dbraw/zinc/96/08/49/343960849.db2.gz QTWOKSLNFOSZBQ-JTQLQIEISA-N 1 0 234.365 0.752 10 0 BCAERO CC(C)([NH2+][C@H]1CCCCC[C@H]1O)C(N)=O ZINC000040674838 187284166 /nfs/dbraw/zinc/28/41/66/187284166.db2.gz NFXMNMQAAGVXSP-DTWKUNHWSA-N 1 0 214.309 0.534 10 0 BCAERO CC(C)(C)[C@@H]([NH3+])C(=O)NCCc1c[nH]cn1 ZINC000083353545 187284401 /nfs/dbraw/zinc/28/44/01/187284401.db2.gz IUQJDTJWEAGYJG-VIFPVBQESA-N 1 0 224.308 0.442 10 0 BCAERO Cc1nc2c(cnn2C)c(NCCC[NH3+])n1 ZINC000212385495 344118386 /nfs/dbraw/zinc/11/83/86/344118386.db2.gz VDJGDYSXUVPPRN-UHFFFAOYSA-N 1 0 220.280 0.432 10 0 BCAERO CSc1nccc(N2CC[C@H](C[NH3+])C2)n1 ZINC000095071844 187287257 /nfs/dbraw/zinc/28/72/57/187287257.db2.gz ITEKLZJHLNDXEP-MRVPVSSYSA-N 1 0 224.333 0.984 10 0 BCAERO C[N@H+](C[C@@H]1CNC(=O)O1)[C@@H](CO)C(C)(C)C ZINC000496295062 529957611 /nfs/dbraw/zinc/95/76/11/529957611.db2.gz NTVVTISDQQUWLF-IUCAKERBSA-N 1 0 230.308 0.434 10 0 BCAERO C[C@H](CC(N)=S)[N@@H+]1CCC[C@@](C)(O)C1 ZINC000157435489 344102300 /nfs/dbraw/zinc/10/23/00/344102300.db2.gz IEZMUOOKHPVPHG-PSASIEDQSA-N 1 0 216.350 0.898 10 0 BCAERO COCCCNC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634735689 344123828 /nfs/dbraw/zinc/12/38/28/344123828.db2.gz NNYRKRGITLYGNK-JQWIXIFHSA-N 1 0 226.320 0.529 10 0 BCAERO [NH3+]C[C@H](NC(=O)[C@]12CCC[C@H]1OCC2)C1CC1 ZINC000634735928 344124292 /nfs/dbraw/zinc/12/42/92/344124292.db2.gz VGRHTWFVSWDJMS-LOWVWBTDSA-N 1 0 238.331 0.799 10 0 BCAERO COc1cccc(C(=O)N2CC[NH2+][C@@H](C)C2)n1 ZINC000215553256 344127966 /nfs/dbraw/zinc/12/79/66/344127966.db2.gz QESQFGFYAJATMT-VIFPVBQESA-N 1 0 235.287 0.524 10 0 BCAERO COc1ccc([C@H](O)C[NH3+])nc1Br ZINC000220285622 344134917 /nfs/dbraw/zinc/13/49/17/344134917.db2.gz BTNVASSFDJLZEA-ZCFIWIBFSA-N 1 0 247.092 0.845 10 0 BCAERO C[C@H](C[NH3+])Nc1ncnc2scnc21 ZINC000107208850 344150686 /nfs/dbraw/zinc/15/06/86/344150686.db2.gz IUCXPMMDZZSXGE-RXMQYKEDSA-N 1 0 209.278 0.845 10 0 BCAERO C[C@H]1C[C@H]1NC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634742140 344163176 /nfs/dbraw/zinc/16/31/76/344163176.db2.gz BCYINXNGMIPMJO-GUDRVLHUSA-N 1 0 208.305 0.901 10 0 BCAERO CC(C)[C@@H](CCO)NC(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000573442900 344236430 /nfs/dbraw/zinc/23/64/30/344236430.db2.gz RNIZTIOCKLIONV-IJLUTSLNSA-N 1 0 242.363 0.898 10 0 BCAERO Cc1cc(CNC(=O)[C@]23CCC[C@H]2C[NH2+]C3)on1 ZINC000634747200 344179818 /nfs/dbraw/zinc/17/98/18/344179818.db2.gz BAWXKLDWJIDJKZ-GWCFXTLKSA-N 1 0 249.314 0.989 10 0 BCAERO O=C(CC1CC1)N1CC2(C1)CC[NH2+]CC2 ZINC000616572333 344183747 /nfs/dbraw/zinc/18/37/47/344183747.db2.gz RNIPWEIWCRQNRH-UHFFFAOYSA-N 1 0 208.305 0.999 10 0 BCAERO Cc1ncc([C@@H](C[NH3+])N2CCCOCC2)cn1 ZINC000217086581 344183822 /nfs/dbraw/zinc/18/38/22/344183822.db2.gz FSCHQKGHPKGZRH-GFCCVEGCSA-N 1 0 236.319 0.507 10 0 BCAERO O=C([C@@H]1CCOC1)N1CC2(C1)CC[NH2+]CC2 ZINC000616572705 344185294 /nfs/dbraw/zinc/18/52/94/344185294.db2.gz UEAUVUQTDZFDMH-SNVBAGLBSA-N 1 0 224.304 0.235 10 0 BCAERO O=C(NCCn1cccn1)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634770850 344284451 /nfs/dbraw/zinc/28/44/51/344284451.db2.gz ZBMHJYDXIURBIL-AAEUAGOBSA-N 1 0 248.330 0.389 10 0 BCAERO C[C@H]1C[C@H](NC(=O)[C@]23CCC[C@H]2C[NH2+]C3)CO1 ZINC000634771482 344285393 /nfs/dbraw/zinc/28/53/93/344285393.db2.gz WQVPGSWVXSFNOI-ZPFDUUQYSA-N 1 0 238.331 0.670 10 0 BCAERO CO[C@H](C)CNC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634770184 344285710 /nfs/dbraw/zinc/28/57/10/344285710.db2.gz BUHUZZAZVTVSJN-SCVCMEIPSA-N 1 0 226.320 0.527 10 0 BCAERO C[C@@H]1C[C@@H](NC(=O)[C@]23CCC[C@H]2C[NH2+]C3)CO1 ZINC000634771481 344285716 /nfs/dbraw/zinc/28/57/16/344285716.db2.gz WQVPGSWVXSFNOI-XZUYRWCXSA-N 1 0 238.331 0.670 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N1C[C@@H]2COC[C@@H]2C1 ZINC000634774362 344292854 /nfs/dbraw/zinc/29/28/54/344292854.db2.gz OLIMXCKCIPZSHX-AEJSXWLSSA-N 1 0 212.293 0.219 10 0 BCAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)N1C[C@@H]2COC[C@@H]2C1 ZINC000634774287 344293668 /nfs/dbraw/zinc/29/36/68/344293668.db2.gz LGRXHOOELYZMQC-WISYIIOYSA-N 1 0 238.331 0.466 10 0 BCAERO [NH3+]C[C@@H]1CCNc2c(Br)cnn21 ZINC000236234381 344324286 /nfs/dbraw/zinc/32/42/86/344324286.db2.gz NEDOFKWKKZWIHQ-YFKPBYRVSA-N 1 0 231.097 0.961 10 0 BCAERO C[N@H+](C[C@H]1CNC(=O)O1)[C@H](CO)C(C)(C)C ZINC000496295063 529972692 /nfs/dbraw/zinc/97/26/92/529972692.db2.gz NTVVTISDQQUWLF-RKDXNWHRSA-N 1 0 230.308 0.434 10 0 BCAERO Cc1nnc(N2C[C@H]([NH3+])C[C@H]2C)nc1C ZINC000385187159 344366520 /nfs/dbraw/zinc/36/65/20/344366520.db2.gz LDQSFSZFIKLBNX-HZGVNTEJSA-N 1 0 207.281 0.414 10 0 BCAERO [NH3+][C@@H](CC1OCCO1)c1ccncc1F ZINC000236303584 344354792 /nfs/dbraw/zinc/35/47/92/344354792.db2.gz JXWLZDWTRDPWII-VIFPVBQESA-N 1 0 212.224 0.984 10 0 BCAERO C[C@@H]1C[C@@H]([NH3+])CN1c1ccc2nccnc2n1 ZINC000385163244 344357015 /nfs/dbraw/zinc/35/70/15/344357015.db2.gz CEDRTRAFVFOZAL-RKDXNWHRSA-N 1 0 229.287 0.951 10 0 BCAERO C[C@@H]1C[C@H]([NH3+])CN1c1ncnc2nc[nH]c21 ZINC000385199966 344371369 /nfs/dbraw/zinc/37/13/69/344371369.db2.gz QUCHEUXBYPERPP-RQJHMYQMSA-N 1 0 218.264 0.279 10 0 BCAERO CCOc1cncc(N2C[C@@H]([NH3+])C[C@H]2C)n1 ZINC000385230290 344380199 /nfs/dbraw/zinc/38/01/99/344380199.db2.gz IYWIERMVHRHQEF-BDAKNGLRSA-N 1 0 222.292 0.801 10 0 BCAERO C[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH3+])C1)n1cccn1 ZINC000300047096 344380597 /nfs/dbraw/zinc/38/05/97/344380597.db2.gz CNJHPZZOCFRWBL-KXUCPTDWSA-N 1 0 222.292 0.250 10 0 BCAERO COc1cc(C)nc(N2C[C@@H]([NH3+])C[C@@H]2C)n1 ZINC000385271245 344385700 /nfs/dbraw/zinc/38/57/00/344385700.db2.gz SNYQFWGONZQCBI-IUCAKERBSA-N 1 0 222.292 0.720 10 0 BCAERO COC(=O)CCCN1C[C@@H](OC)C[C@]1(C)C[NH3+] ZINC000600885768 344388198 /nfs/dbraw/zinc/38/81/98/344388198.db2.gz NSPBHIRYOFVTTM-CMPLNLGQSA-N 1 0 244.335 0.378 10 0 BCAERO C[C@H]1CN(c2ncnc3c2ncn3C)C[C@H]1C[NH3+] ZINC000634812790 344397607 /nfs/dbraw/zinc/39/76/07/344397607.db2.gz RASDJIVZXZLGMQ-DTWKUNHWSA-N 1 0 246.318 0.394 10 0 BCAERO CC[C@@H](O)[C@@H](C)[N@@H+]1CCCN(C)CC1 ZINC000044124858 344398807 /nfs/dbraw/zinc/39/88/07/344398807.db2.gz PLTYBEWKEVVPHP-GHMZBOCLSA-N 1 0 200.326 0.783 10 0 BCAERO COC(=O)[C@@H]1CCC[N@H+](C[C@@H]2CNC(=O)C2)C1 ZINC000400176915 344411273 /nfs/dbraw/zinc/41/12/73/344411273.db2.gz POXYHJFQYSDAIG-VHSXEESVSA-N 1 0 240.303 0.008 10 0 BCAERO O=C(N1CC[C@H]2CC[NH2+]C[C@H]21)C(F)(F)F ZINC000306712625 344412528 /nfs/dbraw/zinc/41/25/28/344412528.db2.gz ZMPHJDZWWJMRPN-RNFRBKRXSA-N 1 0 222.210 0.759 10 0 BCAERO CCOC(=O)CNC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000084309764 344418756 /nfs/dbraw/zinc/41/87/56/344418756.db2.gz PQOGQVJFMFWGDF-BDAKNGLRSA-N 1 0 228.292 0.041 10 0 BCAERO CSCCNC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000084311050 344418840 /nfs/dbraw/zinc/41/88/40/344418840.db2.gz MIBJOQOMKKRFOL-BDAKNGLRSA-N 1 0 216.350 0.841 10 0 BCAERO CC(C)N(CC(N)=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC000042438631 187291366 /nfs/dbraw/zinc/29/13/66/187291366.db2.gz BFLGGLNUPYRLJP-UWVGGRQHSA-N 1 0 213.325 0.452 10 0 BCAERO C[NH2+]C[C@@H]1COCCN1C(=O)c1ccccc1 ZINC000211232337 344513102 /nfs/dbraw/zinc/51/31/02/344513102.db2.gz ODUSKGVMVBAWQH-GFCCVEGCSA-N 1 0 234.299 0.747 10 0 BCAERO OCC[N@@H+]1CC[C@H](Nc2ccccn2)C1 ZINC000616613405 344518568 /nfs/dbraw/zinc/51/85/68/344518568.db2.gz IMQWXIZXHBHWLZ-JTQLQIEISA-N 1 0 207.277 0.560 10 0 BCAERO O=c1ccccn1CC[N@H+]1CC[C@H](CCO)C1 ZINC000227569241 344524922 /nfs/dbraw/zinc/52/49/22/344524922.db2.gz KIRRETWGJXRHLZ-GFCCVEGCSA-N 1 0 236.315 0.553 10 0 BCAERO CCN1CCO[C@@H](C[NH2+]C2CCOCC2)C1 ZINC000085444941 344534144 /nfs/dbraw/zinc/53/41/44/344534144.db2.gz RDGCKNYWOUEVRL-LBPRGKRZSA-N 1 0 228.336 0.476 10 0 BCAERO OC[C@H]1CN(c2ccncc2F)CCO1 ZINC000641421273 362406234 /nfs/dbraw/zinc/40/62/34/362406234.db2.gz MULRSFZRLNCYDU-MRVPVSSYSA-N 1 0 212.224 0.418 10 0 BCAERO COC(=O)CCCNC(=O)C[C@H]1CCC[NH2+]C1 ZINC000054308765 344540150 /nfs/dbraw/zinc/54/01/50/344540150.db2.gz YBVRHUFMPRHKLS-SNVBAGLBSA-N 1 0 242.319 0.446 10 0 BCAERO [NH3+]C1(C(=O)N[C@H]2CCCSC2)CCC1 ZINC000220741712 344577151 /nfs/dbraw/zinc/57/71/51/344577151.db2.gz WKERBEPSFSJGJT-QMMMGPOBSA-N 1 0 214.334 0.880 10 0 BCAERO [NH3+][C@@H]1CCN(C2CCSCC2)C1=O ZINC000220775395 344581076 /nfs/dbraw/zinc/58/10/76/344581076.db2.gz GBCPDFXWOMUGTH-MRVPVSSYSA-N 1 0 200.307 0.442 10 0 BCAERO CCC[C@]1(C[NH3+])CN(C(=O)NCC)CCO1 ZINC000675059276 537852335 /nfs/dbraw/zinc/85/23/35/537852335.db2.gz MNIUYPVZQLBHBT-NSHDSACASA-N 1 0 229.324 0.546 10 0 BCAERO COC(=O)/C=C/N1C[C@H](C)[NH+](C)[C@@H](C)C1 ZINC000127781681 344649421 /nfs/dbraw/zinc/64/94/21/344649421.db2.gz WEMZLKMFFIJZBH-QEBMPYFUSA-N 1 0 212.293 0.698 10 0 BCAERO CNC(=O)[C@@H]1CCCN1[C@@H]1CCCC1=O ZINC000050154436 344650790 /nfs/dbraw/zinc/65/07/90/344650790.db2.gz MLQKYUMHDRIYAL-BDAKNGLRSA-N 1 0 210.277 0.318 10 0 BCAERO c1cc(CCN2CC[NH2+]CC2)cc2nonc12 ZINC000113515083 344664789 /nfs/dbraw/zinc/66/47/89/344664789.db2.gz FUAJPBCATCQDIV-UHFFFAOYSA-N 1 0 232.287 0.671 10 0 BCAERO C[C@H]([NH3+])CC(=O)N[C@@H]1CCCSC1 ZINC000158507500 344668970 /nfs/dbraw/zinc/66/89/70/344668970.db2.gz YIJGTIXXIALSDB-JGVFFNPUSA-N 1 0 202.323 0.736 10 0 BCAERO CN(C)c1ncc(C[NH2+][C@@H]2C[C@H]2CO)cn1 ZINC000309443660 347063302 /nfs/dbraw/zinc/06/33/02/347063302.db2.gz JFTAQDXDIWAXPR-VHSXEESVSA-N 1 0 222.292 0.013 10 0 BCAERO C[C@H]1C[NH2+]C[C@H]1C(=O)N(C)Cc1cnn(C)c1 ZINC000104217806 187291981 /nfs/dbraw/zinc/29/19/81/187291981.db2.gz GQPKULQDEGZCIU-GXSJLCMTSA-N 1 0 236.319 0.234 10 0 BCAERO C[C@H]1CN([C@@]2(C[NH3+])CCOC2)CCS1 ZINC000220947598 344645627 /nfs/dbraw/zinc/64/56/27/344645627.db2.gz JYLSGWPNJQYMOC-VHSXEESVSA-N 1 0 216.350 0.542 10 0 BCAERO Cn1ccc(C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)n1 ZINC000310414103 344696166 /nfs/dbraw/zinc/69/61/66/344696166.db2.gz MSSCFNGRZXGWOZ-LPEHRKFASA-N 1 0 234.303 0.229 10 0 BCAERO CCCCOC[C@H](O)C[N@H+](C)C[C@H]1C[C@@H](O)C1 ZINC000626046358 344697365 /nfs/dbraw/zinc/69/73/65/344697365.db2.gz ADQRENLWIPLNDM-FRRDWIJNSA-N 1 0 245.363 0.867 10 0 BCAERO Cn1cc(C(=O)N2CC[C@@H]([NH+](C)C)C2)cn1 ZINC000082279299 344713822 /nfs/dbraw/zinc/71/38/22/344713822.db2.gz AGTJSXOLMVWUDG-SNVBAGLBSA-N 1 0 222.292 0.196 10 0 BCAERO C[C@@H]1C[NH2+][C@H]([C@@H]2CCOC2)C[S@@]1=O ZINC000158671177 344715295 /nfs/dbraw/zinc/71/52/95/344715295.db2.gz BJDADROIDDDNEM-RVBSWOSCSA-N 1 0 203.307 0.132 10 0 BCAERO CCOC(=O)CCC(=O)N(CC)[C@@H]1CC[NH2+]C1 ZINC000310506077 344754759 /nfs/dbraw/zinc/75/47/59/344754759.db2.gz SPTLRQMUWCPJMP-SNVBAGLBSA-N 1 0 242.319 0.540 10 0 BCAERO C[C@@](O)(C[C@@H]1COCC[NH2+]1)C(F)(F)F ZINC000166204570 344788539 /nfs/dbraw/zinc/78/85/39/344788539.db2.gz SNGQCJRZNUBQHG-RNFRBKRXSA-N 1 0 213.199 0.678 10 0 BCAERO CC(C)[C@H](C[NH3+])C(=O)N1CCC(O)CC1 ZINC000044793272 187292759 /nfs/dbraw/zinc/29/27/59/187292759.db2.gz LFBNTOPQKCAYQB-JTQLQIEISA-N 1 0 214.309 0.201 10 0 BCAERO CCCCS(=O)(=O)N1CCC2(C[NH2+]C2)C1 ZINC000675053218 537862395 /nfs/dbraw/zinc/86/23/95/537862395.db2.gz GEABOTNHJVQCSW-UHFFFAOYSA-N 1 0 232.349 0.412 10 0 BCAERO CSCCNC(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000382044806 347078504 /nfs/dbraw/zinc/07/85/04/347078504.db2.gz YWZIKDVDWVDZNK-RKDXNWHRSA-N 1 0 216.350 0.854 10 0 BCAERO C[NH2+][C@H](C)C(=O)NCCCCOCCOC ZINC000166992705 323078172 /nfs/dbraw/zinc/07/81/72/323078172.db2.gz NHZSYRCJLMZQKJ-SNVBAGLBSA-N 1 0 232.324 0.154 10 0 BCAERO [NH3+]CC1(C(=O)Nc2cnns2)CCC1 ZINC000166295251 344846361 /nfs/dbraw/zinc/84/63/61/344846361.db2.gz AMZKCRDKYHWBPN-UHFFFAOYSA-N 1 0 212.278 0.606 10 0 BCAERO [NH3+]CCC(=O)N[C@H]1CCCCC[C@H]1O ZINC000135676511 344844896 /nfs/dbraw/zinc/84/48/96/344844896.db2.gz RSPKMNPJNMQARO-DTWKUNHWSA-N 1 0 200.282 0.145 10 0 BCAERO [NH3+]CCC(=O)N[C@@H]1CCCCC[C@@H]1O ZINC000135676618 344845744 /nfs/dbraw/zinc/84/57/44/344845744.db2.gz RSPKMNPJNMQARO-BDAKNGLRSA-N 1 0 200.282 0.145 10 0 BCAERO Cn1ccc(C(=O)CN2CCC[C@H]([NH3+])C2)c1 ZINC000050149868 187294843 /nfs/dbraw/zinc/29/48/43/187294843.db2.gz YOMHBMYKTCXNSC-NSHDSACASA-N 1 0 221.304 0.631 10 0 BCAERO [NH3+]C[C@@H](n1ncccc1=O)C(F)(F)F ZINC000061401674 344929059 /nfs/dbraw/zinc/92/90/59/344929059.db2.gz SHLFJFWJBCQPPG-RXMQYKEDSA-N 1 0 207.155 0.305 10 0 BCAERO Cc1ccn(CCC[C@@](C)([NH3+])C(N)=O)n1 ZINC000070686733 537879043 /nfs/dbraw/zinc/87/90/43/537879043.db2.gz UKQNLEPWKJMETB-SNVBAGLBSA-N 1 0 210.281 0.174 10 0 BCAERO [NH3+][C@H]1CC[C@H](NC(=O)[C@@H]2CCOC2)CC1 ZINC000238694505 344941497 /nfs/dbraw/zinc/94/14/97/344941497.db2.gz KZNAICVCHBVHLG-BBBLOLIVSA-N 1 0 212.293 0.409 10 0 BCAERO CC[NH2+][C@H](CCn1nccc1C)C(N)=O ZINC000070687188 537879632 /nfs/dbraw/zinc/87/96/32/537879632.db2.gz PNQGGSIOJPBQGS-SECBINFHSA-N 1 0 210.281 0.045 10 0 BCAERO C[C@H]1SCC[C@]1(C[NH3+])N1CCOCC1 ZINC000235667639 344975858 /nfs/dbraw/zinc/97/58/58/344975858.db2.gz HADLSVNKLLUVBE-NXEZZACHSA-N 1 0 216.350 0.542 10 0 BCAERO C[C@@H]1C[C@H](C)[C@H](C)[N@@H+]([C@@H](CN)CO)C1 ZINC000166641625 344948401 /nfs/dbraw/zinc/94/84/01/344948401.db2.gz TUSXKCJBANABEX-RCWTZXSCSA-N 1 0 200.326 0.672 10 0 BCAERO C[C@@H]1C[C@H](C)[C@H](C)[N@@H+]([C@@H](C[NH3+])C(=O)[O-])C1 ZINC000166648682 344950472 /nfs/dbraw/zinc/95/04/72/344950472.db2.gz QCIPQGLLCXMQQL-KATARQTJSA-N 1 0 214.309 0.765 10 0 BCAERO C[C@H]1OCC[C@H]1CNC(=O)C(C)(C)[NH3+] ZINC000235596051 344950581 /nfs/dbraw/zinc/95/05/81/344950581.db2.gz NJEXKUHMXOHUDN-SFYZADRCSA-N 1 0 200.282 0.265 10 0 BCAERO C[C@@H](C[NH3+])[C@@H](O)c1ncc(Cl)n1C ZINC000301041347 537883289 /nfs/dbraw/zinc/88/32/89/537883289.db2.gz WMAXBYKWFIKLPV-CAHLUQPWSA-N 1 0 203.673 0.702 10 0 BCAERO COc1cc([C@@H]([NH3+])CCO)cc2c1OCO2 ZINC000044236238 344987319 /nfs/dbraw/zinc/98/73/19/344987319.db2.gz WDWNUUVZVSODBC-QMMMGPOBSA-N 1 0 225.244 0.806 10 0 BCAERO CN(c1ccc(C[NH3+])nn1)[C@H]1CCSC1 ZINC000051396753 187298841 /nfs/dbraw/zinc/29/88/41/187298841.db2.gz ZLPUKEKXRLLCBW-VIFPVBQESA-N 1 0 224.333 0.877 10 0 BCAERO OCCc1ccc([C@@H]2C[NH2+]CCN2)cc1 ZINC000044381493 345046316 /nfs/dbraw/zinc/04/63/16/345046316.db2.gz AZTHRFYONVZSJS-LBPRGKRZSA-N 1 0 206.289 0.455 10 0 BCAERO NC(=S)[C@@H]1CCC[N@@H+]1[C@@H]1CCCOC1 ZINC000224849672 345018188 /nfs/dbraw/zinc/01/81/88/345018188.db2.gz KBMKEWRHWCNADU-BDAKNGLRSA-N 1 0 214.334 0.916 10 0 BCAERO Cc1ccc(OCC(N)=O)c([C@H](C)[NH3+])c1 ZINC000035629419 178810923 /nfs/dbraw/zinc/81/09/23/178810923.db2.gz OUBCWSCORGKXLE-QMMMGPOBSA-N 1 0 208.261 0.879 10 0 BCAERO C[C@@H]1C[C@@H]1[NH2+][C@@H]1CCCS(=O)(=O)CC1 ZINC000634959312 345132806 /nfs/dbraw/zinc/13/28/06/345132806.db2.gz NJSZYMLRCMXEHC-BBBLOLIVSA-N 1 0 217.334 0.952 10 0 BCAERO C[C@@H]1C[C@H](N[C@@H]2CCCNC2=O)CC[N@@H+]1C ZINC000156198590 345134601 /nfs/dbraw/zinc/13/46/01/345134601.db2.gz QLWSMQFVIVBHBR-GMTAPVOTSA-N 1 0 225.336 0.337 10 0 BCAERO C[NH2+][C@H](Cn1cc(C(C)C)cn1)C(N)=O ZINC000402125393 537890153 /nfs/dbraw/zinc/89/01/53/537890153.db2.gz NEDRYVOAGFKVRB-SECBINFHSA-N 1 0 210.281 0.080 10 0 BCAERO C[C@@H]1C[C@H](C(F)F)N2[NH+]=C(N)NC2=N1 ZINC000720939860 537891222 /nfs/dbraw/zinc/89/12/22/537891222.db2.gz GAFFPTDUQIMKAP-QWWZWVQMSA-N 1 0 203.196 0.113 10 0 BCAERO CCC[C@H]([NH3+])C(=O)NCCC(=O)NC(C)C ZINC000158295486 345314047 /nfs/dbraw/zinc/31/40/47/345314047.db2.gz PSQLCIIONUVEOS-VIFPVBQESA-N 1 0 229.324 0.145 10 0 BCAERO C(N[C@H]1CC[NH2+]C1)[C@H]1CSCCS1 ZINC000229584917 187301604 /nfs/dbraw/zinc/30/16/04/187301604.db2.gz ODZBWKJLJYSLPT-IUCAKERBSA-N 1 0 218.391 0.787 10 0 BCAERO C[C@H]1C[C@@H](C(F)F)N2[NH+]=C(N)NC2=N1 ZINC000720939858 537892994 /nfs/dbraw/zinc/89/29/94/537892994.db2.gz GAFFPTDUQIMKAP-IMJSIDKUSA-N 1 0 203.196 0.113 10 0 BCAERO CCCn1nccc1C1=C[C@@H]([NH3+])CNC1 ZINC000675077705 537896469 /nfs/dbraw/zinc/89/64/69/537896469.db2.gz HMEITYRBEUWHKR-SNVBAGLBSA-N 1 0 206.293 0.607 10 0 BCAERO CO[C@H](C)C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000158879706 345386068 /nfs/dbraw/zinc/38/60/68/345386068.db2.gz HKSBESNXUWRJEN-AXFHLTTASA-N 1 0 228.336 0.866 10 0 BCAERO C[C@@H]1OCC[C@H]1N(C)C(=O)C(C)(C)[NH3+] ZINC000134679531 345419040 /nfs/dbraw/zinc/41/90/40/345419040.db2.gz QTAKKCXLSZXUNJ-JGVFFNPUSA-N 1 0 200.282 0.360 10 0 BCAERO C[C@@]1(C(=O)NCC(F)F)CCC[C@@H]1[NH3+] ZINC000134944952 345426536 /nfs/dbraw/zinc/42/65/36/345426536.db2.gz SOWHPCWFYAAOQG-IMTBSYHQSA-N 1 0 206.236 0.885 10 0 BCAERO C[C@]1(C(=O)NCc2cc[nH]n2)CCCC[NH2+]1 ZINC000159571534 345443326 /nfs/dbraw/zinc/44/33/26/345443326.db2.gz CIWYQAOXKKCJMY-LLVKDONJSA-N 1 0 222.292 0.558 10 0 BCAERO COC[C@H]([NH3+])C(=O)N1CCC[C@H]1c1cccnc1 ZINC000159624216 345450091 /nfs/dbraw/zinc/45/00/91/345450091.db2.gz ILEVYYIXSJEMHC-RYUDHWBXSA-N 1 0 249.314 0.719 10 0 BCAERO Nc1cc2c(cc1NC(=O)[C@@H]1CC[NH2+]C1)OCO2 ZINC000159577391 345470118 /nfs/dbraw/zinc/47/01/18/345470118.db2.gz QXDGQYSXHZMLKU-SSDOTTSWSA-N 1 0 249.270 0.546 10 0 BCAERO C[C@@H](NC(=O)[C@]1(C)CCCC[NH2+]1)C(=O)N(C)C ZINC000136169865 345483807 /nfs/dbraw/zinc/48/38/07/345483807.db2.gz BZLWTRNNCAIEEN-SKDRFNHKSA-N 1 0 241.335 0.112 10 0 BCAERO [NH3+]CCN1C[C@@H](c2cn[nH]n2)Nc2ccccc21 ZINC000616692025 345546186 /nfs/dbraw/zinc/54/61/86/345546186.db2.gz ITRJDFDGFUOOAU-NSHDSACASA-N 1 0 244.302 0.737 10 0 BCAERO COC[C@@H]([NH3+])C(=O)Nc1ccc(CCO)cc1 ZINC000159816910 345555899 /nfs/dbraw/zinc/55/58/99/345555899.db2.gz OZWACEOIHYFYGP-LLVKDONJSA-N 1 0 238.287 0.134 10 0 BCAERO COC[C@H]([NH3+])C(=O)N1CCOc2ccccc21 ZINC000159832895 345558284 /nfs/dbraw/zinc/55/82/84/345558284.db2.gz UGXJOUDBKSXYMI-VIFPVBQESA-N 1 0 236.271 0.386 10 0 BCAERO CNC(=O)C1CC[NH+]([C@@H](C)C(C)=O)CC1 ZINC000050877980 345575677 /nfs/dbraw/zinc/57/56/77/345575677.db2.gz AHLAXJKOVOGLLH-QMMMGPOBSA-N 1 0 212.293 0.422 10 0 BCAERO c1cnc(N2CC[C@H]3[NH2+]CC[C@H]3C2)nc1 ZINC000253184410 345631742 /nfs/dbraw/zinc/63/17/42/345631742.db2.gz NSUBKJAZGVOGCI-VHSXEESVSA-N 1 0 204.277 0.665 10 0 BCAERO CC(C)(C)[S@@](=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000236731875 192089626 /nfs/dbraw/zinc/08/96/26/192089626.db2.gz HNDQXXMSHJEWIM-FVMDXXJSSA-N 1 0 246.376 0.402 10 0 BCAERO NNc1nc2c(n[nH+]1)Nc1ccccc1N2 ZINC000206651228 345757881 /nfs/dbraw/zinc/75/78/81/345757881.db2.gz YZVLKPGZZFESAK-UHFFFAOYSA-N 1 0 215.220 0.958 10 0 BCAERO C[NH2+]C[C@H](O)COc1ccc2[nH]c(=O)ccc2c1 ZINC000034218753 345819363 /nfs/dbraw/zinc/81/93/63/345819363.db2.gz DVTWMVKQTUVAGC-JTQLQIEISA-N 1 0 248.282 0.487 10 0 BCAERO [NH3+]C[C@@H](n1ccc(=O)cc1)C(F)(F)F ZINC000061627649 345761221 /nfs/dbraw/zinc/76/12/21/345761221.db2.gz NXCURPWLYQHLMX-SSDOTTSWSA-N 1 0 206.167 0.910 10 0 BCAERO CCCCOC[C@H](O)C[N@@H+]1CC[C@H](CCO)C1 ZINC000300296252 345778762 /nfs/dbraw/zinc/77/87/62/345778762.db2.gz WEDMMTYTTAXFBC-CHWSQXEVSA-N 1 0 245.363 0.868 10 0 BCAERO C[C@@H](C[NH3+])[C@H](O)c1c(Cl)cnn1C ZINC000306219985 537912343 /nfs/dbraw/zinc/91/23/43/537912343.db2.gz NRIYASHIIDYOHK-XNCJUZBTSA-N 1 0 203.673 0.702 10 0 BCAERO C[C@H]1C[C@@H](C(F)(F)F)N2CC[NH+]=C2N1 ZINC000235713813 345792348 /nfs/dbraw/zinc/79/23/48/345792348.db2.gz AVWGGAFTMNFEFE-WDSKDSINSA-N 1 0 207.199 0.971 10 0 BCAERO COC[C@@H]1CC[C@@H]([C@@H]2COCC[NH2+]2)O1 ZINC000306185774 537911990 /nfs/dbraw/zinc/91/19/90/537911990.db2.gz MXQJJCWDEUAXPA-GUBZILKMSA-N 1 0 201.266 0.169 10 0 BCAERO CC[C@H]([NH2+]C)[C@@H]1CCCCS1(=O)=O ZINC000166801812 345826340 /nfs/dbraw/zinc/82/63/40/345826340.db2.gz GEJHATYXWCJQJX-IUCAKERBSA-N 1 0 205.323 0.952 10 0 BCAERO OC[C@H]1C[NH2+]C[C@@H](OCc2ccccc2)[C@@H]1O ZINC000034505625 345829498 /nfs/dbraw/zinc/82/94/98/345829498.db2.gz VRYOSYRKUMQQTL-JHJVBQTASA-N 1 0 237.299 0.144 10 0 BCAERO O=C1C[C@@H](CN2CC[NH2+]CC2)Cc2occc21 ZINC000034506567 345830307 /nfs/dbraw/zinc/83/03/07/345830307.db2.gz LCOHQDBDZRALTJ-SNVBAGLBSA-N 1 0 234.299 0.930 10 0 BCAERO [NH3+]C(CO)(CO)[C@@H]1CCc2cc(O)ccc2C1 ZINC000142534255 345863328 /nfs/dbraw/zinc/86/33/28/345863328.db2.gz WVKUZTWBLWKFCL-LLVKDONJSA-N 1 0 237.299 0.179 10 0 BCAERO CCC[NH2+][C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O ZINC000306431764 537914581 /nfs/dbraw/zinc/91/45/81/537914581.db2.gz UQGVXNABKACSFU-VHSXEESVSA-N 1 0 244.335 0.966 10 0 BCAERO Cn1ccs/c1=N\C(=O)C[C@H]1CCC[NH2+]1 ZINC000163230521 187360173 /nfs/dbraw/zinc/36/01/73/187360173.db2.gz LJWADDROOCDZSH-GLFQRJSBSA-N 1 0 225.317 0.656 10 0 BCAERO Cc1cnn([C@@H](C)C[C@@](C)([NH3+])C(N)=O)c1 ZINC000082800501 537922917 /nfs/dbraw/zinc/92/29/17/537922917.db2.gz XHCYCDCMWKWRSI-WCBMZHEXSA-N 1 0 210.281 0.345 10 0 BCAERO Cc1cnn([C@H](C)C[C@@](C)([NH3+])C(N)=O)c1 ZINC000082800502 537924050 /nfs/dbraw/zinc/92/40/50/537924050.db2.gz XHCYCDCMWKWRSI-PSASIEDQSA-N 1 0 210.281 0.345 10 0 BCAERO CCNC(=O)[C@@H](C)NC(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000094647568 345991098 /nfs/dbraw/zinc/99/10/98/345991098.db2.gz RZMIPBMHQRGLAG-OPRDCNLKSA-N 1 0 241.335 0.015 10 0 BCAERO CC(C)C[C@@H]1CS(=O)(=O)CC[C@H]1[NH3+] ZINC000082379285 187315231 /nfs/dbraw/zinc/31/52/31/187315231.db2.gz SALDPCOGFKLXJI-RKDXNWHRSA-N 1 0 205.323 0.795 10 0 BCAERO CC(C)[C@H]([NH3+])C(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000040457841 537948269 /nfs/dbraw/zinc/94/82/69/537948269.db2.gz AYMDNTIHMICLTC-BBBLOLIVSA-N 1 0 214.309 0.606 10 0 BCAERO Cc1coc(S[C@H]2C[NH2+]C[C@H]2O)n1 ZINC000235942537 346173551 /nfs/dbraw/zinc/17/35/51/346173551.db2.gz JQBAZTUQNFORQN-RQJHMYQMSA-N 1 0 200.263 0.408 10 0 BCAERO CCCC(=O)NCC(=O)N1CCCC[C@H]1C[NH3+] ZINC000131085139 168545340 /nfs/dbraw/zinc/54/53/40/168545340.db2.gz KVKZAAJYGUIBTF-JTQLQIEISA-N 1 0 241.335 0.243 10 0 BCAERO C[C@@H](C(N)=S)[N@@H+]1CCCO[C@H](C)C1 ZINC000061918548 346180280 /nfs/dbraw/zinc/18/02/80/346180280.db2.gz SPVKLGLERKJHLS-SFYZADRCSA-N 1 0 202.323 0.772 10 0 BCAERO [NH3+]C[C@@H](N1CCCOCC1)C(F)(F)F ZINC000061914034 346180356 /nfs/dbraw/zinc/18/03/56/346180356.db2.gz QYUJAZQLAAUWQP-SSDOTTSWSA-N 1 0 212.215 0.598 10 0 BCAERO O=C(C(F)F)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000236131887 346197451 /nfs/dbraw/zinc/19/74/51/346197451.db2.gz UDZVKOTWMVQINS-NKWVEPMBSA-N 1 0 204.220 0.462 10 0 BCAERO CCOC[C@@H](O)C[NH2+][C@H](CC(C)C)CN(C)C ZINC000069278122 349943676 /nfs/dbraw/zinc/94/36/76/349943676.db2.gz PKZAQRVKRRHDSH-OLZOCXBDSA-N 1 0 246.395 0.950 10 0 BCAERO C[C@H](O)c1cncc(N2CC[NH2+]CC2)c1 ZINC000167333267 346235708 /nfs/dbraw/zinc/23/57/08/346235708.db2.gz CAUOJCDGZSTWOX-VIFPVBQESA-N 1 0 207.277 0.545 10 0 BCAERO [NH3+][C@@H]1CCOC[C@H]1Sc1ncco1 ZINC000236311795 346224973 /nfs/dbraw/zinc/22/49/73/346224973.db2.gz JAJMKYLPBCGWDJ-RNFRBKRXSA-N 1 0 200.263 0.883 10 0 BCAERO [NH3+][C@H]1COCCN(Cc2ccccc2)C1 ZINC000034217048 346226102 /nfs/dbraw/zinc/22/61/02/346226102.db2.gz AAJPISLWSKALAE-GFCCVEGCSA-N 1 0 206.289 0.846 10 0 BCAERO CNS(=O)(=O)[C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000669375939 537959542 /nfs/dbraw/zinc/95/95/42/537959542.db2.gz ZERGUBBKWBMKAM-IWSPIJDZSA-N 1 0 220.338 0.264 10 0 BCAERO [NH3+][C@@]1(Cc2cscn2)CCS(=O)(=O)C1 ZINC000167467674 346251558 /nfs/dbraw/zinc/25/15/58/346251558.db2.gz AFCKJWRUJGTYIC-MRVPVSSYSA-N 1 0 232.330 0.202 10 0 BCAERO Cc1cccc(C(=O)N2CCN(CC[NH3+])CC2)c1 ZINC000020181613 179010296 /nfs/dbraw/zinc/01/02/96/179010296.db2.gz NNOMFNBQILCKBD-UHFFFAOYSA-N 1 0 247.342 0.712 10 0 BCAERO C[C@@H](C[NH3+])[C@H](O)c1cc(Br)nn1C ZINC000669377305 537964193 /nfs/dbraw/zinc/96/41/93/537964193.db2.gz LZBNSXBTLHRSNN-XNCJUZBTSA-N 1 0 248.124 0.811 10 0 BCAERO C=CN1C(=[NH2+])S[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC000136747050 346296305 /nfs/dbraw/zinc/29/63/05/346296305.db2.gz RCLIZULLOCCJRH-NTSWFWBYSA-N 1 0 218.303 0.279 10 0 BCAERO Cc1nc2n(n1)C[C@H]([NH2+]CC(C)(C)O)CC2 ZINC000381540497 346301751 /nfs/dbraw/zinc/30/17/51/346301751.db2.gz HPEMZWGIKLWKPF-SECBINFHSA-N 1 0 224.308 0.262 10 0 BCAERO C[C@@H](C[NH3+])[C@H](O)c1cnn(C)c1Cl ZINC000669378034 537965949 /nfs/dbraw/zinc/96/59/49/537965949.db2.gz RDKDFOMSJWJARL-FSPLSTOPSA-N 1 0 203.673 0.702 10 0 BCAERO CC(C)C[C@H]([NH3+])C(=O)NC1=NCCS1 ZINC000236672971 346287146 /nfs/dbraw/zinc/28/71/46/346287146.db2.gz GWOKGBXXHLHTAW-ZETCQYMHSA-N 1 0 215.322 0.579 10 0 BCAERO C[C@@H](C[NH3+])[C@@]1(O)CCCC2(C1)OCCO2 ZINC000669378054 537966155 /nfs/dbraw/zinc/96/61/55/537966155.db2.gz TWSUZFDYAVRFDS-VHSXEESVSA-N 1 0 215.293 0.629 10 0 BCAERO C[C@@]([NH3+])(CCNC(=O)[C@H]1CCOC1)C(F)F ZINC000669378263 537969108 /nfs/dbraw/zinc/96/91/08/537969108.db2.gz BUCIXDXMYYCUND-OIBJUYFYSA-N 1 0 236.262 0.512 10 0 BCAERO CC(C)[N@H+](C)C[C@@H]1C[NH2+]C[C@@H](C(=O)[O-])C1 ZINC000669378571 537967789 /nfs/dbraw/zinc/96/77/89/537967789.db2.gz HILGGEMEASCSDD-UWVGGRQHSA-N 1 0 214.309 0.637 10 0 BCAERO COCC(=O)N1CCCC[C@@H](C[NH3+])C1 ZINC000308711512 537967828 /nfs/dbraw/zinc/96/78/28/537967828.db2.gz YYXKYDCTNSBUPA-VIFPVBQESA-N 1 0 200.282 0.220 10 0 BCAERO CC[NH+](CC)C[C@H]1C[NH2+]C[C@@H](C(=O)[O-])C1 ZINC000669378587 537968166 /nfs/dbraw/zinc/96/81/66/537968166.db2.gz HZPPVQUQZJSADJ-ZJUUUORDSA-N 1 0 214.309 0.639 10 0 BCAERO C[NH2+][C@H](C)C(=O)N1CCC(COC)CC1 ZINC000069633002 349951621 /nfs/dbraw/zinc/95/16/21/349951621.db2.gz RFLBIAQLRWLGJV-SECBINFHSA-N 1 0 214.309 0.479 10 0 BCAERO C[NH+](C)C[C@@](C)(O)CNC(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000300695699 346319627 /nfs/dbraw/zinc/31/96/27/346319627.db2.gz PPPHYIMWTZGXIH-NOHGZBONSA-N 1 0 240.347 0.461 10 0 BCAERO O=C([O-])[C@H]1C[NH2+]C[C@@H](C[NH+]2CCCCC2)C1 ZINC000669378566 537968683 /nfs/dbraw/zinc/96/86/83/537968683.db2.gz HDLUARLHUXZPAM-WDEREUQCSA-N 1 0 226.320 0.783 10 0 BCAERO C[C@@]([NH3+])(CCNC(=O)[C@@H]1CCOC1)C(F)F ZINC000669378262 537968925 /nfs/dbraw/zinc/96/89/25/537968925.db2.gz BUCIXDXMYYCUND-GMSGAONNSA-N 1 0 236.262 0.512 10 0 BCAERO C[NH2+]CCN(C(=O)CCOC)C(C)C ZINC000669378592 537968984 /nfs/dbraw/zinc/96/89/84/537968984.db2.gz IQNBFIAHMJMBLX-UHFFFAOYSA-N 1 0 202.298 0.479 10 0 BCAERO Cc1nc(CN2CC[C@H](CCO)C2)no1 ZINC000161597150 346340693 /nfs/dbraw/zinc/34/06/93/346340693.db2.gz JVIAENOWYQAPBS-SECBINFHSA-N 1 0 211.265 0.582 10 0 BCAERO CC(C)(O)C[NH+]1CCN(C2CCC2)CC1 ZINC000172198633 346388170 /nfs/dbraw/zinc/38/81/70/346388170.db2.gz KIOSXGFUBSTALV-UHFFFAOYSA-N 1 0 212.337 0.927 10 0 BCAERO C[NH2+]CCN(C(C)C)S(=O)(=O)C(C)C ZINC000669379019 537972338 /nfs/dbraw/zinc/97/23/38/537972338.db2.gz SNHXHNJUSWCKIB-UHFFFAOYSA-N 1 0 222.354 0.654 10 0 BCAERO CCC[C@H](O)CNC(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000158156570 346390810 /nfs/dbraw/zinc/39/08/10/346390810.db2.gz PVKRBDZLMBBNOU-DCAQKATOSA-N 1 0 228.336 0.781 10 0 BCAERO CCCCS(=O)(=O)N1CCC[NH2+]C2(CC2)C1 ZINC000725241841 537980196 /nfs/dbraw/zinc/98/01/96/537980196.db2.gz RVCKFPMPXCCORE-UHFFFAOYSA-N 1 0 246.376 0.944 10 0 BCAERO C[C@@H]1C[NH2+]CC[C@]1(C(=O)[O-])[NH+]1CCCC1 ZINC000229564008 346437936 /nfs/dbraw/zinc/43/79/36/346437936.db2.gz WMTQAQZTJSXPCG-KOLCDFICSA-N 1 0 212.293 0.535 10 0 BCAERO O=C1OC[C@]2(CO)C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000575154501 346438755 /nfs/dbraw/zinc/43/87/55/346438755.db2.gz BJWMDBOXVFSTIP-GXTWGEPZSA-N 1 0 247.294 0.654 10 0 BCAERO C[C@@H]1C[NH2+]CCN1Cc1nc(CO)cs1 ZINC000669379520 537978767 /nfs/dbraw/zinc/97/87/67/537978767.db2.gz FGHRFPPZJQSGFL-MRVPVSSYSA-N 1 0 227.333 0.429 10 0 BCAERO C[C@H]1C[NH2+]CCN1Cc1nc(CO)cs1 ZINC000669379522 537978947 /nfs/dbraw/zinc/97/89/47/537978947.db2.gz FGHRFPPZJQSGFL-QMMMGPOBSA-N 1 0 227.333 0.429 10 0 BCAERO [NH3+][C@@H]1CCN(C[C@@H]2CSCCS2)C1=O ZINC000229613826 346443015 /nfs/dbraw/zinc/44/30/15/346443015.db2.gz RVPZZHRNYOQUTR-HTQZYQBOSA-N 1 0 232.374 0.395 10 0 BCAERO Nc1ncccc1CC(=O)[C@H]1CCC[NH2+]1 ZINC000167664993 346455787 /nfs/dbraw/zinc/45/57/87/346455787.db2.gz FEEXUNSZIREKCW-SECBINFHSA-N 1 0 205.261 0.527 10 0 BCAERO C[NH+](C)[C@H]1CCN(C(=O)NCc2cc[nH]n2)C1 ZINC000170831338 346457212 /nfs/dbraw/zinc/45/72/12/346457212.db2.gz RUHVELDUQWMCOF-JTQLQIEISA-N 1 0 237.307 0.255 10 0 BCAERO COCC[C@H](C)NC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170836098 346459622 /nfs/dbraw/zinc/45/96/22/346459622.db2.gz UDLLCCVENXSFSY-QWRGUYRKSA-N 1 0 243.351 0.757 10 0 BCAERO NC(=O)[C@@H]([NH3+])Cc1ccc(Br)cn1 ZINC000160605619 346459657 /nfs/dbraw/zinc/45/96/57/346459657.db2.gz ZBEMRCCXOAEMDQ-ZETCQYMHSA-N 1 0 244.092 0.199 10 0 BCAERO CCOCCCNC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170861971 346464396 /nfs/dbraw/zinc/46/43/96/346464396.db2.gz XNRWHNYYRYUMOC-NSHDSACASA-N 1 0 243.351 0.759 10 0 BCAERO C[C@H]1C[NH+]=C(NN2CCOCC2)S1 ZINC000148840222 346464930 /nfs/dbraw/zinc/46/49/30/346464930.db2.gz LCRHTFWVSAAWCE-ZETCQYMHSA-N 1 0 201.295 0.315 10 0 BCAERO OC[C@@H]1CCN([C@@H]2C[C@H]3CCCC[N@@H+]3C2)C1 ZINC000725241636 537981279 /nfs/dbraw/zinc/98/12/79/537981279.db2.gz KKLUMJVCKYEJOA-JHJVBQTASA-N 1 0 224.348 0.927 10 0 BCAERO [NH3+]C[C@H]([C@@H]1CCCO1)N1CCSCC1 ZINC000148888991 346474894 /nfs/dbraw/zinc/47/48/94/346474894.db2.gz JNWLXIICVOIIFJ-ZJUUUORDSA-N 1 0 216.350 0.542 10 0 BCAERO [NH3+]C[C@@H]([C@H]1CCCO1)N1CCSCC1 ZINC000148889178 346475405 /nfs/dbraw/zinc/47/54/05/346475405.db2.gz JNWLXIICVOIIFJ-VHSXEESVSA-N 1 0 216.350 0.542 10 0 BCAERO CCC[C@H]([NH3+])C(=O)NCC1=CC[NH2+]CC1 ZINC000186367780 346503977 /nfs/dbraw/zinc/50/39/77/346503977.db2.gz VSDKIKUIDNAUKW-JTQLQIEISA-N 1 0 211.309 0.150 10 0 BCAERO OC[C@@H]1CCN([C@@H]2C[C@@H]3CCCC[N@@H+]3C2)C1 ZINC000725241635 537982255 /nfs/dbraw/zinc/98/22/55/537982255.db2.gz KKLUMJVCKYEJOA-FRRDWIJNSA-N 1 0 224.348 0.927 10 0 BCAERO C[C@H](NC(=O)[C@@H]1CC[NH2+]C1)c1cscn1 ZINC000580097637 346522764 /nfs/dbraw/zinc/52/27/64/346522764.db2.gz UOVDZSUUBZBMFO-JGVFFNPUSA-N 1 0 225.317 0.930 10 0 BCAERO Cc1cccc(N(C)C(=O)[C@H]2C[NH2+][C@@H](C)CN2)c1 ZINC000062815455 179114230 /nfs/dbraw/zinc/11/42/30/179114230.db2.gz UGMFSMJJNLFNCJ-WCQYABFASA-N 1 0 247.342 0.908 10 0 BCAERO COCC1(CC(=O)N2C[C@H]([NH3+])[C@@H](C)C2)CC1 ZINC000401264374 346537918 /nfs/dbraw/zinc/53/79/18/346537918.db2.gz SJCSQNVQYKLZPJ-UWVGGRQHSA-N 1 0 226.320 0.609 10 0 BCAERO O[C@@H]1CCCC[C@H]1[NH2+]CCCn1ccnn1 ZINC000163848872 346579848 /nfs/dbraw/zinc/57/98/48/346579848.db2.gz WHENEOUXWDPZRZ-GHMZBOCLSA-N 1 0 224.308 0.561 10 0 BCAERO [NH3+][C@H]1CCC[C@H]1c1nn2cnnc2s1 ZINC000163885342 346581026 /nfs/dbraw/zinc/58/10/26/346581026.db2.gz IGKFMXJNGOEUDA-RITPCOANSA-N 1 0 209.278 0.781 10 0 BCAERO Cc1cccc(NC(=O)C2([NH3+])CCOCC2)n1 ZINC000127726778 179125176 /nfs/dbraw/zinc/12/51/76/179125176.db2.gz TWYLJJUJYWBKMH-UHFFFAOYSA-N 1 0 235.287 0.836 10 0 BCAERO CC(C)(C)[C@@H]([NH3+])C(=O)N1CCCCO1 ZINC000164316447 346600601 /nfs/dbraw/zinc/60/06/01/346600601.db2.gz RVJUBSPMJNMGJI-QMMMGPOBSA-N 1 0 200.282 0.914 10 0 BCAERO C[C@H]([C@@H](C)C[NH3+])n1cc(S(C)(=O)=O)cn1 ZINC000725242382 537984269 /nfs/dbraw/zinc/98/42/69/537984269.db2.gz YKSVQSFAGZZNTO-JGVFFNPUSA-N 1 0 231.321 0.442 10 0 BCAERO OC1(C[NH2+]CCOCC2CC2)CCOCC1 ZINC000563617971 323131780 /nfs/dbraw/zinc/13/17/80/323131780.db2.gz LUYVTHWGZFNKLU-UHFFFAOYSA-N 1 0 229.320 0.544 10 0 BCAERO C[C@@H]1CC[C@@H](NS(=O)(=O)C(F)F)C[NH2+]1 ZINC000164764187 346624267 /nfs/dbraw/zinc/62/42/67/346624267.db2.gz ZHVXULRVEDEXCJ-PHDIDXHHSA-N 1 0 228.264 0.269 10 0 BCAERO CC(=O)CCC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000203413437 346633690 /nfs/dbraw/zinc/63/36/90/346633690.db2.gz WVBIYLVOGDDOOE-JTQLQIEISA-N 1 0 212.293 0.518 10 0 BCAERO CC(C)CNC(=[NH2+])[C@@H]1CCS(=O)(=O)C1 ZINC000167413027 346708811 /nfs/dbraw/zinc/70/88/11/346708811.db2.gz ZULBQTPYUZWDCI-MRVPVSSYSA-N 1 0 218.322 0.644 10 0 BCAERO C[NH2+][C@H](C)C(=O)N(C)C[C@H]1CCC[C@H]1O ZINC000580210880 346681968 /nfs/dbraw/zinc/68/19/68/346681968.db2.gz HEHYONJCOSGZFT-OPRDCNLKSA-N 1 0 214.309 0.214 10 0 BCAERO C[C@H](C[NH3+])Cn1cc(Cl)cnc1=O ZINC000168199002 346730204 /nfs/dbraw/zinc/73/02/04/346730204.db2.gz BDFYVDODACIDTE-ZCFIWIBFSA-N 1 0 201.657 0.492 10 0 BCAERO COC[C@H](C)C[NH2+][C@@H]1CCCn2ncnc21 ZINC000188082112 346741156 /nfs/dbraw/zinc/74/11/56/346741156.db2.gz GNDKBVFSBCKRJW-NXEZZACHSA-N 1 0 224.308 0.985 10 0 BCAERO CC1(C)C[NH+]=C(NCCC(N)=O)SC1 ZINC000168734058 346741853 /nfs/dbraw/zinc/74/18/53/346741853.db2.gz YOJAQCLRJSJPAQ-UHFFFAOYSA-N 1 0 215.322 0.580 10 0 BCAERO Cn1cnc2c1[C@@](C)([C@@H]1CCCO1)[NH2+]CC2 ZINC000725242555 537986988 /nfs/dbraw/zinc/98/69/88/537986988.db2.gz FPTOGWPEUCOFOF-CMPLNLGQSA-N 1 0 221.304 0.960 10 0 BCAERO CO[C@@H](C)C[N@@H+]1CCC[NH2+]C[C@H](C)C1 ZINC000299893032 347151313 /nfs/dbraw/zinc/15/13/13/347151313.db2.gz GXTQWJCHSMTNPB-QWRGUYRKSA-N 1 0 200.326 0.953 10 0 BCAERO Cc1cccc([C@@H]([C@H](C)[NH3+])N2CCNC(=O)C2)c1 ZINC000042965510 179187932 /nfs/dbraw/zinc/18/79/32/179187932.db2.gz UXEWQFQTYJNMFJ-SMDDNHRTSA-N 1 0 247.342 0.815 10 0 BCAERO CCc1c(C)cc2nc(C3C[NH2+]C3)nn2c1O ZINC000725243059 537988736 /nfs/dbraw/zinc/98/87/36/537988736.db2.gz HYNJASXVIGNZKL-UHFFFAOYSA-N 1 0 232.287 0.993 10 0 BCAERO CC(C)[S@](=O)[C@@H]1CC2(CC[C@H]1[NH3+])OCCO2 ZINC000250564491 362810992 /nfs/dbraw/zinc/81/09/92/362810992.db2.gz BFQGYEOSABNPHO-LYGAQUJYSA-N 1 0 247.360 0.766 10 0 BCAERO CCC(C)(C)NC(=O)NC[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000675055292 537989020 /nfs/dbraw/zinc/98/90/20/537989020.db2.gz ZJEYKEXATGUUTQ-MYJAWHEDSA-N 1 0 225.336 0.940 10 0 BCAERO CCOC(=O)C[C@H](O)C[N@@H+]1C[C@H](C)C[C@H](O)C1 ZINC000401604662 347342518 /nfs/dbraw/zinc/34/25/18/347342518.db2.gz DOZWSHFKCQZYGY-VWYCJHECSA-N 1 0 245.319 0.003 10 0 BCAERO CC[C@]1(COC)[NH2+]CCc2ncn(C)c21 ZINC000725242834 537989156 /nfs/dbraw/zinc/98/91/56/537989156.db2.gz XGKQYYVUIWVVKI-LLVKDONJSA-N 1 0 209.293 0.818 10 0 BCAERO CCN1CCC[N@H+](C[C@](C)(O)CC)CC1=O ZINC000190170745 347322399 /nfs/dbraw/zinc/32/23/99/347322399.db2.gz KXGGFBYDHDINGA-GFCCVEGCSA-N 1 0 228.336 0.702 10 0 BCAERO [NH3+][C@@H]1CSC[C@H]1[C@H]1CCS(=O)(=O)C1 ZINC000250796858 362822488 /nfs/dbraw/zinc/82/24/88/362822488.db2.gz AQERVOBYBNYGQS-BIIVOSGPSA-N 1 0 221.347 0.111 10 0 BCAERO CS(=O)(=O)N1CC[C@@H]2CCCC[C@H]2[C@H]1C[NH3+] ZINC000669380450 537989518 /nfs/dbraw/zinc/98/95/18/537989518.db2.gz NNKDMFZUPAQEMR-HBNTYKKESA-N 1 0 246.376 0.785 10 0 BCAERO CC[C@H]1CC[NH2+]C[C@@H]1NC(=O)CC(=O)OC ZINC000616568675 347450400 /nfs/dbraw/zinc/45/04/00/347450400.db2.gz CLTMODNNCZQGJM-IUCAKERBSA-N 1 0 228.292 0.054 10 0 BCAERO CC(C)([NH3+])c1cn(CCC2(O)CCC2)nn1 ZINC000396891296 362838395 /nfs/dbraw/zinc/83/83/95/362838395.db2.gz XHGFXXTZTARZFH-UHFFFAOYSA-N 1 0 224.308 0.777 10 0 BCAERO C[C@H](O)C[N@@H+]1CCCC[C@H]1C(N)=S ZINC000251124329 362839383 /nfs/dbraw/zinc/83/93/83/362839383.db2.gz RVDDEJBZTLGXLY-YUMQZZPRSA-N 1 0 202.323 0.508 10 0 BCAERO C[C@](CC[NH3+])(NS(=O)(=O)C1CC1)C(F)F ZINC000669380562 537990058 /nfs/dbraw/zinc/99/00/58/537990058.db2.gz MZRCLHDGMBYYGZ-MRVPVSSYSA-N 1 0 242.291 0.441 10 0 BCAERO Cc1cnn(CC[NH2+][C@@H]2CCNC(=O)CC2)c1 ZINC000396737872 362831234 /nfs/dbraw/zinc/83/12/34/362831234.db2.gz LZMMJWMSWZIWCS-NSHDSACASA-N 1 0 236.319 0.450 10 0 BCAERO Cc1cnn(CC[NH2+][C@H]2CCNC(=O)CC2)c1 ZINC000396737849 362831467 /nfs/dbraw/zinc/83/14/67/362831467.db2.gz LZMMJWMSWZIWCS-LLVKDONJSA-N 1 0 236.319 0.450 10 0 BCAERO C[C@@H]1C[C@H]1C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000195315612 347446841 /nfs/dbraw/zinc/44/68/41/347446841.db2.gz SVJMHBPMPFWHCZ-GMTAPVOTSA-N 1 0 208.305 0.949 10 0 BCAERO CCC(CC)n1cc(C[NH3+])c(=O)[nH]c1=O ZINC000616569096 347575511 /nfs/dbraw/zinc/57/55/11/347575511.db2.gz QNOLBQFOZCQRBE-UHFFFAOYSA-N 1 0 211.265 0.769 10 0 BCAERO [NH3+][C@@H](CC1CCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000150016696 347588971 /nfs/dbraw/zinc/58/89/71/347588971.db2.gz BSXPFMSRYDYYQF-ZJUUUORDSA-N 1 0 217.334 0.939 10 0 BCAERO CCNC(=O)NCC[C@@](C)([NH3+])C(F)F ZINC000669381055 537991906 /nfs/dbraw/zinc/99/19/06/537991906.db2.gz WZOVTQFSCHVTFR-MRVPVSSYSA-N 1 0 209.240 0.678 10 0 BCAERO CC(C)(O)C[NH+]1CCC(CCO)CC1 ZINC000308432577 347641645 /nfs/dbraw/zinc/64/16/45/347641645.db2.gz YLRQFPXDASASOV-UHFFFAOYSA-N 1 0 201.310 0.852 10 0 BCAERO Cc1ccccc1CN(C)S(=O)(=O)CC[NH3+] ZINC000032100604 179269993 /nfs/dbraw/zinc/26/99/93/179269993.db2.gz RUZOTVOXXRPPOO-UHFFFAOYSA-N 1 0 242.344 0.715 10 0 BCAERO COC[C@@]1(C(=O)N[C@@H](C)CSC)CCC[NH2+]1 ZINC000591614934 347678654 /nfs/dbraw/zinc/67/86/54/347678654.db2.gz BVBCNXIBFNRQIF-GXSJLCMTSA-N 1 0 246.376 0.623 10 0 BCAERO Cc1ccccc1CNC(=O)[C@@H]1C[NH2+][C@H](C)CN1 ZINC000062814638 179279772 /nfs/dbraw/zinc/27/97/72/179279772.db2.gz OSEDXUWBJLNURC-YPMHNXCESA-N 1 0 247.342 0.561 10 0 BCAERO Cc1ccccc1C[NH2+][C@H]1CC(=O)N(C)C1=O ZINC000048265850 179284910 /nfs/dbraw/zinc/28/49/10/179284910.db2.gz QDCPKUUQTYKQAY-NSHDSACASA-N 1 0 232.283 0.842 10 0 BCAERO CCNC(=O)NCC[C@](C)([NH3+])C(F)F ZINC000669381056 537992502 /nfs/dbraw/zinc/99/25/02/537992502.db2.gz WZOVTQFSCHVTFR-QMMMGPOBSA-N 1 0 209.240 0.678 10 0 BCAERO CN(C[C@H]1CCCOC1)C(=O)[C@H]1CC[NH2+]C1 ZINC000082545390 347792791 /nfs/dbraw/zinc/79/27/91/347792791.db2.gz ABGXYRVPPMCGTE-MNOVXSKESA-N 1 0 226.320 0.481 10 0 BCAERO COC(=O)[C@@H]1CCCN(C(=O)C2([NH3+])CCC2)C1 ZINC000593911707 347970011 /nfs/dbraw/zinc/97/00/11/347970011.db2.gz IGSCYJFOLQYBBB-SECBINFHSA-N 1 0 240.303 0.279 10 0 BCAERO COC(=O)[C@@H]1CCCN(C(=O)CCCC[NH3+])C1 ZINC000593912032 347970021 /nfs/dbraw/zinc/97/00/21/347970021.db2.gz SFSSDYPVBYRUER-SNVBAGLBSA-N 1 0 242.319 0.527 10 0 BCAERO COC(=O)[C@@H]1CCCN(C(=O)[C@H](C)[C@H](C)[NH3+])C1 ZINC000593911753 347970141 /nfs/dbraw/zinc/97/01/41/347970141.db2.gz KESCVDUFENGTQF-KXUCPTDWSA-N 1 0 242.319 0.381 10 0 BCAERO Cc1ccccc1[C@@H]([C@H](C)[NH3+])N(C)CC(N)=O ZINC000043034671 179329147 /nfs/dbraw/zinc/32/91/47/179329147.db2.gz NXEVECIBZOCXBI-GXFFZTMASA-N 1 0 235.331 0.800 10 0 BCAERO Cc1ccccc1[C@H](C)NC(=O)C(=O)NCC[NH3+] ZINC000049514523 179335725 /nfs/dbraw/zinc/33/57/25/179335725.db2.gz LZTGVHQUIJZVTN-JTQLQIEISA-N 1 0 249.314 0.247 10 0 BCAERO CC(C)(C)OC(=O)[C@@]1(C[NH3+])CN2CCC1CC2 ZINC000725244277 537995965 /nfs/dbraw/zinc/99/59/65/537995965.db2.gz HBOCPMLZSYEMTA-ZDUSSCGKSA-N 1 0 240.347 0.999 10 0 BCAERO [NH3+]C[C@@H](N1CCCCC1=O)C(F)(F)F ZINC000037169836 348024761 /nfs/dbraw/zinc/02/47/61/348024761.db2.gz UUTVPAPJOAPNIX-ZCFIWIBFSA-N 1 0 210.199 0.889 10 0 BCAERO CC[C@@H]1CCN(C(=O)CCOC)C[C@@H]1[NH3+] ZINC000616570487 348066964 /nfs/dbraw/zinc/06/69/64/348066964.db2.gz MWXKNTPTSDXQSS-ZJUUUORDSA-N 1 0 214.309 0.609 10 0 BCAERO O=C([C@@H]1CCOC1)N1CC[C@H]2[NH2+]CCC[C@@H]21 ZINC000616570648 348079762 /nfs/dbraw/zinc/07/97/62/348079762.db2.gz HCTRJCIPLBIZRR-MXWKQRLJSA-N 1 0 224.304 0.376 10 0 BCAERO Cc1ccccc1[C@H](C[NH3+])N(C)CCO ZINC000020225424 179342182 /nfs/dbraw/zinc/34/21/82/179342182.db2.gz AGFUZIVXNQKNHS-LBPRGKRZSA-N 1 0 208.305 0.919 10 0 BCAERO COC(=O)c1ccc(N(C)CC(C)(C)[NH3+])nn1 ZINC000594693827 348101148 /nfs/dbraw/zinc/10/11/48/348101148.db2.gz WAKUSPKTYXWDIH-UHFFFAOYSA-N 1 0 238.291 0.437 10 0 BCAERO Cc1ccccc1[C@](C)(C(N)=O)N1CC[NH2+]CC1 ZINC000037951614 179350578 /nfs/dbraw/zinc/35/05/78/179350578.db2.gz OOXHFMBAHYSLNE-CQSZACIVSA-N 1 0 247.342 0.601 10 0 BCAERO CCNC(=O)NC1CCC2(CC1)C[NH2+]CCO2 ZINC000725244644 537997898 /nfs/dbraw/zinc/99/78/98/537997898.db2.gz ZZXQVEFDDYOHGJ-UHFFFAOYSA-N 1 0 241.335 0.607 10 0 BCAERO O[C@@]1(C[NH2+]C2CC2)CCNCC1(F)F ZINC000669381975 537999519 /nfs/dbraw/zinc/99/95/19/537999519.db2.gz CIYNOAWNVDABIC-MRVPVSSYSA-N 1 0 206.236 0.098 10 0 BCAERO CC[NH2+][C@@H]1CCN(C(=O)CCC(=O)OCC)C1 ZINC000616571509 348199771 /nfs/dbraw/zinc/19/97/71/348199771.db2.gz HBXFAFFMMKXURZ-SNVBAGLBSA-N 1 0 242.319 0.540 10 0 BCAERO CC[NH2+][C@H]1CCN(C(=O)CCC(=O)OCC)C1 ZINC000616571505 348199986 /nfs/dbraw/zinc/19/99/86/348199986.db2.gz HBXFAFFMMKXURZ-JTQLQIEISA-N 1 0 242.319 0.540 10 0 BCAERO CCSC1(CNC(=O)[C@@H]2CC[NH2+]C2)CC1 ZINC000595258122 348205482 /nfs/dbraw/zinc/20/54/82/348205482.db2.gz KFJNBXPYJMUGMV-SECBINFHSA-N 1 0 228.361 0.998 10 0 BCAERO C[C@@H]1C[C@@H]2[NH2+]C[C@H](C)[S@](=O)[C@@H]2[C@H](C)O1 ZINC000251675242 362897303 /nfs/dbraw/zinc/89/73/03/362897303.db2.gz AGLIDIRLILXKKC-OXZNYSIHSA-N 1 0 217.334 0.661 10 0 BCAERO CS[C@H](C)C(=O)N1[C@H](C)C[NH2+]C[C@H]1C ZINC000152910162 362889208 /nfs/dbraw/zinc/88/92/08/362889208.db2.gz BSSNTFKVYDAEKY-IWSPIJDZSA-N 1 0 216.350 0.947 10 0 BCAERO CS[C@H](C)C(=O)N1[C@@H](C)C[NH2+]C[C@@H]1C ZINC000152910059 362889232 /nfs/dbraw/zinc/88/92/32/362889232.db2.gz BSSNTFKVYDAEKY-XHNCKOQMSA-N 1 0 216.350 0.947 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)O1 ZINC000088140838 362907237 /nfs/dbraw/zinc/90/72/37/362907237.db2.gz ZGGOGNHDWCGOBW-LNFKQOIKSA-N 1 0 226.320 0.668 10 0 BCAERO COC(=O)[C@H](C)N1CC[C@H](C)[C@H]([NH3+])C1 ZINC000251796486 362921538 /nfs/dbraw/zinc/92/15/38/362921538.db2.gz XNQVXDJCXOGDMY-XHNCKOQMSA-N 1 0 200.282 0.217 10 0 BCAERO CCOC(=O)[C@H]1O[C@@]1(C)CC[NH+](C)C ZINC000669382127 538002614 /nfs/dbraw/zinc/00/26/14/538002614.db2.gz ALNGDMMRRSLPOL-SCZZXKLOSA-N 1 0 201.266 0.659 10 0 BCAERO COC(=O)[C@@H]1O[C@]12CCC[C@H]([NH+](C)C)C2 ZINC000669382800 538003130 /nfs/dbraw/zinc/00/31/30/538003130.db2.gz LZSNQOLVRYMJCG-QXEWZRGKSA-N 1 0 213.277 0.801 10 0 BCAERO COC(=O)[C@@H]1CCCCN1C(=O)CC1([NH3+])CC1 ZINC000595950221 348403558 /nfs/dbraw/zinc/40/35/58/348403558.db2.gz CRIBBXMWMXYOCH-VIFPVBQESA-N 1 0 240.303 0.422 10 0 BCAERO Cc1ccnc(S(=O)(=O)N[C@H]2CC[NH2+]C2)c1 ZINC000095069183 179464938 /nfs/dbraw/zinc/46/49/38/179464938.db2.gz HFTPQTDLLMEWLZ-VIFPVBQESA-N 1 0 241.316 0.030 10 0 BCAERO Cc1ccnc([S@@](=O)CC2CC[NH2+]CC2)n1 ZINC000095069296 179469849 /nfs/dbraw/zinc/46/98/49/179469849.db2.gz NCGMXOCGVJEXLX-MRXNPFEDSA-N 1 0 239.344 0.892 10 0 BCAERO CC(C)(C)[C@H](O)C[NH2+]Cc1ccncn1 ZINC000308780611 348549886 /nfs/dbraw/zinc/54/98/86/348549886.db2.gz PINKRKWCXDRRLN-SNVBAGLBSA-N 1 0 209.293 0.973 10 0 BCAERO O=C(N[C@@H]1CC[C@@H]2C[NH2+]CC[C@@H]12)C1CC1 ZINC000669382960 538006637 /nfs/dbraw/zinc/00/66/37/538006637.db2.gz PGCVXRYJGLWSRB-GMTAPVOTSA-N 1 0 208.305 0.901 10 0 BCAERO CSC1(C[NH2+]C[C@@H]2CC(=O)N(C)C2)CC1 ZINC000597213179 348680680 /nfs/dbraw/zinc/68/06/80/348680680.db2.gz HDNCSDPHZVTMTF-VIFPVBQESA-N 1 0 228.361 0.950 10 0 BCAERO CS[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1CC(=O)N(C)C1 ZINC000597212676 348680693 /nfs/dbraw/zinc/68/06/93/348680693.db2.gz AAOWOBHYMSWALB-LPEHRKFASA-N 1 0 228.361 0.948 10 0 BCAERO COC[C@H](C[NH2+]C[C@H](O)C(C)(C)C)OC ZINC000308810982 348698512 /nfs/dbraw/zinc/69/85/12/348698512.db2.gz QHDQDDRNUQPEQK-UWVGGRQHSA-N 1 0 219.325 0.644 10 0 BCAERO COC[C@@H](C)[NH2+]C[C@@H](O)CN1CCCCC1 ZINC000151344308 192372701 /nfs/dbraw/zinc/37/27/01/192372701.db2.gz AMXHQCXTHYOGTC-VXGBXAGGSA-N 1 0 230.352 0.458 10 0 BCAERO CCN1CCO[C@@H](C[NH2+]Cc2cc[nH]c2)C1 ZINC000129982411 490194076 /nfs/dbraw/zinc/19/40/76/490194076.db2.gz XZPHPHDQNNOJLE-LBPRGKRZSA-N 1 0 223.320 0.825 10 0 BCAERO O=C(N[C@H]1CCCOCC1)[C@H]1CC[NH2+]C1 ZINC000308831387 348761030 /nfs/dbraw/zinc/76/10/30/348761030.db2.gz JOVBJNUDXXTEOT-UWVGGRQHSA-N 1 0 212.293 0.281 10 0 BCAERO CCC(C)(C)[NH2+]C[C@H](O)C(=O)N1CCCC1 ZINC000669383586 538013082 /nfs/dbraw/zinc/01/30/82/538013082.db2.gz VAISLUQXRRDJPS-JTQLQIEISA-N 1 0 228.336 0.748 10 0 BCAERO CCC(C)(C)[NH2+]C[C@@H](O)C(=O)N1CCCC1 ZINC000669383588 538012593 /nfs/dbraw/zinc/01/25/93/538012593.db2.gz VAISLUQXRRDJPS-SNVBAGLBSA-N 1 0 228.336 0.748 10 0 BCAERO CC(=O)N1CC[NH+](C[C@H]2CCC[C@@H](O)C2)CC1 ZINC000383511243 490199245 /nfs/dbraw/zinc/19/92/45/490199245.db2.gz LIPOWNOWAICOLI-QWHCGFSZSA-N 1 0 240.347 0.702 10 0 BCAERO CC[N@H+](C)C[C@@H](O)CN1CCS[C@@H](C)C1 ZINC000308861838 348909235 /nfs/dbraw/zinc/90/92/35/348909235.db2.gz PNLVVQCXAQJSTO-WDEREUQCSA-N 1 0 232.393 0.736 10 0 BCAERO CC(C)CNC(=O)C[N@@H+]1C[C@H](O)CC[C@H]1C ZINC000399254724 323202064 /nfs/dbraw/zinc/20/20/64/323202064.db2.gz QHMCULABSDWRCF-GHMZBOCLSA-N 1 0 228.336 0.604 10 0 BCAERO C[C@@H]1CC[C@H]([C@@H]2CCC[NH2+]C2)[C@H](C(=O)[O-])[NH2+]1 ZINC000669385228 538019096 /nfs/dbraw/zinc/01/90/96/538019096.db2.gz OWIVQEKZZPOTIX-GWOFURMSSA-N 1 0 226.320 0.827 10 0 BCAERO CC(C)(C)OC(=O)N(CCO)[C@H]1CC[NH2+]C1 ZINC000117673488 348985954 /nfs/dbraw/zinc/98/59/54/348985954.db2.gz ZATYBKXWOIQBML-VIFPVBQESA-N 1 0 230.308 0.578 10 0 BCAERO COC(=O)c1cnc([C@H]2CCC[NH2+]C2)o1 ZINC000107253237 538020085 /nfs/dbraw/zinc/02/00/85/538020085.db2.gz QFRAJAJKEXJWNW-ZETCQYMHSA-N 1 0 210.233 0.928 10 0 BCAERO Cc1cc([C@@H]2CC[NH2+]C[C@@H]2N)cc(N)[nH+]1 ZINC000669385067 538020192 /nfs/dbraw/zinc/02/01/92/538020192.db2.gz WHMRVVYPAUIWCY-UWVGGRQHSA-N 1 0 206.293 0.376 10 0 BCAERO O=S1(=O)CCC[C@H]([NH2+][C@@H]2CCC[C@H](O)C2)C1 ZINC000250671227 538024115 /nfs/dbraw/zinc/02/41/15/538024115.db2.gz UVSWVJMPMUPEAU-VWYCJHECSA-N 1 0 247.360 0.457 10 0 BCAERO CC(C)C[C@@H]([NH3+])c1nnc2c(=O)n(C)ccn21 ZINC000616573626 349072298 /nfs/dbraw/zinc/07/22/98/349072298.db2.gz IHCLQIUJQJATHR-MRVPVSSYSA-N 1 0 235.291 0.474 10 0 BCAERO COCCC(=O)N[C@H]1CC[C@@H]([NH3+])CC1 ZINC000616572887 349063291 /nfs/dbraw/zinc/06/32/91/349063291.db2.gz QGPKCBMTJSXFTA-DTORHVGOSA-N 1 0 200.282 0.409 10 0 BCAERO COCCC(=O)N1CC[C@@H]2[NH2+]CCC[C@@H]21 ZINC000616573067 349064584 /nfs/dbraw/zinc/06/45/84/349064584.db2.gz WISOPJMGUNJZAV-UWVGGRQHSA-N 1 0 212.293 0.376 10 0 BCAERO CC[NH2+][C@@H]1CCN(C(=O)CC(=O)OCC)C1 ZINC000616572441 349065649 /nfs/dbraw/zinc/06/56/49/349065649.db2.gz MTVJIBYBIIKIEN-SECBINFHSA-N 1 0 228.292 0.150 10 0 BCAERO C[NH2+][C@H]1CC[C@H](n2cc(S(C)(=O)=O)cn2)C1 ZINC000725252267 538033199 /nfs/dbraw/zinc/03/31/99/538033199.db2.gz LHJPKPVQGIXPLC-IUCAKERBSA-N 1 0 243.332 0.600 10 0 BCAERO C[C@@H]1C[C@@H](n2cc(S(C)(=O)=O)cn2)CC[NH2+]1 ZINC000725252196 538032319 /nfs/dbraw/zinc/03/23/19/538032319.db2.gz KKWOKDCUEIABIU-BDAKNGLRSA-N 1 0 243.332 0.600 10 0 BCAERO COC(=O)CCCC[N@@H+]1C[C@H](OC)C[C@H]1CO ZINC000599408221 349165675 /nfs/dbraw/zinc/16/56/75/349165675.db2.gz PHIRZFUMHOXNCK-WDEREUQCSA-N 1 0 245.319 0.411 10 0 BCAERO COC(=O)CCCC[N@@H+]1C[C@@H](OC)C[C@H]1CO ZINC000599412446 349166255 /nfs/dbraw/zinc/16/62/55/349166255.db2.gz PHIRZFUMHOXNCK-QWRGUYRKSA-N 1 0 245.319 0.411 10 0 BCAERO CCc1nsc(N2CCN(C)C[C@H]2C[NH3+])n1 ZINC000250275211 349168609 /nfs/dbraw/zinc/16/86/09/349168609.db2.gz XLFSXGRROKRXES-MRVPVSSYSA-N 1 0 241.364 0.180 10 0 BCAERO C[NH2+][C@H](C)CCn1cc(S(C)(=O)=O)cn1 ZINC000725251600 538030661 /nfs/dbraw/zinc/03/06/61/538030661.db2.gz CDYGIOZEYXDBCI-MRVPVSSYSA-N 1 0 231.321 0.285 10 0 BCAERO CS(=O)(=O)c1cnn([C@@H]2CCC[C@@H]2C[NH3+])c1 ZINC000725251575 538030870 /nfs/dbraw/zinc/03/08/70/538030870.db2.gz BXKHDTNQFWZHSM-PSASIEDQSA-N 1 0 243.332 0.587 10 0 BCAERO C[NH2+][C@@H]1CC[C@H](n2cc(S(C)(=O)=O)cn2)C1 ZINC000725252264 538033183 /nfs/dbraw/zinc/03/31/83/538033183.db2.gz LHJPKPVQGIXPLC-BDAKNGLRSA-N 1 0 243.332 0.600 10 0 BCAERO CS(=O)(=O)c1cnn(C[C@H]2CCC[NH2+]C2)c1 ZINC000725253229 538036007 /nfs/dbraw/zinc/03/60/07/538036007.db2.gz RRGVQNUZRMOHMA-VIFPVBQESA-N 1 0 243.332 0.286 10 0 BCAERO CS(=O)(=O)c1cnn(C[C@@H]2CC[C@H]([NH3+])C2)c1 ZINC000725252914 538034640 /nfs/dbraw/zinc/03/46/40/538034640.db2.gz PMIICZQSSNMNFB-BDAKNGLRSA-N 1 0 243.332 0.414 10 0 BCAERO CC[C@H]([NH2+]C)[C@@H](C)n1cc(S(C)(=O)=O)cn1 ZINC000725252847 538034714 /nfs/dbraw/zinc/03/47/14/538034714.db2.gz OQBKBDTYMRXHMC-SCZZXKLOSA-N 1 0 245.348 0.846 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)N(C)[C@H](C[NH3+])C2CC2)O1 ZINC000253185421 349228116 /nfs/dbraw/zinc/22/81/16/349228116.db2.gz XDYNKFLFYBNPFB-FBIMIBRVSA-N 1 0 226.320 0.750 10 0 BCAERO CC[C@H]([NH3+])Cn1cc(S(C)(=O)=O)cn1 ZINC000725252520 538033951 /nfs/dbraw/zinc/03/39/51/538033951.db2.gz MRIQDZDNFMGGPX-ZETCQYMHSA-N 1 0 217.294 0.024 10 0 BCAERO C[C@@H]1CC[NH2+]C[C@H]1n1cc(S(C)(=O)=O)cn1 ZINC000725253364 538037392 /nfs/dbraw/zinc/03/73/92/538037392.db2.gz UEPNLPHCXHUBBK-PSASIEDQSA-N 1 0 243.332 0.457 10 0 BCAERO C[NH2+][C@H]1CCC[C@@H]1n1cc(S(C)(=O)=O)cn1 ZINC000725253596 538037727 /nfs/dbraw/zinc/03/77/27/538037727.db2.gz XXBRPVYDNWGXHX-UWVGGRQHSA-N 1 0 243.332 0.600 10 0 BCAERO CS(=O)(=O)c1cnn([C@H]2CCC[C@H]2[NH3+])c1 ZINC000725253278 538036241 /nfs/dbraw/zinc/03/62/41/538036241.db2.gz SYCLNMLLYUQMKX-BDAKNGLRSA-N 1 0 229.305 0.339 10 0 BCAERO CS(=O)(=O)c1cnn(CCCCC[NH3+])c1 ZINC000725253235 538036408 /nfs/dbraw/zinc/03/64/08/538036408.db2.gz SCKICHUXRPVBBB-UHFFFAOYSA-N 1 0 231.321 0.416 10 0 BCAERO CS(=O)(=O)c1cnn([C@H]2CC[C@@H]([NH3+])C2)c1 ZINC000725253172 538036412 /nfs/dbraw/zinc/03/64/12/538036412.db2.gz RBLSBFCUXBFDMQ-SFYZADRCSA-N 1 0 229.305 0.339 10 0 BCAERO C[C@@H]1C[C@@H](NC(=O)C[C@H]2CCC[NH2+]C2)CO1 ZINC000402044986 349265903 /nfs/dbraw/zinc/26/59/03/349265903.db2.gz KLPGXDLZBVBJBE-GMTAPVOTSA-N 1 0 226.320 0.670 10 0 BCAERO COCn1ncc(C)c1[C@H](O)C[NH2+]C(C)C ZINC000725253393 538037097 /nfs/dbraw/zinc/03/70/97/538037097.db2.gz JZKAGCCLJONHLO-SNVBAGLBSA-N 1 0 227.308 0.827 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@H]1CCO[C@H](C)C1 ZINC000388647237 349302232 /nfs/dbraw/zinc/30/22/32/349302232.db2.gz DCLOGXQEZSATQL-WISYIIOYSA-N 1 0 240.347 0.773 10 0 BCAERO COc1nc(C)nc(N2CC[C@H]([NH3+])C2)c1C ZINC000212525235 349339585 /nfs/dbraw/zinc/33/95/85/349339585.db2.gz YFAWSYIJBHWDSC-VIFPVBQESA-N 1 0 222.292 0.639 10 0 BCAERO COC[C@@H](C)[NH2+]Cc1ccc(C(=O)OC)cn1 ZINC000094759239 362945316 /nfs/dbraw/zinc/94/53/16/362945316.db2.gz VIWYWGDKIRMUFY-SECBINFHSA-N 1 0 238.287 0.993 10 0 BCAERO C[C@H](C[N@@H+]1CC[C@H](C)[C@H](O)C1)C(N)=S ZINC000299901047 349314088 /nfs/dbraw/zinc/31/40/88/349314088.db2.gz ALKGIJSOCKSMLW-DJLDLDEBSA-N 1 0 216.350 0.611 10 0 BCAERO [NH3+]CCN1CCc2ccccc2[C@H]1CCO ZINC000616586557 349398334 /nfs/dbraw/zinc/39/83/34/349398334.db2.gz UBDQXQVEIPHGRS-CYBMUJFWSA-N 1 0 220.316 0.927 10 0 BCAERO Cc1nc(C)c(C(=O)N2CCC[C@H]([NH3+])C2)o1 ZINC000123062809 179899341 /nfs/dbraw/zinc/89/93/41/179899341.db2.gz CHCFGHMNQMZVMM-VIFPVBQESA-N 1 0 223.276 0.855 10 0 BCAERO CCn1ccnc(N(C)CCC[NH3+])c1=O ZINC000061757829 349403158 /nfs/dbraw/zinc/40/31/58/349403158.db2.gz PKYOSRKSIXEVHB-UHFFFAOYSA-N 1 0 210.281 0.048 10 0 BCAERO COC(=O)[C@@H](C)NC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000601970190 349407463 /nfs/dbraw/zinc/40/74/63/349407463.db2.gz MVNTWSHHOCJYEJ-PTRXPTGYSA-N 1 0 240.303 0.054 10 0 BCAERO C[C@@H]1CC[N@H+](C[C@@](C)(N)CO)C[C@@H]1C ZINC000221905592 349427740 /nfs/dbraw/zinc/42/77/40/349427740.db2.gz PBIMLCYRWDVJTK-OUAUKWLOSA-N 1 0 200.326 0.674 10 0 BCAERO C[C@]1(C(=O)N2CCOC(C)(C)C2)CCC[NH2+]1 ZINC000070618852 350026558 /nfs/dbraw/zinc/02/65/58/350026558.db2.gz BFIJXMWCSLKXPT-GFCCVEGCSA-N 1 0 226.320 0.766 10 0 BCAERO CCCN1C(=O)CC[C@H]([NH3+])[C@H]1c1cncn1C ZINC000090166878 191001318 /nfs/dbraw/zinc/00/13/18/191001318.db2.gz KYQPKRFMRALAID-CABZTGNLSA-N 1 0 236.319 0.821 10 0 BCAERO COCCCN(C)C(=O)[C@@]1(C)CCC[NH2+]1 ZINC000070619343 350029357 /nfs/dbraw/zinc/02/93/57/350029357.db2.gz YIWVHHLZGGVZCL-LLVKDONJSA-N 1 0 214.309 0.623 10 0 BCAERO Cc1cc(CO)ccc1N1CC[NH2+]CC1 ZINC000070609662 350029774 /nfs/dbraw/zinc/02/97/74/350029774.db2.gz KICMANPXBRUCFD-UHFFFAOYSA-N 1 0 206.289 0.897 10 0 BCAERO Cc1nnc2c(N[C@H]3CC[NH2+]C3)nccn12 ZINC000070616642 350030307 /nfs/dbraw/zinc/03/03/07/350030307.db2.gz DILBKIHLQDQRKW-QMMMGPOBSA-N 1 0 218.264 0.207 10 0 BCAERO Fc1ccc(OC[C@H]2C[NH2+]CCN2)cc1 ZINC000217405329 350054427 /nfs/dbraw/zinc/05/44/27/350054427.db2.gz POAUMNOKVCARFY-SNVBAGLBSA-N 1 0 210.252 0.766 10 0 BCAERO CCCNC(=O)NC[C@@H]([NH3+])C1CCOCC1 ZINC000725254837 538048722 /nfs/dbraw/zinc/04/87/22/538048722.db2.gz GFOFQEIFQFVTNZ-SNVBAGLBSA-N 1 0 229.324 0.450 10 0 BCAERO CN(c1ncnc2c1CCC2)[C@@H]1CC[NH2+]C1 ZINC000070897144 350070897 /nfs/dbraw/zinc/07/08/97/350070897.db2.gz JBLSAFIJTXUVGV-SECBINFHSA-N 1 0 218.304 0.763 10 0 BCAERO CCC(=[NH2+])N(C)[C@H]1CCS(=O)(=O)C1 ZINC000062990911 350100954 /nfs/dbraw/zinc/10/09/54/350100954.db2.gz MMZGANREETUZEA-ZETCQYMHSA-N 1 0 204.295 0.493 10 0 BCAERO CN1C(=O)CC[C@@H]([NH2+]C[C@@H](O)C(C)(C)C)C1=O ZINC000302417494 350088538 /nfs/dbraw/zinc/08/85/38/350088538.db2.gz QHRJVEGXOBVRKN-RKDXNWHRSA-N 1 0 242.319 0.130 10 0 BCAERO NC(=O)C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000051769772 350098674 /nfs/dbraw/zinc/09/86/74/350098674.db2.gz CFGGENOZVPOCQP-QWRGUYRKSA-N 1 0 226.320 0.487 10 0 BCAERO COc1cc(C[NH3+])c2c(c1)C[NH2+][C@H](C(=O)[O-])C2 ZINC000725255541 538051996 /nfs/dbraw/zinc/05/19/96/538051996.db2.gz DLJWYHBCCLFMPL-NSHDSACASA-N 1 0 236.271 0.253 10 0 BCAERO COc1cc(C[NH3+])c2c(c1)C[NH2+][C@@H](C(=O)[O-])C2 ZINC000725255540 538052090 /nfs/dbraw/zinc/05/20/90/538052090.db2.gz DLJWYHBCCLFMPL-LLVKDONJSA-N 1 0 236.271 0.253 10 0 BCAERO [NH3+]Cc1cc(F)cc2c1C[C@H](C(=O)[O-])[NH2+]C2 ZINC000725255471 538052141 /nfs/dbraw/zinc/05/21/41/538052141.db2.gz CHYJTJCGHRBOFN-SNVBAGLBSA-N 1 0 224.235 0.383 10 0 BCAERO [NH3+]C[C@@](O)(CO)CCCc1ccccc1 ZINC000725255800 538052953 /nfs/dbraw/zinc/05/29/53/538052953.db2.gz MXHPWKILRBOHPQ-GFCCVEGCSA-N 1 0 209.289 0.691 10 0 BCAERO [NH3+]Cc1c(F)ccc2c1C[NH2+][C@H](C(=O)[O-])C2 ZINC000725255570 538053826 /nfs/dbraw/zinc/05/38/26/538053826.db2.gz DXSLBGQOWAWLIN-JTQLQIEISA-N 1 0 224.235 0.383 10 0 BCAERO [NH3+]Cc1c(F)ccc2c1C[NH2+][C@@H](C(=O)[O-])C2 ZINC000725255571 538053493 /nfs/dbraw/zinc/05/34/93/538053493.db2.gz DXSLBGQOWAWLIN-SNVBAGLBSA-N 1 0 224.235 0.383 10 0 BCAERO [NH3+]Cc1cc(F)c2c(c1)C[NH2+][C@@H](C(=O)[O-])C2 ZINC000725255606 538053705 /nfs/dbraw/zinc/05/37/05/538053705.db2.gz GAAUOXCNPAZTON-SNVBAGLBSA-N 1 0 224.235 0.383 10 0 BCAERO Cc1nc2ccccc2n(C[C@H](O)C[NH3+])c1=O ZINC000052099174 180101096 /nfs/dbraw/zinc/10/10/96/180101096.db2.gz AUYNCWIXKUJDHI-SECBINFHSA-N 1 0 233.271 0.025 10 0 BCAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CCCCO ZINC000251803193 538059238 /nfs/dbraw/zinc/05/92/38/538059238.db2.gz OBDORLNQHBDROL-NEPJUHHUSA-N 1 0 240.347 0.844 10 0 BCAERO Cc1nc2sccn2c1C[NH2+]CCO ZINC000037250472 180116694 /nfs/dbraw/zinc/11/66/94/180116694.db2.gz FSEYJFIEYPAAOC-UHFFFAOYSA-N 1 0 211.290 0.786 10 0 BCAERO Cc1nc2sccn2c1C[NH2+][C@H](C)C(N)=O ZINC000037261343 180117198 /nfs/dbraw/zinc/11/71/98/180117198.db2.gz LAZPDVMYGWYWEY-SSDOTTSWSA-N 1 0 238.316 0.668 10 0 BCAERO Cn1nccc1-c1cc(=O)[nH]c(C2C[NH2+]C2)n1 ZINC000725257526 538065892 /nfs/dbraw/zinc/06/58/92/538065892.db2.gz PTQAQALRBAECBM-UHFFFAOYSA-N 1 0 231.259 0.270 10 0 BCAERO Cc1nc[nH]c1CNC(=O)[C@H]1CCC[NH2+][C@H]1C ZINC000335662347 180118819 /nfs/dbraw/zinc/11/88/19/180118819.db2.gz JUCVQYVMEVVZPT-WPRPVWTQSA-N 1 0 236.319 0.722 10 0 BCAERO Cc1nc[nH]c1C[NH2+][C@]1(C)CCS(=O)(=O)C1 ZINC000054794856 180121550 /nfs/dbraw/zinc/12/15/50/180121550.db2.gz JXPJUYXYNUBSRN-SNVBAGLBSA-N 1 0 243.332 0.385 10 0 BCAERO Cn1nccc1-c1c(C[NH2+]C2CC2)nnn1C ZINC000725257558 538066401 /nfs/dbraw/zinc/06/64/01/538066401.db2.gz QSLIVHXYLKNZCV-UHFFFAOYSA-N 1 0 232.291 0.468 10 0 BCAERO C[C@@H]1C[N@@H+](CCSC[C@H](O)CO)C[C@H](C)O1 ZINC000314213664 350169105 /nfs/dbraw/zinc/16/91/05/350169105.db2.gz QHHPMKBQQPAGRY-OUAUKWLOSA-N 1 0 249.376 0.182 10 0 BCAERO Cc1ncc(C(=O)N2CC[C@@H]([NH+](C)C)C2)c(C)n1 ZINC000180253730 180126848 /nfs/dbraw/zinc/12/68/48/180126848.db2.gz FMHSBKGMQXQWPS-LLVKDONJSA-N 1 0 248.330 0.870 10 0 BCAERO Cc1ncc(CO)c(CSC(N)=[NH2+])c1O ZINC000039110980 180159932 /nfs/dbraw/zinc/15/99/32/180159932.db2.gz JRIQFGZAEGCZCU-UHFFFAOYSA-N 1 0 227.289 0.715 10 0 BCAERO C[NH2+]CCc1nc(-c2ccnn2C)cc(=O)[nH]1 ZINC000725257825 538067865 /nfs/dbraw/zinc/06/78/65/538067865.db2.gz XZSJJBIOVSRYHM-UHFFFAOYSA-N 1 0 233.275 0.345 10 0 BCAERO Cc1ncc([C@H]2NC(=O)CC[C@@H]2[NH3+])s1 ZINC000076643521 180175643 /nfs/dbraw/zinc/17/56/43/180175643.db2.gz UJXSIGRVTBOLPY-RCOVLWMOSA-N 1 0 211.290 0.730 10 0 BCAERO Cc1ncc(CN2CC[C@H]([NH3+])C2=O)s1 ZINC000049660138 180146752 /nfs/dbraw/zinc/14/67/52/180146752.db2.gz WHCHSBWBAIFHJL-QMMMGPOBSA-N 1 0 211.290 0.511 10 0 BCAERO Cc1ncc(CNC(=O)C[C@@H](C)[NH3+])s1 ZINC000040998488 180147657 /nfs/dbraw/zinc/14/76/57/180147657.db2.gz IGFQYPHLBJCCSW-ZCFIWIBFSA-N 1 0 213.306 0.805 10 0 BCAERO Cc1nccc(C[NH2+][C@@H]2CCC[C@@H]2O)n1 ZINC000038037926 180190825 /nfs/dbraw/zinc/19/08/25/180190825.db2.gz ZBOWNILTKGCFKS-MNOVXSKESA-N 1 0 207.277 0.788 10 0 BCAERO Cc1nccc(C[NH2+][C@@H]2CN3CCC2CC3)n1 ZINC000038037567 180192100 /nfs/dbraw/zinc/19/21/00/180192100.db2.gz XMYPYUIFKYCNPI-CYBMUJFWSA-N 1 0 232.331 0.969 10 0 BCAERO Cc1nccc(-n2ccnc2CC[NH3+])n1 ZINC000054937502 180179217 /nfs/dbraw/zinc/17/92/17/180179217.db2.gz WTBBJMAVSXPTTR-UHFFFAOYSA-N 1 0 203.249 0.472 10 0 BCAERO Cc1nccc(CN2CC[NH2+]C[C@H](C)C2)n1 ZINC000045007768 180184018 /nfs/dbraw/zinc/18/40/18/180184018.db2.gz LEFKEBISIKZPIU-JTQLQIEISA-N 1 0 220.320 0.826 10 0 BCAERO Cc1nccc(CN2CC[C@@H](C[NH3+])C2)n1 ZINC000044995080 180186062 /nfs/dbraw/zinc/18/60/62/180186062.db2.gz CGOPTFHIPPGTKL-JTQLQIEISA-N 1 0 206.293 0.566 10 0 BCAERO Cc1nccc(CNC2=[NH+]CCS2)n1 ZINC000045005712 180187301 /nfs/dbraw/zinc/18/73/01/180187301.db2.gz DTFFUWFXXCRBQZ-UHFFFAOYSA-N 1 0 208.290 0.977 10 0 BCAERO Cc1nccc(CNC(=O)[C@@H]2C[NH2+]C[C@@H]2C)n1 ZINC000104213200 180188193 /nfs/dbraw/zinc/18/81/93/180188193.db2.gz KLIUCRZCHJNZQA-GZMMTYOYSA-N 1 0 234.303 0.257 10 0 BCAERO CC(C)[S@](N)(=O)=Nc1ccnn1C1C[NH2+]C1 ZINC000725258318 538072749 /nfs/dbraw/zinc/07/27/49/538072749.db2.gz OFSAILITACJFQC-MRXNPFEDSA-N 1 0 243.336 0.409 10 0 BCAERO Cc1n[nH]cc1C(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725258216 538072883 /nfs/dbraw/zinc/07/28/83/538072883.db2.gz LDAWBZDIJLQFHD-UHFFFAOYSA-N 1 0 246.274 0.311 10 0 BCAERO Cc1nccn1-c1ncccc1C(N)=[NH2+] ZINC000019484453 180230352 /nfs/dbraw/zinc/23/03/52/180230352.db2.gz XYFDFRBFHBKJFK-UHFFFAOYSA-N 1 0 201.233 0.860 10 0 BCAERO [NH3+]C[C@H]1CCCN1C(=O)C[C@H]1CCCO1 ZINC000083525658 350235651 /nfs/dbraw/zinc/23/56/51/350235651.db2.gz FTJMOLZHCPMTLR-NXEZZACHSA-N 1 0 212.293 0.505 10 0 BCAERO Cc1nccc([C@H]2[C@@H](C[NH3+])CCN2C)n1 ZINC000082933172 180209228 /nfs/dbraw/zinc/20/92/28/180209228.db2.gz UYFRNYQCSGTKKZ-MWLCHTKSSA-N 1 0 206.293 0.737 10 0 BCAERO Cc1nccc([C@@H]2[C@@H](C[NH3+])CCN2C)n1 ZINC000082933171 180209247 /nfs/dbraw/zinc/20/92/47/180209247.db2.gz UYFRNYQCSGTKKZ-KOLCDFICSA-N 1 0 206.293 0.737 10 0 BCAERO CCOC(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725259250 538079523 /nfs/dbraw/zinc/07/95/23/538079523.db2.gz SHTFXRXBIPUNGF-UHFFFAOYSA-N 1 0 210.237 0.596 10 0 BCAERO N[C@H](CNc1ccnn1C1C[NH2+]C1)C(F)(F)F ZINC000725259753 538080799 /nfs/dbraw/zinc/08/07/99/538080799.db2.gz IDAPQSZMEUANRF-SSDOTTSWSA-N 1 0 249.240 0.329 10 0 BCAERO Cc1nccnc1N(C)[C@@H]1CCC[NH2+]C1 ZINC000095070521 180274719 /nfs/dbraw/zinc/27/47/19/180274719.db2.gz FPQJLFZQORLLHX-SNVBAGLBSA-N 1 0 206.293 0.973 10 0 BCAERO CS(=O)(=O)C[C@@H]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000725261701 538086949 /nfs/dbraw/zinc/08/69/49/538086949.db2.gz DADDTTHNDVLWOC-KXUCPTDWSA-N 1 0 217.334 0.809 10 0 BCAERO Cc1nccn1C[C@@H]1CCC[N@@H+]1[C@H]1CCNC1=O ZINC000245703929 180265899 /nfs/dbraw/zinc/26/58/99/180265899.db2.gz WLEGFJWKVGQNLC-RYUDHWBXSA-N 1 0 248.330 0.544 10 0 BCAERO CN(CC(F)(F)F)[C@@H]1COCC[C@@H]1[NH3+] ZINC000037664550 350286190 /nfs/dbraw/zinc/28/61/90/350286190.db2.gz BHBWSRSVMMERAR-NKWVEPMBSA-N 1 0 212.215 0.597 10 0 BCAERO Cc1nccn2c1cnc2N1CC[NH+](C)CC1 ZINC000089195468 180271072 /nfs/dbraw/zinc/27/10/72/180271072.db2.gz CUFJNRKWGLYUIS-UHFFFAOYSA-N 1 0 231.303 0.790 10 0 BCAERO Cc1ncn(CCn2cc(C[NH3+])nn2)c1C ZINC000052593593 180287547 /nfs/dbraw/zinc/28/75/47/180287547.db2.gz OEMZAIXLBNUTCL-UHFFFAOYSA-N 1 0 220.280 0.250 10 0 BCAERO Cn1ccc(CN2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)n1 ZINC000309347452 350326936 /nfs/dbraw/zinc/32/69/36/350326936.db2.gz MLPDPXHITFJLIP-DLOVCJGASA-N 1 0 220.320 0.589 10 0 BCAERO [NH3+]CCC(=O)[C@@H]1CCO[C@@]2(CCOC2)C1 ZINC000167898361 350311264 /nfs/dbraw/zinc/31/12/64/350311264.db2.gz HAWDMJWGWDKQRW-KOLCDFICSA-N 1 0 213.277 0.490 10 0 BCAERO Cc1nccnc1S(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000095068742 180280377 /nfs/dbraw/zinc/28/03/77/180280377.db2.gz KGTCSHLMPPVHBX-SECBINFHSA-N 1 0 241.316 0.311 10 0 BCAERO Cc1nccnc1[S@](=O)[C@@H]1CC[NH2+]C1 ZINC000095068778 180284235 /nfs/dbraw/zinc/28/42/35/180284235.db2.gz IHDXXSHVTNBVTC-CLAHSXSESA-N 1 0 211.290 0.255 10 0 BCAERO C[C@H](CC(N)=S)[N@@H+]1CCOC[C@@H]1C ZINC000225159790 350352930 /nfs/dbraw/zinc/35/29/30/350352930.db2.gz NSNZJXQBBUYCHX-SFYZADRCSA-N 1 0 202.323 0.772 10 0 BCAERO C[N@H+](C1CC1)[C@@H]1CCC[C@@]([NH3+])(C(=O)[O-])C1 ZINC000225516355 350364986 /nfs/dbraw/zinc/36/49/86/350364986.db2.gz HESJZNYMNPJORE-KOLCDFICSA-N 1 0 212.293 0.805 10 0 BCAERO C[C@H](O)CN(C)c1cc2c(nn1)CC[N@H+](C)C2 ZINC000725264806 538091362 /nfs/dbraw/zinc/09/13/62/538091362.db2.gz DGNSHGPVERSQLC-VIFPVBQESA-N 1 0 236.319 0.282 10 0 BCAERO Cc1nn(C)c(C)c1NC(=O)[C@H](C)C[NH3+] ZINC000054344903 180343627 /nfs/dbraw/zinc/34/36/27/180343627.db2.gz JDASPWNZROGKIH-ZCFIWIBFSA-N 1 0 210.281 0.570 10 0 BCAERO Cc1nn(C)c(C)c1[C@H](C[NH3+])N1CCOCC1 ZINC000053994318 180349849 /nfs/dbraw/zinc/34/98/49/180349849.db2.gz DGAMHAVHAZPNAW-NSHDSACASA-N 1 0 238.335 0.369 10 0 BCAERO CO[C@H]1C[NH2+]C[C@@H]1CC(=O)N1CCCC1 ZINC000616591780 350414141 /nfs/dbraw/zinc/41/41/41/350414141.db2.gz RTTKOLPTSTXPAV-UWVGGRQHSA-N 1 0 212.293 0.233 10 0 BCAERO [NH3+]CCN1CCO[C@H](c2cncnc2)CC1 ZINC000616591958 350431525 /nfs/dbraw/zinc/43/15/25/350431525.db2.gz AWZUACLOFIYZRJ-NSHDSACASA-N 1 0 222.292 0.199 10 0 BCAERO c1nnn([C@H]2CCC[NH2+]C2)c1-c1cccnn1 ZINC000725266035 538093824 /nfs/dbraw/zinc/09/38/24/538093824.db2.gz HBTCEZGCPKAUGF-VIFPVBQESA-N 1 0 230.275 0.660 10 0 BCAERO Cc1nn(Cc2ncon2)c(C)c1C[NH3+] ZINC000036868371 180392112 /nfs/dbraw/zinc/39/21/12/180392112.db2.gz CAKPRXXYFLHEDX-UHFFFAOYSA-N 1 0 207.237 0.390 10 0 BCAERO Cc1nn(CCS(C)(=O)=O)c(C)c1C[NH3+] ZINC000037744188 180389218 /nfs/dbraw/zinc/38/92/18/180389218.db2.gz JFPCZCNLPMTAQL-UHFFFAOYSA-N 1 0 231.321 0.003 10 0 BCAERO CCOC(=O)c1n[nH]nc1[C@H]1CC[NH2+][C@H]1CC ZINC000725266488 538095435 /nfs/dbraw/zinc/09/54/35/538095435.db2.gz COCWPHKHOZGLAC-YUMQZZPRSA-N 1 0 238.291 0.837 10 0 BCAERO CC[C@@H](COC)[NH2+][C@H]1CCCNC1=O ZINC000070624367 350554505 /nfs/dbraw/zinc/55/45/05/350554505.db2.gz WXNQPJCWDFXGDQ-IUCAKERBSA-N 1 0 200.282 0.280 10 0 BCAERO CC[C@H](COC)NC(=O)[C@@H]1C[NH2+]C[C@@H]1C ZINC000070626307 350556675 /nfs/dbraw/zinc/55/66/75/350556675.db2.gz FZQTZYTWYHUUCO-IVZWLZJFSA-N 1 0 214.309 0.383 10 0 BCAERO O=C1c2ccccc2C(=O)N1C[C@H]1CC[NH2+]C1 ZINC000051890328 350558799 /nfs/dbraw/zinc/55/87/99/350558799.db2.gz CBDPRTCQNVLONW-VIFPVBQESA-N 1 0 230.267 0.892 10 0 BCAERO CC(C)[N@@H+]1CCO[C@@H](c2cn[nH]n2)CC1 ZINC000616594770 350597149 /nfs/dbraw/zinc/59/71/49/350597149.db2.gz RFVCWWPULLLGGP-SNVBAGLBSA-N 1 0 210.281 0.977 10 0 BCAERO [NH3+]CCN1CCO[C@@H](c2cnco2)CC1 ZINC000616595066 350599547 /nfs/dbraw/zinc/59/95/47/350599547.db2.gz JLJZWIOAOLGCHU-SECBINFHSA-N 1 0 211.265 0.397 10 0 BCAERO [NH3+]CCN1CCO[C@@H](c2ccncc2)CC1 ZINC000616595423 350607648 /nfs/dbraw/zinc/60/76/48/350607648.db2.gz LLJCBLXNAFGKRU-GFCCVEGCSA-N 1 0 221.304 0.804 10 0 BCAERO CC(=O)N[C@H]1CC[N@H+](C(C)C)CCO1 ZINC000616595888 350612363 /nfs/dbraw/zinc/61/23/63/350612363.db2.gz ZNXJGPBWLPUWSC-SNVBAGLBSA-N 1 0 200.282 0.579 10 0 BCAERO Cc1noc(C)c1CC(=O)N1CC[C@@H]([NH3+])[C@H]1C ZINC000336322422 180465724 /nfs/dbraw/zinc/46/57/24/180465724.db2.gz WLGQZPZIDWEPAW-LDYMZIIASA-N 1 0 237.303 0.782 10 0 BCAERO [NH3+]CCN1CCCOC[C@@H]1c1cccnn1 ZINC000616597883 350653453 /nfs/dbraw/zinc/65/34/53/350653453.db2.gz UORVJRVYLBTFBB-LLVKDONJSA-N 1 0 222.292 0.199 10 0 BCAERO [NH3+]CCN1CCCO[C@@H](c2cccnn2)C1 ZINC000616597919 350653990 /nfs/dbraw/zinc/65/39/90/350653990.db2.gz IANHLCVNKRXORO-LLVKDONJSA-N 1 0 222.292 0.199 10 0 BCAERO [NH3+]CCN1CCCO[C@@H](c2cocn2)C1 ZINC000616599118 350718599 /nfs/dbraw/zinc/71/85/99/350718599.db2.gz QTQZUBFPCLPLPV-SNVBAGLBSA-N 1 0 211.265 0.397 10 0 BCAERO C[C@H]1C[S@](=O)CCN1CC[NH+](C)C ZINC000306673344 350818686 /nfs/dbraw/zinc/81/86/86/350818686.db2.gz NHHDSFMMPGJAMR-TVQRCGJNSA-N 1 0 204.339 0.001 10 0 BCAERO C[C@@H]1C[S@@](=O)CCN1CC[NH+](C)C ZINC000306673343 350818744 /nfs/dbraw/zinc/81/87/44/350818744.db2.gz NHHDSFMMPGJAMR-RNCFNFMXSA-N 1 0 204.339 0.001 10 0 BCAERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)NCc1cocn1 ZINC000397990812 362982429 /nfs/dbraw/zinc/98/24/29/362982429.db2.gz WXDMBLYDBLNJMA-WCBMZHEXSA-N 1 0 223.276 0.679 10 0 BCAERO OCC[N@@H+]1CCOCC[C@@H]1c1cccnc1 ZINC000616599928 350776099 /nfs/dbraw/zinc/77/60/99/350776099.db2.gz ZCUDGOVVMCTDMP-GFCCVEGCSA-N 1 0 222.288 0.837 10 0 BCAERO [NH3+]CCN1CCC[C@@H](c2nnc[nH]2)CC1 ZINC000616600246 350779106 /nfs/dbraw/zinc/77/91/06/350779106.db2.gz AXTAOBGBATTZMY-SECBINFHSA-N 1 0 209.297 0.333 10 0 BCAERO [NH3+]CCN1CCC[C@@H](n2ccnc2)CC1 ZINC000616601191 350781314 /nfs/dbraw/zinc/78/13/14/350781314.db2.gz LDRJZCKSXHAIOU-LLVKDONJSA-N 1 0 208.309 0.869 10 0 BCAERO CN1CC[NH2+]C[C@@H]1c1ccccc1CO ZINC000616603985 350795526 /nfs/dbraw/zinc/79/55/26/350795526.db2.gz SLWQXUWGUAZZPK-GFCCVEGCSA-N 1 0 206.289 0.755 10 0 BCAERO NC(=O)c1ccccc1[C@H]1CCC[N@@H+]1CCO ZINC000616606890 350799516 /nfs/dbraw/zinc/79/95/16/350799516.db2.gz HEKUSCSOVNZEKQ-GFCCVEGCSA-N 1 0 234.299 0.915 10 0 BCAERO NC(=O)c1ccc([C@H]2CCC[N@@H+]2CCO)cc1 ZINC000616607755 350802176 /nfs/dbraw/zinc/80/21/76/350802176.db2.gz MCSCRTFUDUMIOD-GFCCVEGCSA-N 1 0 234.299 0.915 10 0 BCAERO Nc1cccc([C@H]2CCCN2CC[NH3+])n1 ZINC000616607809 350802353 /nfs/dbraw/zinc/80/23/53/350802353.db2.gz MVGKLANDOHKFJI-SNVBAGLBSA-N 1 0 206.293 0.759 10 0 BCAERO [NH3+]CCN1CC[C@@H](c2ccc(CCO)cc2)C1 ZINC000616614588 350835511 /nfs/dbraw/zinc/83/55/11/350835511.db2.gz QKEBGTQUJROFNO-CQSZACIVSA-N 1 0 234.343 0.969 10 0 BCAERO [NH3+]CCN1CCCC[C@@H]1c1ncccn1 ZINC000616614636 350836433 /nfs/dbraw/zinc/83/64/33/350836433.db2.gz GNHJNAMBQJVCEB-SNVBAGLBSA-N 1 0 206.293 0.962 10 0 BCAERO CC[C@@H](C)[N@@H+]1CCSC[C@@H]1C(N)=O ZINC000306704335 350851906 /nfs/dbraw/zinc/85/19/06/350851906.db2.gz HCCZQOXHAJCOQY-HTQZYQBOSA-N 1 0 202.323 0.688 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)O1 ZINC000382509518 350852565 /nfs/dbraw/zinc/85/25/65/350852565.db2.gz OBMODAMNFRQIDB-LMLFDSFASA-N 1 0 226.320 0.798 10 0 BCAERO CO[C@@H]1CCC[C@H]([N@H+](C)CCN(C)CCO)C1 ZINC000623090196 350858507 /nfs/dbraw/zinc/85/85/07/350858507.db2.gz CHHLQSHENWJQNK-QWHCGFSZSA-N 1 0 244.379 0.800 10 0 BCAERO C[C@H](C(=O)[O-])[N@H+](C)[C@H]1CCC[NH+](C)CC1 ZINC000251557156 350898499 /nfs/dbraw/zinc/89/84/99/350898499.db2.gz PNOZGIUCSJTDIE-ZJUUUORDSA-N 1 0 214.309 0.876 10 0 BCAERO CC(C)(CO)C[N@@H+]1CC[C@H](O)C1(C)C ZINC000306731261 350899520 /nfs/dbraw/zinc/89/95/20/350899520.db2.gz QOUFRLMKEBVRHB-VIFPVBQESA-N 1 0 201.310 0.850 10 0 BCAERO CC(C)[C@H](O)C[N@@H+]1CCN(C)[C@H](C)C1 ZINC000251774776 350902364 /nfs/dbraw/zinc/90/23/64/350902364.db2.gz MPNGBKRGSKNGRQ-GHMZBOCLSA-N 1 0 200.326 0.639 10 0 BCAERO C[C@H](C(N)=S)[N@@H+]1CC[C@H](O)C1(C)C ZINC000306733640 350903026 /nfs/dbraw/zinc/90/30/26/350903026.db2.gz TWSSBJWNUYEULL-RQJHMYQMSA-N 1 0 202.323 0.506 10 0 BCAERO CC[C@H](C(N)=S)[N@@H+]1CCOC[C@H]1C ZINC000252449216 350911213 /nfs/dbraw/zinc/91/12/13/350911213.db2.gz VVCLJJYYGCTZFX-HTQZYQBOSA-N 1 0 202.323 0.772 10 0 BCAERO [NH3+]CCN1CCC(c2cccnn2)CC1 ZINC000616619515 350927506 /nfs/dbraw/zinc/92/75/06/350927506.db2.gz KSUKVGJXWMIBBJ-UHFFFAOYSA-N 1 0 206.293 0.615 10 0 BCAERO [NH3+]CCN1CCC[C@@H](OC(F)(F)F)C1 ZINC000616619848 350928440 /nfs/dbraw/zinc/92/84/40/350928440.db2.gz BFAXCRWTIPYLPU-SSDOTTSWSA-N 1 0 212.215 0.946 10 0 BCAERO [NH3+][C@@H]1CCC[C@@H]1[C@H]1CCS(=O)(=O)C1 ZINC000250643880 350884160 /nfs/dbraw/zinc/88/41/60/350884160.db2.gz IQWHGPCSLAVTCG-DJLDLDEBSA-N 1 0 203.307 0.549 10 0 BCAERO C[C@@H]1CN(C[C@H]2CCOCO2)CC[NH2+]1 ZINC000159543527 350887912 /nfs/dbraw/zinc/88/79/12/350887912.db2.gz NBRMGCGFWDPUDT-NXEZZACHSA-N 1 0 200.282 0.043 10 0 BCAERO C[C@@H]1CSCCN1C(=O)[C@@H]1CC[NH2+]1 ZINC000306726221 350895680 /nfs/dbraw/zinc/89/56/80/350895680.db2.gz YVGHZFIKKTZJFG-SFYZADRCSA-N 1 0 200.307 0.312 10 0 BCAERO C[C@@H]1C[NH2+]CCN1C[C@H](O)C(C)(C)C ZINC000306729521 350897947 /nfs/dbraw/zinc/89/79/47/350897947.db2.gz DAKOQVDAAGEXTE-ZJUUUORDSA-N 1 0 200.326 0.687 10 0 BCAERO C[S@](=O)N1C[C@@H]2C[C@H]([NH3+])CC[C@@H]2C1 ZINC000306751301 350961324 /nfs/dbraw/zinc/96/13/24/350961324.db2.gz LFHGDMYJVANDCT-VXFNFUGZSA-N 1 0 202.323 0.339 10 0 BCAERO [NH3+][C@@H]1C[C@@H]1NC(=O)[C@H]1CC1(Cl)Cl ZINC000306757931 350971936 /nfs/dbraw/zinc/97/19/36/350971936.db2.gz NWQUVDIGWADHOX-WDCZJNDASA-N 1 0 209.076 0.396 10 0 BCAERO CSCCNC(=O)C[C@@H]([NH3+])C(C)C ZINC000129071650 350978130 /nfs/dbraw/zinc/97/81/30/350978130.db2.gz UXUVBCFWWQAOAS-MRVPVSSYSA-N 1 0 204.339 0.839 10 0 BCAERO O=C1OCC[C@H]1SC1=[NH+]CCCN1 ZINC000306763353 350993869 /nfs/dbraw/zinc/99/38/69/350993869.db2.gz FZRLFQHVGMNNPN-ZCFIWIBFSA-N 1 0 200.263 0.384 10 0 BCAERO CCC[S@@](=O)N1[C@H](C)C[NH2+]C[C@@H]1C ZINC000306769176 351001920 /nfs/dbraw/zinc/00/19/20/351001920.db2.gz BANZUBXSPBTARR-VYUIOLGVSA-N 1 0 204.339 0.742 10 0 BCAERO CO[C@H]1C[NH2+][C@@H](C(=O)N[C@@H]2CCC[C@@H]2C)C1 ZINC000216238298 351040290 /nfs/dbraw/zinc/04/02/90/351040290.db2.gz BLOJVFPZWVDMBY-LNFKQOIKSA-N 1 0 226.320 0.668 10 0 BCAERO CCCCOC[C@H](O)C[N@@H+]1CC[C@H](O)[C@H](C)C1 ZINC000336700959 351044361 /nfs/dbraw/zinc/04/43/61/351044361.db2.gz IOARKNXTFDHEPF-UPJWGTAASA-N 1 0 245.363 0.867 10 0 BCAERO [NH3+]C[C@@H](CO)c1ncnc2sccc21 ZINC000063065301 351045450 /nfs/dbraw/zinc/04/54/50/351045450.db2.gz XJUOVFIMXDGARF-LURJTMIESA-N 1 0 209.274 0.726 10 0 BCAERO CC(C)[S@](=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000306807512 351060935 /nfs/dbraw/zinc/06/09/35/351060935.db2.gz MNVBGKBRKMZMNO-BFVZDQMLSA-N 1 0 218.366 0.975 10 0 BCAERO CC(C)[N@@H+]1CCCC[C@H](S(N)(=O)=O)C1 ZINC000616630281 351102402 /nfs/dbraw/zinc/10/24/02/351102402.db2.gz URHVIQKRPHJALW-VIFPVBQESA-N 1 0 220.338 0.538 10 0 BCAERO CC[N@@H+]1CCCC[C@H](S(N)(=O)=O)C1 ZINC000616630355 351102477 /nfs/dbraw/zinc/10/24/77/351102477.db2.gz VWMJFRNNLWDUTA-QMMMGPOBSA-N 1 0 206.311 0.149 10 0 BCAERO CC(C)(C)[N@@H+]1CCN[C@@H](c2cnno2)C1 ZINC000616631638 351106315 /nfs/dbraw/zinc/10/63/15/351106315.db2.gz AQBAACIZOXABQQ-MRVPVSSYSA-N 1 0 210.281 0.814 10 0 BCAERO [NH3+]CCN1CCC[C@H](c2ncc[nH]2)CC1 ZINC000616626995 351107008 /nfs/dbraw/zinc/10/70/08/351107008.db2.gz AQTJVEHCQGKGCD-JTQLQIEISA-N 1 0 208.309 0.938 10 0 BCAERO OCCN1CC[NH2+][C@@H](c2ccc(F)cc2)C1 ZINC000616631745 351108586 /nfs/dbraw/zinc/10/85/86/351108586.db2.gz BNJRORDLZACHPB-GFCCVEGCSA-N 1 0 224.279 0.764 10 0 BCAERO CNc1ccc([C@H]2CN(CCO)CC[NH2+]2)cc1 ZINC000616631831 351108881 /nfs/dbraw/zinc/10/88/81/351108881.db2.gz GFZHAOXPMZTNCQ-CYBMUJFWSA-N 1 0 235.331 0.667 10 0 BCAERO c1cc2ccnnc2c([C@@H]2C[NH2+]CCN2)c1 ZINC000616632439 351111274 /nfs/dbraw/zinc/11/12/74/351111274.db2.gz OQGYVUALZBKVAI-NSHDSACASA-N 1 0 214.272 0.864 10 0 BCAERO CN1CC[NH2+][C@@H](c2ccccc2CO)C1 ZINC000616632644 351112134 /nfs/dbraw/zinc/11/21/34/351112134.db2.gz UWTRJNQCGYRBSK-GFCCVEGCSA-N 1 0 206.289 0.755 10 0 BCAERO CC(C)[N@@H+]1CCN[C@@H](c2ccncn2)C1 ZINC000616632474 351112183 /nfs/dbraw/zinc/11/21/83/351112183.db2.gz ROGMDTVAZBSPKL-LLVKDONJSA-N 1 0 206.293 0.831 10 0 BCAERO CC(C)[N@@H+]1CCN[C@@H](c2cncnc2)C1 ZINC000616632642 351112839 /nfs/dbraw/zinc/11/28/39/351112839.db2.gz UURUOVGWZSDIIJ-LLVKDONJSA-N 1 0 206.293 0.831 10 0 BCAERO OCCN1CC[NH2+][C@H](c2ccccc2F)C1 ZINC000616634369 351117218 /nfs/dbraw/zinc/11/72/18/351117218.db2.gz QPBUHDZYEUKPOI-LBPRGKRZSA-N 1 0 224.279 0.764 10 0 BCAERO [NH3+]CCN1CC[NH2+]C[C@@H]1c1ccccc1CCO ZINC000616635968 351120192 /nfs/dbraw/zinc/12/01/92/351120192.db2.gz HHWBZJZXMUKKPX-CQSZACIVSA-N 1 0 249.358 0.126 10 0 BCAERO CO[C@H]1CNCCN1C(=O)OC(C)(C)C ZINC000616635962 351120602 /nfs/dbraw/zinc/12/06/02/351120602.db2.gz ZGMLCNPHQHGMRE-QMMMGPOBSA-N 1 0 216.281 0.799 10 0 BCAERO OCCN1CC[NH2+]C[C@@H]1c1ccc(CO)cc1 ZINC000616636237 351123967 /nfs/dbraw/zinc/12/39/67/351123967.db2.gz MIBJSIGQUJSNHD-CYBMUJFWSA-N 1 0 236.315 0.118 10 0 BCAERO Nc1cccc([C@@H]2CCCN(CC[NH3+])C2)n1 ZINC000616621694 351083903 /nfs/dbraw/zinc/08/39/03/351083903.db2.gz VXHPUQDERQHUAS-SNVBAGLBSA-N 1 0 220.320 0.802 10 0 BCAERO OCCN1CC[NH2+]C[C@H]1c1ccccn1 ZINC000616636444 351125236 /nfs/dbraw/zinc/12/52/36/351125236.db2.gz SUOAZGXKTWZZSW-NSHDSACASA-N 1 0 207.277 0.020 10 0 BCAERO CC(C)(C)[S@@](=O)[C@@H]1C[NH2+]CC[C@]1(C)O ZINC000306820358 351094589 /nfs/dbraw/zinc/09/45/89/351094589.db2.gz IXQUYSIUSRNQSI-YACGNSKGSA-N 1 0 219.350 0.647 10 0 BCAERO [NH3+]CCN1CCOC[C@H]1c1ccccn1 ZINC000616640817 351146883 /nfs/dbraw/zinc/14/68/83/351146883.db2.gz OVPCNMSAFYYCDA-NSHDSACASA-N 1 0 207.277 0.414 10 0 BCAERO Nc1ccc([C@@H]2COCCN2CC[NH3+])cc1 ZINC000616641088 351147007 /nfs/dbraw/zinc/14/70/07/351147007.db2.gz VJHSGZFARROXDB-LBPRGKRZSA-N 1 0 221.304 0.601 10 0 BCAERO [NH3+][C@]1(CC2CCC2)CCS(=O)(=O)C1 ZINC000306836862 351147733 /nfs/dbraw/zinc/14/77/33/351147733.db2.gz UOVSQHJKICICNG-VIFPVBQESA-N 1 0 203.307 0.693 10 0 BCAERO Cn1ncc(CC(=O)[C@@H]2CCCC[NH2+]2)n1 ZINC000306839243 351149670 /nfs/dbraw/zinc/14/96/70/351149670.db2.gz YOLCPVXMBFQGOD-VIFPVBQESA-N 1 0 208.265 0.069 10 0 BCAERO Nc1cccc([C@H]2CN(CC[NH3+])CCCO2)n1 ZINC000616655221 351192716 /nfs/dbraw/zinc/19/27/16/351192716.db2.gz WQJXUTKDKWFVAJ-LLVKDONJSA-N 1 0 236.319 0.386 10 0 BCAERO [NH3+]CCN1CCCOC[C@H]1c1ncco1 ZINC000616646474 351171455 /nfs/dbraw/zinc/17/14/55/351171455.db2.gz XEBWJSGWOSEZHO-VIFPVBQESA-N 1 0 211.265 0.397 10 0 BCAERO NC(=O)c1cccc([C@H]2CN(CC[NH3+])CCO2)c1 ZINC000616646855 351172074 /nfs/dbraw/zinc/17/20/74/351172074.db2.gz NLHIJPGZCYAWJC-GFCCVEGCSA-N 1 0 249.314 0.118 10 0 BCAERO OCC[N@@H+]1CCCO[C@H](c2cc[nH]n2)C1 ZINC000616650197 351172983 /nfs/dbraw/zinc/17/29/83/351172983.db2.gz WJGFBSWTZDNZJK-JTQLQIEISA-N 1 0 211.265 0.165 10 0 BCAERO [NH3+]CCN1CCO[C@H](OC(F)(F)F)C1 ZINC000616647700 351174966 /nfs/dbraw/zinc/17/49/66/351174966.db2.gz HOHZVZTUYVKHMV-ZCFIWIBFSA-N 1 0 214.187 0.140 10 0 BCAERO NC(=O)c1cccc([C@@H]2CN(CC[NH3+])CCO2)c1 ZINC000616648532 351176579 /nfs/dbraw/zinc/17/65/79/351176579.db2.gz NLHIJPGZCYAWJC-LBPRGKRZSA-N 1 0 249.314 0.118 10 0 BCAERO CN1CC[NH2+]C[C@@H]1c1cccc(CCO)c1 ZINC000616636952 351130580 /nfs/dbraw/zinc/13/05/80/351130580.db2.gz GYNITLUZGHYZTI-CYBMUJFWSA-N 1 0 220.316 0.798 10 0 BCAERO Nc1ccc([C@H]2C[NH2+]CCN2CCO)cc1 ZINC000616637248 351131557 /nfs/dbraw/zinc/13/15/57/351131557.db2.gz UFPSYZIIJUUYSM-GFCCVEGCSA-N 1 0 221.304 0.207 10 0 BCAERO COC(=O)[C@H]1C[NH2+]CCN1C(C)(C)C ZINC000616637419 351133119 /nfs/dbraw/zinc/13/31/19/351133119.db2.gz MMDCXPZCZMNSAF-MRVPVSSYSA-N 1 0 200.282 0.232 10 0 BCAERO COC(=O)N1CC[NH2+]C[C@@H]1c1ccc(N)cc1 ZINC000616637441 351133227 /nfs/dbraw/zinc/13/32/27/351133227.db2.gz WLCBFEVAGUUHPO-LLVKDONJSA-N 1 0 235.287 0.982 10 0 BCAERO OCCN1CC[NH2+]C[C@@H]1c1ccccn1 ZINC000616637210 351133633 /nfs/dbraw/zinc/13/36/33/351133633.db2.gz SUOAZGXKTWZZSW-LLVKDONJSA-N 1 0 207.277 0.020 10 0 BCAERO CNc1ccccc1[C@H]1C[NH2+]CCN1CCO ZINC000616637180 351133640 /nfs/dbraw/zinc/13/36/40/351133640.db2.gz RUGVEBKAIWXXLK-CYBMUJFWSA-N 1 0 235.331 0.667 10 0 BCAERO CC(=O)N1CC[NH2+]C[C@H]1c1ccc(C(N)=O)cc1 ZINC000616637940 351136950 /nfs/dbraw/zinc/13/69/50/351136950.db2.gz ANROKBCBBMWNMX-LBPRGKRZSA-N 1 0 247.298 0.278 10 0 BCAERO C[C@@H]1OCC[C@H]1[S@](=O)C[C@@H]1CCC[NH2+]1 ZINC000306826185 351137754 /nfs/dbraw/zinc/13/77/54/351137754.db2.gz ZBASWFBPKYOZJD-LFNDISMMSA-N 1 0 217.334 0.665 10 0 BCAERO [NH3+]CCN1CCCO[C@@H](c2ccncc2)C1 ZINC000616654980 351191666 /nfs/dbraw/zinc/19/16/66/351191666.db2.gz PFEYVLJFVWSCKU-GFCCVEGCSA-N 1 0 221.304 0.804 10 0 BCAERO CC(=O)N1CC[NH2+]C[C@@H]1c1ccc(CCO)cc1 ZINC000616638805 351142233 /nfs/dbraw/zinc/14/22/33/351142233.db2.gz IDQLTQZSPURKPN-CQSZACIVSA-N 1 0 248.326 0.714 10 0 BCAERO NC(=O)N1CC[NH2+]C[C@@H]1c1ccccc1N ZINC000616639447 351144067 /nfs/dbraw/zinc/14/40/67/351144067.db2.gz NORWWPAAVYDTCP-SNVBAGLBSA-N 1 0 220.276 0.294 10 0 BCAERO NC(=O)N1CC[NH2+]C[C@@H]1c1ccc(CCO)cc1 ZINC000616640140 351144751 /nfs/dbraw/zinc/14/47/51/351144751.db2.gz WPRJRKNOJGWZOG-GFCCVEGCSA-N 1 0 249.314 0.246 10 0 BCAERO COC[C@H](NC(=O)[C@@]1(C)CCC[NH2+]1)C(C)C ZINC000083399633 351232918 /nfs/dbraw/zinc/23/29/18/351232918.db2.gz ZYLQEGXZEVDJFY-CMPLNLGQSA-N 1 0 228.336 0.916 10 0 BCAERO [NH3+]CCN1C[C@@H](c2nnc[nH]2)Cc2ccccc21 ZINC000616672496 351236801 /nfs/dbraw/zinc/23/68/01/351236801.db2.gz PNXWHZFOKRVLHK-NSHDSACASA-N 1 0 243.314 0.910 10 0 BCAERO C[NH2+][C@@H]1Cc2ccccc2N(S(C)(=O)=O)C1 ZINC000616673383 351237458 /nfs/dbraw/zinc/23/74/58/351237458.db2.gz MUUHZECDAIGBGV-SNVBAGLBSA-N 1 0 240.328 0.597 10 0 BCAERO [NH3+]CCN1C[C@H](CO)Cc2ccccc21 ZINC000616674232 351238984 /nfs/dbraw/zinc/23/89/84/351238984.db2.gz ZVVIYMJZCRMVAC-SNVBAGLBSA-N 1 0 206.289 0.616 10 0 BCAERO CS(C)(=O)=NC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000306864997 351243898 /nfs/dbraw/zinc/24/38/98/351243898.db2.gz LNTLKHUWUZGLIA-HTQZYQBOSA-N 1 0 218.322 0.758 10 0 BCAERO [NH3+][C@@H]1CC(=O)N(CCc2nccs2)C1 ZINC000063135456 351248197 /nfs/dbraw/zinc/24/81/97/351248197.db2.gz SMBKJMAJIRGSNL-SSDOTTSWSA-N 1 0 211.290 0.245 10 0 BCAERO [NH3+]CCN1c2ccccc2NC[C@H]1CO ZINC000616682845 351253479 /nfs/dbraw/zinc/25/34/79/351253479.db2.gz DBANPHHRSKCINQ-VIFPVBQESA-N 1 0 207.277 0.238 10 0 BCAERO COC(=O)[C@@H]1CNc2ccccc2N1CC[NH3+] ZINC000616683408 351254353 /nfs/dbraw/zinc/25/43/53/351254353.db2.gz GNWGQLFLGDLMCD-NSHDSACASA-N 1 0 235.287 0.419 10 0 BCAERO CC(=O)[C@@H]1CNc2ccccc2N1CC[NH3+] ZINC000616685423 351257712 /nfs/dbraw/zinc/25/77/12/351257712.db2.gz VHUWPRDGGRTJIF-LBPRGKRZSA-N 1 0 219.288 0.835 10 0 BCAERO CC(=O)N[C@@H]1CC[N@H+](C(C)C)CCO1 ZINC000616687466 351258546 /nfs/dbraw/zinc/25/85/46/351258546.db2.gz ZNXJGPBWLPUWSC-JTQLQIEISA-N 1 0 200.282 0.579 10 0 BCAERO [NH3+]CCN1CCOCC[C@H]1c1cocn1 ZINC000616656740 351196721 /nfs/dbraw/zinc/19/67/21/351196721.db2.gz NKCJOFNYQFYTBS-JTQLQIEISA-N 1 0 211.265 0.397 10 0 BCAERO OCCN1CC[NH2+][C@@H](c2ccccn2)C1 ZINC000616654686 351196823 /nfs/dbraw/zinc/19/68/23/351196823.db2.gz MEUCFEYCLOEYAN-LLVKDONJSA-N 1 0 207.277 0.020 10 0 BCAERO [NH3+][C@H]1CC[C@H](C(=O)NCCOC(F)(F)F)C1 ZINC000398138569 363018348 /nfs/dbraw/zinc/01/83/48/363018348.db2.gz OVDLTUIXKYADCQ-BQBZGAKWSA-N 1 0 240.225 0.766 10 0 BCAERO [NH3+]CCN1CCOCC[C@H]1c1ncc[nH]1 ZINC000616656787 351197450 /nfs/dbraw/zinc/19/74/50/351197450.db2.gz NYYFWSBQSNNULT-VIFPVBQESA-N 1 0 210.281 0.132 10 0 BCAERO [NH3+]CCN1CCOCC[C@@H]1c1ccon1 ZINC000616657081 351198139 /nfs/dbraw/zinc/19/81/39/351198139.db2.gz KCQCFXIYXHWZPW-SNVBAGLBSA-N 1 0 211.265 0.397 10 0 BCAERO CCOC(=O)N1CCOC[C@H]([NH2+]C)C1 ZINC000616657309 351198322 /nfs/dbraw/zinc/19/83/22/351198322.db2.gz DMYJPRPBMOURGT-MRVPVSSYSA-N 1 0 202.254 0.063 10 0 BCAERO OCCN1CCOCC[C@@H]1c1ncccn1 ZINC000616655999 351201667 /nfs/dbraw/zinc/20/16/67/351201667.db2.gz PIPYECWJYUNJDO-SNVBAGLBSA-N 1 0 223.276 0.232 10 0 BCAERO [NH3+]CCN1CCOCC[C@@H]1OC(F)(F)F ZINC000616656437 351202451 /nfs/dbraw/zinc/20/24/51/351202451.db2.gz AOSXGMMSFPDPGR-ZETCQYMHSA-N 1 0 228.214 0.530 10 0 BCAERO OCC[N@@H+]1CCCC[C@@H](c2cn[nH]n2)C1 ZINC000616656248 351202477 /nfs/dbraw/zinc/20/24/77/351202477.db2.gz USOKLDJFSLRHAH-SECBINFHSA-N 1 0 210.281 0.367 10 0 BCAERO CC[N@@H+]1CCCC[C@@H](S(N)(=O)=O)C1 ZINC000616656346 351202695 /nfs/dbraw/zinc/20/26/95/351202695.db2.gz VWMJFRNNLWDUTA-MRVPVSSYSA-N 1 0 206.311 0.149 10 0 BCAERO CCOC(=O)N1CCOC[C@@H](C[NH3+])C1 ZINC000616659787 351208308 /nfs/dbraw/zinc/20/83/08/351208308.db2.gz FQFOLTJKOQOWFY-QMMMGPOBSA-N 1 0 202.254 0.050 10 0 BCAERO OCC[N@@H+]1CCOC[C@H](c2cccnc2)C1 ZINC000616661543 351209724 /nfs/dbraw/zinc/20/97/24/351209724.db2.gz UJXIFONLOWRXEV-GFCCVEGCSA-N 1 0 222.288 0.490 10 0 BCAERO OCCc1cccc([C@H]2C[NH2+]CCOC2)c1 ZINC000616661659 351210690 /nfs/dbraw/zinc/21/06/90/351210690.db2.gz WUKXDTJUFFMJLE-ZDUSSCGKSA-N 1 0 221.300 0.925 10 0 BCAERO OCC[N@@H+]1CCOC[C@@H](c2cccnc2)C1 ZINC000616661550 351210979 /nfs/dbraw/zinc/21/09/79/351210979.db2.gz UJXIFONLOWRXEV-LBPRGKRZSA-N 1 0 222.288 0.490 10 0 BCAERO OCC[N@@H+]1CCOC[C@H](Nc2ccccn2)C1 ZINC000616660622 351212414 /nfs/dbraw/zinc/21/24/14/351212414.db2.gz OSAWYQOYFQBGIS-LLVKDONJSA-N 1 0 237.303 0.187 10 0 BCAERO C[N@@H+]1CCOC[C@@H](c2cccc(N)n2)C1 ZINC000616661201 351214180 /nfs/dbraw/zinc/21/41/80/351214180.db2.gz LPSRSZVXZTYJOI-VIFPVBQESA-N 1 0 207.277 0.709 10 0 BCAERO Nc1ccc([C@H]2COCCN(CC[NH3+])C2)cc1 ZINC000616663127 351214925 /nfs/dbraw/zinc/21/49/25/351214925.db2.gz JFDCYLZOFRRGHM-GFCCVEGCSA-N 1 0 235.331 0.643 10 0 BCAERO COC(=O)N1CCO[C@H](CC[NH3+])CC1 ZINC000616664073 351214958 /nfs/dbraw/zinc/21/49/58/351214958.db2.gz NJJMXROVHJVPBK-MRVPVSSYSA-N 1 0 202.254 0.193 10 0 BCAERO CCOC(=O)N1CCO[C@@H](C[NH3+])CC1 ZINC000616663513 351215934 /nfs/dbraw/zinc/21/59/34/351215934.db2.gz RJVBZIRJTRTWDY-MRVPVSSYSA-N 1 0 202.254 0.193 10 0 BCAERO [NH3+]CCN1CCOC[C@@H](Nc2ccccn2)C1 ZINC000616663797 351216761 /nfs/dbraw/zinc/21/67/61/351216761.db2.gz LRDONMDSEFJACO-NSHDSACASA-N 1 0 236.319 0.153 10 0 BCAERO NC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)CCO1 ZINC000616664141 351216814 /nfs/dbraw/zinc/21/68/14/351216814.db2.gz OYMCWRPKHUYGBV-LBPRGKRZSA-N 1 0 234.299 0.763 10 0 BCAERO CC(=O)N1CCOC[C@H](c2cccnc2N)C1 ZINC000616662290 351217740 /nfs/dbraw/zinc/21/77/40/351217740.db2.gz ACGYZYTYMARQRB-SNVBAGLBSA-N 1 0 235.287 0.626 10 0 BCAERO [NH3+]CCN1CCOC[C@@H](c2cccnc2)C1 ZINC000616664455 351220012 /nfs/dbraw/zinc/22/00/12/351220012.db2.gz TZGHZVOUTJWIRB-LBPRGKRZSA-N 1 0 221.304 0.456 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)NCCOC(F)(F)F ZINC000398123979 363016026 /nfs/dbraw/zinc/01/60/26/363016026.db2.gz JZUQWLDPTZANLB-ZCFIWIBFSA-N 1 0 228.214 0.766 10 0 BCAERO CN(C)c1ccc(C(=O)N[C@@H]2CC[NH2+]C2)cc1 ZINC000036286665 358461796 /nfs/dbraw/zinc/46/17/96/358461796.db2.gz XNXUWYVBGQWALR-LLVKDONJSA-N 1 0 233.315 0.844 10 0 BCAERO C[C@@H]1CSCCN1C1(C[NH3+])CSC1 ZINC000306909094 351321615 /nfs/dbraw/zinc/32/16/15/351321615.db2.gz GHKPOKKBMMBCGD-MRVPVSSYSA-N 1 0 218.391 0.868 10 0 BCAERO CC[C@H](C(N)=S)[N@@H+]1C[C@@H](O)C(C)(C)C1 ZINC000306880737 351279937 /nfs/dbraw/zinc/27/99/37/351279937.db2.gz KXHLHTRNCMEXET-HTQZYQBOSA-N 1 0 216.350 0.754 10 0 BCAERO c1noc(CCNC2=[NH+]CCCS2)n1 ZINC000231843281 351405754 /nfs/dbraw/zinc/40/57/54/351405754.db2.gz RVHUWSGTGDXTPS-UHFFFAOYSA-N 1 0 212.278 0.695 10 0 BCAERO CO[C@@H]1C[C@@H](CO)[N@@H+]([C@@H]2CCCC2=O)C1 ZINC000306965150 351385511 /nfs/dbraw/zinc/38/55/11/351385511.db2.gz JZVQRBAODCCORE-IVZWLZJFSA-N 1 0 213.277 0.190 10 0 BCAERO O=C1Cc2ccccc2C(=O)N1[C@@H]1CCC[NH2+]C1 ZINC000034957497 351362955 /nfs/dbraw/zinc/36/29/55/351362955.db2.gz WOKPRBCEQTUAQG-LLVKDONJSA-N 1 0 244.294 0.964 10 0 BCAERO OC1(c2cc(F)c(F)cc2F)C[NH2+]C1 ZINC000307043076 351445169 /nfs/dbraw/zinc/44/51/69/351445169.db2.gz CWYYFVQZAQAWFH-UHFFFAOYSA-N 1 0 203.163 0.895 10 0 BCAERO CC(C)[S@@](=O)N1CC[C@H]([NH3+])C[C@H]1C ZINC000307045836 351446504 /nfs/dbraw/zinc/44/65/04/351446504.db2.gz WPOBCSKTOZHZAI-VYUIOLGVSA-N 1 0 204.339 0.870 10 0 BCAERO C[C@@H]1C[C@@H](C(=O)N=S(C)(C)=O)CC[NH2+]1 ZINC000306998519 351412373 /nfs/dbraw/zinc/41/23/73/351412373.db2.gz CAXXCTGIFLBKPL-SFYZADRCSA-N 1 0 218.322 0.629 10 0 BCAERO C[C@H]1C[C@H](C(=O)N=S(C)(C)=O)CC[NH2+]1 ZINC000306998518 351412726 /nfs/dbraw/zinc/41/27/26/351412726.db2.gz CAXXCTGIFLBKPL-JGVFFNPUSA-N 1 0 218.322 0.629 10 0 BCAERO NC(=[NH2+])N[C@H](CO)c1ccccc1Cl ZINC000307014779 351423071 /nfs/dbraw/zinc/42/30/71/351423071.db2.gz POHGXEZZJFMRHI-MRVPVSSYSA-N 1 0 213.668 0.856 10 0 BCAERO CC(C)([NH2+][C@H]1CCC[C@]1(C)O)C(N)=O ZINC000307019797 351424099 /nfs/dbraw/zinc/42/40/99/351424099.db2.gz YPFNFIULMBNEOC-XVKPBYJWSA-N 1 0 200.282 0.143 10 0 BCAERO C[C@@H]([NH3+])[C@H](C)N1C[C@@H](C)CS1(=O)=O ZINC000307135722 351494194 /nfs/dbraw/zinc/49/41/94/351494194.db2.gz ROMCMOLWZVRSLW-PRJMDXOYSA-N 1 0 206.311 0.004 10 0 BCAERO C[C@@H]1[C@]2(CCS1(=O)=O)CC[NH2+]C[C@H]2C ZINC000307138563 351495054 /nfs/dbraw/zinc/49/50/54/351495054.db2.gz ATIWGBCCGUFVLN-BBBLOLIVSA-N 1 0 217.334 0.809 10 0 BCAERO COC[C@H]([NH3+])C(=O)N1CCC[C@H]2CCC[C@@H]21 ZINC000088004742 351510912 /nfs/dbraw/zinc/51/09/12/351510912.db2.gz JWGFLMMWSSXEHP-VWYCJHECSA-N 1 0 226.320 0.751 10 0 BCAERO CC[C@@H]1CCCN(C(=O)[C@@H]([NH3+])COC)CC1 ZINC000088004529 351510936 /nfs/dbraw/zinc/51/09/36/351510936.db2.gz XQWSDOJOTGBKNW-MNOVXSKESA-N 1 0 228.336 0.999 10 0 BCAERO COC[C@@H]([NH3+])C(=O)Nc1cc(C)ccc1O ZINC000088005026 351511565 /nfs/dbraw/zinc/51/15/65/351511565.db2.gz KUGUQJNEJRZISY-MRVPVSSYSA-N 1 0 224.260 0.613 10 0 BCAERO C[C@H]1CC/C(=C/CS(C)(=O)=O)C[NH2+]1 ZINC000307098063 351478280 /nfs/dbraw/zinc/47/82/80/351478280.db2.gz VQQLMSFNKUEAQU-HXOPTJOXSA-N 1 0 203.307 0.729 10 0 BCAERO O[C@H]1C[NH2+]CCN(CC=C(Cl)Cl)C1 ZINC000403597167 363046319 /nfs/dbraw/zinc/04/63/19/363046319.db2.gz FZKXJSQKBBVBJW-ZETCQYMHSA-N 1 0 225.119 0.572 10 0 BCAERO COC[C@@H]([NH3+])C(=O)Nc1nc(C)cs1 ZINC000088002479 351483135 /nfs/dbraw/zinc/48/31/35/351483135.db2.gz VKDSKXBKSHCRIL-ZCFIWIBFSA-N 1 0 215.278 0.364 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N(C)Cc1ccncc1 ZINC000088002902 351487828 /nfs/dbraw/zinc/48/78/28/351487828.db2.gz IESMCJOLFCUNRO-SNVBAGLBSA-N 1 0 223.276 0.014 10 0 BCAERO [NH3+]CC1(N2CCCOCC2)CSC1 ZINC000307177457 351565518 /nfs/dbraw/zinc/56/55/18/351565518.db2.gz WNACHAWZGAPWEV-UHFFFAOYSA-N 1 0 202.323 0.153 10 0 BCAERO C[C@H]1CCN(C(=O)C(C)(C)F)C[C@@H]1[NH3+] ZINC000307180115 351566676 /nfs/dbraw/zinc/56/66/76/351566676.db2.gz NLNAYDKZKFMCCP-YUMQZZPRSA-N 1 0 202.273 0.930 10 0 BCAERO C[C@@H]1CCN(C(=O)C(C)(C)F)C[C@@H]1[NH3+] ZINC000307180114 351566937 /nfs/dbraw/zinc/56/69/37/351566937.db2.gz NLNAYDKZKFMCCP-SFYZADRCSA-N 1 0 202.273 0.930 10 0 BCAERO C[C@@H]1[N@H+](Cc2ccccc2)CC[C@]1(O)C(N)=O ZINC000307180724 351573222 /nfs/dbraw/zinc/57/32/22/351573222.db2.gz LRNWQXTUUJDVBT-GXFFZTMASA-N 1 0 234.299 0.497 10 0 BCAERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1nncn1C ZINC000177714819 366023779 /nfs/dbraw/zinc/02/37/79/366023779.db2.gz NMZZQRWRZMBJTM-LLVKDONJSA-N 1 0 237.351 0.731 10 0 BCAERO CO[C@H]1C[NH2+][C@H](C(=O)c2ccsn2)C1 ZINC000307186873 351588193 /nfs/dbraw/zinc/58/81/93/351588193.db2.gz NNYRRARXRXAUAR-SVRRBLITSA-N 1 0 212.274 0.703 10 0 BCAERO [NH3+][C@@H](CO)COCOCc1ccccc1 ZINC000307188499 351590091 /nfs/dbraw/zinc/59/00/91/351590091.db2.gz BMEWXTUCKSZZPJ-NSHDSACASA-N 1 0 211.261 0.497 10 0 BCAERO CNC(=O)[C@H](C)[N@@H+]1CCS[C@H](C)C1 ZINC000307190964 351592620 /nfs/dbraw/zinc/59/26/20/351592620.db2.gz KBJUNCAUVCMRGR-SFYZADRCSA-N 1 0 202.323 0.558 10 0 BCAERO CC(=O)CC[N@@H+]1C[C@H]2CN(C)CC[C@@H]2C1 ZINC000307194064 351595351 /nfs/dbraw/zinc/59/53/51/351595351.db2.gz HXLNPIPHUIKLOJ-VXGBXAGGSA-N 1 0 210.321 0.849 10 0 BCAERO NC(=O)[C@@H](N)c1cc(Cl)ccc1F ZINC000161111783 363076077 /nfs/dbraw/zinc/07/60/77/363076077.db2.gz GKCVNZWIUUWXEY-ZETCQYMHSA-N 1 0 202.616 0.964 10 0 BCAERO CC[C@@H](NC(C)=O)C(=O)N1CCCC[C@H]1C[NH3+] ZINC000637816489 351655944 /nfs/dbraw/zinc/65/59/44/351655944.db2.gz HYCZQYUMLPJHDG-WDEREUQCSA-N 1 0 241.335 0.241 10 0 BCAERO CCS(=O)(=O)N1C[C@H]([NH3+])CC[C@@H]1C ZINC000307231978 351687289 /nfs/dbraw/zinc/68/72/89/351687289.db2.gz CBQLCUZCGKCLSV-JGVFFNPUSA-N 1 0 206.311 0.148 10 0 BCAERO C[C@H](CN(C)Cc1ccccc1)NC(N)=[NH2+] ZINC000307233580 351702264 /nfs/dbraw/zinc/70/22/64/351702264.db2.gz MAAJVKIRLSTUTN-SNVBAGLBSA-N 1 0 220.320 0.990 10 0 BCAERO COC1CC(C(=O)NCC[C@@H](C)[NH3+])C1 ZINC000637824541 351664338 /nfs/dbraw/zinc/66/43/38/351664338.db2.gz NQHOKGHWDQEEHD-AFPNSQJFSA-N 1 0 200.282 0.265 10 0 BCAERO C[C@H]([NH3+])CCNC(=O)[C@@H]1C[C@H](C)O[C@H]1C ZINC000637824840 351665049 /nfs/dbraw/zinc/66/50/49/351665049.db2.gz QNVHVNQOGCLJOJ-AATLWQCWSA-N 1 0 214.309 0.653 10 0 BCAERO CC(=O)N[C@H](CC(C)C)C(=O)NCC[C@@H](C)[NH3+] ZINC000637825180 351665348 /nfs/dbraw/zinc/66/53/48/351665348.db2.gz UAORYJWHFHZYEF-MWLCHTKSSA-N 1 0 243.351 0.391 10 0 BCAERO C[C@H](CO)C[N@@H+]1CCN2CCCC[C@H]2C1 ZINC000252727948 538100974 /nfs/dbraw/zinc/10/09/74/538100974.db2.gz TVEFVPPJTXFJQI-RYUDHWBXSA-N 1 0 212.337 0.785 10 0 BCAERO C[C@@H]1CN(C(=O)C2=CC[C@@H]([NH3+])C2)C[C@@H](C)O1 ZINC000637869128 351728884 /nfs/dbraw/zinc/72/88/84/351728884.db2.gz SNHIYCFNRMKGEY-FXPVBKGRSA-N 1 0 224.304 0.670 10 0 BCAERO [NH3+]C[C@H]1CSCCN1[C@@H]1CCOC1 ZINC000307239589 351731163 /nfs/dbraw/zinc/73/11/63/351731163.db2.gz PQSLBWYRSRDIPJ-BDAKNGLRSA-N 1 0 202.323 0.151 10 0 BCAERO CO[C@@H]1C[NH2+][C@@](C)(C(=O)N[C@H](C)C(C)C)C1 ZINC000637876219 351741712 /nfs/dbraw/zinc/74/17/12/351741712.db2.gz JGKFVOMZGSNMQD-JFGNBEQYSA-N 1 0 228.336 0.914 10 0 BCAERO Cn1cnnc1[C@H]([NH3+])[C@@H]1CSCCS1 ZINC000307244361 351750077 /nfs/dbraw/zinc/75/00/77/351750077.db2.gz LBZTUXYGOXMEHB-NKWVEPMBSA-N 1 0 230.362 0.664 10 0 BCAERO COC1CC(C(=O)N[C@@H]2CCC[C@H]2C[NH3+])C1 ZINC000637850538 351708394 /nfs/dbraw/zinc/70/83/94/351708394.db2.gz KCHRSAJJAISCIW-IDWGSYCQSA-N 1 0 226.320 0.655 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)c1cccnn1 ZINC000637852540 351711284 /nfs/dbraw/zinc/71/12/84/351711284.db2.gz WOLLGTHYABFZSE-DTWKUNHWSA-N 1 0 220.276 0.334 10 0 BCAERO CCCCS(=O)(=O)N1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631967186 363088177 /nfs/dbraw/zinc/08/81/77/363088177.db2.gz DCOROOUKYBSUGA-ZJUUUORDSA-N 1 0 234.365 0.643 10 0 BCAERO CC[NH2+][C@H](C)C(=O)NCC[C@H]1CCCO1 ZINC000637904539 351775407 /nfs/dbraw/zinc/77/54/07/351775407.db2.gz XHYUXHLUTQVADF-NXEZZACHSA-N 1 0 214.309 0.670 10 0 BCAERO C[NH+](C)C1CN(c2nc(C[NH3+])cs2)C1 ZINC000307253125 351783924 /nfs/dbraw/zinc/78/39/24/351783924.db2.gz UPSJDRAQPJUNSU-UHFFFAOYSA-N 1 0 212.322 0.352 10 0 BCAERO CC[NH2+][C@H](C)C(=O)N[C@H](C)[C@H]1CCCO1 ZINC000637928245 351804644 /nfs/dbraw/zinc/80/46/44/351804644.db2.gz AAVDCJNTWPSMCV-OPRDCNLKSA-N 1 0 214.309 0.668 10 0 BCAERO CC1(C)OC[C@H]([C@@H](O)C[NH2+]CC2CC2)O1 ZINC000725269305 538101274 /nfs/dbraw/zinc/10/12/74/538101274.db2.gz PJJWTUIDEGWQQS-VHSXEESVSA-N 1 0 215.293 0.498 10 0 BCAERO CC[C@@]1(C(=O)c2nncn2C)CCC[NH2+]1 ZINC000307254605 351789124 /nfs/dbraw/zinc/78/91/24/351789124.db2.gz YCULUKSKHIVCPX-JTQLQIEISA-N 1 0 208.265 0.530 10 0 BCAERO CC[NH2+][C@@H](C)C(=O)N1CCC[C@H](NC(C)=O)C1 ZINC000637922543 351797878 /nfs/dbraw/zinc/79/78/78/351797878.db2.gz QVDINODPQXQKII-ONGXEEELSA-N 1 0 241.335 0.112 10 0 BCAERO CN(C)S(=O)(=O)N(C)c1ccncc1 ZINC000307259080 351800115 /nfs/dbraw/zinc/80/01/15/351800115.db2.gz KHSPSTCAQAZDMD-UHFFFAOYSA-N 1 0 215.278 0.324 10 0 BCAERO CC1(C)C[NH2+]CC[C@H]1NC(=O)C(F)F ZINC000307272503 351825241 /nfs/dbraw/zinc/82/52/41/351825241.db2.gz FESSDPRUVUIVFO-ZCFIWIBFSA-N 1 0 206.236 0.756 10 0 BCAERO C[C@H]1CN(S(=O)(=O)C2CC2)C[C@@H]1C[NH3+] ZINC000631967782 363093611 /nfs/dbraw/zinc/09/36/11/363093611.db2.gz MWQDMORZAQJRRW-YUMQZZPRSA-N 1 0 218.322 0.005 10 0 BCAERO C[C@@H]1CN(S(=O)(=O)C2CC2)C[C@@H]1C[NH3+] ZINC000631967781 363094155 /nfs/dbraw/zinc/09/41/55/363094155.db2.gz MWQDMORZAQJRRW-SFYZADRCSA-N 1 0 218.322 0.005 10 0 BCAERO CS(C)(=O)=NC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000307262213 351808546 /nfs/dbraw/zinc/80/85/46/351808546.db2.gz WLLODMAONWRHKZ-BQBZGAKWSA-N 1 0 204.295 0.368 10 0 BCAERO C[C@H](O)C1CCN(C(=O)C2=CC[C@H]([NH3+])C2)CC1 ZINC000637975280 351851308 /nfs/dbraw/zinc/85/13/08/351851308.db2.gz ICWQQAZHWSCDLK-CABZTGNLSA-N 1 0 238.331 0.653 10 0 BCAERO OC1(c2cc(F)cc(F)c2F)C[NH2+]C1 ZINC000307285530 351851635 /nfs/dbraw/zinc/85/16/35/351851635.db2.gz MPNDPVKMSBHXFU-UHFFFAOYSA-N 1 0 203.163 0.895 10 0 BCAERO CC[NH2+][C@@H](C)C(=O)N1CCS[C@@H](C)C1 ZINC000637978341 351853497 /nfs/dbraw/zinc/85/34/97/351853497.db2.gz HIEVHNYBDSTYII-IUCAKERBSA-N 1 0 216.350 0.948 10 0 BCAERO [NH3+]C[C@]1(C(=O)N[C@H]2CCCOC2)CCCOC1 ZINC000637981784 351856736 /nfs/dbraw/zinc/85/67/36/351856736.db2.gz KWOVMVWKVCVPJH-CMPLNLGQSA-N 1 0 242.319 0.037 10 0 BCAERO C[C@H]1CN(C(=O)CCC2C[NH2+]C2)CCS1 ZINC000637979662 351857433 /nfs/dbraw/zinc/85/74/33/351857433.db2.gz NVCNHEDIRYVXOA-VIFPVBQESA-N 1 0 228.361 0.950 10 0 BCAERO [NH3+][C@@H]1CC=C(C(=O)NC[C@@H]2CCC[C@@H]2O)C1 ZINC000637966397 351839722 /nfs/dbraw/zinc/83/97/22/351839722.db2.gz ZSPRAOVXWHWPIT-AXFHLTTASA-N 1 0 224.304 0.311 10 0 BCAERO [NH3+][C@@H]1CC=C(C(=O)NC[C@H]2CCC[C@@H]2O)C1 ZINC000637966400 351839824 /nfs/dbraw/zinc/83/98/24/351839824.db2.gz ZSPRAOVXWHWPIT-MXWKQRLJSA-N 1 0 224.304 0.311 10 0 BCAERO [NH3+][C@@H]1CC=C(C(=O)NC[C@@H]2CCC[C@H]2O)C1 ZINC000637966399 351840109 /nfs/dbraw/zinc/84/01/09/351840109.db2.gz ZSPRAOVXWHWPIT-HBNTYKKESA-N 1 0 224.304 0.311 10 0 BCAERO OC1CC[NH+]([C@@H]2CCO[C@]23CCOC3)CC1 ZINC000725269416 538101479 /nfs/dbraw/zinc/10/14/79/538101479.db2.gz TZXIUCFPHNVIGE-NEPJUHHUSA-N 1 0 227.304 0.391 10 0 BCAERO COC(=O)[C@H]1CCC[N@@H+]([C@H]2[C@@H]3COC[C@@H]32)C1 ZINC000725269437 538101524 /nfs/dbraw/zinc/10/15/24/538101524.db2.gz LCKSBHQDXHBBJX-UKKRHICBSA-N 1 0 225.288 0.516 10 0 BCAERO C[C@@H](NC(=O)[C@@H]1OCC[C@@H]1[NH3+])C1CCCC1 ZINC000637992280 351869739 /nfs/dbraw/zinc/86/97/39/351869739.db2.gz XXPYIWSGTHKYPP-DVVUODLYSA-N 1 0 226.320 0.798 10 0 BCAERO CNC(=S)NC[C@H]1C[C@@H](C)[N@H+](C)C1 ZINC000307332644 352048333 /nfs/dbraw/zinc/04/83/33/352048333.db2.gz AGIUMXAIXVJATR-HTQZYQBOSA-N 1 0 201.339 0.421 10 0 BCAERO C=CS(=O)(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000307325749 352021510 /nfs/dbraw/zinc/02/15/10/352021510.db2.gz LWLRWNBRPBRRJU-MRVPVSSYSA-N 1 0 204.295 0.096 10 0 BCAERO Cc1conc1C(=O)NC[C@H]1CC[NH2+]C1 ZINC000638165551 352029851 /nfs/dbraw/zinc/02/98/51/352029851.db2.gz OUBUBRTUXLXOIN-QMMMGPOBSA-N 1 0 209.249 0.322 10 0 BCAERO C[C@@H]1OCC[C@H]1NC(=O)[C@]1(C[NH3+])CCCOC1 ZINC000638168816 352032121 /nfs/dbraw/zinc/03/21/21/352032121.db2.gz HUYOBXWJKAYKML-UMNHJUIQSA-N 1 0 242.319 0.036 10 0 BCAERO COC1CC(C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)C1 ZINC000638170765 352033626 /nfs/dbraw/zinc/03/36/26/352033626.db2.gz UGIUVRIEVFXLNS-PFEFSLHISA-N 1 0 238.331 0.607 10 0 BCAERO CCNC(=O)N1CCC2(CC1)OCC[C@H]2[NH3+] ZINC000725270071 538101928 /nfs/dbraw/zinc/10/19/28/538101928.db2.gz WSEUXSAWCYAZNH-SECBINFHSA-N 1 0 227.308 0.298 10 0 BCAERO CC[NH2+][C@H](C)C(=O)N[C@@H]1CCO[C@H]1C ZINC000638171414 352039028 /nfs/dbraw/zinc/03/90/28/352039028.db2.gz VTOUCPPXJPSBMM-HRDYMLBCSA-N 1 0 200.282 0.278 10 0 BCAERO CC(=O)N1CCCN([C@@H]2CCC[NH2+]C2)CC1 ZINC000042680040 187603995 /nfs/dbraw/zinc/60/39/95/187603995.db2.gz ACQVNRLPGOHCEN-GFCCVEGCSA-N 1 0 225.336 0.293 10 0 BCAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)[C@H]1CCCC12CC2 ZINC000638231224 352083416 /nfs/dbraw/zinc/08/34/16/352083416.db2.gz PKYHBPAERVSDNH-AXFHLTTASA-N 1 0 238.331 0.263 10 0 BCAERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)[C@@H]1CCCC12CC2 ZINC000638231226 352083440 /nfs/dbraw/zinc/08/34/40/352083440.db2.gz PKYHBPAERVSDNH-GARJFASQSA-N 1 0 238.331 0.263 10 0 BCAERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)C1CCC=CCC1 ZINC000638230310 352083646 /nfs/dbraw/zinc/08/36/46/352083646.db2.gz MNHXQTBAZNGULW-NWDGAFQWSA-N 1 0 238.331 0.429 10 0 BCAERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)C1CCC=CCC1 ZINC000638230307 352083654 /nfs/dbraw/zinc/08/36/54/352083654.db2.gz MNHXQTBAZNGULW-NEPJUHHUSA-N 1 0 238.331 0.429 10 0 BCAERO O=C(NC[C@H]1C[NH2+]C[C@H]1O)C1CCC=CCC1 ZINC000638230314 352083735 /nfs/dbraw/zinc/08/37/35/352083735.db2.gz MNHXQTBAZNGULW-VXGBXAGGSA-N 1 0 238.331 0.429 10 0 BCAERO CC(C)(C[NH3+])C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000052008154 187609896 /nfs/dbraw/zinc/60/98/96/187609896.db2.gz FISFKXGTJDYTDY-BDAKNGLRSA-N 1 0 214.309 0.391 10 0 BCAERO N[C@H]1C[NH2+]Cc2c1c(=O)[nH]n2Cc1ccccc1 ZINC000536953922 538102273 /nfs/dbraw/zinc/10/22/73/538102273.db2.gz JWRCEYMDOBPPLY-JTQLQIEISA-N 1 0 244.298 0.740 10 0 BCAERO CC(C)C[C@H](C)[NH2+][C@@H]1CC(=O)N(C)C1=O ZINC000102664959 187642672 /nfs/dbraw/zinc/64/26/72/187642672.db2.gz ALLXCJATZIXBQY-DTWKUNHWSA-N 1 0 212.293 0.768 10 0 BCAERO CCC[C@H](CNC(=O)[C@H]1CC[NH2+]C1)OCC ZINC000638458262 352268938 /nfs/dbraw/zinc/26/89/38/352268938.db2.gz QOECGCHDUUVHRF-WDEREUQCSA-N 1 0 228.336 0.917 10 0 BCAERO CCS(=O)(=O)Nc1cccc(C[NH3+])n1 ZINC000725270642 538102482 /nfs/dbraw/zinc/10/24/82/538102482.db2.gz ONGZUIUKQFYSMA-UHFFFAOYSA-N 1 0 215.278 0.302 10 0 BCAERO CC(C)C[C@H](C)NC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000222534601 363181279 /nfs/dbraw/zinc/18/12/79/363181279.db2.gz NHMYSZZTSKKTNY-IVZWLZJFSA-N 1 0 214.309 0.260 10 0 BCAERO C[N@H+](CCO)[C@H]1CCC[C@@]23C[C@@H](CO2)[C@@H]13 ZINC000725270912 538102710 /nfs/dbraw/zinc/10/27/10/538102710.db2.gz GTMLMEIHDPIUSM-BJDJZHNGSA-N 1 0 211.305 0.868 10 0 BCAERO O=C(N[C@@H]1CCSC1)[C@H]1CC[NH2+]C1 ZINC000226357976 352338940 /nfs/dbraw/zinc/33/89/40/352338940.db2.gz KVXIOFZBSJVKCL-JGVFFNPUSA-N 1 0 200.307 0.218 10 0 BCAERO CCNS(=O)(=O)C[C@@]12CC[NH2+][C@H]1CCCC2 ZINC000725272042 538103756 /nfs/dbraw/zinc/10/37/56/538103756.db2.gz FZPRDXPVJFPMBW-WDEREUQCSA-N 1 0 246.376 0.848 10 0 BCAERO CC(C)(C)OC(=O)NCCN1CC[C@@H]([NH3+])C1 ZINC000307368174 352453471 /nfs/dbraw/zinc/45/34/71/352453471.db2.gz MWCTUEWLYZOVKK-SECBINFHSA-N 1 0 229.324 0.544 10 0 BCAERO C[NH2+][C@H](C)C(=O)N[C@@H]1[C@H](C)O[C@@H](C)[C@H]1C ZINC000638629371 352470509 /nfs/dbraw/zinc/47/05/09/352470509.db2.gz NDRXTQRGLZAVMF-ZJDVBMNYSA-N 1 0 214.309 0.522 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N1CCC(F)(F)C[C@H]1C ZINC000638631865 352471935 /nfs/dbraw/zinc/47/19/35/352471935.db2.gz UIDFFKCNOOYJIT-HTQZYQBOSA-N 1 0 236.262 0.606 10 0 BCAERO C[C@H]([NH3+])CC(=O)N[C@H]1[C@@H](C)[C@@H](C)O[C@H]1C ZINC000638631688 352472405 /nfs/dbraw/zinc/47/24/05/352472405.db2.gz WNYQDPSPICMQEA-UBVHSMIISA-N 1 0 214.309 0.652 10 0 BCAERO C[C@@H]1CN(C2(C[NH3+])CSC2)CCO1 ZINC000307378739 352477850 /nfs/dbraw/zinc/47/78/50/352477850.db2.gz WZTKGNSHXSOJSW-MRVPVSSYSA-N 1 0 202.323 0.151 10 0 BCAERO CC1(NC(=O)[C@H]2CCCS2)C[NH2+]C1 ZINC000307381380 352489010 /nfs/dbraw/zinc/48/90/10/352489010.db2.gz ZFHSNUXLWXORPY-SSDOTTSWSA-N 1 0 200.307 0.360 10 0 BCAERO CC1CC(C(=O)NCCOCCC[NH3+])C1 ZINC000638660050 352501770 /nfs/dbraw/zinc/50/17/70/352501770.db2.gz OLEDJJMJMHLKBR-UHFFFAOYSA-N 1 0 214.309 0.514 10 0 BCAERO C[S@](=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000307384432 352511141 /nfs/dbraw/zinc/51/11/41/352511141.db2.gz JPVVMNLMNKKJNB-YFBYITSOSA-N 1 0 202.323 0.339 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)N1CCO[C@H](CCF)C1 ZINC000638682876 352520556 /nfs/dbraw/zinc/52/05/56/352520556.db2.gz BDGMIKPKRWHFNK-GHMZBOCLSA-N 1 0 246.326 0.947 10 0 BCAERO CC(C)[C@H](C)NC(=O)N[C@H](C)C1C[NH2+]C1 ZINC000725273175 538104377 /nfs/dbraw/zinc/10/43/77/538104377.db2.gz ZSDXBRCUQONINN-DTWKUNHWSA-N 1 0 213.325 0.938 10 0 BCAERO C[C@@H]([NH3+])C(=O)N[C@H]1CCC[C@@H](CO)C1 ZINC000307446944 352602060 /nfs/dbraw/zinc/60/20/60/352602060.db2.gz IAFKIZCPLOGNKZ-HLTSFMKQSA-N 1 0 200.282 0.001 10 0 BCAERO C[C@@H](C(N)=S)[N@@H+]1C[C@H](O)CC[C@H]1C ZINC000307453882 352609101 /nfs/dbraw/zinc/60/91/01/352609101.db2.gz VIECWEAVTSIYSE-GJMOJQLCSA-N 1 0 202.323 0.506 10 0 BCAERO [NH3+]C/C=C/C(=O)N(CCO)Cc1ccccc1 ZINC000307472784 352612850 /nfs/dbraw/zinc/61/28/50/352612850.db2.gz QSQBOOPHJSKOGD-QPJJXVBHSA-N 1 0 234.299 0.522 10 0 BCAERO C[C@@H]1CN(C2(C[NH3+])CSC2)CCS1 ZINC000307470436 352616972 /nfs/dbraw/zinc/61/69/72/352616972.db2.gz PYMPREFDNAYFNH-MRVPVSSYSA-N 1 0 218.391 0.868 10 0 BCAERO Cn1ncc(CC(=O)[C@H]2CCC[C@H]2[NH3+])n1 ZINC000307399339 352571312 /nfs/dbraw/zinc/57/13/12/352571312.db2.gz WFEHYFFBVKZRGN-DTWKUNHWSA-N 1 0 208.265 0.054 10 0 BCAERO Cn1ncc(CC(=O)[C@H]2CCC[C@@H]2[NH3+])n1 ZINC000307399340 352571577 /nfs/dbraw/zinc/57/15/77/352571577.db2.gz WFEHYFFBVKZRGN-IUCAKERBSA-N 1 0 208.265 0.054 10 0 BCAERO CC[S@](=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000307400200 352572779 /nfs/dbraw/zinc/57/27/79/352572779.db2.gz ZKYMPGHWYOBYSG-YFBYITSOSA-N 1 0 202.323 0.339 10 0 BCAERO [NH3+][C@@H]1CCC[C@H](C(=O)NCc2ccc[nH]c2=O)C1 ZINC000638725916 352580075 /nfs/dbraw/zinc/58/00/75/352580075.db2.gz MIPLQNQJWKSZLM-GXSJLCMTSA-N 1 0 249.314 0.921 10 0 BCAERO CO[C@@H]1CCN(C(=O)[C@H](C)[NH3+])[C@H](C)C1 ZINC000300951862 352580859 /nfs/dbraw/zinc/58/08/59/352580859.db2.gz UIDZGAVSIBQOBZ-HRDYMLBCSA-N 1 0 200.282 0.360 10 0 BCAERO C[C@H]1C[C@H]([NH2+]Cc2nnnn2C)CS1 ZINC000307539061 352643546 /nfs/dbraw/zinc/64/35/46/352643546.db2.gz TVSMQTCEWKGRSS-BQBZGAKWSA-N 1 0 213.310 0.194 10 0 BCAERO C[C@H]1CN(CC2([S@@](C)=O)CC2)CC[NH2+]1 ZINC000307542788 352644448 /nfs/dbraw/zinc/64/44/48/352644448.db2.gz ZZTQVOZJEUBVBB-LKFCYVNXSA-N 1 0 216.350 0.191 10 0 BCAERO C[C@@H](C(N)=S)[N@@H+]1C[C@H](O)C(C)(C)C1 ZINC000307549923 352647216 /nfs/dbraw/zinc/64/72/16/352647216.db2.gz QPDMKANLSZTRNU-BQBZGAKWSA-N 1 0 202.323 0.364 10 0 BCAERO CCNC(=O)C[NH2+]CCOCc1ccccc1 ZINC000307551599 352648890 /nfs/dbraw/zinc/64/88/90/352648890.db2.gz SXLGTUVXRUAFDF-UHFFFAOYSA-N 1 0 236.315 0.929 10 0 BCAERO Cn1cc(C(=O)N2CCCC[C@H]2C[NH3+])cn1 ZINC000044542085 352654598 /nfs/dbraw/zinc/65/45/98/352654598.db2.gz LAKKQZFTEPPECW-JTQLQIEISA-N 1 0 222.292 0.374 10 0 BCAERO CC(C)[S@](=O)N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000307569091 352657842 /nfs/dbraw/zinc/65/78/42/352657842.db2.gz WXRMZJUFBJQWSI-KKFJDGPESA-N 1 0 202.323 0.210 10 0 BCAERO C[C@@H]1CC[C@H]1[NH2+][C@@H]1CCS(=O)(=O)C1 ZINC000307573192 352658242 /nfs/dbraw/zinc/65/82/42/352658242.db2.gz DTMPZFGNAMRITN-IWSPIJDZSA-N 1 0 203.307 0.562 10 0 BCAERO C[C@H]1[N@H+](Cc2ccccc2)CC[C@@]1(N)C(N)=O ZINC000307575834 352658967 /nfs/dbraw/zinc/65/89/67/352658967.db2.gz JMNDXBPGFVFBFK-MFKMUULPSA-N 1 0 233.315 0.464 10 0 BCAERO C[C@H]1CSCC[N@H+](CC2C[NH2+]C2)C1 ZINC000307590816 352661957 /nfs/dbraw/zinc/66/19/57/352661957.db2.gz CSILEAKXMDETNO-SECBINFHSA-N 1 0 200.351 0.891 10 0 BCAERO [NH3+][C@@H]1CN(Cc2coc(Br)c2)C1=O ZINC000307598285 352665860 /nfs/dbraw/zinc/66/58/60/352665860.db2.gz OSBMXMWSKNZWDI-ZCFIWIBFSA-N 1 0 245.076 0.712 10 0 BCAERO Cc1ccncc1[C@H]1C[NH2+]C[C@@H]1C(N)=O ZINC000229234362 352666399 /nfs/dbraw/zinc/66/63/99/352666399.db2.gz JWJWUKVBMDWXGW-ZJUUUORDSA-N 1 0 205.261 0.178 10 0 BCAERO Cc1ccncc1[C@@H]1C[NH2+]C[C@H]1C(N)=O ZINC000229234370 352666693 /nfs/dbraw/zinc/66/66/93/352666693.db2.gz JWJWUKVBMDWXGW-VHSXEESVSA-N 1 0 205.261 0.178 10 0 BCAERO Cn1cc(C(=O)C[C@H]2CSCC[NH2+]2)nn1 ZINC000307498770 352627020 /nfs/dbraw/zinc/62/70/20/352627020.db2.gz PYTJORBIEBHSSB-ZETCQYMHSA-N 1 0 226.305 0.093 10 0 BCAERO COC[C@@H](CO)[NH2+]CCOCc1ccccc1 ZINC000307508294 352627537 /nfs/dbraw/zinc/62/75/37/352627537.db2.gz RTQLCRNKJFQIDH-CYBMUJFWSA-N 1 0 239.315 0.800 10 0 BCAERO Cn1cnc(C(=O)N[C@H]2CCCC[C@H]2[NH3+])c1 ZINC000236103161 180766768 /nfs/dbraw/zinc/76/67/68/180766768.db2.gz ZJNMSPFWOFMIAX-BDAKNGLRSA-N 1 0 222.292 0.420 10 0 BCAERO C[C@H]1C[NH2+]CC[C@H]1C(=O)c1cn(C)cn1 ZINC000307526432 352635099 /nfs/dbraw/zinc/63/50/99/352635099.db2.gz IXXJBZJYWTZACT-DTWKUNHWSA-N 1 0 207.277 0.848 10 0 BCAERO COC[C@H]([NH3+])C(=O)N1C[C@@H]2CCCC[C@@]21C ZINC000638757279 352688200 /nfs/dbraw/zinc/68/82/00/352688200.db2.gz JKROLVSEHZKVDI-NHCYSSNCSA-N 1 0 226.320 0.751 10 0 BCAERO COC[C@H]([NH3+])C(=O)Nc1cc(C)cc(O)c1 ZINC000638756305 352690276 /nfs/dbraw/zinc/69/02/76/352690276.db2.gz GUHXWIFQWVRCFC-JTQLQIEISA-N 1 0 224.260 0.613 10 0 BCAERO [NH3+][C@@H](C1=COCC1)[C@@H]1CSCCO1 ZINC000307616053 352674144 /nfs/dbraw/zinc/67/41/44/352674144.db2.gz RPDITLKKOAKRQT-IUCAKERBSA-N 1 0 201.291 0.750 10 0 BCAERO [NH3+][C@H](C1=COCC1)[C@H]1CSCCO1 ZINC000307616055 352674152 /nfs/dbraw/zinc/67/41/52/352674152.db2.gz RPDITLKKOAKRQT-RKDXNWHRSA-N 1 0 201.291 0.750 10 0 BCAERO C[NH+](C)C[C@@H]1COC[C@H]1N1CCC(O)CC1 ZINC000725273898 538104934 /nfs/dbraw/zinc/10/49/34/538104934.db2.gz RAWZMNYEDQSYST-ZYHUDNBSSA-N 1 0 228.336 0.020 10 0 BCAERO CN(C)C(=O)[C@@H]1CC[N@@H+]([C@@H]2CCCC[C@@H]2O)C1 ZINC000411945970 191230324 /nfs/dbraw/zinc/23/03/24/191230324.db2.gz SBVYVGHERHZQNN-UTUOFQBUSA-N 1 0 240.347 0.700 10 0 BCAERO C[C@@H]1[C@]2(CC[C@@H](C[NH3+])O2)CCS1(=O)=O ZINC000307672203 352751328 /nfs/dbraw/zinc/75/13/28/352751328.db2.gz WIXMYCGLWHATLI-VGMNWLOBSA-N 1 0 219.306 0.070 10 0 BCAERO [NH3+][C@@H](c1ccns1)[C@@H]1COCCO1 ZINC000307677524 352755155 /nfs/dbraw/zinc/75/51/55/352755155.db2.gz MAPORPHRQGZUDU-POYBYMJQSA-N 1 0 200.263 0.558 10 0 BCAERO CCOC(=O)CC1([NH3+])CCN(C)CC1 ZINC000114961996 538105352 /nfs/dbraw/zinc/10/53/52/538105352.db2.gz MMLNSQSCIAIYEF-UHFFFAOYSA-N 1 0 200.282 0.363 10 0 BCAERO COC[C@@H]([NH3+])C(=O)NC[C@H]1CCCC12CC2 ZINC000638794794 352861433 /nfs/dbraw/zinc/86/14/33/352861433.db2.gz HJTXHAAQQXZAHN-NXEZZACHSA-N 1 0 226.320 0.657 10 0 BCAERO CO[C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[NH2+][C@H]2C)C1 ZINC000638804078 352978545 /nfs/dbraw/zinc/97/85/45/352978545.db2.gz AZUCTXGTERXFHU-NNYUYHANSA-N 1 0 240.347 0.916 10 0 BCAERO CC(C)(C)[C@H]1CC[C@@H](S(N)(=O)=O)C[NH2+]1 ZINC000232519560 352980320 /nfs/dbraw/zinc/98/03/20/352980320.db2.gz RKMIBSXTNQUIAL-HTQZYQBOSA-N 1 0 220.338 0.442 10 0 BCAERO CO[C@H]1C[C@@H](CNC(=O)[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000638809126 352985921 /nfs/dbraw/zinc/98/59/21/352985921.db2.gz QFLOBBVKAPONJH-CHWFTXMASA-N 1 0 226.320 0.383 10 0 BCAERO COC[C@H]([NH3+])C(=O)N[C@H]1CCCC12CC2 ZINC000638835708 353021744 /nfs/dbraw/zinc/02/17/44/353021744.db2.gz ZSBRHXJPPDMFAV-IUCAKERBSA-N 1 0 212.293 0.409 10 0 BCAERO C[C@H]([NH3+])C(=O)NC[C@]1(O)CCC[C@H]1C ZINC000306227722 352997247 /nfs/dbraw/zinc/99/72/47/352997247.db2.gz DQMQYGUFIUHRIL-KHQFGBGNSA-N 1 0 200.282 0.001 10 0 BCAERO CNC(=O)c1ccc(NCC[NH2+]C2CC2)nn1 ZINC000092209806 538106523 /nfs/dbraw/zinc/10/65/23/538106523.db2.gz LNLXDNNHUCRLOZ-UHFFFAOYSA-N 1 0 235.291 0.000 10 0 BCAERO C[C@@H]1CN(C(=O)c2cncn2C)C[C@@H]1C[NH3+] ZINC000638891363 353059598 /nfs/dbraw/zinc/05/95/98/353059598.db2.gz GTWRWHIFHLPFSZ-BDAKNGLRSA-N 1 0 222.292 0.087 10 0 BCAERO Cc1ncc(C(=O)[C@@H]2CCC[NH2+]C2)n1C ZINC000307195919 353060560 /nfs/dbraw/zinc/06/05/60/353060560.db2.gz NJBATNUSMLUHNU-SECBINFHSA-N 1 0 207.277 0.911 10 0 BCAERO CC1(CN=S2(=O)CCCC2)C[NH2+]C1 ZINC000307205210 353060656 /nfs/dbraw/zinc/06/06/56/353060656.db2.gz GLAFLFUOBVBMEM-UHFFFAOYSA-N 1 0 202.323 0.858 10 0 BCAERO Cn1ncc(C(=O)[C@@H]2CCC[C@H]2C[NH3+])n1 ZINC000307272931 353064825 /nfs/dbraw/zinc/06/48/25/353064825.db2.gz GWLPOKXBASZPOU-JGVFFNPUSA-N 1 0 208.265 0.373 10 0 BCAERO Cc1nnsc1C(=O)N1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000638904189 353064893 /nfs/dbraw/zinc/06/48/93/353064893.db2.gz PNADCYKRUUKQFN-SVRRBLITSA-N 1 0 240.332 0.513 10 0 BCAERO CCOC(=O)[C@@H](C)NC[C@H](O)C[NH+](CC)CC ZINC000049373101 187952059 /nfs/dbraw/zinc/95/20/59/187952059.db2.gz CCIUZMRLKPFQGB-MNOVXSKESA-N 1 0 246.351 0.230 10 0 BCAERO CCC(C)(C)CCNC(=O)[C@H]([NH3+])COC ZINC000638865759 353039976 /nfs/dbraw/zinc/03/99/76/353039976.db2.gz JHJBJSHURLGBHL-SECBINFHSA-N 1 0 216.325 0.903 10 0 BCAERO Cc1cnc(C(=O)N2C[C@H](C)[C@H](C[NH3+])C2)cn1 ZINC000638888886 353050003 /nfs/dbraw/zinc/05/00/03/353050003.db2.gz BCFSTCFXBULFIX-WCBMZHEXSA-N 1 0 234.303 0.452 10 0 BCAERO Cc1c(C(=O)N2C[C@@H](C)[C@@H](C[NH3+])C2)cnn1C ZINC000638888672 353050269 /nfs/dbraw/zinc/05/02/69/353050269.db2.gz OLZRRMLAIIIEQY-SCZZXKLOSA-N 1 0 236.319 0.395 10 0 BCAERO C[C@H]1CN(C(=O)c2ccco2)C[C@H]1C[NH3+] ZINC000638889033 353050335 /nfs/dbraw/zinc/05/03/35/353050335.db2.gz ZRRBPIQQBIMGEY-DTWKUNHWSA-N 1 0 208.261 0.946 10 0 BCAERO C[C@@H](C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1)n1cccn1 ZINC000638883949 353050958 /nfs/dbraw/zinc/05/09/58/353050958.db2.gz CUOFLLHVNLPILX-OUAUKWLOSA-N 1 0 236.319 0.497 10 0 BCAERO C[C@@H]1CN(C(=O)C[C@@H]2CCCO2)C[C@@H]1C[NH3+] ZINC000638884775 353052179 /nfs/dbraw/zinc/05/21/79/353052179.db2.gz JQRRTSUCVJCLKX-VWYCJHECSA-N 1 0 226.320 0.609 10 0 BCAERO C[C@H]1CN(C(=O)Cc2cccnc2)C[C@@H]1C[NH3+] ZINC000638894018 353055402 /nfs/dbraw/zinc/05/54/02/353055402.db2.gz NFRMWSWKSWOAMF-JQWIXIFHSA-N 1 0 233.315 0.677 10 0 BCAERO C[C@H]1CN(C(=O)c2ccccn2)C[C@H]1C[NH3+] ZINC000638896099 353056547 /nfs/dbraw/zinc/05/65/47/353056547.db2.gz WKLXSWKRCPSRGQ-VHSXEESVSA-N 1 0 219.288 0.748 10 0 BCAERO CC(C)OCC(=O)N1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000638897106 353057545 /nfs/dbraw/zinc/05/75/45/353057545.db2.gz ZAELVUIDEFCUPL-ZJUUUORDSA-N 1 0 214.309 0.465 10 0 BCAERO C/C=C/C[C@]1(C[NH3+])CCS(=O)(=O)C1 ZINC000307713954 353107072 /nfs/dbraw/zinc/10/70/72/353107072.db2.gz CVRLZOXVYSFTOV-GKQMSVHHSA-N 1 0 203.307 0.716 10 0 BCAERO C[C@@H]1C[C@@H]([NH2+][C@@H]2COC[C@H]2O)CS1 ZINC000307598859 353086612 /nfs/dbraw/zinc/08/66/12/353086612.db2.gz PYRUQIAQSGVJRG-FNCVBFRFSA-N 1 0 203.307 0.230 10 0 BCAERO O=C([C@@H]1C[C@H]2C[C@H]2C1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638926126 353086731 /nfs/dbraw/zinc/08/67/31/353086731.db2.gz BKCXSOYPRDFWEL-ZGIVBDMPSA-N 1 0 220.316 0.995 10 0 BCAERO CNc1nnc([C@H]([NH3+])CC(F)F)n1C ZINC000307706976 353092390 /nfs/dbraw/zinc/09/23/90/353092390.db2.gz GOZVBQLZCQCZJQ-SCSAIBSYSA-N 1 0 205.212 0.512 10 0 BCAERO CC(C)(C)OC(=O)NC(C)(C)C[C@H](O)C[NH3+] ZINC000307707640 353095472 /nfs/dbraw/zinc/09/54/72/353095472.db2.gz HSDFCOVFRCXPTO-QMMMGPOBSA-N 1 0 232.324 0.999 10 0 BCAERO CC(=[NH2+])NCCCCC[C@@H]([NH3+])C(=O)[O-] ZINC000013739739 187996215 /nfs/dbraw/zinc/99/62/15/187996215.db2.gz CQIZIZXOTXHJNR-MRVPVSSYSA-N 1 0 201.270 0.545 10 0 BCAERO [NH3+]Cc1ccc(Sc2nc[nH]n2)nn1 ZINC000082640629 188007149 /nfs/dbraw/zinc/00/71/49/188007149.db2.gz OIBMRXLFLSFWTF-UHFFFAOYSA-N 1 0 208.250 0.205 10 0 BCAERO C[N@@H+]1CC[C@H](NC(=O)c2csc(N)n2)C1 ZINC000055188904 188008135 /nfs/dbraw/zinc/00/81/35/188008135.db2.gz UALZXJVSAIEUGS-LURJTMIESA-N 1 0 226.305 0.159 10 0 BCAERO [NH3+]Cc1ccccc1CN1CCNC1=O ZINC000059106930 188012340 /nfs/dbraw/zinc/01/23/40/188012340.db2.gz XFBNFXXBMPCARG-UHFFFAOYSA-N 1 0 205.261 0.671 10 0 BCAERO CC(C)N(CC[NH3+])C(=O)[C@H]1CCCOC1 ZINC000062192457 188013399 /nfs/dbraw/zinc/01/33/99/188013399.db2.gz PZCRRJANHSJRGN-JTQLQIEISA-N 1 0 214.309 0.609 10 0 BCAERO CNC(=O)[C@H](C)O[C@H]1CCC[C@@H]([NH3+])C1 ZINC000223069978 353130672 /nfs/dbraw/zinc/13/06/72/353130672.db2.gz MOJLOVAUXNHMKE-YIZRAAEISA-N 1 0 200.282 0.407 10 0 BCAERO CC(C)(O)C[NH2+]C1COC(C)(C)OC1 ZINC000232583176 353138094 /nfs/dbraw/zinc/13/80/94/353138094.db2.gz UMIMHQJXXMUKBW-UHFFFAOYSA-N 1 0 203.282 0.498 10 0 BCAERO CC(C)=CC[NH+]1CCC([C@@H](O)C(N)=O)CC1 ZINC000299746713 188042552 /nfs/dbraw/zinc/04/25/52/188042552.db2.gz ZICMONDAHLHXBF-LLVKDONJSA-N 1 0 226.320 0.511 10 0 BCAERO CC(C)C[C@@H]1CS(=O)(=O)CC[C@@H]1[NH3+] ZINC000082379283 188004134 /nfs/dbraw/zinc/00/41/34/188004134.db2.gz SALDPCOGFKLXJI-BDAKNGLRSA-N 1 0 205.323 0.795 10 0 BCAERO O=C(N[C@@]12C[C@@H]1CCCC2)[C@@H]1C[NH2+]CCOC1 ZINC000638974911 353180567 /nfs/dbraw/zinc/18/05/67/353180567.db2.gz VTSRMZGSSXZZPK-MDZLAQPJSA-N 1 0 238.331 0.671 10 0 BCAERO c1ncn(CC[NH2+]C[C@@H]2CCC=CO2)n1 ZINC000278566765 188267304 /nfs/dbraw/zinc/26/73/04/188267304.db2.gz BZSBPIKJOQXBRZ-JTQLQIEISA-N 1 0 208.265 0.560 10 0 BCAERO Cc1nn(C)cc1C[NH2+][C@@H]1CCC(=O)N[C@@H]1C ZINC000282222158 188268628 /nfs/dbraw/zinc/26/86/28/188268628.db2.gz DYOFCMFJNXERAK-MWLCHTKSSA-N 1 0 236.319 0.485 10 0 BCAERO COC(=O)CCCC(=O)N1CC[NH2+]C[C@@H]1C ZINC000067799727 188276031 /nfs/dbraw/zinc/27/60/31/188276031.db2.gz KDKVGRTWXPYRGW-VIFPVBQESA-N 1 0 228.292 0.150 10 0 BCAERO CC(C)[C@H](C)N(C)C(=O)N1CC[NH2+]CC1 ZINC000036787036 188278830 /nfs/dbraw/zinc/27/88/30/188278830.db2.gz WSRSNRZNPHGCIQ-JTQLQIEISA-N 1 0 213.325 0.988 10 0 BCAERO C(CN1CCOCC1)[NH2+]C[C@H]1CCCO1 ZINC000020053542 188282249 /nfs/dbraw/zinc/28/22/49/188282249.db2.gz JDDWBVZEHLVHSK-LLVKDONJSA-N 1 0 214.309 0.087 10 0 BCAERO CC(C)[C@H](C)[NH2+]Cc1cn(C)c(=O)n(C)c1=O ZINC000020522635 188282334 /nfs/dbraw/zinc/28/23/34/188282334.db2.gz HZAFKYKHZLLAEU-VIFPVBQESA-N 1 0 239.319 0.218 10 0 BCAERO COC[C@H]([NH3+])C(=O)NC1C[C@@H](C)C[C@H](C)C1 ZINC000252198236 353297106 /nfs/dbraw/zinc/29/71/06/353297106.db2.gz VVJFOUZZFNLAEB-QXEWZRGKSA-N 1 0 228.336 0.901 10 0 BCAERO C[C@@H]([NH2+][C@@H](C)c1cccs1)C(=O)NC(N)=O ZINC000035138589 188285482 /nfs/dbraw/zinc/28/54/82/188285482.db2.gz QGGWBRUYZIDELV-NKWVEPMBSA-N 1 0 241.316 0.982 10 0 BCAERO Cc1n[nH]c(C)c1C(=O)N(C)[C@H]1CCC[NH2+]C1 ZINC000037540853 188287262 /nfs/dbraw/zinc/28/72/62/188287262.db2.gz IUHRXMNKSASPHX-JTQLQIEISA-N 1 0 236.319 0.851 10 0 BCAERO Cc1n[nH]c(C)c1C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000037841503 188288601 /nfs/dbraw/zinc/28/86/01/188288601.db2.gz WHHNPKRXGQWNJL-LLVKDONJSA-N 1 0 248.330 0.947 10 0 BCAERO COc1ccc(C[NH2+][C@H]2COC[C@H]2O)cc1 ZINC000037876785 188289110 /nfs/dbraw/zinc/28/91/10/188289110.db2.gz JQEDYYCHIYJNCI-NWDGAFQWSA-N 1 0 223.272 0.545 10 0 BCAERO O=C([O-])[C@]1([N@@H+]2CCC[NH2+]CC2)CCSC1 ZINC000037958904 188289675 /nfs/dbraw/zinc/28/96/75/188289675.db2.gz JFUOYPJRNSXVBR-JTQLQIEISA-N 1 0 230.333 0.242 10 0 BCAERO CC(C)N(CC(N)=O)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000042438632 188294165 /nfs/dbraw/zinc/29/41/65/188294165.db2.gz MGYKEVQVTIYOKN-WDEREUQCSA-N 1 0 227.352 0.842 10 0 BCAERO CC(C)C[C@H]([NH3+])C(=O)N1CCOCC1(C)C ZINC000042462987 188294283 /nfs/dbraw/zinc/29/42/83/188294283.db2.gz WVIPMZHEQAPTEB-JTQLQIEISA-N 1 0 228.336 0.997 10 0 BCAERO C[C@H]([NH3+])Cc1csc(-c2nc[nH]n2)n1 ZINC000165317935 353301914 /nfs/dbraw/zinc/30/19/14/353301914.db2.gz VOCXHUKOWZTXML-YFKPBYRVSA-N 1 0 209.278 0.818 10 0 BCAERO CC(C)C[C@H](CN(C)C)[NH2+]Cc1cnnn1C ZINC000121996576 188297345 /nfs/dbraw/zinc/29/73/45/188297345.db2.gz FJTXQBMUWGEMFD-LLVKDONJSA-N 1 0 239.367 0.881 10 0 BCAERO CC(C)NC(=O)[C@H](C)[NH2+][C@@H]1CCN2CCC[C@H]12 ZINC000049568046 188298994 /nfs/dbraw/zinc/29/89/94/188298994.db2.gz UPTIBYNKRLKGNY-QJPTWQEYSA-N 1 0 239.363 0.726 10 0 BCAERO CC(=O)NCCNC(=O)[C@@H]1[C@@H](C)CCC[C@@H]1[NH3+] ZINC000055127488 188300646 /nfs/dbraw/zinc/30/06/46/188300646.db2.gz QOAIZEPSSIQEFQ-INTQDDNPSA-N 1 0 241.335 0.002 10 0 BCAERO CCOC(=O)C(=O)N1CC[NH+](CC(C)C)CC1 ZINC000055084802 188300660 /nfs/dbraw/zinc/30/06/60/188300660.db2.gz PWSNHHOJPUIBIA-UHFFFAOYSA-N 1 0 242.319 0.350 10 0 BCAERO C[C@H]1CN[C@H](C(=O)NC2(C)CCCCC2)C[NH2+]1 ZINC000062815337 188303446 /nfs/dbraw/zinc/30/34/46/188303446.db2.gz OALWWWRKLRIEHZ-QWRGUYRKSA-N 1 0 239.363 0.775 10 0 BCAERO CC(C)[C@H]([NH3+])CN1CC[C@H](N2CCOCC2)C1 ZINC000104185647 188323401 /nfs/dbraw/zinc/32/34/01/188323401.db2.gz RKAZIHVHCBCHOS-QWHCGFSZSA-N 1 0 241.379 0.376 10 0 BCAERO Cn1nncc1C(=O)C1(C)CC[NH2+]CC1 ZINC000129171356 353314617 /nfs/dbraw/zinc/31/46/17/353314617.db2.gz HIHAHIZGRMBFKF-UHFFFAOYSA-N 1 0 208.265 0.388 10 0 BCAERO Cn1nncc1C(=O)CC1([NH3+])CCCC1 ZINC000129187168 353314729 /nfs/dbraw/zinc/31/47/29/353314729.db2.gz WFTPBWOESKCJOB-UHFFFAOYSA-N 1 0 208.265 0.659 10 0 BCAERO CC(C)(C)[C@@H]([NH3+])C(=O)NC[C@@H]1CCCOC1 ZINC000077558900 188311953 /nfs/dbraw/zinc/31/19/53/188311953.db2.gz HUKLVEYHOUEJTH-UWVGGRQHSA-N 1 0 228.336 0.903 10 0 BCAERO C1CN([C@H]2CCOC3(CCOCC3)C2)CC[NH2+]1 ZINC000082327467 188312609 /nfs/dbraw/zinc/31/26/09/188312609.db2.gz IMBLTWDKNQWNPO-LBPRGKRZSA-N 1 0 240.347 0.620 10 0 BCAERO [NH3+][C@]1([C@H]2CCSC2)CCS(=O)(=O)C1 ZINC000405383807 353319922 /nfs/dbraw/zinc/31/99/22/353319922.db2.gz KEMVJWBRTVTDJO-JGVFFNPUSA-N 1 0 221.347 0.256 10 0 BCAERO CC(C)[C@H]([NH3+])C(=O)NC[C@@H]1CCOC1 ZINC000037739074 188326108 /nfs/dbraw/zinc/32/61/08/188326108.db2.gz QILMEZBATVSISJ-IUCAKERBSA-N 1 0 200.282 0.122 10 0 BCAERO Cn1ccc(C(=O)CN2CCC([NH3+])CC2)c1 ZINC000050158339 188328153 /nfs/dbraw/zinc/32/81/53/188328153.db2.gz LOHNTVIBRIQDKJ-UHFFFAOYSA-N 1 0 221.304 0.631 10 0 BCAERO C(N[C@@H]1CC[NH2+]C1)[C@H]1CSCCS1 ZINC000229584909 188335089 /nfs/dbraw/zinc/33/50/89/188335089.db2.gz ODZBWKJLJYSLPT-BDAKNGLRSA-N 1 0 218.391 0.787 10 0 BCAERO CC(C)N1C(=O)C[C@H](SCC[NH3+])C1=O ZINC000102671521 188335333 /nfs/dbraw/zinc/33/53/33/188335333.db2.gz JXJCQOGMOCPUKT-ZETCQYMHSA-N 1 0 216.306 0.214 10 0 BCAERO CC1(C)N=C(C(=O)c2ccccc2)N(O)[C@@]1(C)N ZINC000215941993 188356008 /nfs/dbraw/zinc/35/60/08/188356008.db2.gz BOOWUNAIPILINO-CYBMUJFWSA-N 1 0 247.298 0.835 10 0 BCAERO CCn1ncnc1C[NH2+][C@H]1CCCC[C@H]1CO ZINC000226389931 538116027 /nfs/dbraw/zinc/11/60/27/538116027.db2.gz WPHGTJGHGZPQKS-QWRGUYRKSA-N 1 0 238.335 0.939 10 0 BCAERO c1nc2n(n1)C[C@H]([NH2+]C[C@@H]1CCC=CO1)CC2 ZINC000194396785 188353374 /nfs/dbraw/zinc/35/33/74/188353374.db2.gz SWXXOOCPAWFSFK-MNOVXSKESA-N 1 0 234.303 0.875 10 0 BCAERO N#Cc1cnccc1NC[C@@H]1CC[NH2+]C1 ZINC000399017234 353588553 /nfs/dbraw/zinc/58/85/53/353588553.db2.gz CTKYJRKFHYAZHZ-SECBINFHSA-N 1 0 202.261 0.397 10 0 BCAERO Cc1noc(CN(C)[C@H]2CCC[NH2+]CC2)n1 ZINC000231669562 353642598 /nfs/dbraw/zinc/64/25/98/353642598.db2.gz BGCJNYPRVDWENP-JTQLQIEISA-N 1 0 224.308 0.952 10 0 BCAERO Cc1cnc(C(=O)N(C)[C@H]2CCC[NH2+]CC2)cn1 ZINC000231474884 353606267 /nfs/dbraw/zinc/60/62/67/353606267.db2.gz LJSVIQLQTASRQJ-NSHDSACASA-N 1 0 248.330 0.999 10 0 BCAERO NC(=O)c1ccc([C@@H]2C[NH2+]CCOC2)cc1 ZINC000223279116 353617153 /nfs/dbraw/zinc/61/71/53/353617153.db2.gz RXTVDMPKFOCKPP-LLVKDONJSA-N 1 0 220.272 0.489 10 0 BCAERO C[C@H]1C[N@@H+]([C@@H]2CCNC2=O)CCS1 ZINC000178198169 366105161 /nfs/dbraw/zinc/10/51/61/366105161.db2.gz HUSXZDMRCPODSC-JGVFFNPUSA-N 1 0 200.307 0.312 10 0 BCAERO CN(CC(F)(F)F)[C@@H]1COCC[C@H]1[NH3+] ZINC000252438428 363248854 /nfs/dbraw/zinc/24/88/54/363248854.db2.gz BHBWSRSVMMERAR-RNFRBKRXSA-N 1 0 212.215 0.597 10 0 BCAERO CN(CC(F)(F)F)[C@H]1COCC[C@H]1[NH3+] ZINC000252438429 363248905 /nfs/dbraw/zinc/24/89/05/363248905.db2.gz BHBWSRSVMMERAR-RQJHMYQMSA-N 1 0 212.215 0.597 10 0 BCAERO CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H](C)C(C)C ZINC000020309728 353858438 /nfs/dbraw/zinc/85/84/38/353858438.db2.gz HMRLPMZARMUQTP-BDAKNGLRSA-N 1 0 229.324 0.855 10 0 BCAERO O=C1NCC[C@H]1[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000309585024 491057198 /nfs/dbraw/zinc/05/71/98/491057198.db2.gz RVXUVFATQWPEQK-VHSXEESVSA-N 1 0 224.304 0.566 10 0 BCAERO CC1(C)[C@H]([NH3+])[C@@]12CCC[C@@H]2S(C)(=O)=O ZINC000301010761 363294365 /nfs/dbraw/zinc/29/43/65/363294365.db2.gz OEMYIUWKQSHMOH-NRPADANISA-N 1 0 217.334 0.937 10 0 BCAERO O[C@]1(COc2cccc(F)c2)CC[NH2+]C1 ZINC000230458835 363312761 /nfs/dbraw/zinc/31/27/61/363312761.db2.gz ZJYFYPJSYSJBPN-LLVKDONJSA-N 1 0 211.236 0.929 10 0 BCAERO C[C@H]([NH3+])CNC(=O)[C@@H]1CCC(F)(F)C1 ZINC000301037932 363358447 /nfs/dbraw/zinc/35/84/47/363358447.db2.gz XWNJZFCEORBHBW-NKWVEPMBSA-N 1 0 206.236 0.885 10 0 BCAERO Cn1c(Cl)cnc1[C@H]1OCC[C@H]1[NH3+] ZINC000301040731 363368679 /nfs/dbraw/zinc/36/86/79/363368679.db2.gz WEMOLFPUJWSYQF-VDTYLAMSSA-N 1 0 201.657 0.862 10 0 BCAERO CCCC(=[NH2+])N1CCCS(=O)(=O)CC1 ZINC000232912501 354356750 /nfs/dbraw/zinc/35/67/50/354356750.db2.gz OXFMHHRUXRWQRH-UHFFFAOYSA-N 1 0 218.322 0.884 10 0 BCAERO C[NH2+][C@H](C)C(=O)N(C)CCOCC1CC1 ZINC000087399602 366158947 /nfs/dbraw/zinc/15/89/47/366158947.db2.gz UVBUETJPGQDGGF-SECBINFHSA-N 1 0 214.309 0.479 10 0 BCAERO CO[C@@H]1C[C@H](CO)[N@H+](CCCOC(C)C)C1 ZINC000344746927 354348988 /nfs/dbraw/zinc/34/89/88/354348988.db2.gz UOIJEOULNJMXSJ-VXGBXAGGSA-N 1 0 231.336 0.883 10 0 BCAERO CO[C@H]1C[C@@H](CO)[N@H+](CCCOC(C)C)C1 ZINC000344746926 354349150 /nfs/dbraw/zinc/34/91/50/354349150.db2.gz UOIJEOULNJMXSJ-RYUDHWBXSA-N 1 0 231.336 0.883 10 0 BCAERO CCOC(=O)COCC[NH2+][C@H]1CCO[C@H]1C ZINC000233683674 363406386 /nfs/dbraw/zinc/40/63/86/363406386.db2.gz ZKDAXAIBCRDCQH-UWVGGRQHSA-N 1 0 231.292 0.333 10 0 BCAERO CCOC[C@@H](N[C@@H]1CC[NH2+]C1)C(C)C ZINC000233750965 363407634 /nfs/dbraw/zinc/40/76/34/363407634.db2.gz NRDXDGWEGLPNNV-GHMZBOCLSA-N 1 0 200.326 0.999 10 0 BCAERO c1cn2cc(COC3C[NH2+]C3)nc2s1 ZINC000130596756 363433257 /nfs/dbraw/zinc/43/32/57/363433257.db2.gz SIIIDTLWBVUVAU-UHFFFAOYSA-N 1 0 209.274 0.884 10 0 BCAERO OC1(Cc2cn3ccsc3n2)C[NH2+]C1 ZINC000130597463 363433479 /nfs/dbraw/zinc/43/34/79/363433479.db2.gz QMPLIENZABXGGD-UHFFFAOYSA-N 1 0 209.274 0.273 10 0 BCAERO COCCOC[C@@H](O)C[NH2+]C1(C(C)C)CC1 ZINC000379445402 358494971 /nfs/dbraw/zinc/49/49/71/358494971.db2.gz DFRXKLUYHGACAN-NSHDSACASA-N 1 0 231.336 0.789 10 0 BCAERO COCCOC[C@H](O)C[NH2+]C1(C(C)C)CC1 ZINC000379445389 358494983 /nfs/dbraw/zinc/49/49/83/358494983.db2.gz DFRXKLUYHGACAN-LLVKDONJSA-N 1 0 231.336 0.789 10 0 BCAERO [NH3+]C[C@H]([C@H]1CCSC1)N1CCOCC1 ZINC000215875138 355377607 /nfs/dbraw/zinc/37/76/07/355377607.db2.gz QBFHPLIXSRFREU-VHSXEESVSA-N 1 0 216.350 0.399 10 0 BCAERO NC(=[NH2+])NCc1ccc2cccc(O)c2n1 ZINC000090584621 181191746 /nfs/dbraw/zinc/19/17/46/181191746.db2.gz ZWLPCVWAMBEYRW-UHFFFAOYSA-N 1 0 216.244 0.923 10 0 BCAERO NC(=[NH2+])c1ccc(OC[C@@H]2CCCO2)nc1 ZINC000019508615 181195076 /nfs/dbraw/zinc/19/50/76/181195076.db2.gz WLPLRCBIJVEEKQ-VIFPVBQESA-N 1 0 221.260 0.923 10 0 BCAERO NC(=[NH2+])c1ccc(SC[C@@H](O)CO)cc1 ZINC000062566053 181195098 /nfs/dbraw/zinc/19/50/98/181195098.db2.gz MKHALBMREWOENC-QMMMGPOBSA-N 1 0 226.301 0.416 10 0 BCAERO NC(=[NH2+])c1cccc(Cn2cncn2)c1 ZINC000019504492 181196015 /nfs/dbraw/zinc/19/60/15/181196015.db2.gz JGHVRNFJINQUBM-UHFFFAOYSA-N 1 0 201.233 0.610 10 0 BCAERO NC(=[NH2+])c1nccnc1-n1nnc2ccccc21 ZINC000054380301 181197645 /nfs/dbraw/zinc/19/76/45/181197645.db2.gz SHWDSECSSPNFIT-UHFFFAOYSA-N 1 0 239.242 0.495 10 0 BCAERO [NH2+]=C(NO)c1ccccc1CN1CCOCC1 ZINC000019426155 181199463 /nfs/dbraw/zinc/19/94/63/181199463.db2.gz PNJUZVODFZSCPL-UHFFFAOYSA-N 1 0 235.287 0.823 10 0 BCAERO CC(C)n1nnnc1CN1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000583565450 355647538 /nfs/dbraw/zinc/64/75/38/355647538.db2.gz SZGOKSFZNHEKLJ-VHSXEESVSA-N 1 0 238.339 0.423 10 0 BCAERO C[C@@H]1C[C@H](C[N@@H+]2C[C@@H](O)C[C@@H]2CO)CCO1 ZINC000350317547 355672745 /nfs/dbraw/zinc/67/27/45/355672745.db2.gz LYERXDRWIQLGCC-KKOKHZNYSA-N 1 0 229.320 0.229 10 0 BCAERO CS[C@H]1CC[C@H]1[NH2+]CCn1cncn1 ZINC000425358035 191822718 /nfs/dbraw/zinc/82/27/18/191822718.db2.gz QOZRKVKCVFRTAP-BDAKNGLRSA-N 1 0 212.322 0.762 10 0 BCAERO Cc1cc(C[NH2+][C@H]2CCOC[C@H]2O)sn1 ZINC000639353657 355803134 /nfs/dbraw/zinc/80/31/34/355803134.db2.gz ABHRHICHKBPCTP-VHSXEESVSA-N 1 0 228.317 0.691 10 0 BCAERO COc1ncc(C[NH2+][C@H]2CCOC[C@H]2O)s1 ZINC000639354492 355805087 /nfs/dbraw/zinc/80/50/87/355805087.db2.gz IBGLPEFGIYWYTL-DTWKUNHWSA-N 1 0 244.316 0.391 10 0 BCAERO NC(=O)C1(N2CCC[NH2+]CC2)CCCCC1 ZINC000037943749 181214031 /nfs/dbraw/zinc/21/40/31/181214031.db2.gz YWBRQBHRBYGXOT-UHFFFAOYSA-N 1 0 225.336 0.470 10 0 BCAERO NC(=O)C1CCC([NH2+]C[C@H]2CCCO2)CC1 ZINC000038092045 181216304 /nfs/dbraw/zinc/21/63/04/181216304.db2.gz XLTCMYSAPQKKFY-VQXHTEKXSA-N 1 0 226.320 0.799 10 0 BCAERO NC(=O)C1(NC2CCCC2)CC[NH2+]CC1 ZINC000040695232 181214701 /nfs/dbraw/zinc/21/47/01/181214701.db2.gz NJRAGKWVSFWTFD-UHFFFAOYSA-N 1 0 211.309 0.126 10 0 BCAERO NC(=O)C1CCC([NH2+][C@H]2CCC[C@H]2O)CC1 ZINC000038091873 181216028 /nfs/dbraw/zinc/21/60/28/181216028.db2.gz VGCVZJUFSOHEQR-WFBLGPOFSA-N 1 0 226.320 0.534 10 0 BCAERO NC(=O)CC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000042438587 181220287 /nfs/dbraw/zinc/22/02/87/181220287.db2.gz YMTYJSXCTVNHLH-NWDGAFQWSA-N 1 0 240.347 0.877 10 0 BCAERO CN(C(=O)[C@@H]1CC[C@@H]([NH3+])C1)C1CCOCC1 ZINC000085010785 355911375 /nfs/dbraw/zinc/91/13/75/355911375.db2.gz RZVLRPNXWUARRU-NXEZZACHSA-N 1 0 226.320 0.751 10 0 BCAERO NC(=O)CC1CCN([C@@H]2CCC[C@H]2[NH3+])CC1 ZINC000042438603 181219598 /nfs/dbraw/zinc/21/95/98/181219598.db2.gz HNYKTPQVPFQBSZ-GHMZBOCLSA-N 1 0 225.336 0.454 10 0 BCAERO NC(=O)CC1CCN([C@H]2CCC[C@@H]2[NH3+])CC1 ZINC000042438604 181219674 /nfs/dbraw/zinc/21/96/74/181219674.db2.gz HNYKTPQVPFQBSZ-QWRGUYRKSA-N 1 0 225.336 0.454 10 0 BCAERO COc1c(C[NH2+][C@@H](C)C[C@@H](C)O)c(C)nn1C ZINC000167408973 355991818 /nfs/dbraw/zinc/99/18/18/355991818.db2.gz VMVJJZYEPJDEFF-DTWKUNHWSA-N 1 0 241.335 0.986 10 0 BCAERO COc1c(C[NH2+][C@H](C)C[C@H](C)O)c(C)nn1C ZINC000167409310 355991852 /nfs/dbraw/zinc/99/18/52/355991852.db2.gz VMVJJZYEPJDEFF-BDAKNGLRSA-N 1 0 241.335 0.986 10 0 BCAERO NC(=O)CC1CCN([C@H]2CCCC[C@H]2[NH3+])CC1 ZINC000042438606 181220752 /nfs/dbraw/zinc/22/07/52/181220752.db2.gz NSRVSEUKXSBQSG-NEPJUHHUSA-N 1 0 239.363 0.844 10 0 BCAERO NC(=O)CC[NH2+]CC(=O)Nc1cccc(F)c1 ZINC000036747330 181225453 /nfs/dbraw/zinc/22/54/53/181225453.db2.gz CUZIWXREZRXFMR-UHFFFAOYSA-N 1 0 239.250 0.229 10 0 BCAERO NC(=O)CC[C@H]([NH3+])c1ccc2c(c1)CCO2 ZINC000037483853 181227523 /nfs/dbraw/zinc/22/75/23/181227523.db2.gz NTVGLOGAKUIENQ-JTQLQIEISA-N 1 0 220.272 0.887 10 0 BCAERO NC(=O)CN(C1CCCC1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000042438622 181229826 /nfs/dbraw/zinc/22/98/26/181229826.db2.gz SYXOYWBDRNHCEC-NWDGAFQWSA-N 1 0 239.363 0.986 10 0 BCAERO NC(=O)CN(Cc1ccco1)C1CC[NH2+]CC1 ZINC000037542872 181229955 /nfs/dbraw/zinc/22/99/55/181229955.db2.gz HYISTVCADZODRZ-UHFFFAOYSA-N 1 0 237.303 0.319 10 0 BCAERO NC(=O)N1CCC([NH2+]C[C@H]2CCCOC2)CC1 ZINC000038045060 181250152 /nfs/dbraw/zinc/25/01/52/181250152.db2.gz LVWAAJLRZSLWMK-SNVBAGLBSA-N 1 0 241.335 0.546 10 0 BCAERO NC(=O)N1CCC([NH2+][C@H]2CCCC[C@H]2O)CC1 ZINC000052000513 181250159 /nfs/dbraw/zinc/25/01/59/181250159.db2.gz PYEXWPDVWIVHCV-WDEREUQCSA-N 1 0 241.335 0.423 10 0 BCAERO NC(=O)C[C@@H]([NH3+])c1cc(F)ccc1F ZINC000037228295 181241203 /nfs/dbraw/zinc/24/12/03/181241203.db2.gz UPVLRWFFZJNJDP-MRVPVSSYSA-N 1 0 200.188 0.840 10 0 BCAERO NC(=O)N1CCC([NH2+]CC2CCC2)CC1 ZINC000037253833 181250819 /nfs/dbraw/zinc/25/08/19/181250819.db2.gz ISMFKHBXSGIFNW-UHFFFAOYSA-N 1 0 211.309 0.919 10 0 BCAERO NC(=O)C[C@H]([NH3+])c1ccc(F)cc1F ZINC000020578103 181245219 /nfs/dbraw/zinc/24/52/19/181245219.db2.gz FDSKOLMQKFEVIR-QMMMGPOBSA-N 1 0 200.188 0.840 10 0 BCAERO NC(=O)NC(=O)C[NH2+]CCc1ccccc1F ZINC000020047634 181254622 /nfs/dbraw/zinc/25/46/22/181254622.db2.gz HXRBVRYBUQQQSA-UHFFFAOYSA-N 1 0 239.250 0.153 10 0 BCAERO NC(=O)[C@@H]([NH3+])c1ccc2c(c1)OCCCO2 ZINC000037870897 181265270 /nfs/dbraw/zinc/26/52/70/181265270.db2.gz LWDSUTUPGAOCTG-JTQLQIEISA-N 1 0 222.244 0.333 10 0 BCAERO NC(=O)[C@@H]([NH2+]CC1CC1)c1cccc(O)c1 ZINC000038000918 181264584 /nfs/dbraw/zinc/26/45/84/181264584.db2.gz LAWSUOREHPJOEK-NSHDSACASA-N 1 0 220.272 0.918 10 0 BCAERO NC(=O)[C@@H]([NH3+])CCn1ncc2ccccc21 ZINC000062537874 181264655 /nfs/dbraw/zinc/26/46/55/181264655.db2.gz HAHWSGREPDUJHT-VIFPVBQESA-N 1 0 218.260 0.239 10 0 BCAERO NC(=O)[C@@H]([NH2+]C1CCCC1)[C@@H]1CCOC1 ZINC000037968800 181264859 /nfs/dbraw/zinc/26/48/59/181264859.db2.gz YCMFONFEJNKTMS-SCZZXKLOSA-N 1 0 212.293 0.409 10 0 BCAERO NC(=O)[C@@H]([NH3+])c1ccc(O)c(Cl)c1 ZINC000043489132 181265019 /nfs/dbraw/zinc/26/50/19/181265019.db2.gz XVPZXLPTQITHDG-ZETCQYMHSA-N 1 0 200.625 0.531 10 0 BCAERO NC(=O)[C@@H](O)[C@@H]([NH3+])CC1CCCCC1 ZINC000034304246 181265823 /nfs/dbraw/zinc/26/58/23/181265823.db2.gz YUQDGODESZLSPH-IUCAKERBSA-N 1 0 200.282 0.130 10 0 BCAERO CC(C)n1nnnc1CN1C[C@H](C)[NH2+]C[C@@H]1C ZINC000420408843 192238852 /nfs/dbraw/zinc/23/88/52/192238852.db2.gz WJBBZARAFINMDQ-UWVGGRQHSA-N 1 0 238.339 0.436 10 0 BCAERO NC(=O)[C@@]1([NH3+])CCSc2ccccc21 ZINC000037870576 181275398 /nfs/dbraw/zinc/27/53/98/181275398.db2.gz WKTAJTRHGDTMRJ-SNVBAGLBSA-N 1 0 208.286 0.822 10 0 BCAERO CS[C@@H](C)C(=O)N[C@@H]1CC[N@H+](C)C1 ZINC000053295895 356403154 /nfs/dbraw/zinc/40/31/54/356403154.db2.gz NFDZWXLAMIBXTK-JGVFFNPUSA-N 1 0 202.323 0.558 10 0 BCAERO Cc1nccn1CCCN1C[C@H]([NH3+])[C@@H](C)C1 ZINC000420378376 192233257 /nfs/dbraw/zinc/23/32/57/192233257.db2.gz QKOZWEIRPUFKBU-JQWIXIFHSA-N 1 0 222.336 0.861 10 0 BCAERO [NH3+]C[C@@H]1COCCN1Cc1cccs1 ZINC000129726403 356457363 /nfs/dbraw/zinc/45/73/63/356457363.db2.gz ULFSYQFAGYLHPX-SECBINFHSA-N 1 0 212.318 0.908 10 0 BCAERO NC(=O)[C@@]1([NH2+]C2CC2)CCCSC1 ZINC000061590445 181275998 /nfs/dbraw/zinc/27/59/98/181275998.db2.gz XNAUCEQFVZJFBZ-SECBINFHSA-N 1 0 200.307 0.490 10 0 BCAERO NC(=O)[C@H]([NH3+])CCOCCOc1ccccc1 ZINC000062544053 181276705 /nfs/dbraw/zinc/27/67/05/181276705.db2.gz ODLIBTZBDXGRFR-LLVKDONJSA-N 1 0 238.287 0.285 10 0 BCAERO NC(=O)[C@]1(N2CCC[NH2+]CC2)CCCSC1 ZINC000061590414 181284892 /nfs/dbraw/zinc/28/48/92/181284892.db2.gz FONIPOZHMDMPFJ-NSHDSACASA-N 1 0 243.376 0.033 10 0 BCAERO C[C@H]1CC[C@H](O)C[N@@H+]1CCCN1CCOCC1 ZINC000421010445 192299686 /nfs/dbraw/zinc/29/96/86/192299686.db2.gz IVPQCASEOUWISS-STQMWFEESA-N 1 0 242.363 0.554 10 0 BCAERO CS(=O)(=O)N1CCC[C@H](C[NH3+])CC1 ZINC000216219412 363487867 /nfs/dbraw/zinc/48/78/67/363487867.db2.gz VULTVKYGOFDTJA-QMMMGPOBSA-N 1 0 206.311 0.007 10 0 BCAERO Cc1cnc(N2C[C@@H](C[NH3+])[C@H](C)C2)nc1 ZINC000630094622 363538042 /nfs/dbraw/zinc/53/80/42/363538042.db2.gz VOEAAOVXJAVPRL-NXEZZACHSA-N 1 0 206.293 0.816 10 0 BCAERO CCC(=O)N1C[C@H]([NH3+])[C@H](C(F)(F)F)C1 ZINC000675059361 538484192 /nfs/dbraw/zinc/48/41/92/538484192.db2.gz GSSGYQOTOMCOON-RITPCOANSA-N 1 0 210.199 0.744 10 0 BCAERO Cn1cc([C@@H]2[C@@H](C[NH3+])CCC(=O)N2C2CC2)cn1 ZINC000675058247 538481558 /nfs/dbraw/zinc/48/15/58/538481558.db2.gz XNSOMCRXDYQNON-RNCFNFMXSA-N 1 0 248.330 0.821 10 0 BCAERO CC[C@@]1(CNC(=O)C(C)C)C[NH2+]CCO1 ZINC000675058917 538481902 /nfs/dbraw/zinc/48/19/02/538481902.db2.gz BPNDXQGIQHLDIB-NSHDSACASA-N 1 0 214.309 0.527 10 0 BCAERO CCCNC(=O)NC[C@@]1(C)C[NH2+]CCO1 ZINC000675058904 538482172 /nfs/dbraw/zinc/48/21/72/538482172.db2.gz BKGCPSZOEVRRAY-SNVBAGLBSA-N 1 0 215.297 0.074 10 0 BCAERO CC(C)(C)C(=O)N1CCO[C@@](C)(C[NH3+])C1 ZINC000675058929 538482427 /nfs/dbraw/zinc/48/24/27/538482427.db2.gz CFNBDJTVPJWBET-NSHDSACASA-N 1 0 214.309 0.609 10 0 BCAERO CC[C@]1(C[NH3+])CN(C(=O)CC2CC2)CCO1 ZINC000675058845 538482482 /nfs/dbraw/zinc/48/24/82/538482482.db2.gz ARLWDARQQDITNU-LBPRGKRZSA-N 1 0 226.320 0.753 10 0 BCAERO CCCNC(=O)NC[C@]1(CCC)C[NH2+]CCO1 ZINC000675058902 538482576 /nfs/dbraw/zinc/48/25/76/538482576.db2.gz BIRVWUJWYUISAR-LBPRGKRZSA-N 1 0 243.351 0.854 10 0 BCAERO CCC[C@H](C)C(=O)NC[C@@]1(C)C[NH2+]CCO1 ZINC000675059267 538484383 /nfs/dbraw/zinc/48/43/83/538484383.db2.gz MMEGTACBVGHBHV-CMPLNLGQSA-N 1 0 228.336 0.917 10 0 BCAERO CC(C)[C@@H](C)NC(=O)N1CCO[C@@](C)(C[NH3+])C1 ZINC000675059288 538483526 /nfs/dbraw/zinc/48/35/26/538483526.db2.gz MRGWOVGOYIOVBD-PWSUYJOCSA-N 1 0 243.351 0.790 10 0 BCAERO CCCNC(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000675056822 538478614 /nfs/dbraw/zinc/47/86/14/538478614.db2.gz PURURIKZRSXTOV-VHSXEESVSA-N 1 0 211.309 0.790 10 0 BCAERO CC[C@@]1(C[NH3+])CN(C(=O)NC(C)(C)C)CCO1 ZINC000675059741 538485328 /nfs/dbraw/zinc/48/53/28/538485328.db2.gz WDQAJAYFLQAYCG-GFCCVEGCSA-N 1 0 243.351 0.934 10 0 BCAERO CC(C)CNC(=O)NC[C@@]1(C)C[NH2+]CCO1 ZINC000675060046 538485472 /nfs/dbraw/zinc/48/54/72/538485472.db2.gz ZUBJLRIFWNJTLO-LLVKDONJSA-N 1 0 229.324 0.320 10 0 BCAERO CCCNC(=O)N1CCO[C@](CC)(C[NH3+])C1 ZINC000675059720 538485487 /nfs/dbraw/zinc/48/54/87/538485487.db2.gz VPNRNMFJVCQQLR-LLVKDONJSA-N 1 0 229.324 0.546 10 0 BCAERO CCCC(=O)N1CCO[C@](CC)(C[NH3+])C1 ZINC000675059888 538485687 /nfs/dbraw/zinc/48/56/87/538485687.db2.gz XENOVYZEYJAVHN-LLVKDONJSA-N 1 0 214.309 0.753 10 0 BCAERO [NH3+][C@H]1COC[C@H]1Oc1cnn(-c2ccccc2)c1 ZINC000675060194 538485808 /nfs/dbraw/zinc/48/58/08/538485808.db2.gz UGUZFGDYFWJDGH-QWHCGFSZSA-N 1 0 245.282 0.977 10 0 BCAERO CCC[C@]1(C[NH3+])CN(C(C)=O)CCO1 ZINC000675060056 538485931 /nfs/dbraw/zinc/48/59/31/538485931.db2.gz ZYKRDAPSOOKRBO-JTQLQIEISA-N 1 0 200.282 0.363 10 0 BCAERO C[NH+](C)CC(=O)N1CC[C@]2(CO)CCC[C@H]12 ZINC000675060175 538485972 /nfs/dbraw/zinc/48/59/72/538485972.db2.gz BUWFRKDRTREOQT-JQWIXIFHSA-N 1 0 226.320 0.312 10 0 BCAERO CCCCS(=O)(=O)N1CCC[C@H]2C[C@]21C[NH3+] ZINC000675070268 538500337 /nfs/dbraw/zinc/50/03/37/538500337.db2.gz NKSYJVUKXYDMCE-QWRGUYRKSA-N 1 0 246.376 0.930 10 0 BCAERO O=S(=O)(NC[C@@]12C[C@@H]1CCC[NH2+]2)C1CC1 ZINC000675070852 538501136 /nfs/dbraw/zinc/50/11/36/538501136.db2.gz UAFSCYWXHYDPBA-WPRPVWTQSA-N 1 0 230.333 0.210 10 0 BCAERO OC[C@@H]1[NH2+]CCOc2c(F)cc(F)cc21 ZINC000675072618 538503633 /nfs/dbraw/zinc/50/36/33/538503633.db2.gz ASRHMBNWGMJBAJ-VIFPVBQESA-N 1 0 215.199 0.980 10 0 BCAERO CCn1cc(CC2=C[C@H](N)C[NH2+]C2)cn1 ZINC000675076570 538511499 /nfs/dbraw/zinc/51/14/99/538511499.db2.gz DGRSSSMADFGKAC-NSHDSACASA-N 1 0 206.293 0.302 10 0 BCAERO CC[C@@H](C)[NH2+]C[C@](O)(C(=O)OC)C(F)(F)F ZINC000675072830 538504060 /nfs/dbraw/zinc/50/40/60/538504060.db2.gz IHYDWKXTRNYIFJ-SVRRBLITSA-N 1 0 243.225 0.841 10 0 BCAERO CC(C)[NH2+]Cc1cn(C(F)(F)CO)nn1 ZINC000675076567 538511587 /nfs/dbraw/zinc/51/15/87/538511587.db2.gz PARVKZZSZLWUED-UHFFFAOYSA-N 1 0 220.223 0.318 10 0 BCAERO COc1ncccc1[C@@H]1CC[NH2+]C[C@H]1N ZINC000675073670 538506421 /nfs/dbraw/zinc/50/64/21/538506421.db2.gz SMOUNVKYEOYOGU-WCBMZHEXSA-N 1 0 207.277 0.494 10 0 BCAERO CC[C@H]([NH3+])CNc1cnn(C)c(=O)c1Cl ZINC000167915328 134154599 /nfs/dbraw/zinc/15/45/99/134154599.db2.gz WMMWGHBCHPAUIU-LURJTMIESA-N 1 0 230.699 0.583 10 0 BCAERO CCn1cc(CC2=C[C@@H](N)C[NH2+]C2)cn1 ZINC000675076569 538511666 /nfs/dbraw/zinc/51/16/66/538511666.db2.gz DGRSSSMADFGKAC-LLVKDONJSA-N 1 0 206.293 0.302 10 0 BCAERO COC(=O)c1cc(-c2cnn3c2C[NH2+]CC3)c[nH]1 ZINC000675076661 538511017 /nfs/dbraw/zinc/51/10/17/538511017.db2.gz PWCHBSBIXQHTHG-UHFFFAOYSA-N 1 0 246.270 0.768 10 0 BCAERO Cc1cn(C)nc1CC1=C[C@@H](O)C[NH2+]C1 ZINC000675076643 538511094 /nfs/dbraw/zinc/51/10/94/538511094.db2.gz FLSKNGLXKNRPQB-SNVBAGLBSA-N 1 0 207.277 0.162 10 0 BCAERO [NH3+]C[C@@]12C[C@@H]1CCCN2S(=O)(=O)C1CC1 ZINC000675068883 538497916 /nfs/dbraw/zinc/49/79/16/538497916.db2.gz FHLDYOIXHWQISK-WPRPVWTQSA-N 1 0 230.333 0.292 10 0 BCAERO C[C@H](NC(=O)[C@@H]1CCC[C@@H]1[NH3+])[C@H]1CCCO1 ZINC000084856332 134159182 /nfs/dbraw/zinc/15/91/82/134159182.db2.gz VVDNHWRNEGMZOV-ZRUFSTJUSA-N 1 0 226.320 0.798 10 0 BCAERO COc1ccncc1C1=C[C@H](O)C[NH2+]C1 ZINC000675077466 538513436 /nfs/dbraw/zinc/51/34/36/538513436.db2.gz MWEFAKUMVLZQID-VIFPVBQESA-N 1 0 206.245 0.438 10 0 BCAERO Cn1cc(CCC2=C[C@H](O)C[NH2+]C2)cn1 ZINC000675077667 538513735 /nfs/dbraw/zinc/51/37/35/538513735.db2.gz PXAMWQHXKYETHF-NSHDSACASA-N 1 0 207.277 0.243 10 0 BCAERO COc1ncccc1C1=C[C@@H]([NH3+])CNC1 ZINC000675077754 538514071 /nfs/dbraw/zinc/51/40/71/538514071.db2.gz ICDTZDMINXQTPY-SECBINFHSA-N 1 0 205.261 0.404 10 0 BCAERO Cc1cnc(N)c(C2=C[C@H](N)C[NH2+]C2)c1 ZINC000675077657 538514135 /nfs/dbraw/zinc/51/41/35/538514135.db2.gz PQRLXATZVSUIFM-VIFPVBQESA-N 1 0 204.277 0.286 10 0 BCAERO O[C@@H]1C=C(c2c(F)cncc2F)C[NH2+]C1 ZINC000675078027 538514649 /nfs/dbraw/zinc/51/46/49/538514649.db2.gz UTGOUQZROBYCAQ-SSDOTTSWSA-N 1 0 212.199 0.707 10 0 BCAERO N[C@H]1C=C(Cc2cccc(O)c2)C[NH2+]C1 ZINC000675077968 538514746 /nfs/dbraw/zinc/51/47/46/538514746.db2.gz LFCHDSNEYJXNSH-NSHDSACASA-N 1 0 204.273 0.792 10 0 BCAERO Cc1nnc(CC2=C[C@@H]([NH3+])CNC2)s1 ZINC000675078114 538514777 /nfs/dbraw/zinc/51/47/77/538514777.db2.gz MQBSTJSDTHKAJX-MRVPVSSYSA-N 1 0 210.306 0.246 10 0 BCAERO CCc1nnc(CC2=C[C@H]([NH3+])CNC2)s1 ZINC000675077896 538515537 /nfs/dbraw/zinc/51/55/37/538515537.db2.gz JVTPJKKGSOTVKZ-QMMMGPOBSA-N 1 0 224.333 0.500 10 0 BCAERO Cc1nnc(CC2=C[C@@H](O)C[NH2+]C2)s1 ZINC000675078291 538515620 /nfs/dbraw/zinc/51/56/20/538515620.db2.gz WURFQGOYEHBUIX-MRVPVSSYSA-N 1 0 211.290 0.280 10 0 BCAERO CC(C)n1ncnc1C1=C[C@@H]([NH3+])CNC1 ZINC000675078723 538516404 /nfs/dbraw/zinc/51/64/04/538516404.db2.gz RRBDAUWUBRBGIQ-SECBINFHSA-N 1 0 207.281 0.173 10 0 BCAERO COC[C@@H]([NH3+])c1cnnn1CCSC ZINC000675079217 538517072 /nfs/dbraw/zinc/51/70/72/538517072.db2.gz BEZJNNOMIZNREV-SSDOTTSWSA-N 1 0 216.310 0.287 10 0 BCAERO CN(c1nnc(C(F)(F)F)s1)C1C[NH2+]C1 ZINC000168097302 134156323 /nfs/dbraw/zinc/15/63/23/134156323.db2.gz QLNXVBSDRLXPQM-UHFFFAOYSA-N 1 0 238.238 0.965 10 0 BCAERO CCCn1cc(C2=C[C@@H]([NH3+])CNC2)cn1 ZINC000675077360 538512391 /nfs/dbraw/zinc/51/23/91/538512391.db2.gz CZCYGMHJJGMRCW-LLVKDONJSA-N 1 0 206.293 0.607 10 0 BCAERO Cc1cnc(N)c(C2=C[C@H](O)C[NH2+]C2)c1 ZINC000675077316 538512537 /nfs/dbraw/zinc/51/25/37/538512537.db2.gz LDXOHORMXZEKTH-VIFPVBQESA-N 1 0 205.261 0.320 10 0 BCAERO COc1ncc(C2=C[C@@H]([NH3+])CNC2)s1 ZINC000675077234 538512682 /nfs/dbraw/zinc/51/26/82/538512682.db2.gz BHTGTIVORLRPHR-SSDOTTSWSA-N 1 0 211.290 0.466 10 0 BCAERO CC[NH+](CC)C[C@@H](O)Cn1ccc(N)n1 ZINC000219621056 538533091 /nfs/dbraw/zinc/53/30/91/538533091.db2.gz KWLGHFSZHDLPPK-SECBINFHSA-N 1 0 212.297 0.168 10 0 BCAERO NC(=O)[C@@]1([NH3+])CCC[C@H](n2ccnc2)C1 ZINC000086604646 538558340 /nfs/dbraw/zinc/55/83/40/538558340.db2.gz HNRLNOIAQQFJAI-WCBMZHEXSA-N 1 0 208.265 0.181 10 0 BCAERO CC(C)NC(=O)N1CC2(C1)CCC[NH2+]C2 ZINC000220547060 538543031 /nfs/dbraw/zinc/54/30/31/538543031.db2.gz FKUHLZGYDZBLRH-UHFFFAOYSA-N 1 0 211.309 0.790 10 0 BCAERO CSCC[C@@H](O)[C@]1(C[NH3+])CCOC1 ZINC000085919224 538548731 /nfs/dbraw/zinc/54/87/31/538548731.db2.gz VOSNOLDUHQRURD-BDAKNGLRSA-N 1 0 205.323 0.466 10 0 BCAERO C[C@@H](C[NH3+])C1(O)CN(C(=O)OC(C)(C)C)C1 ZINC000085923844 538548871 /nfs/dbraw/zinc/54/88/71/538548871.db2.gz ZRKVAZQFNYPUBI-QMMMGPOBSA-N 1 0 230.308 0.563 10 0 BCAERO C[C@H]1C[C@]2(CC[N@@H+]1C)NCCc1nc[nH]c12 ZINC000400390418 538526103 /nfs/dbraw/zinc/52/61/03/538526103.db2.gz PEEKBYBRFNLKLH-CABZTGNLSA-N 1 0 220.320 0.865 10 0 BCAERO CCCNC(=O)NC[C@@H]1CC[NH2+]C[C@@H]1C ZINC000129819044 538576431 /nfs/dbraw/zinc/57/64/31/538576431.db2.gz AKSRBEOUNWVEAT-UWVGGRQHSA-N 1 0 213.325 0.941 10 0 BCAERO CC(C)NC(=O)NC[C@@H]1CC[NH2+]C[C@H]1C ZINC000129820351 538577715 /nfs/dbraw/zinc/57/77/15/538577715.db2.gz GAACGXKLLBQXRB-ZJUUUORDSA-N 1 0 213.325 0.940 10 0 BCAERO CCC[C@H](C)C(=O)N1CC(N2CC[NH2+]CC2)C1 ZINC000090308776 538591715 /nfs/dbraw/zinc/59/17/15/538591715.db2.gz VUVIOJYXSRGMNS-NSHDSACASA-N 1 0 239.363 0.539 10 0 BCAERO CC[C@@H](C[NH3+])C1(O)CN(C(=O)OC(C)(C)C)C1 ZINC000091925224 538596078 /nfs/dbraw/zinc/59/60/78/538596078.db2.gz NNAJDKSQLJMGNP-VIFPVBQESA-N 1 0 244.335 0.953 10 0 BCAERO CC[NH+](CC)CCn1ccc(=O)c(N)c1 ZINC000133159393 538602702 /nfs/dbraw/zinc/60/27/02/538602702.db2.gz QYOUNNDDCDIEGY-UHFFFAOYSA-N 1 0 209.293 0.772 10 0 BCAERO C[C@H]([NH2+]CCN1C(=O)CCC1=O)[C@@H]1CCCO1 ZINC000193130160 356711390 /nfs/dbraw/zinc/71/13/90/356711390.db2.gz QILYWAAIEZZSGH-UWVGGRQHSA-N 1 0 240.303 0.293 10 0 BCAERO C[C@H]([NH2+]CCN1C(=O)CCC1=O)[C@H]1CCCO1 ZINC000193130183 356711496 /nfs/dbraw/zinc/71/14/96/356711496.db2.gz QILYWAAIEZZSGH-VHSXEESVSA-N 1 0 240.303 0.293 10 0 BCAERO CC1(C)C[NH+](CC[C@@H](N)C(N)=O)CC(C)(C)O1 ZINC000226441971 538611267 /nfs/dbraw/zinc/61/12/67/538611267.db2.gz LITQQZXHVLRQIP-SECBINFHSA-N 1 0 243.351 0.079 10 0 BCAERO COC[C@H](C)C(=O)N1[C@H](C)C[NH+](C)C[C@H]1C ZINC000155600814 538722214 /nfs/dbraw/zinc/72/22/14/538722214.db2.gz KYJVFFLLAORFNE-HBNTYKKESA-N 1 0 228.336 0.820 10 0 BCAERO C[NH2+][C@@H](C1CC1)[C@@H]1CCCCS1(=O)=O ZINC000129803308 356966799 /nfs/dbraw/zinc/96/67/99/356966799.db2.gz XGNCWCNPQPYZPX-UWVGGRQHSA-N 1 0 217.334 0.952 10 0 BCAERO CN1CC[N@H+](C[C@@H]2CCC[C@@H](O)C2)[C@@H](CO)C1 ZINC000639865867 356975191 /nfs/dbraw/zinc/97/51/91/356975191.db2.gz ATVDQRCJEAEAMB-JHJVBQTASA-N 1 0 242.363 0.146 10 0 BCAERO O=C([N-]CC1=CC[NH2+]CC1)C(F)(F)F ZINC000160516270 357029707 /nfs/dbraw/zinc/02/97/07/357029707.db2.gz BFDKMORFTQJVEP-UHFFFAOYSA-N 1 0 208.183 0.585 10 0 BCAERO CC(C)(O)C[NH2+][C@H](CO)CC(F)(F)F ZINC000582301514 357037819 /nfs/dbraw/zinc/03/78/19/357037819.db2.gz IXRCZXFYOAWKSZ-LURJTMIESA-N 1 0 215.215 0.660 10 0 BCAERO CC1(C)CN(C(=O)C[NH3+])CC(C)(C)O1 ZINC000226423423 357042029 /nfs/dbraw/zinc/04/20/29/357042029.db2.gz QKFYYLJRYFYRIW-UHFFFAOYSA-N 1 0 200.282 0.361 10 0 BCAERO O=C(c1ccco1)N1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC000403992406 357138944 /nfs/dbraw/zinc/13/89/44/357138944.db2.gz FDWAMIZAAXZTAK-ZJUUUORDSA-N 1 0 236.271 0.483 10 0 BCAERO CN1CCC([N@H+](C)C[C@@H]2C[C@@H]2C(=O)[O-])CC1 ZINC000258857482 538800873 /nfs/dbraw/zinc/80/08/73/538800873.db2.gz JPELJQRTCZZRFV-ONGXEEELSA-N 1 0 226.320 0.733 10 0 BCAERO OC1(C[NH+]2CC(n3cccn3)C2)CCC1 ZINC000585570855 538802515 /nfs/dbraw/zinc/80/25/15/538802515.db2.gz SBWGBFBEANEFED-UHFFFAOYSA-N 1 0 207.277 0.655 10 0 BCAERO CCS(=O)(=O)C1CCC([NH2+]C)CC1 ZINC000259342153 538813603 /nfs/dbraw/zinc/81/36/03/538813603.db2.gz XZPWINKDUVOXOP-UHFFFAOYSA-N 1 0 205.323 0.952 10 0 BCAERO COCCC(=O)NC[C@@]1(C)CCC[NH2+]1 ZINC000157194947 538813859 /nfs/dbraw/zinc/81/38/59/538813859.db2.gz NESSKJQLMZDNQY-SNVBAGLBSA-N 1 0 200.282 0.281 10 0 BCAERO Nc1ncccc1C(=O)C[C@@H]1CCC[NH2+]1 ZINC000168751022 357211339 /nfs/dbraw/zinc/21/13/39/357211339.db2.gz OHUOJQLXFGTCKC-QMMMGPOBSA-N 1 0 205.261 0.989 10 0 BCAERO NC(=O)c1cc(NC[C@H]2CCC[NH2+]2)ccn1 ZINC000053254996 181290677 /nfs/dbraw/zinc/29/06/77/181290677.db2.gz XBCVGZKFTBRQAF-SECBINFHSA-N 1 0 220.276 0.344 10 0 BCAERO C[NH2+]C[C@@H](C)CNS(=O)(=O)N(C)C(C)C ZINC000168319408 134196194 /nfs/dbraw/zinc/19/61/94/134196194.db2.gz BGBKLDFBXFZVSS-SECBINFHSA-N 1 0 237.369 0.017 10 0 BCAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]Cc1ccc(CO)o1 ZINC000392880835 357261047 /nfs/dbraw/zinc/26/10/47/357261047.db2.gz VDUSEKMWYILYCC-KWQFWETISA-N 1 0 238.287 0.529 10 0 BCAERO C[C@H]1[C@H](O)CCC[N@@H+]1CCCC(=O)N(C)C ZINC000395124963 357413886 /nfs/dbraw/zinc/41/38/86/357413886.db2.gz ZUPOZYSONGKLEH-WDEREUQCSA-N 1 0 228.336 0.700 10 0 BCAERO C[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H]2CCCO)C1 ZINC000395297544 357423112 /nfs/dbraw/zinc/42/31/12/357423112.db2.gz INBPFOJSAIIDFS-NWDGAFQWSA-N 1 0 240.347 0.702 10 0 BCAERO COC[C@H](O)C[NH2+]CC1C[C@H](C)O[C@@H](C)C1 ZINC000582960171 357438730 /nfs/dbraw/zinc/43/87/30/357438730.db2.gz DKZGRQGFVUTUEZ-JBLDHEPKSA-N 1 0 231.336 0.787 10 0 BCAERO O=C1NCC[C@@H]1CC[N@H+]1CCC[C@@H]1CCCO ZINC000396076862 357470440 /nfs/dbraw/zinc/47/04/40/357470440.db2.gz JDKQYQKICGXSPN-VXGBXAGGSA-N 1 0 240.347 0.750 10 0 BCAERO [NH3+][C@@H]1CC[C@H](C(=O)N2CCc3n[nH]cc3C2)C1 ZINC000396848889 357485491 /nfs/dbraw/zinc/48/54/91/357485491.db2.gz JIISBHPBURWKLE-WCBMZHEXSA-N 1 0 234.303 0.422 10 0 BCAERO CCOC(=O)c1cc([C@@H]2CC[NH2+]C2)[nH]n1 ZINC000260944900 538854641 /nfs/dbraw/zinc/85/46/41/538854641.db2.gz TWQHFNJDACAHKN-SSDOTTSWSA-N 1 0 209.249 0.663 10 0 BCAERO Cn1nccc1CC[N@@H+]1CC[C@@H](CCO)C1 ZINC000230887193 357577183 /nfs/dbraw/zinc/57/71/83/357577183.db2.gz BOTSJHQWCXTJJL-NSHDSACASA-N 1 0 223.320 0.667 10 0 BCAERO C[C@H]1OCCC[C@@H]1C(=O)N(C)CC[NH+](C)C ZINC000188704019 357564942 /nfs/dbraw/zinc/56/49/42/357564942.db2.gz SKMZZBPHVCQBIF-MNOVXSKESA-N 1 0 228.336 0.822 10 0 BCAERO C[C@@H]1C(=O)NCCC[N@H+]1CCCn1ccnc1 ZINC000189315234 357631015 /nfs/dbraw/zinc/63/10/15/357631015.db2.gz HPXMHOFNQPLVPP-LLVKDONJSA-N 1 0 236.319 0.484 10 0 BCAERO NC(=O)c1cc(OC[C@@H]2CCC[NH2+]2)ccn1 ZINC000051865891 181292073 /nfs/dbraw/zinc/29/20/73/181292073.db2.gz HGJXWPBJJAJHEU-QMMMGPOBSA-N 1 0 221.260 0.311 10 0 BCAERO C[C@@H]1C(=O)NCCCN1Cc1cnn(C)c1 ZINC000189074408 357602721 /nfs/dbraw/zinc/60/27/21/357602721.db2.gz QLCKDGZGAZVFFE-SECBINFHSA-N 1 0 222.292 0.131 10 0 BCAERO CC[C@H](C)NC(=O)CN(C)[C@@H]1CCC[NH2+]CC1 ZINC000231670516 357618371 /nfs/dbraw/zinc/61/83/71/357618371.db2.gz DPHBFXOZCAVZOD-NWDGAFQWSA-N 1 0 241.379 0.975 10 0 BCAERO COCCC(=O)NC[C@@]12CC[C@@H]1CC[NH2+]2 ZINC000685946630 538885735 /nfs/dbraw/zinc/88/57/35/538885735.db2.gz LWXMLQCFNYXTDW-KOLCDFICSA-N 1 0 212.293 0.281 10 0 BCAERO O=C(CC1CC1)N[C@H]1CC[NH2+]C[C@H]1F ZINC000685945833 538886792 /nfs/dbraw/zinc/88/67/92/538886792.db2.gz CCGOLWKCVHXYLB-BDAKNGLRSA-N 1 0 200.257 0.603 10 0 BCAERO COCCNC(=O)N1CCC[C@@]1(C)C[NH3+] ZINC000685946705 538887032 /nfs/dbraw/zinc/88/70/32/538887032.db2.gz BJWPVLUCQNPMFE-JTQLQIEISA-N 1 0 215.297 0.156 10 0 BCAERO CC(C)NC(=O)N[C@H]1CC[NH2+]C[C@H]1F ZINC000685945904 538887690 /nfs/dbraw/zinc/88/76/90/538887690.db2.gz FPMKFQUPEKTHAC-SFYZADRCSA-N 1 0 203.261 0.394 10 0 BCAERO CC(C)(C)C(=O)N1CC[C@H]([NH3+])[C@@H](F)C1 ZINC000685946507 538888069 /nfs/dbraw/zinc/88/80/69/538888069.db2.gz RPDLYCYGJRLKKH-YUMQZZPRSA-N 1 0 202.273 0.930 10 0 BCAERO CCCCS(=O)(=O)N[C@@H]1CC[NH2+]C[C@@H]1F ZINC000685946375 538888135 /nfs/dbraw/zinc/88/81/35/538888135.db2.gz RMTTVDOJSMDUQM-DTWKUNHWSA-N 1 0 238.328 0.406 10 0 BCAERO CC1(C(=O)N[C@H]2CC[NH2+]C[C@H]2F)CC1 ZINC000685946346 538888381 /nfs/dbraw/zinc/88/83/81/538888381.db2.gz PWWJJLPGCAPZIN-SFYZADRCSA-N 1 0 200.257 0.603 10 0 BCAERO C[NH+](C)CC(=O)NCC[C@H]1CCCC[C@H]1O ZINC000685947247 538888669 /nfs/dbraw/zinc/88/86/69/538888669.db2.gz KZOJMKNMSGWXQV-GHMZBOCLSA-N 1 0 228.336 0.605 10 0 BCAERO CCC(CC)[NH2+]CC[C@@H](N)C(=O)OC ZINC000685947192 538888796 /nfs/dbraw/zinc/88/87/96/538888796.db2.gz FYQHPRBWNDSDPW-SECBINFHSA-N 1 0 202.298 0.655 10 0 BCAERO CCC(CC)[NH2+]CC[C@H](N)C(=O)OC ZINC000685947193 538888839 /nfs/dbraw/zinc/88/88/39/538888839.db2.gz FYQHPRBWNDSDPW-VIFPVBQESA-N 1 0 202.298 0.655 10 0 BCAERO CC[C@@]1(NS(=O)(=O)C2CC2)CCC[NH2+]C1 ZINC000685947122 538888912 /nfs/dbraw/zinc/88/89/12/538888912.db2.gz JCQUYHLKCIAAKF-SNVBAGLBSA-N 1 0 232.349 0.600 10 0 BCAERO CC[C@]1([NH3+])CCCN(S(=O)(=O)CC)C1 ZINC000685946965 538888971 /nfs/dbraw/zinc/88/89/71/538888971.db2.gz HKPCRJFQGULJIV-VIFPVBQESA-N 1 0 220.338 0.539 10 0 BCAERO C[C@]1(C[NH3+])CCCN1S(=O)(=O)C1CC1 ZINC000685947967 538889686 /nfs/dbraw/zinc/88/96/86/538889686.db2.gz VGKAWOBRWAWEPM-SECBINFHSA-N 1 0 218.322 0.292 10 0 BCAERO CCOC(=O)[C@@H]1CCO[C@H]1C1CC[NH2+]CC1 ZINC000685948263 538890286 /nfs/dbraw/zinc/89/02/86/538890286.db2.gz DTOCYZJKMDHELH-MNOVXSKESA-N 1 0 227.304 0.954 10 0 BCAERO CC(C)NC(=O)[C@@]1(F)C[NH2+]CC12CCC2 ZINC000685948385 538890814 /nfs/dbraw/zinc/89/08/14/538890814.db2.gz LJKSRQRWHGJUKG-NSHDSACASA-N 1 0 214.284 0.993 10 0 BCAERO CCS(=O)(=O)N1CC[C@@]2([NH3+])CCCC[C@@H]12 ZINC000685948648 538891108 /nfs/dbraw/zinc/89/11/08/538891108.db2.gz DATDHIQRAJGWGO-ZJUUUORDSA-N 1 0 232.349 0.682 10 0 BCAERO Cn1ncc(N)c1-c1ccc(C[NH3+])c(F)n1 ZINC000685948419 538891289 /nfs/dbraw/zinc/89/12/89/538891289.db2.gz NGOQXTAMFLDJAT-UHFFFAOYSA-N 1 0 221.239 0.662 10 0 BCAERO COC(=O)Cn1cc2c(n1)[C@H]([NH3+])CCC2 ZINC000685950090 538893251 /nfs/dbraw/zinc/89/32/51/538893251.db2.gz HFEQPHGIBULKTJ-MRVPVSSYSA-N 1 0 209.249 0.392 10 0 BCAERO CC(C)[C@@H](C)NC(=O)N1CC[C@@](O)(C[NH3+])C1 ZINC000685950428 538894052 /nfs/dbraw/zinc/89/40/52/538894052.db2.gz POKFAHDKKUFLMQ-MWLCHTKSSA-N 1 0 229.324 0.136 10 0 BCAERO COCCCC[N@@H+]1CCCNC(=O)[C@H]1C ZINC000189329566 357632148 /nfs/dbraw/zinc/63/21/48/357632148.db2.gz YVBGZEXAGKUAFE-SNVBAGLBSA-N 1 0 214.309 0.623 10 0 BCAERO CC1(CNC(=O)[C@@H]2[NH2+]CCCC2(C)C)COC1 ZINC000232895805 357686475 /nfs/dbraw/zinc/68/64/75/357686475.db2.gz FBPOBKKNXYDDME-JTQLQIEISA-N 1 0 240.347 0.917 10 0 BCAERO CC[C@H](C)CC(=O)NC[C@@H]1CN(C)CCO1 ZINC000190746976 357730057 /nfs/dbraw/zinc/73/00/57/357730057.db2.gz IHJIAYLIZMNJDS-WDEREUQCSA-N 1 0 228.336 0.869 10 0 BCAERO CCOC(=O)COCC[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000233682556 357732761 /nfs/dbraw/zinc/73/27/61/357732761.db2.gz FJPMLAIAFMYTGX-MNOVXSKESA-N 1 0 245.319 0.723 10 0 BCAERO CC1(C)C[C@@H]1CNC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000262089430 535366714 /nfs/dbraw/zinc/36/67/14/535366714.db2.gz GQVZVYLOSLNZOL-HRDYMLBCSA-N 1 0 214.284 0.849 10 0 BCAERO C[C@@H]1CN(C(=O)[C@@H]2CC[C@H]([NH3+])C2)C[C@H](C)O1 ZINC000085008974 134220532 /nfs/dbraw/zinc/22/05/32/134220532.db2.gz CAHOPMORROQYFW-YTWAJWBKSA-N 1 0 226.320 0.750 10 0 BCAERO C[C@@H]1COCCN1C(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000085010374 134221167 /nfs/dbraw/zinc/22/11/67/134221167.db2.gz PUQUMAORPRWZLZ-BBBLOLIVSA-N 1 0 212.293 0.361 10 0 BCAERO C[NH+](C)C[C@H]1CN(C(=O)OCC2CC2)CCO1 ZINC000192884442 357857959 /nfs/dbraw/zinc/85/79/59/357857959.db2.gz BIZVWFBOKNMZLY-NSHDSACASA-N 1 0 242.319 0.795 10 0 BCAERO Cc1cncc(C(=O)N2C[C@@H](C)[C@@H]([NH3+])C2)c1 ZINC000235380193 357858970 /nfs/dbraw/zinc/85/89/70/357858970.db2.gz IAIIDUGPXVLQSW-KOLCDFICSA-N 1 0 219.288 0.809 10 0 BCAERO C[C@@H]1CN(C(=O)Cc2ccccc2O)C[C@@H]1[NH3+] ZINC000235338627 357865903 /nfs/dbraw/zinc/86/59/03/357865903.db2.gz YLZZCBSGYUXKIJ-KOLCDFICSA-N 1 0 234.299 0.740 10 0 BCAERO C[C@@H]1CN(C(=O)c2cccc(C(N)=O)c2)C[C@H]1[NH3+] ZINC000235362733 357867304 /nfs/dbraw/zinc/86/73/04/357867304.db2.gz AZZQHGGHJSWIST-LDYMZIIASA-N 1 0 247.298 0.205 10 0 BCAERO CC[C@H](O)CCCNC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000398492320 357886396 /nfs/dbraw/zinc/88/63/96/357886396.db2.gz GUOWAUDIBHSXCB-OUAUKWLOSA-N 1 0 228.336 0.509 10 0 BCAERO C[C@H]1CN(C(=O)c2cncc(F)c2)C[C@@H]1[NH3+] ZINC000235678793 357927934 /nfs/dbraw/zinc/92/79/34/357927934.db2.gz UDUDMVDRZULTQZ-XVKPBYJWSA-N 1 0 223.251 0.640 10 0 BCAERO CCC[C@H](O)CNC(=O)C[C@H]1CCC[NH2+]C1 ZINC000217957216 357917422 /nfs/dbraw/zinc/91/74/22/357917422.db2.gz VTKRRUPKIXZGLT-MNOVXSKESA-N 1 0 228.336 0.653 10 0 BCAERO Cc1cnc(N2C[C@H]([NH3+])[C@@H](C)C2)nc1C ZINC000386476028 357929793 /nfs/dbraw/zinc/92/97/93/357929793.db2.gz PQKGIFHLJDUTSI-WPRPVWTQSA-N 1 0 206.293 0.877 10 0 BCAERO COCCOCC[N@@H+]1CC[C@@H](O)C[C@H]1C ZINC000639938721 357944329 /nfs/dbraw/zinc/94/43/29/357944329.db2.gz JJYFFGWBMBTANK-GHMZBOCLSA-N 1 0 217.309 0.495 10 0 BCAERO C[C@@H](O)CCC[N@@H+]1CC[C@@H](O)C[C@H]1C ZINC000639939158 357946486 /nfs/dbraw/zinc/94/64/86/357946486.db2.gz WPYJFZNDAWARAR-GMTAPVOTSA-N 1 0 201.310 0.993 10 0 BCAERO COC[C@](C)(CO)[NH2+]C[C@@H]1CCC[C@@H](O)C1 ZINC000639957344 357980994 /nfs/dbraw/zinc/98/09/94/357980994.db2.gz MCHBGISVTJXBBL-UTUOFQBUSA-N 1 0 231.336 0.525 10 0 BCAERO COC(=O)[C@H](C)N1CC[C@H]([NH3+])C[C@@H]1C ZINC000168968374 358001945 /nfs/dbraw/zinc/00/19/45/358001945.db2.gz FMPVVBXVEZRJIF-CIUDSAMLSA-N 1 0 200.282 0.360 10 0 BCAERO CO[C@H](C)C(=O)N1C[C@@H](C)[C@@H]([NH+](C)C)C1 ZINC000168739328 134247733 /nfs/dbraw/zinc/24/77/33/134247733.db2.gz BOBCPBKTMWQPQN-BBBLOLIVSA-N 1 0 214.309 0.430 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)[C@@H]1CCCCO1 ZINC000217437193 134246746 /nfs/dbraw/zinc/24/67/46/134246746.db2.gz QMRGMCLSFBRNMI-AXFHLTTASA-N 1 0 226.320 0.799 10 0 BCAERO COC[C@@H](C)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000170894069 134254470 /nfs/dbraw/zinc/25/44/70/134254470.db2.gz JARJSSJUURPWMY-GHMZBOCLSA-N 1 0 226.320 0.576 10 0 BCAERO OC[C@@H]1C[N@@H+]([C@@H]2CCOC2)C[C@H]1C(F)(F)F ZINC000640043483 358140216 /nfs/dbraw/zinc/14/02/16/358140216.db2.gz GHEFZDWTZYIQJJ-DJLDLDEBSA-N 1 0 239.237 0.878 10 0 BCAERO [NH3+]CCCCc1ccc(OC[C@@H](O)CO)cc1 ZINC000038276715 358144249 /nfs/dbraw/zinc/14/42/49/358144249.db2.gz SWTFPLPPUYEGBH-LBPRGKRZSA-N 1 0 239.315 0.700 10 0 BCAERO CSCCN1CCO[C@H](C[NH+](C)C)C1 ZINC000171636847 134257590 /nfs/dbraw/zinc/25/75/90/134257590.db2.gz HBJQRDKLLVBJNI-SNVBAGLBSA-N 1 0 218.366 0.612 10 0 BCAERO CC[C@H](C)NC(=O)CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171643292 134257601 /nfs/dbraw/zinc/25/76/01/134257601.db2.gz TZDOUJYUCKYSNT-NWDGAFQWSA-N 1 0 239.363 0.681 10 0 BCAERO CO[C@@H](C)CNC(=O)[C@@]1(C)CCC[NH2+]1 ZINC000223748127 358230082 /nfs/dbraw/zinc/23/00/82/358230082.db2.gz VQMQQHMVZXDUOI-WCBMZHEXSA-N 1 0 200.282 0.280 10 0 BCAERO O=C(NCC[C@@H]1CCCCO1)[C@@H]1CC[NH2+]C1 ZINC000224090281 358230901 /nfs/dbraw/zinc/23/09/01/358230901.db2.gz LEZUVRONEOHVBH-MNOVXSKESA-N 1 0 226.320 0.671 10 0 BCAERO CO[C@H]1C[NH2+][C@@H](C(=O)NCCc2cccnc2)C1 ZINC000040633890 358243926 /nfs/dbraw/zinc/24/39/26/358243926.db2.gz YHRRZKUOPWFYQX-VXGBXAGGSA-N 1 0 249.314 0.117 10 0 BCAERO CNc1nc([C@@H]2CC[NH2+]C2)cn2ncnc12 ZINC000584612573 358275901 /nfs/dbraw/zinc/27/59/01/358275901.db2.gz CLWIXKFXBXQECF-SSDOTTSWSA-N 1 0 218.264 0.243 10 0 BCAERO C[C@@H]1COC[C@H](C)[N@H+]1CCCC(=O)NC(N)=O ZINC000172668726 134267292 /nfs/dbraw/zinc/26/72/92/134267292.db2.gz AZVLKICALRXWOW-DTORHVGOSA-N 1 0 243.307 0.071 10 0 BCAERO CCOCC(=O)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261537377 535413459 /nfs/dbraw/zinc/41/34/59/535413459.db2.gz VLBRJPUTPGZDNU-VIFPVBQESA-N 1 0 214.309 0.609 10 0 BCAERO CSCC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000172307591 134265474 /nfs/dbraw/zinc/26/54/74/134265474.db2.gz XGXNFAUMTOBNJM-VIFPVBQESA-N 1 0 232.349 0.138 10 0 BCAERO [NH3+]CC1(NC(=O)OCc2ccccc2)COC1 ZINC000584601184 358258231 /nfs/dbraw/zinc/25/82/31/358258231.db2.gz UNFXWNROIHEIKN-UHFFFAOYSA-N 1 0 236.271 0.641 10 0 BCAERO CCOCCO[C@@H]1C[C@H](C[NH+](C)C)C[C@@H]1CO ZINC000584603284 358261805 /nfs/dbraw/zinc/26/18/05/358261805.db2.gz PZQVZOIIYHQBIL-JHJVBQTASA-N 1 0 245.363 0.988 10 0 BCAERO COc1ccc(C[C@@H]2C[NH2+]CCO2)cn1 ZINC000584610322 358273221 /nfs/dbraw/zinc/27/32/21/358273221.db2.gz LTVCNCBLZUXZPT-SNVBAGLBSA-N 1 0 208.261 0.621 10 0 BCAERO Nc1ccc2c(c1)CCN1CC[NH2+]C[C@@H]21 ZINC000584625712 358294886 /nfs/dbraw/zinc/29/48/86/358294886.db2.gz QIAQBBZSSLPDPO-LBPRGKRZSA-N 1 0 203.289 0.771 10 0 BCAERO O=C(CN1CC[N@@H+]2CCCC[C@H]2C1)NC1CC1 ZINC000172801637 134269661 /nfs/dbraw/zinc/26/96/61/134269661.db2.gz LHPWFIIRJISNJN-LBPRGKRZSA-N 1 0 237.347 0.435 10 0 BCAERO C[C@H](C[S@@](C)=O)[NH2+][C@@H]1CCCC[C@H]1O ZINC000226237624 358336667 /nfs/dbraw/zinc/33/66/67/358336667.db2.gz LEINKAMVDGVCSK-NZHONMPCSA-N 1 0 219.350 0.647 10 0 BCAERO CO[C@H]1C[NH2+][C@@H](C(=O)N2CCSC[C@@H]2C)C1 ZINC000226400893 358339283 /nfs/dbraw/zinc/33/92/83/358339283.db2.gz MSGMXDWVCJLRIO-IVZWLZJFSA-N 1 0 244.360 0.327 10 0 BCAERO CCCS(=O)(=O)N(C)[C@H]1CCC[NH2+]CC1 ZINC000226463595 358339874 /nfs/dbraw/zinc/33/98/74/358339874.db2.gz RXFHOOPMGPHDJX-JTQLQIEISA-N 1 0 234.365 0.800 10 0 BCAERO CN([C@@H]1CCC[NH2+]CC1)S(=O)(=O)CC1CC1 ZINC000226463454 358340172 /nfs/dbraw/zinc/34/01/72/358340172.db2.gz ZQMGVXPODBKYJY-LLVKDONJSA-N 1 0 246.376 0.800 10 0 BCAERO CN1CCN(c2ccc(Cl)cn2)[C@@H](C[NH3+])C1 ZINC000226621156 358342078 /nfs/dbraw/zinc/34/20/78/358342078.db2.gz ICFPOLVQAHLBJV-JTQLQIEISA-N 1 0 240.738 0.814 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@@]1(C)CCOC1 ZINC000226696110 358342570 /nfs/dbraw/zinc/34/25/70/358342570.db2.gz RGQBPCCYXOMOBB-KKZNHRDASA-N 1 0 212.293 0.137 10 0 BCAERO CS[C@@H](CO)[C@@H](C)[NH2+]CC(C)(C)O ZINC000228373109 358374582 /nfs/dbraw/zinc/37/45/82/358374582.db2.gz NYNMMEADIDROBP-SFYZADRCSA-N 1 0 207.339 0.459 10 0 BCAERO C[C@H](O)C1CCN(C(=O)[C@@]2(C)CCC[NH2+]2)CC1 ZINC000227425931 358356551 /nfs/dbraw/zinc/35/65/51/358356551.db2.gz GHHIXGHSRPMCEB-GXFFZTMASA-N 1 0 240.347 0.748 10 0 BCAERO COC[C@H](NC(=O)[C@H]1CC[C@@H]([NH3+])C1)C(C)C ZINC000227807259 358363434 /nfs/dbraw/zinc/36/34/34/358363434.db2.gz KEYSCMURAHTZNK-AXFHLTTASA-N 1 0 228.336 0.901 10 0 BCAERO CCCCOC[C@H](O)C[NH2+]Cc1ccnn1C ZINC000227892584 358365181 /nfs/dbraw/zinc/36/51/81/358365181.db2.gz ZKJREEACELHGAX-GFCCVEGCSA-N 1 0 241.335 0.687 10 0 BCAERO CCCCOC[C@H](O)C[NH2+][C@H]1CCCOC1 ZINC000227892641 358365365 /nfs/dbraw/zinc/36/53/65/358365365.db2.gz LSGNVBCHPGAWMU-NWDGAFQWSA-N 1 0 231.336 0.933 10 0 BCAERO CCCCOC[C@H](O)C[NH2+]Cc1ccn(C)n1 ZINC000227895319 358366012 /nfs/dbraw/zinc/36/60/12/358366012.db2.gz DSSDIBGJUUTTRJ-GFCCVEGCSA-N 1 0 241.335 0.687 10 0 BCAERO CC(C)(C)OC[C@H](O)C[NH2+][C@@H]1C[C@@H](O)C1(C)C ZINC000228858654 358386477 /nfs/dbraw/zinc/38/64/77/358386477.db2.gz MTNADPIDUOOWIF-GMTAPVOTSA-N 1 0 245.363 0.911 10 0 BCAERO Cc1cc(NCC2CC[NH2+]CC2)n2ncnc2n1 ZINC000044509162 358388483 /nfs/dbraw/zinc/38/84/83/358388483.db2.gz ADXNWLGRGLWREW-UHFFFAOYSA-N 1 0 246.318 0.844 10 0 BCAERO COC[C@@H](O)CC[NH2+][C@@H]1CCCC[C@H]1O ZINC000230160526 358394745 /nfs/dbraw/zinc/39/47/45/358394745.db2.gz BACKFGGTGWHWEP-HBNTYKKESA-N 1 0 217.309 0.277 10 0 BCAERO C[NH2+][C@H](C)c1nc(-c2cc(OC)ncn2)no1 ZINC000230142139 358394817 /nfs/dbraw/zinc/39/48/17/358394817.db2.gz JCPBJKVSMPZCQA-ZCFIWIBFSA-N 1 0 235.247 0.816 10 0 BCAERO O=C(C[C@H]1CCC[NH2+]C1)N[C@H]1CCSC1 ZINC000231352398 358416793 /nfs/dbraw/zinc/41/67/93/358416793.db2.gz SMEZFORWSHYUSZ-ZJUUUORDSA-N 1 0 228.361 0.998 10 0 BCAERO CCCCOC[C@@H](O)C[NH2+][C@@H]1CCC[C@@H]1CO ZINC000231306477 358416811 /nfs/dbraw/zinc/41/68/11/358416811.db2.gz XQBHISQGNKRVDY-FRRDWIJNSA-N 1 0 245.363 0.915 10 0 BCAERO OC[C@H]1CN(CCC[C@@H]2CCOC2)CCO1 ZINC000400502058 491132827 /nfs/dbraw/zinc/13/28/27/491132827.db2.gz HEUKNPWLMTWSJW-VXGBXAGGSA-N 1 0 229.320 0.496 10 0 BCAERO C[NH+](C)C[C@@H]1CN(CCCF)CCO1 ZINC000130365534 358621211 /nfs/dbraw/zinc/62/12/11/358621211.db2.gz DDTQONQOTKYDCP-SNVBAGLBSA-N 1 0 204.289 0.608 10 0 BCAERO C[C@H]([NH2+]C[C@H]1CN(C)CCO1)[C@@H]1CCCO1 ZINC000219546313 134285426 /nfs/dbraw/zinc/28/54/26/134285426.db2.gz HIMJLAYQQBTKCQ-SRVKXCTJSA-N 1 0 228.336 0.474 10 0 BCAERO COCCNC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000130798104 358644463 /nfs/dbraw/zinc/64/44/63/358644463.db2.gz YKOJFZCYGVZLKL-QWRGUYRKSA-N 1 0 243.351 0.661 10 0 BCAERO NC(=O)c1ccc(NC2CC([NH3+])C2)nc1 ZINC000036268709 181298429 /nfs/dbraw/zinc/29/84/29/181298429.db2.gz OSAJZJDNNUNVFC-UHFFFAOYSA-N 1 0 206.249 0.082 10 0 BCAERO O=C(c1cnns1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000049516048 358693509 /nfs/dbraw/zinc/69/35/09/358693509.db2.gz CBLXVOSWGANQGK-MRVPVSSYSA-N 1 0 238.316 0.458 10 0 BCAERO O=C(c1ccc[nH]c1=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000049515969 358693643 /nfs/dbraw/zinc/69/36/43/358693643.db2.gz CTFPSBPNFQAGGO-SNVBAGLBSA-N 1 0 247.298 0.295 10 0 BCAERO FCCC[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000133793654 358768219 /nfs/dbraw/zinc/76/82/19/358768219.db2.gz IGPQSNYMFMWPIP-NSHDSACASA-N 1 0 216.300 0.753 10 0 BCAERO NC(=O)c1ccc(C[NH2+][C@H]2CCCNC2=O)cc1 ZINC000050395361 358726141 /nfs/dbraw/zinc/72/61/41/358726141.db2.gz DQRMGCFPQQPGSO-NSHDSACASA-N 1 0 247.298 0.154 10 0 BCAERO C[C@H]1OCC[C@H]1NC(=O)c1ccc(C[NH3+])o1 ZINC000134256441 358784722 /nfs/dbraw/zinc/78/47/22/358784722.db2.gz MIACUNAQZPMWJR-VXNVDRBHSA-N 1 0 224.260 0.646 10 0 BCAERO CC(C)CNC(=O)C[N@@H+]1CCC[C@@H]1CCCO ZINC000052762283 358792197 /nfs/dbraw/zinc/79/21/97/358792197.db2.gz AYWRNFFPYOOEPG-GFCCVEGCSA-N 1 0 242.363 0.996 10 0 BCAERO O=C1NCCN1CC[N@H+]1CCC[C@@H]1CCCO ZINC000052761770 358792380 /nfs/dbraw/zinc/79/23/80/358792380.db2.gz UKELQCIXGSQFOJ-LLVKDONJSA-N 1 0 241.335 0.249 10 0 BCAERO C[C@@H]1OCC[C@@H]1[NH2+]C[C@H](O)COC(C)(C)C ZINC000134540426 358794272 /nfs/dbraw/zinc/79/42/72/358794272.db2.gz SSLGXVKAQACWLY-DCAQKATOSA-N 1 0 231.336 0.929 10 0 BCAERO C[C@@H]1OCC[C@H]1[NH2+]C[C@H](O)COC(C)(C)C ZINC000134540380 358794341 /nfs/dbraw/zinc/79/43/41/358794341.db2.gz SSLGXVKAQACWLY-GARJFASQSA-N 1 0 231.336 0.929 10 0 BCAERO CCC(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000176891604 134294460 /nfs/dbraw/zinc/29/44/60/134294460.db2.gz LGJIFWRUCQZCQP-LLVKDONJSA-N 1 0 242.363 0.948 10 0 BCAERO CN(C)C(=O)CN(C)C(=O)[C@]1(C)CCCC[NH2+]1 ZINC000136143359 358864819 /nfs/dbraw/zinc/86/48/19/358864819.db2.gz WFUAIRQMINTZLT-LBPRGKRZSA-N 1 0 241.335 0.065 10 0 BCAERO Cc1ccncc1C[NH2+][C@@H]1CCCNC1=O ZINC000135458299 358839895 /nfs/dbraw/zinc/83/98/95/358839895.db2.gz HJTFGBQNUUBBFI-LLVKDONJSA-N 1 0 219.288 0.758 10 0 BCAERO C[C@@H](C[NH2+]C1CSC1)N1CCOCC1 ZINC000308674319 491137735 /nfs/dbraw/zinc/13/77/35/491137735.db2.gz VUKMYVCHZJPRBN-VIFPVBQESA-N 1 0 216.350 0.412 10 0 BCAERO CC[C@@H](NC(=O)[C@@H]1CNC(=O)C1)c1ncc[nH]1 ZINC000141582407 358932052 /nfs/dbraw/zinc/93/20/52/358932052.db2.gz QCIRYKHJLFPHIL-JGVFFNPUSA-N 1 0 236.275 0.113 10 0 BCAERO CCn1ccnc1C[NH2+][C@@H]1CCC(=O)N[C@@H]1C ZINC000393062505 259481871 /nfs/dbraw/zinc/48/18/71/259481871.db2.gz VIVVMBREOHNFJL-NXEZZACHSA-N 1 0 236.319 0.660 10 0 BCAERO C[C@@H]1OCC[C@@H]1[S@@](=O)[C@H]1CC[NH2+]C1 ZINC000306154281 358940268 /nfs/dbraw/zinc/94/02/68/358940268.db2.gz KFQLFNPUXMETSO-YFBYITSOSA-N 1 0 203.307 0.274 10 0 BCAERO C[C@H]1[C@@H]([NH2+]C2CCC2)CCS1(=O)=O ZINC000306192111 359019977 /nfs/dbraw/zinc/01/99/77/359019977.db2.gz RQWLNNYQVPAUKH-CBAPKCEASA-N 1 0 203.307 0.704 10 0 BCAERO CC1(C)CSC2(COCCOC2)[NH2+]1 ZINC000306200387 359028552 /nfs/dbraw/zinc/02/85/52/359028552.db2.gz INZYBLNHKGKILC-UHFFFAOYSA-N 1 0 203.307 0.845 10 0 BCAERO CCCn1cc(CN(C)CC[NH2+]C)cn1 ZINC000220342863 134302369 /nfs/dbraw/zinc/30/23/69/134302369.db2.gz BMZOOXOXJQRECM-UHFFFAOYSA-N 1 0 210.325 0.944 10 0 BCAERO C[NH2+][C@@H](C)C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000054076975 359002918 /nfs/dbraw/zinc/00/29/18/359002918.db2.gz ZMFKDVDTYBIDKY-YIZRAAEISA-N 1 0 200.282 0.014 10 0 BCAERO C[C@H](O)CCN(C)C(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000158336662 359003932 /nfs/dbraw/zinc/00/39/32/359003932.db2.gz ATVLEXWLPALJTC-GUBZILKMSA-N 1 0 214.309 0.343 10 0 BCAERO COCCNC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000246455645 359098094 /nfs/dbraw/zinc/09/80/94/359098094.db2.gz YKOJFZCYGVZLKL-GHMZBOCLSA-N 1 0 243.351 0.661 10 0 BCAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)c2cn[nH]c2)C1 ZINC000247013060 359184734 /nfs/dbraw/zinc/18/47/34/359184734.db2.gz HFGSDFSLRMUJFQ-GXSJLCMTSA-N 1 0 236.319 0.868 10 0 BCAERO O=C1OCC[C@@H]1N1CC[N@@H+]2CCC[C@H]2C1 ZINC000247038771 359187123 /nfs/dbraw/zinc/18/71/23/359187123.db2.gz DPKGGSFETOWQPA-UWVGGRQHSA-N 1 0 210.277 0.082 10 0 BCAERO COCCN1CC[N@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000247077130 359192852 /nfs/dbraw/zinc/19/28/52/359192852.db2.gz GVCBJWJRYWSJTG-CHWSQXEVSA-N 1 0 242.363 0.818 10 0 BCAERO C[C@H]1C[N@H+](CC(C)(C)O)C[C@H]1N1CCOCC1 ZINC000246525274 359143723 /nfs/dbraw/zinc/14/37/23/359143723.db2.gz ROMMKSYBPUADKP-NWDGAFQWSA-N 1 0 242.363 0.410 10 0 BCAERO CC(=O)CC[N@H+]1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000246613782 359151636 /nfs/dbraw/zinc/15/16/36/359151636.db2.gz YGRLQWKKMLHCMX-WCQYABFASA-N 1 0 240.347 0.618 10 0 BCAERO C[C@@H]1C[N@H+](CCCO)C[C@H]1N1CCOCC1 ZINC000246616312 359152547 /nfs/dbraw/zinc/15/25/47/359152547.db2.gz YLCRBDKYYLKNMP-VXGBXAGGSA-N 1 0 228.336 0.021 10 0 BCAERO C[C@@H]1C[C@@H]1C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000246802304 359166404 /nfs/dbraw/zinc/16/64/04/359166404.db2.gz AZQUPNYDZUBORN-VWYCJHECSA-N 1 0 226.320 0.431 10 0 BCAERO C([C@@H]1CCCO1)[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000246824303 359167771 /nfs/dbraw/zinc/16/77/71/359167771.db2.gz CKUVWJGKOXKAPN-OLZOCXBDSA-N 1 0 240.347 0.572 10 0 BCAERO Cn1cc([C@@H]2CC[N@@H+]([C@H]3CCN(C)C3=O)C2)cn1 ZINC000246886698 359173535 /nfs/dbraw/zinc/17/35/35/359173535.db2.gz GJVCEVFRNBNQFN-PWSUYJOCSA-N 1 0 248.330 0.440 10 0 BCAERO C[C@H]1CCCC[N@@H+]1C[C@@H](O)CN1CCCC1=O ZINC000247501391 359227872 /nfs/dbraw/zinc/22/78/72/359227872.db2.gz NQZBXRVPCXRLGY-NWDGAFQWSA-N 1 0 240.347 0.844 10 0 BCAERO C[C@@H]1CCCC[N@@H+]1C[C@@H](O)CN1CCCC1=O ZINC000247501392 359228464 /nfs/dbraw/zinc/22/84/64/359228464.db2.gz NQZBXRVPCXRLGY-VXGBXAGGSA-N 1 0 240.347 0.844 10 0 BCAERO CN(C(=O)CN1CC[N@@H+]2CCC[C@H]2C1)C1CC1 ZINC000247169301 359199051 /nfs/dbraw/zinc/19/90/51/359199051.db2.gz MVADFDFKGUZQID-LBPRGKRZSA-N 1 0 237.347 0.387 10 0 BCAERO C[C@H](O)CN1CC[N@H+](CCCCCO)C[C@@H]1C ZINC000247223948 359201271 /nfs/dbraw/zinc/20/12/71/359201271.db2.gz QSQWGNWGZLEXCV-STQMWFEESA-N 1 0 244.379 0.536 10 0 BCAERO CCn1c(C)nnc1CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000247235609 359203866 /nfs/dbraw/zinc/20/38/66/359203866.db2.gz RQIPIERHQVLTDB-LBPRGKRZSA-N 1 0 249.362 0.886 10 0 BCAERO COCCOCCN1CC[N@@H+]2CCC[C@H]2C1 ZINC000247279305 359207452 /nfs/dbraw/zinc/20/74/52/359207452.db2.gz XFBZFLVDEAVEPC-LBPRGKRZSA-N 1 0 228.336 0.429 10 0 BCAERO CS(=O)(=O)CCCN1CC[N@@H+]2CCC[C@H]2C1 ZINC000247383380 359216822 /nfs/dbraw/zinc/21/68/22/359216822.db2.gz WDTIPCPAJSKZGL-NSHDSACASA-N 1 0 246.376 0.201 10 0 BCAERO C[C@@H]1C[N@@H+](C[C@@](C)(O)C[NH3+])C[C@H](C)S1 ZINC000306213434 359307405 /nfs/dbraw/zinc/30/74/05/359307405.db2.gz WWPXKMNWLRRXHJ-AEJSXWLSSA-N 1 0 218.366 0.522 10 0 BCAERO CC(=O)NCCCN1CC[N@@H+]2CCCC[C@H]2C1 ZINC000248357879 359269893 /nfs/dbraw/zinc/26/98/93/359269893.db2.gz QAHBQDXHUMRZPK-ZDUSSCGKSA-N 1 0 239.363 0.683 10 0 BCAERO CCN(C)C(=O)N1CC[C@H]2OCC[NH2+][C@H]2C1 ZINC000404241963 359371411 /nfs/dbraw/zinc/37/14/11/359371411.db2.gz XTADXYQDVGQPFK-VHSXEESVSA-N 1 0 227.308 0.121 10 0 BCAERO COC[C@H](C)N1CC[C@H]2OCC[NH2+][C@@H]2C1 ZINC000404239832 359351401 /nfs/dbraw/zinc/35/14/01/359351401.db2.gz WOGNJKALLIOSAE-HBNTYKKESA-N 1 0 214.309 0.084 10 0 BCAERO COC[C@H](C)N1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC000404239829 359351633 /nfs/dbraw/zinc/35/16/33/359351633.db2.gz WOGNJKALLIOSAE-DCAQKATOSA-N 1 0 214.309 0.084 10 0 BCAERO CNC(=O)[C@H]([NH2+][C@H](C)[C@H](C)OC)C(C)C ZINC000308924054 491140313 /nfs/dbraw/zinc/14/03/13/491140313.db2.gz HSVWUVJBSQSIQJ-KXUCPTDWSA-N 1 0 216.325 0.770 10 0 BCAERO CN1CC[C@@H]([NH2+]C[C@@]2(O)CCSC2)C1 ZINC000306237669 359399372 /nfs/dbraw/zinc/39/93/72/359399372.db2.gz IJCXQTIOKXXZBP-ZJUUUORDSA-N 1 0 216.350 0.148 10 0 BCAERO C[NH2+][C@H](C)C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000054076976 359400921 /nfs/dbraw/zinc/40/09/21/359400921.db2.gz ZMFKDVDTYBIDKY-HLTSFMKQSA-N 1 0 200.282 0.014 10 0 BCAERO CN1CC[C@H]([NH2+][C@H]2CSC2(C)C)C1=O ZINC000306250775 359455454 /nfs/dbraw/zinc/45/54/54/359455454.db2.gz SHZWYLXZQGXFJV-YUMQZZPRSA-N 1 0 214.334 0.701 10 0 BCAERO [NH3+]CC(=O)NCC(F)(F)Br ZINC000306251698 359461172 /nfs/dbraw/zinc/46/11/72/359461172.db2.gz FBDHZSHPLLXUME-UHFFFAOYSA-N 1 0 217.013 0.049 10 0 BCAERO Cn1nnc(Br)c1[C@H]1C[C@H]1[NH3+] ZINC000306280954 359512226 /nfs/dbraw/zinc/51/22/26/359512226.db2.gz UXSHNSVEMYACEH-IUYQGCFVSA-N 1 0 217.070 0.392 10 0 BCAERO CO[C@H]1COC[C@@H]1[NH2+]C1CCOCC1 ZINC000306298254 359539402 /nfs/dbraw/zinc/53/94/02/359539402.db2.gz DLNNHQBSJGNYIJ-UWVGGRQHSA-N 1 0 201.266 0.169 10 0 BCAERO C[C@@H]1C[NH2+]CC[C@@H]1CNC(=O)C(F)(F)F ZINC000306296974 359541701 /nfs/dbraw/zinc/54/17/01/359541701.db2.gz AXKYLHMQBLKASG-RNFRBKRXSA-N 1 0 224.226 0.911 10 0 BCAERO CCn1cc(C[NH2+][C@H]2CCOC[C@@H]2O)cn1 ZINC000623764531 359527340 /nfs/dbraw/zinc/52/73/40/359527340.db2.gz GGOJXDZOCDNROH-QWRGUYRKSA-N 1 0 225.292 0.142 10 0 BCAERO c1nsc(N2CCC[C@H]3C[NH2+]C[C@H]32)n1 ZINC000299999565 359592871 /nfs/dbraw/zinc/59/28/71/359592871.db2.gz WTPIJFLTHLBYIQ-JGVFFNPUSA-N 1 0 210.306 0.726 10 0 BCAERO CC(C)[C@@H]1CN(C(=O)[C@@H]2C[NH2+]C[C@H]2C)CCO1 ZINC000423782110 192835761 /nfs/dbraw/zinc/83/57/61/192835761.db2.gz YYNHMNYLRVGPAQ-UTUOFQBUSA-N 1 0 240.347 0.725 10 0 BCAERO Cc1nnsc1C[C@]1(C[NH3+])CCCO1 ZINC000306305394 359587683 /nfs/dbraw/zinc/58/76/83/359587683.db2.gz IPIQTCYBETWUNN-VIFPVBQESA-N 1 0 213.306 0.897 10 0 BCAERO COc1cc([C@]2(O)CC[NH2+]C2)sn1 ZINC000306307307 359589954 /nfs/dbraw/zinc/58/99/54/359589954.db2.gz QUYZHOFLNCACLU-QMMMGPOBSA-N 1 0 200.263 0.333 10 0 BCAERO CCc1nc(C[NH2+][C@H]2CCOC[C@H]2O)cs1 ZINC000623765053 359639935 /nfs/dbraw/zinc/63/99/35/359639935.db2.gz NCSDRWBFRXNMQM-VHSXEESVSA-N 1 0 242.344 0.945 10 0 BCAERO CCOC(=O)CCNC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000089461153 359646030 /nfs/dbraw/zinc/64/60/30/359646030.db2.gz ADUIFLXVNVSQDZ-UWVGGRQHSA-N 1 0 242.319 0.431 10 0 BCAERO O=C(N[C@H]1CCCSC1)[C@H]1CC[NH2+]1 ZINC000306351285 359677741 /nfs/dbraw/zinc/67/77/41/359677741.db2.gz XFWFJGUUGXRRTL-JGVFFNPUSA-N 1 0 200.307 0.360 10 0 BCAERO C[C@@H](C[N@@H+]1CCC[C@H](O)CC1)C(N)=S ZINC000306371295 359706228 /nfs/dbraw/zinc/70/62/28/359706228.db2.gz CQTHDQPCHSWRPE-IUCAKERBSA-N 1 0 216.350 0.755 10 0 BCAERO CNC(=S)N[C@H]1CC[C@@H]([NH+](C)C)C1 ZINC000306390035 359747019 /nfs/dbraw/zinc/74/70/19/359747019.db2.gz XVKZXUYNPJXACS-JGVFFNPUSA-N 1 0 201.339 0.563 10 0 BCAERO C[C@@H]1C2(CCS1(=O)=O)CC[NH2+]CC2 ZINC000306405459 359793369 /nfs/dbraw/zinc/79/33/69/359793369.db2.gz AIOLQBFGEVYOPL-MRVPVSSYSA-N 1 0 203.307 0.563 10 0 BCAERO [NH3+]C1(C(=O)Nn2cc(Br)cn2)CC1 ZINC000306394733 359760734 /nfs/dbraw/zinc/76/07/34/359760734.db2.gz GIHALLOBXUUQPJ-UHFFFAOYSA-N 1 0 245.080 0.207 10 0 BCAERO COC[C@@H](C)[NH2+][C@@H](C)C(=O)N(C)C(C)C ZINC000309095216 491144745 /nfs/dbraw/zinc/14/47/45/491144745.db2.gz DRFKKJDTQXFNMH-ZJUUUORDSA-N 1 0 216.325 0.866 10 0 BCAERO O=[S@]([C@@H]1CC[NH2+]C1)C1CCOCC1 ZINC000306413267 359823037 /nfs/dbraw/zinc/82/30/37/359823037.db2.gz SGEGFEHYLWFSLC-RNCFNFMXSA-N 1 0 203.307 0.276 10 0 BCAERO C[C@]1(CNC(=O)[C@H]2CCC[NH2+]C2)CCCO1 ZINC000087254138 359904265 /nfs/dbraw/zinc/90/42/65/359904265.db2.gz OUEZSVPKGYRTDS-CMPLNLGQSA-N 1 0 226.320 0.671 10 0 BCAERO C[C@@H]1CN(C(=O)c2cncc(O)c2)C[C@@H]1[NH+](C)C ZINC000089710422 360035954 /nfs/dbraw/zinc/03/59/54/360035954.db2.gz LDYYSUHECOAUJX-SKDRFNHKSA-N 1 0 249.314 0.809 10 0 BCAERO NC(=O)c1ccc(NCC[C@H]2CCC[NH2+]C2)nc1 ZINC000110793078 181299908 /nfs/dbraw/zinc/29/99/08/181299908.db2.gz JVBGRMQSWHUNOF-SNVBAGLBSA-N 1 0 248.330 0.982 10 0 BCAERO CC[C@H]([NH3+])C(=O)Nc1cc(Cl)[nH]n1 ZINC000306469747 360087954 /nfs/dbraw/zinc/08/79/54/360087954.db2.gz PVJYJFYOSPLWKT-BYPYZUCNSA-N 1 0 202.645 0.739 10 0 BCAERO [NH3+][C@H](CN1CCCS1(=O)=O)C1CCC1 ZINC000306475659 360109606 /nfs/dbraw/zinc/10/96/06/360109606.db2.gz XHPYYTJDJBUDNC-SECBINFHSA-N 1 0 218.322 0.149 10 0 BCAERO CCN1CCO[C@@H](C(=O)c2ccc[nH]2)C1 ZINC000306476092 360110514 /nfs/dbraw/zinc/11/05/14/360110514.db2.gz XNTAQAIIXHAPJX-SNVBAGLBSA-N 1 0 208.261 0.918 10 0 BCAERO [NH3+][C@@H]1CC[C@@H](N2CCC[S@@](=O)CC2)C1 ZINC000306490533 360202080 /nfs/dbraw/zinc/20/20/80/360202080.db2.gz VGIZHDBGWVSMDX-GPCCPHFNSA-N 1 0 216.350 0.321 10 0 BCAERO [NH3+][C@@H]1CC[C@H](N2CCC[S@](=O)CC2)C1 ZINC000306490530 360202363 /nfs/dbraw/zinc/20/23/63/360202363.db2.gz VGIZHDBGWVSMDX-BFVZDQMLSA-N 1 0 216.350 0.321 10 0 BCAERO CC[C@@H]1C[NH2+]C[C@@H]1N1CCS(=O)CC1 ZINC000161031304 360160710 /nfs/dbraw/zinc/16/07/10/360160710.db2.gz XWUNEDSXWGPNIV-ZJUUUORDSA-N 1 0 216.350 0.049 10 0 BCAERO CN(C)[C@H](C[NH3+])c1c(Br)nnn1C ZINC000306490956 360206611 /nfs/dbraw/zinc/20/66/11/360206611.db2.gz ZURCHJQSLCRCCI-RXMQYKEDSA-N 1 0 248.128 0.139 10 0 BCAERO C[C@H]1CN(CC(C)(C)[NH3+])CC[S@]1=O ZINC000306496255 360224362 /nfs/dbraw/zinc/22/43/62/360224362.db2.gz DGNKEHLPLGXNQY-ISVAXAHUSA-N 1 0 204.339 0.177 10 0 BCAERO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)C(C)(C)F ZINC000306497922 360234412 /nfs/dbraw/zinc/23/44/12/360234412.db2.gz CMCMQUUNMZCRNS-SFYZADRCSA-N 1 0 202.273 0.991 10 0 BCAERO [NH3+]C[C@H]1CC(=O)N([C@H]2CCSC2)C1 ZINC000231418046 360273388 /nfs/dbraw/zinc/27/33/88/360273388.db2.gz XAGILSYJZJJRJG-SFYZADRCSA-N 1 0 200.307 0.299 10 0 BCAERO CC[C@]1(C(=O)c2cn(C)nn2)CC[NH2+]C1 ZINC000306515523 360342452 /nfs/dbraw/zinc/34/24/52/360342452.db2.gz DNEKRIYUOJWGRU-JTQLQIEISA-N 1 0 208.265 0.388 10 0 BCAERO CCOC[C@@H](O)CN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000094440071 360308666 /nfs/dbraw/zinc/30/86/66/360308666.db2.gz XGUQMSKIRBPKGJ-OLZOCXBDSA-N 1 0 242.363 0.554 10 0 BCAERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)NCc1cnn(C)c1 ZINC000094647981 360313923 /nfs/dbraw/zinc/31/39/23/360313923.db2.gz CEHXRNLDICLWDA-GXSJLCMTSA-N 1 0 236.319 0.424 10 0 BCAERO Cc1nnc2c(N[C@@H](C)CCC[NH3+])nccn12 ZINC000094948170 360328659 /nfs/dbraw/zinc/32/86/59/360328659.db2.gz AXMZUHPLLAMJNH-QMMMGPOBSA-N 1 0 234.307 0.972 10 0 BCAERO C[C@@H]1C[NH+]([C@@H]2COC[C@@H]2O)C[C@@H](C)S1 ZINC000306530431 360377930 /nfs/dbraw/zinc/37/79/30/360377930.db2.gz DLWNYZGEEKONHZ-KYXWUPHJSA-N 1 0 217.334 0.572 10 0 BCAERO O=C1C[C@H]([NH2+]CCF)[C@@H]2CCCCN12 ZINC000306532566 360392323 /nfs/dbraw/zinc/39/23/23/360392323.db2.gz GSZILCDFEXOSGL-IUCAKERBSA-N 1 0 200.257 0.699 10 0 BCAERO O=C1C[C@@H]([NH2+]CCF)[C@@H]2CCCCN12 ZINC000306532564 360392455 /nfs/dbraw/zinc/39/24/55/360392455.db2.gz GSZILCDFEXOSGL-BDAKNGLRSA-N 1 0 200.257 0.699 10 0 BCAERO C[C@@]1(N[S@@](=O)C2CCCC2)CC[NH2+]C1 ZINC000306534230 360393492 /nfs/dbraw/zinc/39/34/92/360393492.db2.gz DMYGJPLOLHGULT-YGRLFVJLSA-N 1 0 216.350 0.934 10 0 BCAERO CCOCC[NH2+][C@@H]1CCN(C(C)=O)C[C@H]1C ZINC000309414969 491148931 /nfs/dbraw/zinc/14/89/31/491148931.db2.gz CLIRWPSEERLZNC-ZYHUDNBSSA-N 1 0 228.336 0.869 10 0 BCAERO C[C@@H]1CSC(NCc2cnnn2C)=[NH+]1 ZINC000306548281 360418796 /nfs/dbraw/zinc/41/87/96/360418796.db2.gz CSMJLAJFFAIHQH-ZCFIWIBFSA-N 1 0 211.294 0.396 10 0 BCAERO C[NH+]1CC(CNC2N=NC(=S)S2)C1 ZINC000306559373 360433987 /nfs/dbraw/zinc/43/39/87/360433987.db2.gz LISRNEKDDWNXRY-UHFFFAOYSA-N 1 0 216.335 0.800 10 0 BCAERO Cn1cnc(C(=O)C[C@@H]2CCC[NH2+]C2)c1 ZINC000306559139 360434035 /nfs/dbraw/zinc/43/40/35/360434035.db2.gz QETAJFJRAMSKKM-VIFPVBQESA-N 1 0 207.277 0.993 10 0 BCAERO CC(C)[S@](=O)N1CC[NH2+][C@@H](C)[C@@H]1C ZINC000306560419 360435024 /nfs/dbraw/zinc/43/50/24/360435024.db2.gz MMPSVVKZOWNSBD-RVBZMBCESA-N 1 0 204.339 0.741 10 0 BCAERO C[C@@H]1[C@@H]([NH3+])CCCN1CC[S@](C)=O ZINC000306560120 360435232 /nfs/dbraw/zinc/43/52/32/360435232.db2.gz BANZJAVARPMESG-ZDMBXUJBSA-N 1 0 204.339 0.177 10 0 BCAERO C[C@@H](CN)[NH2+]CC1CN(C(=O)OC(C)(C)C)C1 ZINC000306579876 360472973 /nfs/dbraw/zinc/47/29/73/360472973.db2.gz NIPKBWFJDGOVRC-VIFPVBQESA-N 1 0 243.351 0.790 10 0 BCAERO C[C@@H]1C[C@H](N2CC[C@H]([NH3+])C2=O)CS1 ZINC000306583760 360482104 /nfs/dbraw/zinc/48/21/04/360482104.db2.gz PTQOUHAOEWFTNB-CSMHCCOUSA-N 1 0 200.307 0.440 10 0 BCAERO C[C@@H]1[C@@H]([NH3+])CCN1S(=O)(=O)C(C)(C)C ZINC000306583061 360482118 /nfs/dbraw/zinc/48/21/18/360482118.db2.gz DVSINFXGLCLZOA-SFYZADRCSA-N 1 0 220.338 0.536 10 0 BCAERO C[C@H]1[C@@H]([NH3+])CCN1S(=O)(=O)C(C)(C)C ZINC000306583063 360482292 /nfs/dbraw/zinc/48/22/92/360482292.db2.gz DVSINFXGLCLZOA-YUMQZZPRSA-N 1 0 220.338 0.536 10 0 BCAERO C[C@H]1CC[C@@H](C(=O)c2cnn(C)n2)C[NH2+]1 ZINC000306588107 360491983 /nfs/dbraw/zinc/49/19/83/360491983.db2.gz VJDDAHFLFDIKLO-JGVFFNPUSA-N 1 0 208.265 0.386 10 0 BCAERO C[C@@H]1C[C@H](C)N([S@@](C)=O)C[C@H]1C[NH3+] ZINC000306589150 360494721 /nfs/dbraw/zinc/49/47/21/360494721.db2.gz WRHAJRUIXHLJEB-LOKDSWTASA-N 1 0 204.339 0.585 10 0 BCAERO NC(=O)c1ccc(N[C@H]2CCCC[C@H]2[NH3+])nc1 ZINC000038050976 181301479 /nfs/dbraw/zinc/30/14/79/181301479.db2.gz IKVNEICVHAGAJS-ZJUUUORDSA-N 1 0 234.303 0.862 10 0 BCAERO Cc1nnc(C(=O)C2=CC[C@@H]([NH3+])C2)n1C ZINC000306578643 360468710 /nfs/dbraw/zinc/46/87/10/360468710.db2.gz MPTUHNHMLUOYJP-HTQZYQBOSA-N 1 0 206.249 0.210 10 0 BCAERO C[C@H]([NH3+])[C@](C)(O)c1c(Br)nnn1C ZINC000306600364 360520508 /nfs/dbraw/zinc/52/05/08/360520508.db2.gz SVRPMTFNSUKMHI-FFWSUHOLSA-N 1 0 249.112 0.132 10 0 BCAERO O=C(NCCO)[C@@H]1CCCCCC[NH2+]1 ZINC000300825618 360524321 /nfs/dbraw/zinc/52/43/21/360524321.db2.gz BVPPNWMEPMRKMM-VIFPVBQESA-N 1 0 200.282 0.017 10 0 BCAERO Cn1ncc(Cl)c1[C@@H](O)C1C[NH2+]C1 ZINC000306600727 360528109 /nfs/dbraw/zinc/52/81/09/360528109.db2.gz UFBRJBOYVNGOLD-QMMMGPOBSA-N 1 0 201.657 0.326 10 0 BCAERO C[C@@H]1C[NH2+]C[C@@]12CCCS(=O)(=O)C2 ZINC000306608615 360560831 /nfs/dbraw/zinc/56/08/31/360560831.db2.gz JIULBOGJYJBAPD-RKDXNWHRSA-N 1 0 203.307 0.421 10 0 BCAERO [NH3+][C@@H]1CC[C@H]2CN(C(=O)C(F)(F)F)C[C@@H]12 ZINC000306609135 360587593 /nfs/dbraw/zinc/58/75/93/360587593.db2.gz XSOBBJUEVIMDKZ-RRKCRQDMSA-N 1 0 222.210 0.744 10 0 BCAERO NC(=O)c1cccc(OC2CC[NH2+]CC2)c1 ZINC000057835511 181305533 /nfs/dbraw/zinc/30/55/33/181305533.db2.gz SPHMFKVEQYBERA-UHFFFAOYSA-N 1 0 220.272 0.916 10 0 BCAERO NC(=O)c1ccccc1N[C@@H]1CC[NH2+]C1 ZINC000052093674 181306631 /nfs/dbraw/zinc/30/66/31/181306631.db2.gz BDSBBZCVFBUYIU-MRVPVSSYSA-N 1 0 205.261 0.559 10 0 BCAERO NC(=O)c1cccnc1OC1CCC([NH3+])CC1 ZINC000055143562 181307542 /nfs/dbraw/zinc/30/75/42/181307542.db2.gz DBAFIBVRTOAARO-UHFFFAOYSA-N 1 0 235.287 0.829 10 0 BCAERO NC(=O)c1ccccc1OC[C@@H]1CCC[NH2+]1 ZINC000043496297 181306813 /nfs/dbraw/zinc/30/68/13/181306813.db2.gz JBDWZMLAANIKHT-VIFPVBQESA-N 1 0 220.272 0.916 10 0 BCAERO NC(=O)c1ccnc(NC2CC([NH3+])C2)c1 ZINC000036268711 181307603 /nfs/dbraw/zinc/30/76/03/181307603.db2.gz LSGZQJAVZNCWCH-UHFFFAOYSA-N 1 0 206.249 0.082 10 0 BCAERO NC(=O)c1cccnc1N[C@@H]1CC[N@@H+]2CCC[C@H]12 ZINC000049569112 181307604 /nfs/dbraw/zinc/30/76/04/181307604.db2.gz PJHOTSCKZPAUKA-GHMZBOCLSA-N 1 0 246.314 0.829 10 0 BCAERO NC(=O)c1ccnc(O[C@H]2CCC[NH2+]C2)c1 ZINC000051872815 181307735 /nfs/dbraw/zinc/30/77/35/181307735.db2.gz KTUTVABSYVUNMZ-VIFPVBQESA-N 1 0 221.260 0.311 10 0 BCAERO NC(=S)CC[N@@H+]1CCCC[C@@H]1CCO ZINC000019481033 181315637 /nfs/dbraw/zinc/31/56/37/181315637.db2.gz BIRZRGPSSGJOFD-SECBINFHSA-N 1 0 216.350 0.900 10 0 BCAERO C[C@H]1CN(C(=O)C[NH2+]CC2CC2)CCS1 ZINC000155692146 360911914 /nfs/dbraw/zinc/91/19/14/360911914.db2.gz JKLQPOZMPIJZLC-VIFPVBQESA-N 1 0 228.361 0.950 10 0 BCAERO CC(C)(O)C[NH2+][C@@H]1CCCC[C@H]1C(N)=O ZINC000184841594 219872665 /nfs/dbraw/zinc/87/26/65/219872665.db2.gz POKVCJVETQINOO-RKDXNWHRSA-N 1 0 214.309 0.391 10 0 BCAERO CCC[N@@H+]1CC[C@H](CO)[C@H](NC(=O)C2CC2)C1 ZINC000169786470 361115427 /nfs/dbraw/zinc/11/54/27/361115427.db2.gz ZGSMIJJQEAMYFD-VXGBXAGGSA-N 1 0 240.347 0.605 10 0 BCAERO C[C@@H](NC(=O)NCC[NH+](C)C)[C@@H]1CCCO1 ZINC000133456324 491154744 /nfs/dbraw/zinc/15/47/44/491154744.db2.gz AKLWRZZAHNQYLS-ZJUUUORDSA-N 1 0 229.324 0.415 10 0 BCAERO [NH3+]C1(C(=O)N2CCn3ccnc3C2)CCCC1 ZINC000062254788 181324845 /nfs/dbraw/zinc/32/48/45/181324845.db2.gz HCTBIQYSRDHWNU-UHFFFAOYSA-N 1 0 234.303 0.497 10 0 BCAERO [NH3+]C1(C(=O)N2CCCC[C@H]2CO)CCCC1 ZINC000037479525 181324487 /nfs/dbraw/zinc/32/44/87/181324487.db2.gz LJGHRFOENNKBMZ-JTQLQIEISA-N 1 0 226.320 0.631 10 0 BCAERO CC(C)(C)[C@@H](C(N)=O)N1CCC[NH2+]CC1 ZINC000041051720 361207039 /nfs/dbraw/zinc/20/70/39/361207039.db2.gz IIXHRTYLMCRNBL-SECBINFHSA-N 1 0 213.325 0.182 10 0 BCAERO [NH3+]C1(C(=O)NCCc2ccccc2)CCOCC1 ZINC000127709739 181326407 /nfs/dbraw/zinc/32/64/07/181326407.db2.gz CHBVTEDYGFYEKG-UHFFFAOYSA-N 1 0 248.326 0.853 10 0 BCAERO CN(C)c1ccc(C(=O)C2([NH3+])CC2)cn1 ZINC000306624032 361262825 /nfs/dbraw/zinc/26/28/25/361262825.db2.gz XHUWBPVVVLOIDH-UHFFFAOYSA-N 1 0 205.261 0.822 10 0 BCAERO C[C@@H]1CN([C@@H](C[NH3+])C(F)(F)F)C[C@H]1O ZINC000306628533 361298393 /nfs/dbraw/zinc/29/83/93/361298393.db2.gz JOPRJXJKCBXIHF-QYNIQEEDSA-N 1 0 212.215 0.189 10 0 BCAERO [NH3+]C1(C(=O)Nc2ccccc2O)CCOCC1 ZINC000127965270 181329054 /nfs/dbraw/zinc/32/90/54/181329054.db2.gz YNGZTMLOIMJLGJ-UHFFFAOYSA-N 1 0 236.271 0.839 10 0 BCAERO CCc1nnc(CN2CCC[C@@H]2C[NH3+])n1C ZINC000579232559 366740698 /nfs/dbraw/zinc/74/06/98/366740698.db2.gz GWTZTHVUKPEZIV-SECBINFHSA-N 1 0 223.324 0.301 10 0 BCAERO CCc1nnc(CN2CCC[C@H]2C[NH3+])n1C ZINC000579232560 366740965 /nfs/dbraw/zinc/74/09/65/366740965.db2.gz GWTZTHVUKPEZIV-VIFPVBQESA-N 1 0 223.324 0.301 10 0 BCAERO O=C(N[C@@H]1CC[NH2+]C1)[C@@H]1CCSC1 ZINC000069986694 361322569 /nfs/dbraw/zinc/32/25/69/361322569.db2.gz ZCKSPKKJPRXVRM-HTQZYQBOSA-N 1 0 200.307 0.218 10 0 BCAERO [NH3+][C@@H]1CCN(C(=O)[C@H]2CCSC2)C1 ZINC000069986667 361322694 /nfs/dbraw/zinc/32/26/94/361322694.db2.gz RSQIWEMFCOKAQF-JGVFFNPUSA-N 1 0 200.307 0.299 10 0 BCAERO [NH3+]C1(C(=O)Nc2ncccc2O)CCOCC1 ZINC000135893045 181329897 /nfs/dbraw/zinc/32/98/97/181329897.db2.gz TZTSUXHHSCJVOY-UHFFFAOYSA-N 1 0 237.259 0.234 10 0 BCAERO [NH3+]C1(CN2C(=O)COC2=O)CCCCC1 ZINC000169726503 181330674 /nfs/dbraw/zinc/33/06/74/181330674.db2.gz MSZJWCXMFSLVHE-UHFFFAOYSA-N 1 0 212.249 0.627 10 0 BCAERO CC[C@@H](CO)[NH2+]Cc1cnc2ccnn2c1 ZINC000381551678 361480886 /nfs/dbraw/zinc/48/08/86/361480886.db2.gz NAWJPLWGKODMHT-JTQLQIEISA-N 1 0 220.276 0.590 10 0 BCAERO O[C@H](C[NH2+][C@@H]1CCOC[C@@H]1O)CC1CCCC1 ZINC000629608554 361495856 /nfs/dbraw/zinc/49/58/56/361495856.db2.gz JFTXVHPYEYWLIQ-XQQFMLRXSA-N 1 0 243.347 0.667 10 0 BCAERO CO[C@H](C)[C@@H](C)[NH2+]C1CCN(CCO)CC1 ZINC000309965708 491158602 /nfs/dbraw/zinc/15/86/02/491158602.db2.gz NJFVJIMSIXSMDT-GHMZBOCLSA-N 1 0 230.352 0.456 10 0 BCAERO CC(C)(C)[C@H](O)C[NH2+][C@H]1CCOC[C@H]1O ZINC000629609013 361497262 /nfs/dbraw/zinc/49/72/62/361497262.db2.gz SMWLGIWMALKYKJ-IVZWLZJFSA-N 1 0 217.309 0.133 10 0 BCAERO C[NH+]1CCC(C(=O)NC[C@@H](O)C(C)(C)C)CC1 ZINC000433967761 201199821 /nfs/dbraw/zinc/19/98/21/201199821.db2.gz FLKYNRNUEANAAK-LLVKDONJSA-N 1 0 242.363 0.851 10 0 BCAERO [NH3+]C1CCC(C(=O)NCc2cc[nH]n2)CC1 ZINC000041016283 181340780 /nfs/dbraw/zinc/34/07/80/181340780.db2.gz LVSWVAUNHQEIGO-UHFFFAOYSA-N 1 0 222.292 0.543 10 0 BCAERO [NH3+]C1CCC(C(=O)NC2CCC(O)CC2)CC1 ZINC000037622735 181340789 /nfs/dbraw/zinc/34/07/89/181340789.db2.gz XRRRREVWGJKNTA-UHFFFAOYSA-N 1 0 240.347 0.924 10 0 BCAERO [NH3+]C1CCC(C(=O)N2CCC[C@@H]2CO)CC1 ZINC000042434823 181340332 /nfs/dbraw/zinc/34/03/32/181340332.db2.gz UWZBKNODPYHYAP-VQXHTEKXSA-N 1 0 226.320 0.487 10 0 BCAERO [NH3+]C1CC(NC(=O)Cc2cccnc2)C1 ZINC000054291724 181340419 /nfs/dbraw/zinc/34/04/19/181340419.db2.gz PAHLYTAPBVNTTR-UHFFFAOYSA-N 1 0 205.261 0.230 10 0 BCAERO [NH3+]C1CCC(N2CCCS2(=O)=O)CC1 ZINC000036880992 181341734 /nfs/dbraw/zinc/34/17/34/181341734.db2.gz VFTHSCUBKVMHLU-UHFFFAOYSA-N 1 0 218.322 0.292 10 0 BCAERO O=C1CC[C@H](C[NH2+][C@H]2CCSC2)N1 ZINC000070628083 361681667 /nfs/dbraw/zinc/68/16/67/361681667.db2.gz NTLKENPTVGSXEW-SFYZADRCSA-N 1 0 200.307 0.360 10 0 BCAERO [NH3+]C1CCN(CCO[C@@H]2CCCCO2)CC1 ZINC000042188294 181343696 /nfs/dbraw/zinc/34/36/96/181343696.db2.gz YTPPVOQLAJBVFA-GFCCVEGCSA-N 1 0 228.336 0.953 10 0 BCAERO [NH3+]C1CCN(c2nnnn2-c2ccccc2)CC1 ZINC000035149956 181344581 /nfs/dbraw/zinc/34/45/81/181344581.db2.gz KJIAXRDPGRIDSL-UHFFFAOYSA-N 1 0 244.302 0.590 10 0 BCAERO O=C([C@H]1CCSC1)N1CCC[NH2+]CC1 ZINC000070651429 361696760 /nfs/dbraw/zinc/69/67/60/361696760.db2.gz VVYFVFQWUPFFSN-VIFPVBQESA-N 1 0 214.334 0.561 10 0 BCAERO CC1CC[NH+](CCSC[C@@H](O)CO)CC1 ZINC000155285700 201313624 /nfs/dbraw/zinc/31/36/24/201313624.db2.gz YUAPFOSAKYSAQG-NSHDSACASA-N 1 0 233.377 0.805 10 0 BCAERO CC1CC[NH+](CCSC[C@H](O)CO)CC1 ZINC000155285606 201314981 /nfs/dbraw/zinc/31/49/81/201314981.db2.gz YUAPFOSAKYSAQG-LLVKDONJSA-N 1 0 233.377 0.805 10 0 BCAERO NC(=[NH2+])C1CCN(c2nncs2)CC1 ZINC000070664166 361707492 /nfs/dbraw/zinc/70/74/92/361707492.db2.gz HYBNMTABEBWILF-UHFFFAOYSA-N 1 0 211.294 0.690 10 0 BCAERO [NH3+]CC(=O)N1CCC2(C1)CCC(CO)CC2 ZINC000095077466 181347268 /nfs/dbraw/zinc/34/72/68/181347268.db2.gz GTQLKYKPIBFBPQ-UHFFFAOYSA-N 1 0 226.320 0.346 10 0 BCAERO [NH3+]CC(=O)N(C[C@@H]1CCCO1)C[C@@H]1CCCO1 ZINC000037820519 181348861 /nfs/dbraw/zinc/34/88/61/181348861.db2.gz ROGOXSSSGKPKFY-QWRGUYRKSA-N 1 0 242.319 0.132 10 0 BCAERO CNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C(C)=O)C1 ZINC000224870870 363856139 /nfs/dbraw/zinc/85/61/39/363856139.db2.gz JNFAQCZNNXFIRG-PSASIEDQSA-N 1 0 212.293 0.422 10 0 BCAERO C[NH2+]C[C@H]1OCCN(C)[C@H]1c1cnn(C)c1 ZINC000069797505 541304190 /nfs/dbraw/zinc/30/41/90/541304190.db2.gz GUUUFGPKSXSYCA-MNOVXSKESA-N 1 0 224.308 0.011 10 0 BCAERO C[NH2+]C[C@@H]1OCCN(C)[C@@H]1c1cnn(C)c1 ZINC000069797510 541304261 /nfs/dbraw/zinc/30/42/61/541304261.db2.gz GUUUFGPKSXSYCA-WDEREUQCSA-N 1 0 224.308 0.011 10 0 BCAERO COC(OC)[C@@H]1CC[NH+]=C2N[C@H](C)CN21 ZINC000234575886 541311608 /nfs/dbraw/zinc/31/16/08/541311608.db2.gz AZXNRDUCHMIHLF-SFYZADRCSA-N 1 0 213.281 0.027 10 0 BCAERO C[C@H](C[NH3+])[C@@H](O)c1cnn(C)c1Br ZINC000306806354 541314321 /nfs/dbraw/zinc/31/43/21/541314321.db2.gz JKYCEILQHLBUHT-IYSWYEEDSA-N 1 0 248.124 0.811 10 0 BCAERO C[C@@H]1COC[C@H](CC(=O)[C@@H]2CCCO2)[NH2+]1 ZINC000307068717 541314812 /nfs/dbraw/zinc/31/48/12/541314812.db2.gz XKEFKJKEZLEENZ-YWVKMMECSA-N 1 0 213.277 0.502 10 0 BCAERO [NH3+]CC(=O)NCC(=O)Nc1cccc(Cl)c1 ZINC000037481740 181352173 /nfs/dbraw/zinc/35/21/73/181352173.db2.gz YPBLKMRGXHQQFF-UHFFFAOYSA-N 1 0 241.678 0.353 10 0 BCAERO C[C@H]1CCN(CCC(C)(C)O)C[C@H]1[NH3+] ZINC000252609716 364014467 /nfs/dbraw/zinc/01/44/67/364014467.db2.gz UCVOGPRXVDRZCG-VHSXEESVSA-N 1 0 200.326 0.817 10 0 BCAERO NC(=O)c1ccc(NC(=O)C[NH3+])cc1Cl ZINC000037046962 181355046 /nfs/dbraw/zinc/35/50/46/181355046.db2.gz LGHLNARCHNGHGN-UHFFFAOYSA-N 1 0 227.651 0.336 10 0 BCAERO COCCOCCN1C[C@H](OC)C[C@]1(C)C[NH3+] ZINC000630359077 364076602 /nfs/dbraw/zinc/07/66/02/364076602.db2.gz KTUFGIONKJUSAE-VXGBXAGGSA-N 1 0 246.351 0.088 10 0 BCAERO CO[C@H]1CN(Cc2cc(C)on2)[C@](C)(C[NH3+])C1 ZINC000630358794 364079659 /nfs/dbraw/zinc/07/96/59/364079659.db2.gz BUHGYDOPXQWRGT-NEPJUHHUSA-N 1 0 239.319 0.921 10 0 BCAERO COCCCCN1C[C@H](OC)C[C@@]1(C)C[NH3+] ZINC000630357203 364079910 /nfs/dbraw/zinc/07/99/10/364079910.db2.gz CPHZRQBPORIQQC-NEPJUHHUSA-N 1 0 230.352 0.851 10 0 BCAERO CO[C@@H]1CN(C(=O)CC2CC2)[C@](C)(C[NH3+])C1 ZINC000630367953 364084851 /nfs/dbraw/zinc/08/48/51/364084851.db2.gz OONWBDWPJJSUMJ-JQWIXIFHSA-N 1 0 226.320 0.751 10 0 BCAERO CO[C@H]1CN(C(=O)c2ccon2)[C@@](C)(C[NH3+])C1 ZINC000630359909 364080406 /nfs/dbraw/zinc/08/04/06/364080406.db2.gz NTKYYEQFTCVDQX-LDYMZIIASA-N 1 0 239.275 0.253 10 0 BCAERO CCCC(=O)N1C[C@@H](OC)C[C@]1(C)C[NH3+] ZINC000630360189 364080424 /nfs/dbraw/zinc/08/04/24/364080424.db2.gz IRXBFNLGYRFASG-GXSJLCMTSA-N 1 0 214.309 0.751 10 0 BCAERO CCOCCCN1C[C@H](OC)C[C@@]1(C)C[NH3+] ZINC000630361267 364080458 /nfs/dbraw/zinc/08/04/58/364080458.db2.gz IMASVPYNUWXRAV-NEPJUHHUSA-N 1 0 230.352 0.851 10 0 BCAERO Cc1ccc(C[NH3+])cc1N(C)S(C)(=O)=O ZINC000725256023 541332997 /nfs/dbraw/zinc/33/29/97/541332997.db2.gz RRIYEISMYOVUOH-UHFFFAOYSA-N 1 0 228.317 0.850 10 0 BCAERO [NH3+]CC(=O)Nc1cc2c(cc1Cl)NC(=O)C2 ZINC000037020527 181355431 /nfs/dbraw/zinc/35/54/31/181355431.db2.gz BWEUFKZUYWTZKI-UHFFFAOYSA-N 1 0 239.662 0.732 10 0 BCAERO CCS(=O)(=O)N1CCC[NH2+]CC12CC2 ZINC000725241491 541329633 /nfs/dbraw/zinc/32/96/33/541329633.db2.gz GLHGMMYGFIDVFF-UHFFFAOYSA-N 1 0 218.322 0.164 10 0 BCAERO CO[C@@H]1CN(C(=O)CC2CC2)[C@@](C)(C[NH3+])C1 ZINC000630367952 364084896 /nfs/dbraw/zinc/08/48/96/364084896.db2.gz OONWBDWPJJSUMJ-CMPLNLGQSA-N 1 0 226.320 0.751 10 0 BCAERO CO[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2C)[C@@](C)(C[NH3+])C1 ZINC000630363042 364082207 /nfs/dbraw/zinc/08/22/07/364082207.db2.gz OHBCQVBKZMOVAC-UXCLJVHYSA-N 1 0 226.320 0.607 10 0 BCAERO CO[C@@H]1CN(C(=O)[C@@H]2CCCO2)[C@@](C)(C[NH3+])C1 ZINC000630362807 364082240 /nfs/dbraw/zinc/08/22/40/364082240.db2.gz PXSKORZEZICCMY-JBLDHEPKSA-N 1 0 242.319 0.130 10 0 BCAERO CO[C@@H]1CN(C(=O)[C@@H]2CCCO2)[C@](C)(C[NH3+])C1 ZINC000630362810 364082331 /nfs/dbraw/zinc/08/23/31/364082331.db2.gz PXSKORZEZICCMY-NHCYSSNCSA-N 1 0 242.319 0.130 10 0 BCAERO C[C@@H]([NH3+])[C@H](C)n1cc(S(C)(=O)=O)cn1 ZINC000725251758 541331012 /nfs/dbraw/zinc/33/10/12/541331012.db2.gz GMKKTWYTYIQXME-RQJHMYQMSA-N 1 0 217.294 0.195 10 0 BCAERO CCN(CC)C(=O)N1C[C@H](OC)C[C@@]1(C)C[NH3+] ZINC000630363340 364082653 /nfs/dbraw/zinc/08/26/53/364082653.db2.gz YTHANWUVEKQRKW-PWSUYJOCSA-N 1 0 243.351 0.886 10 0 BCAERO CCOCCC(=O)N1C[C@@H](OC)C[C@@]1(C)C[NH3+] ZINC000630368263 364084972 /nfs/dbraw/zinc/08/49/72/364084972.db2.gz QAVOAVSMCRFANU-JQWIXIFHSA-N 1 0 244.335 0.378 10 0 BCAERO CO[C@@H]1CN(Cc2conc2C)[C@@](C)(C[NH3+])C1 ZINC000630364054 364083500 /nfs/dbraw/zinc/08/35/00/364083500.db2.gz CKFKRXUZVLSYCF-NWDGAFQWSA-N 1 0 239.319 0.921 10 0 BCAERO [NH3+]CC(=O)Nc1ccc(-c2c[nH]cn2)cc1 ZINC000037031002 181354937 /nfs/dbraw/zinc/35/49/37/181354937.db2.gz LHRPFWYZSWIGJX-UHFFFAOYSA-N 1 0 216.244 0.974 10 0 BCAERO CCCNC(=O)NC[C@@H]([NH3+])[C@@H]1CCOC1 ZINC000725254945 541331968 /nfs/dbraw/zinc/33/19/68/541331968.db2.gz KXOOJKCKEQMDJB-RKDXNWHRSA-N 1 0 215.297 0.059 10 0 BCAERO CO[C@@H]1CN(CC[C@H]2CCCO2)[C@@](C)(C[NH3+])C1 ZINC000630369239 364086100 /nfs/dbraw/zinc/08/61/00/364086100.db2.gz WAVDNUIQNBAXDZ-FRRDWIJNSA-N 1 0 242.363 0.994 10 0 BCAERO CO[C@H]1CN(C(=O)c2ccoc2)[C@@](C)(C[NH3+])C1 ZINC000630369329 364086572 /nfs/dbraw/zinc/08/65/72/364086572.db2.gz WNIXLFAZVRJKBH-ZYHUDNBSSA-N 1 0 238.287 0.858 10 0 BCAERO CO[C@@H]1CN(C(=O)c2ccccn2)[C@](C)(C[NH3+])C1 ZINC000630372171 364088865 /nfs/dbraw/zinc/08/88/65/364088865.db2.gz PQQGLBIVMUURMX-GWCFXTLKSA-N 1 0 249.314 0.660 10 0 BCAERO CO[C@@H]1CN(C(=O)c2cccnc2)[C@](C)(C[NH3+])C1 ZINC000630374631 364088918 /nfs/dbraw/zinc/08/89/18/364088918.db2.gz ZRCBBANCZAFMRF-AAEUAGOBSA-N 1 0 249.314 0.660 10 0 BCAERO CO[C@@H]1CN(C(=O)[C@H]2CC2(C)C)[C@@](C)(C[NH3+])C1 ZINC000630375311 364090742 /nfs/dbraw/zinc/09/07/42/364090742.db2.gz QWXZXWHTKVNSQQ-OPQQBVKSSA-N 1 0 240.347 0.997 10 0 BCAERO CO[C@@H]1CN(C(=O)[C@@H]2CC23CC3)[C@@](C)(C[NH3+])C1 ZINC000630376902 364091091 /nfs/dbraw/zinc/09/10/91/364091091.db2.gz HDQSIKQTUDAKEZ-JBLDHEPKSA-N 1 0 238.331 0.751 10 0 BCAERO CO[C@@H]1CN(C(=O)C2CC=CC2)[C@](C)(C[NH3+])C1 ZINC000630378474 364095197 /nfs/dbraw/zinc/09/51/97/364095197.db2.gz WPUGIVFMCPZMRK-AAEUAGOBSA-N 1 0 238.331 0.917 10 0 BCAERO CCCNC(=O)N[C@@H]1CCOC12CC[NH2+]CC2 ZINC000725269850 541339004 /nfs/dbraw/zinc/33/90/04/541339004.db2.gz QOXPEAAROKSSSK-SNVBAGLBSA-N 1 0 241.335 0.607 10 0 BCAERO Cc1nsc(NCC2([NH3+])CCOCC2)n1 ZINC000630524615 364211037 /nfs/dbraw/zinc/21/10/37/364211037.db2.gz SMHKLKXWWPNRMW-UHFFFAOYSA-N 1 0 228.321 0.188 10 0 BCAERO C[NH2+]CCOCCN(C)c1nnc(C)c(C)n1 ZINC000630528898 364216090 /nfs/dbraw/zinc/21/60/90/364216090.db2.gz NUFZTJSIVLRUKU-UHFFFAOYSA-N 1 0 239.323 0.161 10 0 BCAERO C[NH2+]CCOCCNc1ccncc1Cl ZINC000630530665 364218845 /nfs/dbraw/zinc/21/88/45/364218845.db2.gz OECZRPFNPLZYJD-UHFFFAOYSA-N 1 0 229.711 0.805 10 0 BCAERO C[NH2+]CCOCCN(C)c1ccccn1 ZINC000630530502 364219112 /nfs/dbraw/zinc/21/91/12/364219112.db2.gz JXUXQESCYAKZAM-UHFFFAOYSA-N 1 0 209.293 0.754 10 0 BCAERO C[NH2+]CCOCCNc1cn[nH]c(=O)c1Cl ZINC000630530828 364220265 /nfs/dbraw/zinc/22/02/65/364220265.db2.gz QQGWEGWBZSUVHE-UHFFFAOYSA-N 1 0 246.698 0.484 10 0 BCAERO [NH3+]CC1(C(=O)NCc2ccccn2)CC1 ZINC000077298710 181358804 /nfs/dbraw/zinc/35/88/04/181358804.db2.gz ZAINWYLDZQALNM-UHFFFAOYSA-N 1 0 205.261 0.437 10 0 BCAERO C[C@]12C[NH2+]C[C@@]1(C)CN(c1ncccn1)C2 ZINC000630538750 364235065 /nfs/dbraw/zinc/23/50/65/364235065.db2.gz PPURDVVZPXEZID-TXEJJXNPSA-N 1 0 218.304 0.912 10 0 BCAERO [NH3+][C@H]1CCCCCN(c2ccc3nnnn3n2)C1 ZINC000630549038 364242377 /nfs/dbraw/zinc/24/23/77/364242377.db2.gz HIFNXOOEESKGFS-VIFPVBQESA-N 1 0 247.306 0.227 10 0 BCAERO Nc1n[nH]c(CC2(C[NH3+])CCCCC2)n1 ZINC000043413911 181360840 /nfs/dbraw/zinc/36/08/40/181360840.db2.gz YVENABSDFUSUTG-UHFFFAOYSA-N 1 0 209.297 0.839 10 0 BCAERO OCCc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000215375239 370770032 /nfs/dbraw/zinc/77/00/32/370770032.db2.gz PJIKTGVYYFHSHJ-LBPRGKRZSA-N 1 0 207.273 0.882 10 0 BCAERO C[C@H]1C[C@H]([NH3+])CN1c1ccc2nncn2n1 ZINC000630557344 364258883 /nfs/dbraw/zinc/25/88/83/364258883.db2.gz FBVZOFJXRYHXGS-YUMQZZPRSA-N 1 0 218.264 0.050 10 0 BCAERO C[C@H]1C[C@@H]([NH3+])CN1c1ccc2nncn2n1 ZINC000630557341 364259066 /nfs/dbraw/zinc/25/90/66/364259066.db2.gz FBVZOFJXRYHXGS-JGVFFNPUSA-N 1 0 218.264 0.050 10 0 BCAERO C[C@H]1C[C@@H]([NH3+])CN1c1ncnc2[nH]ccc21 ZINC000630559084 364259640 /nfs/dbraw/zinc/25/96/40/364259640.db2.gz OPLDSUVRXOFUSD-JGVFFNPUSA-N 1 0 217.276 0.884 10 0 BCAERO C[C@@H]1CN(c2ncnc3nc[nH]c32)C[C@H]1C[NH3+] ZINC000630569923 364265851 /nfs/dbraw/zinc/26/58/51/364265851.db2.gz KQDMTFKZVFBYTN-HTQZYQBOSA-N 1 0 232.291 0.384 10 0 BCAERO C[C@H]1CN(c2ncnc3nc[nH]c32)C[C@@H]1C[NH3+] ZINC000630569926 364266398 /nfs/dbraw/zinc/26/63/98/364266398.db2.gz KQDMTFKZVFBYTN-YUMQZZPRSA-N 1 0 232.291 0.384 10 0 BCAERO Cc1cc(N2C[C@H](C)[C@H](C[NH3+])C2)ncn1 ZINC000630575021 364273142 /nfs/dbraw/zinc/27/31/42/364273142.db2.gz WSIDHDODASSITC-WCBMZHEXSA-N 1 0 206.293 0.816 10 0 BCAERO C[C@@H]1C[C@@H]1NC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000170812652 364339220 /nfs/dbraw/zinc/33/92/20/364339220.db2.gz MKIVLDAUEGPRNW-UTLUCORTSA-N 1 0 211.309 0.788 10 0 BCAERO [NH3+]CC1(c2ccc3c(c2)OCO3)OCCO1 ZINC000049819113 181362453 /nfs/dbraw/zinc/36/24/53/181362453.db2.gz BYVJLAXEDVFNPM-UHFFFAOYSA-N 1 0 223.228 0.574 10 0 BCAERO [NH3+]CC1CCC2(CC[N@H+](CC(=O)[O-])C2)CC1 ZINC000095077542 181363897 /nfs/dbraw/zinc/36/38/97/181363897.db2.gz QOXKYERIGLQMGK-UHFFFAOYSA-N 1 0 226.320 0.912 10 0 BCAERO C[NH+](C)[C@@H]1CCN(C(=O)C2CCOCC2)C1 ZINC000170859906 364532347 /nfs/dbraw/zinc/53/23/47/364532347.db2.gz LHVSSRMIHAOMCZ-LLVKDONJSA-N 1 0 226.320 0.576 10 0 BCAERO CCO[C@@H](C)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170866266 364545926 /nfs/dbraw/zinc/54/59/26/364545926.db2.gz DFCJWZDQMIGFLC-VHSXEESVSA-N 1 0 214.309 0.574 10 0 BCAERO [NH3+]CCC(=O)N1CCCC[C@H]1CCO ZINC000022171960 181366429 /nfs/dbraw/zinc/36/64/29/181366429.db2.gz BLLLUXNWEQTOMV-VIFPVBQESA-N 1 0 200.282 0.099 10 0 BCAERO [NH3+]CCC(=O)NC[C@H](O)c1ccc(Cl)s1 ZINC000237863583 181367719 /nfs/dbraw/zinc/36/77/19/181367719.db2.gz UBDIAIYZLUXXCG-LURJTMIESA-N 1 0 248.735 0.900 10 0 BCAERO CCNC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000247182025 364620066 /nfs/dbraw/zinc/62/00/66/364620066.db2.gz LAEAVGDYWRNMCV-ZJUUUORDSA-N 1 0 211.309 0.884 10 0 BCAERO CCOC(=O)CCN1CC[N@@H+]2CCC[C@H]2C1 ZINC000247245518 364620878 /nfs/dbraw/zinc/62/08/78/364620878.db2.gz SSJSWOCGELJEGH-NSHDSACASA-N 1 0 226.320 0.720 10 0 BCAERO [NH3+]CCC(=O)Nc1ccc2c[nH]nc2c1 ZINC000011755246 181369287 /nfs/dbraw/zinc/36/92/87/181369287.db2.gz WTMAXKQHOXNKMJ-UHFFFAOYSA-N 1 0 204.233 0.850 10 0 BCAERO COC(=O)[C@@H]1C[N@H+](C[C@@H]2CCCN2C)C[C@H]1C ZINC000387412918 364669297 /nfs/dbraw/zinc/66/92/97/364669297.db2.gz MKADHIRFKJKENJ-GRYCIOLGSA-N 1 0 240.347 0.822 10 0 BCAERO COC(=O)[C@@H]1CCCN(C[C@@H]2CCC[N@@H+]2C)C1 ZINC000387408045 364669429 /nfs/dbraw/zinc/66/94/29/364669429.db2.gz LYEBBBWDMZCELP-NEPJUHHUSA-N 1 0 240.347 0.966 10 0 BCAERO [NH3+]CCC(=O)Nc1cccc2c1CNC2=O ZINC000089210890 181369005 /nfs/dbraw/zinc/36/90/05/181369005.db2.gz DREMKLCYYMYPMO-UHFFFAOYSA-N 1 0 219.244 0.217 10 0 BCAERO [NH3+]CCC(=O)OCCc1ccc2[nH]cnc2c1 ZINC000077366004 181370313 /nfs/dbraw/zinc/37/03/13/181370313.db2.gz VASFOFDAXYPSMI-UHFFFAOYSA-N 1 0 233.271 0.997 10 0 BCAERO [NH3+]CCC1(NCc2ccccc2)COC1 ZINC000095831353 181370697 /nfs/dbraw/zinc/37/06/97/181370697.db2.gz AMIDZLNREBJGJL-UHFFFAOYSA-N 1 0 206.289 0.894 10 0 BCAERO C[C@@H]1C[C@@H](NC(=O)[C@H]2CC[NH2+]C2)C[C@H](C)O1 ZINC000567980478 364757749 /nfs/dbraw/zinc/75/77/49/364757749.db2.gz BMVNICFFDFTHPI-VLEAKVRGSA-N 1 0 226.320 0.668 10 0 BCAERO [NH3+]C[C@@H]1CCCN1CC1CCS(=O)(=O)CC1 ZINC000573444929 364835304 /nfs/dbraw/zinc/83/53/04/364835304.db2.gz KRNTVQHMEJESJJ-NSHDSACASA-N 1 0 246.376 0.234 10 0 BCAERO [NH3+]CCCC(=O)N[C@@H]1CCC[C@@H](O)C1 ZINC000037001085 181372229 /nfs/dbraw/zinc/37/22/29/181372229.db2.gz POBABAUBBJBGHH-RKDXNWHRSA-N 1 0 200.282 0.145 10 0 BCAERO [NH3+]CCCC(=O)Nc1ccc2c(c1)C(=O)NC2=O ZINC000019966655 181374408 /nfs/dbraw/zinc/37/44/08/181374408.db2.gz WYHXTCKEDNGJCD-UHFFFAOYSA-N 1 0 247.254 0.248 10 0 BCAERO [NH3+]CCCCCCC(=O)N[C@@H]1CCCNC1=O ZINC000050397782 181375565 /nfs/dbraw/zinc/37/55/65/181375565.db2.gz HZDBXMWINGETTC-SNVBAGLBSA-N 1 0 241.335 0.290 10 0 BCAERO CCCCS(=O)(=O)N(CC[NH3+])CCOC ZINC000124291373 541427533 /nfs/dbraw/zinc/42/75/33/541427533.db2.gz RCBJXEFJDWFONS-UHFFFAOYSA-N 1 0 238.353 0.023 10 0 BCAERO CCC[C@@H](C)C(=O)N1CCC[C@@]([NH3+])(CO)C1 ZINC000669384871 541438526 /nfs/dbraw/zinc/43/85/26/541438526.db2.gz KPDRJYYICXFPPG-PWSUYJOCSA-N 1 0 228.336 0.735 10 0 BCAERO C[NH+](C)CCCn1nc(N)nc1Br ZINC000231802898 541438827 /nfs/dbraw/zinc/43/88/27/541438827.db2.gz HZHDJHRMTDYBPY-UHFFFAOYSA-N 1 0 248.128 0.575 10 0 BCAERO CCS(=O)(=O)[C@@H]1CCC[C@H]([NH2+]C)C1 ZINC000082818526 541435039 /nfs/dbraw/zinc/43/50/39/541435039.db2.gz UJYNFQLJVPRVQQ-DTWKUNHWSA-N 1 0 205.323 0.952 10 0 BCAERO [NH3+][C@@]1(CO)CCCN(C(=O)CC2CC2)C1 ZINC000669385134 541438298 /nfs/dbraw/zinc/43/82/98/541438298.db2.gz ZMSKXMBNDOKNCZ-NSHDSACASA-N 1 0 212.293 0.099 10 0 BCAERO CCN(CC(=O)N(C)C)[C@@H]1CCC[NH2+]CC1 ZINC000168804632 365012156 /nfs/dbraw/zinc/01/21/56/365012156.db2.gz JWPUBQHZDIALFK-LLVKDONJSA-N 1 0 227.352 0.539 10 0 BCAERO CC1CC(C(=O)N2CC[C@H]3OCC[NH2+][C@@H]3C2)C1 ZINC000574159261 364997867 /nfs/dbraw/zinc/99/78/67/364997867.db2.gz AEUHQCAVQZWVEA-KIDURHIOSA-N 1 0 238.331 0.622 10 0 BCAERO CO[C@@H]1CCC[C@H]([NH2+]C[C@H]2CN(C)CCO2)C1 ZINC000252563350 541450356 /nfs/dbraw/zinc/45/03/56/541450356.db2.gz XHWICAVGAWIEFM-XQQFMLRXSA-N 1 0 242.363 0.864 10 0 BCAERO [NH3+]CCCNCc1nnnn1-c1ccccc1 ZINC000054050722 181383080 /nfs/dbraw/zinc/38/30/80/181383080.db2.gz BSEXLENLXJCKMW-UHFFFAOYSA-N 1 0 232.291 0.101 10 0 BCAERO [NH3+]CCCNc1nnnn1-c1ccccc1 ZINC000019511452 181383526 /nfs/dbraw/zinc/38/35/26/181383526.db2.gz BZNAHGJKRHUWGF-UHFFFAOYSA-N 1 0 218.264 0.423 10 0 BCAERO [NH3+]CCN1CCN(c2nc3ccccc3o2)CC1 ZINC000038074634 181391484 /nfs/dbraw/zinc/39/14/84/181391484.db2.gz OXFBUCGAHVSISU-UHFFFAOYSA-N 1 0 246.314 0.909 10 0 BCAERO [NH3+]CCCn1cnc2ccsc2c1=O ZINC000037382791 181389307 /nfs/dbraw/zinc/38/93/07/181389307.db2.gz CHNGXNURABHHBL-UHFFFAOYSA-N 1 0 209.274 0.807 10 0 BCAERO [NH3+]CCN(C(=O)c1ccc(O)cc1)C1CC1 ZINC000041056711 181390975 /nfs/dbraw/zinc/39/09/75/181390975.db2.gz MIUJACJVVSEVRD-UHFFFAOYSA-N 1 0 220.272 0.956 10 0 BCAERO [NH3+]CCN1CCCN(C(=O)CC2CC2)CC1 ZINC000049728617 181391843 /nfs/dbraw/zinc/39/18/43/181391843.db2.gz FHFRZIXPWUCDAC-UHFFFAOYSA-N 1 0 225.336 0.280 10 0 BCAERO [NH3+]CCNC(=O)CN1Cc2ccccc2C1 ZINC000050910502 181394155 /nfs/dbraw/zinc/39/41/55/181394155.db2.gz HTGAAPFXSMFDMK-UHFFFAOYSA-N 1 0 219.288 0.077 10 0 BCAERO [NH3+]CCNC(=O)CN(Cc1ccco1)C1CC1 ZINC000042692737 181394336 /nfs/dbraw/zinc/39/43/36/181394336.db2.gz CJQOOEFXXHQGDT-UHFFFAOYSA-N 1 0 237.303 0.319 10 0 BCAERO [NH3+]CCNC(=O)c1cc2cc(F)ccc2[nH]1 ZINC000032500338 181395169 /nfs/dbraw/zinc/39/51/69/181395169.db2.gz MQMNGLCYEKYJPU-UHFFFAOYSA-N 1 0 221.235 0.996 10 0 BCAERO [NH3+]CCNC(=O)c1cc2cccc(F)c2[nH]1 ZINC000032500341 181395805 /nfs/dbraw/zinc/39/58/05/181395805.db2.gz FVJRVGLGIRMWIF-UHFFFAOYSA-N 1 0 221.235 0.996 10 0 BCAERO Nc1cc2c(cc1NCC[NH3+])OCCO2 ZINC000052815294 181396764 /nfs/dbraw/zinc/39/67/64/181396764.db2.gz FIBNGUVDLVCSQP-UHFFFAOYSA-N 1 0 209.249 0.411 10 0 BCAERO [NH3+]CCN[C@@H]([C@@H]1CCCO1)C(F)(F)F ZINC000068576012 181397401 /nfs/dbraw/zinc/39/74/01/181397401.db2.gz ALEQPWLRXBDCMJ-BQBZGAKWSA-N 1 0 212.215 0.645 10 0 BCAERO [NH3+]CCOC[C@@H]1CCCN1C(F)(F)F ZINC000095077611 181399117 /nfs/dbraw/zinc/39/91/17/181399117.db2.gz BUJQXWXINZJZHA-ZETCQYMHSA-N 1 0 212.215 0.946 10 0 BCAERO [NH3+]CCOCCn1cnc2sccc2c1=O ZINC000057834766 181399214 /nfs/dbraw/zinc/39/92/14/181399214.db2.gz JQVPNSDTDHWMDP-UHFFFAOYSA-N 1 0 239.300 0.433 10 0 BCAERO NC(=O)c1ccc(CSCC[NH3+])cc1 ZINC000019471503 181401367 /nfs/dbraw/zinc/40/13/67/181401367.db2.gz IQMZUANQBURBKC-UHFFFAOYSA-N 1 0 210.302 0.977 10 0 BCAERO [NH3+]CCc1csc([C@@H]2CCC(=O)N2)n1 ZINC000083346697 181413426 /nfs/dbraw/zinc/41/34/26/181413426.db2.gz XHTOYKSLCCWLFF-ZETCQYMHSA-N 1 0 211.290 0.595 10 0 BCAERO [NH3+]CCc1nc2ccccc2n1CCO ZINC000019734126 181414249 /nfs/dbraw/zinc/41/42/49/181414249.db2.gz HLZANRMUSSTKFL-UHFFFAOYSA-N 1 0 205.261 0.530 10 0 BCAERO [NH3+]C[C@@H](c1ccccn1)N1CCC[C@H](O)C1 ZINC000043339354 181426269 /nfs/dbraw/zinc/42/62/69/181426269.db2.gz MERGDWGRYNJRGH-JQWIXIFHSA-N 1 0 221.304 0.538 10 0 BCAERO NC(=O)c1cc([C@H](O)C[NH3+])cc2cc[nH]c21 ZINC000006091598 181423098 /nfs/dbraw/zinc/42/30/98/181423098.db2.gz GHZFFYJKVKWIPM-SECBINFHSA-N 1 0 219.244 0.259 10 0 BCAERO COC[C@H](C)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000171541672 365212538 /nfs/dbraw/zinc/21/25/38/365212538.db2.gz JNWWBTYZFLQEEJ-UWVGGRQHSA-N 1 0 214.309 0.431 10 0 BCAERO [NH3+]C[C@@H]1CCCCN1C(=O)C[C@H]1CCOC1 ZINC000336524822 181427588 /nfs/dbraw/zinc/42/75/88/181427588.db2.gz HLWQFBCGSSGHEB-MNOVXSKESA-N 1 0 226.320 0.753 10 0 BCAERO CC(C)OCCC(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000576029053 365455884 /nfs/dbraw/zinc/45/58/84/365455884.db2.gz NZDGJYHRSUCCNC-WDEREUQCSA-N 1 0 242.319 0.001 10 0 BCAERO O=S(=O)(C1CC1)N1CC[C@@H]2CC[NH2+]C[C@@H]21 ZINC000675057255 541462794 /nfs/dbraw/zinc/46/27/94/541462794.db2.gz ZLILNPILWSJXPE-WPRPVWTQSA-N 1 0 230.333 0.162 10 0 BCAERO COC(=O)N1CC2(C1)C[C@H]([NH3+])c1nccn12 ZINC000675049982 541462151 /nfs/dbraw/zinc/46/21/51/541462151.db2.gz DOBWRMPGGIYGOR-ZETCQYMHSA-N 1 0 222.248 0.064 10 0 BCAERO COCC(=O)N[C@H]1Cc2ccccc2[C@@H]1[NH3+] ZINC000675080727 541468145 /nfs/dbraw/zinc/46/81/45/541468145.db2.gz UPHBTONZOOYAAD-JQWIXIFHSA-N 1 0 220.272 0.374 10 0 BCAERO CC(C)S(=O)(=O)N1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000685947520 541496655 /nfs/dbraw/zinc/49/66/55/541496655.db2.gz WSCTXZURTJHKSD-VHSXEESVSA-N 1 0 232.349 0.538 10 0 BCAERO CC(C)S(=O)(=O)N1CC[C@H]2CC[C@@]21C[NH3+] ZINC000685947518 541496770 /nfs/dbraw/zinc/49/67/70/541496770.db2.gz WSCTXZURTJHKSD-NXEZZACHSA-N 1 0 232.349 0.538 10 0 BCAERO COCCNC(=O)NC[C@@H]1CCCC[NH2+]C1 ZINC000685947514 541496807 /nfs/dbraw/zinc/49/68/07/541496807.db2.gz OVOJSYDHOLZZQN-SNVBAGLBSA-N 1 0 229.324 0.322 10 0 BCAERO CCn1ccnc1-c1cnnn1C1C[NH2+]C1 ZINC000685952014 541497573 /nfs/dbraw/zinc/49/75/73/541497573.db2.gz PAJGXSBAAVFPKF-UHFFFAOYSA-N 1 0 218.264 0.306 10 0 BCAERO CC(C)[C@H]1CCNc2nc(CC[NH3+])nn21 ZINC000232743468 541506906 /nfs/dbraw/zinc/50/69/06/541506906.db2.gz LFIOGZXACFVOHO-MRVPVSSYSA-N 1 0 209.297 0.792 10 0 BCAERO CCOC(=O)[C@H]1Cn2cc[nH+]c2N[C@H]1C ZINC000233967388 541509999 /nfs/dbraw/zinc/50/99/99/541509999.db2.gz JQEJCGQRXBBXDH-YUMQZZPRSA-N 1 0 209.249 0.876 10 0 BCAERO CSCC[N@@H+]1CCC[C@@H](NC(C)=O)C1 ZINC000193882699 367224285 /nfs/dbraw/zinc/22/42/85/367224285.db2.gz SSNMKIRCMVZBAC-SNVBAGLBSA-N 1 0 216.350 0.950 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCO[C@H](C)[C@H]1C ZINC000380504491 367225376 /nfs/dbraw/zinc/22/53/76/367225376.db2.gz HXDIOSNOVAMSJM-GWOFURMSSA-N 1 0 226.320 0.478 10 0 BCAERO COc1cc(C)nc(C[NH2+][C@@H]2C[C@H]2CO)c1 ZINC000381415817 367398132 /nfs/dbraw/zinc/39/81/32/367398132.db2.gz VZOTVNQJHBZGNB-JOYOIKCWSA-N 1 0 222.288 0.869 10 0 BCAERO C[C@H](C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1)n1cncn1 ZINC000381215188 367364160 /nfs/dbraw/zinc/36/41/60/367364160.db2.gz FKYYNUOJCHQCFB-VPOLOUISSA-N 1 0 249.318 0.035 10 0 BCAERO CO[C@@H](CNC(=O)[C@@H]1C[NH2+]C[C@H]1C)C(C)C ZINC000381210016 367364372 /nfs/dbraw/zinc/36/43/72/367364372.db2.gz XLFKAUCRDRRMCT-MXWKQRLJSA-N 1 0 228.336 0.629 10 0 BCAERO COC(=O)[C@H](C)CNC(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000262622432 325905954 /nfs/dbraw/zinc/90/59/54/325905954.db2.gz QCIIKDIBHKLIAR-UTLUCORTSA-N 1 0 242.319 0.429 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)NC1(C2CC2)CC1 ZINC000381792591 367457618 /nfs/dbraw/zinc/45/76/18/367457618.db2.gz ALTBNEULDDLDBJ-PSASIEDQSA-N 1 0 208.305 0.901 10 0 BCAERO [NH3+]C[C@H]1CC[C@H](Nc2ncnc3nc[nH]c32)C1 ZINC000382453993 367527113 /nfs/dbraw/zinc/52/71/13/367527113.db2.gz HRGASESULLXRFA-YUMQZZPRSA-N 1 0 232.291 0.892 10 0 BCAERO COC[C@](C)(O)C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000382561653 367539840 /nfs/dbraw/zinc/53/98/40/367539840.db2.gz LJRQQKJZQPWPCH-SBFPOUOMSA-N 1 0 243.347 0.787 10 0 BCAERO COC[C@](C)(O)C[NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000382561652 367539931 /nfs/dbraw/zinc/53/99/31/367539931.db2.gz LJRQQKJZQPWPCH-PRULPYPASA-N 1 0 243.347 0.787 10 0 BCAERO [NH3+]CC[C@H](Nc1ncnc2nc[nH]c21)C(F)F ZINC000383480911 367625875 /nfs/dbraw/zinc/62/58/75/367625875.db2.gz ULPINQFJIUQGKC-YFKPBYRVSA-N 1 0 242.233 0.747 10 0 BCAERO C[C@H]1[NH2+]CCC[C@H]1C(=O)N(C)Cc1nc[nH]n1 ZINC000384403703 367689581 /nfs/dbraw/zinc/68/95/81/367689581.db2.gz PVBPJJDCEXKWSX-RKDXNWHRSA-N 1 0 237.307 0.151 10 0 BCAERO [NH3+]C[C@@H]1CCCN(C(=O)Cc2ccccn2)C1 ZINC000044528661 181429068 /nfs/dbraw/zinc/42/90/68/181429068.db2.gz GFRPUXHNKSCJHU-NSHDSACASA-N 1 0 233.315 0.821 10 0 BCAERO [NH3+]C[C@@H]1CCCN(CC(=O)c2cnccn2)C1 ZINC000095072550 181429257 /nfs/dbraw/zinc/42/92/57/181429257.db2.gz ZFUZVZAKIDOVNK-JTQLQIEISA-N 1 0 234.303 0.330 10 0 BCAERO [NH3+]C[C@@H]1CCCN1C(=O)c1cnn2ccccc12 ZINC000226279271 181430561 /nfs/dbraw/zinc/43/05/61/181430561.db2.gz NNBHDPAVKHDRMA-JTQLQIEISA-N 1 0 244.298 0.898 10 0 BCAERO CC(C)[C@H](C)NC(=O)C[N@@H+]1CCC[C@@H](O)[C@@H]1C ZINC000384916468 367755791 /nfs/dbraw/zinc/75/57/91/367755791.db2.gz QNNRBNCLVACADC-SDDRHHMPSA-N 1 0 242.363 0.992 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@H](C(=O)NC[C@@H]2CCOC2)C1 ZINC000061148931 181432581 /nfs/dbraw/zinc/43/25/81/181432581.db2.gz DKJWWYVBJBXRAC-WOPDTQHZSA-N 1 0 240.347 0.904 10 0 BCAERO Cc1cc2c(N[C@H](C)C[NH3+])nccn2n1 ZINC000156984237 201523611 /nfs/dbraw/zinc/52/36/11/201523611.db2.gz GJSCXALSMBCKGW-MRVPVSSYSA-N 1 0 205.265 0.797 10 0 BCAERO CC[C@H](C[NH2+]CC1(O)CCOCC1)OC ZINC000385950729 367888910 /nfs/dbraw/zinc/88/89/10/367888910.db2.gz CPZCIWDWAHZTNA-SNVBAGLBSA-N 1 0 217.309 0.543 10 0 BCAERO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H](CCO)C2)C1 ZINC000386224690 367934085 /nfs/dbraw/zinc/93/40/85/367934085.db2.gz KRBXCRAFOQFVSS-GHMZBOCLSA-N 1 0 226.320 0.169 10 0 BCAERO CN(C(=O)C(C)(C)N1CC[NH2+]CC1)C1CC1 ZINC000087638907 367946912 /nfs/dbraw/zinc/94/69/12/367946912.db2.gz XMVYZNFFGOZCGN-UHFFFAOYSA-N 1 0 225.336 0.291 10 0 BCAERO CCCCNC(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000087638899 367947218 /nfs/dbraw/zinc/94/72/18/367947218.db2.gz PWOSNBVTAQBURA-UHFFFAOYSA-N 1 0 227.352 0.587 10 0 BCAERO O=[S@]1CCC[NH2+][C@@H]([C@H]2CCOC2)C1 ZINC000252834892 368161652 /nfs/dbraw/zinc/16/16/52/368161652.db2.gz SKMMDYCBRHMCBX-RWEMILLDSA-N 1 0 203.307 0.134 10 0 BCAERO C[N@H+](CC(N)=S)[C@H]1CCCC[C@H]1O ZINC000252925366 368166903 /nfs/dbraw/zinc/16/69/03/368166903.db2.gz MODLRRSOHBSZAQ-JGVFFNPUSA-N 1 0 202.323 0.508 10 0 BCAERO COC[C@H]1C[NH2+]C[C@@H](COc2ccccc2)N1 ZINC000038387049 368326671 /nfs/dbraw/zinc/32/66/71/368326671.db2.gz KSGMRFACZMEHTJ-NEPJUHHUSA-N 1 0 236.315 0.642 10 0 BCAERO CC[C@@H]1CN([C@H]2C[NH2+]C[C@@H]2O)CCS1 ZINC000253073746 368470755 /nfs/dbraw/zinc/47/07/55/368470755.db2.gz PBIXUZOJIXYKRJ-UTLUCORTSA-N 1 0 216.350 0.147 10 0 BCAERO C[C@H](CN(C)C(=O)[C@H]1C[C@@H](O)C[NH2+]1)C(C)(C)C ZINC000399754881 368557031 /nfs/dbraw/zinc/55/70/31/368557031.db2.gz WCRVJNCMEXMLSK-GMTAPVOTSA-N 1 0 242.363 0.850 10 0 BCAERO CC[C@@H]1CN(S(C)(=O)=O)CC[C@H]1[NH2+]C ZINC000253148649 368560587 /nfs/dbraw/zinc/56/05/87/368560587.db2.gz AYNHBBPGUXHPLX-RKDXNWHRSA-N 1 0 220.338 0.266 10 0 BCAERO C[NH2+][C@H](C)C(=O)N1CC[C@H](COC)C1 ZINC000081061464 368573327 /nfs/dbraw/zinc/57/33/27/368573327.db2.gz GEVXHOZCWMUELH-BDAKNGLRSA-N 1 0 200.282 0.089 10 0 BCAERO C[C@H]1CN(C(=O)C[NH2+]C2CC2)CCS1 ZINC000083934604 368844109 /nfs/dbraw/zinc/84/41/09/368844109.db2.gz GFXCMGSHTKCQNS-QMMMGPOBSA-N 1 0 214.334 0.702 10 0 BCAERO O=C(c1nc[nH]n1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000110987016 368844946 /nfs/dbraw/zinc/84/49/46/368844946.db2.gz HOZUTVCMEOUDKY-SNVBAGLBSA-N 1 0 249.318 0.409 10 0 BCAERO [NH3+][C@@H]1CC[C@@H](C(=O)NCCn2cccn2)C1 ZINC000085012109 368860287 /nfs/dbraw/zinc/86/02/87/368860287.db2.gz ODLYGOXPCKOXOT-NXEZZACHSA-N 1 0 222.292 0.127 10 0 BCAERO CCCC[C@H](C[NH3+])NC(=O)c1nnc[nH]1 ZINC000087779385 368897723 /nfs/dbraw/zinc/89/77/23/368897723.db2.gz MFXCNXODVTXLMM-SSDOTTSWSA-N 1 0 211.269 0.052 10 0 BCAERO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)c1nnc[nH]1 ZINC000084213176 368850592 /nfs/dbraw/zinc/85/05/92/368850592.db2.gz KUVFOGRMCZGMBV-JGVFFNPUSA-N 1 0 223.280 0.052 10 0 BCAERO O=C(C[C@H]1CCC[NH2+]C1)NCC1CCOCC1 ZINC000111174559 368851058 /nfs/dbraw/zinc/85/10/58/368851058.db2.gz JPDHRGGKBQECDB-GFCCVEGCSA-N 1 0 240.347 0.919 10 0 BCAERO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)c1nnc[nH]1 ZINC000084213175 368851125 /nfs/dbraw/zinc/85/11/25/368851125.db2.gz KUVFOGRMCZGMBV-SFYZADRCSA-N 1 0 223.280 0.052 10 0 BCAERO O[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CCCSC1 ZINC000623766533 369030583 /nfs/dbraw/zinc/03/05/83/369030583.db2.gz HWLHTOUZDLGLPJ-KXUCPTDWSA-N 1 0 217.334 0.621 10 0 BCAERO [NH3+]C[C@@]1(O)C(c2ccccc2)=CC=C[C@H]1O ZINC000039097597 181441283 /nfs/dbraw/zinc/44/12/83/181441283.db2.gz KFSUPIZWFZNOSV-CHWSQXEVSA-N 1 0 217.268 0.691 10 0 BCAERO Nc1cccc([C@@H]2CN(CC[NH3+])CCCO2)n1 ZINC000616682244 369111008 /nfs/dbraw/zinc/11/10/08/369111008.db2.gz WQJXUTKDKWFVAJ-NSHDSACASA-N 1 0 236.319 0.386 10 0 BCAERO Nc1ccc([C@@H]2CN(CC[NH3+])CCCO2)cc1 ZINC000616680082 369111215 /nfs/dbraw/zinc/11/12/15/369111215.db2.gz MSNGOUZIDANQJE-ZDUSSCGKSA-N 1 0 235.331 0.991 10 0 BCAERO [NH3+]C[C@H](O)c1cnn(Cc2ccccc2)c1 ZINC000076166449 181451233 /nfs/dbraw/zinc/45/12/33/181451233.db2.gz BAWGORKZZYINRU-LBPRGKRZSA-N 1 0 217.272 0.924 10 0 BCAERO [NH3+]C[C@H]1CN(c2nc3ccccc3o2)CCO1 ZINC000041162040 181467172 /nfs/dbraw/zinc/46/71/72/181467172.db2.gz XDINBOJEHARLQM-VIFPVBQESA-N 1 0 233.271 0.992 10 0 BCAERO [NH3+]C[C@H]1CN(Cc2ccc(F)cc2)C(=O)CO1 ZINC000011884431 181467428 /nfs/dbraw/zinc/46/74/28/181467428.db2.gz LZHGYFWHWIPTLE-NSHDSACASA-N 1 0 238.262 0.512 10 0 BCAERO [NH3+]C[C@H]1CO[C@H](c2ccc3c(c2)OCO3)O1 ZINC000049819100 181468626 /nfs/dbraw/zinc/46/86/26/181468626.db2.gz MOWODOVPZJCBEG-KWQFWETISA-N 1 0 223.228 0.788 10 0 BCAERO [NH3+]C[C@H]1CCCN1C(=O)[C@H]1CSCCS1 ZINC000238043455 181460905 /nfs/dbraw/zinc/46/09/05/181460905.db2.gz UFIHIACZUXGSNG-RKDXNWHRSA-N 1 0 246.401 0.785 10 0 BCAERO C[NH2+][C@H](C)C(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000055421396 369233789 /nfs/dbraw/zinc/23/37/89/369233789.db2.gz YHNLCGJRCJQLNA-XHNCKOQMSA-N 1 0 200.282 0.230 10 0 BCAERO C[NH2+][C@H](C)C(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000055421394 369234292 /nfs/dbraw/zinc/23/42/92/369234292.db2.gz YHNLCGJRCJQLNA-HRDYMLBCSA-N 1 0 200.282 0.230 10 0 BCAERO C[C@H]1CN(CC(=O)NC2CCCC2)C[C@H]1C[NH3+] ZINC000631842579 369369010 /nfs/dbraw/zinc/36/90/10/369369010.db2.gz CCIZUGICIZUQCH-WDEREUQCSA-N 1 0 239.363 0.572 10 0 BCAERO FCCCN1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC000404006330 369417430 /nfs/dbraw/zinc/41/74/30/369417430.db2.gz OLGGBQAIVOQJFP-ZJUUUORDSA-N 1 0 202.273 0.409 10 0 BCAERO CC(C)OCC(=O)N1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC000404023050 369417840 /nfs/dbraw/zinc/41/78/40/369417840.db2.gz UISRRXQZKROQBR-MNOVXSKESA-N 1 0 242.319 0.001 10 0 BCAERO c1cnc(N2CC[C@H]3OCC[NH2+][C@H]3C2)cn1 ZINC000404081408 369418963 /nfs/dbraw/zinc/41/89/63/369418963.db2.gz SMKWZMUPAQQZKG-VHSXEESVSA-N 1 0 220.276 0.044 10 0 BCAERO c1cc(CN2CC[C@H]3OCC[NH2+][C@H]3C2)on1 ZINC000404114364 369419805 /nfs/dbraw/zinc/41/98/05/369419805.db2.gz BWCWHLRTRUELTQ-WDEREUQCSA-N 1 0 223.276 0.237 10 0 BCAERO Cc1cc(CN2CC[C@@H]3OCC[NH2+][C@@H]3C2)on1 ZINC000404181276 369422791 /nfs/dbraw/zinc/42/27/91/369422791.db2.gz IBBSMFXDMYVBLX-NEPJUHHUSA-N 1 0 237.303 0.546 10 0 BCAERO CO[C@H]1C[NH2+][C@@H](C(=O)N(C)CC(C)(C)OC)C1 ZINC000404233773 369424015 /nfs/dbraw/zinc/42/40/15/369424015.db2.gz JJTAODGAGMWFAD-NXEZZACHSA-N 1 0 244.335 0.247 10 0 BCAERO CCOC(=O)[C@H](C)N1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC000404244405 369424364 /nfs/dbraw/zinc/42/43/64/369424364.db2.gz ZGONAJYNBDAQSB-AXFHLTTASA-N 1 0 242.319 0.001 10 0 BCAERO [NH3+]Cc1ccc(N2CCCOCC2)nn1 ZINC000061935380 181483725 /nfs/dbraw/zinc/48/37/25/181483725.db2.gz KQTIHSXSIQNNLA-UHFFFAOYSA-N 1 0 208.265 0.162 10 0 BCAERO CCCCN(CC(N)=O)C(=O)[C@H]([NH3+])[C@H](C)CC ZINC000037812834 168788681 /nfs/dbraw/zinc/78/86/81/168788681.db2.gz TZIAVHSIBVCLNA-MWLCHTKSSA-N 1 0 243.351 0.474 10 0 BCAERO CCCCN(CC(N)=O)C(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000091548301 168789831 /nfs/dbraw/zinc/78/98/31/168789831.db2.gz KWMRKAGJGIFESW-NXEZZACHSA-N 1 0 241.335 0.228 10 0 BCAERO CC(C)(C)OC(=O)N1C[C@H]2C[NH2+]CCO[C@H]2C1 ZINC000238209778 259543174 /nfs/dbraw/zinc/54/31/74/259543174.db2.gz XAZLYQXWLXXDDU-ZJUUUORDSA-N 1 0 242.319 0.842 10 0 BCAERO Cc1nnc(N2C[C@@H](C)[NH2+]C[C@H]2C)nc1C ZINC000253365445 370169211 /nfs/dbraw/zinc/16/92/11/370169211.db2.gz OQZOPDQCPPJSLQ-HTQZYQBOSA-N 1 0 221.308 0.675 10 0 BCAERO CC[C@H](NC(=O)[C@@H]1CCC[C@H]1C[NH3+])C(=O)OC ZINC000310086002 370297268 /nfs/dbraw/zinc/29/72/68/370297268.db2.gz AQGHJDYWUZUEGO-AEJSXWLSSA-N 1 0 242.319 0.429 10 0 BCAERO O=C(NCC[C@@H]1CC1(F)F)[C@H]1C[NH2+]CCOC1 ZINC000621675040 370427067 /nfs/dbraw/zinc/42/70/67/370427067.db2.gz MIYDJRYSNDPHRS-DTWKUNHWSA-N 1 0 248.273 0.384 10 0 BCAERO COC[C@]1(C(=O)NCC2CC(C)C2)CCC[NH2+]1 ZINC000621676292 370428193 /nfs/dbraw/zinc/42/81/93/370428193.db2.gz GKINCABSVXVBNT-XIVSLSHWSA-N 1 0 240.347 0.917 10 0 BCAERO CN1CCO[C@H](C[N@H+](C)CC(C)(C)O)C1 ZINC000082462816 370999324 /nfs/dbraw/zinc/99/93/24/370999324.db2.gz DDXYHLOGYMXPOH-JTQLQIEISA-N 1 0 216.325 0.020 10 0 BCAERO CC1CC(C(=O)NCC[NH+]2CCC(O)CC2)C1 ZINC000622658761 371044188 /nfs/dbraw/zinc/04/41/88/371044188.db2.gz GWCHMJXXODOYJW-UHFFFAOYSA-N 1 0 240.347 0.605 10 0 BCAERO CC[C@@H]1C[C@H]([NH2+][C@H]2CCOC[C@H]2O)CCO1 ZINC000623767067 371086038 /nfs/dbraw/zinc/08/60/38/371086038.db2.gz PJEVMVYVMXMPBO-WISYIIOYSA-N 1 0 229.320 0.683 10 0 BCAERO O[C@H]1COCC[C@H]1[NH2+]Cc1nccs1 ZINC000623764903 371086483 /nfs/dbraw/zinc/08/64/83/371086483.db2.gz LMJMLEQDIRVGSN-SFYZADRCSA-N 1 0 214.290 0.383 10 0 BCAERO CCc1cnc(C[NH2+][C@H]2CCOC[C@H]2O)s1 ZINC000623767506 371086603 /nfs/dbraw/zinc/08/66/03/371086603.db2.gz XIDKIHIZUAAQIL-VHSXEESVSA-N 1 0 242.344 0.945 10 0 BCAERO [NH3+][C@H]([C@H]1CCS(=O)(=O)C1)C1CCOCC1 ZINC000052176243 181537813 /nfs/dbraw/zinc/53/78/13/181537813.db2.gz HUTRROJVQAPBTQ-UWVGGRQHSA-N 1 0 233.333 0.175 10 0 BCAERO NNc1[nH+]cnc2c1ncn2[C@H]1CCCCO1 ZINC000211319700 181521502 /nfs/dbraw/zinc/52/15/02/181521502.db2.gz SMCRLLOFBWBKPX-SSDOTTSWSA-N 1 0 234.263 0.811 10 0 BCAERO [NH3+][C@@H]1CCCC[C@@H]1NC(=O)c1cc[nH]c(=O)c1 ZINC000185404294 181575255 /nfs/dbraw/zinc/57/52/55/181575255.db2.gz VKYKBFHUMGINSQ-ZJUUUORDSA-N 1 0 235.287 0.375 10 0 BCAERO [NH3+][C@@H]1CCC[C@H](CN2CCS(=O)(=O)CC2)C1 ZINC000070503148 181583731 /nfs/dbraw/zinc/58/37/31/181583731.db2.gz ZIFUNDYRKLDORU-WDEREUQCSA-N 1 0 246.376 0.234 10 0 BCAERO [NH3+][C@@H]1CCN(CC(=O)c2nccs2)C1 ZINC000095072113 181588041 /nfs/dbraw/zinc/58/80/41/181588041.db2.gz DJGUMJWEXPWONQ-SSDOTTSWSA-N 1 0 211.290 0.359 10 0 BCAERO [NH3+][C@@H]1CCN(Cc2ccc(Cl)nn2)C1 ZINC000095072116 181588331 /nfs/dbraw/zinc/58/83/31/181588331.db2.gz ASZYVMPCHRAYDC-SSDOTTSWSA-N 1 0 212.684 0.663 10 0 BCAERO [NH3+][C@H](C1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000050271505 181611111 /nfs/dbraw/zinc/61/11/11/181611111.db2.gz ONJJDHXYYHAGCE-VHSXEESVSA-N 1 0 217.334 0.939 10 0 BCAERO [NH3+][C@H]1CCCCC[C@@H]1N1CCS(=O)(=O)CC1 ZINC000040989334 181639545 /nfs/dbraw/zinc/63/95/45/181639545.db2.gz CBPJTABCDGKPIN-QWRGUYRKSA-N 1 0 246.376 0.377 10 0 BCAERO [NH3+][C@H]1CCCN(C(=O)Cc2ccncc2)C1 ZINC000041028287 181644120 /nfs/dbraw/zinc/64/41/20/181644120.db2.gz YGUIVXXNDOZBGG-NSHDSACASA-N 1 0 219.288 0.574 10 0 BCAERO [NH3+][C@H]1CCN(CCn2c3ccccc3oc2=O)C1 ZINC000050243238 181650696 /nfs/dbraw/zinc/65/06/96/181650696.db2.gz UQVJEEWBOBIUIL-JTQLQIEISA-N 1 0 247.298 0.628 10 0 BCAERO [NH3+][C@H]1CCN(c2nccc(N3CCCC3)n2)C1 ZINC000045948370 181653126 /nfs/dbraw/zinc/65/31/26/181653126.db2.gz PLRRBMKTDNYSHD-JTQLQIEISA-N 1 0 233.319 0.614 10 0 BCAERO CO[C@H](C)[C@H](C)[NH2+][C@H]1CCOC[C@H]1O ZINC000624237103 371414913 /nfs/dbraw/zinc/41/49/13/371414913.db2.gz PLFWLYWUENQILD-QCLAVDOMSA-N 1 0 203.282 0.149 10 0 BCAERO CO[C@H](C)[C@H](C)[NH2+][C@@H]1CCOC[C@@H]1O ZINC000624237101 371415203 /nfs/dbraw/zinc/41/52/03/371415203.db2.gz PLFWLYWUENQILD-JLIMGVALSA-N 1 0 203.282 0.149 10 0 BCAERO O[C@@H]1COCC[C@@H]1[NH2+]C1CCSCC1 ZINC000624235872 371423503 /nfs/dbraw/zinc/42/35/03/371423503.db2.gz RDYALOUAKVTQPP-VHSXEESVSA-N 1 0 217.334 0.621 10 0 BCAERO CC(C)S(=O)(=O)N[C@H]1CCC[NH2+]CC1 ZINC000226461486 371505000 /nfs/dbraw/zinc/50/50/00/371505000.db2.gz GDOCXARRAMVOCY-VIFPVBQESA-N 1 0 220.338 0.456 10 0 BCAERO Nc1c[nH+]ccc1NC[C@H]1COCCO1 ZINC000038062568 181769209 /nfs/dbraw/zinc/76/92/09/181769209.db2.gz YKJCTMIJWZTZRW-QMMMGPOBSA-N 1 0 209.249 0.491 10 0 BCAERO CN1C(=O)CC[C@H]([NH3+])[C@@H]1c1nccs1 ZINC000161691525 371553375 /nfs/dbraw/zinc/55/33/75/371553375.db2.gz YOOVPQFJGQWBNY-POYBYMJQSA-N 1 0 211.290 0.764 10 0 BCAERO CNC(=O)CO[C@H]1CCCCC[C@H]1[NH3+] ZINC000131149708 371563855 /nfs/dbraw/zinc/56/38/55/371563855.db2.gz GQTBIJFEOMLLJC-BDAKNGLRSA-N 1 0 200.282 0.409 10 0 BCAERO CNC(=O)[C@H](C)O[C@@H]1CCCC[C@@H]1[NH3+] ZINC000131538099 371619402 /nfs/dbraw/zinc/61/94/02/371619402.db2.gz DXMBDZYTJSOCCP-XHNCKOQMSA-N 1 0 200.282 0.407 10 0 BCAERO NC(=O)N(CCC[NH3+])Cc1ccccc1 ZINC000230017258 371636341 /nfs/dbraw/zinc/63/63/41/371636341.db2.gz BCUBBYDOHCEDTA-UHFFFAOYSA-N 1 0 207.277 0.916 10 0 BCAERO C[C@H]1CN(S(=O)(=O)CC[NH3+])CC[C@@H]1C ZINC000131911660 371709751 /nfs/dbraw/zinc/70/97/51/371709751.db2.gz WLBAFKGGFFUZDF-IUCAKERBSA-N 1 0 220.338 0.253 10 0 BCAERO C[C@@H]1CCN(S(=O)(=O)CC[NH3+])C[C@@H]1C ZINC000131911436 371710277 /nfs/dbraw/zinc/71/02/77/371710277.db2.gz WLBAFKGGFFUZDF-BDAKNGLRSA-N 1 0 220.338 0.253 10 0 BCAERO C[NH2+][C@H]1CCCN(S(C)(=O)=O)CC1 ZINC000216219118 371721633 /nfs/dbraw/zinc/72/16/33/371721633.db2.gz WFZMWPZOKZESCH-QMMMGPOBSA-N 1 0 206.311 0.020 10 0 BCAERO C[NH2+][C@@H]1CCCCN(S(C)(=O)=O)C1 ZINC000216224371 371722964 /nfs/dbraw/zinc/72/29/64/371722964.db2.gz PJRLEKCVVMNMDP-MRVPVSSYSA-N 1 0 206.311 0.020 10 0 BCAERO Cc1csc(C[NH3+])c1S(=O)(=O)N(C)C ZINC000226502686 371686059 /nfs/dbraw/zinc/68/60/59/371686059.db2.gz XQRGMEAKUYCBGW-UHFFFAOYSA-N 1 0 234.346 0.766 10 0 BCAERO C[NH+](C)C1(CNC(N)=S)CCCC1 ZINC000132306873 371791756 /nfs/dbraw/zinc/79/17/56/371791756.db2.gz PWBKDQUZIOCGRU-UHFFFAOYSA-N 1 0 201.339 0.694 10 0 BCAERO OC1([C@@H]2C=CC[NH2+]2)CCC2(CC1)OCCO2 ZINC000304389614 371786001 /nfs/dbraw/zinc/78/60/01/371786001.db2.gz LABFIBPIDZVDKS-JTQLQIEISA-N 1 0 225.288 0.563 10 0 BCAERO CNc1cnc(C(=O)N2CC[C@@H]([NH+](C)C)C2)cn1 ZINC000230105442 371848957 /nfs/dbraw/zinc/84/89/57/371848957.db2.gz NIRLPWYEGIXTRK-SECBINFHSA-N 1 0 249.318 0.294 10 0 BCAERO C[C@@H]1C[C@H](C)[C@H](S(C)(=O)=O)[C@@H]([NH3+])C1 ZINC000227350400 371840238 /nfs/dbraw/zinc/84/02/38/371840238.db2.gz NDWQBVOMQFZUEP-XGEHTFHBSA-N 1 0 205.323 0.793 10 0 BCAERO Cn1ncc(N2CC[NH2+]CC2)c1Br ZINC000217495815 371965644 /nfs/dbraw/zinc/96/56/44/371965644.db2.gz NMKOACFJFDGUCE-UHFFFAOYSA-N 1 0 245.124 0.592 10 0 BCAERO CCOC(=O)[C@H](CC)N1CC[C@@H]([NH+](C)C)C1 ZINC000228069961 371984601 /nfs/dbraw/zinc/98/46/01/371984601.db2.gz AMFMLZHGLBBNTJ-MNOVXSKESA-N 1 0 228.336 0.964 10 0 BCAERO [NH3+][C@@H]1CCCC[C@@H]1C(=O)NCC(F)F ZINC000133085606 371984823 /nfs/dbraw/zinc/98/48/23/371984823.db2.gz DWDHGPBIANEIRH-NKWVEPMBSA-N 1 0 206.236 0.885 10 0 BCAERO CC1(C)CN([C@@H](C[NH3+])CO)CCS1 ZINC000133280274 372017045 /nfs/dbraw/zinc/01/70/45/372017045.db2.gz PKVGQIGLRSYXTK-QMMMGPOBSA-N 1 0 204.339 0.133 10 0 BCAERO [NH3+][C@@H]1COC[C@@H]1Nc1ncc(Cl)cn1 ZINC000306504220 372029408 /nfs/dbraw/zinc/02/94/08/372029408.db2.gz YKPVBTZETVIDAH-RQJHMYQMSA-N 1 0 214.656 0.268 10 0 BCAERO c1nc2n(n1)C[C@@H]([NH2+]C1CSC1)CC2 ZINC000306598171 372043010 /nfs/dbraw/zinc/04/30/10/372043010.db2.gz PFQMAQJKIUJRAT-ZETCQYMHSA-N 1 0 210.306 0.298 10 0 BCAERO Nc1c[nH+]ccc1NCC(F)(F)CO ZINC000228537924 372044487 /nfs/dbraw/zinc/04/44/87/372044487.db2.gz YCXKHBRAADVSOB-UHFFFAOYSA-N 1 0 203.192 0.703 10 0 BCAERO Cc1nc(NC2C[NH2+]C2)ncc1Br ZINC000306647574 372049917 /nfs/dbraw/zinc/04/99/17/372049917.db2.gz GNBGBKILUUNNCY-UHFFFAOYSA-N 1 0 243.108 0.931 10 0 BCAERO C[C@@H]([NH3+])[C@](C)(O)c1c(Cl)cnn1C ZINC000306660538 372052381 /nfs/dbraw/zinc/05/23/81/372052381.db2.gz MXXKJXUNIGILSP-XRGYYRRGSA-N 1 0 203.673 0.628 10 0 BCAERO [NH3+][C@@H]1CC(=O)N(C[C@H]2CCSC2)C1 ZINC000228602876 372054172 /nfs/dbraw/zinc/05/41/72/372054172.db2.gz NAGOYMVNAYPZAW-HTQZYQBOSA-N 1 0 200.307 0.299 10 0 BCAERO COc1nc(C(=O)[C@H]2CC[NH2+]C2)cs1 ZINC000306712835 372058540 /nfs/dbraw/zinc/05/85/40/372058540.db2.gz USYLQTKAKGAEGC-LURJTMIESA-N 1 0 212.274 0.944 10 0 BCAERO C[C@@H](C[S@](C)=O)NC1=[NH+]CCCS1 ZINC000229020153 372108001 /nfs/dbraw/zinc/10/80/01/372108001.db2.gz UAXAWLOSUHKYFQ-CPFSXVBKSA-N 1 0 220.363 0.836 10 0 BCAERO C[C@@H](CNc1cccc(N)[nH+]1)[S@](C)=O ZINC000228674530 372067548 /nfs/dbraw/zinc/06/75/48/372067548.db2.gz ZWEQBWUMNTXEDF-WJWGPLDTSA-N 1 0 213.306 0.843 10 0 BCAERO CC[S@](C)(=O)=NC(=O)[C@H]1[NH2+]CC[C@H]1C ZINC000306878610 372074833 /nfs/dbraw/zinc/07/48/33/372074833.db2.gz ITJOVROVVHLMOU-KXEKKFMESA-N 1 0 218.322 0.629 10 0 BCAERO C[C@@H]1SCC[C@H]1[NH2+][C@@H]1CNC(=O)C1 ZINC000228922475 372087831 /nfs/dbraw/zinc/08/78/31/372087831.db2.gz SOPRMPLZJCQZCW-BIIVOSGPSA-N 1 0 200.307 0.359 10 0 BCAERO C[C@H]1CCSC(NN2CCOCC2)=[NH+]1 ZINC000133743719 372101056 /nfs/dbraw/zinc/10/10/56/372101056.db2.gz SOMYKUGFDRKFAD-QMMMGPOBSA-N 1 0 215.322 0.705 10 0 BCAERO C[C@H]([NH3+])Cn1cc(Br)ccc1=O ZINC000059112685 372142646 /nfs/dbraw/zinc/14/26/46/372142646.db2.gz AMMAZLTXQSKFRH-LURJTMIESA-N 1 0 231.093 0.958 10 0 BCAERO CC(C)S(=O)(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000232678379 372151211 /nfs/dbraw/zinc/15/12/11/372151211.db2.gz CZCUMDCZUWOIMM-BDAKNGLRSA-N 1 0 220.338 0.455 10 0 BCAERO C[NH2+]C(C)(C)C(=O)N[C@]1(C)CCOC1 ZINC000229464066 372154599 /nfs/dbraw/zinc/15/45/99/372154599.db2.gz MXJFZEDIJSKZLT-SNVBAGLBSA-N 1 0 200.282 0.280 10 0 BCAERO CNC(=O)[C@H](C)[NH2+]C1CCC(O)CC1 ZINC000218828733 372156634 /nfs/dbraw/zinc/15/66/34/372156634.db2.gz QUBOFUSUWVRUCP-UEJVZZJDSA-N 1 0 200.282 0.014 10 0 BCAERO COc1c(C[NH2+][C@H]2C[C@@H](CO)C2)c(C)nn1C ZINC000631197922 372228251 /nfs/dbraw/zinc/22/82/51/372228251.db2.gz BNISGNZJEVGPFV-AOOOYVTPSA-N 1 0 239.319 0.598 10 0 BCAERO CCOC(=O)c1cnc(NC[C@@H](C)[NH3+])nc1C ZINC000134315997 372195014 /nfs/dbraw/zinc/19/50/14/372195014.db2.gz PGTUXTALJUNHHH-SSDOTTSWSA-N 1 0 238.291 0.721 10 0 BCAERO C[C@@H]([NH2+][C@@H]1COCC[C@H]1O)c1cncs1 ZINC000631749205 372549437 /nfs/dbraw/zinc/54/94/37/372549437.db2.gz KNODWKCLBCWBJG-IWSPIJDZSA-N 1 0 228.317 0.944 10 0 BCAERO C[C@@H]1COCC[C@H]1[NH2+][C@@H]1COCC[C@H]1O ZINC000631750398 372551029 /nfs/dbraw/zinc/55/10/29/372551029.db2.gz CWIOBFWGXFMRMX-GWOFURMSSA-N 1 0 215.293 0.151 10 0 BCAERO Cc1nccnc1CN1CC[C@H]2OCC[NH2+][C@@H]2C1 ZINC000631829201 372611287 /nfs/dbraw/zinc/61/12/87/372611287.db2.gz KCCOGTCMAVQREZ-CHWSQXEVSA-N 1 0 248.330 0.348 10 0 BCAERO C[C@H]1CN(Cc2ccnn2C)C[C@@H]1C[NH3+] ZINC000631836847 372625847 /nfs/dbraw/zinc/62/58/47/372625847.db2.gz HYKRDTOHVAYECA-UWVGGRQHSA-N 1 0 208.309 0.447 10 0 BCAERO CC(C)n1nnnc1CN1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631838365 372631778 /nfs/dbraw/zinc/63/17/78/372631778.db2.gz NAXPUYPVEZSIBT-NXEZZACHSA-N 1 0 238.339 0.281 10 0 BCAERO CCn1c(C)nnc1CN1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631838363 372632402 /nfs/dbraw/zinc/63/24/02/372632402.db2.gz MZOAHIQSNQSNLQ-MWLCHTKSSA-N 1 0 237.351 0.633 10 0 BCAERO C[C@H]1CN(CC(=O)N(C)C2CC2)C[C@@H]1C[NH3+] ZINC000631838597 372634283 /nfs/dbraw/zinc/63/42/83/372634283.db2.gz QYMTZHKKKOGMDU-UWVGGRQHSA-N 1 0 225.336 0.134 10 0 BCAERO CCc1nc(CN2C[C@H](C)[C@H](C[NH3+])C2)no1 ZINC000631841241 372637663 /nfs/dbraw/zinc/63/76/63/372637663.db2.gz IJIZOVHNQXXQQJ-DTWKUNHWSA-N 1 0 224.308 0.659 10 0 BCAERO CCc1noc(CN2C[C@H](C)[C@@H](C[NH3+])C2)n1 ZINC000631841845 372638332 /nfs/dbraw/zinc/63/83/32/372638332.db2.gz QRCJNDVIRHAVSK-IUCAKERBSA-N 1 0 224.308 0.659 10 0 BCAERO CCc1noc(CN2C[C@H](C)[C@H](C[NH3+])C2)n1 ZINC000631841844 372638735 /nfs/dbraw/zinc/63/87/35/372638735.db2.gz QRCJNDVIRHAVSK-DTWKUNHWSA-N 1 0 224.308 0.659 10 0 BCAERO CC(C)CNC(=O)CN1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631842770 372640072 /nfs/dbraw/zinc/64/00/72/372640072.db2.gz FOGDYAIWXLPJGW-MNOVXSKESA-N 1 0 227.352 0.285 10 0 BCAERO CCC(C)(C)NC(=O)CN1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631844070 372643760 /nfs/dbraw/zinc/64/37/60/372643760.db2.gz UZLFMOHHDPLJNG-MNOVXSKESA-N 1 0 241.379 0.818 10 0 BCAERO O=C(CN[C@@H]1CCC[NH2+]C1)c1ccc[nH]1 ZINC000095072734 181979482 /nfs/dbraw/zinc/97/94/82/181979482.db2.gz BPTPUAYTMSCJBT-SECBINFHSA-N 1 0 207.277 0.539 10 0 BCAERO Cc1ncn(CC(=O)OC(C)(C)C)c1C[NH3+] ZINC000140841820 372804185 /nfs/dbraw/zinc/80/41/85/372804185.db2.gz PVVVGINEUDUZMK-UHFFFAOYSA-N 1 0 225.292 0.992 10 0 BCAERO O=C(CO[C@@H]1CC[NH2+]C1)c1cnccn1 ZINC000095072831 182000112 /nfs/dbraw/zinc/00/01/12/182000112.db2.gz IAUVBGNYHHXOJB-MRVPVSSYSA-N 1 0 207.233 0.038 10 0 BCAERO O=C(CO[C@H]1CC[NH2+]C1)NC1CCCCC1 ZINC000051782350 182000386 /nfs/dbraw/zinc/00/03/86/182000386.db2.gz YHZFZYOTGKHVJP-NSHDSACASA-N 1 0 226.320 0.814 10 0 BCAERO O=C(CO[C@@H]1CC[NH2+]C1)N1CCCCCC1 ZINC000051782508 182000399 /nfs/dbraw/zinc/00/03/99/182000399.db2.gz GMPUCCIJMXZJIZ-LLVKDONJSA-N 1 0 226.320 0.768 10 0 BCAERO CCOCC[N@@H+]1CCN(C(=O)NC)C[C@H]1CC ZINC000172113128 372878221 /nfs/dbraw/zinc/87/82/21/372878221.db2.gz ZEWYEEMTUFHLDL-LLVKDONJSA-N 1 0 243.351 0.759 10 0 BCAERO O=C(CS[C@@H]1CC[NH2+]C1)N1CCCC1 ZINC000095725441 182009646 /nfs/dbraw/zinc/00/96/46/182009646.db2.gz YNCUSQWLTCVQIN-SECBINFHSA-N 1 0 214.334 0.704 10 0 BCAERO O=C(C[C@@H]1CCC[NH2+]C1)N1CCC[C@@H](O)C1 ZINC000054291318 182018804 /nfs/dbraw/zinc/01/88/04/182018804.db2.gz AEMXMVGHSOPTFR-WDEREUQCSA-N 1 0 226.320 0.359 10 0 BCAERO O=C(C[C@@H]1CCC[NH2+]C1)Nc1nncs1 ZINC000054305778 182019161 /nfs/dbraw/zinc/01/91/61/182019161.db2.gz DTBDFISVWRZRQT-ZETCQYMHSA-N 1 0 226.305 0.866 10 0 BCAERO O=C(C[C@@H]1CCC[NH2+]C1)NC[C@H]1CCOC1 ZINC000054307522 182019335 /nfs/dbraw/zinc/01/93/35/182019335.db2.gz HBVYPWAYFDMBQC-WDEREUQCSA-N 1 0 226.320 0.529 10 0 BCAERO O=C(C[C@@H]1CCC[NH2+]C1)N1CCCOCC1 ZINC000061920591 182019500 /nfs/dbraw/zinc/01/95/00/182019500.db2.gz WASDMMWJEBPKSU-NSHDSACASA-N 1 0 226.320 0.625 10 0 BCAERO O=C(C[C@@H]1CCC[NH2+]C1)NC1CCOCC1 ZINC000054290953 182019767 /nfs/dbraw/zinc/01/97/67/182019767.db2.gz MZQXNGVBOCRMKR-JTQLQIEISA-N 1 0 226.320 0.671 10 0 BCAERO O=C(C[C@@H]1CCC[NH2+]1)N1CCC[C@H](CO)C1 ZINC000042166271 182017602 /nfs/dbraw/zinc/01/76/02/182017602.db2.gz XHQBPKQBHDYHAZ-QWRGUYRKSA-N 1 0 226.320 0.359 10 0 BCAERO O=C(C[C@@H]1CCC[NH2+]1)N1CCn2ccnc2C1 ZINC000062254612 182017844 /nfs/dbraw/zinc/01/78/44/182017844.db2.gz SCPGVAOHPZJIBZ-JTQLQIEISA-N 1 0 234.303 0.367 10 0 BCAERO O=C(C[C@@H]1CCC[NH2+]1)N[C@H]1CCCOC1 ZINC000071023524 182018138 /nfs/dbraw/zinc/01/81/38/182018138.db2.gz SBTMYBSINVKSHY-UWVGGRQHSA-N 1 0 212.293 0.424 10 0 BCAERO O=C(C[C@H]1CCCC[NH2+]1)NC[C@H]1CCCO1 ZINC000020597360 182026799 /nfs/dbraw/zinc/02/67/99/182026799.db2.gz LTOIKCONNYSVJJ-GHMZBOCLSA-N 1 0 226.320 0.814 10 0 BCAERO O=C(C[C@H]1CCC[NH2+]C1)Nc1cnccn1 ZINC000054306244 182028894 /nfs/dbraw/zinc/02/88/94/182028894.db2.gz LOXHNHBGJLRQCF-SECBINFHSA-N 1 0 220.276 0.805 10 0 BCAERO O=C(C[C@H]1C[NH2+]CCO1)Nc1ncccc1O ZINC000128608956 182031107 /nfs/dbraw/zinc/03/11/07/182031107.db2.gz RRMXPENSOJJXRX-QMMMGPOBSA-N 1 0 237.259 0.104 10 0 BCAERO O=C(Cc1cc[nH]n1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000173748796 182052933 /nfs/dbraw/zinc/05/29/33/182052933.db2.gz ZUZSKAZGVCVAFJ-LBPRGKRZSA-N 1 0 248.330 0.649 10 0 BCAERO CC(C)C(=[NH2+])N[C@H]1CCCS(=O)(=O)C1 ZINC000068942153 373094859 /nfs/dbraw/zinc/09/48/59/373094859.db2.gz VSIZJMQHEOFMQM-QMMMGPOBSA-N 1 0 218.322 0.786 10 0 BCAERO O=C([C@H]1CCCO1)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000632863471 373196722 /nfs/dbraw/zinc/19/67/22/373196722.db2.gz HNSHYYOKYOSCJD-IJLUTSLNSA-N 1 0 238.331 0.766 10 0 BCAERO O=C(NC1(CO)CCCCC1)[C@H]1CCC[NH2+]1 ZINC000053127159 182090958 /nfs/dbraw/zinc/09/09/58/182090958.db2.gz YTWPPTWKYIXOOK-SNVBAGLBSA-N 1 0 226.320 0.550 10 0 BCAERO NC(=O)[C@@H]([NH3+])c1cccc2cccnc21 ZINC000069503052 373331269 /nfs/dbraw/zinc/33/12/69/373331269.db2.gz LAPFYBHBLBZUGP-VIFPVBQESA-N 1 0 201.229 0.720 10 0 BCAERO CC[C@H](C)[C@H]([NH3+])C(=O)N[C@H]1CCC[C@@H](O)C1 ZINC000040462112 373281616 /nfs/dbraw/zinc/28/16/16/373281616.db2.gz YYYIZSYPWICBRL-MMWGEVLESA-N 1 0 228.336 0.780 10 0 BCAERO CC[N@@H+]1CCC[C@H](NCc2cc[nH]n2)C1 ZINC000040502715 373360486 /nfs/dbraw/zinc/36/04/86/373360486.db2.gz MCKQXRAZIIGIJQ-NSHDSACASA-N 1 0 208.309 0.984 10 0 BCAERO COC(=O)[C@@H]1C[C@H]1C(=O)NCC[NH2+]C(C)(C)C ZINC000174248831 205553653 /nfs/dbraw/zinc/55/36/53/205553653.db2.gz SDHZQOSSMPCWRI-RKDXNWHRSA-N 1 0 242.319 0.300 10 0 BCAERO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CCOC1 ZINC000040930287 182119179 /nfs/dbraw/zinc/11/91/79/182119179.db2.gz ZIVFGCGZSNGRNX-NFLHVTIKSA-N 1 0 224.304 0.422 10 0 BCAERO O=C(NCC1CC[NH2+]CC1)C1CCOCC1 ZINC000044503573 182147852 /nfs/dbraw/zinc/14/78/52/182147852.db2.gz YWHBYBQFPHKKSH-UHFFFAOYSA-N 1 0 226.320 0.529 10 0 BCAERO C[C@H]1CCC[C@H](C[NH3+])N1S(C)(=O)=O ZINC000069722543 373656096 /nfs/dbraw/zinc/65/60/96/373656096.db2.gz XARDGYZFTAOTNH-JGVFFNPUSA-N 1 0 206.311 0.148 10 0 BCAERO CCS(=O)(=O)N1[C@H](C)CCC[C@@H]1C[NH3+] ZINC000069722536 373656107 /nfs/dbraw/zinc/65/61/07/373656107.db2.gz OPHSVRHJGUKKRU-RKDXNWHRSA-N 1 0 220.338 0.538 10 0 BCAERO C[C@@H]1CCC[C@@H](C[NH3+])N1S(C)(=O)=O ZINC000069722546 373656268 /nfs/dbraw/zinc/65/62/68/373656268.db2.gz XARDGYZFTAOTNH-SFYZADRCSA-N 1 0 206.311 0.148 10 0 BCAERO O=C(NCCCC(F)(F)F)C1C[NH2+]C1 ZINC000124319953 182158483 /nfs/dbraw/zinc/15/84/83/182158483.db2.gz UXYQWOLVPMDHMC-UHFFFAOYSA-N 1 0 210.199 0.665 10 0 BCAERO O=C1CNCCN1CCc1ccsc1 ZINC000069766889 373729931 /nfs/dbraw/zinc/72/99/31/373729931.db2.gz RQBXCYMXAIALTB-UHFFFAOYSA-N 1 0 210.302 0.722 10 0 BCAERO O=C(NCC[C@@H]1CCCO1)[C@@H]1CC[NH2+]C1 ZINC000062115488 182198828 /nfs/dbraw/zinc/19/88/28/182198828.db2.gz CXFBESRQGJSVDT-ZJUUUORDSA-N 1 0 212.293 0.281 10 0 BCAERO O=C(NCC[C@@H]1CCCO1)[C@@H]1CCCC[NH2+]1 ZINC000038096855 182199500 /nfs/dbraw/zinc/19/95/00/182199500.db2.gz PTCLVFVRCORLMP-QWRGUYRKSA-N 1 0 226.320 0.814 10 0 BCAERO CC1(C)C[C@]([NH2+]C2CC2)(C(N)=O)CCO1 ZINC000069893362 373970851 /nfs/dbraw/zinc/97/08/51/373970851.db2.gz PJYSRYMMKHHTIO-NSHDSACASA-N 1 0 212.293 0.552 10 0 BCAERO C[C@@H]1CCCCCN1S(=O)(=O)CC[NH3+] ZINC000069944727 374089772 /nfs/dbraw/zinc/08/97/72/374089772.db2.gz GZFILZIEAJKXTJ-SECBINFHSA-N 1 0 220.338 0.539 10 0 BCAERO O=C(NC[C@H]1CCCOC1)C1CC[NH2+]CC1 ZINC000038046060 182239783 /nfs/dbraw/zinc/23/97/83/182239783.db2.gz KAZYUVUWWSVHKK-SNVBAGLBSA-N 1 0 226.320 0.529 10 0 BCAERO O=C(NC[C@H]1CCCCO1)[C@H]1CC[NH2+]C1 ZINC000062116557 182236231 /nfs/dbraw/zinc/23/62/31/182236231.db2.gz RHPNEWOMPJTYHY-VHSXEESVSA-N 1 0 212.293 0.281 10 0 BCAERO CC(C)[C@H]1CC[C@@H](S(N)(=O)=O)C[NH2+]1 ZINC000070632484 374168307 /nfs/dbraw/zinc/16/83/07/374168307.db2.gz CVWAGSZXUORAHX-HTQZYQBOSA-N 1 0 206.311 0.052 10 0 BCAERO O=C(NC[C@H]1CCC[NH2+]C1)C1CCOCC1 ZINC000044501544 182238045 /nfs/dbraw/zinc/23/80/45/182238045.db2.gz OBZKTKBZRAKJAG-JTQLQIEISA-N 1 0 226.320 0.529 10 0 BCAERO O=C(NC[C@H]1Cc2ccccc2O1)[C@@H]1CCC[NH2+]1 ZINC000037985617 182247452 /nfs/dbraw/zinc/24/74/52/182247452.db2.gz XORDXWCGIHXROC-NEPJUHHUSA-N 1 0 246.310 0.858 10 0 BCAERO O=C(NC[C@H]1Cc2ccccc2O1)[C@@H]1CC[NH2+]C1 ZINC000062115426 182247884 /nfs/dbraw/zinc/24/78/84/182247884.db2.gz PGNIBFMRGFWILB-VXGBXAGGSA-N 1 0 246.310 0.716 10 0 BCAERO [NH3+][C@H]1CCCCN1S(=O)(=O)C1CC1 ZINC000070909190 374228160 /nfs/dbraw/zinc/22/81/60/374228160.db2.gz OMFSCRLMKCDRFR-MRVPVSSYSA-N 1 0 204.295 0.249 10 0 BCAERO CON(C)C(=O)[C@]1([NH3+])CCC[C@H](C)C1 ZINC000070904548 374228172 /nfs/dbraw/zinc/22/81/72/374228172.db2.gz GMMDVDMJHOLCGE-WPRPVWTQSA-N 1 0 200.282 0.914 10 0 BCAERO Cc1nc(C)c(C[NH2+]C[C@@H]2CN(C)CCO2)o1 ZINC000383063642 374272499 /nfs/dbraw/zinc/27/24/99/374272499.db2.gz ODSAILOFFXRTNR-LLVKDONJSA-N 1 0 239.319 0.712 10 0 BCAERO [NH3+][C@H](C[C@H]1CCS(=O)(=O)C1)C1CC1 ZINC000071003118 374240751 /nfs/dbraw/zinc/24/07/51/374240751.db2.gz DZDQSIBMFPYFPL-VXNVDRBHSA-N 1 0 203.307 0.549 10 0 BCAERO [NH3+][C@@H](C[C@H]1CCS(=O)(=O)C1)C1CC1 ZINC000071003120 374240838 /nfs/dbraw/zinc/24/08/38/374240838.db2.gz DZDQSIBMFPYFPL-APPZFPTMSA-N 1 0 203.307 0.549 10 0 BCAERO O=C(NCc1nccs1)[C@@H]1CC[NH2+]C1 ZINC000062116368 182273914 /nfs/dbraw/zinc/27/39/14/182273914.db2.gz NQNNNMGTUHTADK-SSDOTTSWSA-N 1 0 211.290 0.369 10 0 BCAERO O=C(NN1CCCCC1)C1CC[NH2+]CC1 ZINC000000251559 182276896 /nfs/dbraw/zinc/27/68/96/182276896.db2.gz GXPLAPKPVCZROZ-UHFFFAOYSA-N 1 0 211.309 0.503 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCCO[C@@H](C)C1 ZINC000223925652 259570439 /nfs/dbraw/zinc/57/04/39/259570439.db2.gz LXIOFFUOGZBCBH-OUAUKWLOSA-N 1 0 226.320 0.479 10 0 BCAERO O=C(N[C@@H]1CCCOC1)[C@H]1CCCC[NH2+]1 ZINC000071023602 182295206 /nfs/dbraw/zinc/29/52/06/182295206.db2.gz URICTURZKWPDFC-NXEZZACHSA-N 1 0 212.293 0.424 10 0 BCAERO O=C(N[C@@H]1CCC[NH2+]C1)c1ccc(O)cc1O ZINC000070140078 182295336 /nfs/dbraw/zinc/29/53/36/182295336.db2.gz VDLRXNJQAAWVIP-MRVPVSSYSA-N 1 0 236.271 0.580 10 0 BCAERO O=C(N[C@@H](CO)c1ccccc1)C1CC[NH2+]CC1 ZINC000063003707 182287035 /nfs/dbraw/zinc/28/70/35/182287035.db2.gz RFQQCNPYJJYIIZ-ZDUSSCGKSA-N 1 0 248.326 0.836 10 0 BCAERO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]12)c1ncccc1O ZINC000049570582 182304094 /nfs/dbraw/zinc/30/40/94/182304094.db2.gz JWAVVAUBCVDNPB-NXEZZACHSA-N 1 0 247.298 0.754 10 0 BCAERO O=C(N[C@@H]1CC[NH2+]C[C@@H]1O)c1ccccc1 ZINC000036456654 182304220 /nfs/dbraw/zinc/30/42/20/182304220.db2.gz OQYITJFGEOOJPO-MNOVXSKESA-N 1 0 220.272 0.139 10 0 BCAERO O=C(N[C@H](CO)c1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000063003714 182324656 /nfs/dbraw/zinc/32/46/56/182324656.db2.gz MBFDVYVJZFLPKY-QWHCGFSZSA-N 1 0 248.326 0.836 10 0 BCAERO O=C(Nc1cccnc1Cl)[C@@H]1C[NH2+]CCO1 ZINC000043708653 182385268 /nfs/dbraw/zinc/38/52/68/182385268.db2.gz CPNOBGLLBAEPEM-QMMMGPOBSA-N 1 0 241.678 0.662 10 0 BCAERO O=C(Nc1cccnc1Cl)[C@H]1C[C@H](O)C[NH2+]1 ZINC000037019998 182385371 /nfs/dbraw/zinc/38/53/71/182385371.db2.gz GRBBXWKSKVDZGN-POYBYMJQSA-N 1 0 241.678 0.396 10 0 BCAERO O=C([C@H]1CCC[NH2+]C1)N1CCC[C@@H]1CCCO ZINC000052763577 182635941 /nfs/dbraw/zinc/63/59/41/182635941.db2.gz URYZYCHNHZQAIA-NWDGAFQWSA-N 1 0 240.347 0.750 10 0 BCAERO O=C1NCCCC[C@H]1[NH2+]Cc1cncnc1 ZINC000054767442 182799789 /nfs/dbraw/zinc/79/97/89/182799789.db2.gz FSLSHOQYBHDXEV-SNVBAGLBSA-N 1 0 220.276 0.235 10 0 BCAERO O=S(=O)(NCC1CCC1)C1CC[NH2+]CC1 ZINC000049643073 182895863 /nfs/dbraw/zinc/89/58/63/182895863.db2.gz CGERKWYQNMXWOL-UHFFFAOYSA-N 1 0 232.349 0.458 10 0 BCAERO CCCNC(=O)CCC(=O)NCC[C@@H](C)[NH3+] ZINC000178680937 134312733 /nfs/dbraw/zinc/31/27/33/134312733.db2.gz MUTSNYVQIAVBIJ-SECBINFHSA-N 1 0 229.324 0.146 10 0 BCAERO O=S1(=O)CCC([NH2+][C@H]2CCC[C@@H](O)C2)CC1 ZINC000037166322 182907337 /nfs/dbraw/zinc/90/73/37/182907337.db2.gz CBWGSWFKGITXNJ-WDEREUQCSA-N 1 0 247.360 0.457 10 0 BCAERO O=S1(=O)CC[C@@H]([NH2+][C@H]2C[C@@H]3CC[C@H]2C3)C1 ZINC000042290049 182911944 /nfs/dbraw/zinc/91/19/44/182911944.db2.gz ZTZPOXVQQZOACA-YTWAJWBKSA-N 1 0 229.345 0.952 10 0 BCAERO O=S1CCC([NH2+]C2CCC(O)CC2)CC1 ZINC000042335664 182917349 /nfs/dbraw/zinc/91/73/49/182917349.db2.gz UQGULVNLNPVOHI-UHFFFAOYSA-N 1 0 231.361 0.791 10 0 BCAERO O=[S@@](C[C@@H]1CC[NH2+]C1)c1ncc(F)cn1 ZINC000095072010 182962960 /nfs/dbraw/zinc/96/29/60/182962960.db2.gz KOUCXPGLWFJUEZ-KWKYVRJSSA-N 1 0 229.280 0.333 10 0 BCAERO O=[S@@](c1nccs1)[C@@H]1CC[NH2+]C1 ZINC000095072996 182964425 /nfs/dbraw/zinc/96/44/25/182964425.db2.gz FJMGQZGQTROLJN-INWYIAFRSA-N 1 0 202.304 0.613 10 0 BCAERO O=[S@](c1ccnc(Cl)n1)[C@H]1CC[NH2+]C1 ZINC000095070094 182968263 /nfs/dbraw/zinc/96/82/63/182968263.db2.gz CFRJWVKBAJWORG-DXRPGJJCSA-N 1 0 231.708 0.600 10 0 BCAERO O=c1ccn(CCC[C@H]2CCC[NH2+]2)c(=O)[nH]1 ZINC000052764843 183003388 /nfs/dbraw/zinc/00/33/88/183003388.db2.gz JRJLMHLUKUILBP-SECBINFHSA-N 1 0 223.276 0.069 10 0 BCAERO O=c1ccnc(SC[C@H]2CCC[NH2+]C2)[nH]1 ZINC000043471710 183005480 /nfs/dbraw/zinc/00/54/80/183005480.db2.gz ZEKUWWRQMKKYMG-QMMMGPOBSA-N 1 0 225.317 0.862 10 0 BCAERO OCC1([NH+]2CCNCC2)CCCCCC1 ZINC000038120610 183036721 /nfs/dbraw/zinc/03/67/21/183036721.db2.gz RRIQVNOBTPJWSG-UHFFFAOYSA-N 1 0 212.337 0.977 10 0 BCAERO OCCC[N@@H+]1CCCN(c2cccnn2)CC1 ZINC000105909116 183053803 /nfs/dbraw/zinc/05/38/03/183053803.db2.gz ZNUGFJAXEYWQNR-UHFFFAOYSA-N 1 0 236.319 0.371 10 0 BCAERO O=c1[nH]cnc2c(C[NH2+]CCCO)c[nH]c21 ZINC000040421314 183059154 /nfs/dbraw/zinc/05/91/54/183059154.db2.gz MUFJUYIJQHSIBI-UHFFFAOYSA-N 1 0 222.248 0.136 10 0 BCAERO OCC[NH+]1CCC(Nc2cccnn2)CC1 ZINC000174740036 183073344 /nfs/dbraw/zinc/07/33/44/183073344.db2.gz RNOFSDUOWJCRHT-UHFFFAOYSA-N 1 0 222.292 0.345 10 0 BCAERO OCC[N@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000249555432 183077613 /nfs/dbraw/zinc/07/76/13/183077613.db2.gz JNNPSMNHIULYNT-QWRGUYRKSA-N 1 0 227.329 0.748 10 0 BCAERO OCCOCCN1CCCC[C@H]1C[NH2+]C1CC1 ZINC000104418656 183082439 /nfs/dbraw/zinc/08/24/39/183082439.db2.gz WMADBZWYXZEXHC-ZDUSSCGKSA-N 1 0 242.363 0.602 10 0 BCAERO OCCOCCN1CC[NH2+]Cc2ccccc21 ZINC000062819044 183084821 /nfs/dbraw/zinc/08/48/21/183084821.db2.gz QAARHRDENYFWJO-UHFFFAOYSA-N 1 0 236.315 0.605 10 0 BCAERO OC[C@@H](c1cccs1)N1CC[NH2+]CC1 ZINC000041226397 183114218 /nfs/dbraw/zinc/11/42/18/183114218.db2.gz CSDGWICQSHDDSC-VIFPVBQESA-N 1 0 212.318 0.687 10 0 BCAERO OC[C@@H](Cc1ccccc1)N1CC[NH2+]CC1 ZINC000038120778 183106315 /nfs/dbraw/zinc/10/63/15/183106315.db2.gz LQIZSRAETNNCHI-CYBMUJFWSA-N 1 0 220.316 0.495 10 0 BCAERO OC[C@@]1(N2CC[NH2+]CC2)CCCSC1 ZINC000061590893 183133689 /nfs/dbraw/zinc/13/36/89/183133689.db2.gz ZKIVWEYSBSUBHE-JTQLQIEISA-N 1 0 216.350 0.150 10 0 BCAERO CCCN(C(=O)[C@@H]1C[C@H](O)C[NH2+]1)C1CC1 ZINC000037097381 169045349 /nfs/dbraw/zinc/04/53/49/169045349.db2.gz MFUBGWINNVQAMR-UWVGGRQHSA-N 1 0 212.293 0.110 10 0 BCAERO OC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccc2c[nH]nc2c1 ZINC000376296142 183156182 /nfs/dbraw/zinc/15/61/82/183156182.db2.gz MNHULBIUQJZAQA-NEPJUHHUSA-N 1 0 247.298 0.490 10 0 BCAERO OC[C@H]1C[C@H](O)C[N@@H+]1CCc1cccnc1 ZINC000185149675 183156438 /nfs/dbraw/zinc/15/64/38/183156438.db2.gz BYRXIUDRTUZRAI-NEPJUHHUSA-N 1 0 222.288 0.052 10 0 BCAERO OC[C@H]1C[C@H](O)C[N@@H+]1CCc1ccccn1 ZINC000184730411 183156653 /nfs/dbraw/zinc/15/66/53/183156653.db2.gz FYWYETZMBAKRGZ-NEPJUHHUSA-N 1 0 222.288 0.052 10 0 BCAERO CCCN(C(C)C)[C@@H]1CS(=O)(=O)C[C@@H]1[NH3+] ZINC000054492928 169049501 /nfs/dbraw/zinc/04/95/01/169049501.db2.gz DLLRAEZWGSLERL-VHSXEESVSA-N 1 0 234.365 0.231 10 0 BCAERO CCCN(C)C(=O)[C@@H]1C[C@@H](OC)C[NH2+]1 ZINC000040631563 169058752 /nfs/dbraw/zinc/05/87/52/169058752.db2.gz FXUIMHHNJWTYAZ-BDAKNGLRSA-N 1 0 200.282 0.232 10 0 BCAERO O[C@@H]1CC[NH2+]C[C@@H]1CCc1ccccn1 ZINC000076640658 183200344 /nfs/dbraw/zinc/20/03/44/183200344.db2.gz BVMHALCUWWTHSP-CMPLNLGQSA-N 1 0 206.289 0.985 10 0 BCAERO O[C@H]1CC[C@H]([NH2+]Cc2cnccn2)CC1 ZINC000100280028 183201755 /nfs/dbraw/zinc/20/17/55/183201755.db2.gz GOTZFFUNPFMUPI-JGZJWPJOSA-N 1 0 207.277 0.870 10 0 BCAERO O[C@@H]1C[NH2+]C[C@H]1Oc1cccc2cccnc21 ZINC000104230997 183208554 /nfs/dbraw/zinc/20/85/54/183208554.db2.gz QIRUNLPTHZKIIX-ZYHUDNBSSA-N 1 0 230.267 0.946 10 0 BCAERO CCCN(CC(=O)OC)C(=O)[C@H]([NH3+])CC(C)C ZINC000037813063 169100129 /nfs/dbraw/zinc/10/01/29/169100129.db2.gz XKDMLXXDHSSAAT-SNVBAGLBSA-N 1 0 244.335 0.771 10 0 BCAERO CCCN(CC(=O)OC)C(=O)[C@H]1CCC[NH2+]C1 ZINC000037813026 169100165 /nfs/dbraw/zinc/10/01/65/169100165.db2.gz LUCPUIXATZACHG-JTQLQIEISA-N 1 0 242.319 0.398 10 0 BCAERO CCCN(CC(=O)OC)C(=O)[C@H]1C[NH2+]C[C@H]1C ZINC000104225642 169100433 /nfs/dbraw/zinc/10/04/33/169100433.db2.gz FHGMOOJVYJCRAT-ZJUUUORDSA-N 1 0 242.319 0.254 10 0 BCAERO CCC[N@H+](C)[C@]1(CN)CN2CCC1CC2 ZINC000037098096 169087780 /nfs/dbraw/zinc/08/77/80/169087780.db2.gz XXPBWQAEXNSJBD-GFCCVEGCSA-N 1 0 211.353 0.751 10 0 BCAERO O[C@@H]1COC[C@H]1[NH2+]CCc1ccccc1F ZINC000037877388 183209867 /nfs/dbraw/zinc/20/98/67/183209867.db2.gz XVIJXNUUQCDMPP-VXGBXAGGSA-N 1 0 225.263 0.718 10 0 BCAERO CCCN(CC(=O)NC)C(=O)C[NH2+][C@H](C)CC ZINC000038101075 169093053 /nfs/dbraw/zinc/09/30/53/169093053.db2.gz ITUPEHBYKIDZHY-SNVBAGLBSA-N 1 0 243.351 0.359 10 0 BCAERO CCCN(CC(=O)N(C)C)C(=O)[C@H]([NH3+])C(C)C ZINC000038101105 169093655 /nfs/dbraw/zinc/09/36/55/169093655.db2.gz JMPJVBCMBWKPNH-LLVKDONJSA-N 1 0 243.351 0.297 10 0 BCAERO CCCN(CC(=O)NC)C(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000091544185 169094542 /nfs/dbraw/zinc/09/45/42/169094542.db2.gz QYLLYJVZQINHTN-NXEZZACHSA-N 1 0 241.335 0.098 10 0 BCAERO CCCN(CC(=O)NC)C(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000091544184 169095401 /nfs/dbraw/zinc/09/54/01/169095401.db2.gz QYLLYJVZQINHTN-UWVGGRQHSA-N 1 0 241.335 0.098 10 0 BCAERO CCCN(CC(=O)NC)c1ncccc1C[NH3+] ZINC000042403524 169096232 /nfs/dbraw/zinc/09/62/32/169096232.db2.gz MBVQPLDWZVBHMI-UHFFFAOYSA-N 1 0 236.319 0.503 10 0 BCAERO O[C@H]1CC[NH2+]C[C@@H]1CCc1ccncc1 ZINC000076640675 183241465 /nfs/dbraw/zinc/24/14/65/183241465.db2.gz ZQKZCKDMUZMMPV-RYUDHWBXSA-N 1 0 206.289 0.985 10 0 BCAERO O[C@@H]1C[N@@H+](Cc2cccc3c2NCC3)C[C@@H]1O ZINC000236590902 183243201 /nfs/dbraw/zinc/24/32/01/183243201.db2.gz YYZJRKFPRGGYBC-TXEJJXNPSA-N 1 0 234.299 0.192 10 0 BCAERO O[C@H]1COC[C@@H]1[NH2+]CCc1ccsc1 ZINC000049180565 183246235 /nfs/dbraw/zinc/24/62/35/183246235.db2.gz JJOADLHWLXOPPC-UWVGGRQHSA-N 1 0 213.302 0.640 10 0 BCAERO O[C@H]1CCCC[C@@H]1[NH2+]Cc1ccncn1 ZINC000054789920 183232307 /nfs/dbraw/zinc/23/23/07/183232307.db2.gz LMTGKXQOXOOCEU-QWRGUYRKSA-N 1 0 207.277 0.870 10 0 BCAERO O[C@H]1CCC[C@@H]([NH2+]Cc2ccncn2)C1 ZINC000054789551 183235270 /nfs/dbraw/zinc/23/52/70/183235270.db2.gz PYYKHJAKGOFQFM-KOLCDFICSA-N 1 0 207.277 0.870 10 0 BCAERO O[C@H]1CCC[C@H]([NH2+]Cc2cnccn2)C1 ZINC000054766408 183236893 /nfs/dbraw/zinc/23/68/93/183236893.db2.gz ARYPDPKHAYFZJN-ONGXEEELSA-N 1 0 207.277 0.870 10 0 BCAERO CCC[NH+](CCC)CC(=O)N1NC(=O)C[C@@H]1C ZINC000096328079 169147174 /nfs/dbraw/zinc/14/71/74/169147174.db2.gz ZNQQPBBXFGKZML-JTQLQIEISA-N 1 0 241.335 0.760 10 0 BCAERO CCCN(CCC[NH3+])CC(=O)N[C@@H](C)COC ZINC000049290498 169155853 /nfs/dbraw/zinc/15/58/53/169155853.db2.gz VPWWHIFJWISZDR-NSHDSACASA-N 1 0 245.367 0.198 10 0 BCAERO CCCN(CCN1CCNC1=O)[C@@H]1CC[NH2+]C1 ZINC000071330931 169160111 /nfs/dbraw/zinc/16/01/11/169160111.db2.gz YFFZIALMDGBBBI-LLVKDONJSA-N 1 0 240.351 0.086 10 0 BCAERO O=c1ccnc(SC[C@H]2CC[NH2+]C2)[nH]1 ZINC000051890968 183305086 /nfs/dbraw/zinc/30/50/86/183305086.db2.gz YEKXTTAVQWUVFH-ZETCQYMHSA-N 1 0 211.290 0.884 10 0 BCAERO CCCN(c1ccnc(C(N)=O)c1)[C@H]1CC[NH2+]C1 ZINC000071332675 169183051 /nfs/dbraw/zinc/18/30/51/169183051.db2.gz GDFJFIXTXMXJDZ-NSHDSACASA-N 1 0 248.330 0.759 10 0 BCAERO CCCN1C(=O)C[C@H]([NH2+][C@@H]2CCCOC2)C1=O ZINC000103965420 169184289 /nfs/dbraw/zinc/18/42/89/169184289.db2.gz FQYLKEAAHFGEJD-ZJUUUORDSA-N 1 0 240.303 0.293 10 0 BCAERO CCCN1C(=O)C[C@@H]([NH2+]C[C@@H](C)N(C)C)C1=O ZINC000103119208 169184560 /nfs/dbraw/zinc/18/45/60/169184560.db2.gz FNRAZHNBKGQYAO-NXEZZACHSA-N 1 0 241.335 0.064 10 0 BCAERO CCC[NH+]1CCC([NH2+]CCOC)(C(=O)[O-])CC1 ZINC000053259831 169188019 /nfs/dbraw/zinc/18/80/19/169188019.db2.gz ZOLOTGPIMBWYMT-UHFFFAOYSA-N 1 0 244.335 0.552 10 0 BCAERO CCCN1CCN(C2CC[NH2+]CC2)C1=O ZINC000085004827 169202636 /nfs/dbraw/zinc/20/26/36/169202636.db2.gz ZNPFWPRRJJAVPZ-UHFFFAOYSA-N 1 0 211.309 0.886 10 0 BCAERO CCCN1CC[NH+](CC(N)=S)CC1 ZINC000019508440 169202798 /nfs/dbraw/zinc/20/27/98/169202798.db2.gz OTUKBLDNSDHPSX-UHFFFAOYSA-N 1 0 201.339 0.300 10 0 BCAERO CCCNC(=O)CNC(=O)[C@@H]1CCC[C@H](C)[NH2+]1 ZINC000036781275 169225380 /nfs/dbraw/zinc/22/53/80/169225380.db2.gz AZIKQLBYZYUSCC-UWVGGRQHSA-N 1 0 241.335 0.159 10 0 BCAERO CCCNC(=O)C[NH2+]CCC(=O)N[C@H](C)CC ZINC000038014826 169226134 /nfs/dbraw/zinc/22/61/34/169226134.db2.gz WZAUUZBSSPFFMX-SNVBAGLBSA-N 1 0 243.351 0.407 10 0 BCAERO CCCNC(=O)C[NH2+]Cc1ccccc1C(N)=O ZINC000036781110 169228093 /nfs/dbraw/zinc/22/80/93/169228093.db2.gz YPECENRIZQUDEP-UHFFFAOYSA-N 1 0 249.314 0.401 10 0 BCAERO CCCNC(=O)CN[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000049565477 169229074 /nfs/dbraw/zinc/22/90/74/169229074.db2.gz CUBFMNHYLPXJBG-NWDGAFQWSA-N 1 0 239.363 0.729 10 0 BCAERO CCCNC(=O)C[NH2+][C@H](C)CCOC ZINC000045019355 169229552 /nfs/dbraw/zinc/22/95/52/169229552.db2.gz LMJLASFKRUFTGF-SECBINFHSA-N 1 0 202.298 0.527 10 0 BCAERO CCCNC(=O)COCC1CC[NH2+]CC1 ZINC000031840064 169230884 /nfs/dbraw/zinc/23/08/84/169230884.db2.gz XEXJCWMDVOOGGE-UHFFFAOYSA-N 1 0 214.309 0.529 10 0 BCAERO CCCNC(=O)CCNC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000091546889 169217004 /nfs/dbraw/zinc/21/70/04/169217004.db2.gz NVRFQWJPAOLOBJ-UWVGGRQHSA-N 1 0 241.335 0.146 10 0 BCAERO CCCNC(=O)CC[NH2+][C@@H]1CN2CCC1CC2 ZINC000045072464 169217469 /nfs/dbraw/zinc/21/74/69/169217469.db2.gz VQLJXAWMTNWTGN-GFCCVEGCSA-N 1 0 239.363 0.587 10 0 BCAERO CCC[NH2+]CCCN(CC)S(C)(=O)=O ZINC000038035442 169257284 /nfs/dbraw/zinc/25/72/84/169257284.db2.gz FZUBEIIVLKHDFK-UHFFFAOYSA-N 1 0 222.354 0.658 10 0 BCAERO c1nnc(C[C@@H]2COCC[NH2+]2)n1-c1ccccc1 ZINC000076167552 183386364 /nfs/dbraw/zinc/38/63/64/183386364.db2.gz LGWUNHGETWIERI-LLVKDONJSA-N 1 0 244.298 0.798 10 0 BCAERO CCC[NH2+]C[C@@H](O)CN1C(=O)CCCCC1=O ZINC000035327937 169262270 /nfs/dbraw/zinc/26/22/70/169262270.db2.gz VQMWKBOSAKOUMX-SNVBAGLBSA-N 1 0 242.319 0.276 10 0 BCAERO c1cc2cc(c1)NCC[NH2+]CCNCCN2 ZINC000039124198 183374890 /nfs/dbraw/zinc/37/48/90/183374890.db2.gz IXWIIPSJBDNMGS-UHFFFAOYSA-N 1 0 220.320 0.703 10 0 BCAERO CCCNC(=O)[C@H](C)NC(=O)[C@@]1(C)CC[NH2+]C1 ZINC000062892197 169246706 /nfs/dbraw/zinc/24/67/06/169246706.db2.gz MWVUUCGBWQFLFG-CABZTGNLSA-N 1 0 241.335 0.017 10 0 BCAERO CCC[NH2+][C@H](C)Cn1cnc2c(cnn2C)c1=O ZINC000109363647 169286094 /nfs/dbraw/zinc/28/60/94/169286094.db2.gz QZCVQAPVBIYNOE-SECBINFHSA-N 1 0 249.318 0.518 10 0 BCAERO CCC[NH2+][C@H](C)CN1C(=O)C[C@H](C)C1=O ZINC000044472878 169286474 /nfs/dbraw/zinc/28/64/74/169286474.db2.gz CRTYWIOTDBPNQW-DTWKUNHWSA-N 1 0 212.293 0.770 10 0 BCAERO c1nn(-c2ccccn2)c2c1C[NH2+]CC2 ZINC000082809126 183387822 /nfs/dbraw/zinc/38/78/22/183387822.db2.gz DOPMTVWJAHUHNC-UHFFFAOYSA-N 1 0 200.245 0.913 10 0 BCAERO CCC[NH2+]Cc1c(C)nn(C)c1-n1cncn1 ZINC000034825208 169266071 /nfs/dbraw/zinc/26/60/71/169266071.db2.gz VMCRUDDISXIRJP-UHFFFAOYSA-N 1 0 234.307 0.809 10 0 BCAERO CCCNS(=O)(=O)c1cccc(C[NH3+])c1 ZINC000022166424 169272553 /nfs/dbraw/zinc/27/25/53/169272553.db2.gz YPSKMISCIRGRKQ-UHFFFAOYSA-N 1 0 228.317 0.834 10 0 BCAERO CCCNS(=O)(=O)c1ccccc1C[NH3+] ZINC000022213155 169273248 /nfs/dbraw/zinc/27/32/48/169273248.db2.gz IYMIUBBVUIAUCG-UHFFFAOYSA-N 1 0 228.317 0.834 10 0 BCAERO CCC[NH2+][C@@](C)(CN1CCCCC1)C(N)=O ZINC000045229967 169283578 /nfs/dbraw/zinc/28/35/78/169283578.db2.gz UYAWXJTWWRMXLC-LBPRGKRZSA-N 1 0 227.352 0.716 10 0 BCAERO CCCS(=O)(=O)N(CC[NH3+])C(C)C ZINC000020183292 169330758 /nfs/dbraw/zinc/33/07/58/169330758.db2.gz GLLMFRWLVOVOEJ-UHFFFAOYSA-N 1 0 208.327 0.395 10 0 BCAERO CCCS(=O)(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000061883924 169333159 /nfs/dbraw/zinc/33/31/59/169333159.db2.gz NSLNBPWWUOMCCY-DTWKUNHWSA-N 1 0 220.338 0.443 10 0 BCAERO CCCS(=O)(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000061883925 169333529 /nfs/dbraw/zinc/33/35/29/169333529.db2.gz NSLNBPWWUOMCCY-IUCAKERBSA-N 1 0 220.338 0.443 10 0 BCAERO CCC[C@@H](C(=O)NC[C@@](C)(O)CC)[NH+](C)C ZINC000120827515 169345462 /nfs/dbraw/zinc/34/54/62/169345462.db2.gz LUPPOLPPQHIMOJ-JQWIXIFHSA-N 1 0 230.352 0.994 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)N(CCOC)[C@H](C)COC ZINC000042610251 169387676 /nfs/dbraw/zinc/38/76/76/169387676.db2.gz KKBNBUNQSFNQBT-GHMZBOCLSA-N 1 0 246.351 0.624 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)N1CCC[C@@H](CC(N)=O)C1 ZINC000236905180 169388120 /nfs/dbraw/zinc/38/81/20/169388120.db2.gz DDCIEWLXXWWDAL-VHSXEESVSA-N 1 0 241.335 0.228 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)N(CC)CC(=O)NC(C)C ZINC000037798162 169386499 /nfs/dbraw/zinc/38/64/99/169386499.db2.gz PFVQXQBUTULXLS-SNVBAGLBSA-N 1 0 243.351 0.487 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)N(C)CCNC(=O)C(C)C ZINC000236891606 169386933 /nfs/dbraw/zinc/38/69/33/169386933.db2.gz UXEMJSSSUJLIHI-SNVBAGLBSA-N 1 0 243.351 0.344 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)NC[C@H](C)C(=O)OC ZINC000236957751 169389433 /nfs/dbraw/zinc/38/94/33/169389433.db2.gz NXLCDOUVJNOLME-JGVFFNPUSA-N 1 0 216.281 0.039 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)NCCCO[C@H]1CCOC1 ZINC000119610076 169389437 /nfs/dbraw/zinc/38/94/37/169389437.db2.gz XFYNZLZQUCPVHO-WDEREUQCSA-N 1 0 244.335 0.426 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)NCC(C)(C)C(=O)NC ZINC000226691763 169389839 /nfs/dbraw/zinc/38/98/39/169389839.db2.gz DXUTXFFGSRLUMO-MRVPVSSYSA-N 1 0 229.324 0.002 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)NC[C@H](O)C1CC1 ZINC000070890525 169389850 /nfs/dbraw/zinc/38/98/50/169389850.db2.gz IFINCSXTARHJMS-BDAKNGLRSA-N 1 0 200.282 0.001 10 0 BCAERO CCO[C@@H]1C[C@@H]1C(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000178868617 134316053 /nfs/dbraw/zinc/31/60/53/134316053.db2.gz HNBBNOPVFYBVEI-ADEWGFFLSA-N 1 0 240.347 0.997 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)N1CC[C@H](COCC)C1 ZINC000236911191 169388415 /nfs/dbraw/zinc/38/84/15/169388415.db2.gz ADSHDYWMPBMEHB-WDEREUQCSA-N 1 0 228.336 0.999 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)NCC[S@](=O)C(C)(C)C ZINC000236948592 169389118 /nfs/dbraw/zinc/38/91/18/169389118.db2.gz INZLEYRQROQGBK-ABKXIKBNSA-N 1 0 248.392 0.777 10 0 BCAERO Cc1ccccc1C[N@@H+]1C[C@H](O)C[C@@H]1CO ZINC000179176788 134318028 /nfs/dbraw/zinc/31/80/28/134318028.db2.gz HWDUMFFGKOQKKB-CHWSQXEVSA-N 1 0 221.300 0.923 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)N[C@@H]1CCN(C(=O)CC)C1 ZINC000236988869 169391000 /nfs/dbraw/zinc/39/10/00/169391000.db2.gz VSYIYNZLTAGETI-NXEZZACHSA-N 1 0 241.335 0.241 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)N[C@H](CC)C(=O)OC ZINC000236998163 169392281 /nfs/dbraw/zinc/39/22/81/169392281.db2.gz LEFUGFPJLGNRHA-HTQZYQBOSA-N 1 0 216.281 0.182 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)N[C@H](CC)CCO ZINC000163258315 169392423 /nfs/dbraw/zinc/39/24/23/169392423.db2.gz VVEUTIPMJKEMOD-RKDXNWHRSA-N 1 0 202.298 0.391 10 0 BCAERO CC(C)[C@@H](CO)[NH2+]Cc1nnc(C2CC2)n1C ZINC000180614650 134330331 /nfs/dbraw/zinc/33/03/31/134330331.db2.gz LGMNCABNTPVOHD-SNVBAGLBSA-N 1 0 238.335 0.799 10 0 BCAERO C[C@H](CC(N)=O)[NH2+][C@H]1CC[C@@H]([NH+](C)C)C1 ZINC000222739545 134334306 /nfs/dbraw/zinc/33/43/06/134334306.db2.gz KIYZYXFCQAHWNL-KXUCPTDWSA-N 1 0 213.325 0.323 10 0 BCAERO CC(C)(C)OC(=O)N1CCN2CC[C@H]([NH3+])[C@@H]2C1 ZINC000096988023 166650126 /nfs/dbraw/zinc/65/01/26/166650126.db2.gz PFBRMUDBISRVFC-UWVGGRQHSA-N 1 0 241.335 0.639 10 0 BCAERO CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](C[NH3+])CC1 ZINC000076688634 166653209 /nfs/dbraw/zinc/65/32/09/166653209.db2.gz GHOXTUPNXJHEIC-UWVGGRQHSA-N 1 0 244.335 0.953 10 0 BCAERO CCC[C@H](C)N(C)C(=O)C(=O)N1CC[NH2+]CC1 ZINC000036791699 169484896 /nfs/dbraw/zinc/48/48/96/169484896.db2.gz GHJQGXTXPHNNMX-JTQLQIEISA-N 1 0 241.335 0.065 10 0 BCAERO CCC[C@H]([NH3+])C(=O)NC[C@H](C)C(=O)OC(C)C ZINC000236872593 169501888 /nfs/dbraw/zinc/50/18/88/169501888.db2.gz NCCZJNKVXXTWGX-UWVGGRQHSA-N 1 0 244.335 0.818 10 0 BCAERO CCC[C@H]([NH3+])C(=O)Nc1cc(C)nn1C ZINC000223762832 169503348 /nfs/dbraw/zinc/50/33/48/169503348.db2.gz OQWWZDKKLPQJOS-QMMMGPOBSA-N 1 0 210.281 0.794 10 0 BCAERO COC[C@H](CCO)[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000224674818 134349317 /nfs/dbraw/zinc/34/93/17/134349317.db2.gz LFEWFSUEJHXIMK-YFKTTZPYSA-N 1 0 243.347 0.787 10 0 BCAERO COC[C@H](O)CC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000224772615 134350236 /nfs/dbraw/zinc/35/02/36/134350236.db2.gz GSPODGVBXUBFIL-KXNHARMFSA-N 1 0 243.347 0.787 10 0 BCAERO CCC[C@]1(C(=O)N[C@H](C)C(=O)NC)CC[NH2+]C1 ZINC000062901453 169555465 /nfs/dbraw/zinc/55/54/65/169555465.db2.gz IAHISQBEBQNSKL-SKDRFNHKSA-N 1 0 241.335 0.017 10 0 BCAERO CCN(C(=O)Cn1cccn1)[C@@H]1CCC[NH2+]C1 ZINC000037541168 169640491 /nfs/dbraw/zinc/64/04/91/169640491.db2.gz FSXUDSOZZCCIII-LLVKDONJSA-N 1 0 236.319 0.484 10 0 BCAERO OCC[C@@H]1CC[N@@H+]([C@H]2CCCC[C@@H]2O)C1 ZINC000226254252 134361854 /nfs/dbraw/zinc/36/18/54/134361854.db2.gz QZWQSHLQJATTLB-SRVKXCTJSA-N 1 0 213.321 0.994 10 0 BCAERO CC(C)CCOCC[N@@H+]1C[C@@H](O)C[C@@H]1CO ZINC000185157696 134372378 /nfs/dbraw/zinc/37/23/78/134372378.db2.gz JYEUMQLQTFJDGU-NEPJUHHUSA-N 1 0 231.336 0.477 10 0 BCAERO CC1(CO)CC[NH+](CC2(O)CCC2)CC1 ZINC000336572227 168049327 /nfs/dbraw/zinc/04/93/27/168049327.db2.gz RBOOVDSBIJDXEL-UHFFFAOYSA-N 1 0 213.321 0.996 10 0 BCAERO CN(C)c1nccnc1O[C@H]1CC[N@H+](C)C1 ZINC000257180610 383860662 /nfs/dbraw/zinc/86/06/62/383860662.db2.gz LIISZORVFICFOF-VIFPVBQESA-N 1 0 222.292 0.626 10 0 BCAERO C[NH2+][C@@H]1CCC2(C[C@H]1N(C)C)OCCO2 ZINC000043815910 383867805 /nfs/dbraw/zinc/86/78/05/383867805.db2.gz VVVLYOVSAAKPCH-NXEZZACHSA-N 1 0 214.309 0.432 10 0 BCAERO CC[NH2+][C@@]1(C(=O)[O-])CC[N@@H+]2CCC[C@@H]2C1 ZINC000156490191 383870641 /nfs/dbraw/zinc/87/06/41/383870641.db2.gz YGGONDVGGZWENH-KOLCDFICSA-N 1 0 212.293 0.678 10 0 BCAERO CC(C)C(=O)C[N@@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000156484457 383873610 /nfs/dbraw/zinc/87/36/10/383873610.db2.gz POAGLBGZRRSIJK-AXFHLTTASA-N 1 0 211.305 0.914 10 0 BCAERO CCOc1cncc(N[C@H]2CC[NH2+]C2)n1 ZINC000070580099 383935059 /nfs/dbraw/zinc/93/50/59/383935059.db2.gz DGSSXLDNHVXBAL-QMMMGPOBSA-N 1 0 208.265 0.649 10 0 BCAERO COC(C)(C)CN(C)C(=O)[C@H]1C[NH2+]CCOC1 ZINC000643737184 383924430 /nfs/dbraw/zinc/92/44/30/383924430.db2.gz YUIGIPYVMQVBOJ-JTQLQIEISA-N 1 0 244.335 0.106 10 0 BCAERO O=C([C@H]1C[NH2+]CCOC1)N1CCCCC1 ZINC000643737443 383924490 /nfs/dbraw/zinc/92/44/90/383924490.db2.gz AWMYHSHUMKHUCC-JTQLQIEISA-N 1 0 212.293 0.235 10 0 BCAERO CS(=O)(=O)NCc1cccc(C[NH3+])c1 ZINC000036202267 383886374 /nfs/dbraw/zinc/88/63/74/383886374.db2.gz RMFMWMCBUWANLX-UHFFFAOYSA-N 1 0 214.290 0.195 10 0 BCAERO Cc1[nH]nc2c1nc(CC[NH3+])nc2Cl ZINC000089211964 383947632 /nfs/dbraw/zinc/94/76/32/383947632.db2.gz DXPHIVPXYXWDBD-UHFFFAOYSA-N 1 0 211.656 0.816 10 0 BCAERO CCCCNC(=O)[C@]1(COC)CCC[NH2+]1 ZINC000643614577 384018820 /nfs/dbraw/zinc/01/88/20/384018820.db2.gz CGMZGFSCDVHTJV-LLVKDONJSA-N 1 0 214.309 0.671 10 0 BCAERO CCC(CC)NC(=O)[C@H]1C[NH2+]CCOC1 ZINC000643615973 384006089 /nfs/dbraw/zinc/00/60/89/384006089.db2.gz DFNSIQIBGGYVHE-VIFPVBQESA-N 1 0 214.309 0.527 10 0 BCAERO CCCNC(=O)[C@]1(COC)CCC[NH2+]1 ZINC000643615993 384006859 /nfs/dbraw/zinc/00/68/59/384006859.db2.gz FAKVDLRROGHLDX-SNVBAGLBSA-N 1 0 200.282 0.281 10 0 BCAERO COC[C@@]1(C(=O)N[C@H](C)C(C)C)CCC[NH2+]1 ZINC000643617838 384014700 /nfs/dbraw/zinc/01/47/00/384014700.db2.gz QECKCWPOIOTWRG-ZYHUDNBSSA-N 1 0 228.336 0.916 10 0 BCAERO COC[C@@]1(C(=O)N[C@@H](C)C(C)C)CCC[NH2+]1 ZINC000643617835 384014946 /nfs/dbraw/zinc/01/49/46/384014946.db2.gz QECKCWPOIOTWRG-CMPLNLGQSA-N 1 0 228.336 0.916 10 0 BCAERO Nc1nc(=O)[nH]cc1C[NH+]1CCCCC1 ZINC000090587561 384061441 /nfs/dbraw/zinc/06/14/41/384061441.db2.gz LERLGQLCFIZUCN-UHFFFAOYSA-N 1 0 208.265 0.338 10 0 BCAERO C[C@@H]1CCN(C(=O)[C@H]2C[NH2+]CCOC2)C[C@H]1C ZINC000643779860 384061699 /nfs/dbraw/zinc/06/16/99/384061699.db2.gz UYQNXPQBWPTXAT-UTUOFQBUSA-N 1 0 240.347 0.727 10 0 BCAERO CC1(C)CCC[C@@H]1NC(=O)[C@@H]1C[NH2+]CCOC1 ZINC000643704549 384095398 /nfs/dbraw/zinc/09/53/98/384095398.db2.gz VHBWTOGFZRTQJN-MNOVXSKESA-N 1 0 240.347 0.917 10 0 BCAERO COC[C@]1(C(=O)N[C@@H](C)C2CC2)CCC[NH2+]1 ZINC000643621824 384096445 /nfs/dbraw/zinc/09/64/45/384096445.db2.gz ALCYQWFNIUGIGP-CABZTGNLSA-N 1 0 226.320 0.670 10 0 BCAERO O=C(NCCC1CC1)[C@@H]1C[NH2+]CCOC1 ZINC000643704577 384097220 /nfs/dbraw/zinc/09/72/20/384097220.db2.gz VMJMATDIQFLMOO-SNVBAGLBSA-N 1 0 212.293 0.139 10 0 BCAERO [NH3+]Cc1cccnc1Sc1nc[nH]n1 ZINC000035720036 384099869 /nfs/dbraw/zinc/09/98/69/384099869.db2.gz XSSSXVPSVAMWCW-UHFFFAOYSA-N 1 0 207.262 0.810 10 0 BCAERO Cn1nnnc1S[C@H]1CCC[C@@H]1C[NH3+] ZINC000035722707 384101744 /nfs/dbraw/zinc/10/17/44/384101744.db2.gz NPIZFDOHIVPSRT-RQJHMYQMSA-N 1 0 213.310 0.430 10 0 BCAERO CCC1(NC(=O)[C@H]2C[NH2+]CCOC2)CCC1 ZINC000643705039 384110839 /nfs/dbraw/zinc/11/08/39/384110839.db2.gz HOHPCDSRRLEMMB-JTQLQIEISA-N 1 0 226.320 0.671 10 0 BCAERO CNc1ccccc1C1=[NH+]CCNC1=O ZINC000072416601 384119922 /nfs/dbraw/zinc/11/99/22/384119922.db2.gz BZGHBTFKESYCGN-UHFFFAOYSA-N 1 0 203.245 0.647 10 0 BCAERO C[NH2+][C@H]1C[C@@H](CO)N(C(=O)OC(C)(C)C)C1 ZINC000040437567 384150571 /nfs/dbraw/zinc/15/05/71/384150571.db2.gz SQFNRLAFLMKLJX-IUCAKERBSA-N 1 0 230.308 0.576 10 0 BCAERO CN(C[C@@H]1CCC[C@H]1O)C(=O)[C@@H]1CC[NH2+]C1 ZINC000648167049 384150647 /nfs/dbraw/zinc/15/06/47/384150647.db2.gz QFUHHMDYQWAHPI-OUAUKWLOSA-N 1 0 226.320 0.215 10 0 BCAERO C[NH+](C)C[C@H]1CN(C(=O)c2ccoc2)CCO1 ZINC000116796092 384154970 /nfs/dbraw/zinc/15/49/70/384154970.db2.gz VXEAHNDVFUKLSX-NSHDSACASA-N 1 0 238.287 0.682 10 0 BCAERO C[C@H](O)CC[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000062982428 134395999 /nfs/dbraw/zinc/39/59/99/134395999.db2.gz IRIYUXQHEPPZCZ-RYUDHWBXSA-N 1 0 228.336 0.164 10 0 BCAERO CS[C@H](C)CNC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000163271282 384202121 /nfs/dbraw/zinc/20/21/21/384202121.db2.gz KWCDHDKSYTXLQH-IWSPIJDZSA-N 1 0 216.350 0.710 10 0 BCAERO CC(C)[C@@H](O)CNC(=O)[C@@H]([NH3+])C(C)C ZINC000163249680 384189164 /nfs/dbraw/zinc/18/91/64/384189164.db2.gz VZHBUMUNCWKVAK-IUCAKERBSA-N 1 0 202.298 0.103 10 0 BCAERO CC[C@@H](COC)NC(=O)[C@@]1(COC)CCC[NH2+]1 ZINC000643629091 384191855 /nfs/dbraw/zinc/19/18/55/384191855.db2.gz MNEWXSSYIVWHKX-JQWIXIFHSA-N 1 0 244.335 0.296 10 0 BCAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]Cc1cccn1C ZINC000282338666 384236797 /nfs/dbraw/zinc/23/67/97/384236797.db2.gz LYUAKHSFWJDBKZ-GXSJLCMTSA-N 1 0 221.304 0.782 10 0 BCAERO C[C@@H]1[C@@H](O)CCC[N@@H+]1CCc1cnccn1 ZINC000402904493 384238964 /nfs/dbraw/zinc/23/89/64/384238964.db2.gz NCLJAGBOUFQALU-PWSUYJOCSA-N 1 0 221.304 0.864 10 0 BCAERO CC[C@](C)(C[NH2+][C@@H]1CCCNC1=O)OC ZINC000319502827 384257363 /nfs/dbraw/zinc/25/73/63/384257363.db2.gz WKDQFDCJSLPFRQ-MWLCHTKSSA-N 1 0 214.309 0.670 10 0 BCAERO C[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C)c1ccnn1C ZINC000282391983 384260209 /nfs/dbraw/zinc/26/02/09/384260209.db2.gz RDXVPKXYKHSMRE-LPEHRKFASA-N 1 0 236.319 0.738 10 0 BCAERO COC[C@@]1(C(=O)Nc2cn[nH]c2)CCC[NH2+]1 ZINC000643642915 384269727 /nfs/dbraw/zinc/26/97/27/384269727.db2.gz FAVBLPZESXFYII-SNVBAGLBSA-N 1 0 224.264 0.117 10 0 BCAERO CC[C@H]1CCCN(C(=O)[C@H]2C[NH2+]CCOC2)C1 ZINC000643644593 384278126 /nfs/dbraw/zinc/27/81/26/384278126.db2.gz ZHMFIWJUVCGHCG-RYUDHWBXSA-N 1 0 240.347 0.871 10 0 BCAERO CC[C@H](C)N(C)C(=O)[C@@H]1C[NH2+]CCOC1 ZINC000643648104 384313183 /nfs/dbraw/zinc/31/31/83/384313183.db2.gz NGEAQROUBHUUII-VHSXEESVSA-N 1 0 214.309 0.479 10 0 BCAERO COC[C@@H](C)C(=O)NCC[NH2+]C(C)(C)C ZINC000174234652 384313630 /nfs/dbraw/zinc/31/36/30/384313630.db2.gz BKEOWCDTZUNEGJ-SECBINFHSA-N 1 0 216.325 0.773 10 0 BCAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)c1ccncc1 ZINC000335552861 384319240 /nfs/dbraw/zinc/31/92/40/384319240.db2.gz LDHIJMRAYIQJAX-PSASIEDQSA-N 1 0 205.261 0.643 10 0 BCAERO CO[C@H](C)C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000158879573 384280321 /nfs/dbraw/zinc/28/03/21/384280321.db2.gz HKSBESNXUWRJEN-MXWKQRLJSA-N 1 0 228.336 0.866 10 0 BCAERO [NH3+]C[C@@H]1CCCN1S(=O)(=O)CC1CC1 ZINC000083139603 384284758 /nfs/dbraw/zinc/28/47/58/384284758.db2.gz FCAFYZAKUZHBMN-VIFPVBQESA-N 1 0 218.322 0.149 10 0 BCAERO Cc1nccc(NCC(F)(F)CN)n1 ZINC000164927921 384335808 /nfs/dbraw/zinc/33/58/08/384335808.db2.gz JDPPRPIUJSWCJQ-UHFFFAOYSA-N 1 0 202.208 0.791 10 0 BCAERO Clc1nccnc1CN[C@H]1CCC[NH2+]C1 ZINC000095070364 384337278 /nfs/dbraw/zinc/33/72/78/384337278.db2.gz CNZIDRSCTXRCBI-QMMMGPOBSA-N 1 0 226.711 0.972 10 0 BCAERO Clc1nccnc1CNC[C@@H]1CCC[NH2+]1 ZINC000095070371 384337334 /nfs/dbraw/zinc/33/73/34/384337334.db2.gz WEBBYBRXDJSOFF-QMMMGPOBSA-N 1 0 226.711 0.972 10 0 BCAERO CN(c1nccc(Cl)n1)[C@@H]1CC[NH2+]C1 ZINC000095070540 384337505 /nfs/dbraw/zinc/33/75/05/384337505.db2.gz DAZVVOFJUFJMRX-SSDOTTSWSA-N 1 0 212.684 0.928 10 0 BCAERO CN(c1ncccc1O)[C@H]1CCC[NH2+]C1 ZINC000095070561 384337567 /nfs/dbraw/zinc/33/75/67/384337567.db2.gz ZHZNDPJHGLSNAL-VIFPVBQESA-N 1 0 207.277 0.975 10 0 BCAERO CN(C[C@H]1CCC[NH2+]C1)C(=O)c1cnccn1 ZINC000095071043 384338341 /nfs/dbraw/zinc/33/83/41/384338341.db2.gz QWUSSHLFLYGYTO-JTQLQIEISA-N 1 0 234.303 0.548 10 0 BCAERO CN(C[C@@H]1CCCC[NH2+]1)C(=O)c1cnccn1 ZINC000095070762 384339301 /nfs/dbraw/zinc/33/93/01/384339301.db2.gz DKSQWUTXFVBTEI-JTQLQIEISA-N 1 0 234.303 0.691 10 0 BCAERO CN(CC(=O)c1cnccn1)C[C@H]1CCC[NH2+]C1 ZINC000095071141 384339316 /nfs/dbraw/zinc/33/93/16/384339316.db2.gz LSMJAGZMHCWLPG-NSHDSACASA-N 1 0 248.330 0.591 10 0 BCAERO COc1nccnc1CN1CCC[C@@H](C[NH3+])C1 ZINC000095071610 384340325 /nfs/dbraw/zinc/34/03/25/384340325.db2.gz BVNDKBKHCXWOLH-JTQLQIEISA-N 1 0 236.319 0.656 10 0 BCAERO C[NH2+][C@H]1CCCN(CC(=O)c2cnccn2)C1 ZINC000095071494 384340755 /nfs/dbraw/zinc/34/07/55/384340755.db2.gz AFCBJIWDQFIRFM-JTQLQIEISA-N 1 0 234.303 0.343 10 0 BCAERO O=[S@@](c1ncc(F)cn1)[C@@H]1CCC[NH2+]C1 ZINC000095071993 384340772 /nfs/dbraw/zinc/34/07/72/384340772.db2.gz JLTMHVNHFOPFND-GLEZIHRCSA-N 1 0 229.280 0.475 10 0 BCAERO COc1nccnc1CN[C@@H]1CCC[NH2+]C1 ZINC000095071598 384340852 /nfs/dbraw/zinc/34/08/52/384340852.db2.gz GGMSVEWWXUKVHP-SECBINFHSA-N 1 0 222.292 0.327 10 0 BCAERO [NH3+][C@@H]1CCN(Cc2ccnc(Cl)n2)C1 ZINC000095072118 384341070 /nfs/dbraw/zinc/34/10/70/384341070.db2.gz KDQAMHFIWGXAIE-SSDOTTSWSA-N 1 0 212.684 0.663 10 0 BCAERO O=[S@@](c1ncc(F)cn1)[C@@H]1CC[NH2+]C1 ZINC000095071989 384341524 /nfs/dbraw/zinc/34/15/24/384341524.db2.gz ZBFCACTXJNXKPG-UOWDBTKRSA-N 1 0 215.253 0.085 10 0 BCAERO CSc1nccnc1CN1CC[C@@H](C[NH3+])C1 ZINC000095071908 384341626 /nfs/dbraw/zinc/34/16/26/384341626.db2.gz HUSIDOXBOFNLDE-VIFPVBQESA-N 1 0 238.360 0.979 10 0 BCAERO O=[S@@](CC1CC[NH2+]CC1)c1ncc(F)cn1 ZINC000095072014 384341868 /nfs/dbraw/zinc/34/18/68/384341868.db2.gz DURTURCZSMTMPL-MRXNPFEDSA-N 1 0 243.307 0.723 10 0 BCAERO O=[S@](C[C@H]1CCC[NH2+]C1)c1ncc(F)cn1 ZINC000095072009 384342018 /nfs/dbraw/zinc/34/20/18/384342018.db2.gz GZNRMAUCXBALPM-PWJLMRLQSA-N 1 0 243.307 0.723 10 0 BCAERO [NH3+][C@H]1CCN(c2nc3cccnc3[nH]2)C1 ZINC000095072150 384342099 /nfs/dbraw/zinc/34/20/99/384342099.db2.gz UZBBRNRFPSEDBS-ZETCQYMHSA-N 1 0 203.249 0.495 10 0 BCAERO [NH3+]C[C@H]1CCCN1CC(=O)c1nccs1 ZINC000095072624 384343148 /nfs/dbraw/zinc/34/31/48/384343148.db2.gz HEUWDCGXPVNPTH-MRVPVSSYSA-N 1 0 225.317 0.749 10 0 BCAERO [NH3+]C[C@@H]1CCN(c2ccnc(Cl)n2)C1 ZINC000095072654 384343458 /nfs/dbraw/zinc/34/34/58/384343458.db2.gz MAHDGAWKVIXAIQ-ZETCQYMHSA-N 1 0 212.684 0.915 10 0 BCAERO [NH3+]C[C@@H]1CCCCN1S(=O)(=O)C(F)(F)F ZINC000044556839 384344514 /nfs/dbraw/zinc/34/45/14/384344514.db2.gz AEHNOHRLCOFBIK-LURJTMIESA-N 1 0 246.254 0.649 10 0 BCAERO CC[C@H](C)[C@@H](C)NC(=O)[C@H]1C[NH2+]CCOC1 ZINC000643652709 384344545 /nfs/dbraw/zinc/34/45/45/384344545.db2.gz QWRQEHFTHHOGRU-AXFHLTTASA-N 1 0 228.336 0.773 10 0 BCAERO O=C(CNC[C@@H]1CCCC[NH2+]1)c1cnccn1 ZINC000095072775 384344724 /nfs/dbraw/zinc/34/47/24/384344724.db2.gz AQCDPSDQEHPFRN-JTQLQIEISA-N 1 0 234.303 0.391 10 0 BCAERO O=S(=O)(Cc1cccnc1)[C@H]1CCC[NH2+]C1 ZINC000095073099 384344820 /nfs/dbraw/zinc/34/48/20/384344820.db2.gz DRSUUSHGSHVHIP-NSHDSACASA-N 1 0 240.328 0.748 10 0 BCAERO O=C(CNC[C@@H]1CCC[NH2+]C1)c1ccc[nH]1 ZINC000095072791 384345261 /nfs/dbraw/zinc/34/52/61/384345261.db2.gz ORAYMGRLXDYYLH-SNVBAGLBSA-N 1 0 221.304 0.787 10 0 BCAERO O=C(CN[C@@H]1CCC[NH2+]C1)c1nccs1 ZINC000095072739 384345532 /nfs/dbraw/zinc/34/55/32/384345532.db2.gz IXBAIQBSVUTTIO-MRVPVSSYSA-N 1 0 225.317 0.667 10 0 BCAERO O=C(COC[C@H]1CC[NH2+]C1)c1ccccn1 ZINC000095072900 384345573 /nfs/dbraw/zinc/34/55/73/384345573.db2.gz BSEPKWZQUXUYSZ-JTQLQIEISA-N 1 0 220.272 0.890 10 0 BCAERO O=C(COC[C@@H]1CCC[NH2+]C1)c1cnccn1 ZINC000095072889 384345674 /nfs/dbraw/zinc/34/56/74/384345674.db2.gz BTOCAKDWQWGGGH-SNVBAGLBSA-N 1 0 235.287 0.676 10 0 BCAERO O=C(CNC1CC[NH2+]CC1)c1cnccn1 ZINC000095072765 384345985 /nfs/dbraw/zinc/34/59/85/384345985.db2.gz KMRICLMDSYNTSU-UHFFFAOYSA-N 1 0 220.276 0.001 10 0 BCAERO O=S(=O)(Cc1cccnc1)C[C@@H]1CC[NH2+]C1 ZINC000095073251 384347111 /nfs/dbraw/zinc/34/71/11/384347111.db2.gz KMKKDZBMYHYROE-LLVKDONJSA-N 1 0 240.328 0.606 10 0 BCAERO O=S(=O)(C[C@@H]1CCC[NH2+]1)c1nccs1 ZINC000095073181 384347407 /nfs/dbraw/zinc/34/74/07/384347407.db2.gz GRJIBOJWLHYOSJ-ZETCQYMHSA-N 1 0 232.330 0.669 10 0 BCAERO O=[S@](C[C@@H]1CCC[NH2+]1)c1ccncc1 ZINC000095073537 384347459 /nfs/dbraw/zinc/34/74/59/384347459.db2.gz UMMPFWIGTKLSNT-XPTSAGLGSA-N 1 0 210.302 0.941 10 0 BCAERO O=[S@](Cc1cncs1)[C@H]1CC[NH2+]C1 ZINC000095073456 384347522 /nfs/dbraw/zinc/34/75/22/384347522.db2.gz ZAPRZBMKQRHHHJ-SDBXPKJASA-N 1 0 216.331 0.754 10 0 BCAERO O=[S@](Cc1ccncc1)C[C@H]1CC[NH2+]C1 ZINC000095073698 384349683 /nfs/dbraw/zinc/34/96/83/384349683.db2.gz WHAMVBYWPCAHBH-NHYWBVRUSA-N 1 0 224.329 0.940 10 0 BCAERO O=[S@](C[C@@H]1CC[NH2+]C1)c1cnccn1 ZINC000095073665 384350082 /nfs/dbraw/zinc/35/00/82/384350082.db2.gz IBBJDPQFXKIBKF-CLAHSXSESA-N 1 0 211.290 0.194 10 0 BCAERO C[C@H]1CN(S(=O)(=O)CC2CCC2)C[C@H]1[NH3+] ZINC000335587080 384350933 /nfs/dbraw/zinc/35/09/33/384350933.db2.gz ROMDAAHTXZZDKY-WCBMZHEXSA-N 1 0 232.349 0.395 10 0 BCAERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)NCC1(C)COC1 ZINC000335593301 384357247 /nfs/dbraw/zinc/35/72/47/384357247.db2.gz BFRFFQNJITVBHO-VHSXEESVSA-N 1 0 226.320 0.527 10 0 BCAERO Clc1ccc(N2CCC[NH2+]CC2)nn1 ZINC000013491009 384363464 /nfs/dbraw/zinc/36/34/64/384363464.db2.gz HXMOGFDCNHKTRE-UHFFFAOYSA-N 1 0 212.684 0.930 10 0 BCAERO [NH3+]Cc1nnc2cc(Br)ccn21 ZINC000095067808 384329132 /nfs/dbraw/zinc/32/91/32/384329132.db2.gz FWGUGRMDGLZXHQ-UHFFFAOYSA-N 1 0 227.065 0.951 10 0 BCAERO Cc1ccc(S(=O)(=O)[C@H]2CCC[NH2+]C2)nn1 ZINC000095069073 384332060 /nfs/dbraw/zinc/33/20/60/384332060.db2.gz VFOMYXCLFFWLGM-VIFPVBQESA-N 1 0 241.316 0.311 10 0 BCAERO Cc1ccnc(S(=O)(=O)C[C@@H]2CCC[NH2+]2)c1 ZINC000095069175 384332254 /nfs/dbraw/zinc/33/22/54/384332254.db2.gz TWDNGTVTDJVMIJ-JTQLQIEISA-N 1 0 240.328 0.916 10 0 BCAERO Cc1cc(C)nc([S@](=O)C[C@@H]2CCC[NH2+]2)n1 ZINC000095068885 384332730 /nfs/dbraw/zinc/33/27/30/384332730.db2.gz CFQRMPHATQKNOT-QFYYESIMSA-N 1 0 239.344 0.953 10 0 BCAERO Cc1cc(C)nc([S@](=O)C2CC[NH2+]CC2)n1 ZINC000095068879 384332803 /nfs/dbraw/zinc/33/28/03/384332803.db2.gz HCGQZKKSOFJVOA-INIZCTEOSA-N 1 0 239.344 0.953 10 0 BCAERO Cc1cnc(N2CC[C@H]([NH3+])C2)nc1Cl ZINC000095069318 384334237 /nfs/dbraw/zinc/33/42/37/384334237.db2.gz DPMDQBVFWTVCDV-ZETCQYMHSA-N 1 0 212.684 0.976 10 0 BCAERO Clc1ccc(CNC[C@@H]2CCC[NH2+]2)nn1 ZINC000095069838 384334241 /nfs/dbraw/zinc/33/42/41/384334241.db2.gz VWFHJADDNXJEMY-QMMMGPOBSA-N 1 0 226.711 0.972 10 0 BCAERO CC(CO)(CO)[NH2+]Cc1cccs1 ZINC000096034360 384427520 /nfs/dbraw/zinc/42/75/20/384427520.db2.gz IGDBJUWMUDKTMW-UHFFFAOYSA-N 1 0 201.291 0.581 10 0 BCAERO [NH3+][C@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1O ZINC000095803956 384396803 /nfs/dbraw/zinc/39/68/03/384396803.db2.gz IXPLJRREJIUKLG-QWRGUYRKSA-N 1 0 236.271 0.327 10 0 BCAERO CS(=O)(=O)Nc1c[nH]nc1[C@H]1CCC[NH2+]C1 ZINC000095829467 384400991 /nfs/dbraw/zinc/40/09/91/384400991.db2.gz ABOUJHAGOLZRKB-ZETCQYMHSA-N 1 0 244.320 0.248 10 0 BCAERO C[C@H]1C[C@@H](O)C[N@H+](CCC2(O)CCC2)C1 ZINC000335626206 384403544 /nfs/dbraw/zinc/40/35/44/384403544.db2.gz QMSNLBLWJLYURZ-WDEREUQCSA-N 1 0 213.321 0.994 10 0 BCAERO Cc1c[nH]c2ncnc(N3CC[NH2+]CC3)c12 ZINC000095935731 384414730 /nfs/dbraw/zinc/41/47/30/384414730.db2.gz VIQXERBYWQTJMA-UHFFFAOYSA-N 1 0 217.276 0.628 10 0 BCAERO C[C@@H](C(=O)N1CCOC[C@H]1C)[C@H](C)[NH3+] ZINC000235481232 384415544 /nfs/dbraw/zinc/41/55/44/384415544.db2.gz MLMBXAMQHLRBBE-HLTSFMKQSA-N 1 0 200.282 0.217 10 0 BCAERO COC(C)(C)C(=O)N1C[C@H]([NH+](C)C)[C@@H](C)C1 ZINC000229729894 384418445 /nfs/dbraw/zinc/41/84/45/384418445.db2.gz IWCQBTYLARVESI-UWVGGRQHSA-N 1 0 228.336 0.820 10 0 BCAERO CC[C@](C)(O)C[N@@H+]1CC[C@@H](O)[C@@H](C)C1 ZINC000229576650 384377455 /nfs/dbraw/zinc/37/74/55/384377455.db2.gz IVQXSNAOCHJSFU-AXFHLTTASA-N 1 0 201.310 0.850 10 0 BCAERO C[C@@H]1[NH2+]CCC[C@H]1[N-]C(=O)C(F)(F)F ZINC000160646727 384425685 /nfs/dbraw/zinc/42/56/85/384425685.db2.gz JXGHTYZICWWYKJ-NTSWFWBYSA-N 1 0 210.199 0.805 10 0 BCAERO CC[C@@]1(C)CCN(C(=O)[C@@H]2C[NH2+]CCOC2)C1 ZINC000643724945 384454908 /nfs/dbraw/zinc/45/49/08/384454908.db2.gz FJVBJCGRFMNYFW-YPMHNXCESA-N 1 0 240.347 0.871 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCCO[C@H](C)C1 ZINC000082560118 384431771 /nfs/dbraw/zinc/43/17/71/384431771.db2.gz LXIOFFUOGZBCBH-GMTAPVOTSA-N 1 0 226.320 0.479 10 0 BCAERO CCC[C@H](C(=O)NCCn1ccnc1)[NH+](C)C ZINC000135883546 384468609 /nfs/dbraw/zinc/46/86/09/384468609.db2.gz LXJDSDAYZAHDOT-LLVKDONJSA-N 1 0 238.335 0.730 10 0 BCAERO CO[C@@H]1C[C@@H](CO)[N@H+](CCC[C@H]2CCOC2)C1 ZINC000400555992 384469787 /nfs/dbraw/zinc/46/97/87/384469787.db2.gz LAGGSNCPRAPICJ-RWMBFGLXSA-N 1 0 243.347 0.885 10 0 BCAERO C[C@@]1(CNC(=O)[C@H]2CCC[NH2+]C2)CCOC1 ZINC000335696505 384487131 /nfs/dbraw/zinc/48/71/31/384487131.db2.gz QNGJRTPCXRHXEX-JQWIXIFHSA-N 1 0 226.320 0.529 10 0 BCAERO CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCc2n[nH]cc2C1 ZINC000335706611 384487905 /nfs/dbraw/zinc/48/79/05/384487905.db2.gz VQTWUXXFJVXJLL-GZMMTYOYSA-N 1 0 236.319 0.668 10 0 BCAERO CCCOCC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170854765 384523683 /nfs/dbraw/zinc/52/36/83/384523683.db2.gz ULNCIVXXBBXLFI-SNVBAGLBSA-N 1 0 214.309 0.576 10 0 BCAERO [NH3+][C@H](CNC(=O)CC(F)(F)F)C1CC1 ZINC000082590823 134418038 /nfs/dbraw/zinc/41/80/38/134418038.db2.gz DAIHROFMVDQNTF-ZCFIWIBFSA-N 1 0 210.199 0.792 10 0 BCAERO C[NH2+][C@H](C)C(=O)N1CCC(C(=O)OC)CC1 ZINC000052395892 384540142 /nfs/dbraw/zinc/54/01/42/384540142.db2.gz XMPGKPWIHOYSOE-MRVPVSSYSA-N 1 0 228.292 0.006 10 0 BCAERO C[C@@H]1C[C@H]([NH2+]C[C@@H](O)CN2CCCCC2)CO1 ZINC000402200732 384571126 /nfs/dbraw/zinc/57/11/26/384571126.db2.gz GUUAFCFVKMXYLZ-FRRDWIJNSA-N 1 0 242.363 0.600 10 0 BCAERO C[NH+](C)[C@H]1CCN(C(=O)c2ccc(F)cn2)C1 ZINC000184244917 384582902 /nfs/dbraw/zinc/58/29/02/384582902.db2.gz WHTQOEPBHHPCTF-JTQLQIEISA-N 1 0 237.278 0.997 10 0 BCAERO CC[C@H]([NH2+]C[C@@H]1CNC(=O)O1)[C@@H]1CCCO1 ZINC000310037417 384589628 /nfs/dbraw/zinc/58/96/28/384589628.db2.gz VCIWSRYTDGNSBQ-UTLUCORTSA-N 1 0 228.292 0.642 10 0 BCAERO [NH3+][C@H]1CCN(CC(=O)c2cccs2)C1 ZINC000050242249 384608006 /nfs/dbraw/zinc/60/80/06/384608006.db2.gz KILMXIPDJBGVCK-QMMMGPOBSA-N 1 0 210.302 0.964 10 0 BCAERO CSCC[N@@H+]1CCN(C[C@@H](C)O)[C@H](C)C1 ZINC000171629731 384617089 /nfs/dbraw/zinc/61/70/89/384617089.db2.gz JRQPALODUMCHEY-GHMZBOCLSA-N 1 0 232.393 0.736 10 0 BCAERO O[C@@H](C[NH2+]CC1CC(O)C1)C(F)(F)F ZINC000084448998 384624998 /nfs/dbraw/zinc/62/49/98/384624998.db2.gz UCIFUZWROFMFGJ-AHXFUIDQSA-N 1 0 213.199 0.270 10 0 BCAERO C[C@H]([NH3+])C(=O)N1CC[C@]2(CC[C@@H](CO)C2)C1 ZINC000100248064 384628666 /nfs/dbraw/zinc/62/86/66/384628666.db2.gz BXHQOVKMJVASON-UMNHJUIQSA-N 1 0 226.320 0.345 10 0 BCAERO C[NH2+][C@H](C)C(=O)N1[C@@H](C)COC[C@@H]1C ZINC000517959953 384591940 /nfs/dbraw/zinc/59/19/40/384591940.db2.gz JLSBWYIYTVDBOJ-XHNCKOQMSA-N 1 0 200.282 0.230 10 0 BCAERO CN(Cc1nccc(N)n1)[C@@H]1CCC[NH2+]CC1 ZINC000098095580 384593613 /nfs/dbraw/zinc/59/36/13/384593613.db2.gz HXADBBKRIOFCAZ-SNVBAGLBSA-N 1 0 235.335 0.633 10 0 BCAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]Cc1cnn(C)c1 ZINC000309769878 384598302 /nfs/dbraw/zinc/59/83/02/384598302.db2.gz KFFYISYFIYBSNV-WPRPVWTQSA-N 1 0 222.292 0.177 10 0 BCAERO CCCCOC[C@H](O)C[NH2+]CCC1CC(O)C1 ZINC000647535280 384653072 /nfs/dbraw/zinc/65/30/72/384653072.db2.gz BHPUEVHPYPCUNV-WXRRBKDZSA-N 1 0 245.363 0.915 10 0 BCAERO Cc1cc(C(=O)N[C@H]2CC[C@H]([NH+](C)C)C2)cnn1 ZINC000337153397 384656205 /nfs/dbraw/zinc/65/62/05/384656205.db2.gz NHAKHQCACUWPSX-RYUDHWBXSA-N 1 0 248.330 0.998 10 0 BCAERO C[NH+](C)[C@H]1CCN(C(=O)c2ccccn2)C1 ZINC000082278738 384658998 /nfs/dbraw/zinc/65/89/98/384658998.db2.gz YJSZVJRRQJMCFA-JTQLQIEISA-N 1 0 219.288 0.858 10 0 BCAERO C[C@H]([NH2+]C[C@@H]1CN(C)CCO1)[C@@H]1CCCOC1 ZINC000356886022 384659870 /nfs/dbraw/zinc/65/98/70/384659870.db2.gz XIHQPFZCJLQRDN-YNEHKIRRSA-N 1 0 242.363 0.722 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)NCCCCn1ccnc1 ZINC000045109216 384661519 /nfs/dbraw/zinc/66/15/19/384661519.db2.gz PWMNPWWGDFGSNM-LLVKDONJSA-N 1 0 238.335 0.907 10 0 BCAERO CCC[C@H]([NH3+])C(=O)NCCCCn1ccnc1 ZINC000045109215 384661845 /nfs/dbraw/zinc/66/18/45/384661845.db2.gz PWMNPWWGDFGSNM-NSHDSACASA-N 1 0 238.335 0.907 10 0 BCAERO [NH3+]CCc1ncc(Br)cn1 ZINC000082425457 384681961 /nfs/dbraw/zinc/68/19/61/384681961.db2.gz RGVSKXCUOFTGLS-UHFFFAOYSA-N 1 0 202.055 0.740 10 0 BCAERO Cc1c[nH]nc1CN1CC[C@H]2OCC[NH2+][C@H]2C1 ZINC000647541165 384686172 /nfs/dbraw/zinc/68/61/72/384686172.db2.gz DJYGYDWOCZJFNB-NWDGAFQWSA-N 1 0 236.319 0.281 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)NCC1CCOCC1 ZINC000082560234 384694377 /nfs/dbraw/zinc/69/43/77/384694377.db2.gz BSHBVRFROGETKR-MWLCHTKSSA-N 1 0 226.320 0.385 10 0 BCAERO CCC[C@H]([NH3+])C(=O)NC[C@H](C)Cn1cccn1 ZINC000236872867 384718468 /nfs/dbraw/zinc/71/84/68/384718468.db2.gz FNVVQIFKIFBKNZ-QWRGUYRKSA-N 1 0 238.335 0.763 10 0 BCAERO CC[C@@H]([NH3+])C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000084200470 384774137 /nfs/dbraw/zinc/77/41/37/384774137.db2.gz CNKRAZMOGFPGIB-VHSXEESVSA-N 1 0 211.309 0.030 10 0 BCAERO Cc1c(C[NH2+][C@@H]2CCC(=O)N[C@@H]2C)cnn1C ZINC000282537873 384733862 /nfs/dbraw/zinc/73/38/62/384733862.db2.gz ZLUXQHAWFMZKRU-LDYMZIIASA-N 1 0 236.319 0.485 10 0 BCAERO CCOCCNC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054290940 384734903 /nfs/dbraw/zinc/73/49/03/384734903.db2.gz CGVPABMTFXIPMJ-JTQLQIEISA-N 1 0 214.309 0.529 10 0 BCAERO Cc1c(C[NH2+][C@H]2CCC(=O)N[C@H]2C)cnn1C ZINC000282537869 384734951 /nfs/dbraw/zinc/73/49/51/384734951.db2.gz ZLUXQHAWFMZKRU-KWQFWETISA-N 1 0 236.319 0.485 10 0 BCAERO C[NH2+][C@H](C)C(=O)NCc1ccc(OC)cc1 ZINC000055421291 384739264 /nfs/dbraw/zinc/73/92/64/384739264.db2.gz GTRJSUKAGYFDBL-SECBINFHSA-N 1 0 222.288 0.919 10 0 BCAERO CC1(C(=O)NC[C@@H]2CCCC[C@@H]2O)C[NH2+]C1 ZINC000335017959 384772988 /nfs/dbraw/zinc/77/29/88/384772988.db2.gz CYPQMSQYRFPHPB-UWVGGRQHSA-N 1 0 226.320 0.263 10 0 BCAERO CC[C@@H](COC)NC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000163223488 384772953 /nfs/dbraw/zinc/77/29/53/384772953.db2.gz UGUSUJUFLNANGB-WDEREUQCSA-N 1 0 243.351 0.757 10 0 BCAERO COC[C@@]1(C(=O)N2CCC[C@H]2C)CCC[NH2+]1 ZINC000643688882 384826143 /nfs/dbraw/zinc/82/61/43/384826143.db2.gz MXGKQUATOUBWGN-ZYHUDNBSSA-N 1 0 226.320 0.766 10 0 BCAERO COC[C@@H](C)[NH2+][C@H]1CCc2nccn2C1 ZINC000375876893 384827133 /nfs/dbraw/zinc/82/71/33/384827133.db2.gz REMXPJPDNBSESZ-ZJUUUORDSA-N 1 0 209.293 0.822 10 0 BCAERO C[C@H](O)CCC[N@@H+]1CC[C@@H](CCO)C1 ZINC000308587148 384827200 /nfs/dbraw/zinc/82/72/00/384827200.db2.gz SNZBHFUKXCWCGN-QWRGUYRKSA-N 1 0 201.310 0.852 10 0 BCAERO O=C(N[C@@H]1CC[C@@H]2C[C@@H]2C1)[C@@H]1C[NH2+]CCOC1 ZINC000648206092 384834172 /nfs/dbraw/zinc/83/41/72/384834172.db2.gz SMVLTGQDYZFYHT-DDHJBXDOSA-N 1 0 238.331 0.527 10 0 BCAERO CC(C)(C(=O)N1CCCCC1)N1CC[NH2+]CC1 ZINC000131199645 384791772 /nfs/dbraw/zinc/79/17/72/384791772.db2.gz IXUOGJMMBKGUDL-UHFFFAOYSA-N 1 0 239.363 0.683 10 0 BCAERO Cc1ccc([C@@H](C)[NH2+]C(CO)CO)cc1 ZINC000083691491 384793571 /nfs/dbraw/zinc/79/35/71/384793571.db2.gz PAZSJCWQGAGAJF-SNVBAGLBSA-N 1 0 209.289 0.999 10 0 BCAERO CCC1(CNC(=O)[C@@H]2C[NH2+]CCOC2)CCC1 ZINC000643689639 384839300 /nfs/dbraw/zinc/83/93/00/384839300.db2.gz MPYDVLNHSPWYSU-LLVKDONJSA-N 1 0 240.347 0.919 10 0 BCAERO CO[C@H]1C[C@@H](CO)[N@H+](Cc2cncc(C)c2)C1 ZINC000310108067 384839832 /nfs/dbraw/zinc/83/98/32/384839832.db2.gz DLHQHLJVNHEYCX-STQMWFEESA-N 1 0 236.315 0.972 10 0 BCAERO CCC[C@H](O)CNC(=O)[C@]1(COC)CCC[NH2+]1 ZINC000643691267 384848807 /nfs/dbraw/zinc/84/88/07/384848807.db2.gz XHOKOOORQDHPOP-CMPLNLGQSA-N 1 0 244.335 0.032 10 0 BCAERO CO[C@H]1C[C@@H](CO)[N@H+](CCc2ccncc2)C1 ZINC000310132743 384851519 /nfs/dbraw/zinc/85/15/19/384851519.db2.gz KZRLZNNAQKIKBX-STQMWFEESA-N 1 0 236.315 0.706 10 0 BCAERO Cc1ccc(O)c(C[NH2+]CC2CC(O)C2)n1 ZINC000085973076 384861024 /nfs/dbraw/zinc/86/10/24/384861024.db2.gz PYNGDCSMMLKSQG-UHFFFAOYSA-N 1 0 222.288 0.956 10 0 BCAERO Cc1nocc1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000402552357 384952156 /nfs/dbraw/zinc/95/21/56/384952156.db2.gz NIRZQTZVXOPOBE-ULKQDVFKSA-N 1 0 235.287 0.996 10 0 BCAERO C[NH+](C)C[C@H]1CN(Cc2ccccn2)CCO1 ZINC000105924527 384892257 /nfs/dbraw/zinc/89/22/57/384892257.db2.gz WFTPSNUNMHDMMY-ZDUSSCGKSA-N 1 0 235.331 0.844 10 0 BCAERO CC1(C)C[C@@H]1CNC(=O)[C@H]1C[NH2+]CCOC1 ZINC000643694028 384901338 /nfs/dbraw/zinc/90/13/38/384901338.db2.gz GKCISTQXHHZGGR-VHSXEESVSA-N 1 0 226.320 0.385 10 0 BCAERO Cc1nocc1C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000402525417 384908293 /nfs/dbraw/zinc/90/82/93/384908293.db2.gz HBLMGVZRCBEGSH-IQJOONFLSA-N 1 0 235.287 0.792 10 0 BCAERO C[N@@H+](C[C@H]1CCC[C@H]1O)C[C@@H]1CNC(=O)O1 ZINC000497256770 384915210 /nfs/dbraw/zinc/91/52/10/384915210.db2.gz IPZBAOBQCBIISW-KXUCPTDWSA-N 1 0 228.292 0.188 10 0 BCAERO CCC[C@H]([NH3+])C(=O)NC(C)(C)COC ZINC000156680806 384923175 /nfs/dbraw/zinc/92/31/75/384923175.db2.gz RHBUOLNALUHYQI-QMMMGPOBSA-N 1 0 202.298 0.655 10 0 BCAERO COCCCNC(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000258657927 384934596 /nfs/dbraw/zinc/93/45/96/384934596.db2.gz SJYBLHMOMBZRBJ-SNVBAGLBSA-N 1 0 229.324 0.464 10 0 BCAERO C[NH+](C)CC(=O)N[C@@H]1CCN(c2ccccc2)C1 ZINC000106920294 384940702 /nfs/dbraw/zinc/94/07/02/384940702.db2.gz BPMSDDHWDBDQSA-GFCCVEGCSA-N 1 0 247.342 0.943 10 0 BCAERO COc1cc(N2CC[C@@](C)(C[NH3+])C2)ncn1 ZINC000234906239 384970285 /nfs/dbraw/zinc/97/02/85/384970285.db2.gz CCROVMDVLFTBKZ-NSHDSACASA-N 1 0 222.292 0.660 10 0 BCAERO C[C@@H]1CC[C@@H](C(=O)N2CC[C@H]([NH+](C)C)C2)O1 ZINC000152148567 384970329 /nfs/dbraw/zinc/97/03/29/384970329.db2.gz HBQCVBFQBFJAEH-VWYCJHECSA-N 1 0 226.320 0.716 10 0 BCAERO C[C@@H]1OCC[C@@H]1Nc1cc[nH+]cc1C(N)=O ZINC000302178125 384977676 /nfs/dbraw/zinc/97/76/76/384977676.db2.gz XDZHYRIUGMUXLJ-CBAPKCEASA-N 1 0 221.260 0.770 10 0 BCAERO CCCc1nnc(SCC[NH3+])n1C ZINC000058823414 385023604 /nfs/dbraw/zinc/02/36/04/385023604.db2.gz KNKZCZLKWKJLAI-UHFFFAOYSA-N 1 0 200.311 0.818 10 0 BCAERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1ncnn1C ZINC000177364855 384981452 /nfs/dbraw/zinc/98/14/52/384981452.db2.gz CFCZRTMPTOFUBC-NSHDSACASA-N 1 0 237.351 0.731 10 0 BCAERO CC(C)[C@H](O)C[N@@H+]1CCC[C@@H](O)[C@@H]1C ZINC000307312985 384982846 /nfs/dbraw/zinc/98/28/46/384982846.db2.gz GNMCVVNMLCCACT-HBNTYKKESA-N 1 0 201.310 0.849 10 0 BCAERO COC(=O)C[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000307340113 384990568 /nfs/dbraw/zinc/99/05/68/384990568.db2.gz ITAILEFIIHBNST-LPEHRKFASA-N 1 0 213.277 0.252 10 0 BCAERO CC1(CCNC(=O)[C@H]2C[NH2+]CCOC2)CC1 ZINC000643799341 384963984 /nfs/dbraw/zinc/96/39/84/384963984.db2.gz VFVBATWPNFXFGC-JTQLQIEISA-N 1 0 226.320 0.529 10 0 BCAERO Cc1cc(C)n(CC(=O)N2CC[C@@H]([NH3+])[C@@H]2C)n1 ZINC000310424696 385059087 /nfs/dbraw/zinc/05/90/87/385059087.db2.gz ZUSDCVYCJAQXAM-WDEREUQCSA-N 1 0 236.319 0.448 10 0 BCAERO [NH3+][C@@H]1CC[C@@H]2CN(Cc3ccno3)C[C@@H]12 ZINC000309011637 385059443 /nfs/dbraw/zinc/05/94/43/385059443.db2.gz XHONWMVPTLQFTR-FBIMIBRVSA-N 1 0 207.277 0.844 10 0 BCAERO CN(C[C@H](O)C[N@@H+]1CC[C@@H](CCO)C1)C1CC1 ZINC000310449579 385070712 /nfs/dbraw/zinc/07/07/12/385070712.db2.gz RYWYIQZVFOHBOY-AAEUAGOBSA-N 1 0 242.363 0.146 10 0 BCAERO C[NH+](C)[C@@H]1CCN(S(=O)(=O)c2ccco2)C1 ZINC000188668574 385074075 /nfs/dbraw/zinc/07/40/75/385074075.db2.gz DTKOFVPAOITOTG-SECBINFHSA-N 1 0 244.316 0.604 10 0 BCAERO COc1cc(Cn2cc(C[NH3+])nn2)sn1 ZINC000401048160 385075816 /nfs/dbraw/zinc/07/58/16/385075816.db2.gz NGOFYMRXYSHTDY-UHFFFAOYSA-N 1 0 225.277 0.250 10 0 BCAERO CC[N@@H+]1CCC[C@H]1CN(C)[C@@H]1CCN(C)C1=O ZINC000177697011 385081466 /nfs/dbraw/zinc/08/14/66/385081466.db2.gz XUUPFJRCWXLHPM-NWDGAFQWSA-N 1 0 239.363 0.633 10 0 BCAERO Cc1c(C[NH2+]C[C@@H]2CCC[C@H]2O)cnn1C ZINC000086552172 385026151 /nfs/dbraw/zinc/02/61/51/385026151.db2.gz QDBZUDDCPKZBQU-CMPLNLGQSA-N 1 0 223.320 0.979 10 0 BCAERO CN(C(=O)[C@@H]1C[NH2+]CCOC1)[C@H]1CCSC1 ZINC000643767673 385035448 /nfs/dbraw/zinc/03/54/48/385035448.db2.gz MJUJHWKFOWGCPI-ZJUUUORDSA-N 1 0 244.360 0.186 10 0 BCAERO COCCC1(C(=O)N(C)C)CC[NH2+]CC1 ZINC000643767726 385035845 /nfs/dbraw/zinc/03/58/45/385035845.db2.gz VBLGTUJSVNWSDW-UHFFFAOYSA-N 1 0 214.309 0.481 10 0 BCAERO O=C1CCC([N@@H+]2CCCNC(=O)C2)CC1 ZINC000157248955 385116696 /nfs/dbraw/zinc/11/66/96/385116696.db2.gz JDVLIZXHVCZRPO-UHFFFAOYSA-N 1 0 210.277 0.320 10 0 BCAERO [NH3+][C@H]1CCC[C@H](C(=O)NCCc2ncc[nH]2)C1 ZINC000157257618 385117974 /nfs/dbraw/zinc/11/79/74/385117974.db2.gz IPJMPPZDAIRLNT-UWVGGRQHSA-N 1 0 236.319 0.586 10 0 BCAERO C[NH+](C)C[C@@H]1CN(c2cccc(F)n2)CCO1 ZINC000108951913 385118562 /nfs/dbraw/zinc/11/85/62/385118562.db2.gz XNYZAFDSCSTDAW-SNVBAGLBSA-N 1 0 239.294 0.988 10 0 BCAERO C[C@]1(C(=O)N[C@@H]2CCCC[C@H]2O)CCCC[NH2+]1 ZINC000227326946 385119956 /nfs/dbraw/zinc/11/99/56/385119956.db2.gz OSFWXVDCXIQGNC-NQBHXWOUSA-N 1 0 240.347 0.938 10 0 BCAERO [NH3+]CCN1CCC[C@@H](Nc2ccccn2)C1 ZINC000384493472 385137104 /nfs/dbraw/zinc/13/71/04/385137104.db2.gz MMJFIUAGZPUQTC-LLVKDONJSA-N 1 0 220.320 0.917 10 0 BCAERO CCCCOC(=O)CN1C[C@H](OC)C[C@H]1CO ZINC000310535572 385105761 /nfs/dbraw/zinc/10/57/61/385105761.db2.gz RCDCDGSPAXOVFR-WDEREUQCSA-N 1 0 245.319 0.411 10 0 BCAERO O=C1CC[C@H]2CN(C[C@@H]3CCC[NH2+]C3)CCN12 ZINC000227235419 385106361 /nfs/dbraw/zinc/10/63/61/385106361.db2.gz SAGZMRAWSUIKFV-NEPJUHHUSA-N 1 0 237.347 0.293 10 0 BCAERO Cc1c(C[NH2+]CCc2cn[nH]c2)cnn1C ZINC000289682469 385188131 /nfs/dbraw/zinc/18/81/31/385188131.db2.gz CKTNLVZTMLIANP-UHFFFAOYSA-N 1 0 219.292 0.784 10 0 BCAERO COc1nccc(C[NH2+]C[C@H]2CCC[C@H]2O)n1 ZINC000295684750 385145857 /nfs/dbraw/zinc/14/58/57/385145857.db2.gz LFJOJGYNDPVOCS-MWLCHTKSSA-N 1 0 237.303 0.736 10 0 BCAERO [NH3+]C[C@@H]1CCCN1C(=O)Cc1ccccc1O ZINC000157333463 385146447 /nfs/dbraw/zinc/14/64/47/385146447.db2.gz NMMNDNRQVMASFU-NSHDSACASA-N 1 0 234.299 0.884 10 0 BCAERO CN(C[C@@H]1CCOC1)C(=O)[C@H]1CCC[NH2+]C1 ZINC000119892254 385173951 /nfs/dbraw/zinc/17/39/51/385173951.db2.gz ZYUWJNKDZRWLNH-QWRGUYRKSA-N 1 0 226.320 0.481 10 0 BCAERO CC(C)(C)[C@@H](O)Cn1cc(CC[NH3+])nn1 ZINC000308801847 385175326 /nfs/dbraw/zinc/17/53/26/385175326.db2.gz MXLAHTCBKWCUQQ-VIFPVBQESA-N 1 0 212.297 0.186 10 0 BCAERO CC[C@H](C)CC(=O)NC[C@H]1C[NH2+]C[C@H]1O ZINC000647039847 385175895 /nfs/dbraw/zinc/17/58/95/385175895.db2.gz BCXWQHZEQPYXQI-IVZWLZJFSA-N 1 0 214.309 0.119 10 0 BCAERO O=C1NCCC[C@@H]1[NH2+]CC[C@H]1CCOC1 ZINC000308868877 385225354 /nfs/dbraw/zinc/22/53/54/385225354.db2.gz ICSQMAXMOVKTMP-UWVGGRQHSA-N 1 0 212.293 0.281 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)N(C)Cc1cc[nH]n1 ZINC000400057084 385235809 /nfs/dbraw/zinc/23/58/09/385235809.db2.gz ZQQJUFRIDSGRQD-SNVBAGLBSA-N 1 0 224.308 0.742 10 0 BCAERO CS(=O)(=O)[C@@H]1C[NH2+]C[C@@H]1C(F)(F)F ZINC000306810038 385243786 /nfs/dbraw/zinc/24/37/86/385243786.db2.gz AYYBWLVVSJHYRW-CRCLSJGQSA-N 1 0 217.212 0.181 10 0 BCAERO C[C@@H]1CN(C(=O)CCn2ccccc2=O)C[C@H]1[NH3+] ZINC000647084504 385245895 /nfs/dbraw/zinc/24/58/95/385245895.db2.gz BJYIKSXRPOOGOK-GHMZBOCLSA-N 1 0 249.314 0.044 10 0 BCAERO C[C@@H]1CN(C(=O)CCn2ccccc2=O)C[C@@H]1[NH3+] ZINC000647084505 385246436 /nfs/dbraw/zinc/24/64/36/385246436.db2.gz BJYIKSXRPOOGOK-MNOVXSKESA-N 1 0 249.314 0.044 10 0 BCAERO C[NH+](C)C[C@@H]1CN(Cc2ccncc2)CCO1 ZINC000130410751 385248976 /nfs/dbraw/zinc/24/89/76/385248976.db2.gz INFVHULRPQVWME-CYBMUJFWSA-N 1 0 235.331 0.844 10 0 BCAERO CO[C@@H]1C[C@H](CO)[N@H+](CCCCCO)C1 ZINC000308886065 385250164 /nfs/dbraw/zinc/25/01/64/385250164.db2.gz GEKYXDYTEQBYQO-GHMZBOCLSA-N 1 0 217.309 0.231 10 0 BCAERO C[C@H]([NH2+][C@@H](CO)c1ccccc1)C(=O)NC1CC1 ZINC000063002777 385203463 /nfs/dbraw/zinc/20/34/63/385203463.db2.gz NBZWAGZPIZULSY-GWCFXTLKSA-N 1 0 248.326 0.977 10 0 BCAERO [NH3+][C@H]1CCCN(C(=O)c2ccc(F)cn2)C1 ZINC000129940761 385204949 /nfs/dbraw/zinc/20/49/49/385204949.db2.gz ZAQGEBNMTDMFNW-VIFPVBQESA-N 1 0 223.251 0.784 10 0 BCAERO C[C@H](NC(=O)[C@H]1CCCC[NH2+]1)[C@H]1CCCO1 ZINC000157992619 385320658 /nfs/dbraw/zinc/32/06/58/385320658.db2.gz YMRLWWAYHHKLHN-HBNTYKKESA-N 1 0 226.320 0.812 10 0 BCAERO [NH3+][C@@H]1CC[C@@H](C(=O)NC[C@@H]2CCCO2)C1 ZINC000227862899 385265008 /nfs/dbraw/zinc/26/50/08/385265008.db2.gz ZULPQZCZGJYHLZ-BBBLOLIVSA-N 1 0 212.293 0.409 10 0 BCAERO C[C@@H]1C[C@H]([NH2+]C[C@H]2CN(C)CCO2)[C@@H]1C ZINC000308903737 385276427 /nfs/dbraw/zinc/27/64/27/385276427.db2.gz KUKCJAFRDCEMSE-WYUUTHIRSA-N 1 0 212.337 0.951 10 0 BCAERO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CN(C)CCO2)[C@H]1C ZINC000308903735 385277460 /nfs/dbraw/zinc/27/74/60/385277460.db2.gz KUKCJAFRDCEMSE-KXNHARMFSA-N 1 0 212.337 0.951 10 0 BCAERO CC(C)[C@H]([NH3+])C(=O)N1CCC([C@@H](C)O)CC1 ZINC000157779498 385279674 /nfs/dbraw/zinc/27/96/74/385279674.db2.gz OVWHTNNPOMXMIC-KOLCDFICSA-N 1 0 228.336 0.589 10 0 BCAERO C[C@H]([NH2+]CC(=O)N1CCC1)[C@H]1CCCO1 ZINC000308988344 385333725 /nfs/dbraw/zinc/33/37/25/385333725.db2.gz KKCIPNHGCWTFOG-VHSXEESVSA-N 1 0 212.293 0.376 10 0 BCAERO OCC1(CN[C@H]2CC[NH2+]C2)CCCCC1 ZINC000168339636 385358314 /nfs/dbraw/zinc/35/83/14/385358314.db2.gz QSSFATAOXSYGHP-NSHDSACASA-N 1 0 212.337 0.881 10 0 BCAERO C[C@]1(C(=O)N2CC[C@]3(CCOC3)C2)CCC[NH2+]1 ZINC000644054896 385406284 /nfs/dbraw/zinc/40/62/84/385406284.db2.gz JGQYCEQVEWPUPW-OLZOCXBDSA-N 1 0 238.331 0.768 10 0 BCAERO COC(=O)CCCN1CC[C@H]([NH+](C)C)C1 ZINC000062966231 385408803 /nfs/dbraw/zinc/40/88/03/385408803.db2.gz HBYHQDJPLLEFHY-JTQLQIEISA-N 1 0 214.309 0.576 10 0 BCAERO COC(=O)CCN1CC[C@H]([NH+](C)C)C1 ZINC000062966217 385410060 /nfs/dbraw/zinc/41/00/60/385410060.db2.gz WBWXCPVMNOTMLF-VIFPVBQESA-N 1 0 200.282 0.185 10 0 BCAERO CO[C@H](C[N@@H+]1CCO[C@@H](CO)C1)C1CC1 ZINC000400254447 385410992 /nfs/dbraw/zinc/41/09/92/385410992.db2.gz DWWXHEILQZVHKP-GHMZBOCLSA-N 1 0 215.293 0.105 10 0 BCAERO C[C@@H](O)CN1CC[N@H+](CC2CC2)C[C@H]1C ZINC000156161733 385439503 /nfs/dbraw/zinc/43/95/03/385439503.db2.gz QCTXGEYVXPYXMS-GHMZBOCLSA-N 1 0 212.337 0.783 10 0 BCAERO CC[C@H](COC)[NH2+][C@@H]1CCC(=O)N[C@@H]1C ZINC000309165311 385445400 /nfs/dbraw/zinc/44/54/00/385445400.db2.gz ISKRINDZAMUWIV-OPRDCNLKSA-N 1 0 214.309 0.668 10 0 BCAERO C[NH+](C)[C@H]1CCN(C(=O)c2ccon2)C1 ZINC000170865073 385451393 /nfs/dbraw/zinc/45/13/93/385451393.db2.gz VOOAORPIAVHUJS-QMMMGPOBSA-N 1 0 209.249 0.451 10 0 BCAERO C[C@H]1C[C@](NC2CC2)(C(N)=O)CC[N@@H+]1C ZINC000156468128 385452886 /nfs/dbraw/zinc/45/28/86/385452886.db2.gz SCLZUSFMPOAEMW-KWQFWETISA-N 1 0 211.309 0.077 10 0 BCAERO CCC[C@@H](C(=O)NCCc1ncc[nH]1)[NH+](C)C ZINC000179267416 385455920 /nfs/dbraw/zinc/45/59/20/385455920.db2.gz UJAQNDMIBNEVQH-JTQLQIEISA-N 1 0 238.335 0.799 10 0 BCAERO O=C(c1ccnnc1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000178974653 385431249 /nfs/dbraw/zinc/43/12/49/385431249.db2.gz PVHGILHLOZCWIK-LLVKDONJSA-N 1 0 232.287 0.397 10 0 BCAERO COCCN1CC[N@H+](C[C@@H](C)OC)C[C@@H]1C ZINC000182137710 385432430 /nfs/dbraw/zinc/43/24/30/385432430.db2.gz FTJGWELHZFTSKZ-NWDGAFQWSA-N 1 0 230.352 0.674 10 0 BCAERO CC[C@@H](O)C[NH+]1CCN(C[C@H](C)OC)CC1 ZINC000182195284 385433517 /nfs/dbraw/zinc/43/35/17/385433517.db2.gz YTSRBOXRHSRVNZ-NWDGAFQWSA-N 1 0 230.352 0.410 10 0 BCAERO OCCCC[N@@H+]1CCC[C@@H]1CCCO ZINC000052762235 385466871 /nfs/dbraw/zinc/46/68/71/385466871.db2.gz HSWAXVSVAFMQSI-LLVKDONJSA-N 1 0 201.310 0.996 10 0 BCAERO [NH3+][C@@H]1CC[C@H](CNC(=O)C(F)(F)F)C1 ZINC000257701606 385488178 /nfs/dbraw/zinc/48/81/78/385488178.db2.gz YELSGQDUMHFYHE-NTSWFWBYSA-N 1 0 210.199 0.792 10 0 BCAERO CCN(CC[NH3+])c1nccn2nc(C)cc12 ZINC000157026018 385480738 /nfs/dbraw/zinc/48/07/38/385480738.db2.gz CMBLGRMGXCQBBA-UHFFFAOYSA-N 1 0 219.292 0.823 10 0 BCAERO COc1nccc(C[NH2+]C[C@H](O)C(C)(C)C)n1 ZINC000295209545 385495978 /nfs/dbraw/zinc/49/59/78/385495978.db2.gz PYCQQVHTVKJDST-JTQLQIEISA-N 1 0 239.319 0.982 10 0 BCAERO CO[C@H]1C[C@H](CO)N(c2cc[nH+]c(C)c2)C1 ZINC000309310255 385528814 /nfs/dbraw/zinc/52/88/14/385528814.db2.gz WTDPPWRTMYDISL-NEPJUHHUSA-N 1 0 222.288 0.976 10 0 BCAERO c1cn2c(n1)CC[C@@H]([NH2+][C@@H]1CCCOC1)C2 ZINC000309317647 385529534 /nfs/dbraw/zinc/52/95/34/385529534.db2.gz DLICBXSZJQVZNX-GHMZBOCLSA-N 1 0 221.304 0.967 10 0 BCAERO O=C(c1cc[nH]c1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171930172 385534335 /nfs/dbraw/zinc/53/43/35/385534335.db2.gz ZZSLMWMMXUQPSF-LLVKDONJSA-N 1 0 219.288 0.935 10 0 BCAERO CO[C@@H](C)CCC(=O)NC[C@H]1CC[NH2+]C1 ZINC000166790539 385541986 /nfs/dbraw/zinc/54/19/86/385541986.db2.gz MDBDSPHBMUEVSW-UWVGGRQHSA-N 1 0 214.309 0.527 10 0 BCAERO CO[C@@H]1C[C@@H](CO)[N@H+](CC[C@H]2CCCO2)C1 ZINC000309315645 385526825 /nfs/dbraw/zinc/52/68/25/385526825.db2.gz YRTGOPPMHYOQGU-QJPTWQEYSA-N 1 0 229.320 0.637 10 0 BCAERO C[C@H]([NH2+][C@@H]1CCNC1=O)c1cncc(F)c1 ZINC000309365591 385551097 /nfs/dbraw/zinc/55/10/97/385551097.db2.gz BDPCFRCUCIZZOE-OIBJUYFYSA-N 1 0 223.251 0.760 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O ZINC000036809154 385571646 /nfs/dbraw/zinc/57/16/46/385571646.db2.gz JCHRCRQMNGLGDP-IUCAKERBSA-N 1 0 218.322 0.149 10 0 BCAERO C[NH2+][C@H](C)C(=O)NCc1nc(C)cs1 ZINC000054075685 385594279 /nfs/dbraw/zinc/59/42/79/385594279.db2.gz FKKQQWUEXWQFTC-SSDOTTSWSA-N 1 0 213.306 0.676 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@H]1CCO[C@H](C)C1 ZINC000235372849 259672949 /nfs/dbraw/zinc/67/29/49/259672949.db2.gz ZBDNDBOEDQSGBH-CHWFTXMASA-N 1 0 226.320 0.526 10 0 BCAERO CC[C@@H](C)[N@@H+]1CCC[C@](O)(C(N)=O)C1 ZINC000306972272 385643924 /nfs/dbraw/zinc/64/39/24/385643924.db2.gz UFDMOPXBZXTENN-PSASIEDQSA-N 1 0 200.282 0.097 10 0 BCAERO CC[C@H]([NH2+][C@@H](C)CC(N)=O)[C@H](O)C(F)(F)F ZINC000336734223 385657694 /nfs/dbraw/zinc/65/76/94/385657694.db2.gz KPYNTOZRWRXQGR-HAFWLYHUSA-N 1 0 242.241 0.542 10 0 BCAERO CC[C@H]([NH2+][C@H](C)CC(N)=O)[C@H](O)C(F)(F)F ZINC000336734221 385658624 /nfs/dbraw/zinc/65/86/24/385658624.db2.gz KPYNTOZRWRXQGR-CHKWXVPMSA-N 1 0 242.241 0.542 10 0 BCAERO C[C@H]([NH3+])CC(=O)N[C@@H]1C[C@H](C)O[C@@H]1C ZINC000307318424 385673378 /nfs/dbraw/zinc/67/33/78/385673378.db2.gz MAMONFZMQOXNMR-RBXMUDONSA-N 1 0 200.282 0.406 10 0 BCAERO C[C@H]([NH3+])CC(=O)N[C@@H]1C[C@H](C)O[C@H]1C ZINC000307318428 385674271 /nfs/dbraw/zinc/67/42/71/385674271.db2.gz MAMONFZMQOXNMR-XSPKLOCKSA-N 1 0 200.282 0.406 10 0 BCAERO CO[C@@H]1C[C@@H](CO)[N@H+](Cc2cccnc2C)C1 ZINC000343947834 385738260 /nfs/dbraw/zinc/73/82/60/385738260.db2.gz FCXWYFOWLRSHCK-QWHCGFSZSA-N 1 0 236.315 0.972 10 0 BCAERO CCO[C@@H]1COCC[C@H]1[NH2+]C[C@@](C)(O)CC ZINC000309618097 385749214 /nfs/dbraw/zinc/74/92/14/385749214.db2.gz DJLCFYUQEVMYMW-UTUOFQBUSA-N 1 0 231.336 0.931 10 0 BCAERO CSC[C@H](O)C[NH2+][C@H]1CCC(=O)NC1(C)C ZINC000309627367 385757151 /nfs/dbraw/zinc/75/71/51/385757151.db2.gz GBZXJKCZMCXHQG-BDAKNGLRSA-N 1 0 246.376 0.357 10 0 BCAERO COC(=O)C1CCN(C(=O)[C@@H]2CC[NH2+]C2)CC1 ZINC000062112521 385761871 /nfs/dbraw/zinc/76/18/71/385761871.db2.gz NNZSZHKGSCIZQW-SNVBAGLBSA-N 1 0 240.303 0.008 10 0 BCAERO COC(=O)c1cccc2c1OC[C@H]2C[NH3+] ZINC000257351791 385766225 /nfs/dbraw/zinc/76/62/25/385766225.db2.gz HDWNQXDUBGEURH-SSDOTTSWSA-N 1 0 207.229 0.908 10 0 BCAERO O=c1[nH]cnc2c(C[NH+]3CCCC3)c[nH]c21 ZINC000064437069 385820364 /nfs/dbraw/zinc/82/03/64/385820364.db2.gz NUWMTSMNSJQIHT-UHFFFAOYSA-N 1 0 218.260 0.847 10 0 BCAERO COC(=O)c1ccc(C(=O)C2C[NH2+]C2)cc1 ZINC000215683047 385848225 /nfs/dbraw/zinc/84/82/25/385848225.db2.gz UOIRZNJHQJQWJQ-UHFFFAOYSA-N 1 0 219.240 0.875 10 0 BCAERO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)[C@@H]2CCCO2)C1 ZINC000069725308 385854616 /nfs/dbraw/zinc/85/46/16/385854616.db2.gz HGGRBQLEAOTUHS-MXWKQRLJSA-N 1 0 226.320 0.751 10 0 BCAERO [NH3+][C@@H]1CCCN(CCO[C@@H]2CCCCO2)C1 ZINC000217979502 385894352 /nfs/dbraw/zinc/89/43/52/385894352.db2.gz BDAQYMXTRHAICD-VXGBXAGGSA-N 1 0 228.336 0.953 10 0 BCAERO CC(C)n1nnnc1CN(C)CCC[NH3+] ZINC000647847584 385899370 /nfs/dbraw/zinc/89/93/70/385899370.db2.gz WAHDJRHFLGOZHP-UHFFFAOYSA-N 1 0 212.301 0.035 10 0 BCAERO CCc1nnc(CN2CC[NH2+]CC2(C)C)n1C ZINC000647853012 385904491 /nfs/dbraw/zinc/90/44/91/385904491.db2.gz XMCWZYSZLQYNKU-UHFFFAOYSA-N 1 0 237.351 0.561 10 0 BCAERO Nc1nnc(S[C@@H]2CC[NH2+]C2)s1 ZINC000051784172 385915144 /nfs/dbraw/zinc/91/51/44/385915144.db2.gz CZTSOAUAMNBPDV-SCSAIBSYSA-N 1 0 202.308 0.574 10 0 BCAERO CC[C@](C)(O)C[N@@H+]1CCN(CCO)[C@H](C)C1 ZINC000189246249 385976914 /nfs/dbraw/zinc/97/69/14/385976914.db2.gz IXFPWAOZQCEURN-NEPJUHHUSA-N 1 0 230.352 0.146 10 0 BCAERO CCO[C@@H]1COCC[C@@H]1[NH2+]CC(C)(C)O ZINC000336748951 385989160 /nfs/dbraw/zinc/98/91/60/385989160.db2.gz DEANSCKNUNTWGI-VHSXEESVSA-N 1 0 217.309 0.541 10 0 BCAERO C[C@H]([NH3+])[C@H](C)N1C[C@@H](C)CS1(=O)=O ZINC000307135720 385931828 /nfs/dbraw/zinc/93/18/28/385931828.db2.gz ROMCMOLWZVRSLW-CSMHCCOUSA-N 1 0 206.311 0.004 10 0 BCAERO O[C@H]1COC[C@H]1[NH2+]C1CCC2(CC1)OCCO2 ZINC000307132575 385937712 /nfs/dbraw/zinc/93/77/12/385937712.db2.gz GZUNKNAAKLGRHS-MNOVXSKESA-N 1 0 243.303 0.021 10 0 BCAERO CC[NH2+][C@H](C)C(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000309031927 385941835 /nfs/dbraw/zinc/94/18/35/385941835.db2.gz FIZRPSHNEAFWJM-LPEHRKFASA-N 1 0 214.309 0.620 10 0 BCAERO [NH3+][C@@H]1CC[C@@H](C(=O)NC[C@H]2CCCOC2)C1 ZINC000251457741 385955653 /nfs/dbraw/zinc/95/56/53/385955653.db2.gz UJORJBVJKFCLDC-GMTAPVOTSA-N 1 0 226.320 0.657 10 0 BCAERO CC[C@H](C)[C@@]1([NH3+])CCS(=O)(=O)[C@@H]1C ZINC000575548213 385968822 /nfs/dbraw/zinc/96/88/22/385968822.db2.gz CFFXKOSKXFJXQR-YIZRAAEISA-N 1 0 205.323 0.937 10 0 BCAERO C[C@@H]1CN(C(=O)c2ccncc2)C[C@@H]1C[NH3+] ZINC000638893624 386008578 /nfs/dbraw/zinc/00/85/78/386008578.db2.gz LOQVUZUGFYOJBE-KOLCDFICSA-N 1 0 219.288 0.748 10 0 BCAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)N(C)C ZINC000113269419 386009272 /nfs/dbraw/zinc/00/92/72/386009272.db2.gz RCBWLMHDIVHIIB-WDEREUQCSA-N 1 0 225.336 0.243 10 0 BCAERO C[NH2+][C@H](C)c1cn(C[C@H](O)C(C)(C)C)nn1 ZINC000309444905 386009700 /nfs/dbraw/zinc/00/97/00/386009700.db2.gz OWYGLCLDRGWNNN-SCZZXKLOSA-N 1 0 226.324 0.966 10 0 BCAERO C[C@@H]1C[C@H]1C[NH2+][C@H]1CCc2ncnn2C1 ZINC000336751530 386010215 /nfs/dbraw/zinc/01/02/15/386010215.db2.gz GLBNABOLPUSOLD-UTLUCORTSA-N 1 0 206.293 0.839 10 0 BCAERO C[NH2+][C@@H](C)c1cn(C[C@@H](O)C(C)(C)C)nn1 ZINC000309444906 386010304 /nfs/dbraw/zinc/01/03/04/386010304.db2.gz OWYGLCLDRGWNNN-WCBMZHEXSA-N 1 0 226.324 0.966 10 0 BCAERO Cn1ncnc1C(=O)C1CCC([NH3+])CC1 ZINC000307169231 386024728 /nfs/dbraw/zinc/02/47/28/386024728.db2.gz XMGVPUOKZCFNKQ-UHFFFAOYSA-N 1 0 208.265 0.515 10 0 BCAERO CCc1cc(N(C)CCOCC[NH3+])nc(C)n1 ZINC000310071651 386078195 /nfs/dbraw/zinc/07/81/95/386078195.db2.gz WXLKREIXPQQOHZ-UHFFFAOYSA-N 1 0 238.335 0.759 10 0 BCAERO CCn1ccnc1Cn1cc([C@@H](C)[NH2+]C)nn1 ZINC000310093928 386096490 /nfs/dbraw/zinc/09/64/90/386096490.db2.gz KPBVFJGETWYEFM-SECBINFHSA-N 1 0 234.307 0.823 10 0 BCAERO COC(=O)c1ccc(CN2CCC[C@H]2C[NH3+])nc1 ZINC000131842897 386224316 /nfs/dbraw/zinc/22/43/16/386224316.db2.gz ZJESFXDSTJPRCB-LBPRGKRZSA-N 1 0 249.314 0.791 10 0 BCAERO [NH3+]C[C@@H]1CCCN1Cc1cn2cccnc2n1 ZINC000131846446 386225089 /nfs/dbraw/zinc/22/50/89/386225089.db2.gz UNBQJKARDKKIKT-NSHDSACASA-N 1 0 231.303 0.652 10 0 BCAERO CCC[C@H]1C[C@@H]1NC(=O)C[NH2+]CCOC ZINC000226379693 386236760 /nfs/dbraw/zinc/23/67/60/386236760.db2.gz JKDMPRFABFGIII-UWVGGRQHSA-N 1 0 214.309 0.527 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N[C@@H]1CCSC1 ZINC000225491192 386198219 /nfs/dbraw/zinc/19/82/19/386198219.db2.gz LTKPNJAXLXMPAN-SFYZADRCSA-N 1 0 202.323 0.736 10 0 BCAERO [NH3+]C[C@H]1CCCN1Cc1nc(C2CC2)no1 ZINC000133249741 386286888 /nfs/dbraw/zinc/28/68/88/386286888.db2.gz SFQJOGGCSXRJJE-SECBINFHSA-N 1 0 222.292 0.870 10 0 BCAERO Cc1ccnc(CN[C@@H]2CCC(=O)N[C@@H]2C)n1 ZINC000440963364 386299045 /nfs/dbraw/zinc/29/90/45/386299045.db2.gz UDYQRPQSAKHPQZ-NXEZZACHSA-N 1 0 234.303 0.542 10 0 BCAERO CC(C)C(=O)NCCNC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000091546841 386300359 /nfs/dbraw/zinc/30/03/59/386300359.db2.gz UZBYWYCXYAFDJE-VHSXEESVSA-N 1 0 241.335 0.002 10 0 BCAERO O[C@@H]1CC[C@H]2C[N@H+](CC3(O)CCC3)C[C@H]2C1 ZINC000425522911 386324935 /nfs/dbraw/zinc/32/49/35/386324935.db2.gz BYGXNTDVRHUYSE-QJPTWQEYSA-N 1 0 225.332 0.994 10 0 BCAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)NC[C@@H]1CCCO1 ZINC000416440492 386317962 /nfs/dbraw/zinc/31/79/62/386317962.db2.gz SORSHASHRVFXIS-UTLUCORTSA-N 1 0 227.308 0.297 10 0 BCAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)NC[C@H]1CCCO1 ZINC000416440483 386318698 /nfs/dbraw/zinc/31/86/98/386318698.db2.gz SORSHASHRVFXIS-BBBLOLIVSA-N 1 0 227.308 0.297 10 0 BCAERO COC[C@H]1C[N@H+](CC2(O)CCC2)CCO1 ZINC000336654120 386272392 /nfs/dbraw/zinc/27/23/92/386272392.db2.gz ZJFRFRXHYDXESU-SNVBAGLBSA-N 1 0 215.293 0.249 10 0 BCAERO Cc1nnc(N[C@H](CC[NH3+])C(F)F)nc1C ZINC000394812587 386441086 /nfs/dbraw/zinc/44/10/86/386441086.db2.gz PGMFIUSBVMYSLK-SSDOTTSWSA-N 1 0 231.250 0.883 10 0 BCAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]Cc1nccn1C ZINC000336777175 386408648 /nfs/dbraw/zinc/40/86/48/386408648.db2.gz HPLOTCFMSPBVFP-DTWKUNHWSA-N 1 0 222.292 0.177 10 0 BCAERO Cn1cc(CN2C[C@H](F)C[C@H]2C[NH3+])cn1 ZINC000384331928 386417110 /nfs/dbraw/zinc/41/71/10/386417110.db2.gz UTCSLRWTGRCPOO-ZJUUUORDSA-N 1 0 212.272 0.291 10 0 BCAERO c1cn2c(ccnc2N2CC[NH2+]CC2)n1 ZINC000238008153 386429758 /nfs/dbraw/zinc/42/97/58/386429758.db2.gz ALWGFOAIDOLTPT-UHFFFAOYSA-N 1 0 203.249 0.139 10 0 BCAERO CCOC(=O)CC[N@@H+]1C[C@H](O)CC[C@@H]1C ZINC000399164966 386431464 /nfs/dbraw/zinc/43/14/64/386431464.db2.gz AXJBQOTYFREACT-VHSXEESVSA-N 1 0 215.293 0.785 10 0 BCAERO CCO[C@@H]1C[C@H]1C(=O)N[C@H](C[NH3+])CC(C)C ZINC000262608649 386466989 /nfs/dbraw/zinc/46/69/89/386466989.db2.gz VMBNKAAONLMUHV-HBNTYKKESA-N 1 0 228.336 0.901 10 0 BCAERO CC(=O)c1cc(C(=O)N2CC[C@@H]([NH3+])[C@H]2C)n(C)c1 ZINC000335432852 386489882 /nfs/dbraw/zinc/48/98/82/386489882.db2.gz DBBKDTGZLCYBTO-LDYMZIIASA-N 1 0 249.314 0.789 10 0 BCAERO C[C@]1(C(=O)N2CCn3ccnc3C2)CCC[NH2+]C1 ZINC000062861534 386529731 /nfs/dbraw/zinc/52/97/31/386529731.db2.gz GNOJGENWNCTYLX-ZDUSSCGKSA-N 1 0 248.330 0.615 10 0 BCAERO CC(C)(C)[C@H]([NH3+])C(=O)N1CCn2ccnc2C1 ZINC000062254566 386507919 /nfs/dbraw/zinc/50/79/19/386507919.db2.gz WECDTAHGJNLZOH-SNVBAGLBSA-N 1 0 236.319 0.599 10 0 BCAERO Nc1cccc(C[N@@H+]2C[C@@H](O)C[C@@H]2CO)c1 ZINC000647971720 386510835 /nfs/dbraw/zinc/51/08/35/386510835.db2.gz URUJBYNWKZXKLR-NEPJUHHUSA-N 1 0 222.288 0.196 10 0 BCAERO CCc1nnc(CN2CC[C@@H]([C@H](C)[NH3+])C2)n1C ZINC000519651863 386520292 /nfs/dbraw/zinc/52/02/92/386520292.db2.gz GWRNEADEMPYODS-VHSXEESVSA-N 1 0 237.351 0.547 10 0 BCAERO COC(=O)[C@H]1CCO[C@H]1C1CC[NH2+]CC1 ZINC000238856360 386536320 /nfs/dbraw/zinc/53/63/20/386536320.db2.gz VTUVNQWOJMZUOZ-UWVGGRQHSA-N 1 0 213.277 0.564 10 0 BCAERO Cn1ccnc1CN1C[C@H](F)C[C@@H]1C[NH3+] ZINC000238855479 386537294 /nfs/dbraw/zinc/53/72/94/386537294.db2.gz SADIJZYBXRUBQD-RKDXNWHRSA-N 1 0 212.272 0.291 10 0 BCAERO C[C@H]1CC(C[NH2+]CCC(N)=O)C[C@H](C)O1 ZINC000519699561 386537634 /nfs/dbraw/zinc/53/76/34/386537634.db2.gz KJWIPLBIQDOKOV-IUCAKERBSA-N 1 0 214.309 0.655 10 0 BCAERO CN(C[C@@H]1CCCO1)C(=O)[C@H]1CC[NH2+]C1 ZINC000062116420 386569104 /nfs/dbraw/zinc/56/91/04/386569104.db2.gz FPKCHYZIMQXULW-UWVGGRQHSA-N 1 0 212.293 0.233 10 0 BCAERO Cn1cc(CNC(=O)[C@]2(C)CCCC[NH2+]2)cn1 ZINC000136180864 386570085 /nfs/dbraw/zinc/57/00/85/386570085.db2.gz AMSWVZXCEPQOJO-LBPRGKRZSA-N 1 0 236.319 0.569 10 0 BCAERO C[C@@H]([NH3+])C(=O)NC1(CO)CCCCC1 ZINC000053127131 386654780 /nfs/dbraw/zinc/65/47/80/386654780.db2.gz WPKQEXMYTAACBZ-MRVPVSSYSA-N 1 0 200.282 0.145 10 0 BCAERO CC(C)[C@H](O)C[N@H+](C)C[C@@H]1CN(C)CCO1 ZINC000644993613 386659920 /nfs/dbraw/zinc/65/99/20/386659920.db2.gz DHUCBKIJBFJCAT-NWDGAFQWSA-N 1 0 230.352 0.266 10 0 BCAERO COC(=O)[C@H](NC(=O)[C@H]1CCC[NH2+]C1)C(C)C ZINC000040437929 386661797 /nfs/dbraw/zinc/66/17/97/386661797.db2.gz TZOFNDQCHULXRV-VHSXEESVSA-N 1 0 242.319 0.300 10 0 BCAERO Nc1cc[nH+]cc1C(=O)N[C@@H]1CCC[C@H](O)C1 ZINC000647979575 386664149 /nfs/dbraw/zinc/66/41/49/386664149.db2.gz ZSKHSOCUNWUJOE-BDAKNGLRSA-N 1 0 235.287 0.527 10 0 BCAERO [NH3+][C@H]1C[C@@H](C(=O)NC[C@H]2CCCC[C@@H]2O)C1 ZINC000648087732 386676780 /nfs/dbraw/zinc/67/67/80/386676780.db2.gz CCCWCBDDTIXUTB-ZNSHCXBVSA-N 1 0 226.320 0.391 10 0 BCAERO CCCc1noc(CN2C[C@@H](C)[C@@H]([NH3+])C2)n1 ZINC000233395667 386709129 /nfs/dbraw/zinc/70/91/29/386709129.db2.gz RFTLQJZRWHDLDZ-BDAKNGLRSA-N 1 0 224.308 0.801 10 0 BCAERO CC[C@H](O)C[N@@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000247028605 386695315 /nfs/dbraw/zinc/69/53/15/386695315.db2.gz NHXOZBQCOXOPFP-PWSUYJOCSA-N 1 0 223.320 0.980 10 0 BCAERO C[C@H](O)C[N@@H+]1CCN(Cc2ccccn2)C[C@@H]1C ZINC000247397086 386712121 /nfs/dbraw/zinc/71/21/21/386712121.db2.gz XWQACLRIEHAWRS-STQMWFEESA-N 1 0 249.358 0.969 10 0 BCAERO CC[C@]1(C(=O)N2CCn3ccnc3C2)CCC[NH2+]1 ZINC000122100209 386735970 /nfs/dbraw/zinc/73/59/70/386735970.db2.gz AOGWMLPPQCYDMK-CYBMUJFWSA-N 1 0 248.330 0.758 10 0 BCAERO CCC[C@H]([NH3+])C(=O)NC[C@@H](C)C[C@@H](C)O ZINC000161632196 386736412 /nfs/dbraw/zinc/73/64/12/386736412.db2.gz OTKDVRYOTJLKJD-AEJSXWLSSA-N 1 0 216.325 0.637 10 0 BCAERO CC[C@H](O)C[NH+]1CCN(Cc2cocn2)CC1 ZINC000191942042 386725233 /nfs/dbraw/zinc/72/52/33/386725233.db2.gz ZUESZHRRJJKSOX-LBPRGKRZSA-N 1 0 239.319 0.563 10 0 BCAERO COC[C@@H](C)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000152688057 134513420 /nfs/dbraw/zinc/51/34/20/134513420.db2.gz FHLXFDDILMLGNG-MNOVXSKESA-N 1 0 228.336 0.775 10 0 BCAERO OCC1(CN[C@@H]2CC[NH2+]C2)CCCCC1 ZINC000168339560 386757875 /nfs/dbraw/zinc/75/78/75/386757875.db2.gz QSSFATAOXSYGHP-LLVKDONJSA-N 1 0 212.337 0.881 10 0 BCAERO [NH3+]C[C@@H]1CCCN1S(=O)(=O)c1ccccc1 ZINC000020182648 386790417 /nfs/dbraw/zinc/79/04/17/386790417.db2.gz WMXDFUWMKPQDHZ-JTQLQIEISA-N 1 0 240.328 0.798 10 0 BCAERO CSCCC[NH2+][C@H]1CCC(=O)N[C@@H]1C ZINC000336667290 386781937 /nfs/dbraw/zinc/78/19/37/386781937.db2.gz WDPPWWIDQICTFL-BDAKNGLRSA-N 1 0 216.350 0.996 10 0 BCAERO C[C@@H]1OCC[C@@H]1NC(=O)N1CC[C@@H]([NH3+])[C@@H]1C ZINC000417958868 386823370 /nfs/dbraw/zinc/82/33/70/386823370.db2.gz VMUDEXKHMUIDHB-QEYWKRMJSA-N 1 0 227.308 0.295 10 0 BCAERO C[C@@H]1[NH2+]CCC[C@H]1NS(=O)(=O)C1CC1 ZINC000085727610 134517656 /nfs/dbraw/zinc/51/76/56/134517656.db2.gz CFWGOVVLKHWJPI-IONNQARKSA-N 1 0 218.322 0.209 10 0 BCAERO COC(=O)CCNC(=O)[C@@H]1CCC[NH2+][C@H]1C ZINC000395291058 386806247 /nfs/dbraw/zinc/80/62/47/386806247.db2.gz XQXBYMQEYGEUPV-DTWKUNHWSA-N 1 0 228.292 0.054 10 0 BCAERO O[C@]1(Cn2cc(Br)cn2)CC[NH2+]C1 ZINC000575453050 386814795 /nfs/dbraw/zinc/81/47/95/386814795.db2.gz GTWOLLJTUWCFGP-MRVPVSSYSA-N 1 0 246.108 0.370 10 0 BCAERO [NH3+][C@@H]1CCO[C@@H]1[C@H](O)c1cscn1 ZINC000575454374 386838453 /nfs/dbraw/zinc/83/84/53/386838453.db2.gz PUOSJKWBOZTMAV-NJUXHZRNSA-N 1 0 200.263 0.293 10 0 BCAERO CS[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCCNC1=O ZINC000425341750 386845446 /nfs/dbraw/zinc/84/54/46/386845446.db2.gz GDIVOGNUXFBGPW-DJLDLDEBSA-N 1 0 214.334 0.749 10 0 BCAERO Cc1nnc(N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)s1 ZINC000301623760 386860686 /nfs/dbraw/zinc/86/06/86/386860686.db2.gz AAFFUIDPFDCBIQ-IUCAKERBSA-N 1 0 240.332 0.366 10 0 BCAERO Cc1c[nH]nc1CN[C@@H]1CCC[NH2+][C@H]1C ZINC000334833872 386872615 /nfs/dbraw/zinc/87/26/15/386872615.db2.gz ULTSWGWRHZPWNB-VHSXEESVSA-N 1 0 208.309 0.948 10 0 BCAERO Cc1cncc(N2CC[C@@H]([NH+](C)C)C2)n1 ZINC000302230591 386916316 /nfs/dbraw/zinc/91/63/16/386916316.db2.gz RUCLNVGMSWUUFY-SNVBAGLBSA-N 1 0 206.293 0.925 10 0 BCAERO Cc1cnn(CCNc2cc[nH+]cc2C(N)=O)c1 ZINC000302023987 386899845 /nfs/dbraw/zinc/89/98/45/386899845.db2.gz JPNMZLVKXZQBCN-UHFFFAOYSA-N 1 0 245.286 0.798 10 0 BCAERO C[NH+](C)[C@H]1CCN(c2nccc(CO)n2)C1 ZINC000341384805 386899843 /nfs/dbraw/zinc/89/98/43/386899843.db2.gz YBMDWJLJUYAVTQ-JTQLQIEISA-N 1 0 222.292 0.109 10 0 BCAERO CS[C@@H](C)C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000116787777 386975609 /nfs/dbraw/zinc/97/56/09/386975609.db2.gz XSKKNQLODBBKHW-UWVGGRQHSA-N 1 0 246.376 0.527 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N[C@@H](C)c1ncc(C)s1 ZINC000126141802 386976900 /nfs/dbraw/zinc/97/69/00/386976900.db2.gz MEDKIHUZOUUYHO-JGVFFNPUSA-N 1 0 243.332 0.602 10 0 BCAERO C[NH+](C)C[C@@H]1CN(C(=O)C(C)(C)C)CCO1 ZINC000116797645 386978360 /nfs/dbraw/zinc/97/83/60/386978360.db2.gz XRUHEDHJAPWGQH-SNVBAGLBSA-N 1 0 228.336 0.822 10 0 BCAERO COC[C@H](C)C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000116797165 386979618 /nfs/dbraw/zinc/97/96/18/386979618.db2.gz IKKLUZHICFNUOK-QWRGUYRKSA-N 1 0 244.335 0.058 10 0 BCAERO C[C@H]1C[NH2+]CCN1C(=O)N[C@H]1CCCOC1 ZINC000334909822 386984065 /nfs/dbraw/zinc/98/40/65/386984065.db2.gz DBSUABRCKLZMIR-UWVGGRQHSA-N 1 0 227.308 0.169 10 0 BCAERO COC[C@H](O)C[N@@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000398768814 386987753 /nfs/dbraw/zinc/98/77/53/386987753.db2.gz GATIMVNFRMXOFT-FIQHERPVSA-N 1 0 229.320 0.087 10 0 BCAERO O[C@H](c1cncs1)[C@H]1CSCC[NH2+]1 ZINC000575456918 387031299 /nfs/dbraw/zinc/03/12/99/387031299.db2.gz BWJIFXKFPJKYPQ-SVRRBLITSA-N 1 0 216.331 0.882 10 0 BCAERO F[C@@H]1CCN(C[C@H]2C[NH2+]CCS2)C1 ZINC000575461782 387031990 /nfs/dbraw/zinc/03/19/90/387031990.db2.gz LQCLIRHWPSKRIK-RKDXNWHRSA-N 1 0 204.314 0.735 10 0 BCAERO O[C@@H](c1ccsn1)[C@H]1C[NH2+]CCO1 ZINC000575462397 387035824 /nfs/dbraw/zinc/03/58/24/387035824.db2.gz TWLFNHWYPZUEFW-SFYZADRCSA-N 1 0 200.263 0.165 10 0 BCAERO [NH3+][C@@H]1CCC[C@H]1C(=O)NC1CSC1 ZINC000575579137 387046404 /nfs/dbraw/zinc/04/64/04/387046404.db2.gz KAPTVUTXKUQLSQ-HTQZYQBOSA-N 1 0 200.307 0.345 10 0 BCAERO C[C@@H]1C[C@@H]1[C@@H]([NH3+])[C@@H]1CCS(=O)(=O)C1 ZINC000575580543 387052263 /nfs/dbraw/zinc/05/22/63/387052263.db2.gz DECQRIQBEMBYAC-HXFLIBJXSA-N 1 0 203.307 0.404 10 0 BCAERO O=C(NC1CSC1)C1CC[NH2+]CC1 ZINC000575580443 387056822 /nfs/dbraw/zinc/05/68/22/387056822.db2.gz UFEIIGJHAMOYJE-UHFFFAOYSA-N 1 0 200.307 0.218 10 0 BCAERO NC(=O)c1ccc(N2CC[NH2+]CC2)nc1Cl ZINC000575434107 387057815 /nfs/dbraw/zinc/05/78/15/387057815.db2.gz FXQFEOPXAAPZRY-UHFFFAOYSA-N 1 0 240.694 0.244 10 0 BCAERO CC1(C)C[C@H]([S@](=O)C2C[NH2+]C2)CO1 ZINC000575576408 387021285 /nfs/dbraw/zinc/02/12/85/387021285.db2.gz SQBNCASTWIMRTF-CPFSXVBKSA-N 1 0 203.307 0.274 10 0 BCAERO [NH3+][C@H]1COCC[C@@H]1NC(=O)NCc1ccccc1 ZINC000575458356 387026033 /nfs/dbraw/zinc/02/60/33/387026033.db2.gz GOONFMAZRCVWNI-RYUDHWBXSA-N 1 0 249.314 0.602 10 0 BCAERO O[C@@H](c1ccsn1)[C@H]1C[NH2+]CCS1 ZINC000575454687 387026078 /nfs/dbraw/zinc/02/60/78/387026078.db2.gz YUXMQDHBUOROED-SFYZADRCSA-N 1 0 216.331 0.882 10 0 BCAERO Cn1nc(Br)cc1[C@H](O)C1C[NH2+]C1 ZINC000575455980 387027600 /nfs/dbraw/zinc/02/76/00/387027600.db2.gz BEKSLONZTXBRMK-MRVPVSSYSA-N 1 0 246.108 0.435 10 0 BCAERO O[C@@]1(c2cn(Cc3ccccc3)nn2)CC[NH2+]C1 ZINC000575467637 387076505 /nfs/dbraw/zinc/07/65/05/387076505.db2.gz GVYFWWPEIOIFOM-ZDUSSCGKSA-N 1 0 244.298 0.507 10 0 BCAERO COC(C)(C)CNC(=O)C1(C[NH3+])CCOCC1 ZINC000160150409 387076471 /nfs/dbraw/zinc/07/64/71/387076471.db2.gz PBCRDVKLNTXAEU-UHFFFAOYSA-N 1 0 244.335 0.283 10 0 BCAERO CCO[C@@H]1C[C@H]([NH2+]CCCO)C12CCOCC2 ZINC000186199770 387077053 /nfs/dbraw/zinc/07/70/53/387077053.db2.gz YMERISKSGMUYOO-NWDGAFQWSA-N 1 0 243.347 0.933 10 0 BCAERO C[C@@H]1C[C@H]([NH2+][C@H]2CCc3ncnn3C2)CCN1C ZINC000246376044 387080541 /nfs/dbraw/zinc/08/05/41/387080541.db2.gz JRCBSDAJKHSHOV-UTUOFQBUSA-N 1 0 249.362 0.665 10 0 BCAERO [NH3+][C@@H]1COC[C@H]1[C@H](O)c1ccsn1 ZINC000575469450 387091310 /nfs/dbraw/zinc/09/13/10/387091310.db2.gz LRKQBGFEZKUUKF-JKMUOGBPSA-N 1 0 200.263 0.150 10 0 BCAERO [NH3+][C@@]1(c2cccs2)CCS(=O)(=O)C1 ZINC000575472440 387103453 /nfs/dbraw/zinc/10/34/53/387103453.db2.gz QUXSGCVNOZKPNM-QMMMGPOBSA-N 1 0 217.315 0.721 10 0 BCAERO COc1cc([C@@H]2C[C@H]([NH3+])CO2)sn1 ZINC000575472449 387104324 /nfs/dbraw/zinc/10/43/24/387104324.db2.gz RIYUTDPFFBHBQM-WDSKDSINSA-N 1 0 200.263 0.940 10 0 BCAERO COC[C@H]([NH3+])C(=O)N1CCCC[C@@H](C)C1 ZINC000335027776 387120398 /nfs/dbraw/zinc/12/03/98/387120398.db2.gz JRKLZTRVBWPSKY-ZJUUUORDSA-N 1 0 214.309 0.609 10 0 BCAERO [NH3+][C@H]1CCC[C@@H](C(=O)NCc2cc[nH]n2)C1 ZINC000070502920 387120948 /nfs/dbraw/zinc/12/09/48/387120948.db2.gz PODYEXMJDCNFBD-BDAKNGLRSA-N 1 0 222.292 0.543 10 0 BCAERO CC[C@@](C)(O)C[N@@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000229395809 387167754 /nfs/dbraw/zinc/16/77/54/387167754.db2.gz CBQBGUPUSMFNIU-CMPLNLGQSA-N 1 0 226.320 0.454 10 0 BCAERO CC[C@H](C)n1[nH]c(=O)c2c1C[NH2+]C[C@H]2N ZINC000536955918 387169050 /nfs/dbraw/zinc/16/90/50/387169050.db2.gz VOAMCACZTVDZIA-NKWVEPMBSA-N 1 0 210.281 0.663 10 0 BCAERO C[C@H]1CN(C(N)=S)CC[C@H]1[NH+](C)C ZINC000575479171 387176058 /nfs/dbraw/zinc/17/60/58/387176058.db2.gz FQCOWMBAQCJUQW-JGVFFNPUSA-N 1 0 201.339 0.502 10 0 BCAERO C[C@@H]1CN(C(N)=S)CC[C@H]1[NH+](C)C ZINC000575479168 387176888 /nfs/dbraw/zinc/17/68/88/387176888.db2.gz FQCOWMBAQCJUQW-HTQZYQBOSA-N 1 0 201.339 0.502 10 0 BCAERO CC(C)(O)C[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000062982055 387190514 /nfs/dbraw/zinc/19/05/14/387190514.db2.gz SCKPSUWGGOXWRQ-LLVKDONJSA-N 1 0 228.336 0.164 10 0 BCAERO CO[C@@H]1C[C@@H](CO)[N@H+](CCc2cnn(C)c2)C1 ZINC000284482672 387203168 /nfs/dbraw/zinc/20/31/68/387203168.db2.gz CCFZPRJMNYXLLH-NWDGAFQWSA-N 1 0 239.319 0.044 10 0 BCAERO CSC[C@H](O)CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000187883789 387219201 /nfs/dbraw/zinc/21/92/01/387219201.db2.gz ALUNYPKOGAOIEU-GHMZBOCLSA-N 1 0 230.377 0.490 10 0 BCAERO C[C@H]([NH2+]CC(=O)N1CCOCC1)[C@@H]1C[C@H]1C ZINC000321479199 387250118 /nfs/dbraw/zinc/25/01/18/387250118.db2.gz IRFRAVWALFKMAM-OUAUKWLOSA-N 1 0 226.320 0.479 10 0 BCAERO CCCOCC(=O)N1C[C@H](C)[C@H]([NH+](C)C)C1 ZINC000229729874 387194732 /nfs/dbraw/zinc/19/47/32/387194732.db2.gz PIJRLXPMHKJIHY-WDEREUQCSA-N 1 0 228.336 0.822 10 0 BCAERO O=S1(=O)CCCC[C@H]1C=C1C[NH2+]C1 ZINC000575495844 387310483 /nfs/dbraw/zinc/31/04/83/387310483.db2.gz CQEBRFHDIYRVHL-VIFPVBQESA-N 1 0 201.291 0.483 10 0 BCAERO O=S1(=O)CCCC[C@@H]1C=C1C[NH2+]C1 ZINC000575495843 387311395 /nfs/dbraw/zinc/31/13/95/387311395.db2.gz CQEBRFHDIYRVHL-SECBINFHSA-N 1 0 201.291 0.483 10 0 BCAERO CC1(C[C@@H]2CCCS2(=O)=O)C[NH2+]C1 ZINC000575495822 387311721 /nfs/dbraw/zinc/31/17/21/387311721.db2.gz CFGIJMNOGXISPU-QMMMGPOBSA-N 1 0 203.307 0.563 10 0 BCAERO [NH3+]C1CC(=C[C@H]2CCCS2(=O)=O)C1 ZINC000575496038 387317089 /nfs/dbraw/zinc/31/70/89/387317089.db2.gz IDVHIALGQKEQFZ-YGPZHTELSA-N 1 0 201.291 0.611 10 0 BCAERO C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CC(F)(F)CN2)C1 ZINC000645685077 387267601 /nfs/dbraw/zinc/26/76/01/387267601.db2.gz SNQJRGLJHWYQHG-IUCAKERBSA-N 1 0 247.289 0.194 10 0 BCAERO C[NH+](C)CCN1C(=O)c2ccc(N)cc2C1=O ZINC000019966073 387271443 /nfs/dbraw/zinc/27/14/43/387271443.db2.gz XOFHDLGDLPJVRZ-UHFFFAOYSA-N 1 0 233.271 0.426 10 0 BCAERO CC[C@H](C)NC(=O)C[NH2+][C@@H]1CCC(=O)N[C@@H]1C ZINC000392949676 387305428 /nfs/dbraw/zinc/30/54/28/387305428.db2.gz ZFISJHMMGYINTE-IVZWLZJFSA-N 1 0 241.335 0.158 10 0 BCAERO [NH3+][C@@]1([C@@H](O)c2ccns2)CCOC1 ZINC000575504054 387360073 /nfs/dbraw/zinc/36/00/73/387360073.db2.gz CDILHPVOEBMISG-YUMQZZPRSA-N 1 0 200.263 0.294 10 0 BCAERO [NH3+]C1CC(C[C@H]2CCCS2(=O)=O)C1 ZINC000575497410 387328534 /nfs/dbraw/zinc/32/85/34/387328534.db2.gz XSVVYLDZUNJHDB-AMDVSUOASA-N 1 0 203.307 0.691 10 0 BCAERO [NH3+][C@@H]1CC[C@@H]1C[C@H]1CCCS1(=O)=O ZINC000575497362 387333694 /nfs/dbraw/zinc/33/36/94/387333694.db2.gz XHLRXLCPHKGNJB-IWSPIJDZSA-N 1 0 203.307 0.691 10 0 BCAERO C[C@H]([NH3+])C(=O)N[C@@H]1CCCSCC1 ZINC000575517224 387429039 /nfs/dbraw/zinc/42/90/39/387429039.db2.gz CQKCIKRADOFDQU-JGVFFNPUSA-N 1 0 202.323 0.736 10 0 BCAERO C[C@@H]1CS[C@@](C)([C@@H]2C[NH2+]CCO2)N1 ZINC000575517895 387433892 /nfs/dbraw/zinc/43/38/92/387433892.db2.gz NXEIBGMJBPATLK-VGMNWLOBSA-N 1 0 202.323 0.416 10 0 BCAERO CC[C@@H]([NH3+])C(=O)N1CCN2CCCC[C@@H]2C1 ZINC000037812752 387443500 /nfs/dbraw/zinc/44/35/00/387443500.db2.gz GAUZJXQHBWPESP-GHMZBOCLSA-N 1 0 225.336 0.420 10 0 BCAERO C[N@H+](C[C@H](O)C(F)(F)F)[C@H]1CCC[C@H]1O ZINC000352702725 387445365 /nfs/dbraw/zinc/44/53/65/387445365.db2.gz YDELRCAKRINJCO-RNJXMRFFSA-N 1 0 227.226 0.755 10 0 BCAERO CC(C)OCCC(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000423945143 387454763 /nfs/dbraw/zinc/45/47/63/387454763.db2.gz HVTACPBFXNRLRD-NXEZZACHSA-N 1 0 214.309 0.607 10 0 BCAERO CC(C)OCCC(=O)N1C[C@H](C)[C@H]([NH3+])C1 ZINC000423945147 387455295 /nfs/dbraw/zinc/45/52/95/387455295.db2.gz HVTACPBFXNRLRD-VHSXEESVSA-N 1 0 214.309 0.607 10 0 BCAERO [NH3+][C@@]1(C/C=C/Cl)CCS(=O)(=O)C1 ZINC000575523672 387457793 /nfs/dbraw/zinc/45/77/93/387457793.db2.gz MRZANKNQHKWLRU-FTSYCPQPSA-N 1 0 209.698 0.645 10 0 BCAERO CC(C)OCCC(=O)N1CC[C@H]([NH3+])[C@H]1C ZINC000423667147 387394263 /nfs/dbraw/zinc/39/42/63/387394263.db2.gz KKIVTMDHYMTAGW-ZJUUUORDSA-N 1 0 214.309 0.750 10 0 BCAERO C[N@H+](CCN1CCCC1=O)[C@H]1CCC[C@@H]1O ZINC000352658259 387421703 /nfs/dbraw/zinc/42/17/03/387421703.db2.gz INMWCWOMUFPLKS-QWRGUYRKSA-N 1 0 226.320 0.454 10 0 BCAERO CC(=O)N[C@@H](C(=O)NCC[C@@H](C)[NH3+])C(C)C ZINC000516288038 387495840 /nfs/dbraw/zinc/49/58/40/387495840.db2.gz SFOJFHBYNHRDNF-PSASIEDQSA-N 1 0 229.324 0.001 10 0 BCAERO Cc1cc(CNC(=O)[C@H]2CCC[C@H]2C[NH3+])[nH]n1 ZINC000648079673 387507660 /nfs/dbraw/zinc/50/76/60/387507660.db2.gz JQTKTSHPMBPVLM-ONGXEEELSA-N 1 0 236.319 0.709 10 0 BCAERO Cc1cc(CNC(=O)[C@H]2CC[C@H]([NH3+])C2)[nH]n1 ZINC000648079856 387509739 /nfs/dbraw/zinc/50/97/39/387509739.db2.gz YPBPCJWAWFLWIK-IUCAKERBSA-N 1 0 222.292 0.462 10 0 BCAERO CCOCCN1CCO[C@H](C[NH+](C)C)C1 ZINC000105926384 387527138 /nfs/dbraw/zinc/52/71/38/387527138.db2.gz IXNVEBLKURUCHO-LLVKDONJSA-N 1 0 216.325 0.285 10 0 BCAERO CSC[C@H](C)C(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000424043204 387468590 /nfs/dbraw/zinc/46/85/90/387468590.db2.gz FNYYDJGWTXOXQO-LPEHRKFASA-N 1 0 244.360 0.185 10 0 BCAERO CSCCCC(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000424047358 387470742 /nfs/dbraw/zinc/47/07/42/387470742.db2.gz UXACFUCQSPDZML-VHSXEESVSA-N 1 0 244.360 0.329 10 0 BCAERO CC[C@H](COC)[NH2+]C[C@H](C)N1CCOCC1 ZINC000123521842 387584093 /nfs/dbraw/zinc/58/40/93/387584093.db2.gz VULDKRNKUBWCDO-NWDGAFQWSA-N 1 0 230.352 0.722 10 0 BCAERO CCC[C@H](C(=O)N[C@H](CC)CO)[NH+](C)C ZINC000123883444 387598157 /nfs/dbraw/zinc/59/81/57/387598157.db2.gz UFLTXDGCEACHQP-NXEZZACHSA-N 1 0 216.325 0.604 10 0 BCAERO C[C@H]([NH3+])C(=O)N[C@@H]1CC[C@@H](C)SC1 ZINC000575534188 387555691 /nfs/dbraw/zinc/55/56/91/387555691.db2.gz IBWLKMKHUSBMJI-GJMOJQLCSA-N 1 0 202.323 0.734 10 0 BCAERO CC(C)COCC[N@@H+]1C[C@@H](O)C[C@@H]1CO ZINC000375594990 387557071 /nfs/dbraw/zinc/55/70/71/387557071.db2.gz CRGIJKPEQQLMMG-MNOVXSKESA-N 1 0 217.309 0.087 10 0 BCAERO CC(C)COCC[N@@H+]1C[C@H](O)C[C@@H]1CO ZINC000375594989 387557680 /nfs/dbraw/zinc/55/76/80/387557680.db2.gz CRGIJKPEQQLMMG-GHMZBOCLSA-N 1 0 217.309 0.087 10 0 BCAERO C[C@@H]1CC[C@@H](N2C[C@@H]([NH3+])C2=O)CS1 ZINC000575535091 387575185 /nfs/dbraw/zinc/57/51/85/387575185.db2.gz RIWHGSLOBKNLSG-BWZBUEFSSA-N 1 0 200.307 0.440 10 0 BCAERO CN(C)C[C@H](O)C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000305776413 387650639 /nfs/dbraw/zinc/65/06/39/387650639.db2.gz KRCXUJGAFZSWEQ-KKOKHZNYSA-N 1 0 242.363 0.312 10 0 BCAERO COC(=O)[C@@H]1CCCCN1C[C@H]1COCCO1 ZINC000430998959 387668071 /nfs/dbraw/zinc/66/80/71/387668071.db2.gz AFYVTQGAXTYPEJ-QWRGUYRKSA-N 1 0 243.303 0.429 10 0 BCAERO Cn1nnc(Br)c1[C@@H](F)C1C[NH2+]C1 ZINC000575559552 387702293 /nfs/dbraw/zinc/70/22/93/387702293.db2.gz PGMXMKNXMGMPEN-YFKPBYRVSA-N 1 0 249.087 0.808 10 0 BCAERO CC(C)[C@]1([NH3+])CCC[C@@H]1S(C)(=O)=O ZINC000575561842 387706104 /nfs/dbraw/zinc/70/61/04/387706104.db2.gz UWRAMJIQTQRHSX-DTWKUNHWSA-N 1 0 205.323 0.937 10 0 BCAERO Cc1cc(C[NH2+][C@@H]2CCC(=O)N[C@@H]2C)nn1C ZINC000440966457 387719696 /nfs/dbraw/zinc/71/96/96/387719696.db2.gz YGVNUCCQQFCBAA-MWLCHTKSSA-N 1 0 236.319 0.485 10 0 BCAERO COC[C@H](C)NC(=O)CC1CC[NH2+]CC1 ZINC000019802483 387794294 /nfs/dbraw/zinc/79/42/94/387794294.db2.gz BFVTVOBYUBBRKA-VIFPVBQESA-N 1 0 214.309 0.527 10 0 BCAERO CCc1nc(CC[NH2+]CC2(C)COC2)no1 ZINC000309462151 387802967 /nfs/dbraw/zinc/80/29/67/387802967.db2.gz OFMFFPDEKWFQRV-UHFFFAOYSA-N 1 0 225.292 0.801 10 0 BCAERO COc1c(CNC[C@H](C)[NH+](C)C)c(C)nn1C ZINC000134400834 387807211 /nfs/dbraw/zinc/80/72/11/387807211.db2.gz KXNYZRCAUKANLH-VIFPVBQESA-N 1 0 240.351 0.777 10 0 BCAERO COC[C@@H](C)[NH2+]C[C@H](O)CN1CCCCC1 ZINC000151344177 387825056 /nfs/dbraw/zinc/82/50/56/387825056.db2.gz AMXHQCXTHYOGTC-NEPJUHHUSA-N 1 0 230.352 0.458 10 0 BCAERO CNC(=O)c1ccc(NC(=O)[C@H]2CC[NH2+]C2)cc1 ZINC000062113430 387850270 /nfs/dbraw/zinc/85/02/70/387850270.db2.gz MBMBMVFDCQGYGG-JTQLQIEISA-N 1 0 247.298 0.594 10 0 BCAERO CC(=O)NCCC[N@@H+]1CCC[C@@H](NC(C)=O)C1 ZINC000194385457 387879399 /nfs/dbraw/zinc/87/93/99/387879399.db2.gz GKKNDXQHEOAATA-GFCCVEGCSA-N 1 0 241.335 0.113 10 0 BCAERO C[C@H](C(N)=O)[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000195506409 387919807 /nfs/dbraw/zinc/91/98/07/387919807.db2.gz JCSLEVXWNOJJLY-MRVPVSSYSA-N 1 0 222.292 0.463 10 0 BCAERO C[NH2+]Cc1nc2cc(F)ccc2c(=O)[nH]1 ZINC000238303560 387932800 /nfs/dbraw/zinc/93/28/00/387932800.db2.gz YFFUBCJEZYZQBU-UHFFFAOYSA-N 1 0 207.208 0.782 10 0 BCAERO C[C@H]([NH3+])CN1C[C@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000163733517 387925327 /nfs/dbraw/zinc/92/53/27/387925327.db2.gz MHYGERVDOAWTJG-SDDRHHMPSA-N 1 0 211.353 0.892 10 0 BCAERO CO[C@@H]1C[C@H](N[C@@H]2CC[NH2+]C2)C12CCC2 ZINC000423167231 387951780 /nfs/dbraw/zinc/95/17/80/387951780.db2.gz DVQSIEIAWHLGKF-OUAUKWLOSA-N 1 0 210.321 0.896 10 0 BCAERO CC[C@H](C(N)=O)N(C)C[C@H]1CCC[N@@H+]1CC ZINC000245432206 387946061 /nfs/dbraw/zinc/94/60/61/387946061.db2.gz OMDCATVHDHKBGD-GHMZBOCLSA-N 1 0 227.352 0.666 10 0 BCAERO COc1cc(OC)nc(N[C@H](C)C[NH3+])n1 ZINC000159006560 387979078 /nfs/dbraw/zinc/97/90/78/387979078.db2.gz CQRIOTCFKPCUAP-ZCFIWIBFSA-N 1 0 212.253 0.253 10 0 BCAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C[C@@H](O)COC ZINC000245955267 387996840 /nfs/dbraw/zinc/99/68/40/387996840.db2.gz CNSYELHAMINIEX-FRRDWIJNSA-N 1 0 242.363 0.552 10 0 BCAERO C[C@@H]1CC[C@@H](C(=O)N2CC[C@@H]([NH+](C)C)C2)O1 ZINC000245982413 387999654 /nfs/dbraw/zinc/99/96/54/387999654.db2.gz HBQCVBFQBFJAEH-MXWKQRLJSA-N 1 0 226.320 0.716 10 0 BCAERO C[C@@H]1CC[C@@H](C(=O)NC[C@H]2CCC[N@@H+]2C)O1 ZINC000246023764 388002487 /nfs/dbraw/zinc/00/24/87/388002487.db2.gz MRZISDGTFCVVQP-MXWKQRLJSA-N 1 0 226.320 0.764 10 0 BCAERO Cc1cc(CNC(=O)[C@@H]2C[NH2+]C[C@H]2C)on1 ZINC000082559954 388036882 /nfs/dbraw/zinc/03/68/82/388036882.db2.gz FGOYKIQQXXFPMN-GMSGAONNSA-N 1 0 223.276 0.455 10 0 BCAERO CN(C)c1nccc(N2CCC[C@H]2C[NH3+])n1 ZINC000082924449 388042641 /nfs/dbraw/zinc/04/26/41/388042641.db2.gz VAXWTOYGBVBUEW-VIFPVBQESA-N 1 0 221.308 0.470 10 0 BCAERO C[C@H]([NH2+]C[C@@H]1CN(C)CCO1)[C@@H]1CCCO1 ZINC000086005308 388099237 /nfs/dbraw/zinc/09/92/37/388099237.db2.gz HIMJLAYQQBTKCQ-TUAOUCFPSA-N 1 0 228.336 0.474 10 0 BCAERO CN(C)c1nccc(N2C[C@H]3C[NH2+]C[C@H]3C2)n1 ZINC000086485438 388103734 /nfs/dbraw/zinc/10/37/34/388103734.db2.gz ZINATOHTVFKURR-AOOOYVTPSA-N 1 0 233.319 0.198 10 0 BCAERO CSC[C@H](C)C(=O)NC[C@@H]1CC[NH2+]C1 ZINC000261527470 135151968 /nfs/dbraw/zinc/15/19/68/135151968.db2.gz BNDZIQPLVJDQIS-DTWKUNHWSA-N 1 0 216.350 0.711 10 0 BCAERO CC1(C)C[NH2+][C@@H]1C(=O)NC[C@H]1CCCC[C@@H]1O ZINC000646150789 388157217 /nfs/dbraw/zinc/15/72/17/388157217.db2.gz VDMSWRCBFCISGR-OUAUKWLOSA-N 1 0 240.347 0.652 10 0 BCAERO COC[C@H]1CCCN1C(=O)C[C@H]([NH3+])C(C)C ZINC000646156941 388157892 /nfs/dbraw/zinc/15/78/92/388157892.db2.gz BJWVWUHEGJZVPJ-MNOVXSKESA-N 1 0 228.336 0.997 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N1[C@@H](C)COC[C@@H]1C ZINC000449291685 388168403 /nfs/dbraw/zinc/16/84/03/388168403.db2.gz NJZJKBNMDTXQBI-VPOLOUISSA-N 1 0 226.320 0.478 10 0 BCAERO CC(C)(C)[C@@H](O)CNC(=O)[C@H]1[NH2+]CC1(C)C ZINC000646239804 388169403 /nfs/dbraw/zinc/16/94/03/388169403.db2.gz WIPUGJBXVQANGH-DTWKUNHWSA-N 1 0 228.336 0.508 10 0 BCAERO CC(C)(C)[C@H](O)CNC(=O)[C@H]1[NH2+]CC1(C)C ZINC000646239806 388169626 /nfs/dbraw/zinc/16/96/26/388169626.db2.gz WIPUGJBXVQANGH-RKDXNWHRSA-N 1 0 228.336 0.508 10 0 BCAERO Cn1ncnc1C[NH2+]C[C@H](O)C(C)(C)C ZINC000324440266 388119452 /nfs/dbraw/zinc/11/94/52/388119452.db2.gz DGIICSXBVDPQRI-QMMMGPOBSA-N 1 0 212.297 0.312 10 0 BCAERO Cc1cnn(CCNC(=O)[C@@H]2[NH2+]CC2(C)C)c1 ZINC000646027137 388127399 /nfs/dbraw/zinc/12/73/99/388127399.db2.gz HZIWUYXXUXVHLR-JTQLQIEISA-N 1 0 236.319 0.306 10 0 BCAERO CC[C@@H]1CCN(C(=O)[C@H]([NH3+])COC)C1 ZINC000166170270 388254541 /nfs/dbraw/zinc/25/45/41/388254541.db2.gz BADSSKDWVBDQMC-RKDXNWHRSA-N 1 0 200.282 0.219 10 0 BCAERO COCC[C@H](C)[NH2+]CCc1nc(C)no1 ZINC000089517702 256526142 /nfs/dbraw/zinc/52/61/42/256526142.db2.gz VDMUPFWWIRRXKH-QMMMGPOBSA-N 1 0 213.281 0.935 10 0 BCAERO C[NH2+][C@H](C)C(=O)N1[C@H](C)COC[C@@H]1C ZINC000517959951 256556544 /nfs/dbraw/zinc/55/65/44/256556544.db2.gz JLSBWYIYTVDBOJ-HRDYMLBCSA-N 1 0 200.282 0.230 10 0 BCAERO Cc1cnc(C(=O)N2C[C@H]3C[NH2+]C[C@@H]3C2)cn1 ZINC000090321583 256580433 /nfs/dbraw/zinc/58/04/33/256580433.db2.gz RKGVACAMYHVVBH-NXEZZACHSA-N 1 0 232.287 0.076 10 0 BCAERO O=C(C1SCCS1)N1CC[NH2+]CC1 ZINC000261530199 135157341 /nfs/dbraw/zinc/15/73/41/135157341.db2.gz XZUTZKVJULFGMK-UHFFFAOYSA-N 1 0 218.347 0.224 10 0 BCAERO CCc1nnc(CN(C)[C@H](C[NH3+])C2CC2)n1C ZINC000518770875 256600687 /nfs/dbraw/zinc/60/06/87/256600687.db2.gz BCEZPEQAVNCQQD-SNVBAGLBSA-N 1 0 237.351 0.547 10 0 BCAERO CC1(C)C[NH2+][C@@H]1C(=O)N[C@H]1CCC[C@H](O)C1 ZINC000646417280 388353774 /nfs/dbraw/zinc/35/37/74/388353774.db2.gz CFANKXUMWXIHNU-LPEHRKFASA-N 1 0 226.320 0.404 10 0 BCAERO COCC[C@@H](C)NC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000234674707 388358834 /nfs/dbraw/zinc/35/88/34/388358834.db2.gz YLYDXNROPZULJB-OPRDCNLKSA-N 1 0 214.309 0.383 10 0 BCAERO Cc1c[nH+]c(NN)nc1S[C@@H](C)CO ZINC000162954217 388367051 /nfs/dbraw/zinc/36/70/51/388367051.db2.gz MBYLVLOWTYJETF-LURJTMIESA-N 1 0 214.294 0.544 10 0 BCAERO Cc1c(CN2C[C@H]([NH3+])[C@@H](C)C2)cnn1C ZINC000235680323 388374414 /nfs/dbraw/zinc/37/44/14/388374414.db2.gz NVLROEAPCACTIN-KWQFWETISA-N 1 0 208.309 0.508 10 0 BCAERO CN(C)[C@@]1(CC(=O)[O-])CC[N@@H+]2CCC[C@H]21 ZINC000228033509 388376438 /nfs/dbraw/zinc/37/64/38/388376438.db2.gz OQADDIQSSZTFMT-GXSJLCMTSA-N 1 0 212.293 0.630 10 0 BCAERO CN(C)[C@]1(CC(=O)[O-])CC[N@@H+]2CCC[C@H]21 ZINC000228033522 388376599 /nfs/dbraw/zinc/37/65/99/388376599.db2.gz OQADDIQSSZTFMT-ONGXEEELSA-N 1 0 212.293 0.630 10 0 BCAERO CCN1CCO[C@H](C[NH2+][C@@H]2CO[C@@H](C)C2)C1 ZINC000401782447 388380596 /nfs/dbraw/zinc/38/05/96/388380596.db2.gz ILIHFIYPWWCPAK-SDDRHHMPSA-N 1 0 228.336 0.474 10 0 BCAERO COC[C@@H]([NH3+])C(=O)Nc1ccc(C)nc1 ZINC000164811247 388383858 /nfs/dbraw/zinc/38/38/58/388383858.db2.gz QXOJPWLXBHICHU-SECBINFHSA-N 1 0 209.249 0.302 10 0 BCAERO CCC[C@H]([NH3+])C(=O)NC[C@H](O)[C@@H](C)CC ZINC000236875634 388385924 /nfs/dbraw/zinc/38/59/24/388385924.db2.gz VWUBNEVWKYBMMV-GUBZILKMSA-N 1 0 216.325 0.637 10 0 BCAERO CS[C@@H](C)C(=O)N1CCC[C@H]1C[NH3+] ZINC000237403312 388393623 /nfs/dbraw/zinc/39/36/23/388393623.db2.gz ROTNIKYSRZQSJV-YUMQZZPRSA-N 1 0 202.323 0.688 10 0 BCAERO CSC[C@H](C)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000237364673 388394097 /nfs/dbraw/zinc/39/40/97/388394097.db2.gz HLOANOWLBILFSD-DTWKUNHWSA-N 1 0 216.350 0.935 10 0 BCAERO CCN(CC[NH3+])Cc1c(C)nn(C)c1OC ZINC000300836724 388397772 /nfs/dbraw/zinc/39/77/72/388397772.db2.gz PWINOUBZQGPJBB-UHFFFAOYSA-N 1 0 226.324 0.518 10 0 BCAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N1CCSCC1 ZINC000335593306 388451967 /nfs/dbraw/zinc/45/19/67/388451967.db2.gz BOBJKLOHUATXOS-UWVGGRQHSA-N 1 0 228.361 0.950 10 0 BCAERO COCCC[N@H+](C)CCNC(=O)N[C@@H]1C[C@@H]1C ZINC000176346845 388452312 /nfs/dbraw/zinc/45/23/12/388452312.db2.gz KCRIMOKDFWMTCB-WDEREUQCSA-N 1 0 243.351 0.662 10 0 BCAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]Cc1cncc(F)c1 ZINC000336370609 388457387 /nfs/dbraw/zinc/45/73/87/388457387.db2.gz VCKGZLBKMDIXGV-KWQFWETISA-N 1 0 237.278 0.977 10 0 BCAERO C[C@@H]1CC[C@H]([NH3+])[C@@H](SCC(N)=O)C1 ZINC000300868188 388459710 /nfs/dbraw/zinc/45/97/10/388459710.db2.gz WRWKHUIAXCMBTF-CSMHCCOUSA-N 1 0 202.323 0.721 10 0 BCAERO CC(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CCNC1=O ZINC000336687906 388462691 /nfs/dbraw/zinc/46/26/91/388462691.db2.gz VKIIDPKMZYYAPE-VWYCJHECSA-N 1 0 226.320 0.526 10 0 BCAERO C[C@@H](NC(=O)[C@@H]1CCC[C@@H]1[NH3+])[C@@H]1CCCO1 ZINC000084856330 256765227 /nfs/dbraw/zinc/76/52/27/256765227.db2.gz VVDNHWRNEGMZOV-ZNSHCXBVSA-N 1 0 226.320 0.798 10 0 BCAERO Cc1cnn(C)c1C[NH2+][C@H]1CCCNC1=O ZINC000336710420 388466158 /nfs/dbraw/zinc/46/61/58/388466158.db2.gz RRMOAEWGVRPSFC-VIFPVBQESA-N 1 0 222.292 0.097 10 0 BCAERO C[C@@H]([NH3+])C[C@H](C)NC(=O)[C@@H]1CCCO1 ZINC000165645637 388408027 /nfs/dbraw/zinc/40/80/27/388408027.db2.gz HYRGEJHPFGOPSG-VGMNWLOBSA-N 1 0 200.282 0.407 10 0 BCAERO C[C@@H]([NH3+])C[C@H](C)Nc1ccnc(C(N)=O)c1 ZINC000165747552 388410410 /nfs/dbraw/zinc/41/04/10/388410410.db2.gz BJWMXTARWCTROB-SFYZADRCSA-N 1 0 222.292 0.718 10 0 BCAERO C[C@H]([NH3+])C[C@H](C)Nc1ccnc(C(N)=O)c1 ZINC000165747441 388410643 /nfs/dbraw/zinc/41/06/43/388410643.db2.gz BJWMXTARWCTROB-YUMQZZPRSA-N 1 0 222.292 0.718 10 0 BCAERO CO[C@H]1C[C@@H](CO)[N@H+](Cc2ncccc2C)C1 ZINC000339083083 388479368 /nfs/dbraw/zinc/47/93/68/388479368.db2.gz YKYUHNLRSVDGMN-RYUDHWBXSA-N 1 0 236.315 0.972 10 0 BCAERO CC(C)[C@@H](O)Cn1cc(C(C)(C)[NH3+])nn1 ZINC000300887228 388422291 /nfs/dbraw/zinc/42/22/91/388422291.db2.gz NVJRJHNAWGIPSD-QMMMGPOBSA-N 1 0 212.297 0.489 10 0 BCAERO CO[C@H]1C[NH2+][C@H](C(=O)NC(C)(C)C)C1 ZINC000040629377 388423393 /nfs/dbraw/zinc/42/33/93/388423393.db2.gz ZGMSCYCTVJGHPT-SFYZADRCSA-N 1 0 200.282 0.278 10 0 BCAERO CO[C@@H]1C[C@@H](CO)[N@H+](C[C@H]2CCCO2)C1 ZINC000339183690 388479809 /nfs/dbraw/zinc/47/98/09/388479809.db2.gz QZARUOSHPIIMJO-HBNTYKKESA-N 1 0 215.293 0.247 10 0 BCAERO CO[C@H]1C[C@H](CO)[N@H+](Cc2ncccc2C)C1 ZINC000339083082 388479827 /nfs/dbraw/zinc/47/98/27/388479827.db2.gz YKYUHNLRSVDGMN-NEPJUHHUSA-N 1 0 236.315 0.972 10 0 BCAERO CO[C@@H](C)CCC(=O)NCC[C@@H](C)[NH3+] ZINC000166779217 388431620 /nfs/dbraw/zinc/43/16/20/388431620.db2.gz FEAQKPGZJBVRTO-BDAKNGLRSA-N 1 0 202.298 0.655 10 0 BCAERO COC[C@]1(C(=O)Nc2cccnc2)CCC[NH2+]1 ZINC000649275583 388494498 /nfs/dbraw/zinc/49/44/98/388494498.db2.gz PQGWWWWKAZYDLM-LBPRGKRZSA-N 1 0 235.287 0.789 10 0 BCAERO Cc1cccc(NC(=O)[C@H]2C[NH2+]CCOC2)n1 ZINC000649276303 388496906 /nfs/dbraw/zinc/49/69/06/388496906.db2.gz KBVZUJWFABDGNK-JTQLQIEISA-N 1 0 235.287 0.565 10 0 BCAERO CO[C@H]1C[C@@H](CO)[N@H+](CC2CCOCC2)C1 ZINC000343955851 388503392 /nfs/dbraw/zinc/50/33/92/388503392.db2.gz NZDBDHFOPXPKRL-RYUDHWBXSA-N 1 0 229.320 0.495 10 0 BCAERO CO[C@H]1C[C@H](CO)[N@H+](Cc2ccc(C)nc2)C1 ZINC000344042400 388504799 /nfs/dbraw/zinc/50/47/99/388504799.db2.gz TWKXBSLLLRHSDY-OLZOCXBDSA-N 1 0 236.315 0.972 10 0 BCAERO CO[C@H]1C[C@@H](CO)[N@H+](Cc2ccc(C)nc2)C1 ZINC000344042402 388504878 /nfs/dbraw/zinc/50/48/78/388504878.db2.gz TWKXBSLLLRHSDY-STQMWFEESA-N 1 0 236.315 0.972 10 0 BCAERO CC(=O)NCC(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000078614635 388507227 /nfs/dbraw/zinc/50/72/27/388507227.db2.gz OXGKFPPPGNCAMT-LLVKDONJSA-N 1 0 243.351 0.215 10 0 BCAERO CO[C@H]1C[C@H](CO)[N@H+](Cc2cccc(C)n2)C1 ZINC000344680029 388508893 /nfs/dbraw/zinc/50/88/93/388508893.db2.gz QUIYOWXIHSOVND-OLZOCXBDSA-N 1 0 236.315 0.972 10 0 BCAERO CO[C@H]1C[C@@H](CO)[N@H+](Cc2cccc(C)n2)C1 ZINC000344681021 388509325 /nfs/dbraw/zinc/50/93/25/388509325.db2.gz QUIYOWXIHSOVND-STQMWFEESA-N 1 0 236.315 0.972 10 0 BCAERO CO[C@H]1C[C@@H](CO)[N@H+](CCOCC(C)C)C1 ZINC000344670236 388509501 /nfs/dbraw/zinc/50/95/01/388509501.db2.gz DCYRHJGNGOCFTO-RYUDHWBXSA-N 1 0 231.336 0.741 10 0 BCAERO CO[C@@H]1C[C@@H](CO)[N@H+](C[C@@H]2CCCCO2)C1 ZINC000344741250 388510121 /nfs/dbraw/zinc/51/01/21/388510121.db2.gz RBVUJXRGNOPTBC-SDDRHHMPSA-N 1 0 229.320 0.637 10 0 BCAERO C[C@@H]([NH3+])CCNC(=O)Cn1cnc2ccccc21 ZINC000516773346 388517051 /nfs/dbraw/zinc/51/70/51/388517051.db2.gz PVUTWQSOXDQNCD-SNVBAGLBSA-N 1 0 246.314 0.890 10 0 BCAERO CSCC[N@@H+]1C[C@@H](C)[C@H](C(N)=O)C1 ZINC000346633218 388520564 /nfs/dbraw/zinc/52/05/64/388520564.db2.gz ACOVSJPSFJNXQG-HTQZYQBOSA-N 1 0 202.323 0.403 10 0 BCAERO C[C@H]([NH3+])CNc1ccnc2cccnc21 ZINC000379228810 388599597 /nfs/dbraw/zinc/59/95/97/388599597.db2.gz YGGBMTVOCLNOCO-QMMMGPOBSA-N 1 0 202.261 0.811 10 0 BCAERO COC[C@H]([NH3+])C(=O)N1C[C@@H](C)CC[C@@H]1C ZINC000220187135 388602522 /nfs/dbraw/zinc/60/25/22/388602522.db2.gz ZVLCUGVPXLTPLG-GUBZILKMSA-N 1 0 214.309 0.607 10 0 BCAERO Cc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2O)nc1 ZINC000623767079 388604969 /nfs/dbraw/zinc/60/49/69/388604969.db2.gz PMOPWAUIRJXSPX-NEPJUHHUSA-N 1 0 222.288 0.629 10 0 BCAERO CCc1nc(CN(C)[C@H]2C[NH2+]C[C@@H]2O)cs1 ZINC000328327929 388607086 /nfs/dbraw/zinc/60/70/86/388607086.db2.gz INXNLYHXNBMFNV-UWVGGRQHSA-N 1 0 241.360 0.470 10 0 BCAERO c1cnc(N2CC[N@@H+]3CCC[C@H]3C2)nc1 ZINC000246010839 388613936 /nfs/dbraw/zinc/61/39/36/388613936.db2.gz IEFJUATXUYELKF-JTQLQIEISA-N 1 0 204.277 0.761 10 0 BCAERO CCS(=O)(=O)C[C@@H](C)[NH2+][C@@H]1CCO[C@@H]1C ZINC000089638416 388552354 /nfs/dbraw/zinc/55/23/54/388552354.db2.gz BWQLJQYLOMNYEQ-OPRDCNLKSA-N 1 0 235.349 0.577 10 0 BCAERO CO[C@H](CNC(=O)[C@@H]1C[NH2+]C[C@H]1C)C(C)C ZINC000362978103 388563424 /nfs/dbraw/zinc/56/34/24/388563424.db2.gz XLFKAUCRDRRMCT-GMTAPVOTSA-N 1 0 228.336 0.629 10 0 BCAERO CCOC(=O)CCCNC(=O)[C@@H](C)[NH2+]C ZINC000081524505 388580657 /nfs/dbraw/zinc/58/06/57/388580657.db2.gz MTGRNBUGOFULHT-MRVPVSSYSA-N 1 0 216.281 0.054 10 0 BCAERO COC(=O)[C@@]1(C(C)(C)O)CCC[NH2+]C1 ZINC000221270049 388584306 /nfs/dbraw/zinc/58/43/06/388584306.db2.gz CHTMLELOPMRNIH-SNVBAGLBSA-N 1 0 201.266 0.300 10 0 BCAERO Cc1ccc2c(n1)N(C)[C@H](CO)CC[NH2+]C2 ZINC000225395158 388679398 /nfs/dbraw/zinc/67/93/98/388679398.db2.gz SQWOYWAMWYZLDY-NSHDSACASA-N 1 0 221.304 0.680 10 0 biogenic,in-vitro BCAERO COC[C@H]1C[N@H+](CC(C)(C)O)C[C@@H](C)O1 ZINC000189425524 388633810 /nfs/dbraw/zinc/63/38/10/388633810.db2.gz RPYSLIDTMQNHTC-NXEZZACHSA-N 1 0 217.309 0.493 10 0 BCAERO COC[C@H](NC(=O)[C@@H]1CC[NH2+]C1)C(C)C ZINC000083399142 388639249 /nfs/dbraw/zinc/63/92/49/388639249.db2.gz MIDLDUNNEBHINN-ZJUUUORDSA-N 1 0 214.309 0.383 10 0 BCAERO CCC(=O)N1CC[N@H+](C[C@H](C)O)[C@H](C)C1 ZINC000246795305 388651860 /nfs/dbraw/zinc/65/18/60/388651860.db2.gz QZOKHYSZAYXXEY-ZJUUUORDSA-N 1 0 214.309 0.310 10 0 BCAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1nncn1C ZINC000246810843 388652436 /nfs/dbraw/zinc/65/24/36/388652436.db2.gz CCPMALMBCUTKQK-MNOVXSKESA-N 1 0 235.335 0.484 10 0 BCAERO Cn1ccnc1CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000247108915 388659109 /nfs/dbraw/zinc/65/91/09/388659109.db2.gz IWAMCMQURODEEW-NSHDSACASA-N 1 0 220.320 0.700 10 0 BCAERO c1nc2n(n1)C[C@@H]([NH2+]Cc1cncs1)CC2 ZINC000124263664 388661233 /nfs/dbraw/zinc/66/12/33/388661233.db2.gz AGFCLTLKJIQMEE-QMMMGPOBSA-N 1 0 235.316 0.839 10 0 BCAERO C[C@@H]1CC[N@H+](C[C@H](O)COC(C)(C)C)[C@H]1CO ZINC000248873864 388697574 /nfs/dbraw/zinc/69/75/74/388697574.db2.gz CBDDOBZNZSQOFT-WOPDTQHZSA-N 1 0 245.363 0.865 10 0 BCAERO COC[C@H](O)C[N@@H+]1CCS[C@@H](C)C1 ZINC000126597995 388697877 /nfs/dbraw/zinc/69/78/77/388697877.db2.gz CUMNMAGZIZVEKA-DTWKUNHWSA-N 1 0 205.323 0.431 10 0 BCAERO [NH3+]Cc1cccc(CO[C@H]2CCOC2)n1 ZINC000114049086 388699887 /nfs/dbraw/zinc/69/98/87/388699887.db2.gz BBKGPBZDHDBSSO-NSHDSACASA-N 1 0 208.261 0.846 10 0 BCAERO [NH3+]Cc1cccc(CO[C@@H]2CCOC2)n1 ZINC000114049088 388699975 /nfs/dbraw/zinc/69/99/75/388699975.db2.gz BBKGPBZDHDBSSO-LLVKDONJSA-N 1 0 208.261 0.846 10 0 BCAERO C[NH2+]C[C@@H]1C[C@@H](F)CN1Cc1nccn1C ZINC000396458376 388702228 /nfs/dbraw/zinc/70/22/28/388702228.db2.gz HFNATPOJGSXDFA-ZJUUUORDSA-N 1 0 226.299 0.552 10 0 BCAERO C[NH2+]C[C@H]1C[C@H](F)CN1Cc1nccn1C ZINC000396458370 388702484 /nfs/dbraw/zinc/70/24/84/388702484.db2.gz HFNATPOJGSXDFA-VHSXEESVSA-N 1 0 226.299 0.552 10 0 BCAERO CSC[C@H](O)C[NH+]1[C@@H](C)COC[C@@H]1C ZINC000249191911 388711423 /nfs/dbraw/zinc/71/14/23/388711423.db2.gz AGDNDJMLTYVSNP-LPEHRKFASA-N 1 0 219.350 0.820 10 0 BCAERO COC(=O)c1ccc(N(C)CCC[NH3+])nn1 ZINC000227749393 388756881 /nfs/dbraw/zinc/75/68/81/388756881.db2.gz DTMIUDJNSGTODR-UHFFFAOYSA-N 1 0 224.264 0.048 10 0 BCAERO COC[C@@H](C)NC(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000226753057 388728340 /nfs/dbraw/zinc/72/83/40/388728340.db2.gz CCZKCIKFHFTKGB-KXUCPTDWSA-N 1 0 214.309 0.655 10 0 BCAERO CC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)OC)C1 ZINC000249609639 388730998 /nfs/dbraw/zinc/73/09/98/388730998.db2.gz CGZFAGTWAXMQPC-VHSXEESVSA-N 1 0 214.309 0.622 10 0 BCAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)C2(O)CCC2)C1 ZINC000253153372 388806381 /nfs/dbraw/zinc/80/63/81/388806381.db2.gz UITBBABVVSHHLJ-WDEREUQCSA-N 1 0 240.347 0.746 10 0 BCAERO CCC[C@H](C(=O)N[C@@H]1C[C@@H](O)C1(C)C)[NH+](C)C ZINC000250126222 388784582 /nfs/dbraw/zinc/78/45/82/388784582.db2.gz WGBANSYXPRVSEP-GMTAPVOTSA-N 1 0 242.363 0.992 10 0 BCAERO F[C@H]1CCN(C[C@@H]2C[NH2+]CCS2)C1 ZINC000575461781 388816272 /nfs/dbraw/zinc/81/62/72/388816272.db2.gz LQCLIRHWPSKRIK-IUCAKERBSA-N 1 0 204.314 0.735 10 0 BCAERO O=C(C[C@H]1CCC[NH2+]C1)NCc1ccno1 ZINC000231894144 388844416 /nfs/dbraw/zinc/84/44/16/388844416.db2.gz LUIDYWSJZMKCHZ-SECBINFHSA-N 1 0 223.276 0.681 10 0 BCAERO CO[C@@H]1C[C@@H](CO)[N@H+](Cc2cnn(C)c2C)C1 ZINC000284500517 388828549 /nfs/dbraw/zinc/82/85/49/388828549.db2.gz HELPHUSZILOGOW-NWDGAFQWSA-N 1 0 239.319 0.310 10 0 BCAERO [NH3+]CC1(N2CCC=C(Br)C2)COC1 ZINC000575464001 388830715 /nfs/dbraw/zinc/83/07/15/388830715.db2.gz VBALKEXIKBJSHA-UHFFFAOYSA-N 1 0 247.136 0.699 10 0 BCAERO C[S@](=O)N1C[C@@H](C[NH3+])C2(CCC2)C1 ZINC000575465857 388836720 /nfs/dbraw/zinc/83/67/20/388836720.db2.gz ZUAFWKCYKMWHIU-OQPBUACISA-N 1 0 202.323 0.341 10 0 BCAERO O[C@H](c1cscn1)[C@@H]1CSCC[NH2+]1 ZINC000575468396 388840507 /nfs/dbraw/zinc/84/05/07/388840507.db2.gz OYMLJFJCDCOWNB-XPUUQOCRSA-N 1 0 216.331 0.882 10 0 BCAERO [NH3+][C@@H]1COC[C@H]1[C@@H](O)c1ccsn1 ZINC000575469448 388841356 /nfs/dbraw/zinc/84/13/56/388841356.db2.gz LRKQBGFEZKUUKF-ATRFCDNQSA-N 1 0 200.263 0.150 10 0 BCAERO C[C@@H]1C[C@@]1([NH3+])C[C@H]1CCCS1(=O)=O ZINC000575468700 388841923 /nfs/dbraw/zinc/84/19/23/388841923.db2.gz NJNAYNZUJVNQHI-IWSPIJDZSA-N 1 0 203.307 0.691 10 0 BCAERO NC(=S)C[N@@H+]1CC[C@H]2COC[C@H]2C1 ZINC000575483368 388864835 /nfs/dbraw/zinc/86/48/35/388864835.db2.gz FVRNTRVYVGWFFF-JGVFFNPUSA-N 1 0 200.307 0.241 10 0 BCAERO C[C@@H]1CC[NH2+]C[C@H]1CN=S(C)(C)=O ZINC000575489147 388887091 /nfs/dbraw/zinc/88/70/91/388887091.db2.gz ZYLPSDSNVMVNCN-BDAKNGLRSA-N 1 0 204.339 0.960 10 0 BCAERO COC(=O)[C@H](C1CC1)[N@@H+]1C[C@@H](C)C[C@H](O)C1 ZINC000401615110 533227779 /nfs/dbraw/zinc/22/77/79/533227779.db2.gz MTWYLRQUSMAJLP-LSJOCFKGSA-N 1 0 227.304 0.641 10 0 BCAERO C[C@@H]1CN(c2ncc(F)cn2)[C@@H](C)C[NH2+]1 ZINC000163677252 132235765 /nfs/dbraw/zinc/23/57/65/132235765.db2.gz LGEMOILJDGJXOQ-SFYZADRCSA-N 1 0 210.256 0.802 10 0 BCAERO CCOc1cc(N2CCO[C@H](C[NH3+])C2)ncn1 ZINC000090784274 132237044 /nfs/dbraw/zinc/23/70/44/132237044.db2.gz VXQZUWMYVSCLSO-SECBINFHSA-N 1 0 238.291 0.039 10 0 BCAERO C[C@@H](C[NH2+]C[C@@H](O)C(C)(C)C)S(C)(=O)=O ZINC000566113868 388988444 /nfs/dbraw/zinc/98/84/44/388988444.db2.gz ZZQBAPZARSVKRF-DTWKUNHWSA-N 1 0 237.365 0.416 10 0 BCAERO [NH3+][C@@]1([C@H](O)c2ccns2)CCOC1 ZINC000575504053 388990696 /nfs/dbraw/zinc/99/06/96/388990696.db2.gz CDILHPVOEBMISG-SFYZADRCSA-N 1 0 200.263 0.294 10 0 BCAERO Cc1nc(N2CCC([NH3+])CC2)[nH]c(=O)c1C ZINC000045946878 132298780 /nfs/dbraw/zinc/29/87/80/132298780.db2.gz JWDJFBGWACJLQL-UHFFFAOYSA-N 1 0 222.292 0.314 10 0 BCAERO CN1c2ccccc2[C@H](NCC[NH3+])CC1=O ZINC000037713031 132344931 /nfs/dbraw/zinc/34/49/31/132344931.db2.gz DBFCVCXTSVWNFV-SNVBAGLBSA-N 1 0 219.288 0.643 10 0 BCAERO NC(=O)c1ccc(N2CCC[C@H]([NH3+])C2)cc1 ZINC000041030247 132349258 /nfs/dbraw/zinc/34/92/58/132349258.db2.gz UWGHDIGWAQQRHJ-JTQLQIEISA-N 1 0 219.288 0.713 10 0 BCAERO Cc1ccc(C[NH3+])c(N2CCOCC2)n1 ZINC000043395443 132352818 /nfs/dbraw/zinc/35/28/18/132352818.db2.gz STZWXDYWEWKKFU-UHFFFAOYSA-N 1 0 207.277 0.685 10 0 BCAERO C[C@@H]1CN(c2ccc(C[NH3+])nn2)C[C@H](C)O1 ZINC000051396190 132359951 /nfs/dbraw/zinc/35/99/51/132359951.db2.gz BPYSGKGSRRBZLJ-DTORHVGOSA-N 1 0 222.292 0.549 10 0 BCAERO [NH3+]CCc1cnc(N2CCCCC2)nc1 ZINC000054857556 132364992 /nfs/dbraw/zinc/36/49/92/132364992.db2.gz OOPDPNPWGVELRU-UHFFFAOYSA-N 1 0 206.293 0.968 10 0 BCAERO CCN(C(C)C)S(=O)(=O)N1CCC[NH2+]CC1 ZINC000037082489 169664342 /nfs/dbraw/zinc/66/43/42/169664342.db2.gz QOFWETYOPHPOCD-UHFFFAOYSA-N 1 0 249.380 0.257 10 0 BCAERO CCN(C)C(=O)CN(CC[NH3+])Cc1ccccc1 ZINC000038033221 169670194 /nfs/dbraw/zinc/67/01/94/169670194.db2.gz JKGAANJTEBPGBZ-UHFFFAOYSA-N 1 0 249.358 0.926 10 0 BCAERO CCN(CC(=O)NC)C(=O)[C@@H]1CCC[C@H](C)[NH2+]1 ZINC000042516844 169722125 /nfs/dbraw/zinc/72/21/25/169722125.db2.gz BNZJVOTYHATNFS-UWVGGRQHSA-N 1 0 241.335 0.112 10 0 BCAERO C(CN1CC[N@@H+]2CCC[C@@H]2C1)C1OCCO1 ZINC000185339522 533360027 /nfs/dbraw/zinc/36/00/27/533360027.db2.gz ZVWNITNRYNAFFY-LLVKDONJSA-N 1 0 226.320 0.529 10 0 BCAERO CSCCCC(=O)N1C[C@H](C)[C@H]([NH3+])C1 ZINC000402018037 533535967 /nfs/dbraw/zinc/53/59/67/533535967.db2.gz CZZGZOSVUITICT-DTWKUNHWSA-N 1 0 216.350 0.935 10 0 BCAERO COc1ccnc(N2CCC[C@H](C[NH3+])C2)n1 ZINC000044532064 132225030 /nfs/dbraw/zinc/22/50/30/132225030.db2.gz WQEVZSQGQMKXJJ-SECBINFHSA-N 1 0 222.292 0.660 10 0 BCAERO C[C@@H]1CCCN(c2ncnc3nc[nH]c32)[C@@H]1C[NH3+] ZINC000070178363 132230270 /nfs/dbraw/zinc/23/02/70/132230270.db2.gz CTYACOWDHSUKNB-RKDXNWHRSA-N 1 0 246.318 0.917 10 0 BCAERO C[C@H]1CN(c2ncc(F)cn2)[C@@H](C)C[NH2+]1 ZINC000163677487 132236027 /nfs/dbraw/zinc/23/60/27/132236027.db2.gz LGEMOILJDGJXOQ-YUMQZZPRSA-N 1 0 210.256 0.802 10 0 BCAERO COc1cc(OC)nc(N2CCC[C@H]([NH3+])C2)n1 ZINC000134990948 132239506 /nfs/dbraw/zinc/23/95/06/132239506.db2.gz BCDDDTCBXMTZGO-QMMMGPOBSA-N 1 0 238.291 0.421 10 0 BCAERO CNc1ccc(N2CC[NH+](C)CC2)c(C(N)=O)c1 ZINC000226279514 132291557 /nfs/dbraw/zinc/29/15/57/132291557.db2.gz GAFFHGMJRIUVFI-UHFFFAOYSA-N 1 0 248.330 0.579 10 0 BCAERO Cc1cc(N2CCO[C@H](CO)C2)cc[nH+]1 ZINC000229582072 132292137 /nfs/dbraw/zinc/29/21/37/132292137.db2.gz ISGAMUZIFMEPLT-NSHDSACASA-N 1 0 208.261 0.588 10 0 BCAERO c1ccc(-c2cc(N3CC[NH2+]CC3)ncn2)nc1 ZINC000045950667 132298901 /nfs/dbraw/zinc/29/89/01/132298901.db2.gz LTYAADSXICDFIP-UHFFFAOYSA-N 1 0 241.298 0.948 10 0 BCAERO [NH3+]CC1CCN(c2nc3c(c(=O)[nH]2)CCC3)CC1 ZINC000057329672 132301213 /nfs/dbraw/zinc/30/12/13/132301213.db2.gz PSBBDUCROPYHTM-UHFFFAOYSA-N 1 0 248.330 0.434 10 0 BCAERO Nc1cccc2c1CCCN2C(=O)C[NH3+] ZINC000237947093 132302464 /nfs/dbraw/zinc/30/24/64/132302464.db2.gz AORLMWPUUHSCBT-UHFFFAOYSA-N 1 0 205.261 0.507 10 0 BCAERO Cc1cc(N2CCOCC2)c(C(N)=O)c(C)[nH+]1 ZINC000003099402 132308604 /nfs/dbraw/zinc/30/86/04/132308604.db2.gz JLNUOGBYZHHLIX-UHFFFAOYSA-N 1 0 235.287 0.634 10 0 BCAERO Nn1cc(C(F)(F)F)ccc1=[N+]1CCNCC1 ZINC000000157900 132312915 /nfs/dbraw/zinc/31/29/15/132312915.db2.gz QVBSOUIVIFLNNS-UHFFFAOYSA-N 1 0 247.244 0.116 10 0 BCAERO O=c1[nH]c2ccc(N3CC[NH2+]CC3)cc2o1 ZINC000011632580 132319890 /nfs/dbraw/zinc/31/98/90/132319890.db2.gz IMMUAMUEWBRUKT-UHFFFAOYSA-N 1 0 219.244 0.531 10 0 BCAERO [NH3+][C@@H]1CCc2nc(N3CCOCC3)ncc2C1 ZINC000020286099 132331205 /nfs/dbraw/zinc/33/12/05/132331205.db2.gz IOLVDEHYEZMUIO-SNVBAGLBSA-N 1 0 234.303 0.129 10 0 BCAERO Cn1c2ccccc2nc(N2CC[NH2+]CC2)c1=O ZINC000025966817 132333308 /nfs/dbraw/zinc/33/33/08/132333308.db2.gz CDYQSZXMIZBJFL-UHFFFAOYSA-N 1 0 244.298 0.343 10 0 BCAERO O=C1Nc2cc(F)c(F)cc2N2CC[NH2+]C[C@H]12 ZINC000026150815 132333608 /nfs/dbraw/zinc/33/36/08/132333608.db2.gz OUPPHZQRSSYATF-SNVBAGLBSA-N 1 0 239.225 0.695 10 0 BCAERO COc1cncc(N2CC[C@@H]3C[NH2+][C@@H]3C2)c1 ZINC000035080298 132337708 /nfs/dbraw/zinc/33/77/08/132337708.db2.gz LCZKBGIGJPKGQW-BXKDBHETSA-N 1 0 219.288 0.888 10 0 BCAERO Cc1cccc2c1C(=O)N[C@H]1C[NH2+]CCN21 ZINC000035940245 132339888 /nfs/dbraw/zinc/33/98/88/132339888.db2.gz RGCZEETYNQZRTH-SNVBAGLBSA-N 1 0 217.272 0.474 10 0 BCAERO O=C1N[C@H]2C[NH2+]CCN2c2cccc(Cl)c21 ZINC000035923955 132339914 /nfs/dbraw/zinc/33/99/14/132339914.db2.gz HVGOEFOHXQIZBF-SECBINFHSA-N 1 0 237.690 0.819 10 0 BCAERO CC(=O)N1CCN(c2[nH+]c(C)ccc2N)CC1 ZINC000036250710 132341430 /nfs/dbraw/zinc/34/14/30/132341430.db2.gz BTOGBPRTYSALKF-UHFFFAOYSA-N 1 0 234.303 0.641 10 0 BCAERO CC[C@H]1CN(c2ncccc2C(N)=[NH2+])CCO1 ZINC000036769931 132342559 /nfs/dbraw/zinc/34/25/59/132342559.db2.gz WHJFDVGYTOEKQA-VIFPVBQESA-N 1 0 234.303 0.981 10 0 BCAERO [NH3+]Cc1ccc(N2CCC[C@H](O)C2)nc1 ZINC000036795675 132342838 /nfs/dbraw/zinc/34/28/38/132342838.db2.gz HJOHDBMELHLDNL-JTQLQIEISA-N 1 0 207.277 0.501 10 0 BCAERO O=C1NCCc2ccc(N3CC[NH2+]CC3)cc21 ZINC000039076704 132346384 /nfs/dbraw/zinc/34/63/84/132346384.db2.gz VEQVNXLZBYYBSK-UHFFFAOYSA-N 1 0 231.299 0.382 10 0 BCAERO Cc1nnc(N2CCOCC2)c(C[NH3+])c1C ZINC000040290310 132347276 /nfs/dbraw/zinc/34/72/76/132347276.db2.gz JGHRDJGMHLVHJS-UHFFFAOYSA-N 1 0 222.292 0.389 10 0 BCAERO [NH3+][C@H]1CCC[C@H]1N1CCN(c2ncccn2)CC1 ZINC000040431830 132347534 /nfs/dbraw/zinc/34/75/34/132347534.db2.gz JDMISEUKCDSOJZ-NWDGAFQWSA-N 1 0 247.346 0.478 10 0 BCAERO C[NH+](C)C1CCN(c2ncc(N)cn2)CC1 ZINC000040455788 132347835 /nfs/dbraw/zinc/34/78/35/132347835.db2.gz VYOLRUKCKHZNGT-UHFFFAOYSA-N 1 0 221.308 0.589 10 0 BCAERO CC[NH+]1CCN(c2ncnc(NC)c2N)CC1 ZINC000040706825 132348294 /nfs/dbraw/zinc/34/82/94/132348294.db2.gz TYFUQNWMQUTDKK-UHFFFAOYSA-N 1 0 236.323 0.242 10 0 BCAERO NC(=O)c1ccccc1N1CCC[C@H]([NH3+])C1 ZINC000041030133 132348815 /nfs/dbraw/zinc/34/88/15/132348815.db2.gz UYTZJMNARAGZAT-VIFPVBQESA-N 1 0 219.288 0.713 10 0 BCAERO CC[NH+]1CCN(c2ncnc3c(C)[nH]nc32)CC1 ZINC000041528120 132350289 /nfs/dbraw/zinc/35/02/89/132350289.db2.gz VHTOHZKRKGJHFI-UHFFFAOYSA-N 1 0 246.318 0.803 10 0 BCAERO CNC(=O)[C@H]1CCCCN1c1ncccc1C[NH3+] ZINC000042408009 132351516 /nfs/dbraw/zinc/35/15/16/132351516.db2.gz VJFRAHZZLZMOTJ-LLVKDONJSA-N 1 0 248.330 0.645 10 0 BCAERO C[C@@H]1CC[C@@H](C(N)=O)CN1c1ccc(C[NH3+])cn1 ZINC000042427008 132351676 /nfs/dbraw/zinc/35/16/76/132351676.db2.gz DLUHSMCKGWGSGI-MWLCHTKSSA-N 1 0 248.330 0.631 10 0 BCAERO NC(=O)CC1CCN(c2ncccc2C[NH3+])CC1 ZINC000042427030 132351990 /nfs/dbraw/zinc/35/19/90/132351990.db2.gz BDOZTBGRIZMLKN-UHFFFAOYSA-N 1 0 248.330 0.632 10 0 BCAERO NC(=O)[C@@H]1CCCCN1c1cc(N)cc[nH+]1 ZINC000043569250 132353731 /nfs/dbraw/zinc/35/37/31/132353731.db2.gz FVBFJKJZZOSVKD-VIFPVBQESA-N 1 0 220.276 0.508 10 0 BCAERO C[C@@H](CC(N)=[NH2+])N1CCN(c2ccccn2)CC1 ZINC000048249780 132355332 /nfs/dbraw/zinc/35/53/32/132355332.db2.gz ZXZNODPWWKFYCC-NSHDSACASA-N 1 0 247.346 0.918 10 0 BCAERO CCCc1cc(N)nc(N2CCOCC2)[nH+]1 ZINC000050845811 132359491 /nfs/dbraw/zinc/35/94/91/132359491.db2.gz GDYDXVSFGHGQJC-UHFFFAOYSA-N 1 0 222.292 0.848 10 0 BCAERO CNc1nc(N2CCOCC2)[nH+]c(C)c1C ZINC000050864140 132359564 /nfs/dbraw/zinc/35/95/64/132359564.db2.gz OTSYQWJLFOOZAX-UHFFFAOYSA-N 1 0 222.292 0.972 10 0 BCAERO [NH3+]Cc1ccc(N2CCSCC2)nn1 ZINC000051396559 132360051 /nfs/dbraw/zinc/36/00/51/132360051.db2.gz ALZPDQBULGSRDZ-UHFFFAOYSA-N 1 0 210.306 0.489 10 0 BCAERO CC[C@H]1CN(c2nccnc2C(N)=[NH2+])CCO1 ZINC000054379630 132364590 /nfs/dbraw/zinc/36/45/90/132364590.db2.gz MNCZWVPHHFHPCW-QMMMGPOBSA-N 1 0 235.291 0.376 10 0 BCAERO CN(C)c1nccc(N2CCC[C@H](C[NH3+])C2)n1 ZINC000068690021 132364814 /nfs/dbraw/zinc/36/48/14/132364814.db2.gz TXOSIZAKJOCYPZ-SNVBAGLBSA-N 1 0 235.335 0.718 10 0 BCAERO Cc1cc(C)nc(N2CCN([C@@H](C)C[NH3+])CC2)n1 ZINC000058020114 132367721 /nfs/dbraw/zinc/36/77/21/132367721.db2.gz LMWPAXQNUBSALS-LBPRGKRZSA-N 1 0 249.362 0.563 10 0 BCAERO Nc1nc(Cl)cc(N2CCC([NH3+])CC2)n1 ZINC000058825020 132368365 /nfs/dbraw/zinc/36/83/65/132368365.db2.gz RBGZKHDDSYZZKO-UHFFFAOYSA-N 1 0 227.699 0.640 10 0 BCAERO CNC(=O)[C@H]1CCCCN1c1ccnc(C[NH3+])c1 ZINC000061811685 132387123 /nfs/dbraw/zinc/38/71/23/132387123.db2.gz KRSOAZOWSLLWOO-GFCCVEGCSA-N 1 0 248.330 0.645 10 0 BCAERO CCn1ccnc(N2CC[NH2+]C[C@@H]2C)c1=O ZINC000061768498 132387261 /nfs/dbraw/zinc/38/72/61/132387261.db2.gz UIFGELCIEPZBRG-VIFPVBQESA-N 1 0 222.292 0.061 10 0 BCAERO C[C@@H]([NH3+])[C@@H]1CCCCN1c1cncc2nnnn21 ZINC000063196557 132389378 /nfs/dbraw/zinc/38/93/78/132389378.db2.gz GOKCVUXXLGGCBQ-BDAKNGLRSA-N 1 0 247.306 0.225 10 0 BCAERO [NH3+]C[C@H](CO)N1CCN(c2ccccc2)CC1 ZINC000077371438 132411196 /nfs/dbraw/zinc/41/11/96/132411196.db2.gz ZKKQJVTWTQCUTL-CYBMUJFWSA-N 1 0 235.331 0.128 10 0 BCAERO c1n[nH]c2cc(N3CC[NH2+]CC3)ccc12 ZINC000082914037 132417266 /nfs/dbraw/zinc/41/72/66/132417266.db2.gz SAOSRZZZVNSGKU-UHFFFAOYSA-N 1 0 202.261 0.973 10 0 BCAERO C[NH2+]C1CCN(c2ncccc2O)CC1 ZINC000095071534 132429909 /nfs/dbraw/zinc/42/99/09/132429909.db2.gz RRJMIECUTJLRLF-UHFFFAOYSA-N 1 0 207.277 0.975 10 0 BCAERO [NH3+]C[C@H](CO)N1CCCc2ccccc21 ZINC000077299847 132444051 /nfs/dbraw/zinc/44/40/51/132444051.db2.gz GZVHKAUSYIVWFF-LLVKDONJSA-N 1 0 206.289 0.759 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N(C)Cc1cnc(C)s1 ZINC000088003283 133543797 /nfs/dbraw/zinc/54/37/97/133543797.db2.gz DJVSIIPXBYQEGL-SECBINFHSA-N 1 0 243.332 0.384 10 0 BCAERO Cc1nn(C)cc1C(=O)NC[C@@H]1CC[NH2+]C1 ZINC000230073078 133666792 /nfs/dbraw/zinc/66/67/92/133666792.db2.gz YGEKUJVSABZPPK-SECBINFHSA-N 1 0 222.292 0.068 10 0 BCAERO [NH3+]C[C@@H]1CCCN1S(=O)(=O)c1ccsc1 ZINC000335130298 133794697 /nfs/dbraw/zinc/79/46/97/133794697.db2.gz MRVOYVWQIOXJDB-QMMMGPOBSA-N 1 0 246.357 0.860 10 0 BCAERO O=C(NC[C@@H]1CC[NH2+]C1)c1ccc2n[nH]cc2c1 ZINC000335990193 134040078 /nfs/dbraw/zinc/04/00/78/134040078.db2.gz QZIKDNXEBVUPTH-SECBINFHSA-N 1 0 244.298 0.902 10 0 BCAERO C[C@H](O)C1CC[NH+](CC2(O)CCC2)CC1 ZINC000336136575 134095809 /nfs/dbraw/zinc/09/58/09/134095809.db2.gz XXNKUPMVFRTHKC-JTQLQIEISA-N 1 0 213.321 0.994 10 0 BCAERO Cn1nccc1NC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000085012305 134221154 /nfs/dbraw/zinc/22/11/54/134221154.db2.gz TVOFGUXDVQYTAZ-HTQZYQBOSA-N 1 0 208.265 0.486 10 0 BCAERO CSCCCNC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000085013378 134221359 /nfs/dbraw/zinc/22/13/59/134221359.db2.gz WRMISLQCHGZZBE-BDAKNGLRSA-N 1 0 216.350 0.983 10 0 BCAERO [NH3+][C@@H]1CC[C@@H](C(=O)NCCc2cscn2)C1 ZINC000085013317 134221549 /nfs/dbraw/zinc/22/15/49/134221549.db2.gz GDKXHVGEOPKUQF-RKDXNWHRSA-N 1 0 239.344 0.929 10 0 BCAERO C[C@@H]1C[C@@H]1NC(=O)NC1CC[NH+](C)CC1 ZINC000170836897 134253898 /nfs/dbraw/zinc/25/38/98/134253898.db2.gz UQPMWXGAVMYALI-SCZZXKLOSA-N 1 0 211.309 0.788 10 0 BCAERO C[C@H]1C[C@H]1NC(=O)NC1CC[NH+](C)CC1 ZINC000170836904 134254021 /nfs/dbraw/zinc/25/40/21/134254021.db2.gz UQPMWXGAVMYALI-WCBMZHEXSA-N 1 0 211.309 0.788 10 0 BCAERO CC(C)(O)C[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000171625521 134256998 /nfs/dbraw/zinc/25/69/98/134256998.db2.gz VRXBFDZGNKGRMC-JTQLQIEISA-N 1 0 224.308 0.686 10 0 BCAERO COC[C@@H](C)C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000171534961 134258982 /nfs/dbraw/zinc/25/89/82/134258982.db2.gz UXELYTPNHUVDRT-VXGBXAGGSA-N 1 0 240.347 0.966 10 0 BCAERO O=C(NC1C[NH2+]C1)c1ccc(F)c(F)c1 ZINC000085255716 134262276 /nfs/dbraw/zinc/26/22/76/134262276.db2.gz WZHOKXNMJSZTDM-UHFFFAOYSA-N 1 0 212.199 0.666 10 0 BCAERO COc1ccccc1C(=O)N(C)C1C[NH2+]C1 ZINC000085257720 134269809 /nfs/dbraw/zinc/26/98/09/134269809.db2.gz HDFPJPHYWGELDC-UHFFFAOYSA-N 1 0 220.272 0.739 10 0 BCAERO CN(C(=O)c1cccc(F)c1)C1C[NH2+]C1 ZINC000085257760 134270000 /nfs/dbraw/zinc/27/00/00/134270000.db2.gz JIILXWXLJKEVRN-UHFFFAOYSA-N 1 0 208.236 0.870 10 0 BCAERO CN(C(=O)[C@@H]1CCCS1)C1C[NH2+]C1 ZINC000085257788 134270171 /nfs/dbraw/zinc/27/01/71/134270171.db2.gz IUFAOOZBWYVTQK-QMMMGPOBSA-N 1 0 200.307 0.312 10 0 BCAERO Cc1nnc([C@H]2CN(C(C)C)CCO2)[nH]1 ZINC000173673506 134275988 /nfs/dbraw/zinc/27/59/88/134275988.db2.gz KEAMGXJGQVGPRT-SECBINFHSA-N 1 0 210.281 0.895 10 0 BCAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)COC ZINC000175044831 134284372 /nfs/dbraw/zinc/28/43/72/134284372.db2.gz NZKGOTNGGUSMKM-WDEREUQCSA-N 1 0 226.320 0.718 10 0 BCAERO COCCC[N@H+]1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000177262681 134296624 /nfs/dbraw/zinc/29/66/24/134296624.db2.gz UGHNGLUUJZQLIN-STQMWFEESA-N 1 0 242.363 0.675 10 0 BCAERO C[C@H](O)CC[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000220598518 134309717 /nfs/dbraw/zinc/30/97/17/134309717.db2.gz IRIYUXQHEPPZCZ-NWDGAFQWSA-N 1 0 228.336 0.164 10 0 BCAERO CCO[C@H]1C[C@@H]1C(=O)NCCC[NH2+]C ZINC000178417110 134309984 /nfs/dbraw/zinc/30/99/84/134309984.db2.gz JATIFKZPEQRGCB-IUCAKERBSA-N 1 0 200.282 0.137 10 0 BCAERO COCCCCC(=O)NCC[C@@H](C)[NH3+] ZINC000178666768 134312589 /nfs/dbraw/zinc/31/25/89/134312589.db2.gz CWWHBDCUUNFQCD-SECBINFHSA-N 1 0 202.298 0.657 10 0 BCAERO C[C@@H]([NH3+])CCNC(=O)CC[C@H]1CCOC1 ZINC000178668856 134312597 /nfs/dbraw/zinc/31/25/97/134312597.db2.gz ZUQWBEPAEMAGNT-ZJUUUORDSA-N 1 0 214.309 0.657 10 0 BCAERO CO[C@@H](C)C[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000182148539 134342328 /nfs/dbraw/zinc/34/23/28/134342328.db2.gz CCCOUKQTKBHTIQ-QWRGUYRKSA-N 1 0 224.308 0.950 10 0 BCAERO Cn1cnc(CN[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)n1 ZINC000224775213 134350143 /nfs/dbraw/zinc/35/01/43/134350143.db2.gz HLYNSZVBHUALKQ-GDPRMGEGSA-N 1 0 236.319 0.718 10 0 BCAERO CC[C@H](C(N)=O)N1C[C@@H](C)[C@@H]([NH+](C)C)C1 ZINC000226094072 134358451 /nfs/dbraw/zinc/35/84/51/134358451.db2.gz KEMFMNAFWQIBOQ-BBBLOLIVSA-N 1 0 213.325 0.132 10 0 BCAERO CCOC(=O)CN1C[C@H]([NH+](C)C)[C@@H](C)C1 ZINC000226081317 134358669 /nfs/dbraw/zinc/35/86/69/134358669.db2.gz IPGWMJUVIQYADT-UWVGGRQHSA-N 1 0 214.309 0.431 10 0 BCAERO CC(C)n1cc(C[NH2+][C@@H]2CCCNC2=O)cn1 ZINC000226243249 134362003 /nfs/dbraw/zinc/36/20/03/134362003.db2.gz GDJACKGNJOPLGL-LLVKDONJSA-N 1 0 236.319 0.832 10 0 BCAERO CC(C)(C)CC[N@@H+]1C[C@@H](O)C[C@@H]1CO ZINC000185145733 134371815 /nfs/dbraw/zinc/37/18/15/134371815.db2.gz VWRSUCGOEXBJSR-ZJUUUORDSA-N 1 0 201.310 0.850 10 0 BCAERO CC[NH2+]CCNc1cc(OCC)ncn1 ZINC000085482549 134378013 /nfs/dbraw/zinc/37/80/13/134378013.db2.gz WPRNUSATJBQOOI-UHFFFAOYSA-N 1 0 210.281 0.897 10 0 BCAERO CCCCOC[C@@H](O)C[N@@H+]1CCC[C@H]1CO ZINC000227913253 134398435 /nfs/dbraw/zinc/39/84/35/134398435.db2.gz ARUQGUVDWQGXSJ-RYUDHWBXSA-N 1 0 231.336 0.621 10 0 BCAERO C[C@H]1[NH2+]CCC[C@H]1NC(=O)Cc1ccncc1 ZINC000229584444 134459044 /nfs/dbraw/zinc/45/90/44/134459044.db2.gz WMQFRNNLJQQBHN-ZYHUDNBSSA-N 1 0 233.315 0.881 10 0 BCAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)Cc1ccncc1 ZINC000229584439 134459579 /nfs/dbraw/zinc/45/95/79/134459579.db2.gz WMQFRNNLJQQBHN-CMPLNLGQSA-N 1 0 233.315 0.881 10 0 BCAERO C[C@@H](NC(=O)[C@H]1CCC[NH2+]C1)c1cn[nH]c1 ZINC000229704942 134465178 /nfs/dbraw/zinc/46/51/78/134465178.db2.gz GRNBGYHLCVRNEO-BDAKNGLRSA-N 1 0 222.292 0.587 10 0 BCAERO Cc1cnc(CNC(=O)C2C[NH2+]C2)s1 ZINC000230051548 134479040 /nfs/dbraw/zinc/47/90/40/134479040.db2.gz ZCAADGRYIYHLIG-UHFFFAOYSA-N 1 0 211.290 0.287 10 0 BCAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)[C@@H]1CCOC1 ZINC000085727232 134515865 /nfs/dbraw/zinc/51/58/65/134515865.db2.gz HUQDBSYYJCRMFC-IVZWLZJFSA-N 1 0 212.293 0.280 10 0 BCAERO CCCS(=O)(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000085727486 134517132 /nfs/dbraw/zinc/51/71/32/134517132.db2.gz XSCWHAMGVLUEGH-IUCAKERBSA-N 1 0 220.338 0.456 10 0 BCAERO CCC[C@H](C)NC(=O)[C@H](C)N1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000233334334 134561476 /nfs/dbraw/zinc/56/14/76/134561476.db2.gz PGEZYHKWGGJHDF-RHYQMDGZSA-N 1 0 241.379 0.959 10 0 BCAERO C[NH2+]C[C@H](C)C(=O)NC[C@H]1CCC[C@@H]1O ZINC000086070243 134581128 /nfs/dbraw/zinc/58/11/28/134581128.db2.gz SJIDSQPVUCJTRA-AEJSXWLSSA-N 1 0 214.309 0.119 10 0 BCAERO C[C@@H]1CN(C(=O)c2ccccn2)C[C@H]1[NH3+] ZINC000235370140 134592688 /nfs/dbraw/zinc/59/26/88/134592688.db2.gz GOZJWILMWAIXMH-RKDXNWHRSA-N 1 0 205.261 0.501 10 0 BCAERO Cc1cccc(C(=O)N2C[C@H]([NH3+])[C@@H](C)C2)n1 ZINC000235659590 134596608 /nfs/dbraw/zinc/59/66/08/134596608.db2.gz HPZXPPVGRMMGST-WPRPVWTQSA-N 1 0 219.288 0.809 10 0 BCAERO C[C@H]1CN(C(=O)c2ccc(F)cn2)C[C@@H]1[NH3+] ZINC000235645630 134596679 /nfs/dbraw/zinc/59/66/79/134596679.db2.gz WDUZKRQFIHYYQH-CBAPKCEASA-N 1 0 223.251 0.640 10 0 BCAERO C[C@H]1CN(C(=O)[C@@H]2CC[NH2+]C2)CCS1 ZINC000155700441 134695830 /nfs/dbraw/zinc/69/58/30/134695830.db2.gz PWMYJNBYPNEZOJ-DTWKUNHWSA-N 1 0 214.334 0.560 10 0 BCAERO Cc1nnc(NC[C@@H]([NH3+])C2CC2)nc1C ZINC000158984100 134758920 /nfs/dbraw/zinc/75/89/20/134758920.db2.gz GTWMOFSQVFRVME-SECBINFHSA-N 1 0 207.281 0.638 10 0 BCAERO CC(C)OCC(=O)NC[C@H]1CC[NH2+]C1 ZINC000159108153 134762715 /nfs/dbraw/zinc/76/27/15/134762715.db2.gz RXCKHDDOGICWTR-VIFPVBQESA-N 1 0 200.282 0.137 10 0 BCAERO C[C@@]1(C(=O)NC[C@H]2CCOC2)CCCC[NH2+]1 ZINC000159565569 134779887 /nfs/dbraw/zinc/77/98/87/134779887.db2.gz FVRMVDLOPJGBRA-PWSUYJOCSA-N 1 0 226.320 0.671 10 0 BCAERO C[C@H](O)[C@H]1CC[N@H+](C[C@@H](O)COC(C)(C)C)C1 ZINC000248547153 135004101 /nfs/dbraw/zinc/00/41/01/135004101.db2.gz JOCNKZXHGOLZRT-SDDRHHMPSA-N 1 0 245.363 0.865 10 0 BCAERO CCCCOC[C@@H](O)C[N@H+](C)[C@H](C)CO ZINC000248661769 135018704 /nfs/dbraw/zinc/01/87/04/135018704.db2.gz XNHAYDDNQRIBAA-MNOVXSKESA-N 1 0 219.325 0.477 10 0 BCAERO COCCC[N@@H+]1CCC[C@H](NC(C)=O)C1 ZINC000076709540 135048209 /nfs/dbraw/zinc/04/82/09/135048209.db2.gz CDFQMIHQNXNSMB-NSHDSACASA-N 1 0 214.309 0.623 10 0 BCAERO CCOC(=O)[C@H](C)N1C[C@H]([NH+](C)C)[C@@H](C)C1 ZINC000250672144 135058359 /nfs/dbraw/zinc/05/83/59/135058359.db2.gz NBLRFSXELKZISJ-DCAQKATOSA-N 1 0 228.336 0.820 10 0 BCAERO C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000250878201 135060770 /nfs/dbraw/zinc/06/07/70/135060770.db2.gz TXGROQKERZMZFL-QJPTWQEYSA-N 1 0 240.347 0.869 10 0 BCAERO C[C@H](CS(C)(=O)=O)[NH2+][C@H]1CCCC[C@H]1O ZINC000250991343 135061182 /nfs/dbraw/zinc/06/11/82/135061182.db2.gz MDZNGQLWJKTCNC-KXUCPTDWSA-N 1 0 235.349 0.313 10 0 BCAERO C[C@@H](O)CC[N@@H+]1CCN2CCCC[C@H]2C1 ZINC000251234598 135067535 /nfs/dbraw/zinc/06/75/35/135067535.db2.gz RAVYWJVWYKSNSK-NEPJUHHUSA-N 1 0 212.337 0.927 10 0 BCAERO C[C@H](O)CC[N@H+]1C[C@H](N(C)C)[C@@H](C)C1 ZINC000251742515 135077026 /nfs/dbraw/zinc/07/70/26/135077026.db2.gz KXTBJROIBZLLOH-DCAQKATOSA-N 1 0 200.326 0.639 10 0 BCAERO CC[C@H](C)NC(=O)C[NH2+][C@H]1CCO[C@H]1C ZINC000251850341 135078934 /nfs/dbraw/zinc/07/89/34/135078934.db2.gz MXPIBTYIRLBPRU-GUBZILKMSA-N 1 0 214.309 0.668 10 0 BCAERO COCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000247978667 135086438 /nfs/dbraw/zinc/08/64/38/135086438.db2.gz IZFAOTOWZSFQED-SECBINFHSA-N 1 0 200.282 0.185 10 0 BCAERO Cc1c(CN2CC[NH2+][C@@H](C)C2)cnn1C ZINC000086552448 135089463 /nfs/dbraw/zinc/08/94/63/135089463.db2.gz KVLPOURWAYTNDQ-VIFPVBQESA-N 1 0 208.309 0.522 10 0 BCAERO CC(C)OC[C@H](O)CN1C[C@H](C)[C@H]([NH+](C)C)C1 ZINC000252493252 135090451 /nfs/dbraw/zinc/09/04/51/135090451.db2.gz LHVSNQSDOPARLA-YNEHKIRRSA-N 1 0 244.379 0.654 10 0 BCAERO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1CC(N)=O ZINC000252662169 135094125 /nfs/dbraw/zinc/09/41/25/135094125.db2.gz VPMDLIXHVAPVFE-ZJUUUORDSA-N 1 0 211.309 0.030 10 0 BCAERO COC[C@H](O)C[N@@H+]1C[C@H]2CCCCN2C[C@H]1C ZINC000252662100 135094229 /nfs/dbraw/zinc/09/42/29/135094229.db2.gz UMSMWLNABUDIOK-JHJVBQTASA-N 1 0 242.363 0.552 10 0 BCAERO C[C@H](O)CC[N@@H+]1CCN2CCCC[C@@H]2C1 ZINC000086930240 135102297 /nfs/dbraw/zinc/10/22/97/135102297.db2.gz RAVYWJVWYKSNSK-NWDGAFQWSA-N 1 0 212.337 0.927 10 0 BCAERO CCS(=O)(=O)C[C@H](C)[NH2+][C@H]1CCCC[C@H]1O ZINC000252729872 135103586 /nfs/dbraw/zinc/10/35/86/135103586.db2.gz IRSZOXZELAQXHY-GARJFASQSA-N 1 0 249.376 0.703 10 0 BCAERO CO[C@H](C)[C@@H](C)[NH2+]C[C@H]1CN(C)CCO1 ZINC000252729863 135104017 /nfs/dbraw/zinc/10/40/17/135104017.db2.gz IQJBKWLKZCMYOT-MXWKQRLJSA-N 1 0 216.325 0.330 10 0 BCAERO C[C@@H]1CCCN(C(=O)[C@@H]2CC[C@H](C[NH3+])O2)C1 ZINC000087045345 135105525 /nfs/dbraw/zinc/10/55/25/135105525.db2.gz QBRIEDPGNUCCNP-MXWKQRLJSA-N 1 0 226.320 0.751 10 0 BCAERO C[C@@H]1OCC[C@@H]1NC(=O)[C@@H]1CCC[C@H]1[NH3+] ZINC000252754503 135107681 /nfs/dbraw/zinc/10/76/81/135107681.db2.gz ZEWCCFSGNQFTSJ-JLIMGVALSA-N 1 0 212.293 0.407 10 0 BCAERO C[C@@H]1OCC[C@@H]1NC(=O)[C@H]1CCC[C@@H]1[NH3+] ZINC000252754506 135107813 /nfs/dbraw/zinc/10/78/13/135107813.db2.gz ZEWCCFSGNQFTSJ-XKNYDFJKSA-N 1 0 212.293 0.407 10 0 BCAERO COC(=O)[C@H](C)C[N@@H+]1CC[C@H]([C@H](C)O)C1 ZINC000252772398 135108258 /nfs/dbraw/zinc/10/82/58/135108258.db2.gz MDMZUDUBHGCJBE-UTLUCORTSA-N 1 0 215.293 0.498 10 0 BCAERO C[C@@H]1[C@H]([NH3+])CCN1c1ccnc(N(C)C)n1 ZINC000261568864 135109991 /nfs/dbraw/zinc/10/99/91/135109991.db2.gz FWNPFTHIIXBXNG-RKDXNWHRSA-N 1 0 221.308 0.469 10 0 BCAERO C1OCC1[NH2+][C@H]1CCO[C@@]2(CCOC2)C1 ZINC000087195480 135111025 /nfs/dbraw/zinc/11/10/25/135111025.db2.gz GHCZYTUYGRAWFA-ONGXEEELSA-N 1 0 213.277 0.313 10 0 BCAERO COC[C@H](C)N(C)C(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000261666002 135111455 /nfs/dbraw/zinc/11/14/55/135111455.db2.gz FMVZMBSTSKZAKK-GARJFASQSA-N 1 0 228.336 0.997 10 0 BCAERO NC(=O)[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCOC1 ZINC000252813639 135111971 /nfs/dbraw/zinc/11/19/71/135111971.db2.gz RUGLMIZYYVIPPH-IVZWLZJFSA-N 1 0 212.293 0.409 10 0 BCAERO COC(=O)[C@](C)(O)C[N@H+](C)[C@H]1CCCC[C@@H]1O ZINC000252916336 135116269 /nfs/dbraw/zinc/11/62/69/135116269.db2.gz BEFQWVLXXIQDOV-JBLDHEPKSA-N 1 0 245.319 0.146 10 0 BCAERO CCCCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](CCO)C1 ZINC000252890632 135116390 /nfs/dbraw/zinc/11/63/90/135116390.db2.gz IERQFZZDIUUDKW-VXGBXAGGSA-N 1 0 242.363 0.996 10 0 BCAERO CCC(CC)(CCO)CNC(=O)C1C[NH2+]C1 ZINC000262267228 135116909 /nfs/dbraw/zinc/11/69/09/135116909.db2.gz SFBJGQQDLZBRKP-UHFFFAOYSA-N 1 0 228.336 0.511 10 0 BCAERO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)N[C@@H]1CCOC1 ZINC000087312146 135122578 /nfs/dbraw/zinc/12/25/78/135122578.db2.gz YUFGQSOZPGHDLE-AEJSXWLSSA-N 1 0 227.308 0.215 10 0 BCAERO C[C@H]([NH3+])CC(=O)NCCC1CCOCC1 ZINC000258645151 135132652 /nfs/dbraw/zinc/13/26/52/135132652.db2.gz AHZUDPDWRVDFDY-VIFPVBQESA-N 1 0 214.309 0.657 10 0 BCAERO O=C(NC[C@H]1CC[NH2+]C1)C1CCSCC1 ZINC000257769563 135141664 /nfs/dbraw/zinc/14/16/64/135141664.db2.gz IBTNZORRALIUIJ-VIFPVBQESA-N 1 0 228.361 0.855 10 0 BCAERO C[C@@H]1CN(C[C@@H]2CCC[NH2+]C2)CC(=O)N1C ZINC000257772247 135141910 /nfs/dbraw/zinc/14/19/10/135141910.db2.gz DHENZZMZMSLJCS-GHMZBOCLSA-N 1 0 225.336 0.149 10 0 BCAERO C[C@H]1C(=O)NCCCN1C[C@@H]1CCC[NH2+]C1 ZINC000257769651 135142017 /nfs/dbraw/zinc/14/20/17/135142017.db2.gz BSBIAULVXDYXNV-WDEREUQCSA-N 1 0 225.336 0.196 10 0 BCAERO CC[C@H](C)CNC(=O)C[C@@H]1COCC[NH2+]1 ZINC000087509503 135149785 /nfs/dbraw/zinc/14/97/85/135149785.db2.gz QLZKYOWSXNBSSB-VHSXEESVSA-N 1 0 214.309 0.527 10 0 BCAERO Cc1cnc(C)c(N2C[C@H](C)[C@H]([NH3+])C2)n1 ZINC000261530126 135157482 /nfs/dbraw/zinc/15/74/82/135157482.db2.gz CAYIHSCIYVTUKG-OIBJUYFYSA-N 1 0 206.293 0.877 10 0 BCAERO COC[C@H]([NH3+])C(=O)N1[C@H](C)CC[C@H]1C ZINC000261530276 135157752 /nfs/dbraw/zinc/15/77/52/135157752.db2.gz CECGHIQFMLBRLT-HLTSFMKQSA-N 1 0 200.282 0.360 10 0 BCAERO CO[C@H](C)CNC(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000261531713 135160789 /nfs/dbraw/zinc/16/07/89/135160789.db2.gz HQBOPINPMCNZLZ-UTLUCORTSA-N 1 0 214.309 0.655 10 0 BCAERO CC(C)NC(=O)[C@H]([NH3+])C1CCOCC1 ZINC000261532037 135161654 /nfs/dbraw/zinc/16/16/54/135161654.db2.gz IVMGOXQBBHFBTN-SECBINFHSA-N 1 0 200.282 0.265 10 0 BCAERO CCOc1cc(NC[C@H](C)[NH2+]C)ncn1 ZINC000261532015 135162075 /nfs/dbraw/zinc/16/20/75/135162075.db2.gz ITNRJPJLWHDRDB-QMMMGPOBSA-N 1 0 210.281 0.895 10 0 BCAERO O=C(NC[C@H]1CC[NH2+]C1)[C@H]1CCCS1 ZINC000087654737 135162164 /nfs/dbraw/zinc/16/21/64/135162164.db2.gz NETCVGIFOGDXHM-DTWKUNHWSA-N 1 0 214.334 0.608 10 0 BCAERO O=C(CC[C@H]1CCCO1)NC[C@H]1CC[NH2+]C1 ZINC000087655029 135162174 /nfs/dbraw/zinc/16/21/74/135162174.db2.gz WAPWQILTYGOXSD-WDEREUQCSA-N 1 0 226.320 0.671 10 0 BCAERO CCOC(=O)CN1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261532807 135163078 /nfs/dbraw/zinc/16/30/78/135163078.db2.gz KFWHREVUEYZEQP-AEJSXWLSSA-N 1 0 212.293 0.219 10 0 BCAERO C[C@@H]1CN(Cc2noc(CN)n2)C[C@H](C)O1 ZINC000261532986 135164450 /nfs/dbraw/zinc/16/44/50/135164450.db2.gz FIXLHLZHJOOTQH-OCAPTIKFSA-N 1 0 226.280 0.138 10 0 BCAERO CC[C@]1(C)CCN(C(=O)[C@H]([NH3+])COC)C1 ZINC000261533472 135165141 /nfs/dbraw/zinc/16/51/41/135165141.db2.gz BBUKVMHBLBKARF-MWLCHTKSSA-N 1 0 214.309 0.609 10 0 BCAERO CC[C@]1(C)CCN(C(=O)[C@@H]([NH3+])COC)C1 ZINC000261533470 135165152 /nfs/dbraw/zinc/16/51/52/135165152.db2.gz BBUKVMHBLBKARF-GXSJLCMTSA-N 1 0 214.309 0.609 10 0 BCAERO COc1ncc(Cl)c(N2C[C@@H](C)[C@H]([NH3+])C2)n1 ZINC000261534477 135166700 /nfs/dbraw/zinc/16/67/00/135166700.db2.gz QZWHOSMIZROIGW-HTRCEHHLSA-N 1 0 242.710 0.922 10 0 BCAERO CCC[C@](C)([NH3+])C(=O)NC1=NCCS1 ZINC000261534564 135168054 /nfs/dbraw/zinc/16/80/54/135168054.db2.gz MOTYBZJAWCLQDK-VIFPVBQESA-N 1 0 215.322 0.723 10 0 BCAERO Cc1cc(C(=O)NC[C@@H]2CC[NH2+]C2)nn1C ZINC000261535285 135169588 /nfs/dbraw/zinc/16/95/88/135169588.db2.gz XWPKQNRQYIUXHY-SECBINFHSA-N 1 0 222.292 0.068 10 0 BCAERO CCN(C(=O)COC1C[NH2+]C1)C(C)C ZINC000261536470 135172108 /nfs/dbraw/zinc/17/21/08/135172108.db2.gz RVRXCNGODYKUIO-UHFFFAOYSA-N 1 0 200.282 0.232 10 0 BCAERO Cc1cnn(CCN2CCC[C@H]2C[NH3+])c1 ZINC000261536508 135172467 /nfs/dbraw/zinc/17/24/67/135172467.db2.gz RZKMPGKZPVGRQA-NSHDSACASA-N 1 0 208.309 0.615 10 0 BCAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000261536929 135172692 /nfs/dbraw/zinc/17/26/92/135172692.db2.gz UHBJYYRHVSAHEY-NZFPMDFQSA-N 1 0 208.305 0.981 10 0 BCAERO COc1ncc(Cl)c(N2CC[NH2+]C[C@@H]2C)n1 ZINC000087799157 135173581 /nfs/dbraw/zinc/17/35/81/135173581.db2.gz JDGOYSWJNZDGSO-ZETCQYMHSA-N 1 0 242.710 0.937 10 0 BCAERO C[C@H]1CN(S(=O)(=O)CCC2CC2)C[C@@H]1[NH3+] ZINC000261537863 135174454 /nfs/dbraw/zinc/17/44/54/135174454.db2.gz WMKDSMVQXHPRQI-WPRPVWTQSA-N 1 0 232.349 0.395 10 0 BCAERO COC(=O)CCN1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000261538408 135176374 /nfs/dbraw/zinc/17/63/74/135176374.db2.gz XZHHFNYJYAONFU-ZJUUUORDSA-N 1 0 214.309 0.609 10 0 BCAERO COC[C@H]([NH3+])C(=O)N1CC[C@@H](C)[C@H]1C ZINC000261538702 135176598 /nfs/dbraw/zinc/17/65/98/135176598.db2.gz YZNRXRHCFZWQDH-HLTSFMKQSA-N 1 0 200.282 0.217 10 0 BCAERO Cc1c[nH]cc1C(=O)NC[C@H]1CC[NH2+]C1 ZINC000261539437 135178027 /nfs/dbraw/zinc/17/80/27/135178027.db2.gz CLIGWLDZZKIUGR-VIFPVBQESA-N 1 0 207.277 0.662 10 0 BCAERO CC[NH2+][C@H](C)CNC(=O)[C@@H]1C[C@@H]1OCC ZINC000261539842 135178861 /nfs/dbraw/zinc/17/88/61/135178861.db2.gz DFQKQJZLPNUELV-BBBLOLIVSA-N 1 0 214.309 0.526 10 0 BCAERO COc1c(CN2C[C@@H](C)[C@H]([NH3+])C2)c(C)nn1C ZINC000261542214 135182469 /nfs/dbraw/zinc/18/24/69/135182469.db2.gz NUCPULIXEYCBOX-LDYMZIIASA-N 1 0 238.335 0.516 10 0 BCAERO COC(=O)[C@H](C)N(C)C[C@]1(C)CC[NH2+]C1 ZINC000261542067 135182683 /nfs/dbraw/zinc/18/26/83/135182683.db2.gz GLXBNXJRZPXXGD-GXSJLCMTSA-N 1 0 214.309 0.479 10 0 BCAERO Cc1cc(C(=O)N[C@@H]2CCC[C@@H]2C[NH3+])nn1C ZINC000261542878 135183188 /nfs/dbraw/zinc/18/31/88/135183188.db2.gz RFDDOYMTMGMAIQ-NXEZZACHSA-N 1 0 236.319 0.586 10 0 BCAERO CCCCN(CCOC)C(=O)C1C[NH2+]C1 ZINC000261542655 135183465 /nfs/dbraw/zinc/18/34/65/135183465.db2.gz HBJFUOXMTBSYMD-UHFFFAOYSA-N 1 0 214.309 0.481 10 0 BCAERO C[C@@H]1CN(C(=O)[C@H]2C[C@H]2C2CC2)CC[NH2+]1 ZINC000261548311 135186498 /nfs/dbraw/zinc/18/64/98/135186498.db2.gz NJBBLZDSMKVZPM-MIMYLULJSA-N 1 0 208.305 0.853 10 0 BCAERO C[NH2+][C@@H](C)CNC(=O)CCOCC1CC1 ZINC000261545200 135187103 /nfs/dbraw/zinc/18/71/03/135187103.db2.gz JPEQTJNWNLQHIE-VIFPVBQESA-N 1 0 214.309 0.527 10 0 BCAERO CN(C(=O)[C@@H]1C[C@@H]1C1CC1)[C@H]1CC[NH2+]C1 ZINC000261548644 135187439 /nfs/dbraw/zinc/18/74/39/135187439.db2.gz NSTGRYMOCVWPBR-HBNTYKKESA-N 1 0 208.305 0.853 10 0 BCAERO C[C@@H]1[C@H]([NH3+])CCN1CC(=O)N1CCCC[C@@H]1C ZINC000261548918 135187932 /nfs/dbraw/zinc/18/79/32/135187932.db2.gz JZDFKKGZJAXKIF-QJPTWQEYSA-N 1 0 239.363 0.809 10 0 BCAERO O=C(NC[C@H]1CCCC[C@@H]1O)[C@H]1CC[NH2+]1 ZINC000261548828 135187959 /nfs/dbraw/zinc/18/79/59/135187959.db2.gz NYGWLFQUUSQPTI-BBBLOLIVSA-N 1 0 212.293 0.016 10 0 BCAERO CC[C@@H]1CCC[C@H]1NC(=O)[C@H]([NH3+])COC ZINC000261552370 135191233 /nfs/dbraw/zinc/19/12/33/135191233.db2.gz RFZLKXMYUKUGLD-OPRDCNLKSA-N 1 0 214.309 0.655 10 0 BCAERO COC[C@@]1(CNc2ncc(F)cn2)CCC[NH2+]1 ZINC000261552586 135191581 /nfs/dbraw/zinc/19/15/81/135191581.db2.gz NCZLIAIFEXHSIV-NSHDSACASA-N 1 0 240.282 0.796 10 0 BCAERO Cc1nc(CNC[C@H]2C[NH2+]C[C@@H]2O)cs1 ZINC000261553704 135192535 /nfs/dbraw/zinc/19/25/35/135192535.db2.gz SRCCLXYKTUDNFA-WPRPVWTQSA-N 1 0 227.333 0.121 10 0 BCAERO O=C(NC[C@@H]1CCC[C@H]1O)C1CC[NH2+]CC1 ZINC000084238833 135194327 /nfs/dbraw/zinc/19/43/27/135194327.db2.gz UQYSLEZWEIRWNZ-WDEREUQCSA-N 1 0 226.320 0.263 10 0 BCAERO O=C(COCC1CC1)NC[C@@H]1CC[NH2+]C1 ZINC000261555438 135195083 /nfs/dbraw/zinc/19/50/83/135195083.db2.gz UXZYMBJUTHJFJF-SNVBAGLBSA-N 1 0 212.293 0.139 10 0 BCAERO O=C(NC[C@H]1CC[NH2+]C1)[C@@H]1CSCCS1 ZINC000261555719 135195128 /nfs/dbraw/zinc/19/51/28/135195128.db2.gz VDTOFTNYVHZTDK-IUCAKERBSA-N 1 0 246.401 0.561 10 0 BCAERO [NH3+][C@@H]1CC[C@@H]2CN(Cc3nnnn3C3CC3)C[C@@H]12 ZINC000261555356 135195706 /nfs/dbraw/zinc/19/57/06/135195706.db2.gz BKCJUIYCWXWEKI-FBIMIBRVSA-N 1 0 248.334 0.177 10 0 BCAERO CN(C)C(=O)CCNC(=O)CC[C@H]1CCC[NH2+]1 ZINC000261557172 135197970 /nfs/dbraw/zinc/19/79/70/135197970.db2.gz RLGLMLBDMITGKM-SNVBAGLBSA-N 1 0 241.335 0.113 10 0 BCAERO C[N@H+](C[C@H]1CCC[NH2+]C1)CC1(CO)CC1 ZINC000261557219 135198087 /nfs/dbraw/zinc/19/80/87/135198087.db2.gz XBMPKKFVDYCMMW-NSHDSACASA-N 1 0 212.337 0.690 10 0 BCAERO C[C@H]1[NH2+]CCC[C@@H]1NS(=O)(=O)CCC1CC1 ZINC000261560579 135200925 /nfs/dbraw/zinc/20/09/25/135200925.db2.gz ABTBQYOHXFMZBR-KOLCDFICSA-N 1 0 246.376 0.846 10 0 BCAERO C[C@@H]1[NH2+]CCC[C@H]1NS(=O)(=O)CCC1CC1 ZINC000261560578 135201178 /nfs/dbraw/zinc/20/11/78/135201178.db2.gz ABTBQYOHXFMZBR-GXSJLCMTSA-N 1 0 246.376 0.846 10 0 BCAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)C[C@H]1CCCCO1 ZINC000261561161 135201832 /nfs/dbraw/zinc/20/18/32/135201832.db2.gz AKLNHWRJKSDXDK-MXWKQRLJSA-N 1 0 226.320 0.894 10 0 BCAERO Cc1nccc(N2CC[C@H]3C[NH2+]C[C@@H]3C2)n1 ZINC000261561147 135202254 /nfs/dbraw/zinc/20/22/54/135202254.db2.gz AJZSYSGNHQGHFP-WDEREUQCSA-N 1 0 218.304 0.831 10 0 BCAERO [NH3+]CCNC(=O)[C@@H]1CCc2ccccc21 ZINC000261561808 135202451 /nfs/dbraw/zinc/20/24/51/135202451.db2.gz AVZQLUNOPYFTBD-LLVKDONJSA-N 1 0 204.273 0.791 10 0 BCAERO CCCNC(=O)[C@@H](C)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261562321 135203545 /nfs/dbraw/zinc/20/35/45/135203545.db2.gz WFCZDPQBAMDUQK-GHMZBOCLSA-N 1 0 241.379 0.960 10 0 BCAERO C[C@H]1COCCN1C(=O)CC[C@@H]1CCC[NH2+]1 ZINC000261562433 135204011 /nfs/dbraw/zinc/20/40/11/135204011.db2.gz BHFTZDBMQVJTSX-QWRGUYRKSA-N 1 0 226.320 0.766 10 0 BCAERO Cc1nn(C)cc1C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261563440 135205001 /nfs/dbraw/zinc/20/50/01/135205001.db2.gz GWJVESPKJBGHSC-GHMZBOCLSA-N 1 0 248.330 0.410 10 0 BCAERO Cc1nccc(N2CC[C@H]3[NH2+]CC[C@@H]3C2)n1 ZINC000261564174 135205768 /nfs/dbraw/zinc/20/57/68/135205768.db2.gz CIWINPDUORGCJQ-GHMZBOCLSA-N 1 0 218.304 0.973 10 0 BCAERO COC[C@@]1(CNc2ncccn2)CCC[NH2+]1 ZINC000261564404 135205801 /nfs/dbraw/zinc/20/58/01/135205801.db2.gz CMGDVEPZQAYFHY-NSHDSACASA-N 1 0 222.292 0.657 10 0 BCAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)c1ccc2c(c1)OCO2 ZINC000261565101 135206668 /nfs/dbraw/zinc/20/66/68/135206668.db2.gz HOIIWBKPMQMLMY-SCZZXKLOSA-N 1 0 248.282 0.977 10 0 BCAERO Cc1cc(C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)n(C)n1 ZINC000261565991 135208091 /nfs/dbraw/zinc/20/80/91/135208091.db2.gz HZQVMYOFVIKBRF-HBNTYKKESA-N 1 0 248.330 0.538 10 0 BCAERO Cc1cnc(C(=O)N2CC[C@@H]([NH3+])C(C)(C)C2)cn1 ZINC000261566943 135208664 /nfs/dbraw/zinc/20/86/64/135208664.db2.gz IITFYSOVOBDWEQ-LLVKDONJSA-N 1 0 248.330 0.984 10 0 BCAERO C[C@H]1CCN(c2ncnc3nc[nH]c32)C[C@@H]1C[NH3+] ZINC000163990770 135209866 /nfs/dbraw/zinc/20/98/66/135209866.db2.gz GZYWSCVAKQPVPE-IUCAKERBSA-N 1 0 246.318 0.774 10 0 BCAERO O=C(CC[C@H]1CCC[NH2+]1)N[C@H]1CCCOC1 ZINC000261571230 135212891 /nfs/dbraw/zinc/21/28/91/135212891.db2.gz HJFAFMCEOFEATR-MNOVXSKESA-N 1 0 226.320 0.814 10 0 BCAERO O=C(NCC1CCSCC1)C1C[NH2+]C1 ZINC000164142509 135214918 /nfs/dbraw/zinc/21/49/18/135214918.db2.gz ODLHHDKPUORTNN-UHFFFAOYSA-N 1 0 214.334 0.465 10 0 BCAERO Cc1cnc(N2CC[C@H]3[NH2+]CC[C@@H]3C2)nc1 ZINC000261574588 135216163 /nfs/dbraw/zinc/21/61/63/135216163.db2.gz JIODNNMDJDVJMO-GHMZBOCLSA-N 1 0 218.304 0.973 10 0 BCAERO Cc1c[nH]cc1C(=O)N1CCC[C@H]1C[NH3+] ZINC000261575752 135216489 /nfs/dbraw/zinc/21/64/89/135216489.db2.gz JVKMBEITRIQJEC-VIFPVBQESA-N 1 0 207.277 0.886 10 0 BCAERO COCC[NH2+]CCNc1nc(C)cc(OC)n1 ZINC000164227886 135217128 /nfs/dbraw/zinc/21/71/28/135217128.db2.gz HBRQYWSOLOJOPD-UHFFFAOYSA-N 1 0 240.307 0.442 10 0 BCAERO Cc1nc(C)c(C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)o1 ZINC000261578409 135219228 /nfs/dbraw/zinc/21/92/28/135219228.db2.gz OXRQCMLXNPOARV-GHMZBOCLSA-N 1 0 249.314 0.973 10 0 BCAERO CCCNC(=O)CN1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261581220 135221689 /nfs/dbraw/zinc/22/16/89/135221689.db2.gz NJVYPVWISAVCBG-JTQLQIEISA-N 1 0 227.352 0.572 10 0 BCAERO CNC(=O)c1ccc(N2CC[C@@](C)(C[NH3+])C2)nn1 ZINC000261580784 135221813 /nfs/dbraw/zinc/22/18/13/135221813.db2.gz QFRLRTNWNBIVKO-LBPRGKRZSA-N 1 0 249.318 0.011 10 0 BCAERO O=C([C@H]1CCCO1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261580641 135221918 /nfs/dbraw/zinc/22/19/18/135221918.db2.gz NAFSJRIJAQNAIW-HBNTYKKESA-N 1 0 224.304 0.376 10 0 BCAERO C[C@@H]([NH3+])CN1CCC[C@](O)(C(F)(F)F)C1 ZINC000261583376 135224258 /nfs/dbraw/zinc/22/42/58/135224258.db2.gz OYRODCHDQZRWJD-HTQZYQBOSA-N 1 0 226.242 0.723 10 0 BCAERO CCC[C@](C)([NH3+])C(=O)N[C@H](C)[C@H](CO)SC ZINC000261583375 135224552 /nfs/dbraw/zinc/22/45/52/135224552.db2.gz OYRAMJIFKJNVRT-YWVKMMECSA-N 1 0 248.392 0.733 10 0 BCAERO [NH3+]C[C@@H]1CCCN1C(=O)C1CC(F)(F)C1 ZINC000261584890 135225852 /nfs/dbraw/zinc/22/58/52/135225852.db2.gz QDMBZXGFHZIDHB-QMMMGPOBSA-N 1 0 218.247 0.981 10 0 BCAERO C[C@H]1CN(S(=O)(=O)CCC2CCC2)C[C@H]1[NH3+] ZINC000261588836 135229512 /nfs/dbraw/zinc/22/95/12/135229512.db2.gz SPWLNNKZZVXRLW-GXSJLCMTSA-N 1 0 246.376 0.785 10 0 BCAERO [NH3+][C@H](C(=O)NCC1CC1)C1CCOCC1 ZINC000261592069 135232677 /nfs/dbraw/zinc/23/26/77/135232677.db2.gz VSWGUMSOEXOFMB-JTQLQIEISA-N 1 0 212.293 0.267 10 0 BCAERO [NH3+]CCN1CCO[C@@H](c2nccs2)C1 ZINC000261592846 135233865 /nfs/dbraw/zinc/23/38/65/135233865.db2.gz WFKIJIXGGNCCRR-MRVPVSSYSA-N 1 0 213.306 0.475 10 0 BCAERO CO[C@H](C[NH3+])C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000261599706 135238077 /nfs/dbraw/zinc/23/80/77/135238077.db2.gz ZYECEPDPVWDTDQ-UKKRHICBSA-N 1 0 228.336 0.901 10 0 BCAERO CO[C@@H]1CCCC[C@@H]1NC(=O)C1C[NH2+]C1 ZINC000261546389 135238316 /nfs/dbraw/zinc/23/83/16/135238316.db2.gz KZWCKBCOWQISSA-VHSXEESVSA-N 1 0 212.293 0.280 10 0 BCAERO C[NH2+][C@@H](C)CNC(=O)CC[C@H]1CCOC1 ZINC000261546354 135238516 /nfs/dbraw/zinc/23/85/16/135238516.db2.gz KWRKLKMEHUEYGN-UWVGGRQHSA-N 1 0 214.309 0.527 10 0 BCAERO Cc1ncoc1C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261546255 135238859 /nfs/dbraw/zinc/23/88/59/135238859.db2.gz GTRIUNUMWYLWHL-LPEHRKFASA-N 1 0 235.287 0.792 10 0 BCAERO Cn1nccc1C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261548222 135241556 /nfs/dbraw/zinc/24/15/56/135241556.db2.gz JCWFNBCRPSTQBI-GUBZILKMSA-N 1 0 234.303 0.229 10 0 BCAERO C[C@]1(C[NH3+])CCN([C@H]2CCN(C3CC3)C2=O)C1 ZINC000261656330 135243444 /nfs/dbraw/zinc/24/34/44/135243444.db2.gz HTVNFDHBRONIJU-WCQYABFASA-N 1 0 237.347 0.420 10 0 BCAERO [NH3+][C@@H](C(=O)N[C@@H]1CCCOC1)C1CCOCC1 ZINC000261655490 135243620 /nfs/dbraw/zinc/24/36/20/135243620.db2.gz FJAARVRCKPBYOD-GHMZBOCLSA-N 1 0 242.319 0.036 10 0 BCAERO C[NH2+][C@@H](C)CNC(=O)CCn1cc(C)cn1 ZINC000261675101 135245213 /nfs/dbraw/zinc/24/52/13/135245213.db2.gz HDQAWMRKDXPCRF-JTQLQIEISA-N 1 0 224.308 0.306 10 0 BCAERO C[NH2+][C@@H](C)CNC(=O)CNC(=O)CC(C)(C)C ZINC000261684840 135245662 /nfs/dbraw/zinc/24/56/62/135245662.db2.gz HYKPYAUKZFZKJS-VIFPVBQESA-N 1 0 243.351 0.263 10 0 BCAERO O=C(C1C[NH2+]C1)N1CCCSCC1 ZINC000084411111 135246808 /nfs/dbraw/zinc/24/68/08/135246808.db2.gz JHJUELRFXQLAJA-UHFFFAOYSA-N 1 0 200.307 0.171 10 0 BCAERO C[C@]1(CNC(=O)[C@@H]2CCC[C@@H]2C[NH3+])CCOC1 ZINC000261700096 135246877 /nfs/dbraw/zinc/24/68/77/135246877.db2.gz IIAMXLUHBSOXEP-NQBHXWOUSA-N 1 0 240.347 0.904 10 0 BCAERO C[C@H]([NH3+])CC(=O)N1CCC[C@H](n2cccn2)C1 ZINC000261697473 135247096 /nfs/dbraw/zinc/24/70/96/135247096.db2.gz CJRLXMWFQYHHNS-QWRGUYRKSA-N 1 0 236.319 0.784 10 0 BCAERO C[NH2+][C@@H](C)CNC(=O)c1csc2cncn21 ZINC000261714070 135247673 /nfs/dbraw/zinc/24/76/73/135247673.db2.gz KFTQKTCAYDNCBX-ZETCQYMHSA-N 1 0 238.316 0.734 10 0 BCAERO COC(=O)[C@@H](C)CN1CCC[C@H]([NH+](C)C)C1 ZINC000084420173 135251408 /nfs/dbraw/zinc/25/14/08/135251408.db2.gz QANHCWYLZNMBBC-QWRGUYRKSA-N 1 0 228.336 0.822 10 0 BCAERO C[C@@H]1CCN(C(=O)[C@@H]([NH3+])C2CCOCC2)[C@H]1C ZINC000261836053 135255884 /nfs/dbraw/zinc/25/58/84/135255884.db2.gz QHSXGHZOACWZCI-SCVCMEIPSA-N 1 0 240.347 0.997 10 0 BCAERO C[NH2+][C@@H](C)CNC(=O)CCOC[C@H]1CCCO1 ZINC000261844921 135256872 /nfs/dbraw/zinc/25/68/72/135256872.db2.gz WUHAVXAHXFOWRT-WDEREUQCSA-N 1 0 244.335 0.296 10 0 BCAERO C[C@@H]1COC[C@@H](C)N1C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261875609 135258706 /nfs/dbraw/zinc/25/87/06/135258706.db2.gz YJEMAZAKXOEIFF-DDHJBXDOSA-N 1 0 240.347 0.997 10 0 BCAERO C[C@@H]1CCCN(C(=O)[C@@H]([NH3+])C2CCOCC2)C1 ZINC000261881028 135260287 /nfs/dbraw/zinc/26/02/87/135260287.db2.gz UPRGPJDILDHBLU-PWSUYJOCSA-N 1 0 240.347 0.999 10 0 BCAERO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1CCOCCO ZINC000084439292 135260301 /nfs/dbraw/zinc/26/03/01/135260301.db2.gz CSGWWTQVGVIEQU-QWHCGFSZSA-N 1 0 242.363 0.554 10 0 BCAERO C[C@H]([NH3+])CC(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000261904304 135261998 /nfs/dbraw/zinc/26/19/98/135261998.db2.gz VLFRMQQBTJYCSN-VIFPVBQESA-N 1 0 236.319 0.853 10 0 BCAERO C[C@@H]1[C@H](C)OCCN1C(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000261919220 135262545 /nfs/dbraw/zinc/26/25/45/135262545.db2.gz YKZGLJQNDSGQDE-YTWAJWBKSA-N 1 0 242.319 0.129 10 0 BCAERO C[C@@H]1OCCN(C(=O)[C@@H]2CC[C@H](C[NH3+])O2)[C@H]1C ZINC000261919217 135262604 /nfs/dbraw/zinc/26/26/04/135262604.db2.gz YKZGLJQNDSGQDE-MMWGEVLESA-N 1 0 242.319 0.129 10 0 BCAERO C[C@H]1CCN(C(=O)C2(C[NH3+])CCOCC2)[C@H]1C ZINC000261955631 135266398 /nfs/dbraw/zinc/26/63/98/135266398.db2.gz OVJWTDVIGFJJEC-QWRGUYRKSA-N 1 0 240.347 0.999 10 0 BCAERO Cn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)NCC2CC2)cn1 ZINC000261981498 135268795 /nfs/dbraw/zinc/26/87/95/135268795.db2.gz RSTXTVOJDZEEIW-NEPJUHHUSA-N 1 0 248.330 0.249 10 0 BCAERO CCn1c(C)nnc1CN1CCC[C@H]1C[NH3+] ZINC000261983256 135269583 /nfs/dbraw/zinc/26/95/83/135269583.db2.gz IYAKEYCJBACAEN-JTQLQIEISA-N 1 0 223.324 0.530 10 0 BCAERO C[C@@H]1c2nncn2CCN1C[C@H]1CCC[NH2+]C1 ZINC000262003757 135271478 /nfs/dbraw/zinc/27/14/78/135271478.db2.gz UJLYZWSLPYZXGB-MNOVXSKESA-N 1 0 235.335 0.654 10 0 BCAERO COC(=O)[C@@H](NC[C@H]1CCC[NH2+]C1)C1CC1 ZINC000262010974 135272167 /nfs/dbraw/zinc/27/21/67/135272167.db2.gz VAQYMIFNUGYSDR-ONGXEEELSA-N 1 0 226.320 0.527 10 0 BCAERO C[C@H]1CCCN1C(=O)[C@@H]([NH3+])C1CCOCC1 ZINC000262013445 135272334 /nfs/dbraw/zinc/27/23/34/135272334.db2.gz OGDGRUAGJRHEFF-ONGXEEELSA-N 1 0 226.320 0.751 10 0 BCAERO C[C@@H]1C[C@H]1CNC(=O)[C@H]1NCCO[C@@H]1C ZINC000262052705 135273053 /nfs/dbraw/zinc/27/30/53/135273053.db2.gz ZVGWSAHYRXVYPC-IMSYWVGJSA-N 1 0 212.293 0.136 10 0 BCAERO CCO[C@H](C)C(=O)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000262026283 135274169 /nfs/dbraw/zinc/27/41/69/135274169.db2.gz PBLMSDVZAVTQEE-NXEZZACHSA-N 1 0 228.336 0.997 10 0 BCAERO CCC(CC)(NC(=O)[C@H](C)C1C[NH2+]C1)C(N)=O ZINC000262049952 135275710 /nfs/dbraw/zinc/27/57/10/135275710.db2.gz HGHNQSCYPDDLSM-MRVPVSSYSA-N 1 0 241.335 0.002 10 0 BCAERO C([C@@H]1CCC[NH2+]C1)N1CCN2CCOC[C@H]2C1 ZINC000262043093 135275952 /nfs/dbraw/zinc/27/59/52/135275952.db2.gz YPPYIQCWGOVHOB-CHWSQXEVSA-N 1 0 239.363 0.002 10 0 BCAERO O=C(CC1CCCCC1)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000262066880 135276915 /nfs/dbraw/zinc/27/69/15/135276915.db2.gz BGUGIPVIONLGMM-NWDGAFQWSA-N 1 0 240.347 0.653 10 0 BCAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)c1cccc(F)c1 ZINC000262076872 135277391 /nfs/dbraw/zinc/27/73/91/135277391.db2.gz CDDADWFBCGLYLI-ONGXEEELSA-N 1 0 238.262 0.136 10 0 BCAERO O=C(CCc1ccccc1)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000262087711 135277749 /nfs/dbraw/zinc/27/77/49/135277749.db2.gz CULDXMYTLUZGLE-QWHCGFSZSA-N 1 0 248.326 0.316 10 0 BCAERO CCO[C@@H]1C[C@H]1C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000262082161 135278211 /nfs/dbraw/zinc/27/82/11/135278211.db2.gz TWQHXFJGDGRTON-FOGDFJRCSA-N 1 0 226.320 0.609 10 0 BCAERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000262092792 135278447 /nfs/dbraw/zinc/27/84/47/135278447.db2.gz DEVWMACWKQBHNB-PREPNJAASA-N 1 0 238.331 0.119 10 0 BCAERO CC(=O)NCc1nc(-c2ccc(C[NH3+])cc2)no1 ZINC000262117346 135279460 /nfs/dbraw/zinc/27/94/60/135279460.db2.gz WYLVWYPOQFATNW-UHFFFAOYSA-N 1 0 246.270 0.831 10 0 BCAERO C[C@@H]1CN(Cc2ccnc(N(C)C)n2)[C@@H](C)C[NH2+]1 ZINC000262122173 135280225 /nfs/dbraw/zinc/28/02/25/135280225.db2.gz XIZJUBXSVJWXTO-MNOVXSKESA-N 1 0 249.362 0.725 10 0 BCAERO C[C@@H]1CCC[C@H]1NC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000262133902 135280247 /nfs/dbraw/zinc/28/02/47/135280247.db2.gz OIQHWHQHDMAGAF-ZYUZMQFOSA-N 1 0 212.293 0.014 10 0 BCAERO C[C@H]1CCN(C(=O)[C@H]2C[C@H](F)C[NH2+]2)C1 ZINC000262138561 135281092 /nfs/dbraw/zinc/28/10/92/135281092.db2.gz PFOWNGJOVMYFRL-XHNCKOQMSA-N 1 0 200.257 0.555 10 0 BCAERO Cc1cc(CNC[C@H]2C[NH2+]C[C@H]2O)ccc1F ZINC000262143627 135281279 /nfs/dbraw/zinc/28/12/79/135281279.db2.gz PYZLNLAJWQRINO-WCQYABFASA-N 1 0 238.306 0.804 10 0 BCAERO Cc1cccc(C(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)c1C ZINC000262140410 135281467 /nfs/dbraw/zinc/28/14/67/135281467.db2.gz HCVUUZSYGAGJOL-AAEUAGOBSA-N 1 0 248.326 0.614 10 0 BCAERO Cc1ccccc1CC(=O)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000262144480 135281471 /nfs/dbraw/zinc/28/14/71/135281471.db2.gz HJSLSKMEYZTDIB-STQMWFEESA-N 1 0 248.326 0.234 10 0 BCAERO [NH3+][C@H](C(=O)NC[C@@H]1CCCO1)C1CCOCC1 ZINC000262168545 135283495 /nfs/dbraw/zinc/28/34/95/135283495.db2.gz YLFDHPBHVUGDMM-QWRGUYRKSA-N 1 0 242.319 0.036 10 0 BCAERO C[C@@H]1CCC[C@H]1NC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000262187323 135284498 /nfs/dbraw/zinc/28/44/98/135284498.db2.gz XSOMWLGQAZEHGM-UTINFBMNSA-N 1 0 214.284 0.991 10 0 BCAERO O=C(NC[C@H]1C[NH2+]C[C@H]1O)c1ccccc1F ZINC000262215459 135285295 /nfs/dbraw/zinc/28/52/95/135285295.db2.gz JCBGKKRWMONWJC-LDYMZIIASA-N 1 0 238.262 0.136 10 0 BCAERO COc1cc(CNC(=O)C2C[NH2+]C2)ccc1C ZINC000262197314 135285567 /nfs/dbraw/zinc/28/55/67/135285567.db2.gz GTJSGXRMBYHVBI-UHFFFAOYSA-N 1 0 234.299 0.839 10 0 BCAERO COC[C@H]([NH3+])C(=O)Nc1nnc(C(C)C)s1 ZINC000262231775 135285897 /nfs/dbraw/zinc/28/58/97/135285897.db2.gz GWPQIQDIKGFFQL-LURJTMIESA-N 1 0 244.320 0.574 10 0 BCAERO CCOC[C@H]1CCCN(C(=O)[C@@H]([NH3+])COC)C1 ZINC000262228700 135285927 /nfs/dbraw/zinc/28/59/27/135285927.db2.gz GNZDYRWUPLSCFF-QWRGUYRKSA-N 1 0 244.335 0.235 10 0 BCAERO CCOC[C@H]1CCCN(C(=O)[C@H]([NH3+])COC)C1 ZINC000262228701 135286675 /nfs/dbraw/zinc/28/66/75/135286675.db2.gz GNZDYRWUPLSCFF-WDEREUQCSA-N 1 0 244.335 0.235 10 0 BCAERO COC[C@H]([NH3+])C(=O)N1C[C@H](C)CCC[C@@H]1C ZINC000262247514 135287398 /nfs/dbraw/zinc/28/73/98/135287398.db2.gz IITLOOYJESNDEP-VWYCJHECSA-N 1 0 228.336 0.997 10 0 BCAERO C[NH2+]CC(=O)NC1(C(=O)OC)CCC(C)CC1 ZINC000262250696 135288219 /nfs/dbraw/zinc/28/82/19/135288219.db2.gz ZGBPSQGMHFXSJM-UHFFFAOYSA-N 1 0 242.319 0.444 10 0 BCAERO COC[C@H]([NH3+])C(=O)N[C@@H]1CCCC[C@@H]1OC ZINC000262261803 135288287 /nfs/dbraw/zinc/28/82/87/135288287.db2.gz JMSGKMIBXWUGII-AEJSXWLSSA-N 1 0 230.308 0.034 10 0 BCAERO Cc1ccc(C(=O)NC[C@@H]2C[NH2+]C[C@H]2O)c(C)n1 ZINC000262273244 135288818 /nfs/dbraw/zinc/28/88/18/135288818.db2.gz NEIKQEQXZBSXDY-CMPLNLGQSA-N 1 0 249.314 0.009 10 0 BCAERO COC[C@H]([NH3+])C(=O)N[C@H]1CCO[C@H](C(C)C)C1 ZINC000262289149 135290335 /nfs/dbraw/zinc/29/03/35/135290335.db2.gz MSVHIABQUVZMTR-DCAQKATOSA-N 1 0 244.335 0.280 10 0 BCAERO O=C(CN[C@H]1CC[NH2+]C1)NCCc1ccccc1 ZINC000262208733 135290450 /nfs/dbraw/zinc/29/04/50/135290450.db2.gz SUTFQLFBFLXFEU-ZDUSSCGKSA-N 1 0 247.342 0.297 10 0 BCAERO CO[C@@]1(C)C[C@@H](NC(=O)C2C[NH2+]C2)C1(C)C ZINC000262289506 135290784 /nfs/dbraw/zinc/29/07/84/135290784.db2.gz XJQAAUZOMNQBBX-SKDRFNHKSA-N 1 0 226.320 0.526 10 0 BCAERO Cc1ccc(C(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)c(C)c1 ZINC000262294536 135291723 /nfs/dbraw/zinc/29/17/23/135291723.db2.gz OXVZMXJYZTXQNI-AAEUAGOBSA-N 1 0 248.326 0.614 10 0 BCAERO COC[C@H]([NH3+])C(=O)Nc1ccc(N(C)C)cn1 ZINC000262301466 135291739 /nfs/dbraw/zinc/29/17/39/135291739.db2.gz NYOQNBFUTPVXOX-VIFPVBQESA-N 1 0 238.291 0.060 10 0 BCAERO CC[C@H]1CN(C(=O)[C@H]2CC[NH2+][C@@H](C)C2)C[C@H]1O ZINC000262328795 135293203 /nfs/dbraw/zinc/29/32/03/135293203.db2.gz DRLSJTHMGXHHBX-FIQHERPVSA-N 1 0 240.347 0.604 10 0 BCAERO CC(C)(C)SCC(=O)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262339003 135294141 /nfs/dbraw/zinc/29/41/41/135294141.db2.gz SXSADSOBJOSUTM-BDAKNGLRSA-N 1 0 246.376 0.215 10 0 BCAERO COC[C@@H]([NH3+])C(=O)NC[C@@H]1CCc2ccccc21 ZINC000262349158 135294466 /nfs/dbraw/zinc/29/44/66/135294466.db2.gz UGZPJDPOHJEPKD-WCQYABFASA-N 1 0 248.326 0.806 10 0 BCAERO Cc1cscc1C(=O)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262348150 135294904 /nfs/dbraw/zinc/29/49/04/135294904.db2.gz UGNIRHTUOWASLU-SCZZXKLOSA-N 1 0 240.328 0.367 10 0 BCAERO COCCC1(CNC(=O)[C@H]([NH3+])COC)CCC1 ZINC000262403156 135295264 /nfs/dbraw/zinc/29/52/64/135295264.db2.gz ZYUSXVRAJQTNQP-SNVBAGLBSA-N 1 0 244.335 0.283 10 0 BCAERO Cc1cc(C)cc(C(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)c1 ZINC000262419689 135296416 /nfs/dbraw/zinc/29/64/16/135296416.db2.gz ZZRSMNDYSSUASP-STQMWFEESA-N 1 0 248.326 0.614 10 0 BCAERO O=C(CCC1CCC1)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000262360548 135297164 /nfs/dbraw/zinc/29/71/64/135297164.db2.gz VDQRUMYNCQNFAO-QWRGUYRKSA-N 1 0 226.320 0.263 10 0 BCAERO C[C@@H](NC(=O)[C@H]1CC[NH2+][C@@H](C)C1)[C@H](C)CO ZINC000262384519 135298597 /nfs/dbraw/zinc/29/85/97/135298597.db2.gz LYCWTILHAMOMKB-YTWAJWBKSA-N 1 0 228.336 0.508 10 0 BCAERO Cc1cc(C)c(C(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)o1 ZINC000262389500 135299035 /nfs/dbraw/zinc/29/90/35/135299035.db2.gz XUBQAFSFFLJSBF-UWVGGRQHSA-N 1 0 238.287 0.207 10 0 BCAERO CC(C)[C@H]1OCC[C@@H]1CNC(=O)CCC[NH3+] ZINC000262443723 135299711 /nfs/dbraw/zinc/29/97/11/135299711.db2.gz BSTFEWNRLIBQDG-ZYHUDNBSSA-N 1 0 228.336 0.903 10 0 BCAERO CCC[C@](C)([NH3+])C(=O)N1C[C@@H](CC)[C@H](O)C1 ZINC000262569604 135306449 /nfs/dbraw/zinc/30/64/49/135306449.db2.gz MNPNTZKHVMFQJS-FOGDFJRCSA-N 1 0 228.336 0.733 10 0 BCAERO CCC[C@H]([NH3+])C(=O)NC[C@H](C)CC(=O)OCC ZINC000262596080 135307718 /nfs/dbraw/zinc/30/77/18/135307718.db2.gz WRUSJMOPRZJCDB-ZJUUUORDSA-N 1 0 244.335 0.819 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)NC[C@@H](C)CC(=O)OCC ZINC000262596079 135307909 /nfs/dbraw/zinc/30/79/09/135307909.db2.gz WRUSJMOPRZJCDB-VHSXEESVSA-N 1 0 244.335 0.819 10 0 BCAERO Cc1ccc([C@@](C)(O)CNC2=[NH+]CCCN2)o1 ZINC000262630386 135309421 /nfs/dbraw/zinc/30/94/21/135309421.db2.gz FFMMBSWEIQOYLC-LBPRGKRZSA-N 1 0 237.303 0.734 10 0 BCAERO CCN(C[C@H]1CCCO1)C(=O)[C@@H](C)C1C[NH2+]C1 ZINC000164445846 135312707 /nfs/dbraw/zinc/31/27/07/135312707.db2.gz LFAHLLHEFDKFRI-CMPLNLGQSA-N 1 0 240.347 0.869 10 0 BCAERO Cc1nnc2c(N[C@H]3CCC[NH2+]C3)nccn12 ZINC000079471448 135322265 /nfs/dbraw/zinc/32/22/65/135322265.db2.gz MYQCEIUQLNNEHJ-VIFPVBQESA-N 1 0 232.291 0.597 10 0 BCAERO C[C@H](Nc1nccn2cnnc12)[C@H]1CCC[NH2+]C1 ZINC000079471125 135322562 /nfs/dbraw/zinc/32/25/62/135322562.db2.gz FOLVALADMVNSKM-UWVGGRQHSA-N 1 0 246.318 0.924 10 0 BCAERO [NH3+]CCN1CCC(c2ccnn2CCO)CC1 ZINC000262914517 135324375 /nfs/dbraw/zinc/32/43/75/135324375.db2.gz GDZNVQJTRQXNQR-UHFFFAOYSA-N 1 0 238.335 0.014 10 0 BCAERO O=C(NCc1nccs1)[C@@H]1CC(F)(F)CN1 ZINC000262981201 135325701 /nfs/dbraw/zinc/32/57/01/135325701.db2.gz MSLYTNYALZVCGK-LURJTMIESA-N 1 0 247.270 0.757 10 0 BCAERO Cc1ncccc1CNC[C@@H]1C[NH2+]C[C@@H]1O ZINC000263122461 135333851 /nfs/dbraw/zinc/33/38/51/135333851.db2.gz BAXVIHSFZMBHDC-NEPJUHHUSA-N 1 0 221.304 0.060 10 0 BCAERO CSCCc1nc([C@H]2C[NH2+]CCN2C)no1 ZINC000263129351 135334854 /nfs/dbraw/zinc/33/48/54/135334854.db2.gz BMGOGMHIBLTIRK-MRVPVSSYSA-N 1 0 242.348 0.551 10 0 BCAERO Cc1ccc(CNC[C@H]2C[NH2+]C[C@@H]2O)nc1 ZINC000263166171 135336106 /nfs/dbraw/zinc/33/61/06/135336106.db2.gz FFQXTXHPBNOWQO-JQWIXIFHSA-N 1 0 221.304 0.060 10 0 BCAERO O[C@@H]1C[NH2+]C[C@@H]1CNCc1cccc2c1NCC2 ZINC000263217826 135340208 /nfs/dbraw/zinc/34/02/08/135340208.db2.gz LEJWPZJSPAHLBD-QWHCGFSZSA-N 1 0 247.342 0.325 10 0 BCAERO CN1CC[NH2+]C[C@@H]1c1noc([C@H]2CCCO2)n1 ZINC000263231558 135340629 /nfs/dbraw/zinc/34/06/29/135340629.db2.gz NLJDUHHTDRRKTD-RKDXNWHRSA-N 1 0 238.291 0.497 10 0 BCAERO O=C(NC[C@H](O)c1ccccc1F)C1C[NH2+]C1 ZINC000263236783 135341758 /nfs/dbraw/zinc/34/17/58/135341758.db2.gz BRTOAWLEUYYZRY-NSHDSACASA-N 1 0 238.262 0.195 10 0 BCAERO O[C@@H]1C[NH2+]C[C@@H]1CNC/C=C/c1ccccc1 ZINC000263242350 135342019 /nfs/dbraw/zinc/34/20/19/135342019.db2.gz OTRXARVXCOVGFO-QFVHEQCKSA-N 1 0 232.327 0.870 10 0 BCAERO CC[C@H](NC(=O)C1C[NH2+]C1)c1ccncc1 ZINC000263247706 135342484 /nfs/dbraw/zinc/34/24/84/135342484.db2.gz DHZXZRIZWQTFFK-NSHDSACASA-N 1 0 219.288 0.868 10 0 BCAERO Cc1ocnc1-c1nc([C@@H]2C[NH2+]CCN2C)no1 ZINC000263259607 135342542 /nfs/dbraw/zinc/34/25/42/135342542.db2.gz QTGNGLTTYDUQGS-QMMMGPOBSA-N 1 0 249.274 0.609 10 0 BCAERO COC[C@@H]([NH3+])C(=O)Nc1ccc(C)cc1O ZINC000263254729 135342978 /nfs/dbraw/zinc/34/29/78/135342978.db2.gz QDOYDMFPXGSZOU-MRVPVSSYSA-N 1 0 224.260 0.613 10 0 BCAERO COc1ccc(CNC[C@H]2C[NH2+]C[C@H]2O)cc1 ZINC000263264734 135343400 /nfs/dbraw/zinc/34/34/00/135343400.db2.gz RKVQCSWSRZWVLF-WCQYABFASA-N 1 0 236.315 0.365 10 0 BCAERO Cc1c[nH]cc1-c1nc([C@H]2C[NH2+]CCN2C)no1 ZINC000263265661 135343474 /nfs/dbraw/zinc/34/34/74/135343474.db2.gz RNLHWKJSVZCCHI-SNVBAGLBSA-N 1 0 247.302 0.949 10 0 BCAERO Cc1cc(-c2nc([C@H]3C[NH2+]CCN3C)no2)n[nH]1 ZINC000263276859 135343525 /nfs/dbraw/zinc/34/35/25/135343525.db2.gz SYQCLPKUDUDNDR-SECBINFHSA-N 1 0 248.290 0.344 10 0 BCAERO CC(C)C[C@@H]1C[C@@H](NC(=O)C2C[NH2+]C2)CCO1 ZINC000263286669 135344533 /nfs/dbraw/zinc/34/45/33/135344533.db2.gz KSUYANXHJLHUDW-NWDGAFQWSA-N 1 0 240.347 0.916 10 0 BCAERO CC(C)n1cc(CNC[C@H]2C[NH2+]C[C@@H]2O)cn1 ZINC000263312596 135345646 /nfs/dbraw/zinc/34/56/46/135345646.db2.gz YZHBQUIHZPGWES-RYUDHWBXSA-N 1 0 238.335 0.134 10 0 BCAERO O[C@H]1C[NH2+]C[C@H]1CNCc1cc(F)cc(F)c1 ZINC000263315480 135345699 /nfs/dbraw/zinc/34/56/99/135345699.db2.gz ZJIMBJDLRBYXNE-SKDRFNHKSA-N 1 0 242.269 0.635 10 0 BCAERO O=C(NC[C@H](O)c1cccc(F)c1)C1C[NH2+]C1 ZINC000263308045 135345895 /nfs/dbraw/zinc/34/58/95/135345895.db2.gz OTRQBBTXMZDSFO-NSHDSACASA-N 1 0 238.262 0.195 10 0 BCAERO CC(C)[C@@H](O)C1(CNC(=O)C2C[NH2+]C2)CC1 ZINC000263336432 135347402 /nfs/dbraw/zinc/34/74/02/135347402.db2.gz WIQXIFZASOHCFQ-SNVBAGLBSA-N 1 0 226.320 0.119 10 0 BCAERO C[C@H](CNC(=O)C1C[NH2+]C1)N(C)c1ccccc1 ZINC000263333182 135347576 /nfs/dbraw/zinc/34/75/76/135347576.db2.gz VNNPNJBIMKYIFC-LLVKDONJSA-N 1 0 247.342 0.847 10 0 BCAERO CC(C)[C@H]1OCC[C@H]1CNC(=O)C1C[NH2+]C1 ZINC000263348270 135348125 /nfs/dbraw/zinc/34/81/25/135348125.db2.gz ZUXZBKICCFDUMD-GXSJLCMTSA-N 1 0 226.320 0.383 10 0 BCAERO CC[N@H+](CC(=O)[O-])C1CC([NH2+]C(C)C)C1 ZINC000263528259 135358220 /nfs/dbraw/zinc/35/82/20/135358220.db2.gz VCUDIGGYIXDSKJ-UHFFFAOYSA-N 1 0 214.309 0.922 10 0 BCAERO C[C@H]1CCCN(c2nccn3cnnc23)[C@@H]1C[NH3+] ZINC000079471604 135397614 /nfs/dbraw/zinc/39/76/14/135397614.db2.gz FCWIFARMWFSTJJ-VHSXEESVSA-N 1 0 246.318 0.688 10 0 BCAERO C[C@@H]1[C@@H]([NH3+])CCN1Cc1c(Cl)cnn1C ZINC000334592215 135401566 /nfs/dbraw/zinc/40/15/66/135401566.db2.gz GLSRANJVKDHDLI-APPZFPTMSA-N 1 0 228.727 0.995 10 0 BCAERO C[C@@H]([NH3+])[C@H](C)C(=O)N1CCO[C@H](C)C1 ZINC000164951605 135452780 /nfs/dbraw/zinc/45/27/80/135452780.db2.gz KIGHRWMSEVNWSP-HRDYMLBCSA-N 1 0 200.282 0.217 10 0 BCAERO [NH3+][C@H]1CC[C@@H](C(=O)NCCn2ccnc2)C1 ZINC000085011999 135478249 /nfs/dbraw/zinc/47/82/49/135478249.db2.gz ZAQNCFYKYCNTDL-ZJUUUORDSA-N 1 0 222.292 0.127 10 0 BCAERO Cc1ccc(C(=O)NC2C[NH2+]C2)c(C)n1 ZINC000085255934 135481348 /nfs/dbraw/zinc/48/13/48/135481348.db2.gz QRNYEHZVNZOGMY-UHFFFAOYSA-N 1 0 205.261 0.400 10 0 BCAERO CCNC(=O)CN(CC)C(=O)[C@H]1CCC[C@H]1[NH3+] ZINC000085366911 135483098 /nfs/dbraw/zinc/48/30/98/135483098.db2.gz PQMVAJPQOYNRQX-VHSXEESVSA-N 1 0 241.335 0.098 10 0 BCAERO CCn1cc(NC(=O)[C@H]2CCC[C@@H]2[NH3+])ccc1=O ZINC000085365671 135483106 /nfs/dbraw/zinc/48/31/06/135483106.db2.gz VMBKPLUUCMSDNP-QWRGUYRKSA-N 1 0 249.314 0.934 10 0 BCAERO COCC1CCN(C(=O)[C@H]2CCC[C@@H]2[NH3+])CC1 ZINC000085375860 135483612 /nfs/dbraw/zinc/48/36/12/135483612.db2.gz SAHSQYLSCHYZAG-RYUDHWBXSA-N 1 0 240.347 0.999 10 0 BCAERO NC(=O)c1ccc(N[C@@H]2CCC[C@@H]2C[NH3+])nc1 ZINC000089105781 135529845 /nfs/dbraw/zinc/52/98/45/135529845.db2.gz XRTVULNVXOFMJC-PSASIEDQSA-N 1 0 234.303 0.720 10 0 BCAERO C[C@H]1CN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])[C@@H](C)CO1 ZINC000089450763 135535611 /nfs/dbraw/zinc/53/56/11/135535611.db2.gz XTSFAFRLFUJMIC-NNYUYHANSA-N 1 0 240.347 0.997 10 0 BCAERO Cc1ccc(C[NH2+]C[C@@H]2CN(C)CCO2)cn1 ZINC000092055867 135571713 /nfs/dbraw/zinc/57/17/13/135571713.db2.gz HKDAKNUFDFGPEH-CYBMUJFWSA-N 1 0 235.331 0.810 10 0 BCAERO CC(C)C[C@@H](C[NH3+])Nc1ccc(C(N)=O)nn1 ZINC000095013236 135623570 /nfs/dbraw/zinc/62/35/70/135623570.db2.gz YAADZDJONFOLIT-QMMMGPOBSA-N 1 0 237.307 0.361 10 0 BCAERO CO[C@@H](C[NH3+])CC(=O)NCCCOCC(C)C ZINC000232111902 135649569 /nfs/dbraw/zinc/64/95/69/135649569.db2.gz CISUTBVOQGFEGT-LLVKDONJSA-N 1 0 246.351 0.529 10 0 BCAERO C[NH+](C)[C@H]1CC[C@@H](NS(=O)(=O)C2(C)CC2)C1 ZINC000334818424 135832013 /nfs/dbraw/zinc/83/20/13/135832013.db2.gz LPENSUVFCQIMIB-ZJUUUORDSA-N 1 0 246.376 0.941 10 0 BCAERO COC(=O)[C@@H](C)C[N@H+](C)CC1(O)CCC1 ZINC000348317413 136068506 /nfs/dbraw/zinc/06/85/06/136068506.db2.gz IQQVCTOVWNTXRB-VIFPVBQESA-N 1 0 215.293 0.642 10 0 BCAERO Cc1ccncc1C(=O)N1C[C@H]([NH3+])[C@@H](C)C1 ZINC000335378066 136086386 /nfs/dbraw/zinc/08/63/86/136086386.db2.gz BRCIUMVTDNJDBU-ONGXEEELSA-N 1 0 219.288 0.809 10 0 BCAERO CC(=O)c1cc(C(=O)N2C[C@H](C)[C@H]([NH3+])C2)n(C)c1 ZINC000335378593 136086399 /nfs/dbraw/zinc/08/63/99/136086399.db2.gz DJJGILSFUBDPIG-GZMMTYOYSA-N 1 0 249.314 0.647 10 0 BCAERO CCc1noc(C)c1C(=O)N1C[C@H]([NH3+])[C@@H](C)C1 ZINC000335379295 136086698 /nfs/dbraw/zinc/08/66/98/136086698.db2.gz INCADWUIOGSWDZ-CBAPKCEASA-N 1 0 237.303 0.965 10 0 BCAERO CCCNC(=O)C[NH2+]C[C@H](C)COC ZINC000045696570 322844653 /nfs/dbraw/zinc/84/46/53/322844653.db2.gz DFQMSKGBLDOKFC-VIFPVBQESA-N 1 0 202.298 0.385 10 0 BCAERO COC(=O)[C@H](C)NC(=O)C[C@H]1CCC[NH2+]C1 ZINC000054307258 322855988 /nfs/dbraw/zinc/85/59/88/322855988.db2.gz RWYIEBRRYYIZMD-DTWKUNHWSA-N 1 0 228.292 0.054 10 0 BCAERO CCOCCN1CC[N@H+](CCCO)C[C@@H]1C ZINC000105914124 397786521 /nfs/dbraw/zinc/78/65/21/397786521.db2.gz CCXSDBIGGDUAJW-LBPRGKRZSA-N 1 0 230.352 0.411 10 0 BCAERO CC[C@H]1CN(CC(=O)OC)CC[N@@H+]1CCOC ZINC000105914665 397786696 /nfs/dbraw/zinc/78/66/96/397786696.db2.gz BOCLGPFJYYVUIV-NSHDSACASA-N 1 0 244.335 0.202 10 0 BCAERO O=C(N[C@H]1CCCOC1)[C@@H]1C[NH2+]CCC1(F)F ZINC000643993081 397744654 /nfs/dbraw/zinc/74/46/54/397744654.db2.gz JCIZLJKTCUQMEQ-IUCAKERBSA-N 1 0 248.273 0.526 10 0 BCAERO CC[C@](C)(O)C[N@H+](C)CCOCCOC ZINC000336712881 397847765 /nfs/dbraw/zinc/84/77/65/397847765.db2.gz VGAUYQIYZXGAJY-NSHDSACASA-N 1 0 219.325 0.742 10 0 BCAERO CN1CCC[C@H]1C[N@@H+]1C[C@H](O)C(C)(C)C1 ZINC000387886612 397864672 /nfs/dbraw/zinc/86/46/72/397864672.db2.gz QIAKHTINVWGWRD-QWRGUYRKSA-N 1 0 212.337 0.783 10 0 BCAERO O=S1(=O)CC[C@H]([NH2+][C@H]2C=CCC2)C1 ZINC000575462109 397943121 /nfs/dbraw/zinc/94/31/21/397943121.db2.gz KNRRKKWGEMBPEO-IUCAKERBSA-N 1 0 201.291 0.482 10 0 BCAERO [NH3+][C@@H]1CCO[C@H]1[C@H](O)c1ccns1 ZINC000575463707 397946976 /nfs/dbraw/zinc/94/69/76/397946976.db2.gz QUTNVQCBGYRGAC-LPBLVHEISA-N 1 0 200.263 0.293 10 0 BCAERO COC(=O)[C@@H]([NH3+])[C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000259501226 397901542 /nfs/dbraw/zinc/90/15/42/397901542.db2.gz ATTLKRBHQFKKPL-KDXUFGMBSA-N 1 0 201.266 0.690 10 0 BCAERO [NH3+]CCN1C[C@H](CCO)Nc2ccccc21 ZINC000616683888 397925790 /nfs/dbraw/zinc/92/57/90/397925790.db2.gz JLSVTQZVUFBGQZ-JTQLQIEISA-N 1 0 221.304 0.628 10 0 BCAERO [NH3+]C[C@@]1(N2C(=O)c3ccccc3C2=O)CCOC1 ZINC000307155585 397989776 /nfs/dbraw/zinc/98/97/76/397989776.db2.gz MMEOTKFMSSZBRP-ZDUSSCGKSA-N 1 0 246.266 0.400 10 0 BCAERO C/C(=C\Cl)C[N@@H+]1CC[C@H](O)[C@H](CO)C1 ZINC000307175486 398004835 /nfs/dbraw/zinc/00/48/35/398004835.db2.gz SHSPCIIISMZNDP-DQRKKKBRSA-N 1 0 219.712 0.804 10 0 BCAERO C/C(=C\Cl)C[N@@H+]1CC[C@H](O)[C@@H](CO)C1 ZINC000307175488 398005028 /nfs/dbraw/zinc/00/50/28/398005028.db2.gz SHSPCIIISMZNDP-PIOFTHJTSA-N 1 0 219.712 0.804 10 0 BCAERO CCCCOC[C@H](O)C[NH2+]C1COCCOC1 ZINC000383900311 398047776 /nfs/dbraw/zinc/04/77/76/398047776.db2.gz WMMVCRULVQOOOB-GFCCVEGCSA-N 1 0 247.335 0.169 10 0 BCAERO C[NH2+][C@H](C)C(=O)Nc1ccc(OC)c(O)c1 ZINC000054074126 398024789 /nfs/dbraw/zinc/02/47/89/398024789.db2.gz RMMKEESJDWQBOS-SSDOTTSWSA-N 1 0 224.260 0.947 10 0 BCAERO COC[C@@]1(C(=O)N2CC[C@H](C)C2)CCC[NH2+]1 ZINC000643657428 398038111 /nfs/dbraw/zinc/03/81/11/398038111.db2.gz RHXUEGKHJUJUCU-CMPLNLGQSA-N 1 0 226.320 0.623 10 0 BCAERO C[C@@]1(C(=O)NCC[C@@H]2CCCO2)C[NH2+]CCO1 ZINC000637901919 398038974 /nfs/dbraw/zinc/03/89/74/398038974.db2.gz JCCGRKAGCBSXEA-JQWIXIFHSA-N 1 0 242.319 0.050 10 0 BCAERO CC[C@@H](CNC(=O)OC(C)(C)C)[NH2+]CCN ZINC000307079278 397976860 /nfs/dbraw/zinc/97/68/60/397976860.db2.gz NONDAWYBBQOBMO-VIFPVBQESA-N 1 0 231.340 0.838 10 0 BCAERO O[C@@H](c1cnsc1)[C@H]1C[NH2+]CCS1 ZINC000575466995 397988333 /nfs/dbraw/zinc/98/83/33/397988333.db2.gz AELGUOHNVUAQCK-SFYZADRCSA-N 1 0 216.331 0.882 10 0 BCAERO C[C@@H]1C[C@H](NC(=O)[C@H]2CCC[NH2+]C2)[C@@H](C)O1 ZINC000384518238 398093515 /nfs/dbraw/zinc/09/35/15/398093515.db2.gz AOUAYNKBLDTZKM-ZNSHCXBVSA-N 1 0 226.320 0.668 10 0 BCAERO CC[NH2+][C@H](C)C(=O)N1CCN2CCCC[C@H]2C1 ZINC000638088097 398071394 /nfs/dbraw/zinc/07/13/94/398071394.db2.gz YUZAZWQQMLVGEJ-NEPJUHHUSA-N 1 0 239.363 0.681 10 0 BCAERO [NH3+][C@H]1CCN(c2nccn3cccc23)C1 ZINC000213694818 398071685 /nfs/dbraw/zinc/07/16/85/398071685.db2.gz QJAWHSQGWANHCM-VIFPVBQESA-N 1 0 202.261 0.872 10 0 BCAERO CCC[C@H](NC(=O)[C@@H]1CCC[NH2+][C@@H]1C)C(N)=O ZINC000384488090 398093620 /nfs/dbraw/zinc/09/36/20/398093620.db2.gz RWYDQZBFOWSJEG-BBBLOLIVSA-N 1 0 241.335 0.145 10 0 BCAERO C/C=C/CN1CCSC[C@@H]1C(N)=O ZINC000307317210 398077203 /nfs/dbraw/zinc/07/72/03/398077203.db2.gz OGUWGJBSYWHUAA-UFUPEUMYSA-N 1 0 200.307 0.465 10 0 BCAERO O[C@@H]1COCC[C@@H]1[NH2+]Cc1ccns1 ZINC000630073347 398094374 /nfs/dbraw/zinc/09/43/74/398094374.db2.gz DPMIHIYAFHJVJY-DTWKUNHWSA-N 1 0 214.290 0.383 10 0 BCAERO CO[C@H](C)CC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000116785459 398090395 /nfs/dbraw/zinc/09/03/95/398090395.db2.gz ZUQCGCYCJNQESU-GHMZBOCLSA-N 1 0 244.335 0.200 10 0 BCAERO c1ccc(NCCCN2CC[NH2+]CC2)nc1 ZINC000035307759 398091887 /nfs/dbraw/zinc/09/18/87/398091887.db2.gz DLCBLUITADBIRR-UHFFFAOYSA-N 1 0 220.320 0.789 10 0 BCAERO C[C@@H]1C[C@H](NC(=O)[C@H]2CC[NH2+]C2)[C@@H](C)O1 ZINC000384602753 398099574 /nfs/dbraw/zinc/09/95/74/398099574.db2.gz NXXBRRKNAURMDU-IMSYWVGJSA-N 1 0 212.293 0.278 10 0 BCAERO CCC[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O ZINC000306431765 398110851 /nfs/dbraw/zinc/11/08/51/398110851.db2.gz UQGVXNABKACSFU-ZJUUUORDSA-N 1 0 244.335 0.966 10 0 BCAERO CNC(=O)C[NH2+][C@@H]1CCCCC[C@H]1O ZINC000037886446 173278279 /nfs/dbraw/zinc/27/82/79/173278279.db2.gz RHBBVSCINCMWSA-RKDXNWHRSA-N 1 0 200.282 0.016 10 0 BCAERO CC(C)[NH2+]CC(=O)N1CCCC[C@@H]1CO ZINC000037477179 167094846 /nfs/dbraw/zinc/09/48/46/167094846.db2.gz ZSXSLXTYIGZAFN-SNVBAGLBSA-N 1 0 214.309 0.358 10 0 BCAERO CC(C)[NH2+]CC(=O)N1CCOC[C@H]1C ZINC000037477157 167098167 /nfs/dbraw/zinc/09/81/67/167098167.db2.gz OUBGDNPDUMSITI-SECBINFHSA-N 1 0 200.282 0.232 10 0 BCAERO CC(C)[NH2+]CCC(=O)N1CCC(O)CC1 ZINC000037480094 167100696 /nfs/dbraw/zinc/10/06/96/167100696.db2.gz VLWVLYVTCBWEDR-UHFFFAOYSA-N 1 0 214.309 0.358 10 0 BCAERO CC(C)(C)CNC(=O)NC[C@H]1CC[NH2+]C1 ZINC000258334528 322875350 /nfs/dbraw/zinc/87/53/50/322875350.db2.gz YVFNTJFIYAAFTG-VIFPVBQESA-N 1 0 213.325 0.941 10 0 BCAERO CC(C)[NH2+]C[C@H](O)COc1cccnc1 ZINC000167787376 167114827 /nfs/dbraw/zinc/11/48/27/167114827.db2.gz SJAATJATLORBGX-JTQLQIEISA-N 1 0 210.277 0.819 10 0 BCAERO CC(C)[NH2+]C[C@H](O)CN(C)Cc1nccn1C ZINC000062250142 167115433 /nfs/dbraw/zinc/11/54/33/167115433.db2.gz WLHCLIJRYSBZNW-NSHDSACASA-N 1 0 240.351 0.211 10 0 BCAERO C[C@@H](C1CC1)N(C)C(=O)C1([NH3+])CCOCC1 ZINC000149657781 487560945 /nfs/dbraw/zinc/56/09/45/487560945.db2.gz CFVMPZSIYHHKDN-VIFPVBQESA-N 1 0 226.320 0.751 10 0 BCAERO C[C@@H](OC[C@@H]1CC[NH2+]C1)C(=O)N(C)C ZINC000051888141 176002924 /nfs/dbraw/zinc/00/29/24/176002924.db2.gz MEOZCGQSUIZDEQ-RKDXNWHRSA-N 1 0 200.282 0.089 10 0 BCAERO CC(C)OC(=O)CN1CC[NH2+]C[C@H]1C ZINC000054373332 167160453 /nfs/dbraw/zinc/16/04/53/167160453.db2.gz FXXYQAMTZFBOMY-SECBINFHSA-N 1 0 200.282 0.232 10 0 BCAERO CC(C)OCC(=O)N1C[C@@H](C)[C@H]([NH+](C)C)C1 ZINC000122666460 167183387 /nfs/dbraw/zinc/18/33/87/167183387.db2.gz IBNRQFUAXODOCW-GHMZBOCLSA-N 1 0 228.336 0.820 10 0 BCAERO COC(=O)CC[N@@H+]1CCC[C@@H]1CCCO ZINC000052760835 487570025 /nfs/dbraw/zinc/57/00/25/487570025.db2.gz ITIVEUYMGSXVSW-SNVBAGLBSA-N 1 0 215.293 0.786 10 0 BCAERO C[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H](O)C(C)(C)C ZINC000324321297 487574352 /nfs/dbraw/zinc/57/43/52/487574352.db2.gz HTTYLGMPSMWYMT-GUBZILKMSA-N 1 0 228.336 0.508 10 0 BCAERO COC[C@H](C)C(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000246169481 487575517 /nfs/dbraw/zinc/57/55/17/487575517.db2.gz AYKKNFWHBDYZDY-GUBZILKMSA-N 1 0 214.309 0.513 10 0 BCAERO OC[C@@H](O)C[NH2+]Cc1ccnc2ccccc12 ZINC000090282459 322901459 /nfs/dbraw/zinc/90/14/59/322901459.db2.gz LGFONCMQAWYGCU-NSHDSACASA-N 1 0 232.283 0.678 10 0 BCAERO CC(C)OCCC[NH2+]CCn1cnccc1=O ZINC000104273058 167220641 /nfs/dbraw/zinc/22/06/41/167220641.db2.gz RIXMTKYRDOCUAF-UHFFFAOYSA-N 1 0 239.319 0.648 10 0 BCAERO C[C@@H]1C[C@H](O)C[N@@H+]1C[C@H]1CCC[C@@H](O)C1 ZINC000308914580 487581975 /nfs/dbraw/zinc/58/19/75/487581975.db2.gz NLHBHSFTVBNWKJ-KXNHARMFSA-N 1 0 213.321 0.993 10 0 BCAERO C[C@@H](NC(=O)[C@H]1CCC[NH2+]C1)c1nccn1C ZINC000082280845 487588976 /nfs/dbraw/zinc/58/89/76/487588976.db2.gz KRRCZPVAPGCGOU-ZJUUUORDSA-N 1 0 236.319 0.597 10 0 BCAERO O=C(CC1CCCC1)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000262227635 487601085 /nfs/dbraw/zinc/60/10/85/487601085.db2.gz KBOCQYAUGDGBGB-QWRGUYRKSA-N 1 0 226.320 0.263 10 0 BCAERO CC(C)S(=O)(=O)N1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040749852 167320053 /nfs/dbraw/zinc/32/00/53/167320053.db2.gz QDVRTGHLRNOUKG-PBINXNQUSA-N 1 0 232.349 0.679 10 0 BCAERO [NH3+]C1(CC(=O)NC[C@@H]2CCC[C@H]2O)CC1 ZINC000398116439 487605478 /nfs/dbraw/zinc/60/54/78/487605478.db2.gz PJDDHQLSVBSTEE-DTWKUNHWSA-N 1 0 212.293 0.145 10 0 BCAERO [NH3+]C1(CC(=O)NC[C@@H]2CCCC[C@@H]2O)CC1 ZINC000398188509 487607295 /nfs/dbraw/zinc/60/72/95/487607295.db2.gz VZWOBDZUAWHGII-UWVGGRQHSA-N 1 0 226.320 0.535 10 0 BCAERO C[C@H]1CN(C(=O)[C@H]2C[C@H]([NH3+])C2)C[C@H](C)O1 ZINC000662428512 409711341 /nfs/dbraw/zinc/71/13/41/409711341.db2.gz CPQNXZRWVVGVIN-XKNYDFJKSA-N 1 0 212.293 0.360 10 0 BCAERO C[C@@H](CNC(=O)[C@H]1CC[NH2+]C1)c1ccccn1 ZINC000662605619 409781450 /nfs/dbraw/zinc/78/14/50/409781450.db2.gz MJKMZRMXAWJSNB-QWRGUYRKSA-N 1 0 233.315 0.911 10 0 BCAERO CO[C@H]1C[C@@H](C(=O)NC2(C)CCC2)[N@H+](C)C1 ZINC000671529317 487611020 /nfs/dbraw/zinc/61/10/20/487611020.db2.gz WKBWDFUDGSVEEO-UWVGGRQHSA-N 1 0 226.320 0.764 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N1CCC[C@H](CCF)C1 ZINC000662687578 409833402 /nfs/dbraw/zinc/83/34/02/409833402.db2.gz HKAHMQRQLJCOAK-NXEZZACHSA-N 1 0 232.299 0.558 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N1CCC[C@@H](CCF)C1 ZINC000662687583 409834404 /nfs/dbraw/zinc/83/44/04/409834404.db2.gz HKAHMQRQLJCOAK-VHSXEESVSA-N 1 0 232.299 0.558 10 0 BCAERO [NH3+]CCCCC(=O)N[C@H]1CCCOC1 ZINC000069734398 409789035 /nfs/dbraw/zinc/78/90/35/409789035.db2.gz XUTZZEAGKXTMNK-VIFPVBQESA-N 1 0 200.282 0.411 10 0 BCAERO [NH3+][C@H]1CCC[C@@H](C(=O)Nc2cc[nH]n2)C1 ZINC000070502928 409801181 /nfs/dbraw/zinc/80/11/81/409801181.db2.gz ILTYJOSIGWOLPV-SFYZADRCSA-N 1 0 208.265 0.866 10 0 BCAERO Cn1cc([C@H]2CCCN2C(=O)[C@H]2C[C@H]([NH3+])C2)cn1 ZINC000662718424 409869344 /nfs/dbraw/zinc/86/93/44/409869344.db2.gz NXLDHBDBLXOFBU-YUSALJHKSA-N 1 0 248.330 0.821 10 0 BCAERO O=C(CC[C@H]1CCC[NH2+]1)N[C@@H](CO)C1CCC1 ZINC000662855149 409954374 /nfs/dbraw/zinc/95/43/74/409954374.db2.gz VVJABVGOBSXMBU-NEPJUHHUSA-N 1 0 240.347 0.796 10 0 BCAERO [NH3+][C@@H]1CCC[C@H](C(=O)NC/C=C/CO)C1 ZINC000662856306 409954850 /nfs/dbraw/zinc/95/48/50/409954850.db2.gz PXRFTKTXFSGEAT-YBNRLKPGSA-N 1 0 212.293 0.169 10 0 BCAERO OC[C@@H]1CC[N@H+](C[C@H]2CCC[C@H](O)C2)C1 ZINC000308947179 409967560 /nfs/dbraw/zinc/96/75/60/409967560.db2.gz WODPOURHVRNZRN-TUAOUCFPSA-N 1 0 213.321 0.852 10 0 BCAERO CO[C@H]1C[NH2+][C@@H](C(=O)NCC(C)(F)F)C1 ZINC000662898132 409969803 /nfs/dbraw/zinc/96/98/03/409969803.db2.gz KXBVFERVINNRCJ-RNFRBKRXSA-N 1 0 222.235 0.135 10 0 BCAERO O=C(N[C@H]1CC=CCC1)[C@@H]1C[NH2+]CCOC1 ZINC000653174484 410150227 /nfs/dbraw/zinc/15/02/27/410150227.db2.gz MIYGUBACIYPYAB-MNOVXSKESA-N 1 0 224.304 0.447 10 0 BCAERO C[NH2+]C[C@H](C)Nc1ncnc2onc(C)c21 ZINC000663278573 410092606 /nfs/dbraw/zinc/09/26/06/410092606.db2.gz KCMUWOBDBZMBQT-LURJTMIESA-N 1 0 221.264 0.946 10 0 BCAERO CCn1ccnc(N[C@H](C)C[NH2+]C)c1=O ZINC000663279100 410095005 /nfs/dbraw/zinc/09/50/05/410095005.db2.gz OWFCKZUSOUMTBC-MRVPVSSYSA-N 1 0 210.281 0.283 10 0 BCAERO C[NH2+]C[C@H](C)Nc1ncnc2nc[nH]c21 ZINC000663281047 410096400 /nfs/dbraw/zinc/09/64/00/410096400.db2.gz NZEADOMAWLBYCD-LURJTMIESA-N 1 0 206.253 0.373 10 0 BCAERO C[C@H]1SCC[C@H]1NC(=O)[C@@H]1CC[NH2+]C1 ZINC000653175054 410151525 /nfs/dbraw/zinc/15/15/25/410151525.db2.gz MPRLLFAJUPNJSG-IWSPIJDZSA-N 1 0 214.334 0.606 10 0 BCAERO C[C@H]1SCC[C@@H]1NC(=O)[C@@H]1CC[NH2+]C1 ZINC000653175052 410152831 /nfs/dbraw/zinc/15/28/31/410152831.db2.gz MPRLLFAJUPNJSG-HLTSFMKQSA-N 1 0 214.334 0.606 10 0 BCAERO Cc1nnsc1C(=O)N1CC[C@@H]([NH3+])[C@H]1C ZINC000309066468 410216801 /nfs/dbraw/zinc/21/68/01/410216801.db2.gz ZUBVCCYXEWHCCE-RNFRBKRXSA-N 1 0 226.305 0.408 10 0 BCAERO CC(C)C(=O)NCC[NH2+]C[C@H](O)C(C)(C)C ZINC000393217169 410312118 /nfs/dbraw/zinc/31/21/18/410312118.db2.gz LPBXUXPCZOSBIK-JTQLQIEISA-N 1 0 230.352 0.755 10 0 BCAERO CC(C)[C@@H]([NH3+])CC(=O)N1C[C@@H](C)OC[C@@H]1C ZINC000128923055 410365750 /nfs/dbraw/zinc/36/57/50/410365750.db2.gz IKJQYMFWJKUINT-AXFHLTTASA-N 1 0 228.336 0.996 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)N(C)C[C@@H]1CCCO1 ZINC000129001137 410365863 /nfs/dbraw/zinc/36/58/63/410365863.db2.gz SVEPXTQYLUJPLN-WDEREUQCSA-N 1 0 228.336 0.997 10 0 BCAERO C[C@@H](NCc1cn(C)nn1)[C@H]1CCC[NH2+]C1 ZINC000650759127 410406474 /nfs/dbraw/zinc/40/64/74/410406474.db2.gz DOCQETBPUBGNKS-ZJUUUORDSA-N 1 0 223.324 0.293 10 0 BCAERO c1cnc2nc(N[C@@H]3CC[NH2+]C3)ccc2n1 ZINC000087201106 487616519 /nfs/dbraw/zinc/61/65/19/487616519.db2.gz VPYRPOCENQLJIG-MRVPVSSYSA-N 1 0 215.260 0.799 10 0 BCAERO CCN(CC)C(=O)[C@@H]1C[C@@H](OC)C[NH2+]1 ZINC000040629365 169757138 /nfs/dbraw/zinc/75/71/38/169757138.db2.gz KHHOFVHVRRHZND-BDAKNGLRSA-N 1 0 200.282 0.232 10 0 BCAERO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1C(=O)NC[C@@H]1CC[NH2+]C1 ZINC000133687436 410538530 /nfs/dbraw/zinc/53/85/30/410538530.db2.gz WACAJZVKPOEWTE-PREPNJAASA-N 1 0 240.347 0.772 10 0 BCAERO CC(C)(C(=O)N1CC[NH2+]CC1)c1ccc(N)cc1 ZINC000082697453 166505238 /nfs/dbraw/zinc/50/52/38/166505238.db2.gz YBIOTOBYIVXWSG-UHFFFAOYSA-N 1 0 247.342 0.978 10 0 BCAERO CC(C)([NH3+])c1cn(CCCn2ccnc2)nn1 ZINC000070117838 410664705 /nfs/dbraw/zinc/66/47/05/410664705.db2.gz HGOFDGJHDXIEPX-UHFFFAOYSA-N 1 0 234.307 0.759 10 0 BCAERO Brc1ccc(NCC2C[NH2+]C2)nn1 ZINC000575469447 410640098 /nfs/dbraw/zinc/64/00/98/410640098.db2.gz LPQUEFZNIDZRDH-UHFFFAOYSA-N 1 0 243.108 0.870 10 0 BCAERO CC(C)(C)NS(=O)(=O)c1cc[nH+]c(NN)c1 ZINC000038008881 166638398 /nfs/dbraw/zinc/63/83/98/166638398.db2.gz AVQBUWNQKKNBHM-UHFFFAOYSA-N 1 0 244.320 0.444 10 0 BCAERO CC(C)(C)OC(=O)N1CC(=O)[C@]2(CC[NH2+]C2)C1 ZINC000082327719 166643701 /nfs/dbraw/zinc/64/37/01/166643701.db2.gz MZKKEGUXPONEDV-LBPRGKRZSA-N 1 0 240.303 0.786 10 0 BCAERO CC(C)(C)OC(=O)N1CC(=O)[C@@H](CC[NH3+])C1 ZINC000082350657 166643711 /nfs/dbraw/zinc/64/37/11/166643711.db2.gz MATOWAKAKQPZKR-QMMMGPOBSA-N 1 0 228.292 0.771 10 0 BCAERO CCc1nnsc1C(=O)N1CC[C@H]([NH3+])[C@H]1C ZINC000309271196 410700896 /nfs/dbraw/zinc/70/08/96/410700896.db2.gz GFTCNFOLURRQIM-RQJHMYQMSA-N 1 0 240.332 0.662 10 0 BCAERO CC(C)(C)[C@@H]([NH3+])Cn1nc2ccccn2c1=O ZINC000019396388 166695606 /nfs/dbraw/zinc/69/56/06/166695606.db2.gz JFFYUFHDERMILA-VIFPVBQESA-N 1 0 234.303 0.869 10 0 BCAERO CC(C)CCC[NH2+]C[C@H](O)CN1CCOCC1 ZINC000037984694 166813665 /nfs/dbraw/zinc/81/36/65/166813665.db2.gz RNIQRKKFVSCGAI-ZDUSSCGKSA-N 1 0 244.379 0.705 10 0 BCAERO COCC1(CNC(=O)C2([NH3+])CCOCC2)CC1 ZINC000655490135 410803836 /nfs/dbraw/zinc/80/38/36/410803836.db2.gz FOLQHWRGKVIDOS-UHFFFAOYSA-N 1 0 242.319 0.037 10 0 BCAERO COc1cc(C)nc(N(C)C2CC([NH3+])C2)n1 ZINC000395117711 410838227 /nfs/dbraw/zinc/83/82/27/410838227.db2.gz WAJWREPUWONRBQ-UHFFFAOYSA-N 1 0 222.292 0.720 10 0 BCAERO CC(C)[C@@H](CO)[NH2+]C[C@@H]1CCCN1C ZINC000395312737 410844351 /nfs/dbraw/zinc/84/43/51/410844351.db2.gz HNROTGCTNGBDQH-WDEREUQCSA-N 1 0 200.326 0.687 10 0 BCAERO CC(=O)NCCCNC(=O)C[C@@H]([NH3+])C(C)C ZINC000394797588 410820662 /nfs/dbraw/zinc/82/06/62/410820662.db2.gz KPGAHRLTTBZBMF-SNVBAGLBSA-N 1 0 229.324 0.002 10 0 BCAERO CC(C)C[NH2+]C1(CO)CCS(=O)(=O)CC1 ZINC000042333491 167003626 /nfs/dbraw/zinc/00/36/26/167003626.db2.gz NVFCWQQSRZCBQU-UHFFFAOYSA-N 1 0 235.349 0.172 10 0 BCAERO CC(C)C[NH2+][C@@H]1CC(=O)N(C(C)C)C1=O ZINC000102665234 167012365 /nfs/dbraw/zinc/01/23/65/167012365.db2.gz WTJMEPVIZPRYDC-SECBINFHSA-N 1 0 212.293 0.768 10 0 BCAERO CC(C)NC(=O)CN(C)CC[C@H]1CCCC[NH2+]1 ZINC000042607985 167049466 /nfs/dbraw/zinc/04/94/66/167049466.db2.gz QNKWFWFLEPDRDZ-GFCCVEGCSA-N 1 0 241.379 0.975 10 0 BCAERO CC(C)NC(=O)CN(C)c1ccc(C[NH3+])cn1 ZINC000042600167 167049929 /nfs/dbraw/zinc/04/99/29/167049929.db2.gz NYDOOZTWBUSERC-UHFFFAOYSA-N 1 0 236.319 0.501 10 0 BCAERO CC(C)NC(=O)C[N@@H+]1CCC[C@H](O)[C@H]1C ZINC000335595264 167050487 /nfs/dbraw/zinc/05/04/87/167050487.db2.gz ARKNDLMCIXPMPM-ZJUUUORDSA-N 1 0 214.309 0.356 10 0 BCAERO CC(C)NC(=O)CNC(=O)[C@H]1CCC[C@@H](C)[NH2+]1 ZINC000036782036 167056005 /nfs/dbraw/zinc/05/60/05/167056005.db2.gz XUALAWHWCIDLJA-NXEZZACHSA-N 1 0 241.335 0.158 10 0 BCAERO CC(C)NC(=O)CNC(=O)[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000036782050 167056593 /nfs/dbraw/zinc/05/65/93/167056593.db2.gz GKACGTIOZTUMDW-VHSXEESVSA-N 1 0 241.335 0.015 10 0 BCAERO CC(C)NC(=O)CNC(=O)[C@@H]1CCC[C@H](C)[NH2+]1 ZINC000036782039 167057149 /nfs/dbraw/zinc/05/71/49/167057149.db2.gz XUALAWHWCIDLJA-UWVGGRQHSA-N 1 0 241.335 0.158 10 0 BCAERO CC(C)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1O ZINC000037691532 167058859 /nfs/dbraw/zinc/05/88/59/167058859.db2.gz BDLXAKJXIVJCRD-NXEZZACHSA-N 1 0 214.309 0.404 10 0 BCAERO CC(C)NC(=O)C[NH2+]C[C@H](O)COC(C)(C)C ZINC000037892291 167058985 /nfs/dbraw/zinc/05/89/85/167058985.db2.gz BJDBIPHIBBXRPF-JTQLQIEISA-N 1 0 246.351 0.277 10 0 BCAERO CC(C)NC(=O)[C@@H](C)[NH2+][C@@H](C)CN1CCCC1 ZINC000049165083 167080250 /nfs/dbraw/zinc/08/02/50/167080250.db2.gz XLDBTKJRNJHTEF-NWDGAFQWSA-N 1 0 241.379 0.973 10 0 BCAERO CC(C)[NH2+]CC(=O)N[C@H]1CCC[C@@H](O)C1 ZINC000037477213 167096773 /nfs/dbraw/zinc/09/67/73/167096773.db2.gz KAXZREHAKRCUDX-VHSXEESVSA-N 1 0 214.309 0.404 10 0 BCAERO CC(C)[NH2+]CC(=O)N[C@@H]1CCC[C@H](O)C1 ZINC000037477210 167097058 /nfs/dbraw/zinc/09/70/58/167097058.db2.gz KAXZREHAKRCUDX-ZJUUUORDSA-N 1 0 214.309 0.404 10 0 BCAERO CC(C)[NH2+]CCCC(=O)NCCC(=O)N(C)C ZINC000037751323 167099519 /nfs/dbraw/zinc/09/95/19/167099519.db2.gz IVERRBLDNVSYAT-UHFFFAOYSA-N 1 0 243.351 0.359 10 0 BCAERO CC(C)[NH2+]CCCN1CCC(CC(N)=O)CC1 ZINC000042438698 167102148 /nfs/dbraw/zinc/10/21/48/167102148.db2.gz MQSWSKQVUHPTSF-UHFFFAOYSA-N 1 0 241.379 0.962 10 0 BCAERO CC(C)[NH2+]CCN(C)Cc1cnccn1 ZINC000163021709 167105196 /nfs/dbraw/zinc/10/51/96/167105196.db2.gz AKFDKAXUBUNHHW-UHFFFAOYSA-N 1 0 208.309 0.906 10 0 BCAERO CC(C)[NH2+]CCN1CCn2ccnc2C1 ZINC000062250757 167107338 /nfs/dbraw/zinc/10/73/38/167107338.db2.gz BEWNJIRBHOJRMG-UHFFFAOYSA-N 1 0 208.309 0.697 10 0 BCAERO CC(C)[NH2+]CCc1nnc2ncccn12 ZINC000037475064 167108213 /nfs/dbraw/zinc/10/82/13/167108213.db2.gz CPQQCYRROCXAMZ-UHFFFAOYSA-N 1 0 205.265 0.665 10 0 BCAERO CC(C)[NH2+]C[C@H](O)c1cc(=O)c(O)c[nH]1 ZINC000039097250 167114555 /nfs/dbraw/zinc/11/45/55/167114555.db2.gz HRYJAWPGIMUJGH-VIFPVBQESA-N 1 0 212.249 0.112 10 0 BCAERO CC(C)[NH2+][C@@H](C)C(=O)N1CCOCC1 ZINC000020299163 167130407 /nfs/dbraw/zinc/13/04/07/167130407.db2.gz MMCTZVDZQHNSQS-VIFPVBQESA-N 1 0 200.282 0.232 10 0 BCAERO CC(C)N[C@@H](C[N@H+](C)CC1CCCC1)C(N)=O ZINC000104358280 167132651 /nfs/dbraw/zinc/13/26/51/167132651.db2.gz LLTNXGABWWTLDK-LBPRGKRZSA-N 1 0 241.379 0.960 10 0 BCAERO CC(C)[NH2+][C@H](CCO)[C@H]1CCCCN1 ZINC000095088318 167138014 /nfs/dbraw/zinc/13/80/14/167138014.db2.gz UUASSAQXYVIEGB-GHMZBOCLSA-N 1 0 200.326 0.878 10 0 BCAERO CC(C)[NH2+][C@]1(C(N)=O)CCN(C2CC2)C1 ZINC000061991002 167142559 /nfs/dbraw/zinc/14/25/59/167142559.db2.gz VRAOSTAUBKPPIY-LLVKDONJSA-N 1 0 211.309 0.077 10 0 BCAERO CC(C)OCCCN1C[C@@H](C)O[C@@H](C[NH3+])C1 ZINC000071534946 167214926 /nfs/dbraw/zinc/21/49/26/167214926.db2.gz GVYQDEMPIMOBNA-NEPJUHHUSA-N 1 0 230.352 0.850 10 0 BCAERO CC(C)OCCCN1C[C@H](C[NH3+])OC1=O ZINC000019669006 167216102 /nfs/dbraw/zinc/21/61/02/167216102.db2.gz JYTULKQKFKNTBM-VIFPVBQESA-N 1 0 216.281 0.581 10 0 BCAERO CC(C)OC[C@H](C)[NH2+][C@@H]1CCCNC1=O ZINC000336749112 167265423 /nfs/dbraw/zinc/26/54/23/167265423.db2.gz DWFXYXUFYXGQCT-VHSXEESVSA-N 1 0 214.309 0.668 10 0 BCAERO CC(C)Oc1cccc(C(=O)N2CC[NH2+]CC2)n1 ZINC000236754190 167303550 /nfs/dbraw/zinc/30/35/50/167303550.db2.gz YXPCGQNOURAZGO-UHFFFAOYSA-N 1 0 249.314 0.914 10 0 BCAERO COC[C@H](C)C(=O)NCC1CC[NH2+]CC1 ZINC000120522743 410936646 /nfs/dbraw/zinc/93/66/46/410936646.db2.gz NTUBUJCIPAECEV-VIFPVBQESA-N 1 0 214.309 0.385 10 0 BCAERO CC(C)[C@@H](C)NC(=O)[C@@H](C)N1CC[NH2+]CC1 ZINC000020523660 167376717 /nfs/dbraw/zinc/37/67/17/167376717.db2.gz RGLHZACIPWRBIU-GHMZBOCLSA-N 1 0 227.352 0.441 10 0 BCAERO Cc1ocnc1CNC(=O)C[C@@H]([NH3+])C(C)C ZINC000398071087 410940881 /nfs/dbraw/zinc/94/08/81/410940881.db2.gz NWEHDWAFNVNAGK-SECBINFHSA-N 1 0 225.292 0.973 10 0 BCAERO CC(C)[C@@H](C[NH3+])N1CCn2ccnc2C1 ZINC000062249126 167396902 /nfs/dbraw/zinc/39/69/02/167396902.db2.gz YMWFJEFKRCSVGE-SNVBAGLBSA-N 1 0 208.309 0.682 10 0 BCAERO CC(C)[C@@H](C[NH3+])CC(=O)NC[C@H]1CCCO1 ZINC000076613141 167397053 /nfs/dbraw/zinc/39/70/53/167397053.db2.gz YBZPXRKKYPBOQX-GHMZBOCLSA-N 1 0 228.336 0.903 10 0 BCAERO CC(C)[C@@H]([NH3+])c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000019842424 167423141 /nfs/dbraw/zinc/42/31/41/167423141.db2.gz ZNYRKSUTJICPMT-SNVBAGLBSA-N 1 0 233.271 0.872 10 0 BCAERO COC[C@@H](C)C(=O)NCC1CC[NH2+]CC1 ZINC000120522878 410935588 /nfs/dbraw/zinc/93/55/88/410935588.db2.gz NTUBUJCIPAECEV-SECBINFHSA-N 1 0 214.309 0.385 10 0 BCAERO O=C(C[C@@H]1CCC[NH2+]1)NCC[C@@H]1CCCO1 ZINC000042170459 410972212 /nfs/dbraw/zinc/97/22/12/410972212.db2.gz ONPSMXPGNXMVJX-QWRGUYRKSA-N 1 0 226.320 0.814 10 0 BCAERO COC[C@H](C)NC(=O)C[C@H]1CCC[NH2+]1 ZINC000042165434 410972644 /nfs/dbraw/zinc/97/26/44/410972644.db2.gz PXMUGAXITAXHCF-DTWKUNHWSA-N 1 0 200.282 0.280 10 0 BCAERO CO[C@H](C[NH2+]C[C@H]1CN(C)CCO1)C1CC1 ZINC000382171170 410994216 /nfs/dbraw/zinc/99/42/16/410994216.db2.gz WKPUQOQCJYVDPZ-NWDGAFQWSA-N 1 0 228.336 0.332 10 0 BCAERO CC(C)C[C@@H]([NH3+])C(=O)N(C)C[C@H]1CCCO1 ZINC000042465792 411005098 /nfs/dbraw/zinc/00/50/98/411005098.db2.gz VUPGLSZDXZNQHK-GHMZBOCLSA-N 1 0 228.336 0.997 10 0 BCAERO CN(C[C@H]1CCCO1)C(=O)[C@@H]1CCCC[NH2+]1 ZINC000042465757 411006733 /nfs/dbraw/zinc/00/67/33/411006733.db2.gz YYICCSBGSHDSMX-MNOVXSKESA-N 1 0 226.320 0.766 10 0 BCAERO CN(C[C@H]1CCCO1)C(=O)C1([NH3+])CCCC1 ZINC000042465920 411006880 /nfs/dbraw/zinc/00/68/80/411006880.db2.gz HNXXSCJUPRRSQC-SNVBAGLBSA-N 1 0 226.320 0.895 10 0 BCAERO CC[C@@H]([NH3+])C(=O)N(C)C[C@H]1CCCO1 ZINC000042465873 411007107 /nfs/dbraw/zinc/00/71/07/411007107.db2.gz FMRXGQGKGBHDEQ-RKDXNWHRSA-N 1 0 200.282 0.361 10 0 BCAERO CC(C)[C@](C)(C[NH3+])N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000041053679 167520465 /nfs/dbraw/zinc/52/04/65/167520465.db2.gz HWZWWSQDLYGYCE-MNOVXSKESA-N 1 0 248.392 0.479 10 0 BCAERO C[C@H](Cc1ccccn1)NC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000655500207 411058470 /nfs/dbraw/zinc/05/84/70/411058470.db2.gz VWAONVLOEFVXII-NQBHXWOUSA-N 1 0 247.342 0.984 10 0 BCAERO Cc1nc(C)c(F)c(N2CC[NH2+]CC2)n1 ZINC000108381213 411144454 /nfs/dbraw/zinc/14/44/54/411144454.db2.gz GUHMWALGTIAOBW-UHFFFAOYSA-N 1 0 210.256 0.642 10 0 BCAERO CC(=O)CCC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000203413447 411149773 /nfs/dbraw/zinc/14/97/73/411149773.db2.gz WVBIYLVOGDDOOE-SNVBAGLBSA-N 1 0 212.293 0.518 10 0 BCAERO C[C@H](NC(=O)CCCC[NH3+])[C@@H]1CCCO1 ZINC000069733055 411158215 /nfs/dbraw/zinc/15/82/15/411158215.db2.gz MAGCBYJTAQTPCZ-UWVGGRQHSA-N 1 0 214.309 0.799 10 0 BCAERO CCC[C@H]([NH3+])C(=O)NCc1cc(C)n[nH]1 ZINC000309512538 411158538 /nfs/dbraw/zinc/15/85/38/411158538.db2.gz XUHCFUDRTGZYEJ-VIFPVBQESA-N 1 0 210.281 0.462 10 0 BCAERO [NH3+][C@H](CC(F)F)C(=O)N[C@H]1CCC[C@H](O)C1 ZINC000309365038 411107652 /nfs/dbraw/zinc/10/76/52/411107652.db2.gz AGLQTDNSKIYKCH-BIIVOSGPSA-N 1 0 236.262 0.389 10 0 BCAERO C[NH2+]CCC(=O)N[C@@H]1CCC[C@H](O)C1 ZINC000043600198 411123291 /nfs/dbraw/zinc/12/32/91/411123291.db2.gz NECZOFFYHZKPOB-BDAKNGLRSA-N 1 0 200.282 0.016 10 0 BCAERO COC[C@H](C)NC(=O)[C@@H](C[NH3+])c1ccccc1 ZINC000061610688 411169171 /nfs/dbraw/zinc/16/91/71/411169171.db2.gz NCYOCCPWDJSQKQ-JQWIXIFHSA-N 1 0 236.315 0.880 10 0 BCAERO COC[C@H](C)NC(=O)[C@H](C[NH3+])c1ccccc1 ZINC000061610690 411169420 /nfs/dbraw/zinc/16/94/20/411169420.db2.gz NCYOCCPWDJSQKQ-CMPLNLGQSA-N 1 0 236.315 0.880 10 0 BCAERO CC(C)n1cc([C@H]2C[NH2+]C[C@H]2CO)cn1 ZINC000238853241 167757219 /nfs/dbraw/zinc/75/72/19/167757219.db2.gz ITDWXHBYHVAYNM-WDEREUQCSA-N 1 0 209.293 0.759 10 0 BCAERO CCCNC(=O)CNC(=O)C[C@@H]([NH3+])C(C)C ZINC000128914687 411189527 /nfs/dbraw/zinc/18/95/27/411189527.db2.gz ALWZYRNRTNFTPO-SECBINFHSA-N 1 0 229.324 0.002 10 0 BCAERO CC(C)[C@@H]([NH3+])CC(=O)Nc1cnn(C)c1 ZINC000128918857 411189637 /nfs/dbraw/zinc/18/96/37/411189637.db2.gz XBRCSLAXXQOVOA-VIFPVBQESA-N 1 0 210.281 0.732 10 0 BCAERO CC[C@H]1CN(C(=O)C[C@H]([NH3+])C(C)C)CCO1 ZINC000128926859 411189799 /nfs/dbraw/zinc/18/97/99/411189799.db2.gz SZDAIUZLSPJFTF-QWRGUYRKSA-N 1 0 228.336 0.997 10 0 BCAERO Cc1nnc2c(N[C@@H]3C[NH2+]CC[C@@H]3C)nccn12 ZINC000389725811 411190648 /nfs/dbraw/zinc/19/06/48/411190648.db2.gz KSRNDJDVDYBFDM-WCBMZHEXSA-N 1 0 246.318 0.843 10 0 BCAERO CCOCCNC(=O)C[C@@H]([NH3+])C(C)C ZINC000128940185 411193794 /nfs/dbraw/zinc/19/37/94/411193794.db2.gz PZZFZKUMMGCLMQ-SECBINFHSA-N 1 0 202.298 0.513 10 0 BCAERO CC(C)C[C@@H]([NH3+])C(=O)N1CCn2ccnc2C1 ZINC000062254765 411197845 /nfs/dbraw/zinc/19/78/45/411197845.db2.gz PUFAWJOANPHLQL-SNVBAGLBSA-N 1 0 236.319 0.599 10 0 BCAERO CC(C)n1ccnc(N(C)[C@H](C)CC[NH3+])c1=O ZINC000063086393 167769400 /nfs/dbraw/zinc/76/94/00/167769400.db2.gz LUKBZFPJTAMDID-SNVBAGLBSA-N 1 0 238.335 0.998 10 0 BCAERO CC(C)n1ccnc(NC2CC[NH2+]CC2)c1=O ZINC000061767484 167769975 /nfs/dbraw/zinc/76/99/75/167769975.db2.gz ZIIOPPIEOYWUFX-UHFFFAOYSA-N 1 0 236.319 0.988 10 0 BCAERO CC(C)n1ccnc(O[C@@H]2CC[NH2+]C2)c1=O ZINC000061771587 167770844 /nfs/dbraw/zinc/77/08/44/167770844.db2.gz ACUBFKPEGDSBTG-SECBINFHSA-N 1 0 223.276 0.565 10 0 BCAERO COc1ccc(NC2=[NH+]CCN2)cc1N ZINC000521400765 411211697 /nfs/dbraw/zinc/21/16/97/411211697.db2.gz DDFJBSGPMILLEF-UHFFFAOYSA-N 1 0 206.249 0.649 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)N[C@@H]1CCCOC1 ZINC000129060109 411216298 /nfs/dbraw/zinc/21/62/98/411216298.db2.gz GANXEAHMYYEYPQ-NXEZZACHSA-N 1 0 214.309 0.655 10 0 BCAERO CC(C)[C@@H]([NH3+])CC(=O)N[C@@H]1CO[C@H](C)C1 ZINC000402352394 411216267 /nfs/dbraw/zinc/21/62/67/411216267.db2.gz AIDIDTMMGCYAJT-UTLUCORTSA-N 1 0 214.309 0.653 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)N1CCCO[C@H](C)C1 ZINC000129049697 411216846 /nfs/dbraw/zinc/21/68/46/411216846.db2.gz WWSGKLAJIQEAMX-GHMZBOCLSA-N 1 0 228.336 0.997 10 0 BCAERO CC[C@@H](COC)NC(=O)C[C@@H]([NH3+])C(C)C ZINC000129086235 411220377 /nfs/dbraw/zinc/22/03/77/411220377.db2.gz LESJKPKBFVUVRC-VHSXEESVSA-N 1 0 216.325 0.901 10 0 BCAERO CC[C@H](COC)NC(=O)C[C@H]([NH3+])C(C)C ZINC000129086017 411220717 /nfs/dbraw/zinc/22/07/17/411220717.db2.gz LESJKPKBFVUVRC-ZJUUUORDSA-N 1 0 216.325 0.901 10 0 BCAERO C[C@@H]1C[C@H]([NH2+][C@@H]2CCNC2=O)CN1C1CC1 ZINC000658055684 411222146 /nfs/dbraw/zinc/22/21/46/411222146.db2.gz UCHFLIPXLXIMIM-WCABBAIRSA-N 1 0 223.320 0.090 10 0 BCAERO CC[C@H](C)[C@@H]([NH3+])C(=O)N(C)Cc1cn[nH]c1 ZINC000069763477 411224428 /nfs/dbraw/zinc/22/44/28/411224428.db2.gz ZVALFGREYIBFTH-WCBMZHEXSA-N 1 0 224.308 0.742 10 0 BCAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)N(C)Cc1cn[nH]c1 ZINC000069763476 411224435 /nfs/dbraw/zinc/22/44/35/411224435.db2.gz ZVALFGREYIBFTH-PSASIEDQSA-N 1 0 224.308 0.742 10 0 BCAERO CO[C@](C)(CO)C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000655785139 411225874 /nfs/dbraw/zinc/22/58/74/411225874.db2.gz KBJUGOWPSKBDCS-NOHGZBONSA-N 1 0 243.347 0.787 10 0 BCAERO CC(CO)(CO)[NH2+]C[C@@H]1C[C@@H]2C=C[C@H]1C2 ZINC000096033859 167806432 /nfs/dbraw/zinc/80/64/32/167806432.db2.gz NLLHPZPIRNAXCA-VWYCJHECSA-N 1 0 211.305 0.532 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)NCc1c[nH]cn1 ZINC000129113691 411230007 /nfs/dbraw/zinc/23/00/07/411230007.db2.gz AJNVCMGDZSKCLU-SECBINFHSA-N 1 0 210.281 0.399 10 0 BCAERO CC[C@]1(C(=O)N[C@H]2CCC[C@H](O)C2)CCC[NH2+]1 ZINC000215313060 411231067 /nfs/dbraw/zinc/23/10/67/411231067.db2.gz FRTSRXRWZFOWHK-GMXVVIOVSA-N 1 0 240.347 0.938 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)N[C@H](C)CCCO ZINC000129139462 411232387 /nfs/dbraw/zinc/23/23/87/411232387.db2.gz DGXRMVVHTYVNFI-NXEZZACHSA-N 1 0 216.325 0.637 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)NCC1(CO)CC1 ZINC000129155435 411233580 /nfs/dbraw/zinc/23/35/80/411233580.db2.gz SNQXBQNGBIJKNA-SECBINFHSA-N 1 0 214.309 0.249 10 0 BCAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)C[C@H]1CCCO1 ZINC000393741914 411234159 /nfs/dbraw/zinc/23/41/59/411234159.db2.gz JRUQWZBEWUQATB-OPRDCNLKSA-N 1 0 212.293 0.504 10 0 BCAERO CN(C[C@H](O)C[NH2+]C[C@@H]1CCC[C@@H]1O)C1CC1 ZINC000310401875 411236957 /nfs/dbraw/zinc/23/69/57/411236957.db2.gz NHTWAPDLBJGXGA-UHTWSYAYSA-N 1 0 242.363 0.192 10 0 BCAERO CCOC[C@@H](O)CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000082699502 411167502 /nfs/dbraw/zinc/16/75/02/411167502.db2.gz WBNGTVQSUHMTTQ-NEPJUHHUSA-N 1 0 228.336 0.164 10 0 BCAERO CC/C=C(\C)C(=O)N(C)[C@@H]1C[NH2+]C[C@H]1O ZINC000036261259 167830039 /nfs/dbraw/zinc/83/00/39/167830039.db2.gz LYLNDRKCHNIMDC-STFJZOTBSA-N 1 0 212.293 0.134 10 0 BCAERO C[C@H]1CC[C@@H](Nc2ccc3nncn3n2)C[NH2+]1 ZINC000630534644 411266141 /nfs/dbraw/zinc/26/61/41/411266141.db2.gz NXUPSKPANSTIOE-DTWKUNHWSA-N 1 0 232.291 0.677 10 0 BCAERO CC(C)[C@@H]([NH3+])CC(=O)NC[C@H]1CCCO1 ZINC000128875428 411268961 /nfs/dbraw/zinc/26/89/61/411268961.db2.gz NNELOLDYLQIOAY-ZJUUUORDSA-N 1 0 214.309 0.655 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)N(C)Cc1ncc[nH]1 ZINC000070645742 411271769 /nfs/dbraw/zinc/27/17/69/411271769.db2.gz JJANNDRIWPTNLO-MRVPVSSYSA-N 1 0 210.281 0.496 10 0 BCAERO Nc1cc([C@H]2C[N@H+](CCO)CCCO2)ccn1 ZINC000616598664 411281344 /nfs/dbraw/zinc/28/13/44/411281344.db2.gz OWRHUXPSZWDAAB-LLVKDONJSA-N 1 0 237.303 0.420 10 0 BCAERO Nc1ccc([C@@H]2CCCN(CC[NH3+])C2)cn1 ZINC000616621162 411287202 /nfs/dbraw/zinc/28/72/02/411287202.db2.gz PNILNJLJLLRADO-LLVKDONJSA-N 1 0 220.320 0.802 10 0 BCAERO Cc1nnsc1C(=O)N[C@H]1CCC[NH2+][C@@H]1C ZINC000129468574 411289310 /nfs/dbraw/zinc/28/93/10/411289310.db2.gz CVQDSLOFJRMLJM-SVRRBLITSA-N 1 0 240.332 0.717 10 0 BCAERO COCCCN(C)C(=O)C1CCC([NH3+])CC1 ZINC000062033512 411296348 /nfs/dbraw/zinc/29/63/48/411296348.db2.gz SEHQJQFHQQQFRT-UHFFFAOYSA-N 1 0 228.336 0.999 10 0 BCAERO C[C@@H]1C[C@@H](O)C[N@H+](CC[C@H]2CCNC2=O)C1 ZINC000401785355 411330793 /nfs/dbraw/zinc/33/07/93/411330793.db2.gz DAZJPGVZBZTDFS-GMTAPVOTSA-N 1 0 226.320 0.215 10 0 BCAERO CCN(C(=O)[C@H]1CC[NH2+]C1)[C@H]1CCCOC1 ZINC000402666523 411307345 /nfs/dbraw/zinc/30/73/45/411307345.db2.gz AYALDIKMPXHFGV-QWRGUYRKSA-N 1 0 226.320 0.623 10 0 BCAERO CNC(=O)c1ccc(N(C)CC(C)(C)[NH3+])nn1 ZINC000656608921 411307557 /nfs/dbraw/zinc/30/75/57/411307557.db2.gz OWJXYEQTVDLAOE-UHFFFAOYSA-N 1 0 237.307 0.010 10 0 BCAERO COC(C)(C)[C@@H](C)[NH2+]C[C@H]1CC(=O)N(C)C1 ZINC000658239224 411308253 /nfs/dbraw/zinc/30/82/53/411308253.db2.gz CCGHIHMLGNLYHD-NXEZZACHSA-N 1 0 228.336 0.868 10 0 BCAERO CCOc1cncc(N2CC3CC2(C[NH3+])C3)n1 ZINC000656610840 411308919 /nfs/dbraw/zinc/30/89/19/411308919.db2.gz MRPLAAOBLRLEII-UHFFFAOYSA-N 1 0 234.303 0.803 10 0 BCAERO CCn1ccnc(NCC2([NH3+])CCCC2)c1=O ZINC000656610524 411309020 /nfs/dbraw/zinc/30/90/20/411309020.db2.gz HZZSNTWQTUIVLF-UHFFFAOYSA-N 1 0 236.319 0.947 10 0 BCAERO CC[C@H](COC)[NH2+]C[C@H]1CC(=O)N(C)C1 ZINC000658240554 411309471 /nfs/dbraw/zinc/30/94/71/411309471.db2.gz BDWFKSYYGZBRDC-NXEZZACHSA-N 1 0 214.309 0.479 10 0 BCAERO CC1(C)CCN(C(=O)[C@@H]2C[C@@H](O)C[NH2+]2)CC1 ZINC000061821063 167918176 /nfs/dbraw/zinc/91/81/76/167918176.db2.gz GLRHMTZIICNASD-ZJUUUORDSA-N 1 0 226.320 0.358 10 0 BCAERO [NH3+]Cc1cn(CCO[C@@H]2CCCCO2)nn1 ZINC000050224465 411254230 /nfs/dbraw/zinc/25/42/30/411254230.db2.gz JOJJDQPJVMSSLR-SNVBAGLBSA-N 1 0 226.280 0.280 10 0 BCAERO C[C@]1(C(=O)N[C@@H]2CCC[C@H](O)C2)CCC[NH2+]C1 ZINC000062854538 411326708 /nfs/dbraw/zinc/32/67/08/411326708.db2.gz KLIMAWNZFGTSKG-MDZLAQPJSA-N 1 0 240.347 0.796 10 0 BCAERO COC(=O)N1CC[NH2+]C[C@H]1c1ccnc(N)c1 ZINC000616635788 411259458 /nfs/dbraw/zinc/25/94/58/411259458.db2.gz MLZQURKHURSKFX-VIFPVBQESA-N 1 0 236.275 0.377 10 0 BCAERO Cn1nnnc1N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000063201358 411349369 /nfs/dbraw/zinc/34/93/69/411349369.db2.gz HNAFFOPXNVCUPG-SNVBAGLBSA-N 1 0 236.323 0.179 10 0 BCAERO COCC(C)(C)NC(=O)C[C@@H]([NH3+])C(C)C ZINC000125423531 411372758 /nfs/dbraw/zinc/37/27/58/411372758.db2.gz QKDUPOBIMFODME-SECBINFHSA-N 1 0 216.325 0.901 10 0 BCAERO COC[C@H](C[N@@H+]1CCC[C@@H]1CCCO)OC ZINC000659871020 411355824 /nfs/dbraw/zinc/35/58/24/411355824.db2.gz LDXJOXWJJTWYKQ-NEPJUHHUSA-N 1 0 231.336 0.885 10 0 BCAERO C[C@H](NC(=O)CN1CC[NH2+]CC1)C1CCCC1 ZINC000070307749 411373207 /nfs/dbraw/zinc/37/32/07/411373207.db2.gz DYTBQRKKNWAEIF-NSHDSACASA-N 1 0 239.363 0.587 10 0 BCAERO CN(C)[C@H]1CC[N@H+](CCCCCO)C1 ZINC000062967321 411334543 /nfs/dbraw/zinc/33/45/43/411334543.db2.gz IQTHTUFQKWQKAN-NSHDSACASA-N 1 0 200.326 0.785 10 0 BCAERO CCC[C@H](O)C[N@@H+]1CC[C@H](N(C)C)C1 ZINC000062968071 411334978 /nfs/dbraw/zinc/33/49/78/411334978.db2.gz QAAXKVANKACKSS-QWRGUYRKSA-N 1 0 200.326 0.783 10 0 BCAERO [NH3+]C1(C(=O)N[C@@H]2CC[C@H]3C[C@H]3C2)CCOCC1 ZINC000403210736 411335892 /nfs/dbraw/zinc/33/58/92/411335892.db2.gz FGOKSUWNFUXKDT-GARJFASQSA-N 1 0 238.331 0.799 10 0 BCAERO C[C@H]([NH3+])CCC(=O)NCC[C@H]1CCCO1 ZINC000069839639 411372194 /nfs/dbraw/zinc/37/21/94/411372194.db2.gz VVQAZCOWXPZZPD-VHSXEESVSA-N 1 0 214.309 0.799 10 0 BCAERO COC[C@@H](CC[NH2+][C@@H]1CCCC[C@H]1O)OC ZINC000656703237 411339562 /nfs/dbraw/zinc/33/95/62/411339562.db2.gz BOQYZDCBFNFOTB-IJLUTSLNSA-N 1 0 231.336 0.931 10 0 BCAERO CC1(CNc2ccnc(C(N)=O)c2)CC[NH2+]CC1 ZINC000129446922 168047754 /nfs/dbraw/zinc/04/77/54/168047754.db2.gz QUPCGDHPOLHTII-UHFFFAOYSA-N 1 0 248.330 0.982 10 0 BCAERO O=C(N[C@@H]1CCC[C@H](O)C1)[C@@H]1CC[NH2+]C1 ZINC000062113118 411346459 /nfs/dbraw/zinc/34/64/59/411346459.db2.gz WWGAIBPYRKYLQQ-BBBLOLIVSA-N 1 0 212.293 0.016 10 0 BCAERO O=C(N[C@H]1CCC[C@@H](O)C1)[C@@H]1CC[NH2+]C1 ZINC000062113115 411347202 /nfs/dbraw/zinc/34/72/02/411347202.db2.gz WWGAIBPYRKYLQQ-KXUCPTDWSA-N 1 0 212.293 0.016 10 0 BCAERO OC1(C[N@@H+]2CC[C@@H]3COC[C@H]3C2)CCC1 ZINC000662031248 411347927 /nfs/dbraw/zinc/34/79/27/411347927.db2.gz RDOOBGLRTDXKQA-GHMZBOCLSA-N 1 0 211.305 0.870 10 0 BCAERO CC1(NC(=O)[C@H]2C[C@@H](O)C[NH2+]2)CCCC1 ZINC000042188042 168059774 /nfs/dbraw/zinc/05/97/74/168059774.db2.gz PCUXTMOHYLESBK-RKDXNWHRSA-N 1 0 212.293 0.158 10 0 BCAERO CC1([NH2+][C@@H]2CS(=O)(=O)C[C@H]2O)CCCC1 ZINC000042186951 168064012 /nfs/dbraw/zinc/06/40/12/168064012.db2.gz SDWHVNPXAYDOMV-RKDXNWHRSA-N 1 0 233.333 0.067 10 0 BCAERO CC1=CC(=O)N(C[C@@H]2CCC[NH2+]C2)C1=O ZINC000044503375 168092241 /nfs/dbraw/zinc/09/22/41/168092241.db2.gz VFKXNMDSZITZEA-SECBINFHSA-N 1 0 208.261 0.301 10 0 BCAERO CC1CC(NC(=O)C2(C[NH3+])CCOCC2)C1 ZINC000123380592 168141212 /nfs/dbraw/zinc/14/12/12/168141212.db2.gz JAQPTTKJNOLYOQ-UHFFFAOYSA-N 1 0 226.320 0.657 10 0 BCAERO CC1CCC(CO)([NH2+]CC(N)=O)CC1 ZINC000053118986 168156410 /nfs/dbraw/zinc/15/64/10/168156410.db2.gz UEWHYZIZGSDELC-UHFFFAOYSA-N 1 0 200.282 0.003 10 0 BCAERO CC1CCC([NH2+][C@@H]2CC(=O)N(C)C2=O)CC1 ZINC000014292679 168164210 /nfs/dbraw/zinc/16/42/10/168164210.db2.gz UJYGSISJBYPJFC-UDNWOFFPSA-N 1 0 224.304 0.912 10 0 BCAERO CO[C@H](C(=O)NC[C@H]1CC[NH2+]C1)C1CCC1 ZINC000659303846 411391091 /nfs/dbraw/zinc/39/10/91/411391091.db2.gz JZCJBGLDVKKQJY-ONGXEEELSA-N 1 0 226.320 0.527 10 0 BCAERO CCC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000116788434 168221775 /nfs/dbraw/zinc/22/17/75/168221775.db2.gz JUJVECOOXNIZOJ-VIFPVBQESA-N 1 0 200.282 0.185 10 0 BCAERO CCOCCC[N@@H+]1CC[C@H]2OCCN[C@H]2C1 ZINC000404204224 411382869 /nfs/dbraw/zinc/38/28/69/411382869.db2.gz RKZSIYYBHJIGJU-NWDGAFQWSA-N 1 0 228.336 0.476 10 0 BCAERO c1nc(CN2CC[C@H]3OCC[NH2+][C@@H]3C2)cs1 ZINC000404204290 411382946 /nfs/dbraw/zinc/38/29/46/411382946.db2.gz RNMCNAKUJNDYAE-GHMZBOCLSA-N 1 0 239.344 0.706 10 0 BCAERO CCC(C)(C)NC(=O)C(=O)N1CCC[NH2+]CC1 ZINC000036904413 168287436 /nfs/dbraw/zinc/28/74/36/168287436.db2.gz XJLJSHIAJSHLJT-UHFFFAOYSA-N 1 0 241.335 0.113 10 0 BCAERO CCC(C)(C)NC(=O)C[NH2+][C@@H]1CCCNC1=O ZINC000050395760 168289355 /nfs/dbraw/zinc/28/93/55/168289355.db2.gz OIIRLCYRXNHZPS-SECBINFHSA-N 1 0 241.335 0.159 10 0 BCAERO CCC(C)(C)NC(=O)[C@@H](C)[NH2+][C@@H](C)C(=O)NC ZINC000042563030 168294509 /nfs/dbraw/zinc/29/45/09/168294509.db2.gz YMBSHZDCJSSETB-DTWKUNHWSA-N 1 0 243.351 0.404 10 0 BCAERO C[C@H]1[C@H]([NH3+])CCN1C(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC000659315593 411393152 /nfs/dbraw/zinc/39/31/52/411393152.db2.gz SAWILUNTVPOHGR-FBDQPXRJSA-N 1 0 208.305 0.981 10 0 BCAERO COCC1(N(C)C(=O)[C@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000659338929 411398390 /nfs/dbraw/zinc/39/83/90/411398390.db2.gz SIIHHEDZAKSOJQ-VHSXEESVSA-N 1 0 226.320 0.751 10 0 BCAERO COCC1(N(C)C(=O)[C@H]2CC[NH2+]C2)CC1 ZINC000659339168 411398478 /nfs/dbraw/zinc/39/84/78/411398478.db2.gz TYLYUERBYMBBNZ-VIFPVBQESA-N 1 0 212.293 0.233 10 0 BCAERO [NH3+][C@@H]1CC[C@@H](C(=O)NCCO[C@H]2CC2(F)F)C1 ZINC000659345399 411400993 /nfs/dbraw/zinc/40/09/93/411400993.db2.gz KLFAREPWASEUBK-HLTSFMKQSA-N 1 0 248.273 0.654 10 0 BCAERO C[C@@H]1CCC[C@H](CNC(=O)[C@H]2CC[NH2+]C2)O1 ZINC000659360083 411402690 /nfs/dbraw/zinc/40/26/90/411402690.db2.gz ADZHZUZSPQIVIW-OUAUKWLOSA-N 1 0 226.320 0.670 10 0 BCAERO COC(=O)N1CCCOC[C@H]1CC[NH3+] ZINC000616648913 411411420 /nfs/dbraw/zinc/41/14/20/411411420.db2.gz GVUKFXNVCQPJLO-MRVPVSSYSA-N 1 0 202.254 0.193 10 0 BCAERO COC[C@@H](C)C(=O)N1CC[NH2+]C[C@@H]1C ZINC000126008565 411411686 /nfs/dbraw/zinc/41/16/86/411411686.db2.gz CIXYXFXECYGKLY-BDAKNGLRSA-N 1 0 200.282 0.089 10 0 BCAERO CC(C)[N@@H+]1CCO[C@H](c2cn[nH]n2)CC1 ZINC000616687268 411414456 /nfs/dbraw/zinc/41/44/56/411414456.db2.gz RFVCWWPULLLGGP-JTQLQIEISA-N 1 0 210.281 0.977 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N1CCCC(F)(F)C1 ZINC000405110575 411417890 /nfs/dbraw/zinc/41/78/90/411417890.db2.gz BKIDCUWEIPSIKU-SSDOTTSWSA-N 1 0 222.235 0.218 10 0 BCAERO [NH3+]C1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2O3)CC1 ZINC000129932960 411428144 /nfs/dbraw/zinc/42/81/44/411428144.db2.gz HTUWMLWFISKFGI-IVVCIIHESA-N 1 0 238.331 0.940 10 0 BCAERO CCO[C@@H]1CN(c2nnc(C)s2)C[C@H]1C[NH3+] ZINC000405507182 411431722 /nfs/dbraw/zinc/43/17/22/411431722.db2.gz DQEAALYYGWZGBA-RKDXNWHRSA-N 1 0 242.348 0.647 10 0 BCAERO CCO[C@@H]1CN(c2ncc(C)cn2)C[C@H]1C[NH3+] ZINC000405530030 411432853 /nfs/dbraw/zinc/43/28/53/411432853.db2.gz MKWXIUAJTIINHQ-GHMZBOCLSA-N 1 0 236.319 0.585 10 0 BCAERO C[C@H](NC(=O)CCC1C[NH2+]C1)[C@H]1CCCO1 ZINC000637930089 411446352 /nfs/dbraw/zinc/44/63/52/411446352.db2.gz SQHBUSDJTQNLFW-GXSJLCMTSA-N 1 0 226.320 0.670 10 0 BCAERO [NH3+][C@@H]1CC=C(C(=O)N[C@H]2CCC[C@H](O)C2)C1 ZINC000637929389 411447313 /nfs/dbraw/zinc/44/73/13/411447313.db2.gz YIOQMSVMGSFOGC-VWYCJHECSA-N 1 0 224.304 0.454 10 0 BCAERO CCN([C@@H](C)C(=O)NC(C)(C)C)[C@@H]1CC[NH2+]C1 ZINC000071314020 169940327 /nfs/dbraw/zinc/94/03/27/169940327.db2.gz PHCCDPLYIRNEPC-WDEREUQCSA-N 1 0 241.379 0.973 10 0 BCAERO CCN(c1cc(C(N)=O)ccn1)[C@H]1CCC[NH2+]C1 ZINC000104330952 169941110 /nfs/dbraw/zinc/94/11/10/169941110.db2.gz RLFLWHLSJGCBJA-NSHDSACASA-N 1 0 248.330 0.759 10 0 BCAERO CCN1CC[C@@H]([N@@H+]2CC[C@@H](CCO)C2)C1=O ZINC000659953979 411511236 /nfs/dbraw/zinc/51/12/36/411511236.db2.gz YRKLLQWICKGGGX-WDEREUQCSA-N 1 0 226.320 0.312 10 0 BCAERO CCN(C)C(=O)NC[C@@H]1CC[N@H+](CC)C1 ZINC000121969093 170008752 /nfs/dbraw/zinc/00/87/52/170008752.db2.gz KXTOTRYOPOFZTC-JTQLQIEISA-N 1 0 213.325 0.990 10 0 BCAERO CC[N@@H+]1CCc2c(c(COC)nn2C)C1 ZINC000096084893 170023731 /nfs/dbraw/zinc/02/37/31/170023731.db2.gz CGHLKFZENDECQS-UHFFFAOYSA-N 1 0 209.293 0.945 10 0 BCAERO CC[N@@H+]1CCc2nc(N)cnc2C[C@@H]1C ZINC000039101075 170025061 /nfs/dbraw/zinc/02/50/61/170025061.db2.gz DPJOXXIIOGDSEB-QMMMGPOBSA-N 1 0 206.293 0.868 10 0 BCAERO CCN1C[C@@H](C)[C@@H]([NH2+]Cc2cnn(C)c2)C1 ZINC000309638363 170029990 /nfs/dbraw/zinc/02/99/90/170029990.db2.gz KCHSGEBQYKNVAH-PWSUYJOCSA-N 1 0 222.336 0.850 10 0 BCAERO CCN1C[C@H](C)[C@H]([NH2+]Cc2cnn(C)c2)C1 ZINC000309638359 170038634 /nfs/dbraw/zinc/03/86/34/170038634.db2.gz KCHSGEBQYKNVAH-CMPLNLGQSA-N 1 0 222.336 0.850 10 0 BCAERO O=C1NCC[C@H]1[NH2+]Cc1cnn(CC(F)F)c1 ZINC000657522059 411540635 /nfs/dbraw/zinc/54/06/35/411540635.db2.gz FEUJBQFTYJHMOW-MRVPVSSYSA-N 1 0 244.245 0.126 10 0 BCAERO CCNC(=O)C1CCN(C(=O)[C@@H]([NH3+])CC)CC1 ZINC000037819036 170043949 /nfs/dbraw/zinc/04/39/49/170043949.db2.gz JFWMPLCUMIOYOA-JTQLQIEISA-N 1 0 241.335 0.098 10 0 BCAERO CCNC(=O)CN(C)C(=O)[C@@H]1CCC[C@H](C)[NH2+]1 ZINC000049716929 170054051 /nfs/dbraw/zinc/05/40/51/170054051.db2.gz DYWJYHULIJETBX-UWVGGRQHSA-N 1 0 241.335 0.112 10 0 BCAERO CCNC(=O)CN(C)C(=O)[C@H]1CCC[C@H](C)[NH2+]1 ZINC000049716930 170054279 /nfs/dbraw/zinc/05/42/79/170054279.db2.gz DYWJYHULIJETBX-VHSXEESVSA-N 1 0 241.335 0.112 10 0 BCAERO CCNC(=O)C[NH2+][C@H](C)C(=O)NCCC(C)C ZINC000035207078 170065380 /nfs/dbraw/zinc/06/53/80/170065380.db2.gz RQQYGJASPSDRRJ-SNVBAGLBSA-N 1 0 243.351 0.263 10 0 BCAERO CCNC(=O)CN[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000049565405 170065535 /nfs/dbraw/zinc/06/55/35/170065535.db2.gz NSBABKQXTWXDOP-GHMZBOCLSA-N 1 0 225.336 0.339 10 0 BCAERO CCNC(=O)C[NH2+][C@H](C)C(=O)NC(C)(C)CC ZINC000035207085 170065556 /nfs/dbraw/zinc/06/55/56/170065556.db2.gz DFQCGHLGGIHNMV-SECBINFHSA-N 1 0 243.351 0.405 10 0 BCAERO CCNC(=O)Cn1c(N)[nH+]c2ccccc21 ZINC000036779901 170070633 /nfs/dbraw/zinc/07/06/33/170070633.db2.gz KUPPYFUDKNWMJA-UHFFFAOYSA-N 1 0 218.260 0.755 10 0 BCAERO CCNC(=O)[C@@H](C)[NH2+]C1CCC(C(N)=O)CC1 ZINC000038091921 170087591 /nfs/dbraw/zinc/08/75/91/170087591.db2.gz GNAAAAPJFUBCBW-XNWIYYODSA-N 1 0 241.335 0.145 10 0 BCAERO CCNC(=O)[C@@H](C)[NH2+]CCC(=O)N[C@H](C)CC ZINC000038014651 170088009 /nfs/dbraw/zinc/08/80/09/170088009.db2.gz NZKBBOOJUHUGPT-NXEZZACHSA-N 1 0 243.351 0.405 10 0 BCAERO CCNC(=O)[C@@H](C)[NH2+]CCC(=O)N[C@@H](C)CC ZINC000038014652 170088618 /nfs/dbraw/zinc/08/86/18/170088618.db2.gz NZKBBOOJUHUGPT-VHSXEESVSA-N 1 0 243.351 0.405 10 0 BCAERO CCNC(=O)[C@H](C)N(C)C1CC[NH2+]CC1 ZINC000036301646 170092738 /nfs/dbraw/zinc/09/27/38/170092738.db2.gz JSVKQVVEOHZMRY-VIFPVBQESA-N 1 0 213.325 0.195 10 0 BCAERO CCNC(=O)[C@H](C)NC(=O)[C@H]1CCC[C@H](C)[NH2+]1 ZINC000049225267 170094128 /nfs/dbraw/zinc/09/41/28/170094128.db2.gz QNNHVFPQQWAELW-LPEHRKFASA-N 1 0 241.335 0.158 10 0 BCAERO CCNC(=O)[C@H](C[NH3+])Cc1ccccc1 ZINC000044795959 170097890 /nfs/dbraw/zinc/09/78/90/170097890.db2.gz MXULZIUXHBEAGB-NSHDSACASA-N 1 0 206.289 0.940 10 0 BCAERO CCNC(=O)c1cc(N[C@@H]2CC[N@H+](C)C2)ccn1 ZINC000042548100 170100909 /nfs/dbraw/zinc/10/09/09/170100909.db2.gz RIXGDRSMRMAWHR-LLVKDONJSA-N 1 0 248.330 0.947 10 0 BCAERO CCNC(=O)c1ccc(OCC[NH3+])c(OC)c1 ZINC000020271552 170103031 /nfs/dbraw/zinc/10/30/31/170103031.db2.gz YXIAZKNCLFUKBY-UHFFFAOYSA-N 1 0 238.287 0.782 10 0 BCAERO CC[NH2+]C(C)(C)C(=O)N1CCC[C@@H](O)C1 ZINC000061289046 170105974 /nfs/dbraw/zinc/10/59/74/170105974.db2.gz VLHJZVVMRBFMFE-SECBINFHSA-N 1 0 214.309 0.358 10 0 BCAERO CC[NH2+]C(C)(C)C(=O)N1CCOC[C@@H]1C ZINC000061289287 170106076 /nfs/dbraw/zinc/10/60/76/170106076.db2.gz RQGPRNQQEKHOGQ-VIFPVBQESA-N 1 0 214.309 0.622 10 0 BCAERO CC[NH2+]C(C)(C)C(=O)N1CCO[C@@H](C)C1 ZINC000061278563 170106208 /nfs/dbraw/zinc/10/62/08/170106208.db2.gz BJWFGLAFKPXBDO-VIFPVBQESA-N 1 0 214.309 0.622 10 0 BCAERO CC[NH2+]C(C)(C)C(=O)N1CCC[C@H](O)C1 ZINC000061289045 170106246 /nfs/dbraw/zinc/10/62/46/170106246.db2.gz VLHJZVVMRBFMFE-VIFPVBQESA-N 1 0 214.309 0.358 10 0 BCAERO CC[NH2+]C(C)(C)CN1CCS(=O)(=O)CC1 ZINC000061299697 170107353 /nfs/dbraw/zinc/10/73/53/170107353.db2.gz ZCNNSJBTPJJZGK-UHFFFAOYSA-N 1 0 234.365 0.105 10 0 BCAERO CC[NH2+]C(C)(C)C(=O)NCCc1nccn1C ZINC000061298236 170107490 /nfs/dbraw/zinc/10/74/90/170107490.db2.gz CHXNYTIVBGBTAF-UHFFFAOYSA-N 1 0 238.335 0.467 10 0 BCAERO CC[NH2+]C(C)(C)C(=O)NCCCOCCOC ZINC000061298604 170107498 /nfs/dbraw/zinc/10/74/98/170107498.db2.gz YLSIHEBNMZNFAS-UHFFFAOYSA-N 1 0 246.351 0.544 10 0 BCAERO CC[NH2+]C1(C(=O)[O-])CC[NH+](C(C)C)CC1 ZINC000037181348 170108812 /nfs/dbraw/zinc/10/88/12/170108812.db2.gz BUGTUDNOUHGJCN-UHFFFAOYSA-N 1 0 214.309 0.924 10 0 BCAERO CC[NH2+]CC(=O)N1CCO[C@@H]2CCC[C@H]21 ZINC000044651660 170109079 /nfs/dbraw/zinc/10/90/79/170109079.db2.gz YHQXXFYQDBGMOV-NXEZZACHSA-N 1 0 212.293 0.376 10 0 BCAERO CC[NH2+]CC(=O)N1CCOCC1(C)C ZINC000044651488 170109460 /nfs/dbraw/zinc/10/94/60/170109460.db2.gz BEUQQMVVAJRSGH-UHFFFAOYSA-N 1 0 200.282 0.233 10 0 BCAERO CC[NH2+]CCCNc1ncccc1C(N)=O ZINC000038043397 170112534 /nfs/dbraw/zinc/11/25/34/170112534.db2.gz HZZIJRKHAUIVJM-UHFFFAOYSA-N 1 0 222.292 0.592 10 0 BCAERO CC[NH2+]CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O ZINC000105222906 170113471 /nfs/dbraw/zinc/11/34/71/170113471.db2.gz MZBHWIONVMEGNH-NXEZZACHSA-N 1 0 222.288 0.547 10 0 BCAERO CC[NH2+]CCN1CCCC[C@@H]1CCO ZINC000042409294 170113773 /nfs/dbraw/zinc/11/37/73/170113773.db2.gz AIGCCNXNDGHDAE-LLVKDONJSA-N 1 0 200.326 0.833 10 0 BCAERO CC[NH2+]CCNc1nnnn1-c1ccccc1 ZINC000054267339 170116164 /nfs/dbraw/zinc/11/61/64/170116164.db2.gz LNLVZTSZCUITOV-UHFFFAOYSA-N 1 0 232.291 0.684 10 0 BCAERO CC[NH2+]C[C@@H](C)C(=O)N1CCC[C@H](O)C1 ZINC000061229417 170118026 /nfs/dbraw/zinc/11/80/26/170118026.db2.gz KFXYOWSUJKEVQH-ZJUUUORDSA-N 1 0 214.309 0.215 10 0 BCAERO CC[NH2+]C[C@@H](C)C(=O)N1CCCO[C@H](C)C1 ZINC000061920448 170118031 /nfs/dbraw/zinc/11/80/31/170118031.db2.gz NOYMRRVIMCZUQG-GHMZBOCLSA-N 1 0 228.336 0.869 10 0 BCAERO CC[NH2+]C[C@@H]1CCCN1c1nccn1C ZINC000053696884 170120327 /nfs/dbraw/zinc/12/03/27/170120327.db2.gz NRGOCULOPWPDOT-JTQLQIEISA-N 1 0 208.309 0.998 10 0 BCAERO CC[NH2+]C[C@@H]1CCN(c2cnn(C)c2)C1 ZINC000053031192 170120360 /nfs/dbraw/zinc/12/03/60/170120360.db2.gz BIEQXKBFYSQNCK-JTQLQIEISA-N 1 0 208.309 0.856 10 0 BCAERO CC[NH2+]C[C@H](C)[C@H]1CCS(=O)(=O)C1 ZINC000052950496 170121643 /nfs/dbraw/zinc/12/16/43/170121643.db2.gz VOYJCKCCDNBORN-IUCAKERBSA-N 1 0 205.323 0.667 10 0 BCAERO CC[NH2+]C[C@H](C)C(=O)NCCCOCCOC ZINC000061267183 170121687 /nfs/dbraw/zinc/12/16/87/170121687.db2.gz WZXLJNQYBUZUHA-NSHDSACASA-N 1 0 246.351 0.401 10 0 BCAERO CC[NH2+]C[C@H](C)c1nnc2cnccn21 ZINC000061219774 170122076 /nfs/dbraw/zinc/12/20/76/170122076.db2.gz MXZDKBJSBOLHHW-QMMMGPOBSA-N 1 0 205.265 0.837 10 0 BCAERO CC[NH2+]C[C@H](C)C(=O)N1CCC[C@@H](O)C1 ZINC000061229425 170122116 /nfs/dbraw/zinc/12/21/16/170122116.db2.gz KFXYOWSUJKEVQH-VHSXEESVSA-N 1 0 214.309 0.215 10 0 BCAERO CC[NH2+]C[C@H](O)CN(C)CCc1ccncc1 ZINC000048259933 170122202 /nfs/dbraw/zinc/12/22/02/170122202.db2.gz XPSBFRVFUILTNH-ZDUSSCGKSA-N 1 0 237.347 0.526 10 0 BCAERO CC[NH2+]C[C@H]1CCCN1c1nccn(C)c1=O ZINC000061752638 170123045 /nfs/dbraw/zinc/12/30/45/170123045.db2.gz JBZWKSWMVFSQTR-SNVBAGLBSA-N 1 0 236.319 0.359 10 0 BCAERO CC[NH2+]Cc1cccc(OC)c1OCC(N)=O ZINC000020872526 170128632 /nfs/dbraw/zinc/12/86/32/170128632.db2.gz PVPAMAZKKKHPLQ-UHFFFAOYSA-N 1 0 238.287 0.669 10 0 BCAERO CC[NH2+]Cc1ccccc1N(C)CC(=O)NC ZINC000037271316 170128640 /nfs/dbraw/zinc/12/86/40/170128640.db2.gz GHKWBRDISMYIBF-UHFFFAOYSA-N 1 0 235.331 0.978 10 0 BCAERO CC[NH2+]Cc1nnnn1-c1cccc(F)c1 ZINC000054744169 170131651 /nfs/dbraw/zinc/13/16/51/170131651.db2.gz CPXIUJZTRAKMSG-UHFFFAOYSA-N 1 0 221.239 0.911 10 0 BCAERO CCNS(=O)(=O)c1ccc(C[NH3+])s1 ZINC000034975263 170136818 /nfs/dbraw/zinc/13/68/18/170136818.db2.gz KTCNODDVHPIAEZ-UHFFFAOYSA-N 1 0 220.319 0.505 10 0 BCAERO CCNS(=O)(=O)c1ccc(CCC[NH3+])cc1 ZINC000020269674 170137314 /nfs/dbraw/zinc/13/73/14/170137314.db2.gz KTOCCNDOWKAWNV-UHFFFAOYSA-N 1 0 242.344 0.876 10 0 BCAERO CC[NH2+][C@@H](C(N)=O)c1ccc2c(c1)OCO2 ZINC000037447698 170138169 /nfs/dbraw/zinc/13/81/69/170138169.db2.gz GQXGUHVOHDSHBM-SNVBAGLBSA-N 1 0 222.244 0.551 10 0 BCAERO CCN[C@@H](CC[N@H+]1C[C@H](C)C[C@H](C)C1)C(N)=O ZINC000062439394 170145130 /nfs/dbraw/zinc/14/51/30/170145130.db2.gz JTUXEBBWONDJIG-TUAOUCFPSA-N 1 0 241.379 0.818 10 0 BCAERO CC[NH2+][C@@H]1CCN(CCc2ccccn2)C1=O ZINC000049648574 170152285 /nfs/dbraw/zinc/15/22/85/170152285.db2.gz AVBFMVSIBYQFER-GFCCVEGCSA-N 1 0 233.315 0.835 10 0 BCAERO CC[NH2+][C@@]1(C(N)=O)CCOc2ccccc21 ZINC000037869470 170156165 /nfs/dbraw/zinc/15/61/65/170156165.db2.gz VXKLDRPYFUILJU-LBPRGKRZSA-N 1 0 220.272 0.759 10 0 BCAERO CC[NH2+][C@H](C)Cc1nnc2ncccn12 ZINC000061212787 170158749 /nfs/dbraw/zinc/15/87/49/170158749.db2.gz MYPIUKNJGVNGQJ-MRVPVSSYSA-N 1 0 205.265 0.665 10 0 BCAERO CC[NH2+][C@H]1CCC2(C[C@H]1OC)OCCO2 ZINC000044042688 170166305 /nfs/dbraw/zinc/16/63/05/170166305.db2.gz WULIJUPTXDETFN-VHSXEESVSA-N 1 0 215.293 0.907 10 0 BCAERO CC[NH2+][C@H]1CCN(Cc2nccs2)C1=O ZINC000049660143 170167468 /nfs/dbraw/zinc/16/74/68/170167468.db2.gz SUSSQNHDVMDVEZ-QMMMGPOBSA-N 1 0 225.317 0.854 10 0 BCAERO CC[NH2+][C@H]1CCN(C[C@@H]2COCCO2)C[C@@H]1C ZINC000049713104 170167570 /nfs/dbraw/zinc/16/75/70/170167570.db2.gz ZNIXMURKOYNMDG-XQQFMLRXSA-N 1 0 242.363 0.722 10 0 BCAERO CC[NH2+][C@H]1CCN(CCc2ccncc2)C1=O ZINC000049648838 170167631 /nfs/dbraw/zinc/16/76/31/170167631.db2.gz LHIFSCHWYYLUJS-LBPRGKRZSA-N 1 0 233.315 0.835 10 0 BCAERO CCNc1ncccc1C(=O)N[C@H]1CC[N@H+](C)C1 ZINC000050786347 170178111 /nfs/dbraw/zinc/17/81/11/170178111.db2.gz QUAIVGPSDNCJOD-JTQLQIEISA-N 1 0 248.330 0.947 10 0 BCAERO COC[C@@H](CC[NH2+]Cc1cnn(C)c1C)OC ZINC000657553769 411549241 /nfs/dbraw/zinc/54/92/41/411549241.db2.gz MDUXOTUSKWEZIR-GFCCVEGCSA-N 1 0 241.335 0.870 10 0 BCAERO CCOC(=O)C1(N2CC[NH2+]CC2)CCOCC1 ZINC000037964204 170190556 /nfs/dbraw/zinc/19/05/56/170190556.db2.gz COZHZQGAVMMIEW-UHFFFAOYSA-N 1 0 242.319 0.004 10 0 BCAERO CCOC(=O)CC[NH2+]C[C@H]1CCCOC1 ZINC000038045575 170209157 /nfs/dbraw/zinc/20/91/57/170209157.db2.gz CBYAUSDSMLKOBX-SNVBAGLBSA-N 1 0 215.293 0.956 10 0 BCAERO CCOC(=O)CN(C)[C@@H]1CCC[NH2+]CC1 ZINC000226468335 170216092 /nfs/dbraw/zinc/21/60/92/170216092.db2.gz VVWIXMOBMKCAGN-SNVBAGLBSA-N 1 0 214.309 0.623 10 0 BCAERO CCOC(=O)CN(C[C@@H](C[NH3+])OCC)C1CC1 ZINC000103924344 170218288 /nfs/dbraw/zinc/21/82/88/170218288.db2.gz IPHHWJORMCIWIJ-LLVKDONJSA-N 1 0 244.335 0.378 10 0 BCAERO CCOC(=O)CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000023249660 170220612 /nfs/dbraw/zinc/22/06/12/170220612.db2.gz PDAQKVPTIJIDRD-SNVBAGLBSA-N 1 0 212.293 0.330 10 0 BCAERO CCOC(=O)CN[C@@H]1C[NH+]2CCC1CC2 ZINC000020071030 170225999 /nfs/dbraw/zinc/22/59/99/170225999.db2.gz BDGFPHAVIRQEJT-SNVBAGLBSA-N 1 0 212.293 0.233 10 0 BCAERO CCOC(=O)N1CC[NH+](CCC(N)=S)CC1 ZINC000041296322 170239658 /nfs/dbraw/zinc/23/96/58/170239658.db2.gz NEUAYJMVOBNHCW-UHFFFAOYSA-N 1 0 245.348 0.437 10 0 BCAERO CCOC(=O)[C@@H](N)C[N@H+](C)CCC(C)C ZINC000045427612 170252600 /nfs/dbraw/zinc/25/26/00/170252600.db2.gz RHPPEDKNNZFQGJ-JTQLQIEISA-N 1 0 216.325 0.855 10 0 BCAERO CCOC(=O)[C@@H](N)C[NH+]1CCCCC1 ZINC000045378142 170252680 /nfs/dbraw/zinc/25/26/80/170252680.db2.gz SVAYQQCJIANBEA-VIFPVBQESA-N 1 0 200.282 0.363 10 0 BCAERO CCOC(=O)[C@@H](N)C[N@H+](C)CC1CC1 ZINC000045419860 170252838 /nfs/dbraw/zinc/25/28/38/170252838.db2.gz QZLXSLMHBRJQMS-VIFPVBQESA-N 1 0 200.282 0.219 10 0 BCAERO COC[C@@H](C)[NH2+]CCCc1cncn1C ZINC000313937867 411560299 /nfs/dbraw/zinc/56/02/99/411560299.db2.gz DWODQBVBKGGDOZ-SNVBAGLBSA-N 1 0 211.309 0.977 10 0 BCAERO CCOC(=O)[C@H](CC)N1CC[NH2+]C[C@@H]1C ZINC000077004726 170271339 /nfs/dbraw/zinc/27/13/39/170271339.db2.gz MBVRDYAUDBUAGP-UWVGGRQHSA-N 1 0 214.309 0.622 10 0 BCAERO CCOC(=O)[C@H](CC[N@@H+]1CCCOCC1)NC ZINC000062533295 170272521 /nfs/dbraw/zinc/27/25/21/170272521.db2.gz KBBSXIZPFISCJM-NSHDSACASA-N 1 0 244.335 0.250 10 0 BCAERO CCOC(=O)[C@H](CCN(C)CC[NH+](C)C)NC ZINC000104194689 170272881 /nfs/dbraw/zinc/27/28/81/170272881.db2.gz AUOVVZBNEUJLNZ-NSHDSACASA-N 1 0 245.367 0.021 10 0 BCAERO CCOC(=O)[C@H](N)CC[NH+]1CCCC1 ZINC000062439992 170273623 /nfs/dbraw/zinc/27/36/23/170273623.db2.gz FDELSFKEIBWYQV-SECBINFHSA-N 1 0 200.282 0.363 10 0 BCAERO CCOC(=O)[C@H](N)C[NH+]1CCCCCC1 ZINC000045377346 170275159 /nfs/dbraw/zinc/27/51/59/170275159.db2.gz OVNZWLCLFGOMPN-SNVBAGLBSA-N 1 0 214.309 0.753 10 0 BCAERO CCOC(=O)[C@H](c1cccnc1)N1CC[NH2+]CC1 ZINC000037964175 170278776 /nfs/dbraw/zinc/27/87/76/170278776.db2.gz OEBCIQDIEODOOK-LBPRGKRZSA-N 1 0 249.314 0.591 10 0 BCAERO CCOC(=O)[C@H]1CCCCN1C(=O)[C@H](C)[NH3+] ZINC000037825309 170280232 /nfs/dbraw/zinc/28/02/32/170280232.db2.gz CNRWCSCPSUIUSW-DTWKUNHWSA-N 1 0 228.292 0.278 10 0 BCAERO CCOC(=O)[C@H]1CCCCN1C(=O)CCC[NH3+] ZINC000037825319 170280244 /nfs/dbraw/zinc/28/02/44/170280244.db2.gz SKKRYBKPERUVEK-SNVBAGLBSA-N 1 0 242.319 0.670 10 0 BCAERO CCOC(=O)[C@H]1SC(=[NH2+])N(N)[C@H]1C ZINC000039085229 170282620 /nfs/dbraw/zinc/28/26/20/170282620.db2.gz FJIZHFAPXZUDEL-WHFBIAKZSA-N 1 0 203.267 0.164 10 0 BCAERO CCOC(=O)[C@]1(NC)C[NH+]2CCC1CC2 ZINC000037458943 170285885 /nfs/dbraw/zinc/28/58/85/170285885.db2.gz FCUMPGFJHDYVJO-NSHDSACASA-N 1 0 212.293 0.233 10 0 BCAERO CCOCCCNC(=O)[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000019507924 170379038 /nfs/dbraw/zinc/37/90/38/170379038.db2.gz MSIPALYPMGQMRQ-MNOVXSKESA-N 1 0 228.336 0.917 10 0 BCAERO CCOCCC[NH2+][C@@H](C)C(=O)NCCOC ZINC000034937633 170381853 /nfs/dbraw/zinc/38/18/53/170381853.db2.gz DVIUPUGDRGYLQZ-JTQLQIEISA-N 1 0 232.324 0.154 10 0 BCAERO CCOCCC[NH2+][C@H]1CCC(=O)N[C@H]1C ZINC000309054296 170383467 /nfs/dbraw/zinc/38/34/67/170383467.db2.gz SSBJZUOMTNDHQS-UWVGGRQHSA-N 1 0 214.309 0.670 10 0 BCAERO CCOC(=O)[C@@H]1C[N@@H+](C(C)C)CCN1 ZINC000259837489 411569854 /nfs/dbraw/zinc/56/98/54/411569854.db2.gz PEOOCLYMXMLNCT-VIFPVBQESA-N 1 0 200.282 0.232 10 0 BCAERO CC[N@@H+]1CC[C@@H](Nc2nccn3cnnc23)C1 ZINC000389337521 411635056 /nfs/dbraw/zinc/63/50/56/411635056.db2.gz RJMLFXGQTBRNQL-SECBINFHSA-N 1 0 232.291 0.630 10 0 BCAERO CCn1ccnc(N[C@H]2CC[N@H+](CC)C2)c1=O ZINC000389420688 411636189 /nfs/dbraw/zinc/63/61/89/411636189.db2.gz VISRHPHDSXFKHG-JTQLQIEISA-N 1 0 236.319 0.769 10 0 BCAERO CCOCCOC[C@H](O)C[NH2+]C[C@H]1CCOC1 ZINC000038094409 170420222 /nfs/dbraw/zinc/42/02/22/170420222.db2.gz SQAYHMZSCGEWQY-VXGBXAGGSA-N 1 0 247.335 0.027 10 0 BCAERO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC(=O)N(C)C2)[C@@H](C)O1 ZINC000657695823 411581058 /nfs/dbraw/zinc/58/10/58/411581058.db2.gz BVGKIWRXOIGZRH-ZNSHCXBVSA-N 1 0 226.320 0.620 10 0 BCAERO CN1C[C@@H](C[NH2+]Cc2ccco2)CC1=O ZINC000657694721 411581126 /nfs/dbraw/zinc/58/11/26/411581126.db2.gz PVRADANOKPWNEF-SECBINFHSA-N 1 0 208.261 0.848 10 0 BCAERO Cc1n[nH]c(C)c1C[NH2+]C[C@H]1CC(=O)N(C)C1 ZINC000657697266 411582090 /nfs/dbraw/zinc/58/20/90/411582090.db2.gz ODYDTQODQGHILH-SNVBAGLBSA-N 1 0 236.319 0.594 10 0 BCAERO COc1cccc(C[NH2+]C[C@H]2CC(=O)N(C)C2)n1 ZINC000657694294 411582683 /nfs/dbraw/zinc/58/26/83/411582683.db2.gz CBRCHUHXOSEJDK-SNVBAGLBSA-N 1 0 249.314 0.658 10 0 BCAERO CCO[C@@H]1C[C@@H]1C(=O)NCC[C@H](C)[NH3+] ZINC000246568882 170486450 /nfs/dbraw/zinc/48/64/50/170486450.db2.gz BEZYVTSJWXBOPF-XHNCKOQMSA-N 1 0 200.282 0.265 10 0 BCAERO CCO[C@@H]1C[C@H]1C(=O)N1CCC[C@@H](C[NH2+]C)C1 ZINC000236861163 170492856 /nfs/dbraw/zinc/49/28/56/170492856.db2.gz JTAYBUUXGBUWGY-QJPTWQEYSA-N 1 0 240.347 0.869 10 0 BCAERO c1cc2c(ncnc2NC[C@H]2COCC[NH2+]2)[nH]1 ZINC000630533686 411701244 /nfs/dbraw/zinc/70/12/44/411701244.db2.gz VUBQUMCBGLWKGU-QMMMGPOBSA-N 1 0 233.275 0.358 10 0 BCAERO c1cc2c(ncnc2NC[C@@H]2CC[NH2+]C2)[nH]1 ZINC000643025343 411701347 /nfs/dbraw/zinc/70/13/47/411701347.db2.gz HZKQBTVQXRSQIH-MRVPVSSYSA-N 1 0 217.276 0.979 10 0 BCAERO CC[C@@H]1[NH2+]CC[C@H]1Nc1ccc2nnnn2n1 ZINC000630529453 411742462 /nfs/dbraw/zinc/74/24/62/411742462.db2.gz VDVGUWGALGOOMV-JGVFFNPUSA-N 1 0 233.279 0.072 10 0 BCAERO CCOc1cncc(N(C)[C@@H]2CC[NH2+]C2)n1 ZINC000070580152 170600855 /nfs/dbraw/zinc/60/08/55/170600855.db2.gz KXEIAJWOYQHLMQ-SECBINFHSA-N 1 0 222.292 0.673 10 0 BCAERO CCOc1cncc(N[C@@H]2CC[NH2+]C2)n1 ZINC000070580098 170601590 /nfs/dbraw/zinc/60/15/90/170601590.db2.gz DGSSXLDNHVXBAL-MRVPVSSYSA-N 1 0 208.265 0.649 10 0 BCAERO Cc1nccnc1NCCOCCC[NH3+] ZINC000630537306 411790018 /nfs/dbraw/zinc/79/00/18/411790018.db2.gz LVLBKSLOUBDXGH-UHFFFAOYSA-N 1 0 210.281 0.562 10 0 BCAERO CCOc1nccnc1N[C@H](C)C[C@@H](C)[NH3+] ZINC000578132250 411720750 /nfs/dbraw/zinc/72/07/50/411720750.db2.gz UUBKVQHRUCYKPT-RKDXNWHRSA-N 1 0 224.308 1.413 10 0 BCAERO CC(C)n1nnnc1C[NH2+][C@@H](CO)C1CCC1 ZINC000661152586 411721232 /nfs/dbraw/zinc/72/12/32/411721232.db2.gz AKRHXRYJDPUTCC-JTQLQIEISA-N 1 0 239.323 0.505 10 0 BCAERO Cc1[nH+]ccc(N[C@@H]2CCNC2=O)c1Cl ZINC000664133209 411864880 /nfs/dbraw/zinc/86/48/80/411864880.db2.gz DWFRSTRQNHWVQL-MRVPVSSYSA-N 1 0 225.679 0.766 10 0 BCAERO OC[C@H]1COCC[N@@H+]1C[C@@H]1CCCOC1 ZINC000661564960 411804589 /nfs/dbraw/zinc/80/45/89/411804589.db2.gz KZIJABDNKWCNMB-QWRGUYRKSA-N 1 0 215.293 0.106 10 0 BCAERO CCn1ccnc(N[C@H]2CC[C@H](C)[NH2+]C2)c1=O ZINC000630533053 411813309 /nfs/dbraw/zinc/81/33/09/411813309.db2.gz NFPDWTLEGBPDGZ-UWVGGRQHSA-N 1 0 236.319 0.816 10 0 BCAERO CC[N@@H+]1CCO[C@H](c2c[nH]nc2N)CC1 ZINC000616686968 411856990 /nfs/dbraw/zinc/85/69/90/411856990.db2.gz NJBBGNRXMBJHJY-VIFPVBQESA-N 1 0 210.281 0.775 10 0 BCAERO CC[N@@H+]1CCOC[C@H](c2c[nH]nc2N)C1 ZINC000616659287 411857372 /nfs/dbraw/zinc/85/73/72/411857372.db2.gz IJGANNOMQQPBGE-MRVPVSSYSA-N 1 0 210.281 0.428 10 0 BCAERO CC[N@@H+]1CCO[C@@H](c2c[nH]nc2N)CC1 ZINC000616593979 411858541 /nfs/dbraw/zinc/85/85/41/411858541.db2.gz NJBBGNRXMBJHJY-SECBINFHSA-N 1 0 210.281 0.775 10 0 BCAERO C[N@@H+]1[C@@H]2CC[C@H]1CC(=O)N(c1ccc(N)nc1)C2 ZINC000584641109 411896632 /nfs/dbraw/zinc/89/66/32/411896632.db2.gz FCOTXAQYGLGYRP-GXSJLCMTSA-N 1 0 246.314 0.863 10 0 BCAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)NCC1(CO)CC1 ZINC000133740378 411927103 /nfs/dbraw/zinc/92/71/03/411927103.db2.gz LCWGCYHUCKDMIV-NXEZZACHSA-N 1 0 226.320 0.250 10 0 BCAERO Nc1ccn([C@H]2CCCC[N@H+](CCO)C2)n1 ZINC000616604377 411966352 /nfs/dbraw/zinc/96/63/52/411966352.db2.gz MWLOCJHBUKDLPH-JTQLQIEISA-N 1 0 224.308 0.485 10 0 BCAERO Nc1n[nH]cc1[C@H]1CCCCC[N@@H+]1CCO ZINC000616623013 411986081 /nfs/dbraw/zinc/98/60/81/411986081.db2.gz KXAZQZJADKRJRY-SNVBAGLBSA-N 1 0 224.308 0.901 10 0 BCAERO C[C@H]1C[N@H+](CC(C)(C)O)C[C@]1(C)CO ZINC000662133939 411997872 /nfs/dbraw/zinc/99/78/72/411997872.db2.gz HIUHRRBZXYZPTF-GXSJLCMTSA-N 1 0 201.310 0.708 10 0 BCAERO Nc1ccc([C@H]2CC[N@H+](CCO)CCO2)cn1 ZINC000616595098 411959596 /nfs/dbraw/zinc/95/95/96/411959596.db2.gz JVAXIXGAFGBVIP-LLVKDONJSA-N 1 0 237.303 0.420 10 0 BCAERO C[C@@H]1CN(C[C@@H]2CCC3(C[NH2+]C3)O2)C[C@@H](C)O1 ZINC000662249429 412047803 /nfs/dbraw/zinc/04/78/03/412047803.db2.gz NKSROFQFLVWHMF-UTUOFQBUSA-N 1 0 240.347 0.617 10 0 BCAERO C[C@@H]1COC[C@@H](C)N1C[C@@H]1C[NH2+]CCO1 ZINC000662254882 412049007 /nfs/dbraw/zinc/04/90/07/412049007.db2.gz BQUKXQAXVCFXCH-MXWKQRLJSA-N 1 0 214.309 0.084 10 0 BCAERO C[C@@H]1COC[C@@H](C)N1C[C@H]1C[NH2+]CCO1 ZINC000662254881 412049145 /nfs/dbraw/zinc/04/91/45/412049145.db2.gz BQUKXQAXVCFXCH-GMTAPVOTSA-N 1 0 214.309 0.084 10 0 BCAERO CC[C@@H]1CC[C@@H](O)[C@H](C[NH+](CCO)CCO)C1 ZINC000053884726 171042587 /nfs/dbraw/zinc/04/25/87/171042587.db2.gz RBLPSMFPRBJLAO-FRRDWIJNSA-N 1 0 245.363 0.460 10 0 BCAERO CC[C@@H]1CN(C(=O)[C@@H]2C[NH2+]C[C@H]2C)CCO1 ZINC000233949004 171067863 /nfs/dbraw/zinc/06/78/63/171067863.db2.gz JKQLYXONEJXKCO-GMTAPVOTSA-N 1 0 226.320 0.479 10 0 BCAERO CC[C@@H]1CN(CCn2cc(N)cn2)CC[N@@H+]1C ZINC000104129540 171084580 /nfs/dbraw/zinc/08/45/80/171084580.db2.gz ZEMIQABTGXSPNF-GFCCVEGCSA-N 1 0 237.351 0.491 10 0 BCAERO CC[C@@H]1COCCN1C(=O)[C@H]1CC[NH2+]C1 ZINC000062113043 171103986 /nfs/dbraw/zinc/10/39/86/171103986.db2.gz XSNKGEIPGBFAQX-VHSXEESVSA-N 1 0 212.293 0.233 10 0 BCAERO CC[C@@H]1COCCN1C(=O)[C@H]([NH3+])C(C)C ZINC000036326573 171104680 /nfs/dbraw/zinc/10/46/80/171104680.db2.gz HWUQIACWGDVUMQ-NXEZZACHSA-N 1 0 214.309 0.607 10 0 BCAERO CC[C@@H]1COCCN1[C@]1(C[NH3+])CCSC1 ZINC000036325935 171107954 /nfs/dbraw/zinc/10/79/54/171107954.db2.gz VEWBYKDEVRGKPF-MNOVXSKESA-N 1 0 230.377 0.932 10 0 BCAERO CC[C@@H]1CSC(N[C@H](C)C(N)=O)=N1 ZINC000035796436 171114682 /nfs/dbraw/zinc/11/46/82/171114682.db2.gz UJIIWBAEPQHVTB-PHDIDXHHSA-N 1 0 201.295 0.331 10 0 BCAERO CC(C)(C)[C@H](O)CNC(=O)CC[C@H]1CC[NH2+]C1 ZINC000324480425 487621716 /nfs/dbraw/zinc/62/17/16/487621716.db2.gz CRYKPCBDVATPQJ-WDEREUQCSA-N 1 0 242.363 0.899 10 0 BCAERO CC[C@@](C)(C[NH3+])[C@@H]1CCS(=O)(=O)C1 ZINC000054637131 171166804 /nfs/dbraw/zinc/16/68/04/171166804.db2.gz NOOHQFKGYIVHTO-BDAKNGLRSA-N 1 0 205.323 0.796 10 0 BCAERO CC[C@@](C)(O)C[N@@H+]1CCC[C@@](C)(O)C1 ZINC000119430811 171177099 /nfs/dbraw/zinc/17/70/99/171177099.db2.gz BIGZUMRVOYSXFA-GHMZBOCLSA-N 1 0 201.310 0.994 10 0 BCAERO CC[C@@]1(C(=O)N2CCCC[C@H]2CO)CC[NH2+]C1 ZINC000062891025 171194053 /nfs/dbraw/zinc/19/40/53/171194053.db2.gz XSRWOAVVZILHGJ-WCQYABFASA-N 1 0 240.347 0.750 10 0 BCAERO CC[C@@]1(C(=O)NCCC(=O)NC)CCC[NH2+]C1 ZINC000062860457 171195908 /nfs/dbraw/zinc/19/59/08/171195908.db2.gz JTTDVYDLQXXOJL-GFCCVEGCSA-N 1 0 241.335 0.019 10 0 BCAERO CC[C@@]1(C)NC(=O)N(C[C@@H]2CC[NH2+]C2)C1=O ZINC000051890250 171209377 /nfs/dbraw/zinc/20/93/77/171209377.db2.gz SCDVPUBQWFBUBR-LDYMZIIASA-N 1 0 225.292 0.316 10 0 BCAERO CC[C@H](C(N)=O)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000070823034 171242736 /nfs/dbraw/zinc/24/27/36/171242736.db2.gz IXRIHYZAHPWPQE-NXEZZACHSA-N 1 0 213.325 0.134 10 0 BCAERO CC[C@H](C)[N@H+](CC)C[C@H](O)Cn1cc(N)cn1 ZINC000037112144 171312708 /nfs/dbraw/zinc/31/27/08/171312708.db2.gz OSNKJQLVVAJDRD-JQWIXIFHSA-N 1 0 240.351 0.947 10 0 BCAERO CC[C@H](C)NC(=O)CC[NH2+]C[C@H]1CCOC1 ZINC000038013796 171322168 /nfs/dbraw/zinc/32/21/68/171322168.db2.gz QFCRXHQNAYRHBW-WDEREUQCSA-N 1 0 228.336 0.917 10 0 BCAERO CC[C@H](C)NC(=O)CC[NH2+][C@@H](C)C(=O)N(C)C ZINC000038014862 171322940 /nfs/dbraw/zinc/32/29/40/171322940.db2.gz KKZLQVRZGINEBG-UWVGGRQHSA-N 1 0 243.351 0.358 10 0 BCAERO CC[C@H](C)NC(=O)C[NH2+][C@H](C)COC ZINC000020041806 171326319 /nfs/dbraw/zinc/32/63/19/171326319.db2.gz ZGSXCVUBHIXTQY-DTWKUNHWSA-N 1 0 202.298 0.526 10 0 BCAERO CC[C@H](C)NC(=O)CNCC[NH+](CC)CC ZINC000020050446 171326335 /nfs/dbraw/zinc/32/63/35/171326335.db2.gz YGYXIUJODVSWNR-NSHDSACASA-N 1 0 229.368 0.833 10 0 BCAERO CC[C@H](C)NC(=O)C[NH2+][C@@H]1CN2CCC1CC2 ZINC000020070647 171326453 /nfs/dbraw/zinc/32/64/53/171326453.db2.gz PQKTXAKUWATJSB-CMPLNLGQSA-N 1 0 239.363 0.585 10 0 BCAERO CC[C@H](C)NC(=O)C[NH2+][C@@H](C)COC ZINC000020041800 171326922 /nfs/dbraw/zinc/32/69/22/171326922.db2.gz ZGSXCVUBHIXTQY-IUCAKERBSA-N 1 0 202.298 0.526 10 0 BCAERO CC[C@H](C)NC(=O)[C@H](C)N1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000234017241 171334793 /nfs/dbraw/zinc/33/47/93/171334793.db2.gz ASJCBHRYNZBNSD-RCWTZXSCSA-N 1 0 227.352 0.569 10 0 BCAERO CC[C@H](C)[NH2+][C@@H]1CC(=O)N(C(C)C)C1=O ZINC000102665203 171346585 /nfs/dbraw/zinc/34/65/85/171346585.db2.gz OHDVPOLUDXJNQX-DTWKUNHWSA-N 1 0 212.293 0.910 10 0 BCAERO CC[C@H](C)[NH2+][C@H](C)C(=O)NC(=O)NC ZINC000020303023 171347661 /nfs/dbraw/zinc/34/76/61/171347661.db2.gz RPJKYTJCTABAQI-NKWVEPMBSA-N 1 0 201.270 0.219 10 0 BCAERO CC[C@H](C)[C@@H]([NH3+])C(=O)N(C)CC[NH2+]C ZINC000069803211 171369461 /nfs/dbraw/zinc/36/94/61/171369461.db2.gz GGULXHLERNTQFO-DTWKUNHWSA-N 1 0 201.314 0.038 10 0 BCAERO CC[C@H](C)[C@@H]([NH3+])C(=O)NCc1c[nH]nc1C ZINC000038012111 171370537 /nfs/dbraw/zinc/37/05/37/171370537.db2.gz BGWSJJQJYQOSJE-OIBJUYFYSA-N 1 0 224.308 0.708 10 0 BCAERO CC[C@H](C)[C@@H](NC(=O)C[NH2+]C1CC1)C(=O)OC ZINC000037395086 171373239 /nfs/dbraw/zinc/37/32/39/171373239.db2.gz HRHHYAXHXWHOIT-GZMMTYOYSA-N 1 0 242.319 0.442 10 0 BCAERO CC[C@H](C)[C@H](CO)[N@@H+]1CCC[NH2+]CC1 ZINC000041050531 171393647 /nfs/dbraw/zinc/39/36/47/171393647.db2.gz XNFBRFYSJPUMIH-QWRGUYRKSA-N 1 0 200.326 0.689 10 0 BCAERO CC[C@H](C)[C@H]([NH3+])C(=O)N1CCN(C)[C@@H](CC)C1 ZINC000104140185 171393900 /nfs/dbraw/zinc/39/39/00/171393900.db2.gz MWBOMKYVSLPQHK-SRVKXCTJSA-N 1 0 241.379 0.912 10 0 BCAERO Cc1cc(CC(=O)N2CCC[C@H]([NH3+])C2)on1 ZINC000662387451 412140579 /nfs/dbraw/zinc/14/05/79/412140579.db2.gz IIWBSXBXWITKHE-VIFPVBQESA-N 1 0 223.276 0.475 10 0 BCAERO CC(=O)N[C@H]1CCN(C(=O)C[C@H]([NH3+])C(C)C)C1 ZINC000134199347 412124972 /nfs/dbraw/zinc/12/49/72/412124972.db2.gz SWIDZHVXWSXQPO-QWRGUYRKSA-N 1 0 241.335 0.097 10 0 BCAERO O=C(C[C@H]1CC[NH2+]C1)NC[C@H]1CCCC[C@H]1O ZINC000662488925 412192857 /nfs/dbraw/zinc/19/28/57/412192857.db2.gz AQPCBMHMVINJOX-IJLUTSLNSA-N 1 0 240.347 0.653 10 0 BCAERO C[C@H](CCCC[NH3+])Nc1ccc(C#N)nn1 ZINC000397037640 412196270 /nfs/dbraw/zinc/19/62/70/412196270.db2.gz GVOLUSDGRJKHDQ-SECBINFHSA-N 1 0 219.292 1.278 10 0 BCAERO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1C(=O)N1CCC[C@@H]1C[NH3+] ZINC000087244949 487622530 /nfs/dbraw/zinc/62/25/30/487622530.db2.gz WEARYNLDVSXQAB-IYKVGLELSA-N 1 0 240.347 0.996 10 0 BCAERO O=C(C[C@H]1CC[NH2+]C1)NC[C@H]1CCC[C@H]1O ZINC000662527820 412205309 /nfs/dbraw/zinc/20/53/09/412205309.db2.gz QOLAQUTWPCLNNS-GMTAPVOTSA-N 1 0 226.320 0.263 10 0 BCAERO Cc1c(CN2CCO[C@@H]([C@@H](C)[NH3+])C2)cnn1C ZINC000132629325 412151633 /nfs/dbraw/zinc/15/16/33/412151633.db2.gz OFMSKOFGGAWPDW-BXKDBHETSA-N 1 0 238.335 0.277 10 0 BCAERO C[C@H](C[C@H]1CCCCC[NH2+]1)N[C@@H]1CCNC1=O ZINC000665229279 412168345 /nfs/dbraw/zinc/16/83/45/412168345.db2.gz UOPOVFSOTBAPJY-IJLUTSLNSA-N 1 0 239.363 0.775 10 0 BCAERO C[C@H]1CC[C@@H](Nc2ccc3nnnn3n2)C[NH2+]1 ZINC000630534360 412260347 /nfs/dbraw/zinc/26/03/47/412260347.db2.gz KBEBRBQGMRUSMB-JGVFFNPUSA-N 1 0 233.279 0.072 10 0 BCAERO CN(CC1=CCCOC1)C(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000662663332 412262247 /nfs/dbraw/zinc/26/22/47/412262247.db2.gz ZMXPWCCBTDYBOG-WDEREUQCSA-N 1 0 242.294 0.492 10 0 BCAERO CC(C)C(=O)Nc1ccn([C@@H]2CC[NH2+]C2)n1 ZINC000390368524 412263967 /nfs/dbraw/zinc/26/39/67/412263967.db2.gz ZQQTZIABRUEYJO-SECBINFHSA-N 1 0 222.292 1.012 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)N1CC[C@@H]2COC[C@@H]2C1 ZINC000662710118 412278128 /nfs/dbraw/zinc/27/81/28/412278128.db2.gz GQYVGJMGDAESLG-GRYCIOLGSA-N 1 0 240.347 0.855 10 0 BCAERO O=C(NCC12CC(C1)C[NH2+]2)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000662715819 412281104 /nfs/dbraw/zinc/28/11/04/412281104.db2.gz MQFYIXKDHACGPH-ISVGESTQSA-N 1 0 220.316 0.901 10 0 BCAERO CC[C@H]1CCN(CCS(C)(=O)=O)CCC[NH2+]1 ZINC000049662681 171631204 /nfs/dbraw/zinc/63/12/04/171631204.db2.gz TYIDSLUVCFKUGB-NSHDSACASA-N 1 0 248.392 0.495 10 0 BCAERO CCC[C@H]([NH3+])C(=O)NCC[C@H](COC)OC ZINC000662617634 412242975 /nfs/dbraw/zinc/24/29/75/412242975.db2.gz OTUIKFYPHRNUEW-ZJUUUORDSA-N 1 0 232.324 0.282 10 0 BCAERO COC[C@H](CCNC(=O)C[C@@H]([NH3+])C(C)C)OC ZINC000662618773 412245159 /nfs/dbraw/zinc/24/51/59/412245159.db2.gz ZCYMXLIROGEUOV-WDEREUQCSA-N 1 0 246.351 0.528 10 0 BCAERO COC[C@@H](CCNC(=O)C[C@H]([NH3+])C(C)C)OC ZINC000662618771 412245162 /nfs/dbraw/zinc/24/51/62/412245162.db2.gz ZCYMXLIROGEUOV-MNOVXSKESA-N 1 0 246.351 0.528 10 0 BCAERO C[C@@H](CCNC(=O)[C@H]1CC(F)(F)CN1)[NH+](C)C ZINC000662635046 412251513 /nfs/dbraw/zinc/25/15/13/412251513.db2.gz UMYLPPCCWJNAPM-DTWKUNHWSA-N 1 0 249.305 0.440 10 0 BCAERO CCC[C@H]([NH3+])C(=O)NCCOCCF ZINC000663002375 412366218 /nfs/dbraw/zinc/36/62/18/412366218.db2.gz DXXYIZXEWWRLBK-QMMMGPOBSA-N 1 0 206.261 0.216 10 0 BCAERO C[C@H]1CN(C(=O)c2ncccc2N)C[C@@H]1[NH+](C)C ZINC000132821229 412306767 /nfs/dbraw/zinc/30/67/67/412306767.db2.gz JCQKYVKBDSQHMQ-ONGXEEELSA-N 1 0 248.330 0.686 10 0 BCAERO Cc1cc(C)nc(NCCOCCC[NH3+])n1 ZINC000630533230 412316947 /nfs/dbraw/zinc/31/69/47/412316947.db2.gz ADYUHTVRYXLDKC-UHFFFAOYSA-N 1 0 224.308 0.871 10 0 BCAERO [NH3+][C@@H]1CC[C@H](C(=O)N[C@@H](CO)C2CCC2)C1 ZINC000662848533 412320543 /nfs/dbraw/zinc/32/05/43/412320543.db2.gz BSODINOUSSFVOF-AXFHLTTASA-N 1 0 226.320 0.391 10 0 BCAERO [NH3+][C@@H]1CC[C@H](C(=O)NCCOCCF)C1 ZINC000663002043 412366741 /nfs/dbraw/zinc/36/67/41/412366741.db2.gz AVRLOPCKANRRFU-DTWKUNHWSA-N 1 0 218.272 0.216 10 0 BCAERO C[C@@H]1CCN(C(=O)[C@H]2C[NH2+]CCOC2)[C@H](C)C1 ZINC000662849379 412322079 /nfs/dbraw/zinc/32/20/79/412322079.db2.gz KHNNGTUUZZULFM-UTUOFQBUSA-N 1 0 240.347 0.869 10 0 BCAERO C[C@@]1(C(=O)NCCOCCF)CCCC[NH2+]1 ZINC000663002040 412366751 /nfs/dbraw/zinc/36/67/51/412366751.db2.gz AUWKNBNXWYPBIM-NSHDSACASA-N 1 0 232.299 0.621 10 0 BCAERO C[NH2+][C@H](C)C(=O)N1CCO[C@](C)(C(F)F)C1 ZINC000663001699 412366929 /nfs/dbraw/zinc/36/69/29/412366929.db2.gz IBJUUFGTQLQYRA-XCBNKYQSSA-N 1 0 236.262 0.477 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)NCC2([NH3+])CCCC2)O1 ZINC000662862580 412329866 /nfs/dbraw/zinc/32/98/66/412329866.db2.gz CGNREUCRVQUMNM-NXEZZACHSA-N 1 0 226.320 0.942 10 0 BCAERO CC[C@](C(N)=O)(C(C)C)N1CC[NH2+]CC1 ZINC000037945565 171689245 /nfs/dbraw/zinc/68/92/45/171689245.db2.gz BBXTYSJTJIENEP-LLVKDONJSA-N 1 0 213.325 0.182 10 0 BCAERO CC[C@@H]1CC[C@@H](C)N(C(=O)[C@H]2C[C@@H](O)C[NH2+]2)C1 ZINC000662889891 412337324 /nfs/dbraw/zinc/33/73/24/412337324.db2.gz PTMDNYRWDHRTRD-DDHJBXDOSA-N 1 0 240.347 0.746 10 0 BCAERO CC1(C)CC(NC(=O)[C@@H]2C[NH2+]CCOC2)C1 ZINC000662947685 412351458 /nfs/dbraw/zinc/35/14/58/412351458.db2.gz VUIVVZAIWSMPSD-SECBINFHSA-N 1 0 226.320 0.527 10 0 BCAERO CC[C@]1(C(=O)NCc2cc(C)on2)CC[NH2+]C1 ZINC000062902611 171711105 /nfs/dbraw/zinc/71/11/05/171711105.db2.gz MEHAQRFQZJLPMA-LBPRGKRZSA-N 1 0 237.303 0.989 10 0 BCAERO CCOCC(=O)N(C)[C@H](C[NH3+])C(F)(F)F ZINC000662976866 412354699 /nfs/dbraw/zinc/35/46/99/412354699.db2.gz RHKIKMMJETWFFI-ZCFIWIBFSA-N 1 0 228.214 0.371 10 0 BCAERO O=C(NCCOCCF)[C@H]1CCC[NH2+]C1 ZINC000663005564 412368040 /nfs/dbraw/zinc/36/80/40/412368040.db2.gz WHTQXJVKXWKGHM-VIFPVBQESA-N 1 0 218.272 0.088 10 0 BCAERO CC(C)C(=O)N(C)[C@H](C[NH3+])C(F)(F)F ZINC000662976847 412362053 /nfs/dbraw/zinc/36/20/53/412362053.db2.gz QSDXYXHNYBLHMK-ZCFIWIBFSA-N 1 0 212.215 0.990 10 0 BCAERO CN(C(=O)c1cnccn1)[C@@H](C[NH3+])C(F)(F)F ZINC000662982658 412362483 /nfs/dbraw/zinc/36/24/83/412362483.db2.gz WRHZKEAOWWSMBJ-ZETCQYMHSA-N 1 0 248.208 0.438 10 0 BCAERO Cc1c(C[NH3+])c(NC(=O)OC(C)(C)C)nn1C ZINC000575469938 412291298 /nfs/dbraw/zinc/29/12/98/412291298.db2.gz RCJQQPUSZODJRE-UHFFFAOYSA-N 1 0 240.307 1.534 10 0 BCAERO C[NH2+]CCOCCNc1nnc(C)s1 ZINC000630530109 412291937 /nfs/dbraw/zinc/29/19/37/412291937.db2.gz IBSXZPBQNQTSGS-UHFFFAOYSA-N 1 0 216.310 0.494 10 0 BCAERO C[NH2+]CCOCCNc1cc(C)nc(C)n1 ZINC000630530480 412292155 /nfs/dbraw/zinc/29/21/55/412292155.db2.gz LAENEOPJTUEIPL-UHFFFAOYSA-N 1 0 224.308 0.741 10 0 BCAERO C[NH2+]CCOCCNc1nccnc1C ZINC000630526725 412292384 /nfs/dbraw/zinc/29/23/84/412292384.db2.gz DYJRJSMCTJAWER-UHFFFAOYSA-N 1 0 210.281 0.433 10 0 BCAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)c1c(Cl)cnn1C ZINC000662778486 412300200 /nfs/dbraw/zinc/30/02/00/412300200.db2.gz MOLDDDXJYOQRGQ-HTRCEHHLSA-N 1 0 242.710 0.635 10 0 BCAERO C[C@H](CCO)[NH2+]C[C@H](O)COCc1ccco1 ZINC000133026452 412391593 /nfs/dbraw/zinc/39/15/93/412391593.db2.gz RSCKQRZPPODUDJ-MNOVXSKESA-N 1 0 243.303 0.518 10 0 BCAERO CC(C)(C[NH3+])C(=O)N[C@H]1CCC[C@H](O)C1 ZINC000133048307 412393776 /nfs/dbraw/zinc/39/37/76/412393776.db2.gz QFFILIBSRPEOFC-IUCAKERBSA-N 1 0 214.309 0.391 10 0 BCAERO Cc1cc(NCC23CC(C2)C[NH2+]3)n2ncnc2n1 ZINC000663273298 412404259 /nfs/dbraw/zinc/40/42/59/412404259.db2.gz DCPGSAFWYRCLSA-UHFFFAOYSA-N 1 0 244.302 0.597 10 0 BCAERO Cc1cnc(NCc2nc(C[NH3+])cc(=O)[nH]2)nc1 ZINC000663277916 412407290 /nfs/dbraw/zinc/40/72/90/412407290.db2.gz ZJJQRZOYNNOVIX-UHFFFAOYSA-N 1 0 246.274 0.351 10 0 BCAERO C[NH2+]C[C@H](C)Nc1nccn2c(C)nnc12 ZINC000663278882 412407333 /nfs/dbraw/zinc/40/73/33/412407333.db2.gz NSOVFKITZQXBCD-ZETCQYMHSA-N 1 0 220.280 0.453 10 0 BCAERO C[NH2+]C[C@H](C)Nc1nnnn1-c1ccccc1 ZINC000663280252 412408657 /nfs/dbraw/zinc/40/86/57/412408657.db2.gz GFVZOOXSODZWAS-VIFPVBQESA-N 1 0 232.291 0.104 10 0 BCAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)NCC1(CO)CC1 ZINC000133109496 412411202 /nfs/dbraw/zinc/41/12/02/412411202.db2.gz JZIWKYDWSMVTQR-RKDXNWHRSA-N 1 0 214.309 0.249 10 0 BCAERO Cc1noc(CCNC(=O)C[C@H]([NH3+])C(C)C)n1 ZINC000225810507 487623639 /nfs/dbraw/zinc/62/36/39/487623639.db2.gz RYIFQPPBOGBASH-VIFPVBQESA-N 1 0 240.307 0.410 10 0 BCAERO CCc1nc(CN(C(C)=O)[C@@H]2CC[NH2+]C2)no1 ZINC000083232679 171970480 /nfs/dbraw/zinc/97/04/80/171970480.db2.gz WCPLHSSJPUVSBT-SECBINFHSA-N 1 0 238.291 0.342 10 0 BCAERO CCc1[nH+]c2cc(N)ccc2n1CC(N)=O ZINC000052852234 172010334 /nfs/dbraw/zinc/01/03/34/172010334.db2.gz NACOXBVJMKVJEX-UHFFFAOYSA-N 1 0 218.260 0.666 10 0 BCAERO CCc1nccn1[C@H](C[NH3+])c1cnn(C)c1 ZINC000043232936 172030107 /nfs/dbraw/zinc/03/01/07/172030107.db2.gz ICJPDBAJUKEDDE-SNVBAGLBSA-N 1 0 219.292 0.727 10 0 BCAERO CCc1ncnc(N(C)CC[NH2+]C)c1F ZINC000234160824 172030361 /nfs/dbraw/zinc/03/03/61/172030361.db2.gz USUOXTQQMIUQJE-UHFFFAOYSA-N 1 0 212.272 0.834 10 0 BCAERO CCc1nn(C)cc1C(=O)N1CC[C@@H]([NH3+])[C@H]1C ZINC000336322390 172039047 /nfs/dbraw/zinc/03/90/47/172039047.db2.gz BRPGLXJTTRLGQP-PSASIEDQSA-N 1 0 236.319 0.544 10 0 BCAERO CCc1nn(C)cc1[C@@H]1[C@@H](C[NH3+])CC[N@@H+]1C ZINC000083040064 172043673 /nfs/dbraw/zinc/04/36/73/172043673.db2.gz JWTQRFVPBQQKOK-SKDRFNHKSA-N 1 0 222.336 0.934 10 0 BCAERO CCc1nn(C)cc1[C@H]1[C@@H](C[NH3+])CC[N@@H+]1C ZINC000083040065 172044287 /nfs/dbraw/zinc/04/42/87/172044287.db2.gz JWTQRFVPBQQKOK-BXKDBHETSA-N 1 0 222.336 0.934 10 0 BCAERO CCc1nnc(CN2CCC([NH3+])CC2)o1 ZINC000036754069 172048579 /nfs/dbraw/zinc/04/85/79/172048579.db2.gz SFHLTEKFFYSANX-UHFFFAOYSA-N 1 0 210.281 0.555 10 0 BCAERO CCc1nnc(C[NH2+][C@H](CCO)C(C)C)n1C ZINC000355052505 172052981 /nfs/dbraw/zinc/05/29/81/172052981.db2.gz JYWJSSJVSSQQRZ-SNVBAGLBSA-N 1 0 240.351 0.874 10 0 BCAERO CC(C)(C)[C@H](O)CNC(=O)[C@]1(C)CCC[NH2+]1 ZINC000324503216 487624048 /nfs/dbraw/zinc/62/40/48/487624048.db2.gz LGIGQIPKMIACJH-SKDRFNHKSA-N 1 0 228.336 0.652 10 0 BCAERO CCc1nsc(N2C[C@@H](C)[C@H]([NH3+])C2)n1 ZINC000261528577 172104640 /nfs/dbraw/zinc/10/46/40/172104640.db2.gz MGXYFTQUNYQZAA-RNFRBKRXSA-N 1 0 212.322 0.884 10 0 BCAERO CCn1c(C)nnc1[C@H]1C[C@@H](OC)C[NH2+]1 ZINC000042030097 172141762 /nfs/dbraw/zinc/14/17/62/172141762.db2.gz VNXKEAICDRUKTI-RKDXNWHRSA-N 1 0 210.281 0.656 10 0 BCAERO CCn1c(=O)[nH]nc1S[C@@H]1CC[NH2+]C1 ZINC000061606953 172147590 /nfs/dbraw/zinc/14/75/90/172147590.db2.gz UWMRXVBGWFIVQQ-ZCFIWIBFSA-N 1 0 214.294 0.045 10 0 BCAERO CCn1cc(C[C@H]([NH3+])c2ncccn2)cn1 ZINC000050542535 172177112 /nfs/dbraw/zinc/17/71/12/172177112.db2.gz XJXOBVYSXBLKTF-JTQLQIEISA-N 1 0 217.276 0.936 10 0 BCAERO O=C(c1ncc[nH]1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000383462726 487624238 /nfs/dbraw/zinc/62/42/38/487624238.db2.gz HMGOKNLIZKZJHN-VIFPVBQESA-N 1 0 220.276 0.330 10 0 BCAERO CCn1cc([C@@](O)(C[NH3+])C(F)(F)F)cn1 ZINC000062784817 172196216 /nfs/dbraw/zinc/19/62/16/172196216.db2.gz CTBZGUACIQHKMJ-ZETCQYMHSA-N 1 0 223.198 0.612 10 0 BCAERO CCn1cccc1C(=O)NC1CC([NH3+])C1 ZINC000036855656 172202476 /nfs/dbraw/zinc/20/24/76/172202476.db2.gz LHWUZJAFKKCGJZ-UHFFFAOYSA-N 1 0 207.277 0.728 10 0 BCAERO CCn1cccc1C[NH2+][C@@H](CO)CCOC ZINC000297033931 172209679 /nfs/dbraw/zinc/20/96/79/172209679.db2.gz XQAINAOXZILWCI-LLVKDONJSA-N 1 0 226.320 0.995 10 0 BCAERO CCn1ccnc(N2CC[C@H]3C[NH2+]C[C@H]32)c1=O ZINC000061767389 172210467 /nfs/dbraw/zinc/21/04/67/172210467.db2.gz LSQGFSCREIEKTD-VHSXEESVSA-N 1 0 234.303 0.061 10 0 BCAERO CCn1ccnc(NC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1=O ZINC000061767707 172211392 /nfs/dbraw/zinc/21/13/92/172211392.db2.gz UPNIBRBAOWDSDL-ZACCUICWSA-N 1 0 248.330 0.958 10 0 BCAERO CCn1ccnc(NC[C@H]2CCCC[NH2+]2)c1=O ZINC000061767894 172212509 /nfs/dbraw/zinc/21/25/09/172212509.db2.gz JUBQJHVZCXFZAY-SNVBAGLBSA-N 1 0 236.319 0.817 10 0 BCAERO CCn1ccnc1N1CCO[C@H](C[NH3+])C1 ZINC000050607972 172226866 /nfs/dbraw/zinc/22/68/66/172226866.db2.gz JFESNFLRFGSYHF-SECBINFHSA-N 1 0 210.281 0.067 10 0 BCAERO CCn1cc[nH+]c1NC[C@H]1CCS(=O)(=O)C1 ZINC000050614109 172227624 /nfs/dbraw/zinc/22/76/24/172227624.db2.gz MINZQTIAGSEFHX-SECBINFHSA-N 1 0 243.332 0.750 10 0 BCAERO CCn1cc[nH+]c1NC1CCS(=O)(=O)CC1 ZINC000050608513 172228554 /nfs/dbraw/zinc/22/85/54/172228554.db2.gz DPIRTHQRHLSDGQ-UHFFFAOYSA-N 1 0 243.332 0.892 10 0 BCAERO CN(C(=O)CC1CCCC1)[C@H]1C[NH2+]C[C@@H]1O ZINC000077485464 172301101 /nfs/dbraw/zinc/30/11/01/172301101.db2.gz QJJKLQNUNOXFCJ-QWRGUYRKSA-N 1 0 226.320 0.358 10 0 BCAERO CN(C(=O)CN1CCC[NH2+]CC1)C1CCCC1 ZINC000061269446 172308510 /nfs/dbraw/zinc/30/85/10/172308510.db2.gz DVCWYGAIIHKBCM-UHFFFAOYSA-N 1 0 239.363 0.683 10 0 BCAERO CN(C(=O)CN1CCC([NH3+])CC1)C1=CCCC1 ZINC000036754441 172308784 /nfs/dbraw/zinc/30/87/84/172308784.db2.gz SOJLGHDPTASRCX-UHFFFAOYSA-N 1 0 237.347 0.936 10 0 BCAERO CN(CC(=O)N(C)C1=CCCC1)[C@H]1CC[NH2+]C1 ZINC000071311045 172308886 /nfs/dbraw/zinc/30/88/86/172308886.db2.gz CPIYLPJZGYAEHA-LBPRGKRZSA-N 1 0 237.347 0.806 10 0 BCAERO CN(C(=O)CN1CC[C@H]([NH3+])C1)C1=CCCC1 ZINC000050242998 172310169 /nfs/dbraw/zinc/31/01/69/172310169.db2.gz VSKLPLLWVZYPOF-JTQLQIEISA-N 1 0 223.320 0.546 10 0 BCAERO CN(C(=O)Cc1ccc(F)c(F)c1)C1C[NH2+]C1 ZINC000095047094 172315442 /nfs/dbraw/zinc/31/54/42/172315442.db2.gz JQPAKWHAHDLXAD-UHFFFAOYSA-N 1 0 240.253 0.938 10 0 BCAERO CN(C(=O)[C@@H]1CCC[C@@H]1C[NH3+])[C@@H]1CCOC1 ZINC000133905722 172327294 /nfs/dbraw/zinc/32/72/94/172327294.db2.gz OTAYULSNMLWJON-GMTAPVOTSA-N 1 0 226.320 0.609 10 0 BCAERO CN(C(=O)[C@@H]1C[NH2+]CCN1)c1ccccc1F ZINC000062813440 172329068 /nfs/dbraw/zinc/32/90/68/172329068.db2.gz IXLXHFCCGBYCKQ-JTQLQIEISA-N 1 0 237.278 0.350 10 0 BCAERO CN(C(=O)[C@H]1CCCCO1)[C@@H]1CCC[NH2+]C1 ZINC000050959940 172332359 /nfs/dbraw/zinc/33/23/59/172332359.db2.gz ROYYMAPRCVFGLD-GHMZBOCLSA-N 1 0 226.320 0.766 10 0 BCAERO CN(C(=O)[C@H]1CCOC1)C(C)(C)C[NH3+] ZINC000082638760 172333557 /nfs/dbraw/zinc/33/35/57/172333557.db2.gz WMNMNLHNMURONV-QMMMGPOBSA-N 1 0 200.282 0.219 10 0 BCAERO CN(C(=O)c1cccc2nccnc21)C1C[NH2+]C1 ZINC000228296289 172342250 /nfs/dbraw/zinc/34/22/50/172342250.db2.gz LIVNWLBUOUZBHP-UHFFFAOYSA-N 1 0 242.282 0.674 10 0 BCAERO CN(C(=O)c1cnccn1)[C@@H]1CCC[NH2+]C1 ZINC000082499369 172346280 /nfs/dbraw/zinc/34/62/80/172346280.db2.gz JUMJDSFBYJGPGU-SECBINFHSA-N 1 0 220.276 0.301 10 0 BCAERO CN(C(=O)c1cnccn1)[C@H]1CCC[NH2+]C1 ZINC000082499370 172346505 /nfs/dbraw/zinc/34/65/05/172346505.db2.gz JUMJDSFBYJGPGU-VIFPVBQESA-N 1 0 220.276 0.301 10 0 BCAERO CN(C)C(=O)CCN(C)c1cc[nH+]cc1N ZINC000042141213 172357458 /nfs/dbraw/zinc/35/74/58/172357458.db2.gz IQYRCWPDEZIBEG-UHFFFAOYSA-N 1 0 222.292 0.578 10 0 BCAERO CN(C)C(=O)CC[NH2+][C@H]1CCN2CCC[C@H]12 ZINC000049567333 172360569 /nfs/dbraw/zinc/36/05/69/172360569.db2.gz QOUJNBIEOKZDDT-WDEREUQCSA-N 1 0 225.336 0.291 10 0 BCAERO CN(C)C(=O)CN(C)C(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000055087153 172362938 /nfs/dbraw/zinc/36/29/38/172362938.db2.gz OITUBJWKEVDCTJ-UWVGGRQHSA-N 1 0 241.335 0.051 10 0 BCAERO CN(C)C(=O)CN(C)c1cc(N)cc[nH+]1 ZINC000043568885 172364388 /nfs/dbraw/zinc/36/43/88/172364388.db2.gz KLASNPALCPDCBK-UHFFFAOYSA-N 1 0 208.265 0.188 10 0 BCAERO CN(C)C(=O)CN(C)c1cccc(C[NH3+])c1 ZINC000061951542 172364462 /nfs/dbraw/zinc/36/44/62/172364462.db2.gz TZPMUMULCSZSFQ-UHFFFAOYSA-N 1 0 221.304 0.670 10 0 BCAERO CN(C)C(=O)C[NH2+]CC1(O)CCCCCC1 ZINC000037886580 172370120 /nfs/dbraw/zinc/37/01/20/172370120.db2.gz QRFREBGHUISQEC-UHFFFAOYSA-N 1 0 228.336 0.750 10 0 BCAERO CN(C)C(=O)[C@@H]1CCCN1C1CC[NH2+]CC1 ZINC000038042957 172383482 /nfs/dbraw/zinc/38/34/82/172383482.db2.gz BYUGZYAPZVCNAJ-NSHDSACASA-N 1 0 225.336 0.291 10 0 BCAERO CN(C)C(=O)[C@@H]1CCCN1c1ncccc1C[NH3+] ZINC000036796715 172385064 /nfs/dbraw/zinc/38/50/64/172385064.db2.gz DDUGPHJJLQMKJA-NSHDSACASA-N 1 0 248.330 0.597 10 0 BCAERO CN(C)C(=O)[C@H]1C[C@@]2(CO1)CCC[NH2+]C2 ZINC000096074307 172387539 /nfs/dbraw/zinc/38/75/39/172387539.db2.gz RTCDDDJKNKFGGA-KOLCDFICSA-N 1 0 212.293 0.233 10 0 BCAERO CN(C)C(=O)c1cc(NC[C@H]([NH3+])C2CC2)ccn1 ZINC000104319590 172388321 /nfs/dbraw/zinc/38/83/21/172388321.db2.gz IUFUMKWRYMBEEM-NSHDSACASA-N 1 0 248.330 0.933 10 0 BCAERO CN(C)C(=O)c1cc(N(C)CCC[NH3+])ccn1 ZINC000035672792 172388652 /nfs/dbraw/zinc/38/86/52/172388652.db2.gz CGOFWIGRMLRXCS-UHFFFAOYSA-N 1 0 236.319 0.568 10 0 BCAERO CN(C)C(C)(C)C[NH2+]C1CCS(=O)(=O)CC1 ZINC000035652286 172394566 /nfs/dbraw/zinc/39/45/66/172394566.db2.gz JUVOHVSSVFWUTO-UHFFFAOYSA-N 1 0 248.392 0.493 10 0 BCAERO CN(CC(=O)Nc1ccc(F)cc1)C1C[NH2+]C1 ZINC000090290340 172612381 /nfs/dbraw/zinc/61/23/81/172612381.db2.gz CDPMARVFHOHCQU-UHFFFAOYSA-N 1 0 237.278 0.668 10 0 BCAERO CN(CCC[NH3+])C(=O)COC[C@H]1CCCCO1 ZINC000037051092 172702728 /nfs/dbraw/zinc/70/27/28/172702728.db2.gz DHJCQBCLOVESEQ-LLVKDONJSA-N 1 0 244.335 0.379 10 0 BCAERO CN1CCCC[C@H]1C[NH2+]CCN1CCOCC1 ZINC000044562687 173009801 /nfs/dbraw/zinc/00/98/01/173009801.db2.gz PKUMDBLXDBBTOP-ZDUSSCGKSA-N 1 0 241.379 0.393 10 0 BCAERO Cn1cnnc1CNC[C@@H]1CCCC[N@@H+]1C ZINC000054243276 173009980 /nfs/dbraw/zinc/00/99/80/173009980.db2.gz MUJQZFVAOBEPFR-JTQLQIEISA-N 1 0 223.324 0.389 10 0 BCAERO C[N@@H+]1CCCC[C@H]1CNCc1cc[nH]n1 ZINC000044561278 173010643 /nfs/dbraw/zinc/01/06/43/173010643.db2.gz VGTQAFHGCROMSI-NSHDSACASA-N 1 0 208.309 0.984 10 0 BCAERO C[N@@H+]1CCCN(c2ccc(N)c3nonc32)CC1 ZINC000035675297 173016696 /nfs/dbraw/zinc/01/66/96/173016696.db2.gz QCDWBUHXXXBCJD-UHFFFAOYSA-N 1 0 247.302 0.947 10 0 BCAERO C[N@@H+]1CCC[C@H](CN[C@@H]2CCCNC2=O)C1 ZINC000054243855 173042986 /nfs/dbraw/zinc/04/29/86/173042986.db2.gz YEFRPUMYDXBBLJ-GHMZBOCLSA-N 1 0 225.336 0.196 10 0 BCAERO CN1CCN(C(=O)C[C@@H]2CCC[NH2+]C2)CC1 ZINC000054290447 173067897 /nfs/dbraw/zinc/06/78/97/173067897.db2.gz ZSHYBHJXNCEKBY-NSHDSACASA-N 1 0 225.336 0.150 10 0 BCAERO CN1CCN(C(=O)C[NH2+][C@H]2CC2(C)C)CC1 ZINC000045134201 173068086 /nfs/dbraw/zinc/06/80/86/173068086.db2.gz OAOMYYARFHEPQU-JTQLQIEISA-N 1 0 225.336 0.149 10 0 BCAERO CN1CCN(C(=O)OC(C)(C)C)C[C@H]1C[NH3+] ZINC000082348626 173069509 /nfs/dbraw/zinc/06/95/09/173069509.db2.gz BNXNJAZGVHGWSC-SECBINFHSA-N 1 0 229.324 0.496 10 0 BCAERO CN1CCN(CCC[C@H]2CCC[NH2+]2)C1=O ZINC000052885878 173078188 /nfs/dbraw/zinc/07/81/88/173078188.db2.gz NKTLVHIPTNXMMB-SNVBAGLBSA-N 1 0 211.309 0.886 10 0 BCAERO C[NH+]1CCN(CCCN2CCCNC2=O)CC1 ZINC000027735733 173078465 /nfs/dbraw/zinc/07/84/65/173078465.db2.gz IIMNVXTZMZYGPE-UHFFFAOYSA-N 1 0 240.351 0.039 10 0 BCAERO CN1CC[NH+](CCCC(N)=S)CC1 ZINC000019516334 173078603 /nfs/dbraw/zinc/07/86/03/173078603.db2.gz JZLWFGAHANIICL-UHFFFAOYSA-N 1 0 201.339 0.300 10 0 BCAERO CN1CCN([C@]2(C[NH3+])CCSC2)CC1 ZINC000019435547 173094399 /nfs/dbraw/zinc/09/43/99/173094399.db2.gz SIOKKTXGWGELHH-JTQLQIEISA-N 1 0 215.366 0.068 10 0 BCAERO CN1CC[NH2+][C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 ZINC000096988022 173097330 /nfs/dbraw/zinc/09/73/30/173097330.db2.gz INSNHLSBAMRGJR-UWVGGRQHSA-N 1 0 241.335 0.509 10 0 BCAERO C[N@@H+]1CCO[C@@H]2CN(c3cccc(F)n3)C[C@@H]21 ZINC000153182062 173104481 /nfs/dbraw/zinc/10/44/81/173104481.db2.gz JPSKSZYASTWNNI-VHSXEESVSA-N 1 0 237.278 0.740 10 0 BCAERO CN1CCO[C@H](C[NH2+]Cc2cccc(O)c2)C1 ZINC000105472233 173108195 /nfs/dbraw/zinc/10/81/95/173108195.db2.gz DJULNHIGOLPGAH-CYBMUJFWSA-N 1 0 236.315 0.812 10 0 BCAERO C[N@H+](C[C@@H]1CC[NH+](C)C1)CC1(O)CCOCC1 ZINC000336725226 173111778 /nfs/dbraw/zinc/11/17/78/173111778.db2.gz RFQZYXYTWLHIPE-GFCCVEGCSA-N 1 0 242.363 0.411 10 0 BCAERO C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2Cc3ccccc3N2)C1 ZINC000042548923 173121507 /nfs/dbraw/zinc/12/15/07/173121507.db2.gz BUGFLBAWOZHQSK-YPMHNXCESA-N 1 0 245.326 0.844 10 0 BCAERO C[N@@H+]1CC[C@@H](NC(=O)Cc2csc(N)n2)C1 ZINC000055273111 173122368 /nfs/dbraw/zinc/12/23/68/173122368.db2.gz KGNQXIHXPPKAQY-SSDOTTSWSA-N 1 0 240.332 0.088 10 0 BCAERO CN1CC[C@@H]([NH2+]CC(=O)N2CCCCC2)C1 ZINC000042547625 173123641 /nfs/dbraw/zinc/12/36/41/173123641.db2.gz CXGQPXNPOIRTDE-LLVKDONJSA-N 1 0 225.336 0.293 10 0 BCAERO CN1CC[C@@H]([NH2+]C2CCS(=O)CC2)C1 ZINC000042354235 173124198 /nfs/dbraw/zinc/12/41/98/173124198.db2.gz UKKLWYLVQNDORL-OPASDULOSA-N 1 0 216.350 0.191 10 0 BCAERO CN(C[C@H]1CC[N@H+](C)C1)C(=O)c1n[nH]cc1N ZINC000071187744 173142335 /nfs/dbraw/zinc/14/23/35/173142335.db2.gz HOPWQTQFMYUDAJ-QMMMGPOBSA-N 1 0 237.307 0.016 10 0 BCAERO C[N@@H+]1CC[C@H](CNc2ncc(N)cn2)C1 ZINC000040455842 173147881 /nfs/dbraw/zinc/14/78/81/173147881.db2.gz IQXDYRZCNWGSNK-MRVPVSSYSA-N 1 0 207.281 0.422 10 0 BCAERO C[N@@H+]1CC[C@H](N2C(=O)c3ccc(N)cc3C2=O)C1 ZINC000042547914 173150644 /nfs/dbraw/zinc/15/06/44/173150644.db2.gz CEEOVYVHDFLPLQ-VIFPVBQESA-N 1 0 245.282 0.569 10 0 BCAERO CN1CC[C@H]([NH2+]CCc2cccnc2)C1 ZINC000061988954 173153495 /nfs/dbraw/zinc/15/34/95/173153495.db2.gz ZEVXBOGNQHSIAG-LBPRGKRZSA-N 1 0 205.305 0.918 10 0 BCAERO CN1CC[C@](C[NH3+])(N2CCCSCC2)C1 ZINC000061990441 173163295 /nfs/dbraw/zinc/16/32/95/173163295.db2.gz QFVROMAWOHBRFE-LLVKDONJSA-N 1 0 229.393 0.458 10 0 BCAERO CN1C[C@H]([NH3+])C[C@H]1CNC(=O)OC(C)(C)C ZINC000082348651 173192215 /nfs/dbraw/zinc/19/22/15/173192215.db2.gz OFFFXPOKIIWUMA-BDAKNGLRSA-N 1 0 229.324 0.543 10 0 BCAERO CN1C[C@@H]2O[NH+]=C(c3ccc(N)cc3)[C@@H]2C1 ZINC000169358506 173198581 /nfs/dbraw/zinc/19/85/81/173198581.db2.gz YQAPLHYTMNJLOS-MNOVXSKESA-N 1 0 217.272 0.933 10 0 BCAERO CNC(=O)C(C)(C)C[NH2+]Cc1cncnc1 ZINC000227604645 173220565 /nfs/dbraw/zinc/22/05/65/173220565.db2.gz QVFRQHHEYSDWSC-UHFFFAOYSA-N 1 0 222.292 0.338 10 0 BCAERO CNC(=O)C1CCN([C@@H]2CCC[NH2+]C2)CC1 ZINC000042317523 173223605 /nfs/dbraw/zinc/22/36/05/173223605.db2.gz CMEIDKVTTLLHPP-LLVKDONJSA-N 1 0 225.336 0.196 10 0 BCAERO CNC(=O)C1CCN([C@@H]2CCC[C@H]2[NH3+])CC1 ZINC000042489247 173224548 /nfs/dbraw/zinc/22/45/48/173224548.db2.gz IFBFKMVITOJJLK-GHMZBOCLSA-N 1 0 225.336 0.324 10 0 BCAERO CNC(=O)CCN(CC[NH3+])Cc1ccccc1 ZINC000051757714 173251794 /nfs/dbraw/zinc/25/17/94/173251794.db2.gz XJFDNMMFKSDDCB-UHFFFAOYSA-N 1 0 235.331 0.583 10 0 BCAERO CNC(=O)CCNC(=O)[C@H]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000055140299 173259452 /nfs/dbraw/zinc/25/94/52/173259452.db2.gz DYZQBTMCTMQCHF-AEJSXWLSSA-N 1 0 241.335 0.002 10 0 BCAERO CNC(=O)CN(C)[C@@H](C[NH3+])c1ccccc1C ZINC000043034695 173269443 /nfs/dbraw/zinc/26/94/43/173269443.db2.gz XKNONNZVGJXPSE-LBPRGKRZSA-N 1 0 235.331 0.673 10 0 BCAERO CNC(=O)CN(C)[C@H](C[NH3+])c1ccc(C)cc1 ZINC000042906389 173270343 /nfs/dbraw/zinc/27/03/43/173270343.db2.gz FPHFULOLDUHNPF-GFCCVEGCSA-N 1 0 235.331 0.673 10 0 BCAERO CNC(=O)CN(C)[C@H]1CCCC[C@@H]1C[NH3+] ZINC000037270061 173272602 /nfs/dbraw/zinc/27/26/02/173272602.db2.gz ZYOCCFHCFUCRFC-ZJUUUORDSA-N 1 0 213.325 0.182 10 0 BCAERO CNC(=O)CNCCC[N@@H+]1CCCC[C@H]1C ZINC000020047937 173276797 /nfs/dbraw/zinc/27/67/97/173276797.db2.gz QNDNXAVEHTYFFL-LLVKDONJSA-N 1 0 227.352 0.587 10 0 BCAERO CNC(=O)C[NH2+]C[C@]1(O)CCC[C@@H](C)C1 ZINC000083469539 173277042 /nfs/dbraw/zinc/27/70/42/173277042.db2.gz TXUOIWGPNKKLFL-KOLCDFICSA-N 1 0 214.309 0.263 10 0 BCAERO CNC(=O)CNCCC[N@H+](C)Cc1ccccc1 ZINC000020048134 173277177 /nfs/dbraw/zinc/27/71/77/173277177.db2.gz KHXMNPOPWNIJCJ-UHFFFAOYSA-N 1 0 249.358 0.844 10 0 BCAERO CNC(=O)CN[C@H](C)[C@@H]1CCC[N@H+](C)C1 ZINC000037224639 173277802 /nfs/dbraw/zinc/27/78/02/173277802.db2.gz ZMPNSWAFDMOSMO-NXEZZACHSA-N 1 0 213.325 0.052 10 0 BCAERO CNC(=O)C[NH2+][C@@H](C)c1ccc(O)c(OC)c1 ZINC000037224792 173278031 /nfs/dbraw/zinc/27/80/31/173278031.db2.gz SIUJZZKPGDDNKR-QMMMGPOBSA-N 1 0 238.287 0.797 10 0 BCAERO CNC(=O)C[NH2+][C@@H]1CCc2ccc(OC)cc2C1 ZINC000133227804 173278112 /nfs/dbraw/zinc/27/81/12/173278112.db2.gz GKUGSMVSYPJJEC-GFCCVEGCSA-N 1 0 248.326 0.888 10 0 BCAERO CNC(=O)COc1cc(F)ccc1[C@@H](C)[NH3+] ZINC000062745921 173279149 /nfs/dbraw/zinc/27/91/49/173279149.db2.gz JWBDYNUHOKVEEE-SSDOTTSWSA-N 1 0 226.251 0.970 10 0 BCAERO CNC(=O)COc1cc(CC[NH3+])ccc1OC ZINC000037721740 173279389 /nfs/dbraw/zinc/27/93/89/173279389.db2.gz CQUBVRJNYDSTRD-UHFFFAOYSA-N 1 0 238.287 0.321 10 0 BCAERO CNC(=O)C[C@@H]([NH3+])c1ccc2c(c1)OCO2 ZINC000041239541 173281522 /nfs/dbraw/zinc/28/15/22/173281522.db2.gz ANBSYVZUZBHOOD-MRVPVSSYSA-N 1 0 222.244 0.551 10 0 BCAERO CNC(=O)Cc1nc2c(s1)C[NH2+]CC2 ZINC000057904960 173283668 /nfs/dbraw/zinc/28/36/68/173283668.db2.gz BFRJPXUHLQEYMZ-UHFFFAOYSA-N 1 0 211.290 0.077 10 0 BCAERO CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](C)C1CC1 ZINC000035140149 173288413 /nfs/dbraw/zinc/28/84/13/173288413.db2.gz LLDVMTHLTVTGAQ-NKWVEPMBSA-N 1 0 213.281 0.219 10 0 BCAERO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCc1ccco1 ZINC000037976013 173288473 /nfs/dbraw/zinc/28/84/73/173288473.db2.gz SIYATJHQVVQPSA-MRVPVSSYSA-N 1 0 239.275 0.256 10 0 BCAERO CNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1CCC[C@@H](C)C1 ZINC000037255234 173288681 /nfs/dbraw/zinc/28/86/81/173288681.db2.gz TZGHWHQHZWMSSN-UTLUCORTSA-N 1 0 241.335 0.999 10 0 BCAERO CNC(=O)Nc1ccc(NC(=O)[C@@H](C)[NH3+])cc1 ZINC000037040977 173293161 /nfs/dbraw/zinc/29/31/61/173293161.db2.gz IQDZGQGLNJGABR-SSDOTTSWSA-N 1 0 236.275 0.724 10 0 BCAERO CNC(=O)[C@@H](C)[N@H+](C)Cc1cccc(N)c1 ZINC000035360015 173294322 /nfs/dbraw/zinc/29/43/22/173294322.db2.gz AMCPSVQEOHVXRA-SECBINFHSA-N 1 0 221.304 0.835 10 0 BCAERO CNC(=O)[C@@H](C)[NH2+]C[C@H]1Cc2ccccc2O1 ZINC000038009915 173295121 /nfs/dbraw/zinc/29/51/21/173295121.db2.gz JPQASBPINFPSHD-MWLCHTKSSA-N 1 0 234.299 0.714 10 0 BCAERO CNC(=O)[C@@H](C)[NH2+]Cc1cc(C)n(C)c1C ZINC000052790455 173295176 /nfs/dbraw/zinc/29/51/76/173295176.db2.gz FVGBRTGITZZOJG-SECBINFHSA-N 1 0 223.320 0.866 10 0 BCAERO CNC(=O)[C@@H](C)[NH2+]Cc1cn(C)nc1C(C)C ZINC000042562115 173295222 /nfs/dbraw/zinc/29/52/22/173295222.db2.gz HBRSMPOZIBYPIX-SECBINFHSA-N 1 0 238.335 0.768 10 0 BCAERO CNC(=O)[C@@H](C)[NH2+]C1CCC2(CC1)OCCO2 ZINC000042560771 173295463 /nfs/dbraw/zinc/29/54/63/173295463.db2.gz VNFXWKZODRXNQQ-SECBINFHSA-N 1 0 242.319 0.396 10 0 BCAERO CNC(=O)[C@@H](C[NH3+])CC1CCOCC1 ZINC000052175754 173296258 /nfs/dbraw/zinc/29/62/58/173296258.db2.gz RIFHLLAEDJGDQQ-SECBINFHSA-N 1 0 200.282 0.124 10 0 BCAERO CNC(=O)[C@@H]1CCCCN1[C@@H]1CCCC[C@@H]1[NH3+] ZINC000042424540 173297620 /nfs/dbraw/zinc/29/76/20/173297620.db2.gz ZMDATXPPSOZFLE-TUAOUCFPSA-N 1 0 239.363 0.857 10 0 BCAERO CNC(=O)[C@@H]1CCCCN1C1CC[NH2+]CC1 ZINC000042422740 173297715 /nfs/dbraw/zinc/29/77/15/173297715.db2.gz ZQHPLLROWZYIOS-NSHDSACASA-N 1 0 225.336 0.339 10 0 BCAERO CNC(=O)[C@H](C)N1CCC[C@@H](C[NH2+]C(C)C)C1 ZINC000063139736 173301669 /nfs/dbraw/zinc/30/16/69/173301669.db2.gz BNUSRSYGXHTMDH-RYUDHWBXSA-N 1 0 241.379 0.831 10 0 BCAERO CNC(=O)[C@H](C)N1CCCC[C@@H]1C[NH2+]C1CC1 ZINC000104420186 173301883 /nfs/dbraw/zinc/30/18/83/173301883.db2.gz VHWOSWDEIATONB-CMPLNLGQSA-N 1 0 239.363 0.727 10 0 BCAERO CNC(=O)[C@H](C)NC(=O)[C@@H]1[C@@H](C)CCC[C@@H]1[NH3+] ZINC000055140577 173302213 /nfs/dbraw/zinc/30/22/13/173302213.db2.gz VSLOCOSZDHCNQX-AATLWQCWSA-N 1 0 241.335 0.001 10 0 BCAERO CNC(=O)[C@H](C)[NH2+]C[C@H]1CCCCO1 ZINC000042319978 173302529 /nfs/dbraw/zinc/30/25/29/173302529.db2.gz KOCFLKPUNVVTAA-DTWKUNHWSA-N 1 0 200.282 0.280 10 0 BCAERO CNC(=O)[C@H](C)[NH2+]C[C@@H](O)c1cccc(F)c1 ZINC000042562697 173302658 /nfs/dbraw/zinc/30/26/58/173302658.db2.gz UYKVDHMKLBPPRW-GZMMTYOYSA-N 1 0 240.278 0.583 10 0 BCAERO CNC(=O)[C@H](C)[NH2+]C[C@H](O)c1cccc(F)c1 ZINC000042562693 173302698 /nfs/dbraw/zinc/30/26/98/173302698.db2.gz UYKVDHMKLBPPRW-KWQFWETISA-N 1 0 240.278 0.583 10 0 BCAERO CNC(=O)[C@H](C)[NH2+][C@H](C)C(=O)NC1CCCC1 ZINC000042570110 173303441 /nfs/dbraw/zinc/30/34/41/173303441.db2.gz VAOHJOHNIIAKPW-DTWKUNHWSA-N 1 0 241.335 0.158 10 0 BCAERO CNC(=O)[C@H](C)[NH2+][C@H](C)C(=O)N1CCCCC1 ZINC000042563059 173303593 /nfs/dbraw/zinc/30/35/93/173303593.db2.gz VGLOJLAJLSSRFO-VHSXEESVSA-N 1 0 241.335 0.112 10 0 BCAERO CNC(=O)[C@H](C)OC[C@H]1CCCC[NH2+]1 ZINC000051815782 173304467 /nfs/dbraw/zinc/30/44/67/173304467.db2.gz ULWNINFQQIZIIM-DTWKUNHWSA-N 1 0 200.282 0.280 10 0 BCAERO CNC(=O)c1cc(N(C)CCC(N)=[NH2+])ccn1 ZINC000035673675 173309636 /nfs/dbraw/zinc/30/96/36/173309636.db2.gz MMEXMXZXRMFZGW-UHFFFAOYSA-N 1 0 235.291 0.203 10 0 BCAERO CNC(=O)c1cc(OCC2CC[NH2+]CC2)ccn1 ZINC000051869651 173310039 /nfs/dbraw/zinc/31/00/39/173310039.db2.gz WYDUSAMMFICHIE-UHFFFAOYSA-N 1 0 249.314 0.820 10 0 BCAERO CNC(=O)c1ccc(CNC(=O)[C@@H](C)[NH2+]C)cc1 ZINC000054076110 173310406 /nfs/dbraw/zinc/31/04/06/173310406.db2.gz DTSKAYSTBPBCTQ-SECBINFHSA-N 1 0 249.314 0.270 10 0 BCAERO CNC(=O)c1nccc(C[NH3+])c1OC1CC1 ZINC000095738096 173315315 /nfs/dbraw/zinc/31/53/15/173315315.db2.gz WHOXEXOYOWDPQO-UHFFFAOYSA-N 1 0 221.260 0.441 10 0 BCAERO C[NH2+]C(C)(C)C(=O)N1CCCC[C@H]1CCO ZINC000061300242 173317404 /nfs/dbraw/zinc/31/74/04/173317404.db2.gz AXEZJTTVFPQXDK-JTQLQIEISA-N 1 0 228.336 0.748 10 0 BCAERO C[NH2+]C(C)(C)C(=O)N1CCC(OC)CC1 ZINC000061300407 173317609 /nfs/dbraw/zinc/31/76/09/173317609.db2.gz GTPRTCMCQSVUNH-UHFFFAOYSA-N 1 0 214.309 0.622 10 0 BCAERO C[NH2+]C(C)(C)C(=O)N1CCCO[C@@H](C)C1 ZINC000061920156 173317938 /nfs/dbraw/zinc/31/79/38/173317938.db2.gz LNHINHMKOSTALZ-VIFPVBQESA-N 1 0 214.309 0.622 10 0 BCAERO C[NH2+]C(C)(C)C(=O)N(C)Cc1cnn(C)c1 ZINC000061316930 173317984 /nfs/dbraw/zinc/31/79/84/173317984.db2.gz MACRSYIPKREMIU-UHFFFAOYSA-N 1 0 224.308 0.377 10 0 BCAERO C[NH2+]C(C)(C)C(=O)N1C[C@H](C(N)=O)CC[C@H]1C ZINC000061317592 173318392 /nfs/dbraw/zinc/31/83/92/173318392.db2.gz JAGAAMNMUNCKCP-RKDXNWHRSA-N 1 0 241.335 0.097 10 0 BCAERO C[NH2+]C(C)(C)C(=O)Nc1cc(C)nn1C ZINC000061300239 173318534 /nfs/dbraw/zinc/31/85/34/173318534.db2.gz QQZMEKPWWFPTKR-UHFFFAOYSA-N 1 0 210.281 0.665 10 0 BCAERO C[NH2+]C(C)(C)C(=O)N[C@H](C)[C@@H]1CCCO1 ZINC000061300453 173318567 /nfs/dbraw/zinc/31/85/67/173318567.db2.gz PXXDACXRJRVOTB-BDAKNGLRSA-N 1 0 214.309 0.668 10 0 BCAERO C[NH2+]C(C)(C)C(=O)NCc1cccnc1 ZINC000061300319 173318634 /nfs/dbraw/zinc/31/86/34/173318634.db2.gz BSUHYXLBPHJNTI-UHFFFAOYSA-N 1 0 207.277 0.696 10 0 BCAERO C[NH2+]C(C)(C)C(=O)N1CCOC[C@@H]1C ZINC000061300465 173318674 /nfs/dbraw/zinc/31/86/74/173318674.db2.gz AMXCRFRFCBQCKR-QMMMGPOBSA-N 1 0 200.282 0.232 10 0 BCAERO C[NH2+]C(C)(C)C(=O)N[C@@H](C)c1cnn(C)c1C ZINC000061300602 173318712 /nfs/dbraw/zinc/31/87/12/173318712.db2.gz OCIFKNBANQFFJS-QMMMGPOBSA-N 1 0 238.335 0.904 10 0 BCAERO C[NH2+]C1CCC(N2C(=O)C[C@@H](C)C2=O)CC1 ZINC000038051976 173322106 /nfs/dbraw/zinc/32/21/06/173322106.db2.gz KKVCFCSLGKAPMS-XNWIYYODSA-N 1 0 224.304 0.912 10 0 BCAERO C[NH2+]CC(=O)N(CCO)Cc1ccccc1 ZINC000037809300 173325570 /nfs/dbraw/zinc/32/55/70/173325570.db2.gz RTYFINNEPBONBH-UHFFFAOYSA-N 1 0 222.288 0.227 10 0 BCAERO C[NH2+]CC(=O)NC1(CO)CCCCC1 ZINC000053127208 173327495 /nfs/dbraw/zinc/32/74/95/173327495.db2.gz RLRZRMVXPWWJLI-UHFFFAOYSA-N 1 0 200.282 0.017 10 0 BCAERO C[NH2+]CC(=O)NCCN(C)c1cccc(C)c1 ZINC000077371428 173328668 /nfs/dbraw/zinc/32/86/68/173328668.db2.gz VFSFOKRFWTWCIX-UHFFFAOYSA-N 1 0 235.331 0.767 10 0 BCAERO C[NH2+]CC(=O)NCCOc1ccc2c(c1)CCC2 ZINC000077422670 173329178 /nfs/dbraw/zinc/32/91/78/173329178.db2.gz MRVOJUNDRPIMRX-UHFFFAOYSA-N 1 0 248.326 0.890 10 0 BCAERO C[NH2+]CC(=O)NC[C@H](O)c1cccc(C)c1 ZINC000193133866 173329954 /nfs/dbraw/zinc/32/99/54/173329954.db2.gz VABTYBIDFFNPNJ-NSHDSACASA-N 1 0 222.288 0.364 10 0 BCAERO C[NH2+]CC(=O)NCc1cc(F)cc(OC)c1 ZINC000193141340 173330870 /nfs/dbraw/zinc/33/08/70/173330870.db2.gz YIVKODWXSUEROT-UHFFFAOYSA-N 1 0 226.251 0.670 10 0 BCAERO C[NH2+]CC(=O)N[C@@H](COC)c1ccc(C)o1 ZINC000193131833 173331907 /nfs/dbraw/zinc/33/19/07/173331907.db2.gz CSIOEGRYVHEIQD-VIFPVBQESA-N 1 0 226.276 0.611 10 0 BCAERO C[NH2+]CC(=O)Nc1cccc(C(=O)NC2CC2)c1 ZINC000040421877 173334216 /nfs/dbraw/zinc/33/42/16/173334216.db2.gz RVAJFHJHRISQFX-UHFFFAOYSA-N 1 0 247.298 0.737 10 0 BCAERO C[NH2+]CC(=O)Nc1nc(C)ccc1OC ZINC000193131882 173334977 /nfs/dbraw/zinc/33/49/77/173334977.db2.gz VDFIQFHRKIHLRO-UHFFFAOYSA-N 1 0 209.249 0.557 10 0 BCAERO C[NH2+]CC1([C@H]2CCS(=O)(=O)C2)CCOCC1 ZINC000061674049 173338000 /nfs/dbraw/zinc/33/80/00/173338000.db2.gz BDNBOSTTWLFWIH-JTQLQIEISA-N 1 0 247.360 0.437 10 0 BCAERO C[NH2+]CCC(=O)N[C@H]1CCCC[C@H]1O ZINC000052009372 173341726 /nfs/dbraw/zinc/34/17/26/173341726.db2.gz NJGWPRJIFYGUEN-DTWKUNHWSA-N 1 0 200.282 0.016 10 0 BCAERO C[NH2+]CCS(=O)(=O)N1CCC[C@@H]1C ZINC000049630274 173357383 /nfs/dbraw/zinc/35/73/83/173357383.db2.gz BGELVAXIZBUFAX-QMMMGPOBSA-N 1 0 206.311 0.020 10 0 BCAERO C[NH2+]CCOc1cccc2c1CC(=O)N2 ZINC000001903146 173357435 /nfs/dbraw/zinc/35/74/35/173357435.db2.gz STMJSLDMROVPBX-UHFFFAOYSA-N 1 0 206.245 0.779 10 0 BCAERO C[NH2+]CC[C@H]1CN(CCOC)C(=O)O1 ZINC000077297266 173359108 /nfs/dbraw/zinc/35/91/08/173359108.db2.gz YNIUVSSITSZMIS-QMMMGPOBSA-N 1 0 202.254 0.063 10 0 BCAERO C[NH2+]CCc1nc2c(s1)CN(C)CC2 ZINC000053296330 173361114 /nfs/dbraw/zinc/36/11/14/173361114.db2.gz RXGOVSULIGVEKW-UHFFFAOYSA-N 1 0 211.334 0.893 10 0 BCAERO C[NH2+]C[C@@H](C)C(=O)N1[C@H](C)COC[C@@H]1C ZINC000237163977 173362916 /nfs/dbraw/zinc/36/29/16/173362916.db2.gz ZRDRIALLJORKIR-BBBLOLIVSA-N 1 0 214.309 0.478 10 0 BCAERO C[NH2+]C[C@@H](C)n1nnc(-c2ccco2)n1 ZINC000053539193 173364668 /nfs/dbraw/zinc/36/46/68/173364668.db2.gz QCGHMKYJYASMEA-SSDOTTSWSA-N 1 0 207.237 0.714 10 0 BCAERO C[NH2+]C[C@@H](O)CS(=O)(=O)c1cccc(C)c1 ZINC000019685850 173365505 /nfs/dbraw/zinc/36/55/05/173365505.db2.gz FJUZZZHCBPGPLE-SNVBAGLBSA-N 1 0 243.328 0.349 10 0 BCAERO C[NH2+]C[C@@H](O)COc1ccccc1OC ZINC000019864713 173365586 /nfs/dbraw/zinc/36/55/86/173365586.db2.gz GABYGHFEJZTGIU-SECBINFHSA-N 1 0 211.261 0.654 10 0 BCAERO C[NH2+]C[C@@H]1CC12CCS(=O)(=O)CC2 ZINC000054589826 173367104 /nfs/dbraw/zinc/36/71/04/173367104.db2.gz FIDZLUAUIXLJEV-QMMMGPOBSA-N 1 0 203.307 0.421 10 0 BCAERO C[NH2+]C[C@@H]1CCCN1CCS(=O)(=O)C(C)C ZINC000226428320 173369085 /nfs/dbraw/zinc/36/90/85/173369085.db2.gz MRFGJGGHSBFTFV-NSHDSACASA-N 1 0 248.392 0.493 10 0 BCAERO C[NH2+]C[C@@H]1C[C@@H](F)CN1Cc1cncnc1 ZINC000238853714 173371764 /nfs/dbraw/zinc/37/17/64/173371764.db2.gz KKZLKEYDXCNGEW-MNOVXSKESA-N 1 0 224.283 0.608 10 0 BCAERO C[NH2+]C[C@@H]1C[C@H](F)CN1Cc1ncccn1 ZINC000238856661 173372544 /nfs/dbraw/zinc/37/25/44/173372544.db2.gz WTMOVJCGRWAXNV-UWVGGRQHSA-N 1 0 224.283 0.608 10 0 BCAERO C[NH2+]C[C@H](O)Cn1cc(Br)cn1 ZINC000038054222 173376687 /nfs/dbraw/zinc/37/66/87/173376687.db2.gz NVGZORVMCXXLRH-ZETCQYMHSA-N 1 0 234.097 0.226 10 0 BCAERO C[NH2+]C[C@H](C)C(=O)N[C@H]1CCO[C@H]1C ZINC000134255544 173374716 /nfs/dbraw/zinc/37/47/16/173374716.db2.gz HNTUFJZCMOPJCN-CIUDSAMLSA-N 1 0 200.282 0.136 10 0 BCAERO C[NH2+]C[C@H](O)CN(C)c1ccc(C(C)=O)cc1 ZINC000077372748 173376169 /nfs/dbraw/zinc/37/61/69/173376169.db2.gz RULKSRHMCQWCHQ-ZDUSSCGKSA-N 1 0 236.315 0.906 10 0 BCAERO C[NH2+]C[C@H](O)Cc1ccc(OC)c(F)c1 ZINC000041226852 173376594 /nfs/dbraw/zinc/37/65/94/173376594.db2.gz NQJQZNPNFNBGKJ-SECBINFHSA-N 1 0 213.252 0.957 10 0 BCAERO C[NH2+]C[C@H]1CCCN1c1cc(C)ncn1 ZINC000053703958 173380631 /nfs/dbraw/zinc/38/06/31/173380631.db2.gz NJRLNYLKOZEAHA-SNVBAGLBSA-N 1 0 206.293 0.973 10 0 BCAERO C[NH2+]C[C@H]1CCCN1c1ccnc(C(N)=O)c1 ZINC000133326887 173380832 /nfs/dbraw/zinc/38/08/32/173380832.db2.gz BLRWFENLWMQVHG-SNVBAGLBSA-N 1 0 234.303 0.369 10 0 BCAERO C[NH2+]C[C@H]1CN(CCCOC)C(=O)O1 ZINC000077297268 173382918 /nfs/dbraw/zinc/38/29/18/173382918.db2.gz UHICBTLQDRALIT-QMMMGPOBSA-N 1 0 202.254 0.063 10 0 BCAERO C[NH2+]C[C@](C)(O)c1ccc(S(C)(=O)=O)cc1 ZINC000055032651 173383406 /nfs/dbraw/zinc/38/34/06/173383406.db2.gz ZXPUWVARXAHYOS-NSHDSACASA-N 1 0 243.328 0.517 10 0 BCAERO C[NH2+]Cc1c(N2CCOCC2)nc2ccccn21 ZINC000035433868 173384921 /nfs/dbraw/zinc/38/49/21/173384921.db2.gz WADNODUVGLHEBV-UHFFFAOYSA-N 1 0 246.314 0.890 10 0 BCAERO C[NH2+]Cc1c(Cl)ncnc1N(C)C ZINC000072266378 173385209 /nfs/dbraw/zinc/38/52/09/173385209.db2.gz RSDXNEBRDGBYHM-UHFFFAOYSA-N 1 0 200.673 0.915 10 0 BCAERO C[NH2+]Cc1ccc(OC2CCOCC2)nn1 ZINC000051522275 173389161 /nfs/dbraw/zinc/38/91/61/173389161.db2.gz LFUGPDVBPMSVMH-UHFFFAOYSA-N 1 0 223.276 0.754 10 0 BCAERO C[NH2+]Cc1ccccc1N(C)CC(=O)N(C)C ZINC000037271410 173390478 /nfs/dbraw/zinc/39/04/78/173390478.db2.gz CVDGFHRPRLNBIV-UHFFFAOYSA-N 1 0 235.331 0.930 10 0 BCAERO C[NH2+]Cc1cccnc1-n1nc(C)nc1C ZINC000051488273 173390480 /nfs/dbraw/zinc/39/04/80/173390480.db2.gz JFRASTFMXXLZCB-UHFFFAOYSA-N 1 0 217.276 0.999 10 0 BCAERO C[NH2+]Cc1ccccc1NC(=O)c1cn[nH]n1 ZINC000071215187 173390594 /nfs/dbraw/zinc/39/05/94/173390594.db2.gz CEUJGMDQQWQYLH-UHFFFAOYSA-N 1 0 231.259 0.776 10 0 BCAERO C[NH2+]Cc1ccoc1CN1CCN(C)CC1 ZINC000052379294 173391033 /nfs/dbraw/zinc/39/10/33/173391033.db2.gz GRMSFSHDXXEDCU-UHFFFAOYSA-N 1 0 223.320 0.746 10 0 BCAERO C[NH2+]Cc1ccnc(-n2nc(C)nc2C)c1 ZINC000051488325 173391577 /nfs/dbraw/zinc/39/15/77/173391577.db2.gz MCTWMSUSUMXNED-UHFFFAOYSA-N 1 0 217.276 0.999 10 0 BCAERO C[NH2+]Cc1cccnc1S(C)(=O)=O ZINC000253576939 173391885 /nfs/dbraw/zinc/39/18/85/173391885.db2.gz WLQDPJPWBSZONC-UHFFFAOYSA-N 1 0 200.263 0.205 10 0 BCAERO C[NH2+]Cc1csc(N2CCN(C)CC2)n1 ZINC000062214925 173393735 /nfs/dbraw/zinc/39/37/35/173393735.db2.gz OAOQAGWAQNXQHA-UHFFFAOYSA-N 1 0 226.349 0.614 10 0 BCAERO C[NH2+]Cc1nnnn1-c1ccc(C)cc1 ZINC000054744498 173398940 /nfs/dbraw/zinc/39/89/40/173398940.db2.gz CQZMXFFJJODOKK-UHFFFAOYSA-N 1 0 203.249 0.690 10 0 BCAERO C[NH2+][C@@H]1CCN(Cc2cccnc2)C1=O ZINC000049648602 173436319 /nfs/dbraw/zinc/43/63/19/173436319.db2.gz OYPDJSACCBTSCH-SNVBAGLBSA-N 1 0 205.261 0.402 10 0 BCAERO C[NH2+][C@@H]1CCOC[C@@H]1OCC1CCOCC1 ZINC000052152801 173437639 /nfs/dbraw/zinc/43/76/39/173437639.db2.gz GBZUGMPBMDOZKE-NEPJUHHUSA-N 1 0 229.320 0.807 10 0 BCAERO C[NH2+][C@H](C)CNC(=O)[C@@H]1CCCCO1 ZINC000234430612 173446325 /nfs/dbraw/zinc/44/63/25/173446325.db2.gz PIJDYWXJTHGKCZ-BDAKNGLRSA-N 1 0 200.282 0.280 10 0 BCAERO C[NH2+][C@H]1CCN(Cc2c(C)nn(C)c2OC)C1 ZINC000158511542 173464943 /nfs/dbraw/zinc/46/49/43/173464943.db2.gz XOVJCIBRCWITAY-JTQLQIEISA-N 1 0 238.335 0.531 10 0 BCAERO C[NH2+][C@H]1CCN([C@H](C)c2ccncc2)C1=O ZINC000049648748 173466318 /nfs/dbraw/zinc/46/63/18/173466318.db2.gz IKPZLQIYVOZPHW-KOLCDFICSA-N 1 0 219.288 0.963 10 0 BCAERO C[NH2+][C@H]1C[C@H](CO)N(C(=O)OC(C)(C)C)C1 ZINC000067173285 173468836 /nfs/dbraw/zinc/46/88/36/173468836.db2.gz SQFNRLAFLMKLJX-DTWKUNHWSA-N 1 0 230.308 0.576 10 0 BCAERO COC(=O)Cc1csc([C@H](C)C[NH3+])n1 ZINC000011887399 173642481 /nfs/dbraw/zinc/64/24/81/173642481.db2.gz KMBILTNJTNIGGY-ZCFIWIBFSA-N 1 0 214.290 0.921 10 0 BCAERO COC(=O)[C@@H](NC1CC[NH2+]CC1)C(C)C ZINC000038040843 173710624 /nfs/dbraw/zinc/71/06/24/173710624.db2.gz IGQDRMFYMNCGNU-JTQLQIEISA-N 1 0 214.309 0.526 10 0 BCAERO COC(=O)[C@@H]1CCCN1C(=O)C[NH2+]CC1CC1 ZINC000037804294 173722034 /nfs/dbraw/zinc/72/20/34/173722034.db2.gz IDVNVCDXUMCWCB-JTQLQIEISA-N 1 0 240.303 0.150 10 0 BCAERO COC(=O)[C@H](C)C[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000035759165 173770938 /nfs/dbraw/zinc/77/09/38/173770938.db2.gz JBYWRPKATLKSAU-UTLUCORTSA-N 1 0 215.293 0.953 10 0 BCAERO COC(=O)[C@H]([NH3+])[C@@H]1CCC[C@H](OC)C1 ZINC000216398476 173800009 /nfs/dbraw/zinc/80/00/09/173800009.db2.gz CDLZCXGMABRRCJ-HRDYMLBCSA-N 1 0 201.266 0.692 10 0 BCAERO COC(=O)c1occc1CN1CC[NH2+]C[C@H]1C ZINC000054372183 173921112 /nfs/dbraw/zinc/92/11/12/173921112.db2.gz UJEBVYNLVKZWGF-SECBINFHSA-N 1 0 238.287 0.860 10 0 BCAERO COC1CC([NH2+][C@H]2CCC(=O)N[C@H]2C)C1 ZINC000335913141 174020033 /nfs/dbraw/zinc/02/00/33/174020033.db2.gz BGYFUDRSLIVNPH-NFTFJBJSSA-N 1 0 212.293 0.421 10 0 BCAERO CO[C@H]1C[NH2+][C@H](CN2CCC(OC)CC2)C1 ZINC000040637487 174027933 /nfs/dbraw/zinc/02/79/33/174027933.db2.gz CKVFWRKOWMITAV-CMPLNLGQSA-N 1 0 228.336 0.474 10 0 BCAERO COC1CCN(CC[NH2+]C[C@@H]2CCOC2)CC1 ZINC000053380388 174028097 /nfs/dbraw/zinc/02/80/97/174028097.db2.gz GHWABZCWDZWZQZ-LBPRGKRZSA-N 1 0 242.363 0.723 10 0 BCAERO COC1CC[NH+](CCCn2ccc(N)n2)CC1 ZINC000071352003 174029211 /nfs/dbraw/zinc/02/92/11/174029211.db2.gz VVRSVEOOVHSLAX-UHFFFAOYSA-N 1 0 238.335 0.966 10 0 BCAERO COCC(=O)N1CC[C@H](C)C[C@@H]1C[NH3+] ZINC000234614941 174044393 /nfs/dbraw/zinc/04/43/93/174044393.db2.gz ZGOKFBSAOHZIKA-DTWKUNHWSA-N 1 0 200.282 0.219 10 0 BCAERO COCC(=O)N(C)CC[C@H]1CCCC[NH2+]1 ZINC000019843731 174039358 /nfs/dbraw/zinc/03/93/58/174039358.db2.gz OOGZDXZNTPOXBN-SNVBAGLBSA-N 1 0 214.309 0.623 10 0 BCAERO COCC(=O)N(CCC[NH3+])Cc1cccnc1 ZINC000019811620 174040147 /nfs/dbraw/zinc/04/01/47/174040147.db2.gz FNOXXVILNIBHRS-UHFFFAOYSA-N 1 0 237.303 0.405 10 0 BCAERO COCC(=O)N1CC(C)(C)[NH2+]C[C@H]1C ZINC000062568561 174040176 /nfs/dbraw/zinc/04/01/76/174040176.db2.gz SAWVKHPVDLOKIG-MRVPVSSYSA-N 1 0 200.282 0.232 10 0 BCAERO COCC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000070266283 174042881 /nfs/dbraw/zinc/04/28/81/174042881.db2.gz JENOFUAOIPBPNQ-SNVBAGLBSA-N 1 0 212.293 0.330 10 0 BCAERO COCC(=O)NC[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000062036715 174050763 /nfs/dbraw/zinc/05/07/63/174050763.db2.gz DHKWHZUAPXZUAX-BDAKNGLRSA-N 1 0 200.282 0.137 10 0 BCAERO COCC(=O)OCC[NH2+]Cc1ccccc1 ZINC000082690071 174061314 /nfs/dbraw/zinc/06/13/14/174061314.db2.gz XGTAIVYHVBHYHY-UHFFFAOYSA-N 1 0 223.272 0.966 10 0 BCAERO COCC1CCN(C(=O)[C@@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000091547757 174118877 /nfs/dbraw/zinc/11/88/77/174118877.db2.gz QCIGUGVFTBNPMF-VXGBXAGGSA-N 1 0 240.347 0.999 10 0 BCAERO COCCC(=O)N1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000234623424 174125022 /nfs/dbraw/zinc/12/50/22/174125022.db2.gz UCPWOLTXKRFZDI-NXEZZACHSA-N 1 0 214.309 0.609 10 0 BCAERO COCCCCCNC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000234730782 174180915 /nfs/dbraw/zinc/18/09/15/174180915.db2.gz DGXHJQQCAJCGTF-MNOVXSKESA-N 1 0 244.335 0.426 10 0 BCAERO COCCCN1C[C@@H](CC[NH3+])CC1=O ZINC000077296883 174234716 /nfs/dbraw/zinc/23/47/16/174234716.db2.gz HNEFNZUBBWCPTR-VIFPVBQESA-N 1 0 200.282 0.220 10 0 BCAERO COCCC[NH2+][C@@H]1CCC(=O)N[C@@H]1C ZINC000336649805 174249035 /nfs/dbraw/zinc/24/90/35/174249035.db2.gz IFRKJWXNJHXTGM-RKDXNWHRSA-N 1 0 200.282 0.280 10 0 BCAERO COCCC[C@@H](C)[NH2+][C@H]1CCCNC1=O ZINC000336764382 174261327 /nfs/dbraw/zinc/26/13/27/174261327.db2.gz PSSHVRDQJVBYBS-ZJUUUORDSA-N 1 0 214.309 0.670 10 0 BCAERO COCCN(C(=O)n1cc[n+](C)c1)C1CC1 ZINC000042519124 174269302 /nfs/dbraw/zinc/26/93/02/174269302.db2.gz XEIZHDKETIZXEO-UHFFFAOYSA-N 1 0 224.284 0.392 10 0 BCAERO COCCN(C)C(=O)[C@H]1[NH2+]CCC[C@@H]1C ZINC000051793452 174273050 /nfs/dbraw/zinc/27/30/50/174273050.db2.gz BTEREJQEODLBAS-UWVGGRQHSA-N 1 0 214.309 0.479 10 0 BCAERO COCCN(CC(C)C)C(=O)N1CC[NH2+]CC1 ZINC000042368604 174287789 /nfs/dbraw/zinc/28/77/89/174287789.db2.gz QOZLJGKOMSPCAV-UHFFFAOYSA-N 1 0 243.351 0.616 10 0 BCAERO COCC[N@H+](CC(C)C)C[C@@]1(CO)CCOC1 ZINC000051294212 174287824 /nfs/dbraw/zinc/28/78/24/174287824.db2.gz SXMULXZFNKVUCC-CYBMUJFWSA-N 1 0 245.363 0.990 10 0 BCAERO COCCN(CCC(N)=[NH2+])c1cc(C)ncn1 ZINC000071229470 174289952 /nfs/dbraw/zinc/28/99/52/174289952.db2.gz QPNMYTYUFRSPOX-UHFFFAOYSA-N 1 0 237.307 0.564 10 0 BCAERO COCC[N@H+](CCCC(=O)OC)[C@@H](C)COC ZINC000042608358 174290656 /nfs/dbraw/zinc/29/06/56/174290656.db2.gz DEWDPVREXUOXLP-NSHDSACASA-N 1 0 247.335 0.923 10 0 BCAERO COCCN(CC[NH2+][C@H](C)COC)CCOC ZINC000053386498 174291698 /nfs/dbraw/zinc/29/16/98/174291698.db2.gz CUHDRTMHWBOUEO-GFCCVEGCSA-N 1 0 248.367 0.206 10 0 BCAERO COCCN(CC[NH2+]C[C@@H]1CCCO1)C1CC1 ZINC000053433548 174292111 /nfs/dbraw/zinc/29/21/11/174292111.db2.gz DPKZAYHEWHTKAJ-ZDUSSCGKSA-N 1 0 242.363 0.866 10 0 BCAERO COCCN(CCOC)C[C@@H]1CCC[NH2+]1 ZINC000042442978 174295741 /nfs/dbraw/zinc/29/57/41/174295741.db2.gz RERZJODWSCBKQM-NSHDSACASA-N 1 0 216.325 0.333 10 0 BCAERO COCCN(CCOC)C(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000097093207 174296260 /nfs/dbraw/zinc/29/62/60/174296260.db2.gz NPZVKVZQTFKDIC-QWRGUYRKSA-N 1 0 244.335 0.235 10 0 BCAERO COCCN1CC[N@H+](CCCO)C[C@@H]1C ZINC000105913555 174310106 /nfs/dbraw/zinc/31/01/06/174310106.db2.gz XPVTUSDVUZOCKL-NSHDSACASA-N 1 0 216.325 0.021 10 0 BCAERO COCCN1CC[N@H+](CCCCO)C[C@@H]1C ZINC000105913415 174310413 /nfs/dbraw/zinc/31/04/13/174310413.db2.gz MWKILIFEQZUEKY-LBPRGKRZSA-N 1 0 230.352 0.411 10 0 BCAERO COCCN1CC[N@H+](CCCF)C[C@H]1C ZINC000128320394 174310460 /nfs/dbraw/zinc/31/04/60/174310460.db2.gz MDUKVUJRUUQHLN-LLVKDONJSA-N 1 0 218.316 0.999 10 0 BCAERO COCCN1CC[C@H]([NH2+][C@H]2CCO[C@@H]2C)C1 ZINC000348153327 174315799 /nfs/dbraw/zinc/31/57/99/174315799.db2.gz SKZDZWZBBPYAHC-WOPDTQHZSA-N 1 0 228.336 0.474 10 0 BCAERO COCCN1C[C@H](C[NH3+])OC(C)(C)C1 ZINC000011886440 174317947 /nfs/dbraw/zinc/31/79/47/174317947.db2.gz OWDYQXVVZOFTKS-VIFPVBQESA-N 1 0 202.298 0.071 10 0 BCAERO COCCNC(=O)[C@@H](C)[NH2+]CC(C)(C)N(C)C ZINC000049857066 174325586 /nfs/dbraw/zinc/32/55/86/174325586.db2.gz NEATXZNJXJISDJ-SNVBAGLBSA-N 1 0 245.367 0.067 10 0 BCAERO COCCNC(=O)[C@H](C)OC[C@H]1CCCC[NH2+]1 ZINC000051815714 174326839 /nfs/dbraw/zinc/32/68/39/174326839.db2.gz QDIWVVPFBMZPNP-WDEREUQCSA-N 1 0 244.335 0.296 10 0 BCAERO COCCNC(=O)[C@H](C)[NH2+]CC1CCOCC1 ZINC000104193738 174326917 /nfs/dbraw/zinc/32/69/17/174326917.db2.gz VSXLUFGYSNKTKS-JTQLQIEISA-N 1 0 244.335 0.154 10 0 BCAERO COCCNC(=O)c1sc(CC[NH3+])nc1C ZINC000019671918 174329336 /nfs/dbraw/zinc/32/93/36/174329336.db2.gz NVYLOCISZXROCU-UHFFFAOYSA-N 1 0 243.332 0.329 10 0 BCAERO COCC[NH2+]CCCCCS(C)(=O)=O ZINC000063018358 174332488 /nfs/dbraw/zinc/33/24/88/174332488.db2.gz CEDYDIOPPBJCBP-UHFFFAOYSA-N 1 0 223.338 0.437 10 0 BCAERO COCC[NH2+]C[C@@H](O)COc1ccccc1F ZINC000032100965 174333810 /nfs/dbraw/zinc/33/38/10/174333810.db2.gz VVFGMCDCOUKECF-SNVBAGLBSA-N 1 0 243.278 0.801 10 0 BCAERO COCC[NH2+][C@@H](CCc1ccccc1)C(N)=O ZINC000061625407 174338180 /nfs/dbraw/zinc/33/81/80/174338180.db2.gz UKMYKJWOCQLQJP-LBPRGKRZSA-N 1 0 236.315 0.709 10 0 BCAERO COCC[NH2+][C@H](C)C(=O)NCCC(C)C ZINC000034938595 174339395 /nfs/dbraw/zinc/33/93/95/174339395.db2.gz WXIXHDBARBTYMD-SNVBAGLBSA-N 1 0 216.325 0.773 10 0 BCAERO COCCNc1nc(CC[NH3+])cs1 ZINC000020185230 174342151 /nfs/dbraw/zinc/34/21/51/174342151.db2.gz AESCYPSEMQDMOJ-UHFFFAOYSA-N 1 0 201.295 0.703 10 0 BCAERO COCCOCCCNC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000091545586 174349604 /nfs/dbraw/zinc/34/96/04/174349604.db2.gz SSFMDGCHAXMFFD-GHMZBOCLSA-N 1 0 244.335 0.283 10 0 BCAERO COCCOc1ccc(C[NH2+]CCO)cc1 ZINC000066117038 174368265 /nfs/dbraw/zinc/36/82/65/174368265.db2.gz QFANJLVTCRMSQZ-UHFFFAOYSA-N 1 0 225.288 0.794 10 0 BCAERO COCCOc1ccc([C@@H]([NH3+])C(N)=O)cc1 ZINC000072232784 174368821 /nfs/dbraw/zinc/36/88/21/174368821.db2.gz XWTUKNBXROTQBA-SNVBAGLBSA-N 1 0 224.260 0.197 10 0 BCAERO COCCS(=O)(=O)C1CCC([NH3+])CC1 ZINC000055143926 174370638 /nfs/dbraw/zinc/37/06/38/174370638.db2.gz YOWYOATXDVNWNL-UHFFFAOYSA-N 1 0 221.322 0.318 10 0 BCAERO COCC[C@@H]([NH3+])c1nnc2ncccn21 ZINC000052785338 174392925 /nfs/dbraw/zinc/39/29/25/174392925.db2.gz LFAUASHSIWCMCE-SSDOTTSWSA-N 1 0 207.237 0.161 10 0 BCAERO CC(C)[C@@H]([NH3+])CC(=O)NC[C@@H](O)C(C)(C)C ZINC000324559782 487628701 /nfs/dbraw/zinc/62/87/01/487628701.db2.gz YESHVHVTCBIJKO-VHSXEESVSA-N 1 0 230.352 0.883 10 0 BCAERO CO[C@H]1C[NH2+]C[C@@H]1NC(=O)CC(C)(C)C ZINC000036235821 174898603 /nfs/dbraw/zinc/89/86/03/174898603.db2.gz HKVMCDJJJVARFM-IUCAKERBSA-N 1 0 214.309 0.526 10 0 BCAERO CO[C@H]1C[NH2+]C[C@@H]1Nc1nccc(C)n1 ZINC000061859586 174899564 /nfs/dbraw/zinc/89/95/64/174899564.db2.gz CHHGDASESHCTNV-IUCAKERBSA-N 1 0 208.265 0.184 10 0 BCAERO CO[C@H]1C[NH2+]C[C@@H]1Nc1ccc(C)cn1 ZINC000036268254 174899591 /nfs/dbraw/zinc/89/95/91/174899591.db2.gz VOHHPHHUPFMVNE-UWVGGRQHSA-N 1 0 207.277 0.789 10 0 BCAERO CO[C@H]1C[C@@H](CO)N(c2cc[nH+]c(C)c2)C1 ZINC000309310256 174904160 /nfs/dbraw/zinc/90/41/60/174904160.db2.gz WTDPPWRTMYDISL-RYUDHWBXSA-N 1 0 222.288 0.976 10 0 BCAERO COc1cc(OC)cc(OC(=O)CC[NH3+])c1 ZINC000049819953 175010284 /nfs/dbraw/zinc/01/02/84/175010284.db2.gz MKGHXTAUKFBMET-UHFFFAOYSA-N 1 0 225.244 0.958 10 0 BCAERO COc1cc(OC)cc(N2C[C@H]([NH3+])CC2=O)c1 ZINC000035679677 175010302 /nfs/dbraw/zinc/01/03/02/175010302.db2.gz VANFXEKEMKUKTP-MRVPVSSYSA-N 1 0 236.271 0.768 10 0 BCAERO COc1cc(OC)nc(N2CCC[NH2+]CC2)n1 ZINC000134990607 175011119 /nfs/dbraw/zinc/01/11/19/175011119.db2.gz YVLNLEWDSSYSCE-UHFFFAOYSA-N 1 0 238.291 0.294 10 0 BCAERO COc1cc(OC)nc(NC[C@@H]2CCC[NH2+]2)n1 ZINC000135008755 175012392 /nfs/dbraw/zinc/01/23/92/175012392.db2.gz YOGHLGPBXDSSSK-QMMMGPOBSA-N 1 0 238.291 0.658 10 0 BCAERO COc1cc([C@H](C[NH3+])CO)cc(OC)c1OC ZINC000071550513 175016188 /nfs/dbraw/zinc/01/61/88/175016188.db2.gz AVILLSVLLQRYKY-SECBINFHSA-N 1 0 241.287 0.747 10 0 BCAERO COc1cc2c(cc1OC)[C@H](C[NH3+])NCC2 ZINC000038244922 175025836 /nfs/dbraw/zinc/02/58/36/175025836.db2.gz JAQPKUUNMMRLKX-JTQLQIEISA-N 1 0 222.288 0.849 10 0 BCAERO COc1ccc(-n2nnnc2[C@H](C)[NH3+])cc1OC ZINC000062494082 175045949 /nfs/dbraw/zinc/04/59/49/175045949.db2.gz HDXYYUOUWHFILZ-ZETCQYMHSA-N 1 0 249.274 0.699 10 0 BCAERO COc1ccc(-n2nnnc2C[NH3+])cc1Cl ZINC000054744787 175046045 /nfs/dbraw/zinc/04/60/45/175046045.db2.gz NYQRLHVDANWVFU-UHFFFAOYSA-N 1 0 239.666 0.783 10 0 BCAERO COc1ccc(C[NH2+][C@@H](C)C(N)=O)cc1OC ZINC000035138284 175108159 /nfs/dbraw/zinc/10/81/59/175108159.db2.gz HDJZOTLLXHWDMG-QMMMGPOBSA-N 1 0 238.287 0.667 10 0 BCAERO COc1ccc(C[NH2+][C@H]2CCC(=O)N[C@H]2C)cn1 ZINC000282214413 175112170 /nfs/dbraw/zinc/11/21/70/175112170.db2.gz DONNVQYXLJVOQI-ONGXEEELSA-N 1 0 249.314 0.847 10 0 BCAERO COc1ccc(C[C@@H](O)CC[NH3+])c(OC)c1 ZINC000041245698 175115968 /nfs/dbraw/zinc/11/59/68/175115968.db2.gz OTANUPSIYUYTHG-JTQLQIEISA-N 1 0 225.288 0.956 10 0 BCAERO COc1ccc(F)c([C@H]([NH3+])CO)c1F ZINC000072197939 175126533 /nfs/dbraw/zinc/12/65/33/175126533.db2.gz HRIFXSMOSKFNHE-ZCFIWIBFSA-N 1 0 203.188 0.966 10 0 BCAERO COc1ccc(F)c([C@@H]([NH3+])CO)c1F ZINC000072197940 175126837 /nfs/dbraw/zinc/12/68/37/175126837.db2.gz HRIFXSMOSKFNHE-LURJTMIESA-N 1 0 203.188 0.966 10 0 BCAERO COc1ccc(N2CC[C@]3(CCC[NH2+]3)C2)nn1 ZINC000038212958 175139062 /nfs/dbraw/zinc/13/90/62/175139062.db2.gz QSSIQJNDVNWZIP-GFCCVEGCSA-N 1 0 234.303 0.818 10 0 BCAERO COc1ccc(N2CC[C@@H](C[NH3+])C2)cn1 ZINC000019436163 175139141 /nfs/dbraw/zinc/13/91/41/175139141.db2.gz NGOMYBIESYATHQ-VIFPVBQESA-N 1 0 207.277 0.875 10 0 BCAERO COc1ccc(NC(C)=O)cc1NC(=O)C[NH3+] ZINC000031964989 175148411 /nfs/dbraw/zinc/14/84/11/175148411.db2.gz VYNVIBULOCVTIR-UHFFFAOYSA-N 1 0 237.259 0.551 10 0 BCAERO COc1ccc(NC(C)=O)cc1C[NH2+]CCO ZINC000098126409 175148487 /nfs/dbraw/zinc/14/84/87/175148487.db2.gz BIIDKKHTENHLGV-UHFFFAOYSA-N 1 0 238.287 0.736 10 0 BCAERO COc1ccc(NCc2n[nH]c(C[NH3+])n2)cc1 ZINC000072236511 175152976 /nfs/dbraw/zinc/15/29/76/175152976.db2.gz CVMJUCYRCYYIIJ-UHFFFAOYSA-N 1 0 233.275 0.884 10 0 BCAERO COc1ccc(OC)c(C[C@H](O)CC[NH3+])c1 ZINC000041245689 175166095 /nfs/dbraw/zinc/16/60/95/175166095.db2.gz NLBWIZKKSFSKOI-SNVBAGLBSA-N 1 0 225.288 0.956 10 0 BCAERO COc1ccc(OC)c(N(C)C[C@H](O)C[NH3+])c1 ZINC000077386172 175166125 /nfs/dbraw/zinc/16/61/25/175166125.db2.gz MQZCHNJXSCKSAN-SECBINFHSA-N 1 0 240.303 0.460 10 0 BCAERO COc1ccc(OC)c(C[C@H]2C[NH2+]CCN2)c1 ZINC000095750871 175166475 /nfs/dbraw/zinc/16/64/75/175166475.db2.gz SGSHECCNSLJLIY-NSHDSACASA-N 1 0 236.315 0.808 10 0 BCAERO COc1ccc(OC)c(NC[C@H](O)C[NH3+])c1 ZINC000032015189 175167437 /nfs/dbraw/zinc/16/74/37/175167437.db2.gz OCXPRZJEUMPORF-MRVPVSSYSA-N 1 0 226.276 0.435 10 0 BCAERO COc1ccc(S(=O)(=O)[C@H](C)C[NH3+])cc1 ZINC000011896508 175174599 /nfs/dbraw/zinc/17/45/99/175174599.db2.gz ZSGIQMVBEYCNOZ-MRVPVSSYSA-N 1 0 229.301 0.816 10 0 BCAERO COc1ccc([C@@H](C[NH3+])n2cncn2)cc1 ZINC000042962207 175178739 /nfs/dbraw/zinc/17/87/39/175178739.db2.gz YOXZXOAVKJUPAV-LLVKDONJSA-N 1 0 218.260 0.835 10 0 BCAERO COc1ccc([C@@H](O)[C@@H]([NH3+])CO)cc1Cl ZINC000077362165 175181185 /nfs/dbraw/zinc/18/11/85/175181185.db2.gz IPBSCDAQPIHWJD-WCBMZHEXSA-N 1 0 231.679 0.702 10 0 BCAERO COc1ccc([C@@H]2NC(=O)CC[C@@H]2[NH3+])cc1 ZINC000057501538 175185568 /nfs/dbraw/zinc/18/55/68/175185568.db2.gz WLIUWMFFDRXEMU-JQWIXIFHSA-N 1 0 220.272 0.974 10 0 BCAERO COc1ccc([C@@](C)([NH3+])CO)c(OC)c1 ZINC000038124564 175186475 /nfs/dbraw/zinc/18/64/75/175186475.db2.gz JMSWRWMZUVBPPP-NSHDSACASA-N 1 0 211.261 0.870 10 0 BCAERO COc1ccc([C@H]([NH3+])Cn2cccnc2=O)cc1 ZINC000023068911 175191543 /nfs/dbraw/zinc/19/15/43/175191543.db2.gz AXJALTVXLFGSHC-GFCCVEGCSA-N 1 0 245.282 0.952 10 0 BCAERO COc1ccc([C@](C)([NH3+])C(N)=O)cc1F ZINC000037460124 175199817 /nfs/dbraw/zinc/19/98/17/175199817.db2.gz KCZFHTZOGOYSSY-JTQLQIEISA-N 1 0 212.224 0.494 10 0 BCAERO COc1ccc2c(c1)nc([C@@H](O)C[NH3+])n2C ZINC000076166663 175219928 /nfs/dbraw/zinc/21/99/28/175219928.db2.gz GRRSIIXXZFKJDB-JTQLQIEISA-N 1 0 221.260 0.574 10 0 BCAERO COc1ccc2c(c1OC)CC[C@@]2(O)C[NH3+] ZINC000019727373 175222130 /nfs/dbraw/zinc/22/21/30/175222130.db2.gz DXTMJYJZGMHIQS-GFCCVEGCSA-N 1 0 223.272 0.796 10 0 BCAERO COc1cccc(-c2nnnn2CC[NH3+])c1 ZINC000042199210 175238870 /nfs/dbraw/zinc/23/88/70/175238870.db2.gz VZUNSLJJCQDBQC-UHFFFAOYSA-N 1 0 219.248 0.307 10 0 BCAERO COc1cccc(C(=O)N[C@@H]2C[C@@H]2[NH3+])c1O ZINC000036234050 175246174 /nfs/dbraw/zinc/24/61/74/175246174.db2.gz IUHRKEHTKZLQCR-JGVFFNPUSA-N 1 0 222.244 0.230 10 0 BCAERO COc1cccc(C[C@@H]2C[NH2+]CCN2)c1 ZINC000071510118 175271947 /nfs/dbraw/zinc/27/19/47/175271947.db2.gz DRKUIOHLHFFGOP-LLVKDONJSA-N 1 0 206.289 0.799 10 0 BCAERO COc1cccc(NC(=O)N[C@H]2C[C@H]2[NH3+])c1 ZINC000041047761 175276980 /nfs/dbraw/zinc/27/69/80/175276980.db2.gz YTQZFNNJWODORK-ZJUUUORDSA-N 1 0 221.260 0.916 10 0 BCAERO COc1cccc(OCC[C@H]([NH3+])CO)c1 ZINC000071518189 175283012 /nfs/dbraw/zinc/28/30/12/175283012.db2.gz HQXZKRRJBSKTFQ-VIFPVBQESA-N 1 0 211.261 0.784 10 0 BCAERO COc1cccc([C@@H](C)[NH2+][C@H]2CC(=O)NC2=O)c1 ZINC000037788892 175288100 /nfs/dbraw/zinc/28/81/00/175288100.db2.gz JYUZSPHXZBMFMF-KCJUWKMLSA-N 1 0 248.282 0.761 10 0 BCAERO COc1cccc([C@H](C[NH2+]CCO)N(C)C)c1 ZINC000020070600 175293870 /nfs/dbraw/zinc/29/38/70/175293870.db2.gz LWLADZUAAQJXET-ZDUSSCGKSA-N 1 0 238.331 0.880 10 0 BCAERO COc1cccc([C@H]([NH3+])CS(C)(=O)=O)c1 ZINC000052788771 175293962 /nfs/dbraw/zinc/29/39/62/175293962.db2.gz IYHODHDEOLUECX-SNVBAGLBSA-N 1 0 229.301 0.740 10 0 BCAERO COc1cccc([C@H]([NH3+])Cn2cnccc2=O)c1 ZINC000104269526 175294571 /nfs/dbraw/zinc/29/45/71/175294571.db2.gz ASZYYFPJVDSYEV-GFCCVEGCSA-N 1 0 245.282 0.952 10 0 BCAERO COc1cccc2c1S(=O)(=O)CC[C@@H]2[NH3+] ZINC000041030808 175305352 /nfs/dbraw/zinc/30/53/52/175305352.db2.gz FIFKYFMREHIKHI-QMMMGPOBSA-N 1 0 227.285 0.872 10 0 BCAERO COc1ccccc1-c1n[nH]c(C[NH3+])n1 ZINC000071508854 175310838 /nfs/dbraw/zinc/31/08/38/175310838.db2.gz WCRDJELQKLPBGB-UHFFFAOYSA-N 1 0 204.233 0.939 10 0 BCAERO COc1ccccc1OCC[C@H]([NH3+])CO ZINC000071518185 175341990 /nfs/dbraw/zinc/34/19/90/175341990.db2.gz CIRJNAIVMYSFET-VIFPVBQESA-N 1 0 211.261 0.784 10 0 BCAERO COc1ccccc1[C@@H](C[NH3+])N1CCNC(=O)C1 ZINC000043096752 175345730 /nfs/dbraw/zinc/34/57/30/175345730.db2.gz LMEJYVHMWAWBBP-LLVKDONJSA-N 1 0 249.314 0.127 10 0 BCAERO COc1ccccc1[C@@H](C[NH3+])N(C)CCO ZINC000020225742 175346308 /nfs/dbraw/zinc/34/63/08/175346308.db2.gz VZVNRCUKOQFKBX-LLVKDONJSA-N 1 0 224.304 0.619 10 0 BCAERO COc1ccccc1[C@H]1NC(=O)CC[C@H]1[NH3+] ZINC000057501497 175355493 /nfs/dbraw/zinc/35/54/93/175355493.db2.gz DUXPHEOMSUMWAR-BXKDBHETSA-N 1 0 220.272 0.974 10 0 BCAERO COc1ccnc(N2C[C@H]([NH3+])[C@@H](C)C2)n1 ZINC000235010956 175362454 /nfs/dbraw/zinc/36/24/54/175362454.db2.gz UURZGYHCSSCTCB-YUMQZZPRSA-N 1 0 208.265 0.269 10 0 BCAERO COc1ccnc(N2C[C@H](C[NH3+])C[C@@H]2C)n1 ZINC000127046027 175363541 /nfs/dbraw/zinc/36/35/41/175363541.db2.gz WNXMLYWZNSNNSI-IUCAKERBSA-N 1 0 222.292 0.659 10 0 BCAERO COc1nc(Cl)nc(N[C@H]2C[C@H]2[NH3+])n1 ZINC000061514706 175392526 /nfs/dbraw/zinc/39/25/26/175392526.db2.gz NCNHLXSQUSRIEW-DMTCNVIQSA-N 1 0 215.644 0.045 10 0 BCAERO COc1nc(Cl)nc(OC[C@H]2CCC[NH2+]2)n1 ZINC000061514984 175392861 /nfs/dbraw/zinc/39/28/61/175392861.db2.gz RFYCZSMQOXQGNS-ZCFIWIBFSA-N 1 0 244.682 0.664 10 0 BCAERO COc1ncc(C)cc1NC(=O)[C@H](C)[NH3+] ZINC000157388827 175398502 /nfs/dbraw/zinc/39/85/02/175398502.db2.gz KHTBVUSKSHEAEC-ZETCQYMHSA-N 1 0 209.249 0.684 10 0 BCAERO COc1ncc(CNCC[NH+](C)C)s1 ZINC000045205437 175398791 /nfs/dbraw/zinc/39/87/91/175398791.db2.gz NLFYGPJFZOQQKW-UHFFFAOYSA-N 1 0 215.322 0.803 10 0 BCAERO COc1nccnc1CN(C)C[C@H]1CCC[NH2+]1 ZINC000095071592 175411384 /nfs/dbraw/zinc/41/13/84/175411384.db2.gz JNBDWADGYGGPAY-SNVBAGLBSA-N 1 0 236.319 0.669 10 0 BCAERO COc1nccnc1COC[C@@H]1CCC[NH2+]1 ZINC000095071645 175412690 /nfs/dbraw/zinc/41/26/90/175412690.db2.gz GOLMIAKSZNAXDY-VIFPVBQESA-N 1 0 223.276 0.754 10 0 BCAERO CS(=O)(=O)CCC[NH2+]C[C@H]1CCCO1 ZINC000038048230 175421391 /nfs/dbraw/zinc/42/13/91/175421391.db2.gz WLEPYBYFBDVZPL-SECBINFHSA-N 1 0 221.322 0.190 10 0 BCAERO CS(=O)(=O)CC[C@@H]([NH3+])C1CCCC1 ZINC000053830030 175424628 /nfs/dbraw/zinc/42/46/28/175424628.db2.gz AZONCNFUXPIKEY-SECBINFHSA-N 1 0 205.323 0.939 10 0 BCAERO CS(=O)(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000013766754 175433615 /nfs/dbraw/zinc/43/36/15/175433615.db2.gz ZDFDNWSKWRKAEF-UHFFFAOYSA-N 1 0 226.301 0.704 10 0 BCAERO CS(=O)(=O)[C@@H]1CCC[C@@H](N2CC[NH2+]CC2)C1 ZINC000074942544 175435346 /nfs/dbraw/zinc/43/53/46/175435346.db2.gz PHOJRAQCSDJSFX-GHMZBOCLSA-N 1 0 246.376 0.247 10 0 BCAERO CS(=O)(=O)[C@H]1Cc2ccccc2[C@@H]1[NH3+] ZINC000054930030 175436676 /nfs/dbraw/zinc/43/66/76/175436676.db2.gz DVNJRRQVEOJEQP-UWVGGRQHSA-N 1 0 211.286 0.656 10 0 BCAERO CSCC(=O)N1CC[C@H]2C[NH2+]C[C@@H]21 ZINC000077452061 175457411 /nfs/dbraw/zinc/45/74/11/175457411.db2.gz XRIQHRYAWUCKQS-YUMQZZPRSA-N 1 0 200.307 0.170 10 0 BCAERO CSCCC[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC000037982752 175487088 /nfs/dbraw/zinc/48/70/88/175487088.db2.gz ZQJCCRJARIPATN-VIFPVBQESA-N 1 0 237.390 0.764 10 0 BCAERO CSCc1noc([C@H](C)N2CC[NH2+]CC2)n1 ZINC000054494060 175533832 /nfs/dbraw/zinc/53/38/32/175533832.db2.gz AMNNNGKIVXGWGX-QMMMGPOBSA-N 1 0 242.348 0.899 10 0 BCAERO C[C@@H](C[NH3+])C(=O)N1CCOCC1(C)C ZINC000044804530 175704803 /nfs/dbraw/zinc/70/48/03/175704803.db2.gz DFAXOYXQXVRAFC-QMMMGPOBSA-N 1 0 200.282 0.219 10 0 BCAERO C[C@@H]([NH3+])C(=O)NCc1ccc(OCC2CC2)nc1 ZINC000157265107 175798424 /nfs/dbraw/zinc/79/84/24/175798424.db2.gz AZMCRFXUVWRPNB-SECBINFHSA-N 1 0 249.314 0.834 10 0 BCAERO C[C@@H]([NH3+])CNC(=O)c1cnn(-c2ccccc2)c1 ZINC000104228115 175806789 /nfs/dbraw/zinc/80/67/89/175806789.db2.gz UECFDFDHVNZUMH-SNVBAGLBSA-N 1 0 244.298 0.949 10 0 BCAERO C[C@@H]([NH3+])Cc1cnn(C[C@H]2CCOC2)c1 ZINC000054741456 175807965 /nfs/dbraw/zinc/80/79/65/175807965.db2.gz MBDIXULAQJWCSG-NXEZZACHSA-N 1 0 209.293 0.809 10 0 BCAERO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)[C@@H]1CCCO1 ZINC000063193583 175813150 /nfs/dbraw/zinc/81/31/50/175813150.db2.gz JGTUAUMPLLTPHU-MXWKQRLJSA-N 1 0 226.320 0.894 10 0 BCAERO C[C@@H](NC(=O)CN(C)C1C[NH2+]C1)c1ccccc1 ZINC000090290510 175830604 /nfs/dbraw/zinc/83/06/04/175830604.db2.gz YYIBSOJJJIYTFY-LLVKDONJSA-N 1 0 247.342 0.767 10 0 BCAERO C[C@@H]([NH2+][C@H]1CCS(=O)(=O)C1)c1ccncc1 ZINC000019899939 175927031 /nfs/dbraw/zinc/92/70/31/175927031.db2.gz XJVMXHHHKKBSLX-KOLCDFICSA-N 1 0 240.328 0.919 10 0 BCAERO C[C@@H](O)CN(C)C(=O)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000051838504 175964071 /nfs/dbraw/zinc/96/40/71/175964071.db2.gz INZAONOEPCKRAD-MFKMUULPSA-N 1 0 248.326 0.540 10 0 BCAERO C[C@@H](O)CN(C)C(=O)c1ccc(C[NH3+])cc1 ZINC000051818520 175964614 /nfs/dbraw/zinc/96/46/14/175964614.db2.gz HFEFOSXHFDMQOC-SECBINFHSA-N 1 0 222.288 0.598 10 0 BCAERO C[C@@H](OC1CC[NH2+]CC1)C(=O)N(C)C ZINC000036963143 176002245 /nfs/dbraw/zinc/00/22/45/176002245.db2.gz SXFHDPNBXJTOLU-MRVPVSSYSA-N 1 0 200.282 0.232 10 0 BCAERO C[C@@H](OC[C@@H]1CCC[NH2+]1)C(=O)N(C)C ZINC000051816232 176002916 /nfs/dbraw/zinc/00/29/16/176002916.db2.gz ZVABUFBLTPQJFH-BDAKNGLRSA-N 1 0 200.282 0.232 10 0 BCAERO C[C@@H]([C@H]1CCCC[NH2+]1)N1CCCS1(=O)=O ZINC000035688654 176011890 /nfs/dbraw/zinc/01/18/90/176011890.db2.gz ONPURDMHEMKNNP-VHSXEESVSA-N 1 0 232.349 0.553 10 0 BCAERO C[C@@H]([C@H](O)c1ccccc1)N(C)C(=O)C[NH3+] ZINC000006467998 176012060 /nfs/dbraw/zinc/01/20/60/176012060.db2.gz RASDPMXCBLHKCI-CABZTGNLSA-N 1 0 222.288 0.526 10 0 BCAERO C[C@@H](c1cccnc1)N1C[C@@H]([NH3+])CC1=O ZINC000035692796 176030213 /nfs/dbraw/zinc/03/02/13/176030213.db2.gz UENUMTPMIWCVIR-WPRPVWTQSA-N 1 0 205.261 0.702 10 0 BCAERO C[C@H](C1CC[NH2+]CC1)N1C(=O)C[C@@H](C)C1=O ZINC000038051927 176049037 /nfs/dbraw/zinc/04/90/37/176049037.db2.gz VCLTXMKRDHMUDV-RKDXNWHRSA-N 1 0 224.304 0.770 10 0 BCAERO C[C@@H]1CCCC[N@@H+]1CC[C@H]([NH3+])C(=O)[O-] ZINC000062440386 176071571 /nfs/dbraw/zinc/07/15/71/176071571.db2.gz AMTIHCGBZSVRAT-BDAKNGLRSA-N 1 0 200.282 0.663 10 0 BCAERO C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CS(=O)(=O)C[C@@H]1O ZINC000004339977 176081939 /nfs/dbraw/zinc/08/19/39/176081939.db2.gz XMKDWHLIEMVMCH-YTWAJWBKSA-N 1 0 247.360 0.313 10 0 BCAERO C[C@@H]1CCCC[C@]1(C(N)=O)N1CC[NH2+]CC1 ZINC000037945622 176090574 /nfs/dbraw/zinc/09/05/74/176090574.db2.gz NXLCBEXEGKXTJL-PWSUYJOCSA-N 1 0 225.336 0.326 10 0 BCAERO C[C@@H]1CCC[NH2+][C@@H]1C(=O)Nc1ccnn1C ZINC000051794825 176112403 /nfs/dbraw/zinc/11/24/03/176112403.db2.gz ZEELILIWXNHVQN-SCZZXKLOSA-N 1 0 222.292 0.747 10 0 BCAERO C[C@@H]1CCC[C@@H](C(=O)NCCn2cccn2)[NH2+]1 ZINC000042542772 176112751 /nfs/dbraw/zinc/11/27/51/176112751.db2.gz KDDZZMASKQVANR-MNOVXSKESA-N 1 0 236.319 0.530 10 0 BCAERO C[C@@H]1CCC[C@@H](c2nnnn2CC[NH3+])C1 ZINC000044981489 176126062 /nfs/dbraw/zinc/12/60/62/176126062.db2.gz RNLSETKKZFDIEA-RKDXNWHRSA-N 1 0 209.297 0.926 10 0 BCAERO C[C@@H]1CCC[C@@](C(N)=O)(N2CC[NH2+]CC2)C1 ZINC000037945632 176133640 /nfs/dbraw/zinc/13/36/40/176133640.db2.gz REHKDFXSLDHJCR-ZYHUDNBSSA-N 1 0 225.336 0.326 10 0 BCAERO C[C@@H]1CCC[C@H]([NH3+])[C@@H]1C(=O)NC[C@@H]1CCOC1 ZINC000061148906 176140241 /nfs/dbraw/zinc/14/02/41/176140241.db2.gz IIEMATCFHDTKKF-NOOOWODRSA-N 1 0 240.347 0.903 10 0 BCAERO C[C@@H]1CCN(CC(=O)NC(C)(C)C)[C@@H](C[NH3+])C1 ZINC000224846611 176166631 /nfs/dbraw/zinc/16/66/31/176166631.db2.gz RZNHMSPPRFAAFS-GHMZBOCLSA-N 1 0 241.379 0.960 10 0 BCAERO C[C@@H]1CC[N@H+](Cc2nc3c(cnn3C)c(N)n2)C1 ZINC000063078337 176176989 /nfs/dbraw/zinc/17/69/89/176176989.db2.gz NBSPOSMBXLWACH-MRVPVSSYSA-N 1 0 246.318 0.787 10 0 BCAERO C[C@@H]1CCN(S(=O)(=O)C2CC2)[C@@H](C[NH3+])C1 ZINC000235346155 176179222 /nfs/dbraw/zinc/17/92/22/176179222.db2.gz DVOWCTCRQFWENJ-RKDXNWHRSA-N 1 0 232.349 0.538 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)N2CCC(O)CC2)C[NH2+]1 ZINC000019470163 176219429 /nfs/dbraw/zinc/21/94/29/176219429.db2.gz FLLSSWKOFZCDTB-ZJUUUORDSA-N 1 0 226.320 0.358 10 0 BCAERO C[C@@H]1CC[C@H]([NH3+])C[C@@H]1C(=O)NC(C)(C)C(N)=O ZINC000055136375 176228494 /nfs/dbraw/zinc/22/84/94/176228494.db2.gz MHWXPSGNAMOJJB-VGMNWLOBSA-N 1 0 241.335 0.130 10 0 BCAERO C[C@@H]1CN(C(=O)CC[NH2+]C2CC2)C[C@@H](C)O1 ZINC000037478052 176245772 /nfs/dbraw/zinc/24/57/72/176245772.db2.gz PVABBZMLVNXPGR-NXEZZACHSA-N 1 0 226.320 0.764 10 0 BCAERO C[C@@H]1CN(C(=O)C[C@H]2CC[NH2+]C2)C[C@@H](C)O1 ZINC000227720558 176248369 /nfs/dbraw/zinc/24/83/69/176248369.db2.gz XYFNHXPTQZINTH-GMTAPVOTSA-N 1 0 226.320 0.622 10 0 BCAERO C[C@@H]1CN(C(=O)NC2CCCC2)C[C@@H]1[NH3+] ZINC000235349123 176250795 /nfs/dbraw/zinc/25/07/95/176250795.db2.gz RCUXYUQNPMNVGW-SCZZXKLOSA-N 1 0 211.309 0.918 10 0 BCAERO C[C@@H]1CN(C(=O)[C@@H]2CC[NH2+]C2)CC(C)(C)O1 ZINC000062116692 176255477 /nfs/dbraw/zinc/25/54/77/176255477.db2.gz AWANLIBPCITDMQ-NXEZZACHSA-N 1 0 226.320 0.622 10 0 BCAERO C[C@@H]1CN(C(=O)[C@@](C)([NH3+])C2CC2)CCCO1 ZINC000061920377 176256799 /nfs/dbraw/zinc/25/67/99/176256799.db2.gz JCCALAZXDUCYAL-SKDRFNHKSA-N 1 0 226.320 0.751 10 0 BCAERO C[C@@H]1CN(C(=O)[C@H]2CCC[NH2+]C2)CCS1 ZINC000123338674 176258162 /nfs/dbraw/zinc/25/81/62/176258162.db2.gz UOICIJVLUKHSCX-ZJUUUORDSA-N 1 0 228.361 0.950 10 0 BCAERO C[C@@H]1CN(C(=O)[C@H]2C[C@@H]2C2CC2)CC[NH2+]1 ZINC000237620521 176259015 /nfs/dbraw/zinc/25/90/15/176259015.db2.gz NJBBLZDSMKVZPM-IEBDPFPHSA-N 1 0 208.305 0.853 10 0 BCAERO C[C@@H]1CN(C(=O)[C@]2(C)CC[NH2+]C2)C[C@@H](C)O1 ZINC000062887367 176259028 /nfs/dbraw/zinc/25/90/28/176259028.db2.gz DNMYJXDOOJFTLD-CKYFFXLPSA-N 1 0 226.320 0.622 10 0 BCAERO C[C@@H]1CN(C(=O)c2ccc(=O)[nH]c2)C[C@H]1[NH+](C)C ZINC000089710040 176260296 /nfs/dbraw/zinc/26/02/96/176260296.db2.gz PXYXFGSOTFSTIH-MWLCHTKSSA-N 1 0 249.314 0.397 10 0 BCAERO C[C@@H]1CN(C(=O)c2ccc3c(c2)OCO3)C[C@@H]1[NH3+] ZINC000235376295 176261518 /nfs/dbraw/zinc/26/15/18/176261518.db2.gz CQAFDZBOBKIZLH-SCZZXKLOSA-N 1 0 248.282 0.835 10 0 BCAERO C[C@@H]1CN(C2(C[NH3+])CCOCC2)CCCO1 ZINC000061915173 176280484 /nfs/dbraw/zinc/28/04/84/176280484.db2.gz KLLCELZCVGCFDA-LLVKDONJSA-N 1 0 228.336 0.605 10 0 BCAERO C[C@@H]1CN(C2CCS(=O)(=O)CC2)CC[C@@H]1[NH3+] ZINC000049711436 176283343 /nfs/dbraw/zinc/28/33/43/176283343.db2.gz KDBFUNXKEKCRMM-KOLCDFICSA-N 1 0 246.376 0.233 10 0 BCAERO C[C@@H]1CN(CC(=O)NCc2ccccc2)C[C@@H]1[NH3+] ZINC000235340727 176283895 /nfs/dbraw/zinc/28/38/95/176283895.db2.gz ZLXDSISXPUFIBP-YPMHNXCESA-N 1 0 247.342 0.582 10 0 BCAERO C[C@@H]1CN(Cc2cc(C[NH3+])co2)CCO1 ZINC000052382573 176301564 /nfs/dbraw/zinc/30/15/64/176301564.db2.gz DCOAIBWRUMGYRN-SECBINFHSA-N 1 0 210.277 0.959 10 0 BCAERO C[C@@H]1CN(Cc2cc(C[NH3+])no2)CCO1 ZINC000052382560 176302354 /nfs/dbraw/zinc/30/23/54/176302354.db2.gz KQXWKNGBJSIJSY-MRVPVSSYSA-N 1 0 211.265 0.354 10 0 BCAERO C[C@@H]1CN(S(=O)(=O)CC2CC2)C[C@@H]1[NH3+] ZINC000235336567 176312975 /nfs/dbraw/zinc/31/29/75/176312975.db2.gz KXZDCLLLTPHJPX-APPZFPTMSA-N 1 0 218.322 0.005 10 0 BCAERO C[C@@H]1CN([C@@H](C[NH3+])C2CCOCC2)C[C@@H](C)O1 ZINC000052176510 176315912 /nfs/dbraw/zinc/31/59/12/176315912.db2.gz MYQSIIUFIQVQJN-WZRBSPASSA-N 1 0 242.363 0.850 10 0 BCAERO C[C@@H]1CN([C@]2(C[NH3+])CCSC2)CCO1 ZINC000034679247 176317509 /nfs/dbraw/zinc/31/75/09/176317509.db2.gz LTTUTPOSRUEIHW-ZJUUUORDSA-N 1 0 216.350 0.542 10 0 BCAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cnccn1 ZINC000247477946 176322817 /nfs/dbraw/zinc/32/28/17/176322817.db2.gz SJJSKMDBIDDYOK-MNOVXSKESA-N 1 0 246.314 0.785 10 0 BCAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CCS(C)(=O)=O ZINC000082699239 176323090 /nfs/dbraw/zinc/32/30/90/176323090.db2.gz NFHOMBWSXQIDMM-GHMZBOCLSA-N 1 0 246.376 0.200 10 0 BCAERO C[C@@H]1C[NH2+]CCCN1C(=O)C(F)(F)F ZINC000062570214 176323916 /nfs/dbraw/zinc/32/39/16/176323916.db2.gz WFXARLAPLKZYDN-ZCFIWIBFSA-N 1 0 210.199 0.759 10 0 BCAERO C[C@@H]1C[NH2+]CCCN([C@@H]2CCS(=O)(=O)C2)C1 ZINC000049664145 176324488 /nfs/dbraw/zinc/32/44/88/176324488.db2.gz QLWZEBSIXSTXSW-GHMZBOCLSA-N 1 0 246.376 0.105 10 0 BCAERO C[C@@H]1C[NH2+]CCN1CC(=O)c1ccncc1 ZINC000067799754 176326950 /nfs/dbraw/zinc/32/69/50/176326950.db2.gz OBJZPEZWGJFBKU-SNVBAGLBSA-N 1 0 219.288 0.558 10 0 BCAERO C[C@@H]1C[NH2+]C[C@@H]1C(=O)Nc1ccccc1CO ZINC000104205024 176329083 /nfs/dbraw/zinc/32/90/83/176329083.db2.gz YFIYPOOBUOWYBO-KOLCDFICSA-N 1 0 234.299 0.973 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)NCC[C@H]1CCCCO1 ZINC000224078482 176329645 /nfs/dbraw/zinc/32/96/45/176329645.db2.gz JEVQSNSOBQHXAJ-IJLUTSLNSA-N 1 0 240.347 0.917 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N(C)C[C@@H]1CCCCO1 ZINC000111271794 176330276 /nfs/dbraw/zinc/33/02/76/176330276.db2.gz FXNUDMZZUKNDIE-GRYCIOLGSA-N 1 0 240.347 0.869 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCO[C@H]2CCC[C@@H]21 ZINC000111272002 176330282 /nfs/dbraw/zinc/33/02/82/176330282.db2.gz JHJOZICZNMFKEC-WYUUTHIRSA-N 1 0 238.331 0.622 10 0 BCAERO C[C@@H]1COCCN1C(=O)CC[C@@H]1CC[NH2+]C1 ZINC000134481584 176334034 /nfs/dbraw/zinc/33/40/34/176334034.db2.gz HLWIQHLEUCDOFR-GHMZBOCLSA-N 1 0 226.320 0.623 10 0 BCAERO C[C@@H]1COCCN1Cc1cccnc1C(N)=[NH2+] ZINC000061657979 176337532 /nfs/dbraw/zinc/33/75/32/176337532.db2.gz HAPIWWDNVWCXTM-SECBINFHSA-N 1 0 234.303 0.586 10 0 BCAERO C[C@@H]1COC[C@@H](C)N1C(=O)C[C@H]1CCC[NH2+]1 ZINC000246212322 176346343 /nfs/dbraw/zinc/34/63/43/176346343.db2.gz FXEGBVUFNDBGBV-GMTAPVOTSA-N 1 0 226.320 0.764 10 0 BCAERO C[C@@H]1C[C@@H]([NH3+])CC[C@@H]1C(=O)NC(C)(C)C(N)=O ZINC000055136403 176371144 /nfs/dbraw/zinc/37/11/44/176371144.db2.gz GIQDZFIOYXMQED-VGMNWLOBSA-N 1 0 241.335 0.130 10 0 BCAERO C[C@@H]1C[C@@H]1C(=O)N1CCCN(CC[NH3+])CC1 ZINC000037038376 176385605 /nfs/dbraw/zinc/38/56/05/176385605.db2.gz BCRRQACIGBFWSM-MNOVXSKESA-N 1 0 225.336 0.135 10 0 BCAERO C[C@@H]1C[C@@H]1C(=O)N1CCN(CCC[NH3+])CC1 ZINC000037037771 176385887 /nfs/dbraw/zinc/38/58/87/176385887.db2.gz MMGKTPMORLSKPV-MNOVXSKESA-N 1 0 225.336 0.135 10 0 BCAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]C[C@H]1CCCO1 ZINC000336752425 176455400 /nfs/dbraw/zinc/45/54/00/176455400.db2.gz GVSQMAQNURALOM-AEJSXWLSSA-N 1 0 212.293 0.422 10 0 BCAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]CCn1cccn1 ZINC000282401779 176455763 /nfs/dbraw/zinc/45/57/63/176455763.db2.gz PRZXISGZPONYTF-UWVGGRQHSA-N 1 0 222.292 0.140 10 0 BCAERO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)NC1CCC1 ZINC000127907706 176458710 /nfs/dbraw/zinc/45/87/10/176458710.db2.gz URQLBJWVIVQJBY-WPRPVWTQSA-N 1 0 211.309 0.979 10 0 BCAERO C[C@@](CO)(c1ccccc1)N1CC[NH2+]CC1 ZINC000038120645 176510069 /nfs/dbraw/zinc/51/00/69/176510069.db2.gz LRVPHDDIJSCLKE-CYBMUJFWSA-N 1 0 220.316 0.799 10 0 BCAERO C[C@@]([NH3+])(C(=O)N1CCC[C@@H]1CO)c1ccccc1 ZINC000052882798 176510917 /nfs/dbraw/zinc/51/09/17/176510917.db2.gz KHHGAOUMEGANLI-OCCSQVGLSA-N 1 0 248.326 0.844 10 0 BCAERO C[C@@](O)(C[NH2+]C1COC1)c1ccccc1 ZINC000087195188 176517991 /nfs/dbraw/zinc/51/79/91/176517991.db2.gz TXTRCRQDYPZUND-GFCCVEGCSA-N 1 0 207.273 0.883 10 0 BCAERO C[C@@]1(C(=O)N2CCC[C@@H]2CCCO)CC[NH2+]C1 ZINC000062903953 176523174 /nfs/dbraw/zinc/52/31/74/176523174.db2.gz BBZMWXOJBLKNOR-DGCLKSJQSA-N 1 0 240.347 0.750 10 0 BCAERO C[C@@]1(C(=O)NC[C@@H](O)C(F)(F)F)CC[NH2+]C1 ZINC000226320716 176524788 /nfs/dbraw/zinc/52/47/88/176524788.db2.gz HSJOBOMZIOCNEC-HTRCEHHLSA-N 1 0 240.225 0.025 10 0 BCAERO C[C@H](C(=O)N(C)C[C@H]1CCCO1)C1C[NH2+]C1 ZINC000129181668 176558938 /nfs/dbraw/zinc/55/89/38/176558938.db2.gz MSRSSUNBTCXJJL-GXSJLCMTSA-N 1 0 226.320 0.479 10 0 BCAERO C[C@H](C(=O)N1CCOC[C@H]1C)C1C[NH2+]C1 ZINC000129099245 176563759 /nfs/dbraw/zinc/56/37/59/176563759.db2.gz FFVMLDQDUJTLPA-BDAKNGLRSA-N 1 0 212.293 0.089 10 0 BCAERO C[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2)n1cccn1 ZINC000040740447 176569711 /nfs/dbraw/zinc/56/97/11/176569711.db2.gz JHNLALPZBQOJHL-YIBTVLSRSA-N 1 0 248.330 0.843 10 0 BCAERO C[C@H](CC(N)=O)[NH2+]C[C@H]1CCCC[C@H]1O ZINC000336758034 176609355 /nfs/dbraw/zinc/60/93/55/176609355.db2.gz KHZDCGNRDOSJBJ-OPRDCNLKSA-N 1 0 214.309 0.391 10 0 BCAERO C[C@H](C[NH3+])C(=O)NC[C@@H]1Cc2ccccc2O1 ZINC000051087087 176656751 /nfs/dbraw/zinc/65/67/51/176656751.db2.gz HVVSABDKYQYZFN-KOLCDFICSA-N 1 0 234.299 0.701 10 0 BCAERO C[C@H](C[NH3+])CN(C)C(=O)[C@@H]1CCOC1 ZINC000042455332 176658173 /nfs/dbraw/zinc/65/81/73/176658173.db2.gz DRKDPVYWDOEQAX-RKDXNWHRSA-N 1 0 200.282 0.076 10 0 BCAERO C[C@H](CN1CCOCC1)NC1=[NH+]C[C@@H](C)S1 ZINC000049510397 176667979 /nfs/dbraw/zinc/66/79/79/176667979.db2.gz ADHXBVNUEPRISR-NXEZZACHSA-N 1 0 243.376 0.788 10 0 BCAERO C[C@H](CO)CNC(=O)c1ccc(C[NH3+])cc1 ZINC000083385893 176692582 /nfs/dbraw/zinc/69/25/82/176692582.db2.gz AHAUBWIHRDRGDH-VIFPVBQESA-N 1 0 222.288 0.504 10 0 BCAERO CC(C)[C@H](C)[NH2+]C[C@@H](O)Cn1cccn1 ZINC000037885464 487635158 /nfs/dbraw/zinc/63/51/58/487635158.db2.gz LJNOCKQRVRXBGY-WDEREUQCSA-N 1 0 211.309 0.878 10 0 BCAERO C[C@H]([NH3+])CC(=O)N1CCCC[C@H]1CO ZINC000037476348 176756147 /nfs/dbraw/zinc/75/61/47/176756147.db2.gz OPEPGBKJUGGWNZ-IUCAKERBSA-N 1 0 200.282 0.097 10 0 BCAERO C[C@H]([NH3+])CC(=O)Nc1nnc(C2CC2)o1 ZINC000040859865 176757779 /nfs/dbraw/zinc/75/77/79/176757779.db2.gz YYTLBOHKZFGNBY-YFKPBYRVSA-N 1 0 210.237 0.623 10 0 BCAERO C[C@H]([NH3+])Cc1cnn(C[C@@H]2CCCO2)c1 ZINC000054741339 176762714 /nfs/dbraw/zinc/76/27/14/176762714.db2.gz SMRBFOUEHSDEGK-ONGXEEELSA-N 1 0 209.293 0.952 10 0 BCAERO C[C@H]([NH3+])Cc1cnn([C@H]2CCS(=O)(=O)C2)c1 ZINC000054741439 176762744 /nfs/dbraw/zinc/76/27/44/176762744.db2.gz VVPIBRITRGTIGP-WPRPVWTQSA-N 1 0 243.332 0.132 10 0 BCAERO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)c1ccc[nH]c1=O ZINC000063193290 176772290 /nfs/dbraw/zinc/77/22/90/176772290.db2.gz FISBRQLJAZTFND-GXSJLCMTSA-N 1 0 249.314 0.717 10 0 BCAERO C[C@H]([NH2+][C@@H]1CCCNC1=O)[C@H]1CCCO1 ZINC000309031698 176895468 /nfs/dbraw/zinc/89/54/68/176895468.db2.gz CCABBDZDPAFQJV-IVZWLZJFSA-N 1 0 212.293 0.422 10 0 BCAERO C[C@H](N[C@H]1CCC[NH2+]C1)c1nncn1C ZINC000043326349 176920345 /nfs/dbraw/zinc/92/03/45/176920345.db2.gz ZSVKUNMMHSUVHO-IUCAKERBSA-N 1 0 209.297 0.218 10 0 BCAERO C[C@H](O)[C@@H]([NH3+])c1nncn1C1CCCC1 ZINC000054526410 177007675 /nfs/dbraw/zinc/00/76/75/177007675.db2.gz PZIWZTQZWULJSR-IONNQARKSA-N 1 0 210.281 0.774 10 0 BCAERO C[C@H](O)[C@H]([NH3+])c1nnc2n1CCCCC2 ZINC000036896177 177013714 /nfs/dbraw/zinc/01/37/14/177013714.db2.gz VOGMIVHLSHZGPW-CBAPKCEASA-N 1 0 210.281 0.385 10 0 BCAERO C[C@H](OC[C@@H]1CC[NH2+]C1)C(=O)N(C)C ZINC000051888140 177021230 /nfs/dbraw/zinc/02/12/30/177021230.db2.gz MEOZCGQSUIZDEQ-DTWKUNHWSA-N 1 0 200.282 0.089 10 0 BCAERO C[C@H](O[C@@H]1CCC[NH2+]C1)C(=O)NC1CC1 ZINC000020422762 177021919 /nfs/dbraw/zinc/02/19/19/177021919.db2.gz DVMFUIWZTPTNLK-WCBMZHEXSA-N 1 0 212.293 0.422 10 0 BCAERO C[C@H]([C@H]1CCC[NH2+]C1)N1CCCNC1=O ZINC000043373294 177031915 /nfs/dbraw/zinc/03/19/15/177031915.db2.gz SNTOXCDCBWNJBD-ZJUUUORDSA-N 1 0 211.309 0.790 10 0 BCAERO C[C@H]([C@H]1CCCC[NH2+]1)N1CCCNC1=O ZINC000043373341 177032302 /nfs/dbraw/zinc/03/23/02/177032302.db2.gz AUMMZAPSGVGSQP-NXEZZACHSA-N 1 0 211.309 0.932 10 0 BCAERO C[C@H](c1cccc(F)c1)n1nnnc1C[NH3+] ZINC000054747605 177036714 /nfs/dbraw/zinc/03/67/14/177036714.db2.gz NRAGXEDUPOZAGL-SSDOTTSWSA-N 1 0 221.239 0.880 10 0 BCAERO C[C@@H]([NH3+])CS(=O)(=O)N1CCCC[C@@H]1C ZINC000041234334 177079031 /nfs/dbraw/zinc/07/90/31/177079031.db2.gz PGDFSDRSHLXIEA-BDAKNGLRSA-N 1 0 220.338 0.538 10 0 BCAERO C[C@H]1CCCC[C@H]1NS(=O)(=O)CC[NH3+] ZINC000022177300 177088461 /nfs/dbraw/zinc/08/84/61/177088461.db2.gz IRWFLRLYQWCQME-DTWKUNHWSA-N 1 0 220.338 0.443 10 0 BCAERO C[C@H]1CCCN1S(=O)(=O)C[C@@H]1CCCC[NH2+]1 ZINC000049631221 177110557 /nfs/dbraw/zinc/11/05/57/177110557.db2.gz KMOOJCPNCIPDSI-QWRGUYRKSA-N 1 0 246.376 0.943 10 0 BCAERO C[C@H]1CCC[NH2+][C@H]1CNC(=O)c1cnn(C)c1 ZINC000071338723 177112684 /nfs/dbraw/zinc/11/26/84/177112684.db2.gz VNNXVNMLBYZOPK-ONGXEEELSA-N 1 0 236.319 0.538 10 0 BCAERO C[C@H]1CCC[C@@H](NS(=O)(=O)CC[NH3+])C1 ZINC000037115706 177122916 /nfs/dbraw/zinc/12/29/16/177122916.db2.gz FZURGLGERYQWPZ-DTWKUNHWSA-N 1 0 220.338 0.443 10 0 BCAERO C[C@H]1CCC[C@@](CO)([NH2+]Cc2cn(C)nn2)C1 ZINC000054861209 177127734 /nfs/dbraw/zinc/12/77/34/177127734.db2.gz IVRSRXVITPAZNB-CMPLNLGQSA-N 1 0 238.335 0.846 10 0 BCAERO C[C@H]1CCC[C@H](C(=O)NC[C@@H]2CCCO2)[NH2+]1 ZINC000019484729 177129493 /nfs/dbraw/zinc/12/94/93/177129493.db2.gz KDHGDUKFEMAHNH-GARJFASQSA-N 1 0 226.320 0.812 10 0 BCAERO C[C@H]1CCC[C@H](C)N1S(=O)(=O)CC[NH3+] ZINC000011584638 177132207 /nfs/dbraw/zinc/13/22/07/177132207.db2.gz POMUSURHKJSPRE-IUCAKERBSA-N 1 0 220.338 0.538 10 0 BCAERO C[C@H]1CCC[C@H](CNC(=O)c2ccnn2C)[NH2+]1 ZINC000061665448 177132990 /nfs/dbraw/zinc/13/29/90/177132990.db2.gz BMNNLRKEOCESCF-VHSXEESVSA-N 1 0 236.319 0.681 10 0 BCAERO C[C@H]1CCC[C@](CO)(NC(=O)C(C)(C)[NH3+])C1 ZINC000053127469 177143343 /nfs/dbraw/zinc/14/33/43/177143343.db2.gz MKMMKGWJWSIHFP-CABZTGNLSA-N 1 0 228.336 0.781 10 0 BCAERO C[C@H]1CCN(C(=O)N2CCOCC2)[C@@H](C[NH3+])C1 ZINC000235620286 177148940 /nfs/dbraw/zinc/14/89/40/177148940.db2.gz OVHGFDQBGJAADT-WDEREUQCSA-N 1 0 241.335 0.498 10 0 BCAERO C[C@H]1CC[N@H+](C[C@H](O)Cn2cc(N)cn2)C1 ZINC000040716939 177161639 /nfs/dbraw/zinc/16/16/39/177161639.db2.gz HWCTUNBQYPNHLN-ONGXEEELSA-N 1 0 224.308 0.168 10 0 BCAERO C[C@H]1CCN(Cc2ccnn2C)[C@@H](C[NH3+])C1 ZINC000235613869 177167032 /nfs/dbraw/zinc/16/70/32/177167032.db2.gz GVAACYOUZXOFFU-CMPLNLGQSA-N 1 0 222.336 0.979 10 0 BCAERO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1cccnc1N ZINC000052724919 177182144 /nfs/dbraw/zinc/18/21/44/177182144.db2.gz AEWRZPSENOQEAH-GXSJLCMTSA-N 1 0 248.330 0.750 10 0 BCAERO C[C@H]1CC[C@H]([NH2+]C(CO)CO)C[C@@H]1C ZINC000083690036 177204772 /nfs/dbraw/zinc/20/47/72/177204772.db2.gz ABIFHESQIMASMT-GUBZILKMSA-N 1 0 201.310 0.754 10 0 BCAERO C[C@H]1CC[C@H](OCC(=O)N2CCCC2)C[NH2+]1 ZINC000050211482 177206083 /nfs/dbraw/zinc/20/60/83/177206083.db2.gz MCZVLRPWUXXMDB-QWRGUYRKSA-N 1 0 226.320 0.766 10 0 BCAERO C[C@H]1CN(C(=O)CC[NH2+]C2CC2)C[C@H](C)O1 ZINC000037478051 177214904 /nfs/dbraw/zinc/21/49/04/177214904.db2.gz PVABBZMLVNXPGR-UWVGGRQHSA-N 1 0 226.320 0.764 10 0 BCAERO C[C@H]1CN(C(=O)CCc2ccncc2)C[C@H]1[NH3+] ZINC000235657154 177215324 /nfs/dbraw/zinc/21/53/24/177215324.db2.gz AGUYBHDTTIDQNS-CMPLNLGQSA-N 1 0 233.315 0.820 10 0 BCAERO C[C@H]1CN(C(=O)C[NH+](C)C)CCS1 ZINC000104901271 177216724 /nfs/dbraw/zinc/21/67/24/177216724.db2.gz KMUJIHPNAVFCOF-QMMMGPOBSA-N 1 0 202.323 0.512 10 0 BCAERO C[C@@H]1CN(C(=O)CSCC[NH3+])C[C@H](C)O1 ZINC000037035668 177217390 /nfs/dbraw/zinc/21/73/90/177217390.db2.gz LGXMJTPLSUHHTI-DTORHVGOSA-N 1 0 232.349 0.314 10 0 BCAERO C[C@H]1CN(C(=O)C[C@@H]2CCCC[NH2+]2)CCO1 ZINC000020597496 177217696 /nfs/dbraw/zinc/21/76/96/177217696.db2.gz HXEOFRFGONUJKX-QWRGUYRKSA-N 1 0 226.320 0.766 10 0 BCAERO C[C@H]1CN(C(=O)NCC2CC2)C[C@@H]1[NH+](C)C ZINC000336409547 177219817 /nfs/dbraw/zinc/21/98/17/177219817.db2.gz REVUCWOOPXMUFO-ONGXEEELSA-N 1 0 225.336 0.988 10 0 BCAERO C[C@H]1CN(C(=O)NC2CCCC2)C[C@@H]1[NH3+] ZINC000235638015 177220198 /nfs/dbraw/zinc/22/01/98/177220198.db2.gz RCUXYUQNPMNVGW-WPRPVWTQSA-N 1 0 211.309 0.918 10 0 BCAERO C[C@@H]1CO[C@@H](C)CN1C(=O)[C@@H]1CC[NH2+]C1 ZINC000062112876 177222969 /nfs/dbraw/zinc/22/29/69/177222969.db2.gz FSEFLLAKFPOVLP-KXUCPTDWSA-N 1 0 212.293 0.232 10 0 BCAERO C[C@@H]1CN(C(=O)[C@@H]2CC[C@@H]([NH3+])C2)C[C@H](C)O1 ZINC000133243184 177223068 /nfs/dbraw/zinc/22/30/68/177223068.db2.gz CAHOPMORROQYFW-LMLFDSFASA-N 1 0 226.320 0.750 10 0 BCAERO C[C@H]1CN(C(=O)[C@@H]2CCCO2)[C@@H](C)C[NH2+]1 ZINC000062570552 177223322 /nfs/dbraw/zinc/22/33/22/177223322.db2.gz YADYLRYPZVVJPG-GUBZILKMSA-N 1 0 212.293 0.374 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCS[C@@H](C)C1 ZINC000227426345 177223391 /nfs/dbraw/zinc/22/33/91/177223391.db2.gz POFKLBBFBPINTE-KXUCPTDWSA-N 1 0 228.361 0.806 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCO[C@@H](C)C1 ZINC000223883860 177223428 /nfs/dbraw/zinc/22/34/28/177223428.db2.gz XEGNMLVLSMWADW-KXUCPTDWSA-N 1 0 212.293 0.089 10 0 BCAERO C[C@H]1CN(C(=O)[C@](C)([NH3+])C2CC2)CCO1 ZINC000037478738 177225601 /nfs/dbraw/zinc/22/56/01/177225601.db2.gz HYMSCCRHLYEWGA-GZMMTYOYSA-N 1 0 212.293 0.361 10 0 BCAERO C[C@H]1CN(C(=O)c2cc[nH]c(=O)c2)C[C@H]1[NH+](C)C ZINC000230196406 177226451 /nfs/dbraw/zinc/22/64/51/177226451.db2.gz QVJVMDRRVQHNQY-GXSJLCMTSA-N 1 0 249.314 0.397 10 0 BCAERO C[C@H]1CN(C(=O)c2cccnc2)C[C@H]1[NH3+] ZINC000235668753 177228930 /nfs/dbraw/zinc/22/89/30/177228930.db2.gz OEUVPBGEDNIHJY-WCBMZHEXSA-N 1 0 205.261 0.501 10 0 BCAERO C[C@H]1CN(CC(=O)NCc2ccccc2)C[C@@H]1[NH3+] ZINC000235647316 177243940 /nfs/dbraw/zinc/24/39/40/177243940.db2.gz ZLXDSISXPUFIBP-AAEUAGOBSA-N 1 0 247.342 0.582 10 0 BCAERO C[C@H]1C[N@H+](CC2(O)CCC2)C[C@@H]1N(C)C ZINC000335529495 177245590 /nfs/dbraw/zinc/24/55/90/177245590.db2.gz MPRGFTPUMLMVLB-QWRGUYRKSA-N 1 0 212.337 0.783 10 0 BCAERO C[C@H]1CN(CCOC2CC[NH2+]CC2)C[C@H](C)O1 ZINC000090225733 177252962 /nfs/dbraw/zinc/25/29/62/177252962.db2.gz OEJUTPHECMERII-RYUDHWBXSA-N 1 0 242.363 0.864 10 0 BCAERO C[C@H]1CN(Cc2cc(C[NH3+])no2)C[C@H](C)O1 ZINC000052380605 177260840 /nfs/dbraw/zinc/26/08/40/177260840.db2.gz FSMGRSNOAIJHPW-IUCAKERBSA-N 1 0 225.292 0.743 10 0 BCAERO C[C@H]1CN(S(=O)(=O)c2ccccc2)C[C@@H]1[NH3+] ZINC000235680680 177272839 /nfs/dbraw/zinc/27/28/39/177272839.db2.gz YDAUZDCIBHNEBL-ONGXEEELSA-N 1 0 240.328 0.654 10 0 BCAERO C[C@@H]1[C@@H](C)CN1S(=O)(=O)CC[NH+]1CCCC1 ZINC000336300212 177273289 /nfs/dbraw/zinc/27/32/89/177273289.db2.gz AQEDHMWPHVEBDK-WDEREUQCSA-N 1 0 246.376 0.752 10 0 BCAERO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1Cc1ncnn1C ZINC000371867608 177280352 /nfs/dbraw/zinc/28/03/52/177280352.db2.gz GPHMIWYOYMNNMZ-RYUDHWBXSA-N 1 0 249.362 0.874 10 0 BCAERO C[C@H]1C[NH+]=C(NCCn2cccn2)S1 ZINC000042542190 177281805 /nfs/dbraw/zinc/28/18/05/177281805.db2.gz FSSBAKCQUGZFBL-QMMMGPOBSA-N 1 0 210.306 0.964 10 0 BCAERO C[C@H]1C[NH2+]CCN1C(=O)Cc1ccccn1 ZINC000054369709 177282488 /nfs/dbraw/zinc/28/24/88/177282488.db2.gz WUWJULRUJKFABH-JTQLQIEISA-N 1 0 219.288 0.444 10 0 BCAERO C[C@@H](C(=O)N1CCCC1)N1CC[NH2+]C[C@@H]1C ZINC000054374372 177284629 /nfs/dbraw/zinc/28/46/29/177284629.db2.gz GWASENBEYICTGV-QWRGUYRKSA-N 1 0 225.336 0.291 10 0 BCAERO C[C@H]1C[NH2+]C[C@@H]1C(=O)NC1(CO)CCCCC1 ZINC000104224107 177286020 /nfs/dbraw/zinc/28/60/20/177286020.db2.gz KQZNMHJSFCIIIL-QWRGUYRKSA-N 1 0 240.347 0.653 10 0 BCAERO C[C@H]1COCCN1C(=O)C[C@@H]1CCCC[NH2+]1 ZINC000035777676 177288936 /nfs/dbraw/zinc/28/89/36/177288936.db2.gz REYFGZANPZZRJM-QWRGUYRKSA-N 1 0 226.320 0.766 10 0 BCAERO C[C@H]1COCCN1Cc1nc(C(C)(C)[NH3+])no1 ZINC000043402064 177293668 /nfs/dbraw/zinc/29/36/68/177293668.db2.gz VNHSJKMPQHXCRH-QMMMGPOBSA-N 1 0 240.307 0.484 10 0 BCAERO C[C@@H]1CN(C(=O)N2CC[NH2+]CC2)[C@@H](C)CO1 ZINC000035783725 177301291 /nfs/dbraw/zinc/30/12/91/177301291.db2.gz LKGIJBICENMZQY-VHSXEESVSA-N 1 0 227.308 0.121 10 0 BCAERO C[C@H]1CSC(NCCn2ccnc2)=[NH+]1 ZINC000042542226 177303313 /nfs/dbraw/zinc/30/33/13/177303313.db2.gz DVESUHTWVCOCTO-QMMMGPOBSA-N 1 0 210.306 0.964 10 0 BCAERO C[C@@H](CN1CCOCC1)NC1=[NH+][C@@H](C)CS1 ZINC000049510403 177303420 /nfs/dbraw/zinc/30/34/20/177303420.db2.gz YVYKHBIOGRZWGL-UWVGGRQHSA-N 1 0 243.376 0.788 10 0 BCAERO C[C@H]1C[C@@H](C(=O)N(CCO)C2CC2)CC[NH2+]1 ZINC000235680872 177307839 /nfs/dbraw/zinc/30/78/39/177307839.db2.gz AGYKTSUXCBWKRX-UWVGGRQHSA-N 1 0 226.320 0.358 10 0 BCAERO C[C@H]1C[C@@H]([NH2+][C@@H]2CCC(=O)N(C)C2)CN1C ZINC000095422829 177333605 /nfs/dbraw/zinc/33/36/05/177333605.db2.gz FEPONRPRDXDPDF-HBNTYKKESA-N 1 0 225.336 0.289 10 0 BCAERO C[C@H]1C[C@@H]1NC(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000071221233 177349265 /nfs/dbraw/zinc/34/92/65/177349265.db2.gz IUPUIKBTYULTDF-WPRPVWTQSA-N 1 0 249.318 0.341 10 0 BCAERO C[C@H]1C[C@@H]1[NH2+]C1CCS(=O)(=O)CC1 ZINC000052273067 177349667 /nfs/dbraw/zinc/34/96/67/177349667.db2.gz GBWLRYZHKXXREN-CBAPKCEASA-N 1 0 203.307 0.562 10 0 BCAERO C[C@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2O)CN1C ZINC000089920306 177371167 /nfs/dbraw/zinc/37/11/67/177371167.db2.gz SWHWXBREZMEPNY-YFKTTZPYSA-N 1 0 212.337 0.972 10 0 BCAERO C[C@H]1C[C@H](O)C[N@H+](CCC(C)(C)O)C1 ZINC000307335836 177372791 /nfs/dbraw/zinc/37/27/91/177372791.db2.gz DVCFCDRZNIPDPB-UWVGGRQHSA-N 1 0 201.310 0.850 10 0 BCAERO C[C@H]1C[C@H]1[NH2+]C1CCS(=O)(=O)CC1 ZINC000052273071 177385761 /nfs/dbraw/zinc/38/57/61/177385761.db2.gz GBWLRYZHKXXREN-IONNQARKSA-N 1 0 203.307 0.562 10 0 BCAERO C[C@H]1C[C@H]2C[NH2+]C[C@@H]2N1C(=O)c1ncccc1O ZINC000037760307 177387432 /nfs/dbraw/zinc/38/74/32/177387432.db2.gz PNCHLPPCKXIOEA-GUBZILKMSA-N 1 0 247.298 0.610 10 0 BCAERO C[C@H]1NC(=O)CC[C@@H]1[NH2+]Cc1ccccn1 ZINC000335605226 177392988 /nfs/dbraw/zinc/39/29/88/177392988.db2.gz BYJLTBISYINHHC-KOLCDFICSA-N 1 0 219.288 0.838 10 0 BCAERO C[C@H]1NC(=O)CC[C@@H]1[NH2+]Cc1cncs1 ZINC000281511704 177393728 /nfs/dbraw/zinc/39/37/28/177393728.db2.gz ABGXXSXGZLOCFH-APPZFPTMSA-N 1 0 225.317 0.900 10 0 BCAERO C[C@H]1NC(=O)CC[C@H]1[NH2+]CCCn1ccnc1 ZINC000282522611 177394028 /nfs/dbraw/zinc/39/40/28/177394028.db2.gz YIQYPDKJLIPZJB-GHMZBOCLSA-N 1 0 236.319 0.530 10 0 BCAERO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)[C@H]1CCCO1 ZINC000129473920 177395013 /nfs/dbraw/zinc/39/50/13/177395013.db2.gz HFIBIUOBSHKXQE-KXUCPTDWSA-N 1 0 212.293 0.422 10 0 BCAERO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)c1cncn1C ZINC000235616181 177395243 /nfs/dbraw/zinc/39/52/43/177395243.db2.gz HYWMIDLKJORKPC-BDAKNGLRSA-N 1 0 222.292 0.290 10 0 BCAERO C[C@H]1[NH2+]CCC[C@H]1NC(=O)[C@@H]1CSC(=O)N1 ZINC000129456913 177395619 /nfs/dbraw/zinc/39/56/19/177395619.db2.gz JJYFLKAUZLSRLI-PRJMDXOYSA-N 1 0 243.332 0.068 10 0 BCAERO C[C@H]1[NH2+]CCC[C@H]1C(=O)NCc1ccno1 ZINC000335461818 177395915 /nfs/dbraw/zinc/39/59/15/177395915.db2.gz BSUNMWYGSLNEBT-PSASIEDQSA-N 1 0 223.276 0.679 10 0 BCAERO C[C@H]1[NH2+]CCC[C@H]1Nc1ccnc(C(N)=O)c1 ZINC000229599508 177396685 /nfs/dbraw/zinc/39/66/85/177396685.db2.gz AQRBGKKWKGCXBO-PSASIEDQSA-N 1 0 234.303 0.733 10 0 BCAERO C[C@]1(C(=O)N2[C@@H]3CC[C@H]2CC(O)C3)CC[NH2+]C1 ZINC000104258797 177454282 /nfs/dbraw/zinc/45/42/82/177454282.db2.gz HRTIXAHUCSEHBY-LMSJBEHQSA-N 1 0 238.331 0.500 10 0 BCAERO C[C@]1(NC(=O)[C@@H]2CCC[C@H]([NH3+])C2)CCOC1 ZINC000122600695 177468236 /nfs/dbraw/zinc/46/82/36/177468236.db2.gz XZBJLGIBISHMGG-SCVCMEIPSA-N 1 0 226.320 0.799 10 0 BCAERO C[C@]1(NC(=O)[C@H]2CC[C@@H]([NH3+])C2)CCOC1 ZINC000229464172 177468755 /nfs/dbraw/zinc/46/87/55/177468755.db2.gz KLCWIZQHFYQIPG-NGZCFLSTSA-N 1 0 212.293 0.409 10 0 BCAERO Cc1[nH]nc(C(=O)N2C[C@H]([NH3+])[C@@H](C)C2)c1C ZINC000335381279 177535593 /nfs/dbraw/zinc/53/55/93/177535593.db2.gz PTFDRIQAZBTSMY-RCOVLWMOSA-N 1 0 222.292 0.446 10 0 BCAERO CCc1nsc(N2CCCO[C@@H](C[NH3+])C2)n1 ZINC000313352402 487640561 /nfs/dbraw/zinc/64/05/61/487640561.db2.gz YDRYVRKHJDQEOP-QMMMGPOBSA-N 1 0 242.348 0.655 10 0 BCAERO CC(C)[C@H]([NH3+])Cc1nc(-c2ncc[nH]2)no1 ZINC000087344456 487643176 /nfs/dbraw/zinc/64/31/76/487643176.db2.gz WIGYKTWJDNAENY-SSDOTTSWSA-N 1 0 221.264 0.986 10 0 BCAERO Cc1nnc2c(NCC[NH2+]C3CC3)nccn12 ZINC000079471180 487648346 /nfs/dbraw/zinc/64/83/46/487648346.db2.gz FEDNAOCMUXFWSV-UHFFFAOYSA-N 1 0 232.291 0.597 10 0 BCAERO Cc1cnn(CCN[C@H](C)[C@@H]2CCC[NH2+]2)c1 ZINC000400483595 226344672 /nfs/dbraw/zinc/34/46/72/226344672.db2.gz CRGBVLARAHNMJU-NEPJUHHUSA-N 1 0 222.336 0.922 10 0 BCAERO CC(C)OC[C@@H](O)CN1CC[C@@H]([NH+](C)C)C1 ZINC000226128009 487658910 /nfs/dbraw/zinc/65/89/10/487658910.db2.gz CQVPONYFYRAAES-NEPJUHHUSA-N 1 0 230.352 0.408 10 0 BCAERO C[C@@H]1CO[C@H](CO)C[N@@H+]1C[C@H]1CCC[C@@H](O)C1 ZINC000383668500 487660687 /nfs/dbraw/zinc/66/06/87/487660687.db2.gz LEKJORWGTOEPOM-XQHKEYJVSA-N 1 0 243.347 0.619 10 0 BCAERO CC(C)CC(=O)N[C@@]1(CO)CCC[NH2+]C1 ZINC000669384960 583950661 /nfs/dbraw/zinc/95/06/61/583950661.db2.gz PTKQPCWEAPXDRA-NSHDSACASA-N 1 0 214.309 0.263 10 0 BCAERO CCOCCN(CC)C(=O)[C@@H](C)[NH2+]C ZINC000082538338 487669467 /nfs/dbraw/zinc/66/94/67/487669467.db2.gz CBHIBOVORMEIHN-SECBINFHSA-N 1 0 202.298 0.479 10 0 BCAERO C[C@H]1CN(CCCc2cncn2C)C[C@@H]1[NH3+] ZINC000314925465 487670316 /nfs/dbraw/zinc/67/03/16/487670316.db2.gz QBBBQMYRKUNPEO-JQWIXIFHSA-N 1 0 222.336 0.632 10 0 BCAERO C[C@@H]1C[C@H]1NC(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000087638922 487672867 /nfs/dbraw/zinc/67/28/67/487672867.db2.gz IWDNPWCCYRWDLA-NXEZZACHSA-N 1 0 225.336 0.195 10 0 BCAERO C[C@H](NC[C@@H]1CCC[NH2+]C1)C(=O)N(C)C ZINC000087646463 487673560 /nfs/dbraw/zinc/67/35/60/487673560.db2.gz SCWCCVPBCIOIAX-VHSXEESVSA-N 1 0 213.325 0.052 10 0 BCAERO O=C(C[C@H]1CCCO1)NC[C@@H]1CC[NH2+]C1 ZINC000087654783 487675359 /nfs/dbraw/zinc/67/53/59/487675359.db2.gz JJOALSAHIMRAFD-NXEZZACHSA-N 1 0 212.293 0.281 10 0 BCAERO CCn1nc(C)cc1C(=O)N1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000234201611 487682332 /nfs/dbraw/zinc/68/23/32/487682332.db2.gz MVSYVQCRJUZVEO-SCZZXKLOSA-N 1 0 236.319 0.631 10 0 BCAERO C[NH2+][C@H](C)C(=O)NCc1csc(C)n1 ZINC000054076503 487683256 /nfs/dbraw/zinc/68/32/56/487683256.db2.gz DSCMYLLUZCOYBW-ZCFIWIBFSA-N 1 0 213.306 0.676 10 0 BCAERO C[C@H](NC(=O)[C@]1(C[NH3+])CCCOC1)C1CC1 ZINC000637892394 487683372 /nfs/dbraw/zinc/68/33/72/487683372.db2.gz JAORXCLPUJMEBI-CABZTGNLSA-N 1 0 226.320 0.657 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N1CCC2(CCC2)CC1 ZINC000308704139 487684231 /nfs/dbraw/zinc/68/42/31/487684231.db2.gz XHVHOBYMPQKXJC-SNVBAGLBSA-N 1 0 226.320 0.753 10 0 BCAERO O=C(C[C@@H]1CCC[NH2+]C1)N[C@@H]1CCOC1 ZINC000087784997 487685637 /nfs/dbraw/zinc/68/56/37/487685637.db2.gz IMNJSBIITJTYHC-VHSXEESVSA-N 1 0 212.293 0.281 10 0 BCAERO CCN(CC[NH3+])c1ncnc2c1cnn2C ZINC000082591989 487686469 /nfs/dbraw/zinc/68/64/69/487686469.db2.gz UBYVGEWUMLNOJD-UHFFFAOYSA-N 1 0 220.280 0.148 10 0 BCAERO CCN(CC(=O)N(C)C)C(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000097093213 487688109 /nfs/dbraw/zinc/68/81/09/487688109.db2.gz GVWNLEPGJSISJU-UWVGGRQHSA-N 1 0 241.335 0.051 10 0 BCAERO COC[C@@H]([NH3+])C(=O)NCc1csc(C)n1 ZINC000088003693 487698003 /nfs/dbraw/zinc/69/80/03/487698003.db2.gz MAHSPOPSLWUDJP-MRVPVSSYSA-N 1 0 229.305 0.041 10 0 BCAERO CC[C@H](C)N(CC)C(=O)[C@@H]([NH3+])COC ZINC000088002676 487698087 /nfs/dbraw/zinc/69/80/87/487698087.db2.gz LVYGBHPNYZUOPG-IUCAKERBSA-N 1 0 202.298 0.607 10 0 BCAERO COC[C@H]([NH3+])C(=O)NCCc1nc(C)cs1 ZINC000088004272 487697861 /nfs/dbraw/zinc/69/78/61/487697861.db2.gz OZSZALDPCKRXHN-QMMMGPOBSA-N 1 0 243.332 0.084 10 0 BCAERO CNC(=O)CC[N@@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000398732312 262768188 /nfs/dbraw/zinc/76/81/88/262768188.db2.gz LSUOXAZFPFKZIS-DCAQKATOSA-N 1 0 226.320 0.215 10 0 BCAERO CC1(C)CC(C[N@@H+]2C[C@@H](O)C[C@@H]2CO)C1 ZINC000528431930 262947304 /nfs/dbraw/zinc/94/73/04/262947304.db2.gz XQKFMVDYBSNTFT-MNOVXSKESA-N 1 0 213.321 0.850 10 0 BCAERO COCCN(C)C(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000084309996 487705013 /nfs/dbraw/zinc/70/50/13/487705013.db2.gz YRFVHIDWVDYUTM-VHSXEESVSA-N 1 0 214.309 0.466 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)N[C@@H]2CCC[NH2+][C@@H]2C)O1 ZINC000088140834 487705285 /nfs/dbraw/zinc/70/52/85/487705285.db2.gz KTJKIYLPTPVARG-GWOFURMSSA-N 1 0 226.320 0.811 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)NC[C@@H]2CC[NH2+]C2)O1 ZINC000088142242 487705904 /nfs/dbraw/zinc/70/59/04/487705904.db2.gz MBRBOBDBHSTCHR-OPRDCNLKSA-N 1 0 212.293 0.280 10 0 BCAERO CN(C)[C@H]1CCC[N@@H+]([C@@H]2CCC[C@H]2O)C1 ZINC000226288013 487707135 /nfs/dbraw/zinc/70/71/35/487707135.db2.gz DZKUOGHKDWECPY-QJPTWQEYSA-N 1 0 212.337 0.926 10 0 BCAERO C[C@@H]1C[N@H+]([C@@H]2CCC[C@H]2O)C[C@H](C)N1C ZINC000226291811 487708788 /nfs/dbraw/zinc/70/87/88/487708788.db2.gz IHCGLSXGZZSXOR-WRWGMCAJSA-N 1 0 212.337 0.924 10 0 BCAERO CCC[C@H]1C[C@@H]1NC(=O)c1cn(CC[NH3+])nn1 ZINC000233397464 487713328 /nfs/dbraw/zinc/71/33/28/487713328.db2.gz QIXZYUYVPNVVQZ-IUCAKERBSA-N 1 0 237.307 0.155 10 0 BCAERO CC[C@@H]1C[C@H]1NC(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000226350487 487716637 /nfs/dbraw/zinc/71/66/37/487716637.db2.gz IEQBTFJVYNFVEE-GHMZBOCLSA-N 1 0 239.363 0.585 10 0 BCAERO CCc1ncnc(N(CC)CC[NH3+])c1F ZINC000233458781 487717846 /nfs/dbraw/zinc/71/78/46/487717846.db2.gz QTVWYLJZYFGUHV-UHFFFAOYSA-N 1 0 212.272 0.963 10 0 BCAERO C[C@H]1[NH2+]CCC[C@@H]1C(=O)NCCCCO ZINC000384556606 487726202 /nfs/dbraw/zinc/72/62/02/487726202.db2.gz OIBOVZRRSHVLCA-ZJUUUORDSA-N 1 0 214.309 0.263 10 0 BCAERO C[C@H](NC(=O)CC(C)(C)[NH3+])[C@H]1CCCO1 ZINC000082771831 487729988 /nfs/dbraw/zinc/72/99/88/487729988.db2.gz LZGZEMABSWBUDI-DTWKUNHWSA-N 1 0 214.309 0.798 10 0 BCAERO CC(C)([NH3+])CC(=O)N[C@@H]1CCCOC1 ZINC000082772628 487730531 /nfs/dbraw/zinc/73/05/31/487730531.db2.gz QFHCXSKWXHBOIP-MRVPVSSYSA-N 1 0 200.282 0.409 10 0 BCAERO CN(C[C@H]1CCCO1)C[C@H]1C[NH2+]CCO1 ZINC000250490656 487732870 /nfs/dbraw/zinc/73/28/70/487732870.db2.gz XZLKAQQXDAOYEH-GHMZBOCLSA-N 1 0 214.309 0.086 10 0 BCAERO CC(C)COC[C@H](O)C[NH2+][C@H]1CCCC[C@H]1O ZINC000250553723 487735513 /nfs/dbraw/zinc/73/55/13/487735513.db2.gz AROWAOCBPWEWAE-FRRDWIJNSA-N 1 0 245.363 0.913 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)N[C@@H](CO)C1CCC1 ZINC000662849472 487736642 /nfs/dbraw/zinc/73/66/42/487736642.db2.gz MODGVPDNBVIYEQ-TUAOUCFPSA-N 1 0 240.347 0.639 10 0 BCAERO CC(C)OC[C@H](O)C[NH2+]C[C@H]1CCCC[C@H]1O ZINC000250595666 487736722 /nfs/dbraw/zinc/73/67/22/487736722.db2.gz ZTOMJBCCDSUKOC-JHJVBQTASA-N 1 0 245.363 0.913 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H](O)C1 ZINC000250629187 487736967 /nfs/dbraw/zinc/73/69/67/487736967.db2.gz CKBOOEGYWGYHCY-YFKTTZPYSA-N 1 0 240.347 0.781 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)NC[C@H]1CCC[C@@H]1O ZINC000250632354 487737379 /nfs/dbraw/zinc/73/73/79/487737379.db2.gz DGWYXWOETFUXJC-USZNOCQGSA-N 1 0 240.347 0.639 10 0 BCAERO [NH3+][C@@H]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[C@H]1O ZINC000250668605 487738418 /nfs/dbraw/zinc/73/84/18/487738418.db2.gz SWJLYZWDUDUBLP-UKKRHICBSA-N 1 0 226.320 0.391 10 0 BCAERO CCCCOC[C@@H](O)C[N@H+](C)C[C@H](O)C1CC1 ZINC000683995356 487739157 /nfs/dbraw/zinc/73/91/57/487739157.db2.gz NVVNPDSPEAGORX-STQMWFEESA-N 1 0 245.363 0.867 10 0 BCAERO CCO[C@@H]1CCCN(C(=O)[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000233748008 487739523 /nfs/dbraw/zinc/73/95/23/487739523.db2.gz CZHGVRBHMPHOIO-IJLUTSLNSA-N 1 0 240.347 0.869 10 0 BCAERO [NH3+]C1CCN(C(=O)[C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000250859103 487742473 /nfs/dbraw/zinc/74/24/73/487742473.db2.gz PYRREOWWIUABRK-ILWJIGKKSA-N 1 0 208.305 0.982 10 0 BCAERO [NH3+][C@@H]1CC[C@H](C(=O)NCC[C@H]2CCCO2)C1 ZINC000251102349 487748518 /nfs/dbraw/zinc/74/85/18/487748518.db2.gz KBHGGZSHLGQMIO-HBNTYKKESA-N 1 0 226.320 0.799 10 0 BCAERO [NH3+][C@@H]1CCC[C@@H]1C(=O)NCC[C@@H]1CCCO1 ZINC000082921113 487753319 /nfs/dbraw/zinc/75/33/19/487753319.db2.gz SUAWEQQNRRRJML-GARJFASQSA-N 1 0 226.320 0.799 10 0 BCAERO [NH3+][C@@H]1CCC[C@@H]1C(=O)N[C@@H]1CCCOC1 ZINC000082921860 487754273 /nfs/dbraw/zinc/75/42/73/487754273.db2.gz ZCWVEVFKGKCEPW-KXUCPTDWSA-N 1 0 212.293 0.409 10 0 BCAERO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)Cc1ccncc1 ZINC000089091172 487761071 /nfs/dbraw/zinc/76/10/71/487761071.db2.gz WMGBKQHQXVIJPW-NEPJUHHUSA-N 1 0 233.315 0.868 10 0 BCAERO [NH3+]C[C@@H](NC(=O)[C@@H]1C[C@H]2C[C@H]2C1)C1CC1 ZINC000251526485 487765793 /nfs/dbraw/zinc/76/57/93/487765793.db2.gz XGAWSYULADJUIO-LMLFDSFASA-N 1 0 208.305 0.886 10 0 BCAERO CCc1nn(C)cc1C(=O)NC[C@@H](C)[NH2+]C ZINC000234161828 487766332 /nfs/dbraw/zinc/76/63/32/487766332.db2.gz WTXYALBJMDEWLJ-MRVPVSSYSA-N 1 0 224.308 0.320 10 0 BCAERO O[C@H](C[NH2+][C@H]1CCCC[C@H]1O)C(F)(F)F ZINC000251541829 487767422 /nfs/dbraw/zinc/76/74/22/487767422.db2.gz YISJVFXOXOPWRY-XLPZGREQSA-N 1 0 227.226 0.803 10 0 BCAERO CCc1nsc(NC[C@@H]2COCC[NH2+]2)n1 ZINC000234170576 487768253 /nfs/dbraw/zinc/76/82/53/487768253.db2.gz HBYRMYPRYZTYEZ-SSDOTTSWSA-N 1 0 228.321 0.501 10 0 BCAERO CC[C@@H]([NH3+])C(=O)NC[C@@H]1CCCC[C@@H]1O ZINC000082995199 487769186 /nfs/dbraw/zinc/76/91/86/487769186.db2.gz RSVMWWOKRSNQSY-AEJSXWLSSA-N 1 0 214.309 0.391 10 0 BCAERO CC(C)[C@H]([NH3+])C(=O)NC[C@@H]1CCCC[C@@H]1O ZINC000082994860 487769197 /nfs/dbraw/zinc/76/91/97/487769197.db2.gz ZKNKRTSVGSPHKM-DCAQKATOSA-N 1 0 228.336 0.637 10 0 BCAERO C[C@H](O)CC[NH2+]C[C@H](O)C(F)(F)F ZINC000082996434 487769234 /nfs/dbraw/zinc/76/92/34/487769234.db2.gz FVRLEGUQCBVTSD-WDSKDSINSA-N 1 0 201.188 0.270 10 0 BCAERO CC(C)[NH2+]CC(=O)NC[C@H]1CCCC[C@H]1O ZINC000082995167 487769451 /nfs/dbraw/zinc/76/94/51/487769451.db2.gz NIKHPVTULINAGN-GHMZBOCLSA-N 1 0 228.336 0.652 10 0 BCAERO C[C@@H](O)CCNC(=O)[C@@]1(C)CCC[NH2+]1 ZINC000082996384 487769568 /nfs/dbraw/zinc/76/95/68/487769568.db2.gz OPUMSCSDYXXUBG-PSASIEDQSA-N 1 0 200.282 0.016 10 0 BCAERO CC(C)OC[C@H](O)C[NH2+]CC[C@H](C)O ZINC000082997184 487770178 /nfs/dbraw/zinc/77/01/78/487770178.db2.gz UFULUKRXZVOHEH-VHSXEESVSA-N 1 0 205.298 0.133 10 0 BCAERO CCCC[C@H]([NH3+])CS(=O)(=O)N1CCCC1 ZINC000757147651 585329287 /nfs/dbraw/zinc/32/92/87/585329287.db2.gz CWPSWRQBHGFWSG-JTQLQIEISA-N 1 0 234.365 0.930 10 0 BCAERO O=C(NC[C@@H]1CCCC[C@@H]1O)[C@H]1CCCC[NH2+]1 ZINC000157121700 487781768 /nfs/dbraw/zinc/78/17/68/487781768.db2.gz ONCIPPJFPLZSKW-TUAOUCFPSA-N 1 0 240.347 0.796 10 0 BCAERO CN(C(=O)[C@H]1[C@@H]2COC[C@@H]21)[C@H]1CCC[NH2+]CC1 ZINC000385704837 487796299 /nfs/dbraw/zinc/79/62/99/487796299.db2.gz UPDNKHQAQPRTEI-NNYUYHANSA-N 1 0 238.331 0.479 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@@H]1CCC[C@@H](O)C1 ZINC000223891239 487799651 /nfs/dbraw/zinc/79/96/51/487799651.db2.gz JUWMLUMJPYIWBP-GWOFURMSSA-N 1 0 226.320 0.262 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)NC[C@H]2CCCC[NH2+]2)O1 ZINC000251969250 487808954 /nfs/dbraw/zinc/80/89/54/487808954.db2.gz YAWRNCGWJMOXDL-GMTAPVOTSA-N 1 0 226.320 0.812 10 0 BCAERO CN(C(=O)[C@@H]1CCC[C@@H]1C[NH3+])C1CCOCC1 ZINC000089451152 487816207 /nfs/dbraw/zinc/81/62/07/487816207.db2.gz RKAPRFOCIQNOEA-ZYHUDNBSSA-N 1 0 240.347 0.999 10 0 BCAERO Cc1nccc(CNC(=O)[C@H]2CCC[C@@H]2C[NH3+])n1 ZINC000089458173 487819840 /nfs/dbraw/zinc/81/98/40/487819840.db2.gz FLUXBWAMZHBKBJ-PWSUYJOCSA-N 1 0 248.330 0.776 10 0 BCAERO Cn1ccnc1CNC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089462353 487822536 /nfs/dbraw/zinc/82/25/36/487822536.db2.gz VVBZLBZCMRHWTB-ZJUUUORDSA-N 1 0 236.319 0.411 10 0 BCAERO CN(Cc1cn[nH]c1)C(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000089462848 487823189 /nfs/dbraw/zinc/82/31/89/487823189.db2.gz ILOMGWYRRBGVTR-QWRGUYRKSA-N 1 0 236.319 0.743 10 0 BCAERO CN(Cc1cn[nH]c1)C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089462843 487823276 /nfs/dbraw/zinc/82/32/76/487823276.db2.gz ILOMGWYRRBGVTR-GHMZBOCLSA-N 1 0 236.319 0.743 10 0 BCAERO C[NH2+][C@@H](C)CNC(=O)CCc1ccco1 ZINC000234417883 487823915 /nfs/dbraw/zinc/82/39/15/487823915.db2.gz NYCYVCCYNYWCOM-VIFPVBQESA-N 1 0 210.277 0.936 10 0 BCAERO CCNC(=O)C(C)(C)[NH2+]C[C@@H](O)C(C)(C)C ZINC000313049738 322945041 /nfs/dbraw/zinc/94/50/41/322945041.db2.gz SHSGNZRYTBISOJ-SECBINFHSA-N 1 0 230.352 0.898 10 0 BCAERO C[C@H](NC(=O)[C@@H]1CC[NH2+][C@@H]1C)[C@H]1CCCO1 ZINC000252588429 487827263 /nfs/dbraw/zinc/82/72/63/487827263.db2.gz AZGAGUAJPHZBOT-LMLFDSFASA-N 1 0 226.320 0.668 10 0 BCAERO C[C@@H]1[NH2+]CC[C@H]1C(=O)N(C)C[C@H]1CCCO1 ZINC000252606001 487827831 /nfs/dbraw/zinc/82/78/31/487827831.db2.gz QEAAKZSDGQWSAC-HBNTYKKESA-N 1 0 226.320 0.622 10 0 BCAERO [NH3+][C@@H](CS(=O)(=O)N1CCCCC1)C1CC1 ZINC000757150889 586429051 /nfs/dbraw/zinc/42/90/51/586429051.db2.gz JMTQVJVCNUUIQJ-JTQLQIEISA-N 1 0 232.349 0.539 10 0 BCAERO CC1(C)CC(NC(=O)[C@H]2C[C@@H](O)C[NH2+]2)C1 ZINC000395281719 487848854 /nfs/dbraw/zinc/84/88/54/487848854.db2.gz CUPRWMAAPXOBRO-RKDXNWHRSA-N 1 0 212.293 0.014 10 0 BCAERO CO[C@@H]1C[N@H+](C[C@@H]2CCC[C@@H](O)C2)C[C@H]1O ZINC000395332392 487852892 /nfs/dbraw/zinc/85/28/92/487852892.db2.gz RWRPWURYIBEUMQ-DDHJBXDOSA-N 1 0 229.320 0.229 10 0 BCAERO NC(=O)[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCCC[C@H]1O ZINC000253158457 487856160 /nfs/dbraw/zinc/85/61/60/487856160.db2.gz FWZVQPAOUFEPSY-WRWGMCAJSA-N 1 0 240.347 0.924 10 0 BCAERO CO[C@H]1C[NH2+][C@@H](C(=O)N[C@@H](C)C(C)C)C1 ZINC000226687713 487857534 /nfs/dbraw/zinc/85/75/34/487857534.db2.gz BILRZSBHABDTOJ-IVZWLZJFSA-N 1 0 214.309 0.524 10 0 BCAERO C[C@H](NC(=O)[C@H]1CCC[C@@H]1C[NH3+])c1cn[nH]c1 ZINC000226697063 487868876 /nfs/dbraw/zinc/86/88/76/487868876.db2.gz IKEWCOWVLGIMOZ-NGZCFLSTSA-N 1 0 236.319 0.962 10 0 BCAERO COCCCCNC(=O)C[C@H]([NH3+])C(C)C ZINC000129016771 487874985 /nfs/dbraw/zinc/87/49/85/487874985.db2.gz NXWABQGRVAAHIB-JTQLQIEISA-N 1 0 216.325 0.903 10 0 BCAERO CO[C@H]1CCN(C(=O)C[C@H]([NH3+])C(C)C)C1 ZINC000234782639 487877917 /nfs/dbraw/zinc/87/79/17/487877917.db2.gz LUTVSJQHFDLLFV-UWVGGRQHSA-N 1 0 214.309 0.607 10 0 BCAERO CO[C@H]1CCN(C(=O)C[C@@H]([NH3+])C(C)C)C1 ZINC000234782353 487877943 /nfs/dbraw/zinc/87/79/43/487877943.db2.gz LUTVSJQHFDLLFV-VHSXEESVSA-N 1 0 214.309 0.607 10 0 BCAERO Cc1cc2c(N(C)CCC[NH3+])nccn2n1 ZINC000156920571 487880290 /nfs/dbraw/zinc/88/02/90/487880290.db2.gz LENLZJLBQYJXSV-UHFFFAOYSA-N 1 0 219.292 0.823 10 0 BCAERO CO[C@@H]1CCCN(C(=O)[C@H]2CCC[C@@H]2C[NH3+])C1 ZINC000227423333 487881412 /nfs/dbraw/zinc/88/14/12/487881412.db2.gz AAKNQYOPTJBBIA-UTUOFQBUSA-N 1 0 240.347 0.999 10 0 BCAERO CC[C@H]([NH3+])C(=O)N[C@@H](C)c1ncc(C)o1 ZINC000226707274 487883955 /nfs/dbraw/zinc/88/39/55/487883955.db2.gz QUIHSDWMHHJSLT-YUMQZZPRSA-N 1 0 211.265 0.898 10 0 BCAERO Cc1cnc([C@@H](C)NC(=O)[C@H]2CCC[NH2+]2)o1 ZINC000226707329 487884124 /nfs/dbraw/zinc/88/41/24/487884124.db2.gz ZMUBZLZLCVVGDW-RKDXNWHRSA-N 1 0 223.276 0.912 10 0 BCAERO CCON1CCC([NH2+][C@@H](C)[C@H](C)O)CC1 ZINC000323387941 644524452 /nfs/dbraw/zinc/52/44/52/644524452.db2.gz QWZRDCTXRCUNKJ-UWVGGRQHSA-N 1 0 216.325 0.761 10 0 BCAERO COCCOC[C@H](O)C[NH2+][C@H](C)C(C)C ZINC000234909469 487891771 /nfs/dbraw/zinc/89/17/71/487891771.db2.gz GLKULFWLOOQDAE-GHMZBOCLSA-N 1 0 219.325 0.644 10 0 BCAERO Cc1ccnc(N2CC[C@H]3OCC[NH2+][C@@H]3C2)n1 ZINC000403977870 487904411 /nfs/dbraw/zinc/90/44/11/487904411.db2.gz ADVGHIQLFWRNHJ-GHMZBOCLSA-N 1 0 234.303 0.352 10 0 BCAERO CCc1cc(C(=O)N2CCC[C@H]([NH3+])C2)n(C)n1 ZINC000090127181 487905769 /nfs/dbraw/zinc/90/57/69/487905769.db2.gz PRPQDSBRUVAYTI-VIFPVBQESA-N 1 0 236.319 0.546 10 0 BCAERO CCC[C@@H](C)NC(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O ZINC000668541708 487912792 /nfs/dbraw/zinc/91/27/92/487912792.db2.gz UXPOAKHDOUWSDL-UTLUCORTSA-N 1 0 229.324 0.149 10 0 BCAERO CN(C)S(=O)(=O)[C@@H]1C[NH2+]C[C@@H]1C(F)(F)F ZINC000396538646 487912906 /nfs/dbraw/zinc/91/29/06/487912906.db2.gz YYUGNJGRBQFONV-NTSWFWBYSA-N 1 0 246.254 0.028 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)N[C@]1(C)CCOC1 ZINC000229462412 487915990 /nfs/dbraw/zinc/91/59/90/487915990.db2.gz XPDYLNPMTKFVRB-MWLCHTKSSA-N 1 0 214.309 0.655 10 0 BCAERO CCc1nsc(N2CCO[C@@H](C[NH3+])C2)n1 ZINC000083651183 487925593 /nfs/dbraw/zinc/92/55/93/487925593.db2.gz GQSNLJDWZKSDAW-ZETCQYMHSA-N 1 0 228.321 0.264 10 0 BCAERO Cc1cc(C(=O)N2CC[C@@H]([NH3+])[C@H]2C)nn1C ZINC000380668055 487928303 /nfs/dbraw/zinc/92/83/03/487928303.db2.gz AEOFCDFXWQLXPQ-RKDXNWHRSA-N 1 0 222.292 0.290 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)NCCc1ncc[nH]1 ZINC000157933802 487930275 /nfs/dbraw/zinc/93/02/75/487930275.db2.gz TVAPQMIQMAWTTD-UWVGGRQHSA-N 1 0 236.319 0.443 10 0 BCAERO C[C@@H]1[NH2+]CCC[C@H]1Nc1ncnc2nc[nH]c21 ZINC000229607300 487930405 /nfs/dbraw/zinc/93/04/05/487930405.db2.gz TYWMEZVVDLORLL-JGVFFNPUSA-N 1 0 232.291 0.905 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@H]1CCC[C@@H](O)C1 ZINC000235300835 487941152 /nfs/dbraw/zinc/94/11/52/487941152.db2.gz JUWMLUMJPYIWBP-LMLFDSFASA-N 1 0 226.320 0.262 10 0 BCAERO Cc1cccc([C@@H](C)[NH2+]CC(=O)NC(N)=O)c1 ZINC000160225181 323064278 /nfs/dbraw/zinc/06/42/78/323064278.db2.gz ZWQVIDSNMGZFDF-SECBINFHSA-N 1 0 235.287 0.841 10 0 BCAERO CC(C)(C(=O)N[C@H]1CC12CC2)N1CC[NH2+]CC1 ZINC000570681113 323066858 /nfs/dbraw/zinc/06/68/58/323066858.db2.gz BTVBOMIFQYMZBF-JTQLQIEISA-N 1 0 237.347 0.339 10 0 BCAERO O=C(c1cscn1)N1C[C@@H]2[NH2+]CCC[C@H]2C1 ZINC000221654870 323090797 /nfs/dbraw/zinc/09/07/97/323090797.db2.gz LLXRZZYLZILYPP-IUCAKERBSA-N 1 0 237.328 0.967 10 0 BCAERO COC[C@@H]([NH3+])C(=O)NCCC1(C)CC1 ZINC000563095085 323092108 /nfs/dbraw/zinc/09/21/08/323092108.db2.gz KDNUYHMCAOHQMQ-MRVPVSSYSA-N 1 0 200.282 0.267 10 0 BCAERO C(CN1CC[C@@H]2OCC[NH2+][C@@H]2C1)OCC1CC1 ZINC000563268932 323107224 /nfs/dbraw/zinc/10/72/24/323107224.db2.gz PIPCIIOMOCCPQE-OLZOCXBDSA-N 1 0 240.347 0.476 10 0 BCAERO CC1(S(=O)(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)CC1 ZINC000563621576 323132032 /nfs/dbraw/zinc/13/20/32/323132032.db2.gz ABFSKNJNOAADDC-IVZWLZJFSA-N 1 0 244.360 0.538 10 0 BCAERO CCCCOC[C@H](O)C[NH2+][C@@H](C)CC(=O)NC ZINC000322643228 323142561 /nfs/dbraw/zinc/14/25/61/323142561.db2.gz UXKSVTPKMQGKOS-WDEREUQCSA-N 1 0 246.351 0.278 10 0 BCAERO C[C@H](C[NH3+])Nc1cc(N2CCCC2)ncn1 ZINC000258660646 323146539 /nfs/dbraw/zinc/14/65/39/323146539.db2.gz NLYCVZMZANDFJP-SECBINFHSA-N 1 0 221.308 0.836 10 0 BCAERO CN(C(=O)[C@H]1CC[NH2+]C1)c1nccs1 ZINC000307109150 323174028 /nfs/dbraw/zinc/17/40/28/323174028.db2.gz KHIJCMOXBUIIEJ-ZETCQYMHSA-N 1 0 211.290 0.715 10 0 BCAERO C[C@@H](O)[C@@H]1CCC[N@H+](CC2(O)CCC2)C1 ZINC000535557926 323184435 /nfs/dbraw/zinc/18/44/35/323184435.db2.gz CKXGQNYZUIUUQY-GHMZBOCLSA-N 1 0 213.321 0.994 10 0 BCAERO OC[C@@H]1C[NH+](Cc2cccc(O)c2)C[C@H]1CO ZINC000529640400 323185817 /nfs/dbraw/zinc/18/58/17/323185817.db2.gz TWXURTMZBFZQED-RYUDHWBXSA-N 1 0 237.299 0.425 10 0 BCAERO CC[C@H](O)C[N@@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000398853544 323193890 /nfs/dbraw/zinc/19/38/90/323193890.db2.gz NKFJULOTTWGLHS-BJDJZHNGSA-N 1 0 213.321 0.850 10 0 BCAERO Cc1cnccc1CN1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC000530225643 323218844 /nfs/dbraw/zinc/21/88/44/323218844.db2.gz OVLSNHZILCWGHT-KGLIPLIRSA-N 1 0 247.342 0.953 10 0 BCAERO CCCCOC[C@H](O)C[NH2+]CCC(C)(C)O ZINC000309335156 323343924 /nfs/dbraw/zinc/34/39/24/323343924.db2.gz VCJVBQVPJANCLW-LLVKDONJSA-N 1 0 233.352 0.915 10 0 BCAERO CC(C)[C@H](C(=O)N[C@H]1CCCOC1)[C@H](C)[NH3+] ZINC000399502923 323395121 /nfs/dbraw/zinc/39/51/21/323395121.db2.gz JFWPIHLISSYIGX-DCAQKATOSA-N 1 0 228.336 0.901 10 0 BCAERO CN1CCC[C@H]([NH2+][C@@H]2CCCC[C@H]2O)C1=O ZINC000571776728 323479075 /nfs/dbraw/zinc/47/90/75/323479075.db2.gz KERGEXVUDIKXNG-OUAUKWLOSA-N 1 0 226.320 0.500 10 0 BCAERO CO[C@@H](C)CNC(=O)C1CCC([NH3+])CC1 ZINC000083887776 487958415 /nfs/dbraw/zinc/95/84/15/487958415.db2.gz FXHIMRCNAJMGNZ-IDKOKCKLSA-N 1 0 214.309 0.655 10 0 BCAERO COc1ccc2c(c1)C(=O)N(C)[C@@H]2C[NH3+] ZINC000536953367 323960597 /nfs/dbraw/zinc/96/05/97/323960597.db2.gz GTBQQNIVWPCTBL-SNVBAGLBSA-N 1 0 206.245 0.781 10 0 BCAERO CCn1cc([C@H]2[NH2+]C[C@]23CCOC3)cn1 ZINC000536957675 323968765 /nfs/dbraw/zinc/96/87/65/323968765.db2.gz CVIVEVZPEPSLBR-MNOVXSKESA-N 1 0 207.277 0.954 10 0 BCAERO COCCN1CC[C@H]([NH2+]CC2CC(O)C2)C1 ZINC000328268405 324367177 /nfs/dbraw/zinc/36/71/77/324367177.db2.gz OVKKFDQVDMBMHL-CXQJBGSLSA-N 1 0 228.336 0.068 10 0 BCAERO C[C@@H]([NH2+]CC1CC(O)C1)c1ccnn1C ZINC000235203539 325252756 /nfs/dbraw/zinc/25/27/56/325252756.db2.gz VCVSYGTTZGSVFN-XNWIYYODSA-N 1 0 209.293 0.842 10 0 BCAERO C[C@@H]1COC[C@H](C)N1CC(=O)N1CCCC1 ZINC000133174008 325275212 /nfs/dbraw/zinc/27/52/12/325275212.db2.gz BUOBRNCVSGYMIR-PHIMTYICSA-N 1 0 226.320 0.718 10 0 BCAERO CC(=O)NCCC[NH+]1[C@@H](C)COC[C@@H]1C ZINC000133184109 325275951 /nfs/dbraw/zinc/27/59/51/325275951.db2.gz PCKOQZXZLYKFIS-UWVGGRQHSA-N 1 0 214.309 0.622 10 0 BCAERO C[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCCO2)C1 ZINC000134602076 325366807 /nfs/dbraw/zinc/36/68/07/325366807.db2.gz UGNHZBQXZLBWGQ-UWVGGRQHSA-N 1 0 212.293 0.328 10 0 BCAERO C[C@H](O)CC[NH2+]Cc1ccnc(N(C)C)n1 ZINC000134795091 325376870 /nfs/dbraw/zinc/37/68/70/325376870.db2.gz IGPCDEANPLKHLQ-VIFPVBQESA-N 1 0 224.308 0.403 10 0 BCAERO C[C@@H]1COCC[C@H]1[NH2+]C[C@H]1CN(C)CCO1 ZINC000249240533 325641248 /nfs/dbraw/zinc/64/12/48/325641248.db2.gz CSXKIVLKHKCLIJ-GRYCIOLGSA-N 1 0 228.336 0.332 10 0 BCAERO CNC(=O)c1ccc(C[NH2+]CC2CC(O)C2)cc1 ZINC000091525190 325687364 /nfs/dbraw/zinc/68/73/64/325687364.db2.gz MJSSABFWFDSCGW-UHFFFAOYSA-N 1 0 248.326 0.907 10 0 BCAERO C[C@H]([NH3+])C[C@H](C)NC(=O)[C@@H]1CC[C@H](C)O1 ZINC000252755780 325695380 /nfs/dbraw/zinc/69/53/80/325695380.db2.gz JJRMJWIHGDLGBN-XKNYDFJKSA-N 1 0 214.309 0.796 10 0 BCAERO CO[C@H]1C[NH2+][C@@H](C(=O)NCCC2(C)CC2)C1 ZINC000564830871 325813782 /nfs/dbraw/zinc/81/37/82/325813782.db2.gz LCGZGEKQFGKMPN-NXEZZACHSA-N 1 0 226.320 0.670 10 0 BCAERO c1cncc(CN2CC[C@H]3OCC[NH2+][C@H]3C2)c1 ZINC000404077827 325908377 /nfs/dbraw/zinc/90/83/77/325908377.db2.gz GGTLWTQOQPKRQW-QWHCGFSZSA-N 1 0 233.315 0.644 10 0 BCAERO CC(C)C(=O)N1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC000404099905 325911884 /nfs/dbraw/zinc/91/18/84/325911884.db2.gz ZDSZDGMMWQVTPP-UWVGGRQHSA-N 1 0 212.293 0.232 10 0 BCAERO CN(CC(F)F)C(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000156897932 326247712 /nfs/dbraw/zinc/24/77/12/326247712.db2.gz CFBCYIAAIWRBNJ-UHFFFAOYSA-N 1 0 249.305 0.394 10 0 BCAERO [NH3+][C@@H]1CC[C@@H](C(=O)N2CC[C@@H]3OCC[C@@H]3C2)C1 ZINC000567927054 326284555 /nfs/dbraw/zinc/28/45/55/326284555.db2.gz TVQJPRCRMLMTSP-KKOKHZNYSA-N 1 0 238.331 0.751 10 0 BCAERO CCc1nnc(CN2C[C@@H](C[NH3+])C[C@H]2C)n1C ZINC000568512140 326361704 /nfs/dbraw/zinc/36/17/04/326361704.db2.gz ILLPYBDCXISVMJ-NXEZZACHSA-N 1 0 237.351 0.547 10 0 BCAERO CCC[C@@H](C(=O)N1CCN(C)C(=O)C1)[NH+](C)C ZINC000163630976 326404181 /nfs/dbraw/zinc/40/41/81/326404181.db2.gz WXNYBUGGNBYZQD-JTQLQIEISA-N 1 0 241.335 0.017 10 0 BCAERO CCC[C@H](C(=O)N1CCN(C)C(=O)C1)[NH+](C)C ZINC000163631102 326404259 /nfs/dbraw/zinc/40/42/59/326404259.db2.gz WXNYBUGGNBYZQD-SNVBAGLBSA-N 1 0 241.335 0.017 10 0 BCAERO C[C@@H]([NH3+])C[C@H](C)Nc1nccn(C)c1=O ZINC000165723282 326426027 /nfs/dbraw/zinc/42/60/27/326426027.db2.gz ISAOSWSKFNENMA-SFYZADRCSA-N 1 0 210.281 0.318 10 0 BCAERO CC[C@H]1CN(C(=O)[C@H]2CC[NH2+]C2)[C@@H](C)CO1 ZINC000653203580 487973843 /nfs/dbraw/zinc/97/38/43/487973843.db2.gz SHXIASIEYQBLNO-DCAQKATOSA-N 1 0 226.320 0.622 10 0 BCAERO COCC(C)(C)NC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000158778050 487975408 /nfs/dbraw/zinc/97/54/08/487975408.db2.gz WHQFCINFSYUBNW-VHSXEESVSA-N 1 0 228.336 0.903 10 0 BCAERO COCC(C)(C)NC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000158777776 487975177 /nfs/dbraw/zinc/97/51/77/487975177.db2.gz WHQFCINFSYUBNW-NXEZZACHSA-N 1 0 228.336 0.903 10 0 BCAERO C[C@H]1OCC[C@H]1NC(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000134257433 487975799 /nfs/dbraw/zinc/97/57/99/487975799.db2.gz UOCKZEWPFGYYAR-RAIGVLPGSA-N 1 0 248.326 0.850 10 0 BCAERO C[C@H]1OCC[C@@H]1NC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000134260156 487975865 /nfs/dbraw/zinc/97/58/65/487975865.db2.gz ZEWCCFSGNQFTSJ-IMSYWVGJSA-N 1 0 212.293 0.407 10 0 BCAERO CC(C)[C@H]([NH3+])C(=O)N[C@@H]1CCO[C@H]1C ZINC000134257103 487975910 /nfs/dbraw/zinc/97/59/10/487975910.db2.gz LQWMHXNXIKRBBP-YIZRAAEISA-N 1 0 200.282 0.263 10 0 BCAERO Cn1ncnc1C[NH2+]C[C@@H]1CCCC[C@@H]1O ZINC000083971199 487976464 /nfs/dbraw/zinc/97/64/64/487976464.db2.gz LZGCOKGTRWFWFK-UWVGGRQHSA-N 1 0 224.308 0.456 10 0 BCAERO CC[C@@H]1C[N@H+](C[C@@H]2CCCN2C)C[C@@H]1O ZINC000400027585 487983688 /nfs/dbraw/zinc/98/36/88/487983688.db2.gz GOPFHGLDTXAEEH-WOPDTQHZSA-N 1 0 212.337 0.783 10 0 BCAERO C[C@]1(C(=O)N[C@@H]2CCCOC2)CCC[NH2+]1 ZINC000070619383 487985161 /nfs/dbraw/zinc/98/51/61/487985161.db2.gz FQIKRMKLTXZLIF-MWLCHTKSSA-N 1 0 212.293 0.424 10 0 BCAERO CC1(NC(=O)[C@H]2CCC[NH2+]C2)CCOCC1 ZINC000229900719 487987943 /nfs/dbraw/zinc/98/79/43/487987943.db2.gz AMINBLGPCJPXNX-JTQLQIEISA-N 1 0 226.320 0.671 10 0 BCAERO C[C@H]1OCC[C@@H]1NC(=O)CC(C)(C)[NH3+] ZINC000134552681 487989620 /nfs/dbraw/zinc/98/96/20/487989620.db2.gz JDCPGLSOBJJMIW-SFYZADRCSA-N 1 0 200.282 0.407 10 0 BCAERO C[C@H]1OCC[C@H]1NC(=O)CCCC[NH3+] ZINC000134548813 487989657 /nfs/dbraw/zinc/98/96/57/487989657.db2.gz CDJJXBHPFCTVHA-RKDXNWHRSA-N 1 0 200.282 0.409 10 0 BCAERO O=C(NC[C@@H]1CCC[C@H]1O)[C@@H]1CCCC[NH2+]1 ZINC000154161003 487992744 /nfs/dbraw/zinc/99/27/44/487992744.db2.gz MYHIXKBVYYQCNO-GARJFASQSA-N 1 0 226.320 0.406 10 0 BCAERO CC(C)OCCNC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000159126352 487994546 /nfs/dbraw/zinc/99/45/46/487994546.db2.gz LJSGGCCFPWKBLY-UWVGGRQHSA-N 1 0 214.309 0.655 10 0 BCAERO COC[C@@H](C)[NH2+]Cc1cc(=O)c(OC)co1 ZINC000309633921 487996693 /nfs/dbraw/zinc/99/66/93/487996693.db2.gz ISKOJLSPJKQTSJ-MRVPVSSYSA-N 1 0 227.260 0.773 10 0 BCAERO CN(C(=O)Nc1ccccc1)[C@H]1C[NH2+]C[C@@H]1O ZINC000209450737 487999377 /nfs/dbraw/zinc/99/93/77/487999377.db2.gz ZTDAWRNPDPVRRL-QWRGUYRKSA-N 1 0 235.287 0.483 10 0 BCAERO COC[C@@H](C)[NH2+]Cc1cnc(OC)nc1C ZINC000309663609 487999781 /nfs/dbraw/zinc/99/97/81/487999781.db2.gz SIRVEAKVPLFHTM-MRVPVSSYSA-N 1 0 225.292 0.918 10 0 BCAERO CO[C@H](C)CNC(=O)C[C@H]([NH3+])C(C)C ZINC000223717350 488008127 /nfs/dbraw/zinc/00/81/27/488008127.db2.gz AIMSRDYIMMQGOF-BDAKNGLRSA-N 1 0 202.298 0.511 10 0 BCAERO CN1C[C@H](C[NH2+]C2CSC2)CC1=O ZINC000668616132 488009527 /nfs/dbraw/zinc/00/95/27/488009527.db2.gz GSRDYTFICZETDO-ZETCQYMHSA-N 1 0 200.307 0.170 10 0 BCAERO Nc1ccc(CN2CCC[C@H]2C[NH3+])cn1 ZINC000309644733 488010690 /nfs/dbraw/zinc/01/06/90/488010690.db2.gz VRPDKWGISWBYAI-JTQLQIEISA-N 1 0 206.293 0.587 10 0 BCAERO OC[C@H]1COCC[N@@H+]1CC[C@@H]1CCCO1 ZINC000159244556 488011671 /nfs/dbraw/zinc/01/16/71/488011671.db2.gz BTSCXOHWKGTYMW-QWRGUYRKSA-N 1 0 215.293 0.249 10 0 BCAERO CN1C[C@H](C[NH2+][C@H]2CO[C@H](C3CC3)C2)CC1=O ZINC000668617490 488014481 /nfs/dbraw/zinc/01/44/81/488014481.db2.gz YWSWWVRMDQXCFO-WCQGTBRESA-N 1 0 238.331 0.622 10 0 BCAERO C[C@H](CO)C[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000121059084 490074488 /nfs/dbraw/zinc/07/44/88/490074488.db2.gz NBRIJRNXPJHMCV-RYUDHWBXSA-N 1 0 228.336 0.021 10 0 BCAERO OC[C@H]1COCCN1CCC(F)(F)F ZINC000159283985 488020151 /nfs/dbraw/zinc/02/01/51/488020151.db2.gz POIKSXZPQBODAO-ZETCQYMHSA-N 1 0 213.199 0.632 10 0 BCAERO CC[N@@H+]1CC[C@@H](Nc2cc(C#N)cnn2)C1 ZINC000396967897 488024222 /nfs/dbraw/zinc/02/42/22/488024222.db2.gz XYYLHRFBVIYQSL-SNVBAGLBSA-N 1 0 217.276 0.854 10 0 BCAERO CCc1nn(C)cc1C(=O)NC[C@@H]1CC[NH2+]C1 ZINC000227556207 488027715 /nfs/dbraw/zinc/02/77/15/488027715.db2.gz UCKLYHNNCMOWRT-SECBINFHSA-N 1 0 236.319 0.322 10 0 BCAERO Cc1cccc(NC[C@H]2COCC[NH2+]2)n1 ZINC000235897880 488028171 /nfs/dbraw/zinc/02/81/71/488028171.db2.gz GWXJDABZTUVKBJ-JTQLQIEISA-N 1 0 207.277 0.790 10 0 BCAERO CC(=O)NC1CC[NH+](CC2(O)CCC2)CC1 ZINC000675123561 488028743 /nfs/dbraw/zinc/02/87/43/488028743.db2.gz ADXMQQZIFOZHGC-UHFFFAOYSA-N 1 0 226.320 0.502 10 0 BCAERO CC(C)n1ccnc1C[NH2+][C@H]1CCOC[C@@H]1O ZINC000623767587 488030674 /nfs/dbraw/zinc/03/06/74/488030674.db2.gz YGGFXTQPHQLABD-QWRGUYRKSA-N 1 0 239.319 0.703 10 0 BCAERO O=C1CC[C@@H](C[N@H+]2CCC[C@@H]2CCCO)N1 ZINC000227565502 488032223 /nfs/dbraw/zinc/03/22/23/488032223.db2.gz CBZFRBXMGNQTQG-WDEREUQCSA-N 1 0 226.320 0.502 10 0 BCAERO OC[C@@H]1CSCC[N@@H+]1C[C@H]1CCC[C@@H](O)C1 ZINC000388201173 488034203 /nfs/dbraw/zinc/03/42/03/488034203.db2.gz SUHLVSAVKGBDCQ-QJPTWQEYSA-N 1 0 245.388 0.947 10 0 BCAERO CC(C)[C@H](C)[N@@H+]1CCC[C@](O)(C(N)=O)C1 ZINC000318959130 488036907 /nfs/dbraw/zinc/03/69/07/488036907.db2.gz FAXGMGRRCGJYKB-GXSJLCMTSA-N 1 0 214.309 0.343 10 0 BCAERO COCc1noc(CC[C@H]2CCC[NH2+]2)n1 ZINC000075088974 488039171 /nfs/dbraw/zinc/03/91/71/488039171.db2.gz OUPOQDJVBKFXOY-MRVPVSSYSA-N 1 0 211.265 0.901 10 0 BCAERO [NH3+]CCCCC(=O)NC[C@H]1CCC[C@H]1O ZINC000084238693 488039837 /nfs/dbraw/zinc/03/98/37/488039837.db2.gz PJZYWFLIIKMZDA-NXEZZACHSA-N 1 0 214.309 0.393 10 0 BCAERO CC(C)[NH2+]CCC(=O)NC[C@@H]1CCC[C@@H]1O ZINC000084238747 488039580 /nfs/dbraw/zinc/03/95/80/488039580.db2.gz VESUGTGRNYUFML-QWRGUYRKSA-N 1 0 228.336 0.652 10 0 BCAERO CCN1CCO[C@H](C[NH2+][C@@H]2COC(C)(C)C2)C1 ZINC000396864168 488041766 /nfs/dbraw/zinc/04/17/66/488041766.db2.gz SRGOOSJVQQVHBH-NWDGAFQWSA-N 1 0 242.363 0.864 10 0 BCAERO Cn1ccc(NC(=O)[C@H]2CCC[C@H]2C[NH3+])n1 ZINC000084309735 488043929 /nfs/dbraw/zinc/04/39/29/488043929.db2.gz CQKJNHRPIUCFJV-IUCAKERBSA-N 1 0 222.292 0.734 10 0 BCAERO Cn1cc(NC(=O)[C@@H]2CCC[C@H]2C[NH3+])cn1 ZINC000084309490 488044010 /nfs/dbraw/zinc/04/40/10/488044010.db2.gz PQDIDEPTPFMVQS-WCBMZHEXSA-N 1 0 222.292 0.734 10 0 BCAERO COCCN(C)C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000084309988 488044159 /nfs/dbraw/zinc/04/41/59/488044159.db2.gz YRFVHIDWVDYUTM-NXEZZACHSA-N 1 0 214.309 0.466 10 0 BCAERO C[C@@H](NC(=O)COC1(C)C[NH2+]C1)C1CC1 ZINC000165826335 488044040 /nfs/dbraw/zinc/04/40/40/488044040.db2.gz LVAFUFXVZNWUNM-MRVPVSSYSA-N 1 0 212.293 0.280 10 0 BCAERO CC[C@@](C)(O)C[N@@H+]1CCC[C@](CO)(OC)C1 ZINC000401720238 488056275 /nfs/dbraw/zinc/05/62/75/488056275.db2.gz NFRXUWMTJVPVGU-NEPJUHHUSA-N 1 0 231.336 0.621 10 0 BCAERO CCC[C@H](O)C[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000220599183 488057722 /nfs/dbraw/zinc/05/77/22/488057722.db2.gz XQMHXYYFTHKWEA-OLZOCXBDSA-N 1 0 242.363 0.554 10 0 BCAERO CC(C)[C@@H]([NH3+])CC(=O)NCc1cc[nH]n1 ZINC000128997135 488062882 /nfs/dbraw/zinc/06/28/82/488062882.db2.gz UZLBWYQSYZZCDR-VIFPVBQESA-N 1 0 210.281 0.399 10 0 BCAERO C[C@@]1(C(=O)NCC2(CO)CC2)CCCC[NH2+]1 ZINC000159579887 488066622 /nfs/dbraw/zinc/06/66/22/488066622.db2.gz HCLVOFUQFBVEEM-NSHDSACASA-N 1 0 226.320 0.407 10 0 BCAERO CN(C)[C@@H]1CC[N@@H+]([C@@H]2CCCC[C@H]2O)C1 ZINC000226247025 488082831 /nfs/dbraw/zinc/08/28/31/488082831.db2.gz FLNPZSGXDORNEV-IJLUTSLNSA-N 1 0 212.337 0.926 10 0 BCAERO CC[N@@H+]1CCC[C@H](NC(=O)CCCCO)C1 ZINC000092174749 488085688 /nfs/dbraw/zinc/08/56/88/488085688.db2.gz FWUJCRLUTKWNFU-NSHDSACASA-N 1 0 228.336 0.750 10 0 BCAERO Cc1nccc(C(=O)N2CCC[C@H]([NH3+])C2)n1 ZINC000257748047 488087172 /nfs/dbraw/zinc/08/71/72/488087172.db2.gz XYUODJGRMSGUSF-VIFPVBQESA-N 1 0 220.276 0.348 10 0 BCAERO Nc1ccc(C[N@@H+]2CC[C@@H](CCO)C2)cn1 ZINC000159777706 488088045 /nfs/dbraw/zinc/08/80/45/488088045.db2.gz RQRRENDOFUWBKL-JTQLQIEISA-N 1 0 221.304 0.868 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N(C)c1ccccc1OC ZINC000159875529 488090339 /nfs/dbraw/zinc/09/03/39/488090339.db2.gz IWICOWDXEVSHGN-SECBINFHSA-N 1 0 238.287 0.632 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC000136291134 488092721 /nfs/dbraw/zinc/09/27/21/488092721.db2.gz CWCDHVWGMWFYDP-VHSXEESVSA-N 1 0 241.335 0.084 10 0 BCAERO CCN(C[C@@H]1CCOC1)C(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000227803101 488093383 /nfs/dbraw/zinc/09/33/83/488093383.db2.gz URFQZCSPJVLZNT-QJPTWQEYSA-N 1 0 240.347 0.999 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)N[C@@H]1CCCCNC1=O ZINC000136335169 488096183 /nfs/dbraw/zinc/09/61/83/488096183.db2.gz GJRGFTBQKAOJGU-NXEZZACHSA-N 1 0 241.335 0.145 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N[C@@H](C)c1c(C)noc1C ZINC000160006343 488097386 /nfs/dbraw/zinc/09/73/86/488097386.db2.gz KGGKTODHBZBLCY-IMTBSYHQSA-N 1 0 241.291 0.442 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)N1CCC[C@@H]1COC ZINC000236905839 488097678 /nfs/dbraw/zinc/09/76/78/488097678.db2.gz BMFRBEVKHIDWPQ-NXEZZACHSA-N 1 0 214.309 0.751 10 0 BCAERO CC(C)C(=O)NCCNC(=O)C[C@@H]([NH3+])C(C)C ZINC000136426006 488102515 /nfs/dbraw/zinc/10/25/15/488102515.db2.gz WROLSZRWFQGQBL-SNVBAGLBSA-N 1 0 243.351 0.248 10 0 BCAERO Cn1cc(CN[C@H]2CCC[NH2+]CC2)nn1 ZINC000389834930 488116457 /nfs/dbraw/zinc/11/64/57/488116457.db2.gz MXTDCYGWQKRZNA-VIFPVBQESA-N 1 0 209.297 0.047 10 0 BCAERO CN(Cc1cn[nH]c1)C(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000085013490 488122621 /nfs/dbraw/zinc/12/26/21/488122621.db2.gz FDOBZAQSWZLMQK-VHSXEESVSA-N 1 0 222.292 0.496 10 0 BCAERO COC[C@H](C)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000237232491 488124393 /nfs/dbraw/zinc/12/43/93/488124393.db2.gz BXVNTLSHCKWHKJ-UWVGGRQHSA-N 1 0 214.309 0.527 10 0 BCAERO CNC(=O)[C@@H]1CCC[N@@H+]([C@@H]2CCC[C@H]2O)C1 ZINC000232296710 487544563 /nfs/dbraw/zinc/54/45/63/487544563.db2.gz YFTPMWHZHMGVFE-GMTAPVOTSA-N 1 0 226.320 0.358 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)Nc1ccn(CC)n1 ZINC000300904453 487548086 /nfs/dbraw/zinc/54/80/86/487548086.db2.gz QUIXFVRWDPFZGT-MRVPVSSYSA-N 1 0 210.281 0.969 10 0 BCAERO CCn1ccc(NC(=O)[C@H]2CCC[NH2+]C2)n1 ZINC000300908576 487549301 /nfs/dbraw/zinc/54/93/01/487549301.db2.gz RJQIHTSAUBTLFY-VIFPVBQESA-N 1 0 222.292 0.841 10 0 BCAERO C[NH2+][C@@H](C)C(=O)N[C@@H]1CCC[C@@H](O)C1 ZINC000227152732 487555955 /nfs/dbraw/zinc/55/59/55/487555955.db2.gz AFUBVCXAZXQQMS-DJLDLDEBSA-N 1 0 200.282 0.014 10 0 BCAERO C[C@@H]1CN(c2ccc3nccnc3n2)CC[NH2+]1 ZINC000094725902 487556537 /nfs/dbraw/zinc/55/65/37/487556537.db2.gz TZTGHCKLAOXASD-SECBINFHSA-N 1 0 229.287 0.823 10 0 BCAERO COC[C@H]([NH3+])C(=O)N[C@H](C(C)C)C1CC1 ZINC000323957168 487470959 /nfs/dbraw/zinc/47/09/59/487470959.db2.gz FNJCPPRBULZUGA-VHSXEESVSA-N 1 0 214.309 0.511 10 0 BCAERO C[C@@H](O)CC[NH2+]C[C@@H](O)COCc1ccco1 ZINC000085989280 487471049 /nfs/dbraw/zinc/47/10/49/487471049.db2.gz WXNTTXSFYAJCAQ-GHMZBOCLSA-N 1 0 243.303 0.518 10 0 BCAERO COC[C@@H](C)[NH2+]CCCS(=O)(=O)C(C)C ZINC000380330652 487471738 /nfs/dbraw/zinc/47/17/38/487471738.db2.gz OBOWZBLPTFPZGA-SNVBAGLBSA-N 1 0 237.365 0.824 10 0 BCAERO Cc1cnc([C@@H](C)NC(=O)[C@@H](C)C[NH3+])o1 ZINC000231742731 487472511 /nfs/dbraw/zinc/47/25/11/487472511.db2.gz QPNZHXUFDQUPQN-POYBYMJQSA-N 1 0 211.265 0.755 10 0 BCAERO C[C@H](O)CC[NH2+]C[C@H](O)COc1ccccc1 ZINC000086014014 487472536 /nfs/dbraw/zinc/47/25/36/487472536.db2.gz WEULGQLUULXZTO-RYUDHWBXSA-N 1 0 239.315 0.787 10 0 BCAERO COCC[NH2+]CC(=O)N[C@H](C)c1ncc(C)o1 ZINC000231743942 487473677 /nfs/dbraw/zinc/47/36/77/487473677.db2.gz LSQIURJWMVFJPY-SECBINFHSA-N 1 0 241.291 0.396 10 0 BCAERO C[C@H](NC(=O)[C@@H]1CC[NH2+][C@H]1C)[C@@H]1CCCO1 ZINC000086271015 487494884 /nfs/dbraw/zinc/49/48/84/487494884.db2.gz AZGAGUAJPHZBOT-MMWGEVLESA-N 1 0 226.320 0.668 10 0 BCAERO CC(C)(O)C[NH2+]CCCC(=O)NC1CC1 ZINC000086275951 487497317 /nfs/dbraw/zinc/49/73/17/487497317.db2.gz CLYJKPKSAXYHHU-UHFFFAOYSA-N 1 0 214.309 0.406 10 0 BCAERO C[NH2+][C@H](C)C(=O)NCC1(CO)CCCCC1 ZINC000168348812 487499495 /nfs/dbraw/zinc/49/94/95/487499495.db2.gz JGSNGUAVDRAHCW-SNVBAGLBSA-N 1 0 228.336 0.653 10 0 BCAERO CCS(=O)(=O)c1ccccc1CC[NH3+] ZINC000063046516 487511641 /nfs/dbraw/zinc/51/16/41/487511641.db2.gz WVXYFPZRQDAKPZ-UHFFFAOYSA-N 1 0 213.302 0.981 10 0 BCAERO CO[C@@H](C[NH3+])CC(=O)NCC[C@H]1CCCO1 ZINC000232117279 487514008 /nfs/dbraw/zinc/51/40/08/487514008.db2.gz MWPXSAFWRRDLSN-NXEZZACHSA-N 1 0 230.308 0.036 10 0 BCAERO COC[C@H](CN1C[C@H]2CCC[N@@H+]2C[C@H]1C)OC ZINC000300565136 487522396 /nfs/dbraw/zinc/52/23/96/487522396.db2.gz JBTXVAVHRGBJQQ-UPJWGTAASA-N 1 0 242.363 0.816 10 0 BCAERO [NH3+][C@@H]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[C@@H]1O ZINC000227090724 487523110 /nfs/dbraw/zinc/52/31/10/487523110.db2.gz SWJLYZWDUDUBLP-MMWGEVLESA-N 1 0 226.320 0.391 10 0 BCAERO COCC[N@H+](CCO)C[C@H]1CCC[C@@H](O)C1 ZINC000390318215 488147605 /nfs/dbraw/zinc/14/76/05/488147605.db2.gz HSWXJBNASQIDDE-NWDGAFQWSA-N 1 0 231.336 0.478 10 0 BCAERO C[C@@H]1OCC[C@H]1NC(=O)COC1CC[NH2+]CC1 ZINC000149755462 487569853 /nfs/dbraw/zinc/56/98/53/487569853.db2.gz YBVBDLBKFUGVPU-GXSJLCMTSA-N 1 0 242.319 0.049 10 0 BCAERO c1cnc2nc(NC[C@@H]3COCC[NH2+]3)ccc2n1 ZINC000232450787 487594380 /nfs/dbraw/zinc/59/43/80/487594380.db2.gz QLLJOZIXUZXYEE-SECBINFHSA-N 1 0 245.286 0.425 10 0 BCAERO c1nc2c(c(NC[C@H]3COCC[NH2+]3)n1)CCCC2 ZINC000232575908 487611482 /nfs/dbraw/zinc/61/14/82/487611482.db2.gz QZYJWVZKTFERGB-JTQLQIEISA-N 1 0 248.330 0.756 10 0 BCAERO CC(C)[N@H+](C)C[C@H](O)CN1CCC[C@H](O)[C@H]1C ZINC000384894014 487753681 /nfs/dbraw/zinc/75/36/81/487753681.db2.gz LQDKPSIXIBWUHG-AGIUHOORSA-N 1 0 244.379 0.533 10 0 BCAERO C[C@@H]1CN(C(=O)[C@]2(C)CCC[NH2+]2)C[C@@H](C)O1 ZINC000070618472 487983625 /nfs/dbraw/zinc/98/36/25/487983625.db2.gz OXPWRGCCLAFYTN-FOGDFJRCSA-N 1 0 226.320 0.764 10 0 BCAERO C[C@H](O)C1CC[NH+](C[C@@H]2CNCCO2)CC1 ZINC000235548014 488137879 /nfs/dbraw/zinc/13/78/79/488137879.db2.gz RHSMZNAEMATHNN-JQWIXIFHSA-N 1 0 228.336 0.068 10 0 BCAERO Cc1cc(C(=O)N2C[C@H](C)[C@H]([NH3+])C2)n(C)n1 ZINC000235654012 488138816 /nfs/dbraw/zinc/13/88/16/488138816.db2.gz GACZMQJMNXRDPS-IONNQARKSA-N 1 0 222.292 0.148 10 0 BCAERO Cc1nc(CN2CC[C@@H]3OCC[NH2+][C@H]3C2)co1 ZINC000404076834 488146936 /nfs/dbraw/zinc/14/69/36/488146936.db2.gz FXUHKNPMPAIJSP-RYUDHWBXSA-N 1 0 237.303 0.546 10 0 BCAERO CCCCNC(=O)N1CC[C@H]2OCC[NH2+][C@H]2C1 ZINC000404190777 488149452 /nfs/dbraw/zinc/14/94/52/488149452.db2.gz HLTVBFZGOKAKAN-WDEREUQCSA-N 1 0 241.335 0.559 10 0 BCAERO CCn1cc(CN[C@H]2CCC[NH2+]CC2)nn1 ZINC000404431727 488159368 /nfs/dbraw/zinc/15/93/68/488159368.db2.gz NJDBTIAFFGBCND-JTQLQIEISA-N 1 0 223.324 0.530 10 0 BCAERO [NH3+][C@H]1CC[C@H](C(=O)N2CCCc3n[nH]cc3C2)C1 ZINC000404617374 488172226 /nfs/dbraw/zinc/17/22/26/488172226.db2.gz KWKNCRBVEUJVHK-ONGXEEELSA-N 1 0 248.330 0.812 10 0 BCAERO [NH3+][C@@H]1CC[C@@H](C(=O)N2CCCc3n[nH]cc3C2)C1 ZINC000404617373 488172273 /nfs/dbraw/zinc/17/22/73/488172273.db2.gz KWKNCRBVEUJVHK-MWLCHTKSSA-N 1 0 248.330 0.812 10 0 BCAERO O=C(CC[NH2+]C1CC1)N[C@H]1CCC[C@H](O)C1 ZINC000037478445 488185773 /nfs/dbraw/zinc/18/57/73/488185773.db2.gz WNPAOYUWHPUVBT-QWRGUYRKSA-N 1 0 226.320 0.548 10 0 BCAERO CC(C)(C)[C@H](O)CNC(=O)CC1([NH3+])CC1 ZINC000398026888 488186565 /nfs/dbraw/zinc/18/65/65/488186565.db2.gz HSFVPMPTCJLBFT-MRVPVSSYSA-N 1 0 214.309 0.391 10 0 BCAERO CO[C@H](C)CNC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000299892528 488193206 /nfs/dbraw/zinc/19/32/06/488193206.db2.gz AEGCPUUDQOLWRY-KXUCPTDWSA-N 1 0 214.309 0.513 10 0 BCAERO CCC[C@](C)([NH3+])C(=O)N[C@@H]1CCC[C@@H](O)C1 ZINC000224954640 488218193 /nfs/dbraw/zinc/21/81/93/488218193.db2.gz SQIYRJCAGDSTMB-FOGDFJRCSA-N 1 0 228.336 0.924 10 0 BCAERO Cc1cc(CNC(=O)C[C@@H]2CCC[NH2+]C2)on1 ZINC000054309030 488244804 /nfs/dbraw/zinc/24/48/04/488244804.db2.gz YHOJUHSLBVGQTD-JTQLQIEISA-N 1 0 237.303 0.989 10 0 BCAERO Cc1cc(CNC(=O)C[C@H]2CCC[NH2+]C2)on1 ZINC000054309031 488244889 /nfs/dbraw/zinc/24/48/89/488244889.db2.gz YHOJUHSLBVGQTD-SNVBAGLBSA-N 1 0 237.303 0.989 10 0 BCAERO CCc1nc(C)cc(NCCOCC[NH2+]C)n1 ZINC000630529776 490101709 /nfs/dbraw/zinc/10/17/09/490101709.db2.gz DETSLUOOYDTGBB-UHFFFAOYSA-N 1 0 238.335 0.995 10 0 BCAERO [NH3+][C@@H]1CC[C@@H](C(=O)N[C@H]2CCCC[C@@H]2O)C1 ZINC000227321947 490108024 /nfs/dbraw/zinc/10/80/24/490108024.db2.gz SPPIMLKNKHGWLF-ZNSHCXBVSA-N 1 0 226.320 0.534 10 0 BCAERO Cn1cc(C[NH2+][C@@H]2CCC[C@H](O)C2)cn1 ZINC000037163915 490146008 /nfs/dbraw/zinc/14/60/08/490146008.db2.gz STZMQWHADUWUSM-MNOVXSKESA-N 1 0 209.293 0.813 10 0 BCAERO OCC1([NH2+]C[C@@H]2CCC[C@@H](O)C2)CCOCC1 ZINC000383556234 490163433 /nfs/dbraw/zinc/16/34/33/490163433.db2.gz YVVXGEMPDWYNBW-VXGBXAGGSA-N 1 0 243.347 0.669 10 0 BCAERO Cc1nsc(NC[C@H]2COCC[NH2+]2)n1 ZINC000235976787 490184976 /nfs/dbraw/zinc/18/49/76/490184976.db2.gz SWFRNINJCYFJPI-ZETCQYMHSA-N 1 0 214.294 0.247 10 0 BCAERO COc1ncccc1C(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000229588614 490348445 /nfs/dbraw/zinc/34/84/45/490348445.db2.gz HRBPYPVYARWSDT-GXSJLCMTSA-N 1 0 249.314 0.961 10 0 BCAERO O=C(NCc1c[nH]cn1)[C@H]1CCC[NH2+]C1 ZINC000084081146 490365595 /nfs/dbraw/zinc/36/55/95/490365595.db2.gz VZTMTDZOXIVSAU-QMMMGPOBSA-N 1 0 208.265 0.026 10 0 BCAERO CC[C@H]([NH3+])C(=O)N[C@H]1CCC[C@@H](O)C1 ZINC000084200071 490379879 /nfs/dbraw/zinc/37/98/79/490379879.db2.gz YLQSBHPAQJCUNK-YIZRAAEISA-N 1 0 200.282 0.143 10 0 BCAERO CC[C@@H]([NH3+])C(=O)N[C@@H](C)[C@H]1CCCO1 ZINC000084199967 490380181 /nfs/dbraw/zinc/38/01/81/490380181.db2.gz YPDGUAKUJKTKRE-DJLDLDEBSA-N 1 0 200.282 0.407 10 0 BCAERO CC[C@H]([NH3+])C(=O)N[C@@H]1CCC[C@@H](O)C1 ZINC000084200067 490380268 /nfs/dbraw/zinc/38/02/68/490380268.db2.gz YLQSBHPAQJCUNK-HLTSFMKQSA-N 1 0 200.282 0.143 10 0 BCAERO CC[C@@H]([NH3+])C(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000084199684 490380423 /nfs/dbraw/zinc/38/04/23/490380423.db2.gz IVSSQZMOHIWCKA-XHNCKOQMSA-N 1 0 200.282 0.360 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)N[C@H](CO)C(C)C ZINC000129128044 490600102 /nfs/dbraw/zinc/60/01/02/490600102.db2.gz AIZNCBRNOOGMJN-NXEZZACHSA-N 1 0 216.325 0.493 10 0 BCAERO CC(C)([NH3+])c1cn(Cc2cncs2)nn1 ZINC000166823893 491081473 /nfs/dbraw/zinc/08/14/73/491081473.db2.gz AIPXCEGNOWYSNI-UHFFFAOYSA-N 1 0 223.305 0.977 10 0 BCAERO CC[C@H](COC)[NH2+]C[C@H]1CN(CC)CCO1 ZINC000086004764 491056214 /nfs/dbraw/zinc/05/62/14/491056214.db2.gz VFAMDFWIRBBZQE-NEPJUHHUSA-N 1 0 230.352 0.722 10 0 BCAERO O=C(C[C@@H]1CCC[NH2+]C1)N1C[C@H]2CC[C@@H](C1)O2 ZINC000090907858 491069468 /nfs/dbraw/zinc/06/94/68/491069468.db2.gz LFHSBGUXGQOGJT-SDDRHHMPSA-N 1 0 238.331 0.766 10 0 BCAERO Cc1nccnc1NC[C@H]1COCC[NH2+]1 ZINC000235818254 491070864 /nfs/dbraw/zinc/07/08/64/491070864.db2.gz RGHFZRWTBRQUOG-VIFPVBQESA-N 1 0 208.265 0.185 10 0 BCAERO C[C@@H](CC1CCOCC1)[NH2+][C@@H]1CCNC1=O ZINC000309324886 491054008 /nfs/dbraw/zinc/05/40/08/491054008.db2.gz GFHZOZQIBOBNRU-GXSJLCMTSA-N 1 0 226.320 0.670 10 0 BCAERO CCN1C(=O)C[C@@H](C[NH3+])[C@@H]1c1cccnc1 ZINC000328579700 491068869 /nfs/dbraw/zinc/06/88/69/491068869.db2.gz XAKZNHAVAZJJJB-JQWIXIFHSA-N 1 0 219.288 0.950 10 0 BCAERO CC1(C)[C@@H]2CN(C(=O)[C@@H]3C[NH2+]CCOC3)C[C@@H]21 ZINC000643715155 491122759 /nfs/dbraw/zinc/12/27/59/491122759.db2.gz FREOHBNLHAMBSH-MXWKQRLJSA-N 1 0 238.331 0.337 10 0 BCAERO CC(C)C[C@H](C[NH3+])CC(=O)NCC[C@@H](C)O ZINC000083863049 491126569 /nfs/dbraw/zinc/12/65/69/491126569.db2.gz WKPDAHBQYQLWOA-MNOVXSKESA-N 1 0 230.352 0.885 10 0 BCAERO C[C@H](CS(C)(=O)=O)[NH2+]CC[C@@H]1CCCO1 ZINC000081900767 491137008 /nfs/dbraw/zinc/13/70/08/491137008.db2.gz BFUGJAWGEGXAKV-ZJUUUORDSA-N 1 0 235.349 0.578 10 0 BCAERO OCCN1CCC[C@H]([NH2+]Cc2cc[nH]c2)C1 ZINC000309630333 491153195 /nfs/dbraw/zinc/15/31/95/491153195.db2.gz KFAMQFSINKHJGX-LBPRGKRZSA-N 1 0 223.320 0.561 10 0 BCAERO CC1(C[NH2+][C@@H]2CCc3nccn3C2)COC1 ZINC000309762165 491156008 /nfs/dbraw/zinc/15/60/08/491156008.db2.gz IYCIBOGDQUDOMN-SNVBAGLBSA-N 1 0 221.304 0.824 10 0 BCAERO C[NH2+]Cc1csc([C@@H](O)COC)n1 ZINC000757130245 582505183 /nfs/dbraw/zinc/50/51/83/582505183.db2.gz OTJAAWLCNZNEAG-ZETCQYMHSA-N 1 0 202.279 0.542 10 0 BCAERO C1CSC[C@@]2(C1)[NH2+]C[C@]1(COCCN1)CO2 ZINC000757138654 582518303 /nfs/dbraw/zinc/51/83/03/582518303.db2.gz DCPWIUNLOKGWTN-QWRGUYRKSA-N 1 0 244.360 0.188 10 0 BCAERO C[C@H]([NH3+])[C@@H](N1CC[C@H]1C(N)=O)C(C)(C)C ZINC000757141658 582522640 /nfs/dbraw/zinc/52/26/40/582522640.db2.gz DMCWIUXWXRKQDO-XHNCKOQMSA-N 1 0 213.325 0.308 10 0 BCAERO [NH3+]C[C@H]1CCN1c1cccc2nccn21 ZINC000757145444 582527979 /nfs/dbraw/zinc/52/79/79/582527979.db2.gz LLBLWSAURYITHP-SECBINFHSA-N 1 0 202.261 0.872 10 0 BCAERO CC(C)(C)[C@@H]1C[NH2+][C@@]2(CCS(=O)(=O)C2)OC1 ZINC000757145800 582528736 /nfs/dbraw/zinc/52/87/36/582528736.db2.gz ITRAIVOBRXNGKC-KOLCDFICSA-N 1 0 247.360 0.783 10 0 BCAERO CCCC[C@@H]([NH3+])CS(=O)(=O)N1CCCC1 ZINC000757147652 582531328 /nfs/dbraw/zinc/53/13/28/582531328.db2.gz CWPSWRQBHGFWSG-SNVBAGLBSA-N 1 0 234.365 0.930 10 0 BCAERO COC[C@@H]1CCO[C@]2(CCSC2)[NH2+]1 ZINC000757148276 582532550 /nfs/dbraw/zinc/53/25/50/582532550.db2.gz MYZWEHLLLFBAQS-IUCAKERBSA-N 1 0 203.307 0.845 10 0 BCAERO CC[C@H]([NH3+])CS(=O)(=O)N1CCCCCC1 ZINC000757147565 582531755 /nfs/dbraw/zinc/53/17/55/582531755.db2.gz CQDNLWRFGCUVMX-JTQLQIEISA-N 1 0 234.365 0.930 10 0 BCAERO C1CC12C[NH2+][C@@]1(CN3CCC1CC3)OC2 ZINC000757148765 582532909 /nfs/dbraw/zinc/53/29/09/582532909.db2.gz VSKAZAAIHNYJHB-LBPRGKRZSA-N 1 0 208.305 0.808 10 0 BCAERO COC[C@@H]1CCO[C@@]2(CCSC2)[NH2+]1 ZINC000757148270 582532855 /nfs/dbraw/zinc/53/28/55/582532855.db2.gz MYZWEHLLLFBAQS-DTWKUNHWSA-N 1 0 203.307 0.845 10 0 BCAERO CC[C@H](C)[C@@H]([NH3+])CS(=O)(=O)N1CCCC1 ZINC000757150193 582534221 /nfs/dbraw/zinc/53/42/21/582534221.db2.gz FCWFCDPWXCXYTA-UWVGGRQHSA-N 1 0 234.365 0.785 10 0 BCAERO CC(C)S(=O)(=O)CCCN1CC[C@H]1C[NH3+] ZINC000757150437 582534502 /nfs/dbraw/zinc/53/45/02/582534502.db2.gz WHXZOGHDKLQIGZ-JTQLQIEISA-N 1 0 234.365 0.233 10 0 BCAERO CC[C@@]1(C)CCO[C@]2(CCS(=O)(=O)C2)[NH2+]1 ZINC000757152444 582536930 /nfs/dbraw/zinc/53/69/30/582536930.db2.gz SJEQRYVUZJMDOK-UWVGGRQHSA-N 1 0 233.333 0.680 10 0 BCAERO CCCN(C)S(=O)(=O)C[C@@H]([NH3+])C(C)C ZINC000757151433 582536213 /nfs/dbraw/zinc/53/62/13/582536213.db2.gz HAQIJIFLSTXGSN-SECBINFHSA-N 1 0 222.354 0.641 10 0 BCAERO C[C@@H]1C[C@H](C)Nc2nc(CCC[NH3+])nn21 ZINC000235696415 582603011 /nfs/dbraw/zinc/60/30/11/582603011.db2.gz FRJULXFQTXGVOQ-JGVFFNPUSA-N 1 0 209.297 0.935 10 0 BCAERO Cc1nn(C)c(C)c1[C@@H]1CC[NH+]=C(N)N1 ZINC000235830024 582614340 /nfs/dbraw/zinc/61/43/40/582614340.db2.gz BRPNTTWFYNBDGG-QMMMGPOBSA-N 1 0 207.281 0.386 10 0 BCAERO CC[C@@H](C)[NH2+]CC(=O)NC[C@@H]1CCCOC1 ZINC000038046188 522227052 /nfs/dbraw/zinc/22/70/52/522227052.db2.gz OCZZCDZYTREYGB-MNOVXSKESA-N 1 0 228.336 0.917 10 0 BCAERO C[C@H](NC[C@H](O)C(F)(F)F)[C@@H]1CCC[NH2+]1 ZINC000400585269 533897664 /nfs/dbraw/zinc/89/76/64/533897664.db2.gz RWTHPPRITNYIRZ-FXQIFTODSA-N 1 0 226.242 0.640 10 0 BCAERO CCSCC[N@@H+]1C[C@@H](O)C[C@@H]1CO ZINC000179175876 535684918 /nfs/dbraw/zinc/68/49/18/535684918.db2.gz BWXMCPRQDGIJJM-BDAKNGLRSA-N 1 0 205.323 0.167 10 0 BCAERO CCn1c(C)nnc1CN(C)C1C[NH2+]C1 ZINC000261543220 535972119 /nfs/dbraw/zinc/97/21/19/535972119.db2.gz HQKPQCMRFAKLQL-UHFFFAOYSA-N 1 0 209.297 0.010 10 0 BCAERO COC(=O)[C@@H](C)C[N@H+](C)[C@@H]1CCC[C@H]1O ZINC000511599430 534212176 /nfs/dbraw/zinc/21/21/76/534212176.db2.gz ZGPGQKQIFYZVBE-IVZWLZJFSA-N 1 0 215.293 0.641 10 0 BCAERO CC[C@H](OC)C(=O)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261957040 536017668 /nfs/dbraw/zinc/01/76/68/536017668.db2.gz ZSEDYBLCDAKJLT-VHSXEESVSA-N 1 0 228.336 0.997 10 0 BCAERO CCC[C@H](C(=O)NCC1(CCO)CC1)[NH+](C)C ZINC000188011034 517605093 /nfs/dbraw/zinc/60/50/93/517605093.db2.gz VUWRPFHJHVJXDQ-LLVKDONJSA-N 1 0 242.363 0.996 10 0 BCAERO C[NH2+][C@@H](C)CNc1nc(C)cc(OC)n1 ZINC000261535641 536344834 /nfs/dbraw/zinc/34/48/34/536344834.db2.gz OXBGBGGIKKIQQI-QMMMGPOBSA-N 1 0 210.281 0.813 10 0 BCAERO CCOC(=O)c1nc([C@H]([NH3+])C2CC2)no1 ZINC000095532860 521599295 /nfs/dbraw/zinc/59/92/95/521599295.db2.gz UYUDSMGGEMVULT-ZCFIWIBFSA-N 1 0 211.221 0.656 10 0 BCAERO COCCOc1cnc2c(c1)C[NH2+]CC2 ZINC000072221105 521749466 /nfs/dbraw/zinc/74/94/66/521749466.db2.gz FIUTUDOCSFLNNB-UHFFFAOYSA-N 1 0 208.261 0.753 10 0 BCAERO CCn1cc(C(=O)N2CC[C@@H]([NH3+])C2)ccc1=O ZINC000229016695 523331752 /nfs/dbraw/zinc/33/17/52/523331752.db2.gz CWYFTKAUIQGGPA-SNVBAGLBSA-N 1 0 235.287 0.041 10 0 BCAERO CCc1c(C)nc(NCCOC)[nH+]c1NN ZINC000057331673 523709855 /nfs/dbraw/zinc/70/98/55/523709855.db2.gz IFKIMEWRVKFGAX-UHFFFAOYSA-N 1 0 225.296 0.691 10 0 BCAERO Cc1cccc(N(C)C(=O)CN2CC[C@H]([NH3+])C2)c1 ZINC000229004988 524510795 /nfs/dbraw/zinc/51/07/95/524510795.db2.gz WXMUCNKNSLGZJL-LBPRGKRZSA-N 1 0 247.342 0.991 10 0 BCAERO Cc1cccc(N2CCN(C(=O)C[NH3+])C[C@@H]2C)c1 ZINC000229012212 524546754 /nfs/dbraw/zinc/54/67/54/524546754.db2.gz OAKCOHFVOMKFDW-LBPRGKRZSA-N 1 0 247.342 0.991 10 0 BCAERO NC(=O)[C@H](Cn1cc(Cl)cn1)[NH2+]C1CC1 ZINC000045436547 582878877 /nfs/dbraw/zinc/87/88/77/582878877.db2.gz IFLXZWYSVKVTPE-QMMMGPOBSA-N 1 0 228.683 0.142 10 0 BCAERO C[NH2+][C@@](C)(CCn1ccnc1C)C(N)=O ZINC000045433107 582878968 /nfs/dbraw/zinc/87/89/68/582878968.db2.gz JFOSZTHRCQXDCJ-JTQLQIEISA-N 1 0 210.281 0.045 10 0 BCAERO C[NH2+][C@@](C)(CCCn1ccnc1)C(N)=O ZINC000045431760 582878274 /nfs/dbraw/zinc/87/82/74/582878274.db2.gz IEYUPVMXXAISTQ-JTQLQIEISA-N 1 0 210.281 0.127 10 0 BCAERO CCC[NH2+][C@@H](Cn1cc(Cl)cn1)C(N)=O ZINC000045436813 582880095 /nfs/dbraw/zinc/88/00/95/582880095.db2.gz MYLYLUBHFAFCSD-QMMMGPOBSA-N 1 0 230.699 0.390 10 0 BCAERO CCOC(=O)c1noc([C@H]2CC[N@H+](C)C2)n1 ZINC000260960275 582886964 /nfs/dbraw/zinc/88/69/64/582886964.db2.gz WGSNQHSFYIBXJD-ZETCQYMHSA-N 1 0 225.248 0.665 10 0 BCAERO COC(=O)[C@@H](C)C[N@H+](C)[C@H]1CCOC1 ZINC000251152216 536438326 /nfs/dbraw/zinc/43/83/26/536438326.db2.gz YJCGGYFCWXGBHL-IUCAKERBSA-N 1 0 201.266 0.516 10 0 BCAERO CC(C)(C)OC(=O)N1C[C@@H]([NH3+])[C@@H](C(C)(C)O)C1 ZINC000306156368 526425802 /nfs/dbraw/zinc/42/58/02/526425802.db2.gz BJPFEBVYTLTISW-DTWKUNHWSA-N 1 0 244.335 0.952 10 0 BCAERO C[NH2+]C[C@H]1CCCN(c2nccc(OC)n2)C1 ZINC000040602140 536466215 /nfs/dbraw/zinc/46/62/15/536466215.db2.gz MTALWHQYJURONQ-SNVBAGLBSA-N 1 0 236.319 0.921 10 0 BCAERO O=C(C[NH2+]Cc1ccc2c(c1)OCO2)NC1CC1 ZINC000057440114 526883617 /nfs/dbraw/zinc/88/36/17/526883617.db2.gz QTRCUQDPEYXYLN-UHFFFAOYSA-N 1 0 248.282 0.784 10 0 BCAERO CO[C@@H](CNC(=O)[C@@H]1CC[C@H](C[NH3+])O1)C(C)C ZINC000261910081 536499163 /nfs/dbraw/zinc/49/91/63/536499163.db2.gz XMWDLRURRLEUKB-VWYCJHECSA-N 1 0 244.335 0.280 10 0 BCAERO [NH3+]CCOCCNC(=O)C1CCCCC1 ZINC000074533318 527189379 /nfs/dbraw/zinc/18/93/79/527189379.db2.gz PHDFORGDKDLPRS-UHFFFAOYSA-N 1 0 214.309 0.658 10 0 BCAERO CC(C)(O)C[NH2+]CCCN1CCOC1=O ZINC000497214538 527351654 /nfs/dbraw/zinc/35/16/54/527351654.db2.gz MUTBDQIHTTUNKU-UHFFFAOYSA-N 1 0 216.281 0.189 10 0 BCAERO [NH3+][C@@H]1CCN(Cc2cnnn2-c2ccccc2)C1 ZINC000229013082 527364322 /nfs/dbraw/zinc/36/43/22/527364322.db2.gz VUGVVGVJKQHGEY-LLVKDONJSA-N 1 0 243.314 0.800 10 0 BCAERO O=C(NC1CC1)c1cc(C2CC[NH2+]CC2)n[nH]1 ZINC000229006642 527494203 /nfs/dbraw/zinc/49/42/03/527494203.db2.gz MDUMQNRZTWXKIQ-UHFFFAOYSA-N 1 0 234.303 0.769 10 0 BCAERO CC(C)[C@@H](C)NC(=O)C[N@@H+]1C[C@H](C)C[C@@H](O)C1 ZINC000401639840 528413782 /nfs/dbraw/zinc/41/37/82/528413782.db2.gz DTXZNTBFHREYPK-IJLUTSLNSA-N 1 0 242.363 0.850 10 0 BCAERO CC(C)[C@@H](C)NC(=O)C[N@@H+]1C[C@H](C)C[C@H](O)C1 ZINC000401639842 528413897 /nfs/dbraw/zinc/41/38/97/528413897.db2.gz DTXZNTBFHREYPK-UTUOFQBUSA-N 1 0 242.363 0.850 10 0 BCAERO CCCCNC(=O)C[N@@H+]1C[C@@H](C)C[C@H](O)C1 ZINC000401768289 528506716 /nfs/dbraw/zinc/50/67/16/528506716.db2.gz VQBRXBBTDSDMCE-QWRGUYRKSA-N 1 0 228.336 0.605 10 0 BCAERO CCOC(=O)CC[N@@H+]1C[C@H](C)C[C@H](O)C1 ZINC000401914155 528731524 /nfs/dbraw/zinc/73/15/24/528731524.db2.gz RNRKTGBINOZAJH-ZJUUUORDSA-N 1 0 215.293 0.642 10 0 BCAERO CCOC(=O)CC[N@@H+]1C[C@H](C)C[C@@H](O)C1 ZINC000401914153 528731220 /nfs/dbraw/zinc/73/12/20/528731220.db2.gz RNRKTGBINOZAJH-NXEZZACHSA-N 1 0 215.293 0.642 10 0 BCAERO CC1(C)C[N@H+](C[C@H]2CNC(=O)O2)CC[C@@H]1O ZINC000303797083 529122920 /nfs/dbraw/zinc/12/29/20/529122920.db2.gz HFULKBUOZLKKIH-BDAKNGLRSA-N 1 0 228.292 0.188 10 0 BCAERO COC1(C(=O)N[C@H]2CCO[C@@H]2C)CC[NH2+]CC1 ZINC000261540731 536541464 /nfs/dbraw/zinc/54/14/64/536541464.db2.gz AKPOIEPJEGATNE-ZJUUUORDSA-N 1 0 242.319 0.049 10 0 BCAERO CC(C)Cn1ncnc1CN1CCC[C@H]1C[NH3+] ZINC000088594998 534927043 /nfs/dbraw/zinc/92/70/43/534927043.db2.gz BONXKACHMOPRHG-NSHDSACASA-N 1 0 237.351 0.857 10 0 BCAERO CC(C)N(C)C(=O)[C@H]([NH3+])C1CCOCC1 ZINC000261581287 534990675 /nfs/dbraw/zinc/99/06/75/534990675.db2.gz NLOBRVDYCFPQRA-SNVBAGLBSA-N 1 0 214.309 0.607 10 0 BCAERO CCC(CC)(NC(=O)[C@H]1CC[C@@H]([NH3+])C1)C(N)=O ZINC000262630925 535000352 /nfs/dbraw/zinc/00/03/52/535000352.db2.gz WFXOKUXBQZOUAA-DTWKUNHWSA-N 1 0 241.335 0.274 10 0 BCAERO CC(C)c1nnc2n1CCN(CC(C)(C)[NH3+])C2 ZINC000261980963 535019355 /nfs/dbraw/zinc/01/93/55/535019355.db2.gz RHDIUSMOLJJNAE-UHFFFAOYSA-N 1 0 237.351 0.954 10 0 BCAERO CC(C)c1nnc2n1CCN(CC[NH3+])C2 ZINC000262991628 535020662 /nfs/dbraw/zinc/02/06/62/535020662.db2.gz NWCMSWYABCLUJR-UHFFFAOYSA-N 1 0 209.297 0.176 10 0 BCAERO CC(C)[C@H]([NH3+])C(=O)NC[C@H]1CCC[C@@H]1O ZINC000084238264 535055610 /nfs/dbraw/zinc/05/56/10/535055610.db2.gz NJVBOGCVFSTAEV-UTLUCORTSA-N 1 0 214.309 0.247 10 0 BCAERO CCC1(C(=O)NC[C@H]2C[NH2+]C[C@H]2O)CCC1 ZINC000262366920 535247790 /nfs/dbraw/zinc/24/77/90/535247790.db2.gz VSWAIXDYCCLFDM-NXEZZACHSA-N 1 0 226.320 0.263 10 0 BCAERO CC(C)[C@@H]1OCC[C@@H]1CNC(=O)CC[NH3+] ZINC000261580084 535295511 /nfs/dbraw/zinc/29/55/11/535295511.db2.gz MQPFKQUZJSBXDN-KOLCDFICSA-N 1 0 214.309 0.513 10 0 BCAERO CCCCOC[C@H](O)C[N@H+](C)[C@@H]1CCOC1 ZINC000227907780 535316065 /nfs/dbraw/zinc/31/60/65/535316065.db2.gz OJCDXZZATCQXOL-VXGBXAGGSA-N 1 0 231.336 0.885 10 0 BCAERO CC(C)CCNC(=O)[C@H](C)N1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000232579713 535385359 /nfs/dbraw/zinc/38/53/59/535385359.db2.gz CYOZMRFXGOTSJE-WOPDTQHZSA-N 1 0 241.379 0.816 10 0 BCAERO CCO[C@@H]1C[C@@H]1C(=O)N1CC[NH2+][C@H](C)[C@@H]1C ZINC000262735326 535426072 /nfs/dbraw/zinc/42/60/72/535426072.db2.gz CJPFGPZRPVPLKK-VPOLOUISSA-N 1 0 226.320 0.620 10 0 BCAERO CCO[C@@H]1C[C@@H]1C(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000262887657 535432345 /nfs/dbraw/zinc/43/23/45/535432345.db2.gz OFAXWGPHYZGLGS-ZRUFSTJUSA-N 1 0 226.320 0.668 10 0 BCAERO CC[C@@H](C(=O)OC)N1CCO[C@H](C[NH+](C)C)C1 ZINC000171636962 535448846 /nfs/dbraw/zinc/44/88/46/535448846.db2.gz RHTSHUGEYNBQGD-MNOVXSKESA-N 1 0 244.335 0.200 10 0 BCAERO CCOCCC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000170856270 535451868 /nfs/dbraw/zinc/45/18/68/535451868.db2.gz UGGOFWVASOYHSQ-NSHDSACASA-N 1 0 226.320 0.720 10 0 BCAERO CCC[C@@H]1C[C@@H]1NC(=O)[C@@]1(COC)CC[NH2+]C1 ZINC000261553531 535462461 /nfs/dbraw/zinc/46/24/61/535462461.db2.gz NXWDMOVRVDOTRZ-MDZLAQPJSA-N 1 0 240.347 0.917 10 0 BCAERO CCOCCC1(CNC(=O)C2C[NH2+]C2)CCC1 ZINC000263281913 535470821 /nfs/dbraw/zinc/47/08/21/535470821.db2.gz JVIYMGJXQRHLOK-UHFFFAOYSA-N 1 0 240.347 0.919 10 0 BCAERO CCO[C@@H]1C[C@H]1C(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000179122463 535523264 /nfs/dbraw/zinc/52/32/64/535523264.db2.gz QQRMJHCYOLKYME-OPRDCNLKSA-N 1 0 212.293 0.232 10 0 BCAERO CC[N@@H+]1CCC[C@H]1CN(C)[C@@H](C)C(=O)OC ZINC000086189131 535593146 /nfs/dbraw/zinc/59/31/46/535593146.db2.gz MKVOHJOMHWEDQK-QWRGUYRKSA-N 1 0 228.336 0.964 10 0 BCAERO CCOCCNC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171900270 535616759 /nfs/dbraw/zinc/61/67/59/535616759.db2.gz PACIPUBAXHVPKC-NSHDSACASA-N 1 0 241.335 0.513 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N[C@@H]1CCC[C@@H](C(N)=O)C1 ZINC000262107488 535678536 /nfs/dbraw/zinc/67/85/36/535678536.db2.gz GBMFOYUMMIDQQT-BBBLOLIVSA-N 1 0 241.335 0.274 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N[C@H]1CCC[C@@H](C(N)=O)C1 ZINC000262107490 535680466 /nfs/dbraw/zinc/68/04/66/535680466.db2.gz GBMFOYUMMIDQQT-UTLUCORTSA-N 1 0 241.335 0.274 10 0 BCAERO CCOC[C@H](O)CN1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000252674989 535698051 /nfs/dbraw/zinc/69/80/51/535698051.db2.gz WNFRUTIRFGRCKB-YNEHKIRRSA-N 1 0 242.363 0.552 10 0 BCAERO CCC[C@H](O)CNC(=O)[C@H]1C[NH2+]C[C@@H]1C ZINC000158789719 535714023 /nfs/dbraw/zinc/71/40/23/535714023.db2.gz WMMIDRJSNLSTFS-GUBZILKMSA-N 1 0 214.309 0.119 10 0 BCAERO CC[C@@H](NC(=O)C[C@@H]1COCC[NH2+]1)C(C)C ZINC000087509262 535787700 /nfs/dbraw/zinc/78/77/00/535787700.db2.gz XLNDCOKHRAJAAX-GHMZBOCLSA-N 1 0 228.336 0.916 10 0 BCAERO CC[C@@H]1COCCN1c1ccnc(C(N)=[NH2+])c1 ZINC000061814128 535836879 /nfs/dbraw/zinc/83/68/79/535836879.db2.gz TUOQCBZLXFGBMU-SECBINFHSA-N 1 0 234.303 0.981 10 0 BCAERO CC[C@](C)(O)C[N@@H+]1CCC[C@](C)(O)C1 ZINC000251432356 535845932 /nfs/dbraw/zinc/84/59/32/535845932.db2.gz BIGZUMRVOYSXFA-QWRGUYRKSA-N 1 0 201.310 0.994 10 0 BCAERO CCc1noc(C)c1C(=O)NC[C@@H](C)[NH2+]C ZINC000261867740 535872897 /nfs/dbraw/zinc/87/28/97/535872897.db2.gz ZGJIADIDPBFCTR-SSDOTTSWSA-N 1 0 225.292 0.883 10 0 BCAERO CCn1c(C)nnc1CN(C)C1CC[NH2+]CC1 ZINC000261972209 535971093 /nfs/dbraw/zinc/97/10/93/535971093.db2.gz DMAVXUJOBJZBCQ-UHFFFAOYSA-N 1 0 237.351 0.790 10 0 BCAERO CC[C@@](C)(O)CN1CCO[C@@H](C[NH+](C)C)C1 ZINC000249129681 536003501 /nfs/dbraw/zinc/00/35/01/536003501.db2.gz RXQLWNOIPSFWHA-NWDGAFQWSA-N 1 0 230.352 0.410 10 0 BCAERO CC[C@H](CCO)CNC(=O)[C@@H]1CCC[C@H]1[NH3+] ZINC000251074928 536089219 /nfs/dbraw/zinc/08/92/19/536089219.db2.gz KHGHPPNREOSVHO-GMTAPVOTSA-N 1 0 228.336 0.639 10 0 BCAERO CO[C@H](C)C[NH2+][C@H]1CCN(C(C)=O)C[C@H]1C ZINC000393798553 582925751 /nfs/dbraw/zinc/92/57/51/582925751.db2.gz QQIHSBJZBHGIPD-FOGDFJRCSA-N 1 0 228.336 0.868 10 0 BCAERO CC[C@H]1CN(C(=O)[C@@H]([NH3+])C(C)C)C[C@H]1O ZINC000261544543 536125680 /nfs/dbraw/zinc/12/56/80/536125680.db2.gz IZVZNFUXHDHWGU-AEJSXWLSSA-N 1 0 214.309 0.199 10 0 BCAERO CCc1cc(N2CCO[C@@H](C[NH3+])C2)ncn1 ZINC000041059051 536147805 /nfs/dbraw/zinc/14/78/05/536147805.db2.gz VPKADSCKXGDWQC-JTQLQIEISA-N 1 0 222.292 0.203 10 0 BCAERO CN(C(=O)C[N@H+](C)CC1CC(O)C1)C1CC1 ZINC000084453801 536165984 /nfs/dbraw/zinc/16/59/84/536165984.db2.gz HGTXOAHDDFVRBX-UHFFFAOYSA-N 1 0 226.320 0.310 10 0 BCAERO COC(=O)C[C@@H](C)NC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000261690971 536304422 /nfs/dbraw/zinc/30/44/22/536304422.db2.gz HQFCGOGHGXXFEW-KXUCPTDWSA-N 1 0 242.319 0.572 10 0 BCAERO C[NH2+][C@H](C)CNC(=O)COc1cccc(F)c1 ZINC000261789469 536392058 /nfs/dbraw/zinc/39/20/58/536392058.db2.gz QSJKSUDUMGBDRS-SECBINFHSA-N 1 0 240.278 0.929 10 0 BCAERO C[NH2+][C@H](C)CNC(=O)COCC1CC1 ZINC000261528467 536392280 /nfs/dbraw/zinc/39/22/80/536392280.db2.gz OKXKEDQIHAKXIX-MRVPVSSYSA-N 1 0 200.282 0.137 10 0 BCAERO C[NH2+][C@H](C)CNC(=O)Cn1nc(C)cc1C ZINC000261579170 536392997 /nfs/dbraw/zinc/39/29/97/536392997.db2.gz MDLBBANUJMQQCX-SECBINFHSA-N 1 0 224.308 0.224 10 0 BCAERO C[NH2+][C@H](C)CNC(=O)[C@H](C)CSC ZINC000261529795 536399222 /nfs/dbraw/zinc/39/92/22/536399222.db2.gz VUMMCXUYTJJNIM-HTQZYQBOSA-N 1 0 204.339 0.710 10 0 BCAERO C[NH2+][C@H](C)CNC(=O)c1ccc(C)[nH]c1=O ZINC000261599651 536400419 /nfs/dbraw/zinc/40/04/19/536400419.db2.gz ZVJKXBMPAJJRIN-MRVPVSSYSA-N 1 0 223.276 0.433 10 0 BCAERO C[NH2+][C@H](C)CNC(=O)c1cccc2nccnc21 ZINC000261555340 536401086 /nfs/dbraw/zinc/40/10/86/536401086.db2.gz BJIJRMBIBDFBLH-SECBINFHSA-N 1 0 244.298 0.968 10 0 BCAERO C[NH2+][C@H](C)CNC(=O)c1c[nH]c(=O)cc1C ZINC000261841063 536401463 /nfs/dbraw/zinc/40/14/63/536401463.db2.gz WIJFXHUYESIADM-MRVPVSSYSA-N 1 0 223.276 0.433 10 0 BCAERO C[NH2+][C@H](C)CNC(=O)c1cnccc1C ZINC000261651355 536401707 /nfs/dbraw/zinc/40/17/07/536401707.db2.gz FDWRTGVQOTWLKN-SECBINFHSA-N 1 0 207.277 0.728 10 0 BCAERO C[NH2+][C@H](C)CNC(=O)c1scnc1C ZINC000261528255 536402234 /nfs/dbraw/zinc/40/22/34/536402234.db2.gz KUVIGYKJFVULSO-ZCFIWIBFSA-N 1 0 213.306 0.789 10 0 BCAERO C[NH2+][C@H](C)CNC(=O)c1ncccc1O ZINC000261529425 536402177 /nfs/dbraw/zinc/40/21/77/536402177.db2.gz ARYWFPYYOMWUPJ-SSDOTTSWSA-N 1 0 209.249 0.125 10 0 BCAERO C[NH2+][C@H](C)CNS(=O)(=O)c1c(C)noc1C ZINC000261583311 536402849 /nfs/dbraw/zinc/40/28/49/536402849.db2.gz OXLWQUCNHZHKRF-ZCFIWIBFSA-N 1 0 247.320 0.178 10 0 BCAERO C[NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)nn1 ZINC000051399810 536469507 /nfs/dbraw/zinc/46/95/07/536469507.db2.gz TUHTYFWWRZMRGD-AOOOYVTPSA-N 1 0 236.319 0.810 10 0 BCAERO C[NH2+]Cc1ccc(N2C[C@H](C)O[C@@H](C)C2)nn1 ZINC000051399811 536469636 /nfs/dbraw/zinc/46/96/36/536469636.db2.gz TUHTYFWWRZMRGD-UWVGGRQHSA-N 1 0 236.319 0.810 10 0 BCAERO CO[C@H](C[NH3+])C(=O)N(C)[C@H]1CCC[C@H](C)C1 ZINC000261598084 536554289 /nfs/dbraw/zinc/55/42/89/536554289.db2.gz ZKJPEJFPCPTZGB-GARJFASQSA-N 1 0 228.336 0.997 10 0 BCAERO CO[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](C)C[NH3+] ZINC000261572829 536588784 /nfs/dbraw/zinc/58/87/84/536588784.db2.gz IIYFNYHVCKREIR-LPEHRKFASA-N 1 0 214.309 0.655 10 0 BCAERO COC(=O)[C@H](C)C[N@H+](C)[C@H]1CCC[C@H]1O ZINC000251157584 536605895 /nfs/dbraw/zinc/60/58/95/536605895.db2.gz ZGPGQKQIFYZVBE-KXUCPTDWSA-N 1 0 215.293 0.641 10 0 BCAERO CO[C@@H]1CCC[C@@H]1CNC(=O)C1C[NH2+]C1 ZINC000261539248 536615163 /nfs/dbraw/zinc/61/51/63/536615163.db2.gz BXPFGDCMHOXVOC-PSASIEDQSA-N 1 0 212.293 0.137 10 0 BCAERO COC(=O)[C@H](C)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261536762 536630358 /nfs/dbraw/zinc/63/03/58/536630358.db2.gz SVBMWEGJIGFTAR-AXTSPUMRSA-N 1 0 212.293 0.217 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N([C@@H](C)C1CC1)C1CC1 ZINC000262047031 536653380 /nfs/dbraw/zinc/65/33/80/536653380.db2.gz GYKZXHIFYFXNCD-GZMMTYOYSA-N 1 0 226.320 0.750 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N1CCCC1(C)C ZINC000088004255 536655021 /nfs/dbraw/zinc/65/50/21/536655021.db2.gz CGSWIUOEVHCVDO-MRVPVSSYSA-N 1 0 200.282 0.361 10 0 BCAERO COC[C@]1(C(=O)N[C@H]2C[C@@H]2C)CC[NH2+]C1 ZINC000261531971 536658664 /nfs/dbraw/zinc/65/86/64/536658664.db2.gz IOLIZPWYHGLCOG-QXEWZRGKSA-N 1 0 212.293 0.137 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N1CCOC[C@@H]1CC(C)C ZINC000262309933 536659873 /nfs/dbraw/zinc/65/98/73/536659873.db2.gz OWMKZMHKJOMKLO-WDEREUQCSA-N 1 0 244.335 0.234 10 0 BCAERO COC(=O)c1ccc(CN2C[C@H](C)[C@H]([NH3+])C2)o1 ZINC000261543533 536681302 /nfs/dbraw/zinc/68/13/02/536681302.db2.gz UBVAXQSWUCTXIP-WCBMZHEXSA-N 1 0 238.287 0.845 10 0 BCAERO COC1(CO)CC[NH+]([C@H]2CCOC2)CC1 ZINC000348146711 536690972 /nfs/dbraw/zinc/69/09/72/536690972.db2.gz FNBXDFRYHHPPNV-JTQLQIEISA-N 1 0 215.293 0.249 10 0 BCAERO COc1cc(C)nc(N2CCC[C@H]([NH3+])C2)n1 ZINC000162387132 536700324 /nfs/dbraw/zinc/70/03/24/536700324.db2.gz DLRNQFLZLSCGQA-VIFPVBQESA-N 1 0 222.292 0.721 10 0 BCAERO COc1cc(C)nc(N2CC[C@H]([NH3+])[C@@H]2C)n1 ZINC000261580153 536700878 /nfs/dbraw/zinc/70/08/78/536700878.db2.gz MSEGAPMSHSBMFI-IUCAKERBSA-N 1 0 222.292 0.720 10 0 BCAERO COc1cc(CCNC(=O)C2C[NH2+]C2)ccc1C ZINC000262284330 536736570 /nfs/dbraw/zinc/73/65/70/536736570.db2.gz WGQOHZMMOCGYNC-UHFFFAOYSA-N 1 0 248.326 0.882 10 0 BCAERO CO[C@@H](CNC(=O)C1C[NH2+]C1)C(C)(C)C ZINC000261558379 536896581 /nfs/dbraw/zinc/89/65/81/536896581.db2.gz YGAYXXLPTJEAAU-VIFPVBQESA-N 1 0 214.309 0.383 10 0 BCAERO COc1cccc2c1N(C(=O)C[NH3+])CCC2 ZINC000037839068 536957857 /nfs/dbraw/zinc/95/78/57/536957857.db2.gz ZULUMLGGKCMEET-UHFFFAOYSA-N 1 0 220.272 0.933 10 0 BCAERO Cc1c(Cl)cnn1CC[C@@](C)([NH3+])C(N)=O ZINC000070704387 537881642 /nfs/dbraw/zinc/88/16/42/537881642.db2.gz PRHMQJIDCLHLEQ-SECBINFHSA-N 1 0 230.699 0.438 10 0 BCAERO CC(C)(C)C[C@@H]1CS(=O)(=O)C[C@H]1[NH3+] ZINC000075131297 537926691 /nfs/dbraw/zinc/92/66/91/537926691.db2.gz OJFZOQAVTAMMNS-HTQZYQBOSA-N 1 0 205.323 0.795 10 0 BCAERO O=S1(=O)CC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000075128377 537926706 /nfs/dbraw/zinc/92/67/06/537926706.db2.gz BEANQXRJUIUMKN-BDAKNGLRSA-N 1 0 203.307 0.421 10 0 BCAERO C[N@@H+]1CC[C@H](C(=O)NC[C@H](O)C(C)(C)C)C1 ZINC000324628446 537919337 /nfs/dbraw/zinc/91/93/37/537919337.db2.gz SBEWLKDRXVXACE-UWVGGRQHSA-N 1 0 228.336 0.461 10 0 BCAERO CS(=O)(=O)c1cnn(C2CC[NH2+]CC2)c1 ZINC000725252940 538035441 /nfs/dbraw/zinc/03/54/41/538035441.db2.gz PUROAYWXMCHZHT-UHFFFAOYSA-N 1 0 229.305 0.211 10 0 BCAERO Cn1nccc1-c1c(C[NH3+])nnn1CC1CC1 ZINC000725256955 538061630 /nfs/dbraw/zinc/06/16/30/538061630.db2.gz DQADIGHEYSZXGQ-UHFFFAOYSA-N 1 0 232.291 0.547 10 0 BCAERO CC(C)Cn1nnc(C[NH3+])c1-c1ccnn1C ZINC000725256970 538062049 /nfs/dbraw/zinc/06/20/49/538062049.db2.gz DXJZLRYDQOMPEP-UHFFFAOYSA-N 1 0 234.307 0.793 10 0 BCAERO Cn1nccc1-c1c(N)nnn1CCC[NH+](C)C ZINC000725257687 538066198 /nfs/dbraw/zinc/06/61/98/538066198.db2.gz UPCNKPDDMLHTRV-UHFFFAOYSA-N 1 0 249.322 0.213 10 0 BCAERO C[NH2+]Cc1nnn(C(C)C)c1-c1ccnn1C ZINC000725257552 538066300 /nfs/dbraw/zinc/06/63/00/538066300.db2.gz QNXCYAGTQPBGPP-UHFFFAOYSA-N 1 0 234.307 0.979 10 0 BCAERO Cn1nccc1-c1c(C[NH3+])nnn1CC1CCC1 ZINC000725257837 538069913 /nfs/dbraw/zinc/06/99/13/538069913.db2.gz YEFUCMMKWLFKSZ-UHFFFAOYSA-N 1 0 246.318 0.937 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N[C@H]1CCOC1 ZINC000250643311 538106888 /nfs/dbraw/zinc/10/68/88/538106888.db2.gz IIXHIFCDTSBWCI-GUBZILKMSA-N 1 0 212.293 0.267 10 0 BCAERO CC(C)[C@@H]([NH3+])CC(=O)N[C@@H](C)CCCO ZINC000129139252 566300735 /nfs/dbraw/zinc/30/07/35/566300735.db2.gz DGXRMVVHTYVNFI-UWVGGRQHSA-N 1 0 216.325 0.637 10 0 BCAERO CCCCS(=O)(=O)NC[C@@H]1CC[NH2+]C[C@@H]1C ZINC000129825096 566316772 /nfs/dbraw/zinc/31/67/72/566316772.db2.gz LUPSTYFUBIVTKR-QWRGUYRKSA-N 1 0 248.392 0.952 10 0 BCAERO CCC1(C)CCN([C@@H]2C[NH2+]C[C@H]2O)CC1 ZINC000082524540 566409680 /nfs/dbraw/zinc/40/96/80/566409680.db2.gz QJDDVBMCZRSKPD-GHMZBOCLSA-N 1 0 212.337 0.831 10 0 BCAERO CC(C)[C@H](C)NC(=O)N1C[C@@H]2[C@@H](C[NH3+])[C@@H]2C1 ZINC000675054201 566416622 /nfs/dbraw/zinc/41/66/22/566416622.db2.gz OIIBEGWMTCEYKX-XWLWVQCSSA-N 1 0 225.336 0.877 10 0 BCAERO COC[C@@H](C)n1ncc2c1nc[nH+]c2NN ZINC000669377297 566423988 /nfs/dbraw/zinc/42/39/88/566423988.db2.gz LUTYDWLDDDUXSN-ZCFIWIBFSA-N 1 0 222.252 0.319 10 0 BCAERO CC(C)C[NH2+]C[C@@H](O)C[C@@]1(O)CCOC1 ZINC000669381259 566424377 /nfs/dbraw/zinc/42/43/77/566424377.db2.gz DDVJBWPWRIHJKP-QWRGUYRKSA-N 1 0 217.309 0.134 10 0 BCAERO CCO[C@@H]1CC[C@@H]2[NH2+]CCN(CC)[C@@H]2N1 ZINC000669380717 566424877 /nfs/dbraw/zinc/42/48/77/566424877.db2.gz ULULYHPEMBICTH-AXFHLTTASA-N 1 0 213.325 0.352 10 0 BCAERO CC[C@H](C)[NH2+]C[C@@H](O)C[C@@]1(O)CCOC1 ZINC000669381292 566425016 /nfs/dbraw/zinc/42/50/16/566425016.db2.gz FFVBKSQWCJGHNH-DCAQKATOSA-N 1 0 217.309 0.277 10 0 BCAERO COCC1(C[NH2+][C@H](C)CO)CCOCC1 ZINC000669381347 566426975 /nfs/dbraw/zinc/42/69/75/566426975.db2.gz GMPWNFJMOGLVGU-SNVBAGLBSA-N 1 0 217.309 0.400 10 0 BCAERO [NH3+]Cc1cc2c(c(C(=O)[O-])c1)C[NH2+]CC2 ZINC000675073956 566454206 /nfs/dbraw/zinc/45/42/06/566454206.db2.gz CKEQXWFKTJKWSP-UHFFFAOYSA-N 1 0 206.245 0.489 10 0 BCAERO COCCC[NH2+]CC[C@H](CO)[C@H]1CCOC1 ZINC000685963784 566487733 /nfs/dbraw/zinc/48/77/33/566487733.db2.gz WUHUCFYFZDVBSH-NEPJUHHUSA-N 1 0 231.336 0.648 10 0 BCAERO [NH3+]C[C@@](O)(C1=CCOCC1)C(F)(F)F ZINC000675052504 583301909 /nfs/dbraw/zinc/30/19/09/583301909.db2.gz FSCXSPFUWFAYHF-SSDOTTSWSA-N 1 0 211.183 0.585 10 0 BCAERO CCS(=O)(=O)N(C)c1ccc(C[NH3+])cc1 ZINC000020224998 582459302 /nfs/dbraw/zinc/45/93/02/582459302.db2.gz WADKUQOTYGOMIF-UHFFFAOYSA-N 1 0 228.317 0.931 10 0 BCAERO CO[C@H](C)C(=O)c1nc(CC[NH3+])cs1 ZINC000757122904 582497740 /nfs/dbraw/zinc/49/77/40/582497740.db2.gz GECKWNQHKSOIDO-ZCFIWIBFSA-N 1 0 214.290 0.862 10 0 BCAERO CO[C@@H](C)C(=O)c1nc(CC[NH3+])cs1 ZINC000757122903 582497762 /nfs/dbraw/zinc/49/77/62/582497762.db2.gz GECKWNQHKSOIDO-LURJTMIESA-N 1 0 214.290 0.862 10 0 BCAERO COCC(=O)c1nc(C)c(C[NH3+])s1 ZINC000757124763 582499417 /nfs/dbraw/zinc/49/94/17/582499417.db2.gz OPUFYXHNWRYDEW-UHFFFAOYSA-N 1 0 200.263 0.739 10 0 BCAERO CC(C)C[NH2+]Cc1ccc(S(N)(=O)=O)nc1 ZINC000757135117 582514187 /nfs/dbraw/zinc/51/41/87/582514187.db2.gz CUDGRSHMFMPQQP-UHFFFAOYSA-N 1 0 243.332 0.475 10 0 BCAERO NC(=O)[C@@H]1CCN1c1ccccc1C[NH3+] ZINC000757139432 582519651 /nfs/dbraw/zinc/51/96/51/582519651.db2.gz BXRUMZXKKNVUJG-JTQLQIEISA-N 1 0 205.261 0.209 10 0 BCAERO CC(C)(C)[C@@H]1CCO[C@@]2(CCS(=O)(=O)C2)[NH2+]1 ZINC000757139746 582520473 /nfs/dbraw/zinc/52/04/73/582520473.db2.gz JXZRFZKAZJDESQ-GXSJLCMTSA-N 1 0 247.360 0.926 10 0 BCAERO CC[NH+]1CCC2(CC1)N[C@H](COC)CCO2 ZINC000757144760 582525431 /nfs/dbraw/zinc/52/54/31/582525431.db2.gz GPUYKBPCKJKDQL-NSHDSACASA-N 1 0 228.336 0.823 10 0 BCAERO Cn1cncc1CCCN1CC[C@H]1C[NH3+] ZINC000757147087 582530600 /nfs/dbraw/zinc/53/06/00/582530600.db2.gz SNAIJXSGDFBDBV-JTQLQIEISA-N 1 0 208.309 0.386 10 0 BCAERO CC1(C)CNC2(CC[NH2+]CC2)O[C@]12CCOC2 ZINC000757150413 582534834 /nfs/dbraw/zinc/53/48/34/582534834.db2.gz XZFYQYCXSRURDA-LBPRGKRZSA-N 1 0 240.347 0.871 10 0 BCAERO COC[C@H]1CCO[C@@]2(CCC[NH2+]C2)N1 ZINC000757150642 582535105 /nfs/dbraw/zinc/53/51/05/582535105.db2.gz RQEGVPJKNKXWIG-NXEZZACHSA-N 1 0 200.282 0.091 10 0 BCAERO [NH3+]C[C@@H]1CCN1c1nccn2nccc12 ZINC000757153946 582539177 /nfs/dbraw/zinc/53/91/77/582539177.db2.gz WLTKMGDAADSRIA-QMMMGPOBSA-N 1 0 203.249 0.267 10 0 BCAERO CNc1cccc(N2CC[C@@H]2C(N)=O)[nH+]1 ZINC000757159471 582541992 /nfs/dbraw/zinc/54/19/92/582541992.db2.gz QCZDYWPHSYDSFT-SSDOTTSWSA-N 1 0 206.249 0.187 10 0 BCAERO CCc1ccc(CSC[C@@H]([NH3+])C(N)=O)o1 ZINC000757163977 582546177 /nfs/dbraw/zinc/54/61/77/582546177.db2.gz GFEZNDARUZJGMK-SECBINFHSA-N 1 0 228.317 0.888 10 0 BCAERO O=C([O-])[C@@H]1CCC[NH2+][C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000757216015 582560957 /nfs/dbraw/zinc/56/09/57/582560957.db2.gz OXUSAXXPCOMMQQ-OPRDCNLKSA-N 1 0 212.293 0.439 10 0 BCAERO O=C([O-])[C@@H]1CCC[NH2+][C@@H]1[C@H]1CCC[NH2+]C1 ZINC000757216012 582560968 /nfs/dbraw/zinc/56/09/68/582560968.db2.gz OXUSAXXPCOMMQQ-IVZWLZJFSA-N 1 0 212.293 0.439 10 0 BCAERO COC(=O)[C@H]1CC[NH2+][C@@H](c2cnnn2C)C1 ZINC000757216140 582561019 /nfs/dbraw/zinc/56/10/19/582561019.db2.gz XYDCWSHJRLPDRE-JGVFFNPUSA-N 1 0 224.264 0.029 10 0 BCAERO COC(=O)[C@H]1CC[NH2+][C@H](c2cnnn2C)C1 ZINC000757216142 582561123 /nfs/dbraw/zinc/56/11/23/582561123.db2.gz XYDCWSHJRLPDRE-YUMQZZPRSA-N 1 0 224.264 0.029 10 0 BCAERO O=C([O-])[C@@H]1CC[C@H]([C@H]2CCC[NH2+]C2)[NH2+]C1 ZINC000757216773 582561375 /nfs/dbraw/zinc/56/13/75/582561375.db2.gz QOWYPLXLZTXDAK-IVZWLZJFSA-N 1 0 212.293 0.439 10 0 BCAERO Cc1ccc([C@H]2CC[NH+]=C(N)N2)cc1N ZINC000235895037 582619607 /nfs/dbraw/zinc/61/96/07/582619607.db2.gz UYCLCHXSMIVISN-SNVBAGLBSA-N 1 0 204.277 0.926 10 0 BCAERO Cc1nn(C)c2nn3c(c12)NCC[C@@H]3C[NH3+] ZINC000235959016 582632571 /nfs/dbraw/zinc/63/25/71/582632571.db2.gz DOCJHJIGRWLYLJ-SSDOTTSWSA-N 1 0 220.280 0.394 10 0 BCAERO [NH3+]Cc1ccnc2nc([C@@H]3CCCO3)nn21 ZINC000236212492 582641853 /nfs/dbraw/zinc/64/18/53/582641853.db2.gz TZTBVBIZQYRNEL-QMMMGPOBSA-N 1 0 219.248 0.435 10 0 BCAERO [NH3+]CCc1nc2n(n1)[C@H]1CCCC[C@H]1CN2 ZINC000236246482 582643162 /nfs/dbraw/zinc/64/31/62/582643162.db2.gz KUWGNKSFGQSTQN-IUCAKERBSA-N 1 0 221.308 0.936 10 0 BCAERO CC[C@H](C)NC(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725259676 582802667 /nfs/dbraw/zinc/80/26/67/582802667.db2.gz GRXXSMDBLYHBDL-QMMMGPOBSA-N 1 0 237.307 0.947 10 0 BCAERO CC(C)N1C[C@H](C)[C@H]([NH2+]CCC(N)=O)C1 ZINC000393604470 582817158 /nfs/dbraw/zinc/81/71/58/582817158.db2.gz ITTLMYXPNWCEBE-VHSXEESVSA-N 1 0 213.325 0.180 10 0 BCAERO C[NH2+]C[C@@H](N)c1ccc(OC)cc1OC ZINC000259299472 582821079 /nfs/dbraw/zinc/82/10/79/582821079.db2.gz KAQKFZBDVBVZQC-SNVBAGLBSA-N 1 0 210.277 0.923 10 0 BCAERO C[C@@H](C(=O)NC(C)(C)C)n1cc[nH+]c1N ZINC000702467259 582926436 /nfs/dbraw/zinc/92/64/36/582926436.db2.gz TURBOCIAODUJRO-ZETCQYMHSA-N 1 0 210.281 0.941 10 0 BCAERO CC(C)[C@H](C)NC(=O)Cn1cc[nH+]c1N ZINC000702466519 582926444 /nfs/dbraw/zinc/92/64/44/582926444.db2.gz LGHKLVFIBVVIGC-QMMMGPOBSA-N 1 0 210.281 0.626 10 0 BCAERO COc1ccncc1Cn1cc[nH+]c1N ZINC000702449223 582926759 /nfs/dbraw/zinc/92/67/59/582926759.db2.gz GTZUVGXHSHVHJD-UHFFFAOYSA-N 1 0 204.233 0.917 10 0 BCAERO CCN(C(=O)Cn1cc[nH+]c1N)C1CC1 ZINC000702460281 582926779 /nfs/dbraw/zinc/92/67/79/582926779.db2.gz OEECPEINFSSXFU-UHFFFAOYSA-N 1 0 208.265 0.476 10 0 BCAERO C[C@H]([C@H]([NH3+])C(N)=O)n1ccnc1C1CC1 ZINC000704164044 582938989 /nfs/dbraw/zinc/93/89/89/582938989.db2.gz CVXCBBCQWREJOZ-SVRRBLITSA-N 1 0 208.265 0.134 10 0 BCAERO Cc1cn(CC[NH+]2CCSCC2)nc1N ZINC000707260516 582961876 /nfs/dbraw/zinc/96/18/76/582961876.db2.gz BNAJKCRYQWSEDV-UHFFFAOYSA-N 1 0 226.349 0.823 10 0 BCAERO CN(C)C(=O)c1cc(C[NH3+])n2c1CCCC2 ZINC000708090761 582976666 /nfs/dbraw/zinc/97/66/66/582976666.db2.gz RUTSPTUPKZEEMS-UHFFFAOYSA-N 1 0 221.304 0.985 10 0 BCAERO CC(C)n1nccc1[C@H]1NC(=O)CC[C@H]1[NH3+] ZINC000394517996 582991149 /nfs/dbraw/zinc/99/11/49/582991149.db2.gz FHFPPYRWXPJTOU-KCJUWKMLSA-N 1 0 222.292 0.742 10 0 BCAERO CC[C@H](C[NH3+])[C@@H](O)c1snnc1C ZINC000394828700 583015953 /nfs/dbraw/zinc/01/59/53/583015953.db2.gz BOCMTUIPKROSMZ-RNFRBKRXSA-N 1 0 201.295 0.865 10 0 BCAERO CC[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CCOC2)C1 ZINC000390015610 583086294 /nfs/dbraw/zinc/08/62/94/583086294.db2.gz UQFIIRVOOLVVEI-VHSXEESVSA-N 1 0 227.308 0.169 10 0 BCAERO C[C@H]1OCC[C@@H]1[NH2+]C1CCN(CCO)CC1 ZINC000393813073 583113138 /nfs/dbraw/zinc/11/31/38/583113138.db2.gz ZEBVEZDANGOFDA-PWSUYJOCSA-N 1 0 228.336 0.210 10 0 BCAERO CCN1CCO[C@@H](C[NH2+][C@H](C)CCCCO)C1 ZINC000398372506 583129545 /nfs/dbraw/zinc/12/95/45/583129545.db2.gz JEIJRLDGAXRKMP-OLZOCXBDSA-N 1 0 244.379 0.848 10 0 BCAERO [NH3+]CCN1CCC(NC(=O)CC2CC2)CC1 ZINC000082491386 583801481 /nfs/dbraw/zinc/80/14/81/583801481.db2.gz JVNVGLWKTURUKF-UHFFFAOYSA-N 1 0 225.336 0.326 10 0 BCAERO CCN(CC)C(=O)[C@@H](C)n1cc[nH+]c1N ZINC000702466622 584937302 /nfs/dbraw/zinc/93/73/02/584937302.db2.gz MGBWRGZQQIYBSA-MRVPVSSYSA-N 1 0 210.281 0.895 10 0 BCAERO c1ccc([C@@H]2CCNC3=[NH+]CCN32)nc1 ZINC000232462768 585031090 /nfs/dbraw/zinc/03/10/90/585031090.db2.gz FINBPUGFTXJUGN-JTQLQIEISA-N 1 0 202.261 0.788 10 0 BCAERO Cn1ccnc1[C@@H]1[C@H]([NH3+])CCC(=O)N1C1CC1 ZINC000385391359 585037181 /nfs/dbraw/zinc/03/71/81/585037181.db2.gz UYTXFVWVUMGIIN-KOLCDFICSA-N 1 0 234.303 0.573 10 0 BCAERO COC(=O)[C@@H]1CCC[N@H+](CCC(C)=O)C1 ZINC000103481681 585330674 /nfs/dbraw/zinc/33/06/74/585330674.db2.gz PNZFLRFCUYTXOB-SNVBAGLBSA-N 1 0 213.277 0.851 10 0 BCAERO FC(F)[C@@H]1CCNC2(CC[NH2+]CC2)O1 ZINC000757140402 586427376 /nfs/dbraw/zinc/42/73/76/586427376.db2.gz IZYHNRZJYSWJKK-ZETCQYMHSA-N 1 0 206.236 0.710 10 0 BCAERO FC(F)[C@H]1CCNC2(CC[NH2+]CC2)O1 ZINC000757140394 586427456 /nfs/dbraw/zinc/42/74/56/586427456.db2.gz IZYHNRZJYSWJKK-SSDOTTSWSA-N 1 0 206.236 0.710 10 0 BCAERO [NH3+]C[C@@H]1CCN1c1ncc(Br)cn1 ZINC000757145396 586428362 /nfs/dbraw/zinc/42/83/62/586428362.db2.gz LEUPFDALNBNVRM-ZETCQYMHSA-N 1 0 243.108 0.777 10 0 BCAERO CN1CC[C@]2(C1)[NH2+]CC[C@@H](C(F)F)O2 ZINC000757146020 586428438 /nfs/dbraw/zinc/42/84/38/586428438.db2.gz PSCJLDXQEAAXGQ-CBAPKCEASA-N 1 0 206.236 0.662 10 0 BCAERO [NH3+][C@@H](CS(=O)(=O)N1CCCC1)C1CC1 ZINC000757153789 586429275 /nfs/dbraw/zinc/42/92/75/586429275.db2.gz SHTFBOWAJPIQIA-VIFPVBQESA-N 1 0 218.322 0.149 10 0 BCAERO CC(C)[C@H]([NH3+])CS(=O)(=O)N1CCC1 ZINC000757153103 586429462 /nfs/dbraw/zinc/42/94/62/586429462.db2.gz NDXHCEQQQFYMOG-MRVPVSSYSA-N 1 0 206.311 0.005 10 0 BCAERO CCC[C@@H]([NH3+])CS(=O)(=O)N1CCCC1 ZINC000757151702 586429571 /nfs/dbraw/zinc/42/95/71/586429571.db2.gz JHHWWDBDPGAOGI-SECBINFHSA-N 1 0 220.338 0.539 10 0 BCAERO COC[C@H]1CCO[C@]2(CCN(C)C2)[NH2+]1 ZINC000757153011 586429635 /nfs/dbraw/zinc/42/96/35/586429635.db2.gz VLXZLCLAWYRNEB-ZJUUUORDSA-N 1 0 200.282 0.043 10 0 BCAERO COc1nc(N2CC[C@H]2C[NH3+])ncc1C ZINC000757154012 586429734 /nfs/dbraw/zinc/42/97/34/586429734.db2.gz XCFMAVSQEDDXOI-QMMMGPOBSA-N 1 0 208.265 0.331 10 0 BCAERO [NH3+][C@H](CS(=O)(=O)N1CCC1)c1cccnc1 ZINC000757152333 586429775 /nfs/dbraw/zinc/42/97/75/586429775.db2.gz KDGXNMXLHUZFNX-SNVBAGLBSA-N 1 0 241.316 0.117 10 0 BCAERO COC[C@H](CN1CC[C@H]1C[NH3+])C(C)C ZINC000757157439 586430352 /nfs/dbraw/zinc/43/03/52/586430352.db2.gz NDJOQNFGYZIDDA-QWRGUYRKSA-N 1 0 200.326 0.938 10 0 BCAERO C[C@H]([C@@H]1CCCC[NH2+]1)N1CC[C@@H]1C(N)=O ZINC000757162179 586431650 /nfs/dbraw/zinc/43/16/50/586431650.db2.gz WYZRFFQAWIAFKE-KXUCPTDWSA-N 1 0 211.309 0.077 10 0 BCAERO CNc1cc(N2CC[C@@H]2C(N)=O)cc[nH+]1 ZINC000757160736 586432369 /nfs/dbraw/zinc/43/23/69/586432369.db2.gz SHTAQZAAFMMPIL-MRVPVSSYSA-N 1 0 206.249 0.187 10 0 BCAERO COC(=O)c1c[nH]nc1[C@H]1C[NH2+]C[C@H]1C ZINC000757170941 586433103 /nfs/dbraw/zinc/43/31/03/586433103.db2.gz MBBKGZIEBZPAAL-RQJHMYQMSA-N 1 0 209.249 0.519 10 0 BCAERO [NH3+][C@@H](CO)Cc1cn(CC2CCOCC2)cn1 ZINC000757185309 586433952 /nfs/dbraw/zinc/43/39/52/586433952.db2.gz DGMWFHJXUXCGKX-LLVKDONJSA-N 1 0 239.319 0.172 10 0 BCAERO COC(=O)[C@H]1C[NH2+]C[C@]12CN1CCC2CC1 ZINC000757185276 586434235 /nfs/dbraw/zinc/43/42/35/586434235.db2.gz QRWABILUNKEDML-ZYHUDNBSSA-N 1 0 224.304 0.091 10 0 BCAERO C[N@@H+]1CCC[C@]2(C[NH2+]C[C@H]2C(=O)[O-])CC1 ZINC000757187414 586434433 /nfs/dbraw/zinc/43/44/33/586434433.db2.gz ZQDYALFRWYFFMV-GXSJLCMTSA-N 1 0 212.293 0.393 10 0 BCAERO CCOC(=O)[C@H]1C[NH2+]C[C@@H]1c1ncnn1CC ZINC000757189246 586434904 /nfs/dbraw/zinc/43/49/04/586434904.db2.gz MWGXZVVUOKZZMV-IUCAKERBSA-N 1 0 238.291 0.164 10 0 BCAERO COC(=O)[C@H]1C[NH2+]C[C@@H]1c1ccncc1F ZINC000757187811 586435090 /nfs/dbraw/zinc/43/50/90/586435090.db2.gz IGVKXTMZLLIYBP-BDAKNGLRSA-N 1 0 224.235 0.697 10 0 BCAERO COC(=O)[C@H]1C[NH2+]C[C@H]1c1scnc1C ZINC000757187984 586435185 /nfs/dbraw/zinc/43/51/85/586435185.db2.gz JCNXMHBHLFMXIZ-SFYZADRCSA-N 1 0 226.301 0.928 10 0 BCAERO CCOC(=O)[C@@H]1C[NH2+]C[C@@H]1c1cc[nH]n1 ZINC000757191265 586435613 /nfs/dbraw/zinc/43/56/13/586435613.db2.gz SODLFKOKMQZHAP-JGVFFNPUSA-N 1 0 209.249 0.276 10 0 BCAERO COC(=O)[C@@H](CO)C1CC[NH+](C2CC2)CC1 ZINC000757192203 586435941 /nfs/dbraw/zinc/43/59/41/586435941.db2.gz OLLVAJBRDWDQLN-NSHDSACASA-N 1 0 227.304 0.642 10 0 BCAERO Cc1nn(-c2cc[nH+]cc2)cc1C(N)=O ZINC000757194275 586436279 /nfs/dbraw/zinc/43/62/79/586436279.db2.gz BLWKWJMTZIASEJ-UHFFFAOYSA-N 1 0 202.217 0.675 10 0 BCAERO O=C([O-])[C@@H]1C[NH2+]C[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000757209401 586438243 /nfs/dbraw/zinc/43/82/43/586438243.db2.gz DWIQUGHLXWOURB-GUBZILKMSA-N 1 0 212.293 0.296 10 0 BCAERO C[C@@H]1C[C@H](C)[C@H](C[NH3+])[C@@H](c2cnnn2C)N1 ZINC000757209933 586438298 /nfs/dbraw/zinc/43/82/98/586438298.db2.gz GREBRAXKBAXTBP-DKIAZLNASA-N 1 0 223.324 0.449 10 0 BCAERO Cc1cncc(S(=O)(=O)CC[C@@H](C)[NH3+])c1 ZINC000757209932 586438377 /nfs/dbraw/zinc/43/83/77/586438377.db2.gz JWJQVYLHTLXZOF-SECBINFHSA-N 1 0 228.317 0.901 10 0 BCAERO CC[NH2+]CCS(=O)(=O)c1cncc(C)c1 ZINC000757209164 586438453 /nfs/dbraw/zinc/43/84/53/586438453.db2.gz IGWSKCOHWAZRPD-UHFFFAOYSA-N 1 0 228.317 0.773 10 0 BCAERO CCNS(=O)(=O)C[C@@]12CC[C@@H](C[C@H]1[NH3+])C2 ZINC000757210968 586439106 /nfs/dbraw/zinc/43/91/06/586439106.db2.gz IFMGRXAEDMLSNX-AEJSXWLSSA-N 1 0 232.349 0.443 10 0 BCAERO C[C@@H]1CC[C@H](C[NH3+])[C@H](c2cnnn2C)N1 ZINC000757213181 586439566 /nfs/dbraw/zinc/43/95/66/586439566.db2.gz OVFJMWCJJYVWJZ-NQMVMOMDSA-N 1 0 209.297 0.203 10 0 BCAERO O=C([O-])[C@@H]1CCC[NH2+][C@H]1[C@@H]1CCC[NH2+]C1 ZINC000757216008 586440567 /nfs/dbraw/zinc/44/05/67/586440567.db2.gz OXUSAXXPCOMMQQ-BBBLOLIVSA-N 1 0 212.293 0.439 10 0 BCAERO CCOC(=O)[C@@H]1CC[C@H](c2cnnn2C)[NH2+]C1 ZINC000757215633 586440750 /nfs/dbraw/zinc/44/07/50/586440750.db2.gz WILXANSOSZRKNA-RKDXNWHRSA-N 1 0 238.291 0.419 10 0 BCAERO [NH3+]Cc1ccc([C@@H]2C[NH2+]CC[C@H]2C(=O)[O-])cc1 ZINC000757216480 586441114 /nfs/dbraw/zinc/44/11/14/586441114.db2.gz PSEPCDIKMYSYAT-NEPJUHHUSA-N 1 0 234.299 0.923 10 0 BCAERO O=C([O-])[C@@H]1CC[C@H]([C@@H]2CCC[NH2+]C2)C[NH2+]1 ZINC000757216530 586441325 /nfs/dbraw/zinc/44/13/25/586441325.db2.gz QDTFMLABEKJOAR-UTLUCORTSA-N 1 0 212.293 0.439 10 0 BCAERO O=C([O-])[C@@H]1CC[C@@H]([C@H]2CCC[NH2+]C2)C[NH2+]1 ZINC000757216524 586441432 /nfs/dbraw/zinc/44/14/32/586441432.db2.gz QDTFMLABEKJOAR-AEJSXWLSSA-N 1 0 212.293 0.439 10 0 BCAERO C[C@@H]1C[C@H]([C@H]2C[C@H](C(=O)[O-])CC[NH2+]2)CC[NH2+]1 ZINC000757229465 586442700 /nfs/dbraw/zinc/44/27/00/586442700.db2.gz FAKZNBIJEWYFNL-GWOFURMSSA-N 1 0 226.320 0.827 10 0 BCAERO C[C@@H]1C[C@H]([C@@H]2CC[NH2+]C[C@@H]2C(=O)[O-])CC[NH2+]1 ZINC000757235719 586443664 /nfs/dbraw/zinc/44/36/64/586443664.db2.gz MJJSKJPEVZNYPO-ZNSHCXBVSA-N 1 0 226.320 0.685 10 0 BCAERO CCn1cc([C@@H]2NC[C@@H](C)C[C@@H]2[NH3+])cn1 ZINC000757235788 586443771 /nfs/dbraw/zinc/44/37/71/586443771.db2.gz MTGUWQZLEAVQMW-LSJOCFKGSA-N 1 0 208.309 0.901 10 0 BCAERO C[C@@H]1C[C@H]([C@@H]2CC[C@@H](C(=O)[O-])C[NH2+]2)CC[NH2+]1 ZINC000757235858 586443916 /nfs/dbraw/zinc/44/39/16/586443916.db2.gz MYOMKOKVZGLRDZ-DBIOUOCHSA-N 1 0 226.320 0.827 10 0 BCAERO CCC[C@H](C)n1nnc2c1nc[nH+]c2NN ZINC000757564870 586461401 /nfs/dbraw/zinc/46/14/01/586461401.db2.gz GSCSMSWISNZAIV-LURJTMIESA-N 1 0 221.268 0.868 10 0 BCAERO C[C@@H]1C[C@H]1n1nnc2c1nc[nH+]c2NN ZINC000757568845 586461942 /nfs/dbraw/zinc/46/19/42/586461942.db2.gz RKMGHDKFUZDLCL-RFZPGFLSSA-N 1 0 205.225 0.088 10 0 BCAERO CC[C@@H]1CN(CCC(C)=O)CC[N@@H+]1C[C@@H](C)O ZINC000106104699 588251979 /nfs/dbraw/zinc/25/19/79/588251979.db2.gz OGEMJOCZPIUCHO-CHWSQXEVSA-N 1 0 242.363 0.743 10 0 BCAERO COCCN1CC[N@H+](CCC(C)=O)C[C@@H]1C ZINC000106110300 588252150 /nfs/dbraw/zinc/25/21/50/588252150.db2.gz UFSBFQTXYHBASL-NSHDSACASA-N 1 0 228.336 0.618 10 0 BCAERO CC[N@@H+]1CCC[C@@H]1CN(C)CCS(C)(=O)=O ZINC000106379320 588269479 /nfs/dbraw/zinc/26/94/79/588269479.db2.gz QJENCRBCQDPPLT-LLVKDONJSA-N 1 0 248.392 0.447 10 0 BCAERO COC(=O)c1ccc(NC[C@@H](C)[NH3+])nc1 ZINC000107208487 588342688 /nfs/dbraw/zinc/34/26/88/588342688.db2.gz SAFCIJDGLYVSTM-SSDOTTSWSA-N 1 0 209.249 0.627 10 0 BCAERO CC(C)c1nn(C2CC[NH2+]CC2)c(=O)[nH]1 ZINC000108353035 588461256 /nfs/dbraw/zinc/46/12/56/588461256.db2.gz PHGCLLXPEBPSET-UHFFFAOYSA-N 1 0 210.281 0.619 10 0 BCAERO [NH3+][C@H](C(=O)N[C@H]1CCCOC1)c1ccccc1 ZINC000109549031 588568300 /nfs/dbraw/zinc/56/83/00/588568300.db2.gz FSGBFNRFTAJIED-RYUDHWBXSA-N 1 0 234.299 0.982 10 0 BCAERO Cc1ccnn1[C@@H](C)C[C@@](C)([NH3+])C(N)=O ZINC000203548570 589245771 /nfs/dbraw/zinc/24/57/71/589245771.db2.gz JWEQNKWABUQGTH-WCBMZHEXSA-N 1 0 210.281 0.345 10 0 BCAERO C[NH2+][C@](C)(C[C@@H](C)n1nccc1C)C(N)=O ZINC000203549481 589246044 /nfs/dbraw/zinc/24/60/44/589246044.db2.gz KMZRIOCNCKEHSF-MWLCHTKSSA-N 1 0 224.308 0.606 10 0 BCAERO COC[C@H](C)NC(=S)N1CC[C@@H]([NH+](C)C)C1 ZINC000122386145 589584897 /nfs/dbraw/zinc/58/48/97/589584897.db2.gz VUVOCDHUCVAVII-VHSXEESVSA-N 1 0 245.392 0.532 10 0 BCAERO CC(C)[C@H]([NH3+])Cc1nc(-c2nccn2C)no1 ZINC000122807539 589633764 /nfs/dbraw/zinc/63/37/64/589633764.db2.gz GSPIIZLMXGEOOJ-MRVPVSSYSA-N 1 0 235.291 0.996 10 0 BCAERO CC[C@@H]1CN(c2ccnc(C(N)=O)c2)CC[C@@H]1[NH3+] ZINC000122943777 589644570 /nfs/dbraw/zinc/64/45/70/589644570.db2.gz ATRUQSGXTHXFIE-KOLCDFICSA-N 1 0 248.330 0.744 10 0 BCAERO O=C(N1CCCC1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000123202283 589678210 /nfs/dbraw/zinc/67/82/10/589678210.db2.gz KWXYXYJALOXMIA-LLVKDONJSA-N 1 0 223.320 0.982 10 0 BCAERO C[C@H]1COCC[N@@H+]1CCC1OCCO1 ZINC000123773089 589810414 /nfs/dbraw/zinc/81/04/14/589810414.db2.gz WSGKYRBJLBNSRN-VIFPVBQESA-N 1 0 201.266 0.470 10 0 BCAERO COC[C@H](C)NC(=O)c1cccc(C[NH3+])c1 ZINC000019392762 589897880 /nfs/dbraw/zinc/89/78/80/589897880.db2.gz DFXFYFBDFJGCQB-VIFPVBQESA-N 1 0 222.288 0.910 10 0 BCAERO COc1c(C[NH2+]CC[S@](C)=O)c(C)nn1C ZINC000124192601 589959166 /nfs/dbraw/zinc/95/91/66/589959166.db2.gz AWRZXIPCJLXAKQ-MRXNPFEDSA-N 1 0 245.348 0.205 10 0 BCAERO [NH3+]C[C@@H](O)c1cnn(-c2ccccc2)c1 ZINC000020216691 590089393 /nfs/dbraw/zinc/08/93/93/590089393.db2.gz YBRNQYYEOFHGRQ-LLVKDONJSA-N 1 0 203.245 0.864 10 0 BCAERO Cc1c(CN2CCC[C@H]2C[NH3+])cnn1C ZINC000020315808 590097168 /nfs/dbraw/zinc/09/71/68/590097168.db2.gz RAFFEDRQNZVGAX-NSHDSACASA-N 1 0 208.309 0.652 10 0 BCAERO C[C@H]1C[N@H+](CCC2OCCO2)C[C@@H]1N(C)C ZINC000125257320 590159685 /nfs/dbraw/zinc/15/96/85/590159685.db2.gz FRNLDGLJJARMSM-QWRGUYRKSA-N 1 0 228.336 0.631 10 0 BCAERO C[C@H]1OCC[C@@H]1NC(=O)[C@H]1CCCC[NH2+]1 ZINC000125345179 590162234 /nfs/dbraw/zinc/16/22/34/590162234.db2.gz KBOOQURDBJJESM-KXUCPTDWSA-N 1 0 212.293 0.422 10 0 BCAERO COc1cc(C)nc(COC2C[NH2+]C2)c1 ZINC000125978665 590201950 /nfs/dbraw/zinc/20/19/50/590201950.db2.gz XWSIUTSHBOOEMS-UHFFFAOYSA-N 1 0 208.261 0.887 10 0 BCAERO C[NH2+]CCN(C)c1cncc(Cl)n1 ZINC000126492842 590321013 /nfs/dbraw/zinc/32/10/13/590321013.db2.gz OSXBCOBRTCKUAM-UHFFFAOYSA-N 1 0 200.673 0.786 10 0 BCAERO COc1cc(C)nc(N2CC[C@H]([C@@H](C)[NH3+])C2)n1 ZINC000127245153 590600828 /nfs/dbraw/zinc/60/08/28/590600828.db2.gz ZRHNPRYUZRQUDH-ZJUUUORDSA-N 1 0 236.319 0.967 10 0 BCAERO C[C@H](NC(=O)C1([NH3+])CCOCC1)[C@H]1CCCO1 ZINC000127749013 590769336 /nfs/dbraw/zinc/76/93/36/590769336.db2.gz NTGMJHCXTUIABZ-VHSXEESVSA-N 1 0 242.319 0.178 10 0 BCAERO COC(=O)/C(C)=C\CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000211330485 591159567 /nfs/dbraw/zinc/15/95/67/591159567.db2.gz CKLOIEYRMLHSBN-DKRCXCIFSA-N 1 0 238.331 0.886 10 0 BCAERO C[C@@H]1[N@H+](Cc2ccccc2)CC[C@]1(N)CC(N)=O ZINC000211634042 591209362 /nfs/dbraw/zinc/20/93/62/591209362.db2.gz YUUOWUSRZOHSIA-FZMZJTMJSA-N 1 0 247.342 0.854 10 0 BCAERO C[C@H]1C[C@@](N)(CC(N)=O)C[N@@H+]1Cc1ccccc1 ZINC000211633712 591209450 /nfs/dbraw/zinc/20/94/50/591209450.db2.gz RAZYONAFKOBSBO-SMDDNHRTSA-N 1 0 247.342 0.854 10 0 BCAERO C[NH2+][C@H]1CCN(c2nnnn2-c2ccccc2)C1 ZINC000129152853 591260722 /nfs/dbraw/zinc/26/07/22/591260722.db2.gz JPPPXJROBIHSMK-JTQLQIEISA-N 1 0 244.302 0.460 10 0 BCAERO C[C@H]1[NH2+]CCC[C@H]1NC(=O)c1ccnnc1 ZINC000129445306 591301006 /nfs/dbraw/zinc/30/10/06/591301006.db2.gz NUPDXAXSBJOWTK-PSASIEDQSA-N 1 0 220.276 0.347 10 0 BCAERO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)c1ccnnc1 ZINC000129445688 591301166 /nfs/dbraw/zinc/30/11/66/591301166.db2.gz NUPDXAXSBJOWTK-SCZZXKLOSA-N 1 0 220.276 0.347 10 0 BCAERO CSCCC(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000129452253 591301374 /nfs/dbraw/zinc/30/13/74/591301374.db2.gz UUTZOLXQLPZSCI-IUCAKERBSA-N 1 0 216.350 0.996 10 0 BCAERO Cc1nc(C(=O)N[C@@H]2CCC[NH2+][C@@H]2C)no1 ZINC000129465746 591303161 /nfs/dbraw/zinc/30/31/61/591303161.db2.gz LBKKSKZNSWOORT-HTRCEHHLSA-N 1 0 224.264 0.248 10 0 BCAERO COC(=O)c1ccc(N[C@@H]2CC[NH2+]C2)nc1 ZINC000212442682 591406336 /nfs/dbraw/zinc/40/63/36/591406336.db2.gz LMXRTQWJZWPKGW-SECBINFHSA-N 1 0 221.260 0.642 10 0 BCAERO COC(=O)c1cncc(N(C)C[C@H](C)[NH3+])n1 ZINC000212596969 591416458 /nfs/dbraw/zinc/41/64/58/591416458.db2.gz MRQARJBUSDNRPQ-ZETCQYMHSA-N 1 0 224.264 0.047 10 0 BCAERO NC(=O)C[C@@H]([NH3+])c1ccc(Br)cn1 ZINC000129916973 591417478 /nfs/dbraw/zinc/41/74/78/591417478.db2.gz QXQCHWXJBXWEQG-ZCFIWIBFSA-N 1 0 244.092 0.719 10 0 BCAERO C[C@@H](NC(=O)c1ccnc(C[NH3+])c1)[C@@H]1CCCO1 ZINC000129983643 591427253 /nfs/dbraw/zinc/42/72/53/591427253.db2.gz FFZAALGDDAYSSG-SKDRFNHKSA-N 1 0 249.314 0.838 10 0 BCAERO C[NH+](C)[C@@H]1CCCN(C(=O)n2ccnc2)C1 ZINC000130043168 591433189 /nfs/dbraw/zinc/43/31/89/591433189.db2.gz LUQLDDGYAMJYPS-SNVBAGLBSA-N 1 0 222.292 0.877 10 0 BCAERO [NH3+]Cc1cc(C(=O)N[C@H]2CCCOC2)ccn1 ZINC000130289795 591455724 /nfs/dbraw/zinc/45/57/24/591455724.db2.gz YRCAWNYUNXZLLW-JTQLQIEISA-N 1 0 235.287 0.449 10 0 BCAERO C[C@H]1CN(C(=S)NC2CC2)C[C@@H]1[NH+](C)C ZINC000130402966 591464305 /nfs/dbraw/zinc/46/43/05/591464305.db2.gz RBAPJUMTZZLMGB-WPRPVWTQSA-N 1 0 227.377 0.905 10 0 BCAERO COC(=O)/C(C)=C\CN1CC[C@H]([NH+](C)C)C1 ZINC000214556624 591609344 /nfs/dbraw/zinc/60/93/44/591609344.db2.gz JWOREPWMSMDURB-VQNWOSHQSA-N 1 0 226.320 0.742 10 0 BCAERO C[C@H]1OCC[C@@H]1NC(=O)C[NH2+]CC1CC1 ZINC000134258974 591908211 /nfs/dbraw/zinc/90/82/11/591908211.db2.gz ASPLIULOFKSWFU-SCZZXKLOSA-N 1 0 212.293 0.280 10 0 BCAERO COc1c(C[NH2+][C@@H]2CCN(C)C2)c(C)nn1C ZINC000134400396 591924451 /nfs/dbraw/zinc/92/44/51/591924451.db2.gz ULBMMANZCHRLHC-SNVBAGLBSA-N 1 0 238.335 0.531 10 0 BCAERO C[C@H]1OCC[C@H]1NC(=O)C1CC[NH2+]CC1 ZINC000134556562 591936060 /nfs/dbraw/zinc/93/60/60/591936060.db2.gz XGJBAVYURXUJLD-PSASIEDQSA-N 1 0 212.293 0.280 10 0 BCAERO CCc1nsc(NCC[NH2+]CCOC)n1 ZINC000216384189 592027312 /nfs/dbraw/zinc/02/73/12/592027312.db2.gz ITHKEZPXPGISES-UHFFFAOYSA-N 1 0 230.337 0.748 10 0 BCAERO C[C@]1(C(=O)NC[C@H]2COCCO2)CCCC[NH2+]1 ZINC000136175932 592100826 /nfs/dbraw/zinc/10/08/26/592100826.db2.gz MCFKFUDEMLCOSS-CMPLNLGQSA-N 1 0 242.319 0.050 10 0 BCAERO CCOC(=O)[C@H](C)NC(=O)[C@]1(C)CCCC[NH2+]1 ZINC000136180717 592100887 /nfs/dbraw/zinc/10/08/87/592100887.db2.gz LPIMNQHAYWRWQP-CABZTGNLSA-N 1 0 242.319 0.586 10 0 BCAERO COC[C@@H](CO)[NH2+]CCc1ccccc1 ZINC000219069868 592207293 /nfs/dbraw/zinc/20/72/93/592207293.db2.gz QDPFDUZLMRELAL-GFCCVEGCSA-N 1 0 209.289 0.826 10 0 BCAERO CCN1CCO[C@H](C[NH2+]C[C@@H](O)C2CC2)C1 ZINC000219539294 592226898 /nfs/dbraw/zinc/22/68/98/592226898.db2.gz OCUNCPHAVWGQPG-VXGBXAGGSA-N 1 0 228.336 0.068 10 0 BCAERO CCCCOC(=O)CN1C[C@H](C)[C@H]([NH3+])C1 ZINC000300050030 592501314 /nfs/dbraw/zinc/50/13/14/592501314.db2.gz WPGJSVJIRXUKHL-VHSXEESVSA-N 1 0 214.309 0.609 10 0 BCAERO CCC[C@@H]1C[C@H]1NC(=O)[C@H]([NH3+])CCOC ZINC000300391573 592510077 /nfs/dbraw/zinc/51/00/77/592510077.db2.gz VVMJRFIGZPWJQK-OPRDCNLKSA-N 1 0 214.309 0.655 10 0 BCAERO C[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@H](O)C(F)(F)F ZINC000300354710 592507111 /nfs/dbraw/zinc/50/71/11/592507111.db2.gz CNVQDFHMHQKZIG-XVMARJQXSA-N 1 0 240.225 0.024 10 0 BCAERO CS[C@@H]1CC[C@@H](NC(=O)[C@H]2CC[NH2+]C2)C1 ZINC000300358902 592507878 /nfs/dbraw/zinc/50/78/78/592507878.db2.gz LSWAJKOINXGWFU-IVZWLZJFSA-N 1 0 228.361 0.996 10 0 BCAERO COCC[C@@H]([NH3+])C(=O)N1CCS[C@H](C)C1 ZINC000123373445 592714077 /nfs/dbraw/zinc/71/40/77/592714077.db2.gz RLWRSUZCXOBTPB-RKDXNWHRSA-N 1 0 232.349 0.314 10 0 BCAERO CCN1CCO[C@H](C[NH2+][C@@H]2COCC2(C)C)C1 ZINC000313091635 634449619 /nfs/dbraw/zinc/44/96/19/634449619.db2.gz TYHDKZWMEBDOET-VXGBXAGGSA-N 1 0 242.363 0.722 10 0 BCAERO C[C@H](C[C@@H]1CCC(=O)N1)[NH2+][C@H]1CCCC[C@H]1O ZINC000310116726 634601506 /nfs/dbraw/zinc/60/15/06/634601506.db2.gz UAQAVSNBRJRBJF-NOOOWODRSA-N 1 0 240.347 0.937 10 0 BCAERO COC(=O)c1ccc(C[NH2+][C@@H](C)[C@H](C)O)[nH]1 ZINC000336725932 635254986 /nfs/dbraw/zinc/25/49/86/635254986.db2.gz BZILFEDOUBXKQY-YUMQZZPRSA-N 1 0 226.276 0.660 10 0 BCAERO CCc1cc(-c2nc(CC[NH2+]C)no2)n(C)n1 ZINC000090127822 635433800 /nfs/dbraw/zinc/43/38/00/635433800.db2.gz OOYDHLWAPFWSRX-UHFFFAOYSA-N 1 0 235.291 0.794 10 0 BCAERO CCC[C@H]([NH3+])C(=O)NCC(=O)OC(C)C ZINC000236844587 635448952 /nfs/dbraw/zinc/44/89/52/635448952.db2.gz APNUAAKDLDTRQK-QMMMGPOBSA-N 1 0 216.281 0.182 10 0 BCAERO CN(C[C@@H]1CCCO1)[C@H](C[NH3+])C(F)(F)F ZINC000250417688 635469996 /nfs/dbraw/zinc/46/99/96/635469996.db2.gz OTWWJGBMPIFTKA-JGVFFNPUSA-N 1 0 226.242 0.987 10 0 BCAERO CC(=O)CCC(=O)N1C[C@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000310297070 635536227 /nfs/dbraw/zinc/53/62/27/635536227.db2.gz ATSIKCWNEXNJMG-VXGBXAGGSA-N 1 0 238.331 0.766 10 0 BCAERO [NH3+]C[C@@H]1CCO[C@H]1c1nc(C2CC2)no1 ZINC000399832023 635604846 /nfs/dbraw/zinc/60/48/46/635604846.db2.gz YXNKQHHXNUAHKC-JGVFFNPUSA-N 1 0 209.249 0.983 10 0 BCAERO COC[C@H](C)[NH2+]CC[C@H]1CCOC1=O ZINC000308618911 631445945 /nfs/dbraw/zinc/44/59/45/631445945.db2.gz SLNDRNWWHZLMDP-IUCAKERBSA-N 1 0 201.266 0.564 10 0 BCAERO CCN(c1cc(OC)ncn1)[C@@H]1CC[NH2+]C1 ZINC000085481347 631461961 /nfs/dbraw/zinc/46/19/61/631461961.db2.gz WHPCFLSCXALNJQ-SECBINFHSA-N 1 0 222.292 0.673 10 0 BCAERO C[C@H](CCO)[NH2+][C@@H]1CCC(=O)N[C@H]1C ZINC000308654431 631467268 /nfs/dbraw/zinc/46/72/68/631467268.db2.gz NDIGGUYXKHTHBE-HRDYMLBCSA-N 1 0 200.282 0.014 10 0 BCAERO C[C@@H](O)CCNC(=O)C[C@H]([NH3+])C(C)(C)C ZINC000129554661 631467900 /nfs/dbraw/zinc/46/79/00/631467900.db2.gz VNYHCUYFQNGLRU-BDAKNGLRSA-N 1 0 216.325 0.637 10 0 BCAERO C[C@@H](CC[NH3+])Nc1cc(N(C)C)ncn1 ZINC000258550104 631498570 /nfs/dbraw/zinc/49/85/70/631498570.db2.gz AMQBZZXWCIBUHU-QMMMGPOBSA-N 1 0 209.297 0.692 10 0 BCAERO C[NH2+][C@@H](C)CNC(=O)CC[C@H]1CCCO1 ZINC000234417589 631513937 /nfs/dbraw/zinc/51/39/37/631513937.db2.gz SBQDCDXUTZKYLR-VHSXEESVSA-N 1 0 214.309 0.670 10 0 BCAERO C[NH2+][C@@H](C)CNC(=O)c1cnn(C)c1C ZINC000234430036 631521367 /nfs/dbraw/zinc/52/13/67/631521367.db2.gz VRWFWXDNNFSVIZ-ZETCQYMHSA-N 1 0 210.281 0.066 10 0 BCAERO CCO[C@H](C)C(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000236913352 635647204 /nfs/dbraw/zinc/64/72/04/635647204.db2.gz YEDOTQVKHZVCCS-BBBLOLIVSA-N 1 0 214.309 0.655 10 0 BCAERO COC1CC([NH2+]C[C@@H](O)COC(C)C)C1 ZINC000234665902 631658911 /nfs/dbraw/zinc/65/89/11/631658911.db2.gz LLDZZRRARQQAEN-HSOILSAZSA-N 1 0 217.309 0.539 10 0 BCAERO CO[C@@H](C)CC(=O)NC[C@@H]1CC[NH2+]C1 ZINC000308891069 631714558 /nfs/dbraw/zinc/71/45/58/631714558.db2.gz WUVCFHNITORLSG-DTWKUNHWSA-N 1 0 200.282 0.137 10 0 BCAERO CC[NH2+][C@@](C)(CCn1cc(C)cn1)C(N)=O ZINC000045436475 631837810 /nfs/dbraw/zinc/83/78/10/631837810.db2.gz XHRVYVOPKBITRU-NSHDSACASA-N 1 0 224.308 0.435 10 0 BCAERO C[NH2+]C1(C(=O)N[C@H]2CCC[C@@H](O)C2)CCC1 ZINC000309282665 631992711 /nfs/dbraw/zinc/99/27/11/631992711.db2.gz UDSFNDMVUACLMJ-VHSXEESVSA-N 1 0 226.320 0.548 10 0 BCAERO Cc1cc(C)nc(N2C[C@@H](C)[C@@H]([NH3+])C2)n1 ZINC000235385807 632029863 /nfs/dbraw/zinc/02/98/63/632029863.db2.gz SUXOHFVGCOKNRI-XCBNKYQSSA-N 1 0 206.293 0.877 10 0 BCAERO C[NH2+][C@](C)(Cn1nc(C)c(Cl)c1C)C(N)=O ZINC000050588211 632031306 /nfs/dbraw/zinc/03/13/06/632031306.db2.gz ZNWDNCCUHCWHHA-SNVBAGLBSA-N 1 0 244.726 0.617 10 0 BCAERO CCN(CC)C(=O)CN[C@@H]1CCC[NH2+]CC1 ZINC000161552647 632080739 /nfs/dbraw/zinc/08/07/39/632080739.db2.gz AYSRDMZONSYGEE-LLVKDONJSA-N 1 0 227.352 0.587 10 0 BCAERO Cn1ccc(C[NH2+]C(C)(C)CO)cc1=O ZINC000308887725 632085624 /nfs/dbraw/zinc/08/56/24/632085624.db2.gz UTFGESNUGVTSAY-UHFFFAOYSA-N 1 0 210.277 0.246 10 0 BCAERO C[C@@H]1CN([C@H]2CCC[NH2+]C2)S(=O)(=O)C1 ZINC000251809459 635707429 /nfs/dbraw/zinc/70/74/29/635707429.db2.gz OJRGKMWOTNYAOZ-BDAKNGLRSA-N 1 0 218.322 0.020 10 0 BCAERO C[C@]1(C(=O)NC[C@H](O)C(F)(F)F)CC[NH2+]C1 ZINC000226320729 635728574 /nfs/dbraw/zinc/72/85/74/635728574.db2.gz HSJOBOMZIOCNEC-XPUUQOCRSA-N 1 0 240.225 0.025 10 0 BCAERO CC(C)OC[C@H](O)CN1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000310375210 635764768 /nfs/dbraw/zinc/76/47/68/635764768.db2.gz ZLUFMNGAYBAYOT-JHJVBQTASA-N 1 0 242.363 0.456 10 0 BCAERO COC[C@H](C)C(=O)N[C@@](C)(C[NH3+])C(C)C ZINC000237233523 635787799 /nfs/dbraw/zinc/78/77/99/635787799.db2.gz FTKXMBLQMTYQSN-ONGXEEELSA-N 1 0 216.325 0.759 10 0 BCAERO CCC1(C(=O)NC[C@H]2CC[NH2+]C2)COC1 ZINC000309515600 632435376 /nfs/dbraw/zinc/43/53/76/632435376.db2.gz RHDYLWOWXKLGJZ-VIFPVBQESA-N 1 0 212.293 0.139 10 0 BCAERO CC1(C(=O)N2CCO[C@H]3CCCC[C@@H]32)C[NH2+]C1 ZINC000335565072 632499511 /nfs/dbraw/zinc/49/95/11/632499511.db2.gz NAFRCURYWVPAGT-QWRGUYRKSA-N 1 0 238.331 0.766 10 0 BCAERO CC[C@@](C)(O)C[N@@H+]1CCN(C)[C@@H](C)C1 ZINC000229391905 632559477 /nfs/dbraw/zinc/55/94/77/632559477.db2.gz BXXBWAOLZFAVOT-WDEREUQCSA-N 1 0 200.326 0.783 10 0 BCAERO CCOC(=O)[C@H]1C[NH2+]C[C@@H]1C1CCOCC1 ZINC000229222753 632531594 /nfs/dbraw/zinc/53/15/94/632531594.db2.gz OBRBLOHTGVNYMY-MNOVXSKESA-N 1 0 227.304 0.812 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)[C@H]1CCCOC1 ZINC000250653969 632544564 /nfs/dbraw/zinc/54/45/64/632544564.db2.gz NGRWERVGLRRXBV-GARJFASQSA-N 1 0 226.320 0.657 10 0 BCAERO C[C@@H]1CN(C(=O)C(F)F)C[C@@H]1[NH+](C)C ZINC000235262857 632591495 /nfs/dbraw/zinc/59/14/95/632591495.db2.gz ZXIJOBRWJRUTTB-RQJHMYQMSA-N 1 0 206.236 0.660 10 0 BCAERO C[C@@H]1CN(C(=O)C(F)F)C[C@H]1[NH+](C)C ZINC000235263046 632592119 /nfs/dbraw/zinc/59/21/19/632592119.db2.gz ZXIJOBRWJRUTTB-RNFRBKRXSA-N 1 0 206.236 0.660 10 0 BCAERO CC[N@@H+]1C[C@H](C)[C@H](NCc2cnn(C)n2)C1 ZINC000309655773 632622429 /nfs/dbraw/zinc/62/24/29/632622429.db2.gz PSBXZIYBMQEGAE-GXSJLCMTSA-N 1 0 223.324 0.245 10 0 BCAERO C[C@@H]1CN(c2ccnc(N(C)C)n2)[C@@H](C)C[NH2+]1 ZINC000086471379 632650441 /nfs/dbraw/zinc/65/04/41/632650441.db2.gz BZJCDDQCDJVIIA-ZJUUUORDSA-N 1 0 235.335 0.729 10 0 BCAERO C[C@@]1(C[NH3+])CCN(c2nccn3cnnc23)C1 ZINC000235416737 632716337 /nfs/dbraw/zinc/71/63/37/632716337.db2.gz RXFVOCURFNMVJF-NSHDSACASA-N 1 0 232.291 0.299 10 0 BCAERO Cc1cnc(N2CC[C@@](C)(C[NH3+])C2)nc1 ZINC000235969796 632750651 /nfs/dbraw/zinc/75/06/51/632750651.db2.gz CQDFXZCTMUWEPG-NSHDSACASA-N 1 0 206.293 0.960 10 0 BCAERO C[C@H](C[C@@H]1CCC(=O)N1)[NH2+][C@@H]1CCO[C@@H]1C ZINC000309261021 632854971 /nfs/dbraw/zinc/85/49/71/632854971.db2.gz QGQMMPRWVLDYBS-CHWFTXMASA-N 1 0 226.320 0.811 10 0 BCAERO COC(=O)/C(C)=C/C[N@@H+]1CC[C@H](CCO)C1 ZINC000162056875 632886844 /nfs/dbraw/zinc/88/68/44/632886844.db2.gz PCHYMHLWMGDTAF-JNZVDCKRSA-N 1 0 227.304 0.810 10 0 BCAERO [NH3+]CC1(OCCO)Cc2ccccc2C1 ZINC000236238590 632903432 /nfs/dbraw/zinc/90/34/32/632903432.db2.gz FVPSGAGDFRXSEF-UHFFFAOYSA-N 1 0 207.273 0.492 10 0 BCAERO Cn1ncc(C[NH2+][C@@H]2CCCC[C@H]2CO)n1 ZINC000309302219 632915912 /nfs/dbraw/zinc/91/59/12/632915912.db2.gz YULBCIIOIGLXMD-GXSJLCMTSA-N 1 0 224.308 0.456 10 0 BCAERO Cc1cc(NC(=O)C[NH2+]C(C)(C)CO)on1 ZINC000066609269 632956337 /nfs/dbraw/zinc/95/63/37/632956337.db2.gz KSYDOSBAJZWUPJ-UHFFFAOYSA-N 1 0 227.264 0.282 10 0 BCAERO C[C@@H]1[NH2+]CCC[C@H]1Nc1nccn2cnnc12 ZINC000229607664 632982233 /nfs/dbraw/zinc/98/22/33/632982233.db2.gz DJJKKGMAQVIIIR-DTWKUNHWSA-N 1 0 232.291 0.677 10 0 BCAERO CC(C)C[NH+]1CCN([C@H]2CC[C@@H]2O)CC1 ZINC000704061123 633046664 /nfs/dbraw/zinc/04/66/64/633046664.db2.gz SEUYCRASACSKSF-RYUDHWBXSA-N 1 0 212.337 0.783 10 0 BCAERO CSCC[C@@H]([NH3+])C(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000163571722 633059413 /nfs/dbraw/zinc/05/94/13/633059413.db2.gz HQYGPUWMVVIVGL-OPRDCNLKSA-N 1 0 246.376 0.703 10 0 BCAERO C[C@@H]([NH2+]C(C)(C)CO)C(=O)Nc1nccs1 ZINC000309583500 633206932 /nfs/dbraw/zinc/20/69/32/633206932.db2.gz RBHSAWXUSJEWEY-SSDOTTSWSA-N 1 0 243.332 0.831 10 0 BCAERO C/C=C/C(=O)N1C[C@@H]2CC[N@H+](C)C[C@H]2C1 ZINC000306451868 635966862 /nfs/dbraw/zinc/96/68/62/635966862.db2.gz WSQCKDLDVNUVTF-SEUFLZDSSA-N 1 0 208.305 0.973 10 0 BCAERO CCOC(=O)[C@@H](C)NC(=O)[C@H]1CCC[NH2+]C1 ZINC000049375224 636079210 /nfs/dbraw/zinc/07/92/10/636079210.db2.gz OZRNUKFXGFGYNI-BDAKNGLRSA-N 1 0 228.292 0.054 10 0 BCAERO CC(C)(C)OC(=O)N1CC[C@H]1C(=[NH2+])NO ZINC000950757593 636082016 /nfs/dbraw/zinc/08/20/16/636082016.db2.gz ZTGKWLYZJNXEJX-LURJTMIESA-N 1 0 215.253 0.952 10 0 BCAERO C[C@@H](O)CCNC(=O)[C@@H]([NH3+])CC1CC1 ZINC000308472577 633728993 /nfs/dbraw/zinc/72/89/93/633728993.db2.gz JXBWNCFPFAHENO-APPZFPTMSA-N 1 0 200.282 0.001 10 0 BCAERO CON1CCC([NH2+][C@H]2CCC[C@@H](O)C2)CC1 ZINC000323383749 633768077 /nfs/dbraw/zinc/76/80/77/633768077.db2.gz PYPRIPAXNVKGHV-NWDGAFQWSA-N 1 0 228.336 0.905 10 0 BCAERO CC[C@]1([NH2+]C[C@H]2CNC(=O)O2)CCOC1 ZINC000309228809 633870102 /nfs/dbraw/zinc/87/01/02/633870102.db2.gz WJSKMGFPIRRWSG-SCZZXKLOSA-N 1 0 214.265 0.254 10 0 BCAERO C[C@H](NC(=O)C1CC[NH2+]CC1)[C@@H]1CCCO1 ZINC000035735000 634079290 /nfs/dbraw/zinc/07/92/90/634079290.db2.gz JSVZLTWYCUBRNX-ONGXEEELSA-N 1 0 226.320 0.670 10 0 BCAERO CCCCOC(=O)CN1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000310309334 634113118 /nfs/dbraw/zinc/11/31/18/634113118.db2.gz DJFMMEOTFNNHQH-SDDRHHMPSA-N 1 0 240.347 0.999 10 0 BCAERO COC(=O)[C@H]1C[N@H+](CCn2cncn2)C[C@@H]1C ZINC000310353419 634130799 /nfs/dbraw/zinc/13/07/99/634130799.db2.gz HOHZAYWWHNFWAG-UWVGGRQHSA-N 1 0 238.291 0.019 10 0 BCAERO COC[C@@H]([NH3+])C(=O)NC[C@@H](C)C(C)(C)C ZINC000162744105 634333104 /nfs/dbraw/zinc/33/31/04/634333104.db2.gz JJOAPXJZWAESJZ-RKDXNWHRSA-N 1 0 216.325 0.759 10 0 BCAERO C[C@@H]1C(=O)NCCC[N@H+]1C[C@@H]1CCC=CO1 ZINC000194848799 634336812 /nfs/dbraw/zinc/33/68/12/634336812.db2.gz LKBJRDALEMUDKN-MNOVXSKESA-N 1 0 224.304 0.890 10 0 BCAERO Cc1nc(N2C[C@@H](C)[C@H]([NH+](C)C)C2)cc(=O)[nH]1 ZINC000162890641 635154806 /nfs/dbraw/zinc/15/48/06/635154806.db2.gz LBWHACUAAUVBSB-PSASIEDQSA-N 1 0 236.319 0.877 10 0 BCAERO COC[C@H](C)C(=O)NCC1=CC[NH2+]CC1 ZINC000186362226 635162029 /nfs/dbraw/zinc/16/20/29/635162029.db2.gz UVYHRLCBYKQCKL-VIFPVBQESA-N 1 0 212.293 0.305 10 0 BCAERO O=C1NCCC[C@@H]1[NH2+][C@@H]1CCCc2n[nH]cc21 ZINC000336519782 635170734 /nfs/dbraw/zinc/17/07/34/635170734.db2.gz QBFBSHPXFXKKIQ-KOLCDFICSA-N 1 0 234.303 0.655 10 0 BCAERO C[C@@H]([NH3+])CN(C)c1cc(N(C)C)ncn1 ZINC000258602413 635171733 /nfs/dbraw/zinc/17/17/33/635171733.db2.gz BEIKKMKODBVBQN-MRVPVSSYSA-N 1 0 209.297 0.326 10 0 BCAERO [NH3+]C1CC(C(=O)NCc2ccncc2)C1 ZINC000258835172 635210205 /nfs/dbraw/zinc/21/02/05/635210205.db2.gz WHZSRZKQOZINQJ-UHFFFAOYSA-N 1 0 205.261 0.435 10 0 BCAERO CN(Cc1ccc(F)cc1)C(=O)[C@@H]([NH3+])CO ZINC000258994370 635230936 /nfs/dbraw/zinc/23/09/36/635230936.db2.gz QPKCAZSZQJIYSQ-JTQLQIEISA-N 1 0 226.251 0.104 10 0 BCAERO CN(Cc1cccc(F)c1)C(=O)[C@@H]([NH3+])CO ZINC000259107104 635241924 /nfs/dbraw/zinc/24/19/24/635241924.db2.gz ZXBAQHMARIEPFX-JTQLQIEISA-N 1 0 226.251 0.104 10 0 BCAERO COC(=O)c1ccc(C[NH2+][C@@H](C)[C@@H](C)O)[nH]1 ZINC000336725927 635256411 /nfs/dbraw/zinc/25/64/11/635256411.db2.gz BZILFEDOUBXKQY-JGVFFNPUSA-N 1 0 226.276 0.660 10 0 BCAERO COC[C@H]1C[NH2+]CCN1C[C@@H]1CCCO1 ZINC000259254780 635258291 /nfs/dbraw/zinc/25/82/91/635258291.db2.gz QWOUZMNJXKTTAS-MNOVXSKESA-N 1 0 214.309 0.086 10 0 BCAERO C[NH2+][C@H](C)C(=O)NC[C@H](O)c1ccccc1 ZINC000054072119 635344477 /nfs/dbraw/zinc/34/44/77/635344477.db2.gz XRVUOYRNECRSAG-KOLCDFICSA-N 1 0 222.288 0.444 10 0 BCAERO C[NH2+][C@H](C)C(=O)Nc1ccc(-n2nccn2)cc1 ZINC000054072833 635346204 /nfs/dbraw/zinc/34/62/04/635346204.db2.gz YCHUOPVNQUDZIP-SECBINFHSA-N 1 0 245.286 0.814 10 0 BCAERO CC(C)C[C@@H](O)CNC(=O)[C@@]1(C)CCC[NH2+]1 ZINC000227430169 635448454 /nfs/dbraw/zinc/44/84/54/635448454.db2.gz XPZKSZNFJNKEKL-ZYHUDNBSSA-N 1 0 228.336 0.652 10 0 BCAERO O[C@H]1C[NH2+][C@@H](c2nc(CC3CCC3)no2)C1 ZINC000304564448 635943123 /nfs/dbraw/zinc/94/31/23/635943123.db2.gz HDZUQOWUTCVLRC-RKDXNWHRSA-N 1 0 223.276 0.808 10 0 BCAERO C[C@@H]1COCCN1C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054290830 636339124 /nfs/dbraw/zinc/33/91/24/636339124.db2.gz MWUFISZYDURCEO-MNOVXSKESA-N 1 0 226.320 0.623 10 0 BCAERO CCCC(=O)N(C)C1(C[NH3+])CCOCC1 ZINC000675054290 636367888 /nfs/dbraw/zinc/36/78/88/636367888.db2.gz RAFQTMAVMYKJNW-UHFFFAOYSA-N 1 0 214.309 0.753 10 0 BCAERO c1nc2c(c(NC[C@@H]3COCC[NH2+]3)n1)CCC2 ZINC000232557549 636616918 /nfs/dbraw/zinc/61/69/18/636616918.db2.gz HAPAYYVRCCBCQY-SECBINFHSA-N 1 0 234.303 0.366 10 0 BCAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]CCn1ccccc1=O ZINC000392957488 636624893 /nfs/dbraw/zinc/62/48/93/636624893.db2.gz HLWGJJNGKBLKIC-WDEREUQCSA-N 1 0 249.314 0.105 10 0 BCAERO CC(C)CNC(=O)C[NH2+]C(C)(C)CO ZINC000035102023 636741649 /nfs/dbraw/zinc/74/16/49/636741649.db2.gz OOFAXOWFUCYOTE-UHFFFAOYSA-N 1 0 202.298 0.119 10 0 BCAERO C[C@@H]([NH2+]C(C)(C)CO)C(=O)NC1CCCC1 ZINC000035102114 636742846 /nfs/dbraw/zinc/74/28/46/636742846.db2.gz WOVWYRZLXGQHNP-SECBINFHSA-N 1 0 228.336 0.794 10 0 BCAERO COc1cc(N2CCC[C@@H](C[NH3+])C2)ncn1 ZINC000085481201 636877083 /nfs/dbraw/zinc/87/70/83/636877083.db2.gz MASHXNXFAZFOBB-VIFPVBQESA-N 1 0 222.292 0.660 10 0 BCAERO Nc1cc[nH+]cc1C(=O)N[C@@H]1CCCOC1 ZINC000088112828 636896843 /nfs/dbraw/zinc/89/68/43/636896843.db2.gz BRLJBMKMVFVRCG-MRVPVSSYSA-N 1 0 221.260 0.573 10 0 BCAERO CON1CCC([NH2+][C@@H]2CCC[C@@H](O)C2)CC1 ZINC000323383752 636925434 /nfs/dbraw/zinc/92/54/34/636925434.db2.gz PYPRIPAXNVKGHV-VXGBXAGGSA-N 1 0 228.336 0.905 10 0 BCAERO CC(C)OCCNC(=O)[C@H]1CCC[NH2+]C1 ZINC000159134597 637230907 /nfs/dbraw/zinc/23/09/07/637230907.db2.gz VXHQGQFLKAEBQX-JTQLQIEISA-N 1 0 214.309 0.527 10 0 BCAERO CCN(CC[NH3+])c1cncc(Cl)n1 ZINC000165947579 638591912 /nfs/dbraw/zinc/59/19/12/638591912.db2.gz XRUFOTOOMDDLQO-UHFFFAOYSA-N 1 0 200.673 0.915 10 0 BCAERO CSCC[C@@H]([NH3+])C(=O)N[C@@H]1CCC[C@H](O)C1 ZINC000163589508 639251233 /nfs/dbraw/zinc/25/12/33/639251233.db2.gz BFTDBYOAVMVIMK-KXUCPTDWSA-N 1 0 246.376 0.487 10 0 BCAERO CCCc1nc([C@H]2C[C@@H](OC)C[NH2+]2)n(C)n1 ZINC000054697528 640303457 /nfs/dbraw/zinc/30/34/57/640303457.db2.gz HSHIWUGYCRBHCP-RKDXNWHRSA-N 1 0 224.308 0.817 10 0 BCAERO CCCc1nc([C@@H]2C[C@H](OC)C[NH2+]2)n(C)n1 ZINC000054697522 640303483 /nfs/dbraw/zinc/30/34/83/640303483.db2.gz HSHIWUGYCRBHCP-IUCAKERBSA-N 1 0 224.308 0.817 10 0 BCAERO CO[C@@H]1C[NH2+][C@@H](c2nc(C(C)C)nn2C)C1 ZINC000054697853 640305581 /nfs/dbraw/zinc/30/55/81/640305581.db2.gz CRJYDZXQWYBBME-DTWKUNHWSA-N 1 0 224.308 0.988 10 0 BCAERO Cn1nc(C(C)(C)C)nc1[C@H]1C[NH2+]CCO1 ZINC000054698829 640319320 /nfs/dbraw/zinc/31/93/20/640319320.db2.gz QUZXTASCEDCXDF-MRVPVSSYSA-N 1 0 224.308 0.774 10 0 BCAERO CCN1CCC[C@H]([NH2+]Cc2cnc[nH]2)C1 ZINC000054765156 640408362 /nfs/dbraw/zinc/40/83/62/640408362.db2.gz CUNXHAFKJXEFLU-JTQLQIEISA-N 1 0 208.309 0.984 10 0 BCAERO CCN1CCC[C@@H]([NH2+]Cc2cnc[nH]2)C1 ZINC000054765157 640409275 /nfs/dbraw/zinc/40/92/75/640409275.db2.gz CUNXHAFKJXEFLU-SNVBAGLBSA-N 1 0 208.309 0.984 10 0 BCAERO C[C@@H]1C[C@@H]1c1noc([C@H]2C[C@@H](O)C[NH2+]2)n1 ZINC000163753646 640415692 /nfs/dbraw/zinc/41/56/92/640415692.db2.gz YBWCCKXBWWXLQN-OOJXKGFFSA-N 1 0 209.249 0.588 10 0 BCAERO Cc1cnn(CC[NH2+]Cc2cnc[nH]2)c1 ZINC000163925898 640429250 /nfs/dbraw/zinc/42/92/50/640429250.db2.gz DRGNIBIKXUDLTP-UHFFFAOYSA-N 1 0 205.265 0.704 10 0 BCAERO CC[NH2+]CC(=O)N1CCCC[C@H]1C(=O)OC ZINC000044650053 640445045 /nfs/dbraw/zinc/44/50/45/640445045.db2.gz MBMKMYPXMXBFQZ-VIFPVBQESA-N 1 0 228.292 0.150 10 0 BCAERO C[C@H](C[NH3+])C(=O)N[C@@H](C)[C@@H]1CCCO1 ZINC000044801324 640463889 /nfs/dbraw/zinc/46/38/89/640463889.db2.gz FSXXASCFHCGNQR-VGMNWLOBSA-N 1 0 200.282 0.265 10 0 BCAERO CONC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000156665809 640479407 /nfs/dbraw/zinc/47/94/07/640479407.db2.gz MPZYJQGWMNCXLK-IUCAKERBSA-N 1 0 215.297 0.576 10 0 BCAERO Cc1ccc(C(=O)N2CCC[C@H]([NH3+])C2)c(=O)[nH]1 ZINC000156664225 640479747 /nfs/dbraw/zinc/47/97/47/640479747.db2.gz JUBJNDKBGKXWHB-VIFPVBQESA-N 1 0 235.287 0.247 10 0 BCAERO CC[NH2+][C@@](C)(Cn1nc(C)cc1C)C(N)=O ZINC000045433729 640556960 /nfs/dbraw/zinc/55/69/60/640556960.db2.gz JHCMZHGFKAYOMZ-NSHDSACASA-N 1 0 224.308 0.353 10 0 BCAERO C[NH2+][C@](C)(CCCCn1ccnc1)C(N)=O ZINC000045431691 640557207 /nfs/dbraw/zinc/55/72/07/640557207.db2.gz STAVYHGKGLTSGE-LLVKDONJSA-N 1 0 224.308 0.517 10 0 BCAERO C[NH2+][C@@](C)(Cn1ccnc1C(C)C)C(N)=O ZINC000045430600 640557328 /nfs/dbraw/zinc/55/73/28/640557328.db2.gz UTUPGQWEXIWGAH-NSHDSACASA-N 1 0 224.308 0.470 10 0 BCAERO CCC[NH2+][C@@](C)(Cn1ccnc1C)C(N)=O ZINC000045433006 640557676 /nfs/dbraw/zinc/55/76/76/640557676.db2.gz DHPGNWOWWSIBDG-NSHDSACASA-N 1 0 224.308 0.435 10 0 BCAERO CCC[NH2+][C@@H](Cn1nc(C)cc1C)C(N)=O ZINC000045433594 640557771 /nfs/dbraw/zinc/55/77/71/640557771.db2.gz WGOWTLNVFIOBGX-JTQLQIEISA-N 1 0 224.308 0.353 10 0 BCAERO CCOC(=O)[C@](C)([NH3+])CCn1ccnc1C ZINC000045433082 640557875 /nfs/dbraw/zinc/55/78/75/640557875.db2.gz RDLNLPDUDWZQSH-LLVKDONJSA-N 1 0 225.292 0.862 10 0 BCAERO CC[NH2+][C@@](C)(CCn1cc(Cl)cn1)C(N)=O ZINC000045437003 640560232 /nfs/dbraw/zinc/56/02/32/640560232.db2.gz VIGPNKZFLWCVFA-JTQLQIEISA-N 1 0 244.726 0.780 10 0 BCAERO C[C@@](Cn1cc(Cl)cn1)([NH2+]C1CC1)C(N)=O ZINC000045436951 640560365 /nfs/dbraw/zinc/56/03/65/640560365.db2.gz ITLPJGKVDLINPX-JTQLQIEISA-N 1 0 242.710 0.533 10 0 BCAERO CCc1c(C)nn(C[C@](C)([NH3+])C(N)=O)c1C ZINC000045459106 640564479 /nfs/dbraw/zinc/56/44/79/640564479.db2.gz SSHBOUOXHRHRQY-NSHDSACASA-N 1 0 224.308 0.265 10 0 BCAERO CC(C)[NH2+]CCC(=O)NC[C@H](O)C(F)(F)F ZINC000225390432 640689810 /nfs/dbraw/zinc/68/98/10/640689810.db2.gz WETHQRIQKDZFER-ZETCQYMHSA-N 1 0 242.241 0.414 10 0 BCAERO CC[C@H]1CC[NH2+][C@H](CC(=O)C(=O)OC)C1 ZINC000167561696 640731649 /nfs/dbraw/zinc/73/16/49/640731649.db2.gz JILHGCKRJOBZDQ-IUCAKERBSA-N 1 0 213.277 0.897 10 0 BCAERO C[NH2+]C[C@@H]1CCCCN1C[C@@H](O)COC(C)C ZINC000226127100 640732973 /nfs/dbraw/zinc/73/29/73/640732973.db2.gz AFQCDJYKHBOUOK-QWHCGFSZSA-N 1 0 244.379 0.846 10 0 BCAERO C[C@H]1C[N@@H+]([C@@H]2CCCC[C@H]2O)CCN1C ZINC000226247409 640742602 /nfs/dbraw/zinc/74/26/02/640742602.db2.gz VQIKBDAGQVTTOY-QJPTWQEYSA-N 1 0 212.337 0.926 10 0 BCAERO CC[NH2+]CC(=O)N1CCC([C@H](C)O)CC1 ZINC000226332611 640748093 /nfs/dbraw/zinc/74/80/93/640748093.db2.gz WXFOFJUGXJTCBU-VIFPVBQESA-N 1 0 214.309 0.215 10 0 BCAERO [NH3+]C1(CC(=O)NC[C@H](O)C(F)(F)F)CCC1 ZINC000226321339 640748210 /nfs/dbraw/zinc/74/82/10/640748210.db2.gz WEUVHWNWARAMPZ-LURJTMIESA-N 1 0 240.225 0.297 10 0 BCAERO CC(C)([NH3+])CC(=O)NC[C@H](O)C(F)(F)F ZINC000226320741 640748370 /nfs/dbraw/zinc/74/83/70/640748370.db2.gz IDQFQKXMOHKLCJ-YFKPBYRVSA-N 1 0 228.214 0.153 10 0 BCAERO CC[C@](C)(O)C[N@@H+]1C[C@H](C)[C@H](C(=O)OC)C1 ZINC000168128383 640785561 /nfs/dbraw/zinc/78/55/61/640785561.db2.gz KAPXDNULUMIFOC-UMNHJUIQSA-N 1 0 229.320 0.888 10 0 BCAERO CN1CCO[C@H](C[NH2+][C@@H]2CCc3cccnc32)C1 ZINC000226824021 640795921 /nfs/dbraw/zinc/79/59/21/640795921.db2.gz GNNKQIIXYBQPHA-CHWSQXEVSA-N 1 0 247.342 0.989 10 0 BCAERO OCCCCCC[N@@H+]1CCO[C@@H](CO)C1 ZINC000226839783 640802500 /nfs/dbraw/zinc/80/25/00/640802500.db2.gz VBXFSBXVEWCJDX-LLVKDONJSA-N 1 0 217.309 0.232 10 0 BCAERO CC(C)OC[C@H](O)CN1CCC[C@@H]1C[NH3+] ZINC000168933261 640833222 /nfs/dbraw/zinc/83/32/22/640833222.db2.gz WGXASWAASUYBLT-GHMZBOCLSA-N 1 0 216.325 0.195 10 0 BCAERO COC(=O)[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(C)C)C[C@@H]1C ZINC000227807012 640848994 /nfs/dbraw/zinc/84/89/94/640848994.db2.gz ZSFSZOAUPQIGMZ-LPEHRKFASA-N 1 0 242.319 0.204 10 0 BCAERO CCCCOC[C@H](O)CN1CCC[NH2+]CC1 ZINC000227882982 640851723 /nfs/dbraw/zinc/85/17/23/640851723.db2.gz RXOZMCCJNJQQKN-GFCCVEGCSA-N 1 0 230.352 0.459 10 0 BCAERO CCCCOC[C@@H](O)CN1CCC[C@@H]([NH2+]C)C1 ZINC000227883223 640852115 /nfs/dbraw/zinc/85/21/15/640852115.db2.gz KQLFHJJYTLEPQY-OLZOCXBDSA-N 1 0 244.379 0.848 10 0 BCAERO CCCCOC[C@H](O)CN1[C@H](C)C[NH2+]C[C@@H]1C ZINC000227910570 640853313 /nfs/dbraw/zinc/85/33/13/640853313.db2.gz BIIIQWMSMOWIFC-FRRDWIJNSA-N 1 0 244.379 0.846 10 0 BCAERO CCCCOC[C@H](O)Cn1cc([C@H](C)[NH3+])nn1 ZINC000227913689 640853373 /nfs/dbraw/zinc/85/33/73/640853373.db2.gz HOGWNMVUNGOLRZ-VHSXEESVSA-N 1 0 242.323 0.475 10 0 BCAERO CCCCOC[C@@H](O)Cn1cc([C@H](C)[NH3+])nn1 ZINC000227913684 640853386 /nfs/dbraw/zinc/85/33/86/640853386.db2.gz HOGWNMVUNGOLRZ-UWVGGRQHSA-N 1 0 242.323 0.475 10 0 BCAERO CCCCOC[C@H](O)CN1CC[C@@H]([NH2+]C)C1 ZINC000227911388 640853551 /nfs/dbraw/zinc/85/35/51/640853551.db2.gz COHJAQAAQZQVED-VXGBXAGGSA-N 1 0 230.352 0.458 10 0 BCAERO CCCCOC[C@@H](O)CN(C)[C@@H](C[NH3+])C1CC1 ZINC000227911627 640854180 /nfs/dbraw/zinc/85/41/80/640854180.db2.gz UQJSAVUVXPKOGM-STQMWFEESA-N 1 0 244.379 0.833 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N[C@H](C)CCSC ZINC000228945969 640906314 /nfs/dbraw/zinc/90/63/14/640906314.db2.gz IIIMCXFEZNBUKI-HTQZYQBOSA-N 1 0 220.338 0.218 10 0 BCAERO COC(=O)[C@@H]1C[NH2+]C[C@]12CCCOCC2 ZINC000229202756 640931868 /nfs/dbraw/zinc/93/18/68/640931868.db2.gz RTEVQKMBRRQCPR-GXSJLCMTSA-N 1 0 213.277 0.566 10 0 BCAERO CCOC(=O)[C@H]1C[NH2+]C[C@@]12CCCOC2 ZINC000229214906 640933715 /nfs/dbraw/zinc/93/37/15/640933715.db2.gz BLQCAFFKJVRZGR-MWLCHTKSSA-N 1 0 213.277 0.566 10 0 BCAERO COC(=O)[C@@H]1C[NH2+]C[C@H]1[C@@H]1CCCOC1 ZINC000229209793 640934463 /nfs/dbraw/zinc/93/44/63/640934463.db2.gz HPQGOLIUAWXMME-KXUCPTDWSA-N 1 0 213.277 0.422 10 0 BCAERO CCOC(=O)[C@H]1C[NH2+]C[C@]12CCCOCC2 ZINC000229213511 640934552 /nfs/dbraw/zinc/93/45/52/640934552.db2.gz ZOHPWOOOJUTCLD-ZYHUDNBSSA-N 1 0 227.304 0.956 10 0 BCAERO CCOC(=O)/C=C/C[NH2+][C@H](C)COC ZINC000087638349 640952721 /nfs/dbraw/zinc/95/27/21/640952721.db2.gz BGCFGYVBMWWGKK-VUHVRTRXSA-N 1 0 201.266 0.730 10 0 BCAERO CC[C@](C)(O)C[NH+]1CC(O)(C(C)C)C1 ZINC000229423678 640954261 /nfs/dbraw/zinc/95/42/61/640954261.db2.gz SGYJQTYAIQECAR-JTQLQIEISA-N 1 0 201.310 0.850 10 0 BCAERO CC(C)[N@H+](C)C[C@@H](O)CN1C[C@H](C)C[C@H](O)C1 ZINC000401598982 640967030 /nfs/dbraw/zinc/96/70/30/640967030.db2.gz YGQZMLCAPAZOAJ-FRRDWIJNSA-N 1 0 244.379 0.390 10 0 BCAERO CC(C)[N@H+](C)C[C@H](O)CN1C[C@H](C)C[C@H](O)C1 ZINC000401598981 640967206 /nfs/dbraw/zinc/96/72/06/640967206.db2.gz YGQZMLCAPAZOAJ-AGIUHOORSA-N 1 0 244.379 0.390 10 0 BCAERO C[C@@H](C[NH3+])c1noc(-c2ccnn2C)n1 ZINC000061665747 640984804 /nfs/dbraw/zinc/98/48/04/640984804.db2.gz XGTIREZJNRCZCX-LURJTMIESA-N 1 0 207.237 0.532 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)C1CCOCC1 ZINC000061883825 641002932 /nfs/dbraw/zinc/00/29/32/641002932.db2.gz SETQFIPAWQONDK-QWRGUYRKSA-N 1 0 226.320 0.657 10 0 BCAERO CCS(=O)(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000061883940 641003577 /nfs/dbraw/zinc/00/35/77/641003577.db2.gz CGYIVDHUWWXTLM-HTQZYQBOSA-N 1 0 206.311 0.053 10 0 BCAERO O=C(COCC(F)(F)F)NC[C@@H]1CC[NH2+]C1 ZINC000230072980 641012908 /nfs/dbraw/zinc/01/29/08/641012908.db2.gz KIYISXFUSYXPQS-SSDOTTSWSA-N 1 0 240.225 0.291 10 0 BCAERO CCS(=O)(=O)N(C)c1cccc(C[NH3+])c1 ZINC000061950462 641013317 /nfs/dbraw/zinc/01/33/17/641013317.db2.gz RVNXNJGYBICPSR-UHFFFAOYSA-N 1 0 228.317 0.931 10 0 BCAERO C[N@H+](CCNC(=O)n1ccnc1)C1CC1 ZINC000062010788 641014799 /nfs/dbraw/zinc/01/47/99/641014799.db2.gz VSNONEXYHBRHQW-UHFFFAOYSA-N 1 0 208.265 0.535 10 0 BCAERO OCc1cnc(N2CC[N@@H+]3CCCC[C@@H]3C2)cn1 ZINC000230082503 641017888 /nfs/dbraw/zinc/01/78/88/641017888.db2.gz ICCDPRRLLJSDQQ-GFCCVEGCSA-N 1 0 248.330 0.643 10 0 BCAERO C[C@@H](NC(=O)[C@@H]1CC[NH2+]C1)[C@@H]1CCCO1 ZINC000062112850 641021908 /nfs/dbraw/zinc/02/19/08/641021908.db2.gz ZQYSGDDMOQARKB-BBBLOLIVSA-N 1 0 212.293 0.280 10 0 BCAERO CC[N@H+](CCO)C[C@@H](O)c1cccnc1 ZINC000062355427 641042025 /nfs/dbraw/zinc/04/20/25/641042025.db2.gz GKTPWBIMRTWNQR-LLVKDONJSA-N 1 0 210.277 0.429 10 0 BCAERO CC(C)c1nccn1CC[C@H]([NH3+])C(N)=O ZINC000062534371 641057377 /nfs/dbraw/zinc/05/73/77/641057377.db2.gz IYTWWRWSBCQFCK-QMMMGPOBSA-N 1 0 210.281 0.209 10 0 BCAERO CC[NH2+][C@H](CCn1ccnc1CC)C(N)=O ZINC000062537316 641059239 /nfs/dbraw/zinc/05/92/39/641059239.db2.gz PBRSWBKSSQPTNA-SECBINFHSA-N 1 0 224.308 0.299 10 0 BCAERO CC[NH2+][C@H](CCn1cc(Cl)cn1)C(N)=O ZINC000062536119 641059795 /nfs/dbraw/zinc/05/97/95/641059795.db2.gz GGKNSAGRQHQDJQ-MRVPVSSYSA-N 1 0 230.699 0.390 10 0 BCAERO CCc1nccn1CC[C@@H]([NH3+])C(=O)OC ZINC000062537418 641060397 /nfs/dbraw/zinc/06/03/97/641060397.db2.gz ILBQMAYRRZVJJM-MRVPVSSYSA-N 1 0 211.265 0.336 10 0 BCAERO CNc1cc(N2CC[C@H]([NH+](C)C)C2)ncn1 ZINC000087829106 641061076 /nfs/dbraw/zinc/06/10/76/641061076.db2.gz APPTXDGQLSXZGM-VIFPVBQESA-N 1 0 221.308 0.659 10 0 BCAERO CCCCNC(=O)[C@H](C)OC1C[NH2+]C1 ZINC000062809788 641092986 /nfs/dbraw/zinc/09/29/86/641092986.db2.gz ZOFMWJJBFPSECS-QMMMGPOBSA-N 1 0 200.282 0.280 10 0 BCAERO NC(=O)c1cccc(COC2C[NH2+]C2)c1 ZINC000062809822 641095908 /nfs/dbraw/zinc/09/59/08/641095908.db2.gz JTFOAXMHIZBJGG-UHFFFAOYSA-N 1 0 206.245 0.274 10 0 BCAERO O=C1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2CO)CCCN1 ZINC000231312641 641153462 /nfs/dbraw/zinc/15/34/62/641153462.db2.gz QHEMXIIWTWWIQX-IJLUTSLNSA-N 1 0 240.347 0.796 10 0 BCAERO [NH3+]CCN(C[C@H]1CCCO1)CC(F)(F)F ZINC000231617037 641186381 /nfs/dbraw/zinc/18/63/81/641186381.db2.gz XINKSJZOXXMTDH-MRVPVSSYSA-N 1 0 226.242 0.988 10 0 BCAERO C[C@@H]([NH2+]C[C@@H](O)CC(F)(F)F)[C@H](C)O ZINC000307935263 641193650 /nfs/dbraw/zinc/19/36/50/641193650.db2.gz DPDTVFIKEKPMPN-VQVTYTSYSA-N 1 0 215.215 0.659 10 0 BCAERO C[NH2+][C@H](C)C(=O)NC[C@@H](O)c1ccsc1 ZINC000231985038 641227550 /nfs/dbraw/zinc/22/75/50/641227550.db2.gz PBMKDMADPQJDRV-VXNVDRBHSA-N 1 0 228.317 0.506 10 0 BCAERO [NH3+]C1CC(CNC(=O)CCOCC(F)F)C1 ZINC000232351247 641266045 /nfs/dbraw/zinc/26/60/45/641266045.db2.gz BZBGNBUIASZDEA-UHFFFAOYSA-N 1 0 236.262 0.512 10 0 BCAERO c1nc2c(c(NC[C@H]3COCC[NH2+]3)n1)CCC2 ZINC000232557578 641299472 /nfs/dbraw/zinc/29/94/72/641299472.db2.gz HAPAYYVRCCBCQY-VIFPVBQESA-N 1 0 234.303 0.366 10 0 BCAERO CC(C)COCCN1C[C@H]([NH3+])[C@@H](C)C1 ZINC000232679639 641342955 /nfs/dbraw/zinc/34/29/55/641342955.db2.gz CZTDDNTWGONACU-QWRGUYRKSA-N 1 0 200.326 0.938 10 0 BCAERO CN(C[C@H]1CCCO1)C(=O)[C@H]1CCC[NH2+]C1 ZINC000042465753 641550848 /nfs/dbraw/zinc/55/08/48/641550848.db2.gz MJGRCZLEMJCRDH-WDEREUQCSA-N 1 0 226.320 0.623 10 0 BCAERO COC[C@@H](C)C(=O)N[C@@H](C[NH3+])CC(C)C ZINC000155461878 641570381 /nfs/dbraw/zinc/57/03/81/641570381.db2.gz HDNWPJFPUCGONS-NXEZZACHSA-N 1 0 216.325 0.759 10 0 BCAERO C[C@@H](NC(=O)C(C)(C)C[NH3+])[C@H]1CCCO1 ZINC000044751677 641606716 /nfs/dbraw/zinc/60/67/16/641606716.db2.gz RPTQUXGXHDRTAE-RKDXNWHRSA-N 1 0 214.309 0.655 10 0 BCAERO CC(C)[NH2+][C@@](C)(CCn1cccn1)C(N)=O ZINC000045435270 641612916 /nfs/dbraw/zinc/61/29/16/641612916.db2.gz NKCXBVCXUPLICA-NSHDSACASA-N 1 0 224.308 0.515 10 0 BCAERO CCOC(=O)[C@@](C)([NH3+])CCCn1cncn1 ZINC000045435453 641613516 /nfs/dbraw/zinc/61/35/16/641613516.db2.gz PLISTSHEYZZVAX-JTQLQIEISA-N 1 0 226.280 0.339 10 0 BCAERO COCCOCCC(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000157997844 641624372 /nfs/dbraw/zinc/62/43/72/641624372.db2.gz VBTMKWUIRCFVCC-GHMZBOCLSA-N 1 0 244.335 0.283 10 0 BCAERO CC[NH2+]CC(=O)NC[C@@H](O)C(C)(C)C ZINC000324300457 641696558 /nfs/dbraw/zinc/69/65/58/641696558.db2.gz CSSBYRMHZGKHLC-MRVPVSSYSA-N 1 0 202.298 0.119 10 0 BCAERO C[C@@H]1C[N@H+](C[C@@H](O)C2CC2)C[C@@H]1N(C)C ZINC000226094902 641714935 /nfs/dbraw/zinc/71/49/35/641714935.db2.gz TYNZDRIFAGIQAV-ADEWGFFLSA-N 1 0 212.337 0.639 10 0 BCAERO CC[NH+](CC)[C@@H](C)CNC(=O)c1[nH]nnc1C ZINC000189870529 641822703 /nfs/dbraw/zinc/82/27/03/641822703.db2.gz DNJPGTUYTLIIRY-QMMMGPOBSA-N 1 0 239.323 0.573 10 0 BCAERO CN1C[C@H](CC[NH2+]C[C@@H](O)C(C)(C)C)CC1=O ZINC000723396666 711510375 /nfs/dbraw/zinc/51/03/75/711510375.db2.gz JEWFERYABOXFNE-GHMZBOCLSA-N 1 0 242.363 0.851 10 0 BCAERO CC[C@@](C)(O)C[NH2+][C@H](C)c1nnnn1C1CC1 ZINC000191488115 641924205 /nfs/dbraw/zinc/92/42/05/641924205.db2.gz DYOWAYDESSLDKW-LDYMZIIASA-N 1 0 239.323 0.820 10 0 BCAERO C[C@@H]1CN(C(=O)C(F)(F)F)C[C@@H]1[NH+](C)C ZINC000089710304 642007131 /nfs/dbraw/zinc/00/71/31/642007131.db2.gz AVECGLLHUZIEER-RQJHMYQMSA-N 1 0 224.226 0.957 10 0 BCAERO C[C@@H](C(=O)N(C)C)n1cc(C(C)(C)[NH3+])nn1 ZINC000069679717 642408620 /nfs/dbraw/zinc/40/86/20/642408620.db2.gz NMKYHYUZHDASCK-ZETCQYMHSA-N 1 0 225.296 0.121 10 0 BCAERO CCN(c1cc(C)nc2ncnn21)[C@@H]1CC[NH2+]C1 ZINC000071314282 642456337 /nfs/dbraw/zinc/45/63/37/642456337.db2.gz DJEUXMYGGNWGPW-SNVBAGLBSA-N 1 0 246.318 0.621 10 0 BCAERO O=C(NC[C@H]1CC[NH2+]C1)[C@H]1CC1(Cl)Cl ZINC000306260543 642733850 /nfs/dbraw/zinc/73/38/50/642733850.db2.gz KHIWANLFMGMSCJ-NKWVEPMBSA-N 1 0 237.130 0.906 10 0 BCAERO C[C@@H]1C[C@H]1C(=O)N1C[C@@H](F)C[C@H]1C[NH3+] ZINC000306431319 642743113 /nfs/dbraw/zinc/74/31/13/642743113.db2.gz RGGZCXDPQFDIFH-RYPBNFRJSA-N 1 0 200.257 0.540 10 0 BCAERO CO[C@@H](C)CC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170863870 642746654 /nfs/dbraw/zinc/74/66/54/642746654.db2.gz NZJPEOCBLHLPDH-UWVGGRQHSA-N 1 0 214.309 0.574 10 0 BCAERO NC(=O)[C@H]([NH3+])CCOCc1ccccc1 ZINC000238680263 642830998 /nfs/dbraw/zinc/83/09/98/642830998.db2.gz IULAGDDXCPQQEC-SNVBAGLBSA-N 1 0 208.261 0.406 10 0 BCAERO Cc1nonc1Cn1cc(C(C)(C)[NH3+])nn1 ZINC000069795762 642909769 /nfs/dbraw/zinc/90/97/69/642909769.db2.gz CHWUIVSQCORUCO-UHFFFAOYSA-N 1 0 222.252 0.212 10 0 BCAERO c1nnc2c(NC[C@@H]3CCC[NH2+]3)nccn12 ZINC000070616645 643050467 /nfs/dbraw/zinc/05/04/67/643050467.db2.gz JCQZYGOTNIHFLO-QMMMGPOBSA-N 1 0 218.264 0.288 10 0 BCAERO CC[NH2+][C@](C)(CCn1nccc1C)C(N)=O ZINC000070687036 643060847 /nfs/dbraw/zinc/06/08/47/643060847.db2.gz XVNLPYFMZFZVLF-LLVKDONJSA-N 1 0 224.308 0.435 10 0 BCAERO CC[NH2+][C@](C)(Cn1ncc(Cl)c1C)C(N)=O ZINC000070704621 643062567 /nfs/dbraw/zinc/06/25/67/643062567.db2.gz UKHFAUNRYDVZGV-SNVBAGLBSA-N 1 0 244.726 0.698 10 0 BCAERO Cc1c(Cl)cnn1CCC[C@@](C)([NH3+])C(N)=O ZINC000070704627 643064319 /nfs/dbraw/zinc/06/43/19/643064319.db2.gz WYNPZOOBEKMNQX-SNVBAGLBSA-N 1 0 244.726 0.828 10 0 BCAERO CC(C)OC[C@@H](O)CN1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000252681959 643091318 /nfs/dbraw/zinc/09/13/18/643091318.db2.gz BHQMREDCZGDXQG-AGIUHOORSA-N 1 0 242.363 0.599 10 0 BCAERO CC(C)OC[C@H](O)CN1CCC[C@H]1C[NH3+] ZINC000252690885 643091732 /nfs/dbraw/zinc/09/17/32/643091732.db2.gz WGXASWAASUYBLT-WDEREUQCSA-N 1 0 216.325 0.195 10 0 BCAERO COC[C@H](C)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000183371586 643110571 /nfs/dbraw/zinc/11/05/71/643110571.db2.gz BMZKGRAZKYVPJQ-JTQLQIEISA-N 1 0 228.336 0.775 10 0 BCAERO CN(C[C@H]1CCCO1)C(=O)CCC[NH3+] ZINC000042465780 643130761 /nfs/dbraw/zinc/13/07/61/643130761.db2.gz ILGZEHWSDICIQH-SECBINFHSA-N 1 0 200.282 0.363 10 0 BCAERO C[NH+](C)[C@@H]1CCN(C(=O)C(F)(F)F)C1 ZINC000082277864 643292195 /nfs/dbraw/zinc/29/21/95/643292195.db2.gz YBYJLYOXNCPDAQ-ZCFIWIBFSA-N 1 0 210.199 0.711 10 0 BCAERO C[C@H](O)C1CCN(C(=O)[C@H]([NH3+])CC2CC2)CC1 ZINC000306101469 643296859 /nfs/dbraw/zinc/29/68/59/643296859.db2.gz PPEAZTMPFFFJFL-JOYOIKCWSA-N 1 0 240.347 0.733 10 0 BCAERO C(c1noc(C[C@@H]2COCC[NH2+]2)n1)C1CCC1 ZINC000306111255 643302957 /nfs/dbraw/zinc/30/29/57/643302957.db2.gz WNTFMIKQEBRQCJ-SNVBAGLBSA-N 1 0 237.303 0.943 10 0 BCAERO CCCN(CC)S(=O)(=O)C[C@H]([NH3+])C1CC1 ZINC000757149482 643334820 /nfs/dbraw/zinc/33/48/20/643334820.db2.gz CTROIQFHMVULRT-JTQLQIEISA-N 1 0 234.365 0.785 10 0 BCAERO [NH3+]C[C@H]1CCN1CCCOCC(F)(F)F ZINC000757149193 643335263 /nfs/dbraw/zinc/33/52/63/643335263.db2.gz YVLUMTGMQLALHG-MRVPVSSYSA-N 1 0 226.242 0.988 10 0 BCAERO Cc1cc(N2CC[C@@H]2C(N)=O)[nH+]cc1N ZINC000757152018 643343202 /nfs/dbraw/zinc/34/32/02/643343202.db2.gz YKKLKHSRKQHIAJ-MRVPVSSYSA-N 1 0 206.249 0.036 10 0 BCAERO CC[C@@H](C)[C@H]([NH3+])CS(=O)(=O)N(C)CC ZINC000757154485 643345926 /nfs/dbraw/zinc/34/59/26/643345926.db2.gz ZWPQUVJBCPYABC-RKDXNWHRSA-N 1 0 222.354 0.641 10 0 BCAERO C[C@]([NH3+])(CC(N)=O)[C@@H]1CCCSC1 ZINC000757154125 643346178 /nfs/dbraw/zinc/34/61/78/643346178.db2.gz CQXKJFCVGNBOGM-APPZFPTMSA-N 1 0 202.323 0.722 10 0 BCAERO [NH3+][C@H](CS(=O)(=O)N1CCCCCC1)C1CC1 ZINC000757154457 643346192 /nfs/dbraw/zinc/34/61/92/643346192.db2.gz ZNCSZNDQELFHFG-LLVKDONJSA-N 1 0 246.376 0.930 10 0 BCAERO C[C@@H]([NH3+])CN(C)c1ncnc2nc[nH]c21 ZINC000082592676 643350900 /nfs/dbraw/zinc/35/09/00/643350900.db2.gz ZLEOEEPVIAIEST-ZCFIWIBFSA-N 1 0 206.253 0.136 10 0 BCAERO C[C@@H]([NH3+])CN(C)c1ncnc2c1CCC2 ZINC000082592474 643351730 /nfs/dbraw/zinc/35/17/30/643351730.db2.gz GNZZCOFGGHGFCT-MRVPVSSYSA-N 1 0 206.293 0.749 10 0 BCAERO CC(=O)[C@@H]1CCC[N@H+](C[C@@H]2CNC(=O)O2)C1 ZINC000082644578 643360486 /nfs/dbraw/zinc/36/04/86/643360486.db2.gz AMKQROLBRAJJPJ-ZJUUUORDSA-N 1 0 226.276 0.396 10 0 BCAERO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1c1c[nH]cn1 ZINC000757190088 643361050 /nfs/dbraw/zinc/36/10/50/643361050.db2.gz PNIPYRKOYKEXHB-HTQZYQBOSA-N 1 0 209.249 0.276 10 0 BCAERO COC(=O)[C@H]1C[NH2+]C[C@@H]1c1csc(C)n1 ZINC000757191251 643362854 /nfs/dbraw/zinc/36/28/54/643362854.db2.gz SFLUFHZUZUYIPA-YUMQZZPRSA-N 1 0 226.301 0.928 10 0 BCAERO [NH3+]C[C@@H](CO)C1CCC2(CC1)OCCO2 ZINC000757192592 643365920 /nfs/dbraw/zinc/36/59/20/643365920.db2.gz ORBHWOOIEJAANG-JTQLQIEISA-N 1 0 215.293 0.487 10 0 BCAERO [NH3+]C[C@H]1CCC[C@]12CCS(=O)(=O)C2 ZINC000757196254 643366543 /nfs/dbraw/zinc/36/65/43/643366543.db2.gz UJWLKXHYUFXIKY-RKDXNWHRSA-N 1 0 203.307 0.550 10 0 BCAERO C[C@@H]1C[C@H]([C@@H]2CCC[NH2+][C@H]2C(=O)[O-])CC[NH2+]1 ZINC000757238183 643373938 /nfs/dbraw/zinc/37/39/38/643373938.db2.gz RRVVCTHGZRAXGU-CHWFTXMASA-N 1 0 226.320 0.827 10 0 BCAERO CC[NH2+][C@@](C)(C[C@@H](C)n1cccn1)C(N)=O ZINC000082800435 643382153 /nfs/dbraw/zinc/38/21/53/643382153.db2.gz BKHWMLXLGUGGBB-KOLCDFICSA-N 1 0 224.308 0.688 10 0 BCAERO CC(C)([NH3+])C(=O)NC[C@H]1CCCC[C@@H]1O ZINC000082995038 643396924 /nfs/dbraw/zinc/39/69/24/643396924.db2.gz PGJXIOAOWOXBIK-BDAKNGLRSA-N 1 0 214.309 0.391 10 0 BCAERO CN(C)c1nccc(NC[C@@H]2CCC[NH2+]2)n1 ZINC000082924368 643388635 /nfs/dbraw/zinc/38/86/35/643388635.db2.gz DJWIWYHVRZNRKM-VIFPVBQESA-N 1 0 221.308 0.707 10 0 BCAERO CC(C)([NH3+])C(=O)NC[C@@H]1CCCC[C@H]1O ZINC000082995040 643397628 /nfs/dbraw/zinc/39/76/28/643397628.db2.gz PGJXIOAOWOXBIK-DTWKUNHWSA-N 1 0 214.309 0.391 10 0 BCAERO CCS(=O)(=O)CC[NH2+]C[C@H]1CCCC[C@H]1O ZINC000082995296 643397284 /nfs/dbraw/zinc/39/72/84/643397284.db2.gz PLBHZBBFNQPNKB-GHMZBOCLSA-N 1 0 249.376 0.562 10 0 BCAERO C[C@@]1(C(=O)N[C@H]2CCCOC2)CCC[NH2+]C1 ZINC000071023494 643411099 /nfs/dbraw/zinc/41/10/99/643411099.db2.gz AWQKZLPPAXRJTC-CMPLNLGQSA-N 1 0 226.320 0.671 10 0 BCAERO C[C@]1(C(=O)N[C@H]2CCCOC2)CCC[NH2+]C1 ZINC000071023492 643411565 /nfs/dbraw/zinc/41/15/65/643411565.db2.gz AWQKZLPPAXRJTC-JQWIXIFHSA-N 1 0 226.320 0.671 10 0 BCAERO COC[C@@H](O)C[N@@H+]1CCC[C@@H](C(C)=O)C1 ZINC000068892112 643433582 /nfs/dbraw/zinc/43/35/82/643433582.db2.gz ALDAVMJMNKBMLC-MNOVXSKESA-N 1 0 215.293 0.295 10 0 BCAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)c1cnsn1 ZINC000307315967 643438889 /nfs/dbraw/zinc/43/88/89/643438889.db2.gz NAMOLKCGMKZMGD-PHDIDXHHSA-N 1 0 212.278 0.100 10 0 BCAERO C[C@H]1CCCN(C(=O)[C@@H]2CCOC2)[C@@H]1C[NH3+] ZINC000069726536 643449922 /nfs/dbraw/zinc/44/99/22/643449922.db2.gz MITCJSPMLMBQMZ-HBNTYKKESA-N 1 0 226.320 0.609 10 0 BCAERO CC[C@H]1CN(C(=O)[C@@H]2C[NH2+]C[C@H]2C)CCO1 ZINC000234079681 643452412 /nfs/dbraw/zinc/45/24/12/643452412.db2.gz JKQLYXONEJXKCO-OUAUKWLOSA-N 1 0 226.320 0.479 10 0 BCAERO Cc1ccc(O)c(C[NH2+][C@@H](C)[C@@H](C)O)n1 ZINC000336752491 643458748 /nfs/dbraw/zinc/45/87/48/643458748.db2.gz GXSQEOYGSZCCBK-DTWKUNHWSA-N 1 0 210.277 0.955 10 0 BCAERO C[NH2+][C@@](C)(C[C@H](C)n1ccnc1C)C(N)=O ZINC000082800223 643524893 /nfs/dbraw/zinc/52/48/93/643524893.db2.gz YCTJIUDWRCLFBC-KWQFWETISA-N 1 0 224.308 0.606 10 0 BCAERO Cc1cc(C)n([C@H](C)C[C@@](C)([NH3+])C(N)=O)n1 ZINC000082800286 643525730 /nfs/dbraw/zinc/52/57/30/643525730.db2.gz GIKNDOSDSCXYDZ-MWLCHTKSSA-N 1 0 224.308 0.654 10 0 BCAERO Cc1ncn([C@@H](C)C[C@](C)([NH3+])C(N)=O)c1C ZINC000082800571 643526457 /nfs/dbraw/zinc/52/64/57/643526457.db2.gz FRQBHTCMMAKIJY-CPCISQLKSA-N 1 0 224.308 0.654 10 0 BCAERO CCOC(=O)[C@]1([NH3+])CC[C@@H](n2cccn2)C1 ZINC000086626784 643635931 /nfs/dbraw/zinc/63/59/31/643635931.db2.gz AZLRIHXUHOBVFJ-KOLCDFICSA-N 1 0 223.276 0.869 10 0 BCAERO COCCNC(=O)[C@H]1CCCC[C@@H]1C[NH3+] ZINC000084301143 643657360 /nfs/dbraw/zinc/65/73/60/643657360.db2.gz DZXCVOOLYRSALC-ZJUUUORDSA-N 1 0 214.309 0.514 10 0 BCAERO COC[C@H](C)CC(=O)NCC1CC([NH3+])C1 ZINC000087438888 643658704 /nfs/dbraw/zinc/65/87/04/643658704.db2.gz YNNRJSQDFQTRJT-XNWIYYODSA-N 1 0 214.309 0.513 10 0 BCAERO C[C@@H]1COCCN1C(=O)C[C@@H]1CC[NH2+]C1 ZINC000084382023 643659548 /nfs/dbraw/zinc/65/95/48/643659548.db2.gz OICBRSDLQIBMHC-ZJUUUORDSA-N 1 0 212.293 0.233 10 0 BCAERO [NH3+]C1CC(CNC(=O)c2cccnc2)C1 ZINC000084446943 643663869 /nfs/dbraw/zinc/66/38/69/643663869.db2.gz JYTLCSOPCHHZIZ-UHFFFAOYSA-N 1 0 205.261 0.549 10 0 BCAERO COc1ccnc(NCC2CC([NH3+])C2)n1 ZINC000084447933 643664054 /nfs/dbraw/zinc/66/40/54/643664054.db2.gz LLMJBENDSABHKS-UHFFFAOYSA-N 1 0 208.265 0.634 10 0 BCAERO Nc1nc2n(n1)[C@@H]([C@H]1CCC[NH2+]C1)CCN2 ZINC000236400316 643664704 /nfs/dbraw/zinc/66/47/04/643664704.db2.gz ZXXIHURLVCKEPX-JGVFFNPUSA-N 1 0 222.296 0.217 10 0 BCAERO Nc1nc2nccc([C@H]3CCC[NH2+]C3)n2n1 ZINC000236403166 643666535 /nfs/dbraw/zinc/66/65/35/643666535.db2.gz HIBRWZWKGXXLOL-ZETCQYMHSA-N 1 0 218.264 0.174 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@H]1NS(=O)(=O)CC1CC1 ZINC000084888955 643676492 /nfs/dbraw/zinc/67/64/92/643676492.db2.gz VFZPWPDKJNVHSV-VHSXEESVSA-N 1 0 232.349 0.443 10 0 BCAERO [NH3+]Cc1cccc(C(=O)N[C@@H]2CCCNC2=O)c1 ZINC000050397185 643694809 /nfs/dbraw/zinc/69/48/09/643694809.db2.gz UWFKAQREERCXLE-LLVKDONJSA-N 1 0 247.298 0.154 10 0 BCAERO OC[C@@H](O)C[NH2+][C@@H]1CCc2c1cccc2O ZINC000085246245 643698192 /nfs/dbraw/zinc/69/81/92/643698192.db2.gz SLQNWIGISGWPDD-GZMMTYOYSA-N 1 0 223.272 0.322 10 0 BCAERO COC(CN1CC[C@@H]([NH+](C)C)C1)OC ZINC000085351518 643749440 /nfs/dbraw/zinc/74/94/40/643749440.db2.gz CWUWALFLZDNPBJ-SECBINFHSA-N 1 0 202.298 0.241 10 0 BCAERO C[C@H]1[NH2+]CCC[C@H]1NS(=O)(=O)C1CC1 ZINC000085727608 643790301 /nfs/dbraw/zinc/79/03/01/643790301.db2.gz CFWGOVVLKHWJPI-VXNVDRBHSA-N 1 0 218.322 0.209 10 0 BCAERO C[C@H]1[NH2+]CCC[C@@H]1NS(=O)(=O)C1CC1 ZINC000085727612 643790452 /nfs/dbraw/zinc/79/04/52/643790452.db2.gz CFWGOVVLKHWJPI-APPZFPTMSA-N 1 0 218.322 0.209 10 0 BCAERO COC(OC)[C@H](C)[NH2+]Cc1cnn(C)c1C ZINC000086552120 644148043 /nfs/dbraw/zinc/14/80/43/644148043.db2.gz LNJAGUGZIILXKZ-QMMMGPOBSA-N 1 0 227.308 0.826 10 0 BCAERO C[NH2+][C@@]1(C(N)=O)CCC[C@H](n2cccn2)C1 ZINC000086604666 644155394 /nfs/dbraw/zinc/15/53/94/644155394.db2.gz DKPXKOYIOJIKDJ-ONGXEEELSA-N 1 0 222.292 0.442 10 0 BCAERO C[NH2+][C@]1(C(N)=O)CCC[C@@H](n2ccnc2)C1 ZINC000086604639 644155715 /nfs/dbraw/zinc/15/57/15/644155715.db2.gz BASIGDAESFPANX-MWLCHTKSSA-N 1 0 222.292 0.442 10 0 BCAERO Cc1cc(C)n([C@@H]2CC[C@@]([NH3+])(C(N)=O)C2)n1 ZINC000086626684 644156618 /nfs/dbraw/zinc/15/66/18/644156618.db2.gz SGQYWXVPYYMZRP-KOLCDFICSA-N 1 0 222.292 0.408 10 0 BCAERO COC(=O)[C@@]1([NH3+])CC[C@H](n2ccc(C)n2)C1 ZINC000086627222 644158177 /nfs/dbraw/zinc/15/81/77/644158177.db2.gz AFLMJNVCORYJOB-GXSJLCMTSA-N 1 0 223.276 0.787 10 0 BCAERO CCN(c1nccn2cnnc12)[C@@H]1CC[NH2+]C1 ZINC000079471418 644183944 /nfs/dbraw/zinc/18/39/44/644183944.db2.gz ZXKIIBDBHFUXNF-SECBINFHSA-N 1 0 232.291 0.313 10 0 BCAERO NC(=O)[C@@H]([NH3+])Cc1ccc(Cl)s1 ZINC000083144552 644401639 /nfs/dbraw/zinc/40/16/39/644401639.db2.gz IOKJPNZVJQOUMJ-YFKPBYRVSA-N 1 0 204.682 0.757 10 0 BCAERO C[C@H](NC(=O)C[C@H]1CSCC[NH2+]1)C1CC1 ZINC000085613173 644442787 /nfs/dbraw/zinc/44/27/87/644442787.db2.gz BTNJBRSFTZHWGF-WPRPVWTQSA-N 1 0 228.361 0.996 10 0 BCAERO C[NH2+]C[C@H](C)C(=O)NC[C@@H]1CCC[C@@H]1O ZINC000086070239 644458829 /nfs/dbraw/zinc/45/88/29/644458829.db2.gz SJIDSQPVUCJTRA-GUBZILKMSA-N 1 0 214.309 0.119 10 0 BCAERO CCCc1noc(C[C@@H]2COCC[NH2+]2)n1 ZINC000087506926 644496525 /nfs/dbraw/zinc/49/65/25/644496525.db2.gz QKCIWTGGFIWLIJ-MRVPVSSYSA-N 1 0 211.265 0.553 10 0 BCAERO CC(C)NC(=O)c1nccc(C[NH3+])c1F ZINC000685946284 644518020 /nfs/dbraw/zinc/51/80/20/644518020.db2.gz NBYHNEJUJUSLCO-UHFFFAOYSA-N 1 0 211.240 0.818 10 0 BCAERO CC(C)S(=O)(=O)N1CC[C@@H]([NH3+])[C@@H](F)C1 ZINC000685946166 644518075 /nfs/dbraw/zinc/51/80/75/644518075.db2.gz LMCIAVMULBAXSR-JGVFFNPUSA-N 1 0 224.301 0.096 10 0 BCAERO c1nnn([C@H]2CC[NH2+]C2)c1-c1cccnn1 ZINC000685951890 644518465 /nfs/dbraw/zinc/51/84/65/644518465.db2.gz LHAXEZPJVNSQMJ-QMMMGPOBSA-N 1 0 216.248 0.270 10 0 BCAERO [NH3+]C[C@H]1CCC[C@H]1NC(=O)c1ccc[nH]c1=O ZINC000089091287 644533996 /nfs/dbraw/zinc/53/39/96/644533996.db2.gz AGDBROJNPFUFFF-PSASIEDQSA-N 1 0 235.287 0.232 10 0 BCAERO [NH3+]C1(C(=O)NC[C@@H]2CCC[C@@H]2O)CCCCC1 ZINC000089169777 644537584 /nfs/dbraw/zinc/53/75/84/644537584.db2.gz KNBMKYFYPYCAPC-QWRGUYRKSA-N 1 0 240.347 0.925 10 0 BCAERO [NH3+][C@H](C(=O)NC[C@@H]1CCC[C@@H]1O)c1ccccc1 ZINC000089170049 644537834 /nfs/dbraw/zinc/53/78/34/644537834.db2.gz MZZITIYTNPEZOE-AVGNSLFASA-N 1 0 248.326 0.964 10 0 BCAERO [NH3+][C@@H]1CC[C@H](C(=O)NC[C@H]2CCCC[C@@H]2O)C1 ZINC000246183353 644569545 /nfs/dbraw/zinc/56/95/45/644569545.db2.gz NNYDJGHWKHKYKG-QCNOEVLYSA-N 1 0 240.347 0.781 10 0 BCAERO C[C@H]([NH2+][C@@H]1CCC[C@H]1O)c1ccnn1C ZINC000249058355 644710642 /nfs/dbraw/zinc/71/06/42/644710642.db2.gz ZGNYQFZGTSMKDL-IQJOONFLSA-N 1 0 209.293 0.984 10 0 BCAERO NC(=O)c1ccc(N[C@H]2CCCC[C@@H]2C[NH3+])nn1 ZINC000095013528 644736846 /nfs/dbraw/zinc/73/68/46/644736846.db2.gz QYGVHJIDQIFJOU-BDAKNGLRSA-N 1 0 249.318 0.505 10 0 BCAERO C[C@H]([NH3+])CN(C)c1ccc(C(=O)N(C)C)cn1 ZINC000095014903 644737567 /nfs/dbraw/zinc/73/75/67/644737567.db2.gz NTNRSKUQFVHVSL-VIFPVBQESA-N 1 0 236.319 0.567 10 0 BCAERO CCOCC[N@@H+]1C[C@H](C)[C@H](C(=O)OC)C1 ZINC000094996653 644738150 /nfs/dbraw/zinc/73/81/50/644738150.db2.gz PQKVTVSSZXBPNW-VHSXEESVSA-N 1 0 215.293 0.764 10 0 BCAERO CCN(C[C@H](O)COC(C)C)[C@H]1CC[NH2+]C1 ZINC000249951298 644746054 /nfs/dbraw/zinc/74/60/54/644746054.db2.gz KIUVOZAYNZTOPS-RYUDHWBXSA-N 1 0 230.352 0.456 10 0 BCAERO C[NH2+][C@@H]1CCCN(C[C@H](O)COC(C)C)C1 ZINC000250581346 644766660 /nfs/dbraw/zinc/76/66/60/644766660.db2.gz JPFLFFDEZLKNCR-NEPJUHHUSA-N 1 0 230.352 0.456 10 0 BCAERO CCCC[C@H](C)[NH2+][C@@H]1CS(=O)(=O)C[C@H]1O ZINC000251264698 644799187 /nfs/dbraw/zinc/79/91/87/644799187.db2.gz CDHVVIVQHCHLLM-IVZWLZJFSA-N 1 0 235.349 0.313 10 0 BCAERO COC(=O)[C@@H]1C[N@H+](C[C@H]2CCOC2)C[C@@H]1C ZINC000251937597 644832351 /nfs/dbraw/zinc/83/23/51/644832351.db2.gz ZHYAOKVZDYGXPF-HBNTYKKESA-N 1 0 227.304 0.764 10 0 BCAERO CCOC(=O)[C@H]1CCCN(C(=[NH2+])NO)C1 ZINC000757120639 644863520 /nfs/dbraw/zinc/86/35/20/644863520.db2.gz CIFNCWDSKFWNOO-ZETCQYMHSA-N 1 0 215.253 0.175 10 0 BCAERO C[C@@H]1C[C@H]([C@H]2CC[C@@H](C(=O)[O-])[NH2+]C2)CC[NH2+]1 ZINC000757242452 644865623 /nfs/dbraw/zinc/86/56/23/644865623.db2.gz YMXSIUQDDDHVOG-ZNSHCXBVSA-N 1 0 226.320 0.827 10 0 BCAERO C[NH+]1CCN(c2cnc3cc(N)ccc3n2)CC1 ZINC000757546211 644871277 /nfs/dbraw/zinc/87/12/77/644871277.db2.gz UCDIXEJQUMNFDX-UHFFFAOYSA-N 1 0 243.314 0.964 10 0 BCAERO C[NH2+][C@@H]1CCN(C[C@H](O)COC(C)C)C1 ZINC000252685736 644878178 /nfs/dbraw/zinc/87/81/78/644878178.db2.gz IOQVNBNYBQPTOC-MNOVXSKESA-N 1 0 216.325 0.066 10 0 BCAERO [NH3+][C@H](CC1CC1)C(=O)NCC[C@@H]1CCCO1 ZINC000304299139 644889872 /nfs/dbraw/zinc/88/98/72/644889872.db2.gz AVMVIALETXYMOC-WDEREUQCSA-N 1 0 226.320 0.799 10 0 BCAERO C[C@H]([NH3+])[C@H](C)C(=O)N[C@@H]1CCO[C@H]1C ZINC000252839604 644912925 /nfs/dbraw/zinc/91/29/25/644912925.db2.gz BBEPDWOXGZMMRG-XSPKLOCKSA-N 1 0 200.282 0.263 10 0 BCAERO O[C@@H]1CCC[C@H]1[N@@H+]1CCCC2(C1)OCCO2 ZINC000134003555 645870572 /nfs/dbraw/zinc/87/05/72/645870572.db2.gz CABXOZWSMMGQJH-GHMZBOCLSA-N 1 0 227.304 0.739 10 0 BCAERO [NH3+]Cc1cn(CCSC(F)(F)F)nn1 ZINC000123716406 645920906 /nfs/dbraw/zinc/92/09/06/645920906.db2.gz PJQBWJNRZDRYSB-UHFFFAOYSA-N 1 0 226.227 0.990 10 0 BCAERO C[C@H](O)[C@@H](O)C[N@@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000929980741 646383770 /nfs/dbraw/zinc/38/37/70/646383770.db2.gz LKCGSDOYRTZQIV-DLOVCJGASA-N 1 0 239.319 0.678 10 0 BCAERO CS(=O)(=O)CC[N@@H+]1CCC[C@H]1CCCO ZINC000052761751 711637150 /nfs/dbraw/zinc/63/71/50/711637150.db2.gz FDICAXQIYFNEPB-JTQLQIEISA-N 1 0 235.349 0.268 10 0 BCAERO C[NH2+]CCc1noc([C@@H]2C[C@H](C)CO2)n1 ZINC000718429512 711657392 /nfs/dbraw/zinc/65/73/92/711657392.db2.gz UZLOJIZDBBXPSS-YUMQZZPRSA-N 1 0 211.265 0.929 10 0 BCAERO C[C@@H]([NH3+])CC(=O)N[C@H](C)[C@@H]1CCCO1 ZINC000037476265 711784257 /nfs/dbraw/zinc/78/42/57/711784257.db2.gz DCLQYKXGXZOPJF-HLTSFMKQSA-N 1 0 200.282 0.407 10 0 BCAERO CC(C)(O)[C@@H]1CC[N@@H+]([C@@H]2CCC[C@H]2O)C1 ZINC000721864527 711792102 /nfs/dbraw/zinc/79/21/02/711792102.db2.gz XXZNGCMRZOANDQ-GMTAPVOTSA-N 1 0 213.321 0.993 10 0 BCAERO COC(=O)[C@@H]1C[N@H+](C[C@@H](C)OC)C[C@@H]1C ZINC000227983291 711833168 /nfs/dbraw/zinc/83/31/68/711833168.db2.gz BMSQDBBBWBCUFP-IVZWLZJFSA-N 1 0 215.293 0.762 10 0 BCAERO C[C@@H](NC(=O)[C@@H](N)C[NH+](C)C)C1CCCC1 ZINC000702322869 712047195 /nfs/dbraw/zinc/04/71/95/712047195.db2.gz KDRQJOYWYXAIPM-KOLCDFICSA-N 1 0 227.352 0.570 10 0 BCAERO C[C@H](NCc1ncccn1)[C@H]1CC[NH2+]C1 ZINC000702346654 712046009 /nfs/dbraw/zinc/04/60/09/712046009.db2.gz RRRONIUHRFMJAN-UWVGGRQHSA-N 1 0 206.293 0.564 10 0 BCAERO C[C@H](O)[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC000705929953 712138557 /nfs/dbraw/zinc/13/85/57/712138557.db2.gz LLUZMAFWCZPPDE-QWRGUYRKSA-N 1 0 240.347 0.748 10 0 BCAERO Cc1nc(C)c(C[NH2+][C@H]2CCOC[C@H]2O)s1 ZINC000706766057 712154903 /nfs/dbraw/zinc/15/49/03/712154903.db2.gz DMJPMLSTMZJNKN-VHSXEESVSA-N 1 0 242.344 0.999 10 0 BCAERO C[C@H]([NH2+][C@@H]1CCOC[C@@H]1O)C1(Cl)CC1 ZINC000706789756 712155311 /nfs/dbraw/zinc/15/53/11/712155311.db2.gz OLOVDABOOYOLIO-YIZRAAEISA-N 1 0 219.712 0.886 10 0 BCAERO C[C@@H]1CN(C(=O)C[C@H]2CCCCO2)C[C@H]1C[NH3+] ZINC000708156010 712183387 /nfs/dbraw/zinc/18/33/87/712183387.db2.gz UCXVUAZLWJPZMD-IJLUTSLNSA-N 1 0 240.347 0.999 10 0 BCAERO CSC1CC([NH2+]C[C@H](O)CN(C)C2CC2)C1 ZINC000708272351 712184932 /nfs/dbraw/zinc/18/49/32/712184932.db2.gz AKSVTGOCRGQFCZ-ZYXZCXLHSA-N 1 0 244.404 0.925 10 0 BCAERO COC(=O)CCCC[N@@H+]1C[C@@H](C)[C@H](CO)C1 ZINC000708799254 712198585 /nfs/dbraw/zinc/19/85/85/712198585.db2.gz GTWUEBMWBXMCAX-MNOVXSKESA-N 1 0 229.320 0.890 10 0 BCAERO C[C@@H]1CN(C(=O)C(C)(F)F)C[C@@H]1C[NH3+] ZINC000708827660 712199901 /nfs/dbraw/zinc/19/99/01/712199901.db2.gz YRWLWBJXBFVOGB-RQJHMYQMSA-N 1 0 206.236 0.695 10 0 BCAERO CC1(C)C[NH2+][C@@H]1C(=O)NC[C@H](O)C(F)(F)F ZINC000710085459 712244727 /nfs/dbraw/zinc/24/47/27/712244727.db2.gz OUCAOFSOXWFGPB-NTSWFWBYSA-N 1 0 240.225 0.024 10 0 BCAERO COC1(OC)CC[C@@H]1[NH2+][C@@H](C)[C@@H](C)O ZINC000710987734 712272206 /nfs/dbraw/zinc/27/22/06/712272206.db2.gz JNXZLABLDBHLKQ-YIZRAAEISA-N 1 0 203.282 0.497 10 0 BCAERO COC[C@H](C)CN1C[C@@H](F)C[C@H]1C[NH3+] ZINC000378776277 712360779 /nfs/dbraw/zinc/36/07/79/712360779.db2.gz HQIOWPIQEXASTO-UTLUCORTSA-N 1 0 204.289 0.640 10 0 BCAERO CCCCOC[C@H](O)CN1CC[NH2+][C@@H](C)[C@H]1C ZINC000379475147 712385676 /nfs/dbraw/zinc/38/56/76/712385676.db2.gz ZEBXRKYFKMXIOG-YNEHKIRRSA-N 1 0 244.379 0.846 10 0 BCAERO CS/C=C/C(=O)N1CCC[C@H]1C[NH3+] ZINC000379629914 712390952 /nfs/dbraw/zinc/39/09/52/712390952.db2.gz MLZUVCLNXUZYHT-JQTRYQTASA-N 1 0 200.307 0.813 10 0 BCAERO C=C/C=C\CC[N@H+]1CCC[C@](O)(C(N)=O)C1 ZINC000713638701 712467935 /nfs/dbraw/zinc/46/79/35/712467935.db2.gz AUXLEYHJFBFWKH-VSQXVHSFSA-N 1 0 224.304 0.431 10 0 BCAERO Cc1nnc(NC(=O)[C@@H]2CO[C@@H](C[NH3+])C2)s1 ZINC000713765964 712472065 /nfs/dbraw/zinc/47/20/65/712472065.db2.gz DMWZKIDBZQJHCG-NKWVEPMBSA-N 1 0 242.304 0.149 10 0 BCAERO CCC(CC)CNC(=O)[C@@H]1CO[C@H](C[NH3+])C1 ZINC000713804090 712472805 /nfs/dbraw/zinc/47/28/05/712472805.db2.gz ZMGLKHHFNRBMLW-QWRGUYRKSA-N 1 0 228.336 0.903 10 0 BCAERO [NH3+]C[C@H]1C[C@H](C(=O)NC(C2CC2)C2CC2)CO1 ZINC000713808895 712472809 /nfs/dbraw/zinc/47/28/09/712472809.db2.gz CVQQZSNELSHBGW-WDEREUQCSA-N 1 0 238.331 0.655 10 0 BCAERO CCCN(C)C(=O)[C@H]1CO[C@H](C[NH3+])C1 ZINC000713837616 712473334 /nfs/dbraw/zinc/47/33/34/712473334.db2.gz NZXOWIRQIUQERK-BDAKNGLRSA-N 1 0 200.282 0.219 10 0 BCAERO CCN(CC)C(=O)[C@H]1CO[C@@H](C[NH3+])C1 ZINC000713838679 712473355 /nfs/dbraw/zinc/47/33/55/712473355.db2.gz SHDIOYYUINFQQM-RKDXNWHRSA-N 1 0 200.282 0.219 10 0 BCAERO CC(C)CCNC(=O)[C@H]1CO[C@H](C[NH3+])C1 ZINC000713872261 712473377 /nfs/dbraw/zinc/47/33/77/712473377.db2.gz OLQSZPHWVKRPOZ-ZJUUUORDSA-N 1 0 214.309 0.513 10 0 BCAERO C[C@H](NC(=O)[C@H]1CO[C@@H](C[NH3+])C1)C1CC1 ZINC000713861619 712473485 /nfs/dbraw/zinc/47/34/85/712473485.db2.gz VPHZFHCWZDSWKA-FXBDTBDDSA-N 1 0 212.293 0.265 10 0 BCAERO CC(C)(C)NC(=O)[C@H]1CO[C@@H](C[NH3+])C1 ZINC000713835792 712473490 /nfs/dbraw/zinc/47/34/90/712473490.db2.gz GSUZZAJPLKXZGQ-HTQZYQBOSA-N 1 0 200.282 0.265 10 0 BCAERO COCC1CC(NC(=O)[C@]2(C)CC[NH2+]C2)C1 ZINC000713935712 712474089 /nfs/dbraw/zinc/47/40/89/712474089.db2.gz OCFVKXFYIZFLNG-RTYFJBAXSA-N 1 0 226.320 0.527 10 0 BCAERO CCn1cc(CN2C[C@H]([NH3+])[C@@H](C)C2)nn1 ZINC000714422636 712486315 /nfs/dbraw/zinc/48/63/15/712486315.db2.gz YCTTZNRLOVWNIN-WPRPVWTQSA-N 1 0 209.297 0.077 10 0 BCAERO C[C@@H]([NH3+])CCNS(=O)(=O)CCCC1CC1 ZINC000715049167 712505330 /nfs/dbraw/zinc/50/53/30/712505330.db2.gz KZZKQPJBZKJUFX-SECBINFHSA-N 1 0 234.365 0.833 10 0 BCAERO C[C@@H]1COC[C@H](C)N1C(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000715148405 712512402 /nfs/dbraw/zinc/51/24/02/712512402.db2.gz MTPSZGLGQBYAOW-KZVJFYERSA-N 1 0 248.273 0.462 10 0 BCAERO C[C@H]1C[C@H]1NC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000715152245 712513002 /nfs/dbraw/zinc/51/30/02/712513002.db2.gz BKWFOPJSBQMACD-YTLHQDLWSA-N 1 0 204.220 0.351 10 0 BCAERO C[C@H](NC(=O)[C@@H]1C[C@@H]1C[NH3+])[C@@H]1CCCO1 ZINC000715229614 712513688 /nfs/dbraw/zinc/51/36/88/712513688.db2.gz XXCIEIYEPSAKOF-JLIMGVALSA-N 1 0 212.293 0.265 10 0 BCAERO CC[C@@H]1COC[C@H]1[NH2+][C@H](C)c1cn(C)nn1 ZINC000715942363 712544839 /nfs/dbraw/zinc/54/48/39/712544839.db2.gz IQBKSMZDEVVSGG-FXPVBKGRSA-N 1 0 224.308 0.891 10 0 BCAERO C[C@@H](NCC[C@@H]1CCC[N@@H+]1C)c1cn(C)nn1 ZINC000715929707 712543877 /nfs/dbraw/zinc/54/38/77/712543877.db2.gz SMQFOPBPYBFDFE-MNOVXSKESA-N 1 0 237.351 0.950 10 0 BCAERO O=C(NCC[C@@H]1CCCS1)[C@@H]1CC[NH2+]C1 ZINC000715982002 712550958 /nfs/dbraw/zinc/55/09/58/712550958.db2.gz DLEYOKVSMSPPOJ-ZJUUUORDSA-N 1 0 228.361 0.998 10 0 BCAERO O=C(NCC[C@H]1CCCS1)[C@H]1CC[NH2+]C1 ZINC000715982001 712551049 /nfs/dbraw/zinc/55/10/49/712551049.db2.gz DLEYOKVSMSPPOJ-VHSXEESVSA-N 1 0 228.361 0.998 10 0 BCAERO CC(C)(O)C1CC[NH+](C[C@@H]2CNC(=O)O2)CC1 ZINC000716412440 712559123 /nfs/dbraw/zinc/55/91/23/712559123.db2.gz ICNMRFVOHOLPIT-JTQLQIEISA-N 1 0 242.319 0.578 10 0 BCAERO NC(=O)C1CC([NH2+][C@@H]2CCn3ccnc32)C1 ZINC000716684033 712570022 /nfs/dbraw/zinc/57/00/22/712570022.db2.gz OXHRYWXVCVWXLQ-AMDVSUOASA-N 1 0 220.276 0.181 10 0 BCAERO COCCC[C@@H](C)[NH2+]C1CC(C(N)=O)C1 ZINC000716682250 712570032 /nfs/dbraw/zinc/57/00/32/712570032.db2.gz ARCFLMQOGYWDLW-XNWIYYODSA-N 1 0 214.309 0.655 10 0 BCAERO CC(C)n1cc(C[NH2+]C2CC(C(N)=O)C2)nn1 ZINC000716684452 712570035 /nfs/dbraw/zinc/57/00/35/712570035.db2.gz NBHOKEMVYQZLEN-UHFFFAOYSA-N 1 0 237.307 0.213 10 0 BCAERO COC1(C[NH2+]C2CC(C(N)=O)C2)CCCC1 ZINC000716704718 712570134 /nfs/dbraw/zinc/57/01/34/712570134.db2.gz FMQTXESFZPQODU-UHFFFAOYSA-N 1 0 226.320 0.799 10 0 BCAERO NC(=O)C1CC([NH2+][C@@H]2CCOC3(CCC3)C2)C1 ZINC000716762748 712572995 /nfs/dbraw/zinc/57/29/95/712572995.db2.gz ZVUKXLODDDQLHC-HSOILSAZSA-N 1 0 238.331 0.942 10 0 BCAERO C[C@H]1COCC[C@H]1[NH2+]C1CC(C(N)=O)C1 ZINC000716742435 712572169 /nfs/dbraw/zinc/57/21/69/712572169.db2.gz YGDSTRHTQUVKFM-AUXWQGHOSA-N 1 0 212.293 0.265 10 0 BCAERO Cc1ncc(C[NH2+]C2CC(C(N)=O)C2)s1 ZINC000716745698 712572197 /nfs/dbraw/zinc/57/21/97/712572197.db2.gz NGCNNMDTQBFDOG-UHFFFAOYSA-N 1 0 225.317 0.805 10 0 BCAERO C[NH2+][C@H](C)CNC(=O)C[C@H]1CC(C)(C)CO1 ZINC000717079365 712628937 /nfs/dbraw/zinc/62/89/37/712628937.db2.gz ICUIVWFSMOMHSL-ZJUUUORDSA-N 1 0 228.336 0.916 10 0 BCAERO CCN(CC(=O)NC)C(=O)C1CCC([NH3+])CC1 ZINC000037626314 712693824 /nfs/dbraw/zinc/69/38/24/712693824.db2.gz ZQHPBVVVYSVPFW-UHFFFAOYSA-N 1 0 241.335 0.098 10 0 BCAERO C[C@@H]1CO[C@@H](C(=O)NC[C@@H]2CC[NH2+]C2)C1 ZINC000718476015 712766372 /nfs/dbraw/zinc/76/63/72/712766372.db2.gz KHBQLQCBQZOHNM-IVZWLZJFSA-N 1 0 212.293 0.137 10 0 BCAERO CC(C)(CO)[NH2+]C[C@H](O)COCc1ccco1 ZINC000037853704 712775722 /nfs/dbraw/zinc/77/57/22/712775722.db2.gz WJVPRAZAKKOPEA-JTQLQIEISA-N 1 0 243.303 0.518 10 0 BCAERO CC(C)CCC[NH2+][C@@H]1CS(=O)(=O)C[C@H]1O ZINC000038093847 712807733 /nfs/dbraw/zinc/80/77/33/712807733.db2.gz LXOJNQQYFOIPTN-NXEZZACHSA-N 1 0 235.349 0.170 10 0 BCAERO C[C@H]1CN(CCc2ccns2)C[C@H]1[NH3+] ZINC000719829650 712823836 /nfs/dbraw/zinc/82/38/36/712823836.db2.gz BFOKXSDBPNTAIS-WCBMZHEXSA-N 1 0 211.334 0.965 10 0 BCAERO CO[C@H]1CN(Cc2nocc2C)[C@](C)(C[NH3+])C1 ZINC000720394255 712838258 /nfs/dbraw/zinc/83/82/58/712838258.db2.gz HQIKNYOXPVWQDO-PWSUYJOCSA-N 1 0 239.319 0.921 10 0 BCAERO C[C@H]([NH3+])CCNC(=O)[C@@H](C)[C@H]1CCCO1 ZINC000720541240 712850130 /nfs/dbraw/zinc/85/01/30/712850130.db2.gz MURJVBVPCVAQME-LPEHRKFASA-N 1 0 214.309 0.655 10 0 BCAERO C[C@@H](N[C@@H](C)c1cn(C)nn1)[C@@H]1CCC[NH2+]1 ZINC000720600087 712856946 /nfs/dbraw/zinc/85/69/46/712856946.db2.gz BAFGSUZWXWWARH-UTLUCORTSA-N 1 0 223.324 0.606 10 0 BCAERO C[C@@H](N[C@H]1CCC[NH2+]CC1)c1cn(C)nn1 ZINC000720583970 712854631 /nfs/dbraw/zinc/85/46/31/712854631.db2.gz NVOQIBXMISMZCO-ZJUUUORDSA-N 1 0 223.324 0.608 10 0 BCAERO CC(C)(C[NH3+])CC(=O)N[C@H]1CCC[C@@H](O)C1 ZINC000721213962 712899080 /nfs/dbraw/zinc/89/90/80/712899080.db2.gz IYVSLQSZVDDKMW-VHSXEESVSA-N 1 0 228.336 0.781 10 0 BCAERO CO[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CC(=O)N(C)C1 ZINC000722742431 710719582 /nfs/dbraw/zinc/71/95/82/710719582.db2.gz QUCROVHVOPRJGH-OUAUKWLOSA-N 1 0 226.320 0.622 10 0 BCAERO Cc1cn(C)nc1CN1C[C@H]([NH3+])[C@@H](C)C1 ZINC000723955449 710731462 /nfs/dbraw/zinc/73/14/62/710731462.db2.gz SGADPZKMDNMAHV-WPRPVWTQSA-N 1 0 208.309 0.508 10 0 BCAERO Cc1cc(NC[C@@H]2C[NH2+]C[C@H]2C)n2ncnc2n1 ZINC000723793684 710731613 /nfs/dbraw/zinc/73/16/13/710731613.db2.gz UTEWAORHTYSLIH-SCZZXKLOSA-N 1 0 246.318 0.700 10 0 BCAERO COc1ccnc(NC[C@@H]2C[NH2+]C[C@H]2C)n1 ZINC000723820144 710733488 /nfs/dbraw/zinc/73/34/88/710733488.db2.gz ASMNTFDMJRCSML-BDAKNGLRSA-N 1 0 222.292 0.753 10 0 BCAERO [NH3+][C@H](CC(F)F)CN1CCn2ccnc2C1 ZINC000380536862 712901360 /nfs/dbraw/zinc/90/13/60/712901360.db2.gz GBCPDHQSEYEDIU-MRVPVSSYSA-N 1 0 230.262 0.681 10 0 BCAERO N#Cc1cc(N2CCCC[C@H]2C[NH3+])ncn1 ZINC000380657411 712902402 /nfs/dbraw/zinc/90/24/02/712902402.db2.gz UOHIWNLESQECEC-JTQLQIEISA-N 1 0 217.276 0.666 10 0 BCAERO COC(=O)[C@@H]1C[N@H+](CCC[C@H](C)O)C[C@@H]1C ZINC000381196001 710607945 /nfs/dbraw/zinc/60/79/45/710607945.db2.gz ZXRVMGQZSVOOLS-GARJFASQSA-N 1 0 229.320 0.888 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1Nc1ccc2nncn2n1 ZINC000721927573 710691435 /nfs/dbraw/zinc/69/14/35/710691435.db2.gz WVRBNQYTLQBZKG-HTQZYQBOSA-N 1 0 218.264 0.144 10 0 BCAERO Cc1nnc(N[C@@H]2C[NH2+]CC2(C)C)nc1C ZINC000721933961 710691838 /nfs/dbraw/zinc/69/18/38/710691838.db2.gz MOHGXWYRYIODAQ-SECBINFHSA-N 1 0 221.308 0.898 10 0 BCAERO Cn1ccnc(N[C@@H]2C[NH2+]CC2(C)C)c1=O ZINC000721935981 710694124 /nfs/dbraw/zinc/69/41/24/710694124.db2.gz VZZPLFHSUQLPKR-MRVPVSSYSA-N 1 0 222.292 0.190 10 0 BCAERO Cc1cc(N[C@@H]2CCCNC2=O)nc(N)[nH+]1 ZINC000049491282 711447191 /nfs/dbraw/zinc/44/71/91/711447191.db2.gz NDJDVHNXUSNOQE-SSDOTTSWSA-N 1 0 221.264 0.058 10 0 BCAERO Cc1cc(C[NH2+]C[C@@H]2CC(=O)N(C)C2)no1 ZINC000722753583 711470112 /nfs/dbraw/zinc/47/01/12/711470112.db2.gz LEYOBGOLEUJTCF-VIFPVBQESA-N 1 0 223.276 0.551 10 0 BCAERO CN(C[C@@H]1CCCO1)C(=O)[C@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC000721025950 711487565 /nfs/dbraw/zinc/48/75/65/711487565.db2.gz UMAMACMVVWTYNH-USZNOCQGSA-N 1 0 238.331 0.479 10 0 BCAERO CC(C)(C)[C@H](O)C[NH2+]C[C@H]1C[C@@H]2COC[C@@H]2O1 ZINC000724622558 711519065 /nfs/dbraw/zinc/51/90/65/711519065.db2.gz LLTAEGSPJTXMHA-WISYIIOYSA-N 1 0 243.347 0.787 10 0 BCAERO Cc1cc(C)nc(C[N@@H+]2C[C@H](O)C[C@@H]2CO)c1 ZINC000723842531 711538049 /nfs/dbraw/zinc/53/80/49/711538049.db2.gz GJGIBRXDYSGMPN-CHWSQXEVSA-N 1 0 236.315 0.626 10 0 BCAERO Cc1cc(C)nc(C[N@@H+]2C[C@@H](O)C[C@H]2CO)c1 ZINC000723842534 711538377 /nfs/dbraw/zinc/53/83/77/711538377.db2.gz GJGIBRXDYSGMPN-STQMWFEESA-N 1 0 236.315 0.626 10 0 BCAERO C[C@@H]1CN(c2ccnc(C(N)=O)c2)C[C@H]1CC[NH3+] ZINC000723916585 711544797 /nfs/dbraw/zinc/54/47/97/711544797.db2.gz XWHSPTWDHMBXBJ-NXEZZACHSA-N 1 0 248.330 0.602 10 0 BCAERO C[C@@H]1CN(c2ccnc(N(C)C)n2)C[C@H]1CC[NH3+] ZINC000723914825 711545070 /nfs/dbraw/zinc/54/50/70/711545070.db2.gz GFXJWJNNFJONHO-GHMZBOCLSA-N 1 0 249.362 0.964 10 0 BCAERO C[C@H]1CC(C[NH2+]CCS(C)(=O)=O)C[C@H](C)O1 ZINC000724472391 711582986 /nfs/dbraw/zinc/58/29/86/711582986.db2.gz DDHMPWCMSDZONK-UWVGGRQHSA-N 1 0 249.376 0.824 10 0 BCAERO O[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1C[C@@H]2COC[C@@H]2O1 ZINC000724541634 711587186 /nfs/dbraw/zinc/58/71/86/711587186.db2.gz FXHDVCCENVVPPK-VEGXAWMVSA-N 1 0 241.331 0.683 10 0 BCAERO C[C@H]([NH3+])CN(C)c1nnnn1-c1ccccc1 ZINC000111375714 711588034 /nfs/dbraw/zinc/58/80/34/711588034.db2.gz SQWRBRLIZCZTBW-VIFPVBQESA-N 1 0 232.291 0.446 10 0 BCAERO OCC[C@@H]1CC[N@H+](C[C@@H]2C[C@H]3COC[C@@H]3O2)C1 ZINC000724606632 711597911 /nfs/dbraw/zinc/59/79/11/711597911.db2.gz CSPUZJAZSCHNQA-CYDGBPFRSA-N 1 0 241.331 0.495 10 0 BCAERO C[C@H](C[NH3+])c1noc([C@H](C)n2cccn2)n1 ZINC000721363552 711613824 /nfs/dbraw/zinc/61/38/24/711613824.db2.gz HEANZBMVNVZWES-SFYZADRCSA-N 1 0 221.264 0.938 10 0 BCAERO C[C@H](C[NH3+])c1noc([C@@H](C)n2cccn2)n1 ZINC000721363550 711614131 /nfs/dbraw/zinc/61/41/31/711614131.db2.gz HEANZBMVNVZWES-HTQZYQBOSA-N 1 0 221.264 0.938 10 0 BCAERO CC(C)(C)[C@H](O)C[NH2+]CCO[C@H]1CCOC1 ZINC000724985876 711640768 /nfs/dbraw/zinc/64/07/68/711640768.db2.gz OETWZLNYNMVNTQ-WDEREUQCSA-N 1 0 231.336 0.789 10 0 BCAERO Cc1nsc(N2CCCO[C@H](C[NH3+])C2)n1 ZINC000313349330 711718513 /nfs/dbraw/zinc/71/85/13/711718513.db2.gz JENDGZOCOFPCEP-MRVPVSSYSA-N 1 0 228.321 0.401 10 0 BCAERO [NH3+]C[C@@H]1CCCN1C(=O)Cc1cccc(O)c1 ZINC000104312699 711719925 /nfs/dbraw/zinc/71/99/25/711719925.db2.gz OKSQXAAIDWNUQX-NSHDSACASA-N 1 0 234.299 0.884 10 0 BCAERO COC[C@@H](C)[NH2+]CCC1OCCCO1 ZINC000379590125 711804333 /nfs/dbraw/zinc/80/43/33/711804333.db2.gz WBMDCDPXCUVMPJ-SECBINFHSA-N 1 0 203.282 0.764 10 0 BCAERO C[C@@H]1[NH2+]CCC[C@H]1Nc1ccnc(C(N)=O)c1 ZINC000229599495 711838466 /nfs/dbraw/zinc/83/84/66/711838466.db2.gz AQRBGKKWKGCXBO-WCBMZHEXSA-N 1 0 234.303 0.733 10 0 BCAERO COc1cc(N[C@H]2C[NH2+]CC2(C)C)ncn1 ZINC000721936489 711940761 /nfs/dbraw/zinc/94/07/61/711940761.db2.gz ZXZIQTHSVLOYBN-QMMMGPOBSA-N 1 0 222.292 0.895 10 0 BCAERO Cc1cc(=O)[nH]c(C[NH2+]C(C)(C)CO)n1 ZINC000700468149 711993620 /nfs/dbraw/zinc/99/36/20/711993620.db2.gz LOXLVNDBFZBVBF-UHFFFAOYSA-N 1 0 211.265 0.351 10 0 BCAERO CC[C@H](CO)[NH2+]Cc1nc(C)cc(=O)[nH]1 ZINC000700468119 711993757 /nfs/dbraw/zinc/99/37/57/711993757.db2.gz KUERFGKJPPUFOR-MRVPVSSYSA-N 1 0 211.265 0.351 10 0 BCAERO Cc1cc(=O)[nH]c(CNC(C)(C)C[NH+](C)C)n1 ZINC000700472754 711994803 /nfs/dbraw/zinc/99/48/03/711994803.db2.gz ZVBXAZLGYLLFMX-UHFFFAOYSA-N 1 0 238.335 0.920 10 0 BCAERO C[C@@H]([NH2+][C@@H]1CS(=O)(=O)C[C@H]1O)[C@H]1CC1(C)C ZINC000700606794 712001076 /nfs/dbraw/zinc/00/10/76/712001076.db2.gz XLSGOVPUFOUZEU-ZYUZMQFOSA-N 1 0 247.360 0.169 10 0 BCAERO C[C@H](C[NH3+])N(C)C(=O)[C@H]1Cc2ccccc2CO1 ZINC000700641529 712001219 /nfs/dbraw/zinc/00/12/19/712001219.db2.gz JGMWJKKFPYJREL-ZWNOBZJWSA-N 1 0 248.326 0.934 10 0 BCAERO C[NH2+]C[C@H](C)NC(=O)[C@H]1Cc2ccccc2CO1 ZINC000700644622 712001233 /nfs/dbraw/zinc/00/12/33/712001233.db2.gz ZVSXJWGHXDHCPA-GXFFZTMASA-N 1 0 248.326 0.852 10 0 BCAERO [NH3+]CCCNC(=O)[C@@H]1Cc2ccccc2CO1 ZINC000700665086 712001669 /nfs/dbraw/zinc/00/16/69/712001669.db2.gz NGMFBMKJKRQAOB-LBPRGKRZSA-N 1 0 234.299 0.593 10 0 BCAERO CC[C@@H]([NH3+])CNC(=O)[C@H]1Cc2ccccc2CO1 ZINC000700649355 712002100 /nfs/dbraw/zinc/00/21/00/712002100.db2.gz ANCQVZZMWCFAHF-CHWSQXEVSA-N 1 0 248.326 0.981 10 0 BCAERO C[C@H](C[NH3+])NC(=O)[C@@H]1Cc2ccccc2CO1 ZINC000700667915 712002116 /nfs/dbraw/zinc/00/21/16/712002116.db2.gz ZPBBLADBZYYWTO-SKDRFNHKSA-N 1 0 234.299 0.591 10 0 BCAERO Cc1nc(CC(=O)N2C[C@H](C)[C@H]([NH3+])C2)cs1 ZINC000700776931 712006940 /nfs/dbraw/zinc/00/69/40/712006940.db2.gz SFADSAJOJVYZFY-OIBJUYFYSA-N 1 0 239.344 0.800 10 0 BCAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)c1cccnc1F ZINC000701052061 712013566 /nfs/dbraw/zinc/01/35/66/712013566.db2.gz ACGXDKBICIBUID-APPZFPTMSA-N 1 0 223.251 0.782 10 0 BCAERO O=C(NC[C@@H]1CC[NH2+]C1)c1cccc(F)n1 ZINC000701078371 712014227 /nfs/dbraw/zinc/01/42/27/712014227.db2.gz OBLRNHCKMNWWQG-MRVPVSSYSA-N 1 0 223.251 0.560 10 0 BCAERO C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1NC(=O)C1CC([NH3+])C1 ZINC000701105670 712015495 /nfs/dbraw/zinc/01/54/95/712015495.db2.gz QKMNHLDVPSWNIH-XQQNGZLASA-N 1 0 226.320 0.652 10 0 BCAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)/C=C/c1cnn(C)c1 ZINC000701377954 712021552 /nfs/dbraw/zinc/02/15/52/712021552.db2.gz HOAGJUTVXSWYRK-ZVECUQNESA-N 1 0 234.303 0.381 10 0 BCAERO Cn1cc(/C=C/C(=O)NC[C@H]2CC[NH2+]C2)cn1 ZINC000701380242 712021567 /nfs/dbraw/zinc/02/15/67/712021567.db2.gz UVPRUZJTTPURDD-PBKGFPTLSA-N 1 0 234.303 0.159 10 0 BCAERO C[NH+](C)C[C@H](N)c1nc(CC2CCC2)no1 ZINC000702197208 712041209 /nfs/dbraw/zinc/04/12/09/712041209.db2.gz BAUTYFCJPGKMHA-VIFPVBQESA-N 1 0 224.308 0.974 10 0 BCAERO c1cnc(CN[C@H]2CCC[NH2+]CC2)nc1 ZINC000702397228 712049902 /nfs/dbraw/zinc/04/99/02/712049902.db2.gz KUTIWOCFWZTSSN-JTQLQIEISA-N 1 0 206.293 0.708 10 0 BCAERO O[C@H]1C[NH2+]C[C@@H]1CNc1cncc(Cl)n1 ZINC000702831212 712061446 /nfs/dbraw/zinc/06/14/46/712061446.db2.gz LXLGEHWQGAYHFA-RQJHMYQMSA-N 1 0 228.683 0.122 10 0 BCAERO CCCS(=O)(=O)CCN1CC[C@@H](O)C[C@H]1C ZINC000705222220 712124815 /nfs/dbraw/zinc/12/48/15/712124815.db2.gz IXZDKPRBZGPTBA-GHMZBOCLSA-N 1 0 249.376 0.656 10 0 BCAERO C[C@@H]1C[C@H](O)CC[N@@H+]1CCCN1CCOC1=O ZINC000705231469 712124905 /nfs/dbraw/zinc/12/49/05/712124905.db2.gz CJNPKZXXEMLZHE-GHMZBOCLSA-N 1 0 242.319 0.674 10 0 BCAERO C[C@@H](NC(=O)C12CCC[NH+](CCC1)C2)[C@H](C)O ZINC000705929952 712138149 /nfs/dbraw/zinc/13/81/49/712138149.db2.gz LLUZMAFWCZPPDE-MNOVXSKESA-N 1 0 240.347 0.748 10 0 BCAERO O[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CCc2cccnc21 ZINC000706765916 712154682 /nfs/dbraw/zinc/15/46/82/712154682.db2.gz BHARHVDMUDBTRE-QJPTWQEYSA-N 1 0 234.299 0.808 10 0 BCAERO Cc1csc(C[NH2+][C@@H]2CCOC[C@@H]2O)n1 ZINC000706790744 712155346 /nfs/dbraw/zinc/15/53/46/712155346.db2.gz HHFIDINIKLJCNR-BDAKNGLRSA-N 1 0 228.317 0.691 10 0 BCAERO O[C@@H](C[NH2+][C@H]1CCOC[C@H]1O)c1ccccc1 ZINC000706968447 712160460 /nfs/dbraw/zinc/16/04/60/712160460.db2.gz JUKJHIJTAWDMKT-RWMBFGLXSA-N 1 0 237.299 0.459 10 0 BCAERO CC[NH2+][C@@H](C)C(=O)NC[C@@H](O)C(F)(F)F ZINC000707958544 712173721 /nfs/dbraw/zinc/17/37/21/712173721.db2.gz NIFWLKJOIRIEPO-NTSWFWBYSA-N 1 0 228.214 0.024 10 0 BCAERO CC1(C)CO[C@H](C[NH2+]CC2(O)CCOCC2)C1 ZINC000708331747 712188568 /nfs/dbraw/zinc/18/85/68/712188568.db2.gz GUKLACLACWAVBQ-NSHDSACASA-N 1 0 243.347 0.933 10 0 BCAERO CCN1CC[C@@H]([N@@H+]2C[C@@H](C)[C@H](CO)C2)C1=O ZINC000708697087 712197811 /nfs/dbraw/zinc/19/78/11/712197811.db2.gz CAGBIYIIWBNBTO-OUAUKWLOSA-N 1 0 226.320 0.167 10 0 BCAERO C[C@@H]1CN(c2ccnc(C(N)=O)c2)C[C@@H]1C[NH3+] ZINC000708839644 712200596 /nfs/dbraw/zinc/20/05/96/712200596.db2.gz QAZZLSQPRJCHQF-BDAKNGLRSA-N 1 0 234.303 0.212 10 0 BCAERO C[C@H]1CN(C(=O)C(F)(F)C(F)F)C[C@@H]1C[NH3+] ZINC000708841630 712200739 /nfs/dbraw/zinc/20/07/39/712200739.db2.gz CBIWIHYNKJSREO-WDSKDSINSA-N 1 0 242.216 0.940 10 0 BCAERO C[C@@H]1CN(C(=O)/C=C\c2cnn(C)c2)C[C@@H]1C[NH3+] ZINC000708893799 712202430 /nfs/dbraw/zinc/20/24/30/712202430.db2.gz NVBNSOZNOIYADN-FQVWWYAISA-N 1 0 248.330 0.487 10 0 BCAERO COCC1CC(NC(=O)[C@]2(C)CCC[NH2+]2)C1 ZINC000709522317 712223363 /nfs/dbraw/zinc/22/33/63/712223363.db2.gz ONVVFRCQTOEHJK-CBINBANVSA-N 1 0 226.320 0.670 10 0 BCAERO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(c1ncnc3nc[nH]c31)C2 ZINC000709802231 712227463 /nfs/dbraw/zinc/22/74/63/712227463.db2.gz JANWGHIZNPLJRL-YIZRAAEISA-N 1 0 244.302 0.669 10 0 BCAERO O[C@H]1C[C@H]2C[C@@H](C1)N(C[C@H]1CCC[NH2+]1)C2 ZINC000709844064 712229453 /nfs/dbraw/zinc/22/94/53/712229453.db2.gz DAFHTBWVMVXELF-WYUUTHIRSA-N 1 0 210.321 0.584 10 0 BCAERO C[C@@H]([NH2+]CCn1cncn1)c1cn(C)cn1 ZINC000710007301 712239243 /nfs/dbraw/zinc/23/92/43/712239243.db2.gz PSMZFUZDRPPODG-SECBINFHSA-N 1 0 220.280 0.362 10 0 BCAERO COC1(OC)CC[C@@H]1[NH2+]CCn1cc(C)cn1 ZINC000710952042 712267064 /nfs/dbraw/zinc/26/70/64/712267064.db2.gz HJWNAZUBHYZTQY-NSHDSACASA-N 1 0 239.319 0.933 10 0 BCAERO COC1(OC)CC[C@@H]1[NH2+]C1CC(CO)C1 ZINC000710956728 712267880 /nfs/dbraw/zinc/26/78/80/712267880.db2.gz CPKSILUGKPCLCV-RTBKNWGFSA-N 1 0 215.293 0.498 10 0 BCAERO COC1(OC)CC[C@H]1[NH2+]CCn1cncn1 ZINC000710977598 712270926 /nfs/dbraw/zinc/27/09/26/712270926.db2.gz NFQYLCDECSJTKX-SECBINFHSA-N 1 0 226.280 0.019 10 0 BCAERO COC1(OC)CC[C@H]1[NH2+]C[C@H]1CN(C)CCO1 ZINC000710989785 712272051 /nfs/dbraw/zinc/27/20/51/712272051.db2.gz QZDMJUAWMLLFLL-WDEREUQCSA-N 1 0 244.335 0.058 10 0 BCAERO C[C@H](NC(=O)[C@@H]1C[NH2+]CC1(C)C)[C@@H]1CCCO1 ZINC000711346795 712295046 /nfs/dbraw/zinc/29/50/46/712295046.db2.gz LYDYWAHSCQDWQO-DCAQKATOSA-N 1 0 240.347 0.916 10 0 BCAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]CCOC1CC1 ZINC000711688107 712317490 /nfs/dbraw/zinc/31/74/90/712317490.db2.gz JOVNOGOJNDXFBS-WPRPVWTQSA-N 1 0 212.293 0.422 10 0 BCAERO c1cn(C2CC2)c(CN2CCO[C@@H]3C[NH2+]C[C@@H]32)n1 ZINC000711725781 712322245 /nfs/dbraw/zinc/32/22/45/712322245.db2.gz KWEJAQFTIJDWGU-NWDGAFQWSA-N 1 0 248.330 0.391 10 0 BCAERO COC(=O)[C@@H]1C[N@H+](CCOC2CC2)C[C@@H]1C ZINC000711758086 712325800 /nfs/dbraw/zinc/32/58/00/712325800.db2.gz GXHAVBYHBQJQTL-GXSJLCMTSA-N 1 0 227.304 0.906 10 0 BCAERO [NH3+]C[C@@H]1C[C@H](F)CN1C(=O)[C@H]1CCCS1 ZINC000378791119 712361868 /nfs/dbraw/zinc/36/18/68/712361868.db2.gz NOFVWCGPHKSOLX-XHNCKOQMSA-N 1 0 232.324 0.780 10 0 BCAERO CCCCOC[C@H](O)CN1CC[NH2+][C@H](C)[C@H]1C ZINC000379475145 712385447 /nfs/dbraw/zinc/38/54/47/712385447.db2.gz ZEBXRKYFKMXIOG-JHJVBQTASA-N 1 0 244.379 0.846 10 0 BCAERO CS/C=C\C(=O)N1CCC[C@@H]1C[NH3+] ZINC000379629915 712391076 /nfs/dbraw/zinc/39/10/76/712391076.db2.gz MLZUVCLNXUZYHT-RZAAKKIOSA-N 1 0 200.307 0.813 10 0 BCAERO Cn1ncc(C[NH2+][C@@H]2CCOC[C@@H]2O)c1Cl ZINC000712470915 712430719 /nfs/dbraw/zinc/43/07/19/712430719.db2.gz ZAQYGIWZVLZRTK-BDAKNGLRSA-N 1 0 245.710 0.313 10 0 BCAERO COC(=O)CCN1CC[NH2+]CCC12CCC2 ZINC000713191715 712454210 /nfs/dbraw/zinc/45/42/10/712454210.db2.gz VPAOLLVEPNIUCZ-UHFFFAOYSA-N 1 0 226.320 0.768 10 0 BCAERO Cc1nnc(NC(=O)[C@H]2CO[C@H](C[NH3+])C2)s1 ZINC000713765969 712471715 /nfs/dbraw/zinc/47/17/15/712471715.db2.gz DMWZKIDBZQJHCG-RQJHMYQMSA-N 1 0 242.304 0.149 10 0 BCAERO CCCCN(C)C(=O)[C@@H]1CO[C@H](C[NH3+])C1 ZINC000713767213 712471967 /nfs/dbraw/zinc/47/19/67/712471967.db2.gz ROFSGTWIVPZZSW-UWVGGRQHSA-N 1 0 214.309 0.609 10 0 BCAERO Cc1ccc(CNC(=O)[C@H]2CO[C@H](C[NH3+])C2)cc1 ZINC000713783660 712472270 /nfs/dbraw/zinc/47/22/70/712472270.db2.gz RJBQLZTWMILOFH-OLZOCXBDSA-N 1 0 248.326 0.975 10 0 BCAERO [NH3+]C[C@@H]1C[C@@H](C(=O)NCCc2ccccc2)CO1 ZINC000713783667 712472284 /nfs/dbraw/zinc/47/22/84/712472284.db2.gz RJKVSJKTGLMENX-OLZOCXBDSA-N 1 0 248.326 0.709 10 0 BCAERO [NH3+]C[C@@H]1C[C@@H](C(=O)NCc2ccccc2)CO1 ZINC000713797247 712472428 /nfs/dbraw/zinc/47/24/28/712472428.db2.gz UDVDPURJIDNRMZ-NEPJUHHUSA-N 1 0 234.299 0.667 10 0 BCAERO Cc1ccccc1CNC(=O)[C@@H]1CO[C@@H](C[NH3+])C1 ZINC000713777218 712472511 /nfs/dbraw/zinc/47/25/11/712472511.db2.gz YTVYURICIIQPSH-QWHCGFSZSA-N 1 0 248.326 0.975 10 0 BCAERO [NH3+]C[C@H]1C[C@@H](C(=O)Nc2ccc(F)nc2)CO1 ZINC000713810713 712472907 /nfs/dbraw/zinc/47/29/07/712472907.db2.gz ISHKLQZFTFWYQP-VXNVDRBHSA-N 1 0 239.250 0.523 10 0 BCAERO [NH3+]C[C@H]1C[C@H](C(=O)Nc2ccc(F)nc2)CO1 ZINC000713810710 712473017 /nfs/dbraw/zinc/47/30/17/712473017.db2.gz ISHKLQZFTFWYQP-IONNQARKSA-N 1 0 239.250 0.523 10 0 BCAERO CCCCNC(=O)[C@@H]1CO[C@H](C[NH3+])C1 ZINC000713838383 712473212 /nfs/dbraw/zinc/47/32/12/712473212.db2.gz RIALCESVIIOXGG-IUCAKERBSA-N 1 0 200.282 0.267 10 0 BCAERO CC[C@H](C)NC(=O)[C@@H]1CO[C@H](C[NH3+])C1 ZINC000713837070 712473460 /nfs/dbraw/zinc/47/34/60/712473460.db2.gz LKVYITXTYBSBGN-CIUDSAMLSA-N 1 0 200.282 0.265 10 0 BCAERO COCC1CC(NC(=O)[C@@H](C)[C@@H](C)[NH3+])C1 ZINC000713930004 712473690 /nfs/dbraw/zinc/47/36/90/712473690.db2.gz GCQYSZGAWQJTBB-AFWXGSBKSA-N 1 0 214.309 0.511 10 0 BCAERO COCC1CC([NH2+]C[C@H](O)C(F)(F)F)C1 ZINC000713971996 712475437 /nfs/dbraw/zinc/47/54/37/712475437.db2.gz AFDBMCAKZBLQAB-RRQHEKLDSA-N 1 0 227.226 0.924 10 0 BCAERO COCC1CC(NC(=O)[C@@H]2[NH2+]CC2(C)C)C1 ZINC000713977411 712475541 /nfs/dbraw/zinc/47/55/41/712475541.db2.gz JLIGVELLEHZLDS-RTBKNWGFSA-N 1 0 226.320 0.526 10 0 BCAERO COCC1CC([NH2+]C[C@]2(OC)CCOC2)C1 ZINC000714007637 712477422 /nfs/dbraw/zinc/47/74/22/712477422.db2.gz MWUQWGLCIAZHPL-HTAVTVPLSA-N 1 0 229.320 0.807 10 0 BCAERO CCn1cc(CN2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)nn1 ZINC000714431002 712486248 /nfs/dbraw/zinc/48/62/48/712486248.db2.gz YZENDTIGZPOXAT-WCQGTBRESA-N 1 0 235.335 0.467 10 0 BCAERO [NH3+][C@@H](CO)C(=O)NCc1ccccc1Cl ZINC000714560072 712494252 /nfs/dbraw/zinc/49/42/52/712494252.db2.gz HGCVFIFZYJAOMP-VIFPVBQESA-N 1 0 228.679 0.276 10 0 BCAERO COC[C@@H]([NH3+])C(=O)NCc1ccc(Cl)nc1 ZINC000714539197 712494341 /nfs/dbraw/zinc/49/43/41/712494341.db2.gz DCPPAHKYZZSOLN-MRVPVSSYSA-N 1 0 243.694 0.325 10 0 BCAERO CCC1([NH3+])CCN(c2nccn3cnnc23)CC1 ZINC000714752672 712497101 /nfs/dbraw/zinc/49/71/01/712497101.db2.gz MFXTYBDBOJBGGC-UHFFFAOYSA-N 1 0 246.318 0.832 10 0 BCAERO [NH3+]C[C@@H]1CCCN1S(=O)(=O)CCCC1CC1 ZINC000715003467 712504158 /nfs/dbraw/zinc/50/41/58/712504158.db2.gz UBPYJUOJNWFAMF-NSHDSACASA-N 1 0 246.376 0.930 10 0 BCAERO C[C@H](NC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F)[C@@H]1CCCO1 ZINC000715072845 712506002 /nfs/dbraw/zinc/50/60/02/712506002.db2.gz DJKNYEMFXFSVMA-JBDRJPRFSA-N 1 0 248.273 0.510 10 0 BCAERO C[C@@H](O)[C@@H](C)[NH2+]C[C@H]1COC(C)(C)O1 ZINC000715130174 712506829 /nfs/dbraw/zinc/50/68/29/712506829.db2.gz WBHRCJUAHLTZBB-HLTSFMKQSA-N 1 0 203.282 0.497 10 0 BCAERO [NH3+]C1CC(CNC(=O)CCn2cccn2)C1 ZINC000715083344 712507051 /nfs/dbraw/zinc/50/70/51/712507051.db2.gz WRQAKZBFYTYCQH-UHFFFAOYSA-N 1 0 222.292 0.127 10 0 BCAERO Cc1cc(C(=O)NCC2CC([NH3+])C2)no1 ZINC000715082204 712507053 /nfs/dbraw/zinc/50/70/53/712507053.db2.gz PUQFIWRXQXVBTF-UHFFFAOYSA-N 1 0 209.249 0.450 10 0 BCAERO CC(C)SCC(=O)NCC1CC([NH3+])C1 ZINC000715129253 712511351 /nfs/dbraw/zinc/51/13/51/712511351.db2.gz MLPUAGWSNNDEOG-UHFFFAOYSA-N 1 0 216.350 0.982 10 0 BCAERO C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2C[NH3+])C[C@H](C)O1 ZINC000715190353 712513381 /nfs/dbraw/zinc/51/33/81/712513381.db2.gz BMEKQWWWUGSPOI-UTINFBMNSA-N 1 0 212.293 0.217 10 0 BCAERO CN(C[C@@H]1CCCO1)C(=O)[C@@H]1C[C@@H]1C[NH3+] ZINC000715225816 712513962 /nfs/dbraw/zinc/51/39/62/712513962.db2.gz HNUQBNMYYAHRCC-KXUCPTDWSA-N 1 0 212.293 0.219 10 0 BCAERO COc1cc(NC[C@H]2C[C@H]([NH3+])C2)ncn1 ZINC000715131347 712514066 /nfs/dbraw/zinc/51/40/66/712514066.db2.gz DQRQTBMGFQVEMS-ZKCHVHJHSA-N 1 0 208.265 0.634 10 0 BCAERO C[C@]1(C(=O)N2C[C@H]3[C@@H](C2)C3(F)F)CCC[NH2+]1 ZINC000715428973 712518759 /nfs/dbraw/zinc/51/87/59/712518759.db2.gz FOXPYHVKFJRRGS-KHQFGBGNSA-N 1 0 230.258 0.852 10 0 BCAERO O=C(NCc1c[nH]cn1)[C@]12C[NH2+]C[C@H]1CCCC2 ZINC000715484659 712520677 /nfs/dbraw/zinc/52/06/77/712520677.db2.gz LXYMYRFHKHFOPP-ZWNOBZJWSA-N 1 0 248.330 0.806 10 0 BCAERO COC(=O)[C@H]1C[N@H+](Cc2[nH]ncc2C)C[C@@H]1C ZINC000715488647 712520857 /nfs/dbraw/zinc/52/08/57/712520857.db2.gz OVGBIYQGJMASOO-UWVGGRQHSA-N 1 0 237.303 0.959 10 0 BCAERO [NH3+]CCCCCC(=O)N[C@H]1CCC[C@@H](O)C1 ZINC000037001020 712528919 /nfs/dbraw/zinc/52/89/19/712528919.db2.gz PHEYMMJZOOPTQE-WDEREUQCSA-N 1 0 228.336 0.925 10 0 BCAERO C[C@H]([NH2+]C[C@@H](O)C1CC1)c1cn(C)nn1 ZINC000715837701 712535411 /nfs/dbraw/zinc/53/54/11/712535411.db2.gz OCFHYAXSQLCMCX-OIBJUYFYSA-N 1 0 210.281 0.237 10 0 BCAERO O=C(N[C@@H]1CCC[C@@H](O)C1)C12CC[NH+](CC1)C2 ZINC000715871436 712537986 /nfs/dbraw/zinc/53/79/86/712537986.db2.gz QIXVCTMFVIOWED-GHMZBOCLSA-N 1 0 238.331 0.502 10 0 BCAERO C[NH2+][C@H](C)C(=O)NCC[C@H]1CCCS1 ZINC000716044290 712548018 /nfs/dbraw/zinc/54/80/18/712548018.db2.gz KRGIUTZQIPEKTD-RKDXNWHRSA-N 1 0 216.350 0.996 10 0 BCAERO O=C(NCC[C@@H]1CCCS1)[C@H]1CC[NH2+]C1 ZINC000715982000 712551004 /nfs/dbraw/zinc/55/10/04/712551004.db2.gz DLEYOKVSMSPPOJ-UWVGGRQHSA-N 1 0 228.361 0.998 10 0 BCAERO COC[C@@H]([NH3+])C(=O)NCCCCC1CC1 ZINC000716344544 712555757 /nfs/dbraw/zinc/55/57/57/712555757.db2.gz RXHZBKPIAPNTHV-SNVBAGLBSA-N 1 0 214.309 0.657 10 0 BCAERO CCOC[C@H](C)[NH2+]C1CC(C(N)=O)C1 ZINC000716723870 712571213 /nfs/dbraw/zinc/57/12/13/712571213.db2.gz RUMGNICOURIOHE-UEJVZZJDSA-N 1 0 200.282 0.265 10 0 BCAERO Cc1cnccc1C[NH2+]C1CC(C(N)=O)C1 ZINC000716683124 712569787 /nfs/dbraw/zinc/56/97/87/712569787.db2.gz GCYUFEAHMYETKN-UHFFFAOYSA-N 1 0 219.288 0.744 10 0 BCAERO C[C@@H]1C[C@@H]([NH2+]C2CC(C(N)=O)C2)[C@H](C)O1 ZINC000716681850 712569861 /nfs/dbraw/zinc/56/98/61/712569861.db2.gz DKQSPPLNFCKXNK-DJAYFPKFSA-N 1 0 212.293 0.406 10 0 BCAERO NC(=O)C1CC([NH2+]Cc2ccc(O)c(F)c2)C1 ZINC000716682666 712570057 /nfs/dbraw/zinc/57/00/57/712570057.db2.gz CWHCITDTJSQYSO-UHFFFAOYSA-N 1 0 238.262 0.885 10 0 BCAERO C[C@H]([NH2+]C1CC(C(N)=O)C1)c1cn(C)cn1 ZINC000716696500 712570144 /nfs/dbraw/zinc/57/01/44/712570144.db2.gz CAIJPVUTFRBKNA-UEJVZZJDSA-N 1 0 222.292 0.335 10 0 BCAERO CO[C@@H]1CCC[C@@H]1[NH2+]C1CC(C(N)=O)C1 ZINC000716700272 712570429 /nfs/dbraw/zinc/57/04/29/712570429.db2.gz YHJUBJSZXKBTMG-HORUIINNSA-N 1 0 212.293 0.407 10 0 BCAERO COC[C@@H](C)C[NH2+]C1CC(C(N)=O)C1 ZINC000716721375 712570934 /nfs/dbraw/zinc/57/09/34/712570934.db2.gz BSGWBYBTMJQVNG-UEJVZZJDSA-N 1 0 200.282 0.122 10 0 BCAERO NC(=O)C1CC([NH2+]Cc2cn3ccccc3n2)C1 ZINC000716714612 712570936 /nfs/dbraw/zinc/57/09/36/712570936.db2.gz CVCQVSOAHSLTSS-UHFFFAOYSA-N 1 0 244.298 0.688 10 0 BCAERO NC(=O)C1CC([NH2+]C[C@@H]2CCSC2)C1 ZINC000716729897 712571192 /nfs/dbraw/zinc/57/11/92/712571192.db2.gz CXIOYOIOOPXXBD-UEJVZZJDSA-N 1 0 214.334 0.593 10 0 BCAERO C[C@H]1CSC[C@@H]1[NH2+]C1CC(C(N)=O)C1 ZINC000716731813 712571565 /nfs/dbraw/zinc/57/15/65/712571565.db2.gz PTJCTRDQMUNSFL-KRTGUUSXSA-N 1 0 214.334 0.591 10 0 BCAERO COC(C)(C)[C@H](C)[NH2+]C1CC(C(N)=O)C1 ZINC000716745640 712572134 /nfs/dbraw/zinc/57/21/34/712572134.db2.gz LYPJQJOPTKQNPV-UEJVZZJDSA-N 1 0 214.309 0.653 10 0 BCAERO NC(=O)C1CC([NH2+][C@H]2CCOC3(CCC3)C2)C1 ZINC000716762750 712572731 /nfs/dbraw/zinc/57/27/31/712572731.db2.gz ZVUKXLODDDQLHC-YVNMAJEFSA-N 1 0 238.331 0.942 10 0 BCAERO C[C@@H]1C[C@@H]([NH2+]C2CC(C(N)=O)C2)C[C@H](C)O1 ZINC000716769490 712572835 /nfs/dbraw/zinc/57/28/35/712572835.db2.gz JEHAGFMUHXMYMJ-IORVBHEPSA-N 1 0 226.320 0.796 10 0 BCAERO CC[C@H]1C[C@@H]([NH2+]C2CC(C(N)=O)C2)CCO1 ZINC000716769513 712572970 /nfs/dbraw/zinc/57/29/70/712572970.db2.gz JPQUOSBNMWEARK-YIYTYNFBSA-N 1 0 226.320 0.798 10 0 BCAERO COc1cccc(C[NH2+]C2CC(C(N)=O)C2)n1 ZINC000716783397 712573112 /nfs/dbraw/zinc/57/31/12/712573112.db2.gz SHJXRJARDJBHHM-UHFFFAOYSA-N 1 0 235.287 0.444 10 0 BCAERO COc1ccc(C[NH2+]C2CC(C(N)=O)C2)cn1 ZINC000716782438 712573316 /nfs/dbraw/zinc/57/33/16/712573316.db2.gz DWSCVDRDDSVJIH-UHFFFAOYSA-N 1 0 235.287 0.444 10 0 BCAERO Cc1nccnc1[C@H](C)[NH2+]C1CC(C(N)=O)C1 ZINC000716783618 712573318 /nfs/dbraw/zinc/57/33/18/712573318.db2.gz WWQVKYOZCDXRSD-IDKOKCKLSA-N 1 0 234.303 0.700 10 0 BCAERO CN1CC[NH+](C[C@@H]2CCC[C@H](O)C2)CC1 ZINC000379865096 712617929 /nfs/dbraw/zinc/61/79/29/712617929.db2.gz NTGSNDRGCHDVIK-NEPJUHHUSA-N 1 0 212.337 0.785 10 0 BCAERO O=C(CC[NH2+]CC1CC1)N[C@@H]1CCC[C@@H](O)C1 ZINC000717189296 712638410 /nfs/dbraw/zinc/63/84/10/712638410.db2.gz ZYBVYJSARAWWDS-VXGBXAGGSA-N 1 0 240.347 0.796 10 0 BCAERO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cn[nH]c3)C[C@H]2C1 ZINC000379992339 712645097 /nfs/dbraw/zinc/64/50/97/712645097.db2.gz UKDQFGUAUYEQAN-MWLCHTKSSA-N 1 0 234.303 0.433 10 0 BCAERO C[C@@H]1COCCN1C(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000717286884 712645123 /nfs/dbraw/zinc/64/51/23/712645123.db2.gz RQKLFUISGGDODZ-BDAKNGLRSA-N 1 0 248.273 0.479 10 0 BCAERO CC1(C)CO[C@@H](CNC(=O)[C@@H]2CC[NH2+]C2)C1 ZINC000717590304 712661358 /nfs/dbraw/zinc/66/13/58/712661358.db2.gz UQIXCLYQIWSURB-NXEZZACHSA-N 1 0 226.320 0.527 10 0 BCAERO C[N@@H+]1CC[C@H]2CN(C(=O)CCCCO)C[C@H]2C1 ZINC000380012350 712669918 /nfs/dbraw/zinc/66/99/18/712669918.db2.gz BTSJMJNVIWBZEB-NWDGAFQWSA-N 1 0 240.347 0.559 10 0 BCAERO C[C@@H]1CO[C@H](C(=O)NC[C@H]2CC[NH2+]C2)C1 ZINC000718476011 712766451 /nfs/dbraw/zinc/76/64/51/712766451.db2.gz KHBQLQCBQZOHNM-GUBZILKMSA-N 1 0 212.293 0.137 10 0 BCAERO C[C@@H]1CO[C@H](C(=O)N[C@@H]2CCC[NH2+][C@H]2C)C1 ZINC000718512876 712768231 /nfs/dbraw/zinc/76/82/31/712768231.db2.gz ZZNXSDDPNNUJHU-MMWGEVLESA-N 1 0 226.320 0.668 10 0 BCAERO C[C@H]1CN(C(=O)[C@@H]2C[C@H](C)CO2)C[C@H]1C[NH3+] ZINC000718547979 712769406 /nfs/dbraw/zinc/76/94/06/712769406.db2.gz CPGCWGPHGJIOIJ-MMWGEVLESA-N 1 0 226.320 0.465 10 0 BCAERO C[NH2+][C@H](C)C(=O)NCCC(C)(C)COC ZINC000718934472 712788735 /nfs/dbraw/zinc/78/87/35/712788735.db2.gz KEPNXEUJFDDLKF-SECBINFHSA-N 1 0 216.325 0.773 10 0 BCAERO C1COC(C2CC[NH+]([C@@H]3CCOC3)CC2)O1 ZINC000719081725 712796096 /nfs/dbraw/zinc/79/60/96/712796096.db2.gz SHUMVNUOBKAHBB-LLVKDONJSA-N 1 0 227.304 0.860 10 0 BCAERO CCC[C@@H]1C[C@@H]1NC(=O)c1c(C[NH3+])cnn1C ZINC000719245749 712801117 /nfs/dbraw/zinc/80/11/17/712801117.db2.gz SFGDVAQCIKWGNW-SCZZXKLOSA-N 1 0 236.319 0.797 10 0 BCAERO Cc1c(C[NH2+][C@@H]2CCN(C)[C@@H]2C)cnn1C ZINC000719576645 712811952 /nfs/dbraw/zinc/81/19/52/712811952.db2.gz AHDJCPNPFGYMMQ-ZYHUDNBSSA-N 1 0 222.336 0.911 10 0 BCAERO Cc1conc1CN1CC[C@H]2OCC[NH2+][C@@H]2C1 ZINC000720392347 712838154 /nfs/dbraw/zinc/83/81/54/712838154.db2.gz ZXZAJVNMFCXGHP-VXGBXAGGSA-N 1 0 237.303 0.546 10 0 BCAERO CO[C@@H]1CN(Cc2nocc2C)[C@](C)(C[NH3+])C1 ZINC000720394251 712838337 /nfs/dbraw/zinc/83/83/37/712838337.db2.gz HQIKNYOXPVWQDO-JQWIXIFHSA-N 1 0 239.319 0.921 10 0 BCAERO Cc1cc(C[NH2+][C@@H]2CCC(=O)N[C@@H]2C)c(C)nn1 ZINC000720569890 712851927 /nfs/dbraw/zinc/85/19/27/712851927.db2.gz NOWCFLCYXKVWIA-ZYHUDNBSSA-N 1 0 248.330 0.850 10 0 BCAERO Cc1cc(C[NH2+][C@H]2CCC(=O)N[C@H]2C)c(C)nn1 ZINC000720569887 712852350 /nfs/dbraw/zinc/85/23/50/712852350.db2.gz NOWCFLCYXKVWIA-JQWIXIFHSA-N 1 0 248.330 0.850 10 0 BCAERO C[C@H](C(=O)N[C@H]1CC[NH2+]C1)[C@@H]1CCCO1 ZINC000720573880 712852902 /nfs/dbraw/zinc/85/29/02/712852902.db2.gz RNMAVDIITCWYLJ-GUBZILKMSA-N 1 0 212.293 0.280 10 0 BCAERO C[C@H](N[C@@H]1C[C@@H]([NH3+])C12CCC2)c1cn(C)nn1 ZINC000720602113 712857607 /nfs/dbraw/zinc/85/76/07/712857607.db2.gz JPOGQSPNOBCBJP-JMJZKYOTSA-N 1 0 235.335 0.736 10 0 BCAERO C[C@@H](NC(=O)[C@@H]1[C@@H]2CC[NH2+]C[C@@H]21)C1CC1 ZINC000720953071 712882366 /nfs/dbraw/zinc/88/23/66/712882366.db2.gz IGZFNCCCGOLAEW-CZULRBLNSA-N 1 0 208.305 0.757 10 0 BCAERO CN(C[C@H]1CCCO1)C(=O)[C@@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC000721025953 712887135 /nfs/dbraw/zinc/88/71/35/712887135.db2.gz UMAMACMVVWTYNH-WISYIIOYSA-N 1 0 238.331 0.479 10 0 BCAERO C[C@H](O)C1CC[NH+](C[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000721039891 712887696 /nfs/dbraw/zinc/88/76/96/712887696.db2.gz LCWNEPJSFGVCOO-MDZLAQPJSA-N 1 0 226.364 0.935 10 0 BCAERO C[C@@H](O)CCNC(=O)CC(C)(C)C[NH3+] ZINC000721158060 712893307 /nfs/dbraw/zinc/89/33/07/712893307.db2.gz HQNDZAZSWCRFMI-MRVPVSSYSA-N 1 0 202.298 0.249 10 0 BCAERO Cc1cc(C)cc(S(=O)(=O)N[C@@H]2C[C@@H]2[NH3+])c1 ZINC000041639737 177915141 /nfs/dbraw/zinc/91/51/41/177915141.db2.gz VQJVIXWNIKEPPK-WDEREUQCSA-N 1 0 240.328 0.681 10 0 BCAERO C[C@@H]1C[C@H](S(C)(=O)=O)CC[C@@H]1C[NH3+] ZINC000685955169 538900958 /nfs/dbraw/zinc/90/09/58/538900958.db2.gz VMSXJVFWIZEWAJ-IWSPIJDZSA-N 1 0 205.323 0.795 10 0 BCAERO CCS(=O)(=O)[C@@H]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000685955360 538900981 /nfs/dbraw/zinc/90/09/81/538900981.db2.gz YHRLGORVADPCSY-YIZRAAEISA-N 1 0 205.323 0.937 10 0 BCAERO CCS(=O)(=O)[C@@H]1CC[C@@H](C)C[C@H]1[NH3+] ZINC000685955402 538901322 /nfs/dbraw/zinc/90/13/22/538901322.db2.gz ZBLIWMGYXUJJGT-IWSPIJDZSA-N 1 0 205.323 0.937 10 0 BCAERO C[NH+](C)C(C)(C)COCC(F)(F)C[NH3+] ZINC000685955881 538901820 /nfs/dbraw/zinc/90/18/20/538901820.db2.gz GLSBQJPYJCZBOS-UHFFFAOYSA-N 1 0 210.268 0.937 10 0 BCAERO C[C@H]1COC[C@H]1N(C)CC(F)(F)CN ZINC000685957034 538903325 /nfs/dbraw/zinc/90/33/25/538903325.db2.gz KSGKZLFQBLPISJ-JGVFFNPUSA-N 1 0 208.252 0.547 10 0 BCAERO CNCC(F)(F)COCCC[NH+](C)C ZINC000685957522 538904945 /nfs/dbraw/zinc/90/49/45/538904945.db2.gz ZXZDZHCPBCFDJQ-UHFFFAOYSA-N 1 0 210.268 0.809 10 0 BCAERO CC(C)[NH2+]CC[C@@H](CO)[C@H]1CCS(=O)(=O)C1 ZINC000685960844 538907826 /nfs/dbraw/zinc/90/78/26/538907826.db2.gz FGBADDMPMUDYAT-QWRGUYRKSA-N 1 0 249.376 0.418 10 0 BCAERO COCC[NH2+]CC[C@@H](CO)[C@@H]1CCCOC1 ZINC000685960792 538908110 /nfs/dbraw/zinc/90/81/10/538908110.db2.gz CLBSLSUOQRLYBV-NWDGAFQWSA-N 1 0 231.336 0.648 10 0 BCAERO COC(=O)[C@H](C)CN(C)C(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000227804309 398138022 /nfs/dbraw/zinc/13/80/22/398138022.db2.gz OHPSUZOSHCAUFW-OPRDCNLKSA-N 1 0 242.319 0.381 10 0 BCAERO CCOC(=O)c1n[nH]nc1[C@@H](C)C1C[NH2+]C1 ZINC000685953069 538896877 /nfs/dbraw/zinc/89/68/77/538896877.db2.gz JKJUGTVHARIYAS-LURJTMIESA-N 1 0 224.264 0.304 10 0 BCAERO O=C(NCCCCn1ccnc1)[C@@H]1CC[NH2+]C1 ZINC000062116672 349438256 /nfs/dbraw/zinc/43/82/56/349438256.db2.gz GWOUDROUSFJFEB-LLVKDONJSA-N 1 0 236.319 0.389 10 0 BCAERO COc1ccc(NC(=O)[C@@H]2CC[NH2+]C2)cc1O ZINC000062113967 349438353 /nfs/dbraw/zinc/43/83/53/349438353.db2.gz RDPORXFNPKVUOB-MRVPVSSYSA-N 1 0 236.271 0.949 10 0 BCAERO Cc1cc(C)n2cc(CN3CC[C@H]([NH3+])C3)nc2n1 ZINC000050243052 177934116 /nfs/dbraw/zinc/93/41/16/177934116.db2.gz RKSWXWYVOAPMIG-NSHDSACASA-N 1 0 245.330 0.879 10 0 BCAERO CC(C)(C)S(=O)(=O)CCn1cnc(N)c1 ZINC000685965659 538912244 /nfs/dbraw/zinc/91/22/44/538912244.db2.gz NWODAUJNALXKSZ-UHFFFAOYSA-N 1 0 231.321 0.679 10 0 BCAERO Cn1c(C[NH3+])nnc1SC(F)(F)F ZINC000070944505 398141341 /nfs/dbraw/zinc/14/13/41/398141341.db2.gz XFRDXWOWIPLAOR-UHFFFAOYSA-N 1 0 212.200 0.886 10 0 BCAERO Cc1cc(CC[NH3+])nc(N2CCCC2)n1 ZINC000020388606 177962619 /nfs/dbraw/zinc/96/26/19/177962619.db2.gz SMWXFUYKHKUUNR-UHFFFAOYSA-N 1 0 206.293 0.886 10 0 BCAERO Cc1cc(C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)nn1C ZINC000300952825 349473769 /nfs/dbraw/zinc/47/37/69/349473769.db2.gz UKIZHYQJVTYWJL-VXNVDRBHSA-N 1 0 222.292 0.148 10 0 BCAERO [NH3+]CCN1CC[C@H](Nc2ccccn2)C1 ZINC000616612101 349477518 /nfs/dbraw/zinc/47/75/18/349477518.db2.gz MBJIXKDQBHMFSE-JTQLQIEISA-N 1 0 206.293 0.527 10 0 BCAERO CC(C)(O)C[NH2+][C@H](CO)Cc1ccccc1 ZINC000063219324 349508593 /nfs/dbraw/zinc/50/85/93/349508593.db2.gz XIXJUWYPAHFAQK-LBPRGKRZSA-N 1 0 223.316 0.951 10 0 BCAERO C[C@@H](Nc1nnnn1C)[C@H]1CCC[NH2+]C1 ZINC000062939406 349502401 /nfs/dbraw/zinc/50/24/01/349502401.db2.gz HOAQZMRDAQCLEH-SFYZADRCSA-N 1 0 210.285 0.010 10 0 BCAERO CN(C(=O)[C@@H]1C[NH2+]CCOC1)c1cccnc1 ZINC000649334247 398150491 /nfs/dbraw/zinc/15/04/91/398150491.db2.gz WVCCJAPNNKBZTP-SNVBAGLBSA-N 1 0 235.287 0.280 10 0 BCAERO O=C(CC[C@H]1CCC[NH2+]1)N1C[C@@H]2C[C@@H]2C1 ZINC000379553807 398153838 /nfs/dbraw/zinc/15/38/38/398153838.db2.gz YGWKUNJPRSCMLC-OUAUKWLOSA-N 1 0 208.305 0.997 10 0 BCAERO Cc1cc(CNC(=O)C2CC[NH2+]CC2)no1 ZINC000044727108 178011694 /nfs/dbraw/zinc/01/16/94/178011694.db2.gz GXSSLCINKWQYBN-UHFFFAOYSA-N 1 0 223.276 0.599 10 0 BCAERO Cc1cc(C[NH2+]CC(N)=O)cc(C)c1O ZINC000020306438 178020887 /nfs/dbraw/zinc/02/08/87/178020887.db2.gz MJESJCLFNPVJGO-UHFFFAOYSA-N 1 0 208.261 0.584 10 0 BCAERO CN(C[C@@H]1CCCO1)C(=O)[C@H]1CCC[NH2+]C1 ZINC000042465751 398171789 /nfs/dbraw/zinc/17/17/89/398171789.db2.gz MJGRCZLEMJCRDH-QWRGUYRKSA-N 1 0 226.320 0.623 10 0 BCAERO Cc1cc(C[NH2+][C@H](C)C(N)=O)c(C)n1C ZINC000052789852 178036723 /nfs/dbraw/zinc/03/67/23/178036723.db2.gz NGNWQTMDMKFIIJ-MRVPVSSYSA-N 1 0 209.293 0.605 10 0 BCAERO C[C@@H]1CN(Cc2ccc(N)nc2)C[C@@H]1[NH3+] ZINC000390451319 398173953 /nfs/dbraw/zinc/17/39/53/398173953.db2.gz ZQJTUIMHLQPNOX-SCZZXKLOSA-N 1 0 206.293 0.273 10 0 BCAERO OC[C@@H]1CCC[N@@H+]1C[C@H]1CCC[C@H](O)C1 ZINC000379891719 398175216 /nfs/dbraw/zinc/17/52/16/398175216.db2.gz AVLVWBPIGZBHSX-SRVKXCTJSA-N 1 0 213.321 0.994 10 0 BCAERO Cc1cc(C[C@@H](C)[NH3+])nc(CS(C)(=O)=O)n1 ZINC000054835202 178055402 /nfs/dbraw/zinc/05/54/02/178055402.db2.gz DVFWKMHFAJPUHR-SSDOTTSWSA-N 1 0 243.332 0.219 10 0 BCAERO CN(Cc1ccccn1)C(=O)[C@@H]1C[NH2+]CCOC1 ZINC000649354206 398167405 /nfs/dbraw/zinc/16/74/05/398167405.db2.gz PRUNWNYEVIBMMN-LLVKDONJSA-N 1 0 249.314 0.276 10 0 BCAERO Cc1nc[nH]c1CNC(=O)C[C@H]([NH3+])C(C)C ZINC000380208432 398191391 /nfs/dbraw/zinc/19/13/91/398191391.db2.gz GSSRCAHUPRCAOP-VIFPVBQESA-N 1 0 224.308 0.708 10 0 BCAERO CN(CC(F)(F)F)C(=O)[C@H]1C[NH2+]CCOC1 ZINC000649373820 398184174 /nfs/dbraw/zinc/18/41/74/398184174.db2.gz DBPBYLRNYRNIIV-ZETCQYMHSA-N 1 0 240.225 0.243 10 0 BCAERO CC(C)(C)[C@H](O)C[NH2+]C1COCCOC1 ZINC000380091351 398184183 /nfs/dbraw/zinc/18/41/83/398184183.db2.gz IYDJUDHPQNWQJY-SNVBAGLBSA-N 1 0 217.309 0.398 10 0 BCAERO Cc1c([C@@H]2[C@H](C[NH3+])CC(=O)N2C)cnn1C ZINC000309520216 136219122 /nfs/dbraw/zinc/21/91/22/136219122.db2.gz XYIGPQJPHDFMQC-KWQFWETISA-N 1 0 222.292 0.207 10 0 BCAERO C[C@H]1CN(C(=O)c2cccnc2)C[C@H]1C[NH3+] ZINC000638892558 398203780 /nfs/dbraw/zinc/20/37/80/398203780.db2.gz JGZPWHVGLGDYCK-GXSJLCMTSA-N 1 0 219.288 0.748 10 0 BCAERO CC(C)OCCC[N@@H+]1C[C@H](O)C[C@@H]1CO ZINC000185170793 136219923 /nfs/dbraw/zinc/21/99/23/136219923.db2.gz MTRYJSGIDKVJKV-GHMZBOCLSA-N 1 0 217.309 0.229 10 0 BCAERO Cc1ccc(CN(C)[C@H]2C[NH2+]C[C@@H]2O)cc1 ZINC000082524377 136221671 /nfs/dbraw/zinc/22/16/71/136221671.db2.gz UGBJGDSMIFSIST-STQMWFEESA-N 1 0 220.316 0.760 10 0 BCAERO Cc1cc(NC(=O)[C@@H]2CC[NH2+]C2)n(C)n1 ZINC000062112434 178145172 /nfs/dbraw/zinc/14/51/72/178145172.db2.gz OJDOELXHQKYCGW-MRVPVSSYSA-N 1 0 208.265 0.277 10 0 BCAERO C[C@H](CO)C[NH2+][C@@H](CO)c1ccccc1 ZINC000163242588 538927214 /nfs/dbraw/zinc/92/72/14/538927214.db2.gz BHEQHLUANOJCTC-JQWIXIFHSA-N 1 0 209.289 0.938 10 0 BCAERO CN1CC[NH2+][C@H](CNC(=O)OC(C)(C)C)C1 ZINC000074941719 398210757 /nfs/dbraw/zinc/21/07/57/398210757.db2.gz ZXJIRAYROLCSLH-SECBINFHSA-N 1 0 229.324 0.415 10 0 BCAERO C[C@@H]1OCC[C@@H]1[S@](=O)C1CC[NH2+]CC1 ZINC000306578946 398213222 /nfs/dbraw/zinc/21/32/22/398213222.db2.gz MWFPFCXOPMUELO-QEVYDEPDSA-N 1 0 217.334 0.665 10 0 BCAERO Cc1cc(NC[C@H]2CCC[NH2+]2)n2ncnc2n1 ZINC000053255135 178169151 /nfs/dbraw/zinc/16/91/51/178169151.db2.gz OIGNARLDRNLHQQ-SECBINFHSA-N 1 0 232.291 0.597 10 0 BCAERO C[NH2+]C1(CNC(=O)[C@@H]2OCC[C@@H]2C)CCC1 ZINC000386907982 398222300 /nfs/dbraw/zinc/22/23/00/398222300.db2.gz PPYXMKUHUVTHHI-VHSXEESVSA-N 1 0 226.320 0.670 10 0 BCAERO Cc1cc(NN)[nH+]c(-c2cnn(C)c2)n1 ZINC000051168369 178177733 /nfs/dbraw/zinc/17/77/33/178177733.db2.gz IMRNROWGWQCGDR-UHFFFAOYSA-N 1 0 204.237 0.471 10 0 BCAERO Nc1cc[nH+]cc1C(=O)N1CCn2ccnc2C1 ZINC000127685087 398222429 /nfs/dbraw/zinc/22/24/29/398222429.db2.gz XWAZAVTXLRKKBR-UHFFFAOYSA-N 1 0 243.270 0.516 10 0 BCAERO COCCCNC(=O)[C@H]1CCC[C@H]1[NH3+] ZINC000082920428 136222093 /nfs/dbraw/zinc/22/20/93/136222093.db2.gz CWXUBKBBHAWESL-DTWKUNHWSA-N 1 0 200.282 0.267 10 0 BCAERO CNS(=O)(=O)c1ccc(CCC[NH3+])cc1 ZINC000020269672 538930853 /nfs/dbraw/zinc/93/08/53/538930853.db2.gz OXMVZORJLQTWJU-UHFFFAOYSA-N 1 0 228.317 0.486 10 0 BCAERO CO[C@@H]1CC[NH2+]C[C@H]1CC(=O)N1CCCC1 ZINC000616589031 349521497 /nfs/dbraw/zinc/52/14/97/349521497.db2.gz FUUXQXXMFPBYNN-GHMZBOCLSA-N 1 0 226.320 0.623 10 0 BCAERO Cc1cc(SC[C@H](O)C[NH3+])n(C)n1 ZINC000052310124 178218665 /nfs/dbraw/zinc/21/86/65/178218665.db2.gz DRGVZJQKNGZRCW-SSDOTTSWSA-N 1 0 201.295 0.140 10 0 BCAERO Cc1cc(SC[C@@](C)([NH3+])C(N)=O)n(C)n1 ZINC000052312274 178218953 /nfs/dbraw/zinc/21/89/53/178218953.db2.gz XMVHTNOJOKXZDR-SECBINFHSA-N 1 0 228.321 0.023 10 0 BCAERO COCC1(NC(=O)C[C@H]([NH3+])C(C)C)CC1 ZINC000381195167 398232913 /nfs/dbraw/zinc/23/29/13/398232913.db2.gz ZUIVEOVOONRYLJ-VIFPVBQESA-N 1 0 214.309 0.655 10 0 BCAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)c1ccn(C)c(=O)c1 ZINC000193639447 136228872 /nfs/dbraw/zinc/22/88/72/136228872.db2.gz AFKFKVLVYXYFKX-GXSJLCMTSA-N 1 0 249.314 0.256 10 0 BCAERO C[C@H]1[NH2+]CCC[C@@H]1C(=O)Nc1nc[nH]n1 ZINC000645409837 398248241 /nfs/dbraw/zinc/24/82/41/398248241.db2.gz DZOXUEIAHRGUSI-RQJHMYQMSA-N 1 0 209.253 0.131 10 0 BCAERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)Nc1nc[nH]n1 ZINC000645409836 398248300 /nfs/dbraw/zinc/24/83/00/398248300.db2.gz DZOXUEIAHRGUSI-NKWVEPMBSA-N 1 0 209.253 0.131 10 0 BCAERO Cc1cc2[nH+]c(N)n(CC(N)=O)c2cc1C ZINC000075414908 178302085 /nfs/dbraw/zinc/30/20/85/178302085.db2.gz BINDJVDPNWKYSY-UHFFFAOYSA-N 1 0 218.260 0.721 10 0 BCAERO Cc1cc2ncc([C@H](C)[NH2+]CC(N)=O)c(C)n2n1 ZINC000020083405 178303495 /nfs/dbraw/zinc/30/34/95/178303495.db2.gz HNCQSDBNAKQQPV-QMMMGPOBSA-N 1 0 247.302 0.482 10 0 BCAERO Cc1cc2nnc(C3CC[NH2+]CC3)n2cn1 ZINC000050194623 178305687 /nfs/dbraw/zinc/30/56/87/178305687.db2.gz NDZHLJVJWMETKR-UHFFFAOYSA-N 1 0 217.276 0.900 10 0 BCAERO CCC[NH2+][C@H]1CCN(S(C)(=O)=O)C[C@@H]1C ZINC000168070062 538944329 /nfs/dbraw/zinc/94/43/29/538944329.db2.gz KUQKCFMHZXTYIK-UWVGGRQHSA-N 1 0 234.365 0.656 10 0 BCAERO O=C(CC[C@H]1CCC[NH2+]1)Nc1cncnc1 ZINC000381343512 398253611 /nfs/dbraw/zinc/25/36/11/398253611.db2.gz YDJBQZNGFILSHO-SECBINFHSA-N 1 0 220.276 0.947 10 0 BCAERO C[C@@H]1OCC[C@H]1NC(=O)[C@H]1[NH2+]CC1(C)C ZINC000390790953 398249622 /nfs/dbraw/zinc/24/96/22/398249622.db2.gz BZHYQTFXMDAANE-DJLDLDEBSA-N 1 0 212.293 0.278 10 0 BCAERO C[NH2+][C@@H](C)CNC(=O)[C@@H](C)OCC1CC1 ZINC000381536684 398262725 /nfs/dbraw/zinc/26/27/25/398262725.db2.gz FWBAWWBSRKQBGH-DTWKUNHWSA-N 1 0 214.309 0.526 10 0 BCAERO C[C@@H]1CO[C@@H](CO)CN1C[C@@H]1CCC[N@@H+]1C ZINC000386338003 398264789 /nfs/dbraw/zinc/26/47/89/398264789.db2.gz RFDPEQSOTMMTKR-GRYCIOLGSA-N 1 0 228.336 0.162 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)N2C[C@@H]([NH3+])C[C@H]2C)O1 ZINC000385094146 398261255 /nfs/dbraw/zinc/26/12/55/398261255.db2.gz NAUFPABBGFWRFB-DOLQZWNJSA-N 1 0 212.293 0.502 10 0 BCAERO CCOCC[C@@H](O)C[NH2+][C@@H]1CCO[C@@H]1C ZINC000378741199 346820664 /nfs/dbraw/zinc/82/06/64/346820664.db2.gz PHMMAYJOQQDFOK-GMTAPVOTSA-N 1 0 217.309 0.541 10 0 BCAERO Cc1ccc(C(=O)N(CC[NH3+])C2CC2)cn1 ZINC000041056713 178382443 /nfs/dbraw/zinc/38/24/43/178382443.db2.gz BONGFXQXICUDHG-UHFFFAOYSA-N 1 0 219.288 0.953 10 0 BCAERO COc1ccnc(N2C[C@H](C)[NH2+]C[C@@H]2C)n1 ZINC000083119076 349560645 /nfs/dbraw/zinc/56/06/45/349560645.db2.gz HYBNQBFLQYJOMY-IUCAKERBSA-N 1 0 222.292 0.672 10 0 BCAERO COC[C@H](C)NC(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000381594239 398265139 /nfs/dbraw/zinc/26/51/39/398265139.db2.gz KWEZNYOTSPPQGS-QXEWZRGKSA-N 1 0 212.293 0.137 10 0 BCAERO Cn1cc(CC(=O)C2CC[NH2+]CC2)cn1 ZINC000167675573 346831916 /nfs/dbraw/zinc/83/19/16/346831916.db2.gz AOELTAAKOGHZMW-UHFFFAOYSA-N 1 0 207.277 0.531 10 0 BCAERO Nc1ncccc1[C@H]1CC[N@H+](CCO)C1 ZINC000616613002 349601495 /nfs/dbraw/zinc/60/14/95/349601495.db2.gz GFFIYYFFJAQUIT-VIFPVBQESA-N 1 0 207.277 0.445 10 0 BCAERO CCCCS(=O)(=O)NC[C@H]1CC[C@@H]([NH3+])C1 ZINC000035904919 538958266 /nfs/dbraw/zinc/95/82/66/538958266.db2.gz DKBMUILSFHLRMS-VHSXEESVSA-N 1 0 234.365 0.833 10 0 BCAERO [NH3+]CCN1CC[C@H](c2ccc(CO)cc2)C1 ZINC000616612986 349593980 /nfs/dbraw/zinc/59/39/80/349593980.db2.gz UQVNFUBYNRKTLC-ZDUSSCGKSA-N 1 0 220.316 0.927 10 0 BCAERO [NH3+][C@@H]1CC[C@@H](C(=O)N[C@@H]2CCCOCC2)C1 ZINC000309589476 342715743 /nfs/dbraw/zinc/71/57/43/342715743.db2.gz YHAIHXZROZJMPD-GMTAPVOTSA-N 1 0 226.320 0.799 10 0 BCAERO C[C@H]([NH3+])CNC(=O)c1[nH]ncc1Br ZINC000306653496 361860963 /nfs/dbraw/zinc/86/09/63/361860963.db2.gz GWVOZVCBENOYSQ-BYPYZUCNSA-N 1 0 247.096 0.249 10 0 BCAERO CCOC(=O)CC[C@@H](C(N)=[NH2+])C(=O)OCC ZINC000144606292 342747737 /nfs/dbraw/zinc/74/77/37/342747737.db2.gz KHHQOQKSXPQQRW-ZETCQYMHSA-N 1 0 230.264 0.445 10 0 BCAERO [NH3+]C1CCN(CC(=O)c2cscn2)CC1 ZINC000306656809 361865333 /nfs/dbraw/zinc/86/53/33/361865333.db2.gz COFHCYWCUSHTHL-UHFFFAOYSA-N 1 0 225.317 0.749 10 0 BCAERO CC(C)(C)CNC(=O)[C@H]1CSCC[NH2+]1 ZINC000126839439 342730398 /nfs/dbraw/zinc/73/03/98/342730398.db2.gz NYNDBKXBSONCLU-MRVPVSSYSA-N 1 0 216.350 0.854 10 0 BCAERO COC(=O)c1cncc(N[C@@H](C)C[C@H](C)[NH3+])n1 ZINC000320413429 342733697 /nfs/dbraw/zinc/73/36/97/342733697.db2.gz WSYGNEKPGXOJAM-YUMQZZPRSA-N 1 0 238.291 0.801 10 0 BCAERO Nc1[nH+]ccn1CC(=O)NCc1ccccc1 ZINC000038417744 538967036 /nfs/dbraw/zinc/96/70/36/538967036.db2.gz KUVQQVSVDLHXDN-UHFFFAOYSA-N 1 0 230.271 0.782 10 0 BCAERO CCN(C)C(=O)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1O ZINC000231849339 342740039 /nfs/dbraw/zinc/74/00/39/342740039.db2.gz QRPFMKCRFOVGTE-HBNTYKKESA-N 1 0 228.336 0.746 10 0 BCAERO Nc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)ccc1O ZINC000003988804 342740319 /nfs/dbraw/zinc/74/03/19/342740319.db2.gz LJSXLBOWXISZSL-DVVUODLYSA-N 1 0 247.298 0.597 10 0 BCAERO FC(F)(F)COCCCN[C@@H]1CC[NH2+]C1 ZINC000309616407 342754307 /nfs/dbraw/zinc/75/43/07/342754307.db2.gz FKHAUJIOEPBIMH-MRVPVSSYSA-N 1 0 226.242 0.907 10 0 BCAERO [NH3+]Cc1ccnc2c(Br)cnn21 ZINC000143586903 361876527 /nfs/dbraw/zinc/87/65/27/361876527.db2.gz LZPLTMRKPUNPMS-UHFFFAOYSA-N 1 0 227.065 0.951 10 0 BCAERO CC[C@H](C)NC(=O)C[NH2+][C@@H](C(=O)NC)C(C)C ZINC000183662107 538967395 /nfs/dbraw/zinc/96/73/95/538967395.db2.gz BMPOKOPILHBAGR-GXSJLCMTSA-N 1 0 243.351 0.261 10 0 BCAERO CNC(=O)[C@H]([NH2+]CCN1CCCCC1)C(C)C ZINC000183635342 538967514 /nfs/dbraw/zinc/96/75/14/538967514.db2.gz DGZGBAAUSDNDCQ-GFCCVEGCSA-N 1 0 241.379 0.833 10 0 BCAERO CCN(CC)C(=O)C[NH2+][C@@H](C(=O)NC)C(C)C ZINC000183683861 538967762 /nfs/dbraw/zinc/96/77/62/538967762.db2.gz CBDKZJDEOCEAPB-LLVKDONJSA-N 1 0 243.351 0.215 10 0 BCAERO [NH3+][C@H]1CC[C@@H](C(=O)Nc2cncnc2)C1 ZINC000232088582 342777726 /nfs/dbraw/zinc/77/77/26/342777726.db2.gz TZHIRLJBLLFFCY-SFYZADRCSA-N 1 0 206.249 0.543 10 0 BCAERO O=C(Nc1cnoc1)[C@H]1CSCC[NH2+]1 ZINC000126904535 342802374 /nfs/dbraw/zinc/80/23/74/342802374.db2.gz HPDYTKJDDDQXHW-SSDOTTSWSA-N 1 0 213.262 0.318 10 0 BCAERO CCOC1(OCC)CC[C@@H](CO)[NH2+]C1 ZINC000147741746 342780054 /nfs/dbraw/zinc/78/00/54/342780054.db2.gz FTZXEHOUMBPMIL-VIFPVBQESA-N 1 0 203.282 0.500 10 0 BCAERO C[C@H]1CN(C(=O)c2ccc3n[nH]cc3c2)C[C@@H]1[NH3+] ZINC000335618429 136237828 /nfs/dbraw/zinc/23/78/28/136237828.db2.gz PPELEVOURQELFE-KWQFWETISA-N 1 0 244.298 0.982 10 0 BCAERO CCN1C[C@@H](NC(=O)[C@H]([NH3+])CC(C)C)CC1=O ZINC000391590965 398285453 /nfs/dbraw/zinc/28/54/53/398285453.db2.gz ZKRXNQFMYJNTES-VHSXEESVSA-N 1 0 241.335 0.097 10 0 BCAERO C[C@@H]1C[C@H]1NC(=O)[C@@H]1CSCC[NH2+]1 ZINC000126893253 342803165 /nfs/dbraw/zinc/80/31/65/342803165.db2.gz LTUPNXCAIKTONK-PRJMDXOYSA-N 1 0 200.307 0.216 10 0 BCAERO CC[C@H](C)[NH+]1CCN(C(N)=S)CC1 ZINC000008326588 342797886 /nfs/dbraw/zinc/79/78/86/342797886.db2.gz RYRRGIRCOYWSLX-QMMMGPOBSA-N 1 0 201.339 0.646 10 0 BCAERO Nc1ncnc(N[C@H]2CCOC[C@@H]2O)c1Cl ZINC000624686985 342816190 /nfs/dbraw/zinc/81/61/90/342816190.db2.gz PAEQBDYDXUCPNS-WDSKDSINSA-N 1 0 244.682 0.274 10 0 BCAERO C([C@H]1CSCC[NH2+]1)N1CCSCC1 ZINC000127050552 342816731 /nfs/dbraw/zinc/81/67/31/342816731.db2.gz OSGGCNZJOYLPNC-VIFPVBQESA-N 1 0 218.391 0.740 10 0 BCAERO CN(C)c1nccc(C[NH2+][C@@H]2C[C@H]2CO)n1 ZINC000378679456 538973728 /nfs/dbraw/zinc/97/37/28/538973728.db2.gz UFDRREVPIRKPNW-WCBMZHEXSA-N 1 0 222.292 0.013 10 0 BCAERO CC[N@H+]1C[C@H](NCc2cc[nH]n2)[C@@H](C)C1 ZINC000379927771 538982048 /nfs/dbraw/zinc/98/20/48/538982048.db2.gz MLCLGDBWUAUIGL-ONGXEEELSA-N 1 0 208.309 0.840 10 0 BCAERO CC[N@@H+]1C[C@@H](C)[C@H](NCc2cc[nH]n2)C1 ZINC000379927770 538982301 /nfs/dbraw/zinc/98/23/01/538982301.db2.gz MLCLGDBWUAUIGL-MWLCHTKSSA-N 1 0 208.309 0.840 10 0 BCAERO CC[N@@H+]1C[C@@H](C)[C@@H](NCc2cc[nH]n2)C1 ZINC000379927769 538982330 /nfs/dbraw/zinc/98/23/30/538982330.db2.gz MLCLGDBWUAUIGL-KOLCDFICSA-N 1 0 208.309 0.840 10 0 BCAERO Cc1nnc2n1C[C@H]([NH2+][C@H]1CCOC1)CC2 ZINC000381563500 539003859 /nfs/dbraw/zinc/00/38/59/539003859.db2.gz SFHARDWEOOFEDZ-ZJUUUORDSA-N 1 0 222.292 0.280 10 0 BCAERO CC[C@@](C)(O)C[NH+]1CCC(S(C)(=O)=O)CC1 ZINC000381573184 539004056 /nfs/dbraw/zinc/00/40/56/539004056.db2.gz XCQWHKQDEJBIEU-LLVKDONJSA-N 1 0 249.376 0.656 10 0 BCAERO C[C@H]1NC(=O)CC[C@H]1[NH2+]Cc1cn(C)cn1 ZINC000381779999 539006849 /nfs/dbraw/zinc/00/68/49/539006849.db2.gz XUIGIHFEVUCGJL-PSASIEDQSA-N 1 0 222.292 0.177 10 0 BCAERO C[C@@]1(C(=O)NC2C[NH2+]C2)CCCS1 ZINC000164855189 342838686 /nfs/dbraw/zinc/83/86/86/342838686.db2.gz HGIWGWICWLDRTJ-VIFPVBQESA-N 1 0 200.307 0.360 10 0 BCAERO C[NH+](C)CC1CN(CC(F)(F)CN)C1 ZINC000382247188 539008644 /nfs/dbraw/zinc/00/86/44/539008644.db2.gz CURPXQBEOQGJQE-UHFFFAOYSA-N 1 0 207.268 0.074 10 0 BCAERO CC(=O)Nc1nnc(C2CC[NH2+]CC2)s1 ZINC000058232488 539013567 /nfs/dbraw/zinc/01/35/67/539013567.db2.gz AGNTZUIYMOHBQX-UHFFFAOYSA-N 1 0 226.305 0.964 10 0 BCAERO CCN1C(=O)C[C@@H](C[NH3+])[C@@H]1c1ccncc1 ZINC000384163559 539012588 /nfs/dbraw/zinc/01/25/88/539012588.db2.gz WJTUJUYEBRMSNH-JQWIXIFHSA-N 1 0 219.288 0.950 10 0 BCAERO Cc1nn(C)cc1[C@@H](C)[NH2+][C@@H]1CCNC1=O ZINC000381329739 538998470 /nfs/dbraw/zinc/99/84/70/538998470.db2.gz SPVHUIVIBAXARW-GMSGAONNSA-N 1 0 222.292 0.268 10 0 BCAERO CC[N@@H+]1C[C@@H](C)[C@H](NCc2ncnn2C)C1 ZINC000390459318 539021960 /nfs/dbraw/zinc/02/19/60/539021960.db2.gz FDMUEOWLQYSYSE-NXEZZACHSA-N 1 0 223.324 0.245 10 0 BCAERO COC(=O)[C@H](C)C[N@H+](C)[C@@H]1CCC[C@H]1O ZINC000251157586 536606795 /nfs/dbraw/zinc/60/67/95/536606795.db2.gz ZGPGQKQIFYZVBE-OPRDCNLKSA-N 1 0 215.293 0.641 10 0 BCAERO C[N@@H+]1CC[C@H](Cn2cc(N)ccc2=O)C1 ZINC000709401289 539027219 /nfs/dbraw/zinc/02/72/19/539027219.db2.gz GSXPNIWNYMUQHQ-VIFPVBQESA-N 1 0 207.277 0.382 10 0 BCAERO CC[NH2+][C@@H](C(N)=O)[C@H](C)n1cc(C)cn1 ZINC000710700855 539028165 /nfs/dbraw/zinc/02/81/65/539028165.db2.gz GVEREBJOPHSGFQ-DTWKUNHWSA-N 1 0 210.281 0.216 10 0 BCAERO CC[C@@H](C(N)=O)[N@@H+]1CCSC[C@@H]1C ZINC000069761442 342839496 /nfs/dbraw/zinc/83/94/96/342839496.db2.gz DFPQUWLOXYSJMW-YUMQZZPRSA-N 1 0 202.323 0.688 10 0 BCAERO O=C(N[C@H]1CCC[C@H](O)C1)[C@@H]1CCC[NH2+]1 ZINC000037000937 398298229 /nfs/dbraw/zinc/29/82/29/398298229.db2.gz FUCGFLITDNYGND-GUBZILKMSA-N 1 0 212.293 0.158 10 0 BCAERO C[C@@H]1C[C@@H](C)C[NH+](CC[C@H]([NH3+])C(=O)[O-])C1 ZINC000062439471 539016870 /nfs/dbraw/zinc/01/68/70/539016870.db2.gz YQLXXAIHZDGVKU-BBBLOLIVSA-N 1 0 214.309 0.766 10 0 BCAERO C[NH+](C)CC(=O)NC[C@@H]1CCCC[NH2+]C1 ZINC000389753233 539017087 /nfs/dbraw/zinc/01/70/87/539017087.db2.gz ZQOYJNCBPJVACL-SNVBAGLBSA-N 1 0 213.325 0.054 10 0 BCAERO CC(C)C[C@H]([NH3+])C(=O)N[C@@H]1CCC[C@H](O)C1 ZINC000037001088 398298897 /nfs/dbraw/zinc/29/88/97/398298897.db2.gz XAKHLWNNBCWYLO-VWYCJHECSA-N 1 0 228.336 0.780 10 0 BCAERO C[NH+](C)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O ZINC000059773958 342862622 /nfs/dbraw/zinc/86/26/22/342862622.db2.gz VYJCQLFIOYWZQH-IUCAKERBSA-N 1 0 230.308 0.528 10 0 BCAERO C[NH2+]C(C)(C)C(=O)N[C@H]1CCO[C@@H]1C ZINC000134549675 342864389 /nfs/dbraw/zinc/86/43/89/342864389.db2.gz PEIVAMOCHUCLBT-SFYZADRCSA-N 1 0 200.282 0.278 10 0 BCAERO COc1ncnc2[nH]c(=O)c(C[NH3+])cc21 ZINC000521399520 398304651 /nfs/dbraw/zinc/30/46/51/398304651.db2.gz SAGJTNXUQWJGIG-UHFFFAOYSA-N 1 0 206.205 0.198 10 0 BCAERO [NH3+]C1CCC(C(=O)Nc2nc[nH]n2)CC1 ZINC000308828440 342872688 /nfs/dbraw/zinc/87/26/88/342872688.db2.gz IPXOWFKNMASCHY-UHFFFAOYSA-N 1 0 209.253 0.261 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)NCC[N@H+](CC)C1CC1 ZINC000167205369 136244536 /nfs/dbraw/zinc/24/45/36/136244536.db2.gz OBRQFLCSTXCIER-LLVKDONJSA-N 1 0 227.352 0.714 10 0 BCAERO C[C@@H]([NH3+])[C@H](C)C(=O)N1CCOC[C@H]1C ZINC000165127524 342876076 /nfs/dbraw/zinc/87/60/76/342876076.db2.gz MLMBXAMQHLRBBE-HRDYMLBCSA-N 1 0 200.282 0.217 10 0 BCAERO C[C@@H]1[NH2+]CC[C@H]1C(=O)NOC(C)(C)C ZINC000134507732 342859685 /nfs/dbraw/zinc/85/96/85/342859685.db2.gz SNJJGRIBLPGTKF-JGVFFNPUSA-N 1 0 200.282 0.831 10 0 BCAERO CCCCOC[C@H](O)C[NH2+]Cc1ccncn1 ZINC000233001289 342894323 /nfs/dbraw/zinc/89/43/23/342894323.db2.gz PUXSSVNZIPOSMM-GFCCVEGCSA-N 1 0 239.319 0.744 10 0 BCAERO CCN(CC)C[C@@H](C)[NH2+][C@H](C)CC(=O)NC ZINC000167313567 136245255 /nfs/dbraw/zinc/24/52/55/136245255.db2.gz NAPWYBKHXVQYQC-GHMZBOCLSA-N 1 0 229.368 0.831 10 0 BCAERO CN(c1ncc(C[NH3+])s1)[C@@H]1CCOC1 ZINC000134786481 342888505 /nfs/dbraw/zinc/88/85/05/342888505.db2.gz RWKQZBJLSLTPAB-SSDOTTSWSA-N 1 0 213.306 0.827 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N1C[C@@H](C)OC[C@@H]1C ZINC000036873306 342912027 /nfs/dbraw/zinc/91/20/27/342912027.db2.gz FPXXSHUHHHADSX-AEJSXWLSSA-N 1 0 214.309 0.750 10 0 BCAERO C[C@@H]1C[C@@H]([N@H+](C)C(C)(C)CO)CN1C ZINC000134874368 342913441 /nfs/dbraw/zinc/91/34/41/342913441.db2.gz WKTCTSHLQMLGJD-NXEZZACHSA-N 1 0 200.326 0.782 10 0 BCAERO C[NH2+][C@H](C)C(=O)NCc1ncc(C)s1 ZINC000234430473 342925314 /nfs/dbraw/zinc/92/53/14/342925314.db2.gz AEFGDAFALAZUFI-SSDOTTSWSA-N 1 0 213.306 0.676 10 0 BCAERO C[C@@H]1C[NH2+]C/C(=C\CS(C)(=O)=O)C1 ZINC000401739024 342926922 /nfs/dbraw/zinc/92/69/22/342926922.db2.gz QPQHARVPBCSSGU-CLJBBPMWSA-N 1 0 203.307 0.587 10 0 BCAERO CC[C@@H](O)C[N@@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000173758296 346872847 /nfs/dbraw/zinc/87/28/47/346872847.db2.gz NHXOZBQCOXOPFP-ZYHUDNBSSA-N 1 0 223.320 0.980 10 0 BCAERO CCc1nnsc1C(=O)N1C[C@H](C)[C@H]([NH3+])C1 ZINC000234177587 342917273 /nfs/dbraw/zinc/91/72/73/342917273.db2.gz NEHHUYSHEAJUGA-NKWVEPMBSA-N 1 0 240.332 0.520 10 0 BCAERO O=C(C[NH2+]C1CC1)N[C@H]1CCC[C@@H](O)C1 ZINC000037477030 398327619 /nfs/dbraw/zinc/32/76/19/398327619.db2.gz OKUHIZZYDZXHRW-VHSXEESVSA-N 1 0 212.293 0.158 10 0 BCAERO O=C(C[NH2+]CC1CC1)N[C@H]1CCC[C@@H](O)C1 ZINC000037478447 398328447 /nfs/dbraw/zinc/32/84/47/398328447.db2.gz GIDFOASYNRGXPC-WDEREUQCSA-N 1 0 226.320 0.406 10 0 BCAERO CC(C)[NH2+]CCC(=O)N[C@H]1CCC[C@@H](O)C1 ZINC000037480251 398328470 /nfs/dbraw/zinc/32/84/70/398328470.db2.gz SVOIUMGUOUJWSU-WDEREUQCSA-N 1 0 228.336 0.794 10 0 BCAERO CCCC(=O)N1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000174312892 346879866 /nfs/dbraw/zinc/87/98/66/346879866.db2.gz CNAIPALQKKLYLJ-WDEREUQCSA-N 1 0 228.336 0.700 10 0 BCAERO COCCCC(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000234668465 342935835 /nfs/dbraw/zinc/93/58/35/342935835.db2.gz WXLLFETZDGWXML-RKDXNWHRSA-N 1 0 200.282 0.219 10 0 BCAERO [NH3+]CCCC(=O)NCC[C@H]1CCCO1 ZINC000038096885 398336067 /nfs/dbraw/zinc/33/60/67/398336067.db2.gz IVGTXUQUISZAIN-SECBINFHSA-N 1 0 200.282 0.411 10 0 BCAERO [NH3+]C1CCC(C(=O)N[C@@H]2CCC[C@@H](O)C2)CC1 ZINC000037626654 398333284 /nfs/dbraw/zinc/33/32/84/398333284.db2.gz RLNHAKBVNSDQDO-KIDURHIOSA-N 1 0 240.347 0.924 10 0 BCAERO COC[C@]1(C(=O)N[C@H]2C[C@H]2C)CC[NH2+]C1 ZINC000261531972 536659291 /nfs/dbraw/zinc/65/92/91/536659291.db2.gz IOLIZPWYHGLCOG-YWVKMMECSA-N 1 0 212.293 0.137 10 0 BCAERO Cn1cc(NC(=O)C2CCC([NH3+])CC2)ccc1=O ZINC000037770351 398334233 /nfs/dbraw/zinc/33/42/33/398334233.db2.gz KQOLZNPJFMKCQU-UHFFFAOYSA-N 1 0 249.314 0.841 10 0 BCAERO CC[C@@H]([NH3+])C(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000037815450 398334508 /nfs/dbraw/zinc/33/45/08/398334508.db2.gz VZFYAYWGLGUPEO-OUAUKWLOSA-N 1 0 226.320 0.894 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)N(CC)C[C@@H]1CCOC1 ZINC000037827267 398334698 /nfs/dbraw/zinc/33/46/98/398334698.db2.gz FHAQGXWAXNYNIL-WDEREUQCSA-N 1 0 228.336 0.999 10 0 BCAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)NCC[N@H+]1CC=CCC1 ZINC000392827708 398335646 /nfs/dbraw/zinc/33/56/46/398335646.db2.gz YKDYDIRRAHXDPJ-VXGBXAGGSA-N 1 0 239.363 0.738 10 0 BCAERO COC[C@@H]([NH3+])C(=O)Nc1ccc2c(c1)N(C)CC2 ZINC000261974792 536671215 /nfs/dbraw/zinc/67/12/15/536671215.db2.gz BWGHGQPDBBCSHV-LLVKDONJSA-N 1 0 249.314 0.591 10 0 BCAERO C[C@H]1[C@H](O)CCC[N@@H+]1CC(=O)N(C)C1CC1 ZINC000335598271 398341784 /nfs/dbraw/zinc/34/17/84/398341784.db2.gz WFEUUALBEYLTTI-GXSJLCMTSA-N 1 0 226.320 0.452 10 0 BCAERO CO[C@]1(C[NH2+]C[C@H](O)C(C)(C)C)CCOC1 ZINC000304196212 259334266 /nfs/dbraw/zinc/33/42/66/259334266.db2.gz BIQSNJUSHHNOPO-JQWIXIFHSA-N 1 0 231.336 0.789 10 0 BCAERO CC(C)N(C)C(=O)CN1CCC[C@@H](C[NH3+])C1 ZINC000019843141 187206392 /nfs/dbraw/zinc/20/63/92/187206392.db2.gz AXQFXHSTKYYIAK-NSHDSACASA-N 1 0 227.352 0.524 10 0 BCAERO C[C@H]([NH2+]CCn1cncn1)[C@H]1CCCO1 ZINC000053500648 346906039 /nfs/dbraw/zinc/90/60/39/346906039.db2.gz LWKYDHZMCQUILS-VHSXEESVSA-N 1 0 210.281 0.435 10 0 BCAERO CCc1nnc(C)cc1C(=O)N1C[C@H]([NH3+])[C@@H](C)C1 ZINC000234161133 259337775 /nfs/dbraw/zinc/33/77/75/259337775.db2.gz JBRDAZYEMCAJTR-KWQFWETISA-N 1 0 248.330 0.767 10 0 BCAERO C[C@@H]1CN(C(=O)C[C@H]2CCCO2)C[C@@H]1[NH3+] ZINC000235333851 343010436 /nfs/dbraw/zinc/01/04/36/343010436.db2.gz GFLKARGAUWHMBX-BBBLOLIVSA-N 1 0 212.293 0.361 10 0 BCAERO CO[C@@H]1C[NH2+][C@@H](c2nc(C3CC3)no2)C1 ZINC000021505577 343014526 /nfs/dbraw/zinc/01/45/26/343014526.db2.gz ASWIBTMGLOTJQK-JGVFFNPUSA-N 1 0 209.249 0.996 10 0 BCAERO Cc1cnc(C(=O)N2C[C@@H](C)[C@@H]([NH3+])C2)cn1 ZINC000235379181 343011294 /nfs/dbraw/zinc/01/12/94/343011294.db2.gz ZRSKQDKYUCDKSI-APPZFPTMSA-N 1 0 220.276 0.204 10 0 BCAERO Cc1cnn(CCNC(=O)[C@H]2CC[NH2+][C@@H]2C)c1 ZINC000235582158 343048022 /nfs/dbraw/zinc/04/80/22/343048022.db2.gz VFMXMCKMDFXYHI-MNOVXSKESA-N 1 0 236.319 0.306 10 0 BCAERO Cc1ncoc1C(=O)N1C[C@H]([NH3+])[C@@H](C)C1 ZINC000235633876 343054910 /nfs/dbraw/zinc/05/49/10/343054910.db2.gz OOUIKVFWQLQTPL-XPUUQOCRSA-N 1 0 209.249 0.402 10 0 BCAERO NC(=S)C[N@@H+]1CCO[C@H]2CCC[C@H]21 ZINC000043425441 343066830 /nfs/dbraw/zinc/06/68/30/343066830.db2.gz KSNTXMSSLCAQSC-SFYZADRCSA-N 1 0 200.307 0.526 10 0 BCAERO Cc1cnn(CCNC(=O)[C@H]2CC[C@@H]([NH3+])C2)c1 ZINC000235940972 343067472 /nfs/dbraw/zinc/06/74/72/343067472.db2.gz CSJRPCMFSZDWDV-WDEREUQCSA-N 1 0 236.319 0.435 10 0 BCAERO COc1cc(O)cc(OC)c1[C@@H](N)C[NH3+] ZINC000072200812 343069572 /nfs/dbraw/zinc/06/95/72/343069572.db2.gz ALUDDPXYFIJYCY-ZETCQYMHSA-N 1 0 212.249 0.368 10 0 BCAERO CC(=O)CC[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000106176755 259349262 /nfs/dbraw/zinc/34/92/62/259349262.db2.gz FWGOPHGVNHHKFB-GFCCVEGCSA-N 1 0 236.319 0.969 10 0 BCAERO C[NH2+]C[C@@H](O)CN(C)C(=O)C1CCCC1 ZINC000584880532 343081238 /nfs/dbraw/zinc/08/12/38/343081238.db2.gz CNXUDUNUSULYHE-SNVBAGLBSA-N 1 0 214.309 0.215 10 0 BCAERO CC[NH2+]C[C@@H](O)CN(C)C(=O)OC(C)(C)C ZINC000584880533 343081313 /nfs/dbraw/zinc/08/13/13/343081313.db2.gz CQXMKIUEOYFKCI-SECBINFHSA-N 1 0 232.324 0.824 10 0 BCAERO Nc1n[nH]c(SC[C@@H]2CCC[NH2+]C2)n1 ZINC000043471842 343083869 /nfs/dbraw/zinc/08/38/69/343083869.db2.gz YZOPHRLOIIJEOK-ZCFIWIBFSA-N 1 0 213.310 0.479 10 0 BCAERO CC(C)[NH2+]C[C@@H](O)C[C@@](C)(O)C(F)F ZINC000584883455 343086168 /nfs/dbraw/zinc/08/61/68/343086168.db2.gz OAIKMLMJESAXEU-IONNQARKSA-N 1 0 211.252 0.752 10 0 BCAERO CO[C@H]1CCCN(C(=O)[C@@]2(C)CCC[NH2+]2)C1 ZINC000119634105 343088454 /nfs/dbraw/zinc/08/84/54/343088454.db2.gz WUEULTCCKLXXFK-CMPLNLGQSA-N 1 0 226.320 0.766 10 0 BCAERO COC(=O)c1cn(C2CC[NH2+]CC2)nc1C ZINC000260331390 343076752 /nfs/dbraw/zinc/07/67/52/343076752.db2.gz FOWJKBIBEUPGRX-UHFFFAOYSA-N 1 0 223.276 0.903 10 0 BCAERO CO[C@@H]1CCC[C@H](OC[C@H]2C[NH2+]CCO2)C1 ZINC000250440317 343076930 /nfs/dbraw/zinc/07/69/30/343076930.db2.gz AGFPYZZBBMOBMQ-GRYCIOLGSA-N 1 0 229.320 0.949 10 0 BCAERO COCC[N@@H+]1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000177229266 346924292 /nfs/dbraw/zinc/92/42/92/346924292.db2.gz DFVKRNDEUSPOLP-NEPJUHHUSA-N 1 0 228.336 0.285 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N(C)CC1CCOCC1 ZINC000082545459 362056771 /nfs/dbraw/zinc/05/67/71/362056771.db2.gz RWXVZUAGTVMRKX-NSHDSACASA-N 1 0 228.336 0.999 10 0 BCAERO CC(C)(C)OC(=O)N1CC[C@H](CO)[C@H]([NH3+])C1 ZINC000114315528 259350818 /nfs/dbraw/zinc/35/08/18/259350818.db2.gz LRCPRHFAAYJMHG-RKDXNWHRSA-N 1 0 230.308 0.563 10 0 BCAERO CC(C)C[C@H](CN(C)C)[NH2+]CCC(N)=O ZINC000049555516 343111840 /nfs/dbraw/zinc/11/18/40/343111840.db2.gz VJUNFLORZZQEKO-SNVBAGLBSA-N 1 0 215.341 0.428 10 0 BCAERO CCOC(=O)[C@@H]1C[NH2+]CCN1C(C)C ZINC000039018398 343111881 /nfs/dbraw/zinc/11/18/81/343111881.db2.gz UXGULSVTGHOHMG-VIFPVBQESA-N 1 0 200.282 0.232 10 0 BCAERO C[C@@H](C(N)=S)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000043513761 343116848 /nfs/dbraw/zinc/11/68/48/343116848.db2.gz GRMRNLXBBVNVCW-PRJMDXOYSA-N 1 0 202.323 0.770 10 0 BCAERO Cn1ncnc1NC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000127543859 343178638 /nfs/dbraw/zinc/17/86/38/343178638.db2.gz JAWNIBWKRZHPCE-SNVBAGLBSA-N 1 0 223.280 0.286 10 0 BCAERO CCOC(=O)CC[C@@H]1CC[C@H](C(=O)OC)C[NH2+]1 ZINC000145425449 343179545 /nfs/dbraw/zinc/17/95/45/343179545.db2.gz UIIQYITZAOQOIK-UWVGGRQHSA-N 1 0 243.303 0.871 10 0 BCAERO CC[C@@H](CCO)CNC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000094955761 343154506 /nfs/dbraw/zinc/15/45/06/343154506.db2.gz XAEXIVDWJAACJT-RYUDHWBXSA-N 1 0 242.363 0.901 10 0 BCAERO COC(=O)c1ccc(N[C@H]2CC[NH2+]C2)nc1C ZINC000124433713 343167992 /nfs/dbraw/zinc/16/79/92/343167992.db2.gz NMFZPQYWLFFWHK-VIFPVBQESA-N 1 0 235.287 0.950 10 0 BCAERO CC(C)NS(=O)(=O)c1ccc(C[NH3+])nc1 ZINC000145999973 343197888 /nfs/dbraw/zinc/19/78/88/343197888.db2.gz DJGDFLZSDFUTDK-UHFFFAOYSA-N 1 0 229.305 0.227 10 0 BCAERO CO[C@H]1C[NH2+][C@@H](C(=O)N2Cc3ccccc3C2)C1 ZINC000050912468 343222037 /nfs/dbraw/zinc/22/20/37/343222037.db2.gz MKGGTTCWVGZUPN-CHWSQXEVSA-N 1 0 246.310 0.906 10 0 BCAERO CCC[C@H](O)CNC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000158155102 343200713 /nfs/dbraw/zinc/20/07/13/343200713.db2.gz DBIKUOVHBABQOF-UTLUCORTSA-N 1 0 214.309 0.391 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@]1(C)CCOC1 ZINC000163293848 343206188 /nfs/dbraw/zinc/20/61/88/343206188.db2.gz RGQBPCCYXOMOBB-FXPVBKGRSA-N 1 0 212.293 0.137 10 0 BCAERO CCOC(=O)c1cnc(N[C@H](C)C[NH3+])nc1C ZINC000134316074 343194253 /nfs/dbraw/zinc/19/42/53/343194253.db2.gz TXPJDXATDMNUAL-SSDOTTSWSA-N 1 0 238.291 0.721 10 0 BCAERO CN(C(=O)C[C@H]1CCC[NH2+]C1)[C@H]1CCOC1 ZINC000134690552 343195007 /nfs/dbraw/zinc/19/50/07/343195007.db2.gz OIKYDQHONJVAGC-MNOVXSKESA-N 1 0 226.320 0.623 10 0 BCAERO COC[C@@H]([NH3+])C(=O)Nc1ccc(O)cc1 ZINC000088003116 136282624 /nfs/dbraw/zinc/28/26/24/136282624.db2.gz VICJUAVHKCFZNU-SECBINFHSA-N 1 0 210.233 0.304 10 0 BCAERO CCC[C@H](CC)NC(=O)[C@H]([NH3+])COC ZINC000088004026 136283076 /nfs/dbraw/zinc/28/30/76/136283076.db2.gz ORJUKYPAOMQEGA-DTWKUNHWSA-N 1 0 202.298 0.655 10 0 BCAERO CC(C)C[C@H]([NH3+])C(=O)N1CCOC[C@H]1C ZINC000035776614 187250028 /nfs/dbraw/zinc/25/00/28/187250028.db2.gz PJXJKFQQVYXOJB-ZJUUUORDSA-N 1 0 214.309 0.607 10 0 BCAERO COC[C@H](O)C[N@@H+]1CCC[C@@H]1CCCO ZINC000068891245 343251713 /nfs/dbraw/zinc/25/17/13/343251713.db2.gz MYBCPEOGRYJTPA-GHMZBOCLSA-N 1 0 217.309 0.231 10 0 BCAERO CC(=O)N1CCC([NH2+]C2CCN(C)CC2)CC1 ZINC000034996621 343282791 /nfs/dbraw/zinc/28/27/91/343282791.db2.gz VJMIREAOHYBTBN-UHFFFAOYSA-N 1 0 239.363 0.681 10 0 BCAERO [NH3+][C@H]1COC[C@@H]1C(=O)Cc1cncs1 ZINC000226611100 343262377 /nfs/dbraw/zinc/26/23/77/343262377.db2.gz YNVJCAUHNXKKSJ-YUMQZZPRSA-N 1 0 212.274 0.228 10 0 BCAERO CC(C)C[C@@H]([NH3+])C(=O)N1CCC[C@H](C(N)=O)C1 ZINC000019510382 187252782 /nfs/dbraw/zinc/25/27/82/187252782.db2.gz ZGVRDNHZUCTPOC-VHSXEESVSA-N 1 0 241.335 0.084 10 0 BCAERO CC(C)(C[NH3+])N1CCN(CC(F)(F)F)CC1 ZINC000022218176 187254964 /nfs/dbraw/zinc/25/49/64/187254964.db2.gz USKUTJSRTSKUGK-UHFFFAOYSA-N 1 0 239.285 0.904 10 0 BCAERO Cn1ccnc1[C@](O)(C[NH3+])C(F)(F)F ZINC000038342166 343374191 /nfs/dbraw/zinc/37/41/91/343374191.db2.gz MRBXBAOOLCXJNF-ZCFIWIBFSA-N 1 0 209.171 0.129 10 0 BCAERO C[C@@H]1C[C@@H](NC(=O)[C@@H]2C[NH2+]C[C@H]2C)[C@H](C)O1 ZINC000395038316 362175051 /nfs/dbraw/zinc/17/50/51/362175051.db2.gz CNIUTTMBNXLKIZ-KAMPLNKDSA-N 1 0 226.320 0.524 10 0 BCAERO CC(C)[N@@H+]1CCO[C@H](Cn2cncn2)C1 ZINC000070941858 343339243 /nfs/dbraw/zinc/33/92/43/343339243.db2.gz UBEQTUARODNYDX-JTQLQIEISA-N 1 0 210.281 0.387 10 0 BCAERO [NH3+]C1(CC(=O)NCC[C@@H]2CCCO2)CC1 ZINC000398135239 488212185 /nfs/dbraw/zinc/21/21/85/488212185.db2.gz XMPZUTIKEMOPTR-VIFPVBQESA-N 1 0 212.293 0.553 10 0 BCAERO CC[C@@H]1C[C@]2(CCO1)OC[C@H](C[NH3+])O2 ZINC000134991972 343352434 /nfs/dbraw/zinc/35/24/34/343352434.db2.gz BKGVAYFDXKWANK-KXUCPTDWSA-N 1 0 201.266 0.646 10 0 BCAERO [NH3+][C@H]1CCC2(C[C@@H]1OC1COC1)OCCO2 ZINC000165453876 343352716 /nfs/dbraw/zinc/35/27/16/343352716.db2.gz GWRFCUCIHMUQLF-UWVGGRQHSA-N 1 0 229.276 0.025 10 0 BCAERO CC(=O)N1CCC([NH2+]Cc2c[nH]nc2C)CC1 ZINC000035274049 187258239 /nfs/dbraw/zinc/25/82/39/187258239.db2.gz JTDNHDAXOLKSSY-UHFFFAOYSA-N 1 0 236.319 0.819 10 0 BCAERO CC(C)C[C@@H]([NH3+])C(=O)N(C)C1CCOCC1 ZINC000036321035 187259010 /nfs/dbraw/zinc/25/90/10/187259010.db2.gz WFZVUXJDGMHGMP-LLVKDONJSA-N 1 0 228.336 0.997 10 0 BCAERO CC(C)(CO)[NH2+]Cc1nc2ccccc2c(=O)[nH]1 ZINC000035102021 187257626 /nfs/dbraw/zinc/25/76/26/187257626.db2.gz NYMYKHKLQDCVCE-UHFFFAOYSA-N 1 0 247.298 0.784 10 0 BCAERO O=C(CN1CC[NH2+]CC1)c1ccc2c(c1)CCN2 ZINC000041619746 343422287 /nfs/dbraw/zinc/42/22/87/343422287.db2.gz IRNJEYJAVVUCTE-UHFFFAOYSA-N 1 0 245.326 0.743 10 0 BCAERO COC(=O)c1sccc1NC(=O)C[NH3+] ZINC000040421902 343402532 /nfs/dbraw/zinc/40/25/32/343402532.db2.gz QFVYXJLOHKYORW-UHFFFAOYSA-N 1 0 214.246 0.432 10 0 BCAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Cc1cc[nH]n1 ZINC000247249637 343402571 /nfs/dbraw/zinc/40/25/71/343402571.db2.gz YTTCXLVJXXIOPM-PWSUYJOCSA-N 1 0 248.330 0.647 10 0 BCAERO CNC(=O)c1ccc(C[NH2+]CCCC(N)=O)cc1 ZINC000037927947 187260628 /nfs/dbraw/zinc/26/06/28/187260628.db2.gz WIQITMDUWBXUPS-UHFFFAOYSA-N 1 0 249.314 0.401 10 0 BCAERO CO[C@H](C)CCC(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000310310871 343423812 /nfs/dbraw/zinc/42/38/12/343423812.db2.gz DRMXMLNIFDSBKB-NOOOWODRSA-N 1 0 240.347 0.997 10 0 BCAERO Cc1nnc(CN2CC[NH+](CC3CC3)CC2)n1C ZINC000053238105 343439665 /nfs/dbraw/zinc/43/96/65/343439665.db2.gz QTLSGDRHKGXMTD-UHFFFAOYSA-N 1 0 249.362 0.651 10 0 BCAERO COC[C@@H](C)[NH2+]CC1(CC(=O)OC)CC1 ZINC000308900848 346938926 /nfs/dbraw/zinc/93/89/26/346938926.db2.gz BIHRUMXOQIJZHJ-SECBINFHSA-N 1 0 215.293 0.954 10 0 BCAERO COC(=O)CCN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000082462953 343439930 /nfs/dbraw/zinc/43/99/30/343439930.db2.gz MWSPDVKKLISGKP-SNVBAGLBSA-N 1 0 212.293 0.330 10 0 BCAERO CCN1CC[C@@H](n2cc(C(C)(C)[NH3+])nn2)C1=O ZINC000641085123 362208448 /nfs/dbraw/zinc/20/84/48/362208448.db2.gz ARGLPAFALOJGNC-MRVPVSSYSA-N 1 0 237.307 0.265 10 0 BCAERO Cn1cnnc1CN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000177752045 346937960 /nfs/dbraw/zinc/93/79/60/346937960.db2.gz UVCFMKUFFXYDJI-LLVKDONJSA-N 1 0 235.335 0.485 10 0 BCAERO CC1(C)CO[C@@H](Cn2cc(C[NH3+])nn2)C1 ZINC000641094837 362222176 /nfs/dbraw/zinc/22/21/76/362222176.db2.gz ZSJJJNMNZFBJCN-SECBINFHSA-N 1 0 210.281 0.552 10 0 BCAERO CC[N@H+](C)CCNCc1ccnc(C)n1 ZINC000054790937 136372916 /nfs/dbraw/zinc/37/29/16/136372916.db2.gz QGTZEGDDYQCPEQ-UHFFFAOYSA-N 1 0 208.309 0.826 10 0 BCAERO COCCOCC[NH2+]Cc1ccnc(C)n1 ZINC000054790880 136373119 /nfs/dbraw/zinc/37/31/19/136373119.db2.gz OSFWTVLHUAVLSR-UHFFFAOYSA-N 1 0 225.292 0.538 10 0 BCAERO CCCc1nsc(N(C)CC[NH3+])n1 ZINC000083670444 343494984 /nfs/dbraw/zinc/49/49/84/343494984.db2.gz GZJYQGJQFBQVRJ-UHFFFAOYSA-N 1 0 200.311 0.886 10 0 BCAERO [NH3+]CCCc1nc(C2CCOCC2)n[nH]1 ZINC000083719947 343496224 /nfs/dbraw/zinc/49/62/24/343496224.db2.gz CDCDNPSXFHSHMV-UHFFFAOYSA-N 1 0 210.281 0.590 10 0 BCAERO Nc1cccc([C@H]2CCCN(CC[NH3+])C2)n1 ZINC000616621942 343524983 /nfs/dbraw/zinc/52/49/83/343524983.db2.gz VXHPUQDERQHUAS-JTQLQIEISA-N 1 0 220.320 0.802 10 0 BCAERO COC(=O)[C@@H]1CCCCCN1CC[NH3+] ZINC000616624979 343525055 /nfs/dbraw/zinc/52/50/55/343525055.db2.gz JGQUCEQYDKRWIJ-VIFPVBQESA-N 1 0 200.282 0.363 10 0 BCAERO C[NH2+][C@H]1CSC[C@H]1Cc1cn(C)nn1 ZINC000234470843 343531569 /nfs/dbraw/zinc/53/15/69/343531569.db2.gz NXLWCFLFASQULD-APPZFPTMSA-N 1 0 212.322 0.309 10 0 BCAERO CC[N@@H+]1CCOC[C@H](c2ccnnc2)C1 ZINC000616660584 343532958 /nfs/dbraw/zinc/53/29/58/343532958.db2.gz NWOSQVKFHYDIIM-LLVKDONJSA-N 1 0 207.277 0.912 10 0 BCAERO Cc1nc[nH]c1CNC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000379973054 365770331 /nfs/dbraw/zinc/77/03/31/365770331.db2.gz ODQRFZKQUBXMNJ-JTQLQIEISA-N 1 0 236.319 0.724 10 0 BCAERO C[C@H]([NH2+][C@H]1CCOC[C@@H]1O)c1cncs1 ZINC000624237225 343583032 /nfs/dbraw/zinc/58/30/32/343583032.db2.gz SBWAMMHWNLYJMN-CIUDSAMLSA-N 1 0 228.317 0.944 10 0 BCAERO COC[C@H](CCO)[NH2+]C[C@@H](O)C(C)(C)C ZINC000379977514 365773518 /nfs/dbraw/zinc/77/35/18/365773518.db2.gz RBBFKVDKAIGZKE-VHSXEESVSA-N 1 0 219.325 0.380 10 0 BCAERO CC1(C)NC(=O)N(C[C@@H]2CCCC[NH2+]2)C1=O ZINC000043494087 187266959 /nfs/dbraw/zinc/26/69/59/187266959.db2.gz YMHQBRLBNLXRLH-QMMMGPOBSA-N 1 0 225.292 0.459 10 0 BCAERO C[N@@H+]1CC[C@H](NC(=O)c2cc(N)ccc2F)C1 ZINC000042543598 187265781 /nfs/dbraw/zinc/26/57/81/187265781.db2.gz BVGHGFXTOKQLEY-VIFPVBQESA-N 1 0 237.278 0.842 10 0 BCAERO COCCN(CCOC)[C@H]1CCCC[C@H]1[NH3+] ZINC000042442598 187266015 /nfs/dbraw/zinc/26/60/15/187266015.db2.gz PQDSBCPKDFMTAX-NEPJUHHUSA-N 1 0 230.352 0.851 10 0 BCAERO Cc1nn(C)c(N(C)C)c1C[NH2+]C[C@H](C)O ZINC000309496953 343620646 /nfs/dbraw/zinc/62/06/46/343620646.db2.gz UBMUFEOBPPRJBS-QMMMGPOBSA-N 1 0 226.324 0.265 10 0 BCAERO COC(=O)c1cn(C)c2cc[nH+]c(N)c12 ZINC000049587333 343603974 /nfs/dbraw/zinc/60/39/74/343603974.db2.gz FZHZZJKWVUTZCQ-UHFFFAOYSA-N 1 0 205.217 0.942 10 0 BCAERO COC[C@H]([NH3+])C1CN(C(=O)OC(C)(C)C)C1 ZINC000407015603 343613671 /nfs/dbraw/zinc/61/36/71/343613671.db2.gz AGZZGRDJAPZDAX-VIFPVBQESA-N 1 0 230.308 0.827 10 0 BCAERO CCOC(=O)CN(C)C[C@H]1CCC[N@@H+]1CC ZINC000086189092 343613857 /nfs/dbraw/zinc/61/38/57/343613857.db2.gz KJPKWJUGBWDMAC-LLVKDONJSA-N 1 0 228.336 0.966 10 0 BCAERO CC(C)S(=O)(=O)NC[C@H]1CC[C@H]([NH3+])C1 ZINC000227631169 537795269 /nfs/dbraw/zinc/79/52/69/537795269.db2.gz CFMPHORQZYZBKH-IUCAKERBSA-N 1 0 220.338 0.442 10 0 BCAERO COC(=O)CCC[N@H+](C)C[C@H]1CN(C)CCO1 ZINC000083663463 343653399 /nfs/dbraw/zinc/65/33/99/343653399.db2.gz YPRYABHHZOKJRY-NSHDSACASA-N 1 0 244.335 0.202 10 0 BCAERO C[C@H](CO)[NH2+]CCNC(=O)OC(C)(C)C ZINC000135056782 343662929 /nfs/dbraw/zinc/66/29/29/343662929.db2.gz WXHBFURBCSKMRD-MRVPVSSYSA-N 1 0 218.297 0.482 10 0 BCAERO C[S@@](=O)C1(C[NH2+]C[C@H](O)C(C)(C)C)CC1 ZINC000380195121 343690908 /nfs/dbraw/zinc/69/09/08/343690908.db2.gz BSHYDXRCNKFNKQ-BJOHPYRUSA-N 1 0 233.377 0.894 10 0 BCAERO O=C1NCCC[C@H]1[NH2+]C[C@@H]1CCCOC1 ZINC000082584662 133502949 /nfs/dbraw/zinc/50/29/49/133502949.db2.gz QHFYZLLOXCAFCH-VHSXEESVSA-N 1 0 212.293 0.281 10 0 BCAERO [NH3+]C1(C(=O)NC[C@@H]2CCC[C@@H]2O)CCC1 ZINC000088051435 343698788 /nfs/dbraw/zinc/69/87/88/343698788.db2.gz KWLQPNCAXJFPGN-IUCAKERBSA-N 1 0 212.293 0.145 10 0 BCAERO [NH3+]C1(C(=O)NC[C@H]2CCC[C@H]2O)CCC1 ZINC000088051432 343698793 /nfs/dbraw/zinc/69/87/93/343698793.db2.gz KWLQPNCAXJFPGN-RKDXNWHRSA-N 1 0 212.293 0.145 10 0 BCAERO CC(C)[C@H](CN(C)C)[NH2+][C@@H](C)C(=O)NC1CC1 ZINC000049205435 187270028 /nfs/dbraw/zinc/27/00/28/187270028.db2.gz SUFTVGVIUMDSSE-JQWIXIFHSA-N 1 0 241.379 0.829 10 0 BCAERO CC[C@H]1CCCN(C(=O)[C@H]([NH3+])COC)C1 ZINC000088002981 343689353 /nfs/dbraw/zinc/68/93/53/343689353.db2.gz UYUPUGDLCYRYGU-VHSXEESVSA-N 1 0 214.309 0.609 10 0 BCAERO Cn1cc([C@H]2CCN(C(=O)C[NH2+]C3CC3)C2)cn1 ZINC000154666445 343745796 /nfs/dbraw/zinc/74/57/96/343745796.db2.gz ZUNPXFXBRRNUOJ-JTQLQIEISA-N 1 0 248.330 0.488 10 0 BCAERO Cc1ccc(CN2CC[C@H]([NH3+])C2=O)cn1 ZINC000062053671 178582190 /nfs/dbraw/zinc/58/21/90/178582190.db2.gz QMJRSNVHWUINDJ-JTQLQIEISA-N 1 0 205.261 0.450 10 0 BCAERO CCCCOC[C@@H](O)C[N@@H+]1CC[C@@](C)(O)C1 ZINC000309122594 346968740 /nfs/dbraw/zinc/96/87/40/346968740.db2.gz QTGHLXDDUVQWOU-NWDGAFQWSA-N 1 0 231.336 0.621 10 0 BCAERO CCC(=[NH2+])NC1CCS(=O)(=O)CC1 ZINC000062990784 343747404 /nfs/dbraw/zinc/74/74/04/343747404.db2.gz XZPPRVRTMJDJOY-UHFFFAOYSA-N 1 0 204.295 0.540 10 0 BCAERO CS(=O)(=O)CC(=[NH2+])N1CCCCC1 ZINC000062995436 343747568 /nfs/dbraw/zinc/74/75/68/343747568.db2.gz HVICFKBSBQJBEJ-UHFFFAOYSA-N 1 0 204.295 0.494 10 0 BCAERO CC(C)N(CCO)C(=O)[C@@H]1CCC[C@@H](C[NH3+])C1 ZINC000055147350 187271834 /nfs/dbraw/zinc/27/18/34/187271834.db2.gz DPOQDOQJRRISQF-VXGBXAGGSA-N 1 0 242.363 0.981 10 0 BCAERO CCOC(=O)[C@@H](C[NH3+])C1CCOCC1 ZINC000238247424 537818825 /nfs/dbraw/zinc/81/88/25/537818825.db2.gz QPNQBGCMEVCVDP-VIFPVBQESA-N 1 0 201.266 0.551 10 0 BCAERO Cc1ccc(CNC(=O)[C@@H]2CC[NH2+]C2)o1 ZINC000062116868 178595842 /nfs/dbraw/zinc/59/58/42/178595842.db2.gz OFACMJFYJSQVKK-SECBINFHSA-N 1 0 208.261 0.814 10 0 BCAERO [NH3+][C@H](Cc1ccccc1)C(=O)N[C@@H]1CCCOC1 ZINC000109549000 537829692 /nfs/dbraw/zinc/82/96/92/537829692.db2.gz JGQCTZFVZOSWGQ-CHWSQXEVSA-N 1 0 248.326 0.852 10 0 BCAERO COC(=O)c1ccc(NCC[NH2+]C2CC2)nn1 ZINC000054267918 343884962 /nfs/dbraw/zinc/88/49/62/343884962.db2.gz JNLPECUXXROKER-UHFFFAOYSA-N 1 0 236.275 0.427 10 0 BCAERO [NH3+][C@@H]1CCC[C@H]1C(=O)NC1CCOCC1 ZINC000082920846 133508269 /nfs/dbraw/zinc/50/82/69/133508269.db2.gz GNOXMMHJEAPUKL-NXEZZACHSA-N 1 0 212.293 0.409 10 0 BCAERO [NH3+][C@H]1CCC[C@H]1C(=O)NC1CCOCC1 ZINC000082920848 133508320 /nfs/dbraw/zinc/50/83/20/133508320.db2.gz GNOXMMHJEAPUKL-ZJUUUORDSA-N 1 0 212.293 0.409 10 0 BCAERO CC(C)[C@H](CC[NH3+])C(=O)NC[C@H]1CCCO1 ZINC000076613126 187278933 /nfs/dbraw/zinc/27/89/33/187278933.db2.gz SYNKCULKSYPKEG-MNOVXSKESA-N 1 0 228.336 0.903 10 0 BCAERO CC[C@@H](O)C[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000106387084 347013441 /nfs/dbraw/zinc/01/34/41/347013441.db2.gz POEQLHPMZPKWNN-WDEREUQCSA-N 1 0 224.308 0.686 10 0 BCAERO C[N@@H+]1CCSC[C@@H]1[C@@H](O)C1=CCCO1 ZINC000234321334 343940975 /nfs/dbraw/zinc/94/09/75/343940975.db2.gz UPVYAGSRSPEBTN-PSASIEDQSA-N 1 0 215.318 0.699 10 0 BCAERO C[C@H]1C[NH2+]CCN1C(=O)[C@@H]1CCSC1 ZINC000069986780 343945952 /nfs/dbraw/zinc/94/59/52/343945952.db2.gz FLHXGVUILVODRP-DTWKUNHWSA-N 1 0 214.334 0.560 10 0 BCAERO CC[N@@H+]1C[C@H](C)N(C(=O)C2C[NH2+]C2)C[C@@H]1C ZINC000335894934 344045261 /nfs/dbraw/zinc/04/52/61/344045261.db2.gz DZGFTYVZMJAFKM-UWVGGRQHSA-N 1 0 225.336 0.147 10 0 BCAERO C[NH2+][C@@H](C)C(=O)N[C@]1(C)CCO[C@@H]1C ZINC000234380137 343956860 /nfs/dbraw/zinc/95/68/60/343956860.db2.gz DOQRVFYEFWNJJE-QXFUBDJGSA-N 1 0 200.282 0.278 10 0 BCAERO C[NH2+][C@@H]1CSC[C@H]1Cc1cn(C)nn1 ZINC000234444420 343966168 /nfs/dbraw/zinc/96/61/68/343966168.db2.gz NXLWCFLFASQULD-VXNVDRBHSA-N 1 0 212.322 0.309 10 0 BCAERO C[C@@H]1CN(C(=O)NC2CCC2)[C@@H](C)C[NH2+]1 ZINC000128010025 187285792 /nfs/dbraw/zinc/28/57/92/187285792.db2.gz UUYZQJASIRMWPV-BDAKNGLRSA-N 1 0 211.309 0.931 10 0 BCAERO Cn1cncc1C(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000236079109 187286590 /nfs/dbraw/zinc/28/65/90/187286590.db2.gz RCQBGWIGAAVFGW-RKDXNWHRSA-N 1 0 222.292 0.277 10 0 BCAERO CC(=O)N(C)CC1CCN(CC[NH3+])CC1 ZINC000091352089 187286987 /nfs/dbraw/zinc/28/69/87/187286987.db2.gz IZEGAWYJQFJSAY-UHFFFAOYSA-N 1 0 213.325 0.135 10 0 BCAERO O=C(Nc1nncs1)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634735455 344122719 /nfs/dbraw/zinc/12/27/19/344122719.db2.gz HPNSTFHGLDBIKB-XVKPBYJWSA-N 1 0 238.316 0.866 10 0 BCAERO CCCCOCCCN1CC[C@@H]([NH3+])C1=O ZINC000229347368 344143071 /nfs/dbraw/zinc/14/30/71/344143071.db2.gz PXUKOSHQJANFSL-SNVBAGLBSA-N 1 0 214.309 0.753 10 0 BCAERO C[C@@H](C[NH3+])Nc1ncnc2scnc21 ZINC000107208849 344150548 /nfs/dbraw/zinc/15/05/48/344150548.db2.gz IUCXPMMDZZSXGE-YFKPBYRVSA-N 1 0 209.278 0.845 10 0 BCAERO COC(=O)[C@@H](C1CC1)N1CC[C@H]([NH+](C)C)C1 ZINC000228197572 347036733 /nfs/dbraw/zinc/03/67/33/347036733.db2.gz RVNXDONIYIIZPU-WDEREUQCSA-N 1 0 226.320 0.574 10 0 BCAERO CC1(C)S[C@@H]2[C@H]([NH3+])C(=O)N2[C@H]1C(F)(F)F ZINC000616572174 344183203 /nfs/dbraw/zinc/18/32/03/344183203.db2.gz KOZOQGVBNUAMAT-UYFOZJQFSA-N 1 0 240.250 0.938 10 0 BCAERO COC(=O)/C=C/C(=O)N1CC[C@@H]2[NH2+]CCC[C@@H]21 ZINC000616573449 344186499 /nfs/dbraw/zinc/18/64/99/344186499.db2.gz YNPVFPOLCZLQTQ-AWAZDUCLSA-N 1 0 238.287 0.069 10 0 BCAERO COC(=O)/C=C/C(=O)N1CC[C@@H]2[NH2+]CCC[C@H]21 ZINC000616573455 344186705 /nfs/dbraw/zinc/18/67/05/344186705.db2.gz YNPVFPOLCZLQTQ-OCIBVNFRSA-N 1 0 238.287 0.069 10 0 BCAERO CS(=O)(=O)c1ccc(NC2C[NH2+]C2)cc1 ZINC000084416060 344192111 /nfs/dbraw/zinc/19/21/11/344192111.db2.gz DIWXIAWQXYJXKM-UHFFFAOYSA-N 1 0 226.301 0.474 10 0 BCAERO NC(=O)c1cccc2[nH]c([C@H]3CC[NH2+]3)nc21 ZINC000040833776 187289671 /nfs/dbraw/zinc/28/96/71/187289671.db2.gz XZIBQAXDEUGXHY-MRVPVSSYSA-N 1 0 216.244 0.696 10 0 BCAERO Cc1cc(CNC(=O)[C@@H]2CC[C@H]([NH3+])C2)no1 ZINC000085012371 344201462 /nfs/dbraw/zinc/20/14/62/344201462.db2.gz SUHYFBDSJUZJCM-BDAKNGLRSA-N 1 0 223.276 0.727 10 0 BCAERO O=C([C@H]1CC[NH2+]C1)N1CCO[C@@H](C(F)F)CC1 ZINC000634752910 344205251 /nfs/dbraw/zinc/20/52/51/344205251.db2.gz VBFJRHKVHLZZPL-DTWKUNHWSA-N 1 0 248.273 0.479 10 0 BCAERO Cn1ccc(CN2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)n1 ZINC000309347456 347039134 /nfs/dbraw/zinc/03/91/34/347039134.db2.gz MLPDPXHITFJLIP-WCQGTBRESA-N 1 0 220.320 0.589 10 0 BCAERO C[NH2+][C@@H]1CCC2(C[C@H]1N(C)C1CC1)OCCO2 ZINC000043822791 344257619 /nfs/dbraw/zinc/25/76/19/344257619.db2.gz ZQFVRGNIQXCWBB-VXGBXAGGSA-N 1 0 240.347 0.964 10 0 BCAERO Cn1cc(C[C@@H]([NH3+])[C@@H]2CCSC2)nn1 ZINC000236106729 344296772 /nfs/dbraw/zinc/29/67/72/344296772.db2.gz IUHFGPKXCKGGNL-VXNVDRBHSA-N 1 0 212.322 0.438 10 0 BCAERO COC1(OC)CN([C@@]2(C)CC[NH2+]C2)C1 ZINC000230753877 347042522 /nfs/dbraw/zinc/04/25/22/347042522.db2.gz SBRMLWSQTKXHMM-VIFPVBQESA-N 1 0 200.282 0.043 10 0 BCAERO Cn1cc(C[C@@H]([NH3+])[C@H]2CCSC2)nn1 ZINC000236107002 344297139 /nfs/dbraw/zinc/29/71/39/344297139.db2.gz IUHFGPKXCKGGNL-IONNQARKSA-N 1 0 212.322 0.438 10 0 BCAERO CO[C@@H]1CCCC[C@]12C[NH2+]C[C@@H]2C(N)=O ZINC000234829962 344271477 /nfs/dbraw/zinc/27/14/77/344271477.db2.gz SRFXGBQXHJNKFL-FXPVBKGRSA-N 1 0 212.293 0.267 10 0 BCAERO O=C(c1ccoc1Cl)N1CC[NH2+]CC1 ZINC000236037677 344284075 /nfs/dbraw/zinc/28/40/75/344284075.db2.gz XARJMROLZBVTPV-UHFFFAOYSA-N 1 0 214.652 0.978 10 0 BCAERO C[C@H]1OCC[C@H]1NC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634770505 344284705 /nfs/dbraw/zinc/28/47/05/344284705.db2.gz NKUPPVAFJRDKFX-XZUYRWCXSA-N 1 0 238.331 0.670 10 0 BCAERO C[C@@H]1OCC[C@H]1NC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634770504 344284740 /nfs/dbraw/zinc/28/47/40/344284740.db2.gz NKUPPVAFJRDKFX-KQXIARHKSA-N 1 0 238.331 0.670 10 0 BCAERO CC[C@H](C)[C@@H]([NH3+])C(=O)N1C[C@@H]2COC[C@@H]2C1 ZINC000634774367 344292896 /nfs/dbraw/zinc/29/28/96/344292896.db2.gz OOGOITPARGEYGL-UKKRHICBSA-N 1 0 226.320 0.465 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)N1C[C@@H]2COC[C@@H]2C1 ZINC000634774286 344293479 /nfs/dbraw/zinc/29/34/79/344293479.db2.gz LGRXHOOELYZMQC-NNYUYHANSA-N 1 0 238.331 0.466 10 0 BCAERO [NH3+]C[C@H]1CCC[C@@H]1C(=O)N1C[C@@H]2COC[C@@H]2C1 ZINC000634774288 344293792 /nfs/dbraw/zinc/29/37/92/344293792.db2.gz LGRXHOOELYZMQC-WYUUTHIRSA-N 1 0 238.331 0.466 10 0 BCAERO CC(C)C[C@@H]([NH3+])C(=O)N1C[C@@H]2COC[C@@H]2C1 ZINC000634774604 344293967 /nfs/dbraw/zinc/29/39/67/344293967.db2.gz YMQWNHSCXCUXAD-OUAUKWLOSA-N 1 0 226.320 0.465 10 0 BCAERO [NH3+][C@H]1CCC[C@H](C(=O)N2C[C@@H]3COC[C@@H]3C2)C1 ZINC000634774505 344294228 /nfs/dbraw/zinc/29/42/28/344294228.db2.gz UGKBQLLNEMBFGI-YFKTTZPYSA-N 1 0 238.331 0.609 10 0 BCAERO NC(=O)[C@]1([NH3+])CC[C@H](Sc2ncc[nH]2)C1 ZINC000236213759 344319689 /nfs/dbraw/zinc/31/96/89/344319689.db2.gz OSDLLCUYLKXFIJ-RCOVLWMOSA-N 1 0 226.305 0.237 10 0 BCAERO CCOC(=O)C[C@H](O)C[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000300018317 344365180 /nfs/dbraw/zinc/36/51/80/344365180.db2.gz FKNDDROBPQUZJE-GARJFASQSA-N 1 0 245.319 0.458 10 0 BCAERO Cc1cc2c(N3C[C@H]([NH3+])C[C@@H]3C)nccn2n1 ZINC000385085998 344320856 /nfs/dbraw/zinc/32/08/56/344320856.db2.gz IDYSFJUVNQKNEY-VHSXEESVSA-N 1 0 231.303 0.964 10 0 BCAERO [NH3+]C1CN(C(=O)C(F)(F)C(F)(F)F)C1 ZINC000236225813 344325057 /nfs/dbraw/zinc/32/50/57/344325057.db2.gz GIHHEZCLWVXLHG-UHFFFAOYSA-N 1 0 218.125 0.354 10 0 BCAERO COc1cc(OC)nc(N2C[C@@H]([NH3+])C[C@H]2C)n1 ZINC000385188139 344366662 /nfs/dbraw/zinc/36/66/62/344366662.db2.gz LOYFWGZRLXVOAK-SFYZADRCSA-N 1 0 238.291 0.420 10 0 BCAERO Cc1cc(N2C[C@H]([NH3+])C[C@@H]2C)n2ncnc2n1 ZINC000385149266 344356160 /nfs/dbraw/zinc/35/61/60/344356160.db2.gz OZXAEMGZQBOADU-DTWKUNHWSA-N 1 0 232.291 0.359 10 0 BCAERO C[C@H]1C[C@H]([NH3+])CN1c1ccnc(N(C)C)n1 ZINC000385223548 344378336 /nfs/dbraw/zinc/37/83/36/344378336.db2.gz HIMXJLJNLUYUPV-IUCAKERBSA-N 1 0 221.308 0.469 10 0 BCAERO COC[C@H](C)CC(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000300048193 344380607 /nfs/dbraw/zinc/38/06/07/344380607.db2.gz ICYKYLFXORRKJY-OPRDCNLKSA-N 1 0 214.309 0.465 10 0 BCAERO CC(C)[C@H]([NH3+])C(=O)OC1CCOCC1 ZINC000040991730 187290831 /nfs/dbraw/zinc/29/08/31/187290831.db2.gz RHTGLNLVKDOZHC-VIFPVBQESA-N 1 0 201.266 0.692 10 0 BCAERO COC(=O)CCCN1C[C@H](OC)C[C@@]1(C)C[NH3+] ZINC000600885770 344388335 /nfs/dbraw/zinc/38/83/35/344388335.db2.gz NSPBHIRYOFVTTM-PWSUYJOCSA-N 1 0 244.335 0.378 10 0 BCAERO C[C@@H]1CN(C(=O)[C@@H]2COc3ccccc32)C[C@H]1[NH3+] ZINC000300093741 344388857 /nfs/dbraw/zinc/38/88/57/344388857.db2.gz XFYOMMXJVRRBDW-YUSALJHKSA-N 1 0 246.310 0.968 10 0 BCAERO CCc1cc(N2CCO[C@@H]3C[NH2+]C[C@@H]32)nc(C)n1 ZINC000634810698 344395381 /nfs/dbraw/zinc/39/53/81/344395381.db2.gz FZESMYFFQIPVTH-NWDGAFQWSA-N 1 0 248.330 0.524 10 0 BCAERO COC(=O)c1ccc(NC(N)=[NH2+])c(OC)c1 ZINC000380484623 344409603 /nfs/dbraw/zinc/40/96/03/344409603.db2.gz UMAAIGLCCXFPSD-UHFFFAOYSA-N 1 0 223.232 0.787 10 0 BCAERO Cc1nccnc1NC[C@H]1C[NH2+]CCO1 ZINC000214539039 344418534 /nfs/dbraw/zinc/41/85/34/344418534.db2.gz YUOCWJILVOOLSZ-SECBINFHSA-N 1 0 208.265 0.185 10 0 BCAERO COC(=O)[C@H](C)NC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000084309704 344418932 /nfs/dbraw/zinc/41/89/32/344418932.db2.gz RQVXZEWEXIRRRL-YIZRAAEISA-N 1 0 228.292 0.039 10 0 BCAERO CCOC(=O)CNC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000084309766 344418940 /nfs/dbraw/zinc/41/89/40/344418940.db2.gz PQOGQVJFMFWGDF-DTWKUNHWSA-N 1 0 228.292 0.041 10 0 BCAERO CC[N@@H+]1CC[C@@H](Nc2ncncc2C#N)C1 ZINC000389335256 344460047 /nfs/dbraw/zinc/46/00/47/344460047.db2.gz QXVPHVAKDIZPDB-SNVBAGLBSA-N 1 0 217.276 0.276 10 0 BCAERO c1cc(CN[C@H]2CCc3ncnn3C2)no1 ZINC000381173868 344482607 /nfs/dbraw/zinc/48/26/07/344482607.db2.gz UTFLYUUFTKWKCZ-VIFPVBQESA-N 1 0 219.248 0.371 10 0 BCAERO COc1ccc(CN2C[C@H]([NH3+])[C@@H](C)C2)cn1 ZINC000234937482 344485673 /nfs/dbraw/zinc/48/56/73/344485673.db2.gz BVZWDILJIQANAF-ONGXEEELSA-N 1 0 221.304 0.869 10 0 BCAERO CC(C)(C)[C@H]([NH3+])C(=O)N1CCC[C@H]1CO ZINC000042434965 187291103 /nfs/dbraw/zinc/29/11/03/187291103.db2.gz YDKAIMKWIXUPPE-DTWKUNHWSA-N 1 0 214.309 0.343 10 0 BCAERO c1cn2c(n1)CC[C@H]([NH2+]C1CCOCC1)C2 ZINC000381529188 344517888 /nfs/dbraw/zinc/51/78/88/344517888.db2.gz YFKCOXLZHHOSHZ-NSHDSACASA-N 1 0 221.304 0.967 10 0 BCAERO CSCCNC(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000069013671 344536955 /nfs/dbraw/zinc/53/69/55/344536955.db2.gz IJBGCKHEQPYMIN-IUCAKERBSA-N 1 0 216.350 0.983 10 0 BCAERO CC1(C)NC(=O)CC[C@@H]1[NH2+][C@@H]1C[C@H]1CO ZINC000382007266 347054185 /nfs/dbraw/zinc/05/41/85/347054185.db2.gz LHLNINVAJZBSPT-YIZRAAEISA-N 1 0 212.293 0.014 10 0 BCAERO Cn1ccnc1CN1CCCC[C@H]1C[NH3+] ZINC000044558650 344543359 /nfs/dbraw/zinc/54/33/59/344543359.db2.gz XJFXIVLCCZCQFX-JTQLQIEISA-N 1 0 208.309 0.733 10 0 BCAERO COC(=O)[C@@H](NC[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC000225829803 344564969 /nfs/dbraw/zinc/56/49/69/344564969.db2.gz YUIICVUZXBZLAE-QWRGUYRKSA-N 1 0 226.320 0.622 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N(C)C[C@@H](C)C(=O)OC ZINC000037823521 344593386 /nfs/dbraw/zinc/59/33/86/344593386.db2.gz VQHYGNDFSUSVFZ-BDAKNGLRSA-N 1 0 230.308 0.381 10 0 BCAERO [NH3+]CC1(C(=O)NC2CCSCC2)CC1 ZINC000220753456 344579233 /nfs/dbraw/zinc/57/92/33/344579233.db2.gz FAVYRUUPQFGKDG-UHFFFAOYSA-N 1 0 214.334 0.737 10 0 BCAERO [NH3+][C@@H]1CCN([C@H]2CCCSC2)C1=O ZINC000220772242 344580916 /nfs/dbraw/zinc/58/09/16/344580916.db2.gz LDFIYCBYOGUASU-JGVFFNPUSA-N 1 0 200.307 0.442 10 0 BCAERO c1nc2c([nH]1)[C@@]1(CCCOCC1)[NH2+]CC2 ZINC000400377956 537853494 /nfs/dbraw/zinc/85/34/94/537853494.db2.gz JPKIHQMHLKXLMK-NSHDSACASA-N 1 0 207.277 0.951 10 0 BCAERO CC(C)(O)C[N@@H+]1CCO[C@@H](CCF)C1 ZINC000626002792 344663611 /nfs/dbraw/zinc/66/36/11/344663611.db2.gz UXXICOAAWYJYOG-VIFPVBQESA-N 1 0 205.273 0.818 10 0 BCAERO O[C@@H]1CCC[C@H]1[N@@H+]1CCO[C@@H](CCF)C1 ZINC000626006324 344664902 /nfs/dbraw/zinc/66/49/02/344664902.db2.gz VZJDSWLBFYJQDP-HBNTYKKESA-N 1 0 217.284 0.960 10 0 BCAERO O=C1C=CC2C(=C1)O[C@H]1CC(=O)C=C[C@@H]1[N+]2=O ZINC000044171944 344668733 /nfs/dbraw/zinc/66/87/33/344668733.db2.gz LLRYFYIDXFZMBA-ONGXEEELSA-N 1 0 231.207 0.740 10 0 BCAERO C[C@H]1C[NH2+]C[C@H]1c1nc(-c2cnccn2)no1 ZINC000104206189 187292333 /nfs/dbraw/zinc/29/23/33/187292333.db2.gz ACERODLFLKXADO-JGVFFNPUSA-N 1 0 231.259 0.850 10 0 BCAERO CCOC(=O)C1CCN(C2C[NH2+]C2)CC1 ZINC000044185118 344720065 /nfs/dbraw/zinc/72/00/65/344720065.db2.gz QPPUGQFBSWPBCT-UHFFFAOYSA-N 1 0 212.293 0.233 10 0 BCAERO OC[C@H]1CC[C@@](O)(c2ccccc2)C[NH2+]1 ZINC000212148490 344722040 /nfs/dbraw/zinc/72/20/40/344722040.db2.gz XIYYHWXYEUFVGL-NEPJUHHUSA-N 1 0 207.273 0.619 10 0 BCAERO C[C@H]1C[C@@]2(CN1C)[NH2+]CCc1nc[nH]c12 ZINC000400397786 537855442 /nfs/dbraw/zinc/85/54/42/537855442.db2.gz MWYOMOVPDUMKDG-KWQFWETISA-N 1 0 206.293 0.475 10 0 BCAERO Cc1cc(N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)ncn1 ZINC000153144696 344762970 /nfs/dbraw/zinc/76/29/70/344762970.db2.gz LBYUZEWYHBLXRQ-GHMZBOCLSA-N 1 0 234.303 0.304 10 0 BCAERO CCN1CC[C@]2(C1)[NH2+]CCc1nc[nH]c12 ZINC000400423013 537856376 /nfs/dbraw/zinc/85/63/76/537856376.db2.gz YRZHRXLIHIUDPS-LLVKDONJSA-N 1 0 206.293 0.476 10 0 BCAERO C[C@H]1C[C@]2(CCO1)[NH2+]CCc1nc[nH]c12 ZINC000400553222 537858451 /nfs/dbraw/zinc/85/84/51/537858451.db2.gz JUIMNIJTSPBBLW-KWQFWETISA-N 1 0 207.277 0.950 10 0 BCAERO COC(=O)c1cncc(N[C@@H]2CC[NH2+]C2)n1 ZINC000085693678 347077574 /nfs/dbraw/zinc/07/75/74/347077574.db2.gz KTVGBOMCHBNBFG-SSDOTTSWSA-N 1 0 222.248 0.037 10 0 BCAERO CS[C@@H]1CCC[C@@H]1N1C[C@@H]([NH3+])C1=O ZINC000235123425 344804784 /nfs/dbraw/zinc/80/47/84/344804784.db2.gz FSSLDELZSVOXIN-GJMOJQLCSA-N 1 0 200.307 0.440 10 0 BCAERO Nc1cc[nH+]cc1OCCCN1CCOCC1 ZINC000118574257 344807244 /nfs/dbraw/zinc/80/72/44/344807244.db2.gz ZCQHLMKYNAQNMC-UHFFFAOYSA-N 1 0 237.303 0.765 10 0 BCAERO C[NH+]1CCC(n2c(=O)[nH][nH]c2=S)CC1 ZINC000061079376 344841722 /nfs/dbraw/zinc/84/17/22/344841722.db2.gz CLNQHMSXXIYTBC-UHFFFAOYSA-N 1 0 214.294 0.501 10 0 BCAERO COC(=O)[C@H]([NH3+])CCn1cc(C)nc1C ZINC000715150454 537865177 /nfs/dbraw/zinc/86/51/77/537865177.db2.gz FZYYWCWCCNGNLH-SECBINFHSA-N 1 0 211.265 0.390 10 0 BCAERO Cn1cc([C@@H](N)C(N)=O)c(C(C)(C)C)n1 ZINC000135654428 344838030 /nfs/dbraw/zinc/83/80/30/344838030.db2.gz SZIWSRFBSADVNU-SSDOTTSWSA-N 1 0 210.281 0.203 10 0 BCAERO COC(=O)[C@@H]([NH3+])CCn1cc(C)nc1C ZINC000715150456 537865843 /nfs/dbraw/zinc/86/58/43/537865843.db2.gz FZYYWCWCCNGNLH-VIFPVBQESA-N 1 0 211.265 0.390 10 0 BCAERO CC(C)[N@@H+]1CC[C@]2(C1)NCCc1nc[nH]c12 ZINC000400650148 537863783 /nfs/dbraw/zinc/86/37/83/537863783.db2.gz QARLFJGRFPAVAY-GFCCVEGCSA-N 1 0 220.320 0.865 10 0 BCAERO [NH3+][C@@H](CC(=O)Nc1cnns1)C1CC1 ZINC000166310631 344851811 /nfs/dbraw/zinc/85/18/11/344851811.db2.gz BOQONEBSRLWBMS-LURJTMIESA-N 1 0 212.278 0.604 10 0 BCAERO C[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1cnns1 ZINC000166307006 344851930 /nfs/dbraw/zinc/85/19/30/344851930.db2.gz QEIQGLUJWAGOLF-RITPCOANSA-N 1 0 212.278 0.475 10 0 BCAERO O=C(Nc1cnns1)[C@@H]1CCCC[NH2+]1 ZINC000166317665 344853924 /nfs/dbraw/zinc/85/39/24/344853924.db2.gz JSASLKHMEFRWCG-LURJTMIESA-N 1 0 212.278 0.619 10 0 BCAERO [NH3+]C1(CC(=O)Nc2cnns2)CCC1 ZINC000166319879 344854101 /nfs/dbraw/zinc/85/41/01/344854101.db2.gz NLYQQSPJRBCLRB-UHFFFAOYSA-N 1 0 212.278 0.748 10 0 BCAERO [NH3+]CCC(=O)N[C@@H]1CCCCC[C@H]1O ZINC000135676539 344844779 /nfs/dbraw/zinc/84/47/79/344844779.db2.gz RSPKMNPJNMQARO-RKDXNWHRSA-N 1 0 200.282 0.145 10 0 BCAERO C[C@@H]1CCCN(S(=O)(=O)C2CC2)[C@@H]1[NH3+] ZINC000235328014 344885080 /nfs/dbraw/zinc/88/50/80/344885080.db2.gz TUFRNTXVMHTQFW-APPZFPTMSA-N 1 0 218.322 0.495 10 0 BCAERO COC[C@H](C)C[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000249172380 537871651 /nfs/dbraw/zinc/87/16/51/537871651.db2.gz CBNICIKCJPSBGU-CHWSQXEVSA-N 1 0 242.363 0.675 10 0 BCAERO Cn1cccc1C(=O)CN1CCC([NH3+])CC1 ZINC000050158319 187294637 /nfs/dbraw/zinc/29/46/37/187294637.db2.gz OBSOZRDINOHEHC-UHFFFAOYSA-N 1 0 221.304 0.631 10 0 BCAERO Cn1ccs/c1=N\C(=O)[C@@H]1CC[NH2+]C1 ZINC000237919947 187295392 /nfs/dbraw/zinc/29/53/92/187295392.db2.gz QHBQPCGQFDBWBV-BRSPZTEKSA-N 1 0 211.290 0.123 10 0 BCAERO Cn1ncnc1S[C@H]1COCC[C@H]1[NH3+] ZINC000128122787 344962074 /nfs/dbraw/zinc/96/20/74/344962074.db2.gz QXSMKLHYCLKQNU-RQJHMYQMSA-N 1 0 214.294 0.023 10 0 BCAERO C[C@H](CC(N)=S)[N@@H+]1CCN(C)C[C@@H]1C ZINC000235650230 344963349 /nfs/dbraw/zinc/96/33/49/344963349.db2.gz ZSPZBQVUZTVDJK-BDAKNGLRSA-N 1 0 215.366 0.687 10 0 BCAERO CC[NH2+][C@](C)(Cn1nccc1C)C(N)=O ZINC000070687158 537877152 /nfs/dbraw/zinc/87/71/52/537877152.db2.gz LLIWRXVRYYJSOY-SNVBAGLBSA-N 1 0 210.281 0.045 10 0 BCAERO COC(=O)[C@](C)([NH3+])CCn1nccc1C ZINC000070686860 537877837 /nfs/dbraw/zinc/87/78/37/537877837.db2.gz NLOOIWOPDILOPV-SNVBAGLBSA-N 1 0 211.265 0.472 10 0 BCAERO C[C@H](C[NH2+]C1COC1)NC(=O)OC(C)(C)C ZINC000227677276 344967526 /nfs/dbraw/zinc/96/75/26/344967526.db2.gz ZCAPYXOIEGCSDD-MRVPVSSYSA-N 1 0 230.308 0.888 10 0 BCAERO CCOC(=O)[C@@H]([NH3+])CCn1ccc(C)n1 ZINC000070686482 537878397 /nfs/dbraw/zinc/87/83/97/537878397.db2.gz OOERLLGQYKJDHX-VIFPVBQESA-N 1 0 211.265 0.472 10 0 BCAERO COC(=O)[C@@](C)([NH3+])CCn1ccc(C)n1 ZINC000070686380 537878622 /nfs/dbraw/zinc/87/86/22/537878622.db2.gz XYEPZXWCRMTYJL-JTQLQIEISA-N 1 0 211.265 0.472 10 0 BCAERO Cc1cccc(C[NH2+][C@H]2COC[C@H]2O)n1 ZINC000051575947 187299211 /nfs/dbraw/zinc/29/92/11/187299211.db2.gz ROLVYMZBMJHMAS-WDEREUQCSA-N 1 0 208.261 0.239 10 0 BCAERO Cn1c(Cl)cnc1Cn1cc[nH+]c1N ZINC000301043919 537882362 /nfs/dbraw/zinc/88/23/62/537882362.db2.gz XLDDZSBSXUSNNE-UHFFFAOYSA-N 1 0 211.656 0.901 10 0 BCAERO CCc1nccn1-c1ccc(C[NH3+])nn1 ZINC000051517907 187299066 /nfs/dbraw/zinc/29/90/66/187299066.db2.gz LNFCERQFXYJHLJ-UHFFFAOYSA-N 1 0 203.249 0.683 10 0 BCAERO CC(C)[C@H]([NH3+])C(=O)N1CCC([C@H](C)O)CC1 ZINC000157779627 187297962 /nfs/dbraw/zinc/29/79/62/187297962.db2.gz OVWHTNNPOMXMIC-ONGXEEELSA-N 1 0 228.336 0.589 10 0 BCAERO NNc1cc(N2CCSCC2)cc[nH+]1 ZINC000227682182 345019315 /nfs/dbraw/zinc/01/93/15/345019315.db2.gz NKBPADZHNBULAU-UHFFFAOYSA-N 1 0 210.306 0.920 10 0 BCAERO C[NH2+][C@@H]1CCN(c2ccc(C(=O)OC)c(C)n2)C1 ZINC000124451818 345043533 /nfs/dbraw/zinc/04/35/33/345043533.db2.gz KJTFBQKZUKXYKU-SNVBAGLBSA-N 1 0 249.314 0.975 10 0 BCAERO C[C@@H]1CC[C@@H](C(=O)N2CC[C@H](C[NH+](C)C)C2)O1 ZINC000154824132 345053467 /nfs/dbraw/zinc/05/34/67/345053467.db2.gz HBBRBHBRCDHKDH-UTUOFQBUSA-N 1 0 240.347 0.964 10 0 BCAERO Cc1ccc(S(=O)(=O)C[C@H](O)C[NH3+])c(C)c1 ZINC000019685691 178823335 /nfs/dbraw/zinc/82/33/35/178823335.db2.gz JXGCFNNOSVQIEP-SNVBAGLBSA-N 1 0 243.328 0.397 10 0 BCAERO CC(C)[C@@H](C[NH3+])N1C[C@@H](C)CS1(=O)=O ZINC000224968975 345056307 /nfs/dbraw/zinc/05/63/07/345056307.db2.gz RACBAUWWTFCGNB-RKDXNWHRSA-N 1 0 220.338 0.251 10 0 BCAERO C[C@@H]1SCCC[C@@]12OC[C@@H](C[NH3+])O2 ZINC000226776889 345066133 /nfs/dbraw/zinc/06/61/33/345066133.db2.gz JRACFEHAEJQBLE-YIZRAAEISA-N 1 0 203.307 0.972 10 0 BCAERO N[C@@H](C[NH3+])c1ccnc(Br)c1 ZINC000044472886 345090527 /nfs/dbraw/zinc/09/05/27/345090527.db2.gz QUIYLMIFVJCVKI-LURJTMIESA-N 1 0 216.082 0.803 10 0 BCAERO Cc1ccnc(-c2cnn3c2C[NH2+]CC3)n1 ZINC000675075877 537888235 /nfs/dbraw/zinc/88/82/35/537888235.db2.gz FWPUQHMBUHALNK-UHFFFAOYSA-N 1 0 215.260 0.752 10 0 BCAERO O=S1(=O)CC[C@H](C[NH2+]C2CCC2)C1 ZINC000044481859 345094948 /nfs/dbraw/zinc/09/49/48/345094948.db2.gz FCJJDJDWJNFADU-MRVPVSSYSA-N 1 0 203.307 0.563 10 0 BCAERO C[N@@H+]1CCC[C@@H](CN2CN=NC2=S)C1 ZINC000044538141 345112788 /nfs/dbraw/zinc/11/27/88/345112788.db2.gz OXTDMPACNGMSQJ-MRVPVSSYSA-N 1 0 212.322 0.909 10 0 BCAERO Cc1ccc([C@@H](C(N)=O)N2CC[NH2+]CC2)c(C)c1 ZINC000037945626 178831249 /nfs/dbraw/zinc/83/12/49/178831249.db2.gz ZIWMPCGIFJCQOH-ZDUSSCGKSA-N 1 0 247.342 0.735 10 0 BCAERO CC[C@H](NC[C@H]1C[NH2+]CC12CC2)C(=O)OC ZINC000675076119 537889561 /nfs/dbraw/zinc/88/95/61/537889561.db2.gz YZAKTRQKEAXSES-ZJUUUORDSA-N 1 0 226.320 0.527 10 0 BCAERO CCCc1cnn(CC[C@H]([NH3+])C(N)=O)c1 ZINC000402070799 537889730 /nfs/dbraw/zinc/88/97/30/537889730.db2.gz PGJLBYKMECXPGP-VIFPVBQESA-N 1 0 210.281 0.038 10 0 BCAERO O=C(Nc1ccon1)[C@@H]1CSCC[NH2+]1 ZINC000126903841 345145943 /nfs/dbraw/zinc/14/59/43/345145943.db2.gz RTIVFQHJKKZLIB-LURJTMIESA-N 1 0 213.262 0.318 10 0 BCAERO CC(C)([NH3+])C(=O)N1CCC[C@@H]1CCCO ZINC000052763691 187301106 /nfs/dbraw/zinc/30/11/06/187301106.db2.gz AZMMLXJKLSIGKH-SECBINFHSA-N 1 0 214.309 0.487 10 0 BCAERO OCC(F)(F)n1cc(C[NH2+]C2CC2)nn1 ZINC000675076824 537892177 /nfs/dbraw/zinc/89/21/77/537892177.db2.gz RUHPALAILKIBAL-UHFFFAOYSA-N 1 0 218.207 0.072 10 0 BCAERO C[C@@H]1COCC[C@@H]1[NH2+]C[C@H]1CNC(=O)O1 ZINC000380276046 345264151 /nfs/dbraw/zinc/26/41/51/345264151.db2.gz XRCNYJYVNWSOIM-VGMNWLOBSA-N 1 0 214.265 0.109 10 0 BCAERO CC(C)([NH3+])C(=O)NC[C@@H]1CC[C@@H](O)C1 ZINC000227781056 345272644 /nfs/dbraw/zinc/27/26/44/345272644.db2.gz ZGWKBUDXBWYHAW-HTQZYQBOSA-N 1 0 200.282 0.001 10 0 BCAERO COC[C@H](C)C(=O)N1CCC[N@H+](C)CC1 ZINC000103534341 187302172 /nfs/dbraw/zinc/30/21/72/187302172.db2.gz JKDWERKSBXBNIE-JTQLQIEISA-N 1 0 214.309 0.433 10 0 BCAERO CCn1ccnc1CC1=C[C@H](N)C[NH2+]C1 ZINC000675077784 537895525 /nfs/dbraw/zinc/89/55/25/537895525.db2.gz IRYURIPPSQGSLN-JTQLQIEISA-N 1 0 206.293 0.302 10 0 BCAERO [NH3+][C@H]1CCN(C[C@@H]2CCSC2)C1=O ZINC000228576506 345367403 /nfs/dbraw/zinc/36/74/03/345367403.db2.gz YFIDUZMFCJKUMI-YUMQZZPRSA-N 1 0 200.307 0.299 10 0 BCAERO CC[NH+](CC)CCCNCC(OC)OC ZINC000082534375 345332194 /nfs/dbraw/zinc/33/21/94/345332194.db2.gz UMYNYEKBVAMHQN-UHFFFAOYSA-N 1 0 218.341 0.927 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N(C)Cc1ccc(F)cc1 ZINC000159122861 345410726 /nfs/dbraw/zinc/41/07/26/345410726.db2.gz WXLGRFKWTDNRBB-LLVKDONJSA-N 1 0 240.278 0.758 10 0 BCAERO COC[C@H]([NH3+])C(=O)Nc1ccccc1N(C)C ZINC000159224783 345418520 /nfs/dbraw/zinc/41/85/20/345418520.db2.gz WHYCWLQCFJLBST-VIFPVBQESA-N 1 0 237.303 0.665 10 0 BCAERO COCc1noc([C@@H]2CSC[C@H]2[NH3+])n1 ZINC000134816018 345422813 /nfs/dbraw/zinc/42/28/13/345422813.db2.gz AIGDTXFIXYDIIV-PHDIDXHHSA-N 1 0 215.278 0.374 10 0 BCAERO Cc1c[nH+]ccc1N1CCO[C@H](CO)C1 ZINC000088093854 133547148 /nfs/dbraw/zinc/54/71/48/133547148.db2.gz ZPJNSQHDIUNALD-JTQLQIEISA-N 1 0 208.261 0.588 10 0 BCAERO COC[C@@H]([NH3+])C(=O)NCc1ccccc1OC ZINC000159547476 345442219 /nfs/dbraw/zinc/44/22/19/345442219.db2.gz DRIBQKNSKCJMOD-SNVBAGLBSA-N 1 0 238.287 0.285 10 0 BCAERO C[NH2+]C[C@@H]1CCCN1c1nnc(C)c(C)n1 ZINC000158986124 345397035 /nfs/dbraw/zinc/39/70/35/345397035.db2.gz ZWASJLKYJYHRIZ-JTQLQIEISA-N 1 0 221.308 0.677 10 0 BCAERO N#Cc1ccc(N2C[C@@H]3CCC[C@]3(C[NH3+])C2)nn1 ZINC000396874596 349930369 /nfs/dbraw/zinc/93/03/69/349930369.db2.gz CUFLQHKKIMEHKN-GWCFXTLKSA-N 1 0 243.314 0.913 10 0 BCAERO COC(=O)[C@@H](C)CN(C)C(=O)C[C@H]([NH3+])C(C)C ZINC000136404926 345509629 /nfs/dbraw/zinc/50/96/29/345509629.db2.gz AEROZEHEVYHYNI-UWVGGRQHSA-N 1 0 244.335 0.627 10 0 BCAERO Nc1cc(C[N@@H+]2CC[C@H](CCO)C2)ccn1 ZINC000159778159 345528241 /nfs/dbraw/zinc/52/82/41/345528241.db2.gz ZHJKNVHCAMTPBF-SNVBAGLBSA-N 1 0 221.304 0.868 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N[C@H]1CCc2ccccc2C1 ZINC000159886011 345579397 /nfs/dbraw/zinc/57/93/97/345579397.db2.gz IEWFTZYWBWHMTG-QWHCGFSZSA-N 1 0 248.326 0.634 10 0 BCAERO c1nc2c([nH]1)[C@]1(CN3CCC1CC3)[NH2+]CC2 ZINC000403284629 537900344 /nfs/dbraw/zinc/90/03/44/537900344.db2.gz VGEAFPSXNRTIMN-GFCCVEGCSA-N 1 0 218.304 0.476 10 0 BCAERO CCc1nsc(N2CC[C@@H]3C[NH2+]C[C@@H]32)n1 ZINC000213616969 345740959 /nfs/dbraw/zinc/74/09/59/345740959.db2.gz AXUHBADPPQLFMN-SFYZADRCSA-N 1 0 224.333 0.899 10 0 BCAERO C[NH2+]C[C@@H](O)COc1ccc2[nH]c(=O)ccc2c1 ZINC000034218754 345819456 /nfs/dbraw/zinc/81/94/56/345819456.db2.gz DVTWMVKQTUVAGC-SNVBAGLBSA-N 1 0 248.282 0.487 10 0 BCAERO C[C@H](C[NH3+])[C@H](O)c1c(Cl)cnn1C ZINC000306219986 537911683 /nfs/dbraw/zinc/91/16/83/537911683.db2.gz NRIYASHIIDYOHK-XRGYYRRGSA-N 1 0 203.673 0.702 10 0 BCAERO C[NH2+][C@H](CN1CC(O)C1)C1CCCCC1 ZINC000167814074 345802271 /nfs/dbraw/zinc/80/22/71/345802271.db2.gz AVQNTAZUUVGNKI-GFCCVEGCSA-N 1 0 212.337 0.831 10 0 BCAERO CCN1CCO[C@H](C[NH2+][C@H]2CCO[C@@H]2C)C1 ZINC000250198500 537912406 /nfs/dbraw/zinc/91/24/06/537912406.db2.gz BCIBTIVQEOZHGM-UTUOFQBUSA-N 1 0 228.336 0.474 10 0 BCAERO CCOC(=O)c1cc(OCC[NH+](C)C)nn1C ZINC000219577812 345859485 /nfs/dbraw/zinc/85/94/85/345859485.db2.gz FBXJPXRCPAKXSY-UHFFFAOYSA-N 1 0 241.291 0.537 10 0 BCAERO C[C@@H]1CN(c2ccc(N)nc2)C[C@H](C)[NH2+]1 ZINC000142508029 345863392 /nfs/dbraw/zinc/86/33/92/345863392.db2.gz UXPVYPKUBZTKIP-DTORHVGOSA-N 1 0 206.293 0.850 10 0 BCAERO CCN1CCO[C@@H](C[NH3+])[C@H]1c1cnn(C)c1 ZINC000250316460 537918254 /nfs/dbraw/zinc/91/82/54/537918254.db2.gz MOAMHZRMACVAMG-WDEREUQCSA-N 1 0 224.308 0.141 10 0 BCAERO COC(=O)[C@](C)([NH3+])C[C@H](C)n1cncn1 ZINC000082800477 537922938 /nfs/dbraw/zinc/92/29/38/537922938.db2.gz QOLUFPSANYCXBK-IONNQARKSA-N 1 0 212.253 0.120 10 0 BCAERO CC(C)C[C@H]([NH3+])C(=O)N1CCn2ccnc2C1 ZINC000062254595 187362126 /nfs/dbraw/zinc/36/21/26/187362126.db2.gz PUFAWJOANPHLQL-JTQLQIEISA-N 1 0 236.319 0.599 10 0 BCAERO CC(C)CN(C)C(=O)[C@@H]([NH3+])C1CCOCC1 ZINC000261751681 535019667 /nfs/dbraw/zinc/01/96/67/535019667.db2.gz LFZJGLWQFMNTBM-NSHDSACASA-N 1 0 228.336 0.855 10 0 BCAERO C[C@H]([NH3+])C(=O)N1CC[C@]2(CC[C@H](CO)C2)C1 ZINC000095088886 346024348 /nfs/dbraw/zinc/02/43/48/346024348.db2.gz BXHQOVKMJVASON-NHCYSSNCSA-N 1 0 226.320 0.345 10 0 BCAERO CC(C)CNC(=O)C[N@H+](C)CCC(N)=S ZINC000019834850 187314134 /nfs/dbraw/zinc/31/41/34/187314134.db2.gz UMQHFWVEMWDVLX-UHFFFAOYSA-N 1 0 231.365 0.367 10 0 BCAERO COC(=O)C1(C[C@H]2CO2)CC[NH+](C)CC1 ZINC000669371843 537948801 /nfs/dbraw/zinc/94/88/01/537948801.db2.gz BLDTXLYQQYDEQL-VIFPVBQESA-N 1 0 213.277 0.660 10 0 BCAERO CC(C)(O)CC[N@@H+]1CC[C@H](CCO)C1 ZINC000162081385 346161655 /nfs/dbraw/zinc/16/16/55/346161655.db2.gz UOZWPBCHJBIIMS-SNVBAGLBSA-N 1 0 201.310 0.852 10 0 BCAERO [NH3+][C@H]1CN(Cc2ccccc2)CC[C@H]1O ZINC000147822739 537953907 /nfs/dbraw/zinc/95/39/07/537953907.db2.gz WBYKRESBRFTKBV-NWDGAFQWSA-N 1 0 206.289 0.581 10 0 BCAERO O=C1CCCC[C@@H]1[N@@H+]1CCNC(=O)CC1 ZINC000062101479 346201220 /nfs/dbraw/zinc/20/12/20/346201220.db2.gz JQSYJXNWQPSDDK-VIFPVBQESA-N 1 0 210.277 0.320 10 0 BCAERO C[NH+](C)[C@@H]1CCC[C@H](S(N)(=O)=O)C1 ZINC000669375698 537956027 /nfs/dbraw/zinc/95/60/27/537956027.db2.gz RDZJZUSULODFDR-SFYZADRCSA-N 1 0 206.311 0.148 10 0 BCAERO [NH3+]C[C@H]1CCCN1C(=O)c1cncs1 ZINC000236164795 346203859 /nfs/dbraw/zinc/20/38/59/346203859.db2.gz ABKYDJZPVVVTFS-SSDOTTSWSA-N 1 0 211.290 0.706 10 0 BCAERO C[C@H](CC(N)=S)[N@@H+]1CCCOCC1 ZINC000061918594 346180218 /nfs/dbraw/zinc/18/02/18/346180218.db2.gz MFJUBJAWPHYIRC-MRVPVSSYSA-N 1 0 202.323 0.773 10 0 BCAERO Cn1nnc(Br)c1C1(F)CC([NH3+])C1 ZINC000236078444 346189166 /nfs/dbraw/zinc/18/91/66/346189166.db2.gz FIKHVCMQPSHSGW-UHFFFAOYSA-N 1 0 249.087 0.864 10 0 BCAERO C[NH+](C)[C@H]1CCC[C@H](S(N)(=O)=O)C1 ZINC000669375699 537955124 /nfs/dbraw/zinc/95/51/24/537955124.db2.gz RDZJZUSULODFDR-YUMQZZPRSA-N 1 0 206.311 0.148 10 0 BCAERO Nc1c[nH+]cc(Br)c1NCCO ZINC000236372369 346231712 /nfs/dbraw/zinc/23/17/12/346231712.db2.gz NIHQXDIYDQXTLL-UHFFFAOYSA-N 1 0 232.081 0.831 10 0 BCAERO Cc1cccc(C(=O)N(CC[NH3+])C2CC2)n1 ZINC000041056705 179006327 /nfs/dbraw/zinc/00/63/27/179006327.db2.gz BRRUIYDZRPQIFD-UHFFFAOYSA-N 1 0 219.288 0.953 10 0 BCAERO O=C(NC[C@H]1CCC[NH2+]1)c1cncs1 ZINC000236405871 346235825 /nfs/dbraw/zinc/23/58/25/346235825.db2.gz YUUCXDXDUYNHQX-SSDOTTSWSA-N 1 0 211.290 0.625 10 0 BCAERO Cc1cccc(C(=O)N2CC[C@@H]([NH3+])[C@@H]2C)n1 ZINC000335550896 179011695 /nfs/dbraw/zinc/01/16/95/179011695.db2.gz FIZDTXJKZWASOL-VHSXEESVSA-N 1 0 219.288 0.952 10 0 BCAERO Cc1cccc(C(=O)NC2CC([NH3+])C2)n1 ZINC000036237000 179014443 /nfs/dbraw/zinc/01/44/43/179014443.db2.gz SGHMYYLAWCNAND-UHFFFAOYSA-N 1 0 205.261 0.610 10 0 BCAERO CNS(=O)(=O)C1CCC([NH+](C)C)CC1 ZINC000669376480 537960798 /nfs/dbraw/zinc/96/07/98/537960798.db2.gz VCIGYKMQKDXJNE-UHFFFAOYSA-N 1 0 220.338 0.408 10 0 BCAERO CC(C)(O)c1cn([C@@H]2CCCC[C@@H]2[NH3+])nn1 ZINC000216652098 187319290 /nfs/dbraw/zinc/31/92/90/187319290.db2.gz HKBLQTVOWXHXQK-DTWKUNHWSA-N 1 0 224.308 0.948 10 0 BCAERO C=CN1C(=[NH2+])S[C@@H]2CS(=O)(=O)C[C@H]21 ZINC000136747014 346295870 /nfs/dbraw/zinc/29/58/70/346295870.db2.gz RCLIZULLOCCJRH-PHDIDXHHSA-N 1 0 218.303 0.279 10 0 BCAERO C[C@H](C[NH3+])[C@H](O)c1cnn(C)c1Cl ZINC000669378036 537966790 /nfs/dbraw/zinc/96/67/90/537966790.db2.gz RDKDFOMSJWJARL-VDTYLAMSSA-N 1 0 203.673 0.702 10 0 BCAERO CCCC(=O)NCC(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000236715726 168548931 /nfs/dbraw/zinc/54/89/31/168548931.db2.gz BKCFZJBDEQULLP-ZJUUUORDSA-N 1 0 241.335 0.146 10 0 BCAERO C[C@]([NH3+])(CCNC(=O)C1CC1)C(F)F ZINC000669378447 537965487 /nfs/dbraw/zinc/96/54/87/537965487.db2.gz GHRWBYODWNLPIV-VIFPVBQESA-N 1 0 206.236 0.885 10 0 BCAERO CCS(=O)(=O)N(C)CC[NH2+]C(C)C ZINC000669378409 537965828 /nfs/dbraw/zinc/96/58/28/537965828.db2.gz DEPWZCGXYJOPNL-UHFFFAOYSA-N 1 0 208.327 0.266 10 0 BCAERO C[C@H](C[NH3+])[C@H](O)c1cn(C)nc1Br ZINC000669378046 537965891 /nfs/dbraw/zinc/96/58/91/537965891.db2.gz RMYDIZQZWNHLMH-VDTYLAMSSA-N 1 0 248.124 0.811 10 0 BCAERO C[C@@H](C[NH3+])[C@@H](O)c1cnn(C)c1Cl ZINC000669378033 537965942 /nfs/dbraw/zinc/96/59/42/537965942.db2.gz RDKDFOMSJWJARL-CAHLUQPWSA-N 1 0 203.673 0.702 10 0 BCAERO C[C@]([NH3+])(CCNC(=O)[C@H]1CCOC1)C(F)F ZINC000669378265 537969241 /nfs/dbraw/zinc/96/92/41/537969241.db2.gz BUCIXDXMYYCUND-XVKPBYJWSA-N 1 0 236.262 0.512 10 0 BCAERO CC(C)[C@@H]1[NH2+]CC[C@@H]1c1nc(CN)no1 ZINC000381561702 346354599 /nfs/dbraw/zinc/35/45/99/346354599.db2.gz QNKORTJXPNSXCF-CBAPKCEASA-N 1 0 210.281 0.630 10 0 BCAERO CCOC(=O)CN1CC[C@H](CCO)C1 ZINC000161601951 346340667 /nfs/dbraw/zinc/34/06/67/346340667.db2.gz ITOIYBQENLNCKQ-SECBINFHSA-N 1 0 201.266 0.254 10 0 BCAERO Cc1cccc(CC[NH2+][C@@H]2COC[C@H]2O)c1 ZINC000051669709 179060708 /nfs/dbraw/zinc/06/07/08/179060708.db2.gz FAXGQEFCFDMHSR-CHWSQXEVSA-N 1 0 221.300 0.887 10 0 BCAERO CC[N@H+](C)C[C@@H]1C[NH2+]C[C@@H](C(=O)[O-])C1 ZINC000669379196 537975728 /nfs/dbraw/zinc/97/57/28/537975728.db2.gz WOMYXVKNBVMXKP-IUCAKERBSA-N 1 0 200.282 0.248 10 0 BCAERO C[S@](=O)C1(C[NH2+][C@@H]2CCCC[C@H]2O)CC1 ZINC000380165565 346393896 /nfs/dbraw/zinc/39/38/96/346393896.db2.gz FIUKMVNLJUJHBD-FCHSOHFDSA-N 1 0 231.361 0.791 10 0 BCAERO Cc1cccc(C[N@@H+]2CCC[C@](O)(C(N)=O)C2)c1 ZINC000284767557 179077800 /nfs/dbraw/zinc/07/78/00/179077800.db2.gz GWMYOUFJLLKYKR-CQSZACIVSA-N 1 0 248.326 0.807 10 0 BCAERO O=C(C1CCC1)N1CCC(OC2C[NH2+]C2)CC1 ZINC000675054834 537977966 /nfs/dbraw/zinc/97/79/66/537977966.db2.gz JQXSBSPFKQHAGE-UHFFFAOYSA-N 1 0 238.331 0.766 10 0 BCAERO COC[C@H]([NH3+])C(=O)Nc1cc(C)cc(C)c1O ZINC000160021436 346438741 /nfs/dbraw/zinc/43/87/41/346438741.db2.gz UGKYYFZHDGMLDB-VIFPVBQESA-N 1 0 238.287 0.921 10 0 BCAERO Cc1cc(C(=O)N2CC[C@@H]([NH+](C)C)C2)on1 ZINC000170858194 346462634 /nfs/dbraw/zinc/46/26/34/346462634.db2.gz CWFGXFZUFWCNPL-SECBINFHSA-N 1 0 223.276 0.759 10 0 BCAERO C[C@@H]1CSC(NN2CCOCC2)=[NH+]1 ZINC000148842209 346464980 /nfs/dbraw/zinc/46/49/80/346464980.db2.gz CNKJTVXPDWJYDR-SSDOTTSWSA-N 1 0 201.295 0.315 10 0 BCAERO c1cc(CN2CC[C@H]3OCC[NH2+][C@@H]3C2)sn1 ZINC000641797954 362738837 /nfs/dbraw/zinc/73/88/37/362738837.db2.gz AXTKFJGEATZVDA-GHMZBOCLSA-N 1 0 239.344 0.706 10 0 BCAERO COc1cc(CN2C[C@H](C)[C@H]([NH3+])C2)on1 ZINC000641800129 362750219 /nfs/dbraw/zinc/75/02/19/362750219.db2.gz WVJMEOGRQXGHHE-IONNQARKSA-N 1 0 211.265 0.462 10 0 BCAERO C[C@@H](C(=O)[O-])[C@H](C)[N@@H+]1CCC[C@@H]([NH3+])C1 ZINC000222011865 349970092 /nfs/dbraw/zinc/97/00/92/349970092.db2.gz DZOOJMYUUDSKBO-HRDYMLBCSA-N 1 0 200.282 0.519 10 0 BCAERO COC(=O)c1cn2cc(C[NH3+])ccc2n1 ZINC000669379803 537982318 /nfs/dbraw/zinc/98/23/18/537982318.db2.gz DSKNQYYNHNZVOM-UHFFFAOYSA-N 1 0 205.217 0.580 10 0 BCAERO CN1C[C@@H]([NH2+]C[C@H](O)C(C)(C)C)CC1=O ZINC000380040363 365824274 /nfs/dbraw/zinc/82/42/74/365824274.db2.gz UEPOMCSEDKISTJ-IUCAKERBSA-N 1 0 214.309 0.214 10 0 BCAERO CC(C)(C)[C@H](O)C[NH2+][C@H](CO)CC(F)F ZINC000563536445 323128971 /nfs/dbraw/zinc/12/89/71/323128971.db2.gz KXQXPJWMTKMKHV-JGVFFNPUSA-N 1 0 225.279 0.999 10 0 BCAERO COCC1(CC(=O)N2C[C@@H](C)[C@H]([NH3+])C2)CC1 ZINC000401264373 346537815 /nfs/dbraw/zinc/53/78/15/346537815.db2.gz SJCSQNVQYKLZPJ-NXEZZACHSA-N 1 0 226.320 0.609 10 0 BCAERO CCc1nnc(CN2CC[C@](C)(C[NH3+])C2)n1C ZINC000577112458 365820496 /nfs/dbraw/zinc/82/04/96/365820496.db2.gz XFZXEQKMGTUDDI-GFCCVEGCSA-N 1 0 237.351 0.548 10 0 BCAERO CS(=O)(=O)c1cnn([C@@H]2CC[C@@H]2C[NH3+])c1 ZINC000725242135 537983085 /nfs/dbraw/zinc/98/30/85/537983085.db2.gz HSDXOLHUDOBSIK-VXNVDRBHSA-N 1 0 229.305 0.196 10 0 BCAERO C[NH2+][C@H](C)C(=O)N[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000577123427 365826728 /nfs/dbraw/zinc/82/67/28/365826728.db2.gz LULOYNJYBAFFKT-UTINFBMNSA-N 1 0 214.309 0.667 10 0 BCAERO CO[C@H](C)C(=O)N1C[C@H](C)C[C@@H]([NH3+])C1 ZINC000163897660 346581714 /nfs/dbraw/zinc/58/17/14/346581714.db2.gz JOKQJALTZZOBKU-IWSPIJDZSA-N 1 0 200.282 0.217 10 0 BCAERO CC1([NH2+][C@H]2CCS(=O)(=O)C2)CCC1 ZINC000163906921 346582271 /nfs/dbraw/zinc/58/22/71/346582271.db2.gz NHQNOMABRQUECH-QMMMGPOBSA-N 1 0 203.307 0.706 10 0 BCAERO C[NH2+][C@H](C)C(=O)N1CCC(SC)CC1 ZINC000300852490 346582758 /nfs/dbraw/zinc/58/27/58/346582758.db2.gz NVWZOOKUBAKQCT-MRVPVSSYSA-N 1 0 216.350 0.948 10 0 BCAERO O=C1CCC2(CC1)[NH2+]CCc1nc[nH]c12 ZINC000725242215 537983905 /nfs/dbraw/zinc/98/39/05/537983905.db2.gz JAFBNHHLGWMGGG-UHFFFAOYSA-N 1 0 205.261 0.894 10 0 BCAERO O=C(NC1CCSCC1)C1C[NH2+]C1 ZINC000164170819 346594015 /nfs/dbraw/zinc/59/40/15/346594015.db2.gz KBERFWXWXCVAGE-UHFFFAOYSA-N 1 0 200.307 0.218 10 0 BCAERO COCCC(=O)N1CC([NH2+]C2CCC2)C1 ZINC000675055112 537985070 /nfs/dbraw/zinc/98/50/70/537985070.db2.gz NGTITPCNIIQOPK-UHFFFAOYSA-N 1 0 212.293 0.376 10 0 BCAERO COC[C@H]([NH3+])C(=O)N1CCC(SC)CC1 ZINC000300923047 346663436 /nfs/dbraw/zinc/66/34/36/346663436.db2.gz YXLAUTJSUQNYQK-VIFPVBQESA-N 1 0 232.349 0.314 10 0 BCAERO CC[N@@H+]1CCC[C@H](NC(=O)CCC(C)=O)C1 ZINC000203579163 346639634 /nfs/dbraw/zinc/63/96/34/346639634.db2.gz GTDLTKSATJGOAQ-NSHDSACASA-N 1 0 226.320 0.956 10 0 BCAERO CC(C)CNC(=[NH2+])[C@H]1CCS(=O)(=O)C1 ZINC000167413141 346708373 /nfs/dbraw/zinc/70/83/73/346708373.db2.gz ZULBQTPYUZWDCI-QMMMGPOBSA-N 1 0 218.322 0.644 10 0 BCAERO C[NH2+][C@H](C)C(=O)N(C)C[C@@H]1CCC[C@@H]1O ZINC000580210881 346682203 /nfs/dbraw/zinc/68/22/03/346682203.db2.gz HEHYONJCOSGZFT-UTLUCORTSA-N 1 0 214.309 0.214 10 0 BCAERO CCOC(=O)CC(=O)N1C[C@H]([NH3+])C(C)(C)C1 ZINC000669380185 537986059 /nfs/dbraw/zinc/98/60/59/537986059.db2.gz UERDYZQMDMCZND-QMMMGPOBSA-N 1 0 228.292 0.135 10 0 BCAERO Cn1cnc2c1[C@](C)([C@@H]1CCCO1)[NH2+]CC2 ZINC000725242556 537985884 /nfs/dbraw/zinc/98/58/84/537985884.db2.gz FPTOGWPEUCOFOF-JQWIXIFHSA-N 1 0 221.304 0.960 10 0 BCAERO Cc1cc(N)ccc1N[C@H]1C[NH2+]C[C@@H]1O ZINC000206325017 346745194 /nfs/dbraw/zinc/74/51/94/346745194.db2.gz GZRYKLNSRFNOMH-QWRGUYRKSA-N 1 0 207.277 0.322 10 0 BCAERO C[C@H]1C[C@@H]([NH2+]CCn2cncn2)c2nccn21 ZINC000381743952 346796674 /nfs/dbraw/zinc/79/66/74/346796674.db2.gz ZYOSCJTXCVQVQN-VHSXEESVSA-N 1 0 232.291 0.770 10 0 BCAERO Cc1cccc(OCC[NH2+][C@H]2COC[C@@H]2O)c1 ZINC000042896428 179167731 /nfs/dbraw/zinc/16/77/31/179167731.db2.gz PDCRHHZCXWYVOS-STQMWFEESA-N 1 0 237.299 0.723 10 0 BCAERO COc1cc([C@H]2CC[NH2+]C[C@H]2N)ccn1 ZINC000725242461 537987010 /nfs/dbraw/zinc/98/70/10/537987010.db2.gz HUCJNUDMIUAUFR-NXEZZACHSA-N 1 0 207.277 0.494 10 0 BCAERO C[C@]([NH3+])(Cc1cccc(C2=[NH+]CCN2)c1)C(=O)[O-] ZINC000038676333 347163929 /nfs/dbraw/zinc/16/39/29/347163929.db2.gz GLUPWSCXRYPKNH-ZDUSSCGKSA-N 1 0 247.298 0.381 10 0 BCAERO CO[C@@H]1CC[C@@H]2[NH2+]CCN(C(C)C)[C@H]2N1 ZINC000669380340 537986897 /nfs/dbraw/zinc/98/68/97/537986897.db2.gz LNARVMDLPCEQJW-HBNTYKKESA-N 1 0 213.325 0.351 10 0 BCAERO COc1cc(CN2C[C@H](C)[C@@H](C[NH3+])C2)on1 ZINC000641819026 362771131 /nfs/dbraw/zinc/77/11/31/362771131.db2.gz GIPOZVRMXDPEJU-IUCAKERBSA-N 1 0 225.292 0.710 10 0 BCAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)[C@H]1CCCCO1 ZINC000252546055 133649822 /nfs/dbraw/zinc/64/98/22/133649822.db2.gz KBORUTJTWBWZGO-HBNTYKKESA-N 1 0 226.320 0.812 10 0 BCAERO Cc1cccc([C@@H](C[NH3+])N2CCNC(=O)C2)c1 ZINC000042965502 179185105 /nfs/dbraw/zinc/18/51/05/179185105.db2.gz IKVNHDACZUKSRB-GFCCVEGCSA-N 1 0 233.315 0.427 10 0 BCAERO C1CC[NH+](C23CN4CN(CN(C4)C2)C3)CC1 ZINC000038888692 347170531 /nfs/dbraw/zinc/17/05/31/347170531.db2.gz DUWQWHZIWYLIKW-UHFFFAOYSA-N 1 0 222.336 0.030 10 0 BCAERO CCOC(=O)CN1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000601327329 347211711 /nfs/dbraw/zinc/21/17/11/347211711.db2.gz SWBDJQIPGPQVCB-IUCAKERBSA-N 1 0 200.282 0.076 10 0 BCAERO COC(=O)CC(=O)N[C@](C)(CC[NH3+])C(F)F ZINC000669380226 537987641 /nfs/dbraw/zinc/98/76/41/537987641.db2.gz JYYLTRMZNZRWBM-SECBINFHSA-N 1 0 238.234 0.038 10 0 BCAERO O=S1(=O)CC[C@H]([NH2+][C@H]2CCC[C@H]3C[C@H]32)C1 ZINC000382172737 347215041 /nfs/dbraw/zinc/21/50/41/347215041.db2.gz WZFIGKQNYSXJCK-MMWGEVLESA-N 1 0 229.345 0.952 10 0 BCAERO CC[C@@]1(COC)[NH2+]CCc2ncn(C)c21 ZINC000725242835 537988066 /nfs/dbraw/zinc/98/80/66/537988066.db2.gz XGKQYYVUIWVVKI-NSHDSACASA-N 1 0 209.293 0.818 10 0 BCAERO CCS(=O)(=O)N1[C@@H](C)CCC[C@H]1C[NH3+] ZINC000250245422 362797497 /nfs/dbraw/zinc/79/74/97/362797497.db2.gz OPHSVRHJGUKKRU-IUCAKERBSA-N 1 0 220.338 0.538 10 0 BCAERO CCN1CC[N@H+](CC(N)=S)C[C@H]1C ZINC000250331797 362799833 /nfs/dbraw/zinc/79/98/33/362799833.db2.gz OOYZGNRGPIAEOU-MRVPVSSYSA-N 1 0 201.339 0.299 10 0 BCAERO C[NH+](C)CCOc1cc(Cl)nc(N)n1 ZINC000087795664 362789165 /nfs/dbraw/zinc/78/91/65/362789165.db2.gz MJKMXKOQBNPGDV-UHFFFAOYSA-N 1 0 216.672 0.653 10 0 BCAERO CN(C[C@H]1CSCC[NH2+]1)[C@H]1CCOC1 ZINC000250490574 362805962 /nfs/dbraw/zinc/80/59/62/362805962.db2.gz XXNAPOCBKWNCJA-UWVGGRQHSA-N 1 0 216.350 0.412 10 0 BCAERO Cc1cccc2c1nc(CN(C)CC[NH3+])[nH]c2=O ZINC000054418852 179207611 /nfs/dbraw/zinc/20/76/11/179207611.db2.gz CPJMHFVWESRZMY-UHFFFAOYSA-N 1 0 246.314 0.622 10 0 BCAERO Cc1cccc([C@H](C[NH3+])N2CCNC(=O)[C@@H]2C)c1 ZINC000104135402 179198928 /nfs/dbraw/zinc/19/89/28/179198928.db2.gz ZHQAPFVCIDGBTF-AAEUAGOBSA-N 1 0 247.342 0.815 10 0 BCAERO [NH3+][C@@H]1CCC[C@@H]1NC(=O)[C@H]1CCCS1 ZINC000250644091 362814884 /nfs/dbraw/zinc/81/48/84/362814884.db2.gz ITWBSMUBHPKUPS-HRDYMLBCSA-N 1 0 214.334 0.878 10 0 BCAERO COCC[C@]1(C)[NH2+]CCc2ncn(C)c21 ZINC000725242774 537989077 /nfs/dbraw/zinc/98/90/77/537989077.db2.gz SCMMKLGFSSBINK-NSHDSACASA-N 1 0 209.293 0.818 10 0 BCAERO C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000191183373 347345047 /nfs/dbraw/zinc/34/50/47/347345047.db2.gz CDQJWJOIIYVNNN-SDDRHHMPSA-N 1 0 240.347 0.964 10 0 BCAERO CN[C@]1(C(=O)OC)CC[N@@H+]2CCC[C@H]2C1 ZINC000250749084 362818674 /nfs/dbraw/zinc/81/86/74/362818674.db2.gz OOTNFYHXLZXZPX-GXSJLCMTSA-N 1 0 212.293 0.376 10 0 BCAERO OC1(C[NH2+]CCOC(F)(F)F)CCOCC1 ZINC000088034217 362836274 /nfs/dbraw/zinc/83/62/74/362836274.db2.gz DHYSSHCJRXQLLW-UHFFFAOYSA-N 1 0 243.225 0.654 10 0 BCAERO CS(=O)(=O)[C@@H]1CCC[C@]12C[C@H]2C[NH3+] ZINC000250940584 362827560 /nfs/dbraw/zinc/82/75/60/362827560.db2.gz IQXOVGMMJVDOQK-DJLDLDEBSA-N 1 0 203.307 0.549 10 0 BCAERO CC(C)(C)[C@H](O)C[NH2+][C@@H]1CCNC(=O)CC1 ZINC000396669140 362827754 /nfs/dbraw/zinc/82/77/54/362827754.db2.gz QRUSNMKIYDERMD-VHSXEESVSA-N 1 0 228.336 0.652 10 0 BCAERO NC(=S)[C@H]1CCC[N@@H+]1C[C@H]1CCCO1 ZINC000250977627 362828809 /nfs/dbraw/zinc/82/88/09/362828809.db2.gz AYPOIBOOWQYHDM-RKDXNWHRSA-N 1 0 214.334 0.916 10 0 BCAERO CC(C)[C@@H](CCO)[NH2+]C[C@H]1CNC(=O)O1 ZINC000380116997 365896198 /nfs/dbraw/zinc/89/61/98/365896198.db2.gz PRIXHAMCXRFSBR-DTWKUNHWSA-N 1 0 216.281 0.091 10 0 BCAERO CC(C)=C[C@@H]([NH3+])[C@@H]1CCS(=O)(=O)C1 ZINC000149992752 347583778 /nfs/dbraw/zinc/58/37/78/347583778.db2.gz WYLHTYWWFNFZTD-RKDXNWHRSA-N 1 0 203.307 0.715 10 0 BCAERO CC[C@@H]1CC[NH2+]C[C@H]1NC(=O)C1CCOCC1 ZINC000616569349 347649073 /nfs/dbraw/zinc/64/90/73/347649073.db2.gz INSGNFWVENXZSM-ZYHUDNBSSA-N 1 0 240.347 0.917 10 0 BCAERO Cc1ccccc1C[C@@H](C)[NH2+][C@H]1CC(=O)NC1=O ZINC000037789229 179288783 /nfs/dbraw/zinc/28/87/83/179288783.db2.gz PQCRHSOFBLLTKB-PWSUYJOCSA-N 1 0 246.310 0.931 10 0 BCAERO COC(=O)[C@@H]1CCCCN1C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000592558210 347800546 /nfs/dbraw/zinc/80/05/46/347800546.db2.gz QEQSPYPCUOLTIK-AEJSXWLSSA-N 1 0 240.303 0.278 10 0 BCAERO COc1cccc([C@H](C(CO)CO)[NH+](C)C)c1 ZINC000196151535 347810547 /nfs/dbraw/zinc/81/05/47/347810547.db2.gz WQUJLIYXUNDWRY-CYBMUJFWSA-N 1 0 239.315 0.899 10 0 BCAERO COc1ccc([C@@H](C(CO)CO)[NH+](C)C)cc1 ZINC000196151544 347810782 /nfs/dbraw/zinc/81/07/82/347810782.db2.gz GIVYAEFPTNGOTK-ZDUSSCGKSA-N 1 0 239.315 0.899 10 0 BCAERO Cc1ccccc1NC(=O)C[NH2+]CCC(N)=O ZINC000036747322 179299532 /nfs/dbraw/zinc/29/95/32/179299532.db2.gz WAZQMYFMIPUCKX-UHFFFAOYSA-N 1 0 235.287 0.399 10 0 BCAERO O=C(c1cnccn1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000027932729 347889685 /nfs/dbraw/zinc/88/96/85/347889685.db2.gz SGJNRCYIDCHCJZ-SNVBAGLBSA-N 1 0 232.287 0.397 10 0 BCAERO Cc1ccccc1OCCS(=O)(=O)CC[NH3+] ZINC000020399441 179311984 /nfs/dbraw/zinc/31/19/84/179311984.db2.gz CSQKPTJDERRUQE-UHFFFAOYSA-N 1 0 243.328 0.747 10 0 BCAERO C[C@H]1COC[C@H](C)N1C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000577375115 365937829 /nfs/dbraw/zinc/93/78/29/365937829.db2.gz SPXVRXJVADUHOC-AATLWQCWSA-N 1 0 212.293 0.360 10 0 BCAERO COC(=O)[C@@H]1CCCN(C(=O)C(C)(C)C[NH3+])C1 ZINC000593911405 347970190 /nfs/dbraw/zinc/97/01/90/347970190.db2.gz AXMXEJHAZASLHR-SECBINFHSA-N 1 0 242.319 0.383 10 0 BCAERO C[C@H](C[NH+]1CCC(O)CC1)C(N)=S ZINC000036986850 347998167 /nfs/dbraw/zinc/99/81/67/347998167.db2.gz SOYDYFHOBMVYJT-SSDOTTSWSA-N 1 0 202.323 0.365 10 0 BCAERO C[C@@H](C[NH+]1CCC(O)CC1)C(N)=S ZINC000036986849 347998323 /nfs/dbraw/zinc/99/83/23/347998323.db2.gz SOYDYFHOBMVYJT-ZETCQYMHSA-N 1 0 202.323 0.365 10 0 BCAERO [NH3+][C@@H](CC[NH+]1CCCCCC1)C(=O)[O-] ZINC000062441220 537997227 /nfs/dbraw/zinc/99/72/27/537997227.db2.gz QPRIBBAPFUEKEC-VIFPVBQESA-N 1 0 200.282 0.664 10 0 BCAERO [NH3+][C@H](CC[NH+]1CCCCCC1)C(=O)[O-] ZINC000062441221 537997298 /nfs/dbraw/zinc/99/72/98/537997298.db2.gz QPRIBBAPFUEKEC-SECBINFHSA-N 1 0 200.282 0.664 10 0 BCAERO CC[C@H](Cn1cc(C(C)(C)[NH3+])nn1)OC ZINC000397108531 362853928 /nfs/dbraw/zinc/85/39/28/362853928.db2.gz PKYGZHHTSTTWLR-MRVPVSSYSA-N 1 0 212.297 0.897 10 0 BCAERO CCSC1(CNC(=O)[C@H]2CC[NH2+]C2)CC1 ZINC000595258123 348205731 /nfs/dbraw/zinc/20/57/31/348205731.db2.gz KFJNBXPYJMUGMV-VIFPVBQESA-N 1 0 228.361 0.998 10 0 BCAERO [NH3+][C@@H]1CCCC[C@@H]1NC(=O)[C@H]1CCOC1 ZINC000251281407 362854754 /nfs/dbraw/zinc/85/47/54/362854754.db2.gz MSWLTMBFMLVJBA-AEJSXWLSSA-N 1 0 212.293 0.409 10 0 BCAERO Fc1ccc2nnc([C@@H]3C[NH2+]CCN3)n2c1 ZINC000224985743 348273389 /nfs/dbraw/zinc/27/33/89/348273389.db2.gz ZPPXJBAMPIQYGV-QMMMGPOBSA-N 1 0 221.239 0.102 10 0 BCAERO CN(Cc1cn[nH]c1)C(=O)[C@H]1CCC[NH2+]C1 ZINC000069763686 490158502 /nfs/dbraw/zinc/15/85/02/490158502.db2.gz KOXPQXAJDBALRB-JTQLQIEISA-N 1 0 222.292 0.368 10 0 BCAERO C[C@@H]1CCN(S(=O)(=O)[C@H]2CC[NH2+]C2)C1 ZINC000251532935 362884755 /nfs/dbraw/zinc/88/47/55/362884755.db2.gz AWRPTRMWHBTCTK-BDAKNGLRSA-N 1 0 218.322 0.020 10 0 BCAERO C[C@@H]1CC[S@](=O)[C@@H]2COCC[C@H]2[NH2+]1 ZINC000251556943 362886458 /nfs/dbraw/zinc/88/64/58/362886458.db2.gz CLQPTDYYBFCAOQ-LHGDZMGGSA-N 1 0 203.307 0.274 10 0 BCAERO C[C@H](C[NH3+])S(=O)(=O)N1CC[C@H](C)C1 ZINC000251729768 362902218 /nfs/dbraw/zinc/90/22/18/362902218.db2.gz QKGAZMBEWGMTHQ-JGVFFNPUSA-N 1 0 206.311 0.005 10 0 BCAERO COC(=O)[C@@H]1C[N@@H+]([C@H]2CCOC2)C[C@@H]1C ZINC000251732392 362903994 /nfs/dbraw/zinc/90/39/94/362903994.db2.gz KJGJNYZQZCHLHQ-LPEHRKFASA-N 1 0 213.277 0.516 10 0 BCAERO COCc1nc([C@H]2CCC[NH2+]2)cc(=O)[nH]1 ZINC000669382099 538002383 /nfs/dbraw/zinc/00/23/83/538002383.db2.gz GKOZHQHAUJDOIW-SSDOTTSWSA-N 1 0 209.249 0.753 10 0 BCAERO O=C([C@@H](O)C[NH2+]C1CCC1)N1CCCC1 ZINC000669381988 538002409 /nfs/dbraw/zinc/00/24/09/538002409.db2.gz CWADGXVEMVJKDO-JTQLQIEISA-N 1 0 212.293 0.112 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)NC[C@@H]2CCC[NH2+]2)O1 ZINC000088142066 362907255 /nfs/dbraw/zinc/90/72/55/362907255.db2.gz XLMBOGIBPDNPNW-KXUCPTDWSA-N 1 0 212.293 0.422 10 0 BCAERO COCc1nc([C@@H]2CCC[NH2+]2)cc(=O)[nH]1 ZINC000669382101 538002427 /nfs/dbraw/zinc/00/24/27/538002427.db2.gz GKOZHQHAUJDOIW-ZETCQYMHSA-N 1 0 209.249 0.753 10 0 BCAERO CCOC(=O)[C@@H]1O[C@@]1(C)CC[NH+](C)C ZINC000669382134 538002455 /nfs/dbraw/zinc/00/24/55/538002455.db2.gz ALNGDMMRRSLPOL-WPRPVWTQSA-N 1 0 201.266 0.659 10 0 BCAERO C[C@H]1CN(C[C@H]2CC[N@H+](C)C2)CCC1=O ZINC000251785702 362918597 /nfs/dbraw/zinc/91/85/97/362918597.db2.gz NECNCRLVFAYQFW-QWRGUYRKSA-N 1 0 210.321 0.849 10 0 BCAERO C[C@@H](C[N@@H+]1CCN(C)[C@H](C)C1)C(N)=S ZINC000251796966 362920756 /nfs/dbraw/zinc/92/07/56/362920756.db2.gz NTDFTJZWDNDRIR-DTWKUNHWSA-N 1 0 215.366 0.545 10 0 BCAERO CCSC1(CNC(=O)[C@H]([NH3+])COC)CC1 ZINC000595945136 348410726 /nfs/dbraw/zinc/41/07/26/348410726.db2.gz RKYSOQSXJXWIID-MRVPVSSYSA-N 1 0 232.349 0.362 10 0 BCAERO COC(=O)[C@@H]1O[C@@]12CCC[C@@H]([NH+](C)C)C2 ZINC000669382801 538002780 /nfs/dbraw/zinc/00/27/80/538002780.db2.gz LZSNQOLVRYMJCG-WCABBAIRSA-N 1 0 213.277 0.801 10 0 BCAERO CCOC(=O)CC[C@H](O)C[NH2+]C1CC(CO)C1 ZINC000596067017 348436602 /nfs/dbraw/zinc/43/66/02/348436602.db2.gz JGPVAICEUDIYSK-ILDUYXDCSA-N 1 0 245.319 0.051 10 0 BCAERO O=C([C@H]1CCCO1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000027932795 348466470 /nfs/dbraw/zinc/46/64/70/348466470.db2.gz IFVSAUCUZAOEEB-GHMZBOCLSA-N 1 0 224.304 0.472 10 0 BCAERO COCC[C@H](CO)[NH2+]C[C@H](O)C(C)(C)C ZINC000308776006 348543425 /nfs/dbraw/zinc/54/34/25/348543425.db2.gz AEXMHZNORFMSJB-ZJUUUORDSA-N 1 0 219.325 0.380 10 0 BCAERO C[C@H]([NH2+]C[C@H](O)C(C)(C)C)C(=O)N(C)C ZINC000308778495 348547563 /nfs/dbraw/zinc/54/75/63/348547563.db2.gz BNUMHINGDNJQQP-IUCAKERBSA-N 1 0 216.325 0.460 10 0 BCAERO C[C@@H]1C[NH2+]C[C@@]12CC1(CC[C@@H]2O)OCCO1 ZINC000725246631 538006712 /nfs/dbraw/zinc/00/67/12/538006712.db2.gz ZYVZSKZRLJVXOV-VWYCJHECSA-N 1 0 227.304 0.500 10 0 BCAERO COC(=O)[C@]1(Cl)O[C@@]1(C)CC[NH+](C)C ZINC000669383396 538008770 /nfs/dbraw/zinc/00/87/70/538008770.db2.gz PFPLGQSXVYVDKW-IUCAKERBSA-N 1 0 221.684 0.835 10 0 BCAERO C[C@@H]1C[NH2+]C[C@]12OC(C)(C)OC[C@H]2O ZINC000725246045 538007189 /nfs/dbraw/zinc/00/71/89/538007189.db2.gz QLFRTQYVDLDCCV-MRTMQBJTSA-N 1 0 201.266 0.108 10 0 BCAERO Cc1ccsc1[C@H](CO)N1CC[NH2+]CC1 ZINC000041675006 179556492 /nfs/dbraw/zinc/55/64/92/179556492.db2.gz CSDOSAOPCVBWJG-JTQLQIEISA-N 1 0 226.345 0.995 10 0 BCAERO CS[C@@H]1CC[C@H]1[NH2+][C@@H]1CCNC1=O ZINC000597171621 348668249 /nfs/dbraw/zinc/66/82/49/348668249.db2.gz XUVQYRRMAKROIO-BWZBUEFSSA-N 1 0 200.307 0.359 10 0 BCAERO CS[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCNC1=O ZINC000597171623 348668276 /nfs/dbraw/zinc/66/82/76/348668276.db2.gz XUVQYRRMAKROIO-XLPZGREQSA-N 1 0 200.307 0.359 10 0 BCAERO CCSCC[NH2+]C[C@@H]1CC(=O)N(C)C1 ZINC000597214246 348689824 /nfs/dbraw/zinc/68/98/24/348689824.db2.gz UKBLOYUDLPOYKR-VIFPVBQESA-N 1 0 216.350 0.807 10 0 BCAERO Cc1cnc([C@@H](C)NC(=O)C2C[NH2+]C2)s1 ZINC000126133890 179646641 /nfs/dbraw/zinc/64/66/41/179646641.db2.gz SNEPVKFOAVAPRK-SSDOTTSWSA-N 1 0 225.317 0.848 10 0 BCAERO Cc1cnc([S@@](=O)[C@@H]2CC[NH2+]C2)nc1Cl ZINC000095068698 179656701 /nfs/dbraw/zinc/65/67/01/179656701.db2.gz VPXZYWWDLITAEW-KWKYVRJSSA-N 1 0 245.735 0.908 10 0 BCAERO C[C@@]1(C(=O)NCc2cocn2)CCCC[NH2+]1 ZINC000397873320 362929901 /nfs/dbraw/zinc/92/99/01/362929901.db2.gz GQKAXULXTNPEDH-NSHDSACASA-N 1 0 223.276 0.823 10 0 BCAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1CCOCCO ZINC000082849781 348842691 /nfs/dbraw/zinc/84/26/91/348842691.db2.gz KQDTZZWGBWGLBS-NWDGAFQWSA-N 1 0 228.336 0.164 10 0 BCAERO Cn1nccc1[C@H](O)[C@H]1CCCC[N@@H+]1C ZINC000521402179 323201215 /nfs/dbraw/zinc/20/12/15/323201215.db2.gz WSBBBVVQCQVRIA-MWLCHTKSSA-N 1 0 209.293 0.938 10 0 BCAERO CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](C)[NH2+]C ZINC000054071689 348873756 /nfs/dbraw/zinc/87/37/56/348873756.db2.gz VGRAIZYZNVZHKZ-ZJUUUORDSA-N 1 0 213.325 0.195 10 0 BCAERO C[NH2+][C@H](C)C(=O)N(CCOC)CC(C)C ZINC000054075063 348877044 /nfs/dbraw/zinc/87/70/44/348877044.db2.gz CYKOADHPXMJZHB-SNVBAGLBSA-N 1 0 216.325 0.725 10 0 BCAERO C[NH2+][C@H](C)C(=O)NCc1ccccc1C[NH+](C)C ZINC000054076406 348879490 /nfs/dbraw/zinc/87/94/90/348879490.db2.gz VKJSEXCCKAZNRE-LLVKDONJSA-N 1 0 249.358 0.972 10 0 BCAERO Cn1cc(CNC(=O)C[C@@H]2CCC[NH2+]C2)cn1 ZINC000054292398 348963443 /nfs/dbraw/zinc/96/34/43/348963443.db2.gz YYIXKKZPXCRQMI-JTQLQIEISA-N 1 0 236.319 0.426 10 0 BCAERO COCCN(C)C(=O)C[C@H]1CCC[NH2+]C1 ZINC000054291275 348963487 /nfs/dbraw/zinc/96/34/87/348963487.db2.gz PEOAEDWAXCCSJO-SNVBAGLBSA-N 1 0 214.309 0.481 10 0 BCAERO C[C@@H]1C[C@H](NC(=O)[C@]2(C)CCCC[NH2+]2)CO1 ZINC000401988851 349040364 /nfs/dbraw/zinc/04/03/64/349040364.db2.gz CBBKDSPJVOUWSQ-SCVCMEIPSA-N 1 0 226.320 0.812 10 0 BCAERO O=S1(=O)CCC[C@H]([NH2+][C@H]2CCC[C@H](O)C2)C1 ZINC000250671225 538024094 /nfs/dbraw/zinc/02/40/94/538024094.db2.gz UVSWVJMPMUPEAU-DCAQKATOSA-N 1 0 247.360 0.457 10 0 BCAERO COC[C@H](C)[NH2+]CC1(CC(=O)OC)CC1 ZINC000308900850 349056423 /nfs/dbraw/zinc/05/64/23/349056423.db2.gz BIHRUMXOQIJZHJ-VIFPVBQESA-N 1 0 215.293 0.954 10 0 BCAERO CC[C@@H](C)[C@H]([NH3+])c1nnc2c(=O)n(C)ccn21 ZINC000616574868 349082264 /nfs/dbraw/zinc/08/22/64/349082264.db2.gz ZIYMUFZGBNRECV-SFYZADRCSA-N 1 0 235.291 0.474 10 0 BCAERO C[C@H](NC(=O)[C@@H]1CCC[C@H]([NH3+])C1)C(=O)N(C)C ZINC000055087736 349084366 /nfs/dbraw/zinc/08/43/66/349084366.db2.gz TZXAZWNYNALGDR-AEJSXWLSSA-N 1 0 241.335 0.097 10 0 BCAERO C[C@H](NC(=O)[C@H]1CCC[C@H]([NH3+])C1)C(=O)N(C)C ZINC000055087740 349084409 /nfs/dbraw/zinc/08/44/09/349084409.db2.gz TZXAZWNYNALGDR-GUBZILKMSA-N 1 0 241.335 0.097 10 0 BCAERO Cn1ncc(C[NH3+])c1C(=O)OC(C)(C)C ZINC000616575710 349094129 /nfs/dbraw/zinc/09/41/29/349094129.db2.gz CIAZURBXCJQNOF-UHFFFAOYSA-N 1 0 211.265 0.834 10 0 BCAERO O=C(C1CCOCC1)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000616573077 349064140 /nfs/dbraw/zinc/06/41/40/349064140.db2.gz WKLLKYOCZMYGIS-RYUDHWBXSA-N 1 0 238.331 0.766 10 0 BCAERO C[C@H](CC(=[NH2+])NO)n1cc(S(C)(=O)=O)cn1 ZINC000725251419 538029781 /nfs/dbraw/zinc/02/97/81/538029781.db2.gz HTNHYFKKLMJRNR-ZCFIWIBFSA-N 1 0 246.292 0.194 10 0 BCAERO CC[C@H](C[NH3+])n1cc(S(C)(=O)=O)cn1 ZINC000725251589 538030730 /nfs/dbraw/zinc/03/07/30/538030730.db2.gz CAAPRRNMPVXPDN-SSDOTTSWSA-N 1 0 217.294 0.196 10 0 BCAERO CS(=O)(=O)c1cnn([C@@H]2CCC[C@H]2C[NH3+])c1 ZINC000725251578 538030744 /nfs/dbraw/zinc/03/07/44/538030744.db2.gz BXKHDTNQFWZHSM-WCBMZHEXSA-N 1 0 243.332 0.587 10 0 BCAERO CS(=O)(=O)c1cnn(C[C@H]2CCC[NH2+]2)c1 ZINC000725252223 538033130 /nfs/dbraw/zinc/03/31/30/538033130.db2.gz KSFMWRYTKOVCCN-MRVPVSSYSA-N 1 0 229.305 0.039 10 0 BCAERO C[C@H](CC[NH3+])n1cc(S(C)(=O)=O)cn1 ZINC000725252226 538033158 /nfs/dbraw/zinc/03/31/58/538033158.db2.gz KWNXTYGONKXTHB-SSDOTTSWSA-N 1 0 217.294 0.196 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)O1 ZINC000252687673 349210615 /nfs/dbraw/zinc/21/06/15/349210615.db2.gz LZXQJLWMYADIRV-WISYIIOYSA-N 1 0 238.331 0.907 10 0 BCAERO CS(=O)(=O)c1cnn(CCCC[NH3+])c1 ZINC000725253265 538036050 /nfs/dbraw/zinc/03/60/50/538036050.db2.gz SNDWHCLJJYYFQS-UHFFFAOYSA-N 1 0 217.294 0.026 10 0 BCAERO C[NH2+]C[C@@]1(O)CCCN(c2cnccn2)C1 ZINC000616580032 349237800 /nfs/dbraw/zinc/23/78/00/349237800.db2.gz STJBWPMKHMWQGZ-NSHDSACASA-N 1 0 222.292 0.027 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)O1 ZINC000251908411 349193592 /nfs/dbraw/zinc/19/35/92/349193592.db2.gz TUUSUSXRVVTRFQ-GWOFURMSSA-N 1 0 226.320 0.750 10 0 BCAERO CC(C)(C)[C@H]([NH3+])Cn1cc(S(C)(=O)=O)cn1 ZINC000725252530 538033906 /nfs/dbraw/zinc/03/39/06/538033906.db2.gz MVFVHRVEHLKVFB-SECBINFHSA-N 1 0 245.348 0.660 10 0 BCAERO CCc1nn(C)cc1C[NH2+]CC1CC(O)C1 ZINC000167874879 349291953 /nfs/dbraw/zinc/29/19/53/349291953.db2.gz BPHIRXIOILRABH-UHFFFAOYSA-N 1 0 223.320 0.843 10 0 BCAERO C[NH2+]C[C@@]1(O)CCCN(c2cc(C)ncn2)C1 ZINC000616580102 349243787 /nfs/dbraw/zinc/24/37/87/349243787.db2.gz UWFFSTAWFRPVFO-LBPRGKRZSA-N 1 0 236.319 0.336 10 0 BCAERO CS(=O)(=O)c1cnn([C@@H]2CCC[C@H]2[NH3+])c1 ZINC000725253283 538036453 /nfs/dbraw/zinc/03/64/53/538036453.db2.gz SYCLNMLLYUQMKX-RKDXNWHRSA-N 1 0 229.305 0.339 10 0 BCAERO C[C@@H](C[NH2+]CC1(O)CCOCC1)N(C)C ZINC000308999803 349267877 /nfs/dbraw/zinc/26/78/77/349267877.db2.gz NTRHKKQPLQGUFK-JTQLQIEISA-N 1 0 216.325 0.068 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@@H]1CCO[C@@H](C)C1 ZINC000388647238 349302037 /nfs/dbraw/zinc/30/20/37/349302037.db2.gz DCLOGXQEZSATQL-WRWGMCAJSA-N 1 0 240.347 0.773 10 0 BCAERO CS(=O)(=O)c1cnn(C[C@H]2CCCC[NH2+]2)c1 ZINC000725253583 538037211 /nfs/dbraw/zinc/03/72/11/538037211.db2.gz XVBXJHVBHNMWID-SECBINFHSA-N 1 0 243.332 0.429 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@H]1CCO[C@@H](C)C1 ZINC000388647236 349302381 /nfs/dbraw/zinc/30/23/81/349302381.db2.gz DCLOGXQEZSATQL-NOOOWODRSA-N 1 0 240.347 0.773 10 0 BCAERO CN(C)Cc1nc2c(n1C)[C@@H]([NH3+])CCC2 ZINC000725253754 538039238 /nfs/dbraw/zinc/03/92/38/538039238.db2.gz XEMJKHHWURXNKH-QMMMGPOBSA-N 1 0 208.309 0.818 10 0 BCAERO CCOC(=O)CNC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000601970986 349407477 /nfs/dbraw/zinc/40/74/77/349407477.db2.gz SHACNAPOTLNCOB-CABZTGNLSA-N 1 0 240.303 0.055 10 0 BCAERO C[C@H]1OCCN(C(=O)[C@H]2CC[NH2+]C2)[C@H]1C ZINC000225616346 538040500 /nfs/dbraw/zinc/04/05/00/538040500.db2.gz GZXLZDTTXRPKRJ-AEJSXWLSSA-N 1 0 212.293 0.232 10 0 BCAERO Cn1ccnc(N2CCC(CC[NH3+])CC2)c1=O ZINC000061752678 349381851 /nfs/dbraw/zinc/38/18/51/349381851.db2.gz TYMBGDBULZNWRO-UHFFFAOYSA-N 1 0 236.319 0.346 10 0 BCAERO Cc1nc(C)n(-c2nccnc2C[NH3+])n1 ZINC000054378304 179921354 /nfs/dbraw/zinc/92/13/54/179921354.db2.gz VISQHPSRPNXYHN-UHFFFAOYSA-N 1 0 204.237 0.133 10 0 BCAERO [NH3+]Cc1cc(N2CCC3(C2)OCCO3)ccn1 ZINC000307177958 538045358 /nfs/dbraw/zinc/04/53/58/538045358.db2.gz XZNOEHSGVBIRET-UHFFFAOYSA-N 1 0 235.287 0.494 10 0 BCAERO CNC(=O)CC[C@]1(OC)CCC[NH2+]C1 ZINC000616590616 350014188 /nfs/dbraw/zinc/01/41/88/350014188.db2.gz JCVJSDWVKNZHJG-SNVBAGLBSA-N 1 0 200.282 0.281 10 0 BCAERO Cn1cncc1[C@H]1[C@@H]([NH3+])CCC(=O)N1C1CC1 ZINC000090166894 191001415 /nfs/dbraw/zinc/00/14/15/191001415.db2.gz UIRUZPCIRDZFOC-JOYOIKCWSA-N 1 0 234.303 0.573 10 0 BCAERO Cn1cncc1[C@H]1[C@H]([NH3+])CCC(=O)N1C1CC1 ZINC000090166890 191001444 /nfs/dbraw/zinc/00/14/44/191001444.db2.gz UIRUZPCIRDZFOC-BXKDBHETSA-N 1 0 234.303 0.573 10 0 BCAERO C[NH2+][C@@H](C)C(=O)Nc1nc(C(C)=O)cs1 ZINC000070886051 350072991 /nfs/dbraw/zinc/07/29/91/350072991.db2.gz BLVZBKWYTQFLTB-YFKPBYRVSA-N 1 0 227.289 0.892 10 0 BCAERO CO[C@H]1C[NH2+][C@@H](C(=O)Nc2cc(C)n(C)n2)C1 ZINC000302318679 350073224 /nfs/dbraw/zinc/07/32/24/350073224.db2.gz PLHHJAPHVBJYHB-RKDXNWHRSA-N 1 0 238.291 0.044 10 0 BCAERO CC[N@H+](CCOCCO)[C@@H]1CCC[C@H]1O ZINC000328420062 490294178 /nfs/dbraw/zinc/29/41/78/490294178.db2.gz YLICZBCLCVMLFO-GHMZBOCLSA-N 1 0 217.309 0.231 10 0 BCAERO C[C@H]1CN(c2cc(C#N)cnn2)C[C@H]1[NH+](C)C ZINC000397003525 350034195 /nfs/dbraw/zinc/03/41/95/350034195.db2.gz VCFPSVIHOSEYGT-GXSJLCMTSA-N 1 0 231.303 0.735 10 0 BCAERO Cc1nc(CNC(=O)[C@H]2CC[NH2+]C2)cs1 ZINC000062116367 179966345 /nfs/dbraw/zinc/96/63/45/179966345.db2.gz VMHCPWDLNWBEHN-QMMMGPOBSA-N 1 0 225.317 0.677 10 0 BCAERO COC1CCN(C(=O)[C@@]2(C)CCC[NH2+]2)CC1 ZINC000070652832 350039374 /nfs/dbraw/zinc/03/93/74/350039374.db2.gz HDPHWXFQXDRDNU-GFCCVEGCSA-N 1 0 226.320 0.766 10 0 BCAERO Cc1nc(Cc2nnc(CC[NH3+])[nH]2)cs1 ZINC000061844055 179986310 /nfs/dbraw/zinc/98/63/10/179986310.db2.gz MWPQVFQIUZFSFE-UHFFFAOYSA-N 1 0 223.305 0.662 10 0 BCAERO CC(C)C(=[NH2+])N1CCS(=O)(=O)CC1 ZINC000062990694 350100650 /nfs/dbraw/zinc/10/06/50/350100650.db2.gz OLXXVGCFHVXASC-UHFFFAOYSA-N 1 0 204.295 0.350 10 0 BCAERO O=C1c2ccccc2C(=O)N1[C@H]1CC[NH2+]C1 ZINC000051783684 350110448 /nfs/dbraw/zinc/11/04/48/350110448.db2.gz YPYAXLYQTIYYFM-QMMMGPOBSA-N 1 0 216.240 0.645 10 0 BCAERO Cc1nc(N2CCC[NH2+]CC2)[nH]c(=O)c1C ZINC000045946881 180002213 /nfs/dbraw/zinc/00/22/13/180002213.db2.gz IMUIVMOVISBXHC-UHFFFAOYSA-N 1 0 222.292 0.186 10 0 BCAERO CN1C(=O)CC[C@H]([NH2+]C[C@@H](O)C(C)(C)C)C1=O ZINC000302417492 350088787 /nfs/dbraw/zinc/08/87/87/350088787.db2.gz QHRJVEGXOBVRKN-DTWKUNHWSA-N 1 0 242.319 0.130 10 0 BCAERO CC(C)NC(=O)NC[C@@H]([NH3+])[C@H]1CCOC1 ZINC000725255190 538050616 /nfs/dbraw/zinc/05/06/16/538050616.db2.gz VOLHSFJNRGRSEM-DTWKUNHWSA-N 1 0 215.297 0.058 10 0 BCAERO Cc1nc(NC[C@H]2CCC[NH2+]C2)[nH]c(=O)c1C ZINC000045946925 180019133 /nfs/dbraw/zinc/01/91/33/180019133.db2.gz APXYCNUSXXBMDW-JTQLQIEISA-N 1 0 236.319 0.798 10 0 BCAERO Cn1ccnc1CNC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000071276160 350096000 /nfs/dbraw/zinc/09/60/00/350096000.db2.gz JZGZNUWAQMVUHM-JTQLQIEISA-N 1 0 236.319 0.426 10 0 BCAERO COC(C)(C)C(=O)N1CC[NH2+]C[C@H]1C ZINC000230943248 350096693 /nfs/dbraw/zinc/09/66/93/350096693.db2.gz GYEIEOWTXFPTMD-MRVPVSSYSA-N 1 0 200.282 0.232 10 0 BCAERO O=C(c1c[nH]c(=O)[nH]c1=O)[C@H]1CCC[NH2+]C1 ZINC000616591651 350097158 /nfs/dbraw/zinc/09/71/58/350097158.db2.gz PMRXYGVDZCHEPR-LURJTMIESA-N 1 0 223.232 0.070 10 0 BCAERO CC[C@H]1CC[N@H+](C[C@H](O)CN2CCCC2=O)C1 ZINC000131559979 191016096 /nfs/dbraw/zinc/01/60/96/191016096.db2.gz WYUXGCVGAJRFOX-RYUDHWBXSA-N 1 0 240.347 0.702 10 0 BCAERO Cc1nc([C@H]2CCC[N@@H+]2CCO)cc(=O)[nH]1 ZINC000072381338 180057024 /nfs/dbraw/zinc/05/70/24/180057024.db2.gz YIDXQOGRVXOVTM-SNVBAGLBSA-N 1 0 223.276 0.208 10 0 BCAERO [NH3+]Cc1ccc(Cl)c2c1C[NH2+][C@@H](C(=O)[O-])C2 ZINC000725255710 538053131 /nfs/dbraw/zinc/05/31/31/538053131.db2.gz JKLCRKXHSSQRJX-SNVBAGLBSA-N 1 0 240.690 0.898 10 0 BCAERO CC(C)NC(=O)NC[C@H]([NH3+])[C@@H]1CCOC1 ZINC000725255189 538050959 /nfs/dbraw/zinc/05/09/59/538050959.db2.gz VOLHSFJNRGRSEM-BDAKNGLRSA-N 1 0 215.297 0.058 10 0 BCAERO CCCCNC(=O)NC[C@H]([NH3+])C1CCOCC1 ZINC000725255141 538051052 /nfs/dbraw/zinc/05/10/52/538051052.db2.gz UMRMANMLMLYNFB-NSHDSACASA-N 1 0 243.351 0.840 10 0 BCAERO Cc1cc(C[NH3+])cc2c1C[C@H](C(=O)[O-])[NH2+]C2 ZINC000725255517 538051762 /nfs/dbraw/zinc/05/17/62/538051762.db2.gz CXRISBRPNDWZIV-LLVKDONJSA-N 1 0 220.272 0.553 10 0 BCAERO CCCCC(=O)N1CCN([C@@H](C)C[NH3+])CC1 ZINC000082427328 168613699 /nfs/dbraw/zinc/61/36/99/168613699.db2.gz DTTCYKPRUUDOBS-NSHDSACASA-N 1 0 227.352 0.668 10 0 BCAERO CC[NH2+][C@@H](C(N)=O)[C@H](C)n1nccc1C ZINC000725255991 538054279 /nfs/dbraw/zinc/05/42/79/538054279.db2.gz OCINDUGJDXGYOV-DTWKUNHWSA-N 1 0 210.281 0.216 10 0 BCAERO CCC1CCC2(CC1)[C@H]([NH3+])CS(=O)(=O)N2C ZINC000725256403 538055555 /nfs/dbraw/zinc/05/55/55/538055555.db2.gz JZNVWXMRIVWEDH-HSOILSAZSA-N 1 0 246.376 0.928 10 0 BCAERO Cc1c(Cl)cnn1[C@H](C)[C@H]([NH3+])C(N)=O ZINC000725256087 538055683 /nfs/dbraw/zinc/05/56/83/538055683.db2.gz SFNGDIPEDSSAME-VDTYLAMSSA-N 1 0 216.672 0.219 10 0 BCAERO CCC1(CC)[C@@H]([NH3+])CS(=O)(=O)N1C ZINC000725256413 538056254 /nfs/dbraw/zinc/05/62/54/538056254.db2.gz KVJISVLIOUARKC-ZETCQYMHSA-N 1 0 206.311 0.148 10 0 BCAERO [NH3+]Cc1cc2c(cc1F)C[NH2+][C@@H](C(=O)[O-])C2 ZINC000725255768 538053744 /nfs/dbraw/zinc/05/37/44/538053744.db2.gz MERQCGMZHLBDEZ-SNVBAGLBSA-N 1 0 224.235 0.383 10 0 BCAERO C[NH2+]Cc1nc(-c2ccnn2C)cc(=O)[nH]1 ZINC000725257104 538062233 /nfs/dbraw/zinc/06/22/33/538062233.db2.gz IFEBJZFDMMWLJH-UHFFFAOYSA-N 1 0 219.248 0.302 10 0 BCAERO O=C1NCC[C@H]1[NH2+]CC1CCSCC1 ZINC000307197545 490343100 /nfs/dbraw/zinc/34/31/00/490343100.db2.gz WCELQSGRQSQMIQ-SECBINFHSA-N 1 0 214.334 0.608 10 0 BCAERO C[C@]([NH3+])(Cc1ccc(C2=[NH+]CCN2)cc1)C(=O)[O-] ZINC000036427852 350173550 /nfs/dbraw/zinc/17/35/50/350173550.db2.gz GZSOQVICLZMYFV-ZDUSSCGKSA-N 1 0 247.298 0.381 10 0 BCAERO Cc1nc2sc(C[NH3+])cc2c(=O)n1C ZINC000019773140 180117372 /nfs/dbraw/zinc/11/73/72/180117372.db2.gz OSVIMWOMDRYLBJ-UHFFFAOYSA-N 1 0 209.274 0.762 10 0 BCAERO Cc1nc2sccn2c1CNCC[NH3+] ZINC000037712881 180117768 /nfs/dbraw/zinc/11/77/68/180117768.db2.gz DBDHWKKMLCRDFL-UHFFFAOYSA-N 1 0 210.306 0.753 10 0 BCAERO CC(C)C[C@@H]1COCCN1C(=O)[C@H]1CC[NH2+]C1 ZINC000236644670 191059303 /nfs/dbraw/zinc/05/93/03/191059303.db2.gz UBGKUQWVMCFDDU-NWDGAFQWSA-N 1 0 240.347 0.869 10 0 BCAERO CCOC(=O)[C@H]1CC2(CC[C@H]1[NH3+])OCCO2 ZINC000034318009 350169084 /nfs/dbraw/zinc/16/90/84/350169084.db2.gz QJZHUCODCXWUKO-DTWKUNHWSA-N 1 0 229.276 0.420 10 0 BCAERO Cc1ncc(C[n+]2ccccc2)c(CO)c1O ZINC000000159258 180162455 /nfs/dbraw/zinc/16/24/55/180162455.db2.gz CQHWEIZPDAYXJS-UHFFFAOYSA-O 1 0 231.275 0.924 10 0 BCAERO Cc1ncc(N)cc1C(=O)NCC[NH+](C)C ZINC000038094798 180164084 /nfs/dbraw/zinc/16/40/84/180164084.db2.gz WKCQXPWREBNMHR-UHFFFAOYSA-N 1 0 222.292 0.264 10 0 BCAERO CO[C@@H]1CCCN(C(=O)[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000151886157 191067436 /nfs/dbraw/zinc/06/74/36/191067436.db2.gz PKCGOSUQUXEELR-OUAUKWLOSA-N 1 0 226.320 0.751 10 0 BCAERO Cn1nccc1-c1c(C[NH3+])nnn1CCF ZINC000725257804 538068402 /nfs/dbraw/zinc/06/84/02/538068402.db2.gz XLWNVVMSDFAOIO-UHFFFAOYSA-N 1 0 224.243 0.107 10 0 BCAERO Cc1ncc(CN2C[C@@H]([NH3+])CC2=O)s1 ZINC000049534625 180146565 /nfs/dbraw/zinc/14/65/65/180146565.db2.gz FENFDFKOXGHQAN-ZETCQYMHSA-N 1 0 211.290 0.511 10 0 BCAERO Cn1ccs/c1=N\C(=O)C(C)(C)C[NH3+] ZINC000237918672 191072219 /nfs/dbraw/zinc/07/22/19/191072219.db2.gz QIYYDASJJXWDON-FLIBITNWSA-N 1 0 213.306 0.499 10 0 BCAERO Cn1ccs/c1=N\C(=O)[C@H]1CC[NH2+]C1 ZINC000237920671 191072440 /nfs/dbraw/zinc/07/24/40/191072440.db2.gz QHBQPCGQFDBWBV-NLMLTAHDSA-N 1 0 211.290 0.123 10 0 BCAERO Cc1nccc(C[NH2+]CCCn2ccnn2)n1 ZINC000126616587 180190252 /nfs/dbraw/zinc/19/02/52/180190252.db2.gz BEYDHPXTPTVIJB-UHFFFAOYSA-N 1 0 232.291 0.556 10 0 BCAERO Cc1nccc(C[NH2+]CCC(=O)N(C)C)n1 ZINC000038037871 180190261 /nfs/dbraw/zinc/19/02/61/180190261.db2.gz HQKIFVABHNKARE-UHFFFAOYSA-N 1 0 222.292 0.353 10 0 BCAERO Cc1nccc(C[NH2+][C@H]2CCC(=O)N[C@@H]2C)n1 ZINC000339393215 180192204 /nfs/dbraw/zinc/19/22/04/180192204.db2.gz NQQDBMZJZWCCOL-KCJUWKMLSA-N 1 0 234.303 0.542 10 0 BCAERO CCSCCNC(=O)CN1CCC([NH3+])CC1 ZINC000309221580 350203046 /nfs/dbraw/zinc/20/30/46/350203046.db2.gz QQHILEHFAXDWPN-UHFFFAOYSA-N 1 0 245.392 0.279 10 0 BCAERO Cc1nccc(CN2CC[C@H](C[NH3+])C2)n1 ZINC000044995078 180185913 /nfs/dbraw/zinc/18/59/13/180185913.db2.gz CGOPTFHIPPGTKL-SNVBAGLBSA-N 1 0 206.293 0.566 10 0 BCAERO Cc1nccc(CNC(=O)[C@H]2C[NH2+]C[C@H]2C)n1 ZINC000104213212 180187737 /nfs/dbraw/zinc/18/77/37/180187737.db2.gz KLIUCRZCHJNZQA-KCJUWKMLSA-N 1 0 234.303 0.257 10 0 BCAERO Cc1ncccc1C[N@@H+]1C[C@H](O)C[C@@H]1CO ZINC000359971665 180220659 /nfs/dbraw/zinc/22/06/59/180220659.db2.gz CQDSWNGCPKFVNL-VXGBXAGGSA-N 1 0 222.288 0.318 10 0 BCAERO [NH3+]C[C@@H]1CCCCN1C(=O)C[C@H]1CCCO1 ZINC000083524428 350233579 /nfs/dbraw/zinc/23/35/79/350233579.db2.gz LQVMNHOYSDWBQJ-WDEREUQCSA-N 1 0 226.320 0.895 10 0 BCAERO CC(C)(C)NC(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725258447 538075218 /nfs/dbraw/zinc/07/52/18/538075218.db2.gz PPOZSQKHERBBDU-UHFFFAOYSA-N 1 0 237.307 0.947 10 0 BCAERO O=C(Nc1ccnn1C1C[NH2+]C1)NC1CCC1 ZINC000725258660 538076412 /nfs/dbraw/zinc/07/64/12/538076412.db2.gz WHEMJECWGUSKLI-UHFFFAOYSA-N 1 0 235.291 0.701 10 0 BCAERO Cc1nccn1CCN1CCC[C@H]([NH3+])C1 ZINC000049331266 180250241 /nfs/dbraw/zinc/25/02/41/180250241.db2.gz CGEYIZMIRKDZGN-NSHDSACASA-N 1 0 208.309 0.615 10 0 BCAERO CCc1nsc(N2CC[NH2+]C[C@@H]2C)n1 ZINC000083670417 350283979 /nfs/dbraw/zinc/28/39/79/350283979.db2.gz NATDBTGPOOJUGT-ZETCQYMHSA-N 1 0 212.322 0.899 10 0 BCAERO Cc1nccn1CC[NH2+]CCc1nncn1C ZINC000104054933 180260745 /nfs/dbraw/zinc/26/07/45/180260745.db2.gz KAYKYEJVZIVEJO-UHFFFAOYSA-N 1 0 234.307 0.152 10 0 BCAERO Cc1nccn1Cc1nc(C(C)(C)[NH3+])no1 ZINC000043402380 180269256 /nfs/dbraw/zinc/26/92/56/180269256.db2.gz RVKKGVHLUIXUDU-UHFFFAOYSA-N 1 0 221.264 0.817 10 0 BCAERO Cc1nccn1[C@@H](C[NH3+])c1cnn(C)c1 ZINC000043232526 180271420 /nfs/dbraw/zinc/27/14/20/180271420.db2.gz RTVUOFZAWVFFAU-JTQLQIEISA-N 1 0 205.265 0.473 10 0 BCAERO COC(=O)C(C)(C)NC(=O)[C@@H]1CCC[NH2+][C@H]1C ZINC000384430141 350323530 /nfs/dbraw/zinc/32/35/30/350323530.db2.gz VOSKJPAYPLMSPL-DTWKUNHWSA-N 1 0 242.319 0.442 10 0 BCAERO Cc1nccnc1[S@](=O)C[C@H]1CC[NH2+]C1 ZINC000095068802 180284471 /nfs/dbraw/zinc/28/44/71/180284471.db2.gz PHSHGSXJIHEOIW-VFZGTOFNSA-N 1 0 225.317 0.502 10 0 BCAERO C[C@H]([NH2+][C@@H]1CCCCC[C@@H]1O)C(N)=O ZINC000037891200 350289581 /nfs/dbraw/zinc/28/95/81/350289581.db2.gz PVIPRRREBMNULX-YIZRAAEISA-N 1 0 200.282 0.143 10 0 BCAERO CC(C)(C)[C@@H](O)C[NH2+]C[C@H](O)COCC1CC1 ZINC000324237561 350293410 /nfs/dbraw/zinc/29/34/10/350293410.db2.gz AGXSLUXIVBNNBH-RYUDHWBXSA-N 1 0 245.363 0.771 10 0 BCAERO Cc1ncoc1C(=O)N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000095574592 180298968 /nfs/dbraw/zinc/29/89/68/180298968.db2.gz ILRKKMGSYJDPCB-RKDXNWHRSA-N 1 0 221.260 0.274 10 0 BCAERO CSCC[C@H]([NH3+])C(=O)N[C@H]1CCC[C@H](O)C1 ZINC000040462091 350364581 /nfs/dbraw/zinc/36/45/81/350364581.db2.gz BFTDBYOAVMVIMK-GUBZILKMSA-N 1 0 246.376 0.487 10 0 BCAERO C[C@H]1COC[C@H](C)N1C(=O)CCCC[NH3+] ZINC000309386483 350366350 /nfs/dbraw/zinc/36/63/50/350366350.db2.gz FDDXBHGDNLPYMX-UWVGGRQHSA-N 1 0 214.309 0.751 10 0 BCAERO Cc1nn(-c2cnccn2)c(C)c1C[NH3+] ZINC000082639325 180331224 /nfs/dbraw/zinc/33/12/24/180331224.db2.gz HEZGPFRWSXQUDJ-UHFFFAOYSA-N 1 0 203.249 0.738 10 0 BCAERO CO[C@H]1CC[NH2+]CC[C@@H]1CC(=O)N(C)C ZINC000616591734 350407262 /nfs/dbraw/zinc/40/72/62/350407262.db2.gz QNHKTAMZZBUNCJ-ZJUUUORDSA-N 1 0 214.309 0.479 10 0 BCAERO Cc1ncsc1C[NH2+]C[C@H]1CN(C)CCO1 ZINC000085444916 180322138 /nfs/dbraw/zinc/32/21/38/180322138.db2.gz QIGQDOPTXKWXAN-JTQLQIEISA-N 1 0 241.360 0.872 10 0 BCAERO Cc1nn(C)c(C)c1NC(=O)CCC[NH3+] ZINC000040856959 180342268 /nfs/dbraw/zinc/34/22/68/180342268.db2.gz DGMPMRATAIQLAO-UHFFFAOYSA-N 1 0 210.281 0.714 10 0 BCAERO Cc1nn(C)c(C)c1[C@@H]([NH2+]CC1CC1)C(N)=O ZINC000037947211 180346464 /nfs/dbraw/zinc/34/64/64/180346464.db2.gz YYWUTJBVKJYMHJ-LLVKDONJSA-N 1 0 236.319 0.563 10 0 BCAERO Cc1nn(C)c(N2CCC[N@H+](C)CC2)c1CO ZINC000020468238 180355263 /nfs/dbraw/zinc/35/52/63/180355263.db2.gz DDVZPAMRHQWISW-UHFFFAOYSA-N 1 0 238.335 0.363 10 0 BCAERO Cc1nn(C)c(N2CCn3ccnc3C2)c1C[NH3+] ZINC000062254892 180356633 /nfs/dbraw/zinc/35/66/33/180356633.db2.gz FPENJXLYGLEECU-UHFFFAOYSA-N 1 0 246.318 0.404 10 0 BCAERO Cc1nn(C)c(N2CCOC[C@@H]2C)c1C[NH3+] ZINC000035777864 180356858 /nfs/dbraw/zinc/35/68/58/180356858.db2.gz DMNKSZXWPUHGDK-QMMMGPOBSA-N 1 0 224.308 0.412 10 0 BCAERO Cc1nn(C)c(NC[C@H]2CC[N@H+](C)C2)c1N ZINC000037484580 180359126 /nfs/dbraw/zinc/35/91/26/180359126.db2.gz QVJVEXFKASSCJS-SECBINFHSA-N 1 0 223.324 0.674 10 0 BCAERO Cc1nn(C)c(OCC2CCOCC2)c1C[NH3+] ZINC000104306335 180359480 /nfs/dbraw/zinc/35/94/80/180359480.db2.gz FXCZAUNEIIYBJW-UHFFFAOYSA-N 1 0 239.319 0.993 10 0 BCAERO COCCNC(=O)N1CC[C@]2([NH3+])CCCC[C@H]12 ZINC000725264498 538092238 /nfs/dbraw/zinc/09/22/38/538092238.db2.gz RQZSXWGWRRAZRW-CMPLNLGQSA-N 1 0 241.335 0.688 10 0 BCAERO Cc1nn(C)cc1C(=O)N[C@@H]1CCCC[C@@H]1[NH3+] ZINC000185434388 180369891 /nfs/dbraw/zinc/36/98/91/180369891.db2.gz WUYUMNGMIDERSM-WDEREUQCSA-N 1 0 236.319 0.728 10 0 BCAERO Cc1nn(CC(=O)NC2CC2)c(C)c1C[NH3+] ZINC000036868347 180384640 /nfs/dbraw/zinc/38/46/40/180384640.db2.gz LERVPNLJRSOMRS-UHFFFAOYSA-N 1 0 222.292 0.237 10 0 BCAERO Cc1nn(C[C@H](O)C[NH3+])c(C)c1Br ZINC000050593131 180391255 /nfs/dbraw/zinc/39/12/55/180391255.db2.gz WCUSHIURUOAFOL-SSDOTTSWSA-N 1 0 248.124 0.582 10 0 BCAERO CC[C@@H](COC)NC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000163223257 350509912 /nfs/dbraw/zinc/50/99/12/350509912.db2.gz UGUSUJUFLNANGB-QWRGUYRKSA-N 1 0 243.351 0.757 10 0 BCAERO Cn1cncc1-c1cnnn1C1CC[NH2+]CC1 ZINC000725266066 538094027 /nfs/dbraw/zinc/09/40/27/538094027.db2.gz IXLLLHAJBQAVLH-UHFFFAOYSA-N 1 0 232.291 0.603 10 0 BCAERO CCCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](CCO)C1 ZINC000227569031 350501592 /nfs/dbraw/zinc/50/15/92/350501592.db2.gz ZFHPTXDPOGIQGS-QWRGUYRKSA-N 1 0 228.336 0.605 10 0 BCAERO C[C@@H]1C[NH2+]CCCN(CC[S@@](C)=O)C1 ZINC000229272906 350571058 /nfs/dbraw/zinc/57/10/58/350571058.db2.gz CJQUGCOSVXCBLG-QMTHXVAHSA-N 1 0 218.366 0.296 10 0 BCAERO C[C@H]([NH3+])CCNc1ncnc2nc[nH]c21 ZINC000063171630 350574564 /nfs/dbraw/zinc/57/45/64/350574564.db2.gz IEKUNTAOUUTGCC-LURJTMIESA-N 1 0 206.253 0.502 10 0 BCAERO Cc1nnc(C[NH2+]C[C@@H]2CCCO2)n1C ZINC000035696036 180412882 /nfs/dbraw/zinc/41/28/82/180412882.db2.gz VEGJZOMFXFDWHN-VIFPVBQESA-N 1 0 210.281 0.392 10 0 BCAERO O=C1c2ccccc2C(=O)N1C[C@@H]1CC[NH2+]C1 ZINC000051890326 350558418 /nfs/dbraw/zinc/55/84/18/350558418.db2.gz CBDPRTCQNVLONW-SECBINFHSA-N 1 0 230.267 0.892 10 0 BCAERO CC(C)[C@H](C(=O)N[C@@H]1CCCOC1)[C@H](C)[NH3+] ZINC000399502921 323395402 /nfs/dbraw/zinc/39/54/02/323395402.db2.gz JFWPIHLISSYIGX-AXFHLTTASA-N 1 0 228.336 0.901 10 0 BCAERO OCC[N@@H+]1CCO[C@@H](c2ccncc2)CC1 ZINC000616593603 350582119 /nfs/dbraw/zinc/58/21/19/350582119.db2.gz AAMAJFJOUVFUHD-GFCCVEGCSA-N 1 0 222.288 0.837 10 0 BCAERO [NH3+]CCN1CCO[C@@H](c2cn[nH]c2)CC1 ZINC000616594599 350594749 /nfs/dbraw/zinc/59/47/49/350594749.db2.gz GHLAXZOFBDGKGX-SNVBAGLBSA-N 1 0 210.281 0.132 10 0 BCAERO Cc1noc(C)c1C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000050245713 180462951 /nfs/dbraw/zinc/46/29/51/180462951.db2.gz WYUOQYFBADINKL-VIFPVBQESA-N 1 0 223.276 0.712 10 0 BCAERO CC(C)(C)[N@@H+]1CCCOC[C@H]1C(N)=O ZINC000616596608 350633639 /nfs/dbraw/zinc/63/36/39/350633639.db2.gz DHRMNALIUULAAL-QMMMGPOBSA-N 1 0 200.282 0.361 10 0 BCAERO [NH3+]CCN1CCO[C@@H](c2ccnnc2)CC1 ZINC000616596527 350634931 /nfs/dbraw/zinc/63/49/31/350634931.db2.gz YYNHWSKBIKXYAE-LLVKDONJSA-N 1 0 222.292 0.199 10 0 BCAERO C[NH2+]CCNc1cnn(C)c(=O)c1Cl ZINC000167903032 350653000 /nfs/dbraw/zinc/65/30/00/350653000.db2.gz YDMTVXDUTPILAF-UHFFFAOYSA-N 1 0 216.672 0.065 10 0 BCAERO [NH3+]CCN1CCOCC[C@H]1c1ccncc1 ZINC000616598117 350655019 /nfs/dbraw/zinc/65/50/19/350655019.db2.gz OQSUREBCZBUSAR-LBPRGKRZSA-N 1 0 221.304 0.804 10 0 BCAERO Cc1noc(CNc2cc[nH+]cc2N)n1 ZINC000044987869 180489676 /nfs/dbraw/zinc/48/96/76/180489676.db2.gz VWNPEPLGHGYSNP-UHFFFAOYSA-N 1 0 205.221 0.967 10 0 BCAERO COC(=O)c1cc([C@](C)([NH3+])CO)ccc1F ZINC000309532938 350708329 /nfs/dbraw/zinc/70/83/29/350708329.db2.gz DLCNLHFCARCZET-LLVKDONJSA-N 1 0 227.235 0.779 10 0 BCAERO C[C@H]1C[S@@](=O)CCN1CC[NH+](C)C ZINC000306673345 350818396 /nfs/dbraw/zinc/81/83/96/350818396.db2.gz NHHDSFMMPGJAMR-ZANVPECISA-N 1 0 204.339 0.001 10 0 BCAERO OCC[N@@H+]1CCC[C@@H](c2ncc[nH]2)CC1 ZINC000616601444 350782213 /nfs/dbraw/zinc/78/22/13/350782213.db2.gz PHJDGJMESOZYLK-SNVBAGLBSA-N 1 0 209.293 0.972 10 0 BCAERO NC(=O)N1CC[NH2+]C[C@H]1c1ccccc1CCO ZINC000616603176 350788827 /nfs/dbraw/zinc/78/88/27/350788827.db2.gz GAINRMZMQPVEKA-LBPRGKRZSA-N 1 0 249.314 0.246 10 0 BCAERO OCC[N@@H+]1CCCC[C@H](n2cccn2)C1 ZINC000616603791 350790256 /nfs/dbraw/zinc/79/02/56/350790256.db2.gz IGPJZIDYYSJSIB-NSHDSACASA-N 1 0 209.293 0.902 10 0 BCAERO OCC[N@@H+]1CCC[C@@H](c2cc[nH]n2)CC1 ZINC000616602539 350791566 /nfs/dbraw/zinc/79/15/66/350791566.db2.gz ZFZZXDVZDRTVGW-SNVBAGLBSA-N 1 0 209.293 0.972 10 0 BCAERO [NH3+]CCN1CCCC[C@H](c2nnc[nH]2)C1 ZINC000616604851 350793192 /nfs/dbraw/zinc/79/31/92/350793192.db2.gz QYAQXPYKTCTVER-VIFPVBQESA-N 1 0 209.297 0.333 10 0 BCAERO OCC[N@@H+]1CCCC[C@H](c2c[nH]cn2)C1 ZINC000616604882 350793344 /nfs/dbraw/zinc/79/33/44/350793344.db2.gz SHBOVATWRBCGNT-JTQLQIEISA-N 1 0 209.293 0.972 10 0 BCAERO OCC[N@@H+]1CC[C@@H](Nc2ccccn2)C1 ZINC000616614333 350831880 /nfs/dbraw/zinc/83/18/80/350831880.db2.gz IMQWXIZXHBHWLZ-SNVBAGLBSA-N 1 0 207.277 0.560 10 0 BCAERO CC(C)(C)[N@@H+]1CC[C@@H](S(N)(=O)=O)C1 ZINC000616614346 350832075 /nfs/dbraw/zinc/83/20/75/350832075.db2.gz KADPIJZKGVSUQE-SSDOTTSWSA-N 1 0 206.311 0.148 10 0 BCAERO C[C@H]1[C@@H](O)CCCN1Cc1cnns1 ZINC000306689912 350844224 /nfs/dbraw/zinc/84/42/24/350844224.db2.gz ACYZBIFHIMWALZ-CBAPKCEASA-N 1 0 213.306 0.883 10 0 BCAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]C1CSC1 ZINC000306693122 350846292 /nfs/dbraw/zinc/84/62/92/350846292.db2.gz QUKVPJOMBHGIGB-POYBYMJQSA-N 1 0 200.307 0.359 10 0 BCAERO CNC(=S)N[C@H]1CCC[C@H]1[NH+](C)C ZINC000306696274 350847395 /nfs/dbraw/zinc/84/73/95/350847395.db2.gz WIHVQQTWZXZQPM-JGVFFNPUSA-N 1 0 201.339 0.563 10 0 BCAERO CSC(C)(C)[C@H]([NH3+])c1cnn(C)n1 ZINC000306699493 350848886 /nfs/dbraw/zinc/84/88/86/350848886.db2.gz DMIRUPWJSKPTCR-SSDOTTSWSA-N 1 0 200.311 0.957 10 0 BCAERO COc1nc(N2CC[C@@H](C[NH3+])C2)cs1 ZINC000306701674 350851078 /nfs/dbraw/zinc/85/10/78/350851078.db2.gz GYVZOBIKDHBLMN-ZETCQYMHSA-N 1 0 213.306 0.937 10 0 BCAERO OCC[N@@H+]1CCCC[C@H]1c1cncnc1 ZINC000616616691 350857659 /nfs/dbraw/zinc/85/76/59/350857659.db2.gz TZLVODYGVBMREH-NSHDSACASA-N 1 0 207.277 0.996 10 0 BCAERO CO[C@H]1CCC[C@H]([N@H+](C)CCN(C)CCO)C1 ZINC000623090197 350858622 /nfs/dbraw/zinc/85/86/22/350858622.db2.gz CHHLQSHENWJQNK-STQMWFEESA-N 1 0 244.379 0.800 10 0 BCAERO COCCN(CC(N)=[NH2+])C(=O)OC(C)(C)C ZINC000306731192 350899564 /nfs/dbraw/zinc/89/95/64/350899564.db2.gz QNZKMZYXJLHRNH-UHFFFAOYSA-N 1 0 231.296 0.806 10 0 BCAERO C[C@@H](C(N)=S)[N@@H+]1CC[C@@H](O)C1(C)C ZINC000306733638 350903305 /nfs/dbraw/zinc/90/33/05/350903305.db2.gz TWSSBJWNUYEULL-NKWVEPMBSA-N 1 0 202.323 0.506 10 0 BCAERO C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[C@H](C)O2)C1 ZINC000251949023 350907216 /nfs/dbraw/zinc/90/72/16/350907216.db2.gz WQHOKZZXWRWFAZ-AXFHLTTASA-N 1 0 226.320 0.764 10 0 BCAERO C[C@@H]1CCC[N@H+](C[C@](C)(N)CO)[C@H]1C ZINC000252152884 350909104 /nfs/dbraw/zinc/90/91/04/350909104.db2.gz MTSNFOYHAUDIAK-VWYCJHECSA-N 1 0 200.326 0.817 10 0 BCAERO C[C@@H]1CCC[N@H+](C[C@@](C)(N)CO)[C@H]1C ZINC000252152883 350909362 /nfs/dbraw/zinc/90/93/62/350909362.db2.gz MTSNFOYHAUDIAK-OUAUKWLOSA-N 1 0 200.326 0.817 10 0 BCAERO COC(=O)C(C)(C)NC(=O)C[C@@H]([NH3+])C(C)C ZINC000128944714 350910498 /nfs/dbraw/zinc/91/04/98/350910498.db2.gz IUWVMCFPDUQHPU-MRVPVSSYSA-N 1 0 230.308 0.428 10 0 BCAERO C[C@H](CO)S[C@@H]1CC2(CC[C@H]1[NH3+])OCCO2 ZINC000252749606 350914877 /nfs/dbraw/zinc/91/48/77/350914877.db2.gz FEXNZPPUMZDZNS-OPRDCNLKSA-N 1 0 247.360 0.723 10 0 BCAERO C[NH2+][C@@H](C)C(=O)N[C@@]1(C)CCO[C@H]1C ZINC000306741453 350930806 /nfs/dbraw/zinc/93/08/06/350930806.db2.gz DOQRVFYEFWNJJE-NRPADANISA-N 1 0 200.282 0.278 10 0 BCAERO COc1nc([C@@H](O)[C@H]2CCC[NH2+]2)cs1 ZINC000306712098 350872785 /nfs/dbraw/zinc/87/27/85/350872785.db2.gz TUDYHQAIFQNAPO-SVRRBLITSA-N 1 0 214.290 0.937 10 0 BCAERO C[C@H]([NH3+])CNC(=O)[C@H]1CCCC1(F)F ZINC000306713961 350874082 /nfs/dbraw/zinc/87/40/82/350874082.db2.gz WAUCTHCUPBZMAR-NKWVEPMBSA-N 1 0 206.236 0.885 10 0 BCAERO C[C@H](C[NH3+])C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000052008236 350883175 /nfs/dbraw/zinc/88/31/75/350883175.db2.gz HGUMZOKNJWAYPR-HLTSFMKQSA-N 1 0 200.282 0.001 10 0 BCAERO C[C@@H]1C[C@@H](C)C[NH+](CC[C@@H](N)C(N)=O)C1 ZINC000218546576 538099749 /nfs/dbraw/zinc/09/97/49/538099749.db2.gz NBPFSJLQCZKQHD-OPRDCNLKSA-N 1 0 213.325 0.167 10 0 BCAERO C[NH2+][C@H]1CCN(C2CCC3(CC2)OCCO3)C1 ZINC000128907287 350888723 /nfs/dbraw/zinc/88/87/23/350888723.db2.gz VTZUEARBGKKXFP-NSHDSACASA-N 1 0 240.347 0.966 10 0 BCAERO C[NH2+][C@@H]1CCN(C2CCC3(CC2)OCCO3)C1 ZINC000128907047 350888782 /nfs/dbraw/zinc/88/87/82/350888782.db2.gz VTZUEARBGKKXFP-LLVKDONJSA-N 1 0 240.347 0.966 10 0 BCAERO CC(C)CNC(=[NH2+])N1CCS(=O)CC1 ZINC000052039356 350891035 /nfs/dbraw/zinc/89/10/35/350891035.db2.gz XNOIDLOPZAWORV-UHFFFAOYSA-N 1 0 217.338 0.231 10 0 BCAERO O=C(C(F)F)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000306724165 350892998 /nfs/dbraw/zinc/89/29/98/350892998.db2.gz IGGWWLNRDZTRBF-BQBZGAKWSA-N 1 0 204.220 0.462 10 0 BCAERO CSCCNC(=O)C[C@H]([NH3+])C(C)C ZINC000129071852 350977995 /nfs/dbraw/zinc/97/79/95/350977995.db2.gz UXUVBCFWWQAOAS-QMMMGPOBSA-N 1 0 204.339 0.839 10 0 BCAERO OC[C@@]12C[NH2+]C[C@H]1CN(Cc1ccccc1)C2 ZINC000306761909 350987771 /nfs/dbraw/zinc/98/77/71/350987771.db2.gz GHZDSTSBLWNSOD-KBPBESRZSA-N 1 0 232.327 0.700 10 0 BCAERO O=C(N[C@@H]1CCCSC1)[C@H]1CCC[NH2+]1 ZINC000129157498 351000658 /nfs/dbraw/zinc/00/06/58/351000658.db2.gz ACMFSUNLCSXARZ-RKDXNWHRSA-N 1 0 214.334 0.750 10 0 BCAERO Cn1ccnc1[C@@H](C[NH3+])NC(=O)OC(C)(C)C ZINC000306770547 351003724 /nfs/dbraw/zinc/00/37/24/351003724.db2.gz BTKYYJUOUJHCTK-MRVPVSSYSA-N 1 0 240.307 0.945 10 0 BCAERO NC(=O)c1ccccc1[C@H]1CCCN(CC[NH3+])C1 ZINC000616620915 350946155 /nfs/dbraw/zinc/94/61/55/350946155.db2.gz OFHUVGRWLIWXSL-NSHDSACASA-N 1 0 247.342 0.924 10 0 BCAERO NC(=O)[C@@H]1CCC[N@@H+]1[C@H]1CCSC1 ZINC000306782636 351027220 /nfs/dbraw/zinc/02/72/20/351027220.db2.gz KPWKMGYSGWBAJS-YUMQZZPRSA-N 1 0 200.307 0.442 10 0 BCAERO CCCS(=O)(=O)N1CCC[C@H]([NH3+])CC1 ZINC000306783570 351028852 /nfs/dbraw/zinc/02/88/52/351028852.db2.gz LDTYPPJGISCJKY-VIFPVBQESA-N 1 0 220.338 0.539 10 0 BCAERO O[C@@H]1CCC[C@H]1SC1=[NH+]CCCN1 ZINC000306787474 351037878 /nfs/dbraw/zinc/03/78/78/351037878.db2.gz QPMGEKLOWFMHOA-HTQZYQBOSA-N 1 0 200.307 0.982 10 0 BCAERO O[C@H]1CCC[C@H]1SC1=[NH+]CCCN1 ZINC000306787475 351037965 /nfs/dbraw/zinc/03/79/65/351037965.db2.gz QPMGEKLOWFMHOA-JGVFFNPUSA-N 1 0 200.307 0.982 10 0 BCAERO C[C@@H](C[NH3+])N(C)CN1C(=O)c2ccccc2C1=O ZINC000306788006 351038326 /nfs/dbraw/zinc/03/83/26/351038326.db2.gz RIVPPRKZTMZRGG-VIFPVBQESA-N 1 0 247.298 0.519 10 0 BCAERO CC(C)(C)OC(=O)N[C@@H]1CO[C@@H]2[C@H]([NH3+])CO[C@@H]12 ZINC000257354439 351045360 /nfs/dbraw/zinc/04/53/60/351045360.db2.gz XSXSNSZFCYKBPW-BGZDPUMWSA-N 1 0 244.291 0.005 10 0 BCAERO COc1ccc([C@@]2(CCO)CC[NH2+]C2)cn1 ZINC000167955875 351050189 /nfs/dbraw/zinc/05/01/89/351050189.db2.gz RXPMMGWCBOBBAY-GFCCVEGCSA-N 1 0 222.288 0.704 10 0 BCAERO C[C@H]1C[NH2+]CC[C@H]1C(=O)Cc1csnn1 ZINC000306808570 351060931 /nfs/dbraw/zinc/06/09/31/351060931.db2.gz PLUBAWXPGWYYMK-IONNQARKSA-N 1 0 225.317 0.895 10 0 BCAERO CCOC(=O)[C@H]1CCCN(CC[NH3+])CC1 ZINC000616629696 351100688 /nfs/dbraw/zinc/10/06/88/351100688.db2.gz TXSNZLFSQPRSHO-JTQLQIEISA-N 1 0 214.309 0.610 10 0 BCAERO [NH3+]CCN1CCC[C@H](c2conn2)CC1 ZINC000616629800 351100789 /nfs/dbraw/zinc/10/07/89/351100789.db2.gz UZZHERNUDKXIOL-VIFPVBQESA-N 1 0 210.281 0.598 10 0 BCAERO c1ccc2c(c1)nncc2[C@H]1C[NH2+]CCN1 ZINC000616631125 351104727 /nfs/dbraw/zinc/10/47/27/351104727.db2.gz RUGBCLAOSWGLBQ-GFCCVEGCSA-N 1 0 214.272 0.864 10 0 BCAERO COC(=O)N1CC[NH2+]C[C@H]1c1ccccc1N ZINC000616635697 351108859 /nfs/dbraw/zinc/10/88/59/351108859.db2.gz KMAOIVDQPIXTPL-NSHDSACASA-N 1 0 235.287 0.982 10 0 BCAERO CN1CC[NH2+][C@H](c2cccc(C(N)=O)c2)C1 ZINC000616631897 351109814 /nfs/dbraw/zinc/10/98/14/351109814.db2.gz AEJAGNMOALOWHV-NSHDSACASA-N 1 0 219.288 0.362 10 0 BCAERO CC(C)[N@@H+]1CCN[C@H](c2ccnnc2)C1 ZINC000616632841 351113692 /nfs/dbraw/zinc/11/36/92/351113692.db2.gz QVRZKYNMKWXNAZ-NSHDSACASA-N 1 0 206.293 0.831 10 0 BCAERO CC(C)N1CCN(C(=O)[C@@]2(C)CCC[NH2+]2)CC1 ZINC000079512009 351067764 /nfs/dbraw/zinc/06/77/64/351067764.db2.gz KMANFFHFQJILDA-CYBMUJFWSA-N 1 0 239.363 0.681 10 0 BCAERO C[C@H]([NH3+])Cn1cnc2ccsc2c1=O ZINC000222854217 351124133 /nfs/dbraw/zinc/12/41/33/351124133.db2.gz MFHJHXXXXBEIHR-LURJTMIESA-N 1 0 209.274 0.805 10 0 BCAERO [NH3+]CCN1CCC[C@@H](c2ncccn2)C1 ZINC000616621764 351083899 /nfs/dbraw/zinc/08/38/99/351083899.db2.gz XXJLHUHBFXOLPO-SNVBAGLBSA-N 1 0 206.293 0.615 10 0 BCAERO CC(C)[NH+]1CCC(NC(N)=S)CC1 ZINC000306817840 351086743 /nfs/dbraw/zinc/08/67/43/351086743.db2.gz BQXCCUXSLAVTHC-UHFFFAOYSA-N 1 0 201.339 0.692 10 0 BCAERO COC(=O)[C@H]1CCCCCN1CC[NH3+] ZINC000616623833 351090156 /nfs/dbraw/zinc/09/01/56/351090156.db2.gz JGQUCEQYDKRWIJ-SECBINFHSA-N 1 0 200.282 0.363 10 0 BCAERO [NH3+]CCN1CCCCC[C@@H]1c1nc[nH]n1 ZINC000616625128 351092841 /nfs/dbraw/zinc/09/28/41/351092841.db2.gz WAZXSHOGNMRTBF-SECBINFHSA-N 1 0 209.297 0.681 10 0 BCAERO Nc1ccc([C@@H]2C[NH2+]CCN2CCO)cc1 ZINC000616636474 351125475 /nfs/dbraw/zinc/12/54/75/351125475.db2.gz UFPSYZIIJUUYSM-LBPRGKRZSA-N 1 0 221.304 0.207 10 0 BCAERO [NH2+]=C1NC[C@@H](c2cnn(Cc3ccccc3)c2)N1 ZINC000306836761 351148109 /nfs/dbraw/zinc/14/81/09/351148109.db2.gz VAOBQIQTNDANIR-LBPRGKRZSA-N 1 0 241.298 0.890 10 0 BCAERO NC(=O)c1cccc([C@@H]2C[NH2+]CCO2)c1 ZINC000616642566 351152755 /nfs/dbraw/zinc/15/27/55/351152755.db2.gz ALUDLWVKQOEPBM-JTQLQIEISA-N 1 0 206.245 0.446 10 0 BCAERO C[C@@H]1CCCCC[N@@H+]1C[C@@](C)(N)CO ZINC000222896211 351154554 /nfs/dbraw/zinc/15/45/54/351154554.db2.gz ZWZYJQPESMTXBH-GHMZBOCLSA-N 1 0 200.326 0.961 10 0 BCAERO C[C@H]1CCCCC[N@@H+]1C[C@@](C)(N)CO ZINC000222896270 351154574 /nfs/dbraw/zinc/15/45/74/351154574.db2.gz ZWZYJQPESMTXBH-WDEREUQCSA-N 1 0 200.326 0.961 10 0 BCAERO [NH3+]CCN1CCCOC[C@@H]1c1ncco1 ZINC000616647290 351164843 /nfs/dbraw/zinc/16/48/43/351164843.db2.gz XEBWJSGWOSEZHO-SECBINFHSA-N 1 0 211.265 0.397 10 0 BCAERO Nc1cccc([C@H]2COCCC[N@@H+]2CCO)n1 ZINC000616645226 351167389 /nfs/dbraw/zinc/16/73/89/351167389.db2.gz IPFSQOQGNMWJOS-LLVKDONJSA-N 1 0 237.303 0.420 10 0 BCAERO [NH3+]CCN1CCCOC[C@H]1c1cccnn1 ZINC000616646199 351170235 /nfs/dbraw/zinc/17/02/35/351170235.db2.gz UORVJRVYLBTFBB-NSHDSACASA-N 1 0 222.292 0.199 10 0 BCAERO Nc1ccc([C@@H]2COCCCN2CC[NH3+])cc1 ZINC000616646118 351170451 /nfs/dbraw/zinc/17/04/51/351170451.db2.gz TUWNDDCYLIIZDG-ZDUSSCGKSA-N 1 0 235.331 0.991 10 0 BCAERO [NH3+]CCN1CCO[C@@H](OC(F)(F)F)C1 ZINC000616646145 351170593 /nfs/dbraw/zinc/17/05/93/351170593.db2.gz HOHZVZTUYVKHMV-LURJTMIESA-N 1 0 214.187 0.140 10 0 BCAERO OCC[N@@H+]1CCCO[C@@H](n2cccn2)C1 ZINC000616651855 351188939 /nfs/dbraw/zinc/18/89/39/351188939.db2.gz ASZBLYPCBZKJSF-SNVBAGLBSA-N 1 0 211.265 0.096 10 0 BCAERO NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000616651767 351189006 /nfs/dbraw/zinc/18/90/06/351189006.db2.gz GEMGXLNCNFQKME-LBPRGKRZSA-N 1 0 234.299 0.763 10 0 BCAERO CC(C)C[S@](=O)[C@@H]1C[NH2+]CC[C@]1(C)O ZINC000306821170 351127187 /nfs/dbraw/zinc/12/71/87/351127187.db2.gz JUGBVSDDQDFQFW-BFVZDQMLSA-N 1 0 219.350 0.504 10 0 BCAERO CCN1CC[NH2+]C[C@@H]1CNC(=O)OC(C)(C)C ZINC000616637268 351131457 /nfs/dbraw/zinc/13/14/57/351131457.db2.gz IPIUJDOORZBMNT-SNVBAGLBSA-N 1 0 243.351 0.805 10 0 BCAERO COC(=O)N1CCNC[C@@H]1c1ccon1 ZINC000616637004 351131593 /nfs/dbraw/zinc/13/15/93/351131593.db2.gz NGVVJIJJSZQVEI-MRVPVSSYSA-N 1 0 211.221 0.387 10 0 BCAERO O=[S@@](C[C@H]1C[NH2+]CCO1)c1cccs1 ZINC000306824697 351131859 /nfs/dbraw/zinc/13/18/59/351131859.db2.gz UUYLHFIYWDEWGS-CLAHSXSESA-N 1 0 231.342 0.844 10 0 BCAERO O=[S@](C[C@@H]1C[NH2+]CCO1)c1cccs1 ZINC000306824698 351132337 /nfs/dbraw/zinc/13/23/37/351132337.db2.gz UUYLHFIYWDEWGS-RMLUDKJBSA-N 1 0 231.342 0.844 10 0 BCAERO CC(C)N1CC[NH2+]C[C@@H]1c1ccncn1 ZINC000616637530 351134323 /nfs/dbraw/zinc/13/43/23/351134323.db2.gz OVYJYOLHLASAOW-LLVKDONJSA-N 1 0 206.293 0.831 10 0 BCAERO CN1CC[NH2+]C[C@@H]1c1ccccc1C(N)=O ZINC000616637808 351134374 /nfs/dbraw/zinc/13/43/74/351134374.db2.gz RNMDAGWWGNXRRA-LLVKDONJSA-N 1 0 219.288 0.362 10 0 BCAERO CN1CC[NH2+]C[C@H]1c1ccccc1C(N)=O ZINC000616637874 351136332 /nfs/dbraw/zinc/13/63/32/351136332.db2.gz RNMDAGWWGNXRRA-NSHDSACASA-N 1 0 219.288 0.362 10 0 BCAERO CCN1CC[NH2+]C[C@@H]1c1ccc(C(N)=O)cc1 ZINC000616638330 351138896 /nfs/dbraw/zinc/13/88/96/351138896.db2.gz VTWACJRWTSONOK-GFCCVEGCSA-N 1 0 233.315 0.752 10 0 BCAERO CC(C)(C)N1CC[NH2+]C[C@H]1S(C)(=O)=O ZINC000616638573 351140297 /nfs/dbraw/zinc/14/02/97/351140297.db2.gz ZAEXSSMOJGXPFI-MRVPVSSYSA-N 1 0 220.338 0.061 10 0 BCAERO CNc1ccc([C@H]2C[NH2+]CCN2C(N)=O)cc1 ZINC000616639558 351143944 /nfs/dbraw/zinc/14/39/44/351143944.db2.gz RAOGFSWVCHCYBM-LLVKDONJSA-N 1 0 234.303 0.753 10 0 BCAERO NC(=O)N1CC[NH2+]C[C@H]1c1ccc(CCO)cc1 ZINC000616639631 351143987 /nfs/dbraw/zinc/14/39/87/351143987.db2.gz WPRJRKNOJGWZOG-LBPRGKRZSA-N 1 0 249.314 0.246 10 0 BCAERO OCCc1cccc([C@H]2COCC[NH2+]2)c1 ZINC000616639402 351144080 /nfs/dbraw/zinc/14/40/80/351144080.db2.gz VWRDWOLSXMSXHY-GFCCVEGCSA-N 1 0 207.273 0.882 10 0 BCAERO Nc1cccc([C@@H]2COCCN2CC[NH3+])c1 ZINC000616640099 351144574 /nfs/dbraw/zinc/14/45/74/351144574.db2.gz DGDRXKYVXJPWIH-LBPRGKRZSA-N 1 0 221.304 0.601 10 0 BCAERO CN1CCO[C@@H](c2ccc(C(N)=O)cc2)C1 ZINC000616676695 351241518 /nfs/dbraw/zinc/24/15/18/351241518.db2.gz HRBKVRUUWXVJNZ-LLVKDONJSA-N 1 0 220.272 0.789 10 0 BCAERO [NH3+]CCN1c2ccccc2NC[C@H]1c1cn[nH]n1 ZINC000616682135 351252754 /nfs/dbraw/zinc/25/27/54/351252754.db2.gz BSAWZSBJTBDJFV-LBPRGKRZSA-N 1 0 244.302 0.737 10 0 BCAERO CCOC(=O)N1CCOC[C@H](CC[NH3+])C1 ZINC000616660331 351203092 /nfs/dbraw/zinc/20/30/92/351203092.db2.gz VSGACCBGONNGPL-SECBINFHSA-N 1 0 216.281 0.440 10 0 BCAERO CCOC(=O)N1CCOCC[C@@H]1C[NH3+] ZINC000616660313 351203292 /nfs/dbraw/zinc/20/32/92/351203292.db2.gz WFGCPTYZXGKUCZ-MRVPVSSYSA-N 1 0 202.254 0.193 10 0 BCAERO C[N@@H+]1CCOC[C@H](c2cccnc2N)C1 ZINC000616660369 351203353 /nfs/dbraw/zinc/20/33/53/351203353.db2.gz WKTFYDNDZACORM-SECBINFHSA-N 1 0 207.277 0.709 10 0 BCAERO CC(C)(C)[C@H]1COCC[N@H+](CCO)C1 ZINC000616660535 351205298 /nfs/dbraw/zinc/20/52/98/351205298.db2.gz NPRFPUHRHLWJGJ-SNVBAGLBSA-N 1 0 201.310 0.973 10 0 BCAERO CCOC(=O)N1CCOCC[C@H]1C[NH3+] ZINC000616659670 351208162 /nfs/dbraw/zinc/20/81/62/351208162.db2.gz WFGCPTYZXGKUCZ-QMMMGPOBSA-N 1 0 202.254 0.193 10 0 BCAERO Clc1ccc(CN[C@@H]2CC[NH2+]C2)nn1 ZINC000095070484 180580581 /nfs/dbraw/zinc/58/05/81/180580581.db2.gz JQTOBEYGBFNBGU-SSDOTTSWSA-N 1 0 212.684 0.582 10 0 BCAERO COC(=O)[C@@H]1COCC[N@@H+](C(C)(C)C)C1 ZINC000616659915 351208935 /nfs/dbraw/zinc/20/89/35/351208935.db2.gz GMLZNINMZCTCFJ-VIFPVBQESA-N 1 0 215.293 0.906 10 0 BCAERO OCC[N@@H+]1CCOC[C@@H](c2ccccn2)C1 ZINC000616661400 351209951 /nfs/dbraw/zinc/20/99/51/351209951.db2.gz RNKMCGPQLOPLAR-NSHDSACASA-N 1 0 222.288 0.490 10 0 BCAERO [NH3+]CCN1CCOC[C@@H](c2ncco2)C1 ZINC000616661798 351210976 /nfs/dbraw/zinc/21/09/76/351210976.db2.gz YPDCOVXZSBSIHR-VIFPVBQESA-N 1 0 211.265 0.049 10 0 BCAERO OCc1cccc([C@@H]2C[NH2+]CCOC2)c1 ZINC000616661848 351211730 /nfs/dbraw/zinc/21/17/30/351211730.db2.gz AKMURJVGDBXUBU-GFCCVEGCSA-N 1 0 207.273 0.882 10 0 BCAERO OCCc1ccc([C@@H]2C[NH2+]CCOC2)cc1 ZINC000616664214 351219116 /nfs/dbraw/zinc/21/91/16/351219116.db2.gz XLRLAKMTBYGPGH-CYBMUJFWSA-N 1 0 221.300 0.925 10 0 BCAERO [NH3+]CCN1CCOC[C@H](c2cnoc2)C1 ZINC000616664225 351219244 /nfs/dbraw/zinc/21/92/44/351219244.db2.gz RBALZCLWPFKQFG-SNVBAGLBSA-N 1 0 211.265 0.049 10 0 BCAERO OCC[N@@H+]1CCO[C@H](c2c[nH]cn2)CC1 ZINC000616665396 351222196 /nfs/dbraw/zinc/22/21/96/351222196.db2.gz HPVXDTNTTDCJAB-JTQLQIEISA-N 1 0 211.265 0.165 10 0 BCAERO OCC[N@@H+]1CCO[C@H](c2ncccn2)CC1 ZINC000616665618 351223309 /nfs/dbraw/zinc/22/33/09/351223309.db2.gz OQNMXWJKDHSDHN-JTQLQIEISA-N 1 0 223.276 0.232 10 0 BCAERO [NH3+]CCN1CCO[C@H](c2ccno2)CC1 ZINC000616665726 351223356 /nfs/dbraw/zinc/22/33/56/351223356.db2.gz VLUGRKPZFCVZGT-VIFPVBQESA-N 1 0 211.265 0.397 10 0 BCAERO OCC[N@@H+]1CCO[C@@H](c2ncccn2)CC1 ZINC000616666334 351225661 /nfs/dbraw/zinc/22/56/61/351225661.db2.gz OQNMXWJKDHSDHN-SNVBAGLBSA-N 1 0 223.276 0.232 10 0 BCAERO CS(=O)(=O)N[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000063213927 351280931 /nfs/dbraw/zinc/28/09/31/351280931.db2.gz KPENKMDGTUDMQX-JGVFFNPUSA-N 1 0 206.311 0.196 10 0 BCAERO C[C@H](CC(N)=S)[N@@H+]1C[C@H](O)C(C)(C)C1 ZINC000306885383 351292174 /nfs/dbraw/zinc/29/21/74/351292174.db2.gz RHJPYYAEYROJID-SFYZADRCSA-N 1 0 216.350 0.754 10 0 BCAERO CCn1ncnc1C(=O)C1=CC[C@H]([NH3+])C1 ZINC000306886696 351293290 /nfs/dbraw/zinc/29/32/90/351293290.db2.gz PSXLMZXICUJUGO-SFYZADRCSA-N 1 0 206.249 0.384 10 0 BCAERO CO[C@@H]1C[N@@H+]([C@H]2CCCCC2=O)C[C@H]1O ZINC000306886146 351293518 /nfs/dbraw/zinc/29/35/18/351293518.db2.gz SDLPDMIOQDBFNU-JMJZKYOTSA-N 1 0 213.277 0.190 10 0 BCAERO C[C@H]1CSCCN1C1(C[NH3+])CSC1 ZINC000306909095 351321465 /nfs/dbraw/zinc/32/14/65/351321465.db2.gz GHKPOKKBMMBCGD-QMMMGPOBSA-N 1 0 218.391 0.868 10 0 BCAERO [NH3+][C@H]1CCC[C@@H]1NC(=O)c1cscn1 ZINC000063171871 351268875 /nfs/dbraw/zinc/26/88/75/351268875.db2.gz CIDGZFUAPBNYTF-BQBZGAKWSA-N 1 0 211.290 0.753 10 0 BCAERO CN1CCN(CC(=O)c2ccc[nH]2)CC1 ZINC000034981399 351373542 /nfs/dbraw/zinc/37/35/42/351373542.db2.gz ZYWOBSJTUATEHW-UHFFFAOYSA-N 1 0 207.277 0.445 10 0 BCAERO CC(C)[S@@](=O)N1C[C@H]([NH3+])CC[C@H]1C ZINC000306981141 351400759 /nfs/dbraw/zinc/40/07/59/351400759.db2.gz HHEGBBQDAOFRBL-JRKPZEMJSA-N 1 0 204.339 0.870 10 0 BCAERO CC(C)[S@](=O)N1C[C@H]([NH3+])CC[C@H]1C ZINC000306981142 351401136 /nfs/dbraw/zinc/40/11/36/351401136.db2.gz HHEGBBQDAOFRBL-KKFJDGPESA-N 1 0 204.339 0.870 10 0 BCAERO C[C@H]([NH3+])c1nnnn1[C@H]1CCS[C@@H]1C ZINC000306987811 351404029 /nfs/dbraw/zinc/40/40/29/351404029.db2.gz ZLQDEGPCRNZTHH-XVMARJQXSA-N 1 0 213.310 0.759 10 0 BCAERO C[C@@H](C(=O)N(C)c1ccccn1)N1CC[NH2+]CC1 ZINC000034958641 351361950 /nfs/dbraw/zinc/36/19/50/351361950.db2.gz GYTKWYVKCYTPBA-NSHDSACASA-N 1 0 248.330 0.338 10 0 BCAERO O[C@H]1C[NH2+]C[C@@H]1N1CCC=C(Br)C1 ZINC000404424219 351440037 /nfs/dbraw/zinc/44/00/37/351440037.db2.gz LGILFKZKAPISJX-IUCAKERBSA-N 1 0 247.136 0.304 10 0 BCAERO C[NH2+][C@@H](C)C(=O)N[C@H]1CSC1(C)C ZINC000307059448 351458373 /nfs/dbraw/zinc/45/83/73/351458373.db2.gz MQUHWZLRYCXRCD-BQBZGAKWSA-N 1 0 202.323 0.605 10 0 BCAERO C[C@H]1[C@]2(CCS1(=O)=O)CCC[NH2+]C2 ZINC000307058518 351458397 /nfs/dbraw/zinc/45/83/97/351458397.db2.gz GIHCBFOURVAGGX-IUCAKERBSA-N 1 0 203.307 0.563 10 0 BCAERO C[C@@H]1C[C@H]([NH3+])CN(Cc2csnn2)C1 ZINC000306996724 351411746 /nfs/dbraw/zinc/41/17/46/351411746.db2.gz TWXLPYCCSGQIGI-SFYZADRCSA-N 1 0 212.322 0.707 10 0 BCAERO C[C@H]1C[C@@H](C(=O)N=S(C)(C)=O)CC[NH2+]1 ZINC000306998520 351412908 /nfs/dbraw/zinc/41/29/08/351412908.db2.gz CAXXCTGIFLBKPL-YUMQZZPRSA-N 1 0 218.322 0.629 10 0 BCAERO C[C@@H]1[C@@]2(CCS1(=O)=O)CC[NH2+]C[C@H]2C ZINC000307138565 351495041 /nfs/dbraw/zinc/49/50/41/351495041.db2.gz ATIWGBCCGUFVLN-OPRDCNLKSA-N 1 0 217.334 0.809 10 0 BCAERO C[C@H]1CSC[C@H]1[NH2+]Cc1n[nH]c(=O)s1 ZINC000307145881 351499245 /nfs/dbraw/zinc/49/92/45/351499245.db2.gz MTUSPUNAPKRZIT-NTSWFWBYSA-N 1 0 231.346 0.673 10 0 BCAERO C[C@H]1C[S@](=O)CCN1CC(C)(C)[NH3+] ZINC000307149121 351503065 /nfs/dbraw/zinc/50/30/65/351503065.db2.gz REFUEBATCUYZNQ-ISVAXAHUSA-N 1 0 204.339 0.177 10 0 BCAERO CC1(C)C[NH2+][C@@H]1C[N-]C(=O)C(F)(F)F ZINC000307153232 351505982 /nfs/dbraw/zinc/50/59/82/351505982.db2.gz ZUMRUZFQIYOJOQ-RXMQYKEDSA-N 1 0 210.199 0.663 10 0 BCAERO CC[C@@](C)(NC1=NCCS1)C(N)=O ZINC000307152420 351506056 /nfs/dbraw/zinc/50/60/56/351506056.db2.gz YDHKFJVPNGSZOE-MRVPVSSYSA-N 1 0 201.295 0.333 10 0 BCAERO CC[C@H](NC(=O)[C@@H]([NH3+])COC)c1nccs1 ZINC000088004563 351510687 /nfs/dbraw/zinc/51/06/87/351510687.db2.gz PQGKPYJEGZBDFM-YUMQZZPRSA-N 1 0 243.332 0.684 10 0 BCAERO C[C@]1(C(=O)N[C@H]2C[C@@H]2[NH3+])CC1(Cl)Cl ZINC000307081330 351469634 /nfs/dbraw/zinc/46/96/34/351469634.db2.gz JADMXIOIJBZGCJ-KZLJYQGOSA-N 1 0 223.103 0.786 10 0 BCAERO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)C(F)(F)F ZINC000133671325 351469679 /nfs/dbraw/zinc/46/96/79/351469679.db2.gz YIQYSFQFXXENRM-RITPCOANSA-N 1 0 210.199 0.887 10 0 BCAERO C[C@@H]1C[C@H]([NH2+][C@@H]2CNC(=O)C2)CS1 ZINC000228898901 351477546 /nfs/dbraw/zinc/47/75/46/351477546.db2.gz ZEHXANGOEHLXQF-CSMHCCOUSA-N 1 0 200.307 0.359 10 0 BCAERO C[C@@H]1C[NH2+]C[C@@H]1c1c(Br)nnn1C ZINC000307099841 351479552 /nfs/dbraw/zinc/47/95/52/351479552.db2.gz XINXPGVMSXVFFK-RITPCOANSA-N 1 0 245.124 0.901 10 0 BCAERO COC[C@@H]([NH3+])C(=O)Nc1cccc(C)c1 ZINC000088002467 351483459 /nfs/dbraw/zinc/48/34/59/351483459.db2.gz XOYLGGUVZGUUIP-SNVBAGLBSA-N 1 0 208.261 0.907 10 0 BCAERO O=C([C@H]1CCC[NH2+]C1)N1CCOCC12CCC2 ZINC000571651557 351537023 /nfs/dbraw/zinc/53/70/23/351537023.db2.gz FYJJWMGJQRAIAG-NSHDSACASA-N 1 0 238.331 0.768 10 0 BCAERO CC[C@]1([C@H]2CCOC2)C[NH2+]C[C@@H]1C(N)=O ZINC000307168899 351543198 /nfs/dbraw/zinc/54/31/98/351543198.db2.gz WHSKWHIHWLVHKJ-IQJOONFLSA-N 1 0 212.293 0.124 10 0 BCAERO CNC(=O)[C@@H](C)[N@@H+]1CCS[C@H](C)C1 ZINC000307190950 351592510 /nfs/dbraw/zinc/59/25/10/351592510.db2.gz KBJUNCAUVCMRGR-HTQZYQBOSA-N 1 0 202.323 0.558 10 0 BCAERO [NH2+]=C(NCc1ccccc1)N[C@@H]1CCC(=O)NC1 ZINC000307171697 351560178 /nfs/dbraw/zinc/56/01/78/351560178.db2.gz BIURRZHGTGWEHU-LLVKDONJSA-N 1 0 246.314 0.579 10 0 BCAERO C[C@@H]1CN(S(=O)(=O)CC(C)(C)C)C[C@@H]1C[NH3+] ZINC000631966586 363077570 /nfs/dbraw/zinc/07/75/70/363077570.db2.gz UKHQZCMWGMZQOH-ZJUUUORDSA-N 1 0 248.392 0.889 10 0 BCAERO CC[C@H](NC(C)=O)C(=O)N1CCCC[C@H]1C[NH3+] ZINC000637816488 351655698 /nfs/dbraw/zinc/65/56/98/351655698.db2.gz HYCZQYUMLPJHDG-QWRGUYRKSA-N 1 0 241.335 0.241 10 0 BCAERO Cn1cc(-c2ccnc(NCC[NH3+])n2)cn1 ZINC000002538442 180627994 /nfs/dbraw/zinc/62/79/94/180627994.db2.gz SKQXTSCVZAMQSH-UHFFFAOYSA-N 1 0 218.264 0.248 10 0 BCAERO CC[C@H](NC(C)=O)C(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000637850176 351707379 /nfs/dbraw/zinc/70/73/79/351707379.db2.gz JCKQEHARLBZVPH-OUAUKWLOSA-N 1 0 241.335 0.145 10 0 BCAERO CC[C@H](NC(C)=O)C(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000637850174 351707530 /nfs/dbraw/zinc/70/75/30/351707530.db2.gz JCKQEHARLBZVPH-DCAQKATOSA-N 1 0 241.335 0.145 10 0 BCAERO Cc1conc1C(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000637848712 351706136 /nfs/dbraw/zinc/70/61/36/351706136.db2.gz DJSMWMNPJYXAGV-BDAKNGLRSA-N 1 0 223.276 0.840 10 0 BCAERO Cn1cc(C(=O)N[C@H]2CCCC[C@H]2[NH3+])cn1 ZINC000038049599 180634765 /nfs/dbraw/zinc/63/47/65/180634765.db2.gz RTFSUUPOZIPOPC-ZJUUUORDSA-N 1 0 222.292 0.420 10 0 BCAERO CC[NH2+][C@@H](C)C(=O)N(C)C[C@H]1CCCO1 ZINC000637909622 351779223 /nfs/dbraw/zinc/77/92/23/351779223.db2.gz SQDTUKFKSQVUSP-VHSXEESVSA-N 1 0 214.309 0.622 10 0 BCAERO Cn1cnnc1C(=O)[C@]1(C)CCCC[NH2+]1 ZINC000307252760 351779464 /nfs/dbraw/zinc/77/94/64/351779464.db2.gz SYMKAWCEDRZGRG-JTQLQIEISA-N 1 0 208.265 0.530 10 0 BCAERO Cn1cnnc1C(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000307252761 351779693 /nfs/dbraw/zinc/77/96/93/351779693.db2.gz SYMKAWCEDRZGRG-SNVBAGLBSA-N 1 0 208.265 0.530 10 0 BCAERO CC(C)CC[C@H]([NH3+])C(=O)NCC[C@@H](C)O ZINC000637910108 351780339 /nfs/dbraw/zinc/78/03/39/351780339.db2.gz LOCPLUVFIZNPAZ-ZJUUUORDSA-N 1 0 216.325 0.637 10 0 BCAERO C[C@@H]1[C@H](O)CCC[N@@H+]1CCC(C)(C)[NH3+] ZINC000307253100 351784043 /nfs/dbraw/zinc/78/40/43/351784043.db2.gz UOKXGJFQULGEHT-NXEZZACHSA-N 1 0 200.326 0.959 10 0 BCAERO C[C@H](NC(=O)[C@]1(C)C[NH2+]CCO1)[C@H]1CCCO1 ZINC000637930374 351805746 /nfs/dbraw/zinc/80/57/46/351805746.db2.gz WTTVUVRLNBWQNR-UMNHJUIQSA-N 1 0 242.319 0.049 10 0 BCAERO C[C@H](NC(=O)C1=CC[C@H]([NH3+])C1)[C@H]1CCCO1 ZINC000637928701 351805425 /nfs/dbraw/zinc/80/54/25/351805425.db2.gz FDBCWYQQIJVCIF-INTQDDNPSA-N 1 0 224.304 0.718 10 0 BCAERO N#CNC[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000307251216 351770610 /nfs/dbraw/zinc/77/06/10/351770610.db2.gz NLRNXJQBWZGWED-CYBMUJFWSA-N 1 0 231.299 0.958 10 0 BCAERO C[C@@H]([NH3+])c1cnc(-c2cn(C)nn2)s1 ZINC000307270493 351818955 /nfs/dbraw/zinc/81/89/55/351818955.db2.gz ACIBQYNQYPRNGY-RXMQYKEDSA-N 1 0 209.278 0.958 10 0 BCAERO OCC1CC[NH+]([C@@H]2CCO[C@]23CCOC3)CC1 ZINC000725268813 538101350 /nfs/dbraw/zinc/10/13/50/538101350.db2.gz BYSLXRSFOAOQNK-OLZOCXBDSA-N 1 0 241.331 0.639 10 0 BCAERO CC(C)CC[C@@H]([NH3+])C(=O)N[C@@H]1CCCNC1=O ZINC000637958849 351834189 /nfs/dbraw/zinc/83/41/89/351834189.db2.gz XFOKCDZGRMOCRQ-NXEZZACHSA-N 1 0 241.335 0.145 10 0 BCAERO C[C@H](NC(=O)C1=CC[C@H]([NH3+])C1)[C@@H]1CCCO1 ZINC000637928703 351805953 /nfs/dbraw/zinc/80/59/53/351805953.db2.gz FDBCWYQQIJVCIF-LSJOCFKGSA-N 1 0 224.304 0.718 10 0 BCAERO C[C@@H]1C[NH2+]CCN1[C@@H]1CCO[C@]12CCOC2 ZINC000725268796 538101415 /nfs/dbraw/zinc/10/14/15/538101415.db2.gz AVBHFEWUZSDYHD-UTUOFQBUSA-N 1 0 226.320 0.228 10 0 BCAERO [NH3+]C[C@]1(C(=O)N[C@@H]2CCCOC2)CCCOC1 ZINC000637981787 351856632 /nfs/dbraw/zinc/85/66/32/351856632.db2.gz KWOVMVWKVCVPJH-ZYHUDNBSSA-N 1 0 242.319 0.037 10 0 BCAERO O=C(CCC1C[NH2+]C1)NC[C@@H]1CCC[C@@H]1O ZINC000637964859 351839088 /nfs/dbraw/zinc/83/90/88/351839088.db2.gz MSZBXTIEKRKZIS-QWRGUYRKSA-N 1 0 226.320 0.263 10 0 BCAERO CC[NH2+][C@@H](C)C(=O)NCC1(C)COC1 ZINC000637993751 351867883 /nfs/dbraw/zinc/86/78/83/351867883.db2.gz SCYGWCQBLOEBED-QMMMGPOBSA-N 1 0 200.282 0.137 10 0 BCAERO C[C@@H]([NH3+])[C@H]1CN(C2CSC2)CCO1 ZINC000307306611 351933391 /nfs/dbraw/zinc/93/33/91/351933391.db2.gz TZYFGVJZTPHKQT-VXNVDRBHSA-N 1 0 202.323 0.150 10 0 BCAERO [NH3+][C@@H]1CC=C(C(=O)NC[C@H]2CCCC[C@@H]2O)C1 ZINC000638012268 351890263 /nfs/dbraw/zinc/89/02/63/351890263.db2.gz VMKJJMGJKUUUJF-UTUOFQBUSA-N 1 0 238.331 0.701 10 0 BCAERO C[C@@H]1CCCN(c2ccc3nncn3n2)[C@H]1C[NH3+] ZINC000420193047 192173952 /nfs/dbraw/zinc/17/39/52/192173952.db2.gz TXSTZSXOGKZOTC-ZJUUUORDSA-N 1 0 246.318 0.688 10 0 BCAERO C[C@@H]1CCO[C@H]1C(=O)NCC(C)(C)[NH3+] ZINC000168375091 351997417 /nfs/dbraw/zinc/99/74/17/351997417.db2.gz KGADKDFSSUJOAP-HTQZYQBOSA-N 1 0 200.282 0.265 10 0 BCAERO C[C@H]1CCCN(c2ccc3nncn3n2)[C@H]1C[NH3+] ZINC000420193043 192173845 /nfs/dbraw/zinc/17/38/45/192173845.db2.gz TXSTZSXOGKZOTC-UWVGGRQHSA-N 1 0 246.318 0.688 10 0 BCAERO C[S@](=O)N1C[C@@H]2CCC[C@@]2(C[NH3+])C1 ZINC000307329410 352029567 /nfs/dbraw/zinc/02/95/67/352029567.db2.gz WYQHHIGJKDLFBK-RWEMILLDSA-N 1 0 202.323 0.341 10 0 BCAERO COC1CC(C(=O)NC[C@H]2CC[NH2+]C2)C1 ZINC000638166414 352030509 /nfs/dbraw/zinc/03/05/09/352030509.db2.gz GOUSDFQIYJIHJJ-IDKOKCKLSA-N 1 0 212.293 0.137 10 0 BCAERO Cc1conc1C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000638167796 352035816 /nfs/dbraw/zinc/03/58/16/352035816.db2.gz PXBOSIIXWWXEHB-LPEHRKFASA-N 1 0 235.287 0.792 10 0 BCAERO CC[NH2+][C@H](C)C(=O)N[C@H]1CCO[C@@H]1C ZINC000638171413 352038714 /nfs/dbraw/zinc/03/87/14/352038714.db2.gz VTOUCPPXJPSBMM-HLTSFMKQSA-N 1 0 200.282 0.278 10 0 BCAERO CC(C)C(=O)N[C@H]1CCOC12CC[NH2+]CC2 ZINC000725270061 538101937 /nfs/dbraw/zinc/10/19/37/538101937.db2.gz WPDSZYJGYCTEND-JTQLQIEISA-N 1 0 226.320 0.670 10 0 BCAERO Cc1conc1C(=O)N1C[C@H](C)[C@H]([NH3+])C1 ZINC000638331578 352153768 /nfs/dbraw/zinc/15/37/68/352153768.db2.gz KWJAVEVDKBTGNG-POYBYMJQSA-N 1 0 209.249 0.402 10 0 BCAERO Cn1ccc(C(=O)N[C@H]2CCCC[C@H]2[NH3+])cc1=O ZINC000185444980 180687346 /nfs/dbraw/zinc/68/73/46/180687346.db2.gz CHFWFSVMQPYPKR-MNOVXSKESA-N 1 0 249.314 0.385 10 0 BCAERO COCCNC(=O)Nc1cccc(C[NH3+])n1 ZINC000725270334 538102165 /nfs/dbraw/zinc/10/21/65/538102165.db2.gz HBWSJMAENDESBT-UHFFFAOYSA-N 1 0 224.264 0.308 10 0 BCAERO COCC[NH2+]CCNc1nccnc1C ZINC000214246602 363123187 /nfs/dbraw/zinc/12/31/87/363123187.db2.gz NUDPPRXZVFTAJW-UHFFFAOYSA-N 1 0 210.281 0.433 10 0 BCAERO CCC[NH2+]CCNc1cnn(C)c(=O)c1Cl ZINC000167904885 535173489 /nfs/dbraw/zinc/17/34/89/535173489.db2.gz BEFGWXCRUZVZAZ-UHFFFAOYSA-N 1 0 244.726 0.845 10 0 BCAERO COC[C@@]1(C(=O)N2C[C@@H]3C[C@@H]3C2)CCC[NH2+]1 ZINC000638474351 352283608 /nfs/dbraw/zinc/28/36/08/352283608.db2.gz KRFRBISTCKCAPJ-JFGNBEQYSA-N 1 0 224.304 0.233 10 0 BCAERO COC(=O)c1ccc(CC[NH3+])cc1OC ZINC000044372029 352292534 /nfs/dbraw/zinc/29/25/34/352292534.db2.gz JKPVUTTYWBSFOK-UHFFFAOYSA-N 1 0 209.245 0.983 10 0 BCAERO C[C@@H]1CCC[N@H+]([C@H](C[NH3+])C(=O)[O-])[C@@H]1C ZINC000252155410 363180583 /nfs/dbraw/zinc/18/05/83/363180583.db2.gz NESBXFFQEVGETH-IWSPIJDZSA-N 1 0 200.282 0.519 10 0 BCAERO C[C@@H]1CCC[N@H+]([C@H](C[NH3+])C(=O)[O-])[C@H]1C ZINC000252155409 363181352 /nfs/dbraw/zinc/18/13/52/363181352.db2.gz NESBXFFQEVGETH-HRDYMLBCSA-N 1 0 200.282 0.519 10 0 BCAERO COC[C@]1(C(=O)NCC2CC=CC2)CCC[NH2+]1 ZINC000638494571 352308784 /nfs/dbraw/zinc/30/87/84/352308784.db2.gz YSBVHNMTBUCWLJ-ZDUSSCGKSA-N 1 0 238.331 0.837 10 0 BCAERO CC(C)NC(=O)N[C@H]1CCOC12CC[NH2+]CC2 ZINC000725270276 538102525 /nfs/dbraw/zinc/10/25/25/538102525.db2.gz ZGZBLDDNAWCIGP-JTQLQIEISA-N 1 0 241.335 0.605 10 0 BCAERO CC(=O)N1C[C@@H]([NH3+])CC[C@H]1C(F)(F)F ZINC000238856738 187677082 /nfs/dbraw/zinc/67/70/82/187677082.db2.gz XBNMCHLRVSHTQD-BQBZGAKWSA-N 1 0 210.199 0.887 10 0 BCAERO Cc1cnc(C)c(N2CCC[NH2+]CC2)n1 ZINC000003716222 187664537 /nfs/dbraw/zinc/66/45/37/187664537.db2.gz IWUOSMQICZTQRU-UHFFFAOYSA-N 1 0 206.293 0.893 10 0 BCAERO C[C@@H](C[N@@H+]1CCC[C@@H](O)C1)C(N)=S ZINC000218447404 352327349 /nfs/dbraw/zinc/32/73/49/352327349.db2.gz HBZUNPVIILBFLD-JGVFFNPUSA-N 1 0 202.323 0.365 10 0 BCAERO CC(C)[C@H](C)NC(=O)COC1C[NH2+]C1 ZINC000062809994 187670246 /nfs/dbraw/zinc/67/02/46/187670246.db2.gz HOKRFKHSKLMPRB-QMMMGPOBSA-N 1 0 200.282 0.136 10 0 BCAERO CC1(C(=O)N2CCC3(CC2)OCC[C@H]3[NH3+])CC1 ZINC000725270273 538102846 /nfs/dbraw/zinc/10/28/46/538102846.db2.gz ZGRNZXISSIUDIP-SNVBAGLBSA-N 1 0 238.331 0.895 10 0 BCAERO [NH3+]C1(CNC(=O)CC(F)(F)F)CCOCC1 ZINC000638538765 352369352 /nfs/dbraw/zinc/36/93/52/352369352.db2.gz XLSZAKPZSSKQLW-UHFFFAOYSA-N 1 0 240.225 0.563 10 0 BCAERO COC(=O)[C@@H](CCCC[NH3+])[C@H]1CCOC1 ZINC000725271404 538103028 /nfs/dbraw/zinc/10/30/28/538103028.db2.gz MCKUQXZHIURRNF-UWVGGRQHSA-N 1 0 215.293 0.941 10 0 BCAERO CC(=O)N1CCC2(CC1)C[NH2+]C[C@@H](C)O2 ZINC000725271337 538103137 /nfs/dbraw/zinc/10/31/37/538103137.db2.gz CYQZJRYFCLYRED-SECBINFHSA-N 1 0 212.293 0.376 10 0 BCAERO C[NH2+]CCOCCN(C)C(=O)CC(F)(F)F ZINC000638588176 352418543 /nfs/dbraw/zinc/41/85/43/352418543.db2.gz GKAYSEDFTBSNMV-UHFFFAOYSA-N 1 0 242.241 0.633 10 0 BCAERO Cn1ccs/c1=N\C(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000163228149 187707953 /nfs/dbraw/zinc/70/79/53/187707953.db2.gz SZHBMSZDUWFNPO-KCFBSYFESA-N 1 0 225.317 0.641 10 0 BCAERO Cc1ncccc1CNC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000638600823 352433342 /nfs/dbraw/zinc/43/33/42/352433342.db2.gz FKJXCBJTWHNOQT-WDEREUQCSA-N 1 0 237.278 0.706 10 0 BCAERO COC[C@H]([NH3+])C(=O)NCC[C@H]1CC=CCC1 ZINC000638601222 352436123 /nfs/dbraw/zinc/43/61/23/352436123.db2.gz OAQUZTWUPHAMLV-QWRGUYRKSA-N 1 0 226.320 0.823 10 0 BCAERO O=C(NCC[C@@H]1CC=CCC1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000638601986 352437790 /nfs/dbraw/zinc/43/77/90/352437790.db2.gz UEXUYTVGSLNJFN-IJLUTSLNSA-N 1 0 238.331 0.572 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)N1CCO[C@@H](COCC)C1 ZINC000638602944 352439255 /nfs/dbraw/zinc/43/92/55/352439255.db2.gz PSHWXXCEWYRMBG-GHMZBOCLSA-N 1 0 244.335 0.378 10 0 BCAERO C[C@@H]1CCC[N@H+](CC[C@@H]([NH3+])C(=O)[O-])C1 ZINC000218559205 538103690 /nfs/dbraw/zinc/10/36/90/538103690.db2.gz UHDGRPJZZAWQDF-RKDXNWHRSA-N 1 0 200.282 0.520 10 0 BCAERO C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1NC(=O)[C@H]1CC[NH2+]C1 ZINC000638630175 352469235 /nfs/dbraw/zinc/46/92/35/352469235.db2.gz QQXYNBAFRQCWFR-XXFSISAASA-N 1 0 226.320 0.524 10 0 BCAERO C[C@@H]1CSC[C@H]1[NH2+][C@H]1CNC(=O)C1 ZINC000307376822 352475440 /nfs/dbraw/zinc/47/54/40/352475440.db2.gz BXADGHAMTCKDFR-BWZBUEFSSA-N 1 0 200.307 0.216 10 0 BCAERO C[C@H](O)[C@H](C)[N@@H+]1CC[C@H](O)C(C)(C)C1 ZINC000307387306 352547400 /nfs/dbraw/zinc/54/74/00/352547400.db2.gz CKCLJRQGORPTPO-GUBZILKMSA-N 1 0 201.310 0.849 10 0 BCAERO C[C@H]([C@H](C)O)[N@@H+]1CC[C@H](O)C(C)(C)C1 ZINC000307387309 352547407 /nfs/dbraw/zinc/54/74/07/352547407.db2.gz CKCLJRQGORPTPO-UTLUCORTSA-N 1 0 201.310 0.849 10 0 BCAERO C[C@H](CC(N)=O)[NH2+][C@@H]1CCCCC[C@H]1O ZINC000252980676 538104036 /nfs/dbraw/zinc/10/40/36/538104036.db2.gz NOSYCWWJTCHOSU-OPRDCNLKSA-N 1 0 214.309 0.534 10 0 BCAERO CC(C)[C@@H]([NH3+])CC(=O)N1CCO[C@@H](CCF)C1 ZINC000638682878 352520210 /nfs/dbraw/zinc/52/02/10/352520210.db2.gz BDGMIKPKRWHFNK-QWRGUYRKSA-N 1 0 246.326 0.947 10 0 BCAERO C[NH2+][C@H](C)C(=O)N1CCO[C@@H](CCF)C1 ZINC000638683571 352520830 /nfs/dbraw/zinc/52/08/30/352520830.db2.gz KBHSGZNLUZTWDH-BDAKNGLRSA-N 1 0 218.272 0.181 10 0 BCAERO C[C@]1(C(=O)N2CCO[C@@H](CCF)C2)CCC[NH2+]1 ZINC000638683074 352520903 /nfs/dbraw/zinc/52/09/03/352520903.db2.gz CEHAWMSBDVYMKK-CMPLNLGQSA-N 1 0 244.310 0.716 10 0 BCAERO CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCO[C@@H](CCF)C1 ZINC000638683112 352521119 /nfs/dbraw/zinc/52/11/19/352521119.db2.gz CHGAQUXTBRKTKO-GARJFASQSA-N 1 0 246.326 0.947 10 0 BCAERO O=C(N[C@@H]1CO[C@H](C2CC2)C1)[C@H]1CC[NH2+]C1 ZINC000638695476 352532598 /nfs/dbraw/zinc/53/25/98/352532598.db2.gz OIVJCDXSNGJLBH-DCAQKATOSA-N 1 0 224.304 0.280 10 0 BCAERO NC(=O)[C@@]1([NH3+])CC[C@H](Sc2ncc[nH]2)C1 ZINC000300340099 352559175 /nfs/dbraw/zinc/55/91/75/352559175.db2.gz OSDLLCUYLKXFIJ-IMTBSYHQSA-N 1 0 226.305 0.237 10 0 BCAERO CCCC(=O)N1CC[NH2+]C[C@@H]1COC ZINC000725272666 538104401 /nfs/dbraw/zinc/10/44/01/538104401.db2.gz JGIIVHCEISGVAV-SECBINFHSA-N 1 0 200.282 0.233 10 0 BCAERO [NH3+]Cc1cc(-n2cc(Cl)cn2)ncn1 ZINC000307447540 352603165 /nfs/dbraw/zinc/60/31/65/352603165.db2.gz JLOSIRSUHSUHCB-UHFFFAOYSA-N 1 0 209.640 0.774 10 0 BCAERO [NH3+]C[C@@H]1CSCCN1c1ncns1 ZINC000307465124 352615361 /nfs/dbraw/zinc/61/53/61/352615361.db2.gz MIDMNFIAGRZRDE-ZCFIWIBFSA-N 1 0 216.335 0.419 10 0 BCAERO OC1(CNc2nc(Cl)cs2)C[NH2+]C1 ZINC000300803510 352575377 /nfs/dbraw/zinc/57/53/77/352575377.db2.gz VVTBJBKCZCDMQY-UHFFFAOYSA-N 1 0 219.697 0.543 10 0 BCAERO O=C(NC1(C(F)F)CC1)[C@H]1CC[NH2+]C1 ZINC000638724261 352579088 /nfs/dbraw/zinc/57/90/88/352579088.db2.gz BOIDLBMLFMDKAW-LURJTMIESA-N 1 0 204.220 0.510 10 0 BCAERO C[C@@H]1C[NH2+]CC[C@@H]1C(=O)N=S(C)(C)=O ZINC000307405062 352580450 /nfs/dbraw/zinc/58/04/50/352580450.db2.gz CQQJFWTYPXAYED-SFYZADRCSA-N 1 0 218.322 0.486 10 0 BCAERO C[C@@H]1C[NH2+]CC[C@H]1C(=O)N=S(C)(C)=O ZINC000307405059 352580676 /nfs/dbraw/zinc/58/06/76/352580676.db2.gz CQQJFWTYPXAYED-HTQZYQBOSA-N 1 0 218.322 0.486 10 0 BCAERO O=C(NC1(C(F)F)CC1)[C@H]1CCC[NH2+]C1 ZINC000638725426 352583149 /nfs/dbraw/zinc/58/31/49/352583149.db2.gz GGLPMEYQLJVSNC-ZETCQYMHSA-N 1 0 218.247 0.900 10 0 BCAERO [NH3+]CC(=O)Nc1cc(Br)ccn1 ZINC000307537341 352641075 /nfs/dbraw/zinc/64/10/75/352641075.db2.gz VASHAAFOMUCYJH-UHFFFAOYSA-N 1 0 230.065 0.741 10 0 BCAERO C[C@@H]1C[C@H]([NH2+]Cc2nnnn2C)CS1 ZINC000307539065 352643391 /nfs/dbraw/zinc/64/33/91/352643391.db2.gz TVSMQTCEWKGRSS-RQJHMYQMSA-N 1 0 213.310 0.194 10 0 BCAERO C[C@@H](C[NH3+])N1CC[S@](=O)C(C)(C)CC1 ZINC000307543543 352644988 /nfs/dbraw/zinc/64/49/88/352644988.db2.gz AIOAIBWKHKKXRC-XPTSAGLGSA-N 1 0 218.366 0.567 10 0 BCAERO CC(C)CN(C)C(=O)C1(C[NH3+])CCOCC1 ZINC000044762490 352656596 /nfs/dbraw/zinc/65/65/96/352656596.db2.gz STOBUBSOYKRZDW-UHFFFAOYSA-N 1 0 228.336 0.856 10 0 BCAERO C[C@@H]1CCC[C@@H]1[NH2+]C1CS(=O)(=O)C1 ZINC000307574100 352658404 /nfs/dbraw/zinc/65/84/04/352658404.db2.gz GTZLPNLUGXZLOL-APPZFPTMSA-N 1 0 203.307 0.562 10 0 BCAERO CC[S@](=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000307592511 352662783 /nfs/dbraw/zinc/66/27/83/352662783.db2.gz HXIXLGNVDFFODN-RVBZMBCESA-N 1 0 202.323 0.211 10 0 BCAERO CC(C)[S@](=O)N1[C@H](C)C[NH2+]C[C@@H]1C ZINC000307595641 352665328 /nfs/dbraw/zinc/66/53/28/352665328.db2.gz LNRGCSLJQBVRHG-RWEMILLDSA-N 1 0 204.339 0.741 10 0 BCAERO Cc1ccccc1[C@@H]1C[NH2+]C[C@@H]1C(N)=O ZINC000229235143 352666523 /nfs/dbraw/zinc/66/65/23/352666523.db2.gz SFVKEOLHFPPNIT-QWRGUYRKSA-N 1 0 204.273 0.783 10 0 BCAERO COC(=O)c1ccc(NC[C@@H](C)[NH3+])nc1C ZINC000133915153 352668606 /nfs/dbraw/zinc/66/86/06/352668606.db2.gz ZHBJRUUPYVAPBV-SSDOTTSWSA-N 1 0 223.276 0.936 10 0 BCAERO CC[S@](=O)N1[C@H](C)C[C@@H]2C[NH2+]C[C@@H]21 ZINC000307495742 352625331 /nfs/dbraw/zinc/62/53/31/352625331.db2.gz IFAUDLWUGKQSES-SKNMHBRKSA-N 1 0 202.323 0.352 10 0 BCAERO [NH3+][C@H]1CN(C[C@@H]2CCCSC2)C1=O ZINC000307499508 352626548 /nfs/dbraw/zinc/62/65/48/352626548.db2.gz TUCWQQOXDSRERT-YUMQZZPRSA-N 1 0 200.307 0.299 10 0 BCAERO CC(C)[S@](=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000307623911 352694634 /nfs/dbraw/zinc/69/46/34/352694634.db2.gz IIUFZEBKKKBLEA-ZDMBXUJBSA-N 1 0 204.339 0.728 10 0 BCAERO COCCC1(C(=O)N[C@@H]2C[C@H]2C)CC[NH2+]CC1 ZINC000638765273 352704165 /nfs/dbraw/zinc/70/41/65/352704165.db2.gz COSQVCBOYDOACK-GHMZBOCLSA-N 1 0 240.347 0.917 10 0 BCAERO CC[C@H]1C[NH+]=C(N[C@H]2CNC(=O)C2)S1 ZINC000229255339 352710209 /nfs/dbraw/zinc/71/02/09/352710209.db2.gz MYSBLKRKHKSXJG-RQJHMYQMSA-N 1 0 213.306 0.346 10 0 BCAERO C[NH+](C)C[C@@H]1COC[C@H]1N1CCC[C@H](CO)C1 ZINC000725273872 538104909 /nfs/dbraw/zinc/10/49/09/538104909.db2.gz OTEYRQCLZLUFMP-YNEHKIRRSA-N 1 0 242.363 0.267 10 0 BCAERO CC(C)[S@](=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000307618294 352675653 /nfs/dbraw/zinc/67/56/53/352675653.db2.gz SXMZMWFKVFZKFR-KKFJDGPESA-N 1 0 204.339 0.741 10 0 BCAERO CC(C)N1c2nccn2C2(C[NH2+]C2)CC1=O ZINC000725273718 538104959 /nfs/dbraw/zinc/10/49/59/538104959.db2.gz XKYMQNBQSBSMRA-UHFFFAOYSA-N 1 0 220.276 0.327 10 0 BCAERO C[C@@H]1CN(C(=O)/C=C/C[NH3+])C[C@@H](C)S1 ZINC000307660133 352745306 /nfs/dbraw/zinc/74/53/06/352745306.db2.gz UDBTUJURSUZEFK-HUGTUPKYSA-N 1 0 214.334 0.854 10 0 BCAERO Cc1nn(C)cc1C(=O)C[C@H]1CC[NH2+]C1 ZINC000307669480 352749270 /nfs/dbraw/zinc/74/92/70/352749270.db2.gz SGOYYAAQPHIRBM-SECBINFHSA-N 1 0 207.277 0.911 10 0 BCAERO CC(C)C[NH+]1CCN([C@H]2CCOC[C@@H]2O)CC1 ZINC000725273372 538105109 /nfs/dbraw/zinc/10/51/09/538105109.db2.gz XGMAMPNQYHSVJC-STQMWFEESA-N 1 0 242.363 0.410 10 0 BCAERO Cn1ncc(Br)c1[C@@H]([NH3+])CCO ZINC000307677149 352755166 /nfs/dbraw/zinc/75/51/66/352755166.db2.gz IJLMOLGPSCJFKA-LURJTMIESA-N 1 0 234.097 0.565 10 0 BCAERO [NH3+][C@H](c1ccns1)[C@H]1COCCO1 ZINC000307677525 352755299 /nfs/dbraw/zinc/75/52/99/352755299.db2.gz MAPORPHRQGZUDU-SVRRBLITSA-N 1 0 200.263 0.558 10 0 BCAERO Cn1cnnc1CN1[C@@H]2CCC[C@H]1CC([NH3+])C2 ZINC000054602252 180793584 /nfs/dbraw/zinc/79/35/84/180793584.db2.gz BHVBXSLOJZMZQU-FGWVZKOKSA-N 1 0 235.335 0.659 10 0 BCAERO CCN1CCO[C@@H](C[NH3+])[C@H]1c1ccnn1C ZINC000253278029 538105439 /nfs/dbraw/zinc/10/54/39/538105439.db2.gz JLOMQUHWLWSDDO-WDEREUQCSA-N 1 0 224.308 0.141 10 0 BCAERO CN1CC[C@H](NC(=[NH2+])NCc2ccccc2)C1=O ZINC000307687175 352920203 /nfs/dbraw/zinc/92/02/03/352920203.db2.gz DOROEYTVSIOPQG-NSHDSACASA-N 1 0 246.314 0.531 10 0 BCAERO O=C(CCCCO)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000092172266 538106331 /nfs/dbraw/zinc/10/63/31/538106331.db2.gz MKOGMEUISNELEF-GFCCVEGCSA-N 1 0 240.347 0.846 10 0 BCAERO CNc1nc[nH+]c(NNC(C)(C)C)c1N ZINC000040707074 187945622 /nfs/dbraw/zinc/94/56/22/187945622.db2.gz DFSKOVVDOUPEJR-UHFFFAOYSA-N 1 0 210.285 0.816 10 0 BCAERO CC[C@](C)(NC(=O)[C@H]([NH3+])COC)C1CC1 ZINC000638858495 353035117 /nfs/dbraw/zinc/03/51/17/353035117.db2.gz RFROICWMPIROIX-KOLCDFICSA-N 1 0 214.309 0.655 10 0 BCAERO CCN1CC[C@@H](NC(=O)[C@H]([NH3+])CC(C)C)C1=O ZINC000638822696 353003266 /nfs/dbraw/zinc/00/32/66/353003266.db2.gz BLTACGDBKMQSJO-NXEZZACHSA-N 1 0 241.335 0.097 10 0 BCAERO CC[C@H](C)[C@@H]([NH3+])C(=O)N[C@H]1CCN(CC)C1=O ZINC000638825180 353006656 /nfs/dbraw/zinc/00/66/56/353006656.db2.gz MVDOUNPPRPCXKB-LPEHRKFASA-N 1 0 241.335 0.097 10 0 BCAERO O=C1C[C@H]([NH2+]CCOCc2ccccc2)CN1 ZINC000307702226 353007247 /nfs/dbraw/zinc/00/72/47/353007247.db2.gz OROPMKGGLPWVRJ-LBPRGKRZSA-N 1 0 234.299 0.681 10 0 BCAERO O=C(N[C@@H]1CCCC12CC2)[C@H]1COCCN1 ZINC000638832577 353013861 /nfs/dbraw/zinc/01/38/61/353013861.db2.gz RSCNZDYSXIMOEB-NXEZZACHSA-N 1 0 224.304 0.424 10 0 BCAERO C[C@H]1CN(C(=O)c2cncn2C)C[C@@H]1C[NH3+] ZINC000638891365 353059405 /nfs/dbraw/zinc/05/94/05/353059405.db2.gz GTWRWHIFHLPFSZ-IUCAKERBSA-N 1 0 222.292 0.087 10 0 BCAERO O=C(NCC1CCSCC1)[C@@H]1CC[NH2+]1 ZINC000307419391 353076528 /nfs/dbraw/zinc/07/65/28/353076528.db2.gz HTHFJJGLLLVNRT-VIFPVBQESA-N 1 0 214.334 0.608 10 0 BCAERO C[C@@H]1CN(C(=O)CC(F)(F)F)C[C@H]1C[NH3+] ZINC000638891156 353059591 /nfs/dbraw/zinc/05/95/91/353059591.db2.gz TTYPEZSWGGVBPD-RNFRBKRXSA-N 1 0 224.226 0.992 10 0 BCAERO C[C@@H]1CN(C(=O)c2ccn(C)n2)C[C@@H]1C[NH3+] ZINC000638900089 353062428 /nfs/dbraw/zinc/06/24/28/353062428.db2.gz GGZLACZAGSMSCZ-BDAKNGLRSA-N 1 0 222.292 0.087 10 0 BCAERO C[C@@H]1CN(C(=O)[C@H]2CC23CC3)C[C@H]1C[NH3+] ZINC000638902451 353063672 /nfs/dbraw/zinc/06/36/72/353063672.db2.gz MIIYGSGGHSWNKA-OPRDCNLKSA-N 1 0 208.305 0.840 10 0 BCAERO COC1CC(C(=O)N2C[C@H](C)[C@H](C[NH3+])C2)C1 ZINC000638901906 353063763 /nfs/dbraw/zinc/06/37/63/353063763.db2.gz KLSYTZSNXMKACD-QPBDYMMBSA-N 1 0 226.320 0.465 10 0 BCAERO C[S@](=O)N1C[C@@H]2C[NH2+]C[C@@H]2C1(C)C ZINC000307436431 353076778 /nfs/dbraw/zinc/07/67/78/353076778.db2.gz PBWQQYOFNOTGAW-UPFKWVMWSA-N 1 0 202.323 0.210 10 0 BCAERO COC1(CC(=O)N2C[C@H](C)[C@H](C[NH3+])C2)CCC1 ZINC000638907453 353068754 /nfs/dbraw/zinc/06/87/54/353068754.db2.gz YMYLURQFQPMKAS-WDEREUQCSA-N 1 0 240.347 0.999 10 0 BCAERO Cc1[nH]nc(C(=O)N2C[C@H](C)[C@@H](C[NH3+])C2)c1C ZINC000638910332 353070055 /nfs/dbraw/zinc/07/00/55/353070055.db2.gz DJMABPDCYJTGFU-XVKPBYJWSA-N 1 0 236.319 0.693 10 0 BCAERO Cc1nc(C)c(C(=O)N2C[C@H](C)[C@@H](C[NH3+])C2)o1 ZINC000638915649 353074549 /nfs/dbraw/zinc/07/45/49/353074549.db2.gz QPHUAGQGLFEBLY-XVKPBYJWSA-N 1 0 237.303 0.958 10 0 BCAERO CN(c1ccc(Cl)nn1)[C@@H]1CC[NH2+]C1 ZINC000070897311 187959673 /nfs/dbraw/zinc/95/96/73/187959673.db2.gz XQJWCWHEDIFYRV-SSDOTTSWSA-N 1 0 212.684 0.928 10 0 BCAERO C[C@@H]1CN(C(=O)[C@H]2CCCOC2)C[C@@H]1C[NH3+] ZINC000638887020 353054107 /nfs/dbraw/zinc/05/41/07/353054107.db2.gz BZIKLVQVGJVUIX-VWYCJHECSA-N 1 0 226.320 0.466 10 0 BCAERO CC(=O)N(Cc1noc(C)n1)[C@H]1CC[NH2+]C1 ZINC000082160356 187966248 /nfs/dbraw/zinc/96/62/48/187966248.db2.gz JXQVVQMCMHWUOO-VIFPVBQESA-N 1 0 224.264 0.088 10 0 BCAERO Cc1nccc(C(=O)N2C[C@H](C)[C@H](C[NH3+])C2)n1 ZINC000638893121 353054565 /nfs/dbraw/zinc/05/45/65/353054565.db2.gz QYEPMVQNXSCHSU-WCBMZHEXSA-N 1 0 234.303 0.452 10 0 BCAERO Cc1nccc(C(=O)N2C[C@@H](C)[C@@H](C[NH3+])C2)n1 ZINC000638893120 353054602 /nfs/dbraw/zinc/05/46/02/353054602.db2.gz QYEPMVQNXSCHSU-SCZZXKLOSA-N 1 0 234.303 0.452 10 0 BCAERO C[C@@H]1CN(C(=O)c2ncccc2O)C[C@H]1C[NH3+] ZINC000638893011 353054699 /nfs/dbraw/zinc/05/46/99/353054699.db2.gz LETCHFZEFBZXPT-RKDXNWHRSA-N 1 0 235.287 0.454 10 0 BCAERO C[C@H]1CN(C(=[NH2+])NCc2ccccc2)CC(=O)N1 ZINC000307125822 353056038 /nfs/dbraw/zinc/05/60/38/353056038.db2.gz HZUDSBZAXLNULQ-JTQLQIEISA-N 1 0 246.314 0.531 10 0 BCAERO C[C@H]1CN(C(=O)Cc2cc[nH]n2)C[C@H]1C[NH3+] ZINC000638894993 353056123 /nfs/dbraw/zinc/05/61/23/353056123.db2.gz SAISPXATBSTSLU-DTWKUNHWSA-N 1 0 222.292 0.005 10 0 BCAERO C[C@@H]1CN(C(=O)Cc2cnn(C)c2)C[C@H]1C[NH3+] ZINC000638896175 353056611 /nfs/dbraw/zinc/05/66/11/353056611.db2.gz VWQLODDJVQSZNC-MWLCHTKSSA-N 1 0 236.319 0.016 10 0 BCAERO C[C@@H]1CN(C(=O)CCn2ccnc2)C[C@H]1C[NH3+] ZINC000638896461 353057169 /nfs/dbraw/zinc/05/71/69/353057169.db2.gz ZGGUTGKCKKMKAZ-GHMZBOCLSA-N 1 0 236.319 0.326 10 0 BCAERO C[C@H]1CN(C(=O)Cc2cnn(C)c2)C[C@@H]1C[NH3+] ZINC000638896179 353057565 /nfs/dbraw/zinc/05/75/65/353057565.db2.gz VWQLODDJVQSZNC-ONGXEEELSA-N 1 0 236.319 0.016 10 0 BCAERO C[C@H]1CN(C(=O)c2cn(C)cn2)C[C@@H]1C[NH3+] ZINC000638896525 353057580 /nfs/dbraw/zinc/05/75/80/353057580.db2.gz WWEYNQBIXXQXEK-IUCAKERBSA-N 1 0 222.292 0.087 10 0 BCAERO CC(C)[C@H](O)C[N@@H+]1CC[C@@H](CCO)C1 ZINC000300931514 188001417 /nfs/dbraw/zinc/00/14/17/188001417.db2.gz WEDGETRLXDQVIQ-WDEREUQCSA-N 1 0 201.310 0.708 10 0 BCAERO C[C@@H]1[C@@]2(CCS1(=O)=O)C[NH2+]C[C@H]2C ZINC000307720183 353109583 /nfs/dbraw/zinc/10/95/83/353109583.db2.gz TUHMUEPTCSMQRE-HLTSFMKQSA-N 1 0 203.307 0.419 10 0 BCAERO Cc1nn(C)cc1C(=O)N1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000638919484 353084569 /nfs/dbraw/zinc/08/45/69/353084569.db2.gz XVVBRYVEKQBKDQ-SCZZXKLOSA-N 1 0 236.319 0.395 10 0 BCAERO CC1CC(C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000638922861 353089615 /nfs/dbraw/zinc/08/96/15/353089615.db2.gz JOXWBLULAQNNOB-HWACXVBKSA-N 1 0 208.305 0.995 10 0 BCAERO Cn1ncc(C[C@@]2(C[NH3+])CCCS2)n1 ZINC000307705640 353097290 /nfs/dbraw/zinc/09/72/90/353097290.db2.gz VWFAXAOVSCPRNZ-SECBINFHSA-N 1 0 212.322 0.582 10 0 BCAERO Cc1oncc1C(=O)N1CC[NH2+]C[C@H]1C ZINC000054370452 188008040 /nfs/dbraw/zinc/00/80/40/188008040.db2.gz PAUMSVARYFPDKS-SSDOTTSWSA-N 1 0 209.249 0.417 10 0 BCAERO CC1(C)N=C(C(=O)c2ccccc2)N(O)[C@]1(C)N ZINC000215942044 188008486 /nfs/dbraw/zinc/00/84/86/188008486.db2.gz BOOWUNAIPILINO-ZDUSSCGKSA-N 1 0 247.298 0.835 10 0 BCAERO CCc1nccn1-c1ccc(NN)[nH+]n1 ZINC000027717380 188010169 /nfs/dbraw/zinc/01/01/69/188010169.db2.gz LSXQCCXQGGKZIL-UHFFFAOYSA-N 1 0 204.237 0.510 10 0 BCAERO C[C@@H](O)[C@@H](C)[N@@H+]1CCCC2(C1)OCCO2 ZINC000134012438 353142285 /nfs/dbraw/zinc/14/22/85/353142285.db2.gz CSJDRMNTNSBMIH-NXEZZACHSA-N 1 0 215.293 0.595 10 0 BCAERO Cn1nccc1NC(=O)C1(C[NH3+])CCC1 ZINC000082640709 180849892 /nfs/dbraw/zinc/84/98/92/180849892.db2.gz GAFXELCVTSLBEM-UHFFFAOYSA-N 1 0 208.265 0.488 10 0 BCAERO CC(C)N(C)S(=O)(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000126869992 188047349 /nfs/dbraw/zinc/04/73/49/188047349.db2.gz PDWZYWRJUIDPAX-ZJUUUORDSA-N 1 0 249.380 0.241 10 0 BCAERO CC1(C)/C(=C\CS(C)(=O)=O)C[C@H]1[NH3+] ZINC000405232147 353149519 /nfs/dbraw/zinc/14/95/19/353149519.db2.gz BPAKXSKGLKRHJO-RBMBQVQZSA-N 1 0 203.307 0.715 10 0 BCAERO Cn1nnnc1Sc1ccc(C[NH3+])cc1 ZINC000035720018 180876500 /nfs/dbraw/zinc/87/65/00/180876500.db2.gz DLMAOSRFUKSRMD-UHFFFAOYSA-N 1 0 221.289 0.820 10 0 BCAERO Cn1nnnc1S[C@@H]1CCC[C@H]1C[NH3+] ZINC000035722709 180876806 /nfs/dbraw/zinc/87/68/06/180876806.db2.gz NPIZFDOHIVPSRT-NKWVEPMBSA-N 1 0 213.310 0.430 10 0 BCAERO COC(OC)[C@H]1CCn2cc(C)[nH+]c2N1 ZINC000300016691 538111376 /nfs/dbraw/zinc/11/13/76/538111376.db2.gz NXKYYUQMUFUWCP-MRVPVSSYSA-N 1 0 211.265 0.995 10 0 BCAERO COC[C@@H]([NH3+])C(=O)Nc1csc(C)c1 ZINC000638993909 353227378 /nfs/dbraw/zinc/22/73/78/353227378.db2.gz FXQOUEKCOGSXPL-MRVPVSSYSA-N 1 0 214.290 0.969 10 0 BCAERO C[C@@H](CC1CCC1)NC(=O)[C@@H]1C[NH2+]CCOC1 ZINC000638998887 353245188 /nfs/dbraw/zinc/24/51/88/353245188.db2.gz WXOZPKHCCNFDOB-CMPLNLGQSA-N 1 0 240.347 0.917 10 0 BCAERO Cc1nc(CS(N)(=O)=O)sc1[C@H](C)[NH3+] ZINC000127195655 353265516 /nfs/dbraw/zinc/26/55/16/353265516.db2.gz QRPSDNKNFANUHX-BYPYZUCNSA-N 1 0 235.334 0.260 10 0 BCAERO CC(C)N(C)C(=O)C[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000104442177 188233449 /nfs/dbraw/zinc/23/34/49/188233449.db2.gz JJAZVNWBDCJVSD-LLVKDONJSA-N 1 0 241.379 0.912 10 0 BCAERO C[C@H](O)C(C)(C)NC(=O)C1([NH3+])CCC1 ZINC000128360682 353284870 /nfs/dbraw/zinc/28/48/70/353284870.db2.gz ZXKJGNDLRUNTDX-ZETCQYMHSA-N 1 0 200.282 0.143 10 0 BCAERO COc1ccc(C[NH2+][C@@H]2CCC(=O)N[C@H]2C)cn1 ZINC000282214409 188268040 /nfs/dbraw/zinc/26/80/40/188268040.db2.gz DONNVQYXLJVOQI-GXSJLCMTSA-N 1 0 249.314 0.847 10 0 BCAERO C/C=C(/C)C(=O)O[C@H]1C[N@@H+]2CCC[C@H]2[C@H]1CO ZINC000005132560 188277058 /nfs/dbraw/zinc/27/70/58/188277058.db2.gz HQARVRYBUBTANR-JTPMTOLCSA-N 1 0 239.315 0.951 10 0 BCAERO CC(=O)N1CCN(C[C@H]2CCCC[NH2+]2)CC1 ZINC000019433645 188281028 /nfs/dbraw/zinc/28/10/28/188281028.db2.gz VAYYURUWHPFPNI-GFCCVEGCSA-N 1 0 225.336 0.293 10 0 BCAERO [NH3+]CCc1nc2cc3c(cc2[nH]1)OCCO3 ZINC000019752710 188281815 /nfs/dbraw/zinc/28/18/15/188281815.db2.gz IBIHUSDGFBEBTI-UHFFFAOYSA-N 1 0 219.244 0.835 10 0 BCAERO CC(C)(CO)NC(=O)C1([NH3+])CCCC1 ZINC000037479473 188287537 /nfs/dbraw/zinc/28/75/37/188287537.db2.gz VWMLFPMWXYPVGZ-UHFFFAOYSA-N 1 0 200.282 0.145 10 0 BCAERO CC(C)[C@H]([NH3+])C(=O)N(C[C@H]1CCOC1)C1CC1 ZINC000037826349 188288376 /nfs/dbraw/zinc/28/83/76/188288376.db2.gz MSEAHHLACVCQPZ-PWSUYJOCSA-N 1 0 240.347 0.997 10 0 BCAERO C[NH+]1CCC(OC(=O)[C@H](N)C(C)(C)C)CC1 ZINC000041019065 188292496 /nfs/dbraw/zinc/29/24/96/188292496.db2.gz ZVBUVXXRKDSGKT-JTQLQIEISA-N 1 0 228.336 0.997 10 0 BCAERO C[N@@H+]1CC[C@H](NC(=O)c2cc(N)cn2C2CC2)C1 ZINC000042543622 188293374 /nfs/dbraw/zinc/29/33/74/188293374.db2.gz XQZFYYCFHXXXKT-JTQLQIEISA-N 1 0 248.330 0.839 10 0 BCAERO C[C@@H]([NH2+][C@@H](C)C(=O)N(C)C)C(=O)NC(C)(C)C ZINC000042571274 188293450 /nfs/dbraw/zinc/29/34/50/188293450.db2.gz QPZRMJVEVYPTBL-BDAKNGLRSA-N 1 0 243.351 0.356 10 0 BCAERO C[C@@H]([NH2+][C@@H](C)C(=O)N(C)C)C(=O)N1CCCC1 ZINC000042571314 188293659 /nfs/dbraw/zinc/29/36/59/188293659.db2.gz GQYDKEGKJJOZPM-VHSXEESVSA-N 1 0 241.335 0.064 10 0 BCAERO COC(=O)C[C@H](C)[N@@H+]1C[C@@H](C(N)=O)CC[C@H]1C ZINC000042429757 188293701 /nfs/dbraw/zinc/29/37/01/188293701.db2.gz JVUKCDLYAIEASN-UTLUCORTSA-N 1 0 242.319 0.524 10 0 BCAERO CC(C)COC[C@@H](O)C[NH2+]CCn1cccn1 ZINC000042540637 188294248 /nfs/dbraw/zinc/29/42/48/188294248.db2.gz SQZBWFNCNOBYJG-LBPRGKRZSA-N 1 0 241.335 0.506 10 0 BCAERO C([C@@H]1CNCCO1)[N@@H+]1CCCSCC1 ZINC000043802594 188297057 /nfs/dbraw/zinc/29/70/57/188297057.db2.gz FQWWUWFELWSSBF-JTQLQIEISA-N 1 0 216.350 0.414 10 0 BCAERO CC(C)Cn1nnnc1[C@H]1CCC[NH2+]C1 ZINC000085343060 188297487 /nfs/dbraw/zinc/29/74/87/188297487.db2.gz KTFCWIBSYHWZJF-VIFPVBQESA-N 1 0 209.297 0.796 10 0 BCAERO CCOC(=O)[C@@H](C)NC(=O)C1CCC([NH3+])CC1 ZINC000049375310 188298745 /nfs/dbraw/zinc/29/87/45/188298745.db2.gz FKGCNJUOPRLCKV-XNWIYYODSA-N 1 0 242.319 0.572 10 0 BCAERO CC(C)[C@@H]([NH3+])c1noc([C@H]2COCCO2)n1 ZINC000055305574 188300157 /nfs/dbraw/zinc/30/01/57/188300157.db2.gz QYKHMBDMXLCJRC-HTQZYQBOSA-N 1 0 227.264 0.813 10 0 BCAERO CC(C)(C)n1ccnc(N[C@@H]2C[C@H]2[NH3+])c1=O ZINC000061767321 188302278 /nfs/dbraw/zinc/30/22/78/188302278.db2.gz FYAAZYDDXQLOBN-HTQZYQBOSA-N 1 0 222.292 0.510 10 0 BCAERO C[C@@H]1CN[C@H](C(=O)NCC2CCCCC2)C[NH2+]1 ZINC000062814440 188303628 /nfs/dbraw/zinc/30/36/28/188303628.db2.gz KTZUXJIIOPSHNB-PWSUYJOCSA-N 1 0 239.363 0.633 10 0 BCAERO CC[C@@](C)(C[NH3+])[C@H](O)c1csnn1 ZINC000308186231 538115466 /nfs/dbraw/zinc/11/54/66/538115466.db2.gz FYXIPFPCBXQUNO-SFYZADRCSA-N 1 0 201.295 0.947 10 0 BCAERO O=C1NCCC[C@H]1[NH2+]CC1CCSCC1 ZINC000308871773 491049194 /nfs/dbraw/zinc/04/91/94/491049194.db2.gz KGRJURKSDJEDIK-SNVBAGLBSA-N 1 0 228.361 0.998 10 0 BCAERO C[C@H]1C[NH2+]C[C@H]1C(=O)Nc1ccc(N(C)C)nc1 ZINC000104222196 188324430 /nfs/dbraw/zinc/32/44/30/188324430.db2.gz HCVBMAOVXDNOKQ-GXSJLCMTSA-N 1 0 248.330 0.942 10 0 BCAERO CC(C)(C[NH3+])C(=O)N1CCCC[C@H]1CO ZINC000044751884 188326113 /nfs/dbraw/zinc/32/61/13/188326113.db2.gz HAMUAKXVJYGWDC-VIFPVBQESA-N 1 0 214.309 0.345 10 0 BCAERO CC1(C)C[C@@H]1NS(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000045138436 188326480 /nfs/dbraw/zinc/32/64/80/188326480.db2.gz OYJNLCRTJSQMCH-IUCAKERBSA-N 1 0 232.349 0.456 10 0 BCAERO CO[C@@H]1CCCN(C(=O)[C@@H]2CCC[C@H]2[NH3+])C1 ZINC000246269298 188330757 /nfs/dbraw/zinc/33/07/57/188330757.db2.gz LQNPOJFZSJSNDJ-GMTAPVOTSA-N 1 0 226.320 0.751 10 0 BCAERO C[C@@H]([NH3+])[C@H](C)C(=O)N1CCn2ccnc2C1 ZINC000165438760 353349839 /nfs/dbraw/zinc/34/98/39/353349839.db2.gz VCHNIWCPDQQDQZ-DTWKUNHWSA-N 1 0 222.292 0.209 10 0 BCAERO CC(C)N(CC[NH3+])C(=O)[C@H]1CCCO1 ZINC000020183197 188351522 /nfs/dbraw/zinc/35/15/22/188351522.db2.gz XBIXRCQKUWGKPS-SECBINFHSA-N 1 0 200.282 0.361 10 0 BCAERO COC(=O)C[C@H](C)N1CC[NH2+]C[C@@H]1C ZINC000054372010 188353787 /nfs/dbraw/zinc/35/37/87/188353787.db2.gz QJVGZCWRRKYYML-IUCAKERBSA-N 1 0 200.282 0.232 10 0 BCAERO CSc1ccc(-n2nnnc2C[NH3+])cc1 ZINC000054745402 188354976 /nfs/dbraw/zinc/35/49/76/188354976.db2.gz RCEALAAKPMMSMB-UHFFFAOYSA-N 1 0 221.289 0.843 10 0 BCAERO CC(C)N(C(C)C)S(=O)(=O)N1CC[NH2+]CC1 ZINC000021952918 188355439 /nfs/dbraw/zinc/35/54/39/188355439.db2.gz GVKDIPJRYVZUKI-UHFFFAOYSA-N 1 0 249.380 0.255 10 0 BCAERO Cc1cc(N2CCO[C@@H]([C@@H](C)[NH3+])C2)c(C#N)cn1 ZINC000398971714 353400860 /nfs/dbraw/zinc/40/08/60/353400860.db2.gz AOANDLMWOXVMGF-ZWNOBZJWSA-N 1 0 246.314 0.814 10 0 BCAERO CO[C@@H]1[C@H]([NH3+])C[C@@H]1OC1CCOCC1 ZINC000133291631 353403880 /nfs/dbraw/zinc/40/38/80/353403880.db2.gz MNPSJHRRCNWQTI-KXUCPTDWSA-N 1 0 201.266 0.297 10 0 BCAERO CC(C)CN(CC(N)=O)C(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000091545047 353409126 /nfs/dbraw/zinc/40/91/26/353409126.db2.gz DJQVEEUHOUEKQV-UWVGGRQHSA-N 1 0 241.335 0.084 10 0 BCAERO CC[N@@H+]1C[C@H](C)[C@H](NCc2ncc[nH]2)C1 ZINC000380340404 538117540 /nfs/dbraw/zinc/11/75/40/538117540.db2.gz RKMLTQGYMIXLPF-VHSXEESVSA-N 1 0 208.309 0.840 10 0 BCAERO Cn1ccs/c1=N\C(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000163228021 188403146 /nfs/dbraw/zinc/40/31/46/188403146.db2.gz SZHBMSZDUWFNPO-ZTTRWAGJSA-N 1 0 225.317 0.641 10 0 BCAERO CN(C(=O)c1ccnn1C)[C@@H]1CCC[NH2+]CC1 ZINC000231477831 353606382 /nfs/dbraw/zinc/60/63/82/353606382.db2.gz AZBLGYUPHFSRDQ-SNVBAGLBSA-N 1 0 236.319 0.634 10 0 BCAERO C[C@@H](O)C1CCN(C(=O)c2c[nH+]ccc2N)CC1 ZINC000232227159 353702998 /nfs/dbraw/zinc/70/29/98/353702998.db2.gz UBAIOBDFLBLKRP-SECBINFHSA-N 1 0 249.314 0.897 10 0 BCAERO COC(=O)C(C)(C)CC[NH2+][C@@H]1C[C@H]1CO ZINC000308956720 353726269 /nfs/dbraw/zinc/72/62/69/353726269.db2.gz QTTJXXVARXJFAM-DTWKUNHWSA-N 1 0 215.293 0.546 10 0 BCAERO C[C@H]([NH2+][C@@H]1CCCCC[C@H]1O)C(N)=O ZINC000252450618 363257467 /nfs/dbraw/zinc/25/74/67/363257467.db2.gz PVIPRRREBMNULX-DJLDLDEBSA-N 1 0 200.282 0.143 10 0 BCAERO Fc1cccnc1NC[C@@H]1C[NH2+]CCO1 ZINC000227786404 181015945 /nfs/dbraw/zinc/01/59/45/181015945.db2.gz BMDRSGHZMZURHL-QMMMGPOBSA-N 1 0 211.240 0.621 10 0 BCAERO CC[N@H+](CCC(=O)OC)C[C@@H]1CCC[NH2+]C1 ZINC000220366687 353837130 /nfs/dbraw/zinc/83/71/30/353837130.db2.gz ZRGJMXXPZXBMEC-LLVKDONJSA-N 1 0 228.336 0.871 10 0 BCAERO CC(C)S(=O)(=O)CCCN(C)[C@@H]1CC[NH2+]C1 ZINC000563888060 353795473 /nfs/dbraw/zinc/79/54/73/353795473.db2.gz YIGMVPRJUBHQGB-LLVKDONJSA-N 1 0 248.392 0.493 10 0 BCAERO CC[C@H]([NH3+])C(=O)N[C@H]1CCOC[C@@H]1C ZINC000300993804 363269308 /nfs/dbraw/zinc/26/93/08/363269308.db2.gz JRGUMXJTUCGUEJ-CIUDSAMLSA-N 1 0 200.282 0.265 10 0 BCAERO CC1(C)[C@H]([NH3+])[C@@]12CCC[C@H]2S(C)(=O)=O ZINC000301010763 363294491 /nfs/dbraw/zinc/29/44/91/363294491.db2.gz OEMYIUWKQSHMOH-WEDXCCLWSA-N 1 0 217.334 0.937 10 0 BCAERO C[C@@H]([NH3+])/C=C\c1c(Br)nnn1C ZINC000308130525 354139630 /nfs/dbraw/zinc/13/96/30/354139630.db2.gz XDGRQZWBLWSVGX-CLBPYYFESA-N 1 0 231.097 0.938 10 0 BCAERO CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CSCN2)C1 ZINC000165941928 354348368 /nfs/dbraw/zinc/34/83/68/354348368.db2.gz AEEYXPFAENLWLP-NXEZZACHSA-N 1 0 243.376 0.249 10 0 BCAERO CC[C@H]1[NH2+]CC[C@@H]1C(=O)N1CCn2ccnc2C1 ZINC000334683759 354429398 /nfs/dbraw/zinc/42/93/98/354429398.db2.gz ISTMSOKSCJISBF-WDEREUQCSA-N 1 0 248.330 0.613 10 0 BCAERO COCCCCC[N@@H+]1C[C@@H](O)C[C@@H]1CO ZINC000179180746 366219202 /nfs/dbraw/zinc/21/92/02/366219202.db2.gz FCDSXMDOAGZEMK-MNOVXSKESA-N 1 0 217.309 0.231 10 0 BCAERO Cc1cn[nH]c1C[N@@H+]1C[C@H](C)C[C@@H](O)C1 ZINC000334735884 354536944 /nfs/dbraw/zinc/53/69/44/354536944.db2.gz UNDWNTHOJYKEIR-PSASIEDQSA-N 1 0 209.293 0.921 10 0 BCAERO Cn1c(Cl)cnc1[C@H]1OC[C@H](C[NH3+])O1 ZINC000301046259 363374098 /nfs/dbraw/zinc/37/40/98/363374098.db2.gz YISLFGFNHKGWFA-XNCJUZBTSA-N 1 0 217.656 0.446 10 0 BCAERO CC[C@](C)(O)CN[C@@H](C(=O)OC)C1CC1 ZINC000234114451 363414353 /nfs/dbraw/zinc/41/43/53/363414353.db2.gz QYTGJIVUTPYSBE-KOLCDFICSA-N 1 0 215.293 0.689 10 0 BCAERO CC[C@](C)(O)CN[C@H](C(=O)OC)C1CC1 ZINC000234111883 363414636 /nfs/dbraw/zinc/41/46/36/363414636.db2.gz QYTGJIVUTPYSBE-ONGXEEELSA-N 1 0 215.293 0.689 10 0 BCAERO O[C@@H]1C[NH2+]CCN(C/C(Cl)=C\Cl)C1 ZINC000308210235 354869178 /nfs/dbraw/zinc/86/91/78/354869178.db2.gz WAEGXBHSRXZTPL-HOOMWESVSA-N 1 0 225.119 0.572 10 0 BCAERO CCOC(=O)COCC[NH2+][C@H]1CCO[C@@H]1C ZINC000233683652 363406094 /nfs/dbraw/zinc/40/60/94/363406094.db2.gz ZKDAXAIBCRDCQH-ZJUUUORDSA-N 1 0 231.292 0.333 10 0 BCAERO CCOC[C@H](N[C@H]1CC[NH2+]C1)C(C)C ZINC000233792985 363408631 /nfs/dbraw/zinc/40/86/31/363408631.db2.gz NRDXDGWEGLPNNV-QWRGUYRKSA-N 1 0 200.326 0.999 10 0 BCAERO CSCCC(=O)N1C[C@H](C)[C@H]([NH3+])C1 ZINC000235032640 363436022 /nfs/dbraw/zinc/43/60/22/363436022.db2.gz AVEBGVCMDFAUJK-JGVFFNPUSA-N 1 0 202.323 0.545 10 0 BCAERO CC/C=C\CC[N@@H+]1CCC[C@@](O)(C(N)=O)C1 ZINC000346587669 355002267 /nfs/dbraw/zinc/00/22/67/355002267.db2.gz MKRTVEANXQEQBQ-MVZIDQBPSA-N 1 0 226.320 0.655 10 0 BCAERO CC(C)S(=O)(=O)N1CC[C@](C)([NH3+])C1 ZINC000405833730 355329643 /nfs/dbraw/zinc/32/96/43/355329643.db2.gz STCDHMFRWLBVNJ-QMMMGPOBSA-N 1 0 206.311 0.148 10 0 BCAERO C[C@@H]1CN(C(=O)[C@@H]2CC23CCOCC3)C[C@H]1[NH3+] ZINC000583499209 355332585 /nfs/dbraw/zinc/33/25/85/355332585.db2.gz WICKRKAKMPCGOV-OUAUKWLOSA-N 1 0 238.331 0.609 10 0 BCAERO C[C@@H]1C[C@H](CNC(=O)[C@H]2CC[NH2+]C2)CCO1 ZINC000388981412 355386637 /nfs/dbraw/zinc/38/66/37/355386637.db2.gz OATUCAWQUJIJMX-MXWKQRLJSA-N 1 0 226.320 0.527 10 0 BCAERO N#Cc1cnccc1N[C@H]1CC[C@H](C[NH3+])C1 ZINC000399090515 355358529 /nfs/dbraw/zinc/35/85/29/355358529.db2.gz TUNVYRWNTXZZEY-ONGXEEELSA-N 1 0 216.288 0.914 10 0 BCAERO NC(=[NH2+])c1cc(F)ccc1CN1CCOCC1 ZINC000071267530 181194341 /nfs/dbraw/zinc/19/43/41/181194341.db2.gz YMNAEBASQWQTPB-UHFFFAOYSA-N 1 0 237.278 0.942 10 0 BCAERO NC(=[NH2+])c1c(F)cccc1N1CCOCC1 ZINC000062566038 181192882 /nfs/dbraw/zinc/19/28/82/181192882.db2.gz LURNSOTVWAGGJD-UHFFFAOYSA-N 1 0 223.251 0.946 10 0 BCAERO NC(=[NH2+])c1ccccc1N1CCC[C@@H]1CO ZINC000042432919 181196305 /nfs/dbraw/zinc/19/63/05/181196305.db2.gz FMTXSDSUPXWCGW-SECBINFHSA-N 1 0 219.288 0.932 10 0 BCAERO COC[C@@H]([NH3+])[C@H]1CCc2occc2C1=O ZINC000166481413 355529890 /nfs/dbraw/zinc/52/98/90/355529890.db2.gz VPSKUIZMZRHAAV-VXNVDRBHSA-N 1 0 209.245 0.998 10 0 BCAERO NC(=[NH2+])c1ccnc(OC[C@@H]2CCCO2)c1 ZINC000019439260 181197301 /nfs/dbraw/zinc/19/73/01/181197301.db2.gz OLODLMDMVYVHDM-VIFPVBQESA-N 1 0 221.260 0.923 10 0 BCAERO NC(=[NH2+])c1ncccc1I ZINC000071186655 181197681 /nfs/dbraw/zinc/19/76/81/181197681.db2.gz ZFYTXLBMHMQFLH-UHFFFAOYSA-N 1 0 247.039 0.970 10 0 BCAERO Oc1cccc(CN2CCO[C@@H]3C[NH2+]C[C@@H]32)c1 ZINC000415140650 191685713 /nfs/dbraw/zinc/68/57/13/191685713.db2.gz LDGYKDCRFSXEBQ-QWHCGFSZSA-N 1 0 234.299 0.565 10 0 BCAERO CC(C)n1nnnc1CN1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000583565448 355647888 /nfs/dbraw/zinc/64/78/88/355647888.db2.gz SZGOKSFZNHEKLJ-NXEZZACHSA-N 1 0 238.339 0.423 10 0 BCAERO OC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccncc1 ZINC000350230057 355653912 /nfs/dbraw/zinc/65/39/12/355653912.db2.gz WYYMFCFRTMZFHB-MNOVXSKESA-N 1 0 208.261 0.009 10 0 BCAERO NC(=S)N1CCN(Cc2ccccc2)C1=[NH2+] ZINC000039125078 181206494 /nfs/dbraw/zinc/20/64/94/181206494.db2.gz RNXWISUSHCUJNN-UHFFFAOYSA-N 1 0 234.328 0.983 10 0 BCAERO C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC(=O)N(C)C2)CS1 ZINC000639319618 355719517 /nfs/dbraw/zinc/71/95/17/355719517.db2.gz FRSMKNXXAJSPAM-KXUCPTDWSA-N 1 0 228.361 0.948 10 0 BCAERO C[C@@H]1C[C@@H]([NH2+]C[C@H]2CC(=O)N(C)C2)CS1 ZINC000639319619 355719885 /nfs/dbraw/zinc/71/98/85/355719885.db2.gz FRSMKNXXAJSPAM-OPRDCNLKSA-N 1 0 228.361 0.948 10 0 BCAERO CC[C@](C)(C[NH2+]C[C@H]1CC(=O)N(C)C1)OC ZINC000639319547 355719932 /nfs/dbraw/zinc/71/99/32/355719932.db2.gz DMBHWAZKVWLNAL-ZYHUDNBSSA-N 1 0 228.336 0.869 10 0 BCAERO COCC1(C[NH2+]C[C@@H]2CC(=O)N(C)C2)CCC1 ZINC000639320569 355721162 /nfs/dbraw/zinc/72/11/62/355721162.db2.gz KAMFQVDYSPNLEQ-NSHDSACASA-N 1 0 240.347 0.871 10 0 BCAERO CC[N@@H+]1CC[C@H](NC(=O)COC(C)C)C1 ZINC000389153468 355736698 /nfs/dbraw/zinc/73/66/98/355736698.db2.gz KBVSBAVXGWRGHX-JTQLQIEISA-N 1 0 214.309 0.622 10 0 BCAERO C[C@H]1CC/C(=C\CS(C)(=O)=O)C[NH2+]1 ZINC000399143261 355768219 /nfs/dbraw/zinc/76/82/19/355768219.db2.gz VQQLMSFNKUEAQU-MOIHINDBSA-N 1 0 203.307 0.729 10 0 BCAERO CC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)OC)C1 ZINC000389186703 355778280 /nfs/dbraw/zinc/77/82/80/355778280.db2.gz SJEVKGNKNASENG-SECBINFHSA-N 1 0 214.309 0.622 10 0 BCAERO COc1cc(C[NH2+][C@H]2CCOC[C@@H]2O)sn1 ZINC000639354112 355803479 /nfs/dbraw/zinc/80/34/79/355803479.db2.gz DGJMQLLYUMXWPQ-IUCAKERBSA-N 1 0 244.316 0.391 10 0 BCAERO COc1ncc(C[NH2+][C@@H]2CCOC[C@@H]2O)s1 ZINC000639354491 355804831 /nfs/dbraw/zinc/80/48/31/355804831.db2.gz IBGLPEFGIYWYTL-BDAKNGLRSA-N 1 0 244.316 0.391 10 0 BCAERO NC(=O)C1([NH2+]CC2CC2)CCSCC1 ZINC000041115509 181213522 /nfs/dbraw/zinc/21/35/22/181213522.db2.gz SBTGTNBAFOYHLK-UHFFFAOYSA-N 1 0 214.334 0.737 10 0 BCAERO NC(=O)C1CCC([NH2+][C@H]2CCCC[C@H]2O)CC1 ZINC000038091880 181216716 /nfs/dbraw/zinc/21/67/16/181216716.db2.gz HVSDGJHNMLRYJP-MMVSWEMESA-N 1 0 240.347 0.924 10 0 BCAERO NC(=O)C1([NH2+]C2CCCC2)CCOCC1 ZINC000037969105 181213949 /nfs/dbraw/zinc/21/39/49/181213949.db2.gz GWLAWOBNIXBAFP-UHFFFAOYSA-N 1 0 212.293 0.553 10 0 BCAERO c1nn[nH]c1C[NH2+][C@@H]1CO[C@H](C2CC2)C1 ZINC000628364100 355850969 /nfs/dbraw/zinc/85/09/69/355850969.db2.gz MCDVQGXTJIQEIF-WPRPVWTQSA-N 1 0 208.265 0.462 10 0 BCAERO [NH3+][C@@H]1CSC[C@H]1[C@@H]1CCS(=O)(=O)C1 ZINC000223390432 355854046 /nfs/dbraw/zinc/85/40/46/355854046.db2.gz AQERVOBYBNYGQS-GJMOJQLCSA-N 1 0 221.347 0.111 10 0 BCAERO NC(=O)C1CCC([NH2+]Cc2ncc[nH]2)CC1 ZINC000049715424 181216488 /nfs/dbraw/zinc/21/64/88/181216488.db2.gz RUICCRRNWPMTGC-UHFFFAOYSA-N 1 0 222.292 0.543 10 0 BCAERO C[C@H](O)[C@H](C)[N@H+](C)[C@@H]1CCCN(C)C1 ZINC000053247771 355869015 /nfs/dbraw/zinc/86/90/15/355869015.db2.gz GIOFXPBRIHXQSH-GARJFASQSA-N 1 0 200.326 0.782 10 0 BCAERO CC(C)N(CC(N)=O)C(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000055087616 191868380 /nfs/dbraw/zinc/86/83/80/191868380.db2.gz WQZSOHUJDXTIAG-ZJUUUORDSA-N 1 0 241.335 0.226 10 0 BCAERO NC(=O)C1CCC([NH2+]C[C@@H]2CCOC2)CC1 ZINC000037152685 181216086 /nfs/dbraw/zinc/21/60/86/181216086.db2.gz VUDMBTZEFNIWDJ-WHXUTIOJSA-N 1 0 226.320 0.657 10 0 BCAERO NC(=O)CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000098180075 181219018 /nfs/dbraw/zinc/21/90/18/181219018.db2.gz FYRBFNNGUJDPPI-UHFFFAOYSA-N 1 0 248.326 0.889 10 0 BCAERO NC(=O)CC1CCN([C@@H]2CCCC[C@H]2[NH3+])CC1 ZINC000042438607 181219646 /nfs/dbraw/zinc/21/96/46/181219646.db2.gz NSRVSEUKXSBQSG-VXGBXAGGSA-N 1 0 239.363 0.844 10 0 BCAERO NC(=O)C1CCC([NH2+]CCn2cccn2)CC1 ZINC000049314389 181216756 /nfs/dbraw/zinc/21/67/56/181216756.db2.gz PUMUGRXURZBVOI-UHFFFAOYSA-N 1 0 236.319 0.517 10 0 BCAERO NC(=O)CNCc1ccc2ccccc2n1 ZINC000020246351 181234964 /nfs/dbraw/zinc/23/49/64/181234964.db2.gz PHQUQHWNDLEVFZ-UHFFFAOYSA-N 1 0 215.256 0.810 10 0 BCAERO NC(=O)COc1ccc2c(c1)CCC[C@@H]2[NH3+] ZINC000044745049 181239111 /nfs/dbraw/zinc/23/91/11/181239111.db2.gz XIDOZVGGOLEOGX-NSHDSACASA-N 1 0 220.272 0.887 10 0 BCAERO NC(=O)CC[NH2+]C[C@H](O)COC1CCCCC1 ZINC000037891534 181225445 /nfs/dbraw/zinc/22/54/45/181225445.db2.gz YJZGKZMQPROCJI-JTQLQIEISA-N 1 0 244.335 0.162 10 0 BCAERO NC(=O)CCn1c(N)[nH+]c2ccc(F)c(F)c21 ZINC000053169918 181228258 /nfs/dbraw/zinc/22/82/58/181228258.db2.gz CXWOWTMGWDLPKW-UHFFFAOYSA-N 1 0 240.213 0.772 10 0 BCAERO NC(=O)CN(Cc1cccnc1)C1CC[NH2+]CC1 ZINC000037543247 181229219 /nfs/dbraw/zinc/22/92/19/181229219.db2.gz OYSLQCVCKGJIHC-UHFFFAOYSA-N 1 0 248.330 0.121 10 0 BCAERO NC(=O)CN(c1cc[nH+]cc1N)C1CCCC1 ZINC000042428133 181229241 /nfs/dbraw/zinc/22/92/41/181229241.db2.gz MFUGDXGADQEDQU-UHFFFAOYSA-N 1 0 234.303 0.898 10 0 BCAERO NC(=O)CN(C1CCCC1)C1CC[NH2+]CC1 ZINC000037470319 181229927 /nfs/dbraw/zinc/22/99/27/181229927.db2.gz VBYSUHIVEKFUSG-UHFFFAOYSA-N 1 0 225.336 0.468 10 0 BCAERO NC(=O)N1CCC([NH2+]Cc2nccs2)CC1 ZINC000041012797 181250979 /nfs/dbraw/zinc/25/09/79/181250979.db2.gz OTAJBYIRTONYMV-UHFFFAOYSA-N 1 0 240.332 0.776 10 0 BCAERO NC(=O)Cn1c(N)[nH+]c2cc(Cl)ccc21 ZINC000036889505 181248138 /nfs/dbraw/zinc/24/81/38/181248138.db2.gz IRTYRVBKDZRQKO-UHFFFAOYSA-N 1 0 224.651 0.757 10 0 BCAERO NC(=O)Cn1c(N)[nH+]c2cccc(Cl)c21 ZINC000036899007 181248288 /nfs/dbraw/zinc/24/82/88/181248288.db2.gz BKPOUZCCEUWNQN-UHFFFAOYSA-N 1 0 224.651 0.757 10 0 BCAERO CCN1CCN(c2cc(C)[nH+]c(NN)n2)CC1 ZINC000087897053 356225847 /nfs/dbraw/zinc/22/58/47/356225847.db2.gz WJMDHTVWYBKNGL-UHFFFAOYSA-N 1 0 236.323 0.213 10 0 BCAERO C[C@@H]1[C@@H]([NH3+])CCN1c1ncnc2[nH]ccc21 ZINC000420246374 192185983 /nfs/dbraw/zinc/18/59/83/192185983.db2.gz GEGHMEGGLUYEFZ-APPZFPTMSA-N 1 0 217.276 0.884 10 0 BCAERO O[C@H]1C[NH2+]C[C@@H]1CNc1ncccc1F ZINC000420253007 192188121 /nfs/dbraw/zinc/18/81/21/192188121.db2.gz PBSLGWLTCNHCTP-APPZFPTMSA-N 1 0 211.240 0.213 10 0 BCAERO NC(=O)[C@@H](c1cccc(F)c1)N1CC[NH2+]CC1 ZINC000037945597 181266474 /nfs/dbraw/zinc/26/64/74/181266474.db2.gz RWYYWDVGJPDXQC-LLVKDONJSA-N 1 0 237.278 0.257 10 0 BCAERO NC(=O)[C@@H](c1ccc(O)cc1)N1CCC[NH2+]CC1 ZINC000037943860 181266669 /nfs/dbraw/zinc/26/66/69/181266669.db2.gz UXZHNYANNCCQOB-GFCCVEGCSA-N 1 0 249.314 0.214 10 0 BCAERO NC(=O)[C@@H]1CCCN1c1cc[nH+]cc1N ZINC000020370470 181270952 /nfs/dbraw/zinc/27/09/52/181270952.db2.gz FNFJYCVOCLPGFI-VIFPVBQESA-N 1 0 206.249 0.118 10 0 BCAERO CC(C)(C)OC(=O)NC[C@@H]1C[NH2+]CC[C@@H]1O ZINC000138115966 356426381 /nfs/dbraw/zinc/42/63/81/356426381.db2.gz HVCNIHPVOLFYQV-IUCAKERBSA-N 1 0 230.308 0.482 10 0 BCAERO Cn1cc(CC(=O)C2([NH3+])CCCC2)cn1 ZINC000168603831 356454492 /nfs/dbraw/zinc/45/44/92/356454492.db2.gz BLDRHMUQYRZCSJ-UHFFFAOYSA-N 1 0 207.277 0.803 10 0 BCAERO NC(=O)[C@@]1([NH2+]CC2CC2)CCSC1 ZINC000037947048 181276467 /nfs/dbraw/zinc/27/64/67/181276467.db2.gz NQUATPVRMOGHER-SECBINFHSA-N 1 0 200.307 0.347 10 0 BCAERO NC(=O)[C@H]1CCCN(C[C@H]2CCCC[NH2+]2)C1 ZINC000043493873 181281278 /nfs/dbraw/zinc/28/12/78/181281278.db2.gz LXYPQRVENGFMSK-WDEREUQCSA-N 1 0 225.336 0.326 10 0 BCAERO NC(=O)[C@H]1CCCCN1C1CC[NH2+]CC1 ZINC000043501185 181279687 /nfs/dbraw/zinc/27/96/87/181279687.db2.gz HVEZOBMKTTZYDF-SNVBAGLBSA-N 1 0 211.309 0.078 10 0 BCAERO NC(=O)[C@H]1CCCCN1C[C@@H]1CCCC[NH2+]1 ZINC000043493960 181279814 /nfs/dbraw/zinc/27/98/14/181279814.db2.gz FRPOXTZCTLRNBM-WDEREUQCSA-N 1 0 225.336 0.468 10 0 BCAERO NC(=O)[C@H]([NH2+]C1CCCCC1)[C@H]1CCOC1 ZINC000037969689 181278041 /nfs/dbraw/zinc/27/80/41/181278041.db2.gz OBWVCUFYJFDARS-GXSJLCMTSA-N 1 0 226.320 0.799 10 0 BCAERO NC(=O)[C@]1([NH2+]C2CC2)CCCSC1 ZINC000061590446 181284545 /nfs/dbraw/zinc/28/45/45/181284545.db2.gz XNAUCEQFVZJFBZ-VIFPVBQESA-N 1 0 200.307 0.490 10 0 BCAERO NC(=O)[C@]1([NH2+]C[C@H]2CCCO2)CCSC1 ZINC000037942914 181284704 /nfs/dbraw/zinc/28/47/04/181284704.db2.gz PTQWLPWYNBAOOD-SCZZXKLOSA-N 1 0 230.333 0.116 10 0 BCAERO NC(=O)[C@]1(O)CCC[N@@H+]([C@@H]2C=CCCC2)C1 ZINC000286314164 181285351 /nfs/dbraw/zinc/28/53/51/181285351.db2.gz VNSXPJUWRPPJJC-PWSUYJOCSA-N 1 0 224.304 0.407 10 0 BCAERO C[C@@H]1C[C@H](C(=O)N2C[C@H](C)[C@H](C[NH3+])C2)[C@@H](C)O1 ZINC000630090811 363492149 /nfs/dbraw/zinc/49/21/49/363492149.db2.gz DFFMHADODAJEFJ-KQSJRHEJSA-N 1 0 240.347 0.853 10 0 BCAERO C[C@]1(C[NH3+])CN(C(=O)C2CCCC2)CCO1 ZINC000675058923 538481949 /nfs/dbraw/zinc/48/19/49/538481949.db2.gz CAVKRCCSNRUFEA-LBPRGKRZSA-N 1 0 226.320 0.753 10 0 BCAERO CC[C@@]1(CNC(=O)C2CC2)C[NH2+]CCO1 ZINC000675058919 538482271 /nfs/dbraw/zinc/48/22/71/538482271.db2.gz BQEZUQUKVMJDOK-NSHDSACASA-N 1 0 212.293 0.281 10 0 BCAERO CCN1C(=O)CC[C@@H](C[NH3+])[C@@H]1c1nccn1C ZINC000675058771 538482527 /nfs/dbraw/zinc/48/25/27/538482527.db2.gz XGLBNUGUBPMKPB-GXSJLCMTSA-N 1 0 236.319 0.678 10 0 BCAERO CC(C)[C@H](C)NC(=O)N1CCO[C@@](C)(C[NH3+])C1 ZINC000675059287 538483204 /nfs/dbraw/zinc/48/32/04/538483204.db2.gz MRGWOVGOYIOVBD-JQWIXIFHSA-N 1 0 243.351 0.790 10 0 BCAERO CCOc1cc(C[NH2+]C[C@@H](O)CO)ccc1O ZINC000083369249 538475677 /nfs/dbraw/zinc/47/56/77/538475677.db2.gz FWXKWSXGVOKHJG-SNVBAGLBSA-N 1 0 241.287 0.234 10 0 BCAERO O=C(CC1CC1)N1CCC(OC2C[NH2+]C2)CC1 ZINC000675055414 538475768 /nfs/dbraw/zinc/47/57/68/538475768.db2.gz SKBCGODILWGUOU-UHFFFAOYSA-N 1 0 238.331 0.766 10 0 BCAERO CC(C)S(=O)(=O)N1CC[C@@H]2CC[NH2+]C[C@@H]21 ZINC000675056078 538477942 /nfs/dbraw/zinc/47/79/42/538477942.db2.gz BBMGFFCOWDWWMA-UWVGGRQHSA-N 1 0 232.349 0.408 10 0 BCAERO CC(C)(C)C(=O)N(C1C[NH2+]C1)C1COC1 ZINC000675056425 538478430 /nfs/dbraw/zinc/47/84/30/538478430.db2.gz PVEQCTGMPPNDAP-UHFFFAOYSA-N 1 0 212.293 0.232 10 0 BCAERO C[NH2+]C1CCC2(CS(=O)(=O)C2)CC1 ZINC000675056820 538478896 /nfs/dbraw/zinc/47/88/96/538478896.db2.gz PTFGUWJIMSSYMN-UHFFFAOYSA-N 1 0 203.307 0.563 10 0 BCAERO CCNC(=O)NC[C@@H]1C[C@@H]2C[C@H]([NH3+])[C@@H]2C1 ZINC000675068705 538496861 /nfs/dbraw/zinc/49/68/61/538496861.db2.gz DJPCPHJMZRLEHM-KYXWUPHJSA-N 1 0 211.309 0.679 10 0 BCAERO CC[C@@]1(CNC(=O)NC(C)(C)C)C[NH2+]CCO1 ZINC000675059931 538484835 /nfs/dbraw/zinc/48/48/35/538484835.db2.gz YIXHPDOFJFTCOQ-LBPRGKRZSA-N 1 0 243.351 0.853 10 0 BCAERO CC[C@]1(CNC(=O)NC(C)(C)C)C[NH2+]CCO1 ZINC000675059930 538485188 /nfs/dbraw/zinc/48/51/88/538485188.db2.gz YIXHPDOFJFTCOQ-GFCCVEGCSA-N 1 0 243.351 0.853 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]([C@@H]2CCS(=O)(=O)C2)C1 ZINC000675060298 538485873 /nfs/dbraw/zinc/48/58/73/538485873.db2.gz VRYGOMOCLMOLKO-IVZWLZJFSA-N 1 0 217.334 0.667 10 0 BCAERO COC[C@H](O)CN(C)c1cc[nH+]c(C)c1 ZINC000167623769 134153114 /nfs/dbraw/zinc/15/31/14/134153114.db2.gz IBLZBLZFPROTAQ-LLVKDONJSA-N 1 0 210.277 0.834 10 0 BCAERO CC[C@]1(C[NH3+])CN(C(=O)NC(C)C)CCO1 ZINC000675059869 538486278 /nfs/dbraw/zinc/48/62/78/538486278.db2.gz WVKDZAMHRJOGMN-NSHDSACASA-N 1 0 229.324 0.544 10 0 BCAERO Cn1ccn2c(nnc2[C@@H]([NH3+])C(C)(C)C)c1=O ZINC000675060977 538486766 /nfs/dbraw/zinc/48/67/66/538486766.db2.gz TWECHXQJWLWRDX-SSDOTTSWSA-N 1 0 235.291 0.474 10 0 BCAERO CSCCNC(=O)[C@H]1CCC[NH2+][C@H]1C ZINC000384441883 356655799 /nfs/dbraw/zinc/65/57/99/356655799.db2.gz YWZIKDVDWVDZNK-IUCAKERBSA-N 1 0 216.350 0.854 10 0 BCAERO [NH3+][C@@H]1C[C@@H]2C[C@H](CNC(=O)C3CC3)C[C@@H]12 ZINC000675069852 538499371 /nfs/dbraw/zinc/49/93/71/538499371.db2.gz IUGNHKZNCRXVRP-CPOMMVLXSA-N 1 0 208.305 0.886 10 0 BCAERO CC(C)c1nn(C)cc1[C@@H]1C[NH2+]CCN1 ZINC000675069991 538500049 /nfs/dbraw/zinc/50/00/49/538500049.db2.gz KJASCMYAJQRXHC-JTQLQIEISA-N 1 0 208.309 0.777 10 0 BCAERO CCCS(=O)(=O)N1CCC[C@H]2C[C@]21C[NH3+] ZINC000675070013 538500163 /nfs/dbraw/zinc/50/01/63/538500163.db2.gz KNBRCKRQKVWCAR-UWVGGRQHSA-N 1 0 232.349 0.539 10 0 BCAERO CC(C)NC(=O)NC[C@]12C[C@H]1CCC[NH2+]2 ZINC000675070845 538501074 /nfs/dbraw/zinc/50/10/74/538501074.db2.gz TZAXTBBZRYFFTM-MWLCHTKSSA-N 1 0 211.309 0.836 10 0 BCAERO COCCNC(=O)N[C@@H]1C[C@@H]2C[C@H](C[NH3+])C[C@H]12 ZINC000675070814 538501154 /nfs/dbraw/zinc/50/11/54/538501154.db2.gz SUNFUHZTLGPQGX-XWLWVQCSSA-N 1 0 241.335 0.305 10 0 BCAERO COCC(=O)NC[C@@H]1C[C@@H]2C[C@@H]([NH3+])[C@H]2C1 ZINC000675070596 538501173 /nfs/dbraw/zinc/50/11/73/538501173.db2.gz PTQCQVYXLJVXCD-DOLQZWNJSA-N 1 0 212.293 0.122 10 0 BCAERO COCCC(=O)NC[C@@H]1C[C@@H]2C[C@H]([NH3+])[C@@H]2C1 ZINC000675070668 538501183 /nfs/dbraw/zinc/50/11/83/538501183.db2.gz RFEYMOYGDAFIDW-DBIOUOCHSA-N 1 0 226.320 0.513 10 0 BCAERO CC(C)S(=O)(=O)NC[C@]12C[C@H]1CCC[NH2+]2 ZINC000675071230 538501809 /nfs/dbraw/zinc/50/18/09/538501809.db2.gz YSUFEHMPLSUCMO-NXEZZACHSA-N 1 0 232.349 0.456 10 0 BCAERO CC(C)C(=O)N(C1C[NH2+]C1)[C@H]1CCOC1 ZINC000675071235 538501819 /nfs/dbraw/zinc/50/18/19/538501819.db2.gz YTYPNYXDTAHMJX-VIFPVBQESA-N 1 0 212.293 0.232 10 0 BCAERO CCCNC(=O)NC[C@@]12C[C@@H]1CCC[NH2+]2 ZINC000675071224 538502286 /nfs/dbraw/zinc/50/22/86/538502286.db2.gz YODMLRHCRJFPPN-ONGXEEELSA-N 1 0 211.309 0.838 10 0 BCAERO Cn1ncc(Cl)c1C1=C[C@H](O)C[NH2+]C1 ZINC000675076373 538511418 /nfs/dbraw/zinc/51/14/18/538511418.db2.gz BUAVYURCQPSTBH-ZETCQYMHSA-N 1 0 213.668 0.421 10 0 BCAERO Cc1nc(CC2=C[C@H](N)C[NH2+]C2)cs1 ZINC000675076314 538511426 /nfs/dbraw/zinc/51/14/26/538511426.db2.gz AXOJHYHLKPZYAX-VIFPVBQESA-N 1 0 209.318 0.851 10 0 BCAERO COC(=O)[C@@](O)(C[NH2+]C1CCC1)C(F)(F)F ZINC000675072333 538502713 /nfs/dbraw/zinc/50/27/13/538502713.db2.gz BKNVXNKDCKFZQC-QMMMGPOBSA-N 1 0 241.209 0.595 10 0 BCAERO CCCS(=O)(=O)NC[C@@H]1C[C@@H]2C[C@H]([NH3+])[C@H]2C1 ZINC000675072555 538503352 /nfs/dbraw/zinc/50/33/52/538503352.db2.gz FFQIHCSGERBBPQ-ZNSHCXBVSA-N 1 0 246.376 0.689 10 0 BCAERO CCCS(=O)(=O)NC[C@@H]1C[C@@H]2C[C@H]([NH3+])[C@@H]2C1 ZINC000675072553 538503556 /nfs/dbraw/zinc/50/35/56/538503556.db2.gz FFQIHCSGERBBPQ-DBIOUOCHSA-N 1 0 246.376 0.689 10 0 BCAERO Cc1cc(=O)[nH]c(N2CC[NH2+][C@@H](C)C2)n1 ZINC000675072972 538504053 /nfs/dbraw/zinc/50/40/53/538504053.db2.gz FOFJYUCJVIUPEL-QMMMGPOBSA-N 1 0 208.265 0.289 10 0 BCAERO CCC[NH2+]C[C@](O)(C(=O)OC)C(F)(F)F ZINC000675073331 538505094 /nfs/dbraw/zinc/50/50/94/538505094.db2.gz MUPSWRPHMBHTLH-ZETCQYMHSA-N 1 0 229.198 0.452 10 0 BCAERO CCOC(=O)N1CCC(O)(CC[NH3+])CC1 ZINC000675073193 538505299 /nfs/dbraw/zinc/50/52/99/538505299.db2.gz ULEXSMPSYSMKJF-UHFFFAOYSA-N 1 0 216.281 0.319 10 0 BCAERO CS(=O)(=O)NC1(CCC[NH3+])CCCCC1 ZINC000675073461 538505598 /nfs/dbraw/zinc/50/55/98/538505598.db2.gz JBXURBPWNHXMSJ-UHFFFAOYSA-N 1 0 234.365 0.977 10 0 BCAERO COC(=O)c1cc(NC2=[NH+]CCN2)ccc1F ZINC000675073454 538506058 /nfs/dbraw/zinc/50/60/58/538506058.db2.gz YDNXQLRRZCFGQE-UHFFFAOYSA-N 1 0 237.234 0.983 10 0 BCAERO Cn1ncc(NC[C@@H]2CCC[NH2+]2)c(Cl)c1=O ZINC000167902583 134154451 /nfs/dbraw/zinc/15/44/51/134154451.db2.gz ORGDETPZKVJWGH-ZETCQYMHSA-N 1 0 242.710 0.598 10 0 BCAERO Cn1ncc(NC[C@@H]([NH3+])C2CC2)c(Cl)c1=O ZINC000167925029 134154841 /nfs/dbraw/zinc/15/48/41/134154841.db2.gz IOIBJATWEPQSSN-SSDOTTSWSA-N 1 0 242.710 0.583 10 0 BCAERO O[C@H]1C=C(c2cnc(C3CC3)o2)C[NH2+]C1 ZINC000675076534 538510954 /nfs/dbraw/zinc/51/09/54/538510954.db2.gz CUKPEOZTBLZFDV-VIFPVBQESA-N 1 0 206.245 0.900 10 0 BCAERO COc1cccc(C[C@H]2[NH2+]CCCNC2=O)c1 ZINC000675068960 538497550 /nfs/dbraw/zinc/49/75/50/538497550.db2.gz UNPJYBDBKZLHSP-GFCCVEGCSA-N 1 0 234.299 0.716 10 0 BCAERO Cc1cc(CC2=C[C@H](N)C[NH2+]C2)n(C)n1 ZINC000675077607 538513219 /nfs/dbraw/zinc/51/32/19/538513219.db2.gz OWAITYYFYKNFQJ-JTQLQIEISA-N 1 0 206.293 0.128 10 0 BCAERO CC(C)n1nccc1C1=C[C@H](O)C[NH2+]C1 ZINC000675077451 538513856 /nfs/dbraw/zinc/51/38/56/538513856.db2.gz MSUWFZBRKZLPDH-JTQLQIEISA-N 1 0 207.277 0.812 10 0 BCAERO Cc1cnc(CC2=C[C@H](O)C[NH2+]C2)s1 ZINC000675077652 538514282 /nfs/dbraw/zinc/51/42/82/538514282.db2.gz PNHUSJXKJKDWGZ-VIFPVBQESA-N 1 0 210.302 0.885 10 0 BCAERO Cc1ncc(CC2=C[C@@H](N)C[NH2+]C2)s1 ZINC000675078141 538515147 /nfs/dbraw/zinc/51/51/47/538515147.db2.gz MXXUCBRPRFPEPP-SECBINFHSA-N 1 0 209.318 0.851 10 0 BCAERO CCCn1nncc1C1=C[C@@H](O)C[NH2+]C1 ZINC000675078389 538515485 /nfs/dbraw/zinc/51/54/85/538515485.db2.gz XUMWBTBNTLBOIV-SECBINFHSA-N 1 0 208.265 0.036 10 0 BCAERO CC(C)n1ncnc1C1=C[C@H]([NH3+])CNC1 ZINC000675078725 538515806 /nfs/dbraw/zinc/51/58/06/538515806.db2.gz RRBDAUWUBRBGIQ-VIFPVBQESA-N 1 0 207.281 0.173 10 0 BCAERO Cc1cn(C)nc1CC1=C[C@@H](N)C[NH2+]C1 ZINC000675078837 538515977 /nfs/dbraw/zinc/51/59/77/538515977.db2.gz UQUDPNHSEOGJQO-SNVBAGLBSA-N 1 0 206.293 0.128 10 0 BCAERO CC1=C(C)C[C@H](S(N)(=O)=O)[C@H](C[NH+](C)C)C1 ZINC000675078939 538517467 /nfs/dbraw/zinc/51/74/67/538517467.db2.gz NUMIJELLLBMNNB-QWRGUYRKSA-N 1 0 246.376 0.952 10 0 BCAERO C[N@H+](C1CC1)[C@H]1C[C@H]([NH3+])C12CCOCC2 ZINC000675078943 538517578 /nfs/dbraw/zinc/51/75/78/538517578.db2.gz CJGLBNSZJQKDCB-QWRGUYRKSA-N 1 0 210.321 0.977 10 0 BCAERO Cc1cc(CC2=C[C@@H](O)C[NH2+]C2)nn1C ZINC000675077569 538511932 /nfs/dbraw/zinc/51/19/32/538511932.db2.gz OKDNXYXJMVIAGM-LLVKDONJSA-N 1 0 207.277 0.162 10 0 BCAERO O[C@@H]1C=C(CCc2ccns2)C[NH2+]C1 ZINC000675076981 538512062 /nfs/dbraw/zinc/51/20/62/538512062.db2.gz IBJMLWGOPGBAIH-SECBINFHSA-N 1 0 210.302 0.966 10 0 BCAERO Cc1ccnc(N)c1C1=C[C@H](O)C[NH2+]C1 ZINC000675077302 538512762 /nfs/dbraw/zinc/51/27/62/538512762.db2.gz KYZRFRQTVIZHMH-VIFPVBQESA-N 1 0 205.261 0.320 10 0 BCAERO CCn1cc(CC2=C[C@@H](O)C[NH2+]C2)cn1 ZINC000675077340 538512802 /nfs/dbraw/zinc/51/28/02/538512802.db2.gz LJXAWYXOYFBYQY-LLVKDONJSA-N 1 0 207.277 0.336 10 0 BCAERO COc1ccncc1C1=C[C@H]([NH3+])CNC1 ZINC000675077237 538512827 /nfs/dbraw/zinc/51/28/27/538512827.db2.gz BIDKDCHTSQYHMF-VIFPVBQESA-N 1 0 205.261 0.404 10 0 BCAERO COc1nscc1CC1=C[C@@H](O)C[NH2+]C1 ZINC000675077134 538512854 /nfs/dbraw/zinc/51/28/54/538512854.db2.gz JOAQBIBECKRYII-SECBINFHSA-N 1 0 226.301 0.585 10 0 BCAERO Cc1cc(C[NH2+]C[C@@H](O)CO)cc(C)c1O ZINC000085246709 538539378 /nfs/dbraw/zinc/53/93/78/538539378.db2.gz ZLJBRIKMBAHJDO-LLVKDONJSA-N 1 0 225.288 0.452 10 0 BCAERO Cc1ccn([C@H]2CC[C@]([NH3+])(C(N)=O)C2)n1 ZINC000086627191 538559334 /nfs/dbraw/zinc/55/93/34/538559334.db2.gz WSLYUEJQAPEBOX-WCBMZHEXSA-N 1 0 208.265 0.099 10 0 BCAERO CCCS(=O)(=O)NC[C@H]1CC[NH2+]C[C@@H]1C ZINC000129823615 538577415 /nfs/dbraw/zinc/57/74/15/538577415.db2.gz WNANQHNAFWZEJK-VHSXEESVSA-N 1 0 234.365 0.561 10 0 BCAERO C[C@H]1COC[C@H](CC(=O)C(F)(F)F)[NH2+]1 ZINC000130344079 538587494 /nfs/dbraw/zinc/58/74/94/538587494.db2.gz QGOVQIDFQJCVIX-WDSKDSINSA-N 1 0 211.183 0.885 10 0 BCAERO COC(OC)C(=O)C[C@@H]1C[C@H](C)CC[NH2+]1 ZINC000130352388 538588567 /nfs/dbraw/zinc/58/85/67/538588567.db2.gz ULBLJIXQHNGGFH-BDAKNGLRSA-N 1 0 215.293 0.953 10 0 BCAERO CCCCS(=O)(=O)N1CC2(C1)CC[NH2+]C2 ZINC000222856453 538589841 /nfs/dbraw/zinc/58/98/41/538589841.db2.gz QBWNYRVLPJZKHJ-UHFFFAOYSA-N 1 0 232.349 0.412 10 0 BCAERO CC1(C)C[NH+](CC[C@H](N)C(N)=O)CC(C)(C)O1 ZINC000226441975 538609037 /nfs/dbraw/zinc/60/90/37/538609037.db2.gz LITQQZXHVLRQIP-VIFPVBQESA-N 1 0 243.351 0.079 10 0 BCAERO CNC(=O)CCC[N@@H+]1CCC[C@H](O)[C@H]1C ZINC000384870026 356789220 /nfs/dbraw/zinc/78/92/20/356789220.db2.gz OPFYVCSEASYNSR-ZJUUUORDSA-N 1 0 214.309 0.358 10 0 BCAERO COCCC(=O)NC[C@H]1CC[C@H]([NH3+])C1 ZINC000227577396 538696406 /nfs/dbraw/zinc/69/64/06/538696406.db2.gz DWOXZZZJGOLVSK-IUCAKERBSA-N 1 0 200.282 0.267 10 0 BCAERO CCS(=O)(=O)NC[C@@H]1CC[C@@H]([NH3+])C1 ZINC000227627853 538699689 /nfs/dbraw/zinc/69/96/89/538699689.db2.gz QFRUBGBWXHXDIU-HTQZYQBOSA-N 1 0 206.311 0.053 10 0 BCAERO C[C@H]([NH3+])C(=O)Nc1sccc1C(N)=O ZINC000040419674 356890957 /nfs/dbraw/zinc/89/09/57/356890957.db2.gz YIDIUPJMBOMRJT-BYPYZUCNSA-N 1 0 213.262 0.133 10 0 BCAERO NC(=O)c1cc(F)ccc1OC[C@H]1CC[NH2+]C1 ZINC000104232106 181289921 /nfs/dbraw/zinc/28/99/21/181289921.db2.gz SMJNHTQUXKWXNB-QMMMGPOBSA-N 1 0 238.262 0.913 10 0 BCAERO c1ncn(CC[NH2+]CC[C@@H]2CCOC2)n1 ZINC000389701390 357016461 /nfs/dbraw/zinc/01/64/61/357016461.db2.gz JVMUIPCOMNJWDE-SNVBAGLBSA-N 1 0 210.281 0.294 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)NC[C@H]2C[NH2+]CCCO2)O1 ZINC000390030978 357084645 /nfs/dbraw/zinc/08/46/45/357084645.db2.gz YSSFKGZQAYBZTG-GMTAPVOTSA-N 1 0 242.319 0.049 10 0 BCAERO C[C@@H]1COC[C@H](C)N1C(=O)C[NH2+]C1CC1 ZINC000390771388 357115774 /nfs/dbraw/zinc/11/57/74/357115774.db2.gz WGPKQMAJZKYNOM-DTORHVGOSA-N 1 0 212.293 0.374 10 0 BCAERO CCS(=O)(=O)N1CCC[C@@]1(C)C[NH3+] ZINC000259022119 538806788 /nfs/dbraw/zinc/80/67/88/538806788.db2.gz DTDOYKZHXATFLZ-QMMMGPOBSA-N 1 0 206.311 0.149 10 0 BCAERO NC(=O)[C@H]([NH3+])Cc1ccc(Br)cn1 ZINC000160605748 357123733 /nfs/dbraw/zinc/12/37/33/357123733.db2.gz ZBEMRCCXOAEMDQ-SSDOTTSWSA-N 1 0 244.092 0.199 10 0 BCAERO COCCC(=O)NC[C@]1(C)CCC[NH2+]1 ZINC000157195130 538813024 /nfs/dbraw/zinc/81/30/24/538813024.db2.gz NESSKJQLMZDNQY-JTQLQIEISA-N 1 0 200.282 0.281 10 0 BCAERO Nc1ncccc1C(=O)C[C@H]1CCC[NH2+]1 ZINC000168751110 357211274 /nfs/dbraw/zinc/21/12/74/357211274.db2.gz OHUOJQLXFGTCKC-MRVPVSSYSA-N 1 0 205.261 0.989 10 0 BCAERO COCCCC(=O)N1CC[C@H]2OCC[NH2+][C@@H]2C1 ZINC000404011919 357212890 /nfs/dbraw/zinc/21/28/90/357212890.db2.gz QCKFMVDERLGCLL-GHMZBOCLSA-N 1 0 242.319 0.002 10 0 BCAERO CC(C)S(=O)(=O)NC[C@]1(C)CCC[NH2+]1 ZINC000157170512 538810984 /nfs/dbraw/zinc/81/09/84/538810984.db2.gz FBWOKGDIHIQFOX-VIFPVBQESA-N 1 0 220.338 0.456 10 0 BCAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]Cc1ccc(CO)o1 ZINC000392880833 357261450 /nfs/dbraw/zinc/26/14/50/357261450.db2.gz VDUSEKMWYILYCC-GZMMTYOYSA-N 1 0 238.287 0.529 10 0 BCAERO CC[C@@H](Cn1cncn1)[NH2+][C@@H]1CCO[C@@H]1C ZINC000393187622 357278351 /nfs/dbraw/zinc/27/83/51/357278351.db2.gz QKXKBLRDXMOXBL-OUAUKWLOSA-N 1 0 224.308 0.824 10 0 BCAERO CCOC(=O)c1cnn2c1C[C@@H]([NH3+])CC2 ZINC000259832565 538830005 /nfs/dbraw/zinc/83/00/05/538830005.db2.gz OMVLURLQPVQSMG-ZETCQYMHSA-N 1 0 209.249 0.333 10 0 BCAERO C[C@@H](Nc1ccc2nccnc2n1)[C@H](C)[NH3+] ZINC000394498928 357362664 /nfs/dbraw/zinc/36/26/64/357362664.db2.gz KURHRPYDXVPYRU-JGVFFNPUSA-N 1 0 217.276 0.546 10 0 BCAERO NC(=O)c1cc(N[C@H]2CC[N@@H+]3CCC[C@H]23)ccn1 ZINC000049569061 181291255 /nfs/dbraw/zinc/29/12/55/181291255.db2.gz LTURPHNKKDGHNH-CMPLNLGQSA-N 1 0 246.314 0.829 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)O1 ZINC000395345135 357426403 /nfs/dbraw/zinc/42/64/03/357426403.db2.gz ANLGOLNEXWOXPU-CHWFTXMASA-N 1 0 224.304 0.374 10 0 BCAERO Cc1cnn(C)c1C[NH2+]CC1CC(O)C1 ZINC000394816034 357380864 /nfs/dbraw/zinc/38/08/64/357380864.db2.gz ZZVDSYJUDJJHKH-UHFFFAOYSA-N 1 0 209.293 0.589 10 0 BCAERO CC(C)([NH3+])CC(=O)N[C@@H]1CCC[C@@H](O)C1 ZINC000082771937 491112485 /nfs/dbraw/zinc/11/24/85/491112485.db2.gz HKWOCWMMQFCSCC-RKDXNWHRSA-N 1 0 214.309 0.534 10 0 BCAERO NC(=O)c1cc(OC[C@@H]2CCC[NH2+]C2)ccn1 ZINC000051883025 181292064 /nfs/dbraw/zinc/29/20/64/181292064.db2.gz GLTKUOZCEVJMRZ-SECBINFHSA-N 1 0 235.287 0.559 10 0 BCAERO CC[C@@](C)(O)C[N@@H+]1CCO[C@H](COC)C1 ZINC000189045336 357602148 /nfs/dbraw/zinc/60/21/48/357602148.db2.gz HWQPAQZZIMDACA-WDEREUQCSA-N 1 0 217.309 0.495 10 0 BCAERO CC(C)NC(=O)N1CC[C@H]([NH3+])[C@@H](F)C1 ZINC000685946619 538885879 /nfs/dbraw/zinc/88/58/79/538885879.db2.gz UGZDQEACQADXNI-YUMQZZPRSA-N 1 0 203.261 0.476 10 0 BCAERO CC[C@@]1([NH3+])CCCN(C(=O)COC)C1 ZINC000685946597 538885943 /nfs/dbraw/zinc/88/59/43/538885943.db2.gz CSTBRBNOAQMYGS-SNVBAGLBSA-N 1 0 200.282 0.363 10 0 BCAERO CC(C)CNC(=O)N1CC[C@@H]([NH3+])[C@H](F)C1 ZINC000685945798 538886849 /nfs/dbraw/zinc/88/68/49/538886849.db2.gz BEPCDEKUKAXUNB-RKDXNWHRSA-N 1 0 217.288 0.723 10 0 BCAERO CC(C)S(=O)(=O)NC[C@@]12CC[C@H]1CC[NH2+]2 ZINC000685945981 538887607 /nfs/dbraw/zinc/88/76/07/538887607.db2.gz AUBZXXLPYBAISC-UWVGGRQHSA-N 1 0 232.349 0.456 10 0 BCAERO [NH3+]C[C@@H](C(=O)[O-])C1CC[NH+](C2CC2)CC1 ZINC000685946451 538887882 /nfs/dbraw/zinc/88/78/82/538887882.db2.gz KVXQOXQRFOGZHY-SNVBAGLBSA-N 1 0 212.293 0.520 10 0 BCAERO CC(C)(C)C(=O)N[C@@H]1CC[NH2+]C[C@@H]1F ZINC000685946309 538888013 /nfs/dbraw/zinc/88/80/13/538888013.db2.gz NVIDKQKRPSILSE-JGVFFNPUSA-N 1 0 202.273 0.849 10 0 BCAERO COCC(=O)NC1(C)CCC([NH3+])CC1 ZINC000685947274 538888530 /nfs/dbraw/zinc/88/85/30/538888530.db2.gz IEXIHPIOIPUZON-UHFFFAOYSA-N 1 0 200.282 0.409 10 0 BCAERO CCS(=O)(=O)NC[C@@]12CC[C@H]1CC[NH2+]2 ZINC000685947467 538889335 /nfs/dbraw/zinc/88/93/35/538889335.db2.gz WCWHYUZATDWEBD-IUCAKERBSA-N 1 0 218.322 0.068 10 0 BCAERO COCCNC(=O)NC1CCC(C)([NH3+])CC1 ZINC000685947459 538889354 /nfs/dbraw/zinc/88/93/54/538889354.db2.gz KPPPZLIHVCMDMV-UHFFFAOYSA-N 1 0 229.324 0.592 10 0 BCAERO COCCC(=O)N1CCC[C@@]1(C)C[NH3+] ZINC000685947677 538889619 /nfs/dbraw/zinc/88/96/19/538889619.db2.gz NRCPHPGXDAFMJG-JTQLQIEISA-N 1 0 200.282 0.363 10 0 BCAERO CS(=O)(=O)N[C@@H]1CCCC12CC[NH2+]CC2 ZINC000685947699 538889787 /nfs/dbraw/zinc/88/97/87/538889787.db2.gz QKLNNDLRZCYRKM-SECBINFHSA-N 1 0 232.349 0.458 10 0 BCAERO CC(C)C(=O)N1CC2(C[NH2+]C2)C(F)(F)C1 ZINC000685949268 538892452 /nfs/dbraw/zinc/89/24/52/538892452.db2.gz NTUYTXZENRUGDA-UHFFFAOYSA-N 1 0 218.247 0.710 10 0 BCAERO CC[NH2+]C[C@@H]1Cn2c(nnc2C2CC2)CN1 ZINC000685950006 538893282 /nfs/dbraw/zinc/89/32/82/538893282.db2.gz YKHBGHSVGIWFCI-SECBINFHSA-N 1 0 221.308 0.237 10 0 BCAERO CC(C)[C@@H](C)NC(=O)NC[C@]1(O)CC[NH2+]C1 ZINC000685950705 538894001 /nfs/dbraw/zinc/89/40/01/538894001.db2.gz WFGCYWGEMRXXMH-KOLCDFICSA-N 1 0 229.324 0.055 10 0 BCAERO O=Cc1ccc(-c2cnnn2C2C[NH2+]C2)s1 ZINC000685951642 538895359 /nfs/dbraw/zinc/89/53/59/538895359.db2.gz DMBWDPVOJBIBCT-UHFFFAOYSA-N 1 0 234.284 0.963 10 0 BCAERO c1ncc(-c2cnnn2[C@H]2CC[NH2+]C2)s1 ZINC000685951689 538895453 /nfs/dbraw/zinc/89/54/53/538895453.db2.gz FSIAZCHATOIQBE-ZETCQYMHSA-N 1 0 221.289 0.936 10 0 BCAERO C[C@H]1C[NH2+]C[C@H](C)C1N1CCOC[C@@H]1C ZINC000685951428 538895593 /nfs/dbraw/zinc/89/55/93/538895593.db2.gz UHFROZQLOFAVNB-DCAQKATOSA-N 1 0 212.337 0.951 10 0 BCAERO C[C@@]1(C(=O)NCc2ccno2)CCCC[NH2+]1 ZINC000231892504 357638068 /nfs/dbraw/zinc/63/80/68/357638068.db2.gz ZRZMSUYSCYMGRI-NSHDSACASA-N 1 0 223.276 0.823 10 0 BCAERO CCc1nn(C)cc1C(=O)N1C[C@H]([NH3+])[C@@H](C)C1 ZINC000234160411 357775481 /nfs/dbraw/zinc/77/54/81/357775481.db2.gz MOUBWFRJHBQLED-WPRPVWTQSA-N 1 0 236.319 0.402 10 0 BCAERO COCCCCNC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000085012356 134221106 /nfs/dbraw/zinc/22/11/06/134221106.db2.gz PIKZHSZZBFMRHI-VHSXEESVSA-N 1 0 214.309 0.657 10 0 BCAERO COCCOC[C@@H](O)C[N@@H+]1CCS[C@@H](C)C1 ZINC000234701405 357825865 /nfs/dbraw/zinc/82/58/65/357825865.db2.gz AQXTYVSPZPBRJW-QWRGUYRKSA-N 1 0 249.376 0.448 10 0 BCAERO C[C@@H]1CN(C(=O)CCn2cccn2)C[C@@H]1[NH3+] ZINC000235328034 357866012 /nfs/dbraw/zinc/86/60/12/357866012.db2.gz AYYZNEAINYUOTD-ZJUUUORDSA-N 1 0 222.292 0.079 10 0 BCAERO CC1(C)C(NC(=O)[C@H]2C[C@@H](O)C[NH2+]2)C1(C)C ZINC000086240698 357876442 /nfs/dbraw/zinc/87/64/42/357876442.db2.gz SAPZLDYLTTWQKJ-HTQZYQBOSA-N 1 0 226.320 0.260 10 0 BCAERO CC(C)CNC(=O)C[N@@H+]1CC[C@@H](O)C[C@H]1C ZINC000639942788 357958747 /nfs/dbraw/zinc/95/87/47/357958747.db2.gz ZESITUJCRGYDSU-GHMZBOCLSA-N 1 0 228.336 0.604 10 0 BCAERO COCC[NH2+]CCNc1ncccc1OC ZINC000160300112 357971901 /nfs/dbraw/zinc/97/19/01/357971901.db2.gz FPOFLNZMKXDXCJ-UHFFFAOYSA-N 1 0 225.292 0.738 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)N(C)CCn1cccn1 ZINC000168803502 134246945 /nfs/dbraw/zinc/24/69/45/134246945.db2.gz GUGFLQRLSWLQGX-SNVBAGLBSA-N 1 0 224.308 0.469 10 0 BCAERO C[NH+](C)[C@@H]1CCN(C(=O)NC[C@H]2CCCO2)C1 ZINC000170861486 134254134 /nfs/dbraw/zinc/25/41/34/134254134.db2.gz QANRMAXKDQBKQE-GHMZBOCLSA-N 1 0 241.335 0.511 10 0 BCAERO CCC(C)(C)OC(=O)NC1(C[NH3+])COC1 ZINC000584601029 358103766 /nfs/dbraw/zinc/10/37/66/358103766.db2.gz KBNDCKJCMHZJEH-UHFFFAOYSA-N 1 0 216.281 0.629 10 0 BCAERO CC(C)(O)C[N@@H+]1CCC[C@@H](n2cncn2)C1 ZINC000171625526 134257192 /nfs/dbraw/zinc/25/71/92/134257192.db2.gz VRXBFDZGNKGRMC-SNVBAGLBSA-N 1 0 224.308 0.686 10 0 BCAERO CN(C(=O)CN1CC[N@@H+]2CCC[C@@H]2C1)C1CC1 ZINC000171637891 134257742 /nfs/dbraw/zinc/25/77/42/134257742.db2.gz MVADFDFKGUZQID-GFCCVEGCSA-N 1 0 237.347 0.387 10 0 BCAERO Cc1ncc(C2(C[NH3+])CCOCC2)cn1 ZINC000096868918 491124929 /nfs/dbraw/zinc/12/49/29/491124929.db2.gz KOVSLEUZAOEDFI-UHFFFAOYSA-N 1 0 207.277 0.792 10 0 BCAERO CO[C@H](C)CNC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000223753482 358230216 /nfs/dbraw/zinc/23/02/16/358230216.db2.gz CAUVATWHMSVIPD-IWSPIJDZSA-N 1 0 200.282 0.265 10 0 BCAERO O=C(NCC[C@H]1CCCCO1)[C@H]1CC[NH2+]C1 ZINC000224090436 358231299 /nfs/dbraw/zinc/23/12/99/358231299.db2.gz LEZUVRONEOHVBH-WDEREUQCSA-N 1 0 226.320 0.671 10 0 BCAERO O=C(NCC[C@H]1CCCCO1)[C@@H]1CC[NH2+]C1 ZINC000224090330 358231494 /nfs/dbraw/zinc/23/14/94/358231494.db2.gz LEZUVRONEOHVBH-GHMZBOCLSA-N 1 0 226.320 0.671 10 0 BCAERO C[NH2+][C@H](C)C(=O)NCC[C@H]1CCCCO1 ZINC000224053529 358231519 /nfs/dbraw/zinc/23/15/19/358231519.db2.gz BKAYUWBOALSBDQ-NXEZZACHSA-N 1 0 214.309 0.670 10 0 BCAERO CCCCN(C)C(=O)[C@H]1C[C@@H](OC)C[NH2+]1 ZINC000040630384 358244058 /nfs/dbraw/zinc/24/40/58/358244058.db2.gz PHHCNZQMDBOEDR-NXEZZACHSA-N 1 0 214.309 0.622 10 0 BCAERO CO[C@H]1C[NH2+][C@@H](C(=O)N(C)Cc2ccco2)C1 ZINC000040631887 358244456 /nfs/dbraw/zinc/24/44/56/358244456.db2.gz WENIKHRKKVLTPJ-GHMZBOCLSA-N 1 0 238.287 0.615 10 0 BCAERO CO[C@H]1C[NH2+][C@@H](C(=O)NCc2cccc(C)c2)C1 ZINC000040633912 358244461 /nfs/dbraw/zinc/24/44/61/358244461.db2.gz ZJFSTSSBTVPVRG-CHWSQXEVSA-N 1 0 248.326 0.988 10 0 BCAERO CCCc1nc(C(N)=[NH2+])cn2nc(C)nc12 ZINC000584612717 358276443 /nfs/dbraw/zinc/27/64/43/358276443.db2.gz ZJGBQVZGDXGQAL-UHFFFAOYSA-N 1 0 218.264 0.669 10 0 BCAERO [NH3+]CCNc1cc2n[nH]cc2c(Cl)n1 ZINC000584614466 358278999 /nfs/dbraw/zinc/27/89/99/358278999.db2.gz PXLOYFXCROTASC-UHFFFAOYSA-N 1 0 211.656 0.982 10 0 BCAERO CC(C)(C)OC(=O)NOCCOCC[NH3+] ZINC000584601177 358258047 /nfs/dbraw/zinc/25/80/47/358258047.db2.gz TTYYGLYRGAJOLR-UHFFFAOYSA-N 1 0 220.269 0.418 10 0 BCAERO CCCC[NH2+]CCC(=O)OC[C@@H]1COC(=O)O1 ZINC000584608073 358268326 /nfs/dbraw/zinc/26/83/26/358268326.db2.gz MMOPZUMUICUYRE-SECBINFHSA-N 1 0 245.275 0.845 10 0 BCAERO CCCC[NH2+]CCC(=O)OC[C@H]1COC(=O)O1 ZINC000584608082 358268408 /nfs/dbraw/zinc/26/84/08/358268408.db2.gz MMOPZUMUICUYRE-VIFPVBQESA-N 1 0 245.275 0.845 10 0 BCAERO COc1ccc(/C=[N+]2\C[C@H](C)C(=O)N2)cc1 ZINC000584609067 358269871 /nfs/dbraw/zinc/26/98/71/358269871.db2.gz JDLAAMFRIPQXTM-PFMRQGHBSA-O 1 0 219.264 0.808 10 0 BCAERO NC(=O)c1ccc(NCC2C[NH2+]C2)c2cc[nH]c21 ZINC000584619486 358286106 /nfs/dbraw/zinc/28/61/06/358286106.db2.gz SJDSVAJHEWLMPB-UHFFFAOYSA-N 1 0 244.298 0.898 10 0 BCAERO Cc1ccc(CC(=O)N(C)C2C[NH2+]C2)cc1 ZINC000085257555 134269043 /nfs/dbraw/zinc/26/90/43/134269043.db2.gz MTPFOKPMAPNYKF-UHFFFAOYSA-N 1 0 218.300 0.968 10 0 BCAERO Cc1cnn(-c2cnn3c2C[NH2+]CC3)c1 ZINC000584648953 358304320 /nfs/dbraw/zinc/30/43/20/358304320.db2.gz ZVJXMXXYCRTURT-UHFFFAOYSA-N 1 0 203.249 0.480 10 0 BCAERO Cc1ccc2c(c1)nc(NCC[NH+](C)C)n[n+]2[O-] ZINC000584658912 358310671 /nfs/dbraw/zinc/31/06/71/358310671.db2.gz FMDPFJVFKGZKCD-UHFFFAOYSA-N 1 0 248.310 0.181 10 0 BCAERO COC(=O)C[C@](C)([NH3+])c1ccnc(C)n1 ZINC000584636773 358321586 /nfs/dbraw/zinc/32/15/86/358321586.db2.gz CFKPVOZAQQKWLC-JTQLQIEISA-N 1 0 209.249 0.522 10 0 BCAERO CC[C@@H](O)C[N@@H+]1C[C@@H](C)[C@@H](N(C)C)C1 ZINC000226091277 358334144 /nfs/dbraw/zinc/33/41/44/358334144.db2.gz HUHUVXFDFQMHAQ-MXWKQRLJSA-N 1 0 200.326 0.639 10 0 BCAERO CCCCOC[C@H](O)C[NH2+]C[C@@H]1CCCN1C ZINC000226046476 358332984 /nfs/dbraw/zinc/33/29/84/358332984.db2.gz SRZMWBVUJQWRGV-QWHCGFSZSA-N 1 0 244.379 0.848 10 0 BCAERO CN1C[C@H]([NH2+][C@@H]2CCCC[C@H]2O)CCC1=O ZINC000226231088 358336453 /nfs/dbraw/zinc/33/64/53/358336453.db2.gz AAGMVMMTPORVMO-GMTAPVOTSA-N 1 0 226.320 0.500 10 0 BCAERO O=C(N[C@H]1c2ccccc2C[C@H]1O)[C@H]1CC[NH2+]C1 ZINC000227323675 358354133 /nfs/dbraw/zinc/35/41/33/358354133.db2.gz DDNDZBQSJVTGKO-UHTWSYAYSA-N 1 0 246.310 0.370 10 0 BCAERO CO[C@H]1C[NH2+][C@@H](C(=O)N2CCCC[C@@H]2C)C1 ZINC000226686559 358342491 /nfs/dbraw/zinc/34/24/91/358342491.db2.gz IZKIRNJEVVBKPG-HBNTYKKESA-N 1 0 226.320 0.764 10 0 BCAERO COCCCN1CCO[C@@H](c2nnc(C)[nH]2)C1 ZINC000173676639 134276006 /nfs/dbraw/zinc/27/60/06/134276006.db2.gz ULZQXKWAVNXCAN-SNVBAGLBSA-N 1 0 240.307 0.523 10 0 BCAERO Cc1nnc2c(N[C@@H](C)C[C@@H](C)[NH3+])nccn12 ZINC000228268025 358372026 /nfs/dbraw/zinc/37/20/26/358372026.db2.gz CZIRHAZTYMNUII-SFYZADRCSA-N 1 0 234.307 0.970 10 0 BCAERO CS[C@@H](CO)[C@H](C)[NH2+]CC(C)(C)O ZINC000228373125 358374428 /nfs/dbraw/zinc/37/44/28/358374428.db2.gz NYNMMEADIDROBP-YUMQZZPRSA-N 1 0 207.339 0.459 10 0 BCAERO Cc1noc(CCNC(=O)[C@@]2(C)CCC[NH2+]2)n1 ZINC000227425462 358356660 /nfs/dbraw/zinc/35/66/60/358356660.db2.gz HIYSOZQJZLOXQE-LLVKDONJSA-N 1 0 238.291 0.179 10 0 BCAERO C[C@@H](O)C1CCN(C(=O)[C@]2(C)CCC[NH2+]2)CC1 ZINC000227425940 358356902 /nfs/dbraw/zinc/35/69/02/358356902.db2.gz GHHIXGHSRPMCEB-MFKMUULPSA-N 1 0 240.347 0.748 10 0 BCAERO C[C@@H](NC(=O)[C@]1(C)CCCC[NH2+]1)c1nc[nH]n1 ZINC000227696990 358360776 /nfs/dbraw/zinc/36/07/76/358360776.db2.gz VRJMOYCNKXWDQT-KCJUWKMLSA-N 1 0 237.307 0.514 10 0 BCAERO CN(CCC[NH3+])c1cn[nH]c(=O)c1Cl ZINC000227749833 358362914 /nfs/dbraw/zinc/36/29/14/358362914.db2.gz HXZKCEXKWIIOQK-UHFFFAOYSA-N 1 0 216.672 0.208 10 0 BCAERO CC(C)[C@@H]([NH3+])CCN(C)c1nnnn1C ZINC000227737692 358363101 /nfs/dbraw/zinc/36/31/01/358363101.db2.gz WAXYYMUWKFQFJC-QMMMGPOBSA-N 1 0 212.301 0.020 10 0 BCAERO CC(C)[C@H]([NH3+])CCN(C)C(=O)c1nc[nH]n1 ZINC000227733143 358363160 /nfs/dbraw/zinc/36/31/60/358363160.db2.gz GITZLJMYBPHBBC-MRVPVSSYSA-N 1 0 225.296 0.250 10 0 BCAERO CCCCOC[C@H](O)C[NH2+]C[C@@H](O)C1CC1 ZINC000227892566 358365105 /nfs/dbraw/zinc/36/51/05/358365105.db2.gz XJFWUGGWRSQVMU-VXGBXAGGSA-N 1 0 231.336 0.525 10 0 BCAERO CCCCOC[C@H](O)C[NH2+]C[C@@H](C)O ZINC000227888836 358365230 /nfs/dbraw/zinc/36/52/30/358365230.db2.gz LKMGIOXJHJXIEV-NXEZZACHSA-N 1 0 205.298 0.134 10 0 BCAERO CCCCOC[C@@H](O)C[NH2+]Cc1nccn1C ZINC000227892547 358365307 /nfs/dbraw/zinc/36/53/07/358365307.db2.gz HOYIFBUKIIHEII-NSHDSACASA-N 1 0 241.335 0.687 10 0 BCAERO [NH3+]C[C@H]1CCCCN1C(=O)c1ccc[nH]c1=O ZINC000044541419 358390894 /nfs/dbraw/zinc/39/08/94/358390894.db2.gz BWRWGYSIRMPTDA-SECBINFHSA-N 1 0 235.287 0.328 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)NCC2([NH3+])CCC2)O1 ZINC000230074003 358391663 /nfs/dbraw/zinc/39/16/63/358391663.db2.gz SJZMPGMGQMQOTG-RKDXNWHRSA-N 1 0 212.293 0.552 10 0 BCAERO CCn1cnnc1C[NH2+][C@@H]1CCCC[C@H]1O ZINC000230755776 358410942 /nfs/dbraw/zinc/41/09/42/358410942.db2.gz SAIAZDXSZDYGCK-NXEZZACHSA-N 1 0 224.308 0.691 10 0 BCAERO CCc1nn(C)cc1NC(=O)[C@H]1CC[NH2+]C1 ZINC000231085788 358414414 /nfs/dbraw/zinc/41/44/14/358414414.db2.gz QEDMLFYONZLBFG-QMMMGPOBSA-N 1 0 222.292 0.531 10 0 BCAERO C[NH2+][C@H](C)C(=O)N[C@@H](CCO)C(C)C ZINC000231080689 358414602 /nfs/dbraw/zinc/41/46/02/358414602.db2.gz IUNSEELTPGTZQL-BDAKNGLRSA-N 1 0 202.298 0.118 10 0 BCAERO CCc1cnc(CNC(=O)[C@H]2CC[C@H]([NH3+])C2)o1 ZINC000231646293 358417649 /nfs/dbraw/zinc/41/76/49/358417649.db2.gz JPDOEOLNXOYVLR-IUCAKERBSA-N 1 0 237.303 0.981 10 0 BCAERO CCOC(=O)CC[C@H](O)C[NH2+]CC[C@@H](C)O ZINC000385496862 358441798 /nfs/dbraw/zinc/44/17/98/358441798.db2.gz DVEGRECNWQTKQF-ZJUUUORDSA-N 1 0 233.308 0.051 10 0 BCAERO CCOC(=O)CC[C@@H](O)C[NH2+]CC[C@H](C)O ZINC000385496860 358441834 /nfs/dbraw/zinc/44/18/34/358441834.db2.gz DVEGRECNWQTKQF-VHSXEESVSA-N 1 0 233.308 0.051 10 0 BCAERO O[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CO[C@H](C2CC2)C1 ZINC000628467885 358580407 /nfs/dbraw/zinc/58/04/07/358580407.db2.gz FNHFBMTWNWOCCN-YFKTTZPYSA-N 1 0 227.304 0.293 10 0 BCAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1CC(N)=O ZINC000175037790 134284208 /nfs/dbraw/zinc/28/42/08/134284208.db2.gz WJPXITRSNTWBFP-VHSXEESVSA-N 1 0 211.309 0.030 10 0 BCAERO Cc1cnc(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cn1 ZINC000049515927 358693561 /nfs/dbraw/zinc/69/35/61/358693561.db2.gz FGENZMWXMPXOHF-LLVKDONJSA-N 1 0 246.314 0.705 10 0 BCAERO CC[N@@H+]1CCC[C@H](NCc2nccn2C)C1 ZINC000051924008 358768325 /nfs/dbraw/zinc/76/83/25/358768325.db2.gz WNYXPBALQKHVHR-NSHDSACASA-N 1 0 222.336 0.994 10 0 BCAERO COc1cc(OC)nc(NC[C@@H]([NH3+])C(C)C)n1 ZINC000135010135 358815913 /nfs/dbraw/zinc/81/59/13/358815913.db2.gz ZXASRRUMTSNVSN-MRVPVSSYSA-N 1 0 240.307 0.889 10 0 BCAERO Cc1nnc2c(N[C@H](C)CC[NH3+])nccn12 ZINC000134275916 358785338 /nfs/dbraw/zinc/78/53/38/358785338.db2.gz HUAHRXCPENCAGN-SSDOTTSWSA-N 1 0 220.280 0.582 10 0 BCAERO CCCNC(=O)C[N@@H+]1CCC[C@H]1CCCO ZINC000052762146 358792100 /nfs/dbraw/zinc/79/21/00/358792100.db2.gz RNXSPVVQLAOUQL-NSHDSACASA-N 1 0 228.336 0.750 10 0 BCAERO CC(C)CNC(=O)[C@H](C)[NH2+][C@@H]1CCO[C@@H]1C ZINC000134543320 358794067 /nfs/dbraw/zinc/79/40/67/358794067.db2.gz JHAAMIHBLWWBNN-HBNTYKKESA-N 1 0 228.336 0.914 10 0 BCAERO CC(C)[C@H](C)NC(=O)C[NH2+][C@@H]1CCO[C@@H]1C ZINC000134546854 358795863 /nfs/dbraw/zinc/79/58/63/358795863.db2.gz ZNRMYBVFDJJADN-HBNTYKKESA-N 1 0 228.336 0.914 10 0 BCAERO NC(=O)c1ccc(NC2CC([NH3+])C2)c(F)c1 ZINC000036886637 181298907 /nfs/dbraw/zinc/29/89/07/181298907.db2.gz FCLRPHQDMXHUFT-UHFFFAOYSA-N 1 0 223.251 0.826 10 0 BCAERO C[C@@H]1C[N@H+](CCCO)C[C@@H]1N1CCOCC1 ZINC000177255414 134296747 /nfs/dbraw/zinc/29/67/47/134296747.db2.gz YLCRBDKYYLKNMP-NEPJUHHUSA-N 1 0 228.336 0.021 10 0 BCAERO C[C@H]([NH3+])[C@H](C)[S@](=O)[C@@H]1CCO[C@H]1C ZINC000300334996 358962566 /nfs/dbraw/zinc/96/25/66/358962566.db2.gz BJCRBLMCBLNWMZ-OFVGIVJASA-N 1 0 205.323 0.648 10 0 BCAERO O[C@H]1C[NH2+]CCN(C/C(Cl)=C/Cl)C1 ZINC000306161877 358966919 /nfs/dbraw/zinc/96/69/19/358966919.db2.gz WAEGXBHSRXZTPL-PFPYCLJUSA-N 1 0 225.119 0.572 10 0 BCAERO Cc1c(Cl)[nH]c(=O)n(CC[NH+](C)C)c1=O ZINC000160821189 358951669 /nfs/dbraw/zinc/95/16/69/358951669.db2.gz IWISRBTZQOAUQH-UHFFFAOYSA-N 1 0 231.683 0.060 10 0 BCAERO [NH3+]C[C@]1(c2ncc(Cl)cn2)CCOC1 ZINC000306158851 358952580 /nfs/dbraw/zinc/95/25/80/358952580.db2.gz DOOLHQHSKWBNGE-SECBINFHSA-N 1 0 213.668 0.747 10 0 BCAERO OC1(Cc2cncc(Br)c2)C[NH2+]C1 ZINC000160837759 358956780 /nfs/dbraw/zinc/95/67/80/358956780.db2.gz JIKQEPUBORFKMS-UHFFFAOYSA-N 1 0 243.104 0.721 10 0 BCAERO O=C1CCOC[C@H]1C[N@H+]1CCC[C@H](O)C1 ZINC000299965862 358958405 /nfs/dbraw/zinc/95/84/05/358958405.db2.gz CTNDAFWCDWJUBA-ZJUUUORDSA-N 1 0 213.277 0.049 10 0 BCAERO C[C@@H]1SCCC[C@@H]1[NH2+][C@H]1CNC(=O)C1 ZINC000300393760 358987520 /nfs/dbraw/zinc/98/75/20/358987520.db2.gz FNXSUFSTXXOIFN-YIZRAAEISA-N 1 0 214.334 0.749 10 0 BCAERO [NH2+]=C(NCc1ccccc1)N1CCCNC(=O)C1 ZINC000306183097 359000071 /nfs/dbraw/zinc/00/00/71/359000071.db2.gz ZSGXYYGZIZFYMJ-UHFFFAOYSA-N 1 0 246.314 0.533 10 0 BCAERO CCCCNC(=O)CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000247038012 359186132 /nfs/dbraw/zinc/18/61/32/359186132.db2.gz DNNDTZCILSMDBA-LBPRGKRZSA-N 1 0 239.363 0.683 10 0 BCAERO CCOCCN1CC[N@H+](CCCCO)C[C@H]1C ZINC000247071772 359192630 /nfs/dbraw/zinc/19/26/30/359192630.db2.gz GNQLZEYAEHVUQG-CYBMUJFWSA-N 1 0 244.379 0.802 10 0 BCAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@H]1CCOC1 ZINC000247094240 359193913 /nfs/dbraw/zinc/19/39/13/359193913.db2.gz IFZLNOAMUNCSFD-WOPDTQHZSA-N 1 0 238.331 0.718 10 0 BCAERO CCN1CCC[C@@H]([NH2+][C@H](C)CS(C)(=O)=O)C1 ZINC000246714342 359159259 /nfs/dbraw/zinc/15/92/59/359159259.db2.gz UBCGWPQFNJOSIE-GHMZBOCLSA-N 1 0 248.392 0.493 10 0 BCAERO C([C@H]1CCCO1)[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000246824287 359167825 /nfs/dbraw/zinc/16/78/25/359167825.db2.gz CKUVWJGKOXKAPN-CHWSQXEVSA-N 1 0 240.347 0.572 10 0 BCAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NS(=O)(=O)N(C)C)C1 ZINC000246841750 359168480 /nfs/dbraw/zinc/16/84/80/359168480.db2.gz DOJVSNVSRHLCMW-NXEZZACHSA-N 1 0 249.380 0.111 10 0 BCAERO CC(C)(C)NC(=O)CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000247129970 359196863 /nfs/dbraw/zinc/19/68/63/359196863.db2.gz KHLFMGWKGRBMTL-NSHDSACASA-N 1 0 239.363 0.681 10 0 BCAERO CC[C@H](O)C[N@@H+]1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000247770954 359243902 /nfs/dbraw/zinc/24/39/02/359243902.db2.gz PCFJMVSMUONIBW-WOPDTQHZSA-N 1 0 230.352 0.144 10 0 BCAERO CCOCCN1CC[N@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000247232763 359203165 /nfs/dbraw/zinc/20/31/65/359203165.db2.gz RKCVAFHYMNZNAG-RYUDHWBXSA-N 1 0 230.352 0.410 10 0 BCAERO CCOCCN1CC[N@H+](C[C@H](C)O)[C@H](C)C1 ZINC000247232747 359203884 /nfs/dbraw/zinc/20/38/84/359203884.db2.gz RKCVAFHYMNZNAG-NEPJUHHUSA-N 1 0 230.352 0.410 10 0 BCAERO CC[C@@H]1CN(CCCO)CC[N@@H+]1C[C@H](C)O ZINC000247240704 359204014 /nfs/dbraw/zinc/20/40/14/359204014.db2.gz SILGDTOKSZRPIJ-NWDGAFQWSA-N 1 0 230.352 0.146 10 0 BCAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1CC(=O)N(C)C ZINC000247464204 359222579 /nfs/dbraw/zinc/22/25/79/359222579.db2.gz RCBWLMHDIVHIIB-QWRGUYRKSA-N 1 0 225.336 0.243 10 0 BCAERO C[C@H](CCCCO)[NH2+][C@H]1CCCNC1=O ZINC000308888077 491139782 /nfs/dbraw/zinc/13/97/82/491139782.db2.gz WMQKZUUBGDKTBP-ZJUUUORDSA-N 1 0 214.309 0.406 10 0 BCAERO O=C(NC1C[NH2+]C1)c1cncc(Cl)c1 ZINC000306227664 359364174 /nfs/dbraw/zinc/36/41/74/359364174.db2.gz DOVDSDFLARNTDM-UHFFFAOYSA-N 1 0 211.652 0.437 10 0 BCAERO CCN(C)C(=O)N1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC000404241958 359371303 /nfs/dbraw/zinc/37/13/03/359371303.db2.gz XTADXYQDVGQPFK-UWVGGRQHSA-N 1 0 227.308 0.121 10 0 BCAERO Cc1ncccc1C[NH2+][C@@H]1CCOC[C@@H]1O ZINC000623764226 359342154 /nfs/dbraw/zinc/34/21/54/359342154.db2.gz AMQBABXVLJUEFN-NEPJUHHUSA-N 1 0 222.288 0.629 10 0 BCAERO Oc1cccc(CN2CC[C@H]3OCC[NH2+][C@H]3C2)c1 ZINC000404256742 359390085 /nfs/dbraw/zinc/39/00/85/359390085.db2.gz MGCWKRGJDDTEOG-UONOGXRCSA-N 1 0 248.326 0.955 10 0 BCAERO O=C1NCCC[C@@H]1[NH2+]C[C@@H]1CCCS1 ZINC000306234630 359391947 /nfs/dbraw/zinc/39/19/47/359391947.db2.gz GABCBKFRQHSAMC-IUCAKERBSA-N 1 0 214.334 0.750 10 0 BCAERO CN1CC[C@H]([NH2+][C@@H]2CSC2(C)C)C1=O ZINC000306250773 359455470 /nfs/dbraw/zinc/45/54/70/359455470.db2.gz SHZWYLXZQGXFJV-JGVFFNPUSA-N 1 0 214.334 0.701 10 0 BCAERO Cc1ncc([C@@H]2OC[C@@H](C[NH3+])O2)s1 ZINC000306258643 359475054 /nfs/dbraw/zinc/47/50/54/359475054.db2.gz SGLHPONLOUZARI-HTRCEHHLSA-N 1 0 200.263 0.824 10 0 BCAERO Cc1ncc([C@H]2OC[C@H](C[NH3+])O2)s1 ZINC000306258647 359475072 /nfs/dbraw/zinc/47/50/72/359475072.db2.gz SGLHPONLOUZARI-XPUUQOCRSA-N 1 0 200.263 0.824 10 0 BCAERO O=[S@]1CCCN(C[C@@H]2CCC[NH2+]2)CC1 ZINC000306274866 359506176 /nfs/dbraw/zinc/50/61/76/359506176.db2.gz KFDCGBLCZQQCCP-HZMBPMFUSA-N 1 0 216.350 0.193 10 0 BCAERO [NH2+]=C(NCc1ccccc1)N[C@@H]1CNC(=O)C1 ZINC000306270528 359491855 /nfs/dbraw/zinc/49/18/55/359491855.db2.gz UKBAAOIVGQWYJM-JTQLQIEISA-N 1 0 232.287 0.189 10 0 BCAERO COC(C)(C)CN(C)C(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000404333969 359577907 /nfs/dbraw/zinc/57/79/07/359577907.db2.gz DUZXZWCPCNPGFW-VHSXEESVSA-N 1 0 228.336 0.997 10 0 BCAERO CS(C)(=O)=NC(=O)C1CC[NH2+]CC1 ZINC000306309520 359590843 /nfs/dbraw/zinc/59/08/43/359590843.db2.gz SESKTHZSRXMGFG-UHFFFAOYSA-N 1 0 204.295 0.240 10 0 BCAERO C[NH2+][C@H](C)C(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000086932361 359591713 /nfs/dbraw/zinc/59/17/13/359591713.db2.gz ZZJUGIAPPRAIBZ-GMTAPVOTSA-N 1 0 225.336 0.289 10 0 BCAERO Cc1ccoc1C[NH2+][C@H]1CCOC[C@@H]1O ZINC000623764930 359632107 /nfs/dbraw/zinc/63/21/07/359632107.db2.gz LRPSESUBONIIKX-UWVGGRQHSA-N 1 0 211.261 0.827 10 0 BCAERO O[C@H]1COCC[C@@H]1[NH2+]Cc1[nH]nc2ccccc21 ZINC000623765150 359642049 /nfs/dbraw/zinc/64/20/49/359642049.db2.gz OLZPFUCBEKALFQ-AAEUAGOBSA-N 1 0 247.298 0.802 10 0 BCAERO CCOC(=O)CCNC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089461150 359646311 /nfs/dbraw/zinc/64/63/11/359646311.db2.gz ADUIFLXVNVSQDZ-ZJUUUORDSA-N 1 0 242.319 0.431 10 0 BCAERO Cn1nnc(Br)c1[C@@H]1C=CC[NH2+]1 ZINC000306362607 359696516 /nfs/dbraw/zinc/69/65/16/359696516.db2.gz UDTLTECCUKZVSK-YFKPBYRVSA-N 1 0 229.081 0.778 10 0 BCAERO CNC(=S)N1C[C@H](C)[C@H]([NH+](C)C)C1 ZINC000130399174 359750223 /nfs/dbraw/zinc/75/02/23/359750223.db2.gz GYEMUEUOSYCXOU-JGVFFNPUSA-N 1 0 201.339 0.373 10 0 BCAERO C[C@@H]1C[C@@H]1[NH2+][C@H]1CCS(=O)(=O)[C@H]1C ZINC000306385354 359737904 /nfs/dbraw/zinc/73/79/04/359737904.db2.gz FZKZVCYTXMQHPS-XGEHTFHBSA-N 1 0 203.307 0.560 10 0 BCAERO CC(C)[NH2+][C@@H]1CCN(S(C)(=O)=O)C[C@H]1C ZINC000309086045 491144240 /nfs/dbraw/zinc/14/42/40/491144240.db2.gz XTFQUDCHFDUQNX-NXEZZACHSA-N 1 0 234.365 0.654 10 0 BCAERO C[N@@H+]1CCC[C@H](NC(=O)n2ccnc2)C1 ZINC000040716074 359905730 /nfs/dbraw/zinc/90/57/30/359905730.db2.gz WWIFOWIKTVPJAU-VIFPVBQESA-N 1 0 208.265 0.535 10 0 BCAERO C[C@H](CCC[NH3+])Nc1ncnc2nc[nH]c21 ZINC000087362318 359908336 /nfs/dbraw/zinc/90/83/36/359908336.db2.gz TYOVKBRMSNBTEB-SSDOTTSWSA-N 1 0 220.280 0.892 10 0 BCAERO C[C@H](C(=O)N[C@H]1CC[NH2+]C1)C(C)(F)F ZINC000306440538 359951100 /nfs/dbraw/zinc/95/11/00/359951100.db2.gz QPFKTNJNXOJFCF-RQJHMYQMSA-N 1 0 206.236 0.756 10 0 BCAERO CC1(C[NH2+]C2CCOCC2)OCCO1 ZINC000306468209 360082032 /nfs/dbraw/zinc/08/20/32/360082032.db2.gz NPCXETYTFIVOOW-UHFFFAOYSA-N 1 0 201.266 0.518 10 0 BCAERO CC[C@@H](C[NH3+])N1CCC[S@](=O)CC1 ZINC000306481413 360142610 /nfs/dbraw/zinc/14/26/10/360142610.db2.gz KEFCLNAMXORJDF-ZANVPECISA-N 1 0 204.339 0.178 10 0 BCAERO C[C@H]1SCCN([C@@H]2C[NH2+]C[C@H]2O)[C@@H]1C ZINC000306483235 360151045 /nfs/dbraw/zinc/15/10/45/360151045.db2.gz MJXJRNCICJLUGB-ZYUZMQFOSA-N 1 0 216.350 0.145 10 0 BCAERO Cc1cc(F)cc(NC(=O)[C@H]2C[C@@H](O)C[NH2+]2)c1 ZINC000091514280 360119811 /nfs/dbraw/zinc/11/98/11/360119811.db2.gz FNCUYDWIEUWBNT-GHMZBOCLSA-N 1 0 238.262 0.795 10 0 BCAERO CC(C)(C[NH3+])N1CCC[S@](=O)CC1 ZINC000306490392 360201378 /nfs/dbraw/zinc/20/13/78/360201378.db2.gz VAYIVELMTCRQMB-ZDUSSCGKSA-N 1 0 204.339 0.178 10 0 BCAERO CO[C@@]1(C)CC[N@@H+]([C@H](C)C(N)=S)C1 ZINC000306488889 360190359 /nfs/dbraw/zinc/19/03/59/360190359.db2.gz VWTAJLBZDSLMEP-APPZFPTMSA-N 1 0 202.323 0.772 10 0 BCAERO C[C@@H]1CN(CC(C)(C)[NH3+])CC[S@]1=O ZINC000306496254 360224330 /nfs/dbraw/zinc/22/43/30/360224330.db2.gz DGNKEHLPLGXNQY-AMIZOPFISA-N 1 0 204.339 0.177 10 0 BCAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)C(C)(C)F ZINC000306497921 360232937 /nfs/dbraw/zinc/23/29/37/360232937.db2.gz CMCMQUUNMZCRNS-JGVFFNPUSA-N 1 0 202.273 0.991 10 0 BCAERO O=C(N1CC[C@H]2C[NH2+]C[C@@H]2C1)C(F)(F)F ZINC000306499683 360250804 /nfs/dbraw/zinc/25/08/04/360250804.db2.gz WLMVBFSRENYOGX-NKWVEPMBSA-N 1 0 222.210 0.617 10 0 BCAERO [NH3+][C@@H]1COC[C@@H]1N1C(=O)c2ccccc2C1=O ZINC000306498630 360251355 /nfs/dbraw/zinc/25/13/55/360251355.db2.gz FWBSDTUVUTZJCB-ZJUUUORDSA-N 1 0 232.239 0.009 10 0 BCAERO NC(=O)c1ccc(NCC[C@H]2CCC[NH2+]C2)nn1 ZINC000095013171 181300209 /nfs/dbraw/zinc/30/02/09/181300209.db2.gz JXPSGTBGOXACQP-SECBINFHSA-N 1 0 249.318 0.377 10 0 BCAERO Cc1c(C[NH2+]C[C@@H]2CN(C)CCO2)cnn1C ZINC000093650392 360267445 /nfs/dbraw/zinc/26/74/45/360267445.db2.gz YIIIXTMYNMVSRG-GFCCVEGCSA-N 1 0 238.335 0.149 10 0 BCAERO [NH3+]C[C@@H]1CC(=O)N([C@H]2CCSC2)C1 ZINC000231418026 360272988 /nfs/dbraw/zinc/27/29/88/360272988.db2.gz XAGILSYJZJJRJG-YUMQZZPRSA-N 1 0 200.307 0.299 10 0 BCAERO CC[S@](=O)N1CCC(C)([NH2+]C)CC1 ZINC000306514756 360338099 /nfs/dbraw/zinc/33/80/99/360338099.db2.gz BGXYZHZNOOIHEG-ZDUSSCGKSA-N 1 0 204.339 0.744 10 0 BCAERO [NH2+]=C(NCc1ccccc1)NC1COC1 ZINC000306515297 360341499 /nfs/dbraw/zinc/34/14/99/360341499.db2.gz CQSIEKOGBKUCPS-UHFFFAOYSA-N 1 0 205.261 0.699 10 0 BCAERO COC(=O)[C@@H](C1CC1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000094461784 360308922 /nfs/dbraw/zinc/30/89/22/360308922.db2.gz MNQMTQMDWDGBOI-VXGBXAGGSA-N 1 0 238.331 0.718 10 0 BCAERO C[C@@H]1[C@@H]([NH3+])CCCN1Cc1cnns1 ZINC000306524326 360368230 /nfs/dbraw/zinc/36/82/30/360368230.db2.gz ADTUPTCEFUQZCU-APPZFPTMSA-N 1 0 212.322 0.850 10 0 BCAERO Nc1cc[nH+]cc1CC(=O)c1cn[nH]c1 ZINC000306524632 360369757 /nfs/dbraw/zinc/36/97/57/360369757.db2.gz ZILIHBWJOGVMRW-UHFFFAOYSA-N 1 0 202.217 0.812 10 0 BCAERO C[C@@H]([NH3+])c1c[nH]c([C@H](C)S(C)(=O)=O)n1 ZINC000306536715 360395853 /nfs/dbraw/zinc/39/58/53/360395853.db2.gz HOSFPRGCUHSAKC-RITPCOANSA-N 1 0 217.294 0.535 10 0 BCAERO O=[S@](c1cccs1)[C@@H]1C[NH2+]C[C@@H]1O ZINC000306521066 360358675 /nfs/dbraw/zinc/35/86/75/360358675.db2.gz FMYWQUPXUCDFJS-NFNXHLSSSA-N 1 0 217.315 0.188 10 0 BCAERO CC[C@](C)(O)C[N@@H+]1CCN[C@@H](C)[C@@H]1C ZINC000306560725 360437907 /nfs/dbraw/zinc/43/79/07/360437907.db2.gz MRRJMYFPPRSTCM-DCAQKATOSA-N 1 0 200.326 0.830 10 0 BCAERO CCOCC[NH2+][C@H]1CCN(C(C)=O)C[C@H]1C ZINC000309414968 491148968 /nfs/dbraw/zinc/14/89/68/491148968.db2.gz CLIRWPSEERLZNC-PWSUYJOCSA-N 1 0 228.336 0.869 10 0 BCAERO [NH3+]CCN1CCNC(=O)c2sccc21 ZINC000306539834 360404489 /nfs/dbraw/zinc/40/44/89/360404489.db2.gz NZJQNESEQVLVQU-UHFFFAOYSA-N 1 0 211.290 0.257 10 0 BCAERO CS(=O)(=O)[C@H]1CCC[C@H](C2C[NH2+]C2)C1 ZINC000306547275 360416243 /nfs/dbraw/zinc/41/62/43/360416243.db2.gz XDJWELZXDRRUHW-WPRPVWTQSA-N 1 0 217.334 0.809 10 0 BCAERO CC(C)[C@H]([NH3+])C(=O)N1CCSC[C@H]1C ZINC000069761764 360420924 /nfs/dbraw/zinc/42/09/24/360420924.db2.gz CCKLFSHWBITYRC-BDAKNGLRSA-N 1 0 216.350 0.934 10 0 BCAERO CC(C)[C@H](C)[C@H]([NH3+])[C@@H]1CN(C)CCO1 ZINC000306553264 360426185 /nfs/dbraw/zinc/42/61/85/360426185.db2.gz BCIXYEYKUCUOPP-DCAQKATOSA-N 1 0 200.326 0.936 10 0 BCAERO CC(C)[S@](=O)N1CC[NH2+][C@@H](C)[C@H]1C ZINC000306560420 360435156 /nfs/dbraw/zinc/43/51/56/360435156.db2.gz MMPSVVKZOWNSBD-RWEMILLDSA-N 1 0 204.339 0.741 10 0 BCAERO O=c1[nH]cc(C[NH2+][C@H]2CCCSC2)[nH]1 ZINC000306583533 360482765 /nfs/dbraw/zinc/48/27/65/360482765.db2.gz FAUMSLAFJWFTTH-ZETCQYMHSA-N 1 0 213.306 0.688 10 0 BCAERO C[NH2+][C@@H](C)C(=O)N[C@H]1CS[C@H](C)C1 ZINC000306585694 360485937 /nfs/dbraw/zinc/48/59/37/360485937.db2.gz QVYUPIYPBNKLJQ-GJMOJQLCSA-N 1 0 202.323 0.605 10 0 BCAERO NC(=O)c1ccc(O[C@H]2CCC[NH2+]C2)nc1 ZINC000051872810 181301421 /nfs/dbraw/zinc/30/14/21/181301421.db2.gz NGADUXDDBPLVCB-VIFPVBQESA-N 1 0 221.260 0.311 10 0 BCAERO C[C@@H]1CSC[C@H]1NC(=O)C(C)(C)[NH3+] ZINC000306575084 360464498 /nfs/dbraw/zinc/46/44/98/360464498.db2.gz JENDRAXBCKLMPJ-RNFRBKRXSA-N 1 0 202.323 0.591 10 0 BCAERO C[C@H](C(=O)NC1(C)C[NH2+]C1)C(C)(F)F ZINC000306578533 360467325 /nfs/dbraw/zinc/46/73/25/360467325.db2.gz MHDPWWPRXOYUTM-ZCFIWIBFSA-N 1 0 206.236 0.756 10 0 BCAERO C[C@@H]1[NH2+]CCN(CC[S@@](C)=O)[C@H]1C ZINC000306591136 360504850 /nfs/dbraw/zinc/50/48/50/360504850.db2.gz VKUSAORWSYNPMG-MWODSPESSA-N 1 0 204.339 0.047 10 0 BCAERO C[C@@H]1[C@H](C)[NH2+]CCN1CC[S@@](C)=O ZINC000306591135 360505137 /nfs/dbraw/zinc/50/51/37/360505137.db2.gz VKUSAORWSYNPMG-IGJMFERPSA-N 1 0 204.339 0.047 10 0 BCAERO [NH3+][C@H]1CN(c2cncc(Br)c2)C1=O ZINC000300808070 360512545 /nfs/dbraw/zinc/51/25/45/360512545.db2.gz DTRNZKGACYAMCG-ZETCQYMHSA-N 1 0 242.076 0.518 10 0 BCAERO CN(Cc1csnn1)[C@H]1CCC[NH2+]C1 ZINC000306597160 360517226 /nfs/dbraw/zinc/51/72/26/360517226.db2.gz NSQIBBZQALYZJK-VIFPVBQESA-N 1 0 212.322 0.722 10 0 BCAERO CC(C)(C)OC(=O)N1CC(C)(NC2C[NH2+]C2)C1 ZINC000306597601 360519327 /nfs/dbraw/zinc/51/93/27/360519327.db2.gz ZRYOHNZOGWISGW-UHFFFAOYSA-N 1 0 241.335 0.557 10 0 BCAERO [NH3+][C@H]1CC[C@H]2CN(C(=O)C(F)(F)F)C[C@H]21 ZINC000306609136 360587531 /nfs/dbraw/zinc/58/75/31/360587531.db2.gz XSOBBJUEVIMDKZ-XVMARJQXSA-N 1 0 222.210 0.744 10 0 BCAERO CC1(C)[C@H]([NH2+]CC2(O)CCSCC2)C[C@@H]1O ZINC000309520336 491149885 /nfs/dbraw/zinc/14/98/85/491149885.db2.gz ZVNLGSGWDTVTTI-ZJUUUORDSA-N 1 0 245.388 0.994 10 0 BCAERO NC(=O)c1cccc(C(=O)N[C@H]2CCC[C@@H]2[NH3+])c1 ZINC000063172770 181303852 /nfs/dbraw/zinc/30/38/52/181303852.db2.gz HKHIQILSSRTWLG-QWRGUYRKSA-N 1 0 247.298 0.395 10 0 BCAERO COC[C@@H](C)C[NH2+]C1CCN(CCO)CC1 ZINC000309501506 491150455 /nfs/dbraw/zinc/15/04/55/491150455.db2.gz ZWDLFNVEOFXFSA-NSHDSACASA-N 1 0 230.352 0.315 10 0 BCAERO NC(=O)c1ccnc(NCC[C@H]2CCC[NH2+]C2)c1 ZINC000104364481 181307431 /nfs/dbraw/zinc/30/74/31/181307431.db2.gz DIJWZXJDJGOBBS-SNVBAGLBSA-N 1 0 248.330 0.982 10 0 BCAERO NC(=O)c1ccccc1NC(=O)[C@@H]1CCC[NH2+]1 ZINC000011754453 181306616 /nfs/dbraw/zinc/30/66/16/181306616.db2.gz LUSGTIILPUNMBT-JTQLQIEISA-N 1 0 233.271 0.476 10 0 BCAERO NC(=O)c1ccsc1NC(=O)[C@H]1CC[NH2+]C1 ZINC000062116353 181308700 /nfs/dbraw/zinc/30/87/00/181308700.db2.gz BIRWGUUTSVRAPK-LURJTMIESA-N 1 0 239.300 0.395 10 0 BCAERO NC(=O)c1cccnc1NC1CC[NH2+]CC1 ZINC000019488924 181307738 /nfs/dbraw/zinc/30/77/38/181307738.db2.gz JFLUHIRBKGSFQK-UHFFFAOYSA-N 1 0 220.276 0.344 10 0 BCAERO Cc1nnc(N[C@]2(C[NH3+])CCOC2)s1 ZINC000306611747 360852613 /nfs/dbraw/zinc/85/26/13/360852613.db2.gz HBYRWWKFTIZTAS-QMMMGPOBSA-N 1 0 214.294 0.376 10 0 BCAERO NC(=S)CC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000049570296 181315300 /nfs/dbraw/zinc/31/53/00/181315300.db2.gz UWDVAXSLGLNGGY-BDAKNGLRSA-N 1 0 241.360 0.406 10 0 BCAERO NC(=O)c1nccnc1N[C@@H]1CCCCC[C@H]1[NH3+] ZINC000063214487 181313907 /nfs/dbraw/zinc/31/39/07/181313907.db2.gz LXCVAXFWCHHJBZ-RKDXNWHRSA-N 1 0 249.318 0.647 10 0 BCAERO CCOC(=O)CC[NH2+]C1CCOCC1 ZINC000036319751 360907197 /nfs/dbraw/zinc/90/71/97/360907197.db2.gz UPABPABMQWJSPC-UHFFFAOYSA-N 1 0 201.266 0.708 10 0 BCAERO NC(=S)N1CC[NH+](C2CCCC2)CC1 ZINC000002599544 181318748 /nfs/dbraw/zinc/31/87/48/181318748.db2.gz PAUUKWDQTXBLSX-UHFFFAOYSA-N 1 0 213.350 0.790 10 0 BCAERO COCCC[NH2+][C@H]1CCN(C(C)=O)C[C@H]1C ZINC000309623831 491153016 /nfs/dbraw/zinc/15/30/16/491153016.db2.gz FWYZFSXKPWSEFZ-PWSUYJOCSA-N 1 0 228.336 0.869 10 0 BCAERO CC(C)(O)C[NH2+][C@H]1CCN(C2CCC2)C1=O ZINC000629273365 360986802 /nfs/dbraw/zinc/98/68/02/360986802.db2.gz STZCDQXMJISMNW-JTQLQIEISA-N 1 0 226.320 0.500 10 0 BCAERO C[C@H](NC(=O)C1([NH3+])CCC1)C(C)(C)O ZINC000306613207 361078614 /nfs/dbraw/zinc/07/86/14/361078614.db2.gz KFEXZBYFPFUGCY-ZETCQYMHSA-N 1 0 200.282 0.143 10 0 BCAERO C[C@H](NC(=O)NCC[NH+](C)C)[C@H]1CCCO1 ZINC000133456490 491154746 /nfs/dbraw/zinc/15/47/46/491154746.db2.gz AKLWRZZAHNQYLS-VHSXEESVSA-N 1 0 229.324 0.415 10 0 BCAERO [NH3+]CC1(N2CCSCC2)CSC1 ZINC000306618592 361194357 /nfs/dbraw/zinc/19/43/57/361194357.db2.gz SKRUULOSHBYQTK-UHFFFAOYSA-N 1 0 204.364 0.480 10 0 BCAERO CC[N@@H+]1CCC[C@H]1CN(C)C[C@H](C)O ZINC000158506559 361200523 /nfs/dbraw/zinc/20/05/23/361200523.db2.gz VRUUQTNJKZOLCG-QWRGUYRKSA-N 1 0 200.326 0.783 10 0 BCAERO CC(C)(O)C[N@@H+]1C[C@@H](CO)OC(C)(C)C1 ZINC000158712351 361209613 /nfs/dbraw/zinc/20/96/13/361209613.db2.gz MODVTEMSTHNPES-VIFPVBQESA-N 1 0 217.309 0.229 10 0 BCAERO CC1(C)C[N@@H+]([C@@H]2CCOC2)C[C@H](CO)O1 ZINC000158730042 361210196 /nfs/dbraw/zinc/21/01/96/361210196.db2.gz LKDDBQLJFIUEHN-NXEZZACHSA-N 1 0 215.293 0.247 10 0 BCAERO CCC[C@H](O)CNC(=O)[C@@H]1C[NH2+]C[C@@H]1C ZINC000158789461 361210937 /nfs/dbraw/zinc/21/09/37/361210937.db2.gz WMMIDRJSNLSTFS-LPEHRKFASA-N 1 0 214.309 0.119 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)NC1CCSCC1 ZINC000158779721 361211654 /nfs/dbraw/zinc/21/16/54/361211654.db2.gz FEUIFPQCDFFKTH-PSASIEDQSA-N 1 0 228.361 0.854 10 0 BCAERO O[C@H]1C[NH2+][C@@H](c2nc(CC3CC3)no2)C1 ZINC000159082292 361220797 /nfs/dbraw/zinc/22/07/97/361220797.db2.gz IOQKIFOBSUQCQQ-HTQZYQBOSA-N 1 0 209.249 0.417 10 0 BCAERO [NH3+]C1(C(=O)NC[C@H]2CCOC2)CCCCC1 ZINC000037739095 181327279 /nfs/dbraw/zinc/32/72/79/181327279.db2.gz UKOAZGJKVQASEW-SNVBAGLBSA-N 1 0 226.320 0.801 10 0 BCAERO O=C(N1CC[C@H]2OCC[NH2+][C@H]2C1)C(F)(F)F ZINC000403993396 361301447 /nfs/dbraw/zinc/30/14/47/361301447.db2.gz FGXPFUCYIAZFGB-NKWVEPMBSA-N 1 0 238.209 0.138 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N1CCC(O)(CC)CC1 ZINC000579019569 366698108 /nfs/dbraw/zinc/69/81/08/366698108.db2.gz VNKFFFXHCJXMCT-JTQLQIEISA-N 1 0 228.336 0.877 10 0 BCAERO O=C(NC1CC[NH2+]CC1)[C@H]1CCSC1 ZINC000069986514 361322319 /nfs/dbraw/zinc/32/23/19/361322319.db2.gz AUBKRBUCYKPLBG-QMMMGPOBSA-N 1 0 214.334 0.608 10 0 BCAERO [NH3+][C@H]1CCN(C(=O)[C@H]2CCSC2)C1 ZINC000069986668 361322476 /nfs/dbraw/zinc/32/24/76/361322476.db2.gz RSQIWEMFCOKAQF-YUMQZZPRSA-N 1 0 200.307 0.299 10 0 BCAERO [NH3+]C1(C(=O)Nc2ncccc2O)CCCC1 ZINC000125058306 181329211 /nfs/dbraw/zinc/32/92/11/181329211.db2.gz RJALQHXEMTWGLR-UHFFFAOYSA-N 1 0 221.260 0.997 10 0 BCAERO [NH3+]C1(C(=O)Nc2ccnc3ccnn32)CCCC1 ZINC000237949956 181329248 /nfs/dbraw/zinc/32/92/48/181329248.db2.gz AUMRZXHFOHRLAW-UHFFFAOYSA-N 1 0 245.286 0.939 10 0 BCAERO [NH3+]C1(C(=O)Nc2ccc(F)cn2)CCOCC1 ZINC000127993487 181330022 /nfs/dbraw/zinc/33/00/22/181330022.db2.gz MCBIAHHWAKFFAR-UHFFFAOYSA-N 1 0 239.250 0.667 10 0 BCAERO [NH3+]C1(CN2C(=O)CCC2=O)CCCCC1 ZINC000169726502 181330942 /nfs/dbraw/zinc/33/09/42/181330942.db2.gz KWPYXHVRXMQDIQ-UHFFFAOYSA-N 1 0 210.277 0.797 10 0 BCAERO [NH3+][C@@H]1CCCN(Cc2cscn2)C1=O ZINC000070061477 361390414 /nfs/dbraw/zinc/39/04/14/361390414.db2.gz QRBBMXKDRFZVQN-MRVPVSSYSA-N 1 0 211.290 0.593 10 0 BCAERO CCN(CC[NH3+])CCCS(=O)(=O)C(C)C ZINC000629556553 361449780 /nfs/dbraw/zinc/44/97/80/361449780.db2.gz LHYJERSMNIRKKK-UHFFFAOYSA-N 1 0 236.381 0.480 10 0 BCAERO CCN1OC[C@H]([NH2+][C@@H](C)[C@@H]2CCCO2)C1=O ZINC000309930141 491158324 /nfs/dbraw/zinc/15/83/24/491158324.db2.gz XNHSISPAVQUPAV-GUBZILKMSA-N 1 0 228.292 0.306 10 0 BCAERO CC[NH2+]C[C@@H]1C[C@@]12CCCS(=O)(=O)C2 ZINC000070079203 361451210 /nfs/dbraw/zinc/45/12/10/361451210.db2.gz DRVHFHUVWBAWIO-VHSXEESVSA-N 1 0 217.334 0.811 10 0 BCAERO C[C@](O)(C[NH2+][C@H]1CCOC[C@H]1O)C(F)(F)F ZINC000629608379 361495960 /nfs/dbraw/zinc/49/59/60/361495960.db2.gz GUESHURBDIXYIO-RNJXMRFFSA-N 1 0 243.225 0.039 10 0 BCAERO O[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCOC[C@@H]1O ZINC000629609334 361496692 /nfs/dbraw/zinc/49/66/92/361496692.db2.gz WYRLAONKAGTNBO-YTWAJWBKSA-N 1 0 215.293 0.029 10 0 BCAERO [NH3+]C1CC(NS(=O)(=O)C2CCCCC2)C1 ZINC000038137526 181340247 /nfs/dbraw/zinc/34/02/47/181340247.db2.gz NYGYWFGWVGZDSV-UHFFFAOYSA-N 1 0 232.349 0.728 10 0 BCAERO [NH3+]C1CCC(C(=O)N2CC[C@H](O)C2)CC1 ZINC000061712332 181340068 /nfs/dbraw/zinc/34/00/68/181340068.db2.gz IGYIALBESSBTKC-RTBKNWGFSA-N 1 0 212.293 0.097 10 0 BCAERO [NH3+]C1CC(NC(=O)c2ncccc2O)C1 ZINC000037760301 181339980 /nfs/dbraw/zinc/33/99/80/181339980.db2.gz ULBUGCBKQSGJGM-UHFFFAOYSA-N 1 0 207.233 0.007 10 0 BCAERO [NH3+]C1CC(NC(=O)Cc2cccs2)C1 ZINC000036237247 181339996 /nfs/dbraw/zinc/33/99/96/181339996.db2.gz YQOGBNWVQOHKBB-UHFFFAOYSA-N 1 0 210.302 0.897 10 0 BCAERO CCN1C[C@H](C)[C@H]([NH2+][C@@H]2CN(C)C[C@@H]2C)C1 ZINC000309982430 491159378 /nfs/dbraw/zinc/15/93/78/491159378.db2.gz WVJGGFLEMJKWRK-WUHRBBMRSA-N 1 0 225.380 0.866 10 0 BCAERO [NH3+]C1CCC(C(=O)NC2CCOCC2)CC1 ZINC000037482318 181340588 /nfs/dbraw/zinc/34/05/88/181340588.db2.gz INIQPJRGCRGZSO-UHFFFAOYSA-N 1 0 226.320 0.799 10 0 BCAERO [NH3+]C1CCC(OCCN2CCOCC2)CC1 ZINC000055142828 181342729 /nfs/dbraw/zinc/34/27/29/181342729.db2.gz BMYNCXXPXBKXTI-UHFFFAOYSA-N 1 0 228.336 0.605 10 0 BCAERO CC(C)[C@H](C)[N@H+](C)CC(C)(CO)CO ZINC000133751959 491160019 /nfs/dbraw/zinc/16/00/19/491160019.db2.gz ZWOBCRGWDWJIFU-JTQLQIEISA-N 1 0 203.326 0.954 10 0 BCAERO [NH3+]C1CCC(O[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000055143233 181342439 /nfs/dbraw/zinc/34/24/39/181342439.db2.gz UUUVQGYEHUGDED-UDNWOFFPSA-N 1 0 233.333 0.460 10 0 BCAERO [NH3+]C1CCN(CC(=O)c2ccc[nH]2)CC1 ZINC000050158336 181343259 /nfs/dbraw/zinc/34/32/59/181343259.db2.gz CJRBHLHTRKPKSU-UHFFFAOYSA-N 1 0 207.277 0.621 10 0 BCAERO [NH3+]C1CCN(C(=O)c2cnsn2)CC1 ZINC000036753510 181343407 /nfs/dbraw/zinc/34/34/07/181343407.db2.gz CKHLGAMBVDNESH-UHFFFAOYSA-N 1 0 212.278 0.101 10 0 BCAERO [NH3+]C1CCN(C(=O)c2ccc(O)cc2)CC1 ZINC000019278584 181343455 /nfs/dbraw/zinc/34/34/55/181343455.db2.gz QIXYGRHEXVHETF-UHFFFAOYSA-N 1 0 220.272 0.956 10 0 BCAERO C[C@H]1C[NH+]=C(NC[C@@H]2CCC(=O)N2)S1 ZINC000070628569 361680539 /nfs/dbraw/zinc/68/05/39/361680539.db2.gz BZTHHVPEWIDSTG-BQBZGAKWSA-N 1 0 213.306 0.346 10 0 BCAERO [NH3+]Cc1csc(N2CCCOCC2)n1 ZINC000070628845 361682214 /nfs/dbraw/zinc/68/22/14/361682214.db2.gz YRYVEFFEDSKNCI-UHFFFAOYSA-N 1 0 213.306 0.829 10 0 BCAERO [NH3+]C1CN(C(=O)[C@@H]2COc3ccccc3C2)C1 ZINC000104312714 181344485 /nfs/dbraw/zinc/34/44/85/181344485.db2.gz IWHJGOCDIYSLFQ-JTQLQIEISA-N 1 0 232.283 0.407 10 0 BCAERO Cc1csc(NC[C@H]([NH3+])[C@@H](C)O)n1 ZINC000070648105 361695847 /nfs/dbraw/zinc/69/58/47/361695847.db2.gz OQBOJKBFDKEGEE-RQJHMYQMSA-N 1 0 201.295 0.572 10 0 BCAERO Cc1nc(SC[C@H]2C[NH2+]CCO2)n[nH]1 ZINC000070649858 361695922 /nfs/dbraw/zinc/69/59/22/361695922.db2.gz IFVQSRSEWFSPIX-SSDOTTSWSA-N 1 0 214.294 0.194 10 0 BCAERO [NH3+]C1CCN(C(=O)[C@H]2CCCOC2)CC1 ZINC000054769054 181344016 /nfs/dbraw/zinc/34/40/16/181344016.db2.gz JRSQYFXMOKCRBB-VIFPVBQESA-N 1 0 212.293 0.363 10 0 BCAERO O=Cc1ccc(CN2CCC[NH2+]CC2)o1 ZINC000161280052 363885243 /nfs/dbraw/zinc/88/52/43/363885243.db2.gz CIBNQSXKGDTOCM-UHFFFAOYSA-N 1 0 208.261 0.887 10 0 BCAERO CCN(CC[NH3+])c1ccc(C(=O)OC)c(C)n1 ZINC000122842202 363890790 /nfs/dbraw/zinc/89/07/90/363890790.db2.gz OGKRDOANWXTVGB-UHFFFAOYSA-N 1 0 237.303 0.962 10 0 BCAERO CCS(=O)(=O)N1CCCC[C@@H](C[NH3+])C1 ZINC000306369068 541312889 /nfs/dbraw/zinc/31/28/89/541312889.db2.gz BIVLGHHJIDNLIB-VIFPVBQESA-N 1 0 220.338 0.397 10 0 BCAERO [NH3+]CC(=O)NC[C@@H](O)c1ccc(Cl)s1 ZINC000119406380 181352076 /nfs/dbraw/zinc/35/20/76/181352076.db2.gz QYNVGECHVFEGFH-RXMQYKEDSA-N 1 0 234.708 0.510 10 0 BCAERO C(O[C@H]1CCCOC1)[C@@H]1C[NH2+]CCO1 ZINC000224925775 363953802 /nfs/dbraw/zinc/95/38/02/363953802.db2.gz RKMVLRYGIIFZQD-UWVGGRQHSA-N 1 0 201.266 0.170 10 0 BCAERO CCCS(=O)(=O)NC[C@H]1CCCC[NH2+]C1 ZINC000308807194 541329320 /nfs/dbraw/zinc/32/93/20/541329320.db2.gz GFQXSNSENWUDQT-JTQLQIEISA-N 1 0 234.365 0.706 10 0 BCAERO [NH3+]CC(=O)NCc1ccc(Br)o1 ZINC000083359366 181353963 /nfs/dbraw/zinc/35/39/63/181353963.db2.gz ODZXQUZBWUEEEG-UHFFFAOYSA-N 1 0 233.065 0.617 10 0 BCAERO [NH3+]CC(=O)NC[C@H]1Cc2ccccc2O1 ZINC000038010002 181354212 /nfs/dbraw/zinc/35/42/12/181354212.db2.gz KDUXUAAKHAVDBQ-SECBINFHSA-N 1 0 206.245 0.065 10 0 BCAERO [NH3+]CC(=O)Nc1ccc(Br)cn1 ZINC000042228367 181355053 /nfs/dbraw/zinc/35/50/53/181355053.db2.gz GWJKESBCVSXAJY-UHFFFAOYSA-N 1 0 230.065 0.741 10 0 BCAERO [NH3+]CC(=O)Nc1ccc2c(c1)NC(=O)CS2 ZINC000037031309 181355060 /nfs/dbraw/zinc/35/50/60/181355060.db2.gz YZPOYAXMEAINCW-UHFFFAOYSA-N 1 0 237.284 0.628 10 0 BCAERO CO[C@@H]1CN(Cc2cncn2C)[C@](C)(C[NH3+])C1 ZINC000630359186 364076581 /nfs/dbraw/zinc/07/65/81/364076581.db2.gz BZFVYSSBTGKBRB-RYUDHWBXSA-N 1 0 238.335 0.358 10 0 BCAERO COCCCCN1C[C@@H](OC)C[C@]1(C)C[NH3+] ZINC000630357204 364079139 /nfs/dbraw/zinc/07/91/39/364079139.db2.gz CPHZRQBPORIQQC-NWDGAFQWSA-N 1 0 230.352 0.851 10 0 BCAERO CO[C@@H]1CN(C(=O)C2CCC2)[C@](C)(C[NH3+])C1 ZINC000630359832 364080800 /nfs/dbraw/zinc/08/08/00/364080800.db2.gz HFJYSPDTIYGFEO-JQWIXIFHSA-N 1 0 226.320 0.751 10 0 BCAERO CCOCCCN1C[C@@H](OC)C[C@@]1(C)C[NH3+] ZINC000630361269 364080993 /nfs/dbraw/zinc/08/09/93/364080993.db2.gz IMASVPYNUWXRAV-RYUDHWBXSA-N 1 0 230.352 0.851 10 0 BCAERO C[C@H](O)CN(C)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC000725241525 541329961 /nfs/dbraw/zinc/32/99/61/541329961.db2.gz HPTCISWSJYBILP-QJPTWQEYSA-N 1 0 212.337 0.926 10 0 BCAERO CO[C@@H]1CN(C(=O)c2ccc[nH]2)[C@@](C)(C[NH3+])C1 ZINC000630367297 364084933 /nfs/dbraw/zinc/08/49/33/364084933.db2.gz NOZPRGSJUFTWGJ-JOYOIKCWSA-N 1 0 237.303 0.593 10 0 BCAERO CO[C@@H]1CN(Cc2ccon2)[C@@](C)(C[NH3+])C1 ZINC000630362559 364081828 /nfs/dbraw/zinc/08/18/28/364081828.db2.gz OBNUGYWRHNRPJY-WDEREUQCSA-N 1 0 225.292 0.613 10 0 BCAERO CO[C@H]1CN(C(=O)CC2CC2)[C@](C)(C[NH3+])C1 ZINC000630367954 364084939 /nfs/dbraw/zinc/08/49/39/364084939.db2.gz OONWBDWPJJSUMJ-PWSUYJOCSA-N 1 0 226.320 0.751 10 0 BCAERO CO[C@@H]1CN(C(=O)[C@@H]2C[C@H]2C)[C@](C)(C[NH3+])C1 ZINC000630363041 364082381 /nfs/dbraw/zinc/08/23/81/364082381.db2.gz OHBCQVBKZMOVAC-KLBPJQLPSA-N 1 0 226.320 0.607 10 0 BCAERO COC[C@H](C)NC(=O)C[NH2+]CC1CC1 ZINC000037478085 364061267 /nfs/dbraw/zinc/06/12/67/364061267.db2.gz KLSMDXDDHRSBCH-QMMMGPOBSA-N 1 0 200.282 0.137 10 0 BCAERO C[C@H](NC(=O)C1([NH3+])CCCC1)[C@H]1CCCO1 ZINC000037479491 364061902 /nfs/dbraw/zinc/06/19/02/364061902.db2.gz HQIUJMCJAIDQFU-VHSXEESVSA-N 1 0 226.320 0.942 10 0 BCAERO CO[C@@H]1CN(C(=O)C2CC2)[C@](C)(C[NH3+])C1 ZINC000630366100 364083715 /nfs/dbraw/zinc/08/37/15/364083715.db2.gz ZMLQTLAHORWVHT-ONGXEEELSA-N 1 0 212.293 0.361 10 0 BCAERO CCCCNC(=O)N1C[C@@H](OC)C[C@@]1(C)C[NH3+] ZINC000630365547 364083758 /nfs/dbraw/zinc/08/37/58/364083758.db2.gz IQPNJXHQBBOYOE-JQWIXIFHSA-N 1 0 243.351 0.934 10 0 BCAERO CCNC(=O)N1C[C@@H](OC)C[C@@]1(C)C[NH3+] ZINC000630367736 364085193 /nfs/dbraw/zinc/08/51/93/364085193.db2.gz PMVKEBRPQODANS-WPRPVWTQSA-N 1 0 215.297 0.154 10 0 BCAERO CO[C@@H]1CN(Cc2noc(C)n2)[C@](C)(C[NH3+])C1 ZINC000630369753 364087373 /nfs/dbraw/zinc/08/73/73/364087373.db2.gz XSOSQZRSSSHDNY-ONGXEEELSA-N 1 0 240.307 0.316 10 0 BCAERO COCCCC(=O)N1C[C@H](OC)C[C@]1(C)C[NH3+] ZINC000630371234 364087896 /nfs/dbraw/zinc/08/78/96/364087896.db2.gz RCDGGLHHRWSXGU-ZYHUDNBSSA-N 1 0 244.335 0.378 10 0 BCAERO [NH3+]CC(=O)Nc1ccccc1-n1cccn1 ZINC000037026657 181356047 /nfs/dbraw/zinc/35/60/47/181356047.db2.gz KOGBVDUWXSVBSU-UHFFFAOYSA-N 1 0 216.244 0.770 10 0 BCAERO CC(C)(C)C(=O)NC[C@H]1OC(=O)CC12C[NH2+]C2 ZINC000725263345 541336454 /nfs/dbraw/zinc/33/64/54/541336454.db2.gz OVTBEHDCLGHDIK-MRVPVSSYSA-N 1 0 240.303 0.054 10 0 BCAERO COCCC(=O)NC[C@H]1CCCCC[NH2+]1 ZINC000725268980 541338219 /nfs/dbraw/zinc/33/82/19/541338219.db2.gz AERCLNBOCJPHSW-SNVBAGLBSA-N 1 0 214.309 0.671 10 0 BCAERO CCNC(=O)c1cc(C[NH3+])ccc1OC ZINC000725269736 541339021 /nfs/dbraw/zinc/33/90/21/541339021.db2.gz XUTXCHVOGVNFLN-UHFFFAOYSA-N 1 0 208.261 0.904 10 0 BCAERO CCCNC(=O)N[C@H]1CCOC12CC[NH2+]CC2 ZINC000725269801 541339040 /nfs/dbraw/zinc/33/90/40/541339040.db2.gz QOXPEAAROKSSSK-JTQLQIEISA-N 1 0 241.335 0.607 10 0 BCAERO COC(=O)C1CC[NH+]([C@H]2[C@@H]3COC[C@@H]32)CC1 ZINC000725269854 541339219 /nfs/dbraw/zinc/33/92/19/541339219.db2.gz QQHAVPRPAFTCCX-URLYPYJESA-N 1 0 225.288 0.516 10 0 BCAERO [NH3+]CC1(C(=O)NCc2ccc3c(c2)OCO3)CC1 ZINC000077420335 181358583 /nfs/dbraw/zinc/35/85/83/181358583.db2.gz WJQDSHVCUMDTRV-UHFFFAOYSA-N 1 0 248.282 0.770 10 0 BCAERO C[C@@H]1[NH2+]CC[C@H]1Nc1nnnn1-c1ccccc1 ZINC000630547159 364240070 /nfs/dbraw/zinc/24/00/70/364240070.db2.gz ZTWXYPDZBRFJCE-GXSJLCMTSA-N 1 0 244.302 0.247 10 0 BCAERO C[C@@H]1[NH2+]CC[C@H]1Nc1cn[nH]c(=O)c1Cl ZINC000630544485 364240244 /nfs/dbraw/zinc/24/02/44/364240244.db2.gz GQFOMFQACNLNGJ-NTSWFWBYSA-N 1 0 228.683 0.998 10 0 BCAERO C[C@@H]1CN(c2ncc(F)cn2)C[C@@H]1C[NH3+] ZINC000630576710 364275001 /nfs/dbraw/zinc/27/50/01/364275001.db2.gz ZDNAPKXXSPNRIK-SFYZADRCSA-N 1 0 210.256 0.647 10 0 BCAERO CCOc1nccnc1N1C[C@H](C)[C@H](C[NH3+])C1 ZINC000630553164 364248088 /nfs/dbraw/zinc/24/80/88/364248088.db2.gz IQIJBJYVZIKJOQ-VHSXEESVSA-N 1 0 236.319 0.906 10 0 BCAERO CCOc1nccnc1N1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000630553163 364248118 /nfs/dbraw/zinc/24/81/18/364248118.db2.gz IQIJBJYVZIKJOQ-UWVGGRQHSA-N 1 0 236.319 0.906 10 0 BCAERO COc1cc(C)nc(N2C[C@H](C)[C@H](C[NH3+])C2)n1 ZINC000630553695 364249357 /nfs/dbraw/zinc/24/93/57/364249357.db2.gz KZKHJZDIJDKBQS-WCBMZHEXSA-N 1 0 236.319 0.825 10 0 BCAERO Cc1nnc2c(N3C[C@@H](C)[C@@H](C[NH3+])C3)nccn12 ZINC000630554669 364250791 /nfs/dbraw/zinc/25/07/91/364250791.db2.gz QWSLKASBNBOCNC-SCZZXKLOSA-N 1 0 246.318 0.464 10 0 BCAERO Cc1nnc(N2C[C@@H](C)[C@@H](C[NH3+])C2)s1 ZINC000630573555 364269272 /nfs/dbraw/zinc/26/92/72/364269272.db2.gz UVPOQIDGXUJMAT-SVRRBLITSA-N 1 0 212.322 0.878 10 0 BCAERO CCOc1cc(N2C[C@H](C)[C@H](C[NH3+])C2)ncn1 ZINC000630573531 364269494 /nfs/dbraw/zinc/26/94/94/364269494.db2.gz UQLGTOBRGOGPAX-VHSXEESVSA-N 1 0 236.319 0.906 10 0 BCAERO C[C@H]1CC[C@@H](Nc2ncnc3nc[nH]c32)C[NH2+]1 ZINC000630535330 364229908 /nfs/dbraw/zinc/22/99/08/364229908.db2.gz TYPJZIKKFFPXQF-JGVFFNPUSA-N 1 0 232.291 0.905 10 0 BCAERO CN(CCOCC[NH3+])c1nc2ccccc2n1C ZINC000630536556 364231324 /nfs/dbraw/zinc/23/13/24/364231324.db2.gz RJQVPCOPJPHMSB-UHFFFAOYSA-N 1 0 248.330 0.985 10 0 BCAERO COCC[N@H+](C)CCNC(=O)N[C@H]1C[C@H]1C ZINC000170815464 364360221 /nfs/dbraw/zinc/36/02/21/364360221.db2.gz FFLYCDOXGMUUJJ-ZJUUUORDSA-N 1 0 229.324 0.272 10 0 BCAERO C[C@H]1OCC[C@@H]1[NH2+]CC(=O)N(C)C1CC1 ZINC000134543662 364405161 /nfs/dbraw/zinc/40/51/61/364405161.db2.gz BZGIPARBOFUAGP-SCZZXKLOSA-N 1 0 212.293 0.374 10 0 BCAERO [NH3+]CC1CCC(C[C@H]([NH3+])C(=O)[O-])CC1 ZINC000021984223 181364140 /nfs/dbraw/zinc/36/41/40/181364140.db2.gz ZYPGSVLZOKMZDE-HACHORDNSA-N 1 0 200.282 0.554 10 0 BCAERO [NH3+]CC1CCC(C[C@@H]([NH3+])C(=O)[O-])CC1 ZINC000002540044 181364247 /nfs/dbraw/zinc/36/42/47/181364247.db2.gz ZYPGSVLZOKMZDE-AMDVSUOASA-N 1 0 200.282 0.554 10 0 BCAERO [NH3+]CC1CCC(C(=O)N2CC[C@@H](O)C2)CC1 ZINC000061714161 181363811 /nfs/dbraw/zinc/36/38/11/181363811.db2.gz ARGIBWXNKKVXKA-VQXHTEKXSA-N 1 0 226.320 0.345 10 0 BCAERO CCOCCOCC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170855515 364531223 /nfs/dbraw/zinc/53/12/23/364531223.db2.gz HXGSVGMJVFGMHZ-LLVKDONJSA-N 1 0 244.335 0.202 10 0 BCAERO CCOCCC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170868705 364546763 /nfs/dbraw/zinc/54/67/63/364546763.db2.gz MLECQHROFNZVME-JTQLQIEISA-N 1 0 214.309 0.576 10 0 BCAERO CC[C@H](O)CN1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000246828823 364611693 /nfs/dbraw/zinc/61/16/93/364611693.db2.gz CROXCFRPUAOSNJ-WOPDTQHZSA-N 1 0 212.337 0.926 10 0 BCAERO [NH3+]CCC(=O)Nc1ccc(-n2cncn2)cc1 ZINC000037764802 181369207 /nfs/dbraw/zinc/36/92/07/181369207.db2.gz NCENEROVSDMTBB-UHFFFAOYSA-N 1 0 231.259 0.555 10 0 BCAERO [NH3+]CCC1(c2ccc3c(c2)OCO3)OCCO1 ZINC000049828497 181370454 /nfs/dbraw/zinc/37/04/54/181370454.db2.gz BSEDJIVXLJVCCV-UHFFFAOYSA-N 1 0 237.255 0.964 10 0 BCAERO C[C@@H]1CC(NC(=O)[C@H]2CC[NH2+]C2)C[C@@H](C)O1 ZINC000567980476 364757764 /nfs/dbraw/zinc/75/77/64/364757764.db2.gz BMVNICFFDFTHPI-BBBLOLIVSA-N 1 0 226.320 0.668 10 0 BCAERO [NH3+]CCCC(=O)N[C@H]1CCC[C@H](O)C1 ZINC000037001086 181372317 /nfs/dbraw/zinc/37/23/17/181372317.db2.gz POBABAUBBJBGHH-IUCAKERBSA-N 1 0 200.282 0.145 10 0 BCAERO COc1nc(C2=C[C@@H]([NH3+])CNC2)cs1 ZINC000675078582 541390625 /nfs/dbraw/zinc/39/06/25/541390625.db2.gz QZBHQRXUNKFFQX-SSDOTTSWSA-N 1 0 211.290 0.466 10 0 BCAERO [NH3+]CCCCCC(=O)NCc1cn[nH]c1 ZINC000038006584 181374046 /nfs/dbraw/zinc/37/40/46/181374046.db2.gz DFFRJUCIFMZUKF-UHFFFAOYSA-N 1 0 210.281 0.545 10 0 BCAERO NC(=O)[C@H]1CCCCN1C(=O)CCCCC[NH3+] ZINC000037799407 181373528 /nfs/dbraw/zinc/37/35/28/181373528.db2.gz NFFCWNYEPQTYQB-SNVBAGLBSA-N 1 0 241.335 0.372 10 0 BCAERO [NH3+]CCCCCN1C(=O)NC2(CCCC2)C1=O ZINC000049581945 181375007 /nfs/dbraw/zinc/37/50/07/181375007.db2.gz GDQFMURUKKGWOB-UHFFFAOYSA-N 1 0 239.319 0.980 10 0 BCAERO [NH3+]CCCCCNC(=O)c1cccnc1 ZINC000070626779 181375333 /nfs/dbraw/zinc/37/53/33/181375333.db2.gz KDIFFOHBVZYZEF-UHFFFAOYSA-N 1 0 207.277 0.940 10 0 BCAERO [NH3+]CCCCCCC(=O)N[C@H]1CCCNC1=O ZINC000050397781 181375342 /nfs/dbraw/zinc/37/53/42/181375342.db2.gz HZDBXMWINGETTC-JTQLQIEISA-N 1 0 241.335 0.290 10 0 BCAERO [NH3+]CCCCN1C(=O)Cc2ccccc2C1=O ZINC000037404802 181376782 /nfs/dbraw/zinc/37/67/82/181376782.db2.gz XCEJLBIQHFQWEJ-UHFFFAOYSA-N 1 0 232.283 0.950 10 0 BCAERO [NH3+]CCCCN1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000105221566 181376866 /nfs/dbraw/zinc/37/68/66/181376866.db2.gz URFIVNCPDRNDSZ-NXEZZACHSA-N 1 0 224.304 0.901 10 0 BCAERO COC(=O)[C@@H](C)NC[C@@H]1CC[C@H]([NH3+])C1 ZINC000669384997 541438588 /nfs/dbraw/zinc/43/85/88/541438588.db2.gz RTUDUEHPFGTNCA-HLTSFMKQSA-N 1 0 200.282 0.265 10 0 BCAERO C[C@@H]1C[C@H](c2cnn(CCO)c2N)CC[NH2+]1 ZINC000675053904 541433311 /nfs/dbraw/zinc/43/33/11/541433311.db2.gz AJOJSJVJORPYFN-RKDXNWHRSA-N 1 0 224.308 0.313 10 0 BCAERO [NH3+][C@]1(CO)CCCN(C(=O)C2CCC2)C1 ZINC000669385017 541438347 /nfs/dbraw/zinc/43/83/47/541438347.db2.gz SYTWIZLNWXQUOJ-LLVKDONJSA-N 1 0 212.293 0.099 10 0 BCAERO [NH3+]CCCNC(=O)c1ccc(Cl)nn1 ZINC000040808746 181382030 /nfs/dbraw/zinc/38/20/30/181382030.db2.gz AEUDKTDHCPWGPS-UHFFFAOYSA-N 1 0 214.656 0.209 10 0 BCAERO [NH3+]CCCS[C@@H]1CCS(=O)(=O)C1 ZINC000020397571 181384276 /nfs/dbraw/zinc/38/42/76/181384276.db2.gz JOIOVQFLLAQSFR-SSDOTTSWSA-N 1 0 209.336 0.256 10 0 BCAERO [NH3+]CCCS(=O)(=O)N1Cc2ccccc2C1 ZINC000050912080 181384314 /nfs/dbraw/zinc/38/43/14/181384314.db2.gz FFKODYAXQHVIES-UHFFFAOYSA-N 1 0 240.328 0.681 10 0 BCAERO [NH3+]CCCS(=O)(=O)N1CCCCCC1 ZINC000020180068 181384567 /nfs/dbraw/zinc/38/45/67/181384567.db2.gz XOBWTMVQOYENAI-UHFFFAOYSA-N 1 0 220.338 0.541 10 0 BCAERO [NH3+]CCN1CCO[C@@H](c2cccnc2)C1 ZINC000019729986 181392166 /nfs/dbraw/zinc/39/21/66/181392166.db2.gz CZWZCKBBSIZLJD-LLVKDONJSA-N 1 0 207.277 0.414 10 0 BCAERO [NH3+]CCCc1nc2c(c(=O)[nH]1)CCCC2 ZINC000070947835 181387190 /nfs/dbraw/zinc/38/71/90/181387190.db2.gz FZAULCGBFVWGIK-UHFFFAOYSA-N 1 0 207.277 0.540 10 0 BCAERO [NH3+]CCCc1nc(-c2cnccn2)n[nH]1 ZINC000061844182 181387235 /nfs/dbraw/zinc/38/72/35/181387235.db2.gz LDUFWXZWQNPYLB-UHFFFAOYSA-N 1 0 204.237 0.153 10 0 BCAERO [NH3+]CCCc1nc(-c2ccncc2)n[nH]1 ZINC000061844152 181387341 /nfs/dbraw/zinc/38/73/41/181387341.db2.gz VPTQDBONRVYURJ-UHFFFAOYSA-N 1 0 203.249 0.758 10 0 BCAERO [NH3+]CCCc1nnc(C2CCOCC2)o1 ZINC000061673853 181388288 /nfs/dbraw/zinc/38/82/88/181388288.db2.gz CUYUMHOHWFNUJT-UHFFFAOYSA-N 1 0 211.265 0.855 10 0 BCAERO [NH3+]CCN(C(=O)c1ccncc1)C1CC1 ZINC000041056765 181390039 /nfs/dbraw/zinc/39/00/39/181390039.db2.gz DDDDQIUZURZDBH-UHFFFAOYSA-N 1 0 205.261 0.645 10 0 BCAERO [NH3+]CCN1C(=O)S/C(=C/[C@H]2CCOC2)C1=O ZINC000051691217 181392276 /nfs/dbraw/zinc/39/22/76/181392276.db2.gz QXQQQLQVJUKUNR-KBUNYLKBSA-N 1 0 242.300 0.561 10 0 BCAERO [NH3+]CCNC(=O)c1cnc2ccccc2c1 ZINC000169832667 181395313 /nfs/dbraw/zinc/39/53/13/181395313.db2.gz KHKMFQRFSKMFTN-UHFFFAOYSA-N 1 0 215.256 0.923 10 0 BCAERO [NH3+]CCNC(=O)c1ccc2ncccc2c1 ZINC000061410364 181395602 /nfs/dbraw/zinc/39/56/02/181395602.db2.gz ZYYBQUSXRFTEOT-UHFFFAOYSA-N 1 0 215.256 0.923 10 0 BCAERO [NH3+]CCN[C@H]([C@@H]1CCCO1)C(F)(F)F ZINC000068576016 181396365 /nfs/dbraw/zinc/39/63/65/181396365.db2.gz ALEQPWLRXBDCMJ-NKWVEPMBSA-N 1 0 212.215 0.645 10 0 BCAERO [NH3+]CCNS(=O)(=O)C1CCCCC1 ZINC000038137065 181396999 /nfs/dbraw/zinc/39/69/99/181396999.db2.gz HIRXOMAJZZCBHB-UHFFFAOYSA-N 1 0 206.311 0.197 10 0 BCAERO [NH3+]CCN[C@H]1CS(=O)(=O)c2ccccc21 ZINC000035688494 181397341 /nfs/dbraw/zinc/39/73/41/181397341.db2.gz IYKALNNAKOMUBG-VIFPVBQESA-N 1 0 226.301 0.063 10 0 BCAERO [NH3+]CCNCc1cccc2c1OCCCO2 ZINC000037712801 181397530 /nfs/dbraw/zinc/39/75/30/181397530.db2.gz YPTBOPYOSZFNTC-UHFFFAOYSA-N 1 0 222.288 0.896 10 0 BCAERO [NH3+]CCNCc1cnc2ccccc2n1 ZINC000037712914 181397587 /nfs/dbraw/zinc/39/75/87/181397587.db2.gz XFCREIQKYZBWLJ-UHFFFAOYSA-N 1 0 202.261 0.678 10 0 BCAERO Nc1cc(Br)cnc1NCC[NH3+] ZINC000052815358 181398746 /nfs/dbraw/zinc/39/87/46/181398746.db2.gz HEDNJQPXSQATMT-UHFFFAOYSA-N 1 0 231.097 0.797 10 0 BCAERO NC(=O)c1cc(Cl)ccc1OCC[NH3+] ZINC000052859376 181399938 /nfs/dbraw/zinc/39/99/38/181399938.db2.gz SMGSRGSRDHDGTR-UHFFFAOYSA-N 1 0 214.652 0.776 10 0 BCAERO NC(=O)c1ccccc1CSCC[NH3+] ZINC000019518053 181401813 /nfs/dbraw/zinc/40/18/13/181401813.db2.gz KJDAOWPIEOMLKV-UHFFFAOYSA-N 1 0 210.302 0.977 10 0 BCAERO NC(=O)c1ccc2c(ccn2CC[NH3+])c1 ZINC000058041785 181415509 /nfs/dbraw/zinc/41/55/09/181415509.db2.gz KBMBHUXLSJBOPE-UHFFFAOYSA-N 1 0 203.245 0.699 10 0 BCAERO CN1CCC[C@@H]([NH2+]C[C@@H](O)C(C)(C)C)C1=O ZINC000575174427 365228758 /nfs/dbraw/zinc/22/87/58/365228758.db2.gz FDWGQIWHHSCODX-NXEZZACHSA-N 1 0 228.336 0.604 10 0 BCAERO C[C@@](O)(C[NH2+]CC1CC(O)C1)C(F)(F)F ZINC000379845742 365314226 /nfs/dbraw/zinc/31/42/26/365314226.db2.gz HUMYKEAASURYOQ-KAVNDROISA-N 1 0 227.226 0.660 10 0 BCAERO CN(c1ncnc2[nH]ccc21)[C@@H]1CC[NH2+]C1 ZINC000580533946 365336545 /nfs/dbraw/zinc/33/65/45/365336545.db2.gz BSLNSBXETAMQDD-MRVPVSSYSA-N 1 0 217.276 0.756 10 0 BCAERO C[C@H]1C[C@@H]([NH2+]C2CCN(CCO)CC2)CS1 ZINC000399082630 365394913 /nfs/dbraw/zinc/39/49/13/365394913.db2.gz SLUPWCNEJDOSEM-CMPLNLGQSA-N 1 0 244.404 0.927 10 0 BCAERO CCn1cc(N2C[C@H]([NH3+])CCC2=O)cn1 ZINC000685947594 541496690 /nfs/dbraw/zinc/49/66/90/541496690.db2.gz MIRQESWKYUTQIO-MRVPVSSYSA-N 1 0 208.265 0.357 10 0 BCAERO CC(C)n1cc(N2C[C@H]([NH3+])CCC2=O)cn1 ZINC000685947528 541496812 /nfs/dbraw/zinc/49/68/12/541496812.db2.gz LOKCMERCTCKGDZ-SECBINFHSA-N 1 0 222.292 0.918 10 0 BCAERO Cc1coc(-c2cnnn2[C@H]2CC[NH2+]C2)n1 ZINC000685952008 541497217 /nfs/dbraw/zinc/49/72/17/541497217.db2.gz OPTFWEYHNHWQKH-QMMMGPOBSA-N 1 0 219.248 0.776 10 0 BCAERO Cc1coc(-c2cnnn2C2C[NH2+]C2)n1 ZINC000685952134 541497507 /nfs/dbraw/zinc/49/75/07/541497507.db2.gz WKDSSTJKSCNTRQ-UHFFFAOYSA-N 1 0 205.221 0.386 10 0 BCAERO Cn1ccc(CC(=O)N2CC[C@@H]([NH+](C)C)C2)n1 ZINC000183398043 367021389 /nfs/dbraw/zinc/02/13/89/367021389.db2.gz NQTNZIVFXXMXEG-LLVKDONJSA-N 1 0 236.319 0.125 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)N2CC[C@@](C)(C[NH3+])C2)O1 ZINC000380528234 367230250 /nfs/dbraw/zinc/23/02/50/367230250.db2.gz CHOUFPHLEAQXSK-FOGDFJRCSA-N 1 0 226.320 0.751 10 0 BCAERO CC1CC(C(=O)NCCCN2CC[NH2+]CC2)C1 ZINC000581070357 367252116 /nfs/dbraw/zinc/25/21/16/367252116.db2.gz RIXUBAYNQJBBRL-UHFFFAOYSA-N 1 0 239.363 0.444 10 0 BCAERO Cc1ccc(C[NH2+]CC(C)(C)O)c(=O)n1C ZINC000381369382 367388831 /nfs/dbraw/zinc/38/88/31/367388831.db2.gz HVHRDXQVBDTWHQ-UHFFFAOYSA-N 1 0 224.304 0.554 10 0 BCAERO CCCn1ncnc1CN1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000381412918 367398110 /nfs/dbraw/zinc/39/81/10/367398110.db2.gz ZAWHXYUSRWNEIE-SDDRHHMPSA-N 1 0 249.362 0.857 10 0 BCAERO O=C1NC[C@H](C[NH2+][C@@H](CO)c2ccsc2)O1 ZINC000381792655 367458266 /nfs/dbraw/zinc/45/82/66/367458266.db2.gz ANNJDAVFQLQAGJ-IUCAKERBSA-N 1 0 242.300 0.480 10 0 BCAERO [NH3+]C[C@H]1CC[C@@H](NC(=O)[C@@H]2CCCO2)C1 ZINC000382486649 367530955 /nfs/dbraw/zinc/53/09/55/367530955.db2.gz GXIHCABRDNZBMN-AEJSXWLSSA-N 1 0 212.293 0.409 10 0 BCAERO [NH3+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCCO2)C1 ZINC000382413635 367517163 /nfs/dbraw/zinc/51/71/63/367517163.db2.gz GXIHCABRDNZBMN-LPEHRKFASA-N 1 0 212.293 0.409 10 0 BCAERO C[C@@H](O)C1CCN(C(=O)[C@@H](C)[NH2+]C2CC2)CC1 ZINC000382964365 367575807 /nfs/dbraw/zinc/57/58/07/367575807.db2.gz ACTWGLZHGRTFBC-NXEZZACHSA-N 1 0 240.347 0.746 10 0 BCAERO COCCOCC[N@@H+]1CCC[C@H](O)[C@H]1C ZINC000384838756 367740573 /nfs/dbraw/zinc/74/05/73/367740573.db2.gz IKGBMVYBWGFDCF-MNOVXSKESA-N 1 0 217.309 0.495 10 0 BCAERO [NH3+]C[C@@H]1CCCN(CC(=O)c2ccccn2)C1 ZINC000095072548 181429753 /nfs/dbraw/zinc/42/97/53/181429753.db2.gz DLZLRPMRXUPHMM-NSHDSACASA-N 1 0 233.315 0.935 10 0 BCAERO [NH3+]C[C@@H]1CCCN1C(=O)[C@H](O)c1ccccc1 ZINC000131563722 181430809 /nfs/dbraw/zinc/43/08/09/181430809.db2.gz DJWJECJKCFDMDF-NWDGAFQWSA-N 1 0 234.299 0.670 10 0 BCAERO [NH3+]C[C@@H]1CCCN1C(=O)[C@H]1CCCS1 ZINC000132868192 181431415 /nfs/dbraw/zinc/43/14/15/181431415.db2.gz REHLUZMBBLWAFP-DTWKUNHWSA-N 1 0 214.334 0.832 10 0 BCAERO CSCCNC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000069013532 370873048 /nfs/dbraw/zinc/87/30/48/370873048.db2.gz FCVSDMGDSSEKGU-HTQZYQBOSA-N 1 0 202.323 0.321 10 0 BCAERO Clc1cnc(N2CC[C@@H]3C[NH2+]C[C@@H]32)nc1 ZINC000385203203 367807668 /nfs/dbraw/zinc/80/76/68/367807668.db2.gz GDGZYZBMKBKGSC-APPZFPTMSA-N 1 0 224.695 0.928 10 0 BCAERO COc1cc(N2C[C@H]([NH3+])C[C@H]2C)ncn1 ZINC000385213410 367809280 /nfs/dbraw/zinc/80/92/80/367809280.db2.gz YEDHTDVSFWKABW-HTQZYQBOSA-N 1 0 208.265 0.411 10 0 BCAERO Cc1nc(N2CCN(C)C[C@@H]2C[NH3+])sc1C ZINC000087613854 367921577 /nfs/dbraw/zinc/92/15/77/367921577.db2.gz LRYIGTQKWOPYMZ-JTQLQIEISA-N 1 0 240.376 0.839 10 0 BCAERO CCOC(C)(C)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000630917211 367937519 /nfs/dbraw/zinc/93/75/19/367937519.db2.gz UENBYEWHTKCJKR-JTQLQIEISA-N 1 0 228.336 0.964 10 0 BCAERO CC[NH2+][C@H](C)CNC(=O)[C@@H]1CC[C@H](C)O1 ZINC000386327580 367951716 /nfs/dbraw/zinc/95/17/16/367951716.db2.gz ZMCOAHYTHPLYOD-UTLUCORTSA-N 1 0 214.309 0.668 10 0 BCAERO CCc1nnc(CN2CC[NH2+][C@@H](C)[C@H]2C)n1C ZINC000566246560 326023169 /nfs/dbraw/zinc/02/31/69/326023169.db2.gz NZOMNYOFDQCFES-VHSXEESVSA-N 1 0 237.351 0.560 10 0 BCAERO C[C@H](NC[C@@H]1CN(C)CCO1)[C@@H]1CCCC[NH2+]1 ZINC000386492989 367981752 /nfs/dbraw/zinc/98/17/52/367981752.db2.gz URLAFSQEUDZZST-XQQFMLRXSA-N 1 0 241.379 0.437 10 0 BCAERO Cc1cnc(N2CC[C@@H]3C[NH2+]C[C@@H]32)nc1C ZINC000386519641 367984961 /nfs/dbraw/zinc/98/49/61/367984961.db2.gz GPSXIIZFRQAKLB-MNOVXSKESA-N 1 0 218.304 0.892 10 0 BCAERO C[C@H]1CC[C@H](O)CN1Cc1ncnn1C ZINC000399322791 368159170 /nfs/dbraw/zinc/15/91/70/368159170.db2.gz JKXMWLNPYXSHEQ-IUCAKERBSA-N 1 0 210.281 0.160 10 0 BCAERO O=[S@]1CCC[NH2+][C@H]([C@H]2CCOC2)C1 ZINC000252834893 368162140 /nfs/dbraw/zinc/16/21/40/368162140.db2.gz SKMMDYCBRHMCBX-RVBZMBCESA-N 1 0 203.307 0.134 10 0 BCAERO C[C@H]([NH3+])C(=O)N[C@H]1CCCCC[C@@H]1O ZINC000130756871 368141141 /nfs/dbraw/zinc/14/11/41/368141141.db2.gz PRQXTCIOSGDSNL-CIUDSAMLSA-N 1 0 200.282 0.143 10 0 BCAERO [NH3+]CCN1CCN(c2cccccc2=O)CC1 ZINC000223705466 368364417 /nfs/dbraw/zinc/36/44/17/368364417.db2.gz OMEJNCSTJVKHBD-UHFFFAOYSA-N 1 0 233.315 0.128 10 0 BCAERO C[C@H](CC(N)=S)[N@@H+]1CCC[C@](C)(O)C1 ZINC000253065262 368444106 /nfs/dbraw/zinc/44/41/06/368444106.db2.gz IEZMUOOKHPVPHG-SCZZXKLOSA-N 1 0 216.350 0.898 10 0 BCAERO CCOc1nccnc1N1CC[NH2+][C@@H](C)C1 ZINC000078682777 368427054 /nfs/dbraw/zinc/42/70/54/368427054.db2.gz ZDKYLPHXZSELQC-VIFPVBQESA-N 1 0 222.292 0.673 10 0 BCAERO CC1(C)CN([C@@H]2C[NH2+]C[C@H]2O)CCS1 ZINC000253076890 368470528 /nfs/dbraw/zinc/47/05/28/368470528.db2.gz RPRKGDDJQDFUFL-RKDXNWHRSA-N 1 0 216.350 0.147 10 0 BCAERO CC[C@@H]([NH3+])C(=O)Nc1ccnc(Cl)n1 ZINC000161418015 368519357 /nfs/dbraw/zinc/51/93/57/368519357.db2.gz IFTCQEHBAWCAEF-RXMQYKEDSA-N 1 0 214.656 0.806 10 0 BCAERO C[C@@H]1COC[C@@H](CC(=O)[C@H]2CCOC2)[NH2+]1 ZINC000253172250 368590572 /nfs/dbraw/zinc/59/05/72/368590572.db2.gz JVHHWUMDQHHYPP-KXUCPTDWSA-N 1 0 213.277 0.359 10 0 BCAERO C[C@H](C(N)=S)[N@@H+]1CC[C@H](O)[C@H](C)C1 ZINC000253178129 368594182 /nfs/dbraw/zinc/59/41/82/368594182.db2.gz HCMJLXHSOJCZON-PRJMDXOYSA-N 1 0 202.323 0.364 10 0 BCAERO COCC[C@H](C)NC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000081711101 368615501 /nfs/dbraw/zinc/61/55/01/368615501.db2.gz KIKLAYGUMFPIAS-QWRGUYRKSA-N 1 0 228.336 0.917 10 0 BCAERO CCOc1cc(N(C)CCC[NH3+])ncn1 ZINC000085482486 368865740 /nfs/dbraw/zinc/86/57/40/368865740.db2.gz SBMNKEWTLUNBKD-UHFFFAOYSA-N 1 0 210.281 0.660 10 0 BCAERO Cc1cccc(N(C)S(C)(=O)=O)c1C[NH3+] ZINC000115763529 369007272 /nfs/dbraw/zinc/00/72/72/369007272.db2.gz MTOXUOBXLFFUJO-UHFFFAOYSA-N 1 0 228.317 0.850 10 0 BCAERO CN(Cc1nccn1C)C(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000091544627 369013591 /nfs/dbraw/zinc/01/35/91/369013591.db2.gz DRMNDOZVZWCTHF-VHSXEESVSA-N 1 0 236.319 0.506 10 0 BCAERO CN(Cc1nccn1C)C(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000091544625 369014315 /nfs/dbraw/zinc/01/43/15/369014315.db2.gz DRMNDOZVZWCTHF-UWVGGRQHSA-N 1 0 236.319 0.506 10 0 BCAERO CCc1nnc(CN2C[C@H](C)[C@H](C[NH3+])C2)n1C ZINC000631837373 369094207 /nfs/dbraw/zinc/09/42/07/369094207.db2.gz AWKQDJPWOLVZCL-VHSXEESVSA-N 1 0 237.351 0.404 10 0 BCAERO [NH3+]C[C@@](O)(c1cncc(F)c1)C(F)(F)F ZINC000062784790 181440362 /nfs/dbraw/zinc/44/03/62/181440362.db2.gz ONTHQHKVDMXJOV-SSDOTTSWSA-N 1 0 224.157 0.929 10 0 BCAERO [NH3+]C[C@@]1(Cc2ccccc2)CCS(=O)(=O)C1 ZINC000054634906 181440574 /nfs/dbraw/zinc/44/05/74/181440574.db2.gz GRLGRHQERGIXFN-LBPRGKRZSA-N 1 0 239.340 0.993 10 0 BCAERO NC(=O)N1C[C@H](C[NH3+])Nc2ccccc21 ZINC000616692939 369115680 /nfs/dbraw/zinc/11/56/80/369115680.db2.gz XOFZWJKDXVZNNU-ZETCQYMHSA-N 1 0 206.249 0.325 10 0 BCAERO [NH3+]CCN1CCCO[C@H](c2ccno2)C1 ZINC000616678525 369110983 /nfs/dbraw/zinc/11/09/83/369110983.db2.gz IAYAXNCCAFFKDQ-JTQLQIEISA-N 1 0 211.265 0.397 10 0 BCAERO Cc1nc(C[NH2+][C@H]2CCOC[C@@H]2O)[nH]c1C ZINC000623767359 369389435 /nfs/dbraw/zinc/38/94/35/369389435.db2.gz UPOMPPXUSPUOEB-UWVGGRQHSA-N 1 0 225.292 0.266 10 0 BCAERO Cn1ncc(NCC[NH2+]C2CC2)c(Cl)c1=O ZINC000123149445 369400436 /nfs/dbraw/zinc/40/04/36/369400436.db2.gz LEQLRLZMVCWYGB-UHFFFAOYSA-N 1 0 242.710 0.598 10 0 BCAERO O[C@H]1COCC[C@@H]1[NH2+]Cc1cncs1 ZINC000623767657 369401449 /nfs/dbraw/zinc/40/14/49/369401449.db2.gz ZNMMXVWFLOLSCN-IUCAKERBSA-N 1 0 214.290 0.383 10 0 BCAERO CCCn1nccc1C[NH2+][C@H]1CCOC[C@@H]1O ZINC000623767703 369402873 /nfs/dbraw/zinc/40/28/73/369402873.db2.gz ZZKDUDSOWPHVCK-RYUDHWBXSA-N 1 0 239.319 0.533 10 0 BCAERO O=C(c1ccc[nH]1)N1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC000404045897 369417095 /nfs/dbraw/zinc/41/70/95/369417095.db2.gz IUHIGIYYEFWKGH-QWRGUYRKSA-N 1 0 235.287 0.218 10 0 BCAERO CC(C)[C@H](C)C(=O)N1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC000403999635 369417738 /nfs/dbraw/zinc/41/77/38/369417738.db2.gz MLQXBERXMMQMEU-TUAOUCFPSA-N 1 0 240.347 0.868 10 0 BCAERO CC1(C)C[C@@H]1C(=O)N1CC[C@H]2OCC[NH2+][C@@H]2C1 ZINC000404037809 369417808 /nfs/dbraw/zinc/41/78/08/369417808.db2.gz ZHBNNDUPNVRRDK-GMTAPVOTSA-N 1 0 238.331 0.622 10 0 BCAERO CC(C)OCCN1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC000404181857 369422277 /nfs/dbraw/zinc/42/22/77/369422277.db2.gz IDMPIDFSLWAGCF-RYUDHWBXSA-N 1 0 228.336 0.474 10 0 BCAERO c1csc(CN2CC[C@@H]3OCC[NH2+][C@H]3C2)n1 ZINC000404200717 369422982 /nfs/dbraw/zinc/42/29/82/369422982.db2.gz PLCMOVGIHRWDQU-UWVGGRQHSA-N 1 0 239.344 0.706 10 0 BCAERO CCOCCN1CC[C@H]2OCC[NH2+][C@H]2C1 ZINC000404229359 369423810 /nfs/dbraw/zinc/42/38/10/369423810.db2.gz PGOKVLRVCDQMBH-WDEREUQCSA-N 1 0 214.309 0.086 10 0 BCAERO Cc1ncccc1CN1CC[C@H]2OCC[NH2+][C@H]2C1 ZINC000404283614 369425336 /nfs/dbraw/zinc/42/53/36/369425336.db2.gz WNTZEVORXZOADH-UONOGXRCSA-N 1 0 247.342 0.953 10 0 BCAERO CCn1c(C)nnc1CN1C[C@@H]([NH3+])C[C@@H]1C ZINC000631860416 369468065 /nfs/dbraw/zinc/46/80/65/369468065.db2.gz KDHBHVPBAUFDPI-WPRPVWTQSA-N 1 0 223.324 0.528 10 0 BCAERO COC(=O)[C@@H]1C[N@@H+]([C@@H]2CCC[C@H]2O)C[C@H]1C ZINC000251862523 369979454 /nfs/dbraw/zinc/97/94/54/369979454.db2.gz SPWLGRZFLDIVQV-GWOFURMSSA-N 1 0 227.304 0.641 10 0 BCAERO C[C@H]([NH3+])c1c(Br)nnn1C ZINC000215240281 370170195 /nfs/dbraw/zinc/17/01/95/370170195.db2.gz WSKGLMLYRNKSQX-VKHMYHEASA-N 1 0 205.059 0.597 10 0 BCAERO C[NH2+]CCn1nncc1Br ZINC000215240464 370170647 /nfs/dbraw/zinc/17/06/47/370170647.db2.gz WVCWRRZKTNCMIS-UHFFFAOYSA-N 1 0 205.059 0.260 10 0 BCAERO [NH3+]Cc1nc(CN2CCS(=O)CC2)cs1 ZINC000052516339 181501216 /nfs/dbraw/zinc/50/12/16/181501216.db2.gz BNHJPSYVBBKMIX-UHFFFAOYSA-N 1 0 245.373 0.166 10 0 BCAERO COc1cc(N2CC[C@H]3C[NH2+]C[C@H]3CC2)ncn1 ZINC000310839042 370367976 /nfs/dbraw/zinc/36/79/76/370367976.db2.gz KFSBTIKRZXSRBY-PHIMTYICSA-N 1 0 248.330 0.921 10 0 BCAERO COC[C@H]([NH3+])C(=O)NCC1CC(C)C1 ZINC000621672674 370423293 /nfs/dbraw/zinc/42/32/93/370423293.db2.gz ORNBHLASLOEYOJ-HACHORDNSA-N 1 0 200.282 0.122 10 0 BCAERO COC[C@@H]([NH3+])C(=O)NCC[C@@H]1CC1(F)F ZINC000621671592 370423539 /nfs/dbraw/zinc/42/35/39/370423539.db2.gz YJDXRRRERHACMW-RNFRBKRXSA-N 1 0 222.235 0.122 10 0 BCAERO CO[C@H]1C[NH2+][C@@H](C(=O)NCC2CC(C)C2)C1 ZINC000621676477 370428074 /nfs/dbraw/zinc/42/80/74/370428074.db2.gz OOEBWEMQAOWHBM-JPPWEJMLSA-N 1 0 226.320 0.526 10 0 BCAERO Cc1nccnc1C[N@@H+]1CC[C@H](CCO)C1 ZINC000621716912 370464723 /nfs/dbraw/zinc/46/47/23/370464723.db2.gz QEMIQHJTMJABRL-LLVKDONJSA-N 1 0 221.304 0.989 10 0 BCAERO C[NH+](C)[C@H]1CCN(CC(=O)OC(C)(C)C)C1 ZINC000312980312 370557721 /nfs/dbraw/zinc/55/77/21/370557721.db2.gz PSQTXTUVWXQRSM-JTQLQIEISA-N 1 0 228.336 0.964 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)N2CCCO[C@@H](C[NH3+])C2)O1 ZINC000313359838 370581345 /nfs/dbraw/zinc/58/13/45/370581345.db2.gz WABANEZROCBHAI-OUAUKWLOSA-N 1 0 242.319 0.130 10 0 BCAERO COC[C@H]([NH3+])C(=O)NCCCC(C)(C)C ZINC000313469943 370588882 /nfs/dbraw/zinc/58/88/82/370588882.db2.gz MVWPNEUOXUWRPM-VIFPVBQESA-N 1 0 216.325 0.903 10 0 BCAERO O[C@H]1COCC[C@H]1[NH2+]Cc1cccs1 ZINC000623765117 371086052 /nfs/dbraw/zinc/08/60/52/371086052.db2.gz NYGPYZBLUWSCLO-ZJUUUORDSA-N 1 0 213.302 0.988 10 0 BCAERO COC(=O)c1ccc(N2CC[C@H](C[NH3+])C2)nc1C ZINC000124433102 371189592 /nfs/dbraw/zinc/18/95/92/371189592.db2.gz BYSTVVXISNIQKE-SNVBAGLBSA-N 1 0 249.314 0.962 10 0 BCAERO [NH3+][C@@H](CO)c1cncc(Br)c1 ZINC000095636592 181550601 /nfs/dbraw/zinc/55/06/01/181550601.db2.gz FIVFUVIGLMTVPC-ZETCQYMHSA-N 1 0 217.066 0.836 10 0 BCAERO [NH3+][C@@H]1CCCC[C@@H]1NC(=O)c1cn[nH]c1 ZINC000038048763 181574298 /nfs/dbraw/zinc/57/42/98/181574298.db2.gz GLGMGQXFMXORRQ-BDAKNGLRSA-N 1 0 208.265 0.409 10 0 BCAERO [NH3+][C@@H]1CCC[C@H](C(=O)NC[C@H]2CCC[C@@H]2O)C1 ZINC000250668157 181583921 /nfs/dbraw/zinc/58/39/21/181583921.db2.gz SRYYGLUAFLGDLB-QCNOEVLYSA-N 1 0 240.347 0.781 10 0 BCAERO [NH3+][C@@H]1CC[C@@H]1NS(=O)(=O)Cc1ccccc1 ZINC000072171715 181591975 /nfs/dbraw/zinc/59/19/75/181591975.db2.gz KRRIARJVNNSXJD-MNOVXSKESA-N 1 0 240.328 0.596 10 0 BCAERO Cc1nn(C)cc1CN1CCC[C@@H]1C[NH3+] ZINC000020315795 371265311 /nfs/dbraw/zinc/26/53/11/371265311.db2.gz ZFXROVHLUZVRBK-LLVKDONJSA-N 1 0 208.309 0.652 10 0 BCAERO [NH3+][C@H](Cc1ccccc1)[C@@H](O)Cn1cccn1 ZINC000034874509 181626549 /nfs/dbraw/zinc/62/65/49/181626549.db2.gz ADBGPIQTJOZKCM-OLZOCXBDSA-N 1 0 231.299 0.814 10 0 BCAERO [NH3+][C@H]1CCCC[C@@H]1NC(=O)CCn1cncn1 ZINC000038048573 181640763 /nfs/dbraw/zinc/64/07/63/181640763.db2.gz FPTZTTNYNZOZEC-UWVGGRQHSA-N 1 0 237.307 0.054 10 0 BCAERO [NH3+][C@H]1CCCC[C@@H]1NCC(=O)c1cnccn1 ZINC000095072264 181641662 /nfs/dbraw/zinc/64/16/62/181641662.db2.gz HYTZHOSFAYNBGC-UWVGGRQHSA-N 1 0 234.303 0.519 10 0 BCAERO [NH3+][C@H]1CCCC[C@H]1NS(=O)(=O)N1CCCC1 ZINC000038050391 181642703 /nfs/dbraw/zinc/64/27/03/181642703.db2.gz LOODPLPJVMYTIX-VHSXEESVSA-N 1 0 247.364 0.187 10 0 BCAERO [NH3+][C@H]1CCCN(C(=O)c2ccc(=O)oc2)C1 ZINC000041028571 181643382 /nfs/dbraw/zinc/64/33/82/181643382.db2.gz OOWUKEKMQUMUCY-VIFPVBQESA-N 1 0 222.244 0.203 10 0 BCAERO [NH3+][C@H]1CCC[C@@H](C(=O)NCC(F)F)C1 ZINC000149211757 181645358 /nfs/dbraw/zinc/64/53/58/181645358.db2.gz BINMJWJGYRUKOI-RQJHMYQMSA-N 1 0 206.236 0.885 10 0 BCAERO Nc1cc(C[NH+]2CCC(O)CC2)ccc1O ZINC000037272330 181681490 /nfs/dbraw/zinc/68/14/90/181681490.db2.gz YGZCLUJDDIBHSE-UHFFFAOYSA-N 1 0 222.288 0.931 10 0 BCAERO COCC[C@H](C)[NH2+][C@H]1CCOC[C@@H]1O ZINC000624236425 371423401 /nfs/dbraw/zinc/42/34/01/371423401.db2.gz CEHWDUMDNISOPC-GUBZILKMSA-N 1 0 203.282 0.151 10 0 BCAERO COC[C@H]([NH2+][C@H]1CCOC[C@@H]1O)C(C)C ZINC000624236527 371423549 /nfs/dbraw/zinc/42/35/49/371423549.db2.gz DYVSFMUJAPCTDK-DCAQKATOSA-N 1 0 217.309 0.397 10 0 BCAERO CCOC[C@H](C)[NH2+][C@H]1CCOC[C@H]1O ZINC000624237394 371424655 /nfs/dbraw/zinc/42/46/55/371424655.db2.gz WKYNDLYCADJAFM-LPEHRKFASA-N 1 0 203.282 0.151 10 0 BCAERO C[C@H]([NH2+][C@@H]1CCOC[C@@H]1O)[C@@H]1CCCO1 ZINC000624238049 371426173 /nfs/dbraw/zinc/42/61/73/371426173.db2.gz JEIBGAFYXYZKHD-VLEAKVRGSA-N 1 0 215.293 0.293 10 0 BCAERO O[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000624238029 371426245 /nfs/dbraw/zinc/42/62/45/371426245.db2.gz IWOPOGSSFBQHMI-MTVMDMGHSA-N 1 0 211.305 0.914 10 0 BCAERO CC1(C)C[C@H]([NH2+][C@@H]2CCOC[C@@H]2O)CO1 ZINC000624239790 371426888 /nfs/dbraw/zinc/42/68/88/371426888.db2.gz ULBZYYBQUBXRCO-AEJSXWLSSA-N 1 0 215.293 0.293 10 0 BCAERO C[C@H]([NH2+][C@H]1CCOC[C@@H]1O)c1cscn1 ZINC000624238583 371427387 /nfs/dbraw/zinc/42/73/87/371427387.db2.gz UICDGOQBFKNMJV-NRPADANISA-N 1 0 228.317 0.944 10 0 BCAERO CSCCNC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000393227546 371503574 /nfs/dbraw/zinc/50/35/74/371503574.db2.gz ZCMSSEHXDQRFDW-NKWVEPMBSA-N 1 0 206.286 0.166 10 0 BCAERO O=S(=O)(N[C@H]1CCC[NH2+]CC1)C(F)F ZINC000226462045 371512310 /nfs/dbraw/zinc/51/23/10/371512310.db2.gz CPHGTCNBGYNPEI-LURJTMIESA-N 1 0 228.264 0.271 10 0 BCAERO [NH3+]CC[C@@H](O)C(F)(F)Br ZINC000225664051 371563754 /nfs/dbraw/zinc/56/37/54/371563754.db2.gz VKDJENVGGAZZGH-GSVOUGTGSA-N 1 0 204.014 0.684 10 0 BCAERO Cn1nnc(Br)c1CCC[NH3+] ZINC000216016437 371680210 /nfs/dbraw/zinc/68/02/10/371680210.db2.gz MMOGJXLKRGZZGL-UHFFFAOYSA-N 1 0 219.086 0.469 10 0 BCAERO [NH3+]C1(C(=O)Cc2cn3ccsc3n2)CC1 ZINC000226435747 371667780 /nfs/dbraw/zinc/66/77/80/371667780.db2.gz FKSHZECZMREJIT-UHFFFAOYSA-N 1 0 221.285 0.999 10 0 BCAERO CC(C)C(=O)N1C[C@@H](C)O[C@H](C[NH3+])C1 ZINC000230058519 371643162 /nfs/dbraw/zinc/64/31/62/371643162.db2.gz CYGBVCRMRJKDEW-RKDXNWHRSA-N 1 0 200.282 0.217 10 0 BCAERO CC(C)C(=O)N1C[C@@H](C)O[C@@H](C[NH3+])C1 ZINC000230058512 371643391 /nfs/dbraw/zinc/64/33/91/371643391.db2.gz CYGBVCRMRJKDEW-BDAKNGLRSA-N 1 0 200.282 0.217 10 0 BCAERO CC[C@@]1(C(=O)c2cnn(C)c2)CC[NH2+]C1 ZINC000226348513 371650825 /nfs/dbraw/zinc/65/08/25/371650825.db2.gz HJPCYUFHNFODQG-LLVKDONJSA-N 1 0 207.277 0.993 10 0 BCAERO O=S1(=O)CCCCN1C[C@@H]1CC[NH2+]C1 ZINC000162653719 371741400 /nfs/dbraw/zinc/74/14/00/371741400.db2.gz PAHSRNDYVMAQEG-SECBINFHSA-N 1 0 218.322 0.022 10 0 BCAERO CS(=O)(=O)N1CCC[C@H](CC[NH3+])CC1 ZINC000216219997 371721043 /nfs/dbraw/zinc/72/10/43/371721043.db2.gz MGFZILUSUUVZJN-SECBINFHSA-N 1 0 220.338 0.397 10 0 BCAERO CCn1cc(C(=O)C2=CC[C@H]([NH3+])C2)cn1 ZINC000226560506 371697190 /nfs/dbraw/zinc/69/71/90/371697190.db2.gz DSPWLGBIVPLPAG-SCZZXKLOSA-N 1 0 205.261 0.989 10 0 BCAERO C[C@H]1C[NH2+]C[C@@H]1NS(=O)(=O)C(C)(C)C ZINC000162501625 371700575 /nfs/dbraw/zinc/70/05/75/371700575.db2.gz KWDDZOONXGYAGK-YUMQZZPRSA-N 1 0 220.338 0.312 10 0 BCAERO Cc1cnc(N)c(C(=O)C2(C[NH3+])CC2)c1 ZINC000226797185 371744869 /nfs/dbraw/zinc/74/48/69/371744869.db2.gz FCLWABGSXUWXSV-UHFFFAOYSA-N 1 0 205.261 0.894 10 0 BCAERO Brc1cnnn1C[C@H]1CCC[NH2+]1 ZINC000216725553 371795543 /nfs/dbraw/zinc/79/55/43/371795543.db2.gz UVTIZYNEVVHTME-ZCFIWIBFSA-N 1 0 231.097 0.793 10 0 BCAERO C[N@@H+]1CCC[C@H]2CN(C(N)=S)CC[C@H]21 ZINC000227331581 371835698 /nfs/dbraw/zinc/83/56/98/371835698.db2.gz ZWMYENBMWWOAGJ-DTWKUNHWSA-N 1 0 213.350 0.646 10 0 BCAERO [NH3+]CCS(=O)(=O)COCc1ccccc1 ZINC000230091692 371843929 /nfs/dbraw/zinc/84/39/29/371843929.db2.gz TXWVLFBQNCDBLN-UHFFFAOYSA-N 1 0 229.301 0.534 10 0 BCAERO C[C@H](CO)Sc1cc(NN)[nH+]cn1 ZINC000162950692 371892675 /nfs/dbraw/zinc/89/26/75/371892675.db2.gz VMVPGHYKSQNPBW-RXMQYKEDSA-N 1 0 200.267 0.235 10 0 BCAERO COC(=O)[C@@H]1C[N@@H+]([C@@H]2CCOC2)C[C@@H]1C ZINC000227823954 371943389 /nfs/dbraw/zinc/94/33/89/371943389.db2.gz KJGJNYZQZCHLHQ-IVZWLZJFSA-N 1 0 213.277 0.516 10 0 BCAERO Cn1nnc(Br)c1C[C@H]1CCC[NH2+]1 ZINC000217494970 371966356 /nfs/dbraw/zinc/96/63/56/371966356.db2.gz BUHVIOGPVSRHHW-ZCFIWIBFSA-N 1 0 245.124 0.872 10 0 BCAERO Cn1nnc(Br)c1C[C@@H]1CCC[NH2+]1 ZINC000217494899 371966393 /nfs/dbraw/zinc/96/63/93/371966393.db2.gz BUHVIOGPVSRHHW-LURJTMIESA-N 1 0 245.124 0.872 10 0 BCAERO NC(=O)[C@@H](N)c1sccc1Br ZINC000228006904 371971389 /nfs/dbraw/zinc/97/13/89/371971389.db2.gz LVCBDRALQCHBAI-BYPYZUCNSA-N 1 0 235.106 0.996 10 0 BCAERO C[N@H+]([C@@H]1CCC[C@]1(C)O)C(C)(C)CO ZINC000306195460 371998254 /nfs/dbraw/zinc/99/82/54/371998254.db2.gz YYOCDOGWSBCZDG-KOLCDFICSA-N 1 0 201.310 0.993 10 0 BCAERO Cc1nnc(C(=O)[C@H]2CCCC[NH2+]2)n1C ZINC000306549178 372034367 /nfs/dbraw/zinc/03/43/67/372034367.db2.gz BXNPJCVSZIQTND-MRVPVSSYSA-N 1 0 208.265 0.448 10 0 BCAERO C[C@@](O)(c1cnc(N)s1)[C@H]1CC[NH2+]C1 ZINC000306587267 372040183 /nfs/dbraw/zinc/04/01/83/372040183.db2.gz UQVOSLOPYOSVSM-RCOVLWMOSA-N 1 0 213.306 0.542 10 0 BCAERO C[C@@H]([NH3+])[C@@](C)(O)c1c(Cl)cnn1C ZINC000306660536 372052558 /nfs/dbraw/zinc/05/25/58/372052558.db2.gz MXXKJXUNIGILSP-SVGQVSJJSA-N 1 0 203.673 0.628 10 0 BCAERO CC[C@H]([NH3+])C(=O)N1CCCOC[C@H]1C ZINC000306691747 372055618 /nfs/dbraw/zinc/05/56/18/372055618.db2.gz QNYFVIDONUMTRT-BDAKNGLRSA-N 1 0 200.282 0.361 10 0 BCAERO O=[S@@](C[C@@H]1C[NH2+]CCO1)C1CCCC1 ZINC000307276137 372106395 /nfs/dbraw/zinc/10/63/95/372106395.db2.gz USPHBSILSBXULQ-XPTSAGLGSA-N 1 0 217.334 0.666 10 0 BCAERO C[C@]1(CN=S(C)(C)=O)COC[C@@H]1[NH3+] ZINC000307292247 372108969 /nfs/dbraw/zinc/10/89/69/372108969.db2.gz BKYHOSLMWZNERV-YUMQZZPRSA-N 1 0 206.311 0.078 10 0 BCAERO C[C@H]1CCSC(NCCC(N)=O)=[NH+]1 ZINC000133505247 372065995 /nfs/dbraw/zinc/06/59/95/372065995.db2.gz PIBWJQIGLKKDAM-LURJTMIESA-N 1 0 201.295 0.333 10 0 BCAERO [NH3+][C@@H](CO)CNc1ccc(Cl)cn1 ZINC000306875315 372074324 /nfs/dbraw/zinc/07/43/24/372074324.db2.gz GZNMMMXLOGXIRZ-SSDOTTSWSA-N 1 0 201.657 0.467 10 0 BCAERO O=C1C[C@H]([NH2+]C2CCSCC2)CN1 ZINC000228982000 372100758 /nfs/dbraw/zinc/10/07/58/372100758.db2.gz NBJYLIPANKZQKX-QMMMGPOBSA-N 1 0 200.307 0.360 10 0 BCAERO CC[N@@H+]1C[C@H](C)[C@H](NC(=S)NC)C1 ZINC000307759633 372144089 /nfs/dbraw/zinc/14/40/89/372144089.db2.gz SLLDSVYJZVNLQH-JGVFFNPUSA-N 1 0 201.339 0.421 10 0 BCAERO O=C(C1CC[NH2+]CC1)N1CCC[C@@H](CO)C1 ZINC000036227388 181871007 /nfs/dbraw/zinc/87/10/07/181871007.db2.gz ABYCFZRMCNRKTQ-SNVBAGLBSA-N 1 0 226.320 0.217 10 0 BCAERO C[C@@H]1C[C@H](C)[C@@H](C)[N@H+](C[C@@H](N)CO)C1 ZINC000229537839 372161792 /nfs/dbraw/zinc/16/17/92/372161792.db2.gz UFFLQVXFFCBYAY-LMLFDSFASA-N 1 0 200.326 0.672 10 0 BCAERO [NH3+][C@@]1(CCO)CCO[C@@H](C(F)(F)F)C1 ZINC000307609753 372130150 /nfs/dbraw/zinc/13/01/50/372130150.db2.gz DYYYRVNKWHCEQE-RQJHMYQMSA-N 1 0 213.199 0.808 10 0 BCAERO O=C(CC(F)(F)F)N[C@@H]1CCC[NH2+]C1 ZINC000019271543 181881128 /nfs/dbraw/zinc/88/11/28/181881128.db2.gz HKXZLUWKRDPAEC-ZCFIWIBFSA-N 1 0 210.199 0.807 10 0 BCAERO CC(C)S(=O)(=O)[C@@H]1CCCC[NH2+]C1 ZINC000229794776 372194943 /nfs/dbraw/zinc/19/49/43/372194943.db2.gz BGCHPMYIBOYFGT-SECBINFHSA-N 1 0 205.323 0.952 10 0 BCAERO CC(C)(C)OC(=O)NCCCNC1=[NH+]CCN1 ZINC000134349216 372198465 /nfs/dbraw/zinc/19/84/65/372198465.db2.gz WZPYCRFNVFGRRA-UHFFFAOYSA-N 1 0 242.323 0.450 10 0 BCAERO COCC[N@H+](C)CCNC(=O)N[C@@H](C)C(C)C ZINC000171190198 372441388 /nfs/dbraw/zinc/44/13/88/372441388.db2.gz JJTZUBZVTPLMEM-NSHDSACASA-N 1 0 245.367 0.908 10 0 BCAERO O=C(CC[C@@H]1CCC[NH2+]C1)N1CC[C@@H](O)C1 ZINC000061712323 181923663 /nfs/dbraw/zinc/92/36/63/181923663.db2.gz HRLZEZSOHHBKJK-WDEREUQCSA-N 1 0 226.320 0.359 10 0 BCAERO O=C(CC[NH2+]C1(CO)CCCCC1)NC1CC1 ZINC000054049886 181919207 /nfs/dbraw/zinc/91/92/07/181919207.db2.gz QMFMKMQRCHDDNJ-UHFFFAOYSA-N 1 0 240.347 0.940 10 0 BCAERO Cc1nccnc1CN1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000631823729 372601827 /nfs/dbraw/zinc/60/18/27/372601827.db2.gz MNBIRPMPMLKKFQ-TUAOUCFPSA-N 1 0 232.331 0.954 10 0 BCAERO C[C@@H]1CN(Cc2ccnn2C)C[C@@H]1C[NH3+] ZINC000631836849 372625379 /nfs/dbraw/zinc/62/53/79/372625379.db2.gz HYKRDTOHVAYECA-ZJUUUORDSA-N 1 0 208.309 0.447 10 0 BCAERO CC(C)CNC(=O)[C@H](C)N1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631840390 372636469 /nfs/dbraw/zinc/63/64/69/372636469.db2.gz BVACNBHYYYBLEB-SRVKXCTJSA-N 1 0 241.379 0.674 10 0 BCAERO CC(C)CNC(=O)[C@H](C)N1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631840391 372636506 /nfs/dbraw/zinc/63/65/06/372636506.db2.gz BVACNBHYYYBLEB-WOPDTQHZSA-N 1 0 241.379 0.674 10 0 BCAERO C[C@@H]1CN(Cc2noc(C3CC3)n2)C[C@@H]1C[NH3+] ZINC000631841937 372639143 /nfs/dbraw/zinc/63/91/43/372639143.db2.gz RZUCJNZQAGZPFZ-SCZZXKLOSA-N 1 0 236.319 0.974 10 0 BCAERO C[C@H]1CN(Cc2nc(C3CC3)no2)C[C@@H]1C[NH3+] ZINC000631842002 372640369 /nfs/dbraw/zinc/64/03/69/372640369.db2.gz SUQCOOWFYNYEPY-WPRPVWTQSA-N 1 0 236.319 0.974 10 0 BCAERO CCc1nnc(CN2C[C@H]([NH3+])C[C@@H]2C)n1C ZINC000631862595 372663240 /nfs/dbraw/zinc/66/32/40/372663240.db2.gz RMYASMWURGCZNR-DTWKUNHWSA-N 1 0 223.324 0.299 10 0 BCAERO CCc1nnc(CN2C[C@@H]([NH3+])C[C@H]2C)n1C ZINC000631862594 372665186 /nfs/dbraw/zinc/66/51/86/372665186.db2.gz RMYASMWURGCZNR-BDAKNGLRSA-N 1 0 223.324 0.299 10 0 BCAERO CCCS(=O)(=O)N1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631968388 372703581 /nfs/dbraw/zinc/70/35/81/372703581.db2.gz UUPVVROQFMZKJV-IUCAKERBSA-N 1 0 220.338 0.253 10 0 BCAERO CCN(CC)C(=O)N1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631968074 372706568 /nfs/dbraw/zinc/70/65/68/372706568.db2.gz RDCSQPWNZQGDKX-ZJUUUORDSA-N 1 0 213.325 0.975 10 0 BCAERO O=C(CN1CC[NH2+]CC1)c1cccc(F)c1 ZINC000050145304 181964758 /nfs/dbraw/zinc/96/47/58/181964758.db2.gz FDAYSJLKLJCLHD-UHFFFAOYSA-N 1 0 222.263 0.914 10 0 BCAERO O=C(C[NH2+][C@@H]1CCCCC[C@H]1O)NC1CC1 ZINC000037892661 181979565 /nfs/dbraw/zinc/97/95/65/181979565.db2.gz DYZLXQFPKJTAHI-GHMZBOCLSA-N 1 0 226.320 0.548 10 0 BCAERO O=C(CO[C@H]1CC[NH2+]C1)N1CCCCCC1 ZINC000051782510 181999648 /nfs/dbraw/zinc/99/96/48/181999648.db2.gz GMPUCCIJMXZJIZ-NSHDSACASA-N 1 0 226.320 0.768 10 0 BCAERO O=C(C[C@@H]1CCC[NH2+]1)N1CCCC[C@H]1CO ZINC000042166192 182018319 /nfs/dbraw/zinc/01/83/19/182018319.db2.gz CBBCAXSLXAZOIF-QWRGUYRKSA-N 1 0 226.320 0.502 10 0 BCAERO O=C(C[C@@H]1CCC[NH2+]C1)N1CCC[C@H]1CO ZINC000054291185 182018737 /nfs/dbraw/zinc/01/87/37/182018737.db2.gz CZEHHJSNCHGDRE-QWRGUYRKSA-N 1 0 226.320 0.359 10 0 BCAERO O=C(C[C@@H]1CCC[NH2+]C1)N1CCC[C@H](O)C1 ZINC000054291314 182018807 /nfs/dbraw/zinc/01/88/07/182018807.db2.gz AEMXMVGHSOPTFR-QWRGUYRKSA-N 1 0 226.320 0.359 10 0 BCAERO CN([C@H]1CCCC[C@@H]1[NH3+])S(C)(=O)=O ZINC000141264096 372906670 /nfs/dbraw/zinc/90/66/70/372906670.db2.gz FLZXSVDQJZDFTQ-YUMQZZPRSA-N 1 0 206.311 0.148 10 0 BCAERO O=C(C[C@H]1CCCC[NH2+]1)N1CCS(=O)CC1 ZINC000049692896 182026913 /nfs/dbraw/zinc/02/69/13/182026913.db2.gz UNKFEDPZVILQFN-SNVBAGLBSA-N 1 0 244.360 0.110 10 0 BCAERO O=C(C[C@H]1CCCC[NH2+]1)NC1CCOCC1 ZINC000036319917 182027473 /nfs/dbraw/zinc/02/74/73/182027473.db2.gz DDXSCFSNKAEMAE-LLVKDONJSA-N 1 0 226.320 0.814 10 0 BCAERO O=C(C[C@H]1CCCC[NH2+]1)NC[C@@H]1COCCO1 ZINC000038063072 182027556 /nfs/dbraw/zinc/02/75/56/182027556.db2.gz XYHVMOVBTOBOOL-GHMZBOCLSA-N 1 0 242.319 0.050 10 0 BCAERO O=C1C(C[NH2+]CCO)=CC2=CC=C[C@@H]3CCN1[C@H]23 ZINC000039287405 372930134 /nfs/dbraw/zinc/93/01/34/372930134.db2.gz SEWUJGNIPPMCNV-MFKMUULPSA-N 1 0 246.310 0.222 10 0 BCAERO O=C1C(C[NH2+]CCO)=CC2=CC=C[C@H]3CCN1[C@@H]23 ZINC000039287407 372930411 /nfs/dbraw/zinc/93/04/11/372930411.db2.gz SEWUJGNIPPMCNV-GXFFZTMASA-N 1 0 246.310 0.222 10 0 BCAERO O=C(C[C@H]1CCC[NH2+]C1)Nc1cn[nH]c1 ZINC000054306109 182028406 /nfs/dbraw/zinc/02/84/06/182028406.db2.gz XWSBENDQVVKJKM-MRVPVSSYSA-N 1 0 208.265 0.738 10 0 BCAERO O=C(C[C@H]1CCC[NH2+]1)Nc1cnccn1 ZINC000042166291 182028567 /nfs/dbraw/zinc/02/85/67/182028567.db2.gz KZORXXUHLXIHBD-MRVPVSSYSA-N 1 0 206.249 0.557 10 0 BCAERO O=C(C[C@H]1CCC[NH2+]1)NC[C@H](O)C(F)(F)F ZINC000226321306 182028757 /nfs/dbraw/zinc/02/87/57/182028757.db2.gz LVJLWPZGRMVYMF-RQJHMYQMSA-N 1 0 240.225 0.168 10 0 BCAERO Cn1nnc(Br)c1/C=C\C[NH3+] ZINC000379288106 372967378 /nfs/dbraw/zinc/96/73/78/372967378.db2.gz IAWHKFRLDGBQAQ-IHWYPQMZSA-N 1 0 217.070 0.550 10 0 BCAERO O=C(Cc1cccc(O)c1)N[C@@H]1CC[NH2+]C1 ZINC000042417783 182042290 /nfs/dbraw/zinc/04/22/90/182042290.db2.gz IRWAMONDCWMVCY-SNVBAGLBSA-N 1 0 220.272 0.413 10 0 BCAERO O=C(Cc1ccccc1)NC[C@@H]1C[NH2+]CCO1 ZINC000036285034 182044083 /nfs/dbraw/zinc/04/40/83/182044083.db2.gz UAUBWQNRZWCVOI-LBPRGKRZSA-N 1 0 234.299 0.334 10 0 BCAERO O=C(Cc1noc2ccccc12)NC1C[NH2+]C1 ZINC000090289116 182061394 /nfs/dbraw/zinc/06/13/94/182061394.db2.gz MUCVOPHYADZACI-UHFFFAOYSA-N 1 0 231.255 0.458 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H](C)N1S(=O)(=O)C(F)F ZINC000068913869 373085501 /nfs/dbraw/zinc/08/55/01/373085501.db2.gz DGDBHNCRRNPRSB-OLQVQODUSA-N 1 0 228.264 0.221 10 0 BCAERO O=C(N1CC[NH2+]CC1)C1(O)CCCCC1 ZINC000082641916 182081073 /nfs/dbraw/zinc/08/10/73/182081073.db2.gz RNDSSNXUXLUSTR-UHFFFAOYSA-N 1 0 212.293 0.113 10 0 BCAERO O=C(N1CC[N@@H+]2CCC[C@H]2C1)C(F)(F)F ZINC000112022564 182081316 /nfs/dbraw/zinc/08/13/16/182081316.db2.gz RKTCVJDNORDXNW-ZETCQYMHSA-N 1 0 222.210 0.855 10 0 BCAERO O=C([C@H]1CCCO1)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000632863470 373197402 /nfs/dbraw/zinc/19/74/02/373197402.db2.gz HNSHYYOKYOSCJD-GRYCIOLGSA-N 1 0 238.331 0.766 10 0 BCAERO O=C(NC1(CO)CCCC1)[C@H]1CCC[NH2+]C1 ZINC000053072009 182090135 /nfs/dbraw/zinc/09/01/35/182090135.db2.gz MJSVQWWPLDKNEC-JTQLQIEISA-N 1 0 226.320 0.407 10 0 BCAERO O=C(NC1(CO)CCCC1)[C@H]1CCCC[NH2+]1 ZINC000053072006 182091018 /nfs/dbraw/zinc/09/10/18/182091018.db2.gz WQLUQYYPOVUACK-SNVBAGLBSA-N 1 0 226.320 0.550 10 0 BCAERO [NH3+][C@@H]1CCCC[C@@H]1NC(=O)[C@H]1CCCOC1 ZINC000245390161 373267393 /nfs/dbraw/zinc/26/73/93/373267393.db2.gz KZUYSKSYIVGYJS-AXFHLTTASA-N 1 0 226.320 0.799 10 0 BCAERO O=C(NC1CCC(O)CC1)[C@@H]1CCCC[NH2+]1 ZINC000019408704 182102835 /nfs/dbraw/zinc/10/28/35/182102835.db2.gz YPMZVXLYMGUCNF-ILDUYXDCSA-N 1 0 226.320 0.548 10 0 BCAERO CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H]1CCC[C@@H](O)C1 ZINC000040462110 373280548 /nfs/dbraw/zinc/28/05/48/373280548.db2.gz YYYIZSYPWICBRL-ZDCRXTMVSA-N 1 0 228.336 0.780 10 0 BCAERO O=C(NC1C[NH2+]C1)c1ccc(C(F)(F)F)cn1 ZINC000122433078 182118954 /nfs/dbraw/zinc/11/89/54/182118954.db2.gz DFZZCKPVERIUPD-UHFFFAOYSA-N 1 0 245.204 0.802 10 0 BCAERO Cc1nc(C)c([C@@H](C)NC(=O)C[NH3+])s1 ZINC000040519030 373420967 /nfs/dbraw/zinc/42/09/67/373420967.db2.gz XCCGREBYNRGCQE-ZCFIWIBFSA-N 1 0 213.306 0.896 10 0 BCAERO CC[C@@]1(C)C[C@@]([NH3+])(C(=O)OC)CCO1 ZINC000069543638 373449176 /nfs/dbraw/zinc/44/91/76/373449176.db2.gz PLKPLVCMLCJUHG-VHSXEESVSA-N 1 0 201.266 0.836 10 0 BCAERO C[C@@H]1CCCCC[N@@H+]1C[C@](C)(N)C(N)=O ZINC000069549400 373454507 /nfs/dbraw/zinc/45/45/07/373454507.db2.gz JVYVLPLANROSDZ-KOLCDFICSA-N 1 0 213.325 0.454 10 0 BCAERO Cc1ncsc1CN1CC[C@H]([NH3+])C1=O ZINC000069606294 373507763 /nfs/dbraw/zinc/50/77/63/373507763.db2.gz PKURQTJYGIOWOA-ZETCQYMHSA-N 1 0 211.290 0.511 10 0 BCAERO O=C(NCC1CCCC1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000037258716 182144584 /nfs/dbraw/zinc/14/45/84/182144584.db2.gz UOFJEICPNPKFGV-UWVGGRQHSA-N 1 0 212.293 0.016 10 0 BCAERO [NH3+][C@@H]1CCN(CCc2cscn2)C1=O ZINC000069626729 373549550 /nfs/dbraw/zinc/54/95/50/373549550.db2.gz FXHNVSZJQVVHNT-MRVPVSSYSA-N 1 0 211.290 0.245 10 0 BCAERO CCS(=O)(=O)N1CC[C@@H](C)[C@H]([NH3+])C1 ZINC000069719597 373648780 /nfs/dbraw/zinc/64/87/80/373648780.db2.gz QVVPERHZPSVQRC-HTQZYQBOSA-N 1 0 206.311 0.005 10 0 BCAERO CC(C)C[C@H](CO)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000040777181 373700192 /nfs/dbraw/zinc/70/01/92/373700192.db2.gz XUVMWHQJWOGKEC-CHWSQXEVSA-N 1 0 244.379 0.440 10 0 BCAERO O=C(NCCCO)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000082796464 182170471 /nfs/dbraw/zinc/17/04/71/182170471.db2.gz VCJBCKLXYBOQMW-GFCCVEGCSA-N 1 0 234.299 0.372 10 0 BCAERO C[C@H]([NH2+][C@@H]1CCOC(C)(C)C1)C(N)=O ZINC000069861488 373893908 /nfs/dbraw/zinc/89/39/08/373893908.db2.gz AFAMKUYHRJEEQB-JGVFFNPUSA-N 1 0 200.282 0.407 10 0 BCAERO O=C(NCCOCC1CC1)[C@H]1CC[NH2+]C1 ZINC000226326540 182196633 /nfs/dbraw/zinc/19/66/33/182196633.db2.gz CZGOUHHFKZWBLO-JTQLQIEISA-N 1 0 212.293 0.139 10 0 BCAERO O=C(NCC[C@@H]1CCCO1)[C@@H]1CCC[NH2+]1 ZINC000038096834 182199422 /nfs/dbraw/zinc/19/94/22/182199422.db2.gz ZUSYGOBTCIGILJ-UWVGGRQHSA-N 1 0 212.293 0.424 10 0 BCAERO O=C(NCC[C@H]1CCC[NH2+]C1)NC1CC1 ZINC000054457125 182200077 /nfs/dbraw/zinc/20/00/77/182200077.db2.gz RSYJVWHMBBNGID-SECBINFHSA-N 1 0 211.309 0.838 10 0 BCAERO C[NH2+][C@@]1(C(N)=O)CCO[C@H](C(C)C)C1 ZINC000069893215 373970381 /nfs/dbraw/zinc/97/03/81/373970381.db2.gz DTRBJRVTZXOQES-WPRPVWTQSA-N 1 0 200.282 0.265 10 0 BCAERO O=C(NCN1CC[NH2+]CC1)c1ccccc1 ZINC000058009282 182217742 /nfs/dbraw/zinc/21/77/42/182217742.db2.gz DKPMXFYDGKUSFM-UHFFFAOYSA-N 1 0 219.288 0.279 10 0 BCAERO c1cn2c(n1)CC[C@@H]([NH2+]Cc1cn[nH]c1)C2 ZINC000381505550 374126558 /nfs/dbraw/zinc/12/65/58/374126558.db2.gz PWCWJFIAGFNTOC-SNVBAGLBSA-N 1 0 217.276 0.711 10 0 BCAERO O=C(NC[C@@H]1Cc2ccccc2O1)[C@@H]1CC[NH2+]C1 ZINC000062115427 182230318 /nfs/dbraw/zinc/23/03/18/182230318.db2.gz PGNIBFMRGFWILB-NEPJUHHUSA-N 1 0 246.310 0.716 10 0 BCAERO O=C(NC[C@@H]1Cc2ccccc2O1)[C@@H]1CCC[NH2+]1 ZINC000037985618 182230626 /nfs/dbraw/zinc/23/06/26/182230626.db2.gz XORDXWCGIHXROC-RYUDHWBXSA-N 1 0 246.310 0.858 10 0 BCAERO CC(C)(C)CS(=O)(=O)N1CCC[C@@H]1[NH3+] ZINC000070633751 374150726 /nfs/dbraw/zinc/15/07/26/374150726.db2.gz VKNIDHARDLBXLS-MRVPVSSYSA-N 1 0 220.338 0.743 10 0 BCAERO CC(C)(C)CS(=O)(=O)N1CCC[C@H]1[NH3+] ZINC000070633752 374150904 /nfs/dbraw/zinc/15/09/04/374150904.db2.gz VKNIDHARDLBXLS-QMMMGPOBSA-N 1 0 220.338 0.743 10 0 BCAERO COCC(=O)Nc1nc([C@H](C)[NH3+])cs1 ZINC000070884810 374224514 /nfs/dbraw/zinc/22/45/14/374224514.db2.gz RPZFHNYCAMBAPN-YFKPBYRVSA-N 1 0 215.278 0.748 10 0 BCAERO CNC(=O)[C@@H]([NH2+]CCCCCO)C(C)C ZINC000183635752 206012052 /nfs/dbraw/zinc/01/20/52/206012052.db2.gz SLKPOTSZSPIJJA-JTQLQIEISA-N 1 0 216.325 0.509 10 0 BCAERO CC(C)C(=O)N1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000246786694 374304767 /nfs/dbraw/zinc/30/47/67/374304767.db2.gz QKPJDRCPHFWAQR-MNOVXSKESA-N 1 0 228.336 0.556 10 0 BCAERO O=C(NCc1cn[nH]c1)[C@@H]1CCC[NH2+]C1 ZINC000038006553 182271012 /nfs/dbraw/zinc/27/10/12/182271012.db2.gz VDLVQJPTWOCMCN-SECBINFHSA-N 1 0 208.265 0.026 10 0 BCAERO O=C(N[C@@H]1CCC[NH2+]C1)c1ccc(O)cc1 ZINC000019404019 182294763 /nfs/dbraw/zinc/29/47/63/182294763.db2.gz YDFUHPIKLYTQNG-SNVBAGLBSA-N 1 0 220.272 0.874 10 0 BCAERO O=C(N[C@@H]1CC[NH2+]C1)c1cccc(O)c1 ZINC000036286938 182304402 /nfs/dbraw/zinc/30/44/02/182304402.db2.gz TWSIWPJXJWPCRT-SECBINFHSA-N 1 0 206.245 0.484 10 0 BCAERO O=C(N[C@H](CO)c1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000063003712 182325369 /nfs/dbraw/zinc/32/53/69/182325369.db2.gz MBFDVYVJZFLPKY-CHWSQXEVSA-N 1 0 248.326 0.836 10 0 BCAERO O=C(N[C@H]1C[NH+]2CCC1CC2)c1ccc(=O)[nH]c1 ZINC000020302662 182342192 /nfs/dbraw/zinc/34/21/92/182342192.db2.gz UATJGTLZNCYHFN-NSHDSACASA-N 1 0 247.298 0.199 10 0 BCAERO O=C(Nc1c(F)cccc1F)[C@H]1C[C@H](O)C[NH2+]1 ZINC000020476394 182345982 /nfs/dbraw/zinc/34/59/82/182345982.db2.gz ARZGJAXABMGKBO-IMTBSYHQSA-N 1 0 242.225 0.626 10 0 BCAERO O=C(Nc1ccc2c(c1)CCC2)[C@H]1C[NH2+]CCN1 ZINC000062812461 182364574 /nfs/dbraw/zinc/36/45/74/182364574.db2.gz FBYIUTKUAARAOD-CYBMUJFWSA-N 1 0 245.326 0.675 10 0 BCAERO O=C(Nc1cccc(F)c1F)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000040231010 182371060 /nfs/dbraw/zinc/37/10/60/182371060.db2.gz LDPGQMLNJCCZRA-RCOVLWMOSA-N 1 0 242.225 0.626 10 0 BCAERO O=C(Nc1cccc2n[nH]cc21)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000037769584 182373391 /nfs/dbraw/zinc/37/33/91/182373391.db2.gz HTIPBRBRWLVXFQ-HQJQHLMTSA-N 1 0 246.270 0.224 10 0 BCAERO O=C(Nc1cccnc1Cl)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000037019997 182385163 /nfs/dbraw/zinc/38/51/63/182385163.db2.gz GRBBXWKSKVDZGN-XPUUQOCRSA-N 1 0 241.678 0.396 10 0 BCAERO CS(=O)(=O)[C@H]1CCC[N@@H+]([C@@H]2CCC[C@H]2O)C1 ZINC000381985940 487528157 /nfs/dbraw/zinc/52/81/57/487528157.db2.gz GOPVGIKGYPFRCR-HBNTYKKESA-N 1 0 247.360 0.409 10 0 BCAERO O=C(OC[C@H]1CCCO1)C1CC[NH2+]CC1 ZINC000048636948 182604374 /nfs/dbraw/zinc/60/43/74/182604374.db2.gz FCOHAGMJGGFBBW-SNVBAGLBSA-N 1 0 213.277 0.708 10 0 BCAERO O=C([C@H]1CCC[NH2+]1)N1CCC[C@@H]1CCCO ZINC000052763569 182635644 /nfs/dbraw/zinc/63/56/44/182635644.db2.gz BFSJUXPSUDOWDM-GHMZBOCLSA-N 1 0 226.320 0.502 10 0 BCAERO CCOC(=O)[C@@H](N)CC[N@H+](C)CC(C)C ZINC000062444817 170252804 /nfs/dbraw/zinc/25/28/04/170252804.db2.gz PFPAMYNCYKUPIQ-JTQLQIEISA-N 1 0 216.325 0.855 10 0 BCAERO CCOC(=O)[C@H](C)N1CC[NH2+]C[C@@H]1C ZINC000054374677 170266992 /nfs/dbraw/zinc/26/69/92/170266992.db2.gz CHFURVIWVNERBZ-IUCAKERBSA-N 1 0 200.282 0.232 10 0 BCAERO O=C1NCCCN1CC[C@H]1CCC[NH2+]C1 ZINC000043373362 182798826 /nfs/dbraw/zinc/79/88/26/182798826.db2.gz LRZSBWYOTPGBSE-SNVBAGLBSA-N 1 0 211.309 0.791 10 0 BCAERO O=S(=O)(NCC1CC1)C1CC[NH2+]CC1 ZINC000049632176 182895663 /nfs/dbraw/zinc/89/56/63/182895663.db2.gz YKBHVVRKRVEPNX-UHFFFAOYSA-N 1 0 218.322 0.068 10 0 BCAERO COC[C@@H](C)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000178945872 134313562 /nfs/dbraw/zinc/31/35/62/134313562.db2.gz NQELZQXSZHQJHD-ZJUUUORDSA-N 1 0 214.309 0.385 10 0 BCAERO O=S1(=O)CC[C@@H]([NH2+]CCO)c2ccccc21 ZINC000037250484 182911687 /nfs/dbraw/zinc/91/16/87/182911687.db2.gz FFGWZUYSWFXDBA-SNVBAGLBSA-N 1 0 241.312 0.487 10 0 BCAERO O=[S@](C[C@@H]1CC[NH2+]C1)c1ccncc1 ZINC000095073657 182966502 /nfs/dbraw/zinc/96/65/02/182966502.db2.gz SOXGEGWZGHCCHL-OTYXRUKQSA-N 1 0 210.302 0.799 10 0 BCAERO O=[S@](c1ccc(Cl)nn1)[C@H]1CC[NH2+]C1 ZINC000095069944 182966917 /nfs/dbraw/zinc/96/69/17/182966917.db2.gz WQJYUJANHDAHJV-DXRPGJJCSA-N 1 0 231.708 0.600 10 0 BCAERO O=[S@](c1ccc(Cl)nn1)[C@@H]1CC[NH2+]C1 ZINC000095069942 182967280 /nfs/dbraw/zinc/96/72/80/182967280.db2.gz WQJYUJANHDAHJV-RWBAJPLHSA-N 1 0 231.708 0.600 10 0 BCAERO CCOCCN(CC)c1nccnc1C(N)=[NH2+] ZINC000104200543 170397134 /nfs/dbraw/zinc/39/71/34/170397134.db2.gz HJPQLVXHIPJKCC-UHFFFAOYSA-N 1 0 237.307 0.623 10 0 BCAERO O=c1[nH]ncc(N[C@@H]2CCC[NH2+]C2)c1Cl ZINC000073736199 182982938 /nfs/dbraw/zinc/98/29/38/182982938.db2.gz UDEVCKQDOMXQSX-ZCFIWIBFSA-N 1 0 228.683 0.587 10 0 BCAERO O=c1cccnn1CC[C@@H]1CCC[NH2+]C1 ZINC000061403282 183004194 /nfs/dbraw/zinc/00/41/94/183004194.db2.gz ISOOWXRIXHPHEU-JTQLQIEISA-N 1 0 207.277 0.633 10 0 BCAERO O=c1ncccn1CC[NH2+]Cc1ccoc1 ZINC000053500199 183011521 /nfs/dbraw/zinc/01/15/21/183011521.db2.gz XNPGQDOFZOMVQR-UHFFFAOYSA-N 1 0 219.244 0.626 10 0 BCAERO OC1CCC([NH2+]Cc2ccncn2)CC1 ZINC000054788642 183027655 /nfs/dbraw/zinc/02/76/55/183027655.db2.gz CPCMIDALZSAFDW-UHFFFAOYSA-N 1 0 207.277 0.870 10 0 BCAERO OC1(CC[N@@H+]2CCc3n[nH]cc3C2)CC1 ZINC000333051902 183015277 /nfs/dbraw/zinc/01/52/77/183015277.db2.gz HALVACMPANAQQJ-UHFFFAOYSA-N 1 0 207.277 0.683 10 0 BCAERO OCC1([NH2+][C@H]2COC[C@@H]2O)CCCCC1 ZINC000053096866 183039414 /nfs/dbraw/zinc/03/94/14/183039414.db2.gz YMSTWTLYEJRQRY-UWVGGRQHSA-N 1 0 215.293 0.031 10 0 BCAERO OCC[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000177698599 183077012 /nfs/dbraw/zinc/07/70/12/183077012.db2.gz HNLFIZFVIFDFKS-LLVKDONJSA-N 1 0 221.304 0.808 10 0 BCAERO OCC[C@@H](O)C1C[NH+](Cc2ccccc2)C1 ZINC000095078859 183090768 /nfs/dbraw/zinc/09/07/68/183090768.db2.gz WHSXORPGNZHVNF-CYBMUJFWSA-N 1 0 221.300 0.862 10 0 BCAERO CCCC[C@H]([NH3+])C(=O)N1CCNC(=O)[C@H]1CC ZINC000104126960 169006122 /nfs/dbraw/zinc/00/61/22/169006122.db2.gz PZGPQDVMAVPWBS-VHSXEESVSA-N 1 0 241.335 0.241 10 0 BCAERO CCCC[C@H]([NH3+])C(=O)N1CC[C@H](O)C1 ZINC000061712441 169006151 /nfs/dbraw/zinc/00/61/51/169006151.db2.gz QFBABZWDDBXHQV-IUCAKERBSA-N 1 0 200.282 0.097 10 0 BCAERO OC[C@@H]1CCC[N@@H+]1C[C@]1(CO)CCCOC1 ZINC000082582532 183120226 /nfs/dbraw/zinc/12/02/26/183120226.db2.gz UTOAJZWRXBHRNW-RYUDHWBXSA-N 1 0 229.320 0.232 10 0 BCAERO OC[C@@]1([NH2+]C[C@@H]2CCCO2)CCSC1 ZINC000038114345 183134058 /nfs/dbraw/zinc/13/40/58/183134058.db2.gz QIUYQQOYGXGBFY-UWVGGRQHSA-N 1 0 217.334 0.623 10 0 BCAERO OC[C@H](O)C[NH2+]CCc1c[nH]c2ccccc12 ZINC000049826635 183142271 /nfs/dbraw/zinc/14/22/71/183142271.db2.gz UOEJRSCPXFPMLY-LLVKDONJSA-N 1 0 234.299 0.653 10 0 BCAERO OC[C@@H]1C[C@@H](O)C[N@@H+]1C[C@H]1Cc2ccccc21 ZINC000287710514 183130275 /nfs/dbraw/zinc/13/02/75/183130275.db2.gz JPFXUJKUJCYTRB-FRRDWIJNSA-N 1 0 233.311 0.754 10 0 BCAERO OC[C@H]1C[NH2+]CCCN1CC(F)(F)F ZINC000062570513 183155636 /nfs/dbraw/zinc/15/56/36/183155636.db2.gz ASHAMWRJVIECKD-SSDOTTSWSA-N 1 0 212.215 0.205 10 0 BCAERO OC[C@]1([NH2+]C[C@@H]2CCCO2)CCSC1 ZINC000038114347 183158616 /nfs/dbraw/zinc/15/86/16/183158616.db2.gz QIUYQQOYGXGBFY-VHSXEESVSA-N 1 0 217.334 0.623 10 0 BCAERO O[C@@H](C[NH2+]C1COC1)COc1ccc(F)cc1 ZINC000094710385 183179005 /nfs/dbraw/zinc/17/90/05/183179005.db2.gz NUBLOBYVDXADKP-NSHDSACASA-N 1 0 241.262 0.554 10 0 BCAERO O[C@@H](CNCc1cc[nH]c1)C[NH+]1CCCCC1 ZINC000175700840 183179634 /nfs/dbraw/zinc/17/96/34/183179634.db2.gz IWHRVQDHIQUFRK-ZDUSSCGKSA-N 1 0 237.347 0.951 10 0 BCAERO CCCN(C)C(=O)C1(C[NH3+])CCOCC1 ZINC000044762485 169051537 /nfs/dbraw/zinc/05/15/37/169051537.db2.gz CPKPRVKYZYFSAA-UHFFFAOYSA-N 1 0 214.309 0.610 10 0 BCAERO O[C@@H]1C[NH2+][C@H](COCc2ccccc2)C[C@H]1O ZINC000035567025 183207817 /nfs/dbraw/zinc/20/78/17/183207817.db2.gz JGUOEEMRKOPRQJ-YNEHKIRRSA-N 1 0 237.299 0.287 10 0 BCAERO O[C@@H]1C[NH2+]CC[C@@H]1NCc1ccccc1 ZINC000034122516 183207862 /nfs/dbraw/zinc/20/78/62/183207862.db2.gz AHEIGAOSXRVHSH-NWDGAFQWSA-N 1 0 206.289 0.499 10 0 BCAERO O[C@H](C[NH2+]C1COC1)COc1ccc(F)cc1 ZINC000094710384 183222626 /nfs/dbraw/zinc/22/26/26/183222626.db2.gz NUBLOBYVDXADKP-LLVKDONJSA-N 1 0 241.262 0.554 10 0 BCAERO O[C@H](C[NH2+]C1CC1)COCCc1ccccn1 ZINC000036951234 183222796 /nfs/dbraw/zinc/22/27/96/183222796.db2.gz JGIDXJZGCAWMRD-CYBMUJFWSA-N 1 0 236.315 0.754 10 0 BCAERO CCCN(C)S(=O)(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000120310512 169082541 /nfs/dbraw/zinc/08/25/41/169082541.db2.gz UTDKLJPXGDGIHJ-JTQLQIEISA-N 1 0 249.380 0.209 10 0 BCAERO O[C@@H]1COC[C@@H]1[NH2+]CCc1cccc(F)c1 ZINC000037891895 183210304 /nfs/dbraw/zinc/21/03/04/183210304.db2.gz ZRUIVETWCXTEHG-NWDGAFQWSA-N 1 0 225.263 0.718 10 0 BCAERO CCC[N@@H+](CC(=O)NC)C[C@H](C)C(=O)OC ZINC000042405311 169094499 /nfs/dbraw/zinc/09/44/99/169094499.db2.gz RMFYGGCBGSJOAD-VIFPVBQESA-N 1 0 230.308 0.254 10 0 BCAERO CCCN(CC(=O)NC)C(=O)[C@@](C)([NH3+])CCC ZINC000038101079 169095293 /nfs/dbraw/zinc/09/52/93/169095293.db2.gz OHUFYODMXLCBBQ-LBPRGKRZSA-N 1 0 243.351 0.489 10 0 BCAERO CCCN(CC(=O)OC)C(=O)[C@@H]([NH3+])[C@H](C)CC ZINC000037813059 169099725 /nfs/dbraw/zinc/09/97/25/169099725.db2.gz PYLGFUGZCZYJKR-KOLCDFICSA-N 1 0 244.335 0.771 10 0 BCAERO O[C@H]1COC[C@@H]1[NH2+]Cc1ccc(F)c(F)c1 ZINC000049577623 183246575 /nfs/dbraw/zinc/24/65/75/183246575.db2.gz YWFWURRQHBLJSD-QWRGUYRKSA-N 1 0 229.226 0.814 10 0 BCAERO O[C@H]1CCCC[C@H]1[NH2+]CCN1CCOCC1 ZINC000037490721 183232417 /nfs/dbraw/zinc/23/24/17/183232417.db2.gz UYCBDOWSNMVREL-NEPJUHHUSA-N 1 0 228.336 0.212 10 0 BCAERO Oc1ccc2c(c1)C[C@@H](C1=[NH+]CCN1)O2 ZINC000027642239 183279393 /nfs/dbraw/zinc/27/93/93/183279393.db2.gz DMMVWJDJHGCGDK-JTQLQIEISA-N 1 0 204.229 0.697 10 0 BCAERO CCCN(CC[NH3+])[C@@H](C)C(=O)NCCCOC ZINC000041160711 169158588 /nfs/dbraw/zinc/15/85/88/169158588.db2.gz AEGCQEDIOLUHKH-NSHDSACASA-N 1 0 245.367 0.198 10 0 BCAERO Oc1cccc2c1O[C@H](C1=[NH+]CCN1)C2 ZINC000027635818 183297468 /nfs/dbraw/zinc/29/74/68/183297468.db2.gz DPHQHCITBNDFIG-VIFPVBQESA-N 1 0 204.229 0.697 10 0 BCAERO CCC[N@H+](CCO)C[C@@H](O)COC(C)(C)C ZINC000046342875 169164901 /nfs/dbraw/zinc/16/49/01/169164901.db2.gz GXURZMMFWINNGB-LLVKDONJSA-N 1 0 233.352 0.867 10 0 BCAERO CCCN(c1ccc(C(N)=O)cn1)[C@H]1CC[NH2+]C1 ZINC000071332836 169182559 /nfs/dbraw/zinc/18/25/59/169182559.db2.gz AQSPHEKOWDQFDV-NSHDSACASA-N 1 0 248.330 0.759 10 0 BCAERO CCCN1CCN(C(=O)[C@H]([NH3+])C(C)C)CC1 ZINC000019479844 169201308 /nfs/dbraw/zinc/20/13/08/169201308.db2.gz AFNFUCNMSVFQKK-LLVKDONJSA-N 1 0 227.352 0.524 10 0 BCAERO CCCN1CCN(C(=O)[C@@H](C)[NH2+]C)CC1 ZINC000054071722 169201548 /nfs/dbraw/zinc/20/15/48/169201548.db2.gz UDDFEJBTKTVRBS-SNVBAGLBSA-N 1 0 213.325 0.149 10 0 BCAERO CCCN1CCN(C(=O)[C@H]([NH3+])[C@@H](C)CC)CC1 ZINC000019518824 169201739 /nfs/dbraw/zinc/20/17/39/169201739.db2.gz KEXPMSKVUMWCHA-NWDGAFQWSA-N 1 0 241.379 0.914 10 0 BCAERO CCCNC(=O)CNC(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000055087527 169225020 /nfs/dbraw/zinc/22/50/20/169225020.db2.gz CMKGNIWTEIGLHD-VHSXEESVSA-N 1 0 241.335 0.146 10 0 BCAERO CCCNC(=O)C[NH2+][C@H](C)C(=O)NCC(C)C ZINC000035148412 169229574 /nfs/dbraw/zinc/22/95/74/169229574.db2.gz MVXYHCCLRIIINS-SNVBAGLBSA-N 1 0 243.351 0.263 10 0 BCAERO CCCN1C[C@H](O)C[C@@H]1c1nc(C)no1 ZINC000372393115 169209817 /nfs/dbraw/zinc/20/98/17/169209817.db2.gz DOEXYYREDBSBKI-RKDXNWHRSA-N 1 0 211.265 0.896 10 0 BCAERO CCCNC(=O)CCC(=O)N1CCC[C@H]1C[NH3+] ZINC000236825889 169213945 /nfs/dbraw/zinc/21/39/45/169213945.db2.gz PQFMXIGXKXCNHV-JTQLQIEISA-N 1 0 241.335 0.243 10 0 BCAERO CCCNC(=O)CN(C)C(=O)CC[NH2+]C1CC1 ZINC000037799378 169218212 /nfs/dbraw/zinc/21/82/12/169218212.db2.gz RADVYPRMEPQQQZ-UHFFFAOYSA-N 1 0 241.335 0.113 10 0 BCAERO CCCNC(=O)CN(C)CC[C@@H]1CCCC[NH2+]1 ZINC000042518478 169219281 /nfs/dbraw/zinc/21/92/81/169219281.db2.gz FCTAECNWINVDFV-LBPRGKRZSA-N 1 0 241.379 0.977 10 0 BCAERO CCCNC(=O)CN(CCC)[C@H]1CCC[NH2+]C1 ZINC000104336229 169221511 /nfs/dbraw/zinc/22/15/11/169221511.db2.gz MHPJTTBMBBHWTK-LBPRGKRZSA-N 1 0 241.379 0.977 10 0 BCAERO CCC[NH2+]CCC(=O)N1CCN(C)CC1 ZINC000072417549 169257169 /nfs/dbraw/zinc/25/71/69/169257169.db2.gz RZTJEDBKWMAYRT-UHFFFAOYSA-N 1 0 213.325 0.150 10 0 BCAERO CCC[NH2+]CCCCn1ccn(C)c(=O)c1=O ZINC000061797416 169257607 /nfs/dbraw/zinc/25/76/07/169257607.db2.gz RJRUHJSLJZAQJD-UHFFFAOYSA-N 1 0 239.319 0.327 10 0 BCAERO CCC[NH2+]CCN1CCN(C(=O)OCC)CC1 ZINC000049477706 169258665 /nfs/dbraw/zinc/25/86/65/169258665.db2.gz ILVDKMDDMMNNHG-UHFFFAOYSA-N 1 0 243.351 0.760 10 0 BCAERO CCC[NH2+]CCNc1ccc(C(=O)NC)nn1 ZINC000095012992 169260584 /nfs/dbraw/zinc/26/05/84/169260584.db2.gz GQDNKCIXKJSBBW-UHFFFAOYSA-N 1 0 237.307 0.248 10 0 BCAERO CCC[NH2+]CCOCC(=O)NC1CCOCC1 ZINC000062769111 169260669 /nfs/dbraw/zinc/26/06/69/169260669.db2.gz YCMQICORANTEGX-UHFFFAOYSA-N 1 0 244.335 0.298 10 0 BCAERO CCC[NH2+]C[C@@H]1CCCCN1C[C@@H](C)C(N)=O ZINC000104427979 169262204 /nfs/dbraw/zinc/26/22/04/169262204.db2.gz AEHWSDPZYWATQY-NEPJUHHUSA-N 1 0 241.379 0.962 10 0 BCAERO CCCNC(=O)N1CCCN(CC[NH3+])CC1 ZINC000037039312 169234267 /nfs/dbraw/zinc/23/42/67/169234267.db2.gz RRKKTOLMDMPKGY-UHFFFAOYSA-N 1 0 228.340 0.072 10 0 BCAERO CCCNC(=O)N1CCN(C(C)(C)C[NH3+])CC1 ZINC000104072284 169235043 /nfs/dbraw/zinc/23/50/43/169235043.db2.gz OUVCGTWYUCXFEM-UHFFFAOYSA-N 1 0 242.367 0.461 10 0 BCAERO CCCNC(=O)[C@@H](C)NC1CC[NH2+]CC1 ZINC000038040998 169242711 /nfs/dbraw/zinc/24/27/11/169242711.db2.gz GKZCKIFSNSGAIE-SECBINFHSA-N 1 0 213.325 0.243 10 0 BCAERO CCCNC(=O)[C@@H](C)NC(=O)[C@]1(C)CC[NH2+]C1 ZINC000062892194 169242728 /nfs/dbraw/zinc/24/27/28/169242728.db2.gz MWVUUCGBWQFLFG-BXKDBHETSA-N 1 0 241.335 0.017 10 0 BCAERO CCCNC(=O)[C@H](C)NC(=O)C1([NH3+])CCCC1 ZINC000037616400 169246815 /nfs/dbraw/zinc/24/68/15/169246815.db2.gz OVZPHPTXBOFZIX-VIFPVBQESA-N 1 0 241.335 0.289 10 0 BCAERO CCC[NH2+]C[C@@H](O)CN1CCC[C@H](OCC)C1 ZINC000042421767 169262732 /nfs/dbraw/zinc/26/27/32/169262732.db2.gz PDSCRCFEIIPJMP-OLZOCXBDSA-N 1 0 244.379 0.848 10 0 BCAERO CCC[NH2+][C@H](C(N)=O)c1ccc(OC)c(O)c1 ZINC000037870147 169285442 /nfs/dbraw/zinc/28/54/42/169285442.db2.gz YJWZJWRMBGDFBP-NSHDSACASA-N 1 0 238.287 0.927 10 0 BCAERO CCC[NH2+][C@H](CCOC[C@@H]1CCOC1)C(N)=O ZINC000062542027 169288869 /nfs/dbraw/zinc/28/88/69/169288869.db2.gz XIPNWIISYTXFNY-GHMZBOCLSA-N 1 0 244.335 0.283 10 0 BCAERO CCC[NH2+]Cc1nnnn1C[C@H]1CCCCO1 ZINC000054747059 169269595 /nfs/dbraw/zinc/26/95/95/169269595.db2.gz TZBCMLQOEVUVTD-SNVBAGLBSA-N 1 0 239.323 0.742 10 0 BCAERO c1ccc(CN2CC(N3CC[NH2+]CC3)C2)cc1 ZINC000083074418 183397672 /nfs/dbraw/zinc/39/76/72/183397672.db2.gz DVTRFWPRIGWXAL-UHFFFAOYSA-N 1 0 231.343 0.776 10 0 BCAERO CCC[NH2+][C@@H](C)Cn1nc2ccccn2c1=O ZINC000043996899 169276098 /nfs/dbraw/zinc/27/60/98/169276098.db2.gz BQDRKLWNGSQORW-JTQLQIEISA-N 1 0 234.303 0.884 10 0 BCAERO CCC[NH2+][C@@H]1CCN(C[C@@H]2COCCO2)C1=O ZINC000049648897 169281927 /nfs/dbraw/zinc/28/19/27/169281927.db2.gz FKFAAYSMKRGYJF-GHMZBOCLSA-N 1 0 242.319 0.002 10 0 BCAERO CCCOCC(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000226270065 169306602 /nfs/dbraw/zinc/30/66/02/169306602.db2.gz WVOGJTDONGLVDW-ZJUUUORDSA-N 1 0 214.309 0.657 10 0 BCAERO CCCOCC(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000226270074 169307084 /nfs/dbraw/zinc/30/70/84/169307084.db2.gz WVOGJTDONGLVDW-UWVGGRQHSA-N 1 0 214.309 0.657 10 0 BCAERO CCCOCCOC(=O)[C@H](C)N1CC[NH2+]CC1 ZINC000104250013 169309046 /nfs/dbraw/zinc/30/90/46/169309046.db2.gz USKGNIXZIPBYFL-NSHDSACASA-N 1 0 244.335 0.250 10 0 BCAERO CCCOCCC(=O)NC[C@H]1CCC[NH2+]C1 ZINC000054434619 169309232 /nfs/dbraw/zinc/30/92/32/169309232.db2.gz STHHSKXEGMOCIK-NSHDSACASA-N 1 0 228.336 0.919 10 0 BCAERO CCCO[C@@H]1CCCN(C(=O)[C@H](C)[NH3+])C1 ZINC000040501358 169310490 /nfs/dbraw/zinc/31/04/90/169310490.db2.gz KQHQOCLIGOGHBS-VHSXEESVSA-N 1 0 214.309 0.751 10 0 BCAERO CCCO[C@H]1CCCN(C[C@H](O)C[NH2+]CC)C1 ZINC000042421753 169312672 /nfs/dbraw/zinc/31/26/72/169312672.db2.gz KBIMVBKAHNCXFV-OLZOCXBDSA-N 1 0 244.379 0.848 10 0 BCAERO CCC[NH2+][C@H]1CCc2nc(N)oc2C1=O ZINC000226821288 169292393 /nfs/dbraw/zinc/29/23/93/169292393.db2.gz XBZZYUCCVFFEBX-LURJTMIESA-N 1 0 209.249 0.754 10 0 BCAERO c1ccc2c(c1)OC[C@H](CN[C@@H]1CC[NH2+]C1)O2 ZINC000094075066 183453743 /nfs/dbraw/zinc/45/37/43/183453743.db2.gz AAGLAWANIZFAHU-MNOVXSKESA-N 1 0 234.299 0.778 10 0 BCAERO CCCS(=O)(=O)N(C)C[C@H]1CC[N@H+](C)C1 ZINC000104747622 169329720 /nfs/dbraw/zinc/32/97/20/169329720.db2.gz FOHVXCPIGNGVDT-JTQLQIEISA-N 1 0 234.365 0.610 10 0 BCAERO CCC[C@@H](C)NC(=O)[C@H](C)[NH2+]CC(=O)NCC ZINC000035207083 169368339 /nfs/dbraw/zinc/36/83/39/169368339.db2.gz NZISFUQWCFAGKV-ZJUUUORDSA-N 1 0 243.351 0.405 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)N(C)[C@H]1CCOC1 ZINC000133814158 169387128 /nfs/dbraw/zinc/38/71/28/169387128.db2.gz GGCGNQVYMWTTEK-DTWKUNHWSA-N 1 0 200.282 0.361 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)NC(C)(C)C(=O)OC ZINC000037033459 169388141 /nfs/dbraw/zinc/38/81/41/169388141.db2.gz LDRDXOTVCIUXRX-SSDOTTSWSA-N 1 0 216.281 0.182 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)N1CCC([C@@H](C)O)CC1 ZINC000157779022 169388166 /nfs/dbraw/zinc/38/81/66/169388166.db2.gz WMXLYGQFKDDKMP-MWLCHTKSSA-N 1 0 228.336 0.733 10 0 BCAERO c1cnnc(N2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000038762062 183503736 /nfs/dbraw/zinc/50/37/36/183503736.db2.gz CDQZJPGEGLCRLB-NSHDSACASA-N 1 0 204.277 0.666 10 0 BCAERO c1cnnc(N2CCC[C@]23CC[NH2+]C3)c1 ZINC000035882158 183502761 /nfs/dbraw/zinc/50/27/61/183502761.db2.gz ISTGBZHTZSXNEK-LLVKDONJSA-N 1 0 204.277 0.809 10 0 BCAERO CCC[C@@H](C[NH3+])CCC(=O)N1CCN(C)CC1 ZINC000076624068 169383485 /nfs/dbraw/zinc/38/34/85/169383485.db2.gz ILHWQGILLIAOAI-GFCCVEGCSA-N 1 0 241.379 0.916 10 0 BCAERO c1cnnc(N2CCC[C@@]23CC[NH2+]C3)c1 ZINC000035882157 183503312 /nfs/dbraw/zinc/50/33/12/183503312.db2.gz ISTGBZHTZSXNEK-NSHDSACASA-N 1 0 204.277 0.809 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)N(CC(=O)OCC)C(C)C ZINC000038101227 169386378 /nfs/dbraw/zinc/38/63/78/169386378.db2.gz QRLAECQNYYXGHY-SNVBAGLBSA-N 1 0 244.335 0.914 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)N(C)CCCC(=O)NC ZINC000236890979 169386922 /nfs/dbraw/zinc/38/69/22/169386922.db2.gz QCKUOIGJLBLYCM-SECBINFHSA-N 1 0 229.324 0.098 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)N(CCC)CC(=O)NC ZINC000038101063 169386968 /nfs/dbraw/zinc/38/69/68/169386968.db2.gz CKCLFBVSECOVEK-SECBINFHSA-N 1 0 229.324 0.098 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)NC[C@@H](C)C(=O)OC ZINC000236951871 169389600 /nfs/dbraw/zinc/38/96/00/169389600.db2.gz NXLCDOUVJNOLME-HTQZYQBOSA-N 1 0 216.281 0.039 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)N[C@@H](CC)COC ZINC000070626275 169390039 /nfs/dbraw/zinc/39/00/39/169390039.db2.gz YOLWIRCXUWCQFS-DTWKUNHWSA-N 1 0 202.298 0.655 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)NC[C@H](C)COC ZINC000041679466 169388779 /nfs/dbraw/zinc/38/87/79/169388779.db2.gz MKYRPOAEQDPELL-DTWKUNHWSA-N 1 0 202.298 0.513 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)NC[C@H](O)C(C)C ZINC000163246278 169389165 /nfs/dbraw/zinc/38/91/65/169389165.db2.gz WCYMSJCJCKWECD-BDAKNGLRSA-N 1 0 202.298 0.247 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)NCCCCCCO ZINC000083348713 169389209 /nfs/dbraw/zinc/38/92/09/169389209.db2.gz GXQJNYGJHGUUEW-SNVBAGLBSA-N 1 0 216.325 0.783 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)N[C@H](C)CCC(=O)OCC ZINC000182857504 169390280 /nfs/dbraw/zinc/39/02/80/169390280.db2.gz YLNPYBNGSAPBAL-NXEZZACHSA-N 1 0 244.335 0.962 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)Nc1cc(C)nn1C ZINC000223762771 169392111 /nfs/dbraw/zinc/39/21/11/169392111.db2.gz OQWWZDKKLPQJOS-MRVPVSSYSA-N 1 0 210.281 0.794 10 0 BCAERO CC(C)(C)OC(=O)N1CC[C@H]([NH3+])[C@@H](O)C1 ZINC000082369816 166653483 /nfs/dbraw/zinc/65/34/83/166653483.db2.gz KREUZCYJWPQPJX-YUMQZZPRSA-N 1 0 216.281 0.315 10 0 BCAERO CCC[C@H]([NH3+])C(=O)NC1(C(=O)OC)CCCC1 ZINC000236839915 169500760 /nfs/dbraw/zinc/50/07/60/169500760.db2.gz FLGVPOBUBZFRBY-VIFPVBQESA-N 1 0 242.319 0.716 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N[C@H](C)CCOC ZINC000081712391 169502153 /nfs/dbraw/zinc/50/21/53/169502153.db2.gz AHBIPFWQZSCQIS-BDAKNGLRSA-N 1 0 202.298 0.655 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N[C@H](CCO)CSC ZINC000236924131 169502195 /nfs/dbraw/zinc/50/21/95/169502195.db2.gz AFGFLHUPSHOZHR-BDAKNGLRSA-N 1 0 234.365 0.344 10 0 BCAERO CCC[C@H](O)C[NH2+]Cc1c(C)nn(C)c1OC ZINC000134558232 169518670 /nfs/dbraw/zinc/51/86/70/169518670.db2.gz ZBWOPVLVAHCALK-JTQLQIEISA-N 1 0 241.335 0.988 10 0 BCAERO CC(C)(C)OC(=O)NC[C@@H](O)[C@H]1CCC[NH2+]C1 ZINC000076688687 166662661 /nfs/dbraw/zinc/66/26/61/166662661.db2.gz CKLJOPJIMWDBAP-VHSXEESVSA-N 1 0 244.335 0.872 10 0 BCAERO CC(C)(C)OC(=O)N[C@@H]1CC[NH2+]CC12COC2 ZINC000096987270 166665759 /nfs/dbraw/zinc/66/57/59/166665759.db2.gz BDRVPHQSJQBZFZ-SECBINFHSA-N 1 0 242.319 0.890 10 0 BCAERO CC(C)(C)OC(=O)[C@H]1CC[NH2+]CCN1 ZINC000026896643 166674052 /nfs/dbraw/zinc/67/40/52/166674052.db2.gz MIKHWQZLGQQLTG-MRVPVSSYSA-N 1 0 200.282 0.280 10 0 BCAERO CC[C@@H]1CN[C@H](C)C[N@@H+]1C(C)(C)CO ZINC000083343500 171100906 /nfs/dbraw/zinc/10/09/06/171100906.db2.gz ZIIVCVWFTADDEK-NXEZZACHSA-N 1 0 200.326 0.830 10 0 BCAERO Cc1cnc(CNC(=O)[C@H]2CC[NH2+]C2)s1 ZINC000226405838 134365956 /nfs/dbraw/zinc/36/59/56/134365956.db2.gz JQMACYKECCYFDC-QMMMGPOBSA-N 1 0 225.317 0.677 10 0 BCAERO Brc1cncc(N2CC[NH2+]CC2)n1 ZINC000072204067 532978645 /nfs/dbraw/zinc/97/86/45/532978645.db2.gz MSATWWUYQNJHOD-UHFFFAOYSA-N 1 0 243.108 0.649 10 0 BCAERO CN(CCOCC[NH3+])c1ccc(F)cn1 ZINC000301013173 383841738 /nfs/dbraw/zinc/84/17/38/383841738.db2.gz HBBARERHJNCAJJ-UHFFFAOYSA-N 1 0 213.256 0.632 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N(C)CC(=O)NC(C)C ZINC000037801336 383854939 /nfs/dbraw/zinc/85/49/39/383854939.db2.gz RDOWJQMULZAUQW-VIFPVBQESA-N 1 0 229.324 0.097 10 0 BCAERO C[C@@H]1CCN(C(=O)[C@H]2C[NH2+]CCOC2)[C@H]1C ZINC000643731755 383859434 /nfs/dbraw/zinc/85/94/34/383859434.db2.gz XSEDLRALCYDADK-VWYCJHECSA-N 1 0 226.320 0.479 10 0 BCAERO C[C@@H]1CC[C@H](C)N1C(=O)[C@H]1C[NH2+]CCOC1 ZINC000643735601 383911339 /nfs/dbraw/zinc/91/13/39/383911339.db2.gz KCKHMDYAZNWFSH-AXFHLTTASA-N 1 0 226.320 0.622 10 0 BCAERO O=C([C@@H]1C[NH2+]CCOC1)N1CCCCC1 ZINC000643737444 383924635 /nfs/dbraw/zinc/92/46/35/383924635.db2.gz AWMYHSHUMKHUCC-SNVBAGLBSA-N 1 0 212.293 0.235 10 0 BCAERO CC(C)OC[C@@H](O)C[N@@H+]1CC[C@@H](CCO)C1 ZINC000227576522 134385400 /nfs/dbraw/zinc/38/54/00/134385400.db2.gz UQXCTGYGCKYBOB-RYUDHWBXSA-N 1 0 231.336 0.477 10 0 BCAERO C[C@@H]1C[C@H]([NH2+]C[C@H]2CN(C)CCO2)CO1 ZINC000401772278 383980095 /nfs/dbraw/zinc/98/00/95/383980095.db2.gz AEHOOKPXBHJSLC-VWYCJHECSA-N 1 0 214.309 0.084 10 0 BCAERO [NH3+][C@@H]1CCN(CC(=O)c2ccc3c(c2)OCO3)C1 ZINC000050242522 383986185 /nfs/dbraw/zinc/98/61/85/383986185.db2.gz CIXNUHMBAFHTDY-SNVBAGLBSA-N 1 0 248.282 0.631 10 0 BCAERO [NH3+][C@@H](C1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000050271504 383988418 /nfs/dbraw/zinc/98/84/18/383988418.db2.gz ONJJDHXYYHAGCE-UWVGGRQHSA-N 1 0 217.334 0.939 10 0 BCAERO CCC[C@H](C(=O)OCC)N1C[C@H](C)[C@H]([NH3+])C1 ZINC000300050463 383936675 /nfs/dbraw/zinc/93/66/75/383936675.db2.gz ZXBWISRDVMJQIX-HBNTYKKESA-N 1 0 228.336 0.997 10 0 BCAERO c1nc2c(cccc2NC2=[NH+]CCN2)[nH]1 ZINC000089195197 383941162 /nfs/dbraw/zinc/94/11/62/383941162.db2.gz ZOCOJDIJPRGJHM-UHFFFAOYSA-N 1 0 201.233 0.934 10 0 BCAERO C[NH+](C)CCNC(=O)c1n[nH]c2cc(N)ccc21 ZINC000089197366 383944327 /nfs/dbraw/zinc/94/43/27/383944327.db2.gz HQAGBASKDPPGKT-UHFFFAOYSA-N 1 0 247.302 0.437 10 0 BCAERO CC(C)(C)[C@@H](O)Cn1cc(CCC[NH3+])nn1 ZINC000304195721 383949199 /nfs/dbraw/zinc/94/91/99/383949199.db2.gz BHQBFZCLXJPFIT-JTQLQIEISA-N 1 0 226.324 0.576 10 0 BCAERO C[C@@H]1CCCN(C(=O)[C@@H]2C[NH2+]CCOC2)C1 ZINC000643614537 384016207 /nfs/dbraw/zinc/01/62/07/384016207.db2.gz BFGLOEACLCYXIY-GHMZBOCLSA-N 1 0 226.320 0.481 10 0 BCAERO CCCCNC(=O)[C@@]1(COC)CCC[NH2+]1 ZINC000643614578 384016739 /nfs/dbraw/zinc/01/67/39/384016739.db2.gz CGMZGFSCDVHTJV-NSHDSACASA-N 1 0 214.309 0.671 10 0 BCAERO O=C1C[S@](=O)C2(CC[NH2+]CC2)N1CC1CC1 ZINC000257182182 384019704 /nfs/dbraw/zinc/01/97/04/384019704.db2.gz OTTKLOPOYWPYLQ-INIZCTEOSA-N 1 0 242.344 0.067 10 0 BCAERO CC1CCN(C(=O)[C@H]2C[NH2+]CCOC2)CC1 ZINC000643616146 384005311 /nfs/dbraw/zinc/00/53/11/384005311.db2.gz LLRIBLGGLQXDIW-NSHDSACASA-N 1 0 226.320 0.481 10 0 BCAERO CCCNC(=O)[C@@]1(COC)CCC[NH2+]1 ZINC000643615992 384005761 /nfs/dbraw/zinc/00/57/61/384005761.db2.gz FAKVDLRROGHLDX-JTQLQIEISA-N 1 0 200.282 0.281 10 0 BCAERO O=C(NC1CCCC1)[C@H]1C[NH2+]CCOC1 ZINC000643616214 384006768 /nfs/dbraw/zinc/00/67/68/384006768.db2.gz OHBHYDSIZIDAQA-VIFPVBQESA-N 1 0 212.293 0.281 10 0 BCAERO C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1C[NH2+]CCOC1 ZINC000643617151 384010012 /nfs/dbraw/zinc/01/00/12/384010012.db2.gz SDVOOGAPEAYNIQ-UTUOFQBUSA-N 1 0 240.347 0.917 10 0 BCAERO CCCCN(CC)C(=O)[C@@H]1C[NH2+]CCOC1 ZINC000643617116 384011110 /nfs/dbraw/zinc/01/11/10/384011110.db2.gz RDJMAZNCRHLCQB-LLVKDONJSA-N 1 0 228.336 0.871 10 0 BCAERO O=C(NCc1cccs1)[C@H]1C[NH2+]CCOC1 ZINC000643617484 384011268 /nfs/dbraw/zinc/01/12/68/384011268.db2.gz FKVDFIRBTUIIAJ-VIFPVBQESA-N 1 0 240.328 0.600 10 0 BCAERO COC[C@]1(C(=O)N[C@H](C)C(C)C)CCC[NH2+]1 ZINC000643617837 384013666 /nfs/dbraw/zinc/01/36/66/384013666.db2.gz QECKCWPOIOTWRG-PWSUYJOCSA-N 1 0 228.336 0.916 10 0 BCAERO COC(=O)[C@H](C)CN1CCC[C@@H]([NH+](C)C)C1 ZINC000227648649 134389287 /nfs/dbraw/zinc/38/92/87/134389287.db2.gz QANHCWYLZNMBBC-GHMZBOCLSA-N 1 0 228.336 0.822 10 0 BCAERO C[NH+](C)[C@@H]1CC[C@H](NC(=O)N2CCOCC2)C1 ZINC000155944497 384061114 /nfs/dbraw/zinc/06/11/14/384061114.db2.gz ZGNXYXSRFXRDNR-WDEREUQCSA-N 1 0 241.335 0.511 10 0 BCAERO Cc1ccc(O)c(CN2CCO[C@H]3C[NH2+]C[C@H]32)n1 ZINC000299742542 384071175 /nfs/dbraw/zinc/07/11/75/384071175.db2.gz JZUYIGNKNXJAGN-YPMHNXCESA-N 1 0 249.314 0.268 10 0 BCAERO Nc1nncc(-c2ccc(C[NH3+])cc2)n1 ZINC000038343257 384081524 /nfs/dbraw/zinc/08/15/24/384081524.db2.gz GFDFWUMTBGLCSC-UHFFFAOYSA-N 1 0 201.233 0.580 10 0 BCAERO [NH3+]C[C@]1(O)C(c2ccccc2)=CC=C[C@@H]1O ZINC000039097594 384102422 /nfs/dbraw/zinc/10/24/22/384102422.db2.gz KFSUPIZWFZNOSV-STQMWFEESA-N 1 0 217.268 0.691 10 0 BCAERO CC[C@@H]([NH3+])CNc1nc(C)cc(OC)n1 ZINC000163184474 384122187 /nfs/dbraw/zinc/12/21/87/384122187.db2.gz RRLPNVHUSPRFBZ-MRVPVSSYSA-N 1 0 210.281 0.943 10 0 BCAERO N[C@@H](C(=O)OCc1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000091364530 384123921 /nfs/dbraw/zinc/12/39/21/384123921.db2.gz CUTCHFVLAUIOSV-VXGBXAGGSA-N 1 0 234.299 0.667 10 0 BCAERO COC[C@@]1(C(=O)N2CC[C@H](OC)C2)CCC[NH2+]1 ZINC000643706052 384126617 /nfs/dbraw/zinc/12/66/17/384126617.db2.gz JZFHBSXFOONODZ-CMPLNLGQSA-N 1 0 242.319 0.002 10 0 BCAERO C[C@H]1CN(C(=O)[C@H]2C[NH2+]CCOC2)C[C@H]1C ZINC000643705890 384128021 /nfs/dbraw/zinc/12/80/21/384128021.db2.gz DTANBHLGWFGMDX-AXFHLTTASA-N 1 0 226.320 0.337 10 0 BCAERO CCOc1cncc(NC[C@H](C)C[NH3+])n1 ZINC000084901595 384128344 /nfs/dbraw/zinc/12/83/44/384128344.db2.gz GQXBRPIOIMGHDE-MRVPVSSYSA-N 1 0 210.281 0.882 10 0 BCAERO CN(C[C@H]1CCC[C@H]1O)C(=O)[C@H]1CC[NH2+]C1 ZINC000648167047 384151673 /nfs/dbraw/zinc/15/16/73/384151673.db2.gz QFUHHMDYQWAHPI-HBNTYKKESA-N 1 0 226.320 0.215 10 0 BCAERO [NH3+][C@@H](O)[C@@H](CCO)C(=O)OCc1ccccc1 ZINC000071186797 384152946 /nfs/dbraw/zinc/15/29/46/384152946.db2.gz BPCZLGWEYJOEGX-MNOVXSKESA-N 1 0 239.271 0.006 10 0 BCAERO O=C([C@@H]1CC12CC2)N1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC000648135999 384156434 /nfs/dbraw/zinc/15/64/34/384156434.db2.gz HGXQYHUCWCDIBJ-AXFHLTTASA-N 1 0 236.315 0.376 10 0 BCAERO CCN(CC(F)F)C(=O)[C@@H]1C[NH2+]CCOC1 ZINC000643781265 384157279 /nfs/dbraw/zinc/15/72/79/384157279.db2.gz NYXCCUYHRGLONX-MRVPVSSYSA-N 1 0 236.262 0.336 10 0 BCAERO CCO[C@@H]1C[C@H]1C(=O)N[C@](C)(C[NH3+])C(C)C ZINC000262649363 384145539 /nfs/dbraw/zinc/14/55/39/384145539.db2.gz WXDGRHYTTGLSKH-CKYFFXLPSA-N 1 0 228.336 0.901 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)N(C)C[C@@H]1CCC[C@H]1O ZINC000648167119 384158608 /nfs/dbraw/zinc/15/86/08/384158608.db2.gz ZVXPKCBMTVBGLY-QJPTWQEYSA-N 1 0 242.363 0.979 10 0 BCAERO COC[C@@]1(C(=O)NCC2CC2)CCC[NH2+]1 ZINC000643626666 384165629 /nfs/dbraw/zinc/16/56/29/384165629.db2.gz ODBMJOYNRDZCQS-LLVKDONJSA-N 1 0 212.293 0.281 10 0 BCAERO CCN(C(=O)[C@H]1C[NH2+]CCOC1)C1CCC1 ZINC000643709610 384168320 /nfs/dbraw/zinc/16/83/20/384168320.db2.gz GLOLFFBUNGKPFW-JTQLQIEISA-N 1 0 226.320 0.623 10 0 BCAERO CC[C@H](CCO)NC(=O)[C@@H]([NH3+])C(C)C ZINC000163261762 384201460 /nfs/dbraw/zinc/20/14/60/384201460.db2.gz BDOWGAFXDYHIKU-BDAKNGLRSA-N 1 0 202.298 0.247 10 0 BCAERO CCCCOC[C@@H](O)C[N@@H+]1CC[C@@H](CCO)C1 ZINC000227908124 134398731 /nfs/dbraw/zinc/39/87/31/134398731.db2.gz WEDMMTYTTAXFBC-STQMWFEESA-N 1 0 245.363 0.868 10 0 BCAERO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1[NH2+]C1CCC1 ZINC000309863478 384187879 /nfs/dbraw/zinc/18/78/79/384187879.db2.gz NQEFOFMYQWENSW-WDEREUQCSA-N 1 0 246.376 0.989 10 0 BCAERO CCC(CC)CNC(=O)[C@@H]1C[NH2+]CCOC1 ZINC000643629081 384191545 /nfs/dbraw/zinc/19/15/45/384191545.db2.gz MGHPLIGAYSRECQ-LLVKDONJSA-N 1 0 228.336 0.775 10 0 BCAERO CCCN(CC)C(=O)[C@H]1C[NH2+]CCOC1 ZINC000643629493 384191863 /nfs/dbraw/zinc/19/18/63/384191863.db2.gz MGBMITUZTKDPGE-JTQLQIEISA-N 1 0 214.309 0.481 10 0 BCAERO COC[C@]1(C(=O)N(C)CC(C)C)CCC[NH2+]1 ZINC000643629924 384194230 /nfs/dbraw/zinc/19/42/30/384194230.db2.gz HDAMZTXDPVFFFY-LBPRGKRZSA-N 1 0 228.336 0.869 10 0 BCAERO O=C(NCCC1CCCC1)[C@@H]1C[NH2+]CCOC1 ZINC000643638556 384241070 /nfs/dbraw/zinc/24/10/70/384241070.db2.gz FIOWQCGKJWGIEM-GFCCVEGCSA-N 1 0 240.347 0.919 10 0 BCAERO CC(C)CCN(C)C(=O)[C@@H]1C[NH2+]CCOC1 ZINC000643634789 384210677 /nfs/dbraw/zinc/21/06/77/384210677.db2.gz GTZSEACMNBSDCR-LLVKDONJSA-N 1 0 228.336 0.727 10 0 BCAERO CS[C@H](C)CNC(=O)C1([NH3+])CCOCC1 ZINC000163274221 384212609 /nfs/dbraw/zinc/21/26/09/384212609.db2.gz SYOQYLDQHXKJMD-MRVPVSSYSA-N 1 0 232.349 0.362 10 0 BCAERO COC[C@@]1(C(=O)NC2CCOCC2)CCC[NH2+]1 ZINC000643639122 384248626 /nfs/dbraw/zinc/24/86/26/384248626.db2.gz BZFVGFIKKSTLHK-GFCCVEGCSA-N 1 0 242.319 0.050 10 0 BCAERO CC[C@@H](CSC)NC(=O)[C@@H]1CCC[NH2+]1 ZINC000163311257 384258311 /nfs/dbraw/zinc/25/83/11/384258311.db2.gz NRSLBXZMHAEXHT-IUCAKERBSA-N 1 0 216.350 0.996 10 0 BCAERO C[C@@H]1COC[C@@H](C)[NH+]1CCCN1CCOCC1 ZINC000173790183 384259614 /nfs/dbraw/zinc/25/96/14/384259614.db2.gz UNSUICOPPUHCFB-CHWSQXEVSA-N 1 0 242.363 0.818 10 0 BCAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]CCc1cccnc1 ZINC000282375173 384261449 /nfs/dbraw/zinc/26/14/49/384261449.db2.gz ODYRAJHQXNXANC-CMPLNLGQSA-N 1 0 233.315 0.881 10 0 BCAERO Cc1cncc(C(=O)N2CC[C@@H]([NH3+])[C@@H]2C)c1 ZINC000335555424 384323033 /nfs/dbraw/zinc/32/30/33/384323033.db2.gz DRFWTCGODGARML-GXSJLCMTSA-N 1 0 219.288 0.952 10 0 BCAERO COC(=O)[C@H]1C[C@H]1C(=O)NCC[NH2+]C(C)(C)C ZINC000174248809 384311814 /nfs/dbraw/zinc/31/18/14/384311814.db2.gz SDHZQOSSMPCWRI-BDAKNGLRSA-N 1 0 242.319 0.300 10 0 BCAERO COC[C@@]1(C(=O)N2CCCOCC2)CCC[NH2+]1 ZINC000643645878 384290922 /nfs/dbraw/zinc/29/09/22/384290922.db2.gz NJBKZMXDIJNOBQ-GFCCVEGCSA-N 1 0 242.319 0.004 10 0 BCAERO Cc1nc(N)nc(NC[C@@H]2CCC[C@@H]2O)n1 ZINC000304437421 384297946 /nfs/dbraw/zinc/29/79/46/384297946.db2.gz HISNNGOVKRNTGF-YUMQZZPRSA-N 1 0 223.280 0.335 10 0 BCAERO COCCOCCN1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000094351196 384298257 /nfs/dbraw/zinc/29/82/57/384298257.db2.gz HWNSBZFGKUNSCD-CHWSQXEVSA-N 1 0 242.363 0.818 10 0 BCAERO O=[S@](C[C@H]1CCC[NH2+]1)c1ccnc(Cl)n1 ZINC000095070109 384335299 /nfs/dbraw/zinc/33/52/99/384335299.db2.gz LDXQNHMEBZIWIE-MLXNANBUSA-N 1 0 245.735 0.990 10 0 BCAERO O=[S@](C[C@H]1CC[NH2+]C1)c1ncc(Cl)cn1 ZINC000095070031 384335448 /nfs/dbraw/zinc/33/54/48/384335448.db2.gz RIWRGBZPWAAMRX-ZIDLFYJRSA-N 1 0 245.735 0.847 10 0 BCAERO CN(c1nc2cccnc2[nH]1)[C@H]1CC[NH2+]C1 ZINC000095070590 384336916 /nfs/dbraw/zinc/33/69/16/384336916.db2.gz QHWZRWLVURJQAI-QMMMGPOBSA-N 1 0 217.276 0.708 10 0 BCAERO CN(CC(=O)c1ccc[nH]1)[C@@H]1CC[NH2+]C1 ZINC000095070687 384337124 /nfs/dbraw/zinc/33/71/24/384337124.db2.gz QVNDWSJAFSIVLC-SECBINFHSA-N 1 0 207.277 0.491 10 0 BCAERO O=[S@](c1cc(Cl)ncn1)[C@H]1CC[NH2+]C1 ZINC000095070418 384337255 /nfs/dbraw/zinc/33/72/55/384337255.db2.gz ZLMHYQBGYDWIGI-DXRPGJJCSA-N 1 0 231.708 0.600 10 0 BCAERO CN(Cc1ccnc(Cl)n1)[C@@H]1CC[NH2+]C1 ZINC000095070734 384338102 /nfs/dbraw/zinc/33/81/02/384338102.db2.gz ZUZDXIGUZFBUFY-SECBINFHSA-N 1 0 226.711 0.924 10 0 BCAERO Cc1ccc(N(C)C[C@H]2CC[NH2+]C2)nn1 ZINC000095071191 384339017 /nfs/dbraw/zinc/33/90/17/384339017.db2.gz DKCJIRPFGMBBQI-JTQLQIEISA-N 1 0 206.293 0.831 10 0 BCAERO COc1nccnc1CN1CCC[C@@H]([NH3+])C1 ZINC000095071612 384340312 /nfs/dbraw/zinc/34/03/12/384340312.db2.gz GFPHBOFTILRALP-SECBINFHSA-N 1 0 222.292 0.408 10 0 BCAERO O=[S@@](c1ncc(F)cn1)C1CC[NH2+]CC1 ZINC000095071997 384340696 /nfs/dbraw/zinc/34/06/96/384340696.db2.gz QUWIPJVCCMRFAV-HNNXBMFYSA-N 1 0 229.280 0.475 10 0 BCAERO COc1nccnc1CNC[C@H]1CC[NH2+]C1 ZINC000095071636 384340737 /nfs/dbraw/zinc/34/07/37/384340737.db2.gz UJDSRDDWLPEXCZ-VIFPVBQESA-N 1 0 222.292 0.184 10 0 BCAERO COc1nccnc1CN(C)[C@H]1CC[NH2+]C1 ZINC000095071587 384341200 /nfs/dbraw/zinc/34/12/00/384341200.db2.gz AOOYZAPUKBLOSS-VIFPVBQESA-N 1 0 222.292 0.279 10 0 BCAERO O=S(=O)(C[C@@H]1CCC[NH2+]1)c1ncc(F)cn1 ZINC000095071981 384341250 /nfs/dbraw/zinc/34/12/50/384341250.db2.gz BWLYVUMPGZKYEK-QMMMGPOBSA-N 1 0 245.279 0.141 10 0 BCAERO COc1nccnc1CN[C@@H]1CCCC[C@H]1[NH3+] ZINC000095071626 384341736 /nfs/dbraw/zinc/34/17/36/384341736.db2.gz CYMQKCYXNGQGMT-NXEZZACHSA-N 1 0 236.319 0.845 10 0 BCAERO [NH3+][C@@H]1CCCN(CC(=O)c2cnccn2)C1 ZINC000095072364 384343385 /nfs/dbraw/zinc/34/33/85/384343385.db2.gz BCGDZUQFMBKACE-SECBINFHSA-N 1 0 220.276 0.082 10 0 BCAERO [NH3+]C[C@@H]1CCN(c2nccc(Cl)n2)C1 ZINC000095072660 384343464 /nfs/dbraw/zinc/34/34/64/384343464.db2.gz QDCIXPHAYACTFB-ZETCQYMHSA-N 1 0 212.684 0.915 10 0 BCAERO [NH3+]C[C@H]1CCCN1c1nc2cccnc2[nH]1 ZINC000095072610 384343505 /nfs/dbraw/zinc/34/35/05/384343505.db2.gz XGPKRBQYTVHHTC-MRVPVSSYSA-N 1 0 217.276 0.837 10 0 BCAERO [NH3+]C[C@@H]1CCN(c2cc(Cl)ncn2)C1 ZINC000095072664 384343513 /nfs/dbraw/zinc/34/35/13/384343513.db2.gz USFMNLDZYRTWNT-ZETCQYMHSA-N 1 0 212.684 0.915 10 0 BCAERO CC[C@H](C)[C@H](C)NC(=O)[C@@H]1C[NH2+]CCOC1 ZINC000643652711 384344660 /nfs/dbraw/zinc/34/46/60/384344660.db2.gz QWRQEHFTHHOGRU-GARJFASQSA-N 1 0 228.336 0.773 10 0 BCAERO O=S(=O)(Cc1cncs1)[C@@H]1CCC[NH2+]C1 ZINC000095073134 384344784 /nfs/dbraw/zinc/34/47/84/384344784.db2.gz DARKVPVNXPOKDU-SECBINFHSA-N 1 0 246.357 0.810 10 0 BCAERO O=C(CNC[C@H]1CCC[NH2+]C1)c1ccc[nH]1 ZINC000095072792 384345335 /nfs/dbraw/zinc/34/53/35/384345335.db2.gz ORAYMGRLXDYYLH-JTQLQIEISA-N 1 0 221.304 0.787 10 0 BCAERO O=C(COC[C@@H]1CC[NH2+]C1)c1ccc[nH]1 ZINC000095072893 384345744 /nfs/dbraw/zinc/34/57/44/384345744.db2.gz PFSZBOXQMCDDIS-SECBINFHSA-N 1 0 208.261 0.824 10 0 BCAERO O=C(CNC[C@@H]1CCC[NH2+]1)c1ccc[nH]1 ZINC000095072779 384345749 /nfs/dbraw/zinc/34/57/49/384345749.db2.gz SZIMPBDGVNKYQF-VIFPVBQESA-N 1 0 207.277 0.539 10 0 BCAERO O=S(=O)(Cc1ccncc1)[C@H]1CC[NH2+]C1 ZINC000095073115 384345803 /nfs/dbraw/zinc/34/58/03/384345803.db2.gz MPXWSIXCYBHILJ-JTQLQIEISA-N 1 0 226.301 0.358 10 0 BCAERO O=S(=O)(Cc1cncs1)[C@H]1CC[NH2+]C1 ZINC000095073133 384346140 /nfs/dbraw/zinc/34/61/40/384346140.db2.gz GUCOXOLYLDBAHY-QMMMGPOBSA-N 1 0 232.330 0.420 10 0 BCAERO O=C(CNC[C@H]1CCC[NH2+]C1)c1ccccn1 ZINC000095072798 384346164 /nfs/dbraw/zinc/34/61/64/384346164.db2.gz CBXYACYPVDMIRV-NSHDSACASA-N 1 0 233.315 0.854 10 0 BCAERO O=C(CNC[C@@H]1CCC[NH2+]C1)c1ccccn1 ZINC000095072797 384346247 /nfs/dbraw/zinc/34/62/47/384346247.db2.gz CBXYACYPVDMIRV-LLVKDONJSA-N 1 0 233.315 0.854 10 0 BCAERO O=S(=O)(C[C@@H]1CCCC[NH2+]1)c1ccncc1 ZINC000095073143 384346342 /nfs/dbraw/zinc/34/63/42/384346342.db2.gz HJMHYIHQWRVLIL-JTQLQIEISA-N 1 0 240.328 0.997 10 0 BCAERO O=[S@@](c1cnccn1)[C@H]1CCC[NH2+]C1 ZINC000095073385 384347127 /nfs/dbraw/zinc/34/71/27/384347127.db2.gz IYXFCTVNURVDKM-RTHLEPHNSA-N 1 0 211.290 0.336 10 0 BCAERO C[C@@H]([NH3+])C(=O)NCc1cn2c(n1)CCCC2 ZINC000083935023 384347636 /nfs/dbraw/zinc/34/76/36/384347636.db2.gz LCCYZQSUSDFXBS-MRVPVSSYSA-N 1 0 222.292 0.183 10 0 BCAERO O=[S@](C[C@@H]1CCCC[NH2+]1)c1ncccn1 ZINC000095073489 384347868 /nfs/dbraw/zinc/34/78/68/384347868.db2.gz DKSUCBUHZHDLFK-VFZGTOFNSA-N 1 0 225.317 0.726 10 0 BCAERO O=S(=O)(C[C@H]1CCC[NH2+]C1)c1nccs1 ZINC000095073212 384348050 /nfs/dbraw/zinc/34/80/50/384348050.db2.gz HASMREZNLZXSJT-QMMMGPOBSA-N 1 0 246.357 0.916 10 0 BCAERO O=[S@@](c1ccncc1)[C@H]1CCC[NH2+]C1 ZINC000095073377 384348465 /nfs/dbraw/zinc/34/84/65/384348465.db2.gz FRMSITXZPHAAFP-IINYFYTJSA-N 1 0 210.302 0.941 10 0 BCAERO O=[S@@](C[C@H]1CCC[NH2+]1)c1ccncc1 ZINC000095073538 384348658 /nfs/dbraw/zinc/34/86/58/384348658.db2.gz UMMPFWIGTKLSNT-YMTOWFKASA-N 1 0 210.302 0.941 10 0 BCAERO O=S(=O)(C[C@@H]1CC[NH2+]C1)c1ccncc1 ZINC000095073233 384348935 /nfs/dbraw/zinc/34/89/35/384348935.db2.gz ZOYXXOIEOWXFMJ-SECBINFHSA-N 1 0 226.301 0.465 10 0 BCAERO O=[S@@](C[C@H]1CC[NH2+]C1)c1ncccn1 ZINC000095073670 384349788 /nfs/dbraw/zinc/34/97/88/384349788.db2.gz HZCZWMPOXZVLFT-RMLUDKJBSA-N 1 0 211.290 0.194 10 0 BCAERO CNS(=O)(=O)[C@@H](C)c1nccn1C1CC1 ZINC000095075994 384350171 /nfs/dbraw/zinc/35/01/71/384350171.db2.gz XGCZEMKILANGQK-ZETCQYMHSA-N 1 0 229.305 0.828 10 0 BCAERO O=[S@](C[C@H]1CC[NH2+]C1)c1ccncc1 ZINC000095073659 384350758 /nfs/dbraw/zinc/35/07/58/384350758.db2.gz SOXGEGWZGHCCHL-XPTSAGLGSA-N 1 0 210.302 0.799 10 0 BCAERO C[C@@H]1[NH2+]CCC[C@H]1NS(=O)(=O)CC1CCC1 ZINC000335587132 384351495 /nfs/dbraw/zinc/35/14/95/384351495.db2.gz VICWHNDMBHFMCF-GXSJLCMTSA-N 1 0 246.376 0.846 10 0 BCAERO [NH3+][C@H]1CCCC[C@@H]1NCc1cnccn1 ZINC000095077421 384352905 /nfs/dbraw/zinc/35/29/05/384352905.db2.gz USLRCNKDBAAJRH-QWRGUYRKSA-N 1 0 206.293 0.836 10 0 BCAERO [NH3+]C[C@@H]1CC[C@@]2(CC[N@H+](CC(=O)[O-])C2)C1 ZINC000095077540 384352963 /nfs/dbraw/zinc/35/29/63/384352963.db2.gz JUOYGIFQPIJBAF-MWLCHTKSSA-N 1 0 212.293 0.522 10 0 BCAERO c1cnc(CNC[C@@H]2CCCC[NH2+]2)cn1 ZINC000095092649 384362516 /nfs/dbraw/zinc/36/25/16/384362516.db2.gz GZEZYUKJNFQDKX-JTQLQIEISA-N 1 0 206.293 0.708 10 0 BCAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]Cc1ccccn1 ZINC000335605228 384374568 /nfs/dbraw/zinc/37/45/68/384374568.db2.gz BYJLTBISYINHHC-ONGXEEELSA-N 1 0 219.288 0.838 10 0 BCAERO Cn1nccc1[C@H]1[C@@H]([NH3+])CCC(=O)N1C1CC1 ZINC000159922126 384371462 /nfs/dbraw/zinc/37/14/62/384371462.db2.gz XZNZJLISMARZCN-JOYOIKCWSA-N 1 0 234.303 0.573 10 0 BCAERO C[C@H]1C[C@H]([NH2+]C2CCN(CCO)CC2)CO1 ZINC000401986246 384372635 /nfs/dbraw/zinc/37/26/35/384372635.db2.gz BZEMZVFYDDCBNN-JQWIXIFHSA-N 1 0 228.336 0.210 10 0 BCAERO Cc1ccnc(S(=O)(=O)[C@@H]2CCC[NH2+]C2)n1 ZINC000095069235 384331797 /nfs/dbraw/zinc/33/17/97/384331797.db2.gz XXNOZVZKUYPPHP-SECBINFHSA-N 1 0 241.316 0.311 10 0 BCAERO Cc1ccc([S@@](=O)[C@H]2CC[NH2+]C2)nn1 ZINC000095069109 384332594 /nfs/dbraw/zinc/33/25/94/384332594.db2.gz MEDJMWRAFSCZSO-RMLUDKJBSA-N 1 0 211.290 0.255 10 0 BCAERO O=[S@@](C[C@H]1CCC[NH2+]1)c1ncc(Cl)cn1 ZINC000095070022 384333712 /nfs/dbraw/zinc/33/37/12/384333712.db2.gz OISSLVNAAAKSBB-ANRSDYALSA-N 1 0 245.735 0.990 10 0 BCAERO O=[S@](c1ccc(Cl)nn1)[C@@H]1CCC[NH2+]C1 ZINC000095069946 384334799 /nfs/dbraw/zinc/33/47/99/384334799.db2.gz PBNAANKFPVMCQK-KWKYVRJSSA-N 1 0 245.735 0.990 10 0 BCAERO C[C@H]1C[C@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000625741898 384397086 /nfs/dbraw/zinc/39/70/86/384397086.db2.gz HIIPWTWNGCOGNZ-QCLAVDOMSA-N 1 0 212.293 0.217 10 0 BCAERO COC[C@@H](C)CNC(=O)[C@]1(COC)CCC[NH2+]1 ZINC000643660908 384405895 /nfs/dbraw/zinc/40/58/95/384405895.db2.gz HLLVHJBNWFGRJO-CMPLNLGQSA-N 1 0 244.335 0.154 10 0 BCAERO CC1(C(=O)N2CCOCC2)CC[NH2+]CC1 ZINC000014984834 384411579 /nfs/dbraw/zinc/41/15/79/384411579.db2.gz RVYFHFUMZBHYRY-UHFFFAOYSA-N 1 0 212.293 0.235 10 0 BCAERO COC[C@]1(C(=O)N(C)CC(F)F)CCC[NH2+]1 ZINC000643661947 384414707 /nfs/dbraw/zinc/41/47/07/384414707.db2.gz FJXFLSTZZWOZLH-JTQLQIEISA-N 1 0 236.262 0.479 10 0 BCAERO CCOC[C@H](O)C[NH+]1[C@@H](C)COC[C@@H]1C ZINC000077657752 384415289 /nfs/dbraw/zinc/41/52/89/384415289.db2.gz YAONYOKSFUVVHM-GARJFASQSA-N 1 0 217.309 0.493 10 0 BCAERO COC[C@@]1(C(=O)N(C)CC(F)F)CCC[NH2+]1 ZINC000643661956 384416179 /nfs/dbraw/zinc/41/61/79/384416179.db2.gz FJXFLSTZZWOZLH-SNVBAGLBSA-N 1 0 236.262 0.479 10 0 BCAERO [NH3+][C@H]1CC[C@@H](C(=O)Nc2ccnc3ccnn32)C1 ZINC000237878181 384416652 /nfs/dbraw/zinc/41/66/52/384416652.db2.gz GYAJDQRXKYNOJE-BDAKNGLRSA-N 1 0 245.286 0.795 10 0 BCAERO COC(C)(C)C(=O)N1C[C@@H](C)[C@@H]([NH+](C)C)C1 ZINC000229729886 384417500 /nfs/dbraw/zinc/41/75/00/384417500.db2.gz IWCQBTYLARVESI-ZJUUUORDSA-N 1 0 228.336 0.820 10 0 BCAERO CCSCCN1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC000404181393 384421249 /nfs/dbraw/zinc/42/12/49/384421249.db2.gz DSNMXFFZVJAITC-MNOVXSKESA-N 1 0 230.377 0.802 10 0 BCAERO CC(C)(C)OC(=O)N1CC[C@H](CO)[C@@H]([NH3+])C1 ZINC000096032662 384422189 /nfs/dbraw/zinc/42/21/89/384422189.db2.gz LRCPRHFAAYJMHG-BDAKNGLRSA-N 1 0 230.308 0.563 10 0 BCAERO CC(CO)(CO)[NH2+]Cc1cccc(F)c1 ZINC000096033139 384423557 /nfs/dbraw/zinc/42/35/57/384423557.db2.gz OBUOFOUKQQBXFL-UHFFFAOYSA-N 1 0 213.252 0.659 10 0 BCAERO CC(CO)(CO)[NH2+]Cc1ccccc1F ZINC000096033137 384423767 /nfs/dbraw/zinc/42/37/67/384423767.db2.gz DRLJRKUPCMCRBX-UHFFFAOYSA-N 1 0 213.252 0.659 10 0 BCAERO COC[C@]1(C(=O)NC[C@@H](C)C2CC2)CCC[NH2+]1 ZINC000643657925 384375446 /nfs/dbraw/zinc/37/54/46/384375446.db2.gz IZKFBKXOTKNLHW-MFKMUULPSA-N 1 0 240.347 0.917 10 0 BCAERO CN(CCC1CC1)C(=O)[C@@H]1C[NH2+]CCOC1 ZINC000643793469 384453067 /nfs/dbraw/zinc/45/30/67/384453067.db2.gz PSWQICCPJGEGIQ-LLVKDONJSA-N 1 0 226.320 0.481 10 0 BCAERO C[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCCCO2)C1 ZINC000122309050 384475072 /nfs/dbraw/zinc/47/50/72/384475072.db2.gz GXNHUXAKBAPQAD-QWRGUYRKSA-N 1 0 226.320 0.718 10 0 BCAERO CC[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1C[NH2+]CCOC1 ZINC000643726143 384477224 /nfs/dbraw/zinc/47/72/24/384477224.db2.gz JPBGQBCEDIHXBB-UTUOFQBUSA-N 1 0 240.347 0.917 10 0 BCAERO C[C@@H](c1cnccn1)[N@@H+]1CCC[C@H]1CO ZINC000252257125 384496860 /nfs/dbraw/zinc/49/68/60/384496860.db2.gz MYUHHXZELANAQP-UWVGGRQHSA-N 1 0 207.277 0.994 10 0 BCAERO C[C@H](c1cnccn1)[N@@H+]1CCC[C@H]1CO ZINC000252257126 384496912 /nfs/dbraw/zinc/49/69/12/384496912.db2.gz MYUHHXZELANAQP-ZJUUUORDSA-N 1 0 207.277 0.994 10 0 BCAERO C[C@]1(CNC(=O)[C@H]2CCC[NH2+]C2)CCOC1 ZINC000335696504 384487971 /nfs/dbraw/zinc/48/79/71/384487971.db2.gz QNGJRTPCXRHXEX-CMPLNLGQSA-N 1 0 226.320 0.529 10 0 BCAERO CCCC(C)(C)NC(=O)[C@H]1C[NH2+]CCOC1 ZINC000643670565 384493064 /nfs/dbraw/zinc/49/30/64/384493064.db2.gz DYGGFSRIOFLEAO-JTQLQIEISA-N 1 0 228.336 0.917 10 0 BCAERO C[NH2+][C@H]1CCCCC[C@@H]1S(C)(=O)=O ZINC000054930193 384512408 /nfs/dbraw/zinc/51/24/08/384512408.db2.gz KKZKBPRUPCQFOI-IUCAKERBSA-N 1 0 205.323 0.952 10 0 BCAERO C[NH2+][C@H]1CCCCC[C@H]1S(C)(=O)=O ZINC000054930195 384513425 /nfs/dbraw/zinc/51/34/25/384513425.db2.gz KKZKBPRUPCQFOI-DTWKUNHWSA-N 1 0 205.323 0.952 10 0 BCAERO C[C@H]1CCCCN(C(=O)[C@@H]2C[NH2+]CCOC2)C1 ZINC000643793904 384516378 /nfs/dbraw/zinc/51/63/78/384516378.db2.gz IJYOQXLBTZEKPD-NWDGAFQWSA-N 1 0 240.347 0.871 10 0 BCAERO C[NH+](C)[C@@H]1CCN(C(=O)CC[C@H]2CCOC2)C1 ZINC000175979193 384521864 /nfs/dbraw/zinc/52/18/64/384521864.db2.gz XZHCBONDMMZOTF-NWDGAFQWSA-N 1 0 240.347 0.966 10 0 BCAERO COC(=O)c1ccc(CN2C[C@@H](C)[C@@H]([NH3+])C2)nc1 ZINC000234571458 384538587 /nfs/dbraw/zinc/53/85/87/384538587.db2.gz JJUAEHROFTYDJQ-SKDRFNHKSA-N 1 0 249.314 0.647 10 0 BCAERO Cn1ccc(C[NH2+][C@@H]2CCCNC2=O)c1 ZINC000085604151 384540357 /nfs/dbraw/zinc/54/03/57/384540357.db2.gz KMOSBGZXLGEHHI-SNVBAGLBSA-N 1 0 207.277 0.393 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N1CCC[C@H](CC(N)=O)C1 ZINC000236804667 384573653 /nfs/dbraw/zinc/57/36/53/384573653.db2.gz DDCIEWLXXWWDAL-ZJUUUORDSA-N 1 0 241.335 0.228 10 0 BCAERO CO[C@H]1C[NH2+][C@@H](C(=O)N(C)C(C)C)C1 ZINC000040630466 384590107 /nfs/dbraw/zinc/59/01/07/384590107.db2.gz NADOZTDBLSBJFH-RKDXNWHRSA-N 1 0 200.282 0.230 10 0 BCAERO CCn1ccnc1C[NH2+]CC1CC(O)C1 ZINC000084446137 384620531 /nfs/dbraw/zinc/62/05/31/384620531.db2.gz PJNBTQVNIDGBQW-UHFFFAOYSA-N 1 0 209.293 0.764 10 0 BCAERO CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](C)COC ZINC000103519720 384629641 /nfs/dbraw/zinc/62/96/41/384629641.db2.gz MBHDMVDKSNVPPS-QWRGUYRKSA-N 1 0 228.336 0.869 10 0 BCAERO COC[C@@H](C)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000103435053 384631072 /nfs/dbraw/zinc/63/10/72/384631072.db2.gz FTKDYHDPCAEJGV-NEPJUHHUSA-N 1 0 240.347 0.966 10 0 BCAERO C[NH2+][C@@H](C)C(=O)N1[C@H](C)COC[C@@H]1C ZINC000517959954 384592804 /nfs/dbraw/zinc/59/28/04/384592804.db2.gz JLSBWYIYTVDBOJ-YIZRAAEISA-N 1 0 200.282 0.230 10 0 BCAERO COC(=O)CN1CCC[C@H]1c1cnn(C)c1 ZINC000171504802 384593932 /nfs/dbraw/zinc/59/39/32/384593932.db2.gz IQGJHGKFHIRTLU-JTQLQIEISA-N 1 0 223.276 0.730 10 0 BCAERO COC(=O)[C@@H](C)NC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000084310418 384664912 /nfs/dbraw/zinc/66/49/12/384664912.db2.gz RQVXZEWEXIRRRL-IWSPIJDZSA-N 1 0 228.292 0.039 10 0 BCAERO c1nc2n(n1)C[C@@H]([NH2+]C[C@H]1CCSC1)CC2 ZINC000309629983 384670121 /nfs/dbraw/zinc/67/01/21/384670121.db2.gz QYMCEZATMFMIJU-ZJUUUORDSA-N 1 0 238.360 0.936 10 0 BCAERO [NH3+][C@H]1CN(C(=O)OCc2ccccc2)C[C@H]1O ZINC000101225900 384670273 /nfs/dbraw/zinc/67/02/73/384670273.db2.gz IXPLJRREJIUKLG-WDEREUQCSA-N 1 0 236.271 0.327 10 0 BCAERO [NH3+]C[C@H](c1ccsc1)N1CC[C@H](O)C1 ZINC000061709803 384670267 /nfs/dbraw/zinc/67/02/67/384670267.db2.gz IHMGXVSOKKMRBI-VHSXEESVSA-N 1 0 212.318 0.815 10 0 BCAERO C[NH+](C)[C@H]1CC[C@@H](NC(=O)c2nnc[nH]2)C1 ZINC000337157491 384661619 /nfs/dbraw/zinc/66/16/19/384661619.db2.gz QJSJLRUAFWPENW-SFYZADRCSA-N 1 0 223.280 0.017 10 0 BCAERO C/C(=C/Cl)C[N@@H+]1C[C@H](O)[C@@H](CO)C1 ZINC000316066630 384724349 /nfs/dbraw/zinc/72/43/49/384724349.db2.gz HPNALHSFDOMDKT-BSZQFVRZSA-N 1 0 205.685 0.414 10 0 BCAERO CN(Cc1cnccn1)[C@H]1CCC[NH2+]C1 ZINC000082499912 384686422 /nfs/dbraw/zinc/68/64/22/384686422.db2.gz FSJMINOZZOQFIM-NSHDSACASA-N 1 0 206.293 0.660 10 0 BCAERO O=C1NC[C@H](C[N@@H+](CCO)C2CCCCC2)O1 ZINC000049957293 384688761 /nfs/dbraw/zinc/68/87/61/384688761.db2.gz OGSDAMASLDRBDZ-LLVKDONJSA-N 1 0 242.319 0.722 10 0 BCAERO C[C@@H]1C[C@@H]1NS(=O)(=O)C1CC[NH2+]CC1 ZINC000052295967 384728139 /nfs/dbraw/zinc/72/81/39/384728139.db2.gz WSEPJMZQHICJFU-APPZFPTMSA-N 1 0 218.322 0.066 10 0 BCAERO Nc1ncc(Br)cc1C[NH3+] ZINC000082639038 384698635 /nfs/dbraw/zinc/69/86/35/384698635.db2.gz DQWDOHYXWCRROX-UHFFFAOYSA-N 1 0 202.055 0.885 10 0 BCAERO C[NH2+][C@H](C)C(=O)NCc1cccc(C)n1 ZINC000054076939 384729072 /nfs/dbraw/zinc/72/90/72/384729072.db2.gz QOWLHTDNDRLXJH-SECBINFHSA-N 1 0 207.277 0.614 10 0 BCAERO C[C@H]1C[NH2+]CCN1c1nccc(Cl)n1 ZINC000083347184 384762682 /nfs/dbraw/zinc/76/26/82/384762682.db2.gz UVJRBEOLHIUNKG-ZETCQYMHSA-N 1 0 212.684 0.928 10 0 BCAERO C[C@H]1CN(c2nccc(Cl)n2)CC[NH2+]1 ZINC000083347182 384763763 /nfs/dbraw/zinc/76/37/63/384763763.db2.gz XQELEZAAAQFESK-ZETCQYMHSA-N 1 0 212.684 0.928 10 0 BCAERO CC[N@@H+]1CC[C@H](NC(=O)c2cncc(O)c2)C1 ZINC000390027675 384825013 /nfs/dbraw/zinc/82/50/13/384825013.db2.gz XZVFKGLKTDQUKN-JTQLQIEISA-N 1 0 235.287 0.611 10 0 BCAERO COC[C@]1(C(=O)N2CCC[C@H]2C)CCC[NH2+]1 ZINC000643688881 384827060 /nfs/dbraw/zinc/82/70/60/384827060.db2.gz MXGKQUATOUBWGN-PWSUYJOCSA-N 1 0 226.320 0.766 10 0 BCAERO COC[C@@H](C)[NH2+][C@@H]1CCc2nccn2C1 ZINC000375876890 384827404 /nfs/dbraw/zinc/82/74/04/384827404.db2.gz REMXPJPDNBSESZ-NXEZZACHSA-N 1 0 209.293 0.822 10 0 BCAERO C[C@@H](NC(=O)[C@H]1C[NH2+]CCOC1)C1CCCC1 ZINC000643689627 384838063 /nfs/dbraw/zinc/83/80/63/384838063.db2.gz MHEHUNOEHSAOEZ-PWSUYJOCSA-N 1 0 240.347 0.917 10 0 BCAERO C[C@H](NC(=O)[C@@H]1C[NH2+]CCOC1)C1CCCC1 ZINC000643689625 384838183 /nfs/dbraw/zinc/83/81/83/384838183.db2.gz MHEHUNOEHSAOEZ-CMPLNLGQSA-N 1 0 240.347 0.917 10 0 BCAERO CC[C@H]1CN(CCOC)CC[N@@H+]1C[C@@H](C)O ZINC000105826524 384801232 /nfs/dbraw/zinc/80/12/32/384801232.db2.gz ZJRCEMPGYKPRMK-NEPJUHHUSA-N 1 0 230.352 0.410 10 0 BCAERO CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H](C)[C@H](C)CO ZINC000163397392 384804185 /nfs/dbraw/zinc/80/41/85/384804185.db2.gz AYKNMZHXTYYMDE-JXUBOQSCSA-N 1 0 216.325 0.493 10 0 BCAERO COC[C@@H]([NH3+])C(=O)NC[C@@H](C)CC(F)F ZINC000648194067 384812396 /nfs/dbraw/zinc/81/23/96/384812396.db2.gz RVGQLJDTZXZBLL-NKWVEPMBSA-N 1 0 224.251 0.368 10 0 BCAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)N1CC[C@@H]2OCC[C@@H]2C1 ZINC000648195647 384814368 /nfs/dbraw/zinc/81/43/68/384814368.db2.gz MLKKBTJEVVYIKF-WISYIIOYSA-N 1 0 240.347 0.997 10 0 BCAERO CCS[C@@H]1CCC[C@H]1NC(=O)[C@@H]([NH3+])COC ZINC000233828999 384814555 /nfs/dbraw/zinc/81/45/55/384814555.db2.gz ZOMGAVYHVAHENZ-IVZWLZJFSA-N 1 0 246.376 0.751 10 0 BCAERO OC[C@H]1C[C@@H](O)CN1Cc1ccc(Cl)cn1 ZINC000364035417 384878544 /nfs/dbraw/zinc/87/85/44/384878544.db2.gz PONJXKMSXMHXDC-GHMZBOCLSA-N 1 0 242.706 0.663 10 0 BCAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]Cc1ccns1 ZINC000404480232 384879950 /nfs/dbraw/zinc/87/99/50/384879950.db2.gz VZBPIQCPUCGZHF-IONNQARKSA-N 1 0 225.317 0.900 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N[C@H](C)c1cnn(C)c1 ZINC000236920850 384841753 /nfs/dbraw/zinc/84/17/53/384841753.db2.gz SQIZJSUGQIUMNI-SCZZXKLOSA-N 1 0 224.308 0.725 10 0 BCAERO CCC[C@@H]1C[C@@H]1NC(=O)[C@H]1C[NH2+]CCOC1 ZINC000643728479 384843051 /nfs/dbraw/zinc/84/30/51/384843051.db2.gz CRCKZEGYTMXPFI-VWYCJHECSA-N 1 0 226.320 0.527 10 0 BCAERO [NH3+]C[C@H]1CCCN1C(=O)c1cn2c(n1)CCCC2 ZINC000335445776 384843963 /nfs/dbraw/zinc/84/39/63/384843963.db2.gz PBGOSGQFADQYBY-SNVBAGLBSA-N 1 0 248.330 0.783 10 0 BCAERO CC(C)Cc1nnc(CN2CC[NH2+]CC2)[nH]1 ZINC000072236826 384844183 /nfs/dbraw/zinc/84/41/83/384844183.db2.gz YVEATONUNUKILW-UHFFFAOYSA-N 1 0 223.324 0.408 10 0 BCAERO CN1CCN(c2ncncc2Cl)[C@H](C[NH3+])C1 ZINC000163693697 384846204 /nfs/dbraw/zinc/84/62/04/384846204.db2.gz MTXDAKBZHJXUOC-MRVPVSSYSA-N 1 0 241.726 0.209 10 0 BCAERO C[NH2+][C@H](C(N)=O)c1ccc(O)c(Cl)c1 ZINC000043489219 384851578 /nfs/dbraw/zinc/85/15/78/384851578.db2.gz ODFMDNDAGLHLLT-QMMMGPOBSA-N 1 0 214.652 0.791 10 0 BCAERO CN(CCOCC[NH3+])c1ncc(F)cn1 ZINC000301045524 384852535 /nfs/dbraw/zinc/85/25/35/384852535.db2.gz NRVZQVJAQPRJLH-UHFFFAOYSA-N 1 0 214.244 0.027 10 0 BCAERO C[C@H]1C[NH2+]CCN1c1ncncc1Cl ZINC000163729333 384853757 /nfs/dbraw/zinc/85/37/57/384853757.db2.gz KIIBFFQXOULEIY-ZETCQYMHSA-N 1 0 212.684 0.928 10 0 BCAERO Nc1nnc(SC[C@H]2CCC[NH2+]2)s1 ZINC000043497475 384855732 /nfs/dbraw/zinc/85/57/32/384855732.db2.gz YEOUYULYZBZUET-RXMQYKEDSA-N 1 0 216.335 0.964 10 0 BCAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)CC[C@H]1CCOC1 ZINC000401552528 384860170 /nfs/dbraw/zinc/86/01/70/384860170.db2.gz JCCDICWIPLFNIE-OUAUKWLOSA-N 1 0 226.320 0.751 10 0 BCAERO Cn1ccnc1CN1CCO[C@H](C[NH+](C)C)C1 ZINC000105924472 384892786 /nfs/dbraw/zinc/89/27/86/384892786.db2.gz JLHCAIWJGQKRJN-LLVKDONJSA-N 1 0 238.335 0.183 10 0 BCAERO Cc1cc(N2CC[C@@H]3OCC[NH2+][C@H]3C2)nc(C)n1 ZINC000404092947 384896509 /nfs/dbraw/zinc/89/65/09/384896509.db2.gz UYHOLRARTAZFQC-RYUDHWBXSA-N 1 0 248.330 0.661 10 0 BCAERO CC1(C)C[C@@H]1CNC(=O)[C@@H]1C[NH2+]CCOC1 ZINC000643694026 384902708 /nfs/dbraw/zinc/90/27/08/384902708.db2.gz GKCISTQXHHZGGR-NXEZZACHSA-N 1 0 226.320 0.385 10 0 BCAERO CSCCC(=O)N1CC[C@H]([NH3+])[C@H]1C ZINC000335552848 384906605 /nfs/dbraw/zinc/90/66/05/384906605.db2.gz HDGJMLHJYDAULK-SFYZADRCSA-N 1 0 202.323 0.688 10 0 BCAERO Cc1nocc1C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000402525414 384907227 /nfs/dbraw/zinc/90/72/27/384907227.db2.gz HBLMGVZRCBEGSH-ATZCPNFKSA-N 1 0 235.287 0.792 10 0 BCAERO CC[C@@H]([NH3+])[C@H](N)C(=O)OCc1ccccc1 ZINC000149007409 384916033 /nfs/dbraw/zinc/91/60/33/384916033.db2.gz QJJOBYUZKUUIBS-MNOVXSKESA-N 1 0 222.288 0.794 10 0 BCAERO CO[C@H]1C[C@H](CO)[N@H+](Cc2c(C)noc2C)C1 ZINC000310290353 384943665 /nfs/dbraw/zinc/94/36/65/384943665.db2.gz YWFZKHIXUWUSRY-MNOVXSKESA-N 1 0 240.303 0.873 10 0 BCAERO OCC[NH+]1CCC(NCc2ccns2)CC1 ZINC000404316176 384970503 /nfs/dbraw/zinc/97/05/03/384970503.db2.gz HDRIQAXCXGYYKL-UHFFFAOYSA-N 1 0 241.360 0.689 10 0 BCAERO C[C@H](C[NH2+][C@H]1CCCC[C@H]1O)S(C)(=O)=O ZINC000644607888 385011475 /nfs/dbraw/zinc/01/14/75/385011475.db2.gz VJCUGUNRRCFLIV-KXUCPTDWSA-N 1 0 235.349 0.313 10 0 BCAERO CCN1CC[C@@H]([NH2+]C[C@@H](O)C(C)(C)C)C1=O ZINC000644642343 385047553 /nfs/dbraw/zinc/04/75/53/385047553.db2.gz GTAPPEVFLZTNHV-NXEZZACHSA-N 1 0 228.336 0.604 10 0 BCAERO CN(C[C@H](O)C[N@@H+]1CC[C@H](CCO)C1)C1CC1 ZINC000310449587 385072063 /nfs/dbraw/zinc/07/20/63/385072063.db2.gz RYWYIQZVFOHBOY-YPMHNXCESA-N 1 0 242.363 0.146 10 0 BCAERO CC[N@@H+]1CCC[C@@H]1CN(C)[C@@H]1CCN(C)C1=O ZINC000177696997 385082269 /nfs/dbraw/zinc/08/22/69/385082269.db2.gz XUUPFJRCWXLHPM-VXGBXAGGSA-N 1 0 239.363 0.633 10 0 BCAERO CCC[C@H](C(=O)NC[C@H](C)OC)[NH+](C)C ZINC000189169636 385131454 /nfs/dbraw/zinc/13/14/54/385131454.db2.gz CIEPLUBEPNUXSS-VHSXEESVSA-N 1 0 216.325 0.868 10 0 BCAERO [NH3+][C@H]1CCCN(C(=O)Cc2ccccc2O)C1 ZINC000157295346 385133596 /nfs/dbraw/zinc/13/35/96/385133596.db2.gz HVTJARKFGZYWKN-NSHDSACASA-N 1 0 234.299 0.884 10 0 BCAERO C[NH+](C)C[C@@H]1CN(C(=O)C2CC2)CCO1 ZINC000116794489 385085467 /nfs/dbraw/zinc/08/54/67/385085467.db2.gz FNZBMJJYNNEGNA-SNVBAGLBSA-N 1 0 212.293 0.185 10 0 BCAERO COc1nccc(C[NH2+]C[C@@H]2CCC[C@@H]2O)n1 ZINC000295684753 385143792 /nfs/dbraw/zinc/14/37/92/385143792.db2.gz LFJOJGYNDPVOCS-ONGXEEELSA-N 1 0 237.303 0.736 10 0 BCAERO O=C(Nc1ccsc1)[C@H]1C[NH2+]CCOC1 ZINC000643701377 385148592 /nfs/dbraw/zinc/14/85/92/385148592.db2.gz XVHDIHBUWMQMTG-QMMMGPOBSA-N 1 0 226.301 0.923 10 0 BCAERO CC(C)[C@@H]([NH3+])CN1CCn2ccnc2C1 ZINC000062321517 385170535 /nfs/dbraw/zinc/17/05/35/385170535.db2.gz XHHXHYNJBWWORH-JTQLQIEISA-N 1 0 208.309 0.682 10 0 BCAERO c1cc(C[NH2+][C@@H]2CCc3ncnn3C2)c[nH]1 ZINC000165668378 385176043 /nfs/dbraw/zinc/17/60/43/385176043.db2.gz VTRLOPXVIYAUIG-SNVBAGLBSA-N 1 0 217.276 0.711 10 0 BCAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)[C@H]1CC12CCOCC2 ZINC000647044133 385177588 /nfs/dbraw/zinc/17/75/88/385177588.db2.gz CDQYDCJECPRQTK-GMTAPVOTSA-N 1 0 238.331 0.751 10 0 BCAERO C[C@@H]1CN(C(=O)c2ccnc(N(C)C)c2)C[C@H]1[NH3+] ZINC000647084666 385246881 /nfs/dbraw/zinc/24/68/81/385246881.db2.gz UFEXYWSZDZZLOU-MWLCHTKSSA-N 1 0 248.330 0.567 10 0 BCAERO CO[C@@H]1C[C@H](CO)[N@H+](CCc2cnn(C)c2)C1 ZINC000344893166 385312030 /nfs/dbraw/zinc/31/20/30/385312030.db2.gz CCFZPRJMNYXLLH-VXGBXAGGSA-N 1 0 239.319 0.044 10 0 BCAERO C[NH+](C)[C@@H]1CCN(C(=O)c2cccc(F)n2)C1 ZINC000131261348 385321580 /nfs/dbraw/zinc/32/15/80/385321580.db2.gz LSWONPQUZHESRK-SECBINFHSA-N 1 0 237.278 0.997 10 0 BCAERO CC[C@H](NC(=O)[C@]1(C)CCCC[NH2+]1)C(=O)OC ZINC000237042703 385269378 /nfs/dbraw/zinc/26/93/78/385269378.db2.gz DPXKFYIXZGWQIO-CABZTGNLSA-N 1 0 242.319 0.586 10 0 BCAERO C[NH+](C)CCOC(=O)c1ccc(N)cc1O ZINC000033875453 385269591 /nfs/dbraw/zinc/26/95/91/385269591.db2.gz BVSFSNFSSNBBRH-UHFFFAOYSA-N 1 0 224.260 0.693 10 0 BCAERO COc1c(C[NH2+]CCC[C@H](C)O)c(C)nn1C ZINC000227960970 385296620 /nfs/dbraw/zinc/29/66/20/385296620.db2.gz AUBZPLXFOWIADC-VIFPVBQESA-N 1 0 241.335 0.988 10 0 BCAERO O=C(N[C@@H]1C[C@H]2C[C@H]2C1)[C@H]1C[NH2+]CCOC1 ZINC000643808467 385301672 /nfs/dbraw/zinc/30/16/72/385301672.db2.gz AVCTVSBZPMHGRD-VLEAKVRGSA-N 1 0 224.304 0.137 10 0 BCAERO C[C@@H]1[C@@H](O)CCC[N@@H+]1Cc1cnn(C)c1 ZINC000295000059 385366436 /nfs/dbraw/zinc/36/64/36/385366436.db2.gz LFHPJSKKHGRETF-KOLCDFICSA-N 1 0 209.293 0.765 10 0 BCAERO C[C@H]([NH2+][C@@H]1CCCNC1=O)[C@@H]1CCCO1 ZINC000309031694 385378757 /nfs/dbraw/zinc/37/87/57/385378757.db2.gz CCABBDZDPAFQJV-AEJSXWLSSA-N 1 0 212.293 0.422 10 0 BCAERO C[C@H](NC(=O)[C@H]1[NH2+]CC1(C)C)[C@H]1CCCO1 ZINC000644020913 385384303 /nfs/dbraw/zinc/38/43/03/385384303.db2.gz BAISZFXHWHEGNQ-IVZWLZJFSA-N 1 0 226.320 0.668 10 0 BCAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]Cc1cnc[nH]1 ZINC000309095062 385404915 /nfs/dbraw/zinc/40/49/15/385404915.db2.gz CLWXYDFYAXQIIE-CBAPKCEASA-N 1 0 208.265 0.166 10 0 BCAERO CC(C)[C@H]1OCC[C@H]1C[NH2+][C@@H](C)C(N)=O ZINC000309074340 385406276 /nfs/dbraw/zinc/40/62/76/385406276.db2.gz IRYCAJYQGWFAHS-LPEHRKFASA-N 1 0 214.309 0.511 10 0 BCAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]C[C@H]1CCOC1 ZINC000309158722 385442068 /nfs/dbraw/zinc/44/20/68/385442068.db2.gz YDOVTZMOEXBMNX-AEJSXWLSSA-N 1 0 212.293 0.280 10 0 BCAERO Cc1c(C(=O)N2CC[C@@H]([NH+](C)C)C2)cnn1C ZINC000170856093 385450619 /nfs/dbraw/zinc/45/06/19/385450619.db2.gz VBMWFHGZWCFQPO-SNVBAGLBSA-N 1 0 236.319 0.505 10 0 BCAERO Cn1cc(C(=O)N2CC[C@H]([NH+](C)C)C2)ccc1=O ZINC000170865853 385451029 /nfs/dbraw/zinc/45/10/29/385451029.db2.gz YDGCMUANABCHFZ-NSHDSACASA-N 1 0 249.314 0.161 10 0 BCAERO COCCN1CC[N@H+](C[C@@H](C)OC)C[C@H]1C ZINC000182137693 385432653 /nfs/dbraw/zinc/43/26/53/385432653.db2.gz FTJGWELHZFTSKZ-VXGBXAGGSA-N 1 0 230.352 0.674 10 0 BCAERO Cc1nnc(C[NH2+][C@H](C)[C@@H]2CCCO2)[nH]1 ZINC000309152446 385436759 /nfs/dbraw/zinc/43/67/59/385436759.db2.gz WQENXAZMHZCCAM-APPZFPTMSA-N 1 0 210.281 0.770 10 0 BCAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)c1ccncc1F ZINC000309236319 385493614 /nfs/dbraw/zinc/49/36/14/385493614.db2.gz VGRNAMIBYIQKQV-GMSGAONNSA-N 1 0 223.251 0.782 10 0 BCAERO COC(=O)CC[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000171635310 385503771 /nfs/dbraw/zinc/50/37/71/385503771.db2.gz ARQRBRUTPUNHNE-JTQLQIEISA-N 1 0 238.291 0.478 10 0 BCAERO Cc1conc1C(=O)N1CCC[C@H]1C[NH3+] ZINC000257708335 385490150 /nfs/dbraw/zinc/49/01/50/385490150.db2.gz PYDRJUUNDJXRRI-QMMMGPOBSA-N 1 0 209.249 0.546 10 0 BCAERO C[C@H]1[C@H]([NH3+])CCN1C(=O)CCn1cccn1 ZINC000309329805 385534771 /nfs/dbraw/zinc/53/47/71/385534771.db2.gz SDGKCFRDJLYVLD-VHSXEESVSA-N 1 0 222.292 0.221 10 0 BCAERO O[C@H]1C[NH2+]C[C@@H]1CNc1nccc2occc21 ZINC000643040049 385542274 /nfs/dbraw/zinc/54/22/74/385542274.db2.gz BDQOZDAMNYZFIL-SCZZXKLOSA-N 1 0 233.271 0.820 10 0 BCAERO O[C@@H]1C[NH2+]C[C@@H]1CNc1nccc2occc21 ZINC000643040048 385542890 /nfs/dbraw/zinc/54/28/90/385542890.db2.gz BDQOZDAMNYZFIL-PSASIEDQSA-N 1 0 233.271 0.820 10 0 BCAERO O=C1CC[NH2+]CCN1C[C@@H]1CCCCO1 ZINC000258204093 385549967 /nfs/dbraw/zinc/54/99/67/385549967.db2.gz PYFDPEOZPNGMJY-JTQLQIEISA-N 1 0 212.293 0.377 10 0 BCAERO O=S1(=O)CCC[C@H]([NH2+]C2CC(F)(F)C2)C1 ZINC000336731737 385560101 /nfs/dbraw/zinc/56/01/01/385560101.db2.gz LAKUXCFXAZETAJ-ZETCQYMHSA-N 1 0 239.287 0.951 10 0 BCAERO C[C@@H]1OCC[C@H]1[NH2+]C[C@H](O)CN(C)C1CC1 ZINC000309454707 385593936 /nfs/dbraw/zinc/59/39/36/385593936.db2.gz QQNUBSUUHICSOG-ZMLRMANQSA-N 1 0 228.336 0.209 10 0 BCAERO CO[C@@H]1[C@H](C)[C@@H]([NH2+][C@H](C)CC(N)=O)C1(C)C ZINC000309474553 385602337 /nfs/dbraw/zinc/60/23/37/385602337.db2.gz RMNALISPGVDCNO-YJFSRANCSA-N 1 0 228.336 0.899 10 0 BCAERO COC[C@@H](CC(C)C)[NH2+]CCn1cncn1 ZINC000309484742 385611532 /nfs/dbraw/zinc/61/15/32/385611532.db2.gz VBRQKWNXQKPLHX-LLVKDONJSA-N 1 0 226.324 0.929 10 0 BCAERO COC(=O)CCN1CCCC[C@H]1[C@H](C)[NH3+] ZINC000063196042 385612037 /nfs/dbraw/zinc/61/20/37/385612037.db2.gz KLCXGOYCBMFACY-UWVGGRQHSA-N 1 0 214.309 0.751 10 0 BCAERO CCOC(=O)[C@H]1C[N@@H+](C(C)C)CCN1 ZINC000259837488 385665582 /nfs/dbraw/zinc/66/55/82/385665582.db2.gz PEOOCLYMXMLNCT-SECBINFHSA-N 1 0 200.282 0.232 10 0 BCAERO Cn1ncc(N[C@@H]2CC[NH2+]C2)c(Cl)c1=O ZINC000167901729 385686201 /nfs/dbraw/zinc/68/62/01/385686201.db2.gz VEVITSUXBQZDFS-ZCFIWIBFSA-N 1 0 228.683 0.208 10 0 BCAERO Cc1ccn2c(CNC3=[NH+]CCN3)cnc2c1 ZINC000211784311 385693669 /nfs/dbraw/zinc/69/36/69/385693669.db2.gz CTCIBVMAJNRZRQ-UHFFFAOYSA-N 1 0 229.287 0.692 10 0 BCAERO CO[C@H]1C[NH2+][C@@H](C(=O)NCc2ccc(C)nc2)C1 ZINC000062055400 385762403 /nfs/dbraw/zinc/76/24/03/385762403.db2.gz AGWWVAHJGJYGHY-VXGBXAGGSA-N 1 0 249.314 0.383 10 0 BCAERO O=C1CC[NH2+]CCN1CC1CCOCC1 ZINC000258257546 385777158 /nfs/dbraw/zinc/77/71/58/385777158.db2.gz TYODTSVLKPKJDU-UHFFFAOYSA-N 1 0 212.293 0.235 10 0 BCAERO C[C@H]1C[C@H]([NH3+])CN1C(=O)CC(F)(F)F ZINC000307374362 385722731 /nfs/dbraw/zinc/72/27/31/385722731.db2.gz XUQOTXUOPXZQOT-WDSKDSINSA-N 1 0 210.199 0.887 10 0 BCAERO C[C@H]1C[C@@H]([NH3+])CN1C(=O)CC(F)(F)F ZINC000307374359 385723037 /nfs/dbraw/zinc/72/30/37/385723037.db2.gz XUQOTXUOPXZQOT-NTSWFWBYSA-N 1 0 210.199 0.887 10 0 BCAERO CO[C@@]1(C[N@@H+]2CC[C@@H](CCO)C2)CCOC1 ZINC000638087495 385816635 /nfs/dbraw/zinc/81/66/35/385816635.db2.gz BOWBXCFCDZKZQT-NWDGAFQWSA-N 1 0 229.320 0.496 10 0 BCAERO CC1(NC(=O)[C@H]2C[NH2+]CCS2)CC1 ZINC000575535129 385903084 /nfs/dbraw/zinc/90/30/84/385903084.db2.gz VPTFGQUPMIVENP-SSDOTTSWSA-N 1 0 200.307 0.360 10 0 BCAERO COC[C@@H]1C[C@H](OC)C[N@@H+]1Cc1cncnc1 ZINC000284578607 385877598 /nfs/dbraw/zinc/87/75/98/385877598.db2.gz NUVMPGBHMBEDAA-RYUDHWBXSA-N 1 0 237.303 0.712 10 0 BCAERO CC(C)n1nnnc1CN1CC[C@H](C[NH3+])C1 ZINC000647830238 385878486 /nfs/dbraw/zinc/87/84/86/385878486.db2.gz BLOCOGLNPORLFC-SECBINFHSA-N 1 0 224.312 0.035 10 0 BCAERO C[C@H](NC(=O)[C@H]1C[C@@H]([NH3+])C1)[C@@H]1CCCO1 ZINC000647982031 385942728 /nfs/dbraw/zinc/94/27/28/385942728.db2.gz RUQHIBHQXDSLHS-QEYWKRMJSA-N 1 0 212.293 0.407 10 0 BCAERO COC(=O)[C@H]1CCC[N@H+](CC2(O)CCC2)C1 ZINC000342218968 385959695 /nfs/dbraw/zinc/95/96/95/385959695.db2.gz JLWCZRGLXUOFSG-JTQLQIEISA-N 1 0 227.304 0.786 10 0 BCAERO Cc1nc(C)c(C[N@@H+]2C[C@@H](O)C[C@@H]2CO)s1 ZINC000273471804 386003464 /nfs/dbraw/zinc/00/34/64/386003464.db2.gz JIRMJMKCNBLNOO-ZJUUUORDSA-N 1 0 242.344 0.687 10 0 BCAERO C[C@@H]1CN(C(=O)c2ccncc2F)C[C@@H]1C[NH3+] ZINC000638893663 386008610 /nfs/dbraw/zinc/00/86/10/386008610.db2.gz MGFURQAXYRNZLO-BDAKNGLRSA-N 1 0 237.278 0.888 10 0 BCAERO Cn1nnc(Br)c1C[C@@H]1CC[NH2+]C1 ZINC000307186881 386010855 /nfs/dbraw/zinc/01/08/55/386010855.db2.gz NPRDLGLVWYTXGR-LURJTMIESA-N 1 0 245.124 0.730 10 0 BCAERO Cn1ncc(C(=O)C2([NH3+])CCCCC2)n1 ZINC000307169184 386024812 /nfs/dbraw/zinc/02/48/12/386024812.db2.gz XEJFBNOUFZLAPK-UHFFFAOYSA-N 1 0 208.265 0.659 10 0 BCAERO COC(=O)[C@H](C)N1C[C@@H](C)[C@@H]([NH+](C)C)C1 ZINC000124404448 386045633 /nfs/dbraw/zinc/04/56/33/386045633.db2.gz ICUDTZPKIDJENO-UTLUCORTSA-N 1 0 214.309 0.430 10 0 BCAERO COC(=O)c1ccc(NC[C@H]([NH3+])C2CC2)nn1 ZINC000129312423 386053918 /nfs/dbraw/zinc/05/39/18/386053918.db2.gz XZJYUNYREATCIX-QMMMGPOBSA-N 1 0 236.275 0.412 10 0 BCAERO O=[S@@]([C@@H]1CCOC1)[C@@H]1CCC[NH2+]C1 ZINC000575575497 386174168 /nfs/dbraw/zinc/17/41/68/386174168.db2.gz HJDIEDSQPZMLAJ-JRKPZEMJSA-N 1 0 203.307 0.276 10 0 BCAERO C[C@H]([NH2+][C@@H]1CCC(=O)N[C@@H]1C)[C@@H]1CCOC1 ZINC000336738658 386181618 /nfs/dbraw/zinc/18/16/18/386181618.db2.gz KMFHIFMOCROOEP-LNFKQOIKSA-N 1 0 226.320 0.668 10 0 BCAERO C[C@@H]1C[C@@H]1[C@H]([NH3+])[C@@H]1CCS(=O)(=O)C1 ZINC000575580544 386231914 /nfs/dbraw/zinc/23/19/14/386231914.db2.gz DECQRIQBEMBYAC-LURQLKTLSA-N 1 0 203.307 0.404 10 0 BCAERO C[N@H+](C[C@H]1CCC[C@H]1O)CC1(O)CCC1 ZINC000336643015 386247969 /nfs/dbraw/zinc/24/79/69/386247969.db2.gz BIMVCHMXVMQWEY-GHMZBOCLSA-N 1 0 213.321 0.994 10 0 BCAERO C[N@H+](C[C@H](O)CN1C[C@@H]2CCC[C@@H]21)C1CC1 ZINC000336647917 386257255 /nfs/dbraw/zinc/25/72/55/386257255.db2.gz FXBNQJIZTMIAOK-DRZSPHRISA-N 1 0 224.348 0.926 10 0 BCAERO CC[C@](C)(O)C[NH2+][C@@H](COC)[C@H]1CCCO1 ZINC000336730635 386280701 /nfs/dbraw/zinc/28/07/01/386280701.db2.gz ILFPRCBHFIJNPN-TUAOUCFPSA-N 1 0 231.336 0.931 10 0 BCAERO O=C(NC[C@H]1C[NH2+]C[C@H]1O)NC1CCCCC1 ZINC000416437091 386315802 /nfs/dbraw/zinc/31/58/02/386315802.db2.gz KXRTZTWJZMFVBR-MWLCHTKSSA-N 1 0 241.335 0.199 10 0 BCAERO O=C(NCc1ccccc1)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000416439114 386317019 /nfs/dbraw/zinc/31/70/19/386317019.db2.gz PYUFEWHUYYZKET-RYUDHWBXSA-N 1 0 249.314 0.066 10 0 BCAERO C[C@@]1(C(=O)N[C@H]2CCCC[C@@H]2O)CCCC[NH2+]1 ZINC000133410211 386320547 /nfs/dbraw/zinc/32/05/47/386320547.db2.gz OSFWXVDCXIQGNC-GVXVVHGQSA-N 1 0 240.347 0.938 10 0 BCAERO Cc1cncc(C[N@@H+]2C[C@@H](O)C[C@@H]2CO)c1 ZINC000276022384 386262586 /nfs/dbraw/zinc/26/25/86/386262586.db2.gz KWFUAPHMHFLPOK-NEPJUHHUSA-N 1 0 222.288 0.318 10 0 BCAERO Cc1cnc(C[N@@H+]2CC[C@@H](CCO)C2)cn1 ZINC000336697128 386378391 /nfs/dbraw/zinc/37/83/91/386378391.db2.gz HTWDCBNETUGWAG-NSHDSACASA-N 1 0 221.304 0.989 10 0 BCAERO CC[C@@H](C)N(CCO)Cc1nnnn1C(C)C ZINC000336678126 386329974 /nfs/dbraw/zinc/32/99/74/386329974.db2.gz AHPQAEXQALILHN-SNVBAGLBSA-N 1 0 241.339 0.847 10 0 BCAERO CC(C)NC(=O)CC[N@@H+]1C[C@H](O)CC[C@@H]1C ZINC000399198372 386445529 /nfs/dbraw/zinc/44/55/29/386445529.db2.gz BNLLRMVOTHVFIJ-WDEREUQCSA-N 1 0 228.336 0.746 10 0 BCAERO CCC[C@H]([NH3+])C(=O)NCC(=O)N1CCCCC1 ZINC000134451340 386431626 /nfs/dbraw/zinc/43/16/26/386431626.db2.gz JVEGPSOAFFSUQE-JTQLQIEISA-N 1 0 241.335 0.243 10 0 BCAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NCc1ccnn1C ZINC000094648395 386466381 /nfs/dbraw/zinc/46/63/81/386466381.db2.gz UYLNZYMEFKROBR-ONGXEEELSA-N 1 0 236.319 0.424 10 0 BCAERO CC[NH+](CC)[C@@H](C)CNC(=O)Cc1cc[nH]n1 ZINC000121173757 386467090 /nfs/dbraw/zinc/46/70/90/386467090.db2.gz NDJHFNUSQHJDQC-JTQLQIEISA-N 1 0 238.335 0.799 10 0 BCAERO C[C@H]1CC[C@H](O)C[N@@H+]1CC(=O)N(C)C1CC1 ZINC000399275844 386475439 /nfs/dbraw/zinc/47/54/39/386475439.db2.gz XYLNORWWNUQSIR-ONGXEEELSA-N 1 0 226.320 0.452 10 0 BCAERO C[C@H]1CC[C@@H](O)C[N@@H+]1CC(=O)N(C)C1CC1 ZINC000399275837 386475788 /nfs/dbraw/zinc/47/57/88/386475788.db2.gz XYLNORWWNUQSIR-GXSJLCMTSA-N 1 0 226.320 0.452 10 0 BCAERO COC[C@H](C[NH2+]Cc1cnn(C)c1C)OC ZINC000227707115 386505416 /nfs/dbraw/zinc/50/54/16/386505416.db2.gz ISKVXQQAXNRUPP-NSHDSACASA-N 1 0 227.308 0.480 10 0 BCAERO CC(C)[C@H]([NH3+])C(=O)N1CCn2ccnc2C1 ZINC000062254598 386508016 /nfs/dbraw/zinc/50/80/16/386508016.db2.gz KBBDHMGQHZSYMZ-JTQLQIEISA-N 1 0 222.292 0.209 10 0 BCAERO CC(C)[C@@H]([NH3+])C(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000094459743 386454818 /nfs/dbraw/zinc/45/48/18/386454818.db2.gz BNWBCLOOZVWAIW-IJLUTSLNSA-N 1 0 239.363 0.665 10 0 BCAERO C[C@@H]1CN(C)C[C@@H]1[NH2+][C@H]1CCC(=O)N[C@H]1C ZINC000336778273 386456873 /nfs/dbraw/zinc/45/68/73/386456873.db2.gz KXPIMMIZFXLRQV-RCWTZXSCSA-N 1 0 225.336 0.193 10 0 BCAERO C[C@H]1CC[C@@H](O)C[N@@H+]1CC(=O)NC(C)(C)C ZINC000399214138 386458587 /nfs/dbraw/zinc/45/85/87/386458587.db2.gz HHQQJNLMGATXHD-VHSXEESVSA-N 1 0 228.336 0.746 10 0 BCAERO CCS(=O)(=O)N1C[C@H](C)[C@H]([NH+](C)C)C1 ZINC000124013449 386592895 /nfs/dbraw/zinc/59/28/95/386592895.db2.gz KGCSOCQCOLQIHX-DTWKUNHWSA-N 1 0 220.338 0.218 10 0 BCAERO C[C@@H]1OCC[C@@H]1NC(=O)N1CCC[C@@H]([NH3+])C1 ZINC000417941510 386593718 /nfs/dbraw/zinc/59/37/18/386593718.db2.gz AODYMRPQBFEDRC-AEJSXWLSSA-N 1 0 227.308 0.297 10 0 BCAERO OCCCCC[N@@H+]1CCn2ccnc2C1 ZINC000061804161 386535706 /nfs/dbraw/zinc/53/57/06/386535706.db2.gz GDTLUASUZAOBNI-UHFFFAOYSA-N 1 0 209.293 0.861 10 0 BCAERO Cn1nccc1CN1C[C@@H](F)C[C@H]1C[NH3+] ZINC000238854644 386536553 /nfs/dbraw/zinc/53/65/53/386536553.db2.gz OQXFTTJBKWWGMA-WPRPVWTQSA-N 1 0 212.272 0.291 10 0 BCAERO C[C@H]1CC[C@@H](O)C[N@@H+]1CC(=O)N1CCCCC1 ZINC000399402555 386542734 /nfs/dbraw/zinc/54/27/34/386542734.db2.gz HGKCPPCOTINGLK-NWDGAFQWSA-N 1 0 240.347 0.844 10 0 BCAERO CCO[C@@H]1C[C@H]1C(=O)N[C@](C)(C[NH3+])C1CC1 ZINC000262631109 386542806 /nfs/dbraw/zinc/54/28/06/386542806.db2.gz NSVNPHRSMSBXII-CKYFFXLPSA-N 1 0 226.320 0.655 10 0 BCAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]C[C@H](O)C(F)(F)F ZINC000336780724 386557742 /nfs/dbraw/zinc/55/77/42/386557742.db2.gz RVMBMTNBRWZCQO-XVMARJQXSA-N 1 0 240.225 0.166 10 0 BCAERO Cc1oncc1C[NH2+][C@H]1CCC(=O)N[C@H]1C ZINC000336756226 386559972 /nfs/dbraw/zinc/55/99/72/386559972.db2.gz YJZDUBUZCRMPMT-XVKPBYJWSA-N 1 0 223.276 0.740 10 0 BCAERO CC[C@H]1COCCN1C(=O)[C@H]1CC[NH2+]C1 ZINC000062113044 386565426 /nfs/dbraw/zinc/56/54/26/386565426.db2.gz XSNKGEIPGBFAQX-UWVGGRQHSA-N 1 0 212.293 0.233 10 0 BCAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]CCOCC1CC1 ZINC000336780756 386569091 /nfs/dbraw/zinc/56/90/91/386569091.db2.gz RZNARFBYVZXLFV-ONGXEEELSA-N 1 0 226.320 0.670 10 0 BCAERO Cc1ccc(C(=O)N2CCO[C@@H]3C[NH2+]C[C@@H]32)cc1 ZINC000335497323 386621982 /nfs/dbraw/zinc/62/19/82/386621982.db2.gz VBPQSVRDBKDOAL-QWHCGFSZSA-N 1 0 246.310 0.808 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)NCc1ccc[nH]c1=O ZINC000638724763 386634609 /nfs/dbraw/zinc/63/46/09/386634609.db2.gz AZHAFIACJTZYFW-GXSJLCMTSA-N 1 0 249.314 0.778 10 0 BCAERO CCC[C@H]([NH3+])C(=O)NCCCO[C@@H]1CCOC1 ZINC000119609623 386635687 /nfs/dbraw/zinc/63/56/87/386635687.db2.gz XFYNZLZQUCPVHO-MNOVXSKESA-N 1 0 244.335 0.426 10 0 BCAERO O=C(NC[C@H]1C[NH2+]C[C@H]1O)C1CC2(CCC2)C1 ZINC000335470539 386687889 /nfs/dbraw/zinc/68/78/89/386687889.db2.gz QAJIKNRLDTYEEC-GHMZBOCLSA-N 1 0 238.331 0.263 10 0 BCAERO CC[C@@H](O)C[NH+]1CCN(Cc2cocn2)CC1 ZINC000191942046 386725301 /nfs/dbraw/zinc/72/53/01/386725301.db2.gz ZUESZHRRJJKSOX-GFCCVEGCSA-N 1 0 239.319 0.563 10 0 BCAERO C[NH2+][C@H]1CS(=O)(=O)C[C@H]1c1ccccc1 ZINC000004226956 386750213 /nfs/dbraw/zinc/75/02/13/386750213.db2.gz HZXZFHAKTGWFGM-QWRGUYRKSA-N 1 0 225.313 0.787 10 0 BCAERO C[NH2+][C@@H]1CS(=O)(=O)C[C@H]1c1ccccc1 ZINC000004226955 386750549 /nfs/dbraw/zinc/75/05/49/386750549.db2.gz HZXZFHAKTGWFGM-WDEREUQCSA-N 1 0 225.313 0.787 10 0 BCAERO C[NH2+][C@@H]1CS(=O)(=O)C[C@@H]1c1ccccc1 ZINC000004226953 386750816 /nfs/dbraw/zinc/75/08/16/386750816.db2.gz HZXZFHAKTGWFGM-GHMZBOCLSA-N 1 0 225.313 0.787 10 0 BCAERO C[C@@H]1O[C@H](O)C[C@H]([NH2+]Cc2ccccc2)[C@@H]1O ZINC000575448924 386753911 /nfs/dbraw/zinc/75/39/11/386753911.db2.gz ZJJLVLNCLOEXHA-XYJRDEOASA-N 1 0 237.299 0.633 10 0 BCAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)NC[C@H](C)O ZINC000192438424 386767664 /nfs/dbraw/zinc/76/76/64/386767664.db2.gz VNTCFWJVLRUJEC-WDEREUQCSA-N 1 0 245.367 0.643 10 0 BCAERO CCOC(=O)CC[N@@H+]1CCC[C@@H](O)[C@@H]1C ZINC000394973837 386771376 /nfs/dbraw/zinc/77/13/76/386771376.db2.gz KJNGOHQMZBGKTM-VHSXEESVSA-N 1 0 215.293 0.785 10 0 BCAERO CC[NH2+][C@H](C)C(=O)NC[C@@H]1CCC[C@H]1O ZINC000637963438 386789060 /nfs/dbraw/zinc/78/90/60/386789060.db2.gz CFAIDFGWISCPAP-KXUCPTDWSA-N 1 0 214.309 0.262 10 0 BCAERO CSC[C@@H](O)CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000249121955 386820316 /nfs/dbraw/zinc/82/03/16/386820316.db2.gz ALUNYPKOGAOIEU-QWRGUYRKSA-N 1 0 230.377 0.490 10 0 BCAERO [NH3+][C@@H]1COC[C@H]1[C@@H](O)c1cncs1 ZINC000575452057 386804373 /nfs/dbraw/zinc/80/43/73/386804373.db2.gz BKCHHGFVCSWEOH-ATRFCDNQSA-N 1 0 200.263 0.150 10 0 BCAERO OCCCC[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000398738865 386979950 /nfs/dbraw/zinc/97/99/50/386979950.db2.gz FLTNFJBRXIIKII-SDDRHHMPSA-N 1 0 213.321 0.852 10 0 BCAERO CCOC(=O)C[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000398738165 386981177 /nfs/dbraw/zinc/98/11/77/386981177.db2.gz YBQHXRQOPMHAQC-GARJFASQSA-N 1 0 227.304 0.642 10 0 BCAERO CC(C)(C)OC(=O)C1([NH3+])CCOCC1 ZINC000149581620 386994483 /nfs/dbraw/zinc/99/44/83/386994483.db2.gz HOOONDHSNFGMTF-UHFFFAOYSA-N 1 0 201.266 0.836 10 0 BCAERO C[C@H]1C[C@@](N)(C(N)=O)C[N@@H+]1Cc1ccccc1 ZINC000307641607 387008635 /nfs/dbraw/zinc/00/86/35/387008635.db2.gz IQPXPIUIBQTJLA-GWCFXTLKSA-N 1 0 233.315 0.464 10 0 BCAERO CC(C)(O)C[N@@H+]1C[C@@H]2CC[C@H](O)C[C@@H]2C1 ZINC000398825607 387001225 /nfs/dbraw/zinc/00/12/25/387001225.db2.gz GIKAXVQDRQSAEG-AXFHLTTASA-N 1 0 213.321 0.850 10 0 BCAERO CCN1c2ccc([C@H](O)C[NH3+])cc2CCC1=O ZINC000575421680 387031609 /nfs/dbraw/zinc/03/16/09/387031609.db2.gz BPETXYVMIHLEEI-GFCCVEGCSA-N 1 0 234.299 0.978 10 0 BCAERO CC(C)(C)[C@H](O)CNC(=O)[C@@H]([NH3+])C1CCC1 ZINC000398980964 387032325 /nfs/dbraw/zinc/03/23/25/387032325.db2.gz GAHGRCQRNLIRMS-ZJUUUORDSA-N 1 0 228.336 0.637 10 0 BCAERO C[C@@]1(C(=O)NC2CSC2)CCC[NH2+]1 ZINC000575578315 387041003 /nfs/dbraw/zinc/04/10/03/387041003.db2.gz HOIQSPDVHXSKAT-VIFPVBQESA-N 1 0 200.307 0.360 10 0 BCAERO C[C@@H]1CC[NH2+][C@@H]1C(=O)NC1CSC1 ZINC000575578272 387044680 /nfs/dbraw/zinc/04/46/80/387044680.db2.gz HKINTZNCOBYRGW-SVRRBLITSA-N 1 0 200.307 0.216 10 0 BCAERO C[C@@H]1C[C@]1(C)[NH2+][C@H]1CCS(=O)(=O)C1 ZINC000575580185 387050707 /nfs/dbraw/zinc/05/07/07/387050707.db2.gz QPLXDITWAYEVMS-VGMNWLOBSA-N 1 0 203.307 0.562 10 0 BCAERO CC1CC(C(=O)N2CCN(C)C[C@@H]2C[NH3+])C1 ZINC000519152315 387023027 /nfs/dbraw/zinc/02/30/27/387023027.db2.gz ODTVJVXRVHEHOS-ILDUYXDCSA-N 1 0 225.336 0.134 10 0 BCAERO F[C@@H]1C[NH2+]CC[C@H]1N1CCSCC1 ZINC000575455904 387026788 /nfs/dbraw/zinc/02/67/88/387026788.db2.gz HQPAVRMXFPKSQW-RKDXNWHRSA-N 1 0 204.314 0.735 10 0 BCAERO COC(=O)c1ccc(N[C@H]2CCC[NH2+]C2)nn1 ZINC000071397649 387101690 /nfs/dbraw/zinc/10/16/90/387101690.db2.gz IAADVASJTXAKCZ-QMMMGPOBSA-N 1 0 236.275 0.427 10 0 BCAERO O[C@H](c1cnsc1)[C@H]1C[NH2+]CCO1 ZINC000575472488 387103605 /nfs/dbraw/zinc/10/36/05/387103605.db2.gz IOHOMPIIQYQEDD-HTQZYQBOSA-N 1 0 200.263 0.165 10 0 BCAERO O[C@H](c1cnsc1)[C@@H]1C[NH2+]CCO1 ZINC000575472489 387103689 /nfs/dbraw/zinc/10/36/89/387103689.db2.gz IOHOMPIIQYQEDD-JGVFFNPUSA-N 1 0 200.263 0.165 10 0 BCAERO CS(C)(=O)=NC(=O)C1=CC[C@H]([NH3+])C1 ZINC000575470918 387105722 /nfs/dbraw/zinc/10/57/22/387105722.db2.gz MYMOMEVOXYKHJU-ZETCQYMHSA-N 1 0 202.279 0.288 10 0 BCAERO COc1cc([C@H]2[NH2+]CC[C@H]2O)ccc1O ZINC000107208075 387153160 /nfs/dbraw/zinc/15/31/60/387153160.db2.gz AZOWGSRWOSHKRG-MWLCHTKSSA-N 1 0 209.245 0.796 10 0 BCAERO CC[C@](C)(O)C[N@@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000229395825 387168691 /nfs/dbraw/zinc/16/86/91/387168691.db2.gz CBQBGUPUSMFNIU-JQWIXIFHSA-N 1 0 226.320 0.454 10 0 BCAERO C[C@H]1CN(C(N)=S)CC[C@@H]1[NH+](C)C ZINC000575479174 387175356 /nfs/dbraw/zinc/17/53/56/387175356.db2.gz FQCOWMBAQCJUQW-YUMQZZPRSA-N 1 0 201.339 0.502 10 0 BCAERO CC(C)(C)NC(=O)N1CC[C@@H]2C[NH2+]C[C@H]21 ZINC000077439451 387188766 /nfs/dbraw/zinc/18/87/66/387188766.db2.gz RUVCJMYPWLYFDY-RKDXNWHRSA-N 1 0 211.309 0.788 10 0 BCAERO CO[C@H](C[NH2+][C@H]1CCC(=O)N[C@H]1C)C1CC1 ZINC000400272413 387140633 /nfs/dbraw/zinc/14/06/33/387140633.db2.gz NDTUGYMKBXGICO-INTQDDNPSA-N 1 0 226.320 0.668 10 0 BCAERO CCC(CC)[C@H](O)CNC(=O)[C@H]1C[NH2+]C[C@H]1C ZINC000300409139 387205437 /nfs/dbraw/zinc/20/54/37/387205437.db2.gz LQVITWFVSVOFKV-ADEWGFFLSA-N 1 0 242.363 0.755 10 0 BCAERO CCC[C@@H](C(=O)NCC(=O)OCC)[NH+](C)C ZINC000161662099 387252863 /nfs/dbraw/zinc/25/28/63/387252863.db2.gz KEEIOOVJNXGPEW-VIFPVBQESA-N 1 0 230.308 0.396 10 0 BCAERO [NH2+]=C(C1CC1)N1CCC[S@@](=O)CC1 ZINC000306492993 387217008 /nfs/dbraw/zinc/21/70/08/387217008.db2.gz YIAXPALVJHIFHE-CYBMUJFWSA-N 1 0 200.307 0.828 10 0 BCAERO CC(C)(O)C(=O)N1CCN2CCCC[C@@H]2C1 ZINC000230105965 387252138 /nfs/dbraw/zinc/25/21/38/387252138.db2.gz VLUGMWIICKSIKU-SNVBAGLBSA-N 1 0 226.320 0.454 10 0 BCAERO CCCOCC(=O)N1C[C@@H](C)[C@H]([NH+](C)C)C1 ZINC000229729865 387195736 /nfs/dbraw/zinc/19/57/36/387195736.db2.gz PIJRLXPMHKJIHY-GHMZBOCLSA-N 1 0 228.336 0.822 10 0 BCAERO CCn1ccnc1C[NH2+][C@@H]1CCC(=O)N[C@H]1C ZINC000393062507 387314927 /nfs/dbraw/zinc/31/49/27/387314927.db2.gz VIVVMBREOHNFJL-VHSXEESVSA-N 1 0 236.319 0.660 10 0 BCAERO CC(C)=C[C@@H]([NH3+])[C@H]1CCCS1(=O)=O ZINC000575492748 387269237 /nfs/dbraw/zinc/26/92/37/387269237.db2.gz KVNMYWZBBPRSCG-RKDXNWHRSA-N 1 0 203.307 0.857 10 0 BCAERO C[C@H](O)[C@]1([NH3+])CCN(Cc2ccccc2)C1 ZINC000575493281 387269897 /nfs/dbraw/zinc/26/98/97/387269897.db2.gz IGQFEZOLASQSLK-AAEUAGOBSA-N 1 0 220.316 0.971 10 0 BCAERO CC(=[NH2+])NC[C@H]1CCCCS1(=O)=O ZINC000575492844 387270052 /nfs/dbraw/zinc/27/00/52/387270052.db2.gz MEQUJMXKHZNUFA-MRVPVSSYSA-N 1 0 204.295 0.540 10 0 BCAERO C[NH2+][C@H](C)C(=O)N(C[C@H](C)OC)C(C)C ZINC000514873648 387300997 /nfs/dbraw/zinc/30/09/97/387300997.db2.gz UNKMYSQYKZOUMT-VHSXEESVSA-N 1 0 216.325 0.866 10 0 BCAERO CC(C)NC(=O)CC[NH2+][C@@H]1CCC(=O)N[C@H]1C ZINC000392920001 387303801 /nfs/dbraw/zinc/30/38/01/387303801.db2.gz JEQKTNUTOHLOJB-VHSXEESVSA-N 1 0 241.335 0.158 10 0 BCAERO CCn1nccc1C[NH2+][C@H]1CCC(=O)N[C@@H]1C ZINC000392963220 387305339 /nfs/dbraw/zinc/30/53/39/387305339.db2.gz PZEIMBLOXBACKQ-KOLCDFICSA-N 1 0 236.319 0.660 10 0 BCAERO COc1ncc([C@@H]2C[C@@H]([NH3+])CO2)s1 ZINC000575508125 387371422 /nfs/dbraw/zinc/37/14/22/387371422.db2.gz KINWELODXLONRD-RITPCOANSA-N 1 0 200.263 0.940 10 0 BCAERO Cn1c(Cl)ncc1[C@H](O)C1C[NH2+]C1 ZINC000575506162 387372659 /nfs/dbraw/zinc/37/26/59/387372659.db2.gz XIUMSARENOWEPN-SSDOTTSWSA-N 1 0 201.657 0.326 10 0 BCAERO C[C@H]([NH3+])C(=O)N[C@H]1CCCSCC1 ZINC000575517229 387428514 /nfs/dbraw/zinc/42/85/14/387428514.db2.gz CQKCIKRADOFDQU-YUMQZZPRSA-N 1 0 202.323 0.736 10 0 BCAERO O=C(C[NH2+]C1CC1)N1CCN2CCCC[C@H]2C1 ZINC000037812755 387442269 /nfs/dbraw/zinc/44/22/69/387442269.db2.gz WMMKQEMLWCCZFN-LBPRGKRZSA-N 1 0 237.347 0.435 10 0 BCAERO C[C@@H]([NH2+]C[C@@H](O)C(C)(C)C)c1nncn1C ZINC000304249604 387449482 /nfs/dbraw/zinc/44/94/82/387449482.db2.gz QOVCREBLGHGNGZ-RKDXNWHRSA-N 1 0 226.324 0.873 10 0 BCAERO O=[S@]1CC[NH2+][C@@H]2CCC(F)(F)C[C@H]21 ZINC000575520850 387449583 /nfs/dbraw/zinc/44/95/83/387449583.db2.gz SYHXNGIPGSUXDL-FWXDICJISA-N 1 0 209.261 0.895 10 0 BCAERO [NH3+]C1CC(Cn2nncc2Br)C1 ZINC000575512407 387385209 /nfs/dbraw/zinc/38/52/09/387385209.db2.gz NBJMZZYLXQGOHV-UHFFFAOYSA-N 1 0 231.097 0.778 10 0 BCAERO C[N@H+](CCN1CCOCC1)[C@@H]1CCC[C@@H]1O ZINC000352657568 387421427 /nfs/dbraw/zinc/42/14/27/387421427.db2.gz GQWZNMAOSRLEFB-NEPJUHHUSA-N 1 0 228.336 0.164 10 0 BCAERO O=S1(=O)CCC(=C2CC[NH2+]C2)CC1 ZINC000575516730 387422375 /nfs/dbraw/zinc/42/23/75/387422375.db2.gz ADEPPAPPYQUCPF-UHFFFAOYSA-N 1 0 201.291 0.485 10 0 BCAERO Cc1cc(CNC(=O)[C@H]2CCC[C@H]([NH3+])C2)[nH]n1 ZINC000648079658 387509052 /nfs/dbraw/zinc/50/90/52/387509052.db2.gz IZESFKHJPISMEU-UWVGGRQHSA-N 1 0 236.319 0.852 10 0 BCAERO COc1cccc(C[NH2+][C@H]2CCOC[C@@H]2O)c1 ZINC000623765281 387543856 /nfs/dbraw/zinc/54/38/56/387543856.db2.gz QBFJHXZXCGQCBS-STQMWFEESA-N 1 0 237.299 0.935 10 0 BCAERO C[C@H]1CC[C@H](O)C[N@@H+]1CC(=O)NC1CCCC1 ZINC000399498799 387526481 /nfs/dbraw/zinc/52/64/81/387526481.db2.gz WBBKLEQEKRFWJU-JQWIXIFHSA-N 1 0 240.347 0.890 10 0 BCAERO Cn1ncc(N2CC[C@H]2C[NH3+])c1Cl ZINC000575528661 387540755 /nfs/dbraw/zinc/54/07/55/387540755.db2.gz UDFBJJSXGSEYBP-LURJTMIESA-N 1 0 200.673 0.611 10 0 BCAERO COC[C@@H]([NH2+]C[C@@H](C)N1CCOCC1)C1CC1 ZINC000123570426 387585442 /nfs/dbraw/zinc/58/54/42/387585442.db2.gz PBQWNJAZEKOASC-DGCLKSJQSA-N 1 0 242.363 0.722 10 0 BCAERO O[C@H]1COCC[C@@H]1[NH2+]Cc1ccncc1 ZINC000623765934 387592727 /nfs/dbraw/zinc/59/27/27/387592727.db2.gz ZJWVLOHOJBMALL-QWRGUYRKSA-N 1 0 208.261 0.321 10 0 BCAERO C[NH+](C)C[C@@H]1CN(CCC2OCCO2)CCO1 ZINC000124211649 387608462 /nfs/dbraw/zinc/60/84/62/387608462.db2.gz SERJVHUTPSBWOD-LLVKDONJSA-N 1 0 244.335 0.012 10 0 BCAERO Cn1ncc(Cl)c1[C@H]1COC[C@H]1[NH3+] ZINC000575531354 387547249 /nfs/dbraw/zinc/54/72/49/387547249.db2.gz PKNUXUCMWCDKAT-CAHLUQPWSA-N 1 0 201.657 0.515 10 0 BCAERO CCN(CC)C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000116900796 387549675 /nfs/dbraw/zinc/54/96/75/387549675.db2.gz FVZAPZDFPYYQRC-NSHDSACASA-N 1 0 243.351 0.711 10 0 BCAERO CC(C)[C@H](C(=O)N[C@@H]1CCO[C@H]1C)[C@@H](C)[NH3+] ZINC000399535457 387552444 /nfs/dbraw/zinc/55/24/44/387552444.db2.gz UKLGCOAIVDMJHS-YTWAJWBKSA-N 1 0 228.336 0.899 10 0 BCAERO CC[C@@H](C)[N@H+](C)C[C@@H](O)CN1CCCC1=O ZINC000305197894 387576232 /nfs/dbraw/zinc/57/62/32/387576232.db2.gz DYTLDUVIZMLJBK-GHMZBOCLSA-N 1 0 228.336 0.700 10 0 BCAERO C[C@@H](NC(=O)[C@@H]1CCCO1)[C@@H]1CCC[NH2+]C1 ZINC000035689389 387579138 /nfs/dbraw/zinc/57/91/38/387579138.db2.gz QSJIJVVPIPHYTP-MXWKQRLJSA-N 1 0 226.320 0.670 10 0 BCAERO C[C@@H]1C[C@@]1(C[NH3+])[C@@H]1CCS(=O)(=O)C1 ZINC000575550330 387644205 /nfs/dbraw/zinc/64/42/05/387644205.db2.gz SMGZTXFBKCCVNZ-HLTSFMKQSA-N 1 0 203.307 0.406 10 0 BCAERO CO[C@@H]1CCCC[C@@]12C[NH2+]C[C@H]2C(N)=O ZINC000300214614 387651747 /nfs/dbraw/zinc/65/17/47/387651747.db2.gz SRFXGBQXHJNKFL-NGZCFLSTSA-N 1 0 212.293 0.267 10 0 BCAERO CC[S@](=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000575555650 387693054 /nfs/dbraw/zinc/69/30/54/387693054.db2.gz AHKQAKDSOAXHOZ-RWEMILLDSA-N 1 0 202.323 0.211 10 0 BCAERO C/C(=C/C1CCS(=O)(=O)CC1)C[NH3+] ZINC000575574141 387752189 /nfs/dbraw/zinc/75/21/89/387752189.db2.gz JJRBXJAAVDMSIS-VURMDHGXSA-N 1 0 203.307 0.716 10 0 BCAERO COC[C@@H]([NH2+]C[C@H](C)N1CCOCC1)C(C)C ZINC000123465992 387699473 /nfs/dbraw/zinc/69/94/73/387699473.db2.gz CCHGHPFNEWFHDJ-QWHCGFSZSA-N 1 0 244.379 0.968 10 0 BCAERO COC[C@H](O)C[NH+]1[C@H](C)COC[C@H]1C ZINC000127045794 387702796 /nfs/dbraw/zinc/70/27/96/387702796.db2.gz HCMCQSVZYLTOKE-OPRDCNLKSA-N 1 0 203.282 0.103 10 0 BCAERO CC(C)[C@@]1([NH3+])CCC[C@@H]1S(C)(=O)=O ZINC000575561844 387705809 /nfs/dbraw/zinc/70/58/09/387705809.db2.gz UWRAMJIQTQRHSX-IUCAKERBSA-N 1 0 205.323 0.937 10 0 BCAERO CC[C@H](O)CC[NH2+]Cc1c(C)nn(C)c1OC ZINC000127364900 387713142 /nfs/dbraw/zinc/71/31/42/387713142.db2.gz SEDDPRBGMLWLMJ-JTQLQIEISA-N 1 0 241.335 0.988 10 0 BCAERO C[C@H]1NC(=O)CC[C@H]1[NH2+]CCN1CCCCC1 ZINC000440943770 387713489 /nfs/dbraw/zinc/71/34/89/387713489.db2.gz RKKVZEYNWXPIIG-VXGBXAGGSA-N 1 0 239.363 0.729 10 0 BCAERO Cc1cc(C)n(CCCN[C@@H]2CC[NH2+]C2)n1 ZINC000127605457 387717853 /nfs/dbraw/zinc/71/78/53/387717853.db2.gz BSFBDHQQFNTXGZ-GFCCVEGCSA-N 1 0 222.336 0.842 10 0 BCAERO Cc1cc(C)n(CCCN[C@H]2CC[NH2+]C2)n1 ZINC000127605654 387718672 /nfs/dbraw/zinc/71/86/72/387718672.db2.gz BSFBDHQQFNTXGZ-LBPRGKRZSA-N 1 0 222.336 0.842 10 0 BCAERO CS[C@@H]1CC[C@@H]1N1C[C@@H]([NH3+])CC1=O ZINC000575565142 387725570 /nfs/dbraw/zinc/72/55/70/387725570.db2.gz DPMRLSXUDSXZGB-BIIVOSGPSA-N 1 0 200.307 0.440 10 0 BCAERO COc1ncc([C@@]2([NH3+])CCOC2)s1 ZINC000575568794 387731535 /nfs/dbraw/zinc/73/15/35/387731535.db2.gz OHJZDJBFLTUEIR-MRVPVSSYSA-N 1 0 200.263 0.726 10 0 BCAERO OC[C@H]1C[C@H](O)C[N@@H+]1CCC1CCOCC1 ZINC000432774525 387814419 /nfs/dbraw/zinc/81/44/19/387814419.db2.gz PUMLABPCEBZXJN-NEPJUHHUSA-N 1 0 229.320 0.231 10 0 BCAERO O=C(C1CC[NH2+]CC1)N1CCC[C@H](CO)C1 ZINC000036227386 387885041 /nfs/dbraw/zinc/88/50/41/387885041.db2.gz ABYCFZRMCNRKTQ-JTQLQIEISA-N 1 0 226.320 0.217 10 0 BCAERO C[C@@H]1C[C@@H]1C(=O)NC[C@@H]1CN(C)CCO1 ZINC000194632075 387887278 /nfs/dbraw/zinc/88/72/78/387887278.db2.gz WFVYBYULDMULME-BBBLOLIVSA-N 1 0 212.293 0.089 10 0 BCAERO CC[C@@](C)(O)C[N@H+](C)CCCC(=O)NC ZINC000162047188 387912767 /nfs/dbraw/zinc/91/27/67/387912767.db2.gz UMRLRSQRRTZXBR-LLVKDONJSA-N 1 0 216.325 0.605 10 0 BCAERO C[C@H](NC(=O)[C@@H]1CCCC[NH2+]1)[C@@H]1CCCO1 ZINC000035734992 387936102 /nfs/dbraw/zinc/93/61/02/387936102.db2.gz YMRLWWAYHHKLHN-DCAQKATOSA-N 1 0 226.320 0.812 10 0 BCAERO C[C@H]([NH2+]C[C@H]1CN(C)CCO1)[C@H]1C[C@H]1C ZINC000321044804 387937673 /nfs/dbraw/zinc/93/76/73/387937673.db2.gz FVEHEPRYPARTAS-RHYQMDGZSA-N 1 0 212.337 0.951 10 0 BCAERO CC[C@@H](C(N)=O)N(C)C[C@H]1CCC[N@@H+]1CC ZINC000245432208 387946030 /nfs/dbraw/zinc/94/60/30/387946030.db2.gz OMDCATVHDHKBGD-MNOVXSKESA-N 1 0 227.352 0.666 10 0 BCAERO CC[C@@](C)(C[NH2+]C[C@H]1CN(C)CCO1)OC ZINC000322685452 387968691 /nfs/dbraw/zinc/96/86/91/387968691.db2.gz JGQDRSZSYVJEKG-RYUDHWBXSA-N 1 0 230.352 0.722 10 0 BCAERO Cc1cc(C(=O)N[C@H]2CCCC[C@H]2[NH3+])on1 ZINC000038048627 177813034 /nfs/dbraw/zinc/81/30/34/177813034.db2.gz VUROBXFZZCZYAU-BDAKNGLRSA-N 1 0 223.276 0.983 10 0 BCAERO CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H]2CCOC2)C1 ZINC000159336952 388008492 /nfs/dbraw/zinc/00/84/92/388008492.db2.gz HJKFBXJNAVOTQA-WDEREUQCSA-N 1 0 241.335 0.559 10 0 BCAERO CCOC(=O)CCCNC(=O)[C@H]1C[NH2+]C[C@H]1C ZINC000081524634 388009892 /nfs/dbraw/zinc/00/98/92/388009892.db2.gz JQNBMAYYDUPFFE-ZJUUUORDSA-N 1 0 242.319 0.301 10 0 BCAERO O=C(CN1CC[N@@H+]2CCCC[C@@H]2C1)NC1CC1 ZINC000246184719 388018323 /nfs/dbraw/zinc/01/83/23/388018323.db2.gz LHPWFIIRJISNJN-GFCCVEGCSA-N 1 0 237.347 0.435 10 0 BCAERO CCCNC(=O)CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000246307512 388030531 /nfs/dbraw/zinc/03/05/31/388030531.db2.gz AFJXUGVEWHHPKC-NSHDSACASA-N 1 0 225.336 0.293 10 0 BCAERO CCOC[C@H](O)CN1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000083552907 388055236 /nfs/dbraw/zinc/05/52/36/388055236.db2.gz WNFRUTIRFGRCKB-RWMBFGLXSA-N 1 0 242.363 0.552 10 0 BCAERO Cc1noc(CCNC(=O)[C@H]2CCC[NH2+]C2)n1 ZINC000083928318 388067051 /nfs/dbraw/zinc/06/70/51/388067051.db2.gz JKSIPHGPLCJNHA-VIFPVBQESA-N 1 0 238.291 0.036 10 0 BCAERO CCc1nnc(CN2CC[NH+](CC)CC2)n1C ZINC000195007053 388082043 /nfs/dbraw/zinc/08/20/43/388082043.db2.gz TVBYDGSIIWHGLX-UHFFFAOYSA-N 1 0 237.351 0.515 10 0 BCAERO COc1cc(NC[C@H]2CCC[NH2+]C2)ncn1 ZINC000085481266 388089697 /nfs/dbraw/zinc/08/96/97/388089697.db2.gz WELXEAJAKBTJTN-VIFPVBQESA-N 1 0 222.292 0.897 10 0 BCAERO C[NH2+]CCN(C)c1cc(OC(C)C)ncn1 ZINC000085483430 388089735 /nfs/dbraw/zinc/08/97/35/388089735.db2.gz TVXLTVILFMFICG-UHFFFAOYSA-N 1 0 224.308 0.919 10 0 BCAERO C[C@@H](C[NH3+])CNc1nnnn1-c1ccccc1 ZINC000086634421 388105712 /nfs/dbraw/zinc/10/57/12/388105712.db2.gz PHHCVWHKPRMHBF-VIFPVBQESA-N 1 0 232.291 0.669 10 0 BCAERO Cc1c(C[NH2+]CC[C@@H](C)[S@@](C)=O)cnn1C ZINC000160168956 388049409 /nfs/dbraw/zinc/04/94/09/388049409.db2.gz YUROUZLNAAKFAB-ABKXIKBNSA-N 1 0 243.376 0.975 10 0 BCAERO Cc1c(C[NH2+]CC[C@H](C)[S@](C)=O)cnn1C ZINC000160168829 388050490 /nfs/dbraw/zinc/05/04/90/388050490.db2.gz YUROUZLNAAKFAB-XXFAHNHDSA-N 1 0 243.376 0.975 10 0 BCAERO CC(C)(C)[C@H](O)CNC(=O)[C@@H]1[NH2+]CC1(C)C ZINC000646239803 388169521 /nfs/dbraw/zinc/16/95/21/388169521.db2.gz WIPUGJBXVQANGH-BDAKNGLRSA-N 1 0 228.336 0.508 10 0 BCAERO COCC(=O)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261528367 135153581 /nfs/dbraw/zinc/15/35/81/135153581.db2.gz KWXZVBSMDHEWSH-QMMMGPOBSA-N 1 0 200.282 0.219 10 0 BCAERO CCNC(=O)[C@]1(CCOC)CC[NH2+]C1 ZINC000261528282 135153751 /nfs/dbraw/zinc/15/37/51/135153751.db2.gz LTCDPBGQRQOHOJ-JTQLQIEISA-N 1 0 200.282 0.139 10 0 BCAERO COc1cc(N)ccc1NC1=[NH+]CCN1 ZINC000521400821 256516873 /nfs/dbraw/zinc/51/68/73/256516873.db2.gz DRISIPZUFYNKRX-UHFFFAOYSA-N 1 0 206.249 0.649 10 0 BCAERO COCC[C@@H](C)[NH2+]CCc1nc(C)no1 ZINC000089517703 256526317 /nfs/dbraw/zinc/52/63/17/256526317.db2.gz VDMUPFWWIRRXKH-MRVPVSSYSA-N 1 0 213.281 0.935 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)N2CC[NH2+]C[C@@H]2C)O1 ZINC000088142090 256546533 /nfs/dbraw/zinc/54/65/33/256546533.db2.gz AHHZLCBOOJIQTM-IVZWLZJFSA-N 1 0 212.293 0.374 10 0 BCAERO CCO[C@@H](C)C(=O)NC[C@@H]1CC[NH2+]C1 ZINC000261528703 135154160 /nfs/dbraw/zinc/15/41/60/135154160.db2.gz UEMTVZWDQQUWCM-DTWKUNHWSA-N 1 0 200.282 0.137 10 0 BCAERO COc1cccnc1N1C[C@H](C)[C@H]([NH3+])C1 ZINC000300047137 388346196 /nfs/dbraw/zinc/34/61/96/388346196.db2.gz CVABCAYQRPWNDC-DTWKUNHWSA-N 1 0 207.277 0.874 10 0 BCAERO C[C@@H]1CN(C(=O)[C@@H]2[C@H](C)O[C@H](C)[C@H]2C)C[C@@H]1[NH3+] ZINC000300047568 388346357 /nfs/dbraw/zinc/34/63/57/388346357.db2.gz DZIWVWGHGOEIBJ-UCFKJQRDSA-N 1 0 240.347 0.852 10 0 BCAERO C[NH2+][C@H](C)CNC(=O)[C@H]1[C@@H](C)[C@H](C)O[C@H]1C ZINC000300040913 388346513 /nfs/dbraw/zinc/34/65/13/388346513.db2.gz KAEBXSJLJRKAKU-NMUGVGKYSA-N 1 0 228.336 0.770 10 0 BCAERO CC[C@@H](COC)NC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000233875956 388349294 /nfs/dbraw/zinc/34/92/94/388349294.db2.gz FZQTZYTWYHUUCO-KXUCPTDWSA-N 1 0 214.309 0.383 10 0 BCAERO C[NH2+][C@@H]1C[C@H](CO)N(C(=O)OC(C)(C)C)C1 ZINC000067173283 388404741 /nfs/dbraw/zinc/40/47/41/388404741.db2.gz SQFNRLAFLMKLJX-RKDXNWHRSA-N 1 0 230.308 0.576 10 0 BCAERO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H]1CCC[C@@H](O)C1 ZINC000646417991 388353907 /nfs/dbraw/zinc/35/39/07/388353907.db2.gz SFNXOWAMZCVLNE-USZNOCQGSA-N 1 0 240.347 0.794 10 0 BCAERO C[C@@H]1CC[C@H](C[NH3+])N([S@](C)=O)[C@@H]1C ZINC000575519220 388356441 /nfs/dbraw/zinc/35/64/41/388356441.db2.gz HSTKCMJKNMGULY-LHGDZMGGSA-N 1 0 204.339 0.728 10 0 BCAERO Cn1ncc(NC2CC([NH3+])C2)c1Cl ZINC000575520766 388356741 /nfs/dbraw/zinc/35/67/41/388356741.db2.gz GKCSBXFTYJKWOO-UHFFFAOYSA-N 1 0 200.673 0.975 10 0 BCAERO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCNC2=O)CS1 ZINC000575524403 388358730 /nfs/dbraw/zinc/35/87/30/388358730.db2.gz JLQJQEXQVSOSAH-BWZBUEFSSA-N 1 0 200.307 0.359 10 0 BCAERO CO[C@H]1CCN(C(=O)[C@]2(C)CCC[NH2+]2)C1 ZINC000234806716 388361359 /nfs/dbraw/zinc/36/13/59/388361359.db2.gz MAIRSWGNBPXPPQ-ONGXEEELSA-N 1 0 212.293 0.376 10 0 BCAERO Cc1cn[nH]c1C[NH2+][C@@H]1CCC(=O)N[C@@H]1C ZINC000290020603 388365115 /nfs/dbraw/zinc/36/51/15/388365115.db2.gz ZLOMPSVAQSSJBG-RKDXNWHRSA-N 1 0 222.292 0.475 10 0 BCAERO Cc1cn[nH]c1C[NH2+][C@@H]1CCC(=O)N[C@H]1C ZINC000290020597 388365796 /nfs/dbraw/zinc/36/57/96/388365796.db2.gz ZLOMPSVAQSSJBG-DTWKUNHWSA-N 1 0 222.292 0.475 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N(C)[C@H]1CCOC1 ZINC000235279647 388366691 /nfs/dbraw/zinc/36/66/91/388366691.db2.gz KJVWUSCTYXPLAZ-KXUCPTDWSA-N 1 0 212.293 0.089 10 0 BCAERO C[C@H](NC(=O)[C@@H]1C[NH2+]C[C@H]1C)C1CCOCC1 ZINC000235294021 388367732 /nfs/dbraw/zinc/36/77/32/388367732.db2.gz DRGYKFUKADQUDD-JFGNBEQYSA-N 1 0 240.347 0.773 10 0 BCAERO CCn1nccc1C[NH2+]CC1CC(O)C1 ZINC000164850527 388386981 /nfs/dbraw/zinc/38/69/81/388386981.db2.gz GETVCVYICUMLJK-UHFFFAOYSA-N 1 0 209.293 0.764 10 0 BCAERO C[C@@H](C[NH3+])N1CCCC2(C1)OCCO2 ZINC000133723477 388389418 /nfs/dbraw/zinc/38/94/18/388389418.db2.gz LOLDGCSOECZSBR-VIFPVBQESA-N 1 0 200.282 0.173 10 0 BCAERO COCc1csc(NC(=O)[C@@H]2CCC[NH2+]2)n1 ZINC000237233223 388391598 /nfs/dbraw/zinc/39/15/98/388391598.db2.gz IJNYKBVHSFPDJK-QMMMGPOBSA-N 1 0 241.316 0.980 10 0 BCAERO CSC[C@@H](C)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000237354384 388393469 /nfs/dbraw/zinc/39/34/69/388393469.db2.gz HLOANOWLBILFSD-RKDXNWHRSA-N 1 0 216.350 0.935 10 0 BCAERO CS[C@@H](C)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000237403129 388393890 /nfs/dbraw/zinc/39/38/90/388393890.db2.gz ROTNIKYSRZQSJV-JGVFFNPUSA-N 1 0 202.323 0.688 10 0 BCAERO CO[C@H]1C[C@@H](CO)[N@H+](CCC(C)(C)O)C1 ZINC000393739885 388440241 /nfs/dbraw/zinc/44/02/41/388440241.db2.gz ICNJVMPYYYCUSY-UWVGGRQHSA-N 1 0 217.309 0.229 10 0 BCAERO CCN1CCC([NH2+][C@@H]2CCC(=O)N[C@H]2C)CC1 ZINC000334669906 388446011 /nfs/dbraw/zinc/44/60/11/388446011.db2.gz UMFPMCZFBAKEGD-CMPLNLGQSA-N 1 0 239.363 0.727 10 0 BCAERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)NCc1ccno1 ZINC000335593320 388451420 /nfs/dbraw/zinc/45/14/20/388451420.db2.gz BSUNMWYGSLNEBT-WCBMZHEXSA-N 1 0 223.276 0.679 10 0 BCAERO C[C@H](CO)S[C@H]1C[NH2+]CC[C@]1(C)O ZINC000300867897 388460031 /nfs/dbraw/zinc/46/00/31/388460031.db2.gz KEBKJPSKQHCHII-VGMNWLOBSA-N 1 0 205.323 0.213 10 0 BCAERO COC1(CC[N@@H+]2CCO[C@H](CO)C2)CCC1 ZINC000336658773 388460535 /nfs/dbraw/zinc/46/05/35/388460535.db2.gz OMXUUNOTMXLSCO-NSHDSACASA-N 1 0 229.320 0.639 10 0 BCAERO C[C@@H]([NH3+])C[C@@H](C)Nc1ncnc2nc[nH]c21 ZINC000165748789 388410440 /nfs/dbraw/zinc/41/04/40/388410440.db2.gz CQYWJQRYNNBUIR-RNFRBKRXSA-N 1 0 220.280 0.891 10 0 BCAERO C[C@@H]1[C@@H](O)CCC[N@@H+]1CCn1cccn1 ZINC000296165493 388417964 /nfs/dbraw/zinc/41/79/64/388417964.db2.gz KTNHBALQOCDYNC-MNOVXSKESA-N 1 0 209.293 0.728 10 0 BCAERO C[NH2+]C[C@H]1CCN(Cc2nnnn2C(C)C)C1 ZINC000573121503 388421732 /nfs/dbraw/zinc/42/17/32/388421732.db2.gz GEEIBIJYFDDXQP-SNVBAGLBSA-N 1 0 238.339 0.295 10 0 BCAERO CO[C@@H]1C[C@@H](CO)[N@H+](C[C@@H]2CCCO2)C1 ZINC000339183687 388480236 /nfs/dbraw/zinc/48/02/36/388480236.db2.gz QZARUOSHPIIMJO-GARJFASQSA-N 1 0 215.293 0.247 10 0 BCAERO COC[C@@]1(C(=O)Nc2cccnc2)CCC[NH2+]1 ZINC000649275582 388493909 /nfs/dbraw/zinc/49/39/09/388493909.db2.gz PQGWWWWKAZYDLM-GFCCVEGCSA-N 1 0 235.287 0.789 10 0 BCAERO CO[C@@H]1C[C@H](CO)[N@H+](Cc2ccc(C)nc2)C1 ZINC000344042399 388504778 /nfs/dbraw/zinc/50/47/78/388504778.db2.gz TWKXBSLLLRHSDY-CHWSQXEVSA-N 1 0 236.315 0.972 10 0 BCAERO CO[C@H]1C[C@H](CO)[N@H+](Cc2cncn2C)C1 ZINC000344153901 388506090 /nfs/dbraw/zinc/50/60/90/388506090.db2.gz VWPRHCYTDHKEJY-KOLCDFICSA-N 1 0 225.292 0.002 10 0 BCAERO CO[C@@H]1C[C@@H](CO)[N@H+](Cc2cccc(C)n2)C1 ZINC000344681020 388508957 /nfs/dbraw/zinc/50/89/57/388508957.db2.gz QUIYOWXIHSOVND-QWHCGFSZSA-N 1 0 236.315 0.972 10 0 BCAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]CCc1cnn(C)c1 ZINC000348347667 388527609 /nfs/dbraw/zinc/52/76/09/388527609.db2.gz KSAHYNXIGJXLKF-ONGXEEELSA-N 1 0 236.319 0.219 10 0 BCAERO C[NH2+][C@H]1CCN(Cc2nnnn2C(C)C)C1 ZINC000516182643 256766637 /nfs/dbraw/zinc/76/66/37/256766637.db2.gz FCHXMECWFBLCQR-VIFPVBQESA-N 1 0 224.312 0.048 10 0 BCAERO [NH3+]C[C@H]1CCN(CC(F)(F)F)C(=O)C1 ZINC000217539832 256841587 /nfs/dbraw/zinc/84/15/87/256841587.db2.gz SIXACDFNSFBNEK-LURJTMIESA-N 1 0 210.199 0.746 10 0 BCAERO C[C@H]([NH2+]C[C@H]1CN(C)CCO1)[C@@H]1CCCCO1 ZINC000379163932 388592997 /nfs/dbraw/zinc/59/29/97/388592997.db2.gz ICSCPEQOCRAGFY-AVGNSLFASA-N 1 0 242.363 0.864 10 0 BCAERO c1cnc2c(c1)nccc2NC[C@H]1COCC[NH2+]1 ZINC000379229510 388600227 /nfs/dbraw/zinc/60/02/27/388600227.db2.gz YRPLCAPZXWMVEK-JTQLQIEISA-N 1 0 244.298 0.452 10 0 BCAERO CCN(CC(=O)OC)C[C@@H]1CCC[NH2+]C1 ZINC000220370163 388603857 /nfs/dbraw/zinc/60/38/57/388603857.db2.gz WKOQJFNTIJWQDO-SNVBAGLBSA-N 1 0 214.309 0.481 10 0 BCAERO CCOC[C@@H]1C[N@H+](CC(C)(C)O)CCO1 ZINC000528724885 388562212 /nfs/dbraw/zinc/56/22/12/388562212.db2.gz ZALDNKOAAVFEFT-JTQLQIEISA-N 1 0 217.309 0.495 10 0 BCAERO CCCC[N@@H+]1CCC[C@@](O)(C(N)=O)C1 ZINC000367490670 388565281 /nfs/dbraw/zinc/56/52/81/388565281.db2.gz WISBYXZCNGYSKF-JTQLQIEISA-N 1 0 200.282 0.099 10 0 BCAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@H](C)OC ZINC000245435388 388579073 /nfs/dbraw/zinc/57/90/73/388579073.db2.gz SPZOGVBSFHNJGT-WDEREUQCSA-N 1 0 228.336 0.964 10 0 BCAERO CCn1cncc1C[NH2+]CC1CC(O)C1 ZINC000085184219 388665597 /nfs/dbraw/zinc/66/55/97/388665597.db2.gz ORDJFLLMIOGRSV-UHFFFAOYSA-N 1 0 209.293 0.764 10 0 BCAERO [NH3+]C[C@H]1CCCN(C(=O)c2cnccn2)C1 ZINC000044528332 388682701 /nfs/dbraw/zinc/68/27/01/388682701.db2.gz HNPBDCZZRWYLNU-SECBINFHSA-N 1 0 220.276 0.288 10 0 BCAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CN(C)C)C1 ZINC000246323017 388630112 /nfs/dbraw/zinc/63/01/12/388630112.db2.gz FSTISTNFMUFNCW-GHMZBOCLSA-N 1 0 227.352 0.393 10 0 BCAERO CCOCCC(=O)N1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC000403978394 388630293 /nfs/dbraw/zinc/63/02/93/388630293.db2.gz FEBWUPIYYKRBLC-MNOVXSKESA-N 1 0 242.319 0.002 10 0 BCAERO COC[C@@H](C)[NH2+]C[C@@H](O)COCc1ccco1 ZINC000037847461 388647936 /nfs/dbraw/zinc/64/79/36/388647936.db2.gz NNYDGYSPBFPOOA-GHMZBOCLSA-N 1 0 243.303 0.782 10 0 BCAERO CCOCCN1CC[NH+](C[C@](C)(O)CC)CC1 ZINC000123540692 388655047 /nfs/dbraw/zinc/65/50/47/388655047.db2.gz PJJMTDPAOBLNBC-CYBMUJFWSA-N 1 0 244.379 0.802 10 0 BCAERO CO[C@H](C)CNC(=O)[C@]1(C)CCCC[NH2+]1 ZINC000223763133 388657667 /nfs/dbraw/zinc/65/76/67/388657667.db2.gz DVFJUVKZQNUISJ-KOLCDFICSA-N 1 0 214.309 0.670 10 0 BCAERO CCOCCN1CC[N@H+](C[C@H](C)O)C[C@H]1CC ZINC000248643696 388688606 /nfs/dbraw/zinc/68/86/06/388688606.db2.gz DWJLQWYXRIKWHM-QWHCGFSZSA-N 1 0 244.379 0.800 10 0 BCAERO Cc1c(C[NH2+][C@@H]2CCC[C@@H]2CO)cnn1C ZINC000126267371 388692948 /nfs/dbraw/zinc/69/29/48/388692948.db2.gz PIHKFSQICNIALG-ZYHUDNBSSA-N 1 0 223.320 0.979 10 0 BCAERO C[NH2+]C[C@@H]1OCCN(C)[C@H]1c1cnn(C)c1 ZINC000069797508 388698153 /nfs/dbraw/zinc/69/81/53/388698153.db2.gz GUUUFGPKSXSYCA-QWRGUYRKSA-N 1 0 224.308 0.011 10 0 BCAERO CSC[C@H](O)C[NH+]1[C@H](C)COC[C@H]1C ZINC000249191912 388711504 /nfs/dbraw/zinc/71/15/04/388711504.db2.gz AGDNDJMLTYVSNP-OPRDCNLKSA-N 1 0 219.350 0.820 10 0 BCAERO C[NH+](C)C[C@@H]1CN(CC[C@H]2CCCO2)CCO1 ZINC000249277444 388714228 /nfs/dbraw/zinc/71/42/28/388714228.db2.gz KFJWRHKJZFMKSM-CHWSQXEVSA-N 1 0 242.363 0.818 10 0 BCAERO CSC[C@H](C)NC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000226365734 388716214 /nfs/dbraw/zinc/71/62/14/388716214.db2.gz NWNQXDSCPRNGMM-XHNCKOQMSA-N 1 0 216.350 0.982 10 0 BCAERO COC(=O)[C@@]1(C)CCC[N@@H+]1C[C@@H](C)O ZINC000249532930 388726558 /nfs/dbraw/zinc/72/65/58/388726558.db2.gz JRIZXLKIZCPIEG-PSASIEDQSA-N 1 0 201.266 0.395 10 0 BCAERO C[C@@H]1C[C@H](NC(=O)[C@@]2(C)CCC[NH2+]2)CCO1 ZINC000226703877 388727470 /nfs/dbraw/zinc/72/74/70/388727470.db2.gz NRERUYKHQVKYHS-CKYFFXLPSA-N 1 0 226.320 0.812 10 0 BCAERO O[C@H](c1cncs1)[C@H]1C[NH2+]CCS1 ZINC000575449281 388731911 /nfs/dbraw/zinc/73/19/11/388731911.db2.gz DMLRCUHZICYVOB-SVRRBLITSA-N 1 0 216.331 0.882 10 0 BCAERO [NH3+][C@@H]1CSC[C@@H]1C[C@H]1COCCO1 ZINC000575461395 388808217 /nfs/dbraw/zinc/80/82/17/388808217.db2.gz DHWWIVVXXRYQQC-XHNCKOQMSA-N 1 0 203.307 0.482 10 0 BCAERO [NH3+][C@@H]1CCO[C@H]1[C@H](O)c1cscn1 ZINC000575454372 388760716 /nfs/dbraw/zinc/76/07/16/388760716.db2.gz PUOSJKWBOZTMAV-LPBLVHEISA-N 1 0 200.263 0.293 10 0 BCAERO CCCCOC[C@@H](O)C[N@@H+]1CC[C@@H](OC)C1 ZINC000227908281 388760958 /nfs/dbraw/zinc/76/09/58/388760958.db2.gz KBFGKOSOCBXJGZ-NWDGAFQWSA-N 1 0 231.336 0.885 10 0 BCAERO Cc1c(C[NH2+]CCC[C@@H](C)O)cnn1C ZINC000227953227 388762722 /nfs/dbraw/zinc/76/27/22/388762722.db2.gz QTMUJYGZKCHQHG-SECBINFHSA-N 1 0 211.309 0.979 10 0 BCAERO O[C@H](c1ccsn1)[C@H]1C[NH2+]CCS1 ZINC000575454684 388764768 /nfs/dbraw/zinc/76/47/68/388764768.db2.gz YUXMQDHBUOROED-HTQZYQBOSA-N 1 0 216.331 0.882 10 0 BCAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1O ZINC000252651426 388770334 /nfs/dbraw/zinc/77/03/34/388770334.db2.gz MMNGVZZOOMJKRA-NNYUYHANSA-N 1 0 240.347 0.794 10 0 BCAERO CS(C)(=O)=NC[C@@H]1C[NH2+]CC1(F)F ZINC000575456061 388784649 /nfs/dbraw/zinc/78/46/49/388784649.db2.gz ZINXXWIMJQYLKL-LURJTMIESA-N 1 0 212.265 0.569 10 0 BCAERO CC[C@](C)(O)C[N@@H+]1CCC[C@@H](CO)C1 ZINC000229384132 388787828 /nfs/dbraw/zinc/78/78/28/388787828.db2.gz YSOCQNDTKRSXBD-MNOVXSKESA-N 1 0 201.310 0.852 10 0 BCAERO CO[C@@H]1C[C@@H](CO)[N@H+](Cc2cncc(C)c2)C1 ZINC000284504026 388828153 /nfs/dbraw/zinc/82/81/53/388828153.db2.gz DLHQHLJVNHEYCX-QWHCGFSZSA-N 1 0 236.315 0.972 10 0 BCAERO Brc1cnnn1C[C@@H]1C[NH2+]CCO1 ZINC000575463766 388831448 /nfs/dbraw/zinc/83/14/48/388831448.db2.gz AZVVPUQGXJTRMI-LURJTMIESA-N 1 0 247.096 0.029 10 0 BCAERO C[C@H](C[NH3+])NC(=O)[C@@H]1CCC(F)(F)C1 ZINC000301032435 388845201 /nfs/dbraw/zinc/84/52/01/388845201.db2.gz VLMCEWWKTNBMBS-RNFRBKRXSA-N 1 0 206.236 0.885 10 0 BCAERO Cn1c(Cl)cnc1[C@@H](O)C(C)(C)[NH3+] ZINC000301034443 388845400 /nfs/dbraw/zinc/84/54/00/388845400.db2.gz SSONBDUHOAYNMC-ZCFIWIBFSA-N 1 0 203.673 0.844 10 0 BCAERO Cc1cc(-c2nnnn2CC[NH3+])ccc1F ZINC000042199160 177694866 /nfs/dbraw/zinc/69/48/66/177694866.db2.gz NRUUDKQIZFGHAH-UHFFFAOYSA-N 1 0 221.239 0.746 10 0 BCAERO [NH3+][C@@H]1CC(=O)N(CC2SCCS2)C1 ZINC000575472466 388850042 /nfs/dbraw/zinc/85/00/42/388850042.db2.gz ZBWLPPOQBVXQFJ-ZCFIWIBFSA-N 1 0 218.347 0.352 10 0 BCAERO C[C@@H]1C[NH2+][C@@H](C)CN1c1ncc(F)cn1 ZINC000163677359 132235752 /nfs/dbraw/zinc/23/57/52/132235752.db2.gz LGEMOILJDGJXOQ-JGVFFNPUSA-N 1 0 210.256 0.802 10 0 BCAERO c1snnc1CN1CC[C@H]2OCC[NH2+][C@H]2C1 ZINC000404193267 388950962 /nfs/dbraw/zinc/95/09/62/388950962.db2.gz MCUSZDHMLGXDRB-VHSXEESVSA-N 1 0 240.332 0.101 10 0 BCAERO Fc1cnc(N2CC[N@@H+]3CCC[C@@H]3C2)nc1 ZINC000269476288 132305005 /nfs/dbraw/zinc/30/50/05/132305005.db2.gz KHMPVXXXHXFAEG-SNVBAGLBSA-N 1 0 222.267 0.900 10 0 BCAERO NC(=O)c1ccc(N2CCC([NH3+])CC2)cc1 ZINC000036754938 132342412 /nfs/dbraw/zinc/34/24/12/132342412.db2.gz HWYUZPKWCBEBLX-UHFFFAOYSA-N 1 0 219.288 0.713 10 0 BCAERO [NH3+]Cc1ccc(N2CCCC[C@@H]2CO)nc1 ZINC000042432055 132351865 /nfs/dbraw/zinc/35/18/65/132351865.db2.gz WYZTXZGRWPMJIQ-LLVKDONJSA-N 1 0 221.304 0.892 10 0 BCAERO Cc1cc(N2CCC[C@@H](C[NH3+])C2)ncn1 ZINC000044532158 132354237 /nfs/dbraw/zinc/35/42/37/132354237.db2.gz SFVUBIXQHUMAKU-JTQLQIEISA-N 1 0 206.293 0.960 10 0 BCAERO C[C@H]1CN(c2ccc(C[NH3+])nn2)CCO1 ZINC000051396238 132360178 /nfs/dbraw/zinc/36/01/78/132360178.db2.gz IVXDYDQPCCLMRW-QMMMGPOBSA-N 1 0 208.265 0.160 10 0 BCAERO NC(=O)c1cc(Cl)ccc1N1CC[NH2+]CC1 ZINC000052856074 132362737 /nfs/dbraw/zinc/36/27/37/132362737.db2.gz XSKOOBPFBSFXMW-UHFFFAOYSA-N 1 0 239.706 0.849 10 0 BCAERO CC1(C)CN(c2nccnc2C[NH3+])CCO1 ZINC000054377415 132364587 /nfs/dbraw/zinc/36/45/87/132364587.db2.gz YJTMRLOAECMHMX-UHFFFAOYSA-N 1 0 222.292 0.551 10 0 BCAERO CC(C)C[C@@H](CO)[NH2+]C[C@H](O)Cn1cccn1 ZINC000040776714 322833883 /nfs/dbraw/zinc/83/38/83/322833883.db2.gz YYYGDOLHPTZIHX-RYUDHWBXSA-N 1 0 241.335 0.241 10 0 BCAERO NC(=O)c1cc(N2CCCC[C@@H]2C[NH3+])ccn1 ZINC000044559411 132225182 /nfs/dbraw/zinc/22/51/82/132225182.db2.gz FWGBNNZNKRPQID-SNVBAGLBSA-N 1 0 234.303 0.498 10 0 BCAERO NC(=O)c1cc(N2CCC[C@H](CC[NH3+])C2)ccn1 ZINC000070074045 132229994 /nfs/dbraw/zinc/22/99/94/132229994.db2.gz LTCLEFBLXKIQML-SNVBAGLBSA-N 1 0 248.330 0.746 10 0 BCAERO CN1C[C@H](C2=[NH+]CCN2)Oc2ccccc21 ZINC000013518735 132243477 /nfs/dbraw/zinc/24/34/77/132243477.db2.gz XUDJUNXWEZQPME-LLVKDONJSA-N 1 0 217.272 0.886 10 0 BCAERO Cc1nnc(N2CC[C@@H](C)[C@@H](C[NH3+])C2)nc1C ZINC000229093911 132292070 /nfs/dbraw/zinc/29/20/70/132292070.db2.gz ZSKMTBBKHYJJOY-KCJUWKMLSA-N 1 0 235.335 0.910 10 0 BCAERO c1cc(N2CCCCC2)nc(N2CC[NH2+]CC2)n1 ZINC000045948159 132298584 /nfs/dbraw/zinc/29/85/84/132298584.db2.gz YSCJDCWOMWJAQT-UHFFFAOYSA-N 1 0 247.346 0.877 10 0 BCAERO Cc1ccnc(N2C[C@@H](C)[NH2+]C[C@H]2C)n1 ZINC000250862823 132303569 /nfs/dbraw/zinc/30/35/69/132303569.db2.gz DWAZJTUSXXEPTM-NXEZZACHSA-N 1 0 206.293 0.972 10 0 BCAERO Clc1cn2ccnc2c(N2CC[NH2+]CC2)n1 ZINC000013728053 132322261 /nfs/dbraw/zinc/32/22/61/132322261.db2.gz NTXSQRDZZRTWHR-UHFFFAOYSA-N 1 0 237.694 0.792 10 0 BCAERO NC(=O)[C@@H]1CCCN(c2ccc(C[NH3+])cn2)C1 ZINC000019257730 132324282 /nfs/dbraw/zinc/32/42/82/132324282.db2.gz BSTCQWWRECMNHK-SNVBAGLBSA-N 1 0 234.303 0.242 10 0 BCAERO C[C@H](C[NH3+])N1CCN(c2ccccn2)CC1 ZINC000019390437 132324611 /nfs/dbraw/zinc/32/46/11/132324611.db2.gz DSHBYGJXIFNKHL-LLVKDONJSA-N 1 0 220.320 0.551 10 0 BCAERO C[NH+]1CCN(c2cc(C(N)=S)ccn2)CC1 ZINC000019433606 132324904 /nfs/dbraw/zinc/32/49/04/132324904.db2.gz LTLHMRDGXGPUKA-UHFFFAOYSA-N 1 0 236.344 0.468 10 0 BCAERO C[C@H]([NH3+])c1c(F)cccc1N1CCNC(=O)C1 ZINC000019872636 132328382 /nfs/dbraw/zinc/32/83/82/132328382.db2.gz YAJVQHBNXAJQDP-QMMMGPOBSA-N 1 0 237.278 0.782 10 0 BCAERO C[C@H](O)C[NH+]1CCN(c2cccc(N)c2)CC1 ZINC000020265194 132330385 /nfs/dbraw/zinc/33/03/85/132330385.db2.gz WJPXGYMDCJPECY-NSHDSACASA-N 1 0 235.331 0.772 10 0 BCAERO C[NH2+]CC(=O)N1CC(=O)Nc2ccccc21 ZINC000020293630 132331109 /nfs/dbraw/zinc/33/11/09/132331109.db2.gz AYDDZVXYBAAINA-UHFFFAOYSA-N 1 0 219.244 0.191 10 0 BCAERO O=C([C@@H]1CCC[NH2+]1)N1CC(=O)Nc2ccccc21 ZINC000020293678 132331202 /nfs/dbraw/zinc/33/12/02/132331202.db2.gz AHYIMBMRBIRLTE-JTQLQIEISA-N 1 0 245.282 0.724 10 0 BCAERO NC(=O)[C@H]1CCCN(c2cc[nH+]cc2N)C1 ZINC000020370409 132331367 /nfs/dbraw/zinc/33/13/67/132331367.db2.gz CMVBGRSUDRXRPB-QMMMGPOBSA-N 1 0 220.276 0.366 10 0 BCAERO c1cc(N2CCOCC2)ccc1N1CC[NH2+]CC1 ZINC000020397857 132331390 /nfs/dbraw/zinc/33/13/90/132331390.db2.gz PHMRTDTVSRLPCU-UHFFFAOYSA-N 1 0 247.342 0.933 10 0 BCAERO O=C1Nc2c(F)cccc2N2CC[NH2+]C[C@H]12 ZINC000026158674 132333598 /nfs/dbraw/zinc/33/35/98/132333598.db2.gz BGXZPCDCBAFZDS-SECBINFHSA-N 1 0 221.235 0.556 10 0 BCAERO c1ccc(N2CCN(C3CC[NH2+]CC3)CC2)nc1 ZINC000031992578 132334944 /nfs/dbraw/zinc/33/49/44/132334944.db2.gz KZYYHKJBHLYRMD-UHFFFAOYSA-N 1 0 246.358 0.956 10 0 BCAERO C[C@H]1CN(c2ncccc2C(N)=[NH2+])C[C@H](C)O1 ZINC000034679305 132336708 /nfs/dbraw/zinc/33/67/08/132336708.db2.gz UWJOOPGLOGIVGG-IUCAKERBSA-N 1 0 234.303 0.979 10 0 BCAERO NC(=O)c1ccc(N2CCC([NH3+])CC2)nc1 ZINC000034566414 132336864 /nfs/dbraw/zinc/33/68/64/132336864.db2.gz IBFVCMAHXVYHFQ-UHFFFAOYSA-N 1 0 220.276 0.108 10 0 BCAERO C[C@H]1COCCN1c1ccc(C[NH3+])cn1 ZINC000035773384 132339014 /nfs/dbraw/zinc/33/90/14/132339014.db2.gz RAFITPJXZITVJY-VIFPVBQESA-N 1 0 207.277 0.765 10 0 BCAERO Cc1cc(N2CC[NH+](CCO)CC2)ncc1N ZINC000036250839 132341676 /nfs/dbraw/zinc/34/16/76/132341676.db2.gz OKQIROIQISMZHL-UHFFFAOYSA-N 1 0 236.319 0.087 10 0 BCAERO CC[C@@H]1CN(c2cc(C(N)=[NH2+])ccn2)CCO1 ZINC000036769926 132342539 /nfs/dbraw/zinc/34/25/39/132342539.db2.gz VLIGCKVAAVCAFL-SNVBAGLBSA-N 1 0 234.303 0.981 10 0 BCAERO CN1CCN(c2ccc(C(N)=[NH2+])cc2F)CC1 ZINC000036887729 132342972 /nfs/dbraw/zinc/34/29/72/132342972.db2.gz NVRZIFDCAFEQEH-UHFFFAOYSA-N 1 0 236.294 0.862 10 0 BCAERO CC[C@H](CC[NH3+])N1CCN(c2cnccn2)CC1 ZINC000037039556 132343269 /nfs/dbraw/zinc/34/32/69/132343269.db2.gz JRUQSQLJBUFNJT-GFCCVEGCSA-N 1 0 249.362 0.726 10 0 BCAERO Cc1ccc(N2CCN(CCC[NH3+])CC2)nc1 ZINC000037037827 132343487 /nfs/dbraw/zinc/34/34/87/132343487.db2.gz DFCRXUGOQZWDSX-UHFFFAOYSA-N 1 0 234.347 0.861 10 0 BCAERO NNc1[nH+]cnc(N2CCCCC2)c1N ZINC000040724816 132348509 /nfs/dbraw/zinc/34/85/09/132348509.db2.gz PHRZIKNTAFDEFD-UHFFFAOYSA-N 1 0 208.269 0.335 10 0 BCAERO NC(=O)c1ccc(N2CCC[C@@H]([NH3+])C2)nc1 ZINC000041030200 132349002 /nfs/dbraw/zinc/34/90/02/132349002.db2.gz CLYKWPWSUATSBU-SECBINFHSA-N 1 0 220.276 0.108 10 0 BCAERO Cc1cc2ncnn2c(N2CCC[C@H]([NH3+])C2)c1 ZINC000041030309 132349166 /nfs/dbraw/zinc/34/91/66/132349166.db2.gz OLZRRYRDVLMKKY-JTQLQIEISA-N 1 0 231.303 0.965 10 0 BCAERO CCC[NH+]1CCN(c2ncc(N)cn2)CC1 ZINC000042356396 132351085 /nfs/dbraw/zinc/35/10/85/132351085.db2.gz PWMWWOMWIASNCF-UHFFFAOYSA-N 1 0 221.308 0.591 10 0 BCAERO NC(=O)[C@H]1CCCCN1c1ccc(C[NH3+])cn1 ZINC000042403552 132351264 /nfs/dbraw/zinc/35/12/64/132351264.db2.gz OOHFPJBJXSXRTR-SNVBAGLBSA-N 1 0 234.303 0.385 10 0 BCAERO C[C@H]1CC[C@@H](C(N)=O)CN1c1cc(C[NH3+])ccn1 ZINC000042427005 132351682 /nfs/dbraw/zinc/35/16/82/132351682.db2.gz ZMAVOUGRBNOHDJ-GXSJLCMTSA-N 1 0 248.330 0.631 10 0 BCAERO C[C@H]1CC[C@H](C(N)=O)CN1c1cc(C[NH3+])ccn1 ZINC000042427003 132351700 /nfs/dbraw/zinc/35/17/00/132351700.db2.gz ZMAVOUGRBNOHDJ-ONGXEEELSA-N 1 0 248.330 0.631 10 0 BCAERO NC(=O)CC1CCN(c2cc(C[NH3+])ccn2)CC1 ZINC000042427028 132352058 /nfs/dbraw/zinc/35/20/58/132352058.db2.gz HMWKOFITWSWIDV-UHFFFAOYSA-N 1 0 248.330 0.632 10 0 BCAERO Nc1cc[nH+]c(N2CCC(CO)CC2)c1 ZINC000043568814 132353340 /nfs/dbraw/zinc/35/33/40/132353340.db2.gz CUQCTPQAJCVKOH-UHFFFAOYSA-N 1 0 207.277 0.873 10 0 BCAERO Cc1cc(N2CCC[C@H](C[NH3+])C2)ncn1 ZINC000044532156 132354439 /nfs/dbraw/zinc/35/44/39/132354439.db2.gz SFVUBIXQHUMAKU-SNVBAGLBSA-N 1 0 206.293 0.960 10 0 BCAERO Cn1ncc2c1ncnc2N1CCCC[C@H]1C[NH3+] ZINC000044559339 132354495 /nfs/dbraw/zinc/35/44/95/132354495.db2.gz DXQSPLLIFRNBKY-VIFPVBQESA-N 1 0 246.318 0.681 10 0 BCAERO O=C1N[C@@H]2C[NH2+]CCN2c2ccc(Cl)cc21 ZINC000045336371 132354611 /nfs/dbraw/zinc/35/46/11/132354611.db2.gz CWJOBEOKOYQOQU-JTQLQIEISA-N 1 0 237.690 0.819 10 0 BCAERO NC(=O)[C@@H]([NH3+])CN1CCCc2ccccc21 ZINC000045378833 132354693 /nfs/dbraw/zinc/35/46/93/132354693.db2.gz OOGDVTMNFPLWOU-JTQLQIEISA-N 1 0 219.288 0.252 10 0 BCAERO COc1nc(N2CC[NH2+]CC2)ccc1N ZINC000050607379 132359319 /nfs/dbraw/zinc/35/93/19/132359319.db2.gz AELKFMNBVJDVQV-UHFFFAOYSA-N 1 0 208.265 0.082 10 0 BCAERO Cc1cccnc1N1CCO[C@H](C[NH3+])C1 ZINC000051040756 132359863 /nfs/dbraw/zinc/35/98/63/132359863.db2.gz QDGJORHKGKYCFB-SNVBAGLBSA-N 1 0 207.277 0.554 10 0 BCAERO C[NH2+]Cc1ccc(N2CCS(=O)CC2)nc1 ZINC000051484741 132361193 /nfs/dbraw/zinc/36/11/93/132361193.db2.gz MXGOIIFWMVBNLU-UHFFFAOYSA-N 1 0 239.344 0.370 10 0 BCAERO C[C@@H]1CN(c2ccc(Cl)nn2)CC[NH2+]1 ZINC000052783313 132362376 /nfs/dbraw/zinc/36/23/76/132362376.db2.gz FDWLZDBSLRBFKM-SSDOTTSWSA-N 1 0 212.684 0.928 10 0 BCAERO C[C@@H]1CN(c2nccnc2C[NH3+])[C@H](C)CO1 ZINC000054377221 132364288 /nfs/dbraw/zinc/36/42/88/132364288.db2.gz GIQLPSCUZYPLGP-RKDXNWHRSA-N 1 0 222.292 0.549 10 0 BCAERO C[C@H]1CN(c2nccnc2C[NH3+])CCO1 ZINC000054376890 132364327 /nfs/dbraw/zinc/36/43/27/132364327.db2.gz VOAZIXAJWJLNNP-QMMMGPOBSA-N 1 0 208.265 0.160 10 0 BCAERO C[C@@H]1CN(c2nccnc2C[NH3+])C[C@H](C)O1 ZINC000054376878 132364363 /nfs/dbraw/zinc/36/43/63/132364363.db2.gz ANEXQWWBBMRBDU-DTORHVGOSA-N 1 0 222.292 0.549 10 0 BCAERO CN(C)c1nccc(N2CCCC[C@@H]2C[NH3+])n1 ZINC000068690140 132364904 /nfs/dbraw/zinc/36/49/04/132364904.db2.gz MLHTZGQHXFSEPC-SNVBAGLBSA-N 1 0 235.335 0.860 10 0 BCAERO [NH3+]CCc1ccnc(N2CCCCC2)n1 ZINC000054833739 132365024 /nfs/dbraw/zinc/36/50/24/132365024.db2.gz RLIVLLHWQOMMTD-UHFFFAOYSA-N 1 0 206.293 0.968 10 0 BCAERO Cc1cccc(N2CCN([C@@H](C)C[NH3+])CC2)n1 ZINC000058022134 132367916 /nfs/dbraw/zinc/36/79/16/132367916.db2.gz KPGLULSXMOXSCV-LBPRGKRZSA-N 1 0 234.347 0.859 10 0 BCAERO Cc1cccc(N2CCN([C@H](C)C[NH3+])CC2)n1 ZINC000058022135 132367940 /nfs/dbraw/zinc/36/79/40/132367940.db2.gz KPGLULSXMOXSCV-GFCCVEGCSA-N 1 0 234.347 0.859 10 0 BCAERO NC(=O)c1ccc(N2CC[NH2+]CC2)c(Cl)c1 ZINC000062790332 132388572 /nfs/dbraw/zinc/38/85/72/132388572.db2.gz LGYORSAUCSFPEH-UHFFFAOYSA-N 1 0 239.706 0.849 10 0 BCAERO C[C@H]1C[NH2+]CCN1c1ccc(N)cc1CO ZINC000071792985 132395818 /nfs/dbraw/zinc/39/58/18/132395818.db2.gz GERNPGVEIMKSNY-VIFPVBQESA-N 1 0 221.304 0.559 10 0 BCAERO O=C(NC1CCSCC1)[C@H]1CCC[NH2+]C1 ZINC000157572690 133488134 /nfs/dbraw/zinc/48/81/34/133488134.db2.gz JKAOHZWSSIDKFV-VIFPVBQESA-N 1 0 228.361 0.998 10 0 BCAERO c1cnc(N2CC[C@H]3[NH2+]CC[C@@H]3C2)nc1 ZINC000253184406 133653464 /nfs/dbraw/zinc/65/34/64/133653464.db2.gz NSUBKJAZGVOGCI-NXEZZACHSA-N 1 0 204.277 0.665 10 0 BCAERO CC(C)N(C)C(=O)CN1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000253199843 133653995 /nfs/dbraw/zinc/65/39/95/133653995.db2.gz BNRMOZGLBOLNFX-VXGBXAGGSA-N 1 0 241.379 0.770 10 0 BCAERO COc1cc(OC)nc(NCC[C@H](C)[NH3+])n1 ZINC000168449034 134198231 /nfs/dbraw/zinc/19/82/31/134198231.db2.gz TUONQRFLODWSCW-ZETCQYMHSA-N 1 0 226.280 0.643 10 0 BCAERO CC1(C)CN(C(=O)[C@H]2CC[C@@H]([NH3+])C2)CCO1 ZINC000085010765 134220928 /nfs/dbraw/zinc/22/09/28/134220928.db2.gz UBZAOTHRACUZLM-VHSXEESVSA-N 1 0 226.320 0.751 10 0 BCAERO COCCCCNC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000085012350 134220950 /nfs/dbraw/zinc/22/09/50/134220950.db2.gz PIKZHSZZBFMRHI-UWVGGRQHSA-N 1 0 214.309 0.657 10 0 BCAERO [NH3+][C@@H]1CC[C@@H](C(=O)N2CCCOCC2)C1 ZINC000085012926 134221152 /nfs/dbraw/zinc/22/11/52/134221152.db2.gz YEHNEHOSHVSZOI-NXEZZACHSA-N 1 0 212.293 0.363 10 0 BCAERO [NH3+][C@@H]1CC[C@H](C(=O)NCc2cscn2)C1 ZINC000085013305 134221642 /nfs/dbraw/zinc/22/16/42/134221642.db2.gz LRFWLSZKRFODFH-JGVFFNPUSA-N 1 0 225.317 0.887 10 0 BCAERO [NH3+]C[C@@H]1CCCN1C(=O)Cc1ccncc1 ZINC000168859433 134247331 /nfs/dbraw/zinc/24/73/31/134247331.db2.gz SVRMLLLNMWZJMJ-NSHDSACASA-N 1 0 219.288 0.574 10 0 BCAERO O=C(CN1CC[N@@H+]2CCC[C@@H]2C1)NCC1CC1 ZINC000171639740 134257394 /nfs/dbraw/zinc/25/73/94/134257394.db2.gz AZFMLWTZVJVTHW-GFCCVEGCSA-N 1 0 237.347 0.293 10 0 BCAERO CCOCC[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000173926488 134276256 /nfs/dbraw/zinc/27/62/56/134276256.db2.gz CLDIGOHVYPJJDJ-GFCCVEGCSA-N 1 0 228.336 0.429 10 0 BCAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)OC ZINC000175037578 134284437 /nfs/dbraw/zinc/28/44/37/134284437.db2.gz GSEIMTKUJHUBOZ-GHMZBOCLSA-N 1 0 226.320 0.718 10 0 BCAERO CC(=O)CC[N@@H+]1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000177225228 134295978 /nfs/dbraw/zinc/29/59/78/134295978.db2.gz YGRLQWKKMLHCMX-AAEUAGOBSA-N 1 0 240.347 0.618 10 0 BCAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ncnn1C ZINC000177171766 134296443 /nfs/dbraw/zinc/29/64/43/134296443.db2.gz FNWQJYIUXYTQIJ-WDEREUQCSA-N 1 0 235.335 0.484 10 0 BCAERO COC[C@H]([NH3+])C(=O)N[C@@H]1CCC[C@@H](C)C1 ZINC000220149196 134301122 /nfs/dbraw/zinc/30/11/22/134301122.db2.gz OOGMSBZLTDQAQF-BBBLOLIVSA-N 1 0 214.309 0.655 10 0 BCAERO C[C@@H]1CC[C@@H](C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)O1 ZINC000178231570 134305348 /nfs/dbraw/zinc/30/53/48/134305348.db2.gz RETKPYDKEFSNRG-UTUOFQBUSA-N 1 0 238.331 0.861 10 0 BCAERO CCO[C@@H]1C[C@H]1C(=O)NCCC[NH2+]C ZINC000178417117 134310194 /nfs/dbraw/zinc/31/01/94/134310194.db2.gz JATIFKZPEQRGCB-RKDXNWHRSA-N 1 0 200.282 0.137 10 0 BCAERO C[C@@H]([NH3+])CCNC(=O)CCCNC(=O)C1CC1 ZINC000178652577 134312580 /nfs/dbraw/zinc/31/25/80/134312580.db2.gz HEFOXUFCTMQNLA-SECBINFHSA-N 1 0 241.335 0.146 10 0 BCAERO C[Si](C)(C)C[N@@H+]1C[C@H](O)C[C@@H]1CO ZINC000179173919 134318016 /nfs/dbraw/zinc/31/80/16/134318016.db2.gz JOBQKZFXNFCSJA-RKDXNWHRSA-N 1 0 203.358 0.291 10 0 BCAERO C[C@@H]([NH2+]C[C@H]1CN(C)CCO1)C1CCOCC1 ZINC000221959739 134326605 /nfs/dbraw/zinc/32/66/05/134326605.db2.gz KGYVMZOMTZYNFH-YPMHNXCESA-N 1 0 242.363 0.722 10 0 BCAERO C[C@@H]([NH2+]C[C@@H]1CN(C)CCO1)C1CCOCC1 ZINC000221959629 134326846 /nfs/dbraw/zinc/32/68/46/134326846.db2.gz KGYVMZOMTZYNFH-DGCLKSJQSA-N 1 0 242.363 0.722 10 0 BCAERO COC[C@H]([NH2+][C@H]1CCc2ncnn2C1)C(C)C ZINC000180600852 134330582 /nfs/dbraw/zinc/33/05/82/134330582.db2.gz RBDDDKWDKNNUNL-QWRGUYRKSA-N 1 0 238.335 0.854 10 0 BCAERO Cc1oncc1CN1CCO[C@H](C[NH+](C)C)C1 ZINC000181693555 134338554 /nfs/dbraw/zinc/33/85/54/134338554.db2.gz AHKPOQZYBXSFBR-GFCCVEGCSA-N 1 0 239.319 0.745 10 0 BCAERO CCOC[C@H](O)C[N@@H+]1CCS[C@@H](C)C1 ZINC000226656798 134368547 /nfs/dbraw/zinc/36/85/47/134368547.db2.gz NGYPBNPPGQQYDC-VHSXEESVSA-N 1 0 219.350 0.821 10 0 BCAERO C[C@@H]1OCC[C@]1(O)C[NH2+]C1CCC(O)CC1 ZINC000227126190 134376271 /nfs/dbraw/zinc/37/62/71/134376271.db2.gz QCBJDYYRLNDMRJ-XKGSQUFQSA-N 1 0 229.320 0.419 10 0 BCAERO CCOC(=O)[C@H](C)N1C[C@@H](C)[C@H]([NH+](C)C)C1 ZINC000227228656 134376613 /nfs/dbraw/zinc/37/66/13/134376613.db2.gz NBLRFSXELKZISJ-OUAUKWLOSA-N 1 0 228.336 0.820 10 0 BCAERO COc1cc(N2CC[NH2+]C[C@@H]2C)ncn1 ZINC000085481313 134377054 /nfs/dbraw/zinc/37/70/54/134377054.db2.gz DWPDBIGASMAPAS-QMMMGPOBSA-N 1 0 208.265 0.283 10 0 BCAERO CCC(C)(C)NC(=O)C[N@@H+]1CC[C@H](CCO)C1 ZINC000227569127 134383150 /nfs/dbraw/zinc/38/31/50/134383150.db2.gz QQLPVLSOPOVMGX-LLVKDONJSA-N 1 0 242.363 0.996 10 0 BCAERO C[C@@H](C(=O)NC(C)(C)C)[N@@H+]1CC[C@@H](CCO)C1 ZINC000227566546 134383187 /nfs/dbraw/zinc/38/31/87/134383187.db2.gz KSEYNNZNJFFVJA-QWRGUYRKSA-N 1 0 242.363 0.994 10 0 BCAERO COC(=O)[C@H](C1CC1)[N@@H+]1CC[C@@H](CCO)C1 ZINC000227840203 134391000 /nfs/dbraw/zinc/39/10/00/134391000.db2.gz ZHONATUABGLCFN-ONGXEEELSA-N 1 0 227.304 0.642 10 0 BCAERO C[C@@H]1C(=O)NCCC[N@H+]1CCCCCO ZINC000189297696 134544792 /nfs/dbraw/zinc/54/47/92/134544792.db2.gz IZGFZXLTRKJOLM-SNVBAGLBSA-N 1 0 214.309 0.359 10 0 BCAERO COC[C@@H](C)C(=O)N[C@H](C[NH3+])CC(C)C ZINC000155461767 134693048 /nfs/dbraw/zinc/69/30/48/134693048.db2.gz HDNWPJFPUCGONS-ZJUUUORDSA-N 1 0 216.325 0.759 10 0 BCAERO COC(=O)[C@H](C)C[NH2+][C@H]1CCO[C@@H]1C ZINC000134543935 134714212 /nfs/dbraw/zinc/71/42/12/134714212.db2.gz YCVBUPXFDMDCMV-HLTSFMKQSA-N 1 0 201.266 0.563 10 0 BCAERO [NH3+][C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2C2CC2)C1 ZINC000158613629 134741026 /nfs/dbraw/zinc/74/10/26/134741026.db2.gz YWUHRDYZPPCDFF-GMTAPVOTSA-N 1 0 208.305 0.982 10 0 BCAERO CN(C)c1nccc(N2C[C@H](F)C[C@@H]2C[NH3+])n1 ZINC000407986763 134806402 /nfs/dbraw/zinc/80/64/02/134806402.db2.gz HUHDAUQJXYGYPH-RKDXNWHRSA-N 1 0 239.298 0.418 10 0 BCAERO CC(C)(C)[S@@](=O)CCNC(=O)[C@@H]1CC[NH2+]C1 ZINC000158325295 134825016 /nfs/dbraw/zinc/82/50/16/134825016.db2.gz NVGPTABPCVKSHS-JDNHERCYSA-N 1 0 246.376 0.259 10 0 BCAERO Cc1cccnc1C(=O)N1C[C@H]([NH3+])[C@@H](C)C1 ZINC000235686251 135048442 /nfs/dbraw/zinc/04/84/42/135048442.db2.gz CWDPHIXRSHZBEC-UWVGGRQHSA-N 1 0 219.288 0.809 10 0 BCAERO CCCNC(=O)[C@H](C)[NH2+][C@H]1CCO[C@H]1C ZINC000250346224 135052919 /nfs/dbraw/zinc/05/29/19/135052919.db2.gz BSAJRQFTLIVSQN-GUBZILKMSA-N 1 0 214.309 0.668 10 0 BCAERO COC(=O)[C@@H](C1CC1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000250368671 135053097 /nfs/dbraw/zinc/05/30/97/135053097.db2.gz MNQMTQMDWDGBOI-NWDGAFQWSA-N 1 0 238.331 0.718 10 0 BCAERO CC[C@H](CCO)CNC(=O)[C@H]1CCC[C@H]1[NH3+] ZINC000251074929 135062072 /nfs/dbraw/zinc/06/20/72/135062072.db2.gz KHGHPPNREOSVHO-OUAUKWLOSA-N 1 0 228.336 0.639 10 0 BCAERO COC(=O)[C@@](C)(O)C[N@@H+]1CCC[C@H]1CCCO ZINC000251086624 135063750 /nfs/dbraw/zinc/06/37/50/135063750.db2.gz JFPQPJSIAVJKEH-JQWIXIFHSA-N 1 0 245.319 0.147 10 0 BCAERO COC[C@@H](O)C[N@H+]1[C@H](C)COC[C@@H]1C ZINC000077657874 135072467 /nfs/dbraw/zinc/07/24/67/135072467.db2.gz HCMCQSVZYLTOKE-AEJSXWLSSA-N 1 0 203.282 0.103 10 0 BCAERO CC[C@H](C)[C@@H]([NH3+])C(=O)N[C@H](C)CCO ZINC000252033558 135082057 /nfs/dbraw/zinc/08/20/57/135082057.db2.gz ZTRSBYMNENEOAF-DJLDLDEBSA-N 1 0 202.298 0.247 10 0 BCAERO C[C@@H]1CCCN(c2ncnc3nc[nH]c32)[C@H]1C[NH3+] ZINC000252085670 135082272 /nfs/dbraw/zinc/08/22/72/135082272.db2.gz CTYACOWDHSUKNB-BDAKNGLRSA-N 1 0 246.318 0.917 10 0 BCAERO CC(C)[NH2+]CCN1CC[C@@H]([C@H](C)O)C1 ZINC000246081315 135082695 /nfs/dbraw/zinc/08/26/95/135082695.db2.gz GZXFELDSXZSNCH-WDEREUQCSA-N 1 0 200.326 0.687 10 0 BCAERO COC[C@H]([NH3+])C(=O)N[C@H]1CCC[C@H]1C ZINC000252215257 135087628 /nfs/dbraw/zinc/08/76/28/135087628.db2.gz XMCLIJLPKJPPOW-VGMNWLOBSA-N 1 0 200.282 0.265 10 0 BCAERO Cc1c(CN2CC[NH2+][C@H](C)C2)cnn1C ZINC000086552447 135089778 /nfs/dbraw/zinc/08/97/78/135089778.db2.gz KVLPOURWAYTNDQ-SECBINFHSA-N 1 0 208.309 0.522 10 0 BCAERO COC(=O)[C@H](C)C[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000252447337 135089938 /nfs/dbraw/zinc/08/99/38/135089938.db2.gz JBYWRPKATLKSAU-KXUCPTDWSA-N 1 0 215.293 0.953 10 0 BCAERO C[C@@H]1C[N@H+](CC(C)(C)O)C[C@H]1N(C)C ZINC000252492854 135091131 /nfs/dbraw/zinc/09/11/31/135091131.db2.gz CUJQHAOXBDOEKB-NXEZZACHSA-N 1 0 200.326 0.639 10 0 BCAERO OC[C@H](O)CSCC[NH+]1CCCCC1 ZINC000086660489 135091468 /nfs/dbraw/zinc/09/14/68/135091468.db2.gz ROUAZMQVZWRJGH-JTQLQIEISA-N 1 0 219.350 0.559 10 0 BCAERO OC[C@@H](O)CSCCC[NH+]1CCCC1 ZINC000086660847 135093532 /nfs/dbraw/zinc/09/35/32/135093532.db2.gz QKCFCLWWEOBQCA-SNVBAGLBSA-N 1 0 219.350 0.559 10 0 BCAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)[C@H]2CCOC2)C1 ZINC000252663364 135094729 /nfs/dbraw/zinc/09/47/29/135094729.db2.gz FRRBKDBBEOTBMI-WOPDTQHZSA-N 1 0 240.347 0.868 10 0 BCAERO OCC[C@@H]1CC[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000252686897 135096569 /nfs/dbraw/zinc/09/65/69/135096569.db2.gz KNYRZUGNPOQOBZ-RYUDHWBXSA-N 1 0 212.337 0.690 10 0 BCAERO Cc1c(CN2CC[C@@H]([NH3+])[C@H](C)C2)cnn1C ZINC000086884463 135099910 /nfs/dbraw/zinc/09/99/10/135099910.db2.gz SRNFJSGVXDESGQ-BXKDBHETSA-N 1 0 222.336 0.898 10 0 BCAERO [NH3+]C[C@H]1CC[C@@H](C(=O)NC2CCCC2)O1 ZINC000087045287 135105036 /nfs/dbraw/zinc/10/50/36/135105036.db2.gz MZGZLGDHQGUSFH-ZJUUUORDSA-N 1 0 212.293 0.552 10 0 BCAERO C[C@H]1CCCN(C(=O)[C@@H]2CC[C@H](C[NH3+])O2)C1 ZINC000087045347 135105356 /nfs/dbraw/zinc/10/53/56/135105356.db2.gz QBRIEDPGNUCCNP-AXFHLTTASA-N 1 0 226.320 0.751 10 0 BCAERO COCC[C@H](C)NC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000087047700 135106568 /nfs/dbraw/zinc/10/65/68/135106568.db2.gz RZOQSDRCKKPCKO-AEJSXWLSSA-N 1 0 230.308 0.034 10 0 BCAERO COCCCNC(=O)[C@H]1CCC[NH2+][C@H]1C ZINC000087122110 135107028 /nfs/dbraw/zinc/10/70/28/135107028.db2.gz YTEXEENTYZSXHA-UWVGGRQHSA-N 1 0 214.309 0.527 10 0 BCAERO CC(C)COC[C@@H](O)C[NH2+]C1COC1 ZINC000087195304 135110734 /nfs/dbraw/zinc/11/07/34/135110734.db2.gz WIOCFOQJNOBFPT-JTQLQIEISA-N 1 0 203.282 0.008 10 0 BCAERO C1OCC1[NH2+][C@H]1CCO[C@]2(CCOC2)C1 ZINC000087195481 135111548 /nfs/dbraw/zinc/11/15/48/135111548.db2.gz GHCZYTUYGRAWFA-GXSJLCMTSA-N 1 0 213.277 0.313 10 0 BCAERO COC[C@H](C)C(=O)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261792397 135111976 /nfs/dbraw/zinc/11/19/76/135111976.db2.gz IGFIXGKNIQWSFK-VHSXEESVSA-N 1 0 228.336 0.855 10 0 BCAERO NC(=O)[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCOC1 ZINC000252813638 135112264 /nfs/dbraw/zinc/11/22/64/135112264.db2.gz RUGLMIZYYVIPPH-AEJSXWLSSA-N 1 0 212.293 0.409 10 0 BCAERO O[C@@H]1CC[C@@H]2C[N@@H+](C3CCOCC3)C[C@H]12 ZINC000252884327 135115495 /nfs/dbraw/zinc/11/54/95/135115495.db2.gz WIASKHRNMJNZKM-ADEWGFFLSA-N 1 0 211.305 0.868 10 0 BCAERO C[C@@H]([NH2+]C[C@H](O)COC(C)(C)C)[C@H](C)CO ZINC000252951967 135117845 /nfs/dbraw/zinc/11/78/45/135117845.db2.gz PLCVHMXAKPZAHN-MXWKQRLJSA-N 1 0 233.352 0.769 10 0 BCAERO CC(C)C[C@H](CO)[NH2+][C@@H](C)C[C@H]1COCCN1 ZINC000252971736 135118558 /nfs/dbraw/zinc/11/85/58/135118558.db2.gz YNMOJHOWRJGDKN-XQQFMLRXSA-N 1 0 244.379 0.750 10 0 BCAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)N[C@@H]1CCOC1 ZINC000087312144 135123023 /nfs/dbraw/zinc/12/30/23/135123023.db2.gz YUFGQSOZPGHDLE-IVZWLZJFSA-N 1 0 227.308 0.215 10 0 BCAERO C[C@@H](C(=O)N[C@H]1CCO[C@H]1C)C1C[NH2+]C1 ZINC000253168820 135123226 /nfs/dbraw/zinc/12/32/26/135123226.db2.gz AYYFBAHAPZATCU-WEDXCCLWSA-N 1 0 212.293 0.136 10 0 BCAERO O=C(NCc1ccccc1F)NC1C[NH2+]C1 ZINC000258276241 135132079 /nfs/dbraw/zinc/13/20/79/135132079.db2.gz UXANWJYFJPFIHI-UHFFFAOYSA-N 1 0 223.251 0.597 10 0 BCAERO COCCCC(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000087420354 135137149 /nfs/dbraw/zinc/13/71/49/135137149.db2.gz HDDNBISFIOSNRI-VHSXEESVSA-N 1 0 214.309 0.657 10 0 BCAERO [NH3+]C[C@@H]1CCCN1C(=O)C[C@@H]1CCCCO1 ZINC000087420113 135137336 /nfs/dbraw/zinc/13/73/36/135137336.db2.gz JUQHKLLIBYSRMJ-QWRGUYRKSA-N 1 0 226.320 0.895 10 0 BCAERO Cc1c(CN2CC[C@@]3(CC[NH2+]C3)C2)cnn1C ZINC000257701175 135139748 /nfs/dbraw/zinc/13/97/48/135139748.db2.gz QBSMUQRKEPEYSB-CYBMUJFWSA-N 1 0 234.347 0.914 10 0 BCAERO C[C@@H]1CN(C[C@H]2CCC[NH2+]C2)CC(=O)N1C ZINC000257772248 135141651 /nfs/dbraw/zinc/14/16/51/135141651.db2.gz DHENZZMZMSLJCS-MNOVXSKESA-N 1 0 225.336 0.149 10 0 BCAERO C[C@@H]1C(=O)NCCCN1C[C@@H]1CCC[NH2+]C1 ZINC000257769644 135142033 /nfs/dbraw/zinc/14/20/33/135142033.db2.gz BSBIAULVXDYXNV-GHMZBOCLSA-N 1 0 225.336 0.196 10 0 BCAERO CC(C)[C@@H](O)CN1CCn2ccnc2C1 ZINC000087538652 135152122 /nfs/dbraw/zinc/15/21/22/135152122.db2.gz NUOQCAADAHLNPH-JTQLQIEISA-N 1 0 209.293 0.716 10 0 BCAERO C[NH2+][C@@H](C)CNC(=O)[C@H]1CSCCS1 ZINC000261528120 135153020 /nfs/dbraw/zinc/15/30/20/135153020.db2.gz JHBRMJOHYBLHFY-JGVFFNPUSA-N 1 0 234.390 0.559 10 0 BCAERO CC(C)OCCC(=O)N(C)C1C[NH2+]C1 ZINC000261528956 135155273 /nfs/dbraw/zinc/15/52/73/135155273.db2.gz XWASUEKFNIAJLE-UHFFFAOYSA-N 1 0 200.282 0.232 10 0 BCAERO CC[C@@H](OC)C(=O)N1CCC[C@H]1C[NH3+] ZINC000261530050 135157269 /nfs/dbraw/zinc/15/72/69/135157269.db2.gz BTVXELJYNXLXRD-DTWKUNHWSA-N 1 0 200.282 0.361 10 0 BCAERO CCN(CC)C(=O)CN1C[C@H](C)[C@H]([NH3+])C1 ZINC000261530976 135158995 /nfs/dbraw/zinc/15/89/95/135158995.db2.gz DTEQFCYRBUCLOS-VHSXEESVSA-N 1 0 213.325 0.134 10 0 BCAERO CCn1cc(CN2C[C@H](C)[C@H]([NH3+])C2)cn1 ZINC000261531397 135159923 /nfs/dbraw/zinc/15/99/23/135159923.db2.gz GHZJTRQZGWMFEO-GXSJLCMTSA-N 1 0 208.309 0.682 10 0 BCAERO O=C(NC[C@@H]1CC[NH2+]C1)[C@H]1CCCS1 ZINC000087654735 135161872 /nfs/dbraw/zinc/16/18/72/135161872.db2.gz NETCVGIFOGDXHM-RKDXNWHRSA-N 1 0 214.334 0.608 10 0 BCAERO Cc1cnn(CCN2C[C@@H](C)[C@@H]([NH3+])C2)c1 ZINC000261531964 135161979 /nfs/dbraw/zinc/16/19/79/135161979.db2.gz INLKACOPJAKYSU-MNOVXSKESA-N 1 0 208.309 0.471 10 0 BCAERO O=S(=O)(NC[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000087655156 135161968 /nfs/dbraw/zinc/16/19/68/135161968.db2.gz FEJBRIRRQVPZNX-JTQLQIEISA-N 1 0 240.328 0.574 10 0 BCAERO CSCCC(=O)NC[C@H]1CC[NH2+]C1 ZINC000087654670 135161976 /nfs/dbraw/zinc/16/19/76/135161976.db2.gz XEOFNRBGFQDQNO-QMMMGPOBSA-N 1 0 202.323 0.465 10 0 BCAERO Cc1cnn(CCN2C[C@@H](C)[C@H]([NH3+])C2)c1 ZINC000261531963 135162163 /nfs/dbraw/zinc/16/21/63/135162163.db2.gz INLKACOPJAKYSU-GHMZBOCLSA-N 1 0 208.309 0.471 10 0 BCAERO O=C(NC[C@@H]1CCCS1)[C@H]1CCC[NH2+]C1 ZINC000087668566 135163162 /nfs/dbraw/zinc/16/31/62/135163162.db2.gz SAGYBOKWELEENH-UWVGGRQHSA-N 1 0 228.361 0.998 10 0 BCAERO O=C(NC[C@H]1CCCS1)C1C[NH2+]C1 ZINC000087668713 135163433 /nfs/dbraw/zinc/16/34/33/135163433.db2.gz NZCPTDPUPIWKCL-MRVPVSSYSA-N 1 0 200.307 0.218 10 0 BCAERO CC(C)CNC(=O)[C@H](C)N1C[C@H](C)[C@H]([NH3+])C1 ZINC000261533014 135164204 /nfs/dbraw/zinc/16/42/04/135164204.db2.gz FVSSOUIHYGLAKM-GARJFASQSA-N 1 0 227.352 0.426 10 0 BCAERO C[C@H]1CCN(Cc2ccnn2C)[C@H](C[NH3+])C1 ZINC000261533343 135165034 /nfs/dbraw/zinc/16/50/34/135165034.db2.gz GVAACYOUZXOFFU-JQWIXIFHSA-N 1 0 222.336 0.979 10 0 BCAERO COc1cc(N2CC[C@@H]([NH3+])[C@@H]2C)ncn1 ZINC000261534125 135165469 /nfs/dbraw/zinc/16/54/69/135165469.db2.gz LTIWSFCUXNTKQC-JGVFFNPUSA-N 1 0 208.265 0.411 10 0 BCAERO Cc1nccn1C[C@H]1CCCN1CC[NH3+] ZINC000261534045 135165513 /nfs/dbraw/zinc/16/55/13/135165513.db2.gz LPVBIQNMUXZGCC-LLVKDONJSA-N 1 0 208.309 0.615 10 0 BCAERO CC(C)NS(=O)(=O)N1CC[C@H](C)C[C@H]1C[NH3+] ZINC000261534187 135166910 /nfs/dbraw/zinc/16/69/10/135166910.db2.gz OILHEAPASFGRHE-UWVGGRQHSA-N 1 0 249.380 0.288 10 0 BCAERO COc1ncc(Cl)c(N2C[C@H](C)[C@H]([NH3+])C2)n1 ZINC000261534478 135167243 /nfs/dbraw/zinc/16/72/43/135167243.db2.gz QZWHOSMIZROIGW-POYBYMJQSA-N 1 0 242.710 0.922 10 0 BCAERO C[C@@H]1CN(C[C@@H]2CCC[NH2+]C2)C[C@H](CO)O1 ZINC000261535196 135168735 /nfs/dbraw/zinc/16/87/35/135168735.db2.gz WDTZJAAUROPZJX-IJLUTSLNSA-N 1 0 228.336 0.068 10 0 BCAERO CCc1ncnc(N2C[C@@H](C)[C@H]([NH3+])C2)c1F ZINC000261535287 135169481 /nfs/dbraw/zinc/16/94/81/135169481.db2.gz XWQPLOXQAOAWEM-HTQZYQBOSA-N 1 0 224.283 0.962 10 0 BCAERO C[NH2+][C@H](C)CNC(=O)c1cc(C)n(C)n1 ZINC000261535646 135170945 /nfs/dbraw/zinc/17/09/45/135170945.db2.gz OXDIWEKODCPTDD-SSDOTTSWSA-N 1 0 210.281 0.066 10 0 BCAERO C[C@H]1[NH2+]CCC[C@H]1C(=O)N[C@@H]1CCOC1 ZINC000087787033 135171744 /nfs/dbraw/zinc/17/17/44/135171744.db2.gz OFNCYEFFHPXCIP-OPRDCNLKSA-N 1 0 212.293 0.280 10 0 BCAERO Cc1cnn(CCN2CCC[C@@H]2C[NH3+])c1 ZINC000261536507 135172446 /nfs/dbraw/zinc/17/24/46/135172446.db2.gz RZKMPGKZPVGRQA-LLVKDONJSA-N 1 0 208.309 0.615 10 0 BCAERO COc1ncc(Cl)c(N(C)[C@H]2CC[NH2+]C2)n1 ZINC000087799177 135172898 /nfs/dbraw/zinc/17/28/98/135172898.db2.gz MHUGAFSEKICWST-ZETCQYMHSA-N 1 0 242.710 0.937 10 0 BCAERO COC[C@@H](C)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000261537000 135173379 /nfs/dbraw/zinc/17/33/79/135173379.db2.gz UMVSUHOZAVWFIU-SECBINFHSA-N 1 0 214.309 0.479 10 0 BCAERO CCO[C@H]1C[C@@H]1C(=O)NC(C)(C)C[NH3+] ZINC000261537133 135173410 /nfs/dbraw/zinc/17/34/10/135173410.db2.gz UYMZUQIBZFVPLS-YUMQZZPRSA-N 1 0 200.282 0.265 10 0 BCAERO Cc1nc([C@H](C)NC(=O)[C@H](C)[NH3+])cs1 ZINC000261537031 135173456 /nfs/dbraw/zinc/17/34/56/135173456.db2.gz UPNMJAYISJXZQZ-WDSKDSINSA-N 1 0 213.306 0.976 10 0 BCAERO CC[C@H](C)NC(=O)CN1C[C@H](C)[C@H]([NH3+])C1 ZINC000261537353 135173883 /nfs/dbraw/zinc/17/38/83/135173883.db2.gz VIYOUSAVWKCZBT-LPEHRKFASA-N 1 0 213.325 0.180 10 0 BCAERO CCN(C)C(=O)[C@@H]([NH3+])C1CCOCC1 ZINC000261537958 135174612 /nfs/dbraw/zinc/17/46/12/135174612.db2.gz WVXZBDIIWVWDSH-VIFPVBQESA-N 1 0 200.282 0.219 10 0 BCAERO C[C@H]1CN(S(=O)(=O)CC(C)(C)C)C[C@H]1[NH3+] ZINC000261537660 135175016 /nfs/dbraw/zinc/17/50/16/135175016.db2.gz WAXSUPNNJQLYRU-DTWKUNHWSA-N 1 0 234.365 0.641 10 0 BCAERO C[C@H]1[C@H]([NH3+])CCN1S(=O)(=O)CC(C)(C)C ZINC000261538269 135175396 /nfs/dbraw/zinc/17/53/96/135175396.db2.gz XPJJUCDCCYCEJD-DTWKUNHWSA-N 1 0 234.365 0.784 10 0 BCAERO COCC(C)(C)CN1C[C@H]([NH3+])[C@@H](C)C1 ZINC000261538495 135176695 /nfs/dbraw/zinc/17/66/95/135176695.db2.gz YHFLVAQUMTWXSK-UWVGGRQHSA-N 1 0 200.326 0.938 10 0 BCAERO [NH3+][C@@H]1CC[C@H]2CN(Cc3csnn3)C[C@H]12 ZINC000261538948 135177044 /nfs/dbraw/zinc/17/70/44/135177044.db2.gz ZYAOPKLCYNTOES-UJNFCWOMSA-N 1 0 224.333 0.707 10 0 BCAERO CCO[C@H]1C[C@@H]1C(=O)NC1CC[NH2+]CC1 ZINC000261539055 135177441 /nfs/dbraw/zinc/17/74/41/135177441.db2.gz BLDAKDHBMXOTPV-UWVGGRQHSA-N 1 0 212.293 0.280 10 0 BCAERO CC[NH2+][C@H](C)CNC(=O)[C@@H]1C[C@H]1OCC ZINC000261539846 135178446 /nfs/dbraw/zinc/17/84/46/135178446.db2.gz DFQKQJZLPNUELV-OPRDCNLKSA-N 1 0 214.309 0.526 10 0 BCAERO C[C@@H]1CCC[C@@H](CNC(=O)[C@H](N)CC(N)=O)C1 ZINC000261539748 135178864 /nfs/dbraw/zinc/17/88/64/135178864.db2.gz BJLHFVHBFWRVHF-OPRDCNLKSA-N 1 0 241.335 0.132 10 0 BCAERO Cc1[nH]ccc1C(=O)NC[C@@H]1CC[NH2+]C1 ZINC000261540862 135179783 /nfs/dbraw/zinc/17/97/83/135179783.db2.gz FJZABSIMIXUZIE-SECBINFHSA-N 1 0 207.277 0.662 10 0 BCAERO Cc1ncsc1CNC[C@H]1C[NH2+]C[C@@H]1O ZINC000261542021 135182646 /nfs/dbraw/zinc/18/26/46/135182646.db2.gz GIPDUDMBNQMOMM-BDAKNGLRSA-N 1 0 227.333 0.121 10 0 BCAERO COC(=O)[C@@H](C)N(C)C[C@]1(C)CC[NH2+]C1 ZINC000261542069 135182772 /nfs/dbraw/zinc/18/27/72/135182772.db2.gz GLXBNXJRZPXXGD-MWLCHTKSSA-N 1 0 214.309 0.479 10 0 BCAERO CC(C)[NH+]1CCN(Cc2noc(CN)n2)CC1 ZINC000261542807 135183440 /nfs/dbraw/zinc/18/34/40/135183440.db2.gz QBGYBOWPCZILPE-UHFFFAOYSA-N 1 0 239.323 0.054 10 0 BCAERO C[C@H]1CN(CC(=O)Nc2ccccc2)C[C@H]1[NH3+] ZINC000261543231 135183928 /nfs/dbraw/zinc/18/39/28/135183928.db2.gz RWMIAYFNOQDWBI-CMPLNLGQSA-N 1 0 233.315 0.904 10 0 BCAERO Cc1cc2c(N3C[C@@H](C)[C@H]([NH3+])C3)nccn2n1 ZINC000261543868 135184741 /nfs/dbraw/zinc/18/47/41/135184741.db2.gz WHFMXTAJJKAXOG-PSASIEDQSA-N 1 0 231.303 0.821 10 0 BCAERO Cc1cc2c(N3CC[C@@H]([NH3+])[C@H]3C)nccn2n1 ZINC000261543660 135185008 /nfs/dbraw/zinc/18/50/08/135185008.db2.gz DDUGNFYFVFXUJK-NXEZZACHSA-N 1 0 231.303 0.964 10 0 BCAERO CC(C)N(C)C(=O)CN1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261544925 135186225 /nfs/dbraw/zinc/18/62/25/135186225.db2.gz FGOSGMUZAFPQLW-NEPJUHHUSA-N 1 0 239.363 0.395 10 0 BCAERO CCCC[C@H](COC)NC(=O)C1C[NH2+]C1 ZINC000261548391 135186946 /nfs/dbraw/zinc/18/69/46/135186946.db2.gz NQQIOYYRPAXDHO-SNVBAGLBSA-N 1 0 214.309 0.527 10 0 BCAERO CN(C(=O)CN1CC[C@@H]([NH3+])C(C)(C)C1)C1CC1 ZINC000261548527 135187112 /nfs/dbraw/zinc/18/71/12/135187112.db2.gz JMVNIKUZFPRYRL-LLVKDONJSA-N 1 0 239.363 0.666 10 0 BCAERO C[C@@H]1[C@H]([NH3+])CCN1CC(=O)N1CCCC[C@H]1C ZINC000261548915 135187925 /nfs/dbraw/zinc/18/79/25/135187925.db2.gz JZDFKKGZJAXKIF-IJLUTSLNSA-N 1 0 239.363 0.809 10 0 BCAERO COc1cc(N2CC[C@@H]3[NH2+]CC[C@@H]3C2)ncn1 ZINC000261549553 135188723 /nfs/dbraw/zinc/18/87/23/135188723.db2.gz KPGPBLMKZJBOKJ-ZJUUUORDSA-N 1 0 234.303 0.673 10 0 BCAERO C[C@@H]1CCN(c2ccc(C(N)=O)cn2)[C@H](C[NH3+])C1 ZINC000261550725 135189372 /nfs/dbraw/zinc/18/93/72/135189372.db2.gz PFJAGNMCVQPKIH-KOLCDFICSA-N 1 0 248.330 0.744 10 0 BCAERO C[C@@H]1CN(C)CCN1C(=O)CC[C@H]1CCC[NH2+]1 ZINC000261551258 135190479 /nfs/dbraw/zinc/19/04/79/135190479.db2.gz LXWDYMKWDRRRIU-VXGBXAGGSA-N 1 0 239.363 0.681 10 0 BCAERO Cc1c(CN2CC[NH2+]C(C)(C)C2)cnn1C ZINC000261552385 135191437 /nfs/dbraw/zinc/19/14/37/135191437.db2.gz RGZUGDLAWGSAFD-UHFFFAOYSA-N 1 0 222.336 0.912 10 0 BCAERO COC[C@H](C)C(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000261553168 135191750 /nfs/dbraw/zinc/19/17/50/135191750.db2.gz SFKRZQHEBCBULM-GUBZILKMSA-N 1 0 214.309 0.526 10 0 BCAERO CC(C)(C)CC(=O)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000261552848 135191867 /nfs/dbraw/zinc/19/18/67/135191867.db2.gz RXQJZODLKMDPME-IUCAKERBSA-N 1 0 214.309 0.119 10 0 BCAERO CSCCC(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000084212542 135192336 /nfs/dbraw/zinc/19/23/36/135192336.db2.gz XBOITHCDHJBISM-IUCAKERBSA-N 1 0 216.350 0.983 10 0 BCAERO O=C(NC[C@H]1CCC[C@@H]1O)[C@@H]1CCC[NH2+]C1 ZINC000084238710 135194282 /nfs/dbraw/zinc/19/42/82/135194282.db2.gz UINJUUSYXCBGQT-MXWKQRLJSA-N 1 0 226.320 0.263 10 0 BCAERO Cn1cc(C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cn1 ZINC000261554557 135194307 /nfs/dbraw/zinc/19/43/07/135194307.db2.gz OYNMPXOXUWYEOZ-LSJOCFKGSA-N 1 0 234.303 0.229 10 0 BCAERO CC(C)(C)[C@H]([NH3+])C(=O)NC[C@H]1CCC[C@@H]1O ZINC000084238388 135194494 /nfs/dbraw/zinc/19/44/94/135194494.db2.gz OMXLCVOJTCUMIA-KXUCPTDWSA-N 1 0 228.336 0.637 10 0 BCAERO CC[C@H]([NH3+])C(=O)NC[C@@H]1CCC[C@@H]1O ZINC000084238554 135194613 /nfs/dbraw/zinc/19/46/13/135194613.db2.gz SBQWUZWWROOMJC-CIUDSAMLSA-N 1 0 200.282 0.001 10 0 BCAERO CC(C)([NH3+])C(=O)NC[C@@H]1CCC[C@@H]1O ZINC000084238485 135194621 /nfs/dbraw/zinc/19/46/21/135194621.db2.gz MGLQGCGPNVBZDD-YUMQZZPRSA-N 1 0 200.282 0.001 10 0 BCAERO COC[C@]1(C(=O)N[C@@H](C)CC2CC2)CC[NH2+]C1 ZINC000261556136 135196132 /nfs/dbraw/zinc/19/61/32/135196132.db2.gz QJKNGKOYIIHJEV-GWCFXTLKSA-N 1 0 240.347 0.917 10 0 BCAERO OC[C@@H]1C[C@@H](F)CN1C[C@@H]1CCC[NH2+]C1 ZINC000261556563 135197147 /nfs/dbraw/zinc/19/71/47/135197147.db2.gz WCGJPBDKLJHWPE-MXWKQRLJSA-N 1 0 216.300 0.391 10 0 BCAERO Cn1cnc(C(=O)N2CC[C@@H]([NH3+])C(C)(C)C2)c1 ZINC000261557417 135197567 /nfs/dbraw/zinc/19/75/67/135197567.db2.gz RPEKCRIIEONSNH-SNVBAGLBSA-N 1 0 236.319 0.620 10 0 BCAERO C[NH2+]C1CCN(C(=O)[C@H](C)COC)CC1 ZINC000261559002 135199604 /nfs/dbraw/zinc/19/96/04/135199604.db2.gz YSVXORWBXZTIFI-SECBINFHSA-N 1 0 214.309 0.479 10 0 BCAERO C[C@@H]([NH3+])CC(=O)N1CCC[C@H]1c1cnn(C)c1 ZINC000261560449 135201370 /nfs/dbraw/zinc/20/13/70/135201370.db2.gz UPVRKDBBOYXQJE-KOLCDFICSA-N 1 0 236.319 0.821 10 0 BCAERO CO[C@@H]1[C@H](C)[C@@H](NC(=O)[C@@H](C)[NH3+])C1(C)C ZINC000261561502 135202953 /nfs/dbraw/zinc/20/29/53/135202953.db2.gz AQDAAXVGQYGTDT-FNCVBFRFSA-N 1 0 214.309 0.509 10 0 BCAERO C[C@@H]1COCCN1C(=O)CC[C@@H]1CCC[NH2+]1 ZINC000261562431 135204322 /nfs/dbraw/zinc/20/43/22/135204322.db2.gz BHFTZDBMQVJTSX-MNOVXSKESA-N 1 0 226.320 0.766 10 0 BCAERO CC1(C)CN(C(=O)c2cc[nH]n2)CC[C@@H]1[NH3+] ZINC000261562680 135204729 /nfs/dbraw/zinc/20/47/29/135204729.db2.gz BMUKBWITLFWLQS-VIFPVBQESA-N 1 0 222.292 0.609 10 0 BCAERO Cc1nn(C)cc1C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261563443 135204931 /nfs/dbraw/zinc/20/49/31/135204931.db2.gz GWJVESPKJBGHSC-QWRGUYRKSA-N 1 0 248.330 0.410 10 0 BCAERO O=C(CC[C@@H]1CCC[NH2+]1)NC[C@@H]1CCC[C@H]1O ZINC000261563757 135205618 /nfs/dbraw/zinc/20/56/18/135205618.db2.gz XJBGCFWBBNJYGF-SDDRHHMPSA-N 1 0 240.347 0.796 10 0 BCAERO C[C@@H](C[NH3+])C(=O)N1CCC[C@@H]1c1cnn(C)c1 ZINC000261565050 135206968 /nfs/dbraw/zinc/20/69/68/135206968.db2.gz YCKKXUMUBZFRMC-GXSJLCMTSA-N 1 0 236.319 0.678 10 0 BCAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)N[C@@H]1CCCOC1 ZINC000084310922 135207344 /nfs/dbraw/zinc/20/73/44/135207344.db2.gz OAVFCYJZJDWYQP-GMTAPVOTSA-N 1 0 226.320 0.657 10 0 BCAERO Cc1cnc(C(=O)N2CC[C@H]([NH3+])C(C)(C)C2)cn1 ZINC000261566944 135208663 /nfs/dbraw/zinc/20/86/63/135208663.db2.gz IITFYSOVOBDWEQ-NSHDSACASA-N 1 0 248.330 0.984 10 0 BCAERO Cc1c(C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cnn1C ZINC000261566507 135208757 /nfs/dbraw/zinc/20/87/57/135208757.db2.gz IFFYCSGNIGZOOB-ZMLRMANQSA-N 1 0 248.330 0.538 10 0 BCAERO C[C@@H]1CN(S(=O)(=O)c2ccco2)C[C@@H]1[NH3+] ZINC000261566874 135208785 /nfs/dbraw/zinc/20/87/85/135208785.db2.gz DRKBWWGWQLXZHS-SFYZADRCSA-N 1 0 230.289 0.247 10 0 BCAERO C[C@@H](C(=O)NC[C@H](O)c1ccccc1)C1C[NH2+]C1 ZINC000163878884 135209445 /nfs/dbraw/zinc/20/94/45/135209445.db2.gz HRYFHHQBEKLZNQ-MFKMUULPSA-N 1 0 248.326 0.692 10 0 BCAERO C[C@@H]1CCN(c2ncnc3nc[nH]c32)C[C@@H]1C[NH3+] ZINC000163990664 135209906 /nfs/dbraw/zinc/20/99/06/135209906.db2.gz GZYWSCVAKQPVPE-BDAKNGLRSA-N 1 0 246.318 0.774 10 0 BCAERO Cn1nccc1CN1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261568931 135211681 /nfs/dbraw/zinc/21/16/81/135211681.db2.gz FZPPJRLUDJPIAU-MVWJERBFSA-N 1 0 220.320 0.589 10 0 BCAERO CCCN(C)C(=O)[C@@H]([NH3+])C1CCOCC1 ZINC000261569755 135212187 /nfs/dbraw/zinc/21/21/87/135212187.db2.gz GNZOMWPWPLVMKO-JTQLQIEISA-N 1 0 214.309 0.609 10 0 BCAERO CCCN(C)C(=O)[C@H]([NH3+])C1CCOCC1 ZINC000261569756 135212395 /nfs/dbraw/zinc/21/23/95/135212395.db2.gz GNZOMWPWPLVMKO-SNVBAGLBSA-N 1 0 214.309 0.609 10 0 BCAERO C[C@H](NC(=O)C[NH2+]C[C@@H]1CCCO1)C1CC1 ZINC000261570421 135212471 /nfs/dbraw/zinc/21/24/71/135212471.db2.gz GXPYNODPAWBBAE-ONGXEEELSA-N 1 0 226.320 0.670 10 0 BCAERO [NH3+][C@H](C(=O)NCC(F)F)C1CCOCC1 ZINC000261571056 135212802 /nfs/dbraw/zinc/21/28/02/135212802.db2.gz HJCDIELRXSCZSZ-QMMMGPOBSA-N 1 0 222.235 0.122 10 0 BCAERO Cn1ccnc1CN1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261573364 135214475 /nfs/dbraw/zinc/21/44/75/135214475.db2.gz IRWWEWJGNOEXGA-GARJFASQSA-N 1 0 220.320 0.589 10 0 BCAERO O=C(NC[C@H]1CSCCS1)C1C[NH2+]C1 ZINC000164148129 135214965 /nfs/dbraw/zinc/21/49/65/135214965.db2.gz HIFRZNUMTOTUSL-QMMMGPOBSA-N 1 0 232.374 0.171 10 0 BCAERO O=C(C[C@@H]1CC[NH2+]C1)NC[C@H]1CCC[C@H]1O ZINC000084384386 135215469 /nfs/dbraw/zinc/21/54/69/135215469.db2.gz QOLAQUTWPCLNNS-HBNTYKKESA-N 1 0 226.320 0.263 10 0 BCAERO C[C@H](NC(=O)C[C@@H]1CC[NH2+]C1)[C@@H]1CCCO1 ZINC000084381985 135215638 /nfs/dbraw/zinc/21/56/38/135215638.db2.gz CXVTZWMBWAAXEV-DCAQKATOSA-N 1 0 226.320 0.670 10 0 BCAERO C(c1nc([C@@H]2CCOC2)no1)[C@H]1CC[NH2+]C1 ZINC000084380394 135215677 /nfs/dbraw/zinc/21/56/77/135215677.db2.gz OAKJEOZHLVMSQC-RKDXNWHRSA-N 1 0 223.276 0.726 10 0 BCAERO OC1(C2CC2)C[NH+](CC2CCOCC2)C1 ZINC000084377216 135215766 /nfs/dbraw/zinc/21/57/66/135215766.db2.gz GGCCICRZHIOHLR-UHFFFAOYSA-N 1 0 211.305 0.870 10 0 BCAERO C[C@@H]1[C@H]([NH3+])CCN1S(=O)(=O)CCC1CCC1 ZINC000261574212 135215918 /nfs/dbraw/zinc/21/59/18/135215918.db2.gz JEVHTDLSKSOCFH-MWLCHTKSSA-N 1 0 246.376 0.928 10 0 BCAERO CC(C)c1nc2c(n1C)CCN(CC[NH3+])C2 ZINC000261573438 135215967 /nfs/dbraw/zinc/21/59/67/135215967.db2.gz IUUNXCBJQPEYIZ-UHFFFAOYSA-N 1 0 222.336 0.860 10 0 BCAERO O=C(CC[C@H]1CCC[NH2+]1)NC[C@H]1CCOC1 ZINC000261576915 135218304 /nfs/dbraw/zinc/21/83/04/135218304.db2.gz KRGFDLLNXDYCPF-GHMZBOCLSA-N 1 0 226.320 0.671 10 0 BCAERO CC(C)[C@H]1OCC[C@@H]1CNC(=O)CC[NH3+] ZINC000261580086 135221008 /nfs/dbraw/zinc/22/10/08/135221008.db2.gz MQPFKQUZJSBXDN-MWLCHTKSSA-N 1 0 214.309 0.513 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N(C)[C@H](C)C1(C)CC1 ZINC000261580055 135221019 /nfs/dbraw/zinc/22/10/19/135221019.db2.gz MQDFSNZYAMUQQI-RKDXNWHRSA-N 1 0 214.309 0.607 10 0 BCAERO CCCNC(=O)CN1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261581221 135221796 /nfs/dbraw/zinc/22/17/96/135221796.db2.gz NJVYPVWISAVCBG-SNVBAGLBSA-N 1 0 227.352 0.572 10 0 BCAERO C[C@@H]([NH3+])CN1CCC(n2cncn2)CC1 ZINC000261582519 135223082 /nfs/dbraw/zinc/22/30/82/135223082.db2.gz OKBMKBPMPBVJFU-SECBINFHSA-N 1 0 209.297 0.262 10 0 BCAERO Cc1cnc(N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)nc1 ZINC000261582761 135223476 /nfs/dbraw/zinc/22/34/76/135223476.db2.gz OQONBVKSSHMVRJ-AXFHLTTASA-N 1 0 218.304 0.959 10 0 BCAERO C[C@@H]1OCC[C@@H]1NC(=O)CC[C@H]1CCC[NH2+]1 ZINC000261583885 135225010 /nfs/dbraw/zinc/22/50/10/135225010.db2.gz PIYJSMYOEDZVTN-AXFHLTTASA-N 1 0 226.320 0.812 10 0 BCAERO [NH3+][C@@H]1CC[C@H]2CN(C(=O)NC3CCC3)C[C@@H]12 ZINC000261583866 135225437 /nfs/dbraw/zinc/22/54/37/135225437.db2.gz PHQFXXNNKLBBCD-JMJZKYOTSA-N 1 0 223.320 0.918 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N1C[C@H](C)CC1(C)C ZINC000261586492 135227497 /nfs/dbraw/zinc/22/74/97/135227497.db2.gz RCTKAPXNTNAGFP-RKDXNWHRSA-N 1 0 214.309 0.607 10 0 BCAERO Cc1ccc(C(=O)N2CC[C@@H]([NH3+])[C@@H]2C)n1C ZINC000261586662 135227694 /nfs/dbraw/zinc/22/76/94/135227694.db2.gz RHEXNTUVJJOLBJ-VHSXEESVSA-N 1 0 221.304 0.895 10 0 BCAERO Cc1noc(CN2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)n1 ZINC000261591140 135231878 /nfs/dbraw/zinc/23/18/78/135231878.db2.gz VCABHQFCMPJOLT-GUBZILKMSA-N 1 0 222.292 0.547 10 0 BCAERO [NH3+][C@@H](C(=O)NCC1CC1)C1CCOCC1 ZINC000261592070 135232460 /nfs/dbraw/zinc/23/24/60/135232460.db2.gz VSWGUMSOEXOFMB-SNVBAGLBSA-N 1 0 212.293 0.267 10 0 BCAERO Cc1cc(N2CC[C@H]3[NH2+]CC[C@H]3C2)ncn1 ZINC000261591980 135232944 /nfs/dbraw/zinc/23/29/44/135232944.db2.gz VPRIEWJEJYXFAQ-WDEREUQCSA-N 1 0 218.304 0.973 10 0 BCAERO COC[C@]1(C(=O)N[C@@H](C)C2CC2)CC[NH2+]C1 ZINC000261595259 135234830 /nfs/dbraw/zinc/23/48/30/135234830.db2.gz YABXQVIXLFZWMI-CABZTGNLSA-N 1 0 226.320 0.527 10 0 BCAERO CC1(C)CN(C(=O)c2ccon2)CC[C@@H]1[NH3+] ZINC000261595481 135235803 /nfs/dbraw/zinc/23/58/03/135235803.db2.gz YFTZYQIDDZSQOT-VIFPVBQESA-N 1 0 223.276 0.874 10 0 BCAERO Cc1nccnc1N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261596433 135235974 /nfs/dbraw/zinc/23/59/74/135235974.db2.gz YVUWJTSKPPVPGS-WDEREUQCSA-N 1 0 218.304 0.973 10 0 BCAERO Cc1nccnc1N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261596431 135236195 /nfs/dbraw/zinc/23/61/95/135236195.db2.gz YVUWJTSKPPVPGS-QWRGUYRKSA-N 1 0 218.304 0.973 10 0 BCAERO CC[C@H]([NH3+])C(=O)N[C@H]1CCCC[C@H]1OC ZINC000261597458 135236599 /nfs/dbraw/zinc/23/65/99/135236599.db2.gz ZBPJUZRDAFKWKA-LPEHRKFASA-N 1 0 214.309 0.798 10 0 BCAERO CN(CC[NH3+])c1ccc(S(C)(=O)=O)cc1F ZINC000261599646 135237462 /nfs/dbraw/zinc/23/74/62/135237462.db2.gz ZUPGKIUPZRHAQU-UHFFFAOYSA-N 1 0 246.307 0.624 10 0 BCAERO C[C@H]1CN(C(=O)[C@H]2CC[NH2+]C2)C[C@H](C)O1 ZINC000261546382 135238138 /nfs/dbraw/zinc/23/81/38/135238138.db2.gz KZEQQPAYKLWKMN-GUBZILKMSA-N 1 0 212.293 0.232 10 0 BCAERO CN(C[C@H]1CCOC1)C(=O)[C@H]1CC[NH2+]C1 ZINC000261546046 135238285 /nfs/dbraw/zinc/23/82/85/135238285.db2.gz KQDUUWVCQTVGOM-ZJUUUORDSA-N 1 0 212.293 0.091 10 0 BCAERO COC[C@]1(CNc2ncc(C)cn2)CCC[NH2+]1 ZINC000261545976 135238520 /nfs/dbraw/zinc/23/85/20/135238520.db2.gz GNBKFXPGXSBXLG-GFCCVEGCSA-N 1 0 236.319 0.966 10 0 BCAERO CNc1ccc(C(=O)N(C)C2C[NH2+]C2)s1 ZINC000261547137 135240083 /nfs/dbraw/zinc/24/00/83/135240083.db2.gz LXGUSNBYCUXHBI-UHFFFAOYSA-N 1 0 225.317 0.834 10 0 BCAERO C[C@@H]1C[C@@H]1NC(=O)[C@H]([NH3+])C1CCOCC1 ZINC000261547997 135241156 /nfs/dbraw/zinc/24/11/56/135241156.db2.gz MZPJBZRIIZPRNJ-FKTZTGRPSA-N 1 0 212.293 0.265 10 0 BCAERO COC[C@@H](C)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000261642967 135242925 /nfs/dbraw/zinc/24/29/25/135242925.db2.gz AWGRBWFAVYSUDD-UTUOFQBUSA-N 1 0 240.347 0.727 10 0 BCAERO Cc1noc(-c2ncn([C@@H]3CCC[NH2+]C3)n2)n1 ZINC000261673217 135245131 /nfs/dbraw/zinc/24/51/31/135245131.db2.gz GZMQTDJFWQGROD-MRVPVSSYSA-N 1 0 234.263 0.561 10 0 BCAERO O=C([C@H]1CCC[NH2+]1)N1CCC[C@H](c2nc[nH]n2)C1 ZINC000261672055 135245225 /nfs/dbraw/zinc/24/52/25/135245225.db2.gz JGOYSKWQNKETIX-VHSXEESVSA-N 1 0 249.318 0.263 10 0 BCAERO C[C@@H]([NH3+])CC(=O)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000261701968 135246537 /nfs/dbraw/zinc/24/65/37/135246537.db2.gz CSLGHFLETVGIJZ-NXEZZACHSA-N 1 0 236.319 0.473 10 0 BCAERO C[C@H]1[NH2+]CCC[C@@H]1NS(=O)(=O)c1ccco1 ZINC000261696998 135246803 /nfs/dbraw/zinc/24/68/03/135246803.db2.gz NPPLLEUZRWRIJO-BDAKNGLRSA-N 1 0 244.316 0.698 10 0 BCAERO Cc1ncsc1CNC(=O)C1C[NH2+]C1 ZINC000084412109 135247885 /nfs/dbraw/zinc/24/78/85/135247885.db2.gz VSNLGWUBLDKPPR-UHFFFAOYSA-N 1 0 211.290 0.287 10 0 BCAERO CNC(=O)[C@H]1CCCN1C[C@@]1(C)CC[NH2+]C1 ZINC000261746155 135249086 /nfs/dbraw/zinc/24/90/86/135249086.db2.gz JCGRVUJUUQGFAZ-PWSUYJOCSA-N 1 0 225.336 0.196 10 0 BCAERO O=C(NCCc1nccs1)C1C[NH2+]C1 ZINC000084412081 135249365 /nfs/dbraw/zinc/24/93/65/135249365.db2.gz UULJNUOWYUZBEJ-UHFFFAOYSA-N 1 0 211.290 0.021 10 0 BCAERO C[C@H](CO)[N@@H+]1CCCN(CC(C)(C)[NH3+])CC1 ZINC000261747454 135249980 /nfs/dbraw/zinc/24/99/80/135249980.db2.gz BXBKUCDDRRBTNY-LLVKDONJSA-N 1 0 229.368 0.112 10 0 BCAERO C[C@@H]1OCC[C@@H]1NC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000261748128 135249983 /nfs/dbraw/zinc/24/99/83/135249983.db2.gz IVEQJHTZBDCYEC-MMWGEVLESA-N 1 0 226.320 0.798 10 0 BCAERO CC(=O)N[C@@H]1CCCN(C[C@@]2(C)CC[NH2+]C2)C1 ZINC000261751280 135250149 /nfs/dbraw/zinc/25/01/49/135250149.db2.gz JVAAAVQUASTHNP-OLZOCXBDSA-N 1 0 239.363 0.587 10 0 BCAERO COC(=O)[C@@H](C)CNC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261746902 135250161 /nfs/dbraw/zinc/25/01/61/135250161.db2.gz MIUHAQXGTIEVOM-IVZWLZJFSA-N 1 0 242.319 0.287 10 0 BCAERO CSC[C@H](C)NC(=O)[C@@H]([NH3+])C1CCOCC1 ZINC000261758007 135251068 /nfs/dbraw/zinc/25/10/68/135251068.db2.gz LOGKOKIDYSNBMH-WPRPVWTQSA-N 1 0 246.376 0.608 10 0 BCAERO C[NH2+][C@@H](C)CNC(=O)CCc1cnn(C)c1 ZINC000261781262 135252390 /nfs/dbraw/zinc/25/23/90/135252390.db2.gz QBJXSWPCNOOWJK-VIFPVBQESA-N 1 0 224.308 0.077 10 0 BCAERO Cn1ccs/c1=N\C(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000261786547 135252528 /nfs/dbraw/zinc/25/25/28/135252528.db2.gz NFXPRXZKHFUKIH-YDHDDKBESA-N 1 0 241.316 0.020 10 0 BCAERO COC[C@@H](C)C(=O)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261792391 135253368 /nfs/dbraw/zinc/25/33/68/135253368.db2.gz IGFIXGKNIQWSFK-NXEZZACHSA-N 1 0 228.336 0.855 10 0 BCAERO COC[C@H](C)C(=O)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261792394 135253427 /nfs/dbraw/zinc/25/34/27/135253427.db2.gz IGFIXGKNIQWSFK-UWVGGRQHSA-N 1 0 228.336 0.855 10 0 BCAERO C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261805845 135254141 /nfs/dbraw/zinc/25/41/41/135254141.db2.gz MYZPKGSIKPQSKM-IRCOFANPSA-N 1 0 239.363 0.570 10 0 BCAERO C[C@@H]1OCC[C@@H]1NC(=O)[C@@H]([NH3+])C1CCOCC1 ZINC000261818345 135255622 /nfs/dbraw/zinc/25/56/22/135255622.db2.gz PGLHBSMQGYUUIQ-LSJOCFKGSA-N 1 0 242.319 0.034 10 0 BCAERO CC[N@H+](C)CCNC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000261845088 135257042 /nfs/dbraw/zinc/25/70/42/135257042.db2.gz VHMYIPGVDDAHLQ-WDEREUQCSA-N 1 0 227.352 0.572 10 0 BCAERO Cn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)N2CCCC2)cn1 ZINC000261855284 135257703 /nfs/dbraw/zinc/25/77/03/135257703.db2.gz BNSIBDISAVECFF-NEPJUHHUSA-N 1 0 248.330 0.346 10 0 BCAERO CCCC1(C(=O)NC[C@H]2C[NH2+]C[C@H]2O)CC1 ZINC000261900634 135261977 /nfs/dbraw/zinc/26/19/77/135261977.db2.gz AFANPYONVYAAQF-NXEZZACHSA-N 1 0 226.320 0.263 10 0 BCAERO C[C@H]([NH3+])CC(=O)NC[C@H](O)c1ccc(F)cc1 ZINC000261912796 135262664 /nfs/dbraw/zinc/26/26/64/135262664.db2.gz WRCJQGRGONMLCP-KWQFWETISA-N 1 0 240.278 0.713 10 0 BCAERO C[C@H]1CN(Cc2cnc(N(C)C)s2)C[C@H]1[NH3+] ZINC000261922335 135263273 /nfs/dbraw/zinc/26/32/73/135263273.db2.gz BTMHTNHMQPMZRZ-WCBMZHEXSA-N 1 0 240.376 0.988 10 0 BCAERO C[C@H]1CN(Cc2cnc(N(C)C)s2)C[C@@H]1[NH3+] ZINC000261922337 135263813 /nfs/dbraw/zinc/26/38/13/135263813.db2.gz BTMHTNHMQPMZRZ-WPRPVWTQSA-N 1 0 240.376 0.988 10 0 BCAERO [NH3+]C1(C(=O)N2CCC3(CCC3)C2)CCOCC1 ZINC000261951245 135265718 /nfs/dbraw/zinc/26/57/18/135265718.db2.gz YZHISPKHCRONGV-UHFFFAOYSA-N 1 0 238.331 0.897 10 0 BCAERO CC[C@@H](OC)C(=O)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261957042 135266399 /nfs/dbraw/zinc/26/63/99/135266399.db2.gz ZSEDYBLCDAKJLT-ZJUUUORDSA-N 1 0 228.336 0.997 10 0 BCAERO CCO[C@@H](C)C(=O)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000262026287 135273708 /nfs/dbraw/zinc/27/37/08/135273708.db2.gz PBLMSDVZAVTQEE-VHSXEESVSA-N 1 0 228.336 0.997 10 0 BCAERO CN(C)C(=O)CC(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000262029955 135274253 /nfs/dbraw/zinc/27/42/53/135274253.db2.gz BKVGRADNWASINO-JTQLQIEISA-N 1 0 241.335 0.052 10 0 BCAERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1cccc(F)c1 ZINC000262076870 135277601 /nfs/dbraw/zinc/27/76/01/135277601.db2.gz CDDADWFBCGLYLI-KOLCDFICSA-N 1 0 238.262 0.136 10 0 BCAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)[C@H]1Cc2ccccc21 ZINC000262084175 135277802 /nfs/dbraw/zinc/27/78/02/135277802.db2.gz COGDONYOZMVAMW-DRZSPHRISA-N 1 0 246.310 0.023 10 0 BCAERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)[C@@H]1Cc2ccccc21 ZINC000262084164 135278085 /nfs/dbraw/zinc/27/80/85/135278085.db2.gz COGDONYOZMVAMW-CYZMBNFOSA-N 1 0 246.310 0.023 10 0 BCAERO Cc1ccc(C)c(C(=O)NC[C@H]2C[NH2+]C[C@H]2O)c1 ZINC000262115510 135279299 /nfs/dbraw/zinc/27/92/99/135279299.db2.gz FPHDXFHHFSILCV-DGCLKSJQSA-N 1 0 248.326 0.614 10 0 BCAERO Cc1ccc(C(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)s1 ZINC000262112745 135279531 /nfs/dbraw/zinc/27/95/31/135279531.db2.gz FKVYZSISVKOLMM-IUCAKERBSA-N 1 0 240.328 0.367 10 0 BCAERO Cc1ccc(C(=O)NC[C@@H]2C[NH2+]C[C@H]2O)s1 ZINC000262112742 135280033 /nfs/dbraw/zinc/28/00/33/135280033.db2.gz FKVYZSISVKOLMM-DTWKUNHWSA-N 1 0 240.328 0.367 10 0 BCAERO CC(C)[C@@H]1OCC[C@H]1CNC(=O)C1([NH3+])CC1 ZINC000262130561 135280253 /nfs/dbraw/zinc/28/02/53/135280253.db2.gz MNJFGZIVNXGKFU-UWVGGRQHSA-N 1 0 226.320 0.655 10 0 BCAERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)c1ccccc1F ZINC000262215454 135285215 /nfs/dbraw/zinc/28/52/15/135285215.db2.gz JCBGKKRWMONWJC-GZMMTYOYSA-N 1 0 238.262 0.136 10 0 BCAERO COC[C@H]([NH3+])C(=O)N[C@H](C)c1csc(C)n1 ZINC000262192648 135285661 /nfs/dbraw/zinc/28/56/61/135285661.db2.gz CLGYRRRRWMXHRE-SVRRBLITSA-N 1 0 243.332 0.602 10 0 BCAERO COC[C@H]([NH3+])C(=O)N1C[C@@H](C)CCC[C@H]1C ZINC000262247506 135286981 /nfs/dbraw/zinc/28/69/81/135286981.db2.gz IITLOOYJESNDEP-AXFHLTTASA-N 1 0 228.336 0.997 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N1CC[C@H](OCC(C)C)C1 ZINC000262281538 135289452 /nfs/dbraw/zinc/28/94/52/135289452.db2.gz LVPFREJKGQSREF-WDEREUQCSA-N 1 0 244.335 0.234 10 0 BCAERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)C1CCCCC1 ZINC000262286703 135290957 /nfs/dbraw/zinc/29/09/57/135290957.db2.gz OJLDGMVOTRKDEH-MNOVXSKESA-N 1 0 226.320 0.263 10 0 BCAERO COC[C@H]([NH3+])C(=O)N[C@@H]1C[C@H]1Cc1ccccc1 ZINC000262302593 135291394 /nfs/dbraw/zinc/29/13/94/135291394.db2.gz OBJCYESEEVBEJE-FRRDWIJNSA-N 1 0 248.326 0.708 10 0 BCAERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)[C@@H]1CC12CCCC2 ZINC000262311920 135292288 /nfs/dbraw/zinc/29/22/88/135292288.db2.gz QLJWQDDUVBVLOG-GARJFASQSA-N 1 0 238.331 0.263 10 0 BCAERO C[C@H](CC(=O)NC[C@H]1C[NH2+]C[C@H]1O)C(C)(C)C ZINC000262327759 135293317 /nfs/dbraw/zinc/29/33/17/135293317.db2.gz RZXHNWIAGVJKAB-GMTAPVOTSA-N 1 0 242.363 0.755 10 0 BCAERO COC[C@@H]([NH3+])C(=O)NCCc1ccc(C)cc1 ZINC000262325028 135293336 /nfs/dbraw/zinc/29/33/36/135293336.db2.gz QYYJMNJFMPWEND-GFCCVEGCSA-N 1 0 236.315 0.627 10 0 BCAERO CC[C@@H](C)[C@H]([NH3+])C(=O)NCc1nccc(N)n1 ZINC000262333154 135294124 /nfs/dbraw/zinc/29/41/24/135294124.db2.gz WEICCXCRRLZPND-XCBNKYQSSA-N 1 0 237.307 0.048 10 0 BCAERO COC[C@H]([NH3+])C(=O)NCC1(CC(C)C)CC1 ZINC000262356121 135294890 /nfs/dbraw/zinc/29/48/90/135294890.db2.gz UZJOZRUPYPCGDT-JTQLQIEISA-N 1 0 228.336 0.903 10 0 BCAERO COC[C@H]([NH3+])C(=O)Nc1ccc2nc(C)cn2c1 ZINC000262363046 135296838 /nfs/dbraw/zinc/29/68/38/135296838.db2.gz VUNDWJXFPAPMJP-JTQLQIEISA-N 1 0 248.286 0.555 10 0 BCAERO COC[C@H]([NH3+])C(=O)NC[C@H]1CCO[C@H]1C(C)C ZINC000262388293 135298986 /nfs/dbraw/zinc/29/89/86/135298986.db2.gz YOXHMQPJHUUXKU-VWYCJHECSA-N 1 0 244.335 0.137 10 0 BCAERO COC[C@H]([NH3+])C(=O)NC[C@H]1CCO[C@@H]1C(C)C ZINC000262388257 135299030 /nfs/dbraw/zinc/29/90/30/135299030.db2.gz YOXHMQPJHUUXKU-OUAUKWLOSA-N 1 0 244.335 0.137 10 0 BCAERO CCC[C@](C)([NH3+])C(=O)N1C[C@H](O)[C@H](CC)C1 ZINC000262569606 135306393 /nfs/dbraw/zinc/30/63/93/135306393.db2.gz MNPNTZKHVMFQJS-SCVCMEIPSA-N 1 0 228.336 0.733 10 0 BCAERO CCC[C@](C)([NH3+])C(=O)N[C@H](CCO)CSC ZINC000262576830 135306547 /nfs/dbraw/zinc/30/65/47/135306547.db2.gz OVNOLSSZVOYHNZ-KOLCDFICSA-N 1 0 248.392 0.734 10 0 BCAERO COC[C@H]([NH3+])C(=O)N1CCCC[C@@H]1C(C)C ZINC000262568420 135306613 /nfs/dbraw/zinc/30/66/13/135306613.db2.gz SBEGTYLOYTYNHB-WDEREUQCSA-N 1 0 228.336 0.997 10 0 BCAERO C[N@H+](C[C@H](O)C(F)(F)F)CC1CC(O)C1 ZINC000084452688 135309240 /nfs/dbraw/zinc/30/92/40/135309240.db2.gz CEVINFYRVPCTDV-RRQHEKLDSA-N 1 0 227.226 0.612 10 0 BCAERO CCC(CC)(NC(=O)[C@@H]1CC[C@H]([NH3+])C1)C(N)=O ZINC000262630923 135309726 /nfs/dbraw/zinc/30/97/26/135309726.db2.gz WFXOKUXBQZOUAA-BDAKNGLRSA-N 1 0 241.335 0.274 10 0 BCAERO CCC[C@](C)([NH3+])C(=O)N(C)CC(=O)OCC ZINC000262720979 135315747 /nfs/dbraw/zinc/31/57/47/135315747.db2.gz ZUIRVHUHHOVNKJ-NSHDSACASA-N 1 0 230.308 0.525 10 0 BCAERO Cc1nnc2c(NCC[C@H]3CC[NH2+]C3)nccn12 ZINC000079471469 135322336 /nfs/dbraw/zinc/32/23/36/135322336.db2.gz DUTGGEJTFLVBDN-SNVBAGLBSA-N 1 0 246.318 0.844 10 0 BCAERO C[N@H+](CCN1CCOCC1)CC1CC(O)C1 ZINC000084454049 135324511 /nfs/dbraw/zinc/32/45/11/135324511.db2.gz MLJVAACKPFXEJH-UHFFFAOYSA-N 1 0 228.336 0.021 10 0 BCAERO COC[C@H](C)c1nc([C@@H]2C[NH2+]CCN2C)no1 ZINC000263119809 135334100 /nfs/dbraw/zinc/33/41/00/135334100.db2.gz AVFQZAODIAXEON-IUCAKERBSA-N 1 0 240.307 0.396 10 0 BCAERO Cc1ccc(CNC[C@@H]2C[NH2+]C[C@H]2O)cn1 ZINC000263182085 135337875 /nfs/dbraw/zinc/33/78/75/135337875.db2.gz GWMKLNWEEYYIMI-VXGBXAGGSA-N 1 0 221.304 0.060 10 0 BCAERO CN(C1CC[NH+](C2CCC2)CC1)S(C)(=O)=O ZINC000334280159 135338646 /nfs/dbraw/zinc/33/86/46/135338646.db2.gz GPNRSVSFPVNNFL-UHFFFAOYSA-N 1 0 246.376 0.895 10 0 BCAERO COc1ccsc1CNC[C@@H]1C[NH2+]C[C@@H]1O ZINC000263200600 135339035 /nfs/dbraw/zinc/33/90/35/135339035.db2.gz IYSVHBUHDVGXGM-IUCAKERBSA-N 1 0 242.344 0.427 10 0 BCAERO COc1ccsc1CNC[C@H]1C[NH2+]C[C@@H]1O ZINC000263200598 135339528 /nfs/dbraw/zinc/33/95/28/135339528.db2.gz IYSVHBUHDVGXGM-BDAKNGLRSA-N 1 0 242.344 0.427 10 0 BCAERO COc1ccsc1CNC[C@@H]1C[NH2+]C[C@H]1O ZINC000263200599 135339589 /nfs/dbraw/zinc/33/95/89/135339589.db2.gz IYSVHBUHDVGXGM-DTWKUNHWSA-N 1 0 242.344 0.427 10 0 BCAERO COc1cccc(CNC[C@@H]2C[NH2+]C[C@@H]2O)c1 ZINC000263224164 135341199 /nfs/dbraw/zinc/34/11/99/135341199.db2.gz MNVLKWBBGGSPTO-YPMHNXCESA-N 1 0 236.315 0.365 10 0 BCAERO Cc1ccc(F)cc1CNC[C@@H]1C[NH2+]C[C@@H]1O ZINC000263264774 135343354 /nfs/dbraw/zinc/34/33/54/135343354.db2.gz RLSQGYGAEXOEHJ-YPMHNXCESA-N 1 0 238.306 0.804 10 0 BCAERO COc1ccc(CNC[C@@H]2C[NH2+]C[C@H]2O)cc1 ZINC000263264733 135343403 /nfs/dbraw/zinc/34/34/03/135343403.db2.gz RKVQCSWSRZWVLF-DGCLKSJQSA-N 1 0 236.315 0.365 10 0 BCAERO COc1ccc(CNC[C@H]2C[NH2+]C[C@@H]2O)cc1 ZINC000263264732 135343554 /nfs/dbraw/zinc/34/35/54/135343554.db2.gz RKVQCSWSRZWVLF-AAEUAGOBSA-N 1 0 236.315 0.365 10 0 BCAERO O=C(NCCc1cn2ccccc2n1)C1C[NH2+]C1 ZINC000263277334 135344612 /nfs/dbraw/zinc/34/46/12/135344612.db2.gz JBDYIDJGEAQETJ-UHFFFAOYSA-N 1 0 244.298 0.212 10 0 BCAERO O=C(NCCCOC1CCCC1)C1C[NH2+]C1 ZINC000263304291 135345022 /nfs/dbraw/zinc/34/50/22/135345022.db2.gz NZZYILMHQZAVDY-UHFFFAOYSA-N 1 0 226.320 0.671 10 0 BCAERO Cc1cc(F)ccc1CNC[C@H]1C[NH2+]C[C@@H]1O ZINC000263313357 135345758 /nfs/dbraw/zinc/34/57/58/135345758.db2.gz ZCBPDCJGIXVBRR-AAEUAGOBSA-N 1 0 238.306 0.804 10 0 BCAERO Cc1ccccc1OCCNC(=O)C1C[NH2+]C1 ZINC000263346572 135348441 /nfs/dbraw/zinc/34/84/41/135348441.db2.gz ZEIXNYCIDDNDLT-UHFFFAOYSA-N 1 0 234.299 0.709 10 0 BCAERO CN(CC[NH3+])c1nc2ccccc2n1C ZINC000079048131 135396587 /nfs/dbraw/zinc/39/65/87/135396587.db2.gz RSSVGNIUNZMBMV-UHFFFAOYSA-N 1 0 204.277 0.968 10 0 BCAERO Cc1cnc([C@H](C)NC(=O)C2(C)C[NH2+]C2)o1 ZINC000335649615 135419813 /nfs/dbraw/zinc/41/98/13/135419813.db2.gz OHUHZFGMJLCDTJ-QMMMGPOBSA-N 1 0 223.276 0.770 10 0 BCAERO COC[C@H](C)[NH2+][C@H]1CCC(=O)N[C@H]1C ZINC000308626594 135425200 /nfs/dbraw/zinc/42/52/00/135425200.db2.gz WWKZRYSLSIVGQM-CIUDSAMLSA-N 1 0 200.282 0.278 10 0 BCAERO COCC[C@H](C)NC(=O)[C@H]1C[NH2+]C[C@H]1C ZINC000081712586 135429072 /nfs/dbraw/zinc/42/90/72/135429072.db2.gz YLYDXNROPZULJB-UTLUCORTSA-N 1 0 214.309 0.383 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1cnn(C)c1 ZINC000082559252 135439286 /nfs/dbraw/zinc/43/92/86/135439286.db2.gz IGBJZSHTEUZPMJ-VXNVDRBHSA-N 1 0 208.265 0.214 10 0 BCAERO C[C@@H]1CN(C(=O)[C@@H]2CCC[C@@H]2[NH3+])C[C@@H](C)O1 ZINC000082920049 135442485 /nfs/dbraw/zinc/44/24/85/135442485.db2.gz RJNFAEMNTIGMMZ-DBIOUOCHSA-N 1 0 226.320 0.750 10 0 BCAERO CN(C)c1nccc(NC[C@H]2CCC[NH2+]2)n1 ZINC000082924369 135442855 /nfs/dbraw/zinc/44/28/55/135442855.db2.gz DJWIWYHVRZNRKM-SECBINFHSA-N 1 0 221.308 0.707 10 0 BCAERO CC(C)NC(=O)CN(C)C(=O)[C@@H]1CCC[C@H]1[NH3+] ZINC000085367147 135482853 /nfs/dbraw/zinc/48/28/53/135482853.db2.gz ANPJIIMSBUCQTL-NXEZZACHSA-N 1 0 241.335 0.097 10 0 BCAERO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)c1ccnn1C ZINC000085727313 135488636 /nfs/dbraw/zinc/48/86/36/135488636.db2.gz QTBHGFZROPOQMM-BDAKNGLRSA-N 1 0 222.292 0.290 10 0 BCAERO O=C(C[NH2+]CC1CC1)NC[C@@H]1CCCC[C@H]1O ZINC000085986899 135489632 /nfs/dbraw/zinc/48/96/32/135489632.db2.gz PENRVFQLYFAVFF-NWDGAFQWSA-N 1 0 240.347 0.653 10 0 BCAERO C[C@H]1CN(c2ccc(C(N)=O)cn2)[C@@H](C)C[NH2+]1 ZINC000086471523 135492499 /nfs/dbraw/zinc/49/24/99/135492499.db2.gz GNFMBKIAXXGLSC-IUCAKERBSA-N 1 0 234.303 0.367 10 0 BCAERO COc1ccnc(N2CC[C@H]([NH3+])[C@H](C)C2)n1 ZINC000086887356 135498955 /nfs/dbraw/zinc/49/89/55/135498955.db2.gz LWHIRCSLRVPTGE-BDAKNGLRSA-N 1 0 222.292 0.659 10 0 BCAERO O=C(Cc1ccc(F)cc1F)NC1C[NH2+]C1 ZINC000087467169 135508198 /nfs/dbraw/zinc/50/81/98/135508198.db2.gz XMFXEKRADKXXQU-UHFFFAOYSA-N 1 0 226.226 0.595 10 0 BCAERO O=C(Cc1ccccc1O)NC1C[NH2+]C1 ZINC000087797872 135513498 /nfs/dbraw/zinc/51/34/98/135513498.db2.gz XLQWJKCCWCONHR-UHFFFAOYSA-N 1 0 206.245 0.023 10 0 BCAERO C[C@@H]1CN(C(=O)[C@H]2CCC[NH2+]C2)[C@H](C)CO1 ZINC000088032207 135514004 /nfs/dbraw/zinc/51/40/04/135514004.db2.gz ZZVYZVFIMYOXTD-MXWKQRLJSA-N 1 0 226.320 0.622 10 0 BCAERO Cn1ncc2c1ncnc2N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089092138 135528233 /nfs/dbraw/zinc/52/82/33/135528233.db2.gz LGWIEUUHYDHDEL-PSASIEDQSA-N 1 0 246.318 0.903 10 0 BCAERO C[C@@H]1CN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])C[C@@H](C)O1 ZINC000089448566 135534869 /nfs/dbraw/zinc/53/48/69/135534869.db2.gz BQBQMDPTIQAAKI-DDHJBXDOSA-N 1 0 240.347 0.997 10 0 BCAERO C[C@@H]([NH3+])[C@H](C)C(=O)/N=c1/sccn1C ZINC000192085975 135562004 /nfs/dbraw/zinc/56/20/04/135562004.db2.gz CHVYRYKUOLNWNO-NHCLPEMUSA-N 1 0 213.306 0.497 10 0 BCAERO CC(C)OCC(=O)N1CC[C@H](C)C[C@@H]1C[NH3+] ZINC000232682470 135666684 /nfs/dbraw/zinc/66/66/84/135666684.db2.gz BWJVIJFZJJPDLH-WDEREUQCSA-N 1 0 228.336 0.997 10 0 BCAERO Cc1c(CN2[C@H](C)C[NH2+]C[C@@H]2C)cnn1C ZINC000335305179 136022294 /nfs/dbraw/zinc/02/22/94/136022294.db2.gz ZRWGIXMMPSGDFD-AOOOYVTPSA-N 1 0 222.336 0.911 10 0 BCAERO C[C@H](C[NH2+][C@@H]1CCO[C@H]1C)CS(C)(=O)=O ZINC000348122895 136032624 /nfs/dbraw/zinc/03/26/24/136032624.db2.gz XRYYVHTXWPXUAM-KXUCPTDWSA-N 1 0 235.349 0.434 10 0 BCAERO Cc1csc(=O)n1CC[NH2+][C@H]1CCO[C@@H]1C ZINC000348190204 136048558 /nfs/dbraw/zinc/04/85/58/136048558.db2.gz QZYFZZMVWSMHQH-ZJUUUORDSA-N 1 0 242.344 0.985 10 0 BCAERO Cc1cc(C[NH2+][C@@H]2CCO[C@H]2C)nn1C ZINC000348189034 136048986 /nfs/dbraw/zinc/04/89/86/136048986.db2.gz MVTUTDAOHMSFOQ-GXSJLCMTSA-N 1 0 209.293 0.996 10 0 BCAERO C[C@H]1OCC[C@@H]1[NH2+]CCN1CCO[C@H](C)C1 ZINC000348192491 136049709 /nfs/dbraw/zinc/04/97/09/136049709.db2.gz ZYVNGHYTODBQNH-UTUOFQBUSA-N 1 0 228.336 0.474 10 0 BCAERO C[C@H](C(F)(F)F)S(=O)(=O)N1CC[C@@H]([NH3+])C1 ZINC000335347700 136067113 /nfs/dbraw/zinc/06/71/13/136067113.db2.gz VMRFWUXNYWKPDI-PHDIDXHHSA-N 1 0 246.254 0.300 10 0 BCAERO C[C@@H](C(F)(F)F)S(=O)(=O)N1CC[C@H]([NH3+])C1 ZINC000335373725 136084876 /nfs/dbraw/zinc/08/48/76/136084876.db2.gz VMRFWUXNYWKPDI-WDSKDSINSA-N 1 0 246.254 0.300 10 0 BCAERO CC(C)CN(CC(N)=O)C(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000091545048 166951040 /nfs/dbraw/zinc/95/10/40/166951040.db2.gz DJQVEEUHOUEKQV-NXEZZACHSA-N 1 0 241.335 0.084 10 0 BCAERO O[C@H](c1ccns1)[C@H]1CSCC[NH2+]1 ZINC000575451073 397938558 /nfs/dbraw/zinc/93/85/58/397938558.db2.gz QVIRGUOCHQBPKD-SVRRBLITSA-N 1 0 216.331 0.882 10 0 BCAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)[C@@H]1CCCOC1 ZINC000382432057 397950055 /nfs/dbraw/zinc/95/00/55/397950055.db2.gz LIXQKULITIFCLH-BBBLOLIVSA-N 1 0 212.293 0.361 10 0 BCAERO C[C@@H]1CN(C2(C[NH3+])COC2)CCS1 ZINC000575470513 397954207 /nfs/dbraw/zinc/95/42/07/397954207.db2.gz ZMIVWRNQPAEWAC-MRVPVSSYSA-N 1 0 202.323 0.151 10 0 BCAERO CO[C@@H](C[NH2+]C[C@@H]1CN(C)CCO1)C1CC1 ZINC000382171168 397916600 /nfs/dbraw/zinc/91/66/00/397916600.db2.gz WKPUQOQCJYVDPZ-NEPJUHHUSA-N 1 0 228.336 0.332 10 0 BCAERO CN(C[C@@H](O)C[NH2+]CC[C@@H]1CCCO1)C1CC1 ZINC000383759330 398036376 /nfs/dbraw/zinc/03/63/76/398036376.db2.gz LECDEZXKLIMUDQ-STQMWFEESA-N 1 0 242.363 0.600 10 0 BCAERO C[C@]1(C(=O)NCC[C@H]2CCCO2)C[NH2+]CCO1 ZINC000637901921 398038978 /nfs/dbraw/zinc/03/89/78/398038978.db2.gz JCCGRKAGCBSXEA-ZYHUDNBSSA-N 1 0 242.319 0.050 10 0 BCAERO Cn1nccc1C[NH2+]C[C@H]1CCC[C@@H]1O ZINC000084230738 398039324 /nfs/dbraw/zinc/03/93/24/398039324.db2.gz OUVRERVFCPTFRW-KOLCDFICSA-N 1 0 209.293 0.671 10 0 BCAERO CC(C)(C)OC(=O)N1CC(N2CC([NH3+])C2)C1 ZINC000066309033 398039896 /nfs/dbraw/zinc/03/98/96/398039896.db2.gz JMLRKNIOMIWIKZ-UHFFFAOYSA-N 1 0 227.308 0.249 10 0 BCAERO C[C@H]1CCSCCN1[C@H](C[NH3+])CO ZINC000306636894 397970610 /nfs/dbraw/zinc/97/06/10/397970610.db2.gz MAQUOQWIJQFKPF-DTWKUNHWSA-N 1 0 204.339 0.133 10 0 BCAERO CN1CCC[C@H]1C[N@@H+]1CCC[C@@]1(C)CO ZINC000649586311 397975584 /nfs/dbraw/zinc/97/55/84/397975584.db2.gz ZIHMLHDUKGIKBZ-RYUDHWBXSA-N 1 0 212.337 0.927 10 0 BCAERO CS[C@@H]1CCCN(C(=O)[C@@H](C)[NH3+])C1 ZINC000307133346 397985093 /nfs/dbraw/zinc/98/50/93/397985093.db2.gz MRUUJVXTLSATJM-HTQZYQBOSA-N 1 0 202.323 0.688 10 0 BCAERO CN1CCC[C@H]1C[N@H+](C)C1(CO)CCOCC1 ZINC000649592579 397986252 /nfs/dbraw/zinc/98/62/52/397986252.db2.gz MKWCUJQUFCNFHT-LBPRGKRZSA-N 1 0 242.363 0.554 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N(C)C[C@H]1CCOC1 ZINC000398832448 398063202 /nfs/dbraw/zinc/06/32/02/398063202.db2.gz FQQRDOXVJJVAQL-GMTAPVOTSA-N 1 0 226.320 0.337 10 0 BCAERO CC(C)[S@](=O)[C@H]1C[NH2+]CC[C@@]1(C)O ZINC000307298276 398065229 /nfs/dbraw/zinc/06/52/29/398065229.db2.gz WTOPJLGFQZEDQN-RWEMILLDSA-N 1 0 205.323 0.256 10 0 BCAERO CC[NH2+][C@@H](C)C(=O)N1CCN2CCCC[C@@H]2C1 ZINC000638088098 398071459 /nfs/dbraw/zinc/07/14/59/398071459.db2.gz YUZAZWQQMLVGEJ-NWDGAFQWSA-N 1 0 239.363 0.681 10 0 BCAERO Cc1nnc(NCCC2CC[NH2+]CC2)nc1C ZINC000650310273 398094401 /nfs/dbraw/zinc/09/44/01/398094401.db2.gz VVCAONWAIPMPNU-UHFFFAOYSA-N 1 0 235.335 0.712 10 0 BCAERO O=C(NCC1CC=CC1)[C@H]1C[NH2+]CCOC1 ZINC000638494176 398103597 /nfs/dbraw/zinc/10/35/97/398103597.db2.gz SSFSENPDAAGKSS-NSHDSACASA-N 1 0 224.304 0.305 10 0 BCAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1CC(=O)OC ZINC000245418693 398115756 /nfs/dbraw/zinc/11/57/56/398115756.db2.gz GSEIMTKUJHUBOZ-QWRGUYRKSA-N 1 0 226.320 0.718 10 0 BCAERO COC(=O)[C@@H]([NH3+])[C@H]1CCC[C@@H](OC)C1 ZINC000069553366 398114240 /nfs/dbraw/zinc/11/42/40/398114240.db2.gz CDLZCXGMABRRCJ-YIZRAAEISA-N 1 0 201.266 0.692 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)N2C[C@H]([NH3+])C[C@@H]2C)O1 ZINC000385094150 398132975 /nfs/dbraw/zinc/13/29/75/398132975.db2.gz NAUFPABBGFWRFB-SGIHWFKDSA-N 1 0 212.293 0.502 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)N2C[C@@H]([NH3+])C[C@@H]2C)O1 ZINC000385094149 398132982 /nfs/dbraw/zinc/13/29/82/398132982.db2.gz NAUFPABBGFWRFB-QCLAVDOMSA-N 1 0 212.293 0.502 10 0 BCAERO COC[C@@]1(C(=O)NCc2ccncc2)CCC[NH2+]1 ZINC000649275509 398133665 /nfs/dbraw/zinc/13/36/65/398133665.db2.gz FWLBPIKLBVLYKD-CYBMUJFWSA-N 1 0 249.314 0.466 10 0 BCAERO C[C@@H]1C[C@@H](O)C[N@H+](CCCn2ccnc2)C1 ZINC000401505814 533674688 /nfs/dbraw/zinc/67/46/88/533674688.db2.gz RXWMEIAYNAQIIU-VXGBXAGGSA-N 1 0 223.320 0.976 10 0 BCAERO CC(C)NC(=O)CN(C)c1ccnc(C[NH3+])c1 ZINC000061811712 167047798 /nfs/dbraw/zinc/04/77/98/167047798.db2.gz WLGHNNWSYHSIRV-UHFFFAOYSA-N 1 0 236.319 0.501 10 0 BCAERO CC(C)NC(=O)CN(C)c1cc[nH+]cc1N ZINC000042141516 167048721 /nfs/dbraw/zinc/04/87/21/167048721.db2.gz KJNMORMYOSOAJK-UHFFFAOYSA-N 1 0 222.292 0.625 10 0 BCAERO CNC(C)(C)C(=O)OC1CC[NH+](C)CC1 ZINC000061172170 173319395 /nfs/dbraw/zinc/31/93/95/173319395.db2.gz IEQHNAMQLXPXHP-UHFFFAOYSA-N 1 0 214.309 0.622 10 0 BCAERO CC(C)NC(=O)CNC(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000055087472 167057360 /nfs/dbraw/zinc/05/73/60/167057360.db2.gz CVXDOYNXRCNKLI-VHSXEESVSA-N 1 0 241.335 0.145 10 0 BCAERO CC(C)NC(=O)C[NH2+]C1CCS(=O)CC1 ZINC000042336381 167058044 /nfs/dbraw/zinc/05/80/44/167058044.db2.gz IKJXKUCRFSDXDU-UHFFFAOYSA-N 1 0 232.349 0.012 10 0 BCAERO CC(C)NC(=O)CNc1cc[nH+]cc1N ZINC000036781685 167060953 /nfs/dbraw/zinc/06/09/53/167060953.db2.gz BBRHJSSBESRYRI-UHFFFAOYSA-N 1 0 208.265 0.600 10 0 BCAERO CC(C)NC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C)C1 ZINC000042547090 167082013 /nfs/dbraw/zinc/08/20/13/167082013.db2.gz SQBSVKBRPRIRCC-NXEZZACHSA-N 1 0 213.325 0.193 10 0 BCAERO C[C@@H](C[NH3+])N(C)c1ccnc2c1cnn2C ZINC000257740937 322873693 /nfs/dbraw/zinc/87/36/93/322873693.db2.gz BIOUYFAAFMRHHM-QMMMGPOBSA-N 1 0 219.292 0.752 10 0 BCAERO CC(C)[NH2+]CCC(=O)N1CCC[C@H](O)C1 ZINC000037654944 167099651 /nfs/dbraw/zinc/09/96/51/167099651.db2.gz JSHARLITYPUWJR-JTQLQIEISA-N 1 0 214.309 0.358 10 0 BCAERO CC(C)NS(=O)(=O)C[C@@H]1CCC[NH2+]C1 ZINC000049631921 167123977 /nfs/dbraw/zinc/12/39/77/167123977.db2.gz WCPVWMBHAXCKMJ-SECBINFHSA-N 1 0 220.338 0.314 10 0 BCAERO CC(C)[NH2+][C@@H](C(N)=O)c1cccc(O)c1 ZINC000037869403 167130571 /nfs/dbraw/zinc/13/05/71/167130571.db2.gz FRXJXYJHSHOUMA-SNVBAGLBSA-N 1 0 208.261 0.917 10 0 BCAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]CCc1ccnn1C ZINC000392930719 487557881 /nfs/dbraw/zinc/55/78/81/487557881.db2.gz KDKONCJYEHQDIJ-ONGXEEELSA-N 1 0 236.319 0.219 10 0 BCAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+][C@@H]1CCC[C@H]1O ZINC000392958843 487557976 /nfs/dbraw/zinc/55/79/76/487557976.db2.gz IBDLRBOLHYHTBN-AXTSPUMRSA-N 1 0 212.293 0.157 10 0 BCAERO CCN(CC)C(=O)N1CC[C@H]2OCC[NH2+][C@H]2C1 ZINC000404110715 322883315 /nfs/dbraw/zinc/88/33/15/322883315.db2.gz AOWHLNXOLDEFLI-WDEREUQCSA-N 1 0 241.335 0.511 10 0 BCAERO [NH3+]C[C@H]1CCCN1C(=O)c1n[nH]c2c1CCCC2 ZINC000238055248 487560075 /nfs/dbraw/zinc/56/00/75/487560075.db2.gz DEJXDBZZLFAOQA-SECBINFHSA-N 1 0 248.330 0.852 10 0 BCAERO CCCCOC[C@H](O)C[NH2+]C[C@H](C)OC ZINC000227897573 487562515 /nfs/dbraw/zinc/56/25/15/487562515.db2.gz CQODSPAAOFUAAE-WDEREUQCSA-N 1 0 219.325 0.789 10 0 BCAERO CCCCOC[C@H](O)C[NH2+][C@@H](C)CCO ZINC000227895635 487562646 /nfs/dbraw/zinc/56/26/46/487562646.db2.gz LZJSAGCXSPPTEG-WDEREUQCSA-N 1 0 219.325 0.525 10 0 BCAERO COCCOC[C@@H](O)C[NH2+]C[C@@H](O)C(C)(C)C ZINC000324279927 487566972 /nfs/dbraw/zinc/56/69/72/487566972.db2.gz OHRHQDWPUDPBLY-WDEREUQCSA-N 1 0 249.351 0.007 10 0 BCAERO COCCOC[C@H](O)C[NH2+]C[C@H](O)C(C)(C)C ZINC000324279925 487567105 /nfs/dbraw/zinc/56/71/05/487567105.db2.gz OHRHQDWPUDPBLY-MNOVXSKESA-N 1 0 249.351 0.007 10 0 BCAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)NCc1cn(CC)nn1 ZINC000404445745 487567600 /nfs/dbraw/zinc/56/76/00/487567600.db2.gz CIPVWLUCTOLERK-PSASIEDQSA-N 1 0 239.323 0.288 10 0 BCAERO COC(=O)C[N@@H+]1CCC[C@@H]1CCCO ZINC000052760825 487568923 /nfs/dbraw/zinc/56/89/23/487568923.db2.gz JCYDPPFXBPUXPE-SECBINFHSA-N 1 0 201.266 0.396 10 0 BCAERO CC(C)(C)[C@H](O)CNC(=O)CCC[NH3+] ZINC000324297248 487570369 /nfs/dbraw/zinc/57/03/69/487570369.db2.gz BZMAHAIKJXTUSR-MRVPVSSYSA-N 1 0 202.298 0.249 10 0 BCAERO C[C@@H]1C[C@H](O)C[N@@H+]1C[C@H]1CCC[C@H](O)C1 ZINC000308914582 487581823 /nfs/dbraw/zinc/58/18/23/487581823.db2.gz NLHBHSFTVBNWKJ-RHYQMDGZSA-N 1 0 213.321 0.993 10 0 BCAERO CC(C)OCCN1CCO[C@@H](C[NH+](C)C)C1 ZINC000105927423 167233812 /nfs/dbraw/zinc/23/38/12/167233812.db2.gz WARNEXMYJSEEKX-LBPRGKRZSA-N 1 0 230.352 0.674 10 0 BCAERO C[C@@H]1C[C@@H](O)C[N@H+](Cc2cccnc2N)C1 ZINC000401898032 533677811 /nfs/dbraw/zinc/67/78/11/533677811.db2.gz LOMQZEOEPUFZOV-MWLCHTKSSA-N 1 0 221.304 0.867 10 0 BCAERO O=C(CC1CCCC1)NC[C@H]1C[NH2+]C[C@H]1O ZINC000262227633 487600897 /nfs/dbraw/zinc/60/08/97/487600897.db2.gz KBOCQYAUGDGBGB-GHMZBOCLSA-N 1 0 226.320 0.263 10 0 BCAERO CC(C)S(=O)(=O)CCN1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000226540852 167317432 /nfs/dbraw/zinc/31/74/32/167317432.db2.gz WEZUHLASTJCYOB-MNOVXSKESA-N 1 0 248.392 0.479 10 0 BCAERO CC(C)S(=O)(=O)N1CCC[C@H](C[NH3+])C1 ZINC000044528957 167319526 /nfs/dbraw/zinc/31/95/26/167319526.db2.gz OLQUITZKCHBYTQ-SECBINFHSA-N 1 0 220.338 0.395 10 0 BCAERO CC[C@H](C)NC(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000087638892 322922418 /nfs/dbraw/zinc/92/24/18/322922418.db2.gz XDLTTYNYVHTDMG-JTQLQIEISA-N 1 0 227.352 0.585 10 0 BCAERO COc1cc(NC(=O)[C@@H]2C[NH2+]C[C@H]2C)ccn1 ZINC000306112144 487606603 /nfs/dbraw/zinc/60/66/03/487606603.db2.gz WQYJOAJMEINGOF-PSASIEDQSA-N 1 0 235.287 0.884 10 0 BCAERO c1ccc2[nH]c(NC[C@H]3COCC[NH2+]3)nc2c1 ZINC000232556243 487606259 /nfs/dbraw/zinc/60/62/59/487606259.db2.gz NTYDTFXMVAMAGR-VIFPVBQESA-N 1 0 232.287 0.963 10 0 BCAERO C[NH2+][C@H](C)C(=O)N[C@@H]1CCS[C@H]1C ZINC000306223861 487607262 /nfs/dbraw/zinc/60/72/62/487607262.db2.gz ZXFKNKKURVLWCB-GJMOJQLCSA-N 1 0 202.323 0.605 10 0 BCAERO CO[C@H](C(=O)NCC[C@@H](C)[NH3+])C1CCC1 ZINC000662408564 409701133 /nfs/dbraw/zinc/70/11/33/409701133.db2.gz VJSFMYNRLIFHDU-SCZZXKLOSA-N 1 0 214.309 0.655 10 0 BCAERO [NH3+]CCCCC(=O)N[C@H]1CCC[C@@H](O)C1 ZINC000069733218 409787451 /nfs/dbraw/zinc/78/74/51/409787451.db2.gz XKMODSFXNFETEF-VHSXEESVSA-N 1 0 214.309 0.535 10 0 BCAERO COC[C@]1(C(=O)NCC(C)(F)F)CCC[NH2+]1 ZINC000662897412 409970564 /nfs/dbraw/zinc/97/05/64/409970564.db2.gz GPKCBVUSAHTUQB-JTQLQIEISA-N 1 0 236.262 0.526 10 0 BCAERO CC(C)(C)c1nc(Cn2cc(C[NH3+])nn2)no1 ZINC000050224983 409930320 /nfs/dbraw/zinc/93/03/20/409930320.db2.gz NURZAHLGSAJXJM-UHFFFAOYSA-N 1 0 236.279 0.466 10 0 BCAERO CCN(CC)C(=O)Cn1cc(C(C)(C)[NH3+])nn1 ZINC000070117852 410013956 /nfs/dbraw/zinc/01/39/56/410013956.db2.gz WCCMRCPWNJVJLB-UHFFFAOYSA-N 1 0 239.323 0.340 10 0 BCAERO O=C(C[C@H]1CCC[NH2+]C1)NCCOCCF ZINC000663004876 410022147 /nfs/dbraw/zinc/02/21/47/410022147.db2.gz SHBSKHPTXIHJKW-SNVBAGLBSA-N 1 0 232.299 0.478 10 0 BCAERO C[C@@H]1SCC[C@@H]1NC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000653175280 410149766 /nfs/dbraw/zinc/14/97/66/410149766.db2.gz UAZADIQFZYHVSX-XSPKLOCKSA-N 1 0 232.324 0.697 10 0 BCAERO CCCc1nccnc1NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000663271951 410091292 /nfs/dbraw/zinc/09/12/92/410091292.db2.gz IOBBQOIWRVWHRM-ONGXEEELSA-N 1 0 236.319 0.421 10 0 BCAERO CCOc1cc(N[C@H](C)C[NH2+]C)ncn1 ZINC000663278575 410092443 /nfs/dbraw/zinc/09/24/43/410092443.db2.gz KDAJTWFDPJEVEA-MRVPVSSYSA-N 1 0 210.281 0.895 10 0 BCAERO CCn1ccnc(N[C@@H](C)C[NH2+]C)c1=O ZINC000663279101 410094623 /nfs/dbraw/zinc/09/46/23/410094623.db2.gz OWFCKZUSOUMTBC-QMMMGPOBSA-N 1 0 210.281 0.283 10 0 BCAERO CC(C)(C)[C@H](O)C[NH2+]CCOCCF ZINC000663377840 410167588 /nfs/dbraw/zinc/16/75/88/410167588.db2.gz VZOUASXELMEUQU-SECBINFHSA-N 1 0 207.289 0.969 10 0 BCAERO C[NH2+][C@H](C)C(=O)N1CC[C@]2(CCOC2)C1 ZINC000655440695 410263815 /nfs/dbraw/zinc/26/38/15/410263815.db2.gz GVVDMNKJNOUZNK-KOLCDFICSA-N 1 0 212.293 0.233 10 0 BCAERO Cc1noc(CNC(=O)C[C@H]([NH3+])C(C)C)n1 ZINC000128967310 410364690 /nfs/dbraw/zinc/36/46/90/410364690.db2.gz YPRHADDDCVZMDO-QMMMGPOBSA-N 1 0 226.280 0.368 10 0 BCAERO C[C@H](NCc1cn(C)nn1)[C@@H]1CCC[NH2+]C1 ZINC000650759126 410407784 /nfs/dbraw/zinc/40/77/84/410407784.db2.gz DOCQETBPUBGNKS-VHSXEESVSA-N 1 0 223.324 0.293 10 0 BCAERO COC(=O)[C@@H]1CC[NH2+]C[C@@H]1C(F)(F)F ZINC000199558995 322926573 /nfs/dbraw/zinc/92/65/73/322926573.db2.gz ZJACBBGWJGIKMF-RITPCOANSA-N 1 0 211.183 0.947 10 0 BCAERO Cc1cnc(C)c(N2CCO[C@@H]([C@@H](C)[NH3+])C2)n1 ZINC000132911824 410431789 /nfs/dbraw/zinc/43/17/89/410431789.db2.gz WUPYADLTPXCGQQ-MWLCHTKSSA-N 1 0 236.319 0.646 10 0 BCAERO COC(C)(C)CNC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000133516983 410440285 /nfs/dbraw/zinc/44/02/85/410440285.db2.gz AJLJGGGNJAYDPR-VHSXEESVSA-N 1 0 228.336 0.903 10 0 BCAERO COCC[NH2+]CCNc1ccc2nccnc2n1 ZINC000215513766 410546039 /nfs/dbraw/zinc/54/60/39/410546039.db2.gz LLOZMNODRWCBKA-UHFFFAOYSA-N 1 0 247.302 0.673 10 0 BCAERO CC(C)(C)CCOC(=O)CN1CC[NH2+]CC1 ZINC000077342638 166574571 /nfs/dbraw/zinc/57/45/71/166574571.db2.gz GWEPSNBIJIXLAF-UHFFFAOYSA-N 1 0 228.336 0.871 10 0 BCAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)C[C@H]1CCCO1 ZINC000393741910 410756718 /nfs/dbraw/zinc/75/67/18/410756718.db2.gz JRUQWZBEWUQATB-BBBLOLIVSA-N 1 0 212.293 0.504 10 0 BCAERO C[C@@H]([NH3+])CCNC(=O)[C@H](C)OCC1CC1 ZINC000393748967 410757657 /nfs/dbraw/zinc/75/76/57/410757657.db2.gz POIZCCXUJYBYJL-BDAKNGLRSA-N 1 0 214.309 0.655 10 0 BCAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)NCC1(COC)CC1 ZINC000655489880 410806072 /nfs/dbraw/zinc/80/60/72/410806072.db2.gz ACROENIVFBYJDT-NXEZZACHSA-N 1 0 228.336 0.903 10 0 BCAERO COCC1(CNC(=O)C[C@@H]2CCC[NH2+]C2)CC1 ZINC000655490526 410807361 /nfs/dbraw/zinc/80/73/61/410807361.db2.gz MTWOZSJYZAIZBU-NSHDSACASA-N 1 0 240.347 0.919 10 0 BCAERO C[NH2+][C@H](C)C(=O)NCC1(COC)CC1 ZINC000655491090 410810444 /nfs/dbraw/zinc/81/04/44/410810444.db2.gz ZZEHFAQAHVVIGK-MRVPVSSYSA-N 1 0 200.282 0.137 10 0 BCAERO CC(C)CC[NH2+]CCN1CCOCC1 ZINC000019954051 166860638 /nfs/dbraw/zinc/86/06/38/166860638.db2.gz JNXSMOXFLPRESB-UHFFFAOYSA-N 1 0 200.326 0.954 10 0 BCAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N(C)Cc1cn[nH]c1 ZINC000395230703 410841604 /nfs/dbraw/zinc/84/16/04/410841604.db2.gz FCALKDNUQOPBHM-ONGXEEELSA-N 1 0 236.319 0.756 10 0 BCAERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)N(C)Cc1cn[nH]c1 ZINC000395230696 410842161 /nfs/dbraw/zinc/84/21/61/410842161.db2.gz FCALKDNUQOPBHM-GXSJLCMTSA-N 1 0 236.319 0.756 10 0 BCAERO C[C@@H]1CC[N@H+](C[C@@H]2CCCN2C)[C@H]1CO ZINC000395313772 410844299 /nfs/dbraw/zinc/84/42/99/410844299.db2.gz BVIZQOOFNBUZOG-WOPDTQHZSA-N 1 0 212.337 0.783 10 0 BCAERO Cc1cc(CNC(=O)[C@@H]2CCC[NH2+][C@H]2C)no1 ZINC000395317987 410845086 /nfs/dbraw/zinc/84/50/86/410845086.db2.gz ZJTOLLYPOORAFZ-GXSJLCMTSA-N 1 0 237.303 0.987 10 0 BCAERO C[C@H](CO)[C@H](C)[NH2+]C[C@@H]1CCCN1C ZINC000395339007 410847439 /nfs/dbraw/zinc/84/74/39/410847439.db2.gz YLLLICCWQHXXSD-VWYCJHECSA-N 1 0 200.326 0.687 10 0 BCAERO Cn1ncc2c1ncnc2NCCC1(C[NH3+])CC1 ZINC000395872138 410865868 /nfs/dbraw/zinc/86/58/68/410865868.db2.gz KIYKONKBIUFJJR-UHFFFAOYSA-N 1 0 246.318 0.904 10 0 BCAERO C[C@@H](O)C[NH2+]Cc1cnc2ccnn2c1 ZINC000309136852 410866300 /nfs/dbraw/zinc/86/63/00/410866300.db2.gz SFSAGGQFNJCCEG-MRVPVSSYSA-N 1 0 206.249 0.200 10 0 BCAERO CC(C)C[NH2+]C1(C(N)=O)CCN(C)CC1 ZINC000037946239 167002967 /nfs/dbraw/zinc/00/29/67/167002967.db2.gz VFFZEPBRSFDCNS-UHFFFAOYSA-N 1 0 213.325 0.182 10 0 BCAERO CC(C)C[NH2+]CCCn1c(=O)ccn(C)c1=O ZINC000104299341 167005556 /nfs/dbraw/zinc/00/55/56/167005556.db2.gz MCRMGHJZPMAOSU-UHFFFAOYSA-N 1 0 239.319 0.183 10 0 BCAERO CC(C)N1CC[C@H]([NH2+][C@@H]2CCS(=O)(=O)C2)C1 ZINC000045649950 167024872 /nfs/dbraw/zinc/02/48/72/167024872.db2.gz YPCYGIYPBDBLJY-WDEREUQCSA-N 1 0 246.376 0.246 10 0 BCAERO CC(C)[N@H+]1C[C@H](NC(=O)c2ccnnc2)[C@@H](C)C1 ZINC000132837308 167033464 /nfs/dbraw/zinc/03/34/64/167033464.db2.gz DKBYIYDTCPTUNL-JQWIXIFHSA-N 1 0 248.330 0.935 10 0 BCAERO CC(C)NC(=O)CCN1CCC[C@H]([NH3+])C1 ZINC000054048861 167039604 /nfs/dbraw/zinc/03/96/04/167039604.db2.gz HRXXSANSEFFUND-JTQLQIEISA-N 1 0 213.325 0.324 10 0 BCAERO CC(C)NC(=O)C[N@@H+]1CCC[C@@H](O)[C@@H]1C ZINC000335595261 167050509 /nfs/dbraw/zinc/05/05/09/167050509.db2.gz ARKNDLMCIXPMPM-VHSXEESVSA-N 1 0 214.309 0.356 10 0 BCAERO CC(C)NC(=O)C[NH2+][C@@H](C)C(=O)NC(C)(C)C ZINC000035148326 167059194 /nfs/dbraw/zinc/05/91/94/167059194.db2.gz GQSNSOVYZNDQML-VIFPVBQESA-N 1 0 243.351 0.404 10 0 BCAERO CC(C)NC(=O)C[NH2+][C@H]1CCCC[C@@H]1O ZINC000037691531 167060766 /nfs/dbraw/zinc/06/07/66/167060766.db2.gz BDLXAKJXIVJCRD-UWVGGRQHSA-N 1 0 214.309 0.404 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N1CCc2n[nH]cc2C1 ZINC000396813611 410900735 /nfs/dbraw/zinc/90/07/35/410900735.db2.gz FEKPEHUQCYJUHM-ONGXEEELSA-N 1 0 248.330 0.669 10 0 BCAERO CC(C)NC(=O)N1CCN(CCC[NH3+])CC1 ZINC000037037810 167069479 /nfs/dbraw/zinc/06/94/79/167069479.db2.gz QEWVVNMLXPVJAB-UHFFFAOYSA-N 1 0 228.340 0.071 10 0 BCAERO CC(C)NC(=O)[C@@H](C)OC1CC[NH2+]CC1 ZINC000037390574 167081049 /nfs/dbraw/zinc/08/10/49/167081049.db2.gz IYZPDZVTWQKMAC-SECBINFHSA-N 1 0 214.309 0.668 10 0 BCAERO CC(C)[NH2+]CC(=O)N1CCC[C@H](CO)C1 ZINC000037477194 167095970 /nfs/dbraw/zinc/09/59/70/167095970.db2.gz MZHUZUCUIZFATM-JTQLQIEISA-N 1 0 214.309 0.215 10 0 BCAERO CC(C)[NH2+]CC(=O)N1CCn2ccnc2C1 ZINC000062254828 167097692 /nfs/dbraw/zinc/09/76/92/167097692.db2.gz IZOYBXGZGGWTOB-UHFFFAOYSA-N 1 0 222.292 0.223 10 0 BCAERO CC(C)[NH2+]CC(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000037394780 167098317 /nfs/dbraw/zinc/09/83/17/167098317.db2.gz SMJDVYPJXMVZIY-NXEZZACHSA-N 1 0 214.309 0.620 10 0 BCAERO Cc1nccc(C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)n1 ZINC000396935779 410905302 /nfs/dbraw/zinc/90/53/02/410905302.db2.gz QTGLDCMISRRYAL-DCAQKATOSA-N 1 0 246.314 0.594 10 0 BCAERO CC(C)[NH2+]C[C@]1(C)CCS(=O)(=O)C1 ZINC000054640427 167116215 /nfs/dbraw/zinc/11/62/15/167116215.db2.gz MKCSZECHYDTRCW-VIFPVBQESA-N 1 0 205.323 0.809 10 0 BCAERO CC(C)[NH2+][C@@H](C(N)=O)C1CCOCC1 ZINC000052178843 167131096 /nfs/dbraw/zinc/13/10/96/167131096.db2.gz FNMBCDQQADYKOB-SECBINFHSA-N 1 0 200.282 0.265 10 0 BCAERO CC(C)[NH2+][C@@H](CCOC[C@@H]1CCCO1)C(N)=O ZINC000062543545 167133264 /nfs/dbraw/zinc/13/32/64/167133264.db2.gz IZUMWSBJFVWOJB-QWRGUYRKSA-N 1 0 244.335 0.424 10 0 BCAERO CC(C)[NH2+][C@@]1(C(N)=O)CCN(C2CC2)C1 ZINC000061991003 167136716 /nfs/dbraw/zinc/13/67/16/167136716.db2.gz VRAOSTAUBKPPIY-NSHDSACASA-N 1 0 211.309 0.077 10 0 BCAERO CC(C)Oc1ccc([C@H](O)[C@H]([NH3+])CO)cc1 ZINC000077338491 167301132 /nfs/dbraw/zinc/30/11/32/167301132.db2.gz JUHJYXUEHDXHSE-NEPJUHHUSA-N 1 0 225.288 0.827 10 0 BCAERO CC(C)[C@@H](C(=O)[O-])[N@@H+]1CCC[NH2+]CC1 ZINC000041049553 167345059 /nfs/dbraw/zinc/34/50/59/167345059.db2.gz GZAIFKVRYILLLO-VIFPVBQESA-N 1 0 200.282 0.391 10 0 BCAERO CC(C)[C@@H](C)N(C)C(=O)[C@@H](C)N1CC[NH2+]CC1 ZINC000036788214 167363713 /nfs/dbraw/zinc/36/37/13/167363713.db2.gz RGLMWKQERKLVPH-VXGBXAGGSA-N 1 0 241.379 0.783 10 0 BCAERO CC(C)[C@@H](C)NC(=O)C[NH2+][C@@H]1CCC(=O)NC1 ZINC000104330711 167372001 /nfs/dbraw/zinc/37/20/01/167372001.db2.gz FVLXPCGTWPFNME-NXEZZACHSA-N 1 0 241.335 0.015 10 0 BCAERO CC(C)[C@@H](C)NC(=O)C[NH2+][C@H](C)C(=O)N(C)C ZINC000049308389 167372583 /nfs/dbraw/zinc/37/25/83/167372583.db2.gz CDYQVIVNQJKBSF-NXEZZACHSA-N 1 0 243.351 0.213 10 0 BCAERO CC(C)[C@@H](C)NC(=O)C[NH2+]C[C@H]1CCCO1 ZINC000042221824 167373642 /nfs/dbraw/zinc/37/36/42/167373642.db2.gz ARMFHOXDAUAALV-GHMZBOCLSA-N 1 0 228.336 0.916 10 0 BCAERO CC(C)[C@@H](C)[NH2+][C@@H]1CCS(=O)(=O)C1 ZINC000019900041 167384298 /nfs/dbraw/zinc/38/42/98/167384298.db2.gz GVBLSGMNZNDUFS-RKDXNWHRSA-N 1 0 205.323 0.808 10 0 BCAERO CC(C)[C@@H](C[NH3+])C(=O)N1CCCC[C@@H]1C(N)=O ZINC000044807057 167395585 /nfs/dbraw/zinc/39/55/85/167395585.db2.gz HCQGZZYFGBSJQH-NXEZZACHSA-N 1 0 241.335 0.084 10 0 BCAERO CC(C)[C@@H](CN(C)C)[NH2+]CC(=O)N1CCCC1 ZINC000049205767 167395866 /nfs/dbraw/zinc/39/58/66/167395866.db2.gz LJBUSWONBCJUSC-GFCCVEGCSA-N 1 0 241.379 0.785 10 0 BCAERO CC(C)[C@@H](C[NH3+])N1CCS(=O)CC1 ZINC000049691650 167397345 /nfs/dbraw/zinc/39/73/45/167397345.db2.gz BXMPTFAYHQPXJU-SECBINFHSA-N 1 0 204.339 0.034 10 0 BCAERO CC(C)[C@@H](C[NH3+])N1C(=O)CCCCC1=O ZINC000082641894 167397514 /nfs/dbraw/zinc/39/75/14/167397514.db2.gz OHNJNZLVSAIVGA-SECBINFHSA-N 1 0 212.293 0.899 10 0 BCAERO [NH3+][C@H](C(=O)NCC[C@H]1CCCO1)C1CCC1 ZINC000398977426 411004290 /nfs/dbraw/zinc/00/42/90/411004290.db2.gz DLAIMFBBTJWVLD-MNOVXSKESA-N 1 0 226.320 0.799 10 0 BCAERO CN(CCC(C)(C)C)C(=O)[C@H](N)CC(N)=O ZINC000399808874 411068311 /nfs/dbraw/zinc/06/83/11/411068311.db2.gz CKWJNYRHRWSHRE-MRVPVSSYSA-N 1 0 229.324 0.084 10 0 BCAERO C[NH2+][C@H](C)C(=O)N[C@@H](C)Cc1ccccn1 ZINC000655499571 411031339 /nfs/dbraw/zinc/03/13/39/411031339.db2.gz MVGFUWAWMUQZDX-VHSXEESVSA-N 1 0 221.304 0.737 10 0 BCAERO C[C@@H](C(=O)N1CCCC[C@H]1C[NH3+])n1cncn1 ZINC000044540839 411137595 /nfs/dbraw/zinc/13/75/95/411137595.db2.gz QOAPEGNQSMUHGI-UWVGGRQHSA-N 1 0 237.307 0.179 10 0 BCAERO CN(Cc1cc[nH]n1)C(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000400326063 411154704 /nfs/dbraw/zinc/15/47/04/411154704.db2.gz HVFGDPQUQPMIFC-GXSJLCMTSA-N 1 0 236.319 0.743 10 0 BCAERO C[NH2+][C@@H](C)CNC(=O)[C@@H](C)OCC(C)C ZINC000309514910 411157776 /nfs/dbraw/zinc/15/77/76/411157776.db2.gz RCANZJIOYCWJED-VHSXEESVSA-N 1 0 216.325 0.772 10 0 BCAERO C[C@H]1CN(Cc2nnn(C(C)(C)C)n2)C[C@@H]1[NH3+] ZINC000655941119 411160461 /nfs/dbraw/zinc/16/04/61/411160461.db2.gz MPKPIRQHKSFMQY-IUCAKERBSA-N 1 0 238.339 0.207 10 0 BCAERO C[C@@H](C(=O)N1CC[C@H]([NH3+])[C@H]1C)n1cccn1 ZINC000309354303 411107617 /nfs/dbraw/zinc/10/76/17/411107617.db2.gz YBCJENDKDOLMNG-UTLUCORTSA-N 1 0 222.292 0.392 10 0 BCAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)CC[C@H]1CCCO1 ZINC000309364008 411107902 /nfs/dbraw/zinc/10/79/02/411107902.db2.gz ZWOPXJXDRYICRI-MXWKQRLJSA-N 1 0 226.320 0.894 10 0 BCAERO [NH3+][C@H](CC(F)F)C(=O)N[C@H]1CCC[C@@H](O)C1 ZINC000309365041 411108050 /nfs/dbraw/zinc/10/80/50/411108050.db2.gz AGLQTDNSKIYKCH-XLPZGREQSA-N 1 0 236.262 0.389 10 0 BCAERO COCC[C@H](C)[NH2+][C@H]1CCC(=O)N[C@H]1C ZINC000336773958 411181317 /nfs/dbraw/zinc/18/13/17/411181317.db2.gz ZDFHQXMSFIVCOY-GUBZILKMSA-N 1 0 214.309 0.668 10 0 BCAERO CCCC(=O)N1CC[C@H]2OCC[NH2+][C@@H]2C1 ZINC000404073358 411182445 /nfs/dbraw/zinc/18/24/45/411182445.db2.gz PTOYQCQTRAVNEC-NXEZZACHSA-N 1 0 212.293 0.376 10 0 BCAERO CC[N@H+](C)C[C@H](O)CN1C[C@@H](C)C[C@H](O)C1 ZINC000401969621 411183754 /nfs/dbraw/zinc/18/37/54/411183754.db2.gz YEOCPPIBCNYRGN-SRVKXCTJSA-N 1 0 230.352 0.002 10 0 BCAERO C[C@@H]1C[C@H](NC(=O)[C@H]2CCC[C@H]2C[NH3+])CO1 ZINC000402055536 411193878 /nfs/dbraw/zinc/19/38/78/411193878.db2.gz OUYJSAHQVNVXND-RCWTZXSCSA-N 1 0 226.320 0.655 10 0 BCAERO C[C@@H]1C[C@H](NC(=O)[C@H]2CCC[C@@H]2C[NH3+])CO1 ZINC000402055538 411193902 /nfs/dbraw/zinc/19/39/02/411193902.db2.gz OUYJSAHQVNVXND-ZNSHCXBVSA-N 1 0 226.320 0.655 10 0 BCAERO CC(C)n1ccnc(N(C)[C@@H]2CC[NH2+]C2)c1=O ZINC000071311685 167770768 /nfs/dbraw/zinc/77/07/68/167770768.db2.gz FIMRKXZVXGWEBZ-SNVBAGLBSA-N 1 0 236.319 0.622 10 0 BCAERO COCCOCCNC(=O)C[C@H]([NH3+])C(C)C ZINC000129018536 411202970 /nfs/dbraw/zinc/20/29/70/411202970.db2.gz CMBUTCSINXSCDL-JTQLQIEISA-N 1 0 232.324 0.139 10 0 BCAERO COC[C@H](C)CNC(=O)C[C@H]([NH3+])C(C)C ZINC000129024210 411207848 /nfs/dbraw/zinc/20/78/48/411207848.db2.gz HKRRBRSBEKVWHF-ZJUUUORDSA-N 1 0 216.325 0.759 10 0 BCAERO CC(C)n1cnnc1CN1CC[NH2+]CC1 ZINC000054498075 167783783 /nfs/dbraw/zinc/78/37/83/167783783.db2.gz CZMXBTYRJDFJHT-UHFFFAOYSA-N 1 0 209.297 0.264 10 0 BCAERO Cn1ncc2c1CCC[C@@H]2[NH2+][C@@H]1CCNC1=O ZINC000658055155 411221730 /nfs/dbraw/zinc/22/17/30/411221730.db2.gz RVOBMZNPOKWYTP-VHSXEESVSA-N 1 0 234.303 0.276 10 0 BCAERO COC[C@@H]1CCN(C(=O)C[C@@H]([NH3+])C(C)C)C1 ZINC000129095303 411223536 /nfs/dbraw/zinc/22/35/36/411223536.db2.gz JEOKILNSAOASBS-GHMZBOCLSA-N 1 0 228.336 0.855 10 0 BCAERO CO[C@](C)(CO)C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000655785141 411225859 /nfs/dbraw/zinc/22/58/59/411225859.db2.gz KBJUGOWPSKBDCS-WGBDABJCSA-N 1 0 243.347 0.787 10 0 BCAERO CC(C)[C@@H]([NH3+])CC(=O)NCc1c[nH]cn1 ZINC000129113875 411230105 /nfs/dbraw/zinc/23/01/05/411230105.db2.gz AJNVCMGDZSKCLU-VIFPVBQESA-N 1 0 210.281 0.399 10 0 BCAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]CCO[C@@H]1CC1(F)F ZINC000660476322 411230642 /nfs/dbraw/zinc/23/06/42/411230642.db2.gz FJJQCMDCRLMQNT-XHNCKOQMSA-N 1 0 248.273 0.667 10 0 BCAERO CC(C)[C@@H](C)NC(=O)COC1CC[NH2+]CC1 ZINC000049308962 411231412 /nfs/dbraw/zinc/23/14/12/411231412.db2.gz MDNMKPMYLYUHIC-SNVBAGLBSA-N 1 0 228.336 0.916 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)N1C[C@H]2CC[C@@H](C1)O2 ZINC000129123687 411231855 /nfs/dbraw/zinc/23/18/55/411231855.db2.gz QSYUARXIKRLAMM-OUAUKWLOSA-N 1 0 226.320 0.750 10 0 BCAERO CC(C)[C@@H]([NH3+])CC(=O)N[C@H]1CCOC1 ZINC000129144919 411232408 /nfs/dbraw/zinc/23/24/08/411232408.db2.gz LWYJXDPJMDYBCZ-IUCAKERBSA-N 1 0 200.282 0.265 10 0 BCAERO CC[C@H](CCO)CNC(=O)C[C@H]([NH3+])C(C)C ZINC000129140142 411232952 /nfs/dbraw/zinc/23/29/52/411232952.db2.gz CVGLIPOIYYYFQW-MNOVXSKESA-N 1 0 230.352 0.885 10 0 BCAERO COCC1(C[N@@H+]2C[C@H](OC)C[C@H]2CO)CCC1 ZINC000310411008 411236604 /nfs/dbraw/zinc/23/66/04/411236604.db2.gz MJQKOXGPDXQCOP-NWDGAFQWSA-N 1 0 243.347 0.885 10 0 BCAERO CC(C)(C)[N@@H+]1CCN[C@@H](c2c[nH]nc2N)C1 ZINC000616632738 411240638 /nfs/dbraw/zinc/24/06/38/411240638.db2.gz YSMDXNPGVDUWCE-SECBINFHSA-N 1 0 223.324 0.737 10 0 BCAERO CC(C)[C@@H]([NH3+])CC(=O)Nc1nncs1 ZINC000128882762 411273141 /nfs/dbraw/zinc/27/31/41/411273141.db2.gz BXTUFKBTRKXTPE-LURJTMIESA-N 1 0 214.294 0.850 10 0 BCAERO CC(=O)c1csc(NC(=O)[C@@H]2CC[NH2+]C2)n1 ZINC000070886125 411275223 /nfs/dbraw/zinc/27/52/23/411275223.db2.gz JWBHGTUMDXMHNR-SSDOTTSWSA-N 1 0 239.300 0.894 10 0 BCAERO COCCCOCC[N@H+](C)[C@@H]1CCC[C@H]1O ZINC000660171633 411279682 /nfs/dbraw/zinc/27/96/82/411279682.db2.gz KPZWDKRSRMFAQD-VXGBXAGGSA-N 1 0 231.336 0.885 10 0 BCAERO Nc1cc([C@H]2CCN(CC[NH3+])C2)ccn1 ZINC000616611393 411287348 /nfs/dbraw/zinc/28/73/48/411287348.db2.gz CVAIBSTYNFCABZ-JTQLQIEISA-N 1 0 206.293 0.412 10 0 BCAERO CN1CCC[C@@H]([NH2+][C@@H]2CCCC[C@H]2O)C1 ZINC000656507267 411287431 /nfs/dbraw/zinc/28/74/31/411287431.db2.gz NZMROSAWTSQJLS-IJLUTSLNSA-N 1 0 212.337 0.974 10 0 BCAERO Nc1ccc([C@H]2COCCCN2CC[NH3+])cn1 ZINC000616598413 411287675 /nfs/dbraw/zinc/28/76/75/411287675.db2.gz YYZQLUBPAOUGKE-LLVKDONJSA-N 1 0 236.319 0.386 10 0 BCAERO Nc1ccc([C@H]2CCCN2CC[NH3+])cn1 ZINC000616607662 411287798 /nfs/dbraw/zinc/28/77/98/411287798.db2.gz KUYQRNLIMAUYGA-SNVBAGLBSA-N 1 0 206.293 0.759 10 0 BCAERO C[C@H]1[NH2+]CCC[C@@H]1C(=O)Nc1cncnc1 ZINC000384529156 411295019 /nfs/dbraw/zinc/29/50/19/411295019.db2.gz JSACTNQIDIBASB-SCZZXKLOSA-N 1 0 220.276 0.803 10 0 BCAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)N(C)Cc1nc(C)no1 ZINC000655527362 411306842 /nfs/dbraw/zinc/30/68/42/411306842.db2.gz PHWLKKVARYAGRA-GMSGAONNSA-N 1 0 240.307 0.710 10 0 BCAERO Cc1noc(CN(C)C(=O)[C@@H]2C[NH2+]C[C@H]2C)n1 ZINC000655527261 411307340 /nfs/dbraw/zinc/30/73/40/411307340.db2.gz MIDRTARLHOENIU-VXNVDRBHSA-N 1 0 238.291 0.192 10 0 BCAERO CCN(C(=O)[C@@H]1CC[NH2+]C1)[C@@H]1CCCOC1 ZINC000402666517 411307660 /nfs/dbraw/zinc/30/76/60/411307660.db2.gz AYALDIKMPXHFGV-GHMZBOCLSA-N 1 0 226.320 0.623 10 0 BCAERO C[C@H]([NH2+]C[C@H]1CC(=O)N(C)C1)[C@H]1CCCO1 ZINC000658239297 411308185 /nfs/dbraw/zinc/30/81/85/411308185.db2.gz MBURXOKBEIXFBC-HBNTYKKESA-N 1 0 226.320 0.622 10 0 BCAERO Cc1cc2c(N3CC4CC3(C[NH3+])C4)nccn2n1 ZINC000656610728 411308579 /nfs/dbraw/zinc/30/85/79/411308579.db2.gz HOMRZDXHHIJODW-UHFFFAOYSA-N 1 0 243.314 0.965 10 0 BCAERO CC[C@H](COC)[NH2+]C[C@@H]1CC(=O)N(C)C1 ZINC000658240558 411308935 /nfs/dbraw/zinc/30/89/35/411308935.db2.gz BDWFKSYYGZBRDC-VHSXEESVSA-N 1 0 214.309 0.479 10 0 BCAERO CN1C[C@H](C[NH2+][C@H]2COC3(CCC3)C2)CC1=O ZINC000658240851 411309055 /nfs/dbraw/zinc/30/90/55/411309055.db2.gz KDWKFHUMPMGUGK-WDEREUQCSA-N 1 0 238.331 0.766 10 0 BCAERO COC[C@H]([NH2+]C[C@@H]1CC(=O)N(C)C1)C1CC1 ZINC000658242631 411309322 /nfs/dbraw/zinc/30/93/22/411309322.db2.gz JXXUYYLYVMYRGX-ONGXEEELSA-N 1 0 226.320 0.479 10 0 BCAERO COC[C@H]([NH2+]C[C@H]1CC(=O)N(C)C1)C(C)C ZINC000658245736 411311315 /nfs/dbraw/zinc/31/13/15/411311315.db2.gz ZYAUIEMXRLOBBM-MNOVXSKESA-N 1 0 228.336 0.725 10 0 BCAERO CC1(C)CCN(S(=O)(=O)CCC[NH3+])CC1 ZINC000061820436 167923204 /nfs/dbraw/zinc/92/32/04/167923204.db2.gz FLODOGAAWSDFGF-UHFFFAOYSA-N 1 0 234.365 0.787 10 0 BCAERO CC[C@@H](C)NC(=O)[C@H](C)n1cc(C[NH3+])nn1 ZINC000050224656 411254219 /nfs/dbraw/zinc/25/42/19/411254219.db2.gz RKLUXTHOGDSQDY-SFYZADRCSA-N 1 0 225.296 0.213 10 0 BCAERO CC[C@@H](C)NC(=O)[C@@H](C)n1cc(C[NH3+])nn1 ZINC000050224654 411254694 /nfs/dbraw/zinc/25/46/94/411254694.db2.gz RKLUXTHOGDSQDY-HTQZYQBOSA-N 1 0 225.296 0.213 10 0 BCAERO CN(Cc1cn[nH]c1)C(=O)C[C@H]1CCC[NH2+]C1 ZINC000070230207 411257253 /nfs/dbraw/zinc/25/72/53/411257253.db2.gz JCKJCKYKFNCZKV-SNVBAGLBSA-N 1 0 236.319 0.758 10 0 BCAERO CC1(C)CN(C(=O)C2(C[NH3+])CC2)CCO1 ZINC000082641881 167943883 /nfs/dbraw/zinc/94/38/83/167943883.db2.gz RABABRVCGDSBNT-UHFFFAOYSA-N 1 0 212.293 0.363 10 0 BCAERO Cc1nc(CNC(=O)[C@@H]2CC[NH2+]C2)cs1 ZINC000062116366 411349366 /nfs/dbraw/zinc/34/93/66/411349366.db2.gz VMHCPWDLNWBEHN-MRVPVSSYSA-N 1 0 225.317 0.677 10 0 BCAERO CC(C)(C)[C@H](O)C[NH2+]CCCn1ccnn1 ZINC000304258308 411356783 /nfs/dbraw/zinc/35/67/83/411356783.db2.gz SOABPHMSTXSHBM-SNVBAGLBSA-N 1 0 226.324 0.665 10 0 BCAERO C[C@@H]1C[N@@H+]([C@@H]2CCC[C@H]2O)C[C@]1(C)CO ZINC000662141968 411366783 /nfs/dbraw/zinc/36/67/83/411366783.db2.gz IRPLOEOCWYBFGA-DDHJBXDOSA-N 1 0 213.321 0.850 10 0 BCAERO [NH3+]Cc1ccc(NC(=O)N[C@@H]2CCNC2=O)cc1 ZINC000659021269 411367350 /nfs/dbraw/zinc/36/73/50/411367350.db2.gz HTEUZGNZRDKRHA-SNVBAGLBSA-N 1 0 248.286 0.155 10 0 BCAERO O=C(N[C@@H]1CCC[C@@H](O)C1)[C@@H]1CC[NH2+]C1 ZINC000062113116 411346935 /nfs/dbraw/zinc/34/69/35/411346935.db2.gz WWGAIBPYRKYLQQ-OPRDCNLKSA-N 1 0 212.293 0.016 10 0 BCAERO OC1(C[N@@H+]2CC[C@@H]3COC[C@@H]3C2)CCC1 ZINC000662031249 411347888 /nfs/dbraw/zinc/34/78/88/411347888.db2.gz RDOOBGLRTDXKQA-MNOVXSKESA-N 1 0 211.305 0.870 10 0 BCAERO CC1(CNc2ccc(C(N)=O)nn2)CC[NH2+]CC1 ZINC000129448018 168048819 /nfs/dbraw/zinc/04/88/19/168048819.db2.gz LMXUJLZXGNCDDR-UHFFFAOYSA-N 1 0 249.318 0.377 10 0 BCAERO O[C@@H]1CCC[C@H]1[N@@H+]1CC[C@H]2COC[C@H]2C1 ZINC000662031265 411348547 /nfs/dbraw/zinc/34/85/47/411348547.db2.gz RIEDSGLJKZPXID-IRCOFANPSA-N 1 0 211.305 0.868 10 0 BCAERO CC(C)([NH3+])c1cn([C@@H]2CCCC[C@@H]2O)nn1 ZINC000069680198 411380908 /nfs/dbraw/zinc/38/09/08/411380908.db2.gz SRBGHCBNPGPSEA-BDAKNGLRSA-N 1 0 224.308 0.948 10 0 BCAERO C[C@H](C(=O)N(C)C)n1cc(C(C)(C)[NH3+])nn1 ZINC000069679721 411380970 /nfs/dbraw/zinc/38/09/70/411380970.db2.gz NMKYHYUZHDASCK-SSDOTTSWSA-N 1 0 225.296 0.121 10 0 BCAERO C[C@@H]([NH2+]C1(CO)CCC(C)CC1)C(N)=O ZINC000053118693 168156764 /nfs/dbraw/zinc/15/67/64/168156764.db2.gz YXHIPLPOACSGQJ-INWMGODYSA-N 1 0 214.309 0.391 10 0 BCAERO CC1CCC(CO)([NH+]2CCNCC2)CC1 ZINC000038120608 168157062 /nfs/dbraw/zinc/15/70/62/168157062.db2.gz VSDKIUKWUGJMRV-UHFFFAOYSA-N 1 0 212.337 0.833 10 0 BCAERO CC1CCC2(CC1)NC(=O)N(CCC[NH3+])C2=O ZINC000019386070 168169916 /nfs/dbraw/zinc/16/99/16/168169916.db2.gz JMKAZKAKYWAGGL-UHFFFAOYSA-N 1 0 239.319 0.836 10 0 BCAERO [NH3+]CCN1CCCC[C@H]1c1cncnc1 ZINC000616615873 411390490 /nfs/dbraw/zinc/39/04/90/411390490.db2.gz DBDHZJYTALRKFB-NSHDSACASA-N 1 0 206.293 0.962 10 0 BCAERO C[C@@H]1OCC[C@H]1NC(=O)C1([NH3+])CC2(CCC2)C1 ZINC000659307619 411391587 /nfs/dbraw/zinc/39/15/87/411391587.db2.gz SOBMMCJJFUQLDR-VHSXEESVSA-N 1 0 238.331 0.942 10 0 BCAERO CCC(=O)N1C[C@H](C[NH3+])OCC1(C)C ZINC000011887649 168226986 /nfs/dbraw/zinc/22/69/86/168226986.db2.gz YKIVQBFIQIDIRU-QMMMGPOBSA-N 1 0 200.282 0.361 10 0 BCAERO CCC(=O)Nc1nc(C2CC[NH2+]CC2)nn1C ZINC000262314455 168248764 /nfs/dbraw/zinc/24/87/64/168248764.db2.gz BBXZDRQTIZSJFF-UHFFFAOYSA-N 1 0 237.307 0.631 10 0 BCAERO CCC(C)(C)C(=O)N(C)[C@@H]1C[NH2+]C[C@H]1O ZINC000054403808 168262032 /nfs/dbraw/zinc/26/20/32/168262032.db2.gz SUGNFAVNGIBSJM-RKDXNWHRSA-N 1 0 214.309 0.214 10 0 BCAERO COCC[C@H](C)[N@@H+]1CC[C@@H]2OCCN[C@@H]2C1 ZINC000404273796 411387275 /nfs/dbraw/zinc/38/72/75/411387275.db2.gz RGXFXESXGXQDMZ-TUAOUCFPSA-N 1 0 228.336 0.474 10 0 BCAERO CCC(C)(C)NC(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000020433752 168295163 /nfs/dbraw/zinc/29/51/63/168295163.db2.gz IVJBUFGACWZJHO-YUMQZZPRSA-N 1 0 200.282 0.014 10 0 BCAERO CCC(C)(C)[NH2+]CC(=O)N1CCN(C)CC1 ZINC000020036123 168298255 /nfs/dbraw/zinc/29/82/55/168298255.db2.gz AUXDUTROZVACBE-UHFFFAOYSA-N 1 0 227.352 0.539 10 0 BCAERO CCC(C)(C)[NH2+][C@H](C)C(=O)NC(N)=O ZINC000020309292 168301713 /nfs/dbraw/zinc/30/17/13/168301713.db2.gz UYJJGNDCOUSQHY-ZCFIWIBFSA-N 1 0 201.270 0.348 10 0 BCAERO C[C@H]([NH3+])[C@@H]1CN(c2ccc(F)cn2)CCO1 ZINC000126794548 411459017 /nfs/dbraw/zinc/45/90/17/411459017.db2.gz VDDKXMSTBKDDEQ-WPRPVWTQSA-N 1 0 225.267 0.773 10 0 BCAERO COc1cccc(OCCn2cc(C[NH3+])nn2)c1 ZINC000052655140 411396577 /nfs/dbraw/zinc/39/65/77/411396577.db2.gz HUCQIFGWLUQGQO-UHFFFAOYSA-N 1 0 248.286 0.824 10 0 BCAERO COC[C@H](CCNC(=O)[C@@H]1CC[C@H]([NH3+])C1)OC ZINC000659338276 411398816 /nfs/dbraw/zinc/39/88/16/411398816.db2.gz WNFUOKABCSPFCY-VWYCJHECSA-N 1 0 244.335 0.282 10 0 BCAERO COCC1(N(C)C(=O)[C@@H]2CC[NH2+]C2)CC1 ZINC000659339164 411398821 /nfs/dbraw/zinc/39/88/21/411398821.db2.gz TYLYUERBYMBBNZ-SECBINFHSA-N 1 0 212.293 0.233 10 0 BCAERO [NH3+][C@@H]1CC[C@H](C(=O)NCCO[C@@H]2CC2(F)F)C1 ZINC000659345398 411400518 /nfs/dbraw/zinc/40/05/18/411400518.db2.gz KLFAREPWASEUBK-DJLDLDEBSA-N 1 0 248.273 0.654 10 0 BCAERO C[C@H]1CCC[C@H](CNC(=O)[C@H]2CC[NH2+]C2)O1 ZINC000659360077 411402659 /nfs/dbraw/zinc/40/26/59/411402659.db2.gz ADZHZUZSPQIVIW-GARJFASQSA-N 1 0 226.320 0.670 10 0 BCAERO C[C@@H]1CCC[C@@H](CNC(=O)[C@H]2CC[NH2+]C2)O1 ZINC000659360084 411402900 /nfs/dbraw/zinc/40/29/00/411402900.db2.gz ADZHZUZSPQIVIW-VWYCJHECSA-N 1 0 226.320 0.670 10 0 BCAERO CCN(CCO)C(=O)[C@@H]1CCCC[C@H]1[NH3+] ZINC000055088357 169849448 /nfs/dbraw/zinc/84/94/48/169849448.db2.gz YJWQYZJYPGRQKI-NXEZZACHSA-N 1 0 214.309 0.345 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N1CCC2(CC2(F)F)CC1 ZINC000405038001 411414809 /nfs/dbraw/zinc/41/48/09/411414809.db2.gz AIKYWNYLWKRKHP-MRVPVSSYSA-N 1 0 248.273 0.608 10 0 BCAERO CCOC(=O)[C@H]1CN(CC[NH3+])c2ccccc2N1 ZINC000616683816 411414881 /nfs/dbraw/zinc/41/48/81/411414881.db2.gz ISFXPAKZWSEONH-LLVKDONJSA-N 1 0 249.314 0.809 10 0 BCAERO CC(C)(C)[C@H](O)CNC(=O)C[NH2+]C1CC1 ZINC000305850541 411426426 /nfs/dbraw/zinc/42/64/26/411426426.db2.gz USWICLYJWCZGBI-SECBINFHSA-N 1 0 214.309 0.262 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)N[C@@H](C)c1cnn(C)c1 ZINC000305877112 411426900 /nfs/dbraw/zinc/42/69/00/411426900.db2.gz IBJYANVISUZGTE-GXSJLCMTSA-N 1 0 238.335 0.971 10 0 BCAERO [NH3+][C@@H]1CCC[C@H]1CC(=O)N[C@@H]1CCC[C@H](O)C1 ZINC000405404704 411427006 /nfs/dbraw/zinc/42/70/06/411427006.db2.gz XHOSATCGUKKMOF-WHOHXGKFSA-N 1 0 240.347 0.924 10 0 BCAERO Cc1c(C[NH2+]CCN2CCCC2=O)cnn1C ZINC000405384061 411427639 /nfs/dbraw/zinc/42/76/39/411427639.db2.gz LQLCZFMWTGSJAX-UHFFFAOYSA-N 1 0 236.319 0.441 10 0 BCAERO CCO[C@@H]1CN(c2nc(C)ns2)C[C@H]1C[NH3+] ZINC000405513493 411433149 /nfs/dbraw/zinc/43/31/49/411433149.db2.gz GOLUIHZSPFMLKQ-RKDXNWHRSA-N 1 0 242.348 0.647 10 0 BCAERO CCO[C@@H]1CN(c2ccccn2)C[C@H]1C[NH3+] ZINC000405527666 411433430 /nfs/dbraw/zinc/43/34/30/411433430.db2.gz LJQBQLFMBRALKD-GHMZBOCLSA-N 1 0 221.304 0.882 10 0 BCAERO CCO[C@@H]1CN(c2ncc(F)cn2)C[C@H]1C[NH3+] ZINC000405538367 411433845 /nfs/dbraw/zinc/43/38/45/411433845.db2.gz QEGGXSXZIHYWTC-PSASIEDQSA-N 1 0 240.282 0.416 10 0 BCAERO O=C(NCC1(CO)CCCCC1)[C@@H]1CC[NH2+]C1 ZINC000123242856 411439861 /nfs/dbraw/zinc/43/98/61/411439861.db2.gz JKBZNRJSEGOXRT-LLVKDONJSA-N 1 0 240.347 0.655 10 0 BCAERO CC(C)[C@@H](C)NC(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000131207553 411443728 /nfs/dbraw/zinc/44/37/28/411443728.db2.gz JBHHNELYMUFUGX-LLVKDONJSA-N 1 0 241.379 0.831 10 0 BCAERO Cc1c[nH]c(C[NH2+][C@H]2CCCN(CCO)C2)n1 ZINC000657352121 411473132 /nfs/dbraw/zinc/47/31/32/411473132.db2.gz RBOYYFJBVOBPQW-NSHDSACASA-N 1 0 238.335 0.264 10 0 BCAERO COC[C@H](C)NC(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000407355225 411480856 /nfs/dbraw/zinc/48/08/56/411480856.db2.gz NYFXKFGKDSECGC-LSJOCFKGSA-N 1 0 226.320 0.668 10 0 BCAERO CCN1CCC[C@H]([NH2+][C@@H]2CCN(C)C2)C1 ZINC000061989405 169975786 /nfs/dbraw/zinc/97/57/86/169975786.db2.gz SYZIBYUPKIUFJH-NWDGAFQWSA-N 1 0 211.353 0.764 10 0 BCAERO C[C@@H]1CN(C(=O)[C@@H]2CCCS2)C[C@H]1C[NH3+] ZINC000638916545 411514367 /nfs/dbraw/zinc/51/43/67/411514367.db2.gz SJVZRZCXFAPQLT-BBBLOLIVSA-N 1 0 228.361 0.935 10 0 BCAERO CCN1CCN(C(=O)C[C@@H]2CCC[NH2+]C2)CC1 ZINC000054290195 169983093 /nfs/dbraw/zinc/98/30/93/169983093.db2.gz GEHIHOZKQIDIIW-LBPRGKRZSA-N 1 0 239.363 0.540 10 0 BCAERO C[N@H+](Cc1cnccn1)[C@@H]1CCC[C@H]1O ZINC000659991324 411521895 /nfs/dbraw/zinc/52/18/95/411521895.db2.gz NXIWITZTWMTEGI-GHMZBOCLSA-N 1 0 207.277 0.822 10 0 BCAERO OC[C@@H]1C[N@H+](C[C@@H]2C[C@H]3C[C@H]3C2)CCO1 ZINC000659998971 411525103 /nfs/dbraw/zinc/52/51/03/411525103.db2.gz KYUMNQUKHBVRMF-USZNOCQGSA-N 1 0 211.305 0.726 10 0 BCAERO CC[N@@H+]1CC[C@@H](CNC(=O)c2cc(N)c[nH]2)C1 ZINC000037643548 170008636 /nfs/dbraw/zinc/00/86/36/170008636.db2.gz IFORVMDDRURLSW-VIFPVBQESA-N 1 0 236.319 0.669 10 0 BCAERO CC[N@@H+]1CCc2nc(N)cnc2C[C@H]1C ZINC000039101076 170025546 /nfs/dbraw/zinc/02/55/46/170025546.db2.gz DPJOXXIIOGDSEB-MRVPVSSYSA-N 1 0 206.293 0.868 10 0 BCAERO CCN1C[C@@H](C)[C@@H]([NH2+]Cc2cncn2C)C1 ZINC000336778138 170030232 /nfs/dbraw/zinc/03/02/32/170030232.db2.gz KLFJEDXVPZAUFD-PWSUYJOCSA-N 1 0 222.336 0.850 10 0 BCAERO CC[N@@H+]1C[C@@H](C)[C@H](NCc2ccn(C)n2)C1 ZINC000309482151 170031603 /nfs/dbraw/zinc/03/16/03/170031603.db2.gz UEMAHDQIUSSZEW-ZYHUDNBSSA-N 1 0 222.336 0.850 10 0 BCAERO CCN1C[C@H](C)[C@H]([NH2+]Cc2cncn2C)C1 ZINC000336778136 170038055 /nfs/dbraw/zinc/03/80/55/170038055.db2.gz KLFJEDXVPZAUFD-CMPLNLGQSA-N 1 0 222.336 0.850 10 0 BCAERO CC[N@@H+]1C[C@H](C)[C@H](NCc2ccn(C)n2)C1 ZINC000309482145 170038993 /nfs/dbraw/zinc/03/89/93/170038993.db2.gz UEMAHDQIUSSZEW-CMPLNLGQSA-N 1 0 222.336 0.850 10 0 BCAERO CCNC(=O)CC[N@H+](CCOCCO)C(C)C ZINC000302523564 170050532 /nfs/dbraw/zinc/05/05/32/170050532.db2.gz PPCVYIJKHYNDKD-UHFFFAOYSA-N 1 0 246.351 0.232 10 0 BCAERO CCNC(=O)CN(C)[C@@H](C[NH3+])c1ccccc1 ZINC000042899346 170054958 /nfs/dbraw/zinc/05/49/58/170054958.db2.gz RTZLLSUKFQCWPK-LBPRGKRZSA-N 1 0 235.331 0.754 10 0 BCAERO CCNC(=O)CN(CC)CC[NH2+]C(C)C ZINC000043500952 170056150 /nfs/dbraw/zinc/05/61/50/170056150.db2.gz KWQJGCJYPNEILD-UHFFFAOYSA-N 1 0 215.341 0.442 10 0 BCAERO CCNC(=O)C[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000116407530 170061070 /nfs/dbraw/zinc/06/10/70/170061070.db2.gz VXPSYOFPVJPZSA-JTQLQIEISA-N 1 0 236.319 0.346 10 0 BCAERO CCNC(=O)CN[C@@H](C)[C@H]1CCC[N@H+](CC)C1 ZINC000036780316 170064629 /nfs/dbraw/zinc/06/46/29/170064629.db2.gz WRHHPGNSXYPULV-RYUDHWBXSA-N 1 0 241.379 0.833 10 0 BCAERO CCNC(=O)C[NH2+][C@@H]1CCCC[C@@H]1O ZINC000037691522 170065649 /nfs/dbraw/zinc/06/56/49/170065649.db2.gz XFLBJMOCMLBSQD-BDAKNGLRSA-N 1 0 200.282 0.016 10 0 BCAERO CCNC(=O)N1CC[NH+](CC2(O)CCC2)CC1 ZINC000336458148 170073824 /nfs/dbraw/zinc/07/38/24/170073824.db2.gz BRMKIXZGMZZXMV-UHFFFAOYSA-N 1 0 241.335 0.249 10 0 BCAERO CCNC(=O)[C@@H](C)[N@H+](C)CCCC(=O)OC ZINC000050065189 170086364 /nfs/dbraw/zinc/08/63/64/170086364.db2.gz OHQMZBLQFVWWHX-SECBINFHSA-N 1 0 230.308 0.396 10 0 BCAERO CCNC(=O)[C@H](C)[NH2+]C1CCC(C(N)=O)CC1 ZINC000038091922 170094637 /nfs/dbraw/zinc/09/46/37/170094637.db2.gz GNAAAAPJFUBCBW-IDKOKCKLSA-N 1 0 241.335 0.145 10 0 BCAERO CCNC(=O)[C@H](C)[NH2+][C@@H]1CN2CCC1CC2 ZINC000020306793 170095771 /nfs/dbraw/zinc/09/57/71/170095771.db2.gz GMDSESJDZAFKOX-GXSJLCMTSA-N 1 0 225.336 0.195 10 0 BCAERO CCNC(=O)[C@H](C)O[C@H]1CCC[NH2+]C1 ZINC000020422768 170096753 /nfs/dbraw/zinc/09/67/53/170096753.db2.gz PASJTPWLZVAAAK-IUCAKERBSA-N 1 0 200.282 0.280 10 0 BCAERO CCNC(=O)c1cc(NCC[C@@H](C)[NH3+])ccn1 ZINC000063171594 170100925 /nfs/dbraw/zinc/10/09/25/170100925.db2.gz GBCCTNZXFWWANB-SECBINFHSA-N 1 0 236.319 0.981 10 0 BCAERO CCNC(=S)N[C@H]1C[NH+]2CCC1CC2 ZINC000135779494 170105955 /nfs/dbraw/zinc/10/59/55/170105955.db2.gz DLNHTXZQZMDTOR-VIFPVBQESA-N 1 0 213.350 0.565 10 0 BCAERO CC[NH2+]C(C)(C)C(=O)N1CCC[C@@H](CO)C1 ZINC000061289716 170106417 /nfs/dbraw/zinc/10/64/17/170106417.db2.gz LLHGIMZXGRPSLK-SNVBAGLBSA-N 1 0 228.336 0.605 10 0 BCAERO CC[NH2+]C(C)(C)C(=O)N[C@H]1CCC[C@@H](O)C1 ZINC000061289997 170107289 /nfs/dbraw/zinc/10/72/89/170107289.db2.gz LTUVQRZZHIBSOJ-VHSXEESVSA-N 1 0 228.336 0.794 10 0 BCAERO CC[NH2+]C(C)(C)C(=O)Nc1cnn(C)c1 ZINC000061289245 170107506 /nfs/dbraw/zinc/10/75/06/170107506.db2.gz WZKJRBVKSVVVFF-UHFFFAOYSA-N 1 0 210.281 0.747 10 0 BCAERO CC[NH2+]C1CCN(CC(=O)N[C@H](C)CC)CC1 ZINC000037537020 170108403 /nfs/dbraw/zinc/10/84/03/170108403.db2.gz VVEBCGIOPXWKJL-LLVKDONJSA-N 1 0 241.379 0.975 10 0 BCAERO CC[NH2+]C1CCN(CCN2CCNC2=O)CC1 ZINC000037537028 170108425 /nfs/dbraw/zinc/10/84/25/170108425.db2.gz NTLMJESYSKUOPO-UHFFFAOYSA-N 1 0 240.351 0.086 10 0 BCAERO CCNC1(C(N)=O)CC[NH+](C(C)C)CC1 ZINC000037869495 170108858 /nfs/dbraw/zinc/10/88/58/170108858.db2.gz SGRAPYUEDYMEGH-UHFFFAOYSA-N 1 0 213.325 0.324 10 0 BCAERO CC[NH2+]C1(C(=O)[O-])C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000037181668 170108902 /nfs/dbraw/zinc/10/89/02/170108902.db2.gz AYKBMFCJKZOSSV-SLHIUPAKSA-N 1 0 212.293 0.676 10 0 BCAERO CC[NH2+]C1CCN(S(C)(=O)=O)CC1 ZINC000036828484 170109180 /nfs/dbraw/zinc/10/91/80/170109180.db2.gz IKNFCHJCVGOGSM-UHFFFAOYSA-N 1 0 206.311 0.020 10 0 BCAERO CC[NH2+]CCC(=O)N1C[C@H](C)OC[C@H]1C ZINC000061289302 170111822 /nfs/dbraw/zinc/11/18/22/170111822.db2.gz LFFOGJDFVOIKDK-ZJUUUORDSA-N 1 0 214.309 0.622 10 0 BCAERO CC[NH2+]CCC(=O)N1CCSCC1 ZINC000061288328 170112117 /nfs/dbraw/zinc/11/21/17/170112117.db2.gz DEZSMPVKNIQLEQ-UHFFFAOYSA-N 1 0 202.323 0.561 10 0 BCAERO CC[NH2+]CCCNc1ccc(C(=O)OC)nn1 ZINC000038043512 170112428 /nfs/dbraw/zinc/11/24/28/170112428.db2.gz BMLPBSLOQLLYKU-UHFFFAOYSA-N 1 0 238.291 0.675 10 0 BCAERO CC[NH2+]CCCNc1cc(C)nc2ncnn21 ZINC000038043412 170112611 /nfs/dbraw/zinc/11/26/11/170112611.db2.gz JHIWPMRQJOJERM-UHFFFAOYSA-N 1 0 234.307 0.844 10 0 BCAERO CC[NH2+]CCN1C(=O)NC2(CCCC2)C1=O ZINC000042410119 170113790 /nfs/dbraw/zinc/11/37/90/170113790.db2.gz COZXDANNNNRAEL-UHFFFAOYSA-N 1 0 225.292 0.461 10 0 BCAERO CC[NH2+]CCN1CCCC[C@H]1CCO ZINC000042409295 170113811 /nfs/dbraw/zinc/11/38/11/170113811.db2.gz AIGCCNXNDGHDAE-NSHDSACASA-N 1 0 200.326 0.833 10 0 BCAERO CC[NH2+]CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000105222918 170113889 /nfs/dbraw/zinc/11/38/89/170113889.db2.gz UHMHFZDTYOGOME-NXEZZACHSA-N 1 0 224.304 0.771 10 0 BCAERO CC[NH2+]CCN1C(=O)CC2(CCCC2)C1=O ZINC000054267968 170113911 /nfs/dbraw/zinc/11/39/11/170113911.db2.gz CJGKBDLJEMGPEM-UHFFFAOYSA-N 1 0 224.304 0.915 10 0 BCAERO CC[NH2+]C[C@@H]1CC12CCS(=O)(=O)CC2 ZINC000054591741 170119991 /nfs/dbraw/zinc/11/99/91/170119991.db2.gz ASPUOMJNDPGHNM-VIFPVBQESA-N 1 0 217.334 0.811 10 0 BCAERO CC[NH2+]C[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000037871991 170120496 /nfs/dbraw/zinc/12/04/96/170120496.db2.gz OOFOIMKJVDRYED-LLVKDONJSA-N 1 0 243.328 0.733 10 0 BCAERO CC[NH2+]C[C@H](C)C(=O)NCc1ccnc(C)n1 ZINC000061266250 170122290 /nfs/dbraw/zinc/12/22/90/170122290.db2.gz CGVIQIMRHFFVHF-VIFPVBQESA-N 1 0 236.319 0.647 10 0 BCAERO CC[NH2+]Cc1c(C)nn(CCC(N)=O)c1C ZINC000036868620 170124241 /nfs/dbraw/zinc/12/42/41/170124241.db2.gz BIBQCYQPPKYXAV-UHFFFAOYSA-N 1 0 224.308 0.485 10 0 BCAERO CCNS(=O)(=O)c1cccc2c1CC[NH2+]C2 ZINC000036201431 170137291 /nfs/dbraw/zinc/13/72/91/170137291.db2.gz ALRIGEYLLAQUCW-UHFFFAOYSA-N 1 0 240.328 0.631 10 0 BCAERO CC[NH2+][C@@H](C(N)=O)c1ccc(OC)c(O)c1 ZINC000037869600 170137945 /nfs/dbraw/zinc/13/79/45/170137945.db2.gz ASHSRDAEWDAPOC-SNVBAGLBSA-N 1 0 224.260 0.537 10 0 BCAERO CC[NH2+][C@@H](C)CCCN1CCN(C)C(=O)C1=O ZINC000061797664 170139116 /nfs/dbraw/zinc/13/91/16/170139116.db2.gz IOGMHPSJKNSLAJ-JTQLQIEISA-N 1 0 241.335 0.065 10 0 BCAERO CC[NH2+][C@@H](C)Cc1nnc2ccc(C)nn21 ZINC000061212808 170140212 /nfs/dbraw/zinc/14/02/12/170140212.db2.gz WINBNFXGJQCNNX-VIFPVBQESA-N 1 0 219.292 0.973 10 0 BCAERO CC[NH2+][C@@H](C)[C@@H]1CCCN(CC(=O)N(C)C)C1 ZINC000104417298 170141356 /nfs/dbraw/zinc/14/13/56/170141356.db2.gz ZTQZGJDIVDNJAI-NWDGAFQWSA-N 1 0 241.379 0.785 10 0 BCAERO CC[NH2+][C@@H](CC)[C@@H]1CCS(=O)(=O)C1 ZINC000043300853 170144151 /nfs/dbraw/zinc/14/41/51/170144151.db2.gz CIRBBQWMGHIWPV-BDAKNGLRSA-N 1 0 205.323 0.809 10 0 BCAERO CC[NH2+][C@@H](CCn1nc(C)c(C)c1C)C(N)=O ZINC000062536608 170144676 /nfs/dbraw/zinc/14/46/76/170144676.db2.gz DJMUNXHHCXYOGA-NSHDSACASA-N 1 0 238.335 0.662 10 0 BCAERO CC[NH2+][C@@H]1CCN(C[C@@H]2COCCO2)[C@H](C)C1 ZINC000049713117 170151330 /nfs/dbraw/zinc/15/13/30/170151330.db2.gz BZKQVMMAELLIEP-JHJVBQTASA-N 1 0 242.363 0.864 10 0 BCAERO CC[NH2+][C@@](C)(CN1CC[C@H]([NH+](C)C)C1)C(=O)[O-] ZINC000062968747 170154728 /nfs/dbraw/zinc/15/47/28/170154728.db2.gz PDRABSPPBPFNPM-JQWIXIFHSA-N 1 0 243.351 0.075 10 0 BCAERO CC[NH2+][C@H](C)CC(=O)N1CCC[C@@H](O)C1 ZINC000061269586 170156959 /nfs/dbraw/zinc/15/69/59/170156959.db2.gz IPPVJGAQEZNQJP-NXEZZACHSA-N 1 0 214.309 0.358 10 0 BCAERO CC[NH2+][C@H](C)[C@H]1CCCN(CC(=O)N(C)C)C1 ZINC000104417306 170158916 /nfs/dbraw/zinc/15/89/16/170158916.db2.gz ZTQZGJDIVDNJAI-NEPJUHHUSA-N 1 0 241.379 0.785 10 0 BCAERO CC[NH2+][C@H](CCN1CCc2ccccc21)C(N)=O ZINC000062439246 170161414 /nfs/dbraw/zinc/16/14/14/170161414.db2.gz ZYIKTEDFKLQVCL-GFCCVEGCSA-N 1 0 247.342 0.903 10 0 BCAERO CC[NH2+][C@H]1CCC2(C[C@@H]1N(C)C)OCCO2 ZINC000043816101 170165893 /nfs/dbraw/zinc/16/58/93/170165893.db2.gz KMZDAHAGUNFWIN-QWRGUYRKSA-N 1 0 228.336 0.822 10 0 BCAERO CC[NH2+][C@H]1CCN(C[C@@H]2CCOC2)C1=O ZINC000061146774 170168001 /nfs/dbraw/zinc/16/80/01/170168001.db2.gz OTPZCMDNHQEIJY-UWVGGRQHSA-N 1 0 212.293 0.233 10 0 BCAERO CC[NH2+][C@H]1CCN(C[C@H]2CCCO2)C1=O ZINC000049647102 170168052 /nfs/dbraw/zinc/16/80/52/170168052.db2.gz ITDOTZSEVNGPIA-ZJUUUORDSA-N 1 0 212.293 0.376 10 0 BCAERO CC[NH2+][C@]1(C(N)=O)CCOc2ccccc21 ZINC000037869469 170170208 /nfs/dbraw/zinc/17/02/08/170170208.db2.gz VXKLDRPYFUILJU-GFCCVEGCSA-N 1 0 220.272 0.759 10 0 BCAERO CCOC(=O)CCCNC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000091540730 170201939 /nfs/dbraw/zinc/20/19/39/170201939.db2.gz CMMUUUYKOXUFJF-ZJUUUORDSA-N 1 0 242.319 0.573 10 0 BCAERO CCOC(=O)CN(CC(C)C)C(=O)C1C[NH2+]C1 ZINC000091411333 170215515 /nfs/dbraw/zinc/21/55/15/170215515.db2.gz ZCAPYXXFELXRSB-UHFFFAOYSA-N 1 0 242.319 0.254 10 0 BCAERO CCOC(=O)CNC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000084309760 170224223 /nfs/dbraw/zinc/22/42/23/170224223.db2.gz PQOGQVJFMFWGDF-RKDXNWHRSA-N 1 0 228.292 0.041 10 0 BCAERO CCOC(=O)N[C@@H](C[NH3+])c1ccccn1 ZINC000019414979 170243171 /nfs/dbraw/zinc/24/31/71/170243171.db2.gz JRBNFDNOLDVQQP-VIFPVBQESA-N 1 0 209.249 0.828 10 0 BCAERO CCOC(=O)N[C@@H](C[NH3+])c1ccncc1 ZINC000019421764 170243322 /nfs/dbraw/zinc/24/33/22/170243322.db2.gz OMGLGIHWPSAEDK-VIFPVBQESA-N 1 0 209.249 0.828 10 0 BCAERO CCOC(=O)[C@@H](C)C[NH2+][C@@H](C)c1nncn1C ZINC000050418183 170245859 /nfs/dbraw/zinc/24/58/59/170245859.db2.gz DRAVHEHWLQXRLD-IUCAKERBSA-N 1 0 240.307 0.665 10 0 BCAERO CCOC(=O)[C@@H](N)CC[N@@H+]1CC[C@H](C)C1 ZINC000062454174 170252085 /nfs/dbraw/zinc/25/20/85/170252085.db2.gz WFFLELUKGSLUQY-UWVGGRQHSA-N 1 0 214.309 0.609 10 0 BCAERO CCOC(=O)[C@@H](N)CC[N@H+](C)CC1CC1 ZINC000062452918 170252479 /nfs/dbraw/zinc/25/24/79/170252479.db2.gz IYVBVZPTODCUSL-JTQLQIEISA-N 1 0 214.309 0.609 10 0 BCAERO CCOC(=O)[C@@H](N)C[N@H+](C)C(CC)CC ZINC000045391219 170253074 /nfs/dbraw/zinc/25/30/74/170253074.db2.gz AEYGHJLNIXRDTG-JTQLQIEISA-N 1 0 216.325 0.997 10 0 BCAERO CCOC(=O)[C@H](C)CNC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000236960967 170264872 /nfs/dbraw/zinc/26/48/72/170264872.db2.gz JCAUBYAYLVVHBL-OPRDCNLKSA-N 1 0 242.319 0.429 10 0 BCAERO CCOC(=O)[C@H](N)C[N@H+](C)C[C@@H](C)CC ZINC000222951673 170274843 /nfs/dbraw/zinc/27/48/43/170274843.db2.gz ZWAQLSKAUCKUPA-VHSXEESVSA-N 1 0 216.325 0.855 10 0 BCAERO CCOC(=O)[C@H](N)C[N@@H+]1CCC[C@@H]1C ZINC000045367624 170274949 /nfs/dbraw/zinc/27/49/49/170274949.db2.gz JLUJZEMYOPRDET-DTWKUNHWSA-N 1 0 200.282 0.361 10 0 BCAERO CCOC(=O)[C@H](N)C[N@@H+]1CCCC[C@@H]1C ZINC000045375988 170275326 /nfs/dbraw/zinc/27/53/26/170275326.db2.gz MAGUHWAHJNPPOH-VHSXEESVSA-N 1 0 214.309 0.751 10 0 BCAERO CCOC(=O)[C@H]1CCCCN1C(=O)C[C@@H](C)[NH3+] ZINC000037825339 170279500 /nfs/dbraw/zinc/27/95/00/170279500.db2.gz XACYCVFDZYQETI-NXEZZACHSA-N 1 0 242.319 0.668 10 0 BCAERO CCOC(=O)c1cnc(CC[NH3+])nc1Cl ZINC000095757389 170301450 /nfs/dbraw/zinc/30/14/50/170301450.db2.gz COPRSZJXTZMFAS-UHFFFAOYSA-N 1 0 229.667 0.808 10 0 BCAERO CCOC(=O)c1ncc2c(n1)CC[NH2+]C2 ZINC000095642178 170307683 /nfs/dbraw/zinc/30/76/83/170307683.db2.gz VBFMWGCWTSTHML-UHFFFAOYSA-N 1 0 207.233 0.299 10 0 BCAERO CCOC(C[N@@H+]1C[C@H](OC)C[C@H]1CO)OCC ZINC000368489507 170316204 /nfs/dbraw/zinc/31/62/04/170316204.db2.gz BOGVQOWYEYOSJD-WDEREUQCSA-N 1 0 247.335 0.467 10 0 BCAERO CCOCC(=O)N1CCCC[C@H]1C[NH3+] ZINC000044541325 170340577 /nfs/dbraw/zinc/34/05/77/170340577.db2.gz VAXSODOBFIMCBS-VIFPVBQESA-N 1 0 200.282 0.363 10 0 BCAERO CCOCC(=O)N[C@H]1CCCC[C@@H]1[NH3+] ZINC000038049041 170347526 /nfs/dbraw/zinc/34/75/26/170347526.db2.gz RWSIRRRVOJSUIJ-IUCAKERBSA-N 1 0 200.282 0.409 10 0 BCAERO CCOCCC(=O)N1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC000053733006 170359764 /nfs/dbraw/zinc/35/97/64/170359764.db2.gz ISSOGDWEGBTVTA-VHSXEESVSA-N 1 0 212.293 0.233 10 0 BCAERO CCOCCC(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000061883703 170362050 /nfs/dbraw/zinc/36/20/50/170362050.db2.gz DAJQTMLPSWXJSN-NXEZZACHSA-N 1 0 214.309 0.657 10 0 BCAERO CCOCCOCC(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000236909972 170418695 /nfs/dbraw/zinc/41/86/95/170418695.db2.gz GPDFAJYWCNEORO-GHMZBOCLSA-N 1 0 244.335 0.283 10 0 BCAERO C[C@@](O)(C[NH2+]C1CC(CO)C1)C(F)(F)F ZINC000663374204 411640398 /nfs/dbraw/zinc/64/03/98/411640398.db2.gz HXVBUXJWAXNFKE-KAVNDROISA-N 1 0 227.226 0.660 10 0 BCAERO Cc1cc(NCC2([NH3+])CCOCC2)ncn1 ZINC000630524390 411644991 /nfs/dbraw/zinc/64/49/91/411644991.db2.gz NNQHUFWRCJMUPY-UHFFFAOYSA-N 1 0 222.292 0.705 10 0 BCAERO CN1C[C@@H](C[NH2+]Cc2cccc(O)c2)CC1=O ZINC000657693717 411579692 /nfs/dbraw/zinc/57/96/92/411579692.db2.gz GIYQIRCXPQBQTB-LLVKDONJSA-N 1 0 234.299 0.960 10 0 BCAERO Cc1ncc(C[NH2+]C[C@@H]2CC(=O)N(C)C2)n1C ZINC000657696280 411581044 /nfs/dbraw/zinc/58/10/44/411581044.db2.gz GWOJKVUJROFCLV-JTQLQIEISA-N 1 0 236.319 0.296 10 0 BCAERO CN1C[C@@H](C[NH2+]Cc2ccc(CO)o2)CC1=O ZINC000657696452 411581063 /nfs/dbraw/zinc/58/10/63/411581063.db2.gz JTEMUENHFKDWOI-SECBINFHSA-N 1 0 238.287 0.340 10 0 BCAERO CC[C@@H]1C[C@@H]([NH2+]C[C@H]2CC(=O)N(C)C2)CO1 ZINC000657696343 411581234 /nfs/dbraw/zinc/58/12/34/411581234.db2.gz HREMEWLHYSNOQM-GMTAPVOTSA-N 1 0 226.320 0.622 10 0 BCAERO CN1C[C@@H](C[NH2+]Cc2cscn2)CC1=O ZINC000657697630 411581871 /nfs/dbraw/zinc/58/18/71/411581871.db2.gz QQYBYNPYRUOZRA-MRVPVSSYSA-N 1 0 225.317 0.711 10 0 BCAERO Cc1n[nH]c(C)c1C[NH2+]C[C@@H]1CC(=O)N(C)C1 ZINC000657697263 411581951 /nfs/dbraw/zinc/58/19/51/411581951.db2.gz ODYDTQODQGHILH-JTQLQIEISA-N 1 0 236.319 0.594 10 0 BCAERO CCn1cncc1C[NH2+]C1CC(CO)C1 ZINC000657810613 411602541 /nfs/dbraw/zinc/60/25/41/411602541.db2.gz FSOZGAPJJGGIJH-UHFFFAOYSA-N 1 0 209.293 0.764 10 0 BCAERO CN(C)c1ncc(C[NH2+]C2CC(CO)C2)n1C ZINC000657810315 411602563 /nfs/dbraw/zinc/60/25/63/411602563.db2.gz ANOCOPDSTKLESX-UHFFFAOYSA-N 1 0 238.335 0.347 10 0 BCAERO NC(=O)c1ccc(C[NH2+]C2CC(CO)C2)cc1 ZINC000657813332 411603537 /nfs/dbraw/zinc/60/35/37/411603537.db2.gz TWASCBFAHANZAL-UHFFFAOYSA-N 1 0 234.299 0.646 10 0 BCAERO OCc1ccc(C[NH2+]C2CC(CO)C2)o1 ZINC000657812049 411603642 /nfs/dbraw/zinc/60/36/42/411603642.db2.gz DIMXJMDVANHKDC-UHFFFAOYSA-N 1 0 211.261 0.632 10 0 BCAERO C[C@H]1C[C@@H]([NH2+]C2CC(CO)C2)CN1C1CC1 ZINC000657813145 411604383 /nfs/dbraw/zinc/60/43/83/411604383.db2.gz RGRYAMOYZRPHGJ-WNYYMSAVSA-N 1 0 224.348 0.972 10 0 BCAERO CCN1CC[C@H]([N@@H+]2C[C@H](C)C[C@@H](O)C2)C1=O ZINC000660757431 411621066 /nfs/dbraw/zinc/62/10/66/411621066.db2.gz LTZAGAXCCWPXSH-MXWKQRLJSA-N 1 0 226.320 0.310 10 0 BCAERO COC[C@H](C[N@@H+]1C[C@H](C)C[C@@H](O)C1)OC ZINC000660757500 411621295 /nfs/dbraw/zinc/62/12/95/411621295.db2.gz MLXHKHTVIROCFA-MXWKQRLJSA-N 1 0 217.309 0.351 10 0 BCAERO c1nnc2ccc(NC[C@@H]3CCCC[NH2+]3)nn12 ZINC000642996201 411703712 /nfs/dbraw/zinc/70/37/12/411703712.db2.gz MTNNZODHCNEJRZ-VIFPVBQESA-N 1 0 232.291 0.678 10 0 BCAERO CCO[C@@H]1C[C@H]1C(=O)N1CCC([NH2+]C)CC1 ZINC000236860891 170492902 /nfs/dbraw/zinc/49/29/02/170492902.db2.gz PZXQXWAEWHZIEE-GHMZBOCLSA-N 1 0 226.320 0.622 10 0 BCAERO CC[NH2+][C@H](C)CNc1ncnc2c1CCC2 ZINC000387494043 411650459 /nfs/dbraw/zinc/65/04/59/411650459.db2.gz ZZKCVTRVEATXRD-SECBINFHSA-N 1 0 220.320 1.375 10 0 BCAERO CCO[C@H]1C[C@H]1C(=O)N1CCC(C[NH2+]C)CC1 ZINC000236961386 170510993 /nfs/dbraw/zinc/51/09/93/170510993.db2.gz HSYOXZWHQXPNJH-NEPJUHHUSA-N 1 0 240.347 0.869 10 0 BCAERO Cc1cc2c(N[C@@H](C)[C@@H](C)[NH3+])nccn2n1 ZINC000381734576 411663148 /nfs/dbraw/zinc/66/31/48/411663148.db2.gz LIFTXZPAIBGNAY-BDAKNGLRSA-N 1 0 219.292 1.185 10 0 BCAERO c1ccc(C[N@@H+]2CC[C@H](Nc3nn[nH]n3)C2)cc1 ZINC000575466450 411701286 /nfs/dbraw/zinc/70/12/86/411701286.db2.gz MDILPPRSOWKDTA-NSHDSACASA-N 1 0 244.302 0.886 10 0 BCAERO O[C@@H]1CCC[C@H]1[N@@H+]1C[C@@H]2CC[C@H](O)C[C@@H]2C1 ZINC000661204247 411732457 /nfs/dbraw/zinc/73/24/57/411732457.db2.gz FLIFSCDFJMSBSR-OBPIAQAESA-N 1 0 225.332 0.993 10 0 BCAERO CCOc1cccc(OC[C@](C)([NH3+])C(N)=O)c1 ZINC000051847665 170583589 /nfs/dbraw/zinc/58/35/89/170583589.db2.gz SPRLHBNJIIOUJV-LBPRGKRZSA-N 1 0 238.287 0.667 10 0 BCAERO CCOc1ccccc1OC[C@@H]([NH3+])CO ZINC000071518196 170596314 /nfs/dbraw/zinc/59/63/14/170596314.db2.gz JLFRIHXSWRXBDP-VIFPVBQESA-N 1 0 211.261 0.784 10 0 BCAERO CCS(=O)(=O)Nc1ccc(C(N)=[NH2+])cc1 ZINC000070660652 170620540 /nfs/dbraw/zinc/62/05/40/170620540.db2.gz YOKYBBZLENCQKW-UHFFFAOYSA-N 1 0 227.289 0.732 10 0 BCAERO CCSCC[NH2+][C@@H]1CCc2ncnn2C1 ZINC000309030073 170638560 /nfs/dbraw/zinc/63/85/60/170638560.db2.gz DCFWIJBOAAVUBG-SECBINFHSA-N 1 0 226.349 0.936 10 0 BCAERO CCc1nc(C)cc(N[C@@H](C)CC[NH3+])n1 ZINC000336701386 411782451 /nfs/dbraw/zinc/78/24/51/411782451.db2.gz PRUIATLBIAJPHU-QMMMGPOBSA-N 1 0 208.309 1.497 10 0 BCAERO Cc1nccnc1N[C@@H](CC[NH3+])C(F)F ZINC000383525791 411790694 /nfs/dbraw/zinc/79/06/94/411790694.db2.gz XFTANGWJLGPZFR-ZETCQYMHSA-N 1 0 216.235 1.179 10 0 BCAERO CCOc1nccnc1NCC1CC[NH2+]CC1 ZINC000571423487 411720262 /nfs/dbraw/zinc/72/02/62/411720262.db2.gz YTFPHCRZXUDPBB-UHFFFAOYSA-N 1 0 236.319 1.287 10 0 BCAERO CCn1c(C)nnc1C[NH2+][C@@H](CO)C1CCC1 ZINC000661151124 411720556 /nfs/dbraw/zinc/72/05/56/411720556.db2.gz CBRVLZOZXIWOPT-NSHDSACASA-N 1 0 238.335 0.857 10 0 BCAERO CC(C)(C)OC[C@@H](O)C[NH2+][C@H](CO)C1CCC1 ZINC000661156905 411722906 /nfs/dbraw/zinc/72/29/06/411722906.db2.gz KURFZDOCUKHGGT-NWDGAFQWSA-N 1 0 245.363 0.913 10 0 BCAERO CC(C)(C)OC[C@@H](O)C[NH2+][C@@H](CO)C1CCC1 ZINC000661156907 411723062 /nfs/dbraw/zinc/72/30/62/411723062.db2.gz KURFZDOCUKHGGT-RYUDHWBXSA-N 1 0 245.363 0.913 10 0 BCAERO Cc1nnc2c(N[C@@H]3CC[C@H](C)[NH2+]C3)nccn12 ZINC000630534568 411804215 /nfs/dbraw/zinc/80/42/15/411804215.db2.gz YBHPVVCNDUOCTJ-WCBMZHEXSA-N 1 0 246.318 0.985 10 0 BCAERO C[C@@H]([NH3+])C[C@H](C)Nc1ccc(C#N)nn1 ZINC000396898833 411825594 /nfs/dbraw/zinc/82/55/94/411825594.db2.gz BGOUPMRZDHFDPM-SFYZADRCSA-N 1 0 205.265 0.886 10 0 BCAERO C[C@@H](Nc1ccc(Br)nn1)[C@H](C)[NH3+] ZINC000575582640 411829575 /nfs/dbraw/zinc/82/95/75/411829575.db2.gz FXMRUCSBDGKUFQ-NTSWFWBYSA-N 1 0 245.124 1.387 10 0 BCAERO C[C@@H]1CC[C@@H](Nc2ccc3nncn3n2)C[NH2+]1 ZINC000630534647 411838327 /nfs/dbraw/zinc/83/83/27/411838327.db2.gz NXUPSKPANSTIOE-RKDXNWHRSA-N 1 0 232.291 0.677 10 0 BCAERO CC[C@@H](C)[NH2+]CC(=O)NCc1ccnc(C)n1 ZINC000038038181 170750748 /nfs/dbraw/zinc/75/07/48/170750748.db2.gz UDKKRTISSDTTCP-SECBINFHSA-N 1 0 236.319 0.789 10 0 BCAERO CC[N@@H+]1CCC[C@H](Nc2nc(C)nc(N)n2)C1 ZINC000383806656 411857208 /nfs/dbraw/zinc/85/72/08/411857208.db2.gz OVWLOYNBVUZXEU-VIFPVBQESA-N 1 0 236.323 0.658 10 0 BCAERO C[N@@H+]1CCOC[C@H](c2ccc(N)nc2)C1 ZINC000616657162 411896749 /nfs/dbraw/zinc/89/67/49/411896749.db2.gz AWOQGNZWHBBKIX-SNVBAGLBSA-N 1 0 207.277 0.709 10 0 BCAERO CC(C)[C@@H](C)[N@@H+]1CCC(CO)(CO)C1 ZINC000661954604 411916475 /nfs/dbraw/zinc/91/64/75/411916475.db2.gz XUWHEWQFGZEYOE-SNVBAGLBSA-N 1 0 201.310 0.708 10 0 BCAERO CC[C@@H](C[NH3+])CC(=O)NC[C@H]1CCCO1 ZINC000076608315 170821906 /nfs/dbraw/zinc/82/19/06/170821906.db2.gz CRTIJMGKWRSPTJ-NXEZZACHSA-N 1 0 214.309 0.657 10 0 BCAERO CC[C@@H](C[NH3+])C(=O)N1CCO[C@H](C)C1 ZINC000044796229 170821928 /nfs/dbraw/zinc/82/19/28/170821928.db2.gz DQFVNALRSBQDLV-BDAKNGLRSA-N 1 0 200.282 0.219 10 0 BCAERO C[C@H](C(=O)NC[C@@H]1C[NH2+]C[C@H]1O)C(C)(C)C ZINC000262348064 487620969 /nfs/dbraw/zinc/62/09/69/487620969.db2.gz UFQDSCLZQNVVON-KXUCPTDWSA-N 1 0 228.336 0.365 10 0 BCAERO CC[C@@H]([NH3+])C(=O)N1CCc2ncccc2C1 ZINC000037484109 170862410 /nfs/dbraw/zinc/86/24/10/170862410.db2.gz FBBLKTPSNHXMHS-SNVBAGLBSA-N 1 0 219.288 0.704 10 0 BCAERO Nc1ccc([C@@H]2COCCC[N@@H+]2CCO)cn1 ZINC000616645134 411959871 /nfs/dbraw/zinc/95/98/71/411959871.db2.gz LGENGJNGPPUGFT-NSHDSACASA-N 1 0 237.303 0.420 10 0 BCAERO Nc1ccc([C@H]2COCCC[N@@H+]2CCO)cn1 ZINC000616599553 411960217 /nfs/dbraw/zinc/96/02/17/411960217.db2.gz LGENGJNGPPUGFT-LLVKDONJSA-N 1 0 237.303 0.420 10 0 BCAERO FC1(F)C[C@@H]1OCCN[C@@H]1CC[NH2+]C1 ZINC000662266364 412059003 /nfs/dbraw/zinc/05/90/03/412059003.db2.gz WTJIJOBMMRYPKJ-SFYZADRCSA-N 1 0 206.236 0.362 10 0 BCAERO [NH3+]C[C@@H]1CCCN1CCO[C@H]1CC1(F)F ZINC000662244700 412042086 /nfs/dbraw/zinc/04/20/86/412042086.db2.gz JTASGPQKCJQDIY-IUCAKERBSA-N 1 0 220.263 0.834 10 0 BCAERO CC[C@@H]1CC[C@@H](C[NH3+])[C@H](N(C)CC(=O)NC)C1 ZINC000037270045 171040260 /nfs/dbraw/zinc/04/02/60/171040260.db2.gz BMDMMPQGKYEUNK-GRYCIOLGSA-N 1 0 241.379 0.818 10 0 BCAERO CC[C@@H]1CN(C(=O)c2ccc(C[NH3+])cc2)C[C@@H]1O ZINC000262254809 171071418 /nfs/dbraw/zinc/07/14/18/171071418.db2.gz CPHVYZCMMZUPPH-YPMHNXCESA-N 1 0 248.326 0.988 10 0 BCAERO CC[C@@H]1CN(C(=O)n2cc[n+](C)c2)CCO1 ZINC000036770552 171074315 /nfs/dbraw/zinc/07/43/15/171074315.db2.gz QVIQQLHOBYWZQQ-SNVBAGLBSA-N 1 0 224.284 0.392 10 0 BCAERO CC[C@@H]1C[N@H+](CC2(CO)CCOCC2)CCO1 ZINC000052199360 171075990 /nfs/dbraw/zinc/07/59/90/171075990.db2.gz VBTZKDYXFYHFGV-GFCCVEGCSA-N 1 0 243.347 0.886 10 0 BCAERO CC[C@@H]1C[NH2+]CCN1C[C@@H]1CCS(=O)(=O)C1 ZINC000083087185 171101740 /nfs/dbraw/zinc/10/17/40/171101740.db2.gz UKENBGJRMJYKQG-WDEREUQCSA-N 1 0 246.376 0.105 10 0 BCAERO CC[C@@H]1COCCN1C(=O)[C@H]([NH3+])C(C)(C)C ZINC000077488233 171104538 /nfs/dbraw/zinc/10/45/38/171104538.db2.gz LXWXUDWTZOSIRR-ZJUUUORDSA-N 1 0 228.336 0.997 10 0 BCAERO CC[C@@H]1COCCN1C(=O)[C@H]1CCCC[NH2+]1 ZINC000036326550 171104703 /nfs/dbraw/zinc/10/47/03/171104703.db2.gz INQZDABYLSPCFT-GHMZBOCLSA-N 1 0 226.320 0.766 10 0 BCAERO CC[C@@]([NH3+])(C(N)=O)c1ccc(OC)cc1 ZINC000037460044 171193866 /nfs/dbraw/zinc/19/38/66/171193866.db2.gz FTKQAWZMDBVREU-NSHDSACASA-N 1 0 208.261 0.745 10 0 BCAERO CC[C@@](O)(C[NH2+]C1CCCC1)C(=O)OC ZINC000095803891 171194706 /nfs/dbraw/zinc/19/47/06/171194706.db2.gz CEJDJTADSDPGDD-LLVKDONJSA-N 1 0 215.293 0.833 10 0 BCAERO CC[C@H](C)N(C)C1(C[NH3+])CCS(=O)(=O)CC1 ZINC000042332265 171305401 /nfs/dbraw/zinc/30/54/01/171305401.db2.gz NTSPENOSKGDKIU-JTQLQIEISA-N 1 0 248.392 0.623 10 0 BCAERO CC[C@H](C)N(CCC[NH3+])S(C)(=O)=O ZINC000076584587 171313176 /nfs/dbraw/zinc/31/31/76/171313176.db2.gz LUFNFAAKQPXSCH-QMMMGPOBSA-N 1 0 208.327 0.395 10 0 BCAERO CC[C@H](C)[N@H+](CCOC)CC[C@H](N)C(=O)OC ZINC000062522955 171315823 /nfs/dbraw/zinc/31/58/23/171315823.db2.gz HLBIZHUAWNLMIR-QWRGUYRKSA-N 1 0 246.351 0.624 10 0 BCAERO CC[C@H](C)[NH+]1CCN([C@@H]2COCC[C@@H]2O)CC1 ZINC000055069467 171318978 /nfs/dbraw/zinc/31/89/78/171318978.db2.gz OZMAJLZKKCKBAT-XQQFMLRXSA-N 1 0 242.363 0.552 10 0 BCAERO CC[C@H](C)NC(=O)C1(C[NH3+])CCOCC1 ZINC000044761287 171321502 /nfs/dbraw/zinc/32/15/02/171321502.db2.gz VIPQTRGELJFOHM-VIFPVBQESA-N 1 0 214.309 0.657 10 0 BCAERO CC[C@H](C)NC(=O)CCCN1CC[NH2+]CC1 ZINC000041248793 171321964 /nfs/dbraw/zinc/32/19/64/171321964.db2.gz XRKWGERGNUIETG-NSHDSACASA-N 1 0 227.352 0.587 10 0 BCAERO CC[C@H](C)NC(=O)CC[NH2+]CCC(=O)N(C)C ZINC000038014360 171322461 /nfs/dbraw/zinc/32/24/61/171322461.db2.gz DBDFVUHTUNYJRZ-JTQLQIEISA-N 1 0 243.351 0.359 10 0 BCAERO CC[C@H](C)NC(=O)C[NH2+][C@@H]1CCN2CCC[C@H]12 ZINC000049568205 171326046 /nfs/dbraw/zinc/32/60/46/171326046.db2.gz IVBLSOKJORBWLA-QJPTWQEYSA-N 1 0 239.363 0.727 10 0 BCAERO CC[C@H](C)NC(=O)[C@@H](C)[NH2+][C@@H](C)C(=O)N(C)C ZINC000042570878 171332114 /nfs/dbraw/zinc/33/21/14/171332114.db2.gz QJAXOIFZVHHHJK-AEJSXWLSSA-N 1 0 243.351 0.356 10 0 BCAERO CC[C@H](C)[NH2+]CC(=O)N1CCCOCC1 ZINC000061920605 171339886 /nfs/dbraw/zinc/33/98/86/171339886.db2.gz QAEGCUFLPZWEEW-JTQLQIEISA-N 1 0 214.309 0.623 10 0 BCAERO CC[C@H](C)OCC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000124020367 171353240 /nfs/dbraw/zinc/35/32/40/171353240.db2.gz IOCGJPJLCXYTKB-QWRGUYRKSA-N 1 0 228.336 0.964 10 0 BCAERO CC[C@H](C)[C@@H](C(N)=O)N1CCC[NH2+]CC1 ZINC000041050122 171357649 /nfs/dbraw/zinc/35/76/49/171357649.db2.gz CKOVZYLPOMOHPP-UWVGGRQHSA-N 1 0 213.325 0.182 10 0 BCAERO CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@@H](O)C(C)C ZINC000226689749 171370698 /nfs/dbraw/zinc/37/06/98/171370698.db2.gz FXEDPIFNRGXFOQ-IVZWLZJFSA-N 1 0 216.325 0.493 10 0 BCAERO CC[C@H](C)[C@@H]([NH3+])C(=O)N[C@@H](CCO)CSC ZINC000236891779 171371049 /nfs/dbraw/zinc/37/10/49/171371049.db2.gz DSLSZCBPCAUXLF-LPEHRKFASA-N 1 0 248.392 0.590 10 0 BCAERO CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1ncnn1C ZINC000162367860 171372494 /nfs/dbraw/zinc/37/24/94/171372494.db2.gz JQTVPWGWQADCNP-NKWVEPMBSA-N 1 0 211.269 0.127 10 0 BCAERO CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1cnccn1 ZINC000077558847 171372872 /nfs/dbraw/zinc/37/28/72/171372872.db2.gz KYLGFRFKCBOTLV-IONNQARKSA-N 1 0 208.265 0.789 10 0 BCAERO CC[C@H](C)[C@H](CN[C@@H]1CC[NH2+]C1)OC ZINC000362975590 171393530 /nfs/dbraw/zinc/39/35/30/171393530.db2.gz GIRBFQDQFOYOBR-AXFHLTTASA-N 1 0 200.326 0.999 10 0 BCAERO CC[C@H](C)[C@H]([NH3+])C(=O)N1CCN(C)C(C)(C)C1 ZINC000104128642 171394280 /nfs/dbraw/zinc/39/42/80/171394280.db2.gz UJPRACMAUQJHDG-QWRGUYRKSA-N 1 0 241.379 0.912 10 0 BCAERO CC[C@H](C)[C@H]([NH3+])C(=O)N1CC[C@@H](F)C1 ZINC000013529482 171394550 /nfs/dbraw/zinc/39/45/50/171394550.db2.gz INAAURZIHBQNQA-YIZRAAEISA-N 1 0 202.273 0.930 10 0 BCAERO CC[C@H](C)[C@H]([NH3+])C(=O)NCc1cnc(C)cn1 ZINC000061322317 171395212 /nfs/dbraw/zinc/39/52/12/171395212.db2.gz ZRZJYGLPXPEMTN-KWQFWETISA-N 1 0 236.319 0.775 10 0 BCAERO CC[C@@H]([NH2+]C)C(=O)N1CCC[C@@H](NC(C)=O)C1 ZINC000662387859 412139563 /nfs/dbraw/zinc/13/95/63/412139563.db2.gz LOXYQYWWTBWJQW-GHMZBOCLSA-N 1 0 241.335 0.112 10 0 BCAERO CC[C@H]([NH3+])[C@@H](O)c1ccc(OCC(N)=O)cc1 ZINC000036779080 171487573 /nfs/dbraw/zinc/48/75/73/171487573.db2.gz PWNVFFALEWSPKR-JQWIXIFHSA-N 1 0 238.287 0.321 10 0 BCAERO CC[C@H]([NH3+])[C@H](c1cnn(C)c1)n1cncn1 ZINC000043232480 171489422 /nfs/dbraw/zinc/48/94/22/171489422.db2.gz GTCWYNCLICHSFE-UWVGGRQHSA-N 1 0 220.280 0.338 10 0 BCAERO CN(C)c1nccc(NCCOCCC[NH3+])n1 ZINC000630537357 412201030 /nfs/dbraw/zinc/20/10/30/412201030.db2.gz MWIFZOQXUKXCCF-UHFFFAOYSA-N 1 0 239.323 0.320 10 0 BCAERO Cc1c(CN2CCO[C@H]([C@@H](C)[NH3+])C2)cnn1C ZINC000132629103 412150564 /nfs/dbraw/zinc/15/05/64/412150564.db2.gz OFMSKOFGGAWPDW-SKDRFNHKSA-N 1 0 238.335 0.277 10 0 BCAERO CC[C@H]([NH2+][C@@H]1CC(=O)N(C)C1=O)C(C)C ZINC000042587152 171539927 /nfs/dbraw/zinc/53/99/27/171539927.db2.gz OAKHNJOMSDVKBU-DTWKUNHWSA-N 1 0 212.293 0.768 10 0 BCAERO CO[C@@H](C(=O)N1CCC[C@@H]1C[NH3+])C1CCC1 ZINC000662425794 412165705 /nfs/dbraw/zinc/16/57/05/412165705.db2.gz NXCZIVDXFWZRSQ-GHMZBOCLSA-N 1 0 226.320 0.751 10 0 BCAERO CC[C@H](O)CCNC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000226331885 171558242 /nfs/dbraw/zinc/55/82/42/171558242.db2.gz VDQNXDXOKHBLAU-BBBLOLIVSA-N 1 0 214.309 0.391 10 0 BCAERO CCC[C@H]([NH3+])C(=O)NCCO[C@@H]1CC1(F)F ZINC000662646381 412254695 /nfs/dbraw/zinc/25/46/95/412254695.db2.gz NUNIYQGKUJOYFO-JGVFFNPUSA-N 1 0 236.262 0.654 10 0 BCAERO COC[C@@H]([NH3+])C(=O)NCCC(C)(C)F ZINC000662662553 412262866 /nfs/dbraw/zinc/26/28/66/412262866.db2.gz GXYOJPYRXDAHKB-SSDOTTSWSA-N 1 0 206.261 0.215 10 0 BCAERO COC[C@@H]([NH3+])C(=O)NC[C@]1(C)CC1(F)F ZINC000662666098 412265276 /nfs/dbraw/zinc/26/52/76/412265276.db2.gz NRQOKKSUZLHTJP-SVRRBLITSA-N 1 0 222.235 0.122 10 0 BCAERO N#Cc1ccc(N[C@H]2CCC[C@H]2C[NH3+])nn1 ZINC000397044819 412274398 /nfs/dbraw/zinc/27/43/98/412274398.db2.gz NSZTWSQYBVJRIV-WPRPVWTQSA-N 1 0 217.276 0.888 10 0 BCAERO O=C([C@H]1CC[NH2+]C1)N1CC[C@@H]2COC[C@H]2C1 ZINC000662710780 412274748 /nfs/dbraw/zinc/27/47/48/412274748.db2.gz JLVZNPYBMVPQOS-HBNTYKKESA-N 1 0 224.304 0.091 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N1CC[C@H]2COC[C@@H]2C1 ZINC000662713830 412280214 /nfs/dbraw/zinc/28/02/14/412280214.db2.gz ZDNFEWCCQMOOGP-DCAQKATOSA-N 1 0 226.320 0.609 10 0 BCAERO CC(C)C[C@H](C[NH3+])Nc1ccc2nncn2n1 ZINC000420177611 412286735 /nfs/dbraw/zinc/28/67/35/412286735.db2.gz AANAJLZHSNQVNT-SECBINFHSA-N 1 0 234.307 0.910 10 0 BCAERO CC[C@H]([NH2+]C)C(=O)N1CCC([C@@H](C)O)CC1 ZINC000662563913 412219802 /nfs/dbraw/zinc/21/98/02/412219802.db2.gz KJMWUQJBXIEPOB-KOLCDFICSA-N 1 0 228.336 0.604 10 0 BCAERO CO[C@@H]1CCCN(C(=O)[C@@H]2CC[NH2+]C2)CC1 ZINC000662835086 412314901 /nfs/dbraw/zinc/31/49/01/412314901.db2.gz KZOAISKKSKMJRA-GHMZBOCLSA-N 1 0 226.320 0.623 10 0 BCAERO C[C@H](CNC(=O)[C@H]1C[C@@H](O)C[NH2+]1)c1ccccn1 ZINC000662841013 412317992 /nfs/dbraw/zinc/31/79/92/412317992.db2.gz DRYZDJXFMQJVGF-CKYFFXLPSA-N 1 0 249.314 0.024 10 0 BCAERO CNc1nccc(N(C)[C@H]2C[NH2+]CC[C@H]2C)n1 ZINC000584660320 412320331 /nfs/dbraw/zinc/32/03/31/412320331.db2.gz XMJWHVWPAATBIG-ZJUUUORDSA-N 1 0 235.335 0.953 10 0 BCAERO O=C(N[C@H](CO)C1CCC1)[C@H]1CCC[NH2+]C1 ZINC000662848529 412320653 /nfs/dbraw/zinc/32/06/53/412320653.db2.gz BJILDXQWCRWXFE-WDEREUQCSA-N 1 0 226.320 0.263 10 0 BCAERO CC(C)c1cc(NC[C@H]2C[NH2+]C[C@@H]2O)ncn1 ZINC000420248323 412321057 /nfs/dbraw/zinc/32/10/57/412321057.db2.gz IBFDJOCAGKKPEH-KOLCDFICSA-N 1 0 236.319 0.592 10 0 BCAERO O=C(N[C@@H](CO)C1CCC1)[C@H]1CCC[NH2+]C1 ZINC000662848528 412321030 /nfs/dbraw/zinc/32/10/30/412321030.db2.gz BJILDXQWCRWXFE-QWRGUYRKSA-N 1 0 226.320 0.263 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N[C@H](CO)C1CCC1 ZINC000662849470 412321931 /nfs/dbraw/zinc/32/19/31/412321931.db2.gz MODGVPDNBVIYEQ-SDDRHHMPSA-N 1 0 240.347 0.639 10 0 BCAERO C[C@@]1(C(=O)N[C@H](CO)C2CCC2)CCCC[NH2+]1 ZINC000662852436 412322913 /nfs/dbraw/zinc/32/29/13/412322913.db2.gz KGTWGPJHSZZMRW-YPMHNXCESA-N 1 0 240.347 0.796 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@@H](CO)C1CCC1 ZINC000662851535 412323255 /nfs/dbraw/zinc/32/32/55/412323255.db2.gz BNDZZMJFSZBEKX-IEBDPFPHSA-N 1 0 226.320 0.119 10 0 BCAERO CC(C)[C@@H]([NH3+])CC(=O)N[C@@H](CO)C1CCC1 ZINC000662853964 412324678 /nfs/dbraw/zinc/32/46/78/412324678.db2.gz QYUCTMMRBHSIFE-QWRGUYRKSA-N 1 0 228.336 0.637 10 0 BCAERO O=C(C[C@@H]1CCC[NH2+]C1)N[C@@H](CO)C1CCC1 ZINC000662855736 412325923 /nfs/dbraw/zinc/32/59/23/412325923.db2.gz ZEJAVZKHXQFKDK-JQWIXIFHSA-N 1 0 240.347 0.653 10 0 BCAERO CC[C@H]1NC(=O)N(C2CC[NH2+]CC2)C1=O ZINC000039101481 171680801 /nfs/dbraw/zinc/68/08/01/171680801.db2.gz UDULDRUIQMXVBM-MRVPVSSYSA-N 1 0 211.265 0.069 10 0 BCAERO CC1(Nc2ccc(Br)nn2)C[NH2+]C1 ZINC000575582385 412331950 /nfs/dbraw/zinc/33/19/50/412331950.db2.gz FTUVAKYSFDQCDP-UHFFFAOYSA-N 1 0 243.108 1.013 10 0 BCAERO CC(F)(F)CNC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000662897096 412336307 /nfs/dbraw/zinc/33/63/07/412336307.db2.gz CPXKNUAMZFGPID-NKWVEPMBSA-N 1 0 206.236 0.885 10 0 BCAERO CC[C@](C)(C[NH3+])N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000036869827 171692058 /nfs/dbraw/zinc/69/20/58/171692058.db2.gz UAOFTOJNCSTFOT-NXEZZACHSA-N 1 0 234.365 0.233 10 0 BCAERO [NH3+][C@H]1CCC[C@H](C(=O)NCCOCCF)C1 ZINC000663005289 412367490 /nfs/dbraw/zinc/36/74/90/412367490.db2.gz SWECNBCYYXOPTD-UWVGGRQHSA-N 1 0 232.299 0.606 10 0 BCAERO COC(=O)c1ccc(N[C@@H](C)[C@@H](C)[NH3+])nc1C ZINC000381362695 412344078 /nfs/dbraw/zinc/34/40/78/412344078.db2.gz KSSNVWUBQNDFIZ-SFYZADRCSA-N 1 0 237.303 1.324 10 0 BCAERO COC(=O)c1ccc(NC[C@H](C)C[NH3+])nc1C ZINC000581716554 412344170 /nfs/dbraw/zinc/34/41/70/412344170.db2.gz DJHWDBLMDAHBAX-MRVPVSSYSA-N 1 0 237.303 1.183 10 0 BCAERO CC(C)[C@@H](NC(=O)[C@H]1C[NH2+]CCOC1)C1CC1 ZINC000662917542 412344903 /nfs/dbraw/zinc/34/49/03/412344903.db2.gz USVBLRRVHUWOQH-NWDGAFQWSA-N 1 0 240.347 0.773 10 0 BCAERO CCCC[C@H](C[NH3+])Nc1ccc(C#N)nn1 ZINC000397037617 412345504 /nfs/dbraw/zinc/34/55/04/412345504.db2.gz GUSRMFSEZLYQRZ-SECBINFHSA-N 1 0 219.292 1.278 10 0 BCAERO CC[C@]1(C(=O)N[C@H]2CCCOC2)CCC[NH2+]1 ZINC000129032034 171711845 /nfs/dbraw/zinc/71/18/45/171711845.db2.gz GWWLBYZHBLXIPF-CMPLNLGQSA-N 1 0 226.320 0.814 10 0 BCAERO Cc1cn(C)nc1NC(=O)[C@@H]1CC[NH2+]C1 ZINC000662970624 412360550 /nfs/dbraw/zinc/36/05/50/412360550.db2.gz NLKLBCPQPVMUEN-MRVPVSSYSA-N 1 0 208.265 0.277 10 0 BCAERO CC[C@]1(C)NC(=O)N(C[C@@H]2CC[NH2+]C2)C1=O ZINC000051890252 171722505 /nfs/dbraw/zinc/72/25/05/171722505.db2.gz SCDVPUBQWFBUBR-KCJUWKMLSA-N 1 0 225.292 0.316 10 0 BCAERO CN(C(=O)c1cccn1C)[C@H](C[NH3+])C(F)(F)F ZINC000662976308 412362014 /nfs/dbraw/zinc/36/20/14/412362014.db2.gz NKOAKXFJGICDOY-MRVPVSSYSA-N 1 0 249.236 0.987 10 0 BCAERO CC(C)OCC(=O)N(C)[C@H](C[NH3+])C(F)(F)F ZINC000662984627 412363329 /nfs/dbraw/zinc/36/33/29/412363329.db2.gz SMJROVAHUBKFHJ-SSDOTTSWSA-N 1 0 242.241 0.759 10 0 BCAERO C[NH2+]CCOCCNc1ncc(F)cn1 ZINC000630525876 412292614 /nfs/dbraw/zinc/29/26/14/412292614.db2.gz BUBCKJKRPVRJAF-UHFFFAOYSA-N 1 0 214.244 0.264 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)NCCOCCF ZINC000663002300 412365747 /nfs/dbraw/zinc/36/57/47/412365747.db2.gz CWNPSXAOLYKOCV-SECBINFHSA-N 1 0 220.288 0.462 10 0 BCAERO CC(C)[N@@H+]1CCOC[C@@H](Nc2cc[nH]n2)C1 ZINC000616660854 412296500 /nfs/dbraw/zinc/29/65/00/412296500.db2.gz PUUIQIZNQILXLK-JTQLQIEISA-N 1 0 224.308 0.931 10 0 BCAERO C[NH2+][C@H](C)CNc1ccc(C(=O)OC)c(C)n1 ZINC000379715941 412298157 /nfs/dbraw/zinc/29/81/57/412298157.db2.gz LTSJHWNCFPSSKD-MRVPVSSYSA-N 1 0 237.303 1.196 10 0 BCAERO CC(C)(C)[C@@H](O)CNC(=O)[C@]1(C)CCC[NH2+]1 ZINC000324503213 487623794 /nfs/dbraw/zinc/62/37/94/487623794.db2.gz LGIGQIPKMIACJH-CABZTGNLSA-N 1 0 228.336 0.652 10 0 BCAERO CCc1ncc(C[NH2+][C@@H](C)C(=O)NC)s1 ZINC000042562145 172019468 /nfs/dbraw/zinc/01/94/68/172019468.db2.gz UYMIXFWVANXCBY-ZETCQYMHSA-N 1 0 227.333 0.930 10 0 BCAERO CCc1ncc(C[NH2+][C@H](C)C(=O)NC)s1 ZINC000042562147 172020251 /nfs/dbraw/zinc/02/02/51/172020251.db2.gz UYMIXFWVANXCBY-SSDOTTSWSA-N 1 0 227.333 0.930 10 0 BCAERO CCc1nn(C)cc1C(=O)N1CC[C@H]([NH3+])[C@H]1C ZINC000336322391 172040855 /nfs/dbraw/zinc/04/08/55/172040855.db2.gz BRPGLXJTTRLGQP-SCZZXKLOSA-N 1 0 236.319 0.544 10 0 BCAERO CCc1nnc(N2CC[C@@H](C[NH3+])C2)nc1CC ZINC000097837887 172056845 /nfs/dbraw/zinc/05/68/45/172056845.db2.gz CCSVYJYTYILQGK-VIFPVBQESA-N 1 0 235.335 0.781 10 0 BCAERO CCc1noc(C)c1C[N@@H+]1C[C@H](O)C[C@@H]1CO ZINC000274152988 172077718 /nfs/dbraw/zinc/07/77/18/172077718.db2.gz JBNFYWDVFHNYNU-NXEZZACHSA-N 1 0 240.303 0.473 10 0 BCAERO CCc1noc(C[C@@H]2CSCC[NH2+]2)n1 ZINC000082966563 172084582 /nfs/dbraw/zinc/08/45/82/172084582.db2.gz GHGJUOAKBAQNCV-SSDOTTSWSA-N 1 0 213.306 0.880 10 0 BCAERO CCc1nsc(NC[C@@H]2C[NH2+]CCO2)n1 ZINC000227786844 172105291 /nfs/dbraw/zinc/10/52/91/172105291.db2.gz SMCIFIVYFGXKIW-ZETCQYMHSA-N 1 0 228.321 0.501 10 0 BCAERO CCn1cc(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)cn1 ZINC000172173207 172152541 /nfs/dbraw/zinc/15/25/41/172152541.db2.gz OHMZWVONRLPTHQ-LBPRGKRZSA-N 1 0 248.330 0.823 10 0 BCAERO CCn1cc(C[NH2+][C@@H]2CCC(=O)N[C@@H]2C)cn1 ZINC000282224006 172174110 /nfs/dbraw/zinc/17/41/10/172174110.db2.gz FCLPGJCJWPSVCC-MWLCHTKSSA-N 1 0 236.319 0.660 10 0 BCAERO CCn1cc(NC(=O)[C@](C)([NH3+])C2CC2)cn1 ZINC000037479008 172184537 /nfs/dbraw/zinc/18/45/37/172184537.db2.gz YMZATYJHQGNXDU-LLVKDONJSA-N 1 0 222.292 0.969 10 0 BCAERO CCn1ccc(=O)n(CC[NH2+]C(C)(C)C)c1=O ZINC000104289482 172200239 /nfs/dbraw/zinc/20/02/39/172200239.db2.gz WSBDEEIQEVJYRQ-UHFFFAOYSA-N 1 0 239.319 0.418 10 0 BCAERO CCn1cccc1C[NH2+][C@@H](CCO)COC ZINC000228269693 172209479 /nfs/dbraw/zinc/20/94/79/172209479.db2.gz LSGNQNSLUYEQRL-NSHDSACASA-N 1 0 226.320 0.995 10 0 BCAERO CCn1ccnc(NC2CC[NH2+]CC2)c1=O ZINC000061767489 172210456 /nfs/dbraw/zinc/21/04/56/172210456.db2.gz PIMCNYJRDAYHKE-UHFFFAOYSA-N 1 0 222.292 0.427 10 0 BCAERO CCn1ccnc(N2CC[C@@](C)(C[NH3+])C2)c1=O ZINC000234213556 172210482 /nfs/dbraw/zinc/21/04/82/172210482.db2.gz FNKMFJVWUCBQLO-LBPRGKRZSA-N 1 0 236.319 0.438 10 0 BCAERO CCn1ccnc(N2CCC[C@H]2C[NH2+]C)c1=O ZINC000061776063 172210698 /nfs/dbraw/zinc/21/06/98/172210698.db2.gz RNOZXHIOPRKFSF-JTQLQIEISA-N 1 0 236.319 0.451 10 0 BCAERO CCn1ccnc(OC[C@H]2CCC[NH2+]2)c1=O ZINC000061771510 172213603 /nfs/dbraw/zinc/21/36/03/172213603.db2.gz QUTCGTJEQBNTKG-SECBINFHSA-N 1 0 223.276 0.394 10 0 BCAERO CCn1cc[nH+]c1NC[C@@H]1CCS(=O)(=O)C1 ZINC000050614108 172227499 /nfs/dbraw/zinc/22/74/99/172227499.db2.gz MINZQTIAGSEFHX-VIFPVBQESA-N 1 0 243.332 0.750 10 0 BCAERO CCn1nc(C)c(C[NH2+]CC(=O)NC)c1C ZINC000163867463 172244817 /nfs/dbraw/zinc/24/48/17/172244817.db2.gz XWQKQWVYRPITBH-UHFFFAOYSA-N 1 0 224.308 0.355 10 0 BCAERO CN(C(=O)CCc1ccncc1)C1C[NH2+]C1 ZINC000136032272 172306721 /nfs/dbraw/zinc/30/67/21/172306721.db2.gz LFAJXPSRSRMVCY-UHFFFAOYSA-N 1 0 219.288 0.444 10 0 BCAERO CN(C(=O)C[NH2+]C1CC1)c1ccccn1 ZINC000037476913 172310358 /nfs/dbraw/zinc/31/03/58/172310358.db2.gz CPERPCCXDAPPLC-UHFFFAOYSA-N 1 0 205.261 0.796 10 0 BCAERO CN(C(=O)[C@@H]1CCC[C@H]([NH3+])C1)[C@H]1CCOC1 ZINC000133838702 172327837 /nfs/dbraw/zinc/32/78/37/172327837.db2.gz ISNHBXXCDIXQBU-VWYCJHECSA-N 1 0 226.320 0.751 10 0 BCAERO CN(C(=O)[C@@H]1CCOC1)[C@@H]1CCC[NH2+]C1 ZINC000040941629 172328429 /nfs/dbraw/zinc/32/84/29/172328429.db2.gz AVHCNRFRODPXIV-NXEZZACHSA-N 1 0 212.293 0.233 10 0 BCAERO CN(C(=O)[C@@H]1CC[C@@H]([NH3+])C1)[C@@H]1CCOC1 ZINC000226334992 172328822 /nfs/dbraw/zinc/32/88/22/172328822.db2.gz WAHOPIGKOQRCLP-OPRDCNLKSA-N 1 0 212.293 0.361 10 0 BCAERO CN(C(=O)[C@@H]1CC[C@H]([NH3+])C1)[C@H]1CCOC1 ZINC000133836694 172329252 /nfs/dbraw/zinc/32/92/52/172329252.db2.gz WAHOPIGKOQRCLP-UTLUCORTSA-N 1 0 212.293 0.361 10 0 BCAERO CN(C(=O)[C@H]1[C@@H]2CCCC[C@@H]21)C1C[NH2+]C1 ZINC000250352417 172331080 /nfs/dbraw/zinc/33/10/80/172331080.db2.gz AVXATVIFTIFELN-URLYPYJESA-N 1 0 208.305 0.853 10 0 BCAERO CN(C(=O)[C@@H]1Cc2ccccc2O1)C1C[NH2+]C1 ZINC000090289832 172331112 /nfs/dbraw/zinc/33/11/12/172331112.db2.gz XHALIDABXRIBKE-LBPRGKRZSA-N 1 0 232.283 0.420 10 0 BCAERO CN(C(=O)[C@H]1CCC[NH2+]1)C1CCOCC1 ZINC000036320958 172333645 /nfs/dbraw/zinc/33/36/45/172333645.db2.gz KQRVDKWXKGKADZ-SNVBAGLBSA-N 1 0 212.293 0.376 10 0 BCAERO CN(C(=O)[C@H]1CCOC1)[C@@H]1CCC[NH2+]C1 ZINC000040941631 172334771 /nfs/dbraw/zinc/33/47/71/172334771.db2.gz AVHCNRFRODPXIV-VHSXEESVSA-N 1 0 212.293 0.233 10 0 BCAERO CN(C)C(=O)CC[NH2+]C1CCOCC1 ZINC000037751874 172360435 /nfs/dbraw/zinc/36/04/35/172360435.db2.gz HOJMTCKAPIKUEC-UHFFFAOYSA-N 1 0 200.282 0.233 10 0 BCAERO CN(C)C(=O)CC[NH2+]CC1CCOCC1 ZINC000052172602 172360863 /nfs/dbraw/zinc/36/08/63/172360863.db2.gz RBZQYNYAJISUPN-UHFFFAOYSA-N 1 0 214.309 0.481 10 0 BCAERO CN(C)C(=O)CN1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000051360080 172365604 /nfs/dbraw/zinc/36/56/04/172365604.db2.gz SJKGYMYFMDUBCM-WDEREUQCSA-N 1 0 225.336 0.291 10 0 BCAERO CN(C)C(=O)CN[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000049565413 172370394 /nfs/dbraw/zinc/37/03/94/172370394.db2.gz SBVHYWQMGXUCFD-GHMZBOCLSA-N 1 0 225.336 0.291 10 0 BCAERO CN(C)C(=O)C[NH2+][C@H]1CCCCC[C@@H]1O ZINC000037886637 172371343 /nfs/dbraw/zinc/37/13/43/172371343.db2.gz LKSURRHVEXGGQG-UWVGGRQHSA-N 1 0 214.309 0.358 10 0 BCAERO CN(C)C(=O)CN[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000049565415 172371640 /nfs/dbraw/zinc/37/16/40/172371640.db2.gz SBVHYWQMGXUCFD-WDEREUQCSA-N 1 0 225.336 0.291 10 0 BCAERO CN(C)C(=O)CNc1ccnc(C(N)=S)c1 ZINC000061812496 172371842 /nfs/dbraw/zinc/37/18/42/172371842.db2.gz RVRPRNJLKBJATR-UHFFFAOYSA-N 1 0 238.316 0.216 10 0 BCAERO CN(C)C(=O)COCC1CC[NH2+]CC1 ZINC000051815079 172372570 /nfs/dbraw/zinc/37/25/70/172372570.db2.gz KKBSBXZKIKUXKZ-UHFFFAOYSA-N 1 0 200.282 0.091 10 0 BCAERO CN(C)C(=O)CO[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC000096089781 172373110 /nfs/dbraw/zinc/37/31/10/172373110.db2.gz BQOYJVKKZDNIPJ-JTQLQIEISA-N 1 0 242.319 0.002 10 0 BCAERO CN(C)C(=O)[C@@H]1C[C@]2(CO1)CCC[NH2+]C2 ZINC000096074304 172385176 /nfs/dbraw/zinc/38/51/76/172385176.db2.gz RTCDDDJKNKFGGA-GXSJLCMTSA-N 1 0 212.293 0.233 10 0 BCAERO CN(C)C(=O)[C@H](C[NH3+])Cc1ccc2c(c1)CCO2 ZINC000050304668 172385261 /nfs/dbraw/zinc/38/52/61/172385261.db2.gz UIMMKLUXIIACGQ-LBPRGKRZSA-N 1 0 248.326 0.827 10 0 BCAERO CN(C)C(=O)[C@H]1CCCN1c1ccc(C[NH3+])cn1 ZINC000036796714 172386507 /nfs/dbraw/zinc/38/65/07/172386507.db2.gz DTCDYPDGNALVFI-LLVKDONJSA-N 1 0 248.330 0.597 10 0 BCAERO CN(C)C(=O)[C@]1(c2ccccc2)C[C@H]1C[NH3+] ZINC000026964680 172387414 /nfs/dbraw/zinc/38/74/14/172387414.db2.gz LMRXDYSTKNCUDM-AAEUAGOBSA-N 1 0 218.300 0.991 10 0 BCAERO CN(C)C(=O)c1cc(NCC[NH3+])ccn1 ZINC000035672827 172388769 /nfs/dbraw/zinc/38/87/69/172388769.db2.gz CUEBECRYZBVHQD-UHFFFAOYSA-N 1 0 208.265 0.154 10 0 BCAERO C[NH+](C)C1CCN(C(=O)c2n[nH]cc2N)CC1 ZINC000062810979 172406048 /nfs/dbraw/zinc/40/60/48/172406048.db2.gz FSHPQZIIQOLRPC-UHFFFAOYSA-N 1 0 237.307 0.158 10 0 BCAERO CN(CC[NH+](C)C)c1[nH]c(=O)nc2ccccc21 ZINC000005285558 172454159 /nfs/dbraw/zinc/45/41/59/172454159.db2.gz PBDXCYFZZLXZOB-UHFFFAOYSA-N 1 0 246.314 0.921 10 0 BCAERO C[NH+](C)C[C@H]1CN(C(=O)C2CC2)CCO1 ZINC000116794492 172496837 /nfs/dbraw/zinc/49/68/37/172496837.db2.gz FNZBMJJYNNEGNA-JTQLQIEISA-N 1 0 212.293 0.185 10 0 BCAERO CN(C)S(=O)(=O)N(CC[NH3+])C1CCCCC1 ZINC000020183579 172512754 /nfs/dbraw/zinc/51/27/54/172512754.db2.gz GSEHOPARXAFSQL-UHFFFAOYSA-N 1 0 249.380 0.386 10 0 BCAERO Cn1cc(C(=O)N2CC[C@@H]([NH+](C)C)C2)ccc1=O ZINC000170865856 172527098 /nfs/dbraw/zinc/52/70/98/172527098.db2.gz YDGCMUANABCHFZ-LLVKDONJSA-N 1 0 249.314 0.161 10 0 BCAERO CN(C)c1cc[nH+]cc1NC(=O)c1n[nH]c(N)n1 ZINC000055165431 172573828 /nfs/dbraw/zinc/57/38/28/172573828.db2.gz MQKIGHLDDJVVRE-UHFFFAOYSA-N 1 0 247.262 0.100 10 0 BCAERO CN(CC[NH3+])C(=O)c1ccc2c[nH]nc2c1 ZINC000061670102 172731803 /nfs/dbraw/zinc/73/18/03/172731803.db2.gz HTQCBKNNCSNTQA-UHFFFAOYSA-N 1 0 218.260 0.594 10 0 BCAERO CN(C[C@H]1CCCO1)C(=O)C[C@@H]1CCC[NH2+]1 ZINC000042465721 172828267 /nfs/dbraw/zinc/82/82/67/172828267.db2.gz NUTIWAJLDMZBEW-WDEREUQCSA-N 1 0 226.320 0.766 10 0 BCAERO CN(Cc1cccc(O)c1)C(=O)[C@@H]1CC[NH2+]C1 ZINC000062115296 172866523 /nfs/dbraw/zinc/86/65/23/172866523.db2.gz PALPRFDDLNROSX-LLVKDONJSA-N 1 0 234.299 0.960 10 0 BCAERO CN(c1ncc(F)cn1)[C@@H]1CCC[NH2+]C1 ZINC000095070518 172954133 /nfs/dbraw/zinc/95/41/33/172954133.db2.gz CYOVWTVZQCOKKK-SECBINFHSA-N 1 0 210.256 0.804 10 0 BCAERO CN1C(=O)CSC12CC[NH+](C)CC2 ZINC000039104903 173003430 /nfs/dbraw/zinc/00/34/30/173003430.db2.gz UQFVOYTXHWBJOS-UHFFFAOYSA-N 1 0 200.307 0.614 10 0 BCAERO C[N@@H+]1CCCC[C@H]1CNc1ncc(N)cn1 ZINC000044563757 173009187 /nfs/dbraw/zinc/00/91/87/173009187.db2.gz OWMMAPRKWQQWOW-JTQLQIEISA-N 1 0 221.308 0.955 10 0 BCAERO CN1CCC[N@H+](C[C@H](O)c2ccc(N)cc2)CC1 ZINC000051323964 173017300 /nfs/dbraw/zinc/01/73/00/173017300.db2.gz IBUFEMAEOHNQMN-AWEZNQCLSA-N 1 0 249.358 0.940 10 0 BCAERO Cn1ccnc(N[C@H]2CCC[N@H+](C)C2)c1=O ZINC000061751485 173046769 /nfs/dbraw/zinc/04/67/69/173046769.db2.gz GBPCVRLZJYDRMM-VIFPVBQESA-N 1 0 222.292 0.286 10 0 BCAERO CN1CCN(C(N)=[NH2+])[C@H](c2ccccc2)C1 ZINC000035439013 173063794 /nfs/dbraw/zinc/06/37/94/173063794.db2.gz JIAWSVSYGPIIRY-NSHDSACASA-N 1 0 218.304 0.869 10 0 BCAERO CN1CCN(C(=O)C[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000055122116 173066318 /nfs/dbraw/zinc/06/63/18/173066318.db2.gz RBNRVHGFKGSNFS-RYUDHWBXSA-N 1 0 239.363 0.668 10 0 BCAERO CN1CCN(C(=O)C[NH2+][C@@H]2CC2(C)C)CC1 ZINC000045134202 173067931 /nfs/dbraw/zinc/06/79/31/173067931.db2.gz OAOMYYARFHEPQU-SNVBAGLBSA-N 1 0 225.336 0.149 10 0 BCAERO CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1C[NH3+] ZINC000082348628 173068472 /nfs/dbraw/zinc/06/84/72/173068472.db2.gz BNXNJAZGVHGWSC-VIFPVBQESA-N 1 0 229.324 0.496 10 0 BCAERO CN1CCN(C(=O)Nc2cccc(C[NH3+])c2)CC1 ZINC000036720790 173070349 /nfs/dbraw/zinc/07/03/49/173070349.db2.gz JNFRFQOEHTZSKT-UHFFFAOYSA-N 1 0 248.330 0.925 10 0 BCAERO CN1CCN(C(=O)[C@H](C[NH3+])CC2CC2)CC1 ZINC000051690927 173072051 /nfs/dbraw/zinc/07/20/51/173072051.db2.gz SLXAZKWXKPFABO-NSHDSACASA-N 1 0 225.336 0.135 10 0 BCAERO CN1CC[NH+](C2CCC3(CC2)OCCO3)CC1 ZINC000034519761 173076755 /nfs/dbraw/zinc/07/67/55/173076755.db2.gz AOKPRNQJOUPBTB-UHFFFAOYSA-N 1 0 240.347 0.920 10 0 BCAERO C[NH+]1CCN(CCNc2ccncn2)CC1 ZINC000040863221 173081303 /nfs/dbraw/zinc/08/13/03/173081303.db2.gz MUGIZMHBCMLUNE-UHFFFAOYSA-N 1 0 221.308 0.136 10 0 BCAERO CN1CCN(Cc2cc(C[NH3+])co2)CC1 ZINC000052379440 173086819 /nfs/dbraw/zinc/08/68/19/173086819.db2.gz DSBXSBJUNABYBB-UHFFFAOYSA-N 1 0 209.293 0.486 10 0 BCAERO CN1CCN(NC(=O)c2cccc(C[NH3+])c2)CC1 ZINC000082698202 173091418 /nfs/dbraw/zinc/09/14/18/173091418.db2.gz FVQAJNGLGWKLFI-UHFFFAOYSA-N 1 0 248.330 0.038 10 0 BCAERO CN1CCO[C@@H](C[NH2+][C@@H]2CCOC2(C)C)C1 ZINC000328202267 173102841 /nfs/dbraw/zinc/10/28/41/173102841.db2.gz GGWLMVVJZAZAOO-WDEREUQCSA-N 1 0 228.336 0.474 10 0 BCAERO CN1CCO[C@@H](C[NH2+][C@H]2CCOC2(C)C)C1 ZINC000328202266 173103667 /nfs/dbraw/zinc/10/36/67/173103667.db2.gz GGWLMVVJZAZAOO-QWRGUYRKSA-N 1 0 228.336 0.474 10 0 BCAERO CN1CCO[C@H](CN[C@H]2CCn3ccnc32)C1 ZINC000294167307 173108839 /nfs/dbraw/zinc/10/88/39/173108839.db2.gz RFNYWBNMRRXVDJ-MNOVXSKESA-N 1 0 236.319 0.248 10 0 BCAERO C[N@@H+]1CC[C@@H](NC(=O)c2cc(N)ccc2F)C1 ZINC000042543600 173122355 /nfs/dbraw/zinc/12/23/55/173122355.db2.gz BVGHGFXTOKQLEY-SECBINFHSA-N 1 0 237.278 0.842 10 0 BCAERO CN1CC[C@@H]([NH2+]CCc2ccccn2)C1 ZINC000042546864 173124095 /nfs/dbraw/zinc/12/40/95/173124095.db2.gz FDIAMGJVBMHQLA-GFCCVEGCSA-N 1 0 205.305 0.918 10 0 BCAERO C[N@@H+]1CC[C@@H](Nc2nccnc2C(N)=S)C1 ZINC000054397688 173127306 /nfs/dbraw/zinc/12/73/06/173127306.db2.gz BMYOZAWQHXTQDH-SSDOTTSWSA-N 1 0 237.332 0.227 10 0 BCAERO CN(C[C@H]1CC[N@H+](C)C1)C(=O)c1ncccc1O ZINC000071190583 173143947 /nfs/dbraw/zinc/14/39/47/173143947.db2.gz NOHNMTKEKXXXSY-JTQLQIEISA-N 1 0 249.314 0.811 10 0 BCAERO C[N@@H+]1CC[C@H](CNCc2ncccn2)C1 ZINC000054459269 173147022 /nfs/dbraw/zinc/14/70/22/173147022.db2.gz ZPIRAXXKYSHZJF-SNVBAGLBSA-N 1 0 206.293 0.518 10 0 BCAERO CN1CC[C@H](C[NH2+]C2CCS(=O)(=O)CC2)C1 ZINC000037484798 173147891 /nfs/dbraw/zinc/14/78/91/173147891.db2.gz MNBHAEAQKOTHRX-SNVBAGLBSA-N 1 0 246.376 0.105 10 0 BCAERO CN1CC[C@H]([N@H+](C)[C@@H]2CCC[C@@H]2O)C1=O ZINC000352662004 173148255 /nfs/dbraw/zinc/14/82/55/173148255.db2.gz ZOVPQFCMSOLQRR-UTLUCORTSA-N 1 0 212.293 0.062 10 0 BCAERO CN1CC[C@H](N2CC[C@@H]([NH3+])C(C)(C)C2)C1=O ZINC000304304178 173150166 /nfs/dbraw/zinc/15/01/66/173150166.db2.gz PJNFZMYQYCLSHB-VHSXEESVSA-N 1 0 225.336 0.276 10 0 BCAERO CN1CC[C@H]([N@@H+]2CCC[C@H](c3nnc[nH]3)C2)C1=O ZINC000328635537 173150420 /nfs/dbraw/zinc/15/04/20/173150420.db2.gz CCJMNFKCGWWCNY-UWVGGRQHSA-N 1 0 249.318 0.215 10 0 BCAERO C[N@@H+]1CC[C@H](NC(=O)COc2cccc(N)c2)C1 ZINC000042543670 173151053 /nfs/dbraw/zinc/15/10/53/173151053.db2.gz RNBKUJLVRYYHGU-NSHDSACASA-N 1 0 249.314 0.468 10 0 BCAERO CN1CC[C@H]([NH2+]CCc2ccccn2)C1 ZINC000042546861 173152792 /nfs/dbraw/zinc/15/27/92/173152792.db2.gz FDIAMGJVBMHQLA-LBPRGKRZSA-N 1 0 205.305 0.918 10 0 BCAERO C[N@@H+]1CC[C@H](Nc2cc3c(cc2N)CC(=O)N3)C1 ZINC000042545040 173154718 /nfs/dbraw/zinc/15/47/18/173154718.db2.gz OCZZJOGQFVOQHG-VIFPVBQESA-N 1 0 246.314 0.879 10 0 BCAERO C[N@@H+]1CC[C@H](Nc2cccnc2-n2cncn2)C1 ZINC000061989390 173156356 /nfs/dbraw/zinc/15/63/56/173156356.db2.gz AIOFDMAGWJFFNN-JTQLQIEISA-N 1 0 244.302 0.778 10 0 BCAERO C[N@@H+]1CC[C@H](Nc2ncccc2C(N)=S)C1 ZINC000042549316 173156473 /nfs/dbraw/zinc/15/64/73/173156473.db2.gz AUHDERNIBKBGTO-QMMMGPOBSA-N 1 0 236.344 0.832 10 0 BCAERO CN1CC[C@](CN)([N@H+](C)CC2CCOCC2)C1 ZINC000104193707 173161892 /nfs/dbraw/zinc/16/18/92/173161892.db2.gz AYTOMBOJNFEWAV-CYBMUJFWSA-N 1 0 241.379 0.378 10 0 BCAERO CN1C[C@@](C[NH3+])(c2cccs2)CC1=O ZINC000077304127 173189583 /nfs/dbraw/zinc/18/95/83/173189583.db2.gz BRTUMJGVKDWSSN-SNVBAGLBSA-N 1 0 210.302 0.807 10 0 BCAERO CNC(=O)C(C)(C)C[NH2+]CC1CCOCC1 ZINC000120308442 173219914 /nfs/dbraw/zinc/21/99/14/173219914.db2.gz IOUJPPYRFAUUKE-UHFFFAOYSA-N 1 0 228.336 0.775 10 0 BCAERO CNC(=O)CC[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000128375882 173253837 /nfs/dbraw/zinc/25/38/37/173253837.db2.gz MGJBLRQYHCQJSY-DGCLKSJQSA-N 1 0 240.347 0.750 10 0 BCAERO CNC(=O)CCOc1ccc(C[NH3+])cc1OC ZINC000051756511 173261744 /nfs/dbraw/zinc/26/17/44/173261744.db2.gz MURKXXDOGLZNQD-UHFFFAOYSA-N 1 0 238.287 0.669 10 0 BCAERO CNC(=O)CN(C)[C@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000042901199 173272179 /nfs/dbraw/zinc/27/21/79/173272179.db2.gz VXLVASUWAZYZEY-MFKMUULPSA-N 1 0 235.331 0.753 10 0 BCAERO CNC(=O)CN1CCC[C@H](C[NH2+]C(C)(C)C)C1 ZINC000104414734 173273819 /nfs/dbraw/zinc/27/38/19/173273819.db2.gz KWGLRNSVGYKJPJ-LLVKDONJSA-N 1 0 241.379 0.833 10 0 BCAERO CNC(=O)C[NH2+]C[C@H]1Cc2ccccc2O1 ZINC000038009975 173276801 /nfs/dbraw/zinc/27/68/01/173276801.db2.gz WGTLTYGNHNKSJY-SNVBAGLBSA-N 1 0 220.272 0.326 10 0 BCAERO CNC(=O)C[NH2+]CCc1ccc(OC)cc1 ZINC000020044661 173276818 /nfs/dbraw/zinc/27/68/18/173276818.db2.gz XCUOHQIWZAYWNF-UHFFFAOYSA-N 1 0 222.288 0.573 10 0 BCAERO CNC(=O)C[NH2+]CCCN(C)c1ccccc1 ZINC000020043956 173276862 /nfs/dbraw/zinc/27/68/62/173276862.db2.gz UGWYCGKZHMCWLO-UHFFFAOYSA-N 1 0 235.331 0.849 10 0 BCAERO CNC(=O)C[NH2+]CC1(O)CCCCCC1 ZINC000037886364 173277045 /nfs/dbraw/zinc/27/70/45/173277045.db2.gz XGMWYXQAAZXRNR-UHFFFAOYSA-N 1 0 214.309 0.407 10 0 BCAERO CNC(=O)C[NH2+]Cc1ccc2c[nH]nc2c1 ZINC000163781819 173277272 /nfs/dbraw/zinc/27/72/72/173277272.db2.gz LZHVFPAVLJRYDE-UHFFFAOYSA-N 1 0 218.260 0.399 10 0 BCAERO CNC(=O)C[NH2+][C@@H]1CCCc2c1cnn2C ZINC000037224644 173278147 /nfs/dbraw/zinc/27/81/47/173278147.db2.gz NHMLOCLIQLOKKS-SECBINFHSA-N 1 0 222.292 0.133 10 0 BCAERO CNC(=O)C[NH2+][C@H](C)c1scnc1C ZINC000037254164 173278399 /nfs/dbraw/zinc/27/83/99/173278399.db2.gz HRJJLZHCPUFAFI-ZCFIWIBFSA-N 1 0 213.306 0.848 10 0 BCAERO CNC(=O)C[NH2+][C@H]1CCN(Cc2ccccc2)C1 ZINC000037207574 173278786 /nfs/dbraw/zinc/27/87/86/173278786.db2.gz BLFPGPZWRBRZPF-ZDUSSCGKSA-N 1 0 247.342 0.597 10 0 BCAERO CNC(=O)Cc1ccccc1NC(=O)[C@@H](C)C[NH3+] ZINC000054338914 173283794 /nfs/dbraw/zinc/28/37/94/173283794.db2.gz SMMAHHAZLWQEKN-VIFPVBQESA-N 1 0 249.314 0.508 10 0 BCAERO CNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](C)C1CC1 ZINC000035140152 173288042 /nfs/dbraw/zinc/28/80/42/173288042.db2.gz LLDVMTHLTVTGAQ-RNFRBKRXSA-N 1 0 213.281 0.219 10 0 BCAERO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCCC(C)C ZINC000037984504 173288382 /nfs/dbraw/zinc/28/83/82/173288382.db2.gz YJWNHGSYLDHRJR-SECBINFHSA-N 1 0 229.324 0.856 10 0 BCAERO CNC(=O)NC(=O)[C@@H](C)[NH2+]C1CCCCC1 ZINC000020302852 173288516 /nfs/dbraw/zinc/28/85/16/173288516.db2.gz GFUJYDPEDZELGC-MRVPVSSYSA-N 1 0 227.308 0.753 10 0 BCAERO CNC(=O)NC(=O)[C@H](C)[NH2+][C@H](C)C1CC1 ZINC000035140147 173288663 /nfs/dbraw/zinc/28/86/63/173288663.db2.gz LLDVMTHLTVTGAQ-RQJHMYQMSA-N 1 0 213.281 0.219 10 0 BCAERO CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CC1(C)C ZINC000045119663 173288757 /nfs/dbraw/zinc/28/87/57/173288757.db2.gz LWWUJYLUEHHHIL-NKWVEPMBSA-N 1 0 213.281 0.219 10 0 BCAERO CNC(=O)[C@@H](C)OC[C@H]1CCC[NH2+]C1 ZINC000051815287 173296064 /nfs/dbraw/zinc/29/60/64/173296064.db2.gz RILQKIBMRADFMM-BDAKNGLRSA-N 1 0 200.282 0.137 10 0 BCAERO CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1N ZINC000042391088 173299081 /nfs/dbraw/zinc/29/90/81/173299081.db2.gz VKQFIDTYYOWTJF-LBPRGKRZSA-N 1 0 233.315 0.979 10 0 BCAERO CNC(=O)[C@@H]1CCCN1[C@@H](C[NH3+])c1ccccc1 ZINC000042899362 173299156 /nfs/dbraw/zinc/29/91/56/173299156.db2.gz UNILALYOFNXSGK-STQMWFEESA-N 1 0 247.342 0.897 10 0 BCAERO CNC(=O)[C@H](C)OC[C@H]1CCC[NH2+]C1 ZINC000051815286 173304242 /nfs/dbraw/zinc/30/42/42/173304242.db2.gz RILQKIBMRADFMM-IUCAKERBSA-N 1 0 200.282 0.137 10 0 BCAERO CNC(=O)[C@H](C)Oc1ccc(C[NH3+])cc1OC ZINC000020387191 173304385 /nfs/dbraw/zinc/30/43/85/173304385.db2.gz XAKDYFIQMUYBMS-QMMMGPOBSA-N 1 0 238.287 0.667 10 0 BCAERO CNC(=O)[C@H]1CCCC[N@@H+]1[C@@H](C)CC(=O)OC ZINC000042423107 173306320 /nfs/dbraw/zinc/30/63/20/173306320.db2.gz FXLFIFOXTIFEBD-VHSXEESVSA-N 1 0 242.319 0.539 10 0 BCAERO CNC(=O)[C@H]1CCCN1C(=O)[C@H]([NH3+])CC(C)C ZINC000037826690 173306493 /nfs/dbraw/zinc/30/64/93/173306493.db2.gz MXLFUTCFGWKVNE-NXEZZACHSA-N 1 0 241.335 0.097 10 0 BCAERO CNC(=O)c1cnc(C[NH3+])cc1OC1CC1 ZINC000095737823 173312962 /nfs/dbraw/zinc/31/29/62/173312962.db2.gz JQADNTHAQWMCEK-UHFFFAOYSA-N 1 0 221.260 0.441 10 0 BCAERO C[NH2+]C(C)(C)C(=O)N(C)Cc1cc(C)on1 ZINC000061300545 173317645 /nfs/dbraw/zinc/31/76/45/173317645.db2.gz ASYCPGNMQCVAHM-UHFFFAOYSA-N 1 0 225.292 0.939 10 0 BCAERO C[NH2+]C(C)(C)C(=O)N1CCO[C@H]2CCC[C@H]21 ZINC000061318981 173318423 /nfs/dbraw/zinc/31/84/23/173318423.db2.gz ICHFUBBTECJUJL-ZJUUUORDSA-N 1 0 226.320 0.764 10 0 BCAERO C[NH2+]C(C)(C)C(=O)N1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000061317591 173318428 /nfs/dbraw/zinc/31/84/28/173318428.db2.gz JAGAAMNMUNCKCP-IUCAKERBSA-N 1 0 241.335 0.097 10 0 BCAERO C[NH2+]C(C)(C)C(=O)N1CCOCC1(C)C ZINC000061318803 173318488 /nfs/dbraw/zinc/31/84/88/173318488.db2.gz WFBZVVXPMXCIAW-UHFFFAOYSA-N 1 0 214.309 0.622 10 0 BCAERO C[NH2+]C(C)(C)C(=O)N1C[C@@H](C(N)=O)CC[C@H]1C ZINC000061317589 173318513 /nfs/dbraw/zinc/31/85/13/173318513.db2.gz JAGAAMNMUNCKCP-BDAKNGLRSA-N 1 0 241.335 0.097 10 0 BCAERO C[NH2+]C(C)(C)C(=O)NC[C@@H]1CCOC1 ZINC000061316610 173318647 /nfs/dbraw/zinc/31/86/47/173318647.db2.gz SYWLCIFNEJQRRR-QMMMGPOBSA-N 1 0 200.282 0.137 10 0 BCAERO C[NH2+]C(C)(C)C(=O)N[C@H]1CCC[C@@H](O)C1 ZINC000061300597 173318708 /nfs/dbraw/zinc/31/87/08/173318708.db2.gz RLUVNRKXBXNZFH-DTWKUNHWSA-N 1 0 214.309 0.404 10 0 BCAERO C[NH2+]C1CCC(NC(=O)[C@@H]2CCCO2)CC1 ZINC000036880507 173321964 /nfs/dbraw/zinc/32/19/64/173321964.db2.gz YYSGPKMNUDCWCW-ILDUYXDCSA-N 1 0 226.320 0.812 10 0 BCAERO C[NH2+]C1CCC(NC(=O)[C@H]2CCCO2)CC1 ZINC000036880508 173322181 /nfs/dbraw/zinc/32/21/81/173322181.db2.gz YYSGPKMNUDCWCW-VQXHTEKXSA-N 1 0 226.320 0.812 10 0 BCAERO C[NH2+]C1CCN(S(=O)(=O)C(F)F)CC1 ZINC000037469287 173322768 /nfs/dbraw/zinc/32/27/68/173322768.db2.gz YYCBSVDSJGJQPY-UHFFFAOYSA-N 1 0 228.264 0.223 10 0 BCAERO C[NH2+]C1CCN(C[C@H]2CCS(=O)(=O)C2)CC1 ZINC000050602386 173323004 /nfs/dbraw/zinc/32/30/04/173323004.db2.gz GTLFTEGYINLTLY-SNVBAGLBSA-N 1 0 246.376 0.105 10 0 BCAERO C[NH2+]C1CCN([C@@]2(C)CCS(=O)(=O)C2)CC1 ZINC000044930953 173324491 /nfs/dbraw/zinc/32/44/91/173324491.db2.gz OLGRWUKPSDIEQA-NSHDSACASA-N 1 0 246.376 0.247 10 0 BCAERO C[NH2+]CC(=O)N1CCC[C@H]1Cn1ccnc1 ZINC000193132269 173326941 /nfs/dbraw/zinc/32/69/41/173326941.db2.gz KLSCCLMTZFRIFL-JTQLQIEISA-N 1 0 222.292 0.094 10 0 BCAERO C[NH2+]CC(=O)NCC(C)(C)CCCO ZINC000227996774 173328172 /nfs/dbraw/zinc/32/81/72/173328172.db2.gz WPMRSLHULXNJLV-UHFFFAOYSA-N 1 0 202.298 0.121 10 0 BCAERO C[NH2+]CC(=O)N[C@@H](C)CCc1ccco1 ZINC000040824889 173330630 /nfs/dbraw/zinc/33/06/30/173330630.db2.gz BPPNOGUWBMSOEU-VIFPVBQESA-N 1 0 210.277 0.936 10 0 BCAERO C[NH2+]CC(=O)N[C@@H]1CCC[C@@H]1n1ccnc1 ZINC000037045829 173331470 /nfs/dbraw/zinc/33/14/70/173331470.db2.gz VXMVXISCNPEJSI-ZJUUUORDSA-N 1 0 222.292 0.312 10 0 BCAERO C[NH2+]CC(=O)N[C@]1(CO)CCC[C@H](C)C1 ZINC000053127869 173333168 /nfs/dbraw/zinc/33/31/68/173333168.db2.gz JPRURPHDLDDJCO-GXSJLCMTSA-N 1 0 214.309 0.263 10 0 BCAERO C[NH2+]CC(=O)Nc1ccc2[nH]cnc2c1 ZINC000082256317 173333887 /nfs/dbraw/zinc/33/38/87/173333887.db2.gz GEOIVCUFURCVNF-UHFFFAOYSA-N 1 0 204.233 0.721 10 0 BCAERO C[NH2+]CC(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O ZINC000019479337 173334385 /nfs/dbraw/zinc/33/43/85/173334385.db2.gz UDIOIFYRXITBDS-UHFFFAOYSA-N 1 0 247.254 0.070 10 0 BCAERO C[NH2+]CCC(=O)N1CCc2ncccc2C1 ZINC000043604463 173340180 /nfs/dbraw/zinc/34/01/80/173340180.db2.gz ZFSKZQXQXLKRKS-UHFFFAOYSA-N 1 0 219.288 0.576 10 0 BCAERO C[NH2+]CCC(=O)N[C@@H](C)[C@H]1CCCO1 ZINC000043600069 173340424 /nfs/dbraw/zinc/34/04/24/173340424.db2.gz XWNRSOZKLZNEOL-DTWKUNHWSA-N 1 0 200.282 0.280 10 0 BCAERO C[NH2+]CCC(=O)NCCc1ccc2[nH]cnc2c1 ZINC000077402334 173340647 /nfs/dbraw/zinc/34/06/47/173340647.db2.gz SBYJZAZAALCDRM-UHFFFAOYSA-N 1 0 246.314 0.831 10 0 BCAERO C[NH2+]CCC(=O)OCc1ccc2c(c1)CC(=O)N2 ZINC000077421093 173341930 /nfs/dbraw/zinc/34/19/30/173341930.db2.gz QNJPXOPJEZSSKC-UHFFFAOYSA-N 1 0 248.282 0.834 10 0 BCAERO C[NH2+]CCCN1c2ccccc2C(=O)C1=O ZINC000042410249 173347218 /nfs/dbraw/zinc/34/72/18/173347218.db2.gz ORJRTZNOOPCGOM-UHFFFAOYSA-N 1 0 218.256 0.825 10 0 BCAERO C[NH2+]CCCNc1ncnc2nc[nH]c21 ZINC000034632886 173349697 /nfs/dbraw/zinc/34/96/97/173349697.db2.gz XFKREXZXCWYRLP-UHFFFAOYSA-N 1 0 206.253 0.374 10 0 BCAERO C[NH2+]CCN(C)C(=O)[C@@H](C)c1cccnc1 ZINC000237300768 173352048 /nfs/dbraw/zinc/35/20/48/173352048.db2.gz JGZPTSCKOOLQMG-JTQLQIEISA-N 1 0 221.304 0.863 10 0 BCAERO C[NH2+]CCN(C)CC(=O)Nc1ccc(F)cc1 ZINC000070304429 173352639 /nfs/dbraw/zinc/35/26/39/173352639.db2.gz WZUFEUWLQABWLM-UHFFFAOYSA-N 1 0 239.294 0.915 10 0 BCAERO C[NH2+]CCN(Cc1ccncc1)S(C)(=O)=O ZINC000076625994 173354765 /nfs/dbraw/zinc/35/47/65/173354765.db2.gz FJLNWAZQBBQSSL-UHFFFAOYSA-N 1 0 243.332 0.063 10 0 BCAERO C[NH2+]CCN(C)c1ncnc2nc[nH]c21 ZINC000053663712 173354780 /nfs/dbraw/zinc/35/47/80/173354780.db2.gz AXVWJWVKWBYXMN-UHFFFAOYSA-N 1 0 206.253 0.009 10 0 BCAERO C[NH2+]CCNC(=O)c1cc(Cl)ccc1O ZINC000054244259 173354854 /nfs/dbraw/zinc/35/48/54/173354854.db2.gz DWJKGPVRJZEYDC-UHFFFAOYSA-N 1 0 228.679 0.995 10 0 BCAERO C[NH2+]CCS(=O)(=O)N1CCc2ccccc21 ZINC000049630043 173357818 /nfs/dbraw/zinc/35/78/18/173357818.db2.gz NTNCJPJRIAOSAP-UHFFFAOYSA-N 1 0 240.328 0.598 10 0 BCAERO C[NH2+]CC[C@H](C)N1CCS(=O)CC1 ZINC000052516241 173358571 /nfs/dbraw/zinc/35/85/71/173358571.db2.gz AQKVPQOGWTXERD-VIFPVBQESA-N 1 0 204.339 0.049 10 0 BCAERO C[NH2+]CCc1noc([C@@H]2CCCOC2)n1 ZINC000062243570 173362017 /nfs/dbraw/zinc/36/20/17/173362017.db2.gz FPKSTXVUUQBSFV-MRVPVSSYSA-N 1 0 211.265 0.726 10 0 BCAERO C[NH2+]CCn1cnc2ccccc2c1=O ZINC000042410286 173362204 /nfs/dbraw/zinc/36/22/04/173362204.db2.gz BOVKFDJZMKETJI-UHFFFAOYSA-N 1 0 203.245 0.616 10 0 BCAERO C[NH2+]C[C@@H](C)CN1CCn2ccnc2C1 ZINC000062325558 173364104 /nfs/dbraw/zinc/36/41/04/173364104.db2.gz ZONVEFUPWWHPKD-SNVBAGLBSA-N 1 0 208.309 0.554 10 0 BCAERO C[NH2+]C[C@@H](O)CN1CCc2sccc2C1 ZINC000019863955 173365029 /nfs/dbraw/zinc/36/50/29/173365029.db2.gz SGEYTIWPOPGXNZ-SNVBAGLBSA-N 1 0 226.345 0.687 10 0 BCAERO C[NH2+]C[C@@H](O)COc1cc(OC)cc(OC)c1 ZINC000033469188 173365843 /nfs/dbraw/zinc/36/58/43/173365843.db2.gz RHHYVGNPRBXSCA-SECBINFHSA-N 1 0 241.287 0.663 10 0 BCAERO C[NH2+]C[C@@H](O)c1ccc(OC(C)=O)cc1 ZINC000062721161 173366338 /nfs/dbraw/zinc/36/63/38/173366338.db2.gz ZOFHIJNMLWVMLQ-LLVKDONJSA-N 1 0 209.245 0.865 10 0 BCAERO C[NH2+]C[C@@H]1CCCCN1[C@@H]1CCCCNC1=O ZINC000063168446 173367114 /nfs/dbraw/zinc/36/71/14/173367114.db2.gz AWWKHNWDBXXFQR-NWDGAFQWSA-N 1 0 239.363 0.729 10 0 BCAERO C[NH2+]C[C@@H]1CCCN(Cc2cnccn2)C1 ZINC000040600650 173368388 /nfs/dbraw/zinc/36/83/88/173368388.db2.gz NTZZWZJIOLEWFI-NSHDSACASA-N 1 0 220.320 0.908 10 0 BCAERO C[NH2+]C[C@@H]1CN(Cc2ccncc2)CCO1 ZINC000071523405 173371501 /nfs/dbraw/zinc/37/15/01/173371501.db2.gz GIZFWJHCPVRRBW-GFCCVEGCSA-N 1 0 221.304 0.502 10 0 BCAERO C[NH2+]C[C@@H]1C[C@H](F)CN1c1nnc(C)o1 ZINC000238854966 173372557 /nfs/dbraw/zinc/37/25/57/173372557.db2.gz PYPUGRMLELSGDF-YUMQZZPRSA-N 1 0 214.244 0.514 10 0 BCAERO C[NH2+]C[C@@]1([C@@H]2CCS(=O)(=O)C2)CCOC1 ZINC000054663864 173373525 /nfs/dbraw/zinc/37/35/25/173373525.db2.gz XYAIMIMBCCPLMQ-ZJUUUORDSA-N 1 0 233.333 0.047 10 0 BCAERO C[NH2+]C[C@H](C)C(=O)NC[C@@H]1CCCC[C@H]1O ZINC000252650548 173374286 /nfs/dbraw/zinc/37/42/86/173374286.db2.gz YZDJPZPKHUABHB-GARJFASQSA-N 1 0 228.336 0.509 10 0 BCAERO C[NH2+]C[C@H](C)N1CCN(c2nccs2)CC1 ZINC000052417608 173375995 /nfs/dbraw/zinc/37/59/95/173375995.db2.gz FSMNMBXDOUFUQM-JTQLQIEISA-N 1 0 240.376 0.873 10 0 BCAERO C[NH2+]C[C@H](O)Cn1cnc2ccsc2c1=O ZINC000037382773 173376507 /nfs/dbraw/zinc/37/65/07/173376507.db2.gz FXHRZWMXZWAWHI-ZETCQYMHSA-N 1 0 239.300 0.038 10 0 BCAERO C[NH2+]C[C@H](O)COc1ccc(F)c(F)c1 ZINC000032013175 173376944 /nfs/dbraw/zinc/37/69/44/173376944.db2.gz IEOWUIXARLMCGJ-ZETCQYMHSA-N 1 0 217.215 0.924 10 0 BCAERO C[NH2+]C[C@H]1CCCN(S(=O)(=O)C(F)F)C1 ZINC000040596729 173378748 /nfs/dbraw/zinc/37/87/48/173378748.db2.gz HYYXHJHHVMYFJS-SSDOTTSWSA-N 1 0 242.291 0.470 10 0 BCAERO C[NH2+]C[C@H]1CCCN(Cc2ncccn2)C1 ZINC000054460379 173379196 /nfs/dbraw/zinc/37/91/96/173379196.db2.gz SMYGQFWOGXUAKN-LLVKDONJSA-N 1 0 220.320 0.908 10 0 BCAERO C[NH2+]C[C@H]1CCCN1c1ncnc2nc[nH]c21 ZINC000053703566 173380660 /nfs/dbraw/zinc/38/06/60/173380660.db2.gz XFLAMVWFYUGPMR-MRVPVSSYSA-N 1 0 232.291 0.541 10 0 BCAERO C[NH2+]C[C@H]1CCN(c2ccc(C(N)=O)cn2)C1 ZINC000071148420 173381387 /nfs/dbraw/zinc/38/13/87/173381387.db2.gz IRXLBVLHRKCGNJ-SECBINFHSA-N 1 0 234.303 0.226 10 0 BCAERO C[NH2+]C[C@H]1CCN([C@H](C)c2nncn2C)C1 ZINC000053034757 173381542 /nfs/dbraw/zinc/38/15/42/173381542.db2.gz SZQBTDCNMHRWBT-NXEZZACHSA-N 1 0 223.324 0.417 10 0 BCAERO C[NH2+]C[C@H]1C[C@H](F)CN1Cc1cnn(C)c1 ZINC000238851231 173382498 /nfs/dbraw/zinc/38/24/98/173382498.db2.gz FVLHUCNDNCEVRO-WDEREUQCSA-N 1 0 226.299 0.552 10 0 BCAERO C[NH2+]Cc1c(C)nn(C)c1-n1cncn1 ZINC000034825210 173383677 /nfs/dbraw/zinc/38/36/77/173383677.db2.gz LSPCWTIHKPNJCM-UHFFFAOYSA-N 1 0 206.253 0.029 10 0 BCAERO C[NH2+]C[C@]1(Cc2cnn(C)c2)CCOC1 ZINC000054663881 173383854 /nfs/dbraw/zinc/38/38/54/173383854.db2.gz VSOFKLJPUZNQTN-LLVKDONJSA-N 1 0 209.293 0.589 10 0 BCAERO C[NH2+]Cc1c(C)nn(C)c1N(CCO)C(C)C ZINC000042480257 173384326 /nfs/dbraw/zinc/38/43/26/173384326.db2.gz QDRXBGGEZIRYLP-UHFFFAOYSA-N 1 0 240.351 0.655 10 0 BCAERO C[NH2+]Cc1cc(CN2CCO[C@H](C)C2)on1 ZINC000052382448 173386979 /nfs/dbraw/zinc/38/69/79/173386979.db2.gz QGUYANLQXACKSJ-SECBINFHSA-N 1 0 225.292 0.615 10 0 BCAERO C[NH2+]Cc1ccc(-n2nc(C)nc2C)nc1 ZINC000051488538 173388522 /nfs/dbraw/zinc/38/85/22/173388522.db2.gz JMBYUUANMUFWAE-UHFFFAOYSA-N 1 0 217.276 0.999 10 0 BCAERO C[NH2+]Cc1ccc(NS(C)(=O)=O)cc1 ZINC000147216802 173389052 /nfs/dbraw/zinc/38/90/52/173389052.db2.gz WIZHQDAIKWZKLS-UHFFFAOYSA-N 1 0 214.290 0.778 10 0 BCAERO CNC(=O)COc1c(C[NH2+]C)cccc1OC ZINC000035413529 173389800 /nfs/dbraw/zinc/38/98/00/173389800.db2.gz KPXKRBFNHIILAY-UHFFFAOYSA-N 1 0 238.287 0.539 10 0 BCAERO C[NH2+]Cc1coc(CN2CCS(=O)CC2)c1 ZINC000052516362 173392817 /nfs/dbraw/zinc/39/28/17/173392817.db2.gz OSKVZKXAHDZXOE-UHFFFAOYSA-N 1 0 242.344 0.563 10 0 BCAERO C[NH2+]Cc1nnnn1CCOc1ccccc1 ZINC000054747069 173398774 /nfs/dbraw/zinc/39/87/74/173398774.db2.gz AMOQJXZWFPFEEK-UHFFFAOYSA-N 1 0 233.275 0.472 10 0 BCAERO C[NH2+]Cc1nnnn1-c1c(C)cccc1C ZINC000054744582 173398854 /nfs/dbraw/zinc/39/88/54/173398854.db2.gz QMFCWGCGWKKVHL-UHFFFAOYSA-N 1 0 217.276 0.999 10 0 BCAERO C[NH2+]Cc1nnnn1Cc1ccccc1C ZINC000054746256 173398950 /nfs/dbraw/zinc/39/89/50/173398950.db2.gz ZHDMCGYCVBMKRW-UHFFFAOYSA-N 1 0 217.276 0.749 10 0 BCAERO C[NH2+]Cc1nnnn1Cc1cccc(F)c1 ZINC000054746076 173398971 /nfs/dbraw/zinc/39/89/71/173398971.db2.gz WQMPWYBDGJCGGT-UHFFFAOYSA-N 1 0 221.239 0.580 10 0 BCAERO C[NH2+]Cc1nnnn1-c1c(F)cccc1F ZINC000054744537 173399016 /nfs/dbraw/zinc/39/90/16/173399016.db2.gz PEASDZRQZMVARU-UHFFFAOYSA-N 1 0 225.202 0.660 10 0 BCAERO C[NH2+]Cc1nnnn1Cc1ccc(C)cc1 ZINC000054745701 173399063 /nfs/dbraw/zinc/39/90/63/173399063.db2.gz AXXAJLANFHESPC-UHFFFAOYSA-N 1 0 217.276 0.749 10 0 BCAERO CNS(=O)(=O)CC[C@H]1CCCC[NH2+]1 ZINC000037661980 173403612 /nfs/dbraw/zinc/40/36/12/173403612.db2.gz HKDGYIDLWRIGOT-MRVPVSSYSA-N 1 0 206.311 0.068 10 0 BCAERO C[NH2+][C@@H](C)[C@H](C)N1CC[C@H](N2CCOCC2)C1 ZINC000062979688 173416676 /nfs/dbraw/zinc/41/66/76/173416676.db2.gz ZBOWCLMQVHYMDP-AVGNSLFASA-N 1 0 241.379 0.389 10 0 BCAERO C[NH2+][C@@H](CO)Cc1ccc(OC)c(OC)c1 ZINC000071532231 173424478 /nfs/dbraw/zinc/42/44/78/173424478.db2.gz YCSBHFSCZNUZON-SNVBAGLBSA-N 1 0 225.288 0.827 10 0 BCAERO C[NH2+][C@@H]1CCCN(C(=O)C2=COCCO2)C1 ZINC000053202559 173432632 /nfs/dbraw/zinc/43/26/32/173432632.db2.gz AEWMRVZCNHJIQO-SECBINFHSA-N 1 0 226.276 0.085 10 0 BCAERO C[NH2+][C@@H]1CCC[C@@H]1c1nc(-c2nc[nH]n2)no1 ZINC000104065829 173434475 /nfs/dbraw/zinc/43/44/75/173434475.db2.gz WJXCEGRCGBJBOU-NKWVEPMBSA-N 1 0 234.263 0.710 10 0 BCAERO C[NH2+][C@H](C)C(=O)Nc1ccc(OC)nc1 ZINC000054071650 173445433 /nfs/dbraw/zinc/44/54/33/173445433.db2.gz ALXXZMJWMFKQJZ-SSDOTTSWSA-N 1 0 209.249 0.637 10 0 BCAERO C[NH2+][C@H](CO)c1c(OC)cc(OC)cc1OC ZINC000038121370 173452750 /nfs/dbraw/zinc/45/27/50/173452750.db2.gz LQKKMVOLHOUULW-SECBINFHSA-N 1 0 241.287 0.965 10 0 BCAERO C[NH2+][C@H]1CCC2(C[C@@H]1OC)OCCO2 ZINC000044044238 173459266 /nfs/dbraw/zinc/45/92/66/173459266.db2.gz JTFFIPIHIVYHSR-IUCAKERBSA-N 1 0 201.266 0.516 10 0 BCAERO C[NH2+][C@H]1CCCN(CC(=O)NCCC(C)C)C1 ZINC000053203772 173461289 /nfs/dbraw/zinc/46/12/89/173461289.db2.gz OUBAZTMFIMONSL-LBPRGKRZSA-N 1 0 241.379 0.833 10 0 BCAERO C[NH2+][C@H]1CCCN(Cc2nnc(C)n2C)C1 ZINC000053203255 173461792 /nfs/dbraw/zinc/46/17/92/173461792.db2.gz PCGXYTAIXCREFX-JTQLQIEISA-N 1 0 223.324 0.307 10 0 BCAERO C[NH2+][C@H]1CCCN(Cc2ncccn2)C1 ZINC000054461504 173462040 /nfs/dbraw/zinc/46/20/40/173462040.db2.gz NXCJMRLLJNKICP-JTQLQIEISA-N 1 0 206.293 0.660 10 0 BCAERO COC(=O)C1(NC(C)C)CC[NH2+]CC1 ZINC000040695262 173514143 /nfs/dbraw/zinc/51/41/43/173514143.db2.gz UUSQKPLMOBUNHQ-UHFFFAOYSA-N 1 0 200.282 0.280 10 0 BCAERO COC(=O)CC[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000035735559 173562437 /nfs/dbraw/zinc/56/24/37/173562437.db2.gz STZLWHKWGLYNRX-IUCAKERBSA-N 1 0 201.266 0.707 10 0 BCAERO CC(C)[NH2+]CC(=O)N1CCC([C@@H](C)O)CC1 ZINC000232660527 487627165 /nfs/dbraw/zinc/62/71/65/487627165.db2.gz LAPVKTCFXSDYQR-SNVBAGLBSA-N 1 0 228.336 0.604 10 0 BCAERO COC(=O)C[C@@H](C)[NH+]1CCC(CC(N)=O)CC1 ZINC000042429845 173620294 /nfs/dbraw/zinc/62/02/94/173620294.db2.gz CQXXTBGSEYKMKC-SECBINFHSA-N 1 0 242.319 0.525 10 0 BCAERO COC(=O)[C@H](C)C[N@@H+]1CCC[C@H](O)C1 ZINC000042207558 173767643 /nfs/dbraw/zinc/76/76/43/173767643.db2.gz IJJYEDIEOOKLGC-BDAKNGLRSA-N 1 0 201.266 0.252 10 0 BCAERO COC(=O)c1ccc(NC[C@H](O)C[NH3+])cc1 ZINC000071531602 173885102 /nfs/dbraw/zinc/88/51/02/173885102.db2.gz WKYIBRJQZZRMPC-SNVBAGLBSA-N 1 0 224.260 0.205 10 0 BCAERO COC(C)(C)CNC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000133464808 173942046 /nfs/dbraw/zinc/94/20/46/173942046.db2.gz AXKMUBDXRRDBAW-DTWKUNHWSA-N 1 0 214.309 0.655 10 0 BCAERO COC1CCN(C(=O)C[C@@H](C)[NH3+])CC1 ZINC000037654613 174024957 /nfs/dbraw/zinc/02/49/57/174024957.db2.gz VCUJTGPKXDYJIJ-MRVPVSSYSA-N 1 0 200.282 0.361 10 0 BCAERO COC1CCN(C(=O)[C@H]([NH3+])C(C)(C)C)CC1 ZINC000077488181 174026199 /nfs/dbraw/zinc/02/61/99/174026199.db2.gz VVIHULQFOPBBJR-JTQLQIEISA-N 1 0 228.336 0.997 10 0 BCAERO CO[C@H]1C[NH2+][C@@H](CN2CCC(OC)CC2)C1 ZINC000040637488 174027689 /nfs/dbraw/zinc/02/76/89/174027689.db2.gz CKVFWRKOWMITAV-ZYHUDNBSSA-N 1 0 228.336 0.474 10 0 BCAERO COC1CC[NH+]([C@H](CN)[C@H]2CCOC2)CC1 ZINC000037265806 174029785 /nfs/dbraw/zinc/02/97/85/174029785.db2.gz JZQHHJAEMOMHAK-CMPLNLGQSA-N 1 0 228.336 0.461 10 0 BCAERO COCC(=O)N1CCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000048631641 174041826 /nfs/dbraw/zinc/04/18/26/174041826.db2.gz DZQUSUOYOOZWJH-WDEREUQCSA-N 1 0 226.320 0.623 10 0 BCAERO COCC(=O)N1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000051358009 174042296 /nfs/dbraw/zinc/04/22/96/174042296.db2.gz XVDUKAWXKLQTMK-UWVGGRQHSA-N 1 0 212.293 0.376 10 0 BCAERO COCC(=O)N1C[C@H](C)[C@H]([NH+](C)C)C1 ZINC000089710201 174045731 /nfs/dbraw/zinc/04/57/31/174045731.db2.gz MZXDMHJJWZZNQT-DTWKUNHWSA-N 1 0 200.282 0.041 10 0 BCAERO COCC1CCN(C(=O)[C@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000091547760 174118821 /nfs/dbraw/zinc/11/88/21/174118821.db2.gz QCIGUGVFTBNPMF-NWDGAFQWSA-N 1 0 240.347 0.999 10 0 BCAERO COCCC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000113222256 174129267 /nfs/dbraw/zinc/12/92/67/174129267.db2.gz ATKSMEHLHBPSKM-WDEREUQCSA-N 1 0 226.320 0.718 10 0 BCAERO COCCC(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000061883697 174134311 /nfs/dbraw/zinc/13/43/11/174134311.db2.gz ZZEXJZSSYMBCPQ-BDAKNGLRSA-N 1 0 200.282 0.267 10 0 BCAERO COCCCCC(=O)N1CCC[C@H]1C[NH3+] ZINC000237174636 174171078 /nfs/dbraw/zinc/17/10/78/174171078.db2.gz NAFPGNPWZVBZGH-JTQLQIEISA-N 1 0 214.309 0.753 10 0 BCAERO COCCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000114206132 174192696 /nfs/dbraw/zinc/19/26/96/174192696.db2.gz SWHWXSIROCBUAS-LLVKDONJSA-N 1 0 228.336 0.966 10 0 BCAERO COCCCC[N@@H+]1C[C@H](OC)C[C@@H]1CO ZINC000308836566 174195851 /nfs/dbraw/zinc/19/58/51/174195851.db2.gz LPFATVRRMFDTFC-GHMZBOCLSA-N 1 0 217.309 0.495 10 0 BCAERO COCCCNC(=O)[C@H](C)N(C)C[C@@H](C)C[NH3+] ZINC000042455848 174243312 /nfs/dbraw/zinc/24/33/12/174243312.db2.gz HVJMHXPZYSWVIP-QWRGUYRKSA-N 1 0 245.367 0.054 10 0 BCAERO COCCCOCCN(C)C(=O)[C@H]1CCC[NH2+]1 ZINC000183027445 174254033 /nfs/dbraw/zinc/25/40/33/174254033.db2.gz LHVWTKDZKLLQJN-LLVKDONJSA-N 1 0 244.335 0.250 10 0 BCAERO COCCN(C)C(=O)C1CCC([NH3+])CC1 ZINC000038101258 174270294 /nfs/dbraw/zinc/27/02/94/174270294.db2.gz LUEDCDKYLCUNGT-UHFFFAOYSA-N 1 0 214.309 0.609 10 0 BCAERO COCCN(C)C(=O)[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000042460174 174271973 /nfs/dbraw/zinc/27/19/73/174271973.db2.gz XECMSLCRZUYJQQ-VHSXEESVSA-N 1 0 214.309 0.479 10 0 BCAERO COCCN(CC(C)C)C(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000111268821 174287794 /nfs/dbraw/zinc/28/77/94/174287794.db2.gz QUDZWOUGVUMWJZ-VXGBXAGGSA-N 1 0 242.363 0.973 10 0 BCAERO COCC[NH+](CCOC)C[C@H](C)C[NH3+] ZINC000016787181 174295766 /nfs/dbraw/zinc/29/57/66/174295766.db2.gz SLNNCJIVUZXFOI-SNVBAGLBSA-N 1 0 204.314 0.176 10 0 BCAERO COCCN(CCOC)C(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000097093206 174296528 /nfs/dbraw/zinc/29/65/28/174296528.db2.gz NPZVKVZQTFKDIC-MNOVXSKESA-N 1 0 244.335 0.235 10 0 BCAERO COCCNC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000105064530 174323010 /nfs/dbraw/zinc/32/30/10/174323010.db2.gz CGLGYANMKXPEPN-NSHDSACASA-N 1 0 241.335 0.513 10 0 BCAERO COCCNC(=O)[C@@H](C)[NH2+][C@H]1CCC[C@@H]1OC ZINC000050373647 174325707 /nfs/dbraw/zinc/32/57/07/174325707.db2.gz IMEBTAGYAUUKNP-VWYCJHECSA-N 1 0 244.335 0.295 10 0 BCAERO COCCNC(=O)[C@@H](C)[NH2+]CCc1ccco1 ZINC000037978065 174325994 /nfs/dbraw/zinc/32/59/94/174325994.db2.gz QMBFJRNDYBSMPQ-SNVBAGLBSA-N 1 0 240.303 0.563 10 0 BCAERO COCCNC(=O)[C@@H]([NH3+])CCc1ccccc1 ZINC000083363556 174326019 /nfs/dbraw/zinc/32/60/19/174326019.db2.gz SGRBGTJBOBKVLB-LBPRGKRZSA-N 1 0 236.315 0.709 10 0 BCAERO COCCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CCCCO1 ZINC000042821309 174326063 /nfs/dbraw/zinc/32/60/63/174326063.db2.gz UVZMAWUJACFGSI-MNOVXSKESA-N 1 0 244.335 0.296 10 0 BCAERO COCC[NH2+]CCN1CCC(C)CC1 ZINC000041210382 174332191 /nfs/dbraw/zinc/33/21/91/174332191.db2.gz HWNIASHXIFPMQG-UHFFFAOYSA-N 1 0 200.326 0.954 10 0 BCAERO COCC[NH2+]C[C@@H](O)COc1ccccc1 ZINC000005997850 174333978 /nfs/dbraw/zinc/33/39/78/174333978.db2.gz VDNNHBMWPQQUCI-LLVKDONJSA-N 1 0 225.288 0.662 10 0 BCAERO COCC[NH2+]C[C@H](O)COc1ccc(C)cc1 ZINC000033468596 174334466 /nfs/dbraw/zinc/33/44/66/174334466.db2.gz BJQRKPLKGJQLDW-LBPRGKRZSA-N 1 0 239.315 0.971 10 0 BCAERO COCC[NH2+]C[C@@H]1CCCCN1CCCCO ZINC000104421622 174334919 /nfs/dbraw/zinc/33/49/19/174334919.db2.gz OMTWJCCHCHAZPK-ZDUSSCGKSA-N 1 0 244.379 0.849 10 0 BCAERO COCC[NH2+]C[C@H]1CCCCN1CCCCO ZINC000104421625 174334983 /nfs/dbraw/zinc/33/49/83/174334983.db2.gz OMTWJCCHCHAZPK-CYBMUJFWSA-N 1 0 244.379 0.849 10 0 BCAERO COCC[NH2+]C[C@H]1CCCN1c1cccnn1 ZINC000053697906 174335167 /nfs/dbraw/zinc/33/51/67/174335167.db2.gz LVNJIDYBSNNBSO-LLVKDONJSA-N 1 0 236.319 0.681 10 0 BCAERO COCCOCCCNC(=O)[C@H]1C[NH2+]C[C@@H]1C ZINC000104205148 174349654 /nfs/dbraw/zinc/34/96/54/174349654.db2.gz VUNLRLLMJPHBAM-QWRGUYRKSA-N 1 0 244.335 0.011 10 0 BCAERO COCCOCCOC[C@H]1CCCC[NH2+]1 ZINC000056960471 174359440 /nfs/dbraw/zinc/35/94/40/174359440.db2.gz LFEYFGZUGNPJPA-LLVKDONJSA-N 1 0 217.309 0.808 10 0 BCAERO COCC[C@@H](C)[NH2+]C[C@@H](C)N1CCOCC1 ZINC000123508253 174383442 /nfs/dbraw/zinc/38/34/42/174383442.db2.gz HCOPHNRASIYCEE-VXGBXAGGSA-N 1 0 230.352 0.722 10 0 BCAERO COC[C@@H](C)N(C)C(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000234701852 174446487 /nfs/dbraw/zinc/44/64/87/174446487.db2.gz VBFXSSUAKAGNSC-OPRDCNLKSA-N 1 0 214.309 0.335 10 0 BCAERO COC[C@H](NC(=O)[C@@H]1CC[NH2+]C1)C1CC1 ZINC000125397494 174577058 /nfs/dbraw/zinc/57/70/58/174577058.db2.gz VHGKMOKSSKEIBE-ZJUUUORDSA-N 1 0 212.293 0.137 10 0 BCAERO COC[C@H]([NH2+]C[C@@H](C)N1CCOCC1)C(C)C ZINC000123465744 174580814 /nfs/dbraw/zinc/58/08/14/174580814.db2.gz CCHGHPFNEWFHDJ-OLZOCXBDSA-N 1 0 244.379 0.968 10 0 BCAERO CO[C@@H]1C[C@H](CO)[N@H+](CCCCF)C1 ZINC000352376010 174776587 /nfs/dbraw/zinc/77/65/87/174776587.db2.gz IVFPBGQRVKMPJG-NXEZZACHSA-N 1 0 205.273 0.818 10 0 BCAERO CO[C@@H]1[C@H](C)[C@H]([NH2+][C@@H](C)CC(N)=O)C1(C)C ZINC000309474551 174785257 /nfs/dbraw/zinc/78/52/57/174785257.db2.gz RMNALISPGVDCNO-GISOBZBCSA-N 1 0 228.336 0.899 10 0 BCAERO CO[C@H]1C[NH2+][C@H](C(=O)NCc2ccc(C)nc2)C1 ZINC000062055399 174899403 /nfs/dbraw/zinc/89/94/03/174899403.db2.gz AGWWVAHJGJYGHY-NEPJUHHUSA-N 1 0 249.314 0.383 10 0 BCAERO CO[C@H]1C[NH2+]C[C@@H]1Nc1ccc(Cl)nn1 ZINC000036268265 174899411 /nfs/dbraw/zinc/89/94/11/174899411.db2.gz AHUVSOSHXCCAHG-BQBZGAKWSA-N 1 0 228.683 0.529 10 0 BCAERO COc1cc(OC)cc(N2C[C@@H]([NH3+])CC2=O)c1 ZINC000035679678 175010204 /nfs/dbraw/zinc/01/02/04/175010204.db2.gz VANFXEKEMKUKTP-QMMMGPOBSA-N 1 0 236.271 0.768 10 0 BCAERO COc1cc(OC)cc(OCC[C@@H](O)C[NH3+])c1 ZINC000019668604 175010223 /nfs/dbraw/zinc/01/02/23/175010223.db2.gz UGMDRJQDBSCDMS-SECBINFHSA-N 1 0 241.287 0.792 10 0 BCAERO COc1cc(OC)nc(N(C)[C@@H](C)C[NH3+])n1 ZINC000125503934 175010896 /nfs/dbraw/zinc/01/08/96/175010896.db2.gz PQBYHHZWCBODID-ZETCQYMHSA-N 1 0 226.280 0.277 10 0 BCAERO COc1cc(OC)cc([C@H]2C[NH2+]C[C@H]2CO)c1 ZINC000098089111 175011112 /nfs/dbraw/zinc/01/11/12/175011112.db2.gz YYUAZPSDQWRHOF-GXFFZTMASA-N 1 0 237.299 0.999 10 0 BCAERO COc1cc(OC)nc(N2CC[C@H](C[NH3+])C2)n1 ZINC000135008700 175011278 /nfs/dbraw/zinc/01/12/78/175011278.db2.gz JLUCMEVZDDOPPL-MRVPVSSYSA-N 1 0 238.291 0.279 10 0 BCAERO COc1cc(OC)nc(N(C)[C@@H]2CC[NH2+]C2)n1 ZINC000135009185 175011640 /nfs/dbraw/zinc/01/16/40/175011640.db2.gz LJKPHUFAPJSAEA-MRVPVSSYSA-N 1 0 238.291 0.292 10 0 BCAERO COc1cc(OC)nc(N[C@@H]2CCC[NH2+]C2)n1 ZINC000135009346 175012308 /nfs/dbraw/zinc/01/23/08/175012308.db2.gz MANCROQPVUUZPZ-MRVPVSSYSA-N 1 0 238.291 0.658 10 0 BCAERO COc1cc([C@@H](C)[NH3+])ccc1O[C@H](C)C(N)=O ZINC000020419840 175012915 /nfs/dbraw/zinc/01/29/15/175012915.db2.gz ATRXGMSOYSFZRU-HTQZYQBOSA-N 1 0 238.287 0.968 10 0 BCAERO COc1cc([C@H]([NH3+])CO)c(F)cc1O ZINC000072197892 175017264 /nfs/dbraw/zinc/01/72/64/175017264.db2.gz XKIUQTAKWUXGHJ-SSDOTTSWSA-N 1 0 201.197 0.532 10 0 BCAERO COc1cc2c(c(N)c1OC)CC[NH2+]C2 ZINC000068591448 175019915 /nfs/dbraw/zinc/01/99/15/175019915.db2.gz UZJSFWIWKOGDDI-UHFFFAOYSA-N 1 0 208.261 0.932 10 0 BCAERO COc1ccc(-c2n[nH]c(CC[NH3+])n2)cc1OC ZINC000061844094 175037482 /nfs/dbraw/zinc/03/74/82/175037482.db2.gz RRFLXWRFCHSKMM-UHFFFAOYSA-N 1 0 248.286 0.990 10 0 BCAERO COc1ccc(-c2nnnn2CC[NH3+])cc1C ZINC000077366050 175042685 /nfs/dbraw/zinc/04/26/85/175042685.db2.gz YMBJXFHFKUJKQV-UHFFFAOYSA-N 1 0 233.275 0.616 10 0 BCAERO COc1ccc(C)cc1C(=O)N[C@H]1C[C@@H]1[NH3+] ZINC000052943791 175073907 /nfs/dbraw/zinc/07/39/07/175073907.db2.gz YRJNZHCSWGZDOH-UWVGGRQHSA-N 1 0 220.272 0.833 10 0 BCAERO COc1ccc(C)cc1CN(C)C(=O)C[NH3+] ZINC000040855496 175075292 /nfs/dbraw/zinc/07/52/92/175075292.db2.gz VIPJVCURVFSZAR-UHFFFAOYSA-N 1 0 222.288 0.921 10 0 BCAERO COc1ccc(CC[NH2+]CCO)cc1OC ZINC000020040464 175091283 /nfs/dbraw/zinc/09/12/83/175091283.db2.gz JADZSVBEZNPLNM-UHFFFAOYSA-N 1 0 225.288 0.828 10 0 BCAERO COc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1N ZINC000061709679 175102732 /nfs/dbraw/zinc/10/27/32/175102732.db2.gz SADIGAIPVBJSJW-JTQLQIEISA-N 1 0 222.288 0.844 10 0 BCAERO COc1ccc(C[C@@H]([NH3+])CO)cc1OC ZINC000020268056 175115749 /nfs/dbraw/zinc/11/57/49/175115749.db2.gz KTYIPWPXWFHMBD-SECBINFHSA-N 1 0 211.261 0.566 10 0 BCAERO COc1ccc(N2CC[C@@H]([NH3+])C2=O)cc1OC ZINC000049647344 175139544 /nfs/dbraw/zinc/13/95/44/175139544.db2.gz SDUDUJFKMDXILX-SECBINFHSA-N 1 0 236.271 0.768 10 0 BCAERO COc1ccc(N2CC[C@@H]([NH3+])C2=O)c(OC)c1 ZINC000049647476 175139571 /nfs/dbraw/zinc/13/95/71/175139571.db2.gz UGSDRORYRSQQRS-SECBINFHSA-N 1 0 236.271 0.768 10 0 BCAERO COc1ccc(NC(=O)C[NH2+]C[C@@H](C)O)cc1 ZINC000035101843 175143047 /nfs/dbraw/zinc/14/30/47/175143047.db2.gz LORLDTOZQYAXRF-SECBINFHSA-N 1 0 238.287 0.604 10 0 BCAERO COc1ccc(NC(=O)N[C@H]2C[C@@H]2[NH3+])cc1 ZINC000036263257 175144829 /nfs/dbraw/zinc/14/48/29/175144829.db2.gz QVTNEDALQJNENB-UWVGGRQHSA-N 1 0 221.260 0.916 10 0 BCAERO COc1ccc(OC(=O)NCC[NH3+])cc1 ZINC000025968933 175162737 /nfs/dbraw/zinc/16/27/37/175162737.db2.gz IJXRTCMTJVXONV-UHFFFAOYSA-N 1 0 210.233 0.742 10 0 BCAERO Cc1c(CN2CCO[C@H]([C@H](C)[NH3+])C2)cnn1C ZINC000228365835 487630022 /nfs/dbraw/zinc/63/00/22/487630022.db2.gz OFMSKOFGGAWPDW-CABZTGNLSA-N 1 0 238.335 0.277 10 0 BCAERO COc1ccc([C@@H](N)C[NH3+])c(OC)c1OC ZINC000035677095 175179847 /nfs/dbraw/zinc/17/98/47/175179847.db2.gz XBFOEHUKVHSZLP-QMMMGPOBSA-N 1 0 226.276 0.671 10 0 BCAERO COc1ccc([C@](C)([NH3+])C(N)=O)cc1OC ZINC000037460135 175199666 /nfs/dbraw/zinc/19/96/66/175199666.db2.gz BOMKFTUKYZAHBZ-NSHDSACASA-N 1 0 224.260 0.363 10 0 BCAERO COc1ccc([C@](C)([NH3+])CO)c(OC)c1 ZINC000038124563 175199897 /nfs/dbraw/zinc/19/98/97/175199897.db2.gz JMSWRWMZUVBPPP-LLVKDONJSA-N 1 0 211.261 0.870 10 0 BCAERO COc1ccc2c(c1OC)C[NH2+]C[C@H]2O ZINC000036155578 175223036 /nfs/dbraw/zinc/22/30/36/175223036.db2.gz SPFNWFJSDMUDFU-SECBINFHSA-N 1 0 209.245 0.840 10 0 BCAERO COc1ccc2c(n1)N1[C@H](C2)C[NH2+]C[C@H]1C ZINC000028571968 175223551 /nfs/dbraw/zinc/22/35/51/175223551.db2.gz YMAOSTACJJXCJE-PSASIEDQSA-N 1 0 219.288 0.813 10 0 BCAERO COc1cccc(CC(=O)N[C@H]2C[C@@H]2[NH3+])c1 ZINC000036235132 175250752 /nfs/dbraw/zinc/25/07/52/175250752.db2.gz PZUIAEADKQDMEQ-QWRGUYRKSA-N 1 0 220.272 0.454 10 0 BCAERO COc1cccc(CC(=O)N[C@@H]2C[C@@H]2[NH3+])c1 ZINC000036235130 175251168 /nfs/dbraw/zinc/25/11/68/175251168.db2.gz PZUIAEADKQDMEQ-WDEREUQCSA-N 1 0 220.272 0.454 10 0 BCAERO COc1cccc(C[N@@H+]2C[C@@H](O)C[C@@H]2CO)c1 ZINC000179179433 175261910 /nfs/dbraw/zinc/26/19/10/175261910.db2.gz GOFHKJJMVNIZBV-NEPJUHHUSA-N 1 0 237.299 0.623 10 0 BCAERO COc1cccc(C[NH2+][C@@H]2CCC(=O)N[C@H]2C)n1 ZINC000282314501 175266749 /nfs/dbraw/zinc/26/67/49/175266749.db2.gz KRCDJZLGMRRYKC-GXSJLCMTSA-N 1 0 249.314 0.847 10 0 BCAERO COc1cccc(OCCNC(=O)[C@@H](C)[NH3+])c1 ZINC000041280204 175283383 /nfs/dbraw/zinc/28/33/83/175283383.db2.gz GUNQEGQNSXCIRT-SECBINFHSA-N 1 0 238.287 0.537 10 0 BCAERO COc1cccc([C@@H](C[NH2+]CCO)N(C)C)c1 ZINC000020070598 175287606 /nfs/dbraw/zinc/28/76/06/175287606.db2.gz LWLADZUAAQJXET-CYBMUJFWSA-N 1 0 238.331 0.880 10 0 BCAERO COc1cccc([C@H]([NH3+])CN2C(=O)CCC2=O)c1 ZINC000023068201 175293993 /nfs/dbraw/zinc/29/39/93/175293993.db2.gz GRLNDGMNOUKEGY-LLVKDONJSA-N 1 0 248.282 0.844 10 0 BCAERO COc1cccc([C@H](C[NH3+])N(C)CCO)c1 ZINC000020225793 175294192 /nfs/dbraw/zinc/29/41/92/175294192.db2.gz SLBWZGSOFUHCNW-LBPRGKRZSA-N 1 0 224.304 0.619 10 0 BCAERO COc1cccc([C@H]2NC(=O)CC[C@@H]2[NH3+])c1 ZINC000057501519 175296842 /nfs/dbraw/zinc/29/68/42/175296842.db2.gz KMYZQXQFXNJDRL-CMPLNLGQSA-N 1 0 220.272 0.974 10 0 BCAERO COc1ccccc1-n1ncc(C[NH3+])n1 ZINC000062606225 175312727 /nfs/dbraw/zinc/31/27/27/175312727.db2.gz IILAPPGRCVYYKS-UHFFFAOYSA-N 1 0 204.233 0.735 10 0 BCAERO COc1ccccc1CN1CC[C@H]([NH3+])C1=O ZINC000049647467 175327075 /nfs/dbraw/zinc/32/70/75/175327075.db2.gz LBFFMPWROCTJGU-JTQLQIEISA-N 1 0 220.272 0.755 10 0 BCAERO COc1ccccc1C[C@H]1C[NH2+]CCN1 ZINC000095750833 175333943 /nfs/dbraw/zinc/33/39/43/175333943.db2.gz SHSZPVQOMWUTKF-NSHDSACASA-N 1 0 206.289 0.799 10 0 BCAERO COc1ccccc1Cc1n[nH]c(C[NH3+])n1 ZINC000061843852 175335325 /nfs/dbraw/zinc/33/53/25/175335325.db2.gz AYFRPWCGTFUMMC-UHFFFAOYSA-N 1 0 218.260 0.863 10 0 BCAERO COc1ccccc1[C@H](C(N)=O)N1CC[NH2+]CC1 ZINC000037945692 175350939 /nfs/dbraw/zinc/35/09/39/175350939.db2.gz YWDSUIICBIISEH-GFCCVEGCSA-N 1 0 249.314 0.127 10 0 BCAERO COc1ccccc1[C@H](C[NH3+])N1CCNC(=O)C1 ZINC000043096754 175353131 /nfs/dbraw/zinc/35/31/31/175353131.db2.gz LMEJYVHMWAWBBP-NSHDSACASA-N 1 0 249.314 0.127 10 0 BCAERO COc1ccnc(N2C[C@H](C[NH3+])C[C@H]2C)n1 ZINC000127045755 175363029 /nfs/dbraw/zinc/36/30/29/175363029.db2.gz WNXMLYWZNSNNSI-BDAKNGLRSA-N 1 0 222.292 0.659 10 0 BCAERO COc1cncc(N2C[C@@H]3C[NH2+]C[C@@H]32)c1 ZINC000028865872 175386594 /nfs/dbraw/zinc/38/65/94/175386594.db2.gz IBEGQZNIXSCPIN-KWQFWETISA-N 1 0 205.261 0.498 10 0 BCAERO COc1nc(Cl)nc(NC[C@H]2CCC[NH2+]2)n1 ZINC000061514770 175392479 /nfs/dbraw/zinc/39/24/79/175392479.db2.gz SDTFQMGSTMCQDQ-ZCFIWIBFSA-N 1 0 243.698 0.698 10 0 BCAERO COc1nc(Cl)nc(N[C@@H]2C[C@H]2[NH3+])n1 ZINC000061514705 175392936 /nfs/dbraw/zinc/39/29/36/175392936.db2.gz NCNHLXSQUSRIEW-QWWZWVQMSA-N 1 0 215.644 0.045 10 0 BCAERO COc1nccnc1CN1CC[C@H]([NH3+])C1 ZINC000095071604 175412402 /nfs/dbraw/zinc/41/24/02/175412402.db2.gz PLHVSEGLOPFYJW-QMMMGPOBSA-N 1 0 208.265 0.018 10 0 BCAERO CS(=O)(=O)Cc1noc([C@@H]2CCC[NH2+]C2)n1 ZINC000052788418 175426355 /nfs/dbraw/zinc/42/63/55/175426355.db2.gz JVRZACVBHXAJOO-SSDOTTSWSA-N 1 0 245.304 0.081 10 0 BCAERO CS(=O)(=O)c1cccc(C(N)=[NH2+])c1F ZINC000075915139 175438792 /nfs/dbraw/zinc/43/87/92/175438792.db2.gz CDGUPQFUVONPHR-UHFFFAOYSA-N 1 0 216.237 0.513 10 0 BCAERO CSCC(=O)N[C@@H]1CCCC[C@@H]1[NH3+] ZINC000038049044 175461079 /nfs/dbraw/zinc/46/10/79/175461079.db2.gz YANJMCBOFZNLHV-JGVFFNPUSA-N 1 0 202.323 0.736 10 0 BCAERO CS[C@H](C)C(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000237418177 175555362 /nfs/dbraw/zinc/55/53/62/175555362.db2.gz QCQMSJOLUCYCBV-IWSPIJDZSA-N 1 0 216.350 0.982 10 0 BCAERO CSc1nccnc1CN(C)[C@@H]1CC[NH2+]C1 ZINC000095071887 175590707 /nfs/dbraw/zinc/59/07/07/175590707.db2.gz VJKPUXWIKMGJGG-SECBINFHSA-N 1 0 238.360 0.992 10 0 BCAERO C[C@@H](C(=O)N(C)[C@H]1CCC[NH2+]C1)n1cncn1 ZINC000037540930 175602466 /nfs/dbraw/zinc/60/24/66/175602466.db2.gz WGPIINIWYULLPA-UWVGGRQHSA-N 1 0 237.307 0.050 10 0 BCAERO C[C@@H](C(=O)NCc1ccco1)C1C[NH2+]C1 ZINC000129021182 175617329 /nfs/dbraw/zinc/61/73/29/175617329.db2.gz PBMHLTKHFQOISA-MRVPVSSYSA-N 1 0 208.261 0.751 10 0 BCAERO C[C@@H](CC[NH3+])C(=O)NC[C@@H]1CCCO1 ZINC000076582719 175672153 /nfs/dbraw/zinc/67/21/53/175672153.db2.gz CZRRJWAMTXAQIZ-IUCAKERBSA-N 1 0 200.282 0.267 10 0 BCAERO C[C@@H](C[NH3+])C(=O)N[C@@H](C)c1ccncc1 ZINC000044801144 175705240 /nfs/dbraw/zinc/70/52/40/175705240.db2.gz QQGNSWWVSQFZBZ-IUCAKERBSA-N 1 0 207.277 0.854 10 0 BCAERO C[C@@H](C[NH3+])c1noc([C@@H]2COCCO2)n1 ZINC000055305662 175713968 /nfs/dbraw/zinc/71/39/68/175713968.db2.gz GFVAECJMMRZEMK-BQBZGAKWSA-N 1 0 213.237 0.220 10 0 BCAERO C[C@@H](Cc1nccs1)N1CC[NH2+]CC1 ZINC000049815041 175777135 /nfs/dbraw/zinc/77/71/35/175777135.db2.gz JIYWNPABCYVLJP-VIFPVBQESA-N 1 0 211.334 0.979 10 0 BCAERO C[C@@H]([NH3+])CCNC(=O)[C@H]1CCCCO1 ZINC000063169987 175804937 /nfs/dbraw/zinc/80/49/37/175804937.db2.gz GZGSSSXTSIIYLJ-RKDXNWHRSA-N 1 0 200.282 0.409 10 0 BCAERO C[C@@H]([NH3+])c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000019842362 175817940 /nfs/dbraw/zinc/81/79/40/175817940.db2.gz NEVZHRZMVVCKMT-RXMQYKEDSA-N 1 0 205.217 0.236 10 0 BCAERO C[C@@H]([NH2+]CC(=O)NC(N)=O)c1cccs1 ZINC000035135170 175863198 /nfs/dbraw/zinc/86/31/98/175863198.db2.gz XTZBCIWEAXOIQB-ZCFIWIBFSA-N 1 0 227.289 0.594 10 0 BCAERO C[C@@H]([NH2+][C@@H]1CN2CCC1CC2)C(=O)N(C)C ZINC000020306780 175917654 /nfs/dbraw/zinc/91/76/54/175917654.db2.gz DRYORVZTUCSLFT-MWLCHTKSSA-N 1 0 225.336 0.147 10 0 BCAERO C[C@@H](O[C@H]1CC[NH2+]C1)C(=O)N1CCCCC1 ZINC000051782280 176004098 /nfs/dbraw/zinc/00/40/98/176004098.db2.gz OUIHUHDIZLBALF-MNOVXSKESA-N 1 0 226.320 0.766 10 0 BCAERO C[C@@H]([C@@H]1CCC[NH2+]C1)N1C(=O)C[C@@H](C)C1=O ZINC000038051924 176011835 /nfs/dbraw/zinc/01/18/35/176011835.db2.gz LXAFIMXVHBNCES-KXUCPTDWSA-N 1 0 224.304 0.770 10 0 BCAERO C[C@@H]([C@@H]1CCCC[NH2+]1)N1CCCNC1=O ZINC000043373335 176011989 /nfs/dbraw/zinc/01/19/89/176011989.db2.gz AUMMZAPSGVGSQP-UWVGGRQHSA-N 1 0 211.309 0.932 10 0 BCAERO C[C@@H](c1ccc(F)cc1)n1nnnc1C[NH3+] ZINC000054747373 176015480 /nfs/dbraw/zinc/01/54/80/176015480.db2.gz MDZUEZQHKGODDL-ZETCQYMHSA-N 1 0 221.239 0.880 10 0 BCAERO C[C@@H](c1cnccn1)N1CCC[C@@H]1C[NH3+] ZINC000095068292 176037407 /nfs/dbraw/zinc/03/74/07/176037407.db2.gz LPHKPXRBYYEFSD-VHSXEESVSA-N 1 0 206.293 0.961 10 0 BCAERO C[C@@H]1C(=O)NCCN1C[C@H]([NH3+])c1ccccc1 ZINC000104318969 176046364 /nfs/dbraw/zinc/04/63/64/176046364.db2.gz BOUOJIWCDILGDC-PWSUYJOCSA-N 1 0 233.315 0.507 10 0 BCAERO C[C@@H]1CC(=O)N(C2CCC([NH3+])CC2)C1=O ZINC000104797074 176048743 /nfs/dbraw/zinc/04/87/43/176048743.db2.gz PJGIFKYAGNALAY-AFPNSQJFSA-N 1 0 210.277 0.651 10 0 BCAERO C[C@@H]1CCCC[C@@]1(C(N)=O)N1CC[NH2+]CC1 ZINC000037945620 176083337 /nfs/dbraw/zinc/08/33/37/176083337.db2.gz NXLCBEXEGKXTJL-ZYHUDNBSSA-N 1 0 225.336 0.326 10 0 BCAERO C[C@@H]1CCCC[C@]1(CO)[NH+]1CCNCC1 ZINC000038120538 176090142 /nfs/dbraw/zinc/09/01/42/176090142.db2.gz DDZSXBMDVJKMHJ-VXGBXAGGSA-N 1 0 212.337 0.833 10 0 BCAERO C[C@@H]1CCC[N@H+](CC[C@H]([NH3+])C(=O)[O-])C1 ZINC000062441096 176098658 /nfs/dbraw/zinc/09/86/58/176098658.db2.gz UHDGRPJZZAWQDF-BDAKNGLRSA-N 1 0 200.282 0.520 10 0 BCAERO C[C@@H]1CCCN1C(=O)C1(C[NH3+])CCOCC1 ZINC000044763112 176104065 /nfs/dbraw/zinc/10/40/65/176104065.db2.gz MOPJMOKHERSATI-SNVBAGLBSA-N 1 0 226.320 0.753 10 0 BCAERO C[C@@H]1CCCN1C(=O)CCN1CC[NH2+]CC1 ZINC000082652422 176104508 /nfs/dbraw/zinc/10/45/08/176104508.db2.gz KPQITLFTFOFMHH-LLVKDONJSA-N 1 0 225.336 0.293 10 0 BCAERO C[C@@H]1CCC[NH2+][C@@H]1C(=O)NC1CCOCC1 ZINC000051792983 176111954 /nfs/dbraw/zinc/11/19/54/176111954.db2.gz FAZFTYIFVAQZGI-KOLCDFICSA-N 1 0 226.320 0.670 10 0 BCAERO C[C@@H]1CCC[NH2+][C@@H]1C(=O)N1CCCOCC1 ZINC000061933216 176112026 /nfs/dbraw/zinc/11/20/26/176112026.db2.gz AHINUWNJMXTIKG-MNOVXSKESA-N 1 0 226.320 0.623 10 0 BCAERO C[C@@H]1CCC[NH2+][C@H]1CNC(=O)c1cnn(C)c1 ZINC000071338722 176112365 /nfs/dbraw/zinc/11/23/65/176112365.db2.gz VNNXVNMLBYZOPK-KOLCDFICSA-N 1 0 236.319 0.538 10 0 BCAERO C[C@@H]1CCC[C@@H](C(=O)Nc2ccnn2C)[NH2+]1 ZINC000044593825 176113560 /nfs/dbraw/zinc/11/35/60/176113560.db2.gz QXLOFIALGFPYJA-BDAKNGLRSA-N 1 0 222.292 0.889 10 0 BCAERO C[C@@H]1CCC[C@@H](CN2CCCS2(=O)=O)[NH2+]1 ZINC000051574874 176117637 /nfs/dbraw/zinc/11/76/37/176117637.db2.gz YBKZEONIWBFSAP-ZJUUUORDSA-N 1 0 232.349 0.553 10 0 BCAERO C[C@@H]1CCC[C@H](CNC(=O)c2ccnn2C)[NH2+]1 ZINC000061665447 176138402 /nfs/dbraw/zinc/13/84/02/176138402.db2.gz BMNNLRKEOCESCF-NXEZZACHSA-N 1 0 236.319 0.681 10 0 BCAERO C[C@@H]1CCC[C@](CO)(NC(=O)C(C)(C)[NH3+])C1 ZINC000053127467 176151972 /nfs/dbraw/zinc/15/19/72/176151972.db2.gz MKMMKGWJWSIHFP-SKDRFNHKSA-N 1 0 228.336 0.781 10 0 BCAERO C[C@@H]1CCN(CCC(=O)N(C)C)[C@@H](C[NH3+])C1 ZINC000224842856 176169132 /nfs/dbraw/zinc/16/91/32/176169132.db2.gz YIOAISQEVXRNIV-GHMZBOCLSA-N 1 0 227.352 0.524 10 0 BCAERO C[C@@H]1CC[C@@H](C(=O)N2CCC(O)CC2)C[C@@H]1[NH3+] ZINC000055123847 176194324 /nfs/dbraw/zinc/19/43/24/176194324.db2.gz PUNMNRASVMCESD-FOGDFJRCSA-N 1 0 240.347 0.733 10 0 BCAERO C[C@@H]1CC[C@@H](C(=O)NCCn2cccn2)C[NH2+]1 ZINC000042542760 176195486 /nfs/dbraw/zinc/19/54/86/176195486.db2.gz YHESQMMJPZMOAL-GHMZBOCLSA-N 1 0 236.319 0.387 10 0 BCAERO C[C@@H]1CC[C@@H](C[NH3+])CN1c1nccn1C ZINC000053704624 176202874 /nfs/dbraw/zinc/20/28/74/176202874.db2.gz QEJVADFRWYWYHC-ZJUUUORDSA-N 1 0 208.309 0.984 10 0 BCAERO C[C@@H]1CC[C@H](C[NH3+])CN1c1nccn1C ZINC000053704617 176224474 /nfs/dbraw/zinc/22/44/74/176224474.db2.gz QEJVADFRWYWYHC-NXEZZACHSA-N 1 0 208.309 0.984 10 0 BCAERO C[C@@H]1CN(C(=O)CSCC[NH3+])C[C@@H](C)O1 ZINC000037035670 176247451 /nfs/dbraw/zinc/24/74/51/176247451.db2.gz LGXMJTPLSUHHTI-RKDXNWHRSA-N 1 0 232.349 0.314 10 0 BCAERO C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2C2CC2)CC[NH2+]1 ZINC000237608781 176256574 /nfs/dbraw/zinc/25/65/74/176256574.db2.gz NJBBLZDSMKVZPM-FBIMIBRVSA-N 1 0 208.305 0.853 10 0 BCAERO C[C@@H]1CN(C(=O)[C@H]([NH3+])c2ccccc2)CCN1C ZINC000104138634 176257747 /nfs/dbraw/zinc/25/77/47/176257747.db2.gz QPPSPDPCCTZQMP-DGCLKSJQSA-N 1 0 247.342 0.849 10 0 BCAERO C[C@@H]1CN(C(=O)c2cn[nH]c2)C[C@@H]1[NH+](C)C ZINC000089710372 176264591 /nfs/dbraw/zinc/26/45/91/176264591.db2.gz DQCNJSRLZRIMFT-SCZZXKLOSA-N 1 0 222.292 0.432 10 0 BCAERO C[C@@H]1CN(CC(=O)N2CCCCC2)C[C@@H]1[NH3+] ZINC000235336462 176282936 /nfs/dbraw/zinc/28/29/36/176282936.db2.gz XFPLVUOICZGFQW-MNOVXSKESA-N 1 0 225.336 0.278 10 0 BCAERO C[C@@H]1C[N@H+](CCn2cc(N)cn2)CC(C)(C)O1 ZINC000050614914 176296435 /nfs/dbraw/zinc/29/64/35/176296435.db2.gz PPGKDRXMQXTSQD-SNVBAGLBSA-N 1 0 238.335 0.965 10 0 BCAERO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](O)[C@H]1O ZINC000255996269 176305970 /nfs/dbraw/zinc/30/59/70/176305970.db2.gz QDARHTWIIRQYKT-WXHSDQCUSA-N 1 0 221.300 0.860 10 0 BCAERO C[C@@H]1CN(Cc2cccnc2C[NH3+])CCO1 ZINC000061656423 176307719 /nfs/dbraw/zinc/30/77/19/176307719.db2.gz PLIDFGSIJJSRPN-SNVBAGLBSA-N 1 0 221.304 0.761 10 0 BCAERO C[C@@H]1CN(Cc2nccnc2Cl)CC[NH2+]1 ZINC000095069495 176312022 /nfs/dbraw/zinc/31/20/22/176312022.db2.gz SHDXCPUACGUSRR-MRVPVSSYSA-N 1 0 226.711 0.924 10 0 BCAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cnccn1 ZINC000113226324 176323115 /nfs/dbraw/zinc/32/31/15/176323115.db2.gz SJJSKMDBIDDYOK-GHMZBOCLSA-N 1 0 246.314 0.785 10 0 BCAERO C[C@@H]1C[NH+]=C(N[C@@H]2CCS(=O)(=O)C2)S1 ZINC000035294820 176324776 /nfs/dbraw/zinc/32/47/76/176324776.db2.gz GETRIIZLPPKSAR-RNFRBKRXSA-N 1 0 234.346 0.254 10 0 BCAERO C[C@@H]1C[NH+]=C(NCCN2CCOCC2)S1 ZINC000035295025 176324835 /nfs/dbraw/zinc/32/48/35/176324835.db2.gz YSGOUQJKUIFBJP-SECBINFHSA-N 1 0 229.349 0.400 10 0 BCAERO C[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1C[C@H]1C1CC1 ZINC000124874400 176325398 /nfs/dbraw/zinc/32/53/98/176325398.db2.gz ZYICVMBCOIIJDV-DVVUODLYSA-N 1 0 208.305 0.853 10 0 BCAERO C[C@@H]1C[NH2+]CCN1CCc1ccccn1 ZINC000054374522 176327058 /nfs/dbraw/zinc/32/70/58/176327058.db2.gz PKTQRHBPOTTYRB-LLVKDONJSA-N 1 0 205.305 0.918 10 0 BCAERO C[C@@H]1C[NH2+]CCN1CC(=O)c1ccc[nH]1 ZINC000095069593 176327302 /nfs/dbraw/zinc/32/73/02/176327302.db2.gz XWERGNIYOXNBEU-SECBINFHSA-N 1 0 207.277 0.491 10 0 BCAERO C[C@@H]1C[NH2+]C[C@@H]1C(=O)NCCc1ccccn1 ZINC000104225550 176329037 /nfs/dbraw/zinc/32/90/37/176329037.db2.gz CUUFZVFJYHRFRO-PWSUYJOCSA-N 1 0 233.315 0.596 10 0 BCAERO C[C@@H]1COCCN1C(=O)C1(C[NH3+])CCCC1 ZINC000044762717 176333654 /nfs/dbraw/zinc/33/36/54/176333654.db2.gz RXLODTAJXZJSSE-SNVBAGLBSA-N 1 0 226.320 0.753 10 0 BCAERO C[C@@H]1COCCN1C(=O)C[C@@H]1CCCC[NH2+]1 ZINC000035777673 176334337 /nfs/dbraw/zinc/33/43/37/176334337.db2.gz REYFGZANPZZRJM-MNOVXSKESA-N 1 0 226.320 0.766 10 0 BCAERO C[C@@H]1COCCN1C(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000227877488 176334933 /nfs/dbraw/zinc/33/49/33/176334933.db2.gz PUQUMAORPRWZLZ-KXUCPTDWSA-N 1 0 212.293 0.361 10 0 BCAERO C[C@@H]1CSC(NCCn2cccn2)=[NH+]1 ZINC000042542193 176349029 /nfs/dbraw/zinc/34/90/29/176349029.db2.gz AUZGMMBLSSWACL-MRVPVSSYSA-N 1 0 210.306 0.964 10 0 BCAERO C[C@@H]1CSC(N[C@]2(C)CCS(=O)(=O)C2)=[NH+]1 ZINC000044931829 176349150 /nfs/dbraw/zinc/34/91/50/176349150.db2.gz WRQSHTKVBMWRML-VXNVDRBHSA-N 1 0 248.373 0.645 10 0 BCAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)c1ccccn1 ZINC000309063146 176494235 /nfs/dbraw/zinc/49/42/35/176494235.db2.gz XIHMYQPBRSJYTE-BDAKNGLRSA-N 1 0 205.261 0.643 10 0 BCAERO C[C@@](CO)(c1ccncc1)N1CC[NH2+]CC1 ZINC000038120682 176510175 /nfs/dbraw/zinc/51/01/75/176510175.db2.gz QOSSPZAMTJOTRW-GFCCVEGCSA-N 1 0 221.304 0.194 10 0 BCAERO C[C@@]1(C(=O)N2CCC[C@@H](CO)C2)CCC[NH2+]C1 ZINC000062854333 176523182 /nfs/dbraw/zinc/52/31/82/176523182.db2.gz XPBKVHFANHTVTM-DGCLKSJQSA-N 1 0 240.347 0.607 10 0 BCAERO C[C@@]1(C(=O)NC[C@@H]2CCOC2)CC[NH2+]C1 ZINC000062893938 176524860 /nfs/dbraw/zinc/52/48/60/176524860.db2.gz WDSFKXOPTNZCCR-GXSJLCMTSA-N 1 0 212.293 0.139 10 0 BCAERO C[C@@]1(Nc2cc[nH+]cc2N)CCS(=O)(=O)C1 ZINC000044923887 176540511 /nfs/dbraw/zinc/54/05/11/176540511.db2.gz WYQQEXCOTKJIIB-SNVBAGLBSA-N 1 0 241.316 0.653 10 0 BCAERO C[C@H](CC[NH3+])C(=O)NCc1ccccn1 ZINC000076584029 176626764 /nfs/dbraw/zinc/62/67/64/176626764.db2.gz NDUIGXVUBGJGSJ-SECBINFHSA-N 1 0 207.277 0.683 10 0 BCAERO C[C@H](C[NH3+])CN(C)C(=O)c1ccccn1 ZINC000042454893 176658030 /nfs/dbraw/zinc/65/80/30/176658030.db2.gz DITZCRWHBUBSMV-SECBINFHSA-N 1 0 207.277 0.748 10 0 BCAERO C[C@H](C[NH3+])NC(=O)c1cnn(-c2ccccc2)c1 ZINC000111727716 176662379 /nfs/dbraw/zinc/66/23/79/176662379.db2.gz GESFHXSDCUKCAY-SNVBAGLBSA-N 1 0 244.298 0.949 10 0 BCAERO C[C@H]([NH3+])[C@@H](c1cnn(C)c1)N(C)C1CC1 ZINC000043126968 176765889 /nfs/dbraw/zinc/76/58/89/176765889.db2.gz SYIQMSXXIULETC-KWQFWETISA-N 1 0 208.309 0.903 10 0 BCAERO C[C@H]([NH3+])[C@H](c1ccccn1)n1cncn1 ZINC000043341255 176771244 /nfs/dbraw/zinc/77/12/44/176771244.db2.gz HRHCMHUGLBZVFW-WCBMZHEXSA-N 1 0 203.249 0.610 10 0 BCAERO C[C@H]([NH3+])c1ccc2c(c1)n(C)c(=O)n2C ZINC000051392373 176777443 /nfs/dbraw/zinc/77/74/43/176777443.db2.gz YJVQVQQDLXFBOU-ZETCQYMHSA-N 1 0 205.261 0.897 10 0 BCAERO CCN1CCO[C@H](C[NH2+][C@H]2CN(C)C[C@H]2C)C1 ZINC000674882159 487635818 /nfs/dbraw/zinc/63/58/18/487635818.db2.gz GTXPCPOLDQLQOY-UPJWGTAASA-N 1 0 241.379 0.247 10 0 BCAERO C[C@H]([NH2+]C[C@@H](O)c1cc(F)ccc1F)C(N)=O ZINC000037891154 176859511 /nfs/dbraw/zinc/85/95/11/176859511.db2.gz VBTPJQUBGLMVOT-QUBYGPBYSA-N 1 0 244.241 0.462 10 0 BCAERO C[C@H]([NH2+][C@@H]1CCN(C)C1)C(=O)NC(C)(C)C ZINC000042547718 176899040 /nfs/dbraw/zinc/89/90/40/176899040.db2.gz MNMAKWPPFMONEI-VHSXEESVSA-N 1 0 227.352 0.583 10 0 BCAERO C[C@H](OC1CC[NH2+]CC1)C(=O)N(C)C ZINC000036963142 177020376 /nfs/dbraw/zinc/02/03/76/177020376.db2.gz SXFHDPNBXJTOLU-QMMMGPOBSA-N 1 0 200.282 0.232 10 0 BCAERO C[C@H](OC1CCC1)C(=O)N1CC[NH2+]CC1 ZINC000050520577 177020631 /nfs/dbraw/zinc/02/06/31/177020631.db2.gz ODVDGZNESSKMTE-VIFPVBQESA-N 1 0 212.293 0.376 10 0 BCAERO C[C@H](O[C@H]1CCC[NH2+]C1)C(=O)N(C)C ZINC000020422840 177021738 /nfs/dbraw/zinc/02/17/38/177021738.db2.gz VRADJHFOQVKIBY-IUCAKERBSA-N 1 0 200.282 0.232 10 0 BCAERO C[C@H]([C@@H](O)c1ccccc1)N(C)C(=O)C[NH3+] ZINC000006468926 177030582 /nfs/dbraw/zinc/03/05/82/177030582.db2.gz RASDPMXCBLHKCI-BXKDBHETSA-N 1 0 222.288 0.526 10 0 BCAERO C[C@H](c1ccccc1)[C@@H]([NH2+]CCN(C)C)C(N)=O ZINC000041085315 177040553 /nfs/dbraw/zinc/04/05/53/177040553.db2.gz MTDWSJLAAKJVEK-DGCLKSJQSA-N 1 0 249.358 0.795 10 0 BCAERO C[C@H](c1cccs1)n1nnnc1C[NH3+] ZINC000054746175 177050304 /nfs/dbraw/zinc/05/03/04/177050304.db2.gz AACNTJMLWPPYDQ-ZCFIWIBFSA-N 1 0 209.278 0.803 10 0 BCAERO C[C@H]1CC(=O)N(CC[C@H]2CCC[NH2+]C2)C1=O ZINC000038051932 177061529 /nfs/dbraw/zinc/06/15/29/177061529.db2.gz BAWREVRVJAKYSV-VHSXEESVSA-N 1 0 224.304 0.771 10 0 BCAERO C[C@H]1CC(=O)N(C[C@@H]2CCCC[NH2+]2)C1=O ZINC000103378785 177061683 /nfs/dbraw/zinc/06/16/83/177061683.db2.gz DCBOANCCPBRFAZ-IUCAKERBSA-N 1 0 210.277 0.524 10 0 BCAERO C[C@H]1CCCC[C@@]1(C(N)=O)N1CC[NH2+]CC1 ZINC000037945621 177084401 /nfs/dbraw/zinc/08/44/01/177084401.db2.gz NXLCBEXEGKXTJL-CMPLNLGQSA-N 1 0 225.336 0.326 10 0 BCAERO C[C@H]1CCC[N@@H+]1CCn1cc(N)ccc1=O ZINC000037909962 177109291 /nfs/dbraw/zinc/10/92/91/177109291.db2.gz PYVNTJKWHIWNMZ-JTQLQIEISA-N 1 0 221.304 0.915 10 0 BCAERO C[C@H]1CCC[NH2+][C@@H]1CNC(=O)c1cnn(C)c1 ZINC000071338721 177112644 /nfs/dbraw/zinc/11/26/44/177112644.db2.gz VNNXVNMLBYZOPK-GXSJLCMTSA-N 1 0 236.319 0.538 10 0 BCAERO C[C@H]1CCC[NH2+][C@H]1C(=O)NC1CCOCC1 ZINC000051792989 177112705 /nfs/dbraw/zinc/11/27/05/177112705.db2.gz FAZFTYIFVAQZGI-GXSJLCMTSA-N 1 0 226.320 0.670 10 0 BCAERO C[C@H]1CCC[C@@H](C(=O)N2CCC(O)CC2)[NH2+]1 ZINC000019430762 177112801 /nfs/dbraw/zinc/11/28/01/177112801.db2.gz DEDLGVFRMOHSEA-ONGXEEELSA-N 1 0 226.320 0.500 10 0 BCAERO C[C@H]1CCC[NH2+][C@@H]1C(=O)N1CCN(C)CC1 ZINC000051791986 177113021 /nfs/dbraw/zinc/11/30/21/177113021.db2.gz LFMQBDCAOWQFGP-QWRGUYRKSA-N 1 0 225.336 0.149 10 0 BCAERO C[C@H]1CCC[NH2+][C@H]1C(=O)N1CCC(O)CC1 ZINC000051790699 177113029 /nfs/dbraw/zinc/11/30/29/177113029.db2.gz RNJDXJUUEMJTIV-GXSJLCMTSA-N 1 0 226.320 0.358 10 0 BCAERO C[C@H]1CCC[C@@H]([NH3+])[C@@H]1C(=O)NC[C@@H]1CCOC1 ZINC000061148909 177121198 /nfs/dbraw/zinc/12/11/98/177121198.db2.gz IIEMATCFHDTKKF-NNYUYHANSA-N 1 0 240.347 0.903 10 0 BCAERO C[C@H]1CCC[C@@](CO)(NC(=O)[C@@H]2CC[NH2+]C2)C1 ZINC000062116879 177127557 /nfs/dbraw/zinc/12/75/57/177127557.db2.gz SGKOBQYZSQGTRA-DMDPSCGWSA-N 1 0 240.347 0.653 10 0 BCAERO C[C@H]1CCC[C@@](CO)(NC(=O)CC[NH3+])C1 ZINC000053127798 177127839 /nfs/dbraw/zinc/12/78/39/177127839.db2.gz QGGPNIVBZRVXEW-GXSJLCMTSA-N 1 0 214.309 0.393 10 0 BCAERO C[C@H]1CCC[C@H](C(=O)NC[C@@H]2COCCO2)[NH2+]1 ZINC000038063076 177129244 /nfs/dbraw/zinc/12/92/44/177129244.db2.gz DOVWFRXKPCCKIN-HBNTYKKESA-N 1 0 242.319 0.049 10 0 BCAERO C[C@H]1CCC[C@H](C)[NH+]1CCN=NC(N)N ZINC000039109358 177130906 /nfs/dbraw/zinc/13/09/06/177130906.db2.gz IAIFTMSURQBMNY-IUCAKERBSA-N 1 0 213.329 0.237 10 0 BCAERO C[C@H]1CCN(CC(=O)N(C)C)[C@H](C[NH3+])C1 ZINC000082643368 177157537 /nfs/dbraw/zinc/15/75/37/177157537.db2.gz YOOLSLXDFGGYIB-UWVGGRQHSA-N 1 0 213.325 0.134 10 0 BCAERO C[C@H]1CCN(CC(=O)NC(C)(C)C)[C@@H](C[NH3+])C1 ZINC000224846652 177159277 /nfs/dbraw/zinc/15/92/77/177159277.db2.gz RZNHMSPPRFAAFS-WDEREUQCSA-N 1 0 241.379 0.960 10 0 BCAERO C[C@H]1CC[C@@H](C(=O)N2CCC(O)CC2)C[C@@H]1[NH3+] ZINC000055123848 177181053 /nfs/dbraw/zinc/18/10/53/177181053.db2.gz PUNMNRASVMCESD-UMNHJUIQSA-N 1 0 240.347 0.733 10 0 BCAERO C[C@H]1CC[C@@H](C(=O)N2CCC(O)CC2)C[NH2+]1 ZINC000019470162 177181287 /nfs/dbraw/zinc/18/12/87/177181287.db2.gz FLLSSWKOFZCDTB-VHSXEESVSA-N 1 0 226.320 0.358 10 0 BCAERO C[C@H]1CC[C@@H](C(N)=O)CN1CC(=O)c1ccc[nH]1 ZINC000042438107 177182121 /nfs/dbraw/zinc/18/21/21/177182121.db2.gz BCFIOJNDMFUGNJ-VHSXEESVSA-N 1 0 249.314 0.783 10 0 BCAERO C[C@H]1CC[C@@H](CN2C(=O)CCCC2=O)C[NH2+]1 ZINC000062037677 177189014 /nfs/dbraw/zinc/18/90/14/177189014.db2.gz MCOPVLXYTGKRTC-VHSXEESVSA-N 1 0 224.304 0.914 10 0 BCAERO C[C@H]1CC[C@@H](CNS(=O)(=O)C(F)F)C[NH2+]1 ZINC000062037450 177190512 /nfs/dbraw/zinc/19/05/12/177190512.db2.gz QBNVROMQFVTKLE-NKWVEPMBSA-N 1 0 242.291 0.517 10 0 BCAERO C[C@H]1CC[C@@H]1[NH2+]C1CCS(=O)(=O)CC1 ZINC000307551330 177194941 /nfs/dbraw/zinc/19/49/41/177194941.db2.gz RZTLNBSZZVYZLM-WPRPVWTQSA-N 1 0 217.334 0.952 10 0 BCAERO C[C@H]1CC[C@H](C[NH3+])CN1c1nccn1C ZINC000053704620 177201062 /nfs/dbraw/zinc/20/10/62/177201062.db2.gz QEJVADFRWYWYHC-VHSXEESVSA-N 1 0 208.309 0.984 10 0 BCAERO C[C@H]1CN(C(=O)C(F)(F)C(F)F)C[C@H]1[NH3+] ZINC000235607399 177211511 /nfs/dbraw/zinc/21/15/11/177211511.db2.gz VLBAVZWFODNPRM-CRCLSJGQSA-N 1 0 228.189 0.692 10 0 BCAERO C[C@H]1CN(C(=O)C(F)(F)F)CCC[NH2+]1 ZINC000062570223 177211739 /nfs/dbraw/zinc/21/17/39/177211739.db2.gz QZDCNXHSLHWDEG-LURJTMIESA-N 1 0 210.199 0.759 10 0 BCAERO C[C@H]1CN(C(=O)C2(C)C[NH2+]C2)CCS1 ZINC000307120180 177212442 /nfs/dbraw/zinc/21/24/42/177212442.db2.gz HFNOMAMQYWYTNS-QMMMGPOBSA-N 1 0 214.334 0.560 10 0 BCAERO Cc1nncn1CCNC(=O)[C@H]([NH3+])CC(C)C ZINC000236717366 487637591 /nfs/dbraw/zinc/63/75/91/487637591.db2.gz IPZZMWXFYMMADE-SNVBAGLBSA-N 1 0 239.323 0.076 10 0 BCAERO C[C@H]1CN(C(=O)NC2CCC2)[C@@H](C)C[NH2+]1 ZINC000128010508 177219868 /nfs/dbraw/zinc/21/98/68/177219868.db2.gz UUYZQJASIRMWPV-IUCAKERBSA-N 1 0 211.309 0.931 10 0 BCAERO C[C@@H]1CO[C@@H](C)CN1C(=O)N1CC[NH2+]CC1 ZINC000035783723 177220175 /nfs/dbraw/zinc/22/01/75/177220175.db2.gz LKGIJBICENMZQY-ZJUUUORDSA-N 1 0 227.308 0.121 10 0 BCAERO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)[C@H]1CCCO1 ZINC000163650434 177224902 /nfs/dbraw/zinc/22/49/02/177224902.db2.gz YADYLRYPZVVJPG-IVZWLZJFSA-N 1 0 212.293 0.374 10 0 BCAERO C[C@H]1CN(C(=O)c2cc(F)ccc2O)CC[NH2+]1 ZINC000128542250 177226030 /nfs/dbraw/zinc/22/60/30/177226030.db2.gz OOFMRTLMJZVQHC-QMMMGPOBSA-N 1 0 238.262 0.965 10 0 BCAERO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)c1cncc(O)c1 ZINC000086467856 177230700 /nfs/dbraw/zinc/23/07/00/177230700.db2.gz KXYDSDPRBZVURD-DTWKUNHWSA-N 1 0 235.287 0.610 10 0 BCAERO C[C@@H]1CO[C@@H](C)CN1C1(C[NH3+])CCOCC1 ZINC000036304963 177241171 /nfs/dbraw/zinc/24/11/71/177241171.db2.gz PCOMUNOEZOEOTG-MNOVXSKESA-N 1 0 228.336 0.604 10 0 BCAERO C[C@@H]1CN(Cc2cc(C[NH3+])no2)C[C@H](C)O1 ZINC000052380603 177261350 /nfs/dbraw/zinc/26/13/50/177261350.db2.gz FSMGRSNOAIJHPW-DTORHVGOSA-N 1 0 225.292 0.743 10 0 BCAERO C[C@H]1CN(Cc2ccccn2)C[C@H](C[NH3+])O1 ZINC000071523394 177265728 /nfs/dbraw/zinc/26/57/28/177265728.db2.gz NYESEGZBIFEDII-JQWIXIFHSA-N 1 0 221.304 0.630 10 0 BCAERO C[C@@H](O)C[N@@H+]1CCN(Cc2ccccn2)C[C@@H]1C ZINC000105911954 177266541 /nfs/dbraw/zinc/26/65/41/177266541.db2.gz XWQACLRIEHAWRS-QWHCGFSZSA-N 1 0 249.358 0.969 10 0 BCAERO C[C@H]1CN(Cc2nccnc2Cl)CC[NH2+]1 ZINC000095069496 177271684 /nfs/dbraw/zinc/27/16/84/177271684.db2.gz SHDXCPUACGUSRR-QMMMGPOBSA-N 1 0 226.711 0.924 10 0 BCAERO C[C@H]1CN(c2nccc(CO)n2)C[C@H]1[NH+](C)C ZINC000341380819 177278373 /nfs/dbraw/zinc/27/83/73/177278373.db2.gz PBLLHBKTEKYLQA-GXSJLCMTSA-N 1 0 236.319 0.355 10 0 BCAERO C[C@H]1C[N@@H+]2C[C@H](O)C[C@H]2CN1Cc1ccncc1 ZINC000072397581 177280434 /nfs/dbraw/zinc/28/04/34/177280434.db2.gz ZVBFTPDSRCSROH-FPMFFAJLSA-N 1 0 247.342 0.721 10 0 BCAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1CCCCO ZINC000082699248 177280824 /nfs/dbraw/zinc/28/08/24/177280824.db2.gz KFCWVNGMPWSSCN-NWDGAFQWSA-N 1 0 212.337 0.927 10 0 BCAERO C[C@H]1C[NH2+]CCN1CCc1ccccn1 ZINC000054374524 177284316 /nfs/dbraw/zinc/28/43/16/177284316.db2.gz PKTQRHBPOTTYRB-NSHDSACASA-N 1 0 205.305 0.918 10 0 BCAERO C[C@H]1C[NH2+]CC[C@]1(Nc1ccccc1)C(N)=O ZINC000033605085 177285093 /nfs/dbraw/zinc/28/50/93/177285093.db2.gz AYSXUQVRTPEXOH-GXFFZTMASA-N 1 0 233.315 0.952 10 0 BCAERO C[C@H]1C[NH2+]C[C@H](C)OCCOCCOCCO1 ZINC000038634578 177286326 /nfs/dbraw/zinc/28/63/26/177286326.db2.gz HXTDELPHJPMEDJ-RYUDHWBXSA-N 1 0 247.335 0.433 10 0 BCAERO C[C@@H]1CCC[C@H](C(=O)N2CCOC[C@@H]2C)[C@@H]1[NH3+] ZINC000055127622 177289829 /nfs/dbraw/zinc/28/98/29/177289829.db2.gz XUYMMGLIDJVWOE-NOOOWODRSA-N 1 0 240.347 0.997 10 0 BCAERO C[C@H]1COCCN1C(=O)[C@H]([NH3+])c1ccccc1 ZINC000035776561 177290284 /nfs/dbraw/zinc/29/02/84/177290284.db2.gz LTLIVPCTIXIOAT-CMPLNLGQSA-N 1 0 234.299 0.934 10 0 BCAERO C[C@@H]1CN(C(=O)n2cc[n+](C)c2)[C@@H](C)CO1 ZINC000035788864 177302406 /nfs/dbraw/zinc/30/24/06/177302406.db2.gz BOVIDSGRFAUSCX-VHSXEESVSA-N 1 0 224.284 0.390 10 0 BCAERO C[C@H]1CSC(NCCn2cccn2)=[NH+]1 ZINC000042542196 177302966 /nfs/dbraw/zinc/30/29/66/177302966.db2.gz AUZGMMBLSSWACL-QMMMGPOBSA-N 1 0 210.306 0.964 10 0 BCAERO C[C@H]1CSC(NC[C@@H]2CCS(=O)(=O)C2)=[NH+]1 ZINC000050602979 177303381 /nfs/dbraw/zinc/30/33/81/177303381.db2.gz GGGRPHWSMGSQLP-YUMQZZPRSA-N 1 0 248.373 0.502 10 0 BCAERO C[C@@H]1C[C@H](C)CN(S(=O)(=O)CCC[NH3+])C1 ZINC000037719437 177314520 /nfs/dbraw/zinc/31/45/20/177314520.db2.gz BCSAMPDPFJVSLN-AOOOYVTPSA-N 1 0 234.365 0.643 10 0 BCAERO C[C@H]1C[C@@H]1NS(=O)(=O)c1ccccc1C[NH3+] ZINC000052287432 177350183 /nfs/dbraw/zinc/35/01/83/177350183.db2.gz JDLXQJIGDNHGNV-WPRPVWTQSA-N 1 0 240.328 0.832 10 0 BCAERO C[C@H]1C[C@H]1NC(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000262008734 177383853 /nfs/dbraw/zinc/38/38/53/177383853.db2.gz VIRMKMAOUCKZOU-ZDDJMSTPSA-N 1 0 248.330 0.248 10 0 BCAERO C[C@H]1NC(=O)CC[C@@H]1[NH2+]CC(C)(C)O ZINC000306426635 177392974 /nfs/dbraw/zinc/39/29/74/177392974.db2.gz KNVVFNYKWKWCCJ-SFYZADRCSA-N 1 0 200.282 0.014 10 0 BCAERO C[C@H]1NC(=O)CC[C@@H]1[NH2+]Cc1ccnn1C ZINC000336728098 177393193 /nfs/dbraw/zinc/39/31/93/177393193.db2.gz CGOZEDFTYTWPBB-SCZZXKLOSA-N 1 0 222.292 0.177 10 0 BCAERO C[C@H]1NC(=O)CC[C@H]1[NH2+]CCc1cccnc1 ZINC000282375188 177394121 /nfs/dbraw/zinc/39/41/21/177394121.db2.gz ODYRAJHQXNXANC-ZYHUDNBSSA-N 1 0 233.315 0.881 10 0 BCAERO C[C@H]1[NH2+]CCC[C@@H]1C(=O)NCC(F)F ZINC000147778344 177395076 /nfs/dbraw/zinc/39/50/76/177395076.db2.gz MTWGGDADDWSFMR-RQJHMYQMSA-N 1 0 206.236 0.756 10 0 BCAERO C[C@H]1[NH2+]CCC[C@@H]1Nc1ccc(C(N)=O)cn1 ZINC000229610003 177395251 /nfs/dbraw/zinc/39/52/51/177395251.db2.gz MRKBRHMVLKYULS-SCZZXKLOSA-N 1 0 234.303 0.733 10 0 BCAERO C[C@H]1[NH2+]CCC[C@@H]1C(=O)N1CCSCC1 ZINC000335593308 177395490 /nfs/dbraw/zinc/39/54/90/177395490.db2.gz BOBJKLOHUATXOS-ZJUUUORDSA-N 1 0 228.361 0.950 10 0 BCAERO C[C@H]1[NH2+]CCC[C@@H]1Nc1ccnc(C(N)=O)c1 ZINC000229599484 177395510 /nfs/dbraw/zinc/39/55/10/177395510.db2.gz AQRBGKKWKGCXBO-SCZZXKLOSA-N 1 0 234.303 0.733 10 0 BCAERO C[C@H]1[C@@H](O)CCC[N@@H+]1CCc1ccnn1C ZINC000296169736 177422306 /nfs/dbraw/zinc/42/23/06/177422306.db2.gz KXFHQANAZOSQRW-JQWIXIFHSA-N 1 0 223.320 0.808 10 0 BCAERO C[C@H]1[C@H]([NH3+])CCN1C(=O)CCc1ccccn1 ZINC000335801868 177434278 /nfs/dbraw/zinc/43/42/78/177434278.db2.gz HBDGUVLDXTWZGB-CMPLNLGQSA-N 1 0 233.315 0.962 10 0 BCAERO C[n+]1ccc(-c2nn3cnnc3s2)cc1 ZINC000226773679 177500965 /nfs/dbraw/zinc/50/09/65/177500965.db2.gz WHVOZQRLWXYXFQ-UHFFFAOYSA-N 1 0 218.265 0.677 10 0 BCAERO Cc1c(C[NH2+]CCCCCO)cnn1C ZINC000228732144 177591007 /nfs/dbraw/zinc/59/10/07/177591007.db2.gz APJPOIUGXHRHJZ-UHFFFAOYSA-N 1 0 211.309 0.981 10 0 BCAERO Cc1c(C[NH2+][C@@H](CO)CC(F)F)cnn1C ZINC000336693630 177593378 /nfs/dbraw/zinc/59/33/78/177593378.db2.gz LHZFJNMVDKILQW-SECBINFHSA-N 1 0 233.262 0.834 10 0 BCAERO [NH3+]C[C@H]1CN(C(=O)[C@@H]2C[C@H]3C[C@H]3C2)CCCO1 ZINC000313378173 487640526 /nfs/dbraw/zinc/64/05/26/487640526.db2.gz NMPCOUAZMHGSAD-USZNOCQGSA-N 1 0 238.331 0.609 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)N1CC[C@@](C)(C(N)=O)C1 ZINC000232719148 487642134 /nfs/dbraw/zinc/64/21/34/487642134.db2.gz ZNUUGMOAAUTFLB-BXKDBHETSA-N 1 0 241.335 0.084 10 0 BCAERO CCn1c(C)nnc1CN1CC[NH+](CC)CC1 ZINC000195007099 224896507 /nfs/dbraw/zinc/89/65/07/224896507.db2.gz BKXFNXFEWKXDQS-UHFFFAOYSA-N 1 0 237.351 0.744 10 0 BCAERO C[C@H](NC[C@@H](O)C(F)(F)F)[C@@H]1CCC[NH2+]1 ZINC000400585268 226347556 /nfs/dbraw/zinc/34/75/56/226347556.db2.gz RWTHPPRITNYIRZ-BIIVOSGPSA-N 1 0 226.242 0.640 10 0 BCAERO C[C@H](C(=O)NC(C)(C)C)[N@@H+]1C[C@H](C)C[C@H](O)C1 ZINC000401646363 226360717 /nfs/dbraw/zinc/36/07/17/226360717.db2.gz HZXXFVDBRDVREM-MXWKQRLJSA-N 1 0 242.363 0.992 10 0 BCAERO CO[C@H](CO)c1ccc(N2CC[NH2+]CC2)cc1 ZINC000146594927 487674653 /nfs/dbraw/zinc/67/46/53/487674653.db2.gz WQZWKXPYAGSGIT-CYBMUJFWSA-N 1 0 236.315 0.776 10 0 BCAERO c1nc2ncnc(NC[C@H]3CC[NH2+]C3)c2[nH]1 ZINC000087655266 487675363 /nfs/dbraw/zinc/67/53/63/487675363.db2.gz BHTZELCMKWLDGX-ZETCQYMHSA-N 1 0 218.264 0.374 10 0 BCAERO CC(=O)N[C@@H]1CC[N@H+](C[C@@H]2CCC[C@@H](O)C2)C1 ZINC000383884049 487678513 /nfs/dbraw/zinc/67/85/13/487678513.db2.gz KFIWRROXHTYWLJ-JHJVBQTASA-N 1 0 240.347 0.748 10 0 BCAERO C[NH2+][C@H](C)C(=O)N[C@@H](C)c1ccccn1 ZINC000054072202 487680586 /nfs/dbraw/zinc/68/05/86/487680586.db2.gz QBDPJSZTWUAXLT-DTWKUNHWSA-N 1 0 207.277 0.867 10 0 BCAERO C[NH2+][C@@H](C)C(=O)NCC[C@@H]1CCCO1 ZINC000054075693 487683216 /nfs/dbraw/zinc/68/32/16/487683216.db2.gz WKAMAGIFMFJJSF-IUCAKERBSA-N 1 0 200.282 0.280 10 0 BCAERO C[C@@H](NC(=O)[C@@]1(C)C[NH2+]CCO1)C1CC1 ZINC000637893614 487683264 /nfs/dbraw/zinc/68/32/64/487683264.db2.gz UTXKAKJXDLLZHW-LDYMZIIASA-N 1 0 212.293 0.280 10 0 BCAERO C[C@H](NC(=O)[C@H]1C[NH2+]CCOC1)C1CC1 ZINC000643622032 487685759 /nfs/dbraw/zinc/68/57/59/487685759.db2.gz SKEVFUKMRSLVKM-WPRPVWTQSA-N 1 0 212.293 0.137 10 0 BCAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N[C@@H]1CCOC1 ZINC000087787039 487686557 /nfs/dbraw/zinc/68/65/57/487686557.db2.gz OFNCYEFFHPXCIP-AEJSXWLSSA-N 1 0 212.293 0.280 10 0 BCAERO COC[C@H]([NH3+])C(=O)N(C)[C@@H](C)C1CC1 ZINC000088002912 487697786 /nfs/dbraw/zinc/69/77/86/487697786.db2.gz OTPSJEAGBBFREI-CBAPKCEASA-N 1 0 200.282 0.217 10 0 BCAERO Cc1cncc(Cn2cc(C[NH3+])nn2)c1 ZINC000228635911 487698256 /nfs/dbraw/zinc/69/82/56/487698256.db2.gz DOUZDASCJGABRT-UHFFFAOYSA-N 1 0 203.249 0.489 10 0 BCAERO C[NH+](C)C[C@@H]1CN([C@@H]2CCCC[C@H]2O)CCO1 ZINC000245593249 487701771 /nfs/dbraw/zinc/70/17/71/487701771.db2.gz GVPOXUNSOPIDBE-JHJVBQTASA-N 1 0 242.363 0.552 10 0 BCAERO Cc1cc(NC(=O)C[C@@H]2CC[NH2+]C2)n[nH]1 ZINC000084383621 487706201 /nfs/dbraw/zinc/70/62/01/487706201.db2.gz YWTFYFVSSSSCBS-QMMMGPOBSA-N 1 0 208.265 0.656 10 0 BCAERO CCC[C@@H]1C[C@H]1NC(=O)CN1CC[NH2+]CC1 ZINC000233301639 487708711 /nfs/dbraw/zinc/70/87/11/487708711.db2.gz YJVJHNZWHDOUPR-GHMZBOCLSA-N 1 0 225.336 0.196 10 0 BCAERO CC1(C)C[N@@H+]([C@@H]2CCC[C@H]2O)C[C@H](CO)O1 ZINC000226291956 487709222 /nfs/dbraw/zinc/70/92/22/487709222.db2.gz ZKJURHFLWYABIC-GMTAPVOTSA-N 1 0 229.320 0.372 10 0 BCAERO CC(C)[NH2+]CCC(=O)N[C@H]1CCO[C@H]1C ZINC000134260267 487710708 /nfs/dbraw/zinc/71/07/08/487710708.db2.gz VOPKMKUILXEVOS-UWVGGRQHSA-N 1 0 214.309 0.668 10 0 BCAERO CCCc1nsc(NC[C@@H]2COCC[NH2+]2)n1 ZINC000233411476 487713833 /nfs/dbraw/zinc/71/38/33/487713833.db2.gz VNHYMZDBZSYJRN-MRVPVSSYSA-N 1 0 242.348 0.891 10 0 BCAERO C[NH+](C)[C@H]1CCN(C[C@H](O)C(F)(F)F)C1 ZINC000082680328 487718961 /nfs/dbraw/zinc/71/89/61/487718961.db2.gz XUGQLACOWJGMJQ-YUMQZZPRSA-N 1 0 226.242 0.546 10 0 BCAERO O=S(=O)(CCC1CC1)NC[C@H]1CC[NH2+]C1 ZINC000308895729 487723624 /nfs/dbraw/zinc/72/36/24/487723624.db2.gz SGYVEXWUVZPLNZ-JTQLQIEISA-N 1 0 232.349 0.315 10 0 BCAERO CN(C[C@@H]1CCCO1)C(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000250367841 487730547 /nfs/dbraw/zinc/73/05/47/487730547.db2.gz GNOLFQPKVZLQRI-SDDRHHMPSA-N 1 0 240.347 0.999 10 0 BCAERO CCOC[C@H](O)C[NH2+]C[C@H]1CCCC[C@H]1O ZINC000250575217 487732737 /nfs/dbraw/zinc/73/27/37/487732737.db2.gz XCIGWJMMBSMOTH-IJLUTSLNSA-N 1 0 231.336 0.525 10 0 BCAERO CC(C)COC[C@H](O)C[NH2+]C[C@H]1CCC[C@H]1O ZINC000250574947 487733369 /nfs/dbraw/zinc/73/33/69/487733369.db2.gz RILSIHCEAJHZNW-JHJVBQTASA-N 1 0 245.363 0.771 10 0 BCAERO CCOC[C@H](O)C[NH2+][C@H]1CCCC[C@H]1O ZINC000250506478 487733985 /nfs/dbraw/zinc/73/39/85/487733985.db2.gz MQIRSZOVTFOCPU-OUAUKWLOSA-N 1 0 217.309 0.277 10 0 BCAERO [NH3+][C@@H]1CCC[C@H](C(=O)N[C@H]2CCC[C@@H](O)C2)C1 ZINC000250622601 487736490 /nfs/dbraw/zinc/73/64/90/487736490.db2.gz ADGCHWVWYSPGNK-WHOHXGKFSA-N 1 0 240.347 0.924 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)N[C@@H]1CCC(=O)N(C)C1 ZINC000136472520 487737215 /nfs/dbraw/zinc/73/72/15/487737215.db2.gz HYYXTHFTLFMARX-NXEZZACHSA-N 1 0 241.335 0.097 10 0 BCAERO O=C(NC[C@@H]1C[NH2+]CCO1)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000250820146 487739860 /nfs/dbraw/zinc/73/98/60/487739860.db2.gz FXZPOJLGKKLKDZ-VLEAKVRGSA-N 1 0 224.304 0.137 10 0 BCAERO C[C@]1(C(=O)NC[C@@H]2CCCC[C@H]2O)CCC[NH2+]1 ZINC000250781469 487739972 /nfs/dbraw/zinc/73/99/72/487739972.db2.gz CXSQYDHKNWZAHK-DMDPSCGWSA-N 1 0 240.347 0.796 10 0 BCAERO C[C@H](C(=O)N[C@H]1CCC[C@H]1C[NH3+])n1cncn1 ZINC000251028238 487745949 /nfs/dbraw/zinc/74/59/49/487745949.db2.gz IRTDFHLPKNMXHT-UTLUCORTSA-N 1 0 237.307 0.083 10 0 BCAERO C[C@H]1CN(C(=O)[C@@H]2CCC[C@@H]2[NH3+])C[C@H](C)O1 ZINC000082920048 487752509 /nfs/dbraw/zinc/75/25/09/487752509.db2.gz RJNFAEMNTIGMMZ-MMWGEVLESA-N 1 0 226.320 0.750 10 0 BCAERO [NH3+][C@@H]1CCC[C@@H]1C(=O)NC[C@H]1CCCC[C@H]1O ZINC000251386105 487754608 /nfs/dbraw/zinc/75/46/08/487754608.db2.gz QOMTWWCSHBRQKV-WRWGMCAJSA-N 1 0 240.347 0.781 10 0 BCAERO COC[C@H]([NH3+])C(=O)NC1(CC(C)C)CC1 ZINC000662925209 487757676 /nfs/dbraw/zinc/75/76/76/487757676.db2.gz FCLASOGNFYVDON-VIFPVBQESA-N 1 0 214.309 0.655 10 0 BCAERO CC(C)[NH2+]CC(=O)NC[C@H]1CCCC[C@@H]1O ZINC000082995164 487769163 /nfs/dbraw/zinc/76/91/63/487769163.db2.gz NIKHPVTULINAGN-MNOVXSKESA-N 1 0 228.336 0.652 10 0 BCAERO C[C@H](O)CC[NH2+]C[C@@H](O)C(F)(F)F ZINC000082996438 487769173 /nfs/dbraw/zinc/76/91/73/487769173.db2.gz FVRLEGUQCBVTSD-NTSWFWBYSA-N 1 0 201.188 0.270 10 0 BCAERO C[NH2+][C@H](C)C(=O)NC[C@H]1CCCC[C@@H]1O ZINC000082995224 487769482 /nfs/dbraw/zinc/76/94/82/487769482.db2.gz GCLGCYPAJLZHAN-BBBLOLIVSA-N 1 0 214.309 0.262 10 0 BCAERO CC(C)[C@H]([NH3+])C(=O)NC[C@@H]1CCCC[C@H]1O ZINC000082995383 487769557 /nfs/dbraw/zinc/76/95/57/487769557.db2.gz ZKNKRTSVGSPHKM-AXFHLTTASA-N 1 0 228.336 0.637 10 0 BCAERO OCCC[N@H+](CCO)C[C@@H]1CCC[C@@H](O)C1 ZINC000385319110 487780956 /nfs/dbraw/zinc/78/09/56/487780956.db2.gz AWLSDNVBXMYQIR-VXGBXAGGSA-N 1 0 231.336 0.214 10 0 BCAERO C[C@H](NC(=O)[C@H]1CCC[C@H]1C[NH3+])c1nc[nH]n1 ZINC000300409275 487782178 /nfs/dbraw/zinc/78/21/78/487782178.db2.gz TUOCCWZEUQPJEN-CIUDSAMLSA-N 1 0 237.307 0.357 10 0 BCAERO O=C(C[C@H]1CCC[NH2+]C1)N[C@@H]1CCCOC1 ZINC000071023743 487799796 /nfs/dbraw/zinc/79/97/96/487799796.db2.gz PEHLETKILSBKLV-GHMZBOCLSA-N 1 0 226.320 0.671 10 0 BCAERO CC[C@@H]1COCCN1C(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000251809074 487800979 /nfs/dbraw/zinc/80/09/79/487800979.db2.gz OLXSSOZEQXGUOH-TUAOUCFPSA-N 1 0 240.347 0.999 10 0 BCAERO CNC(=O)[C@H](C)CN(C)C(=O)C[C@H]([NH3+])C(C)C ZINC000234364822 487808312 /nfs/dbraw/zinc/80/83/12/487808312.db2.gz OPCXEDBWCYYATP-ZJUUUORDSA-N 1 0 243.351 0.200 10 0 BCAERO CN1CCO[C@H](C[N@H+](C)C[C@@H](O)C(C)(C)C)C1 ZINC000676112386 487815496 /nfs/dbraw/zinc/81/54/96/487815496.db2.gz CXQDKZPLRSJJIF-NWDGAFQWSA-N 1 0 244.379 0.656 10 0 BCAERO CN1CCO[C@@H](C[N@H+](C)C[C@@H](O)C(C)(C)C)C1 ZINC000676112388 487815319 /nfs/dbraw/zinc/81/53/19/487815319.db2.gz CXQDKZPLRSJJIF-VXGBXAGGSA-N 1 0 244.379 0.656 10 0 BCAERO CC(C)NC(=O)CNC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089450582 487817938 /nfs/dbraw/zinc/81/79/38/487817938.db2.gz GWMZBFSMUMXAAR-NXEZZACHSA-N 1 0 241.335 0.002 10 0 BCAERO CCCNC(=O)CNC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000089450655 487818001 /nfs/dbraw/zinc/81/80/01/487818001.db2.gz NMQUBKGHPAJWTB-UWVGGRQHSA-N 1 0 241.335 0.004 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)NCCn1cccn1 ZINC000089460441 487821754 /nfs/dbraw/zinc/82/17/54/487821754.db2.gz NNBVUIFYYXULBZ-QWRGUYRKSA-N 1 0 236.319 0.374 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)NCCn1cccn1 ZINC000089460438 487821572 /nfs/dbraw/zinc/82/15/72/487821572.db2.gz NNBVUIFYYXULBZ-WDEREUQCSA-N 1 0 236.319 0.374 10 0 BCAERO Cn1cc(CNC(=O)[C@@H]2CCC[C@H]2C[NH3+])cn1 ZINC000089460293 487822378 /nfs/dbraw/zinc/82/23/78/487822378.db2.gz XSZXDZUAMPTKFR-WDEREUQCSA-N 1 0 236.319 0.411 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)NCC1CCOCC1 ZINC000089462593 487822457 /nfs/dbraw/zinc/82/24/57/487822457.db2.gz MYAXSTYOCCFMTJ-NWDGAFQWSA-N 1 0 240.347 0.904 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)NCC1CCOCC1 ZINC000089462598 487822459 /nfs/dbraw/zinc/82/24/59/487822459.db2.gz MYAXSTYOCCFMTJ-RYUDHWBXSA-N 1 0 240.347 0.904 10 0 BCAERO Cn1cc(CNC(=O)[C@H]2CCC[C@@H]2C[NH3+])cn1 ZINC000089460290 487822570 /nfs/dbraw/zinc/82/25/70/487822570.db2.gz XSZXDZUAMPTKFR-MNOVXSKESA-N 1 0 236.319 0.411 10 0 BCAERO COCCOCCNC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089460998 487823940 /nfs/dbraw/zinc/82/39/40/487823940.db2.gz ZGYHSEHIVTVNNP-MNOVXSKESA-N 1 0 244.335 0.141 10 0 BCAERO C[NH2+][C@@H](C)CNC(=O)CC[C@@H](C)OC ZINC000234417382 487823968 /nfs/dbraw/zinc/82/39/68/487823968.db2.gz DXVWEWKORDLXNS-DTWKUNHWSA-N 1 0 202.298 0.526 10 0 BCAERO C[NH2+][C@@H](C)CNC(=O)CC[C@H](C)OC ZINC000234417511 487824012 /nfs/dbraw/zinc/82/40/12/487824012.db2.gz DXVWEWKORDLXNS-IUCAKERBSA-N 1 0 202.298 0.526 10 0 BCAERO C[C@@H]1C[N@@H+]([C@@H]2CCC[C@H]2O)C[C@H]1N(C)C ZINC000252493533 487825037 /nfs/dbraw/zinc/82/50/37/487825037.db2.gz RNIYSQUPAPOXBN-DDHJBXDOSA-N 1 0 212.337 0.782 10 0 BCAERO COC[C@@H]1CCN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000089482032 487825994 /nfs/dbraw/zinc/82/59/94/487825994.db2.gz CZAYVVDFDQLXKU-IJLUTSLNSA-N 1 0 240.347 0.856 10 0 BCAERO COCc1ccc(C[NH2+][C@@H]2CCNC2=O)cc1 ZINC000676234581 487826132 /nfs/dbraw/zinc/82/61/32/487826132.db2.gz DSJBVTYRFIQPMO-GFCCVEGCSA-N 1 0 234.299 0.811 10 0 BCAERO C[NH2+][C@@H](C)CNC(=O)c1nn(C)c2ccccc21 ZINC000234430285 487826431 /nfs/dbraw/zinc/82/64/31/487826431.db2.gz SAVOURPMDFAFDD-VIFPVBQESA-N 1 0 246.314 0.911 10 0 BCAERO C[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H]1CCCC[C@H]1O ZINC000252590031 487827234 /nfs/dbraw/zinc/82/72/34/487827234.db2.gz CJUPCCVTDSXBSC-WHOHXGKFSA-N 1 0 240.347 0.652 10 0 BCAERO C[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H]1CCC[C@H](O)C1 ZINC000252595180 487827712 /nfs/dbraw/zinc/82/77/12/487827712.db2.gz HESIQLWTSPEESG-NAKRPEOUSA-N 1 0 226.320 0.404 10 0 BCAERO CCc1nsc(N2CCO[C@@H]([C@H](C)[NH3+])C2)n1 ZINC000252689630 487828926 /nfs/dbraw/zinc/82/89/26/487828926.db2.gz RSVOZMWXNYOPRL-JGVFFNPUSA-N 1 0 242.348 0.653 10 0 BCAERO CN1CCC[C@@H]1C[N@@H+]1CCC[C@@H]1CCO ZINC000196724691 487832907 /nfs/dbraw/zinc/83/29/07/487832907.db2.gz IEOPWJKXIQLTTB-VXGBXAGGSA-N 1 0 212.337 0.927 10 0 BCAERO C[C@H]([NH3+])[C@H](C)C(=O)NCC[C@H]1CCCO1 ZINC000252853104 487836043 /nfs/dbraw/zinc/83/60/43/487836043.db2.gz IYNDXQCWJVHHGI-LPEHRKFASA-N 1 0 214.309 0.655 10 0 BCAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)Nc1ccccc1 ZINC000666596570 487838407 /nfs/dbraw/zinc/83/84/07/487838407.db2.gz ROIGSXWGMOQHTJ-ONGXEEELSA-N 1 0 235.287 0.388 10 0 BCAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+][C@H]1CO[C@H](C2CC2)C1 ZINC000668103327 487839183 /nfs/dbraw/zinc/83/91/83/487839183.db2.gz IKUMMNZSTODWLQ-IELRGYKMSA-N 1 0 238.331 0.811 10 0 BCAERO COC1(CC(=O)N2CCC[C@@H]2C[NH3+])CCC1 ZINC000234575143 487840997 /nfs/dbraw/zinc/84/09/97/487840997.db2.gz NRYVTSLZODHJMV-SNVBAGLBSA-N 1 0 226.320 0.895 10 0 BCAERO C[C@H](C(=O)N[C@H]1CCC[NH2+][C@H]1C)n1cncn1 ZINC000253195272 487858048 /nfs/dbraw/zinc/85/80/48/487858048.db2.gz PZWGEQLPTQIXBT-AEJSXWLSSA-N 1 0 237.307 0.096 10 0 BCAERO O=C(C[NH2+][C@H]1CO[C@@H](C2CC2)C1)NC1CC1 ZINC000668172873 487862538 /nfs/dbraw/zinc/86/25/38/487862538.db2.gz VNYHMDPYFLYWGL-GHMZBOCLSA-N 1 0 224.304 0.422 10 0 BCAERO CCCS(=O)(=O)CC[NH2+][C@@H]1CCO[C@@H]1C ZINC000233255146 642654118 /nfs/dbraw/zinc/65/41/18/642654118.db2.gz LSKKRLWAFNLRCN-NXEZZACHSA-N 1 0 235.349 0.578 10 0 BCAERO Cc1cnc([C@H](C)NC(=O)C[NH2+]C2CC2)o1 ZINC000226707458 487884087 /nfs/dbraw/zinc/88/40/87/487884087.db2.gz NZZLHKHYOISEAR-QMMMGPOBSA-N 1 0 223.276 0.912 10 0 BCAERO Cc1cc(CNC(=O)[C@H]2CCC[C@@H]2C[NH3+])on1 ZINC000089461042 487890152 /nfs/dbraw/zinc/89/01/52/487890152.db2.gz IDQIUBDGAPCWML-KOLCDFICSA-N 1 0 237.303 0.974 10 0 BCAERO CC[C@@H]1C[C@H]1NC(=O)C1([NH3+])CCOCC1 ZINC000229216408 487893669 /nfs/dbraw/zinc/89/36/69/487893669.db2.gz GCSJDHXFDMNGII-RKDXNWHRSA-N 1 0 212.293 0.409 10 0 BCAERO Cc1nc(CNC(=O)[C@H]2CCC[C@@H]2C[NH3+])no1 ZINC000227428758 487899157 /nfs/dbraw/zinc/89/91/57/487899157.db2.gz JAXCDADIDCLKJH-BDAKNGLRSA-N 1 0 238.291 0.369 10 0 BCAERO CC[C@](C)(O)C[N@@H+]1CC[C@H](N(C)C)C1 ZINC000229391536 487908124 /nfs/dbraw/zinc/90/81/24/487908124.db2.gz RNSWDYVLBRRDBZ-QWRGUYRKSA-N 1 0 200.326 0.783 10 0 BCAERO CN(Cc1ncc[nH]1)C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000080530645 487912397 /nfs/dbraw/zinc/91/23/97/487912397.db2.gz BFXSADNGBKNHGV-JTQLQIEISA-N 1 0 236.319 0.758 10 0 BCAERO CC(C)[C@@H]([NH3+])CC(=O)N[C@@]1(C)CCOC1 ZINC000229462385 487915962 /nfs/dbraw/zinc/91/59/62/487915962.db2.gz XPDYLNPMTKFVRB-ONGXEEELSA-N 1 0 214.309 0.655 10 0 BCAERO Cc1nccc(C(=O)N[C@@H]2CCC[C@@H]2C[NH3+])n1 ZINC000157884824 487927824 /nfs/dbraw/zinc/92/78/24/487927824.db2.gz ZXXDGOMTJUVRJZ-NXEZZACHSA-N 1 0 234.303 0.642 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@H]1CCC[C@H](O)C1 ZINC000235301120 487940625 /nfs/dbraw/zinc/94/06/25/487940625.db2.gz JUWMLUMJPYIWBP-VPOLOUISSA-N 1 0 226.320 0.262 10 0 BCAERO Cc1cc(C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)n(C)n1 ZINC000235357865 487944444 /nfs/dbraw/zinc/94/44/44/487944444.db2.gz GACZMQJMNXRDPS-VXNVDRBHSA-N 1 0 222.292 0.148 10 0 BCAERO C[C@@H]1CCN(C(=O)c2nc[nH]n2)[C@H](C[NH3+])C1 ZINC000235349440 487945165 /nfs/dbraw/zinc/94/51/65/487945165.db2.gz FYCGQCILEUYDHZ-SFYZADRCSA-N 1 0 223.280 0.004 10 0 BCAERO CCS(=O)(=O)C[C@H](C)[NH2+][C@@H]1C[C@H]1C ZINC000245992916 323007982 /nfs/dbraw/zinc/00/79/82/323007982.db2.gz DPYKDBMZFOAUAZ-HRDYMLBCSA-N 1 0 205.323 0.808 10 0 BCAERO CC[C@@H](C)NC(=O)C[NH2+][C@@H]1CCO[C@@H]1C ZINC000134544794 323024744 /nfs/dbraw/zinc/02/47/44/323024744.db2.gz MXPIBTYIRLBPRU-OPRDCNLKSA-N 1 0 214.309 0.668 10 0 BCAERO O=C(c1ccsc1)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000562980450 323077827 /nfs/dbraw/zinc/07/78/27/323077827.db2.gz CVGQWCPUEAFXEW-VHSXEESVSA-N 1 0 238.312 0.561 10 0 BCAERO CCN1C[C@H]([NH2+]Cc2cnn(C)c2C)CC1=O ZINC000391489086 323107316 /nfs/dbraw/zinc/10/73/16/323107316.db2.gz ALNLEVMYPFFYDD-LLVKDONJSA-N 1 0 236.319 0.439 10 0 BCAERO C[C@@H]1C[C@H]([NH2+]CC2CC(O)C2)CN1C1CC1 ZINC000229935138 323158121 /nfs/dbraw/zinc/15/81/21/323158121.db2.gz RZDIIZNMEDFFCB-JJOYANBFSA-N 1 0 224.348 0.972 10 0 BCAERO C[C@@H]1C[C@@H]([NH2+]CC2CC(O)C2)CN1C1CC1 ZINC000229935152 323158186 /nfs/dbraw/zinc/15/81/86/323158186.db2.gz RZDIIZNMEDFFCB-YLXHPXFOSA-N 1 0 224.348 0.972 10 0 BCAERO C[C@H](O)[C@@H]1CCC[N@H+](CC2(O)CCC2)C1 ZINC000535557933 323184432 /nfs/dbraw/zinc/18/44/32/323184432.db2.gz CKXGQNYZUIUUQY-WDEREUQCSA-N 1 0 213.321 0.994 10 0 BCAERO COC[C@H](C)C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000103435324 323248166 /nfs/dbraw/zinc/24/81/66/323248166.db2.gz ZMPKLIBMTGZDDY-UWVGGRQHSA-N 1 0 228.336 0.868 10 0 BCAERO COC[C@H](C)C(=O)NCC1CC[NH+](C)CC1 ZINC000103433959 323248720 /nfs/dbraw/zinc/24/87/20/323248720.db2.gz JKCIXOHXNRAQER-JTQLQIEISA-N 1 0 228.336 0.727 10 0 BCAERO COCC(=O)Nc1ccn([C@@H]2CC[NH2+]C2)n1 ZINC000309086263 323315583 /nfs/dbraw/zinc/31/55/83/323315583.db2.gz IIWVSTSMXHDRST-MRVPVSSYSA-N 1 0 224.264 0.002 10 0 BCAERO CCCCOC[C@@H](O)C[NH2+]CCC(C)(C)O ZINC000309335157 323343959 /nfs/dbraw/zinc/34/39/59/323343959.db2.gz VCJVBQVPJANCLW-NSHDSACASA-N 1 0 233.352 0.915 10 0 BCAERO COC(=O)c1cc(C[NH2+][C@@H]2C[C@H]2CO)c[nH]1 ZINC000309404745 323381440 /nfs/dbraw/zinc/38/14/40/323381440.db2.gz AQZDTZROZHCENK-DTWKUNHWSA-N 1 0 224.260 0.272 10 0 BCAERO CC(C)(C)[C@H](O)C[NH2+]CC(C)(C)OCCO ZINC000309419750 323396292 /nfs/dbraw/zinc/39/62/92/323396292.db2.gz KBUMLKOFKIKVLE-SNVBAGLBSA-N 1 0 233.352 0.771 10 0 BCAERO [NH3+]C[C@@H](O)Cn1ccc2ccccc2c1=O ZINC000123812244 323943770 /nfs/dbraw/zinc/94/37/70/323943770.db2.gz LIISBXOIHLNBQP-SNVBAGLBSA-N 1 0 218.256 0.321 10 0 BCAERO [NH3+]C[C@H](O)Cn1ccc2ccccc2c1=O ZINC000123812467 323944049 /nfs/dbraw/zinc/94/40/49/323944049.db2.gz LIISBXOIHLNBQP-JTQLQIEISA-N 1 0 218.256 0.321 10 0 BCAERO COC(=O)CC[N@@H+]1CCS[C@@H](C)C1 ZINC000122515067 324047237 /nfs/dbraw/zinc/04/72/37/324047237.db2.gz VGAUWYGXZBVIPZ-QMMMGPOBSA-N 1 0 203.307 0.987 10 0 BCAERO CC[C@](C)(O)C[NH+]1CCN(CCOC)CC1 ZINC000123257101 324103891 /nfs/dbraw/zinc/10/38/91/324103891.db2.gz FDLMXQNKWKTZLH-LBPRGKRZSA-N 1 0 230.352 0.411 10 0 BCAERO CCN(C)C(=O)CC[NH+]1[C@H](C)COC[C@H]1C ZINC000130507414 325058693 /nfs/dbraw/zinc/05/86/93/325058693.db2.gz VLUBYRQXJXQDBR-GHMZBOCLSA-N 1 0 228.336 0.964 10 0 BCAERO CC(=O)NCCC[N@H+]1[C@H](C)COC[C@@H]1C ZINC000133183892 325275765 /nfs/dbraw/zinc/27/57/65/325275765.db2.gz PCKOQZXZLYKFIS-AOOOYVTPSA-N 1 0 214.309 0.622 10 0 BCAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N[C@H]1CCCC[C@@H]1O ZINC000252651424 325689681 /nfs/dbraw/zinc/68/96/81/325689681.db2.gz MMNGVZZOOMJKRA-BJDJZHNGSA-N 1 0 240.347 0.794 10 0 BCAERO [NH3+]C1CCC(C(=O)N[C@@H]2CCCC[C@H]2O)CC1 ZINC000052009692 487970520 /nfs/dbraw/zinc/97/05/20/487970520.db2.gz QWLUWNROPYDMFX-KIDURHIOSA-N 1 0 240.347 0.924 10 0 BCAERO CCOC[C@H]1CCN(C(=O)[C@@H](C)[NH2+]C)C1 ZINC000566474076 326053546 /nfs/dbraw/zinc/05/35/46/326053546.db2.gz NYYUNAFNNSXBTO-ZJUUUORDSA-N 1 0 214.309 0.479 10 0 BCAERO CCn1cc(CN(C)C(=O)[C@H]2CC[NH2+]C2)cn1 ZINC000566971738 326097954 /nfs/dbraw/zinc/09/79/54/326097954.db2.gz TUCQTTOAVBQKRO-NSHDSACASA-N 1 0 236.319 0.471 10 0 BCAERO CC(C)(C)[C@H](O)C[NH2+]CCN1C(=O)CCC1=O ZINC000405452966 326113881 /nfs/dbraw/zinc/11/38/81/326113881.db2.gz QNXASKLUHYKJCL-SECBINFHSA-N 1 0 242.319 0.132 10 0 BCAERO COC[C@@H](NC(=O)[C@@]1(C)CCC[NH2+]1)C1CC1 ZINC000157935939 326300523 /nfs/dbraw/zinc/30/05/23/326300523.db2.gz RDXHOUAVXKAQIU-ZYHUDNBSSA-N 1 0 226.320 0.670 10 0 BCAERO CC[C@H]1CN(C(=O)[C@@H]2CC[NH2+]C2)[C@@H](C)CO1 ZINC000653203579 487973876 /nfs/dbraw/zinc/97/38/76/487973876.db2.gz SHXIASIEYQBLNO-AXFHLTTASA-N 1 0 226.320 0.622 10 0 BCAERO CN1CCC[C@@H]([NH2+]CC2(O)CCOCC2)C1 ZINC000134292442 487977978 /nfs/dbraw/zinc/97/79/78/487977978.db2.gz HEMXYPGONACNFD-LLVKDONJSA-N 1 0 228.336 0.212 10 0 BCAERO C[C@@H]1C[N@H+](C[C@@H]2CCC[C@H](O)C2)C[C@@H]1O ZINC000387900686 487983487 /nfs/dbraw/zinc/98/34/87/487983487.db2.gz UQXFKCXPAPADRH-WYUUTHIRSA-N 1 0 213.321 0.850 10 0 BCAERO C[C@@]1(C(=O)N[C@H]2CCCOC2)CCC[NH2+]1 ZINC000070619386 487985175 /nfs/dbraw/zinc/98/51/75/487985175.db2.gz FQIKRMKLTXZLIF-ONGXEEELSA-N 1 0 212.293 0.424 10 0 BCAERO CC1(NC(=O)[C@H]2CC[NH2+]C2)CCOCC1 ZINC000229901909 487987951 /nfs/dbraw/zinc/98/79/51/487987951.db2.gz PSBUHMSUCOEYHM-VIFPVBQESA-N 1 0 212.293 0.281 10 0 BCAERO Cc1nnsc1C(=O)N1C[C@H](C)[C@H]([NH3+])C1 ZINC000235636448 487993050 /nfs/dbraw/zinc/99/30/50/487993050.db2.gz APWPVGOVMFMYPH-CAHLUQPWSA-N 1 0 226.305 0.266 10 0 BCAERO COC1CC([NH2+]C[C@@H]2CC(=O)N(C)C2)C1 ZINC000668615971 488009618 /nfs/dbraw/zinc/00/96/18/488009618.db2.gz CGURTMWMKDDQRR-IDKOKCKLSA-N 1 0 212.293 0.232 10 0 BCAERO CN1C[C@H](C[NH2+]CC[C@@H]2CCOC2)CC1=O ZINC000668616236 488009643 /nfs/dbraw/zinc/00/96/43/488009643.db2.gz KCKUGQJJXXWOBL-MNOVXSKESA-N 1 0 226.320 0.481 10 0 BCAERO COC[C@@H](C)C[NH2+]C[C@H]1CC(=O)N(C)C1 ZINC000668616465 488010301 /nfs/dbraw/zinc/01/03/01/488010301.db2.gz NFEGABVLWIFXPR-VHSXEESVSA-N 1 0 214.309 0.337 10 0 BCAERO C[C@]1(C(=O)NCCCCO)CCCC[NH2+]1 ZINC000235739206 488011606 /nfs/dbraw/zinc/01/16/06/488011606.db2.gz FXMPEYAZHQWMAG-LLVKDONJSA-N 1 0 214.309 0.407 10 0 BCAERO Cc1cccc(NC[C@@H]2COCC[NH2+]2)n1 ZINC000235892429 488028453 /nfs/dbraw/zinc/02/84/53/488028453.db2.gz GWXJDABZTUVKBJ-SNVBAGLBSA-N 1 0 207.277 0.790 10 0 BCAERO CC(C)n1ccnc1C[NH2+][C@@H]1CCOC[C@@H]1O ZINC000623767586 488030815 /nfs/dbraw/zinc/03/08/15/488030815.db2.gz YGGFXTQPHQLABD-MNOVXSKESA-N 1 0 239.319 0.703 10 0 BCAERO Clc1cncnc1NC[C@H]1COCC[NH2+]1 ZINC000236038722 488037925 /nfs/dbraw/zinc/03/79/25/488037925.db2.gz LCNUSAQEDXIZCU-ZETCQYMHSA-N 1 0 228.683 0.530 10 0 BCAERO CC[C@@H]([NH3+])C(=O)NC[C@H]1CCC[C@@H]1O ZINC000084238612 488039556 /nfs/dbraw/zinc/03/95/56/488039556.db2.gz SBQWUZWWROOMJC-HLTSFMKQSA-N 1 0 200.282 0.001 10 0 BCAERO [NH3+]CCCCC(=O)NC[C@@H]1CCC[C@H]1O ZINC000084238697 488039652 /nfs/dbraw/zinc/03/96/52/488039652.db2.gz PJZYWFLIIKMZDA-VHSXEESVSA-N 1 0 214.309 0.393 10 0 BCAERO CC(C)([NH3+])CC(=O)NC[C@@H]1CCC[C@@H]1O ZINC000084238788 488039670 /nfs/dbraw/zinc/03/96/70/488039670.db2.gz BAJTVTYFANLLBG-IUCAKERBSA-N 1 0 214.309 0.391 10 0 BCAERO Cn1nnnc1N[C@@H](C[NH3+])C1CCCC1 ZINC000236087247 488040051 /nfs/dbraw/zinc/04/00/51/488040051.db2.gz ODPSMVMLZZCUNO-QMMMGPOBSA-N 1 0 210.285 0.140 10 0 BCAERO COC[C@H](C)NC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000084308782 488043280 /nfs/dbraw/zinc/04/32/80/488043280.db2.gz GBDQFAKELJHITM-IVZWLZJFSA-N 1 0 214.309 0.513 10 0 BCAERO [NH3+]C[C@H]1CCC[C@@H]1C(=O)NCc1cc[nH]n1 ZINC000084310267 488043617 /nfs/dbraw/zinc/04/36/17/488043617.db2.gz WTDAFWDIRJYNMP-SCZZXKLOSA-N 1 0 222.292 0.401 10 0 BCAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)NC1CCOCC1 ZINC000084309678 488043816 /nfs/dbraw/zinc/04/38/16/488043816.db2.gz IDHOKVWNFVSULP-MWLCHTKSSA-N 1 0 226.320 0.657 10 0 BCAERO COCCN(C)C(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000084309993 488043952 /nfs/dbraw/zinc/04/39/52/488043952.db2.gz YRFVHIDWVDYUTM-ZJUUUORDSA-N 1 0 214.309 0.466 10 0 BCAERO Cn1ccc(NC(=O)[C@@H]2CCC[C@H]2C[NH3+])n1 ZINC000084309733 488044029 /nfs/dbraw/zinc/04/40/29/488044029.db2.gz CQKJNHRPIUCFJV-DTWKUNHWSA-N 1 0 222.292 0.734 10 0 BCAERO [NH3+]C[C@H]1CCC[C@@H]1C(=O)NC1CCOCC1 ZINC000084309684 488044267 /nfs/dbraw/zinc/04/42/67/488044267.db2.gz IDHOKVWNFVSULP-KOLCDFICSA-N 1 0 226.320 0.657 10 0 BCAERO Cn1nccc1NC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000084310457 488045050 /nfs/dbraw/zinc/04/50/50/488045050.db2.gz FAIUQNJEDYYHDY-IUCAKERBSA-N 1 0 222.292 0.734 10 0 BCAERO O=C(C[C@@H]1CC[NH2+]C1)N[C@H]1CCC[C@@H](O)C1 ZINC000084382231 488048346 /nfs/dbraw/zinc/04/83/46/488048346.db2.gz KMXAELGVYNJVJA-GARJFASQSA-N 1 0 226.320 0.406 10 0 BCAERO O=C(C[C@@H]1CC[NH2+]C1)N[C@H]1CCCOC1 ZINC000084383505 488048944 /nfs/dbraw/zinc/04/89/44/488048944.db2.gz KXROHGNFEYVFKP-UWVGGRQHSA-N 1 0 212.293 0.281 10 0 BCAERO OC1(C[NH+]2CCOCC2)CCSCC1 ZINC000221675404 488053291 /nfs/dbraw/zinc/05/32/91/488053291.db2.gz AVIORGQGORTXFX-UHFFFAOYSA-N 1 0 217.334 0.577 10 0 BCAERO C[NH2+][C@@H](C)CNC(=O)c1snnc1C ZINC000388802872 488056489 /nfs/dbraw/zinc/05/64/89/488056489.db2.gz NTNZEXLVBPUJSC-YFKPBYRVSA-N 1 0 214.294 0.184 10 0 BCAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]C[C@H]1CCCN1C ZINC000393000355 488058691 /nfs/dbraw/zinc/05/86/91/488058691.db2.gz SJNRBQNVHAEARF-AXFHLTTASA-N 1 0 225.336 0.337 10 0 BCAERO CO[C@@]1(CO)CCC[N@H+](C[C@@H]2CCCN2C)C1 ZINC000401849042 488070547 /nfs/dbraw/zinc/07/05/47/488070547.db2.gz CAXRTFACPBOPPO-STQMWFEESA-N 1 0 242.363 0.554 10 0 BCAERO Cc1nccc(C(=O)N2CCC[C@@H]2C[NH3+])n1 ZINC000257701888 488084482 /nfs/dbraw/zinc/08/44/82/488084482.db2.gz OHVKPUVBDNNQBR-SECBINFHSA-N 1 0 220.276 0.348 10 0 BCAERO CCNC(=O)CN(C)C(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000136177029 488084785 /nfs/dbraw/zinc/08/47/85/488084785.db2.gz SJKAMAHZSMSLRQ-GFCCVEGCSA-N 1 0 241.335 0.113 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)NCCCn1ccnc1 ZINC000136309440 488094072 /nfs/dbraw/zinc/09/40/72/488094072.db2.gz BSEJAFULAOZMEQ-LLVKDONJSA-N 1 0 238.335 0.763 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)N[C@H](C)Cn1cccn1 ZINC000136317192 488095139 /nfs/dbraw/zinc/09/51/39/488095139.db2.gz CZKFEIQBHSJZFV-GHMZBOCLSA-N 1 0 238.335 0.761 10 0 BCAERO CC(C)[C@@H]([NH3+])CC(=O)N1CC[NH+](C(C)C)CC1 ZINC000136314833 488095423 /nfs/dbraw/zinc/09/54/23/488095423.db2.gz MLIPBTGLIFHXJA-LBPRGKRZSA-N 1 0 241.379 0.912 10 0 BCAERO CNC(=O)C(C)(C)CNC(=O)C[C@H]([NH3+])C(C)C ZINC000230392725 488096540 /nfs/dbraw/zinc/09/65/40/488096540.db2.gz KVMNDWDCGBLAQD-VIFPVBQESA-N 1 0 243.351 0.248 10 0 BCAERO C[C@H]([NH3+])CC(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000226928469 488098644 /nfs/dbraw/zinc/09/86/44/488098644.db2.gz OAQIDLXIPLIIEF-AXFHLTTASA-N 1 0 226.320 0.894 10 0 BCAERO CC(=O)N1CCN(C(=O)C[C@@H]([NH3+])C(C)C)CC1 ZINC000136364695 488099452 /nfs/dbraw/zinc/09/94/52/488099452.db2.gz SATWJXHKEHXLJD-LLVKDONJSA-N 1 0 241.335 0.051 10 0 BCAERO CC[C@@H]1C[C@@H]([NH2+]C[C@H]2CN(C)CCO2)CO1 ZINC000657348596 488115910 /nfs/dbraw/zinc/11/59/10/488115910.db2.gz AMONRLHMBKCBOD-UTUOFQBUSA-N 1 0 228.336 0.474 10 0 BCAERO [NH3+][C@H]1CC[C@H](C(=O)NCc2c[nH]cn2)C1 ZINC000085014120 488122206 /nfs/dbraw/zinc/12/22/06/488122206.db2.gz UHEHQGIURSJMTB-YUMQZZPRSA-N 1 0 208.265 0.153 10 0 BCAERO COCC1(C[NH2+][C@@H]2CCNC2=O)CCC1 ZINC000389976847 488127104 /nfs/dbraw/zinc/12/71/04/488127104.db2.gz GCOKTOGZGFFMMH-SECBINFHSA-N 1 0 212.293 0.281 10 0 BCAERO Cc1nocc1CN1CC[C@H]2OCC[NH2+][C@H]2C1 ZINC000662287362 487538434 /nfs/dbraw/zinc/53/84/34/487538434.db2.gz ZIPJJNXBBRTXJP-NWDGAFQWSA-N 1 0 237.303 0.546 10 0 BCAERO C[C@@H]([NH2+][C@@H]1CCC[C@H]1O)c1cnn(C)c1 ZINC000382376217 487540438 /nfs/dbraw/zinc/54/04/38/487540438.db2.gz HYLKZAKQCLSUFR-FBIMIBRVSA-N 1 0 209.293 0.984 10 0 BCAERO [NH3+][C@H]1CC[C@H](C(=O)N2CCO[C@@H]3CCC[C@@H]32)C1 ZINC000227796083 487542249 /nfs/dbraw/zinc/54/22/49/487542249.db2.gz JGXIYUPKPSRKSL-FIQHERPVSA-N 1 0 238.331 0.894 10 0 BCAERO C[NH2+][C@H](C)C(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000227155658 487556217 /nfs/dbraw/zinc/55/62/17/487556217.db2.gz HDRZOBKVBSRWOT-MXWKQRLJSA-N 1 0 226.320 0.764 10 0 BCAERO [NH3+]C1CCN(c2ccc3nccnc3n2)CC1 ZINC000094725147 487556599 /nfs/dbraw/zinc/55/65/99/487556599.db2.gz BATZDGFFWRRFGC-UHFFFAOYSA-N 1 0 229.287 0.952 10 0 BCAERO C[C@]1(C(=O)NC[C@@H]2CCCC[C@@H]2O)CCC[NH2+]1 ZINC000085988933 487471041 /nfs/dbraw/zinc/47/10/41/487471041.db2.gz CXSQYDHKNWZAHK-GMXVVIOVSA-N 1 0 240.347 0.796 10 0 BCAERO Cc1cnc([C@H](C)NC(=O)[C@@H](C)C[NH3+])o1 ZINC000231742734 487472689 /nfs/dbraw/zinc/47/26/89/487472689.db2.gz QPNZHXUFDQUPQN-XPUUQOCRSA-N 1 0 211.265 0.755 10 0 BCAERO CCN(C)C(=O)[C@H](C)NC(=O)C[C@H]([NH3+])C(C)C ZINC000231854827 487481857 /nfs/dbraw/zinc/48/18/57/487481857.db2.gz KTCCHHWKNKLJFO-UWVGGRQHSA-N 1 0 243.351 0.343 10 0 BCAERO Cc1cccc(Cn2cc(C[NH3+])nn2)n1 ZINC000086136576 487483481 /nfs/dbraw/zinc/48/34/81/487483481.db2.gz CWFAAKRJTUJUHG-UHFFFAOYSA-N 1 0 203.249 0.489 10 0 BCAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)N[C@H](CO)C(C)C ZINC000086125801 487484765 /nfs/dbraw/zinc/48/47/65/487484765.db2.gz SDXIRLBDJPOHFV-OPRDCNLKSA-N 1 0 216.325 0.493 10 0 BCAERO CC(C)[C@@H](CO)NC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000086124940 487484985 /nfs/dbraw/zinc/48/49/85/487484985.db2.gz YJXLUYGFNCDPJM-GMTAPVOTSA-N 1 0 228.336 0.495 10 0 BCAERO CC(C)[N@H+](C)C[C@H](O)CN1C[C@H](O)CC[C@@H]1C ZINC000399504948 487488782 /nfs/dbraw/zinc/48/87/82/487488782.db2.gz XPVIIOLKMDIJPQ-XQQFMLRXSA-N 1 0 244.379 0.533 10 0 BCAERO CC(C)[C@@H]([NH3+])CC(=O)NC(C)(C)CC(N)=O ZINC000227066165 487493908 /nfs/dbraw/zinc/49/39/08/487493908.db2.gz VUSSHFKVJJBIEX-QMMMGPOBSA-N 1 0 229.324 0.130 10 0 BCAERO CCOc1cc(N2C[C@@H](C)[C@H]([NH3+])C2)nc(C)n1 ZINC000300047122 487498866 /nfs/dbraw/zinc/49/88/66/487498866.db2.gz CTFVXUFLLZNABL-PSASIEDQSA-N 1 0 236.319 0.967 10 0 BCAERO COC[C@H](C)C(=O)N1CC[C@H]([NH3+])C[C@@H]1C ZINC000381338694 487505076 /nfs/dbraw/zinc/50/50/76/487505076.db2.gz WSQQVGDMWQTXMC-GUBZILKMSA-N 1 0 214.309 0.607 10 0 BCAERO COC[C@H](C)C(=O)N1CC[C@@H]([NH3+])C[C@@H]1C ZINC000381338712 487505179 /nfs/dbraw/zinc/50/51/79/487505179.db2.gz WSQQVGDMWQTXMC-LPEHRKFASA-N 1 0 214.309 0.607 10 0 BCAERO COC[C@H](C)C(=O)N1CC[C@H]([NH3+])C[C@H]1C ZINC000381338691 487505292 /nfs/dbraw/zinc/50/52/92/487505292.db2.gz WSQQVGDMWQTXMC-AEJSXWLSSA-N 1 0 214.309 0.607 10 0 BCAERO C[C@@H](NC(=O)COCC[NH3+])C1CCCC1 ZINC000086435101 487506052 /nfs/dbraw/zinc/50/60/52/487506052.db2.gz LFMILEHVWRTPMQ-SECBINFHSA-N 1 0 214.309 0.657 10 0 BCAERO CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1cncnc1 ZINC000232089228 487511149 /nfs/dbraw/zinc/51/11/49/487511149.db2.gz JKAHOVOLFXBNLD-IONNQARKSA-N 1 0 208.265 0.789 10 0 BCAERO C[C@@H](N[C@@H]1CC[NH2+]C1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000094085870 487512751 /nfs/dbraw/zinc/51/27/51/487512751.db2.gz KVYHZGXDHGFTEJ-PSASIEDQSA-N 1 0 246.314 0.869 10 0 BCAERO [NH3+]Cc1cn(C[C@H](O)CC2CCCC2)nn1 ZINC000232149393 487517643 /nfs/dbraw/zinc/51/76/43/487517643.db2.gz JHNJMMHBYXDSQZ-LLVKDONJSA-N 1 0 224.308 0.678 10 0 BCAERO COc1ccnc(Cn2cc(C[NH3+])nn2)c1OC ZINC000232198827 487521769 /nfs/dbraw/zinc/52/17/69/487521769.db2.gz BIIQVLPRJCCXMA-UHFFFAOYSA-N 1 0 249.274 0.197 10 0 BCAERO COC[C@H](CN1C[C@@H]2CCC[N@@H+]2C[C@H]1C)OC ZINC000300565135 487522417 /nfs/dbraw/zinc/52/24/17/487522417.db2.gz JBTXVAVHRGBJQQ-AGIUHOORSA-N 1 0 242.363 0.816 10 0 BCAERO [NH3+]CCOCC(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000093231540 488145877 /nfs/dbraw/zinc/14/58/77/488145877.db2.gz SWIKDZHPHDQARB-QWRGUYRKSA-N 1 0 242.319 0.132 10 0 BCAERO CCNC(=O)C[NH2+][C@H]1CO[C@H](C2CC2)C1 ZINC000667927137 488161327 /nfs/dbraw/zinc/16/13/27/488161327.db2.gz MKOUUWCBPGHNHS-ZJUUUORDSA-N 1 0 212.293 0.280 10 0 BCAERO C[C@]1(CNC(=O)[C@@]2(C)CCC[NH2+]2)CCCO1 ZINC000087253775 487626314 /nfs/dbraw/zinc/62/63/14/487626314.db2.gz YCKADCPJWPZSFN-VXGBXAGGSA-N 1 0 226.320 0.814 10 0 BCAERO CC(C)(C)[C@@H](O)CNC(=O)CC1CC[NH2+]CC1 ZINC000324608627 487634476 /nfs/dbraw/zinc/63/44/76/487634476.db2.gz LFAVNKMJYUPKQD-NSHDSACASA-N 1 0 242.363 0.899 10 0 BCAERO C[N@@H+]1CCC[C@@H]1CN1CCSC[C@H]1CO ZINC000379805353 488150345 /nfs/dbraw/zinc/15/03/45/488150345.db2.gz UTNYHQAHBYUSAF-GHMZBOCLSA-N 1 0 230.377 0.490 10 0 BCAERO C[N@@H+]1CCC[C@@H]1CN1CCSC[C@@H]1CO ZINC000379805355 488150395 /nfs/dbraw/zinc/15/03/95/488150395.db2.gz UTNYHQAHBYUSAF-MNOVXSKESA-N 1 0 230.377 0.490 10 0 BCAERO [NH3+][C@@H]1CCC[C@@H]1C(=O)N[C@@H]1CCC[C@@H](O)C1 ZINC000223382885 488161031 /nfs/dbraw/zinc/16/10/31/488161031.db2.gz CMQWBDHFFKHEQA-CHWFTXMASA-N 1 0 226.320 0.534 10 0 BCAERO [NH3+][C@@H]1CCC[C@@H]1C(=O)N1CCn2ccnc2C1 ZINC000085374781 488164606 /nfs/dbraw/zinc/16/46/06/488164606.db2.gz JYKVDAZRXOWCEY-VHSXEESVSA-N 1 0 234.303 0.353 10 0 BCAERO CCn1cc(CNC(=O)[C@H]2CC[C@@H]([NH3+])C2)nn1 ZINC000404494874 488166139 /nfs/dbraw/zinc/16/61/39/488166139.db2.gz OVUOFXQKDYFQFM-DTWKUNHWSA-N 1 0 237.307 0.042 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)N2CC[C@@H]([NH3+])[C@H]2C)O1 ZINC000380063576 488170524 /nfs/dbraw/zinc/17/05/24/488170524.db2.gz HKABOFPUTZCHFQ-ZYUZMQFOSA-N 1 0 212.293 0.502 10 0 BCAERO C[NH2+][C@H](C)C(=O)N1CCCc2n[nH]cc2C1 ZINC000404726209 488176228 /nfs/dbraw/zinc/17/62/28/488176228.db2.gz NYZZJAWZKYCLHD-MRVPVSSYSA-N 1 0 222.292 0.292 10 0 BCAERO CC(C)[C@@H](NC(=O)C[C@@H]1CCC[NH2+]C1)C(N)=O ZINC000231045218 488180211 /nfs/dbraw/zinc/18/02/11/488180211.db2.gz YPXJKYMRWHAVRW-GXSJLCMTSA-N 1 0 241.335 0.002 10 0 BCAERO CC(C)(C)[C@@H](O)CNC(=O)CC1([NH3+])CC1 ZINC000398026890 488186797 /nfs/dbraw/zinc/18/67/97/488186797.db2.gz HSFVPMPTCJLBFT-QMMMGPOBSA-N 1 0 214.309 0.391 10 0 BCAERO NC(=O)CC[NH2+][C@H]1CCCC[C@@H]1CO ZINC000231311410 488196357 /nfs/dbraw/zinc/19/63/57/488196357.db2.gz JUASKPPSBAAGCC-BDAKNGLRSA-N 1 0 200.282 0.003 10 0 BCAERO NC(=O)CC[NH2+][C@@H]1CCCC[C@@H]1CO ZINC000231311406 488196439 /nfs/dbraw/zinc/19/64/39/488196439.db2.gz JUASKPPSBAAGCC-RKDXNWHRSA-N 1 0 200.282 0.003 10 0 BCAERO COC1(CO)CC[NH+](CC2(O)CCC2)CC1 ZINC000683678358 488206966 /nfs/dbraw/zinc/20/69/66/488206966.db2.gz JADPQFKMFUMYHL-UHFFFAOYSA-N 1 0 229.320 0.375 10 0 BCAERO [NH3+]C1(CC(=O)NC[C@H]2CCC[C@@H]2O)CC1 ZINC000398116435 488211167 /nfs/dbraw/zinc/21/11/67/488211167.db2.gz PJDDHQLSVBSTEE-BDAKNGLRSA-N 1 0 212.293 0.145 10 0 BCAERO C[C@@H]1CN(C(=O)CC2([NH3+])CC2)C[C@@H](C)O1 ZINC000398145519 488212257 /nfs/dbraw/zinc/21/22/57/488212257.db2.gz BOBFKNVHFVQDIP-RKDXNWHRSA-N 1 0 212.293 0.504 10 0 BCAERO CCC[C@H]([NH3+])C(=O)NCc1ncc(CC)o1 ZINC000231645100 488218342 /nfs/dbraw/zinc/21/83/42/488218342.db2.gz IQPTZNFTRMOIFE-VIFPVBQESA-N 1 0 225.292 0.981 10 0 BCAERO CC(C)OC[C@H](O)C[NH2+]C[C@@H]1CCCC[C@@H]1O ZINC000085987911 488222304 /nfs/dbraw/zinc/22/23/04/488222304.db2.gz ZTOMJBCCDSUKOC-XQQFMLRXSA-N 1 0 245.363 0.913 10 0 BCAERO CNC(=O)CCC[N@@H+]1C[C@H](O)CC[C@@H]1C ZINC000399156270 488227759 /nfs/dbraw/zinc/22/77/59/488227759.db2.gz IKTMGCCZSMAMGH-VHSXEESVSA-N 1 0 214.309 0.358 10 0 BCAERO Cc1nccc(CNC(=O)C[C@@H]2CCC[NH2+]C2)n1 ZINC000054308304 488244808 /nfs/dbraw/zinc/24/48/08/488244808.db2.gz ZQGRGHIZOJSMCU-NSHDSACASA-N 1 0 248.330 0.791 10 0 BCAERO C[C@H](CO)C[N@@H+]1CCN2CCCC[C@@H]2C1 ZINC000121438998 490090042 /nfs/dbraw/zinc/09/00/42/490090042.db2.gz TVEFVPPJTXFJQI-NWDGAFQWSA-N 1 0 212.337 0.785 10 0 BCAERO COCC1(CC(=O)N2CCC[C@H]([NH3+])C2)CC1 ZINC000401426667 490132036 /nfs/dbraw/zinc/13/20/36/490132036.db2.gz GSQAPPMERUMYFO-JTQLQIEISA-N 1 0 226.320 0.753 10 0 BCAERO C[C@@H]1C[C@H](NC(=O)[C@H]2CCC[NH2+][C@@H]2C)CO1 ZINC000402071191 490146471 /nfs/dbraw/zinc/14/64/71/490146471.db2.gz ZOVUVPLLTSHXKA-ZNSHCXBVSA-N 1 0 226.320 0.668 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)NCCCn1cccn1 ZINC000126994090 490188195 /nfs/dbraw/zinc/18/81/95/490188195.db2.gz MMVBACHDHCNGSN-LLVKDONJSA-N 1 0 238.335 0.763 10 0 BCAERO COCC1(CC(=O)N2CC[C@@H]([NH3+])[C@@H]2C)CC1 ZINC000401241102 490188623 /nfs/dbraw/zinc/18/86/23/490188623.db2.gz IKOJFZHLENPVQO-VHSXEESVSA-N 1 0 226.320 0.751 10 0 BCAERO CCN1CCO[C@H](C[NH2+]Cc2cc[nH]c2)C1 ZINC000129982188 490194482 /nfs/dbraw/zinc/19/44/82/490194482.db2.gz XZPHPHDQNNOJLE-GFCCVEGCSA-N 1 0 223.320 0.825 10 0 BCAERO CC(=O)N1CC[NH+](C[C@H]2CCC[C@H](O)C2)CC1 ZINC000383511244 490198763 /nfs/dbraw/zinc/19/87/63/490198763.db2.gz LIPOWNOWAICOLI-STQMWFEESA-N 1 0 240.347 0.702 10 0 BCAERO c1nnc2c(NCC[NH2+]C3CC3)nccn12 ZINC000070616653 490228727 /nfs/dbraw/zinc/22/87/27/490228727.db2.gz GXCVVLJAHKLYCW-UHFFFAOYSA-N 1 0 218.264 0.288 10 0 BCAERO Cc1nn(C)cc1C[NH2+][C@H]1CCO[C@@H]1C ZINC000126287652 490487363 /nfs/dbraw/zinc/48/73/63/490487363.db2.gz NCDDXRSLFJMMNI-KOLCDFICSA-N 1 0 209.293 0.996 10 0 BCAERO C[C@@H]1CN(C(=O)CCCCO)C[C@@H]1[NH+](C)C ZINC000125309379 490498053 /nfs/dbraw/zinc/49/80/53/490498053.db2.gz PUTBXYJNBICVFY-MNOVXSKESA-N 1 0 228.336 0.558 10 0 BCAERO CO[C@H]1C[C@H](CO)[N@H+](Cc2ccncc2)C1 ZINC000309305000 490690995 /nfs/dbraw/zinc/69/09/95/490690995.db2.gz VIWJVUNLJXVYOR-NEPJUHHUSA-N 1 0 222.288 0.663 10 0 BCAERO CC[C@@H](COC)[NH2+]C[C@@H]1CN(CC)CCO1 ZINC000086004756 491056212 /nfs/dbraw/zinc/05/62/12/491056212.db2.gz VFAMDFWIRBBZQE-NWDGAFQWSA-N 1 0 230.352 0.722 10 0 BCAERO CCN1C(=O)C[C@H](C[NH3+])[C@H]1c1cccnc1 ZINC000328579702 491068877 /nfs/dbraw/zinc/06/88/77/491068877.db2.gz XAKZNHAVAZJJJB-ZYHUDNBSSA-N 1 0 219.288 0.950 10 0 BCAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]C[C@@H]1CCCCO1 ZINC000336737140 491111369 /nfs/dbraw/zinc/11/13/69/491111369.db2.gz JDHOBGSSLDLXKI-DCAQKATOSA-N 1 0 226.320 0.812 10 0 BCAERO C[C@H](CC(N)=O)[NH2+][C@H]1CCC[C@H](O)C1 ZINC000308636481 491137508 /nfs/dbraw/zinc/13/75/08/491137508.db2.gz CLSMKNOFENMGNK-VGMNWLOBSA-N 1 0 200.282 0.143 10 0 BCAERO CCc1nn(C)cc1C[NH2+][C@@H]1CCCNC1=O ZINC000124017722 491121399 /nfs/dbraw/zinc/12/13/99/491121399.db2.gz OEXLGVXRDPGWJO-LLVKDONJSA-N 1 0 236.319 0.351 10 0 BCAERO COC[C@H](C)NC(=O)c1csc(CC[NH3+])n1 ZINC000085547940 491123476 /nfs/dbraw/zinc/12/34/76/491123476.db2.gz DFSSCNFDZGZDCE-ZETCQYMHSA-N 1 0 243.332 0.409 10 0 BCAERO COC(=O)c1c(C)nn2c1NCC[C@@H]2C[NH3+] ZINC000234606626 582461609 /nfs/dbraw/zinc/46/16/09/582461609.db2.gz KMHBUZQKRSVOCJ-SSDOTTSWSA-N 1 0 224.264 0.294 10 0 BCAERO CS(=O)(=O)CCN1CCC[C@]12CCC[NH2+]C2 ZINC000757128071 582503157 /nfs/dbraw/zinc/50/31/57/582503157.db2.gz IPLOOXVLFFULDG-NSHDSACASA-N 1 0 246.376 0.249 10 0 BCAERO CCOC[C@@H](O)c1nc(C[NH2+]C)cs1 ZINC000757132761 582508053 /nfs/dbraw/zinc/50/80/53/582508053.db2.gz UIOYCGWAUWQHPG-MRVPVSSYSA-N 1 0 216.306 0.932 10 0 BCAERO C1C[C@]2(CO1)CC[NH2+][C@]1(CCCOC1)O2 ZINC000757138112 582517011 /nfs/dbraw/zinc/51/70/11/582517011.db2.gz AGLSOTHYTTXVID-WDEREUQCSA-N 1 0 213.277 0.662 10 0 BCAERO C1OCC12C[NH2+][C@@]1(CCSC1)OC2 ZINC000757138628 582518050 /nfs/dbraw/zinc/51/80/50/582518050.db2.gz CQXRXWKQGSATOV-VIFPVBQESA-N 1 0 201.291 0.456 10 0 BCAERO C1C[C@]2(CO1)CCNC1(CC[NH2+]CC1)O2 ZINC000757138940 582518528 /nfs/dbraw/zinc/51/85/28/582518528.db2.gz FHOWULPRMGLJHJ-JTQLQIEISA-N 1 0 212.293 0.235 10 0 BCAERO CC1(C)CC[C@@]2(C1)[NH2+]C[C@@]1(COCCN1)CO2 ZINC000757139359 582519953 /nfs/dbraw/zinc/51/99/53/582519953.db2.gz HAQCPMZQCODWQA-CHWSQXEVSA-N 1 0 240.347 0.871 10 0 BCAERO CC(C)[C@H]1C[NH2+][C@]2(CCS(=O)(=O)C2)OC1 ZINC000757139927 582520216 /nfs/dbraw/zinc/52/02/16/582520216.db2.gz ADFXIMGVVDVBDM-VHSXEESVSA-N 1 0 233.333 0.393 10 0 BCAERO Cc1cc(CN2CC[C@H]2C[NH3+])c(C)nn1 ZINC000757141041 582521587 /nfs/dbraw/zinc/52/15/87/582521587.db2.gz CQNSGEAYXARWPY-NSHDSACASA-N 1 0 206.293 0.626 10 0 BCAERO CCOCCOCCN1CC[C@@H]1C[NH3+] ZINC000757145468 582528240 /nfs/dbraw/zinc/52/82/40/582528240.db2.gz LIEQOGOGQJRSIW-SNVBAGLBSA-N 1 0 202.298 0.073 10 0 BCAERO CC1(C)COC[C@H](CN2CC[C@H]2C[NH3+])O1 ZINC000757148216 582531919 /nfs/dbraw/zinc/53/19/19/582531919.db2.gz TWDMOFWTTZWRKB-UWVGGRQHSA-N 1 0 214.309 0.213 10 0 BCAERO CC(C)(CN1CC[C@H]1C[NH3+])CS(C)(=O)=O ZINC000757148598 582533277 /nfs/dbraw/zinc/53/32/77/582533277.db2.gz TUTQTVQUEHJKJO-VIFPVBQESA-N 1 0 234.365 0.090 10 0 BCAERO C[C@H](NC(=O)OC(C)(C)C)[C@](C)([NH3+])CC(N)=O ZINC000757153007 582537485 /nfs/dbraw/zinc/53/74/85/582537485.db2.gz FIKOJQSTJBYIRV-WRWORJQWSA-N 1 0 245.323 0.492 10 0 BCAERO CCN(C)S(=O)(=O)C[C@@H]([NH3+])C(C)C ZINC000757153770 582539035 /nfs/dbraw/zinc/53/90/35/582539035.db2.gz RQNOEMCBGUVEOO-MRVPVSSYSA-N 1 0 208.327 0.251 10 0 BCAERO CC(C)[C@@H](C[N@@H+]1CC[C@@H]1C(N)=O)C(N)=S ZINC000757157091 582541196 /nfs/dbraw/zinc/54/11/96/582541196.db2.gz MPUQYGOKZCDWHV-HTQZYQBOSA-N 1 0 229.349 0.104 10 0 BCAERO CC(C)(CC[N@@H+]1CC[C@@H]1C(N)=O)C(N)=S ZINC000757159461 582540580 /nfs/dbraw/zinc/54/05/80/582540580.db2.gz PXVVMXWSADFMNH-SSDOTTSWSA-N 1 0 229.349 0.248 10 0 BCAERO Cc1nn2c(ncc3c2CC[NH2+]C3)c1C ZINC000236006334 582635484 /nfs/dbraw/zinc/63/54/84/582635484.db2.gz IBVKJSBNYCLDMH-UHFFFAOYSA-N 1 0 202.261 0.992 10 0 BCAERO CCO[C@@H]1C[C@H]1C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000178789107 535528742 /nfs/dbraw/zinc/52/87/42/535528742.db2.gz WSXABGRBUTYCOR-IVZWLZJFSA-N 1 0 212.293 0.280 10 0 BCAERO CC[C@H](C)[C@H]([NH3+])C(=O)N1C[C@H](O)[C@H](CC)C1 ZINC000262575593 535951121 /nfs/dbraw/zinc/95/11/21/535951121.db2.gz OGPCTANGOBONHJ-VLEAKVRGSA-N 1 0 228.336 0.589 10 0 BCAERO CC(C)S(=O)(=O)NCCCCC[NH3+] ZINC000070626816 519787159 /nfs/dbraw/zinc/78/71/59/519787159.db2.gz XIAKGRJZVIOELZ-UHFFFAOYSA-N 1 0 208.327 0.443 10 0 BCAERO CCCCCC(=O)NCCOCC[NH3+] ZINC000082589680 519929559 /nfs/dbraw/zinc/92/95/59/519929559.db2.gz BNFOICMUYVVFPP-UHFFFAOYSA-N 1 0 202.298 0.658 10 0 BCAERO CC[NH+](CC)CCNCc1nccn1C ZINC000022861879 520686937 /nfs/dbraw/zinc/68/69/37/520686937.db2.gz GWFVHVLTECYQTL-UHFFFAOYSA-N 1 0 210.325 0.852 10 0 BCAERO C[NH2+]C[C@H](N)c1ccc(OC)cc1OC ZINC000259299468 582821119 /nfs/dbraw/zinc/82/11/19/582821119.db2.gz KAQKFZBDVBVZQC-JTQLQIEISA-N 1 0 210.277 0.923 10 0 BCAERO CCn1ncc(N2CC[C@@H]([NH3+])C2)c(Cl)c1=O ZINC000164049118 523691456 /nfs/dbraw/zinc/69/14/56/523691456.db2.gz CTGJLHTUWBJWCG-SSDOTTSWSA-N 1 0 242.710 0.454 10 0 BCAERO CN1C(=O)N(C)[C@](C)([C@H]2CCC[NH2+]C2)C1=O ZINC000095533161 523715324 /nfs/dbraw/zinc/71/53/24/523715324.db2.gz LDPVQZRWDRZLBR-GZMMTYOYSA-N 1 0 225.292 0.269 10 0 BCAERO C[NH2+][C@H](C)CNC(=O)CCOCC1CC1 ZINC000261545199 536391285 /nfs/dbraw/zinc/39/12/85/536391285.db2.gz JPEQTJNWNLQHIE-SECBINFHSA-N 1 0 214.309 0.527 10 0 BCAERO C[NH2+][C@](C)(CCCn1cccn1)C(N)=O ZINC000045434658 582879176 /nfs/dbraw/zinc/87/91/76/582879176.db2.gz BVTNIVNHZHVZRT-SNVBAGLBSA-N 1 0 210.281 0.127 10 0 BCAERO Cc1cnn(CCC[C@@](C)([NH3+])C(N)=O)c1 ZINC000045436098 582879589 /nfs/dbraw/zinc/87/95/89/582879589.db2.gz FCBGAACNEZHYDG-SNVBAGLBSA-N 1 0 210.281 0.174 10 0 BCAERO COC(=O)[C@](C)([NH3+])CCn1cc(C)cn1 ZINC000045436447 582879597 /nfs/dbraw/zinc/87/95/97/582879597.db2.gz WURCCDKHYVESRU-SNVBAGLBSA-N 1 0 211.265 0.472 10 0 BCAERO O=[N+]([O-])OCc1cn(O)c2ccccc2[n+]1=O ZINC000504703208 534878400 /nfs/dbraw/zinc/87/84/00/534878400.db2.gz GNUQWQSXRGIJBZ-UHFFFAOYSA-N 1 0 238.179 0.501 10 0 BCAERO CC(C)(C)[C@@H](O)C[NH2+]CCCN1CCOC1=O ZINC000496590896 526645077 /nfs/dbraw/zinc/64/50/77/526645077.db2.gz YESGORAXLVJYKH-JTQLQIEISA-N 1 0 244.335 0.825 10 0 BCAERO C[NH2+]Cc1cc(F)ccc1N1CCNC(=O)C1 ZINC000037236385 536468733 /nfs/dbraw/zinc/46/87/33/536468733.db2.gz HKXXDGNBDBFTPY-UHFFFAOYSA-N 1 0 237.278 0.481 10 0 BCAERO CNC(=O)C[NH2+]C1CCN(c2ccccn2)CC1 ZINC000037253942 536490873 /nfs/dbraw/zinc/49/08/73/536490873.db2.gz DXQFKWIPVOOMNM-UHFFFAOYSA-N 1 0 248.330 0.386 10 0 BCAERO CNC(=O)C[NH2+]C1CCC(OC)CC1 ZINC000164238693 536490890 /nfs/dbraw/zinc/49/08/90/536490890.db2.gz RSPMVEHTQNTYHK-UHFFFAOYSA-N 1 0 200.282 0.280 10 0 BCAERO CC(C)OC[C@@H](O)C[N@@H+]1C[C@H](C)C[C@@H](O)C1 ZINC000401942694 528012299 /nfs/dbraw/zinc/01/22/99/528012299.db2.gz HWSOXYZLXAITAV-UTUOFQBUSA-N 1 0 231.336 0.475 10 0 BCAERO CCCCNC(=O)C[N@@H+]1C[C@H](C)C[C@H](O)C1 ZINC000401768284 528506757 /nfs/dbraw/zinc/50/67/57/528506757.db2.gz VQBRXBBTDSDMCE-MNOVXSKESA-N 1 0 228.336 0.605 10 0 BCAERO CCCCNC(=O)[C@H](C)[N@@H+]1C[C@H](C)C[C@@H](O)C1 ZINC000401647779 528537845 /nfs/dbraw/zinc/53/78/45/528537845.db2.gz IVHFWWIISSVMDN-GRYCIOLGSA-N 1 0 242.363 0.994 10 0 BCAERO CC[C@H](C)NC(=O)[C@H](C)[N@@H+]1C[C@@H](C)C[C@H](O)C1 ZINC000401672218 529171580 /nfs/dbraw/zinc/17/15/80/529171580.db2.gz VTILRCKNDZWWEV-BJDJZHNGSA-N 1 0 242.363 0.992 10 0 BCAERO Cc1c(N)ccc(=O)n1CCC[NH+](C)C ZINC000393729827 582920781 /nfs/dbraw/zinc/92/07/81/582920781.db2.gz NAAAONDDYJTHOV-UHFFFAOYSA-N 1 0 209.293 0.691 10 0 BCAERO CC[C@](C)(O)C[NH+]1CCC(CO)(OC)CC1 ZINC000401776479 529374127 /nfs/dbraw/zinc/37/41/27/529374127.db2.gz SRGVZEGFXKRIOQ-NSHDSACASA-N 1 0 231.336 0.621 10 0 BCAERO CC(C)(CNC(=O)CC[C@H]1CCC[NH2+]1)C(N)=O ZINC000261551288 535100252 /nfs/dbraw/zinc/10/02/52/535100252.db2.gz MAPDEHMIUNUUMH-SECBINFHSA-N 1 0 241.335 0.146 10 0 BCAERO CC(C)CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](CCO)C1 ZINC000227574584 535164784 /nfs/dbraw/zinc/16/47/84/535164784.db2.gz YLRCRTIJMXVNCZ-NEPJUHHUSA-N 1 0 242.363 0.851 10 0 BCAERO CC(C)[C@@H]1OCC[C@@H]1CNC(=O)C1C[NH2+]C1 ZINC000263348271 535294666 /nfs/dbraw/zinc/29/46/66/535294666.db2.gz ZUXZBKICCFDUMD-KOLCDFICSA-N 1 0 226.320 0.383 10 0 BCAERO CC(C)(O)C[NH+]1CCC(Cn2cncn2)CC1 ZINC000186206249 535304460 /nfs/dbraw/zinc/30/44/60/535304460.db2.gz FFWIYPAZVCDYSG-UHFFFAOYSA-N 1 0 238.335 0.761 10 0 BCAERO CCC1CCN(C(=O)[C@H]([NH3+])COC)CC1 ZINC000088003319 535325133 /nfs/dbraw/zinc/32/51/33/535325133.db2.gz QUCNIVIBMVDTSQ-SNVBAGLBSA-N 1 0 214.309 0.609 10 0 BCAERO CCNC(=O)[C@H](C)NC(=O)CC[C@H]1CCC[NH2+]1 ZINC000261548518 535394733 /nfs/dbraw/zinc/39/47/33/535394733.db2.gz JLZCPTQPTJFONA-VHSXEESVSA-N 1 0 241.335 0.159 10 0 BCAERO CCN(CC)C(=O)CN1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261554607 535435319 /nfs/dbraw/zinc/43/53/19/535435319.db2.gz PBPWCUOTAYTCKS-LLVKDONJSA-N 1 0 241.379 0.914 10 0 BCAERO CC[C@@H](C(=O)OC)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171641196 535449064 /nfs/dbraw/zinc/44/90/64/535449064.db2.gz JWCPYSNSTVDZMI-MNOVXSKESA-N 1 0 226.320 0.718 10 0 BCAERO CCNS(=O)(=O)N(C)C[C@@H]1CCC[N@@H+]1CC ZINC000175393962 535484811 /nfs/dbraw/zinc/48/48/11/535484811.db2.gz PVXKKBTZBPPANK-JTQLQIEISA-N 1 0 249.380 0.257 10 0 BCAERO CCOCCCNC(=O)[C@H]1C[NH2+]C[C@@H]1C ZINC000082558884 535545157 /nfs/dbraw/zinc/54/51/57/535545157.db2.gz SAPDZVXLITWUAU-UWVGGRQHSA-N 1 0 214.309 0.385 10 0 BCAERO CCOCCCNC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000085009289 535545520 /nfs/dbraw/zinc/54/55/20/535545520.db2.gz OODHPNMJCMUYPN-VHSXEESVSA-N 1 0 214.309 0.657 10 0 BCAERO CCC[C@H](C(=O)N1CCO[C@H](C)C1)[NH+](C)C ZINC000178643421 535577844 /nfs/dbraw/zinc/57/78/44/535577844.db2.gz AXMQLXQHXIFPHL-GHMZBOCLSA-N 1 0 228.336 0.964 10 0 BCAERO CC[C@@H](C)NC(=O)CN1CCC[C@H]1C[NH3+] ZINC000251772378 535581302 /nfs/dbraw/zinc/58/13/02/535581302.db2.gz ILOVERLEIIBBBC-ZJUUUORDSA-N 1 0 213.325 0.324 10 0 BCAERO CCOCCN(CC)C(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000085013236 535582141 /nfs/dbraw/zinc/58/21/41/535582141.db2.gz IIJXPEMHAYITFT-GHMZBOCLSA-N 1 0 228.336 0.999 10 0 BCAERO CCOCCN(CC)C(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000085013239 535583927 /nfs/dbraw/zinc/58/39/27/535583927.db2.gz IIJXPEMHAYITFT-WDEREUQCSA-N 1 0 228.336 0.999 10 0 BCAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCCOC ZINC000176367415 535587427 /nfs/dbraw/zinc/58/74/27/535587427.db2.gz ATJJXZKVDDMKOK-NSHDSACASA-N 1 0 243.351 0.759 10 0 BCAERO CCS(=O)(=O)CCN1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261588231 535628845 /nfs/dbraw/zinc/62/88/45/535628845.db2.gz SEVVUFCNTLAJFR-AXFHLTTASA-N 1 0 246.376 0.090 10 0 BCAERO CCOC(=O)CC[N@H+](C)[C@H]1CCC[C@H]1O ZINC000250665482 535645852 /nfs/dbraw/zinc/64/58/52/535645852.db2.gz HZGIVDMFPXEVJE-VHSXEESVSA-N 1 0 215.293 0.785 10 0 BCAERO CCOC(=O)[C@H](CC)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261541554 535648766 /nfs/dbraw/zinc/64/87/66/535648766.db2.gz BHUMVCMETGYWPG-QCNOEVLYSA-N 1 0 240.347 0.997 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N[C@H]1CCCC[C@@H]1C(N)=O ZINC000262463945 535680494 /nfs/dbraw/zinc/68/04/94/535680494.db2.gz LLPMBSRNJIHYHQ-GUBZILKMSA-N 1 0 241.335 0.274 10 0 BCAERO CCOC[C@H](O)C[NH+]1[C@H](C)COC[C@H]1C ZINC000247334073 535698619 /nfs/dbraw/zinc/69/86/19/535698619.db2.gz YAONYOKSFUVVHM-GMTAPVOTSA-N 1 0 217.309 0.493 10 0 BCAERO CCO[C@@H](C)c1nc([C@H]2C[NH2+]CCN2C)no1 ZINC000263247526 535733582 /nfs/dbraw/zinc/73/35/82/535733582.db2.gz PMBJGTCPEUOVMM-DTWKUNHWSA-N 1 0 240.307 0.743 10 0 BCAERO CC[C@@H]1COCCN1c1ccc(C[NH3+])nn1 ZINC000051397055 535837330 /nfs/dbraw/zinc/83/73/30/535837330.db2.gz XIVUBQJARULORQ-SNVBAGLBSA-N 1 0 222.292 0.551 10 0 BCAERO CC[C@@H]1CN(C(=O)[C@H]([NH3+])CCSC)C[C@H]1O ZINC000262603115 535837548 /nfs/dbraw/zinc/83/75/48/535837548.db2.gz ZFVDIAVBWTXSTL-OPRDCNLKSA-N 1 0 246.376 0.296 10 0 BCAERO CC[C@H](NC(=O)[C@H]([NH3+])COC)c1ccncc1 ZINC000262352494 535846377 /nfs/dbraw/zinc/84/63/77/535846377.db2.gz UPHXYVISQANQNW-MNOVXSKESA-N 1 0 237.303 0.623 10 0 BCAERO CC[C@]1(C)CCCN(C(=O)[C@@H]([NH3+])COC)C1 ZINC000262273730 535901716 /nfs/dbraw/zinc/90/17/16/535901716.db2.gz KUOFCQNBWXRXGW-CMPLNLGQSA-N 1 0 228.336 0.999 10 0 BCAERO CC[C@]1(C)C[C@@H]1C(=O)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000262343483 535930557 /nfs/dbraw/zinc/93/05/57/535930557.db2.gz TYOIIPATSLZXFR-BTQIBKBOSA-N 1 0 226.320 0.119 10 0 BCAERO CC[C@H](C)[C@H]([NH3+])C(=O)N1C[C@@H](CC)[C@H](O)C1 ZINC000262575595 535951733 /nfs/dbraw/zinc/95/17/33/535951733.db2.gz OGPCTANGOBONHJ-ZDCRXTMVSA-N 1 0 228.336 0.589 10 0 BCAERO CCn1c(C)nnc1CN1CC[C@@H]([NH2+]C)C1 ZINC000261992287 535973626 /nfs/dbraw/zinc/97/36/26/535973626.db2.gz MJJXFGSSWNARHV-SNVBAGLBSA-N 1 0 223.324 0.400 10 0 BCAERO CCn1c(C)nnc1CN1CC[NH2+][C@@H](C)C1 ZINC000262015946 535974082 /nfs/dbraw/zinc/97/40/82/535974082.db2.gz WCGCLIVPUXPFTB-VIFPVBQESA-N 1 0 223.324 0.400 10 0 BCAERO CCn1c(C)nnc1CN1CC[C@H]([NH2+]C)C1 ZINC000261992286 535974848 /nfs/dbraw/zinc/97/48/48/535974848.db2.gz MJJXFGSSWNARHV-JTQLQIEISA-N 1 0 223.324 0.400 10 0 BCAERO CCn1cc(CN2CC[C@@H]([NH3+])[C@H]2C)cn1 ZINC000261529031 536057402 /nfs/dbraw/zinc/05/74/02/536057402.db2.gz ACQLPCFOVAATFE-MWLCHTKSSA-N 1 0 208.309 0.825 10 0 BCAERO CC[C@H]1CC[C@@H](C(=O)N(C)C2C[NH2+]C2)O1 ZINC000261533497 536088186 /nfs/dbraw/zinc/08/81/86/536088186.db2.gz BDXNRRZVJZUTCF-UWVGGRQHSA-N 1 0 212.293 0.374 10 0 BCAERO CC[C@H](COC)NC(=O)[C@H]([NH3+])C1CCOCC1 ZINC000261603813 536117638 /nfs/dbraw/zinc/11/76/38/536117638.db2.gz AHNQAOSVJCDTPX-GHMZBOCLSA-N 1 0 244.335 0.282 10 0 BCAERO CC[C@H]1CN(C(C)=O)CC[C@H]1[NH2+]CCOC ZINC000393814363 582926531 /nfs/dbraw/zinc/92/65/31/582926531.db2.gz UUULJTBDSOATBH-NWDGAFQWSA-N 1 0 228.336 0.869 10 0 BCAERO Cc1cncc(CCn2cc[nH+]c2N)n1 ZINC000702623645 582926624 /nfs/dbraw/zinc/92/66/24/582926624.db2.gz SNEYJXOXBZCIFN-UHFFFAOYSA-N 1 0 203.249 0.806 10 0 BCAERO CCC[C@H](C)NC(=O)Cn1cc[nH+]c1N ZINC000702471773 582927300 /nfs/dbraw/zinc/92/73/00/582927300.db2.gz PINIJHCGDCHAEO-QMMMGPOBSA-N 1 0 210.281 0.770 10 0 BCAERO COC(=O)C[C@@H](C)NC(=O)C[C@H]1CC[NH2+]C1 ZINC000261593990 536304660 /nfs/dbraw/zinc/30/46/60/536304660.db2.gz XFTHHWDBDRCMEP-RKDXNWHRSA-N 1 0 228.292 0.054 10 0 BCAERO CNC(=O)N1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000335933960 536318836 /nfs/dbraw/zinc/31/88/36/536318836.db2.gz OOPKVLDOKBBUDT-WDEREUQCSA-N 1 0 241.335 0.247 10 0 BCAERO CN(CCC1CCOCC1)C(=O)C1C[NH2+]C1 ZINC000258759625 536323950 /nfs/dbraw/zinc/32/39/50/536323950.db2.gz RAFBDDCFENILAM-UHFFFAOYSA-N 1 0 226.320 0.481 10 0 BCAERO C[NH2+][C@H](C)CNC(=O)[C@H](O)c1ccccc1 ZINC000261560556 536399363 /nfs/dbraw/zinc/39/93/63/536399363.db2.gz AATFNCBELJNNHL-MWLCHTKSSA-N 1 0 222.288 0.444 10 0 BCAERO C[NH2+][C@H](C)CNS(=O)(=O)c1cc(C)oc1C ZINC000261854506 536402690 /nfs/dbraw/zinc/40/26/90/536402690.db2.gz XSLQEMCTHFJZLS-SSDOTTSWSA-N 1 0 246.332 0.783 10 0 BCAERO C[NH2+][C@H](C)CNS(=O)(=O)c1ccc(C)nc1 ZINC000261706126 536403241 /nfs/dbraw/zinc/40/32/41/536403241.db2.gz JOAXSUXLXKKBAG-SECBINFHSA-N 1 0 243.332 0.276 10 0 BCAERO CN1CCN(c2ncc3c(n2)CC[C@@H]([NH3+])C3)CC1 ZINC000020286127 536426543 /nfs/dbraw/zinc/42/65/43/536426543.db2.gz QYAUUAPOMDVJGU-LLVKDONJSA-N 1 0 247.346 0.044 10 0 BCAERO COCCCNC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171896351 536575419 /nfs/dbraw/zinc/57/54/19/536575419.db2.gz ABANYMUAMSSLKK-NSHDSACASA-N 1 0 241.335 0.513 10 0 BCAERO COC[C@]1(C(=O)N[C@H](C)CC2CC2)CC[NH2+]C1 ZINC000261556138 536656527 /nfs/dbraw/zinc/65/65/27/536656527.db2.gz QJKNGKOYIIHJEV-MFKMUULPSA-N 1 0 240.347 0.917 10 0 BCAERO COC[C@@H]([NH3+])C(=O)NC[C@H]1CCc2ccccc21 ZINC000262349156 536661897 /nfs/dbraw/zinc/66/18/97/536661897.db2.gz UGZPJDPOHJEPKD-DGCLKSJQSA-N 1 0 248.326 0.806 10 0 BCAERO COC[C@@H]([NH3+])C(=O)NCc1ccsc1 ZINC000088004278 536662789 /nfs/dbraw/zinc/66/27/89/536662789.db2.gz GWGVKMMMWDPRCN-MRVPVSSYSA-N 1 0 214.290 0.338 10 0 BCAERO COC[C@@H]([NH3+])C(=O)NCc1nc(C)c(C)s1 ZINC000262334271 536665346 /nfs/dbraw/zinc/66/53/46/536665346.db2.gz RYRXKRIFJNGSNZ-MRVPVSSYSA-N 1 0 243.332 0.350 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N[C@H](C)CC1CC1 ZINC000088004454 536668846 /nfs/dbraw/zinc/66/88/46/536668846.db2.gz XKQUYOKCBKEMLX-VXNVDRBHSA-N 1 0 200.282 0.265 10 0 BCAERO COC[C@@H]([NH3+])C(=O)Nc1ccc2c(c1)OCO2 ZINC000159589820 536671713 /nfs/dbraw/zinc/67/17/13/536671713.db2.gz RGCCPIBONAISSI-MRVPVSSYSA-N 1 0 238.243 0.328 10 0 BCAERO COc1cc(C)nc(N2CC[C@H]3[NH2+]CC[C@@H]3C2)n1 ZINC000261575191 536700005 /nfs/dbraw/zinc/70/00/05/536700005.db2.gz NDBHCNYVTKHTBL-GHMZBOCLSA-N 1 0 248.330 0.982 10 0 BCAERO COCC[C@@H](C)NC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000087047704 536773913 /nfs/dbraw/zinc/77/39/13/536773913.db2.gz RZOQSDRCKKPCKO-BBBLOLIVSA-N 1 0 230.308 0.034 10 0 BCAERO COC[C@@H](C)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000261547935 536862642 /nfs/dbraw/zinc/86/26/42/536862642.db2.gz MVAFPXTZMNYPEB-SECBINFHSA-N 1 0 216.325 0.712 10 0 BCAERO COCCCC(=O)N1CCC[C@H]1C[NH3+] ZINC000087438721 536868821 /nfs/dbraw/zinc/86/88/21/536868821.db2.gz DZPRYRIICQXSGW-VIFPVBQESA-N 1 0 200.282 0.363 10 0 BCAERO CC(C)(C)C[C@H]1CS(=O)(=O)C[C@H]1[NH3+] ZINC000075131303 537926304 /nfs/dbraw/zinc/92/63/04/537926304.db2.gz OJFZOQAVTAMMNS-JGVFFNPUSA-N 1 0 205.323 0.795 10 0 BCAERO CC[C@H]([NH2+]C)[C@H](C)n1cc(S(C)(=O)=O)cn1 ZINC000725252852 538035457 /nfs/dbraw/zinc/03/54/57/538035457.db2.gz OQBKBDTYMRXHMC-WPRPVWTQSA-N 1 0 245.348 0.846 10 0 BCAERO Cn1nccc1C1(O)C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000069019154 566261857 /nfs/dbraw/zinc/26/18/57/566261857.db2.gz SDXRTBLFMFMZQS-SLHIUPAKSA-N 1 0 207.277 0.522 10 0 BCAERO CC(C)OC(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725258201 566304679 /nfs/dbraw/zinc/30/46/79/566304679.db2.gz KJIDIROFLRJQKQ-UHFFFAOYSA-N 1 0 224.264 0.984 10 0 BCAERO C[C@@](CC[NH3+])(NC(=O)[C@H]1CCOC1)C(F)F ZINC000669380665 566425035 /nfs/dbraw/zinc/42/50/35/566425035.db2.gz OYWAJLPORAEACP-XVKPBYJWSA-N 1 0 236.262 0.512 10 0 BCAERO c1ccc([C@H]2CCNC3=[NH+]CCN32)nc1 ZINC000232480229 566491185 /nfs/dbraw/zinc/49/11/85/566491185.db2.gz FINBPUGFTXJUGN-SNVBAGLBSA-N 1 0 202.261 0.788 10 0 BCAERO COCC(C)(C)C[NH2+]C1CCN(CCO)CC1 ZINC000399116967 583170583 /nfs/dbraw/zinc/17/05/83/583170583.db2.gz GKFHAQSWRIHLJY-UHFFFAOYSA-N 1 0 244.379 0.705 10 0 BCAERO N[C@@H](C[NH3+])c1nc(N2CCCCC2)no1 ZINC000757121619 582496984 /nfs/dbraw/zinc/49/69/84/582496984.db2.gz PJPKWICGZYFQPV-ZETCQYMHSA-N 1 0 211.269 0.018 10 0 BCAERO CCOC[C@@H](O)c1nc(CC[NH3+])cs1 ZINC000757126257 582501466 /nfs/dbraw/zinc/50/14/66/582501466.db2.gz GQWLMXDVQUUPTC-MRVPVSSYSA-N 1 0 216.306 0.714 10 0 BCAERO C[NH2+]Cc1csc([C@H](O)CCOC)n1 ZINC000757127636 582503617 /nfs/dbraw/zinc/50/36/17/582503617.db2.gz JOBAERZEKQVZLR-MRVPVSSYSA-N 1 0 216.306 0.932 10 0 BCAERO C[C@@H]([NH2+]C[C@H](O)C(F)(F)F)[C@H](C)O ZINC000300354848 582519179 /nfs/dbraw/zinc/51/91/79/582519179.db2.gz KFTZRWXOZKRNDR-SRQIZXRXSA-N 1 0 201.188 0.269 10 0 BCAERO CN1CCOC[C@]12C[NH2+]C1(CC(C)(C)C1)OC2 ZINC000757139826 582520172 /nfs/dbraw/zinc/52/01/72/582520172.db2.gz HNRBPFRUJRXXLZ-LBPRGKRZSA-N 1 0 240.347 0.823 10 0 BCAERO [NH3+]C[C@H]1CCN1C[C@@H]1CCC(F)(F)CO1 ZINC000757141083 582521394 /nfs/dbraw/zinc/52/13/94/582521394.db2.gz CZHJDUYJOLFAKV-BDAKNGLRSA-N 1 0 220.263 0.834 10 0 BCAERO COC[C@@H]1CCO[C@]2(CCCOC2)[NH2+]1 ZINC000757143397 582523519 /nfs/dbraw/zinc/52/35/19/582523519.db2.gz CRBNHAAQFSNZRY-UWVGGRQHSA-N 1 0 201.266 0.518 10 0 BCAERO Cc1cc[nH+]c(N2CC[C@@H]2C(N)=O)c1N ZINC000757145207 582526973 /nfs/dbraw/zinc/52/69/73/582526973.db2.gz KXRIQIPPIWXMBW-SSDOTTSWSA-N 1 0 206.249 0.036 10 0 BCAERO COc1ncc(Cl)c(N2CC[C@H]2C[NH3+])n1 ZINC000757145084 582527346 /nfs/dbraw/zinc/52/73/46/582527346.db2.gz KOYDZKKXSWTPPX-LURJTMIESA-N 1 0 228.683 0.676 10 0 BCAERO C[NH+]1CCC2(CC1)NCC(F)(F)CO2 ZINC000757146953 582530572 /nfs/dbraw/zinc/53/05/72/582530572.db2.gz LWKOBRIJDSSGDK-UHFFFAOYSA-N 1 0 206.236 0.663 10 0 BCAERO [NH3+]C[C@@H]1CCN1c1nc(C2CC2)ns1 ZINC000757146833 582530636 /nfs/dbraw/zinc/53/06/36/582530636.db2.gz OWABIRXVQVYETH-ZETCQYMHSA-N 1 0 210.306 0.953 10 0 BCAERO C1C[C@@]2(CO1)CC[NH2+][C@@]1(CN3CCC1CC3)O2 ZINC000757149932 582534089 /nfs/dbraw/zinc/53/40/89/582534089.db2.gz WMKFPKQHPRMPEB-OLZOCXBDSA-N 1 0 238.331 0.577 10 0 BCAERO NC(=O)[C@H]1CCN1[C@@H]1CCCC[C@H]1C[NH3+] ZINC000757151812 582536367 /nfs/dbraw/zinc/53/63/67/582536367.db2.gz XQJWIYUFXIRNKC-IVZWLZJFSA-N 1 0 211.309 0.064 10 0 BCAERO NC(=O)[C@@H]1CC[N@H+]1CCCCCC(N)=S ZINC000757156364 582540470 /nfs/dbraw/zinc/54/04/70/582540470.db2.gz KKWYCJIAQWJMEI-QMMMGPOBSA-N 1 0 229.349 0.393 10 0 BCAERO CC1(C)C[C@@H](N2CC[C@H]2C(N)=O)CC[NH2+]1 ZINC000757163248 582544807 /nfs/dbraw/zinc/54/48/07/582544807.db2.gz ZAZZPTUXLAJCNF-IUCAKERBSA-N 1 0 211.309 0.077 10 0 BCAERO CCn1cc([C@H]2C[NH2+]C[C@H](C[NH3+])C2)cn1 ZINC000757234649 582563415 /nfs/dbraw/zinc/56/34/15/582563415.db2.gz LAVIZYNQETYLRB-VHSXEESVSA-N 1 0 208.309 0.555 10 0 BCAERO C[C@@H]1CN2C(=[NH+]CC[C@H]2c2ccnn2C)N1 ZINC000235435550 582579896 /nfs/dbraw/zinc/57/98/96/582579896.db2.gz TZIXUPBQMREUQX-SCZZXKLOSA-N 1 0 219.292 0.515 10 0 BCAERO O=C1CC[C@H](C[NH2+]Cc2ccc(O)cc2)N1 ZINC000070628103 582599370 /nfs/dbraw/zinc/59/93/70/582599370.db2.gz QCOAGEATBYGUAE-SNVBAGLBSA-N 1 0 220.272 0.760 10 0 BCAERO Cc1nc2n(n1)[C@@H]([C@@H]1CCC[NH2+]C1)CCN2 ZINC000236035565 582636597 /nfs/dbraw/zinc/63/65/97/582636597.db2.gz DTOCHYQCJZSAHQ-NXEZZACHSA-N 1 0 221.308 0.943 10 0 BCAERO [NH3+]CCc1nc2n(n1)[C@H]1CCC[C@H]1CN2 ZINC000236246662 582642840 /nfs/dbraw/zinc/64/28/40/582642840.db2.gz UWZCVKWJUSKERT-YUMQZZPRSA-N 1 0 207.281 0.546 10 0 BCAERO Cc1c(C[NH2+][C@H](C)C(C)(C)O)cnn1C ZINC000229807549 582673346 /nfs/dbraw/zinc/67/33/46/582673346.db2.gz BSEBFETYBMTASI-SECBINFHSA-N 1 0 211.309 0.978 10 0 BCAERO O=C(CCCCO)Nc1ccnn1C1C[NH2+]C1 ZINC000725259247 582798906 /nfs/dbraw/zinc/79/89/06/582798906.db2.gz SHSLVWZOOPOTST-UHFFFAOYSA-N 1 0 238.291 0.129 10 0 BCAERO C[N@@H+]1CCC[C@@H]1Cn1ccc(=O)c(N)c1 ZINC000386651349 582833198 /nfs/dbraw/zinc/83/31/98/582833198.db2.gz QJTGYWLMWLUYGY-SECBINFHSA-N 1 0 207.277 0.525 10 0 BCAERO [NH3+]CC1(C(=O)N[C@@H]2C=CCC2)CCOCC1 ZINC000829347190 582856987 /nfs/dbraw/zinc/85/69/87/582856987.db2.gz JECLWRFASGQRLI-SNVBAGLBSA-N 1 0 224.304 0.577 10 0 BCAERO CCC[NH2+][C@@](C)(Cn1ccnc1)C(N)=O ZINC000045432225 582877923 /nfs/dbraw/zinc/87/79/23/582877923.db2.gz FJNCUVJAYOIABU-JTQLQIEISA-N 1 0 210.281 0.127 10 0 BCAERO CCC(C)(C)NC(=O)Cn1cc[nH+]c1N ZINC000702470609 582926693 /nfs/dbraw/zinc/92/66/93/582926693.db2.gz AQDSTTGLYFRBOE-UHFFFAOYSA-N 1 0 210.281 0.770 10 0 BCAERO Cc1cc(N)nn1CC[NH+]1CCSCC1 ZINC000707261918 582961826 /nfs/dbraw/zinc/96/18/26/582961826.db2.gz GMEIWSUIQJAZAD-UHFFFAOYSA-N 1 0 226.349 0.823 10 0 BCAERO CC(C)n1nccc1[C@@H]1NC(=O)CC[C@@H]1[NH3+] ZINC000394517994 582990749 /nfs/dbraw/zinc/99/07/49/582990749.db2.gz FHFPPYRWXPJTOU-GZMMTYOYSA-N 1 0 222.292 0.742 10 0 BCAERO C[C@@H]1C[C@H]([NH2+][C@H]2CCCN(CCO)C2)CCO1 ZINC000395114186 583042726 /nfs/dbraw/zinc/04/27/26/583042726.db2.gz KHSHUOGPZYQNAX-UPJWGTAASA-N 1 0 242.363 0.600 10 0 BCAERO COC[C@@H]([NH2+]C1CCN(CCO)CC1)C1CC1 ZINC000399012737 583169464 /nfs/dbraw/zinc/16/94/64/583169464.db2.gz ZAQQZPGKDIFJHV-CYBMUJFWSA-N 1 0 242.363 0.458 10 0 BCAERO CN(C(=O)C1(C)CC1)C1(C[NH3+])CCOCC1 ZINC000675052807 583916010 /nfs/dbraw/zinc/91/60/10/583916010.db2.gz AANVIZGPXMIJBK-UHFFFAOYSA-N 1 0 226.320 0.753 10 0 BCAERO COc1ccc(Cn2cc[nH+]c2N)nn1 ZINC000702451925 584936884 /nfs/dbraw/zinc/93/68/84/584936884.db2.gz ZZWNKDXUQGFLSL-UHFFFAOYSA-N 1 0 205.221 0.312 10 0 BCAERO CCN(CC)C(=O)[C@H](C)n1cc[nH+]c1N ZINC000702466625 584937288 /nfs/dbraw/zinc/93/72/88/584937288.db2.gz MGBWRGZQQIYBSA-QMMMGPOBSA-N 1 0 210.281 0.895 10 0 BCAERO O=C1CC[C@@H](C[NH2+]Cc2ccc(O)c(F)c2)N1 ZINC000232422780 585030825 /nfs/dbraw/zinc/03/08/25/585030825.db2.gz VMWAAMAJFGSHRD-VIFPVBQESA-N 1 0 238.262 0.900 10 0 BCAERO CCC(CC)n1nnc2c1nc[nH+]c2NN ZINC000757564218 586253961 /nfs/dbraw/zinc/25/39/61/586253961.db2.gz CPOLKBKMNYVJNA-UHFFFAOYSA-N 1 0 221.268 0.868 10 0 BCAERO CCN(C)S(=O)(=O)C[C@@H]([NH3+])C(C)(C)C ZINC000757149270 586429024 /nfs/dbraw/zinc/42/90/24/586429024.db2.gz AOIPILIIKWARTK-MRVPVSSYSA-N 1 0 222.354 0.641 10 0 BCAERO CC(C)(C)[C@H]([NH3+])CS(=O)(=O)N1CCC1 ZINC000757152385 586429277 /nfs/dbraw/zinc/42/92/77/586429277.db2.gz VOWQSUVELRTSGJ-MRVPVSSYSA-N 1 0 220.338 0.395 10 0 BCAERO COc1nc(N2CC[C@@H]2C[NH3+])ncc1C ZINC000757154007 586429366 /nfs/dbraw/zinc/42/93/66/586429366.db2.gz XCFMAVSQEDDXOI-MRVPVSSYSA-N 1 0 208.265 0.331 10 0 BCAERO CC(C)(C)C[C@H]([NH3+])CS(=O)(=O)N1CCC1 ZINC000757152097 586429609 /nfs/dbraw/zinc/42/96/09/586429609.db2.gz URXIVRFLXPTUKR-VIFPVBQESA-N 1 0 234.365 0.785 10 0 BCAERO [NH3+]C[C@H]1CCN1CCCO[C@@H]1CCOC1 ZINC000757152120 586429740 /nfs/dbraw/zinc/42/97/40/586429740.db2.gz YVHILPJBOWYKML-GHMZBOCLSA-N 1 0 214.309 0.215 10 0 BCAERO CC[C@H](NC(=O)OC(C)(C)C)[C@H]([NH3+])CC(N)=O ZINC000757159311 586430462 /nfs/dbraw/zinc/43/04/62/586430462.db2.gz PABFLXKXDVNXRB-SFYZADRCSA-N 1 0 245.323 0.492 10 0 BCAERO CC[C@H](NC(=O)OC(C)(C)C)[C@@H]([NH3+])CC(N)=O ZINC000757159315 586430522 /nfs/dbraw/zinc/43/05/22/586430522.db2.gz PABFLXKXDVNXRB-YUMQZZPRSA-N 1 0 245.323 0.492 10 0 BCAERO CC[C@@H](NC(=O)OC(C)(C)C)[C@@H]([NH3+])CC(N)=O ZINC000757159309 586430538 /nfs/dbraw/zinc/43/05/38/586430538.db2.gz PABFLXKXDVNXRB-JGVFFNPUSA-N 1 0 245.323 0.492 10 0 BCAERO NC(=O)[C@H]([NH3+])CC(F)(F)C(F)(F)F ZINC000757175933 586433228 /nfs/dbraw/zinc/43/32/28/586433228.db2.gz YHZKHJKLFCMEKP-UWTATZPHSA-N 1 0 206.114 0.387 10 0 BCAERO COC(=O)[C@@H]1C[NH2+]C[C@H]1c1nccs1 ZINC000757186735 586434021 /nfs/dbraw/zinc/43/40/21/586434021.db2.gz FHYSVBXKXSHRIX-RNFRBKRXSA-N 1 0 212.274 0.619 10 0 BCAERO COC(=O)[C@H]1C[NH2+]C[C@@]12CCCSC2 ZINC000757186252 586434574 /nfs/dbraw/zinc/43/45/74/586434574.db2.gz WRWVCODYJVKMMV-PSASIEDQSA-N 1 0 215.318 0.892 10 0 BCAERO COC(=O)[C@H]1C[NH2+]C[C@]12CCSC2 ZINC000757186176 586434625 /nfs/dbraw/zinc/43/46/25/586434625.db2.gz WALCRHQZACHTHI-APPZFPTMSA-N 1 0 201.291 0.502 10 0 BCAERO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1c1cc[nH]c1 ZINC000757187959 586434994 /nfs/dbraw/zinc/43/49/94/586434994.db2.gz IVXQZOPGOWBYHW-VHSXEESVSA-N 1 0 208.261 0.881 10 0 BCAERO CCOC(=O)[C@H]1C[NH2+]C[C@H]1c1ncnn1CC ZINC000757189232 586435168 /nfs/dbraw/zinc/43/51/68/586435168.db2.gz MWGXZVVUOKZZMV-BDAKNGLRSA-N 1 0 238.291 0.164 10 0 BCAERO Cc1nn(-c2ccccn2)cc1C(N)=[NH2+] ZINC000757188480 586435213 /nfs/dbraw/zinc/43/52/13/586435213.db2.gz BQZPPAQVVSNYHX-UHFFFAOYSA-N 1 0 201.233 0.860 10 0 BCAERO COC(=O)[C@@H]1CC[NH2+][C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000757206693 586437264 /nfs/dbraw/zinc/43/72/64/586437264.db2.gz AJIBQGJYXOXPND-GMTAPVOTSA-N 1 0 226.320 0.527 10 0 BCAERO O=C([O-])[C@@H]1CCC[C@H](C2CC[NH2+]CC2)[NH2+]1 ZINC000757208019 586437959 /nfs/dbraw/zinc/43/79/59/586437959.db2.gz BZLLTQPLCANLJR-ZJUUUORDSA-N 1 0 212.293 0.581 10 0 BCAERO CC(C)(C)OC(=O)N1CC2(C1)CCO[C@@H]2C[NH3+] ZINC000757209958 586438358 /nfs/dbraw/zinc/43/83/58/586438358.db2.gz JXWAJNHMLLBZNH-SECBINFHSA-N 1 0 242.319 0.971 10 0 BCAERO O=C([O-])[C@@H]1[NH2+]CCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000757209455 586438550 /nfs/dbraw/zinc/43/85/50/586438550.db2.gz FEZGUBQYCQHDTL-KXUCPTDWSA-N 1 0 212.293 0.439 10 0 BCAERO O=C([O-])[C@H]1[NH2+]CCC[C@@H]1C1CC[NH2+]CC1 ZINC000757211609 586438845 /nfs/dbraw/zinc/43/88/45/586438845.db2.gz HUHDCHNVEYPLFV-ZJUUUORDSA-N 1 0 212.293 0.439 10 0 BCAERO O=C([O-])[C@H]1CC[C@H](C2CC[NH2+]CC2)[NH2+]C1 ZINC000757211895 586439016 /nfs/dbraw/zinc/43/90/16/586439016.db2.gz JHDLTOXMSWDUMO-VHSXEESVSA-N 1 0 212.293 0.439 10 0 BCAERO [NH3+]C[C@@H]1OC(=O)C[C@@]12CCCSC2 ZINC000757225293 586442690 /nfs/dbraw/zinc/44/26/90/586442690.db2.gz SFIMQSTXVUXPLJ-IONNQARKSA-N 1 0 201.291 0.774 10 0 BCAERO CCn1cc([C@@H]2NC[C@@H]([NH3+])C[C@@H]2C)cn1 ZINC000757227135 586442693 /nfs/dbraw/zinc/44/26/93/586442693.db2.gz AWQHMMSGRMIVMH-INTQDDNPSA-N 1 0 208.309 0.901 10 0 BCAERO CCn1cc([C@@H]2NC[C@@H]([NH3+])C[C@H]2C)cn1 ZINC000757227133 586442740 /nfs/dbraw/zinc/44/27/40/586442740.db2.gz AWQHMMSGRMIVMH-DVVUODLYSA-N 1 0 208.309 0.901 10 0 BCAERO Cc1ccc(N)cc1[C@H]1C[NH2+]C[C@H](N)C1 ZINC000757237576 586443575 /nfs/dbraw/zinc/44/35/75/586443575.db2.gz QGEZXEFANQUHAQ-MWLCHTKSSA-N 1 0 205.305 0.981 10 0 BCAERO C[C@@H]1C[C@H]([C@@H]2CC[C@H](C(=O)[O-])C[NH2+]2)CC[NH2+]1 ZINC000757235866 586443874 /nfs/dbraw/zinc/44/38/74/586443874.db2.gz MYOMKOKVZGLRDZ-ZNSHCXBVSA-N 1 0 226.320 0.827 10 0 BCAERO CC[C@@H](C)n1nnc2c1nc[nH+]c2NN ZINC000757564697 586461115 /nfs/dbraw/zinc/46/11/15/586461115.db2.gz FKKKXYNGZKBHAP-RXMQYKEDSA-N 1 0 207.241 0.478 10 0 BCAERO C[C@H]1C[C@@H]1n1nnc2c1nc[nH+]c2NN ZINC000757568848 586462157 /nfs/dbraw/zinc/46/21/57/586462157.db2.gz RKMGHDKFUZDLCL-WHFBIAKZSA-N 1 0 205.225 0.088 10 0 BCAERO [NH3+][C@@H](Cc1ccccc1)C(=O)N[C@@H]1CCCOC1 ZINC000103960412 587918022 /nfs/dbraw/zinc/91/80/22/587918022.db2.gz JGQCTZFVZOSWGQ-OLZOCXBDSA-N 1 0 248.326 0.852 10 0 BCAERO COc1cc(NC(=O)[C@@H]2CC[NH2+]C2)ccc1N ZINC000120040619 589363401 /nfs/dbraw/zinc/36/34/01/589363401.db2.gz BGKFFSADWMCUGV-MRVPVSSYSA-N 1 0 235.287 0.825 10 0 BCAERO CC(=O)CC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000120381051 589408459 /nfs/dbraw/zinc/40/84/59/589408459.db2.gz QZNOTFAKZCNGBC-SNVBAGLBSA-N 1 0 212.293 0.518 10 0 BCAERO Cn1ccnc1-c1noc([C@H]2CC[NH2+]C2)n1 ZINC000122168073 589560481 /nfs/dbraw/zinc/56/04/81/589560481.db2.gz QLZXICQTLRMCOE-ZETCQYMHSA-N 1 0 219.248 0.547 10 0 BCAERO C[C@@H]1C[N@H+](CCCCCCO)C[C@H](C(N)=O)O1 ZINC000122279710 589574028 /nfs/dbraw/zinc/57/40/28/589574028.db2.gz BUJZLCRBWBFPPO-GHMZBOCLSA-N 1 0 244.335 0.114 10 0 BCAERO C[C@@H]1C[N@H+](CCCCCCO)C[C@@H](C(N)=O)O1 ZINC000122279951 589574296 /nfs/dbraw/zinc/57/42/96/589574296.db2.gz BUJZLCRBWBFPPO-MNOVXSKESA-N 1 0 244.335 0.114 10 0 BCAERO O=C(NO[C@@H]1CCCCO1)[C@H]1CCC[NH2+]C1 ZINC000123163185 589670631 /nfs/dbraw/zinc/67/06/31/589670631.db2.gz UKPKQGMALJHKNX-VHSXEESVSA-N 1 0 228.292 0.560 10 0 BCAERO C[C@@H]1C[NH+](CCC2OCCO2)C[C@@H](C)O1 ZINC000123583303 589754975 /nfs/dbraw/zinc/75/49/75/589754975.db2.gz YLPMKFJOGJTELJ-NXEZZACHSA-N 1 0 215.293 0.859 10 0 BCAERO CC(=O)N[C@@H]1CCC[N@H+](CCC2OCCO2)C1 ZINC000123832585 589825100 /nfs/dbraw/zinc/82/51/00/589825100.db2.gz AWBHXNXGXSTKMU-LLVKDONJSA-N 1 0 242.319 0.350 10 0 BCAERO C[C@H]1CN(C(=O)n2ccnc2)C[C@@H]1[NH+](C)C ZINC000123932473 589863331 /nfs/dbraw/zinc/86/33/31/589863331.db2.gz DGPGGNHPKCTBSH-UWVGGRQHSA-N 1 0 222.292 0.733 10 0 BCAERO [NH3+]CCCNS(=O)(=O)/C=C\c1ccccc1 ZINC000209254248 590081065 /nfs/dbraw/zinc/08/10/65/590081065.db2.gz IXVPQWZFTGSYNL-YFHOEESVSA-N 1 0 240.328 0.926 10 0 BCAERO CS(=O)(=O)NCC[NH2+]CCc1ccccc1 ZINC000020203009 590085738 /nfs/dbraw/zinc/08/57/38/590085738.db2.gz IPMJILKTYUROFL-UHFFFAOYSA-N 1 0 242.344 0.368 10 0 BCAERO C[C@H]1OCC[C@@H]1NC(=O)[C@@H]1CCCC[NH2+]1 ZINC000125351321 590162248 /nfs/dbraw/zinc/16/22/48/590162248.db2.gz KBOOQURDBJJESM-UTLUCORTSA-N 1 0 212.293 0.422 10 0 BCAERO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@H](C)C1CC1 ZINC000126113642 590231341 /nfs/dbraw/zinc/23/13/41/590231341.db2.gz VWITZVHNNQWGKT-KCJUWKMLSA-N 1 0 241.335 0.001 10 0 BCAERO CCN(CC(C)C)C(=O)C1([NH3+])CCOCC1 ZINC000127739747 590766597 /nfs/dbraw/zinc/76/65/97/590766597.db2.gz LUZGWGBHMVCJPR-UHFFFAOYSA-N 1 0 228.336 0.999 10 0 BCAERO NC(=O)C[C@]1([NH3+])CCN(Cc2ccccc2)C1 ZINC000211512126 591179500 /nfs/dbraw/zinc/17/95/00/591179500.db2.gz JVSAROBXPSFJKU-CYBMUJFWSA-N 1 0 233.315 0.465 10 0 BCAERO CCOC(=O)[C@H](C)NC(=O)C[C@H]([NH3+])C(C)C ZINC000129007779 591206989 /nfs/dbraw/zinc/20/69/89/591206989.db2.gz DNWWNKKWAOYURI-IUCAKERBSA-N 1 0 230.308 0.428 10 0 BCAERO C[C@H]1[N@H+](Cc2ccccc2)CC[C@]1(N)CC(N)=O ZINC000211633967 591208751 /nfs/dbraw/zinc/20/87/51/591208751.db2.gz YUUOWUSRZOHSIA-RISCZKNCSA-N 1 0 247.342 0.854 10 0 BCAERO C[C@H]1C[C@](N)(CC(N)=O)C[N@@H+]1Cc1ccccc1 ZINC000211633567 591209196 /nfs/dbraw/zinc/20/91/96/591209196.db2.gz RAZYONAFKOBSBO-FZMZJTMJSA-N 1 0 247.342 0.854 10 0 BCAERO C[NH+](C)[C@H]1CCN(C(=O)C[C@@H]([NH3+])C2CC2)C1 ZINC000129875327 591414678 /nfs/dbraw/zinc/41/46/78/591414678.db2.gz DPLJNAZCGOWXPJ-WDEREUQCSA-N 1 0 225.336 0.276 10 0 BCAERO CCNC(=S)N1C[C@H](C)[C@H]([NH+](C)C)C1 ZINC000130401802 591464295 /nfs/dbraw/zinc/46/42/95/591464295.db2.gz CPEATDYTDKURMC-DTWKUNHWSA-N 1 0 215.366 0.763 10 0 BCAERO COCCNC(=S)N1C[C@H](C)[C@H]([NH+](C)C)C1 ZINC000130405102 591465319 /nfs/dbraw/zinc/46/53/19/591465319.db2.gz QLCFWTJJFJKJCS-VHSXEESVSA-N 1 0 245.392 0.389 10 0 BCAERO Oc1ccc(-c2noc([C@H]3C[C@@H](O)C[NH2+]3)n2)cc1 ZINC000131707432 591643585 /nfs/dbraw/zinc/64/35/85/591643585.db2.gz MYGGYUZDEILIOD-NXEZZACHSA-N 1 0 247.254 0.838 10 0 BCAERO [NH3+]C[C@@H]1CCCCN1C(=O)c1ccnnc1 ZINC000132539453 591718800 /nfs/dbraw/zinc/71/88/00/591718800.db2.gz DUJPELCMWQNNNO-JTQLQIEISA-N 1 0 220.276 0.430 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N(C)[C@H]1CCOC1 ZINC000133813956 591860839 /nfs/dbraw/zinc/86/08/39/591860839.db2.gz GGCGNQVYMWTTEK-IUCAKERBSA-N 1 0 200.282 0.361 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N(C)[C@@H]1CCOC1 ZINC000133813586 591860922 /nfs/dbraw/zinc/86/09/22/591860922.db2.gz GGCGNQVYMWTTEK-BDAKNGLRSA-N 1 0 200.282 0.361 10 0 BCAERO C[C@H]1OCC[C@H]1NC(=O)C(C)(C)C[NH3+] ZINC000134248885 591906269 /nfs/dbraw/zinc/90/62/69/591906269.db2.gz YPPGOFICZOLQRW-HTQZYQBOSA-N 1 0 200.282 0.265 10 0 BCAERO C[C@@H]1OCC[C@@H]1NC(=O)[C@@H]([NH3+])C(C)(C)C ZINC000134258815 591907714 /nfs/dbraw/zinc/90/77/14/591907714.db2.gz GEFLNVCIFIXSQR-XHNCKOQMSA-N 1 0 214.309 0.653 10 0 BCAERO CCOc1cc(NCC[NH2+]CCOC)ncn1 ZINC000215507601 591948641 /nfs/dbraw/zinc/94/86/41/591948641.db2.gz FCBWXQVFDFXTKW-UHFFFAOYSA-N 1 0 240.307 0.523 10 0 BCAERO COCC[NH2+]CCNc1nc(C)ns1 ZINC000215505914 591948823 /nfs/dbraw/zinc/94/88/23/591948823.db2.gz KFVJJLCAFCWQHL-UHFFFAOYSA-N 1 0 216.310 0.494 10 0 BCAERO CCc1cc(NCC[NH2+]CCOC)nc(C)n1 ZINC000215521428 591950736 /nfs/dbraw/zinc/95/07/36/591950736.db2.gz VKOCWVBJYDMOPH-UHFFFAOYSA-N 1 0 238.335 0.995 10 0 BCAERO CCN(CC)C(=O)CNC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000135265952 592000065 /nfs/dbraw/zinc/00/00/65/592000065.db2.gz CEVZGEGFGYXNDD-NXEZZACHSA-N 1 0 241.335 0.098 10 0 BCAERO CCN(CC)C(=O)CNC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000135265937 592000083 /nfs/dbraw/zinc/00/00/83/592000083.db2.gz CEVZGEGFGYXNDD-UWVGGRQHSA-N 1 0 241.335 0.098 10 0 BCAERO COCC[NH2+]CCNc1cc(C)ncn1 ZINC000216432126 592030612 /nfs/dbraw/zinc/03/06/12/592030612.db2.gz DUEGIKZOPLKLAE-UHFFFAOYSA-N 1 0 210.281 0.433 10 0 BCAERO CCOC(=O)[C@@H](C)NC(=O)[C@]1(C)CCCC[NH2+]1 ZINC000136180688 592100707 /nfs/dbraw/zinc/10/07/07/592100707.db2.gz LPIMNQHAYWRWQP-SKDRFNHKSA-N 1 0 242.319 0.586 10 0 BCAERO C[C@@]1(C(=O)NC[C@H]2COCCO2)CCCC[NH2+]1 ZINC000136175974 592100988 /nfs/dbraw/zinc/10/09/88/592100988.db2.gz MCFKFUDEMLCOSS-JQWIXIFHSA-N 1 0 242.319 0.050 10 0 BCAERO COCC[N@@H+]1CCN(CC(OC)OC)C[C@H]1C ZINC000136761209 592149856 /nfs/dbraw/zinc/14/98/56/592149856.db2.gz MAHOEULBVAISPQ-LLVKDONJSA-N 1 0 246.351 0.258 10 0 BCAERO COC(C[N@@H+]1CCC[C@@H]1C(=O)N(C)C)OC ZINC000136733373 592150465 /nfs/dbraw/zinc/15/04/65/592150465.db2.gz QGIDLIGKIGVCNR-SECBINFHSA-N 1 0 230.308 0.158 10 0 BCAERO [NH3+][C@H](CC(=O)N1CCn2ccnc2C1)C1CC1 ZINC000137396701 592175937 /nfs/dbraw/zinc/17/59/37/592175937.db2.gz BBPCBLPHZKKMGJ-SNVBAGLBSA-N 1 0 234.303 0.353 10 0 BCAERO [NH3+]CCCCCCNC(=O)n1ccnc1 ZINC000005117639 592477300 /nfs/dbraw/zinc/47/73/00/592477300.db2.gz AJZJRVGRJVTLCF-UHFFFAOYSA-N 1 0 210.281 0.960 10 0 BCAERO CO[C@@H]1CCN(C(=O)[C@H]2CCC[C@H]2C[NH3+])C1 ZINC000300042097 592501732 /nfs/dbraw/zinc/50/17/32/592501732.db2.gz NEHAQAJGWAABQX-AXFHLTTASA-N 1 0 226.320 0.609 10 0 BCAERO Nc1cnc(CN2CC[N@@H+]3CCCC[C@H]3C2)cn1 ZINC000300068372 592502319 /nfs/dbraw/zinc/50/23/19/592502319.db2.gz MSHBLKBGMAZNLN-LBPRGKRZSA-N 1 0 247.346 0.729 10 0 BCAERO O=C1C[C@H]([NH2+][C@@H]2CCCC[C@H]2CO)CCCN1 ZINC000300735162 592518527 /nfs/dbraw/zinc/51/85/27/592518527.db2.gz QHEMXIIWTWWIQX-QJPTWQEYSA-N 1 0 240.347 0.796 10 0 BCAERO CC(=O)[C@H]1CCC[N@@H+]([C@H](C)C(=O)NC2CC2)C1 ZINC000104408868 592613017 /nfs/dbraw/zinc/61/30/17/592613017.db2.gz BWIBZVZLUZQYDV-KOLCDFICSA-N 1 0 238.331 0.955 10 0 BCAERO CC1(C)[C@@H]([NH3+])C[C@@H]1NC(=O)[C@@H]1CCCO1 ZINC000122136614 592711306 /nfs/dbraw/zinc/71/13/06/592711306.db2.gz CSDHEZHQVSJSQL-CIUDSAMLSA-N 1 0 212.293 0.407 10 0 BCAERO CC(C)(C)OC(=O)N1CCC([C@H]([NH3+])CO)CC1 ZINC000115380835 592709538 /nfs/dbraw/zinc/70/95/38/592709538.db2.gz SWHXELIVNPDPBH-SNVBAGLBSA-N 1 0 244.335 0.953 10 0 BCAERO C([C@H]1CCCO1)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000257733575 634486834 /nfs/dbraw/zinc/48/68/34/634486834.db2.gz XOAVPFNYHILTJY-NEPJUHHUSA-N 1 0 210.321 0.993 10 0 BCAERO Cn1ncc2c1ncnc2N1CC[C@@H](CC[NH3+])C1 ZINC000125500757 634520321 /nfs/dbraw/zinc/52/03/21/634520321.db2.gz XKVHBCYUIFJWMP-SECBINFHSA-N 1 0 246.318 0.538 10 0 BCAERO C[C@@H]1CCN(c2ccnc(N(C)C)n2)C[C@H]1C[NH3+] ZINC000253200069 634532135 /nfs/dbraw/zinc/53/21/35/634532135.db2.gz WWGWXLUIJMERQE-GHMZBOCLSA-N 1 0 249.362 0.964 10 0 BCAERO CC[C@@H]1CN([C@@H]2C[NH2+]C[C@H]2O)C[C@@H](CC)O1 ZINC000398631965 634574093 /nfs/dbraw/zinc/57/40/93/634574093.db2.gz MNKABAXFTXOQFC-DDHJBXDOSA-N 1 0 228.336 0.209 10 0 BCAERO CC(C)OC(=O)CNC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000236761869 634585370 /nfs/dbraw/zinc/58/53/70/634585370.db2.gz KGEHVEJKONLBJF-RKDXNWHRSA-N 1 0 228.292 0.182 10 0 BCAERO [NH3+][C@@H]1CC[C@H](CNc2nccn3cnnc23)C1 ZINC000227651894 635452656 /nfs/dbraw/zinc/45/26/56/635452656.db2.gz FKRCJGNGCHYVBB-DTWKUNHWSA-N 1 0 232.291 0.664 10 0 BCAERO CC(C)C[C@H](O)CNC(=O)C1([NH3+])CCOCC1 ZINC000229217063 635468584 /nfs/dbraw/zinc/46/85/84/635468584.db2.gz ZCARPJOPBQSUAB-JTQLQIEISA-N 1 0 244.335 0.018 10 0 BCAERO CC(C)OC[C@H](O)CN(C)[C@H]1CC[NH2+]C1 ZINC000250590496 635488086 /nfs/dbraw/zinc/48/80/86/635488086.db2.gz SCPMHSUEJONFGH-WDEREUQCSA-N 1 0 216.325 0.066 10 0 BCAERO CC(C)[N@H+](C)CCNC(=O)n1ccnc1 ZINC000054131774 635609967 /nfs/dbraw/zinc/60/99/67/635609967.db2.gz OUUNKSCXMMYUEQ-UHFFFAOYSA-N 1 0 210.281 0.781 10 0 BCAERO CCOC(=O)/C=C\C[NH2+][C@H](C)COC ZINC000308317245 631282621 /nfs/dbraw/zinc/28/26/21/631282621.db2.gz BGCFGYVBMWWGKK-SSJHQANKSA-N 1 0 201.266 0.730 10 0 BCAERO COC(=O)[C@@H](C)N1CC[C@@H]([NH+](C)C)C1 ZINC000220125428 631301280 /nfs/dbraw/zinc/30/12/80/631301280.db2.gz NMUQREACSJJYGC-RKDXNWHRSA-N 1 0 200.282 0.184 10 0 BCAERO CN[C@H](C)c1nc(CC2CC[NH2+]CC2)no1 ZINC000258156456 631366473 /nfs/dbraw/zinc/36/64/73/631366473.db2.gz WNRKDFPISMQYIZ-MRVPVSSYSA-N 1 0 224.308 0.892 10 0 BCAERO Cc1nsc(N2CCO[C@H](C[NH3+])C2)n1 ZINC000083647646 631428647 /nfs/dbraw/zinc/42/86/47/631428647.db2.gz XYTYDMGNSODNPB-SSDOTTSWSA-N 1 0 214.294 0.010 10 0 BCAERO Cc1ccc(C(=O)NCC2CC([NH3+])C2)cn1 ZINC000084447086 631439491 /nfs/dbraw/zinc/43/94/91/631439491.db2.gz LNQSMXXRNWTQSD-UHFFFAOYSA-N 1 0 219.288 0.857 10 0 BCAERO C[C@H](O)CCNC(=O)C[C@H]([NH3+])C(C)(C)C ZINC000129554460 631468458 /nfs/dbraw/zinc/46/84/58/631468458.db2.gz VNYHCUYFQNGLRU-IUCAKERBSA-N 1 0 216.325 0.637 10 0 BCAERO C[C@@H]1CN([C@@H]2CCC[NH2+]C2)S(=O)(=O)C1 ZINC000086549862 631469507 /nfs/dbraw/zinc/46/95/07/631469507.db2.gz OJRGKMWOTNYAOZ-RKDXNWHRSA-N 1 0 218.322 0.020 10 0 BCAERO C[NH2+][C@@H](C)CNC(=O)C[C@@H]1CCCO1 ZINC000234418705 631513479 /nfs/dbraw/zinc/51/34/79/631513479.db2.gz CXHFREQDFRLYSM-IUCAKERBSA-N 1 0 200.282 0.280 10 0 BCAERO C[NH2+][C@H](C)CNC(=O)CC[C@@H]1CCCO1 ZINC000234427082 631520340 /nfs/dbraw/zinc/52/03/40/631520340.db2.gz SBQDCDXUTZKYLR-ZJUUUORDSA-N 1 0 214.309 0.670 10 0 BCAERO C[NH2+][C@@H](C)CNS(=O)(=O)c1ccccc1F ZINC000234435932 631523040 /nfs/dbraw/zinc/52/30/40/631523040.db2.gz NFEURFGNJJLCME-QMMMGPOBSA-N 1 0 246.307 0.712 10 0 BCAERO C[NH2+][C@@H](C)CNS(=O)(=O)N1CCC[C@@H](C)C1 ZINC000234434143 631523890 /nfs/dbraw/zinc/52/38/90/631523890.db2.gz FLCMNQHHVNIHCE-ZJUUUORDSA-N 1 0 249.380 0.161 10 0 BCAERO COC(=O)[C@@H](C)N(C)C[C@@H]1CCC[NH2+]C1 ZINC000234523321 631566617 /nfs/dbraw/zinc/56/66/17/631566617.db2.gz LEUBHRBWBJYHKB-NXEZZACHSA-N 1 0 214.309 0.479 10 0 BCAERO c1ccn2c(c1)nnc2CCN[C@@H]1CC[NH2+]C1 ZINC000094074910 631574830 /nfs/dbraw/zinc/57/48/30/631574830.db2.gz SZMMBWKLBXVXSN-SNVBAGLBSA-N 1 0 231.303 0.223 10 0 BCAERO CN(C)c1cc(NC[C@@H]2CC[NH2+]C2)ncn1 ZINC000258669369 631576954 /nfs/dbraw/zinc/57/69/54/631576954.db2.gz OGMPXTOGOBCAGO-SECBINFHSA-N 1 0 221.308 0.564 10 0 BCAERO O[C@@H](C[NH2+][C@@H]1CCOC1)c1cccnc1 ZINC000308872514 631700951 /nfs/dbraw/zinc/70/09/51/631700951.db2.gz LCCPRKGRVLDFPV-MNOVXSKESA-N 1 0 208.261 0.494 10 0 BCAERO COCC(=O)N1C[C@@H]2CC[N@H+](C)C[C@H]2C1 ZINC000308881945 631716771 /nfs/dbraw/zinc/71/67/71/631716771.db2.gz DICUBFROACOXRL-UWVGGRQHSA-N 1 0 212.293 0.043 10 0 BCAERO O=C1NCC[C@H]1[NH2+]Cc1ccc(Cl)nc1 ZINC000308882167 631716834 /nfs/dbraw/zinc/71/68/34/631716834.db2.gz QQZMEWMBGSAGIP-MRVPVSSYSA-N 1 0 225.679 0.713 10 0 BCAERO Nc1[nH+]ccn1CCn1ccsc1=O ZINC000700273820 631729492 /nfs/dbraw/zinc/72/94/92/631729492.db2.gz XFUAENWKPJXLGW-UHFFFAOYSA-N 1 0 210.262 0.389 10 0 BCAERO C[C@@H]([NH2+]C[C@@H]1CNC(=O)O1)c1cccnc1 ZINC000291627773 631760848 /nfs/dbraw/zinc/76/08/48/631760848.db2.gz AFTHWWNQVSJZQY-PSASIEDQSA-N 1 0 221.260 0.841 10 0 BCAERO CC[NH2+]CC(=O)NCC[C@H]1CCCO1 ZINC000044650793 631819750 /nfs/dbraw/zinc/81/97/50/631819750.db2.gz LGFQNVZTQFKFKF-SECBINFHSA-N 1 0 200.282 0.281 10 0 BCAERO CCOC(=O)[C@H](C[NH3+])C[C@H]1CCOC1 ZINC000051691090 631866712 /nfs/dbraw/zinc/86/67/12/631866712.db2.gz FWFJRSKBVYGJHW-BDAKNGLRSA-N 1 0 201.266 0.551 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)N1CCNC(=O)[C@@H]1C(C)C ZINC000158447496 631891117 /nfs/dbraw/zinc/89/11/17/631891117.db2.gz LPBZZQDZOMHCTI-ZJUUUORDSA-N 1 0 241.335 0.097 10 0 BCAERO C[C@H](NS(=O)(=O)[C@H]1CCC[NH2+]C1)C1CC1 ZINC000049643373 631899648 /nfs/dbraw/zinc/89/96/48/631899648.db2.gz PQIAEVANPISHAH-WPRPVWTQSA-N 1 0 232.349 0.456 10 0 BCAERO Cn1ncc(C[NH2+]C[C@@H]2CCC[C@@H]2O)n1 ZINC000309145882 631908115 /nfs/dbraw/zinc/90/81/15/631908115.db2.gz VDHWLQNHFQLKLI-WPRPVWTQSA-N 1 0 210.281 0.066 10 0 BCAERO O=C1NCCC[C@@H]1[NH2+]C[C@@H]1CCC=CO1 ZINC000050395428 631985016 /nfs/dbraw/zinc/98/50/16/631985016.db2.gz QNLBCCHYGZZYGH-UWVGGRQHSA-N 1 0 210.277 0.547 10 0 BCAERO C[C@H]([NH2+]C[C@H]1CNC(=O)O1)c1ccccn1 ZINC000292057616 631988990 /nfs/dbraw/zinc/98/89/90/631988990.db2.gz WJJMCRXQAFMECP-IUCAKERBSA-N 1 0 221.260 0.841 10 0 BCAERO C[C@H]([NH2+]C[C@@H]1CNC(=O)O1)c1ccccn1 ZINC000292057614 631989409 /nfs/dbraw/zinc/98/94/09/631989409.db2.gz WJJMCRXQAFMECP-DTWKUNHWSA-N 1 0 221.260 0.841 10 0 BCAERO Cn1ncc(C[NH2+][C@H]2CCCC[C@H]2CO)n1 ZINC000309302437 631992963 /nfs/dbraw/zinc/99/29/63/631992963.db2.gz YULBCIIOIGLXMD-ONGXEEELSA-N 1 0 224.308 0.456 10 0 BCAERO CC(C)(C)[C@@H](O)C[NH2+]C1(C(N)=O)CCCC1 ZINC000309358659 632010987 /nfs/dbraw/zinc/01/09/87/632010987.db2.gz OHSFEDQOHRXMJI-VIFPVBQESA-N 1 0 228.336 0.781 10 0 BCAERO C[C@@H](C[NH2+]C[C@H](O)c1cccnc1)N(C)C ZINC000309383762 632022037 /nfs/dbraw/zinc/02/20/37/632022037.db2.gz SLGOZISPUQOBLO-JQWIXIFHSA-N 1 0 223.320 0.655 10 0 BCAERO COC[C@H]([NH3+])C(=O)N1C[C@@H]2CC=CC[C@@H]2C1 ZINC000309478877 632101972 /nfs/dbraw/zinc/10/19/72/632101972.db2.gz CXXRVLVMDBMGPJ-AXFHLTTASA-N 1 0 224.304 0.385 10 0 BCAERO CC(C)OC[C@H](O)CN1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000252129091 635707839 /nfs/dbraw/zinc/70/78/39/635707839.db2.gz KMQZFELZPCJJOS-JHJVBQTASA-N 1 0 244.379 0.832 10 0 BCAERO CCn1ccnc(N2CC[C@H](CC[NH3+])C2)c1=O ZINC000125465047 632107875 /nfs/dbraw/zinc/10/78/75/632107875.db2.gz GIPUUVIBBFNFGP-JTQLQIEISA-N 1 0 236.319 0.438 10 0 BCAERO C[C@@H]1CN(c2ncc(C=O)cn2)C[C@H]1[NH+](C)C ZINC000252819470 635713910 /nfs/dbraw/zinc/71/39/10/635713910.db2.gz NCCGZPFMFDTEHC-MWLCHTKSSA-N 1 0 234.303 0.675 10 0 BCAERO Cc1nn(C)cc1C(=O)N[C@H]1C[NH+]2CCC1CC2 ZINC000222537317 635730809 /nfs/dbraw/zinc/73/08/09/635730809.db2.gz BUBHMFONTPJVOZ-LBPRGKRZSA-N 1 0 248.330 0.553 10 0 BCAERO CC(C)(C)OC(=O)NCC[NH2+]C(C)(C)CO ZINC000157205434 632420576 /nfs/dbraw/zinc/42/05/76/632420576.db2.gz GAWSZVWVGOBELY-UHFFFAOYSA-N 1 0 232.324 0.872 10 0 BCAERO COC1CC([NH2+]Cc2c(C)cnn2C)C1 ZINC000308920231 632440977 /nfs/dbraw/zinc/44/09/77/632440977.db2.gz GWRWDXVPBWGSFY-UHFFFAOYSA-N 1 0 209.293 0.996 10 0 BCAERO C[C@H]([NH2+]C[C@H]1CNC(=O)O1)c1ccnn1C ZINC000309549305 632480802 /nfs/dbraw/zinc/48/08/02/632480802.db2.gz HQVGJUVSQKDLSI-YUMQZZPRSA-N 1 0 224.264 0.179 10 0 BCAERO CCOC(=O)[C@@H]1C[NH2+]C[C@]12CCCOC2 ZINC000229214921 632528855 /nfs/dbraw/zinc/52/88/55/632528855.db2.gz BLQCAFFKJVRZGR-ONGXEEELSA-N 1 0 213.277 0.566 10 0 BCAERO C[NH2+]CC(=O)N1CCC[C@H]1c1cnn(C)c1 ZINC000082276256 632549129 /nfs/dbraw/zinc/54/91/29/632549129.db2.gz SDHYNXPNHUKDLE-JTQLQIEISA-N 1 0 222.292 0.303 10 0 BCAERO COC(=O)c1ccc(C[NH2+][C@H](C)[C@H](C)O)o1 ZINC000309637353 632596468 /nfs/dbraw/zinc/59/64/68/632596468.db2.gz JTXKFODSJIOLJA-SFYZADRCSA-N 1 0 227.260 0.925 10 0 BCAERO COC(=O)c1occc1C[NH2+][C@@H](C)[C@H](C)O ZINC000309665346 632636381 /nfs/dbraw/zinc/63/63/81/632636381.db2.gz SZSFKGWRULFWNN-YUMQZZPRSA-N 1 0 227.260 0.925 10 0 BCAERO C[C@@H]1CN(c2ncnc3c2cnn3C)[C@H](C)C[NH2+]1 ZINC000086471176 632647578 /nfs/dbraw/zinc/64/75/78/632647578.db2.gz SJLOOISKHWEUCS-RKDXNWHRSA-N 1 0 246.318 0.550 10 0 BCAERO C(c1noc(C[C@@H]2C[NH2+]CCO2)n1)C1CCC1 ZINC000310243613 632711753 /nfs/dbraw/zinc/71/17/53/632711753.db2.gz UHRWEJZSUSRWMO-SNVBAGLBSA-N 1 0 237.303 0.943 10 0 BCAERO CCCCOC[C@@H](O)C[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000310276441 632713915 /nfs/dbraw/zinc/71/39/15/632713915.db2.gz JUMOCKLTOKTSGW-QWHCGFSZSA-N 1 0 244.379 0.835 10 0 BCAERO CC(=O)CCC(=O)N1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000310297067 632715953 /nfs/dbraw/zinc/71/59/53/632715953.db2.gz ATSIKCWNEXNJMG-NWDGAFQWSA-N 1 0 238.331 0.766 10 0 BCAERO CCCc1nsc(NC[C@@H]2C[NH2+]CCO2)n1 ZINC000227786826 632819457 /nfs/dbraw/zinc/81/94/57/632819457.db2.gz WHONCHSCCJAWEA-QMMMGPOBSA-N 1 0 242.348 0.891 10 0 BCAERO COC(=O)c1ccc(N(C)C[C@H](C)[NH3+])nn1 ZINC000309222622 632824103 /nfs/dbraw/zinc/82/41/03/632824103.db2.gz YWSTZPXETNGRPY-ZETCQYMHSA-N 1 0 224.264 0.047 10 0 BCAERO CC[C@]1([NH2+]C[C@@H]2CNC(=O)O2)CCOC1 ZINC000309228814 632827675 /nfs/dbraw/zinc/82/76/75/632827675.db2.gz WJSKMGFPIRRWSG-WPRPVWTQSA-N 1 0 214.265 0.254 10 0 BCAERO C[NH2+]C1(C(=O)N2C[C@@H](C)O[C@@H](C)C2)CCC1 ZINC000309295707 632900448 /nfs/dbraw/zinc/90/04/48/632900448.db2.gz WYZZXDZSJIPJLT-AOOOYVTPSA-N 1 0 226.320 0.764 10 0 BCAERO O[C@@H](COCc1ccccc1)COC1C[NH2+]C1 ZINC000236533278 632961874 /nfs/dbraw/zinc/96/18/74/632961874.db2.gz PBNZJUNJEGDBCW-LBPRGKRZSA-N 1 0 237.299 0.553 10 0 BCAERO C[C@@H]1[NH2+]CCC[C@H]1Nc1ncnc2c1cnn2C ZINC000229595818 632980785 /nfs/dbraw/zinc/98/07/85/632980785.db2.gz JRILAXKTHUKDRY-WCBMZHEXSA-N 1 0 246.318 0.916 10 0 BCAERO CSCC[C@@H]([NH3+])C(=O)N[C@H]1CCC[C@@H](O)C1 ZINC000163589870 633061118 /nfs/dbraw/zinc/06/11/18/633061118.db2.gz BFTDBYOAVMVIMK-IVZWLZJFSA-N 1 0 246.376 0.487 10 0 BCAERO O=c1cc(N2CC[N@@H+]3CCC[C@@H]3C2)nc[nH]1 ZINC000165428025 633091120 /nfs/dbraw/zinc/09/11/20/633091120.db2.gz WMWLNIOXSYBVHM-SECBINFHSA-N 1 0 220.276 0.054 10 0 BCAERO C[C@@H]1CN(C[C@@H](O)CC(F)(F)F)C[C@@H]1[NH3+] ZINC000307943085 633141211 /nfs/dbraw/zinc/14/12/11/633141211.db2.gz REWIQQGCTFDTFZ-CSMHCCOUSA-N 1 0 226.242 0.579 10 0 BCAERO Cc1cc(N)nc(NC[C@@H]2CCC[C@@H]2O)[nH+]1 ZINC000892702986 633156221 /nfs/dbraw/zinc/15/62/21/633156221.db2.gz FLCDMSGWPMJOFV-IUCAKERBSA-N 1 0 222.292 0.940 10 0 BCAERO CC(C)[C@@H](CO)[NH2+]C[C@H](O)c1cccnc1 ZINC000309563241 633201858 /nfs/dbraw/zinc/20/18/58/633201858.db2.gz LOVCGWNTAQGMLL-NEPJUHHUSA-N 1 0 224.304 0.722 10 0 BCAERO c1cc(-c2noc([C@@H]3CC[NH2+]C3)n2)no1 ZINC000309690216 633227832 /nfs/dbraw/zinc/22/78/32/633227832.db2.gz IXUYIXOQTYEENK-ZCFIWIBFSA-N 1 0 206.205 0.802 10 0 BCAERO c1cnc(N2CCC[C@]23CC[NH2+]C3)cn1 ZINC000034076640 636011195 /nfs/dbraw/zinc/01/11/95/636011195.db2.gz UTDCHRIOAZMHNF-LLVKDONJSA-N 1 0 204.277 0.809 10 0 BCAERO CCNC(=S)N[C@H]1CC[N@H+](CC)C1 ZINC000307043551 635981371 /nfs/dbraw/zinc/98/13/71/635981371.db2.gz MZBJTZLQZOQNEV-QMMMGPOBSA-N 1 0 201.339 0.565 10 0 BCAERO CC(C)OC[C@H](O)CN(C)[C@@H](C[NH3+])C1CC1 ZINC000126766264 636025422 /nfs/dbraw/zinc/02/54/22/636025422.db2.gz DJCHWINMGNDUGA-NEPJUHHUSA-N 1 0 230.352 0.441 10 0 BCAERO C[C@@H]1CCCCN1C(=O)C[NH2+]C(C)(C)CO ZINC000067486219 636139745 /nfs/dbraw/zinc/13/97/45/636139745.db2.gz GXFWNGOPBMGCQL-SNVBAGLBSA-N 1 0 228.336 0.748 10 0 BCAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]CCC1OCCO1 ZINC000309829984 633790649 /nfs/dbraw/zinc/79/06/49/633790649.db2.gz YIFSZKWBEXIXDF-DTWKUNHWSA-N 1 0 228.292 0.006 10 0 BCAERO CC(C)(CO)[NH2+]C[C@H](O)Cc1ccccc1 ZINC000309377680 633904285 /nfs/dbraw/zinc/90/42/85/633904285.db2.gz RMGAPIQLAMCZFC-GFCCVEGCSA-N 1 0 223.316 0.951 10 0 BCAERO CCN1CCO[C@@H](C[NH2+]Cc2cn[nH]c2)C1 ZINC000309927238 633948010 /nfs/dbraw/zinc/94/80/10/633948010.db2.gz VXAAXHBWRRETJN-NSHDSACASA-N 1 0 224.308 0.220 10 0 BCAERO COC(=O)[C@@]1(C)CCC[N@@H+]1CCC1OCCO1 ZINC000186370505 634073296 /nfs/dbraw/zinc/07/32/96/634073296.db2.gz GRGKPWKWPMPRQE-GFCCVEGCSA-N 1 0 243.303 0.777 10 0 BCAERO CC(C)[C@@H]([NH3+])C(=O)N[C@H](C)[C@@H]1CCCO1 ZINC000035734967 634079399 /nfs/dbraw/zinc/07/93/99/634079399.db2.gz NMHFVUMHHKEWPM-KXUCPTDWSA-N 1 0 214.309 0.653 10 0 BCAERO COC(=O)[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1C ZINC000310353420 634131747 /nfs/dbraw/zinc/13/17/47/634131747.db2.gz HOHZAYWWHNFWAG-VHSXEESVSA-N 1 0 238.291 0.019 10 0 BCAERO CCc1ccccc1NC(=O)[C@@H]([NH3+])CO ZINC000220317787 634261195 /nfs/dbraw/zinc/26/11/95/634261195.db2.gz BCVRBCPHEAFBOY-VIFPVBQESA-N 1 0 208.261 0.507 10 0 BCAERO Cc1cc(C)cc(NC(=O)[C@@H]([NH3+])CO)c1 ZINC000220317458 634261224 /nfs/dbraw/zinc/26/12/24/634261224.db2.gz OXILOQABYXNNRY-JTQLQIEISA-N 1 0 208.261 0.562 10 0 BCAERO Cc1cccc(CN(C)C(=O)[C@@H]([NH3+])CO)c1 ZINC000258996774 635231950 /nfs/dbraw/zinc/23/19/50/635231950.db2.gz QRLDRKILGJBLHY-NSHDSACASA-N 1 0 222.288 0.273 10 0 BCAERO CCCc1ccc(NC(=O)[C@@H]([NH3+])CO)cc1 ZINC000259025790 635233876 /nfs/dbraw/zinc/23/38/76/635233876.db2.gz TWGIFBWDKLNPGK-NSHDSACASA-N 1 0 222.288 0.897 10 0 BCAERO CN(Cc1ccc(Cl)cc1)C(=O)[C@@H]([NH3+])CO ZINC000259058507 635236810 /nfs/dbraw/zinc/23/68/10/635236810.db2.gz WGINYDWOMBOIEB-JTQLQIEISA-N 1 0 242.706 0.618 10 0 BCAERO COC(=O)c1ccc(C[NH2+][C@H](C)[C@H](C)O)[nH]1 ZINC000336725929 635256548 /nfs/dbraw/zinc/25/65/48/635256548.db2.gz BZILFEDOUBXKQY-SFYZADRCSA-N 1 0 226.276 0.660 10 0 BCAERO C[C@@H]1COC[C@H](C)N1C(=O)CC(C)(C)[NH3+] ZINC000178597804 635560932 /nfs/dbraw/zinc/56/09/32/635560932.db2.gz NRRDJJQXGUZSHE-DTORHVGOSA-N 1 0 214.309 0.750 10 0 BCAERO CC[C@H](C)[N@@H+]1C[C@H](O)C[C@H]1C(=O)OC ZINC000192737418 636268476 /nfs/dbraw/zinc/26/84/76/636268476.db2.gz WYHDVBBWABHGCZ-YIZRAAEISA-N 1 0 201.266 0.393 10 0 BCAERO CCOC(=O)[C@H](C)NC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054308945 636358018 /nfs/dbraw/zinc/35/80/18/636358018.db2.gz UNWWRMUHKASNQM-UWVGGRQHSA-N 1 0 242.319 0.444 10 0 BCAERO [NH3+]C[C@@H]1CCCCN1c1nccn2cnnc12 ZINC000079471109 636386662 /nfs/dbraw/zinc/38/66/62/636386662.db2.gz VQMRLHFYOOZZRS-VIFPVBQESA-N 1 0 232.291 0.442 10 0 BCAERO [NH3+]C1CCN(CCNc2ccccn2)CC1 ZINC000321205893 636584469 /nfs/dbraw/zinc/58/44/69/636584469.db2.gz PPALFNJHDUQVHH-UHFFFAOYSA-N 1 0 220.320 0.917 10 0 BCAERO CCC[C@@H](C(=O)NC1=NCCS1)[NH+](C)C ZINC000179115478 636640915 /nfs/dbraw/zinc/64/09/15/636640915.db2.gz BLUDPLUIOJRCCS-QMMMGPOBSA-N 1 0 229.349 0.936 10 0 BCAERO C[C@H]([NH2+]C(C)(C)CO)C(=O)N1CCCCC1 ZINC000035101990 636741943 /nfs/dbraw/zinc/74/19/43/636741943.db2.gz JJNURXCPJUIUJB-JTQLQIEISA-N 1 0 228.336 0.748 10 0 BCAERO CCn1ncnc1[C@H]([NH3+])Cc1c[nH]cn1 ZINC000054498862 636742865 /nfs/dbraw/zinc/74/28/65/636742865.db2.gz JFOUTFFCTUBYIT-MRVPVSSYSA-N 1 0 206.253 0.264 10 0 BCAERO C[C@H]([NH3+])C(=O)NC[C@H]1CCCC[C@@H]1O ZINC000082994842 636871466 /nfs/dbraw/zinc/87/14/66/636871466.db2.gz HLHKAFOGVGNKDS-YIZRAAEISA-N 1 0 200.282 0.001 10 0 BCAERO Cn1cc(CNC(=O)[C@@H]2CC[C@@H]([NH3+])C2)cn1 ZINC000085012012 636874457 /nfs/dbraw/zinc/87/44/57/636874457.db2.gz SAONZVQHNSLKHM-NXEZZACHSA-N 1 0 222.292 0.164 10 0 BCAERO C[C@H](O)[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC000346375472 637094795 /nfs/dbraw/zinc/09/47/95/637094795.db2.gz KMRUOTGVTMYRKN-IUCAKERBSA-N 1 0 214.309 0.214 10 0 BCAERO CN(C[C@@H]1CCCO1)[C@@H](C[NH3+])C(F)(F)F ZINC000042463419 637267964 /nfs/dbraw/zinc/26/79/64/637267964.db2.gz OTWWJGBMPIFTKA-YUMQZZPRSA-N 1 0 226.242 0.987 10 0 BCAERO CC[C@@H](C(=O)N[C@@H]1CCC(=O)N[C@@H]1C)[NH+](C)C ZINC000908004806 638544790 /nfs/dbraw/zinc/54/47/90/638544790.db2.gz UZMOQAYUHKFEKK-BBBLOLIVSA-N 1 0 241.335 0.110 10 0 BCAERO Fc1cc(N2CC[N@@H+]3CCC[C@@H]3C2)ncn1 ZINC000150143025 639377073 /nfs/dbraw/zinc/37/70/73/639377073.db2.gz VGYLOQVHRRIYMC-SECBINFHSA-N 1 0 222.267 0.900 10 0 BCAERO C[C@@H](O)[C@H]([NH3+])c1nc(-c2cccs2)nn1C ZINC000054699804 640321798 /nfs/dbraw/zinc/32/17/98/640321798.db2.gz SCPGWUICQWREON-SVRRBLITSA-N 1 0 238.316 0.924 10 0 BCAERO C[C@H](O)[C@H]([NH3+])c1nc(C2CCCC2)nn1C ZINC000054699197 640322351 /nfs/dbraw/zinc/32/23/51/640322351.db2.gz AJTJWWWDOKXNCL-CBAPKCEASA-N 1 0 224.308 0.853 10 0 BCAERO Cc1cc(Cl)ccc1NC(=O)[C@@H]([NH3+])CO ZINC000222388759 640484198 /nfs/dbraw/zinc/48/41/98/640484198.db2.gz WSELSPSKXAZEFN-QMMMGPOBSA-N 1 0 228.679 0.907 10 0 BCAERO O=C(N[C@H]1C[NH+]2CCC1CC2)c1ccncc1 ZINC000222590826 640493607 /nfs/dbraw/zinc/49/36/07/640493607.db2.gz VPFHCXWGCKGSJK-LBPRGKRZSA-N 1 0 231.299 0.906 10 0 BCAERO COC(=O)[C@](C)([NH3+])CCn1nc(C)cc1C ZINC000045433822 640556095 /nfs/dbraw/zinc/55/60/95/640556095.db2.gz VFTHGBJAQVVDJE-LLVKDONJSA-N 1 0 225.292 0.780 10 0 BCAERO CCOC(=O)[C@](C)([NH3+])CCCn1cccn1 ZINC000045434638 640558087 /nfs/dbraw/zinc/55/80/87/640558087.db2.gz CFGBIMWATQUGKM-LLVKDONJSA-N 1 0 225.292 0.944 10 0 BCAERO CC(C)[NH2+][C@@](C)(Cn1cc(Cl)cn1)C(N)=O ZINC000045436937 640558716 /nfs/dbraw/zinc/55/87/16/640558716.db2.gz IPWCJTHSSNEGCE-JTQLQIEISA-N 1 0 244.726 0.779 10 0 BCAERO CCC[NH2+][C@H](Cn1ccnc1CC)C(N)=O ZINC000045460502 640566185 /nfs/dbraw/zinc/56/61/85/640566185.db2.gz DCPPRYPBJJICQX-SECBINFHSA-N 1 0 224.308 0.299 10 0 BCAERO CCc1nccn1CC[C@](C)([NH3+])C(=O)OC ZINC000045460661 640566362 /nfs/dbraw/zinc/56/63/62/640566362.db2.gz ZFHNBFFURFXUTJ-NSHDSACASA-N 1 0 225.292 0.726 10 0 BCAERO C[NH2+][C@@H]1CCN(c2nc(C)cc(OC)n2)C1 ZINC000166466350 640644856 /nfs/dbraw/zinc/64/48/56/640644856.db2.gz BYCNCDBXONPAEC-SECBINFHSA-N 1 0 222.292 0.592 10 0 BCAERO CC[C@@H](C(N)=O)[N@@H+]1CCC[C@@H](C(C)=O)C1 ZINC000224870504 640645220 /nfs/dbraw/zinc/64/52/20/640645220.db2.gz NEOBCIVKXZSWGX-ZJUUUORDSA-N 1 0 212.293 0.551 10 0 BCAERO CC[C@@H]1CC[NH2+][C@H](CC(=O)C(=O)OC)C1 ZINC000167561583 640731045 /nfs/dbraw/zinc/73/10/45/640731045.db2.gz JILHGCKRJOBZDQ-BDAKNGLRSA-N 1 0 213.277 0.897 10 0 BCAERO CC[NH2+]CC(=O)N1CCC([C@@H](C)O)CC1 ZINC000226332601 640747444 /nfs/dbraw/zinc/74/74/44/640747444.db2.gz WXFOFJUGXJTCBU-SECBINFHSA-N 1 0 214.309 0.215 10 0 BCAERO CC(C)C[C@H](O)CNC(=O)[C@@H]1CC[NH2+]C1 ZINC000226368966 640754795 /nfs/dbraw/zinc/75/47/95/640754795.db2.gz OLPUUOKIDZCJFZ-ZJUUUORDSA-N 1 0 214.309 0.119 10 0 BCAERO CC(C)n1cncc1CN1CCOC[C@H]1CO ZINC000168874155 640831239 /nfs/dbraw/zinc/83/12/39/640831239.db2.gz SWICVUCGFKTTGG-GFCCVEGCSA-N 1 0 239.319 0.657 10 0 BCAERO C([C@H]1COCCO1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000227417956 640832304 /nfs/dbraw/zinc/83/23/04/640832304.db2.gz VZRUQCMYHFHODB-NEPJUHHUSA-N 1 0 226.320 0.182 10 0 BCAERO CCCCOC(=O)Cn1cc(C[NH3+])nn1 ZINC000169037829 640839625 /nfs/dbraw/zinc/83/96/25/640839625.db2.gz SRXOVSTUJXOCCD-UHFFFAOYSA-N 1 0 212.253 0.080 10 0 BCAERO CCCCOC[C@@H](O)COC1C[NH2+]C1 ZINC000227902074 640852554 /nfs/dbraw/zinc/85/25/54/640852554.db2.gz HCPBLZRRSKFKHL-SECBINFHSA-N 1 0 203.282 0.152 10 0 BCAERO COC(=O)[C@@H]1CCCCN1C(=O)[C@@H](C)[C@@H](C)[NH3+] ZINC000228606253 640885518 /nfs/dbraw/zinc/88/55/18/640885518.db2.gz RWQFVDBDQOOWBP-AEJSXWLSSA-N 1 0 242.319 0.524 10 0 BCAERO CCOCC[N@@H+]1C[C@H](C)[C@@H](C(=O)OC)C1 ZINC000228697708 640890384 /nfs/dbraw/zinc/89/03/84/640890384.db2.gz PQKVTVSSZXBPNW-UWVGGRQHSA-N 1 0 215.293 0.764 10 0 BCAERO C[NH2+][C@H](C)C(=O)NCC(C)(C)SC ZINC000229109102 640924725 /nfs/dbraw/zinc/92/47/25/640924725.db2.gz JTSXKYSXHIRYMZ-SSDOTTSWSA-N 1 0 204.339 0.852 10 0 BCAERO CCOC(=O)[C@@H]1C[NH2+]C[C@@]12CCCOCC2 ZINC000229213467 640934019 /nfs/dbraw/zinc/93/40/19/640934019.db2.gz ZOHPWOOOJUTCLD-JQWIXIFHSA-N 1 0 227.304 0.956 10 0 BCAERO CCOC(=O)[C@H]1C[NH2+]C[C@H]1c1cnn(C)c1 ZINC000229215743 640934787 /nfs/dbraw/zinc/93/47/87/640934787.db2.gz MVORICMWVWFIJG-UWVGGRQHSA-N 1 0 223.276 0.286 10 0 BCAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC[S@@](C)=O ZINC000229283113 640940971 /nfs/dbraw/zinc/94/09/71/640940971.db2.gz NREPNBHULCQOBL-UEKVPHQBSA-N 1 0 230.377 0.533 10 0 BCAERO CCOC(=O)/C=C/CN1CC[C@H]([NH+](C)C)C1 ZINC000087638789 640951442 /nfs/dbraw/zinc/95/14/42/640951442.db2.gz IGTIYWSVJPEIEP-QRGHLMKCSA-N 1 0 226.320 0.742 10 0 BCAERO CC[C@@](C)(O)C[N@@H+]1CC[C@H](NC(=O)OC)C1 ZINC000229396582 640954256 /nfs/dbraw/zinc/95/42/56/640954256.db2.gz RUBUYJNMVMXJSY-GXSJLCMTSA-N 1 0 230.308 0.578 10 0 BCAERO C[C@]1(NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)CCOC1 ZINC000229464152 640957828 /nfs/dbraw/zinc/95/78/28/640957828.db2.gz KLCWIZQHFYQIPG-KKZNHRDASA-N 1 0 212.293 0.409 10 0 BCAERO C[NH2+][C@H](C)C(=O)NC[C@H]1CSCCS1 ZINC000229607287 640968860 /nfs/dbraw/zinc/96/88/60/640968860.db2.gz CIPPWEGZBSXNRW-SFYZADRCSA-N 1 0 234.390 0.559 10 0 BCAERO CCS(=O)(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000061883941 641003184 /nfs/dbraw/zinc/00/31/84/641003184.db2.gz CGYIVDHUWWXTLM-SFYZADRCSA-N 1 0 206.311 0.053 10 0 BCAERO [NH3+]C[C@H]1CCC[C@H]1NS(=O)(=O)N1CCCC1 ZINC000061884004 641003198 /nfs/dbraw/zinc/00/31/98/641003198.db2.gz UAMIYYZPTPYDNS-NXEZZACHSA-N 1 0 247.364 0.044 10 0 BCAERO CCCCS(=O)(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000061883934 641003378 /nfs/dbraw/zinc/00/33/78/641003378.db2.gz XXRKWUNRDULVCY-NXEZZACHSA-N 1 0 234.365 0.833 10 0 BCAERO C[C@H](O)C1CCN(C(=O)C[C@H]([NH3+])C2CC2)CC1 ZINC000230062548 641009673 /nfs/dbraw/zinc/00/96/73/641009673.db2.gz ZYOQCWWEKXRVTJ-CABZTGNLSA-N 1 0 240.347 0.733 10 0 BCAERO C[C@H](O)C1CCN(C(=O)C[C@@H]([NH3+])C2CC2)CC1 ZINC000230062540 641009907 /nfs/dbraw/zinc/00/99/07/641009907.db2.gz ZYOQCWWEKXRVTJ-JOYOIKCWSA-N 1 0 240.347 0.733 10 0 BCAERO [NH3+][C@@H](CC(=O)NC[C@@H](O)C(F)(F)F)C1CC1 ZINC000230062358 641010074 /nfs/dbraw/zinc/01/00/74/641010074.db2.gz ZDQKNTCQUZFFHI-NKWVEPMBSA-N 1 0 240.225 0.153 10 0 BCAERO C[C@@H]1CN(c2cnc(CO)cn2)C[C@@H]1[NH+](C)C ZINC000230082695 641018301 /nfs/dbraw/zinc/01/83/01/641018301.db2.gz BZEPZUQOTJLMGA-KOLCDFICSA-N 1 0 236.319 0.355 10 0 BCAERO CCN(c1cn[nH]c(=O)c1Cl)[C@H]1CC[NH2+]C1 ZINC000087798504 641048556 /nfs/dbraw/zinc/04/85/56/641048556.db2.gz AUTCRIUYMHOOPZ-ZETCQYMHSA-N 1 0 242.710 0.612 10 0 BCAERO CC[NH2+][C@@H](CCn1nc(C)cc1C)C(N)=O ZINC000062535244 641057557 /nfs/dbraw/zinc/05/75/57/641057557.db2.gz LAIDYPYBTNMWSU-JTQLQIEISA-N 1 0 224.308 0.353 10 0 BCAERO CC[NH2+][C@H](CCn1ccnc1C)C(N)=O ZINC000062535075 641057667 /nfs/dbraw/zinc/05/76/67/641057667.db2.gz UCQGSJAPTIJKHA-SECBINFHSA-N 1 0 210.281 0.045 10 0 BCAERO CC[NH2+][C@H](CCn1nc(C)cc1C)C(N)=O ZINC000062535250 641057787 /nfs/dbraw/zinc/05/77/87/641057787.db2.gz LAIDYPYBTNMWSU-SNVBAGLBSA-N 1 0 224.308 0.353 10 0 BCAERO Cc1nccn1CC[C@H]([NH2+]C(C)C)C(N)=O ZINC000062535163 641058303 /nfs/dbraw/zinc/05/83/03/641058303.db2.gz ZCQHTCFYIBORAU-JTQLQIEISA-N 1 0 224.308 0.434 10 0 BCAERO COC(=O)[C@H]([NH3+])CCn1cnc(C)c1C ZINC000062538721 641058575 /nfs/dbraw/zinc/05/85/75/641058575.db2.gz SUDJUJJWCVJEKX-SECBINFHSA-N 1 0 211.265 0.390 10 0 BCAERO CCOC(=O)[C@H]([NH3+])CCn1ccnc1CC ZINC000062537410 641058877 /nfs/dbraw/zinc/05/88/77/641058877.db2.gz BKYSNLYAEVGVKT-SECBINFHSA-N 1 0 225.292 0.726 10 0 BCAERO Cc1cnn(CC[C@H]([NH2+]C2CC2)C(N)=O)c1 ZINC000062535975 641059234 /nfs/dbraw/zinc/05/92/34/641059234.db2.gz HSGYSUQQTNLRQY-JTQLQIEISA-N 1 0 222.292 0.188 10 0 BCAERO C[NH2+][C@@H](CCn1nc(C)c(Cl)c1C)C(N)=O ZINC000062538263 641059454 /nfs/dbraw/zinc/05/94/54/641059454.db2.gz MJPVVDZAHCJOBD-QMMMGPOBSA-N 1 0 244.726 0.617 10 0 BCAERO CC(C)CNC(=O)[C@H](C)OC1C[NH2+]C1 ZINC000062809768 641093592 /nfs/dbraw/zinc/09/35/92/641093592.db2.gz XOPUVBAQRFQRPK-QMMMGPOBSA-N 1 0 200.282 0.136 10 0 BCAERO CCC(CC)NC(=O)[C@@H](C)OC1C[NH2+]C1 ZINC000062809803 641093608 /nfs/dbraw/zinc/09/36/08/641093608.db2.gz HDEDTUKUQZWMFM-MRVPVSSYSA-N 1 0 214.309 0.668 10 0 BCAERO C[C@@H](OC1C[NH2+]C1)C(=O)NC(C)(C)C ZINC000062809764 641094313 /nfs/dbraw/zinc/09/43/13/641094313.db2.gz PMMPLOCTXMSTMD-SSDOTTSWSA-N 1 0 200.282 0.278 10 0 BCAERO CCC[C@H](C)NC(=O)COC1C[NH2+]C1 ZINC000062809989 641095817 /nfs/dbraw/zinc/09/58/17/641095817.db2.gz NEFUIZWOSNWQNF-QMMMGPOBSA-N 1 0 200.282 0.280 10 0 BCAERO CC(C)(C)[NH2+]CCN1CCO[C@H](CO)C1 ZINC000230978411 641120672 /nfs/dbraw/zinc/12/06/72/641120672.db2.gz NASDCWYFCRRDPY-JTQLQIEISA-N 1 0 216.325 0.068 10 0 BCAERO CS(=O)(=O)CC[NH2+][C@@H]1CCCC[C@H]1CO ZINC000231311147 641153747 /nfs/dbraw/zinc/15/37/47/641153747.db2.gz BBAZYBVSHKBPLR-VHSXEESVSA-N 1 0 235.349 0.172 10 0 BCAERO CCS(=O)(=O)CC[NH2+][C@H]1CCCC[C@H]1CO ZINC000231312621 641153886 /nfs/dbraw/zinc/15/38/86/641153886.db2.gz HXMKEUKIWBGLND-QWRGUYRKSA-N 1 0 249.376 0.562 10 0 BCAERO [NH3+]C1CC(CNC(=O)c2cnn3ccccc23)C1 ZINC000231926553 641216780 /nfs/dbraw/zinc/21/67/80/641216780.db2.gz FSGAQSNDYUPGGP-UHFFFAOYSA-N 1 0 244.298 0.801 10 0 BCAERO COC[C@H]([NH3+])C(=O)N[C@H](C)C1CCCC1 ZINC000088004500 641223285 /nfs/dbraw/zinc/22/32/85/641223285.db2.gz SFYQEMJEZVHYBZ-SCZZXKLOSA-N 1 0 214.309 0.655 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N[C@H](C)[C@H]1CCCO1 ZINC000232013883 641230886 /nfs/dbraw/zinc/23/08/86/641230886.db2.gz QRSMSGLITCVPHR-KXUCPTDWSA-N 1 0 214.309 0.798 10 0 BCAERO CO[C@@H](C[NH3+])Cc1nc([C@@H](OC)C2CC2)no1 ZINC000232132686 641244826 /nfs/dbraw/zinc/24/48/26/641244826.db2.gz ADINYVAPHQNJDR-SCZZXKLOSA-N 1 0 241.291 0.683 10 0 BCAERO COC[C@@H](C)[NH2+]C/C=C(/C)C(=O)OC ZINC000232428951 641278712 /nfs/dbraw/zinc/27/87/12/641278712.db2.gz KJUDUVBBPGBWEG-BZJXQOFCSA-N 1 0 201.266 0.730 10 0 BCAERO [NH3+][C@H]1CC[C@H](C(=O)NCc2ccon2)C1 ZINC000088052919 641283143 /nfs/dbraw/zinc/28/31/43/641283143.db2.gz NWVZVNGZSAQREH-YUMQZZPRSA-N 1 0 209.249 0.418 10 0 BCAERO CC(C)([NH3+])c1cn(Cc2csc(N)n2)nn1 ZINC000675074289 641324627 /nfs/dbraw/zinc/32/46/27/641324627.db2.gz ZGSZUJXLPALGNL-UHFFFAOYSA-N 1 0 238.320 0.559 10 0 BCAERO CC(C)OC[C@H](O)CN1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000232702815 641362818 /nfs/dbraw/zinc/36/28/18/641362818.db2.gz USRCAZSUFQWNRC-MXWKQRLJSA-N 1 0 216.325 0.051 10 0 BCAERO C[C@@H]([NH3+])CS(=O)(=O)N1CCCCC1 ZINC000041215233 641543683 /nfs/dbraw/zinc/54/36/83/641543683.db2.gz QEEZFAHZWCBHBD-MRVPVSSYSA-N 1 0 206.311 0.149 10 0 BCAERO CN(C[C@H]1CCCO1)C(=O)C1CC[NH2+]CC1 ZINC000042465745 641552563 /nfs/dbraw/zinc/55/25/63/641552563.db2.gz PLQQJUFSEQIOOG-LLVKDONJSA-N 1 0 226.320 0.623 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1c1nc(-c2ccncn2)no1 ZINC000156275543 641602576 /nfs/dbraw/zinc/60/25/76/641602576.db2.gz IHHIPFWYVAFMAP-HTQZYQBOSA-N 1 0 231.259 0.850 10 0 BCAERO CCONC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000156370963 641604951 /nfs/dbraw/zinc/60/49/51/641604951.db2.gz HDNBVLRYEXXDNS-VHSXEESVSA-N 1 0 229.324 0.966 10 0 BCAERO C[C@H](NC(=O)C(C)(C)C[NH3+])[C@H]1CCCO1 ZINC000044751675 641607897 /nfs/dbraw/zinc/60/78/97/641607897.db2.gz RPTQUXGXHDRTAE-DTWKUNHWSA-N 1 0 214.309 0.655 10 0 BCAERO C[C@@H](NC(=O)[C@H]1CCCC[NH2+]1)[C@@H]1CCCO1 ZINC000157992489 641624542 /nfs/dbraw/zinc/62/45/42/641624542.db2.gz YMRLWWAYHHKLHN-MXWKQRLJSA-N 1 0 226.320 0.812 10 0 BCAERO [NH3+][C@H]1CCCN(C(=O)[C@@H]2CSCCS2)C1 ZINC000158519673 641637987 /nfs/dbraw/zinc/63/79/87/641637987.db2.gz VTPOINVZCDQZDU-IUCAKERBSA-N 1 0 246.401 0.785 10 0 BCAERO C[C@@H]1CN(C(=O)[C@H]2CCCC[C@@H]2C[NH3+])CCO1 ZINC000089385545 641675126 /nfs/dbraw/zinc/67/51/26/641675126.db2.gz OZUANQXPFUPKCG-UTUOFQBUSA-N 1 0 240.347 0.999 10 0 BCAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CN1CCCC1=O ZINC000153205920 641730075 /nfs/dbraw/zinc/73/00/75/641730075.db2.gz BBIBDJGFCYGXIE-VXGBXAGGSA-N 1 0 237.347 0.735 10 0 BCAERO CN1C[C@H](CC[NH2+][C@@H]2CCCC[C@H]2O)CC1=O ZINC000723390809 711510262 /nfs/dbraw/zinc/51/02/62/711510262.db2.gz GPOWTTHBJYGLPQ-IJLUTSLNSA-N 1 0 240.347 0.748 10 0 BCAERO CCCNC(=O)C[NH2+]Cc1ccc(F)nc1 ZINC000188967439 641777569 /nfs/dbraw/zinc/77/75/69/641777569.db2.gz AYIFJBGUGPNAOR-UHFFFAOYSA-N 1 0 225.267 0.837 10 0 BCAERO CCC(C)(C)NC(=O)[C@H](C)N1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000232844829 641850605 /nfs/dbraw/zinc/85/06/05/641850605.db2.gz SWYJADAOVUUOKU-VWYCJHECSA-N 1 0 241.379 0.959 10 0 BCAERO CC(C)(C)[C@H](O)CNC[C@@H]1CCC[NH2+]1 ZINC000324457752 641875116 /nfs/dbraw/zinc/87/51/16/641875116.db2.gz XHRRYCRDLXKJMH-VHSXEESVSA-N 1 0 200.326 0.735 10 0 BCAERO CSc1ccc(NC(=O)[C@@H]([NH3+])CO)cc1 ZINC000077989979 641894850 /nfs/dbraw/zinc/89/48/50/641894850.db2.gz VPUPHBJMMPCQGK-VIFPVBQESA-N 1 0 226.301 0.667 10 0 BCAERO O=C(NC[C@H]1CCC[C@H]1O)[C@@H]1CCCC[NH2+]1 ZINC000154161093 641973952 /nfs/dbraw/zinc/97/39/52/641973952.db2.gz MYHIXKBVYYQCNO-OUAUKWLOSA-N 1 0 226.320 0.406 10 0 BCAERO CCC1CCC(C(N)=O)(N2CC[NH2+]CC2)CC1 ZINC000037945754 642433824 /nfs/dbraw/zinc/43/38/24/642433824.db2.gz IKDKIHXNPJPQLK-UHFFFAOYSA-N 1 0 239.363 0.716 10 0 BCAERO [NH3+][C@H]1CCCN(C(=O)[C@H]2CCCCO2)C1 ZINC000050970913 642436249 /nfs/dbraw/zinc/43/62/49/642436249.db2.gz KNHICWHLEKJHCM-VHSXEESVSA-N 1 0 212.293 0.505 10 0 BCAERO CCCS(=O)(=O)CC[NH2+][C@H](C)COC ZINC000233255349 642655947 /nfs/dbraw/zinc/65/59/47/642655947.db2.gz IGAHLTWATKIKLX-SECBINFHSA-N 1 0 223.338 0.436 10 0 BCAERO CCN(CC)C(=O)[C@H](C)N1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000233454640 642672495 /nfs/dbraw/zinc/67/24/95/642672495.db2.gz IMXDCSJCXVZFGI-VWYCJHECSA-N 1 0 227.352 0.522 10 0 BCAERO CCOc1cc(N2C[C@H]([NH3+])[C@@H](C)C2)ncn1 ZINC000233788727 642694679 /nfs/dbraw/zinc/69/46/79/642694679.db2.gz NRQKHHGPSMOXME-IUCAKERBSA-N 1 0 222.292 0.659 10 0 BCAERO CCOc1cc(N2C[C@@H](C)[C@@H]([NH3+])C2)ncn1 ZINC000233788221 642695219 /nfs/dbraw/zinc/69/52/19/642695219.db2.gz NRQKHHGPSMOXME-BDAKNGLRSA-N 1 0 222.292 0.659 10 0 BCAERO CCS(=O)(=O)CCNC[C@H]1CCC[NH2+]C1 ZINC000233824646 642699909 /nfs/dbraw/zinc/69/99/09/642699909.db2.gz MYAOLAJOYDVRQG-JTQLQIEISA-N 1 0 234.365 0.010 10 0 BCAERO C[C@H]1C[C@H]1C(=O)N1C[C@@H](F)C[C@H]1C[NH3+] ZINC000306431322 642742596 /nfs/dbraw/zinc/74/25/96/642742596.db2.gz RGGZCXDPQFDIFH-XSPKLOCKSA-N 1 0 200.257 0.540 10 0 BCAERO COCCOCC[N@@H+]1CCC[C@@H](C(C)=O)C1 ZINC000070027403 642955600 /nfs/dbraw/zinc/95/56/00/642955600.db2.gz HUZURDHLRYFEIX-GFCCVEGCSA-N 1 0 229.320 0.950 10 0 BCAERO CC[NH2+]CC(=O)N[C@H]1COc2ccccc21 ZINC000070069102 642966241 /nfs/dbraw/zinc/96/62/41/642966241.db2.gz IPAIBHZVFRHODZ-JTQLQIEISA-N 1 0 220.272 0.846 10 0 BCAERO C[C@H]([NH3+])CC(=O)N[C@@H]1COc2ccccc21 ZINC000070069123 642966635 /nfs/dbraw/zinc/96/66/35/642966635.db2.gz IVTVIVUZQQDJIL-WCBMZHEXSA-N 1 0 220.272 0.974 10 0 BCAERO C[NH2+]C[C@H]1CCCCN1C[C@@H](O)COC(C)C ZINC000070100135 642969048 /nfs/dbraw/zinc/96/90/48/642969048.db2.gz AFQCDJYKHBOUOK-CHWSQXEVSA-N 1 0 244.379 0.846 10 0 BCAERO COC(=O)[C@@H]1CCC[N@H+](CC2OCCO2)C1 ZINC000182205210 642971525 /nfs/dbraw/zinc/97/15/25/642971525.db2.gz XGNMRHLBNMEABB-SECBINFHSA-N 1 0 229.276 0.244 10 0 BCAERO C[C@@H]1COC[C@H](C)N1CC1OCCO1 ZINC000182341707 643000982 /nfs/dbraw/zinc/00/09/82/643000982.db2.gz ULPYXCCQMJOAJZ-DTORHVGOSA-N 1 0 201.266 0.469 10 0 BCAERO CCOC(=O)[C@H](C)NC(=O)[C@@]1(C)CCC[NH2+]1 ZINC000070619152 643048385 /nfs/dbraw/zinc/04/83/85/643048385.db2.gz AQWVHCOUARHABD-GZMMTYOYSA-N 1 0 228.292 0.196 10 0 BCAERO CCC[NH2+][C@@](C)(Cn1nccc1C)C(N)=O ZINC000070686784 643058236 /nfs/dbraw/zinc/05/82/36/643058236.db2.gz YAVWCILPIXUZML-NSHDSACASA-N 1 0 224.308 0.435 10 0 BCAERO COC(=O)[C@@](C)([NH3+])CCCn1nccc1C ZINC000070687085 643060324 /nfs/dbraw/zinc/06/03/24/643060324.db2.gz ZXNOBZRDVOAOFT-NSHDSACASA-N 1 0 225.292 0.862 10 0 BCAERO Cc1ccnn1CC[C@@H]([NH2+]C1CC1)C(N)=O ZINC000070686833 643060394 /nfs/dbraw/zinc/06/03/94/643060394.db2.gz PLBLRNKNZVQUAX-SNVBAGLBSA-N 1 0 222.292 0.188 10 0 BCAERO C[NH2+][C@@](Cn1nccc1C)(C(N)=O)C1CC1 ZINC000070686842 643060822 /nfs/dbraw/zinc/06/08/22/643060822.db2.gz ZAZMXROOAYKTJS-LLVKDONJSA-N 1 0 222.292 0.045 10 0 BCAERO Cc1c(Cl)cnn1CCC[C@](C)([NH3+])C(N)=O ZINC000070704624 643064866 /nfs/dbraw/zinc/06/48/66/643064866.db2.gz WYNPZOOBEKMNQX-JTQLQIEISA-N 1 0 244.726 0.828 10 0 BCAERO CCCS(=O)(=O)CC[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000183135949 643091261 /nfs/dbraw/zinc/09/12/61/643091261.db2.gz IVRRIRQLAKUFIO-MNOVXSKESA-N 1 0 249.376 0.968 10 0 BCAERO [NH3+]CCCCCC(=O)N[C@@H]1CCCOC1 ZINC000071023638 643095100 /nfs/dbraw/zinc/09/51/00/643095100.db2.gz FNYAQPMNDYDSRC-SNVBAGLBSA-N 1 0 214.309 0.801 10 0 BCAERO CC(C)[C@@H](C)NS(=O)(=O)CC1CC[NH2+]CC1 ZINC000049642696 643132029 /nfs/dbraw/zinc/13/20/29/643132029.db2.gz RLKSJLGKDOFKSO-SNVBAGLBSA-N 1 0 248.392 0.950 10 0 BCAERO C[C@@H]1CC[NH2+][C@H](C(=O)N[C@H]2CCCOC2)C1 ZINC000253157973 643169004 /nfs/dbraw/zinc/16/90/04/643169004.db2.gz QNPJXMBEQFKSKG-VWYCJHECSA-N 1 0 226.320 0.670 10 0 BCAERO C[C@@H]1C[N@@H+]([C@@H]2CCCC[C@H]2O)C[C@H]1CO ZINC000248690872 643195408 /nfs/dbraw/zinc/19/54/08/643195408.db2.gz ADUKXNKNUAMSPF-WRWGMCAJSA-N 1 0 213.321 0.850 10 0 BCAERO C[NH+](C)[C@H]1CCN(C(=O)C(F)(F)F)C1 ZINC000082277865 643291134 /nfs/dbraw/zinc/29/11/34/643291134.db2.gz YBYJLYOXNCPDAQ-LURJTMIESA-N 1 0 210.199 0.711 10 0 BCAERO C[C@@H](O)C1CCN(C(=O)[C@@H]([NH3+])CC2CC2)CC1 ZINC000306101470 643296733 /nfs/dbraw/zinc/29/67/33/643296733.db2.gz PPEAZTMPFFFJFL-SKDRFNHKSA-N 1 0 240.347 0.733 10 0 BCAERO CCc1cc(N2CC[C@@H]2C[NH3+])nc(C)n1 ZINC000757144206 643314951 /nfs/dbraw/zinc/31/49/51/643314951.db2.gz IVZDAJPWQKJAHD-SNVBAGLBSA-N 1 0 206.293 0.885 10 0 BCAERO CCCN(CC)S(=O)(=O)C[C@H]([NH3+])CC ZINC000757149491 643334650 /nfs/dbraw/zinc/33/46/50/643334650.db2.gz DCPMVSYOVBCKIP-SECBINFHSA-N 1 0 222.354 0.785 10 0 BCAERO COC[C@H]1CCOC2(CC[NH+](C)CC2)N1 ZINC000757151995 643342692 /nfs/dbraw/zinc/34/26/92/643342692.db2.gz UNVODLZUTYFOKT-SNVBAGLBSA-N 1 0 214.309 0.433 10 0 BCAERO Cc1cc(N(C)C[C@@H](C)[NH3+])n2ncnc2n1 ZINC000082592683 643351997 /nfs/dbraw/zinc/35/19/97/643351997.db2.gz XLLOETJJHANMDN-SSDOTTSWSA-N 1 0 220.280 0.216 10 0 BCAERO CC[C@@H](C(N)=O)[N@@H+]1CCC[C@H](C(C)=O)C1 ZINC000082644557 643359655 /nfs/dbraw/zinc/35/96/55/643359655.db2.gz NEOBCIVKXZSWGX-UWVGGRQHSA-N 1 0 212.293 0.551 10 0 BCAERO Cc1ncn([C@@H](C)C[C@@](C)([NH3+])C(N)=O)c1C ZINC000082800573 643381956 /nfs/dbraw/zinc/38/19/56/643381956.db2.gz FRQBHTCMMAKIJY-WRWORJQWSA-N 1 0 224.308 0.654 10 0 BCAERO CCOC(=O)[C@@](C)([NH3+])C[C@H](C)n1cncn1 ZINC000082800466 643382424 /nfs/dbraw/zinc/38/24/24/643382424.db2.gz GDTNPLIUQLUQGZ-WPRPVWTQSA-N 1 0 226.280 0.510 10 0 BCAERO C[C@@H]1CN2C(=[NH+]CC[C@@H]2c2ccnn2C)N1 ZINC000235434677 643391835 /nfs/dbraw/zinc/39/18/35/643391835.db2.gz TZIXUPBQMREUQX-PSASIEDQSA-N 1 0 219.292 0.515 10 0 BCAERO O=C(C[NH2+]CC1CC1)N[C@H]1CCCOC1 ZINC000071023680 643411259 /nfs/dbraw/zinc/41/12/59/643411259.db2.gz FNAGDUMFSIPAOU-JTQLQIEISA-N 1 0 212.293 0.281 10 0 BCAERO c1nc2c([nH]1)[C@]1(CCN(C3CC3)C1)[NH2+]CC2 ZINC000400677841 643415944 /nfs/dbraw/zinc/41/59/44/643415944.db2.gz XJYFCMMZFANKOO-GFCCVEGCSA-N 1 0 218.304 0.619 10 0 BCAERO C[NH2+][C@@](Cn1ccnc1C)(C(N)=O)C1CC1 ZINC000068943096 643432233 /nfs/dbraw/zinc/43/22/33/643432233.db2.gz MDLSUWIAPANSEU-LLVKDONJSA-N 1 0 222.292 0.045 10 0 BCAERO C[NH2+][C@@](Cn1cc(C)cn1)(C(N)=O)C1CC1 ZINC000068943200 643433174 /nfs/dbraw/zinc/43/31/74/643433174.db2.gz LDKHLZPSVPCDRX-LLVKDONJSA-N 1 0 222.292 0.045 10 0 BCAERO Cc1ccn(C[C@@](C)([NH2+]C2CC2)C(N)=O)n1 ZINC000070686549 643466312 /nfs/dbraw/zinc/46/63/12/643466312.db2.gz BBSCBDJZQFNPBK-LLVKDONJSA-N 1 0 222.292 0.188 10 0 BCAERO C[C@](O)(COC1C[NH2+]C1)c1ccccc1 ZINC000235723265 643472332 /nfs/dbraw/zinc/47/23/32/643472332.db2.gz YKZWONHIXUVDNI-LBPRGKRZSA-N 1 0 207.273 0.883 10 0 BCAERO COCCN(C)C(=O)[C@@H]1CCCC[C@H]1C[NH3+] ZINC000084302055 643655115 /nfs/dbraw/zinc/65/51/15/643655115.db2.gz DSBDYNDQAXJUQO-WDEREUQCSA-N 1 0 228.336 0.856 10 0 BCAERO COC[C@@H](C)Cc1nc([C@@H](C)C[NH3+])no1 ZINC000087438124 643659206 /nfs/dbraw/zinc/65/92/06/643659206.db2.gz KEIBADFAXDMXCL-YUMQZZPRSA-N 1 0 213.281 0.957 10 0 BCAERO Nc1nc2n(n1)[C@H]([C@H]1CCC[NH2+]C1)CCN2 ZINC000236400006 643664586 /nfs/dbraw/zinc/66/45/86/643664586.db2.gz ZXXIHURLVCKEPX-YUMQZZPRSA-N 1 0 222.296 0.217 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@@H]1NS(=O)(=O)CC1CC1 ZINC000084888957 643676373 /nfs/dbraw/zinc/67/63/73/643676373.db2.gz VFZPWPDKJNVHSV-UWVGGRQHSA-N 1 0 232.349 0.443 10 0 BCAERO O=C1NCCC[C@@H]1[NH2+]C[C@H]1CCC=CO1 ZINC000050395430 643698099 /nfs/dbraw/zinc/69/80/99/643698099.db2.gz QNLBCCHYGZZYGH-ZJUUUORDSA-N 1 0 210.277 0.547 10 0 BCAERO CC(C)[C@H](C)NC(=O)C[C@H]1C[NH2+]CCO1 ZINC000085619020 643766001 /nfs/dbraw/zinc/76/60/01/643766001.db2.gz UANDCAIGPYJCQX-UWVGGRQHSA-N 1 0 214.309 0.526 10 0 BCAERO CC(=O)N[C@@H]1CCCN(C(=O)[C@@H](C)[C@@H](C)[NH3+])C1 ZINC000230212557 643767690 /nfs/dbraw/zinc/76/76/90/643767690.db2.gz TUBOACXGNIRFPP-IQJOONFLSA-N 1 0 241.335 0.097 10 0 BCAERO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)C1CCOCC1 ZINC000085727092 643790996 /nfs/dbraw/zinc/79/09/96/643790996.db2.gz MZWCXEKDOUVBSQ-KOLCDFICSA-N 1 0 226.320 0.670 10 0 BCAERO CCOCCC(=O)N[C@H]1CCC[NH2+][C@@H]1C ZINC000085727175 643791473 /nfs/dbraw/zinc/79/14/73/643791473.db2.gz JACKBDCKYIWILD-ZJUUUORDSA-N 1 0 214.309 0.670 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)N1CCOCC1 ZINC000085963027 643865828 /nfs/dbraw/zinc/86/58/28/643865828.db2.gz SPKJXNCSRVEGMN-VHSXEESVSA-N 1 0 227.308 0.156 10 0 BCAERO [NH3+]C[C@H]1CCC[C@H]1NC(=O)N1CCOCC1 ZINC000085963025 643866448 /nfs/dbraw/zinc/86/64/48/643866448.db2.gz SPKJXNCSRVEGMN-NXEZZACHSA-N 1 0 227.308 0.156 10 0 BCAERO CCCCNC(=O)[C@@H](C)[NH2+]C(C)(C)CO ZINC000035188347 643915113 /nfs/dbraw/zinc/91/51/13/643915113.db2.gz REKPKSVUDJHDTR-SECBINFHSA-N 1 0 216.325 0.652 10 0 BCAERO Cc1cc(C)n([C@H]2CC[C@]([NH3+])(C(N)=O)C2)n1 ZINC000086626682 644156117 /nfs/dbraw/zinc/15/61/17/644156117.db2.gz SGQYWXVPYYMZRP-GXSJLCMTSA-N 1 0 222.292 0.408 10 0 BCAERO Cc1ccn([C@H]2CCC[C@@]([NH3+])(C(N)=O)C2)n1 ZINC000086604736 644156314 /nfs/dbraw/zinc/15/63/14/644156314.db2.gz UQABNDMANWZMPO-ONGXEEELSA-N 1 0 222.292 0.489 10 0 BCAERO CCOC(=O)[C@@]1([NH3+])CC[C@@H](n2ccnc2)C1 ZINC000086626620 644156438 /nfs/dbraw/zinc/15/64/38/644156438.db2.gz QWSPGTLLRSYGDJ-MWLCHTKSSA-N 1 0 223.276 0.869 10 0 BCAERO Cc1cc(C)n([C@@H]2CC[C@]([NH3+])(C(N)=O)C2)n1 ZINC000086626679 644156611 /nfs/dbraw/zinc/15/66/11/644156611.db2.gz SGQYWXVPYYMZRP-MWLCHTKSSA-N 1 0 222.292 0.408 10 0 BCAERO C[NH2+][C@]1(C(N)=O)CC[C@@H](n2ccc(C)n2)C1 ZINC000086627199 644158370 /nfs/dbraw/zinc/15/83/70/644158370.db2.gz GPWVEVLRHRUHBT-MWLCHTKSSA-N 1 0 222.292 0.360 10 0 BCAERO CCCC(=O)NCC(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000193488716 644247834 /nfs/dbraw/zinc/24/78/34/644247834.db2.gz YYAXTYJBOJHGCF-VHSXEESVSA-N 1 0 241.335 0.159 10 0 BCAERO C1[NH2+]CC1O[C@@H]1CCO[C@]2(CCOC2)C1 ZINC000086905273 644275044 /nfs/dbraw/zinc/27/50/44/644275044.db2.gz WLKNQYVJPVBGGZ-MWLCHTKSSA-N 1 0 213.277 0.313 10 0 BCAERO [NH3+][C@H]1CCCN(C(=O)CC[C@H]2CCCO2)C1 ZINC000082263380 644363422 /nfs/dbraw/zinc/36/34/22/644363422.db2.gz CAECYGJQYCUCFS-WDEREUQCSA-N 1 0 226.320 0.895 10 0 BCAERO C[NH2+]CC(=O)N[C@@H](C)c1csc(C)n1 ZINC000083884081 644412016 /nfs/dbraw/zinc/41/20/16/644412016.db2.gz FXGHBVIRZNRMLC-LURJTMIESA-N 1 0 213.306 0.848 10 0 BCAERO COCCCNC(=O)[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000084301580 644423802 /nfs/dbraw/zinc/42/38/02/644423802.db2.gz ADDTWBQSPYWECR-GHMZBOCLSA-N 1 0 228.336 0.904 10 0 BCAERO CCOCC(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000085726974 644452484 /nfs/dbraw/zinc/45/24/84/644452484.db2.gz KRHKUTRXGHKYHB-IUCAKERBSA-N 1 0 200.282 0.280 10 0 BCAERO C[C@@H](O)CCNC(=O)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000087222363 644482877 /nfs/dbraw/zinc/48/28/77/644482877.db2.gz LCFCGYGZRJKGMX-MXWKQRLJSA-N 1 0 228.336 0.781 10 0 BCAERO CC(C)[C@H]([NH3+])Cc1nc(-c2cnn(C)c2)no1 ZINC000087427205 644494715 /nfs/dbraw/zinc/49/47/15/644494715.db2.gz OFNFALQPSFCETP-SECBINFHSA-N 1 0 235.291 0.996 10 0 BCAERO C[C@H](NC(=O)[C@H]1CCC[NH2+]C1)[C@H]1CCCO1 ZINC000088032202 644508627 /nfs/dbraw/zinc/50/86/27/644508627.db2.gz CZGHJLKXGWPKDJ-GARJFASQSA-N 1 0 226.320 0.670 10 0 BCAERO CCCS(=O)(=O)N[C@@H]1CC[NH2+]C[C@H]1F ZINC000685946148 644517984 /nfs/dbraw/zinc/51/79/84/644517984.db2.gz LISXYCCNOGGAAA-HTQZYQBOSA-N 1 0 224.301 0.016 10 0 BCAERO CCCNC(=O)N[C@@H]1CC[NH2+]C[C@H]1F ZINC000685946218 644518068 /nfs/dbraw/zinc/51/80/68/644518068.db2.gz MOEMAMAIJFKOJW-HTQZYQBOSA-N 1 0 203.261 0.396 10 0 BCAERO CCCS(=O)(=O)N[C@@H]1CC[NH2+]C[C@@H]1F ZINC000685946149 644518119 /nfs/dbraw/zinc/51/81/19/644518119.db2.gz LISXYCCNOGGAAA-JGVFFNPUSA-N 1 0 224.301 0.016 10 0 BCAERO NC(=O)OCc1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000685946165 644518167 /nfs/dbraw/zinc/51/81/67/644518167.db2.gz DJCFJBMNQZNDGV-MRVPVSSYSA-N 1 0 225.252 0.212 10 0 BCAERO CCOC(=O)CNC(=O)[C@@H]1CCCC[C@H]1C[NH3+] ZINC000089390337 644549127 /nfs/dbraw/zinc/54/91/27/644549127.db2.gz FOVCIPBJDCZNNE-VHSXEESVSA-N 1 0 242.319 0.431 10 0 BCAERO CC[C@@H](C)c1noc(-c2cn(CC[NH3+])nn2)n1 ZINC000089696346 644561513 /nfs/dbraw/zinc/56/15/13/644561513.db2.gz CFVZVXTXGDMVSU-SSDOTTSWSA-N 1 0 236.279 0.800 10 0 BCAERO [NH3+][C@@H]1CC[C@@H](C(=O)N2CCn3ccnc3C2)C1 ZINC000091545176 644629443 /nfs/dbraw/zinc/62/94/43/644629443.db2.gz NYLCBFZGSLFINQ-NXEZZACHSA-N 1 0 234.303 0.353 10 0 BCAERO CCC[C@H]1CN(C(=O)c2cnc(C)nc2)C[C@@H]1[NH3+] ZINC000091663917 644634782 /nfs/dbraw/zinc/63/47/82/644634782.db2.gz VUWYHDSOHQVJIZ-JQWIXIFHSA-N 1 0 248.330 0.984 10 0 BCAERO C[C@@H]1C(=O)NCCC[N@H+]1C[C@H]1CCC=CO1 ZINC000248883559 644704427 /nfs/dbraw/zinc/70/44/27/644704427.db2.gz LKBJRDALEMUDKN-GHMZBOCLSA-N 1 0 224.304 0.890 10 0 BCAERO CCN1CCN(C(=O)[C@H]2CCC[NH2+][C@H]2C)CC1 ZINC000094646928 644722308 /nfs/dbraw/zinc/72/23/08/644722308.db2.gz YVEACNMOXWLFBK-RYUDHWBXSA-N 1 0 239.363 0.539 10 0 BCAERO COC(=O)[C@H]1C[N@H+](Cc2ccnc(N)c2)C[C@@H]1C ZINC000095022158 644739975 /nfs/dbraw/zinc/73/99/75/644739975.db2.gz RRBKRRKREPFKES-ONGXEEELSA-N 1 0 249.314 0.905 10 0 BCAERO [NH3+][C@H](CC(=O)NC[C@H]1CCC[C@H]1O)C1CC1 ZINC000250648404 644773734 /nfs/dbraw/zinc/77/37/34/644773734.db2.gz LECBYMZFFLEZDV-GMTAPVOTSA-N 1 0 226.320 0.391 10 0 BCAERO COC[C@H](C)[N@@H+]1C[C@H](C)[C@H](C(=O)OC)C1 ZINC000251525077 644807247 /nfs/dbraw/zinc/80/72/47/644807247.db2.gz ACHOOYXPOUMPGX-LPEHRKFASA-N 1 0 215.293 0.762 10 0 BCAERO CC(C)OC[C@H](O)CN1CCC[C@H](C)[C@H]1C[NH3+] ZINC000252129094 644837355 /nfs/dbraw/zinc/83/73/55/644837355.db2.gz KMQZFELZPCJJOS-YNEHKIRRSA-N 1 0 244.379 0.832 10 0 BCAERO CCn1cc([C@H]2CC[NH2+][C@H](CN)C2)cn1 ZINC000757242835 644865289 /nfs/dbraw/zinc/86/52/89/644865289.db2.gz YWXXZIQFXJINRD-ONGXEEELSA-N 1 0 208.309 0.697 10 0 BCAERO C[C@@H]1C[C@H]([C@H]2CC[C@H](C(=O)[O-])[NH2+]C2)CC[NH2+]1 ZINC000757242435 644865804 /nfs/dbraw/zinc/86/58/04/644865804.db2.gz YMXSIUQDDDHVOG-CHWFTXMASA-N 1 0 226.320 0.827 10 0 BCAERO CCN(CC)C(=O)C[NH2+]C[C@H](O)C(C)(C)C ZINC000304227195 644879081 /nfs/dbraw/zinc/87/90/81/644879081.db2.gz JMSHENCHROMCTO-JTQLQIEISA-N 1 0 230.352 0.851 10 0 BCAERO C([C@H]1COCCO1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000252694085 644880221 /nfs/dbraw/zinc/88/02/21/644880221.db2.gz VZRUQCMYHFHODB-RYUDHWBXSA-N 1 0 226.320 0.182 10 0 BCAERO [NH3+][C@H](CC1CC1)C(=O)N[C@@H]1CCC[C@@H](O)C1 ZINC000304386129 644898967 /nfs/dbraw/zinc/89/89/67/644898967.db2.gz RRYRCTMKGNRJGW-GMTAPVOTSA-N 1 0 226.320 0.534 10 0 BCAERO [NH3+][C@H](CC1CC1)C(=O)NC[C@@H](O)C(F)(F)F ZINC000304389147 644901160 /nfs/dbraw/zinc/90/11/60/644901160.db2.gz SKTJARNRONLYKA-RNFRBKRXSA-N 1 0 240.225 0.153 10 0 BCAERO CC[C@@H](CO)[N@@H+]1CCC[C@H](NC(C)=O)C1 ZINC000929288153 646062095 /nfs/dbraw/zinc/06/20/95/646062095.db2.gz ZDQLWRDWKVVWKI-QWRGUYRKSA-N 1 0 214.309 0.358 10 0 BCAERO COC(=O)/C(C)=C\C[NH2+][C@@H]1CCO[C@@H]1C ZINC000308773253 711531709 /nfs/dbraw/zinc/53/17/09/711531709.db2.gz GUCMGOFFXXTXNH-QPGUZKIZSA-N 1 0 213.277 0.873 10 0 BCAERO [NH3+]C[C@@H]1CCCN1C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000724558214 711590037 /nfs/dbraw/zinc/59/00/37/711590037.db2.gz NZONDGCGNUWXGM-RHYQMDGZSA-N 1 0 226.320 0.213 10 0 BCAERO COC[C@H](C[N@@H+]1C[C@@H](O)C[C@@H]1CO)C(C)C ZINC000721986661 711695995 /nfs/dbraw/zinc/69/59/95/711695995.db2.gz YLVZBJDWCCRKNR-TUAOUCFPSA-N 1 0 231.336 0.333 10 0 BCAERO CO[C@@H]1CCC[C@@H]1[NH2+]CCn1cncn1 ZINC000379802365 711811483 /nfs/dbraw/zinc/81/14/83/711811483.db2.gz MPZMPGHUNOUWRM-VHSXEESVSA-N 1 0 210.281 0.435 10 0 BCAERO CC(C)[C@@H]([NH3+])CC(=O)NC[C@H](O)C(F)(F)F ZINC000225810130 711829577 /nfs/dbraw/zinc/82/95/77/711829577.db2.gz BFEPAGXRUDGSNF-BQBZGAKWSA-N 1 0 242.241 0.399 10 0 BCAERO CO[C@H]1C[C@@H](Cn2cc(C(C)(C)[NH3+])nn2)C1 ZINC000721997151 711863880 /nfs/dbraw/zinc/86/38/80/711863880.db2.gz AIIRUYPVPCPDGN-DTORHVGOSA-N 1 0 224.308 0.897 10 0 BCAERO COCCC1(C(=O)N(C)OC)CC[NH2+]CC1 ZINC000700088794 711985832 /nfs/dbraw/zinc/98/58/32/711985832.db2.gz YHALUXBPCWYLKK-UHFFFAOYSA-N 1 0 230.308 0.413 10 0 BCAERO CSCC[C@H](C)NC(=O)[C@@H]1C[NH2+]CCOC1 ZINC000700497687 711995510 /nfs/dbraw/zinc/99/55/10/711995510.db2.gz VQHADXXWOYATGK-VHSXEESVSA-N 1 0 246.376 0.480 10 0 BCAERO CC[C@@H](CO)[NH2+]Cc1nc(C)cc(=O)[nH]1 ZINC000700468123 711993481 /nfs/dbraw/zinc/99/34/81/711993481.db2.gz KUERFGKJPPUFOR-QMMMGPOBSA-N 1 0 211.265 0.351 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)NCc1ncccn1 ZINC000702326146 712047148 /nfs/dbraw/zinc/04/71/48/712047148.db2.gz OGGUXTYTGAIQAY-MRVPVSSYSA-N 1 0 208.265 0.220 10 0 BCAERO CC(C)[C@@H]([NH3+])CC(=O)NCc1ncccn1 ZINC000702335537 712047897 /nfs/dbraw/zinc/04/78/97/712047897.db2.gz DEWFDZXZGJMNLS-VIFPVBQESA-N 1 0 222.292 0.466 10 0 BCAERO C[C@H](NCc1ncccn1)[C@@H]1CC[NH2+]C1 ZINC000702346657 712045682 /nfs/dbraw/zinc/04/56/82/712045682.db2.gz RRRONIUHRFMJAN-VHSXEESVSA-N 1 0 206.293 0.564 10 0 BCAERO CSC1CC([NH2+][C@H]2CCOC[C@@H]2O)C1 ZINC000706876623 712157676 /nfs/dbraw/zinc/15/76/76/712157676.db2.gz KGXWCZFVAKQFOU-QLEHZGMVSA-N 1 0 217.334 0.620 10 0 BCAERO CCC[C@](C)(NC(=O)C1CC([NH3+])C1)C(=O)OC ZINC000707384273 712170343 /nfs/dbraw/zinc/17/03/43/712170343.db2.gz TZTSCDVEEWDTDG-KWPJZBAWSA-N 1 0 242.319 0.572 10 0 BCAERO C[C@@H]1C[N@H+](Cc2ccc(N)nc2)C[C@H]1CO ZINC000708139584 712183195 /nfs/dbraw/zinc/18/31/95/712183195.db2.gz DFYXBXGENOHXMD-KOLCDFICSA-N 1 0 221.304 0.724 10 0 BCAERO C[C@@H]1CN(C(=O)N[C@@H]2CCOC2)C[C@H]1C[NH3+] ZINC000708214688 712184284 /nfs/dbraw/zinc/18/42/84/712184284.db2.gz FLNPPRGQLFZRTH-OPRDCNLKSA-N 1 0 227.308 0.012 10 0 BCAERO CC(C)N(C)S(=O)(=O)N1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000708830105 712200318 /nfs/dbraw/zinc/20/03/18/712200318.db2.gz LSLOWPPDDGLWJF-UWVGGRQHSA-N 1 0 249.380 0.098 10 0 BCAERO COC(=O)/C(C)=C/C[N@@H+]1C[C@@H](C)[C@H](CO)C1 ZINC000708809248 712199305 /nfs/dbraw/zinc/19/93/05/712199305.db2.gz RJSIFDSLYYMJNY-BDMRALOESA-N 1 0 227.304 0.666 10 0 BCAERO Cc1ccnc(N2C[C@H](C)[C@H](C[NH3+])C2)n1 ZINC000708874468 712201869 /nfs/dbraw/zinc/20/18/69/712201869.db2.gz JHRHAFCPNNPNHX-WCBMZHEXSA-N 1 0 206.293 0.816 10 0 BCAERO C[C@@H]1C[N@H+](C[C@@H](O)C[NH+]2CCCC2)C[C@H]1CO ZINC000708560367 712212479 /nfs/dbraw/zinc/21/24/79/712212479.db2.gz ZCQLPZFKSUEZHZ-AGIUHOORSA-N 1 0 242.363 0.003 10 0 BCAERO COC(=O)[C@@H]1C[N@H+](C[C@@H]2COCCO2)C[C@@H]1C ZINC000708558252 712212808 /nfs/dbraw/zinc/21/28/08/712212808.db2.gz ZUPCKZAFAXQWNK-HBNTYKKESA-N 1 0 243.303 0.143 10 0 BCAERO COC1CC(CN2CCC[C@H]([NH2+]CCO)C2)C1 ZINC000708585576 712214277 /nfs/dbraw/zinc/21/42/77/712214277.db2.gz GZCMQOIQYJULQR-CPCZMJQVSA-N 1 0 242.363 0.458 10 0 BCAERO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(c1cnccn1)C2 ZINC000709795966 712227297 /nfs/dbraw/zinc/22/72/97/712227297.db2.gz SSQWAKUJBRRCRM-GUBZILKMSA-N 1 0 204.277 0.793 10 0 BCAERO C[C@H]1COCCN1C(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000710952987 712267224 /nfs/dbraw/zinc/26/72/24/712267224.db2.gz VWTAWPJQJKOVOP-DCAQKATOSA-N 1 0 226.320 0.751 10 0 BCAERO C[C@H]1OCC[C@H]1[NH2+]CCC1OCCCO1 ZINC000378803925 712361657 /nfs/dbraw/zinc/36/16/57/712361657.db2.gz VVDPYSCTPNBDSE-NXEZZACHSA-N 1 0 215.293 0.907 10 0 BCAERO [NH3+]C[C@@H]1C[C@H](F)CN1Cc1ccccn1 ZINC000378791686 712361925 /nfs/dbraw/zinc/36/19/25/712361925.db2.gz NXIBVRQVWGYCJF-ONGXEEELSA-N 1 0 209.268 0.953 10 0 BCAERO O=C1C[C@@H](NC2CC[NH2+]CC2)CN1CC1CC1 ZINC000716794976 712384969 /nfs/dbraw/zinc/38/49/69/712384969.db2.gz PBDLWKZMQQIFOM-GFCCVEGCSA-N 1 0 237.347 0.339 10 0 BCAERO CC1(C)CC[C@H](C[N@@H+]2C[C@@H](O)C[C@@H]2CO)OC1 ZINC000713581913 712465414 /nfs/dbraw/zinc/46/54/14/712465414.db2.gz YBRPDPZHXVOASG-GRYCIOLGSA-N 1 0 243.347 0.619 10 0 BCAERO C=C/C=C\CCN1CCOC[C@]1(C[NH3+])CO ZINC000713754806 712470948 /nfs/dbraw/zinc/47/09/48/712470948.db2.gz KBYBERIKLBWIEE-MVZIDQBPSA-N 1 0 226.320 0.141 10 0 BCAERO CC(C)CN(C)C(=O)[C@@H]1CO[C@@H](C[NH3+])C1 ZINC000713874069 712473221 /nfs/dbraw/zinc/47/32/21/712473221.db2.gz RKPFBOUJMRFRPJ-VHSXEESVSA-N 1 0 214.309 0.465 10 0 BCAERO C[C@@H]1C[C@H](C)CN(C(=O)[C@H]2CO[C@@H](C[NH3+])C2)C1 ZINC000713923639 712473509 /nfs/dbraw/zinc/47/35/09/712473509.db2.gz DPSZUSMUMZUIJU-WRWGMCAJSA-N 1 0 240.347 0.855 10 0 BCAERO COCC1CC(NC(=O)C[C@@H]2CCC[NH2+]C2)C1 ZINC000713943940 712474046 /nfs/dbraw/zinc/47/40/46/712474046.db2.gz CTFLUHNVWTYQIM-UNXYVOJBSA-N 1 0 240.347 0.917 10 0 BCAERO COCC1CC(NC(=O)[C@H]2CC[NH2+][C@H]2C)C1 ZINC000713936051 712474242 /nfs/dbraw/zinc/47/42/42/712474242.db2.gz UBNOTCLLSLZRCG-PMUOWJKOSA-N 1 0 226.320 0.526 10 0 BCAERO COCCN1CC[C@@H]([NH2+]C2CC(COC)C2)C1 ZINC000713962647 712475197 /nfs/dbraw/zinc/47/51/97/712475197.db2.gz ZRHNHWDWLGTBTA-OTTFEQOBSA-N 1 0 242.363 0.722 10 0 BCAERO [NH3+]C1CC(CNC(=O)[C@@H]2CCCS2)C1 ZINC000715073843 712506254 /nfs/dbraw/zinc/50/62/54/712506254.db2.gz XMLZSMKYNJDAET-HACHORDNSA-N 1 0 214.334 0.736 10 0 BCAERO C[C@@H](O)[C@H](C)[NH2+]C[C@H]1COC(C)(C)O1 ZINC000715130179 712506800 /nfs/dbraw/zinc/50/68/00/712506800.db2.gz WBHRCJUAHLTZBB-YIZRAAEISA-N 1 0 203.282 0.497 10 0 BCAERO C[C@@H]1COCCN1C(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000715128503 712511305 /nfs/dbraw/zinc/51/13/05/712511305.db2.gz NDHVNZYXQLDSKH-CSMHCCOUSA-N 1 0 234.246 0.074 10 0 BCAERO Cc1cnn(CC[NH2+]C[C@H]2COC(C)(C)O2)c1 ZINC000715102619 712509052 /nfs/dbraw/zinc/50/90/52/712509052.db2.gz BERYXDAEIIWHMS-NSHDSACASA-N 1 0 239.319 0.933 10 0 BCAERO C[C@@H]1OCC[C@H]1NC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000715171656 712513308 /nfs/dbraw/zinc/51/33/08/712513308.db2.gz WLJSGOPYQBNOBT-HSNKUXOKSA-N 1 0 234.246 0.120 10 0 BCAERO CC(C)(C)[NH2+]CCC(=O)NC1CC(C(N)=O)C1 ZINC000716688397 712570405 /nfs/dbraw/zinc/57/04/05/712570405.db2.gz WZXHCTCMBDIRRN-UHFFFAOYSA-N 1 0 241.335 0.145 10 0 BCAERO NC(=O)C1CC([NH2+][C@@H]2CCCOCC2)C1 ZINC000716742384 712571952 /nfs/dbraw/zinc/57/19/52/712571952.db2.gz XJXLMEOVKRLLPY-HWOCKDDLSA-N 1 0 212.293 0.409 10 0 BCAERO C[C@@H]([NH2+]C1CC(C(N)=O)C1)c1ccccn1 ZINC000716754108 712572369 /nfs/dbraw/zinc/57/23/69/712572369.db2.gz FNKCYHJOVBPKIU-XNWIYYODSA-N 1 0 219.288 0.996 10 0 BCAERO CC[C@H]1C[C@H]([NH2+]C2CC(C(N)=O)C2)CCO1 ZINC000716769510 712572755 /nfs/dbraw/zinc/57/27/55/712572755.db2.gz JPQUOSBNMWEARK-DJRKXVOMSA-N 1 0 226.320 0.798 10 0 BCAERO CO[C@H]1CCC[C@H]([NH2+]C2CC(C(N)=O)C2)C1 ZINC000716768827 712572760 /nfs/dbraw/zinc/57/27/60/712572760.db2.gz FGQFLPJRZUKZQP-YIYTYNFBSA-N 1 0 226.320 0.798 10 0 BCAERO C[C@@H]1COCCN1C(=O)CC[NH2+]CC1CC1 ZINC000717218564 712640013 /nfs/dbraw/zinc/64/00/13/712640013.db2.gz VUSIXWBNXCAWRN-SNVBAGLBSA-N 1 0 226.320 0.623 10 0 BCAERO CCC[C@](C)([NH3+])C(=O)N1CCOC[C@H]1C ZINC000037481453 712648365 /nfs/dbraw/zinc/64/83/65/712648365.db2.gz ZHHCKVOHXSKIHU-KOLCDFICSA-N 1 0 214.309 0.751 10 0 BCAERO C[C@@H](O)[C@H](O)C[NH2+]CCc1ccccc1 ZINC000717418458 712657065 /nfs/dbraw/zinc/65/70/65/712657065.db2.gz FTUSBVLGVCSECR-ZYHUDNBSSA-N 1 0 209.289 0.560 10 0 BCAERO C[C@@H]([NH3+])CCNS(=O)(=O)c1ccns1 ZINC000717725514 712667368 /nfs/dbraw/zinc/66/73/68/712667368.db2.gz UDLCEKLONVISEK-ZCFIWIBFSA-N 1 0 235.334 0.159 10 0 BCAERO C[C@@H]1OCC[C@H]1NC(=O)[C@H]([NH3+])CC1CC1 ZINC000380040108 712684077 /nfs/dbraw/zinc/68/40/77/712684077.db2.gz UCPNBNIWSIEIKC-FXBDTBDDSA-N 1 0 212.293 0.407 10 0 BCAERO C[NH2+][C@@H](C)CNC(=O)C(=O)C(C)(C)C ZINC000380074275 712685005 /nfs/dbraw/zinc/68/50/05/712685005.db2.gz ODJLZTRUPPIEIM-ZETCQYMHSA-N 1 0 200.282 0.326 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N(C)CC(=O)N(CC)CC ZINC000037818076 712764943 /nfs/dbraw/zinc/76/49/43/712764943.db2.gz OPQPKPVTHNLXBF-JTQLQIEISA-N 1 0 243.351 0.441 10 0 BCAERO CC[C@@H](CO)[NH2+]C[C@H](O)COC(C)(C)C ZINC000037851449 712775502 /nfs/dbraw/zinc/77/55/02/712775502.db2.gz IODAXNYSGFVWDJ-UWVGGRQHSA-N 1 0 219.325 0.523 10 0 BCAERO CC(C)OC[C@@H](O)C[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000037889856 712781353 /nfs/dbraw/zinc/78/13/53/712781353.db2.gz UYPZZEDKLOIGMM-SRVKXCTJSA-N 1 0 231.336 0.929 10 0 BCAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]CCc1ccns1 ZINC000719875022 712825245 /nfs/dbraw/zinc/82/52/45/712825245.db2.gz WGGWAQKMTUVGKT-WPRPVWTQSA-N 1 0 239.344 0.942 10 0 BCAERO OC[C@H]1C[C@H](O)C[N@@H+]1CCc1ccns1 ZINC000719881674 712825946 /nfs/dbraw/zinc/82/59/46/712825946.db2.gz WLFSENYXNUUZFE-BDAKNGLRSA-N 1 0 228.317 0.113 10 0 BCAERO N#Cc1cnc(NC[C@H]2CC[C@@H]([NH3+])C2)cn1 ZINC000381058843 710600403 /nfs/dbraw/zinc/60/04/03/710600403.db2.gz KHLWQKVEUKEVNY-DTWKUNHWSA-N 1 0 217.276 0.888 10 0 BCAERO CC(C)(C[NH3+])CC(=O)N[C@@H]1CCC[C@@H](O)C1 ZINC000721213960 712898945 /nfs/dbraw/zinc/89/89/45/712898945.db2.gz IYVSLQSZVDDKMW-NXEZZACHSA-N 1 0 228.336 0.781 10 0 BCAERO Cc1nnc(N[C@@H]2C[NH2+]C[C@H]2C)nc1C ZINC000721902246 710689557 /nfs/dbraw/zinc/68/95/57/710689557.db2.gz YSWBKFFKFRAGDL-HZGVNTEJSA-N 1 0 207.281 0.508 10 0 BCAERO CN(C)Cc1csc(CN[C@@H]2CC[NH2+]C2)n1 ZINC000722378681 710712550 /nfs/dbraw/zinc/71/25/50/710712550.db2.gz LYTZYVFMAZEZPD-SECBINFHSA-N 1 0 240.376 0.656 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1CC(=O)N(C)C[C@H]1CCCO1 ZINC000722512153 710714067 /nfs/dbraw/zinc/71/40/67/710714067.db2.gz KXRMARGBVKSGKD-IJLUTSLNSA-N 1 0 240.347 0.869 10 0 BCAERO O=C(n1ccnc1)N1CC[NH+]2CCC1CC2 ZINC000722794864 710720588 /nfs/dbraw/zinc/72/05/88/710720588.db2.gz JCIOXKGEFXJUHP-UHFFFAOYSA-N 1 0 220.276 0.631 10 0 BCAERO C[C@@H]1C[C@H]1[NH2+]Cc1cnc2n1CCOC2 ZINC000722846441 710722177 /nfs/dbraw/zinc/72/21/77/710722177.db2.gz ZIZBJQFUBAVRKA-PSASIEDQSA-N 1 0 207.277 0.911 10 0 BCAERO CN(Cc1c[nH]cn1)C[C@@H]1CC[N@H+](C)C1 ZINC000724773359 710746935 /nfs/dbraw/zinc/74/69/35/710746935.db2.gz LJYGSZUMPLXBDY-SNVBAGLBSA-N 1 0 208.309 0.793 10 0 BCAERO OCC[C@H]1CC[N@H+](CCO[C@H]2CCOC2)C1 ZINC000724978753 710753679 /nfs/dbraw/zinc/75/36/79/710753679.db2.gz VALSPCXZMDRTRK-NEPJUHHUSA-N 1 0 229.320 0.496 10 0 BCAERO COc1c(CN(C)C[C@H](C)[NH3+])c(C)nn1C ZINC000380779952 712903033 /nfs/dbraw/zinc/90/30/33/712903033.db2.gz BQTKZYSTRVPCMW-QMMMGPOBSA-N 1 0 226.324 0.516 10 0 BCAERO CC[C@H](C)[C@H](C[NH2+]CCn1cncn1)OC ZINC000381269989 710614474 /nfs/dbraw/zinc/61/44/74/710614474.db2.gz HMIMJNQCKDXOCC-QWRGUYRKSA-N 1 0 226.324 0.929 10 0 BCAERO C[C@@H]1C[N@H+](C[C@@H]2C[C@H]3COC[C@@H]3O2)C[C@H]1CO ZINC000724621746 710743664 /nfs/dbraw/zinc/74/36/64/710743664.db2.gz XJHQKHULGFOXDA-MOLYVOAJSA-N 1 0 241.331 0.351 10 0 BCAERO [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N[C@@H]2CCC[C@H](O)C2)C1 ZINC000713227298 711453019 /nfs/dbraw/zinc/45/30/19/711453019.db2.gz VKPDCZBMCBFFSX-FTEPDLOASA-N 1 0 238.331 0.534 10 0 BCAERO CN1C[C@H](C[NH2+]C2CCC(C)(O)CC2)CC1=O ZINC000722748615 711470235 /nfs/dbraw/zinc/47/02/35/711470235.db2.gz HPVAWUKIEOGLOG-ZBOXLXRLSA-N 1 0 240.347 0.748 10 0 BCAERO CC[C@@H]1C[C@H]1CN1CCOC[C@@]1(C[NH3+])CO ZINC000723112241 711504516 /nfs/dbraw/zinc/50/45/16/711504516.db2.gz HZMWKHKENZFBHW-GRYCIOLGSA-N 1 0 228.336 0.055 10 0 BCAERO CC[C@@H]1C[C@H]1C[N@@H+]1CCC[C@@](O)(C(N)=O)C1 ZINC000723121717 711505932 /nfs/dbraw/zinc/50/59/32/711505932.db2.gz AQPXKZFSYYNBFB-SCVCMEIPSA-N 1 0 226.320 0.345 10 0 BCAERO C[C@H]1[C@H]([NH3+])CCN1C(=O)c1cccn2nccc12 ZINC000723498146 711513510 /nfs/dbraw/zinc/51/35/10/711513510.db2.gz VSEXWUYTYCLORL-GXSJLCMTSA-N 1 0 244.298 0.896 10 0 BCAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)c1cccn2nccc12 ZINC000723498151 711513608 /nfs/dbraw/zinc/51/36/08/711513608.db2.gz VSEXWUYTYCLORL-MWLCHTKSSA-N 1 0 244.298 0.896 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1CNc1ccnc(N(C)C)n1 ZINC000723789078 711537420 /nfs/dbraw/zinc/53/74/20/711537420.db2.gz MNDDLTCOUHYKMB-ZJUUUORDSA-N 1 0 235.335 0.810 10 0 BCAERO Cc1cn(C)nc1CN1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000723980227 711550802 /nfs/dbraw/zinc/55/08/02/711550802.db2.gz HRKZNLBJAPRAFB-KOLCDFICSA-N 1 0 222.336 0.755 10 0 BCAERO Cc1cn(C)nc1C[N@@H+]1C[C@@H](C)C[C@H](O)C1 ZINC000724008868 711554586 /nfs/dbraw/zinc/55/45/86/711554586.db2.gz BPYYDUQLQJFOMG-ONGXEEELSA-N 1 0 223.320 0.931 10 0 BCAERO C[C@@H]1C[C@H]([NH2+]C2CC(C(N)=O)C2)C[C@H](C)O1 ZINC000724259037 711572692 /nfs/dbraw/zinc/57/26/92/711572692.db2.gz JEHAGFMUHXMYMJ-GEJFGVITSA-N 1 0 226.320 0.796 10 0 BCAERO CC(C)(C)[C@H](O)C[NH2+]C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000724622554 711600699 /nfs/dbraw/zinc/60/06/99/711600699.db2.gz LLTAEGSPJTXMHA-NOOOWODRSA-N 1 0 243.347 0.787 10 0 BCAERO COC[C@H](C)[NH2+]C[C@@H]1C[C@H]2COC[C@H]2O1 ZINC000724656148 711606409 /nfs/dbraw/zinc/60/64/09/711606409.db2.gz BKZIWCHFBNUDKV-XWLWVQCSSA-N 1 0 215.293 0.415 10 0 BCAERO C[C@@H]1C[N@H+](CCO[C@@H]2CCOC2)C[C@H]1CO ZINC000724995019 711641745 /nfs/dbraw/zinc/64/17/45/711641745.db2.gz NJKBIMNDRGJZLW-GRYCIOLGSA-N 1 0 229.320 0.352 10 0 BCAERO Cc1cnc(N(C)C2(C[NH3+])CCOCC2)nc1 ZINC000725024850 711643686 /nfs/dbraw/zinc/64/36/86/711643686.db2.gz VMKLMWXTIPSTAX-UHFFFAOYSA-N 1 0 236.319 0.729 10 0 BCAERO CN(c1ncc(F)cn1)C1(C[NH3+])CCOCC1 ZINC000725022897 711643687 /nfs/dbraw/zinc/64/36/87/711643687.db2.gz PLTHJFWQZXDIMQ-UHFFFAOYSA-N 1 0 240.282 0.560 10 0 BCAERO COC1CC([NH2+][C@H](C)c2ccc(=O)[nH]n2)C1 ZINC000309667328 711661849 /nfs/dbraw/zinc/66/18/49/711661849.db2.gz USOUOAFLQJUFRH-AFPNSQJFSA-N 1 0 223.276 0.598 10 0 BCAERO C([C@H]1CCCO1)N1CCC[C@@]12CC[NH2+]C2 ZINC000257680827 711726507 /nfs/dbraw/zinc/72/65/07/711726507.db2.gz KYTRJBOCNVUZID-NEPJUHHUSA-N 1 0 210.321 0.993 10 0 BCAERO C[C@H](N[C@H]1C[N@H+](C)C[C@@H]1C)c1cn(C)nn1 ZINC000722255112 711731710 /nfs/dbraw/zinc/73/17/10/711731710.db2.gz XPHCYJNQNXGJDD-GUBZILKMSA-N 1 0 223.324 0.416 10 0 BCAERO C(N[C@H]1CC[NH2+]C1)[C@H]1CC[C@H](C2CC2)O1 ZINC000722311407 711734304 /nfs/dbraw/zinc/73/43/04/711734304.db2.gz DAMZCVYKMYBAJU-QJPTWQEYSA-N 1 0 210.321 0.896 10 0 BCAERO Cn1cc(CCC[NH2+]CCn2cncn2)cn1 ZINC000314419417 711739431 /nfs/dbraw/zinc/73/94/31/711739431.db2.gz XPUWUINKKLHQPM-UHFFFAOYSA-N 1 0 234.307 0.234 10 0 BCAERO CCN1CCC[C@H]([NH2+]CC(C)(C)O)C1=O ZINC000722350380 711743633 /nfs/dbraw/zinc/74/36/33/711743633.db2.gz WSCJVZXWAMJZGD-VIFPVBQESA-N 1 0 214.309 0.358 10 0 BCAERO c1ncn(Cc2nc(C[C@H]3CCC[NH2+]C3)no2)n1 ZINC000225429579 711756563 /nfs/dbraw/zinc/75/65/63/711756563.db2.gz NWTBHBLCVRVKCA-SECBINFHSA-N 1 0 248.290 0.252 10 0 BCAERO C[C@H](C[C@@H]1CCC(=O)N1)[NH2+][C@H]1CCC[C@H](O)C1 ZINC000310382443 711766868 /nfs/dbraw/zinc/76/68/68/711766868.db2.gz BPULYMMKAQCLOD-RHYQMDGZSA-N 1 0 240.347 0.937 10 0 BCAERO CC(C)(O)[C@@H]1CC[N@H+](CC2(O)CCC2)C1 ZINC000721778270 711769460 /nfs/dbraw/zinc/76/94/60/711769460.db2.gz YXTURUUGJFCXIV-SNVBAGLBSA-N 1 0 213.321 0.994 10 0 BCAERO COC[C@@H](Cn1cc(C[NH3+])nn1)C(C)C ZINC000721797458 711769851 /nfs/dbraw/zinc/76/98/51/711769851.db2.gz QDTJRLDSIAHPLX-SECBINFHSA-N 1 0 212.297 0.655 10 0 BCAERO CC(C)(O)[C@@H]1CC[N@H+](C[C@H]2CNC(=O)O2)C1 ZINC000721797529 711769936 /nfs/dbraw/zinc/76/99/36/711769936.db2.gz FQTFXMLOPPYXHT-RKDXNWHRSA-N 1 0 228.292 0.188 10 0 BCAERO CC(C)(O)C[N@@H+]1CC[C@H](C(C)(C)O)C1 ZINC000721839883 711780229 /nfs/dbraw/zinc/78/02/29/711780229.db2.gz STIOFXQQOBXIAB-VIFPVBQESA-N 1 0 201.310 0.850 10 0 BCAERO CC1(C)C[NH2+]C[C@@H]1Nc1ccnc(C(N)=O)c1 ZINC000721866645 711792440 /nfs/dbraw/zinc/79/24/40/711792440.db2.gz QEZUXPKGFVWMOI-JTQLQIEISA-N 1 0 234.303 0.012 10 0 BCAERO CC(C)C[C@@H](O)CNC(=O)C[C@H]1CCC[NH2+]C1 ZINC000226119632 711830155 /nfs/dbraw/zinc/83/01/55/711830155.db2.gz ZSZLSYBCIVGSHD-VXGBXAGGSA-N 1 0 242.363 0.899 10 0 BCAERO C[C@@H]1OCC[C@H]1NC(=O)C[C@@H]([NH3+])C1CC1 ZINC000226457758 711831152 /nfs/dbraw/zinc/83/11/52/711831152.db2.gz MYZVALYCETWZQA-FXBDTBDDSA-N 1 0 212.293 0.407 10 0 BCAERO COC(=O)[C@@H]1C[N@H+](C[C@@H](C)O)C[C@@H]1C ZINC000227823924 711833050 /nfs/dbraw/zinc/83/30/50/711833050.db2.gz NARGCSMOFHNIGA-DJLDLDEBSA-N 1 0 201.266 0.108 10 0 BCAERO C[NH2+][C@H](C)C(=O)N[C@@H](C)CCSC ZINC000228944533 711836985 /nfs/dbraw/zinc/83/69/85/711836985.db2.gz JCFJUMHDKMLTAC-JGVFFNPUSA-N 1 0 204.339 0.852 10 0 BCAERO CO[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCOC[C@H]1O ZINC000706957518 711930434 /nfs/dbraw/zinc/93/04/34/711930434.db2.gz LIBXMZXUKNMYEK-UKKRHICBSA-N 1 0 215.293 0.293 10 0 BCAERO CC1(c2noc([C@H]3C[NH2+]CCOC3)n2)CC1 ZINC000700377299 711990424 /nfs/dbraw/zinc/99/04/24/711990424.db2.gz LGJFWRSSDLELID-QMMMGPOBSA-N 1 0 223.276 0.825 10 0 BCAERO CC(C)Cc1noc([C@@H]2C[NH2+]CCOC2)n1 ZINC000700381036 711990546 /nfs/dbraw/zinc/99/05/46/711990546.db2.gz JDIHRNKPOLYSFQ-SECBINFHSA-N 1 0 225.292 0.972 10 0 BCAERO COCCN(CCF)C(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000700407660 711992554 /nfs/dbraw/zinc/99/25/54/711992554.db2.gz IENGKYOAVZAUBX-QWRGUYRKSA-N 1 0 246.326 0.948 10 0 BCAERO C[C@@H]1CN(C(=O)[C@H]2C[NH2+]CCOC2)C(C)(C)C1 ZINC000700474450 711994576 /nfs/dbraw/zinc/99/45/76/711994576.db2.gz HRGXRHVGUBAJGY-QWRGUYRKSA-N 1 0 240.347 0.869 10 0 BCAERO Cc1cc(=O)[nH]c(C[NH2+][C@@H]2COC[C@@H]2C)n1 ZINC000700479468 711994620 /nfs/dbraw/zinc/99/46/20/711994620.db2.gz FQBKEXAZPKMBIS-IONNQARKSA-N 1 0 223.276 0.615 10 0 BCAERO C[NH2+]C[C@@H](C)NC(=O)[C@H]1Cc2ccccc2CO1 ZINC000700644627 712001049 /nfs/dbraw/zinc/00/10/49/712001049.db2.gz ZVSXJWGHXDHCPA-ZWNOBZJWSA-N 1 0 248.326 0.852 10 0 BCAERO C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CS(=O)(=O)C[C@H]2O)C1 ZINC000700604163 712001192 /nfs/dbraw/zinc/00/11/92/712001192.db2.gz RJXUWCNWEYAUNA-GWOFURMSSA-N 1 0 247.360 0.313 10 0 BCAERO C[C@@H](CC[NH3+])NC(=O)[C@H]1Cc2ccccc2CO1 ZINC000700658250 712001681 /nfs/dbraw/zinc/00/16/81/712001681.db2.gz XXTUGYKVAWCHPS-GXFFZTMASA-N 1 0 248.326 0.981 10 0 BCAERO C[C@@H]([NH3+])CCNC(=O)[C@@H]1Cc2ccccc2CO1 ZINC000700649921 712001695 /nfs/dbraw/zinc/00/16/95/712001695.db2.gz CXTGZIPABNUOJX-MFKMUULPSA-N 1 0 248.326 0.981 10 0 BCAERO C[NH2+][C@H](C)CNC(=O)[C@@H]1Cc2ccccc2CO1 ZINC000700658092 712001816 /nfs/dbraw/zinc/00/18/16/712001816.db2.gz WSBUOWKCTMNPHE-MFKMUULPSA-N 1 0 248.326 0.852 10 0 BCAERO C[C@@H](NC(=O)[C@H]1Cc2ccccc2CO1)[C@H](C)[NH3+] ZINC000700679620 712003591 /nfs/dbraw/zinc/00/35/91/712003591.db2.gz YRHSVNQAXZJEJZ-OPQQBVKSSA-N 1 0 248.326 0.980 10 0 BCAERO C[C@@H](C[NH3+])CNC(=O)[C@H]1Cc2ccccc2CO1 ZINC000700683403 712003663 /nfs/dbraw/zinc/00/36/63/712003663.db2.gz CATRDVRVPSYGNP-GXFFZTMASA-N 1 0 248.326 0.839 10 0 BCAERO Cc1nc(CC(=O)N2C[C@H]([NH3+])[C@@H](C)C2)cs1 ZINC000700776933 712006957 /nfs/dbraw/zinc/00/69/57/712006957.db2.gz SFADSAJOJVYZFY-XVKPBYJWSA-N 1 0 239.344 0.800 10 0 BCAERO O=C(NC[C@H]1CC[NH2+]C1)c1cccnc1F ZINC000701050363 712012998 /nfs/dbraw/zinc/01/29/98/712012998.db2.gz GPOLXOOSVFZCEY-QMMMGPOBSA-N 1 0 223.251 0.560 10 0 BCAERO C[NH2+][C@H](C)CNC(=O)c1cccnc1F ZINC000701051107 712013156 /nfs/dbraw/zinc/01/31/56/712013156.db2.gz MNUDXOWIQRANQS-SSDOTTSWSA-N 1 0 211.240 0.558 10 0 BCAERO C[C@H]1CN(C(=O)c2cccnc2F)C[C@H]1[NH3+] ZINC000701052791 712013738 /nfs/dbraw/zinc/01/37/38/712013738.db2.gz DRNHQZGVKNAESK-IONNQARKSA-N 1 0 223.251 0.640 10 0 BCAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)/C=C/c1cnn(C)c1 ZINC000701387384 712022261 /nfs/dbraw/zinc/02/22/61/712022261.db2.gz LTLADAAPESFFFX-SKNSLPIRSA-N 1 0 248.330 0.690 10 0 BCAERO Cc1cc(OCC(=O)NCC[C@@H](C)[NH3+])no1 ZINC000701386645 712022281 /nfs/dbraw/zinc/02/22/81/712022281.db2.gz LUPZXTQVDVGYNZ-SSDOTTSWSA-N 1 0 227.264 0.215 10 0 BCAERO c1nc(-c2noc([C@@]34CCC[C@@H]3C[NH2+]C4)n2)n[nH]1 ZINC000701692048 712028145 /nfs/dbraw/zinc/02/81/45/712028145.db2.gz HCGZATXTJKKNAM-RDDDGLTNSA-N 1 0 246.274 0.496 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)NCc1ncccn1 ZINC000702342941 712045501 /nfs/dbraw/zinc/04/55/01/712045501.db2.gz RMOHQAYBWLPLBR-UWVGGRQHSA-N 1 0 234.303 0.468 10 0 BCAERO CC(C)OC[C@H](O)CN1C[C@H]([NH3+])C[C@@H]1C ZINC000702653145 712058422 /nfs/dbraw/zinc/05/84/22/712058422.db2.gz GGYORGGTIVBHBO-HBNTYKKESA-N 1 0 216.325 0.194 10 0 BCAERO CCc1nnc(C[NH2+]CC2CC(O)C2)s1 ZINC000702709916 712059981 /nfs/dbraw/zinc/05/99/81/712059981.db2.gz DRHGWTSFLDNNIC-UHFFFAOYSA-N 1 0 227.333 0.961 10 0 BCAERO CO[C@@H]1C[NH2+][C@](C)(c2nc(N(C)C)no2)C1 ZINC000702737904 712060442 /nfs/dbraw/zinc/06/04/42/712060442.db2.gz QZPSKLZTLSNFEQ-XVKPBYJWSA-N 1 0 226.280 0.359 10 0 BCAERO OC[C@H]1C[N@H+](C[C@@H]2Cc3ccccc32)C[C@H]1CO ZINC000705370916 712130967 /nfs/dbraw/zinc/13/09/67/712130967.db2.gz RKOJVPBGCFKXJJ-MELADBBJSA-N 1 0 247.338 0.859 10 0 BCAERO COc1cc(C[NH2+]C(C)(C)CO)on1 ZINC000705603949 712133625 /nfs/dbraw/zinc/13/36/25/712133625.db2.gz LWRUBZJIKFHNSX-UHFFFAOYSA-N 1 0 200.238 0.544 10 0 BCAERO CC1(C)COC[C@@H]1[NH2+][C@H]1CCOC[C@@H]1O ZINC000706775868 712155345 /nfs/dbraw/zinc/15/53/45/712155345.db2.gz VLCGENPLNPWKJU-GUBZILKMSA-N 1 0 215.293 0.151 10 0 BCAERO O[C@H]1COCC[C@H]1[NH2+]Cc1cccc2c1OCC2 ZINC000706775038 712155390 /nfs/dbraw/zinc/15/53/90/712155390.db2.gz JDWWYQPDNIFMGQ-OLZOCXBDSA-N 1 0 249.310 0.861 10 0 BCAERO COc1cncc(C[NH2+][C@H]2CCOC[C@@H]2O)c1 ZINC000706775908 712155485 /nfs/dbraw/zinc/15/54/85/712155485.db2.gz YXCQEXUAOYLWKK-RYUDHWBXSA-N 1 0 238.287 0.330 10 0 BCAERO Cc1ncc(C[NH2+][C@H]2CCOC[C@H]2O)s1 ZINC000706790837 712155531 /nfs/dbraw/zinc/15/55/31/712155531.db2.gz JEVWBBBNWCFDJE-VHSXEESVSA-N 1 0 228.317 0.691 10 0 BCAERO CSC1CC([NH2+][C@@H]2CCCNC2=O)C1 ZINC000706841452 712157969 /nfs/dbraw/zinc/15/79/69/712157969.db2.gz BYXPWXOHJWHMCS-AMDVSUOASA-N 1 0 214.334 0.749 10 0 BCAERO Cc1nc(C[NH2+][C@H]2CCOC[C@@H]2O)sc1C ZINC000706968461 712160272 /nfs/dbraw/zinc/16/02/72/712160272.db2.gz JYYZMMMYMCRHPQ-UWVGGRQHSA-N 1 0 242.344 0.999 10 0 BCAERO CCN(CC(=O)OC)C(=O)C1CCC([NH3+])CC1 ZINC000707332641 712167480 /nfs/dbraw/zinc/16/74/80/712167480.db2.gz QYMWOQUGUKNQTH-UHFFFAOYSA-N 1 0 242.319 0.525 10 0 BCAERO CC[NH2+][C@H](C)C(=O)N1CCOC[C@H]1C ZINC000707930152 712173313 /nfs/dbraw/zinc/17/33/13/712173313.db2.gz YQWDQIVZPOPJDC-RKDXNWHRSA-N 1 0 200.282 0.232 10 0 BCAERO CC[NH2+][C@@H](C)C(=O)N1CCOC[C@@H]1C ZINC000707937591 712174256 /nfs/dbraw/zinc/17/42/56/712174256.db2.gz YQWDQIVZPOPJDC-IUCAKERBSA-N 1 0 200.282 0.232 10 0 BCAERO COC1(C(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)CCCC1 ZINC000708079698 712180901 /nfs/dbraw/zinc/18/09/01/712180901.db2.gz HXGPDKNCPXIMAY-GHMZBOCLSA-N 1 0 240.347 0.999 10 0 BCAERO C[C@@H]1CN(C(=O)N[C@@H]2CCOC2)C[C@@H]1C[NH3+] ZINC000708866244 712202111 /nfs/dbraw/zinc/20/21/11/712202111.db2.gz FLNPPRGQLFZRTH-KXUCPTDWSA-N 1 0 227.308 0.012 10 0 BCAERO CO[C@H]1CN(C(=O)C(C)(F)F)[C@](C)(C[NH3+])C1 ZINC000708956035 712204438 /nfs/dbraw/zinc/20/44/38/712204438.db2.gz UQTQVYSBECCIAE-APPZFPTMSA-N 1 0 236.262 0.606 10 0 BCAERO C[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C)c1cn(C)cn1 ZINC000709947378 712234291 /nfs/dbraw/zinc/23/42/91/712234291.db2.gz DGMUEDXQVRGKDM-LPEHRKFASA-N 1 0 236.319 0.738 10 0 BCAERO CC1(C)C[NH2+][C@H]1C(=O)NC[C@H](O)C(F)(F)F ZINC000710085465 712245162 /nfs/dbraw/zinc/24/51/62/712245162.db2.gz OUCAOFSOXWFGPB-WDSKDSINSA-N 1 0 240.225 0.024 10 0 BCAERO C[C@@H](CC1CCC1)[NH2+][C@@H]1CS(=O)(=O)C[C@H]1O ZINC000710248821 712249353 /nfs/dbraw/zinc/24/93/53/712249353.db2.gz OTHXLMVFVICIQB-JMJZKYOTSA-N 1 0 247.360 0.313 10 0 BCAERO C[C@H](O)CCNC(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000710923736 712265904 /nfs/dbraw/zinc/26/59/04/712265904.db2.gz WHEXBJFUQSYPQE-GUBZILKMSA-N 1 0 214.309 0.391 10 0 BCAERO COC1(OC)CC[C@H]1[NH2+]CC1CC(O)C1 ZINC000710961670 712269040 /nfs/dbraw/zinc/26/90/40/712269040.db2.gz PTYZFCILHAOFCX-UDNWOFFPSA-N 1 0 215.293 0.498 10 0 BCAERO C[C@@H]1OCC[C@H]1NC(=O)[C@H]1C[NH2+]CC1(C)C ZINC000711216611 712289624 /nfs/dbraw/zinc/28/96/24/712289624.db2.gz VVNRFURKARSCGO-IVZWLZJFSA-N 1 0 226.320 0.526 10 0 BCAERO CC1(C)C[NH2+]C[C@H]1C(=O)N[C@@H]1CCCOC1 ZINC000711216025 712289652 /nfs/dbraw/zinc/28/96/52/712289652.db2.gz QSRZVEHASOLINF-ZJUUUORDSA-N 1 0 226.320 0.527 10 0 BCAERO C[C@H]1COCCN1C(=O)[C@H]1C[NH2+]CC1(C)C ZINC000711237210 712290811 /nfs/dbraw/zinc/29/08/11/712290811.db2.gz KCPUJFQKCGXSKR-VHSXEESVSA-N 1 0 226.320 0.479 10 0 BCAERO CC(C)(C)[C@@H](O)CNC(=O)[C@H]1C[NH2+]CC1(C)C ZINC000711279091 712292671 /nfs/dbraw/zinc/29/26/71/712292671.db2.gz FOXBIGXPCFEHFO-ZJUUUORDSA-N 1 0 242.363 0.755 10 0 BCAERO CC1(C)C[NH2+]C[C@@H]1C(=O)NCC[C@H]1CCCO1 ZINC000711346732 712295153 /nfs/dbraw/zinc/29/51/53/712295153.db2.gz KDGFXLFTEAGDGP-GHMZBOCLSA-N 1 0 240.347 0.917 10 0 BCAERO COC(=O)[C@H]1C[N@H+](CCOC2CC2)C[C@@H]1C ZINC000711758097 712326018 /nfs/dbraw/zinc/32/60/18/712326018.db2.gz GXHAVBYHBQJQTL-ONGXEEELSA-N 1 0 227.304 0.906 10 0 BCAERO CC(C)OCCN1C[C@@H](F)C[C@H]1C[NH3+] ZINC000378668930 712357062 /nfs/dbraw/zinc/35/70/62/712357062.db2.gz ILOVJOGULHJBSG-UWVGGRQHSA-N 1 0 204.289 0.783 10 0 BCAERO CO[C@@H](C[NH2+]CCn1cncn1)C1CC1 ZINC000378742470 712359605 /nfs/dbraw/zinc/35/96/05/712359605.db2.gz JTDCCESPGDTSRM-JTQLQIEISA-N 1 0 210.281 0.293 10 0 BCAERO Cc1noc(CN2C[C@@H](F)C[C@H]2C[NH3+])n1 ZINC000378762208 712361199 /nfs/dbraw/zinc/36/11/99/712361199.db2.gz BLHSQRPJRIJFAL-YUMQZZPRSA-N 1 0 214.244 0.249 10 0 BCAERO [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)NCC[C@H]2CCCO2)C1 ZINC000713227286 712455681 /nfs/dbraw/zinc/45/56/81/712455681.db2.gz VJDVAEHRAVVRGC-SBFPOUOMSA-N 1 0 238.331 0.799 10 0 BCAERO C=C/C=C\CCN1CCOC[C@@]1(C[NH3+])CO ZINC000713754808 712471036 /nfs/dbraw/zinc/47/10/36/712471036.db2.gz KBYBERIKLBWIEE-VSQXVHSFSA-N 1 0 226.320 0.141 10 0 BCAERO CCCN(CC)C(=O)[C@@H]1CO[C@H](C[NH3+])C1 ZINC000713766628 712471712 /nfs/dbraw/zinc/47/17/12/712471712.db2.gz KFGNVQQPJKRNHA-UWVGGRQHSA-N 1 0 214.309 0.609 10 0 BCAERO Cc1cnc(NC(=O)[C@H]2CO[C@@H](C[NH3+])C2)s1 ZINC000713766555 712471897 /nfs/dbraw/zinc/47/18/97/712471897.db2.gz JAMCLATVCZJYHO-HTQZYQBOSA-N 1 0 241.316 0.754 10 0 BCAERO Cc1cccc(CNC(=O)[C@@H]2CO[C@@H](C[NH3+])C2)c1 ZINC000713765783 712472121 /nfs/dbraw/zinc/47/21/21/712472121.db2.gz COIMWQJTEYSMIL-QWHCGFSZSA-N 1 0 248.326 0.975 10 0 BCAERO Cc1ccccc1CNC(=O)[C@H]1CO[C@@H](C[NH3+])C1 ZINC000713777212 712472370 /nfs/dbraw/zinc/47/23/70/712472370.db2.gz YTVYURICIIQPSH-CHWSQXEVSA-N 1 0 248.326 0.975 10 0 BCAERO CC1CCN(C(=O)[C@@H]2CO[C@H](C[NH3+])C2)CC1 ZINC000713826247 712472846 /nfs/dbraw/zinc/47/28/46/712472846.db2.gz WIRJVGLTHDMYOE-QWRGUYRKSA-N 1 0 226.320 0.609 10 0 BCAERO CC(C)[C@H](C)NC(=O)[C@H]1CO[C@@H](C[NH3+])C1 ZINC000713870828 712473452 /nfs/dbraw/zinc/47/34/52/712473452.db2.gz IPUVQASWZZEGKE-IVZWLZJFSA-N 1 0 214.309 0.511 10 0 BCAERO COCC1CC(NC(=O)C[C@@H](C)[NH3+])C1 ZINC000713930560 712473712 /nfs/dbraw/zinc/47/37/12/712473712.db2.gz LBYLNGHHWHXTGP-AFPNSQJFSA-N 1 0 200.282 0.265 10 0 BCAERO COCC1CC(NC(=O)[C@@H]2CCCC[NH2+]2)C1 ZINC000713934609 712473840 /nfs/dbraw/zinc/47/38/40/712473840.db2.gz GCCCEUAFDDAPLJ-ILDUYXDCSA-N 1 0 226.320 0.670 10 0 BCAERO COCC1CC([NH2+][C@@H](C)C[C@@H]2COCCN2)C1 ZINC000713962547 712475137 /nfs/dbraw/zinc/47/51/37/712475137.db2.gz YSIPAXXAVMQKBK-YWPUVAFDSA-N 1 0 242.363 0.768 10 0 BCAERO C[N@H+](CC(C)(C)S(C)(=O)=O)[C@@H]1CCC[C@H]1O ZINC000713957196 712475142 /nfs/dbraw/zinc/47/51/42/712475142.db2.gz VYCCROWBTHUQFT-NXEZZACHSA-N 1 0 249.376 0.655 10 0 BCAERO Cc1nnc2c(NC[C@H]3C[C@@H]([NH3+])C3)nccn12 ZINC000715067389 712505812 /nfs/dbraw/zinc/50/58/12/712505812.db2.gz PFULPRUZTJDQNN-DTORHVGOSA-N 1 0 232.291 0.582 10 0 BCAERO C[C@H](NC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F)[C@H]1CCCO1 ZINC000715072847 712506237 /nfs/dbraw/zinc/50/62/37/712506237.db2.gz DJKNYEMFXFSVMA-MAUMQABQSA-N 1 0 248.273 0.510 10 0 BCAERO Cc1cc(C(=O)NCC2CC([NH3+])C2)[nH]n1 ZINC000715083622 712507538 /nfs/dbraw/zinc/50/75/38/712507538.db2.gz YEVCKVLQYDYNKJ-UHFFFAOYSA-N 1 0 208.265 0.185 10 0 BCAERO COc1cc(OC)nc(NC[C@H]2C[C@H]([NH3+])C2)n1 ZINC000715095612 712508479 /nfs/dbraw/zinc/50/84/79/712508479.db2.gz GZPOTVDWJDBERD-ZKCHVHJHSA-N 1 0 238.291 0.643 10 0 BCAERO Cn1cc(/C=C/C(=O)NCC2CC([NH3+])C2)cn1 ZINC000715097122 712508557 /nfs/dbraw/zinc/50/85/57/712508557.db2.gz PRRXWXIVRTWGLT-NSCUHMNNSA-N 1 0 234.303 0.287 10 0 BCAERO [NH3+][C@H]1C[C@H](CNc2ccc3nncn3n2)C1 ZINC000715145901 712512559 /nfs/dbraw/zinc/51/25/59/712512559.db2.gz IHBMOLIROBCUNF-ZKCHVHJHSA-N 1 0 218.264 0.274 10 0 BCAERO CO[C@H]1CN(Cc2n[nH]cc2C)[C@@](C)(C[NH3+])C1 ZINC000715447010 712519172 /nfs/dbraw/zinc/51/91/72/712519172.db2.gz PZRGYJWJJVTDQB-ZYHUDNBSSA-N 1 0 238.335 0.656 10 0 BCAERO COC(=O)[C@@H]1C[N@H+](Cc2[nH]ncc2C)C[C@@H]1C ZINC000715488651 712520766 /nfs/dbraw/zinc/52/07/66/712520766.db2.gz OVGBIYQGJMASOO-VHSXEESVSA-N 1 0 237.303 0.959 10 0 BCAERO C[C@H](NCC[C@H]1CCC[N@@H+]1C)c1cn(C)nn1 ZINC000715929721 712543528 /nfs/dbraw/zinc/54/35/28/712543528.db2.gz SMQFOPBPYBFDFE-WDEREUQCSA-N 1 0 237.351 0.950 10 0 BCAERO C[C@@H](NCC[C@H]1CCC[N@@H+]1C)c1cn(C)nn1 ZINC000715929699 712543736 /nfs/dbraw/zinc/54/37/36/712543736.db2.gz SMQFOPBPYBFDFE-GHMZBOCLSA-N 1 0 237.351 0.950 10 0 BCAERO COC[C@H]([NH3+])C(=O)NCCCCC1CC1 ZINC000716344543 712555789 /nfs/dbraw/zinc/55/57/89/712555789.db2.gz RXHZBKPIAPNTHV-JTQLQIEISA-N 1 0 214.309 0.657 10 0 BCAERO CC1(C)[C@H]([NH2+]C2CC(C(N)=O)C2)[C@H]2CCO[C@H]21 ZINC000716682696 712569867 /nfs/dbraw/zinc/56/98/67/712569867.db2.gz DDHMUXZDCMHYDN-CUZJRPPFSA-N 1 0 238.331 0.653 10 0 BCAERO NC(=O)C1CC(NC(=O)c2cccc(C[NH3+])c2)C1 ZINC000716704781 712570467 /nfs/dbraw/zinc/57/04/67/712570467.db2.gz GAWCCGWOVLGJFS-UHFFFAOYSA-N 1 0 247.298 0.139 10 0 BCAERO CO[C@@H]1CCC[C@H]1[NH2+]C1CC(C(N)=O)C1 ZINC000716700275 712570470 /nfs/dbraw/zinc/57/04/70/712570470.db2.gz YHJUBJSZXKBTMG-YDYPAMBWSA-N 1 0 212.293 0.407 10 0 BCAERO NC(=O)C1CC(NC(=O)[C@H]([NH3+])c2ccccc2)C1 ZINC000716688279 712570474 /nfs/dbraw/zinc/57/04/74/712570474.db2.gz VXOUBMJQKJDJAN-VQXHTEKXSA-N 1 0 247.298 0.067 10 0 BCAERO CO[C@@H]1C[C@H]([NH2+]C2CC(C(N)=O)C2)C12CCC2 ZINC000716699658 712570506 /nfs/dbraw/zinc/57/05/06/712570506.db2.gz TUSXXQPAXWQHKS-WFBLGPOFSA-N 1 0 238.331 0.798 10 0 BCAERO NC(=O)C1CC([NH2+]C2CCC(O)CC2)C1 ZINC000716739032 712571596 /nfs/dbraw/zinc/57/15/96/712571596.db2.gz AHUYCEDWGOZQEQ-UHFFFAOYSA-N 1 0 212.293 0.143 10 0 BCAERO NC(=O)C1CC([NH2+]Cc2cccnc2)C1 ZINC000716731727 712571676 /nfs/dbraw/zinc/57/16/76/712571676.db2.gz MZTJFFFZSZNOIG-UHFFFAOYSA-N 1 0 205.261 0.435 10 0 BCAERO C[C@H]([NH2+]C1CC(C(N)=O)C1)C1(Cl)CC1 ZINC000716733024 712571700 /nfs/dbraw/zinc/57/17/00/712571700.db2.gz WYFLJSNCQNMKBS-KKMMWDRVSA-N 1 0 216.712 1.000 10 0 BCAERO NC(=O)C1CC([NH2+]C[C@H](O)CC(F)(F)F)C1 ZINC000716744724 712572152 /nfs/dbraw/zinc/57/21/52/712572152.db2.gz GPFYSYNGUWRBBW-KPGICGJXSA-N 1 0 240.225 0.153 10 0 BCAERO C[C@H]([NH2+]C1CC(C(N)=O)C1)c1ccccn1 ZINC000716754106 712572476 /nfs/dbraw/zinc/57/24/76/712572476.db2.gz FNKCYHJOVBPKIU-IDKOKCKLSA-N 1 0 219.288 0.996 10 0 BCAERO O=C(CC[NH2+]CC1CC1)N[C@H]1CCC[C@H](O)C1 ZINC000717189295 712638383 /nfs/dbraw/zinc/63/83/83/712638383.db2.gz ZYBVYJSARAWWDS-RYUDHWBXSA-N 1 0 240.347 0.796 10 0 BCAERO O=C(CC[NH2+]CC1CC1)N[C@@H]1CCCOC1 ZINC000717241978 712641446 /nfs/dbraw/zinc/64/14/46/712641446.db2.gz FRFUNRDCSFOACF-LLVKDONJSA-N 1 0 226.320 0.671 10 0 BCAERO C[N@@H+]1CC[C@H]2CN(C(=O)c3cn[nH]c3)C[C@@H]2C1 ZINC000379992340 712645067 /nfs/dbraw/zinc/64/50/67/712645067.db2.gz UKDQFGUAUYEQAN-ONGXEEELSA-N 1 0 234.303 0.433 10 0 BCAERO CCn1c(C)nnc1C[NH2+]C(C)(C)CO ZINC000380004156 712651831 /nfs/dbraw/zinc/65/18/31/712651831.db2.gz OLTAFQGFZHWYGF-UHFFFAOYSA-N 1 0 212.297 0.467 10 0 BCAERO C[C@H](O)[C@@H](O)C[NH2+][C@H]1CCc2c1cccc2O ZINC000717389649 712653604 /nfs/dbraw/zinc/65/36/04/712653604.db2.gz YHGOCEVQMAPKDR-QWRKXWFKSA-N 1 0 237.299 0.711 10 0 BCAERO C[C@H](O)[C@H](O)C[NH2+][C@@H]1CCc2c1cccc2O ZINC000717389650 712653644 /nfs/dbraw/zinc/65/36/44/712653644.db2.gz YHGOCEVQMAPKDR-RLCGTCKNSA-N 1 0 237.299 0.711 10 0 BCAERO CC1(C)CO[C@H](CNC(=O)[C@H]2CC[NH2+]C2)C1 ZINC000717570713 712661146 /nfs/dbraw/zinc/66/11/46/712661146.db2.gz UQIXCLYQIWSURB-UWVGGRQHSA-N 1 0 226.320 0.527 10 0 BCAERO [NH3+]C[C@H]1CCC[C@H]1NC(=O)COC1CC1 ZINC000717662344 712663691 /nfs/dbraw/zinc/66/36/91/712663691.db2.gz AIBHVOOIDRLUGD-PSASIEDQSA-N 1 0 212.293 0.409 10 0 BCAERO CC(C)OCCC(=O)NCC1CC([NH3+])C1 ZINC000717682796 712664571 /nfs/dbraw/zinc/66/45/71/712664571.db2.gz JNWZGXRXUPMAFW-UHFFFAOYSA-N 1 0 214.309 0.655 10 0 BCAERO [NH3+][C@@H]1CCC[C@@H](C(=O)NC[C@@H]2CCC[C@H]2O)C1 ZINC000718021677 712736535 /nfs/dbraw/zinc/73/65/35/712736535.db2.gz SRYYGLUAFLGDLB-WRWGMCAJSA-N 1 0 240.347 0.781 10 0 BCAERO Cc1coc(C[NH2+]C2CC(C(N)=O)C2)c1 ZINC000718095966 712742811 /nfs/dbraw/zinc/74/28/11/712742811.db2.gz GKCXDLZAOHTEBD-UHFFFAOYSA-N 1 0 208.261 0.942 10 0 BCAERO C[C@@H]1CO[C@H](C(=O)N[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000718497449 712767008 /nfs/dbraw/zinc/76/70/08/712767008.db2.gz CHRQCRCRHUCNGH-ZDCRXTMVSA-N 1 0 226.320 0.655 10 0 BCAERO CC(C)COC[C@H](O)C[NH2+]C(C)(C)CO ZINC000037888183 712780988 /nfs/dbraw/zinc/78/09/88/712780988.db2.gz JCUBONWXRXZOSW-SNVBAGLBSA-N 1 0 219.325 0.380 10 0 BCAERO COC[C@@H]([NH3+])C(=O)NCCC(C)(C)COC ZINC000718946661 712789799 /nfs/dbraw/zinc/78/97/99/712789799.db2.gz PYMSFQPMIBQXCU-SECBINFHSA-N 1 0 232.324 0.139 10 0 BCAERO COC[C@H]([NH3+])C(=O)NCCC(C)(C)COC ZINC000718946665 712789915 /nfs/dbraw/zinc/78/99/15/712789915.db2.gz PYMSFQPMIBQXCU-VIFPVBQESA-N 1 0 232.324 0.139 10 0 BCAERO [NH3+]C[C@H]1CN(c2ccnc3ncccc23)CCO1 ZINC000718982770 712791628 /nfs/dbraw/zinc/79/16/28/712791628.db2.gz YCUACGJFFLBPFG-JTQLQIEISA-N 1 0 244.298 0.794 10 0 BCAERO C[C@@H]([NH2+]Cc1cnc2n1CCC2)[C@H](C)O ZINC000719123523 712798286 /nfs/dbraw/zinc/79/82/86/712798286.db2.gz QCHLWGDBIJZLMI-BDAKNGLRSA-N 1 0 209.293 0.688 10 0 BCAERO [NH3+][C@H]1CCCN(c2cncc3ncnn32)C1 ZINC000719272075 712802540 /nfs/dbraw/zinc/80/25/40/712802540.db2.gz SSJLMNJWDXUNNN-QMMMGPOBSA-N 1 0 218.264 0.052 10 0 BCAERO COC[C@H]([NH3+])C(=O)NCc1ncc(Cl)s1 ZINC000719448797 712808482 /nfs/dbraw/zinc/80/84/82/712808482.db2.gz WDKUHMFPCKWBTB-YFKPBYRVSA-N 1 0 249.723 0.386 10 0 BCAERO C[C@H](N[C@H]1CCC[NH2+]C1)c1cn(C)nn1 ZINC000720574177 712852916 /nfs/dbraw/zinc/85/29/16/712852916.db2.gz JKFKMIDMBSSBJG-IUCAKERBSA-N 1 0 209.297 0.218 10 0 BCAERO C[C@@H](N[C@@H]1CCC[NH2+]CC1)c1cn(C)nn1 ZINC000720583966 712854648 /nfs/dbraw/zinc/85/46/48/712854648.db2.gz NVOQIBXMISMZCO-NXEZZACHSA-N 1 0 223.324 0.608 10 0 BCAERO C[C@H](N[C@H]1C[C@@H]([NH3+])C12CCC2)c1cn(C)nn1 ZINC000720602109 712857610 /nfs/dbraw/zinc/85/76/10/712857610.db2.gz JPOGQSPNOBCBJP-GDPRMGEGSA-N 1 0 235.335 0.736 10 0 BCAERO C[NH2+]CCN(c1nnc(C)c(C)n1)C(C)C ZINC000720796958 712866423 /nfs/dbraw/zinc/86/64/23/712866423.db2.gz CABVLULOCQFHLF-UHFFFAOYSA-N 1 0 223.324 0.923 10 0 BCAERO [NH3+]Cc1cn(C[C@@H]2C[C@H]3CCC[C@H]3O2)nn1 ZINC000720865745 712871245 /nfs/dbraw/zinc/87/12/45/712871245.db2.gz BBZYFJRVNVJGIP-DVVUODLYSA-N 1 0 222.292 0.694 10 0 BCAERO COC(=O)CCN1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000720897945 712876644 /nfs/dbraw/zinc/87/66/44/712876644.db2.gz KZPRQGOGCBLIJC-RNFRBKRXSA-N 1 0 240.225 0.371 10 0 BCAERO O=C(N[C@@H]1CCC[C@H](O)C1)[C@@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC000721023742 712887123 /nfs/dbraw/zinc/88/71/23/712887123.db2.gz FSTVVFFMDONDMM-CSYMLDBXSA-N 1 0 238.331 0.262 10 0 BCAERO CN(C[C@H]1CCCO1)C(=O)[C@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC000721025955 712887290 /nfs/dbraw/zinc/88/72/90/712887290.db2.gz UMAMACMVVWTYNH-WYUUTHIRSA-N 1 0 238.331 0.479 10 0 BCAERO C[C@H](NC(=O)[C@@H]1[C@@H]2CC[NH2+]C[C@@H]21)[C@H]1CCCO1 ZINC000721023572 712887907 /nfs/dbraw/zinc/88/79/07/712887907.db2.gz CEWJZJWFQZIYPK-RNWYCLNJSA-N 1 0 238.331 0.526 10 0 BCAERO CCC[N@@H+]1CC[C@H](N)[C@@]12CN1CCC2CC1 ZINC000685953490 538897957 /nfs/dbraw/zinc/89/79/57/538897957.db2.gz HTVPHQJOTMNBKU-STQMWFEESA-N 1 0 223.364 0.894 10 0 BCAERO CN1CC[C@@H]([NH3+])C12C[C@H]1CC[C@@H](C2)S1(=O)=O ZINC000685954783 538899308 /nfs/dbraw/zinc/89/93/08/538899308.db2.gz OZUGLGKZDRDLLO-GZBOUJLJSA-N 1 0 244.360 0.128 10 0 BCAERO CC(C)N1CC[C@@H]([N@@H+]2CC[C@@H](CCO)C2)C1=O ZINC000336698228 187321043 /nfs/dbraw/zinc/32/10/43/187321043.db2.gz KIZZXLDEZVMKJS-NWDGAFQWSA-N 1 0 240.347 0.700 10 0 BCAERO CC[NH2+]C[C@H](C)c1n[nH]nc1C(=O)OCC ZINC000685955048 538899946 /nfs/dbraw/zinc/89/99/46/538899946.db2.gz ZKEPBZIUTLZMGF-ZETCQYMHSA-N 1 0 226.280 0.694 10 0 BCAERO CC[NH2+]CC[C@@H](CO)[C@@H]1CCS(=O)(=O)C1 ZINC000685963604 538910443 /nfs/dbraw/zinc/91/04/43/538910443.db2.gz UASIUXHOPNNDEL-VHSXEESVSA-N 1 0 235.349 0.029 10 0 BCAERO COCC[NH2+]CC[C@H](CO)[C@H]1CCCOC1 ZINC000685960791 538908218 /nfs/dbraw/zinc/90/82/18/538908218.db2.gz CLBSLSUOQRLYBV-NEPJUHHUSA-N 1 0 231.336 0.648 10 0 BCAERO COCC[NH2+]C[C@H]1C[C@]1(CO)C(C)C ZINC000685961390 538908414 /nfs/dbraw/zinc/90/84/14/538908414.db2.gz QZQKEZJDLKAVPF-MNOVXSKESA-N 1 0 201.310 0.877 10 0 BCAERO O=S1(=O)CC[C@@H]([C@@H](CO)CC[NH2+]C2CC2)C1 ZINC000685963446 538910160 /nfs/dbraw/zinc/91/01/60/538910160.db2.gz OORHLFSNROLSIF-NXEZZACHSA-N 1 0 247.360 0.172 10 0 BCAERO O=S1(=O)CC[C@H]([C@@H](CO)CC[NH2+]C2CC2)C1 ZINC000685963449 538910246 /nfs/dbraw/zinc/91/02/46/538910246.db2.gz OORHLFSNROLSIF-ZJUUUORDSA-N 1 0 247.360 0.172 10 0 BCAERO CC[C@]1(CO)CN(C(=O)OC(C)(C)C)CC[NH2+]1 ZINC000685952251 538896345 /nfs/dbraw/zinc/89/63/45/538896345.db2.gz BYNNAUBPRAMOQK-GFCCVEGCSA-N 1 0 244.335 0.968 10 0 BCAERO CC[NH2+]C[C@H](C)c1n[nH]nc1C(=O)OC ZINC000685952532 538896515 /nfs/dbraw/zinc/89/65/15/538896515.db2.gz AMBUEVZJUCSCNR-LURJTMIESA-N 1 0 212.253 0.304 10 0 BCAERO CC[NH2+]C[C@@H](C)c1n[nH]nc1C(=O)OC ZINC000685952545 538896582 /nfs/dbraw/zinc/89/65/82/538896582.db2.gz AMBUEVZJUCSCNR-ZCFIWIBFSA-N 1 0 212.253 0.304 10 0 BCAERO NC(=O)c1ccc(C[NH2+][C@@H]2C[C@H]2CO)cc1 ZINC000378683885 346807523 /nfs/dbraw/zinc/80/75/23/346807523.db2.gz ZSEYJUAIZCIPFS-WDEREUQCSA-N 1 0 220.272 0.256 10 0 BCAERO CN(C)c1ccc(NC(=O)[C@@H]2CC[NH2+]C2)cn1 ZINC000062113565 349438116 /nfs/dbraw/zinc/43/81/16/349438116.db2.gz LFVLNBXRDYKQET-SECBINFHSA-N 1 0 234.303 0.696 10 0 BCAERO Cc1cc(C)n2ncc(C(=O)N[C@@H](C)C[NH3+])c2n1 ZINC000104214241 177934378 /nfs/dbraw/zinc/93/43/78/177934378.db2.gz CDUMTXGFFVTNMS-QMMMGPOBSA-N 1 0 247.302 0.423 10 0 BCAERO Cc1ccc(O)c(CN2C[C@@H](C)[C@@H]([NH3+])C2)n1 ZINC000235329294 398139331 /nfs/dbraw/zinc/13/93/31/398139331.db2.gz PRCWMBQKJHCJSI-SCZZXKLOSA-N 1 0 221.304 0.875 10 0 BCAERO CC[NH2+]CC[C@@H](CO)[C@H]1COC(C)(C)O1 ZINC000685963924 538910746 /nfs/dbraw/zinc/91/07/46/538910746.db2.gz ZOEZRMUBFYLEFO-VHSXEESVSA-N 1 0 217.309 0.746 10 0 BCAERO Cc1n[nH]cc1C(=O)N(C)C[C@H]1CC[N@H+](C)C1 ZINC000070940957 398141609 /nfs/dbraw/zinc/14/16/09/398141609.db2.gz MXHWCUGORAQIMH-JTQLQIEISA-N 1 0 236.319 0.742 10 0 BCAERO Cn1cc([C@H]2CCCN2C(=O)[C@H]2C[C@@H]([NH3+])C2)cn1 ZINC000649322341 398144632 /nfs/dbraw/zinc/14/46/32/398144632.db2.gz NXLDHBDBLXOFBU-ADEWGFFLSA-N 1 0 248.330 0.821 10 0 BCAERO C[NH2+]CCCNc1ncncc1C(=O)OC ZINC000300973498 349486497 /nfs/dbraw/zinc/48/64/97/349486497.db2.gz XKIXCULCFBRLCS-UHFFFAOYSA-N 1 0 224.264 0.285 10 0 BCAERO CCC(CC)(CO)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000226694014 168326337 /nfs/dbraw/zinc/32/63/37/168326337.db2.gz ISWYRZVHDINRDZ-JTQLQIEISA-N 1 0 228.336 0.653 10 0 BCAERO CC(C)(C)n1ccnc(NCC[NH3+])c1=O ZINC000061761722 187322381 /nfs/dbraw/zinc/32/23/81/187322381.db2.gz JNLUYSHFJOCSED-UHFFFAOYSA-N 1 0 210.281 0.369 10 0 BCAERO CCOC(=O)[C@@](C)(O)C[NH2+][C@@H]1CCO[C@@H]1C ZINC000378707875 346812554 /nfs/dbraw/zinc/81/25/54/346812554.db2.gz QZRVUQNDJHQRFL-KKZNHRDASA-N 1 0 231.292 0.068 10 0 BCAERO CC(C)(C)NC(=O)C[N@@H+]1CC[C@@H](CCO)C1 ZINC000161581231 349475487 /nfs/dbraw/zinc/47/54/87/349475487.db2.gz NKUGZYMGUDWOML-JTQLQIEISA-N 1 0 228.336 0.605 10 0 BCAERO CC(C)OC[C@H](O)C[N@@H+]1CC[C@H](CCO)C1 ZINC000161624192 349477431 /nfs/dbraw/zinc/47/74/31/349477431.db2.gz UQXCTGYGCKYBOB-VXGBXAGGSA-N 1 0 231.336 0.477 10 0 BCAERO Cn1nnnc1NC[C@H]([NH3+])c1ccccc1 ZINC000062939430 349502556 /nfs/dbraw/zinc/50/25/56/349502556.db2.gz XJVGETYTOKJVJS-VIFPVBQESA-N 1 0 218.264 0.322 10 0 BCAERO C[NH+](C)[C@@H]1CCN(c2ccc(N)cn2)C1 ZINC000062965475 349502876 /nfs/dbraw/zinc/50/28/76/349502876.db2.gz YMTSCQAEHHZTLJ-SNVBAGLBSA-N 1 0 206.293 0.804 10 0 BCAERO Cc1cc(CNC(=O)[C@H]2CCC[NH2+]C2)no1 ZINC000044727110 178015436 /nfs/dbraw/zinc/01/54/36/178015436.db2.gz CUGCOQJKMSFSGS-VIFPVBQESA-N 1 0 223.276 0.599 10 0 BCAERO CC1(C[NH2+][C@@H]2CN3CC[C@H]2C3)OCCO1 ZINC000307396443 398158516 /nfs/dbraw/zinc/15/85/16/398158516.db2.gz OVJCNNFFDYVGJO-VHSXEESVSA-N 1 0 212.293 0.043 10 0 BCAERO Cc1cc(C[NH2+][C@H]2CCC(=O)N[C@H]2C)on1 ZINC000282202839 178038338 /nfs/dbraw/zinc/03/83/38/178038338.db2.gz CSKQYOTUGKZBGG-WPRPVWTQSA-N 1 0 223.276 0.740 10 0 BCAERO [NH3+][C@H](CC(F)F)C(=O)NCC[C@H]1CCCO1 ZINC000390489874 398175993 /nfs/dbraw/zinc/17/59/93/398175993.db2.gz PDUUUIUTNFDTFP-HTQZYQBOSA-N 1 0 236.262 0.654 10 0 BCAERO [NH3+][C@@H](CC(F)F)C(=O)NCC[C@@H]1CCCO1 ZINC000390489877 398176509 /nfs/dbraw/zinc/17/65/09/398176509.db2.gz PDUUUIUTNFDTFP-YUMQZZPRSA-N 1 0 236.262 0.654 10 0 BCAERO Cc1cc(C[C@H]2C[NH2+]CCN2)ccc1O ZINC000039105539 178058089 /nfs/dbraw/zinc/05/80/89/178058089.db2.gz CNMHWRVCDRUEDR-NSHDSACASA-N 1 0 206.289 0.805 10 0 BCAERO C[C@@H](O)CC[NH2+]C[C@@](C)(O)C(F)(F)F ZINC000379652263 398160589 /nfs/dbraw/zinc/16/05/89/398160589.db2.gz GLJMUOOTPARLME-RNFRBKRXSA-N 1 0 215.215 0.660 10 0 BCAERO NC(=O)c1ccc([C@H]2CCN(CC[NH3+])C2)cc1 ZINC000616612341 349513489 /nfs/dbraw/zinc/51/34/89/349513489.db2.gz NLZFZPYGXJFWPG-LBPRGKRZSA-N 1 0 233.315 0.534 10 0 BCAERO Cc1ccc(C(=O)N2CC[C@@H]([NH3+])[C@@H]2C)c(=O)[nH]1 ZINC000379745335 398164125 /nfs/dbraw/zinc/16/41/25/398164125.db2.gz SUIWSHNMNKODNP-WCBMZHEXSA-N 1 0 235.287 0.657 10 0 BCAERO Cc1ncoc1C(=O)N1CC[C@H]([NH3+])[C@H]1C ZINC000379777956 398165835 /nfs/dbraw/zinc/16/58/35/398165835.db2.gz DVDAZVIYCFKZHR-SFYZADRCSA-N 1 0 209.249 0.545 10 0 BCAERO CN(Cc1ccncc1)C(=O)[C@H]1C[NH2+]CCOC1 ZINC000649354293 398167209 /nfs/dbraw/zinc/16/72/09/398167209.db2.gz WPHTUSMHUXLUOW-LBPRGKRZSA-N 1 0 249.314 0.276 10 0 BCAERO C[C@H](CN1C[C@@H]([NH3+])C1=O)c1nccs1 ZINC000235449054 398189989 /nfs/dbraw/zinc/18/99/89/398189989.db2.gz QMWSBLFPRJBRGO-RNFRBKRXSA-N 1 0 211.290 0.416 10 0 BCAERO Cc1cc(F)ccc1S(=O)(=O)N[C@H]1C[C@@H]1[NH3+] ZINC000036264784 178091762 /nfs/dbraw/zinc/09/17/62/178091762.db2.gz MVHRRIMRMCOJTF-IUCAKERBSA-N 1 0 244.291 0.512 10 0 BCAERO C[C@@H]([NH3+])c1noc([C@@H]2CSCN2)n1 ZINC000306766084 398192749 /nfs/dbraw/zinc/19/27/49/398192749.db2.gz NTOKAGFAIIGQPB-UHNVWZDZSA-N 1 0 200.267 0.424 10 0 BCAERO Cc1cc(N(C)[C@@H]2CC[NH2+]C2)nc(C)n1 ZINC000070897336 178099960 /nfs/dbraw/zinc/09/99/60/178099960.db2.gz XKVOYKDONPPWNN-SNVBAGLBSA-N 1 0 206.293 0.892 10 0 BCAERO CN(C)[C@H]1C[NH2+]C[C@@H](C(=O)OC(C)(C)C)C1 ZINC000536961258 398199908 /nfs/dbraw/zinc/19/99/08/398199908.db2.gz YLWZYPUNUCFEMH-VHSXEESVSA-N 1 0 228.336 0.868 10 0 BCAERO Cc1cc(N(C)[C@H]2CC[NH2+]C2)n2ncnc2n1 ZINC000071311714 178101803 /nfs/dbraw/zinc/10/18/03/178101803.db2.gz CZFHSYJIMSQQLE-VIFPVBQESA-N 1 0 232.291 0.231 10 0 BCAERO C[C@@H]1OCCN(C(=O)[C@@H]2CCC[C@H]2C[NH3+])[C@H]1C ZINC000380561986 398200181 /nfs/dbraw/zinc/20/01/81/398200181.db2.gz MKUJGEZIWHFSLP-FIQHERPVSA-N 1 0 240.347 0.997 10 0 BCAERO CC(C)(C)OCC[N@@H+]1C[C@@H](O)C[C@@H]1CO ZINC000185178495 136219792 /nfs/dbraw/zinc/21/97/92/136219792.db2.gz HWFDQAXPJWCYSZ-ZJUUUORDSA-N 1 0 217.309 0.229 10 0 BCAERO Cc1cc(C(=O)N2CC[C@H]([NH3+])[C@H]2C)nn1C ZINC000380668030 398205253 /nfs/dbraw/zinc/20/52/53/398205253.db2.gz AEOFCDFXWQLXPQ-BDAKNGLRSA-N 1 0 222.292 0.290 10 0 BCAERO C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2C)C[C@H](CO)O1 ZINC000386320344 398205672 /nfs/dbraw/zinc/20/56/72/398205672.db2.gz NIUJYGXVZRBZIM-GRYCIOLGSA-N 1 0 228.336 0.162 10 0 BCAERO CCOc1nccnc1N1CC[C@@H](C[NH2+]C)C1 ZINC000516030144 398213709 /nfs/dbraw/zinc/21/37/09/398213709.db2.gz NNZPKMRHNKVJES-JTQLQIEISA-N 1 0 236.319 0.921 10 0 BCAERO Cc1cc(NC(=O)[C@@H]2C[NH2+]C[C@H]2C)nn1C ZINC000300773959 178145975 /nfs/dbraw/zinc/14/59/75/178145975.db2.gz JONUQTGQJRGUFA-VXNVDRBHSA-N 1 0 222.292 0.523 10 0 BCAERO Cc1cc(NC(=O)[C@H]2CCC[NH2+]C2)n(C)n1 ZINC000019413090 178148015 /nfs/dbraw/zinc/14/80/15/178148015.db2.gz ADQGIDWRYUXTEK-VIFPVBQESA-N 1 0 222.292 0.667 10 0 BCAERO CO[C@@H](C)CCC(=O)N1CCC[C@H]1C[NH3+] ZINC000166794158 398212517 /nfs/dbraw/zinc/21/25/17/398212517.db2.gz YLJQBRJMCKRFLU-UWVGGRQHSA-N 1 0 214.309 0.751 10 0 BCAERO Cc1cc(C)n(CCn2cc(C(C)(C)[NH3+])nn2)n1 ZINC000386849576 398221830 /nfs/dbraw/zinc/22/18/30/398221830.db2.gz ZBUHESKKPNEWAI-UHFFFAOYSA-N 1 0 248.334 0.985 10 0 BCAERO NC(=O)c1ccccc1[C@@H]1CCOCC[NH2+]1 ZINC000616658667 398223060 /nfs/dbraw/zinc/22/30/60/398223060.db2.gz JAAOPSFCAGBDID-NSHDSACASA-N 1 0 220.272 0.837 10 0 BCAERO Cc1cc(OC[C@@H]2C[NH2+]CCO2)ncn1 ZINC000076642231 178212563 /nfs/dbraw/zinc/21/25/63/178212563.db2.gz KFZIWDCFLSYDNM-VIFPVBQESA-N 1 0 209.249 0.152 10 0 BCAERO Cc1cc([C@@H]2CCCN2C(=O)C[NH3+])on1 ZINC000037820272 178241017 /nfs/dbraw/zinc/24/10/17/178241017.db2.gz AOVRUAWFCFSAPC-QMMMGPOBSA-N 1 0 209.249 0.605 10 0 BCAERO C[C@@H]1CCSCC[N@@H+]1[C@H]1COC[C@@H]1O ZINC000306643593 361807273 /nfs/dbraw/zinc/80/72/73/361807273.db2.gz XDVWROPCEVGIGF-UTLUCORTSA-N 1 0 217.334 0.574 10 0 BCAERO Cc1cc2c(N(C)[C@@H]3CC[NH2+]C3)nccn2n1 ZINC000129797038 178277929 /nfs/dbraw/zinc/27/79/29/178277929.db2.gz QXLLAZZAXJQAST-SNVBAGLBSA-N 1 0 231.303 0.836 10 0 BCAERO Cc1cc2c(N3CCC[C@H]3C[NH3+])nccn2n1 ZINC000129933627 178280089 /nfs/dbraw/zinc/28/00/89/178280089.db2.gz APDDTAHLUZPWKU-JTQLQIEISA-N 1 0 231.303 0.965 10 0 BCAERO C[C@]1(C(=O)Nc2nc[nH]n2)CCCC[NH2+]1 ZINC000645410077 398248172 /nfs/dbraw/zinc/24/81/72/398248172.db2.gz RHXKUTFPVVLLKO-SECBINFHSA-N 1 0 209.253 0.275 10 0 BCAERO C[C@@H]1OCC[C@@H]1NC(=O)[C@H]1[NH2+]CC1(C)C ZINC000390790954 398249785 /nfs/dbraw/zinc/24/97/85/398249785.db2.gz BZHYQTFXMDAANE-XHNCKOQMSA-N 1 0 212.293 0.278 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)N1CCO[C@H](C)[C@H]1C ZINC000380578183 398251254 /nfs/dbraw/zinc/25/12/54/398251254.db2.gz MFVZAGGLSQZYPG-GMTAPVOTSA-N 1 0 228.336 0.996 10 0 BCAERO CC[NH2+][C@H]1CCN(S(C)(=O)=O)C[C@@H]1C ZINC000168069832 538944338 /nfs/dbraw/zinc/94/43/38/538944338.db2.gz HYOOJOOQEYMUON-IUCAKERBSA-N 1 0 220.338 0.266 10 0 BCAERO Cc1nncn1CCNC(=O)C[C@H]([NH3+])C(C)C ZINC000390887097 398257897 /nfs/dbraw/zinc/25/78/97/398257897.db2.gz IZWBIDPHWUMXDL-JTQLQIEISA-N 1 0 239.323 0.076 10 0 BCAERO CC(=O)N1CC[NH+](C[C@@H]2CCC[C@@H](O)C2)CC1 ZINC000383511240 398258002 /nfs/dbraw/zinc/25/80/02/398258002.db2.gz LIPOWNOWAICOLI-CHWSQXEVSA-N 1 0 240.347 0.702 10 0 BCAERO C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCC[NH2+][C@@H]2C)CO1 ZINC000576705312 365664925 /nfs/dbraw/zinc/66/49/25/365664925.db2.gz ZOVUVPLLTSHXKA-GWOFURMSSA-N 1 0 226.320 0.668 10 0 BCAERO Cc1ccc(-n2ccnc2CC[NH3+])nn1 ZINC000052304656 178347656 /nfs/dbraw/zinc/34/76/56/178347656.db2.gz PSRZUNQGGVTJOE-UHFFFAOYSA-N 1 0 203.249 0.472 10 0 BCAERO Cc1nccc(N2C[C@H](C)[NH2+]C[C@@H]2C)n1 ZINC000083119033 349544396 /nfs/dbraw/zinc/54/43/96/349544396.db2.gz MVTRCBQXQPDSMT-IUCAKERBSA-N 1 0 206.293 0.972 10 0 BCAERO C[C@H](O)CNC(=O)[C@@]1(C)CCC[C@H]1[NH3+] ZINC000227319357 343999097 /nfs/dbraw/zinc/99/90/97/343999097.db2.gz QPLFHOJLYVBVDD-XKSSXDPKSA-N 1 0 200.282 0.001 10 0 BCAERO Cc1nnsc1Cn1cc(C(C)(C)[NH3+])nn1 ZINC000381636699 398267271 /nfs/dbraw/zinc/26/72/71/398267271.db2.gz OIMYJZCFFJSMJV-UHFFFAOYSA-N 1 0 238.320 0.680 10 0 BCAERO CN1CCC[C@@H]1C[N@@H+]1CC[C@@H](CCO)C1 ZINC000386340646 398264977 /nfs/dbraw/zinc/26/49/77/398264977.db2.gz RSIKJLZHGIWZAF-NWDGAFQWSA-N 1 0 212.337 0.785 10 0 BCAERO COCCN(CCOC)C(=O)C[C@H]([NH3+])C(C)C ZINC000136315505 488178559 /nfs/dbraw/zinc/17/85/59/488178559.db2.gz RUVZBMSCSWJORY-NSHDSACASA-N 1 0 246.351 0.481 10 0 BCAERO COC(=O)/C=C/C(=O)O[C@@H](C)C[NH+](C)C ZINC000223096214 398274597 /nfs/dbraw/zinc/27/45/97/398274597.db2.gz FVROBTGWOSPHAS-GJIOHYHPSA-N 1 0 215.249 0.209 10 0 BCAERO CC(C)NC(=O)CN(C)C(=O)C[C@H]([NH3+])C(C)C ZINC000136378670 488179243 /nfs/dbraw/zinc/17/92/43/488179243.db2.gz QWGUHCIZYVVMGU-JTQLQIEISA-N 1 0 243.351 0.343 10 0 BCAERO Cc1n[nH]cc1[C@H](C)[NH2+]C[C@H]1CN(C)CCO1 ZINC000180844359 538958909 /nfs/dbraw/zinc/95/89/09/538958909.db2.gz KSVOMWJNFORDFZ-ONGXEEELSA-N 1 0 238.335 0.699 10 0 BCAERO Cc1n[nH]cc1[C@H](C)[NH2+][C@H]1CCc2ncnn2C1 ZINC000180853378 538959210 /nfs/dbraw/zinc/95/92/10/538959210.db2.gz CVGWGSXDJZNBKS-WPRPVWTQSA-N 1 0 246.318 0.975 10 0 BCAERO Nc1nc(CSC2=[NH+]CCN2)cs1 ZINC000001671791 342708078 /nfs/dbraw/zinc/70/80/78/342708078.db2.gz QPTFPZQRPIYZPR-UHFFFAOYSA-N 1 0 214.319 0.918 10 0 BCAERO OCCN1CCC[C@H]([NH2+]Cc2cscn2)C1 ZINC000309594640 342729576 /nfs/dbraw/zinc/72/95/76/342729576.db2.gz UDMYJDMYZYKOJQ-JTQLQIEISA-N 1 0 241.360 0.689 10 0 BCAERO COC(=O)c1cncc(N[C@H](C)C[C@@H](C)[NH3+])n1 ZINC000320413416 342733849 /nfs/dbraw/zinc/73/38/49/342733849.db2.gz WSYGNEKPGXOJAM-HTQZYQBOSA-N 1 0 238.291 0.801 10 0 BCAERO CSCC(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000602593798 349616454 /nfs/dbraw/zinc/61/64/54/349616454.db2.gz NEJYXTYKBXMCIC-HTQZYQBOSA-N 1 0 202.323 0.403 10 0 BCAERO CCN(C)C(=O)[C@@H](C)NC[C@H]1CCC[NH2+]C1 ZINC000231844316 342739875 /nfs/dbraw/zinc/73/98/75/342739875.db2.gz MQBFTKSGBZSCDA-MNOVXSKESA-N 1 0 227.352 0.442 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)N[C@H](C)C(=O)N(C)CC ZINC000231855322 342740434 /nfs/dbraw/zinc/74/04/34/342740434.db2.gz URSPIVUOCHMVEO-RKDXNWHRSA-N 1 0 229.324 0.097 10 0 BCAERO CO[C@@H]1CCCC[C@@H]1NC(=O)C[C@H](C)[NH3+] ZINC000261584502 536581417 /nfs/dbraw/zinc/58/14/17/536581417.db2.gz PVIMPKIRRJYPMU-LPEHRKFASA-N 1 0 214.309 0.798 10 0 BCAERO [NH3+][C@H]1CCCC[C@@H]1NS(=O)(=O)C1CC1 ZINC000070910100 361875903 /nfs/dbraw/zinc/87/59/03/361875903.db2.gz FPHVGVMTILUUAC-IUCAKERBSA-N 1 0 218.322 0.338 10 0 BCAERO CCCCNC(=O)C[NH2+][C@@H](C(=O)NC)C(C)C ZINC000183646905 538967625 /nfs/dbraw/zinc/96/76/25/538967625.db2.gz BMKUPCUQXYZSQY-LLVKDONJSA-N 1 0 243.351 0.263 10 0 BCAERO C[C@@H](C(=O)N1CCO[C@H](C)C1)[C@H](C)[NH3+] ZINC000248484987 398282212 /nfs/dbraw/zinc/28/22/12/398282212.db2.gz KIGHRWMSEVNWSP-HLTSFMKQSA-N 1 0 200.282 0.217 10 0 BCAERO C[C@H]1CN(C(=O)C[NH+](C)C)C[C@H](C)O1 ZINC000185465824 538970944 /nfs/dbraw/zinc/97/09/44/538970944.db2.gz NCIXNHDVUKJJSU-IUCAKERBSA-N 1 0 200.282 0.184 10 0 BCAERO C[S@@](=O)(=NC#N)c1ccc(C[NH3+])nc1 ZINC000148756161 342792490 /nfs/dbraw/zinc/79/24/90/342792490.db2.gz LDKKOUDVLZKZDY-AWEZNQCLSA-N 1 0 210.262 0.478 10 0 BCAERO [NH3+]C[C@@H]1CCCN1C(=O)CCOCC(F)F ZINC000232337966 342809283 /nfs/dbraw/zinc/80/92/83/342809283.db2.gz ZGXNQBCNOCRHFH-QMMMGPOBSA-N 1 0 236.262 0.608 10 0 BCAERO O=C1CCc2c(cccc2N2CC[NH2+]CC2)N1 ZINC000035962862 342811563 /nfs/dbraw/zinc/81/15/63/342811563.db2.gz SAJOKJMYVGBVJK-UHFFFAOYSA-N 1 0 231.299 0.981 10 0 BCAERO C[C@@H]1CN(C[C@@H]2CSCC[NH2+]2)CCO1 ZINC000127041307 342814734 /nfs/dbraw/zinc/81/47/34/342814734.db2.gz DNDHPUYBANOKSC-NXEZZACHSA-N 1 0 216.350 0.412 10 0 BCAERO CC(C)S(=O)(=O)N[C@H]1CCCC[NH2+]C1 ZINC000069683819 342807613 /nfs/dbraw/zinc/80/76/13/342807613.db2.gz KIAYFGOKTGTUEG-VIFPVBQESA-N 1 0 220.338 0.456 10 0 BCAERO CC[N@H+]1C[C@H](NCc2ncc[nH]2)[C@@H](C)C1 ZINC000380340403 538988929 /nfs/dbraw/zinc/98/89/29/538988929.db2.gz RKMLTQGYMIXLPF-UWVGGRQHSA-N 1 0 208.309 0.840 10 0 BCAERO COC(=O)CCCN(C)C(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000091539439 398293252 /nfs/dbraw/zinc/29/32/52/398293252.db2.gz JIPMTLMNPLZKHJ-NXEZZACHSA-N 1 0 242.319 0.525 10 0 BCAERO C[C@H]1[NH2+]CCC[C@H]1NC(=O)Cc1ccn(C)n1 ZINC000335479966 398290951 /nfs/dbraw/zinc/29/09/51/398290951.db2.gz PZLBSOPRKCNSRH-MWLCHTKSSA-N 1 0 236.319 0.219 10 0 BCAERO COC[C@H](C)C[N@@H+]1CCC[C@H](NC(C)=O)C1 ZINC000189664548 538984299 /nfs/dbraw/zinc/98/42/99/538984299.db2.gz SAOSFVYFQQXSDJ-PWSUYJOCSA-N 1 0 228.336 0.869 10 0 BCAERO OC[C@@H]1C[C@H]1[NH2+]Cc1cnc2ccccn12 ZINC000381484688 539002029 /nfs/dbraw/zinc/00/20/29/539002029.db2.gz HMHXAJFEHPYLRE-GXSJLCMTSA-N 1 0 217.272 0.805 10 0 BCAERO C[C@]1(C(=O)N2CC([NH3+])C2)CCCS1 ZINC000164849202 342837313 /nfs/dbraw/zinc/83/73/13/342837313.db2.gz BAXBQRYYAPMNSK-SECBINFHSA-N 1 0 200.307 0.442 10 0 BCAERO OCCN1CCC[C@H]([NH2+]Cc2cncs2)C1 ZINC000381502811 539002234 /nfs/dbraw/zinc/00/22/34/539002234.db2.gz QDRXJESFMCOVTD-JTQLQIEISA-N 1 0 241.360 0.689 10 0 BCAERO C[C@H]1NC(=O)CC[C@@H]1[NH2+]Cc1cn(C)cn1 ZINC000381780002 539007021 /nfs/dbraw/zinc/00/70/21/539007021.db2.gz XUIGIHFEVUCGJL-SCZZXKLOSA-N 1 0 222.292 0.177 10 0 BCAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]Cc1cn(C)cn1 ZINC000381780008 539007349 /nfs/dbraw/zinc/00/73/49/539007349.db2.gz XUIGIHFEVUCGJL-WCBMZHEXSA-N 1 0 222.292 0.177 10 0 BCAERO O=C(CC1CCSCC1)NC1C[NH2+]C1 ZINC000157712296 342835504 /nfs/dbraw/zinc/83/55/04/342835504.db2.gz LRXSWPGNXAOYAN-UHFFFAOYSA-N 1 0 214.334 0.608 10 0 BCAERO CC[N@@H+]1C[C@@H](C)[C@H](Nc2cncc(C)n2)C1 ZINC000381345984 538998738 /nfs/dbraw/zinc/99/87/38/538998738.db2.gz ZANYCHSTIPULEK-MWLCHTKSSA-N 1 0 220.320 0.959 10 0 BCAERO C[C@@H](CC(N)=O)[NH2+][C@@H]1CCc2nccn2C1 ZINC000381373907 538999215 /nfs/dbraw/zinc/99/92/15/538999215.db2.gz IIYLZZOZLWLQFA-DTWKUNHWSA-N 1 0 222.292 0.051 10 0 BCAERO CC[C@H](COC)[NH2+]C1CCN(CCO)CC1 ZINC000381409960 539000413 /nfs/dbraw/zinc/00/04/13/539000413.db2.gz UFJSNEUSQQWQKV-LLVKDONJSA-N 1 0 230.352 0.458 10 0 BCAERO C[C@H]([NH3+])C(=O)Nc1ccc2c[nH]nc2c1 ZINC000011804616 342843572 /nfs/dbraw/zinc/84/35/72/342843572.db2.gz PQAHOKPKIPOWPF-LURJTMIESA-N 1 0 204.233 0.849 10 0 BCAERO CCc1nccn1[C@H](C)[C@@H]([NH2+]C)C(N)=O ZINC000710717106 539028237 /nfs/dbraw/zinc/02/82/37/539028237.db2.gz GFIUQXFEVZQYEI-VXNVDRBHSA-N 1 0 210.281 0.080 10 0 BCAERO O=C(N[C@H]1CCC[C@H](O)C1)[C@@H]1CCCC[NH2+]1 ZINC000037000954 398298388 /nfs/dbraw/zinc/29/83/88/398298388.db2.gz YJBBSTJBHOEXOJ-DCAQKATOSA-N 1 0 226.320 0.548 10 0 BCAERO CCCCCNC(=O)C[NH2+][C@@H](C)COC ZINC000389986162 539019336 /nfs/dbraw/zinc/01/93/36/539019336.db2.gz MEGFXMLXORTGIT-JTQLQIEISA-N 1 0 216.325 0.917 10 0 BCAERO C[C@@H]1OCC[C@]1([NH2+]C1CCCC1)C(N)=O ZINC000134418912 342841596 /nfs/dbraw/zinc/84/15/96/342841596.db2.gz IYLQVGRUIMKPER-GZMMTYOYSA-N 1 0 212.293 0.552 10 0 BCAERO C[C@H]1OCC[C@@H]1NC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000382022321 398300095 /nfs/dbraw/zinc/30/00/95/398300095.db2.gz QQMZCSBGPLACNV-SPFKKGSWSA-N 1 0 210.277 0.030 10 0 BCAERO CCOC(=O)c1cnc2n1CC[NH2+]CC2 ZINC000238296436 259325612 /nfs/dbraw/zinc/32/56/12/259325612.db2.gz AGHJAIPFKLDWPA-UHFFFAOYSA-N 1 0 209.249 0.206 10 0 BCAERO CCN1CCO[C@H](C[NH2+]Cc2c[nH]nc2C)C1 ZINC000134435961 342854175 /nfs/dbraw/zinc/85/41/75/342854175.db2.gz HQRWOKSPNXYFMJ-GFCCVEGCSA-N 1 0 238.335 0.528 10 0 BCAERO C[NH2+][C@H]1CSC[C@H]1Cc1ccn(C)n1 ZINC000134590238 342871374 /nfs/dbraw/zinc/87/13/74/342871374.db2.gz OSYMUJBTKXXVMI-SCZZXKLOSA-N 1 0 211.334 0.914 10 0 BCAERO CCNc1nc[nH+]c(NN)c1Br ZINC000233681451 342877160 /nfs/dbraw/zinc/87/71/60/342877160.db2.gz HEHPOZXJUAVSSY-UHFFFAOYSA-N 1 0 232.085 0.957 10 0 BCAERO CCOC[C@@H](C)[NH2+][C@@H]1CCCNC1=O ZINC000133034438 398309527 /nfs/dbraw/zinc/30/95/27/398309527.db2.gz NAXNUTFQSCNNJT-RKDXNWHRSA-N 1 0 200.282 0.280 10 0 BCAERO CC(C)(C)ONC(=O)[C@H]1CCC[C@H]1[NH3+] ZINC000134507259 342859625 /nfs/dbraw/zinc/85/96/25/342859625.db2.gz ANCIXYPHKTWMJB-JGVFFNPUSA-N 1 0 200.282 0.960 10 0 BCAERO CC[C@H](C(N)=S)[N@@H+]1CC[C@@](C)(O)C1 ZINC000233893822 342895534 /nfs/dbraw/zinc/89/55/34/342895534.db2.gz BMMZIAKBYQKTPC-VXNVDRBHSA-N 1 0 202.323 0.508 10 0 BCAERO COC(=O)[C@@H]1CCC[N@@H+]([C@H]2CCCNC2=O)C1 ZINC000336084802 398315194 /nfs/dbraw/zinc/31/51/94/398315194.db2.gz BOZRSFQAWVLTCH-ZJUUUORDSA-N 1 0 240.303 0.150 10 0 BCAERO OCC[C@@H]1CC[N@H+](CCOC2CCOCC2)C1 ZINC000625190503 342905577 /nfs/dbraw/zinc/90/55/77/342905577.db2.gz VRIPETKMWWFMMB-LBPRGKRZSA-N 1 0 243.347 0.886 10 0 BCAERO [NH3+]C1(c2csc(-c3nc[nH]n3)n2)CC1 ZINC000165313082 342906263 /nfs/dbraw/zinc/90/62/63/342906263.db2.gz OMUNVCNZZWROEE-UHFFFAOYSA-N 1 0 207.262 0.876 10 0 BCAERO CCOCCC(=O)N1C[C@H](C)[C@H]([NH3+])C1 ZINC000233716154 342911944 /nfs/dbraw/zinc/91/19/44/342911944.db2.gz SLKVZRZMUKAYBN-DTWKUNHWSA-N 1 0 200.282 0.219 10 0 BCAERO CCC[C@H]([NH3+])C(=O)NCCCOCC ZINC000036872948 342912766 /nfs/dbraw/zinc/91/27/66/342912766.db2.gz DCJNUZLOHSIGDY-VIFPVBQESA-N 1 0 202.298 0.657 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N1CCO[C@@H](CC)C1 ZINC000036873328 342913106 /nfs/dbraw/zinc/91/31/06/342913106.db2.gz QDZYTUBOKATQIL-UWVGGRQHSA-N 1 0 214.309 0.751 10 0 BCAERO C[C@@H]1C[NH2+]C/C(=C/CS(C)(=O)=O)C1 ZINC000401739025 342926793 /nfs/dbraw/zinc/92/67/93/342926793.db2.gz QPQHARVPBCSSGU-FVKOELHVSA-N 1 0 203.307 0.587 10 0 BCAERO C[S@](=O)N1CC[NH2+]C[C@@H]1C(C)(C)C ZINC000407279102 342914301 /nfs/dbraw/zinc/91/43/01/342914301.db2.gz SVPAEOVTPDLGKM-OQPBUACISA-N 1 0 204.339 0.600 10 0 BCAERO CS[C@H]1C[NH2+]C[C@H]1N1CCOCC1 ZINC000134889538 342917076 /nfs/dbraw/zinc/91/70/76/342917076.db2.gz YHDLCYUKDLSEBZ-BDAKNGLRSA-N 1 0 202.323 0.022 10 0 BCAERO CCc1ncnc(N(C)CCC[NH3+])c1F ZINC000234160572 342917234 /nfs/dbraw/zinc/91/72/34/342917234.db2.gz KIVKRUCPEJVXLW-UHFFFAOYSA-N 1 0 212.272 0.963 10 0 BCAERO COC(=O)[C@H](C)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261534066 536630549 /nfs/dbraw/zinc/63/05/49/536630549.db2.gz LRQDWZAIWGOJML-IUCAKERBSA-N 1 0 214.309 0.607 10 0 BCAERO C[C@@H](NC(=O)C[NH2+]C1CC1)[C@@H]1CCCO1 ZINC000037476970 398327584 /nfs/dbraw/zinc/32/75/84/398327584.db2.gz DAUBWIIQEWSFNY-SCZZXKLOSA-N 1 0 212.293 0.422 10 0 BCAERO COC(=O)c1ccc(N2C[C@H]([NH3+])[C@@H](C)C2)nc1C ZINC000234602102 342932643 /nfs/dbraw/zinc/93/26/43/342932643.db2.gz QXIVBGYAAHYSKC-KWQFWETISA-N 1 0 249.314 0.960 10 0 BCAERO CC(C)[C@H]([NH3+])C(=O)NCC[C@@H]1CCCO1 ZINC000038096909 398335980 /nfs/dbraw/zinc/33/59/80/398335980.db2.gz TXXAMQUZURZCSZ-UWVGGRQHSA-N 1 0 214.309 0.655 10 0 BCAERO C[C@H]([NH3+])CC(=O)NCC[C@H]1CCCO1 ZINC000038097065 398335985 /nfs/dbraw/zinc/33/59/85/398335985.db2.gz IALPUTXUSPAKFW-DTWKUNHWSA-N 1 0 200.282 0.409 10 0 BCAERO CC[C@H]([NH3+])C(=O)NCC[C@H]1CCCO1 ZINC000038097051 398336079 /nfs/dbraw/zinc/33/60/79/398336079.db2.gz QZLXOABSXAFXNW-BDAKNGLRSA-N 1 0 200.282 0.409 10 0 BCAERO CCN1CCO[C@H](C[NH2+][C@H]2CO[C@H](C)C2)C1 ZINC000401782444 398333065 /nfs/dbraw/zinc/33/30/65/398333065.db2.gz ILIHFIYPWWCPAK-IJLUTSLNSA-N 1 0 228.336 0.474 10 0 BCAERO CC[C@@H](NC(=O)[C@H]1CCC[NH2+]C1)C(=O)OC ZINC000152704794 398333105 /nfs/dbraw/zinc/33/31/05/398333105.db2.gz DVMDFIBWXKTUJZ-DTWKUNHWSA-N 1 0 228.292 0.054 10 0 BCAERO C[C@H](NC(=O)C1CCC([NH3+])CC1)C(=O)N(C)C ZINC000037626357 398333300 /nfs/dbraw/zinc/33/33/00/398333300.db2.gz BZTQUIIVECHEFZ-IDKOKCKLSA-N 1 0 241.335 0.097 10 0 BCAERO CC(C)[C@@H]([NH3+])CC(=O)NCc1ccc(=O)[nH]c1 ZINC000392710735 398335016 /nfs/dbraw/zinc/33/50/16/398335016.db2.gz KQKRJUOSURLQNK-JTQLQIEISA-N 1 0 237.303 0.777 10 0 BCAERO CC[C@@H](C)[C@H]([NH3+])C(=O)NCC[N@H+]1CC=CCC1 ZINC000392827705 398335625 /nfs/dbraw/zinc/33/56/25/398335625.db2.gz YKDYDIRRAHXDPJ-NEPJUHHUSA-N 1 0 239.363 0.738 10 0 BCAERO C[C@H]1NC(=O)CC[C@H]1[NH2+]CCc1ccccn1 ZINC000392850507 398335717 /nfs/dbraw/zinc/33/57/17/398335717.db2.gz DXSXZQRWCIYFPB-ZYHUDNBSSA-N 1 0 233.315 0.881 10 0 BCAERO CO[C@H]1CCN(C(=O)[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000234799608 342943035 /nfs/dbraw/zinc/94/30/35/342943035.db2.gz BXXVJSNIMRNFMV-MXWKQRLJSA-N 1 0 226.320 0.751 10 0 BCAERO Brc1cc2n(n1)CC[NH2+]C2 ZINC000214334364 259334103 /nfs/dbraw/zinc/33/41/03/259334103.db2.gz GJGLPTBKEKACKU-UHFFFAOYSA-N 1 0 202.055 0.749 10 0 BCAERO COC[C@@H]1CCN(C(=O)[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000234832245 342954982 /nfs/dbraw/zinc/95/49/82/342954982.db2.gz YCTARFXDQLXUMT-GMTAPVOTSA-N 1 0 226.320 0.337 10 0 BCAERO CCc1cc(N2CCC[C@@](O)(C(N)=O)C2)cc[nH+]1 ZINC000307791718 529532925 /nfs/dbraw/zinc/53/29/25/529532925.db2.gz URXXYJZORMWQGK-ZDUSSCGKSA-N 1 0 249.314 0.461 10 0 BCAERO COC1CCC([NH2+][C@@H]2CCCNC2=O)CC1 ZINC000164254726 536740605 /nfs/dbraw/zinc/74/06/05/536740605.db2.gz OUYXMELAXMUDCU-VQXHTEKXSA-N 1 0 226.320 0.812 10 0 BCAERO CC(=O)N1CCN[C@@H](c2ccccn2)C1 ZINC000220108560 344021184 /nfs/dbraw/zinc/02/11/84/344021184.db2.gz YSZGNBDVXZMKRW-LLVKDONJSA-N 1 0 205.261 0.574 10 0 BCAERO CC(=O)N1CCN[C@H](c2ccccn2)C1 ZINC000220108481 344021225 /nfs/dbraw/zinc/02/12/25/344021225.db2.gz YSZGNBDVXZMKRW-NSHDSACASA-N 1 0 205.261 0.574 10 0 BCAERO CC(C)(C)[C@@H](O)C[NH2+]CC(=O)N1CCCCC1 ZINC000306023938 259337299 /nfs/dbraw/zinc/33/72/99/259337299.db2.gz MLBPZFPVEDSNKU-NSHDSACASA-N 1 0 242.363 0.996 10 0 BCAERO CO[C@@H]1CCCN(C(=O)[C@H]2CCC[C@H]2C[NH3+])C1 ZINC000299900834 488194052 /nfs/dbraw/zinc/19/40/52/488194052.db2.gz AAKNQYOPTJBBIA-TUAOUCFPSA-N 1 0 240.347 0.999 10 0 BCAERO C[C@@H]1CN(C(=O)[C@H]2CCCCO2)C[C@@H]1[NH3+] ZINC000235338507 343010868 /nfs/dbraw/zinc/01/08/68/343010868.db2.gz BABJFIMDLIFCAX-KXUCPTDWSA-N 1 0 212.293 0.361 10 0 BCAERO CC(C)(C)[C@H](O)C[NH2+]Cc1cccnn1 ZINC000308802900 259341109 /nfs/dbraw/zinc/34/11/09/259341109.db2.gz NLQGFFDJIYXIQY-SNVBAGLBSA-N 1 0 209.293 0.973 10 0 BCAERO CC(C)(C)[C@@H]([NH3+])[C@@H]1CCS(=O)(=O)C1 ZINC000043299866 343041032 /nfs/dbraw/zinc/04/10/32/343041032.db2.gz OEMXRTRCNYOFEF-SFYZADRCSA-N 1 0 205.323 0.795 10 0 BCAERO CC(C)(C)[C@H]([NH3+])[C@H]1CCS(=O)(=O)C1 ZINC000043299867 343041177 /nfs/dbraw/zinc/04/11/77/343041177.db2.gz OEMXRTRCNYOFEF-JGVFFNPUSA-N 1 0 205.323 0.795 10 0 BCAERO C[C@@H]1C[C@H](NC(=O)[C@H]2CCC[NH2+]C2)CCO1 ZINC000235438102 343036004 /nfs/dbraw/zinc/03/60/04/343036004.db2.gz IIBCGHJHTGMPIP-OUAUKWLOSA-N 1 0 226.320 0.670 10 0 BCAERO C[C@H]1CN(C(=O)CCc2cccnc2)C[C@H]1[NH3+] ZINC000235656934 343055005 /nfs/dbraw/zinc/05/50/05/343055005.db2.gz BMYAJVAKVTVXHV-CMPLNLGQSA-N 1 0 233.315 0.820 10 0 BCAERO Cc1cc([C@@H]2OC[C@H](C[NH3+])O2)sn1 ZINC000404423611 343055428 /nfs/dbraw/zinc/05/54/28/343055428.db2.gz VPOVMDGHXKVGJT-POYBYMJQSA-N 1 0 200.263 0.824 10 0 BCAERO C[C@H]1CN(c2ncnc3c2CCC3)C[C@@H]1[NH3+] ZINC000235748820 343058759 /nfs/dbraw/zinc/05/87/59/343058759.db2.gz IUPBQKKMBATFRV-WPRPVWTQSA-N 1 0 218.304 0.749 10 0 BCAERO C[NH2+][C@H](C)C(=O)NCCc1ccc(OC)cc1 ZINC000048775672 343059189 /nfs/dbraw/zinc/05/91/89/343059189.db2.gz GCEIOCIBLDUDKR-SNVBAGLBSA-N 1 0 236.315 0.962 10 0 BCAERO Cc1cnn(CCNC(=O)C[C@@H]2CCC[NH2+]2)c1 ZINC000235937226 343067387 /nfs/dbraw/zinc/06/73/87/343067387.db2.gz UJWJANKECMDHHS-NSHDSACASA-N 1 0 236.319 0.450 10 0 BCAERO Cc1cnn(CCNC(=O)[C@H]2CCC[NH2+]C2)c1 ZINC000235940835 343067461 /nfs/dbraw/zinc/06/74/61/343067461.db2.gz NMLJYCMNTBJOEG-NSHDSACASA-N 1 0 236.319 0.307 10 0 BCAERO COc1cc([C@@H]([NH3+])CO)ccc1OC(C)=O ZINC000072198518 343069100 /nfs/dbraw/zinc/06/91/00/343069100.db2.gz HTHMOEXGJIDVAW-VIFPVBQESA-N 1 0 225.244 0.613 10 0 BCAERO C[NH2+]C[C@H](O)CN(C)C(=O)C1CCCC1 ZINC000584880531 343081178 /nfs/dbraw/zinc/08/11/78/343081178.db2.gz CNXUDUNUSULYHE-JTQLQIEISA-N 1 0 214.309 0.215 10 0 BCAERO CC(C)[S@@](=O)N1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC000306663849 362020726 /nfs/dbraw/zinc/02/07/26/362020726.db2.gz RGJACWFUHOARCO-VYUIOLGVSA-N 1 0 204.339 0.728 10 0 BCAERO Cn1cncc1[C@H]([NH3+])Cc1csnn1 ZINC000306665221 362022056 /nfs/dbraw/zinc/02/20/56/362022056.db2.gz SZIUMKJIXGOCMO-SSDOTTSWSA-N 1 0 209.278 0.514 10 0 BCAERO C[NH2+]C[C@H](O)CN(C)C(=O)C1CCCCC1 ZINC000584881156 343082107 /nfs/dbraw/zinc/08/21/07/343082107.db2.gz XAVVNFQKNXZUGW-NSHDSACASA-N 1 0 228.336 0.605 10 0 BCAERO C[C@@H]([NH3+])C(=O)NC[C@@H]1CCCSC1 ZINC000306668312 362024853 /nfs/dbraw/zinc/02/48/53/362024853.db2.gz FOYQGWGGROUTEK-SFYZADRCSA-N 1 0 202.323 0.593 10 0 BCAERO CN(CC(C)(C)[NH3+])C1CCS(=O)CC1 ZINC000306668496 362025214 /nfs/dbraw/zinc/02/52/14/362025214.db2.gz KGDRJCNUNRLNFH-UHFFFAOYSA-N 1 0 218.366 0.567 10 0 BCAERO C[NH2+]C[C@H](O)CC(O)(C(C)C)C(C)C ZINC000584883610 343086710 /nfs/dbraw/zinc/08/67/10/343086710.db2.gz WRUMBBZNYNKILS-SNVBAGLBSA-N 1 0 203.326 1.000 10 0 BCAERO C[N@@H+]1CC[C@H](Oc2nc(CO)cs2)C1 ZINC000306669862 362032327 /nfs/dbraw/zinc/03/23/27/362032327.db2.gz GXCRRJRAMWSJFI-QMMMGPOBSA-N 1 0 214.290 0.718 10 0 BCAERO COC(=O)[C@]12CCC(=O)C=C1CC[NH2+]C2 ZINC000038271814 343090847 /nfs/dbraw/zinc/09/08/47/343090847.db2.gz PLKLGVGHIVHXMM-NSHDSACASA-N 1 0 209.245 0.428 10 0 BCAERO CC(C)n1cnc(CN2CC[NH2+]CC2)c1 ZINC000107383660 343075664 /nfs/dbraw/zinc/07/56/64/343075664.db2.gz WQGZDQZQPCSAFZ-UHFFFAOYSA-N 1 0 208.309 0.869 10 0 BCAERO CC(C)(C)OC(=O)N[C@H]1C[NH2+]CCOC1 ZINC000215591338 343077518 /nfs/dbraw/zinc/07/75/18/343077518.db2.gz ZKGJDFARDRHXIQ-QMMMGPOBSA-N 1 0 216.281 0.500 10 0 BCAERO C[C@@H](C(=O)N1CCCC1)N1CCC[NH2+]CC1 ZINC000026515128 343106431 /nfs/dbraw/zinc/10/64/31/343106431.db2.gz VJRRZVGILJFQGQ-NSHDSACASA-N 1 0 225.336 0.293 10 0 BCAERO CC[C@@H](O)C[N@@H+]1CCCN(C)C[C@@H]1C ZINC000233892942 343115088 /nfs/dbraw/zinc/11/50/88/343115088.db2.gz GNLKPFVPNPXHFY-WDEREUQCSA-N 1 0 200.326 0.783 10 0 BCAERO C[C@H](C(N)=S)[NH+]1CCC(CO)CC1 ZINC000043513980 343115707 /nfs/dbraw/zinc/11/57/07/343115707.db2.gz JIKPUONYAMVXJV-SSDOTTSWSA-N 1 0 202.323 0.365 10 0 BCAERO CCOCC[N@@H+]1CCCNC(=O)[C@H]1C ZINC000189287408 136270839 /nfs/dbraw/zinc/27/08/39/136270839.db2.gz WMRYYIGVQRRIQD-SECBINFHSA-N 1 0 200.282 0.233 10 0 BCAERO N#Cc1ccc2c(c1)C[C@H](N1CC[NH2+]CC1)C2 ZINC000144743909 343137485 /nfs/dbraw/zinc/13/74/85/343137485.db2.gz HVFCPSZDUUEFIO-CQSZACIVSA-N 1 0 227.311 0.931 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)NC2(C)CC[NH2+]CC2)O1 ZINC000129612218 343178611 /nfs/dbraw/zinc/17/86/11/343178611.db2.gz YCBXSWTWXHLRJF-NXEZZACHSA-N 1 0 226.320 0.812 10 0 BCAERO CCOC(=O)CC[C@@H]1CC[C@@H](C(=O)OC)C[NH2+]1 ZINC000145425839 343179823 /nfs/dbraw/zinc/17/98/23/343179823.db2.gz UIIQYITZAOQOIK-ZJUUUORDSA-N 1 0 243.303 0.871 10 0 BCAERO [NH3+]C[C@@H](NC(=O)c1nnc[nH]1)C1CCCCC1 ZINC000130811971 343182037 /nfs/dbraw/zinc/18/20/37/343182037.db2.gz FDPPTTWLORRKCF-SECBINFHSA-N 1 0 237.307 0.442 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)NC(C)(C)CC[NH3+])O1 ZINC000126209534 343169475 /nfs/dbraw/zinc/16/94/75/343169475.db2.gz MSRXAUHSCMINKV-RKDXNWHRSA-N 1 0 214.309 0.798 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)N(C)[C@@H](C[NH3+])C2CC2)O1 ZINC000126649973 343170635 /nfs/dbraw/zinc/17/06/35/343170635.db2.gz XDYNKFLFYBNPFB-DVVUODLYSA-N 1 0 226.320 0.750 10 0 BCAERO CCCn1cc(C[NH2+][C@@H]2C[C@H]2CO)cn1 ZINC000379926456 365738328 /nfs/dbraw/zinc/73/83/28/365738328.db2.gz LQSGVJITELAOOC-WDEREUQCSA-N 1 0 209.293 0.764 10 0 BCAERO C[C@H]1C[C@H]([NH3+])CCN1C(=O)[C@@H]1CCCO1 ZINC000133637349 343185649 /nfs/dbraw/zinc/18/56/49/343185649.db2.gz IECBNUGELGCMIR-AEJSXWLSSA-N 1 0 212.293 0.504 10 0 BCAERO C[C@@H]1CC[C@H](C[NH2+]CC2(O)CCOCC2)O1 ZINC000148814340 343196103 /nfs/dbraw/zinc/19/61/03/343196103.db2.gz HBUWYKDWZIKZKQ-GHMZBOCLSA-N 1 0 229.320 0.685 10 0 BCAERO C[C@@H]1CSCCN1C(=O)C1([NH3+])CCOCC1 ZINC000149731414 343196707 /nfs/dbraw/zinc/19/67/07/343196707.db2.gz YSRNMPVEMDBRQY-SECBINFHSA-N 1 0 244.360 0.458 10 0 BCAERO Cc1cc2c(NC3C[NH2+]C3)nccn2n1 ZINC000156987131 343199369 /nfs/dbraw/zinc/19/93/69/343199369.db2.gz XOKJPEURIBWCFN-UHFFFAOYSA-N 1 0 203.249 0.421 10 0 BCAERO CO[C@H]1C[NH2+][C@@H](C(=O)N(C)C2CCC2)C1 ZINC000159144878 343201654 /nfs/dbraw/zinc/20/16/54/343201654.db2.gz XVVJBGJVZKVKNI-NXEZZACHSA-N 1 0 212.293 0.374 10 0 BCAERO CN(C)C(=O)CCC[N@@H+]1CC[C@@H](CCO)C1 ZINC000159775066 343202327 /nfs/dbraw/zinc/20/23/27/343202327.db2.gz UGOIFMJRXYVKHU-NSHDSACASA-N 1 0 228.336 0.559 10 0 BCAERO COC[C@@H]([NH3+])C(=O)Nc1ccc(C)c(O)c1C ZINC000159683344 343202592 /nfs/dbraw/zinc/20/25/92/343202592.db2.gz PZGKJOHDGWAUBC-SECBINFHSA-N 1 0 238.287 0.921 10 0 BCAERO CCC[C@H](O)CNC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000163698593 343207207 /nfs/dbraw/zinc/20/72/07/343207207.db2.gz KOCYUPNYUWHQFA-CMPLNLGQSA-N 1 0 228.336 0.796 10 0 BCAERO CCC[C@@H](O)CNC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000163698721 343207242 /nfs/dbraw/zinc/20/72/42/343207242.db2.gz KOCYUPNYUWHQFA-ZYHUDNBSSA-N 1 0 228.336 0.796 10 0 BCAERO CC1(O)CC[NH+]([C@@H]2CCC[NH2+]CC2)CC1 ZINC000168812885 343210588 /nfs/dbraw/zinc/21/05/88/343210588.db2.gz XDSBXZKKPUODQS-LLVKDONJSA-N 1 0 212.337 0.975 10 0 BCAERO c1nc2c(c(NC[C@H]3C[NH2+]CCO3)n1)CCC2 ZINC000134266121 343193687 /nfs/dbraw/zinc/19/36/87/343193687.db2.gz GOMMVKPBRIEDLA-SECBINFHSA-N 1 0 234.303 0.366 10 0 BCAERO COC[C@H]([NH3+])C(=O)NCc1cnc(C)s1 ZINC000088003692 136282913 /nfs/dbraw/zinc/28/29/13/136282913.db2.gz HHTOAGHTGJUGMG-QMMMGPOBSA-N 1 0 229.305 0.041 10 0 BCAERO COC[C@H]([NH3+])C(=O)N1Cc2ccccc2C1 ZINC000088004047 136282961 /nfs/dbraw/zinc/28/29/61/136282961.db2.gz LQPMNZHUTWOWOZ-NSHDSACASA-N 1 0 220.272 0.503 10 0 BCAERO COC[C@H]([NH3+])C(=O)Nc1cnccc1C ZINC000088004310 136283205 /nfs/dbraw/zinc/28/32/05/136283205.db2.gz JLPQMAQWGZXQBG-QMMMGPOBSA-N 1 0 209.249 0.302 10 0 BCAERO O=Cc1nccn1CCN1CCOCC1 ZINC000051003339 343242811 /nfs/dbraw/zinc/24/28/11/343242811.db2.gz JANNUDMUDHQVJO-UHFFFAOYSA-N 1 0 209.249 0.028 10 0 BCAERO CC1(C)NC(=O)N(Cc2cccc(C[NH3+])c2)C1=O ZINC000019397310 187252244 /nfs/dbraw/zinc/25/22/44/187252244.db2.gz BGIDLJYXIDNKNO-UHFFFAOYSA-N 1 0 247.298 0.976 10 0 BCAERO CSCCCNC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000069013857 343256755 /nfs/dbraw/zinc/25/67/55/343256755.db2.gz WRLKLFURGUWWLH-RKDXNWHRSA-N 1 0 216.350 0.711 10 0 BCAERO C[C@H]([NH3+])c1ccccc1NS(N)(=O)=O ZINC000019504400 187252616 /nfs/dbraw/zinc/25/26/16/187252616.db2.gz FBOLWNPKYWLDKQ-LURJTMIESA-N 1 0 215.278 0.322 10 0 BCAERO [NH3+][C@H]1COC[C@H]1C(=O)Cc1cncs1 ZINC000226611110 343262436 /nfs/dbraw/zinc/26/24/36/343262436.db2.gz YNVJCAUHNXKKSJ-SFYZADRCSA-N 1 0 212.274 0.228 10 0 BCAERO O=S(=O)(c1ccccn1)C1CC[NH2+]CC1 ZINC000034163422 343265733 /nfs/dbraw/zinc/26/57/33/343265733.db2.gz FVROSCCVRCMPJK-UHFFFAOYSA-N 1 0 226.301 0.607 10 0 BCAERO O=C([C@@H]1CSCC[NH2+]1)N1CCCC1 ZINC000034731634 343277982 /nfs/dbraw/zinc/27/79/82/343277982.db2.gz MGGMDPOUORIQNY-QMMMGPOBSA-N 1 0 200.307 0.314 10 0 BCAERO CC(C)(C)OC(=O)N1CC[NH2+]C[C@@H](CO)C1 ZINC000035270235 343291562 /nfs/dbraw/zinc/29/15/62/343291562.db2.gz RZCWERACOAHBGR-SECBINFHSA-N 1 0 230.308 0.435 10 0 BCAERO [NH3+]Cc1ccccc1CN1C(=O)CCC1=O ZINC000022146398 187253874 /nfs/dbraw/zinc/25/38/74/187253874.db2.gz VHCYWYAJKYMCNG-UHFFFAOYSA-N 1 0 218.256 0.794 10 0 BCAERO C[C@@]1(c2nccs2)OC[C@H](C[NH3+])O1 ZINC000134993878 343366277 /nfs/dbraw/zinc/36/62/77/343366277.db2.gz KZKCBPYOTOACCW-POYBYMJQSA-N 1 0 200.263 0.690 10 0 BCAERO C[C@@H]1C[C@H](C)CN1S(=O)(=O)CC[NH3+] ZINC000157778056 343366727 /nfs/dbraw/zinc/36/67/27/343366727.db2.gz SOEFKCBHEQPXNK-JGVFFNPUSA-N 1 0 206.311 0.005 10 0 BCAERO [NH3+][C@H]1CCCC[C@H]1NS(=O)(=O)C(F)F ZINC000038049918 343367735 /nfs/dbraw/zinc/36/77/35/343367735.db2.gz XNRYWPOQTNEONZ-NTSWFWBYSA-N 1 0 228.264 0.398 10 0 BCAERO O=S1(=O)CC[C@@H]([NH2+]C(C2CC2)C2CC2)C1 ZINC000037466192 343345864 /nfs/dbraw/zinc/34/58/64/343345864.db2.gz FQYCJQLFDUJCMR-SNVBAGLBSA-N 1 0 229.345 0.952 10 0 BCAERO CN1CCC([NH2+][C@H]2CCCC[C@H]2O)CC1 ZINC000037691449 343351320 /nfs/dbraw/zinc/35/13/20/343351320.db2.gz OAKDXCMEIBKEFE-NWDGAFQWSA-N 1 0 212.337 0.974 10 0 BCAERO CC(C)(CO)NC(=O)[C@@H]([NH3+])c1ccccc1 ZINC000035605316 187257972 /nfs/dbraw/zinc/25/79/72/187257972.db2.gz IVXOWZFCDDXUDG-JTQLQIEISA-N 1 0 222.288 0.574 10 0 BCAERO CC(=O)NCCNC1=[NH+]C[C@H](C)S1 ZINC000036746540 187259495 /nfs/dbraw/zinc/25/94/95/187259495.db2.gz YLKOZIACADPLMQ-LURJTMIESA-N 1 0 201.295 0.203 10 0 BCAERO [NH3+]CCCN1CCCN(C(=O)C2CCC2)CC1 ZINC000037038005 187259586 /nfs/dbraw/zinc/25/95/86/187259586.db2.gz BZBLCDNSHKRYEO-UHFFFAOYSA-N 1 0 239.363 0.670 10 0 BCAERO CCO[C@H]1CC2(CC[C@H]1[NH3+])OCCO2 ZINC000023067723 344030599 /nfs/dbraw/zinc/03/05/99/344030599.db2.gz VHSHYKDCGYWYQV-BDAKNGLRSA-N 1 0 201.266 0.646 10 0 BCAERO CC(C)C[C@H](C)OC[C@H](O)C[NH2+][C@@H](C)C(N)=O ZINC000037890880 187261057 /nfs/dbraw/zinc/26/10/57/187261057.db2.gz HDTZTTIERRLXQV-GARJFASQSA-N 1 0 246.351 0.262 10 0 BCAERO C[NH+](C)[C@H]1CC2(CC[C@H]1O)OCCO2 ZINC000039384588 343389262 /nfs/dbraw/zinc/38/92/62/343389262.db2.gz MRKPRQYFNJZHPM-DTWKUNHWSA-N 1 0 201.266 0.205 10 0 BCAERO CC(C)(C)OC(=O)NC1CN([C@@H]2CC[NH2+]C2)C1 ZINC000039952032 343393771 /nfs/dbraw/zinc/39/37/71/343393771.db2.gz NRRMGJKPWGLLNO-SNVBAGLBSA-N 1 0 241.335 0.557 10 0 BCAERO C[NH+]1CCC(Nc2ncc(N)cn2)CC1 ZINC000040455639 343403973 /nfs/dbraw/zinc/40/39/73/343403973.db2.gz AEUOGMNYMRMOTM-UHFFFAOYSA-N 1 0 207.281 0.565 10 0 BCAERO CC(C)C[C@H]([NH3+])C(=O)N(CC(N)=O)CC(C)C ZINC000037818952 187261347 /nfs/dbraw/zinc/26/13/47/187261347.db2.gz FAJGIOIBEDMNKP-JTQLQIEISA-N 1 0 243.351 0.330 10 0 BCAERO CO[C@H](C)CCC(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000310310870 343424120 /nfs/dbraw/zinc/42/41/20/343424120.db2.gz DRMXMLNIFDSBKB-KXNHARMFSA-N 1 0 240.347 0.997 10 0 BCAERO OCCCCCN1CC[N@@H+]2CCC[C@H]2C1 ZINC000082462899 343439978 /nfs/dbraw/zinc/43/99/78/343439978.db2.gz VODULBSUOARCPU-LBPRGKRZSA-N 1 0 212.337 0.929 10 0 BCAERO CCOC(=O)[C@@H](C)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000082462892 343440050 /nfs/dbraw/zinc/44/00/50/343440050.db2.gz BSSBVOCXPMPIMX-GHMZBOCLSA-N 1 0 226.320 0.718 10 0 BCAERO C([C@@H]1CCCO1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000082462938 343440243 /nfs/dbraw/zinc/44/02/43/343440243.db2.gz LZRAAQYLLHRKRS-RYUDHWBXSA-N 1 0 210.321 0.945 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)NCc1ncc(CC)o1 ZINC000231645097 488217900 /nfs/dbraw/zinc/21/79/00/488217900.db2.gz IQPTZNFTRMOIFE-SECBINFHSA-N 1 0 225.292 0.981 10 0 BCAERO CCC[C@H]([NH3+])C(=O)NCC1CCOCC1 ZINC000082545484 343447813 /nfs/dbraw/zinc/44/78/13/343447813.db2.gz PLUNYADOPKWWFJ-JTQLQIEISA-N 1 0 214.309 0.657 10 0 BCAERO O=C(NCC1CCOCC1)[C@H]1CC[NH2+]C1 ZINC000082545495 343447869 /nfs/dbraw/zinc/44/78/69/343447869.db2.gz MINNACBTGJVGMR-JTQLQIEISA-N 1 0 212.293 0.139 10 0 BCAERO COC[C@H](C)CNC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000082559982 343448163 /nfs/dbraw/zinc/44/81/63/343448163.db2.gz PIHWEQYHYBHPEH-OPRDCNLKSA-N 1 0 214.309 0.241 10 0 BCAERO CC(C)(C)n1cc(Cn2cc(C[NH3+])nn2)cn1 ZINC000641152370 362241810 /nfs/dbraw/zinc/24/18/10/362241810.db2.gz MYVLMKLHNFCVGY-UHFFFAOYSA-N 1 0 234.307 0.737 10 0 BCAERO Cc1ccc(CC[N@@H+]2C[C@H](O)C[C@@H]2CO)cc1 ZINC000185144119 178534371 /nfs/dbraw/zinc/53/43/71/178534371.db2.gz MNSWSPVUQPLUQI-ZIAGYGMSSA-N 1 0 235.327 0.965 10 0 BCAERO [NH3+]C[C@H]1CCCN1C(=O)[C@H]1CCCOC1 ZINC000082590093 343454160 /nfs/dbraw/zinc/45/41/60/343454160.db2.gz CIPSQCGDVFTLRJ-VHSXEESVSA-N 1 0 212.293 0.363 10 0 BCAERO [NH3+]C[C@@H]1CCCN1C(=O)[C@@H]1CCCCO1 ZINC000082590193 343454238 /nfs/dbraw/zinc/45/42/38/343454238.db2.gz ANDXOEXBEIRRAN-UWVGGRQHSA-N 1 0 212.293 0.505 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)NCc1cscn1 ZINC000082626630 343457223 /nfs/dbraw/zinc/45/72/23/343457223.db2.gz HLPZIKIXTLRHMD-VXNVDRBHSA-N 1 0 225.317 0.615 10 0 BCAERO CC1(C)CN(C(=O)[C@H]2CCCO2)CC[C@@H]1[NH3+] ZINC000258994867 136374150 /nfs/dbraw/zinc/37/41/50/136374150.db2.gz BPNZVVGPKSUDTA-ZJUUUORDSA-N 1 0 226.320 0.751 10 0 BCAERO CCc1onc(C)c1C(=O)N[C@@H](C)C[NH3+] ZINC000261542359 136374459 /nfs/dbraw/zinc/37/44/59/136374459.db2.gz GUUKJCHYEYJEFI-LURJTMIESA-N 1 0 211.265 0.622 10 0 BCAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)NCc1ccc(=O)[nH]c1 ZINC000262672361 136374749 /nfs/dbraw/zinc/37/47/49/136374749.db2.gz PFXDIUKJZPQPGC-LDYMZIIASA-N 1 0 237.303 0.777 10 0 BCAERO COCC[NH2+][C@@H]1CCC[C@H]1[C@H]1COCCN1 ZINC000261997175 536894720 /nfs/dbraw/zinc/89/47/20/536894720.db2.gz UFJQDINCKHKLDK-IJLUTSLNSA-N 1 0 228.336 0.380 10 0 BCAERO CC[C@@H](O)CN1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000082699504 343460757 /nfs/dbraw/zinc/46/07/57/343460757.db2.gz CROXCFRPUAOSNJ-SDDRHHMPSA-N 1 0 212.337 0.926 10 0 BCAERO CCC[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000044538920 343506440 /nfs/dbraw/zinc/50/64/40/343506440.db2.gz BEPOJIBMASMKHK-QWRGUYRKSA-N 1 0 227.352 0.572 10 0 BCAERO Cc1ccc([C@H](C)[NH2+]CCCS(N)(=O)=O)o1 ZINC000045064818 343522881 /nfs/dbraw/zinc/52/28/81/343522881.db2.gz DNEDOWQONVRNNZ-VIFPVBQESA-N 1 0 246.332 0.917 10 0 BCAERO [NH3+]CCN1CCCCC[C@H]1c1conn1 ZINC000616624834 343525065 /nfs/dbraw/zinc/52/50/65/343525065.db2.gz HLNWJZTXIHQJBA-JTQLQIEISA-N 1 0 210.281 0.945 10 0 BCAERO CC(C)(C)[N@@H+]1CCCO[C@@H](C(N)=O)C1 ZINC000616651874 343531531 /nfs/dbraw/zinc/53/15/31/343531531.db2.gz BGDHGFIEWVNLGX-MRVPVSSYSA-N 1 0 200.282 0.361 10 0 BCAERO [NH3+]CCN1CCc2ccccc2[C@@H]1CCO ZINC000616679324 343535822 /nfs/dbraw/zinc/53/58/22/343535822.db2.gz UBDQXQVEIPHGRS-ZDUSSCGKSA-N 1 0 220.316 0.927 10 0 BCAERO COc1cc(N)ccc1N[C@H]1C[NH2+]C[C@@H]1O ZINC000204076636 343556970 /nfs/dbraw/zinc/55/69/70/343556970.db2.gz DMNXNLJQDBPYAP-UWVGGRQHSA-N 1 0 223.276 0.022 10 0 BCAERO CC(C)(C)[NH2+]CC(=O)N1CCC(C(N)=O)CC1 ZINC000048614288 343584773 /nfs/dbraw/zinc/58/47/73/343584773.db2.gz PJUOWSAVTMZEKE-UHFFFAOYSA-N 1 0 241.335 0.098 10 0 BCAERO NC(=O)c1ccccc1C[NH2+]CCn1ccnc1 ZINC000042541422 187265600 /nfs/dbraw/zinc/26/56/00/187265600.db2.gz VFOGXBWUXNQTGY-UHFFFAOYSA-N 1 0 244.298 0.772 10 0 BCAERO CC(C)([NH3+])C(=O)N[C@H]1CCC[C@H](O)C1 ZINC000040921083 187264524 /nfs/dbraw/zinc/26/45/24/187264524.db2.gz ZSWUZLMXLJDCJF-YUMQZZPRSA-N 1 0 200.282 0.143 10 0 BCAERO C[N@H+](C[C@H]1CCC[C@@H]1O)CC(C)(C)O ZINC000086275031 343616566 /nfs/dbraw/zinc/61/65/66/343616566.db2.gz IUXIGUVUBPDUHJ-ZJUUUORDSA-N 1 0 201.310 0.850 10 0 BCAERO CCOC(=O)[C@@H](C)NC1CCC(C(N)=O)CC1 ZINC000043637862 187267369 /nfs/dbraw/zinc/26/73/69/187267369.db2.gz KOIWZQMYVYSCEX-XNWIYYODSA-N 1 0 242.319 0.572 10 0 BCAERO [NH3+][C@H]1CCN(CN2C(=O)c3ccccc3C2=O)C1 ZINC000050243528 343612038 /nfs/dbraw/zinc/61/20/38/343612038.db2.gz XIGDFNMGXMBGFS-VIFPVBQESA-N 1 0 245.282 0.273 10 0 BCAERO NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1O ZINC000205010898 343613360 /nfs/dbraw/zinc/61/33/60/343613360.db2.gz SWAHHZAITJEBED-VXGBXAGGSA-N 1 0 234.299 0.355 10 0 BCAERO COc1nscc1Cn1cc[nH+]c1N ZINC000712926216 537796752 /nfs/dbraw/zinc/79/67/52/537796752.db2.gz XETZKWPPHDDMKT-UHFFFAOYSA-N 1 0 210.262 0.979 10 0 BCAERO C[C@@H](C(N)=S)[N@@H+]1CC[C@@H](C)[C@H](O)C1 ZINC000299921103 343638910 /nfs/dbraw/zinc/63/89/10/343638910.db2.gz ZAKIRNORSGTKLF-GJMOJQLCSA-N 1 0 202.323 0.364 10 0 BCAERO [NH3+][C@@H]1CC[C@@H](CNS(=O)(=O)C2CC2)C1 ZINC000227630119 537795054 /nfs/dbraw/zinc/79/50/54/537795054.db2.gz UVLZEKYPBNVHDG-HTQZYQBOSA-N 1 0 218.322 0.196 10 0 BCAERO CN(CC1CCOCC1)C(=O)[C@@H]1CC[NH2+]C1 ZINC000082545463 133502235 /nfs/dbraw/zinc/50/22/35/133502235.db2.gz FOTDVQGFCJDDKU-LLVKDONJSA-N 1 0 226.320 0.481 10 0 BCAERO C[C@@H]1CC[C@@H]([C@H]2CC[NH+]=C3NCCN32)O1 ZINC000300014631 537801723 /nfs/dbraw/zinc/80/17/23/537801723.db2.gz BBOXDGMWNISKHI-BBBLOLIVSA-N 1 0 209.293 0.587 10 0 BCAERO CN([C@@H]1CCCC[C@@H]1[NH3+])S(C)(=O)=O ZINC000141263884 343692086 /nfs/dbraw/zinc/69/20/86/343692086.db2.gz FLZXSVDQJZDFTQ-JGVFFNPUSA-N 1 0 206.311 0.148 10 0 BCAERO [NH3+]C[C@H]1CCCN1C(=O)[C@@H]1CCCOC1 ZINC000082590091 133502999 /nfs/dbraw/zinc/50/29/99/133502999.db2.gz CIPSQCGDVFTLRJ-NXEZZACHSA-N 1 0 212.293 0.363 10 0 BCAERO CC(C)N(CCO)C(=O)[C@H]1[NH2+]CCC[C@@H]1C ZINC000051794162 187270866 /nfs/dbraw/zinc/27/08/66/187270866.db2.gz LLSFFQNWHLZQNR-QWRGUYRKSA-N 1 0 228.336 0.604 10 0 BCAERO COC[C@H]([NH3+])C(=O)N1CCCCC[C@H]1C ZINC000088004510 343687854 /nfs/dbraw/zinc/68/78/54/343687854.db2.gz SNTFFYTWFSSEEB-ZJUUUORDSA-N 1 0 214.309 0.751 10 0 BCAERO COC[C@@H]([NH3+])C(=O)NCc1ccc(Cl)s1 ZINC000088004522 343687906 /nfs/dbraw/zinc/68/79/06/343687906.db2.gz XITOPPKKZBOQBP-SSDOTTSWSA-N 1 0 248.735 0.991 10 0 BCAERO COC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(C)C ZINC000088004806 343688022 /nfs/dbraw/zinc/68/80/22/343688022.db2.gz RVHHYBXWUAEUJN-UWVGGRQHSA-N 1 0 214.309 0.607 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N1CCC(C)(C)C1 ZINC000088005040 343688351 /nfs/dbraw/zinc/68/83/51/343688351.db2.gz BREKIWBBWGCBOB-MRVPVSSYSA-N 1 0 200.282 0.219 10 0 BCAERO CN(C(=O)[C@@H]1CSCN1)[C@@H]1CCC[N@H+](C)C1 ZINC000053245672 187271561 /nfs/dbraw/zinc/27/15/61/187271561.db2.gz RXAQAYXSUZNLLF-ZJUUUORDSA-N 1 0 243.376 0.202 10 0 BCAERO CCOC(=O)C[C@@H]([NH3+])[C@@H]1CCCOC1 ZINC000082584643 537806688 /nfs/dbraw/zinc/80/66/88/537806688.db2.gz KJPSZCLGCXVTRS-RKDXNWHRSA-N 1 0 201.266 0.694 10 0 BCAERO CCC1(CC)CCN(C(=O)[C@H]2C[C@@H](O)C[NH2+]2)C1 ZINC000094802302 168454774 /nfs/dbraw/zinc/45/47/74/168454774.db2.gz BGQNLLWIXVJJEL-GHMZBOCLSA-N 1 0 240.347 0.748 10 0 BCAERO CCC1(CC)CCN(C(=O)[C@@H]2C[C@H](O)C[NH2+]2)C1 ZINC000094802299 168454794 /nfs/dbraw/zinc/45/47/94/168454794.db2.gz BGQNLLWIXVJJEL-QWRGUYRKSA-N 1 0 240.347 0.748 10 0 BCAERO CN(C(=O)c1cccnc1N)[C@@H]1CCC[N@H+](C)C1 ZINC000053250978 187272465 /nfs/dbraw/zinc/27/24/65/187272465.db2.gz RHDNZFFOTGEOSX-SNVBAGLBSA-N 1 0 248.330 0.830 10 0 BCAERO COCCn1cnnc1CCC1CC[NH2+]CC1 ZINC000054525909 187272064 /nfs/dbraw/zinc/27/20/64/187272064.db2.gz WHUWCQGABFSEGP-UHFFFAOYSA-N 1 0 238.335 0.857 10 0 BCAERO CC(=O)NCCNC(=O)CC1CCC([NH3+])CC1 ZINC000055127461 187272103 /nfs/dbraw/zinc/27/21/03/187272103.db2.gz VOQZGNLAACUGQY-UHFFFAOYSA-N 1 0 241.335 0.146 10 0 BCAERO COC(=O)[C@H](C1CC1)N1CC[C@@H]([NH+](C)C)C1 ZINC000084094822 343750337 /nfs/dbraw/zinc/75/03/37/343750337.db2.gz RVNXDONIYIIZPU-MNOVXSKESA-N 1 0 226.320 0.574 10 0 BCAERO COCCn1cnnc1C1CCC([NH3+])CC1 ZINC000054525941 187272623 /nfs/dbraw/zinc/27/26/23/187272623.db2.gz ZUBKNUXVKLCGID-UHFFFAOYSA-N 1 0 224.308 0.909 10 0 BCAERO CC(C)C(=[NH2+])N[C@H]1CCS(=O)(=O)C1 ZINC000062988976 349868412 /nfs/dbraw/zinc/86/84/12/349868412.db2.gz XHPNHSNXAVXAME-ZETCQYMHSA-N 1 0 204.295 0.396 10 0 BCAERO [NH3+][C@H]1CCC2(C[C@@H]1n1ccnc1)OCCO2 ZINC000023072026 344038609 /nfs/dbraw/zinc/03/86/09/344038609.db2.gz WTWHZOQWAJDPKO-UWVGGRQHSA-N 1 0 223.276 0.679 10 0 BCAERO CC[NH2+][C@H](C)CNc1cc(OC)ncn1 ZINC000387662476 346995183 /nfs/dbraw/zinc/99/51/83/346995183.db2.gz NPEGWPVCPPTPIH-MRVPVSSYSA-N 1 0 210.281 0.895 10 0 BCAERO COC(=O)[C@H]1CCCN(C(=O)[C@@H]2CC[NH2+]C2)C1 ZINC000570524689 323062050 /nfs/dbraw/zinc/06/20/50/323062050.db2.gz YHFJZDXFFDSHSU-ZJUUUORDSA-N 1 0 240.303 0.008 10 0 BCAERO CC[C@@H](O)CN1CCO[C@H](C[NH+](C)C)C1 ZINC000106387099 347014082 /nfs/dbraw/zinc/01/40/82/347014082.db2.gz WCDANRMMEDKGPO-GHMZBOCLSA-N 1 0 216.325 0.020 10 0 BCAERO [NH3+]Cc1cn(CCO[C@H]2CC2(F)F)nn1 ZINC000641186059 362261596 /nfs/dbraw/zinc/26/15/96/362261596.db2.gz WEPFMWPHXXDGNV-ZETCQYMHSA-N 1 0 218.207 0.161 10 0 BCAERO C[NH+](C)[C@@H]1CCN(c2cc(N)ns2)C1 ZINC000234272776 343933721 /nfs/dbraw/zinc/93/37/21/343933721.db2.gz OIIIAYKLKVLALH-SSDOTTSWSA-N 1 0 212.322 0.866 10 0 BCAERO CC1(C)C[N@H+](CCC(N)=S)CCO1 ZINC000036232525 343973183 /nfs/dbraw/zinc/97/31/83/343973183.db2.gz FVWHWMGWPLLRCS-UHFFFAOYSA-N 1 0 202.323 0.773 10 0 BCAERO O[C@@H](CC[NH2+][C@@H]1CCCC[C@H]1O)C(F)F ZINC000634726566 343951861 /nfs/dbraw/zinc/95/18/61/343951861.db2.gz WFRIAWIAZKLPOI-HLTSFMKQSA-N 1 0 223.263 0.896 10 0 BCAERO CC(C)[C@@H]1CC[C@H](S(N)(=O)=O)C[NH2+]1 ZINC000070632477 343953286 /nfs/dbraw/zinc/95/32/86/343953286.db2.gz CVWAGSZXUORAHX-YUMQZZPRSA-N 1 0 206.311 0.052 10 0 BCAERO Cc1cnc(N(C)[C@@H]2CC[NH2+]C2)nc1C ZINC000107201335 343956920 /nfs/dbraw/zinc/95/69/20/343956920.db2.gz QYVVYFWKJUKXPK-SNVBAGLBSA-N 1 0 206.293 0.892 10 0 BCAERO C[C@@H]1CCC[C@@]([NH3+])(C(=O)NCCO)C1 ZINC000070903707 343957230 /nfs/dbraw/zinc/95/72/30/343957230.db2.gz ZOXUWVTWFOVRPN-SCZZXKLOSA-N 1 0 200.282 0.003 10 0 BCAERO CC[N@@H+]1CCC[C@@H]1CN(C)[C@@H](C)C(N)=O ZINC000092665712 343959291 /nfs/dbraw/zinc/95/92/91/343959291.db2.gz KCYQVRSLKLHTJC-VHSXEESVSA-N 1 0 213.325 0.276 10 0 BCAERO Cc1nnc(SC[C@@H]2CC[NH2+]C2)n1C ZINC000071110063 343961241 /nfs/dbraw/zinc/96/12/41/343961241.db2.gz ICEXQUWAUUGPFM-MRVPVSSYSA-N 1 0 212.322 0.825 10 0 BCAERO Cc1n[nH]cc1C[NH2+][C@H]1CCCN(CCO)C1 ZINC000395085080 344064827 /nfs/dbraw/zinc/06/48/27/344064827.db2.gz XRXYRMGYWHGZDX-LBPRGKRZSA-N 1 0 238.335 0.264 10 0 BCAERO FC(F)(F)c1noc(C[C@H]2COCC[NH2+]2)n1 ZINC000083128188 187284456 /nfs/dbraw/zinc/28/44/56/187284456.db2.gz ZCSCCEKMKLFDCP-YFKPBYRVSA-N 1 0 237.181 0.619 10 0 BCAERO CC(C)(C[NH3+])C(=O)NC[C@H]1CCC[C@@H]1O ZINC000133071870 187286761 /nfs/dbraw/zinc/28/67/61/187286761.db2.gz SKCMTEMQEYSIKY-BDAKNGLRSA-N 1 0 214.309 0.249 10 0 BCAERO C[C@@]1(O)N(CC[NH3+])C(=O)OC12CCCCC2 ZINC000000052568 344101226 /nfs/dbraw/zinc/10/12/26/344101226.db2.gz RCQWHCKOAXTVCF-JTQLQIEISA-N 1 0 228.292 0.809 10 0 BCAERO CC[C@@H]([NH3+])C(=O)N1[C@H](C)COC[C@@H]1C ZINC000130002578 344101388 /nfs/dbraw/zinc/10/13/88/344101388.db2.gz IVJGNIQICOHKDU-HRDYMLBCSA-N 1 0 200.282 0.360 10 0 BCAERO C[C@@H]1C[C@@H]1NC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634742142 344163383 /nfs/dbraw/zinc/16/33/83/344163383.db2.gz BCYINXNGMIPMJO-WDCWCFNPSA-N 1 0 208.305 0.901 10 0 BCAERO O=C(NC1CCOCC1)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634740912 344163506 /nfs/dbraw/zinc/16/35/06/344163506.db2.gz MMWAMWOBHKLJLL-GWCFXTLKSA-N 1 0 238.331 0.671 10 0 BCAERO COCC(=O)N[C@@H]1C[NH2+]CC[C@H]1C(F)(F)F ZINC000616569673 344171226 /nfs/dbraw/zinc/17/12/26/344171226.db2.gz BWXNATAOWVZQCY-RNFRBKRXSA-N 1 0 240.225 0.289 10 0 BCAERO COCC(=O)N[C@H]1C[NH2+]CC[C@@H]1C(F)(F)F ZINC000616569665 344171245 /nfs/dbraw/zinc/17/12/45/344171245.db2.gz BWXNATAOWVZQCY-BQBZGAKWSA-N 1 0 240.225 0.289 10 0 BCAERO CC[C@@H](COC)NC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634737545 344136134 /nfs/dbraw/zinc/13/61/34/344136134.db2.gz UILWMZVDDCPRAH-GVXVVHGQSA-N 1 0 240.347 0.917 10 0 BCAERO C[C@@H](O)CCNC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634738259 344143934 /nfs/dbraw/zinc/14/39/34/344143934.db2.gz LDBRTLPZIGTQEN-SCVCMEIPSA-N 1 0 226.320 0.263 10 0 BCAERO CN(CC[NH3+])c1ncnc2scnc21 ZINC000107208781 344150573 /nfs/dbraw/zinc/15/05/73/344150573.db2.gz YXEGHWNIXWAXEL-UHFFFAOYSA-N 1 0 209.278 0.481 10 0 BCAERO C[C@H]([NH3+])[C@@H]1CN(C(=O)C(F)(F)F)CCO1 ZINC000133026889 349905700 /nfs/dbraw/zinc/90/57/00/349905700.db2.gz IOLRABWUHALLBI-WDSKDSINSA-N 1 0 226.198 0.123 10 0 BCAERO CC1(C)C[C@@H]([NH2+]C(CO)CO)C(C)(C)O1 ZINC000086927514 344225718 /nfs/dbraw/zinc/22/57/18/344225718.db2.gz QMJWZKMPMHVGAY-SECBINFHSA-N 1 0 217.309 0.275 10 0 BCAERO CCOC(=O)CC(=O)N1CC[C@H](C)[C@H]([NH3+])C1 ZINC000616571293 344179835 /nfs/dbraw/zinc/17/98/35/344179835.db2.gz WQOKIOSKKCXJID-DTWKUNHWSA-N 1 0 228.292 0.135 10 0 BCAERO O=C(C1CCOCC1)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000616573076 344184282 /nfs/dbraw/zinc/18/42/82/344184282.db2.gz WKLLKYOCZMYGIS-NWDGAFQWSA-N 1 0 238.331 0.766 10 0 BCAERO CN(C(=O)[C@]12CCC[C@H]1C[NH2+]C2)[C@H]1CCOC1 ZINC000634749324 344189517 /nfs/dbraw/zinc/18/95/17/344189517.db2.gz OKALLHHEHZIQHU-GVXVVHGQSA-N 1 0 238.331 0.623 10 0 BCAERO CC(C)C[C@H]1COCCN1C(=O)[C@H]1CC[NH2+]C1 ZINC000236666792 187289678 /nfs/dbraw/zinc/28/96/78/187289678.db2.gz UBGKUQWVMCFDDU-RYUDHWBXSA-N 1 0 240.347 0.869 10 0 BCAERO [NH3+][C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1CCCOC1 ZINC000054769124 344256921 /nfs/dbraw/zinc/25/69/21/344256921.db2.gz KZUYSKSYIVGYJS-MXWKQRLJSA-N 1 0 226.320 0.799 10 0 BCAERO Cn1nnc(Br)c1[C@@H]([NH3+])C1CC1 ZINC000236107015 344296776 /nfs/dbraw/zinc/29/67/76/344296776.db2.gz GOWPMKVEAVDADN-YFKPBYRVSA-N 1 0 231.097 0.987 10 0 BCAERO COc1cc(Cl)nc(NC(=O)C[NH3+])n1 ZINC000234824197 344270931 /nfs/dbraw/zinc/27/09/31/344270931.db2.gz KDLSWUPSUUBKLT-UHFFFAOYSA-N 1 0 216.628 0.036 10 0 BCAERO CCN(CCC(=O)OC)C(=O)[C@H]1CCC[NH2+]1 ZINC000237013115 169819780 /nfs/dbraw/zinc/81/97/80/169819780.db2.gz OVTIMCPGNKWUFK-SECBINFHSA-N 1 0 228.292 0.150 10 0 BCAERO C[C@@H](CS(C)(=O)=O)[NH2+]C[C@H](O)C(C)(C)C ZINC000132176047 344281837 /nfs/dbraw/zinc/28/18/37/344281837.db2.gz VYBAMICBAPHDHG-IUCAKERBSA-N 1 0 237.365 0.416 10 0 BCAERO Cc1nc[nH]c1CNC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634769629 344283438 /nfs/dbraw/zinc/28/34/38/344283438.db2.gz IDQMDKAMDWMKMM-GWCFXTLKSA-N 1 0 248.330 0.724 10 0 BCAERO C[C@H](NC(=O)[C@]12CCC[C@H]1C[NH2+]C2)c1nc[nH]n1 ZINC000634769532 344283578 /nfs/dbraw/zinc/28/35/78/344283578.db2.gz DVIVSYPAIVSBSO-AUTRQRHGSA-N 1 0 249.318 0.372 10 0 BCAERO O=C(N[C@@H]1CCOC1)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634770641 344285241 /nfs/dbraw/zinc/28/52/41/344285241.db2.gz SLRQNMCDBUCLTP-UMNHJUIQSA-N 1 0 224.304 0.281 10 0 BCAERO [NH3+]CCN1C(=O)S/C(=C\C2CC2)C1=O ZINC000220408788 344286167 /nfs/dbraw/zinc/28/61/67/344286167.db2.gz ZJDYLHNBTDRPQE-ALCCZGGFSA-N 1 0 212.274 0.934 10 0 BCAERO C[C@]1(C(=O)N2C[C@@H]3COC[C@@H]3C2)CCCC[NH2+]1 ZINC000634774395 344292835 /nfs/dbraw/zinc/29/28/35/344292835.db2.gz PJWYCIHGGSLFIQ-NTZNESFSSA-N 1 0 238.331 0.623 10 0 BCAERO [NH3+][C@@H]1CC[C@@H](C(=O)N2C[C@@H]3COC[C@@H]3C2)C1 ZINC000634774067 344294017 /nfs/dbraw/zinc/29/40/17/344294017.db2.gz BJYNCZUZUNTVEC-CHWFTXMASA-N 1 0 224.304 0.219 10 0 BCAERO C[C@H]1C[C@@H]([NH3+])CN1c1ncnc2c1cnn2C ZINC000385066644 344314209 /nfs/dbraw/zinc/31/42/09/344314209.db2.gz CBWQKRFKFKUIGB-JGVFFNPUSA-N 1 0 232.291 0.289 10 0 BCAERO CCc1nc(CN2CCC[C@H]2C[NH3+])no1 ZINC000133238466 344316115 /nfs/dbraw/zinc/31/61/15/344316115.db2.gz ZBAXYRYOOAMEOM-QMMMGPOBSA-N 1 0 210.281 0.555 10 0 BCAERO Cc1cc2c(N3C[C@@H]([NH3+])C[C@H]3C)nccn2n1 ZINC000385086014 344320553 /nfs/dbraw/zinc/32/05/53/344320553.db2.gz IDYSFJUVNQKNEY-ZJUUUORDSA-N 1 0 231.303 0.964 10 0 BCAERO Cc1cc2c(N3C[C@@H]([NH3+])C[C@@H]3C)nccn2n1 ZINC000385085997 344320562 /nfs/dbraw/zinc/32/05/62/344320562.db2.gz IDYSFJUVNQKNEY-UWVGGRQHSA-N 1 0 231.303 0.964 10 0 BCAERO CC[NH+]1CCC(n2cc(C=O)nn2)CC1 ZINC000095080045 344332913 /nfs/dbraw/zinc/33/29/13/344332913.db2.gz GFFQOLZGBWXDDR-UHFFFAOYSA-N 1 0 208.265 0.747 10 0 BCAERO C[C@@H]1C[C@H]([NH2+]CC2(O)CCOCC2)[C@@H](C)O1 ZINC000395259952 362383293 /nfs/dbraw/zinc/38/32/93/362383293.db2.gz VZZPQMQRVYBAST-MXWKQRLJSA-N 1 0 229.320 0.683 10 0 BCAERO Cc1nnc(N2C[C@@H]([NH3+])C[C@@H]2C)nc1C ZINC000385187181 344366420 /nfs/dbraw/zinc/36/64/20/344366420.db2.gz LDQSFSZFIKLBNX-RCOVLWMOSA-N 1 0 207.281 0.414 10 0 BCAERO Cc1nnc(N2C[C@H]([NH3+])C[C@@H]2C)nc1C ZINC000385187179 344366533 /nfs/dbraw/zinc/36/65/33/344366533.db2.gz LDQSFSZFIKLBNX-IMTBSYHQSA-N 1 0 207.281 0.414 10 0 BCAERO CS(=O)(=O)[C@@H]1CCC[C@H]([C@H](F)C[NH3+])C1 ZINC000158062528 344355082 /nfs/dbraw/zinc/35/50/82/344355082.db2.gz NNCYETDRVMLJRK-DJLDLDEBSA-N 1 0 223.313 0.887 10 0 BCAERO Cc1cc(N2C[C@@H]([NH3+])C[C@@H]2C)n2ncnc2n1 ZINC000385149276 344356888 /nfs/dbraw/zinc/35/68/88/344356888.db2.gz OZXAEMGZQBOADU-IUCAKERBSA-N 1 0 232.291 0.359 10 0 BCAERO C[C@@H]1C[C@H]([NH3+])CN1c1ccnc(N(C)C)n1 ZINC000385223543 344378366 /nfs/dbraw/zinc/37/83/66/344378366.db2.gz HIMXJLJNLUYUPV-BDAKNGLRSA-N 1 0 221.308 0.469 10 0 BCAERO CCCCn1nnnc1CN1C[C@H](C)[C@H]([NH3+])C1 ZINC000300049588 344380488 /nfs/dbraw/zinc/38/04/88/344380488.db2.gz SVHMWZZAECQXSS-VHSXEESVSA-N 1 0 238.339 0.252 10 0 BCAERO CO[C@@H]1CN(C(=O)CSC)[C@@](C)(C[NH3+])C1 ZINC000600886955 344386206 /nfs/dbraw/zinc/38/62/06/344386206.db2.gz UVYWWHQNDOSLBK-WCBMZHEXSA-N 1 0 232.349 0.314 10 0 BCAERO CO[C@@H]1CN(C(=O)CCSC)[C@@](C)(C[NH3+])C1 ZINC000600885109 344388356 /nfs/dbraw/zinc/38/83/56/344388356.db2.gz KWZSCUKNHYGZLS-GXSJLCMTSA-N 1 0 246.376 0.704 10 0 BCAERO COC(=O)CCCN1C[C@H](OC)C[C@]1(C)C[NH3+] ZINC000600885771 344388359 /nfs/dbraw/zinc/38/83/59/344388359.db2.gz NSPBHIRYOFVTTM-ZYHUDNBSSA-N 1 0 244.335 0.378 10 0 BCAERO COC(=O)[C@@H](C)NC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000084310421 344418772 /nfs/dbraw/zinc/41/87/72/344418772.db2.gz RQVXZEWEXIRRRL-HLTSFMKQSA-N 1 0 228.292 0.039 10 0 BCAERO COC(=O)[C@H](C)NC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000084309707 344418833 /nfs/dbraw/zinc/41/88/33/344418833.db2.gz RQVXZEWEXIRRRL-XHNCKOQMSA-N 1 0 228.292 0.039 10 0 BCAERO COC(=O)c1cncc(N[C@@H]2CC[NH2+][C@H]2C)n1 ZINC000600957379 344419070 /nfs/dbraw/zinc/41/90/70/344419070.db2.gz PEOWGDGBVAVIRX-JGVFFNPUSA-N 1 0 236.275 0.426 10 0 BCAERO Cc1nn(C)c(N(C)C)c1C[NH2+]CCCO ZINC000381465228 344509435 /nfs/dbraw/zinc/50/94/35/344509435.db2.gz MIZTZCVDXFQYEI-UHFFFAOYSA-N 1 0 226.324 0.267 10 0 BCAERO CCC[C@H]([NH3+])C(=O)NC[C@@H](C)COC ZINC000041679463 344439708 /nfs/dbraw/zinc/43/97/08/344439708.db2.gz MKYRPOAEQDPELL-BDAKNGLRSA-N 1 0 202.298 0.513 10 0 BCAERO C[C@@H]1CC[C@H](NS(C)(=O)=O)[C@@H](C)[NH2+]1 ZINC000227520940 344477160 /nfs/dbraw/zinc/47/71/60/344477160.db2.gz ACYYEQZWQCXNOB-PRJMDXOYSA-N 1 0 206.311 0.065 10 0 BCAERO C[C@@H](Cc1ccccc1)[NH2+]C[C@@H](O)CO ZINC000085246432 344512952 /nfs/dbraw/zinc/51/29/52/344512952.db2.gz DNSFGWHXSSHUKJ-CMPLNLGQSA-N 1 0 209.289 0.560 10 0 BCAERO Cn1ccnc1CN1CCCC[C@@H]1C[NH3+] ZINC000044558648 344543466 /nfs/dbraw/zinc/54/34/66/344543466.db2.gz XJFXIVLCCZCQFX-SNVBAGLBSA-N 1 0 208.309 0.733 10 0 BCAERO C[C@H](C[NH3+])C(=O)N[C@H]1CCCSC1 ZINC000220736156 344576424 /nfs/dbraw/zinc/57/64/24/344576424.db2.gz IOFZTGZAVATAJX-SFYZADRCSA-N 1 0 202.323 0.593 10 0 BCAERO [NH3+][C@H]1CCN([C@@H]2CCCSC2)C1=O ZINC000220772186 344581277 /nfs/dbraw/zinc/58/12/77/344581277.db2.gz LDFIYCBYOGUASU-SFYZADRCSA-N 1 0 200.307 0.442 10 0 BCAERO C[C@@H]1C[C@H](N2CCC(=O)C2=O)CC[N@@H+]1C ZINC000158290608 344581336 /nfs/dbraw/zinc/58/13/36/344581336.db2.gz LLJCYUVKPKSLOK-RKDXNWHRSA-N 1 0 210.277 0.271 10 0 BCAERO C[N@H+](C1CCC1)[C@@H]1CC[C@](N)(C(N)=O)C1 ZINC000127788510 344651944 /nfs/dbraw/zinc/65/19/44/344651944.db2.gz WDAAGDDLRPINJM-MWLCHTKSSA-N 1 0 211.309 0.206 10 0 BCAERO NC(=O)[C@H]([NH3+])Cn1ccc2ccccc21 ZINC000127811304 344657937 /nfs/dbraw/zinc/65/79/37/344657937.db2.gz CNSVFNZSMGIGEV-SECBINFHSA-N 1 0 203.245 0.454 10 0 BCAERO CN(C(=O)Cc1ccncc1)[C@@H]1CCC[NH2+]C1 ZINC000104348276 187292255 /nfs/dbraw/zinc/29/22/55/187292255.db2.gz KVBFQFXIWGPXIT-GFCCVEGCSA-N 1 0 233.315 0.835 10 0 BCAERO CCOC(=O)CC[N@H+](C)[C@@H]1CCC[C@@H]1O ZINC000050067185 344719436 /nfs/dbraw/zinc/71/94/36/344719436.db2.gz HZGIVDMFPXEVJE-ZJUUUORDSA-N 1 0 215.293 0.785 10 0 BCAERO O=[S@@]1CCC[NH2+][C@@H]([C@@H]2CCOC2)C1 ZINC000158681334 344720732 /nfs/dbraw/zinc/72/07/32/344720732.db2.gz SKMMDYCBRHMCBX-KKFJDGPESA-N 1 0 203.307 0.134 10 0 BCAERO C[C@H]1C[C@@]2(CC[N@@H+]1C)NCCc1nc[nH]c12 ZINC000400390422 537855029 /nfs/dbraw/zinc/85/50/29/537855029.db2.gz PEEKBYBRFNLKLH-JOYOIKCWSA-N 1 0 220.320 0.865 10 0 BCAERO Cn1ccc(C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)n1 ZINC000310414101 344696044 /nfs/dbraw/zinc/69/60/44/344696044.db2.gz MSSCFNGRZXGWOZ-IVZWLZJFSA-N 1 0 234.303 0.229 10 0 BCAERO Cn1ncnc1SCC1CC[NH2+]CC1 ZINC000127980377 344702328 /nfs/dbraw/zinc/70/23/28/344702328.db2.gz DYUCKTVNDUTJPM-UHFFFAOYSA-N 1 0 212.322 0.907 10 0 BCAERO C[C@@H]1C[S@@](=O)C[C@H]([C@@H]2CCOC2)[NH2+]1 ZINC000158676282 344715739 /nfs/dbraw/zinc/71/57/39/344715739.db2.gz MDRFDXJCYAQKBE-LHGDZMGGSA-N 1 0 203.307 0.132 10 0 BCAERO Cc1cc(N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)ncn1 ZINC000153144817 344763070 /nfs/dbraw/zinc/76/30/70/344763070.db2.gz LBYUZEWYHBLXRQ-WDEREUQCSA-N 1 0 234.303 0.304 10 0 BCAERO CS[C@H]1CCC[C@@H]1NC(=O)C1([NH3+])CC1 ZINC000235096018 344783357 /nfs/dbraw/zinc/78/33/57/344783357.db2.gz INAUEYFPBUJMTB-YUMQZZPRSA-N 1 0 214.334 0.878 10 0 BCAERO CC[C@@H](O)C[N@@H+]1CCC[C@H]1CCCO ZINC000075684624 344784433 /nfs/dbraw/zinc/78/44/33/344784433.db2.gz YUJJVMXUFZPIAZ-WDEREUQCSA-N 1 0 201.310 0.994 10 0 BCAERO C[C@H]1CN(c2ncnc3c2CCC3)C[C@H]1[NH3+] ZINC000300048306 344839942 /nfs/dbraw/zinc/83/99/42/344839942.db2.gz IUPBQKKMBATFRV-WCBMZHEXSA-N 1 0 218.304 0.749 10 0 BCAERO C[C@@H]1CN(c2ncnc3c2CCC3)C[C@H]1[NH3+] ZINC000300048305 344840007 /nfs/dbraw/zinc/84/00/07/344840007.db2.gz IUPBQKKMBATFRV-PSASIEDQSA-N 1 0 218.304 0.749 10 0 BCAERO C[C@@H]1CN(C[C@H]2C[C@H]([NH3+])C2)C[C@@H](C)S1(=O)=O ZINC000675053257 537864607 /nfs/dbraw/zinc/86/46/07/537864607.db2.gz GTPIZPLFVIIDEC-GWOFURMSSA-N 1 0 246.376 0.231 10 0 BCAERO C[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1cnns1 ZINC000166307115 344851679 /nfs/dbraw/zinc/85/16/79/344851679.db2.gz QEIQGLUJWAGOLF-WDSKDSINSA-N 1 0 212.278 0.475 10 0 BCAERO O=C(C[C@H]1CC[NH2+]C1)Nc1cnns1 ZINC000166305403 344852001 /nfs/dbraw/zinc/85/20/01/344852001.db2.gz AYRWVMBZXHAUSI-ZCFIWIBFSA-N 1 0 212.278 0.476 10 0 BCAERO CC[C@@H](C[NH3+])C(=O)Nc1cnns1 ZINC000166292873 344845940 /nfs/dbraw/zinc/84/59/40/344845940.db2.gz JLNOZUANZAHNCQ-YFKPBYRVSA-N 1 0 200.267 0.462 10 0 BCAERO Cc1ccc(NCCN2CC[NH2+]CC2)nn1 ZINC000041045208 178759087 /nfs/dbraw/zinc/75/90/87/178759087.db2.gz BAILNNKBHNHIFK-UHFFFAOYSA-N 1 0 221.308 0.102 10 0 BCAERO C[C@@H]1SCC[C@]1([NH2+]C1CC1)C(N)=O ZINC000235396609 344901891 /nfs/dbraw/zinc/90/18/91/344901891.db2.gz ZNOVFYPRSJZOQU-IMTBSYHQSA-N 1 0 200.307 0.488 10 0 BCAERO C[NH2+]Cc1cnn(-c2cc(C)ncn2)c1 ZINC000049960735 187293869 /nfs/dbraw/zinc/29/38/69/187293869.db2.gz ADAAQVIMIVGDIM-UHFFFAOYSA-N 1 0 203.249 0.690 10 0 BCAERO C[NH2+][C@@H](CCn1ncc(Cl)c1C)C(N)=O ZINC000070704440 537876198 /nfs/dbraw/zinc/87/61/98/537876198.db2.gz YWSQTDDBWGSUQE-QMMMGPOBSA-N 1 0 230.699 0.308 10 0 BCAERO CC(C)SCC(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000583435116 344952267 /nfs/dbraw/zinc/95/22/67/344952267.db2.gz MNURFXWZKAXPFA-VHSXEESVSA-N 1 0 244.360 0.327 10 0 BCAERO C[C@H]1SCC[C@@]1([NH2+]C1CC1)C(N)=O ZINC000235628632 344958725 /nfs/dbraw/zinc/95/87/25/344958725.db2.gz ZNOVFYPRSJZOQU-MUWHJKNJSA-N 1 0 200.307 0.488 10 0 BCAERO CCC[NH2+][C@@H](Cn1ccc(C)n1)C(N)=O ZINC000070686333 537877267 /nfs/dbraw/zinc/87/72/67/537877267.db2.gz QMCOGMHMYLGOGG-VIFPVBQESA-N 1 0 210.281 0.045 10 0 BCAERO COC(C)(C)C(=O)C[C@H]1COC[C@H](C)[NH2+]1 ZINC000301023655 537878186 /nfs/dbraw/zinc/87/81/86/537878186.db2.gz QWZDNIUQWYLOAI-IUCAKERBSA-N 1 0 215.293 0.748 10 0 BCAERO Cc1ccnn1C[C@@H]([NH2+]C(C)C)C(N)=O ZINC000070687002 537878309 /nfs/dbraw/zinc/87/83/09/537878309.db2.gz HRJYIPNSNWVEMG-SECBINFHSA-N 1 0 210.281 0.043 10 0 BCAERO CC[NH2+][C@@H](CCn1ccc(C)n1)C(N)=O ZINC000070686741 537879396 /nfs/dbraw/zinc/87/93/96/537879396.db2.gz XBLYBXWJBTVSII-VIFPVBQESA-N 1 0 210.281 0.045 10 0 BCAERO CC(C)(C)OC(=O)NC[C@H]1C[NH2+]CCOC1 ZINC000238172132 344981484 /nfs/dbraw/zinc/98/14/84/344981484.db2.gz GRBABAVJMWOKNR-SECBINFHSA-N 1 0 230.308 0.747 10 0 BCAERO COc1cc([C@H]([NH3+])CCO)cc2c1OCO2 ZINC000044236233 344987066 /nfs/dbraw/zinc/98/70/66/344987066.db2.gz WDWNUUVZVSODBC-MRVPVSSYSA-N 1 0 225.244 0.806 10 0 BCAERO CN(c1ccc(C[NH3+])nn1)[C@@H]1CCSC1 ZINC000051396752 187299016 /nfs/dbraw/zinc/29/90/16/187299016.db2.gz ZLPUKEKXRLLCBW-SECBINFHSA-N 1 0 224.333 0.877 10 0 BCAERO CO[C@@H]1CCCN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000227423318 187297897 /nfs/dbraw/zinc/29/78/97/187297897.db2.gz AAKNQYOPTJBBIA-IJLUTSLNSA-N 1 0 240.347 0.999 10 0 BCAERO OCCc1cccc([C@@H]2C[NH2+]CCN2)c1 ZINC000044381513 345046552 /nfs/dbraw/zinc/04/65/52/345046552.db2.gz AHTDCOXMBSEQKR-LBPRGKRZSA-N 1 0 206.289 0.455 10 0 BCAERO Cc1ccc(OCCC(=O)NCC[NH3+])cc1 ZINC000019787442 178810433 /nfs/dbraw/zinc/81/04/33/178810433.db2.gz SKOFGAGJVGGUFB-UHFFFAOYSA-N 1 0 222.288 0.839 10 0 BCAERO C(O[C@@H]1CCCOC1)[C@@H]1C[NH2+]CCO1 ZINC000224925733 345044537 /nfs/dbraw/zinc/04/45/37/345044537.db2.gz RKMVLRYGIIFZQD-ZJUUUORDSA-N 1 0 201.266 0.170 10 0 BCAERO C[C@H]1CC[C@]2(CO1)[NH2+]CCc1nc[nH]c12 ZINC000401687574 537887113 /nfs/dbraw/zinc/88/71/13/537887113.db2.gz YJIHRRPXFBZMNU-GZMMTYOYSA-N 1 0 207.277 0.950 10 0 BCAERO C[C@@H]1SCCC[C@]12OC[C@@H](C[NH3+])O2 ZINC000226776911 345066108 /nfs/dbraw/zinc/06/61/08/345066108.db2.gz JRACFEHAEJQBLE-DJLDLDEBSA-N 1 0 203.307 0.972 10 0 BCAERO Cn1ncc(Br)c1[C@H](N)C[NH3+] ZINC000044470934 345089859 /nfs/dbraw/zinc/08/98/59/345089859.db2.gz GMOBGNCGAOANMQ-RXMQYKEDSA-N 1 0 219.086 0.141 10 0 BCAERO Cc1ccc(S(=O)(=O)N[C@@H]2C[C@H]2[NH3+])s1 ZINC000036264359 178825707 /nfs/dbraw/zinc/82/57/07/178825707.db2.gz RJNHMYRYMVBZNE-RNFRBKRXSA-N 1 0 232.330 0.434 10 0 BCAERO C[C@H]1CN(C(=O)C2([NH3+])CC2)CCS1 ZINC000155680192 345095833 /nfs/dbraw/zinc/09/58/33/345095833.db2.gz OSSYDSKTDVQZMI-ZETCQYMHSA-N 1 0 200.307 0.442 10 0 BCAERO Cc1ccc(CCNC(=O)[C@@H]2C[C@H](O)C[NH2+]2)cc1 ZINC000158957364 187300443 /nfs/dbraw/zinc/30/04/43/187300443.db2.gz UIGVTOUMOIUEMI-STQMWFEESA-N 1 0 248.326 0.377 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N[C@H](C)C(=O)N[C@@H](C)CC ZINC000156059722 345122755 /nfs/dbraw/zinc/12/27/55/345122755.db2.gz VMAWAWFCLOAAOD-AEJSXWLSSA-N 1 0 243.351 0.533 10 0 BCAERO CCC1CCC([NH2+]CC(=O)NC(N)=O)CC1 ZINC000042339542 168520607 /nfs/dbraw/zinc/52/06/07/168520607.db2.gz MTNXPHFEEIWVLZ-UHFFFAOYSA-N 1 0 227.308 0.740 10 0 BCAERO C[C@@H]1C[C@@H]1[NH2+][C@H]1CCCS(=O)(=O)CC1 ZINC000634959315 345132998 /nfs/dbraw/zinc/13/29/98/345132998.db2.gz NJSZYMLRCMXEHC-UTLUCORTSA-N 1 0 217.334 0.952 10 0 BCAERO Cc1ccc([C@@H]2C[NH2+]C[C@H]2C(N)=O)cc1 ZINC000225376692 345144931 /nfs/dbraw/zinc/14/49/31/345144931.db2.gz QTRQQERASCLNJT-WDEREUQCSA-N 1 0 204.273 0.783 10 0 BCAERO CCc1cnn(CC[C@](C)([NH3+])C(N)=O)c1 ZINC000402036795 537890422 /nfs/dbraw/zinc/89/04/22/537890422.db2.gz ZLWLLIHIAJFVIM-JTQLQIEISA-N 1 0 210.281 0.038 10 0 BCAERO CSC[C@H](C)Nc1cc(NN)[nH+]cn1 ZINC000128336449 345230387 /nfs/dbraw/zinc/23/03/87/345230387.db2.gz YJAUXUWMEDIUJZ-LURJTMIESA-N 1 0 213.310 0.926 10 0 BCAERO C[C@@H]1CN(Cc2csnn2)C[C@@H]1C[NH3+] ZINC000634998315 345198403 /nfs/dbraw/zinc/19/84/03/345198403.db2.gz DCDJANNBEHRFQG-SFYZADRCSA-N 1 0 212.322 0.565 10 0 BCAERO C[C@@H]1COCC[C@@H]1[NH2+]C[C@@H]1CNC(=O)O1 ZINC000380276043 345264117 /nfs/dbraw/zinc/26/41/17/345264117.db2.gz XRCNYJYVNWSOIM-HLTSFMKQSA-N 1 0 214.265 0.109 10 0 BCAERO CC[C@@H]([NH3+])C(=O)N1[C@@H](C)COC[C@@H]1C ZINC000130002787 345265732 /nfs/dbraw/zinc/26/57/32/345265732.db2.gz IVJGNIQICOHKDU-XHNCKOQMSA-N 1 0 200.282 0.360 10 0 BCAERO Cn1cncc1C[N@@H+]1CC[C@@H](CCO)C1 ZINC000162098571 345269763 /nfs/dbraw/zinc/26/97/63/345269763.db2.gz OIAUYTCOPXMMRM-JTQLQIEISA-N 1 0 209.293 0.624 10 0 BCAERO C[C@H](C[NH+](C)C)N1C(=S)N=NC1N ZINC000130723859 345281820 /nfs/dbraw/zinc/28/18/20/345281820.db2.gz CIEITYDEUGJRNY-RXMQYKEDSA-N 1 0 201.299 0.272 10 0 BCAERO C[C@H](C[NH+](C)C)Nc1nc(N)ns1 ZINC000130759876 345282730 /nfs/dbraw/zinc/28/27/30/345282730.db2.gz CDTHMVKIXGKDOH-RXMQYKEDSA-N 1 0 201.299 0.482 10 0 BCAERO COC(=O)[C@@](C)([NH3+])C[C@@H](C)n1cncn1 ZINC000082800476 537893810 /nfs/dbraw/zinc/89/38/10/537893810.db2.gz QOLUFPSANYCXBK-APPZFPTMSA-N 1 0 212.253 0.120 10 0 BCAERO [NH3+]CCCNc1nc2ccccc2c(=O)[nH]1 ZINC000080583982 345311414 /nfs/dbraw/zinc/31/14/14/345311414.db2.gz ZTIAYONKGMNUGH-UHFFFAOYSA-N 1 0 218.260 0.684 10 0 BCAERO C[C@H]([NH3+])[C@@H]1CN(CC(F)(F)F)CCO1 ZINC000133321003 345369741 /nfs/dbraw/zinc/36/97/41/345369741.db2.gz HXDWYJLBHITOMP-BQBZGAKWSA-N 1 0 212.215 0.597 10 0 BCAERO CC[C@@H]1CCN(C(=O)C2([NH3+])CCOCC2)C1 ZINC000158736016 345371508 /nfs/dbraw/zinc/37/15/08/345371508.db2.gz AWZHGCZCPFHEPJ-SNVBAGLBSA-N 1 0 226.320 0.753 10 0 BCAERO Cc1c[nH+]c(NN)nc1NCC(F)F ZINC000148243185 345382960 /nfs/dbraw/zinc/38/29/60/345382960.db2.gz CLTSNOPUXCMJBN-UHFFFAOYSA-N 1 0 203.196 0.748 10 0 BCAERO CC[C@](C)([NH3+])C(=O)N[C@@H]1CCO[C@@H]1C ZINC000134549903 345415352 /nfs/dbraw/zinc/41/53/52/345415352.db2.gz GMJAPRNJUCQGPA-MRTMQBJTSA-N 1 0 200.282 0.407 10 0 BCAERO C[C@@H](C[S@](C)=O)Nc1cc[nH+]cc1N ZINC000228965036 345422708 /nfs/dbraw/zinc/42/27/08/345422708.db2.gz MCBOMJRKRVCNOM-WJWGPLDTSA-N 1 0 213.306 0.843 10 0 BCAERO COC[C@@H]([NH3+])C(=O)NCCc1ccc(F)cc1 ZINC000159550076 345442007 /nfs/dbraw/zinc/44/20/07/345442007.db2.gz WYLPDLCJGHYUNN-LLVKDONJSA-N 1 0 240.278 0.458 10 0 BCAERO COC[C@H]([NH3+])C(=O)N1CCC[C@@H]1c1cccnc1 ZINC000159623998 345450074 /nfs/dbraw/zinc/45/00/74/345450074.db2.gz ILEVYYIXSJEMHC-NWDGAFQWSA-N 1 0 249.314 0.719 10 0 BCAERO COC[C@H]([NH3+])C(=O)N1CCC[C@H]1c1ccncc1 ZINC000159626075 345450738 /nfs/dbraw/zinc/45/07/38/345450738.db2.gz CWEHPRNFHQEAPH-RYUDHWBXSA-N 1 0 249.314 0.719 10 0 BCAERO Cc1nnc(NC[C@H]2CCC[NH2+]C2)nc1C ZINC000158971379 345393343 /nfs/dbraw/zinc/39/33/43/345393343.db2.gz HYECSJDMIJYEEH-JTQLQIEISA-N 1 0 221.308 0.900 10 0 BCAERO Cc1nnc(NCC[C@H]2CC[NH2+]C2)nc1C ZINC000158976150 345394004 /nfs/dbraw/zinc/39/40/04/345394004.db2.gz XVJLCRLCCXCAJQ-SNVBAGLBSA-N 1 0 221.308 0.900 10 0 BCAERO CC1(C)NC(=[NH2+])Nc2c3cccnc3nn21 ZINC000169495199 345490205 /nfs/dbraw/zinc/49/02/05/345490205.db2.gz WOHHGKKPBPANIA-UHFFFAOYSA-N 1 0 216.248 0.673 10 0 BCAERO COC[C@@H]([NH3+])C(=O)NCCOc1ccccc1 ZINC000159861528 345577655 /nfs/dbraw/zinc/57/76/55/345577655.db2.gz HRYTWXZBWOCVIG-LLVKDONJSA-N 1 0 238.287 0.155 10 0 BCAERO CC[C@H](O)C[N@H+](CCNC(C)=O)C(C)C ZINC000252500037 345534892 /nfs/dbraw/zinc/53/48/92/345534892.db2.gz SMFZUPYVXXIICZ-NSHDSACASA-N 1 0 216.325 0.604 10 0 BCAERO CCOc1cccc(C[NH2+][C@@H]2C[C@H]2CO)n1 ZINC000378785643 345559330 /nfs/dbraw/zinc/55/93/30/345559330.db2.gz LECFOTCCLPBMEB-GXSJLCMTSA-N 1 0 222.288 0.951 10 0 BCAERO CN1CCN(c2nc(N)[nH+]c3c2CCC3)CC1 ZINC000114202376 345755666 /nfs/dbraw/zinc/75/56/66/345755666.db2.gz GZRYONOCEHUIKC-UHFFFAOYSA-N 1 0 233.319 0.299 10 0 BCAERO CC(C)(O)C[NH2+]CC1(CO)CCOCC1 ZINC000563144509 323095384 /nfs/dbraw/zinc/09/53/84/323095384.db2.gz WULWGAHCTVKEEQ-UHFFFAOYSA-N 1 0 217.309 0.136 10 0 BCAERO CCOC[C@H]([NH3+])CNC(=O)OC(C)(C)C ZINC000150218245 345757414 /nfs/dbraw/zinc/75/74/14/345757414.db2.gz TUPZGETZQBBJAC-MRVPVSSYSA-N 1 0 218.297 0.875 10 0 BCAERO COC(=O)CCN1CC[NH2+]C[C@H]1C(C)C ZINC000261084588 345718698 /nfs/dbraw/zinc/71/86/98/345718698.db2.gz SVLGNFLHJGQZCA-JTQLQIEISA-N 1 0 214.309 0.479 10 0 BCAERO CC[NH+](CC)C[C@@H](O)CN1CCCC1=O ZINC000197061022 345725715 /nfs/dbraw/zinc/72/57/15/345725715.db2.gz ZEERQDWAJFCHOP-SNVBAGLBSA-N 1 0 214.309 0.312 10 0 BCAERO CCOC(=O)[C@@H](CC)N1CC[C@H]([NH+](C)C)C1 ZINC000082761111 345726547 /nfs/dbraw/zinc/72/65/47/345726547.db2.gz AMFMLZHGLBBNTJ-WDEREUQCSA-N 1 0 228.336 0.964 10 0 BCAERO CCc1ccccc1CNC(=O)[C@@H]([NH3+])COC ZINC000159964328 345758826 /nfs/dbraw/zinc/75/88/26/345758826.db2.gz STUAVVMWBMLVES-LBPRGKRZSA-N 1 0 236.315 0.839 10 0 BCAERO C[C@H]([NH3+])Cc1[nH]nc2ccc3c(c21)C[C@H](O)CO3 ZINC000034028142 345815423 /nfs/dbraw/zinc/81/54/23/345815423.db2.gz BDBRDIOLDIDDBC-YUMQZZPRSA-N 1 0 247.298 0.748 10 0 BCAERO CCCCOC[C@@H](O)C[N@@H+]1CC[C@H](CCO)C1 ZINC000300296253 345779095 /nfs/dbraw/zinc/77/90/95/345779095.db2.gz WEDMMTYTTAXFBC-OLZOCXBDSA-N 1 0 245.363 0.868 10 0 BCAERO C[C@H]([NH3+])[C@H](N1CC[C@H](O)C1)C(F)(F)F ZINC000061710065 345843881 /nfs/dbraw/zinc/84/38/81/345843881.db2.gz DDYBMVSYLMXAFL-ACZMJKKPSA-N 1 0 212.215 0.331 10 0 BCAERO CC(C)(C)OC(=O)N1C[C@H]([NH3+])CC12COC2 ZINC000218490591 345852124 /nfs/dbraw/zinc/85/21/24/345852124.db2.gz WNVJAHZTVFGIDW-MRVPVSSYSA-N 1 0 228.292 0.724 10 0 BCAERO CCN1CCO[C@H](C[NH2+][C@@H]2CCO[C@H]2C)C1 ZINC000250198486 537912544 /nfs/dbraw/zinc/91/25/44/537912544.db2.gz BCIBTIVQEOZHGM-QJPTWQEYSA-N 1 0 228.336 0.474 10 0 BCAERO Brc1cnnn1[C@@H]1CC[NH2+]C1 ZINC000215881713 349939242 /nfs/dbraw/zinc/93/92/42/349939242.db2.gz XLXFZXYQLXQFGG-RXMQYKEDSA-N 1 0 217.070 0.575 10 0 BCAERO C[N@H+](CC(N)=O)[C@H]1CCN(c2ccccc2N)C1 ZINC000141184898 345839039 /nfs/dbraw/zinc/83/90/39/345839039.db2.gz BPUKNAVSNOCSRD-JTQLQIEISA-N 1 0 248.330 0.265 10 0 BCAERO CC1(C)NC(=O)CC[C@@H]1[NH2+]Cc1cnc[nH]1 ZINC000309815713 187310537 /nfs/dbraw/zinc/31/05/37/187310537.db2.gz VHZRGFHGRQCCAU-VIFPVBQESA-N 1 0 222.292 0.557 10 0 BCAERO C[C@@H](C[C@](C)([NH3+])C(N)=O)n1cc(Cl)cn1 ZINC000082800519 537923216 /nfs/dbraw/zinc/92/32/16/537923216.db2.gz CGWQBYHDOOGXFZ-RCOVLWMOSA-N 1 0 230.699 0.690 10 0 BCAERO CC[N@@H+]1CCC[C@@H](NC(=S)NC)C1 ZINC000136152219 345936125 /nfs/dbraw/zinc/93/61/25/345936125.db2.gz JRSQIWBKHUEKNT-MRVPVSSYSA-N 1 0 201.339 0.565 10 0 BCAERO COC(=O)[C@](C)([NH3+])C[C@H](C)n1ccnc1 ZINC000082800145 537923730 /nfs/dbraw/zinc/92/37/30/537923730.db2.gz FQQMQWBAMSRFCK-WCBMZHEXSA-N 1 0 211.265 0.725 10 0 BCAERO Cc1ccn([C@@H](C)C[C@](C)([NH3+])C(N)=O)n1 ZINC000082800583 537924021 /nfs/dbraw/zinc/92/40/21/537924021.db2.gz YMNOTGFXUBUQSU-WPRPVWTQSA-N 1 0 210.281 0.345 10 0 BCAERO C[NH2+][C@](C)(C[C@H](C)n1cccn1)C(N)=O ZINC000082800453 537924042 /nfs/dbraw/zinc/92/40/42/537924042.db2.gz VSRAXZBKNVRPJM-WCBMZHEXSA-N 1 0 210.281 0.298 10 0 BCAERO C[NH2+][C@@](C)(C[C@@H](C)n1ccnc1)C(N)=O ZINC000082800167 537924417 /nfs/dbraw/zinc/92/44/17/537924417.db2.gz ZQUMLBLOMNLUKL-SCZZXKLOSA-N 1 0 210.281 0.298 10 0 BCAERO C[C@@]1(C(=O)N2CCn3ccnc3C2)CCC[NH2+]C1 ZINC000062861535 187361919 /nfs/dbraw/zinc/36/19/19/187361919.db2.gz GNOJGENWNCTYLX-CYBMUJFWSA-N 1 0 248.330 0.615 10 0 BCAERO CC(C)CNC(=O)N1CCC2(C[NH2+]C2)C1 ZINC000675054602 537947191 /nfs/dbraw/zinc/94/71/91/537947191.db2.gz XNKUVCHLVNXGJI-UHFFFAOYSA-N 1 0 211.309 0.647 10 0 BCAERO C[C@H](C[NH2+]Cc1cn[nH]c1)N1CCOCC1 ZINC000381495987 346112374 /nfs/dbraw/zinc/11/23/74/346112374.db2.gz BRYSRPCVUQYDBD-SNVBAGLBSA-N 1 0 224.308 0.220 10 0 BCAERO C=Cn1cc(C[NH2+][C@@H]2CCc3ncnn3C2)cn1 ZINC000194298406 187315935 /nfs/dbraw/zinc/31/59/35/187315935.db2.gz SGCLDDWZIONOCM-LLVKDONJSA-N 1 0 244.302 0.680 10 0 BCAERO CC[NH+]1CCC([C@@H](C)S(=O)(=O)NC)CC1 ZINC000669374825 537952066 /nfs/dbraw/zinc/95/20/66/537952066.db2.gz BLIREGWDQPJAFT-SECBINFHSA-N 1 0 234.365 0.656 10 0 BCAERO C[C@H]([NH3+])c1cn(Cc2cncs2)nn1 ZINC000167149319 346204581 /nfs/dbraw/zinc/20/45/81/346204581.db2.gz AFQMKVLEPYYQGX-LURJTMIESA-N 1 0 209.278 0.803 10 0 BCAERO COC(=O)[C@@H](C)CN(C)C(=O)C[C@@H]([NH3+])C(C)C ZINC000136404884 346212628 /nfs/dbraw/zinc/21/26/28/346212628.db2.gz AEROZEHEVYHYNI-VHSXEESVSA-N 1 0 244.335 0.627 10 0 BCAERO Cc1cccc(-c2nnc(CC[NH3+])o2)n1 ZINC000050283736 178997627 /nfs/dbraw/zinc/99/76/27/178997627.db2.gz JHPBDEXQHZBTEA-UHFFFAOYSA-N 1 0 204.233 0.941 10 0 BCAERO CNS(=O)(=O)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000669375487 537955401 /nfs/dbraw/zinc/95/54/01/537955401.db2.gz LRFWEXQNVMUVCB-JVHMLUBASA-N 1 0 218.322 0.161 10 0 BCAERO [NH3+][C@H]1CCOC[C@H]1Sc1ncco1 ZINC000236327186 346226097 /nfs/dbraw/zinc/22/60/97/346226097.db2.gz JAJMKYLPBCGWDJ-NKWVEPMBSA-N 1 0 200.263 0.883 10 0 BCAERO CC(C)C[C@@H](C[NH3+])Nc1ccnc(C(N)=O)c1 ZINC000111377197 187317055 /nfs/dbraw/zinc/31/70/55/187317055.db2.gz AOQOXISRWLTMPB-JTQLQIEISA-N 1 0 236.319 0.966 10 0 BCAERO [NH3+][C@@]1(Cc2ccco2)CCS(=O)(=O)C1 ZINC000167459208 346249812 /nfs/dbraw/zinc/24/98/12/346249812.db2.gz ZJAUSFJYORDYBB-SECBINFHSA-N 1 0 215.274 0.338 10 0 BCAERO C[NH+](C)C1CCC(S(N)(=O)=O)CC1 ZINC000669375931 537959606 /nfs/dbraw/zinc/95/96/06/537959606.db2.gz YWAHJUVSSYQCSF-UHFFFAOYSA-N 1 0 206.311 0.148 10 0 BCAERO [NH3+][C@@]1(Cc2nccs2)CCS(=O)(=O)C1 ZINC000167469679 346251311 /nfs/dbraw/zinc/25/13/11/346251311.db2.gz BHPHKOJRNGWGBT-MRVPVSSYSA-N 1 0 232.330 0.202 10 0 BCAERO CNS(=O)(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000669376417 537960679 /nfs/dbraw/zinc/96/06/79/537960679.db2.gz RSGYPUSCXNSQOI-IUCAKERBSA-N 1 0 220.338 0.408 10 0 BCAERO Cc1cccc(C(=O)NC2CC([NH3+])C2)c1O ZINC000036237215 179015009 /nfs/dbraw/zinc/01/50/09/179015009.db2.gz MEQPYBXPNSLKOQ-UHFFFAOYSA-N 1 0 220.272 0.920 10 0 BCAERO CCCn1ncc2c1nc(C)[nH+]c2NN ZINC000669376992 537963650 /nfs/dbraw/zinc/96/36/50/537963650.db2.gz CYRGMMFNHOXUDV-UHFFFAOYSA-N 1 0 206.253 0.830 10 0 BCAERO CC(C)[C@@H]1CN(c2cnns2)CC[NH2+]1 ZINC000083347088 187319335 /nfs/dbraw/zinc/31/93/35/187319335.db2.gz DRQBZMSJBADAPY-QMMMGPOBSA-N 1 0 212.322 0.972 10 0 BCAERO COCC(=O)NC[C@H]1CCCC[NH2+]C1 ZINC000308655160 537966892 /nfs/dbraw/zinc/96/68/92/537966892.db2.gz NAZXDKIUCSCXOT-VIFPVBQESA-N 1 0 200.282 0.139 10 0 BCAERO Cc1nsc(NC[C@H]2C[NH2+]CCO2)n1 ZINC000227786268 346297924 /nfs/dbraw/zinc/29/79/24/346297924.db2.gz KMFJDTCJORNAMC-SSDOTTSWSA-N 1 0 214.294 0.247 10 0 BCAERO C[C@H]1CCN(C(=O)C(F)(F)F)C[C@@H]1C[NH3+] ZINC000167615588 346289683 /nfs/dbraw/zinc/28/96/83/346289683.db2.gz FLUDZNJFQQIMAY-BQBZGAKWSA-N 1 0 224.226 0.992 10 0 BCAERO Cc1cccc(C)c1NC(=O)[C@H]1C[NH2+]CCN1 ZINC000019364530 179042405 /nfs/dbraw/zinc/04/24/05/179042405.db2.gz ITXSFUYSLHKZFF-LLVKDONJSA-N 1 0 233.315 0.803 10 0 BCAERO OCCCCC[N@@H+]1CC[C@H](CCO)C1 ZINC000161625121 346344735 /nfs/dbraw/zinc/34/47/35/346344735.db2.gz WEWGLKCWHOZTHD-LLVKDONJSA-N 1 0 201.310 0.853 10 0 BCAERO CCCNC(=O)C[N@@H+]1CC[C@H](CCO)C1 ZINC000161594928 346338986 /nfs/dbraw/zinc/33/89/86/346338986.db2.gz QUWYQXMIUQLZSX-SNVBAGLBSA-N 1 0 214.309 0.217 10 0 BCAERO O=C([O-])[C@H]1C[NH2+]C[C@@H](C[NH+]2CCCC2)C1 ZINC000669378737 537972372 /nfs/dbraw/zinc/97/23/72/537972372.db2.gz KIBACNSNKNILJM-VHSXEESVSA-N 1 0 212.293 0.393 10 0 BCAERO CCCN(c1ccc(C#N)nn1)[C@@H]1CC[NH2+]C1 ZINC000396896912 349956262 /nfs/dbraw/zinc/95/62/62/349956262.db2.gz UNOJPPWOGKQAGZ-LLVKDONJSA-N 1 0 231.303 0.927 10 0 BCAERO Cc1nnsc1CN(C)CC[N@H+](C)CCO ZINC000641775927 362715481 /nfs/dbraw/zinc/71/54/81/362715481.db2.gz PKMXZXLIAAAZJN-UHFFFAOYSA-N 1 0 244.364 0.202 10 0 BCAERO C[C@@H]1C[C@@H](N2CCC(=O)C2=O)CC[N@@H+]1C ZINC000158290888 346393390 /nfs/dbraw/zinc/39/33/90/346393390.db2.gz LLJCYUVKPKSLOK-BDAKNGLRSA-N 1 0 210.277 0.271 10 0 BCAERO CC1(C[N@@H+]2CC[C@@H]3OCCN[C@H]3C2)CC1 ZINC000381590370 346393489 /nfs/dbraw/zinc/39/34/89/346393489.db2.gz JEPZNLUXIAUQTH-QWRGUYRKSA-N 1 0 210.321 0.849 10 0 BCAERO CCCC(=O)N1CCC(OC2C[NH2+]C2)CC1 ZINC000675054868 537978285 /nfs/dbraw/zinc/97/82/85/537978285.db2.gz LCFXFZMIWHXPTM-UHFFFAOYSA-N 1 0 226.320 0.766 10 0 BCAERO COc1cccnc1NC[C@@H]1C[NH2+]CCO1 ZINC000159439972 346421536 /nfs/dbraw/zinc/42/15/36/346421536.db2.gz AUHQBSKNPFSRMF-VIFPVBQESA-N 1 0 223.276 0.491 10 0 BCAERO COC(=O)CN[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000725241380 537978750 /nfs/dbraw/zinc/97/87/50/537978750.db2.gz DXYMFEJVMMNNGD-ZJUUUORDSA-N 1 0 212.293 0.376 10 0 BCAERO O=C1OC[C@@]2(CO)C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000575154506 346438419 /nfs/dbraw/zinc/43/84/19/346438419.db2.gz BJWMDBOXVFSTIP-OCCSQVGLSA-N 1 0 247.294 0.654 10 0 BCAERO CCOCCNC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170828481 346456321 /nfs/dbraw/zinc/45/63/21/346456321.db2.gz NSBXLZIPMJFRCP-SNVBAGLBSA-N 1 0 229.324 0.368 10 0 BCAERO CCC(=O)N[C@H]1CC2(C[NH2+]C2)n2ccnc21 ZINC000669379733 537981059 /nfs/dbraw/zinc/98/10/59/537981059.db2.gz AJNQRFUJOHRGEA-QMMMGPOBSA-N 1 0 220.276 0.153 10 0 BCAERO [NH3+]C[C@@H]([C@@H]1CCCO1)N1CCSCC1 ZINC000148889374 346474880 /nfs/dbraw/zinc/47/48/80/346474880.db2.gz JNWLXIICVOIIFJ-UWVGGRQHSA-N 1 0 216.350 0.542 10 0 BCAERO COc1cc(CN2C[C@H]([NH3+])[C@@H](C)C2)on1 ZINC000641800128 362750350 /nfs/dbraw/zinc/75/03/50/362750350.db2.gz WVJMEOGRQXGHHE-CBAPKCEASA-N 1 0 211.265 0.462 10 0 BCAERO COc1cc(CN2C[C@@H](C)[C@@H]([NH3+])C2)on1 ZINC000641800127 362750491 /nfs/dbraw/zinc/75/04/91/362750491.db2.gz WVJMEOGRQXGHHE-APPZFPTMSA-N 1 0 211.265 0.462 10 0 BCAERO COCC1(CC(=O)N2CCC[C@H]2C[NH3+])CC1 ZINC000401248885 346510395 /nfs/dbraw/zinc/51/03/95/346510395.db2.gz LZIJUYIVAHLMAQ-JTQLQIEISA-N 1 0 226.320 0.753 10 0 BCAERO Cc1cccc(C[NH2+][C@H]2CC(=O)N(C)C2=O)c1 ZINC000048266181 179101422 /nfs/dbraw/zinc/10/14/22/179101422.db2.gz OMALJQZURRRDRB-NSHDSACASA-N 1 0 232.283 0.842 10 0 BCAERO Cc1cccc(C[NH2+][C@H]2CC(=O)NC2=O)c1 ZINC000048266187 179101749 /nfs/dbraw/zinc/10/17/49/179101749.db2.gz KWZPEKUUOBYTJL-JTQLQIEISA-N 1 0 218.256 0.500 10 0 BCAERO CC[C@H](NC(=O)C1CCC([NH3+])CC1)C(=O)OC ZINC000301636514 349967122 /nfs/dbraw/zinc/96/71/22/349967122.db2.gz BPUTWPSMNUQHPQ-RTBKNWGFSA-N 1 0 242.319 0.572 10 0 BCAERO COCC1(CC(=O)N2C[C@@H](C)[C@@H]([NH3+])C2)CC1 ZINC000401264376 346537900 /nfs/dbraw/zinc/53/79/00/346537900.db2.gz SJCSQNVQYKLZPJ-ZJUUUORDSA-N 1 0 226.320 0.609 10 0 BCAERO CC(C)([NH2+][C@@H]1CCS(=O)(=O)C1)C1CC1 ZINC000230620168 346550506 /nfs/dbraw/zinc/55/05/06/346550506.db2.gz NEQANDCEFYMINT-SECBINFHSA-N 1 0 217.334 0.952 10 0 BCAERO CC[C@](O)(CN1CC[NH2+]C[C@@H]1C)C(F)(F)F ZINC000669379837 537982960 /nfs/dbraw/zinc/98/29/60/537982960.db2.gz KWMZNKYCXRYJKF-IUCAKERBSA-N 1 0 240.269 0.984 10 0 BCAERO CO[C@H](C)C(=O)N1CC[C@@H](C)[C@H]([NH3+])C1 ZINC000163883487 346580890 /nfs/dbraw/zinc/58/08/90/346580890.db2.gz GDILQONXPOLFDV-IWSPIJDZSA-N 1 0 200.282 0.217 10 0 BCAERO CS(=O)(=O)NC[C@@H]1[NH2+]CC[C@@H]2CCCC[C@@H]12 ZINC000669380069 537985087 /nfs/dbraw/zinc/98/50/87/537985087.db2.gz HRAMRUUDIXQQIQ-AXFHLTTASA-N 1 0 246.376 0.704 10 0 BCAERO CS(=O)(=O)NC[C@@H]1[NH2+]CC[C@H]2CCCC[C@@H]21 ZINC000669380072 537985149 /nfs/dbraw/zinc/98/51/49/537985149.db2.gz HRAMRUUDIXQQIQ-VWYCJHECSA-N 1 0 246.376 0.704 10 0 BCAERO C[C@@]1(C(=O)NC2CC([NH3+])C2)CCCS1 ZINC000164804925 346626983 /nfs/dbraw/zinc/62/69/83/346626983.db2.gz UHPLRUGLNGFMPC-KTOWXAHTSA-N 1 0 214.334 0.878 10 0 BCAERO COC[C@@H](C)C[NH2+][C@@H]1CCc2ncnn2C1 ZINC000187836220 346627653 /nfs/dbraw/zinc/62/76/53/346627653.db2.gz BAXLRACJBGNONN-VHSXEESVSA-N 1 0 224.308 0.465 10 0 BCAERO COc1ccc([C@@H]2CC[NH2+]C[C@H]2N)cc1C=O ZINC000725242608 537984996 /nfs/dbraw/zinc/98/49/96/537984996.db2.gz LSAIBEBSKZXXGH-NWDGAFQWSA-N 1 0 234.299 0.912 10 0 BCAERO CCC(=O)N1CC2(C1)C[C@@H]([NH3+])c1nccn12 ZINC000669380026 537985730 /nfs/dbraw/zinc/98/57/30/537985730.db2.gz FVZSTWNGWIPMNU-MRVPVSSYSA-N 1 0 220.276 0.234 10 0 BCAERO [NH2+]=C(NC1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000167412545 346708711 /nfs/dbraw/zinc/70/87/11/346708711.db2.gz BIPSZRPFGKJVTH-ZCFIWIBFSA-N 1 0 202.279 0.150 10 0 BCAERO COC(=O)c1coc(C[NH2+][C@@H]2C[C@H]2CO)c1 ZINC000378660856 346799073 /nfs/dbraw/zinc/79/90/73/346799073.db2.gz BCSCTSGJGTZPPG-OIBJUYFYSA-N 1 0 225.244 0.537 10 0 BCAERO C/C(=C/c1c(Br)nnn1C)C[NH3+] ZINC000308109083 346799970 /nfs/dbraw/zinc/79/99/70/346799970.db2.gz JDTGUMDFUNNYCU-HYXAFXHYSA-N 1 0 231.097 0.940 10 0 BCAERO C[C@H]1[C@H]([NH3+])CCN1C(=O)c1ccccc1O ZINC000336529233 347136282 /nfs/dbraw/zinc/13/62/82/347136282.db2.gz FFAWVSIGEYBLDK-WCBMZHEXSA-N 1 0 220.272 0.954 10 0 BCAERO COC(=O)[C@@H]1CCC[N@H+](C[C@H](C)CO)C1 ZINC000252727664 347140040 /nfs/dbraw/zinc/14/00/40/347140040.db2.gz LXDRQWGZFMLEES-VHSXEESVSA-N 1 0 215.293 0.500 10 0 BCAERO C[C@@H]1OCC[C@@H]1NC(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000252740709 133650891 /nfs/dbraw/zinc/65/08/91/133650891.db2.gz HLUDHTQXYLKRKF-NAKRPEOUSA-N 1 0 226.320 0.798 10 0 BCAERO CCOC[C@@]1(C)[NH2+]CCc2ncn(C)c21 ZINC000725242565 537986814 /nfs/dbraw/zinc/98/68/14/537986814.db2.gz HYEDVRBFCLIWNZ-LLVKDONJSA-N 1 0 209.293 0.818 10 0 BCAERO CO[C@@H]1CC[C@H]2[NH2+]CCN(C(C)C)[C@@H]2N1 ZINC000669380343 537987000 /nfs/dbraw/zinc/98/70/00/537987000.db2.gz LNARVMDLPCEQJW-MXWKQRLJSA-N 1 0 213.325 0.351 10 0 BCAERO COC[C@@]1(C2CC2)[NH2+]CCc2ncn(C)c21 ZINC000725242801 537987634 /nfs/dbraw/zinc/98/76/34/537987634.db2.gz UIKDTHWUNOOZOL-LBPRGKRZSA-N 1 0 221.304 0.818 10 0 BCAERO O=C(c1ccc(Cl)o1)N1CC[NH2+]CC1 ZINC000020258056 347250464 /nfs/dbraw/zinc/25/04/64/347250464.db2.gz OCJDJUDLGMKLAU-UHFFFAOYSA-N 1 0 214.652 0.978 10 0 BCAERO CCCCOC[C@H](O)C[N@@H+]1CC[C@@H](C)[C@@H]1CO ZINC000310053817 347223651 /nfs/dbraw/zinc/22/36/51/347223651.db2.gz PNUVNUPCPZJRKC-UPJWGTAASA-N 1 0 245.363 0.867 10 0 BCAERO CCN1CCC[C@H]([NH2+][C@H](C)CC(N)=O)C1 ZINC000336756603 347237350 /nfs/dbraw/zinc/23/73/50/347237350.db2.gz ITJQIKOZOHALFL-ZJUUUORDSA-N 1 0 213.325 0.324 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)O1 ZINC000310199004 347241286 /nfs/dbraw/zinc/24/12/86/347241286.db2.gz ANASAFWQUBDFMC-WRWGMCAJSA-N 1 0 238.331 0.764 10 0 BCAERO Cc1cccc([C@H](O)CN2CC[NH2+]CC2)c1 ZINC000019785168 179202035 /nfs/dbraw/zinc/20/20/35/179202035.db2.gz XZSDZMCXTGIGKE-CYBMUJFWSA-N 1 0 220.316 0.934 10 0 BCAERO CC(C)(C)[S@](=O)[C@@H]1COCC[C@H]1[NH3+] ZINC000250597172 362811587 /nfs/dbraw/zinc/81/15/87/362811587.db2.gz SZZJVDFKPLKXSJ-OTPXZMOZSA-N 1 0 205.323 0.650 10 0 BCAERO CCOC(=O)[C@]1(N)CC[N@@H+]2CCC[C@H]2C1 ZINC000250670098 362815424 /nfs/dbraw/zinc/81/54/24/362815424.db2.gz LKZKGZYEHXTESO-ONGXEEELSA-N 1 0 212.293 0.505 10 0 BCAERO COC[C@H]([NH3+])C(=O)N(C)[C@H](C)C(C)(C)C ZINC000088003220 362819998 /nfs/dbraw/zinc/81/99/98/362819998.db2.gz IYODDCKXFICQKE-BDAKNGLRSA-N 1 0 216.325 0.853 10 0 BCAERO [NH3+][C@@H]1CCC[C@H]1NC(=O)[C@H]1CCCS1 ZINC000250644096 362814644 /nfs/dbraw/zinc/81/46/44/362814644.db2.gz ITWBSMUBHPKUPS-IWSPIJDZSA-N 1 0 214.334 0.878 10 0 BCAERO C[C@]1(C[NH2+][C@H]2COC[C@H]2O)CCCS1 ZINC000250789211 362820820 /nfs/dbraw/zinc/82/08/20/362820820.db2.gz HPBMQTBZNRULQX-IVZWLZJFSA-N 1 0 217.334 0.621 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)[C@H]1CCCO1 ZINC000166389173 136744598 /nfs/dbraw/zinc/74/45/98/136744598.db2.gz LKPIJOGNVKPXHW-LPEHRKFASA-N 1 0 212.293 0.409 10 0 BCAERO O=C1CC[C@H]([NH2+]CC[C@@H]2CCCO2)CCN1 ZINC000396635601 362826855 /nfs/dbraw/zinc/82/68/55/362826855.db2.gz FEQYWDPTJWJKGV-QWRGUYRKSA-N 1 0 226.320 0.814 10 0 BCAERO CN(C)[C@H]1CC[N@H+](CCC2(O)CCC2)C1 ZINC000396792440 362834785 /nfs/dbraw/zinc/83/47/85/362834785.db2.gz MDIBFFGJRKOTMM-NSHDSACASA-N 1 0 212.337 0.927 10 0 BCAERO O=C1CC[C@H]([NH2+]C[C@H]2CCCC[C@H]2O)CCN1 ZINC000396743717 362832801 /nfs/dbraw/zinc/83/28/01/362832801.db2.gz VRFYTUPBJVRNCF-GRYCIOLGSA-N 1 0 240.347 0.796 10 0 BCAERO Cc1ccccc1C(=O)N1CCN(CC[NH3+])CC1 ZINC000020181611 179247343 /nfs/dbraw/zinc/24/73/43/179247343.db2.gz AXYZRVOKEVJJJO-UHFFFAOYSA-N 1 0 247.342 0.712 10 0 BCAERO CCNC(=O)N[C@@H](C[NH3+])C(F)(F)C(F)(F)F ZINC000669380616 537990164 /nfs/dbraw/zinc/99/01/64/537990164.db2.gz RZEGRJOOPQIZBB-BYPYZUCNSA-N 1 0 249.183 0.830 10 0 BCAERO C[C@H]1CN(c2cc(F)ncn2)CC[N@@H+]1C ZINC000150088682 347602963 /nfs/dbraw/zinc/60/29/63/347602963.db2.gz JFGJWBLRWLFUFG-QMMMGPOBSA-N 1 0 210.256 0.756 10 0 BCAERO CSCCCCNC(=O)[C@@H]1C[NH2+]CCOC1 ZINC000591616718 347679183 /nfs/dbraw/zinc/67/91/83/347679183.db2.gz PPLUYLLXYCSXLY-SNVBAGLBSA-N 1 0 246.376 0.482 10 0 BCAERO COC[C@@]1(C(=O)NC[C@@H](C)SC)CCC[NH2+]1 ZINC000591631501 347681031 /nfs/dbraw/zinc/68/10/31/347681031.db2.gz TZZVVXCLADGYLN-MWLCHTKSSA-N 1 0 246.376 0.623 10 0 BCAERO Cc1ccccc1C[N@@H+]1CCC[C@](O)(C(N)=O)C1 ZINC000284728482 179274613 /nfs/dbraw/zinc/27/46/13/179274613.db2.gz CFDRYOAECBAMCO-CQSZACIVSA-N 1 0 248.326 0.807 10 0 BCAERO Cc1ccccc1CN1C[C@H](C[NH3+])OCC1=O ZINC000011884394 179276322 /nfs/dbraw/zinc/27/63/22/179276322.db2.gz NDCCRFRSHFPEDL-LBPRGKRZSA-N 1 0 234.299 0.681 10 0 BCAERO CSCCCNC(=O)[C@H]1C[NH2+]CCOC1 ZINC000591593267 347673830 /nfs/dbraw/zinc/67/38/30/347673830.db2.gz GLQLQUXNZNZAKZ-VIFPVBQESA-N 1 0 232.349 0.092 10 0 BCAERO CC[C@@H](O)C[N@H+](C)C[C@H]1CN(C)CCO1 ZINC000592391269 347771259 /nfs/dbraw/zinc/77/12/59/347771259.db2.gz QYXCDXXXGZIXQI-GHMZBOCLSA-N 1 0 216.325 0.020 10 0 BCAERO COCC(=O)N1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000616569746 347827420 /nfs/dbraw/zinc/82/74/20/347827420.db2.gz CTHCRVGUXYHMOY-BQBZGAKWSA-N 1 0 240.225 0.371 10 0 BCAERO Cc1ccccc1C[C@H](C)[NH2+][C@@H]1CC(=O)NC1=O ZINC000103034074 179291362 /nfs/dbraw/zinc/29/13/62/179291362.db2.gz PQCRHSOFBLLTKB-CMPLNLGQSA-N 1 0 246.310 0.931 10 0 BCAERO CN(C[C@@H]1CCCOC1)C(=O)[C@@H]1CC[NH2+]C1 ZINC000082545387 347792779 /nfs/dbraw/zinc/79/27/79/347792779.db2.gz ABGXYRVPPMCGTE-WDEREUQCSA-N 1 0 226.320 0.481 10 0 BCAERO C[NH2+]C1CCN(CCC(=O)OC)CC1 ZINC000308579285 347874891 /nfs/dbraw/zinc/87/48/91/347874891.db2.gz OHAKLTQQRSEOLT-UHFFFAOYSA-N 1 0 200.282 0.233 10 0 BCAERO CCC[C@@H]([NH3+])c1nnc2c(=O)n(C)ccn21 ZINC000616570073 347897644 /nfs/dbraw/zinc/89/76/44/347897644.db2.gz BRRADXZJOSKSMO-SSDOTTSWSA-N 1 0 221.264 0.228 10 0 BCAERO [NH3+]C[C@@H]1CCCN1C(=O)c1ccccc1O ZINC000082590100 347936693 /nfs/dbraw/zinc/93/66/93/347936693.db2.gz WFFFTBFQJHGHEE-VIFPVBQESA-N 1 0 220.272 0.956 10 0 BCAERO [NH3+]C[C@H]1CCCN1C(=O)c1ccccc1O ZINC000082590099 347936847 /nfs/dbraw/zinc/93/68/47/347936847.db2.gz WFFFTBFQJHGHEE-SECBINFHSA-N 1 0 220.272 0.956 10 0 BCAERO CC[C@H]([NH3+])C(=O)N[C@@H]1CCC[C@H](O)C1 ZINC000037001109 348000390 /nfs/dbraw/zinc/00/03/90/348000390.db2.gz YLQSBHPAQJCUNK-VGMNWLOBSA-N 1 0 200.282 0.143 10 0 BCAERO CC[C@H]([NH3+])C(=O)N[C@H]1CCC[C@H](O)C1 ZINC000037001111 348000989 /nfs/dbraw/zinc/00/09/89/348000989.db2.gz YLQSBHPAQJCUNK-CIUDSAMLSA-N 1 0 200.282 0.143 10 0 BCAERO Cc1ccccc1[C@@](C)(C(N)=O)N1CC[NH2+]CC1 ZINC000037951613 179331949 /nfs/dbraw/zinc/33/19/49/179331949.db2.gz OOXHFMBAHYSLNE-AWEZNQCLSA-N 1 0 247.342 0.601 10 0 BCAERO CC[C@H]1CCN(C(=O)CCOC)C[C@@H]1[NH3+] ZINC000616570484 348066870 /nfs/dbraw/zinc/06/68/70/348066870.db2.gz MWXKNTPTSDXQSS-UWVGGRQHSA-N 1 0 214.309 0.609 10 0 BCAERO O=C([C@@H]1CCOC1)N1CC[C@H]2[NH2+]CCC[C@H]21 ZINC000616570645 348079900 /nfs/dbraw/zinc/07/99/00/348079900.db2.gz HCTRJCIPLBIZRR-GMTAPVOTSA-N 1 0 224.304 0.376 10 0 BCAERO Cc1ccccc1[C@H](C[NH3+])N1CCC[C@@H]1C(N)=O ZINC000043034279 179342715 /nfs/dbraw/zinc/34/27/15/179342715.db2.gz NJVBMQVEONUEQA-OLZOCXBDSA-N 1 0 247.342 0.945 10 0 BCAERO C[NH2+][C@H](C)C(=O)NC1CCC(C(=O)OC)CC1 ZINC000594434963 348046576 /nfs/dbraw/zinc/04/65/76/348046576.db2.gz XPACGAPMODUAAF-XNWIYYODSA-N 1 0 242.319 0.442 10 0 BCAERO CC[C@@H]1CCN(C(=O)COC)C[C@@H]1[NH3+] ZINC000616570676 348079998 /nfs/dbraw/zinc/07/99/98/348079998.db2.gz NWKIBVRECADCTJ-BDAKNGLRSA-N 1 0 200.282 0.219 10 0 BCAERO Cc1cccnc1-c1nnnn1CC[NH3+] ZINC000043616984 179357665 /nfs/dbraw/zinc/35/76/65/179357665.db2.gz HTXPFLRJTDIADJ-UHFFFAOYSA-N 1 0 204.237 0.002 10 0 BCAERO COC[C@@H](C[N@@H+]1CCC[C@@H](C(=O)OC)C1)OC ZINC000595307679 348222979 /nfs/dbraw/zinc/22/29/79/348222979.db2.gz WTXZTKFWJPKXLC-GHMZBOCLSA-N 1 0 245.319 0.533 10 0 BCAERO C=CC(=O)N1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000616571279 348189892 /nfs/dbraw/zinc/18/98/92/348189892.db2.gz KJQQGHBKCVJBMG-BQBZGAKWSA-N 1 0 222.210 0.911 10 0 BCAERO Cc1cccnc1CNC(=O)[C@H]1C[NH2+]C[C@H]1C ZINC000104208024 179383046 /nfs/dbraw/zinc/38/30/46/179383046.db2.gz PBUPAHASPJWQEG-MNOVXSKESA-N 1 0 233.315 0.862 10 0 BCAERO C[C@@H](C(=O)[O-])[N@H+](C)[C@H]1CCC[NH+](C)CC1 ZINC000251557146 362885821 /nfs/dbraw/zinc/88/58/21/362885821.db2.gz PNOZGIUCSJTDIE-UWVGGRQHSA-N 1 0 214.309 0.876 10 0 BCAERO C[C@@H]1COCCN1C[C@H]1CSCC[NH2+]1 ZINC000251572343 362886927 /nfs/dbraw/zinc/88/69/27/362886927.db2.gz CBDRZEPTNUVNAX-ZJUUUORDSA-N 1 0 216.350 0.412 10 0 BCAERO C[C@@H]1CC[NH2+][C@@H]2CCOC[C@H]2[S@]1=O ZINC000251611490 362891846 /nfs/dbraw/zinc/89/18/46/362891846.db2.gz GYIRURNEIVIZPZ-LHGDZMGGSA-N 1 0 203.307 0.274 10 0 BCAERO C[C@H]1CCN(S(=O)(=O)C2CC2)C[C@H]1[NH3+] ZINC000251750800 362905791 /nfs/dbraw/zinc/90/57/91/362905791.db2.gz SGLWGVHXUIMAAW-IONNQARKSA-N 1 0 218.322 0.148 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)N2CCC[C@@H]2C[NH3+])O1 ZINC000088143146 362907419 /nfs/dbraw/zinc/90/74/19/362907419.db2.gz WSIOXZYNRDYCAR-OPRDCNLKSA-N 1 0 212.293 0.504 10 0 BCAERO C[C@H](CC[NH3+])N1C[C@H](C)CS1(=O)=O ZINC000251756455 362907713 /nfs/dbraw/zinc/90/77/13/362907713.db2.gz LOVYHPXWQPUHCU-JGVFFNPUSA-N 1 0 206.311 0.005 10 0 BCAERO C[C@H]1CSCCN1C[C@H]1COCC[NH2+]1 ZINC000251771777 362911911 /nfs/dbraw/zinc/91/19/11/362911911.db2.gz MLJVMYOUFPOONH-UWVGGRQHSA-N 1 0 216.350 0.412 10 0 BCAERO Cn1nncc1C[NH2+]CC[C@@H]1CCCO1 ZINC000129706552 490163118 /nfs/dbraw/zinc/16/31/18/490163118.db2.gz BIZPUFONVVCZCS-JTQLQIEISA-N 1 0 210.281 0.474 10 0 BCAERO CS[C@@H]1C[NH2+]C[C@@H]1N1CCOC[C@H]1C ZINC000251713796 362900674 /nfs/dbraw/zinc/90/06/74/362900674.db2.gz JOCRSVYDWSOYJE-KXUCPTDWSA-N 1 0 216.350 0.411 10 0 BCAERO CCSC1(CNC(=O)[C@H]2C[C@@H](O)C[NH2+]2)CC1 ZINC000595990788 348420735 /nfs/dbraw/zinc/42/07/35/348420735.db2.gz RTLSUSCQCKZSBP-RKDXNWHRSA-N 1 0 244.360 0.111 10 0 BCAERO Cc1ccnc(NC(=O)CN2CCC[NH2+]CC2)c1 ZINC000061269271 179436011 /nfs/dbraw/zinc/43/60/11/179436011.db2.gz IGCFQVZIJCUSLV-UHFFFAOYSA-N 1 0 248.330 0.624 10 0 BCAERO Cc1ccnc([S@@](=O)C[C@@H]2CCC[NH2+]C2)n1 ZINC000095069288 179469131 /nfs/dbraw/zinc/46/91/31/179469131.db2.gz ROBLJZRAZYVLGT-QLJPJBMISA-N 1 0 239.344 0.892 10 0 BCAERO Cc1ccnc([S@@](=O)C[C@H]2CCC[NH2+]C2)n1 ZINC000095069290 179469904 /nfs/dbraw/zinc/46/99/04/179469904.db2.gz ROBLJZRAZYVLGT-MGPLVRAMSA-N 1 0 239.344 0.892 10 0 BCAERO CCOC(=O)[C@H]1[C@H]2CC[C@@H](C[C@@H]1O)[N@@H+]2C ZINC000205484034 348532239 /nfs/dbraw/zinc/53/22/39/348532239.db2.gz ABDMBNAKYBUEEX-JXUBOQSCSA-N 1 0 213.277 0.393 10 0 BCAERO C[C@@H]([NH2+][C@@H]1CCS(=O)(=O)C1)C1(C)CC1 ZINC000037467564 348610348 /nfs/dbraw/zinc/61/03/48/348610348.db2.gz USIBXRGSGHDSHY-RKDXNWHRSA-N 1 0 217.334 0.952 10 0 BCAERO COC(=O)/C=C/C[C@H](C)[NH+]1CCOCC1 ZINC000198407372 348721725 /nfs/dbraw/zinc/72/17/25/348721725.db2.gz SYLUONVYRMXKOT-GFAPAMAISA-N 1 0 213.277 0.826 10 0 BCAERO CC[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O ZINC000214971853 323195197 /nfs/dbraw/zinc/19/51/97/323195197.db2.gz HQFKNUUSTSSIEQ-BDAKNGLRSA-N 1 0 230.308 0.576 10 0 BCAERO O[C@]1(C[NH2+]C2CCC2)CCNCC1(F)F ZINC000669383675 538010815 /nfs/dbraw/zinc/01/08/15/538010815.db2.gz WYJPCBSNHCTTPT-VIFPVBQESA-N 1 0 220.263 0.488 10 0 BCAERO C[C@H]1CCC[N@H+](CC[C@@H]([NH3+])C(=O)[O-])[C@H]1C ZINC000669383886 538013572 /nfs/dbraw/zinc/01/35/72/538013572.db2.gz ZZUVEDJTBZBBFV-LPEHRKFASA-N 1 0 214.309 0.909 10 0 BCAERO C[NH2+][C@H](C)C(=O)N(C)CCc1ccccn1 ZINC000054071824 348874651 /nfs/dbraw/zinc/87/46/51/348874651.db2.gz CFUCDJRFEKORAU-SNVBAGLBSA-N 1 0 221.304 0.690 10 0 BCAERO C[NH2+][C@H](C)C(=O)N[C@H](C)CC[NH+](C)C ZINC000054076650 348879544 /nfs/dbraw/zinc/87/95/44/348879544.db2.gz IBHYTXWPKVCYTA-RKDXNWHRSA-N 1 0 201.314 0.051 10 0 BCAERO COC(=O)[C@@H](C)NC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054308942 348975043 /nfs/dbraw/zinc/97/50/43/348975043.db2.gz RWYIEBRRYYIZMD-BDAKNGLRSA-N 1 0 228.292 0.054 10 0 BCAERO COC(=O)CCNC(=O)C[C@H]1CCC[NH2+]C1 ZINC000054308873 348975385 /nfs/dbraw/zinc/97/53/85/348975385.db2.gz MMUOPCWVUSIZFV-SECBINFHSA-N 1 0 228.292 0.055 10 0 BCAERO C[C@@H]1CC[C@H]([C@H]2CCC[NH2+]C2)[C@@H](C(=O)[O-])[NH2+]1 ZINC000669385230 538019388 /nfs/dbraw/zinc/01/93/88/538019388.db2.gz OWIVQEKZZPOTIX-YTWAJWBKSA-N 1 0 226.320 0.827 10 0 BCAERO C[C@@H]1CC[C@H](C2CC[NH2+]CC2)[C@H](C(=O)[O-])[NH2+]1 ZINC000669385252 538019547 /nfs/dbraw/zinc/01/95/47/538019547.db2.gz UJGGAHKIDBEBEA-FBIMIBRVSA-N 1 0 226.320 0.827 10 0 BCAERO COC[C@@H](C)CNC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054292426 348964119 /nfs/dbraw/zinc/96/41/19/348964119.db2.gz KNBOZKJUORJZQP-QWRGUYRKSA-N 1 0 228.336 0.775 10 0 BCAERO O=C(C1CCOCC1)N1CC[C@@H]2[NH2+]CCC[C@@H]21 ZINC000616573389 349069479 /nfs/dbraw/zinc/06/94/79/349069479.db2.gz YBDCXIQKIYVNQU-RYUDHWBXSA-N 1 0 238.331 0.766 10 0 BCAERO CN(C)CC(=O)Nc1cccnc1C[NH3+] ZINC000616574418 349078966 /nfs/dbraw/zinc/07/89/66/349078966.db2.gz ZPPPFASMMADEDA-UHFFFAOYSA-N 1 0 208.265 0.040 10 0 BCAERO C[NH2+][C@H](C)C(=O)NCc1ccc2c(c1)OCO2 ZINC000055421369 349094054 /nfs/dbraw/zinc/09/40/54/349094054.db2.gz PFZDUDBXDJERMC-MRVPVSSYSA-N 1 0 236.271 0.639 10 0 BCAERO CC[C@@H]1CC[NH2+]C[C@H]1NC(=O)CCOC ZINC000616572584 349061873 /nfs/dbraw/zinc/06/18/73/349061873.db2.gz WWRQGITXPGQQMI-NXEZZACHSA-N 1 0 214.309 0.527 10 0 BCAERO COCCC(=O)Nc1cccnc1C[NH3+] ZINC000616573168 349067417 /nfs/dbraw/zinc/06/74/17/349067417.db2.gz QMGOPNRFAYRUFU-UHFFFAOYSA-N 1 0 209.249 0.515 10 0 BCAERO C[C@H](CO)[NH2+][C@H]1CCCN2CCSC[C@H]12 ZINC000616577604 349115780 /nfs/dbraw/zinc/11/57/80/349115780.db2.gz JHLJMKVGOOPLOC-OUAUKWLOSA-N 1 0 230.377 0.537 10 0 BCAERO c1ccc(CN2CCN3CC[NH2+]C[C@H]3C2)cc1 ZINC000250637665 349177543 /nfs/dbraw/zinc/17/75/43/349177543.db2.gz BDJDGOJLRMBDOS-AWEZNQCLSA-N 1 0 231.343 0.776 10 0 BCAERO C[C@@H]1C[C@H](n2cc(S(C)(=O)=O)cn2)CC[NH2+]1 ZINC000725252199 538032199 /nfs/dbraw/zinc/03/21/99/538032199.db2.gz KKWOKDCUEIABIU-RKDXNWHRSA-N 1 0 243.332 0.600 10 0 BCAERO [NH3+]C[C@@H]1CCCN1C(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000251021468 349181862 /nfs/dbraw/zinc/18/18/62/349181862.db2.gz FCQAVULXACIZNP-UKKRHICBSA-N 1 0 208.305 0.982 10 0 BCAERO C[C@H]1CC[C@@H](n2cc(S(C)(=O)=O)cn2)C[NH2+]1 ZINC000725251907 538032348 /nfs/dbraw/zinc/03/23/48/538032348.db2.gz HTYLVAMLBJGZQE-DTWKUNHWSA-N 1 0 243.332 0.600 10 0 BCAERO CCCCCOCC(=O)NC[C@@H](C)[NH2+]C ZINC000261545255 535090680 /nfs/dbraw/zinc/09/06/80/535090680.db2.gz JSPGEIOOKMCMQO-SNVBAGLBSA-N 1 0 216.325 0.917 10 0 BCAERO CCc1cc(N2CCN(C)C[C@H]2C[NH3+])nc(C)n1 ZINC000250516158 349175234 /nfs/dbraw/zinc/17/52/34/349175234.db2.gz NRXQUBRWDHZFTM-GFCCVEGCSA-N 1 0 249.362 0.427 10 0 BCAERO C[C@H]([NH3+])CCNC(=O)[C@@H]1CC[C@H](C)O1 ZINC000251937629 349194170 /nfs/dbraw/zinc/19/41/70/349194170.db2.gz VULPCJMIMIFOAT-CIUDSAMLSA-N 1 0 200.282 0.407 10 0 BCAERO C[NH2+][C@H]1CC[C@@H](n2cc(S(C)(=O)=O)cn2)C1 ZINC000725252265 538033347 /nfs/dbraw/zinc/03/33/47/538033347.db2.gz LHJPKPVQGIXPLC-DTWKUNHWSA-N 1 0 243.332 0.600 10 0 BCAERO CS(=O)(=O)c1cnn(C[C@@H]2CCC[NH2+]2)c1 ZINC000725252224 538034080 /nfs/dbraw/zinc/03/40/80/538034080.db2.gz KSFMWRYTKOVCCN-QMMMGPOBSA-N 1 0 229.305 0.039 10 0 BCAERO CC[NH2+][C@@H](C)[C@H](C)n1cc(S(C)(=O)=O)cn1 ZINC000725253543 538037620 /nfs/dbraw/zinc/03/76/20/538037620.db2.gz WRZURWQIWKSVSW-IUCAKERBSA-N 1 0 245.348 0.846 10 0 BCAERO [NH2+]=C1N[C@@H](COCc2ccccc2)CO1 ZINC000059958423 349257322 /nfs/dbraw/zinc/25/73/22/349257322.db2.gz RKNBBACHUOTFHK-JTQLQIEISA-N 1 0 206.245 0.917 10 0 BCAERO CC(=O)NCc1nccnc1C1CC[NH2+]CC1 ZINC000616580663 349258866 /nfs/dbraw/zinc/25/88/66/349258866.db2.gz ZQFDRBZOURMSBL-UHFFFAOYSA-N 1 0 234.303 0.580 10 0 BCAERO CC(C)S(=O)(=O)CCN1CC[C@H]([C@H](C)[NH3+])C1 ZINC000261535198 535094432 /nfs/dbraw/zinc/09/44/32/535094432.db2.gz WEZUHLASTJCYOB-QWRGUYRKSA-N 1 0 248.392 0.479 10 0 BCAERO Cc1n[nH]cc1CN1CC[C@H]([NH+](C)C)C1 ZINC000289517120 179850679 /nfs/dbraw/zinc/85/06/79/179850679.db2.gz VCBOEDRPGKQSEU-NSHDSACASA-N 1 0 208.309 0.854 10 0 BCAERO CC[NH2+][C@H](C)[C@H](C)n1cc(S(C)(=O)=O)cn1 ZINC000725253541 538038116 /nfs/dbraw/zinc/03/81/16/538038116.db2.gz WRZURWQIWKSVSW-BDAKNGLRSA-N 1 0 245.348 0.846 10 0 BCAERO COC[C@H](C)[NH2+]Cc1ccc(C(=O)OC)cn1 ZINC000094759238 362945468 /nfs/dbraw/zinc/94/54/68/362945468.db2.gz VIWYWGDKIRMUFY-VIFPVBQESA-N 1 0 238.287 0.993 10 0 BCAERO Cc1ncc(C[NH2+]C[C@H]2CN(C)CCO2)o1 ZINC000397913719 362946671 /nfs/dbraw/zinc/94/66/71/362946671.db2.gz IYZBIDNUMZOEJU-NSHDSACASA-N 1 0 225.292 0.403 10 0 BCAERO COCCc1nc2c(n1C)[C@H]([NH3+])CCC2 ZINC000725253651 538039898 /nfs/dbraw/zinc/03/98/98/538039898.db2.gz VOSXSMMJSYJMJS-MRVPVSSYSA-N 1 0 209.293 0.945 10 0 BCAERO Cc1nc(C)c(CN2CC[NH2+]CC2)nc1C ZINC000028713628 179911346 /nfs/dbraw/zinc/91/13/46/179911346.db2.gz LWIIGNGSOUSWCH-UHFFFAOYSA-N 1 0 220.320 0.807 10 0 BCAERO [NH3+][C@@H]1CCCN(c2ncnc3c2CCC3)C1 ZINC000061277675 349373681 /nfs/dbraw/zinc/37/36/81/349373681.db2.gz IPAWUBRIOJWIBE-SECBINFHSA-N 1 0 218.304 0.893 10 0 BCAERO C[C@@H]1C[N@H+](CCCF)C[C@@H]1N1CCOCC1 ZINC000151613210 538046417 /nfs/dbraw/zinc/04/64/17/538046417.db2.gz PVHXROWIVMTXCY-NEPJUHHUSA-N 1 0 230.327 0.999 10 0 BCAERO C[C@@H]1CN(C(=O)[C@]2(C)CCC[NH2+]2)[C@H](C)CO1 ZINC000070618779 350032193 /nfs/dbraw/zinc/03/21/93/350032193.db2.gz SRBVPIJJHQIGEA-FOGDFJRCSA-N 1 0 226.320 0.764 10 0 BCAERO OC[C@@]1(Cc2ccccc2F)C[NH2+]CCO1 ZINC000616590788 350015548 /nfs/dbraw/zinc/01/55/48/350015548.db2.gz KVMPTQZXJFBQAK-GFCCVEGCSA-N 1 0 225.263 0.719 10 0 BCAERO C[C@H]1CCCN(c2ccc(C#N)nn2)[C@H]1C[NH3+] ZINC000396979053 350023373 /nfs/dbraw/zinc/02/33/73/350023373.db2.gz RBYKPGSHQANUBB-ONGXEEELSA-N 1 0 231.303 0.912 10 0 BCAERO C[NH2+]CCNc1cncc(OC(C)C)n1 ZINC000070580108 350024964 /nfs/dbraw/zinc/02/49/64/350024964.db2.gz UOJQTJWHIBYDJZ-UHFFFAOYSA-N 1 0 210.281 0.895 10 0 BCAERO C[C@@H]1CN(c2cc(C#N)cnn2)C[C@H]1[NH+](C)C ZINC000397003538 350034180 /nfs/dbraw/zinc/03/41/80/350034180.db2.gz VCFPSVIHOSEYGT-MWLCHTKSSA-N 1 0 231.303 0.735 10 0 BCAERO N#Cc1cnnc(N2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000397019521 350051379 /nfs/dbraw/zinc/05/13/79/350051379.db2.gz RGCDWDKVKCBDMN-NSHDSACASA-N 1 0 229.287 0.633 10 0 BCAERO [NH2+]=C(NC[C@H]1CCS(=O)(=O)C1)C1CC1 ZINC000062991135 350100711 /nfs/dbraw/zinc/10/07/11/350100711.db2.gz ZFKJEJPMSASTIU-SSDOTTSWSA-N 1 0 216.306 0.398 10 0 BCAERO Cc1nc(N2CCN(C)CC2)sc1C[NH3+] ZINC000054995348 180002128 /nfs/dbraw/zinc/00/21/28/180002128.db2.gz INIOSYSKIIGWOW-UHFFFAOYSA-N 1 0 226.349 0.662 10 0 BCAERO Cn1ccnc1CNC(=O)C[C@H]1CCC[NH2+]C1 ZINC000071276162 350096056 /nfs/dbraw/zinc/09/60/56/350096056.db2.gz JZGZNUWAQMVUHM-SNVBAGLBSA-N 1 0 236.319 0.426 10 0 BCAERO CCNC(=O)NC[C@H]([NH3+])[C@H]1CCCOC1 ZINC000725255368 538051836 /nfs/dbraw/zinc/05/18/36/538051836.db2.gz ZZWCYGMLXJUUIR-IUCAKERBSA-N 1 0 215.297 0.059 10 0 BCAERO COC[C@@H](C)[NH2+]C1CCN(CCO)CC1 ZINC000309178255 350120862 /nfs/dbraw/zinc/12/08/62/350120862.db2.gz NIHHVJKVETTYJI-SNVBAGLBSA-N 1 0 216.325 0.068 10 0 BCAERO OC[C@H]1C[C@@H](OC(F)(F)C(F)(F)F)C[NH2+]1 ZINC000091252405 191025493 /nfs/dbraw/zinc/02/54/93/191025493.db2.gz GTJVFIABTBXPGR-RFZPGFLSSA-N 1 0 235.152 0.881 10 0 BCAERO CN(c1cc(F)cc(C[NH3+])c1)S(C)(=O)=O ZINC000725255846 538054420 /nfs/dbraw/zinc/05/44/20/538054420.db2.gz OHJKQSLLRIESON-UHFFFAOYSA-N 1 0 232.280 0.680 10 0 BCAERO CC[C@H](NC(=O)C[C@H]([NH3+])C(C)C)C(=O)OC ZINC000303962250 350134631 /nfs/dbraw/zinc/13/46/31/350134631.db2.gz AITPPTZPENWYKG-IUCAKERBSA-N 1 0 230.308 0.428 10 0 BCAERO COc1ccc(C[NH3+])c2c1C[C@H](C(=O)[O-])[NH2+]C2 ZINC000725256186 538055613 /nfs/dbraw/zinc/05/56/13/538055613.db2.gz WBQOMEBCBPOBHC-SNVBAGLBSA-N 1 0 236.271 0.253 10 0 BCAERO CC(C)(C)[C@@H](O)C[NH2+]C[C@@H]1CCCS1(=O)=O ZINC000304246613 350150741 /nfs/dbraw/zinc/15/07/41/350150741.db2.gz POEDTKQHHGINCZ-UWVGGRQHSA-N 1 0 249.376 0.560 10 0 BCAERO Cc1nc2c(c(N(C)C)n1)CC[NH2+]CC2 ZINC000096094524 180068026 /nfs/dbraw/zinc/06/80/26/180068026.db2.gz RJIHKUZQYJHTFC-UHFFFAOYSA-N 1 0 206.293 0.539 10 0 BCAERO COC(=O)c1nnn(CC[NH3+])c1C1CCCC1 ZINC000725255669 538053631 /nfs/dbraw/zinc/05/36/31/538053631.db2.gz HQFFWNWYHCFPFL-UHFFFAOYSA-N 1 0 238.291 0.681 10 0 BCAERO O=C1NCC[C@H]1[NH2+]C[C@H]1CCSC1 ZINC000307259857 490343993 /nfs/dbraw/zinc/34/39/93/490343993.db2.gz CWHYWQVMDGLLNW-HTQZYQBOSA-N 1 0 200.307 0.218 10 0 BCAERO COC(=O)[C@@H]1Cc2[nH]c(N)[nH+]c2[C@@H](C)C1 ZINC000725256660 538057812 /nfs/dbraw/zinc/05/78/12/538057812.db2.gz AOAXSZUXLLBDRX-WDSKDSINSA-N 1 0 209.249 0.831 10 0 BCAERO Cc1nc2ccccc2n1C[C@@H]([NH3+])C(N)=O ZINC000045431294 180104480 /nfs/dbraw/zinc/10/44/80/180104480.db2.gz PZNYKUVIXCCXIT-MRVPVSSYSA-N 1 0 218.260 0.157 10 0 BCAERO C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1[C@@H](C)COC[C@@H]1C ZINC000563156783 350174504 /nfs/dbraw/zinc/17/45/04/350174504.db2.gz LJIYREAFFFCFFD-NAKRPEOUSA-N 1 0 226.320 0.620 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N[C@@H]1CO[C@@H](C)C1 ZINC000402333061 350179702 /nfs/dbraw/zinc/17/97/02/350179702.db2.gz OBUAUPSDFIWKOU-CIUDSAMLSA-N 1 0 200.282 0.407 10 0 BCAERO Cn1nccc1-c1c(C[NH3+])nnn1C(C)(C)C ZINC000725257276 538066008 /nfs/dbraw/zinc/06/60/08/538066008.db2.gz JLZRIMMOQVSFRS-UHFFFAOYSA-N 1 0 234.307 0.892 10 0 BCAERO Cc1nc[nH]c1C[NH2+][C@H]1CCCNC1=O ZINC000054797448 180121959 /nfs/dbraw/zinc/12/19/59/180121959.db2.gz ZEYXUHMGDVHINN-QMMMGPOBSA-N 1 0 208.265 0.086 10 0 BCAERO C[C@@H]1C[NH+](CCSC[C@H](O)CO)C[C@@H](C)O1 ZINC000314213660 350169085 /nfs/dbraw/zinc/16/90/85/350169085.db2.gz QHHPMKBQQPAGRY-GMTAPVOTSA-N 1 0 249.376 0.182 10 0 BCAERO C[C@H]1CN(C[C@@]2([NH3+])CCOC2)CCS1 ZINC000220970305 350192280 /nfs/dbraw/zinc/19/22/80/350192280.db2.gz VOOUOJQZMYZMQE-UWVGGRQHSA-N 1 0 216.350 0.542 10 0 BCAERO Cc1ncc(C[NH2+][C@@H](C)C(=O)NC(N)=O)s1 ZINC000040998165 180155337 /nfs/dbraw/zinc/15/53/37/180155337.db2.gz JLLDRFHMXKMWSD-YFKPBYRVSA-N 1 0 242.304 0.125 10 0 BCAERO [NH3+]C1(C(=O)N[C@@H]2CCCSC2)CCC1 ZINC000220741646 350183891 /nfs/dbraw/zinc/18/38/91/350183891.db2.gz WKERBEPSFSJGJT-MRVPVSSYSA-N 1 0 214.334 0.880 10 0 BCAERO Cc1nccc(N2CC[C@](C)(C[NH3+])C2)n1 ZINC000235971962 180194722 /nfs/dbraw/zinc/19/47/22/180194722.db2.gz IKLOONYXJXCZAH-LLVKDONJSA-N 1 0 206.293 0.960 10 0 BCAERO Cc1nccc(CN2CCC[NH2+]CC2)n1 ZINC000045007744 180183701 /nfs/dbraw/zinc/18/37/01/180183701.db2.gz GHADHVYRCXYWKX-UHFFFAOYSA-N 1 0 206.293 0.580 10 0 BCAERO Cc1nccc(CNC(=O)[C@@](C)([NH3+])C2CC2)n1 ZINC000038038090 180187257 /nfs/dbraw/zinc/18/72/57/180187257.db2.gz FSAJMLGTSUEBNJ-LBPRGKRZSA-N 1 0 234.303 0.529 10 0 BCAERO Cc1nccc(CNC(=O)[C@@H]2CC[C@H]([NH3+])C2)n1 ZINC000091539512 180187674 /nfs/dbraw/zinc/18/76/74/180187674.db2.gz RPRNTHUILQCKQA-ZJUUUORDSA-N 1 0 234.303 0.529 10 0 BCAERO C[C@H](O)C1CCN(C(=O)[C@@H]2CC[NH2+][C@@H]2C)CC1 ZINC000230190624 490388335 /nfs/dbraw/zinc/38/83/35/490388335.db2.gz YXCRCWUWPGKAAQ-JFGNBEQYSA-N 1 0 240.347 0.604 10 0 BCAERO Cc1ncccc1C[N@@H+]1CCC[C@](O)(C(N)=O)C1 ZINC000310804600 180219991 /nfs/dbraw/zinc/21/99/91/180219991.db2.gz FFLBTJCILRYFRG-CYBMUJFWSA-N 1 0 249.314 0.202 10 0 BCAERO [NH3+]C[C@@H]1CCCN1C(=O)CC[C@@H]1CCCO1 ZINC000083525661 350236830 /nfs/dbraw/zinc/23/68/30/350236830.db2.gz VOFBFPCPHRSDLK-QWRGUYRKSA-N 1 0 226.320 0.895 10 0 BCAERO CCN(C)C(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725258503 538075409 /nfs/dbraw/zinc/07/54/09/538075409.db2.gz QTCVGMWFXXLCRI-UHFFFAOYSA-N 1 0 223.280 0.511 10 0 BCAERO C/C=C/C(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725258967 538077810 /nfs/dbraw/zinc/07/78/10/538077810.db2.gz KQKNCLDFSPFSQU-NSCUHMNNSA-N 1 0 206.249 0.542 10 0 BCAERO C[NH2+][C@@H](CC(C)C)C(=O)N(C)C(C)=O ZINC000223680752 350284182 /nfs/dbraw/zinc/28/41/82/350284182.db2.gz OWJZCAWOJHAXPY-VIFPVBQESA-N 1 0 200.282 0.625 10 0 BCAERO Cc1nccnc1N(C)C[C@@H]1CC[NH2+]C1 ZINC000095071238 180274696 /nfs/dbraw/zinc/27/46/96/180274696.db2.gz CKUUZHTYSRNLKG-SNVBAGLBSA-N 1 0 206.293 0.831 10 0 BCAERO C[C@@H]1CCC[N@H+](CC[C@H]([NH3+])C(=O)[O-])[C@H]1C ZINC000252231876 538086474 /nfs/dbraw/zinc/08/64/74/538086474.db2.gz ZZUVEDJTBZBBFV-UTLUCORTSA-N 1 0 214.309 0.909 10 0 BCAERO COC1(OC)CC[C@@H](O)C[C@H]1CC[NH3+] ZINC000725261660 538086963 /nfs/dbraw/zinc/08/69/63/538086963.db2.gz AOSFZDBTPGLOQA-RKDXNWHRSA-N 1 0 203.282 0.485 10 0 BCAERO CS(=O)(=O)C[C@@H]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000725261702 538087274 /nfs/dbraw/zinc/08/72/74/538087274.db2.gz DADDTTHNDVLWOC-OPRDCNLKSA-N 1 0 217.334 0.809 10 0 BCAERO Cc1nccn1C[C@@H]1CCC[N@H+]1[C@@H](C)C(N)=O ZINC000178333764 180265922 /nfs/dbraw/zinc/26/59/22/180265922.db2.gz JKKAESDHJJFTBK-ONGXEEELSA-N 1 0 236.319 0.530 10 0 BCAERO COC1(OC)CC[C@H](CO)C[C@@H]1CC[NH3+] ZINC000725261999 538088016 /nfs/dbraw/zinc/08/80/16/538088016.db2.gz QGEBESZPDAQJCW-UWVGGRQHSA-N 1 0 217.309 0.733 10 0 BCAERO Cc1nccnc1S(=O)(=O)C[C@H]1CCC[NH2+]1 ZINC000095068748 180279949 /nfs/dbraw/zinc/27/99/49/180279949.db2.gz OLCSFSQLBHNECB-SECBINFHSA-N 1 0 241.316 0.311 10 0 BCAERO Cc1nccnc1[S@@](=O)[C@H]1CC[NH2+]C1 ZINC000095068779 180283067 /nfs/dbraw/zinc/28/30/67/180283067.db2.gz IHDXXSHVTNBVTC-RMLUDKJBSA-N 1 0 211.290 0.255 10 0 BCAERO Cc1nccnc1[S@@](=O)C[C@H]1CCC[NH2+]C1 ZINC000095068797 180284310 /nfs/dbraw/zinc/28/43/10/180284310.db2.gz UFMDNADIPVDCIE-MGPLVRAMSA-N 1 0 239.344 0.892 10 0 BCAERO C[NH+](C)C[C@@H](O)CNCc1ccccc1 ZINC000037873794 350289967 /nfs/dbraw/zinc/28/99/67/350289967.db2.gz ZSHMFQSKNUKREM-LBPRGKRZSA-N 1 0 208.305 0.699 10 0 BCAERO CC(C)(C)[C@H](O)C[NH2+]CC(=O)NCC1CC1 ZINC000324347185 350293392 /nfs/dbraw/zinc/29/33/92/350293392.db2.gz ODUJHIMABLZXLP-SNVBAGLBSA-N 1 0 228.336 0.509 10 0 BCAERO CC(C)(C)[C@H](O)C[NH2+]C[C@@H](O)COCC1CC1 ZINC000324237562 350293899 /nfs/dbraw/zinc/29/38/99/350293899.db2.gz AGXSLUXIVBNNBH-VXGBXAGGSA-N 1 0 245.363 0.771 10 0 BCAERO Cc1ncoc1C(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000132784917 180301242 /nfs/dbraw/zinc/30/12/42/180301242.db2.gz KSWAEMKNRFFFGW-IUCAKERBSA-N 1 0 223.276 0.840 10 0 BCAERO CCOC[C@@H](C[NH3+])Oc1ccc(F)cn1 ZINC000225247645 350356056 /nfs/dbraw/zinc/35/60/56/350356056.db2.gz KPUMCTWECQORQQ-SECBINFHSA-N 1 0 214.240 0.963 10 0 BCAERO C[C@](O)(C[NH3+])C(F)(F)Br ZINC000225661519 350369132 /nfs/dbraw/zinc/36/91/32/350369132.db2.gz PWQJOQMTJWHCIL-VKHMYHEASA-N 1 0 204.014 0.684 10 0 BCAERO Cc1nn(-c2ccncn2)c(C)c1C[NH3+] ZINC000082639326 180330544 /nfs/dbraw/zinc/33/05/44/180330544.db2.gz POMSIPTZWNGTDL-UHFFFAOYSA-N 1 0 203.249 0.738 10 0 BCAERO C[NH2+][C@H](C)C(=O)N[C@@H]1COc2ccccc2C1 ZINC000328325995 350394387 /nfs/dbraw/zinc/39/43/87/350394387.db2.gz IBRJXTDBQDQIOF-KOLCDFICSA-N 1 0 234.299 0.714 10 0 BCAERO CCN1CCO[C@@H](C[NH2+]Cc2cnc(C)o2)C1 ZINC000397929563 362955138 /nfs/dbraw/zinc/95/51/38/362955138.db2.gz CUDRMFUTPUSGLW-LBPRGKRZSA-N 1 0 239.319 0.793 10 0 BCAERO Cc1nn(C)c(C)c1NC(=O)[C@@H]1CCC[NH2+]1 ZINC000040856937 180344114 /nfs/dbraw/zinc/34/41/14/180344114.db2.gz OMGBLPUXSKKDKN-VIFPVBQESA-N 1 0 222.292 0.727 10 0 BCAERO Cc1nn(C)c(C)c1[C@@H]1[C@@H](C[NH3+])CC(=O)N1C ZINC000328579419 180347968 /nfs/dbraw/zinc/34/79/68/180347968.db2.gz HBSGPEVWESZUHC-SKDRFNHKSA-N 1 0 236.319 0.515 10 0 BCAERO Cc1nn(C)c(C)c1[C@H](C)[NH2+]CC(N)=O ZINC000045166819 180348899 /nfs/dbraw/zinc/34/88/99/180348899.db2.gz VPUOSWKUYHGKOH-LURJTMIESA-N 1 0 210.281 0.173 10 0 BCAERO Cc1nn(C)c(N[C@@H]2CC[N@@H+]3CCC[C@H]23)c1N ZINC000049564658 180359438 /nfs/dbraw/zinc/35/94/38/180359438.db2.gz ZHBCPXZIVHGIGN-NXEZZACHSA-N 1 0 235.335 0.959 10 0 BCAERO Cc1nn(C)c(C)c1CN1CCC[C@H]1C[NH3+] ZINC000020315816 180337358 /nfs/dbraw/zinc/33/73/58/180337358.db2.gz JFEICHMSVLKVHB-NSHDSACASA-N 1 0 222.336 0.960 10 0 BCAERO Cc1nn(C)c(N[C@H]2CCC[N@H+](C)C2)c1N ZINC000040715803 180360734 /nfs/dbraw/zinc/36/07/34/180360734.db2.gz SQOQKYFCJCEINY-VIFPVBQESA-N 1 0 223.324 0.817 10 0 BCAERO CC[C@@H]1C[C@@]2(CCO1)OC[C@@H](C[NH3+])O2 ZINC000226772043 350453684 /nfs/dbraw/zinc/45/36/84/350453684.db2.gz BKGVAYFDXKWANK-BBBLOLIVSA-N 1 0 201.266 0.646 10 0 BCAERO Cc1nccn1CC[N@@H+]1CC[C@H](CCO)C1 ZINC000162895759 350456858 /nfs/dbraw/zinc/45/68/58/350456858.db2.gz CTPZHUYGVQCEKY-GFCCVEGCSA-N 1 0 223.320 0.896 10 0 BCAERO Cc1nccn1CC[N@@H+]1CC[C@@H](CCO)C1 ZINC000162895888 350456978 /nfs/dbraw/zinc/45/69/78/350456978.db2.gz CTPZHUYGVQCEKY-LBPRGKRZSA-N 1 0 223.320 0.896 10 0 BCAERO Nc1cccc(CCN2CC[NH2+]CC2)c1 ZINC000041138928 350464742 /nfs/dbraw/zinc/46/47/42/350464742.db2.gz YTSYUYHSNBYTPS-UHFFFAOYSA-N 1 0 205.305 0.717 10 0 BCAERO Cc1cc(C)nc(-c2cnnn2C2C[NH2+]C2)n1 ZINC000725266022 538094173 /nfs/dbraw/zinc/09/41/73/538094173.db2.gz GGCZASNKEOPZMC-UHFFFAOYSA-N 1 0 230.275 0.496 10 0 BCAERO Cc1nn(CC[C@](C)([NH3+])C(N)=O)c(C)c1Cl ZINC000050588384 180388514 /nfs/dbraw/zinc/38/85/14/180388514.db2.gz KQYJNJNKFUCGTA-JTQLQIEISA-N 1 0 244.726 0.746 10 0 BCAERO C[C@@H](C[NH3+])N[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000227585110 350501936 /nfs/dbraw/zinc/50/19/36/350501936.db2.gz RYKBUFAFXWVOBT-VHSXEESVSA-N 1 0 243.351 0.933 10 0 BCAERO Cc1nn(CCn2cccn2)c(C)c1C[NH3+] ZINC000049326221 180389770 /nfs/dbraw/zinc/38/97/70/180389770.db2.gz DLHXUOYHPBTSAO-UHFFFAOYSA-N 1 0 219.292 0.855 10 0 BCAERO Cc1nn(C[C@@H](O)C[NH3+])c(C)c1Br ZINC000050593132 180390357 /nfs/dbraw/zinc/39/03/57/180390357.db2.gz WCUSHIURUOAFOL-ZETCQYMHSA-N 1 0 248.124 0.582 10 0 BCAERO Cc1nn(C[C@@](C)([NH3+])C(N)=O)c(C)c1Cl ZINC000050588311 180390428 /nfs/dbraw/zinc/39/04/28/180390428.db2.gz MYNZNHIJIPYDBI-SECBINFHSA-N 1 0 230.699 0.356 10 0 BCAERO CCOC(=O)c1n[nH]nc1[C@@H]1CC[NH2+][C@@H]1CC ZINC000725266485 538094946 /nfs/dbraw/zinc/09/49/46/538094946.db2.gz COCWPHKHOZGLAC-HTQZYQBOSA-N 1 0 238.291 0.837 10 0 BCAERO Cc1nnc(CN2CCCC[C@H]2C[NH3+])n1C ZINC000044557506 180407127 /nfs/dbraw/zinc/40/71/27/180407127.db2.gz FRQFIGMLAAYSPY-JTQLQIEISA-N 1 0 223.324 0.437 10 0 BCAERO Cc1nnc(C[NH2+]C[C@H]2CCCCO2)n1C ZINC000042819961 180412755 /nfs/dbraw/zinc/41/27/55/180412755.db2.gz DKVNSFQCBIOQHM-SNVBAGLBSA-N 1 0 224.308 0.782 10 0 BCAERO C[C@@H]([NH3+])CCNc1ccnc(C(N)=O)c1 ZINC000063171609 350574444 /nfs/dbraw/zinc/57/44/44/350574444.db2.gz OYWBZZURRTZKDS-SSDOTTSWSA-N 1 0 208.265 0.330 10 0 BCAERO Cc1nnc(COC[C@H]2CCC[NH2+]C2)o1 ZINC000051815193 180415553 /nfs/dbraw/zinc/41/55/53/180415553.db2.gz FXSKBJFXMOLLQY-VIFPVBQESA-N 1 0 211.265 0.894 10 0 BCAERO CCOC(=O)c1n[nH]nc1[C@@H]1CC[NH2+]C[C@H]1C ZINC000725266614 538096479 /nfs/dbraw/zinc/09/64/79/538096479.db2.gz VAKCYZYNRDEUTA-HTQZYQBOSA-N 1 0 238.291 0.694 10 0 BCAERO CC(C)(C)OC(=O)N1CCC[C@@H]([NH3+])[C@@H](O)C1 ZINC000142828580 191112530 /nfs/dbraw/zinc/11/25/30/191112530.db2.gz YLLLNYLAZHPCNH-BDAKNGLRSA-N 1 0 230.308 0.706 10 0 BCAERO OCC[N@@H+]1CCO[C@H](c2ccccn2)CC1 ZINC000616594901 350595980 /nfs/dbraw/zinc/59/59/80/350595980.db2.gz UAOINIOMYOANOG-LBPRGKRZSA-N 1 0 222.288 0.837 10 0 BCAERO CCn1ncnc1-c1cnnn1C1CC[NH2+]CC1 ZINC000725266190 538096216 /nfs/dbraw/zinc/09/62/16/538096216.db2.gz VFWMLKXGYRUJAS-UHFFFAOYSA-N 1 0 247.306 0.481 10 0 BCAERO C[C@@H]1CCCN(c2ccc3nncn3n2)[C@@H]1C[NH3+] ZINC000420193041 192173353 /nfs/dbraw/zinc/17/33/53/192173353.db2.gz TXSTZSXOGKZOTC-NXEZZACHSA-N 1 0 246.318 0.688 10 0 BCAERO Nc1ncccc1[C@H]1COCCCN1CC[NH3+] ZINC000616597253 350650230 /nfs/dbraw/zinc/65/02/30/350650230.db2.gz OPTIHVSBQWXFHT-LLVKDONJSA-N 1 0 236.319 0.386 10 0 BCAERO CC(C)S(=O)(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000232677300 350663897 /nfs/dbraw/zinc/66/38/97/350663897.db2.gz CZCUMDCZUWOIMM-DTWKUNHWSA-N 1 0 220.338 0.455 10 0 BCAERO [NH3+]CCN1CCCO[C@@H](c2cc[nH]n2)C1 ZINC000616599046 350705602 /nfs/dbraw/zinc/70/56/02/350705602.db2.gz QHTNLFQBWBXOAD-SNVBAGLBSA-N 1 0 210.281 0.132 10 0 BCAERO OCC[NH+]1CCC(NCc2nccs2)CC1 ZINC000309536450 350707628 /nfs/dbraw/zinc/70/76/28/350707628.db2.gz XDEDCCDYTXSXAA-UHFFFAOYSA-N 1 0 241.360 0.689 10 0 BCAERO [NH3+]CCN1CCOCC[C@@H]1c1cncnc1 ZINC000616598965 350696563 /nfs/dbraw/zinc/69/65/63/350696563.db2.gz MRFGYPMVKSEQGL-LLVKDONJSA-N 1 0 222.292 0.199 10 0 BCAERO Cn1nnc(Br)c1[C@@H]1CC[C@H]1[NH3+] ZINC000236124983 350730007 /nfs/dbraw/zinc/73/00/07/350730007.db2.gz ZAZFBFSWISIGKO-RFZPGFLSSA-N 1 0 231.097 0.782 10 0 BCAERO CCNC(=S)N1CC[C@@H]([NH+](C)C)[C@@H]1C ZINC000306674844 350824369 /nfs/dbraw/zinc/82/43/69/350824369.db2.gz RIQDXWTZIXAGMD-DTWKUNHWSA-N 1 0 215.366 0.905 10 0 BCAERO [NH3+]C[C@@H]1CN([C@H]2CCSC2)CCO1 ZINC000159506465 350814281 /nfs/dbraw/zinc/81/42/81/350814281.db2.gz NLSAGQUQOXIPOZ-DTWKUNHWSA-N 1 0 202.323 0.151 10 0 BCAERO OCC[N@@H+]1CCCC[C@H](n2ccnc2)C1 ZINC000616603161 350789148 /nfs/dbraw/zinc/78/91/48/350789148.db2.gz BRKZYRWCSJAQMN-NSHDSACASA-N 1 0 209.293 0.902 10 0 BCAERO Nc1ccccc1[C@@H]1CN(CCO)CC[NH2+]1 ZINC000616602547 350791629 /nfs/dbraw/zinc/79/16/29/350791629.db2.gz LMSXJOHOHNNZFJ-LBPRGKRZSA-N 1 0 221.304 0.207 10 0 BCAERO [NH3+]CCN1CCCC[C@H](c2ncc[nH]2)C1 ZINC000616604467 350793198 /nfs/dbraw/zinc/79/31/98/350793198.db2.gz PRAKFAKRTFAZEF-JTQLQIEISA-N 1 0 208.309 0.938 10 0 BCAERO CN1CC[NH2+]C[C@H]1c1ccccc1CO ZINC000616605113 350794173 /nfs/dbraw/zinc/79/41/73/350794173.db2.gz SLWQXUWGUAZZPK-LBPRGKRZSA-N 1 0 206.289 0.755 10 0 BCAERO COC(=O)[C@H]1CCCCN(CC[NH3+])C1 ZINC000616605331 350795048 /nfs/dbraw/zinc/79/50/48/350795048.db2.gz YOYDNQOIFHCTOC-VIFPVBQESA-N 1 0 200.282 0.220 10 0 BCAERO OCC[N@@H+]1CCCC[C@H](c2cc[nH]n2)C1 ZINC000616603942 350795708 /nfs/dbraw/zinc/79/57/08/350795708.db2.gz KMIJFIQJTMVESP-JTQLQIEISA-N 1 0 209.293 0.972 10 0 BCAERO Nc1ncccc1[C@H]1CCCN1CC[NH3+] ZINC000616606743 350798138 /nfs/dbraw/zinc/79/81/38/350798138.db2.gz FHFQHJBRTKGBEB-SNVBAGLBSA-N 1 0 206.293 0.759 10 0 BCAERO [NH3+]CCN1CC[C@H](c2cccc(CO)c2)C1 ZINC000616611078 350810080 /nfs/dbraw/zinc/81/00/80/350810080.db2.gz AKOIFGBYLZLVOQ-ZDUSSCGKSA-N 1 0 220.316 0.927 10 0 BCAERO [NH3+]CCN1CCCC[C@@H]1c1ccnnc1 ZINC000616614253 350830256 /nfs/dbraw/zinc/83/02/56/350830256.db2.gz BGZZXEFCLNAUKC-LLVKDONJSA-N 1 0 206.293 0.962 10 0 BCAERO OCC[N@@H+]1CCCC[C@@H]1c1cncnc1 ZINC000616614522 350834887 /nfs/dbraw/zinc/83/48/87/350834887.db2.gz TZLVODYGVBMREH-LLVKDONJSA-N 1 0 207.277 0.996 10 0 BCAERO CSCc1nc([C@H]2C[NH2+]CCO2)no1 ZINC000159519888 350837297 /nfs/dbraw/zinc/83/72/97/350837297.db2.gz FKRPTRFPURDYDS-ZCFIWIBFSA-N 1 0 215.278 0.594 10 0 BCAERO CC(C)([NH3+])C1(CCO)COCCOC1 ZINC000306701936 350851267 /nfs/dbraw/zinc/85/12/67/350851267.db2.gz HEYPFFFHYQYAQU-UHFFFAOYSA-N 1 0 203.282 0.139 10 0 BCAERO Cc1nn(C)cc1C(=O)[C@H]1C[NH2+]C[C@H]1C ZINC000306704592 350851989 /nfs/dbraw/zinc/85/19/89/350851989.db2.gz JPNYWCSNIDSPNW-APPZFPTMSA-N 1 0 207.277 0.767 10 0 BCAERO [NH3+]C1(C(=O)Nc2cc(Cl)[nH]n2)CC1 ZINC000306710493 350859378 /nfs/dbraw/zinc/85/93/78/350859378.db2.gz MXTWECBHMNSQQD-UHFFFAOYSA-N 1 0 200.629 0.493 10 0 BCAERO CC[C@@H]1C[S@](=O)[C@H]2COCC[C@@H]2[NH2+]1 ZINC000251779380 350903372 /nfs/dbraw/zinc/90/33/72/350903372.db2.gz MZQXBIGXGDTSMJ-LWIGBJQBSA-N 1 0 203.307 0.274 10 0 BCAERO NC(=O)c1cccc(C2CC[NH+](CCO)CC2)c1 ZINC000616620374 350939661 /nfs/dbraw/zinc/93/96/61/350939661.db2.gz YBENAXYMKPRZLV-UHFFFAOYSA-N 1 0 248.326 0.957 10 0 BCAERO CCOC(=O)CNC(=O)C[C@H]([NH3+])C(C)C ZINC000128948541 350909243 /nfs/dbraw/zinc/90/92/43/350909243.db2.gz VVNRGZYNRGPQCV-QMMMGPOBSA-N 1 0 216.281 0.039 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)N2CC[C@H]([NH3+])C[C@H]2C)O1 ZINC000252682513 350913983 /nfs/dbraw/zinc/91/39/83/350913983.db2.gz CGWZXXMAXSYPNV-CHWFTXMASA-N 1 0 226.320 0.892 10 0 BCAERO CC[S@](=O)N1C[C@@H]2C[NH2+]C[C@H]2[C@H]1C ZINC000306744428 350932937 /nfs/dbraw/zinc/93/29/37/350932937.db2.gz IIQRZYHUGXARBK-LWIGBJQBSA-N 1 0 202.323 0.210 10 0 BCAERO NC(=O)c1ccc([C@H]2CCCN(CC[NH3+])C2)cc1 ZINC000616620120 350933566 /nfs/dbraw/zinc/93/35/66/350933566.db2.gz FSLQDNUFEKSTJN-ZDUSSCGKSA-N 1 0 247.342 0.924 10 0 BCAERO [NH3+]CCN(Cc1ccccc1)[C@@H]1COC[C@H]1O ZINC000306748413 350934280 /nfs/dbraw/zinc/93/42/80/350934280.db2.gz KZYGUGTXYLNLPR-CHWSQXEVSA-N 1 0 236.315 0.207 10 0 BCAERO CCOC(=O)[C@@]1(O)CC[N@@H+]2CCC[C@H]2C1 ZINC000250671200 350885002 /nfs/dbraw/zinc/88/50/02/350885002.db2.gz MGRXSOKQJPJERU-GXSJLCMTSA-N 1 0 213.277 0.539 10 0 BCAERO O=C1c2ccccc2C(=O)N1[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000250849999 350887360 /nfs/dbraw/zinc/88/73/60/350887360.db2.gz LIZXDOZBTFYTQN-URLYPYJESA-N 1 0 228.251 0.500 10 0 BCAERO CC(C)S(=O)(=O)N1C[C@H]([NH3+])C[C@@H]1C ZINC000306721992 350889500 /nfs/dbraw/zinc/88/95/00/350889500.db2.gz PHQLQCKNKSJEQP-JGVFFNPUSA-N 1 0 206.311 0.146 10 0 BCAERO O=C(C(F)F)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000306724168 350892993 /nfs/dbraw/zinc/89/29/93/350892993.db2.gz IGGWWLNRDZTRBF-RQJHMYQMSA-N 1 0 204.220 0.462 10 0 BCAERO Cn1nncc1C(=O)[C@@H]1CCCCC[NH2+]1 ZINC000129195947 351007275 /nfs/dbraw/zinc/00/72/75/351007275.db2.gz VIBMYNNZTORWKC-QMMMGPOBSA-N 1 0 208.265 0.530 10 0 BCAERO OC[C@]12C[NH2+]C[C@@H]1CN(Cc1ccccc1)C2 ZINC000306761912 350988539 /nfs/dbraw/zinc/98/85/39/350988539.db2.gz GHZDSTSBLWNSOD-ZIAGYGMSSA-N 1 0 232.327 0.700 10 0 BCAERO Cn1nncc1C(=O)C[C@@H]1CSCC[NH2+]1 ZINC000129203721 351009448 /nfs/dbraw/zinc/00/94/48/351009448.db2.gz HHVJAYIMFSMQHE-SSDOTTSWSA-N 1 0 226.305 0.093 10 0 BCAERO O[C@@H]1CCC[C@@H]1SC1=[NH+]CCCN1 ZINC000306787476 351038015 /nfs/dbraw/zinc/03/80/15/351038015.db2.gz QPMGEKLOWFMHOA-SFYZADRCSA-N 1 0 200.307 0.982 10 0 BCAERO CC1(C)CCCN1S(=O)(=O)CC[NH3+] ZINC000063067437 351046324 /nfs/dbraw/zinc/04/63/24/351046324.db2.gz JFSDINJMQARZQY-UHFFFAOYSA-N 1 0 206.311 0.149 10 0 BCAERO Cn1ncc(Br)c1[C@H]1C[C@@H]1[NH3+] ZINC000306797061 351052861 /nfs/dbraw/zinc/05/28/61/351052861.db2.gz XMPQNGXASXBRBY-NJGYIYPDSA-N 1 0 216.082 0.997 10 0 BCAERO Cc1sc(=O)n(CCN2CC[NH2+]CC2)c1C ZINC000070915248 180556727 /nfs/dbraw/zinc/55/67/27/180556727.db2.gz NYGXPEQIYXCOPU-UHFFFAOYSA-N 1 0 241.360 0.432 10 0 BCAERO CC(C)[S@@](=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000306771269 351013537 /nfs/dbraw/zinc/01/35/37/351013537.db2.gz CGKOAUYORGIVBY-PYSJYSNASA-N 1 0 216.350 0.931 10 0 BCAERO NC(=[NH2+])N[C@@H](CO)c1ccc(Br)o1 ZINC000306778384 351013979 /nfs/dbraw/zinc/01/39/79/351013979.db2.gz OSFXVHBSOJUNOS-BYPYZUCNSA-N 1 0 248.080 0.559 10 0 BCAERO CN1CCCN(C)[C@H](C2=NC(=O)CS2)C1 ZINC000306810486 351065013 /nfs/dbraw/zinc/06/50/13/351065013.db2.gz USJJUWGGAROIIM-QMMMGPOBSA-N 1 0 227.333 0.294 10 0 BCAERO [NH3+]CCN1CCC[C@H](c2cnno2)CC1 ZINC000616630501 351103486 /nfs/dbraw/zinc/10/34/86/351103486.db2.gz ZOMMVAAQTXLKSU-VIFPVBQESA-N 1 0 210.281 0.598 10 0 BCAERO OCC[N@@H+]1CCC[C@H](c2conn2)CC1 ZINC000616626983 351107207 /nfs/dbraw/zinc/10/72/07/351107207.db2.gz HERHGGBBMXSTEU-VIFPVBQESA-N 1 0 211.265 0.631 10 0 BCAERO CCN1CC[NH2+][C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000616631682 351109105 /nfs/dbraw/zinc/10/91/05/351109105.db2.gz AZYVJDTUTZSLMG-JTQLQIEISA-N 1 0 243.351 0.805 10 0 BCAERO CC[N@@H+]1CCN[C@@H](c2cccc(N)n2)C1 ZINC000616631901 351109486 /nfs/dbraw/zinc/10/94/86/351109486.db2.gz IIGLRTLVVLNKHH-SNVBAGLBSA-N 1 0 206.293 0.630 10 0 BCAERO OCCN1CC[NH2+][C@@H](c2cccc(CO)c2)C1 ZINC000616632543 351112438 /nfs/dbraw/zinc/11/24/38/351112438.db2.gz SXVDOXURNWWWBX-CYBMUJFWSA-N 1 0 236.315 0.118 10 0 BCAERO OCCN1CC[NH2+][C@H](c2cccnc2)C1 ZINC000616633918 351116389 /nfs/dbraw/zinc/11/63/89/351116389.db2.gz GXIXAOLOPOHXJA-NSHDSACASA-N 1 0 207.277 0.020 10 0 BCAERO NC(=O)N1CCN[C@H](c2cccnc2)C1 ZINC000616635079 351118767 /nfs/dbraw/zinc/11/87/67/351118767.db2.gz LDHZMBBGWCBRRT-VIFPVBQESA-N 1 0 206.249 0.107 10 0 BCAERO Cc1cc(CN(C)CC[N@H+](C)CCO)ccn1 ZINC000623576227 363007116 /nfs/dbraw/zinc/00/71/16/363007116.db2.gz MCYFFIFDNMRTDP-UHFFFAOYSA-N 1 0 237.347 0.746 10 0 BCAERO OCC[N@@H+]1CCC[C@@H](c2cnno2)CC1 ZINC000616629369 351100071 /nfs/dbraw/zinc/10/00/71/351100071.db2.gz WYXWWDANQVWKQX-SECBINFHSA-N 1 0 211.265 0.631 10 0 BCAERO Cc1nnsc1[C@@H]1OC[C@@H](C[NH3+])O1 ZINC000306838601 351148744 /nfs/dbraw/zinc/14/87/44/351148744.db2.gz XKRHOXYWBDPIIT-IYSWYEEDSA-N 1 0 201.251 0.219 10 0 BCAERO [NH3+][C@@H]1CSC[C@H]1Cc1cnsn1 ZINC000306843998 351158287 /nfs/dbraw/zinc/15/82/87/351158287.db2.gz DHCHYLWBEFUXCC-IYSWYEEDSA-N 1 0 201.320 0.771 10 0 BCAERO [NH3+]CCN1CCCOC[C@@H]1c1cnco1 ZINC000616645189 351166954 /nfs/dbraw/zinc/16/69/54/351166954.db2.gz HQPHZOCZWXJWGN-SECBINFHSA-N 1 0 211.265 0.397 10 0 BCAERO Nc1cccc([C@H]2CN(CC[NH3+])CCO2)c1 ZINC000616645338 351167927 /nfs/dbraw/zinc/16/79/27/351167927.db2.gz BJKDXVIXIWUHOJ-GFCCVEGCSA-N 1 0 221.304 0.601 10 0 BCAERO [NH3+]CCN1CCCOC[C@@H]1C(F)(F)F ZINC000616646140 351170406 /nfs/dbraw/zinc/17/04/06/351170406.db2.gz OJTZWHMTXCWMPA-SSDOTTSWSA-N 1 0 212.215 0.598 10 0 BCAERO [NH3+]CCN1CCCOC[C@H]1c1cncnc1 ZINC000616646113 351170710 /nfs/dbraw/zinc/17/07/10/351170710.db2.gz SYZZWVQJSCYPJA-NSHDSACASA-N 1 0 222.292 0.199 10 0 BCAERO [NH3+]CCN1CCO[C@H](c2ccccc2CO)C1 ZINC000616648536 351176248 /nfs/dbraw/zinc/17/62/48/351176248.db2.gz NLPOJPYQBTVMLK-ZDUSSCGKSA-N 1 0 236.315 0.511 10 0 BCAERO Nc1ccccc1[C@@H]1CN(CC[NH3+])CCO1 ZINC000616648604 351176595 /nfs/dbraw/zinc/17/65/95/351176595.db2.gz PCBLPQMGPSIUGA-LBPRGKRZSA-N 1 0 221.304 0.601 10 0 BCAERO C[C@@H]1C[S@@](=O)CCN1C[C@H]1CC[NH2+]C1 ZINC000306858168 351184384 /nfs/dbraw/zinc/18/43/84/351184384.db2.gz YZVMQRNSJFWWBT-BFVZDQMLSA-N 1 0 216.350 0.049 10 0 BCAERO O=S(=O)(c1ccccc1)[C@@H]1C[NH2+]CCCO1 ZINC000616652652 351185901 /nfs/dbraw/zinc/18/59/01/351185901.db2.gz MXEPEDZHYDWARI-LLVKDONJSA-N 1 0 241.312 0.796 10 0 BCAERO OCC[N@@H+]1CCCC[C@@H](c2ncc[nH]2)C1 ZINC000616652010 351190075 /nfs/dbraw/zinc/19/00/75/351190075.db2.gz CQQZXBYHXGSTKF-SNVBAGLBSA-N 1 0 209.293 0.972 10 0 BCAERO COC(=O)N1CC[NH2+]C[C@H]1c1ccc(N)cc1 ZINC000616636633 351127790 /nfs/dbraw/zinc/12/77/90/351127790.db2.gz WLCBFEVAGUUHPO-NSHDSACASA-N 1 0 235.287 0.982 10 0 BCAERO CC(C)N1CC[NH2+]C[C@H]1c1ccnnc1 ZINC000616636663 351128321 /nfs/dbraw/zinc/12/83/21/351128321.db2.gz GMXHFZNGGFHUJX-NSHDSACASA-N 1 0 206.293 0.831 10 0 BCAERO CC(C)N1CC[NH2+]C[C@@H]1c1cccnn1 ZINC000616636733 351129026 /nfs/dbraw/zinc/12/90/26/351129026.db2.gz BNOZPDXIIRIBAH-LLVKDONJSA-N 1 0 206.293 0.831 10 0 BCAERO Nc1cccc([C@H]2COCCN2CCO)c1 ZINC000616636922 351130340 /nfs/dbraw/zinc/13/03/40/351130340.db2.gz IBCHWRIBYNUZQM-GFCCVEGCSA-N 1 0 222.288 0.634 10 0 BCAERO CNc1ccc([C@@H]2C[NH2+]CCN2CCO)cc1 ZINC000616636985 351131364 /nfs/dbraw/zinc/13/13/64/351131364.db2.gz ZRNXHJYOAODERB-ZDUSSCGKSA-N 1 0 235.331 0.667 10 0 BCAERO Nc1cccc([C@H]2C[NH2+]CCN2CCO)c1 ZINC000616637346 351132394 /nfs/dbraw/zinc/13/23/94/351132394.db2.gz VWKNREHIOJMBFC-GFCCVEGCSA-N 1 0 221.304 0.207 10 0 BCAERO CC(C)(C)N1CC[NH2+]C[C@@H]1c1cn[nH]n1 ZINC000616637676 351135028 /nfs/dbraw/zinc/13/50/28/351135028.db2.gz QGLSQFJRKLFVLS-SECBINFHSA-N 1 0 209.297 0.550 10 0 BCAERO NC(=O)N1CC[NH2+]C[C@H]1c1ccc(F)cc1 ZINC000616637926 351136640 /nfs/dbraw/zinc/13/66/40/351136640.db2.gz AEBDGRKHIYCCDI-JTQLQIEISA-N 1 0 223.251 0.851 10 0 BCAERO CC(C)(C)N1CC[NH2+]C[C@@H]1c1cnno1 ZINC000616637955 351136852 /nfs/dbraw/zinc/13/68/52/351136852.db2.gz SXXWRRTZJKOWDS-MRVPVSSYSA-N 1 0 210.281 0.814 10 0 BCAERO CNc1cccc([C@@H]2C[NH2+]CCN2C(N)=O)c1 ZINC000616637962 351137025 /nfs/dbraw/zinc/13/70/25/351137025.db2.gz BAZHNISKUJGZRW-NSHDSACASA-N 1 0 234.303 0.753 10 0 BCAERO CN1CC[NH2+]C[C@H]1c1ccc(CCO)cc1 ZINC000616638011 351137613 /nfs/dbraw/zinc/13/76/13/351137613.db2.gz TYVIVNPJDKXITQ-ZDUSSCGKSA-N 1 0 220.316 0.798 10 0 BCAERO CC(=O)N1CC[NH2+]C[C@@H]1c1cccc(CO)c1 ZINC000616638107 351137877 /nfs/dbraw/zinc/13/78/77/351137877.db2.gz GTJNCXKOYQLZNM-CYBMUJFWSA-N 1 0 234.299 0.672 10 0 BCAERO CN1CC[NH2+]C[C@@H]1c1cccc(C(N)=O)c1 ZINC000616638336 351138890 /nfs/dbraw/zinc/13/88/90/351138890.db2.gz WFLLVXPFYHFHSF-LLVKDONJSA-N 1 0 219.288 0.362 10 0 BCAERO CC(=O)N1CC[NH2+]C[C@H]1c1cccc(N)c1 ZINC000616638743 351139574 /nfs/dbraw/zinc/13/95/74/351139574.db2.gz IYYOTODLKUGBNC-LBPRGKRZSA-N 1 0 219.288 0.762 10 0 BCAERO [NH3+]CCN1CCCO[C@@H](c2ncc[nH]2)C1 ZINC000616654871 351191651 /nfs/dbraw/zinc/19/16/51/351191651.db2.gz KRLVAFFMBFSKMS-SECBINFHSA-N 1 0 210.281 0.132 10 0 BCAERO CC(=O)N1CC[NH2+]C[C@@H]1c1cccc(CCO)c1 ZINC000616638879 351141904 /nfs/dbraw/zinc/14/19/04/351141904.db2.gz JWIQHRXKRUPMFC-CQSZACIVSA-N 1 0 248.326 0.714 10 0 BCAERO [NH3+]CCN1C[C@H](c2nn[nH]n2)Cc2ccccc21 ZINC000616672176 351235376 /nfs/dbraw/zinc/23/53/76/351235376.db2.gz KBHROABLIAISAM-SNVBAGLBSA-N 1 0 244.302 0.305 10 0 BCAERO [NH3+]CCN1CC[C@H](CO)c2ccccc21 ZINC000616674360 351238698 /nfs/dbraw/zinc/23/86/98/351238698.db2.gz DYWBTENOVPUQEP-SNVBAGLBSA-N 1 0 206.289 0.931 10 0 BCAERO CCOC(=O)N1CCO[C@@H](c2c[nH]cn2)C1 ZINC000616676697 351241547 /nfs/dbraw/zinc/24/15/47/351241547.db2.gz HVDUXRFIAOITNA-SECBINFHSA-N 1 0 225.248 0.940 10 0 BCAERO [NH3+]CCN1c2ccccc2NC[C@H]1c1nc[nH]n1 ZINC000616682181 351252774 /nfs/dbraw/zinc/25/27/74/351252774.db2.gz FMSXMUAUCQODFE-NSHDSACASA-N 1 0 244.302 0.737 10 0 BCAERO CO[C@H]1CN(CC[NH3+])c2ccccc2N1 ZINC000616682577 351252834 /nfs/dbraw/zinc/25/28/34/351252834.db2.gz DHUNJUYZCJUTSL-NSHDSACASA-N 1 0 207.277 0.850 10 0 BCAERO [NH3+]CCN1c2ccccc2NC[C@@H]1CO ZINC000616682819 351253503 /nfs/dbraw/zinc/25/35/03/351253503.db2.gz DBANPHHRSKCINQ-SECBINFHSA-N 1 0 207.277 0.238 10 0 BCAERO NC(=O)N1c2ccccc2NC[C@@H]1C[NH3+] ZINC000616682686 351253506 /nfs/dbraw/zinc/25/35/06/351253506.db2.gz AWCDRSCZDQMPTD-ZETCQYMHSA-N 1 0 206.249 0.325 10 0 BCAERO [NH3+]CCN1CCOCC[C@H]1C(F)(F)F ZINC000616657353 351198009 /nfs/dbraw/zinc/19/80/09/351198009.db2.gz WOPHITIFSGRPRI-ZETCQYMHSA-N 1 0 212.215 0.598 10 0 BCAERO [NH3+]CCN1CCOCC[C@H]1c1cccnn1 ZINC000616657347 351198318 /nfs/dbraw/zinc/19/83/18/351198318.db2.gz WLWOZOVKSYLVEG-NSHDSACASA-N 1 0 222.292 0.199 10 0 BCAERO C[N@@H+]1CCOC[C@H](c2cccc(C(N)=O)c2)C1 ZINC000616657460 351199036 /nfs/dbraw/zinc/19/90/36/351199036.db2.gz GBUNDAHDYCIOCC-GFCCVEGCSA-N 1 0 234.299 0.831 10 0 BCAERO [NH3+]CCN1CCOCC[C@H]1c1ccccn1 ZINC000616655814 351201844 /nfs/dbraw/zinc/20/18/44/351201844.db2.gz DKVGBWIDISRCGU-LBPRGKRZSA-N 1 0 221.304 0.804 10 0 BCAERO Nc1cccc([C@@H]2CCOCC[N@@H+]2CCO)n1 ZINC000616656107 351201871 /nfs/dbraw/zinc/20/18/71/351201871.db2.gz JGKIRQGKWYWBJS-NSHDSACASA-N 1 0 237.303 0.420 10 0 BCAERO C[N@@H+]1CCOC[C@@H](c2cccc(C(N)=O)c2)C1 ZINC000616660321 351203293 /nfs/dbraw/zinc/20/32/93/351203293.db2.gz GBUNDAHDYCIOCC-LBPRGKRZSA-N 1 0 234.299 0.831 10 0 BCAERO CCOC(=O)[C@H]1COCC[N@@H+](C(C)C)C1 ZINC000616660474 351203396 /nfs/dbraw/zinc/20/33/96/351203396.db2.gz NHCDONIHLQRXHZ-SNVBAGLBSA-N 1 0 215.293 0.906 10 0 BCAERO OCC[N@@H+]1CCOC[C@H](c2ncco2)C1 ZINC000616658468 351203938 /nfs/dbraw/zinc/20/39/38/351203938.db2.gz FVVLCMFBDQDUFV-SECBINFHSA-N 1 0 212.249 0.083 10 0 BCAERO [NH3+]CCN1CCOCC[C@@H]1C(F)(F)F ZINC000616658973 351205039 /nfs/dbraw/zinc/20/50/39/351205039.db2.gz WOPHITIFSGRPRI-SSDOTTSWSA-N 1 0 212.215 0.598 10 0 BCAERO C[N@@H+]1CCOC[C@@H](c2ccccc2C(N)=O)C1 ZINC000616659437 351206965 /nfs/dbraw/zinc/20/69/65/351206965.db2.gz ACKNZHJOSGXUFN-JTQLQIEISA-N 1 0 234.299 0.831 10 0 BCAERO OCc1ccccc1[C@H]1C[NH2+]CCOC1 ZINC000616659932 351208932 /nfs/dbraw/zinc/20/89/32/351208932.db2.gz KLWGIOOXEXQGLV-NSHDSACASA-N 1 0 207.273 0.882 10 0 BCAERO CC(C)(C)[C@@H]1COCC[N@H+](CCO)C1 ZINC000616660709 351213450 /nfs/dbraw/zinc/21/34/50/351213450.db2.gz NPRFPUHRHLWJGJ-JTQLQIEISA-N 1 0 201.310 0.973 10 0 BCAERO [NH3+]CCN1CCOC[C@H](C(F)(F)F)C1 ZINC000616664266 351219312 /nfs/dbraw/zinc/21/93/12/351219312.db2.gz SNXSUZBKZWZDFS-SSDOTTSWSA-N 1 0 212.215 0.456 10 0 BCAERO CC(C)(C)OC(=O)NC[C@@H]1CC[NH2+]CCO1 ZINC000616665123 351221737 /nfs/dbraw/zinc/22/17/37/351221737.db2.gz MYPIMKUYEFCWQP-VIFPVBQESA-N 1 0 230.308 0.890 10 0 BCAERO Nc1cccc([C@@H]2CCN(CC[NH3+])CCO2)c1 ZINC000616665644 351223094 /nfs/dbraw/zinc/22/30/94/351223094.db2.gz QHVFDSOKLVLIPD-ZDUSSCGKSA-N 1 0 235.331 0.991 10 0 BCAERO OCC[N@@H+]1CCO[C@@H](c2c[nH]cn2)CC1 ZINC000616666127 351225532 /nfs/dbraw/zinc/22/55/32/351225532.db2.gz HPVXDTNTTDCJAB-SNVBAGLBSA-N 1 0 211.265 0.165 10 0 BCAERO NC(=O)[C@H]1CCc2ccccc2N1CC[NH3+] ZINC000616669167 351228240 /nfs/dbraw/zinc/22/82/40/351228240.db2.gz LYCDNCSAQLUHLG-LLVKDONJSA-N 1 0 219.288 0.252 10 0 BCAERO CC[S@](C)(=O)=NC(=O)[C@@H]1CC[NH2+][C@H]1C ZINC000306887121 351295218 /nfs/dbraw/zinc/29/52/18/351295218.db2.gz TXWNLXRPMNNBEV-GIHMMQTOSA-N 1 0 218.322 0.629 10 0 BCAERO C[NH2+]C[C@@H]1C[C@]12CCCS(=O)(=O)C2 ZINC000068941100 351297415 /nfs/dbraw/zinc/29/74/15/351297415.db2.gz MZMWBCUDEVFCLS-IUCAKERBSA-N 1 0 203.307 0.421 10 0 BCAERO CC(C)S(=O)(=O)N1CCSC[C@H]1C[NH3+] ZINC000306874799 351268857 /nfs/dbraw/zinc/26/88/57/351268857.db2.gz GOCJCFPCBXWELG-MRVPVSSYSA-N 1 0 238.378 0.101 10 0 BCAERO CCN(c1ncc(Cl)cn1)C1C[NH2+]C1 ZINC000168068684 351278414 /nfs/dbraw/zinc/27/84/14/351278414.db2.gz FJQLOJLFKWZWSR-UHFFFAOYSA-N 1 0 212.684 0.928 10 0 BCAERO Nc1cc[nH+]cc1C(=O)Cn1cncn1 ZINC000306881225 351279301 /nfs/dbraw/zinc/27/93/01/351279301.db2.gz LVGHZOOXDRGQFF-UHFFFAOYSA-N 1 0 203.205 0.138 10 0 BCAERO CC[C@H](C(N)=S)[N@@H+]1C[C@H](O)C(C)(C)C1 ZINC000306880746 351279969 /nfs/dbraw/zinc/27/99/69/351279969.db2.gz KXHLHTRNCMEXET-SFYZADRCSA-N 1 0 216.350 0.754 10 0 BCAERO C[C@H]([NH3+])c1nnnn1[C@@H]1CCS[C@@H]1C ZINC000306987808 351404517 /nfs/dbraw/zinc/40/45/17/351404517.db2.gz ZLQDEGPCRNZTHH-RRKCRQDMSA-N 1 0 213.310 0.759 10 0 BCAERO C[C@H]1CSC(NCCc2ncon2)=[NH+]1 ZINC000231843503 351405557 /nfs/dbraw/zinc/40/55/57/351405557.db2.gz SDDULOIWJCNUNR-LURJTMIESA-N 1 0 212.278 0.693 10 0 BCAERO C[C@@H]1CSC(NCCc2ncon2)=[NH+]1 ZINC000231843501 351405613 /nfs/dbraw/zinc/40/56/13/351405613.db2.gz SDDULOIWJCNUNR-ZCFIWIBFSA-N 1 0 212.278 0.693 10 0 BCAERO C[C@@H]1CC[C@@H](C(=O)NCC(C)(C)[NH3+])O1 ZINC000168369686 351391548 /nfs/dbraw/zinc/39/15/48/351391548.db2.gz ZEZQFZUVHBAHDQ-SFYZADRCSA-N 1 0 200.282 0.407 10 0 BCAERO CC(C)CNC(=O)[C@@H](C)[NH2+]C[C@H]1CCCO1 ZINC000034937557 351352106 /nfs/dbraw/zinc/35/21/06/351352106.db2.gz GONXZKLCYWKQOQ-GHMZBOCLSA-N 1 0 228.336 0.916 10 0 BCAERO C[C@H]([NH3+])c1nnnn1[C@@H]1CCS[C@H]1C ZINC000306987806 351403792 /nfs/dbraw/zinc/40/37/92/351403792.db2.gz ZLQDEGPCRNZTHH-LYFYHCNISA-N 1 0 213.310 0.759 10 0 BCAERO C[C@H](C(=O)Nc1ccncc1)N1CC[NH2+]CC1 ZINC000034958648 351362035 /nfs/dbraw/zinc/36/20/35/351362035.db2.gz JXCHUOKLNPUWTP-SNVBAGLBSA-N 1 0 234.303 0.314 10 0 BCAERO C[C@H]([NH3+])c1nnnn1[C@H]1CCS[C@H]1C ZINC000306987804 351404228 /nfs/dbraw/zinc/40/42/28/351404228.db2.gz ZLQDEGPCRNZTHH-ACZMJKKPSA-N 1 0 213.310 0.759 10 0 BCAERO Cc1ncc(Br)c(NC2C[NH2+]C2)n1 ZINC000307032620 351433096 /nfs/dbraw/zinc/43/30/96/351433096.db2.gz QFICJEXRNJOPHM-UHFFFAOYSA-N 1 0 243.108 0.931 10 0 BCAERO Cc1nnc([C@H](C)N2C[C@@H]([NH3+])C2=O)s1 ZINC000307024632 351433387 /nfs/dbraw/zinc/43/33/87/351433387.db2.gz WKWMDEJZSVNPDZ-UJURSFKZSA-N 1 0 212.278 0.077 10 0 BCAERO CCOC(=O)[C@H](O)C[NH2+]Cc1ccccc1 ZINC000307053909 351457828 /nfs/dbraw/zinc/45/78/28/351457828.db2.gz QEDHPUNFFBTPAO-LLVKDONJSA-N 1 0 223.272 0.700 10 0 BCAERO O[C@H]1C[NH2+]C[C@H]1N1CCC=C(Cl)C1 ZINC000404442509 351459108 /nfs/dbraw/zinc/45/91/08/351459108.db2.gz YGJOJGVTDYMANS-BDAKNGLRSA-N 1 0 202.685 0.148 10 0 BCAERO CC[N@@H+]1CC[C@@](O)(c2cnc(N)s2)C1 ZINC000306994043 351410717 /nfs/dbraw/zinc/41/07/17/351410717.db2.gz MLWATUZOMSQBJT-VIFPVBQESA-N 1 0 213.306 0.639 10 0 BCAERO [NH3+][C@]1(c2ncncc2Br)CCOC1 ZINC000307074545 351464976 /nfs/dbraw/zinc/46/49/76/351464976.db2.gz DOBUCWUXDGMGAA-MRVPVSSYSA-N 1 0 244.092 0.813 10 0 BCAERO C[N@H+]([C@@H]1CCSC1)[C@H]1COC[C@@H]1O ZINC000307019193 351423765 /nfs/dbraw/zinc/42/37/65/351423765.db2.gz RQDKRIRILMRXLW-VGMNWLOBSA-N 1 0 203.307 0.183 10 0 BCAERO C[N@H+]([C@@H]1CCSC1)[C@@H]1COC[C@H]1O ZINC000307019192 351423773 /nfs/dbraw/zinc/42/37/73/351423773.db2.gz RQDKRIRILMRXLW-IWSPIJDZSA-N 1 0 203.307 0.183 10 0 BCAERO C[N@H+]([C@@H]1CCSC1)[C@@H]1COC[C@@H]1O ZINC000307019189 351424077 /nfs/dbraw/zinc/42/40/77/351424077.db2.gz RQDKRIRILMRXLW-HLTSFMKQSA-N 1 0 203.307 0.183 10 0 BCAERO CO[C@@H]1COCC[C@@]1([NH3+])c1nccs1 ZINC000307133811 351493317 /nfs/dbraw/zinc/49/33/17/351493317.db2.gz YRPYFCNQAZHIFL-APPZFPTMSA-N 1 0 214.290 0.732 10 0 BCAERO C[C@@H]1SCC[C@H]1[NH2+]C1CS(=O)(=O)C1 ZINC000307138325 351495170 /nfs/dbraw/zinc/49/51/70/351495170.db2.gz AFUIAOKKKVXVTA-POYBYMJQSA-N 1 0 221.347 0.267 10 0 BCAERO C[C@H]1CSC[C@@H]1[NH2+]Cc1n[nH]c(=O)s1 ZINC000307145884 351499394 /nfs/dbraw/zinc/49/93/94/351499394.db2.gz MTUSPUNAPKRZIT-WDSKDSINSA-N 1 0 231.346 0.673 10 0 BCAERO C[S@](=O)N1CC[NH2+][C@@H]2CCCC[C@@H]21 ZINC000307141693 351500355 /nfs/dbraw/zinc/50/03/55/351500355.db2.gz DIWMHDYDKLRMMI-ZDMBXUJBSA-N 1 0 202.323 0.496 10 0 BCAERO CC[C@](C)(NC1=NCCS1)C(N)=O ZINC000307152421 351505916 /nfs/dbraw/zinc/50/59/16/351505916.db2.gz YDHKFJVPNGSZOE-QMMMGPOBSA-N 1 0 201.295 0.333 10 0 BCAERO CC[C@@H]1CCCN(C(=O)[C@H]([NH3+])COC)CC1 ZINC000088004527 351509670 /nfs/dbraw/zinc/50/96/70/351509670.db2.gz XQWSDOJOTGBKNW-GHMZBOCLSA-N 1 0 228.336 0.999 10 0 BCAERO COC[C@H]([NH3+])C(=O)N(C)CCc1cccs1 ZINC000088004987 351512414 /nfs/dbraw/zinc/51/24/14/351512414.db2.gz VPHBKXZOVHYRAV-JTQLQIEISA-N 1 0 242.344 0.723 10 0 BCAERO C[C@H]1C[C@@H](NC(=O)C(C)(C)[NH3+])CS1 ZINC000307098000 351477625 /nfs/dbraw/zinc/47/76/25/351477625.db2.gz VPGFUHXWPQGVGQ-NKWVEPMBSA-N 1 0 202.323 0.734 10 0 BCAERO C[C@@H]1C[C@@H]([NH2+][C@@H]2CNC(=O)C2)CS1 ZINC000228898876 351478218 /nfs/dbraw/zinc/47/82/18/351478218.db2.gz ZEHXANGOEHLXQF-GJMOJQLCSA-N 1 0 200.307 0.359 10 0 BCAERO CCC(=O)CN1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000307100149 351478679 /nfs/dbraw/zinc/47/86/79/351478679.db2.gz XMSNYSRXQNVQKX-LBPRGKRZSA-N 1 0 210.321 0.993 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N(C)Cc1ccccc1 ZINC000088002305 351481844 /nfs/dbraw/zinc/48/18/44/351481844.db2.gz AZXGKGWMOTWCOU-LLVKDONJSA-N 1 0 222.288 0.619 10 0 BCAERO CNC(=O)NC(=O)C[NH2+]Cc1ccccc1 ZINC000307164932 351528423 /nfs/dbraw/zinc/52/84/23/351528423.db2.gz MPJWUUKNMBKZRC-UHFFFAOYSA-N 1 0 221.260 0.232 10 0 BCAERO C[C@H]1C[NH2+]C[C@H]1C(=O)N=S(C)(C)=O ZINC000307162756 351529841 /nfs/dbraw/zinc/52/98/41/351529841.db2.gz ILCBQTQUGALUKT-NKWVEPMBSA-N 1 0 204.295 0.096 10 0 BCAERO CC[C@]1([C@H]2CCOC2)C[NH2+]C[C@H]1C(N)=O ZINC000307168897 351543916 /nfs/dbraw/zinc/54/39/16/351543916.db2.gz WHSKWHIHWLVHKJ-ATZCPNFKSA-N 1 0 212.293 0.124 10 0 BCAERO CNC(=O)C[NH+]1[C@H](C)CSC[C@H]1C ZINC000307211542 351611539 /nfs/dbraw/zinc/61/15/39/351611539.db2.gz SZBWQHBNUKGYKX-HTQZYQBOSA-N 1 0 202.323 0.558 10 0 BCAERO CO[C@@H]1C[NH2+][C@H](C(=O)c2ccsn2)C1 ZINC000307186874 351588285 /nfs/dbraw/zinc/58/82/85/351588285.db2.gz NNYRRARXRXAUAR-XPUUQOCRSA-N 1 0 212.274 0.703 10 0 BCAERO [NH3+]CC1(CO)CC(Cc2ccccn2)C1 ZINC000606302118 351553558 /nfs/dbraw/zinc/55/35/58/351553558.db2.gz CLKDIXKVZVUNBS-UHFFFAOYSA-N 1 0 206.289 0.972 10 0 BCAERO [NH3+]CC1(O)CN(C(=O)OCc2ccccc2)C1 ZINC000307171412 351559998 /nfs/dbraw/zinc/55/99/98/351559998.db2.gz BEIGOVFMAWHLII-UHFFFAOYSA-N 1 0 236.271 0.329 10 0 BCAERO Cc1conc1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000637813971 351658160 /nfs/dbraw/zinc/65/81/60/351658160.db2.gz HGGSNELTHAAMLL-ULKQDVFKSA-N 1 0 235.287 0.996 10 0 BCAERO C[NH2+][C@@H]1COC[C@@H]1C(=O)c1csc(C)n1 ZINC000307215804 351618086 /nfs/dbraw/zinc/61/80/86/351618086.db2.gz BKRICHMVRAXREK-JGVFFNPUSA-N 1 0 226.301 0.869 10 0 BCAERO CC[C@H](NC(C)=O)C(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000637850177 351707600 /nfs/dbraw/zinc/70/76/00/351707600.db2.gz JCKQEHARLBZVPH-VWYCJHECSA-N 1 0 241.335 0.145 10 0 BCAERO C[C@H]1C[NH2+]C[C@H](N2CCCS2(=O)=O)C1 ZINC000232078483 351672383 /nfs/dbraw/zinc/67/23/83/351672383.db2.gz RCBJUTFHCNGOFR-RKDXNWHRSA-N 1 0 218.322 0.020 10 0 BCAERO C[S@@](=O)Nc1nc2c(s1)C[NH2+]CC2 ZINC000307226961 351674964 /nfs/dbraw/zinc/67/49/64/351674964.db2.gz WBHMEFGJHBPMOC-CYBMUJFWSA-N 1 0 217.319 0.494 10 0 BCAERO C[NH2+][C@]1(CN=S(C)(C)=O)CCOC1 ZINC000307237729 351726748 /nfs/dbraw/zinc/72/67/48/351726748.db2.gz FHBNDNDLNLHVKX-QMMMGPOBSA-N 1 0 206.311 0.093 10 0 BCAERO C[C@@H]1CN(C(=O)C2=CC[C@H]([NH3+])C2)C[C@@H](C)O1 ZINC000637869129 351728699 /nfs/dbraw/zinc/72/86/99/351728699.db2.gz SNHIYCFNRMKGEY-KKZNHRDASA-N 1 0 224.304 0.670 10 0 BCAERO CC(C)[C@H](C)NC(=O)[C@]1(C)C[NH2+]CCO1 ZINC000637877425 351742674 /nfs/dbraw/zinc/74/26/74/351742674.db2.gz SKABEQSDWHWBKN-ONGXEEELSA-N 1 0 214.309 0.526 10 0 BCAERO CC(C)[C@@H](C)NC(=O)c1cnc(C[NH3+])nc1 ZINC000637877380 351742879 /nfs/dbraw/zinc/74/28/79/351742879.db2.gz RFVFEHNNXVCDQB-MRVPVSSYSA-N 1 0 222.292 0.710 10 0 BCAERO Cn1cc(CCNC(=O)[C@@H]2CC[C@@H]([NH3+])C2)cn1 ZINC000128115186 180640136 /nfs/dbraw/zinc/64/01/36/180640136.db2.gz UCBUFNCONVRTMY-GHMZBOCLSA-N 1 0 236.319 0.206 10 0 BCAERO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)c1cccnn1 ZINC000637852539 351711373 /nfs/dbraw/zinc/71/13/73/351711373.db2.gz WOLLGTHYABFZSE-BDAKNGLRSA-N 1 0 220.276 0.334 10 0 BCAERO COC[C@]1(C(=O)NCC[C@H](C)O)CCCC[NH2+]1 ZINC000637909088 351783442 /nfs/dbraw/zinc/78/34/42/351783442.db2.gz AFQJETBLBIDAEZ-JQWIXIFHSA-N 1 0 244.335 0.032 10 0 BCAERO C[C@@H]1[C@@H](O)CCC[N@@H+]1CCC(C)(C)[NH3+] ZINC000307253103 351784198 /nfs/dbraw/zinc/78/41/98/351784198.db2.gz UOKXGJFQULGEHT-ZJUUUORDSA-N 1 0 200.326 0.959 10 0 BCAERO Cn1ncc(C[C@H]([NH3+])c2cscn2)n1 ZINC000307257477 351795142 /nfs/dbraw/zinc/79/51/42/351795142.db2.gz BDNCUIUYCCBVGO-ZETCQYMHSA-N 1 0 209.278 0.514 10 0 BCAERO CC[NH2+][C@H](C)C(=O)N[C@@H](C)[C@@H]1CCCO1 ZINC000637928242 351805011 /nfs/dbraw/zinc/80/50/11/351805011.db2.gz AAVDCJNTWPSMCV-AEJSXWLSSA-N 1 0 214.309 0.668 10 0 BCAERO CC[NH2+][C@H](C)C(=O)N1CCC[C@H](NC(C)=O)C1 ZINC000637922541 351797533 /nfs/dbraw/zinc/79/75/33/351797533.db2.gz QVDINODPQXQKII-KOLCDFICSA-N 1 0 241.335 0.112 10 0 BCAERO C[S@@](=O)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000307248354 351756871 /nfs/dbraw/zinc/75/68/71/351756871.db2.gz HOPMRXGOBPQRLC-ISVAXAHUSA-N 1 0 202.323 0.544 10 0 BCAERO C[S@](=O)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000307248355 351756908 /nfs/dbraw/zinc/75/69/08/351756908.db2.gz HOPMRXGOBPQRLC-OQPBUACISA-N 1 0 202.323 0.544 10 0 BCAERO C[S@](=O)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000307248356 351756913 /nfs/dbraw/zinc/75/69/13/351756913.db2.gz HOPMRXGOBPQRLC-SDBXPKJASA-N 1 0 202.323 0.544 10 0 BCAERO CC[NH2+][C@H](C)C(=O)N[C@@H]1CCC[C@@H](O)C1 ZINC000637928125 351803236 /nfs/dbraw/zinc/80/32/36/351803236.db2.gz PDAJNXSOGKPIOH-OPRDCNLKSA-N 1 0 214.309 0.404 10 0 BCAERO [NH3+][C@H]1CC=C(C(=O)NCC[C@@H]2CCCO2)C1 ZINC000637901111 351770349 /nfs/dbraw/zinc/77/03/49/351770349.db2.gz ACCDNEMJAVERCR-QWRGUYRKSA-N 1 0 224.304 0.719 10 0 BCAERO OC[C@@H]1CCC[N@@H+]([C@H]2CCO[C@@]23CCOC3)C1 ZINC000725268855 538101301 /nfs/dbraw/zinc/10/13/01/538101301.db2.gz CUHYWBAHJYQSBC-FRRDWIJNSA-N 1 0 241.331 0.639 10 0 BCAERO CC(C)NC(=O)N1CCC2(CC1)OCC[C@H]2[NH3+] ZINC000725269171 538101304 /nfs/dbraw/zinc/10/13/04/538101304.db2.gz DPIFLHOZYBOWIF-SNVBAGLBSA-N 1 0 241.335 0.687 10 0 BCAERO Cn1ncc(C(=O)[C@H]2CCC[C@@H]2C[NH3+])n1 ZINC000307272933 351826486 /nfs/dbraw/zinc/82/64/86/351826486.db2.gz GWLPOKXBASZPOU-SFYZADRCSA-N 1 0 208.265 0.373 10 0 BCAERO CC[C@@]1(C(=O)c2cnn(C)n2)CCC[NH2+]1 ZINC000307276816 351832106 /nfs/dbraw/zinc/83/21/06/351832106.db2.gz QVDNGCPOELCDFS-JTQLQIEISA-N 1 0 208.265 0.530 10 0 BCAERO CC(C)[S@@](=O)N1CC[NH2+]C[C@@H](C)C1 ZINC000307262061 351808537 /nfs/dbraw/zinc/80/85/37/351808537.db2.gz WGUGDNNMFOGZTC-NOZJJQNGSA-N 1 0 204.339 0.600 10 0 BCAERO CC(C)[S@@](=O)N1CC[NH2+]C[C@H](C)C1 ZINC000307262063 351808635 /nfs/dbraw/zinc/80/86/35/351808635.db2.gz WGUGDNNMFOGZTC-TVQRCGJNSA-N 1 0 204.339 0.600 10 0 BCAERO CCC[C@H]1C[C@H]1NC(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000638038661 351921798 /nfs/dbraw/zinc/92/17/98/351921798.db2.gz OOWRKOMRQYKTAE-AXTSPUMRSA-N 1 0 212.293 0.407 10 0 BCAERO CC1(C)OC[C@@H]([C@H](O)C[NH2+]CC2CC2)O1 ZINC000725269306 538101616 /nfs/dbraw/zinc/10/16/16/538101616.db2.gz PJJWTUIDEGWQQS-ZJUUUORDSA-N 1 0 215.293 0.498 10 0 BCAERO Cn1ncc(C[C@@H]([NH3+])[C@H]2CCCS2)n1 ZINC000307305005 351931721 /nfs/dbraw/zinc/93/17/21/351931721.db2.gz QZQRXLWUJGQVBK-RKDXNWHRSA-N 1 0 212.322 0.581 10 0 BCAERO Cn1cc(NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)ccc1=O ZINC000091544988 180659524 /nfs/dbraw/zinc/65/95/24/180659524.db2.gz GOELIMVDNOLVIF-RKDXNWHRSA-N 1 0 235.287 0.451 10 0 BCAERO C[NH2+][C@]1(C(N)=O)CCc2ccc(C)cc21 ZINC000129377796 351887839 /nfs/dbraw/zinc/88/78/39/351887839.db2.gz BKHJHOROGYNUDN-GFCCVEGCSA-N 1 0 204.273 0.841 10 0 BCAERO C[C@@H]1SCC[C@@H]1[NH2+][C@H]1COC[C@H]1O ZINC000307297209 351908519 /nfs/dbraw/zinc/90/85/19/351908519.db2.gz PLUBRMJAZJIBMJ-XSPKLOCKSA-N 1 0 203.307 0.230 10 0 BCAERO CC(C)C[C@@H](C[NH+](C)C)NCc1cn(C)nn1 ZINC000054860420 187570332 /nfs/dbraw/zinc/57/03/32/187570332.db2.gz VNLLSJNQCCULBI-NSHDSACASA-N 1 0 239.367 0.881 10 0 BCAERO CC[NH2+][C@H](C)C(=O)N1CCN2CCCC[C@@H]2C1 ZINC000638088100 351965180 /nfs/dbraw/zinc/96/51/80/351965180.db2.gz YUZAZWQQMLVGEJ-VXGBXAGGSA-N 1 0 239.363 0.681 10 0 BCAERO Cn1cc(N[C@@H]2CCC[NH2+]C2)ccc1=O ZINC000043327291 180661280 /nfs/dbraw/zinc/66/12/80/180661280.db2.gz UBLQNADLNIHJKJ-SECBINFHSA-N 1 0 207.277 0.549 10 0 BCAERO CCCC(=O)N[C@H]1CCOC12CC[NH2+]CC2 ZINC000725269944 538101788 /nfs/dbraw/zinc/10/17/88/538101788.db2.gz UOVJWRCIGAVGKL-JTQLQIEISA-N 1 0 226.320 0.814 10 0 BCAERO CNC(=S)NC[C@@H]1C[C@H](C)[N@H+](C)C1 ZINC000307332669 352048200 /nfs/dbraw/zinc/04/82/00/352048200.db2.gz AGIUMXAIXVJATR-YUMQZZPRSA-N 1 0 201.339 0.421 10 0 BCAERO CC(C)[S@@](=O)N1C[C@H](C)C[C@H]([NH3+])C1 ZINC000307335449 352054830 /nfs/dbraw/zinc/05/48/30/352054830.db2.gz MZYCEYFPABYRGR-VYUIOLGVSA-N 1 0 204.339 0.728 10 0 BCAERO C[C@H]1[NH2+]CCC[C@H]1NC(=O)c1cccnn1 ZINC000638204400 352063864 /nfs/dbraw/zinc/06/38/64/352063864.db2.gz DAUFULMTYXYPDL-RKDXNWHRSA-N 1 0 220.276 0.347 10 0 BCAERO CC[C@H](NC(C)=O)C(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000638207077 352069436 /nfs/dbraw/zinc/06/94/36/352069436.db2.gz NVPSBHAVZQYGBZ-INTQDDNPSA-N 1 0 241.335 0.158 10 0 BCAERO CO[C@@]1(C)CCN(C(=O)C(C)(C)[NH3+])C1 ZINC000307330502 352032168 /nfs/dbraw/zinc/03/21/68/352032168.db2.gz NPLOIMHAKITOPD-JTQLQIEISA-N 1 0 200.282 0.361 10 0 BCAERO COC1CC(C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)C1 ZINC000638170762 352033449 /nfs/dbraw/zinc/03/34/49/352033449.db2.gz UGIUVRIEVFXLNS-NPDAHYRHSA-N 1 0 238.331 0.607 10 0 BCAERO Cc1cocc1C(=O)NC[C@H]1CC[NH2+]C1 ZINC000638168683 352036231 /nfs/dbraw/zinc/03/62/31/352036231.db2.gz URWXSZPYHUARBC-VIFPVBQESA-N 1 0 208.261 0.927 10 0 BCAERO CO[C@@H]1C[NH2+][C@](C)(C(=O)N[C@@H]2CCO[C@H]2C)C1 ZINC000638171840 352039149 /nfs/dbraw/zinc/03/91/49/352039149.db2.gz WKHVNNDUUWXLAN-GUDRVLHUSA-N 1 0 242.319 0.047 10 0 BCAERO C[NH2+][C@H](C)CNC(=O)[C@@H]1C[C@@H](C)O[C@@H]1C ZINC000638221328 352080729 /nfs/dbraw/zinc/08/07/29/352080729.db2.gz HEDYTBQEHPLIDQ-ZYUZMQFOSA-N 1 0 214.309 0.524 10 0 BCAERO C[NH2+][C@H](C)CNC(=O)[C@@H](CC(C)C)NC(C)=O ZINC000638222370 352081341 /nfs/dbraw/zinc/08/13/41/352081341.db2.gz RNFUQVLESGAACK-MWLCHTKSSA-N 1 0 243.351 0.261 10 0 BCAERO C[NH2+][C@@H](C)CNC(=O)[C@@H](CC(C)C)NC(C)=O ZINC000638222368 352081555 /nfs/dbraw/zinc/08/15/55/352081555.db2.gz RNFUQVLESGAACK-GXSJLCMTSA-N 1 0 243.351 0.261 10 0 BCAERO Cc1conc1C(=O)N1CC[C@@H]([NH3+])[C@H]1C ZINC000638231819 352084123 /nfs/dbraw/zinc/08/41/23/352084123.db2.gz AFNLJQKMHRNOQL-HTQZYQBOSA-N 1 0 209.249 0.545 10 0 BCAERO Cc1n[nH]c(C)c1C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000036287111 187595862 /nfs/dbraw/zinc/59/58/62/187595862.db2.gz WDGZZABKDVZHFH-SECBINFHSA-N 1 0 222.292 0.508 10 0 BCAERO Cc1cnn(CCNC(=O)C2=CC[C@H]([NH3+])C2)c1 ZINC000638277077 352114006 /nfs/dbraw/zinc/11/40/06/352114006.db2.gz IJUYQEZZYYHFFH-NSHDSACASA-N 1 0 234.303 0.355 10 0 BCAERO CC(C)(C)[C@H](O)CNC(=O)CCC1C[NH2+]C1 ZINC000638278842 352115402 /nfs/dbraw/zinc/11/54/02/352115402.db2.gz KXDKCJJZKBYCQT-SNVBAGLBSA-N 1 0 228.336 0.509 10 0 BCAERO COC(=O)CC[NH2+][C@H]1C[C@H]([NH3+])C1(C)C ZINC000405201542 352115554 /nfs/dbraw/zinc/11/55/54/352115554.db2.gz CVOFPCWRBQFJSD-YUMQZZPRSA-N 1 0 200.282 0.265 10 0 BCAERO CC(C)[C@H](C[NH3+])N1CCS(=O)CC1 ZINC000049691651 187608809 /nfs/dbraw/zinc/60/88/09/187608809.db2.gz BXMPTFAYHQPXJU-VIFPVBQESA-N 1 0 204.339 0.034 10 0 BCAERO Cc1conc1C(=O)N1C[C@H]([NH3+])[C@@H](C)C1 ZINC000638331580 352153776 /nfs/dbraw/zinc/15/37/76/352153776.db2.gz KWJAVEVDKBTGNG-XPUUQOCRSA-N 1 0 209.249 0.402 10 0 BCAERO Cc1conc1C(=O)N1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000638331579 352153859 /nfs/dbraw/zinc/15/38/59/352153859.db2.gz KWJAVEVDKBTGNG-SVRRBLITSA-N 1 0 209.249 0.402 10 0 BCAERO CC(=O)NCCNC(=O)[C@@H]1[C@H](C)CCC[C@@H]1[NH3+] ZINC000055127487 187611208 /nfs/dbraw/zinc/61/12/08/187611208.db2.gz QOAIZEPSSIQEFQ-DVVUODLYSA-N 1 0 241.335 0.002 10 0 BCAERO O=C(NC1C[NH2+]C1)[C@@H]1CCC(F)(F)C1 ZINC000300895943 363109063 /nfs/dbraw/zinc/10/90/63/363109063.db2.gz BVVMFVPUIMCDKM-ZCFIWIBFSA-N 1 0 204.220 0.510 10 0 BCAERO Cc1cc(C)c(C(=O)N2C[C@H](C)[C@H]([NH3+])C2)c(=O)[nH]1 ZINC000638329650 352150021 /nfs/dbraw/zinc/15/00/21/352150021.db2.gz AOKUFFCGXDAXAF-WCBMZHEXSA-N 1 0 249.314 0.823 10 0 BCAERO CCC[C@@H](CNC(=O)[C@@H](C)[NH2+]C)OCC ZINC000638457950 352268821 /nfs/dbraw/zinc/26/88/21/352268821.db2.gz PWBAXWLKKIJJLY-ZJUUUORDSA-N 1 0 216.325 0.916 10 0 BCAERO COCCC1CCN(C(=O)[C@H]([NH3+])COC)CC1 ZINC000638466981 352276912 /nfs/dbraw/zinc/27/69/12/352276912.db2.gz KZPAEFVGQQZUCZ-LLVKDONJSA-N 1 0 244.335 0.235 10 0 BCAERO C[C@@H]1C[C@@H](CN=[S@@](C)(=O)N(C)C)CC[NH2+]1 ZINC000725270849 538102717 /nfs/dbraw/zinc/10/27/17/538102717.db2.gz SZEPISXWOWTGLB-HFBDOXOYSA-N 1 0 233.381 0.949 10 0 BCAERO C[C@H]1CCCN(S(=O)(=O)CC[NH3+])[C@H]1C ZINC000252157409 363182029 /nfs/dbraw/zinc/18/20/29/363182029.db2.gz NMUNODNBRQHBKE-IUCAKERBSA-N 1 0 220.338 0.395 10 0 BCAERO O=C(NCC1CC=CC1)[C@H]1C[C@H](F)C[NH2+]1 ZINC000638494605 352309038 /nfs/dbraw/zinc/30/90/38/352309038.db2.gz ZWGCMXPFZNFLGZ-VHSXEESVSA-N 1 0 212.268 0.769 10 0 BCAERO CC1(C(=O)N2CCC3(CC2)OCC[C@@H]3[NH3+])CC1 ZINC000725270271 538102552 /nfs/dbraw/zinc/10/25/52/538102552.db2.gz ZGRNZXISSIUDIP-JTQLQIEISA-N 1 0 238.331 0.895 10 0 BCAERO CC(C)N(CC(N)=O)C(=O)C1(C[NH3+])CCCC1 ZINC000044764051 187702846 /nfs/dbraw/zinc/70/28/46/187702846.db2.gz JEUMZLJHZMNQJG-UHFFFAOYSA-N 1 0 241.335 0.228 10 0 BCAERO C[NH2+]CCOCCN(C)C(=O)[C@@H]1CC[C@H](C)O1 ZINC000638593171 352423259 /nfs/dbraw/zinc/42/32/59/352423259.db2.gz KFLHYSYNEXNTLW-QWRGUYRKSA-N 1 0 244.335 0.248 10 0 BCAERO CC(C)[C@@H]([NH2+]Cc1cccnc1N)C(N)=O ZINC000725271941 538103510 /nfs/dbraw/zinc/10/35/10/538103510.db2.gz WMOIDUCMFCVNTI-SECBINFHSA-N 1 0 222.292 0.263 10 0 BCAERO CO[C@H]1C[NH2+][C@@H](C(=O)NCc2cccnc2C)C1 ZINC000638600808 352433514 /nfs/dbraw/zinc/43/35/14/352433514.db2.gz DNUJUJUJJSIOIB-VXGBXAGGSA-N 1 0 249.314 0.383 10 0 BCAERO CNS(=O)(=O)C[C@@]12CC[NH2+][C@H]1CCCC2 ZINC000725272197 538103815 /nfs/dbraw/zinc/10/38/15/538103815.db2.gz IGYUAPJJTAKOKN-VHSXEESVSA-N 1 0 232.349 0.458 10 0 BCAERO CCNS(=O)(=O)C[C@]12CC[NH2+][C@@H]1CCCC2 ZINC000725272039 538103886 /nfs/dbraw/zinc/10/38/86/538103886.db2.gz FZPRDXPVJFPMBW-MNOVXSKESA-N 1 0 246.376 0.848 10 0 BCAERO CCOC(=O)C(F)(F)Cn1cc(C[NH2+]C)nn1 ZINC000725271847 538103572 /nfs/dbraw/zinc/10/35/72/538103572.db2.gz DDANSHICXYJNES-UHFFFAOYSA-N 1 0 248.233 0.196 10 0 BCAERO [NH3+]CCCOCCNC(=O)CC(F)(F)F ZINC000638658137 352499487 /nfs/dbraw/zinc/49/94/87/352499487.db2.gz RUZWAAYOWWBVQE-UHFFFAOYSA-N 1 0 228.214 0.420 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N[C@@H]1CO[C@H](C2CC2)C1 ZINC000638694148 352531321 /nfs/dbraw/zinc/53/13/21/352531321.db2.gz BTQKRUBBNITSRI-DCAQKATOSA-N 1 0 226.320 0.798 10 0 BCAERO C[NH2+][C@H](C)C(=O)N[C@H]1CO[C@@H](C2CC2)C1 ZINC000638694793 352531972 /nfs/dbraw/zinc/53/19/72/352531972.db2.gz ILIQMNGZZJAITR-SZEHBUNVSA-N 1 0 212.293 0.278 10 0 BCAERO C[C@H](C(N)=S)[N@@H+]1C[C@@H](O)CC[C@H]1C ZINC000307453883 352609024 /nfs/dbraw/zinc/60/90/24/352609024.db2.gz VIECWEAVTSIYSE-PRJMDXOYSA-N 1 0 202.323 0.506 10 0 BCAERO C[C@H](O)[C@H]([NH3+])CNC(=O)NCc1ccccc1 ZINC000232306755 352611873 /nfs/dbraw/zinc/61/18/73/352611873.db2.gz FBEVJJKODOEUIN-GXSJLCMTSA-N 1 0 237.303 0.194 10 0 BCAERO C[C@H](O)[C@@H]([NH3+])CNC(=O)NCc1ccccc1 ZINC000232306751 352612195 /nfs/dbraw/zinc/61/21/95/352612195.db2.gz FBEVJJKODOEUIN-ONGXEEELSA-N 1 0 237.303 0.194 10 0 BCAERO O=Cc1ccc(N2CC[N@@H+]3CC[C@H]2C3)o1 ZINC000307470904 352612920 /nfs/dbraw/zinc/61/29/20/352612920.db2.gz WDPLRLGQGUNJBR-VIFPVBQESA-N 1 0 206.245 0.986 10 0 BCAERO CCNC(=O)N1C[C@@H](C)OC2(CC[NH2+]CC2)C1 ZINC000725272636 538104532 /nfs/dbraw/zinc/10/45/32/538104532.db2.gz SMHHIWBDAQFJGO-SNVBAGLBSA-N 1 0 241.335 0.559 10 0 BCAERO C[C@@H]1C[C@H](NC(=O)[C@@H]2CC[C@H]([NH3+])C2)CCO1 ZINC000300378699 352561311 /nfs/dbraw/zinc/56/13/11/352561311.db2.gz GWKXQLGPUUMGCZ-CHWFTXMASA-N 1 0 226.320 0.798 10 0 BCAERO Cc1c(C(=O)NC(C)C)cc(C[NH3+])n1C ZINC000725272547 538104558 /nfs/dbraw/zinc/10/45/58/538104558.db2.gz PKIKUJSZBSOWQV-UHFFFAOYSA-N 1 0 209.293 0.930 10 0 BCAERO CC(C)(C)OC(=O)N1CCO[C@@H]2CC[NH2+]C[C@@H]21 ZINC000214944615 352564156 /nfs/dbraw/zinc/56/41/56/352564156.db2.gz OAJIQHJOQXQMMQ-VHSXEESVSA-N 1 0 242.319 0.984 10 0 BCAERO C[C@H](NC1=N[C@@H](C)[C@@H](C)S1)C(N)=O ZINC000307392656 352569004 /nfs/dbraw/zinc/56/90/04/352569004.db2.gz ZIPHCMUCCDWWPA-HCWXCVPCSA-N 1 0 201.295 0.330 10 0 BCAERO [NH3+][C@@H]1C[C@@H]1NC(=O)[C@H]1CSCCS1 ZINC000307402778 352577404 /nfs/dbraw/zinc/57/74/04/352577404.db2.gz CBCDDJPVZQZREJ-DSYKOEDSSA-N 1 0 218.347 0.051 10 0 BCAERO CCC[C@@H](C)C(=O)N1CC(F)(C[NH3+])C1 ZINC000725272839 538104646 /nfs/dbraw/zinc/10/46/46/538104646.db2.gz NBWSLUUAFLZBNH-MRVPVSSYSA-N 1 0 202.273 0.932 10 0 BCAERO CO[C@H]1CCN(C(=O)[C@H](C)[NH3+])[C@H](C)C1 ZINC000300951864 352580598 /nfs/dbraw/zinc/58/05/98/352580598.db2.gz UIDZGAVSIBQOBZ-VGMNWLOBSA-N 1 0 200.282 0.360 10 0 BCAERO NS(=O)(=O)C[C@]12CC[NH2+][C@H]1CCCC2 ZINC000725273193 538104667 /nfs/dbraw/zinc/10/46/67/538104667.db2.gz WXXHUJSOAFDFRK-IUCAKERBSA-N 1 0 218.322 0.197 10 0 BCAERO CC1(C)[C@@H]([NH3+])C12CCS(=O)(=O)CC2 ZINC000300976427 352581812 /nfs/dbraw/zinc/58/18/12/352581812.db2.gz JWEBMOREKANYNU-SSDOTTSWSA-N 1 0 203.307 0.549 10 0 BCAERO NC(=O)C[N@@H+]1CCS[C@@H]2CCC[C@@H]21 ZINC000307539398 352643492 /nfs/dbraw/zinc/64/34/92/352643492.db2.gz QEKPWPHUOSZQNJ-JGVFFNPUSA-N 1 0 200.307 0.442 10 0 BCAERO C[NH+]1CC(CNC(=O)c2nnc(Cl)s2)C1 ZINC000307539775 352644313 /nfs/dbraw/zinc/64/43/13/352644313.db2.gz VCVOJMSFFIOEOL-UHFFFAOYSA-N 1 0 246.723 0.483 10 0 BCAERO Cn1ncc(Cl)c1[C@@H](O)C(C)(C)[NH3+] ZINC000307550611 352648187 /nfs/dbraw/zinc/64/81/87/352648187.db2.gz RHHVCUVLKGUYLA-SSDOTTSWSA-N 1 0 203.673 0.844 10 0 BCAERO O=S1(=O)CCC[C@H](C[NH2+]C2CCC2)C1 ZINC000307572144 352656694 /nfs/dbraw/zinc/65/66/94/352656694.db2.gz YJVKBKBZSKELPZ-SECBINFHSA-N 1 0 217.334 0.953 10 0 BCAERO CCCCN(CCO)[C@H]1COC[C@H]1C[NH+](C)C ZINC000725273785 538104811 /nfs/dbraw/zinc/10/48/11/538104811.db2.gz GKJGGNXATLMTJR-OLZOCXBDSA-N 1 0 244.379 0.657 10 0 BCAERO C[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCS(=O)(=O)C1 ZINC000307573190 352658321 /nfs/dbraw/zinc/65/83/21/352658321.db2.gz DTMPZFGNAMRITN-HLTSFMKQSA-N 1 0 203.307 0.562 10 0 BCAERO C[C@H]1CSC[C@H]1NC(=O)C1([NH3+])CC1 ZINC000307581295 352660469 /nfs/dbraw/zinc/66/04/69/352660469.db2.gz CJWBTSMNIFISLT-NKWVEPMBSA-N 1 0 200.307 0.345 10 0 BCAERO [NH3+]C1CN(C(=O)[C@@H]2CCCC2(F)F)C1 ZINC000307581399 352660797 /nfs/dbraw/zinc/66/07/97/352660797.db2.gz RBDDALBFIMTUID-ZETCQYMHSA-N 1 0 204.220 0.591 10 0 BCAERO O=C(Nc1n[nH]cc1Br)[C@@H]1CC[NH2+]1 ZINC000307600007 352666371 /nfs/dbraw/zinc/66/63/71/352666371.db2.gz RXXLQDZQUOBOCJ-YFKPBYRVSA-N 1 0 245.080 0.473 10 0 BCAERO CCCNC(=[NH2+])NC1CCS(=O)CC1 ZINC000229237225 352666687 /nfs/dbraw/zinc/66/66/87/352666687.db2.gz VERCSTKQCHJLED-UHFFFAOYSA-N 1 0 217.338 0.421 10 0 BCAERO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C(F)(F)F)C[C@@H]12 ZINC000307602837 352667819 /nfs/dbraw/zinc/66/78/19/352667819.db2.gz XSOBBJUEVIMDKZ-FSDSQADBSA-N 1 0 222.210 0.744 10 0 BCAERO O[C@H]1COC[C@H]1[N@@H+]1CCCSCC1 ZINC000307485525 352620915 /nfs/dbraw/zinc/62/09/15/352620915.db2.gz UVLXPQFXLIFHDQ-BDAKNGLRSA-N 1 0 203.307 0.185 10 0 BCAERO CC1(C)SC[C@@H]1[NH2+][C@H]1COC[C@H]1O ZINC000307493735 352624647 /nfs/dbraw/zinc/62/46/47/352624647.db2.gz AVPZKYUMJDBVTF-RNJXMRFFSA-N 1 0 203.307 0.230 10 0 BCAERO CC(C)[S@@](=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000307623910 352694608 /nfs/dbraw/zinc/69/46/08/352694608.db2.gz IIUFZEBKKKBLEA-VYUIOLGVSA-N 1 0 204.339 0.728 10 0 BCAERO COC[C@@]1(C(=O)N[C@@H]2C[C@H]2C)CCC[NH2+]1 ZINC000638765940 352705457 /nfs/dbraw/zinc/70/54/57/352705457.db2.gz JRVPGDNJUGNMLX-FXPVBKGRSA-N 1 0 212.293 0.280 10 0 BCAERO [NH3+][C@H](C1=COCC1)[C@@H]1CSCCO1 ZINC000307616051 352674506 /nfs/dbraw/zinc/67/45/06/352674506.db2.gz RPDITLKKOAKRQT-DTWKUNHWSA-N 1 0 201.291 0.750 10 0 BCAERO C[C@@H]1C[C@H]([NH2+]C[C@H]2CN(C)CCO2)CS1 ZINC000252177962 363194104 /nfs/dbraw/zinc/19/41/04/363194104.db2.gz SJSAOLHLKJGEAP-VWYCJHECSA-N 1 0 230.377 0.801 10 0 BCAERO C[C@H](C[NH3+])CN1CCC2(C1)OCCO2 ZINC000307645090 352737965 /nfs/dbraw/zinc/73/79/65/352737965.db2.gz WVUIBEAOCUJPLJ-SECBINFHSA-N 1 0 200.282 0.030 10 0 BCAERO C[C@@H]1C[C@@H](NC(=O)C2C[NH2+]C2)CS1 ZINC000307651072 352742910 /nfs/dbraw/zinc/74/29/10/352742910.db2.gz RHYRMMTXLRKJRV-HTRCEHHLSA-N 1 0 200.307 0.216 10 0 BCAERO CC[NH2+][C@@H]1CCN(S(C)(=O)=O)C[C@H]1C ZINC000253151776 538105096 /nfs/dbraw/zinc/10/50/96/538105096.db2.gz HYOOJOOQEYMUON-RKDXNWHRSA-N 1 0 220.338 0.266 10 0 BCAERO Cn1cnnc1SCc1cccnc1C[NH3+] ZINC000061657945 180797134 /nfs/dbraw/zinc/79/71/34/180797134.db2.gz PTLUADNSEFDCKP-UHFFFAOYSA-N 1 0 235.316 0.961 10 0 BCAERO CO[C@H]1C[C@@H](CNC(=O)[C@H]2CC[C@H]([NH3+])C2)C1 ZINC000638807312 352980672 /nfs/dbraw/zinc/98/06/72/352980672.db2.gz JMSKDFGRUIAMAF-XWLWVQCSSA-N 1 0 226.320 0.655 10 0 BCAERO CO[C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[C@H]2C[NH3+])C1 ZINC000638809618 352986966 /nfs/dbraw/zinc/98/69/66/352986966.db2.gz UAWCMZFZKFWIHG-NNYUYHANSA-N 1 0 240.347 0.903 10 0 BCAERO CO[C@H]1C[C@@H](CNC(=O)[C@@]2(C)CCC[NH2+]2)C1 ZINC000638809719 352987385 /nfs/dbraw/zinc/98/73/85/352987385.db2.gz WSBQMPUOISEWSI-JFGNBEQYSA-N 1 0 226.320 0.670 10 0 BCAERO CNC(=S)NNC1=[NH+]CCCCC1 ZINC000306193925 352990907 /nfs/dbraw/zinc/99/09/07/352990907.db2.gz TTWWOLHOTGQLPY-UHFFFAOYSA-N 1 0 200.311 0.557 10 0 BCAERO O[C@@H]1CON(CC[NH+]2CCCCC2)C1 ZINC000306620504 353029810 /nfs/dbraw/zinc/02/98/10/353029810.db2.gz WZCFHUCDUITZBG-JTQLQIEISA-N 1 0 200.282 0.080 10 0 BCAERO CC1(C)CCC([C@H](O)[C@H]([NH3+])CO)CC1 ZINC000306690591 323948866 /nfs/dbraw/zinc/94/88/66/323948866.db2.gz MRFATEOTGWGPFZ-ZJUUUORDSA-N 1 0 201.310 0.883 10 0 BCAERO CCN1CC[C@H](NC(=O)[C@H]([NH3+])CC(C)C)C1=O ZINC000638822700 353003233 /nfs/dbraw/zinc/00/32/33/353003233.db2.gz BLTACGDBKMQSJO-ZJUUUORDSA-N 1 0 241.335 0.097 10 0 BCAERO CCN1CC[C@H](NC(=O)C[C@H]([NH3+])C(C)C)C1=O ZINC000638825909 353007636 /nfs/dbraw/zinc/00/76/36/353007636.db2.gz XWLSZJHWGHWBCP-UWVGGRQHSA-N 1 0 241.335 0.097 10 0 BCAERO CC(=O)N1C(=S)NC(=O)[C@@H]1CCCC[NH3+] ZINC000073296692 187940442 /nfs/dbraw/zinc/94/04/42/187940442.db2.gz FBOZEVNQNDXAJO-ZETCQYMHSA-N 1 0 229.305 0.588 10 0 BCAERO CC(C)(C)OC(=O)N[C@H]1CCCN(C(N)=[NH2+])C1 ZINC000073640636 187940596 /nfs/dbraw/zinc/94/05/96/187940596.db2.gz YIGMSJYDEVDGRN-QMMMGPOBSA-N 1 0 242.323 0.869 10 0 BCAERO O=C(N[C@H]1CCCC12CC2)[C@@H]1COCCN1 ZINC000638832579 353014087 /nfs/dbraw/zinc/01/40/87/353014087.db2.gz RSCNZDYSXIMOEB-UWVGGRQHSA-N 1 0 224.304 0.424 10 0 BCAERO CCCOCC(=O)N1C[C@H](C)[C@H](C[NH3+])C1 ZINC000638889450 353057838 /nfs/dbraw/zinc/05/78/38/353057838.db2.gz ATHIIFASYWQVDP-VHSXEESVSA-N 1 0 214.309 0.466 10 0 BCAERO COCCCC(=O)N1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000638889150 353057985 /nfs/dbraw/zinc/05/79/85/353057985.db2.gz JRXPNFYNKFYXEJ-UWVGGRQHSA-N 1 0 214.309 0.466 10 0 BCAERO Cc1noc(C)c1C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000638889441 353058127 /nfs/dbraw/zinc/05/81/27/353058127.db2.gz VBAIXFDYTKSCFZ-GMSGAONNSA-N 1 0 237.303 0.958 10 0 BCAERO CCOCCC(=O)N1C[C@H](C)[C@H](C[NH3+])C1 ZINC000638890498 353058620 /nfs/dbraw/zinc/05/86/20/353058620.db2.gz SJBUXUAOBLDDMQ-VHSXEESVSA-N 1 0 214.309 0.466 10 0 BCAERO Cc1cc(C(=O)N2C[C@H](C)[C@@H](C[NH3+])C2)no1 ZINC000638890659 353058629 /nfs/dbraw/zinc/05/86/29/353058629.db2.gz XNMNPMWUHTUCDD-CBAPKCEASA-N 1 0 223.276 0.650 10 0 BCAERO CO[C@H](C)C(=O)N1C[C@H](C)[C@H](C[NH3+])C1 ZINC000638890578 353058705 /nfs/dbraw/zinc/05/87/05/353058705.db2.gz CVPWMHIJGFDZBJ-DJLDLDEBSA-N 1 0 200.282 0.075 10 0 BCAERO C[C@H]1CN(C(=O)CC(F)(F)F)C[C@H]1C[NH3+] ZINC000638891155 353059466 /nfs/dbraw/zinc/05/94/66/353059466.db2.gz TTYPEZSWGGVBPD-NKWVEPMBSA-N 1 0 224.226 0.992 10 0 BCAERO C[C@H]1CN(C(=O)c2cncn2C)C[C@H]1C[NH3+] ZINC000638891364 353059636 /nfs/dbraw/zinc/05/96/36/353059636.db2.gz GTWRWHIFHLPFSZ-DTWKUNHWSA-N 1 0 222.292 0.087 10 0 BCAERO C[C@@H]1CN(C(=O)Cc2ccn(C)n2)C[C@@H]1C[NH3+] ZINC000638898235 353061110 /nfs/dbraw/zinc/06/11/10/353061110.db2.gz JMOPGPSKURXUAN-ZJUUUORDSA-N 1 0 236.319 0.016 10 0 BCAERO C[C@H]1CN(C(=O)Cc2ccn(C)n2)C[C@H]1C[NH3+] ZINC000638898234 353061163 /nfs/dbraw/zinc/06/11/63/353061163.db2.gz JMOPGPSKURXUAN-VHSXEESVSA-N 1 0 236.319 0.016 10 0 BCAERO O=C(NC[C@@H]1CCCC[NH2+]C1)C(F)F ZINC000307264355 353064435 /nfs/dbraw/zinc/06/44/35/353064435.db2.gz AWWGNJYXXNHOOP-SSDOTTSWSA-N 1 0 206.236 0.757 10 0 BCAERO C[C@H]1CN(C(=O)Cc2ccncc2)C[C@@H]1C[NH3+] ZINC000638906356 353068074 /nfs/dbraw/zinc/06/80/74/353068074.db2.gz XHMZVAGUTPVGBF-JQWIXIFHSA-N 1 0 233.315 0.677 10 0 BCAERO CC1(C)C[C@@H]1NC(=O)CN1CCC[NH2+]CC1 ZINC000061274474 187956142 /nfs/dbraw/zinc/95/61/42/187956142.db2.gz MZLBSDRSBJSFNC-JTQLQIEISA-N 1 0 225.336 0.196 10 0 BCAERO CCOCC(=O)N1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000638888305 353049412 /nfs/dbraw/zinc/04/94/12/353049412.db2.gz XJRWBKYXKMZUOE-IUCAKERBSA-N 1 0 200.282 0.076 10 0 BCAERO Cc1cc(C(=O)N2C[C@@H](C)[C@@H](C[NH3+])C2)on1 ZINC000638884192 353051417 /nfs/dbraw/zinc/05/14/17/353051417.db2.gz AZULPCPQHYHFFD-APPZFPTMSA-N 1 0 223.276 0.650 10 0 BCAERO C[C@H]1CN(C(=O)c2ccoc2)C[C@@H]1C[NH3+] ZINC000638885399 353052788 /nfs/dbraw/zinc/05/27/88/353052788.db2.gz CPDCCLZIARQTQI-WPRPVWTQSA-N 1 0 208.261 0.946 10 0 BCAERO C[C@@H]1CN(C(=O)c2cn(C)cn2)C[C@H]1C[NH3+] ZINC000638896527 353057541 /nfs/dbraw/zinc/05/75/41/353057541.db2.gz WWEYNQBIXXQXEK-RKDXNWHRSA-N 1 0 222.292 0.087 10 0 BCAERO [NH3+]Cc1ccccc1N1CCCS1(=O)=O ZINC000019414631 188002095 /nfs/dbraw/zinc/00/20/95/188002095.db2.gz UEAZNJFFTAXAMO-UHFFFAOYSA-N 1 0 226.301 0.685 10 0 BCAERO O=C([C@H](F)C1C[NH2+]C1)N1CCSCC1 ZINC000307717767 353108555 /nfs/dbraw/zinc/10/85/55/353108555.db2.gz KDLUVWSTQNAMOW-MRVPVSSYSA-N 1 0 218.297 0.119 10 0 BCAERO [NH3+]CCN1CCC[C@@H](C2OCCO2)C1 ZINC000307723603 353111758 /nfs/dbraw/zinc/11/17/58/353111758.db2.gz VPDWMGGEISBEMB-SECBINFHSA-N 1 0 200.282 0.030 10 0 BCAERO CC1(C)SC[C@@H]1[NH2+][C@H]1CCNC1=O ZINC000307725602 353112120 /nfs/dbraw/zinc/11/21/20/353112120.db2.gz BBRPIVATGJSVHR-BQBZGAKWSA-N 1 0 200.307 0.359 10 0 BCAERO Nc1c[nH+]cc(Br)c1N1CC(O)C1 ZINC000307509291 353080128 /nfs/dbraw/zinc/08/01/28/353080128.db2.gz NUKMDLPIONHFDU-UHFFFAOYSA-N 1 0 244.092 0.607 10 0 BCAERO O=C(NC1CCSCC1)[C@@H]1CC[NH2+]1 ZINC000307559097 353084643 /nfs/dbraw/zinc/08/46/43/353084643.db2.gz FJXJDVYTPXWQCB-QMMMGPOBSA-N 1 0 200.307 0.360 10 0 BCAERO COC(=O)C1=C[C@H]([NH3+])CN(Cc2ccccc2)C1 ZINC000307707038 353094297 /nfs/dbraw/zinc/09/42/97/353094297.db2.gz YKVDHFHPDKSPHR-ZDUSSCGKSA-N 1 0 246.310 0.929 10 0 BCAERO CC(C)[C@@H]1CN(C(C)(C)CO)CC[NH2+]1 ZINC000083343478 188008450 /nfs/dbraw/zinc/00/84/50/188008450.db2.gz BSMMHIMRDVHWSP-JTQLQIEISA-N 1 0 200.326 0.687 10 0 BCAERO Cc1c[nH]nc1-c1nnc(CC[NH3+])s1 ZINC000307747046 353124959 /nfs/dbraw/zinc/12/49/59/353124959.db2.gz XHOVBXBCFLGTNL-UHFFFAOYSA-N 1 0 209.278 0.738 10 0 BCAERO CC(C)(C[NH3+])NC(=O)c1cccc(O)c1 ZINC000063020402 188015165 /nfs/dbraw/zinc/01/51/65/188015165.db2.gz NMWYRAMUFGWEBP-UHFFFAOYSA-N 1 0 208.261 0.859 10 0 BCAERO O=c1ccc(Br)cn1CC1C[NH2+]C1 ZINC000307754975 353130085 /nfs/dbraw/zinc/13/00/85/353130085.db2.gz BXQWOVHWYJFQIL-UHFFFAOYSA-N 1 0 243.104 0.830 10 0 BCAERO CC(C)N(C)C(=O)C[NH2+]CCN(C)C ZINC000020057038 188004217 /nfs/dbraw/zinc/00/42/17/188004217.db2.gz AWPBOQXDJRCSOH-UHFFFAOYSA-N 1 0 201.314 0.004 10 0 BCAERO C[C@@H](Nc1ccc(C(N)=O)cn1)[C@H]1CCC[NH2+]C1 ZINC000050163916 188046055 /nfs/dbraw/zinc/04/60/55/188046055.db2.gz FPYDGLKDEPZJID-ZJUUUORDSA-N 1 0 248.330 0.981 10 0 BCAERO CC(C)N(C)C(=O)CN1C[C@@H](C[NH3+])C[C@H]1C ZINC000126975350 188047572 /nfs/dbraw/zinc/04/75/72/188047572.db2.gz SAYIPUFGFZZASO-GHMZBOCLSA-N 1 0 227.352 0.522 10 0 BCAERO O=C(NC[C@@H]1CC[NH2+]C1)c1ccc(F)cn1 ZINC000130016289 188048889 /nfs/dbraw/zinc/04/88/89/188048889.db2.gz WDBNYOCCUXLXIB-MRVPVSSYSA-N 1 0 223.251 0.560 10 0 BCAERO C[C@H](CC1CCC1)NC(=O)[C@H]1C[NH2+]CCOC1 ZINC000638998889 353245121 /nfs/dbraw/zinc/24/51/21/353245121.db2.gz WXOZPKHCCNFDOB-PWSUYJOCSA-N 1 0 240.347 0.917 10 0 BCAERO O=S1(=O)CCC[C@H]([NH2+][C@H]2CCC[C@@H](O)C2)C1 ZINC000225603612 538113725 /nfs/dbraw/zinc/11/37/25/538113725.db2.gz UVSWVJMPMUPEAU-GARJFASQSA-N 1 0 247.360 0.457 10 0 BCAERO C[C@H](CC(=O)[O-])[N@@H+]1C[C@H](C)C[C@@H]([NH3+])C1 ZINC000252196823 363211312 /nfs/dbraw/zinc/21/13/12/363211312.db2.gz VQKCDTVDUJYEIK-IWSPIJDZSA-N 1 0 200.282 0.519 10 0 BCAERO CC(C)CNC(=O)NC[C@H]1CN(C)CCO1 ZINC000104776711 188254536 /nfs/dbraw/zinc/25/45/36/188254536.db2.gz XUWIKWMBRAKAFX-JTQLQIEISA-N 1 0 229.324 0.272 10 0 BCAERO [NH3+][C@@H](C(=O)NCCn1cccn1)c1ccccc1 ZINC000042542283 188257943 /nfs/dbraw/zinc/25/79/43/188257943.db2.gz XCCRIIVHMOAJRF-GFCCVEGCSA-N 1 0 244.298 0.699 10 0 BCAERO NC(=O)c1ccccc1CN1CCC[NH2+]CC1 ZINC000019427756 188280432 /nfs/dbraw/zinc/28/04/32/188280432.db2.gz FIQBMMIORXRKNF-UHFFFAOYSA-N 1 0 233.315 0.581 10 0 BCAERO Cc1ccc(CNC(=O)C[C@H](C)[NH3+])n1C ZINC000037476441 188280721 /nfs/dbraw/zinc/28/07/21/188280721.db2.gz SBSKSZSKYOESNB-QMMMGPOBSA-N 1 0 209.293 0.687 10 0 BCAERO [NH3+]Cc1ccccc1O[C@H]1CCOC1=O ZINC000037698969 188282102 /nfs/dbraw/zinc/28/21/02/188282102.db2.gz HVKUFGGUORHBSB-JTQLQIEISA-N 1 0 207.229 0.840 10 0 BCAERO Cc1nn(Cc2cnn(C)c2)c(C)c1C[NH3+] ZINC000036868377 188286063 /nfs/dbraw/zinc/28/60/63/188286063.db2.gz BXYPNZRSWZMPPH-UHFFFAOYSA-N 1 0 219.292 0.740 10 0 BCAERO CC(C)(C)c1nnc(CN2CC[NH2+]CC2)o1 ZINC000037399625 188287664 /nfs/dbraw/zinc/28/76/64/188287664.db2.gz AAKLGPXRDRNZLK-UHFFFAOYSA-N 1 0 224.308 0.772 10 0 BCAERO CCC[NH2+][C@@H](C(N)=O)c1ccc(OC)c(O)c1 ZINC000037870148 188288805 /nfs/dbraw/zinc/28/88/05/188288805.db2.gz YJWZJWRMBGDFBP-LLVKDONJSA-N 1 0 238.287 0.927 10 0 BCAERO COc1ccc([C@@H](O)[C@H]([NH3+])CO)cc1Cl ZINC000077362160 188290661 /nfs/dbraw/zinc/29/06/61/188290661.db2.gz IPBSCDAQPIHWJD-PSASIEDQSA-N 1 0 231.679 0.702 10 0 BCAERO C[N@@H+]1CC[C@H](NC(=O)[C@@H]2Cc3ccccc3N2)C1 ZINC000042548920 188293475 /nfs/dbraw/zinc/29/34/75/188293475.db2.gz BUGFLBAWOZHQSK-AAEUAGOBSA-N 1 0 245.326 0.844 10 0 BCAERO CCc1nccn1-c1c(C[NH3+])c(C)nn1C ZINC000042420067 188293760 /nfs/dbraw/zinc/29/37/60/188293760.db2.gz FDHYUSPTIRAXLO-UHFFFAOYSA-N 1 0 219.292 0.935 10 0 BCAERO COCCN(CCOC)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000042442592 188293767 /nfs/dbraw/zinc/29/37/67/188293767.db2.gz PQDSBCPKDFMTAX-NWDGAFQWSA-N 1 0 230.352 0.851 10 0 BCAERO CC(C)[N@H+](CCO)CCn1cc(N)ccc1=O ZINC000042478198 188294113 /nfs/dbraw/zinc/29/41/13/188294113.db2.gz HZTYWNASUQGGJP-UHFFFAOYSA-N 1 0 239.319 0.133 10 0 BCAERO COc1ccc(CCN2CC[C@H]([NH3+])C2=O)cc1 ZINC000049647295 188299257 /nfs/dbraw/zinc/29/92/57/188299257.db2.gz OBWXQDYYRIMPLT-LBPRGKRZSA-N 1 0 234.299 0.797 10 0 BCAERO [NH3+]Cc1ccccc1S(=O)(=O)NC1CCC1 ZINC000052209938 188299991 /nfs/dbraw/zinc/29/99/91/188299991.db2.gz PUQVLDIEIKURIP-UHFFFAOYSA-N 1 0 240.328 0.976 10 0 BCAERO CC(C)(NC(=O)[C@@H]1CCC[C@H](C[NH3+])C1)C(N)=O ZINC000055161925 188300089 /nfs/dbraw/zinc/30/00/89/188300089.db2.gz IWNZIKRORHQFPV-DTWKUNHWSA-N 1 0 241.335 0.132 10 0 BCAERO C[N@@H+]1CCC[C@@H](CN[C@@H]2CCCNC2=O)C1 ZINC000054243856 188300618 /nfs/dbraw/zinc/30/06/18/188300618.db2.gz YEFRPUMYDXBBLJ-WDEREUQCSA-N 1 0 225.336 0.196 10 0 BCAERO CC(=O)NCCN1CCC[C@@H](C[NH2+]C(C)C)C1 ZINC000063139246 188303923 /nfs/dbraw/zinc/30/39/23/188303923.db2.gz SGGIPRRZDFPHOG-ZDUSSCGKSA-N 1 0 241.379 0.833 10 0 BCAERO O=C(N[C@H]1CCCSC1)[C@H]1CCC[NH2+]1 ZINC000129157733 353306068 /nfs/dbraw/zinc/30/60/68/353306068.db2.gz ACMFSUNLCSXARZ-DTWKUNHWSA-N 1 0 214.334 0.750 10 0 BCAERO CCOC(=O)[C@@H]1C[C@@H]2CC(=O)C[C@H](C1)[NH2+]2 ZINC000261508954 188259912 /nfs/dbraw/zinc/25/99/12/188259912.db2.gz YPFLZILYILGHIK-PSVAKVPMSA-N 1 0 211.261 0.649 10 0 BCAERO c1cc2c(c(NC3=[NH+]CCN3)c1)OCO2 ZINC000095777251 188321564 /nfs/dbraw/zinc/32/15/64/188321564.db2.gz OELABXJHQWYOOD-UHFFFAOYSA-N 1 0 205.217 0.786 10 0 BCAERO C(C1CC1)N1CCOCC12CC[NH2+]CC2 ZINC000096226207 188321739 /nfs/dbraw/zinc/32/17/39/188321739.db2.gz MRQHDZIQHRNJBA-UHFFFAOYSA-N 1 0 210.321 0.851 10 0 BCAERO CC[C@@H](O)C[N@H+]1C[C@H](N(C)C)[C@@H](C)C1 ZINC000308468112 353334003 /nfs/dbraw/zinc/33/40/03/353334003.db2.gz HUHUVXFDFQMHAQ-AXFHLTTASA-N 1 0 200.326 0.639 10 0 BCAERO CC(=O)N1CCN([C@@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000086409804 188318284 /nfs/dbraw/zinc/31/82/84/188318284.db2.gz QZBDIOHJJKOYKZ-GHMZBOCLSA-N 1 0 211.309 0.030 10 0 BCAERO CC(=O)Oc1cccc(C2(N)C[NH2+]C2)c1 ZINC000091691774 188319516 /nfs/dbraw/zinc/31/95/16/188319516.db2.gz BFYBQETVQUOHHB-UHFFFAOYSA-N 1 0 206.245 0.369 10 0 BCAERO CC(C)CSCC(=O)N1CC[NH2+]CC1 ZINC000043402989 188324706 /nfs/dbraw/zinc/32/47/06/188324706.db2.gz WNYKLWAVKNELJC-UHFFFAOYSA-N 1 0 216.350 0.807 10 0 BCAERO C[NH2+][C@@H]1CCN(C[C@@H]2CCCOC2)C1=O ZINC000044982080 188326212 /nfs/dbraw/zinc/32/62/12/188326212.db2.gz SGVHGTXIDXUICS-VHSXEESVSA-N 1 0 212.293 0.233 10 0 BCAERO CC(=O)NC(=O)C[NH2+]Cc1ccccc1 ZINC000165489304 353366147 /nfs/dbraw/zinc/36/61/47/353366147.db2.gz AWGUNKKCFXZGCF-UHFFFAOYSA-N 1 0 206.245 0.439 10 0 BCAERO NC(=O)[C@@H]([NH3+])Cc1nc2ccccc2s1 ZINC000129542036 353353925 /nfs/dbraw/zinc/35/39/25/353353925.db2.gz MGWQWGBYUMFABP-LURJTMIESA-N 1 0 221.285 0.651 10 0 BCAERO C(CN1CCOCC1)O[C@@H]1CCC[NH2+]C1 ZINC000019965449 188352360 /nfs/dbraw/zinc/35/23/60/188352360.db2.gz VIWXKSPRMRLKPH-LLVKDONJSA-N 1 0 214.309 0.087 10 0 BCAERO CC(C)N(C)C(=O)CN1CC[NH2+]C[C@H]1C ZINC000054373932 188354205 /nfs/dbraw/zinc/35/42/05/188354205.db2.gz DHLAWPYZUOAUGF-SNVBAGLBSA-N 1 0 213.325 0.147 10 0 BCAERO CC(=O)CC(=O)OCC[NH+]1CCCCC1 ZINC000022009864 188355409 /nfs/dbraw/zinc/35/54/09/188355409.db2.gz BBCFOMHGZMWTHH-UHFFFAOYSA-N 1 0 213.277 0.995 10 0 BCAERO CC(C)[C@H](C[NH3+])C(=O)N1CCCOCC1 ZINC000061918847 188360404 /nfs/dbraw/zinc/36/04/04/188360404.db2.gz RYCJIFLLTDBDPW-JTQLQIEISA-N 1 0 214.309 0.466 10 0 BCAERO CC(C)(C[NH3+])C(=O)NC[C@H]1CCOC1 ZINC000061146842 188360661 /nfs/dbraw/zinc/36/06/61/188360661.db2.gz MLADNKMTCNJRHE-MRVPVSSYSA-N 1 0 200.282 0.124 10 0 BCAERO CC(=O)N1C[C@@H]([NH3+])CC[C@@H]1C(F)(F)F ZINC000238856740 188370109 /nfs/dbraw/zinc/37/01/09/188370109.db2.gz XBNMCHLRVSHTQD-NKWVEPMBSA-N 1 0 210.199 0.887 10 0 BCAERO C[N@H+](CCCCCO)[C@H]1CCC[C@@H]1O ZINC000227106141 363228039 /nfs/dbraw/zinc/22/80/39/363228039.db2.gz WBFWFGBIKCTUHD-QWRGUYRKSA-N 1 0 201.310 0.994 10 0 BCAERO OC[C@H]1C[C@@H](O)CN1Cc1c(F)cccc1F ZINC000274218162 188378675 /nfs/dbraw/zinc/37/86/75/188378675.db2.gz YGBCAXSTOMJFJC-RKDXNWHRSA-N 1 0 243.253 0.892 10 0 BCAERO COc1cccc(CC(=O)N(C)C2C[NH2+]C2)c1 ZINC000090289720 188403761 /nfs/dbraw/zinc/40/37/61/188403761.db2.gz ZMJCYGOCAAOUQI-UHFFFAOYSA-N 1 0 234.299 0.668 10 0 BCAERO CN(Cc1ccnn1C)[C@H]1CCC[NH2+]CC1 ZINC000231462299 353605888 /nfs/dbraw/zinc/60/58/88/353605888.db2.gz DILPXVYNYPKQLS-NSHDSACASA-N 1 0 222.336 0.994 10 0 BCAERO CN(C(=O)[C@@H]1COCCO1)[C@@H]1CCC[NH2+]CC1 ZINC000231475468 353606292 /nfs/dbraw/zinc/60/62/92/353606292.db2.gz ZRCZWWDXXJNPLM-MNOVXSKESA-N 1 0 242.319 0.002 10 0 BCAERO CCCS(=O)(=O)N1C[C@H]([NH3+])[C@@H](C)C1 ZINC000233257489 353808982 /nfs/dbraw/zinc/80/89/82/353808982.db2.gz MSVQKDLPMNVFFL-YUMQZZPRSA-N 1 0 206.311 0.005 10 0 BCAERO Fc1cnc(OC[C@H]2CCC[NH2+]C2)nc1 ZINC000095072032 181018483 /nfs/dbraw/zinc/01/84/83/181018483.db2.gz XIFDSWVMLLQYMQ-QMMMGPOBSA-N 1 0 211.240 0.994 10 0 BCAERO CCC1(C(=O)NC[C@H]2C[NH2+]C[C@@H]2O)CCCC1 ZINC000262087644 535248207 /nfs/dbraw/zinc/24/82/07/535248207.db2.gz CTACQYOPRSGYHT-MNOVXSKESA-N 1 0 240.347 0.653 10 0 BCAERO CC1(C)[C@@H]([NH3+])[C@]12CCCS(=O)(=O)C2 ZINC000301038348 363359149 /nfs/dbraw/zinc/35/91/49/363359149.db2.gz YAPKDJFNTHTPCN-VXNVDRBHSA-N 1 0 203.307 0.549 10 0 BCAERO COCCN1CC[C@@H]([NH2+]CC2CC(O)C2)C1 ZINC000328268407 324366803 /nfs/dbraw/zinc/36/68/03/324366803.db2.gz OVKKFDQVDMBMHL-MOENNCHZSA-N 1 0 228.336 0.068 10 0 BCAERO CO[C@H]1C[C@@H](CN(C)Cc2c[nH]cn2)[N@H+](C)C1 ZINC000344497794 354288492 /nfs/dbraw/zinc/28/84/92/354288492.db2.gz RGGLRQDSOFFYBN-RYUDHWBXSA-N 1 0 238.335 0.561 10 0 BCAERO O=C(N1CCCC1)C1(F)CC[NH2+]CC1 ZINC000014984820 363368350 /nfs/dbraw/zinc/36/83/50/363368350.db2.gz HXGZWOXDOAJBEF-UHFFFAOYSA-N 1 0 200.257 0.701 10 0 BCAERO Cn1c(Cl)cnc1[C@@H]1OCC[C@@H]1[NH3+] ZINC000301040728 363369328 /nfs/dbraw/zinc/36/93/28/363369328.db2.gz WEMOLFPUJWSYQF-CAHLUQPWSA-N 1 0 201.657 0.862 10 0 BCAERO [NH3+][C@H]1CS(=O)(=O)C[C@@H]1c1ccccc1 ZINC000004226950 354335709 /nfs/dbraw/zinc/33/57/09/354335709.db2.gz VQAFTUFHYRBINW-ZJUUUORDSA-N 1 0 211.286 0.526 10 0 BCAERO CC[C@@H]([NH3+])[C@@H](O)c1ncc(Cl)n1C ZINC000301048078 363379772 /nfs/dbraw/zinc/37/97/72/363379772.db2.gz ZBFYUCRBSUBFQS-IYSWYEEDSA-N 1 0 203.673 0.844 10 0 BCAERO C/C(=C/Cl)CN1CC[NH2+]C[C@H](O)C1 ZINC000308204944 354872577 /nfs/dbraw/zinc/87/25/77/354872577.db2.gz SELKYXXDOSXQRG-OTOXVQDCSA-N 1 0 204.701 0.395 10 0 BCAERO CO[C@]1(C[N@@H+]2C[C@H](C)C[C@H](O)C2)CCOC1 ZINC000639241638 355227023 /nfs/dbraw/zinc/22/70/23/355227023.db2.gz KXHVWGMJRHVPMH-WOPDTQHZSA-N 1 0 229.320 0.495 10 0 BCAERO NC(=[NH2+])COc1ccc2c(c1)CCC(=O)N2 ZINC000019507862 181187160 /nfs/dbraw/zinc/18/71/60/181187160.db2.gz PISLOCZIJJYVLX-UHFFFAOYSA-N 1 0 219.244 0.886 10 0 BCAERO NC(=[NH2+])c1cc(I)ccn1 ZINC000071186744 181194528 /nfs/dbraw/zinc/19/45/28/181194528.db2.gz HNNDHGOVFNWQTD-UHFFFAOYSA-N 1 0 247.039 0.970 10 0 BCAERO NC(=[NH2+])c1cccnc1Sc1nc[nH]n1 ZINC000019848049 181196348 /nfs/dbraw/zinc/19/63/48/181196348.db2.gz ROIQNQFQECEQLF-UHFFFAOYSA-N 1 0 220.261 0.635 10 0 BCAERO COC[C@H](C[N@@H+]1CC[C@H](CCO)C1)OC ZINC000659952090 491079928 /nfs/dbraw/zinc/07/99/28/491079928.db2.gz GYYODJTWZXJAFT-MNOVXSKESA-N 1 0 217.309 0.352 10 0 BCAERO C[C@H]1COCCN1C(=O)CC1CC[NH+](C)CC1 ZINC000335828436 355555120 /nfs/dbraw/zinc/55/51/20/355555120.db2.gz RWOZSPMJOFPACW-NSHDSACASA-N 1 0 240.347 0.966 10 0 BCAERO OC[C@H]1C[C@@H](F)CN1Cc1cccnc1 ZINC000335816514 355506739 /nfs/dbraw/zinc/50/67/39/355506739.db2.gz OBGWOWJEBCVVGX-GHMZBOCLSA-N 1 0 210.252 0.986 10 0 BCAERO OC[C@H]1C[C@H](F)CN1Cc1cccnc1 ZINC000335816517 355507007 /nfs/dbraw/zinc/50/70/07/355507007.db2.gz OBGWOWJEBCVVGX-WDEREUQCSA-N 1 0 210.252 0.986 10 0 BCAERO NC(=[NH2+])c1ccnc(N2[C@@H]3CC[C@H]2CC(O)C3)c1 ZINC000104256696 181197351 /nfs/dbraw/zinc/19/73/51/181197351.db2.gz FBJZRGKKMIWHJV-ZACCUICWSA-N 1 0 246.314 0.858 10 0 BCAERO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC(=O)N(C)C2)CS1 ZINC000639319621 355719777 /nfs/dbraw/zinc/71/97/77/355719777.db2.gz FRSMKNXXAJSPAM-UTLUCORTSA-N 1 0 228.361 0.948 10 0 BCAERO CC[N@@H+]1CC[C@@H](NC(=O)COC(C)C)C1 ZINC000389153469 355736476 /nfs/dbraw/zinc/73/64/76/355736476.db2.gz KBVSBAVXGWRGHX-SNVBAGLBSA-N 1 0 214.309 0.622 10 0 BCAERO CO[C@@](C)(C[NH2+]C[C@@H]1CC(=O)N(C)C1)C1CC1 ZINC000639322569 355723619 /nfs/dbraw/zinc/72/36/19/355723619.db2.gz WKGNMHDMNITYIT-GWCFXTLKSA-N 1 0 240.347 0.869 10 0 BCAERO O[C@@H]1COCC[C@@H]1[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000639354147 355804300 /nfs/dbraw/zinc/80/43/00/355804300.db2.gz DVIPEZNOTROCPW-KZZRWZIVSA-N 1 0 211.305 0.772 10 0 BCAERO C[C@@H](O)C[NH2+]CC(=O)NCc1ccccc1 ZINC000035101849 355807443 /nfs/dbraw/zinc/80/74/43/355807443.db2.gz CPVOTOFEZGKHJI-SNVBAGLBSA-N 1 0 222.288 0.273 10 0 BCAERO Cn1cc(C(=O)OC(C)(C)C)c(C[NH3+])n1 ZINC000584879886 355809052 /nfs/dbraw/zinc/80/90/52/355809052.db2.gz GFAUXVDSWFWTQQ-UHFFFAOYSA-N 1 0 211.265 0.834 10 0 BCAERO NC(=O)C1CCC([NH2+]Cc2cnccn2)CC1 ZINC000054766384 181216707 /nfs/dbraw/zinc/21/67/07/181216707.db2.gz GUSLFRTXVLENHH-UHFFFAOYSA-N 1 0 234.303 0.610 10 0 BCAERO c1nn[nH]c1C[NH2+][C@H]1CO[C@@H](C2CC2)C1 ZINC000628364097 355851272 /nfs/dbraw/zinc/85/12/72/355851272.db2.gz MCDVQGXTJIQEIF-PSASIEDQSA-N 1 0 208.265 0.462 10 0 BCAERO NC(=O)C1CCC([NH2+][C@@H]2CCCC[C@@H]2O)CC1 ZINC000038091877 181216615 /nfs/dbraw/zinc/21/66/15/181216615.db2.gz HVSDGJHNMLRYJP-HCWSGVFWSA-N 1 0 240.347 0.924 10 0 BCAERO NC(=O)CC1CCN([C@H]2CCC[C@H]2[NH3+])CC1 ZINC000042438605 181220355 /nfs/dbraw/zinc/22/03/55/181220355.db2.gz HNYKTPQVPFQBSZ-MNOVXSKESA-N 1 0 225.336 0.454 10 0 BCAERO NC(=O)CC1CCN([C@@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000042438609 181220367 /nfs/dbraw/zinc/22/03/67/181220367.db2.gz NSRVSEUKXSBQSG-NWDGAFQWSA-N 1 0 239.363 0.844 10 0 BCAERO NC(=O)CC1CCN([C@H]2CCC[NH2+]C2)CC1 ZINC000043501353 181220025 /nfs/dbraw/zinc/22/00/25/181220025.db2.gz ILIWKNKWMKLPGY-NSHDSACASA-N 1 0 225.336 0.326 10 0 BCAERO NC(=O)CC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000029630399 181224118 /nfs/dbraw/zinc/22/41/18/181224118.db2.gz FSZYMCIRSHTXNH-UHFFFAOYSA-N 1 0 247.342 0.680 10 0 BCAERO NC(=O)CNCC(=O)Nc1ccccc1Cl ZINC000020056883 181235622 /nfs/dbraw/zinc/23/56/22/181235622.db2.gz RGFUIYXXIMYDIU-UHFFFAOYSA-N 1 0 241.678 0.353 10 0 BCAERO NC(=O)C[NH2+][C@H]1CCCc2cc(O)ccc21 ZINC000044746485 181236850 /nfs/dbraw/zinc/23/68/50/181236850.db2.gz XTHAGPKCHNZAFD-NSHDSACASA-N 1 0 220.272 0.845 10 0 BCAERO NC(=O)CCn1c(N)[nH+]c2cc(F)ccc21 ZINC000036899851 181227482 /nfs/dbraw/zinc/22/74/82/181227482.db2.gz QJFZBZXOCAFILO-UHFFFAOYSA-N 1 0 222.223 0.633 10 0 BCAERO NC(=O)CC[C@H]([NH3+])c1ccc2c(c1)CC(=O)N2 ZINC000037635922 181228103 /nfs/dbraw/zinc/22/81/03/181228103.db2.gz RQUDRYQECVRRNF-VIFPVBQESA-N 1 0 233.271 0.447 10 0 BCAERO NC(=O)CCn1ccc2c1CCC[C@@H]2[NH3+] ZINC000041730852 181228240 /nfs/dbraw/zinc/22/82/40/181228240.db2.gz ZWZWKVCNIGCQGG-VIFPVBQESA-N 1 0 207.277 0.700 10 0 BCAERO NC(=O)Cn1c(N)[nH+]c2ccc(F)cc21 ZINC000052122751 181248277 /nfs/dbraw/zinc/24/82/77/181248277.db2.gz BCFKKDATDOFGBM-UHFFFAOYSA-N 1 0 208.196 0.243 10 0 BCAERO NC(=O)NC(=O)C[NH2+]CC1CCCCC1 ZINC000037248263 181254152 /nfs/dbraw/zinc/25/41/52/181254152.db2.gz JEZYCJSZJLCGRX-UHFFFAOYSA-N 1 0 213.281 0.351 10 0 BCAERO Cc1[nH]ccc(=NC[C@H]2C[NH2+]C[C@@H]2O)c1Cl ZINC000420249999 192186648 /nfs/dbraw/zinc/18/66/48/192186648.db2.gz YRWKPCVBJISGSG-SCZZXKLOSA-N 1 0 241.722 0.458 10 0 BCAERO NC(=O)[C@@H](COCC1CCOCC1)[NH2+]C1CC1 ZINC000052170499 181265214 /nfs/dbraw/zinc/26/52/14/181265214.db2.gz DEIVHXHHWNTHBM-LLVKDONJSA-N 1 0 242.319 0.036 10 0 BCAERO NC(=O)[C@@H](C1CCCCC1)N1CC[NH2+]CC1 ZINC000037945637 181263758 /nfs/dbraw/zinc/26/37/58/181263758.db2.gz MRGKBYGUXYIVRQ-LLVKDONJSA-N 1 0 225.336 0.326 10 0 BCAERO NC(=O)[C@@H]([NH3+])CCn1cnc2ccccc21 ZINC000062535363 181264507 /nfs/dbraw/zinc/26/45/07/181264507.db2.gz VHULFEVTJPQXFV-QMMMGPOBSA-N 1 0 218.260 0.239 10 0 BCAERO NC(=O)[C@@H]([NH3+])CCn1cc(-c2ccccc2)cn1 ZINC000062538757 181264925 /nfs/dbraw/zinc/26/49/25/181264925.db2.gz WJXSDZMRWAPTML-LBPRGKRZSA-N 1 0 244.298 0.753 10 0 BCAERO NC(=O)[C@@H]1C[NH2+]C[C@H](c2ccccc2)C1 ZINC000082162757 181272353 /nfs/dbraw/zinc/27/23/53/181272353.db2.gz FLBLONKUAGMTEW-MNOVXSKESA-N 1 0 204.273 0.865 10 0 BCAERO C[C@@H](C[NH3+])Nc1ccnc2cccnc21 ZINC000379220997 356433134 /nfs/dbraw/zinc/43/31/34/356433134.db2.gz SWSJLRJAQMOPDJ-QMMMGPOBSA-N 1 0 202.261 0.811 10 0 BCAERO NC(=O)[C@H]([NH3+])CCN1CCc2ccccc21 ZINC000062439234 181277281 /nfs/dbraw/zinc/27/72/81/181277281.db2.gz WEFTXWAZNAMAAO-SNVBAGLBSA-N 1 0 219.288 0.252 10 0 BCAERO NC(=O)[C@H](c1ccsc1)N1CCC[NH2+]CC1 ZINC000037943765 181279281 /nfs/dbraw/zinc/27/92/81/181279281.db2.gz NFDGWKVXKSKLFF-JTQLQIEISA-N 1 0 239.344 0.570 10 0 BCAERO NC(=O)[C@]1(O)CCC[N@H+](CCCCCF)C1 ZINC000375498405 181285014 /nfs/dbraw/zinc/28/50/14/181285014.db2.gz LNPZMCGHURJHLU-NSHDSACASA-N 1 0 232.299 0.438 10 0 BCAERO NC(=O)[C@H]1CCCN1c1cc(N)cc[nH+]1 ZINC000043568136 181281680 /nfs/dbraw/zinc/28/16/80/181281680.db2.gz LUCRVBGEGAGXGT-MRVPVSSYSA-N 1 0 206.249 0.118 10 0 BCAERO Fc1ccc(NCCCN2CC[NH2+]CC2)nc1 ZINC000041075096 358506216 /nfs/dbraw/zinc/50/62/16/358506216.db2.gz QKDLQSATUSJWSO-UHFFFAOYSA-N 1 0 238.310 0.928 10 0 BCAERO C[C@@H]1C[C@H](C(=O)N2C[C@H](C)[C@@H](C[NH3+])C2)[C@H](C)O1 ZINC000630090816 363491959 /nfs/dbraw/zinc/49/19/59/363491959.db2.gz DFFMHADODAJEFJ-OSUNSFLBSA-N 1 0 240.347 0.853 10 0 BCAERO CCCCOC[C@H](O)C[N@@H+]1CCC[C@@H]1CO ZINC000193247938 134139546 /nfs/dbraw/zinc/13/95/46/134139546.db2.gz ARUQGUVDWQGXSJ-VXGBXAGGSA-N 1 0 231.336 0.621 10 0 BCAERO C[C@H](CO)[NH2+]Cc1cnc2ccnn2c1 ZINC000380302941 356583728 /nfs/dbraw/zinc/58/37/28/356583728.db2.gz FBBALCFOAKEELH-MRVPVSSYSA-N 1 0 206.249 0.200 10 0 BCAERO Cc1nocc1C(=O)N1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000630092530 363516147 /nfs/dbraw/zinc/51/61/47/363516147.db2.gz QWTBUTJCABBLJB-APPZFPTMSA-N 1 0 223.276 0.650 10 0 BCAERO [NH3+]C[C@H]1COCCN1Cc1ccsc1 ZINC000129748486 356643191 /nfs/dbraw/zinc/64/31/91/356643191.db2.gz OBISMUJDUBEXMG-JTQLQIEISA-N 1 0 212.318 0.908 10 0 BCAERO CC(=O)N1CCOc2ccccc2[C@H]1C[NH3+] ZINC000675058035 538480704 /nfs/dbraw/zinc/48/07/04/538480704.db2.gz QESSOBYNCMEFNV-LLVKDONJSA-N 1 0 220.272 0.927 10 0 BCAERO Cn1ccnc1[C@H]1[C@@H](C[NH3+])CCC(=O)N1C1CC1 ZINC000675058753 538481809 /nfs/dbraw/zinc/48/18/09/538481809.db2.gz WNKAFLHNJLTKGO-BXKDBHETSA-N 1 0 248.330 0.821 10 0 BCAERO CCC[C@@]1(C[NH3+])CN(C(=O)CC)CCO1 ZINC000675058828 538481816 /nfs/dbraw/zinc/48/18/16/538481816.db2.gz AFYFUJXFOMLEBI-LLVKDONJSA-N 1 0 214.309 0.753 10 0 BCAERO CC1(C(=O)NC[C@]2(C)C[NH2+]CCO2)CC1 ZINC000675059116 538483149 /nfs/dbraw/zinc/48/31/49/538483149.db2.gz KTVQRULQLRAZAE-NSHDSACASA-N 1 0 212.293 0.281 10 0 BCAERO CC1(C(=O)NC[C@@]2(C)C[NH2+]CCO2)CC1 ZINC000675059115 538483195 /nfs/dbraw/zinc/48/31/95/538483195.db2.gz KTVQRULQLRAZAE-LLVKDONJSA-N 1 0 212.293 0.281 10 0 BCAERO CCC[C@@]1(CNC(=O)NC(C)C)C[NH2+]CCO1 ZINC000675059151 538483531 /nfs/dbraw/zinc/48/35/31/538483531.db2.gz MBUQANDDYQVDKS-LBPRGKRZSA-N 1 0 243.351 0.853 10 0 BCAERO CNS(=O)(=O)CC[C@@H]([NH3+])C1CCCC1 ZINC000675051092 538473618 /nfs/dbraw/zinc/47/36/18/538473618.db2.gz KTMKONFMIHYDGE-SECBINFHSA-N 1 0 220.338 0.443 10 0 BCAERO CC(C)CC(=O)N(C1C[NH2+]C1)C1COC1 ZINC000675056032 538477079 /nfs/dbraw/zinc/47/70/79/538477079.db2.gz IRTQZUXGMNMFDH-UHFFFAOYSA-N 1 0 212.293 0.232 10 0 BCAERO O=S1(=O)CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000675059619 538483947 /nfs/dbraw/zinc/48/39/47/538483947.db2.gz KMMTZDYTJNTGJS-UWVGGRQHSA-N 1 0 217.334 0.811 10 0 BCAERO CC[NH2+]C1CCC2(CS(=O)(=O)C2)CC1 ZINC000675056225 538477956 /nfs/dbraw/zinc/47/79/56/538477956.db2.gz FLEIUOPCRUGVCD-UHFFFAOYSA-N 1 0 217.334 0.953 10 0 BCAERO CC(C)CC(=O)N1CCO[C@](C)(C[NH3+])C1 ZINC000675059242 538484440 /nfs/dbraw/zinc/48/44/40/538484440.db2.gz MHYCKPYELWMSGU-LLVKDONJSA-N 1 0 214.309 0.609 10 0 BCAERO CC(C)C(=O)N1CCO[C@@](C)(C[NH3+])C1 ZINC000675060021 538484889 /nfs/dbraw/zinc/48/48/89/538484889.db2.gz ZORQRVUSDNZILA-JTQLQIEISA-N 1 0 200.282 0.219 10 0 BCAERO C[NH+](C)[C@@H]1CCCN(C[C@@H]2CC[C@H](CO)O2)C1 ZINC000675059928 538484996 /nfs/dbraw/zinc/48/49/96/538484996.db2.gz YIEBDZZCTAUVFY-FRRDWIJNSA-N 1 0 242.363 0.552 10 0 BCAERO CCC(=O)N[C@@H]1C[NH2+]C[C@@H]1C(F)(F)F ZINC000675059658 538485102 /nfs/dbraw/zinc/48/51/02/538485102.db2.gz KVNPLURTSORQMP-NTSWFWBYSA-N 1 0 210.199 0.663 10 0 BCAERO CC(C)[C@H](C)NC(=O)NC[C@@]1(C)C[NH2+]CCO1 ZINC000675059722 538485236 /nfs/dbraw/zinc/48/52/36/538485236.db2.gz VRNCWERPMSKZQX-CMPLNLGQSA-N 1 0 243.351 0.709 10 0 BCAERO CCC[C@]1(CNC(C)=O)C[NH2+]CCO1 ZINC000675059914 538485427 /nfs/dbraw/zinc/48/54/27/538485427.db2.gz XVXBZISXTWCCOV-SNVBAGLBSA-N 1 0 200.282 0.281 10 0 BCAERO CCCNC(=O)N1CCO[C@](C)(C[NH3+])C1 ZINC000675059894 538486145 /nfs/dbraw/zinc/48/61/45/538486145.db2.gz XGGIMUZLDQNWJR-SNVBAGLBSA-N 1 0 215.297 0.156 10 0 BCAERO CC[C@@]1(CNC(=O)CC2CC2)C[NH2+]CCO1 ZINC000675059852 538486215 /nfs/dbraw/zinc/48/62/15/538486215.db2.gz WGSMBUWMDXCTQX-LBPRGKRZSA-N 1 0 226.320 0.671 10 0 BCAERO O=C1NCCC[NH2+][C@H]1Cc1ccncc1 ZINC000675068762 538497013 /nfs/dbraw/zinc/49/70/13/538497013.db2.gz SKKYPGRVQUTJCA-JTQLQIEISA-N 1 0 205.261 0.102 10 0 BCAERO C[C@H]1C[C@H](O)C[N@@H+]([C@@H]2CCCC[C@H]2O)C1 ZINC000401501345 538490455 /nfs/dbraw/zinc/49/04/55/538490455.db2.gz OSOBVRGHHJXNRY-NNYUYHANSA-N 1 0 213.321 0.993 10 0 BCAERO CCS(=O)(=O)NC[C@@]12C[C@@H]1CCC[NH2+]2 ZINC000675070198 538500015 /nfs/dbraw/zinc/50/00/15/538500015.db2.gz NBPMCVTULQCMCM-IUCAKERBSA-N 1 0 218.322 0.068 10 0 BCAERO COCC(=O)NC[C@@H]1C[C@@H]2C[C@H]([NH3+])[C@H]2C1 ZINC000675070597 538501033 /nfs/dbraw/zinc/50/10/33/538501033.db2.gz PTQCQVYXLJVXCD-IMSYWVGJSA-N 1 0 212.293 0.122 10 0 BCAERO COCCNC(=O)N[C@@H]1C[C@@H]2C[C@@H](C[NH3+])C[C@H]12 ZINC000675070813 538501105 /nfs/dbraw/zinc/50/11/05/538501105.db2.gz SUNFUHZTLGPQGX-VPOLOUISSA-N 1 0 241.335 0.305 10 0 BCAERO COCC(=O)N[C@@H]1C[C@@H]2C[C@H](C[NH3+])C[C@@H]12 ZINC000675070700 538501276 /nfs/dbraw/zinc/50/12/76/538501276.db2.gz RZYXRWVCSHKZET-AXTSPUMRSA-N 1 0 212.293 0.122 10 0 BCAERO CCOC(=O)c1cc2n(n1)CCC[C@H]2[NH3+] ZINC000675070529 538501694 /nfs/dbraw/zinc/50/16/94/538501694.db2.gz PCKPEXAAPDMITI-SSDOTTSWSA-N 1 0 209.249 0.853 10 0 BCAERO CN(CC[NH3+])c1nnc(C(F)(F)F)s1 ZINC000168093819 134156189 /nfs/dbraw/zinc/15/61/89/134156189.db2.gz COVIUKOEBMZKOU-UHFFFAOYSA-N 1 0 226.227 0.952 10 0 BCAERO COC(=O)C1(NC(=O)CC(C)C)CC([NH3+])C1 ZINC000675072661 538503229 /nfs/dbraw/zinc/50/32/29/538503229.db2.gz BXCXUHJIKYZJMW-UHFFFAOYSA-N 1 0 228.292 0.182 10 0 BCAERO N[C@]1(c2ncc(Br)cn2)CC[NH2+]C1 ZINC000675072702 538503867 /nfs/dbraw/zinc/50/38/67/538503867.db2.gz CTVVCPPULUWUTQ-MRVPVSSYSA-N 1 0 243.108 0.386 10 0 BCAERO COc1ccc2c(c1)OCC[NH2+][C@H]2CO ZINC000675072958 538504197 /nfs/dbraw/zinc/50/41/97/538504197.db2.gz FFXVOVPSPUUGLN-JTQLQIEISA-N 1 0 209.245 0.711 10 0 BCAERO COc1cc(CC2=C[C@H](O)C[NH2+]C2)sn1 ZINC000675076385 538511546 /nfs/dbraw/zinc/51/15/46/538511546.db2.gz CEFCLNUDEXLDOU-QMMMGPOBSA-N 1 0 226.301 0.585 10 0 BCAERO CN(C)CC(=O)Nc1nc(C[NH3+])cs1 ZINC000675073652 538505683 /nfs/dbraw/zinc/50/56/83/538505683.db2.gz SCBGUSMCKDDQNN-UHFFFAOYSA-N 1 0 214.294 0.102 10 0 BCAERO COc1ncccc1C1=C[C@H](O)C[NH2+]C1 ZINC000675076351 538511575 /nfs/dbraw/zinc/51/15/75/538511575.db2.gz BJSZVPPHGIBLBA-VIFPVBQESA-N 1 0 206.245 0.438 10 0 BCAERO CC(C)(C)OC(=O)N1CC2(C1)OC[C@@H]1C[C@@]12[NH3+] ZINC000675073620 538506034 /nfs/dbraw/zinc/50/60/34/538506034.db2.gz MLJYBZTVUXFASY-QPUJVOFHSA-N 1 0 240.303 0.724 10 0 BCAERO COC(=O)[C@@](O)(C[NH2+]CC(C)C)C(F)(F)F ZINC000675074174 538507081 /nfs/dbraw/zinc/50/70/81/538507081.db2.gz YRXDGEOPVDNAQQ-QMMMGPOBSA-N 1 0 243.225 0.698 10 0 BCAERO NCC(F)(F)C1(O)CC[NH+](C2CC2)CC1 ZINC000675074545 538507412 /nfs/dbraw/zinc/50/74/12/538507412.db2.gz ZGFZCZWSCMHKHS-UHFFFAOYSA-N 1 0 220.263 0.570 10 0 BCAERO COCCNC(=O)NC[C@H]1CC[C@H]([NH3+])C1 ZINC000675075412 538509126 /nfs/dbraw/zinc/50/91/26/538509126.db2.gz NWGWQCBKNLWGIW-IUCAKERBSA-N 1 0 215.297 0.059 10 0 BCAERO COCCNC(=O)NC[C@@H]1CC[C@@H]([NH3+])C1 ZINC000675075413 538509186 /nfs/dbraw/zinc/50/91/86/538509186.db2.gz NWGWQCBKNLWGIW-RKDXNWHRSA-N 1 0 215.297 0.059 10 0 BCAERO COCCNC(=O)NC[C@H]1CC[C@@H]([NH3+])C1 ZINC000675075409 538509191 /nfs/dbraw/zinc/50/91/91/538509191.db2.gz NWGWQCBKNLWGIW-DTWKUNHWSA-N 1 0 215.297 0.059 10 0 BCAERO CCS(=O)(=O)N[C@@H]1C[C@@H]2C[C@@H](C[NH3+])C[C@@H]12 ZINC000675069409 538498667 /nfs/dbraw/zinc/49/86/67/538498667.db2.gz HKKBDMGVICQQKY-UTINFBMNSA-N 1 0 232.349 0.299 10 0 BCAERO Cc1cc(CC2=C[C@@H](N)C[NH2+]C2)n(C)n1 ZINC000675077609 538513424 /nfs/dbraw/zinc/51/34/24/538513424.db2.gz OWAITYYFYKNFQJ-SNVBAGLBSA-N 1 0 206.293 0.128 10 0 BCAERO COc1nscc1C1=C[C@H](O)C[NH2+]C1 ZINC000675077817 538513508 /nfs/dbraw/zinc/51/35/08/538513508.db2.gz RKCITHCKSXRHRS-ZETCQYMHSA-N 1 0 212.274 0.499 10 0 BCAERO CCCn1nccc1C1=C[C@H](O)C[NH2+]C1 ZINC000675077441 538513830 /nfs/dbraw/zinc/51/38/30/538513830.db2.gz MPIVAYTYBWCLCH-JTQLQIEISA-N 1 0 207.277 0.641 10 0 BCAERO CCCn1nncc1C1=C[C@@H]([NH3+])CNC1 ZINC000675077573 538513969 /nfs/dbraw/zinc/51/39/69/538513969.db2.gz GDHNRMDKLQWAQA-SECBINFHSA-N 1 0 207.281 0.002 10 0 BCAERO CC(C)n1nccc1C1=C[C@@H](O)C[NH2+]C1 ZINC000675077453 538514147 /nfs/dbraw/zinc/51/41/47/538514147.db2.gz MSUWFZBRKZLPDH-SNVBAGLBSA-N 1 0 207.277 0.812 10 0 BCAERO O[C@H]1C=C(c2cnc3n2CCC3)C[NH2+]C1 ZINC000675077733 538514342 /nfs/dbraw/zinc/51/43/42/538514342.db2.gz QXIXQXOUIAPMCI-VIFPVBQESA-N 1 0 205.261 0.177 10 0 BCAERO Cc1cc(CC2=C[C@H](N)C[NH2+]C2)nn1C ZINC000675078090 538514708 /nfs/dbraw/zinc/51/47/08/538514708.db2.gz MJTHZXPHMVSXCH-JTQLQIEISA-N 1 0 206.293 0.128 10 0 BCAERO Cc1cnc(CC2=C[C@@H](N)C[NH2+]C2)s1 ZINC000675079493 538518895 /nfs/dbraw/zinc/51/88/95/538518895.db2.gz ZLUBEZXMVQWVDA-SECBINFHSA-N 1 0 209.318 0.851 10 0 BCAERO CC(C)n1nncc1C1=C[C@H](O)C[NH2+]C1 ZINC000675077308 538512400 /nfs/dbraw/zinc/51/24/00/538512400.db2.gz KZRFZECPDNIKIR-VIFPVBQESA-N 1 0 208.265 0.207 10 0 BCAERO Oc1ccc(CC2=C[C@H](O)C[NH2+]C2)cc1 ZINC000675076905 538512715 /nfs/dbraw/zinc/51/27/15/538512715.db2.gz GWFCOPNMCHDNOD-LBPRGKRZSA-N 1 0 205.257 0.825 10 0 BCAERO COc1ccc2[nH]c([C@@H](O)C[NH3+])nc2c1 ZINC000085226931 538538716 /nfs/dbraw/zinc/53/87/16/538538716.db2.gz SLFPPLGVEMMJQC-VIFPVBQESA-N 1 0 207.233 0.564 10 0 BCAERO Cc1ccn([C@@H]2CC[C@@]([NH3+])(C(N)=O)C2)n1 ZINC000086627193 538559023 /nfs/dbraw/zinc/55/90/23/538559023.db2.gz WSLYUEJQAPEBOX-SCZZXKLOSA-N 1 0 208.265 0.099 10 0 BCAERO O=Cc1c(Cl)ncnc1N1CC[NH2+]CC1 ZINC000085502768 538541589 /nfs/dbraw/zinc/54/15/89/538541589.db2.gz WZVGHMDDJUSSTG-UHFFFAOYSA-N 1 0 226.667 0.352 10 0 BCAERO [NH3+]CCC1(O)CCC2(CC1)OCCO2 ZINC000085923492 538548999 /nfs/dbraw/zinc/54/89/99/538548999.db2.gz CIOHPXSDQMOOFW-UHFFFAOYSA-N 1 0 201.266 0.383 10 0 BCAERO CC[N@@H+]1CCO[C@@H](Cn2cc(N)cn2)C1 ZINC000086004894 538549690 /nfs/dbraw/zinc/54/96/90/538549690.db2.gz GWIIYGXMBMZUHD-SNVBAGLBSA-N 1 0 210.281 0.186 10 0 BCAERO CC[N@@H+]1CCO[C@H](Cn2cc(N)cn2)C1 ZINC000086004890 538549859 /nfs/dbraw/zinc/54/98/59/538549859.db2.gz GWIIYGXMBMZUHD-JTQLQIEISA-N 1 0 210.281 0.186 10 0 BCAERO COC(=O)[C@]1([NH3+])CC[C@@H](n2ccnc2)C1 ZINC000086626597 538557181 /nfs/dbraw/zinc/55/71/81/538557181.db2.gz GKMWDRFLLOMHLQ-SCZZXKLOSA-N 1 0 209.249 0.479 10 0 BCAERO Cc1nccn1[C@@H]1CC[C@@]([NH3+])(C(N)=O)C1 ZINC000086626640 538557208 /nfs/dbraw/zinc/55/72/08/538557208.db2.gz XFZMBVXMNHXSET-SCZZXKLOSA-N 1 0 208.265 0.099 10 0 BCAERO COC(=O)[C@@]1([NH3+])CC[C@@H](n2ccnc2)C1 ZINC000086626600 538557280 /nfs/dbraw/zinc/55/72/80/538557280.db2.gz GKMWDRFLLOMHLQ-PSASIEDQSA-N 1 0 209.249 0.479 10 0 BCAERO NC(=O)[C@]1([NH3+])CCC[C@@H](n2ccnc2)C1 ZINC000086604647 538557839 /nfs/dbraw/zinc/55/78/39/538557839.db2.gz HNRLNOIAQQFJAI-SCZZXKLOSA-N 1 0 208.265 0.181 10 0 BCAERO CN1CC[C@]2(C1)[NH2+]CCc1ncn(C)c12 ZINC000084258992 538529438 /nfs/dbraw/zinc/52/94/38/538529438.db2.gz GBNZZVHBULKNEG-LLVKDONJSA-N 1 0 206.293 0.097 10 0 BCAERO CCN(CC(F)F)C(=O)[C@H]1CC[NH2+]C1 ZINC000386168224 356696035 /nfs/dbraw/zinc/69/60/35/356696035.db2.gz CNCZSVJPUYVWEN-ZETCQYMHSA-N 1 0 206.236 0.710 10 0 BCAERO C[C@@H]1C[NH2+]CC[C@@H]1CNS(=O)(=O)C1CC1 ZINC000129831324 538579360 /nfs/dbraw/zinc/57/93/60/538579360.db2.gz WDANXPGDDJZWKN-RKDXNWHRSA-N 1 0 232.349 0.314 10 0 BCAERO CC1(C)CN(C(=O)[C@@H]2CCOC2)CC[C@H]1[NH3+] ZINC000261594311 535343397 /nfs/dbraw/zinc/34/33/97/535343397.db2.gz XLZQHKHZPSYLQB-NXEZZACHSA-N 1 0 226.320 0.609 10 0 BCAERO CC[C@H](C)[N@@H+]1C[C@@H](O)C[C@@H]1C(=O)OC ZINC000226578927 538612515 /nfs/dbraw/zinc/61/25/15/538612515.db2.gz WYHDVBBWABHGCZ-XHNCKOQMSA-N 1 0 201.266 0.393 10 0 BCAERO CN1CCO[C@H](C[N@H+](C)CCCCO)C1 ZINC000384791919 356750991 /nfs/dbraw/zinc/75/09/91/356750991.db2.gz XEJFLGOSAULCLO-LLVKDONJSA-N 1 0 216.325 0.021 10 0 BCAERO CCOC(=O)C[C@H](O)C[N@@H+]1CCC[C@@H](O)[C@@H]1C ZINC000384874446 356789166 /nfs/dbraw/zinc/78/91/66/356789166.db2.gz PJTKHMRHIVCDBR-GARJFASQSA-N 1 0 245.319 0.146 10 0 BCAERO CCS(=O)(=O)NC[C@H]1CC[C@H]([NH3+])C1 ZINC000227627863 538699776 /nfs/dbraw/zinc/69/97/76/538699776.db2.gz QFRUBGBWXHXDIU-YUMQZZPRSA-N 1 0 206.311 0.053 10 0 BCAERO CCCCOC[C@@H](O)C[N@H+](C)[C@@H](C)CO ZINC000193252212 356897281 /nfs/dbraw/zinc/89/72/81/356897281.db2.gz XNHAYDDNQRIBAA-QWRGUYRKSA-N 1 0 219.325 0.477 10 0 BCAERO CCOCCC(=O)N1CC[C@H]2OCC[NH2+][C@H]2C1 ZINC000403978400 356898488 /nfs/dbraw/zinc/89/84/88/356898488.db2.gz FEBWUPIYYKRBLC-WDEREUQCSA-N 1 0 242.319 0.002 10 0 BCAERO C[C@@H](C(=O)c1cccnc1N)C1C[NH2+]C1 ZINC000129847323 356986569 /nfs/dbraw/zinc/98/65/69/356986569.db2.gz BKCMDHLJZVAMPY-SSDOTTSWSA-N 1 0 205.261 0.702 10 0 BCAERO CC[C@@H](C(N)=S)[N@@H+]1CC[C@](C)(O)C1 ZINC000300027291 357172715 /nfs/dbraw/zinc/17/27/15/357172715.db2.gz BMMZIAKBYQKTPC-CBAPKCEASA-N 1 0 202.323 0.508 10 0 BCAERO CC(C)[C@@H](C)C(=O)NC[C@]1(O)CC[NH2+]C1 ZINC000157098923 538808151 /nfs/dbraw/zinc/80/81/51/538808151.db2.gz PLQQLTULWAJCTM-KOLCDFICSA-N 1 0 214.309 0.119 10 0 BCAERO C[C@@]1(O)CC[N@H+](C[C@H]2CCOCO2)C1 ZINC000300011603 357169568 /nfs/dbraw/zinc/16/95/68/357169568.db2.gz SNXJWMLGYFWZFK-NXEZZACHSA-N 1 0 201.266 0.206 10 0 BCAERO CO[C@@H]1CCN(C[C@H]2CSCC[NH2+]2)C1 ZINC000300042535 357176135 /nfs/dbraw/zinc/17/61/35/357176135.db2.gz QEUHDCPBDNPJHC-VHSXEESVSA-N 1 0 216.350 0.412 10 0 BCAERO CC(C)(C)[C@@H](O)C[NH2+]CC1(S(C)(=O)=O)CC1 ZINC000393701795 357293525 /nfs/dbraw/zinc/29/35/25/357293525.db2.gz GYJXNXQKTLTNQU-VIFPVBQESA-N 1 0 249.376 0.560 10 0 BCAERO CC[N@@H+]1CCC[C@@H]1CN(C)CC1(CO)COC1 ZINC000393921729 357306467 /nfs/dbraw/zinc/30/64/67/357306467.db2.gz JWRREYJUJOCTKT-GFCCVEGCSA-N 1 0 242.363 0.411 10 0 BCAERO Cc1nnsc1C[NH2+][C@H]1CCC(=O)N[C@@H]1C ZINC000392881337 357261580 /nfs/dbraw/zinc/26/15/80/357261580.db2.gz VFUHRJJKMCQZES-SVRRBLITSA-N 1 0 240.332 0.603 10 0 BCAERO CC1CC(C(=O)N2CCO[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000582541709 357340257 /nfs/dbraw/zinc/34/02/57/357340257.db2.gz OLMDGBZDQYRKTA-WFBLGPOFSA-N 1 0 224.304 0.232 10 0 BCAERO O=C(NCCN1CC=CCC1)[C@H]1C[C@H](F)C[NH2+]1 ZINC000582605093 357348092 /nfs/dbraw/zinc/34/80/92/357348092.db2.gz YOAXSVUCSGBERV-WDEREUQCSA-N 1 0 241.310 0.065 10 0 BCAERO C[N@@H+]1CC[C@H](C(=O)N2CCC[C@H]2CCCO)C1 ZINC000395297549 357422875 /nfs/dbraw/zinc/42/28/75/357422875.db2.gz INBPFOJSAIIDFS-RYUDHWBXSA-N 1 0 240.347 0.702 10 0 BCAERO CS(=O)(=O)CC[C@@H]1CCC[NH2+]CC1 ZINC000168877557 357516748 /nfs/dbraw/zinc/51/67/48/357516748.db2.gz PGPUVWRKBPBSHH-SECBINFHSA-N 1 0 205.323 0.811 10 0 BCAERO C[C@H]1OCCC[C@H]1C(=O)N(C)CC[NH+](C)C ZINC000188703981 357565047 /nfs/dbraw/zinc/56/50/47/357565047.db2.gz SKMZZBPHVCQBIF-GHMZBOCLSA-N 1 0 228.336 0.822 10 0 BCAERO CC(C)[C@H](CCO)NC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000231081344 357589513 /nfs/dbraw/zinc/58/95/13/357589513.db2.gz YASBIAOSCJGXGE-MXWKQRLJSA-N 1 0 228.336 0.365 10 0 BCAERO CCc1nn(C)cc1NC(=O)[C@H]1CCC[NH2+]C1 ZINC000231084763 357589651 /nfs/dbraw/zinc/58/96/51/357589651.db2.gz YPBRMQHHFPCPNQ-VIFPVBQESA-N 1 0 236.319 0.921 10 0 BCAERO NC(=O)c1cc(O[C@H]2CCC[NH2+]C2)ccn1 ZINC000051872529 181291952 /nfs/dbraw/zinc/29/19/52/181291952.db2.gz GXKPFFYHCIVFLM-VIFPVBQESA-N 1 0 221.260 0.311 10 0 BCAERO CCSCC[N@@H+]1CCCNC(=O)[C@H]1C ZINC000189097484 357604272 /nfs/dbraw/zinc/60/42/72/357604272.db2.gz LAGWEEWOGXUSEK-SECBINFHSA-N 1 0 216.350 0.950 10 0 BCAERO CC(C)(C)NC(=O)N[C@H]1CC[NH2+]C[C@@H]1F ZINC000685946742 538885675 /nfs/dbraw/zinc/88/56/75/538885675.db2.gz VMJBFVLJKUMGOG-YUMQZZPRSA-N 1 0 217.288 0.784 10 0 BCAERO CN(C)[S@](C)(=O)=NCC1CC[NH2+]CC1 ZINC000685945778 538886968 /nfs/dbraw/zinc/88/69/68/538886968.db2.gz YXQQYZIKJCFEHN-CQSZACIVSA-N 1 0 219.354 0.560 10 0 BCAERO CC(C)(C)NC(=O)N1CC[C@@H]([NH3+])[C@H](F)C1 ZINC000685945805 538886978 /nfs/dbraw/zinc/88/69/78/538886978.db2.gz BFNHSBQSVZEEGF-HTQZYQBOSA-N 1 0 217.288 0.866 10 0 BCAERO Cn1cnc([C@@H]2C[NH2+]C[C@H]2C(=O)NC2CC2)c1 ZINC000685945637 538887284 /nfs/dbraw/zinc/88/72/84/538887284.db2.gz YIDNSAJXAMMEEO-NXEZZACHSA-N 1 0 234.303 0.002 10 0 BCAERO COCC(=O)N1CCC2(CCC[C@@H]2[NH3+])CC1 ZINC000685946041 538887568 /nfs/dbraw/zinc/88/75/68/538887568.db2.gz CCTYHAOAXIUPDK-JTQLQIEISA-N 1 0 226.320 0.753 10 0 BCAERO CC(C)S(=O)(=O)NC[C@]12CC[C@H]1CC[NH2+]2 ZINC000685945983 538887687 /nfs/dbraw/zinc/88/76/87/538887687.db2.gz AUBZXXLPYBAISC-VHSXEESVSA-N 1 0 232.349 0.456 10 0 BCAERO CCCCS(=O)(=O)N[C@H]1CC[NH2+]C[C@H]1F ZINC000685946374 538887922 /nfs/dbraw/zinc/88/79/22/538887922.db2.gz RMTTVDOJSMDUQM-BDAKNGLRSA-N 1 0 238.328 0.406 10 0 BCAERO CC[C@]1(NS(=O)(=O)C2CC2)CCC[NH2+]C1 ZINC000685947120 538888999 /nfs/dbraw/zinc/88/89/99/538888999.db2.gz JCQUYHLKCIAAKF-JTQLQIEISA-N 1 0 232.349 0.600 10 0 BCAERO CC(C)(C)OC(=O)N1CCC(=O)[C@@H]2C[NH2+]C[C@@H]21 ZINC000685947420 538889254 /nfs/dbraw/zinc/88/92/54/538889254.db2.gz KHDBDPWSABLFMH-BDAKNGLRSA-N 1 0 240.303 0.784 10 0 BCAERO Cc1c(C[NH2+]CCO)ccc2c1OCCO2 ZINC000685947793 538889797 /nfs/dbraw/zinc/88/97/97/538889797.db2.gz QWLTUUTXCPWTAD-UHFFFAOYSA-N 1 0 223.272 0.848 10 0 BCAERO COCc1ccc([C@H](C[NH3+])CC(N)=O)cc1 ZINC000685948271 538890462 /nfs/dbraw/zinc/89/04/62/538890462.db2.gz FMMIRSSIKIBJJA-NSHDSACASA-N 1 0 222.288 0.751 10 0 BCAERO CCNC(=O)c1cn[nH]c1[C@@H]1CCCC[NH2+]1 ZINC000685948355 538890519 /nfs/dbraw/zinc/89/05/19/538890519.db2.gz JRMURNBPLIIBLO-VIFPVBQESA-N 1 0 222.292 0.974 10 0 BCAERO CCNC(=O)c1cn[nH]c1[C@H]1CCCC[NH2+]1 ZINC000685948354 538890607 /nfs/dbraw/zinc/89/06/07/538890607.db2.gz JRMURNBPLIIBLO-SECBINFHSA-N 1 0 222.292 0.974 10 0 BCAERO COCCC[NH2+]Cc1cn(C)nc1OC ZINC000685948250 538890654 /nfs/dbraw/zinc/89/06/54/538890654.db2.gz DFJLPVCNBBULEX-UHFFFAOYSA-N 1 0 213.281 0.555 10 0 BCAERO OCCN1CC[NH+]([C@@H]2CC[C@H]3CC[C@H]32)CC1 ZINC000685948569 538890975 /nfs/dbraw/zinc/89/09/75/538890975.db2.gz QKHBKUOWEQONDO-JHJVBQTASA-N 1 0 224.348 0.785 10 0 BCAERO OCCN1CC[NH+]([C@@H]2CC[C@H]3CC[C@@H]32)CC1 ZINC000685948568 538891010 /nfs/dbraw/zinc/89/10/10/538891010.db2.gz QKHBKUOWEQONDO-FRRDWIJNSA-N 1 0 224.348 0.785 10 0 BCAERO O=C(CC1CC1)N1CC2(C[NH2+]C2)C(F)(F)C1 ZINC000685948515 538891262 /nfs/dbraw/zinc/89/12/62/538891262.db2.gz ANKKVXFEUANQGB-UHFFFAOYSA-N 1 0 230.258 0.854 10 0 BCAERO CCNC(=O)c1ccc2c(c1)C[C@H]([NH3+])C2 ZINC000685948720 538891729 /nfs/dbraw/zinc/89/17/29/538891729.db2.gz DTGDNEHJWGDCCO-LLVKDONJSA-N 1 0 204.273 0.862 10 0 BCAERO CCc1nnc2n1C[C@H](C[NH2+]C(C)C)NC2 ZINC000685948716 538891974 /nfs/dbraw/zinc/89/19/74/538891974.db2.gz ATLGHOXWPPMEFW-VIFPVBQESA-N 1 0 223.324 0.310 10 0 BCAERO O=C1C[C@@]2(CCC[NH2+]C2)n2ccnc2N1 ZINC000685949106 538891993 /nfs/dbraw/zinc/89/19/93/538891993.db2.gz IEQWXCPGVWIBIJ-SNVBAGLBSA-N 1 0 206.249 0.304 10 0 BCAERO C1CCC2(C1)OCC[C@H]2N1CC[NH2+]CC1 ZINC000685949350 538892494 /nfs/dbraw/zinc/89/24/94/538892494.db2.gz QKHXVIPTIVGXDI-LLVKDONJSA-N 1 0 210.321 0.993 10 0 BCAERO CC(C)S(=O)(=O)N[C@@]12CC[NH2+][C@@H]1CCCC2 ZINC000685949211 538892560 /nfs/dbraw/zinc/89/25/60/538892560.db2.gz MDVZUUXGRYOFLO-MNOVXSKESA-N 1 0 246.376 0.989 10 0 BCAERO O=S(=O)(N[C@@]12CC[NH2+][C@H]1CCCC2)C1CC1 ZINC000685949525 538892567 /nfs/dbraw/zinc/89/25/67/538892567.db2.gz STYRRBNDBSBJOT-QWRGUYRKSA-N 1 0 244.360 0.743 10 0 BCAERO CC[NH2+]C[C@@H]1Cn2c(nnc2C(C)C)CN1 ZINC000685949925 538892906 /nfs/dbraw/zinc/89/29/06/538892906.db2.gz WULGFBMRNGLLRF-SECBINFHSA-N 1 0 223.324 0.483 10 0 BCAERO O=C(C1CC1)N1CC2(C1)C[NH2+]CC2(F)F ZINC000685949878 538892969 /nfs/dbraw/zinc/89/29/69/538892969.db2.gz ZTCSBRKFXHXZAR-UHFFFAOYSA-N 1 0 216.231 0.464 10 0 BCAERO CC[NH2+]C[C@H]1Cn2c(nnc2C(C)C)CN1 ZINC000685949927 538893052 /nfs/dbraw/zinc/89/30/52/538893052.db2.gz WULGFBMRNGLLRF-VIFPVBQESA-N 1 0 223.324 0.483 10 0 BCAERO CCCC(=O)N1CC2(C[NH2+]C2)C(F)(F)C1 ZINC000685949605 538893115 /nfs/dbraw/zinc/89/31/15/538893115.db2.gz UWOGMGPZMNQTNZ-UHFFFAOYSA-N 1 0 218.247 0.854 10 0 BCAERO CC(C)[C@@H](C)NC(=O)N1CC[C@](O)(C[NH3+])C1 ZINC000685950427 538894117 /nfs/dbraw/zinc/89/41/17/538894117.db2.gz POKFAHDKKUFLMQ-KOLCDFICSA-N 1 0 229.324 0.136 10 0 BCAERO C[C@@H]1C[NH2+]C[C@@H](C)C1[N@@H+]1CCC[C@@H]1C(=O)[O-] ZINC000685951160 538894365 /nfs/dbraw/zinc/89/43/65/538894365.db2.gz OETRIEWELGBHMW-OPRDCNLKSA-N 1 0 226.320 0.779 10 0 BCAERO Cn1cncc1-c1cnnn1[C@H]1CC[NH2+]C1 ZINC000685951555 538895350 /nfs/dbraw/zinc/89/53/50/538895350.db2.gz BDOXFDOPDVXHLU-QMMMGPOBSA-N 1 0 218.264 0.213 10 0 BCAERO NC(=O)c1cc(OC[C@H]2CC[NH2+]C2)ccn1 ZINC000051889107 181292387 /nfs/dbraw/zinc/29/23/87/181292387.db2.gz XZYGERLPTZWSLR-QMMMGPOBSA-N 1 0 221.260 0.169 10 0 BCAERO CCc1nn(C)cc1C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000234160286 357775742 /nfs/dbraw/zinc/77/57/42/357775742.db2.gz MOUBWFRJHBQLED-PSASIEDQSA-N 1 0 236.319 0.402 10 0 BCAERO CC[NH+](CC)CCCN1CCCNC(=O)[C@H]1C ZINC000191895853 357803477 /nfs/dbraw/zinc/80/34/77/357803477.db2.gz FNPYFMFWIAELQN-GFCCVEGCSA-N 1 0 241.379 0.929 10 0 BCAERO C[C@@H]1CN(C(=O)[C@@H]2CC[C@H]([NH3+])C2)[C@H](C)CO1 ZINC000085010401 134221101 /nfs/dbraw/zinc/22/11/01/134221101.db2.gz OPBMUONPHRZCBG-DBIOUOCHSA-N 1 0 226.320 0.750 10 0 BCAERO C[C@H](C[NH2+][C@@H]1CCOC[C@H]1C)N1CCOCC1 ZINC000192461947 357835496 /nfs/dbraw/zinc/83/54/96/357835496.db2.gz XNJOKVOPEPTBOD-JHJVBQTASA-N 1 0 242.363 0.722 10 0 BCAERO C[C@@H]1CN(C(=O)CCn2ccnc2)C[C@@H]1[NH3+] ZINC000235328127 357866403 /nfs/dbraw/zinc/86/64/03/357866403.db2.gz VZUUIDZGCKWCSA-ZJUUUORDSA-N 1 0 222.292 0.079 10 0 BCAERO Cc1cccc(C(=O)N2C[C@@H](C)[C@@H]([NH3+])C2)n1 ZINC000235364721 357868489 /nfs/dbraw/zinc/86/84/89/357868489.db2.gz HPZXPPVGRMMGST-SCZZXKLOSA-N 1 0 219.288 0.809 10 0 BCAERO C(C1CCC1)[N@@H+]1CC[C@H]2OCCN[C@H]2C1 ZINC000404073874 357868841 /nfs/dbraw/zinc/86/88/41/357868841.db2.gz MUJMWJBJSSTIQS-NWDGAFQWSA-N 1 0 210.321 0.849 10 0 BCAERO C(C1CCC1)[N@@H+]1CC[C@H]2OCCN[C@@H]2C1 ZINC000404073876 357869364 /nfs/dbraw/zinc/86/93/64/357869364.db2.gz MUJMWJBJSSTIQS-VXGBXAGGSA-N 1 0 210.321 0.849 10 0 BCAERO C[C@H](O)CCNC(=O)[C@H]1[NH2+]CCCC1(C)C ZINC000235537532 357878124 /nfs/dbraw/zinc/87/81/24/357878124.db2.gz UOCCKJTWIFWURU-VHSXEESVSA-N 1 0 228.336 0.652 10 0 BCAERO CC[C@H](O)CCCNC(=O)[C@@]1(C)CCC[NH2+]1 ZINC000398512862 357886056 /nfs/dbraw/zinc/88/60/56/357886056.db2.gz NMWWAFPGGOOALS-CMPLNLGQSA-N 1 0 228.336 0.796 10 0 BCAERO C[C@H](O)C[N@@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000192990934 357863544 /nfs/dbraw/zinc/86/35/44/357863544.db2.gz QZMBXTTWGFXURD-JQWIXIFHSA-N 1 0 222.288 0.916 10 0 BCAERO C[C@H]1CN(C(=O)Cc2ccccc2O)C[C@@H]1[NH3+] ZINC000235626952 357925729 /nfs/dbraw/zinc/92/57/29/357925729.db2.gz YLZZCBSGYUXKIJ-ONGXEEELSA-N 1 0 234.299 0.740 10 0 BCAERO Cc1cncc(C(=O)N2C[C@H]([NH3+])[C@@H](C)C2)c1 ZINC000235678333 357928227 /nfs/dbraw/zinc/92/82/27/357928227.db2.gz IAIIDUGPXVLQSW-ONGXEEELSA-N 1 0 219.288 0.809 10 0 BCAERO Cc1cncc(C(=O)N2C[C@H](C)[C@H]([NH3+])C2)c1 ZINC000235678372 357928453 /nfs/dbraw/zinc/92/84/53/357928453.db2.gz IAIIDUGPXVLQSW-GXSJLCMTSA-N 1 0 219.288 0.809 10 0 BCAERO C[C@@H]1C[C@H](O)CC[N@@H+]1C[C@@H]1CCCN1C ZINC000639938891 357945957 /nfs/dbraw/zinc/94/59/57/357945957.db2.gz PHZZCSKZEBUUQE-GRYCIOLGSA-N 1 0 212.337 0.926 10 0 BCAERO C[C@@H]1C[C@H](O)CC[N@@H+]1CCCN1CCOCC1 ZINC000639939697 357948436 /nfs/dbraw/zinc/94/84/36/357948436.db2.gz JGQYPZSQSNHLQO-CHWSQXEVSA-N 1 0 242.363 0.554 10 0 BCAERO CCn1c(C)nnc1CN1CC[C@@H](O)C[C@H]1C ZINC000639940159 357950457 /nfs/dbraw/zinc/95/04/57/357950457.db2.gz RHJOLRNNZWAOGK-MWLCHTKSSA-N 1 0 238.335 0.952 10 0 BCAERO CC[C@H](O)CCNC(=O)C[C@H]1CCC[NH2+]C1 ZINC000218834744 357967599 /nfs/dbraw/zinc/96/75/99/357967599.db2.gz NTGFIPIVUPJGSH-MNOVXSKESA-N 1 0 228.336 0.653 10 0 BCAERO COC[C@](C)(CO)[NH2+]C[C@H]1CCC[C@H](O)C1 ZINC000639957342 357980683 /nfs/dbraw/zinc/98/06/83/357980683.db2.gz MCHBGISVTJXBBL-SRVKXCTJSA-N 1 0 231.336 0.525 10 0 BCAERO CCN(C)C(=O)CNC(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000219880491 358014957 /nfs/dbraw/zinc/01/49/57/358014957.db2.gz IVLQZINQPUEJPY-VHSXEESVSA-N 1 0 241.335 0.098 10 0 BCAERO CC[C@@]1(O)CCC[N@H+](CC(C)(C)O)C1 ZINC000640034153 358126805 /nfs/dbraw/zinc/12/68/05/358126805.db2.gz YTSXZXUQSDNXMC-LLVKDONJSA-N 1 0 201.310 0.994 10 0 BCAERO CC(C)(O)C[N@@H+]1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000640042390 358139659 /nfs/dbraw/zinc/13/96/59/358139659.db2.gz PCPZAEBSVJQNAL-JGVFFNPUSA-N 1 0 241.253 0.860 10 0 BCAERO CCOCC[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000171635360 134257511 /nfs/dbraw/zinc/25/75/11/134257511.db2.gz YMIXDSVCTMSMNG-NSHDSACASA-N 1 0 224.308 0.952 10 0 BCAERO COC[C@@H]1C[NH2+]C[C@@H](COc2ccccc2)N1 ZINC000038387047 358150349 /nfs/dbraw/zinc/15/03/49/358150349.db2.gz KSGMRFACZMEHTJ-RYUDHWBXSA-N 1 0 236.315 0.642 10 0 BCAERO [NH3+]C1(CC(=O)NC[C@@H]2CCCC[C@@H]2O)CCC1 ZINC000094295597 487527690 /nfs/dbraw/zinc/52/76/90/487527690.db2.gz RLHQZVIOIOVYSF-QWRGUYRKSA-N 1 0 240.347 0.925 10 0 BCAERO COCOC[C@@H]1CC[C@@H](COCOC)[NH2+]1 ZINC000039437205 358226687 /nfs/dbraw/zinc/22/66/87/358226687.db2.gz AZSOHULVQDDQGO-UWVGGRQHSA-N 1 0 219.281 0.348 10 0 BCAERO CO[C@H](C)CNC(=O)C[C@H]1CCC[NH2+]C1 ZINC000223759284 358230659 /nfs/dbraw/zinc/23/06/59/358230659.db2.gz IFALNTDQTPJBSZ-NXEZZACHSA-N 1 0 214.309 0.527 10 0 BCAERO CCN(CC(C)C)C(=O)[C@H]1C[C@@H](OC)C[NH2+]1 ZINC000041043335 358241443 /nfs/dbraw/zinc/24/14/43/358241443.db2.gz NGGMVXDCNWISRV-GHMZBOCLSA-N 1 0 228.336 0.868 10 0 BCAERO CCCCNC(=O)[C@H]1C[C@@H](OC)C[NH2+]1 ZINC000040630072 358244350 /nfs/dbraw/zinc/24/43/50/358244350.db2.gz GEHHZTTZXMPPRG-RKDXNWHRSA-N 1 0 200.282 0.280 10 0 BCAERO CO[C@@H]1CCN(c2cnn3c2C[NH2+]CC3)C1 ZINC000584648110 358302880 /nfs/dbraw/zinc/30/28/80/358302880.db2.gz ASNODJJPDREDGQ-SECBINFHSA-N 1 0 222.292 0.211 10 0 BCAERO CN(C(=O)Cc1ccccc1F)C1C[NH2+]C1 ZINC000085257553 134270496 /nfs/dbraw/zinc/27/04/96/134270496.db2.gz LVGROEYMUVQRLL-UHFFFAOYSA-N 1 0 222.263 0.798 10 0 BCAERO CC[C@@H](C(=O)NC[C@@H](C)[NH2+]C)N1CCCC1=O ZINC000261849208 535418473 /nfs/dbraw/zinc/41/84/73/535418473.db2.gz XDJAOSDACPFEFG-ZJUUUORDSA-N 1 0 241.335 0.112 10 0 BCAERO CON(C)C(=O)[C@@H](C)[NH+]1CCCCC1 ZINC000584647289 358332270 /nfs/dbraw/zinc/33/22/70/358332270.db2.gz AZBJLSJQVURAQJ-SECBINFHSA-N 1 0 200.282 0.881 10 0 BCAERO C[C@H](CN1CCOCC1)[NH2+][C@@H]1CCCC[C@H]1O ZINC000226227853 358335507 /nfs/dbraw/zinc/33/55/07/358335507.db2.gz NDDAMVOXJFSUSM-JHJVBQTASA-N 1 0 242.363 0.600 10 0 BCAERO C[C@H](C[S@](C)=O)[NH2+][C@@H]1CCCC[C@H]1O ZINC000226237641 358336334 /nfs/dbraw/zinc/33/63/34/358336334.db2.gz LEINKAMVDGVCSK-ZSJJWGNYSA-N 1 0 219.350 0.647 10 0 BCAERO [NH3+][C@@H]1CC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2O)C1 ZINC000227327439 358354314 /nfs/dbraw/zinc/35/43/14/358354314.db2.gz SPPIMLKNKHGWLF-GWOFURMSSA-N 1 0 226.320 0.534 10 0 BCAERO C[C@@H]1CN(C(=O)[C@@]2(C)CCC[NH2+]2)[C@H](C)CO1 ZINC000227078651 358347984 /nfs/dbraw/zinc/34/79/84/358347984.db2.gz SRBVPIJJHQIGEA-CKYFFXLPSA-N 1 0 226.320 0.764 10 0 BCAERO NC(=O)c1ccc(COC[C@H]2CC[NH2+]C2)cc1 ZINC000051888367 181296736 /nfs/dbraw/zinc/29/67/36/181296736.db2.gz OHEDZVNMVHYTLB-NSHDSACASA-N 1 0 234.299 0.912 10 0 BCAERO CC[C@@H]1C[C@@]1([NH3+])[C@H]1CCS(=O)(=O)C1 ZINC000252686189 366429879 /nfs/dbraw/zinc/42/98/79/366429879.db2.gz JGNPYCWDXKXCSE-VGMNWLOBSA-N 1 0 203.307 0.549 10 0 BCAERO Cc1cc(N[C@@H](C)C[C@@H](C)[NH3+])n2ncnc2n1 ZINC000228270334 358372040 /nfs/dbraw/zinc/37/20/40/358372040.db2.gz GYBCCGOLNCXBPM-SFYZADRCSA-N 1 0 234.307 0.970 10 0 BCAERO Cc1cc(N[C@H](C)C[C@H](C)[NH3+])n2ncnc2n1 ZINC000228270751 358372211 /nfs/dbraw/zinc/37/22/11/358372211.db2.gz GYBCCGOLNCXBPM-JGVFFNPUSA-N 1 0 234.307 0.970 10 0 BCAERO Cc1nnc2c(N[C@H](C)C[C@@H](C)[NH3+])nccn12 ZINC000228268036 358372334 /nfs/dbraw/zinc/37/23/34/358372334.db2.gz CZIRHAZTYMNUII-HTQZYQBOSA-N 1 0 234.307 0.970 10 0 BCAERO Cc1nnc2c(N[C@H](C)C[C@H](C)[NH3+])nccn12 ZINC000228268052 358372338 /nfs/dbraw/zinc/37/23/38/358372338.db2.gz CZIRHAZTYMNUII-JGVFFNPUSA-N 1 0 234.307 0.970 10 0 BCAERO C[C@@H](O)C1CCN(C(=O)[C@@]2(C)CCC[NH2+]2)CC1 ZINC000227425926 358356522 /nfs/dbraw/zinc/35/65/22/358356522.db2.gz GHHIXGHSRPMCEB-ZWNOBZJWSA-N 1 0 240.347 0.748 10 0 BCAERO CCCCOC[C@@H](O)C[NH2+]C1CCN(C)CC1 ZINC000227888693 358365252 /nfs/dbraw/zinc/36/52/52/358365252.db2.gz FWSNHLXEDDFSTE-ZDUSSCGKSA-N 1 0 244.379 0.848 10 0 BCAERO CCCCOC[C@H](O)C[NH2+]C[C@H](O)C(C)C ZINC000227896881 358365979 /nfs/dbraw/zinc/36/59/79/358365979.db2.gz NELOMDRPHXCCAW-NEPJUHHUSA-N 1 0 233.352 0.771 10 0 BCAERO C[NH2+][C@H](C)C(=O)NCC(F)(F)C(F)F ZINC000230695985 358409966 /nfs/dbraw/zinc/40/99/66/358409966.db2.gz NTKFHPVIDIBNEK-SCSAIBSYSA-N 1 0 216.178 0.611 10 0 BCAERO C[C@@H]1CSC[C@@H]1[NH2+][C@@H]1CCC(=O)N[C@H]1C ZINC000392931288 259479977 /nfs/dbraw/zinc/47/99/77/259479977.db2.gz KKQYEIBFDCOFBC-RGOKHQFPSA-N 1 0 228.361 0.995 10 0 BCAERO CCC[C@H]([NH3+])C(=O)NCc1cc(C)on1 ZINC000044727165 358393213 /nfs/dbraw/zinc/39/32/13/358393213.db2.gz WZQVYVIGVKCVEQ-VIFPVBQESA-N 1 0 211.265 0.727 10 0 BCAERO C[C@H](NC(=O)C[C@H]1CCC[NH2+]C1)c1nc[nH]n1 ZINC000230428689 358400230 /nfs/dbraw/zinc/40/02/30/358400230.db2.gz OCZRUEXWOSBBED-DTWKUNHWSA-N 1 0 237.307 0.372 10 0 BCAERO CCO[C@@H]1C[C@@H]1C(=O)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261969467 535426729 /nfs/dbraw/zinc/42/67/29/535426729.db2.gz LKSIZEBSQOMCNE-AXFHLTTASA-N 1 0 240.347 0.997 10 0 BCAERO CC(C)[C@@H](CCO)NC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000231080798 358414199 /nfs/dbraw/zinc/41/41/99/358414199.db2.gz TTWGGJJABUYCBB-NWDGAFQWSA-N 1 0 242.363 0.899 10 0 BCAERO CCc1cnc(CNC(=O)[C@@H]2CC[C@H]([NH3+])C2)o1 ZINC000231646290 358417589 /nfs/dbraw/zinc/41/75/89/358417589.db2.gz JPDOEOLNXOYVLR-BDAKNGLRSA-N 1 0 237.303 0.981 10 0 BCAERO CCc1cnc(CNC(=O)[C@H]2CC[C@@H]([NH3+])C2)o1 ZINC000231646287 358418076 /nfs/dbraw/zinc/41/80/76/358418076.db2.gz JPDOEOLNXOYVLR-DTWKUNHWSA-N 1 0 237.303 0.981 10 0 BCAERO C[C@@H]1CCCN(S(=O)(=O)C2CC2)[C@H]1[NH3+] ZINC000300228868 358570233 /nfs/dbraw/zinc/57/02/33/358570233.db2.gz TUFRNTXVMHTQFW-VXNVDRBHSA-N 1 0 218.322 0.495 10 0 BCAERO C[C@H]1CCCN(S(=O)(=O)C2CC2)[C@H]1[NH3+] ZINC000300228867 358570585 /nfs/dbraw/zinc/57/05/85/358570585.db2.gz TUFRNTXVMHTQFW-IONNQARKSA-N 1 0 218.322 0.495 10 0 BCAERO COCCNC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000130797896 358644312 /nfs/dbraw/zinc/64/43/12/358644312.db2.gz YKOJFZCYGVZLKL-MNOVXSKESA-N 1 0 243.351 0.661 10 0 BCAERO NC(=O)c1cccc(C[NH2+][C@H]2CCCNC2=O)c1 ZINC000050396349 358726633 /nfs/dbraw/zinc/72/66/33/358726633.db2.gz KAPGFHPVAAQJGL-NSHDSACASA-N 1 0 247.298 0.154 10 0 BCAERO COC[C@@H](C)[NH2+]CCn1ccccc1=O ZINC000053500447 358742056 /nfs/dbraw/zinc/74/20/56/358742056.db2.gz CPFRDKPDEQQNQY-SNVBAGLBSA-N 1 0 210.277 0.473 10 0 BCAERO CCN(C)C(=O)C[N@@H+]1CCC[C@@H]1CCCO ZINC000052762445 358792433 /nfs/dbraw/zinc/79/24/33/358792433.db2.gz LOSCIGFOKXQSDP-LLVKDONJSA-N 1 0 228.336 0.702 10 0 BCAERO CNC(=O)[C@@H]1CCC[N@@H+]1C[C@@H](C)C(=O)OC ZINC000220042635 134298342 /nfs/dbraw/zinc/29/83/42/134298342.db2.gz TYYDMXITELKHQJ-BDAKNGLRSA-N 1 0 228.292 0.006 10 0 BCAERO C[C@H]([NH3+])[C@H](C)[S@](=O)[C@H]1CCO[C@H]1C ZINC000300334997 358962454 /nfs/dbraw/zinc/96/24/54/358962454.db2.gz BJCRBLMCBLNWMZ-ONXMKFCISA-N 1 0 205.323 0.648 10 0 BCAERO C[C@H]([NH3+])[C@H](C)[S@](=O)[C@@H]1CCO[C@@H]1C ZINC000300334998 358962522 /nfs/dbraw/zinc/96/25/22/358962522.db2.gz BJCRBLMCBLNWMZ-OPTVKEIHSA-N 1 0 205.323 0.648 10 0 BCAERO C[N@@H+]1CC[C@H](n2c(=O)cc(Cl)[nH]c2=O)C1 ZINC000160842531 358963162 /nfs/dbraw/zinc/96/31/62/358963162.db2.gz MGTYALMJFWYLLY-LURJTMIESA-N 1 0 229.667 0.067 10 0 BCAERO CC[C@H](O)C[N@@H+]1CCCN(C)C[C@H]1C ZINC000300354404 358971874 /nfs/dbraw/zinc/97/18/74/358971874.db2.gz GNLKPFVPNPXHFY-MNOVXSKESA-N 1 0 200.326 0.783 10 0 BCAERO C[C@@H](C(N)=S)[N@@H+]1CCN(C)C[C@H]1C ZINC000300355298 358972070 /nfs/dbraw/zinc/97/20/70/358972070.db2.gz HJTXLCKUAZRQLT-SFYZADRCSA-N 1 0 201.339 0.297 10 0 BCAERO [NH3+]C[C@@]1(c2ncc(Cl)cn2)CCOC1 ZINC000306158852 358952309 /nfs/dbraw/zinc/95/23/09/358952309.db2.gz DOOLHQHSKWBNGE-VIFPVBQESA-N 1 0 213.668 0.747 10 0 BCAERO C[C@@H]1CC[NH2+][C@H]1C(=O)N[C@H]1CCSC1 ZINC000299965055 358957919 /nfs/dbraw/zinc/95/79/19/358957919.db2.gz AEWWOZIJNISIIY-HRDYMLBCSA-N 1 0 214.334 0.606 10 0 BCAERO C[C@@H]1CC[NH2+][C@@H]1C(=O)N[C@H]1CCSC1 ZINC000299965056 358958122 /nfs/dbraw/zinc/95/81/22/358958122.db2.gz AEWWOZIJNISIIY-VGMNWLOBSA-N 1 0 214.334 0.606 10 0 BCAERO COC(=O)[C@@H](C)[N@@H+]1CC[C@H](O)C1(C)C ZINC000306199957 359027242 /nfs/dbraw/zinc/02/72/42/359027242.db2.gz SHJQFEMXNUIGEP-SFYZADRCSA-N 1 0 201.266 0.393 10 0 BCAERO CC(C)[C@H]([NH3+])CNc1ncnc2nc[nH]c21 ZINC000070010543 359038132 /nfs/dbraw/zinc/03/81/32/359038132.db2.gz YSIDPJSKNPPFAV-SSDOTTSWSA-N 1 0 220.280 0.748 10 0 BCAERO C[C@H]1C[C@H]1[C@@H]1C[S@@](=O)C[C@H](C)C[NH2+]1 ZINC000306172046 358981221 /nfs/dbraw/zinc/98/12/21/358981221.db2.gz IHHKTGDAVLSIQR-DUYQIWHPSA-N 1 0 201.335 0.999 10 0 BCAERO CCS(=O)(=O)C[C@H](C)[NH2+][C@H]1CCC[C@@H](O)C1 ZINC000223742840 491138928 /nfs/dbraw/zinc/13/89/28/491138928.db2.gz FEKYRPDSFXKBMZ-GARJFASQSA-N 1 0 249.376 0.703 10 0 BCAERO O=C1OCC[C@@H]1CCN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000246978906 359179981 /nfs/dbraw/zinc/17/99/81/359179981.db2.gz PPKQFYRYZXYXDQ-NWDGAFQWSA-N 1 0 238.331 0.720 10 0 BCAERO CO[C@H](C)C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000247020803 359185530 /nfs/dbraw/zinc/18/55/30/359185530.db2.gz HKSBESNXUWRJEN-GMTAPVOTSA-N 1 0 228.336 0.866 10 0 BCAERO CC[C@H](C(=O)OC)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000247123660 359195005 /nfs/dbraw/zinc/19/50/05/359195005.db2.gz JWCPYSNSTVDZMI-WDEREUQCSA-N 1 0 226.320 0.718 10 0 BCAERO c1cc(CN2CC[C@@H]3OCC[NH2+][C@H]3C2)ccn1 ZINC000404193175 359170337 /nfs/dbraw/zinc/17/03/37/359170337.db2.gz LYPAXOUGSCJIOV-STQMWFEESA-N 1 0 233.315 0.644 10 0 BCAERO Cn1cc([C@H]2CC[N@@H+]([C@H]3CCN(C)C3=O)C2)cn1 ZINC000246886678 359173570 /nfs/dbraw/zinc/17/35/70/359173570.db2.gz GJVCEVFRNBNQFN-JQWIXIFHSA-N 1 0 248.330 0.440 10 0 BCAERO CC[C@H](O)C[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000247881786 359247166 /nfs/dbraw/zinc/24/71/66/359247166.db2.gz ZLWMJIPEIPDQJZ-NEPJUHHUSA-N 1 0 238.335 0.761 10 0 BCAERO C[C@@H]1C[N@H+](CCCF)C[C@H]1N1CCOCC1 ZINC000248142562 359256144 /nfs/dbraw/zinc/25/61/44/359256144.db2.gz PVHXROWIVMTXCY-VXGBXAGGSA-N 1 0 230.327 0.999 10 0 BCAERO CCCN(C)S(=O)(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000247173903 359199181 /nfs/dbraw/zinc/19/91/81/359199181.db2.gz UTDKLJPXGDGIHJ-SNVBAGLBSA-N 1 0 249.380 0.209 10 0 BCAERO CC[C@H](C(=O)OC)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000247230236 359203079 /nfs/dbraw/zinc/20/30/79/359203079.db2.gz RHTSHUGEYNBQGD-WDEREUQCSA-N 1 0 244.335 0.200 10 0 BCAERO CC(C)NC(=O)CN1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000247317673 359211751 /nfs/dbraw/zinc/21/17/51/359211751.db2.gz OKPDHPCXQOUCPG-NEPJUHHUSA-N 1 0 239.363 0.680 10 0 BCAERO CN(C)C(=O)CN1CC[N@@H+]2CCCC[C@H]2C1 ZINC000248327286 359262721 /nfs/dbraw/zinc/26/27/21/359262721.db2.gz CITFBUCBTZNFBP-NSHDSACASA-N 1 0 225.336 0.245 10 0 BCAERO O[C@@]1(Cc2csnn2)CCC[NH2+]CC1 ZINC000306241884 359417669 /nfs/dbraw/zinc/41/76/69/359417669.db2.gz SKFBAZMNNLFOCM-VIFPVBQESA-N 1 0 213.306 0.585 10 0 BCAERO [NH3+][C@@H]1CCOC[C@H]1N1CCC(F)(F)C1 ZINC000306248490 359443563 /nfs/dbraw/zinc/44/35/63/359443563.db2.gz UVHZDBOUXVLAQO-HTQZYQBOSA-N 1 0 206.236 0.444 10 0 BCAERO C[C@@H]1OCC[C@@H]1[NH2+]CC1(C)OCCO1 ZINC000306248889 359445587 /nfs/dbraw/zinc/44/55/87/359445587.db2.gz QTMIADKUWOUFFJ-IUCAKERBSA-N 1 0 201.266 0.516 10 0 BCAERO CC(C)[NH2+][C@@]1(C(N)=O)CSC[C@H]1C ZINC000306259473 359472539 /nfs/dbraw/zinc/47/25/39/359472539.db2.gz TUYSNBYSSOPWRR-APPZFPTMSA-N 1 0 202.323 0.591 10 0 BCAERO Cc1ncc([C@H]2OC[C@@H](C[NH3+])O2)s1 ZINC000306258646 359474851 /nfs/dbraw/zinc/47/48/51/359474851.db2.gz SGLHPONLOUZARI-SVRRBLITSA-N 1 0 200.263 0.824 10 0 BCAERO CN1C[C@H](NC(=[NH2+])NCc2ccccc2)CC1=O ZINC000306278194 359510060 /nfs/dbraw/zinc/51/00/60/359510060.db2.gz PPYICQFDKSAQQW-LLVKDONJSA-N 1 0 246.314 0.531 10 0 BCAERO CC[C@@H]1CN(C(=O)[C@@H]2CC[NH2+]C2)CCS1 ZINC000158370018 359547763 /nfs/dbraw/zinc/54/77/63/359547763.db2.gz AFPUWSMIDFLGKK-NXEZZACHSA-N 1 0 228.361 0.950 10 0 BCAERO Cc1nnsc1C[C@@]1(C[NH3+])CCCO1 ZINC000306305393 359587791 /nfs/dbraw/zinc/58/77/91/359587791.db2.gz IPIQTCYBETWUNN-SECBINFHSA-N 1 0 213.306 0.897 10 0 BCAERO O[C@@H]1C[NH2+]CCN(CC=C(Cl)Cl)C1 ZINC000403597159 359590990 /nfs/dbraw/zinc/59/09/90/359590990.db2.gz FZKXJSQKBBVBJW-SSDOTTSWSA-N 1 0 225.119 0.572 10 0 BCAERO C[C@H](O[C@@H]1CC[NH2+]CC1(C)C)C(N)=O ZINC000306317048 359597734 /nfs/dbraw/zinc/59/77/34/359597734.db2.gz SKPMOSNCTOUYBG-JGVFFNPUSA-N 1 0 200.282 0.265 10 0 BCAERO COc1ccccc1C[NH2+][C@H]1CCOC[C@@H]1O ZINC000623764601 359625183 /nfs/dbraw/zinc/62/51/83/359625183.db2.gz HLEWBCZVRHZWML-RYUDHWBXSA-N 1 0 237.299 0.935 10 0 BCAERO Cc1ccc(O)c(C[NH2+][C@H]2CCOC[C@H]2O)n1 ZINC000623765144 359641333 /nfs/dbraw/zinc/64/13/33/359641333.db2.gz OHZSCPVRZTYDRO-JOYOIKCWSA-N 1 0 238.287 0.335 10 0 BCAERO CCOC(=O)CCNC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000089461152 359646021 /nfs/dbraw/zinc/64/60/21/359646021.db2.gz ADUIFLXVNVSQDZ-VHSXEESVSA-N 1 0 242.319 0.431 10 0 BCAERO C[NH2+][C@H](C)C(=O)N[C@H]1CCC(F)(F)C1 ZINC000306341690 359661018 /nfs/dbraw/zinc/66/10/18/359661018.db2.gz YDZUUBLFMLUQKC-RQJHMYQMSA-N 1 0 206.236 0.898 10 0 BCAERO CC(C)([NH2+][C@@H]1CCCC[C@H]1O)C(N)=O ZINC000040675045 359770297 /nfs/dbraw/zinc/77/02/97/359770297.db2.gz XRCZNKBADWHHJG-HTQZYQBOSA-N 1 0 200.282 0.143 10 0 BCAERO O=C1NCC[C@H]1[NH2+][C@H]1CCC(F)(F)C1 ZINC000306425273 359865961 /nfs/dbraw/zinc/86/59/61/359865961.db2.gz GWNRKBCHQBQYIS-NKWVEPMBSA-N 1 0 204.220 0.652 10 0 BCAERO CC1(C[NH2+][C@@H]2CCCN(CCO)C2)CC1 ZINC000309147059 491145621 /nfs/dbraw/zinc/14/56/21/491145621.db2.gz VLVCVIUYMAMNPN-LLVKDONJSA-N 1 0 212.337 0.833 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@]1(C)CCCO1 ZINC000087253881 359904535 /nfs/dbraw/zinc/90/45/35/359904535.db2.gz IDXUIEXYXXKNIM-FOGDFJRCSA-N 1 0 226.320 0.527 10 0 BCAERO Cc1nn(C)cc1[C@@H](C)[NH2+][C@@H]1CCCNC1=O ZINC000087409674 359910584 /nfs/dbraw/zinc/91/05/84/359910584.db2.gz REFIVNMDTRUCFK-LDYMZIIASA-N 1 0 236.319 0.658 10 0 BCAERO O=C(NC[C@H]1CC[NH2+]C1)c1ccccc1O ZINC000087654812 359922015 /nfs/dbraw/zinc/92/20/15/359922015.db2.gz HZIDZHWFTYGRGZ-VIFPVBQESA-N 1 0 220.272 0.732 10 0 BCAERO O=C(NC[C@@H]1CC[NH2+]C1)c1ccccc1O ZINC000087654811 359922082 /nfs/dbraw/zinc/92/20/82/359922082.db2.gz HZIDZHWFTYGRGZ-SECBINFHSA-N 1 0 220.272 0.732 10 0 BCAERO C1COC2(CC[C@@H]([NH2+][C@@H]3CCOC3)C2)O1 ZINC000306442904 360014903 /nfs/dbraw/zinc/01/49/03/360014903.db2.gz ZDQBVMOXSYUHHA-NXEZZACHSA-N 1 0 213.277 0.661 10 0 BCAERO CN1CC(NC(=[NH2+])NCc2ccccc2)C1 ZINC000306471525 360097371 /nfs/dbraw/zinc/09/73/71/360097371.db2.gz RYSBWEVALKOWFR-UHFFFAOYSA-N 1 0 218.304 0.615 10 0 BCAERO C[C@@H]1C[C@@H]1[C@H]1NCCS(=O)(=O)[C@H]1C ZINC000306466472 360075233 /nfs/dbraw/zinc/07/52/33/360075233.db2.gz GBVXQDBVTIMGAN-XGEHTFHBSA-N 1 0 203.307 0.418 10 0 BCAERO Cn1ncnc1C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000306469205 360084102 /nfs/dbraw/zinc/08/41/02/360084102.db2.gz PBDWBRLRUHPUTD-HTQZYQBOSA-N 1 0 208.265 0.373 10 0 BCAERO Cn1ncnc1C(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000306469209 360084290 /nfs/dbraw/zinc/08/42/90/360084290.db2.gz PBDWBRLRUHPUTD-YUMQZZPRSA-N 1 0 208.265 0.373 10 0 BCAERO C[C@@H]([C@H]([NH3+])C1=COCC1)S(C)(=O)=O ZINC000306474139 360111708 /nfs/dbraw/zinc/11/17/08/360111708.db2.gz FPEDOAHMVYJTAO-XPUUQOCRSA-N 1 0 205.279 0.051 10 0 BCAERO Cn1nncc1C[N@@H+]1CCC[C@H]1CCCO ZINC000092784698 360196557 /nfs/dbraw/zinc/19/65/57/360196557.db2.gz CGEZXERLUGYVSG-JTQLQIEISA-N 1 0 224.308 0.552 10 0 BCAERO CC[C@@H]1C[NH2+]C[C@H]1N1CCS(=O)CC1 ZINC000161031541 360162142 /nfs/dbraw/zinc/16/21/42/360162142.db2.gz XWUNEDSXWGPNIV-NXEZZACHSA-N 1 0 216.350 0.049 10 0 BCAERO CCOCC(=O)N(C)C[C@@H]1CCC[N@@H+]1CC ZINC000092677449 360189618 /nfs/dbraw/zinc/18/96/18/360189618.db2.gz VNRZNQKFOQJYSL-NSHDSACASA-N 1 0 228.336 0.966 10 0 BCAERO C[NH2+]C[C@H](C)N1CCC[S@](=O)CC1 ZINC000306493362 360211249 /nfs/dbraw/zinc/21/12/49/360211249.db2.gz YZDQAXDZWGNOIY-ZANVPECISA-N 1 0 204.339 0.049 10 0 BCAERO C[NH2+]C[C@H](C)N1CCC[S@@](=O)CC1 ZINC000306493358 360211336 /nfs/dbraw/zinc/21/13/36/360211336.db2.gz YZDQAXDZWGNOIY-TVQRCGJNSA-N 1 0 204.339 0.049 10 0 BCAERO C[C@H]([NH3+])CN1CC[S@@](=O)C(C)(C)C1 ZINC000306494885 360215244 /nfs/dbraw/zinc/21/52/44/360215244.db2.gz BMDJICBRQBMYGQ-ISVAXAHUSA-N 1 0 204.339 0.177 10 0 BCAERO C[NH2+]C[C@@H]1CCN(C)[C@H]1c1csnn1 ZINC000306496061 360221875 /nfs/dbraw/zinc/22/18/75/360221875.db2.gz WQPAYYIRARKRQA-IONNQARKSA-N 1 0 212.322 0.750 10 0 BCAERO C[C@@H]1CN(CC(C)(C)[NH3+])CC[S@@]1=O ZINC000306496252 360224058 /nfs/dbraw/zinc/22/40/58/360224058.db2.gz DGNKEHLPLGXNQY-OQPBUACISA-N 1 0 204.339 0.177 10 0 BCAERO C[S@@](=O)CCNc1[nH+]ccc(N)c1N ZINC000306499573 360239877 /nfs/dbraw/zinc/23/98/77/360239877.db2.gz JXARWLYZCIHWTH-CQSZACIVSA-N 1 0 214.294 0.036 10 0 BCAERO [NH3+][C@H](CC(F)F)C(=O)Nc1ncc[nH]1 ZINC000306501992 360294683 /nfs/dbraw/zinc/29/46/83/360294683.db2.gz SVVASQIKKYRMIG-SCSAIBSYSA-N 1 0 204.180 0.331 10 0 BCAERO CN(C[C@@H]1CCOC1)C(=O)[C@@]1(C)CCC[NH2+]1 ZINC000398842195 360294856 /nfs/dbraw/zinc/29/48/56/360294856.db2.gz JZPAOQJTWWNOIH-CMPLNLGQSA-N 1 0 226.320 0.623 10 0 BCAERO [NH3+]C[C@@H]1CC(=O)N([C@@H]2CCSC2)C1 ZINC000231417981 360273015 /nfs/dbraw/zinc/27/30/15/360273015.db2.gz XAGILSYJZJJRJG-JGVFFNPUSA-N 1 0 200.307 0.299 10 0 BCAERO CC(C)C[C@H](C[NH3+])Nc1ccc(C(N)=O)nn1 ZINC000095013237 360331000 /nfs/dbraw/zinc/33/10/00/360331000.db2.gz YAADZDJONFOLIT-MRVPVSSYSA-N 1 0 237.307 0.361 10 0 BCAERO NC(=O)c1ccc(OC[C@@H]2CC[NH2+]C2)c(F)c1 ZINC000051888700 181300725 /nfs/dbraw/zinc/30/07/25/181300725.db2.gz AOEXZMCNWSNVJG-MRVPVSSYSA-N 1 0 238.262 0.913 10 0 BCAERO O=C(Nc1ccc(Cl)nn1)[C@H]1CC[NH2+]1 ZINC000306522234 360355947 /nfs/dbraw/zinc/35/59/47/360355947.db2.gz PJIVJKBJBBYTJC-RXMQYKEDSA-N 1 0 212.640 0.430 10 0 BCAERO C[C@H]([NH3+])[C@H](C)C(=O)N[C@H]1CSC[C@@H]1C ZINC000306562749 360438946 /nfs/dbraw/zinc/43/89/46/360438946.db2.gz CPWNLNAZSMEWAE-JBDRJPRFSA-N 1 0 216.350 0.837 10 0 BCAERO COC1([C@@H]2OC[C@H](C[NH3+])O2)CCCC1 ZINC000306543341 360411623 /nfs/dbraw/zinc/41/16/23/360411623.db2.gz SBEQERFWYOWYDG-DTWKUNHWSA-N 1 0 201.266 0.646 10 0 BCAERO CC[C@H](C(N)=O)[N@@H+]1CCSC[C@@H]1C ZINC000069761443 360421189 /nfs/dbraw/zinc/42/11/89/360421189.db2.gz DFPQUWLOXYSJMW-JGVFFNPUSA-N 1 0 202.323 0.688 10 0 BCAERO C[C@@H]1CN(c2ncns2)C[C@@]1(C)C[NH3+] ZINC000306551741 360425856 /nfs/dbraw/zinc/42/58/56/360425856.db2.gz APEBRZIPEMOKMD-VXNVDRBHSA-N 1 0 212.322 0.959 10 0 BCAERO [NH3+][C@@H]1CCC[C@H]1C(=O)Cc1csnn1 ZINC000306553741 360426846 /nfs/dbraw/zinc/42/68/46/360426846.db2.gz GVNZEQPPKJFXHD-HTQZYQBOSA-N 1 0 211.290 0.777 10 0 BCAERO CN([C@@H]1CC[NH2+]C1)[S@@](=O)C1CCCC1 ZINC000306560248 360435185 /nfs/dbraw/zinc/43/51/85/360435185.db2.gz RLEDRXHHNOLAJF-OTYXRUKQSA-N 1 0 216.350 0.886 10 0 BCAERO CSc1cc(NC2(C)C[NH2+]C2)ncn1 ZINC000306579578 360473090 /nfs/dbraw/zinc/47/30/90/360473090.db2.gz NCBNKSQQWUKBFP-UHFFFAOYSA-N 1 0 210.306 0.972 10 0 BCAERO NC(=O)c1ccc(OC2CC[NH2+]CC2)nc1 ZINC000051865591 181301551 /nfs/dbraw/zinc/30/15/51/181301551.db2.gz QCULZWYADLDWLX-UHFFFAOYSA-N 1 0 221.260 0.311 10 0 BCAERO N#Cc1ncccc1NC[C@H]1C[NH2+]CCCO1 ZINC000389807189 360464485 /nfs/dbraw/zinc/46/44/85/360464485.db2.gz LSEKADPLQIRUCQ-SNVBAGLBSA-N 1 0 232.287 0.744 10 0 BCAERO Cc1nnc(C(=O)C2=CC[C@@H]([NH3+])C2)n1C ZINC000306578644 360468650 /nfs/dbraw/zinc/46/86/50/360468650.db2.gz MPTUHNHMLUOYJP-JGVFFNPUSA-N 1 0 206.249 0.210 10 0 BCAERO C[C@@H]([NH3+])[C@@](C)(O)c1c(Br)nnn1C ZINC000306600362 360521027 /nfs/dbraw/zinc/52/10/27/360521027.db2.gz SVRPMTFNSUKMHI-CLZZGJSISA-N 1 0 249.112 0.132 10 0 BCAERO C[C@H]1CC[C@@H](C(=O)c2cn(C)cn2)C[NH2+]1 ZINC000306591268 360505046 /nfs/dbraw/zinc/50/50/46/360505046.db2.gz YKANAAPOEPCEAH-DTWKUNHWSA-N 1 0 207.277 0.991 10 0 BCAERO [NH3+][C@@H]1CN(c2cncc(Br)c2)C1=O ZINC000300808069 360512378 /nfs/dbraw/zinc/51/23/78/360512378.db2.gz DTRNZKGACYAMCG-SSDOTTSWSA-N 1 0 242.076 0.518 10 0 BCAERO COC1(OC)CN([C@H]2C[NH2+][C@@H](C)C2)C1 ZINC000306594702 360512559 /nfs/dbraw/zinc/51/25/59/360512559.db2.gz XMEGRFQDPYXHFO-DTWKUNHWSA-N 1 0 200.282 0.042 10 0 BCAERO O=C(NC[C@@H]1CCCOC1)C1CC[NH2+]CC1 ZINC000038046061 219820765 /nfs/dbraw/zinc/82/07/65/219820765.db2.gz KAZYUVUWWSVHKK-JTQLQIEISA-N 1 0 226.320 0.529 10 0 BCAERO NC(=O)c1cccc(C(=O)N[C@@H]2CCC[C@@H]2[NH3+])c1 ZINC000063172769 181301827 /nfs/dbraw/zinc/30/18/27/181301827.db2.gz HKHIQILSSRTWLG-WDEREUQCSA-N 1 0 247.298 0.395 10 0 BCAERO NC(=O)c1cccnc1OC[C@H]1CCC[NH2+]C1 ZINC000051882982 181307278 /nfs/dbraw/zinc/30/72/78/181307278.db2.gz HYPJCXIJZQBZNH-VIFPVBQESA-N 1 0 235.287 0.559 10 0 BCAERO NC(=O)c1ccccc1NC1CC([NH3+])C1 ZINC000036268784 181306423 /nfs/dbraw/zinc/30/64/23/181306423.db2.gz LCWIRWDSUFKEKQ-UHFFFAOYSA-N 1 0 205.261 0.687 10 0 BCAERO NC(=O)c1ccccc1NC1CC[NH2+]CC1 ZINC000037116610 181306512 /nfs/dbraw/zinc/30/65/12/181306512.db2.gz WGGUCUOIRAWJJA-UHFFFAOYSA-N 1 0 219.288 0.949 10 0 BCAERO NC(=O)c1ccccc1OC1CC[NH2+]CC1 ZINC000043501228 181306815 /nfs/dbraw/zinc/30/68/15/181306815.db2.gz NSEJHMXXBILHCX-UHFFFAOYSA-N 1 0 220.272 0.916 10 0 BCAERO NC(=O)c1ccnc(OC[C@@H]2CCC[NH2+]2)c1 ZINC000051866175 181307054 /nfs/dbraw/zinc/30/70/54/181307054.db2.gz VPXNBBJKEWMAHI-VIFPVBQESA-N 1 0 221.260 0.311 10 0 BCAERO NC(=O)c1cccnc1N[C@H]1CCCC[C@H]1[NH3+] ZINC000038050693 181307183 /nfs/dbraw/zinc/30/71/83/181307183.db2.gz ZKCKNRCWAXPHMS-ZJUUUORDSA-N 1 0 234.303 0.862 10 0 BCAERO CC(=O)N(Cc1noc(C)n1)[C@@H]1CC[NH2+]C1 ZINC000082160355 200664606 /nfs/dbraw/zinc/66/46/06/200664606.db2.gz JXQVVQMCMHWUOO-SECBINFHSA-N 1 0 224.264 0.088 10 0 BCAERO NC(=O)c1nccnc1NCCC[NH2+]C1CC1 ZINC000054399035 181314342 /nfs/dbraw/zinc/31/43/42/181314342.db2.gz LRDORRCHANAAKA-UHFFFAOYSA-N 1 0 235.291 0.130 10 0 BCAERO NC(=S)CC[N@@H+]1CCCC[C@H]1CCO ZINC000019481034 181314720 /nfs/dbraw/zinc/31/47/20/181314720.db2.gz BIRZRGPSSGJOFD-VIFPVBQESA-N 1 0 216.350 0.900 10 0 BCAERO COCC[C@@H](C)NC(=O)[C@@]1(C)CCC[NH2+]1 ZINC000081713010 360990670 /nfs/dbraw/zinc/99/06/70/360990670.db2.gz HEPUDIVQWYLOLC-MWLCHTKSSA-N 1 0 214.309 0.670 10 0 BCAERO [NH3+]C1(C(=O)N2CCC(O)CC2)CCCCC1 ZINC000019435086 181324458 /nfs/dbraw/zinc/32/44/58/181324458.db2.gz HJQXZDPHUSWVDN-UHFFFAOYSA-N 1 0 226.320 0.631 10 0 BCAERO [NH3+]C1(C(=O)N2CCC(O)CC2)CCCC1 ZINC000037479406 181324659 /nfs/dbraw/zinc/32/46/59/181324659.db2.gz GXEBHCLUYQFCOO-UHFFFAOYSA-N 1 0 212.293 0.241 10 0 BCAERO Cc1csc(N[C@]2(C[NH3+])CCOC2)n1 ZINC000306617322 361173159 /nfs/dbraw/zinc/17/31/59/361173159.db2.gz QEYCGGWMVUDJGS-VIFPVBQESA-N 1 0 213.306 0.981 10 0 BCAERO Cc1csc(N[C@@]2(C[NH3+])CCOC2)n1 ZINC000306617321 361173180 /nfs/dbraw/zinc/17/31/80/361173180.db2.gz QEYCGGWMVUDJGS-SECBINFHSA-N 1 0 213.306 0.981 10 0 BCAERO [NH3+]C1(C(=O)NC2CCC(O)CC2)CCCC1 ZINC000037479368 181325478 /nfs/dbraw/zinc/32/54/78/181325478.db2.gz YSTXEXFEZSFGJD-UHFFFAOYSA-N 1 0 226.320 0.678 10 0 BCAERO Cc1nnc(N(C)[C@H]2CC[NH2+]C2)nc1C ZINC000158975294 361217859 /nfs/dbraw/zinc/21/78/59/361217859.db2.gz KYAKNEIFYOBGJP-VIFPVBQESA-N 1 0 207.281 0.287 10 0 BCAERO Cc1nc(C)n([C@H](C[NH3+])C(F)(F)F)n1 ZINC000041062656 361244226 /nfs/dbraw/zinc/24/42/26/361244226.db2.gz LFJLBSZMKYHDEM-ZCFIWIBFSA-N 1 0 208.187 0.957 10 0 BCAERO CC(C)(C[NH3+])NC(=O)[C@@H]1CCSC1 ZINC000069986806 361322237 /nfs/dbraw/zinc/32/22/37/361322237.db2.gz RZNRBIVXGROSAC-SSDOTTSWSA-N 1 0 202.323 0.593 10 0 BCAERO O=C(N[C@H]1CC[NH2+]C1)[C@H]1CCSC1 ZINC000069986701 361322461 /nfs/dbraw/zinc/32/24/61/361322461.db2.gz ZCKSPKKJPRXVRM-YUMQZZPRSA-N 1 0 200.307 0.218 10 0 BCAERO [NH3+]C1(C(=O)OC2CCOCC2)CCCC1 ZINC000040991994 181329731 /nfs/dbraw/zinc/32/97/31/181329731.db2.gz UOYVOJLUSPHPFA-UHFFFAOYSA-N 1 0 213.277 0.980 10 0 BCAERO CCOC1CC([NH2+][C@@H]2CCCNC2=O)C1 ZINC000162848501 361367699 /nfs/dbraw/zinc/36/76/99/361367699.db2.gz IHNMNZKVENHNRQ-UDNWOFFPSA-N 1 0 212.293 0.422 10 0 BCAERO C[C@H]1CN(CCOC2CCOCC2)C[C@@H]1[NH3+] ZINC000629535235 361409802 /nfs/dbraw/zinc/40/98/02/361409802.db2.gz FMNBCQJANWBFKC-JQWIXIFHSA-N 1 0 228.336 0.461 10 0 BCAERO CCc1nnc(C[NH2+][C@@H]2CCOC[C@H]2C)n1C ZINC000433171546 201164193 /nfs/dbraw/zinc/16/41/93/201164193.db2.gz DWSXCUCVYFEWKT-NXEZZACHSA-N 1 0 238.335 0.892 10 0 BCAERO O[C@H](C[NH2+][C@H]1CCOC[C@@H]1O)CC(F)(F)F ZINC000629608683 361495422 /nfs/dbraw/zinc/49/54/22/361495422.db2.gz LFLHZFXJOPDTTQ-FXQIFTODSA-N 1 0 243.225 0.039 10 0 BCAERO CN1CCOC[C@@H]1C[NH2+][C@@H]1CCCC[C@H]1O ZINC000629599444 361487579 /nfs/dbraw/zinc/48/75/79/361487579.db2.gz HGXPPVFPSVVUIK-QJPTWQEYSA-N 1 0 228.336 0.210 10 0 BCAERO O[C@H](C[NH2+][C@H]1CCOC[C@@H]1O)CC1CCCC1 ZINC000629608500 361496150 /nfs/dbraw/zinc/49/61/50/361496150.db2.gz JFTXVHPYEYWLIQ-AVGNSLFASA-N 1 0 243.347 0.667 10 0 BCAERO O[C@H]1COCC[C@@H]1[NH2+]CC1(O)CCCC1 ZINC000629609038 361496445 /nfs/dbraw/zinc/49/64/45/361496445.db2.gz TUYVPBIQKRVOPL-UWVGGRQHSA-N 1 0 215.293 0.031 10 0 BCAERO O[C@H]1COCC[C@H]1[NH2+]CC1(O)CCCC1 ZINC000629609044 361496931 /nfs/dbraw/zinc/49/69/31/361496931.db2.gz TUYVPBIQKRVOPL-ZJUUUORDSA-N 1 0 215.293 0.031 10 0 BCAERO C[C@@H]([NH3+])[C@@H](N1CC(C)(O)C1)C(F)(F)F ZINC000306639148 361590912 /nfs/dbraw/zinc/59/09/12/361590912.db2.gz CYCMHWKLTKFQAE-PHDIDXHHSA-N 1 0 212.215 0.331 10 0 BCAERO O=C1NCC[C@@H]1[NH2+]C[C@H]1CCCCS1 ZINC000306639002 361590916 /nfs/dbraw/zinc/59/09/16/361590916.db2.gz CFKJBJSBEBHCFK-BDAKNGLRSA-N 1 0 214.334 0.750 10 0 BCAERO C[C@@H]1[C@@H](O)CCC[N@@H+]1CCCN1CCOCC1 ZINC000448549104 201215147 /nfs/dbraw/zinc/21/51/47/201215147.db2.gz UXCZSADUOQJDPM-OLZOCXBDSA-N 1 0 242.363 0.554 10 0 BCAERO Cc1nn(C)cc1C(=O)C1CC[NH2+]CC1 ZINC000306638488 361586802 /nfs/dbraw/zinc/58/68/02/361586802.db2.gz CIZITVITJOGXER-UHFFFAOYSA-N 1 0 207.277 0.911 10 0 BCAERO CC[C@](C)(O)C[NH2+][C@@H]1CCCC[C@H]1C(N)=O ZINC000249285509 325643273 /nfs/dbraw/zinc/64/32/73/325643273.db2.gz PHFXSISILIIXPF-FOGDFJRCSA-N 1 0 228.336 0.781 10 0 BCAERO COC1CC([NH2+][C@@H]2CCc3nccn3C2)C1 ZINC000309978061 491159265 /nfs/dbraw/zinc/15/92/65/491159265.db2.gz USSBLJFLOOQDAD-KPPDAEKUSA-N 1 0 221.304 0.965 10 0 BCAERO [NH3+]C1CCC(C(=O)N2CCC[C@@H](O)C2)CC1 ZINC000037655134 181340452 /nfs/dbraw/zinc/34/04/52/181340452.db2.gz DSLNGTWMBGQWEQ-VQXHTEKXSA-N 1 0 226.320 0.487 10 0 BCAERO Cc1nn([C@H]2C[NH2+]C[C@H]2O)cc1Cl ZINC000070630449 361682906 /nfs/dbraw/zinc/68/29/06/361682906.db2.gz GXFHUXXZXLCKOW-JGVFFNPUSA-N 1 0 201.657 0.350 10 0 BCAERO Cc1nn(C[C@H]2C[NH2+]CCO2)cc1Cl ZINC000070649682 361694917 /nfs/dbraw/zinc/69/49/17/361694917.db2.gz OXEYFLCJEWURGM-MRVPVSSYSA-N 1 0 215.684 0.833 10 0 BCAERO Cc1c(Cl)cnn1C[C@@H]1C[NH2+]CCO1 ZINC000070649683 361695075 /nfs/dbraw/zinc/69/50/75/361695075.db2.gz JSTVVLYQDZEIEF-QMMMGPOBSA-N 1 0 215.684 0.833 10 0 BCAERO C[C@@H](O)[C@@H]([NH3+])CNc1ncccc1Cl ZINC000070648164 361695516 /nfs/dbraw/zinc/69/55/16/361695516.db2.gz MPFVGKDGFPBAKC-SVRRBLITSA-N 1 0 215.684 0.855 10 0 BCAERO C[C@H](O)[C@@H]([NH3+])CNc1ccc(Cl)cn1 ZINC000070648123 361695683 /nfs/dbraw/zinc/69/56/83/361695683.db2.gz USIUHAMFUIKQDJ-XPUUQOCRSA-N 1 0 215.684 0.855 10 0 BCAERO C[C@@H](O)[C@H]([NH3+])CNc1ccc(Cl)cn1 ZINC000070648122 361696189 /nfs/dbraw/zinc/69/61/89/361696189.db2.gz USIUHAMFUIKQDJ-HTRCEHHLSA-N 1 0 215.684 0.855 10 0 BCAERO O=C([C@@H]1CCSC1)N1CCC[NH2+]CC1 ZINC000070651428 361696855 /nfs/dbraw/zinc/69/68/55/361696855.db2.gz VVYFVFQWUPFFSN-SECBINFHSA-N 1 0 214.334 0.561 10 0 BCAERO [NH3+]C1C[C@H]2CC[C@@H](C1)N2CC(=O)NCC1CC1 ZINC000040749952 181345279 /nfs/dbraw/zinc/34/52/79/181345279.db2.gz HLYLETQWBZUAIQ-YOGCLGLASA-N 1 0 237.347 0.467 10 0 BCAERO [NH3+]Cc1csc(N2CCS(=O)CC2)n1 ZINC000070682190 361720458 /nfs/dbraw/zinc/72/04/58/361720458.db2.gz RRPNWRJHJPJBNL-UHFFFAOYSA-N 1 0 231.346 0.171 10 0 BCAERO Cc1ccc(C[NH2+][C@@H]2CCC(=O)NC2)cn1 ZINC000155815728 201353741 /nfs/dbraw/zinc/35/37/41/201353741.db2.gz AGHIFSPCOGBAAR-LLVKDONJSA-N 1 0 219.288 0.758 10 0 BCAERO C[C@H]([NH3+])CC(=O)N[C@@H]1CCC[C@@H](O)C1 ZINC000224901544 363887449 /nfs/dbraw/zinc/88/74/49/363887449.db2.gz AFXBLAFLZXUNFW-DJLDLDEBSA-N 1 0 200.282 0.143 10 0 BCAERO [NH3+]CC(=O)NCC[S@@](=O)Cc1ccccc1 ZINC000237969315 181352342 /nfs/dbraw/zinc/35/23/42/181352342.db2.gz CXDBKYSJNLVNMQ-MRXNPFEDSA-N 1 0 240.328 0.010 10 0 BCAERO C[NH2+]C[C@H]1OCCN(C)[C@@H]1c1cnn(C)c1 ZINC000069797509 541304276 /nfs/dbraw/zinc/30/42/76/541304276.db2.gz GUUUFGPKSXSYCA-GHMZBOCLSA-N 1 0 224.308 0.011 10 0 BCAERO C[C@H](C[NH3+])[C@H](O)c1cnn(C)c1Br ZINC000306806355 541314125 /nfs/dbraw/zinc/31/41/25/541314125.db2.gz JKYCEILQHLBUHT-VDTYLAMSSA-N 1 0 248.124 0.811 10 0 BCAERO C[NH+](C)C[C@H](CO)NC(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000614860214 364015422 /nfs/dbraw/zinc/01/54/22/364015422.db2.gz TYMCXDVVSVQVME-LMLFDSFASA-N 1 0 226.320 0.071 10 0 BCAERO [NH3+]CC(=O)NCc1ccccc1-n1cccn1 ZINC000040495740 181354065 /nfs/dbraw/zinc/35/40/65/181354065.db2.gz HUZODYMTJYDPMF-UHFFFAOYSA-N 1 0 230.271 0.447 10 0 BCAERO [NH3+]CC(=O)Nc1ccc(-n2cc[nH]c2=O)cc1 ZINC000037768948 181355034 /nfs/dbraw/zinc/35/50/34/181355034.db2.gz UFPYLAYTKVEKKA-UHFFFAOYSA-N 1 0 232.243 0.063 10 0 BCAERO CC(C)(C)NC(=O)NC[C@H]([NH3+])[C@@H]1CCCOC1 ZINC000725255136 541332287 /nfs/dbraw/zinc/33/22/87/541332287.db2.gz UDZZUQKVZIBLJD-ZJUUUORDSA-N 1 0 243.351 0.838 10 0 BCAERO CCOCCN1C[C@H](OC)C[C@]1(C)C[NH3+] ZINC000630356051 364077910 /nfs/dbraw/zinc/07/79/10/364077910.db2.gz NFYHJFRSBNUYSA-GHMZBOCLSA-N 1 0 216.325 0.461 10 0 BCAERO CO[C@@H]1C[N@H+](CC2CCOCC2)[C@](C)(C[NH3+])C1 ZINC000630363729 364079200 /nfs/dbraw/zinc/07/92/00/364079200.db2.gz QXJZYDPBPOEWBV-STQMWFEESA-N 1 0 242.363 0.851 10 0 BCAERO CO[C@@H]1CN(Cc2cc(C)on2)[C@@](C)(C[NH3+])C1 ZINC000630358796 364079283 /nfs/dbraw/zinc/07/92/83/364079283.db2.gz BUHGYDOPXQWRGT-NWDGAFQWSA-N 1 0 239.319 0.921 10 0 BCAERO CO[C@@H]1CN(Cc2coc(C)n2)[C@](C)(C[NH3+])C1 ZINC000630366777 364085124 /nfs/dbraw/zinc/08/51/24/364085124.db2.gz LPMMTIGMJIFQFF-RYUDHWBXSA-N 1 0 239.319 0.921 10 0 BCAERO C[NH2+]C[C@@H](O)COc1ccc(CCOC)cc1 ZINC000037429247 364025855 /nfs/dbraw/zinc/02/58/55/364025855.db2.gz UDVFGZLKFQIUSK-GFCCVEGCSA-N 1 0 239.315 0.835 10 0 BCAERO C[NH2+]C[C@H](O)COc1ccc(CCOC)cc1 ZINC000037429246 364026622 /nfs/dbraw/zinc/02/66/22/364026622.db2.gz UDVFGZLKFQIUSK-LBPRGKRZSA-N 1 0 239.315 0.835 10 0 BCAERO CO[C@@H]1CN(C(=O)c2ccc[nH]2)[C@](C)(C[NH3+])C1 ZINC000630367295 364084891 /nfs/dbraw/zinc/08/48/91/364084891.db2.gz NOZPRGSJUFTWGJ-CABZTGNLSA-N 1 0 237.303 0.593 10 0 BCAERO CO[C@H]1CN(Cc2ccon2)[C@](C)(C[NH3+])C1 ZINC000630362556 364082216 /nfs/dbraw/zinc/08/22/16/364082216.db2.gz OBNUGYWRHNRPJY-MNOVXSKESA-N 1 0 225.292 0.613 10 0 BCAERO [NH3+]CC(=O)Nc1ccc(-n2cncn2)c(F)c1 ZINC000037771230 181355270 /nfs/dbraw/zinc/35/52/70/181355270.db2.gz FVIPURXIDWIBPT-UHFFFAOYSA-N 1 0 235.222 0.304 10 0 BCAERO CO[C@H]1CN(Cc2conc2C)[C@@](C)(C[NH3+])C1 ZINC000630364059 364083203 /nfs/dbraw/zinc/08/32/03/364083203.db2.gz CKFKRXUZVLSYCF-VXGBXAGGSA-N 1 0 239.319 0.921 10 0 BCAERO CC[C@H](C)C(=O)N1C[C@H](OC)C[C@@]1(C)C[NH3+] ZINC000630366442 364086497 /nfs/dbraw/zinc/08/64/97/364086497.db2.gz KMDAZUVRLGBZHL-UMNHJUIQSA-N 1 0 228.336 0.997 10 0 BCAERO CO[C@H]1CN(C(=O)c2ccncc2)[C@@](C)(C[NH3+])C1 ZINC000630369652 364087617 /nfs/dbraw/zinc/08/76/17/364087617.db2.gz BOTSRKQQZKXVRN-DGCLKSJQSA-N 1 0 249.314 0.660 10 0 BCAERO CO[C@@H]1CN(C(=O)COC(C)C)[C@@](C)(C[NH3+])C1 ZINC000630373357 364089296 /nfs/dbraw/zinc/08/92/96/364089296.db2.gz ZNXTWRUTWZONDB-CMPLNLGQSA-N 1 0 244.335 0.376 10 0 BCAERO CO[C@@H]1CN(C(=O)[C@H](C)C2CC2)[C@](C)(C[NH3+])C1 ZINC000630372344 364089518 /nfs/dbraw/zinc/08/95/18/364089518.db2.gz WWLFXCYJJGJRAX-CDMKHQONSA-N 1 0 240.347 0.997 10 0 BCAERO CO[C@H]1CN(C(=O)c2ccccn2)[C@](C)(C[NH3+])C1 ZINC000630372175 364089575 /nfs/dbraw/zinc/08/95/75/364089575.db2.gz PQQGLBIVMUURMX-MFKMUULPSA-N 1 0 249.314 0.660 10 0 BCAERO COc1cc(N2C[C@H](C)[C@H](C[NH3+])C2)ncn1 ZINC000630386866 364101089 /nfs/dbraw/zinc/10/10/89/364101089.db2.gz ASWRBZMRVXYKNE-DTWKUNHWSA-N 1 0 222.292 0.516 10 0 BCAERO COc1ccnc(N2C[C@H](C)[C@@H](C[NH3+])C2)n1 ZINC000630387446 364102422 /nfs/dbraw/zinc/10/24/22/364102422.db2.gz PHTAYPPRQMEUDC-IUCAKERBSA-N 1 0 222.292 0.516 10 0 BCAERO [NH3+]CC1(C(=O)N2CCCSCC2)CC1 ZINC000082642720 181357566 /nfs/dbraw/zinc/35/75/66/181357566.db2.gz FKKNMYREVODQSO-UHFFFAOYSA-N 1 0 214.334 0.691 10 0 BCAERO COC(=O)CNC[C@@H]1C[NH2+]CC12CCC2 ZINC000725268920 541338136 /nfs/dbraw/zinc/33/81/36/541338136.db2.gz GJTCJHLMRTYALR-SECBINFHSA-N 1 0 212.293 0.139 10 0 BCAERO C[C@H](O)C[N@H+](C)[C@H]1CCO[C@]12CCOC2 ZINC000725268935 541338522 /nfs/dbraw/zinc/33/85/22/541338522.db2.gz HDNJTMYLWNWQAD-DCAQKATOSA-N 1 0 215.293 0.247 10 0 BCAERO C[C@H](O)C[N@H+](C)[C@@H]1CCO[C@@]12CCOC2 ZINC000725268937 541338705 /nfs/dbraw/zinc/33/87/05/541338705.db2.gz HDNJTMYLWNWQAD-HBNTYKKESA-N 1 0 215.293 0.247 10 0 BCAERO COc1cccnc1NC[C@H]1C[NH2+]C[C@H]1O ZINC000630514111 364199008 /nfs/dbraw/zinc/19/90/08/364199008.db2.gz VDEKPCMKGBSPJE-RKDXNWHRSA-N 1 0 223.276 0.082 10 0 BCAERO CCOc1nccnc1N(CC)CC[NH3+] ZINC000630524148 364209707 /nfs/dbraw/zinc/20/97/07/364209707.db2.gz WGYNUPVZEYYTKC-UHFFFAOYSA-N 1 0 210.281 0.660 10 0 BCAERO [NH3+]CC1(C(=O)N2CCOCC2)CCCCC1 ZINC000044753647 181358355 /nfs/dbraw/zinc/35/83/55/181358355.db2.gz IVJWPWYVBIHIGR-UHFFFAOYSA-N 1 0 226.320 0.754 10 0 BCAERO C[NH2+]CCOCCN(C)c1ncc(C)cn1 ZINC000630529334 364217385 /nfs/dbraw/zinc/21/73/85/364217385.db2.gz WBTHBBBYCDOXRU-UHFFFAOYSA-N 1 0 224.308 0.457 10 0 BCAERO [NH3+]CC1(C(=O)N[C@H]2CCCC[C@H]2O)CCCC1 ZINC000052008186 181358680 /nfs/dbraw/zinc/35/86/80/181358680.db2.gz ZGOGLCZWCXWXHB-WDEREUQCSA-N 1 0 240.347 0.925 10 0 BCAERO [NH3+][C@H]1CCCCCN(c2nccn3cnnc23)C1 ZINC000630549328 364242471 /nfs/dbraw/zinc/24/24/71/364242471.db2.gz MUWHHFOPMOBIBZ-JTQLQIEISA-N 1 0 246.318 0.832 10 0 BCAERO C[C@H]1CCC[N@H+](CC[C@@H]([NH3+])C(=O)[O-])C1 ZINC000218559296 541349185 /nfs/dbraw/zinc/34/91/85/541349185.db2.gz UHDGRPJZZAWQDF-DTWKUNHWSA-N 1 0 200.282 0.520 10 0 BCAERO CCn1ccnc(N2C[C@@H](C[NH3+])[C@H](C)C2)c1=O ZINC000630552749 364246610 /nfs/dbraw/zinc/24/66/10/364246610.db2.gz HFVCNICAOUNIBZ-NXEZZACHSA-N 1 0 236.319 0.294 10 0 BCAERO CCOc1nccnc1N1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000630553165 364247807 /nfs/dbraw/zinc/24/78/07/364247807.db2.gz IQIJBJYVZIKJOQ-ZJUUUORDSA-N 1 0 236.319 0.906 10 0 BCAERO C[C@@H]1C[C@H]([NH3+])CN1c1cnn(C)c(=O)c1Cl ZINC000630556736 364257386 /nfs/dbraw/zinc/25/73/86/364257386.db2.gz CGNXNWYASQZIDP-RQJHMYQMSA-N 1 0 242.710 0.360 10 0 BCAERO Cc1noc2ncnc(N3C[C@@H]([NH3+])C[C@@H]3C)c12 ZINC000630556780 364257777 /nfs/dbraw/zinc/25/77/77/364257777.db2.gz CZHPHPKQLZBDKJ-XPUUQOCRSA-N 1 0 233.275 0.852 10 0 BCAERO C[C@@H]1CN(c2ccc3nncn3n2)C[C@@H]1C[NH3+] ZINC000630571735 364267367 /nfs/dbraw/zinc/26/73/67/364267367.db2.gz OVULFNJZASNYDW-BDAKNGLRSA-N 1 0 232.291 0.155 10 0 BCAERO COc1ccnc(NCCOCCC[NH3+])n1 ZINC000630534243 364227247 /nfs/dbraw/zinc/22/72/47/364227247.db2.gz JEVFPBJCHDHJHS-UHFFFAOYSA-N 1 0 226.280 0.263 10 0 BCAERO [NH3+]CC1([C@H]2CCS(=O)(=O)C2)CCCC1 ZINC000054635680 181361427 /nfs/dbraw/zinc/36/14/27/181361427.db2.gz PGANHUIQWSPVTN-VIFPVBQESA-N 1 0 217.334 0.940 10 0 BCAERO C[C@@H](O)CC[N@@H+]1CCC[C@@H]1CCCO ZINC000134011639 364382818 /nfs/dbraw/zinc/38/28/18/364382818.db2.gz QDQQDJGEUYKRMZ-GHMZBOCLSA-N 1 0 201.310 0.994 10 0 BCAERO COC(=O)CCC[NH2+][C@H]1CCO[C@@H]1C ZINC000134386511 364401682 /nfs/dbraw/zinc/40/16/82/364401682.db2.gz MCEQDMODVGZHNV-BDAKNGLRSA-N 1 0 201.266 0.707 10 0 BCAERO CC[C@H](C)NC(=O)C[NH2+][C@H]1CCO[C@@H]1C ZINC000134544857 364405232 /nfs/dbraw/zinc/40/52/32/364405232.db2.gz MXPIBTYIRLBPRU-AEJSXWLSSA-N 1 0 214.309 0.668 10 0 BCAERO [NH3+]CC1(c2nnc3cccnn32)CCCC1 ZINC000082976006 181364453 /nfs/dbraw/zinc/36/44/53/181364453.db2.gz NQPPAYLEXMYKQC-UHFFFAOYSA-N 1 0 217.276 0.895 10 0 BCAERO CCN(CCC(=O)OC)C[C@@H]1CCC[N@@H+]1C ZINC000387478205 366842477 /nfs/dbraw/zinc/84/24/77/366842477.db2.gz UTZQMZQPTMUKMC-NSHDSACASA-N 1 0 228.336 0.966 10 0 BCAERO C[C@@H](OCC1CC1)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170854995 364531261 /nfs/dbraw/zinc/53/12/61/364531261.db2.gz RNDMNGBSROARFO-ZYHUDNBSSA-N 1 0 240.347 0.964 10 0 BCAERO COCCOCCC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170855112 364531406 /nfs/dbraw/zinc/53/14/06/364531406.db2.gz AGQBAXXMXWIXFE-NSHDSACASA-N 1 0 244.335 0.202 10 0 BCAERO C[NH+](C)[C@H]1CCN(C(=O)C2CCOCC2)C1 ZINC000170859908 364532471 /nfs/dbraw/zinc/53/24/71/364532471.db2.gz LHVSSRMIHAOMCZ-NSHDSACASA-N 1 0 226.320 0.576 10 0 BCAERO CCO[C@H](C)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170866264 364545714 /nfs/dbraw/zinc/54/57/14/364545714.db2.gz DFCJWZDQMIGFLC-ZJUUUORDSA-N 1 0 214.309 0.574 10 0 BCAERO CC[C@@H](C(N)=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000246995632 364616108 /nfs/dbraw/zinc/61/61/08/364616108.db2.gz BGTNMOUEPSNYCE-UWVGGRQHSA-N 1 0 211.309 0.030 10 0 BCAERO [NH3+]CCC(=O)c1cc(O)ccc1NC=O ZINC000000895840 181369849 /nfs/dbraw/zinc/36/98/49/181369849.db2.gz CKAXPTWYSHDIBN-UHFFFAOYSA-N 1 0 208.217 0.492 10 0 endogenous,in-man BCAERO C[NH2+]C1CCN(Cc2nnnn2C(C)C)CC1 ZINC000573371576 364812957 /nfs/dbraw/zinc/81/29/57/364812957.db2.gz PZRAAUYAIUURTO-UHFFFAOYSA-N 1 0 238.339 0.438 10 0 BCAERO CCc1nnc(CN(C)C2(C[NH3+])CCC2)n1C ZINC000573371574 364813213 /nfs/dbraw/zinc/81/32/13/364813213.db2.gz PQIHEEJTUTZYRA-UHFFFAOYSA-N 1 0 237.351 0.691 10 0 BCAERO [NH3+]CCCC(=O)N(CCO)Cc1ccccc1 ZINC000037809297 181371414 /nfs/dbraw/zinc/37/14/14/181371414.db2.gz ZBILJKJIPZLXGU-UHFFFAOYSA-N 1 0 236.315 0.746 10 0 BCAERO [NH3+]CCCC(=O)N[C@@H]1CCC[C@H](O)C1 ZINC000037001087 181372533 /nfs/dbraw/zinc/37/25/33/181372533.db2.gz POBABAUBBJBGHH-BDAKNGLRSA-N 1 0 200.282 0.145 10 0 BCAERO [NH3+]CCCCCNC(=O)c1ccncc1 ZINC000070626778 181375474 /nfs/dbraw/zinc/37/54/74/181375474.db2.gz PJQBHXNJWSKMBI-UHFFFAOYSA-N 1 0 207.277 0.940 10 0 BCAERO COCCN(CC[NH3+])C(=O)[C@@H](C)C(C)C ZINC000124282112 541424472 /nfs/dbraw/zinc/42/44/72/541424472.db2.gz LYHCMZHFOKDAGF-JTQLQIEISA-N 1 0 216.325 0.712 10 0 BCAERO CC(C)(C)C(=O)N1CCC[C@]([NH3+])(CO)C1 ZINC000669384856 541438388 /nfs/dbraw/zinc/43/83/88/541438388.db2.gz KFYUGPWIIMRACA-LLVKDONJSA-N 1 0 214.309 0.345 10 0 BCAERO Cn1nnnc1N[C@H](C[NH3+])C1CCCCC1 ZINC000168673584 364985200 /nfs/dbraw/zinc/98/52/00/364985200.db2.gz STPLXSBCQOIIMU-SECBINFHSA-N 1 0 224.312 0.530 10 0 BCAERO CC(C)[C@@H](C)C(=O)N[C@@]1(CO)CCC[NH2+]C1 ZINC000669385131 541438509 /nfs/dbraw/zinc/43/85/09/541438509.db2.gz ZLXPZGYDQIWPSU-PWSUYJOCSA-N 1 0 228.336 0.509 10 0 BCAERO CC(C)[C@H](C)C(=O)N[C@@]1(CO)CCC[NH2+]C1 ZINC000669385130 541438543 /nfs/dbraw/zinc/43/85/43/541438543.db2.gz ZLXPZGYDQIWPSU-JQWIXIFHSA-N 1 0 228.336 0.509 10 0 BCAERO C[NH2+]C1(CNC(=O)NC(C)(C)C)CCOCC1 ZINC000675053840 541433289 /nfs/dbraw/zinc/43/32/89/541433289.db2.gz NNHRSEMLVYDGNG-UHFFFAOYSA-N 1 0 243.351 0.853 10 0 BCAERO C[C@@H]1C[C@@H](c2cnn(CCO)c2N)CC[NH2+]1 ZINC000675053899 541433351 /nfs/dbraw/zinc/43/33/51/541433351.db2.gz AJOJSJVJORPYFN-BDAKNGLRSA-N 1 0 224.308 0.313 10 0 BCAERO CCS(=O)(=O)[C@H]1CCC[C@H]([NH2+]C)C1 ZINC000082818527 541435061 /nfs/dbraw/zinc/43/50/61/541435061.db2.gz UJYNFQLJVPRVQQ-IUCAKERBSA-N 1 0 205.323 0.952 10 0 BCAERO Cc1nc2c(cnn2C2CC2)c(NN)[nH+]1 ZINC000669377085 541436586 /nfs/dbraw/zinc/43/65/86/541436586.db2.gz FZEVWUFZOQLHFT-UHFFFAOYSA-N 1 0 204.237 0.755 10 0 BCAERO COCCC(=O)N1CCCCC[C@@H]1C[NH3+] ZINC000125051110 541450806 /nfs/dbraw/zinc/45/08/06/541450806.db2.gz CSVPTJQAYHKZMT-SNVBAGLBSA-N 1 0 214.309 0.753 10 0 BCAERO [NH3+]CCN1CCO[C@@H](c2ccccn2)C1 ZINC000019729984 181391437 /nfs/dbraw/zinc/39/14/37/181391437.db2.gz PXPSDAXAJOJYSD-LLVKDONJSA-N 1 0 207.277 0.414 10 0 BCAERO [NH3+]CCCS(=O)(=O)N1CCCCCCC1 ZINC000048276861 181385031 /nfs/dbraw/zinc/38/50/31/181385031.db2.gz KTUCQLHCNKIXSW-UHFFFAOYSA-N 1 0 234.365 0.931 10 0 BCAERO [NH3+]CCCc1nc(-c2ncccn2)n[nH]1 ZINC000061844176 181388049 /nfs/dbraw/zinc/38/80/49/181388049.db2.gz NOIRFGWHDRXZKC-UHFFFAOYSA-N 1 0 204.237 0.153 10 0 BCAERO [NH3+]CCCc1nnc([C@@H]2CCCOC2)o1 ZINC000062243772 181388512 /nfs/dbraw/zinc/38/85/12/181388512.db2.gz UCSKKYOVCSELAB-MRVPVSSYSA-N 1 0 211.265 0.855 10 0 BCAERO [NH3+]CCCc1nnc(-c2ccc(=O)[nH]n2)o1 ZINC000083351038 181388529 /nfs/dbraw/zinc/38/85/29/181388529.db2.gz SYHLCSXCLMDLPJ-UHFFFAOYSA-N 1 0 221.220 0.124 10 0 BCAERO [NH3+]CCN(C1CC1)[C@@H]1CCCCNC1=O ZINC000041057027 181390938 /nfs/dbraw/zinc/39/09/38/181390938.db2.gz OTZVVZNAFBGLSF-SNVBAGLBSA-N 1 0 211.309 0.078 10 0 BCAERO [NH3+]CCNCc1c[nH]nc1-c1cccnc1 ZINC000037712995 181396893 /nfs/dbraw/zinc/39/68/93/181396893.db2.gz OOFZOCLOTHIOKF-UHFFFAOYSA-N 1 0 217.276 0.520 10 0 BCAERO [NH3+]CCOCCOCc1ccc2c(c1)OCO2 ZINC000074528769 181399017 /nfs/dbraw/zinc/39/90/17/181399017.db2.gz KZODAQJLCYEOGY-UHFFFAOYSA-N 1 0 239.271 0.907 10 0 BCAERO [NH3+]CCOCCNC(=O)C1(c2ccccc2)CC1 ZINC000104311148 181399420 /nfs/dbraw/zinc/39/94/20/181399420.db2.gz WBAXNDKDRVOWPS-UHFFFAOYSA-N 1 0 248.326 0.810 10 0 BCAERO [NH3+]CCS(=O)(=O)NCc1cccc(Cl)c1 ZINC000053155820 181401397 /nfs/dbraw/zinc/40/13/97/181401397.db2.gz CETVTSXUBAKSPX-UHFFFAOYSA-N 1 0 248.735 0.718 10 0 BCAERO NC(=O)c1cccc(CSCC[NH3+])c1 ZINC000019436192 181401435 /nfs/dbraw/zinc/40/14/35/181401435.db2.gz OTPBFDNTRUPSIJ-UHFFFAOYSA-N 1 0 210.302 0.977 10 0 BCAERO [NH3+]CCC1CCN(c2ccc3nncn3n2)CC1 ZINC000574760750 365138396 /nfs/dbraw/zinc/13/83/96/365138396.db2.gz ZANPCZUBCJZKGC-UHFFFAOYSA-N 1 0 246.318 0.690 10 0 BCAERO C[C@@H]1COC[C@@H](C)N1C(=O)CC[NH2+]C1CC1 ZINC000574770235 365141282 /nfs/dbraw/zinc/14/12/82/365141282.db2.gz HOGDHMOYPKHWRQ-NXEZZACHSA-N 1 0 226.320 0.764 10 0 BCAERO [NH3+]CCc1cnc(C2CCOCC2)nc1 ZINC000083719933 181413166 /nfs/dbraw/zinc/41/31/66/181413166.db2.gz KYIPKOAVMZRNNC-UHFFFAOYSA-N 1 0 207.277 0.872 10 0 BCAERO [NH3+]CCn1nnnc1-c1ccccc1Cl ZINC000050438885 181416178 /nfs/dbraw/zinc/41/61/78/181416178.db2.gz NMCHUKLBAVFWQO-UHFFFAOYSA-N 1 0 223.667 0.952 10 0 BCAERO [NH3+]C[C@@H](c1ccco1)N1CCC(O)CC1 ZINC000020178916 181426146 /nfs/dbraw/zinc/42/61/46/181426146.db2.gz VKOQUGDHZXADIC-JTQLQIEISA-N 1 0 210.277 0.736 10 0 BCAERO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)c1ccnnc1 ZINC000229200646 181428533 /nfs/dbraw/zinc/42/85/33/181428533.db2.gz IEEYZXRPCGDLQK-GXSJLCMTSA-N 1 0 234.303 0.724 10 0 BCAERO [NH3+]C[C@@H]1CCCCN1C(=O)[C@H]1CCCCO1 ZINC000050970932 181427363 /nfs/dbraw/zinc/42/73/63/181427363.db2.gz OAVVCKFAXFBTSD-WDEREUQCSA-N 1 0 226.320 0.895 10 0 BCAERO [NH3+]C[C@@H]1CCCCN1C(=O)C[C@@H]1CCOC1 ZINC000336524823 181427737 /nfs/dbraw/zinc/42/77/37/181427737.db2.gz HLWQFBCGSSGHEB-QWRGUYRKSA-N 1 0 226.320 0.753 10 0 BCAERO C[C@@H]1C[C@H]([NH2+]C2CCN(CCO)CC2)CS1 ZINC000399082638 365395233 /nfs/dbraw/zinc/39/52/33/365395233.db2.gz SLUPWCNEJDOSEM-PWSUYJOCSA-N 1 0 244.404 0.927 10 0 BCAERO COCCC(=O)N1CC[C@@]2(C[NH3+])CCC[C@@H]12 ZINC000675056279 541462327 /nfs/dbraw/zinc/46/23/27/541462327.db2.gz NVGYILUSRGVTAS-ZYHUDNBSSA-N 1 0 226.320 0.753 10 0 BCAERO COC(=O)c1cccn(CC[NH2+]C2CC2)c1=O ZINC000675060477 541463475 /nfs/dbraw/zinc/46/34/75/541463475.db2.gz ZGTQYTPKYVXTBG-UHFFFAOYSA-N 1 0 236.271 0.387 10 0 BCAERO c1nnn([C@H]2CC[NH2+]C2)c1-c1cccnc1 ZINC000685952061 541497237 /nfs/dbraw/zinc/49/72/37/541497237.db2.gz RNHZWRUBHNYVAW-JTQLQIEISA-N 1 0 215.260 0.875 10 0 BCAERO C[NH+](C)C[C@@H](NC(N)=O)c1ccccc1 ZINC000194623016 541512973 /nfs/dbraw/zinc/51/29/73/541512973.db2.gz BUPKPFAOFCEPSW-SNVBAGLBSA-N 1 0 207.277 0.958 10 0 BCAERO C[NH+](C)C[C@H](NC(N)=O)c1ccccc1 ZINC000194622998 541513036 /nfs/dbraw/zinc/51/30/36/541513036.db2.gz BUPKPFAOFCEPSW-JTQLQIEISA-N 1 0 207.277 0.958 10 0 BCAERO CCc1nnc(CN2C[C@@H](C)[NH2+][C@H](C)C2)n1C ZINC000580893007 367200749 /nfs/dbraw/zinc/20/07/49/367200749.db2.gz AZDSQOGRSUWPAC-NXEZZACHSA-N 1 0 237.351 0.560 10 0 BCAERO O=C1NC[C@H](C[NH2+][C@H]2CCC[C@@H]2CCO)O1 ZINC000381533745 367425986 /nfs/dbraw/zinc/42/59/86/367425986.db2.gz DJMUOHJPDPHNAB-UTLUCORTSA-N 1 0 228.292 0.236 10 0 BCAERO C[C@H]([NH3+])[C@H](C)Nc1nnnn1-c1ccccc1 ZINC000381414667 367397643 /nfs/dbraw/zinc/39/76/43/367397643.db2.gz YSSXGVUNGYTYAX-IUCAKERBSA-N 1 0 232.291 0.232 10 0 BCAERO CCCn1ncnc1CN1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000381412924 367397960 /nfs/dbraw/zinc/39/79/60/367397960.db2.gz ZAWHXYUSRWNEIE-TUAOUCFPSA-N 1 0 249.362 0.857 10 0 BCAERO C[C@@H]([NH3+])[C@@H](C)Nc1ncccc1S(C)(=O)=O ZINC000381603113 367436597 /nfs/dbraw/zinc/43/65/97/367436597.db2.gz NNNPJWLZVQLQQV-HTQZYQBOSA-N 1 0 243.332 0.633 10 0 BCAERO NC(=O)c1cc(N[C@H]2CC[C@@H](C[NH3+])C2)ccn1 ZINC000382478047 367529035 /nfs/dbraw/zinc/52/90/35/367529035.db2.gz KTTYQEJYIYNCMQ-BDAKNGLRSA-N 1 0 234.303 0.142 10 0 BCAERO CC[N@H+](C)C[C@H](O)CN1C[C@H]2CCC[C@@H]21 ZINC000581555895 367587569 /nfs/dbraw/zinc/58/75/69/367587569.db2.gz AOIRLPBHJNTGAL-WOPDTQHZSA-N 1 0 212.337 0.783 10 0 BCAERO c1ccc(CN2CCO[C@@H]3C[NH2+]C[C@@H]32)nc1 ZINC000581610423 367633503 /nfs/dbraw/zinc/63/35/03/367633503.db2.gz NDQXTTGAWWESIU-NWDGAFQWSA-N 1 0 219.288 0.254 10 0 BCAERO COC(=O)CC[N@@H+]1CCC[C@H](O)[C@H]1C ZINC000384735228 367723391 /nfs/dbraw/zinc/72/33/91/367723391.db2.gz KPZQGUSMVGKCEQ-BDAKNGLRSA-N 1 0 201.266 0.395 10 0 BCAERO CC[C@H](C)NC(=O)C[N@@H+]1CCC[C@H](O)[C@@H]1C ZINC000385010476 367772697 /nfs/dbraw/zinc/77/26/97/367772697.db2.gz NFRBVCWHJUIMMJ-DCAQKATOSA-N 1 0 228.336 0.746 10 0 BCAERO CCOc1cc(N(C)C2CC([NH3+])C2)ncn1 ZINC000384901973 367753066 /nfs/dbraw/zinc/75/30/66/367753066.db2.gz OBZLMNIFJAEDAZ-UHFFFAOYSA-N 1 0 222.292 0.801 10 0 BCAERO C[C@@H]1[C@@H](O)CCC[N@@H+]1CCCCCO ZINC000384901883 367753284 /nfs/dbraw/zinc/75/32/84/367753284.db2.gz OAZQYIVKXUJGHM-MNOVXSKESA-N 1 0 201.310 0.994 10 0 BCAERO [NH3+]C[C@@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000020182673 181430422 /nfs/dbraw/zinc/43/04/22/181430422.db2.gz DWVYUCBCWAFZEU-QMMMGPOBSA-N 1 0 246.357 0.860 10 0 BCAERO [NH3+]C[C@@H]1CCCN1c1nnnn1-c1ccccc1 ZINC000053663254 181430546 /nfs/dbraw/zinc/43/05/46/181430546.db2.gz RIJVDPKLOSBVBA-NSHDSACASA-N 1 0 244.302 0.590 10 0 BCAERO [NH3+]C[C@@H]1CCCN1CC(=O)N1CCCCC1 ZINC000082595323 181430564 /nfs/dbraw/zinc/43/05/64/181430564.db2.gz UHUGNEWOUHBNSE-NSHDSACASA-N 1 0 225.336 0.422 10 0 BCAERO C[C@@H]1C[C@H]([NH3+])CN1c1ccc(C(=O)N(C)C)cn1 ZINC000385080684 367785520 /nfs/dbraw/zinc/78/55/20/367785520.db2.gz GQKYWFKUJHUKGI-KOLCDFICSA-N 1 0 248.330 0.709 10 0 BCAERO C[C@@H]1CN(c2ccnc(N(C)C)n2)C[C@@]1(C)C[NH3+] ZINC000385636421 367849732 /nfs/dbraw/zinc/84/97/32/367849732.db2.gz UCFUPWAIPALCMS-ZWNOBZJWSA-N 1 0 249.362 0.964 10 0 BCAERO C[C@H](CO)S[C@H]1CC2(CC[C@H]1[NH3+])OCCO2 ZINC000252749604 367908488 /nfs/dbraw/zinc/90/84/88/367908488.db2.gz FEXNZPPUMZDZNS-BBBLOLIVSA-N 1 0 247.360 0.723 10 0 BCAERO CCc1nsc(N2CCN(C)C[C@@H]2C[NH3+])n1 ZINC000087613842 367916291 /nfs/dbraw/zinc/91/62/91/367916291.db2.gz XLFSXGRROKRXES-QMMMGPOBSA-N 1 0 241.364 0.180 10 0 BCAERO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@H](CCO)C2)C1 ZINC000386224696 367934132 /nfs/dbraw/zinc/93/41/32/367934132.db2.gz KRBXCRAFOQFVSS-WDEREUQCSA-N 1 0 226.320 0.169 10 0 BCAERO COC(=O)[C@@H]1CCCN1C(=O)C1CC[NH2+]CC1 ZINC000037804190 367941225 /nfs/dbraw/zinc/94/12/25/367941225.db2.gz ORYOARCWZNHIOC-JTQLQIEISA-N 1 0 240.303 0.150 10 0 BCAERO CCCNC(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000087638886 367945197 /nfs/dbraw/zinc/94/51/97/367945197.db2.gz BVTIFDLZAJFUJH-UHFFFAOYSA-N 1 0 213.325 0.196 10 0 BCAERO COC(=O)[C@@H](C)NC[C@H]1CCC[NH2+]C1 ZINC000087646905 367948871 /nfs/dbraw/zinc/94/88/71/367948871.db2.gz QDWULVMCNLQQAX-BDAKNGLRSA-N 1 0 200.282 0.137 10 0 BCAERO Cc1cnc(N2C[C@@H](C)[C@H]([NH3+])C2)nc1C ZINC000386476019 367978977 /nfs/dbraw/zinc/97/89/77/367978977.db2.gz PQKGIFHLJDUTSI-PSASIEDQSA-N 1 0 206.293 0.877 10 0 BCAERO [NH3+][C@@H]1CCC[C@@H]1O[C@H]1CCS(=O)(=O)C1 ZINC000252871727 368165534 /nfs/dbraw/zinc/16/55/34/368165534.db2.gz OVBJWPLDUWFDPK-YIZRAAEISA-N 1 0 219.306 0.070 10 0 BCAERO C[C@@H]1C[NH2+]CCCN(CC[S@](C)=O)C1 ZINC000252932837 368168568 /nfs/dbraw/zinc/16/85/68/368168568.db2.gz CJQUGCOSVXCBLG-YGRLFVJLSA-N 1 0 218.366 0.296 10 0 BCAERO COCCN(C)c1ncc(C[NH3+])s1 ZINC000054898341 368143322 /nfs/dbraw/zinc/14/33/22/368143322.db2.gz MPEHCRBHBRQQDA-UHFFFAOYSA-N 1 0 201.295 0.684 10 0 BCAERO CC[C@H]([NH3+])C(=O)Nc1ccnc(Cl)n1 ZINC000161410265 368227539 /nfs/dbraw/zinc/22/75/39/368227539.db2.gz IFTCQEHBAWCAEF-YFKPBYRVSA-N 1 0 214.656 0.806 10 0 BCAERO COc1ccc2c(c1)NC(=O)[C@]21CC[NH2+]C1 ZINC000213621082 368358644 /nfs/dbraw/zinc/35/86/44/368358644.db2.gz FNWRXTNJCPOCDP-LBPRGKRZSA-N 1 0 218.256 0.878 10 0 BCAERO CC(C)(C)OC(=O)[C@@]12C[NH2+]C[C@H]1COC2 ZINC000167194473 368395035 /nfs/dbraw/zinc/39/50/35/368395035.db2.gz FDBGUEUAWVKSRM-GZMMTYOYSA-N 1 0 213.277 0.564 10 0 BCAERO CC(C)(C)OC(=O)[C@@]12C[NH2+]C[C@@H]1COC2 ZINC000167194254 368395443 /nfs/dbraw/zinc/39/54/43/368395443.db2.gz FDBGUEUAWVKSRM-LDYMZIIASA-N 1 0 213.277 0.564 10 0 BCAERO COc1ccc(NC2=[NH+]CCN2)c(N)c1 ZINC000225715748 368402807 /nfs/dbraw/zinc/40/28/07/368402807.db2.gz WMYAYELHIMDQSY-UHFFFAOYSA-N 1 0 206.249 0.649 10 0 BCAERO C[C@H]1CCN(S(=O)(=O)CC[NH3+])C[C@H]1C ZINC000253081613 368473475 /nfs/dbraw/zinc/47/34/75/368473475.db2.gz WLBAFKGGFFUZDF-DTWKUNHWSA-N 1 0 220.338 0.253 10 0 BCAERO C[C@@H]1C[C@H](C)[C@@H](C)[N@H+](C[C@H](N)C(N)=O)C1 ZINC000253107767 368491017 /nfs/dbraw/zinc/49/10/17/368491017.db2.gz VOFKIGGBFHALLK-RGOKHQFPSA-N 1 0 213.325 0.165 10 0 BCAERO O=C1Cc2ccccc2N1[C@H]1CC[NH2+]C1 ZINC000108349904 368572016 /nfs/dbraw/zinc/57/20/16/368572016.db2.gz FDYDGTDZUXFSHV-JTQLQIEISA-N 1 0 202.257 0.938 10 0 BCAERO COc1ncccc1C(=O)N1CCC[C@H]1C[NH3+] ZINC000111366264 368857172 /nfs/dbraw/zinc/85/71/72/368857172.db2.gz QLBKSBORLFLXPZ-VIFPVBQESA-N 1 0 235.287 0.654 10 0 BCAERO COC[C@H](NC(=O)[C@@H]1CC[C@H]([NH3+])C1)C(C)C ZINC000085013924 368861904 /nfs/dbraw/zinc/86/19/04/368861904.db2.gz KEYSCMURAHTZNK-VWYCJHECSA-N 1 0 228.336 0.901 10 0 BCAERO Cc1cc(NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)n[nH]1 ZINC000085013280 368862013 /nfs/dbraw/zinc/86/20/13/368862013.db2.gz NLFFDNITALEPPD-HTQZYQBOSA-N 1 0 208.265 0.784 10 0 BCAERO COc1cc(NCC2CC[NH2+]CC2)ncn1 ZINC000085481270 368865961 /nfs/dbraw/zinc/86/59/61/368865961.db2.gz KBDYEULWZJLQAN-UHFFFAOYSA-N 1 0 222.292 0.897 10 0 BCAERO CC[NH2+]CCCNc1cc(OC)ncn1 ZINC000085481245 368865981 /nfs/dbraw/zinc/86/59/81/368865981.db2.gz GMGOKUQHBXGPRP-UHFFFAOYSA-N 1 0 210.281 0.897 10 0 BCAERO C[C@@H](Cn1ccnc1)NC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000111264277 368853904 /nfs/dbraw/zinc/85/39/04/368853904.db2.gz OTHGKFKMUMBGGH-OUAUKWLOSA-N 1 0 236.319 0.243 10 0 BCAERO CCc1nn(C)cc1C[NH2+][C@@H]1CCOC[C@@H]1O ZINC000623766759 369032035 /nfs/dbraw/zinc/03/20/35/369032035.db2.gz LPXLJHXASHRHRB-NEPJUHHUSA-N 1 0 239.319 0.222 10 0 BCAERO [NH3+]C[C@@H]1CN(CCCc2ccccc2)C(=O)CO1 ZINC000011884569 181437645 /nfs/dbraw/zinc/43/76/45/181437645.db2.gz JOODBJBHUFOOSH-CYBMUJFWSA-N 1 0 248.326 0.805 10 0 BCAERO C[C@@H]1CN(CC(=O)N2CCCC2)C[C@@H]1C[NH3+] ZINC000631838984 369123374 /nfs/dbraw/zinc/12/33/74/369123374.db2.gz XZSSSQYDWUNANU-MNOVXSKESA-N 1 0 225.336 0.135 10 0 BCAERO [NH3+]C[C@H]1CCCCN1S(=O)(=O)C(F)F ZINC000044555860 181458319 /nfs/dbraw/zinc/45/83/19/181458319.db2.gz QSYHIKZGYIAMQJ-ZCFIWIBFSA-N 1 0 228.264 0.352 10 0 BCAERO [NH3+]CCN1CCCO[C@H](c2ccccn2)C1 ZINC000616681686 369110903 /nfs/dbraw/zinc/11/09/03/369110903.db2.gz SUAVUTHKJYGBPP-LBPRGKRZSA-N 1 0 221.304 0.804 10 0 BCAERO CO[C@@H]1CN(CC[NH3+])c2ccccc2N1 ZINC000616691527 369113559 /nfs/dbraw/zinc/11/35/59/369113559.db2.gz DHUNJUYZCJUTSL-LLVKDONJSA-N 1 0 207.277 0.850 10 0 BCAERO CCOC(=O)[C@@H]1CN(CC[NH3+])c2ccccc2N1 ZINC000616692023 369114347 /nfs/dbraw/zinc/11/43/47/369114347.db2.gz ISFXPAKZWSEONH-NSHDSACASA-N 1 0 249.314 0.809 10 0 BCAERO [NH3+]C[C@H]1CC[C@@H](C(=O)N2CCCCC2)O1 ZINC000087045556 181466120 /nfs/dbraw/zinc/46/61/20/181466120.db2.gz XEQXIIGMDOBVKE-ZJUUUORDSA-N 1 0 212.293 0.505 10 0 BCAERO [NH3+]C[C@H]1CCCN(C(=O)NC2CCC2)C1 ZINC000082641721 181459165 /nfs/dbraw/zinc/45/91/65/181459165.db2.gz JGNGPXVVHPZHRT-SECBINFHSA-N 1 0 211.309 0.919 10 0 BCAERO [NH3+]C[C@H]1CCN(C(=O)[C@@H]2CCCOC2)C1 ZINC000054769180 181463244 /nfs/dbraw/zinc/46/32/44/181463244.db2.gz JEVNXXLMEHCYFT-NXEZZACHSA-N 1 0 212.293 0.220 10 0 BCAERO COc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2O)cn1 ZINC000623767021 369344335 /nfs/dbraw/zinc/34/43/35/369344335.db2.gz OXIAHLGBDPYRBB-MNOVXSKESA-N 1 0 238.287 0.330 10 0 BCAERO CC[C@H](C)NC(=O)CN1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631843364 369374248 /nfs/dbraw/zinc/37/42/48/369374248.db2.gz MVVCZWBBKKFDMO-DCAQKATOSA-N 1 0 227.352 0.428 10 0 BCAERO CC[C@H](C)NC(=O)CN1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631843367 369375151 /nfs/dbraw/zinc/37/51/51/369375151.db2.gz MVVCZWBBKKFDMO-VWYCJHECSA-N 1 0 227.352 0.428 10 0 BCAERO CCn1cncc1C[NH2+][C@H]1CCOC[C@H]1O ZINC000623767248 369375671 /nfs/dbraw/zinc/37/56/71/369375671.db2.gz SLIWYKPBKPDRMH-WDEREUQCSA-N 1 0 225.292 0.142 10 0 BCAERO Cc1occc1C[NH2+][C@H]1CCOC[C@H]1O ZINC000623767580 369397966 /nfs/dbraw/zinc/39/79/66/369397966.db2.gz YDLJCTHHQYDELH-WDEREUQCSA-N 1 0 211.261 0.827 10 0 BCAERO CCOCCN1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC000404229358 369424395 /nfs/dbraw/zinc/42/43/95/369424395.db2.gz PGOKVLRVCDQMBH-QWRGUYRKSA-N 1 0 214.309 0.086 10 0 BCAERO [NH3+]Cc1ccc(C(=O)N2CCC(=O)CC2)cc1 ZINC000020284035 181481367 /nfs/dbraw/zinc/48/13/67/181481367.db2.gz ISFDNDBONIXFOJ-UHFFFAOYSA-N 1 0 232.283 0.950 10 0 BCAERO [NH3+]Cc1ccc(Cn2ncccc2=O)cc1 ZINC000061401846 181483392 /nfs/dbraw/zinc/48/33/92/181483392.db2.gz VCVTWKLEYSPLFC-UHFFFAOYSA-N 1 0 215.256 0.750 10 0 BCAERO CCOC(=O)c1cc(C[NH3+])nc(OC)c1 ZINC000117982651 370987472 /nfs/dbraw/zinc/98/74/72/370987472.db2.gz BVMRNNGKXUEVJC-UHFFFAOYSA-N 1 0 210.233 0.726 10 0 BCAERO [NH3+]Cc1ccnc(N2CCC[C@@H]2CO)c1 ZINC000042432661 181490320 /nfs/dbraw/zinc/49/03/20/181490320.db2.gz UTPMFKTXUXAGCN-SNVBAGLBSA-N 1 0 207.277 0.501 10 0 BCAERO C[C@@H]1CN(Cc2cnc(N)s2)C[C@@H]1[NH3+] ZINC000307308020 369999147 /nfs/dbraw/zinc/99/91/47/369999147.db2.gz ZTHHTIFWNWJSRE-SVRRBLITSA-N 1 0 212.322 0.504 10 0 BCAERO COC(=O)C(C)(C)CNC(=O)[C@@]1(C)CCC[NH2+]1 ZINC000310089510 370297723 /nfs/dbraw/zinc/29/77/23/370297723.db2.gz CYWFDNITKUTETH-GFCCVEGCSA-N 1 0 242.319 0.444 10 0 BCAERO [NH3+][C@@H]1CC[C@H]2CN(C(=O)Cc3ccncc3)C[C@H]12 ZINC000310903166 370372065 /nfs/dbraw/zinc/37/20/65/370372065.db2.gz BKNCKNSDUCGSRB-RWMBFGLXSA-N 1 0 245.326 0.820 10 0 BCAERO O=C(NCC[C@@H]1CC1(F)F)[C@H]1CC[NH2+]C1 ZINC000621670449 370419207 /nfs/dbraw/zinc/41/92/07/370419207.db2.gz NWQHIFFWYBTJMT-JGVFFNPUSA-N 1 0 218.247 0.757 10 0 BCAERO CCCCOC[C@@H](O)C[NH2+]C[C@H](O)C1CCC1 ZINC000315802789 326342904 /nfs/dbraw/zinc/34/29/04/326342904.db2.gz WIBKZLCYDDQTIQ-STQMWFEESA-N 1 0 245.363 0.915 10 0 BCAERO Nc1cc(CN2CCOCC2)cc(N)[nH+]1 ZINC000114604449 370580115 /nfs/dbraw/zinc/58/01/15/370580115.db2.gz GNPPQMQZBUBVOA-UHFFFAOYSA-N 1 0 208.265 0.078 10 0 BCAERO C[C@H](O)CCNC(=O)CC[C@H]1CCC[NH2+]C1 ZINC000082995821 371058397 /nfs/dbraw/zinc/05/83/97/371058397.db2.gz CREOWYABIAEDHX-WDEREUQCSA-N 1 0 228.336 0.653 10 0 BCAERO CC(C)n1nccc1C[NH2+][C@H]1CCOC[C@H]1O ZINC000623766299 371086681 /nfs/dbraw/zinc/08/66/81/371086681.db2.gz DDQGMGKCHHSNPR-NWDGAFQWSA-N 1 0 239.319 0.703 10 0 BCAERO CCOC(=O)C[C@@H](O)C[N@@H+]1CC[C@H](CCO)C1 ZINC000123625872 371090741 /nfs/dbraw/zinc/09/07/41/371090741.db2.gz RPUVCQUPNCWPPU-GHMZBOCLSA-N 1 0 245.319 0.005 10 0 BCAERO NS(=O)(=O)c1cnccc1-[n+]1ccccc1 ZINC000072106161 181532740 /nfs/dbraw/zinc/53/27/40/181532740.db2.gz WKLCIRADCCJIKY-UHFFFAOYSA-N 1 0 236.276 0.006 10 0 BCAERO COC[C@H](C)[NH2+]CC(=O)N1CCCC1 ZINC000020041841 371221858 /nfs/dbraw/zinc/22/18/58/371221858.db2.gz WXFHPAHRLNMPEV-VIFPVBQESA-N 1 0 200.282 0.233 10 0 BCAERO [NH3+][C@@H]1CCCCN1S(=O)(=O)N1CCCCC1 ZINC000020256089 181573012 /nfs/dbraw/zinc/57/30/12/181573012.db2.gz ZINUAMJUNRBFJZ-JTQLQIEISA-N 1 0 247.364 0.488 10 0 BCAERO [NH3+][C@@H]1CCN(c2nnnn2-c2ccccc2)C1 ZINC000050244248 181589831 /nfs/dbraw/zinc/58/98/31/181589831.db2.gz AAQSOWUEOVIHSE-SECBINFHSA-N 1 0 230.275 0.200 10 0 BCAERO [NH3+][C@H]1CCCC[C@@H]1NC(=O)c1cc[nH]c(=O)c1 ZINC000185404269 181640996 /nfs/dbraw/zinc/64/09/96/181640996.db2.gz VKYKBFHUMGINSQ-UWVGGRQHSA-N 1 0 235.287 0.375 10 0 BCAERO [NH3+][C@H]1CCC[C@H](C(=O)N[C@H]2CCCC[C@@H]2O)C1 ZINC000227322231 181647357 /nfs/dbraw/zinc/64/73/57/181647357.db2.gz AAIRHZPDFCORJV-BJDJZHNGSA-N 1 0 240.347 0.924 10 0 BCAERO Cc1noc(C)c1C(=O)N1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC000252012365 259547135 /nfs/dbraw/zinc/54/71/35/259547135.db2.gz SVNHMMYMQDKDDZ-VHSXEESVSA-N 1 0 235.287 0.725 10 0 BCAERO O[C@H]1COCC[C@H]1[NH2+]C1Cc2ccccc2C1 ZINC000624235309 371422660 /nfs/dbraw/zinc/42/26/60/371422660.db2.gz IFAILAFEXRCLPM-KGLIPLIRSA-N 1 0 233.311 0.893 10 0 BCAERO C[C@@H]1C[C@H]([NH2+][C@H]2CCOC[C@H]2O)CN1C1CC1 ZINC000624237271 371425098 /nfs/dbraw/zinc/42/50/98/371425098.db2.gz TVUURINJQVKRPU-RSLMWUCJSA-N 1 0 240.347 0.351 10 0 BCAERO C[C@H]([NH2+][C@H]1CCOC[C@@H]1O)c1cccnc1 ZINC000624237192 371425128 /nfs/dbraw/zinc/42/51/28/371425128.db2.gz RKLPBSPYWYVGQP-DLOVCJGASA-N 1 0 222.288 0.882 10 0 BCAERO O[C@@H]1COCC[C@@H]1[NH2+]C1CCN(C2CC2)CC1 ZINC000624239745 371428934 /nfs/dbraw/zinc/42/89/34/371428934.db2.gz SLVOLXJMCKGYBS-QWHCGFSZSA-N 1 0 240.347 0.353 10 0 BCAERO O=C(C[C@@H]1CCC[NH2+]C1)NCc1ccc(=O)[nH]c1 ZINC000392670847 371434208 /nfs/dbraw/zinc/43/42/08/371434208.db2.gz MDCDOIHVLFNYKT-JTQLQIEISA-N 1 0 249.314 0.793 10 0 BCAERO Nc1cc[nH+]c(NC[C@H]2CCS(=O)(=O)C2)c1 ZINC000050602077 181764200 /nfs/dbraw/zinc/76/42/00/181764200.db2.gz GSWBNWRAQKSJDN-MRVPVSSYSA-N 1 0 241.316 0.510 10 0 BCAERO Cn1ncc2c1nc[nH+]c2N1CC=CCN1 ZINC000624416873 371505414 /nfs/dbraw/zinc/50/54/14/371505414.db2.gz BDFORZFSWMAKTD-UHFFFAOYSA-N 1 0 216.248 0.244 10 0 BCAERO Nc1c[nH+]ccc1NC1CCS(=O)(=O)CC1 ZINC000036331019 181769893 /nfs/dbraw/zinc/76/98/93/181769893.db2.gz YVAOPQQKTAZYTD-UHFFFAOYSA-N 1 0 241.316 0.653 10 0 BCAERO CNC(=O)CO[C@@H]1CCCCC[C@H]1[NH3+] ZINC000131149496 371564178 /nfs/dbraw/zinc/56/41/78/371564178.db2.gz GQTBIJFEOMLLJC-RKDXNWHRSA-N 1 0 200.282 0.409 10 0 BCAERO [NH2+]=C1NC[C@H](c2cncs2)N1C1CC1 ZINC000161836334 371570172 /nfs/dbraw/zinc/57/01/72/371570172.db2.gz OCFCDFKXCFHHAO-SSDOTTSWSA-N 1 0 208.290 0.977 10 0 BCAERO [NH2+]=C1NC[C@@H](c2nccs2)N1C1CC1 ZINC000161835904 371570835 /nfs/dbraw/zinc/57/08/35/371570835.db2.gz APFJAKFZXHVYOB-ZETCQYMHSA-N 1 0 208.290 0.977 10 0 BCAERO [NH3+][C@@H]1CCC[C@H]1O[C@@H]1CCS(=O)(=O)C1 ZINC000131346643 371594690 /nfs/dbraw/zinc/59/46/90/371594690.db2.gz OVBJWPLDUWFDPK-IWSPIJDZSA-N 1 0 219.306 0.070 10 0 BCAERO CC(C)C(=O)N1C[C@H](C)O[C@@H](C[NH3+])C1 ZINC000230058516 371642198 /nfs/dbraw/zinc/64/21/98/371642198.db2.gz CYGBVCRMRJKDEW-IUCAKERBSA-N 1 0 200.282 0.217 10 0 BCAERO O=S1(=O)CCCCN1C[C@H]1CC[NH2+]C1 ZINC000162653857 371741380 /nfs/dbraw/zinc/74/13/80/371741380.db2.gz PAHSRNDYVMAQEG-VIFPVBQESA-N 1 0 218.322 0.022 10 0 BCAERO CS(=O)(=O)N1CCC[C@@H](C[NH3+])CC1 ZINC000216219461 371721501 /nfs/dbraw/zinc/72/15/01/371721501.db2.gz VULTVKYGOFDTJA-MRVPVSSYSA-N 1 0 206.311 0.007 10 0 BCAERO CC[C@@H](C[NH3+])N1CCCCS1(=O)=O ZINC000162651260 371736785 /nfs/dbraw/zinc/73/67/85/371736785.db2.gz FMUVZAZOWYOBIQ-QMMMGPOBSA-N 1 0 206.311 0.149 10 0 BCAERO CNS(=O)(=O)c1c(C)csc1C[NH3+] ZINC000226515519 371686828 /nfs/dbraw/zinc/68/68/28/371686828.db2.gz GJLHOBLZZONUJA-UHFFFAOYSA-N 1 0 220.319 0.423 10 0 BCAERO Cn1nnnc1S[C@H]1CCCC[NH2+]C1 ZINC000132132130 371755561 /nfs/dbraw/zinc/75/55/61/371755561.db2.gz WGBQXWKVXFEAGL-ZETCQYMHSA-N 1 0 213.310 0.444 10 0 BCAERO C[C@H]1CC[NH2+][C@@H]1C(=O)NCC(F)(F)F ZINC000226896685 371755704 /nfs/dbraw/zinc/75/57/04/371755704.db2.gz LMXKPLPRIFJISW-WDSKDSINSA-N 1 0 210.199 0.663 10 0 BCAERO CO[C@H](C)CCC(=O)N1CCC[C@@H]1C[NH3+] ZINC000166794049 326435097 /nfs/dbraw/zinc/43/50/97/326435097.db2.gz YLJQBRJMCKRFLU-NXEZZACHSA-N 1 0 214.309 0.751 10 0 BCAERO C[C@@H](C(N)=S)[N@@H+]1C[C@@H](C)[C@H](N(C)C)C1 ZINC000227222835 371805555 /nfs/dbraw/zinc/80/55/55/371805555.db2.gz ACVVWLYSAMFYTF-HRDYMLBCSA-N 1 0 215.366 0.543 10 0 BCAERO C[C@H](CO)S[C@H]1CC2(CC[C@@H]1[NH3+])OCCO2 ZINC000162884006 371874884 /nfs/dbraw/zinc/87/48/84/371874884.db2.gz FEXNZPPUMZDZNS-UTLUCORTSA-N 1 0 247.360 0.723 10 0 BCAERO C[C@H](CO)S[C@@H]1CC2(CC[C@@H]1[NH3+])OCCO2 ZINC000162883761 371875726 /nfs/dbraw/zinc/87/57/26/371875726.db2.gz FEXNZPPUMZDZNS-KXUCPTDWSA-N 1 0 247.360 0.723 10 0 BCAERO C[C@@H](C(N)=O)[N@@H+]1CCS[C@@H](C)[C@@H]1C ZINC000132664088 371889414 /nfs/dbraw/zinc/88/94/14/371889414.db2.gz HJCBUCZEQDFKAF-FXQIFTODSA-N 1 0 202.323 0.686 10 0 BCAERO C[C@H](Cc1ccsc1)N1C[C@@H]([NH3+])C1=O ZINC000227622833 371906957 /nfs/dbraw/zinc/90/69/57/371906957.db2.gz GEGPBRWHSHGFFH-VXNVDRBHSA-N 1 0 210.302 0.849 10 0 BCAERO CC[C@@H]1CN([C@@H]2C[NH2+]C[C@@H]2O)CCS1 ZINC000133027337 371975016 /nfs/dbraw/zinc/97/50/16/371975016.db2.gz PBIXUZOJIXYKRJ-BBBLOLIVSA-N 1 0 216.350 0.147 10 0 BCAERO CC(C)C(=O)C[N@@H+]1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000228058482 371983457 /nfs/dbraw/zinc/98/34/57/371983457.db2.gz POAGLBGZRRSIJK-HBNTYKKESA-N 1 0 211.305 0.914 10 0 BCAERO CCOC(=O)[C@@H](CC)N1CC[C@@H]([NH+](C)C)C1 ZINC000228069949 371984936 /nfs/dbraw/zinc/98/49/36/371984936.db2.gz AMFMLZHGLBBNTJ-GHMZBOCLSA-N 1 0 228.336 0.964 10 0 BCAERO [NH3+][C@@H]1CCCC[C@H]1C(=O)NCC(F)F ZINC000133085160 371984945 /nfs/dbraw/zinc/98/49/45/371984945.db2.gz DWDHGPBIANEIRH-RNFRBKRXSA-N 1 0 206.236 0.885 10 0 BCAERO [NH3+]C[C@@]1(C2CCC2)CCS(=O)(=O)C1 ZINC000306147652 371988180 /nfs/dbraw/zinc/98/81/80/371988180.db2.gz ALJHXZQXLIOBBM-VIFPVBQESA-N 1 0 203.307 0.550 10 0 BCAERO O=C(N1CC[C@H]2CC[C@@H](C1)[NH2+]2)C(F)(F)F ZINC000132912198 371947513 /nfs/dbraw/zinc/94/75/13/371947513.db2.gz IZKFANZSFGSXGV-RQJHMYQMSA-N 1 0 222.210 0.902 10 0 BCAERO Cn1nnc(Br)c1[C@@H]1C[C@H]1C[NH3+] ZINC000306387733 372015118 /nfs/dbraw/zinc/01/51/18/372015118.db2.gz ODOCXGDNRSDDIT-CRCLSJGQSA-N 1 0 231.097 0.640 10 0 BCAERO CC1(C)CN([C@H](C[NH3+])CO)CCS1 ZINC000133280484 372017416 /nfs/dbraw/zinc/01/74/16/372017416.db2.gz PKVGQIGLRSYXTK-MRVPVSSYSA-N 1 0 204.339 0.133 10 0 BCAERO [NH3+][C@@H]1CC(=O)N(C[C@@H]2CCSC2)C1 ZINC000228602864 372054626 /nfs/dbraw/zinc/05/46/26/372054626.db2.gz NAGOYMVNAYPZAW-JGVFFNPUSA-N 1 0 200.307 0.299 10 0 BCAERO CCN[C@@]1(C(N)=O)CC[N@@H+]2CCCC[C@H]21 ZINC000228258855 372009112 /nfs/dbraw/zinc/00/91/12/372009112.db2.gz MUFJBHPGWAMDNL-ONGXEEELSA-N 1 0 211.309 0.078 10 0 BCAERO C[C@H](CNc1cccc(N)[nH+]1)[S@@](C)=O ZINC000228674519 372067234 /nfs/dbraw/zinc/06/72/34/372067234.db2.gz ZWEQBWUMNTXEDF-NXSYQRQQSA-N 1 0 213.306 0.843 10 0 BCAERO CC(C)[C@](C)(O)C[N@@H+]1CCC[C@@H](O)C1 ZINC000228783373 372080316 /nfs/dbraw/zinc/08/03/16/372080316.db2.gz NQTXRHBFVMXIIJ-GHMZBOCLSA-N 1 0 201.310 0.850 10 0 BCAERO CC(C)[C@@](C)(O)C[N@@H+]1CCC[C@@H](O)C1 ZINC000228783360 372080906 /nfs/dbraw/zinc/08/09/06/372080906.db2.gz NQTXRHBFVMXIIJ-MNOVXSKESA-N 1 0 201.310 0.850 10 0 BCAERO C[C@@H]1CN(S(C)(=O)=O)[C@@H](C)[C@H](C)[NH2+]1 ZINC000404338437 372082186 /nfs/dbraw/zinc/08/21/86/372082186.db2.gz DAGPSVCKGHHQRV-CSMHCCOUSA-N 1 0 206.311 0.017 10 0 BCAERO Cc1cc(C[NH+](C)C)ccc1S(N)(=O)=O ZINC000133938165 372136523 /nfs/dbraw/zinc/13/65/23/372136523.db2.gz RYCZKGIOFGDGRO-UHFFFAOYSA-N 1 0 228.317 0.704 10 0 BCAERO [NH3+]C1CN(Cc2ccc(Br)cn2)C1 ZINC000133996790 372147115 /nfs/dbraw/zinc/14/71/15/372147115.db2.gz CWPBSZIOTAYRDL-UHFFFAOYSA-N 1 0 242.120 0.987 10 0 BCAERO [NH3+][C@H]1CCN(C[C@H]2CSCCS2)C1=O ZINC000229613850 372173073 /nfs/dbraw/zinc/17/30/73/372173073.db2.gz RVPZZHRNYOQUTR-YUMQZZPRSA-N 1 0 232.374 0.395 10 0 BCAERO [NH3+][C@@]1(CCO)CCO[C@H](C(F)(F)F)C1 ZINC000307609750 372130435 /nfs/dbraw/zinc/13/04/35/372130435.db2.gz DYYYRVNKWHCEQE-BQBZGAKWSA-N 1 0 213.199 0.808 10 0 BCAERO C[C@H](CNc1cccnc1N)[S@@](C)=O ZINC000229715652 372184511 /nfs/dbraw/zinc/18/45/11/372184511.db2.gz DIOLVXCTVXTCMK-NXSYQRQQSA-N 1 0 213.306 0.843 10 0 BCAERO O=c1c2c(ncn1Cc1ccccc1)C[NH2+]CC2 ZINC000219067879 372188041 /nfs/dbraw/zinc/18/80/41/372188041.db2.gz QTDFZDTWRYZIFU-UHFFFAOYSA-N 1 0 241.294 0.937 10 0 BCAERO O=C(CC[C@@H]1CCCC[NH2+]1)NC[C@@H](O)C1CC1 ZINC000071308385 181922393 /nfs/dbraw/zinc/92/23/93/181922393.db2.gz IDDHWZKPVCQXLQ-NWDGAFQWSA-N 1 0 240.347 0.796 10 0 BCAERO Cc1nccnc1CN1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000631827073 372606487 /nfs/dbraw/zinc/60/64/87/372606487.db2.gz DSGZFECYFDUHMP-SCZZXKLOSA-N 1 0 206.293 0.564 10 0 BCAERO CCCn1ncnc1CN1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631838056 372630825 /nfs/dbraw/zinc/63/08/25/372630825.db2.gz ZGOSFKPLWIZMAK-QWRGUYRKSA-N 1 0 237.351 0.715 10 0 BCAERO CC(C)NC(=O)CN1C[C@H](C)[C@H](C[NH3+])C1 ZINC000631843205 372640166 /nfs/dbraw/zinc/64/01/66/372640166.db2.gz KKXWFUZUQRUMQM-VHSXEESVSA-N 1 0 213.325 0.038 10 0 BCAERO O=C(CN1CCC[NH2+]CC1)c1ccncc1 ZINC000067799496 181960424 /nfs/dbraw/zinc/96/04/24/181960424.db2.gz WGOYCSHDJZJXPU-UHFFFAOYSA-N 1 0 219.288 0.560 10 0 BCAERO CC(C)CCS(=O)(=O)N1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631967044 372706491 /nfs/dbraw/zinc/70/64/91/372706491.db2.gz ATPMITCMBSTTAH-QWRGUYRKSA-N 1 0 248.392 0.889 10 0 BCAERO CC(C)CCS(=O)(=O)N1C[C@H](C)[C@H](C[NH3+])C1 ZINC000631967045 372706758 /nfs/dbraw/zinc/70/67/58/372706758.db2.gz ATPMITCMBSTTAH-WDEREUQCSA-N 1 0 248.392 0.889 10 0 BCAERO C[C@H]1C[N@H+](CCC(=O)NC(N)=O)CCS1 ZINC000171695672 372736858 /nfs/dbraw/zinc/73/68/58/372736858.db2.gz OJMOBBGCOKKSSU-ZETCQYMHSA-N 1 0 231.321 0.009 10 0 BCAERO O=C(C[NH2+]C1CC1)NC1CCC(O)CC1 ZINC000037476888 181974633 /nfs/dbraw/zinc/97/46/33/181974633.db2.gz JWUOZZQKQSKUED-UHFFFAOYSA-N 1 0 212.293 0.158 10 0 BCAERO O=C1CC[C@H]([NH2+]Cc2ccccc2)C(=O)N1 ZINC000039097956 372867163 /nfs/dbraw/zinc/86/71/63/372867163.db2.gz YZVJWURQZSNKOF-JTQLQIEISA-N 1 0 218.256 0.581 10 0 BCAERO O=C(C[C@@H]1CCCC[NH2+]1)N1CCS(=O)CC1 ZINC000049692895 182015867 /nfs/dbraw/zinc/01/58/67/182015867.db2.gz UNKFEDPZVILQFN-JTQLQIEISA-N 1 0 244.360 0.110 10 0 BCAERO O=C(CSc1ncccn1)N1CC[NH2+]CC1 ZINC000043402971 182011042 /nfs/dbraw/zinc/01/10/42/182011042.db2.gz OKVMARIFRCROMQ-UHFFFAOYSA-N 1 0 238.316 0.001 10 0 BCAERO O=C(C[C@@H]1CCC[NH2+]C1)N1CCSCC1 ZINC000054305817 182018960 /nfs/dbraw/zinc/01/89/60/182018960.db2.gz JHHOTABRRAHBDZ-JTQLQIEISA-N 1 0 228.361 0.952 10 0 BCAERO O=C(C[C@@H]1CCC[NH2+]C1)NCc1cc[nH]n1 ZINC000054308886 182019064 /nfs/dbraw/zinc/01/90/64/182019064.db2.gz WTXWFGONRDGPGW-VIFPVBQESA-N 1 0 222.292 0.416 10 0 BCAERO O=C(C[C@@H]1CCC[NH2+]C1)NC[C@@H]1CCOC1 ZINC000054307520 182019803 /nfs/dbraw/zinc/01/98/03/182019803.db2.gz HBVYPWAYFDMBQC-QWRGUYRKSA-N 1 0 226.320 0.529 10 0 BCAERO O=C(C[C@@H]1CC[NH2+]C1)Nc1ncccc1O ZINC000128615227 182020029 /nfs/dbraw/zinc/02/00/29/182020029.db2.gz QHTQCGKIGWMXKA-QMMMGPOBSA-N 1 0 221.260 0.725 10 0 BCAERO O=C(C[C@@H]1CCC[NH2+]1)Nc1cnccn1 ZINC000042166290 182017824 /nfs/dbraw/zinc/01/78/24/182017824.db2.gz KZORXXUHLXIHBD-QMMMGPOBSA-N 1 0 206.249 0.557 10 0 BCAERO O=C(C[C@@H]1CCC[NH2+]C1)N1CCC(O)CC1 ZINC000054289950 182017883 /nfs/dbraw/zinc/01/78/83/182017883.db2.gz HVQQXKHGUXZEQL-JTQLQIEISA-N 1 0 226.320 0.359 10 0 BCAERO O=C(C[C@H]1CCC[NH2+]1)N1CCC[C@@H](CO)C1 ZINC000042166272 182027340 /nfs/dbraw/zinc/02/73/40/182027340.db2.gz XHQBPKQBHDYHAZ-GHMZBOCLSA-N 1 0 226.320 0.359 10 0 BCAERO O=C(C[C@H]1CCCC[NH2+]1)N1CCC[C@H]1CO ZINC000042435008 182027470 /nfs/dbraw/zinc/02/74/70/182027470.db2.gz IJDMKYROZSDPNM-MNOVXSKESA-N 1 0 226.320 0.502 10 0 BCAERO O=C(Cc1ccccn1)NC[C@H]1CCC[NH2+]1 ZINC000053253230 182046122 /nfs/dbraw/zinc/04/61/22/182046122.db2.gz JEAYSTPWMPCMLS-LLVKDONJSA-N 1 0 219.288 0.492 10 0 BCAERO O=C(N1CC[C@]2(CC[NH2+]C2)C1)C(F)(F)F ZINC000033426549 182083728 /nfs/dbraw/zinc/08/37/28/182083728.db2.gz FOWLWMFEMJNHTK-QMMMGPOBSA-N 1 0 222.210 0.761 10 0 BCAERO O=C(NC1CCC(O)CC1)[C@H]1CC[NH2+]C1 ZINC000062112050 182103535 /nfs/dbraw/zinc/10/35/35/182103535.db2.gz CEVWKDAFECXWQD-IDKOKCKLSA-N 1 0 212.293 0.016 10 0 BCAERO O=C(NC1CCOCC1)[C@H]1CCC[NH2+]C1 ZINC000036319693 182117315 /nfs/dbraw/zinc/11/73/15/182117315.db2.gz VFGJMDOTFWVRMK-VIFPVBQESA-N 1 0 212.293 0.281 10 0 BCAERO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CCOC1 ZINC000251591494 182119515 /nfs/dbraw/zinc/11/95/15/182119515.db2.gz ZIVFGCGZSNGRNX-GKDVJIACSA-N 1 0 224.304 0.422 10 0 BCAERO CSCC(=O)N1CC[C@H](C)[C@H]([NH3+])C1 ZINC000069718931 373636726 /nfs/dbraw/zinc/63/67/26/373636726.db2.gz BWKRFIQOMOBTKO-JGVFFNPUSA-N 1 0 202.323 0.545 10 0 BCAERO COC(=O)[C@H](C)N1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC000069720178 373648909 /nfs/dbraw/zinc/64/89/09/373648909.db2.gz XNQVXDJCXOGDMY-VGMNWLOBSA-N 1 0 200.282 0.217 10 0 BCAERO O=C(NCCC1=CCCCC1)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000035661268 182152741 /nfs/dbraw/zinc/15/27/41/182152741.db2.gz ZDJYQMRHLIWWGD-NEPJUHHUSA-N 1 0 238.331 0.716 10 0 BCAERO C[C@@H]1CCC[N@H+](CC(C)(C)O)[C@@H]1CN ZINC000069727316 373660657 /nfs/dbraw/zinc/66/06/57/373660657.db2.gz GZJCTSLYSHROOV-NXEZZACHSA-N 1 0 200.326 0.817 10 0 BCAERO CS(=O)(=O)CC[C@H]1CCCCC[NH2+]1 ZINC000069841794 373853600 /nfs/dbraw/zinc/85/36/00/373853600.db2.gz ZDEBZLVQMFNNGD-SECBINFHSA-N 1 0 205.323 0.953 10 0 BCAERO Nc1cc[nH+]cc1C(=O)c1ncccn1 ZINC000069844605 373876913 /nfs/dbraw/zinc/87/69/13/373876913.db2.gz IEVZSGXSYPIWDF-UHFFFAOYSA-N 1 0 200.201 0.685 10 0 BCAERO O=C(NCC[C@@H]1CCCO1)[C@H]1CCC[NH2+]C1 ZINC000038096847 182199806 /nfs/dbraw/zinc/19/98/06/182199806.db2.gz WPEPFQJAZFQDAQ-QWRGUYRKSA-N 1 0 226.320 0.671 10 0 BCAERO O=C(NCC[C@H]1CCCO1)[C@@H]1CC[NH2+]C1 ZINC000062115487 182201365 /nfs/dbraw/zinc/20/13/65/182201365.db2.gz CXFBESRQGJSVDT-NXEZZACHSA-N 1 0 212.293 0.281 10 0 BCAERO CC(C)([NH3+])C(=O)N[C@@H]1CCC[C@H](O)C1 ZINC000040921081 373926801 /nfs/dbraw/zinc/92/68/01/373926801.db2.gz ZSWUZLMXLJDCJF-SFYZADRCSA-N 1 0 200.282 0.143 10 0 BCAERO O=C(NCCc1ccc(O)cc1)[C@@H]1CCC[NH2+]1 ZINC000040736906 182203613 /nfs/dbraw/zinc/20/36/13/182203613.db2.gz DZWYGPHAADWFMK-LBPRGKRZSA-N 1 0 234.299 0.803 10 0 BCAERO O=C(NCCc1ccco1)[C@H]1CCC[NH2+]C1 ZINC000035661807 182206968 /nfs/dbraw/zinc/20/69/68/182206968.db2.gz ZHMSUUQEVQOCKX-JTQLQIEISA-N 1 0 222.288 0.938 10 0 BCAERO O=C(NCCc1ccco1)[C@@H]1CCC[NH2+]C1 ZINC000035661806 182207625 /nfs/dbraw/zinc/20/76/25/182207625.db2.gz ZHMSUUQEVQOCKX-SNVBAGLBSA-N 1 0 222.288 0.938 10 0 BCAERO C[NH2+][C@@]1(C(N)=O)CCO[C@@H](C(C)C)C1 ZINC000069893217 373970365 /nfs/dbraw/zinc/97/03/65/373970365.db2.gz DTRBJRVTZXOQES-SCZZXKLOSA-N 1 0 200.282 0.265 10 0 BCAERO C[NH2+][C@]1(C(N)=O)CCO[C@@H](C(C)C)C1 ZINC000069893223 373970601 /nfs/dbraw/zinc/97/06/01/373970601.db2.gz DTRBJRVTZXOQES-PSASIEDQSA-N 1 0 200.282 0.265 10 0 BCAERO O=C(NC[C@@H]1CC=CCC1)[C@@H]1C[NH2+]CCO1 ZINC000045647399 182222784 /nfs/dbraw/zinc/22/27/84/182222784.db2.gz XHMWGJILCKAGQI-MNOVXSKESA-N 1 0 224.304 0.447 10 0 BCAERO [NH3+][C@@H]1CCCN(C[C@@H]2CCOCO2)C1 ZINC000041029564 374081760 /nfs/dbraw/zinc/08/17/60/374081760.db2.gz UUEWDOWRNVYBTL-ZJUUUORDSA-N 1 0 200.282 0.173 10 0 BCAERO O=C(NC[C@@H](O)C(F)(F)F)[C@@H]1CCCC[NH2+]1 ZINC000225389110 182218828 /nfs/dbraw/zinc/21/88/28/182218828.db2.gz VPKPYIXWBLTKCR-NKWVEPMBSA-N 1 0 240.225 0.168 10 0 BCAERO COC(C)(C)CNC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000173917116 374116139 /nfs/dbraw/zinc/11/61/39/374116139.db2.gz LFUCXHGHMOYUII-SNVBAGLBSA-N 1 0 243.351 0.757 10 0 BCAERO C[C@@H](CC(N)=S)[NH+]1CCN(C)CC1 ZINC000041210911 374120310 /nfs/dbraw/zinc/12/03/10/374120310.db2.gz QAICWWIZCXZYJZ-QMMMGPOBSA-N 1 0 201.339 0.299 10 0 BCAERO COC(=O)C1=C(O)CCN(CCC[NH+](C)C)C1 ZINC000041286719 374129280 /nfs/dbraw/zinc/12/92/80/374129280.db2.gz VRPCRECXXADOIY-SNVBAGLBSA-N 1 0 242.319 0.002 10 0 BCAERO O=C(NC[C@@H]1CC[NH2+]C1)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000251154888 182225680 /nfs/dbraw/zinc/22/56/80/182225680.db2.gz KPCAUSOGIHNMSO-ZNSHCXBVSA-N 1 0 208.305 0.758 10 0 BCAERO COc1ccc([C@@H](O)CN2CC[C@H]([NH3+])C2)cc1 ZINC000070458361 374143836 /nfs/dbraw/zinc/14/38/36/374143836.db2.gz ACYWPAFIBGIGSI-AAEUAGOBSA-N 1 0 236.315 0.762 10 0 BCAERO O=C(NC[C@H]1CCOC1)[C@@H]1CCCC[NH2+]1 ZINC000037739058 182243759 /nfs/dbraw/zinc/24/37/59/182243759.db2.gz HLMRRAQVRRIZNG-ZJUUUORDSA-N 1 0 212.293 0.281 10 0 BCAERO O=C(NC[C@H]1CCCCO1)[C@H]1CCC[NH2+]C1 ZINC000042823407 182236284 /nfs/dbraw/zinc/23/62/84/182236284.db2.gz SXPJEQDTHURTOM-WDEREUQCSA-N 1 0 226.320 0.671 10 0 BCAERO O=C(NCc1cccc(O)c1)[C@@H]1CCC[NH2+]1 ZINC000169813074 182254326 /nfs/dbraw/zinc/25/43/26/182254326.db2.gz GSAINHOXYRVUGQ-NSHDSACASA-N 1 0 220.272 0.760 10 0 BCAERO O=C(NC[C@H]1C[NH2+]CCO1)c1ccc(O)cc1 ZINC000036285246 182246490 /nfs/dbraw/zinc/24/64/90/182246490.db2.gz YESWMFTWYLBWFD-LLVKDONJSA-N 1 0 236.271 0.110 10 0 BCAERO O=C(NC[C@H]1Cc2ccccc2O1)[C@H]1CCC[NH2+]1 ZINC000037985619 182248190 /nfs/dbraw/zinc/24/81/90/182248190.db2.gz XORDXWCGIHXROC-VXGBXAGGSA-N 1 0 246.310 0.858 10 0 BCAERO COCC(=O)Nc1nc([C@@H](C)[NH3+])cs1 ZINC000070884814 374223894 /nfs/dbraw/zinc/22/38/94/374223894.db2.gz RPZFHNYCAMBAPN-RXMQYKEDSA-N 1 0 215.278 0.748 10 0 BCAERO CN([C@H]1CCC[NH2+]C1)S(=O)(=O)C1CC1 ZINC000070907518 374226929 /nfs/dbraw/zinc/22/69/29/374226929.db2.gz MRFUKIPPLPDOHQ-QMMMGPOBSA-N 1 0 218.322 0.162 10 0 BCAERO O=C(NCc1ccc(O)c(F)c1)[C@@H]1CCC[NH2+]1 ZINC000238142949 182251342 /nfs/dbraw/zinc/25/13/42/182251342.db2.gz WTPWIJMUXPYTCZ-JTQLQIEISA-N 1 0 238.262 0.900 10 0 BCAERO O=S1CCC([NH2+]C[C@@H]2CCCO2)CC1 ZINC000042335803 374262566 /nfs/dbraw/zinc/26/25/66/374262566.db2.gz GXMVSOJYZBPHLS-XIRUVYRFSA-N 1 0 217.334 0.666 10 0 BCAERO O=C(NCc1cn[nH]c1)C1CC[NH2+]CC1 ZINC000038006548 182268738 /nfs/dbraw/zinc/26/87/38/182268738.db2.gz BGUGSTHTIAXBEW-UHFFFAOYSA-N 1 0 208.265 0.026 10 0 BCAERO O=C(NCc1nc[nH]n1)[C@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000037920045 182272556 /nfs/dbraw/zinc/27/25/56/182272556.db2.gz WGWVQIIEBSKYAB-LPEHRKFASA-N 1 0 249.318 0.342 10 0 BCAERO O=C(N[C@@H]1CC[NH2+]C1)N1CCO[C@H]2CCC[C@H]21 ZINC000333695497 182304278 /nfs/dbraw/zinc/30/42/78/182304278.db2.gz QEUXQDWWOISJFB-MXWKQRLJSA-N 1 0 239.319 0.311 10 0 BCAERO O=C(N[C@H]1CCCC[C@H]1O)[C@@H]1CCC[NH2+]C1 ZINC000052009477 182329970 /nfs/dbraw/zinc/32/99/70/182329970.db2.gz YPUOZGNXCJHKFX-OUAUKWLOSA-N 1 0 226.320 0.406 10 0 BCAERO CNC(=O)NC(=O)C[NH2+][C@H](C)c1cccs1 ZINC000194694427 206105482 /nfs/dbraw/zinc/10/54/82/206105482.db2.gz DKCUFEMEBFMXNC-SSDOTTSWSA-N 1 0 241.316 0.854 10 0 BCAERO O=C(N[C@H](CO)Cc1ccccc1)[C@H]1CCC[NH2+]1 ZINC000063220893 182324524 /nfs/dbraw/zinc/32/45/24/182324524.db2.gz YTYRRTBPYWDDBV-QWHCGFSZSA-N 1 0 248.326 0.458 10 0 BCAERO O=C(Nc1ccc(Cl)nc1)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000122146521 182353502 /nfs/dbraw/zinc/35/35/02/182353502.db2.gz CQHBVJCWWXQQTN-SFYZADRCSA-N 1 0 241.678 0.396 10 0 BCAERO O=C(Nc1cccc(CO)c1)[C@@H]1CCC[NH2+]1 ZINC000035222582 182367818 /nfs/dbraw/zinc/36/78/18/182367818.db2.gz CLOJQFFEWVPOTG-NSHDSACASA-N 1 0 220.272 0.869 10 0 BCAERO CCNC(=O)C[NH2+][C@H]1CCCCC[C@@H]1O ZINC000037892080 170065777 /nfs/dbraw/zinc/06/57/77/170065777.db2.gz OZAKJQHQJUBMQX-UWVGGRQHSA-N 1 0 214.309 0.406 10 0 BCAERO O=C(Nc1cccnc1Cl)[C@H]1C[NH2+]CCO1 ZINC000043714619 182385211 /nfs/dbraw/zinc/38/52/11/182385211.db2.gz CPNOBGLLBAEPEM-MRVPVSSYSA-N 1 0 241.678 0.662 10 0 BCAERO CCNC1(C(=O)OC)CC[NH+](C)CC1 ZINC000037446799 170108243 /nfs/dbraw/zinc/10/82/43/170108243.db2.gz KYBSSOYGVQPSQV-UHFFFAOYSA-N 1 0 200.282 0.233 10 0 BCAERO O=C(OC1CCOCC1)C1CC[NH2+]CC1 ZINC000040991847 182600893 /nfs/dbraw/zinc/60/08/93/182600893.db2.gz PHLKORZTKABQDE-UHFFFAOYSA-N 1 0 213.277 0.708 10 0 BCAERO O=C([C@@H]1CCC[NH2+]C1)N1CCC(CO)CC1 ZINC000034959136 182617288 /nfs/dbraw/zinc/61/72/88/182617288.db2.gz JVVSXZUMIQVEBB-LLVKDONJSA-N 1 0 226.320 0.217 10 0 BCAERO O=C(c1ccon1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000132892999 182695202 /nfs/dbraw/zinc/69/52/02/182695202.db2.gz WWKBHRWMALXCGV-BDAKNGLRSA-N 1 0 221.260 0.641 10 0 BCAERO O=C(c1nc[nH]n1)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000104336894 182710038 /nfs/dbraw/zinc/71/00/38/182710038.db2.gz MTSCFDXGNPIWCE-UWVGGRQHSA-N 1 0 249.318 0.409 10 0 BCAERO O=C1CCCC(=O)N1C[C@H]1CCC[NH2+]C1 ZINC000020423203 182725581 /nfs/dbraw/zinc/72/55/81/182725581.db2.gz RGVIMCLDVKYPLR-VIFPVBQESA-N 1 0 210.277 0.525 10 0 BCAERO CCOC(=O)[C@@H](N)C[N@@H+]1CC[C@@H](C)C1 ZINC000223009980 170252569 /nfs/dbraw/zinc/25/25/69/170252569.db2.gz UMYUHLIBUOBXSX-BDAKNGLRSA-N 1 0 200.282 0.219 10 0 BCAERO O=C(NC1C[NH2+]C1)c1ccc2c(c1)CCC(=O)N2 ZINC000226248716 182755742 /nfs/dbraw/zinc/75/57/42/182755742.db2.gz CSTBEXCAGYHLRL-UHFFFAOYSA-N 1 0 245.282 0.273 10 0 BCAERO O=C1C[C@@H]([NH2+]CCC2=CCCCC2)C(=O)N1 ZINC000051756451 182775789 /nfs/dbraw/zinc/77/57/89/182775789.db2.gz GDLRLJFDUFBKNR-SNVBAGLBSA-N 1 0 222.288 0.882 10 0 BCAERO O=C1NC2(CC[NH2+]CC2)N=C1c1cccc(F)c1 ZINC000085346592 182796695 /nfs/dbraw/zinc/79/66/95/182796695.db2.gz GJWWDHUEUJRNDK-UHFFFAOYSA-N 1 0 247.273 0.824 10 0 BCAERO CCOCC(=O)N1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000233975404 170341254 /nfs/dbraw/zinc/34/12/54/170341254.db2.gz IBOFPMRPSPBWRF-NXEZZACHSA-N 1 0 214.309 0.609 10 0 BCAERO O=S(=O)(C[C@@H]1CCC[NH2+]C1)c1ncccn1 ZINC000095073209 182890146 /nfs/dbraw/zinc/89/01/46/182890146.db2.gz RSHNICBUIFROEC-SECBINFHSA-N 1 0 241.316 0.250 10 0 BCAERO O=S(=O)(Cc1ccncc1)C[C@@H]1CCC[NH2+]1 ZINC000095073193 182891151 /nfs/dbraw/zinc/89/11/51/182891151.db2.gz RYCYFCUVEISRGV-NSHDSACASA-N 1 0 240.328 0.748 10 0 BCAERO CCC[C@@H](C(=O)N1CCO[C@@H](C)C1)[NH+](C)C ZINC000178643433 134312358 /nfs/dbraw/zinc/31/23/58/134312358.db2.gz AXMQLXQHXIFPHL-QWRGUYRKSA-N 1 0 228.336 0.964 10 0 BCAERO O=S(=O)(c1nccs1)C1CC[NH2+]CC1 ZINC000095073074 182905936 /nfs/dbraw/zinc/90/59/36/182905936.db2.gz FTSHGHQVQRUQDO-UHFFFAOYSA-N 1 0 232.330 0.669 10 0 BCAERO O=S1(=O)CC[C@H](C[NH2+]Cc2ccc[nH]2)C1 ZINC000051789431 182912376 /nfs/dbraw/zinc/91/23/76/182912376.db2.gz GRMVRLMQBNPAAY-SECBINFHSA-N 1 0 228.317 0.539 10 0 BCAERO O=S1(=O)CC[C@H]([NH2+]CC[C@@H]2CCCO2)C1 ZINC000038096506 182912848 /nfs/dbraw/zinc/91/28/48/182912848.db2.gz HBNCODBIOGSWEQ-UWVGGRQHSA-N 1 0 233.333 0.332 10 0 BCAERO O=S1(=O)CC[C@]2(C[C@@H]2C[NH2+]C2CC2)C1 ZINC000062963574 182914449 /nfs/dbraw/zinc/91/44/49/182914449.db2.gz MXZQGHWGRAVFQJ-SCZZXKLOSA-N 1 0 215.318 0.563 10 0 BCAERO O=S1CCC([NH2+][C@H]2CCCC[C@@H]2O)CC1 ZINC000052002583 182918022 /nfs/dbraw/zinc/91/80/22/182918022.db2.gz URXNKVZWOLMEHV-SSOKKCIESA-N 1 0 231.361 0.791 10 0 BCAERO CCOCCCN1CCO[C@H](C[NH2+]C)C1 ZINC000071519821 170374019 /nfs/dbraw/zinc/37/40/19/170374019.db2.gz OMXKUOHVXWNQRW-LLVKDONJSA-N 1 0 216.325 0.333 10 0 BCAERO O=[S@@](C[C@H]1CC[NH2+]C1)c1ncc(F)cn1 ZINC000095072012 182963102 /nfs/dbraw/zinc/96/31/02/182963102.db2.gz KOUCXPGLWFJUEZ-NZFNHWASSA-N 1 0 229.280 0.333 10 0 BCAERO O=[S@@](C[C@H]1CCCC[NH2+]1)c1ncccn1 ZINC000095073490 182963300 /nfs/dbraw/zinc/96/33/00/182963300.db2.gz DKSUCBUHZHDLFK-RFAUZJTJSA-N 1 0 225.317 0.726 10 0 BCAERO O=[S@@](C[C@@H]1CCC[NH2+]C1)c1ncc(F)cn1 ZINC000095072006 182963455 /nfs/dbraw/zinc/96/34/55/182963455.db2.gz GZNRMAUCXBALPM-VPTHRUTESA-N 1 0 243.307 0.723 10 0 BCAERO O=[S@](C[C@@H]1CC[NH2+]C1)c1ccnc(Cl)n1 ZINC000095070115 182966548 /nfs/dbraw/zinc/96/65/48/182966548.db2.gz LRABTQHRPSPXCL-MLXNANBUSA-N 1 0 245.735 0.847 10 0 BCAERO O=[S@](C[C@H]1CC[NH2+]C1)c1ccc(Cl)nn1 ZINC000095069967 182967830 /nfs/dbraw/zinc/96/78/30/182967830.db2.gz JLABBNKKVXBWSC-ZIDLFYJRSA-N 1 0 245.735 0.847 10 0 BCAERO O=c1oc2cccnc2n1C[C@@H]1CCC[NH2+]C1 ZINC000057872037 183013327 /nfs/dbraw/zinc/01/33/27/183013327.db2.gz TYUKZBVYTUZRGF-SECBINFHSA-N 1 0 233.271 0.989 10 0 BCAERO O=c1cccnn1CCC[C@@H]1CCC[NH2+]1 ZINC000061403304 183003763 /nfs/dbraw/zinc/00/37/63/183003763.db2.gz NHKOUHQGUZKSHE-JTQLQIEISA-N 1 0 207.277 0.776 10 0 BCAERO O=c1cccnn1CC[NH2+]C1CCOCC1 ZINC000062767991 183004335 /nfs/dbraw/zinc/00/43/35/183004335.db2.gz VCINBLNZNISGBB-UHFFFAOYSA-N 1 0 223.276 0.012 10 0 BCAERO O=c1oc2cccnc2n1C[C@H]1CCC[NH2+]C1 ZINC000057872042 183012764 /nfs/dbraw/zinc/01/27/64/183012764.db2.gz TYUKZBVYTUZRGF-VIFPVBQESA-N 1 0 233.271 0.989 10 0 BCAERO OCCCCC[NH2+]CCN1CCOCC1 ZINC000049816142 183047795 /nfs/dbraw/zinc/04/77/95/183047795.db2.gz RHYSZBWKEKCTOI-UHFFFAOYSA-N 1 0 216.325 0.071 10 0 BCAERO OCC1([NH2+]Cc2ccncn2)CCCC1 ZINC000054789936 183038652 /nfs/dbraw/zinc/03/86/52/183038652.db2.gz LOEVRUZQYPYTBK-UHFFFAOYSA-N 1 0 207.277 0.871 10 0 BCAERO OCCCC[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000105922853 183051025 /nfs/dbraw/zinc/05/10/25/183051025.db2.gz UUISXIWNOHDMDM-NSHDSACASA-N 1 0 224.308 0.688 10 0 BCAERO OCCC[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000105919375 183054568 /nfs/dbraw/zinc/05/45/68/183054568.db2.gz ACCMTUDPZUPKCL-LLVKDONJSA-N 1 0 224.308 0.373 10 0 BCAERO OCCOCC[NH2+]C[C@@H]1C[C@H]2C=C[C@@H]1C2 ZINC000035014806 183084483 /nfs/dbraw/zinc/08/44/83/183084483.db2.gz ZJRJELHVLYKDMF-TUAOUCFPSA-N 1 0 211.305 0.797 10 0 BCAERO OC[C@@H](c1cccnc1)N1CC[NH2+]CC1 ZINC000038120850 183114595 /nfs/dbraw/zinc/11/45/95/183114595.db2.gz RNAVPHPCTUYPBO-NSHDSACASA-N 1 0 207.277 0.020 10 0 BCAERO OC[C@@H]([C@H]1CC=CCC1)[NH+]1CCNCC1 ZINC000038120917 183114611 /nfs/dbraw/zinc/11/46/11/183114611.db2.gz SKZVSHGDBLAYMK-RYUDHWBXSA-N 1 0 210.321 0.609 10 0 BCAERO OC[C@@H](c1cccnc1)N1CCC[NH2+]CC1 ZINC000038117446 183114742 /nfs/dbraw/zinc/11/47/42/183114742.db2.gz WUXPJHFATGWHTN-LBPRGKRZSA-N 1 0 221.304 0.410 10 0 BCAERO CCCC[C@H]([NH3+])C(=O)N1CCOC[C@H]1C ZINC000037480665 169006543 /nfs/dbraw/zinc/00/65/43/169006543.db2.gz IMMCBKVSSZVVOK-ZJUUUORDSA-N 1 0 214.309 0.751 10 0 BCAERO OC[C@@H](Cc1ccccc1)[NH2+]C1COC1 ZINC000082488725 183106487 /nfs/dbraw/zinc/10/64/87/183106487.db2.gz NUMSDZLLLPTSDH-LLVKDONJSA-N 1 0 207.273 0.578 10 0 BCAERO OC[C@@H](O)C[NH2+]CCCc1ccccc1 ZINC000037485798 183111382 /nfs/dbraw/zinc/11/13/82/183111382.db2.gz UKAAOIZRLKKSRU-LBPRGKRZSA-N 1 0 209.289 0.562 10 0 BCAERO OC[C@H](O)C[NH2+][C@H]1CCc2ccccc21 ZINC000077548988 183144062 /nfs/dbraw/zinc/14/40/62/183144062.db2.gz VFKGNQYTVBJNBI-PWSUYJOCSA-N 1 0 207.273 0.617 10 0 BCAERO OC[C@H](O)C[NH2+]Cc1ccc(Cl)cc1F ZINC000083360424 183143129 /nfs/dbraw/zinc/14/31/29/183143129.db2.gz OPOOGEZJAFDHIZ-SECBINFHSA-N 1 0 233.670 0.922 10 0 BCAERO OC[C@@H]1C[C@H](O)C[N@@H+]1C[C@H]1Cc2ccccc21 ZINC000287710500 183130436 /nfs/dbraw/zinc/13/04/36/183130436.db2.gz JPFXUJKUJCYTRB-AGIUHOORSA-N 1 0 233.311 0.754 10 0 BCAERO OC[C@H]1CCCC[N@@H+]1CC1(CO)CCOCC1 ZINC000052199788 183146616 /nfs/dbraw/zinc/14/66/16/183146616.db2.gz NZVHVSYLVFFSCG-GFCCVEGCSA-N 1 0 243.347 0.622 10 0 BCAERO OC[C@H]1C[C@H](O)C[N@@H+]1Cc1cccc(F)c1 ZINC000179174623 183156514 /nfs/dbraw/zinc/15/65/14/183156514.db2.gz RSQWASCDEVIKNS-NEPJUHHUSA-N 1 0 225.263 0.753 10 0 BCAERO CCCN(C(=O)[C@H](C)N1CC[NH2+]CC1)C1CC1 ZINC000037097659 169045086 /nfs/dbraw/zinc/04/50/86/169045086.db2.gz DBESBLPEKPMSHI-NSHDSACASA-N 1 0 239.363 0.681 10 0 BCAERO OCc1ccc(C[NH2+][C@H]2CCC[C@H]2O)o1 ZINC000164612149 183164259 /nfs/dbraw/zinc/16/42/59/183164259.db2.gz JZOWVXTUJLSLSQ-WDEREUQCSA-N 1 0 211.261 0.775 10 0 BCAERO OC[C@H](c1ccccc1)N1CC[NH2+]CC1 ZINC000038120737 183145245 /nfs/dbraw/zinc/14/52/45/183145245.db2.gz CPPBQCJPEHLWEK-GFCCVEGCSA-N 1 0 206.289 0.625 10 0 BCAERO O[C@@H](C[NH2+]CC1CCOCC1)COCC1CC1 ZINC000107064442 183179740 /nfs/dbraw/zinc/17/97/40/183179740.db2.gz LMEXJZICTBTUDC-ZDUSSCGKSA-N 1 0 243.347 0.790 10 0 BCAERO O[C@@H]1CC[NH2+]C[C@H]1CCc1ccccn1 ZINC000076640655 183200851 /nfs/dbraw/zinc/20/08/51/183200851.db2.gz BVMHALCUWWTHSP-ZYHUDNBSSA-N 1 0 206.289 0.985 10 0 BCAERO O[C@@H]1CCCC[C@@H]1[NH2+]CCN1CCOCC1 ZINC000037490724 183189223 /nfs/dbraw/zinc/18/92/23/183189223.db2.gz UYCBDOWSNMVREL-NWDGAFQWSA-N 1 0 228.336 0.212 10 0 BCAERO O[C@@H]1CCCC[C@H]1[NH2+]CCn1cccn1 ZINC000042540825 183190230 /nfs/dbraw/zinc/19/02/30/183190230.db2.gz GJUWWIWPSFEKRD-GHMZBOCLSA-N 1 0 209.293 0.776 10 0 BCAERO O[C@@H]1CCCC[C@H]1[N@@H+]1CC[C@H](c2nnc[nH]2)C1 ZINC000333748250 183190368 /nfs/dbraw/zinc/19/03/68/183190368.db2.gz NHOIOTWKWUMZDR-HBNTYKKESA-N 1 0 236.319 0.898 10 0 BCAERO CCCN(CC(=O)OC)C(=O)C1([NH3+])CCCC1 ZINC000037813098 169100255 /nfs/dbraw/zinc/10/02/55/169100255.db2.gz AYKNPPGEGLLXEI-UHFFFAOYSA-N 1 0 242.319 0.670 10 0 BCAERO O[C@H](CNCc1cc[nH]c1)C[NH+]1CCCCC1 ZINC000175700857 183224088 /nfs/dbraw/zinc/22/40/88/183224088.db2.gz IWHRVQDHIQUFRK-CYBMUJFWSA-N 1 0 237.347 0.951 10 0 BCAERO CCC[N@H+](CC(=O)N(C)C)[C@H](C)CC(=O)OC ZINC000042423171 169093736 /nfs/dbraw/zinc/09/37/36/169093736.db2.gz UBGYGKASCGFNBT-SNVBAGLBSA-N 1 0 244.335 0.738 10 0 BCAERO CCCN(CC(=O)NC)C(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000091544186 169095298 /nfs/dbraw/zinc/09/52/98/169095298.db2.gz QYLLYJVZQINHTN-VHSXEESVSA-N 1 0 241.335 0.098 10 0 BCAERO CCCN(CC(=O)NC)C(=O)[C@H]([NH3+])CC(C)C ZINC000038101016 169095376 /nfs/dbraw/zinc/09/53/76/169095376.db2.gz FLKRWHXPPNKPIS-SNVBAGLBSA-N 1 0 243.351 0.344 10 0 BCAERO O[C@H]1COC[C@@H]1[NH2+]CCc1ccccc1F ZINC000037877387 183246664 /nfs/dbraw/zinc/24/66/64/183246664.db2.gz XVIJXNUUQCDMPP-RYUDHWBXSA-N 1 0 225.263 0.718 10 0 BCAERO O[C@]1(C[NH2+][C@H]2COc3ccccc3C2)CCOC1 ZINC000328119724 183252201 /nfs/dbraw/zinc/25/22/01/183252201.db2.gz KWYQAOALYMUUSM-OCCSQVGLSA-N 1 0 249.310 0.731 10 0 BCAERO CCC[NH+](CCC)C[C@H](O)Cn1cc(N)cn1 ZINC000036683234 169149314 /nfs/dbraw/zinc/14/93/14/169149314.db2.gz UEZYNQHZHZRYBU-LBPRGKRZSA-N 1 0 240.351 0.948 10 0 BCAERO CCC[NH+](CCC)C[C@@H](O)Cn1cc(N)cn1 ZINC000036683235 169149524 /nfs/dbraw/zinc/14/95/24/169149524.db2.gz UEZYNQHZHZRYBU-GFCCVEGCSA-N 1 0 240.351 0.948 10 0 BCAERO CCCN(CCC)[C@@H]1CS(=O)(=O)C[C@H]1[NH3+] ZINC000031990101 169151460 /nfs/dbraw/zinc/15/14/60/169151460.db2.gz JIGFACSMKHCGPE-NXEZZACHSA-N 1 0 234.365 0.233 10 0 BCAERO CCCN(CCC)[C@@H]1CS(=O)(=O)C[C@@H]1[NH3+] ZINC000031990095 169151474 /nfs/dbraw/zinc/15/14/74/169151474.db2.gz JIGFACSMKHCGPE-VHSXEESVSA-N 1 0 234.365 0.233 10 0 BCAERO Oc1ccc(C[NH2+]CCN2CCOCC2)cc1 ZINC000019953847 183270380 /nfs/dbraw/zinc/27/03/80/183270380.db2.gz HUYRPJQZLUCSAT-UHFFFAOYSA-N 1 0 236.315 0.814 10 0 BCAERO Oc1ccc(C[NH2+]C[C@H]2COCCO2)cc1 ZINC000037997887 183270836 /nfs/dbraw/zinc/27/08/36/183270836.db2.gz COWWNSKKHQCKSZ-LBPRGKRZSA-N 1 0 223.272 0.897 10 0 BCAERO Oc1ccc2c(c1)O[C@H](C1=[NH+]CCN1)C2 ZINC000027648212 183282214 /nfs/dbraw/zinc/28/22/14/183282214.db2.gz DRHULHXODFBXFZ-JTQLQIEISA-N 1 0 204.229 0.697 10 0 BCAERO CCC[NH+]1CCC(C(=O)[O-])([NH+](C)C)CC1 ZINC000037357604 169186324 /nfs/dbraw/zinc/18/63/24/169186324.db2.gz ZXTUOSYMBVZWDB-UHFFFAOYSA-N 1 0 214.309 0.877 10 0 BCAERO CCC[NH+]1CCC(NCC2CC2)(C(N)=O)CC1 ZINC000038000870 169187798 /nfs/dbraw/zinc/18/77/98/169187798.db2.gz UMWSNRYVYSMHGZ-UHFFFAOYSA-N 1 0 239.363 0.716 10 0 BCAERO c1cnc2[nH]c(N[C@H]3CC[NH2+]C3)nc2c1 ZINC000095092771 183329559 /nfs/dbraw/zinc/32/95/59/183329559.db2.gz JHYOJABEYYAKEZ-ZETCQYMHSA-N 1 0 203.249 0.683 10 0 BCAERO CCCN1CCN(C(=O)[C@H]([NH3+])CC(C)C)CC1 ZINC000019508915 169201922 /nfs/dbraw/zinc/20/19/22/169201922.db2.gz HTFSDFNGBIMUDK-GFCCVEGCSA-N 1 0 241.379 0.914 10 0 BCAERO CCC[N@@H+]1CCN(C[C@@H](C)O)[C@H](C)C1 ZINC000105823769 169202768 /nfs/dbraw/zinc/20/27/68/169202768.db2.gz LZLLHLJFNSDPPW-GHMZBOCLSA-N 1 0 200.326 0.783 10 0 BCAERO S=C(NC1CCCC1)N1CC[NH2+]CC1 ZINC000071518876 183311567 /nfs/dbraw/zinc/31/15/67/183311567.db2.gz LJCCRAXTNFUDRJ-UHFFFAOYSA-N 1 0 213.350 0.709 10 0 BCAERO S=C(N1CCCCC1)N1CC[NH2+]CC1 ZINC000071518877 183311772 /nfs/dbraw/zinc/31/17/72/183311772.db2.gz WHQZNFPNRDDWDB-UHFFFAOYSA-N 1 0 213.350 0.662 10 0 BCAERO CCCNC(=O)CNC(=O)CCC[NH2+]C(C)C ZINC000037633248 169224299 /nfs/dbraw/zinc/22/42/99/169224299.db2.gz JJZJYFKDXPAZHB-UHFFFAOYSA-N 1 0 243.351 0.407 10 0 BCAERO CCCNC(=O)CNCCC[NH+](CC)CC ZINC000020052160 169225919 /nfs/dbraw/zinc/22/59/19/169225919.db2.gz LIZOGCQPNQREQZ-UHFFFAOYSA-N 1 0 229.368 0.834 10 0 BCAERO CCCNC(=O)CNCC(C)(C)C[NH+](C)C ZINC000020043135 169226059 /nfs/dbraw/zinc/22/60/59/169226059.db2.gz SKJFHTFRCUAHEV-UHFFFAOYSA-N 1 0 229.368 0.690 10 0 BCAERO CCCNC(=O)C[NH2+]CC1=CCCOC1 ZINC000124631520 169226314 /nfs/dbraw/zinc/22/63/14/169226314.db2.gz DEXSTAMWLCNMNT-UHFFFAOYSA-N 1 0 212.293 0.449 10 0 BCAERO CCCNC(=O)C[NH2+][C@H](C)C(=O)N(CC)CC ZINC000035207114 169229546 /nfs/dbraw/zinc/22/95/46/169229546.db2.gz VKUKDVNDZPEIAN-SNVBAGLBSA-N 1 0 243.351 0.359 10 0 BCAERO c1cc(C[NH2+]C[C@@H]2CCCOC2)ncn1 ZINC000054789721 183350547 /nfs/dbraw/zinc/35/05/47/183350547.db2.gz QPNDWWFIOCIJPJ-JTQLQIEISA-N 1 0 207.277 0.993 10 0 BCAERO CCCNC(=O)CC[NH2+][C@H]1CCN(C2CC2)C1 ZINC000061983893 169217097 /nfs/dbraw/zinc/21/70/97/169217097.db2.gz PNBXFPJJHAVBLD-NSHDSACASA-N 1 0 239.363 0.729 10 0 BCAERO CCCNC(=O)CN(C)CC[C@H]1CCCC[NH2+]1 ZINC000042518479 169218847 /nfs/dbraw/zinc/21/88/47/169218847.db2.gz FCTAECNWINVDFV-GFCCVEGCSA-N 1 0 241.379 0.977 10 0 BCAERO c1cc(CCC[NH2+]CCN2CCOCC2)ccn1 ZINC000076276766 183336325 /nfs/dbraw/zinc/33/63/25/183336325.db2.gz PNWMUXAIUVGCJC-UHFFFAOYSA-N 1 0 249.358 0.936 10 0 BCAERO c1cc2nc([C@H]3C[NH2+]CCO3)nc-2c[nH]1 ZINC000070801506 183363296 /nfs/dbraw/zinc/36/32/96/183363296.db2.gz AXAUSRZBZWTRSC-SECBINFHSA-N 1 0 204.233 0.619 10 0 BCAERO CCC[NH2+]C1CCN([C@@H](C)C(=O)NCC)CC1 ZINC000037537102 169256252 /nfs/dbraw/zinc/25/62/52/169256252.db2.gz AGRIFQBYXSLFIH-NSHDSACASA-N 1 0 241.379 0.975 10 0 BCAERO c1nncn1-c1ccc2c(c1)C[NH2+]CC2 ZINC000068890814 183366268 /nfs/dbraw/zinc/36/62/68/183366268.db2.gz SMIUEYGYPRCATG-UHFFFAOYSA-N 1 0 200.245 0.913 10 0 BCAERO CCC[NH2+]C[C@@H]1CCCN([C@@H](CC)C(N)=O)C1 ZINC000104421516 169262179 /nfs/dbraw/zinc/26/21/79/169262179.db2.gz BQJPIFCGZWWJQU-RYUDHWBXSA-N 1 0 241.379 0.962 10 0 BCAERO c1nnc2ccc(NCC3CC[NH2+]CC3)nn12 ZINC000073736976 183376907 /nfs/dbraw/zinc/37/69/07/183376907.db2.gz ZQLZCBNOKRSDHB-UHFFFAOYSA-N 1 0 232.291 0.536 10 0 BCAERO CCCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CCCOC1 ZINC000038045772 169242451 /nfs/dbraw/zinc/24/24/51/169242451.db2.gz JPTDMSSIOJYGEC-MNOVXSKESA-N 1 0 228.336 0.917 10 0 BCAERO CCCNC(=O)[C@H](C)[NH2+]C[C@H]1CCCOC1 ZINC000038045775 169246659 /nfs/dbraw/zinc/24/66/59/169246659.db2.gz JPTDMSSIOJYGEC-WDEREUQCSA-N 1 0 228.336 0.917 10 0 BCAERO CCCN[C@@](C)(C[N@H+](C)C[C@@H]1C[C@@H]1C)C(N)=O ZINC000104406818 169284442 /nfs/dbraw/zinc/28/44/42/169284442.db2.gz YFDSTAZBGSUGIT-GVXVVHGQSA-N 1 0 241.379 0.818 10 0 BCAERO CCC[NH2+][C@H](C(N)=O)c1ccc2c(c1)OCO2 ZINC000037513881 169285217 /nfs/dbraw/zinc/28/52/17/169285217.db2.gz MMQSXPKIHZLVGC-NSHDSACASA-N 1 0 236.271 0.941 10 0 BCAERO c1ccc(-n2nnnc2O[C@@H]2CC[NH2+]C2)cc1 ZINC000051868451 183387414 /nfs/dbraw/zinc/38/74/14/183387414.db2.gz RGOWEOUCKHZYHN-SNVBAGLBSA-N 1 0 231.259 0.403 10 0 BCAERO CCC[NH2+][C@H](CCOC[C@H]1CCOC1)C(N)=O ZINC000062542029 169288811 /nfs/dbraw/zinc/28/88/11/169288811.db2.gz XIPNWIISYTXFNY-WDEREUQCSA-N 1 0 244.335 0.283 10 0 BCAERO CCC[NH2+][C@H](CN1CC[C@H]([NH+](C)C)C1)C(=O)[O-] ZINC000062968832 169289382 /nfs/dbraw/zinc/28/93/82/169289382.db2.gz ATNWZADBXMMTSC-WDEREUQCSA-N 1 0 243.351 0.075 10 0 BCAERO CCC[NH2+][C@H](COC)Cc1nc(COC)no1 ZINC000104057779 169289504 /nfs/dbraw/zinc/28/95/04/169289504.db2.gz JMXWBMGKKAKIMK-VIFPVBQESA-N 1 0 243.307 0.773 10 0 BCAERO c1ccc(CC[NH2+]CCN2CCOCC2)nc1 ZINC000020049743 183392713 /nfs/dbraw/zinc/39/27/13/183392713.db2.gz JFLTXERTJQBKKR-UHFFFAOYSA-N 1 0 235.331 0.546 10 0 BCAERO CCCNC(=O)Cn1ccnc1C[NH2+]CCC ZINC000051005297 169268953 /nfs/dbraw/zinc/26/89/53/169268953.db2.gz XETUJUUYQPVUDU-UHFFFAOYSA-N 1 0 238.335 0.909 10 0 BCAERO c1ccc(CN2CC3(C2)C[NH2+]CCO3)cc1 ZINC000083302802 183396365 /nfs/dbraw/zinc/39/63/65/183396365.db2.gz GAZXXNSELSEANP-UHFFFAOYSA-N 1 0 218.300 0.861 10 0 BCAERO CCCNS(=O)(=O)c1ccc(CC[NH3+])cc1 ZINC000011849328 169272292 /nfs/dbraw/zinc/27/22/92/169272292.db2.gz FZKYQBTXSQFULB-UHFFFAOYSA-N 1 0 242.344 0.876 10 0 BCAERO c1ccc(CN2CCOCC23C[NH2+]C3)cc1 ZINC000083302798 183402250 /nfs/dbraw/zinc/40/22/50/183402250.db2.gz DWGPPTFFILEYGL-UHFFFAOYSA-N 1 0 218.300 0.861 10 0 BCAERO CCCOCCOC(=O)COC1CC[NH2+]CC1 ZINC000077252330 169309283 /nfs/dbraw/zinc/30/92/83/169309283.db2.gz SCYSOZLIYCHRIQ-UHFFFAOYSA-N 1 0 245.319 0.725 10 0 BCAERO CCCOCCOCC[C@H]([NH2+]C(C)C)C(N)=O ZINC000104251637 169309610 /nfs/dbraw/zinc/30/96/10/169309610.db2.gz VADXKGRJJGVRCD-NSHDSACASA-N 1 0 246.351 0.672 10 0 BCAERO CCCOCCOc1c(C(N)=[NH2+])c(C)nn1C ZINC000104319269 169309952 /nfs/dbraw/zinc/30/99/52/169309952.db2.gz GPIXYMFTZISFAW-UHFFFAOYSA-N 1 0 240.307 0.818 10 0 BCAERO CCCNc1nc[nH+]c(NN(C)C)c1N ZINC000040707727 169296627 /nfs/dbraw/zinc/29/66/27/169296627.db2.gz SICPYMVASLGZBW-UHFFFAOYSA-N 1 0 210.285 0.769 10 0 BCAERO CCCOC(=O)C1(N)CC[NH+](C)CC1 ZINC000039084851 169297405 /nfs/dbraw/zinc/29/74/05/169297405.db2.gz FXHZUEBBDZCZFM-UHFFFAOYSA-N 1 0 200.282 0.363 10 0 BCAERO CCC[C@@H](C(=O)NCC(=O)NC(C)C)[NH+](C)C ZINC000122131366 169343582 /nfs/dbraw/zinc/34/35/82/169343582.db2.gz NKSMSNSWPCVEPW-JTQLQIEISA-N 1 0 243.351 0.358 10 0 BCAERO CCCOc1ccc(CNC(=O)[C@@H](C)[NH3+])cn1 ZINC000157309915 169318305 /nfs/dbraw/zinc/31/83/05/169318305.db2.gz VEYTUAICVWWLJS-SECBINFHSA-N 1 0 237.303 0.834 10 0 BCAERO CCCOc1ncnc(NCC[NH+](C)C)c1N ZINC000082488383 169328963 /nfs/dbraw/zinc/32/89/63/169328963.db2.gz DKKOTOOLOVJOLN-UHFFFAOYSA-N 1 0 239.323 0.821 10 0 BCAERO CCCS(=O)(=O)CCN1CCC[C@H]1C[NH3+] ZINC000227080755 169329484 /nfs/dbraw/zinc/32/94/84/169329484.db2.gz ZVGVFLGBQYRUNO-JTQLQIEISA-N 1 0 234.365 0.234 10 0 BCAERO CCCS(=O)(=O)N1CCC[C@H]1C[NH3+] ZINC000020182644 169331155 /nfs/dbraw/zinc/33/11/55/169331155.db2.gz UFBYMGXGUDTQEP-QMMMGPOBSA-N 1 0 206.311 0.149 10 0 BCAERO CCCS(=O)(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000061883920 169333308 /nfs/dbraw/zinc/33/33/08/169333308.db2.gz NSLNBPWWUOMCCY-RKDXNWHRSA-N 1 0 220.338 0.443 10 0 BCAERO c1ccc2c(c1)CN([NH+]=C1NCCN1)C2 ZINC000034061521 183448208 /nfs/dbraw/zinc/44/82/08/183448208.db2.gz LVJKWHCQSJWZFK-UHFFFAOYSA-N 1 0 202.261 0.466 10 0 BCAERO CCC[C@@H](C)NC(=O)[C@@H](C)[NH2+]CC(=O)NCC ZINC000035207081 169368431 /nfs/dbraw/zinc/36/84/31/169368431.db2.gz NZISFUQWCFAGKV-NXEZZACHSA-N 1 0 243.351 0.405 10 0 BCAERO CCC[C@@H](C)[NH2+]CCn1cc(F)c(=O)[nH]c1=O ZINC000104154648 169369950 /nfs/dbraw/zinc/36/99/50/169369950.db2.gz CLAKMIAGTBZNRR-MRVPVSSYSA-N 1 0 243.282 0.454 10 0 BCAERO CCC[C@@H](C(=O)[O-])[N@@H+]1CCC[NH2+]CC1 ZINC000037959177 169346146 /nfs/dbraw/zinc/34/61/46/169346146.db2.gz UMXRBPJBDGVOHS-VIFPVBQESA-N 1 0 200.282 0.535 10 0 BCAERO c1cn([C@@H]2COC[C@@H]2[NH2+]C2CCCC2)nn1 ZINC000344479374 183472256 /nfs/dbraw/zinc/47/22/56/183472256.db2.gz MITIDJUSBXDGEG-WDEREUQCSA-N 1 0 222.292 0.750 10 0 BCAERO c1cnc(NCCCN2CC[NH2+]CC2)cn1 ZINC000035307867 183481355 /nfs/dbraw/zinc/48/13/55/183481355.db2.gz BNYVNQVFHNDCIJ-UHFFFAOYSA-N 1 0 221.308 0.184 10 0 BCAERO CCC[C@@H](C)N(C)C(=O)[C@H](C)N1CC[NH2+]CC1 ZINC000036791678 169363222 /nfs/dbraw/zinc/36/32/22/169363222.db2.gz CBJPWSXKAPORFN-NEPJUHHUSA-N 1 0 241.379 0.927 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)N1CCC[C@@H](C(=O)NC)C1 ZINC000159752135 169388086 /nfs/dbraw/zinc/38/80/86/169388086.db2.gz RGFOCZOUKJCGQI-NXEZZACHSA-N 1 0 241.335 0.098 10 0 BCAERO CCC[C@@H](CCC[NH3+])C(=O)N1CCN(C)CC1 ZINC000076624036 169381912 /nfs/dbraw/zinc/38/19/12/169381912.db2.gz CZICWYWVJUYACT-LBPRGKRZSA-N 1 0 241.379 0.916 10 0 BCAERO CCC[C@@H](CCO)CNC(=O)C1CC[NH2+]CC1 ZINC000226680391 169382209 /nfs/dbraw/zinc/38/22/09/169382209.db2.gz WDSDZOICRGFOLS-NSHDSACASA-N 1 0 242.363 0.901 10 0 BCAERO CCC[C@@H](C[NH3+])[C@H]1CCS(=O)(=O)C1 ZINC000052946374 169383845 /nfs/dbraw/zinc/38/38/45/169383845.db2.gz MUXYFKHHQWXNQO-IUCAKERBSA-N 1 0 205.323 0.796 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)N(C)C[C@@H]1CCOC1 ZINC000236892499 169386749 /nfs/dbraw/zinc/38/67/49/169386749.db2.gz UTYCGUAUZWYBTQ-VHSXEESVSA-N 1 0 214.309 0.609 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)NCc1cccc(OC)n1 ZINC000083364876 169390131 /nfs/dbraw/zinc/39/01/31/169390131.db2.gz BBSFMUVDBLBRLC-SNVBAGLBSA-N 1 0 237.303 0.834 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)N[C@@H](C)CN1CCCC1=O ZINC000037769292 169390212 /nfs/dbraw/zinc/39/02/12/169390212.db2.gz IYICGZAXNDFLAU-VHSXEESVSA-N 1 0 241.335 0.241 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)N1CCN(C2CC2)CC1 ZINC000037827023 169388436 /nfs/dbraw/zinc/38/84/36/169388436.db2.gz GKAYHISFZVFGLX-LLVKDONJSA-N 1 0 225.336 0.420 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)N1CCC[C@@H](CO)C1 ZINC000036873449 169388563 /nfs/dbraw/zinc/38/85/63/169388563.db2.gz BCPBORQAKNZQKZ-NXEZZACHSA-N 1 0 214.309 0.345 10 0 BCAERO COC1CC([NH2+]C[C@H]2CN(C)CCO2)C1 ZINC000221110955 134316974 /nfs/dbraw/zinc/31/69/74/134316974.db2.gz UTHOYQZKDXRPBM-ILDUYXDCSA-N 1 0 214.309 0.084 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)N[C@H](CC)COC ZINC000070626277 169391642 /nfs/dbraw/zinc/39/16/42/169391642.db2.gz YOLWIRCXUWCQFS-RKDXNWHRSA-N 1 0 202.298 0.655 10 0 BCAERO Cn1cc(CN2C[C@H](F)C[C@@H]2C[NH3+])cn1 ZINC000396531698 259601309 /nfs/dbraw/zinc/60/13/09/259601309.db2.gz UTCSLRWTGRCPOO-NXEZZACHSA-N 1 0 212.272 0.291 10 0 BCAERO CCC[C@@]1(C(=O)N[C@@H](C)C(=O)NC)CC[NH2+]C1 ZINC000062901452 169460054 /nfs/dbraw/zinc/46/00/54/169460054.db2.gz IAHISQBEBQNSKL-JOYOIKCWSA-N 1 0 241.335 0.017 10 0 BCAERO CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H](C[NH3+])CC1 ZINC000076688621 166652105 /nfs/dbraw/zinc/65/21/05/166652105.db2.gz GHOXTUPNXJHEIC-NXEZZACHSA-N 1 0 244.335 0.953 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N(C)CC(=O)NC(C)(C)C ZINC000037801635 169500043 /nfs/dbraw/zinc/50/00/43/169500043.db2.gz ZPLIOBKSIRPRNQ-VIFPVBQESA-N 1 0 243.351 0.487 10 0 BCAERO CO[C@@H](C)CCC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000183397939 134351117 /nfs/dbraw/zinc/35/11/17/134351117.db2.gz VFBXVCQGXASAEQ-WDEREUQCSA-N 1 0 228.336 0.964 10 0 BCAERO CC(C)(C)[C@@H]([NH3+])CCN1CCS(=O)(=O)CC1 ZINC000054027969 166696559 /nfs/dbraw/zinc/69/65/59/166696559.db2.gz COYRNKQQBOBLAT-JTQLQIEISA-N 1 0 248.392 0.480 10 0 BCAERO CCN(C(=O)[C@@H]1CCOC1)[C@@H]1CCC[NH2+]C1 ZINC000040941633 169650149 /nfs/dbraw/zinc/65/01/49/169650149.db2.gz DGIKZOBQJIDROS-GHMZBOCLSA-N 1 0 226.320 0.623 10 0 BCAERO CCN(C(=O)[C@H]1C[C@@H](O)C[NH2+]1)C1CCCC1 ZINC000035766315 169654602 /nfs/dbraw/zinc/65/46/02/169654602.db2.gz CZEKAANUVUFKEV-GHMZBOCLSA-N 1 0 226.320 0.500 10 0 BCAERO C[C@@H]1OCC[C@@H]1[NH2+]C[C@@H](O)Cn1cccn1 ZINC000226440613 134363035 /nfs/dbraw/zinc/36/30/35/134363035.db2.gz WAGMVMRPEDBOFG-AXFHLTTASA-N 1 0 225.292 0.011 10 0 BCAERO C[C@@H]1OCC[C@@H]1[NH2+]C[C@@H](O)COC(C)(C)C ZINC000226437437 134363124 /nfs/dbraw/zinc/36/31/24/134363124.db2.gz SSLGXVKAQACWLY-AXFHLTTASA-N 1 0 231.336 0.929 10 0 BCAERO Cc1cnn(CC[NH2+]Cc2cnnn2C)c1 ZINC000227125261 134376219 /nfs/dbraw/zinc/37/62/19/134376219.db2.gz ZDKAVWYQARDOLX-UHFFFAOYSA-N 1 0 220.280 0.110 10 0 BCAERO Cc1nccc(C[NH2+]C[C@]2(O)CCO[C@@H]2C)n1 ZINC000227126794 134376357 /nfs/dbraw/zinc/37/63/57/134376357.db2.gz IOUCGAXUZBAFLI-BXKDBHETSA-N 1 0 237.303 0.415 10 0 BCAERO O=C(N[C@@H]1CC[C@H]2C[C@H]2C1)[C@@H]1CC[NH2+]C1 ZINC000647097528 383820921 /nfs/dbraw/zinc/82/09/21/383820921.db2.gz QKZKPJBMUWYSEZ-ZRUFSTJUSA-N 1 0 208.305 0.901 10 0 BCAERO C[C@@H](O)C[N@@H+]1CCN(Cc2ncc[nH]2)C[C@H]1C ZINC000111227816 383842513 /nfs/dbraw/zinc/84/25/13/383842513.db2.gz BMIJCIMYAREFKQ-GHMZBOCLSA-N 1 0 238.335 0.297 10 0 BCAERO CCN1CCO[C@@H](C[NH3+])[C@@H]1c1cnn(C)c1 ZINC000069797606 383845333 /nfs/dbraw/zinc/84/53/33/383845333.db2.gz MOAMHZRMACVAMG-QWRGUYRKSA-N 1 0 224.308 0.141 10 0 BCAERO CCOC(=O)[C@@]1(N)CC[N@@H+]2CCC[C@@H]2C1 ZINC000156498935 383879919 /nfs/dbraw/zinc/87/99/19/383879919.db2.gz LKZKGZYEHXTESO-MWLCHTKSSA-N 1 0 212.293 0.505 10 0 BCAERO CC[C@H]1COCCN1C(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000234066759 383855759 /nfs/dbraw/zinc/85/57/59/383855759.db2.gz FOFJSQFZFNOTFJ-OUAUKWLOSA-N 1 0 226.320 0.479 10 0 BCAERO CC[C@H]1CCN(C(=O)[C@@H]2C[NH2+]CCOC2)C1 ZINC000643734215 383875192 /nfs/dbraw/zinc/87/51/92/383875192.db2.gz YBRQGKWQHREWPR-WDEREUQCSA-N 1 0 226.320 0.481 10 0 BCAERO COC(=O)c1cc2ccccc2c[n+]1N ZINC000000162443 383835056 /nfs/dbraw/zinc/83/50/56/383835056.db2.gz BJLIMLXXEYDWLH-UHFFFAOYSA-O 1 0 203.221 0.628 10 0 BCAERO O=C(c1ncccc1O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000112022567 383891280 /nfs/dbraw/zinc/89/12/80/383891280.db2.gz FYLVOAOGOFFFQY-SNVBAGLBSA-N 1 0 247.298 0.707 10 0 BCAERO CC1CC(C(=O)NCCN2CC[NH2+]CC2)C1 ZINC000569360649 383895562 /nfs/dbraw/zinc/89/55/62/383895562.db2.gz HXHGNUCKAFYDQQ-UHFFFAOYSA-N 1 0 225.336 0.054 10 0 BCAERO O=S1(=O)CCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000068590502 384001950 /nfs/dbraw/zinc/00/19/50/384001950.db2.gz CLNYGCMPBRMPFA-IUCAKERBSA-N 1 0 203.307 0.563 10 0 BCAERO O=S1(=O)CCC[C@H]1C1CC[NH2+]CC1 ZINC000068590524 384002062 /nfs/dbraw/zinc/00/20/62/384002062.db2.gz CUVAAAFYMPZIIH-VIFPVBQESA-N 1 0 203.307 0.563 10 0 BCAERO Cc1n[nH]cc1C(=O)N1C[C@H]([NH+](C)C)[C@@H](C)C1 ZINC000089710056 383990026 /nfs/dbraw/zinc/99/00/26/383990026.db2.gz MPLGQGAOFYAOCU-KWQFWETISA-N 1 0 236.319 0.740 10 0 BCAERO O=C([C@H]1C[NH2+]CCOC1)N1CCCCCC1 ZINC000643614191 383993494 /nfs/dbraw/zinc/99/34/94/383993494.db2.gz MONSENWWAHEGDJ-NSHDSACASA-N 1 0 226.320 0.625 10 0 BCAERO COC[C@@]1(C(=O)Nc2nncs2)CCC[NH2+]1 ZINC000643614145 383994680 /nfs/dbraw/zinc/99/46/80/383994680.db2.gz LDPIHSPUIUZDQA-SECBINFHSA-N 1 0 242.304 0.245 10 0 BCAERO CN(Cc1ccccc1)C(=O)[C@H]1C[NH2+]CCOC1 ZINC000643614451 384004411 /nfs/dbraw/zinc/00/44/11/384004411.db2.gz YGHLNJVEKYLVIA-ZDUSSCGKSA-N 1 0 248.326 0.881 10 0 BCAERO CC(C)N(C)C(=O)[C@@H]1C[NH2+]CCOC1 ZINC000643615948 384007462 /nfs/dbraw/zinc/00/74/62/384007462.db2.gz CLJJBMZDRXXKPQ-SECBINFHSA-N 1 0 200.282 0.089 10 0 BCAERO [NH3+]CCc1c(=O)o[nH]c1-c1ccncc1 ZINC000004235045 384050468 /nfs/dbraw/zinc/05/04/68/384050468.db2.gz XBPMADNTBJPPRT-UHFFFAOYSA-N 1 0 205.217 0.531 10 0 BCAERO COC[C@@]1(C(=O)N[C@H](C)CCCO)CCC[NH2+]1 ZINC000643704279 384085013 /nfs/dbraw/zinc/08/50/13/384085013.db2.gz OJQDDRIUQUKLJD-ZYHUDNBSSA-N 1 0 244.335 0.032 10 0 BCAERO CN1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2O)C1=O ZINC000230264085 384061342 /nfs/dbraw/zinc/06/13/42/384061342.db2.gz FNANYPFMODPWGD-KXUCPTDWSA-N 1 0 212.293 0.110 10 0 BCAERO Clc1ccc(-n2ncc3c2CC[NH2+]C3)nn1 ZINC000115048561 384066753 /nfs/dbraw/zinc/06/67/53/384066753.db2.gz IOPIZCJGHUQZPV-UHFFFAOYSA-N 1 0 235.678 0.961 10 0 BCAERO C[C@@H](C(N)=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000090824821 384078498 /nfs/dbraw/zinc/07/84/98/384078498.db2.gz CPDKDKLQIFWDRC-VHSXEESVSA-N 1 0 211.309 0.030 10 0 BCAERO CC1(C)CCC[C@@H]1NC(=O)[C@H]1C[NH2+]CCOC1 ZINC000643704550 384096579 /nfs/dbraw/zinc/09/65/79/384096579.db2.gz VHBWTOGFZRTQJN-QWRGUYRKSA-N 1 0 240.347 0.917 10 0 BCAERO [NH3+]Cc1ccnc(Sc2nc[nH]n2)c1 ZINC000035720040 384100536 /nfs/dbraw/zinc/10/05/36/384100536.db2.gz WVYCHUQSNKSGJK-UHFFFAOYSA-N 1 0 207.262 0.810 10 0 BCAERO COC[C@@]1(C(=O)NC2CC(C)C2)CCC[NH2+]1 ZINC000643705240 384111574 /nfs/dbraw/zinc/11/15/74/384111574.db2.gz MBNUMQNQUNKKLN-RTYFJBAXSA-N 1 0 226.320 0.670 10 0 BCAERO C[NH+](C)CCOc1cn[nH]c(=O)c1Cl ZINC000091366149 384122494 /nfs/dbraw/zinc/12/24/94/384122494.db2.gz IUBSIJPXTBXXOI-UHFFFAOYSA-N 1 0 217.656 0.776 10 0 BCAERO COC[C@]1(C(=O)N2C[C@@H](C)[C@H](C)C2)CCC[NH2+]1 ZINC000643706172 384126843 /nfs/dbraw/zinc/12/68/43/384126843.db2.gz NVVZBBUCNZIFML-WZRBSPASSA-N 1 0 240.347 0.869 10 0 BCAERO Cn1cc([C@H]2CC[N@H+](CCCO)C2)cn1 ZINC000116318897 384129304 /nfs/dbraw/zinc/12/93/04/384129304.db2.gz DXDJAFAQMPTUNA-JTQLQIEISA-N 1 0 209.293 0.592 10 0 BCAERO COC[C@]1(C(=O)N2CCO[C@@H](C)C2)CCC[NH2+]1 ZINC000643624908 384130821 /nfs/dbraw/zinc/13/08/21/384130821.db2.gz GZEVKDXEMAZOOR-JQWIXIFHSA-N 1 0 242.319 0.002 10 0 BCAERO COC[C@@]1(C(=O)N2CCO[C@@H](C)C2)CCC[NH2+]1 ZINC000643624907 384131685 /nfs/dbraw/zinc/13/16/85/384131685.db2.gz GZEVKDXEMAZOOR-CMPLNLGQSA-N 1 0 242.319 0.002 10 0 BCAERO CC[NH2+][C@H](C)CNc1ccc2nccnc2n1 ZINC000387486369 384131838 /nfs/dbraw/zinc/13/18/38/384131838.db2.gz XPLDRZORZNTAME-SECBINFHSA-N 1 0 231.303 0.808 10 0 BCAERO O=C([C@@H]1CC12CC2)N1CC[C@H]2OCC[NH2+][C@@H]2C1 ZINC000648136002 384155862 /nfs/dbraw/zinc/15/58/62/384155862.db2.gz HGXQYHUCWCDIBJ-HBNTYKKESA-N 1 0 236.315 0.376 10 0 BCAERO C[NH+](C)C[C@@H]1CN(C(=O)c2ccco2)CCO1 ZINC000116788417 384156039 /nfs/dbraw/zinc/15/60/39/384156039.db2.gz UMEFSKAGFRJSGH-SNVBAGLBSA-N 1 0 238.287 0.682 10 0 BCAERO C[NH+](C)C[C@H]1CN(C(=O)c2ccncc2)CCO1 ZINC000116792411 384156106 /nfs/dbraw/zinc/15/61/06/384156106.db2.gz XXOMAIWMYSCOBU-LBPRGKRZSA-N 1 0 249.314 0.484 10 0 BCAERO CC[C@H](C)[C@H](C[NH2+][C@@H]1CCNC1=O)OC ZINC000642692120 384139802 /nfs/dbraw/zinc/13/98/02/384139802.db2.gz BQEXMSYVQFZSEH-AEJSXWLSSA-N 1 0 214.309 0.526 10 0 BCAERO Cc1ccc(C[NH2+]C(C)(CO)CO)cc1 ZINC000005968378 384140311 /nfs/dbraw/zinc/14/03/11/384140311.db2.gz UYVAGXNULSKTDA-UHFFFAOYSA-N 1 0 209.289 0.828 10 0 BCAERO C[NH+](C)[C@@H]1CCN(C(=O)c2cscn2)C1 ZINC000070916287 384141315 /nfs/dbraw/zinc/14/13/15/384141315.db2.gz QOLAYAGUAFMVTF-MRVPVSSYSA-N 1 0 225.317 0.919 10 0 BCAERO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)c3nc[nH]n3)C[C@@H]21 ZINC000230127842 259646099 /nfs/dbraw/zinc/64/60/99/259646099.db2.gz KNEFRWSUELXOCN-XHNCKOQMSA-N 1 0 235.291 0.004 10 0 BCAERO COC[C@H](C)C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000262649320 384145511 /nfs/dbraw/zinc/14/55/11/384145511.db2.gz WTSQVBOTHIUAQJ-DCAQKATOSA-N 1 0 228.336 0.903 10 0 BCAERO Cn1ccs/c1=N\C(=O)[C@H]1CCC[C@H]1[NH3+] ZINC000163227445 384179429 /nfs/dbraw/zinc/17/94/29/384179429.db2.gz LQEPMYMRJMEGMR-KCFBSYFESA-N 1 0 225.317 0.641 10 0 BCAERO Cn1ncc2c1ncnc2N1CC[C@](C)(C[NH3+])C1 ZINC000236110808 384184351 /nfs/dbraw/zinc/18/43/51/384184351.db2.gz PKCIAXKQNXVQPM-GFCCVEGCSA-N 1 0 246.318 0.538 10 0 BCAERO O=C1NCCC[C@@H]1[NH2+]Cc1cccnc1 ZINC000050394026 384202177 /nfs/dbraw/zinc/20/21/77/384202177.db2.gz SMAYCUSURMBUHZ-JTQLQIEISA-N 1 0 205.261 0.450 10 0 BCAERO CCC(CC)CNC(=O)[C@H]1C[NH2+]CCOC1 ZINC000643629082 384190920 /nfs/dbraw/zinc/19/09/20/384190920.db2.gz MGHPLIGAYSRECQ-NSHDSACASA-N 1 0 228.336 0.775 10 0 BCAERO O=C(NCCC(F)(F)F)[C@@H]1C[NH2+]CCOC1 ZINC000643629668 384191417 /nfs/dbraw/zinc/19/14/17/384191417.db2.gz VPEMBXCZZLOFIM-SSDOTTSWSA-N 1 0 240.225 0.291 10 0 BCAERO c1cc2c(ncnc2NC[C@H]2C[NH2+]CCOC2)[nH]1 ZINC000072171412 384198797 /nfs/dbraw/zinc/19/87/97/384198797.db2.gz YVYBPVHLDAFCIA-SECBINFHSA-N 1 0 247.302 0.606 10 0 BCAERO COC[C@]1(C(=O)N(C)C2CC2)CCC[NH2+]1 ZINC000643637607 384233251 /nfs/dbraw/zinc/23/32/51/384233251.db2.gz HNJGQSUERIJTGK-NSHDSACASA-N 1 0 212.293 0.376 10 0 BCAERO COCCCN(C)C(=O)[C@@H]1C[NH2+]C[C@@H]1C ZINC000082560131 384236859 /nfs/dbraw/zinc/23/68/59/384236859.db2.gz JFIURTCVWRJSTP-VHSXEESVSA-N 1 0 214.309 0.337 10 0 BCAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]Cc1cccn1C ZINC000282338675 384237920 /nfs/dbraw/zinc/23/79/20/384237920.db2.gz LYUAKHSFWJDBKZ-ONGXEEELSA-N 1 0 221.304 0.782 10 0 BCAERO C[C@H]1[C@H](O)CCC[N@@H+]1CCc1cnccn1 ZINC000402904491 384239131 /nfs/dbraw/zinc/23/91/31/384239131.db2.gz NCLJAGBOUFQALU-CMPLNLGQSA-N 1 0 221.304 0.864 10 0 BCAERO CS[C@@H](C)CNC(=O)C1([NH3+])CCOCC1 ZINC000163274099 384210977 /nfs/dbraw/zinc/21/09/77/384210977.db2.gz SYOQYLDQHXKJMD-QMMMGPOBSA-N 1 0 232.349 0.362 10 0 BCAERO C[N@@H+]1CCO[C@H]2CN(c3cccc(F)n3)C[C@@H]21 ZINC000153181963 384212387 /nfs/dbraw/zinc/21/23/87/384212387.db2.gz JPSKSZYASTWNNI-UWVGGRQHSA-N 1 0 237.278 0.740 10 0 BCAERO COC[C@H](C)C(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000262730313 384217531 /nfs/dbraw/zinc/21/75/31/384217531.db2.gz CHPKIGYXHVGYHU-GARJFASQSA-N 1 0 228.336 0.997 10 0 BCAERO C[C@H]1CN(C(=O)[C@H]2CCC[NH2+]2)CCS1 ZINC000157589907 384223711 /nfs/dbraw/zinc/22/37/11/384223711.db2.gz BRLWGQDMSFQOLV-DTWKUNHWSA-N 1 0 214.334 0.702 10 0 BCAERO CCC[C@H]([NH3+])C(=O)NCC(C)(C)OC ZINC000133418436 384245804 /nfs/dbraw/zinc/24/58/04/384245804.db2.gz SVPXOHUIEIGORK-QMMMGPOBSA-N 1 0 202.298 0.655 10 0 BCAERO Cc1cnn(CC[NH2+][C@H]2CO[C@H](C)C2)c1 ZINC000401909271 384246678 /nfs/dbraw/zinc/24/66/78/384246678.db2.gz JLQBCIWVFCFAGG-GHMZBOCLSA-N 1 0 209.293 0.959 10 0 BCAERO COC(=O)CCN1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000082699262 384256813 /nfs/dbraw/zinc/25/68/13/384256813.db2.gz NVSGMMMIQDNLHB-GHMZBOCLSA-N 1 0 226.320 0.718 10 0 BCAERO COCCCNC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000085009740 384261881 /nfs/dbraw/zinc/26/18/81/384261881.db2.gz ZMCUFKWRQNOASV-IUCAKERBSA-N 1 0 200.282 0.267 10 0 BCAERO C[C@H](C1CC1)N(C)C(=O)[C@H]1C[NH2+]CCOC1 ZINC000643640198 384262389 /nfs/dbraw/zinc/26/23/89/384262389.db2.gz FELGFDPEHDWIIV-KOLCDFICSA-N 1 0 226.320 0.479 10 0 BCAERO COC[C@]1(C(=O)Nc2cnn(C)c2)CCC[NH2+]1 ZINC000643641567 384267699 /nfs/dbraw/zinc/26/76/99/384267699.db2.gz FLDXDPMLBDVFLS-NSHDSACASA-N 1 0 238.291 0.127 10 0 BCAERO CS(=O)(=O)[C@H]1CCC[C@H](N2CC[NH2+]CC2)C1 ZINC000074942542 384315039 /nfs/dbraw/zinc/31/50/39/384315039.db2.gz PHOJRAQCSDJSFX-QWRGUYRKSA-N 1 0 246.376 0.247 10 0 BCAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)c1cncc(F)c1 ZINC000335550884 384320810 /nfs/dbraw/zinc/32/08/10/384320810.db2.gz CUDAEDNSJHRISE-GMSGAONNSA-N 1 0 223.251 0.782 10 0 BCAERO CC[C@H](CSC)NC(=O)[C@H]1CCC[NH2+]1 ZINC000163311624 384286526 /nfs/dbraw/zinc/28/65/26/384286526.db2.gz NRSLBXZMHAEXHT-RKDXNWHRSA-N 1 0 216.350 0.996 10 0 BCAERO COC[C@]1(C(=O)N2CCCOCC2)CCC[NH2+]1 ZINC000643645879 384290618 /nfs/dbraw/zinc/29/06/18/384290618.db2.gz NJBKZMXDIJNOBQ-LBPRGKRZSA-N 1 0 242.319 0.004 10 0 BCAERO O=S(=O)(c1ccnc(Cl)n1)[C@@H]1CC[NH2+]C1 ZINC000095070078 384335155 /nfs/dbraw/zinc/33/51/55/384335155.db2.gz QPERTXSMGRFRRX-ZCFIWIBFSA-N 1 0 247.707 0.266 10 0 BCAERO CN(CC(=O)c1ccco1)[C@@H]1CC[NH2+]C1 ZINC000095070691 384336423 /nfs/dbraw/zinc/33/64/23/384336423.db2.gz SLLVLUBUCKVMFA-SECBINFHSA-N 1 0 208.261 0.756 10 0 BCAERO O=[S@](c1cc(Cl)ncn1)[C@@H]1CC[NH2+]C1 ZINC000095070416 384336965 /nfs/dbraw/zinc/33/69/65/384336965.db2.gz ZLMHYQBGYDWIGI-RWBAJPLHSA-N 1 0 231.708 0.600 10 0 BCAERO O=[S@@](c1cc(Cl)ncn1)[C@H]1CCC[NH2+]C1 ZINC000095070423 384337570 /nfs/dbraw/zinc/33/75/70/384337570.db2.gz AANGGUUVPVDDDB-ZIDLFYJRSA-N 1 0 245.735 0.990 10 0 BCAERO CN(C[C@@H]1CCC[NH2+]1)C(=O)c1cnccn1 ZINC000095070902 384338242 /nfs/dbraw/zinc/33/82/42/384338242.db2.gz MDRDANTXDULYIF-VIFPVBQESA-N 1 0 220.276 0.301 10 0 BCAERO CN(C[C@H]1CC[NH2+]C1)C(=O)c1cnccn1 ZINC000095071183 384338467 /nfs/dbraw/zinc/33/84/67/384338467.db2.gz ZKDKMUJWDRVCPA-VIFPVBQESA-N 1 0 220.276 0.158 10 0 BCAERO CN(C[C@H]1CCC[NH2+]C1)c1cnccn1 ZINC000095071097 384339179 /nfs/dbraw/zinc/33/91/79/384339179.db2.gz PZSLUXXVMSUETQ-JTQLQIEISA-N 1 0 206.293 0.912 10 0 BCAERO C[NH2+][C@@H]1CCCN(Cc2nccnc2OC)C1 ZINC000095071509 384341178 /nfs/dbraw/zinc/34/11/78/384341178.db2.gz QSUUGXCNQPZJJI-SNVBAGLBSA-N 1 0 236.319 0.669 10 0 BCAERO CN(CC(=O)c1cnccn1)CC1CC[NH2+]CC1 ZINC000095071331 384341375 /nfs/dbraw/zinc/34/13/75/384341375.db2.gz YHABTAAUBQRYNS-UHFFFAOYSA-N 1 0 248.330 0.591 10 0 BCAERO CC[C@H]1CCCN1C(=O)[C@H]1C[NH2+]CCOC1 ZINC000643652398 384341403 /nfs/dbraw/zinc/34/14/03/384341403.db2.gz NTSKJHGNYJMVEP-QWRGUYRKSA-N 1 0 226.320 0.623 10 0 BCAERO COc1nccnc1COC[C@H]1CCC[NH2+]1 ZINC000095071646 384341797 /nfs/dbraw/zinc/34/17/97/384341797.db2.gz GOLMIAKSZNAXDY-SECBINFHSA-N 1 0 223.276 0.754 10 0 BCAERO CSc1nccnc1CN1CC[NH2+][C@@H](C)C1 ZINC000095071922 384342087 /nfs/dbraw/zinc/34/20/87/384342087.db2.gz ZLBKQOZSKVSGNR-VIFPVBQESA-N 1 0 238.360 0.992 10 0 BCAERO [NH3+]C[C@H]1CCCN1CC(=O)c1cnccn1 ZINC000095072622 384343023 /nfs/dbraw/zinc/34/30/23/384343023.db2.gz IZCZYFRRPMTCFK-SECBINFHSA-N 1 0 220.276 0.082 10 0 BCAERO [NH3+]C[C@@H]1CCCN1CC(=O)c1cnccn1 ZINC000095072623 384343442 /nfs/dbraw/zinc/34/34/42/384343442.db2.gz IZCZYFRRPMTCFK-VIFPVBQESA-N 1 0 220.276 0.082 10 0 BCAERO [NH3+]C[C@H]1CCN(c2cc(Cl)ncn2)C1 ZINC000095072663 384343446 /nfs/dbraw/zinc/34/34/46/384343446.db2.gz USFMNLDZYRTWNT-SSDOTTSWSA-N 1 0 212.684 0.915 10 0 BCAERO [NH3+][C@@H]1CCCC[C@H]1NCC(=O)c1cnccn1 ZINC000095072265 384343979 /nfs/dbraw/zinc/34/39/79/384343979.db2.gz HYTZHOSFAYNBGC-NXEZZACHSA-N 1 0 234.303 0.519 10 0 BCAERO O=C(CN[C@H]1CC[NH2+]C1)c1ccccn1 ZINC000095072755 384345054 /nfs/dbraw/zinc/34/50/54/384345054.db2.gz SUOOVOARUBSMJO-VIFPVBQESA-N 1 0 205.261 0.216 10 0 BCAERO O=C(CNC[C@H]1CCC[NH2+]1)c1cnccn1 ZINC000095072788 384345193 /nfs/dbraw/zinc/34/51/93/384345193.db2.gz QORCUFPMTWGEOA-SECBINFHSA-N 1 0 220.276 0.001 10 0 BCAERO [NH3+]C[C@H]1CCN(Cc2nccnc2Cl)C1 ZINC000095072731 384345464 /nfs/dbraw/zinc/34/54/64/384345464.db2.gz JGDKZACGOMABNL-MRVPVSSYSA-N 1 0 226.711 0.911 10 0 BCAERO O=S(=O)(C[C@H]1CCCC[NH2+]1)c1ccccn1 ZINC000095073142 384346048 /nfs/dbraw/zinc/34/60/48/384346048.db2.gz OYLDXZJNDDFETF-SNVBAGLBSA-N 1 0 240.328 0.997 10 0 BCAERO [NH3+]C[C@@H]1CCN(Cc2ccnc(Cl)n2)C1 ZINC000095072727 384346409 /nfs/dbraw/zinc/34/64/09/384346409.db2.gz XFPHYCZFTWHCCE-QMMMGPOBSA-N 1 0 226.711 0.911 10 0 BCAERO O=C(CNC[C@H]1CC[NH2+]C1)c1ccccn1 ZINC000095072810 384346529 /nfs/dbraw/zinc/34/65/29/384346529.db2.gz FBIMTBUJKUHRRL-JTQLQIEISA-N 1 0 219.288 0.463 10 0 BCAERO O=S(=O)(Cc1cncs1)C[C@H]1CC[NH2+]C1 ZINC000095073256 384347274 /nfs/dbraw/zinc/34/72/74/384347274.db2.gz PEDHNMCZZCGEAB-QMMMGPOBSA-N 1 0 246.357 0.667 10 0 BCAERO O=[S@@](C[C@H]1CCC[NH2+]1)c1ccccn1 ZINC000095073534 384347431 /nfs/dbraw/zinc/34/74/31/384347431.db2.gz TZEGAHHJGXRLBD-YMTOWFKASA-N 1 0 210.302 0.941 10 0 BCAERO O=[S@](c1ccccn1)[C@H]1CCC[NH2+]C1 ZINC000095073372 384348305 /nfs/dbraw/zinc/34/83/05/384348305.db2.gz HXADUYVWOXPATK-LKFCYVNXSA-N 1 0 210.302 0.941 10 0 BCAERO O=[S@](c1ncccn1)[C@H]1CCC[NH2+]C1 ZINC000095073388 384348872 /nfs/dbraw/zinc/34/88/72/384348872.db2.gz JBXDAHZPRGFCJE-RMLUDKJBSA-N 1 0 211.290 0.336 10 0 BCAERO O=[S@@](C[C@@H]1CC[NH2+]C1)c1ccccn1 ZINC000095073652 384349609 /nfs/dbraw/zinc/34/96/09/384349609.db2.gz WLUGWJLSLWZSMJ-YMTOWFKASA-N 1 0 210.302 0.799 10 0 BCAERO CNS(=O)(=O)[C@H](C)c1nccn1C ZINC000095075991 384350698 /nfs/dbraw/zinc/35/06/98/384350698.db2.gz WIGDWQVOFXVVMN-ZCFIWIBFSA-N 1 0 203.267 0.030 10 0 BCAERO O=[S@](C[C@H]1CC[NH2+]C1)c1nccs1 ZINC000095073675 384351122 /nfs/dbraw/zinc/35/11/22/384351122.db2.gz PYXZMJGZJPWIGX-CPFSXVBKSA-N 1 0 216.331 0.860 10 0 BCAERO CNS(=O)(=O)[C@@H](C)c1nccn1C ZINC000095075990 384351524 /nfs/dbraw/zinc/35/15/24/384351524.db2.gz WIGDWQVOFXVVMN-LURJTMIESA-N 1 0 203.267 0.030 10 0 BCAERO [NH3+][C@@H](CCO)C1CN(Cc2ccccc2)C1 ZINC000095077248 384353894 /nfs/dbraw/zinc/35/38/94/384353894.db2.gz XQEDXOQECLOYJX-ZDUSSCGKSA-N 1 0 220.316 0.828 10 0 BCAERO C[C@@H]1[C@@H](O)CCC[N@@H+]1CC(=O)N1CCCC1 ZINC000335596264 384364648 /nfs/dbraw/zinc/36/46/48/384364648.db2.gz HFCYMIYTXUERFA-MNOVXSKESA-N 1 0 226.320 0.454 10 0 BCAERO C[C@@H]1CC[C@H](CN2CC[C@@H]3OCC[NH2+][C@H]3C2)O1 ZINC000404215965 384368574 /nfs/dbraw/zinc/36/85/74/384368574.db2.gz YJDPXCYKLKDJAO-NDBYEHHHSA-N 1 0 240.347 0.617 10 0 BCAERO C[C@@H]1CC[C@H](CN2CC[C@@H]3OCC[NH2+][C@@H]3C2)O1 ZINC000404215962 384370021 /nfs/dbraw/zinc/37/00/21/384370021.db2.gz YJDPXCYKLKDJAO-LPWJVIDDSA-N 1 0 240.347 0.617 10 0 BCAERO C[C@@H](O)CN(CC[NH3+])C(=O)OC(C)(C)C ZINC000095348244 384372697 /nfs/dbraw/zinc/37/26/97/384372697.db2.gz VLXYEQXFLYGVFK-MRVPVSSYSA-N 1 0 218.297 0.563 10 0 BCAERO Cc1ccnc([S@](=O)[C@H]2CC[NH2+]C2)c1 ZINC000095069208 384331701 /nfs/dbraw/zinc/33/17/01/384331701.db2.gz NLLJUAIFKAYKIK-XPTSAGLGSA-N 1 0 210.302 0.860 10 0 BCAERO Cc1ccc([S@](=O)[C@H]2CCC[NH2+]C2)nn1 ZINC000095069114 384331884 /nfs/dbraw/zinc/33/18/84/384331884.db2.gz JFEKGIAGWXUHJK-VFZGTOFNSA-N 1 0 225.317 0.645 10 0 BCAERO Cc1ccc([S@@](=O)[C@H]2CCC[NH2+]C2)nn1 ZINC000095069113 384331901 /nfs/dbraw/zinc/33/19/01/384331901.db2.gz JFEKGIAGWXUHJK-BJOHPYRUSA-N 1 0 225.317 0.645 10 0 BCAERO Cc1ccnc(S(=O)(=O)[C@H]2CCC[NH2+]C2)c1 ZINC000095069171 384332147 /nfs/dbraw/zinc/33/21/47/384332147.db2.gz XOIPBAMMHWIALP-JTQLQIEISA-N 1 0 240.328 0.916 10 0 BCAERO Cc1ccc([S@](=O)C[C@@H]2CCC[NH2+]C2)nn1 ZINC000095069126 384332180 /nfs/dbraw/zinc/33/21/80/384332180.db2.gz ANZNPEYVNFYCAH-HWPZZCPQSA-N 1 0 239.344 0.892 10 0 BCAERO Cc1ccc([S@@](=O)C2CC[NH2+]CC2)nn1 ZINC000095069115 384332206 /nfs/dbraw/zinc/33/22/06/384332206.db2.gz OJHBTGIORUAZEX-OAHLLOKOSA-N 1 0 225.317 0.645 10 0 BCAERO Cc1ccc([S@](=O)CC2CC[NH2+]CC2)nn1 ZINC000095069134 384332310 /nfs/dbraw/zinc/33/23/10/384332310.db2.gz ZNDWXEIXOQWNJM-INIZCTEOSA-N 1 0 239.344 0.892 10 0 BCAERO Cc1ccc([S@@](=O)C[C@@H]2CCC[NH2+]2)nn1 ZINC000095069121 384332511 /nfs/dbraw/zinc/33/25/11/384332511.db2.gz QKIAXLCKXDTWTN-BJOHPYRUSA-N 1 0 225.317 0.645 10 0 BCAERO Cc1cc(C)nc([S@@](=O)[C@@H]2CCC[NH2+]C2)n1 ZINC000095068874 384332742 /nfs/dbraw/zinc/33/27/42/384332742.db2.gz FKAADUISTFEGNT-QLJPJBMISA-N 1 0 239.344 0.953 10 0 BCAERO Cc1ccnc([S@@](=O)[C@@H]2CC[NH2+]C2)c1 ZINC000095069205 384332811 /nfs/dbraw/zinc/33/28/11/384332811.db2.gz NLLJUAIFKAYKIK-YMTOWFKASA-N 1 0 210.302 0.860 10 0 BCAERO Cc1ccnc([S@@](=O)C[C@@H]2CCC[NH2+]2)n1 ZINC000095069284 384332931 /nfs/dbraw/zinc/33/29/31/384332931.db2.gz UGDCLWSHDKYNDY-BJOHPYRUSA-N 1 0 225.317 0.645 10 0 BCAERO Cc1ccc([S@@](=O)[C@@H]2CC[NH2+]C2)nc1 ZINC000095069042 384332971 /nfs/dbraw/zinc/33/29/71/384332971.db2.gz KEOJTWNYMICBGK-YMTOWFKASA-N 1 0 210.302 0.860 10 0 BCAERO Cc1ccc([S@@](=O)C[C@H]2CCC[NH2+]C2)nn1 ZINC000095069127 384333059 /nfs/dbraw/zinc/33/30/59/384333059.db2.gz ANZNPEYVNFYCAH-MGPLVRAMSA-N 1 0 239.344 0.892 10 0 BCAERO O=[S@@](C[C@H]1CCC[NH2+]1)c1ccc(Cl)nn1 ZINC000095069958 384333798 /nfs/dbraw/zinc/33/37/98/384333798.db2.gz FWARZWVNYAILDN-KWKYVRJSSA-N 1 0 245.735 0.990 10 0 BCAERO COC[C@@H](C)CNC(=O)[C@@]1(COC)CCC[NH2+]1 ZINC000643660909 384406198 /nfs/dbraw/zinc/40/61/98/384406198.db2.gz HLLVHJBNWFGRJO-JQWIXIFHSA-N 1 0 244.335 0.154 10 0 BCAERO CC[C@@H]([NH3+])C[C@@H](N)C(=O)OC(C)(C)C ZINC000095930137 384409728 /nfs/dbraw/zinc/40/97/28/384409728.db2.gz BRSLWKWNVWIWSD-HTQZYQBOSA-N 1 0 202.298 0.783 10 0 BCAERO C[C@@H](Cc1ncccc1C(N)=O)N1CC[NH2+]CC1 ZINC000095935227 384414578 /nfs/dbraw/zinc/41/45/78/384414578.db2.gz SSXYSCWMKXAMKN-JTQLQIEISA-N 1 0 248.330 0.017 10 0 BCAERO Cc1nc(N)nc(N2CC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000302605382 384384055 /nfs/dbraw/zinc/38/40/55/384384055.db2.gz JUVOUFQCQHCJHG-SECBINFHSA-N 1 0 234.307 0.047 10 0 BCAERO CC[C@]1(C)CCN(C(=O)[C@H]2C[NH2+]CCOC2)C1 ZINC000643724944 384454992 /nfs/dbraw/zinc/45/49/92/384454992.db2.gz FJVBJCGRFMNYFW-WCQYABFASA-N 1 0 240.347 0.871 10 0 BCAERO CCOCCN(CC)C(=O)[C@H]1C[NH2+]CCOC1 ZINC000643664862 384429398 /nfs/dbraw/zinc/42/93/98/384429398.db2.gz IADIIFXIFGUMDR-NSHDSACASA-N 1 0 244.335 0.107 10 0 BCAERO C[C@@H](CCC1CC1)NC(=O)[C@@H]1C[NH2+]CCOC1 ZINC000643791734 384433751 /nfs/dbraw/zinc/43/37/51/384433751.db2.gz KQZDOMKCNCYIFQ-CMPLNLGQSA-N 1 0 240.347 0.917 10 0 BCAERO COCC[NH2+]CCNc1ccnc(C)n1 ZINC000215525983 384464949 /nfs/dbraw/zinc/46/49/49/384464949.db2.gz AAZAIFXJKJTIQF-UHFFFAOYSA-N 1 0 210.281 0.433 10 0 BCAERO CC[C@@H]1CCC[C@H]1NC(=O)[C@@H]1C[NH2+]CCOC1 ZINC000643726142 384475722 /nfs/dbraw/zinc/47/57/22/384475722.db2.gz JPBGQBCEDIHXBB-IJLUTSLNSA-N 1 0 240.347 0.917 10 0 BCAERO C[NH+](C)[C@@H]1CCN(Cc2ccc(CO)o2)C1 ZINC000161321448 384480409 /nfs/dbraw/zinc/48/04/09/384480409.db2.gz GWCSJQZDENGUPI-SNVBAGLBSA-N 1 0 224.304 0.908 10 0 BCAERO COC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCN1 ZINC000079062034 384483499 /nfs/dbraw/zinc/48/34/99/384483499.db2.gz SIXVZEDCLDOKBM-GFCCVEGCSA-N 1 0 234.299 0.633 10 0 BCAERO OC[C@@H]1C[NH+](C[C@@H]2Cc3ccccc32)C[C@H]1CO ZINC000528599663 384494563 /nfs/dbraw/zinc/49/45/63/384494563.db2.gz RKOJVPBGCFKXJJ-IHRRRGAJSA-N 1 0 247.338 0.859 10 0 BCAERO [NH3+]Cc1cn(CCC[C@@H]2CCOC2)nn1 ZINC000400599925 384513431 /nfs/dbraw/zinc/51/34/31/384513431.db2.gz CRGKBQBDAXCJCW-SECBINFHSA-N 1 0 210.281 0.554 10 0 BCAERO C[NH+](C)[C@H]1CCN(C(=O)CC[C@@H]2CCOC2)C1 ZINC000175979179 384522667 /nfs/dbraw/zinc/52/26/67/384522667.db2.gz XZHCBONDMMZOTF-NEPJUHHUSA-N 1 0 240.347 0.966 10 0 BCAERO C[C@H]([NH3+])[C@@H](N)C(=O)OCc1ccccc1 ZINC000137413205 384530795 /nfs/dbraw/zinc/53/07/95/384530795.db2.gz YHTSGFDJWKYMJK-WCBMZHEXSA-N 1 0 208.261 0.404 10 0 BCAERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)NCC(F)F ZINC000147778143 384530756 /nfs/dbraw/zinc/53/07/56/384530756.db2.gz MTWGGDADDWSFMR-NKWVEPMBSA-N 1 0 206.236 0.756 10 0 BCAERO COC(=O)c1ccc(CN2C[C@H]([NH3+])[C@@H](C)C2)nc1 ZINC000234572095 384542469 /nfs/dbraw/zinc/54/24/69/384542469.db2.gz JJUAEHROFTYDJQ-CABZTGNLSA-N 1 0 249.314 0.647 10 0 BCAERO [NH3+][C@@]1(CC(F)(F)F)CCS(=O)(=O)C1 ZINC000258239613 384552536 /nfs/dbraw/zinc/55/25/36/384552536.db2.gz GOYSYYYUOCGKMI-RXMQYKEDSA-N 1 0 217.212 0.455 10 0 BCAERO C[C@@H]([NH3+])CN1CCN(c2nccs2)CC1 ZINC000020072595 384572327 /nfs/dbraw/zinc/57/23/27/384572327.db2.gz AAIFSBHOGGWMPP-SECBINFHSA-N 1 0 226.349 0.612 10 0 BCAERO Cc1cnn(CCn2cc(C(C)(C)[NH3+])nn2)c1 ZINC000306005152 384566613 /nfs/dbraw/zinc/56/66/13/384566613.db2.gz HIEFLVBVFXGXOZ-UHFFFAOYSA-N 1 0 234.307 0.677 10 0 BCAERO Cc1ccccc1[C@H](C)[NH2+]CC(=O)NC(N)=O ZINC000042210015 384632436 /nfs/dbraw/zinc/63/24/36/384632436.db2.gz XVOYXEBINDUOAT-VIFPVBQESA-N 1 0 235.287 0.841 10 0 BCAERO [NH3+][C@@H]1CCN(CC(=O)c2cccs2)C1 ZINC000050242250 384609705 /nfs/dbraw/zinc/60/97/05/384609705.db2.gz KILMXIPDJBGVCK-MRVPVSSYSA-N 1 0 210.302 0.964 10 0 BCAERO CCC[C@H]([NH3+])C(=O)NCCCCCC(=O)OC ZINC000236850805 384621936 /nfs/dbraw/zinc/62/19/36/384621936.db2.gz DGLPEHVLWWXWQF-JTQLQIEISA-N 1 0 244.335 0.963 10 0 BCAERO COC[C@H]([NH3+])C(=O)N[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403295541 384622861 /nfs/dbraw/zinc/62/28/61/384622861.db2.gz NRITVXCWAYJLII-QEYWKRMJSA-N 1 0 212.293 0.265 10 0 BCAERO COC[C@@H](C)C(=O)NC1CC[NH+](C)CC1 ZINC000103519654 384628437 /nfs/dbraw/zinc/62/84/37/384628437.db2.gz OEKKVWMFEXOXGK-SECBINFHSA-N 1 0 214.309 0.479 10 0 BCAERO COC[C@H](C)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000103435051 384631201 /nfs/dbraw/zinc/63/12/01/384631201.db2.gz FTKDYHDPCAEJGV-RYUDHWBXSA-N 1 0 240.347 0.966 10 0 BCAERO O=C(NC[C@@H]1CC[C@@H]2C[C@@H]2C1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000403176239 384596680 /nfs/dbraw/zinc/59/66/80/384596680.db2.gz MESNFVAEXIVLKC-RMPHRYRLSA-N 1 0 238.331 0.262 10 0 BCAERO Cc1cnn(CCNC(=O)[C@@H]([NH3+])C(C)(C)C)c1 ZINC000235804733 384596970 /nfs/dbraw/zinc/59/69/70/384596970.db2.gz UWKQCYMLQNTNSL-SNVBAGLBSA-N 1 0 238.335 0.681 10 0 BCAERO OCc1ccc(N2CC[NH2+]CC2)c(F)c1 ZINC000070609669 384598507 /nfs/dbraw/zinc/59/85/07/384598507.db2.gz BSCKAMCSXSSXDS-UHFFFAOYSA-N 1 0 210.252 0.728 10 0 BCAERO CC1(C)NC(=O)CC[C@H]1[NH2+]Cc1ccno1 ZINC000309778132 384601746 /nfs/dbraw/zinc/60/17/46/384601746.db2.gz MFOLZBZRBFMCGQ-SECBINFHSA-N 1 0 223.276 0.821 10 0 BCAERO CCC[C@H]([NH3+])C(=O)NCCNC(=O)C(C)(C)C ZINC000236855824 384665926 /nfs/dbraw/zinc/66/59/26/384665926.db2.gz BETYUXPSBPPLHW-VIFPVBQESA-N 1 0 243.351 0.392 10 0 BCAERO CCCCOC[C@@H](O)C[NH2+]CCC1CC(O)C1 ZINC000647535279 384652588 /nfs/dbraw/zinc/65/25/88/384652588.db2.gz BHPUEVHPYPCUNV-BPCQOVAHSA-N 1 0 245.363 0.915 10 0 BCAERO C[NH+](C)[C@H]1CCN(C(=O)c2ccncc2)C1 ZINC000082279008 384660533 /nfs/dbraw/zinc/66/05/33/384660533.db2.gz QGMKNHSBPFNXIJ-NSHDSACASA-N 1 0 219.288 0.858 10 0 BCAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)c1cccnc1 ZINC000335913184 384676865 /nfs/dbraw/zinc/67/68/65/384676865.db2.gz OKNUIFPUFLKLAK-SCZZXKLOSA-N 1 0 205.261 0.643 10 0 BCAERO Cc1n[nH]cc1C[NH2+]C[C@@H]1CN(C)CCO1 ZINC000082432916 384681896 /nfs/dbraw/zinc/68/18/96/384681896.db2.gz TVJRADJAJXSNKG-LLVKDONJSA-N 1 0 224.308 0.138 10 0 BCAERO COCC(C)(C)C[N@@H+]1CC[C@H]2OCCN[C@H]2C1 ZINC000647541265 384683992 /nfs/dbraw/zinc/68/39/92/384683992.db2.gz VMDZCBXOMPVIMM-NWDGAFQWSA-N 1 0 242.363 0.722 10 0 BCAERO O=C1CCCN1C[C@H](O)C[NH+]1CCCCC1 ZINC000111683148 384686451 /nfs/dbraw/zinc/68/64/51/384686451.db2.gz VWZGPBHCADIETH-LLVKDONJSA-N 1 0 226.320 0.456 10 0 BCAERO Cn1nccc1C[NH2+][C@H]1CCCC[C@H]1O ZINC000051997663 384706783 /nfs/dbraw/zinc/70/67/83/384706783.db2.gz FPPOOWINGYKGPL-WDEREUQCSA-N 1 0 209.293 0.813 10 0 BCAERO Cn1cc(NC(=O)C[C@@H]2CCC[NH2+]C2)cn1 ZINC000054306091 384735104 /nfs/dbraw/zinc/73/51/04/384735104.db2.gz FUMYFMYUEUKLBF-VIFPVBQESA-N 1 0 222.292 0.748 10 0 BCAERO C[C@@H]1C[C@@H](O)C[N@H+](CC(=O)NC2CCCC2)C1 ZINC000334826645 384741828 /nfs/dbraw/zinc/74/18/28/384741828.db2.gz NSUVIDZBYLGSMS-ZYHUDNBSSA-N 1 0 240.347 0.748 10 0 BCAERO COCC[N@H+](C)CCNC(=O)[C@H]1CC[C@@H](C)O1 ZINC000151752425 384749271 /nfs/dbraw/zinc/74/92/71/384749271.db2.gz BHVYSEGIPNPYTL-GHMZBOCLSA-N 1 0 244.335 0.248 10 0 BCAERO COc1nc(C)nc(NCCC[NH3+])c1C ZINC000107211523 384779643 /nfs/dbraw/zinc/77/96/43/384779643.db2.gz PFBGGPSJRKIBIU-UHFFFAOYSA-N 1 0 210.281 0.863 10 0 BCAERO [NH3+]CCN1CCC(c2ncccn2)CC1 ZINC000259233729 384764229 /nfs/dbraw/zinc/76/42/29/384764229.db2.gz PILKRZHDLCSNAF-UHFFFAOYSA-N 1 0 206.293 0.615 10 0 BCAERO CC(C)[C@@H]([NH3+])CC(=O)N1CC[C@@H]2OCC[C@@H]2C1 ZINC000648195689 384815796 /nfs/dbraw/zinc/81/57/96/384815796.db2.gz QHPUIOXICATSPK-WOPDTQHZSA-N 1 0 240.347 0.997 10 0 BCAERO C[NH+](C)C[C@@H]1CN(CC(F)(F)F)CCO1 ZINC000105925806 384819457 /nfs/dbraw/zinc/81/94/57/384819457.db2.gz FBQYVYCHWDFCTC-MRVPVSSYSA-N 1 0 226.242 0.811 10 0 BCAERO COC[C@H](C)[NH2+][C@H]1CCc2nccn2C1 ZINC000375876891 384825571 /nfs/dbraw/zinc/82/55/71/384825571.db2.gz REMXPJPDNBSESZ-UWVGGRQHSA-N 1 0 209.293 0.822 10 0 BCAERO CC[C@H](C)CN(C)C(=O)[C@H]1C[NH2+]CCOC1 ZINC000643688877 384826272 /nfs/dbraw/zinc/82/62/72/384826272.db2.gz MRURSMOWBKACHV-QWRGUYRKSA-N 1 0 228.336 0.727 10 0 BCAERO C[C@H]1CCCN1C(=O)[C@@H]1C[NH2+]CCOC1 ZINC000643688671 384826814 /nfs/dbraw/zinc/82/68/14/384826814.db2.gz GJQVVDPZHWSSIJ-VHSXEESVSA-N 1 0 212.293 0.233 10 0 BCAERO COC[C@]1(C(=O)N[C@@H]2CO[C@@H](C)C2)CCC[NH2+]1 ZINC000648204595 384838021 /nfs/dbraw/zinc/83/80/21/384838021.db2.gz BOFBKLYBBLHVMF-NHCYSSNCSA-N 1 0 242.319 0.049 10 0 BCAERO Cc1c(C[NH2+]C[C@@H]2CCCN2C)cnn1C ZINC000126223143 384781189 /nfs/dbraw/zinc/78/11/89/384781189.db2.gz PVPDTHAJNGLJRE-LBPRGKRZSA-N 1 0 222.336 0.912 10 0 BCAERO CC[C@H]([NH2+][C@@H]1CCc2nccn2C1)C(N)=O ZINC000310022745 384789543 /nfs/dbraw/zinc/78/95/43/384789543.db2.gz OCYHWLIGXGHNCT-BDAKNGLRSA-N 1 0 222.292 0.051 10 0 BCAERO [NH3+]Cc1cc(Sc2nc[nH]n2)ccn1 ZINC000061812269 384790413 /nfs/dbraw/zinc/79/04/13/384790413.db2.gz ORHZOYSRSWTBAK-UHFFFAOYSA-N 1 0 207.262 0.810 10 0 BCAERO Cc1ccc([C@H](C)[NH2+]C(CO)CO)cc1 ZINC000083691496 384792793 /nfs/dbraw/zinc/79/27/93/384792793.db2.gz PAZSJCWQGAGAJF-JTQLQIEISA-N 1 0 209.289 0.999 10 0 BCAERO CC[C@H]1CCCC[C@@H]1[NH2+]C(CO)CO ZINC000083691387 384793996 /nfs/dbraw/zinc/79/39/96/384793996.db2.gz MBKDPFWDEKGFCY-ONGXEEELSA-N 1 0 201.310 0.898 10 0 BCAERO C[C@H](CNC(=O)[C@H]1C[C@@H](O)C[NH2+]1)CC(F)F ZINC000648193564 384809739 /nfs/dbraw/zinc/80/97/39/384809739.db2.gz FAUWNUYNJXRCGA-XLPZGREQSA-N 1 0 236.262 0.117 10 0 BCAERO C[NH+](C)[C@@H]1CCN(C(=O)[C@H](O)c2ccccc2)C1 ZINC000174584486 384812727 /nfs/dbraw/zinc/81/27/27/384812727.db2.gz NYLWYLUIJFIDRI-CHWSQXEVSA-N 1 0 248.326 0.883 10 0 BCAERO C[NH+](C)[C@H]1CCN(C(=O)[C@H](O)c2ccccc2)C1 ZINC000174584496 384813302 /nfs/dbraw/zinc/81/33/02/384813302.db2.gz NYLWYLUIJFIDRI-QWHCGFSZSA-N 1 0 248.326 0.883 10 0 BCAERO C[NH+](C)CC(=O)N1CC[C@H](Oc2cccnc2)C1 ZINC000119605887 384887686 /nfs/dbraw/zinc/88/76/86/384887686.db2.gz FCVREJTXLXDFNF-LBPRGKRZSA-N 1 0 249.314 0.623 10 0 BCAERO [NH3+][C@@H]1CC[C@@H](C(=O)NCc2cc[nH]n2)C1 ZINC000085011976 384838473 /nfs/dbraw/zinc/83/84/73/384838473.db2.gz GOIBEVJRHXDAAI-HTQZYQBOSA-N 1 0 208.265 0.153 10 0 BCAERO [NH3+][C@H]1CC[C@H](C(=O)NCc2cc[nH]n2)C1 ZINC000085011974 384839047 /nfs/dbraw/zinc/83/90/47/384839047.db2.gz GOIBEVJRHXDAAI-YUMQZZPRSA-N 1 0 208.265 0.153 10 0 BCAERO COC[C@H](C)[NH2+][C@H]1CCC(=O)NC1(C)C ZINC000336755664 384840145 /nfs/dbraw/zinc/84/01/45/384840145.db2.gz IBGKVKQICWMHOT-IUCAKERBSA-N 1 0 214.309 0.668 10 0 BCAERO Cc1oncc1C[NH2+][C@H]1CCC(=O)N[C@@H]1C ZINC000336756225 384843971 /nfs/dbraw/zinc/84/39/71/384843971.db2.gz YJZDUBUZCRMPMT-XCBNKYQSSA-N 1 0 223.276 0.740 10 0 BCAERO CC(C)CCC(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000335060973 384844392 /nfs/dbraw/zinc/84/43/92/384844392.db2.gz JBJMPHMVWXLOOS-WDEREUQCSA-N 1 0 226.320 0.622 10 0 BCAERO CCC[C@@H](O)CNC(=O)[C@@]1(COC)CCC[NH2+]1 ZINC000643691269 384852207 /nfs/dbraw/zinc/85/22/07/384852207.db2.gz XHOKOOORQDHPOP-PWSUYJOCSA-N 1 0 244.335 0.032 10 0 BCAERO CO[C@H]1C[C@@H](CO)[N@H+](CCCn2ccnc2)C1 ZINC000310140547 384854052 /nfs/dbraw/zinc/85/40/52/384854052.db2.gz MXPXWRUJIKSCMH-RYUDHWBXSA-N 1 0 239.319 0.355 10 0 BCAERO Nn1cnnc1SCC1CC[NH2+]CC1 ZINC000043498257 384855213 /nfs/dbraw/zinc/85/52/13/384855213.db2.gz QGCLXNOGWGCKDA-UHFFFAOYSA-N 1 0 213.310 0.084 10 0 BCAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)CC[C@@H]1CCOC1 ZINC000401552527 384860116 /nfs/dbraw/zinc/86/01/16/384860116.db2.gz JCCDICWIPLFNIE-MXWKQRLJSA-N 1 0 226.320 0.751 10 0 BCAERO CC[N@@H+]1CCC[C@H]1CN(C)CC(=O)NC ZINC000175336928 384895410 /nfs/dbraw/zinc/89/54/10/384895410.db2.gz IWOQIVJWJYFNHR-JTQLQIEISA-N 1 0 213.325 0.149 10 0 BCAERO CCCNC(=O)CN(C)C[C@@H]1CCC[N@@H+]1CC ZINC000175344804 384896541 /nfs/dbraw/zinc/89/65/41/384896541.db2.gz UZBVGBMTVMTPOI-LBPRGKRZSA-N 1 0 241.379 0.929 10 0 BCAERO Cc1nccc(N2CC[C@H]3OCC[NH2+][C@@H]3C2)n1 ZINC000404081449 384897248 /nfs/dbraw/zinc/89/72/48/384897248.db2.gz SMWAOQFOEMREFA-GHMZBOCLSA-N 1 0 234.303 0.352 10 0 BCAERO CCNC(=O)CN(C)C[C@@H]1CCC[N@@H+]1CC ZINC000175353450 384898403 /nfs/dbraw/zinc/89/84/03/384898403.db2.gz ORZWUEVDDLQHSM-NSHDSACASA-N 1 0 227.352 0.539 10 0 BCAERO COC[C@@]1(C(=O)NC[C@@H]2CC2(C)C)CCC[NH2+]1 ZINC000643693288 384899042 /nfs/dbraw/zinc/89/90/42/384899042.db2.gz ITDPQTDSKJCDLM-GXFFZTMASA-N 1 0 240.347 0.917 10 0 BCAERO COC[C@]1(C(=O)NC[C@@H]2CC2(C)C)CCC[NH2+]1 ZINC000643693287 384899493 /nfs/dbraw/zinc/89/94/93/384899493.db2.gz ITDPQTDSKJCDLM-GWCFXTLKSA-N 1 0 240.347 0.917 10 0 BCAERO CC(C)[C@H](O)C[N@@H+]1C[C@H](C)C[C@H](O)C1 ZINC000307003523 384913953 /nfs/dbraw/zinc/91/39/53/384913953.db2.gz DIHUYBKUZKUUMF-OUAUKWLOSA-N 1 0 201.310 0.706 10 0 BCAERO CCC(C)(CC)NC(=O)[C@@H]1C[NH2+]CCOC1 ZINC000643696250 384919015 /nfs/dbraw/zinc/91/90/15/384919015.db2.gz NHQMSSFETBRQRM-SNVBAGLBSA-N 1 0 228.336 0.917 10 0 BCAERO COc1nc(C)cc(NC[C@H](C)C[NH3+])n1 ZINC000257648103 384921374 /nfs/dbraw/zinc/92/13/74/384921374.db2.gz JEUQHWGUTMZKDE-SSDOTTSWSA-N 1 0 210.281 0.800 10 0 BCAERO Cn1cncc1[C@@H]1[C@@H]([NH3+])CCC(=O)N1C ZINC000085169018 384924065 /nfs/dbraw/zinc/92/40/65/384924065.db2.gz DEXKKGSSFWGLCX-XVKPBYJWSA-N 1 0 208.265 0.041 10 0 BCAERO [NH3+][C@H](CO)[C@@H](O)c1ccc(F)c(F)c1 ZINC000085275985 384932340 /nfs/dbraw/zinc/93/23/40/384932340.db2.gz AGMZTHCXWXPCFR-BDAKNGLRSA-N 1 0 203.188 0.318 10 0 BCAERO Cn1ccc(NC(=O)N2CC[C@H]([NH+](C)C)C2)n1 ZINC000107053169 384945699 /nfs/dbraw/zinc/94/56/99/384945699.db2.gz YCBBDVSUKZCCRD-VIFPVBQESA-N 1 0 237.307 0.588 10 0 BCAERO CCN(CC)C(=O)N1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC000404110712 384972172 /nfs/dbraw/zinc/97/21/72/384972172.db2.gz AOWHLNXOLDEFLI-QWRGUYRKSA-N 1 0 241.335 0.511 10 0 BCAERO CC[N@H+](CCO)CCNc1nc(C)ns1 ZINC000302223609 384974682 /nfs/dbraw/zinc/97/46/82/384974682.db2.gz PUTCKEDWGBZPAU-UHFFFAOYSA-N 1 0 230.337 0.573 10 0 BCAERO C[C@@H](O)C1CCN(C(=O)C(C)(C)C[NH3+])CC1 ZINC000226332578 384981592 /nfs/dbraw/zinc/98/15/92/384981592.db2.gz BNQFBEIRVZXIHA-SECBINFHSA-N 1 0 228.336 0.591 10 0 BCAERO CC(C)[C@H](O)C[N@@H+]1CCC[C@H](O)[C@H]1C ZINC000307312987 384983401 /nfs/dbraw/zinc/98/34/01/384983401.db2.gz GNMCVVNMLCCACT-OUAUKWLOSA-N 1 0 201.310 0.849 10 0 BCAERO COC(=O)C[N@@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000307340111 384989821 /nfs/dbraw/zinc/98/98/21/384989821.db2.gz ITAILEFIIHBNST-GUBZILKMSA-N 1 0 213.277 0.252 10 0 BCAERO CCN(C[C@H]1CCCO1)C(=O)[C@H](C)C1C[NH2+]C1 ZINC000164446091 384992992 /nfs/dbraw/zinc/99/29/92/384992992.db2.gz LFAHLLHEFDKFRI-ZYHUDNBSSA-N 1 0 240.347 0.869 10 0 BCAERO COC[C@@H]1CCCN(C(=O)[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC000226340719 384993839 /nfs/dbraw/zinc/99/38/39/384993839.db2.gz OKMAZHMBNVIYRJ-GRYCIOLGSA-N 1 0 240.347 0.999 10 0 BCAERO C[NH2+][C@@]1(CO)CCN(Cc2ccccc2)C1 ZINC000038121181 384994296 /nfs/dbraw/zinc/99/42/96/384994296.db2.gz LQVPPVIXXKEWPB-ZDUSSCGKSA-N 1 0 220.316 0.843 10 0 BCAERO CNS(=O)(=O)CCC[NH2+]C1(C(C)C)CC1 ZINC000339502937 385004329 /nfs/dbraw/zinc/00/43/29/385004329.db2.gz VJQRZVFMPLTDNK-UHFFFAOYSA-N 1 0 234.365 0.704 10 0 BCAERO Cc1c(C[NH2+]CCc2cnn(C)c2)cnn1C ZINC000128175378 385009510 /nfs/dbraw/zinc/00/95/10/385009510.db2.gz XBKISPKSSHLIDQ-UHFFFAOYSA-N 1 0 233.319 0.794 10 0 BCAERO COC[C@H]([NH3+])C(=O)NCCc1csc(C)n1 ZINC000226417330 385014542 /nfs/dbraw/zinc/01/45/42/385014542.db2.gz VOJSADNCEOMNSX-VIFPVBQESA-N 1 0 243.332 0.084 10 0 BCAERO COC[C@]1(C(=O)N[C@H]2CCO[C@@H]2C)CCC[NH2+]1 ZINC000643768058 385048741 /nfs/dbraw/zinc/04/87/41/385048741.db2.gz PJMHGHAWTCVKFY-SCVCMEIPSA-N 1 0 242.319 0.049 10 0 BCAERO Cc1cc(CC(=O)N2CC[N@@H+]3CCC[C@H]3C2)[nH]n1 ZINC000176299325 385058557 /nfs/dbraw/zinc/05/85/57/385058557.db2.gz ONAWEDYLQNZFJI-LBPRGKRZSA-N 1 0 248.330 0.567 10 0 BCAERO [NH3+][C@@H]1CC[C@H]2CN(Cc3ccno3)C[C@@H]12 ZINC000309011639 385059965 /nfs/dbraw/zinc/05/99/65/385059965.db2.gz XHONWMVPTLQFTR-JMJZKYOTSA-N 1 0 207.277 0.844 10 0 BCAERO C[NH2+][C@@H]1CCCN(CCC(=O)OC)C1 ZINC000053204434 385072337 /nfs/dbraw/zinc/07/23/37/385072337.db2.gz UPMZKDOEBIMQMD-SECBINFHSA-N 1 0 200.282 0.233 10 0 BCAERO CCOC(C)(C)C[NH2+]CC1(O)CCOCC1 ZINC000644627579 385024145 /nfs/dbraw/zinc/02/41/45/385024145.db2.gz OHXBHOQKFYJKHO-UHFFFAOYSA-N 1 0 231.336 0.933 10 0 BCAERO CN(C(=O)[C@H]1C[NH2+]CCOC1)[C@H]1CCSC1 ZINC000643767671 385036798 /nfs/dbraw/zinc/03/67/98/385036798.db2.gz MJUJHWKFOWGCPI-UWVGGRQHSA-N 1 0 244.360 0.186 10 0 BCAERO CCN1CC[C@H]([NH2+]C[C@H](O)C(C)(C)C)C1=O ZINC000644642344 385047407 /nfs/dbraw/zinc/04/74/07/385047407.db2.gz GTAPPEVFLZTNHV-UWVGGRQHSA-N 1 0 228.336 0.604 10 0 BCAERO C[NH+](C)C[C@H]1CN(c2ccccn2)CCO1 ZINC000108952137 385118696 /nfs/dbraw/zinc/11/86/96/385118696.db2.gz HKFQWIVNGHYDEX-NSHDSACASA-N 1 0 221.304 0.848 10 0 BCAERO C[NH+](C)C[C@H]1CN(c2cccc(F)n2)CCO1 ZINC000108951915 385118988 /nfs/dbraw/zinc/11/89/88/385118988.db2.gz XNYZAFDSCSTDAW-JTQLQIEISA-N 1 0 239.294 0.988 10 0 BCAERO Cc1nocc1C(=O)NC[C@@H]1CC[NH2+]C1 ZINC000402681089 385122927 /nfs/dbraw/zinc/12/29/27/385122927.db2.gz VWKFOYBASDKAKL-MRVPVSSYSA-N 1 0 209.249 0.322 10 0 BCAERO C[NH2+][C@H]1CCCN(c2nccc(C)n2)C1 ZINC000061859644 385142633 /nfs/dbraw/zinc/14/26/33/385142633.db2.gz QXNHWKLMOGTYAX-JTQLQIEISA-N 1 0 206.293 0.973 10 0 BCAERO NC(=O)[C@@H](C[NH3+])Cc1cc(F)c(F)c(F)c1 ZINC000062706085 385182989 /nfs/dbraw/zinc/18/29/89/385182989.db2.gz NXLNHWUYVSERBX-ZCFIWIBFSA-N 1 0 232.205 0.707 10 0 BCAERO C[C@H]([NH2+][C@@H](CO)c1ccccc1)C(=O)N(C)C ZINC000063003030 385202499 /nfs/dbraw/zinc/20/24/99/385202499.db2.gz BIXWJBUBSWGYAL-JQWIXIFHSA-N 1 0 236.315 0.786 10 0 BCAERO C[NH+](C)[C@H]1CCN(C(=O)c2cc[nH]c2)C1 ZINC000109272414 385146561 /nfs/dbraw/zinc/14/65/61/385146561.db2.gz AAPPWHYABBEWEV-JTQLQIEISA-N 1 0 207.277 0.791 10 0 BCAERO CN(C[C@@H]1CCC[C@@H]1O)C(=O)[C@@]1(C)CCC[NH2+]1 ZINC000566249325 385170209 /nfs/dbraw/zinc/17/02/09/385170209.db2.gz QHOUZVJQPPHBNX-GMXVVIOVSA-N 1 0 240.347 0.748 10 0 BCAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)[C@@H]1CC12CCOCC2 ZINC000647044136 385178629 /nfs/dbraw/zinc/17/86/29/385178629.db2.gz CDQYDCJECPRQTK-VWYCJHECSA-N 1 0 238.331 0.751 10 0 BCAERO C[C@@H]([NH2+]CCN1CCOCC1)[C@@H]1CCCO1 ZINC000035735740 385233040 /nfs/dbraw/zinc/23/30/40/385233040.db2.gz IGOJATDYHOIWJF-NEPJUHHUSA-N 1 0 228.336 0.476 10 0 BCAERO COC(C)(C)[C@H](C)[NH2+]C[C@H]1CN(C)CCO1 ZINC000301027053 385236881 /nfs/dbraw/zinc/23/68/81/385236881.db2.gz SKJDSTOTFNECOE-QWRGUYRKSA-N 1 0 230.352 0.720 10 0 BCAERO C[C@H]1CN(C(=O)CCn2ccccc2=O)C[C@@H]1[NH3+] ZINC000647084506 385246495 /nfs/dbraw/zinc/24/64/95/385246495.db2.gz BJYIKSXRPOOGOK-QWRGUYRKSA-N 1 0 249.314 0.044 10 0 BCAERO C[C@@H]([NH2+][C@H](CO)c1ccccc1)C(=O)N(C)C ZINC000063003033 385203398 /nfs/dbraw/zinc/20/33/98/385203398.db2.gz BIXWJBUBSWGYAL-ZYHUDNBSSA-N 1 0 236.315 0.786 10 0 BCAERO C[C@@H]([NH3+])Cc1ccccc1S(N)(=O)=O ZINC000063024837 385205586 /nfs/dbraw/zinc/20/55/86/385205586.db2.gz MDOAFZIHWWWKFT-SSDOTTSWSA-N 1 0 214.290 0.224 10 0 BCAERO CC[C@H]1CO[C@@H](C)CN1C(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000234048163 385288717 /nfs/dbraw/zinc/28/87/17/385288717.db2.gz HUPARFQIMVWESN-NOOOWODRSA-N 1 0 240.347 0.868 10 0 BCAERO CN(CC(F)F)C(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000158021057 385329404 /nfs/dbraw/zinc/32/94/04/385329404.db2.gz PZJPNPZFOUVICN-NKWVEPMBSA-N 1 0 206.236 0.837 10 0 BCAERO CC(C)OCC(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000165004538 385334500 /nfs/dbraw/zinc/33/45/00/385334500.db2.gz PUMBZLKYBRVHLY-VHSXEESVSA-N 1 0 214.309 0.668 10 0 BCAERO Cn1ncc(NC2CC[NH2+]CC2)c(Cl)c1=O ZINC000167896848 385339401 /nfs/dbraw/zinc/33/94/01/385339401.db2.gz YMKSHZNBSAGVAZ-UHFFFAOYSA-N 1 0 242.710 0.598 10 0 BCAERO [NH3+][C@@H]1CC[C@H](C(=O)N[C@H]2CCSC2)C1 ZINC000299963225 385359759 /nfs/dbraw/zinc/35/97/59/385359759.db2.gz ZUUPMJKYYNNRSL-YIZRAAEISA-N 1 0 214.334 0.736 10 0 BCAERO C[C@H]1[C@H](O)CCC[N@@H+]1Cc1cnn(C)c1 ZINC000295000055 385366467 /nfs/dbraw/zinc/36/64/67/385366467.db2.gz LFHPJSKKHGRETF-GXSJLCMTSA-N 1 0 209.293 0.765 10 0 BCAERO C[C@@H](O)C[NH2+][C@@H]1CCC(=O)NC12CCC2 ZINC000309030921 385379764 /nfs/dbraw/zinc/37/97/64/385379764.db2.gz DRFKIPFEQBOVGG-RKDXNWHRSA-N 1 0 212.293 0.158 10 0 BCAERO CC(C)CC[N@@H+]1CCC[C@](O)(C(N)=O)C1 ZINC000309032548 385380953 /nfs/dbraw/zinc/38/09/53/385380953.db2.gz CPNQXYAPPDWUAO-LLVKDONJSA-N 1 0 214.309 0.345 10 0 BCAERO CCOC[C@H](O)C[N@@H+]1CC[C@H](CCO)C1 ZINC000161622034 385383555 /nfs/dbraw/zinc/38/35/55/385383555.db2.gz CNMMXWFILNFELA-GHMZBOCLSA-N 1 0 217.309 0.088 10 0 BCAERO C[C@]1(C(=O)N2CC[C@@]3(CCOC3)C2)CCC[NH2+]1 ZINC000644054895 385406963 /nfs/dbraw/zinc/40/69/63/385406963.db2.gz JGQYCEQVEWPUPW-CHWSQXEVSA-N 1 0 238.331 0.768 10 0 BCAERO CCOC(=O)CCN1CC[C@@H]([NH+](C)C)C1 ZINC000062966229 385410008 /nfs/dbraw/zinc/41/00/08/385410008.db2.gz SHUZUICBNOQOLM-SNVBAGLBSA-N 1 0 214.309 0.576 10 0 BCAERO Cn1ccc(CC(=O)N[C@@H]2CCC[C@H]2C[NH3+])n1 ZINC000644065127 385413023 /nfs/dbraw/zinc/41/30/23/385413023.db2.gz WVKZUXFJWDEGQF-GXSJLCMTSA-N 1 0 236.319 0.206 10 0 BCAERO CN(CCO)C(=O)N[C@H]1CC[C@H]([NH+](C)C)C1 ZINC000342102939 385438429 /nfs/dbraw/zinc/43/84/29/385438429.db2.gz UTUVZAWOQFQSHT-UWVGGRQHSA-N 1 0 229.324 0.103 10 0 BCAERO c1cnn(C[C@@H]2C[N@H+](CC3CC3)CCO2)c1 ZINC000156223802 385443037 /nfs/dbraw/zinc/44/30/37/385443037.db2.gz LBUHPNGUFPFBBV-LBPRGKRZSA-N 1 0 221.304 0.994 10 0 BCAERO CCCCN(C)S(=O)(=O)N1CC[C@@H]([NH3+])[C@H]1C ZINC000309170876 385448864 /nfs/dbraw/zinc/44/88/64/385448864.db2.gz AAJFHILINORGSF-NXEZZACHSA-N 1 0 249.380 0.385 10 0 BCAERO Cc1cc(C(=O)N2CC[C@H]([NH+](C)C)C2)no1 ZINC000170860770 385450665 /nfs/dbraw/zinc/45/06/65/385450665.db2.gz UZZYYUYHUSDVIA-VIFPVBQESA-N 1 0 223.276 0.759 10 0 BCAERO Cc1c(C(=O)N2CC[C@H]([NH+](C)C)C2)cnn1C ZINC000170856090 385450965 /nfs/dbraw/zinc/45/09/65/385450965.db2.gz VBMWFHGZWCFQPO-JTQLQIEISA-N 1 0 236.319 0.505 10 0 BCAERO C[NH+](C)[C@@H]1CCN(C(=O)c2csnn2)C1 ZINC000170866355 385451584 /nfs/dbraw/zinc/45/15/84/385451584.db2.gz OSTANKGOXGCRKJ-SSDOTTSWSA-N 1 0 226.305 0.314 10 0 BCAERO Cn1cc(CC(=O)N2CC[C@H]([NH+](C)C)C2)cn1 ZINC000170868101 385452528 /nfs/dbraw/zinc/45/25/28/385452528.db2.gz GWLDGNKBYUROHF-NSHDSACASA-N 1 0 236.319 0.125 10 0 BCAERO CN(CCO)C(=O)N[C@@H]1CC[C@@H]([NH+](C)C)C1 ZINC000342102935 385438037 /nfs/dbraw/zinc/43/80/37/385438037.db2.gz UTUVZAWOQFQSHT-NXEZZACHSA-N 1 0 229.324 0.103 10 0 BCAERO CCOC(=O)[C@]1(O)CC[N@H+](C)[C@H](C)C1 ZINC000156978207 385477808 /nfs/dbraw/zinc/47/78/08/385477808.db2.gz JVVSVYAQCCPGKE-SCZZXKLOSA-N 1 0 201.266 0.395 10 0 BCAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)Cc1cccnc1 ZINC000309219796 385486264 /nfs/dbraw/zinc/48/62/64/385486264.db2.gz QGHNVDONOVXQBH-KOLCDFICSA-N 1 0 219.288 0.572 10 0 BCAERO COc1cc(C)nc(N(C)CCC[NH3+])n1 ZINC000166453902 385501539 /nfs/dbraw/zinc/50/15/39/385501539.db2.gz BLLJLCUKLOJROH-UHFFFAOYSA-N 1 0 210.281 0.579 10 0 BCAERO CCCCCC[N@@H+]1CCC[C@@](O)(C(N)=O)C1 ZINC000309258996 385503854 /nfs/dbraw/zinc/50/38/54/385503854.db2.gz CWFPSEHWMNTRLK-LBPRGKRZSA-N 1 0 228.336 0.879 10 0 BCAERO CC[C@H](O)CN1CCO[C@H](C[NH+](C)C)C1 ZINC000106387095 385507535 /nfs/dbraw/zinc/50/75/35/385507535.db2.gz WCDANRMMEDKGPO-WDEREUQCSA-N 1 0 216.325 0.020 10 0 BCAERO CC[C@H](O)C[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000106387081 385507739 /nfs/dbraw/zinc/50/77/39/385507739.db2.gz POEQLHPMZPKWNN-QWRGUYRKSA-N 1 0 224.308 0.686 10 0 BCAERO C[C@H](Cn1cccn1)[NH2+]C[C@H]1CN(C)CCO1 ZINC000106388212 385508221 /nfs/dbraw/zinc/50/82/21/385508221.db2.gz SAMJOFXVIRNSES-NEPJUHHUSA-N 1 0 238.335 0.192 10 0 BCAERO CO[C@H]1C[C@H](CO)[N@H+](CCC(C)(C)OC)C1 ZINC000309285680 385509534 /nfs/dbraw/zinc/50/95/34/385509534.db2.gz OOZMBZLIAGZUMP-MNOVXSKESA-N 1 0 231.336 0.883 10 0 BCAERO CCOc1nccnc1N(C)CCC[NH3+] ZINC000643012099 385510479 /nfs/dbraw/zinc/51/04/79/385510479.db2.gz NEKPVEHXXKMNEW-UHFFFAOYSA-N 1 0 210.281 0.660 10 0 BCAERO [NH3+][C@H]1CC[C@@H](CNC(=O)C(F)(F)F)C1 ZINC000257701608 385488942 /nfs/dbraw/zinc/48/89/42/385488942.db2.gz YELSGQDUMHFYHE-RITPCOANSA-N 1 0 210.199 0.792 10 0 BCAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)CCn1ccccc1=O ZINC000644148560 385538317 /nfs/dbraw/zinc/53/83/17/385538317.db2.gz ZINYBQIDONEETQ-MNOVXSKESA-N 1 0 249.314 0.187 10 0 BCAERO C[NH2+]Cc1cn(C)c(Br)n1 ZINC000258114083 385539290 /nfs/dbraw/zinc/53/92/90/385539290.db2.gz JHAHZJOSWRRMIA-UHFFFAOYSA-N 1 0 204.071 0.902 10 0 BCAERO C=Cn1cc(C[NH2+][C@@H]2CCC(=O)N[C@H]2C)cn1 ZINC000282244958 385540213 /nfs/dbraw/zinc/54/02/13/385540213.db2.gz GHOCQVDARDTGEU-GXSJLCMTSA-N 1 0 234.303 0.740 10 0 BCAERO O[C@H]1C[NH2+]C[C@@H]1CNc1ccnc2cccnc21 ZINC000643040264 385543162 /nfs/dbraw/zinc/54/31/62/385543162.db2.gz NZSYEXLGFNCLHS-SKDRFNHKSA-N 1 0 244.298 0.044 10 0 BCAERO O[C@@H]1C[NH2+]C[C@H]1CNc1nccc2occc21 ZINC000643040050 385543389 /nfs/dbraw/zinc/54/33/89/385543389.db2.gz BDQOZDAMNYZFIL-WCBMZHEXSA-N 1 0 233.271 0.820 10 0 BCAERO CS(=O)(=O)CCCN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000082462887 385543945 /nfs/dbraw/zinc/54/39/45/385543945.db2.gz WDTIPCPAJSKZGL-LLVKDONJSA-N 1 0 246.376 0.201 10 0 BCAERO [NH3+]C1(C[C@H]2CCCS2(=O)=O)CCC1 ZINC000257987202 385522034 /nfs/dbraw/zinc/52/20/34/385522034.db2.gz LJMJHVCRDRFOMI-MRVPVSSYSA-N 1 0 203.307 0.835 10 0 BCAERO COc1ccc(C[NH2+][C@@H]2CCC(=O)N[C@@H]2C)cn1 ZINC000282214412 385524329 /nfs/dbraw/zinc/52/43/29/385524329.db2.gz DONNVQYXLJVOQI-MWLCHTKSSA-N 1 0 249.314 0.847 10 0 BCAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]C[C@@H](O)c1ccccc1 ZINC000282229898 385527128 /nfs/dbraw/zinc/52/71/28/385527128.db2.gz FKYJUQMNQZNSGH-WCFLWFBJSA-N 1 0 248.326 0.977 10 0 BCAERO CO[C@@H]1C[C@H](CO)N(c2cc[nH+]c(C)c2)C1 ZINC000309310257 385528490 /nfs/dbraw/zinc/52/84/90/385528490.db2.gz WTDPPWRTMYDISL-VXGBXAGGSA-N 1 0 222.288 0.976 10 0 BCAERO C[NH2+][C@H](C)C(=O)NC[C@@H]1CCCCO1 ZINC000054076696 385594900 /nfs/dbraw/zinc/59/49/00/385594900.db2.gz DJBAZFCWTTUVAN-BDAKNGLRSA-N 1 0 200.282 0.280 10 0 BCAERO C[NH2+][C@@H](C)C(=O)N1CCN2CCCC[C@@H]2C1 ZINC000054075167 385595205 /nfs/dbraw/zinc/59/52/05/385595205.db2.gz VSXQAZDAFREIJB-WDEREUQCSA-N 1 0 225.336 0.291 10 0 BCAERO Nc1ncccc1CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000250082203 385596326 /nfs/dbraw/zinc/59/63/26/385596326.db2.gz PVHGRIIXTDBQRT-LBPRGKRZSA-N 1 0 232.331 0.944 10 0 BCAERO Cc1c[nH]c(NC(=O)[C@@H]2C[NH2+]C[C@H]2C)n1 ZINC000309472451 385601007 /nfs/dbraw/zinc/60/10/07/385601007.db2.gz AWWLQGPMNXUAMZ-HTRCEHHLSA-N 1 0 208.265 0.512 10 0 BCAERO CO[C@@H]1[C@H](C)[C@H]([NH2+][C@H](C)CC(N)=O)C1(C)C ZINC000309474550 385602295 /nfs/dbraw/zinc/60/22/95/385602295.db2.gz RMNALISPGVDCNO-DEKFOEGESA-N 1 0 228.336 0.899 10 0 BCAERO OCCc1cccc([C@H]2C[NH2+]CCO2)c1 ZINC000259597205 385588728 /nfs/dbraw/zinc/58/87/28/385588728.db2.gz YVKLVHYXJUVEAI-GFCCVEGCSA-N 1 0 207.273 0.882 10 0 BCAERO CCN(C)C(=O)C[NH2+]Cc1cnn(C)c1C ZINC000229519891 385627861 /nfs/dbraw/zinc/62/78/61/385627861.db2.gz UCIXVMWKXGHYTE-UHFFFAOYSA-N 1 0 224.308 0.296 10 0 BCAERO CO[C@@]1(C[NH2+]CC[C@@H]2CCCO2)CCOC1 ZINC000159094450 385646515 /nfs/dbraw/zinc/64/65/15/385646515.db2.gz LKVIVHQXRYCHQS-NWDGAFQWSA-N 1 0 229.320 0.951 10 0 BCAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]CCCCF ZINC000336652182 385647208 /nfs/dbraw/zinc/64/72/08/385647208.db2.gz KLLZUFDTFDYQSN-DTWKUNHWSA-N 1 0 202.273 0.993 10 0 BCAERO [NH3+][C@@H]1CCCN(CCO[C@H]2CCCCO2)C1 ZINC000230644956 385745215 /nfs/dbraw/zinc/74/52/15/385745215.db2.gz BDAQYMXTRHAICD-NEPJUHHUSA-N 1 0 228.336 0.953 10 0 BCAERO CC[C@H]([NH3+])CNc1nc([C@@H](C)OC)ns1 ZINC000336698598 385753695 /nfs/dbraw/zinc/75/36/95/385753695.db2.gz OPYSSMCJNXRMFI-RQJHMYQMSA-N 1 0 230.337 0.817 10 0 BCAERO [NH3+]C[C@H](CO)c1ncnc2ccsc21 ZINC000063065310 385766775 /nfs/dbraw/zinc/76/67/75/385766775.db2.gz BHCFNSYDXWHXBN-ZCFIWIBFSA-N 1 0 209.274 0.726 10 0 BCAERO CC[C@H](Cn1cncn1)[NH2+][C@@H]1CCO[C@H]1C ZINC000336740745 385720795 /nfs/dbraw/zinc/72/07/95/385720795.db2.gz QKXKBLRDXMOXBL-HBNTYKKESA-N 1 0 224.308 0.824 10 0 BCAERO C[C@@H]1C[C@H]1NS(=O)(=O)C1CC[NH2+]CC1 ZINC000052295973 385722418 /nfs/dbraw/zinc/72/24/18/385722418.db2.gz WSEPJMZQHICJFU-VXNVDRBHSA-N 1 0 218.322 0.066 10 0 BCAERO CO[C@]1(C[N@@H+]2CC[C@@H](CCO)C2)CCOC1 ZINC000638087496 385816812 /nfs/dbraw/zinc/81/68/12/385816812.db2.gz BOWBXCFCDZKZQT-RYUDHWBXSA-N 1 0 229.320 0.496 10 0 BCAERO COC[C@H]([NH2+][C@@H]1CCC(=O)N[C@@H]1C)C1CC1 ZINC000309678373 385792509 /nfs/dbraw/zinc/79/25/09/385792509.db2.gz YRXZDRJHPULOCZ-IEBDPFPHSA-N 1 0 226.320 0.668 10 0 BCAERO COC[C@H]([NH3+])C(=O)N1CC[C@H]2CC[C@@H](C1)S2 ZINC000638537515 385793444 /nfs/dbraw/zinc/79/34/44/385793444.db2.gz ZVSDBJDBBNUUEG-UTLUCORTSA-N 1 0 244.360 0.457 10 0 BCAERO COC(=O)[C@H]1CCC[N@H+](CCO)CC1 ZINC000260233907 385796564 /nfs/dbraw/zinc/79/65/64/385796564.db2.gz GQBXAJFSRZXYDU-VIFPVBQESA-N 1 0 201.266 0.254 10 0 BCAERO Cn1nnc(Br)c1C1=CCC[NH2+]C1 ZINC000307127957 385928855 /nfs/dbraw/zinc/92/88/55/385928855.db2.gz OGFDRTQKNCJTSP-UHFFFAOYSA-N 1 0 243.108 0.954 10 0 BCAERO CCc1nnc(CN(C)CCC[NH3+])n1C ZINC000647847374 385897283 /nfs/dbraw/zinc/89/72/83/385897283.db2.gz NASTXZZZWMFTCH-UHFFFAOYSA-N 1 0 211.313 0.158 10 0 BCAERO C[C@@H]1C[C@@H](N2C[C@H]([NH3+])CC2=O)CS1 ZINC000307128344 385929255 /nfs/dbraw/zinc/92/92/55/385929255.db2.gz DYFQHDMPYYICHO-BWZBUEFSSA-N 1 0 200.307 0.440 10 0 BCAERO CCn1c(C)nnc1CN1CC[NH2+]CC1(C)C ZINC000647852294 385903201 /nfs/dbraw/zinc/90/32/01/385903201.db2.gz UDRQHKOLFSPWCS-UHFFFAOYSA-N 1 0 237.351 0.790 10 0 BCAERO Cn1nnc(Br)c1[C@H]1COC[C@@H]1[NH3+] ZINC000575529852 385860812 /nfs/dbraw/zinc/86/08/12/385860812.db2.gz FFQVCBYBKYTPLB-WHFBIAKZSA-N 1 0 247.096 0.019 10 0 BCAERO CC(C)[C@H]1OCC[C@@H]1CNC(=O)[C@@H](C)[NH3+] ZINC000121777724 385861760 /nfs/dbraw/zinc/86/17/60/385861760.db2.gz PIIQFDWUKLZRNO-OPRDCNLKSA-N 1 0 214.309 0.511 10 0 BCAERO CC(C)[C@H]1OCC[C@@H]1CNC(=O)[C@H](C)[NH3+] ZINC000121775674 385862018 /nfs/dbraw/zinc/86/20/18/385862018.db2.gz PIIQFDWUKLZRNO-IVZWLZJFSA-N 1 0 214.309 0.511 10 0 BCAERO CC[C@@H]1CN(C)CCC[N@@H+]1[C@@H](C)CO ZINC000307049342 385864272 /nfs/dbraw/zinc/86/42/72/385864272.db2.gz KIHIWWOXVHKBBA-WDEREUQCSA-N 1 0 200.326 0.783 10 0 BCAERO CC/C=C/CC[N@@H+]1C[C@@H](OC)C[C@H]1C(N)=O ZINC000284588239 385877191 /nfs/dbraw/zinc/87/71/91/385877191.db2.gz ITFBLOMYPMCCIZ-NNOMMRTBSA-N 1 0 226.320 0.917 10 0 BCAERO CCCN(CC(C)C)C(=O)[C@H]([NH3+])COC ZINC000309019642 385932246 /nfs/dbraw/zinc/93/22/46/385932246.db2.gz SZKLHZJBRIQTED-SNVBAGLBSA-N 1 0 216.325 0.855 10 0 BCAERO CCc1nnc(CN2CCC(C)([NH3+])CC2)n1C ZINC000647924183 385940779 /nfs/dbraw/zinc/94/07/79/385940779.db2.gz LVWUBWBUAGPALR-UHFFFAOYSA-N 1 0 237.351 0.691 10 0 BCAERO CCn1nncc1[C@]1(C[NH3+])CCCS1 ZINC000307671479 385973900 /nfs/dbraw/zinc/97/39/00/385973900.db2.gz UAPUAZZDFIQUHC-SECBINFHSA-N 1 0 212.322 0.979 10 0 BCAERO [NH3+][C@]1(Cc2cnsn2)CCSC1 ZINC000575564898 386057854 /nfs/dbraw/zinc/05/78/54/386057854.db2.gz JRNUUKXJGTZZNV-ZETCQYMHSA-N 1 0 201.320 0.915 10 0 BCAERO C[C@H]1CN(C(=O)c2ccncc2F)C[C@H]1C[NH3+] ZINC000638893664 386008744 /nfs/dbraw/zinc/00/87/44/386008744.db2.gz MGFURQAXYRNZLO-DTWKUNHWSA-N 1 0 237.278 0.888 10 0 BCAERO COc1ncccc1C(=O)N1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000638904792 386011267 /nfs/dbraw/zinc/01/12/67/386011267.db2.gz RTSZNUCIANMALS-UWVGGRQHSA-N 1 0 249.314 0.757 10 0 BCAERO COC(=O)CCN1C[C@@H](C)[C@@H]([NH+](C)C)C1 ZINC000124393066 386029222 /nfs/dbraw/zinc/02/92/22/386029222.db2.gz KYWKNIFNTZHUFR-ZJUUUORDSA-N 1 0 214.309 0.431 10 0 BCAERO C[NH+](C)[C@H]1CCN(C(=O)c2cccnc2F)C1 ZINC000234238979 386035700 /nfs/dbraw/zinc/03/57/00/386035700.db2.gz KTAFRFMIUTXYRE-VIFPVBQESA-N 1 0 237.278 0.997 10 0 BCAERO C[NH2+][C@H](C(N)=O)c1cc(C)c(O)c(C)c1 ZINC000037870001 386107019 /nfs/dbraw/zinc/10/70/19/386107019.db2.gz NKWLWOTWNXXQJN-VIFPVBQESA-N 1 0 208.261 0.755 10 0 BCAERO Cc1nc(N)nc(N2C[C@H](C)[C@H]([NH+](C)C)C2)n1 ZINC000310095049 386096700 /nfs/dbraw/zinc/09/67/00/386096700.db2.gz HQVHIHLWJXYQQH-IONNQARKSA-N 1 0 236.323 0.149 10 0 BCAERO COC(=O)C(C)(C)CNC(=O)[C@H]1CCC[NH2+]C1 ZINC000160809686 386157933 /nfs/dbraw/zinc/15/79/33/386157933.db2.gz OBSPALUNWNMTPQ-VIFPVBQESA-N 1 0 242.319 0.301 10 0 BCAERO CC[C@](C)(O)C[N@@H+]1CC[C@H](O)[C@H](C)C1 ZINC000164650435 386175677 /nfs/dbraw/zinc/17/56/77/386175677.db2.gz IVQXSNAOCHJSFU-VWYCJHECSA-N 1 0 201.310 0.850 10 0 BCAERO CCC[C@H](NC(=O)[C@H]1CCC[C@H]1C[NH3+])C(N)=O ZINC000310397940 386178710 /nfs/dbraw/zinc/17/87/10/386178710.db2.gz IFJZVASSKIJOQG-GUBZILKMSA-N 1 0 241.335 0.132 10 0 BCAERO CC[C@H](O)C[N@@H+]1C[C@H](C)[C@H](N(C)C)C1 ZINC000124748482 386140128 /nfs/dbraw/zinc/14/01/28/386140128.db2.gz HUHUVXFDFQMHAQ-GARJFASQSA-N 1 0 200.326 0.639 10 0 BCAERO Cc1cc(C[NH2+]C[C@@H]2CCC[C@@H]2O)nn1C ZINC000414354677 386140281 /nfs/dbraw/zinc/14/02/81/386140281.db2.gz AODLXXGTCGWCII-JQWIXIFHSA-N 1 0 223.320 0.979 10 0 BCAERO CCC[C@@H]1C[C@@H]1NC(=O)C[NH2+]CCOC ZINC000226379688 386237597 /nfs/dbraw/zinc/23/75/97/386237597.db2.gz JKDMPRFABFGIII-ZJUUUORDSA-N 1 0 214.309 0.527 10 0 BCAERO CCOc1cncc(N2C[C@H]3C[NH2+]C[C@H]3C2)n1 ZINC000090323094 386238303 /nfs/dbraw/zinc/23/83/03/386238303.db2.gz ORPLLXXHBJWHQO-AOOOYVTPSA-N 1 0 234.303 0.531 10 0 BCAERO O[C@@H]1CC[C@@H]2C[N@H+](CC3(O)CCC3)C[C@@H]2C1 ZINC000425522909 386324307 /nfs/dbraw/zinc/32/43/07/386324307.db2.gz BYGXNTDVRHUYSE-GRYCIOLGSA-N 1 0 225.332 0.994 10 0 BCAERO CC(C)C(=O)NCCNC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000091546838 386300306 /nfs/dbraw/zinc/30/03/06/386300306.db2.gz UZBYWYCXYAFDJE-ZJUUUORDSA-N 1 0 241.335 0.002 10 0 BCAERO CC(C)C(=O)NCCNC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000091546839 386300397 /nfs/dbraw/zinc/30/03/97/386300397.db2.gz UZBYWYCXYAFDJE-UWVGGRQHSA-N 1 0 241.335 0.002 10 0 BCAERO CC1(C)C[C@@]1([NH3+])[C@@H]1CCS(=O)(=O)C1 ZINC000575589378 386312759 /nfs/dbraw/zinc/31/27/59/386312759.db2.gz RUIDNOJAAMKPHK-VXNVDRBHSA-N 1 0 203.307 0.549 10 0 BCAERO COCCOCC[N@@H+]1C[C@H](O)CC[C@H]1C ZINC000399178783 386437469 /nfs/dbraw/zinc/43/74/69/386437469.db2.gz JBAHMLMRXHWNKA-GHMZBOCLSA-N 1 0 217.309 0.495 10 0 BCAERO CC(C)NC(=O)C[N@@H+]1C[C@H](O)CC[C@H]1C ZINC000399151415 386423101 /nfs/dbraw/zinc/42/31/01/386423101.db2.gz GGNKVLZDAFXRFL-NXEZZACHSA-N 1 0 214.309 0.356 10 0 BCAERO CCCNC(=O)C[N@@H+]1C[C@H](O)CC[C@@H]1C ZINC000399157812 386431046 /nfs/dbraw/zinc/43/10/46/386431046.db2.gz IWOSAWJUWNIMHL-VHSXEESVSA-N 1 0 214.309 0.358 10 0 BCAERO CN(CCOCC1CC1)C(=O)[C@H]1CCC[NH2+]C1 ZINC000094988548 386474158 /nfs/dbraw/zinc/47/41/58/386474158.db2.gz YSBJMUBCHXEJHM-LBPRGKRZSA-N 1 0 240.347 0.871 10 0 BCAERO CC(=O)c1cc(C(=O)N2CC[C@H]([NH3+])[C@H]2C)n(C)c1 ZINC000335432850 386488843 /nfs/dbraw/zinc/48/88/43/386488843.db2.gz DBBKDTGZLCYBTO-KCJUWKMLSA-N 1 0 249.314 0.789 10 0 BCAERO COC(=O)[C@@H]1CCCCN1C(=O)[C@@H]1CC[NH2+]C1 ZINC000062114711 386502046 /nfs/dbraw/zinc/50/20/46/386502046.db2.gz WFSVFYHKDBLRTQ-ZJUUUORDSA-N 1 0 240.303 0.150 10 0 BCAERO O=C([C@@H]1CCCC[NH2+]1)N1CCn2ccnc2C1 ZINC000062254704 386505852 /nfs/dbraw/zinc/50/58/52/386505852.db2.gz DTWIWCUKRGSDGP-JTQLQIEISA-N 1 0 234.303 0.367 10 0 BCAERO CO[C@H](C)C(=O)N1CCCC[C@H]1C[NH3+] ZINC000160923862 386587269 /nfs/dbraw/zinc/58/72/69/386587269.db2.gz CZSLULJUJGBOIP-BDAKNGLRSA-N 1 0 200.282 0.361 10 0 BCAERO CCOc1cncc(NCC[NH2+]CCOC)n1 ZINC000215509372 386588549 /nfs/dbraw/zinc/58/85/49/386588549.db2.gz BGEWOPPLSHNDGG-UHFFFAOYSA-N 1 0 240.307 0.523 10 0 BCAERO C[C@@]1(CN2CCn3ccnc3C2)CC[NH2+]C1 ZINC000062912546 386531815 /nfs/dbraw/zinc/53/18/15/386531815.db2.gz RBGGYAXSXZPNHP-GFCCVEGCSA-N 1 0 220.320 0.698 10 0 BCAERO [NH3+][C@@H]1COc2ccccc2S(=O)(=O)C1 ZINC000238856121 386536663 /nfs/dbraw/zinc/53/66/63/386536663.db2.gz UVZZGXNYNIAXEH-SSDOTTSWSA-N 1 0 213.258 0.180 10 0 BCAERO [NH3+]C[C@@H]1C[C@H](F)CN1Cc1ncccn1 ZINC000238857220 386537221 /nfs/dbraw/zinc/53/72/21/386537221.db2.gz YIPDFACMUHONGW-IUCAKERBSA-N 1 0 210.256 0.348 10 0 BCAERO C[C@@H]([NH3+])CCNC(=O)c1ccc2c(c1)OCO2 ZINC000063170635 386541930 /nfs/dbraw/zinc/54/19/30/386541930.db2.gz WUIASKDBXJUZGY-MRVPVSSYSA-N 1 0 236.271 0.882 10 0 BCAERO [NH3+][C@H]1C[C@@H](C(=O)NC[C@H]2CCC[C@@H]2O)C1 ZINC000648045673 386569683 /nfs/dbraw/zinc/56/96/83/386569683.db2.gz QXOKMCQZQZRSAF-IMSYWVGJSA-N 1 0 212.293 0.001 10 0 BCAERO COc1ccccc1CN1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000415140613 386640301 /nfs/dbraw/zinc/64/03/01/386640301.db2.gz KYXLKIDOWFPELO-GXTWGEPZSA-N 1 0 248.326 0.868 10 0 BCAERO COc1ccc(CN2CCO[C@@H]3C[NH2+]C[C@@H]32)cc1 ZINC000415142228 386640699 /nfs/dbraw/zinc/64/06/99/386640699.db2.gz PMZXCZFFDHHXOP-UONOGXRCSA-N 1 0 248.326 0.868 10 0 BCAERO C[C@@H](O)C1CCN(C(=O)[C@@H]2[NH2+]CC2(C)C)CC1 ZINC000648055241 386643781 /nfs/dbraw/zinc/64/37/81/386643781.db2.gz WPJPOXAAQUZHNH-KOLCDFICSA-N 1 0 240.347 0.604 10 0 BCAERO C[C@H]1CN(C(=O)c2cn3ccccc3n2)C[C@H]1[NH3+] ZINC000335513190 386649443 /nfs/dbraw/zinc/64/94/43/386649443.db2.gz WOYQBXFVHVINNA-VHSXEESVSA-N 1 0 244.298 0.754 10 0 BCAERO O=C1CCCN1C[C@H](O)C[NH+]1CCCC1 ZINC000336645019 386602250 /nfs/dbraw/zinc/60/22/50/386602250.db2.gz HIBMSKLXXUCGCM-SNVBAGLBSA-N 1 0 212.293 0.066 10 0 BCAERO C[N@H+](C[C@@H](O)CN1CCCC1=O)C1CC1 ZINC000336645872 386607428 /nfs/dbraw/zinc/60/74/28/386607428.db2.gz JEMUMSBBKYPUTD-SNVBAGLBSA-N 1 0 212.293 0.064 10 0 BCAERO C[N@H+](C[C@H](O)CN1CCCC1=O)C1CC1 ZINC000336645871 386607976 /nfs/dbraw/zinc/60/79/76/386607976.db2.gz JEMUMSBBKYPUTD-JTQLQIEISA-N 1 0 212.293 0.064 10 0 BCAERO CCc1nnc(CN2CC[C@H]3CC[C@@H](C2)[NH2+]3)n1C ZINC000520408388 386667402 /nfs/dbraw/zinc/66/74/02/386667402.db2.gz JLMLBZIIUWLOON-MNOVXSKESA-N 1 0 249.362 0.704 10 0 BCAERO [NH3+][C@H]1C[C@@H](C(=O)NC[C@H]2CCCC[C@H]2O)C1 ZINC000648087729 386677872 /nfs/dbraw/zinc/67/78/72/386677872.db2.gz CCCWCBDDTIXUTB-CHWFTXMASA-N 1 0 226.320 0.391 10 0 BCAERO CC(C)[C@H](O)C[N@H+](C)C[C@H]1CN(C)CCO1 ZINC000644993615 386658345 /nfs/dbraw/zinc/65/83/45/386658345.db2.gz DHUCBKIJBFJCAT-VXGBXAGGSA-N 1 0 230.352 0.266 10 0 BCAERO C[NH2+][C@@H]1CCN([C@@H]2CCS[C@@H]2C)C1=O ZINC000307525434 386701870 /nfs/dbraw/zinc/70/18/70/386701870.db2.gz FYLWWJDEFVWXOF-IWSPIJDZSA-N 1 0 214.334 0.701 10 0 BCAERO C[NH+](C)C1CCN(C2=NC(=O)CS2)CC1 ZINC000307525624 386702668 /nfs/dbraw/zinc/70/26/68/386702668.db2.gz JJKZEWBOTLRBFM-UHFFFAOYSA-N 1 0 227.333 0.642 10 0 BCAERO C[C@H](O)C[N@@H+]1CCN(Cc2ccccn2)C[C@H]1C ZINC000247397076 386712626 /nfs/dbraw/zinc/71/26/26/386712626.db2.gz XWQACLRIEHAWRS-OLZOCXBDSA-N 1 0 249.358 0.969 10 0 BCAERO [NH3+]CCN1CCCC[C@H]1c1cccnn1 ZINC000616616142 386742050 /nfs/dbraw/zinc/74/20/50/386742050.db2.gz JMZJHIFGMCHKIQ-NSHDSACASA-N 1 0 206.293 0.962 10 0 BCAERO C[N@@H+]1CC[C@H](CSC[C@H](O)CO)C1 ZINC000191170880 386771093 /nfs/dbraw/zinc/77/10/93/386771093.db2.gz IURJGRZTVXCFOC-DTWKUNHWSA-N 1 0 205.323 0.025 10 0 BCAERO [NH3+][C@@H]1CCO[C@@H]1CN1CCSCC1 ZINC000575450359 386785491 /nfs/dbraw/zinc/78/54/91/386785491.db2.gz LFWIJAATZBPZBA-RKDXNWHRSA-N 1 0 202.323 0.151 10 0 BCAERO CCOCCN1CC[N@H+](C[C@@H](C)O)C[C@@H]1CC ZINC000192979018 386806433 /nfs/dbraw/zinc/80/64/33/386806433.db2.gz DWJLQWYXRIKWHM-OLZOCXBDSA-N 1 0 244.379 0.800 10 0 BCAERO CC[C@@H]1C[N@H+](C[C@@H](C)O)CCN1CCOC ZINC000192978927 386807540 /nfs/dbraw/zinc/80/75/40/386807540.db2.gz DUMOOPOHGTUEQU-VXGBXAGGSA-N 1 0 230.352 0.410 10 0 BCAERO O[C@H](C1=CCCO1)[C@H]1C[NH2+]CCS1 ZINC000575453442 386812275 /nfs/dbraw/zinc/81/22/75/386812275.db2.gz GRUVPQGSIJBZFP-RKDXNWHRSA-N 1 0 201.291 0.357 10 0 BCAERO CC[NH2+][C@H](C)C(=O)N[C@H]1CCCOC1 ZINC000637981350 386835700 /nfs/dbraw/zinc/83/57/00/386835700.db2.gz FZXZTGCTDADLAS-BDAKNGLRSA-N 1 0 200.282 0.280 10 0 BCAERO c1cn([C@H]2CC[N@@H+](CC3CCOCC3)C2)nn1 ZINC000585379571 386853526 /nfs/dbraw/zinc/85/35/26/386853526.db2.gz MHTXDJNUZJIAEP-LBPRGKRZSA-N 1 0 236.319 0.952 10 0 BCAERO Cc1cnc(N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)nc1 ZINC000301826964 386882958 /nfs/dbraw/zinc/88/29/58/386882958.db2.gz FLRSHCFZKIGMQW-MNOVXSKESA-N 1 0 234.303 0.304 10 0 BCAERO CC(C)(C)[C@H](O)CNc1cc[nH+]cc1C(N)=O ZINC000302236947 386916591 /nfs/dbraw/zinc/91/65/91/386916591.db2.gz WAOSQPMEJJUJGB-SNVBAGLBSA-N 1 0 237.303 0.999 10 0 BCAERO C[C@H](O)CNC(=O)N[C@@H]1CC[C@H]([NH+](C)C)C1 ZINC000341622759 386937865 /nfs/dbraw/zinc/93/78/65/386937865.db2.gz VLTWVYQOWHJWFU-AEJSXWLSSA-N 1 0 229.324 0.149 10 0 BCAERO COCCOCC[N@@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000398708153 386956891 /nfs/dbraw/zinc/95/68/91/386956891.db2.gz NSNLKTVLQUASMB-AVGNSLFASA-N 1 0 243.347 0.742 10 0 BCAERO CN(C)C(=O)CC[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000398710571 386958353 /nfs/dbraw/zinc/95/83/53/386958353.db2.gz OOAMBXVWCGXSAH-SDDRHHMPSA-N 1 0 240.347 0.558 10 0 BCAERO [NH3+]C[C@H]1CCCN1C(=O)c1ccc2n[nH]nc2c1 ZINC000518976304 386965632 /nfs/dbraw/zinc/96/56/32/386965632.db2.gz NLUVTZJRSJDSTI-SECBINFHSA-N 1 0 245.286 0.521 10 0 BCAERO CNC(=O)CC[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000398732313 386975671 /nfs/dbraw/zinc/97/56/71/386975671.db2.gz LSUOXAZFPFKZIS-GARJFASQSA-N 1 0 226.320 0.215 10 0 BCAERO C[NH+](C)C[C@H]1CN(C(=O)C2CCCC2)CCO1 ZINC000116792375 386976043 /nfs/dbraw/zinc/97/60/43/386976043.db2.gz MTVIOXYVPRJNHX-LBPRGKRZSA-N 1 0 240.347 0.966 10 0 BCAERO C[NH+](C)C[C@H]1CN(C(=O)C(C)(C)C)CCO1 ZINC000116797646 386976069 /nfs/dbraw/zinc/97/60/69/386976069.db2.gz XRUHEDHJAPWGQH-JTQLQIEISA-N 1 0 228.336 0.822 10 0 BCAERO COC[C@@H]1CCCN1C(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000648100300 387000002 /nfs/dbraw/zinc/00/00/02/387000002.db2.gz OAHMEDACIIOTLL-SRVKXCTJSA-N 1 0 240.347 0.999 10 0 BCAERO OCCOCC[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000398820072 387000156 /nfs/dbraw/zinc/00/01/56/387000156.db2.gz YORUYJDMGZXNGS-QJPTWQEYSA-N 1 0 229.320 0.088 10 0 BCAERO [NH3+][C@@H]1CSC[C@H]1C[C@H]1COCCO1 ZINC000575461392 387030741 /nfs/dbraw/zinc/03/07/41/387030741.db2.gz DHWWIVVXXRYQQC-HRDYMLBCSA-N 1 0 203.307 0.482 10 0 BCAERO Cn1ncc(N[C@H]2CC[NH2+]C2)c1Cl ZINC000575459776 387037168 /nfs/dbraw/zinc/03/71/68/387037168.db2.gz UWPFVHHOVLICMX-LURJTMIESA-N 1 0 200.673 0.847 10 0 BCAERO Cn1ncc(N[C@@H]2CC[NH2+]C2)c1Cl ZINC000575459777 387037287 /nfs/dbraw/zinc/03/72/87/387037287.db2.gz UWPFVHHOVLICMX-ZCFIWIBFSA-N 1 0 200.673 0.847 10 0 BCAERO O=S1(=O)CCC[C@@H]1C[C@H]1C=CC[NH2+]1 ZINC000575460383 387037325 /nfs/dbraw/zinc/03/73/25/387037325.db2.gz JPAFXRMFRJEHMK-RKDXNWHRSA-N 1 0 201.291 0.482 10 0 BCAERO [NH3+]CC1(N2CCC(F)CC2)CSC1 ZINC000575462884 387042338 /nfs/dbraw/zinc/04/23/38/387042338.db2.gz HUUGBGHHZHHRFK-UHFFFAOYSA-N 1 0 204.314 0.865 10 0 BCAERO CC[C@@H](O)C[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000399058508 387051709 /nfs/dbraw/zinc/05/17/09/387051709.db2.gz NKFJULOTTWGLHS-NNYUYHANSA-N 1 0 213.321 0.850 10 0 BCAERO O[C@@H](c1cscn1)[C@@H]1C[NH2+]CCS1 ZINC000575458430 387025900 /nfs/dbraw/zinc/02/59/00/387025900.db2.gz SLVYZUMEZAPPDQ-YUMQZZPRSA-N 1 0 216.331 0.882 10 0 BCAERO Cn1nc(Br)cc1[C@@H](O)C1C[NH2+]C1 ZINC000575455981 387027090 /nfs/dbraw/zinc/02/70/90/387027090.db2.gz BEKSLONZTXBRMK-QMMMGPOBSA-N 1 0 246.108 0.435 10 0 BCAERO [NH3+][C@H]1CC[C@H](C(=O)NC2CSC2)C1 ZINC000575576926 387028034 /nfs/dbraw/zinc/02/80/34/387028034.db2.gz AUKRYCLTPHJTQR-BQBZGAKWSA-N 1 0 200.307 0.345 10 0 BCAERO [NH3+][C@@H]1CC[C@@H](C(=O)NC2CSC2)C1 ZINC000575576941 387028097 /nfs/dbraw/zinc/02/80/97/387028097.db2.gz AUKRYCLTPHJTQR-RNFRBKRXSA-N 1 0 200.307 0.345 10 0 BCAERO [NH3+][C@H]1CCC[C@H](C(=O)NCCn2cccn2)C1 ZINC000070577800 387070146 /nfs/dbraw/zinc/07/01/46/387070146.db2.gz ZBCMANPPANHGPK-QWRGUYRKSA-N 1 0 236.319 0.517 10 0 BCAERO Cc1noc(CNC(=O)[C@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000070576847 387070151 /nfs/dbraw/zinc/07/01/51/387070151.db2.gz WROYJUZPPQRPIS-DTWKUNHWSA-N 1 0 238.291 0.512 10 0 BCAERO [NH3+][C@H]1CCC[C@@H](C(=O)NCCn2cccn2)C1 ZINC000070577799 387070267 /nfs/dbraw/zinc/07/02/67/387070267.db2.gz ZBCMANPPANHGPK-MNOVXSKESA-N 1 0 236.319 0.517 10 0 BCAERO CNC(=O)CC(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000186273047 387091826 /nfs/dbraw/zinc/09/18/26/387091826.db2.gz IVLNWILISWGMOD-SNVBAGLBSA-N 1 0 243.351 0.215 10 0 BCAERO [NH3+][C@@H]1COC[C@@H]1[C@H](O)c1ccns1 ZINC000575471082 387105988 /nfs/dbraw/zinc/10/59/88/387105988.db2.gz VTEJJGKXPOOOGP-BBVRLYRLSA-N 1 0 200.263 0.150 10 0 BCAERO C[NH+](C)C[C@H]1CN(CCOCC2CC2)CCO1 ZINC000119298478 387114091 /nfs/dbraw/zinc/11/40/91/387114091.db2.gz DUXBMDCLDUSTAW-ZDUSSCGKSA-N 1 0 242.363 0.675 10 0 BCAERO C[C@H]([NH3+])[C@H]1CCN(c2ccnc(N(C)C)n2)C1 ZINC000127367574 387117081 /nfs/dbraw/zinc/11/70/81/387117081.db2.gz QHNDENSOYXTABU-UWVGGRQHSA-N 1 0 235.335 0.716 10 0 BCAERO CC(C)(C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)C(N)=O ZINC000228803870 387120372 /nfs/dbraw/zinc/12/03/72/387120372.db2.gz LKGYLMYSOHFNPX-AEJSXWLSSA-N 1 0 240.347 0.901 10 0 BCAERO Brc1ccc(N2CC[NH2+]CC2)nn1 ZINC000238003690 387157677 /nfs/dbraw/zinc/15/76/77/387157677.db2.gz ICMPQHJQRLZEPG-UHFFFAOYSA-N 1 0 243.108 0.649 10 0 BCAERO C[NH2+]C[C@@H](O)CN(C)C(=O)OC(C)(C)C ZINC000118534263 387158418 /nfs/dbraw/zinc/15/84/18/387158418.db2.gz CHNKIQHZJLEFSM-MRVPVSSYSA-N 1 0 218.297 0.434 10 0 BCAERO COCCN1C(=O)c2ccccc2[C@H]1C[NH3+] ZINC000536949463 387161357 /nfs/dbraw/zinc/16/13/57/387161357.db2.gz AHYOOTAIVSMPMY-LLVKDONJSA-N 1 0 220.272 0.789 10 0 BCAERO CN(C(N)=S)[C@@H]1C[N@H+](C)C(C)(C)C1 ZINC000575478670 387162922 /nfs/dbraw/zinc/16/29/22/387162922.db2.gz JBPIPMHAJBBEHD-ZETCQYMHSA-N 1 0 201.339 0.645 10 0 BCAERO CC(C)(C[NH3+])C(=O)N1COCC1(C)C ZINC000536952449 387165278 /nfs/dbraw/zinc/16/52/78/387165278.db2.gz DGPKMEFUROFDNZ-UHFFFAOYSA-N 1 0 200.282 0.566 10 0 BCAERO Cn1ccc([C@H](C[NH3+])C2(CO)CCC2)n1 ZINC000536955497 387168168 /nfs/dbraw/zinc/16/81/68/387168168.db2.gz ZUIREUUUVDJBOX-VIFPVBQESA-N 1 0 209.293 0.625 10 0 BCAERO Cc1ccncc1C(=O)NC[C@H]1CC[NH2+]C1 ZINC000336356288 387185546 /nfs/dbraw/zinc/18/55/46/387185546.db2.gz INXHFMODXJEROV-JTQLQIEISA-N 1 0 219.288 0.729 10 0 BCAERO C[NH+](C)[C@H]1CCN(C(=O)Cc2cccc(N)c2)C1 ZINC000062964300 387186204 /nfs/dbraw/zinc/18/62/04/387186204.db2.gz NATPQMJRDQGMOZ-ZDUSSCGKSA-N 1 0 247.342 0.974 10 0 BCAERO CC1(C)C[C@]1([NH3+])[C@@H]1CCS(=O)(=O)C1 ZINC000575589368 387187309 /nfs/dbraw/zinc/18/73/09/387187309.db2.gz RUIDNOJAAMKPHK-APPZFPTMSA-N 1 0 203.307 0.549 10 0 BCAERO C[C@H](O)CCC[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000062982446 387188643 /nfs/dbraw/zinc/18/86/43/387188643.db2.gz AUKTZPOCWZEEAW-STQMWFEESA-N 1 0 242.363 0.554 10 0 BCAERO CCOC(=O)[C@@H]1CC[C@H]2[NH2+]CCC[C@@H]2N1 ZINC000575440630 387134419 /nfs/dbraw/zinc/13/44/19/387134419.db2.gz YLGLLQOJEMREKA-UTLUCORTSA-N 1 0 212.293 0.422 10 0 BCAERO CO[C@@H]1CCN(C(=O)[C@]2(C)CCCC[NH2+]2)C1 ZINC000234818929 387318932 /nfs/dbraw/zinc/31/89/32/387318932.db2.gz LSRDFACCXNCJGI-PWSUYJOCSA-N 1 0 226.320 0.766 10 0 BCAERO CN1CC[NH+]=C1NCC1SCCS1 ZINC000575492193 387276524 /nfs/dbraw/zinc/27/65/24/387276524.db2.gz WJABJAIYVRXFPE-UHFFFAOYSA-N 1 0 217.363 0.684 10 0 BCAERO C[C@H]([NH2+][C@@H]1CCC(=O)N(C)C1=O)[C@H]1C[C@H]1C ZINC000321610113 387282820 /nfs/dbraw/zinc/28/28/20/387282820.db2.gz ZDZIMZPKBKEVTH-XFWSIPNHSA-N 1 0 224.304 0.768 10 0 BCAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]Cc1ccc(CO)cc1 ZINC000392990826 387306054 /nfs/dbraw/zinc/30/60/54/387306054.db2.gz ZACOOTRMTWYCGY-GXFFZTMASA-N 1 0 248.326 0.936 10 0 BCAERO CCN(CC)C(=O)C[NH2+][C@H]1CCC(=O)N[C@H]1C ZINC000393000870 387307584 /nfs/dbraw/zinc/30/75/84/387307584.db2.gz KPIUVLILMVNAFD-UWVGGRQHSA-N 1 0 241.335 0.112 10 0 BCAERO CCCCNC(=O)C[NH2+][C@H]1CCC(=O)N[C@@H]1C ZINC000393029259 387309185 /nfs/dbraw/zinc/30/91/85/387309185.db2.gz VITBWBGJMZVOMZ-ZJUUUORDSA-N 1 0 241.335 0.159 10 0 BCAERO CC(C)CNC(=O)C[NH2+][C@H]1CCC(=O)N[C@H]1C ZINC000393027991 387309400 /nfs/dbraw/zinc/30/94/00/387309400.db2.gz VBUDKKVBUHWJRX-UWVGGRQHSA-N 1 0 241.335 0.015 10 0 BCAERO CCCCNC(=O)C[NH2+][C@@H]1CCC(=O)N[C@H]1C ZINC000393029257 387309409 /nfs/dbraw/zinc/30/94/09/387309409.db2.gz VITBWBGJMZVOMZ-VHSXEESVSA-N 1 0 241.335 0.159 10 0 BCAERO [NH3+][C@@]1([C@H](O)c2ccsn2)CCOC1 ZINC000575504058 387360748 /nfs/dbraw/zinc/36/07/48/387360748.db2.gz CFHLEAQLPHSSAX-SFYZADRCSA-N 1 0 200.263 0.294 10 0 BCAERO [NH3+][C@H]1CCN(CC2SCCS2)C1=O ZINC000575497936 387325969 /nfs/dbraw/zinc/32/59/69/387325969.db2.gz PHVAAGYMHJFAMB-LURJTMIESA-N 1 0 218.347 0.352 10 0 BCAERO O=C(N[C@@H]1CCCOCC1)[C@H]1C[C@H](F)C[NH2+]1 ZINC000515058300 387329754 /nfs/dbraw/zinc/32/97/54/387329754.db2.gz RKDDGTBVMZXJCN-IVZWLZJFSA-N 1 0 230.283 0.372 10 0 BCAERO C[N@H+](CCn1cccn1)[C@H]1CCC[C@H]1O ZINC000352662034 387425238 /nfs/dbraw/zinc/42/52/38/387425238.db2.gz ZVPQAXIEMJPNMZ-WDEREUQCSA-N 1 0 209.293 0.728 10 0 BCAERO CC[C@@](C)([NH3+])C1CCS(=O)(=O)CC1 ZINC000575517138 387426605 /nfs/dbraw/zinc/42/66/05/387426605.db2.gz GFUROCXBXAZNDG-SECBINFHSA-N 1 0 205.323 0.939 10 0 BCAERO CCn1c(C)nnc1CN1CC[C@H]([NH3+])C[C@H]1C ZINC000515863091 387431045 /nfs/dbraw/zinc/43/10/45/387431045.db2.gz GSUJMYHRDMTQJY-KOLCDFICSA-N 1 0 237.351 0.918 10 0 BCAERO NC(=S)C[C@H]1CC[N@@H+]([C@@H]2CCOC2)C1 ZINC000306577720 387437041 /nfs/dbraw/zinc/43/70/41/387437041.db2.gz LMUHSECULUIQCX-RKDXNWHRSA-N 1 0 214.334 0.773 10 0 BCAERO C[C@@H]1C/C(=C/CS(C)(=O)=O)CC[NH2+]1 ZINC000575515102 387420517 /nfs/dbraw/zinc/42/05/17/387420517.db2.gz NUUGRYBXNBPBGM-SXPLAPADSA-N 1 0 203.307 0.729 10 0 BCAERO Cc1cc(CNC(=O)C[C@H]([NH3+])C(C)C)[nH]n1 ZINC000648079617 387507202 /nfs/dbraw/zinc/50/72/02/387507202.db2.gz FPTFXMNJULOTKN-JTQLQIEISA-N 1 0 224.308 0.708 10 0 BCAERO Cn1ncc(N2CC[C@H]2C[NH3+])c1Br ZINC000575527082 387534095 /nfs/dbraw/zinc/53/40/95/387534095.db2.gz COOBWQHRUYPJMH-LURJTMIESA-N 1 0 245.124 0.720 10 0 BCAERO CO[C@H]1CCN(C(=O)[C@@H]2CCC[C@H]2C[NH3+])C1 ZINC000648085305 387536139 /nfs/dbraw/zinc/53/61/39/387536139.db2.gz NEHAQAJGWAABQX-GARJFASQSA-N 1 0 226.320 0.609 10 0 BCAERO COc1ccc(C[N@@H+]2CC[C@H](CCO)C2)nn1 ZINC000310218122 387536478 /nfs/dbraw/zinc/53/64/78/387536478.db2.gz JRSKDWPSSHQOOM-SNVBAGLBSA-N 1 0 237.303 0.690 10 0 BCAERO Cn1c(Cl)ncc1[C@H]1COC[C@@H]1[NH3+] ZINC000575529922 387539842 /nfs/dbraw/zinc/53/98/42/387539842.db2.gz GNNPZVIVCMITIK-WDSKDSINSA-N 1 0 201.657 0.515 10 0 BCAERO C[NH+](C)CC(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000193553729 387489240 /nfs/dbraw/zinc/48/92/40/387489240.db2.gz JWMTUJQBNBGZHW-MNOVXSKESA-N 1 0 226.320 0.718 10 0 BCAERO CC[C@@H](COC)[NH2+]C[C@@H](C)N1CCOCC1 ZINC000123521321 387584323 /nfs/dbraw/zinc/58/43/23/387584323.db2.gz VULDKRNKUBWCDO-NEPJUHHUSA-N 1 0 230.352 0.722 10 0 BCAERO C[NH2+][C@H]1CCCN(C2CSC2)C1=O ZINC000575543730 387592710 /nfs/dbraw/zinc/59/27/10/387592710.db2.gz DEUGFYAOYMNKHC-QMMMGPOBSA-N 1 0 200.307 0.312 10 0 BCAERO O[C@H]1COCC[C@H]1[NH2+]Cc1ccncc1 ZINC000623765933 387592773 /nfs/dbraw/zinc/59/27/73/387592773.db2.gz ZJWVLOHOJBMALL-MNOVXSKESA-N 1 0 208.261 0.321 10 0 BCAERO CC1(C)CC[C@@H](CS(C)(=O)=O)[NH2+]C1 ZINC000575544333 387594252 /nfs/dbraw/zinc/59/42/52/387594252.db2.gz JBQSADXZEOCFFB-QMMMGPOBSA-N 1 0 205.323 0.809 10 0 BCAERO COC(=O)[C@H](C1CC1)N1C[C@@H](C)[C@@H]([NH+](C)C)C1 ZINC000124408162 387615106 /nfs/dbraw/zinc/61/51/06/387615106.db2.gz TZSSHZCZWOGCQV-USWWRNFRSA-N 1 0 240.347 0.820 10 0 BCAERO C[C@@H]1CC[C@@H]([NH3+])CN1C(=O)C(F)(F)F ZINC000575530892 387552025 /nfs/dbraw/zinc/55/20/25/387552025.db2.gz ILHWFWSWZKJSIT-PHDIDXHHSA-N 1 0 210.199 0.887 10 0 BCAERO COCC(C)(C)C[N@@H+]1CCO[C@H](CO)C1 ZINC000426414119 387567465 /nfs/dbraw/zinc/56/74/65/387567465.db2.gz AWFPYGVCLNHVJT-JTQLQIEISA-N 1 0 217.309 0.352 10 0 BCAERO C[C@@H]1C[C@@H]1NC(=O)[C@@H]1C[NH2+]CCS1 ZINC000575534904 387575233 /nfs/dbraw/zinc/57/52/33/387575233.db2.gz SQOBFYFXCNJWFW-CSMHCCOUSA-N 1 0 200.307 0.216 10 0 BCAERO COc1ccc(C[N@@H+]2C[C@H](O)C[C@@H]2CO)cc1 ZINC000376897887 387676465 /nfs/dbraw/zinc/67/64/65/387676465.db2.gz TYAJPVJEVOGZEO-VXGBXAGGSA-N 1 0 237.299 0.623 10 0 BCAERO [NH3+]C[C@@H]1CCCCN1C(=O)Cc1ccncc1 ZINC000044541273 387687038 /nfs/dbraw/zinc/68/70/38/387687038.db2.gz WTLMEWGULICGKV-LBPRGKRZSA-N 1 0 233.315 0.964 10 0 BCAERO Cc1c(C[NH2+]CCCn2ccnn2)cnn1C ZINC000126642574 387692979 /nfs/dbraw/zinc/69/29/79/387692979.db2.gz LRBUBJBMUUSHNS-UHFFFAOYSA-N 1 0 234.307 0.500 10 0 BCAERO Cc1nc(C[NH2+]CC2CC(O)C2)[nH]c1C ZINC000527819471 387743210 /nfs/dbraw/zinc/74/32/10/387743210.db2.gz IVBVWMYORIAESI-UHFFFAOYSA-N 1 0 209.293 0.887 10 0 BCAERO COC[C@H](O)CN1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000126867510 387697553 /nfs/dbraw/zinc/69/75/53/387697553.db2.gz RHUZIIWYMYRGHA-QJPTWQEYSA-N 1 0 228.336 0.162 10 0 BCAERO Cc1cnc(C[NH2+][C@H]2CCC(=O)N[C@@H]2C)cn1 ZINC000440943453 387713338 /nfs/dbraw/zinc/71/33/38/387713338.db2.gz QSYKGMRSAYXWQS-KOLCDFICSA-N 1 0 234.303 0.542 10 0 BCAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]CCN1CCCCC1 ZINC000440943767 387714247 /nfs/dbraw/zinc/71/42/47/387714247.db2.gz RKKVZEYNWXPIIG-NWDGAFQWSA-N 1 0 239.363 0.729 10 0 BCAERO Cn1c(Cl)cnc1CC1([NH3+])COC1 ZINC000575564796 387721063 /nfs/dbraw/zinc/72/10/63/387721063.db2.gz IHMPAGVCLNVKIF-UHFFFAOYSA-N 1 0 201.657 0.344 10 0 BCAERO C[C@H]1CSC[C@H]1[NH2+][C@@H]1COC[C@H]1O ZINC000306308622 387784593 /nfs/dbraw/zinc/78/45/93/387784593.db2.gz OMZHLZFNXDKVSG-JQCXWYLXSA-N 1 0 203.307 0.087 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N(C)CC[C@@H](C)O ZINC000157700053 387863811 /nfs/dbraw/zinc/86/38/11/387863811.db2.gz KRUJTFCOQKQZKL-BDAKNGLRSA-N 1 0 202.298 0.343 10 0 BCAERO O=C(c1ccon1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000194524542 387890889 /nfs/dbraw/zinc/89/08/89/387890889.db2.gz JPLHYUHVYBIDRQ-VIFPVBQESA-N 1 0 221.260 0.595 10 0 BCAERO C[C@@H](NC(=O)C(C)(C)[NH3+])[C@@H]1CCCO1 ZINC000040920719 387896157 /nfs/dbraw/zinc/89/61/57/387896157.db2.gz QIOVDYCLLOXGIY-SFYZADRCSA-N 1 0 200.282 0.407 10 0 BCAERO CC(=O)NCCC[N@@H+]1CCC[C@H](NC(C)=O)C1 ZINC000194385445 387879786 /nfs/dbraw/zinc/87/97/86/387879786.db2.gz GKKNDXQHEOAATA-LBPRGKRZSA-N 1 0 241.335 0.113 10 0 BCAERO Cc1ccoc1C(=O)NC[C@H]1CN(C)CCO1 ZINC000194628246 387887765 /nfs/dbraw/zinc/88/77/65/387887765.db2.gz CEXJTOFLOSLCGM-JTQLQIEISA-N 1 0 238.287 0.648 10 0 BCAERO CO[C@@H](C)CNC(=O)[C@]1(C)CCCC[NH2+]1 ZINC000223763072 387936114 /nfs/dbraw/zinc/93/61/14/387936114.db2.gz DVFJUVKZQNUISJ-ONGXEEELSA-N 1 0 214.309 0.670 10 0 BCAERO CN(C)C(=O)C[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000195506675 387919964 /nfs/dbraw/zinc/91/99/64/387919964.db2.gz NHEOQZLUVOXZCT-UHFFFAOYSA-N 1 0 236.319 0.677 10 0 BCAERO C[C@@H](C(N)=O)[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000195506408 387919994 /nfs/dbraw/zinc/91/99/94/387919994.db2.gz JCSLEVXWNOJJLY-QMMMGPOBSA-N 1 0 222.292 0.463 10 0 BCAERO O=C(Nc1ccc[nH]c1=O)[C@H]1CCC[NH2+]C1 ZINC000645810049 387961878 /nfs/dbraw/zinc/96/18/78/387961878.db2.gz WOAMJMWONZJALH-QMMMGPOBSA-N 1 0 221.260 0.725 10 0 BCAERO CC[C@@](C)(C[NH2+]C[C@@H]1CN(C)CCO1)OC ZINC000322685450 387967666 /nfs/dbraw/zinc/96/76/66/387967666.db2.gz JGQDRSZSYVJEKG-NEPJUHHUSA-N 1 0 230.352 0.722 10 0 BCAERO O=C1NCC[C@@H]1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000245706974 387975826 /nfs/dbraw/zinc/97/58/26/387975826.db2.gz XYBZQXVYZCFESU-QWRGUYRKSA-N 1 0 223.320 0.045 10 0 BCAERO Cc1cc(C(=O)N[C@@H]2CC[C@@H]([NH+](C)C)C2)cnn1 ZINC000337153398 177806438 /nfs/dbraw/zinc/80/64/38/177806438.db2.gz NHAKHQCACUWPSX-VXGBXAGGSA-N 1 0 248.330 0.998 10 0 BCAERO CC[N@@H+]1CC[C@H](CNC(=O)[C@H](C)COC)C1 ZINC000245820210 387985979 /nfs/dbraw/zinc/98/59/79/387985979.db2.gz LGFLSFQWWQZJKY-GHMZBOCLSA-N 1 0 228.336 0.727 10 0 BCAERO CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H](C)COC ZINC000245821844 387986554 /nfs/dbraw/zinc/98/65/54/387986554.db2.gz MBHDMVDKSNVPPS-MNOVXSKESA-N 1 0 228.336 0.869 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)N2CC[N@@H+]3CCC[C@H]3C2)O1 ZINC000246061282 388005858 /nfs/dbraw/zinc/00/58/58/388005858.db2.gz RETKPYDKEFSNRG-GRYCIOLGSA-N 1 0 238.331 0.861 10 0 BCAERO C[C@@H]1CC[C@@H](C(=O)NC[C@H]2CC[N@H+](C)C2)O1 ZINC000246083115 388007044 /nfs/dbraw/zinc/00/70/44/388007044.db2.gz UEMJXMSHFWKESI-MXWKQRLJSA-N 1 0 226.320 0.622 10 0 BCAERO CC[C@@H](C(N)=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000246132600 388012465 /nfs/dbraw/zinc/01/24/65/388012465.db2.gz CKWOHVXBSFQGAT-QWRGUYRKSA-N 1 0 225.336 0.420 10 0 BCAERO CCN1CCC[C@H]([NH2+][C@@H](C)CS(C)(=O)=O)C1 ZINC000081900788 388013614 /nfs/dbraw/zinc/01/36/14/388013614.db2.gz UBCGWPQFNJOSIE-QWRGUYRKSA-N 1 0 248.392 0.493 10 0 BCAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1CCOCCO ZINC000246182337 388017006 /nfs/dbraw/zinc/01/70/06/388017006.db2.gz KQDTZZWGBWGLBS-NEPJUHHUSA-N 1 0 228.336 0.164 10 0 BCAERO COC[C@@H](C)C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000246182120 388017350 /nfs/dbraw/zinc/01/73/50/388017350.db2.gz UXELYTPNHUVDRT-NEPJUHHUSA-N 1 0 240.347 0.966 10 0 BCAERO C[C@@H](O)C1CCN(C(=O)[C@@H]2CCC[NH2+]C2)CC1 ZINC000082280867 388022630 /nfs/dbraw/zinc/02/26/30/388022630.db2.gz UTAGHZVGYZXYQL-ZYHUDNBSSA-N 1 0 240.347 0.605 10 0 BCAERO COC[C@@H]([NH3+])C(=O)NCC1(C)CCC1 ZINC000261527426 135151626 /nfs/dbraw/zinc/15/16/26/135151626.db2.gz BANKMIAEPQMBJD-MRVPVSSYSA-N 1 0 200.282 0.267 10 0 BCAERO CC(C)[C@H]([NH3+])CNc1ccnc(N(C)C)n1 ZINC000082924395 388043101 /nfs/dbraw/zinc/04/31/01/388043101.db2.gz IIIGOWMHWJIONL-SECBINFHSA-N 1 0 223.324 0.938 10 0 BCAERO CCOCC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000083550479 388055568 /nfs/dbraw/zinc/05/55/68/388055568.db2.gz OCKXCRDTPWZCCZ-WDEREUQCSA-N 1 0 226.320 0.718 10 0 BCAERO O=C(NCc1csc(=O)[nH]1)[C@H]1CCC[NH2+]C1 ZINC000083957639 388068883 /nfs/dbraw/zinc/06/88/83/388068883.db2.gz AQLYFNFJBCHTRR-ZETCQYMHSA-N 1 0 241.316 0.052 10 0 BCAERO COC(=O)CCCNC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000085011821 388082688 /nfs/dbraw/zinc/08/26/88/388082688.db2.gz YNHMMXNUTSHDEL-BDAKNGLRSA-N 1 0 228.292 0.183 10 0 BCAERO [NH3+][C@@H]1CC[C@@H](C(=O)NCCn2ccnc2)C1 ZINC000085012003 388082941 /nfs/dbraw/zinc/08/29/41/388082941.db2.gz ZAQNCFYKYCNTDL-NXEZZACHSA-N 1 0 222.292 0.127 10 0 BCAERO C[NH2+]CC1CCN(c2ccnc(N(C)C)n2)CC1 ZINC000085432128 388088952 /nfs/dbraw/zinc/08/89/52/388088952.db2.gz UNGBDLVIGPCKOH-UHFFFAOYSA-N 1 0 249.362 0.978 10 0 BCAERO CC(C)[C@@H]([NH3+])CC(=O)N(C)CCn1cccn1 ZINC000645965375 388094962 /nfs/dbraw/zinc/09/49/62/388094962.db2.gz KXPUYTGHUZIUPV-NSHDSACASA-N 1 0 238.335 0.715 10 0 BCAERO CCn1c(C)nnc1CN1CC[NH+](C2CC2)CC1 ZINC000195115342 388096892 /nfs/dbraw/zinc/09/68/92/388096892.db2.gz AOMZRQWIMJFVAX-UHFFFAOYSA-N 1 0 249.362 0.886 10 0 BCAERO CSC[C@H](C)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000261528012 135152586 /nfs/dbraw/zinc/15/25/86/135152586.db2.gz IQIKPAQIRBXXND-HRDYMLBCSA-N 1 0 216.350 0.791 10 0 BCAERO Cc1nnc2c(N3C[C@@H](C)[NH2+]C[C@@H]3C)nccn12 ZINC000086471015 388102113 /nfs/dbraw/zinc/10/21/13/388102113.db2.gz QYNLSFAUGOWVHT-BDAKNGLRSA-N 1 0 246.318 0.619 10 0 BCAERO C[C@@H]1CN(c2ccnc(C(N)=O)c2)[C@H](C)C[NH2+]1 ZINC000086471448 388103082 /nfs/dbraw/zinc/10/30/82/388103082.db2.gz NKBLLMZGWZVBQD-RKDXNWHRSA-N 1 0 234.303 0.367 10 0 BCAERO C[C@@H]1CN(c2nccn3cnnc23)[C@H](C)C[NH2+]1 ZINC000086471506 388103649 /nfs/dbraw/zinc/10/36/49/388103649.db2.gz LKIQGWIARKDGEC-RKDXNWHRSA-N 1 0 232.291 0.311 10 0 BCAERO C[C@@H]1C[NH2+][C@@H](C)CN1c1ccnc(C(N)=O)c1 ZINC000086471450 388103983 /nfs/dbraw/zinc/10/39/83/388103983.db2.gz NKBLLMZGWZVBQD-DTWKUNHWSA-N 1 0 234.303 0.367 10 0 BCAERO Cc1c(C[NH2+]CC[C@H](C)[S@@](C)=O)cnn1C ZINC000160169084 388049615 /nfs/dbraw/zinc/04/96/15/388049615.db2.gz YUROUZLNAAKFAB-FVMDXXJSSA-N 1 0 243.376 0.975 10 0 BCAERO CS[C@@H](C)C(=O)NC[C@H]1CC[NH2+]C1 ZINC000261527483 135151980 /nfs/dbraw/zinc/15/19/80/135151980.db2.gz BSWUGDDDICZCQE-YUMQZZPRSA-N 1 0 202.323 0.464 10 0 BCAERO CC1(C)C[NH2+][C@@H]1C(=O)NC[C@@H]1CCCC[C@H]1O ZINC000646150788 388157401 /nfs/dbraw/zinc/15/74/01/388157401.db2.gz VDMSWRCBFCISGR-HBNTYKKESA-N 1 0 240.347 0.652 10 0 BCAERO COC[C@@H]1CCCN1C(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000646157315 388157921 /nfs/dbraw/zinc/15/79/21/388157921.db2.gz PKGDJCYHOVVVBN-MXWKQRLJSA-N 1 0 226.320 0.751 10 0 BCAERO CC[C@H]1CN(C(=O)[C@@H]2C[NH2+]C[C@H]2C)C[C@@H](C)O1 ZINC000449248534 388162935 /nfs/dbraw/zinc/16/29/35/388162935.db2.gz JLCGSRCRRQFLNO-WISYIIOYSA-N 1 0 240.347 0.868 10 0 BCAERO C[C@H]1CN(S(=O)(=O)CC2CC2)C[C@H]1[NH3+] ZINC000261528370 135153450 /nfs/dbraw/zinc/15/34/50/135153450.db2.gz KXZDCLLLTPHJPX-IONNQARKSA-N 1 0 218.322 0.005 10 0 BCAERO CC(C)(C)[C@H](O)C[NH2+][C@@H]1CCCNC(=O)C1 ZINC000324317116 388116646 /nfs/dbraw/zinc/11/66/46/388116646.db2.gz GNWWZFKTOSNUGW-NXEZZACHSA-N 1 0 228.336 0.652 10 0 BCAERO C[C@H]1CCN(S(C)(=O)=O)[C@H](C[NH3+])C1 ZINC000261528407 135153636 /nfs/dbraw/zinc/15/36/36/135153636.db2.gz LNWIDOFUQNDFOL-YUMQZZPRSA-N 1 0 206.311 0.005 10 0 BCAERO Cc1cc(C(=O)NC2C[NH2+]C2)c(F)cc1F ZINC000125305989 177775427 /nfs/dbraw/zinc/77/54/27/177775427.db2.gz JJVINWCTVYXQFE-UHFFFAOYSA-N 1 0 226.226 0.975 10 0 BCAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N(C)Cc1cnccn1 ZINC000646030566 388129411 /nfs/dbraw/zinc/12/94/11/388129411.db2.gz RQWYTVKJQPIDCY-JQWIXIFHSA-N 1 0 248.330 0.823 10 0 BCAERO COC[C@H]1CN(C(=O)[C@H]([NH3+])CC(C)C)CCO1 ZINC000646074986 388137246 /nfs/dbraw/zinc/13/72/46/388137246.db2.gz AIJUWQLGRSFGEH-GHMZBOCLSA-N 1 0 244.335 0.234 10 0 BCAERO CC[C@@H]1CCN(C(=O)[C@@H]([NH3+])COC)C1 ZINC000166170509 388254499 /nfs/dbraw/zinc/25/44/99/388254499.db2.gz BADSSKDWVBDQMC-BDAKNGLRSA-N 1 0 200.282 0.219 10 0 BCAERO CO[C@H](C)CCC(=O)NC[C@@H]1CC[NH2+]C1 ZINC000166790386 388255478 /nfs/dbraw/zinc/25/54/78/388255478.db2.gz MDBDSPHBMUEVSW-NXEZZACHSA-N 1 0 214.309 0.527 10 0 BCAERO CCCOCC(=O)N1CC[C@@H]([NH3+])[C@@H]1C ZINC000261528593 135154110 /nfs/dbraw/zinc/15/41/10/135154110.db2.gz MLWINMIJPSGLQN-DTWKUNHWSA-N 1 0 200.282 0.361 10 0 BCAERO C[C@@H]1CN(C(=O)c2ccc3n[nH]nc3c2)C[C@H]1[NH3+] ZINC000518977436 256640268 /nfs/dbraw/zinc/64/02/68/256640268.db2.gz QLJXYCNXIADLKN-VXNVDRBHSA-N 1 0 245.286 0.377 10 0 BCAERO C[C@@H]1CN(C(=O)[C@H]2[C@@H](C)[C@@H](C)O[C@H]2C)C[C@H]1[NH3+] ZINC000300047564 388346655 /nfs/dbraw/zinc/34/66/55/388346655.db2.gz DZIWVWGHGOEIBJ-OWSRUXPGSA-N 1 0 240.347 0.852 10 0 BCAERO CC1(C)C[NH2+][C@@H]1C(=O)N[C@H]1CCC[C@@H](O)C1 ZINC000646417278 388353752 /nfs/dbraw/zinc/35/37/52/388353752.db2.gz CFANKXUMWXIHNU-IVZWLZJFSA-N 1 0 226.320 0.404 10 0 BCAERO CCc1nnc(C)cc1C(=O)N1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000234160989 388354588 /nfs/dbraw/zinc/35/45/88/388354588.db2.gz JBRDAZYEMCAJTR-KCJUWKMLSA-N 1 0 248.330 0.767 10 0 BCAERO CCCCOC[C@H](O)CN1CC[C@H]([NH+](C)C)C1 ZINC000300295240 388358555 /nfs/dbraw/zinc/35/85/55/388358555.db2.gz NERFVNDRTAKYBR-QWHCGFSZSA-N 1 0 244.379 0.800 10 0 BCAERO COCCC1(CNC(=O)[C@H]2CCC[NH2+]C2)CC1 ZINC000234818985 388360732 /nfs/dbraw/zinc/36/07/32/388360732.db2.gz RJYSZTQZXIEYCO-NSHDSACASA-N 1 0 240.347 0.919 10 0 BCAERO CO[C@H]1CCN(C(=O)[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC000234805153 388360878 /nfs/dbraw/zinc/36/08/78/388360878.db2.gz HQWOZWRTZWPMRC-AEJSXWLSSA-N 1 0 212.293 0.361 10 0 BCAERO CC(C)[C@@H]([NH3+])CC(=O)N[C@H]1CCCN(C)C1=O ZINC000646458756 388361704 /nfs/dbraw/zinc/36/17/04/388361704.db2.gz NBTZOVYTQCJLQF-UWVGGRQHSA-N 1 0 241.335 0.097 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)N[C@H]1CCCN(C)C1=O ZINC000646458758 388362192 /nfs/dbraw/zinc/36/21/92/388362192.db2.gz NBTZOVYTQCJLQF-ZJUUUORDSA-N 1 0 241.335 0.097 10 0 BCAERO COCC1(NC(=O)CC[C@H]2CCC[NH2+]2)CC1 ZINC000646467940 388363133 /nfs/dbraw/zinc/36/31/33/388363133.db2.gz USZAPNPGPMHNNP-SNVBAGLBSA-N 1 0 226.320 0.814 10 0 BCAERO C[C@H](O)C1CCN(C(=O)[C@@H](C)C[NH3+])CC1 ZINC000235524336 388370920 /nfs/dbraw/zinc/37/09/20/388370920.db2.gz CTEWRGXFDMCUEZ-IUCAKERBSA-N 1 0 214.309 0.201 10 0 BCAERO C[C@]1(C[NH3+])CCN(c2ncc(F)cn2)C1 ZINC000235711060 388374639 /nfs/dbraw/zinc/37/46/39/388374639.db2.gz IFYOZCWJZVTWIY-SNVBAGLBSA-N 1 0 210.256 0.791 10 0 BCAERO Cc1nn(C)cc1CN1C[C@H]([NH3+])[C@@H](C)C1 ZINC000235677339 388374772 /nfs/dbraw/zinc/37/47/72/388374772.db2.gz XXNWTLANMIDMHO-KWQFWETISA-N 1 0 208.309 0.508 10 0 BCAERO C[C@H]1CN(CC(=O)NC(C)(C)C)C[C@H]1[NH3+] ZINC000261531047 135158986 /nfs/dbraw/zinc/15/89/86/135158986.db2.gz DZRZHSYJVAGCNA-DTWKUNHWSA-N 1 0 213.325 0.180 10 0 BCAERO CC(C)[C@@H]([NH3+])C(=O)N[C@H]1CCO[C@H]1C ZINC000134254988 388397027 /nfs/dbraw/zinc/39/70/27/388397027.db2.gz LQWMHXNXIKRBBP-XHNCKOQMSA-N 1 0 200.282 0.263 10 0 BCAERO CN(Cc1cc[nH]n1)C(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000336519063 388457653 /nfs/dbraw/zinc/45/76/53/388457653.db2.gz FEEKHZAMTLUWIJ-ZJUUUORDSA-N 1 0 236.319 0.886 10 0 BCAERO Cc1cnn(C)c1C[NH2+][C@@H]1CCCNC1=O ZINC000336710403 388466227 /nfs/dbraw/zinc/46/62/27/388466227.db2.gz RRMOAEWGVRPSFC-SECBINFHSA-N 1 0 222.292 0.097 10 0 BCAERO C[C@H]1[C@H](O)CCC[N@@H+]1CCn1cccn1 ZINC000296165499 388417691 /nfs/dbraw/zinc/41/76/91/388417691.db2.gz KTNHBALQOCDYNC-WDEREUQCSA-N 1 0 209.293 0.728 10 0 BCAERO CC(C)[C@@H]([NH3+])C(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000034717543 388479956 /nfs/dbraw/zinc/47/99/56/388479956.db2.gz AYMDNTIHMICLTC-OPRDCNLKSA-N 1 0 214.309 0.606 10 0 BCAERO COC(=O)NCC[NH2+]C[C@H](O)C(C)(C)C ZINC000308256218 388433810 /nfs/dbraw/zinc/43/38/10/388433810.db2.gz JPQVFAVJLCFYCZ-QMMMGPOBSA-N 1 0 218.297 0.339 10 0 BCAERO CO[C@@H]1C[C@H](CO)[N@H+](C[C@@H]2CCCO2)C1 ZINC000339183695 388480179 /nfs/dbraw/zinc/48/01/79/388480179.db2.gz QZARUOSHPIIMJO-OUAUKWLOSA-N 1 0 215.293 0.247 10 0 BCAERO Cc1cnccc1C[N@@H+]1CCC[C@](O)(C(N)=O)C1 ZINC000528502986 388537369 /nfs/dbraw/zinc/53/73/69/388537369.db2.gz JIFHQMHTKOJBKH-CYBMUJFWSA-N 1 0 249.314 0.202 10 0 BCAERO Cc1ncccc1NC(=O)[C@@H]1C[NH2+]CCOC1 ZINC000649287882 388546541 /nfs/dbraw/zinc/54/65/41/388546541.db2.gz IWNDHOJXTZSVFR-SNVBAGLBSA-N 1 0 235.287 0.565 10 0 BCAERO COC[C@@H](C)[NH2+][C@@H](C)C(=O)NCC(C)C ZINC000034937687 388492871 /nfs/dbraw/zinc/49/28/71/388492871.db2.gz RGWYWRCXLJRZBP-ZJUUUORDSA-N 1 0 216.325 0.772 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)NCCCN1CCOC1=O ZINC000178102133 388496683 /nfs/dbraw/zinc/49/66/83/388496683.db2.gz UADZWWQKVYEFTO-SECBINFHSA-N 1 0 243.307 0.072 10 0 BCAERO Cc1ccc(NC(=O)[C@H]2C[NH2+]CCOC2)nc1 ZINC000649276297 388496855 /nfs/dbraw/zinc/49/68/55/388496855.db2.gz JPDHAFPYFQNVBX-JTQLQIEISA-N 1 0 235.287 0.565 10 0 BCAERO C[C@H](NC(=O)[C@H]1C[NH2+]CCOC1)c1ccccn1 ZINC000649277529 388500239 /nfs/dbraw/zinc/50/02/39/388500239.db2.gz BZKDWCYIBMWUQL-QWRGUYRKSA-N 1 0 249.314 0.495 10 0 BCAERO CO[C@@H]1C[C@H](CO)[N@H+](Cc2ccccn2)C1 ZINC000343985471 388503665 /nfs/dbraw/zinc/50/36/65/388503665.db2.gz POYUZWCGHBWYQP-VXGBXAGGSA-N 1 0 222.288 0.663 10 0 BCAERO CCSCC[N@@H+]1C[C@H](OC)C[C@@H]1CO ZINC000344151839 388505674 /nfs/dbraw/zinc/50/56/74/388505674.db2.gz VQQUIKNORBGYCP-NXEZZACHSA-N 1 0 219.350 0.821 10 0 BCAERO CO[C@@H]1C[C@@H](CO)[N@H+](CCC[C@H](C)O)C1 ZINC000344711578 388508557 /nfs/dbraw/zinc/50/85/57/388508557.db2.gz LQCCQRRQDWKBDK-GARJFASQSA-N 1 0 217.309 0.229 10 0 BCAERO CO[C@H]1C[C@@H](CO)[N@H+](CCn2ccnc2C)C1 ZINC000344725106 388509207 /nfs/dbraw/zinc/50/92/07/388509207.db2.gz SCJVNPLRFCWUHG-RYUDHWBXSA-N 1 0 239.319 0.273 10 0 BCAERO CC(C)(C)OC(=O)[C@@H](N)[C@H]1CCC[NH2+]C1 ZINC000090623456 388509795 /nfs/dbraw/zinc/50/97/95/388509795.db2.gz IUEZPMQGUVYLKP-IUCAKERBSA-N 1 0 214.309 0.655 10 0 BCAERO CCN1CC[C@H]([NH2+]C[C@H](C)S(C)(=O)=O)C1 ZINC000516761819 388515595 /nfs/dbraw/zinc/51/55/95/388515595.db2.gz OMQMFZDIVRPVNT-UWVGGRQHSA-N 1 0 234.365 0.103 10 0 BCAERO CO[C@H]1C[C@@H](CO)[N@H+](Cc2ccncc2C)C1 ZINC000528500582 388535781 /nfs/dbraw/zinc/53/57/81/388535781.db2.gz WOQWJRASIFVHCV-STQMWFEESA-N 1 0 236.315 0.972 10 0 BCAERO CSCc1noc([C@@H]2C[NH2+]CCO2)n1 ZINC000054494155 388594280 /nfs/dbraw/zinc/59/42/80/388594280.db2.gz GGCFFKJYUYWPPC-LURJTMIESA-N 1 0 215.278 0.594 10 0 BCAERO COC[C@H]([NH3+])C(=O)N1C[C@H](C)CC[C@@H]1C ZINC000220187202 388602616 /nfs/dbraw/zinc/60/26/16/388602616.db2.gz ZVLCUGVPXLTPLG-UTLUCORTSA-N 1 0 214.309 0.607 10 0 BCAERO CCCC[N@@H+]1CCC[C@](O)(C(N)=O)C1 ZINC000367490671 388565382 /nfs/dbraw/zinc/56/53/82/388565382.db2.gz WISBYXZCNGYSKF-SNVBAGLBSA-N 1 0 200.282 0.099 10 0 BCAERO COC[C@H]([NH3+])C(=O)N1CCC2(CCC2)C1 ZINC000261568605 135210569 /nfs/dbraw/zinc/21/05/69/135210569.db2.gz FQHACISXLQFUCM-VIFPVBQESA-N 1 0 212.293 0.363 10 0 BCAERO CS(=O)(=O)CCNc1cc[nH+]cc1 ZINC000037750835 388631316 /nfs/dbraw/zinc/63/13/16/388631316.db2.gz HGACOWZOVMNFHT-UHFFFAOYSA-N 1 0 200.263 0.538 10 0 BCAERO O=C(c1ccncc1)N1CC[C@H]2OCC[NH2+][C@H]2C1 ZINC000403974107 388632245 /nfs/dbraw/zinc/63/22/45/388632245.db2.gz CRHPKUUXENGLAT-NWDGAFQWSA-N 1 0 247.298 0.285 10 0 BCAERO CN(CC1CC(C)(C)C1)[C@H]1C[NH2+]C[C@@H]1O ZINC000530222668 388634208 /nfs/dbraw/zinc/63/42/08/388634208.db2.gz HAJKSAAAHPQXCO-QWRGUYRKSA-N 1 0 212.337 0.687 10 0 BCAERO Cn1cnnc1CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000246735633 388650301 /nfs/dbraw/zinc/65/03/01/388650301.db2.gz WHRARSUYDWAOQV-JTQLQIEISA-N 1 0 221.308 0.095 10 0 BCAERO CCC(=O)N1CC[N@H+](C[C@H](C)O)[C@H](CC)C1 ZINC000246796490 388651500 /nfs/dbraw/zinc/65/15/00/388651500.db2.gz JQTJIOKMRLOMJF-WDEREUQCSA-N 1 0 228.336 0.700 10 0 BCAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1nncn1C ZINC000246810865 388652775 /nfs/dbraw/zinc/65/27/75/388652775.db2.gz CCPMALMBCUTKQK-QWRGUYRKSA-N 1 0 235.335 0.484 10 0 BCAERO COC[C@H](C)C[N@@H+]1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000249978278 388735779 /nfs/dbraw/zinc/73/57/79/388735779.db2.gz YKPLSQDLZPNVMC-UPJWGTAASA-N 1 0 244.379 0.656 10 0 BCAERO C[N@H+](CCCCCO)C[C@H]1CNC(=O)O1 ZINC000227119980 388741938 /nfs/dbraw/zinc/74/19/38/388741938.db2.gz CNHHGBFDGXERFB-SECBINFHSA-N 1 0 216.281 0.189 10 0 BCAERO COC[C@@H](C)[NH2+]CC(=O)N1CCCC1 ZINC000020041838 388753436 /nfs/dbraw/zinc/75/34/36/388753436.db2.gz WXFHPAHRLNMPEV-SECBINFHSA-N 1 0 200.282 0.233 10 0 BCAERO C[C@@H]1CC[N@H+](C[C@@H](O)COC(C)(C)C)[C@H]1CO ZINC000248873860 388697396 /nfs/dbraw/zinc/69/73/96/388697396.db2.gz CBDDOBZNZSQOFT-UTUOFQBUSA-N 1 0 245.363 0.865 10 0 BCAERO [NH3+]C[C@H]1C[C@@H](F)CN1Cc1ncccn1 ZINC000396434475 388702408 /nfs/dbraw/zinc/70/24/08/388702408.db2.gz YIPDFACMUHONGW-RKDXNWHRSA-N 1 0 210.256 0.348 10 0 BCAERO COC[C@@H](C)C[N@@H+]1CCCNC(=O)[C@@H]1C ZINC000249023455 388704202 /nfs/dbraw/zinc/70/42/02/388704202.db2.gz KMSPORPPFOLVNC-UWVGGRQHSA-N 1 0 214.309 0.479 10 0 BCAERO CC[C@](C)(O)C[N@@H+]1CCN(CCOC)[C@@H](C)C1 ZINC000249085300 388708430 /nfs/dbraw/zinc/70/84/30/388708430.db2.gz FFPPNURBMBXTPM-STQMWFEESA-N 1 0 244.379 0.800 10 0 BCAERO C[C@H]([NH3+])[C@H](C)C(=O)N1[C@@H](C)COC[C@@H]1C ZINC000249111641 388708967 /nfs/dbraw/zinc/70/89/67/388708967.db2.gz VXVVLXHDQRIBAA-XKNYDFJKSA-N 1 0 214.309 0.606 10 0 BCAERO CC(C)OC[C@H](O)C[NH2+]C[C@@H]1CCC[C@@H](O)C1 ZINC000227732773 388756389 /nfs/dbraw/zinc/75/63/89/388756389.db2.gz FDXBDXDKTYBJPW-JHJVBQTASA-N 1 0 245.363 0.913 10 0 BCAERO CC[C@](C)(O)C[N@@H+]1CC[C@@H](OCCOC)C1 ZINC000249294229 388715638 /nfs/dbraw/zinc/71/56/38/388715638.db2.gz ATUJLGGQIDROLK-NEPJUHHUSA-N 1 0 231.336 0.885 10 0 BCAERO C1NOC[C@H]1[NH2+][C@@H]1CCCSCC1 ZINC000575449300 388728181 /nfs/dbraw/zinc/72/81/81/388728181.db2.gz GSRYCDKLCMTPBR-BDAKNGLRSA-N 1 0 202.323 0.765 10 0 BCAERO CC[N@@H+]1CCC[C@H](NC(=O)[C@H](C)OC)C1 ZINC000249609638 388730972 /nfs/dbraw/zinc/73/09/72/388730972.db2.gz CGZFAGTWAXMQPC-UWVGGRQHSA-N 1 0 214.309 0.622 10 0 BCAERO C[C@H](O)C1CC[NH+](C[C@H]2CNC(=O)O2)CC1 ZINC000229644427 388798106 /nfs/dbraw/zinc/79/81/06/388798106.db2.gz SGKMKMQCEYJZQH-WCBMZHEXSA-N 1 0 228.292 0.188 10 0 BCAERO COC[C@@H]1C[N@H+](CC(C)(C)O)C[C@@H](C)O1 ZINC000251910464 388759023 /nfs/dbraw/zinc/75/90/23/388759023.db2.gz RPYSLIDTMQNHTC-ZJUUUORDSA-N 1 0 217.309 0.493 10 0 BCAERO C[C@H]1CN(C[C@H]2CNC(=O)O2)CCC1=O ZINC000253311277 388812919 /nfs/dbraw/zinc/81/29/19/388812919.db2.gz VAAXJMVDZORJSC-JGVFFNPUSA-N 1 0 212.249 0.006 10 0 BCAERO CS(C)(=O)=NC[C@H]1C[NH2+]CC1(F)F ZINC000575456062 388784721 /nfs/dbraw/zinc/78/47/21/388784721.db2.gz ZINXXWIMJQYLKL-ZCFIWIBFSA-N 1 0 212.265 0.569 10 0 BCAERO CO[C@@H]1C[C@@H](CO)[N@H+](Cc2cnccc2C)C1 ZINC000284493318 388828207 /nfs/dbraw/zinc/82/82/07/388828207.db2.gz GKYODONLROHJPB-QWHCGFSZSA-N 1 0 236.315 0.972 10 0 BCAERO O=S1(=O)CC[C@@H](CC=C2C[NH2+]C2)C1 ZINC000575463920 388831094 /nfs/dbraw/zinc/83/10/94/388831094.db2.gz MMJBXWXZFWDXTB-MRVPVSSYSA-N 1 0 201.291 0.341 10 0 BCAERO COc1ncc([C@@H]2COC[C@@H]2[NH3+])s1 ZINC000575464576 388832424 /nfs/dbraw/zinc/83/24/24/388832424.db2.gz QBFJKQZNHXOJKP-RITPCOANSA-N 1 0 200.263 0.593 10 0 BCAERO [NH3+][C@H](CC1OCCO1)c1cncs1 ZINC000575468467 388840759 /nfs/dbraw/zinc/84/07/59/388840759.db2.gz QFTFFQBKMNJQOL-ZCFIWIBFSA-N 1 0 200.263 0.906 10 0 BCAERO N[C@]1(C(F)F)CCCS(=O)(=O)CC1 ZINC000575468872 388841526 /nfs/dbraw/zinc/84/15/26/388841526.db2.gz XRIMCZRDGBMBAT-SSDOTTSWSA-N 1 0 213.249 0.548 10 0 BCAERO [NH3+][C@@H]1COC[C@@H]1[C@@H](O)c1ccsn1 ZINC000575469451 388842097 /nfs/dbraw/zinc/84/20/97/388842097.db2.gz LRKQBGFEZKUUKF-SHYZEUOFSA-N 1 0 200.263 0.150 10 0 BCAERO Cc1cnc(N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)nc1C ZINC000299749648 388845554 /nfs/dbraw/zinc/84/55/54/388845554.db2.gz LDHMZTYDQFKUBK-NWDGAFQWSA-N 1 0 248.330 0.613 10 0 BCAERO [NH3+][C@@H]1COC[C@H]1[C@@H](O)c1ccns1 ZINC000575471081 388847400 /nfs/dbraw/zinc/84/74/00/388847400.db2.gz VTEJJGKXPOOOGP-ATRFCDNQSA-N 1 0 200.263 0.150 10 0 BCAERO O[C@@H](C1=COCC1)[C@@H]1CSCC[NH2+]1 ZINC000575471705 388849502 /nfs/dbraw/zinc/84/95/02/388849502.db2.gz PLZVWONQQZUNOO-IUCAKERBSA-N 1 0 201.291 0.357 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)N(C)Cc1cnn(CC)c1 ZINC000564654121 388882848 /nfs/dbraw/zinc/88/28/48/388882848.db2.gz XCEZSXUIGAWVDB-LLVKDONJSA-N 1 0 238.335 0.989 10 0 BCAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000565032740 388909689 /nfs/dbraw/zinc/90/96/89/388909689.db2.gz HCAFVGYRTZNIIU-TUAOUCFPSA-N 1 0 241.379 0.816 10 0 BCAERO COC(=O)[C@H](C1CC1)[N@@H+]1C[C@H](C)C[C@H](O)C1 ZINC000401615113 533227594 /nfs/dbraw/zinc/22/75/94/533227594.db2.gz MTWYLRQUSMAJLP-MIMYLULJSA-N 1 0 227.304 0.641 10 0 BCAERO CCCOCC(=O)N1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC000404035429 388941721 /nfs/dbraw/zinc/94/17/21/388941721.db2.gz YKOBAEMBBQMCOG-QWRGUYRKSA-N 1 0 242.319 0.002 10 0 BCAERO C(C1CCOCC1)[N@@H+]1CC[C@@H]2OCCN[C@@H]2C1 ZINC000404203227 388953519 /nfs/dbraw/zinc/95/35/19/388953519.db2.gz QVVFSYDKRWZRFU-OLZOCXBDSA-N 1 0 240.347 0.476 10 0 BCAERO O=C([C@H]1CCC[NH2+]C1)N1CC[C@@H]2OCC[C@@H]2C1 ZINC000566070293 388986097 /nfs/dbraw/zinc/98/60/97/388986097.db2.gz KUCRNDHAFXPDHI-TUAOUCFPSA-N 1 0 238.331 0.623 10 0 BCAERO [NH3+]C1CN(C(=O)c2occc2Br)C1 ZINC000575507755 388992851 /nfs/dbraw/zinc/99/28/51/388992851.db2.gz MZJHWSSXJMKHQZ-UHFFFAOYSA-N 1 0 245.076 0.825 10 0 BCAERO [NH3+]C1CCN(c2cn[nH]c(=O)c2Cl)CC1 ZINC000073736172 132303538 /nfs/dbraw/zinc/30/35/38/132303538.db2.gz UKVJPBKZZRVRFH-UHFFFAOYSA-N 1 0 228.683 0.763 10 0 BCAERO NNc1cc(N2CCOCC2)c(Cl)n[nH+]1 ZINC000003604561 132308580 /nfs/dbraw/zinc/30/85/80/132308580.db2.gz SUXYJBSEDDEAMK-UHFFFAOYSA-N 1 0 229.671 0.252 10 0 BCAERO C[C@H]([NH3+])C(=O)N1CC(=O)Nc2ccccc21 ZINC000020293637 132331074 /nfs/dbraw/zinc/33/10/74/132331074.db2.gz YBPQFLHMYYBKOF-ZETCQYMHSA-N 1 0 219.244 0.319 10 0 BCAERO NC(=S)C[NH+]1CCN(c2ccccn2)CC1 ZINC000019518888 132325927 /nfs/dbraw/zinc/32/59/27/132325927.db2.gz YZMNDIOJDXSJFD-UHFFFAOYSA-N 1 0 236.344 0.490 10 0 BCAERO C[C@H](C[NH3+])N1CC(=O)Nc2ccccc21 ZINC000043513382 132353288 /nfs/dbraw/zinc/35/32/88/132353288.db2.gz VTZZOTRFTVNVSP-MRVPVSSYSA-N 1 0 205.261 0.792 10 0 BCAERO C[C@H]([NH3+])Cc1ccnc(N2CCOCC2)n1 ZINC000054834040 132365195 /nfs/dbraw/zinc/36/51/95/132365195.db2.gz SMQPSQKNMQGOHR-VIFPVBQESA-N 1 0 222.292 0.203 10 0 BCAERO CCN(C)C(=O)CNC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000037904612 169674667 /nfs/dbraw/zinc/67/46/67/169674667.db2.gz FXFCGWLAEBZVDY-NSHDSACASA-N 1 0 239.363 0.539 10 0 BCAERO CCN(C)C(=O)N1C[C@H](C)[C@H]([NH+](C)C)C1 ZINC000127592789 169682743 /nfs/dbraw/zinc/68/27/43/169682743.db2.gz GEJPLSYMJMNHFB-VHSXEESVSA-N 1 0 213.325 0.940 10 0 BCAERO OCc1ccnc(N2CC[N@@H+]3CCC[C@H]3C2)n1 ZINC000341613929 132226679 /nfs/dbraw/zinc/22/66/79/132226679.db2.gz NBXCSCIMMMSCDG-NSHDSACASA-N 1 0 234.303 0.253 10 0 BCAERO C[S@](=O)c1ccc(N2CC[NH2+]CC2)cc1 ZINC000165122331 132228366 /nfs/dbraw/zinc/22/83/66/132228366.db2.gz BJAXWGSHKDWPMQ-OAHLLOKOSA-N 1 0 224.329 0.834 10 0 BCAERO C[C@H]1CCCN(c2ccnc(C(N)=O)c2)[C@@H]1C[NH3+] ZINC000070178418 132230514 /nfs/dbraw/zinc/23/05/14/132230514.db2.gz GSCLOZPVRDWNFU-JOYOIKCWSA-N 1 0 248.330 0.744 10 0 BCAERO Cc1cc(N2C[C@@H](C)[NH2+]C[C@H]2C)n2ncnc2n1 ZINC000250959090 132232418 /nfs/dbraw/zinc/23/24/18/132232418.db2.gz FQWZRHDNIIQXPV-NXEZZACHSA-N 1 0 246.318 0.619 10 0 BCAERO Cc1cc(N2CC[NH2+]C[C@@H]2C)nc(C)n1 ZINC000054374924 132233890 /nfs/dbraw/zinc/23/38/90/132233890.db2.gz HHTNCYOHXRGKCJ-VIFPVBQESA-N 1 0 206.293 0.892 10 0 BCAERO O=c1[nH]ncc(Cl)c1N1CC[NH2+]CC1 ZINC000062339472 132240005 /nfs/dbraw/zinc/24/00/05/132240005.db2.gz GMOMLWGNQQVFLW-UHFFFAOYSA-N 1 0 214.656 0.245 10 0 BCAERO Cc1cn2ccnc(N3CC[NH2+]CC3)c2n1 ZINC000013728031 132292926 /nfs/dbraw/zinc/29/29/26/132292926.db2.gz BUDCOWQNZZXQDZ-UHFFFAOYSA-N 1 0 217.276 0.447 10 0 BCAERO Cc1c[nH+]ccc1N1CCC[C@@](O)(C(N)=O)C1 ZINC000310080650 132294528 /nfs/dbraw/zinc/29/45/28/132294528.db2.gz JBEONWZBWUBVGR-LBPRGKRZSA-N 1 0 235.287 0.207 10 0 BCAERO [NH3+]C1CCN(c2nc3ccccc3c(=O)[nH]2)CC1 ZINC000073668198 132303407 /nfs/dbraw/zinc/30/34/07/132303407.db2.gz DVJOZAIMJVALCK-UHFFFAOYSA-N 1 0 244.298 0.851 10 0 BCAERO Cc1cc(N2CCC[C@@](O)(C(N)=O)C2)cc[nH+]1 ZINC000284749302 132307103 /nfs/dbraw/zinc/30/71/03/132307103.db2.gz XJEUCHBWDMNMMA-LBPRGKRZSA-N 1 0 235.287 0.207 10 0 BCAERO CN(C)c1cc(F)nc(N2CC[NH2+]CC2)n1 ZINC000090558738 132311587 /nfs/dbraw/zinc/31/15/87/132311587.db2.gz SFMYRNGQQWRNRK-UHFFFAOYSA-N 1 0 225.271 0.091 10 0 BCAERO CCC[C@H](C[NH3+])N1CCN(c2ncccn2)CC1 ZINC000019270122 132324426 /nfs/dbraw/zinc/32/44/26/132324426.db2.gz PCNVCFSTDQGBNB-GFCCVEGCSA-N 1 0 249.362 0.726 10 0 BCAERO NC(=[NH2+])c1cccnc1N1CCOCC1 ZINC000019436637 132325263 /nfs/dbraw/zinc/32/52/63/132325263.db2.gz HUXFYFMNWMDBCC-UHFFFAOYSA-N 1 0 206.249 0.202 10 0 BCAERO C[NH+]1CCN(c2ccc(C(N)=S)cn2)CC1 ZINC000019477328 132325435 /nfs/dbraw/zinc/32/54/35/132325435.db2.gz HWGQKQYXOUHJRC-UHFFFAOYSA-N 1 0 236.344 0.468 10 0 BCAERO C[C@@H]1CN(c2ccc(C(N)=[NH2+])cn2)C[C@H](C)O1 ZINC000019476613 132325517 /nfs/dbraw/zinc/32/55/17/132325517.db2.gz UUNJQTRBFSKEAM-DTORHVGOSA-N 1 0 234.303 0.979 10 0 BCAERO CC[C@](C)(C[NH3+])N1CCN(c2ncccn2)CC1 ZINC000019519397 132325938 /nfs/dbraw/zinc/32/59/38/132325938.db2.gz SROSRCLUWLWHIT-CYBMUJFWSA-N 1 0 249.362 0.726 10 0 BCAERO C[C@@H]([NH3+])c1cc(F)ccc1N1CCNC(=O)C1 ZINC000019872626 132328580 /nfs/dbraw/zinc/32/85/80/132328580.db2.gz BIGAZVJTCKEFRU-MRVPVSSYSA-N 1 0 237.278 0.782 10 0 BCAERO CNC(=O)c1ccc(N2CC[NH2+]CC2)c(C)c1 ZINC000020221365 132330578 /nfs/dbraw/zinc/33/05/78/132330578.db2.gz KRNRRVQENOZIKB-UHFFFAOYSA-N 1 0 233.315 0.764 10 0 BCAERO Nc1cccc(N2CC[NH+](CCCO)CC2)c1 ZINC000020265187 132330590 /nfs/dbraw/zinc/33/05/90/132330590.db2.gz PKAONHZEAORGJG-UHFFFAOYSA-N 1 0 235.331 0.773 10 0 BCAERO [NH3+]CCCC(=O)N1CC(=O)Nc2ccccc21 ZINC000020293658 132331078 /nfs/dbraw/zinc/33/10/78/132331078.db2.gz DUXWYXOYTVIKTM-UHFFFAOYSA-N 1 0 233.271 0.711 10 0 BCAERO C[C@@H]([NH3+])C(=O)N1CC(=O)Nc2ccccc21 ZINC000020293634 132331115 /nfs/dbraw/zinc/33/11/15/132331115.db2.gz YBPQFLHMYYBKOF-SSDOTTSWSA-N 1 0 219.244 0.319 10 0 BCAERO O=C([C@H]1CCC[NH2+]1)N1CC(=O)Nc2ccccc21 ZINC000020293681 132331146 /nfs/dbraw/zinc/33/11/46/132331146.db2.gz AHYIMBMRBIRLTE-SNVBAGLBSA-N 1 0 245.282 0.724 10 0 BCAERO [NH3+]CCCN1CC(=O)Nc2ccccc21 ZINC000020293708 132331259 /nfs/dbraw/zinc/33/12/59/132331259.db2.gz KTXIYXFRJBTNLR-UHFFFAOYSA-N 1 0 205.261 0.794 10 0 BCAERO NC(=O)[C@H]1CCCN(c2cc(C[NH3+])ccn2)C1 ZINC000022222886 132332605 /nfs/dbraw/zinc/33/26/05/132332605.db2.gz OAKPWMJSUUUYGU-JTQLQIEISA-N 1 0 234.303 0.242 10 0 BCAERO [NH3+]C[C@H](O)CN1C(=O)CCc2ccccc21 ZINC000022220856 132332647 /nfs/dbraw/zinc/33/26/47/132332647.db2.gz UYPJMTQPOBVJCN-JTQLQIEISA-N 1 0 220.272 0.285 10 0 BCAERO c1cc2n[nH]nc2c(N2CC[NH2+]CC2)c1 ZINC000033940797 132336037 /nfs/dbraw/zinc/33/60/37/132336037.db2.gz RZCRWQZFNQEANZ-UHFFFAOYSA-N 1 0 203.249 0.368 10 0 BCAERO NNc1ccc(N2CCSCC2)n[nH+]1 ZINC000033826035 132336202 /nfs/dbraw/zinc/33/62/02/132336202.db2.gz HINFMRUYPYAZDV-UHFFFAOYSA-N 1 0 211.294 0.315 10 0 BCAERO Nc1c[nH+]ccc1N1CCN(C(=O)C2CC2)CC1 ZINC000035081399 132337605 /nfs/dbraw/zinc/33/76/05/132337605.db2.gz SXDWDXTUCYCVQG-UHFFFAOYSA-N 1 0 246.314 0.722 10 0 BCAERO C[C@@H]([NH3+])C(=O)Nc1ccccc1N1CCOCC1 ZINC000035222930 132337904 /nfs/dbraw/zinc/33/79/04/132337904.db2.gz IRNHFPJUSJCUPC-SNVBAGLBSA-N 1 0 249.314 0.809 10 0 BCAERO CC[NH+]1CCN(c2ccc(N)c3nonc32)CC1 ZINC000035675239 132339098 /nfs/dbraw/zinc/33/90/98/132339098.db2.gz PYRZNRRHJJDPKN-UHFFFAOYSA-N 1 0 247.302 0.947 10 0 BCAERO Cc1ccnc(N2CC[NH+](C)CC2)c1N ZINC000036250489 132341422 /nfs/dbraw/zinc/34/14/22/132341422.db2.gz RENVQEBRJRFDLS-UHFFFAOYSA-N 1 0 206.293 0.724 10 0 BCAERO CC(=O)N1CCN(c2ccc(N)c(C)[nH+]2)CC1 ZINC000036251020 132341767 /nfs/dbraw/zinc/34/17/67/132341767.db2.gz QFYGPBILLNFKGH-UHFFFAOYSA-N 1 0 234.303 0.641 10 0 BCAERO CC[C@H]1CN(c2cc(C(N)=[NH2+])ccn2)CCO1 ZINC000036769927 132342497 /nfs/dbraw/zinc/34/24/97/132342497.db2.gz VLIGCKVAAVCAFL-JTQLQIEISA-N 1 0 234.303 0.981 10 0 BCAERO NC(=O)c1ccccc1N1CCC([NH3+])CC1 ZINC000036754867 132342532 /nfs/dbraw/zinc/34/25/32/132342532.db2.gz BDWRGCPAYZUTLE-UHFFFAOYSA-N 1 0 219.288 0.713 10 0 BCAERO CC[C@@H]([NH3+])CN1CCN(c2ccccn2)CC1 ZINC000036871978 132342791 /nfs/dbraw/zinc/34/27/91/132342791.db2.gz GYXVSFGQRLWOBZ-GFCCVEGCSA-N 1 0 234.347 0.941 10 0 BCAERO C[C@H]([NH3+])CCN1CCN(c2ccccn2)CC1 ZINC000037401928 132344158 /nfs/dbraw/zinc/34/41/58/132344158.db2.gz GJZCXPXSLPSJGD-LBPRGKRZSA-N 1 0 234.347 0.941 10 0 BCAERO CCc1ncnc(N2CC[NH2+]C[C@@H]2C)c1F ZINC000234177857 132344621 /nfs/dbraw/zinc/34/46/21/132344621.db2.gz AJGGQLSNWZNGCA-QMMMGPOBSA-N 1 0 224.283 0.976 10 0 BCAERO CN1c2ccccc2[C@@H](NCC[NH3+])CC1=O ZINC000037713032 132344951 /nfs/dbraw/zinc/34/49/51/132344951.db2.gz DBFCVCXTSVWNFV-JTQLQIEISA-N 1 0 219.288 0.643 10 0 BCAERO Cc1cccc(N2CCN(CCC[NH3+])CC2)n1 ZINC000037670382 132344962 /nfs/dbraw/zinc/34/49/62/132344962.db2.gz LMXDUASXTXLMCA-UHFFFAOYSA-N 1 0 234.347 0.861 10 0 BCAERO C[NH2+]Cc1ccc(N2CCOCC2)nc1 ZINC000040538651 132348273 /nfs/dbraw/zinc/34/82/73/132348273.db2.gz HRTQNNHQJHWSMS-UHFFFAOYSA-N 1 0 207.277 0.638 10 0 BCAERO NC(=O)[C@H]1CCCCN1c1cc[nH+]cc1N ZINC000042406013 132351196 /nfs/dbraw/zinc/35/11/96/132351196.db2.gz VYYIHTSJYTUTGE-SNVBAGLBSA-N 1 0 220.276 0.508 10 0 BCAERO CNC(=O)[C@@H]1CCCCN1c1cc[nH+]cc1N ZINC000042420749 132351526 /nfs/dbraw/zinc/35/15/26/132351526.db2.gz KMNIASVNTVMIBJ-NSHDSACASA-N 1 0 234.303 0.769 10 0 BCAERO C[C@@H]1CC[C@H](C(N)=O)CN1c1ncccc1C[NH3+] ZINC000042427010 132351656 /nfs/dbraw/zinc/35/16/56/132351656.db2.gz ZJONQRHINYESPI-KOLCDFICSA-N 1 0 248.330 0.631 10 0 BCAERO C[C@H]1CC[C@@H](C(N)=O)CN1c1ccc(C[NH3+])cn1 ZINC000042427009 132351691 /nfs/dbraw/zinc/35/16/91/132351691.db2.gz DLUHSMCKGWGSGI-GXSJLCMTSA-N 1 0 248.330 0.631 10 0 BCAERO Cc1ccc(N2CCC[C@@H](C[NH3+])C2)nn1 ZINC000044532178 132354301 /nfs/dbraw/zinc/35/43/01/132354301.db2.gz LOCMKMSIXRGESY-JTQLQIEISA-N 1 0 206.293 0.960 10 0 BCAERO NC(=O)[C@H]([NH3+])CN1CCCc2ccccc21 ZINC000045378835 132354651 /nfs/dbraw/zinc/35/46/51/132354651.db2.gz OOGDVTMNFPLWOU-SNVBAGLBSA-N 1 0 219.288 0.252 10 0 BCAERO O=C1N[C@H]2CC[NH2+]CCN2c2ccccc21 ZINC000045337990 132354696 /nfs/dbraw/zinc/35/46/96/132354696.db2.gz OCAKADOGXISKBY-LLVKDONJSA-N 1 0 217.272 0.556 10 0 BCAERO CC1(C)CN(c2ccc(C[NH3+])nn2)CCO1 ZINC000051397067 132360295 /nfs/dbraw/zinc/36/02/95/132360295.db2.gz JHNDPIQBVWDAIE-UHFFFAOYSA-N 1 0 222.292 0.551 10 0 BCAERO C[C@H]1CN(c2ccc(C[NH3+])nn2)CC(C)(C)O1 ZINC000051397726 132360377 /nfs/dbraw/zinc/36/03/77/132360377.db2.gz GHOWYLJWGVKLMH-VIFPVBQESA-N 1 0 236.319 0.939 10 0 BCAERO CC[C@H]1CN(c2ccc(C[NH2+]C)nn2)CCO1 ZINC000051444680 132361233 /nfs/dbraw/zinc/36/12/33/132361233.db2.gz JFPWMBSXYIDUGM-NSHDSACASA-N 1 0 236.319 0.811 10 0 BCAERO C[C@H]1CN(c2ccc(Cl)nn2)CC[NH2+]1 ZINC000052783314 132362364 /nfs/dbraw/zinc/36/23/64/132362364.db2.gz FDWLZDBSLRBFKM-ZETCQYMHSA-N 1 0 212.684 0.928 10 0 BCAERO Cc1cc(N2C[C@@H](C)[NH2+][C@H](C)C2)ncn1 ZINC000053712461 132363593 /nfs/dbraw/zinc/36/35/93/132363593.db2.gz QMYYIGVVHMDTQB-NXEZZACHSA-N 1 0 206.293 0.972 10 0 BCAERO Cc1cnc(C)c(N2CC[NH2+]C[C@H]2C)n1 ZINC000054374806 132364201 /nfs/dbraw/zinc/36/42/01/132364201.db2.gz VPSQCCVNWQOQCP-SECBINFHSA-N 1 0 206.293 0.892 10 0 BCAERO C[C@H]1CN(c2nccnc2C[NH3+])C[C@H](C)O1 ZINC000054376880 132364282 /nfs/dbraw/zinc/36/42/82/132364282.db2.gz ANEXQWWBBMRBDU-IUCAKERBSA-N 1 0 222.292 0.549 10 0 BCAERO NC(=[NH2+])c1cc(N2CCOCC2)ccn1 ZINC000061813965 132387299 /nfs/dbraw/zinc/38/72/99/132387299.db2.gz SCUZDUJNSWBWQY-UHFFFAOYSA-N 1 0 206.249 0.202 10 0 BCAERO [NH3+]Cc1ccc(N2CCn3ccnc3C2)nc1 ZINC000062245205 132387699 /nfs/dbraw/zinc/38/76/99/132387699.db2.gz DPXFKKWYFSIXAR-UHFFFAOYSA-N 1 0 229.287 0.757 10 0 BCAERO Cc1nccnc1N1CCC(C[NH3+])CC1 ZINC000062202206 132387728 /nfs/dbraw/zinc/38/77/28/132387728.db2.gz GLNPFSSEYZIBPK-UHFFFAOYSA-N 1 0 206.293 0.960 10 0 BCAERO NC(=O)c1ccc(Cl)cc1N1CC[NH2+]CC1 ZINC000062784840 132388871 /nfs/dbraw/zinc/38/88/71/132388871.db2.gz UVQSHVPAMNFBGL-UHFFFAOYSA-N 1 0 239.706 0.849 10 0 BCAERO NC(=O)CCN1c2ccccc2CC[C@@H]1C[NH3+] ZINC000063075368 132389260 /nfs/dbraw/zinc/38/92/60/132389260.db2.gz KIMAXKICKLTTOZ-LLVKDONJSA-N 1 0 233.315 0.642 10 0 BCAERO COC[C@H]([NH3+])C(=O)N[C@H](C)c1cccs1 ZINC000088002837 133543443 /nfs/dbraw/zinc/54/34/43/133543443.db2.gz HBWBNDQVZFRIIX-SFYZADRCSA-N 1 0 228.317 0.899 10 0 BCAERO COc1ccnc(N2CC[C@@H](C)[C@H](C[NH3+])C2)n1 ZINC000253178577 133653368 /nfs/dbraw/zinc/65/33/68/133653368.db2.gz BXOMKVVUFHHWSI-NXEZZACHSA-N 1 0 236.319 0.906 10 0 BCAERO Cc1nn(C)cc1C[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000167858129 134154129 /nfs/dbraw/zinc/15/41/29/134154129.db2.gz NRAPXLHRKDEIRC-JQWIXIFHSA-N 1 0 222.336 0.946 10 0 BCAERO C[C@H](NC(=O)[C@@H]1CCC[C@@H]1[NH3+])[C@@H]1CCCO1 ZINC000084856325 134159255 /nfs/dbraw/zinc/15/92/55/134159255.db2.gz VVDNHWRNEGMZOV-VLEAKVRGSA-N 1 0 226.320 0.798 10 0 BCAERO C[C@@H]1CN(C(=O)[C@@H]2CC[C@H]([NH3+])C2)C[C@@H](C)O1 ZINC000085008976 134220605 /nfs/dbraw/zinc/22/06/05/134220605.db2.gz CAHOPMORROQYFW-DBIOUOCHSA-N 1 0 226.320 0.750 10 0 BCAERO COCCCCNC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000085012348 134220853 /nfs/dbraw/zinc/22/08/53/134220853.db2.gz PIKZHSZZBFMRHI-ZJUUUORDSA-N 1 0 214.309 0.657 10 0 BCAERO [NH3+][C@@H]1CC[C@H](C(=O)N2CCCOCC2)C1 ZINC000085012928 134220917 /nfs/dbraw/zinc/22/09/17/134220917.db2.gz YEHNEHOSHVSZOI-VHSXEESVSA-N 1 0 212.293 0.363 10 0 BCAERO [NH3+][C@@H]1CC[C@H](C(=O)NC[C@@H]2CCOC2)C1 ZINC000085010952 134220918 /nfs/dbraw/zinc/22/09/18/134220918.db2.gz GKHNFGWFXZVWMV-LPEHRKFASA-N 1 0 212.293 0.267 10 0 BCAERO COC[C@H](C)CNC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000085012507 134221337 /nfs/dbraw/zinc/22/13/37/134221337.db2.gz QBLLIGGHSHTHKN-BBBLOLIVSA-N 1 0 214.309 0.513 10 0 BCAERO [NH3+][C@H]1CC[C@@H](C(=O)NCCc2cscn2)C1 ZINC000085013310 134221338 /nfs/dbraw/zinc/22/13/38/134221338.db2.gz GDKXHVGEOPKUQF-BDAKNGLRSA-N 1 0 239.344 0.929 10 0 BCAERO CCOC(=O)CCNC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000085012534 134221402 /nfs/dbraw/zinc/22/14/02/134221402.db2.gz XCYGBGYWWMYZNB-RKDXNWHRSA-N 1 0 228.292 0.183 10 0 BCAERO CC[C@H](C)NC(=O)NC[C@@H]1CN(C)CCO1 ZINC000170924960 134255561 /nfs/dbraw/zinc/25/55/61/134255561.db2.gz NZIHXQVOKRMSQF-VHSXEESVSA-N 1 0 229.324 0.415 10 0 BCAERO O=C(C1=COCCC1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171605783 134259710 /nfs/dbraw/zinc/25/97/10/134259710.db2.gz REYPPPLUZDBIDF-GFCCVEGCSA-N 1 0 236.315 0.987 10 0 BCAERO Cc1cccc(C(=O)NC2C[NH2+]C2)c1O ZINC000085255802 134262288 /nfs/dbraw/zinc/26/22/88/134262288.db2.gz IAPFFWYOQMRGOM-UHFFFAOYSA-N 1 0 206.245 0.402 10 0 BCAERO CN(C(=O)CC[C@@H]1CCCCO1)C1C[NH2+]C1 ZINC000085257621 134269583 /nfs/dbraw/zinc/26/95/83/134269583.db2.gz NHZRERXGBNJFDT-NSHDSACASA-N 1 0 226.320 0.766 10 0 BCAERO Cc1ccc(O)c(C(=O)N(C)C2C[NH2+]C2)c1 ZINC000085257774 134269707 /nfs/dbraw/zinc/26/97/07/134269707.db2.gz IDFGIKWQYIRPCI-UHFFFAOYSA-N 1 0 220.272 0.744 10 0 BCAERO C[C@H](C(=O)N1CCO[C@@H](C[NH+](C)C)C1)C1CC1 ZINC000175341578 134285747 /nfs/dbraw/zinc/28/57/47/134285747.db2.gz GJEGBLXEYIOAPK-JQWIXIFHSA-N 1 0 240.347 0.822 10 0 BCAERO C[C@@H]1C[N@H+](CC(C)(C)O)C[C@@H]1N1CCOCC1 ZINC000177262852 134296901 /nfs/dbraw/zinc/29/69/01/134296901.db2.gz ROMMKSYBPUADKP-NEPJUHHUSA-N 1 0 242.363 0.410 10 0 BCAERO OCC1(CN2CC[N@@H+]3CCCC[C@H]3C2)COC1 ZINC000177098717 134297167 /nfs/dbraw/zinc/29/71/67/134297167.db2.gz NWMJYPGXWPDNAH-LBPRGKRZSA-N 1 0 240.347 0.165 10 0 BCAERO COC[C@H]([NH3+])C(=O)N[C@H]1CCC[C@@H](C)C1 ZINC000220149256 134301193 /nfs/dbraw/zinc/30/11/93/134301193.db2.gz OOGMSBZLTDQAQF-UTLUCORTSA-N 1 0 214.309 0.655 10 0 BCAERO COC[C@@H](C)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000178742395 134311015 /nfs/dbraw/zinc/31/10/15/134311015.db2.gz RJWYNXHDTMVURS-BDAKNGLRSA-N 1 0 200.282 0.137 10 0 BCAERO CC(C)CC(=O)NCCC(=O)NCC[C@@H](C)[NH3+] ZINC000178618627 134311977 /nfs/dbraw/zinc/31/19/77/134311977.db2.gz JKVHMFJCBXWLKV-SNVBAGLBSA-N 1 0 243.351 0.392 10 0 BCAERO C[C@@H]([NH3+])CCNC(=O)c1ccc(N(C)C)nc1 ZINC000178654304 134312323 /nfs/dbraw/zinc/31/23/23/134312323.db2.gz UHYHIRAKCNXAQI-SECBINFHSA-N 1 0 236.319 0.615 10 0 BCAERO Cc1nc(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)no1 ZINC000179941023 134325529 /nfs/dbraw/zinc/32/55/29/134325529.db2.gz MIYUUIIBMGYGRA-VIFPVBQESA-N 1 0 236.275 0.298 10 0 BCAERO COCCC[C@@H](C)[NH2+]C[C@@H]1CN(C)CCO1 ZINC000180495267 134329039 /nfs/dbraw/zinc/32/90/39/134329039.db2.gz XCLYRIOIAZYEBT-VXGBXAGGSA-N 1 0 230.352 0.722 10 0 BCAERO CO[C@H](C)C[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000182192927 134342667 /nfs/dbraw/zinc/34/26/67/134342667.db2.gz PGDZNVSLYPYPAW-NEPJUHHUSA-N 1 0 228.336 0.428 10 0 BCAERO C[C@@H]1OCC[C@H]1[NH2+]C[C@@H](O)Cn1cccn1 ZINC000226440626 134363348 /nfs/dbraw/zinc/36/33/48/134363348.db2.gz WAGMVMRPEDBOFG-HBNTYKKESA-N 1 0 225.292 0.011 10 0 BCAERO CC(C)(C)OC(=O)CC[N@@H+]1C[C@@H](O)C[C@@H]1CO ZINC000184743159 134366321 /nfs/dbraw/zinc/36/63/21/134366321.db2.gz MUUPGHBSABKHRG-ZJUUUORDSA-N 1 0 245.319 0.146 10 0 BCAERO COC(=O)[C@H](C)C[N@@H+]1C[C@@H](C)[C@H](N(C)C)C1 ZINC000227228805 134376374 /nfs/dbraw/zinc/37/63/74/134376374.db2.gz ZBRLUDBLMQYDTE-GMTAPVOTSA-N 1 0 228.336 0.677 10 0 BCAERO CCOc1cc(N(C)[C@H]2CC[NH2+]C2)ncn1 ZINC000085482588 134378368 /nfs/dbraw/zinc/37/83/68/134378368.db2.gz GMJOJIWQZLGZBG-VIFPVBQESA-N 1 0 222.292 0.673 10 0 BCAERO C([C@@H]1COCCO1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000227350662 134378669 /nfs/dbraw/zinc/37/86/69/134378669.db2.gz CYTDTCOGAUVTNP-CHWSQXEVSA-N 1 0 240.347 0.572 10 0 BCAERO C[C@@H]1C[NH2+]C[C@@H]1C(=O)NC[C@@H](O)CC(C)(C)C ZINC000227429506 134380078 /nfs/dbraw/zinc/38/00/78/134380078.db2.gz DLDYZGAAVUFUJG-VWYCJHECSA-N 1 0 242.363 0.755 10 0 BCAERO CC(C)[C@H](CCO)NC(=O)[C@@H]1C[NH2+]C[C@@H]1C ZINC000227427150 134380296 /nfs/dbraw/zinc/38/02/96/134380296.db2.gz YASBIAOSCJGXGE-AXFHLTTASA-N 1 0 228.336 0.365 10 0 BCAERO O=C(C[N@H+]1CC[C@H](CCO)C1)NC1CCCC1 ZINC000227569579 134383035 /nfs/dbraw/zinc/38/30/35/134383035.db2.gz FAZVRXWZDBEUQI-LLVKDONJSA-N 1 0 240.347 0.750 10 0 BCAERO CCCCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](CCO)C1 ZINC000227567831 134383210 /nfs/dbraw/zinc/38/32/10/134383210.db2.gz IERQFZZDIUUDKW-NEPJUHHUSA-N 1 0 242.363 0.996 10 0 BCAERO CCCCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](CCO)C1 ZINC000227567836 134383262 /nfs/dbraw/zinc/38/32/62/134383262.db2.gz IERQFZZDIUUDKW-RYUDHWBXSA-N 1 0 242.363 0.996 10 0 BCAERO CCCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](CCO)C1 ZINC000227569023 134383577 /nfs/dbraw/zinc/38/35/77/134383577.db2.gz ZFHPTXDPOGIQGS-MNOVXSKESA-N 1 0 228.336 0.605 10 0 BCAERO OCCOCC[NH2+]CC1CCOCC1 ZINC000052175858 134385225 /nfs/dbraw/zinc/38/52/25/134385225.db2.gz HDECSDGUQYNGGV-UHFFFAOYSA-N 1 0 203.282 0.012 10 0 BCAERO CCCCOC[C@H](O)C[N@@H+]1CCC[C@@H](CO)C1 ZINC000227905681 134398992 /nfs/dbraw/zinc/39/89/92/134398992.db2.gz ZLSPMUQZTVVHJE-CHWSQXEVSA-N 1 0 245.363 0.868 10 0 BCAERO Cc1nccc(CNC[C@@](C)(O)C[NH+](C)C)n1 ZINC000227934462 134399336 /nfs/dbraw/zinc/39/93/36/134399336.db2.gz LCALDAROTMPMHZ-GFCCVEGCSA-N 1 0 238.335 0.187 10 0 BCAERO O[C@@H]1CC[C@@H]2C[N@@H+]([C@@H]3CCCC[C@@H]3O)C[C@@H]12 ZINC000228088673 134403098 /nfs/dbraw/zinc/40/30/98/134403098.db2.gz PJRHDKCLTDEGSR-VEGXAWMVSA-N 1 0 225.332 0.993 10 0 BCAERO C[C@H](C[NH2+][C@H]1CCOC[C@H]1C)N1CCOCC1 ZINC000192461925 134585140 /nfs/dbraw/zinc/58/51/40/134585140.db2.gz XNJOKVOPEPTBOD-UPJWGTAASA-N 1 0 242.363 0.722 10 0 BCAERO C[C@H]1CN(C(=O)C(C)(C)O)C[C@H]1[NH+](C)C ZINC000235605705 134597109 /nfs/dbraw/zinc/59/71/09/134597109.db2.gz NGGUCIPQBPDKAZ-DTWKUNHWSA-N 1 0 214.309 0.166 10 0 BCAERO CC(C)OCCNC(=O)[C@@H]1CCC[NH2+][C@H]1C ZINC000159232993 134766294 /nfs/dbraw/zinc/76/62/94/134766294.db2.gz OPTPIMVKCNQBKS-WDEREUQCSA-N 1 0 228.336 0.916 10 0 BCAERO O=C1NCCC[C@H]1[NH2+]C1CCC(O)CC1 ZINC000236468728 134826323 /nfs/dbraw/zinc/82/63/23/134826323.db2.gz FACDWWYFVPITAX-UDNWOFFPSA-N 1 0 212.293 0.158 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N(C)c1cccnc1 ZINC000069764094 134902317 /nfs/dbraw/zinc/90/23/17/134902317.db2.gz YZQZBAOQGPCFJW-MWLCHTKSSA-N 1 0 219.288 0.900 10 0 BCAERO C[C@H](O)[C@@H]1CC[N@H+](C[C@@H](O)COC(C)(C)C)C1 ZINC000248547151 135003484 /nfs/dbraw/zinc/00/34/84/135003484.db2.gz JOCNKZXHGOLZRT-QJPTWQEYSA-N 1 0 245.363 0.865 10 0 BCAERO C[C@@H]1CCC[N@@H+]1C[C@H](O)CN1CCCC1=O ZINC000076115062 135010501 /nfs/dbraw/zinc/01/05/01/135010501.db2.gz FPZXAXPTOKNPEP-MNOVXSKESA-N 1 0 226.320 0.454 10 0 BCAERO CCCCOC[C@H](O)C[N@H+](C)CC[C@H](C)O ZINC000248655558 135018343 /nfs/dbraw/zinc/01/83/43/135018343.db2.gz QLTDHQNORLEWIA-NWDGAFQWSA-N 1 0 233.352 0.867 10 0 BCAERO Cc1nccc(C[NH2+]CCCOCCO)n1 ZINC000230784079 135021692 /nfs/dbraw/zinc/02/16/92/135021692.db2.gz URBKZSSLNIZHFI-UHFFFAOYSA-N 1 0 225.292 0.274 10 0 BCAERO c1cnc(N2CC[N@@H+]3CCC[C@H]3C2)cn1 ZINC000248890578 135025382 /nfs/dbraw/zinc/02/53/82/135025382.db2.gz BIJQCUXCADJEGB-JTQLQIEISA-N 1 0 204.277 0.761 10 0 BCAERO CSC[C@@H](O)CN1CC[N@@H+]2CCCC[C@H]2C1 ZINC000249459639 135039838 /nfs/dbraw/zinc/03/98/38/135039838.db2.gz ONTSTRUCJPQCRK-RYUDHWBXSA-N 1 0 244.404 0.880 10 0 BCAERO COC(=O)[C@H](C1CC1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000250368675 135052806 /nfs/dbraw/zinc/05/28/06/135052806.db2.gz MNQMTQMDWDGBOI-RYUDHWBXSA-N 1 0 238.331 0.718 10 0 BCAERO CCCNC(=O)[C@H](C)[NH2+][C@@H]1CCO[C@H]1C ZINC000250346227 135052910 /nfs/dbraw/zinc/05/29/10/135052910.db2.gz BSAJRQFTLIVSQN-LPEHRKFASA-N 1 0 214.309 0.668 10 0 BCAERO OCC[C@@H]1CC[N@H+](C[C@H](O)C(F)(F)F)C1 ZINC000163699665 135055806 /nfs/dbraw/zinc/05/58/06/135055806.db2.gz PZHGJPWLKOBBHN-YUMQZZPRSA-N 1 0 227.226 0.614 10 0 BCAERO C[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000250878204 135060554 /nfs/dbraw/zinc/06/05/54/135060554.db2.gz TXGROQKERZMZFL-TUAOUCFPSA-N 1 0 240.347 0.869 10 0 BCAERO C[C@H](O)CC[N@@H+]1CCN2CCCC[C@H]2C1 ZINC000251234600 135067181 /nfs/dbraw/zinc/06/71/81/135067181.db2.gz RAVYWJVWYKSNSK-RYUDHWBXSA-N 1 0 212.337 0.927 10 0 BCAERO C[C@H](CCCO)NC(=O)[C@@H]1CCC[C@H]1[NH3+] ZINC000251247048 135067397 /nfs/dbraw/zinc/06/73/97/135067397.db2.gz TYSZPAQNUZGYIJ-OPRDCNLKSA-N 1 0 214.309 0.391 10 0 BCAERO C[C@H](O)CCN1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000251759510 135076218 /nfs/dbraw/zinc/07/62/18/135076218.db2.gz LTDIZPKQIYXLAW-WOPDTQHZSA-N 1 0 212.337 0.926 10 0 BCAERO COC[C@H]([NH3+])C(=O)N1C[C@H](C)CC[C@H]1C ZINC000251999392 135088097 /nfs/dbraw/zinc/08/80/97/135088097.db2.gz ZVLCUGVPXLTPLG-BBBLOLIVSA-N 1 0 214.309 0.607 10 0 BCAERO Cc1c(CN2C[C@@H](C)[NH2+]C[C@@H]2C)cnn1C ZINC000086552445 135089483 /nfs/dbraw/zinc/08/94/83/135089483.db2.gz HBHRECCSBKCVFP-ZJUUUORDSA-N 1 0 222.336 0.911 10 0 BCAERO Cc1c(CN2C[C@H](C)[NH2+][C@@H](C)C2)cnn1C ZINC000086552440 135089730 /nfs/dbraw/zinc/08/97/30/135089730.db2.gz JPYSPJWGFJBARY-UWVGGRQHSA-N 1 0 222.336 0.911 10 0 BCAERO COc1cc(N(C)CC(C)(C)C[NH3+])ncn1 ZINC000086638613 135091697 /nfs/dbraw/zinc/09/16/97/135091697.db2.gz GNRZEJMPJGSMCR-UHFFFAOYSA-N 1 0 224.308 0.906 10 0 BCAERO CN1CCO[C@H](C[NH2+]C[C@H]2CCCOC2)C1 ZINC000252554283 135091818 /nfs/dbraw/zinc/09/18/18/135091818.db2.gz ROTGUQUMNSDAAG-VXGBXAGGSA-N 1 0 228.336 0.333 10 0 BCAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1CC(C)(C)O ZINC000252675119 135095115 /nfs/dbraw/zinc/09/51/15/135095115.db2.gz WYUBIFVZIHVNGK-QWRGUYRKSA-N 1 0 212.337 0.926 10 0 BCAERO OC[C@H](N[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000086730003 135095539 /nfs/dbraw/zinc/09/55/39/135095539.db2.gz UYCUPMVAFIEHHR-NEPJUHHUSA-N 1 0 206.289 0.672 10 0 BCAERO Oc1ccc(CCN[C@H]2CC[NH2+]C2)cc1 ZINC000086729176 135096083 /nfs/dbraw/zinc/09/60/83/135096083.db2.gz PNSSKDFFLNVQCF-NSHDSACASA-N 1 0 206.289 0.886 10 0 BCAERO OC[C@H]1CN(CC[NH+]2CCCCC2)CCO1 ZINC000086831669 135097117 /nfs/dbraw/zinc/09/71/17/135097117.db2.gz ZIKGYHDALSFUDL-GFCCVEGCSA-N 1 0 228.336 0.165 10 0 BCAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C[C@@H]1COCCO1 ZINC000252693918 135097546 /nfs/dbraw/zinc/09/75/46/135097546.db2.gz SUJOFHDVLRRAHI-FRRDWIJNSA-N 1 0 240.347 0.570 10 0 BCAERO COc1ccc(C)cc1CCNC(=O)C1C[NH2+]C1 ZINC000258639457 135102249 /nfs/dbraw/zinc/10/22/49/135102249.db2.gz FAFBGRLUQQMDSF-UHFFFAOYSA-N 1 0 248.326 0.882 10 0 BCAERO CNC(=O)c1c[nH]nc1[C@H]1CCC[NH2+]C1 ZINC000261533297 135109158 /nfs/dbraw/zinc/10/91/58/135109158.db2.gz KQTGRQCNNPTHDV-ZETCQYMHSA-N 1 0 208.265 0.236 10 0 BCAERO CCOc1ncccc1CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000078243347 135111195 /nfs/dbraw/zinc/11/11/95/135111195.db2.gz VCLOBJBRIJRCDC-NSHDSACASA-N 1 0 249.314 0.849 10 0 BCAERO CC(C)[NH2+]CCN1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000252851929 135112554 /nfs/dbraw/zinc/11/25/54/135112554.db2.gz FYLULRACTGYZMK-SDDRHHMPSA-N 1 0 212.337 0.687 10 0 BCAERO COC(=O)[C@H](C)C[N@@H+]1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000252873584 135114757 /nfs/dbraw/zinc/11/47/57/135114757.db2.gz PNADGDCMXSAXMJ-VPOLOUISSA-N 1 0 227.304 0.498 10 0 BCAERO CC(=O)N[C@@H](C)C(=O)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000262132223 135115826 /nfs/dbraw/zinc/11/58/26/135115826.db2.gz WPTIJDYYWSJPSU-WCBMZHEXSA-N 1 0 241.335 0.097 10 0 BCAERO O=C(N[C@@H]1CCOC1)N[C@H]1CCCC[NH2+]C1 ZINC000087313967 135123473 /nfs/dbraw/zinc/12/34/73/135123473.db2.gz PEFBVLXRSWRIEQ-VHSXEESVSA-N 1 0 227.308 0.217 10 0 BCAERO Cc1ccc(CNC(=O)NC2C[NH2+]C2)cc1 ZINC000258058321 135132325 /nfs/dbraw/zinc/13/23/25/135132325.db2.gz HYSHSSSOVNAKOX-UHFFFAOYSA-N 1 0 219.288 0.766 10 0 BCAERO C[C@@H]([NH3+])CC(=O)NCCC1CCOCC1 ZINC000258645145 135132751 /nfs/dbraw/zinc/13/27/51/135132751.db2.gz AHZUDPDWRVDFDY-SECBINFHSA-N 1 0 214.309 0.657 10 0 BCAERO CCS(=O)(=O)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000259082214 135136593 /nfs/dbraw/zinc/13/65/93/135136593.db2.gz IYTNAYZEFFLSMR-QMMMGPOBSA-N 1 0 220.338 0.395 10 0 BCAERO [NH3+][C@H](C(=O)N1CCCC1)C1CCOCC1 ZINC000259154995 135137575 /nfs/dbraw/zinc/13/75/75/135137575.db2.gz VAHGBHAEACYBII-JTQLQIEISA-N 1 0 212.293 0.363 10 0 BCAERO Cc1cc(NC(=O)[C@@H]2CC[NH2+]C2)nn1C ZINC000257739309 135140855 /nfs/dbraw/zinc/14/08/55/135140855.db2.gz XRNMMWJPYCAJHQ-MRVPVSSYSA-N 1 0 208.265 0.277 10 0 BCAERO CC(C)C[C@@H]1C(=O)NCCC[N@H+]1C[C@@H](C)O ZINC000257793640 135141549 /nfs/dbraw/zinc/14/15/49/135141549.db2.gz RFJIODXLAMBUQH-GHMZBOCLSA-N 1 0 228.336 0.604 10 0 BCAERO Cc1cc(C)c(C(=O)N(C)C2C[NH2+]C2)o1 ZINC000261545425 135146366 /nfs/dbraw/zinc/14/63/66/135146366.db2.gz JYILAOJFABEGKU-UHFFFAOYSA-N 1 0 208.261 0.940 10 0 BCAERO C[NH2+][C@@H](C)CNC(=O)[C@@H]1CSCCS1 ZINC000261528122 135152943 /nfs/dbraw/zinc/15/29/43/135152943.db2.gz JHBRMJOHYBLHFY-YUMQZZPRSA-N 1 0 234.390 0.559 10 0 BCAERO CSC[C@H](C)C(=O)N1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000261528013 135153081 /nfs/dbraw/zinc/15/30/81/135153081.db2.gz IQIKPAQIRBXXND-VGMNWLOBSA-N 1 0 216.350 0.791 10 0 BCAERO CC(C)(O)C[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261529492 135155481 /nfs/dbraw/zinc/15/54/81/135155481.db2.gz SPICBADPRIVDQL-SECBINFHSA-N 1 0 200.326 0.817 10 0 BCAERO C[C@H]([NH3+])C(=O)N1CCC[C@H]1C[C@H](C)O ZINC000261529956 135156349 /nfs/dbraw/zinc/15/63/49/135156349.db2.gz WHICQRFFRAXXQY-CIUDSAMLSA-N 1 0 200.282 0.096 10 0 BCAERO CO[C@H](C)CNC(=O)[C@@H]1CCC[NH2+][C@H]1C ZINC000261530801 135158622 /nfs/dbraw/zinc/15/86/22/135158622.db2.gz DDKYZXQZNOJYCH-KXUCPTDWSA-N 1 0 214.309 0.526 10 0 BCAERO CCn1nccc1CN1C[C@H](C)[C@H]([NH3+])C1 ZINC000261531329 135159783 /nfs/dbraw/zinc/15/97/83/135159783.db2.gz GDNBOWCMEZUAFC-GXSJLCMTSA-N 1 0 208.309 0.682 10 0 BCAERO C[C@H]([NH3+])[C@H](C)C(=O)N1CCN(C)C[C@H]1C ZINC000261531519 135161229 /nfs/dbraw/zinc/16/12/29/135161229.db2.gz GWOBZMNSDWPLQK-UTLUCORTSA-N 1 0 213.325 0.132 10 0 BCAERO O=C(NC[C@@H]1CC[NH2+]C1)NC1CCCC1 ZINC000087655045 135161920 /nfs/dbraw/zinc/16/19/20/135161920.db2.gz ZMOJUJOGEFMPNA-SECBINFHSA-N 1 0 211.309 0.838 10 0 BCAERO Cc1cc(C(=O)NC[C@@H]2CC[NH2+]C2)on1 ZINC000087654893 135162122 /nfs/dbraw/zinc/16/21/22/135162122.db2.gz ZORKROZRPKMYKO-MRVPVSSYSA-N 1 0 209.249 0.322 10 0 BCAERO O=C(NC[C@@H]1CCCS1)C1C[NH2+]C1 ZINC000087668714 135163158 /nfs/dbraw/zinc/16/31/58/135163158.db2.gz NZCPTDPUPIWKCL-QMMMGPOBSA-N 1 0 200.307 0.218 10 0 BCAERO [NH3+][C@@H]1CCC[C@@H]1C(=O)NC[C@H](O)C(F)(F)F ZINC000261532690 135163578 /nfs/dbraw/zinc/16/35/78/135163578.db2.gz CHXUBPOAWFLDPQ-XVMARJQXSA-N 1 0 240.225 0.153 10 0 BCAERO C[C@@H](C(=O)N1CCC([C@H](C)O)CC1)[C@H](C)[NH3+] ZINC000261533676 135165636 /nfs/dbraw/zinc/16/56/36/135165636.db2.gz JTUWWBBHERYOTC-UTLUCORTSA-N 1 0 228.336 0.589 10 0 BCAERO COC[C@H]([NH3+])C(=O)NC[C@H]1CCC[C@H](C)C1 ZINC000261533978 135166091 /nfs/dbraw/zinc/16/60/91/135166091.db2.gz MJWWOWHAFSKYFE-DCAQKATOSA-N 1 0 228.336 0.903 10 0 BCAERO CCC[C@@](C)([NH3+])C(=O)NC1=NCCS1 ZINC000261534562 135167970 /nfs/dbraw/zinc/16/79/70/135167970.db2.gz MOTYBZJAWCLQDK-SECBINFHSA-N 1 0 215.322 0.723 10 0 BCAERO CO[C@@H](C)C(=O)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261535086 135168741 /nfs/dbraw/zinc/16/87/41/135168741.db2.gz NSTLGNWKCWTEIL-DTWKUNHWSA-N 1 0 214.309 0.607 10 0 BCAERO C[C@H]1CCN(Cc2nccn2C)[C@H](C[NH3+])C1 ZINC000261534997 135169153 /nfs/dbraw/zinc/16/91/53/135169153.db2.gz VKFXQYYJHKKHDF-QWRGUYRKSA-N 1 0 222.336 0.979 10 0 BCAERO CCN(C(=O)[C@@H]([NH3+])COC)C1CCC1 ZINC000261536320 135171604 /nfs/dbraw/zinc/17/16/04/135171604.db2.gz RGABHDRIEGJKQS-VIFPVBQESA-N 1 0 200.282 0.361 10 0 BCAERO CC[C@@H](OC)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000261536081 135171736 /nfs/dbraw/zinc/17/17/36/135171736.db2.gz QHLQOYIWDYUMCA-DTWKUNHWSA-N 1 0 200.282 0.361 10 0 BCAERO CCCCN(C)S(=O)(=O)NC[C@@H](C)[NH2+]C ZINC000261536550 135171858 /nfs/dbraw/zinc/17/18/58/135171858.db2.gz SCKNDBDBAWTWKP-SECBINFHSA-N 1 0 237.369 0.161 10 0 BCAERO Cc1nc([C@@H](C)NC(=O)[C@@H](C)[NH3+])cs1 ZINC000261537029 135172719 /nfs/dbraw/zinc/17/27/19/135172719.db2.gz UPNMJAYISJXZQZ-PHDIDXHHSA-N 1 0 213.306 0.976 10 0 BCAERO CC(C)([NH3+])CNc1ncnc2n[nH]cc21 ZINC000261536921 135173161 /nfs/dbraw/zinc/17/31/61/135173161.db2.gz UGKHTRJKTDAZOK-UHFFFAOYSA-N 1 0 206.253 0.502 10 0 BCAERO CCCNC(=O)[C@H]([NH3+])C1CCOCC1 ZINC000261536927 135173215 /nfs/dbraw/zinc/17/32/15/135173215.db2.gz UGZLIPCFBRPVCH-SECBINFHSA-N 1 0 200.282 0.267 10 0 BCAERO CCN(C)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261538595 135176188 /nfs/dbraw/zinc/17/61/88/135176188.db2.gz YRCGLMVZNXSECX-LPEHRKFASA-N 1 0 211.309 0.727 10 0 BCAERO O=C(Cc1ccccc1)NCC1C[NH2+]C1 ZINC000261539454 135177630 /nfs/dbraw/zinc/17/76/30/135177630.db2.gz CMIJIKOOFAWWDJ-UHFFFAOYSA-N 1 0 204.273 0.565 10 0 BCAERO CC[C@@H]1CC[C@H](C(=O)NC[C@H](C)[NH2+]C)O1 ZINC000261539229 135177745 /nfs/dbraw/zinc/17/77/45/135177745.db2.gz BWIJGDUSMLIXOZ-IVZWLZJFSA-N 1 0 214.309 0.668 10 0 BCAERO O=C(NC1CC[NH2+]CC1)[C@@H]1C[C@@H]1C1CC1 ZINC000261539977 135178421 /nfs/dbraw/zinc/17/84/21/135178421.db2.gz DJVBMBIDUFDZLE-GHMZBOCLSA-N 1 0 208.305 0.901 10 0 BCAERO C[NH2+]C[C@H]1CCN(C(=O)[C@@H](C)COC)C1 ZINC000261539767 135178700 /nfs/dbraw/zinc/17/87/00/135178700.db2.gz DCMOXISTDXLVDZ-VHSXEESVSA-N 1 0 214.309 0.337 10 0 BCAERO CN(Cc1ccon1)C(=O)[C@H]1CC[NH2+]C1 ZINC000261540047 135178707 /nfs/dbraw/zinc/17/87/07/135178707.db2.gz DQMRZQVJGSYLOD-QMMMGPOBSA-N 1 0 209.249 0.243 10 0 BCAERO CC1CC(NC(=O)[C@H]2CC(F)(F)CN2)C1 ZINC000261539928 135178761 /nfs/dbraw/zinc/17/87/61/135178761.db2.gz DJKAUGRAOXYZMA-KAVNDROISA-N 1 0 218.247 0.898 10 0 BCAERO Cc1cc(C(=O)N2CCCC[C@H]2C[NH3+])nn1C ZINC000261539841 135178988 /nfs/dbraw/zinc/17/89/88/135178988.db2.gz BULAWLNWBOAVLW-JTQLQIEISA-N 1 0 236.319 0.682 10 0 BCAERO COc1cc(N2CC[C@@]3(CC[NH2+]C3)C2)ncn1 ZINC000261540961 135180060 /nfs/dbraw/zinc/18/00/60/135180060.db2.gz ASFWGQPUAIYLIL-GFCCVEGCSA-N 1 0 234.303 0.675 10 0 BCAERO COc1ccnc(N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)n1 ZINC000261540911 135180305 /nfs/dbraw/zinc/18/03/05/135180305.db2.gz AOLGVIOLUOEHMQ-GUBZILKMSA-N 1 0 234.303 0.659 10 0 BCAERO CC1(C)CN(C(=O)Cn2cccn2)CC[C@H]1[NH3+] ZINC000261541483 135180729 /nfs/dbraw/zinc/18/07/29/135180729.db2.gz BCDLJKZGJHTXLG-SNVBAGLBSA-N 1 0 236.319 0.469 10 0 BCAERO Cc1ncsc1CNC[C@@H]1C[NH2+]C[C@@H]1O ZINC000261542023 135182543 /nfs/dbraw/zinc/18/25/43/135182543.db2.gz GIPDUDMBNQMOMM-IUCAKERBSA-N 1 0 227.333 0.121 10 0 BCAERO Cc1ncsc1CNC[C@@H]1C[NH2+]C[C@H]1O ZINC000261542022 135182704 /nfs/dbraw/zinc/18/27/04/135182704.db2.gz GIPDUDMBNQMOMM-DTWKUNHWSA-N 1 0 227.333 0.121 10 0 BCAERO COc1cc(OC)nc(N2CC[C@@H]([NH3+])[C@@H]2C)n1 ZINC000261542749 135183057 /nfs/dbraw/zinc/18/30/57/135183057.db2.gz CLIQDANJXDDXGD-JGVFFNPUSA-N 1 0 238.291 0.420 10 0 BCAERO C[C@H](C(=O)NC[C@H]1CC[NH2+]C1)C(F)(F)F ZINC000261543200 135184014 /nfs/dbraw/zinc/18/40/14/135184014.db2.gz HPPHCBVOQDKLIE-RQJHMYQMSA-N 1 0 224.226 0.911 10 0 BCAERO Cc1cc2c(N3CC[C@@H]([NH3+])[C@@H]3C)nccn2n1 ZINC000261543662 135184879 /nfs/dbraw/zinc/18/48/79/135184879.db2.gz DDUGNFYFVFXUJK-VHSXEESVSA-N 1 0 231.303 0.964 10 0 BCAERO Cc1cc2c(N3C[C@H](C)[C@H]([NH3+])C3)nccn2n1 ZINC000261543869 135185040 /nfs/dbraw/zinc/18/50/40/135185040.db2.gz WHFMXTAJJKAXOG-WCBMZHEXSA-N 1 0 231.303 0.821 10 0 BCAERO CO[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1CC[NH2+]1 ZINC000261544536 135186060 /nfs/dbraw/zinc/18/60/60/135186060.db2.gz IZASUPWPTPXJTF-IVZWLZJFSA-N 1 0 212.293 0.422 10 0 BCAERO COC[C@H](C)C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000261544876 135186255 /nfs/dbraw/zinc/18/62/55/135186255.db2.gz JHIMZZFLKGDZFP-LPEHRKFASA-N 1 0 214.309 0.465 10 0 BCAERO COC[C@@]1(CNc2ccnc(C)n2)CCC[NH2+]1 ZINC000261545155 135186773 /nfs/dbraw/zinc/18/67/73/135186773.db2.gz FRUHFNAGKYVAQH-LBPRGKRZSA-N 1 0 236.319 0.966 10 0 BCAERO C[C@@H]1[C@@H]([NH3+])CCN1CC(=O)N1CCCC[C@H]1C ZINC000261548921 135187296 /nfs/dbraw/zinc/18/72/96/135187296.db2.gz JZDFKKGZJAXKIF-UTUOFQBUSA-N 1 0 239.363 0.809 10 0 BCAERO CC[C@H](C)NC(=O)CN1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261550933 135189750 /nfs/dbraw/zinc/18/97/50/135189750.db2.gz LPDAONJGWBZTDJ-QWRGUYRKSA-N 1 0 241.379 0.960 10 0 BCAERO CC[C@@H](C)NC(=O)CN1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261550932 135190011 /nfs/dbraw/zinc/19/00/11/135190011.db2.gz LPDAONJGWBZTDJ-MNOVXSKESA-N 1 0 241.379 0.960 10 0 BCAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)c1cccs1 ZINC000261552184 135191149 /nfs/dbraw/zinc/19/11/49/135191149.db2.gz RAGVJKXXHLRZID-YUMQZZPRSA-N 1 0 226.301 0.058 10 0 BCAERO C[NH2+]CC(=O)N[C@@H]1[C@H](C)[C@@H](OC)C1(C)C ZINC000261552414 135191415 /nfs/dbraw/zinc/19/14/15/135191415.db2.gz RKAYNLNGMGPENA-FXBDTBDDSA-N 1 0 214.309 0.382 10 0 BCAERO O=C(NC[C@H]1C[NH2+]C[C@H]1O)c1cccs1 ZINC000261552181 135191511 /nfs/dbraw/zinc/19/15/11/135191511.db2.gz RAGVJKXXHLRZID-HTQZYQBOSA-N 1 0 226.301 0.058 10 0 BCAERO CC(C)(C)CC(=O)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000261552847 135191773 /nfs/dbraw/zinc/19/17/73/135191773.db2.gz RXQJZODLKMDPME-DTWKUNHWSA-N 1 0 214.309 0.119 10 0 BCAERO CSCCC(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000084212540 135191795 /nfs/dbraw/zinc/19/17/95/135191795.db2.gz XBOITHCDHJBISM-BDAKNGLRSA-N 1 0 216.350 0.983 10 0 BCAERO COC[C@H](C)C(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000261553167 135192017 /nfs/dbraw/zinc/19/20/17/135192017.db2.gz SFKRZQHEBCBULM-AEJSXWLSSA-N 1 0 214.309 0.526 10 0 BCAERO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@@H]1C[C@@H]1C1CC1 ZINC000261553213 135192572 /nfs/dbraw/zinc/19/25/72/135192572.db2.gz SJEHRLXEHBXQOY-APLZJWDSSA-N 1 0 206.289 0.367 10 0 BCAERO CC[C@@H](NC(=O)CC[C@H]1CCC[NH2+]1)C(=O)OC ZINC000261554139 135193383 /nfs/dbraw/zinc/19/33/83/135193383.db2.gz ONZIMXSDBBFZGY-NXEZZACHSA-N 1 0 242.319 0.586 10 0 BCAERO CC(C)N(C)C(=O)CN1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261554564 135194164 /nfs/dbraw/zinc/19/41/64/135194164.db2.gz OYPXAMKJFJWJFK-LLVKDONJSA-N 1 0 241.379 0.912 10 0 BCAERO [NH3+]C1(C(=O)NC[C@H]2CCC[C@@H]2O)CCCC1 ZINC000084238980 135194588 /nfs/dbraw/zinc/19/45/88/135194588.db2.gz IDTFLYGVDMHGOB-ZJUUUORDSA-N 1 0 226.320 0.535 10 0 BCAERO [NH3+][C@@H]1CC[C@H]2CN(Cc3nnnn3C3CC3)C[C@@H]12 ZINC000261555358 135195176 /nfs/dbraw/zinc/19/51/76/135195176.db2.gz BKCJUIYCWXWEKI-JMJZKYOTSA-N 1 0 248.334 0.177 10 0 BCAERO [NH3+][C@@H]1CC[C@@H]2CN(Cc3nnnn3C3CC3)C[C@H]12 ZINC000261555355 135195188 /nfs/dbraw/zinc/19/51/88/135195188.db2.gz BKCJUIYCWXWEKI-DVVUODLYSA-N 1 0 248.334 0.177 10 0 BCAERO C[C@H](NC(=O)CCOC1C[NH2+]C1)C1CC1 ZINC000261556047 135195904 /nfs/dbraw/zinc/19/59/04/135195904.db2.gz VPGFRHRZURXFAG-QMMMGPOBSA-N 1 0 212.293 0.280 10 0 BCAERO C[C@H](CC1CC1)NC(=O)COC1C[NH2+]C1 ZINC000261557003 135197110 /nfs/dbraw/zinc/19/71/10/135197110.db2.gz WPNPZOBHBUSESE-MRVPVSSYSA-N 1 0 212.293 0.280 10 0 BCAERO C[C@@H]1CCC[C@H]([NH2+]C[C@H]2C[NH2+]C[C@@H]2O)C1 ZINC000261558622 135199658 /nfs/dbraw/zinc/19/96/58/135199658.db2.gz YNIAPKKHKHUJKX-WYUUTHIRSA-N 1 0 212.337 0.735 10 0 BCAERO COC[C@@]1(CNc2nccnc2C)CCC[NH2+]1 ZINC000261559756 135200672 /nfs/dbraw/zinc/20/06/72/135200672.db2.gz UAHUOGGBZCAXAO-LBPRGKRZSA-N 1 0 236.319 0.966 10 0 BCAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)[C@H](O)c1ccccc1 ZINC000261560153 135201165 /nfs/dbraw/zinc/20/11/65/135201165.db2.gz UGMVNCFBCWYIAY-ADEWGFFLSA-N 1 0 234.299 0.668 10 0 BCAERO COC[C@H](C)C(=O)N1CC[NH2+][C@H](C)[C@H]1C ZINC000261560127 135201375 /nfs/dbraw/zinc/20/13/75/135201375.db2.gz ZRJQFBIPUXORJX-IVZWLZJFSA-N 1 0 214.309 0.478 10 0 BCAERO Cc1cc(C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)nn1C ZINC000261560239 135201392 /nfs/dbraw/zinc/20/13/92/135201392.db2.gz FBSNOONMVWUXFL-HBNTYKKESA-N 1 0 248.330 0.538 10 0 BCAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)C[C@@H]1CCCCO1 ZINC000261561163 135201713 /nfs/dbraw/zinc/20/17/13/135201713.db2.gz AKLNHWRJKSDXDK-VWYCJHECSA-N 1 0 226.320 0.894 10 0 BCAERO Cc1c(CN2CC[C@H]3[NH2+]CC[C@@H]3C2)cnn1C ZINC000261562066 135203775 /nfs/dbraw/zinc/20/37/75/135203775.db2.gz VZHSIHWXEWWYME-DGCLKSJQSA-N 1 0 234.347 0.912 10 0 BCAERO CC(C)(C)NC(=O)CN1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261564564 135206620 /nfs/dbraw/zinc/20/66/20/135206620.db2.gz XSUMMJXTPNYYSM-GARJFASQSA-N 1 0 239.363 0.570 10 0 BCAERO Cc1cc(C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)n(C)n1 ZINC000261565990 135207954 /nfs/dbraw/zinc/20/79/54/135207954.db2.gz HZQVMYOFVIKBRF-GARJFASQSA-N 1 0 248.330 0.538 10 0 BCAERO COC(=O)[C@H](C)NC(=O)C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000261567642 135209309 /nfs/dbraw/zinc/20/93/09/135209309.db2.gz ZZGRBUJVDDNOGT-GUBZILKMSA-N 1 0 242.319 0.572 10 0 BCAERO CCOC(=O)CNC(=O)CC[C@H]1CCC[NH2+]1 ZINC000261567512 135209452 /nfs/dbraw/zinc/20/94/52/135209452.db2.gz DYPINAROEPRFGB-SECBINFHSA-N 1 0 228.292 0.198 10 0 BCAERO COC(=O)[C@H](C)NC(=O)C[C@H]1CCCC[C@H]1[NH3+] ZINC000261567643 135209879 /nfs/dbraw/zinc/20/98/79/135209879.db2.gz ZZGRBUJVDDNOGT-IVZWLZJFSA-N 1 0 242.319 0.572 10 0 BCAERO Cc1nnc(N2CC[C@@H](C)[C@H](C[NH3+])C2)nc1C ZINC000163929207 135210251 /nfs/dbraw/zinc/21/02/51/135210251.db2.gz ZSKMTBBKHYJJOY-LDYMZIIASA-N 1 0 235.335 0.910 10 0 BCAERO Cn1nccc1CN1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261568932 135211638 /nfs/dbraw/zinc/21/16/38/135211638.db2.gz FZPPJRLUDJPIAU-WCQGTBRESA-N 1 0 220.320 0.589 10 0 BCAERO CN(C)c1nccc(N2CC[C@@H]3[NH2+]CC[C@@H]3C2)n1 ZINC000261569828 135212341 /nfs/dbraw/zinc/21/23/41/135212341.db2.gz KBKISVLNFSBBET-MNOVXSKESA-N 1 0 247.346 0.731 10 0 BCAERO CCC[C@H]([NH3+])C(=O)NC[C@@H](OC)C(C)C ZINC000261572398 135213815 /nfs/dbraw/zinc/21/38/15/135213815.db2.gz ICROUUQBKJSUPN-VHSXEESVSA-N 1 0 216.325 0.901 10 0 BCAERO Cc1c(C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)cnn1C ZINC000261572159 135213878 /nfs/dbraw/zinc/21/38/78/135213878.db2.gz LMRXDWQYZYPOEI-GHMZBOCLSA-N 1 0 248.330 0.410 10 0 BCAERO Cc1c(C(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)cnn1C ZINC000261572164 135213991 /nfs/dbraw/zinc/21/39/91/135213991.db2.gz LMRXDWQYZYPOEI-WDEREUQCSA-N 1 0 248.330 0.410 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)NC[C@@H](OC)C(C)C ZINC000261572396 135214086 /nfs/dbraw/zinc/21/40/86/135214086.db2.gz ICROUUQBKJSUPN-NXEZZACHSA-N 1 0 216.325 0.901 10 0 BCAERO Cc1nccc(N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)n1 ZINC000261571745 135214099 /nfs/dbraw/zinc/21/40/99/135214099.db2.gz HUTAGUYJDSHVNS-AXFHLTTASA-N 1 0 218.304 0.959 10 0 BCAERO C(c1nc([C@H]2CCOC2)no1)[C@@H]1CC[NH2+]C1 ZINC000084380395 135216026 /nfs/dbraw/zinc/21/60/26/135216026.db2.gz OAKJEOZHLVMSQC-IUCAKERBSA-N 1 0 223.276 0.726 10 0 BCAERO Cn1cc(CN2CC[C@@H]([NH3+])C(C)(C)C2)cn1 ZINC000261576023 135217728 /nfs/dbraw/zinc/21/77/28/135217728.db2.gz KAZNFVAKJOAENJ-LLVKDONJSA-N 1 0 222.336 0.979 10 0 BCAERO Cc1ccnc(N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)n1 ZINC000261576015 135217798 /nfs/dbraw/zinc/21/77/98/135217798.db2.gz KAXGODSAXMEJEU-AXFHLTTASA-N 1 0 218.304 0.959 10 0 BCAERO CC(C)N(C)C(=O)CN1CC[C@@](C)(C[NH3+])C1 ZINC000261577069 135218779 /nfs/dbraw/zinc/21/87/79/135218779.db2.gz KVSNXSHLXPISNN-LBPRGKRZSA-N 1 0 227.352 0.524 10 0 BCAERO C[C@@H]1[C@H]([NH3+])CCN1c1nnnn1-c1ccccc1 ZINC000261578464 135219863 /nfs/dbraw/zinc/21/98/63/135219863.db2.gz OZZXKNLWJCGDOA-MWLCHTKSSA-N 1 0 244.302 0.588 10 0 BCAERO O=C([C@H]1CCCO1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261580643 135221355 /nfs/dbraw/zinc/22/13/55/135221355.db2.gz NAFSJRIJAQNAIW-OUAUKWLOSA-N 1 0 224.304 0.376 10 0 BCAERO Cc1nc([C@@H]2CCCN2C[C@H](C)[NH3+])no1 ZINC000261582037 135222359 /nfs/dbraw/zinc/22/23/59/135222359.db2.gz NZVHRZJQAHKLNN-CBAPKCEASA-N 1 0 210.281 0.862 10 0 BCAERO CN(C)c1nccc(N2CC[C@@]3(CC[NH2+]C3)C2)n1 ZINC000261581267 135222409 /nfs/dbraw/zinc/22/24/09/135222409.db2.gz QMMWBPZYFFRSBC-CYBMUJFWSA-N 1 0 247.346 0.732 10 0 BCAERO C[C@@H]1[C@@H]([NH3+])CCN1S(=O)(=O)N1CCCCC1 ZINC000261582389 135223211 /nfs/dbraw/zinc/22/32/11/135223211.db2.gz OICXEKQOHHKZKB-ZJUUUORDSA-N 1 0 247.364 0.139 10 0 BCAERO C[C@H]1[C@H]([NH3+])CCN1S(=O)(=O)N1CCCCC1 ZINC000261582388 135223413 /nfs/dbraw/zinc/22/34/13/135223413.db2.gz OICXEKQOHHKZKB-VHSXEESVSA-N 1 0 247.364 0.139 10 0 BCAERO Cc1cnc(N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)nc1 ZINC000261582763 135223510 /nfs/dbraw/zinc/22/35/10/135223510.db2.gz OQONBVKSSHMVRJ-GARJFASQSA-N 1 0 218.304 0.959 10 0 BCAERO C[C@@H]1CN(S(=O)(=O)CCC2CCC2)C[C@@H]1[NH3+] ZINC000261588837 135229469 /nfs/dbraw/zinc/22/94/69/135229469.db2.gz SPWLNNKZZVXRLW-KOLCDFICSA-N 1 0 246.376 0.785 10 0 BCAERO CC[C@@H]1C[C@@H](C)CN1C(=O)[C@@H]([NH3+])COC ZINC000261589373 135229873 /nfs/dbraw/zinc/22/98/73/135229873.db2.gz TWLMUAYDIQWIGM-BBBLOLIVSA-N 1 0 214.309 0.607 10 0 BCAERO C[C@H](C[C@@H]1CCCO1)NC(=O)[C@H](C)C[NH3+] ZINC000261591423 135231921 /nfs/dbraw/zinc/23/19/21/135231921.db2.gz VHMATWXRQPWKLS-BBBLOLIVSA-N 1 0 214.309 0.655 10 0 BCAERO Cc1cc(N2CC[C@@H]3[NH2+]CC[C@@H]3C2)ncn1 ZINC000261591978 135233042 /nfs/dbraw/zinc/23/30/42/135233042.db2.gz VPRIEWJEJYXFAQ-MNOVXSKESA-N 1 0 218.304 0.973 10 0 BCAERO Cc1nccnc1N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261594784 135234885 /nfs/dbraw/zinc/23/48/85/135234885.db2.gz XRQDCSMHHWFSPL-AXFHLTTASA-N 1 0 218.304 0.959 10 0 BCAERO [NH3+][C@@H]1CCCN(C(=O)[C@H]2C[C@H]2C2CC2)C1 ZINC000261596805 135235943 /nfs/dbraw/zinc/23/59/43/135235943.db2.gz YWUHRDYZPPCDFF-VWYCJHECSA-N 1 0 208.305 0.982 10 0 BCAERO [NH3+][C@@H]1CC[C@H]2CN(Cc3ccon3)C[C@H]12 ZINC000261598094 135236841 /nfs/dbraw/zinc/23/68/41/135236841.db2.gz ZKRLMILRFPJGBV-INTQDDNPSA-N 1 0 207.277 0.844 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N1C[C@@H]2[C@H](C1)C2(C)C ZINC000261599055 135238001 /nfs/dbraw/zinc/23/80/01/135238001.db2.gz ZTEIUAVXMUPPHP-HRDYMLBCSA-N 1 0 212.293 0.075 10 0 BCAERO Cn1c(CN2CC[C@@](C)(C[NH3+])C2)nnc1C1CC1 ZINC000261605072 135238061 /nfs/dbraw/zinc/23/80/61/135238061.db2.gz BAQFGIWOBUSBHO-ZDUSSCGKSA-N 1 0 249.362 0.863 10 0 BCAERO CN(Cc1cc[nH]n1)[C@@H]1CCC[NH2+]CC1 ZINC000261546846 135239705 /nfs/dbraw/zinc/23/97/05/135239705.db2.gz LIXKOWHSAQNJMX-LLVKDONJSA-N 1 0 208.309 0.984 10 0 BCAERO CCc1nc(CN2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)no1 ZINC000261547405 135240169 /nfs/dbraw/zinc/24/01/69/135240169.db2.gz HYCOWMODLSXIJA-LPEHRKFASA-N 1 0 236.319 0.801 10 0 BCAERO C[C@@H]1CCN(C(=O)Cc2ccon2)[C@@H](C[NH3+])C1 ZINC000261635714 135241606 /nfs/dbraw/zinc/24/16/06/135241606.db2.gz AKFYULQIKZEFPO-MWLCHTKSSA-N 1 0 237.303 0.803 10 0 BCAERO O=C([C@H]1CCC[NH2+]1)N1CCC[C@H](n2cncn2)C1 ZINC000261626723 135241857 /nfs/dbraw/zinc/24/18/57/135241857.db2.gz DWDLTOSDCCYDFK-WDEREUQCSA-N 1 0 249.318 0.194 10 0 BCAERO C[C@H]1CCN(C(=O)Cc2ccon2)[C@H](C[NH3+])C1 ZINC000261635717 135241983 /nfs/dbraw/zinc/24/19/83/135241983.db2.gz AKFYULQIKZEFPO-ONGXEEELSA-N 1 0 237.303 0.803 10 0 BCAERO C[C@@]1(C[NH3+])CCN([C@@H]2CCN(C3CC3)C2=O)C1 ZINC000261656334 135243394 /nfs/dbraw/zinc/24/33/94/135243394.db2.gz HTVNFDHBRONIJU-YPMHNXCESA-N 1 0 237.347 0.420 10 0 BCAERO C[C@]1(C[NH3+])CCN([C@@H]2CCN(C3CC3)C2=O)C1 ZINC000261656328 135243602 /nfs/dbraw/zinc/24/36/02/135243602.db2.gz HTVNFDHBRONIJU-DGCLKSJQSA-N 1 0 237.347 0.420 10 0 BCAERO C[NH2+][C@@H](C)CNC(=O)[C@H]1CCc2c[nH]nc2C1 ZINC000261656364 135243628 /nfs/dbraw/zinc/24/36/28/135243628.db2.gz FMTNEJVJYXGTIT-IUCAKERBSA-N 1 0 236.319 0.239 10 0 BCAERO [NH3+]C[C@H]1CCC[C@@H]1NS(=O)(=O)c1ccco1 ZINC000261620475 135244051 /nfs/dbraw/zinc/24/40/51/135244051.db2.gz BXROSHSIVKHKAJ-BDAKNGLRSA-N 1 0 244.316 0.685 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@@H]1NS(=O)(=O)c1ccco1 ZINC000261620484 135244234 /nfs/dbraw/zinc/24/42/34/135244234.db2.gz BXROSHSIVKHKAJ-IUCAKERBSA-N 1 0 244.316 0.685 10 0 BCAERO Cc1noc(-c2ncn([C@H]3CCC[NH2+]C3)n2)n1 ZINC000261673220 135244991 /nfs/dbraw/zinc/24/49/91/135244991.db2.gz GZMQTDJFWQGROD-QMMMGPOBSA-N 1 0 234.263 0.561 10 0 BCAERO [NH3+][C@@H](C(=O)NC1CCCC1)C1CCOCC1 ZINC000261689743 135246092 /nfs/dbraw/zinc/24/60/92/135246092.db2.gz HKMKQNBKPMEVQM-LLVKDONJSA-N 1 0 226.320 0.799 10 0 BCAERO C[C@@H]([NH3+])CC(=O)N1CCC[C@@H](n2cccn2)C1 ZINC000261697469 135246678 /nfs/dbraw/zinc/24/66/78/135246678.db2.gz CJRLXMWFQYHHNS-GHMZBOCLSA-N 1 0 236.319 0.784 10 0 BCAERO O=C(NCCc1ccccc1)C1C[NH2+]C1 ZINC000084408246 135247036 /nfs/dbraw/zinc/24/70/36/135247036.db2.gz XIQDYCWEAUDDCC-UHFFFAOYSA-N 1 0 204.273 0.565 10 0 BCAERO CCN(CC(F)(F)F)C(=O)C1C[NH2+]C1 ZINC000084411332 135247218 /nfs/dbraw/zinc/24/72/18/135247218.db2.gz JFAAQWLTALVMQT-UHFFFAOYSA-N 1 0 210.199 0.617 10 0 BCAERO Cc1ncc(CNC(=O)C2C[NH2+]C2)s1 ZINC000084411072 135247220 /nfs/dbraw/zinc/24/72/20/135247220.db2.gz MTZUFZIVOHVDPK-UHFFFAOYSA-N 1 0 211.290 0.287 10 0 BCAERO C[C@@H]1CN(C(=O)C2C[NH2+]C2)C[C@H](C)S1 ZINC000084412434 135247839 /nfs/dbraw/zinc/24/78/39/135247839.db2.gz IFAXCWJCYJKTKM-OCAPTIKFSA-N 1 0 214.334 0.558 10 0 BCAERO O=C(NCCc1cccs1)C1C[NH2+]C1 ZINC000084408332 135247916 /nfs/dbraw/zinc/24/79/16/135247916.db2.gz AWMZRAOWDWYKMM-UHFFFAOYSA-N 1 0 210.302 0.626 10 0 BCAERO C[C@H]1CN(C(=O)C2C[NH2+]C2)C[C@H](C)S1 ZINC000084412437 135248433 /nfs/dbraw/zinc/24/84/33/135248433.db2.gz IFAXCWJCYJKTKM-YUMQZZPRSA-N 1 0 214.334 0.558 10 0 BCAERO Cc1ccc([C@@H](O)CNC(=O)C[C@@H](C)[NH3+])cc1 ZINC000261734037 135248521 /nfs/dbraw/zinc/24/85/21/135248521.db2.gz GABRGTFTMOFNKT-PWSUYJOCSA-N 1 0 236.315 0.882 10 0 BCAERO [NH3+][C@@H](C(=O)NCc1ccco1)C1CCOCC1 ZINC000261776951 135251480 /nfs/dbraw/zinc/25/14/80/135251480.db2.gz FYNSKFCOFILFQV-LLVKDONJSA-N 1 0 238.287 0.650 10 0 BCAERO Cn1ccs/c1=N\C(=O)CC[C@@H]1CC[NH2+]C1 ZINC000261776586 135251926 /nfs/dbraw/zinc/25/19/26/135251926.db2.gz AJQPYQVSKLWASG-JLDYROKLSA-N 1 0 239.344 0.904 10 0 BCAERO CC(C)[C@@H]1OCC[C@H]1CNC(=O)[C@H]1CCC[NH2+]1 ZINC000261787549 135252319 /nfs/dbraw/zinc/25/23/19/135252319.db2.gz UQENIBILOAPYJB-TUAOUCFPSA-N 1 0 240.347 0.916 10 0 BCAERO CCC(=O)N[C@@H]1CCCN(C(=O)C[C@@H](C)[NH3+])C1 ZINC000261803880 135254769 /nfs/dbraw/zinc/25/47/69/135254769.db2.gz MUXFKFSUUYGZOQ-NXEZZACHSA-N 1 0 241.335 0.241 10 0 BCAERO C[C@@H]1OCC[C@H]1NC(=O)[C@H]([NH3+])C1CCOCC1 ZINC000261818344 135255051 /nfs/dbraw/zinc/25/50/51/135255051.db2.gz PGLHBSMQGYUUIQ-JMJZKYOTSA-N 1 0 242.319 0.034 10 0 BCAERO C[C@@H]1C[C@H]1CNC(=O)[C@@H]([NH3+])C1CCOCC1 ZINC000261818363 135255468 /nfs/dbraw/zinc/25/54/68/135255468.db2.gz PGQJHQINKVBEMT-MIMYLULJSA-N 1 0 226.320 0.513 10 0 BCAERO CN(C[C@H]1CCOC1)C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261825958 135256264 /nfs/dbraw/zinc/25/62/64/135256264.db2.gz TUMGKSWGICAXRQ-IJLUTSLNSA-N 1 0 240.347 0.856 10 0 BCAERO C[NH2+][C@@H](C)CNC(=O)CCOC1CCOCC1 ZINC000261853213 135257577 /nfs/dbraw/zinc/25/75/77/135257577.db2.gz XPBYUIUGOPCEKO-JTQLQIEISA-N 1 0 244.335 0.296 10 0 BCAERO CS[C@@H](C)CNC(=O)[C@@H]([NH3+])C1CCOCC1 ZINC000261907864 135261465 /nfs/dbraw/zinc/26/14/65/135261465.db2.gz XFAPGANRUOPZEW-WPRPVWTQSA-N 1 0 246.376 0.608 10 0 BCAERO COC(=O)c1coc(CN2C[C@H](C)[C@H]([NH3+])C2)c1 ZINC000261948435 135265206 /nfs/dbraw/zinc/26/52/06/135265206.db2.gz FQEXINPVPPAKEE-GZMMTYOYSA-N 1 0 238.287 0.845 10 0 BCAERO C[C@@H]1CCN(C[C@H]2CCC[NH2+]C2)[C@H](C(N)=O)C1 ZINC000261948635 135265520 /nfs/dbraw/zinc/26/55/20/135265520.db2.gz NPXQPWDPPJFLKZ-WOPDTQHZSA-N 1 0 239.363 0.572 10 0 BCAERO CCn1c(C)nnc1CN1CCCC[C@@H]1C[NH3+] ZINC000261965767 135266755 /nfs/dbraw/zinc/26/67/55/135266755.db2.gz BCAYRTHTRHQBCA-LLVKDONJSA-N 1 0 237.351 0.920 10 0 BCAERO C[C@H](OCc1ccccc1)C(=O)NCC1C[NH2+]C1 ZINC000262003148 135271239 /nfs/dbraw/zinc/27/12/39/135271239.db2.gz HPDYGJGDTUAYCY-NSHDSACASA-N 1 0 248.326 0.927 10 0 BCAERO C[C@H]1c2nncn2CCN1C[C@H]1CCC[NH2+]C1 ZINC000262003759 135271303 /nfs/dbraw/zinc/27/13/03/135271303.db2.gz UJLYZWSLPYZXGB-QWRGUYRKSA-N 1 0 235.335 0.654 10 0 BCAERO C[C@H]1C[NH2+]CCN1c1cnn(C)c(=O)c1Cl ZINC000262012130 135272098 /nfs/dbraw/zinc/27/20/98/135272098.db2.gz QVDGZGGMEDBCCK-ZETCQYMHSA-N 1 0 242.710 0.232 10 0 BCAERO C[C@H]1CN(S(=O)(=O)CC2CCCC2)C[C@H]1[NH3+] ZINC000262018347 135273201 /nfs/dbraw/zinc/27/32/01/135273201.db2.gz IHZCUBJLANSELH-GXSJLCMTSA-N 1 0 246.376 0.785 10 0 BCAERO C[C@H]1CN(Cc2cn(C(C)(C)C)nn2)C[C@H]1[NH3+] ZINC000262103217 135278395 /nfs/dbraw/zinc/27/83/95/135278395.db2.gz VSTGRRUWEFUWNK-GXSJLCMTSA-N 1 0 237.351 0.812 10 0 BCAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000262092786 135278528 /nfs/dbraw/zinc/27/85/28/135278528.db2.gz DEVWMACWKQBHNB-HHHUOAJASA-N 1 0 238.331 0.119 10 0 BCAERO C[C@@H]1CN(Cc2ccnc(N(C)C)n2)[C@H](C)C[NH2+]1 ZINC000262122172 135280619 /nfs/dbraw/zinc/28/06/19/135280619.db2.gz XIZJUBXSVJWXTO-GHMZBOCLSA-N 1 0 249.362 0.725 10 0 BCAERO Cc1ccccc1CC(=O)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262144470 135281071 /nfs/dbraw/zinc/28/10/71/135281071.db2.gz HJSLSKMEYZTDIB-OLZOCXBDSA-N 1 0 248.326 0.234 10 0 BCAERO CCc1ncc(CNC[C@@H]2C[NH2+]C[C@@H]2O)s1 ZINC000262150116 135282021 /nfs/dbraw/zinc/28/20/21/135282021.db2.gz RCEGXEFEDJKGNN-SCZZXKLOSA-N 1 0 241.360 0.375 10 0 BCAERO COC[C@H]([NH3+])C(=O)N1CC[C@@H](CC(C)C)C1 ZINC000262162968 135282716 /nfs/dbraw/zinc/28/27/16/135282716.db2.gz ACUZWCPACQDKRQ-QWRGUYRKSA-N 1 0 228.336 0.855 10 0 BCAERO O[C@@H]1C[NH2+]C[C@H]1CNCc1ccccc1F ZINC000262165105 135283004 /nfs/dbraw/zinc/28/30/04/135283004.db2.gz UFYOBXYODPNSKO-ZYHUDNBSSA-N 1 0 224.279 0.496 10 0 BCAERO O=C(NCCC(F)(F)F)[C@H]1C[C@H](F)C[NH2+]1 ZINC000262174726 135284123 /nfs/dbraw/zinc/28/41/23/135284123.db2.gz VTPVXWWVJQCTIX-NTSWFWBYSA-N 1 0 228.189 0.755 10 0 BCAERO CCc1nc(CNC[C@@H]2C[NH2+]C[C@@H]2O)cs1 ZINC000262188952 135284347 /nfs/dbraw/zinc/28/43/47/135284347.db2.gz YEVIBOPIGLRTDW-SCZZXKLOSA-N 1 0 241.360 0.375 10 0 BCAERO C[C@@H]1C[C@H]1CNC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000262191863 135284409 /nfs/dbraw/zinc/28/44/09/135284409.db2.gz YUBSBUSQOPXOPK-RYPBNFRJSA-N 1 0 200.257 0.459 10 0 BCAERO COC[C@H]([NH3+])C(=O)N[C@@H](C)c1csc(C)n1 ZINC000262192650 135285691 /nfs/dbraw/zinc/28/56/91/135285691.db2.gz CLGYRRRRWMXHRE-XPUUQOCRSA-N 1 0 243.332 0.602 10 0 BCAERO CCC(C)(C)CC(=O)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262282664 135289612 /nfs/dbraw/zinc/28/96/12/135289612.db2.gz OBCIQFOCOFVOTJ-ZJUUUORDSA-N 1 0 228.336 0.509 10 0 BCAERO CC1(C(=O)NC[C@H]2C[NH2+]C[C@H]2O)CCCC1 ZINC000262287679 135290536 /nfs/dbraw/zinc/29/05/36/135290536.db2.gz OKBDXFCKYZIFFS-NXEZZACHSA-N 1 0 226.320 0.263 10 0 BCAERO COC[C@@H]([NH3+])C(=O)NCC1(C2CC2)CCC1 ZINC000262329339 135293157 /nfs/dbraw/zinc/29/31/57/135293157.db2.gz RLQZVWRRAHHBPZ-SNVBAGLBSA-N 1 0 226.320 0.657 10 0 BCAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)NCc1nccc(N)n1 ZINC000262333152 135293942 /nfs/dbraw/zinc/29/39/42/135293942.db2.gz WEICCXCRRLZPND-GMSGAONNSA-N 1 0 237.307 0.048 10 0 BCAERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)c1ccc(F)cc1 ZINC000262334670 135293945 /nfs/dbraw/zinc/29/39/45/135293945.db2.gz SNQLGELWPVRTTE-GXSJLCMTSA-N 1 0 238.262 0.136 10 0 BCAERO CC[C@](C)(NC(=O)[C@@H](C)C1C[NH2+]C1)C(=O)OC ZINC000262349304 135294533 /nfs/dbraw/zinc/29/45/33/135294533.db2.gz GGPTZSURGGZWNC-UFBFGSQYSA-N 1 0 242.319 0.300 10 0 BCAERO C[NH2+]CCC(=O)NC[C@H]1CCO[C@H]1C(C)C ZINC000262354159 135294706 /nfs/dbraw/zinc/29/47/06/135294706.db2.gz JLPHWZUWLRKKTR-PWSUYJOCSA-N 1 0 228.336 0.773 10 0 BCAERO Cc1cscc1C(=O)NC[C@H]1C[NH2+]C[C@H]1O ZINC000262348146 135294810 /nfs/dbraw/zinc/29/48/10/135294810.db2.gz UGNIRHTUOWASLU-PSASIEDQSA-N 1 0 240.328 0.367 10 0 BCAERO COC[C@H]([NH3+])C(=O)Nc1cnn(CC(F)F)c1 ZINC000262376556 135297791 /nfs/dbraw/zinc/29/77/91/135297791.db2.gz XHTONLBTNUCWBO-ZETCQYMHSA-N 1 0 248.233 0.060 10 0 BCAERO COC[C@H]([NH3+])C(=O)NC[C@@]1(C)CCCC[C@@H]1O ZINC000262392498 135298734 /nfs/dbraw/zinc/29/87/34/135298734.db2.gz YYNZAKVOENCICM-JBLDHEPKSA-N 1 0 244.335 0.018 10 0 BCAERO CCOC(=O)C(C)(C)NC(=O)[C@@H](C)C1C[NH2+]C1 ZINC000262517839 135304199 /nfs/dbraw/zinc/30/41/99/135304199.db2.gz KJOLVOKGBJEECB-QMMMGPOBSA-N 1 0 242.319 0.300 10 0 BCAERO C[C@H](C(=O)N1[C@@H](C)COC[C@@H]1C)C1C[NH2+]C1 ZINC000262554749 135305358 /nfs/dbraw/zinc/30/53/58/135305358.db2.gz PHYUQXHWSHRCIK-GUBZILKMSA-N 1 0 226.320 0.478 10 0 BCAERO COC[C@H]([NH3+])C(=O)N(C)C(C1CC1)C1CC1 ZINC000262586516 135307124 /nfs/dbraw/zinc/30/71/24/135307124.db2.gz VLMFSOAXBNJXLK-JTQLQIEISA-N 1 0 226.320 0.607 10 0 BCAERO CCOC(=O)[C@H](C)N(C)CC1CC(O)C1 ZINC000084452219 135307626 /nfs/dbraw/zinc/30/76/26/135307626.db2.gz YRRIDSDFNZFITA-IDKOKCKLSA-N 1 0 215.293 0.641 10 0 BCAERO COC(=O)[C@@H](C)C[N@H+](C)CC1CC(O)C1 ZINC000084452329 135307665 /nfs/dbraw/zinc/30/76/65/135307665.db2.gz WEWGGSULDKBHJB-IDKOKCKLSA-N 1 0 215.293 0.498 10 0 BCAERO CC[C@H](C)[C@@H]([NH3+])C(=O)N(C)c1cnn(C)c1 ZINC000262627505 135309272 /nfs/dbraw/zinc/30/92/72/135309272.db2.gz CGUDMWJZLJENMQ-WCBMZHEXSA-N 1 0 224.308 0.756 10 0 BCAERO Cc1nc(C[C@@H]2CCCN(CC[NH3+])C2)no1 ZINC000262735205 135315293 /nfs/dbraw/zinc/31/52/93/135315293.db2.gz CBXPSXKAPSIHDW-JTQLQIEISA-N 1 0 224.308 0.591 10 0 BCAERO Cc1ncccc1CNC[C@H]1C[NH2+]C[C@H]1O ZINC000263122463 135334258 /nfs/dbraw/zinc/33/42/58/135334258.db2.gz BAXVIHSFZMBHDC-NWDGAFQWSA-N 1 0 221.304 0.060 10 0 BCAERO COc1cccc(CNC[C@@H]2C[NH2+]C[C@H]2O)c1 ZINC000263224161 135340978 /nfs/dbraw/zinc/34/09/78/135340978.db2.gz MNVLKWBBGGSPTO-DGCLKSJQSA-N 1 0 236.315 0.365 10 0 BCAERO O=C(NCc1ccc(CO)c(F)c1)C1C[NH2+]C1 ZINC000263250238 135342479 /nfs/dbraw/zinc/34/24/79/135342479.db2.gz DTVNBDVQZCKMME-UHFFFAOYSA-N 1 0 238.262 0.154 10 0 BCAERO Cc1ocnc1-c1nc([C@H]2C[NH2+]CCN2C)no1 ZINC000263259606 135342811 /nfs/dbraw/zinc/34/28/11/135342811.db2.gz QTGNGLTTYDUQGS-MRVPVSSYSA-N 1 0 249.274 0.609 10 0 BCAERO O[C@@H]1C[NH2+]C[C@@H]1CNCc1ccc2c[nH]nc2c1 ZINC000263270642 135343431 /nfs/dbraw/zinc/34/34/31/135343431.db2.gz SCNCVMOTAPMGJJ-WCQYABFASA-N 1 0 246.314 0.233 10 0 BCAERO CN1CC[NH2+]C[C@@H]1c1noc(C2CCC2)n1 ZINC000263271417 135343677 /nfs/dbraw/zinc/34/36/77/135343677.db2.gz SEWDJBVSKPDUEA-SECBINFHSA-N 1 0 222.292 0.913 10 0 BCAERO CO[C@@H](C)c1nc([C@@H]2C[NH2+]CCN2C)no1 ZINC000263281693 135344192 /nfs/dbraw/zinc/34/41/92/135344192.db2.gz UIWAVAMXIIZDMP-YUMQZZPRSA-N 1 0 226.280 0.353 10 0 BCAERO CC(C)[C@H]1OCCC[C@H]1CNC(=O)C1C[NH2+]C1 ZINC000263295770 135345006 /nfs/dbraw/zinc/34/50/06/135345006.db2.gz MHUCWBJNDMQWSN-CMPLNLGQSA-N 1 0 240.347 0.773 10 0 BCAERO CC[C@H]1CCCC[N@@H+]1CCNC(=O)C1C[NH2+]C1 ZINC000263331711 135347136 /nfs/dbraw/zinc/34/71/36/135347136.db2.gz VCGGZYHMPFKREF-LBPRGKRZSA-N 1 0 239.363 0.587 10 0 BCAERO C[C@H](O)c1ccc(CNC(=O)C2C[NH2+]C2)cc1 ZINC000263327611 135347274 /nfs/dbraw/zinc/34/72/74/135347274.db2.gz TWEQNRKGROCICM-VIFPVBQESA-N 1 0 234.299 0.576 10 0 BCAERO O=C(NCc1ccn(C2CCCC2)n1)C1C[NH2+]C1 ZINC000263336526 135347293 /nfs/dbraw/zinc/34/72/93/135347293.db2.gz WLABPSCVZJELJY-UHFFFAOYSA-N 1 0 248.330 0.834 10 0 BCAERO C[C@@H](CNC(=O)C1C[NH2+]C1)Oc1ccccc1 ZINC000263343637 135348344 /nfs/dbraw/zinc/34/83/44/135348344.db2.gz YILPKBYNLUWVSS-JTQLQIEISA-N 1 0 234.299 0.790 10 0 BCAERO CC(C)[C@@H]1OCC[C@H]1CNC(=O)C1C[NH2+]C1 ZINC000263348273 135348350 /nfs/dbraw/zinc/34/83/50/135348350.db2.gz ZUXZBKICCFDUMD-ONGXEEELSA-N 1 0 226.320 0.383 10 0 BCAERO CNS(=O)(=O)C1CC[NH+](C2CCC2)CC1 ZINC000334342818 135364508 /nfs/dbraw/zinc/36/45/08/135364508.db2.gz LFBOXJYWLPIYSI-UHFFFAOYSA-N 1 0 232.349 0.553 10 0 BCAERO COCCOCC[N@@H+]1CC[C@H](CCO)C1 ZINC000079463940 135396374 /nfs/dbraw/zinc/39/63/74/135396374.db2.gz FDPIQRCPTFPVPL-LLVKDONJSA-N 1 0 217.309 0.354 10 0 BCAERO C[C@H](C(=O)NC[C@@H]1CCCC[C@@H]1O)C1C[NH2+]C1 ZINC000164597049 135411888 /nfs/dbraw/zinc/41/18/88/135411888.db2.gz QXAXTZGHPQRHSY-NHCYSSNCSA-N 1 0 240.347 0.509 10 0 BCAERO CCOC(=O)[C@H](C)N(C)CCC[NH+](C)C ZINC000082542313 135439437 /nfs/dbraw/zinc/43/94/37/135439437.db2.gz MRXIOSOWXSOGEL-JTQLQIEISA-N 1 0 216.325 0.822 10 0 BCAERO Cc1cc(C(=O)N[C@@H]2CCC[C@H]2C[NH3+])[nH]n1 ZINC000084212577 135466056 /nfs/dbraw/zinc/46/60/56/135466056.db2.gz ZQNBIKCOBZLBHC-DTWKUNHWSA-N 1 0 222.292 0.575 10 0 BCAERO Cc1cc(C(=O)N[C@@H]2CCC[C@@H]2C[NH3+])[nH]n1 ZINC000084212575 135466264 /nfs/dbraw/zinc/46/62/64/135466264.db2.gz ZQNBIKCOBZLBHC-RKDXNWHRSA-N 1 0 222.292 0.575 10 0 BCAERO Cc1cc(C(=O)N[C@H]2CCC[C@@H]2C[NH3+])[nH]n1 ZINC000084212576 135466489 /nfs/dbraw/zinc/46/64/89/135466489.db2.gz ZQNBIKCOBZLBHC-BDAKNGLRSA-N 1 0 222.292 0.575 10 0 BCAERO Cn1nccc1CNC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000085013106 135478302 /nfs/dbraw/zinc/47/83/02/135478302.db2.gz GJGZVAMDGGYLGW-IUCAKERBSA-N 1 0 222.292 0.164 10 0 BCAERO Cc1nccc(CNC(=O)[C@@H]2CCC[C@H]2[NH3+])n1 ZINC000085369660 135482654 /nfs/dbraw/zinc/48/26/54/135482654.db2.gz HYBCLYVVLQVJKB-GHMZBOCLSA-N 1 0 234.303 0.529 10 0 BCAERO CN(Cc1cnn(C)c1)C(=O)[C@H]1CCC[C@@H]1[NH3+] ZINC000085367016 135482937 /nfs/dbraw/zinc/48/29/37/135482937.db2.gz BISWVSNSQDYSKN-QWRGUYRKSA-N 1 0 236.319 0.506 10 0 BCAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)c1ccnn1C ZINC000085727310 135488223 /nfs/dbraw/zinc/48/82/23/135488223.db2.gz QTBHGFZROPOQMM-DTWKUNHWSA-N 1 0 222.292 0.290 10 0 BCAERO C[C@H](C[NH3+])CNc1nnnn1-c1ccccc1 ZINC000086634424 135494151 /nfs/dbraw/zinc/49/41/51/135494151.db2.gz PHHCVWHKPRMHBF-SECBINFHSA-N 1 0 232.291 0.669 10 0 BCAERO CCOc1cc(NC[C@H]2CC[NH2+]C2)ncn1 ZINC000087655298 135510672 /nfs/dbraw/zinc/51/06/72/135510672.db2.gz YAEUWQMCUGXZBG-VIFPVBQESA-N 1 0 222.292 0.897 10 0 BCAERO O=C(NC[C@@H]1CCCS1)[C@H]1CC[NH2+]C1 ZINC000087668340 135510675 /nfs/dbraw/zinc/51/06/75/135510675.db2.gz IJLHHXDUSNCODR-IUCAKERBSA-N 1 0 214.334 0.608 10 0 BCAERO NC(=O)c1ccc(N[C@H]2CCC[C@@H]2C[NH3+])nc1 ZINC000089105782 135529532 /nfs/dbraw/zinc/52/95/32/135529532.db2.gz XRTVULNVXOFMJC-SCZZXKLOSA-N 1 0 234.303 0.720 10 0 BCAERO C[C@H]([NH3+])[C@H](C)C(=O)NCC[S@@](=O)C(C)(C)C ZINC000192052500 135557581 /nfs/dbraw/zinc/55/75/81/135557581.db2.gz FHDGSFQLTXJIHU-OMQMVUIESA-N 1 0 248.392 0.633 10 0 BCAERO Cc1c[nH]nc1CN[C@@H]1CCC[NH2+][C@@H]1C ZINC000334833871 135817450 /nfs/dbraw/zinc/81/74/50/135817450.db2.gz ULTSWGWRHZPWNB-NXEZZACHSA-N 1 0 208.309 0.948 10 0 BCAERO C[C@@H]1CC[C@H](NC(=O)N(C)C2C[NH2+]C2)C1 ZINC000334933554 135844780 /nfs/dbraw/zinc/84/47/80/135844780.db2.gz YFBXBZSSTDPKFC-BDAKNGLRSA-N 1 0 211.309 0.788 10 0 BCAERO CCNC(=O)CN1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000113518324 135992657 /nfs/dbraw/zinc/99/26/57/135992657.db2.gz RPEXWWUGNTZYOT-QWRGUYRKSA-N 1 0 225.336 0.291 10 0 BCAERO C[C@H](C(F)(F)F)S(=O)(=O)N1CC[C@H]([NH3+])C1 ZINC000335373724 136084915 /nfs/dbraw/zinc/08/49/15/136084915.db2.gz VMRFWUXNYWKPDI-RITPCOANSA-N 1 0 246.254 0.300 10 0 BCAERO O=C(N[C@@H]1CC[NH2+]C1)c1cc(Cl)ccn1 ZINC000335399899 136093907 /nfs/dbraw/zinc/09/39/07/136093907.db2.gz PTAUIJLMPXIFMT-MRVPVSSYSA-N 1 0 225.679 0.827 10 0 BCAERO CC(C)CCS(=O)(=O)N1CCC[C@H]1C[NH3+] ZINC000070650680 166886267 /nfs/dbraw/zinc/88/62/67/166886267.db2.gz LZYBTTHELUWJAE-JTQLQIEISA-N 1 0 234.365 0.785 10 0 BCAERO O[C@H](c1ccns1)[C@@H]1CSCC[NH2+]1 ZINC000575451076 397938524 /nfs/dbraw/zinc/93/85/24/397938524.db2.gz QVIRGUOCHQBPKD-XPUUQOCRSA-N 1 0 216.331 0.882 10 0 BCAERO O=S1(=O)CCC[C@]2(CC1)[NH2+]CCS2 ZINC000575462001 397943207 /nfs/dbraw/zinc/94/32/07/397943207.db2.gz FOKJVISEOWPYHG-QMMMGPOBSA-N 1 0 221.347 0.618 10 0 BCAERO [NH3+]CC1(N2CCC[C@H](F)C2)CSC1 ZINC000575460617 397944366 /nfs/dbraw/zinc/94/43/66/397944366.db2.gz IICODYYDEAVUHA-QMMMGPOBSA-N 1 0 204.314 0.865 10 0 BCAERO [NH3+][C@@H]1CCO[C@H]1[C@@H](O)c1cnsc1 ZINC000575464584 397950201 /nfs/dbraw/zinc/95/02/01/397950201.db2.gz QOUWOYHCZKPRPQ-GJMOJQLCSA-N 1 0 200.263 0.293 10 0 BCAERO C[C@@H]1OCC[C@]1(C[NH3+])N1CCSCC1 ZINC000134405460 397951494 /nfs/dbraw/zinc/95/14/94/397951494.db2.gz BPPICVYOSSFUFD-VHSXEESVSA-N 1 0 216.350 0.542 10 0 BCAERO [NH3+][C@@H](CC(F)F)C(=O)NCC[C@H]1CCCO1 ZINC000390489876 397891387 /nfs/dbraw/zinc/89/13/87/397891387.db2.gz PDUUUIUTNFDTFP-SFYZADRCSA-N 1 0 236.262 0.654 10 0 BCAERO CC(C)(C)[N@@H+]1CCO[C@H](S(N)(=O)=O)CC1 ZINC000616684050 397925755 /nfs/dbraw/zinc/92/57/55/397925755.db2.gz AVJNHKVCBPRVBY-MRVPVSSYSA-N 1 0 236.337 0.122 10 0 BCAERO O=S(=O)(CC1CCC1)NC[C@H]1CC[NH2+]C1 ZINC000379706954 397925791 /nfs/dbraw/zinc/92/57/91/397925791.db2.gz SMWTZXAZPZKFQE-JTQLQIEISA-N 1 0 232.349 0.315 10 0 BCAERO F[C@H]1COCC[C@H]1NC1CC[NH2+]CC1 ZINC000146016898 398014399 /nfs/dbraw/zinc/01/43/99/398014399.db2.gz CQVABQWSZBOBLN-VHSXEESVSA-N 1 0 202.273 0.455 10 0 BCAERO CCOC(=O)[C@@]1(N)CC[N@H+](C)[C@H](C)C1 ZINC000156498670 398020441 /nfs/dbraw/zinc/02/04/41/398020441.db2.gz KXLOAVAULLJHJJ-PSASIEDQSA-N 1 0 200.282 0.361 10 0 BCAERO C[C@@H]1CN(C(=O)C2CC(F)(F)C2)C[C@H]1[NH3+] ZINC000383447290 398021328 /nfs/dbraw/zinc/02/13/28/398021328.db2.gz LMTGYPVJHLRZNO-HTRCEHHLSA-N 1 0 218.247 0.837 10 0 BCAERO C[NH2+][C@H](C)C(=O)N1CCC(OC)CC1 ZINC000054072077 398023134 /nfs/dbraw/zinc/02/31/34/398023134.db2.gz XVZVPKNXOWHYHT-MRVPVSSYSA-N 1 0 200.282 0.232 10 0 BCAERO CCN1CCN(C(=O)C2CCC([NH3+])CC2)CC1 ZINC000037623249 398023875 /nfs/dbraw/zinc/02/38/75/398023875.db2.gz FNZBKUXHAHJUPC-UHFFFAOYSA-N 1 0 239.363 0.668 10 0 BCAERO c1n[nH]nc1CNCC[NH2+]Cc1ccccc1 ZINC000307221446 398023938 /nfs/dbraw/zinc/02/39/38/398023938.db2.gz IUJOELBHXCCMDJ-UHFFFAOYSA-N 1 0 231.303 0.684 10 0 BCAERO C[NH2+][C@H](C)C(=O)Nc1ccc(-n2cccn2)nc1 ZINC000054073699 398025006 /nfs/dbraw/zinc/02/50/06/398025006.db2.gz FAOLDPSDUUUNOK-SECBINFHSA-N 1 0 245.286 0.814 10 0 BCAERO CCc1noc(CN2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)n1 ZINC000383693720 398033352 /nfs/dbraw/zinc/03/33/52/398033352.db2.gz QYJKMVKFAZHNQM-LPEHRKFASA-N 1 0 236.319 0.801 10 0 BCAERO CC(C)(C)OC(=O)[C@@H](N)[C@]1(F)CC[NH2+]C1 ZINC000575625761 398035096 /nfs/dbraw/zinc/03/50/96/398035096.db2.gz MGMHOVXFWRALNV-XCBNKYQSSA-N 1 0 218.272 0.357 10 0 BCAERO CN1CCC[C@H]1C[N@@H+]1CCC[C@]1(C)CO ZINC000649586310 397975724 /nfs/dbraw/zinc/97/57/24/397975724.db2.gz ZIHMLHDUKGIKBZ-NWDGAFQWSA-N 1 0 212.337 0.927 10 0 BCAERO [NH3+][C@@H]1CCC[C@@H]1CNC(=O)C(F)(F)F ZINC000307118537 397980754 /nfs/dbraw/zinc/98/07/54/397980754.db2.gz QUFKWYBXXNPBRC-PHDIDXHHSA-N 1 0 210.199 0.792 10 0 BCAERO COc1cc([C@H]2OCC[C@@H]2[NH3+])sn1 ZINC000307122487 397982419 /nfs/dbraw/zinc/98/24/19/397982419.db2.gz LYBDCIGCAUBZNT-XNCJUZBTSA-N 1 0 200.263 0.940 10 0 BCAERO C[C@H]1CCNC(=O)[C@@H]1[NH2+]C1CSC1 ZINC000307134372 397986292 /nfs/dbraw/zinc/98/62/92/397986292.db2.gz OCYKTTYNFZIRSI-POYBYMJQSA-N 1 0 200.307 0.216 10 0 BCAERO C[C@H](O)[C@@H]1CC[N@H+](C[C@H]2CCCN2C)C1 ZINC000386345715 398060078 /nfs/dbraw/zinc/06/00/78/398060078.db2.gz SUZBYHPJASXQAA-QJPTWQEYSA-N 1 0 212.337 0.783 10 0 BCAERO COC(=O)[C@@](C)(O)C[N@@H+]1CCC[C@@H]1CCCO ZINC000083807862 398067359 /nfs/dbraw/zinc/06/73/59/398067359.db2.gz JFPQPJSIAVJKEH-PWSUYJOCSA-N 1 0 245.319 0.147 10 0 BCAERO [NH3+][C@@H](CO)c1nc(-c2cccs2)n[nH]1 ZINC000054700181 398071213 /nfs/dbraw/zinc/07/12/13/398071213.db2.gz GNLWYSCIBONDSJ-YFKPBYRVSA-N 1 0 210.262 0.525 10 0 BCAERO C[C@@H](C(N)=S)[N@H+](C)[C@H]1CCN(C)C1 ZINC000307316953 398077274 /nfs/dbraw/zinc/07/72/74/398077274.db2.gz NZTONSNVKMFLFB-YUMQZZPRSA-N 1 0 201.339 0.297 10 0 BCAERO CCc1cc(=NC(=O)[C@H]2CCC[NH2+][C@@H]2C)[nH][nH]1 ZINC000384345784 398082980 /nfs/dbraw/zinc/08/29/80/398082980.db2.gz CUTHKKAWTUNYSV-SCZZXKLOSA-N 1 0 236.319 0.721 10 0 BCAERO c1nnc2c(NCCC3CC[NH2+]CC3)nccn12 ZINC000650311217 398095366 /nfs/dbraw/zinc/09/53/66/398095366.db2.gz SHDGFVDDARDZIJ-UHFFFAOYSA-N 1 0 246.318 0.926 10 0 BCAERO CN(C)c1nccc(NCCC2CC[NH2+]CC2)n1 ZINC000650311185 398095486 /nfs/dbraw/zinc/09/54/86/398095486.db2.gz QSROVDKSUHBXAM-UHFFFAOYSA-N 1 0 249.362 0.766 10 0 BCAERO CO[C@H](C)CC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000116785464 398090150 /nfs/dbraw/zinc/09/01/50/398090150.db2.gz ZUQCGCYCJNQESU-MNOVXSKESA-N 1 0 244.335 0.200 10 0 BCAERO C[NH+](C)C[C@@H]1CN(C(=O)C2CCC2)CCO1 ZINC000116796495 398090993 /nfs/dbraw/zinc/09/09/93/398090993.db2.gz OBIRHXXTEAUMCA-LLVKDONJSA-N 1 0 226.320 0.576 10 0 BCAERO C[C@@H]1C[C@H](NC(=O)[C@@H]2CC[C@H]([NH3+])C2)[C@@H](C)O1 ZINC000384559424 398096574 /nfs/dbraw/zinc/09/65/74/398096574.db2.gz HNHAJXUXBNZFFY-APLZJWDSSA-N 1 0 226.320 0.796 10 0 BCAERO C[C@@H]1C[C@H](NC(=O)[C@H]2CC[NH2+]C2)[C@H](C)O1 ZINC000384602754 398099615 /nfs/dbraw/zinc/09/96/15/398099615.db2.gz NXXBRRKNAURMDU-KATARQTJSA-N 1 0 212.293 0.278 10 0 BCAERO CO[C@H]1C[NH2+][C@@H](C(=O)NCc2ncccc2C)C1 ZINC000071344811 398101473 /nfs/dbraw/zinc/10/14/73/398101473.db2.gz SEPBYGMGFMQQKN-GHMZBOCLSA-N 1 0 249.314 0.383 10 0 BCAERO CC[N@@H+]1CC[C@@H](NC(=O)c2cnc(NC)cn2)C1 ZINC000389588305 398114768 /nfs/dbraw/zinc/11/47/68/398114768.db2.gz NQTAJPOXRFKGIJ-SECBINFHSA-N 1 0 249.318 0.342 10 0 BCAERO C[N@@H+]1CCSC[C@H]1[C@@H](O)C1=CCCO1 ZINC000234355140 398124379 /nfs/dbraw/zinc/12/43/79/398124379.db2.gz UPVYAGSRSPEBTN-WCBMZHEXSA-N 1 0 215.318 0.699 10 0 BCAERO CC(C)C[NH2+]C[C@@H](C)N1CCOCC1 ZINC000047848601 167005069 /nfs/dbraw/zinc/00/50/69/167005069.db2.gz VJARXUCUNUUXGV-LLVKDONJSA-N 1 0 200.326 0.953 10 0 BCAERO CC(C)NC(=O)CCN1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000054048580 167038618 /nfs/dbraw/zinc/03/86/18/167038618.db2.gz GRHVQXFFGBUMLR-VXGBXAGGSA-N 1 0 241.379 0.960 10 0 BCAERO CC(C)NC(=O)CCN1CCC[C@H](C)[C@H]1C[NH3+] ZINC000054048581 167038814 /nfs/dbraw/zinc/03/88/14/167038814.db2.gz GRHVQXFFGBUMLR-NWDGAFQWSA-N 1 0 241.379 0.960 10 0 BCAERO CC(C)NC(=O)CCNC(=O)[C@H]1CCC[NH2+]C1 ZINC000135190440 167043125 /nfs/dbraw/zinc/04/31/25/167043125.db2.gz COULAKIPSPEJGW-JTQLQIEISA-N 1 0 241.335 0.017 10 0 BCAERO CC(C)NC(=O)CN(C)C(=O)[C@](C)([NH3+])C1CC1 ZINC000037801354 167045362 /nfs/dbraw/zinc/04/53/62/167045362.db2.gz DQOJAQHYALLDJU-GFCCVEGCSA-N 1 0 241.335 0.097 10 0 BCAERO CC(C)NC(=O)CN(C)c1ncccc1C[NH3+] ZINC000042600179 167051144 /nfs/dbraw/zinc/05/11/44/167051144.db2.gz WRJPUADUXSRLRX-UHFFFAOYSA-N 1 0 236.319 0.501 10 0 BCAERO CC(C)NC(=O)[C@@H](C)O[C@H]1CCC[NH2+]C1 ZINC000020422775 167082126 /nfs/dbraw/zinc/08/21/26/167082126.db2.gz BVAURDHIWFOHCD-ZJUUUORDSA-N 1 0 214.309 0.668 10 0 BCAERO CC(C)[NH2+]CCN(C)Cc1nccn1C ZINC000062251567 167104171 /nfs/dbraw/zinc/10/41/71/167104171.db2.gz ZOHAHDQRNZWWLO-UHFFFAOYSA-N 1 0 210.325 0.850 10 0 BCAERO [NH3+]CCC1CCN(c2ccc3nnnn3n2)CC1 ZINC000094726486 487557168 /nfs/dbraw/zinc/55/71/68/487557168.db2.gz LWDGHVDCZJKCGD-UHFFFAOYSA-N 1 0 247.306 0.085 10 0 BCAERO COC[C@H](C)NC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000227868542 487562024 /nfs/dbraw/zinc/56/20/24/487562024.db2.gz VLPXYJDGADVPNM-XHNCKOQMSA-N 1 0 200.282 0.265 10 0 BCAERO CCCCOC[C@H](O)C[NH2+][C@@H]1CCOC1 ZINC000227894621 487562624 /nfs/dbraw/zinc/56/26/24/487562624.db2.gz AYTLCCHRBOYCFO-GHMZBOCLSA-N 1 0 217.309 0.543 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)N[C@@H](C[NH3+])C2CC2)O1 ZINC000088142170 322887309 /nfs/dbraw/zinc/88/73/09/322887309.db2.gz GYTWEPWQAWCAQG-FKTZTGRPSA-N 1 0 212.293 0.407 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)NC[C@@H]2CCC[NH2+]C2)O1 ZINC000088140826 322887541 /nfs/dbraw/zinc/88/75/41/322887541.db2.gz GHCOMVHXNBUGCZ-GMTAPVOTSA-N 1 0 226.320 0.670 10 0 BCAERO CC(C)(CNC(=O)C1CCC([NH3+])CC1)C(N)=O ZINC000225386900 487565225 /nfs/dbraw/zinc/56/52/25/487565225.db2.gz CSEWJDPNVIADMD-UHFFFAOYSA-N 1 0 241.335 0.132 10 0 BCAERO CN(C)C(=O)c1ccc(NC2CC[NH2+]CC2)nc1 ZINC000095012803 487566238 /nfs/dbraw/zinc/56/62/38/487566238.db2.gz BKXZYAMNKUHOPP-UHFFFAOYSA-N 1 0 248.330 0.947 10 0 BCAERO CN(C[C@H]1CCCO1)C(=O)CC1([NH3+])CCC1 ZINC000086853458 487566830 /nfs/dbraw/zinc/56/68/30/487566830.db2.gz NOTFMODPALECHM-SNVBAGLBSA-N 1 0 226.320 0.895 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)NCc1cn(CC)nn1 ZINC000404450542 487569250 /nfs/dbraw/zinc/56/92/50/487569250.db2.gz GCPDVEJTWMJMAY-SECBINFHSA-N 1 0 225.296 0.042 10 0 BCAERO CCC[C@H](C)NC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000020433917 487576975 /nfs/dbraw/zinc/57/69/75/487576975.db2.gz HPCGBVMVSMITIZ-DJLDLDEBSA-N 1 0 200.282 0.014 10 0 BCAERO C[C@@H]([NH3+])CNC(=O)c1ccc(N(C)C)cc1 ZINC000082239021 487578422 /nfs/dbraw/zinc/57/84/22/487578422.db2.gz FBHNHDDADCNXOA-SECBINFHSA-N 1 0 221.304 0.830 10 0 BCAERO C[C@@H]1C[C@H](O)C[N@@H+]1C[C@@H]1CCC[C@@H](O)C1 ZINC000308914578 487582175 /nfs/dbraw/zinc/58/21/75/487582175.db2.gz NLHBHSFTVBNWKJ-KKOKHZNYSA-N 1 0 213.321 0.993 10 0 BCAERO CC1(C)C[N@@H+]([C@@H]2CCC[C@H]2O)CC[C@@H]1O ZINC000308913562 487582240 /nfs/dbraw/zinc/58/22/40/487582240.db2.gz XKWIXEOWDDEABH-MXWKQRLJSA-N 1 0 213.321 0.993 10 0 BCAERO CC(C)OCCOC(=O)[C@H](C)N1CC[NH2+]CC1 ZINC000051658579 167245656 /nfs/dbraw/zinc/24/56/56/167245656.db2.gz IIUYSCBRKJAHOJ-NSHDSACASA-N 1 0 244.335 0.248 10 0 BCAERO CC(C)(C)[C@H](O)CNC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000324381243 487587785 /nfs/dbraw/zinc/58/77/85/487587785.db2.gz WLGDVPFERLWJDO-HBNTYKKESA-N 1 0 242.363 0.885 10 0 BCAERO Cc1cc(C[NH2+]CC2CC(O)C2)n(C)n1 ZINC000084449403 322913486 /nfs/dbraw/zinc/91/34/86/322913486.db2.gz AEYIGUFQJWURKH-UHFFFAOYSA-N 1 0 209.293 0.589 10 0 BCAERO O[C@H]1CCC[C@@H](C[N@@H+]2CCC[C@H](O)C2)C1 ZINC000308942698 487596257 /nfs/dbraw/zinc/59/62/57/487596257.db2.gz VICPFRHNHIISBY-WOPDTQHZSA-N 1 0 213.321 0.994 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)NC1(C)CCOCC1 ZINC000229902635 487600927 /nfs/dbraw/zinc/60/09/27/487600927.db2.gz LUUPQGHUBYZICM-SECBINFHSA-N 1 0 214.309 0.799 10 0 BCAERO CC(C)S(=O)(=O)CCN1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000226421311 167317511 /nfs/dbraw/zinc/31/75/11/167317511.db2.gz WZHKDUCUCVXRMM-PHIMTYICSA-N 1 0 248.392 0.492 10 0 BCAERO CC(C)S(=O)(=O)CCN1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000226421327 167317646 /nfs/dbraw/zinc/31/76/46/167317646.db2.gz WZHKDUCUCVXRMM-GHMZBOCLSA-N 1 0 248.392 0.492 10 0 BCAERO CC(C)S(=O)(=O)N1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000051359274 167318993 /nfs/dbraw/zinc/31/89/93/167318993.db2.gz RNJYUDDQKGCJEY-QWRGUYRKSA-N 1 0 246.376 0.941 10 0 BCAERO CC(C)S(=O)(=O)N1CCC[C@H]([NH3+])C1 ZINC000037657596 167320007 /nfs/dbraw/zinc/32/00/07/167320007.db2.gz NHRKQAGAWHZUBQ-QMMMGPOBSA-N 1 0 206.311 0.148 10 0 BCAERO CC(C)S(=O)(=O)NCC1CC[NH2+]CC1 ZINC000037657521 167319675 /nfs/dbraw/zinc/31/96/75/167319675.db2.gz DPODGOBQAHRPCP-UHFFFAOYSA-N 1 0 220.338 0.314 10 0 BCAERO COCCCCNC(=O)[C@H]1CCC[NH2+][C@H]1C ZINC000087122733 487609046 /nfs/dbraw/zinc/60/90/46/487609046.db2.gz RNEGNCZDJSDAJD-QWRGUYRKSA-N 1 0 228.336 0.917 10 0 BCAERO CC[C@@H]([NH2+]C)C(=O)NCC[C@H]1CCCO1 ZINC000662372105 409679996 /nfs/dbraw/zinc/67/99/96/409679996.db2.gz TYBUZKAXCNJIJL-NXEZZACHSA-N 1 0 214.309 0.670 10 0 BCAERO C[C@@H](O)C1CCN(C(=O)[C@H]2C[C@H]([NH3+])C2)CC1 ZINC000662564835 409760798 /nfs/dbraw/zinc/76/07/98/409760798.db2.gz YMCJLPPSJYZLDZ-FBIMIBRVSA-N 1 0 226.320 0.343 10 0 BCAERO C[C@H](CNC(=O)[C@H]1CC[NH2+]C1)c1ccccn1 ZINC000662605618 409779968 /nfs/dbraw/zinc/77/99/68/409779968.db2.gz MJKMZRMXAWJSNB-MNOVXSKESA-N 1 0 233.315 0.911 10 0 BCAERO CC[C@H](C)[C@@H]([NH3+])C(=O)NCC[C@@H](COC)OC ZINC000662618232 409787494 /nfs/dbraw/zinc/78/74/94/409787494.db2.gz WBNQZXITKHTFIE-GARJFASQSA-N 1 0 246.351 0.528 10 0 BCAERO CCc1cc(C)nc(N2CC[NH2+]CC2)n1 ZINC000070952126 409803959 /nfs/dbraw/zinc/80/39/59/409803959.db2.gz DUXYIZBYRCHRDH-UHFFFAOYSA-N 1 0 206.293 0.757 10 0 BCAERO O=C(C[C@@H]1C=CCC1)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000653138810 409860514 /nfs/dbraw/zinc/86/05/14/409860514.db2.gz KLWLLMGMPBKNEZ-OUAUKWLOSA-N 1 0 224.304 0.039 10 0 BCAERO O=C(CC1=CCCCC1)NC[C@H]1C[NH2+]C[C@H]1O ZINC000653138867 409861634 /nfs/dbraw/zinc/86/16/34/409861634.db2.gz MHGUEJPDUJFXAU-VXGBXAGGSA-N 1 0 238.331 0.573 10 0 BCAERO COCC1(NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000648090856 487611387 /nfs/dbraw/zinc/61/13/87/487611387.db2.gz WCIGKTCTYHSAEH-NXEZZACHSA-N 1 0 226.320 0.657 10 0 BCAERO COC[C@@H]([NH3+])C(=O)NC1CC2(CCC2)C1 ZINC000662907360 409977367 /nfs/dbraw/zinc/97/73/67/409977367.db2.gz UAHMWDQSFLNXHX-SECBINFHSA-N 1 0 212.293 0.409 10 0 BCAERO O=C(N[C@@H]1CC=CCC1)[C@@H]1C[NH2+]CCOC1 ZINC000653174483 410149956 /nfs/dbraw/zinc/14/99/56/410149956.db2.gz MIYGUBACIYPYAB-GHMZBOCLSA-N 1 0 224.304 0.447 10 0 BCAERO COC[C@@]1(C(=O)N[C@H]2CC=CCC2)CCC[NH2+]1 ZINC000653174592 410150080 /nfs/dbraw/zinc/15/00/80/410150080.db2.gz ZWMNXVUCMWXKKA-WCQYABFASA-N 1 0 238.331 0.980 10 0 BCAERO COC[C@@]1(C(=O)N[C@@H]2CC=CCC2)CCC[NH2+]1 ZINC000653174591 410150114 /nfs/dbraw/zinc/15/01/14/410150114.db2.gz ZWMNXVUCMWXKKA-DGCLKSJQSA-N 1 0 238.331 0.980 10 0 BCAERO O=C([C@H]1CC[NH2+]C1)N1CCOCC12CCC2 ZINC000653168913 410135460 /nfs/dbraw/zinc/13/54/60/410135460.db2.gz UBLBMEMHLLRBEZ-JTQLQIEISA-N 1 0 224.304 0.377 10 0 BCAERO C[C@@H]1SCC[C@H]1NC(=O)[C@H]1C[NH2+]CCOC1 ZINC000653176074 410153017 /nfs/dbraw/zinc/15/30/17/410153017.db2.gz JQBSGMKPWZCBRL-LPEHRKFASA-N 1 0 244.360 0.233 10 0 BCAERO CC(C)(C)[C@@H](O)C[NH2+]CCOCCF ZINC000663377841 410167597 /nfs/dbraw/zinc/16/75/97/410167597.db2.gz VZOUASXELMEUQU-VIFPVBQESA-N 1 0 207.289 0.969 10 0 BCAERO CO[C@H](C)CCC(=O)N1CC[C@@H]([NH3+])[C@H]1C ZINC000309050476 410207699 /nfs/dbraw/zinc/20/76/99/410207699.db2.gz PMQXHBFGEGPMIS-OPRDCNLKSA-N 1 0 214.309 0.750 10 0 BCAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]C[C@@H]1CCCN1C ZINC000393000359 410286480 /nfs/dbraw/zinc/28/64/80/410286480.db2.gz SJNRBQNVHAEARF-GARJFASQSA-N 1 0 225.336 0.337 10 0 BCAERO Cc1nnc(CNC(=O)[C@H]([NH3+])CC(C)C)n1C ZINC000393137456 410297947 /nfs/dbraw/zinc/29/79/47/410297947.db2.gz BRSKUNBNEGDUMW-SECBINFHSA-N 1 0 239.323 0.113 10 0 BCAERO CC(C)C(=O)NCC[NH2+]C[C@@H](O)C(C)(C)C ZINC000393217170 410312493 /nfs/dbraw/zinc/31/24/93/410312493.db2.gz LPBXUXPCZOSBIK-SNVBAGLBSA-N 1 0 230.352 0.755 10 0 BCAERO CCCCCNC(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000131192636 410416829 /nfs/dbraw/zinc/41/68/29/410416829.db2.gz OHJCFZSRGVKZDT-UHFFFAOYSA-N 1 0 241.379 0.977 10 0 BCAERO COC1CCN(C(=O)C[C@H]([NH3+])C(C)C)CC1 ZINC000128906546 410365388 /nfs/dbraw/zinc/36/53/88/410365388.db2.gz NHCIWXPVULZVAU-NSHDSACASA-N 1 0 228.336 0.997 10 0 BCAERO C[C@@H](NCc1cn(C)nn1)[C@@H]1CCC[NH2+]C1 ZINC000650759124 410407337 /nfs/dbraw/zinc/40/73/37/410407337.db2.gz DOCQETBPUBGNKS-NXEZZACHSA-N 1 0 223.324 0.293 10 0 BCAERO C[C@H](NCc1cn(C)nn1)[C@H]1CCC[NH2+]C1 ZINC000650759125 410407721 /nfs/dbraw/zinc/40/77/21/410407721.db2.gz DOCQETBPUBGNKS-UWVGGRQHSA-N 1 0 223.324 0.293 10 0 BCAERO COCC[NH+]1CCC(n2cc(N)cn2)CC1 ZINC000142014425 410519912 /nfs/dbraw/zinc/51/99/12/410519912.db2.gz IRNCBPRUODEROZ-UHFFFAOYSA-N 1 0 224.308 0.749 10 0 BCAERO CCN(CC)C(=O)[C@@H](C)[NH2+]C[C@H]1COCCO1 ZINC000038061854 169756090 /nfs/dbraw/zinc/75/60/90/169756090.db2.gz IZSLDKAGNHWYAS-MNOVXSKESA-N 1 0 244.335 0.248 10 0 BCAERO CC(C)(C(N)=O)n1c(N)[nH+]c2ccccc21 ZINC000045108637 166514777 /nfs/dbraw/zinc/51/47/77/166514777.db2.gz NXAAPVZCQYHLMF-UHFFFAOYSA-N 1 0 218.260 0.839 10 0 BCAERO CCc1nc(Cn2cc(C(C)(C)[NH3+])nn2)no1 ZINC000070118154 410664289 /nfs/dbraw/zinc/66/42/89/410664289.db2.gz ULNLPOVQDFVQQM-UHFFFAOYSA-N 1 0 236.279 0.466 10 0 BCAERO CC(C)(C)OC(=O)N[C@@H]1CO[C@@H]2C[NH2+]C[C@@H]12 ZINC000140804909 166667677 /nfs/dbraw/zinc/66/76/77/166667677.db2.gz DXQODYVKRDPTKR-DJLDLDEBSA-N 1 0 228.292 0.498 10 0 BCAERO CC(C)(C)OC(=O)[C@@]1(CO)CCC[C@@H]1[NH3+] ZINC000095934691 166673850 /nfs/dbraw/zinc/67/38/50/166673850.db2.gz XDJLQDPMPAXPCD-GZMMTYOYSA-N 1 0 215.293 0.818 10 0 BCAERO CC(C)CC(=O)N1CCN(C(=O)[C@H](C)[NH3+])CC1 ZINC000019677110 166762371 /nfs/dbraw/zinc/76/23/71/166762371.db2.gz SGXDYJGPDLFIJS-JTQLQIEISA-N 1 0 241.335 0.051 10 0 BCAERO CC[NH2+][C@H](C)CNc1nccn2nc(C)cc12 ZINC000387601086 410781517 /nfs/dbraw/zinc/78/15/17/410781517.db2.gz VWGYHIDKLJDDCX-SNVBAGLBSA-N 1 0 233.319 1.448 10 0 BCAERO COCC1(CNC(=O)[C@@H]2CCC[NH2+][C@H]2C)CC1 ZINC000655490013 410801974 /nfs/dbraw/zinc/80/19/74/410801974.db2.gz DDQQSAVAWSJBDH-WDEREUQCSA-N 1 0 240.347 0.917 10 0 BCAERO COCC1(CNC(=O)[C@H]2CCC[NH2+]C2)CC1 ZINC000655490353 410807120 /nfs/dbraw/zinc/80/71/20/410807120.db2.gz JLBMEHYXXFIIRQ-JTQLQIEISA-N 1 0 226.320 0.529 10 0 BCAERO COc1nccc(C[NH2+][C@@H]2CCC[C@@H](O)C2)n1 ZINC000395231048 410842850 /nfs/dbraw/zinc/84/28/50/410842850.db2.gz PVDVANLBCZNMOE-MWLCHTKSSA-N 1 0 237.303 0.878 10 0 BCAERO C[C@@H]1C[N@H+](C[C@H]2CCCN2C)CC[C@@H]1O ZINC000395310869 410843735 /nfs/dbraw/zinc/84/37/35/410843735.db2.gz BELDZJVYCIYIQX-UTUOFQBUSA-N 1 0 212.337 0.783 10 0 BCAERO C[C@@H]([NH2+]C[C@@H]1CCCN1C)[C@H](C)CO ZINC000395339005 410847199 /nfs/dbraw/zinc/84/71/99/410847199.db2.gz YLLLICCWQHXXSD-MXWKQRLJSA-N 1 0 200.326 0.687 10 0 BCAERO CO[C@H]1C[NH2+][C@@H](C(=O)Nc2cccnc2)C1 ZINC000040629585 410882326 /nfs/dbraw/zinc/88/23/26/410882326.db2.gz HUKBUBUNIIMCGA-NXEZZACHSA-N 1 0 221.260 0.397 10 0 BCAERO CCC(CC)NC(=O)[C@H]1C[C@@H](OC)C[NH2+]1 ZINC000040629498 410882515 /nfs/dbraw/zinc/88/25/15/410882515.db2.gz FWWMZUIWFMSWCM-NXEZZACHSA-N 1 0 214.309 0.668 10 0 BCAERO CC(C)C[NH2+][C@@H]1CC(=O)N(C2CC2)C1=O ZINC000102665236 167011183 /nfs/dbraw/zinc/01/11/83/167011183.db2.gz ONJNNAFKKREWKD-SECBINFHSA-N 1 0 210.277 0.522 10 0 BCAERO CC(C)C[NH2+][C@]1(C(N)=O)CCCSC1 ZINC000061590439 167014905 /nfs/dbraw/zinc/01/49/05/167014905.db2.gz MORQFPOIQQEZGM-SNVBAGLBSA-N 1 0 216.350 0.983 10 0 BCAERO CC(C)C[NH2+][C@]1(C(N)=O)CN2CCC1CC2 ZINC000037946290 167014952 /nfs/dbraw/zinc/01/49/52/167014952.db2.gz XATKQEJCZUIRFS-GFCCVEGCSA-N 1 0 225.336 0.182 10 0 BCAERO Cc1nccc(C(=O)N2C[C@H]([NH3+])[C@@H](C)C2)n1 ZINC000396900025 410904179 /nfs/dbraw/zinc/90/41/79/410904179.db2.gz XCPQKZXCSBASCV-CBAPKCEASA-N 1 0 220.276 0.204 10 0 BCAERO CC(C)NC(=[NH2+])N1CC[C@@H](N2CCOCC2)C1 ZINC000062985253 167034857 /nfs/dbraw/zinc/03/48/57/167034857.db2.gz DCKQNUGWVNYGDJ-LLVKDONJSA-N 1 0 240.351 0.326 10 0 BCAERO CC(C)NC(=O)CNC(=O)[C@@H]1[NH2+]CCC[C@@H]1C ZINC000051792882 167056206 /nfs/dbraw/zinc/05/62/06/167056206.db2.gz RTLGRFWGZJFLMU-GXSJLCMTSA-N 1 0 241.335 0.015 10 0 BCAERO CCN(CC)CC[NH2+]CCN1CCOCC1 ZINC000020053546 169779796 /nfs/dbraw/zinc/77/97/96/169779796.db2.gz INRAAZNTQXELJI-UHFFFAOYSA-N 1 0 229.368 0.250 10 0 BCAERO CC(C)NC(=O)C[NH2+]CC(=O)N1CCCCC1 ZINC000035148293 167058168 /nfs/dbraw/zinc/05/81/68/167058168.db2.gz BJUFFPZVCRZREF-UHFFFAOYSA-N 1 0 241.335 0.113 10 0 BCAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)N1CCc2n[nH]cc2C1 ZINC000396813610 410901453 /nfs/dbraw/zinc/90/14/53/410901453.db2.gz FEKPEHUQCYJUHM-MWLCHTKSSA-N 1 0 248.330 0.669 10 0 BCAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)NCc1cc[nH]n1 ZINC000041016320 410902375 /nfs/dbraw/zinc/90/23/75/410902375.db2.gz BBUZNZOIPGVBLA-VXNVDRBHSA-N 1 0 210.281 0.399 10 0 BCAERO CC(C)[NH2+]C1(CO)C[C@H]2CC[C@@H](C1)N2C ZINC000038115660 167094234 /nfs/dbraw/zinc/09/42/34/167094234.db2.gz NFYZRBHSUBXXTN-FOSCPWQOSA-N 1 0 212.337 0.972 10 0 BCAERO CC(C)[NH2+]CC(=O)Nc1ccccc1CC(N)=O ZINC000037609889 167097785 /nfs/dbraw/zinc/09/77/85/167097785.db2.gz MJSUQDJLGBLMTC-UHFFFAOYSA-N 1 0 249.314 0.651 10 0 BCAERO CC(C)[NH2+]C[C@@H](O)CN(C)Cc1cccnc1 ZINC000036771050 167111006 /nfs/dbraw/zinc/11/10/06/167111006.db2.gz ADKGJBZOAGOJON-CYBMUJFWSA-N 1 0 237.347 0.872 10 0 BCAERO CC(C)[NH2+]C[C@@H](O)COc1cccnc1 ZINC000167787477 167111672 /nfs/dbraw/zinc/11/16/72/167111672.db2.gz SJAATJATLORBGX-SNVBAGLBSA-N 1 0 210.277 0.819 10 0 BCAERO CC(C)[NH2+][C@H](CCO)[C@@H]1CCCCN1 ZINC000095088316 167138518 /nfs/dbraw/zinc/13/85/18/167138518.db2.gz UUASSAQXYVIEGB-WDEREUQCSA-N 1 0 200.326 0.878 10 0 BCAERO CC(C)OCC(=O)N(C)C[C@H]1CC[N@H+](C)C1 ZINC000122284533 167179096 /nfs/dbraw/zinc/17/90/96/167179096.db2.gz JJBQBDMLIMIKSW-NSHDSACASA-N 1 0 228.336 0.822 10 0 BCAERO CC[NH+](CC)CCSC[C@@H]([NH3+])C(=O)[O-] ZINC000019470257 169783453 /nfs/dbraw/zinc/78/34/53/169783453.db2.gz WIEHLBPQRGZODT-MRVPVSSYSA-N 1 0 220.338 0.473 10 0 BCAERO CC(C)[C@@H]([NH3+])CC(=O)NC[C@@]1(C)CCOC1 ZINC000397272895 410918187 /nfs/dbraw/zinc/91/81/87/410918187.db2.gz DVSGFPZQJDNULN-CMPLNLGQSA-N 1 0 228.336 0.903 10 0 BCAERO CC(C)OC[C@@H](O)CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000121995859 167261851 /nfs/dbraw/zinc/26/18/51/167261851.db2.gz FQPNOVQOZOGQJJ-OLZOCXBDSA-N 1 0 242.363 0.552 10 0 BCAERO CC(C)OC[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000215881011 167269023 /nfs/dbraw/zinc/26/90/23/167269023.db2.gz BNEFXHULDRRMET-SDDRHHMPSA-N 1 0 231.336 0.882 10 0 BCAERO CC(C)Oc1ncccc1NC(=O)C[NH3+] ZINC000042392516 167314036 /nfs/dbraw/zinc/31/40/36/167314036.db2.gz JONMRQHKEARURG-UHFFFAOYSA-N 1 0 209.249 0.766 10 0 BCAERO Cc1ncc(C[NH2+]C[C@H](O)COC(C)C)o1 ZINC000397921650 410938472 /nfs/dbraw/zinc/93/84/72/410938472.db2.gz OEYNEYBXRAYERX-JTQLQIEISA-N 1 0 228.292 0.859 10 0 BCAERO CC(C)[C@@H](C)NC(=O)CN(CCC[NH3+])C1CC1 ZINC000049307609 167372525 /nfs/dbraw/zinc/37/25/25/167372525.db2.gz MCDQFWMOHWPMBE-LLVKDONJSA-N 1 0 241.379 0.960 10 0 BCAERO CC(C)[C@@H](C)NC(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000042221822 167372652 /nfs/dbraw/zinc/37/26/52/167372652.db2.gz ARMFHOXDAUAALV-MNOVXSKESA-N 1 0 228.336 0.916 10 0 BCAERO CC(C)[C@@H](C[NH3+])C(=O)N1CCC[C@@H](O)C1 ZINC000044804687 167395743 /nfs/dbraw/zinc/39/57/43/167395743.db2.gz CNAOQSFXXPLHJR-NXEZZACHSA-N 1 0 214.309 0.201 10 0 BCAERO COC[C@H](NC(=O)[C@@H]1CCC[C@H]1C[NH3+])C1CC1 ZINC000397445696 410923910 /nfs/dbraw/zinc/92/39/10/410923910.db2.gz JYXSFGUDLOPKIW-TUAOUCFPSA-N 1 0 240.347 0.903 10 0 BCAERO CN(C[C@@H]1CCOC1)C(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000398854759 410993627 /nfs/dbraw/zinc/99/36/27/410993627.db2.gz TUMGKSWGICAXRQ-TUAOUCFPSA-N 1 0 240.347 0.856 10 0 BCAERO [NH3+][C@H](C(=O)NCC[C@@H]1CCCO1)C1CCC1 ZINC000398977428 411002812 /nfs/dbraw/zinc/00/28/12/411002812.db2.gz DLAIMFBBTJWVLD-QWRGUYRKSA-N 1 0 226.320 0.799 10 0 BCAERO C[C@H](Cc1ccccn1)NC(=O)[C@@H]1CC[NH2+]C1 ZINC000655499433 411028534 /nfs/dbraw/zinc/02/85/34/411028534.db2.gz LJEBIRZULGPHEQ-GHMZBOCLSA-N 1 0 233.315 0.738 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N[C@H](C)Cc1ccccn1 ZINC000655499791 411036571 /nfs/dbraw/zinc/03/65/71/411036571.db2.gz QGYYQDQLEAQFIK-MWLCHTKSSA-N 1 0 237.303 0.103 10 0 BCAERO C[C@H](C1CC1)N(C)C(=O)C1(C[NH3+])CCOCC1 ZINC000044762844 411139933 /nfs/dbraw/zinc/13/99/33/411139933.db2.gz BHEMSJZASQYOSO-SNVBAGLBSA-N 1 0 240.347 0.999 10 0 BCAERO CN(Cc1nccn1C)[C@@H]1CCC[NH2+]CC1 ZINC000082666898 411151703 /nfs/dbraw/zinc/15/17/03/411151703.db2.gz SQSWPXXWBOXDLY-LLVKDONJSA-N 1 0 222.336 0.994 10 0 BCAERO CN1CCO[C@@H](C[NH2+][C@H]2COC3(CCC3)C2)C1 ZINC000657912109 411164763 /nfs/dbraw/zinc/16/47/63/411164763.db2.gz WSOPWLNOFWPGMJ-NEPJUHHUSA-N 1 0 240.347 0.618 10 0 BCAERO COC[C@H](C)NC(=O)[C@H]1[NH2+]CCCC1(C)C ZINC000300356632 411118339 /nfs/dbraw/zinc/11/83/39/411118339.db2.gz NGLOZPDGHVUXGG-VHSXEESVSA-N 1 0 228.336 0.916 10 0 BCAERO C[NH2+]CCC(=O)NCC[C@@H]1CCCO1 ZINC000043605496 411123850 /nfs/dbraw/zinc/12/38/50/411123850.db2.gz WHIYIAGOZARRLX-VIFPVBQESA-N 1 0 200.282 0.281 10 0 BCAERO CCCCOC[C@H](O)C[NH2+]C[C@@H]1CC[C@H](O)C1 ZINC000300699223 411125012 /nfs/dbraw/zinc/12/50/12/411125012.db2.gz SUAKNIBIBVJBJM-FRRDWIJNSA-N 1 0 245.363 0.915 10 0 BCAERO C[C@@H]1C[C@@H]1NC(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000309544833 411169074 /nfs/dbraw/zinc/16/90/74/411169074.db2.gz ZJNQZTFDQOXQCK-CSMHCCOUSA-N 1 0 218.247 0.756 10 0 BCAERO COC1(CO)CCN(C[C@H]2CCC[N@@H+]2C)CC1 ZINC000401760490 411170883 /nfs/dbraw/zinc/17/08/83/411170883.db2.gz HSEHUCAWXQSOER-GFCCVEGCSA-N 1 0 242.363 0.554 10 0 BCAERO CCOC(=O)C1CC[NH+](CCC(N)=O)CC1 ZINC000047979814 411171073 /nfs/dbraw/zinc/17/10/73/411171073.db2.gz ZDMVHDHMBONHBT-UHFFFAOYSA-N 1 0 228.292 0.137 10 0 BCAERO CCO[C@@H]1CN(c2ccnc(C)n2)C[C@H]1C[NH3+] ZINC000405194618 411187184 /nfs/dbraw/zinc/18/71/84/411187184.db2.gz AAOAXUUOJNDZMF-GHMZBOCLSA-N 1 0 236.319 0.585 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)N(C)C[C@H]1CCCO1 ZINC000129001547 411196636 /nfs/dbraw/zinc/19/66/36/411196636.db2.gz SVEPXTQYLUJPLN-GHMZBOCLSA-N 1 0 228.336 0.997 10 0 BCAERO Cc1cc(CNC(=O)C[C@H]([NH3+])C(C)C)no1 ZINC000129017881 411203057 /nfs/dbraw/zinc/20/30/57/411203057.db2.gz KNDGRLZIQUQVIM-JTQLQIEISA-N 1 0 225.292 0.973 10 0 BCAERO CC(C)[C@@H]([NH3+])CC(=O)N[C@@H]1CCCOC1 ZINC000129060333 411216923 /nfs/dbraw/zinc/21/69/23/411216923.db2.gz GANXEAHMYYEYPQ-ZJUUUORDSA-N 1 0 214.309 0.655 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)NCc1ccnn1C ZINC000129059210 411216958 /nfs/dbraw/zinc/21/69/58/411216958.db2.gz WZLFZJQAGGJMHU-SNVBAGLBSA-N 1 0 224.308 0.410 10 0 BCAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)CCc1cccnc1 ZINC000310237486 411229826 /nfs/dbraw/zinc/22/98/26/411229826.db2.gz BCNWPRJCQWHJAN-PWSUYJOCSA-N 1 0 233.315 0.962 10 0 BCAERO CC(C)[C@@H]([NH3+])CC(=O)N[C@@H]1CCOC1 ZINC000129144480 411232676 /nfs/dbraw/zinc/23/26/76/411232676.db2.gz LWYJXDPJMDYBCZ-BDAKNGLRSA-N 1 0 200.282 0.265 10 0 BCAERO Cc1nccc(C(=O)N2C[C@@H](C)[C@@H]([NH3+])C2)n1 ZINC000396900024 411240663 /nfs/dbraw/zinc/24/06/63/411240663.db2.gz XCPQKZXCSBASCV-APPZFPTMSA-N 1 0 220.276 0.204 10 0 BCAERO CC1(C)[C@H]([NH2+]C/C=C/CO)[C@@H]2CCO[C@@H]21 ZINC000658137760 411261693 /nfs/dbraw/zinc/26/16/93/411261693.db2.gz JIFOGFPUQVJVNN-KVNXUHIHSA-N 1 0 211.305 0.938 10 0 BCAERO CON(C)C(=O)[C@@H]1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000536958719 411266139 /nfs/dbraw/zinc/26/61/39/411266139.db2.gz KEFPHPRHGFKNQJ-AYMMMOKOSA-N 1 0 200.282 0.783 10 0 BCAERO C[C@H]1SCC[C@@H]1NC(=O)C1([NH3+])CCOCC1 ZINC000309837921 411268020 /nfs/dbraw/zinc/26/80/20/411268020.db2.gz MVLPETQPXHPYCM-BDAKNGLRSA-N 1 0 244.360 0.505 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)NC[C@H]1CCCO1 ZINC000128875211 411269340 /nfs/dbraw/zinc/26/93/40/411269340.db2.gz NNELOLDYLQIOAY-NXEZZACHSA-N 1 0 214.309 0.655 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N(C)Cc1ncc[nH]1 ZINC000070645756 411271269 /nfs/dbraw/zinc/27/12/69/411271269.db2.gz INOUABIJTORQGO-RKDXNWHRSA-N 1 0 222.292 0.224 10 0 BCAERO C[C@@H]1C[NH+](CC[C@@H]2CCNC2=O)C[C@@H](C)O1 ZINC000313879183 411273466 /nfs/dbraw/zinc/27/34/66/411273466.db2.gz GKYVRKKJAVMYRD-MXWKQRLJSA-N 1 0 226.320 0.622 10 0 BCAERO Nc1cc([C@@H]2CCOCC[N@@H+]2CCO)ccn1 ZINC000616596951 411278832 /nfs/dbraw/zinc/27/88/32/411278832.db2.gz ASRZUOCXMJVRCS-NSHDSACASA-N 1 0 237.303 0.420 10 0 BCAERO Nc1cc([C@@H]2CN(CC[NH3+])CCCO2)ccn1 ZINC000616680058 411287478 /nfs/dbraw/zinc/28/74/78/411287478.db2.gz MENONUSXUKLYGH-NSHDSACASA-N 1 0 236.319 0.386 10 0 BCAERO Nc1cc([C@@H]2CCCN(CC[NH3+])C2)[nH]n1 ZINC000616620605 411287605 /nfs/dbraw/zinc/28/76/05/411287605.db2.gz LVPPZGBGFQLHRO-MRVPVSSYSA-N 1 0 209.297 0.130 10 0 BCAERO CC(C)OC[C@@H](O)C[NH2+][C@@H]1CCCC[C@@H]1O ZINC000052014435 411288382 /nfs/dbraw/zinc/28/83/82/411288382.db2.gz DRWQTNOBUHUWNJ-TUAOUCFPSA-N 1 0 231.336 0.665 10 0 BCAERO Cc1nnc2c(N[C@@H]3CCC[C@@H]([NH3+])C3)nccn12 ZINC000382457001 411290369 /nfs/dbraw/zinc/29/03/69/411290369.db2.gz KGRMVLIRHOHQBM-NXEZZACHSA-N 1 0 246.318 0.536 10 0 BCAERO C[NH+](C)[C@@H]1CCN(C(=O)c2ccc(N)nc2)C1 ZINC000062984736 411330148 /nfs/dbraw/zinc/33/01/48/411330148.db2.gz PFWNYGSIHGEZEK-SNVBAGLBSA-N 1 0 234.303 0.440 10 0 BCAERO CSC[C@@H](C)NC(=O)[C@H]1CC[NH2+]C1 ZINC000158443727 411304512 /nfs/dbraw/zinc/30/45/12/411304512.db2.gz FXUNNCUBSMLTHC-SFYZADRCSA-N 1 0 202.323 0.464 10 0 BCAERO Cc1noc(CN(C)C(=O)[C@H]2C[C@H](F)C[NH2+]2)n1 ZINC000655527050 411306804 /nfs/dbraw/zinc/30/68/04/411306804.db2.gz HZAVACLHBDHDHB-JGVFFNPUSA-N 1 0 242.254 0.036 10 0 BCAERO CN(C)c1nccc(N(C)CC(C)(C)[NH3+])n1 ZINC000656609234 411307727 /nfs/dbraw/zinc/30/77/27/411307727.db2.gz UDIYQMXOLNICJX-UHFFFAOYSA-N 1 0 223.324 0.716 10 0 BCAERO CN1C[C@@H](C[NH2+][C@H]2CCOC2(C)C)CC1=O ZINC000658241201 411309085 /nfs/dbraw/zinc/30/90/85/411309085.db2.gz MCNZYXUCGARPFD-ZJUUUORDSA-N 1 0 226.320 0.622 10 0 BCAERO CCOC1CC([NH2+]C[C@H]2CC(=O)N(C)C2)C1 ZINC000658243541 411310156 /nfs/dbraw/zinc/31/01/56/411310156.db2.gz OIZHRNAMYDQYLJ-KPPDAEKUSA-N 1 0 226.320 0.622 10 0 BCAERO COC[C@H]([NH2+]C[C@@H]1CC(=O)N(C)C1)C(C)C ZINC000658245737 411311348 /nfs/dbraw/zinc/31/13/48/411311348.db2.gz ZYAUIEMXRLOBBM-QWRGUYRKSA-N 1 0 228.336 0.725 10 0 BCAERO COC[C@@H]([NH2+]C[C@@H]1CC(=O)N(C)C1)C(C)C ZINC000658245738 411311617 /nfs/dbraw/zinc/31/16/17/411311617.db2.gz ZYAUIEMXRLOBBM-WDEREUQCSA-N 1 0 228.336 0.725 10 0 BCAERO C[N@H+](C[C@@H]1CCC[C@H]1O)[C@@H]1CCC[C@H]1O ZINC000656698075 411323208 /nfs/dbraw/zinc/32/32/08/411323208.db2.gz OTXRDRCVVCOBHA-IRCOFANPSA-N 1 0 213.321 0.993 10 0 BCAERO CC(C)([NH3+])CN1CC[C@H](N2CCOCC2)C1 ZINC000071137287 411326349 /nfs/dbraw/zinc/32/63/49/411326349.db2.gz MWLCPGXBEMGYTJ-NSHDSACASA-N 1 0 227.352 0.130 10 0 BCAERO Cc1cccn2cc(Cn3cc(C[NH3+])nn3)nc12 ZINC000050224911 411254129 /nfs/dbraw/zinc/25/41/29/411254129.db2.gz FXBUMXFVSGUCPA-UHFFFAOYSA-N 1 0 242.286 0.741 10 0 BCAERO C[C@@H](C(=O)N1CCCCC1)n1cc(C[NH3+])nn1 ZINC000050224688 411254922 /nfs/dbraw/zinc/25/49/22/411254922.db2.gz PJTOFWFLERULDK-VIFPVBQESA-N 1 0 237.307 0.310 10 0 BCAERO CN(Cc1cn[nH]c1)C(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000070230197 411257026 /nfs/dbraw/zinc/25/70/26/411257026.db2.gz STJUQONTAPCMTG-WDEREUQCSA-N 1 0 236.319 0.886 10 0 BCAERO C[C@@H](CN(C)Cc1ccccc1)[NH2+]CCC(N)=O ZINC000309814416 411257292 /nfs/dbraw/zinc/25/72/92/411257292.db2.gz NTTPRTWCNLSLMO-LBPRGKRZSA-N 1 0 249.358 0.972 10 0 BCAERO CC(C)[C@@H]([NH3+])CC(=O)NCCc1ncc[nH]1 ZINC000125145487 411349722 /nfs/dbraw/zinc/34/97/22/411349722.db2.gz VXZAFNIGBHSKAE-VIFPVBQESA-N 1 0 224.308 0.442 10 0 BCAERO CC(C)(C)[C@H](O)C[NH2+]CC1(O)CCOCC1 ZINC000304238350 411355503 /nfs/dbraw/zinc/35/55/03/411355503.db2.gz NAYLTZVLUGLHEH-SNVBAGLBSA-N 1 0 231.336 0.525 10 0 BCAERO CC[C@@H]1CN(C(=O)[C@@H]2CC[NH2+]C2)[C@@H](C)CO1 ZINC000403963773 411370125 /nfs/dbraw/zinc/37/01/25/411370125.db2.gz SHXIASIEYQBLNO-HBNTYKKESA-N 1 0 226.320 0.622 10 0 BCAERO CC[C@@H]1CN(C(=O)[C@H]2CC[NH2+]C2)[C@@H](C)CO1 ZINC000403963771 411370278 /nfs/dbraw/zinc/37/02/78/411370278.db2.gz SHXIASIEYQBLNO-GARJFASQSA-N 1 0 226.320 0.622 10 0 BCAERO C[C@@H]([NH3+])CCC(=O)NCC[C@@H]1CCCO1 ZINC000069839638 411371738 /nfs/dbraw/zinc/37/17/38/411371738.db2.gz VVQAZCOWXPZZPD-ZJUUUORDSA-N 1 0 214.309 0.799 10 0 BCAERO CN(C[C@H]1CCCO1)C(=O)[C@H]1CC[NH2+]C1 ZINC000062116421 411347983 /nfs/dbraw/zinc/34/79/83/411347983.db2.gz FPKCHYZIMQXULW-VHSXEESVSA-N 1 0 212.293 0.233 10 0 BCAERO CC(C)([NH3+])c1cn(C[C@@H](O)C(F)(F)F)nn1 ZINC000069679391 411380158 /nfs/dbraw/zinc/38/01/58/411380158.db2.gz JXHNHXSKLBERQX-ZCFIWIBFSA-N 1 0 238.213 0.395 10 0 BCAERO CC1CC(=O)N(C[C@@H]2CCC[NH2+]2)C(=O)C1 ZINC000061829087 168138535 /nfs/dbraw/zinc/13/85/35/168138535.db2.gz KZCOXOJNMHGASW-VIFPVBQESA-N 1 0 210.277 0.524 10 0 BCAERO CC1CCC(CO)(NC(=O)C(C)(C)[NH3+])CC1 ZINC000053127288 168157127 /nfs/dbraw/zinc/15/71/27/168157127.db2.gz KIILFFZTSRNCAG-UHFFFAOYSA-N 1 0 228.336 0.781 10 0 BCAERO CC(C)(C[NH3+])Nc1ccc(Br)nn1 ZINC000575588700 411375621 /nfs/dbraw/zinc/37/56/21/411375621.db2.gz RREJDIMVGFXQGD-UHFFFAOYSA-N 1 0 245.124 1.388 10 0 BCAERO C[C@@]1(CNC(=O)[C@H]2CC[NH2+]C2)CC1(F)F ZINC000659360221 411375974 /nfs/dbraw/zinc/37/59/74/411375974.db2.gz BGJSAKXMIKYBHZ-CBAPKCEASA-N 1 0 218.247 0.757 10 0 BCAERO CC1CCN(C(=O)CSCC[NH3+])CC1 ZINC000037035923 168172554 /nfs/dbraw/zinc/17/25/54/168172554.db2.gz ICSCJSQCRLJMAH-UHFFFAOYSA-N 1 0 216.350 0.937 10 0 BCAERO c1cncc(CCN2CC[C@H]3OCC[NH2+][C@H]3C2)c1 ZINC000404275497 411387961 /nfs/dbraw/zinc/38/79/61/411387961.db2.gz RTUCISOXYIZDLP-UONOGXRCSA-N 1 0 247.342 0.687 10 0 BCAERO CCC(=O)N1CC[N@H+](CCOC)[C@@H](CC)C1 ZINC000117301320 168220745 /nfs/dbraw/zinc/22/07/45/168220745.db2.gz GPTFLEDANZTCGI-NSHDSACASA-N 1 0 228.336 0.966 10 0 BCAERO CCC(=O)N1C[C@@H](C[NH3+])OCC1(C)C ZINC000011887647 168227005 /nfs/dbraw/zinc/22/70/05/168227005.db2.gz YKIVQBFIQIDIRU-MRVPVSSYSA-N 1 0 200.282 0.361 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC[C@@H](C)O[C@@H](C)C1 ZINC000659372516 411387570 /nfs/dbraw/zinc/38/75/70/411387570.db2.gz FEFKRYWJWPHZHG-WISYIIOYSA-N 1 0 240.347 0.868 10 0 BCAERO CCC(C)(C)NC(=O)NC[C@H]1CN(C)CCO1 ZINC000120553324 168292754 /nfs/dbraw/zinc/29/27/54/168292754.db2.gz PKPIZGFOANBBAK-JTQLQIEISA-N 1 0 243.351 0.805 10 0 BCAERO CCC(C)(C)NC(=O)[C@H]1C[C@H](OC)C[NH2+]1 ZINC000040629326 168296843 /nfs/dbraw/zinc/29/68/43/168296843.db2.gz PBKRZAZDOHHWBC-DTWKUNHWSA-N 1 0 214.309 0.668 10 0 BCAERO C[C@H]([NH3+])[C@H]1CN(c2ccc(F)cn2)CCO1 ZINC000126795035 411457959 /nfs/dbraw/zinc/45/79/59/411457959.db2.gz VDDKXMSTBKDDEQ-WCBMZHEXSA-N 1 0 225.267 0.773 10 0 BCAERO C[C@@H]1OCC[C@@H]1NC(=O)C1([NH3+])CC2(CCC2)C1 ZINC000659307618 411392433 /nfs/dbraw/zinc/39/24/33/411392433.db2.gz SOBMMCJJFUQLDR-UWVGGRQHSA-N 1 0 238.331 0.942 10 0 BCAERO COC[C@@H](CCNC(=O)[C@@H]1C[NH2+]C[C@H]1C)OC ZINC000659338558 411398181 /nfs/dbraw/zinc/39/81/81/411398181.db2.gz XZHCRIMZPGSNSB-GMTAPVOTSA-N 1 0 244.335 0.010 10 0 BCAERO COC[C@H](CCNC(=O)[C@H]1CC[C@@H]([NH3+])C1)OC ZINC000659338273 411398259 /nfs/dbraw/zinc/39/82/59/411398259.db2.gz WNFUOKABCSPFCY-AXFHLTTASA-N 1 0 244.335 0.282 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)NCCO[C@H]1CC1(F)F ZINC000659346110 411400835 /nfs/dbraw/zinc/40/08/35/411400835.db2.gz RIIMOYNSIGJYBR-HLTSFMKQSA-N 1 0 248.273 0.382 10 0 BCAERO O=C(NCCc1ccoc1)[C@H]1CC[NH2+]C1 ZINC000659361214 411403353 /nfs/dbraw/zinc/40/33/53/411403353.db2.gz NCZNWERPBUQJLY-JTQLQIEISA-N 1 0 208.261 0.548 10 0 BCAERO CCN(CCO)C(=O)[C@H]1[NH2+]CCC[C@@H]1C ZINC000051793163 169850324 /nfs/dbraw/zinc/85/03/24/169850324.db2.gz OTVGAZPJHPRIGG-UWVGGRQHSA-N 1 0 214.309 0.215 10 0 BCAERO C[NH2+][C@H](C)C(=O)NC[C@H]1CCC[C@H](C)O1 ZINC000659363011 411404516 /nfs/dbraw/zinc/40/45/16/411404516.db2.gz ZBKYBBZMSVAKIB-IVZWLZJFSA-N 1 0 214.309 0.668 10 0 BCAERO C[NH2+][C@H](C)C(=O)NC[C@H](OC)C1CCCC1 ZINC000659383811 411408860 /nfs/dbraw/zinc/40/88/60/411408860.db2.gz WASGZQMGNMCVQT-KOLCDFICSA-N 1 0 228.336 0.916 10 0 BCAERO O=C(NCC1CC1)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653063515 411409905 /nfs/dbraw/zinc/40/99/05/411409905.db2.gz KJGMLXHCXJUVCS-HTQZYQBOSA-N 1 0 236.237 0.911 10 0 BCAERO CNC(=O)[C@@H]1CCCN1C(=O)C[C@H]([NH3+])C(C)C ZINC000126140037 411418927 /nfs/dbraw/zinc/41/89/27/411418927.db2.gz YPXIYHUULIJNAY-UWVGGRQHSA-N 1 0 241.335 0.097 10 0 BCAERO CC(C)(C)[C@@H](O)CNC(=O)C[NH2+]C1CC1 ZINC000305850542 411426398 /nfs/dbraw/zinc/42/63/98/411426398.db2.gz USWICLYJWCZGBI-VIFPVBQESA-N 1 0 214.309 0.262 10 0 BCAERO CC[C@H](C)[C@@H]([NH3+])C(=O)NCCN1CCCC1=O ZINC000405423630 411428533 /nfs/dbraw/zinc/42/85/33/411428533.db2.gz ULFSYCKQNHZJTA-GXSJLCMTSA-N 1 0 241.335 0.098 10 0 BCAERO Cn1c2ccccc2nc1Cn1cc(C[NH3+])nn1 ZINC000122883164 411436805 /nfs/dbraw/zinc/43/68/05/411436805.db2.gz YFWBAOALTJGWAH-UHFFFAOYSA-N 1 0 242.286 0.672 10 0 BCAERO CCC[C@@H](C)NC(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000131191442 411439739 /nfs/dbraw/zinc/43/97/39/411439739.db2.gz WSLUXIVFGFRNBK-LLVKDONJSA-N 1 0 241.379 0.975 10 0 BCAERO Cn1cc(NC(=O)[C@@]2(C)CCC[NH2+]2)cn1 ZINC000070618761 411440634 /nfs/dbraw/zinc/44/06/34/411440634.db2.gz BUNTWZIZQDCOPD-SNVBAGLBSA-N 1 0 208.265 0.501 10 0 BCAERO O=C(CC[NH2+]C1CC1)N[C@@H]1CCCOC1 ZINC000071023723 411449005 /nfs/dbraw/zinc/44/90/05/411449005.db2.gz NDGVANRMRGCFHM-SNVBAGLBSA-N 1 0 212.293 0.424 10 0 BCAERO CC[C@@H]1C[C@H]([NH2+][C@@H]2CCCNC2=O)CO1 ZINC000657337973 411473301 /nfs/dbraw/zinc/47/33/01/411473301.db2.gz OKFLDCPVDPBPLO-IVZWLZJFSA-N 1 0 212.293 0.422 10 0 BCAERO [NH3+]Cc1cc(C(=O)N[C@H]2CCC[C@@H](O)C2)ccn1 ZINC000130012675 411481642 /nfs/dbraw/zinc/48/16/42/411481642.db2.gz QMXNAHAAHIOPJP-CMPLNLGQSA-N 1 0 249.314 0.574 10 0 BCAERO CCN(Cc1nnc(C)n1C)[C@@H]1CCC[NH2+]C1 ZINC000104327492 169938184 /nfs/dbraw/zinc/93/81/84/169938184.db2.gz RTMXMTGITVRRFA-LLVKDONJSA-N 1 0 237.351 0.697 10 0 BCAERO CCN([C@@H](C)C(=O)NC(C)(C)C)[C@H]1CC[NH2+]C1 ZINC000071314021 169940914 /nfs/dbraw/zinc/94/09/14/169940914.db2.gz PHCCDPLYIRNEPC-QWRGUYRKSA-N 1 0 241.379 0.973 10 0 BCAERO CCCCOC[C@H](O)C[NH2+]C[C@H]1CC[C@H](O)C1 ZINC000300699225 411491151 /nfs/dbraw/zinc/49/11/51/411491151.db2.gz SUAKNIBIBVJBJM-RWMBFGLXSA-N 1 0 245.363 0.915 10 0 BCAERO Nc1cc[nH+]cc1C(=O)NCC[C@@H]1CCCO1 ZINC000127508603 411491966 /nfs/dbraw/zinc/49/19/66/411491966.db2.gz VLKGFQDYGSGMQX-VIFPVBQESA-N 1 0 235.287 0.963 10 0 BCAERO C[C@@H]1CN(C(=O)C2([NH3+])CCOCC2)[C@@H](C)CO1 ZINC000127751404 411510743 /nfs/dbraw/zinc/51/07/43/411510743.db2.gz IIDAPZANCSVGQH-VHSXEESVSA-N 1 0 242.319 0.130 10 0 BCAERO C[C@@H]1CN(C(=O)C[C@H]2CCOC2)C[C@H]1C[NH3+] ZINC000638892283 411513121 /nfs/dbraw/zinc/51/31/21/411513121.db2.gz WETDHOUDOYCWAD-GMTAPVOTSA-N 1 0 226.320 0.466 10 0 BCAERO C[C@@H]1CN(C(=O)[C@H]2CCCS2)C[C@H]1C[NH3+] ZINC000638916547 411514366 /nfs/dbraw/zinc/51/43/66/411514366.db2.gz SJVZRZCXFAPQLT-OPRDCNLKSA-N 1 0 228.361 0.935 10 0 BCAERO CC[C@@H]1C[C@H]([NH2+][C@H]2CCC(=O)N[C@H]2C)CO1 ZINC000657457761 411521102 /nfs/dbraw/zinc/52/11/02/411521102.db2.gz CMQUNAZTGMEJJU-MMWGEVLESA-N 1 0 226.320 0.811 10 0 BCAERO CC(C)[C@@H]([NH3+])CC(=O)NCCCn1cccn1 ZINC000126994303 411465332 /nfs/dbraw/zinc/46/53/32/411465332.db2.gz MMVBACHDHCNGSN-NSHDSACASA-N 1 0 238.335 0.763 10 0 BCAERO CC[N@@H+]1CC[C@H](CNC(=O)[C@@H](C)COC)C1 ZINC000103534563 170015347 /nfs/dbraw/zinc/01/53/47/170015347.db2.gz LGFLSFQWWQZJKY-WDEREUQCSA-N 1 0 228.336 0.727 10 0 BCAERO CC[N@@H+]1CCc2nc(C)c(N)nc2CC1 ZINC000039101069 170025247 /nfs/dbraw/zinc/02/52/47/170025247.db2.gz RRAHSZKJJYYLNW-UHFFFAOYSA-N 1 0 206.293 0.788 10 0 BCAERO CC[N@@H+]1CCc2ncc(N)nc2C[C@@H]1C ZINC000039101073 170025482 /nfs/dbraw/zinc/02/54/82/170025482.db2.gz XTLDINFSSGWHDY-QMMMGPOBSA-N 1 0 206.293 0.868 10 0 BCAERO Cc1ncccc1C[NH2+][C@@H]1CCNC1=O ZINC000657524648 411542288 /nfs/dbraw/zinc/54/22/88/411542288.db2.gz MKIMWASTUNHEND-SNVBAGLBSA-N 1 0 205.261 0.368 10 0 BCAERO CCNC(=O)CN(C)C(=O)C[C@H]1CCCC[NH2+]1 ZINC000049716928 170054538 /nfs/dbraw/zinc/05/45/38/170054538.db2.gz ATVKRSKUKAOEJG-SNVBAGLBSA-N 1 0 241.335 0.113 10 0 BCAERO CCNC(=O)CN(C)Cc1ccc(C[NH3+])cc1 ZINC000037758040 170055036 /nfs/dbraw/zinc/05/50/36/170055036.db2.gz MGKDTUFYHFAEQE-UHFFFAOYSA-N 1 0 235.331 0.713 10 0 BCAERO CCNC(=O)CN(C)[C@H]1CCCCC[C@@H]1[NH3+] ZINC000049728220 170055228 /nfs/dbraw/zinc/05/52/28/170055228.db2.gz LEPRJMNYNDMTRJ-QWRGUYRKSA-N 1 0 227.352 0.714 10 0 BCAERO CCNC(=O)CN(CC)C(=O)C[C@H]1CCC[NH2+]1 ZINC000042295154 170056255 /nfs/dbraw/zinc/05/62/55/170056255.db2.gz YDVUOHVOAPWVOO-SNVBAGLBSA-N 1 0 241.335 0.113 10 0 BCAERO CCNC(=O)CN(CC)C(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000091545456 170056616 /nfs/dbraw/zinc/05/66/16/170056616.db2.gz OLXJPTNKPSXZMI-NXEZZACHSA-N 1 0 241.335 0.098 10 0 BCAERO CCNC(=O)CN1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000051360076 170060020 /nfs/dbraw/zinc/06/00/20/170060020.db2.gz CRWLUJFSFYNBED-WDEREUQCSA-N 1 0 225.336 0.339 10 0 BCAERO CCNC(=O)CNC(=O)[C@@H]1CC[C@H](C)[C@H]([NH3+])C1 ZINC000055125743 170062988 /nfs/dbraw/zinc/06/29/88/170062988.db2.gz HBLWAMWMTHURFL-IVZWLZJFSA-N 1 0 241.335 0.002 10 0 BCAERO CCNC(=O)CNCCC[NH+](CC)CC ZINC000020052115 170064519 /nfs/dbraw/zinc/06/45/19/170064519.db2.gz SJENEGBNLWCUEP-UHFFFAOYSA-N 1 0 215.341 0.444 10 0 BCAERO CCNC(=O)C[NH2+]C[C@H]1CCCN1CC ZINC000020054259 170064545 /nfs/dbraw/zinc/06/45/45/170064545.db2.gz UJJFRTHGOXXIEO-SNVBAGLBSA-N 1 0 213.325 0.196 10 0 BCAERO CC(C)n1cncc1C[NH2+][C@@H]1CCNC1=O ZINC000657525355 411543265 /nfs/dbraw/zinc/54/32/65/411543265.db2.gz YLBOYASITOIIJV-SNVBAGLBSA-N 1 0 222.292 0.442 10 0 BCAERO CCNC(=O)N1CCN([C@H](CC)CC[NH3+])CC1 ZINC000037039431 170074627 /nfs/dbraw/zinc/07/46/27/170074627.db2.gz BGYKIDLBJVFJAS-LLVKDONJSA-N 1 0 242.367 0.461 10 0 BCAERO CCNC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000113575548 170074878 /nfs/dbraw/zinc/07/48/78/170074878.db2.gz LAEAVGDYWRNMCV-UWVGGRQHSA-N 1 0 211.309 0.884 10 0 BCAERO CCNC(=O)NC(=O)[C@H](C)[NH2+]C1CCC1 ZINC000052210306 170078584 /nfs/dbraw/zinc/07/85/84/170078584.db2.gz BEZZJIZMLIOOPD-ZETCQYMHSA-N 1 0 213.281 0.363 10 0 BCAERO CCNC(=O)[C@@H](C)[NH2+]CCc1ccco1 ZINC000037977752 170087661 /nfs/dbraw/zinc/08/76/61/170087661.db2.gz QFUWECZYWPWKPT-SECBINFHSA-N 1 0 210.277 0.936 10 0 BCAERO CCNC(=O)[C@@H](C)NC[C@@H](C)C[NH+]1CCCC1 ZINC000062071997 170087765 /nfs/dbraw/zinc/08/77/65/170087765.db2.gz RNIAQRVHSLANTR-VXGBXAGGSA-N 1 0 241.379 0.833 10 0 BCAERO CCNC(=O)[C@@H](C)[NH2+]C[C@@H](O)COC(C)(C)C ZINC000049202046 170088403 /nfs/dbraw/zinc/08/84/03/170088403.db2.gz AFGXEPWZLSHZJN-NXEZZACHSA-N 1 0 246.351 0.277 10 0 BCAERO CCNC(=O)[C@H](C)NC(=O)[C@]1(C)CCCC[NH2+]1 ZINC000136146047 170094123 /nfs/dbraw/zinc/09/41/23/170094123.db2.gz LWBMPJRESMSQMN-CABZTGNLSA-N 1 0 241.335 0.159 10 0 BCAERO CCNC(=O)[C@H](C)NC[C@@H](C)C[NH+]1CCCC1 ZINC000062071999 170095046 /nfs/dbraw/zinc/09/50/46/170095046.db2.gz RNIAQRVHSLANTR-NEPJUHHUSA-N 1 0 241.379 0.833 10 0 BCAERO CCNC(=O)[C@H](C)[NH2+]C1CCS(=O)CC1 ZINC000042336395 170095414 /nfs/dbraw/zinc/09/54/14/170095414.db2.gz CZCULUZYHSZIPV-GMSXMYEBSA-N 1 0 232.349 0.012 10 0 BCAERO CCNC(=O)[C@H](C)OC1CC[NH2+]CC1 ZINC000036963135 170096863 /nfs/dbraw/zinc/09/68/63/170096863.db2.gz XWZRPUZRZWIVBX-QMMMGPOBSA-N 1 0 200.282 0.280 10 0 BCAERO CCNC(=O)c1ccccc1NCC1=[NH+]CCN1 ZINC000026733891 170103328 /nfs/dbraw/zinc/10/33/28/170103328.db2.gz LQGPNFSDWYQHAY-UHFFFAOYSA-N 1 0 246.314 0.850 10 0 BCAERO CC[NH2+]C(C)(C)C(=O)N1CCNC(=O)[C@H]1CC ZINC000104142628 170106521 /nfs/dbraw/zinc/10/65/21/170106521.db2.gz YEPKQCFFSVLUDV-SECBINFHSA-N 1 0 241.335 0.112 10 0 BCAERO CC[NH2+]C(C)(C)C(=O)N[C@H]1CCCC[C@@H]1O ZINC000061299448 170107669 /nfs/dbraw/zinc/10/76/69/170107669.db2.gz JKLLSKOWVYAYRU-UWVGGRQHSA-N 1 0 228.336 0.794 10 0 BCAERO CC[NH2+]C1CCN(CC(=O)N[C@@H](C)CC)CC1 ZINC000037537021 170108818 /nfs/dbraw/zinc/10/88/18/170108818.db2.gz VVEBCGIOPXWKJL-NSHDSACASA-N 1 0 241.379 0.975 10 0 BCAERO CC[NH2+]C1CCN(Cc2cnn(C)c2)CC1 ZINC000050530792 170108907 /nfs/dbraw/zinc/10/89/07/170108907.db2.gz ZITZDGKHALKVQQ-UHFFFAOYSA-N 1 0 222.336 0.994 10 0 BCAERO CC[NH2+]C1CCN([C@H](C)C(=O)N(C)C)CC1 ZINC000037469358 170109107 /nfs/dbraw/zinc/10/91/07/170109107.db2.gz ZQQCMLOIWCXJOB-SNVBAGLBSA-N 1 0 227.352 0.537 10 0 BCAERO CC[NH2+]CC(=O)N1CCc2ncccc2C1 ZINC000044649347 170109131 /nfs/dbraw/zinc/10/91/31/170109131.db2.gz QVPRBENNRZCMGR-UHFFFAOYSA-N 1 0 219.288 0.576 10 0 BCAERO CC[NH2+]CC(=O)N1CCN2CCCC[C@H]2C1 ZINC000044650278 170109337 /nfs/dbraw/zinc/10/93/37/170109337.db2.gz NSVDKHZQGLOQOC-NSHDSACASA-N 1 0 225.336 0.293 10 0 BCAERO CC[NH2+]C1C[C@H]2CC[C@@H](C1)N2CC(=O)NC ZINC000054627984 170109801 /nfs/dbraw/zinc/10/98/01/170109801.db2.gz SYXNUXRLIXITBA-FGWVZKOKSA-N 1 0 225.336 0.337 10 0 BCAERO CC[NH2+]CCC(=O)N(CC)[C@H](C)COC ZINC000061295267 170111759 /nfs/dbraw/zinc/11/17/59/170111759.db2.gz UCILCUJFJSOOGY-SNVBAGLBSA-N 1 0 216.325 0.869 10 0 BCAERO CC[NH2+]CCC(=O)N1CCn2ccnc2C1 ZINC000062254488 170112077 /nfs/dbraw/zinc/11/20/77/170112077.db2.gz NCMZHSSJVAZZPR-UHFFFAOYSA-N 1 0 222.292 0.225 10 0 BCAERO CC[NH2+]C[C@@H](C)C(=O)N1CCSCC1 ZINC000061228643 170118887 /nfs/dbraw/zinc/11/88/87/170118887.db2.gz SZFXGKCLQKWFNA-SECBINFHSA-N 1 0 216.350 0.807 10 0 BCAERO CC[NH2+]C[C@@H](C)c1nnc2cnccn21 ZINC000061219770 170119339 /nfs/dbraw/zinc/11/93/39/170119339.db2.gz MXZDKBJSBOLHHW-MRVPVSSYSA-N 1 0 205.265 0.837 10 0 BCAERO CC[NH2+]C[C@@H]1CCCN1CCN1CCOCC1 ZINC000053648477 170119903 /nfs/dbraw/zinc/11/99/03/170119903.db2.gz MVSLVYGSJWYVPL-ZDUSSCGKSA-N 1 0 241.379 0.393 10 0 BCAERO CC[NH2+]C[C@@]1([C@H]2CCS(=O)(=O)C2)CCOC1 ZINC000054664223 170121254 /nfs/dbraw/zinc/12/12/54/170121254.db2.gz OYRILTORYKSIFQ-QWRGUYRKSA-N 1 0 247.360 0.437 10 0 BCAERO CC[NH2+]C[C@H](O)Cn1cnc2ccccc2c1=O ZINC000036950902 170123012 /nfs/dbraw/zinc/12/30/12/170123012.db2.gz MNYIVCSDKINXOB-JTQLQIEISA-N 1 0 247.298 0.367 10 0 BCAERO CC[NH2+]Cc1nnnn1-c1ccccc1COC ZINC000054762681 170132088 /nfs/dbraw/zinc/13/20/88/170132088.db2.gz UPYXRTPIBNYHJB-UHFFFAOYSA-N 1 0 247.302 0.918 10 0 BCAERO CC[NH2+][C@@H]1CCN(C[C@@H]2CCOC2)C1=O ZINC000061146773 170151853 /nfs/dbraw/zinc/15/18/53/170151853.db2.gz OTPZCMDNHQEIJY-VHSXEESVSA-N 1 0 212.293 0.233 10 0 BCAERO CC[NH2+][C@@H]1CCN(Cc2ccco2)C1=O ZINC000049647597 170152185 /nfs/dbraw/zinc/15/21/85/170152185.db2.gz WFBUCGKLHSIDEE-SNVBAGLBSA-N 1 0 208.261 0.990 10 0 BCAERO CC[NH2+][C@@H]1CCN(c2cnn(CCOC)c2)C1 ZINC000049545652 170152867 /nfs/dbraw/zinc/15/28/67/170152867.db2.gz VTCCTLOQBQPOQV-LLVKDONJSA-N 1 0 238.335 0.718 10 0 BCAERO CC[NH2+][C@H](C)CC(=O)N1CCOCC1 ZINC000058100124 170156877 /nfs/dbraw/zinc/15/68/77/170156877.db2.gz RNIVNMJKQAVYEK-SECBINFHSA-N 1 0 200.282 0.233 10 0 BCAERO CCN[C@H](CC[NH+]1C[C@@H](C)C[C@H](C)C1)C(N)=O ZINC000062439401 170161647 /nfs/dbraw/zinc/16/16/47/170161647.db2.gz JTUXEBBWONDJIG-SDDRHHMPSA-N 1 0 241.379 0.818 10 0 BCAERO CC[NH2+][C@H](CC)[C@H]1CCS(=O)(=O)C1 ZINC000043300856 170161703 /nfs/dbraw/zinc/16/17/03/170161703.db2.gz CIRBBQWMGHIWPV-DTWKUNHWSA-N 1 0 205.323 0.809 10 0 BCAERO CC[NH2+][C@H]1CCN(C[C@H]2CCOC2)C1=O ZINC000061146776 170167715 /nfs/dbraw/zinc/16/77/15/170167715.db2.gz OTPZCMDNHQEIJY-ZJUUUORDSA-N 1 0 212.293 0.233 10 0 BCAERO CC[NH2+][C@H]1CCOC[C@@H]1N1CCCOCC1 ZINC000061917891 170168862 /nfs/dbraw/zinc/16/88/62/170168862.db2.gz MQLIVUVPSGKWBU-RYUDHWBXSA-N 1 0 228.336 0.476 10 0 BCAERO CC[NH2+][C@](C)(CN1CC[C@H]([NH+](C)C)C1)C(=O)[O-] ZINC000062968748 170170364 /nfs/dbraw/zinc/17/03/64/170170364.db2.gz PDRABSPPBPFNPM-CMPLNLGQSA-N 1 0 243.351 0.075 10 0 BCAERO CCNc1ccnc(O[C@@H]2CC[NH2+]C2)n1 ZINC000238266387 170175257 /nfs/dbraw/zinc/17/52/57/170175257.db2.gz LBGLFZRMRGHWPA-MRVPVSSYSA-N 1 0 208.265 0.649 10 0 BCAERO CCOC(=O)C1(C(=O)OCC)CC[NH2+]CC1 ZINC000090463572 170189655 /nfs/dbraw/zinc/18/96/55/170189655.db2.gz CQMZUNWMFJLKNY-UHFFFAOYSA-N 1 0 229.276 0.482 10 0 BCAERO CCOC(=O)C1CCC([NH2+]CC(=O)NC)CC1 ZINC000310159976 170192073 /nfs/dbraw/zinc/19/20/73/170192073.db2.gz PQYNMSLZINVALA-UHFFFAOYSA-N 1 0 242.319 0.444 10 0 BCAERO CCOC(=O)CCN1C[C@H](C)[C@H]([NH+](C)C)C1 ZINC000124416659 170207607 /nfs/dbraw/zinc/20/76/07/170207607.db2.gz ZJPJELAUWHHDSO-WDEREUQCSA-N 1 0 228.336 0.822 10 0 BCAERO CCOC(=O)CC[N@@H+]1C[C@H](OC)C[C@H]1CO ZINC000344734783 170207672 /nfs/dbraw/zinc/20/76/72/170207672.db2.gz XLTJHVKUYVRJGP-VHSXEESVSA-N 1 0 231.292 0.021 10 0 BCAERO CCOC(=O)CN(C(=O)[C@@H]([NH3+])C(C)C)C(C)C ZINC000038101188 170212534 /nfs/dbraw/zinc/21/25/34/170212534.db2.gz JGSAVAJUMYQIIO-NSHDSACASA-N 1 0 244.335 0.770 10 0 BCAERO CCOC(=O)CN(C(=O)C[NH2+]C(C)C)C(C)C ZINC000038101231 170212676 /nfs/dbraw/zinc/21/26/76/170212676.db2.gz QENAJASMROHESI-UHFFFAOYSA-N 1 0 244.335 0.785 10 0 BCAERO CCOC(=O)CNC(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000070502807 170223848 /nfs/dbraw/zinc/22/38/48/170223848.db2.gz KCXLCGVPWXVHRX-IUCAKERBSA-N 1 0 228.292 0.183 10 0 BCAERO O[C@@H](C[NH2+][C@@H]1CCOC1)COCc1ccco1 ZINC000131536063 411556916 /nfs/dbraw/zinc/55/69/16/411556916.db2.gz LYGKQLFNJWCQMQ-MNOVXSKESA-N 1 0 241.287 0.536 10 0 BCAERO CCOC(=O)N(CC[NH3+])C1CCOCC1 ZINC000253564282 170238274 /nfs/dbraw/zinc/23/82/74/170238274.db2.gz GIMYAFYBFQWMNJ-UHFFFAOYSA-N 1 0 216.281 0.583 10 0 BCAERO CCOC(=O)N1CCN(C[C@@H]2CCC[NH2+]2)CC1 ZINC000041285431 170239751 /nfs/dbraw/zinc/23/97/51/170239751.db2.gz XDPVYCVDYPGZFL-NSHDSACASA-N 1 0 241.335 0.513 10 0 BCAERO CCOC(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000020167849 170240197 /nfs/dbraw/zinc/24/01/97/170240197.db2.gz AGAZLAFUJJWFLL-UHFFFAOYSA-N 1 0 242.319 0.940 10 0 BCAERO CCOC(=O)N[C@@H](C[NH3+])c1cnn(C)c1 ZINC000020074858 170243482 /nfs/dbraw/zinc/24/34/82/170243482.db2.gz NDIXRLAIEJSIDP-QMMMGPOBSA-N 1 0 212.253 0.166 10 0 BCAERO CCOC(=O)[C@@H](N)CC[N@H+](C)C(C)C ZINC000062441751 170252248 /nfs/dbraw/zinc/25/22/48/170252248.db2.gz XSQPQLITMRSXPQ-VIFPVBQESA-N 1 0 202.298 0.607 10 0 BCAERO CCOC(=O)[C@@H](N)C[N@H+](C)[C@@H](C)CC ZINC000045381118 170252495 /nfs/dbraw/zinc/25/24/95/170252495.db2.gz PXRUIXZYLRVSLL-IUCAKERBSA-N 1 0 202.298 0.607 10 0 BCAERO CCOC(=O)[C@@H]1C[NH2+]C[C@@H]1C(F)(F)F ZINC000038343248 170259192 /nfs/dbraw/zinc/25/91/92/170259192.db2.gz IVCFRARIWGMGRC-RITPCOANSA-N 1 0 211.183 0.947 10 0 BCAERO CCOC(=O)[C@H](C)NC[C@@H](O)C[NH+](CC)CC ZINC000049373095 170267900 /nfs/dbraw/zinc/26/79/00/170267900.db2.gz CCIUZMRLKPFQGB-WDEREUQCSA-N 1 0 246.351 0.230 10 0 BCAERO CCOC(=O)c1ccc(C[C@H]([NH3+])CO)cc1 ZINC000021994720 170295066 /nfs/dbraw/zinc/29/50/66/170295066.db2.gz VJIWQOFFALAANL-NSHDSACASA-N 1 0 223.272 0.725 10 0 BCAERO CCOCC(=O)N1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000051358486 170340393 /nfs/dbraw/zinc/34/03/93/170340393.db2.gz UEDJWRMYEKHUSF-WDEREUQCSA-N 1 0 226.320 0.766 10 0 BCAERO CCOCC(=O)N1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040749594 170342578 /nfs/dbraw/zinc/34/25/78/170342578.db2.gz ATUMOAOLYBOAIC-PBINXNQUSA-N 1 0 212.293 0.504 10 0 BCAERO CCOCC(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000061883515 170346540 /nfs/dbraw/zinc/34/65/40/170346540.db2.gz ARPIZGPVCQNQQE-DTWKUNHWSA-N 1 0 200.282 0.267 10 0 BCAERO CCOCCCN1C[C@@H](C[NH3+])OC(C)(C)C1 ZINC000011886679 170374613 /nfs/dbraw/zinc/37/46/13/170374613.db2.gz FCXBVFOTDAWDCR-LLVKDONJSA-N 1 0 230.352 0.851 10 0 BCAERO CCOCCCNC(=O)[C@H]([NH3+])C(C)(C)C ZINC000083348716 170378731 /nfs/dbraw/zinc/37/87/31/170378731.db2.gz LKDUSIFLAGLJRN-VIFPVBQESA-N 1 0 216.325 0.903 10 0 BCAERO CCOCCN(C)CC[NH2+]CCOC ZINC000042428052 170388618 /nfs/dbraw/zinc/38/86/18/170388618.db2.gz IVQJOXPWUSYDSL-UHFFFAOYSA-N 1 0 204.314 0.191 10 0 BCAERO CCOCC[N@H+](C)C[C@@H](C)C(N)=S ZINC000042457314 170390834 /nfs/dbraw/zinc/39/08/34/170390834.db2.gz ZRRYGSBWGUBFPM-MRVPVSSYSA-N 1 0 204.339 0.877 10 0 BCAERO CCOCC[NH2+][C@@H]1CCC(=O)N[C@@H]1C ZINC000336646488 170413661 /nfs/dbraw/zinc/41/36/61/170413661.db2.gz CZXFJVUJYJJQEQ-RKDXNWHRSA-N 1 0 200.282 0.280 10 0 BCAERO CC[N@@H+]1CC[C@H](Nc2cc(C#N)cnn2)C1 ZINC000396967896 411635929 /nfs/dbraw/zinc/63/59/29/411635929.db2.gz XYYLHRFBVIYQSL-JTQLQIEISA-N 1 0 217.276 0.854 10 0 BCAERO CC[N@@H+]1CC[C@H](Nc2ccc(C#N)nn2)C1 ZINC000397021493 411636036 /nfs/dbraw/zinc/63/60/36/411636036.db2.gz SLBGMRGSGQEXDK-JTQLQIEISA-N 1 0 217.276 0.854 10 0 BCAERO CCOCCOC[C@@H](O)C[NH2+]C[C@@H]1CCOC1 ZINC000038094408 170419640 /nfs/dbraw/zinc/41/96/40/170419640.db2.gz SQAYHMZSCGEWQY-RYUDHWBXSA-N 1 0 247.335 0.027 10 0 BCAERO COCC(C)(C)C[NH2+]C[C@H]1CC(=O)N(C)C1 ZINC000657694288 411580852 /nfs/dbraw/zinc/58/08/52/411580852.db2.gz BZDCFPPZDMEHGK-SNVBAGLBSA-N 1 0 228.336 0.727 10 0 BCAERO Cc1nocc1C[NH2+]C[C@H]1CC(=O)N(C)C1 ZINC000657695457 411581324 /nfs/dbraw/zinc/58/13/24/411581324.db2.gz MGMJILZHEZDONH-SECBINFHSA-N 1 0 223.276 0.551 10 0 BCAERO CN1C[C@H](C[NH2+]Cc2ccncc2)CC1=O ZINC000657695196 411581433 /nfs/dbraw/zinc/58/14/33/411581433.db2.gz VPBDGARKQFWUDE-NSHDSACASA-N 1 0 219.288 0.650 10 0 BCAERO Cc1cnccc1C[NH2+]C[C@H]1CC(=O)N(C)C1 ZINC000657697571 411581843 /nfs/dbraw/zinc/58/18/43/411581843.db2.gz UEOASAGKCRLQNG-LLVKDONJSA-N 1 0 233.315 0.958 10 0 BCAERO OCC1CC([NH2+]Cc2cnc3n2CCC3)C1 ZINC000657810441 411602909 /nfs/dbraw/zinc/60/29/09/411602909.db2.gz BQUGYVIMTMVWSO-UHFFFAOYSA-N 1 0 221.304 0.690 10 0 BCAERO NC(=O)c1cccc(C[NH2+]C2CC(CO)C2)c1 ZINC000657812319 411603381 /nfs/dbraw/zinc/60/33/81/411603381.db2.gz HVFBKRGYZYQISQ-UHFFFAOYSA-N 1 0 234.299 0.646 10 0 BCAERO CCO[C@@H]1C[C@@H]1C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000236852303 170485336 /nfs/dbraw/zinc/48/53/36/170485336.db2.gz MOSSQNYKIUPGJC-OUAUKWLOSA-N 1 0 226.320 0.751 10 0 BCAERO Cc1cc2c(NCCOCCC[NH3+])nccn2n1 ZINC000630535866 411663186 /nfs/dbraw/zinc/66/31/86/411663186.db2.gz GUASLWCAQJUNGM-UHFFFAOYSA-N 1 0 249.318 0.815 10 0 BCAERO CCc1noc(CN2CCC[C@H]2C[NH3+])n1 ZINC000133236575 411667021 /nfs/dbraw/zinc/66/70/21/411667021.db2.gz MQVGFGJQIHEASJ-QMMMGPOBSA-N 1 0 210.281 0.555 10 0 BCAERO O=C([C@H]1CCC[NH2+]1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000133255284 411683444 /nfs/dbraw/zinc/68/34/44/411683444.db2.gz BRRJSUWOBJZXFY-GRYCIOLGSA-N 1 0 238.331 0.908 10 0 BCAERO CCOc1nccnc1N[C@@H](C)CCC[NH3+] ZINC000576615658 411719766 /nfs/dbraw/zinc/71/97/66/411719766.db2.gz WEILJCSIVUGGOF-VIFPVBQESA-N 1 0 224.308 1.415 10 0 BCAERO CCOc1nccnc1N[C@H]1CCC[NH2+][C@H]1C ZINC000643035042 411720227 /nfs/dbraw/zinc/72/02/27/411720227.db2.gz QXRJAKYYHKNEIV-UWVGGRQHSA-N 1 0 236.319 1.428 10 0 BCAERO CCOc1nccnc1NC[C@@H](C)[NH2+]C ZINC000643038482 411721063 /nfs/dbraw/zinc/72/10/63/411721063.db2.gz HKUDNQBEJPMCDE-MRVPVSSYSA-N 1 0 210.281 0.895 10 0 BCAERO Cc1nnc(N[C@@H](CC[NH3+])C(F)F)s1 ZINC000383475492 411799367 /nfs/dbraw/zinc/79/93/67/411799367.db2.gz NDJLPWFMTLUBOW-YFKPBYRVSA-N 1 0 222.264 1.241 10 0 BCAERO Cc1nnc2c(N[C@@H]3CC[NH2+][C@H]3C)nccn12 ZINC000630545625 411804234 /nfs/dbraw/zinc/80/42/34/411804234.db2.gz LREUZHWWDRVAFX-IONNQARKSA-N 1 0 232.291 0.595 10 0 BCAERO OC[C@H]1COCC[N@@H+]1C[C@H]1CCCOC1 ZINC000661564958 411804548 /nfs/dbraw/zinc/80/45/48/411804548.db2.gz KZIJABDNKWCNMB-MNOVXSKESA-N 1 0 215.293 0.106 10 0 BCAERO Cc1nnc2c(N[C@H](C)[C@@H](C)[NH3+])nccn12 ZINC000381627060 411804677 /nfs/dbraw/zinc/80/46/77/411804677.db2.gz UMWPDEOVNMTKHG-RNFRBKRXSA-N 1 0 220.280 0.580 10 0 BCAERO C[C@@H](Nc1ccc(C#N)nn1)[C@H]1CCC[NH2+]C1 ZINC000396900209 411830087 /nfs/dbraw/zinc/83/00/87/411830087.db2.gz XDRMFOFZPQXMLT-ZJUUUORDSA-N 1 0 231.303 1.148 10 0 BCAERO CC[C@@H](C)[NH2+]CC(=O)N(C)C[C@H](C)C(=O)OC ZINC000037823543 170750746 /nfs/dbraw/zinc/75/07/46/170750746.db2.gz MYUBETHCOBPYJP-VHSXEESVSA-N 1 0 244.335 0.642 10 0 BCAERO CC[N@@H+]1CCN[C@@H](c2ccc(N)nc2)C1 ZINC000616632479 411857729 /nfs/dbraw/zinc/85/77/29/411857729.db2.gz RPFZTWZWHDQQED-SNVBAGLBSA-N 1 0 206.293 0.630 10 0 BCAERO CC[N@@H+]1CCO[C@H](c2cc(N)n[nH]2)CC1 ZINC000616686459 411858386 /nfs/dbraw/zinc/85/83/86/411858386.db2.gz LAOXBFVFCQFLPB-VIFPVBQESA-N 1 0 210.281 0.775 10 0 BCAERO CC[N@@H+]1CCOC[C@@H](n2ccc(N)n2)C1 ZINC000616659589 411858570 /nfs/dbraw/zinc/85/85/70/411858570.db2.gz BYNMHUVURCKJIL-VIFPVBQESA-N 1 0 210.281 0.359 10 0 BCAERO CCN1CC[NH2+]C[C@H]1c1ccnc(N)c1 ZINC000616637823 411858769 /nfs/dbraw/zinc/85/87/69/411858769.db2.gz RALBEXUAFRTXDH-JTQLQIEISA-N 1 0 206.293 0.630 10 0 BCAERO C[C@H](C(=O)NC[C@H]1C[NH2+]C[C@H]1O)C(C)(C)C ZINC000262348068 487620920 /nfs/dbraw/zinc/62/09/20/487620920.db2.gz UFQDSCLZQNVVON-OPRDCNLKSA-N 1 0 228.336 0.365 10 0 BCAERO CC[C@@H](C[NH3+])CC(=O)N1CCN(C)CC1 ZINC000076608140 170821781 /nfs/dbraw/zinc/82/17/81/170821781.db2.gz QLHWCOBLAWPTBZ-SNVBAGLBSA-N 1 0 213.325 0.135 10 0 BCAERO C[C@H]1C[C@@H](O)C[N@H+](Cc2ccnc(N)c2)C1 ZINC000401925476 411932778 /nfs/dbraw/zinc/93/27/78/411932778.db2.gz YVRMXPXRNYYSRM-GXSJLCMTSA-N 1 0 221.304 0.867 10 0 BCAERO Nc1nc2c(ncn2[C@@H]2CC[NH2+]C2)c(Cl)n1 ZINC000575434367 411938599 /nfs/dbraw/zinc/93/85/99/411938599.db2.gz RSLCRRJDVFDZOC-RXMQYKEDSA-N 1 0 238.682 0.596 10 0 BCAERO CC(C)N1CC[NH2+]C[C@@H]1c1cc(N)n[nH]1 ZINC000616636818 411871448 /nfs/dbraw/zinc/87/14/48/411871448.db2.gz DLYCHFKVOODTNX-SECBINFHSA-N 1 0 209.297 0.347 10 0 BCAERO CC[C@@H]([NH3+])c1ccc(OCC(N)=O)cc1 ZINC000022167650 170870320 /nfs/dbraw/zinc/87/03/20/170870320.db2.gz XXSRYMJGSSHORT-SNVBAGLBSA-N 1 0 208.261 0.961 10 0 BCAERO Nc1ccc(C(=O)N2CCC[C@@H]2C[NH3+])cn1 ZINC000637858079 411977050 /nfs/dbraw/zinc/97/70/50/411977050.db2.gz UZABKIQCQRBJSI-SECBINFHSA-N 1 0 220.276 0.227 10 0 BCAERO C[C@@H]1C[N@H+](CC2(O)CCC2)C[C@]1(C)CO ZINC000662144173 412006604 /nfs/dbraw/zinc/00/66/04/412006604.db2.gz UREFGPYUQGOGHD-GHMZBOCLSA-N 1 0 213.321 0.852 10 0 BCAERO Cc1noc2ncnc(NC[C@@H]3CC[NH2+]C3)c12 ZINC000133779791 411946709 /nfs/dbraw/zinc/94/67/09/411946709.db2.gz RORXCDDKPBCOBX-MRVPVSSYSA-N 1 0 233.275 0.948 10 0 BCAERO Nc1cc([C@H]2CCCC[N@@H+]2CCO)[nH]n1 ZINC000616613876 411950251 /nfs/dbraw/zinc/95/02/51/411950251.db2.gz CRZZWUOJCSJVCC-SECBINFHSA-N 1 0 210.281 0.511 10 0 BCAERO Nc1ccc([C@H]2C[N@H+](CCO)CCCO2)cn1 ZINC000616597298 411961107 /nfs/dbraw/zinc/96/11/07/411961107.db2.gz CZIFBFKSFUAWFC-LLVKDONJSA-N 1 0 237.303 0.420 10 0 BCAERO Brc1ccc(NC2C[NH2+]C2)nn1 ZINC000575589281 412036874 /nfs/dbraw/zinc/03/68/74/412036874.db2.gz VESNPQXLZPFZKW-UHFFFAOYSA-N 1 0 229.081 0.623 10 0 BCAERO CC[C@@H]1CC[C@@H](C)N1C(=O)[C@H]([NH3+])COC ZINC000136144749 171036448 /nfs/dbraw/zinc/03/64/48/171036448.db2.gz QOLWBNNHDDOBHR-OPRDCNLKSA-N 1 0 214.309 0.750 10 0 BCAERO CC[C@@H]1CN(C(=O)C2([NH3+])CCOCC2)CCO1 ZINC000127752591 171061646 /nfs/dbraw/zinc/06/16/46/171061646.db2.gz CGQFRVPNFVCYMX-SNVBAGLBSA-N 1 0 242.319 0.132 10 0 BCAERO CC[C@@H]1CN(C(=O)N2CC[NH2+]CC2)CCO1 ZINC000036769572 171065090 /nfs/dbraw/zinc/06/50/90/171065090.db2.gz JQHHADFLIYOSLQ-SNVBAGLBSA-N 1 0 227.308 0.122 10 0 BCAERO CC[C@@H]1CN(CCCn2ccnc2)CC[NH2+]1 ZINC000082925200 171081685 /nfs/dbraw/zinc/08/16/85/171081685.db2.gz XIESHEKFIDBOQZ-GFCCVEGCSA-N 1 0 222.336 0.957 10 0 BCAERO CC[C@@H]1CN(C[C@]2(C[NH3+])CCCOC2)CCO1 ZINC000104321344 171085590 /nfs/dbraw/zinc/08/55/90/171085590.db2.gz JKPROBHTOJZEPN-CHWSQXEVSA-N 1 0 242.363 0.853 10 0 BCAERO CC[C@@H]1C[NH2+]CCN1CCN1CCOCC1 ZINC000082476539 171100812 /nfs/dbraw/zinc/10/08/12/171100812.db2.gz GJYBDXSRKBJHLI-GFCCVEGCSA-N 1 0 227.352 0.002 10 0 BCAERO CC[C@@H]1COCCN1C(=O)C1(C[NH3+])CC1 ZINC000082641902 171103568 /nfs/dbraw/zinc/10/35/68/171103568.db2.gz PITLNASKFRBLCJ-SECBINFHSA-N 1 0 212.293 0.363 10 0 BCAERO CC[C@@H]1COCCN1C[C@]1(C[NH3+])CCOC1 ZINC000051248518 171105097 /nfs/dbraw/zinc/10/50/97/171105097.db2.gz INMCFHIMUSPNFQ-VXGBXAGGSA-N 1 0 228.336 0.463 10 0 BCAERO CC[C@@](C)(CO)[NH2+]Cc1cnn(C)c1C ZINC000086552134 171171304 /nfs/dbraw/zinc/17/13/04/171171304.db2.gz AZRDIIQZERIVJB-NSHDSACASA-N 1 0 211.309 0.979 10 0 BCAERO CC[C@H](C(=O)OC)N1C[C@@H](C)[C@H]([NH+](C)C)C1 ZINC000358815834 171241847 /nfs/dbraw/zinc/24/18/47/171241847.db2.gz JREIVKDMEHWUKG-GMTAPVOTSA-N 1 0 228.336 0.820 10 0 BCAERO CC[C@H](C(N)=O)[N@H+](C)CCCC(=O)OC ZINC000061678748 171242761 /nfs/dbraw/zinc/24/27/61/171242761.db2.gz JWBDMDAQWAFOHQ-MRVPVSSYSA-N 1 0 216.281 0.135 10 0 BCAERO CC[C@H](C[NH3+])N1CCN(C(=O)[C@@H](C)CC)CC1 ZINC000104053842 171248482 /nfs/dbraw/zinc/24/84/82/171248482.db2.gz DVMPTXAYLHOUSH-NWDGAFQWSA-N 1 0 241.379 0.914 10 0 BCAERO CC[C@H](C)N(C)C(=O)[C@H](C)N1CC[NH2+]CC1 ZINC000037110775 171303493 /nfs/dbraw/zinc/30/34/93/171303493.db2.gz OBTCVNBPDJKPQH-QWRGUYRKSA-N 1 0 227.352 0.537 10 0 BCAERO CC[C@H](C)N(C)S(=O)(=O)C1CC[NH2+]CC1 ZINC000049642988 171309452 /nfs/dbraw/zinc/30/94/52/171309452.db2.gz ZOLWSGOLWXTWTQ-VIFPVBQESA-N 1 0 234.365 0.799 10 0 BCAERO CC[C@H](C)N(CC)C(=O)CN1CCC[NH2+]CC1 ZINC000061269474 171311993 /nfs/dbraw/zinc/31/19/93/171311993.db2.gz MCQDDEDRILNGFB-LBPRGKRZSA-N 1 0 241.379 0.929 10 0 BCAERO CC[C@H](C)[NH+]1CCN(C[C@@H]([NH2+]C)C(=O)[O-])CC1 ZINC000055070356 171319064 /nfs/dbraw/zinc/31/90/64/171319064.db2.gz UUYBNJMGXQMQPZ-WDEREUQCSA-N 1 0 243.351 0.075 10 0 BCAERO CC[C@H](C)NC(=O)CC[NH2+][C@@H](C)C(=O)NC ZINC000038014658 171322359 /nfs/dbraw/zinc/32/23/59/171322359.db2.gz MREDBEXXVKETCF-IUCAKERBSA-N 1 0 229.324 0.015 10 0 BCAERO CC[C@H](C)NC(=O)CC[NH2+]C[C@@H](C)C(N)=O ZINC000038014502 171322645 /nfs/dbraw/zinc/32/26/45/171322645.db2.gz PTHMPJBTJHHYEK-BDAKNGLRSA-N 1 0 229.324 0.002 10 0 BCAERO CC[C@H](C)NC(=O)CC[NH2+][C@@H]1CCC[C@@H]1O ZINC000038014556 171322711 /nfs/dbraw/zinc/32/27/11/171322711.db2.gz ZYPJPZSABFQNLB-AXFHLTTASA-N 1 0 228.336 0.794 10 0 BCAERO CC[C@H](C)NC(=O)CN1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000224847503 171325918 /nfs/dbraw/zinc/32/59/18/171325918.db2.gz UWUQVRBXUXSBFQ-GRYCIOLGSA-N 1 0 241.379 0.960 10 0 BCAERO CC[C@H](C)[NH2+]CC(=O)N1CCC[C@@H]1C(=O)OC ZINC000037804275 171339746 /nfs/dbraw/zinc/33/97/46/171339746.db2.gz SHMCBQDSSRTNMD-VHSXEESVSA-N 1 0 242.319 0.539 10 0 BCAERO Cc1nocc1CN1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC000662287358 412079160 /nfs/dbraw/zinc/07/91/60/412079160.db2.gz ZIPJJNXBBRTXJP-NEPJUHHUSA-N 1 0 237.303 0.546 10 0 BCAERO CC[C@H](C)[NH2+][C@@H](C(N)=O)c1c(C)nn(C)c1C ZINC000038065105 171344942 /nfs/dbraw/zinc/34/49/42/171344942.db2.gz KKVSRWWFRULUNY-WRWORJQWSA-N 1 0 238.335 0.951 10 0 BCAERO CC[C@H](C)[NH2+][C@H]1CC(=O)N(C(C)C)C1=O ZINC000036850873 171348495 /nfs/dbraw/zinc/34/84/95/171348495.db2.gz OHDVPOLUDXJNQX-IUCAKERBSA-N 1 0 212.293 0.910 10 0 BCAERO CC[C@H](C)[C@@H]([NH3+])C(=O)NC1=NCCS1 ZINC000237057191 171369312 /nfs/dbraw/zinc/36/93/12/171369312.db2.gz DFJHDFNRQWXLKA-NKWVEPMBSA-N 1 0 215.322 0.579 10 0 BCAERO CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@H](O)C1CC1 ZINC000070890278 171371622 /nfs/dbraw/zinc/37/16/22/171371622.db2.gz ZSSRILBODFVCOH-UJNFCWOMSA-N 1 0 214.309 0.247 10 0 BCAERO CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1cccn(C)c1=O ZINC000236901950 171372733 /nfs/dbraw/zinc/37/27/33/171372733.db2.gz PPHQMVCTMCKRCD-WCBMZHEXSA-N 1 0 237.303 0.697 10 0 BCAERO CC[C@H](C)[C@H]([NH3+])C(=O)N1CCC(O)CC1 ZINC000019506276 171394194 /nfs/dbraw/zinc/39/41/94/171394194.db2.gz DCUMODJLLUODGW-WPRPVWTQSA-N 1 0 214.309 0.343 10 0 BCAERO CC[C@H](C)[C@H]([NH3+])C(=O)N1CCNC(=O)[C@H]1CC ZINC000104144002 171394672 /nfs/dbraw/zinc/39/46/72/171394672.db2.gz UWANQXSDGJJHLW-AEJSXWLSSA-N 1 0 241.335 0.097 10 0 BCAERO CC[C@H](C)[C@H]([NH3+])C(=O)N[C@H](C(=O)OC)C(C)C ZINC000037028541 171395314 /nfs/dbraw/zinc/39/53/14/171395314.db2.gz FLJWXGYLAKEICP-GUBZILKMSA-N 1 0 244.335 0.674 10 0 BCAERO CC[C@H](C)[C@H]([NH3+])C(=O)NCc1c[nH]nc1C ZINC000038012109 171395469 /nfs/dbraw/zinc/39/54/69/171395469.db2.gz BGWSJJQJYQOSJE-XVKPBYJWSA-N 1 0 224.308 0.708 10 0 BCAERO CC[C@@H]([NH2+]C)C(=O)N(C)C[C@H]1CCCO1 ZINC000662438373 412175082 /nfs/dbraw/zinc/17/50/82/412175082.db2.gz PCBJDZVQDXWOLH-NXEZZACHSA-N 1 0 214.309 0.622 10 0 BCAERO CC[C@H]([NH2+]C)C(=O)NC[C@H]1CCCC[C@H]1O ZINC000662490014 412190872 /nfs/dbraw/zinc/19/08/72/412190872.db2.gz ZRMRYGCOVYBMBL-OUAUKWLOSA-N 1 0 228.336 0.652 10 0 BCAERO [NH3+][C@H]1C[C@H](C(=O)N[C@@H]2CCC[C@H](O)C2)C1 ZINC000662495500 412195824 /nfs/dbraw/zinc/19/58/24/412195824.db2.gz MELOCFHBQVASIY-KYXWUPHJSA-N 1 0 212.293 0.143 10 0 BCAERO CN(C)c1nccc(N[C@H]2CC[C@H](C[NH3+])C2)n1 ZINC000382408879 412201514 /nfs/dbraw/zinc/20/15/14/412201514.db2.gz CNSBVZUKQDLONI-UWVGGRQHSA-N 1 0 235.335 1.082 10 0 BCAERO CC[C@H](NC(=O)[C@H](C)N1CC[NH2+]CC1)C(C)C ZINC000042594568 171507018 /nfs/dbraw/zinc/50/70/18/171507018.db2.gz KBETYPMLSAPTFP-RYUDHWBXSA-N 1 0 241.379 0.831 10 0 BCAERO [NH3+][C@H]1C[C@H](C(=O)NC[C@@H]2CCC[C@@H]2O)C1 ZINC000662549325 412212398 /nfs/dbraw/zinc/21/23/98/412212398.db2.gz QXOKMCQZQZRSAF-XKNYDFJKSA-N 1 0 212.293 0.001 10 0 BCAERO CC[C@H]([NH2+]C)C(=O)N1CCN2CCCC[C@@H]2C1 ZINC000662418767 412160457 /nfs/dbraw/zinc/16/04/57/412160457.db2.gz TZHRZIBVHOHCBQ-NEPJUHHUSA-N 1 0 239.363 0.681 10 0 BCAERO C[C@@H]1[NH2+]CC[C@H]1Nc1nccn2cnnc12 ZINC000630544401 412164194 /nfs/dbraw/zinc/16/41/94/412164194.db2.gz HOGGSZOZNJGYFM-JGVFFNPUSA-N 1 0 218.264 0.287 10 0 BCAERO CC[C@H]([NH2+][C@H]1CC(=O)N(C)C1=O)C(C)C ZINC000104790635 171547775 /nfs/dbraw/zinc/54/77/75/171547775.db2.gz OAKHNJOMSDVKBU-IUCAKERBSA-N 1 0 212.293 0.768 10 0 BCAERO COC[C@H](CC[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1)OC ZINC000665235771 412173893 /nfs/dbraw/zinc/17/38/93/412173893.db2.gz ZRKRYBUZCBIHTG-TUAOUCFPSA-N 1 0 230.352 0.626 10 0 BCAERO COC[C@H]([NH3+])C(=O)NCCC(C)(C)F ZINC000662662554 412262139 /nfs/dbraw/zinc/26/21/39/412262139.db2.gz GXYOJPYRXDAHKB-ZETCQYMHSA-N 1 0 206.261 0.215 10 0 BCAERO N#Cc1ccc(N[C@@H]2CCCC[C@@H]2C[NH3+])nn1 ZINC000396956692 412274424 /nfs/dbraw/zinc/27/44/24/412274424.db2.gz CIECNZSBPUOVNB-MWLCHTKSSA-N 1 0 231.303 1.278 10 0 BCAERO O=C(NCC1=CCCC1)[C@H]1C[C@H](F)C[NH2+]1 ZINC000662706743 412277611 /nfs/dbraw/zinc/27/76/11/412277611.db2.gz FOYZJKOJKUTPJE-VHSXEESVSA-N 1 0 212.268 0.913 10 0 BCAERO C[NH2+][C@H](C)C(=O)N1CC[C@@H]2COC[C@@H]2C1 ZINC000662710387 412278590 /nfs/dbraw/zinc/27/85/90/412278590.db2.gz IETUGABTOLUWGA-BBBLOLIVSA-N 1 0 212.293 0.089 10 0 BCAERO COC[C@H]([NH3+])C(=O)N1CCC[C@@H](C2CCC2)C1 ZINC000662712177 412279391 /nfs/dbraw/zinc/27/93/91/412279391.db2.gz DYIKEJXYHXPIGA-NEPJUHHUSA-N 1 0 240.347 0.999 10 0 BCAERO C[C@H](Nc1ccc(C#N)nn1)[C@H]1CCC[NH2+]C1 ZINC000396900040 412240919 /nfs/dbraw/zinc/24/09/19/412240919.db2.gz XDRMFOFZPQXMLT-UWVGGRQHSA-N 1 0 231.303 1.148 10 0 BCAERO [NH3+][C@H]1C[C@H](C(=O)NC[C@H]2CCCC[C@H]2O)C1 ZINC000662614924 412242067 /nfs/dbraw/zinc/24/20/67/412242067.db2.gz CCCWCBDDTIXUTB-GWOFURMSSA-N 1 0 226.320 0.391 10 0 BCAERO C[C@H]1CN(C(=O)c2c(Cl)cnn2C)C[C@H]1[NH3+] ZINC000662816431 412309136 /nfs/dbraw/zinc/30/91/36/412309136.db2.gz ZZZWCPDAPIVWPB-POYBYMJQSA-N 1 0 242.710 0.493 10 0 BCAERO COCC1(N(C)C(=O)C[C@H]([NH3+])C(C)C)CC1 ZINC000662850548 412321796 /nfs/dbraw/zinc/32/17/96/412321796.db2.gz PVMOWVNGVNVIOL-JTQLQIEISA-N 1 0 228.336 0.997 10 0 BCAERO CCn1ccc(NC(=O)[C@@H]2C[NH2+]CCOC2)n1 ZINC000662860640 412328217 /nfs/dbraw/zinc/32/82/17/412328217.db2.gz NWKLZFXYRLPKDY-SECBINFHSA-N 1 0 238.291 0.078 10 0 BCAERO O=C(CC[C@H]1CCC[NH2+]1)NC/C=C\CO ZINC000662859287 412328464 /nfs/dbraw/zinc/32/84/64/412328464.db2.gz MIGORMAPLVRDDH-JWXWKVPASA-N 1 0 212.293 0.183 10 0 BCAERO CC(F)(F)CNC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000662897098 412337319 /nfs/dbraw/zinc/33/73/19/412337319.db2.gz CPXKNUAMZFGPID-RQJHMYQMSA-N 1 0 206.236 0.885 10 0 BCAERO CCC([NH3+])(CC)CNc1ccc2nncn2n1 ZINC000420216869 412337987 /nfs/dbraw/zinc/33/79/87/412337987.db2.gz UIKMVEHJDVIRHW-UHFFFAOYSA-N 1 0 234.307 1.054 10 0 BCAERO O=C(NC1CC2(CCC2)C1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000662906272 412341265 /nfs/dbraw/zinc/34/12/65/412341265.db2.gz LKWGXKVGIMOKOR-NXEZZACHSA-N 1 0 224.304 0.158 10 0 BCAERO [NH3+]C1(C(=O)N2CC[C@@H]3C[C@@H]3C2)CCOCC1 ZINC000662915302 412344827 /nfs/dbraw/zinc/34/48/27/412344827.db2.gz XSEBLEVMIQJATH-NXEZZACHSA-N 1 0 224.304 0.363 10 0 BCAERO CC1(C)CC(NC(=O)[C@H]2C[NH2+]CCOC2)C1 ZINC000662947686 412351391 /nfs/dbraw/zinc/35/13/91/412351391.db2.gz VUIVVZAIWSMPSD-VIFPVBQESA-N 1 0 226.320 0.527 10 0 BCAERO CC1(C)CC(NC(=O)[C@H]2C[C@H](F)C[NH2+]2)C1 ZINC000662947189 412351543 /nfs/dbraw/zinc/35/15/43/412351543.db2.gz JBUSQCCSDFFVGB-IONNQARKSA-N 1 0 214.284 0.991 10 0 BCAERO CC[C@]1(C(=O)NCC(OC)OC)CCC[NH2+]C1 ZINC000062859330 171711404 /nfs/dbraw/zinc/71/14/04/171711404.db2.gz CAEGAMRTLASYDL-LBPRGKRZSA-N 1 0 244.335 0.501 10 0 BCAERO Cc1cn(C)nc1NC(=O)[C@]1(C)CCC[NH2+]1 ZINC000662970884 412360285 /nfs/dbraw/zinc/36/02/85/412360285.db2.gz RSULKXDORNMRNX-NSHDSACASA-N 1 0 222.292 0.809 10 0 BCAERO CN(C(=O)[C@H]1CCOC1)[C@H](C[NH3+])C(F)(F)F ZINC000662978673 412361367 /nfs/dbraw/zinc/36/13/67/412361367.db2.gz RBXIUAYGEURUPU-NKWVEPMBSA-N 1 0 240.225 0.371 10 0 BCAERO CCOCCC(=O)N(C)[C@H](C[NH3+])C(F)(F)F ZINC000662979366 412363036 /nfs/dbraw/zinc/36/30/36/412363036.db2.gz MFOOMOIRWCEOBN-SSDOTTSWSA-N 1 0 242.241 0.761 10 0 BCAERO COCCC(=O)N(C)[C@@H](C[NH3+])C(F)(F)F ZINC000662980148 412363263 /nfs/dbraw/zinc/36/32/63/412363263.db2.gz ODQOJLDWGOUZTN-LURJTMIESA-N 1 0 228.214 0.371 10 0 BCAERO CCOCCC(=O)N(C)[C@@H](C[NH3+])C(F)(F)F ZINC000662979368 412363268 /nfs/dbraw/zinc/36/32/68/412363268.db2.gz MFOOMOIRWCEOBN-ZETCQYMHSA-N 1 0 242.241 0.761 10 0 BCAERO C[NH2+]CCOCCNc1nccn2nc(C)cc12 ZINC000630527483 412291911 /nfs/dbraw/zinc/29/19/11/412291911.db2.gz NEAUKUXIFKZDAV-UHFFFAOYSA-N 1 0 249.318 0.686 10 0 BCAERO CC(C)[NH2+]CCCNc1ccc2nncn2n1 ZINC000574505316 412300561 /nfs/dbraw/zinc/30/05/61/412300561.db2.gz RKPUBIBZTVDBMJ-UHFFFAOYSA-N 1 0 234.307 0.924 10 0 BCAERO CC(C)[NH2+]CCCNc1ncc(F)cn1 ZINC000571541119 412300917 /nfs/dbraw/zinc/30/09/17/412300917.db2.gz QKKHOZFPCHQYCS-UHFFFAOYSA-N 1 0 212.272 1.416 10 0 BCAERO COCC[NH2+]CCNc1ncnc2[nH]ccc21 ZINC000420229686 412369368 /nfs/dbraw/zinc/36/93/68/412369368.db2.gz VTOHZNQHVKHDAJ-UHFFFAOYSA-N 1 0 235.291 0.606 10 0 BCAERO COCC[NH2+]CCNc1ncc(C)c(C)n1 ZINC000386386507 412369375 /nfs/dbraw/zinc/36/93/75/412369375.db2.gz AZRDSEHXKFISPJ-UHFFFAOYSA-N 1 0 224.308 0.741 10 0 BCAERO CC(C)(C[NH3+])C(=O)N[C@H]1CCC[C@@H](O)C1 ZINC000133048667 412393027 /nfs/dbraw/zinc/39/30/27/412393027.db2.gz QFFILIBSRPEOFC-DTWKUNHWSA-N 1 0 214.309 0.391 10 0 BCAERO CC(C)(C[NH3+])C(=O)N[C@@H]1CCC[C@@H](O)C1 ZINC000133048465 412393739 /nfs/dbraw/zinc/39/37/39/412393739.db2.gz QFFILIBSRPEOFC-RKDXNWHRSA-N 1 0 214.309 0.391 10 0 BCAERO Fc1cnc(NCC23CC(C2)C[NH2+]3)nc1 ZINC000663273417 412404396 /nfs/dbraw/zinc/40/43/96/412404396.db2.gz BJDYNOYNBRZPGC-UHFFFAOYSA-N 1 0 208.240 0.780 10 0 BCAERO c1nnc2c(NCC34CC(C3)C[NH2+]4)nccn12 ZINC000663273708 412404452 /nfs/dbraw/zinc/40/44/52/412404452.db2.gz FNJFERPZSPRPGY-UHFFFAOYSA-N 1 0 230.275 0.288 10 0 BCAERO CCc1nsc(NC[C@H]2C[NH2+]C[C@@H]2O)n1 ZINC000663273095 412404507 /nfs/dbraw/zinc/40/45/07/412404507.db2.gz WRJQBDVEUOVABA-RQJHMYQMSA-N 1 0 228.321 0.093 10 0 BCAERO C[NH2+]C[C@@H](C)Nc1ncnc2c1cnn2C ZINC000663278244 412407668 /nfs/dbraw/zinc/40/76/68/412407668.db2.gz FIELYAKFVCYTEN-SSDOTTSWSA-N 1 0 220.280 0.383 10 0 BCAERO C[NH2+]C[C@@H](C)Nc1ncccc1S(C)(=O)=O ZINC000663279332 412408423 /nfs/dbraw/zinc/40/84/23/412408423.db2.gz QFLPUQVUCJJWKI-MRVPVSSYSA-N 1 0 243.332 0.505 10 0 BCAERO CO[C@H](C[NH2+][C@@H]1CCNC1=O)C1CCCC1 ZINC000663305562 412413104 /nfs/dbraw/zinc/41/31/04/412413104.db2.gz JOFJIANOIOCJOY-GHMZBOCLSA-N 1 0 226.320 0.670 10 0 BCAERO CCc1nc2n(n1)C[C@@H]([NH2+]Cc1ncc[nH]1)CC2 ZINC000108879809 172015134 /nfs/dbraw/zinc/01/51/34/172015134.db2.gz XDBBUPDLMZPNAJ-VIFPVBQESA-N 1 0 246.318 0.668 10 0 BCAERO CCc1ncnc(N2CC[C@@H]([NH3+])C2)c1C ZINC000045954469 172030570 /nfs/dbraw/zinc/03/05/70/172030570.db2.gz IYKJGYXGCQFXRN-SECBINFHSA-N 1 0 206.293 0.885 10 0 BCAERO CCc1ncnc(N(C)[C@@H]2CC[NH2+]C2)c1F ZINC000234165013 172031124 /nfs/dbraw/zinc/03/11/24/172031124.db2.gz KGTQIBZAZYJYEX-MRVPVSSYSA-N 1 0 224.283 0.976 10 0 BCAERO CCc1ncnc(NC[C@@H]2C[NH2+]CCO2)c1F ZINC000234191121 172031649 /nfs/dbraw/zinc/03/16/49/172031649.db2.gz VGGDAKCTNKFAII-QMMMGPOBSA-N 1 0 240.282 0.578 10 0 BCAERO CCc1nn(-c2ccc(NN)[nH+]n2)c(CC)c1N ZINC000033865606 172038196 /nfs/dbraw/zinc/03/81/96/172038196.db2.gz BYOXIQDVBKBQCB-UHFFFAOYSA-N 1 0 247.306 0.655 10 0 BCAERO CCc1nnc(CN2CC[NH2+]CC2)s1 ZINC000071518557 172051165 /nfs/dbraw/zinc/05/11/65/172051165.db2.gz ITLGECUIBJGBFE-UHFFFAOYSA-N 1 0 212.322 0.506 10 0 BCAERO CCn1c(C)nnc1CN1CC[C@H]([NH3+])C1 ZINC000261555119 172139953 /nfs/dbraw/zinc/13/99/53/172139953.db2.gz USMNDMQGWZCMGE-VIFPVBQESA-N 1 0 209.297 0.139 10 0 BCAERO CCn1c(C)nnc1[C@@H]1C[C@H](OC)C[NH2+]1 ZINC000042030088 172141445 /nfs/dbraw/zinc/14/14/45/172141445.db2.gz VNXKEAICDRUKTI-IUCAKERBSA-N 1 0 210.281 0.656 10 0 BCAERO CCn1cc(CC2(O)CC[NH2+]CC2)cn1 ZINC000055189690 172157982 /nfs/dbraw/zinc/15/79/82/172157982.db2.gz VQPZVMTZYPODAG-UHFFFAOYSA-N 1 0 209.293 0.560 10 0 BCAERO CCn1cc(Cn2cc(C[NH3+])cn2)cn1 ZINC000054716791 172177421 /nfs/dbraw/zinc/17/74/21/172177421.db2.gz NPCZIJWHWLRCMP-UHFFFAOYSA-N 1 0 205.265 0.607 10 0 BCAERO CCn1cc(N)cc1C(=O)N[C@@H]1CC[N@H+](C)C1 ZINC000042543611 172177742 /nfs/dbraw/zinc/17/77/42/172177742.db2.gz SLEDGZGRMMFQJZ-SNVBAGLBSA-N 1 0 236.319 0.524 10 0 BCAERO CCn1ccnc(N2CCC[C@@H]2C[NH2+]C)c1=O ZINC000061776043 172210420 /nfs/dbraw/zinc/21/04/20/172210420.db2.gz RNOZXHIOPRKFSF-SNVBAGLBSA-N 1 0 236.319 0.451 10 0 BCAERO CCn1ccnc(N(C)CC(C)(C)C[NH3+])c1=O ZINC000093874574 172210469 /nfs/dbraw/zinc/21/04/69/172210469.db2.gz XXHWQJYOXPSOAH-UHFFFAOYSA-N 1 0 238.335 0.684 10 0 BCAERO CCn1ccnc(NC2CC([NH3+])C2)c1=O ZINC000061767403 172210508 /nfs/dbraw/zinc/21/05/08/172210508.db2.gz GIIIMMNCCFJQME-UHFFFAOYSA-N 1 0 208.265 0.165 10 0 BCAERO CCn1cccc1N1C[C@H](C[NH3+])OC1=O ZINC000039101343 172210722 /nfs/dbraw/zinc/21/07/22/172210722.db2.gz RFDCDXRMLQTRST-QMMMGPOBSA-N 1 0 209.249 0.792 10 0 BCAERO CCn1ccnc(N[C@H]2CCC[N@H+](C)C2)c1=O ZINC000061764421 172212261 /nfs/dbraw/zinc/21/22/61/172212261.db2.gz LYGSSTPXNRERHQ-JTQLQIEISA-N 1 0 236.319 0.769 10 0 BCAERO CCn1cc[nH+]c1N[C@H]1CCCNC1=O ZINC000050614318 172227087 /nfs/dbraw/zinc/22/70/87/172227087.db2.gz KSEVUDCCFRQWLG-QMMMGPOBSA-N 1 0 208.265 0.594 10 0 BCAERO CCn1cnnc1[C@H](C)N1CC[NH2+]CC1 ZINC000054497741 172240121 /nfs/dbraw/zinc/24/01/21/172240121.db2.gz XKDDNRASWKWTTE-VIFPVBQESA-N 1 0 209.297 0.264 10 0 BCAERO CN(C(=O)CCOc1ccccc1)C1C[NH2+]C1 ZINC000090289724 172305150 /nfs/dbraw/zinc/30/51/50/172305150.db2.gz ZMPSAKCGBQFBKK-UHFFFAOYSA-N 1 0 234.299 0.886 10 0 BCAERO CN(C(=O)C[NH3+])c1c(F)cccc1F ZINC000020262106 172307821 /nfs/dbraw/zinc/30/78/21/172307821.db2.gz MVLKFGOEQHAKDU-UHFFFAOYSA-N 1 0 200.188 0.886 10 0 BCAERO CN(C(=O)Cn1cccn1)[C@@H]1CCC[NH2+]C1 ZINC000037470117 172317016 /nfs/dbraw/zinc/31/70/16/172317016.db2.gz REYPMRWCIDFKJQ-SNVBAGLBSA-N 1 0 222.292 0.094 10 0 BCAERO CN(C(=O)[C@@H]1CC[NH2+]C1)[C@@H]1CCSC1 ZINC000062112737 172328911 /nfs/dbraw/zinc/32/89/11/172328911.db2.gz MDIINLQJYAEMAG-RKDXNWHRSA-N 1 0 214.334 0.560 10 0 BCAERO CN(C(=O)[C@@H]1CC[NH2+]C1)c1ccccn1 ZINC000062112547 172329294 /nfs/dbraw/zinc/32/92/94/172329294.db2.gz QNVGMZXUXHEQGM-SECBINFHSA-N 1 0 205.261 0.654 10 0 BCAERO CN(C(=O)c1ccc(Cl)o1)[C@@H]1C[NH2+]C[C@H]1O ZINC000036261004 172339789 /nfs/dbraw/zinc/33/97/89/172339789.db2.gz WPYYWRWERDKHNT-RNFRBKRXSA-N 1 0 244.678 0.338 10 0 BCAERO CN(C(=O)c1ccncc1)C(C)(C)C[NH3+] ZINC000098168215 172343975 /nfs/dbraw/zinc/34/39/75/172343975.db2.gz RMDVHYQHMGVRTP-UHFFFAOYSA-N 1 0 207.277 0.891 10 0 BCAERO CN(C(=O)c1ccnn1C)C1CC[NH2+]CC1 ZINC000036903166 172344480 /nfs/dbraw/zinc/34/44/80/172344480.db2.gz OAAQRGSFSCKGOA-UHFFFAOYSA-N 1 0 222.292 0.244 10 0 BCAERO CN(C(=O)c1cnc2ccccc2n1)C1C[NH2+]C1 ZINC000229887286 172346776 /nfs/dbraw/zinc/34/67/76/172346776.db2.gz URRWSTOCTBOAOV-UHFFFAOYSA-N 1 0 242.282 0.674 10 0 BCAERO CN(C)C(=O)CC[NH2+][C@H]1CN2CCC1CC2 ZINC000037751801 172360102 /nfs/dbraw/zinc/36/01/02/172360102.db2.gz YIXPMPOVEVITKU-NSHDSACASA-N 1 0 225.336 0.149 10 0 BCAERO CN(C)C(=O)CC[NH2+][C@@H]1CN2CCC1CC2 ZINC000037751800 172360897 /nfs/dbraw/zinc/36/08/97/172360897.db2.gz YIXPMPOVEVITKU-LLVKDONJSA-N 1 0 225.336 0.149 10 0 BCAERO CN(C)C(=O)CN(C)C(=O)C[C@@H]1CCCC[NH2+]1 ZINC000037271817 172362574 /nfs/dbraw/zinc/36/25/74/172362574.db2.gz ZQODOYRTKSICDA-JTQLQIEISA-N 1 0 241.335 0.065 10 0 BCAERO CN(C)C(=O)CN(C)C(=O)[C@H]1CCCC[C@H]1[NH3+] ZINC000055087149 172362632 /nfs/dbraw/zinc/36/26/32/172362632.db2.gz LZTKRLLPEVBXBN-VHSXEESVSA-N 1 0 241.335 0.051 10 0 BCAERO CN(C)C(=O)CN(C)[C@H](C[NH3+])c1ccccc1 ZINC000042899208 172364331 /nfs/dbraw/zinc/36/43/31/172364331.db2.gz HAXSCUFKCOFKSB-GFCCVEGCSA-N 1 0 235.331 0.706 10 0 BCAERO CN(C)C(=O)CN1[C@@H]2CCC[C@H]1CC([NH3+])C2 ZINC000054601951 172367079 /nfs/dbraw/zinc/36/70/79/172367079.db2.gz UDRJALFWUKLQQP-FGWVZKOKSA-N 1 0 225.336 0.419 10 0 BCAERO CN(C)C(=O)C[NH2+]CCc1ccccn1 ZINC000020049594 172369566 /nfs/dbraw/zinc/36/95/66/172369566.db2.gz QRHALWZJPNHHKY-UHFFFAOYSA-N 1 0 207.277 0.302 10 0 BCAERO CN(C)C(=O)C[NH2+]C[C@H]1CCCOC1 ZINC000038045955 172370683 /nfs/dbraw/zinc/37/06/83/172370683.db2.gz UVLGRKGRLOGDDC-SECBINFHSA-N 1 0 200.282 0.091 10 0 BCAERO CN(C)C(=O)NCc1cccc(C[NH3+])c1 ZINC000082640412 172381525 /nfs/dbraw/zinc/38/15/25/172381525.db2.gz QSKDCRAKSJLRHW-UHFFFAOYSA-N 1 0 207.277 0.917 10 0 BCAERO CN(C)C(=O)[C@H]1C[C@]2(CO1)CCC[NH2+]C2 ZINC000096074305 172387382 /nfs/dbraw/zinc/38/73/82/172387382.db2.gz RTCDDDJKNKFGGA-MWLCHTKSSA-N 1 0 212.293 0.233 10 0 BCAERO CN(C)C(=O)c1cc(N(C)CC[NH3+])ccn1 ZINC000054419510 172388680 /nfs/dbraw/zinc/38/86/80/172388680.db2.gz NHVLZIVAHUTGBT-UHFFFAOYSA-N 1 0 222.292 0.178 10 0 BCAERO CN(C)C(=O)c1ccc(CN2CC[NH2+]CC2)o1 ZINC000026471126 172389946 /nfs/dbraw/zinc/38/99/46/172389946.db2.gz UBCHZFMEUJQCBQ-UHFFFAOYSA-N 1 0 237.303 0.387 10 0 BCAERO C[NH+](C)CCCNCC(=O)N1CCCCCC1 ZINC000020054204 172438766 /nfs/dbraw/zinc/43/87/66/172438766.db2.gz IWRPOBHDEZPYGG-UHFFFAOYSA-N 1 0 241.379 0.930 10 0 BCAERO CN(C)S(=O)(=O)c1ccc(OCC[NH3+])cc1 ZINC000011801404 172517684 /nfs/dbraw/zinc/51/76/84/172517684.db2.gz COPVHIMYTCKDLL-UHFFFAOYSA-N 1 0 244.316 0.274 10 0 BCAERO C[NH+](C)[C@H]1CCN(C(=O)Nc2ccon2)C1 ZINC000183520145 172539301 /nfs/dbraw/zinc/53/93/01/172539301.db2.gz SXBFWWSRWKGCSB-QMMMGPOBSA-N 1 0 224.264 0.842 10 0 BCAERO C[NH+](C)[C@H]1CC[C@H](NC(=O)CC(C)(C)O)C1 ZINC000337151933 172540923 /nfs/dbraw/zinc/54/09/23/172540923.db2.gz MBZGXIKIGFISJI-UWVGGRQHSA-N 1 0 228.336 0.746 10 0 BCAERO CN(CC(=O)NC1CC1)c1cc(C[NH3+])ccn1 ZINC000036791846 172609005 /nfs/dbraw/zinc/60/90/05/172609005.db2.gz VNVBDMNWPSPVDC-UHFFFAOYSA-N 1 0 234.303 0.255 10 0 BCAERO CN(CC(=O)c1ccc[nH]1)C[C@H]1CC[NH2+]C1 ZINC000095071273 172620168 /nfs/dbraw/zinc/62/01/68/172620168.db2.gz PVLPMVYRRQUASJ-JTQLQIEISA-N 1 0 221.304 0.739 10 0 BCAERO CN(C[C@@H]1CCCOC1)C(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000091539772 172814878 /nfs/dbraw/zinc/81/48/78/172814878.db2.gz RHLOLBCCQKZGFD-SRVKXCTJSA-N 1 0 240.347 0.999 10 0 BCAERO CN(C[C@H]1CCCCO1)C(=O)[C@@H]1CC[NH2+]C1 ZINC000062116423 172827684 /nfs/dbraw/zinc/82/76/84/172827684.db2.gz VIXNQYFQGGNWKD-GHMZBOCLSA-N 1 0 226.320 0.623 10 0 BCAERO CN(Cc1cnn(C)c1)C(=O)[C@H]1CCC[NH2+]C1 ZINC000037800718 172916118 /nfs/dbraw/zinc/91/61/18/172916118.db2.gz UXGAVPATYSHCPN-NSHDSACASA-N 1 0 236.319 0.378 10 0 BCAERO C[N@@H+]1CCCC[C@@H]1CNc1ncc(N)cn1 ZINC000044563756 173004939 /nfs/dbraw/zinc/00/49/39/173004939.db2.gz OWMMAPRKWQQWOW-SNVBAGLBSA-N 1 0 221.308 0.955 10 0 BCAERO CN1CCCC[C@@H]1C[NH2+]C1CCS(=O)CC1 ZINC000044560789 173005247 /nfs/dbraw/zinc/00/52/47/173005247.db2.gz HTBACCPPMUQJGZ-BWBHSNQOSA-N 1 0 244.404 0.971 10 0 BCAERO C[N@@H+]1CCCC[C@@H]1CNCc1nc[nH]n1 ZINC000054243261 173005694 /nfs/dbraw/zinc/00/56/94/173005694.db2.gz DROAETCQAJWCAP-SECBINFHSA-N 1 0 209.297 0.379 10 0 BCAERO C[N@@H+]1CCCN(C(=O)Cc2ccccc2N)CC1 ZINC000020217550 173012028 /nfs/dbraw/zinc/01/20/28/173012028.db2.gz BOZXPWDVTXEYPS-UHFFFAOYSA-N 1 0 247.342 0.975 10 0 BCAERO C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[C@H]1O ZINC000361010436 173025196 /nfs/dbraw/zinc/02/51/96/173025196.db2.gz YPZHUXAGZPTPGL-HBNTYKKESA-N 1 0 226.320 0.500 10 0 BCAERO C[N@@H+]1CCC[C@@H]1CCOc1nccnc1C(=N)N ZINC000054380929 173027312 /nfs/dbraw/zinc/02/73/12/173027312.db2.gz FISXGXALVNYFDX-SECBINFHSA-N 1 0 249.318 0.624 10 0 BCAERO C[N@@H+]1CCC[C@@H]1CCOc1ncc(N)cn1 ZINC000040456170 173027449 /nfs/dbraw/zinc/02/74/49/173027449.db2.gz BQPYTWOJCMYASQ-SNVBAGLBSA-N 1 0 222.292 0.922 10 0 BCAERO CN(Cc1nnsc1N)[C@H]1CCC[N@H+](C)C1 ZINC000053248498 173045132 /nfs/dbraw/zinc/04/51/32/173045132.db2.gz SWQREJZHNUIMAA-QMMMGPOBSA-N 1 0 241.364 0.646 10 0 BCAERO C[N@@H+]1CCC[C@H](OC(=O)n2ccnc2)C1 ZINC000039105743 173045742 /nfs/dbraw/zinc/04/57/42/173045742.db2.gz SVSKWNSDHFBUOJ-VIFPVBQESA-N 1 0 209.249 0.962 10 0 BCAERO CN1CCN(C(=O)C[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000055122118 173066788 /nfs/dbraw/zinc/06/67/88/173066788.db2.gz RBNRVHGFKGSNFS-NWDGAFQWSA-N 1 0 239.363 0.668 10 0 BCAERO C[NH+]1CCN(CCNc2ccc(N)nc2)CC1 ZINC000037759576 173081325 /nfs/dbraw/zinc/08/13/25/173081325.db2.gz JPLMXXJATZIWBQ-UHFFFAOYSA-N 1 0 235.335 0.323 10 0 BCAERO C[NH+]1CCN(Cc2csc(N)n2)CC1 ZINC000019722520 173089389 /nfs/dbraw/zinc/08/93/89/173089389.db2.gz YQYOUUBOAQNYLX-UHFFFAOYSA-N 1 0 212.322 0.473 10 0 BCAERO CN1CCN([C@@H]2COc3ccccc3[C@H]2[NH3+])CC1 ZINC000019397304 173091673 /nfs/dbraw/zinc/09/16/73/173091673.db2.gz MOSFDOZXOZJNTA-TZMCWYRMSA-N 1 0 247.342 0.695 10 0 BCAERO CN1CCN([C@H]2COc3ccccc3[C@@H]2[NH3+])CC1 ZINC000019397302 173093860 /nfs/dbraw/zinc/09/38/60/173093860.db2.gz MOSFDOZXOZJNTA-JSGCOSHPSA-N 1 0 247.342 0.695 10 0 BCAERO CN1CCO[C@H](C[NH2+]Cc2cccnc2)C1 ZINC000082432930 173107713 /nfs/dbraw/zinc/10/77/13/173107713.db2.gz OWLGHAXKWIBXHX-GFCCVEGCSA-N 1 0 221.304 0.502 10 0 BCAERO C[N@@H+]1CC[C@@H](NC(=O)c2ccc(F)c(N)c2)C1 ZINC000042543585 173121102 /nfs/dbraw/zinc/12/11/02/173121102.db2.gz NJLRIBKKWNZIGU-SECBINFHSA-N 1 0 237.278 0.842 10 0 BCAERO CN1CC[C@@H]([NH2+]CC(=O)N2CCCCCC2)C1 ZINC000042547649 173124022 /nfs/dbraw/zinc/12/40/22/173124022.db2.gz IRALBDPILDBABP-GFCCVEGCSA-N 1 0 239.363 0.683 10 0 BCAERO CN1CC[C@@H]([NH2+]C[C@@H]2CCCCN2C)C1 ZINC000054243553 173124359 /nfs/dbraw/zinc/12/43/59/173124359.db2.gz WZOITBXMGCQZTA-NEPJUHHUSA-N 1 0 211.353 0.764 10 0 BCAERO CN1CC[C@@H]([NH2+]Cc2ccccc2C(N)=O)C1 ZINC000042547591 173124738 /nfs/dbraw/zinc/12/47/38/173124738.db2.gz WDMZWQWYSORMJD-LLVKDONJSA-N 1 0 233.315 0.579 10 0 BCAERO C[N@@H+]1CC[C@@H](NC(=O)c2cccc(N)n2)C1 ZINC000051071869 173124839 /nfs/dbraw/zinc/12/48/39/173124839.db2.gz QXEJLHTYIMBYOH-MRVPVSSYSA-N 1 0 220.276 0.098 10 0 BCAERO CN([C@@H]1CCSC1)[C@]1(C[NH3+])CCN(C)C1 ZINC000061990222 173135699 /nfs/dbraw/zinc/13/56/99/173135699.db2.gz CMNRSZFJEDMQAG-MNOVXSKESA-N 1 0 229.393 0.457 10 0 BCAERO CN(C[C@H]1CC[N@H+](C)C1)C(=O)c1cn[nH]c1 ZINC000070823905 173142487 /nfs/dbraw/zinc/14/24/87/173142487.db2.gz DFBCCHILUVRGKF-VIFPVBQESA-N 1 0 222.292 0.433 10 0 BCAERO C[N@@H+]1CC[C@H](CNCc2ccncn2)C1 ZINC000054789577 173147330 /nfs/dbraw/zinc/14/73/30/173147330.db2.gz VHSJWYTWUXOOBC-SNVBAGLBSA-N 1 0 206.293 0.518 10 0 BCAERO CN1CC[C@H]([NH2+][C@H](CO)Cc2ccccc2)C1 ZINC000063219050 173154990 /nfs/dbraw/zinc/15/49/90/173154990.db2.gz YLFZEWRSDPOKQM-KBPBESRZSA-N 1 0 234.343 0.884 10 0 BCAERO C[N@@H+]1CC[C@](O)(c2ccc3c(c2)OCCO3)C1 ZINC000061987148 173165872 /nfs/dbraw/zinc/16/58/72/173165872.db2.gz LJALZOMHEJNQLA-CYBMUJFWSA-N 1 0 235.283 0.981 10 0 BCAERO CN1C[C@@H]([NH2+]CC2CCOCC2)CCC1=O ZINC000082756535 173186391 /nfs/dbraw/zinc/18/63/91/173186391.db2.gz GRQDZAUWHOITAG-NSHDSACASA-N 1 0 226.320 0.623 10 0 BCAERO CN1C[C@H]([NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)CC1=O ZINC000310568811 173196223 /nfs/dbraw/zinc/19/62/23/173196223.db2.gz YOEWVYWPWAMOLN-DMWPJOQESA-N 1 0 238.331 0.620 10 0 BCAERO CNC(=O)C1CCN([C@H]2CCC[C@@H]2[NH3+])CC1 ZINC000042489246 173223748 /nfs/dbraw/zinc/22/37/48/173223748.db2.gz IFBFKMVITOJJLK-QWRGUYRKSA-N 1 0 225.336 0.324 10 0 BCAERO CNC(=O)C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000303037444 173223789 /nfs/dbraw/zinc/22/37/89/173223789.db2.gz IEWFIWRAXBSXAS-NWDGAFQWSA-N 1 0 240.347 0.748 10 0 BCAERO CNC(=O)C1CC[NH+](C[C@H](C)C(=O)OC)CC1 ZINC000042228648 173224325 /nfs/dbraw/zinc/22/43/25/173224325.db2.gz URMZYDXVPNETOU-VIFPVBQESA-N 1 0 242.319 0.254 10 0 BCAERO CNC(=O)C1CCN(CC[NH2+]C(C)C)CC1 ZINC000043500946 173224833 /nfs/dbraw/zinc/22/48/33/173224833.db2.gz AUILRGUIHAJPKN-UHFFFAOYSA-N 1 0 227.352 0.442 10 0 BCAERO CNC(=O)CCC[NH2+]Cc1ccnc(C)n1 ZINC000082672140 173241750 /nfs/dbraw/zinc/24/17/50/173241750.db2.gz KPOHKQRGHVRHPE-UHFFFAOYSA-N 1 0 222.292 0.401 10 0 BCAERO CNC(=O)CC[N@H+](C)[C@@]1(CN)CCC[C@@H](C)C1 ZINC000051757793 173249160 /nfs/dbraw/zinc/24/91/60/173249160.db2.gz VYIKKONCHJGBHL-YPMHNXCESA-N 1 0 241.379 0.962 10 0 BCAERO CNC(=O)CCN1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000051761686 173254156 /nfs/dbraw/zinc/25/41/56/173254156.db2.gz NBRWBMXMVBWOSJ-QWRGUYRKSA-N 1 0 225.336 0.339 10 0 BCAERO CNC(=O)CN(C)[C@@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000042901205 173269269 /nfs/dbraw/zinc/26/92/69/173269269.db2.gz VXLVASUWAZYZEY-ZWNOBZJWSA-N 1 0 235.331 0.753 10 0 BCAERO CNC(=O)CNC(=O)CCC1CCC([NH3+])CC1 ZINC000055126608 173275436 /nfs/dbraw/zinc/27/54/36/173275436.db2.gz SKRBAHRISNLCLU-UHFFFAOYSA-N 1 0 241.335 0.146 10 0 BCAERO CNC(=O)C[NH2+]CC1(O)CCCCC1 ZINC000037886373 173276807 /nfs/dbraw/zinc/27/68/07/173276807.db2.gz DNRDMVDFZRGHOC-UHFFFAOYSA-N 1 0 200.282 0.017 10 0 BCAERO CNC(=O)C[NH2+][C@@H]1CCCCC[C@@H]1O ZINC000037886444 173278010 /nfs/dbraw/zinc/27/80/10/173278010.db2.gz RHBBVSCINCMWSA-BDAKNGLRSA-N 1 0 200.282 0.016 10 0 BCAERO CNC(=O)COc1c(C)cc(CC[NH3+])cc1C ZINC000037720250 173279004 /nfs/dbraw/zinc/27/90/04/173279004.db2.gz HPKYUIFEMZAFHQ-UHFFFAOYSA-N 1 0 236.315 0.929 10 0 BCAERO CNC(=O)C[C@H](C)[NH2+]Cc1cnn(C)c1C ZINC000131561724 173282058 /nfs/dbraw/zinc/28/20/58/173282058.db2.gz LJKPBFVGXKRYPX-QMMMGPOBSA-N 1 0 224.308 0.343 10 0 BCAERO CNC(=O)Cn1c(C)c(C)c2c1nc(C)nc2N ZINC000037225138 173283979 /nfs/dbraw/zinc/28/39/79/173283979.db2.gz XQBVICMGLNPUDG-UHFFFAOYSA-N 1 0 247.302 0.685 10 0 BCAERO CNC(=O)NC(=O)[C@@H](C)[NH2+]CC1CCC1 ZINC000034653318 173288074 /nfs/dbraw/zinc/28/80/74/173288074.db2.gz GSLKBGCAFNVKCY-SSDOTTSWSA-N 1 0 213.281 0.220 10 0 BCAERO CNC(=O)NC(=O)[C@H](C)[NH2+]Cc1ccccc1 ZINC000020302850 173288797 /nfs/dbraw/zinc/28/87/97/173288797.db2.gz VNGICDXXLFRODR-VIFPVBQESA-N 1 0 235.287 0.620 10 0 BCAERO CNC(=O)[C@@H](C)N(C)Cc1ccccc1C[NH3+] ZINC000037757710 173294028 /nfs/dbraw/zinc/29/40/28/173294028.db2.gz UYSGTQOKEFPRIE-SNVBAGLBSA-N 1 0 235.331 0.712 10 0 BCAERO CNC(=O)[C@@H](C)[NH2+]C1CCSCC1 ZINC000042342081 173295196 /nfs/dbraw/zinc/29/51/96/173295196.db2.gz MJJAWBDCKSDDHJ-SSDOTTSWSA-N 1 0 202.323 0.606 10 0 BCAERO CNC(=O)[C@@H](C)Nc1[nH+]cc(N)cc1C ZINC000052813097 173296096 /nfs/dbraw/zinc/29/60/96/173296096.db2.gz KQQIPIVJWIIEDF-SSDOTTSWSA-N 1 0 208.265 0.519 10 0 BCAERO CNC(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000034102260 173296434 /nfs/dbraw/zinc/29/64/34/173296434.db2.gz STYQZLQWIUWXDE-LLVKDONJSA-N 1 0 206.289 0.905 10 0 BCAERO CNC(=O)[C@@]1(C)CC[N@H+](C[C@H](C)C(=O)OC)C1 ZINC000300712334 173300421 /nfs/dbraw/zinc/30/04/21/173300421.db2.gz HJOXJXNYJAUGIY-CABZTGNLSA-N 1 0 242.319 0.254 10 0 BCAERO CNC(=O)[C@H](C)[NH2+]C[C@@H](O)COC1CCCC1 ZINC000042562528 173302335 /nfs/dbraw/zinc/30/23/35/173302335.db2.gz YUBKHXOAADNWRT-VHSXEESVSA-N 1 0 244.335 0.031 10 0 BCAERO CNC(=O)[C@H](C)NC1CC[NH+](C(C)C)CC1 ZINC000042220905 173302541 /nfs/dbraw/zinc/30/25/41/173302541.db2.gz WZYFQQIFCCQMLS-JTQLQIEISA-N 1 0 227.352 0.583 10 0 BCAERO CNC(=O)[C@H](C)[NH2+]CC(=O)NC1CCCCC1 ZINC000042570004 173302607 /nfs/dbraw/zinc/30/26/07/173302607.db2.gz FBTQRIBUYYSHQH-VIFPVBQESA-N 1 0 241.335 0.159 10 0 BCAERO CNC(=O)[C@H](C)Oc1ccc(C[NH3+])cc1 ZINC000020386054 173304254 /nfs/dbraw/zinc/30/42/54/173304254.db2.gz VIBORJJQBQZVAP-QMMMGPOBSA-N 1 0 208.261 0.659 10 0 BCAERO CNC(=O)[C@H](C)OC[C@@H]1CCC[NH2+]C1 ZINC000051815284 173304360 /nfs/dbraw/zinc/30/43/60/173304360.db2.gz RILQKIBMRADFMM-DTWKUNHWSA-N 1 0 200.282 0.137 10 0 BCAERO CNC(=O)[C@H]1C=CNC(=[NH+]C)[C@@H]1OC1CC1 ZINC000095728743 173305558 /nfs/dbraw/zinc/30/55/58/173305558.db2.gz QNJZEBGJYVBLJW-DTWKUNHWSA-N 1 0 223.276 0.041 10 0 BCAERO CNC(=O)c1cc(NC(=O)C[NH3+])ccc1Cl ZINC000037767838 173309492 /nfs/dbraw/zinc/30/94/92/173309492.db2.gz TWZIHVOZPVYFMM-UHFFFAOYSA-N 1 0 241.678 0.597 10 0 BCAERO CNC(=O)c1ccc(N[C@H]2CCC[C@@H]2C[NH3+])nn1 ZINC000095013500 173311252 /nfs/dbraw/zinc/31/12/52/173311252.db2.gz FPOXXBMOZBHTPO-BDAKNGLRSA-N 1 0 249.318 0.376 10 0 BCAERO CNC(=O)c1ccccc1NC(=O)[C@@H]([NH3+])C(C)C ZINC000019505335 173312673 /nfs/dbraw/zinc/31/26/73/173312673.db2.gz XGFIIAODHFFSQR-NSHDSACASA-N 1 0 249.314 0.968 10 0 BCAERO C[NH2+]C(C)(C)C(=O)N1CCO[C@@H]2CCC[C@H]21 ZINC000061318982 173318283 /nfs/dbraw/zinc/31/82/83/173318283.db2.gz ICHFUBBTECJUJL-NXEZZACHSA-N 1 0 226.320 0.764 10 0 BCAERO C[NH2+]C(C)(C)C(=O)Nc1ccc(=O)n(C)c1 ZINC000061316791 173318503 /nfs/dbraw/zinc/31/85/03/173318503.db2.gz UGLXCPMFCDSECJ-UHFFFAOYSA-N 1 0 223.276 0.322 10 0 BCAERO C[NH2+]C(C)(C)C(=O)N1CCO[C@@H](C)C1 ZINC000061300033 173318540 /nfs/dbraw/zinc/31/85/40/173318540.db2.gz WSVKGCKUBZQOKG-QMMMGPOBSA-N 1 0 200.282 0.232 10 0 BCAERO C[NH2+]C(C)(C)C(=O)NC1CCC(O)CC1 ZINC000061300037 173318556 /nfs/dbraw/zinc/31/85/56/173318556.db2.gz AIFDDIRZJQIYHL-UHFFFAOYSA-N 1 0 214.309 0.404 10 0 BCAERO C[NH2+]C(C)(C)C(=O)NC[C@@H]1CCCCO1 ZINC000061318953 173318645 /nfs/dbraw/zinc/31/86/45/173318645.db2.gz QDHLIGLICBYBOI-VIFPVBQESA-N 1 0 214.309 0.670 10 0 BCAERO C[NH2+]C(C)(C)c1nc(-c2nc[nH]n2)no1 ZINC000061151345 173320738 /nfs/dbraw/zinc/32/07/38/173320738.db2.gz CNOVNJHAKYBCSD-UHFFFAOYSA-N 1 0 208.225 0.309 10 0 BCAERO C[NH2+]C(C)(C)c1nnc2cc(C)ncn21 ZINC000061151296 173321457 /nfs/dbraw/zinc/32/14/57/173321457.db2.gz FLVZIFDWJFLRGH-UHFFFAOYSA-N 1 0 205.265 0.887 10 0 BCAERO C[NH2+]C1CCN(C(=O)C2CCOCC2)CC1 ZINC000061670845 173321809 /nfs/dbraw/zinc/32/18/09/173321809.db2.gz AYODQDRDADKYRA-UHFFFAOYSA-N 1 0 226.320 0.623 10 0 BCAERO C[NH2+]C1CCN(Cc2ccnc(C)n2)CC1 ZINC000044994780 173322892 /nfs/dbraw/zinc/32/28/92/173322892.db2.gz NCBBVPUBPXBUTN-UHFFFAOYSA-N 1 0 220.320 0.969 10 0 BCAERO C[NH2+]C1CCN([C@]2(C)CCS(=O)(=O)C2)CC1 ZINC000044930954 173323991 /nfs/dbraw/zinc/32/39/91/173323991.db2.gz OLGRWUKPSDIEQA-LLVKDONJSA-N 1 0 246.376 0.247 10 0 BCAERO C[NH2+]C1CCN([C@H](C)C(=O)NC(C)C)CC1 ZINC000037469313 173324349 /nfs/dbraw/zinc/32/43/49/173324349.db2.gz VLPHGHMUHDIFIN-SNVBAGLBSA-N 1 0 227.352 0.583 10 0 BCAERO C[NH2+]C1C[C@H]2CC[C@@H](C1)N2CCS(C)(=O)=O ZINC000054603083 173324594 /nfs/dbraw/zinc/32/45/94/173324594.db2.gz SDIWGVSJDABHNI-FGWVZKOKSA-N 1 0 246.376 0.246 10 0 BCAERO C[NH2+]CC(=O)N1CC[C@@H](OCCC(C)C)C1 ZINC000237192552 173327760 /nfs/dbraw/zinc/32/77/60/173327760.db2.gz LBOBOAQPHUKFIY-LLVKDONJSA-N 1 0 228.336 0.869 10 0 BCAERO C[NH2+]CC(=O)Nc1ccc(Cl)c(C(N)=O)c1 ZINC000037027932 173333748 /nfs/dbraw/zinc/33/37/48/173333748.db2.gz FLQSIHOENDFILD-UHFFFAOYSA-N 1 0 241.678 0.597 10 0 BCAERO C[NH2+]CCC(=O)N[C@@H](C)[C@@H]1CCCO1 ZINC000043600067 173340701 /nfs/dbraw/zinc/34/07/01/173340701.db2.gz XWNRSOZKLZNEOL-IUCAKERBSA-N 1 0 200.282 0.280 10 0 BCAERO C[NH2+]CCCC(=O)N(C)C[C@H]1CCCO1 ZINC000042465900 173343452 /nfs/dbraw/zinc/34/34/52/173343452.db2.gz XSZHKNKXPOMFAL-SNVBAGLBSA-N 1 0 214.309 0.623 10 0 BCAERO CNC(=O)[C@H](CC(C)C)NC(=O)CCC[NH2+]C ZINC000037610792 173344670 /nfs/dbraw/zinc/34/46/70/173344670.db2.gz NLSYFBVUCIRAFA-JTQLQIEISA-N 1 0 243.351 0.263 10 0 BCAERO C[NH2+]CCCN1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000041054388 173346924 /nfs/dbraw/zinc/34/69/24/173346924.db2.gz ORZOLYBKOYWOHN-UWVGGRQHSA-N 1 0 224.304 0.771 10 0 BCAERO C[NH2+]CCCS(=O)(=O)N(C)C1CC1 ZINC000077299914 173350060 /nfs/dbraw/zinc/35/00/60/173350060.db2.gz NUJJWUWKWGXGIJ-UHFFFAOYSA-N 1 0 206.311 0.020 10 0 BCAERO C[NH2+]CCN(C)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000082598408 173353622 /nfs/dbraw/zinc/35/36/22/173353622.db2.gz QZGBBMJYFDVSCO-UHFFFAOYSA-N 1 0 220.276 0.512 10 0 BCAERO C[NH2+]CCN(C)c1ccccc1S(C)(=O)=O ZINC000053663798 173353954 /nfs/dbraw/zinc/35/39/54/173353954.db2.gz LPGORDUGMUVZLK-UHFFFAOYSA-N 1 0 242.344 0.746 10 0 BCAERO C[NH2+]CCNC(=O)c1ccc(O)cc1O ZINC000054244271 173355591 /nfs/dbraw/zinc/35/55/91/173355591.db2.gz LWVDOQADOQDMRQ-UHFFFAOYSA-N 1 0 210.233 0.047 10 0 BCAERO C[NH2+]CCNc1cc(C)nc2ncnn21 ZINC000054244791 173356838 /nfs/dbraw/zinc/35/68/38/173356838.db2.gz HQUQQJOAEKMALK-UHFFFAOYSA-N 1 0 206.253 0.064 10 0 BCAERO C[NH2+]CCS(=O)(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000049630055 173357725 /nfs/dbraw/zinc/35/77/25/173357725.db2.gz GVKGBMHHKNYNBX-AOOOYVTPSA-N 1 0 234.365 0.514 10 0 BCAERO C[NH2+]CCS(=O)(=O)Cc1ccccc1 ZINC000058827179 173357892 /nfs/dbraw/zinc/35/78/92/173357892.db2.gz FTUYUUFADOVBIN-UHFFFAOYSA-N 1 0 213.302 0.821 10 0 BCAERO C[NH2+]CC[C@H](N)C(=O)OCc1ccccc1 ZINC000071186627 173359016 /nfs/dbraw/zinc/35/90/16/173359016.db2.gz UQTGWIIURJSCFK-NSHDSACASA-N 1 0 222.288 0.667 10 0 BCAERO C[NH2+]C[C@@H](NC(C)=O)C(=O)NCc1ccccc1 ZINC000029554689 173364836 /nfs/dbraw/zinc/36/48/36/173364836.db2.gz GIYUEBOTOXYJAD-GFCCVEGCSA-N 1 0 249.314 0.027 10 0 BCAERO C[NH2+]C[C@@H](O)c1c(F)ccc(O)c1F ZINC000013834251 173365408 /nfs/dbraw/zinc/36/54/08/173365408.db2.gz GZCOBTKQGUJVLJ-SSDOTTSWSA-N 1 0 203.188 0.923 10 0 BCAERO C[NH2+]C[C@@H](O)COC[C@H]1CCCCO1 ZINC000019864949 173365464 /nfs/dbraw/zinc/36/54/64/173365464.db2.gz LQYIMEZTBTVYKU-NXEZZACHSA-N 1 0 203.282 0.152 10 0 BCAERO C[NH2+]C[C@@H](O)CSc1nncs1 ZINC000019865352 173365512 /nfs/dbraw/zinc/36/55/12/173365512.db2.gz QEYDKVRVOQPOKQ-RXMQYKEDSA-N 1 0 205.308 0.211 10 0 BCAERO C[NH2+]C[C@@H](O)COCCc1scnc1C ZINC000019864976 173365635 /nfs/dbraw/zinc/36/56/35/173365635.db2.gz WXSUAPWLHOABTE-SECBINFHSA-N 1 0 230.333 0.591 10 0 BCAERO C[NH2+]C[C@@H](O)COc1ccc(NC(C)=O)cc1 ZINC000019864562 173365900 /nfs/dbraw/zinc/36/59/00/173365900.db2.gz HYGJCPMUTBEKRD-LLVKDONJSA-N 1 0 238.287 0.604 10 0 BCAERO C[NH2+]C[C@@H]1CCCN(S(=O)(=O)C(F)F)C1 ZINC000040596726 173368064 /nfs/dbraw/zinc/36/80/64/173368064.db2.gz HYYXHJHHVMYFJS-ZETCQYMHSA-N 1 0 242.291 0.470 10 0 BCAERO C[NH2+]C[C@@H]1CCN(C(=O)CCn2ccnc2)C1 ZINC000071143879 173369796 /nfs/dbraw/zinc/36/97/96/173369796.db2.gz MITBTEKRTYOWTL-NSHDSACASA-N 1 0 236.319 0.341 10 0 BCAERO C[NH2+]C[C@@H]1CCN(c2ncnc3c2cnn3C)C1 ZINC000071148227 173371068 /nfs/dbraw/zinc/37/10/68/173371068.db2.gz TUVDTYHTJZCDOL-VIFPVBQESA-N 1 0 246.318 0.409 10 0 BCAERO C[NH2+]C[C@@H]1C[C@H](F)CN1c1ccncn1 ZINC000238856348 173372687 /nfs/dbraw/zinc/37/26/87/173372687.db2.gz VSEDSCZDHJPPRI-IUCAKERBSA-N 1 0 210.256 0.613 10 0 BCAERO C[NH2+]C[C@H](C(C)C)N1CCCOCC1 ZINC000061936208 173373373 /nfs/dbraw/zinc/37/33/73/173373373.db2.gz RDGNBUHHZPQWLH-LLVKDONJSA-N 1 0 200.326 0.953 10 0 BCAERO C[NH2+]C[C@@]1(Cc2cnn(C)c2)CCOC1 ZINC000054663883 173373587 /nfs/dbraw/zinc/37/35/87/173373587.db2.gz VSOFKLJPUZNQTN-NSHDSACASA-N 1 0 209.293 0.589 10 0 BCAERO C[NH2+]C[C@H](C)C(=O)N[C@H]1CCO[C@@H]1C ZINC000134255521 173374996 /nfs/dbraw/zinc/37/49/96/173374996.db2.gz HNTUFJZCMOPJCN-YIZRAAEISA-N 1 0 200.282 0.136 10 0 BCAERO C[NH2+]C[C@H](O)COCc1cccc(OC)c1 ZINC000019865032 173376754 /nfs/dbraw/zinc/37/67/54/173376754.db2.gz FWWREJHYPJEMDJ-NSHDSACASA-N 1 0 225.288 0.792 10 0 BCAERO C[NH2+]C[C@H](O)CS(=O)(=O)c1ccc(F)cc1 ZINC000019685785 173376978 /nfs/dbraw/zinc/37/69/78/173376978.db2.gz FDKIKXSYLVNQGM-VIFPVBQESA-N 1 0 247.291 0.180 10 0 BCAERO C[NH2+]C[C@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000037871887 173377230 /nfs/dbraw/zinc/37/72/30/173377230.db2.gz GBDYDQFTGYNZQU-JTQLQIEISA-N 1 0 229.301 0.343 10 0 BCAERO C[NH2+]C[C@H](O)c1ccc(OC)cc1OC ZINC000011802988 173377669 /nfs/dbraw/zinc/37/76/69/173377669.db2.gz QVMUREVYIXZSMX-JTQLQIEISA-N 1 0 211.261 0.957 10 0 BCAERO C[NH2+]C[C@H]1CCCCN1c1nccn1C ZINC000053706777 173377828 /nfs/dbraw/zinc/37/78/28/173377828.db2.gz YVFODQZKHIWGKK-SNVBAGLBSA-N 1 0 208.309 0.998 10 0 BCAERO C[NH2+]C[C@H]1CCCCN1C(=O)c1cnccn1 ZINC000063167812 173377978 /nfs/dbraw/zinc/37/79/78/173377978.db2.gz XQBHCOKBQOQFPB-SNVBAGLBSA-N 1 0 234.303 0.691 10 0 BCAERO C[NH2+]C[C@H]1CCCN(Cc2ncon2)C1 ZINC000040601278 173379208 /nfs/dbraw/zinc/37/92/08/173379208.db2.gz BTFFIDRUAQSEIS-SECBINFHSA-N 1 0 210.281 0.501 10 0 BCAERO C[NH2+]C[C@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000071148185 173381425 /nfs/dbraw/zinc/38/14/25/173381425.db2.gz JHRPGCSHBLBBFT-SNVBAGLBSA-N 1 0 233.315 0.831 10 0 BCAERO C[NH2+]C[C@H]1CCN(Cc2ccnc(C)n2)C1 ZINC000053034030 173381583 /nfs/dbraw/zinc/38/15/83/173381583.db2.gz IHWUBZMNGUBFET-LLVKDONJSA-N 1 0 220.320 0.826 10 0 BCAERO C[NH2+]C[C@H]1CN(C[C@@H]2CCCO2)CCO1 ZINC000071519056 173382418 /nfs/dbraw/zinc/38/24/18/173382418.db2.gz IAHVAZXPTJARQR-QWRGUYRKSA-N 1 0 214.309 0.086 10 0 BCAERO C[NH2+]Cc1c(C)nn(C)c1-n1ccc(C)n1 ZINC000052884751 173383781 /nfs/dbraw/zinc/38/37/81/173383781.db2.gz CXTKMMRINAIKQS-UHFFFAOYSA-N 1 0 219.292 0.942 10 0 BCAERO C[NH2+]Cc1c(C)cc(C)nc1-n1cncn1 ZINC000051489662 173384455 /nfs/dbraw/zinc/38/44/55/173384455.db2.gz MDFNIOPHLJNAQB-UHFFFAOYSA-N 1 0 217.276 0.999 10 0 BCAERO C[NH2+]Cc1cc(-n2nc(C)nc2C)ccn1 ZINC000051488427 173386267 /nfs/dbraw/zinc/38/62/67/173386267.db2.gz WAWJLDLILFTRSP-UHFFFAOYSA-N 1 0 217.276 0.999 10 0 BCAERO C[NH2+]Cc1cc2c(cc1OC[C@@H](C)O)OCO2 ZINC000042874170 173386663 /nfs/dbraw/zinc/38/66/63/173386663.db2.gz BZPHTTMLXXAZKQ-MRVPVSSYSA-N 1 0 239.271 0.894 10 0 BCAERO C[NH2+]Cc1cc(CN2CCOC[C@H]2C)on1 ZINC000052475869 173387477 /nfs/dbraw/zinc/38/74/77/173387477.db2.gz DADJOIQBXGOIOC-SECBINFHSA-N 1 0 225.292 0.615 10 0 BCAERO C[NH2+]Cc1cccc(OC)c1O[C@H](C)C(N)=O ZINC000035413471 173389564 /nfs/dbraw/zinc/38/95/64/173389564.db2.gz DYUFVOSTKKVBHS-MRVPVSSYSA-N 1 0 238.287 0.667 10 0 BCAERO C[NH2+]Cc1cccc(S(=O)(=O)N(C)C)c1 ZINC000071483037 173389861 /nfs/dbraw/zinc/38/98/61/173389861.db2.gz DUPALNHRKFNQHP-UHFFFAOYSA-N 1 0 228.317 0.656 10 0 BCAERO C[NH2+]Cc1ccoc1CN1CCOCC1 ZINC000052377751 173391237 /nfs/dbraw/zinc/39/12/37/173391237.db2.gz UYOXIWAAWAAEFU-UHFFFAOYSA-N 1 0 210.277 0.831 10 0 BCAERO C[NH2+]Cc1cnc(-c2cnccn2)nc1 ZINC000054855445 173392265 /nfs/dbraw/zinc/39/22/65/173392265.db2.gz YBFUVAGMDZAOQY-UHFFFAOYSA-N 1 0 201.233 0.653 10 0 BCAERO C[NH2+]Cc1cnn([C@@H]2CCS(=O)(=O)C2)c1C ZINC000042355424 173393805 /nfs/dbraw/zinc/39/38/05/173393805.db2.gz UMXRNXUXNILCQE-SNVBAGLBSA-N 1 0 243.332 0.271 10 0 BCAERO C[NH2+]Cc1cnn([C@@H]2CCC[C@H]2O)c1C ZINC000054599553 173393990 /nfs/dbraw/zinc/39/39/90/173393990.db2.gz DLVPXCBDHXHGBI-GHMZBOCLSA-N 1 0 209.293 0.997 10 0 BCAERO C[NH2+]Cc1cnn(-c2ncccn2)c1C ZINC000042355820 173394102 /nfs/dbraw/zinc/39/41/02/173394102.db2.gz UWAIQADZDNNOOY-UHFFFAOYSA-N 1 0 203.249 0.690 10 0 BCAERO C[NH2+]Cc1nccn1Cc1nnc(C)n1C ZINC000051004598 173397169 /nfs/dbraw/zinc/39/71/69/173397169.db2.gz UEUROVMJTSKCMO-UHFFFAOYSA-N 1 0 220.280 0.088 10 0 BCAERO C[NH2+]Cc1nnnn1Cc1ccccc1 ZINC000049956632 173398331 /nfs/dbraw/zinc/39/83/31/173398331.db2.gz GDQRZUXAKVDDKC-UHFFFAOYSA-N 1 0 203.249 0.441 10 0 BCAERO C[NH2+]Cc1nnnn1Cc1ccc(F)cc1 ZINC000054745892 173398498 /nfs/dbraw/zinc/39/84/98/173398498.db2.gz GXPSVSRDLVZYIE-UHFFFAOYSA-N 1 0 221.239 0.580 10 0 BCAERO C[NH2+]Cc1nnnn1CCOc1cccc(C)c1 ZINC000054747035 173398749 /nfs/dbraw/zinc/39/87/49/173398749.db2.gz XHBQKAKFCIECLT-UHFFFAOYSA-N 1 0 247.302 0.780 10 0 BCAERO C[NH2+]Cc1nnnn1Cc1ccc(F)cc1F ZINC000054746471 173398755 /nfs/dbraw/zinc/39/87/55/173398755.db2.gz LNMVAKKIFBSYMC-UHFFFAOYSA-N 1 0 239.229 0.719 10 0 BCAERO C[NH2+]Cc1nnnn1CCOC1CCCCC1 ZINC000104448860 173398837 /nfs/dbraw/zinc/39/88/37/173398837.db2.gz URDXSZJXFXPYFM-UHFFFAOYSA-N 1 0 239.323 0.742 10 0 BCAERO C[NH2+]Cc1nnnn1Cc1ccccc1F ZINC000054745685 173398870 /nfs/dbraw/zinc/39/88/70/173398870.db2.gz AERYZXLEIVZYGS-UHFFFAOYSA-N 1 0 221.239 0.580 10 0 BCAERO C[NH2+]Cc1nnnn1-c1cc(C)ccc1F ZINC000054744339 173399101 /nfs/dbraw/zinc/39/91/01/173399101.db2.gz VYRZGJKJCZUTHC-UHFFFAOYSA-N 1 0 221.239 0.829 10 0 BCAERO C[NH2+][C@@H]1CCN([C@@H](C)c2ccccn2)C1=O ZINC000049648733 173436705 /nfs/dbraw/zinc/43/67/05/173436705.db2.gz ISQQMFIHBUFKIK-GXSJLCMTSA-N 1 0 219.288 0.963 10 0 BCAERO C[NH2+][C@H](C)[C@@H](C)N1CC[C@H](N2CCOCC2)C1 ZINC000062979687 173447962 /nfs/dbraw/zinc/44/79/62/173447962.db2.gz ZBOWCLMQVHYMDP-UPJWGTAASA-N 1 0 241.379 0.389 10 0 BCAERO COC(=O)C(C)(C)CNC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000237112851 173502394 /nfs/dbraw/zinc/50/23/94/173502394.db2.gz PUCMIZZDZNKUJZ-RKDXNWHRSA-N 1 0 242.319 0.429 10 0 BCAERO COC(=O)CC[NH2+][C@H](C)[C@H]1CCCO1 ZINC000035735562 173564336 /nfs/dbraw/zinc/56/43/36/173564336.db2.gz STZLWHKWGLYNRX-RKDXNWHRSA-N 1 0 201.266 0.707 10 0 BCAERO COC(=O)[C@@](C)(c1ccccn1)N1CC[NH2+]CC1 ZINC000037963704 173755327 /nfs/dbraw/zinc/75/53/27/173755327.db2.gz IRJZMXDGBSYSJJ-CYBMUJFWSA-N 1 0 249.314 0.375 10 0 BCAERO COC(=O)[C@H](C)C[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000035759170 173772632 /nfs/dbraw/zinc/77/26/32/173772632.db2.gz JBYWRPKATLKSAU-BBBLOLIVSA-N 1 0 215.293 0.953 10 0 BCAERO COC(C)(C)CNC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000133515800 173941229 /nfs/dbraw/zinc/94/12/29/173941229.db2.gz LBSNWDGNPKHYOD-RKDXNWHRSA-N 1 0 214.309 0.383 10 0 BCAERO COC1CC[NH+]([C@H](CN)C2CCOCC2)CC1 ZINC000052177001 174030126 /nfs/dbraw/zinc/03/01/26/174030126.db2.gz GNVSRDSUUVVKRP-CYBMUJFWSA-N 1 0 242.363 0.851 10 0 BCAERO COC1CCN([C@@]2(C[NH3+])CCSC2)CC1 ZINC000037265944 174030287 /nfs/dbraw/zinc/03/02/87/174030287.db2.gz QRWCEMCXTZJORS-LLVKDONJSA-N 1 0 230.377 0.932 10 0 BCAERO COCC(=O)N(C)c1ccc(C[NH3+])cc1 ZINC000048631436 174038959 /nfs/dbraw/zinc/03/89/59/174038959.db2.gz JJPKIZQGGQZYDC-UHFFFAOYSA-N 1 0 208.261 0.755 10 0 BCAERO COCC(=O)N1CCC[C@H]1C1CC[NH2+]CC1 ZINC000048631644 174042298 /nfs/dbraw/zinc/04/22/98/174042298.db2.gz IHHNMOMKPJBJBA-NSHDSACASA-N 1 0 226.320 0.623 10 0 BCAERO COCC(=O)N1C[C@H]([NH+](C)C)[C@@H](C)C1 ZINC000089710199 174045671 /nfs/dbraw/zinc/04/56/71/174045671.db2.gz MZXDMHJJWZZNQT-IUCAKERBSA-N 1 0 200.282 0.041 10 0 BCAERO COCC(=O)N1C[C@@H](C)[NH2+]CC1(C)C ZINC000062568586 174046132 /nfs/dbraw/zinc/04/61/32/174046132.db2.gz XULLYCMRSNPDCK-MRVPVSSYSA-N 1 0 200.282 0.232 10 0 BCAERO COCC(=O)NC[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000062036718 174051298 /nfs/dbraw/zinc/05/12/98/174051298.db2.gz DHKWHZUAPXZUAX-DTWKUNHWSA-N 1 0 200.282 0.137 10 0 BCAERO COCCC(=O)N[C@H]1CCCC[C@H]1[NH3+] ZINC000053731789 174134665 /nfs/dbraw/zinc/13/46/65/174134665.db2.gz MXEOOKTUHJSDRK-BDAKNGLRSA-N 1 0 200.282 0.409 10 0 BCAERO COCCCCn1nnnc1C[NH2+]CC(C)C ZINC000054747421 174210408 /nfs/dbraw/zinc/21/04/08/174210408.db2.gz CWTUDPZCFIAGOD-UHFFFAOYSA-N 1 0 241.339 0.845 10 0 BCAERO COCCCN1C[C@H](CC[NH3+])OC1=O ZINC000077297263 174234307 /nfs/dbraw/zinc/23/43/07/174234307.db2.gz PPFFQDKQBWTVCB-QMMMGPOBSA-N 1 0 202.254 0.193 10 0 BCAERO COCCCNC(=O)[C@@H](C)OC[C@@H]1CC[NH2+]C1 ZINC000051888217 174243154 /nfs/dbraw/zinc/24/31/54/174243154.db2.gz YZXGYPXHPWQTMQ-GHMZBOCLSA-N 1 0 244.335 0.154 10 0 BCAERO COCCCNC(=O)[C@@H](C)OC[C@H]1CC[NH2+]C1 ZINC000051888219 174243181 /nfs/dbraw/zinc/24/31/81/174243181.db2.gz YZXGYPXHPWQTMQ-MNOVXSKESA-N 1 0 244.335 0.154 10 0 BCAERO COCCCNC(=O)[C@@H](C)O[C@H]1CCC[NH2+]C1 ZINC000020422755 174243752 /nfs/dbraw/zinc/24/37/52/174243752.db2.gz VDAXFAOVAJPYTH-MNOVXSKESA-N 1 0 244.335 0.296 10 0 BCAERO COCCCNC(=O)[C@H](C)[NH2+]CC(C)C ZINC000034938737 174244235 /nfs/dbraw/zinc/24/42/35/174244235.db2.gz OOTGOWUHRNWQJR-JTQLQIEISA-N 1 0 216.325 0.773 10 0 BCAERO COCCN(CCC[NH3+])C(=O)[C@H]1CCCCO1 ZINC000071223013 174290479 /nfs/dbraw/zinc/29/04/79/174290479.db2.gz PGOSHUZTUAAROK-LLVKDONJSA-N 1 0 244.335 0.379 10 0 BCAERO COCCN(CCOC)C[C@@H]1CCCC[NH2+]1 ZINC000042442994 174295856 /nfs/dbraw/zinc/29/58/56/174295856.db2.gz QNVBRJOLRARDEX-LBPRGKRZSA-N 1 0 230.352 0.723 10 0 BCAERO COCCN1CC[N@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000105823188 174309523 /nfs/dbraw/zinc/30/95/23/174309523.db2.gz KODTZYPGPOHWGB-GHMZBOCLSA-N 1 0 216.325 0.020 10 0 BCAERO COCCN1CC[N@H+](CCCF)C[C@@H]1C ZINC000128320616 174310295 /nfs/dbraw/zinc/31/02/95/174310295.db2.gz MDUKVUJRUUQHLN-NSHDSACASA-N 1 0 218.316 0.999 10 0 BCAERO COCCN1C[C@H](C[NH2+]C(C)C)CC1=O ZINC000077306604 174318751 /nfs/dbraw/zinc/31/87/51/174318751.db2.gz GWHAJCGEDPZUCX-JTQLQIEISA-N 1 0 214.309 0.479 10 0 BCAERO COCCNC(=O)[C@H](C)O[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000050211611 174326354 /nfs/dbraw/zinc/32/63/54/174326354.db2.gz FSFFOBYILNBMJW-OUAUKWLOSA-N 1 0 244.335 0.295 10 0 BCAERO COCCNC(=O)[C@@H]1[NH2+]CCC[C@@H]1C ZINC000051792001 174326522 /nfs/dbraw/zinc/32/65/22/174326522.db2.gz NHPOGHXDSJZFBG-DTWKUNHWSA-N 1 0 200.282 0.137 10 0 BCAERO COCCNC(=O)[C@H](C)[NH2+]C[C@H]1CCCOC1 ZINC000038046040 174326841 /nfs/dbraw/zinc/32/68/41/174326841.db2.gz PJNHQVCXBDPTOH-WDEREUQCSA-N 1 0 244.335 0.154 10 0 BCAERO COCCNC(=O)[C@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000019518124 174327586 /nfs/dbraw/zinc/32/75/86/174327586.db2.gz VECFRHVARGZWDV-OUAUKWLOSA-N 1 0 226.320 0.670 10 0 BCAERO COCC[NH2+]C1(C(N)=O)Cc2ccccc2C1 ZINC000053256654 174330058 /nfs/dbraw/zinc/33/00/58/174330058.db2.gz IRZHXCDFGRKHCC-UHFFFAOYSA-N 1 0 234.299 0.245 10 0 BCAERO COCC[NH2+]C[C@@H](O)COc1cccc(F)c1 ZINC000032100971 174333457 /nfs/dbraw/zinc/33/34/57/174333457.db2.gz HVZBNVKWAWVSPC-LLVKDONJSA-N 1 0 243.278 0.801 10 0 BCAERO COCC[NH2+]CCn1c(=O)cnc2ccccc21 ZINC000053523843 174333839 /nfs/dbraw/zinc/33/38/39/174333839.db2.gz ZEQOTHFKSUXAFB-UHFFFAOYSA-N 1 0 247.298 0.633 10 0 BCAERO COCC[NH2+]C[C@H]1C[C@@H]1c1cnn(C)c1 ZINC000054598742 174334799 /nfs/dbraw/zinc/33/47/99/174334799.db2.gz QDNODPQJXDQJRA-KOLCDFICSA-N 1 0 209.293 0.760 10 0 BCAERO COCC[NH2+]C[C@H](O)COc1ccccc1C ZINC000033468588 174334960 /nfs/dbraw/zinc/33/49/60/174334960.db2.gz LSUTUPSEDXUIGW-LBPRGKRZSA-N 1 0 239.315 0.971 10 0 BCAERO COCC[NH2+][C@@H](CO)c1ccc2c(c1)CCO2 ZINC000053292132 174337929 /nfs/dbraw/zinc/33/79/29/174337929.db2.gz XMCAEUAKLXSFCY-LBPRGKRZSA-N 1 0 237.299 0.891 10 0 BCAERO COCCOC(=O)c1sc(C[NH3+])nc1C ZINC000082486803 174343570 /nfs/dbraw/zinc/34/35/70/174343570.db2.gz WOCPZLRMOSBIIR-UHFFFAOYSA-N 1 0 230.289 0.713 10 0 BCAERO COCCOCCCNC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000104205151 174349431 /nfs/dbraw/zinc/34/94/31/174349431.db2.gz VUNLRLLMJPHBAM-GHMZBOCLSA-N 1 0 244.335 0.011 10 0 BCAERO COCCOCCCNC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000091545587 174349814 /nfs/dbraw/zinc/34/98/14/174349814.db2.gz SSFMDGCHAXMFFD-WDEREUQCSA-N 1 0 244.335 0.283 10 0 BCAERO COCCOc1ccccc1[C@@](C)(O)C[NH3+] ZINC000032015005 174369445 /nfs/dbraw/zinc/36/94/45/174369445.db2.gz HKCWVUDOKARNRD-LBPRGKRZSA-N 1 0 225.288 0.878 10 0 BCAERO COCC[C@@H]([NH3+])C(=O)Nc1cccc2n[nH]cc21 ZINC000052808181 174391579 /nfs/dbraw/zinc/39/15/79/174391579.db2.gz CTGBLANAQDKBBD-SECBINFHSA-N 1 0 248.286 0.865 10 0 BCAERO COCCc1noc(C2CC[NH2+]CC2)n1 ZINC000042436212 174426496 /nfs/dbraw/zinc/42/64/96/174426496.db2.gz ADFPFPMBHZLBKR-UHFFFAOYSA-N 1 0 211.265 0.726 10 0 BCAERO COC[C@@H](C)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000237157721 174437142 /nfs/dbraw/zinc/43/71/42/174437142.db2.gz HOJKXFVIINQWFM-APPZFPTMSA-N 1 0 200.282 0.122 10 0 BCAERO COC[C@@H](C)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000124074895 174437912 /nfs/dbraw/zinc/43/79/12/174437912.db2.gz KFTSBASUPMIQOO-BDAKNGLRSA-N 1 0 200.282 0.137 10 0 BCAERO COC[C@@H](C)NC(=O)C[NH2+]C[C@H]1CCCOC1 ZINC000049290844 174452628 /nfs/dbraw/zinc/45/26/28/174452628.db2.gz BETCXGCJHFARQH-GHMZBOCLSA-N 1 0 244.335 0.154 10 0 BCAERO COC[C@@H](O)CN(C)C(=O)CC[NH2+]C(C)(C)C ZINC000042526056 174491120 /nfs/dbraw/zinc/49/11/20/174491120.db2.gz NCNZHIMJOGXZST-JTQLQIEISA-N 1 0 246.351 0.230 10 0 BCAERO COC[C@](C)(C[NH3+])N1CCO[C@@H](C)C1 ZINC000053197765 174615219 /nfs/dbraw/zinc/61/52/19/174615219.db2.gz IJARBOUQCNJNOJ-UWVGGRQHSA-N 1 0 202.298 0.071 10 0 BCAERO CO[C@@H]1C[NH2+][C@H](C(=O)NC2CCCC2)C1 ZINC000040629486 174770874 /nfs/dbraw/zinc/77/08/74/174770874.db2.gz PKRFZDSAYJIVCR-UWVGGRQHSA-N 1 0 212.293 0.422 10 0 BCAERO CO[C@H]1C[NH2+]C[C@@H]1NC(=O)C1CCCCC1 ZINC000036235690 174899056 /nfs/dbraw/zinc/89/90/56/174899056.db2.gz NYMUVZSMBDMTED-QWRGUYRKSA-N 1 0 226.320 0.670 10 0 BCAERO COc1c(CN2CC[NH2+][C@H](C)C2)c(C)nn1C ZINC000092457082 174928517 /nfs/dbraw/zinc/92/85/17/174928517.db2.gz MPQFIHMKTVDRQL-SECBINFHSA-N 1 0 238.335 0.531 10 0 BCAERO COc1cc(C[C@H](O)C[NH3+])cc(OC)c1OC ZINC000041284865 174988268 /nfs/dbraw/zinc/98/82/68/174988268.db2.gz BOOCBKTULGEMDZ-VIFPVBQESA-N 1 0 241.287 0.575 10 0 BCAERO COc1cc(F)ccc1N1CC[C@H]([NH3+])C1=O ZINC000049660478 174993428 /nfs/dbraw/zinc/99/34/28/174993428.db2.gz HMNQOIMDWHWEAG-QMMMGPOBSA-N 1 0 224.235 0.898 10 0 BCAERO COc1cc(OC)c([C@@H]([NH3+])CO)c(OC)c1 ZINC000038124723 175007825 /nfs/dbraw/zinc/00/78/25/175007825.db2.gz QDOZVDVPNJUHAD-QMMMGPOBSA-N 1 0 227.260 0.705 10 0 BCAERO COc1cc(OC)cc(OCC[C@H](O)C[NH3+])c1 ZINC000019668606 175010178 /nfs/dbraw/zinc/01/01/78/175010178.db2.gz UGMDRJQDBSCDMS-VIFPVBQESA-N 1 0 241.287 0.792 10 0 BCAERO COc1cc(OC)cc(OC[C@@](C)(O)C[NH3+])c1 ZINC000019668085 175010213 /nfs/dbraw/zinc/01/02/13/175010213.db2.gz CRZRWJTYXXPNHB-LBPRGKRZSA-N 1 0 241.287 0.792 10 0 BCAERO COc1cc(OC)nc(N(C)[C@H]2CC[NH2+]C2)n1 ZINC000135009208 175010882 /nfs/dbraw/zinc/01/08/82/175010882.db2.gz LJKPHUFAPJSAEA-QMMMGPOBSA-N 1 0 238.291 0.292 10 0 BCAERO COc1cc([C@H](C)[NH3+])ccc1OCC(N)=O ZINC000022168052 175015165 /nfs/dbraw/zinc/01/51/65/175015165.db2.gz JHPBAQAJZHPKDY-ZETCQYMHSA-N 1 0 224.260 0.579 10 0 BCAERO COc1cc([C@H](C)[NH2+]CC(N)=O)ccc1O ZINC000021957936 175015674 /nfs/dbraw/zinc/01/56/74/175015674.db2.gz MFHFBGMKCNNZPA-ZETCQYMHSA-N 1 0 224.260 0.537 10 0 BCAERO COc1cc([C@H]([NH3+])CO)cc(F)c1O ZINC000072197890 175016800 /nfs/dbraw/zinc/01/68/00/175016800.db2.gz QWJPPSCBECXHOU-SSDOTTSWSA-N 1 0 201.197 0.532 10 0 BCAERO COc1cc([C@H]([NH3+])C(N)=O)cc(OC)c1OC ZINC000037514997 175016969 /nfs/dbraw/zinc/01/69/69/175016969.db2.gz IFMIHVOWIZLFKY-VIFPVBQESA-N 1 0 240.259 0.198 10 0 BCAERO COc1cc([C@H](N)C[NH3+])cc(F)c1O ZINC000072200559 175017014 /nfs/dbraw/zinc/01/70/14/175017014.db2.gz UZUXWGKACHFPGO-SSDOTTSWSA-N 1 0 200.213 0.498 10 0 BCAERO COc1cc2c(cc1OC)NC(=[NH2+])NC2 ZINC000027768475 175024691 /nfs/dbraw/zinc/02/46/91/175024691.db2.gz QKSPUSWBERAXGI-UHFFFAOYSA-N 1 0 207.233 0.753 10 0 BCAERO COc1ccc(-c2nc(C[NH3+])cc(=O)[nH]2)cc1 ZINC000058053969 175039576 /nfs/dbraw/zinc/03/95/76/175039576.db2.gz YZUSGWJNXIPQOC-UHFFFAOYSA-N 1 0 231.255 0.904 10 0 BCAERO COc1ccc(-n2nncc2C[NH3+])cc1 ZINC000062236569 175045561 /nfs/dbraw/zinc/04/55/61/175045561.db2.gz RGMMQFJPPDZXDL-UHFFFAOYSA-N 1 0 204.233 0.735 10 0 BCAERO COc1ccc(C(=O)NCC[NH+](C)C)cc1N ZINC000021964154 175060434 /nfs/dbraw/zinc/06/04/34/175060434.db2.gz KVNXVRVNMDBBCM-UHFFFAOYSA-N 1 0 237.303 0.569 10 0 BCAERO COc1ccc(C(=O)N[C@@H]2CC[N@H+](C)C2)cc1N ZINC000042543559 175062366 /nfs/dbraw/zinc/06/23/66/175062366.db2.gz SVGGMBNFSLDRNH-SNVBAGLBSA-N 1 0 249.314 0.711 10 0 BCAERO COc1ccc(CC[NH2+]CCO)cc1F ZINC000057496864 175091512 /nfs/dbraw/zinc/09/15/12/175091512.db2.gz ISWNMCVXJHMLNN-UHFFFAOYSA-N 1 0 213.252 0.959 10 0 BCAERO COc1ccc(C[C@@H](O)CC[NH3+])cc1OC ZINC000041245686 175115873 /nfs/dbraw/zinc/11/58/73/175115873.db2.gz TZBVPPZLGCFQBU-JTQLQIEISA-N 1 0 225.288 0.956 10 0 BCAERO COc1ccc(C[C@@](C)([NH3+])C(N)=O)cc1OC ZINC000005559866 175116420 /nfs/dbraw/zinc/11/64/20/175116420.db2.gz VYEDPVYAUMWITM-GFCCVEGCSA-N 1 0 238.287 0.449 10 0 BCAERO COc1ccc(Cl)cc1-n1nnnc1C[NH3+] ZINC000054744660 175119733 /nfs/dbraw/zinc/11/97/33/175119733.db2.gz UQYSZHVZEVCNCI-UHFFFAOYSA-N 1 0 239.666 0.783 10 0 BCAERO COc1ccc(N(C)C(=O)[C@H]2C[NH2+]CCN2)cc1 ZINC000062813425 175136124 /nfs/dbraw/zinc/13/61/24/175136124.db2.gz PQBNTGAAMXEREX-GFCCVEGCSA-N 1 0 249.314 0.219 10 0 BCAERO COc1ccc(N)c(C(=O)NCC[NH+](C)C)c1 ZINC000037846657 175137409 /nfs/dbraw/zinc/13/74/09/175137409.db2.gz NPEGRYWHQVMKEE-UHFFFAOYSA-N 1 0 237.303 0.569 10 0 BCAERO COc1ccc(N2CC[C@H]([NH3+])C2=O)c(OC)c1 ZINC000049647475 175139169 /nfs/dbraw/zinc/13/91/69/175139169.db2.gz UGSDRORYRSQQRS-VIFPVBQESA-N 1 0 236.271 0.768 10 0 BCAERO COc1ccc(NC[C@H](O)C[NH3+])cc1OC ZINC000032015193 175151565 /nfs/dbraw/zinc/15/15/65/175151565.db2.gz DJOTVNNIOIRYIG-SECBINFHSA-N 1 0 226.276 0.435 10 0 BCAERO COc1ccc(NC[C@@H](O)C[NH3+])c(OC)c1 ZINC000032015190 175151788 /nfs/dbraw/zinc/15/17/88/175151788.db2.gz UFJDDQWRQKVQNX-QMMMGPOBSA-N 1 0 226.276 0.435 10 0 BCAERO COc1ccc(OC)c(C[C@@H]2C[NH2+]CCN2)c1 ZINC000095750869 175166571 /nfs/dbraw/zinc/16/65/71/175166571.db2.gz SGSHECCNSLJLIY-LLVKDONJSA-N 1 0 236.315 0.808 10 0 BCAERO COc1ccc(OC)c([C@H]([NH3+])CCC(N)=O)c1 ZINC000037636029 175168846 /nfs/dbraw/zinc/16/88/46/175168846.db2.gz LXRUJVKOSSYKPI-SNVBAGLBSA-N 1 0 238.287 0.969 10 0 BCAERO COc1ccc(OC)c([C@](C)([NH3+])CO)c1 ZINC000038124446 175169902 /nfs/dbraw/zinc/16/99/02/175169902.db2.gz LRZIOEWVBGZOGD-LLVKDONJSA-N 1 0 211.261 0.870 10 0 BCAERO COc1ccc([C@@H]([NH3+])C(N)=O)cc1Cl ZINC000072232791 175178902 /nfs/dbraw/zinc/17/89/02/175178902.db2.gz CCGWRNZDCQRVDX-MRVPVSSYSA-N 1 0 214.652 0.834 10 0 BCAERO COc1ccc([C@@H]([NH3+])C(N)=O)cc1OC ZINC000037460197 175179060 /nfs/dbraw/zinc/17/90/60/175179060.db2.gz JKYVXGMJWRMEPB-SECBINFHSA-N 1 0 210.233 0.189 10 0 BCAERO COc1ccc([C@H]([NH3+])C(N)=O)cc1Cl ZINC000072232790 175191296 /nfs/dbraw/zinc/19/12/96/175191296.db2.gz CCGWRNZDCQRVDX-QMMMGPOBSA-N 1 0 214.652 0.834 10 0 BCAERO COc1cccc(CC(=O)N[C@@H]2C[C@H]2[NH3+])c1 ZINC000036235134 175251007 /nfs/dbraw/zinc/25/10/07/175251007.db2.gz PZUIAEADKQDMEQ-GHMZBOCLSA-N 1 0 220.272 0.454 10 0 BCAERO COc1cccc(C[N@@H+]2C[C@H](O)C[C@@H]2CO)c1 ZINC000179179417 175261129 /nfs/dbraw/zinc/26/11/29/175261129.db2.gz GOFHKJJMVNIZBV-VXGBXAGGSA-N 1 0 237.299 0.623 10 0 BCAERO COc1cccc(CNC(=O)[C@@H]2CCC[NH2+]2)n1 ZINC000237183714 175262459 /nfs/dbraw/zinc/26/24/59/175262459.db2.gz KHSVSTYOVJHEJU-JTQLQIEISA-N 1 0 235.287 0.458 10 0 BCAERO COc1cccc(C[NH2+][C@H]2CCC(=O)N[C@@H]2C)n1 ZINC000282314507 175268118 /nfs/dbraw/zinc/26/81/18/175268118.db2.gz KRCDJZLGMRRYKC-KOLCDFICSA-N 1 0 249.314 0.847 10 0 BCAERO COc1cccc(N2CC[C@@H]([NH3+])C2=O)c1 ZINC000049647924 175275012 /nfs/dbraw/zinc/27/50/12/175275012.db2.gz BKCMPPXIYPXHJH-SNVBAGLBSA-N 1 0 206.245 0.759 10 0 BCAERO COc1cccc(OC)c1OC(=O)CC[NH3+] ZINC000049819947 175281771 /nfs/dbraw/zinc/28/17/71/175281771.db2.gz WRTOSBWIIXNOJE-UHFFFAOYSA-N 1 0 225.244 0.958 10 0 BCAERO COc1cccc(OC[C@@H]([NH3+])CO)c1OC ZINC000071533113 175283977 /nfs/dbraw/zinc/28/39/77/175283977.db2.gz DBXVKTGNLWEIIG-QMMMGPOBSA-N 1 0 227.260 0.402 10 0 BCAERO COc1cccc([C@@H](C[NH3+])N2CC[C@H](O)C2)c1 ZINC000061709799 175288161 /nfs/dbraw/zinc/28/81/61/175288161.db2.gz MXNAYLABECPALU-WCQYABFASA-N 1 0 236.315 0.762 10 0 BCAERO COc1cccc([C@@H](C[NH3+])n2cncn2)c1 ZINC000043028723 175288223 /nfs/dbraw/zinc/28/82/23/175288223.db2.gz CFXFZYUSTLMQCT-LLVKDONJSA-N 1 0 218.260 0.835 10 0 BCAERO COc1cccc([C@@H]2NC(=O)CC[C@H]2[NH3+])c1 ZINC000057501515 175291051 /nfs/dbraw/zinc/29/10/51/175291051.db2.gz KMYZQXQFXNJDRL-PWSUYJOCSA-N 1 0 220.272 0.974 10 0 BCAERO COc1ccccc1-n1nnnc1[C@H](C)[NH3+] ZINC000062494068 175313553 /nfs/dbraw/zinc/31/35/53/175313553.db2.gz NIZLYBFUKSSCBH-ZETCQYMHSA-N 1 0 219.248 0.691 10 0 BCAERO COc1ccccc1CC(=O)N[C@H]1C[C@H]1[NH3+] ZINC000036235033 175321407 /nfs/dbraw/zinc/32/14/07/175321407.db2.gz JYBLXIZOYYZLNQ-ZJUUUORDSA-N 1 0 220.272 0.454 10 0 BCAERO COc1ccccc1Cc1nnc(CC[NH3+])[nH]1 ZINC000061844102 175335176 /nfs/dbraw/zinc/33/51/76/175335176.db2.gz VFOSWSUSIBELES-UHFFFAOYSA-N 1 0 232.287 0.905 10 0 BCAERO COc1cncc(C[NH2+][C@H]2CCC(=O)N[C@H]2C)c1 ZINC000289379861 175385044 /nfs/dbraw/zinc/38/50/44/175385044.db2.gz JACZLTHHSNLOHF-CABZTGNLSA-N 1 0 249.314 0.847 10 0 BCAERO COc1nc(Cl)nc(OC[C@@H]2CC[NH2+]C2)n1 ZINC000061515020 175392620 /nfs/dbraw/zinc/39/26/20/175392620.db2.gz WJKRNDOZJQTAEP-ZCFIWIBFSA-N 1 0 244.682 0.522 10 0 BCAERO COc1nc(Cl)nc(N[C@H]2CC[NH2+]C2)n1 ZINC000061514765 175392627 /nfs/dbraw/zinc/39/26/27/175392627.db2.gz APAJAERLMPHIDG-YFKPBYRVSA-N 1 0 229.671 0.307 10 0 BCAERO COc1nc(Cl)nc(O[C@@H]2CC[NH2+]C2)n1 ZINC000061514989 175392751 /nfs/dbraw/zinc/39/27/51/175392751.db2.gz KLJWIAVRKFSWRH-RXMQYKEDSA-N 1 0 230.655 0.274 10 0 BCAERO COc1nc(Cl)nc(NC[C@@H]2CCC[NH2+]2)n1 ZINC000061514769 175392882 /nfs/dbraw/zinc/39/28/82/175392882.db2.gz SDTFQMGSTMCQDQ-LURJTMIESA-N 1 0 243.698 0.698 10 0 BCAERO Cc1ccnc(N2CCO[C@H]([C@H](C)[NH3+])C2)c1 ZINC000228374420 487630573 /nfs/dbraw/zinc/63/05/73/487630573.db2.gz IGIOJCWEOUVRGP-QWRGUYRKSA-N 1 0 221.304 0.942 10 0 BCAERO CS(=O)(=O)CCC[NH2+]C[C@H]1CCCCO1 ZINC000038048166 175421535 /nfs/dbraw/zinc/42/15/35/175421535.db2.gz QMZJRTYLECXBGQ-SNVBAGLBSA-N 1 0 235.349 0.580 10 0 BCAERO CS(=O)(=O)N[C@H]1CCCC[C@H]1[NH2+]C1CCC1 ZINC000309863476 175432505 /nfs/dbraw/zinc/43/25/05/175432505.db2.gz NQEFOFMYQWENSW-MNOVXSKESA-N 1 0 246.376 0.989 10 0 BCAERO CS(=O)(=O)c1ccccc1N[C@@H]1CC[NH2+]C1 ZINC000052093826 175439816 /nfs/dbraw/zinc/43/98/16/175439816.db2.gz VQZHACWQJKABIU-SECBINFHSA-N 1 0 240.328 0.864 10 0 BCAERO Cc1cccc(N2CCO[C@H]([C@H](C)[NH3+])C2)n1 ZINC000228374989 487630619 /nfs/dbraw/zinc/63/06/19/487630619.db2.gz CUMQBWRNSZCMMZ-QWRGUYRKSA-N 1 0 221.304 0.942 10 0 BCAERO CSCC(=O)N[C@H]1CCC[NH2+][C@@H]1C ZINC000129450188 175462019 /nfs/dbraw/zinc/46/20/19/175462019.db2.gz AHRHHFVELSNUJS-SFYZADRCSA-N 1 0 202.323 0.606 10 0 BCAERO CSCCC[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC000037982753 175486793 /nfs/dbraw/zinc/48/67/93/175486793.db2.gz ZQJCCRJARIPATN-SECBINFHSA-N 1 0 237.390 0.764 10 0 BCAERO CSCC[C@@H]([NH3+])[C@@H]1CCS(=O)(=O)C1 ZINC000043300147 175503588 /nfs/dbraw/zinc/50/35/88/175503588.db2.gz WJWXDQUKLKWZLJ-HTQZYQBOSA-N 1 0 223.363 0.502 10 0 BCAERO CS[C@H](C)C(=O)N[C@H]1CCC[NH2+][C@@H]1C ZINC000193605270 175556121 /nfs/dbraw/zinc/55/61/21/175556121.db2.gz QGOSLCJRNGOEOS-HLTSFMKQSA-N 1 0 216.350 0.995 10 0 BCAERO CC[N@H+](CCOCCO)C[C@H]1CCC[C@H](O)C1 ZINC000383506513 487631472 /nfs/dbraw/zinc/63/14/72/487631472.db2.gz KJMXHVCZKZPVID-STQMWFEESA-N 1 0 245.363 0.868 10 0 BCAERO C[C@@H](C1CC[NH2+]CC1)N1C(=O)CCCC1=O ZINC000035691778 175637074 /nfs/dbraw/zinc/63/70/74/175637074.db2.gz YHXVDHMYHIPKNJ-VIFPVBQESA-N 1 0 224.304 0.914 10 0 BCAERO C[C@@H](C[NH3+])CC(=O)NCc1ccccn1 ZINC000076584090 175706014 /nfs/dbraw/zinc/70/60/14/175706014.db2.gz IWUQUGBFCMIVFS-SECBINFHSA-N 1 0 207.277 0.683 10 0 BCAERO C[C@@H](C[NH3+])CN(C)CC(=O)NC1CCCCC1 ZINC000042455950 175706816 /nfs/dbraw/zinc/70/68/16/175706816.db2.gz KVQCMVAMZIFXOG-NSHDSACASA-N 1 0 241.379 0.962 10 0 BCAERO C[C@@H](C[NH2+]C[C@H]1CCCO1)N1CCCOCC1 ZINC000061936583 175732306 /nfs/dbraw/zinc/73/23/06/175732306.db2.gz YAKSXBWEXFHBJT-QWHCGFSZSA-N 1 0 242.363 0.866 10 0 BCAERO C[C@@H](CO)C[NH2+][C@H]1CCC(=O)NC1(C)C ZINC000309011315 175744901 /nfs/dbraw/zinc/74/49/01/175744901.db2.gz RYOIUIAXVWWWIJ-BDAKNGLRSA-N 1 0 214.309 0.262 10 0 BCAERO CC[N@H+](CCOCCO)C[C@H]1CCC[C@@H](O)C1 ZINC000383506508 487631673 /nfs/dbraw/zinc/63/16/73/487631673.db2.gz KJMXHVCZKZPVID-QWHCGFSZSA-N 1 0 245.363 0.868 10 0 BCAERO C[C@@H]([NH3+])CN1C(=O)c2ccccc2C1=O ZINC000019265186 175805764 /nfs/dbraw/zinc/80/57/64/175805764.db2.gz MPBVVGSBOVSYCY-SSDOTTSWSA-N 1 0 204.229 0.630 10 0 BCAERO C[C@@H]([NH3+])[C@H](O)c1ccc2c(c1)OCCO2 ZINC000032012130 175812422 /nfs/dbraw/zinc/81/24/22/175812422.db2.gz NIGVRCFJVXFFNZ-HQJQHLMTSA-N 1 0 209.245 0.838 10 0 BCAERO C[C@@H](NC(=O)CC[NH2+]C1CC1)c1nncn1C ZINC000037613029 175830075 /nfs/dbraw/zinc/83/00/75/175830075.db2.gz LFUDJHFJKSBMSF-MRVPVSSYSA-N 1 0 237.307 0.134 10 0 BCAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000309054445 487631940 /nfs/dbraw/zinc/63/19/40/487631940.db2.gz SAWILUNTVPOHGR-KAMPLNKDSA-N 1 0 208.305 0.981 10 0 BCAERO C[C@@H](NC(=O)NC1CC1)[C@H]1CCCC[NH2+]1 ZINC000054457123 175837457 /nfs/dbraw/zinc/83/74/57/175837457.db2.gz NGFWFMRQBCUGEQ-PSASIEDQSA-N 1 0 211.309 0.979 10 0 BCAERO C[C@@H]([NH2+]CCN(C)C)C(=O)N1CCCC1 ZINC000020299818 175878485 /nfs/dbraw/zinc/87/84/85/175878485.db2.gz AHJUGHJJHJDKMN-SNVBAGLBSA-N 1 0 213.325 0.149 10 0 BCAERO C[C@@H]([NH2+]C[C@H]1COCCO1)C(=O)N1CCCC1 ZINC000038061775 175894454 /nfs/dbraw/zinc/89/44/54/175894454.db2.gz FSQRSYDPGJBGDZ-MNOVXSKESA-N 1 0 242.319 0.002 10 0 BCAERO CC(C)[C@@H]([NH3+])CC(=O)N1CC[C@@](C)(C(N)=O)C1 ZINC000232680235 487632572 /nfs/dbraw/zinc/63/25/72/487632572.db2.gz ZNUUGMOAAUTFLB-JOYOIKCWSA-N 1 0 241.335 0.084 10 0 BCAERO C[C@@H](OC[C@@H]1CCC[NH2+]1)C(=O)N1CCCC1 ZINC000051816264 176003101 /nfs/dbraw/zinc/00/31/01/176003101.db2.gz RIHOQIXSOBUXKY-MNOVXSKESA-N 1 0 226.320 0.766 10 0 BCAERO C[C@@H](O[C@H]1CCC[NH2+]C1)C(=O)N1CCCC1 ZINC000020422811 176003684 /nfs/dbraw/zinc/00/36/84/176003684.db2.gz KVTJZARWEFINSA-MNOVXSKESA-N 1 0 226.320 0.766 10 0 BCAERO C[C@@H]([C@H]1CCCC[NH2+]1)N1CCCNC1=O ZINC000043373339 176011892 /nfs/dbraw/zinc/01/18/92/176011892.db2.gz AUMMZAPSGVGSQP-VHSXEESVSA-N 1 0 211.309 0.932 10 0 BCAERO C[C@@H]([C@@H]1CCCC[NH2+]1)N1CCCS1(=O)=O ZINC000035688649 176011966 /nfs/dbraw/zinc/01/19/66/176011966.db2.gz ONPURDMHEMKNNP-UWVGGRQHSA-N 1 0 232.349 0.553 10 0 BCAERO C[C@@H](c1noc(-c2cn[nH]c2)n1)N1CC[NH2+]CC1 ZINC000104066825 176040908 /nfs/dbraw/zinc/04/09/08/176040908.db2.gz LOJWLZRVFOOPKC-QMMMGPOBSA-N 1 0 248.290 0.426 10 0 BCAERO C[C@@H]1CC(=O)N(c2ccc(OCC[NH3+])cc2)C1=O ZINC000038051797 176049495 /nfs/dbraw/zinc/04/94/95/176049495.db2.gz GGKVYLDCMKSNFW-SECBINFHSA-N 1 0 248.282 0.924 10 0 BCAERO C[C@@H]1CCCC[C@@H]1NS(=O)(=O)CC[NH3+] ZINC000022177293 176081975 /nfs/dbraw/zinc/08/19/75/176081975.db2.gz IRWFLRLYQWCQME-BDAKNGLRSA-N 1 0 220.338 0.443 10 0 BCAERO C[C@@H]1CCCC[C@@]1(C(N)=O)N1CCC[NH2+]CC1 ZINC000037943780 176083201 /nfs/dbraw/zinc/08/32/01/176083201.db2.gz BUCKMPOGYKADTN-DGCLKSJQSA-N 1 0 239.363 0.716 10 0 BCAERO C[C@@H]1CCCC[C@H]1NS(=O)(=O)CC[NH3+] ZINC000022177298 176088289 /nfs/dbraw/zinc/08/82/89/176088289.db2.gz IRWFLRLYQWCQME-RKDXNWHRSA-N 1 0 220.338 0.443 10 0 BCAERO C[C@@H]1CCC[NH2+][C@H]1C(=O)N1CCN(C)CC1 ZINC000051791988 176112582 /nfs/dbraw/zinc/11/25/82/176112582.db2.gz LFMQBDCAOWQFGP-GHMZBOCLSA-N 1 0 225.336 0.149 10 0 BCAERO C[C@@H]1CCC[C@@](CO)([NH2+]CC(=O)NC2CC2)C1 ZINC000053126728 176133797 /nfs/dbraw/zinc/13/37/97/176133797.db2.gz GQFKNUZNHMLYLS-ZWNOBZJWSA-N 1 0 240.347 0.796 10 0 BCAERO C[C@@H]1CCC[C@H](C(=O)N(C)CC(=O)N(C)C)[NH2+]1 ZINC000037271821 176134750 /nfs/dbraw/zinc/13/47/50/176134750.db2.gz PXALMWLYASXZGF-NXEZZACHSA-N 1 0 241.335 0.064 10 0 BCAERO C[C@@H]1CCC[C@H](C(=O)N2CCC[C@H](O)C2)[C@@H]1[NH3+] ZINC000055127318 176135750 /nfs/dbraw/zinc/13/57/50/176135750.db2.gz WUZXLLQDKDPBGO-NOOOWODRSA-N 1 0 240.347 0.733 10 0 BCAERO C[C@@H]1CCN(C(=O)N2CCOCC2)[C@@H](C[NH3+])C1 ZINC000235334500 176157344 /nfs/dbraw/zinc/15/73/44/176157344.db2.gz OVHGFDQBGJAADT-GHMZBOCLSA-N 1 0 241.335 0.498 10 0 BCAERO C[C@@H]1CCN(CC[NH2+][C@@H]2CCS(=O)(=O)C2)C1 ZINC000053389563 176170096 /nfs/dbraw/zinc/17/00/96/176170096.db2.gz FDWRFXWVSRAKEE-GHMZBOCLSA-N 1 0 246.376 0.105 10 0 BCAERO C[C@@H]1CC[N@H+](C[C@H](O)Cn2cc(N)cn2)C1 ZINC000040716938 176171913 /nfs/dbraw/zinc/17/19/13/176171913.db2.gz HWCTUNBQYPNHLN-KOLCDFICSA-N 1 0 224.308 0.168 10 0 BCAERO C[C@@H]1CC[C@@H](C(=O)N2CCn3ccnc3C2)C[NH2+]1 ZINC000062256680 176195093 /nfs/dbraw/zinc/19/50/93/176195093.db2.gz QQBPAHXLRDBEBM-GHMZBOCLSA-N 1 0 248.330 0.613 10 0 BCAERO C[C@@H]1CC[C@@H](OCC(=O)N(C)C)C[NH2+]1 ZINC000050211491 176215257 /nfs/dbraw/zinc/21/52/57/176215257.db2.gz PAJUDRGCUKZHQI-RKDXNWHRSA-N 1 0 200.282 0.232 10 0 BCAERO C[C@@H]1CC[C@H](CN2CCCS2(=O)=O)C[NH2+]1 ZINC000062037276 176224488 /nfs/dbraw/zinc/22/44/88/176224488.db2.gz NGSINPBFKRLBOD-ZJUUUORDSA-N 1 0 232.349 0.410 10 0 BCAERO C[C@@H]1CC[C@H]([NH3+])C[C@@H]1C(=O)NCCCC(N)=O ZINC000055130544 176229115 /nfs/dbraw/zinc/22/91/15/176229115.db2.gz VFKNFRABLDWVCQ-UTLUCORTSA-N 1 0 241.335 0.132 10 0 BCAERO C[C@@H]1CN(C(=O)CCc2ccncc2)C[C@@H]1[NH3+] ZINC000235327919 176246521 /nfs/dbraw/zinc/24/65/21/176246521.db2.gz AGUYBHDTTIDQNS-PWSUYJOCSA-N 1 0 233.315 0.820 10 0 BCAERO C[C@@H]1CN(C(=O)COc2ccccc2)C[C@@H]1[NH3+] ZINC000235331600 176247214 /nfs/dbraw/zinc/24/72/14/176247214.db2.gz ICMJRCMLCXYCSO-PWSUYJOCSA-N 1 0 234.299 0.871 10 0 BCAERO C[C@@H]1CN(C(=O)C[C@H]2CCCCO2)C[C@@H]1[NH3+] ZINC000235333631 176247992 /nfs/dbraw/zinc/24/79/92/176247992.db2.gz VLUSOVIIOQBATR-MXWKQRLJSA-N 1 0 226.320 0.751 10 0 BCAERO C[C@@H]1CN(C(=O)C[C@@H]2C[NH2+]CCO2)C[C@@H](C)O1 ZINC000091298863 176248107 /nfs/dbraw/zinc/24/81/07/176248107.db2.gz CHFSUHYCNFQMPQ-GMTAPVOTSA-N 1 0 242.319 0.001 10 0 BCAERO C[C@@H]1CN(C(=O)NCC2CC2)C[C@@H]1[NH+](C)C ZINC000336409545 176250693 /nfs/dbraw/zinc/25/06/93/176250693.db2.gz REVUCWOOPXMUFO-KOLCDFICSA-N 1 0 225.336 0.988 10 0 BCAERO C[C@@H]1CN(C(=O)NCC2CC2)C[C@H]1[NH+](C)C ZINC000336409546 176250991 /nfs/dbraw/zinc/25/09/91/176250991.db2.gz REVUCWOOPXMUFO-MWLCHTKSSA-N 1 0 225.336 0.988 10 0 BCAERO C[C@@H]1CN(C(=O)[C@@H]2CCC[NH2+]C2)CCO1 ZINC000019409652 176254517 /nfs/dbraw/zinc/25/45/17/176254517.db2.gz MYNSEOJBMMRFRF-NXEZZACHSA-N 1 0 212.293 0.233 10 0 BCAERO C[C@@H]([NH3+])[C@@H](C)C(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000248503667 176256666 /nfs/dbraw/zinc/25/66/66/176256666.db2.gz VCQJXLIMCCLMDC-ZYUZMQFOSA-N 1 0 214.309 0.606 10 0 BCAERO C[C@@H]1CN(C(=O)[C@H]2CCC[NH2+]C2)CCO1 ZINC000019409656 176258525 /nfs/dbraw/zinc/25/85/25/176258525.db2.gz MYNSEOJBMMRFRF-ZJUUUORDSA-N 1 0 212.293 0.233 10 0 BCAERO C[C@@H]1CN(CC(=O)N(C)c2ccccc2)C[C@@H]1[NH3+] ZINC000235335823 176283928 /nfs/dbraw/zinc/28/39/28/176283928.db2.gz XHVKEUYPXQDXTK-YPMHNXCESA-N 1 0 247.342 0.928 10 0 BCAERO C[C@@H]1CN(Cc2cc(C[NH3+])no2)C[C@@H](C)O1 ZINC000052380607 176300913 /nfs/dbraw/zinc/30/09/13/176300913.db2.gz FSMGRSNOAIJHPW-RKDXNWHRSA-N 1 0 225.292 0.743 10 0 BCAERO C[C@@H]1C[N@H+](C[C@]2(CO)CCCOC2)CCN1C ZINC000104321457 176301357 /nfs/dbraw/zinc/30/13/57/176301357.db2.gz JKVNFYGQAQXPEV-OLZOCXBDSA-N 1 0 242.363 0.411 10 0 BCAERO C[C@@H]1CN(Cc2csc(C[NH3+])n2)CCO1 ZINC000052382547 176310399 /nfs/dbraw/zinc/31/03/99/176310399.db2.gz VJFOBUFDVHMTNI-MRVPVSSYSA-N 1 0 227.333 0.823 10 0 BCAERO C[C@@H]1CN([C@@H](C[NH3+])C2CCOCC2)CCO1 ZINC000052176530 176315494 /nfs/dbraw/zinc/31/54/94/176315494.db2.gz NNAAMUDXSKZAMH-PWSUYJOCSA-N 1 0 228.336 0.461 10 0 BCAERO C[C@@H]1CN([C@@H](C[NH3+])[C@@H]2CCOC2)C[C@@H](C)O1 ZINC000022214919 176315572 /nfs/dbraw/zinc/31/55/72/176315572.db2.gz YXHORAQDEFIIMO-KKOKHZNYSA-N 1 0 228.336 0.459 10 0 BCAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CCCCO ZINC000082699247 176322381 /nfs/dbraw/zinc/32/23/81/176322381.db2.gz KFCWVNGMPWSSCN-VXGBXAGGSA-N 1 0 212.337 0.927 10 0 BCAERO C[C@@H]1C[NH2+]CCN(C2CCS(=O)(=O)CC2)C1 ZINC000049662049 176325181 /nfs/dbraw/zinc/32/51/81/176325181.db2.gz HTDKAEUZXDNLNM-SNVBAGLBSA-N 1 0 246.376 0.105 10 0 BCAERO C[C@@H]1C[NH2+]CCN1Cc1ccc(Cl)nn1 ZINC000095069609 176327092 /nfs/dbraw/zinc/32/70/92/176327092.db2.gz HNHPPGGCMFHQSR-MRVPVSSYSA-N 1 0 226.711 0.924 10 0 BCAERO C[C@@H]1C[NH2+]CCN1Cc1ccnc(Cl)n1 ZINC000095069613 176328304 /nfs/dbraw/zinc/32/83/04/176328304.db2.gz YREANVOIIVRDRY-MRVPVSSYSA-N 1 0 226.711 0.924 10 0 BCAERO C[C@@H]1C[NH2+]C[C@@H](C)CN(CCS(C)(=O)=O)C1 ZINC000049662710 176328576 /nfs/dbraw/zinc/32/85/76/176328576.db2.gz SHEDWUOXJUZJPQ-GHMZBOCLSA-N 1 0 248.392 0.208 10 0 BCAERO C[C@@H]1C[NH2+]C[C@@H]1C(=O)N(C)C[C@@H]1CCCOC1 ZINC000104209867 176329184 /nfs/dbraw/zinc/32/91/84/176329184.db2.gz NCODHINKOOTTBU-WOPDTQHZSA-N 1 0 240.347 0.727 10 0 BCAERO C[C@@H]1C[NH2+]C[C@@H]1C(=O)Nc1ccc(N(C)C)nc1 ZINC000104222187 176329209 /nfs/dbraw/zinc/32/92/09/176329209.db2.gz HCVBMAOVXDNOKQ-KOLCDFICSA-N 1 0 248.330 0.942 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)NCCOCC1CC1 ZINC000227424896 176329663 /nfs/dbraw/zinc/32/96/63/176329663.db2.gz VDWYAVGVDZRWMU-MWLCHTKSSA-N 1 0 226.320 0.385 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N(C)Cc1ccncc1 ZINC000104207816 176329811 /nfs/dbraw/zinc/32/98/11/176329811.db2.gz NXAILIVMNJMUBL-ZYHUDNBSSA-N 1 0 233.315 0.896 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1ccccc1CO ZINC000104205035 176329879 /nfs/dbraw/zinc/32/98/79/176329879.db2.gz YFIYPOOBUOWYBO-MWLCHTKSSA-N 1 0 234.299 0.973 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@@H]1CCCC[C@H]1O ZINC000235290127 176330008 /nfs/dbraw/zinc/33/00/08/176330008.db2.gz WPRHUJCINSVNKR-WRWGMCAJSA-N 1 0 240.347 0.509 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N1C[C@@H](C)OC[C@@H]1C ZINC000223888769 176330199 /nfs/dbraw/zinc/33/01/99/176330199.db2.gz GTXSHZDCNWFKHA-LMLFDSFASA-N 1 0 226.320 0.478 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000226082744 176330247 /nfs/dbraw/zinc/33/02/47/176330247.db2.gz KTLJUBFSQJANOW-GMTAPVOTSA-N 1 0 225.336 0.052 10 0 BCAERO C[C@@H]1CN[C@@H](C(=O)NC2(C)CCCCC2)C[NH2+]1 ZINC000062815338 176330478 /nfs/dbraw/zinc/33/04/78/176330478.db2.gz OALWWWRKLRIEHZ-GHMZBOCLSA-N 1 0 239.363 0.775 10 0 BCAERO C[C@@H]1CN[C@@H](C(=O)NCC2CCCCC2)C[NH2+]1 ZINC000062814442 176330833 /nfs/dbraw/zinc/33/08/33/176330833.db2.gz KTZUXJIIOPSHNB-ZYHUDNBSSA-N 1 0 239.363 0.633 10 0 BCAERO C[C@@H]1COCCN1C(=O)C[C@H]1CCCC[NH2+]1 ZINC000035777679 176333972 /nfs/dbraw/zinc/33/39/72/176333972.db2.gz REYFGZANPZZRJM-GHMZBOCLSA-N 1 0 226.320 0.766 10 0 BCAERO C[C@@H]1COCCN1C(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000226739796 176334494 /nfs/dbraw/zinc/33/44/94/176334494.db2.gz UXHDIIDQEOEYMT-GMTAPVOTSA-N 1 0 226.320 0.751 10 0 BCAERO C[C@@H]1COCCN1C(=O)[C@H]1CCCC[NH2+]1 ZINC000035776668 176334760 /nfs/dbraw/zinc/33/47/60/176334760.db2.gz LPTIVWZSPSMVLC-NXEZZACHSA-N 1 0 212.293 0.376 10 0 BCAERO C[C@@H]1COCCN1c1ncc(C[NH3+])s1 ZINC000054895591 176337683 /nfs/dbraw/zinc/33/76/83/176337683.db2.gz LWWZKNSXKHAGGU-SSDOTTSWSA-N 1 0 213.306 0.827 10 0 BCAERO C[C@@H]1COCCN1Cc1cc(C[NH3+])co1 ZINC000052475970 176337804 /nfs/dbraw/zinc/33/78/04/176337804.db2.gz OPROWQOIGMPJFO-SECBINFHSA-N 1 0 210.277 0.959 10 0 BCAERO C[C@@H]1COC[C@@H](C)N1C(=O)C1CC[NH2+]CC1 ZINC000237461715 176345955 /nfs/dbraw/zinc/34/59/55/176345955.db2.gz PFBUHBRMZBCZJG-NXEZZACHSA-N 1 0 226.320 0.622 10 0 BCAERO C[C@@H]1CSC(NC[C@@H]2CCS(=O)(=O)C2)=[NH+]1 ZINC000050602977 176348795 /nfs/dbraw/zinc/34/87/95/176348795.db2.gz GGGRPHWSMGSQLP-SFYZADRCSA-N 1 0 248.373 0.502 10 0 BCAERO C[C@@H]1CSCCN1C(=O)[C@@H]1CC[NH2+]C1 ZINC000069761846 176350170 /nfs/dbraw/zinc/35/01/70/176350170.db2.gz OXEOTIOQHMCZDZ-RKDXNWHRSA-N 1 0 214.334 0.560 10 0 BCAERO C[C@@H]1CSC[C@H]1[NH2+]C[C@@H]1CN(C)CCO1 ZINC000336670570 176355476 /nfs/dbraw/zinc/35/54/76/176355476.db2.gz FUHJQHJHWSAQMV-GMTAPVOTSA-N 1 0 230.377 0.658 10 0 BCAERO C[C@@H]1CSC[C@H]1[NH2+][C@]1(CO)CCOC1 ZINC000306413971 176357012 /nfs/dbraw/zinc/35/70/12/176357012.db2.gz UUIJMLQYRPJUOW-BBBLOLIVSA-N 1 0 217.334 0.479 10 0 BCAERO C[C@@H]1C[C@@H](C(=O)N[C@@H]2CC[N@H+](C)C2)CC[C@@H]1[NH3+] ZINC000055139806 176359388 /nfs/dbraw/zinc/35/93/88/176359388.db2.gz BUTXQYYCSORYKO-KXNHARMFSA-N 1 0 239.363 0.570 10 0 BCAERO C[C@@H]1C[C@@H]1C[N@H+](C)[C@]1(CN)CN2CCC1CC2 ZINC000104413598 176392053 /nfs/dbraw/zinc/39/20/53/176392053.db2.gz SLZWVNPSSMCVIL-YRGRVCCFSA-N 1 0 237.391 0.997 10 0 BCAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]Cc1ccn(C)n1 ZINC000336737247 176456295 /nfs/dbraw/zinc/45/62/95/176456295.db2.gz JHKRTDQGUYXYKO-WCBMZHEXSA-N 1 0 222.292 0.177 10 0 BCAERO C[C@@H]1OCC[C@@H]1NC(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000134258277 176471089 /nfs/dbraw/zinc/47/10/89/176471089.db2.gz HLUDHTQXYLKRKF-VLEAKVRGSA-N 1 0 226.320 0.798 10 0 BCAERO C[C@@]1(C[NH3+])CCN(c2ncnc3nc[nH]c32)C1 ZINC000235416940 176530676 /nfs/dbraw/zinc/53/06/76/176530676.db2.gz MNJLLTWPCVJZCS-NSHDSACASA-N 1 0 232.291 0.528 10 0 BCAERO C[C@H](C(N)=O)N(CC[NH3+])Cc1ccccc1 ZINC000038033191 176588737 /nfs/dbraw/zinc/58/87/37/176588737.db2.gz BEZDMHRQUAQBRN-SNVBAGLBSA-N 1 0 221.304 0.321 10 0 BCAERO C[C@H](C[NH3+])CC(=O)NC[C@H]1CCCO1 ZINC000076582744 176657612 /nfs/dbraw/zinc/65/76/12/176657612.db2.gz GBDOOJMQMNAXIV-DTWKUNHWSA-N 1 0 200.282 0.267 10 0 BCAERO C[C@H](C[NH3+])N1C(=O)C[C@H](c2ccccc2)C1=O ZINC000104215729 176660527 /nfs/dbraw/zinc/66/05/27/176660527.db2.gz MQDXHIZPAISXIH-MWLCHTKSSA-N 1 0 232.283 0.876 10 0 BCAERO C[C@H]([NH3+])C(=O)Nc1cccc2c1CNC2=O ZINC000089210885 176754233 /nfs/dbraw/zinc/75/42/33/176754233.db2.gz AVLFSJHFRUVXBI-LURJTMIESA-N 1 0 219.244 0.216 10 0 BCAERO C[C@H]([NH3+])CC(=O)N1CCCC[C@@H]1CO ZINC000037476346 176755538 /nfs/dbraw/zinc/75/55/38/176755538.db2.gz OPEPGBKJUGGWNZ-DTWKUNHWSA-N 1 0 200.282 0.097 10 0 BCAERO C[C@H]([NH3+])Cc1nc(-c2ncccn2)no1 ZINC000036814739 176762773 /nfs/dbraw/zinc/76/27/73/176762773.db2.gz ZCTKZFYCRKGHRP-LURJTMIESA-N 1 0 205.221 0.416 10 0 BCAERO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C1=COCCO1 ZINC000063193692 176765940 /nfs/dbraw/zinc/76/59/40/176765940.db2.gz ZDVYKMSNJOQAMN-UWVGGRQHSA-N 1 0 240.303 0.603 10 0 BCAERO C[C@H]([NH3+])[C@H](c1ccccc1)N1CCNC(=O)C1 ZINC000042900699 176771237 /nfs/dbraw/zinc/77/12/37/176771237.db2.gz YDZVBULBRAYDEC-GXFFZTMASA-N 1 0 233.315 0.507 10 0 BCAERO C[C@H]([NH2+]C(CO)CO)c1cccc(F)c1 ZINC000083691585 176824237 /nfs/dbraw/zinc/82/42/37/176824237.db2.gz OJFAWFDNBGCKNW-QMMMGPOBSA-N 1 0 213.252 0.830 10 0 BCAERO C[C@H](NS(C)(=O)=O)[C@H]1CCCC[NH2+]1 ZINC000035691706 176886483 /nfs/dbraw/zinc/88/64/83/176886483.db2.gz HHAQXVFMXVQYHA-JGVFFNPUSA-N 1 0 206.311 0.066 10 0 BCAERO C[C@H]([NH2+][C@H]1CC(=O)NC1=O)c1ccsc1 ZINC000061361956 176918209 /nfs/dbraw/zinc/91/82/09/176918209.db2.gz DKMCAPVXGIUZBV-XPUUQOCRSA-N 1 0 224.285 0.814 10 0 BCAERO C[C@H]([NH2+][C@H]1CCS(=O)(=O)C1)C1CC1 ZINC000019899984 176926070 /nfs/dbraw/zinc/92/60/70/176926070.db2.gz HOLURNWCNDNLEP-CBAPKCEASA-N 1 0 203.307 0.562 10 0 BCAERO C[C@H](O)[C@H]([NH3+])c1ccc2c(c1)OCCO2 ZINC000041218300 177013432 /nfs/dbraw/zinc/01/34/32/177013432.db2.gz QUVCLCHCDNQYPA-CPCISQLKSA-N 1 0 209.245 0.838 10 0 BCAERO C[C@H](OC[C@@H]1CCC[NH2+]1)C(=O)N1CCOCC1 ZINC000051816267 177021137 /nfs/dbraw/zinc/02/11/37/177021137.db2.gz AVHNICDGKVCULO-QWRGUYRKSA-N 1 0 242.319 0.002 10 0 BCAERO C[C@H](OC[C@H]1CCC[NH2+]1)C(=O)N1CCOCC1 ZINC000051816269 177021412 /nfs/dbraw/zinc/02/14/12/177021412.db2.gz AVHNICDGKVCULO-WDEREUQCSA-N 1 0 242.319 0.002 10 0 BCAERO C[C@H]([C@H]1CCC[NH2+]C1)N1CCCS1(=O)=O ZINC000035688595 177031828 /nfs/dbraw/zinc/03/18/28/177031828.db2.gz CNUZMNWDMUMCPT-ZJUUUORDSA-N 1 0 232.349 0.410 10 0 BCAERO C[C@H]([C@H]1CCCC[NH2+]1)N1CCCS1(=O)=O ZINC000035688656 177031961 /nfs/dbraw/zinc/03/19/61/177031961.db2.gz ONPURDMHEMKNNP-NXEZZACHSA-N 1 0 232.349 0.553 10 0 BCAERO CC(C)(C)[C@@H](O)CNC(=O)[C@@H]([NH3+])CC(F)F ZINC000324645067 487636729 /nfs/dbraw/zinc/63/67/29/487636729.db2.gz YNGFYYLEAQSQRZ-BQBZGAKWSA-N 1 0 238.278 0.492 10 0 BCAERO C[C@H]1CCCC[N@@H+]1CCCNCC(=O)N(C)C ZINC000020047841 177076003 /nfs/dbraw/zinc/07/60/03/177076003.db2.gz KTNRPLFQGIVFIU-LBPRGKRZSA-N 1 0 241.379 0.929 10 0 BCAERO C[C@H]1CCC[C@@H](S(=O)(=O)CC[NH3+])C1 ZINC000054688620 177123509 /nfs/dbraw/zinc/12/35/09/177123509.db2.gz FQOIEEXUCPNWLM-DTWKUNHWSA-N 1 0 205.323 0.939 10 0 BCAERO C[C@@H](C(=O)N1CCC[C@H](C)C1)N1CC[NH2+]CC1 ZINC000019977225 177093297 /nfs/dbraw/zinc/09/32/97/177093297.db2.gz NLJLGRZCGRBJLZ-RYUDHWBXSA-N 1 0 239.363 0.539 10 0 BCAERO C[C@H]1CCCN1CC[NH2+][C@@H]1CCS(=O)(=O)C1 ZINC000053343174 177108868 /nfs/dbraw/zinc/10/88/68/177108868.db2.gz YHCDHZNTQXNHCH-WDEREUQCSA-N 1 0 246.376 0.247 10 0 BCAERO C[C@H]1CCC[C@@H](CNC(=O)c2ccnn2C)[NH2+]1 ZINC000061665452 177118967 /nfs/dbraw/zinc/11/89/67/177118967.db2.gz BMNNLRKEOCESCF-UWVGGRQHSA-N 1 0 236.319 0.681 10 0 BCAERO C[C@H]1CCC[C@@H](CN2C(=O)CCC2=O)[NH2+]1 ZINC000051574917 177119380 /nfs/dbraw/zinc/11/93/80/177119380.db2.gz TUEHHKFOJRFRLL-IUCAKERBSA-N 1 0 210.277 0.666 10 0 BCAERO C[C@H]1CCC[C@@H]([NH3+])[C@@H]1C(=O)N1CCCOCC1 ZINC000061940164 177121325 /nfs/dbraw/zinc/12/13/25/177121325.db2.gz NNIFLIZHEHCIMI-QJPTWQEYSA-N 1 0 240.347 0.999 10 0 BCAERO C[C@H]1[C@H](NS(=O)(=O)CC[NH3+])CCC[C@@H]1C ZINC000019256493 177123109 /nfs/dbraw/zinc/12/31/09/177123109.db2.gz ZACOIGMLQRGQNW-IVZWLZJFSA-N 1 0 234.365 0.689 10 0 BCAERO C[C@H]1CCC[C@@](C[NH3+])(N2C(=O)COCC2=O)C1 ZINC000104310169 177127985 /nfs/dbraw/zinc/12/79/85/177127985.db2.gz QBABCCYTVJPAMT-JOYOIKCWSA-N 1 0 240.303 0.279 10 0 BCAERO C[C@H]1CCC[C@H](C)C1[NH2+]CCS(N)(=O)=O ZINC000036745441 177130500 /nfs/dbraw/zinc/13/05/00/177130500.db2.gz IIQURWOYSNSJOK-IUCAKERBSA-N 1 0 234.365 0.689 10 0 BCAERO C[C@@H]1[C@@H](C)CCC[C@@H]1[NH2+]CC(=O)NC(N)=O ZINC000020055179 177136797 /nfs/dbraw/zinc/13/67/97/177136797.db2.gz JKRWYFDDPVHSLP-YIZRAAEISA-N 1 0 227.308 0.596 10 0 BCAERO C[C@H]1CCC[C@H](NS(=O)(=O)CC[NH3+])C1 ZINC000037115704 177137200 /nfs/dbraw/zinc/13/72/00/177137200.db2.gz FZURGLGERYQWPZ-IUCAKERBSA-N 1 0 220.338 0.443 10 0 BCAERO C[C@H]1CCN(C(=O)C(F)(F)F)CC[NH2+]1 ZINC000062570227 177145233 /nfs/dbraw/zinc/14/52/33/177145233.db2.gz AMTSGVWGENGTHE-LURJTMIESA-N 1 0 210.199 0.759 10 0 BCAERO C[C@H]1CCN(C(=O)C2(C[NH3+])CCOCC2)C1 ZINC000044763187 177145893 /nfs/dbraw/zinc/14/58/93/177145893.db2.gz HUSWUSISYBAISK-JTQLQIEISA-N 1 0 226.320 0.610 10 0 BCAERO C[C@@H](C(=O)N1CC[C@H](C)C1)N1CC[NH2+]CC1 ZINC000040725558 177152378 /nfs/dbraw/zinc/15/23/78/177152378.db2.gz UHMFQEZDLZEUFR-QWRGUYRKSA-N 1 0 225.336 0.149 10 0 BCAERO C[C@H]1CCN(CCCC(=O)N(C)C)[C@H](C[NH3+])C1 ZINC000104418240 177158070 /nfs/dbraw/zinc/15/80/70/177158070.db2.gz UJTFXQRCYJJNAH-RYUDHWBXSA-N 1 0 241.379 0.914 10 0 BCAERO C[C@H]1CCN(CCC(=O)N(C)C)[C@@H](C[NH3+])C1 ZINC000224842902 177159116 /nfs/dbraw/zinc/15/91/16/177159116.db2.gz YIOAISQEVXRNIV-WDEREUQCSA-N 1 0 227.352 0.524 10 0 BCAERO C[C@H]1CCN(CCn2cccn2)[C@@H](C[NH3+])C1 ZINC000224848353 177161517 /nfs/dbraw/zinc/16/15/17/177161517.db2.gz QQRGZZUQSFSFNM-NWDGAFQWSA-N 1 0 222.336 0.942 10 0 BCAERO C[C@H]1CC[C@H](CN2C(=O)CCC2=O)C[NH2+]1 ZINC000062037663 177201841 /nfs/dbraw/zinc/20/18/41/177201841.db2.gz IZWNABBFIRMEGI-IUCAKERBSA-N 1 0 210.277 0.524 10 0 BCAERO C[C@H]1CC[C@H](CNC(=O)NC2CC2)C[NH2+]1 ZINC000062037380 177202001 /nfs/dbraw/zinc/20/20/01/177202001.db2.gz DCOXBGQUYJISQA-IUCAKERBSA-N 1 0 211.309 0.836 10 0 BCAERO C[C@H]1CC[C@H](CNS(=O)(=O)C(F)F)C[NH2+]1 ZINC000062037448 177202572 /nfs/dbraw/zinc/20/25/72/177202572.db2.gz QBNVROMQFVTKLE-BQBZGAKWSA-N 1 0 242.291 0.517 10 0 BCAERO C[C@H](C(=O)N1CCO[C@@H](C)C1)C1C[NH2+]C1 ZINC000129029868 177222290 /nfs/dbraw/zinc/22/22/90/177222290.db2.gz NIGLLIUSHUWMMR-IUCAKERBSA-N 1 0 212.293 0.089 10 0 BCAERO C[C@H]1CN(C(=O)[C@@H]2CC[NH2+]C2)[C@@H](C)CO1 ZINC000062112878 177222732 /nfs/dbraw/zinc/22/27/32/177222732.db2.gz FSEFLLAKFPOVLP-LPEHRKFASA-N 1 0 212.293 0.232 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000235662079 177223019 /nfs/dbraw/zinc/22/30/19/177223019.db2.gz SGHBNOLHNCWVAJ-VPOLOUISSA-N 1 0 226.320 0.478 10 0 BCAERO C[C@H]1CN(C(=O)[C@@H]2CCCC[NH2+]2)C[C@H](C)O1 ZINC000036998866 177223268 /nfs/dbraw/zinc/22/32/68/177223268.db2.gz AHOAANZCHLOTSA-DCAQKATOSA-N 1 0 226.320 0.764 10 0 BCAERO C[C@H]1CN(C(=O)[C@@H]2CC[C@H](C[NH3+])O2)C[C@H](C)O1 ZINC000094562551 177223447 /nfs/dbraw/zinc/22/34/47/177223447.db2.gz GRFFHNQNTCVJPD-MMWGEVLESA-N 1 0 242.319 0.129 10 0 BCAERO C[C@@H]1CN(C(=O)[C@H]2CC[C@H]([NH3+])C2)C[C@H](C)O1 ZINC000133242984 177225152 /nfs/dbraw/zinc/22/51/52/177225152.db2.gz CAHOPMORROQYFW-VLEAKVRGSA-N 1 0 226.320 0.750 10 0 BCAERO C[C@H]1CN(C2(C[NH3+])CCOCC2)CCO1 ZINC000036304795 177240116 /nfs/dbraw/zinc/24/01/16/177240116.db2.gz IPWVXFREPLNKEW-JTQLQIEISA-N 1 0 214.309 0.215 10 0 BCAERO C[C@H]1CN(C2(C[NH3+])CCOCC2)C[C@H](C)O1 ZINC000036304781 177241224 /nfs/dbraw/zinc/24/12/24/177241224.db2.gz FSVTZBRAAJUWOZ-QWRGUYRKSA-N 1 0 228.336 0.604 10 0 BCAERO C[C@H]1CN(C2CCS(=O)(=O)CC2)CC[C@@H]1[NH3+] ZINC000049711437 177242907 /nfs/dbraw/zinc/24/29/07/177242907.db2.gz KDBFUNXKEKCRMM-ONGXEEELSA-N 1 0 246.376 0.233 10 0 BCAERO C[C@H]1CN(CC(=O)NC(C)(C)C)C[C@@H]1[NH3+] ZINC000235576225 177244388 /nfs/dbraw/zinc/24/43/88/177244388.db2.gz DZRZHSYJVAGCNA-IUCAKERBSA-N 1 0 213.325 0.180 10 0 BCAERO C[C@H]1C[N@H+](C[C@]2(CO)CCCOC2)CCN1C ZINC000104321461 177259501 /nfs/dbraw/zinc/25/95/01/177259501.db2.gz JKVNFYGQAQXPEV-STQMWFEESA-N 1 0 242.363 0.411 10 0 BCAERO C[C@H]1CN(C[C@H](O)C[N@H+](C)C2CC2)CCS1 ZINC000309365166 177259728 /nfs/dbraw/zinc/25/97/28/177259728.db2.gz DPCQEHAZQVLCCE-CMPLNLGQSA-N 1 0 244.404 0.879 10 0 BCAERO C[C@H]1CN(Cc2ccc(Cl)nn2)CC[NH2+]1 ZINC000095069490 177261999 /nfs/dbraw/zinc/26/19/99/177261999.db2.gz LQTUTSWTRUXXJJ-QMMMGPOBSA-N 1 0 226.711 0.924 10 0 BCAERO C[C@H]1CN(Cc2ncc[nH]2)C[C@@H]1[NH+](C)C ZINC000271563839 177271974 /nfs/dbraw/zinc/27/19/74/177271974.db2.gz NTAIFVHYYZPQTO-UWVGGRQHSA-N 1 0 208.309 0.792 10 0 BCAERO C[C@H]1CN(S(=O)(=O)CC(C)(C)C)C[C@@H]1[NH3+] ZINC000235610134 177272861 /nfs/dbraw/zinc/27/28/61/177272861.db2.gz WAXSUPNNJQLYRU-IUCAKERBSA-N 1 0 234.365 0.641 10 0 BCAERO C[C@@H]1CN([C@@H](C[NH3+])[C@@H]2CCOC2)C[C@H](C)O1 ZINC000022214922 177273627 /nfs/dbraw/zinc/27/36/27/177273627.db2.gz YXHORAQDEFIIMO-KXNHARMFSA-N 1 0 228.336 0.459 10 0 BCAERO C[C@H]1CN([C@]2(C[NH3+])CCSC2)CCCO1 ZINC000061916204 177276158 /nfs/dbraw/zinc/27/61/58/177276158.db2.gz HSMQHRXNXLFLJN-QWRGUYRKSA-N 1 0 230.377 0.932 10 0 BCAERO C[C@H]1CN(c2ncc(C[NH3+])s2)CCO1 ZINC000054864323 177278582 /nfs/dbraw/zinc/27/85/82/177278582.db2.gz PUWVUVHZOKNGFF-ZETCQYMHSA-N 1 0 213.306 0.827 10 0 BCAERO C[C@H]1C[NH+]=C(NC[C@H]2COCCO2)S1 ZINC000038062802 177281428 /nfs/dbraw/zinc/28/14/28/177281428.db2.gz CQJJHFKZUOLYNC-YUMQZZPRSA-N 1 0 216.306 0.483 10 0 BCAERO C[C@H]1C[NH+]=C(N[C@@]2(C)CCS(=O)(=O)C2)S1 ZINC000044931824 177281654 /nfs/dbraw/zinc/28/16/54/177281654.db2.gz QAVRJLXTZCVZQT-CBAPKCEASA-N 1 0 248.373 0.645 10 0 BCAERO C[C@H]1C[NH+]=C(N[C@H]2CCS(=O)(=O)C2)S1 ZINC000035294823 177282026 /nfs/dbraw/zinc/28/20/26/177282026.db2.gz GETRIIZLPPKSAR-BQBZGAKWSA-N 1 0 234.346 0.254 10 0 BCAERO C[C@H]1C[NH2+]CCN1C[C@@H]1CCOCO1 ZINC000054373739 177284230 /nfs/dbraw/zinc/28/42/30/177284230.db2.gz RYNXWDXPLBIING-UWVGGRQHSA-N 1 0 200.282 0.043 10 0 BCAERO C[C@@H](C(=O)NC1CCCC1)N1CC[NH2+]C[C@@H]1C ZINC000054374370 177284777 /nfs/dbraw/zinc/28/47/77/177284777.db2.gz ROVYCLLKBJYCLE-QWRGUYRKSA-N 1 0 239.363 0.727 10 0 BCAERO C[C@H]1COCCN1C(=O)CC[NH2+]C1CC1 ZINC000037478346 177289491 /nfs/dbraw/zinc/28/94/91/177289491.db2.gz YPBJGFYZTCVTRS-VIFPVBQESA-N 1 0 212.293 0.376 10 0 BCAERO C[C@H]1COCCN1[C@]1(C[NH3+])CCSC1 ZINC000035774884 177293840 /nfs/dbraw/zinc/29/38/40/177293840.db2.gz CETQUNARPZAXDN-UWVGGRQHSA-N 1 0 216.350 0.542 10 0 BCAERO C[C@H]1COCCN1C(=O)[C@@H]1CCCC[NH2+]1 ZINC000035776665 177289741 /nfs/dbraw/zinc/28/97/41/177289741.db2.gz LPTIVWZSPSMVLC-UWVGGRQHSA-N 1 0 212.293 0.376 10 0 BCAERO C[C@H]1COCCN1C(=O)[C@@H]([NH3+])c1ccccc1 ZINC000035776567 177289904 /nfs/dbraw/zinc/28/99/04/177289904.db2.gz LTLIVPCTIXIOAT-JQWIXIFHSA-N 1 0 234.299 0.934 10 0 BCAERO C[C@H]1COCCN1[C@@H](C[NH3+])c1ccncc1 ZINC000043353459 177293307 /nfs/dbraw/zinc/29/33/07/177293307.db2.gz UXVIFZMJTCUUAX-JQWIXIFHSA-N 1 0 221.304 0.802 10 0 BCAERO C[C@H]1COC[C@H](C)N1C(=O)CCC[NH3+] ZINC000237635784 177298808 /nfs/dbraw/zinc/29/88/08/177298808.db2.gz OPMLFYYRKBJLES-IUCAKERBSA-N 1 0 200.282 0.361 10 0 BCAERO C[C@H]1CSCCN1C(=O)[C@H]1CC[NH2+]C1 ZINC000069761849 177304777 /nfs/dbraw/zinc/30/47/77/177304777.db2.gz OXEOTIOQHMCZDZ-IUCAKERBSA-N 1 0 214.334 0.560 10 0 BCAERO C[C@H]1C[C@@H]1NC(=O)c1ccnc(C[NH3+])c1 ZINC000130251626 177349263 /nfs/dbraw/zinc/34/92/63/177349263.db2.gz ABNKSHAWTXDCJY-XVKPBYJWSA-N 1 0 205.261 0.679 10 0 BCAERO C[C@H]1NC(=O)CC[C@@H]1[NH2+]CCCCF ZINC000336652175 177393288 /nfs/dbraw/zinc/39/32/88/177393288.db2.gz KLLZUFDTFDYQSN-BDAKNGLRSA-N 1 0 202.273 0.993 10 0 BCAERO C[C@H]1NC(=O)CC[C@@H]1[NH2+]Cc1cc[nH]n1 ZINC000309117043 177393453 /nfs/dbraw/zinc/39/34/53/177393453.db2.gz LYPZLARLCUJMEK-APPZFPTMSA-N 1 0 208.265 0.166 10 0 BCAERO C[C@H]1NC(=O)CC[C@H]1[NH2+]Cc1ccn(C)n1 ZINC000336737243 177393824 /nfs/dbraw/zinc/39/38/24/177393824.db2.gz JHKRTDQGUYXYKO-PSASIEDQSA-N 1 0 222.292 0.177 10 0 BCAERO C[C@H]1NC(=O)CC[C@H]1[NH2+]CC1CCOCC1 ZINC000309380079 177394045 /nfs/dbraw/zinc/39/40/45/177394045.db2.gz DDVSOSOBQGRNOJ-MWLCHTKSSA-N 1 0 226.320 0.670 10 0 BCAERO C[C@H]1NC(=O)CC[C@H]1[NH2+]Cc1ccccn1 ZINC000335605227 177394088 /nfs/dbraw/zinc/39/40/88/177394088.db2.gz BYJLTBISYINHHC-MWLCHTKSSA-N 1 0 219.288 0.838 10 0 BCAERO C[C@H]1NC(=O)CC[C@H]1[NH2+]CC1(O)CCC1 ZINC000309149443 177394280 /nfs/dbraw/zinc/39/42/80/177394280.db2.gz WBGMWBKHAJCHRQ-RKDXNWHRSA-N 1 0 212.293 0.158 10 0 BCAERO C[C@H]1[NH2+]CCC[C@@H]1C(=O)Nc1cn[nH]c1 ZINC000335594276 177395081 /nfs/dbraw/zinc/39/50/81/177395081.db2.gz XMJQQXUUXIVENB-APPZFPTMSA-N 1 0 208.265 0.736 10 0 BCAERO C[C@H]1[NH2+]CCC[C@@H]1C(=O)NCc1ncc[nH]1 ZINC000335593662 177395169 /nfs/dbraw/zinc/39/51/69/177395169.db2.gz JXVWRTWKASDCRA-BDAKNGLRSA-N 1 0 222.292 0.414 10 0 BCAERO C[C@H]1[NH2+]CCC[C@H]1NC(=O)c1ccccn1 ZINC000129489339 177396911 /nfs/dbraw/zinc/39/69/11/177396911.db2.gz WHGSHNULXHYJKV-NXEZZACHSA-N 1 0 219.288 0.952 10 0 BCAERO C[C@H]1OCC[C@H]1[NH2+]C[C@@H]1CN(C)CCO1 ZINC000096034108 177407109 /nfs/dbraw/zinc/40/71/09/177407109.db2.gz AIQIJWFGFYLBPQ-GMTAPVOTSA-N 1 0 214.309 0.084 10 0 BCAERO C[C@]1(C(=O)NC[C@H]2CCC[C@H]2O)CCC[NH2+]C1 ZINC000250805140 177455716 /nfs/dbraw/zinc/45/57/16/177455716.db2.gz QSXXWHFFCTURTI-WZRBSPASSA-N 1 0 240.347 0.653 10 0 BCAERO Cc1c(C[NH2+]CCN2CCC2)cnn1C ZINC000309073669 177590374 /nfs/dbraw/zinc/59/03/74/177590374.db2.gz HUCAWLHYNIMQKR-UHFFFAOYSA-N 1 0 208.309 0.524 10 0 BCAERO c1nnc2c(NC[C@@H]3CCCC[NH2+]3)nccn12 ZINC000079471045 487647999 /nfs/dbraw/zinc/64/79/99/487647999.db2.gz ZUUCIEBIWFMSJI-VIFPVBQESA-N 1 0 232.291 0.678 10 0 BCAERO CO[C@H]1C[C@@H](CO)[N@H+](C[C@@H]2CCCO2)C1 ZINC000495466779 226281358 /nfs/dbraw/zinc/28/13/58/226281358.db2.gz QZARUOSHPIIMJO-DCAQKATOSA-N 1 0 215.293 0.247 10 0 BCAERO Cc1cnn(CCN[C@@H](C)[C@@H]2CCC[NH2+]2)c1 ZINC000400483600 226344517 /nfs/dbraw/zinc/34/45/17/226344517.db2.gz CRGBVLARAHNMJU-RYUDHWBXSA-N 1 0 222.336 0.922 10 0 BCAERO CCCN1CC[C@H]([NH2+]CC2(O)CCOCC2)C1 ZINC000328445294 487665843 /nfs/dbraw/zinc/66/58/43/487665843.db2.gz BRNJCHWDLASQCG-LBPRGKRZSA-N 1 0 242.363 0.602 10 0 BCAERO CSCCC[NH2+]CC1(O)CCOCC1 ZINC000088033768 322938317 /nfs/dbraw/zinc/93/83/17/322938317.db2.gz BQBKSHUWPJBGOT-UHFFFAOYSA-N 1 0 219.350 0.871 10 0 BCAERO CN1CCO[C@@H](C[N@H+](C)CC2(O)CCC2)C1 ZINC000675069214 487667438 /nfs/dbraw/zinc/66/74/38/487667438.db2.gz RDZCFVDHRLFBNG-LLVKDONJSA-N 1 0 228.336 0.164 10 0 BCAERO CC[C@@H]1CCN(C(=O)[C@H]2C[C@@H](OC)C[NH2+]2)C1 ZINC000228508637 487668227 /nfs/dbraw/zinc/66/82/27/487668227.db2.gz PKZNAOFDHQLWNB-GMTAPVOTSA-N 1 0 226.320 0.622 10 0 BCAERO CCN(CC[NH3+])c1ccccc1S(C)(=O)=O ZINC000082591979 487685950 /nfs/dbraw/zinc/68/59/50/487685950.db2.gz ATETWOASBJUQKS-UHFFFAOYSA-N 1 0 242.344 0.875 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N(C)CC1=CCCOC1 ZINC000662662321 487687689 /nfs/dbraw/zinc/68/76/89/487687689.db2.gz PYLSWIUYPFFXCO-NSHDSACASA-N 1 0 226.320 0.919 10 0 BCAERO CN(CC1=CCCOC1)C(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000662662267 487687513 /nfs/dbraw/zinc/68/75/13/487687513.db2.gz OTKANKVURDHRIO-VXGBXAGGSA-N 1 0 238.331 0.919 10 0 BCAERO OC[C@H]1C[C@@H](O)C[N@@H+]1CCCC1CCC1 ZINC000660147895 487694879 /nfs/dbraw/zinc/69/48/79/487694879.db2.gz JJOXDFYRNXHHHW-VXGBXAGGSA-N 1 0 213.321 0.994 10 0 BCAERO COC[C@H]([NH3+])C(=O)N(C)[C@H](C)C1CC1 ZINC000088002913 487697989 /nfs/dbraw/zinc/69/79/89/487697989.db2.gz OTPSJEAGBBFREI-APPZFPTMSA-N 1 0 200.282 0.217 10 0 BCAERO COC[C@@H]([NH3+])C(=O)Nc1cnn(C(C)C)c1 ZINC000088004189 487698284 /nfs/dbraw/zinc/69/82/84/487698284.db2.gz QSERFVWLLHJLBT-SECBINFHSA-N 1 0 226.280 0.376 10 0 BCAERO O=C(N[C@@H]1C[C@H]2CC[C@@H]1O2)[C@H]1CCC[NH2+]C1 ZINC000088033525 487699458 /nfs/dbraw/zinc/69/94/58/487699458.db2.gz QTFDBFMHBYPIBM-ZDCRXTMVSA-N 1 0 224.304 0.422 10 0 BCAERO O=C(N[C@@H]1CCC[C@H](O)C1)[C@H]1CCC[NH2+]C1 ZINC000088032219 487699526 /nfs/dbraw/zinc/69/95/26/487699526.db2.gz CUBSTJGNHJTPLL-AXFHLTTASA-N 1 0 226.320 0.406 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N1CCOCC1 ZINC000084308487 487704984 /nfs/dbraw/zinc/70/49/84/487704984.db2.gz WBYYZAQYOUCBGO-UWVGGRQHSA-N 1 0 212.293 0.220 10 0 BCAERO Cc1c(CNC[C@H]2CCCC[NH2+]2)cnn1C ZINC000226302425 487707603 /nfs/dbraw/zinc/70/76/03/487707603.db2.gz PHSHFIRLOPEIAK-GFCCVEGCSA-N 1 0 222.336 0.960 10 0 BCAERO C[C@H](O)C1CCN(C(=O)[C@@H]2CCC[C@@H]2[NH3+])CC1 ZINC000226332257 487712956 /nfs/dbraw/zinc/71/29/56/487712956.db2.gz VKSDLWLKXDNEAQ-WCQGTBRESA-N 1 0 240.347 0.733 10 0 BCAERO O=C1C[C@H]([NH2+]CC[C@@H]2CCCO2)CCCN1 ZINC000082667425 487714447 /nfs/dbraw/zinc/71/44/47/487714447.db2.gz MXINTVGAHRGRFV-MNOVXSKESA-N 1 0 226.320 0.814 10 0 BCAERO C[C@@H](NC(=O)COC1(C)C[NH2+]C1)[C@@H]1CCCO1 ZINC000098061029 487719365 /nfs/dbraw/zinc/71/93/65/487719365.db2.gz XQICHHQWCMHRSU-ZJUUUORDSA-N 1 0 242.319 0.049 10 0 BCAERO Cn1cc([C@@H]2CCCN2C(=O)C[NH2+]C2CC2)cn1 ZINC000154650914 487722773 /nfs/dbraw/zinc/72/27/73/487722773.db2.gz NOUIHWZPKOPRRM-LBPRGKRZSA-N 1 0 248.330 0.836 10 0 BCAERO Cc1ccc(NC(=O)[C@H]2C[NH2+]CCOC2)c(C)n1 ZINC000649301713 487728360 /nfs/dbraw/zinc/72/83/60/487728360.db2.gz PWVOEZBISYIYEM-NSHDSACASA-N 1 0 249.314 0.873 10 0 BCAERO CCCNC(=O)CCNC(=O)C[C@@H]([NH3+])C(C)C ZINC000136446601 487736280 /nfs/dbraw/zinc/73/62/80/487736280.db2.gz ZVRPZDSJJNFSNR-SNVBAGLBSA-N 1 0 243.351 0.392 10 0 BCAERO [NH3+][C@@H]1CCC[C@@H]1C(=O)N[C@@H]1CCC[C@H](O)C1 ZINC000250629270 487736308 /nfs/dbraw/zinc/73/63/08/487736308.db2.gz CMQWBDHFFKHEQA-VPOLOUISSA-N 1 0 226.320 0.534 10 0 BCAERO CC(C)[C@@H]([NH3+])CC(=O)N(C)C[C@H]1CCOC1 ZINC000398913960 487736651 /nfs/dbraw/zinc/73/66/51/487736651.db2.gz IXXNKRPVFJMQDT-MNOVXSKESA-N 1 0 228.336 0.855 10 0 BCAERO CC(C)[C@@H]([NH3+])CC(=O)N[C@H]1CCC(=O)N(C)C1 ZINC000136472665 487737086 /nfs/dbraw/zinc/73/70/86/487737086.db2.gz HYYXTHFTLFMARX-UWVGGRQHSA-N 1 0 241.335 0.097 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)NC[C@H]1CCCO1 ZINC000250657079 487737762 /nfs/dbraw/zinc/73/77/62/487737762.db2.gz OIDAWEMTAWZJLU-HBNTYKKESA-N 1 0 226.320 0.657 10 0 BCAERO C[C@H](NC(=O)[C@@H]1CC[C@@H]([NH3+])C1)c1nc[nH]n1 ZINC000226408740 487738592 /nfs/dbraw/zinc/73/85/92/487738592.db2.gz LXEHTCXGQZUVNR-XLPZGREQSA-N 1 0 223.280 0.109 10 0 BCAERO [NH3+][C@@H]1CCC[C@@H]1C(=O)NC[C@H]1CCC[C@@H]1O ZINC000250668606 487738379 /nfs/dbraw/zinc/73/83/79/487738379.db2.gz SWJLYZWDUDUBLP-YTWAJWBKSA-N 1 0 226.320 0.391 10 0 BCAERO CCOc1cc(N2C[C@H]([NH3+])[C@@H](C)C2)nc(C)n1 ZINC000233788713 487742705 /nfs/dbraw/zinc/74/27/05/487742705.db2.gz CTFVXUFLLZNABL-WPRPVWTQSA-N 1 0 236.319 0.967 10 0 BCAERO CC[C@H](C)N(CC)C(=O)[C@H]([NH3+])COC ZINC000088002674 487748175 /nfs/dbraw/zinc/74/81/75/487748175.db2.gz LVYGBHPNYZUOPG-DTWKUNHWSA-N 1 0 202.298 0.607 10 0 BCAERO O[C@H]1CCC[C@@H]1[NH2+]CC1(O)CCOCC1 ZINC000088034368 487749671 /nfs/dbraw/zinc/74/96/71/487749671.db2.gz WOQHFMIDOMSENI-UWVGGRQHSA-N 1 0 215.293 0.031 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)NC[C@@H]1CCC[C@H]1O ZINC000251315196 487753712 /nfs/dbraw/zinc/75/37/12/487753712.db2.gz LCAPTKXKSLNXKY-HBNTYKKESA-N 1 0 228.336 0.637 10 0 BCAERO CC[N@@H+]1CC[C@H](Nc2ncnc3c2ncn3C)C1 ZINC000665752110 487761441 /nfs/dbraw/zinc/76/14/41/487761441.db2.gz KYNBHFNRQWMHHT-VIFPVBQESA-N 1 0 246.318 0.869 10 0 BCAERO [NH3+]C[C@H]1CCC[C@@H]1Nc1ncnc2nc[nH]c21 ZINC000089092151 487761549 /nfs/dbraw/zinc/76/15/49/487761549.db2.gz SGVQBIPZVUJOFR-SFYZADRCSA-N 1 0 232.291 0.892 10 0 BCAERO [NH3+]C[C@H](NC(=O)[C@@H]1C[C@H]2C[C@H]2C1)C1CC1 ZINC000251526521 487765434 /nfs/dbraw/zinc/76/54/34/487765434.db2.gz XGAWSYULADJUIO-VLEAKVRGSA-N 1 0 208.305 0.886 10 0 BCAERO [NH3+]CCCCC(=O)NC[C@H]1CCCC[C@H]1O ZINC000082995374 487769136 /nfs/dbraw/zinc/76/91/36/487769136.db2.gz WPJQSXYYTBKXEB-GHMZBOCLSA-N 1 0 228.336 0.783 10 0 BCAERO C[C@@H](O)CC[NH2+]C[C@H](O)C(F)(F)F ZINC000082996436 487769386 /nfs/dbraw/zinc/76/93/86/487769386.db2.gz FVRLEGUQCBVTSD-RITPCOANSA-N 1 0 201.188 0.270 10 0 BCAERO O=C(C[NH2+]C1CC1)NC[C@@H]1CCCC[C@@H]1O ZINC000082995168 487769757 /nfs/dbraw/zinc/76/97/57/487769757.db2.gz UVLMDSCMMOJSDE-ONGXEEELSA-N 1 0 226.320 0.406 10 0 BCAERO C[C@H](NC(=O)[C@@]1(C)CCC[NH2+]1)[C@H]1CCCO1 ZINC000251669131 487785366 /nfs/dbraw/zinc/78/53/66/487785366.db2.gz UXFUBGLVCSIOTJ-HOSYDEDBSA-N 1 0 226.320 0.812 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC000385578675 487790479 /nfs/dbraw/zinc/79/04/79/487790479.db2.gz SHVPYKONVGXTFK-FBDQPXRJSA-N 1 0 224.304 0.122 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)N[C@H]2CCC[C@@H]2C[NH3+])O1 ZINC000251923144 487807795 /nfs/dbraw/zinc/80/77/95/487807795.db2.gz UTJKWXOWJOIYSE-CHWFTXMASA-N 1 0 226.320 0.798 10 0 BCAERO CC(C)NC(=O)CNC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000089450587 487818014 /nfs/dbraw/zinc/81/80/14/487818014.db2.gz GWMZBFSMUMXAAR-UWVGGRQHSA-N 1 0 241.335 0.002 10 0 BCAERO Cn1cc(NC(=O)[C@H]2CCC[C@@H]2C[NH3+])ccc1=O ZINC000089455033 487819076 /nfs/dbraw/zinc/81/90/76/487819076.db2.gz PSAWIEOGHRIGSS-KOLCDFICSA-N 1 0 249.314 0.699 10 0 BCAERO Cc1noc(CNC(=O)[C@H]2CCC[C@H]2C[NH3+])n1 ZINC000089458165 487819655 /nfs/dbraw/zinc/81/96/55/487819655.db2.gz ZIGXTMZLIUFDSE-IUCAKERBSA-N 1 0 238.291 0.369 10 0 BCAERO Cc1nccc(CNC(=O)[C@H]2CCC[C@H]2C[NH3+])n1 ZINC000089458178 487819707 /nfs/dbraw/zinc/81/97/07/487819707.db2.gz FLUXBWAMZHBKBJ-JQWIXIFHSA-N 1 0 248.330 0.776 10 0 BCAERO [NH3+]C[C@H]1CCC[C@@H]1C(=O)NCCn1cccn1 ZINC000089460437 487821665 /nfs/dbraw/zinc/82/16/65/487821665.db2.gz NNBVUIFYYXULBZ-MNOVXSKESA-N 1 0 236.319 0.374 10 0 BCAERO CN(Cc1ncc[nH]1)C(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000089463206 487822979 /nfs/dbraw/zinc/82/29/79/487822979.db2.gz HFHLTVZTPBQXQE-UWVGGRQHSA-N 1 0 236.319 0.743 10 0 BCAERO C[NH2+][C@@H](C)CNC(=O)CC1(OC)CCC1 ZINC000234416471 487823920 /nfs/dbraw/zinc/82/39/20/487823920.db2.gz RCIWKSZTLBXZCE-VIFPVBQESA-N 1 0 214.309 0.670 10 0 BCAERO Cc1cc(CNC(=O)[C@@H]2CCC[C@@H]2C[NH3+])no1 ZINC000089460982 487823778 /nfs/dbraw/zinc/82/37/78/487823778.db2.gz BOMRFZASSSCSBK-MWLCHTKSSA-N 1 0 237.303 0.974 10 0 BCAERO COCCOCCNC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000089461005 487823993 /nfs/dbraw/zinc/82/39/93/487823993.db2.gz ZGYHSEHIVTVNNP-QWRGUYRKSA-N 1 0 244.335 0.141 10 0 BCAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N[C@H]1CCOC1 ZINC000252491330 487825350 /nfs/dbraw/zinc/82/53/50/487825350.db2.gz OFNCYEFFHPXCIP-GUBZILKMSA-N 1 0 212.293 0.280 10 0 BCAERO C[NH2+][C@H](C)CNC(=O)CCOCC(F)(F)F ZINC000234426886 487825762 /nfs/dbraw/zinc/82/57/62/487825762.db2.gz FIIPSROEAAPOQV-SSDOTTSWSA-N 1 0 242.241 0.680 10 0 BCAERO C[NH2+][C@@H](C)CNS(=O)(=O)CCC(C)(C)C ZINC000234433007 487826501 /nfs/dbraw/zinc/82/65/01/487826501.db2.gz AWOXQVDJIHJFPQ-VIFPVBQESA-N 1 0 236.381 0.950 10 0 BCAERO C[C@@H]1[NH2+]CC[C@H]1C(=O)NCC[C@H]1CCCO1 ZINC000252613310 487827853 /nfs/dbraw/zinc/82/78/53/487827853.db2.gz XBLMMFPIDFMWMB-HBNTYKKESA-N 1 0 226.320 0.670 10 0 BCAERO C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000252682028 487828974 /nfs/dbraw/zinc/82/89/74/487828974.db2.gz BKRWQOXWMROBMZ-LMLFDSFASA-N 1 0 208.305 0.853 10 0 BCAERO C[C@@H]1OCC[C@@H]1NC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000252741789 487832841 /nfs/dbraw/zinc/83/28/41/487832841.db2.gz JBIFFFLNONYSSA-NAKRPEOUSA-N 1 0 226.320 0.655 10 0 BCAERO CCCCC[C@@H](O)CC(=O)NC[C@@H](C)[NH3+] ZINC000309393740 632021994 /nfs/dbraw/zinc/02/19/94/632021994.db2.gz GFXZYPOIFLQEGH-NXEZZACHSA-N 1 0 216.325 0.781 10 0 BCAERO C[N@H+](C[C@H]1CCC[C@H](O)C1)CC(C)(CO)CO ZINC000647967156 487864602 /nfs/dbraw/zinc/86/46/02/487864602.db2.gz UUFJCMZWVYFBGK-RYUDHWBXSA-N 1 0 245.363 0.460 10 0 BCAERO C[N@H+](C[C@@H]1CCC[C@@H](O)C1)CC(C)(CO)CO ZINC000647967157 487864911 /nfs/dbraw/zinc/86/49/11/487864911.db2.gz UUFJCMZWVYFBGK-VXGBXAGGSA-N 1 0 245.363 0.460 10 0 BCAERO COCCOC[C@@H](O)C[NH2+][C@@H](C)C(C)C ZINC000234737317 487869063 /nfs/dbraw/zinc/86/90/63/487869063.db2.gz GLKULFWLOOQDAE-QWRGUYRKSA-N 1 0 219.325 0.644 10 0 BCAERO COC[C@@H](C)[NH2+]CC[C@H]1CCNC1=O ZINC000395889128 487880748 /nfs/dbraw/zinc/88/07/48/487880748.db2.gz KJHQXUVXSOJHFL-BDAKNGLRSA-N 1 0 200.282 0.137 10 0 BCAERO Cc1cnc([C@H](C)NC(=O)[C@H]2CCC[NH2+]2)o1 ZINC000226707334 487884181 /nfs/dbraw/zinc/88/41/81/487884181.db2.gz ZMUBZLZLCVVGDW-DTWKUNHWSA-N 1 0 223.276 0.912 10 0 BCAERO COCCOC[C@H](O)C[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000234905033 487889842 /nfs/dbraw/zinc/88/98/42/487889842.db2.gz HZYKCCWJAKPEJE-TUAOUCFPSA-N 1 0 247.335 0.167 10 0 BCAERO COc1cccnc1NC[C@@H]1COCC[NH2+]1 ZINC000234949811 487896565 /nfs/dbraw/zinc/89/65/65/487896565.db2.gz ZJDXNFZFOSODRY-SECBINFHSA-N 1 0 223.276 0.491 10 0 BCAERO COC[C@H]([NH3+])C(=O)NCc1cc(C)cc(C)c1 ZINC000083363518 487903180 /nfs/dbraw/zinc/90/31/80/487903180.db2.gz AEFDRQAFGQSKAT-LBPRGKRZSA-N 1 0 236.315 0.893 10 0 BCAERO O=C(NC[C@H]1CCC[C@H]1O)[C@H]1CCC[NH2+]1 ZINC000157567072 487914604 /nfs/dbraw/zinc/91/46/04/487914604.db2.gz ITAJELBABIXTPJ-OPRDCNLKSA-N 1 0 212.293 0.016 10 0 BCAERO O=C(NC[C@@H]1CCCC[C@@H]1O)[C@H]1CCC[NH2+]1 ZINC000157727909 487918484 /nfs/dbraw/zinc/91/84/84/487918484.db2.gz FJZCHQYSUKAIJS-AXFHLTTASA-N 1 0 226.320 0.406 10 0 BCAERO CCOCCCn1cc(C(C)(C)[NH3+])nn1 ZINC000083552983 487919775 /nfs/dbraw/zinc/91/97/75/487919775.db2.gz DAQPRCBZYAHXLM-UHFFFAOYSA-N 1 0 212.297 0.899 10 0 BCAERO CC(C)[NH2+]CCC(=O)N1CCC([C@H](C)O)CC1 ZINC000157778140 487921032 /nfs/dbraw/zinc/92/10/32/487921032.db2.gz BPTIYAGZHPBKQP-NSHDSACASA-N 1 0 242.363 0.994 10 0 BCAERO CCNC(=O)CN(C)C(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000055090194 487934303 /nfs/dbraw/zinc/93/43/03/487934303.db2.gz XQVCUDKFVWOWBZ-ZJUUUORDSA-N 1 0 241.335 0.098 10 0 BCAERO COC[C@H](C)NC(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000055086606 487934153 /nfs/dbraw/zinc/93/41/53/487934153.db2.gz CCZKCIKFHFTKGB-GUBZILKMSA-N 1 0 214.309 0.655 10 0 BCAERO C[C@@H](O)C1CC[NH+](C[C@@H]2CNCCO2)CC1 ZINC000235300558 487940654 /nfs/dbraw/zinc/94/06/54/487940654.db2.gz RHSMZNAEMATHNN-PWSUYJOCSA-N 1 0 228.336 0.068 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@@H]1CCC[C@H]1O ZINC000235290288 487940713 /nfs/dbraw/zinc/94/07/13/487940713.db2.gz HFQNBJGBSHMTES-LMLFDSFASA-N 1 0 226.320 0.119 10 0 BCAERO Cc1cc(C(=O)N2C[C@@H](C)[C@@H]([NH3+])C2)n(C)n1 ZINC000235357835 487944375 /nfs/dbraw/zinc/94/43/75/487944375.db2.gz GACZMQJMNXRDPS-APPZFPTMSA-N 1 0 222.292 0.148 10 0 BCAERO CCc1cc(=O)[nH]c(C[NH2+][C@H](C)COC)n1 ZINC000309426314 487946232 /nfs/dbraw/zinc/94/62/32/487946232.db2.gz FILIPVJVCKKERL-MRVPVSSYSA-N 1 0 225.292 0.869 10 0 BCAERO CC(C)C[C@H](C[NH3+])CC(=O)NCC[C@H](C)O ZINC000083863051 487953916 /nfs/dbraw/zinc/95/39/16/487953916.db2.gz WKPDAHBQYQLWOA-QWRGUYRKSA-N 1 0 230.352 0.885 10 0 BCAERO C[NH2+][C@H]1CCCN(Cc2nnnn2C(C)C)C1 ZINC000569605592 322972508 /nfs/dbraw/zinc/97/25/08/322972508.db2.gz ORJHLNAFCQKOGM-JTQLQIEISA-N 1 0 238.339 0.438 10 0 BCAERO CNC(=O)CCC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000398323163 323000180 /nfs/dbraw/zinc/00/01/80/323000180.db2.gz CZOHPUBQVUDSLL-WCQGTBRESA-N 1 0 240.347 0.916 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N(C)CCc1ccccn1 ZINC000159589182 323039555 /nfs/dbraw/zinc/03/95/55/323039555.db2.gz DCJXMKVUELUHCQ-LLVKDONJSA-N 1 0 237.303 0.056 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N(Cc1ccccn1)C1CC1 ZINC000159720683 323044970 /nfs/dbraw/zinc/04/49/70/323044970.db2.gz HZPBSGIIUWDYEJ-GFCCVEGCSA-N 1 0 249.314 0.546 10 0 BCAERO CCc1nnc(CN(C)[C@@H]2CC[NH2+]C2)n1C ZINC000563153076 323095932 /nfs/dbraw/zinc/09/59/32/323095932.db2.gz XPMZFFFNNHSRQL-SECBINFHSA-N 1 0 223.324 0.171 10 0 BCAERO c1ccc(CN2CC[C@@H]3OCC[NH2+][C@@H]3C2)nc1 ZINC000404066774 323104720 /nfs/dbraw/zinc/10/47/20/323104720.db2.gz BEUSYQAHNQLNNA-OLZOCXBDSA-N 1 0 233.315 0.644 10 0 BCAERO COc1cc(N[C@@H](CC[NH3+])C(F)F)ncn1 ZINC000394768598 323108512 /nfs/dbraw/zinc/10/85/12/323108512.db2.gz DOOFCRXPJBLPPZ-LURJTMIESA-N 1 0 232.234 0.880 10 0 BCAERO OCCC1CC[NH+](CC2(O)CCC2)CC1 ZINC000531562048 323110047 /nfs/dbraw/zinc/11/00/47/323110047.db2.gz JYMYZUXTHJPBRY-UHFFFAOYSA-N 1 0 213.321 0.996 10 0 BCAERO CCCCOC[C@H](O)C[NH2+][C@H](C)CC(=O)NC ZINC000322643223 323142594 /nfs/dbraw/zinc/14/25/94/323142594.db2.gz UXKSVTPKMQGKOS-GHMZBOCLSA-N 1 0 246.351 0.278 10 0 BCAERO COC[C@@H]([NH3+])C(=O)NCCCC1CC1 ZINC000157320752 323174558 /nfs/dbraw/zinc/17/45/58/323174558.db2.gz UJXYZFJHHAODDU-SECBINFHSA-N 1 0 200.282 0.267 10 0 BCAERO CS(=O)(=O)c1ccc([C@]2([NH3+])CCOC2)cc1 ZINC000309178835 323196611 /nfs/dbraw/zinc/19/66/11/323196611.db2.gz DUEGGTQFEUMKBM-NSHDSACASA-N 1 0 241.312 0.664 10 0 BCAERO CC(C)OC[C@H](O)C[N@@H+]1C[C@H](O)CC[C@@H]1C ZINC000399231671 323200966 /nfs/dbraw/zinc/20/09/66/323200966.db2.gz KBKISSJQASSUGE-QJPTWQEYSA-N 1 0 231.336 0.618 10 0 BCAERO C[C@@H]1OCC[C@H]1NC(=O)N1CCC[C@H]([NH3+])C1 ZINC000417941516 323213111 /nfs/dbraw/zinc/21/31/11/323213111.db2.gz AODYMRPQBFEDRC-LPEHRKFASA-N 1 0 227.308 0.297 10 0 BCAERO Cc1cnccc1CN1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC000530225628 323218922 /nfs/dbraw/zinc/21/89/22/323218922.db2.gz OVLSNHZILCWGHT-KBPBESRZSA-N 1 0 247.342 0.953 10 0 BCAERO C[C@@H]1CC[NH2+][C@@H](C(=O)NC[C@@H](O)C(C)(C)C)C1 ZINC000324288099 323226547 /nfs/dbraw/zinc/22/65/47/323226547.db2.gz ADNBXLWEUKENBY-GMTAPVOTSA-N 1 0 242.363 0.898 10 0 BCAERO C[C@H]([NH3+])C[C@H](C)Nc1cnn(C)c(=O)c1Cl ZINC000320840210 323594728 /nfs/dbraw/zinc/59/47/28/323594728.db2.gz LBLRGMZUZZCALQ-BQBZGAKWSA-N 1 0 244.726 0.971 10 0 BCAERO C[C@@H](C(=O)NCC[C@@H]1CCCO1)[C@H](C)[NH3+] ZINC000165322935 487959870 /nfs/dbraw/zinc/95/98/70/487959870.db2.gz IYNDXQCWJVHHGI-UTLUCORTSA-N 1 0 214.309 0.655 10 0 BCAERO CC[C@H](C)[C@@H]([NH3+])C(=O)N1CC[C@@H](NC(C)=O)C1 ZINC000229782445 487960576 /nfs/dbraw/zinc/96/05/76/487960576.db2.gz BQIOOVCFHSLEII-JMJZKYOTSA-N 1 0 241.335 0.097 10 0 BCAERO c1cncc(CN2C[C@@H]3CC[NH2+][C@@H]3C2)c1 ZINC000253595836 324191879 /nfs/dbraw/zinc/19/18/79/324191879.db2.gz JMMWSWQLKMIKGM-NWDGAFQWSA-N 1 0 203.289 0.875 10 0 BCAERO COC1(C[NH+]2C[C@@H](CO)[C@H](CO)C2)CCCC1 ZINC000529638780 324368945 /nfs/dbraw/zinc/36/89/45/324368945.db2.gz BAFFRLMLBPJWIA-RYUDHWBXSA-N 1 0 243.347 0.478 10 0 BCAERO OC1CC(C[NH2+][C@@H]2CO[C@@H](C3CC3)C2)C1 ZINC000529676666 324375638 /nfs/dbraw/zinc/37/56/38/324375638.db2.gz VVAZXSXORUZWKK-LCRAYJKBSA-N 1 0 211.305 0.914 10 0 BCAERO COC(=O)C[C@H](C)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000130456176 325053176 /nfs/dbraw/zinc/05/31/76/325053176.db2.gz QWLXKQHNEJSEDI-VHSXEESVSA-N 1 0 242.319 0.348 10 0 BCAERO C[C@@H](O)CC[NH2+]Cc1ccnc(N(C)C)n1 ZINC000134795110 325376971 /nfs/dbraw/zinc/37/69/71/325376971.db2.gz IGPCDEANPLKHLQ-SECBINFHSA-N 1 0 224.308 0.403 10 0 BCAERO Cc1nc(N)nc(N2C[C@@H]3CC[C@@H](O)C[C@@H]3C2)n1 ZINC000631304045 487968431 /nfs/dbraw/zinc/96/84/31/487968431.db2.gz PEOZPIMISILWTA-IVZWLZJFSA-N 1 0 249.318 0.359 10 0 BCAERO [NH3+][C@H]1CCC[C@H](C(=O)NC[C@@H]2CCCO2)C1 ZINC000055086441 487970157 /nfs/dbraw/zinc/97/01/57/487970157.db2.gz KUWCWUAKUNXMCQ-DCAQKATOSA-N 1 0 226.320 0.799 10 0 BCAERO COC(=O)CCCN1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC000404187312 325921468 /nfs/dbraw/zinc/92/14/68/325921468.db2.gz GLFGLLCKCHZPOR-QWRGUYRKSA-N 1 0 242.319 0.002 10 0 BCAERO O=C(CCC1CC1)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000566791579 326082553 /nfs/dbraw/zinc/08/25/53/326082553.db2.gz LFAVAXRAIPJVAV-WDEREUQCSA-N 1 0 224.304 0.376 10 0 BCAERO CS(=O)(=O)CCCC[NH2+][C@@H]1CCCC[C@H]1O ZINC000567061962 326109003 /nfs/dbraw/zinc/10/90/03/326109003.db2.gz LPBABTCAKZZXML-GHMZBOCLSA-N 1 0 249.376 0.704 10 0 BCAERO C[C@@H]1C[C@H]1CNC(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000156872999 326246426 /nfs/dbraw/zinc/24/64/26/326246426.db2.gz DOPLRIATCNRPIQ-MNOVXSKESA-N 1 0 239.363 0.442 10 0 BCAERO C[C@@H]1C[C@@H]1CNC(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000156872716 326246457 /nfs/dbraw/zinc/24/64/57/326246457.db2.gz DOPLRIATCNRPIQ-GHMZBOCLSA-N 1 0 239.363 0.442 10 0 BCAERO CCOCCO[C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000157814715 326296815 /nfs/dbraw/zinc/29/68/15/326296815.db2.gz PDMUEZBWZZQOMO-NSHDSACASA-N 1 0 231.336 0.885 10 0 BCAERO CCc1nnc(CN2CC[C@@H]([NH3+])[C@H](C)C2)n1C ZINC000568512301 326361938 /nfs/dbraw/zinc/36/19/38/326361938.db2.gz WBWIGOATJXECDD-NXEZZACHSA-N 1 0 237.351 0.547 10 0 BCAERO COC[C@@H]1CN(C(=O)[C@@]2(C)CCC[NH2+]2)CCO1 ZINC000569003251 326386386 /nfs/dbraw/zinc/38/63/86/326386386.db2.gz XIYATWVHJRMNTQ-CMPLNLGQSA-N 1 0 242.319 0.002 10 0 BCAERO COCC(C)(C)NC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000158777921 487975085 /nfs/dbraw/zinc/97/50/85/487975085.db2.gz WHQFCINFSYUBNW-ZJUUUORDSA-N 1 0 228.336 0.903 10 0 BCAERO C[C@H]1OCC[C@@H]1NC(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000134257481 487975778 /nfs/dbraw/zinc/97/57/78/487975778.db2.gz UOCKZEWPFGYYAR-RTXFEEFZSA-N 1 0 248.326 0.850 10 0 BCAERO CC(C)[NH2+]CCC(=O)N[C@H]1CCO[C@@H]1C ZINC000134260248 487976020 /nfs/dbraw/zinc/97/60/20/487976020.db2.gz VOPKMKUILXEVOS-ZJUUUORDSA-N 1 0 214.309 0.668 10 0 BCAERO C[C@]1(C(=O)N[C@H]2CCCOC2)CCC[NH2+]1 ZINC000070619385 487984864 /nfs/dbraw/zinc/98/48/64/487984864.db2.gz FQIKRMKLTXZLIF-GXSJLCMTSA-N 1 0 212.293 0.424 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)NC1(C)CCOCC1 ZINC000229901330 487987453 /nfs/dbraw/zinc/98/74/53/487987453.db2.gz IFWMZRASETUWRY-NXEZZACHSA-N 1 0 226.320 0.527 10 0 BCAERO C[C@H]1OCC[C@H]1NC(=O)[C@H]1CC[NH2+][C@H]1C ZINC000134548213 487989709 /nfs/dbraw/zinc/98/97/09/487989709.db2.gz OCZQXHUACZJHIM-QCLAVDOMSA-N 1 0 212.293 0.278 10 0 BCAERO C[C@H]1OCC[C@H]1NC(=O)CCC(C)(C)[NH3+] ZINC000134549728 487989880 /nfs/dbraw/zinc/98/98/80/487989880.db2.gz GNLYBBZJWBWJKS-RKDXNWHRSA-N 1 0 214.309 0.798 10 0 BCAERO CCO[C@@H](CC)C(=O)NCC[C@@H](C)[NH3+] ZINC000308983780 488002120 /nfs/dbraw/zinc/00/21/20/488002120.db2.gz JBSFXLSKFYWELR-BDAKNGLRSA-N 1 0 202.298 0.655 10 0 BCAERO COc1cc(OC)nc(NCC[NH2+]C2CC2)n1 ZINC000135008848 488009674 /nfs/dbraw/zinc/00/96/74/488009674.db2.gz BMRFDEFYKSCWOZ-UHFFFAOYSA-N 1 0 238.291 0.658 10 0 BCAERO COCCCC[N@@H+]1CCOC[C@@H]1CO ZINC000159252481 488014828 /nfs/dbraw/zinc/01/48/28/488014828.db2.gz SNEBGMADOGXGRC-JTQLQIEISA-N 1 0 203.282 0.106 10 0 BCAERO N#Cc1ccc(N[C@@H]2CCCC[C@H]2C[NH3+])nn1 ZINC000396956684 488023640 /nfs/dbraw/zinc/02/36/40/488023640.db2.gz CIECNZSBPUOVNB-GXSJLCMTSA-N 1 0 231.303 1.278 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)N1CCC(CCO)CC1 ZINC000401072760 488026316 /nfs/dbraw/zinc/02/63/16/488026316.db2.gz KVTRBABDOPDBLQ-GFCCVEGCSA-N 1 0 242.363 0.981 10 0 BCAERO Cc1cc(NC[C@@H]2COCC[NH2+]2)ncn1 ZINC000235904391 488029420 /nfs/dbraw/zinc/02/94/20/488029420.db2.gz CVIOPHISELAVLY-SECBINFHSA-N 1 0 208.265 0.185 10 0 BCAERO Cc1cnn(CCNC(=O)C[C@@H]2CC[NH2+]C2)c1 ZINC000235937259 488032151 /nfs/dbraw/zinc/03/21/51/488032151.db2.gz ZYBBMWHVBGDVLE-NSHDSACASA-N 1 0 236.319 0.307 10 0 BCAERO CC(C)[C@@H](C)[N@@H+]1CCC[C@@](O)(C(N)=O)C1 ZINC000318959131 488036818 /nfs/dbraw/zinc/03/68/18/488036818.db2.gz FAXGMGRRCGJYKB-KOLCDFICSA-N 1 0 214.309 0.343 10 0 BCAERO C[C@H]1CN(Cc2cn[nH]c2)C[C@H]1[NH+](C)C ZINC000685458810 488036958 /nfs/dbraw/zinc/03/69/58/488036958.db2.gz DAQQGLULYLJDCR-GXSJLCMTSA-N 1 0 208.309 0.792 10 0 BCAERO O=C(C[NH2+]C1CC1)NC[C@H]1CCC[C@@H]1O ZINC000084238525 488039460 /nfs/dbraw/zinc/03/94/60/488039460.db2.gz SJUIIBFUVIMNHW-SCZZXKLOSA-N 1 0 212.293 0.016 10 0 BCAERO CC(C)([NH3+])CCC(=O)NC[C@@H]1CCC[C@@H]1O ZINC000084238316 488039823 /nfs/dbraw/zinc/03/98/23/488039823.db2.gz OETXJRAVNWZWLJ-UWVGGRQHSA-N 1 0 228.336 0.781 10 0 BCAERO Cn1ncnc1C[NH2+]C[C@H]1CCC[C@H]1O ZINC000084237780 488039851 /nfs/dbraw/zinc/03/98/51/488039851.db2.gz LVKUGMDHFYKZLQ-RKDXNWHRSA-N 1 0 210.281 0.066 10 0 BCAERO CC[C@@H]([NH3+])C(=O)NC[C@H]1CCC[C@H]1O ZINC000084238917 488039535 /nfs/dbraw/zinc/03/95/35/488039535.db2.gz SBQWUZWWROOMJC-IWSPIJDZSA-N 1 0 200.282 0.001 10 0 BCAERO [NH3+]CCCCC(=O)NC[C@H]1CCC[C@@H]1O ZINC000084238700 488039689 /nfs/dbraw/zinc/03/96/89/488039689.db2.gz PJZYWFLIIKMZDA-ZJUUUORDSA-N 1 0 214.309 0.393 10 0 BCAERO Cn1ncnc1C[NH2+]C[C@@H]1CCC[C@@H]1O ZINC000084237772 488039398 /nfs/dbraw/zinc/03/93/98/488039398.db2.gz LVKUGMDHFYKZLQ-IUCAKERBSA-N 1 0 210.281 0.066 10 0 BCAERO O=C1C[C@H]([NH2+]C[C@@H]2CCC[C@@H]2O)CCCN1 ZINC000084236889 488040487 /nfs/dbraw/zinc/04/04/87/488040487.db2.gz HUHYLEOHTZGRGD-AXFHLTTASA-N 1 0 226.320 0.406 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)N1CCOCC1 ZINC000084308481 488042362 /nfs/dbraw/zinc/04/23/62/488042362.db2.gz WBYYZAQYOUCBGO-VHSXEESVSA-N 1 0 212.293 0.220 10 0 BCAERO C[NH+](C)CCNC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000084308629 488043027 /nfs/dbraw/zinc/04/30/27/488043027.db2.gz MRLIZTSGGGMNSD-VHSXEESVSA-N 1 0 213.325 0.039 10 0 BCAERO C[NH+](C)CCNC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000084308632 488043349 /nfs/dbraw/zinc/04/33/49/488043349.db2.gz MRLIZTSGGGMNSD-UWVGGRQHSA-N 1 0 213.325 0.039 10 0 BCAERO Cn1nccc1NC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000084310456 488044611 /nfs/dbraw/zinc/04/46/11/488044611.db2.gz FAIUQNJEDYYHDY-DTWKUNHWSA-N 1 0 222.292 0.734 10 0 BCAERO O=C(C[C@@H]1CC[NH2+]C1)N[C@@H]1CCC[C@H](O)C1 ZINC000084382239 488048332 /nfs/dbraw/zinc/04/83/32/488048332.db2.gz KMXAELGVYNJVJA-AXFHLTTASA-N 1 0 226.320 0.406 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)N[C@@H](C[NH3+])C(F)(F)F)O1 ZINC000401714963 488052434 /nfs/dbraw/zinc/05/24/34/488052434.db2.gz AFNKURVQIMVQLM-QYNIQEEDSA-N 1 0 240.225 0.560 10 0 BCAERO [NH3+]C[C@@H](NC(=O)c1csnn1)C(F)(F)F ZINC000401733446 488059665 /nfs/dbraw/zinc/05/96/65/488059665.db2.gz PSWQRNNRNBKQML-SCSAIBSYSA-N 1 0 240.210 0.158 10 0 BCAERO CC(C)(C)[C@@H](O)C[NH2+][C@H]1CCNC(=O)CC1 ZINC000396669142 488069573 /nfs/dbraw/zinc/06/95/73/488069573.db2.gz QRUSNMKIYDERMD-ZJUUUORDSA-N 1 0 228.336 0.652 10 0 BCAERO CO[C@H](C)C[NH2+]C[C@@H](O)COCc1ccco1 ZINC000224177548 488072218 /nfs/dbraw/zinc/07/22/18/488072218.db2.gz MPNUZJXPTJKHOL-GHMZBOCLSA-N 1 0 243.303 0.782 10 0 BCAERO O=C(CCc1cccnc1)NC[C@@H]1CC[NH2+]C1 ZINC000136039373 488074466 /nfs/dbraw/zinc/07/44/66/488074466.db2.gz DDARTBAILDRLNM-GFCCVEGCSA-N 1 0 233.315 0.740 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)NC[C@@H]1CCC[C@@H]1O ZINC000129115917 488075707 /nfs/dbraw/zinc/07/57/07/488075707.db2.gz LCAPTKXKSLNXKY-AXFHLTTASA-N 1 0 228.336 0.637 10 0 BCAERO CC[N@@H+]1CC[C@@H](Nc2ccc(C)nn2)C1 ZINC000389267366 488086071 /nfs/dbraw/zinc/08/60/71/488086071.db2.gz JSVRZWFCXQMJTJ-SNVBAGLBSA-N 1 0 206.293 0.713 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)Nc1ccc(=O)n(C)c1 ZINC000136372079 488099351 /nfs/dbraw/zinc/09/93/51/488099351.db2.gz SKIZVQAIXTXXAC-SNVBAGLBSA-N 1 0 237.303 0.697 10 0 BCAERO CCCCN(CC(N)=O)C(=O)C[C@H]([NH3+])C(C)C ZINC000136392494 488101640 /nfs/dbraw/zinc/10/16/40/488101640.db2.gz IBHFOEMEIUBDDR-JTQLQIEISA-N 1 0 243.351 0.474 10 0 BCAERO CCCN(CC(=O)NC)C(=O)C[C@H]([NH3+])C(C)C ZINC000136412363 488101713 /nfs/dbraw/zinc/10/17/13/488101713.db2.gz UJBQQPOFWZTHGT-JTQLQIEISA-N 1 0 243.351 0.344 10 0 BCAERO CC[C@H]1C(=O)NCCN1C(=O)C[C@@H]([NH3+])C(C)C ZINC000136462783 488103393 /nfs/dbraw/zinc/10/33/93/488103393.db2.gz ZVCSKEPPSNVUSB-ZJUUUORDSA-N 1 0 241.335 0.097 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)N(C)Cc1nccn1C ZINC000148573526 488103703 /nfs/dbraw/zinc/10/37/03/488103703.db2.gz INZOFGOSKRXQQT-SNVBAGLBSA-N 1 0 238.335 0.752 10 0 BCAERO COC[C@@H](C)C(=O)NC1CCC([NH3+])CC1 ZINC000237155619 488106230 /nfs/dbraw/zinc/10/62/30/488106230.db2.gz FMUWJBPGGAKMJU-XNWIYYODSA-N 1 0 214.309 0.655 10 0 BCAERO OCc1ccnc(N2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000094463041 487537025 /nfs/dbraw/zinc/53/70/25/487537025.db2.gz LRQDQBAYQUVZIF-GFCCVEGCSA-N 1 0 233.315 0.858 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)N[C@@H]2CC23CC[NH2+]CC3)O1 ZINC000389872294 488121655 /nfs/dbraw/zinc/12/16/55/488121655.db2.gz AUOAIIFHGJVOGK-GMTAPVOTSA-N 1 0 238.331 0.812 10 0 BCAERO CN(Cc1cn[nH]c1)C(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000085013482 488122264 /nfs/dbraw/zinc/12/22/64/488122264.db2.gz FDOBZAQSWZLMQK-ZJUUUORDSA-N 1 0 222.292 0.496 10 0 BCAERO CN(Cc1ncc[nH]1)C(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000085013737 488122275 /nfs/dbraw/zinc/12/22/75/488122275.db2.gz BRNUSZXLFZVXCN-BDAKNGLRSA-N 1 0 222.292 0.496 10 0 BCAERO CN(Cc1ncc[nH]1)C(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000085013743 488122713 /nfs/dbraw/zinc/12/27/13/488122713.db2.gz BRNUSZXLFZVXCN-RKDXNWHRSA-N 1 0 222.292 0.496 10 0 BCAERO CC(C)[C@@H]([NH3+])CC(=O)N1CCC([C@@H](C)O)CC1 ZINC000232679272 488122887 /nfs/dbraw/zinc/12/28/87/488122887.db2.gz QCKGZZJIODHAHX-PWSUYJOCSA-N 1 0 242.363 0.979 10 0 BCAERO C[NH2+][C@H](C)C(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000227155645 487555312 /nfs/dbraw/zinc/55/53/12/487555312.db2.gz HDRZOBKVBSRWOT-GMTAPVOTSA-N 1 0 226.320 0.764 10 0 BCAERO C[C@@H](O)CC[NH2+]C[C@H](O)COCc1ccco1 ZINC000085989275 487471037 /nfs/dbraw/zinc/47/10/37/487471037.db2.gz WXNTTXSFYAJCAQ-MNOVXSKESA-N 1 0 243.303 0.518 10 0 BCAERO COC[C@H](C)[NH2+]CCCS(=O)(=O)C(C)C ZINC000380330651 487471658 /nfs/dbraw/zinc/47/16/58/487471658.db2.gz OBOWZBLPTFPZGA-JTQLQIEISA-N 1 0 237.365 0.824 10 0 BCAERO COCC[NH2+]CC(=O)N[C@@H](C)c1ncc(C)o1 ZINC000231743939 487474102 /nfs/dbraw/zinc/47/41/02/487474102.db2.gz LSQIURJWMVFJPY-VIFPVBQESA-N 1 0 241.291 0.396 10 0 BCAERO CCN(C)C(=O)[C@@H](C)NC(=O)C[C@@H]([NH3+])C(C)C ZINC000231854820 487481737 /nfs/dbraw/zinc/48/17/37/487481737.db2.gz KTCCHHWKNKLJFO-NXEZZACHSA-N 1 0 243.351 0.343 10 0 BCAERO C[NH2+]C[C@H](C)C(=O)N[C@H]1CCC[C@H](O)C1 ZINC000086066262 487477049 /nfs/dbraw/zinc/47/70/49/487477049.db2.gz IMSSWYMNWWWJOZ-GUBZILKMSA-N 1 0 214.309 0.262 10 0 BCAERO CC(C)[C@@H](CO)NC(=O)[C@@]1(C)CCC[NH2+]1 ZINC000086125173 487484832 /nfs/dbraw/zinc/48/48/32/487484832.db2.gz GXTVOPQLTGPSJO-MWLCHTKSSA-N 1 0 214.309 0.262 10 0 BCAERO CC(C)C[C@@H]([NH3+])C(=O)N[C@H](CO)C(C)C ZINC000086125620 487484951 /nfs/dbraw/zinc/48/49/51/487484951.db2.gz WPHQOSPVHHZKII-NXEZZACHSA-N 1 0 216.325 0.493 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)NCc1ccno1 ZINC000231892478 487487849 /nfs/dbraw/zinc/48/78/49/487487849.db2.gz LLZHNDPIXOCZNP-SECBINFHSA-N 1 0 211.265 0.664 10 0 BCAERO CC(C)(C)[C@H](O)CNC(=O)CC1([NH3+])CCC1 ZINC000324343794 487490408 /nfs/dbraw/zinc/49/04/08/487490408.db2.gz NGEDLAQBFGMDBG-SECBINFHSA-N 1 0 228.336 0.781 10 0 BCAERO COC[C@H](C)NC(=O)[C@H]1CC[NH2+][C@H]1C ZINC000086270551 487494205 /nfs/dbraw/zinc/49/42/05/487494205.db2.gz LGNAXUZLXVTXGE-CIUDSAMLSA-N 1 0 200.282 0.136 10 0 BCAERO C[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H]1CCCOC1 ZINC000086271987 487494322 /nfs/dbraw/zinc/49/43/22/487494322.db2.gz YFBUFTPXTCXSTA-AEJSXWLSSA-N 1 0 212.293 0.280 10 0 BCAERO C[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H]1CCC[C@H](O)C1 ZINC000086271189 487494800 /nfs/dbraw/zinc/49/48/00/487494800.db2.gz HESIQLWTSPEESG-VLEAKVRGSA-N 1 0 226.320 0.404 10 0 BCAERO C[C@@H]1[NH2+]CC[C@H]1C(=O)NCC[C@@H]1CCCO1 ZINC000086271395 487494839 /nfs/dbraw/zinc/49/48/39/487494839.db2.gz XBLMMFPIDFMWMB-GARJFASQSA-N 1 0 226.320 0.670 10 0 BCAERO C[NH2+][C@H](C)CNC(=O)[C@@H]1CC[C@H](C)O1 ZINC000300043296 487499586 /nfs/dbraw/zinc/49/95/86/487499586.db2.gz WDFDMLVROMYCTD-VGMNWLOBSA-N 1 0 200.282 0.278 10 0 BCAERO C[C@H]1[NH2+]CCC[C@@H]1C(=O)NC(C)(C)CC(N)=O ZINC000227069124 487502201 /nfs/dbraw/zinc/50/22/01/487502201.db2.gz ZGDRWEIIXQJNEZ-BDAKNGLRSA-N 1 0 241.335 0.145 10 0 BCAERO C[C@@H]1CN(C(=O)[C@@]2(C)CCC[NH2+]2)C[C@@H](C)O1 ZINC000227077236 487503430 /nfs/dbraw/zinc/50/34/30/487503430.db2.gz OXPWRGCCLAFYTN-CKYFFXLPSA-N 1 0 226.320 0.764 10 0 BCAERO C[C@@H](N[C@@H]1CCC[C@H]1O)c1ncn(C)n1 ZINC000391892074 487505372 /nfs/dbraw/zinc/50/53/72/487505372.db2.gz FBNLSRKTDYSGNP-IWSPIJDZSA-N 1 0 210.281 0.379 10 0 BCAERO CC[C@@H](C)[C@H]([NH3+])C(=O)Nc1cncnc1 ZINC000232088962 487511240 /nfs/dbraw/zinc/51/12/40/487511240.db2.gz JKAHOVOLFXBNLD-APPZFPTMSA-N 1 0 208.265 0.789 10 0 BCAERO C[C@]1(C(=O)N[C@H]2CCC[C@@H](O)C2)CCC[NH2+]1 ZINC000227079061 487509562 /nfs/dbraw/zinc/50/95/62/487509562.db2.gz QCGOZPIZZIYOPI-HOSYDEDBSA-N 1 0 226.320 0.548 10 0 BCAERO CCN(C(=O)[C@@H](C)[NH2+]C)[C@@H]1CCCOC1 ZINC000402717577 487510716 /nfs/dbraw/zinc/51/07/16/487510716.db2.gz UUZIGDSZSIQDOZ-NXEZZACHSA-N 1 0 214.309 0.622 10 0 BCAERO O[C@@H]1CCC[C@H]1[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000220591250 487520241 /nfs/dbraw/zinc/52/02/41/487520241.db2.gz YEOONNNTAYFIOA-JHJVBQTASA-N 1 0 240.347 0.306 10 0 BCAERO [NH3+]CCOCC(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000093231539 488145702 /nfs/dbraw/zinc/14/57/02/488145702.db2.gz SWIKDZHPHDQARB-WDEREUQCSA-N 1 0 242.319 0.132 10 0 BCAERO CC[C@H](C)[C@@H]([NH3+])C(=O)NCc1cn(CC)nn1 ZINC000404445752 488160982 /nfs/dbraw/zinc/16/09/82/488160982.db2.gz CIPVWLUCTOLERK-WCBMZHEXSA-N 1 0 239.323 0.288 10 0 BCAERO CCn1cc(CNC(=O)[C@@H]2CC[C@H]([NH3+])C2)nn1 ZINC000404494872 488165774 /nfs/dbraw/zinc/16/57/74/488165774.db2.gz OVUOFXQKDYFQFM-BDAKNGLRSA-N 1 0 237.307 0.042 10 0 BCAERO CCN1CCO[C@H](C[NH2+][C@@H]2CCCC[C@H]2O)C1 ZINC000226238633 487690728 /nfs/dbraw/zinc/69/07/28/487690728.db2.gz WEVYMMMMFLSGGI-JHJVBQTASA-N 1 0 242.363 0.600 10 0 BCAERO Nc1ccc(CN2CC[N@@H+]3CCC[C@H]3C2)cn1 ZINC000249913324 487725928 /nfs/dbraw/zinc/72/59/28/487725928.db2.gz QBNKJVGTABFRDK-LBPRGKRZSA-N 1 0 232.331 0.944 10 0 BCAERO CC[C@@H]1C[C@H]1NC(=O)C1(C[NH3+])CCOCC1 ZINC000233937898 487753332 /nfs/dbraw/zinc/75/33/32/487753332.db2.gz CTBGHFBXXIIRMD-NXEZZACHSA-N 1 0 226.320 0.657 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)N[C@H](C)c1cn[nH]c1 ZINC000229706457 487937318 /nfs/dbraw/zinc/93/73/18/487937318.db2.gz ASVHQAKAGXMBCA-PSASIEDQSA-N 1 0 224.308 0.960 10 0 BCAERO CC[C@@H]1C[N@H+](C[C@@H]2CCCN2C)C[C@H]1O ZINC000400027582 487983547 /nfs/dbraw/zinc/98/35/47/487983547.db2.gz GOPFHGLDTXAEEH-GRYCIOLGSA-N 1 0 212.337 0.783 10 0 BCAERO OC1(C[NH2+][C@H]2CO[C@@H](C3CC3)C2)CCOCC1 ZINC000667847310 488137163 /nfs/dbraw/zinc/13/71/63/488137163.db2.gz KLWZLELNLHUBJA-VXGBXAGGSA-N 1 0 241.331 0.685 10 0 BCAERO CN1CCO[C@H](C[NH2+][C@@H]2CO[C@@H](C3CC3)C2)C1 ZINC000667854417 488139264 /nfs/dbraw/zinc/13/92/64/488139264.db2.gz BPYHOCPIFWQQNP-YNEHKIRRSA-N 1 0 240.347 0.474 10 0 BCAERO O[C@@H]1CCC[C@H]1[N@@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000303442775 488141196 /nfs/dbraw/zinc/14/11/96/488141196.db2.gz NMIVUGIHNACHFZ-HLTSFMKQSA-N 1 0 239.237 0.899 10 0 BCAERO C[C@H](CO)[N@H+](C)C[C@H]1CCC[C@H](O)C1 ZINC000379641811 488145485 /nfs/dbraw/zinc/14/54/85/488145485.db2.gz VPFOOSQYPBBUOX-VWYCJHECSA-N 1 0 201.310 0.850 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)N[C@@]2(C)CC[NH2+]C2)O1 ZINC000230733499 488145617 /nfs/dbraw/zinc/14/56/17/488145617.db2.gz FOWMUYMVOHRQON-KKZNHRDASA-N 1 0 212.293 0.422 10 0 BCAERO C[C@H](O)C[N@H+](C)C[C@H]1CCC[C@@H](O)C1 ZINC000379648600 488145898 /nfs/dbraw/zinc/14/58/98/488145898.db2.gz BTGAMHVSMBPONA-GARJFASQSA-N 1 0 201.310 0.850 10 0 BCAERO CCCCNC(=O)N1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC000404190766 488149138 /nfs/dbraw/zinc/14/91/38/488149138.db2.gz HLTVBFZGOKAKAN-MNOVXSKESA-N 1 0 241.335 0.559 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)N2CC[C@H]([NH3+])[C@H]2C)O1 ZINC000380063569 488170577 /nfs/dbraw/zinc/17/05/77/488170577.db2.gz HKABOFPUTZCHFQ-DOLQZWNJSA-N 1 0 212.293 0.502 10 0 BCAERO O=C([C@@H]1CC[NH2+]C1)N1CCCc2n[nH]cc2C1 ZINC000404734659 488176069 /nfs/dbraw/zinc/17/60/69/488176069.db2.gz SQVNJVXIZIKPTR-SECBINFHSA-N 1 0 234.303 0.294 10 0 BCAERO C[NH2+][C@H](C)C(=O)N[C@H]1CCC[C@H](O)C1 ZINC000054072695 488205331 /nfs/dbraw/zinc/20/53/31/488205331.db2.gz AFUBVCXAZXQQMS-VGMNWLOBSA-N 1 0 200.282 0.014 10 0 BCAERO C[C@@H]1CN(C[C@@H]2C[NH2+]CCO2)C[C@@H](C)O1 ZINC000043801831 488207555 /nfs/dbraw/zinc/20/75/55/488207555.db2.gz DSNFTYXFSBURSD-MXWKQRLJSA-N 1 0 214.309 0.084 10 0 BCAERO [NH3+]CC1(C(=O)N[C@H]2CC=CCC2)CCOCC1 ZINC000138196870 488208243 /nfs/dbraw/zinc/20/82/43/488208243.db2.gz ISCGLSMMCABWLB-NSHDSACASA-N 1 0 238.331 0.967 10 0 BCAERO Cn1cc([C@@H]2CCCN2C(=O)CC2([NH3+])CC2)cn1 ZINC000398096621 488210625 /nfs/dbraw/zinc/21/06/25/488210625.db2.gz QMUWHNOYOGAZKX-NSHDSACASA-N 1 0 248.330 0.965 10 0 BCAERO O=C(NC[C@@H]1CCCC[C@@H]1O)[C@@H]1CCCC[NH2+]1 ZINC000085985857 488222413 /nfs/dbraw/zinc/22/24/13/488222413.db2.gz ONCIPPJFPLZSKW-SRVKXCTJSA-N 1 0 240.347 0.796 10 0 BCAERO O[C@@H]1CCC[C@H]1[N@H+]1C[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000398715406 488222861 /nfs/dbraw/zinc/22/28/61/488222861.db2.gz FLIFSCDFJMSBSR-NZEXEKPDSA-N 1 0 225.332 0.993 10 0 BCAERO O=C(C[C@@H]1CCC[NH2+]C1)N[C@H]1CCC[C@H](O)C1 ZINC000054306299 488244234 /nfs/dbraw/zinc/24/42/34/488244234.db2.gz JQLJCTNNMDKNIM-SRVKXCTJSA-N 1 0 240.347 0.796 10 0 BCAERO [NH3+][C@H]1CCCN(C(=O)CCOCC(F)F)C1 ZINC000232322496 490098161 /nfs/dbraw/zinc/09/81/61/490098161.db2.gz PQLZARSIBKCBFM-QMMMGPOBSA-N 1 0 236.262 0.608 10 0 BCAERO CNC(=O)CCC[NH2+][C@@H](CO)c1ccccc1 ZINC000068818264 490131498 /nfs/dbraw/zinc/13/14/98/490131498.db2.gz ISYXSOASZWIDHA-LBPRGKRZSA-N 1 0 236.315 0.836 10 0 BCAERO Fc1ccc(NC[C@H]2COCC[NH2+]2)nc1 ZINC000236204563 490192535 /nfs/dbraw/zinc/19/25/35/490192535.db2.gz XZYGFXDYHYLGTF-VIFPVBQESA-N 1 0 211.240 0.621 10 0 BCAERO C[C@]1(C(=O)N[C@@H]2CCC[C@@H](O)C2)CCCC[NH2+]1 ZINC000227694200 490253537 /nfs/dbraw/zinc/25/35/37/490253537.db2.gz CEXGZWUVMBGOAB-NQBHXWOUSA-N 1 0 240.347 0.938 10 0 BCAERO Cc1nc(CNC(=O)[C@@H]2C[NH2+]C[C@H]2C)cs1 ZINC000082559794 490291366 /nfs/dbraw/zinc/29/13/66/490291366.db2.gz ZDBRPJPQVOMHMB-GMSGAONNSA-N 1 0 239.344 0.923 10 0 BCAERO CCN(CC(=O)N(C)C)C(=O)C[C@@H]([NH3+])C(C)C ZINC000136315597 490302201 /nfs/dbraw/zinc/30/22/01/490302201.db2.gz HUSJFCJNLCYKIS-SNVBAGLBSA-N 1 0 243.351 0.297 10 0 BCAERO O=C(C[C@@H]1CCC[NH2+]C1)NCc1c[nH]cn1 ZINC000084081106 490365401 /nfs/dbraw/zinc/36/54/01/490365401.db2.gz STKAEVJLWFKMQE-VIFPVBQESA-N 1 0 222.292 0.416 10 0 BCAERO CC[C@@H]([NH3+])C(=O)NC[C@H]1CCCC[C@H]1O ZINC000084202234 490380200 /nfs/dbraw/zinc/38/02/00/490380200.db2.gz RSVMWWOKRSNQSY-OPRDCNLKSA-N 1 0 214.309 0.391 10 0 BCAERO CCOc1cc(N(C)[C@@H](C)C[NH3+])nc(C)n1 ZINC000125465917 490435145 /nfs/dbraw/zinc/43/51/45/490435145.db2.gz HMVXECVVHKQQMI-QMMMGPOBSA-N 1 0 224.308 0.967 10 0 BCAERO Cc1ncsc1C[NH2+][C@@H]1CCNC1=O ZINC000306396011 490635768 /nfs/dbraw/zinc/63/57/68/490635768.db2.gz JNRBRBZVMQDKFN-SSDOTTSWSA-N 1 0 211.290 0.430 10 0 BCAERO Cc1c(C[NH2+]C[C@@H]2CCC[C@@H]2O)cnn1C ZINC000086552170 491063080 /nfs/dbraw/zinc/06/30/80/491063080.db2.gz QDBZUDDCPKZBQU-JQWIXIFHSA-N 1 0 223.320 0.979 10 0 BCAERO C[C@H](NC(=O)[C@@]1(C)CCC[NH2+]1)c1cnn(C)c1 ZINC000120672399 491102041 /nfs/dbraw/zinc/10/20/41/491102041.db2.gz DMQGPLSEBZQVOJ-JOYOIKCWSA-N 1 0 236.319 0.739 10 0 BCAERO CC[NH2+][C@@H]1CCN(S(C)(=O)=O)C[C@@H]1CC ZINC000228802171 491104755 /nfs/dbraw/zinc/10/47/55/491104755.db2.gz ILHQDFGCTBDQAF-VHSXEESVSA-N 1 0 234.365 0.656 10 0 BCAERO CC(C)[C@H](C)[N@@H+]1CC[C@H](O)[C@@H](CO)C1 ZINC000307295310 491115708 /nfs/dbraw/zinc/11/57/08/491115708.db2.gz HGPDLCSQTORPPC-AXFHLTTASA-N 1 0 201.310 0.706 10 0 BCAERO CC(C)[C@H](C)[N@@H+]1CC[C@@H](O)[C@@H](CO)C1 ZINC000307295316 491115751 /nfs/dbraw/zinc/11/57/51/491115751.db2.gz HGPDLCSQTORPPC-HBNTYKKESA-N 1 0 201.310 0.706 10 0 BCAERO CCc1nnc(C)cc1C(=O)N1CCC[C@H]([NH3+])C1 ZINC000229145773 491117297 /nfs/dbraw/zinc/11/72/97/491117297.db2.gz LQWQLYLALVDFQA-JTQLQIEISA-N 1 0 248.330 0.911 10 0 BCAERO CCN1CCO[C@H](C[NH2+][C@H]2CCOC[C@H]2C)C1 ZINC000302028939 491133170 /nfs/dbraw/zinc/13/31/70/491133170.db2.gz HIHNJVNAPPPPHU-UPJWGTAASA-N 1 0 242.363 0.722 10 0 BCAERO c1nc2c([nH]1)C[C@@H]([NH2+]C1CSC1)CC2 ZINC000307417318 491133491 /nfs/dbraw/zinc/13/34/91/491133491.db2.gz KDAITCMVMUXNBQ-ZETCQYMHSA-N 1 0 209.318 0.972 10 0 BCAERO OCCN1CCC[C@H]([NH2+]C[C@H]2CCSC2)C1 ZINC000309630214 491153180 /nfs/dbraw/zinc/15/31/80/491153180.db2.gz KCZSQRRHIBHLNY-NEPJUHHUSA-N 1 0 244.404 0.786 10 0 BCAERO CC[C@@H](O)C[NH2+][C@H]1CCN(C(C)=O)C[C@@H]1C ZINC000309672529 491153617 /nfs/dbraw/zinc/15/36/17/491153617.db2.gz WPDIOUIHXBFZMD-WCQGTBRESA-N 1 0 228.336 0.604 10 0 BCAERO CCN1C[C@H](C)[C@H]([NH2+][C@H]2CN(C)C[C@@H]2C)C1 ZINC000309982432 491159350 /nfs/dbraw/zinc/15/93/50/491159350.db2.gz WVJGGFLEMJKWRK-ZDEQEGDKSA-N 1 0 225.380 0.866 10 0 BCAERO C1C[C@]2(CO1)CC[NH2+][C@@]1(CCCOC1)O2 ZINC000757138111 582517413 /nfs/dbraw/zinc/51/74/13/582517413.db2.gz AGLSOTHYTTXVID-QWRGUYRKSA-N 1 0 213.277 0.662 10 0 BCAERO C1C[C@]2(C[NH2+]1)NCC1(CCOCC1)CO2 ZINC000757139840 582520045 /nfs/dbraw/zinc/52/00/45/582520045.db2.gz IGKJEARPXMPNDR-NSHDSACASA-N 1 0 212.293 0.093 10 0 BCAERO C1C[C@@]2(C[NH2+]1)NCC1(CCOCC1)CO2 ZINC000757139837 582520445 /nfs/dbraw/zinc/52/04/45/582520445.db2.gz IGKJEARPXMPNDR-LLVKDONJSA-N 1 0 212.293 0.093 10 0 BCAERO C1OCC12C[NH2+][C@@]1(CCCOCC1)OC2 ZINC000757141427 582521944 /nfs/dbraw/zinc/52/19/44/582521944.db2.gz KRTCDXUFADVDGY-NSHDSACASA-N 1 0 213.277 0.520 10 0 BCAERO NC(=O)[C@H]1CCN1[C@H]1CCCC[C@H]1C[NH3+] ZINC000757151830 582536321 /nfs/dbraw/zinc/53/63/21/582536321.db2.gz XQJWIYUFXIRNKC-LPEHRKFASA-N 1 0 211.309 0.064 10 0 BCAERO CN(CCC[C@H](O)C[NH3+])C(=O)OC(C)(C)C ZINC000757166370 582547585 /nfs/dbraw/zinc/54/75/85/582547585.db2.gz RCKUVPLZAOXZQQ-VIFPVBQESA-N 1 0 232.324 0.953 10 0 BCAERO C[C@H]1CN2C(=[NH+]CC[C@@H]2C(F)(F)F)N1 ZINC000235684610 582601680 /nfs/dbraw/zinc/60/16/80/582601680.db2.gz JKGDSHCGVYTPSY-NTSWFWBYSA-N 1 0 207.199 0.971 10 0 BCAERO CC[C@](C)(O)C[N@@H+]1CC[C@H](C(=O)OC)C1 ZINC000168128602 535847988 /nfs/dbraw/zinc/84/79/88/535847988.db2.gz MREYBDXSHULAKH-ONGXEEELSA-N 1 0 215.293 0.642 10 0 BCAERO CC(C)(C)CC(=O)NCCOCC[NH3+] ZINC000082589719 518621951 /nfs/dbraw/zinc/62/19/51/518621951.db2.gz JKELVCKLNFVVAF-UHFFFAOYSA-N 1 0 202.298 0.514 10 0 BCAERO CCCC[NH2+]CCSc1nnnn1C ZINC000040537882 520691827 /nfs/dbraw/zinc/69/18/27/520691827.db2.gz DGSPDJBJYWZOEP-UHFFFAOYSA-N 1 0 215.326 0.692 10 0 BCAERO CC(=O)[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000111690136 582817843 /nfs/dbraw/zinc/81/78/43/582817843.db2.gz VBDYURNIXJNCJT-ZDUSSCGKSA-N 1 0 240.347 0.620 10 0 BCAERO C[N@@H+]1CCCC[C@@H]1CCSC[C@@H](O)CO ZINC000226242581 536354080 /nfs/dbraw/zinc/35/40/80/536354080.db2.gz YEFPCKLBAGMHMX-MNOVXSKESA-N 1 0 233.377 0.947 10 0 BCAERO C[N@@H+]1CCC[C@H]1Cn1cccc(N)c1=O ZINC000386650062 582833096 /nfs/dbraw/zinc/83/30/96/582833096.db2.gz QDPHTFPUBNTZLM-VIFPVBQESA-N 1 0 207.277 0.525 10 0 BCAERO C[N@@H+]1CCC[C@H]1Cn1cc(N)ccc1=O ZINC000386671737 582836490 /nfs/dbraw/zinc/83/64/90/582836490.db2.gz VJUHIHRLLNVZME-JTQLQIEISA-N 1 0 207.277 0.525 10 0 BCAERO CC(C)(C)C[C@@H](O)CN[C@H]1CC[NH2+]C1 ZINC000226071364 534628628 /nfs/dbraw/zinc/62/86/28/534628628.db2.gz DQEUWUHMLBXVJI-VHSXEESVSA-N 1 0 200.326 0.735 10 0 BCAERO COC(=O)C[C@@H]1C[C@H]2[C@@H](CCC[C@H]2[NH3+])O1 ZINC000238853603 523308130 /nfs/dbraw/zinc/30/81/30/523308130.db2.gz KKGAEERCEJJJSE-SGIHWFKDSA-N 1 0 213.277 0.834 10 0 BCAERO CCn1nccc1C(=O)N1CCC([NH3+])CC1 ZINC000229017050 523709166 /nfs/dbraw/zinc/70/91/66/523709166.db2.gz LXSRPWWPQRLIRF-UHFFFAOYSA-N 1 0 222.292 0.466 10 0 BCAERO CN1C(=O)N(C)[C@](C)([C@@H]2CCC[NH2+]C2)C1=O ZINC000095533159 523715306 /nfs/dbraw/zinc/71/53/06/523715306.db2.gz LDPVQZRWDRZLBR-LDYMZIIASA-N 1 0 225.292 0.269 10 0 BCAERO Cc1cnn(CCC[C@](C)([NH3+])C(N)=O)c1 ZINC000045436096 582879535 /nfs/dbraw/zinc/87/95/35/582879535.db2.gz FCBGAACNEZHYDG-JTQLQIEISA-N 1 0 210.281 0.174 10 0 BCAERO CS(=O)(=O)CCC[NH2+]C[C@@H](O)c1ccco1 ZINC000038047966 525116879 /nfs/dbraw/zinc/11/68/79/525116879.db2.gz WGPLOIPGWKNLEV-SECBINFHSA-N 1 0 247.316 0.337 10 0 BCAERO CNC(=O)c1ccc(CN2C[C@H]([NH3+])[C@@H](C)C2)cc1 ZINC000261958370 536424328 /nfs/dbraw/zinc/42/43/28/536424328.db2.gz GWPRCAQZEDKQEE-GWCFXTLKSA-N 1 0 247.342 0.825 10 0 BCAERO Cc1ccc(C(=O)NCCOCC[NH3+])cn1 ZINC000082589718 526168999 /nfs/dbraw/zinc/16/89/99/526168999.db2.gz DMJGQJAWXNPXOO-UHFFFAOYSA-N 1 0 223.276 0.095 10 0 BCAERO C[C@@H]1CC(C(N)=O)(N(C)C)C[C@@H](C)[NH+]1C ZINC000057354463 526219956 /nfs/dbraw/zinc/21/99/56/526219956.db2.gz QFNFVCSNLBKWJK-RKDXNWHRSA-N 1 0 213.325 0.275 10 0 BCAERO CN(C[C@@H]1CCOC1)C(=O)[C@H]1CC[NH2+]C1 ZINC000261546044 536436203 /nfs/dbraw/zinc/43/62/03/536436203.db2.gz KQDUUWVCQTVGOM-UWVGGRQHSA-N 1 0 212.293 0.091 10 0 BCAERO C[NH2+]CC(=O)NC[C@@H]1CCO[C@@H]1C(C)C ZINC000261550893 536440772 /nfs/dbraw/zinc/44/07/72/536440772.db2.gz PXCBNYNSUIQCHO-GXSJLCMTSA-N 1 0 214.309 0.383 10 0 BCAERO C[NH2+]C[C@@H]1CCCN1c1nc(C)cc(OC)n1 ZINC000164224780 536460034 /nfs/dbraw/zinc/46/00/34/536460034.db2.gz SJFZFQAEJRRQHX-JTQLQIEISA-N 1 0 236.319 0.982 10 0 BCAERO C[NH2+]Cc1cccnc1N1CCOCC1 ZINC000051399169 536470775 /nfs/dbraw/zinc/47/07/75/536470775.db2.gz YMJQYFRXLAHHTC-UHFFFAOYSA-N 1 0 207.277 0.638 10 0 BCAERO C[NH2+]Cc1cccnc1N1CCS(=O)CC1 ZINC000051484614 536470373 /nfs/dbraw/zinc/47/03/73/536470373.db2.gz UZPLLSMLYONVBP-UHFFFAOYSA-N 1 0 239.344 0.370 10 0 BCAERO O=C1NCCN1CCC[NH+]1CCCCC1 ZINC000229010509 527069838 /nfs/dbraw/zinc/06/98/38/527069838.db2.gz PUDASCJKVPQFKE-UHFFFAOYSA-N 1 0 211.309 0.888 10 0 BCAERO Cn1c(N2CC[C@H]([NH3+])C2)nc2ccccc2c1=O ZINC000229004117 527074853 /nfs/dbraw/zinc/07/48/53/527074853.db2.gz FMEYAZZTVZUCBG-VIFPVBQESA-N 1 0 244.298 0.471 10 0 BCAERO CC(C)(O)[C@@H]1CCC[N@@H+]1C[C@@H]1CNC(=O)O1 ZINC000496479199 527357470 /nfs/dbraw/zinc/35/74/70/527357470.db2.gz HAUNULJMQRGMFU-IUCAKERBSA-N 1 0 228.292 0.330 10 0 BCAERO COC[C@@H](C)N(C)C(=O)C[C@@H]1CC[NH2+]C1 ZINC000084382365 536516517 /nfs/dbraw/zinc/51/65/17/536516517.db2.gz QUUNXSZMEIKFSK-ZJUUUORDSA-N 1 0 214.309 0.479 10 0 BCAERO CC(C)OC[C@H](O)C[N@@H+]1C[C@H](C)C[C@H](O)C1 ZINC000401942689 528028938 /nfs/dbraw/zinc/02/89/38/528028938.db2.gz HWSOXYZLXAITAV-GRYCIOLGSA-N 1 0 231.336 0.475 10 0 BCAERO CC(C)CNC(=O)C[N@@H+]1C[C@@H](C)C[C@H](O)C1 ZINC000401738371 528034663 /nfs/dbraw/zinc/03/46/63/528034663.db2.gz HYQVZPFKNMWCJZ-QWRGUYRKSA-N 1 0 228.336 0.461 10 0 BCAERO CCCNC(=O)[C@H](C)[N@@H+]1C[C@H](C)C[C@@H](O)C1 ZINC000401736037 528435342 /nfs/dbraw/zinc/43/53/42/528435342.db2.gz GNLIAIPILLRSHG-OUAUKWLOSA-N 1 0 228.336 0.604 10 0 BCAERO CCCCNC(=O)[C@H](C)[N@@H+]1C[C@H](C)C[C@H](O)C1 ZINC000401647785 528537901 /nfs/dbraw/zinc/53/79/01/528537901.db2.gz IVHFWWIISSVMDN-WOPDTQHZSA-N 1 0 242.363 0.994 10 0 BCAERO CCCCOC[C@H](O)C[N@H+]1C[C@H](O)C[C@H](C)C1 ZINC000401580854 528624446 /nfs/dbraw/zinc/62/44/46/528624446.db2.gz JXFVUYUYZXLUHX-YNEHKIRRSA-N 1 0 245.363 0.867 10 0 BCAERO CCCCOC[C@H](O)C[NH2+]C(C)(C)CC(N)=O ZINC000195218408 528626418 /nfs/dbraw/zinc/62/64/18/528626418.db2.gz KUWLEPRQDJKMCF-SNVBAGLBSA-N 1 0 246.351 0.408 10 0 BCAERO CC(C)N(C)C(=O)[C@@H]([NH3+])C1CCOCC1 ZINC000261581279 534983373 /nfs/dbraw/zinc/98/33/73/534983373.db2.gz NLOBRVDYCFPQRA-JTQLQIEISA-N 1 0 214.309 0.607 10 0 BCAERO CCC(CC)[C@H](O)CNC(=O)[C@H]1C[NH2+]C[C@@H]1C ZINC000227427820 535153073 /nfs/dbraw/zinc/15/30/73/535153073.db2.gz LQVITWFVSVOFKV-ZMLRMANQSA-N 1 0 242.363 0.755 10 0 BCAERO CC(C)N1C[C@@H](C)[C@H]([NH2+][C@H](C)CC(N)=O)C1 ZINC000252726981 535258797 /nfs/dbraw/zinc/25/87/97/535258797.db2.gz JUOFMTDZVJMFKO-GMTAPVOTSA-N 1 0 227.352 0.569 10 0 BCAERO CCCCNC(=O)C[NH2+][C@H]1CCO[C@@H]1C ZINC000134541608 535284126 /nfs/dbraw/zinc/28/41/26/535284126.db2.gz WYYBXJDEOWGNHD-ZJUUUORDSA-N 1 0 214.309 0.670 10 0 BCAERO CC(C)(O)C[NH+]1CCC(C)(CO)CC1 ZINC000335034414 535302728 /nfs/dbraw/zinc/30/27/28/535302728.db2.gz QISPTCBXOFTWFT-UHFFFAOYSA-N 1 0 201.310 0.852 10 0 BCAERO CCOCCC(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000085727178 535457563 /nfs/dbraw/zinc/45/75/63/535457563.db2.gz JACKBDCKYIWILD-VHSXEESVSA-N 1 0 214.309 0.670 10 0 BCAERO CCN(CC)C(=O)[C@@H](C)[N@@H+]1CC[C@H](CCO)C1 ZINC000252888319 535459419 /nfs/dbraw/zinc/45/94/19/535459419.db2.gz AGKJWHQHMKRDAJ-VXGBXAGGSA-N 1 0 242.363 0.948 10 0 BCAERO CCC[C@@H]1C[C@H]1NC(=O)[C@H]([NH3+])COC ZINC000261528621 535490803 /nfs/dbraw/zinc/49/08/03/535490803.db2.gz MSXBNQGFQQEGHM-IWSPIJDZSA-N 1 0 200.282 0.265 10 0 BCAERO CCO[C@@H]1C[C@H]1C(=O)N(C)[C@@H](C)C[NH3+] ZINC000179204185 535524561 /nfs/dbraw/zinc/52/45/61/535524561.db2.gz LZAHXKMKIZOQNI-DJLDLDEBSA-N 1 0 200.282 0.217 10 0 BCAERO CCOc1cccnc1C(=O)NC[C@H](C)[NH2+]C ZINC000261615354 535555246 /nfs/dbraw/zinc/55/52/46/535555246.db2.gz ARIIGLBAIOROAX-VIFPVBQESA-N 1 0 237.303 0.818 10 0 BCAERO CCOc1cncc(N2CC[C@@H]([NH3+])[C@H]2C)n1 ZINC000261572760 535566214 /nfs/dbraw/zinc/56/62/14/535566214.db2.gz IFZMFABEARYZEU-RKDXNWHRSA-N 1 0 222.292 0.801 10 0 BCAERO CCOc1cncc(N2C[C@H](C)[C@H]([NH3+])C2)n1 ZINC000261533395 535567128 /nfs/dbraw/zinc/56/71/28/535567128.db2.gz HWNKABXGGMBICS-DTWKUNHWSA-N 1 0 222.292 0.659 10 0 BCAERO CCO[C@H](C[NH3+])CN1CC(=O)Nc2ccccc21 ZINC000062739445 535611610 /nfs/dbraw/zinc/61/16/10/535611610.db2.gz KQBJVHXNIQRUDZ-SNVBAGLBSA-N 1 0 249.314 0.809 10 0 BCAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)N(C)c1cnn(C)c1 ZINC000262627503 535652783 /nfs/dbraw/zinc/65/27/83/535652783.db2.gz CGUDMWJZLJENMQ-PSASIEDQSA-N 1 0 224.308 0.756 10 0 BCAERO CC[C@@H](CC[NH3+])N1CCN(c2cnccn2)CC1 ZINC000037039555 535739699 /nfs/dbraw/zinc/73/96/99/535739699.db2.gz JRUQSQLJBUFNJT-LBPRGKRZSA-N 1 0 249.362 0.726 10 0 BCAERO CC[C@@H]1CCC[C@@H]1NC(=O)[C@@H]([NH3+])COC ZINC000261552371 535821964 /nfs/dbraw/zinc/82/19/64/535821964.db2.gz RFZLKXMYUKUGLD-UTLUCORTSA-N 1 0 214.309 0.655 10 0 BCAERO CC[C@@H](O)C[N@@H+]1CCC[C@@H](n2cncn2)C1 ZINC000173758036 535812765 /nfs/dbraw/zinc/81/27/65/535812765.db2.gz POEQLHPMZPKWNN-GHMZBOCLSA-N 1 0 224.308 0.686 10 0 BCAERO CC[C@@H]1CN2C=NC(N3CC[NH2+]CC3)=CC2=N1 ZINC000334160124 535872686 /nfs/dbraw/zinc/87/26/86/535872686.db2.gz GQNUSGGRIMOHTI-SNVBAGLBSA-N 1 0 233.319 0.268 10 0 BCAERO C[NH+](C)CCN1CCN(c2ncccc2N)CC1 ZINC000035081368 535877732 /nfs/dbraw/zinc/87/77/32/535877732.db2.gz FZYHRGZMSCDXLG-UHFFFAOYSA-N 1 0 249.362 0.347 10 0 BCAERO CCn1nccc1NC(=O)[C@H]1CC[NH2+]C1 ZINC000261546822 535884664 /nfs/dbraw/zinc/88/46/64/535884664.db2.gz LHMNFHANBWUWDD-QMMMGPOBSA-N 1 0 208.265 0.451 10 0 BCAERO C[NH+](C)CCNC(=O)c1ccc2c(c1)NC(=O)C2 ZINC000187649761 535889299 /nfs/dbraw/zinc/88/92/99/535889299.db2.gz MHBKAURQEVVIDU-UHFFFAOYSA-N 1 0 247.298 0.473 10 0 BCAERO CCn1ncnc1CN1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000248735306 535894086 /nfs/dbraw/zinc/89/40/86/535894086.db2.gz NMKBKSIMTLSWOX-NEPJUHHUSA-N 1 0 249.362 0.967 10 0 BCAERO CCn1ncnc1CN1CC[C@H](C)C[C@H]1C[NH3+] ZINC000261544757 535894777 /nfs/dbraw/zinc/89/47/77/535894777.db2.gz ZPVLDMBLCFWKPO-QWRGUYRKSA-N 1 0 237.351 0.857 10 0 BCAERO CN(C(=O)CCC(F)(F)F)C1C[NH2+]C1 ZINC000085257493 535967038 /nfs/dbraw/zinc/96/70/38/535967038.db2.gz XVKRZNVVTQSOQL-UHFFFAOYSA-N 1 0 210.199 0.759 10 0 BCAERO CCn1c(C)nnc1CN[C@@](C)(C[NH3+])C1CC1 ZINC000262011275 535975373 /nfs/dbraw/zinc/97/53/73/535975373.db2.gz UIFXBTRMEYGFSM-LBPRGKRZSA-N 1 0 237.351 0.823 10 0 BCAERO CC[C@@](C)(C[NH3+])N1CCN(c2ncccn2)CC1 ZINC000019519396 535979331 /nfs/dbraw/zinc/97/93/31/535979331.db2.gz SROSRCLUWLWHIT-ZDUSSCGKSA-N 1 0 249.362 0.726 10 0 BCAERO CC[C@@](C)(O)C[N@@H+]1CC[C@H](C(=O)OC)C1 ZINC000168128710 536003476 /nfs/dbraw/zinc/00/34/76/536003476.db2.gz MREYBDXSHULAKH-GXSJLCMTSA-N 1 0 215.293 0.642 10 0 BCAERO CCc1cnc(CN(C)C(=O)C2C[NH2+]C2)s1 ZINC000262214343 536028714 /nfs/dbraw/zinc/02/87/14/536028714.db2.gz JNLAEICJJDIBIC-UHFFFAOYSA-N 1 0 239.344 0.883 10 0 BCAERO CC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](CCO)C1 ZINC000227573497 536163520 /nfs/dbraw/zinc/16/35/20/536163520.db2.gz IRGBSMDKPOFLJH-SRVKXCTJSA-N 1 0 242.363 0.994 10 0 BCAERO COC(=O)C[C@@H](C)NC(=O)CC[C@H]1CCC[NH2+]1 ZINC000261556486 536304163 /nfs/dbraw/zinc/30/41/63/536304163.db2.gz QUOJHQXUAGWHMW-NXEZZACHSA-N 1 0 242.319 0.586 10 0 BCAERO COC(=O)C[C@H](C)NC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000261556487 536337094 /nfs/dbraw/zinc/33/70/94/536337094.db2.gz QUOJHQXUAGWHMW-UWVGGRQHSA-N 1 0 242.319 0.586 10 0 BCAERO C[NH2+][C@@H](C)CNC(=O)Cc1c(C)noc1C ZINC000261572762 536339275 /nfs/dbraw/zinc/33/92/75/536339275.db2.gz IFZVQNYPJKTEMI-ZETCQYMHSA-N 1 0 225.292 0.558 10 0 BCAERO COC(=O)C[C@H]1CSCC[N@@H+]1[C@H]1CCOC1 ZINC000259819559 536357601 /nfs/dbraw/zinc/35/76/01/536357601.db2.gz WHVIRNIXUYMJAP-UWVGGRQHSA-N 1 0 245.344 0.756 10 0 BCAERO C[NH2+][C@@H]1CCCN(c2nccc(OC)n2)C1 ZINC000053204932 536366311 /nfs/dbraw/zinc/36/63/11/536366311.db2.gz DSBGYLHQKGBAHG-SECBINFHSA-N 1 0 222.292 0.673 10 0 BCAERO C[NH2+][C@H](C)CNC(=O)COC1CCCC1 ZINC000261547188 536392238 /nfs/dbraw/zinc/39/22/38/536392238.db2.gz LZXZDXOREYWRLR-SECBINFHSA-N 1 0 214.309 0.670 10 0 BCAERO C[NH2+][C@H](C)CNC(=O)c1ccnc(C2CC2)n1 ZINC000261717090 536401702 /nfs/dbraw/zinc/40/17/02/536401702.db2.gz KLDUXYCKWHACRP-MRVPVSSYSA-N 1 0 234.303 0.692 10 0 BCAERO C[NH2+][C@H](C)CNC(=O)c1csc2cncn21 ZINC000261714066 536402165 /nfs/dbraw/zinc/40/21/65/536402165.db2.gz KFTQKTCAYDNCBX-SSDOTTSWSA-N 1 0 238.316 0.734 10 0 BCAERO C[NH2+][C@H](C)CNS(=O)(=O)N1CCC[C@H](C)C1 ZINC000261532992 536402671 /nfs/dbraw/zinc/40/26/71/536402671.db2.gz FLCMNQHHVNIHCE-VHSXEESVSA-N 1 0 249.380 0.161 10 0 BCAERO C[NH2+][C@H](C)CNS(=O)(=O)c1ccc(C)o1 ZINC000261552655 536403218 /nfs/dbraw/zinc/40/32/18/536403218.db2.gz RQMMGLBSJQXTHB-SSDOTTSWSA-N 1 0 232.305 0.474 10 0 BCAERO CN(C[C@@H](O)C(F)(F)F)C[C@H]1CC[N@H+](C)C1 ZINC000250605696 536416505 /nfs/dbraw/zinc/41/65/05/536416505.db2.gz LEQGRHSZRUNCSQ-DTWKUNHWSA-N 1 0 240.269 0.793 10 0 BCAERO COC(=O)C(C)(C)CNC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000261619723 536425503 /nfs/dbraw/zinc/42/55/03/536425503.db2.gz DCIAYRIKQDHPJD-RKDXNWHRSA-N 1 0 242.319 0.157 10 0 BCAERO C[NH2+]C[C@H](C)C(=O)N[C@H](C)[C@H]1CCCO1 ZINC000252637404 536461886 /nfs/dbraw/zinc/46/18/86/536461886.db2.gz HSFDDPCPZQRPSG-IVZWLZJFSA-N 1 0 214.309 0.526 10 0 BCAERO COC(=O)CN1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261527665 536472296 /nfs/dbraw/zinc/47/22/96/536472296.db2.gz FKGFNWRJSNNAGL-QMMMGPOBSA-N 1 0 200.282 0.219 10 0 BCAERO CO[C@H](C[NH3+])C(=O)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000261539451 536558584 /nfs/dbraw/zinc/55/85/84/536558584.db2.gz CLPSXHZKIQVZQS-OUAUKWLOSA-N 1 0 226.320 0.609 10 0 BCAERO COCCCNC(=O)[C@@H]1CCC[NH2+][C@H]1C ZINC000087122105 536581445 /nfs/dbraw/zinc/58/14/45/536581445.db2.gz YTEXEENTYZSXHA-VHSXEESVSA-N 1 0 214.309 0.527 10 0 BCAERO COC(=O)[C@H](C)[N@@H+]1CC[C@@H](CCO)C1 ZINC000227568430 536631110 /nfs/dbraw/zinc/63/11/10/536631110.db2.gz CHYIDZXIORVTQE-IUCAKERBSA-N 1 0 201.266 0.252 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N(CC(C)C)C1CC1 ZINC000088003209 536653505 /nfs/dbraw/zinc/65/35/05/536653505.db2.gz FTGQIEVOYVCDII-SNVBAGLBSA-N 1 0 214.309 0.607 10 0 BCAERO COC[C@@H]([NH3+])C(=O)NCc1ccc(C)cc1C ZINC000262336526 536660652 /nfs/dbraw/zinc/66/06/52/536660652.db2.gz SFXDOYDODJUHDO-GFCCVEGCSA-N 1 0 236.315 0.893 10 0 BCAERO COC[C@@H]([NH3+])C(=O)NCc1cnc(C)s1 ZINC000088003691 536665558 /nfs/dbraw/zinc/66/55/58/536665558.db2.gz HHTOAGHTGJUGMG-MRVPVSSYSA-N 1 0 229.305 0.041 10 0 BCAERO COc1cc(C)nc(N2CC[C@@H]3C[NH2+]C[C@@H]3C2)n1 ZINC000261554098 536700546 /nfs/dbraw/zinc/70/05/46/536700546.db2.gz ARRXNBUOBAYTOI-GHMZBOCLSA-N 1 0 248.330 0.839 10 0 BCAERO COc1cc(C)nc(N2CC[C@@]3(CC[NH2+]C3)C2)n1 ZINC000257678708 536700820 /nfs/dbraw/zinc/70/08/20/536700820.db2.gz GJSBPDCTTDLGDX-CYBMUJFWSA-N 1 0 248.330 0.983 10 0 BCAERO COCCN(C)C(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000085011459 536770229 /nfs/dbraw/zinc/77/02/29/536770229.db2.gz FSFXJEASYSGMEZ-RKDXNWHRSA-N 1 0 200.282 0.219 10 0 BCAERO COC[C@H]([NH3+])C(=O)NCCc1ccccc1O ZINC000262356191 536862060 /nfs/dbraw/zinc/86/20/60/536862060.db2.gz VAXZAGZFOAAYFU-JTQLQIEISA-N 1 0 238.287 0.025 10 0 BCAERO COC[C@H]([NH3+])C(=O)NC[C@@H](O)C1CCCCC1 ZINC000262360676 536864403 /nfs/dbraw/zinc/86/44/03/536864403.db2.gz VNNNSGNRGUDHRJ-WDEREUQCSA-N 1 0 244.335 0.018 10 0 BCAERO COCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCCN1 ZINC000261998294 536894631 /nfs/dbraw/zinc/89/46/31/536894631.db2.gz UFJQDINCKHKLDK-UTUOFQBUSA-N 1 0 228.336 0.380 10 0 BCAERO Cc1c(Cl)cnn1CC[C@@H]([NH3+])C(N)=O ZINC000070704614 537881308 /nfs/dbraw/zinc/88/13/08/537881308.db2.gz YTGGAAMUUMXWIQ-SSDOTTSWSA-N 1 0 216.672 0.048 10 0 BCAERO Cc1nn(CC[C@H]([NH3+])C(N)=O)cc1Cl ZINC000070704340 537881491 /nfs/dbraw/zinc/88/14/91/537881491.db2.gz LKYCCLODGODSED-ZETCQYMHSA-N 1 0 216.672 0.048 10 0 BCAERO CC[NH2+]Cc1[nH]nnc1-c1ccnn1C ZINC000725256855 538059760 /nfs/dbraw/zinc/05/97/60/538059760.db2.gz BOAZPTZBWRNPOE-UHFFFAOYSA-N 1 0 206.253 0.315 10 0 BCAERO Cn1nccc1-c1ncn2c1C[NH2+]CC2 ZINC000725257198 538062021 /nfs/dbraw/zinc/06/20/21/538062021.db2.gz IRPBRQMBHBKCOJ-UHFFFAOYSA-N 1 0 203.249 0.387 10 0 BCAERO CC[NH2+]Cc1nc(-c2ccnn2C)cc(=O)[nH]1 ZINC000725257516 538066143 /nfs/dbraw/zinc/06/61/43/538066143.db2.gz RUUFPNNJLGMLAO-UHFFFAOYSA-N 1 0 233.275 0.692 10 0 BCAERO CN(C)[S@](C)(=O)=NC[C@H]1CCC[NH2+]C1 ZINC000725259441 566305672 /nfs/dbraw/zinc/30/56/72/566305672.db2.gz XWBXPBYRUCMEKD-LKFCYVNXSA-N 1 0 219.354 0.560 10 0 BCAERO CCN1CCO[C@H](C[NH2+][C@@H]2CCO[C@@H]2C)C1 ZINC000149679387 566405621 /nfs/dbraw/zinc/40/56/21/566405621.db2.gz BCIBTIVQEOZHGM-IJLUTSLNSA-N 1 0 228.336 0.474 10 0 BCAERO CNS(=O)(=O)C1CCC(C)([NH+](C)C)CC1 ZINC000669376249 566422740 /nfs/dbraw/zinc/42/27/40/566422740.db2.gz LSXDLUKJCMHHKL-UHFFFAOYSA-N 1 0 234.365 0.799 10 0 BCAERO CC[C@H](C)[NH2+]C[C@@H](O)C[C@]1(O)CCOC1 ZINC000669381293 566425918 /nfs/dbraw/zinc/42/59/18/566425918.db2.gz FFVBKSQWCJGHNH-GARJFASQSA-N 1 0 217.309 0.277 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H](c2nc(-c3nccn3C)no2)O1 ZINC000854141498 588776435 /nfs/dbraw/zinc/77/64/35/588776435.db2.gz CTXFSNIPVSFJLB-HTQZYQBOSA-N 1 0 249.274 0.520 10 0 BCAERO CCOc1cc(N2CC[C@@H]2C[NH3+])ncn1 ZINC000757139110 582519300 /nfs/dbraw/zinc/51/93/00/582519300.db2.gz AAVGIVDAGCKXOQ-MRVPVSSYSA-N 1 0 208.265 0.413 10 0 BCAERO Cc1c[nH+]c(N2CC[C@H]2C(N)=O)cc1N ZINC000757140033 582520360 /nfs/dbraw/zinc/52/03/60/582520360.db2.gz DKYARJKHSFRUFD-QMMMGPOBSA-N 1 0 206.249 0.036 10 0 BCAERO CC(C)(C)[C@H]1CCO[C@]2(CCS(=O)(=O)C2)[NH2+]1 ZINC000757139751 582520400 /nfs/dbraw/zinc/52/04/00/582520400.db2.gz JXZRFZKAZJDESQ-KOLCDFICSA-N 1 0 247.360 0.926 10 0 BCAERO Cc1cc(=O)[nH]c(CN2CC[C@@H]2C[NH3+])n1 ZINC000757143639 582523898 /nfs/dbraw/zinc/52/38/98/582523898.db2.gz HJVUOWHADAXEGJ-MRVPVSSYSA-N 1 0 208.265 0.024 10 0 BCAERO CN1CCOC[C@@]12C[NH2+][C@@]1(CCSC1)OC2 ZINC000757144302 582524907 /nfs/dbraw/zinc/52/49/07/582524907.db2.gz NQHNILOGKOCRTR-MNOVXSKESA-N 1 0 244.360 0.140 10 0 BCAERO Cc1[nH+]c(N2CC[C@@H]2C(N)=O)ccc1N ZINC000757144391 582525583 /nfs/dbraw/zinc/52/55/83/582525583.db2.gz JDIQBWWCQMTRCF-MRVPVSSYSA-N 1 0 206.249 0.036 10 0 BCAERO CC1CCC2(CC1)[NH2+]C[C@@]1(COCCN1)CO2 ZINC000757146209 582529303 /nfs/dbraw/zinc/52/93/03/582529303.db2.gz QRYAKFRJQBHNHO-OTTFEQOBSA-N 1 0 240.347 0.871 10 0 BCAERO [NH3+]C[C@H]1CCN1CCOC[C@@H]1CCCO1 ZINC000757146482 582530219 /nfs/dbraw/zinc/53/02/19/582530219.db2.gz NWPLFPJVGHYJGE-MNOVXSKESA-N 1 0 214.309 0.215 10 0 BCAERO CC[C@H]([NH3+])CS(=O)(=O)N1CCCCC1 ZINC000757147216 582531444 /nfs/dbraw/zinc/53/14/44/582531444.db2.gz AYKCPFDVIAILRG-VIFPVBQESA-N 1 0 220.338 0.539 10 0 BCAERO C1OCC12C[NH2+]C1(CCSCC1)OC2 ZINC000757148517 582532931 /nfs/dbraw/zinc/53/29/31/582532931.db2.gz VFPUCALAPZHLGE-UHFFFAOYSA-N 1 0 215.318 0.846 10 0 BCAERO CC(C)(C)[C@@H](C[NH3+])CN1CC[C@@H]1C(N)=O ZINC000757148868 582533105 /nfs/dbraw/zinc/53/31/05/582533105.db2.gz UIDXSDUACRAFJO-DTWKUNHWSA-N 1 0 213.325 0.167 10 0 BCAERO CC[C@@H](C)[C@H]([NH3+])CS(=O)(=O)N1CCCC1 ZINC000757150183 582533741 /nfs/dbraw/zinc/53/37/41/582533741.db2.gz FCWFCDPWXCXYTA-NXEZZACHSA-N 1 0 234.365 0.785 10 0 BCAERO C1C[C@]2(CO1)CC[NH2+][C@]1(CN3CCC1CC3)O2 ZINC000757149945 582534095 /nfs/dbraw/zinc/53/40/95/582534095.db2.gz WMKFPKQHPRMPEB-QWHCGFSZSA-N 1 0 238.331 0.577 10 0 BCAERO NC(=O)[C@H]1CCN1CC1(C[NH3+])CCCC1 ZINC000757150608 582534748 /nfs/dbraw/zinc/53/47/48/582534748.db2.gz WMWPVGHRYGGIKI-SECBINFHSA-N 1 0 211.309 0.065 10 0 BCAERO CCN(C)S(=O)(=O)C[C@@H]([NH3+])C1CC1 ZINC000757151618 582535545 /nfs/dbraw/zinc/53/55/45/582535545.db2.gz NCOQIONCXSYUBU-MRVPVSSYSA-N 1 0 206.311 0.005 10 0 BCAERO NC(=O)[C@H]([NH3+])CSCc1ccc(Cl)o1 ZINC000757166927 582547634 /nfs/dbraw/zinc/54/76/34/582547634.db2.gz XZMNTUWHCVYSMI-ZCFIWIBFSA-N 1 0 234.708 0.979 10 0 BCAERO [NH3+][C@@H]1C[NH2+]C[C@H](c2cccc(C(=O)[O-])c2)C1 ZINC000757216023 582560590 /nfs/dbraw/zinc/56/05/90/582560590.db2.gz OJKWGJJZAKZBNH-MNOVXSKESA-N 1 0 220.272 0.789 10 0 BCAERO [NH3+][C@@H]1CNC[C@@H](c2ccc(C=O)s2)C1 ZINC000757218600 582561472 /nfs/dbraw/zinc/56/14/72/582561472.db2.gz VELHQQLEUVCRTM-YUMQZZPRSA-N 1 0 210.302 0.965 10 0 BCAERO O=C([O-])[C@H]1CCC[NH2+][C@@H]1C1CC[NH2+]CC1 ZINC000757218615 582561547 /nfs/dbraw/zinc/56/15/47/582561547.db2.gz VHJUSKMWADMQRW-VHSXEESVSA-N 1 0 212.293 0.439 10 0 BCAERO Cc1nn(C)c2nn3c(nccc3C[NH3+])c12 ZINC000235959087 582632616 /nfs/dbraw/zinc/63/26/16/582632616.db2.gz TZZFDUSUMLPTRT-UHFFFAOYSA-N 1 0 216.248 0.383 10 0 BCAERO [NH3+]CCCc1nc2n(n1)[C@@H](C1CC1)CCN2 ZINC000236209172 582640956 /nfs/dbraw/zinc/64/09/56/582640956.db2.gz CMUZIVRVNSKZNI-SECBINFHSA-N 1 0 221.308 0.936 10 0 BCAERO NC1=[NH+]CC[C@H](c2ccc3c(c2)OCO3)N1 ZINC000236187281 582641010 /nfs/dbraw/zinc/64/10/10/582641010.db2.gz RJFBAYZPWKRHIQ-MRVPVSSYSA-N 1 0 219.244 0.764 10 0 BCAERO [NH3+]CCCc1nc2n(n1)[C@@H]1CCC[C@@H]1CN2 ZINC000236213510 582641403 /nfs/dbraw/zinc/64/14/03/582641403.db2.gz ZBMQLOSJJRTDFW-RKDXNWHRSA-N 1 0 221.308 0.936 10 0 BCAERO [NH3+]CCCc1nc2n(n1)[C@H]1CCC[C@H]1CN2 ZINC000236212682 582641762 /nfs/dbraw/zinc/64/17/62/582641762.db2.gz ZBMQLOSJJRTDFW-IUCAKERBSA-N 1 0 221.308 0.936 10 0 BCAERO Nc1[nH+]ccn1C[C@@H]1CCCS1(=O)=O ZINC000236347404 582653268 /nfs/dbraw/zinc/65/32/68/582653268.db2.gz UWZSSLSRCGJDKX-ZETCQYMHSA-N 1 0 215.278 0.043 10 0 BCAERO CCCC(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725259215 582798483 /nfs/dbraw/zinc/79/84/83/582798483.db2.gz PNSUTTAJUNJCFJ-UHFFFAOYSA-N 1 0 208.265 0.766 10 0 BCAERO CC[C@@H](C)NC(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725259675 582803053 /nfs/dbraw/zinc/80/30/53/582803053.db2.gz GRXXSMDBLYHBDL-MRVPVSSYSA-N 1 0 237.307 0.947 10 0 BCAERO Nc1[nH+]ccn1C[C@H]1CCCCS1(=O)=O ZINC000702620006 582926463 /nfs/dbraw/zinc/92/64/63/582926463.db2.gz LLGULHCEOFAWGB-MRVPVSSYSA-N 1 0 229.305 0.433 10 0 BCAERO Cn1cncc1CCCn1cc[nH+]c1N ZINC000702620500 582926738 /nfs/dbraw/zinc/92/67/38/582926738.db2.gz IQYMKZOXMWGLDE-UHFFFAOYSA-N 1 0 205.265 0.832 10 0 BCAERO CCN1CCO[C@@H](Cn2cc[nH+]c2N)C1 ZINC000702470766 582926763 /nfs/dbraw/zinc/92/67/63/582926763.db2.gz FWPGACOCEUIFJH-SECBINFHSA-N 1 0 210.281 0.186 10 0 BCAERO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCN(CCO)C2)CCO1 ZINC000395114184 583042621 /nfs/dbraw/zinc/04/26/21/583042621.db2.gz KHSHUOGPZYQNAX-FRRDWIJNSA-N 1 0 242.363 0.600 10 0 BCAERO CC[N@@H+]1CC[C@H](NC(=O)N[C@H]2CCOC2)C1 ZINC000390015609 583086271 /nfs/dbraw/zinc/08/62/71/583086271.db2.gz UQFIIRVOOLVVEI-UWVGGRQHSA-N 1 0 227.308 0.169 10 0 BCAERO COC[C@H]([NH2+]C1CCN(CCO)CC1)C1CC1 ZINC000399012747 583169230 /nfs/dbraw/zinc/16/92/30/583169230.db2.gz ZAQQZPGKDIFJHV-ZDUSSCGKSA-N 1 0 242.363 0.458 10 0 BCAERO O[C@@]1(C[NH2+]CCc2ccccc2)CCOC1 ZINC000221245180 583177289 /nfs/dbraw/zinc/17/72/89/583177289.db2.gz XGJZPDBXNLNXBY-CYBMUJFWSA-N 1 0 221.300 0.970 10 0 BCAERO C[C@H]1C[NH2+]C[C@H](c2nc(C3CC3)no2)O1 ZINC000399652408 583192431 /nfs/dbraw/zinc/19/24/31/583192431.db2.gz CAALLKDPWKPGBW-POYBYMJQSA-N 1 0 209.249 0.996 10 0 BCAERO CCOC[C@H]1C[NH2+]C[C@H]1c1cnn(C)c1 ZINC000399835509 583212107 /nfs/dbraw/zinc/21/21/07/583212107.db2.gz IZMJNDJSCSTSRX-MNOVXSKESA-N 1 0 209.293 0.760 10 0 BCAERO O=C(NOCC(F)(F)F)[C@@H]1CC[NH2+]C1 ZINC000133878692 584945600 /nfs/dbraw/zinc/94/56/00/584945600.db2.gz CSHYVYPZCIDLNG-RXMQYKEDSA-N 1 0 212.171 0.206 10 0 BCAERO Cc1cc(N[C@H]2CCO[C@H]2C)nc(N)[nH+]1 ZINC000134608264 584953840 /nfs/dbraw/zinc/95/38/40/584953840.db2.gz SEXWXDWDDKBUHS-YUMQZZPRSA-N 1 0 208.265 0.957 10 0 BCAERO CC[C@@H](COC)n1nnc2c1nc[nH+]c2NN ZINC000757569629 586366719 /nfs/dbraw/zinc/36/67/19/586366719.db2.gz UBRWEGPJWDJTRE-LURJTMIESA-N 1 0 237.267 0.104 10 0 BCAERO [NH3+]C[C@H]1CCN1c1ccnc(C2CC2)n1 ZINC000757140748 586427652 /nfs/dbraw/zinc/42/76/52/586427652.db2.gz FKTOETXTAQBZEF-SECBINFHSA-N 1 0 204.277 0.891 10 0 BCAERO CSc1ccnc(N2CC[C@H]2C[NH3+])n1 ZINC000757145400 586428154 /nfs/dbraw/zinc/42/81/54/586428154.db2.gz LBTJBUPEAHPAOR-ZETCQYMHSA-N 1 0 210.306 0.736 10 0 BCAERO CN1CC[C@@]2(C1)[NH2+]CC(C)(C)[C@@]1(CCOC1)O2 ZINC000757142288 586428172 /nfs/dbraw/zinc/42/81/72/586428172.db2.gz LAKVECDSTWPJHK-QWHCGFSZSA-N 1 0 240.347 0.823 10 0 BCAERO CN1CC[C@]2(C1)[NH2+]CC(C)(C)[C@]1(CCOC1)O2 ZINC000757142286 586428235 /nfs/dbraw/zinc/42/82/35/586428235.db2.gz LAKVECDSTWPJHK-OLZOCXBDSA-N 1 0 240.347 0.823 10 0 BCAERO COc1nscc1CN1CC[C@H]1C[NH3+] ZINC000757147233 586428802 /nfs/dbraw/zinc/42/88/02/586428802.db2.gz SWFZNVUDVPRLBX-QMMMGPOBSA-N 1 0 213.306 0.685 10 0 BCAERO COc1nscc1CN1CC[C@@H]1C[NH3+] ZINC000757147232 586429130 /nfs/dbraw/zinc/42/91/30/586429130.db2.gz SWFZNVUDVPRLBX-MRVPVSSYSA-N 1 0 213.306 0.685 10 0 BCAERO CCCC[C@H]([NH3+])CS(=O)(=O)N(C)CC ZINC000757154108 586429452 /nfs/dbraw/zinc/42/94/52/586429452.db2.gz WHPNEZXCRKQWJB-VIFPVBQESA-N 1 0 222.354 0.785 10 0 BCAERO COC(=O)CCc1nc(C2([NH3+])CCC2)no1 ZINC000757181424 586433640 /nfs/dbraw/zinc/43/36/40/586433640.db2.gz BTWAZXWXWPHDFF-UHFFFAOYSA-N 1 0 225.248 0.513 10 0 BCAERO COC(=O)[C@H]1C[NH2+]C[C@@H]1c1nccs1 ZINC000757186731 586434102 /nfs/dbraw/zinc/43/41/02/586434102.db2.gz FHYSVBXKXSHRIX-BQBZGAKWSA-N 1 0 212.274 0.619 10 0 BCAERO CCOC(=O)[C@@H]1C[NH2+]C[C@@]12CCN(C)C2 ZINC000757186060 586434392 /nfs/dbraw/zinc/43/43/92/586434392.db2.gz VMXWYPMGLCLVLY-GXSJLCMTSA-N 1 0 212.293 0.091 10 0 BCAERO COC(=O)[C@@H]1C[NH2+]C[C@H]1c1scnc1C ZINC000757187981 586435181 /nfs/dbraw/zinc/43/51/81/586435181.db2.gz JCNXMHBHLFMXIZ-HTQZYQBOSA-N 1 0 226.301 0.928 10 0 BCAERO CCOC(=O)[C@H]1C[NH2+]C[C@@H]1c1cc[nH]n1 ZINC000757191293 586435639 /nfs/dbraw/zinc/43/56/39/586435639.db2.gz SODLFKOKMQZHAP-YUMQZZPRSA-N 1 0 209.249 0.276 10 0 BCAERO CCCCCn1cnc(C[C@H]([NH3+])CO)c1 ZINC000757190423 586435657 /nfs/dbraw/zinc/43/56/57/586435657.db2.gz PFAVPEDTCPUNIL-JTQLQIEISA-N 1 0 211.309 0.935 10 0 BCAERO CC[C@@H](C)Cn1cnc(C[C@@H]([NH3+])CO)c1 ZINC000757193254 586436405 /nfs/dbraw/zinc/43/64/05/586436405.db2.gz ZSDFTVCIYICNOQ-NXEZZACHSA-N 1 0 211.309 0.791 10 0 BCAERO [NH3+]CC[C@H]1CCC[C@@]12CCS(=O)(=O)C2 ZINC000757194263 586436513 /nfs/dbraw/zinc/43/65/13/586436513.db2.gz BNJOUXFOZFLVQH-ZJUUUORDSA-N 1 0 217.334 0.940 10 0 BCAERO [NH3+]C[C@H]1OCCC12C[C@H]1CC[C@@H](C2)S1(=O)=O ZINC000757207362 586437250 /nfs/dbraw/zinc/43/72/50/586437250.db2.gz CSDNEGAMEZMEFK-GZBOUJLJSA-N 1 0 245.344 0.460 10 0 BCAERO COC(=O)[C@@H]1CC[NH2+][C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000757206728 586437266 /nfs/dbraw/zinc/43/72/66/586437266.db2.gz AJIBQGJYXOXPND-OUAUKWLOSA-N 1 0 226.320 0.527 10 0 BCAERO O=C([O-])[C@H]1CCC[C@H](C2CC[NH2+]CC2)[NH2+]1 ZINC000757207965 586438091 /nfs/dbraw/zinc/43/80/91/586438091.db2.gz BZLLTQPLCANLJR-NXEZZACHSA-N 1 0 212.293 0.581 10 0 BCAERO O=C([O-])[C@@H]1[NH2+]CCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000757209463 586438347 /nfs/dbraw/zinc/43/83/47/586438347.db2.gz FEZGUBQYCQHDTL-OPRDCNLKSA-N 1 0 212.293 0.439 10 0 BCAERO C[C@@H]1C[C@H](C)[C@@H](C[NH3+])[C@@H](c2cnnn2C)N1 ZINC000757209953 586438491 /nfs/dbraw/zinc/43/84/91/586438491.db2.gz GREBRAXKBAXTBP-SJQPAMGKSA-N 1 0 223.324 0.449 10 0 BCAERO [NH3+]Cc1cccc([C@@H]2C[NH2+]C[C@H](C(=O)[O-])C2)c1 ZINC000757211626 586438787 /nfs/dbraw/zinc/43/87/87/586438787.db2.gz HURMBAKOHTWHFH-NWDGAFQWSA-N 1 0 234.299 0.923 10 0 BCAERO [NH3+][C@H]1CC[NH2+]C[C@H]1c1cccc(C(=O)[O-])c1 ZINC000757213358 586439518 /nfs/dbraw/zinc/43/95/18/586439518.db2.gz JRGBCUTXRUBAIQ-QWRGUYRKSA-N 1 0 220.272 0.789 10 0 BCAERO O=C([O-])[C@@H]1CC[NH2+]C[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000757215748 586440520 /nfs/dbraw/zinc/44/05/20/586440520.db2.gz NXQJTEDIGIHVFY-BBBLOLIVSA-N 1 0 212.293 0.296 10 0 BCAERO [NH3+]Cc1ccc([C@H]2C[NH2+]CC[C@@H]2C(=O)[O-])cc1 ZINC000757216481 586441033 /nfs/dbraw/zinc/44/10/33/586441033.db2.gz PSEPCDIKMYSYAT-NWDGAFQWSA-N 1 0 234.299 0.923 10 0 BCAERO C[C@@H]1C[C@H]([C@@H]2CCC[C@@H](C(=O)[O-])[NH2+]2)CC[NH2+]1 ZINC000757237609 586443644 /nfs/dbraw/zinc/44/36/44/586443644.db2.gz QKPJJJWLWGQREO-ZNSHCXBVSA-N 1 0 226.320 0.970 10 0 BCAERO C[NH+](C)CCn1nnc2c1ncnc2Cl ZINC000757568639 586462099 /nfs/dbraw/zinc/46/20/99/586462099.db2.gz QZPKGLIMVPQANV-UHFFFAOYSA-N 1 0 226.671 0.436 10 0 BCAERO CC[C@H]1CN(CCC(C)=O)CC[N@@H+]1C[C@@H](C)O ZINC000106104701 588252005 /nfs/dbraw/zinc/25/20/05/588252005.db2.gz OGEMJOCZPIUCHO-OLZOCXBDSA-N 1 0 242.363 0.743 10 0 BCAERO CC[N@@H+]1CCC[C@H]1CN(C)CCS(C)(=O)=O ZINC000106379322 588269591 /nfs/dbraw/zinc/26/95/91/588269591.db2.gz QJENCRBCQDPPLT-NSHDSACASA-N 1 0 248.392 0.447 10 0 BCAERO COC(=O)[C@H](C[NH3+])C1CCSCC1 ZINC000107145365 588331162 /nfs/dbraw/zinc/33/11/62/588331162.db2.gz QKHDHDRTEIZRNB-MRVPVSSYSA-N 1 0 203.307 0.878 10 0 BCAERO C1COC[C@@H](c2n[nH]c3c2C[NH2+]CC3)C1 ZINC000107243895 588344731 /nfs/dbraw/zinc/34/47/31/588344731.db2.gz VFZKBDBOAIETJD-QMMMGPOBSA-N 1 0 207.277 0.949 10 0 BCAERO Cc1cc(NC[C@H]2CN(C)CCO2)nc(N)[nH+]1 ZINC000110489911 588674431 /nfs/dbraw/zinc/67/44/31/588674431.db2.gz NZIABAXFWKHADQ-VIFPVBQESA-N 1 0 237.307 0.110 10 0 BCAERO COC[C@H](C)NC(=O)C[C@@H]([NH3+])C1CC1 ZINC000123491283 589731084 /nfs/dbraw/zinc/73/10/84/589731084.db2.gz VBKRHDJAMVJLQS-IONNQARKSA-N 1 0 200.282 0.265 10 0 BCAERO C[C@@H](O)CCNC(=O)C[C@@H]([NH3+])C1CC1 ZINC000124082185 589938793 /nfs/dbraw/zinc/93/87/93/589938793.db2.gz AOVPMJDHXDQTBH-VXNVDRBHSA-N 1 0 200.282 0.001 10 0 BCAERO COC[C@H](C)NC(=O)CCCCC[NH3+] ZINC000019519647 589942439 /nfs/dbraw/zinc/94/24/39/589942439.db2.gz GSPFFVQBDFPKQM-VIFPVBQESA-N 1 0 202.298 0.657 10 0 BCAERO COC(CN1C[C@H]([NH+](C)C)[C@@H](C)C1)OC ZINC000124577222 590059416 /nfs/dbraw/zinc/05/94/16/590059416.db2.gz QAIIIWLZVCTJAU-UWVGGRQHSA-N 1 0 216.325 0.487 10 0 BCAERO C[NH2+][C@H](C)c1nc(-c2ccncn2)no1 ZINC000124956345 590104035 /nfs/dbraw/zinc/10/40/35/590104035.db2.gz GSHRBKPYBTWEFX-ZCFIWIBFSA-N 1 0 205.221 0.807 10 0 BCAERO C[C@@H](C[NH3+])N(C)c1ccnc(N(C)C)n1 ZINC000125498668 590166585 /nfs/dbraw/zinc/16/65/85/590166585.db2.gz LFOLSGVUXIKAPW-QMMMGPOBSA-N 1 0 209.297 0.326 10 0 BCAERO C[C@@H]1CN(c2cncc(Cl)n2)CC[NH2+]1 ZINC000126497619 590321432 /nfs/dbraw/zinc/32/14/32/590321432.db2.gz YWQUIXCDNNKXOO-SSDOTTSWSA-N 1 0 212.684 0.928 10 0 BCAERO CC(C)[C@@H]([NH3+])CC(=O)N1CCOC[C@@H]1C ZINC000128921479 591187068 /nfs/dbraw/zinc/18/70/68/591187068.db2.gz LMXMRQWOPMJSHN-UWVGGRQHSA-N 1 0 214.309 0.607 10 0 BCAERO C[C@@H]1C[C@](N)(CC(N)=O)C[N@@H+]1Cc1ccccc1 ZINC000211633493 591208990 /nfs/dbraw/zinc/20/89/90/591208990.db2.gz RAZYONAFKOBSBO-RISCZKNCSA-N 1 0 247.342 0.854 10 0 BCAERO COC[C@@H]([NH3+])C(=O)Nc1cc(C(C)C)[nH]n1 ZINC000129146915 591259545 /nfs/dbraw/zinc/25/95/45/591259545.db2.gz JZXWKTANKAZNQI-SSDOTTSWSA-N 1 0 226.280 0.445 10 0 BCAERO [NH3+][C@H](C(=O)NC[C@@H]1CCC[C@H]1O)c1ccccc1 ZINC000129440899 591300188 /nfs/dbraw/zinc/30/01/88/591300188.db2.gz MZZITIYTNPEZOE-XQQFMLRXSA-N 1 0 248.326 0.964 10 0 BCAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)c1ccnnc1 ZINC000129445469 591301073 /nfs/dbraw/zinc/30/10/73/591301073.db2.gz NUPDXAXSBJOWTK-WCBMZHEXSA-N 1 0 220.276 0.347 10 0 BCAERO NC(=O)C[C@H]([NH3+])c1ccc(Br)cn1 ZINC000129916728 591417977 /nfs/dbraw/zinc/41/79/77/591417977.db2.gz QXQCHWXJBXWEQG-LURJTMIESA-N 1 0 244.092 0.719 10 0 BCAERO [NH3+]Cc1cc(C(=O)NC[C@@H]2CCC[C@@H]2O)ccn1 ZINC000130366792 591462641 /nfs/dbraw/zinc/46/26/41/591462641.db2.gz VUZIBCXPIXSLDV-JQWIXIFHSA-N 1 0 249.314 0.431 10 0 BCAERO CCNC(=S)N1C[C@H]([NH+](C)C)[C@@H](C)C1 ZINC000130402258 591464671 /nfs/dbraw/zinc/46/46/71/591464671.db2.gz CPEATDYTDKURMC-IUCAKERBSA-N 1 0 215.366 0.763 10 0 BCAERO COCCNC(=S)N1C[C@@H](C)[C@H]([NH+](C)C)C1 ZINC000130404886 591466019 /nfs/dbraw/zinc/46/60/19/591466019.db2.gz QLCFWTJJFJKJCS-NXEZZACHSA-N 1 0 245.392 0.389 10 0 BCAERO CCc1cc(CC)n(CC[C@H]([NH3+])C(N)=O)n1 ZINC000132541540 591718045 /nfs/dbraw/zinc/71/80/45/591718045.db2.gz YWOIXCCRXJYJQI-JTQLQIEISA-N 1 0 224.308 0.211 10 0 BCAERO CCc1cc(CC)n(C[C@@H]([NH2+]C)C(N)=O)n1 ZINC000132543386 591718587 /nfs/dbraw/zinc/71/85/87/591718587.db2.gz WJYFJTIYEDITHB-SNVBAGLBSA-N 1 0 224.308 0.081 10 0 BCAERO C[C@@H]1OCC[C@H]1NC(=O)C(C)(C)C[NH3+] ZINC000134248905 591907114 /nfs/dbraw/zinc/90/71/14/591907114.db2.gz YPPGOFICZOLQRW-JGVFFNPUSA-N 1 0 200.282 0.265 10 0 BCAERO C[C@@H]1OCC[C@H]1NC(=O)C[C@H]([NH3+])C1CC1 ZINC000134257370 591907816 /nfs/dbraw/zinc/90/78/16/591907816.db2.gz MYZVALYCETWZQA-UJNFCWOMSA-N 1 0 212.293 0.407 10 0 BCAERO CCC[C@](C)([NH3+])C(=O)N[C@@H]1CCO[C@@H]1C ZINC000134549314 591935907 /nfs/dbraw/zinc/93/59/07/591935907.db2.gz MMVKXXQKTQVHGO-KKZNHRDASA-N 1 0 214.309 0.798 10 0 BCAERO C[C@@H]1OCC[C@H]1NC(=O)C1CC[NH2+]CC1 ZINC000134556584 591935902 /nfs/dbraw/zinc/93/59/02/591935902.db2.gz XGJBAVYURXUJLD-WCBMZHEXSA-N 1 0 212.293 0.280 10 0 BCAERO Cc1cc(N[C@H]2CCO[C@@H]2C)nc(N)[nH+]1 ZINC000134608221 591941960 /nfs/dbraw/zinc/94/19/60/591941960.db2.gz SEXWXDWDDKBUHS-SFYZADRCSA-N 1 0 208.265 0.957 10 0 BCAERO COc1cc(OC)nc(NCC2CC([NH3+])C2)n1 ZINC000135020376 591973642 /nfs/dbraw/zinc/97/36/42/591973642.db2.gz GZPOTVDWJDBERD-UHFFFAOYSA-N 1 0 238.291 0.643 10 0 BCAERO CCN(CC(=O)NC)C(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000136165098 592099546 /nfs/dbraw/zinc/09/95/46/592099546.db2.gz WZQXOPBDIWTQBR-GFCCVEGCSA-N 1 0 241.335 0.113 10 0 BCAERO CCN(CC(=O)NC)C(=O)[C@]1(C)CCCC[NH2+]1 ZINC000136165061 592099896 /nfs/dbraw/zinc/09/98/96/592099896.db2.gz WZQXOPBDIWTQBR-LBPRGKRZSA-N 1 0 241.335 0.113 10 0 BCAERO [NH3+][C@@H](CC(=O)N1CCn2ccnc2C1)C1CC1 ZINC000137396635 592176214 /nfs/dbraw/zinc/17/62/14/592176214.db2.gz BBPCBLPHZKKMGJ-JTQLQIEISA-N 1 0 234.303 0.353 10 0 BCAERO Cn1cc(N2CC[NH+](CC(C)(C)O)CC2)cn1 ZINC000074798639 592307732 /nfs/dbraw/zinc/30/77/32/592307732.db2.gz IBRNPWORXQFSOL-UHFFFAOYSA-N 1 0 238.335 0.313 10 0 BCAERO C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCOC[C@@H]1C ZINC000221579784 592434091 /nfs/dbraw/zinc/43/40/91/592434091.db2.gz HPFISEVDZZOEGK-GUBZILKMSA-N 1 0 212.293 0.232 10 0 BCAERO CC(C)C[C@H](O)CNC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000300214570 592504226 /nfs/dbraw/zinc/50/42/26/592504226.db2.gz ZQXGKVLOKACCHP-VWYCJHECSA-N 1 0 228.336 0.637 10 0 BCAERO CC(=O)[C@H]1CCC[N@@H+](CC(=O)N(C)C2CC2)C1 ZINC000104425951 592612122 /nfs/dbraw/zinc/61/21/22/592612122.db2.gz IWSWQUBSLODDES-NSHDSACASA-N 1 0 238.331 0.908 10 0 BCAERO [NH3+]Cc1cn(CC(=O)OCc2ccccc2)nn1 ZINC000122955443 592713562 /nfs/dbraw/zinc/71/35/62/592713562.db2.gz CUIQKMIHTASAKF-UHFFFAOYSA-N 1 0 246.270 0.480 10 0 BCAERO CN(C[C@@H]1CC[N@H+](C)C1)c1ncc(C=O)cn1 ZINC000126325303 592723898 /nfs/dbraw/zinc/72/38/98/592723898.db2.gz QUNDKKWKXXVHMA-SNVBAGLBSA-N 1 0 234.303 0.677 10 0 BCAERO CCN1CCO[C@@H](C[NH2+][C@@H]2COCC2(C)C)C1 ZINC000313091633 634448768 /nfs/dbraw/zinc/44/87/68/634448768.db2.gz TYHDKZWMEBDOET-NWDGAFQWSA-N 1 0 242.363 0.722 10 0 BCAERO [NH3+]CCOCC(=O)N[C@H]1COc2ccccc21 ZINC000093232279 634476495 /nfs/dbraw/zinc/47/64/95/634476495.db2.gz ZRFVQESHJAVQOC-JTQLQIEISA-N 1 0 236.271 0.212 10 0 BCAERO CCc1cc(C(=O)N2CCC[C@@H]2C[NH3+])no1 ZINC000257711890 634477916 /nfs/dbraw/zinc/47/79/16/634477916.db2.gz QZNCQPIKGVCPCC-MRVPVSSYSA-N 1 0 223.276 0.800 10 0 BCAERO Cc1nnc2c(N3CC[C@@H](CC[NH3+])C3)nccn12 ZINC000125464757 634507788 /nfs/dbraw/zinc/50/77/88/634507788.db2.gz QXMRBDUSWZSTAK-SNVBAGLBSA-N 1 0 246.318 0.608 10 0 BCAERO Cn1ncc2c1ncnc2N1CC[C@H](CC[NH3+])C1 ZINC000125500485 634520758 /nfs/dbraw/zinc/52/07/58/634520758.db2.gz XKVHBCYUIFJWMP-VIFPVBQESA-N 1 0 246.318 0.538 10 0 BCAERO CN(C)c1nccc(N2CC[C@H](CC[NH3+])C2)n1 ZINC000125505867 634524304 /nfs/dbraw/zinc/52/43/04/634524304.db2.gz VWEQUVKSZVSYII-JTQLQIEISA-N 1 0 235.335 0.718 10 0 BCAERO C[NH2+]CCCNc1cc(N(C)C)ncn1 ZINC000258672150 635184667 /nfs/dbraw/zinc/18/46/67/635184667.db2.gz OPCUQBGHPRRIDW-UHFFFAOYSA-N 1 0 209.297 0.564 10 0 BCAERO CN(C)c1cc(N(C)CC(C)(C)[NH3+])ncn1 ZINC000258830389 635211193 /nfs/dbraw/zinc/21/11/93/635211193.db2.gz WTTFBJZSUYLUIW-UHFFFAOYSA-N 1 0 223.324 0.716 10 0 BCAERO CC(C)OC(=O)CNC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000236762730 634585143 /nfs/dbraw/zinc/58/51/43/634585143.db2.gz KGEHVEJKONLBJF-IUCAKERBSA-N 1 0 228.292 0.182 10 0 BCAERO CC(C)OC(=O)CNC(=O)[C@]1(C)CCCC[NH2+]1 ZINC000236762948 634585363 /nfs/dbraw/zinc/58/53/63/634585363.db2.gz OXMQDKWDOQUXJY-LBPRGKRZSA-N 1 0 242.319 0.586 10 0 BCAERO C[C@H](C[C@@H]1CCC(=O)N1)[NH2+][C@@H]1CCCC[C@@H]1O ZINC000310116461 634591570 /nfs/dbraw/zinc/59/15/70/634591570.db2.gz UAQAVSNBRJRBJF-KXNHARMFSA-N 1 0 240.347 0.937 10 0 BCAERO CC(C)C[C@H](O)CNC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000226368491 635429023 /nfs/dbraw/zinc/42/90/23/635429023.db2.gz ZQXGKVLOKACCHP-MXWKQRLJSA-N 1 0 228.336 0.637 10 0 BCAERO C[C@@H]1C[C@H](C)C[N@@H+](CC[C@H](N)C(N)=O)C1 ZINC000062439382 635463879 /nfs/dbraw/zinc/46/38/79/635463879.db2.gz NBPFSJLQCZKQHD-AEJSXWLSSA-N 1 0 213.325 0.167 10 0 BCAERO CCC[C@H]([NH3+])C(=O)NCCCN1CCCC1=O ZINC000236851867 635494944 /nfs/dbraw/zinc/49/49/44/635494944.db2.gz FWGCPJYCKAYCLI-JTQLQIEISA-N 1 0 241.335 0.243 10 0 BCAERO COC1CC([NH2+]Cc2cnc(N(C)C)n2C)C1 ZINC000234705933 635558623 /nfs/dbraw/zinc/55/86/23/635558623.db2.gz RNQZVHKJVPBHNQ-UHFFFAOYSA-N 1 0 238.335 0.753 10 0 BCAERO C[C@H]1C[C@H]1NC(=S)NCC[NH+](C)C ZINC000308257986 631227340 /nfs/dbraw/zinc/22/73/40/631227340.db2.gz LYPPOHQFRVMDFJ-JGVFFNPUSA-N 1 0 201.339 0.421 10 0 BCAERO COC(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000257781442 631227940 /nfs/dbraw/zinc/22/79/40/631227940.db2.gz PXJPGCGMGZHKOS-NXEZZACHSA-N 1 0 228.292 0.284 10 0 BCAERO COC[C@@H](C)[NH2+]C/C=C(\C)C(=O)OC ZINC000308434569 631330670 /nfs/dbraw/zinc/33/06/70/631330670.db2.gz KJUDUVBBPGBWEG-WHXYTISESA-N 1 0 201.266 0.730 10 0 BCAERO C[C@H](CCO)[NH2+][C@H]1CCC(=O)N[C@@H]1C ZINC000308654430 631349587 /nfs/dbraw/zinc/34/95/87/631349587.db2.gz NDIGGUYXKHTHBE-HLTSFMKQSA-N 1 0 200.282 0.014 10 0 BCAERO Cc1nnc([C@H]([NH3+])Cc2c[nH]cn2)n1C ZINC000042013784 631353872 /nfs/dbraw/zinc/35/38/72/631353872.db2.gz KQPGWJWPDCBFAN-MRVPVSSYSA-N 1 0 206.253 0.089 10 0 BCAERO CC[S@](=O)CC[NH2+]C[C@H](O)C(C)(C)C ZINC000308513654 631409659 /nfs/dbraw/zinc/40/96/59/631409659.db2.gz DFNCXOOKLJMXKI-XPTSAGLGSA-N 1 0 221.366 0.752 10 0 BCAERO NC(=O)[C@H]([NH3+])Cc1ccc(Br)cc1 ZINC000083144432 631419392 /nfs/dbraw/zinc/41/93/92/631419392.db2.gz IMIDKBDZFMKIDQ-MRVPVSSYSA-N 1 0 243.104 0.804 10 0 BCAERO CC[C@H](CO)[NH2+]C[C@@H]1CCC[C@@H](O)C1 ZINC000308569111 631429732 /nfs/dbraw/zinc/42/97/32/631429732.db2.gz JGKQGYAXNIZZTH-GMTAPVOTSA-N 1 0 201.310 0.898 10 0 BCAERO Cc1ccc(NC(=O)[C@@H]([NH3+])CO)cc1C ZINC000220317273 631433063 /nfs/dbraw/zinc/43/30/63/631433063.db2.gz FZJRKCDUFSKCDY-JTQLQIEISA-N 1 0 208.261 0.562 10 0 BCAERO COC[C@H](C)[NH2+]CC[C@@H]1CCOC1=O ZINC000308618910 631447332 /nfs/dbraw/zinc/44/73/32/631447332.db2.gz SLNDRNWWHZLMDP-DTWKUNHWSA-N 1 0 201.266 0.564 10 0 BCAERO CCOc1cc(N(C)C[C@@H](C)[NH3+])nc(C)n1 ZINC000085484284 631460313 /nfs/dbraw/zinc/46/03/13/631460313.db2.gz LZUNSCFUQCLUAQ-MRVPVSSYSA-N 1 0 224.308 0.967 10 0 BCAERO COC(=O)c1occc1C[NH2+]CC1CC(O)C1 ZINC000091538130 631541377 /nfs/dbraw/zinc/54/13/77/631541377.db2.gz GDKJECCTZYQKMW-UHFFFAOYSA-N 1 0 239.271 0.927 10 0 BCAERO CN(C)c1cc(N(C)[C@@H]2CC[NH2+]C2)ncn1 ZINC000258615887 631553815 /nfs/dbraw/zinc/55/38/15/631553815.db2.gz COIICKQEQQMYDY-SECBINFHSA-N 1 0 221.308 0.341 10 0 BCAERO COC(=O)/C(C)=C/CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000093938949 631573241 /nfs/dbraw/zinc/57/32/41/631573241.db2.gz CKLOIEYRMLHSBN-JXDHDYMSSA-N 1 0 238.331 0.886 10 0 BCAERO Cn1ncc(C[NH2+]CC[C@@H]2CCCO2)n1 ZINC000308808565 631664114 /nfs/dbraw/zinc/66/41/14/631664114.db2.gz ATFZCTLVXNJRIX-JTQLQIEISA-N 1 0 210.281 0.474 10 0 BCAERO C[C@H](CCO)[NH2+][C@@H]1CCCn2ncnc21 ZINC000309010014 631797456 /nfs/dbraw/zinc/79/74/56/631797456.db2.gz RMAVARFXQWOBIC-RKDXNWHRSA-N 1 0 210.281 0.474 10 0 BCAERO C[C@@H]1[C@H]([NH3+])CCN1c1ncnc2c1CCC2 ZINC000309209412 631970080 /nfs/dbraw/zinc/97/00/80/631970080.db2.gz NIZZJEPFFXLOBD-PSASIEDQSA-N 1 0 218.304 0.891 10 0 BCAERO [NH3+][C@@H]1CCCC[C@@H]1C(=O)N[C@H]1CCC[C@H](O)C1 ZINC000251209585 635703359 /nfs/dbraw/zinc/70/33/59/635703359.db2.gz LDVQPGSNXUGRJA-FIQHERPVSA-N 1 0 240.347 0.924 10 0 BCAERO COC(=O)[C@@H]1C[N@@H+]([C@H](C)C(=O)N(C)C)C[C@@H]1C ZINC000251942820 635705972 /nfs/dbraw/zinc/70/59/72/635705972.db2.gz ZSFSZOAUPQIGMZ-IVZWLZJFSA-N 1 0 242.319 0.204 10 0 BCAERO [NH3+]CC[C@@H]1CCN(c2nccn3cnnc23)C1 ZINC000125506579 632107383 /nfs/dbraw/zinc/10/73/83/632107383.db2.gz KQDOXNPLGMYRJR-SECBINFHSA-N 1 0 232.291 0.299 10 0 BCAERO C[NH2+]C[C@@H]1CCCN1C[C@H](O)COC(C)C ZINC000252681701 635711769 /nfs/dbraw/zinc/71/17/69/635711769.db2.gz ARWUDXXHZAFQNH-RYUDHWBXSA-N 1 0 230.352 0.456 10 0 BCAERO COC[C@H](C)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000237232640 635787832 /nfs/dbraw/zinc/78/78/32/635787832.db2.gz FVANTKLYBCOEFC-CBAPKCEASA-N 1 0 200.282 0.122 10 0 BCAERO CCC[NH2+]CC(=O)N[C@H](C)C(=O)NC(C)C ZINC000161879255 632440602 /nfs/dbraw/zinc/44/06/02/632440602.db2.gz FXNVWAQPJREWNQ-SECBINFHSA-N 1 0 229.324 0.015 10 0 BCAERO COc1c(CN2CC[C@H](C[NH3+])C2)c(C)nn1C ZINC000158493095 632474796 /nfs/dbraw/zinc/47/47/96/632474796.db2.gz PZFOXZZGBPBFLQ-SNVBAGLBSA-N 1 0 238.335 0.518 10 0 BCAERO C/C=C(/C)C(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000309538576 632477305 /nfs/dbraw/zinc/47/73/05/632477305.db2.gz XRIFKGLTYDGPCT-NRCMDQDQSA-N 1 0 210.277 0.152 10 0 BCAERO COC(=O)[C@H]1C[NH2+]C[C@]12CCCOCC2 ZINC000229202767 632527174 /nfs/dbraw/zinc/52/71/74/632527174.db2.gz RTEVQKMBRRQCPR-MWLCHTKSSA-N 1 0 213.277 0.566 10 0 BCAERO CO[C@H](C)C(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000252714429 632562508 /nfs/dbraw/zinc/56/25/08/632562508.db2.gz RXUFVWDXDVSCTF-HRDYMLBCSA-N 1 0 200.282 0.265 10 0 BCAERO CC[N@H+]1C[C@H](NCc2cnn(C)n2)[C@@H](C)C1 ZINC000309655776 632621069 /nfs/dbraw/zinc/62/10/69/632621069.db2.gz PSBXZIYBMQEGAE-ONGXEEELSA-N 1 0 223.324 0.245 10 0 BCAERO COC(=O)c1occc1C[NH2+][C@H](C)[C@H](C)O ZINC000309665345 632636016 /nfs/dbraw/zinc/63/60/16/632636016.db2.gz SZSFKGWRULFWNN-SFYZADRCSA-N 1 0 227.260 0.925 10 0 BCAERO C[C@@H]1CC[C@@H]1[NH2+]C1CCN(CCO)CC1 ZINC000309115503 632641456 /nfs/dbraw/zinc/64/14/56/632641456.db2.gz LJBIXSHJDYDDQH-PWSUYJOCSA-N 1 0 212.337 0.831 10 0 BCAERO C[C@H]1CC[C@@H]1[NH2+]C1CCN(CCO)CC1 ZINC000309115502 632642293 /nfs/dbraw/zinc/64/22/93/632642293.db2.gz LJBIXSHJDYDDQH-JQWIXIFHSA-N 1 0 212.337 0.831 10 0 BCAERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)Nc1cnn(C)c1 ZINC000087123064 632650064 /nfs/dbraw/zinc/65/00/64/632650064.db2.gz RCMATSKWNWMGHE-WCBMZHEXSA-N 1 0 222.292 0.747 10 0 BCAERO O=C([C@H]1C[C@@H](O)C[NH2+]1)N1CCC2(CCCC2)C1 ZINC000310261231 632711612 /nfs/dbraw/zinc/71/16/12/632711612.db2.gz LAGXQUUADHURDD-GHMZBOCLSA-N 1 0 238.331 0.502 10 0 BCAERO C[C@H](O)C1CC[NH+](Cc2cnc(N)cn2)CC1 ZINC000235553272 632781601 /nfs/dbraw/zinc/78/16/01/632781601.db2.gz WLKKAFMBMBWPAA-VIFPVBQESA-N 1 0 236.319 0.652 10 0 BCAERO COC(=O)c1ccc(N(C)C[C@@H](C)[NH3+])nn1 ZINC000309222621 632824482 /nfs/dbraw/zinc/82/44/82/632824482.db2.gz YWSTZPXETNGRPY-SSDOTTSWSA-N 1 0 224.264 0.047 10 0 BCAERO COCC[C@H]([NH3+])C(=O)N[C@H](C)C1CC1 ZINC000052791454 632895887 /nfs/dbraw/zinc/89/58/87/632895887.db2.gz XNDYCTVSQCAJSP-APPZFPTMSA-N 1 0 200.282 0.265 10 0 BCAERO CC[C@@H](C[NH3+])c1nc(N2CCOCC2)no1 ZINC000162217388 633023019 /nfs/dbraw/zinc/02/30/19/633023019.db2.gz CZIXVGRLWIXTKF-QMMMGPOBSA-N 1 0 226.280 0.359 10 0 BCAERO O=S1(=O)CCCCN1[C@H]1CCC[NH2+]C1 ZINC000162530789 633030745 /nfs/dbraw/zinc/03/07/45/633030745.db2.gz VTKYPBBSJMYKEP-VIFPVBQESA-N 1 0 218.322 0.164 10 0 BCAERO CC(C)C[NH+]1CCN([C@@H]2CC[C@H]2O)CC1 ZINC000704061124 633046633 /nfs/dbraw/zinc/04/66/33/633046633.db2.gz SEUYCRASACSKSF-VXGBXAGGSA-N 1 0 212.337 0.783 10 0 BCAERO C(c1noc(C[C@H]2COCC[NH2+]2)n1)C1CCC1 ZINC000306111254 635957644 /nfs/dbraw/zinc/95/76/44/635957644.db2.gz WNTFMIKQEBRQCJ-JTQLQIEISA-N 1 0 237.303 0.943 10 0 BCAERO C[C@@H]1[C@H](N(C)C)CC[N@@H+]1CC(C)(C)O ZINC000307329512 635986070 /nfs/dbraw/zinc/98/60/70/635986070.db2.gz LWIFTMNJGVYEKB-NXEZZACHSA-N 1 0 200.326 0.782 10 0 BCAERO C[C@H]1[C@H](N(C)C)CC[N@@H+]1CC(C)(C)O ZINC000307329514 635986196 /nfs/dbraw/zinc/98/61/96/635986196.db2.gz LWIFTMNJGVYEKB-VHSXEESVSA-N 1 0 200.326 0.782 10 0 BCAERO CC(C)OC[C@@H](O)CN(C)[C@@H](C[NH3+])C1CC1 ZINC000126766483 636025972 /nfs/dbraw/zinc/02/59/72/636025972.db2.gz DJCHWINMGNDUGA-RYUDHWBXSA-N 1 0 230.352 0.441 10 0 BCAERO C[C@H]1[C@H](N(C)C)CC[N@@H+]1[C@@H]1CCC[C@H]1O ZINC000328386170 633759936 /nfs/dbraw/zinc/75/99/36/633759936.db2.gz MGBJCEOGKDYFSX-IRCOFANPSA-N 1 0 212.337 0.924 10 0 BCAERO COC[C@H](C[N@@H+]1CC[C@@H](CCO)C1)OC ZINC000659952092 633927790 /nfs/dbraw/zinc/92/77/90/633927790.db2.gz GYYODJTWZXJAFT-QWRGUYRKSA-N 1 0 217.309 0.352 10 0 BCAERO CC[C@H](O)C[NH2+][C@H]1CCN(C(C)=O)C[C@H]1C ZINC000309722655 633997646 /nfs/dbraw/zinc/99/76/46/633997646.db2.gz WPDIOUIHXBFZMD-USWWRNFRSA-N 1 0 228.336 0.604 10 0 BCAERO CC(C)OC(=O)CNC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000312276895 634011300 /nfs/dbraw/zinc/01/13/00/634011300.db2.gz QBULNNJRLLLUAR-ZJUUUORDSA-N 1 0 242.319 0.429 10 0 BCAERO CN(C)S(=O)(=O)C[C@@H]([NH3+])C(C)(C)C ZINC000075417444 634311184 /nfs/dbraw/zinc/31/11/84/634311184.db2.gz ZHCDMCKMVNXRSA-SSDOTTSWSA-N 1 0 208.327 0.251 10 0 BCAERO Cc1nc(N2C[C@H](C)[C@H]([NH+](C)C)C2)cc(=O)[nH]1 ZINC000162890512 635155074 /nfs/dbraw/zinc/15/50/74/635155074.db2.gz LBWHACUAAUVBSB-WCBMZHEXSA-N 1 0 236.319 0.877 10 0 BCAERO CN(C)c1cc(N2CC[C@H]([NH3+])C2)ncn1 ZINC000258880223 635216930 /nfs/dbraw/zinc/21/69/30/635216930.db2.gz DTCFHCCFPGOSRZ-QMMMGPOBSA-N 1 0 207.281 0.080 10 0 BCAERO COc1ccc(NC(=O)[C@@H]([NH3+])CO)cc1F ZINC000259006794 635234458 /nfs/dbraw/zinc/23/44/58/635234458.db2.gz RLACBGBPTHDLLX-QMMMGPOBSA-N 1 0 228.223 0.092 10 0 BCAERO CC[C@@H](CO)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000259147781 635244227 /nfs/dbraw/zinc/24/42/27/635244227.db2.gz JCONOUVBKDXZGO-QWRGUYRKSA-N 1 0 226.320 0.312 10 0 BCAERO C1C[NH2+][C@@H](c2nc([C@@H]3CN4CCN3CC4)no2)C1 ZINC000094506032 635362205 /nfs/dbraw/zinc/36/22/05/635362205.db2.gz AJTXXRWVQZGBJU-ZJUUUORDSA-N 1 0 249.318 0.166 10 0 BCAERO CC(C)C[C@@H](O)CNC(=O)C[C@@H]([NH3+])C(C)C ZINC000225812206 635416863 /nfs/dbraw/zinc/41/68/63/635416863.db2.gz BAMFRRSYKJUOGL-GHMZBOCLSA-N 1 0 230.352 0.883 10 0 BCAERO C[C@@H]1COC[C@@H](C)N1C(=O)CC(C)(C)[NH3+] ZINC000178597823 635561838 /nfs/dbraw/zinc/56/18/38/635561838.db2.gz NRRDJJQXGUZSHE-RKDXNWHRSA-N 1 0 214.309 0.750 10 0 BCAERO CO[C@@H](C)CC(=O)N1CCC[C@H]1C[NH3+] ZINC000160390291 636337820 /nfs/dbraw/zinc/33/78/20/636337820.db2.gz NALQPTAMQABAQI-IUCAKERBSA-N 1 0 200.282 0.361 10 0 BCAERO CC(C)(O)C[N@@H+]1CCC[C@H](CCO)C1 ZINC000051896882 636667933 /nfs/dbraw/zinc/66/79/33/636667933.db2.gz DELXSNORQPPAEW-SNVBAGLBSA-N 1 0 201.310 0.852 10 0 BCAERO CC(C)(CO)[NH2+]CC(=O)Nc1ccccc1 ZINC000035102009 636742177 /nfs/dbraw/zinc/74/21/77/636742177.db2.gz DGRPWZPKBYGQOQ-UHFFFAOYSA-N 1 0 222.288 0.986 10 0 BCAERO CCn1ncnc1[C@H](C)N1CC[NH2+]CC1 ZINC000054498742 636743119 /nfs/dbraw/zinc/74/31/19/636743119.db2.gz NDEQIHJDDSBCMF-VIFPVBQESA-N 1 0 209.297 0.264 10 0 BCAERO OC[C@H]1C[C@H](O)C[N@@H+]1CCc1cccs1 ZINC000179180545 636753596 /nfs/dbraw/zinc/75/35/96/636753596.db2.gz NERQDQPZXWEBAG-ZJUUUORDSA-N 1 0 227.329 0.718 10 0 BCAERO C[S@](=O)CC[NH2+][C@@H]1CCCC[C@H]1O ZINC000226237266 636806845 /nfs/dbraw/zinc/80/68/45/636806845.db2.gz ZFGYMFZPVUNIIW-KKFJDGPESA-N 1 0 205.323 0.258 10 0 BCAERO C[C@H]([NH3+])C(=O)NC[C@H]1CCCC[C@H]1O ZINC000082994846 636871180 /nfs/dbraw/zinc/87/11/80/636871180.db2.gz HLHKAFOGVGNKDS-DJLDLDEBSA-N 1 0 200.282 0.001 10 0 BCAERO O=C(NC[C@@H]1CCCC[C@@H]1O)C1CC[NH2+]CC1 ZINC000085985846 636883470 /nfs/dbraw/zinc/88/34/70/636883470.db2.gz UHPOWRXQUZVACO-RYUDHWBXSA-N 1 0 240.347 0.653 10 0 BCAERO C[C@@H]([NH3+])CS(=O)(=O)N1CCCCCC1 ZINC000041234332 636980764 /nfs/dbraw/zinc/98/07/64/636980764.db2.gz UWYIVIFQTXLFAN-SECBINFHSA-N 1 0 220.338 0.539 10 0 BCAERO CC[C@@H](C(=O)N[C@H]1CCC(=O)N[C@@H]1C)[NH+](C)C ZINC000908004809 638545976 /nfs/dbraw/zinc/54/59/76/638545976.db2.gz UZMOQAYUHKFEKK-UTLUCORTSA-N 1 0 241.335 0.110 10 0 BCAERO CSCC[C@@H]([NH3+])C(=O)N[C@@H](C)[C@H]1CCCO1 ZINC000163584200 639213882 /nfs/dbraw/zinc/21/38/82/639213882.db2.gz SNCFIPINCWVTDM-IVZWLZJFSA-N 1 0 246.376 0.751 10 0 BCAERO Cc1cc(C[NH2+]C[C@H]2CC(=O)N(C)C2)no1 ZINC000722753582 711470101 /nfs/dbraw/zinc/47/01/01/711470101.db2.gz LEYOBGOLEUJTCF-SECBINFHSA-N 1 0 223.276 0.551 10 0 BCAERO CCc1nc([C@H](C)N2CC[NH2+]CC2)n(C)n1 ZINC000054696815 640305339 /nfs/dbraw/zinc/30/53/39/640305339.db2.gz WWAFARFTADDBHO-VIFPVBQESA-N 1 0 223.324 0.344 10 0 BCAERO Cn1nc(C2CCCC2)nc1[C@H]([NH3+])CCO ZINC000054699172 640320965 /nfs/dbraw/zinc/32/09/65/640320965.db2.gz DLCBKYDOQKQKMX-SECBINFHSA-N 1 0 224.308 0.855 10 0 BCAERO C[C@@H](O)[C@@H]([NH3+])c1nc(C2CCCC2)nn1C ZINC000054699200 640322071 /nfs/dbraw/zinc/32/20/71/640322071.db2.gz AJTJWWWDOKXNCL-VXNVDRBHSA-N 1 0 224.308 0.853 10 0 BCAERO CCN(c1nc(C)cc(OC)n1)[C@@H]1CC[NH2+]C1 ZINC000164177646 640455312 /nfs/dbraw/zinc/45/53/12/640455312.db2.gz GUNKUAJDWPGLIL-SNVBAGLBSA-N 1 0 236.319 0.982 10 0 BCAERO C[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[NH+]2CCC1CC2 ZINC000222592855 640493904 /nfs/dbraw/zinc/49/39/04/640493904.db2.gz MHAIIPHWOYUWOD-DVVUODLYSA-N 1 0 208.305 0.853 10 0 BCAERO Cc1nccn1C[C@@](C)([NH2+]C(C)C)C(N)=O ZINC000045433026 640556296 /nfs/dbraw/zinc/55/62/96/640556296.db2.gz FORDLHTVCRNNAQ-LLVKDONJSA-N 1 0 224.308 0.434 10 0 BCAERO Cc1cc(C)n(C[C@H]([NH2+]C2CC2)C(N)=O)n1 ZINC000045433232 640556743 /nfs/dbraw/zinc/55/67/43/640556743.db2.gz WTRPWSDEYUIEMN-JTQLQIEISA-N 1 0 222.292 0.106 10 0 BCAERO Cc1cc(C)n(C[C@@H]([NH2+]C(C)C)C(N)=O)n1 ZINC000045433614 640557431 /nfs/dbraw/zinc/55/74/31/640557431.db2.gz LGZLZUNQMDQUQT-SNVBAGLBSA-N 1 0 224.308 0.352 10 0 BCAERO CNc1cc(N2CC[N@@H+]3CCC[C@@H]3C2)ncn1 ZINC000156986149 640558588 /nfs/dbraw/zinc/55/85/88/640558588.db2.gz LQKHUNWGAGPZOE-SNVBAGLBSA-N 1 0 233.319 0.803 10 0 BCAERO C[NH2+][C@](C)(Cn1nc(C)c(C)c1C)C(N)=O ZINC000045438094 640558809 /nfs/dbraw/zinc/55/88/09/640558809.db2.gz UPRXXCVCBVLIQC-LLVKDONJSA-N 1 0 224.308 0.272 10 0 BCAERO CCOC(=O)[C@](C)([NH3+])CCn1cc(C)cn1 ZINC000045436449 640560386 /nfs/dbraw/zinc/56/03/86/640560386.db2.gz DFMRGQKSBQYZGC-LLVKDONJSA-N 1 0 225.292 0.862 10 0 BCAERO CCc1c(C)nn(C[C@@H]([NH2+]C)C(N)=O)c1C ZINC000045459063 640563065 /nfs/dbraw/zinc/56/30/65/640563065.db2.gz NFBFWMURAMNTEV-SNVBAGLBSA-N 1 0 224.308 0.136 10 0 BCAERO CCc1nccn1CC[C@@](C)([NH3+])C(=O)OC ZINC000045460663 640567302 /nfs/dbraw/zinc/56/73/02/640567302.db2.gz ZFHNBFFURFXUTJ-LLVKDONJSA-N 1 0 225.292 0.726 10 0 BCAERO Cn1cnc(-c2nc(C3CC[NH2+]CC3)no2)c1 ZINC000225419116 640692547 /nfs/dbraw/zinc/69/25/47/640692547.db2.gz DIDZCVYNQNHVLL-UHFFFAOYSA-N 1 0 233.275 0.937 10 0 BCAERO Cc1nc([C@H](C)N2CC[NH2+]CC2)n(C)n1 ZINC000054499125 640706599 /nfs/dbraw/zinc/70/65/99/640706599.db2.gz IYKLMEZUEXIWEU-QMMMGPOBSA-N 1 0 209.297 0.090 10 0 BCAERO CCc1nc(C[C@@H]2CCC[NH2+]C2)n(C)n1 ZINC000054696833 640709520 /nfs/dbraw/zinc/70/95/20/640709520.db2.gz LZSOLWNZQGUMAD-VIFPVBQESA-N 1 0 208.309 0.920 10 0 BCAERO CC[C@H](O)CCNC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000226331897 640747480 /nfs/dbraw/zinc/74/74/80/640747480.db2.gz VDQNXDXOKHBLAU-AEJSXWLSSA-N 1 0 214.309 0.391 10 0 BCAERO CC(C)([NH3+])CCC(=O)NC[C@H](O)C(F)(F)F ZINC000226320825 640748052 /nfs/dbraw/zinc/74/80/52/640748052.db2.gz WCEQIXLRZUYAEF-LURJTMIESA-N 1 0 242.241 0.543 10 0 BCAERO CC(C)[C@@H](NC(=O)CCCCCC[NH3+])C(N)=O ZINC000226337062 640749960 /nfs/dbraw/zinc/74/99/60/640749960.db2.gz HSSGEIGSGLFXFO-LLVKDONJSA-N 1 0 243.351 0.522 10 0 BCAERO CC(C)C[C@@H](O)CNC(=O)[C@H]1CC[NH2+]C1 ZINC000226368968 640754475 /nfs/dbraw/zinc/75/44/75/640754475.db2.gz OLPUUOKIDZCJFZ-VHSXEESVSA-N 1 0 214.309 0.119 10 0 BCAERO C[C@H]1COCCN1C(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000226739806 640791080 /nfs/dbraw/zinc/79/10/80/640791080.db2.gz UXHDIIDQEOEYMT-HBNTYKKESA-N 1 0 226.320 0.751 10 0 BCAERO C[C@@H](NC(=O)[C@@]1(C)CCC[NH2+]1)[C@@H]1CCCO1 ZINC000227078593 640813487 /nfs/dbraw/zinc/81/34/87/640813487.db2.gz UXFUBGLVCSIOTJ-JFGNBEQYSA-N 1 0 226.320 0.812 10 0 BCAERO CC(C)C[C@H](O)CNC(=O)[C@@]1(C)CCC[NH2+]1 ZINC000227430176 640834384 /nfs/dbraw/zinc/83/43/84/640834384.db2.gz XPZKSZNFJNKEKL-CMPLNLGQSA-N 1 0 228.336 0.652 10 0 BCAERO Cn1ncc2c1ncnc2NC[C@@H]1CC[C@H]([NH3+])C1 ZINC000227642026 640843276 /nfs/dbraw/zinc/84/32/76/640843276.db2.gz BRVYVYRRQVYKQX-BDAKNGLRSA-N 1 0 246.318 0.903 10 0 BCAERO CCCCOC[C@H](O)C[NH2+]C(C)(C)CO ZINC000227888809 640852220 /nfs/dbraw/zinc/85/22/20/640852220.db2.gz BNDDTCOWCXVJDK-SNVBAGLBSA-N 1 0 219.325 0.525 10 0 BCAERO CCCCOC[C@@H](O)CN1CCC([NH2+]C)CC1 ZINC000227882993 640852661 /nfs/dbraw/zinc/85/26/61/640852661.db2.gz ZVLQVEUDNRENCW-ZDUSSCGKSA-N 1 0 244.379 0.848 10 0 BCAERO CCCCOC[C@H](O)COC1C[NH2+]C1 ZINC000227902079 640852805 /nfs/dbraw/zinc/85/28/05/640852805.db2.gz HCPBLZRRSKFKHL-VIFPVBQESA-N 1 0 203.282 0.152 10 0 BCAERO COC(=O)[C@H]1C[N@H+](CCCO)C[C@@H]1C ZINC000087400413 640884577 /nfs/dbraw/zinc/88/45/77/640884577.db2.gz FEIFCWLALAHBEG-IUCAKERBSA-N 1 0 201.266 0.110 10 0 BCAERO COC[C@@H]([NH3+])C(=O)NCC(C)(C)SC ZINC000229109729 640925481 /nfs/dbraw/zinc/92/54/81/640925481.db2.gz BLPXEITZWAWZFB-SSDOTTSWSA-N 1 0 220.338 0.218 10 0 BCAERO CC[C@@](C)(O)C[NH+]1CC(O)(C(C)C)C1 ZINC000229423665 640953539 /nfs/dbraw/zinc/95/35/39/640953539.db2.gz SGYJQTYAIQECAR-SNVBAGLBSA-N 1 0 201.310 0.850 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)C1CCOCC1 ZINC000061883822 641003265 /nfs/dbraw/zinc/00/32/65/641003265.db2.gz SETQFIPAWQONDK-WDEREUQCSA-N 1 0 226.320 0.657 10 0 BCAERO CCN(CC)S(=O)(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000061883991 641003614 /nfs/dbraw/zinc/00/36/14/641003614.db2.gz ADNOGNWULRUIDK-VHSXEESVSA-N 1 0 249.380 0.290 10 0 BCAERO O=C(NC[C@@H]1CC[NH2+]C1)c1cnn2ccccc12 ZINC000230072899 641012961 /nfs/dbraw/zinc/01/29/61/641012961.db2.gz GACPXSZDRLIFIC-SNVBAGLBSA-N 1 0 244.298 0.674 10 0 BCAERO O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)[C@@H]1CC[NH2+]C1 ZINC000062113059 641021820 /nfs/dbraw/zinc/02/18/20/641021820.db2.gz WYTYRGVUTFOZTL-SSDOTTSWSA-N 1 0 246.270 0.404 10 0 BCAERO CC(C)[NH2+][C@@H](CCn1ccnc1)C(N)=O ZINC000062534976 641057717 /nfs/dbraw/zinc/05/77/17/641057717.db2.gz CNWKNSYPTFEOHU-VIFPVBQESA-N 1 0 210.281 0.125 10 0 BCAERO COC(=O)[C@H]([NH3+])CCn1nc(C)cc1C ZINC000062535354 641057952 /nfs/dbraw/zinc/05/79/52/641057952.db2.gz MUIBNJCPYIICCT-SECBINFHSA-N 1 0 211.265 0.390 10 0 BCAERO C[NH2+][C@H](CCn1ccnc1C(C)C)C(N)=O ZINC000062534498 641057979 /nfs/dbraw/zinc/05/79/79/641057979.db2.gz ZTAWLSXYQWMUOX-SECBINFHSA-N 1 0 224.308 0.470 10 0 BCAERO CCOC(=O)[C@@H]([NH3+])CCn1cc(Cl)cn1 ZINC000062536213 641060103 /nfs/dbraw/zinc/06/01/03/641060103.db2.gz ZCNOWUQPBCBTNX-QMMMGPOBSA-N 1 0 231.683 0.817 10 0 BCAERO NC(=O)[C@@H](CCn1cc(Cl)cn1)[NH2+]C1CC1 ZINC000062536155 641060184 /nfs/dbraw/zinc/06/01/84/641060184.db2.gz JTARTSULKOTYSO-SECBINFHSA-N 1 0 242.710 0.533 10 0 BCAERO CCCCCNC(=O)[C@H](C)OC1C[NH2+]C1 ZINC000062809786 641093579 /nfs/dbraw/zinc/09/35/79/641093579.db2.gz IJDFIFUZFISRHI-VIFPVBQESA-N 1 0 214.309 0.670 10 0 BCAERO COC1CC([NH2+]Cc2cn(C)nc2C)C1 ZINC000230690472 641086703 /nfs/dbraw/zinc/08/67/03/641086703.db2.gz OYOQYAHFUGUJLQ-UHFFFAOYSA-N 1 0 209.293 0.996 10 0 BCAERO CC(C)CCNC(=O)[C@@H](C)OC1C[NH2+]C1 ZINC000062809801 641093863 /nfs/dbraw/zinc/09/38/63/641093863.db2.gz SLPSHLJZDLRHTE-SECBINFHSA-N 1 0 214.309 0.526 10 0 BCAERO CC(C)CNC(=O)[C@@H](C)OC1C[NH2+]C1 ZINC000062809767 641093932 /nfs/dbraw/zinc/09/39/32/641093932.db2.gz XOPUVBAQRFQRPK-MRVPVSSYSA-N 1 0 200.282 0.136 10 0 BCAERO NC(=O)c1ccc(COC2C[NH2+]C2)cc1 ZINC000062809867 641095861 /nfs/dbraw/zinc/09/58/61/641095861.db2.gz HVCYAJGDLSAWGM-UHFFFAOYSA-N 1 0 206.245 0.274 10 0 BCAERO CC(C)(C)CC[NH2+][C@@H]1CS(=O)(=O)C[C@H]1O ZINC000130016635 641124235 /nfs/dbraw/zinc/12/42/35/641124235.db2.gz LZAMXTNZGHZMEQ-RKDXNWHRSA-N 1 0 235.349 0.170 10 0 BCAERO Nc1cnc(CN2CC[N@@H+]3CCCC[C@@H]3C2)cn1 ZINC000231301339 641160496 /nfs/dbraw/zinc/16/04/96/641160496.db2.gz MSHBLKBGMAZNLN-GFCCVEGCSA-N 1 0 247.346 0.729 10 0 BCAERO COC[C@@H]([NH3+])C(=O)NCCSC(F)(F)F ZINC000231944967 641220263 /nfs/dbraw/zinc/22/02/63/641220263.db2.gz PDJNLPGRXIGSNZ-RXMQYKEDSA-N 1 0 246.254 0.329 10 0 BCAERO COC[C@H]([NH3+])C(=O)NC[C@]1(C)CCCS1 ZINC000088005107 641222938 /nfs/dbraw/zinc/22/29/38/641222938.db2.gz DTIZVMIHEXKWNI-WPRPVWTQSA-N 1 0 232.349 0.362 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N1CCC[C@@H](C)C1 ZINC000088002192 641223303 /nfs/dbraw/zinc/22/33/03/641223303.db2.gz BEKSDEVAVBPAGA-RKDXNWHRSA-N 1 0 200.282 0.219 10 0 BCAERO CO[C@H](C[NH3+])CC(=O)N[C@@H](C)[C@@H]1CCCO1 ZINC000232112176 641247381 /nfs/dbraw/zinc/24/73/81/641247381.db2.gz UYDLFDDJQBGNAJ-GUBZILKMSA-N 1 0 230.308 0.034 10 0 BCAERO [NH3+]CCCCCC(=O)NC[C@@H](O)C(F)(F)F ZINC000232226944 641253567 /nfs/dbraw/zinc/25/35/67/641253567.db2.gz XVVAUXKMJHUGBE-SSDOTTSWSA-N 1 0 242.241 0.545 10 0 BCAERO [NH3+]C1(C(=O)NC[C@H]2CCCC[C@H]2O)CCC1 ZINC000088051344 641280410 /nfs/dbraw/zinc/28/04/10/641280410.db2.gz AUHOZSZCZBLHKJ-NXEZZACHSA-N 1 0 226.320 0.535 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)NCc1ccon1 ZINC000088053053 641283852 /nfs/dbraw/zinc/28/38/52/641283852.db2.gz PQXBEQDHDKUXBE-WPRPVWTQSA-N 1 0 223.276 0.666 10 0 BCAERO CC(C)(C)S(=O)(=O)CCOC1C[NH2+]C1 ZINC000232632433 641309398 /nfs/dbraw/zinc/30/93/98/641309398.db2.gz SDXHNNDOMGPFGA-UHFFFAOYSA-N 1 0 221.322 0.188 10 0 BCAERO C[C@@H]([NH2+][C@@H]1CS(=O)(=O)C[C@H]1O)C1CCCC1 ZINC000088163022 641319688 /nfs/dbraw/zinc/31/96/88/641319688.db2.gz PSGJUDLZZUVIHH-FBIMIBRVSA-N 1 0 247.360 0.313 10 0 BCAERO CC(C)OC(=O)CNC(=O)[C@@H]1CCC[NH2+][C@H]1C ZINC000312262774 641388477 /nfs/dbraw/zinc/38/84/77/641388477.db2.gz AGXFXMBTCCUVDN-VHSXEESVSA-N 1 0 242.319 0.442 10 0 BCAERO C[NH2+][C@H](C)CNC(=O)C1CC(F)(F)C1 ZINC000261529018 641427231 /nfs/dbraw/zinc/42/72/31/641427231.db2.gz ZYUPNHYLLFUXOU-ZCFIWIBFSA-N 1 0 206.236 0.756 10 0 BCAERO Cc1cc(N[C@H]2CCC[C@@H]2C[NH3+])n2ncnc2n1 ZINC000089092147 641427424 /nfs/dbraw/zinc/42/74/24/641427424.db2.gz KMHXWTYNGHWBKZ-ZJUUUORDSA-N 1 0 246.318 0.972 10 0 BCAERO CC(C)S(=O)(=O)CC[NH2+]CC(C)(C)O ZINC000232769788 641567516 /nfs/dbraw/zinc/56/75/16/641567516.db2.gz ALASRXXUMXMWNO-UHFFFAOYSA-N 1 0 223.338 0.170 10 0 BCAERO COC[C@H](C)C(=O)N[C@@H](C[NH3+])CC(C)C ZINC000155461652 641569812 /nfs/dbraw/zinc/56/98/12/641569812.db2.gz HDNWPJFPUCGONS-VHSXEESVSA-N 1 0 216.325 0.759 10 0 BCAERO CCOC(=O)[C@](C)([NH3+])CCCn1cncn1 ZINC000045435450 641613182 /nfs/dbraw/zinc/61/31/82/641613182.db2.gz PLISTSHEYZZVAX-SNVBAGLBSA-N 1 0 226.280 0.339 10 0 BCAERO CCCCOCC(=O)N1CCC[C@H]([NH3+])C1 ZINC000157953136 641623878 /nfs/dbraw/zinc/62/38/78/641623878.db2.gz NVEWCGLXLSGQBD-JTQLQIEISA-N 1 0 214.309 0.753 10 0 BCAERO CN(C)c1noc([C@H]2CCC[C@@H]2C[NH3+])n1 ZINC000158839917 641654627 /nfs/dbraw/zinc/65/46/27/641654627.db2.gz PURHPJNGZQPVGB-SFYZADRCSA-N 1 0 210.281 0.978 10 0 BCAERO Cc1nnc(N2CCCC[C@H]2C[NH3+])nc1C ZINC000158971848 641659541 /nfs/dbraw/zinc/65/95/41/641659541.db2.gz IERRUQLFNNMFFB-JTQLQIEISA-N 1 0 221.308 0.806 10 0 BCAERO Cc1nnc(NC[C@H]2CCC[NH2+]2)nc1C ZINC000158972993 641659728 /nfs/dbraw/zinc/65/97/28/641659728.db2.gz RXUDNOWKXUYSPT-SECBINFHSA-N 1 0 207.281 0.652 10 0 BCAERO Cc1nnc(N2CCC[C@@H]2C[NH3+])nc1C ZINC000158985271 641660268 /nfs/dbraw/zinc/66/02/68/641660268.db2.gz QDLJRJCXSIKZTJ-SECBINFHSA-N 1 0 207.281 0.416 10 0 BCAERO CC[N@@H+]1CCC[C@H](NC(=O)n2ccnc2)C1 ZINC000049223498 641711948 /nfs/dbraw/zinc/71/19/48/641711948.db2.gz DMKNGXGNHHEZTQ-JTQLQIEISA-N 1 0 222.292 0.925 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@H]1c1nc(-c2nc[nH]n2)no1 ZINC000089430737 641733659 /nfs/dbraw/zinc/73/36/59/641733659.db2.gz JQIIXJDFHYYOHD-NKWVEPMBSA-N 1 0 234.263 0.697 10 0 BCAERO [NH3+]C[C@H]1CCC[C@H]1c1nc(-c2nc[nH]n2)no1 ZINC000089430733 641734122 /nfs/dbraw/zinc/73/41/22/641734122.db2.gz JQIIXJDFHYYOHD-RNFRBKRXSA-N 1 0 234.263 0.697 10 0 BCAERO [NH3+]CCC(=O)NC[C@H](O)c1ccc(F)cc1 ZINC000153562868 641819423 /nfs/dbraw/zinc/81/94/23/641819423.db2.gz IPRDDMKRLIPVKL-JTQLQIEISA-N 1 0 226.251 0.324 10 0 BCAERO Cc1nsc(N2CC[C@@H]3C[NH2+]C[C@@H]32)n1 ZINC000213615886 641821937 /nfs/dbraw/zinc/82/19/37/641821937.db2.gz RYXGLNMYIIYKCP-SFYZADRCSA-N 1 0 210.306 0.645 10 0 BCAERO C[C@@H]1C/[N+](=C/c2ccc(F)cc2)NC1=O ZINC000078578128 641936920 /nfs/dbraw/zinc/93/69/20/641936920.db2.gz QCHGUPPHFZZRQL-BNUBCSQOSA-O 1 0 207.228 0.938 10 0 BCAERO CC1(C)C[C@H]1c1noc([C@H]2C[C@@H](O)C[NH2+]2)n1 ZINC000232866226 641998039 /nfs/dbraw/zinc/99/80/39/641998039.db2.gz JNMWIQCVVZEOBS-GJMOJQLCSA-N 1 0 223.276 0.978 10 0 BCAERO C[C@@H]([NH2+]C[C@H](O)CC(F)(F)F)[C@H](C)O ZINC000307935260 642350800 /nfs/dbraw/zinc/35/08/00/642350800.db2.gz DPDTVFIKEKPMPN-DSYKOEDSSA-N 1 0 215.215 0.659 10 0 BCAERO c1cnc(N2CCC[C@]23CC[NH2+]C3)nc1 ZINC000257706252 642509037 /nfs/dbraw/zinc/50/90/37/642509037.db2.gz MMTCRJDTOTWACW-LLVKDONJSA-N 1 0 204.277 0.809 10 0 BCAERO CCCOCC(=O)NCC1CC([NH3+])C1 ZINC000233224948 642653487 /nfs/dbraw/zinc/65/34/87/642653487.db2.gz UIIXBWFIBHFTGK-UHFFFAOYSA-N 1 0 200.282 0.267 10 0 BCAERO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1c1cnn(CC)c1 ZINC000233706558 642690039 /nfs/dbraw/zinc/69/00/39/642690039.db2.gz FFVKZERFZMXMFT-WDEREUQCSA-N 1 0 237.303 0.769 10 0 BCAERO C[NH+](C)[C@H]1CCN(CN2CCOC2=S)C1 ZINC000170842950 642693569 /nfs/dbraw/zinc/69/35/69/642693569.db2.gz VNTVCGRTAPOKOZ-VIFPVBQESA-N 1 0 229.349 0.197 10 0 BCAERO O=C(NC[C@@H]1CC[NH2+]C1)[C@@H]1CC1(Cl)Cl ZINC000306260545 642732696 /nfs/dbraw/zinc/73/26/96/642732696.db2.gz KHIWANLFMGMSCJ-RQJHMYQMSA-N 1 0 237.130 0.906 10 0 BCAERO CO[C@H](C)CC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170863877 642746237 /nfs/dbraw/zinc/74/62/37/642746237.db2.gz NZJPEOCBLHLPDH-NXEZZACHSA-N 1 0 214.309 0.574 10 0 BCAERO [NH3+]C[C@@H]1CCCN1C(=O)[C@H]1CSCCS1 ZINC000237958580 642768013 /nfs/dbraw/zinc/76/80/13/642768013.db2.gz UFIHIACZUXGSNG-DTWKUNHWSA-N 1 0 246.401 0.785 10 0 BCAERO CC(C)OC[C@H](O)CN1CCC[NH2+]CC1 ZINC000069641091 642889312 /nfs/dbraw/zinc/88/93/12/642889312.db2.gz XKAPJAYMVODEFT-LLVKDONJSA-N 1 0 216.325 0.068 10 0 BCAERO CC(C)OC[C@H](O)CN1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000070099167 642969557 /nfs/dbraw/zinc/96/95/57/642969557.db2.gz JMILMWISPAMRHD-JHJVBQTASA-N 1 0 244.379 0.974 10 0 BCAERO CCOc1cncc(N2CC[C@H](C[NH3+])C2)n1 ZINC000070580090 643045077 /nfs/dbraw/zinc/04/50/77/643045077.db2.gz QYLPZOUBBRDGJS-SECBINFHSA-N 1 0 222.292 0.660 10 0 BCAERO C[C@@H](NC(=O)[C@]1(C)CCC[NH2+]1)[C@@H]1CCCO1 ZINC000070618754 643048552 /nfs/dbraw/zinc/04/85/52/643048552.db2.gz UXFUBGLVCSIOTJ-SCVCMEIPSA-N 1 0 226.320 0.812 10 0 BCAERO C[NH2+][C@](C)(CCCn1nccc1C)C(N)=O ZINC000070686763 643058829 /nfs/dbraw/zinc/05/88/29/643058829.db2.gz KZUUYENWMMCTQL-LLVKDONJSA-N 1 0 224.308 0.435 10 0 BCAERO CCC[NH2+][C@](C)(Cn1ccc(C)n1)C(N)=O ZINC000070686303 643059773 /nfs/dbraw/zinc/05/97/73/643059773.db2.gz DCXQNAJDXADEGN-LLVKDONJSA-N 1 0 224.308 0.435 10 0 BCAERO CCOC(=O)[C@](C)([NH3+])CCn1nccc1C ZINC000070687081 643060723 /nfs/dbraw/zinc/06/07/23/643060723.db2.gz AWPBISOKGDFXSN-LLVKDONJSA-N 1 0 225.292 0.862 10 0 BCAERO CC[NH2+][C@H](CCn1cc(Cl)c(C)n1)C(N)=O ZINC000070704353 643062504 /nfs/dbraw/zinc/06/25/04/643062504.db2.gz XETRFBXHIDERDR-SECBINFHSA-N 1 0 244.726 0.698 10 0 BCAERO CCN(c1ncc(C)cn1)[C@H]1CC[NH2+]C1 ZINC000070901123 643080790 /nfs/dbraw/zinc/08/07/90/643080790.db2.gz SHOHZLQDXUKFNH-JTQLQIEISA-N 1 0 206.293 0.973 10 0 BCAERO CCN(c1cc(C)ncn1)[C@@H]1CC[NH2+]C1 ZINC000070901050 643081533 /nfs/dbraw/zinc/08/15/33/643081533.db2.gz NFXRMDWQOMRVNG-SNVBAGLBSA-N 1 0 206.293 0.973 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@@H]1NS(=O)(=O)C1CC1 ZINC000070907053 643081653 /nfs/dbraw/zinc/08/16/53/643081653.db2.gz FTMUCNRWCNSGPQ-CBAPKCEASA-N 1 0 218.322 0.196 10 0 BCAERO CCOc1cncc(N2CC[C@@H](C[NH2+]C)C2)n1 ZINC000071176223 643103767 /nfs/dbraw/zinc/10/37/67/643103767.db2.gz WSRSQSIMRMLLKU-JTQLQIEISA-N 1 0 236.319 0.921 10 0 BCAERO Cc1cc(NC(=O)C[NH2+]C(C)(C)CO)no1 ZINC000021265042 643120671 /nfs/dbraw/zinc/12/06/71/643120671.db2.gz RGKKLKXVXSQXSJ-UHFFFAOYSA-N 1 0 227.264 0.282 10 0 BCAERO CCN(c1ccnc(C(N)=O)c1)[C@@H]1CC[NH2+]C1 ZINC000071314300 643124970 /nfs/dbraw/zinc/12/49/70/643124970.db2.gz OFBICIAZRHVDSM-SNVBAGLBSA-N 1 0 234.303 0.369 10 0 BCAERO CC1(C)NC(=O)CC[C@H]1[NH2+]CC1OCCO1 ZINC000306854541 643265821 /nfs/dbraw/zinc/26/58/21/643265821.db2.gz ASNFCNPSOKGSGY-MRVPVSSYSA-N 1 0 228.292 0.006 10 0 BCAERO [NH3+]C[C@H]1CCN1c1cc(C(F)F)ncn1 ZINC000757143537 643308584 /nfs/dbraw/zinc/30/85/84/643308584.db2.gz HXORKQFLXKESFY-ZCFIWIBFSA-N 1 0 214.219 0.952 10 0 BCAERO [NH3+]C[C@@H]1CCN1c1cc(C(F)F)ncn1 ZINC000757143527 643309009 /nfs/dbraw/zinc/30/90/09/643309009.db2.gz HXORKQFLXKESFY-LURJTMIESA-N 1 0 214.219 0.952 10 0 BCAERO COC(C[NH2+][C@H](C)[C@H]1CCCO1)OC ZINC000082534434 643336253 /nfs/dbraw/zinc/33/62/53/643336253.db2.gz QMSUTAUMVCJIOO-RKDXNWHRSA-N 1 0 203.282 0.762 10 0 BCAERO CSc1cc(N2CC[C@H]2C[NH3+])ncn1 ZINC000757152277 643343486 /nfs/dbraw/zinc/34/34/86/643343486.db2.gz ZYSRDNFRAGRJEW-ZETCQYMHSA-N 1 0 210.306 0.736 10 0 BCAERO Cc1nccn1CCCN1CC[C@H]1C[NH3+] ZINC000757152251 643343618 /nfs/dbraw/zinc/34/36/18/643343618.db2.gz ZTMRBNAZEOGOEN-NSHDSACASA-N 1 0 208.309 0.615 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1CN1CCn2ccnc2C1 ZINC000082560890 643343819 /nfs/dbraw/zinc/34/38/19/643343819.db2.gz AVXGLQOOMHBISK-MNOVXSKESA-N 1 0 220.320 0.554 10 0 BCAERO Cc1cc(N(C)C[C@H](C)[NH3+])n2ncnc2n1 ZINC000082592685 643351125 /nfs/dbraw/zinc/35/11/25/643351125.db2.gz XLLOETJJHANMDN-ZETCQYMHSA-N 1 0 220.280 0.216 10 0 BCAERO COc1ccnc(NC[C@H]([NH3+])C2CC2)n1 ZINC000082593837 643351750 /nfs/dbraw/zinc/35/17/50/643351750.db2.gz SAHDPGVSFIWTSS-QMMMGPOBSA-N 1 0 208.265 0.634 10 0 BCAERO CCOC(=O)[C@@H]1C[NH2+]C[C@@H]1c1c[nH]cn1 ZINC000757190091 643361006 /nfs/dbraw/zinc/36/10/06/643361006.db2.gz PNIPYRKOYKEXHB-JGVFFNPUSA-N 1 0 209.249 0.276 10 0 BCAERO CC(C)([NH3+])C(=O)NC[C@@H]1CCCC[C@@H]1O ZINC000082995036 643397039 /nfs/dbraw/zinc/39/70/39/643397039.db2.gz PGJXIOAOWOXBIK-IUCAKERBSA-N 1 0 214.309 0.391 10 0 BCAERO C[C@@H](O)CCNC(=O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000082996175 643397499 /nfs/dbraw/zinc/39/74/99/643397499.db2.gz VBERBZHUYHMSCT-BBBLOLIVSA-N 1 0 214.309 0.391 10 0 BCAERO Cc1ccnc(N2C[C@@H](C)[NH2+]C[C@@H]2C)n1 ZINC000083119128 643417220 /nfs/dbraw/zinc/41/72/20/643417220.db2.gz DWAZJTUSXXEPTM-ZJUUUORDSA-N 1 0 206.293 0.972 10 0 BCAERO CCc1nccn1C[C@@]([NH3+])(C(N)=O)C1CC1 ZINC000068943268 643432475 /nfs/dbraw/zinc/43/24/75/643432475.db2.gz QFMOUOTUECQUSB-NSHDSACASA-N 1 0 222.292 0.038 10 0 BCAERO [NH3+][C@@H]1CCC[C@@H](C(=O)N[C@@H]2CCC[C@H](O)C2)C1 ZINC000070574418 643464221 /nfs/dbraw/zinc/46/42/21/643464221.db2.gz ADGCHWVWYSPGNK-KKOKHZNYSA-N 1 0 240.347 0.924 10 0 BCAERO CC(C)Cn1ncnc1COC1C[NH2+]C1 ZINC000083979014 643547791 /nfs/dbraw/zinc/54/77/91/643547791.db2.gz JWGKROJDKYEZKX-UHFFFAOYSA-N 1 0 210.281 0.423 10 0 BCAERO C[NH2+][C@H](C)C(=O)Nc1ccccc1C(N)=O ZINC000049942817 643561059 /nfs/dbraw/zinc/56/10/59/643561059.db2.gz QXZIIFAOJJXEPR-SSDOTTSWSA-N 1 0 221.260 0.332 10 0 BCAERO C[C@@H](C[NH3+])c1noc(-c2cnsn2)n1 ZINC000307670325 643566139 /nfs/dbraw/zinc/56/61/39/643566139.db2.gz UPVCGULUWYEWJC-BYPYZUCNSA-N 1 0 211.250 0.650 10 0 BCAERO C[NH2+][C@H](C)c1nc(-c2cnn(C)c2)no1 ZINC000083571435 643587927 /nfs/dbraw/zinc/58/79/27/643587927.db2.gz RLVBNNWCHXSOPY-ZCFIWIBFSA-N 1 0 207.237 0.751 10 0 BCAERO Cn1cc(-c2noc([C@H]3CCC[NH2+]3)n2)cn1 ZINC000083571428 643588613 /nfs/dbraw/zinc/58/86/13/643588613.db2.gz UVUFQCZVCQEHTI-MRVPVSSYSA-N 1 0 219.248 0.895 10 0 BCAERO CS/C=C/C(=O)N1CCC[C@H]([NH3+])C1 ZINC000307727907 643614823 /nfs/dbraw/zinc/61/48/23/643614823.db2.gz FNCLKWOKPZBROE-JQTRYQTASA-N 1 0 200.307 0.813 10 0 BCAERO CCOCCNC(=O)[C@H]1CCCC[C@H]1C[NH3+] ZINC000084301960 643655471 /nfs/dbraw/zinc/65/54/71/643655471.db2.gz SJBKEARXQBBTJT-QWRGUYRKSA-N 1 0 228.336 0.904 10 0 BCAERO COCCCC(=O)NCC1CC([NH3+])C1 ZINC000087438882 643658716 /nfs/dbraw/zinc/65/87/16/643658716.db2.gz ORRGEEUHBKJPLB-UHFFFAOYSA-N 1 0 200.282 0.267 10 0 BCAERO [NH3+]Cc1ccc(C(=O)N[C@@H]2CCCNC2=O)cc1 ZINC000050397183 643695881 /nfs/dbraw/zinc/69/58/81/643695881.db2.gz WLBDUCNVXKPBII-LLVKDONJSA-N 1 0 247.298 0.154 10 0 BCAERO COC(C[N@@H+]1CCC[C@@H]1CCCO)OC ZINC000085351446 643746597 /nfs/dbraw/zinc/74/65/97/643746597.db2.gz KRXBUYYBWWXKLT-SNVBAGLBSA-N 1 0 217.309 0.842 10 0 BCAERO CCC(CC)(CO)CN[C@H]1CC[NH2+]C1 ZINC000230209482 643766427 /nfs/dbraw/zinc/76/64/27/643766427.db2.gz UDWQSZZITNLAHI-JTQLQIEISA-N 1 0 200.326 0.737 10 0 BCAERO CC(C)N(C)S(=O)(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000085727649 643790352 /nfs/dbraw/zinc/79/03/52/643790352.db2.gz DMMUMEVFGRXKMF-VHSXEESVSA-N 1 0 249.380 0.302 10 0 BCAERO C[C@H]1[NH2+]CCC[C@@H]1NS(=O)(=O)CC1CC1 ZINC000085727453 643790457 /nfs/dbraw/zinc/79/04/57/643790457.db2.gz RPEIJWIVIHVSGN-SCZZXKLOSA-N 1 0 232.349 0.456 10 0 BCAERO CC(C)CCNC(=O)[C@@H](C)[NH2+]C(C)(C)CO ZINC000035188351 643914072 /nfs/dbraw/zinc/91/40/72/643914072.db2.gz RYZGLTWCQUQTOP-SNVBAGLBSA-N 1 0 230.352 0.898 10 0 BCAERO CCN(CC)C(=O)[C@@H](C)[NH2+]C(C)(C)CO ZINC000035188363 643914137 /nfs/dbraw/zinc/91/41/37/643914137.db2.gz SDXHLOPUWFWJLR-SECBINFHSA-N 1 0 216.325 0.604 10 0 BCAERO CC[C@H](C)NC(=O)[C@H](C)[NH2+]C(C)(C)CO ZINC000035188344 643914604 /nfs/dbraw/zinc/91/46/04/643914604.db2.gz HWUVDLHLDLDQKQ-IUCAKERBSA-N 1 0 216.325 0.650 10 0 BCAERO Cc1nccn1[C@H]1CCC[C@]([NH3+])(C(N)=O)C1 ZINC000086604654 644155322 /nfs/dbraw/zinc/15/53/22/644155322.db2.gz SXOBAOBNFRRTPN-GXSJLCMTSA-N 1 0 222.292 0.489 10 0 BCAERO COC(=O)[C@@]1([NH3+])CCC[C@@H](n2ccnc2)C1 ZINC000086604644 644155703 /nfs/dbraw/zinc/15/57/03/644155703.db2.gz OOSNPHLOMHKRBO-MWLCHTKSSA-N 1 0 223.276 0.869 10 0 BCAERO Cc1cnn([C@@H]2CCC[C@@]([NH3+])(C(N)=O)C2)c1 ZINC000086604703 644156090 /nfs/dbraw/zinc/15/60/90/644156090.db2.gz UUXLYHXJYZRJQK-KOLCDFICSA-N 1 0 222.292 0.489 10 0 BCAERO COC(=O)[C@@]1([NH3+])CC[C@@H](n2ccnc2C)C1 ZINC000086626660 644156615 /nfs/dbraw/zinc/15/66/15/644156615.db2.gz PBNNCXJXHZMBSN-MWLCHTKSSA-N 1 0 223.276 0.787 10 0 BCAERO Cc1ccn([C@@H]2CCC[C@]([NH3+])(C(N)=O)C2)n1 ZINC000086604733 644156796 /nfs/dbraw/zinc/15/67/96/644156796.db2.gz UQABNDMANWZMPO-MWLCHTKSSA-N 1 0 222.292 0.489 10 0 BCAERO Cc1cnn([C@@H]2CCC[C@]([NH3+])(C(N)=O)C2)c1 ZINC000086604701 644156798 /nfs/dbraw/zinc/15/67/98/644156798.db2.gz UUXLYHXJYZRJQK-MWLCHTKSSA-N 1 0 222.292 0.489 10 0 BCAERO C[NH2+]C[C@H]1CCCCN1c1nccn2cnnc12 ZINC000079471277 644183829 /nfs/dbraw/zinc/18/38/29/644183829.db2.gz ODPQTQUNNQKPJZ-SNVBAGLBSA-N 1 0 246.318 0.703 10 0 BCAERO CCN(c1ccnc(N(C)C)n1)[C@@H]1CC[NH2+]C1 ZINC000085432150 644440969 /nfs/dbraw/zinc/44/09/69/644440969.db2.gz TVBHDPBDEVOETC-SNVBAGLBSA-N 1 0 235.335 0.731 10 0 BCAERO O=C(C[C@@H]1CSCC[NH2+]1)N[C@@H]1CCCOC1 ZINC000085614423 644442756 /nfs/dbraw/zinc/44/27/56/644442756.db2.gz PGWIMTUCSWKKOO-NXEZZACHSA-N 1 0 244.360 0.377 10 0 BCAERO C[C@@H]1C[C@@H]1NC(=O)C[C@@H]1CSCC[NH2+]1 ZINC000085614160 644443384 /nfs/dbraw/zinc/44/33/84/644443384.db2.gz RKJKWNVUYOZFEC-HLTSFMKQSA-N 1 0 214.334 0.606 10 0 BCAERO O[C@@H](CN[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000086726306 644469015 /nfs/dbraw/zinc/46/90/15/644469015.db2.gz VETSREPHZUJCRF-NEPJUHHUSA-N 1 0 206.289 0.672 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)c1ccc[nH]c1=O ZINC000089091290 644533783 /nfs/dbraw/zinc/53/37/83/644533783.db2.gz AGDBROJNPFUFFF-WPRPVWTQSA-N 1 0 235.287 0.232 10 0 BCAERO [NH3+]C[C@H]1CCC[C@H]1NC(=O)Cc1cccnc1 ZINC000089090951 644534197 /nfs/dbraw/zinc/53/41/97/644534197.db2.gz MGUCXSAOUFYNQC-VXGBXAGGSA-N 1 0 233.315 0.868 10 0 BCAERO [NH3+]C1(C(=O)NC[C@H]2CCC[C@H]2O)CCCCC1 ZINC000089169780 644537439 /nfs/dbraw/zinc/53/74/39/644537439.db2.gz KNBMKYFYPYCAPC-GHMZBOCLSA-N 1 0 240.347 0.925 10 0 BCAERO COC(=O)[C@H](C)NC(=O)[C@@H]1CCCC[C@H]1C[NH3+] ZINC000089389790 644548120 /nfs/dbraw/zinc/54/81/20/644548120.db2.gz LUQMDHHNMDPSMI-LPEHRKFASA-N 1 0 242.319 0.429 10 0 BCAERO CCOC(=O)CNC(=O)[C@H]1CCCC[C@H]1C[NH3+] ZINC000089390339 644548650 /nfs/dbraw/zinc/54/86/50/644548650.db2.gz FOVCIPBJDCZNNE-UWVGGRQHSA-N 1 0 242.319 0.431 10 0 BCAERO CO[C@@H]1C[NH2+][C@H](C(=O)Nc2cccnc2C)C1 ZINC000091497004 644628086 /nfs/dbraw/zinc/62/80/86/644628086.db2.gz JWBAMAPWHMIUEL-ONGXEEELSA-N 1 0 235.287 0.705 10 0 BCAERO COc1ncccc1C(=O)NCC1CC([NH3+])C1 ZINC000091525757 644629684 /nfs/dbraw/zinc/62/96/84/644629684.db2.gz MUHBCAGXWBOICY-UHFFFAOYSA-N 1 0 235.287 0.557 10 0 BCAERO [NH3+][C@@H]1CC[C@H]2CN(C(=O)c3ccc[nH]c3=O)C[C@H]12 ZINC000248626522 644691020 /nfs/dbraw/zinc/69/10/20/644691020.db2.gz OEKJTKICRNWOAR-INTQDDNPSA-N 1 0 247.298 0.597 10 0 BCAERO CCC(=O)CCN1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000249126769 644714766 /nfs/dbraw/zinc/71/47/66/644714766.db2.gz XLMYLCJNEWMUGZ-NWDGAFQWSA-N 1 0 242.363 0.743 10 0 BCAERO CCNC(=O)CC[N@@H+]1C[C@H](C)[C@H](C(=O)OC)C1 ZINC000094996619 644734766 /nfs/dbraw/zinc/73/47/66/644734766.db2.gz IZEJCPLSGQHSLV-VHSXEESVSA-N 1 0 242.319 0.254 10 0 BCAERO COC(=O)[C@H]1C[N@H+](Cc2cccnc2N)C[C@H]1C ZINC000095022115 644738868 /nfs/dbraw/zinc/73/88/68/644738868.db2.gz AHBNZANRWMILKZ-KOLCDFICSA-N 1 0 249.314 0.905 10 0 BCAERO COC(=O)[C@H]1C[N@H+](CCn2ccnc2)C[C@@H]1C ZINC000095019952 644739580 /nfs/dbraw/zinc/73/95/80/644739580.db2.gz HXPGENWCLDDYAT-QWRGUYRKSA-N 1 0 237.303 0.624 10 0 BCAERO COC(=O)[C@H]1CN(CC[NH+]2CCCC2)C[C@@H]1C ZINC000095019955 644739640 /nfs/dbraw/zinc/73/96/40/644739640.db2.gz UBKNVXDEESSEMX-RYUDHWBXSA-N 1 0 240.347 0.823 10 0 BCAERO CCOC[C@H](O)C[N@@H+]1C[C@H](C)[C@@H](C(=O)OC)C1 ZINC000250568730 644765081 /nfs/dbraw/zinc/76/50/81/644765081.db2.gz VSRXGIXQPLDDQC-AXFHLTTASA-N 1 0 245.319 0.125 10 0 BCAERO [NH3+]C1CC(CNC(=O)[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000250670764 644776367 /nfs/dbraw/zinc/77/63/67/644776367.db2.gz UOPGFVFPHASRPX-UIVZKNLVSA-N 1 0 208.305 0.886 10 0 BCAERO [NH3+][C@@H]1CC[C@@H](C(=O)N[C@H]2CCCOC2)C1 ZINC000250989838 644788134 /nfs/dbraw/zinc/78/81/34/644788134.db2.gz CGUTVEJLQRSJRD-BBBLOLIVSA-N 1 0 212.293 0.409 10 0 BCAERO CC(C)OC[C@H](O)CN1C[C@@H](C)[NH2+]C[C@H]1C ZINC000251619094 644811897 /nfs/dbraw/zinc/81/18/97/644811897.db2.gz DVJAZQVZKXZEPA-IJLUTSLNSA-N 1 0 230.352 0.455 10 0 BCAERO COC(=O)[C@@H]1C[N@@H+]([C@@H]2CCC[C@H]2O)C[C@@H]1C ZINC000251862526 644829112 /nfs/dbraw/zinc/82/91/12/644829112.db2.gz SPWLGRZFLDIVQV-LNFKQOIKSA-N 1 0 227.304 0.641 10 0 BCAERO C[C@@H]1C[C@H]([C@@H]2CC[C@@H](C(=O)[O-])[NH2+]C2)CC[NH2+]1 ZINC000757242441 644865519 /nfs/dbraw/zinc/86/55/19/644865519.db2.gz YMXSIUQDDDHVOG-DBIOUOCHSA-N 1 0 226.320 0.827 10 0 BCAERO CCN1CCO[C@H](C[NH2+][C@H]2CCC[C@H]2OC)C1 ZINC000252630574 644869640 /nfs/dbraw/zinc/86/96/40/644869640.db2.gz AGPWZHWGCSTFBL-FRRDWIJNSA-N 1 0 242.363 0.864 10 0 BCAERO CCN1CCO[C@H](C[NH2+][C@@H]2CCC[C@H]2OC)C1 ZINC000252630575 644870616 /nfs/dbraw/zinc/87/06/16/644870616.db2.gz AGPWZHWGCSTFBL-JHJVBQTASA-N 1 0 242.363 0.864 10 0 BCAERO Fc1cc(N2CC[N@@H+]3CCC[C@H]3C2)ncn1 ZINC000252723728 644891625 /nfs/dbraw/zinc/89/16/25/644891625.db2.gz VGYLOQVHRRIYMC-VIFPVBQESA-N 1 0 222.267 0.900 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)N[C@H]2C[C@H]([NH3+])C2(C)C)O1 ZINC000253090569 644936598 /nfs/dbraw/zinc/93/65/98/644936598.db2.gz FDBLWEREZRFQJE-IMSYWVGJSA-N 1 0 226.320 0.796 10 0 BCAERO CCN(CC)C(=O)C[NH2+]C(C)(C)CO ZINC000035119583 645941542 /nfs/dbraw/zinc/94/15/42/645941542.db2.gz OJZASUFZIIEFDS-UHFFFAOYSA-N 1 0 202.298 0.215 10 0 BCAERO [NH3+]C[C@@H]1CCCN1C[C@@H]1C[C@@H]2COC[C@H]2O1 ZINC000724558213 711590151 /nfs/dbraw/zinc/59/01/51/711590151.db2.gz NZONDGCGNUWXGM-NOOOWODRSA-N 1 0 226.320 0.213 10 0 BCAERO [NH3+]C[C@@H]1CCCN1C[C@@H]1C[C@H]2COC[C@@H]2O1 ZINC000724558211 711590256 /nfs/dbraw/zinc/59/02/56/711590256.db2.gz NZONDGCGNUWXGM-BJDJZHNGSA-N 1 0 226.320 0.213 10 0 BCAERO C[C@@H]([NH2+]C(C)(C)CO)C(=O)NCC(F)(F)F ZINC000135786402 711661597 /nfs/dbraw/zinc/66/15/97/711661597.db2.gz ZIGUSSZGAXNQJT-ZCFIWIBFSA-N 1 0 242.241 0.414 10 0 BCAERO CC(C)(F)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000308999067 711659831 /nfs/dbraw/zinc/65/98/31/711659831.db2.gz QUDPWZMRTZYRFX-YIZRAAEISA-N 1 0 214.284 0.930 10 0 BCAERO CCCC(=O)NCC(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000236715788 711718825 /nfs/dbraw/zinc/71/88/25/711718825.db2.gz BKCFZJBDEQULLP-UWVGGRQHSA-N 1 0 241.335 0.146 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1Nc1cn[nH]c(=O)c1Cl ZINC000721899051 711812717 /nfs/dbraw/zinc/81/27/17/711812717.db2.gz PFVMGDLBUHIQET-PHDIDXHHSA-N 1 0 228.683 0.855 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1Nc1ncnc2c1CCC2 ZINC000721955530 711948009 /nfs/dbraw/zinc/94/80/09/711948009.db2.gz WSQMEYAMQKYGHY-LDYMZIIASA-N 1 0 218.304 0.985 10 0 BCAERO C[C@@H](CCC1CC1)[NH2+][C@@H]1CS(=O)(=O)C[C@H]1O ZINC000700565946 711995946 /nfs/dbraw/zinc/99/59/46/711995946.db2.gz RFNFRWYRGNDUKE-JMJZKYOTSA-N 1 0 247.360 0.313 10 0 BCAERO CC[C@@H]1COC[C@@H]1[NH2+][C@H]1CCOC[C@H]1O ZINC000706788541 712155309 /nfs/dbraw/zinc/15/53/09/712155309.db2.gz IDPCLVSKQONHRZ-VPOLOUISSA-N 1 0 215.293 0.151 10 0 BCAERO COC(=O)[C@@H]1CCCCN1C(=O)C1CC([NH3+])C1 ZINC000707296373 712169009 /nfs/dbraw/zinc/16/90/09/712169009.db2.gz QEQSPYPCUOLTIK-RTBKNWGFSA-N 1 0 240.303 0.278 10 0 BCAERO C[C@@H]1CN(C(=O)N[C@H]2CCOC2)C[C@H]1C[NH3+] ZINC000708214687 712183685 /nfs/dbraw/zinc/18/36/85/712183685.db2.gz FLNPPRGQLFZRTH-BBBLOLIVSA-N 1 0 227.308 0.012 10 0 BCAERO CCN1CC[C@H]([N@@H+]2C[C@@H](C)[C@H](CO)C2)C1=O ZINC000708697088 712197637 /nfs/dbraw/zinc/19/76/37/712197637.db2.gz CAGBIYIIWBNBTO-VWYCJHECSA-N 1 0 226.320 0.167 10 0 BCAERO CCOC(=O)/C=C/C[N@@H+]1C[C@@H](C)[C@H](CO)C1 ZINC000708807259 712199606 /nfs/dbraw/zinc/19/96/06/712199606.db2.gz ITXYNCJVBBYJKI-ZJRFNNFUSA-N 1 0 227.304 0.666 10 0 BCAERO CN(CCCCCC[NH3+])c1nnnn1C ZINC000710750430 712256572 /nfs/dbraw/zinc/25/65/72/712256572.db2.gz LKWNVGXWCZKODT-UHFFFAOYSA-N 1 0 212.301 0.165 10 0 BCAERO CC[C@]1(O)CCC[N@H+](C[C@H]2CNC(=O)O2)C1 ZINC000710603216 712264100 /nfs/dbraw/zinc/26/41/00/712264100.db2.gz RLAXENYAPOXZIS-KOLCDFICSA-N 1 0 228.292 0.332 10 0 BCAERO COC1(OC)CC[C@@H]1[NH2+][C@@H]1CCC(=O)N[C@H]1C ZINC000710965466 712269706 /nfs/dbraw/zinc/26/97/06/712269706.db2.gz IWBOFOBOUTWKLD-AEJSXWLSSA-N 1 0 242.319 0.395 10 0 BCAERO CC(C)(C)[C@@H](O)CNC(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000711279087 712292518 /nfs/dbraw/zinc/29/25/18/712292518.db2.gz FOXBIGXPCFEHFO-UWVGGRQHSA-N 1 0 242.363 0.755 10 0 BCAERO CON(C)C(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000378683173 712357665 /nfs/dbraw/zinc/35/76/65/712357665.db2.gz YTWYGCHINWHWHP-PHDIDXHHSA-N 1 0 226.198 0.404 10 0 BCAERO C[C@@H](O)[C@H](C)[NH2+]Cc1cnn(C)c1Cl ZINC000378847462 712366131 /nfs/dbraw/zinc/36/61/31/712366131.db2.gz AVCJIQHXMWWEBB-NKWVEPMBSA-N 1 0 217.700 0.932 10 0 BCAERO CC(C)OC[C@H](O)CN1CC[NH2+][C@@H](C)[C@H]1C ZINC000379496066 712386040 /nfs/dbraw/zinc/38/60/40/712386040.db2.gz QPNGUTWVSBBQCJ-QJPTWQEYSA-N 1 0 230.352 0.455 10 0 BCAERO CN(c1ncccn1)C1(C[NH3+])CCOCC1 ZINC000725018665 712393120 /nfs/dbraw/zinc/39/31/20/712393120.db2.gz QXIZSIRXDNRYSA-UHFFFAOYSA-N 1 0 222.292 0.421 10 0 BCAERO C[C@@H]1COCCN1C(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000713240154 712456159 /nfs/dbraw/zinc/45/61/59/712456159.db2.gz PVCLKOHEWDIHQG-SVDPJWKOSA-N 1 0 224.304 0.361 10 0 BCAERO CCCCN(CC)C(=O)[C@@H]1CO[C@H](C[NH3+])C1 ZINC000713800342 712466555 /nfs/dbraw/zinc/46/65/55/712466555.db2.gz GEMGIRRDRHWGEE-QWRGUYRKSA-N 1 0 228.336 0.999 10 0 BCAERO CCCCNC(=O)[C@H]1CO[C@@H](C[NH3+])C1 ZINC000713838385 712473220 /nfs/dbraw/zinc/47/32/20/712473220.db2.gz RIALCESVIIOXGG-RKDXNWHRSA-N 1 0 200.282 0.267 10 0 BCAERO COCC1CC(NC(=O)[C@@H]([NH3+])CCSC)C1 ZINC000713944737 712474185 /nfs/dbraw/zinc/47/41/85/712474185.db2.gz GBJWMDWUOUDJSA-RTBKNWGFSA-N 1 0 246.376 0.608 10 0 BCAERO C[NH2+][C@H](C)C(=O)NC1CC(COC)C1 ZINC000713930566 712473733 /nfs/dbraw/zinc/47/37/33/712473733.db2.gz LCPSPKHKUHOYEW-AFPNSQJFSA-N 1 0 200.282 0.136 10 0 BCAERO COCC1CC(NC(=O)C(C)(C)[NH3+])C1 ZINC000713930130 712473800 /nfs/dbraw/zinc/47/38/00/712473800.db2.gz JOHIFNJJTPFWDY-UHFFFAOYSA-N 1 0 200.282 0.265 10 0 BCAERO CC[C@H]([NH3+])C(=O)NC1CC(COC)C1 ZINC000713930484 712473822 /nfs/dbraw/zinc/47/38/22/712473822.db2.gz KEBLEQVKBMUKFI-HACHORDNSA-N 1 0 200.282 0.265 10 0 BCAERO COCC1CC(NC(=O)C2=CC[C@@H]([NH3+])C2)C1 ZINC000713996289 712476828 /nfs/dbraw/zinc/47/68/28/712476828.db2.gz RVWHBDYSBCADTK-LDGBHUKOSA-N 1 0 224.304 0.575 10 0 BCAERO COCC1CC([NH2+]C[C@@H](O)Cn2cccn2)C1 ZINC000714006094 712476926 /nfs/dbraw/zinc/47/69/26/712476926.db2.gz DXEKYKHKSYGYSX-HTAVTVPLSA-N 1 0 239.319 0.259 10 0 BCAERO COC[C@@H](O)C[NH2+]C1CC(COC)C1 ZINC000713959926 712475198 /nfs/dbraw/zinc/47/51/98/712475198.db2.gz DNFJOJLMWLXKKQ-RTBKNWGFSA-N 1 0 203.282 0.008 10 0 BCAERO CCCn1cc(C[NH2+][C@@H](C)[C@H](C)O)nn1 ZINC000714418355 712485966 /nfs/dbraw/zinc/48/59/66/712485966.db2.gz XGVPVVDTHLBVPJ-IUCAKERBSA-N 1 0 212.297 0.547 10 0 BCAERO Cn1nnnc1N1CCC(C(C)(C)C[NH3+])CC1 ZINC000714486033 712491945 /nfs/dbraw/zinc/49/19/45/712491945.db2.gz MIVWYZZRMQYJEL-UHFFFAOYSA-N 1 0 238.339 0.411 10 0 BCAERO C[C@H]1[C@H]([NH3+])CCN1S(=O)(=O)CCCC1CC1 ZINC000715051251 712505172 /nfs/dbraw/zinc/50/51/72/712505172.db2.gz UVIFCVRMGYSSJK-GXSJLCMTSA-N 1 0 246.376 0.928 10 0 BCAERO [NH3+]C1CC(CNC(=O)c2cnsn2)C1 ZINC000715073634 712506033 /nfs/dbraw/zinc/50/60/33/712506033.db2.gz SMFAMQIKYXCPID-UHFFFAOYSA-N 1 0 212.278 0.005 10 0 BCAERO COC(=O)CNC(=O)[C@]12C[NH2+]C[C@H]1CCCC2 ZINC000715344114 712521240 /nfs/dbraw/zinc/52/12/40/712521240.db2.gz PBFPMXKKIOVFJR-BXKDBHETSA-N 1 0 240.303 0.055 10 0 BCAERO C[C@@H]([NH2+]C[C@@H](O)C(C)(C)C)c1cn(C)nn1 ZINC000715843408 712533114 /nfs/dbraw/zinc/53/31/14/712533114.db2.gz OEWWNMDNSPIJQS-PSASIEDQSA-N 1 0 226.324 0.873 10 0 BCAERO C[C@@H]([NH2+]C1CC(S(C)(=O)=O)C1)[C@H]1CCCO1 ZINC000716086572 712550225 /nfs/dbraw/zinc/55/02/25/712550225.db2.gz YDKIELNMPNIEDP-AGVGLQIMSA-N 1 0 247.360 0.719 10 0 BCAERO C[C@H]1[C@H](C)OC[C@H]1[NH2+]C1CC(C(N)=O)C1 ZINC000716707952 712570316 /nfs/dbraw/zinc/57/03/16/712570316.db2.gz XBFFMJQZWIJDSJ-WHYYCLSJSA-N 1 0 212.293 0.263 10 0 BCAERO Cn1cccc1C[NH2+]C1CC(C(N)=O)C1 ZINC000716732400 712571646 /nfs/dbraw/zinc/57/16/46/712571646.db2.gz SDDCIBSIYIPIRZ-UHFFFAOYSA-N 1 0 207.277 0.379 10 0 BCAERO C[C@H]([NH2+]C1CC(C(N)=O)C1)[C@@H]1CCCO1 ZINC000716741162 712571974 /nfs/dbraw/zinc/57/19/74/712571974.db2.gz OFJHFVMYFBSYMS-NFTFJBJSSA-N 1 0 212.293 0.407 10 0 BCAERO CC[C@@H]1C[C@@H]([NH2+]C2CC(C(N)=O)C2)CCO1 ZINC000716769511 712572828 /nfs/dbraw/zinc/57/28/28/712572828.db2.gz JPQUOSBNMWEARK-QONHTCSSSA-N 1 0 226.320 0.798 10 0 BCAERO C[NH2+][C@@H](C)CNC(=O)c1ccc[nH]c1=O ZINC000379824983 712613306 /nfs/dbraw/zinc/61/33/06/712613306.db2.gz VSNXGHPSOHCCBS-ZETCQYMHSA-N 1 0 209.249 0.125 10 0 BCAERO C[NH2+][C@H](C)C(=O)NC[C@H]1CC(C)(C)CO1 ZINC000717618633 712662707 /nfs/dbraw/zinc/66/27/07/712662707.db2.gz OAZOENBPFULJKP-RKDXNWHRSA-N 1 0 214.309 0.526 10 0 BCAERO C[NH2+][C@@H](C)CNS(=O)(=O)c1ccns1 ZINC000717724583 712667476 /nfs/dbraw/zinc/66/74/76/712667476.db2.gz QSVYMAKSLMFQIE-LURJTMIESA-N 1 0 235.334 0.029 10 0 BCAERO O=S(=O)(NC[C@H]1CC[NH2+]C1)c1ccns1 ZINC000717736667 712669383 /nfs/dbraw/zinc/66/93/83/712669383.db2.gz POMPJPRJOXFCIV-ZETCQYMHSA-N 1 0 247.345 0.031 10 0 BCAERO C[C@H](NC(=O)c1c(C[NH3+])cnn1C)C1CC1 ZINC000719257725 712802250 /nfs/dbraw/zinc/80/22/50/712802250.db2.gz VAQHNWDUMUGKMZ-ZETCQYMHSA-N 1 0 222.292 0.407 10 0 BCAERO CN(C[C@@H]1CCCO1)C(=O)CC(C)(C)C[NH3+] ZINC000721213276 712899145 /nfs/dbraw/zinc/89/91/45/712899145.db2.gz DWLXUPFIMKLKNH-JTQLQIEISA-N 1 0 228.336 0.999 10 0 BCAERO CCO[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC000721230372 712899533 /nfs/dbraw/zinc/89/95/33/712899533.db2.gz MNGMQNSIAUEANE-GMTAPVOTSA-N 1 0 226.320 0.812 10 0 BCAERO CCN1CCC[C@@H]([NH2+]C[C@H](O)C(C)(C)C)C1=O ZINC000722352727 710708103 /nfs/dbraw/zinc/70/81/03/710708103.db2.gz KRQGSGGBRKPANQ-MNOVXSKESA-N 1 0 242.363 0.994 10 0 BCAERO C[C@H](NC(=O)C[C@@H]1C[NH2+]C[C@H]1C)[C@@H]1CCCO1 ZINC000722519289 710713966 /nfs/dbraw/zinc/71/39/66/710713966.db2.gz FBXYZAWGGIDPAX-KXNHARMFSA-N 1 0 240.347 0.916 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1CC(=O)NCC[C@H]1CCCO1 ZINC000722513527 710714009 /nfs/dbraw/zinc/71/40/09/710714009.db2.gz RSPXBRTYACKRTE-IJLUTSLNSA-N 1 0 240.347 0.917 10 0 BCAERO CO[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CC(=O)N(C)C1 ZINC000722742425 710719610 /nfs/dbraw/zinc/71/96/10/710719610.db2.gz QUCROVHVOPRJGH-GARJFASQSA-N 1 0 226.320 0.622 10 0 BCAERO C[C@@H]1C[C@@H]1[NH2+]Cc1cnc2n1CCOC2 ZINC000722846444 710721827 /nfs/dbraw/zinc/72/18/27/710721827.db2.gz ZIZBJQFUBAVRKA-SCZZXKLOSA-N 1 0 207.277 0.911 10 0 BCAERO COC(=O)/C(C)=C\C[NH2+][C@@H]1CCCC[C@H]1O ZINC000380671059 712902346 /nfs/dbraw/zinc/90/23/46/712902346.db2.gz HUPAHALOGGOMFN-ZNWQGHSCSA-N 1 0 227.304 0.999 10 0 BCAERO COC(=O)[C@@H]1C[N@H+](CCC[C@@H](C)O)C[C@@H]1C ZINC000381196003 710607834 /nfs/dbraw/zinc/60/78/34/710607834.db2.gz ZXRVMGQZSVOOLS-HBNTYKKESA-N 1 0 229.320 0.888 10 0 BCAERO CONC(=O)C[C@@H]([NH3+])Cc1ccccc1 ZINC000381304218 710618691 /nfs/dbraw/zinc/61/86/91/710618691.db2.gz JHZWZLQWKYFLSB-JTQLQIEISA-N 1 0 208.261 0.624 10 0 BCAERO CN(C[C@H]1CCCO1)C(=O)[C@@H]([NH3+])CC1CC1 ZINC000304396413 711452559 /nfs/dbraw/zinc/45/25/59/711452559.db2.gz UZPICGOMCCAFGS-MNOVXSKESA-N 1 0 226.320 0.751 10 0 BCAERO Cn1nccc1[C@H]1CCNC2=[NH+]CCN21 ZINC000236090143 711488957 /nfs/dbraw/zinc/48/89/57/711488957.db2.gz DACLWIOHLAIUHU-SECBINFHSA-N 1 0 205.265 0.126 10 0 BCAERO CC(C)(C)NC(=O)[C@@H]1CO[C@H](C[NH3+])C1 ZINC000713835839 711499721 /nfs/dbraw/zinc/49/97/21/711499721.db2.gz GSUZZAJPLKXZGQ-YUMQZZPRSA-N 1 0 200.282 0.265 10 0 BCAERO Cc1c[nH]nc1C(=O)N1CCC[C@@H]1C[NH3+] ZINC000257735430 711514555 /nfs/dbraw/zinc/51/45/55/711514555.db2.gz VTVZMECJPRODCZ-MRVPVSSYSA-N 1 0 208.265 0.281 10 0 BCAERO Cc1cc(NC[C@H]2CC(=O)N(C)C2)nc(N)[nH+]1 ZINC000723572076 711518870 /nfs/dbraw/zinc/51/88/70/711518870.db2.gz XHWOSVFPGRCMCD-MRVPVSSYSA-N 1 0 235.291 0.257 10 0 BCAERO CN1C[C@H](C[NH2+]C[C@H]2COC(C)(C)O2)CC1=O ZINC000723581979 711520978 /nfs/dbraw/zinc/52/09/78/711520978.db2.gz MOGRQGOYGWAEFS-UWVGGRQHSA-N 1 0 242.319 0.206 10 0 BCAERO C[NH2+]C1(C(=O)NCC[C@@H](C)O)CCC1 ZINC000308477727 711523608 /nfs/dbraw/zinc/52/36/08/711523608.db2.gz KGJXCQAFZHWAPJ-MRVPVSSYSA-N 1 0 200.282 0.016 10 0 BCAERO C[C@@H]1CN(c2cnccn2)C[C@H]1CC[NH3+] ZINC000723884990 711543241 /nfs/dbraw/zinc/54/32/41/711543241.db2.gz WWPGZQLSWLJSNN-NXEZZACHSA-N 1 0 206.293 0.898 10 0 BCAERO Cc1cn(C)nc1C[NH2+][C@H]1CCC(=O)N[C@@H]1C ZINC000723936604 711545415 /nfs/dbraw/zinc/54/54/15/711545415.db2.gz XSFCAKUXFVDQPB-ZJUUUORDSA-N 1 0 236.319 0.485 10 0 BCAERO C[NH2+]CCc1noc([C@@H](C)n2cccn2)n1 ZINC000721363627 711613485 /nfs/dbraw/zinc/61/34/85/711613485.db2.gz KQAREYZBXMZRQS-MRVPVSSYSA-N 1 0 221.264 0.637 10 0 BCAERO Cc1c(C[NH2+]CCO[C@@H]2CCOC2)cnn1C ZINC000724925065 711629186 /nfs/dbraw/zinc/62/91/86/711629186.db2.gz IZPRXQJWLYLEOU-GFCCVEGCSA-N 1 0 239.319 0.624 10 0 BCAERO Cc1c(C[NH2+][C@@H]2CC23CC(O)C3)cnn1C ZINC000724950804 711633280 /nfs/dbraw/zinc/63/32/80/711633280.db2.gz DKCHAQFAOBTRJK-MOENNCHZSA-N 1 0 221.304 0.732 10 0 BCAERO CC(C)(C)[C@H](O)C[NH2+]CCO[C@@H]1CCOC1 ZINC000724985873 711640835 /nfs/dbraw/zinc/64/08/35/711640835.db2.gz OETWZLNYNMVNTQ-GHMZBOCLSA-N 1 0 231.336 0.789 10 0 BCAERO CCCCC[C@H](O)CC(=O)NCC[NH3+] ZINC000308990080 711659553 /nfs/dbraw/zinc/65/95/53/711659553.db2.gz KWIGNJKYOBUAJM-VIFPVBQESA-N 1 0 202.298 0.393 10 0 BCAERO O=C(N[C@@H]1CC[NH2+]C1)c1cn2c(n1)CCCC2 ZINC000335027552 711720299 /nfs/dbraw/zinc/72/02/99/711720299.db2.gz FMQXUYWSFMHENY-SECBINFHSA-N 1 0 234.303 0.311 10 0 BCAERO C([C@@H]1CCCO1)N1CCC[C@]12CC[NH2+]C2 ZINC000257680828 711726249 /nfs/dbraw/zinc/72/62/49/711726249.db2.gz KYTRJBOCNVUZID-NWDGAFQWSA-N 1 0 210.321 0.993 10 0 BCAERO CC1(C)C[NH2+]C[C@H]1Nc1ccc2nccnc2n1 ZINC000721857336 711791747 /nfs/dbraw/zinc/79/17/47/711791747.db2.gz MIMCPBROOSKCDO-SNVBAGLBSA-N 1 0 243.314 0.808 10 0 BCAERO COc1cc(C)nc(N[C@@H]2C[NH2+]C[C@H]2C)n1 ZINC000721974371 711854979 /nfs/dbraw/zinc/85/49/79/711854979.db2.gz XZCFKRZWHTZTIJ-VXNVDRBHSA-N 1 0 222.292 0.813 10 0 BCAERO CO[C@H]1C[C@@H](C[N@@H+]2CC[C@@H]3OCCN[C@@H]3C2)C1 ZINC000721957895 711948050 /nfs/dbraw/zinc/94/80/50/711948050.db2.gz BNGKEODEUPCNIG-XQHKEYJVSA-N 1 0 240.347 0.474 10 0 BCAERO Cc1noc2ncnc(N3CCC[C@@H]3C[NH3+])c12 ZINC000131984763 711951744 /nfs/dbraw/zinc/95/17/44/711951744.db2.gz LDGRXCOGCRQPGM-MRVPVSSYSA-N 1 0 233.275 0.854 10 0 BCAERO Cc1nccnc1NCCN1CCC([NH3+])CC1 ZINC000321224484 711976310 /nfs/dbraw/zinc/97/63/10/711976310.db2.gz BNIVZVZXSUMONL-UHFFFAOYSA-N 1 0 235.335 0.620 10 0 BCAERO COc1cncc(C[NH2+]CC2CC(O)C2)c1 ZINC000700013939 711983684 /nfs/dbraw/zinc/98/36/84/711983684.db2.gz YKCHVEKYROSCEA-UHFFFAOYSA-N 1 0 222.288 0.951 10 0 BCAERO C(c1noc([C@@H]2C[NH2+]CCOC2)n1)C1CC1 ZINC000700375666 711990887 /nfs/dbraw/zinc/99/08/87/711990887.db2.gz CJEYNULOKUBQHK-SECBINFHSA-N 1 0 223.276 0.726 10 0 BCAERO CSCC[C@H](C)NC(=O)[C@H]1C[NH2+]CCOC1 ZINC000700497684 711995568 /nfs/dbraw/zinc/99/55/68/711995568.db2.gz VQHADXXWOYATGK-UWVGGRQHSA-N 1 0 246.376 0.480 10 0 BCAERO CC[C@@H]([NH2+][C@@H]1CS(=O)(=O)C[C@H]1O)C1CCC1 ZINC000700604152 712001201 /nfs/dbraw/zinc/00/12/01/712001201.db2.gz RAQWPBSJTSOCSJ-GMTAPVOTSA-N 1 0 247.360 0.313 10 0 BCAERO C[C@H](C[NH3+])N(C)C(=O)[C@@H]1Cc2ccccc2CO1 ZINC000700641528 712001294 /nfs/dbraw/zinc/00/12/94/712001294.db2.gz JGMWJKKFPYJREL-MFKMUULPSA-N 1 0 248.326 0.934 10 0 BCAERO CC(C)(C[NH3+])NC(=O)[C@@H]1Cc2ccccc2CO1 ZINC000700649906 712001687 /nfs/dbraw/zinc/00/16/87/712001687.db2.gz CUZBVLCHAMXWEO-LBPRGKRZSA-N 1 0 248.326 0.981 10 0 BCAERO [NH3+]CCCNC(=O)[C@H]1Cc2ccccc2CO1 ZINC000700665082 712001710 /nfs/dbraw/zinc/00/17/10/712001710.db2.gz NGMFBMKJKRQAOB-GFCCVEGCSA-N 1 0 234.299 0.593 10 0 BCAERO [NH3+][C@H]1CCN(C(=O)[C@H]2Cc3ccccc3CO2)C1 ZINC000700661912 712001760 /nfs/dbraw/zinc/00/17/60/712001760.db2.gz HXKTZLHGZHOQOF-QWHCGFSZSA-N 1 0 246.310 0.688 10 0 BCAERO CC[C@H]([NH3+])CNC(=O)[C@H]1Cc2ccccc2CO1 ZINC000700649359 712001834 /nfs/dbraw/zinc/00/18/34/712001834.db2.gz ANCQVZZMWCFAHF-QWHCGFSZSA-N 1 0 248.326 0.981 10 0 BCAERO C[C@@H]([NH3+])CNC(=O)[C@@H]1Cc2ccccc2CO1 ZINC000700659221 712001929 /nfs/dbraw/zinc/00/19/29/712001929.db2.gz BUISRHQFAGMUIW-SKDRFNHKSA-N 1 0 234.299 0.591 10 0 BCAERO [NH3+]C[C@H]1CCCN1C(=O)c1cccc(F)n1 ZINC000701079540 712014363 /nfs/dbraw/zinc/01/43/63/712014363.db2.gz POSHWZNPOKNQIB-MRVPVSSYSA-N 1 0 223.251 0.784 10 0 BCAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)c1cccc(F)n1 ZINC000701077071 712014379 /nfs/dbraw/zinc/01/43/79/712014379.db2.gz JVXOALPKKVDDSA-HTQZYQBOSA-N 1 0 223.251 0.782 10 0 BCAERO C[NH2+][C@H](C)CNC(=O)CCn1nc(C)cc1C ZINC000701170476 712017287 /nfs/dbraw/zinc/01/72/87/712017287.db2.gz GNCYCIOWSXHAIH-SNVBAGLBSA-N 1 0 238.335 0.614 10 0 BCAERO Cn1cc(/C=C\C(=O)N2CCC[C@H]2C[NH3+])cn1 ZINC000701378390 712021372 /nfs/dbraw/zinc/02/13/72/712021372.db2.gz JETJTVYRHWCIEW-WYGGZMRJSA-N 1 0 234.303 0.383 10 0 BCAERO Cn1cc(/C=C\C(=O)N2CCCC[C@H]2C[NH3+])cn1 ZINC000701376990 712021452 /nfs/dbraw/zinc/02/14/52/712021452.db2.gz RZHVLVMCUGDJIV-FJOGCWAESA-N 1 0 248.330 0.773 10 0 BCAERO C[C@H]([NH3+])CCNC(=O)c1ccc(CO)cc1 ZINC000701559153 712025216 /nfs/dbraw/zinc/02/52/16/712025216.db2.gz CJDQUQYEVMBLAN-VIFPVBQESA-N 1 0 222.288 0.646 10 0 BCAERO CO[C@@H]1CCN(C(=O)[C@]23CCC[C@H]2C[NH2+]C3)C1 ZINC000702009618 712036797 /nfs/dbraw/zinc/03/67/97/712036797.db2.gz SXZFXTNDHKHPEV-LOWVWBTDSA-N 1 0 238.331 0.623 10 0 BCAERO C[C@@H](NCc1ncccn1)[C@H]1CC[NH2+]C1 ZINC000702346662 712045942 /nfs/dbraw/zinc/04/59/42/712045942.db2.gz RRRONIUHRFMJAN-ZJUUUORDSA-N 1 0 206.293 0.564 10 0 BCAERO CC[C@@H](NC(=O)[C@@H](N)C[NH+](C)C)C(C)C ZINC000702395697 712049923 /nfs/dbraw/zinc/04/99/23/712049923.db2.gz XRLPIVDXIOHSGE-VHSXEESVSA-N 1 0 215.341 0.426 10 0 BCAERO CCCCOC[C@H](O)CN1C[C@H]([NH3+])C[C@H]1C ZINC000702632605 712057046 /nfs/dbraw/zinc/05/70/46/712057046.db2.gz JNVLXMOFFSDPPK-IJLUTSLNSA-N 1 0 230.352 0.586 10 0 BCAERO O=C(/C=C\c1ccccc1)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000702848001 712061217 /nfs/dbraw/zinc/06/12/17/712061217.db2.gz VSFSVFQELGPUTQ-ASOISWSRSA-N 1 0 246.310 0.396 10 0 BCAERO O[C@H]1COCC[C@@H]1[NH2+]CCc1ccccc1 ZINC000706766966 712154807 /nfs/dbraw/zinc/15/48/07/712154807.db2.gz YVOMRQOBTKXGBP-STQMWFEESA-N 1 0 221.300 0.969 10 0 BCAERO O[C@@H]1COCC[C@@H]1[NH2+]C[C@@H]1CCCOC1 ZINC000706791668 712155979 /nfs/dbraw/zinc/15/59/79/712155979.db2.gz WJZCIMORBWMIFO-GARJFASQSA-N 1 0 215.293 0.152 10 0 BCAERO OCc1c[nH+]ccc1N1CC(n2cccn2)C1 ZINC000707643887 712176241 /nfs/dbraw/zinc/17/62/41/712176241.db2.gz LHHMMQLVQHDJGR-UHFFFAOYSA-N 1 0 230.271 0.832 10 0 BCAERO CO[C@H]1C[C@@H](C[N@@H+]2C[C@@H](C)[C@H](CO)C2)C1 ZINC000708687955 712196897 /nfs/dbraw/zinc/19/68/97/712196897.db2.gz WLQRMYUFIDGHTR-WYUUTHIRSA-N 1 0 213.321 0.972 10 0 BCAERO C[C@@H]1C[N@H+](CCc2cn[nH]c2)C[C@H]1CO ZINC000708687053 712197004 /nfs/dbraw/zinc/19/70/04/712197004.db2.gz ONBNKTMIXQCUMK-KOLCDFICSA-N 1 0 209.293 0.512 10 0 BCAERO C[C@@H]1C[N@H+](CCCCS(C)(=O)=O)C[C@H]1CO ZINC000708698569 712197678 /nfs/dbraw/zinc/19/76/78/712197678.db2.gz ORJKSBKSQNIXTO-MNOVXSKESA-N 1 0 249.376 0.371 10 0 BCAERO C[C@H]1CN(C(=O)C(C)(F)F)C[C@@H]1C[NH3+] ZINC000708827655 712200000 /nfs/dbraw/zinc/20/00/00/712200000.db2.gz YRWLWBJXBFVOGB-BQBZGAKWSA-N 1 0 206.236 0.695 10 0 BCAERO C[C@H]1CN(C(=O)c2ccc[nH]c2=O)C[C@H]1C[NH3+] ZINC000708848027 712200757 /nfs/dbraw/zinc/20/07/57/712200757.db2.gz HPCHHFIZJJXNSX-DTWKUNHWSA-N 1 0 235.287 0.454 10 0 BCAERO C[C@@H]1CN(c2ncnc3c2CCC3)C[C@@H]1C[NH3+] ZINC000708840022 712200805 /nfs/dbraw/zinc/20/08/05/712200805.db2.gz SJNNWOALXLJAOI-ZJUUUORDSA-N 1 0 232.331 0.996 10 0 BCAERO Cc1cnc(CN2C[C@@H](C)[C@@H](C[NH3+])C2)nc1 ZINC000708878116 712202214 /nfs/dbraw/zinc/20/22/14/712202214.db2.gz UDFRWOXKWOVYNR-MNOVXSKESA-N 1 0 220.320 0.812 10 0 BCAERO CO[C@@H]1CN(Cc2ccn(C)n2)[C@@](C)(C[NH3+])C1 ZINC000708943834 712203595 /nfs/dbraw/zinc/20/35/95/712203595.db2.gz VIEJUSPECFMCAY-NWDGAFQWSA-N 1 0 238.335 0.358 10 0 BCAERO CO[C@@H]1CN(C(=O)C(C)(F)F)[C@@](C)(C[NH3+])C1 ZINC000708956038 712204437 /nfs/dbraw/zinc/20/44/37/712204437.db2.gz UQTQVYSBECCIAE-IONNQARKSA-N 1 0 236.262 0.606 10 0 BCAERO CC(=O)[C@@H]1CCC[N@H+](C[C@H]2COCCO2)C1 ZINC000708564088 712213459 /nfs/dbraw/zinc/21/34/59/712213459.db2.gz AVRUJSVKCIQTAY-NEPJUHHUSA-N 1 0 227.304 0.703 10 0 BCAERO O=C(CCC1C[NH2+]C1)NC[C@@H](O)C(F)(F)F ZINC000709399282 712220971 /nfs/dbraw/zinc/22/09/71/712220971.db2.gz DTKQTYZMQVRVMR-SSDOTTSWSA-N 1 0 240.225 0.025 10 0 BCAERO COC1CC(C[N@@H+]2CCC[C@@H](CO)[C@H]2CO)C1 ZINC000709824129 712228596 /nfs/dbraw/zinc/22/85/96/712228596.db2.gz FFOWKDCCROSBLJ-PYNQCMFNSA-N 1 0 243.347 0.477 10 0 BCAERO [NH3+][C@H]1CC[C@H](C(=O)NC[C@@H]2CCC[C@H]2O)CC1 ZINC000710867470 712260218 /nfs/dbraw/zinc/26/02/18/712260218.db2.gz DZQBDTRVUBIXOC-FIQHERPVSA-N 1 0 240.347 0.781 10 0 BCAERO [NH3+][C@H]1CC[C@H](C(=O)NC[C@@H]2CCC[C@@H]2O)CC1 ZINC000710867467 712260322 /nfs/dbraw/zinc/26/03/22/712260322.db2.gz DZQBDTRVUBIXOC-BJDJZHNGSA-N 1 0 240.347 0.781 10 0 BCAERO CO[C@@H]1C[C@@H]([NH2+][C@@H]2COCC[C@H]2O)C12CCC2 ZINC000710921755 712266283 /nfs/dbraw/zinc/26/62/83/712266283.db2.gz MQIFPMDNHCZSIX-DDHJBXDOSA-N 1 0 241.331 0.683 10 0 BCAERO CO[C@H]1C[C@@H]([NH2+][C@@H]2COCC[C@H]2O)C12CCC2 ZINC000710921767 712266309 /nfs/dbraw/zinc/26/63/09/712266309.db2.gz MQIFPMDNHCZSIX-KKOKHZNYSA-N 1 0 241.331 0.683 10 0 BCAERO COC1(OC)CC[C@@H]1[NH2+]CCn1cncn1 ZINC000710977602 712271066 /nfs/dbraw/zinc/27/10/66/712271066.db2.gz NFQYLCDECSJTKX-VIFPVBQESA-N 1 0 226.280 0.019 10 0 BCAERO CCN1CC[C@H]([NH2+][C@H]2CCC2(OC)OC)C1 ZINC000710987190 712272356 /nfs/dbraw/zinc/27/23/56/712272356.db2.gz HZZFQXSLUQJLND-QWRGUYRKSA-N 1 0 228.336 0.822 10 0 BCAERO CCOC(=O)CCCCC[N@H+](C)[C@@H](C)C(N)=O ZINC000711102852 712280635 /nfs/dbraw/zinc/28/06/35/712280635.db2.gz QUCCMDHLJLRFAB-JTQLQIEISA-N 1 0 244.335 0.916 10 0 BCAERO COC(=O)CCCC[N@H+](C)[C@@H](C)C(N)=O ZINC000711125114 712285884 /nfs/dbraw/zinc/28/58/84/712285884.db2.gz WWKVTZFQAJGNDA-QMMMGPOBSA-N 1 0 216.281 0.135 10 0 BCAERO C[C@@H]1COCCN1C(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000711237212 712290541 /nfs/dbraw/zinc/29/05/41/712290541.db2.gz KCPUJFQKCGXSKR-ZJUUUORDSA-N 1 0 226.320 0.479 10 0 BCAERO C[C@H]1COCCN1C(=O)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000711271179 712292148 /nfs/dbraw/zinc/29/21/48/712292148.db2.gz UBBBBZJKNYLWCY-LOWVWBTDSA-N 1 0 238.331 0.766 10 0 BCAERO CC(C)(C)[C@H](O)CNC(=O)[C@H]1C[NH2+]CC1(C)C ZINC000711279085 712292498 /nfs/dbraw/zinc/29/24/98/712292498.db2.gz FOXBIGXPCFEHFO-NXEZZACHSA-N 1 0 242.363 0.755 10 0 BCAERO C[C@H]1NC(=O)CC[C@@H]1[NH2+]CCOC1CC1 ZINC000711688098 712317212 /nfs/dbraw/zinc/31/72/12/712317212.db2.gz JOVNOGOJNDXFBS-SCZZXKLOSA-N 1 0 212.293 0.422 10 0 BCAERO C[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+][C@@H]1CCCC[C@H]1O ZINC000711707997 712319962 /nfs/dbraw/zinc/31/99/62/712319962.db2.gz WVYTVXJFFMSAIZ-CHWFTXMASA-N 1 0 247.360 0.313 10 0 BCAERO CO[C@@H]1CN(CCOC2CC2)[C@@](C)(C[NH3+])C1 ZINC000711776067 712328096 /nfs/dbraw/zinc/32/80/96/712328096.db2.gz DWVQFGCQMAYFFC-NWDGAFQWSA-N 1 0 228.336 0.604 10 0 BCAERO O[C@@H]1COCC[C@@H]1[NH2+]Cc1nccn1C1CC1 ZINC000711793869 712331089 /nfs/dbraw/zinc/33/10/89/712331089.db2.gz HBKZSKQDKVUDSE-WDEREUQCSA-N 1 0 237.303 0.457 10 0 BCAERO COC[C@@H](C)CN1C[C@@H](F)C[C@H]1C[NH3+] ZINC000378776274 712360251 /nfs/dbraw/zinc/36/02/51/712360251.db2.gz HQIOWPIQEXASTO-GUBZILKMSA-N 1 0 204.289 0.640 10 0 BCAERO CO[C@@H](C)CC(=O)N1C[C@@H](F)C[C@H]1C[NH3+] ZINC000378757161 712361117 /nfs/dbraw/zinc/36/11/17/712361117.db2.gz YQOOPAWXRQYWNM-CIUDSAMLSA-N 1 0 218.272 0.309 10 0 BCAERO C[C@@H](O)[C@@H](C)[NH2+]Cc1cnn(C)c1Cl ZINC000378847463 712366342 /nfs/dbraw/zinc/36/63/42/712366342.db2.gz AVCJIQHXMWWEBB-RNFRBKRXSA-N 1 0 217.700 0.932 10 0 BCAERO C[C@H]([NH2+]CCn1cncn1)[C@@H]1CCCCO1 ZINC000379250970 712371732 /nfs/dbraw/zinc/37/17/32/712371732.db2.gz FIUBYXVYCKMWTC-QWRGUYRKSA-N 1 0 224.308 0.825 10 0 BCAERO C[C@H](O)CCNC(=O)[C@H]([NH3+])CC1CC1 ZINC000379486974 712385547 /nfs/dbraw/zinc/38/55/47/712385547.db2.gz JXBWNCFPFAHENO-IONNQARKSA-N 1 0 200.282 0.001 10 0 BCAERO [NH3+]C1CC(CNS(=O)(=O)CC2CCC2)C1 ZINC000379719366 712393067 /nfs/dbraw/zinc/39/30/67/712393067.db2.gz VHTNVOFUGMUIEW-UHFFFAOYSA-N 1 0 232.349 0.443 10 0 BCAERO Cc1ccc([C@H](C)[NH2+]CCn2cnnn2)o1 ZINC000712600104 712436560 /nfs/dbraw/zinc/43/65/60/712436560.db2.gz VZPBMQMGLRJNLU-VIFPVBQESA-N 1 0 221.264 0.925 10 0 BCAERO CC(C)[C@@H]([NH3+])C(C)(C)C(=O)NCC[C@H](C)O ZINC000713003778 712451073 /nfs/dbraw/zinc/45/10/73/712451073.db2.gz NNKYBIPWLLSFIL-VHSXEESVSA-N 1 0 230.352 0.883 10 0 BCAERO Cc1cnn(CCNC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)c1 ZINC000713189058 712453868 /nfs/dbraw/zinc/45/38/68/712453868.db2.gz UJUWSPIMUOLUEW-MDZLAQPJSA-N 1 0 248.330 0.435 10 0 BCAERO C[C@H](O)CCNC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000713189944 712453878 /nfs/dbraw/zinc/45/38/78/712453878.db2.gz YSEIMGCSADKNPX-DKIAZLNASA-N 1 0 212.293 0.001 10 0 BCAERO C=C/C=C/CCN1CCOC[C@@]1(C[NH3+])CO ZINC000713754805 712471536 /nfs/dbraw/zinc/47/15/36/712471536.db2.gz KBYBERIKLBWIEE-AAOUONPWSA-N 1 0 226.320 0.141 10 0 BCAERO [NH3+]C[C@@H]1C[C@H](C(=O)NCc2ccccc2)CO1 ZINC000713797250 712472461 /nfs/dbraw/zinc/47/24/61/712472461.db2.gz UDVDPURJIDNRMZ-RYUDHWBXSA-N 1 0 234.299 0.667 10 0 BCAERO C[C@H](NC(=O)[C@@H]1CO[C@H](C[NH3+])C1)[C@@H]1CCCO1 ZINC000713797945 712472520 /nfs/dbraw/zinc/47/25/20/712472520.db2.gz WPNLXWCOTPVXLB-NAKRPEOUSA-N 1 0 242.319 0.034 10 0 BCAERO [NH3+]C[C@H]1C[C@H](C(=O)NCc2cccs2)CO1 ZINC000713901765 712472853 /nfs/dbraw/zinc/47/28/53/712472853.db2.gz LRAQAOUVMUXSGO-DTWKUNHWSA-N 1 0 240.328 0.728 10 0 BCAERO [NH3+]C[C@@H]1C[C@@H](C(=O)Nc2ccc(F)nc2)CO1 ZINC000713810708 712472917 /nfs/dbraw/zinc/47/29/17/712472917.db2.gz ISHKLQZFTFWYQP-APPZFPTMSA-N 1 0 239.250 0.523 10 0 BCAERO [NH3+]C[C@@H]1C[C@@H](C(=O)N2CCCCCC2)CO1 ZINC000713828063 712472920 /nfs/dbraw/zinc/47/29/20/712472920.db2.gz ZOAAFUHVDCQRTM-MNOVXSKESA-N 1 0 226.320 0.753 10 0 BCAERO CC(C)CN(C(=O)[C@@H]1CO[C@@H](C[NH3+])C1)C1CC1 ZINC000713926618 712473297 /nfs/dbraw/zinc/47/32/97/712473297.db2.gz IZERTKLIGXDLMY-CMPLNLGQSA-N 1 0 240.347 0.997 10 0 BCAERO CCC[C@H]([NH3+])C(=O)NC1CC(COC)C1 ZINC000713930703 712473763 /nfs/dbraw/zinc/47/37/63/712473763.db2.gz MMPKAYYQBGYJLT-RTBKNWGFSA-N 1 0 214.309 0.655 10 0 BCAERO COCC1CC(NC(=O)[C@H]([NH3+])CC(C)C)C1 ZINC000713942175 712474319 /nfs/dbraw/zinc/47/43/19/712474319.db2.gz CKWZKDOCQKNTKI-VQXHTEKXSA-N 1 0 228.336 0.901 10 0 BCAERO CCCc1noc([C@@H]2CO[C@@H](C[NH3+])C2)n1 ZINC000714078140 712478007 /nfs/dbraw/zinc/47/80/07/712478007.db2.gz UNWTTXMCJMKQLV-JGVFFNPUSA-N 1 0 211.265 0.853 10 0 BCAERO CCn1cc(CN2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)nn1 ZINC000714431000 712486324 /nfs/dbraw/zinc/48/63/24/712486324.db2.gz YZENDTIGZPOXAT-MVWJERBFSA-N 1 0 235.335 0.467 10 0 BCAERO CC(C)C1CC([NH2+][C@@H]2CS(=O)(=O)C[C@H]2O)C1 ZINC000714624121 712488564 /nfs/dbraw/zinc/48/85/64/712488564.db2.gz SRNNBJBWMDGHES-JPPWEJMLSA-N 1 0 247.360 0.169 10 0 BCAERO [NH3+]C[C@@H]1[C@H](C(=O)N[C@H]2CCC[C@H](O)C2)C1(F)F ZINC000715073507 712506215 /nfs/dbraw/zinc/50/62/15/712506215.db2.gz KDQYLVFHUYIBDX-RBXMUDONSA-N 1 0 248.273 0.246 10 0 BCAERO Cc1ccc(C(=O)NCC2CC([NH3+])C2)n1C ZINC000715082608 712507004 /nfs/dbraw/zinc/50/70/04/712507004.db2.gz UBHDDJKMSXXDAL-UHFFFAOYSA-N 1 0 221.304 0.801 10 0 BCAERO Cc1cnc(C(=O)NCC2CC([NH3+])C2)cn1 ZINC000715082037 712507019 /nfs/dbraw/zinc/50/70/19/712507019.db2.gz NVGFUFAZFKFZCR-UHFFFAOYSA-N 1 0 220.276 0.252 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)NC[C@H]2C[C@@H]([NH3+])C2)O1 ZINC000715081655 712507276 /nfs/dbraw/zinc/50/72/76/712507276.db2.gz KLJQTZGQFCBWNC-DOLQZWNJSA-N 1 0 212.293 0.407 10 0 BCAERO [NH3+][C@H]1C[C@@H](CNc2nnnn2-c2ccccc2)C1 ZINC000715107761 712509384 /nfs/dbraw/zinc/50/93/84/712509384.db2.gz CNRIZPVCGWZTQQ-AOOOYVTPSA-N 1 0 244.302 0.233 10 0 BCAERO [NH3+]C[C@@H]1[C@H](C(=O)N[C@H]2CCCOC2)C1(F)F ZINC000715128283 712511243 /nfs/dbraw/zinc/51/12/43/712511243.db2.gz MGEHZFMIPXSWHI-XLPZGREQSA-N 1 0 234.246 0.122 10 0 BCAERO CCCN(C)C(=O)[C@]12C[NH2+]C[C@H]1COCC2 ZINC000715433551 712518725 /nfs/dbraw/zinc/51/87/25/712518725.db2.gz JZCRPMJDQNABIQ-CMPLNLGQSA-N 1 0 226.320 0.481 10 0 BCAERO CON(C)C(=O)[C@]12C[NH2+]C[C@H]1CCCC2 ZINC000715464256 712519687 /nfs/dbraw/zinc/51/96/87/712519687.db2.gz JEONUKQGSJKGFR-MWLCHTKSSA-N 1 0 212.293 0.786 10 0 BCAERO C[C@H](NCC[C@@H]1CCC[N@@H+]1C)c1cn(C)nn1 ZINC000715929714 712543503 /nfs/dbraw/zinc/54/35/03/712543503.db2.gz SMQFOPBPYBFDFE-QWRGUYRKSA-N 1 0 237.351 0.950 10 0 BCAERO CC[C@@H]1COC[C@@H]1[NH2+][C@H](C)c1cn(C)nn1 ZINC000715942369 712544648 /nfs/dbraw/zinc/54/46/48/712544648.db2.gz IQBKSMZDEVVSGG-KKZNHRDASA-N 1 0 224.308 0.891 10 0 BCAERO CC[C@@](C)(C[NH2+]C1CC(C(N)=O)C1)OC ZINC000716704721 712570149 /nfs/dbraw/zinc/57/01/49/712570149.db2.gz FMVJQUDOBGCVLJ-AMUVOQDHSA-N 1 0 214.309 0.655 10 0 BCAERO CCSCC[NH2+]C1CC(C(N)=O)C1 ZINC000716699390 712570154 /nfs/dbraw/zinc/57/01/54/712570154.db2.gz QPUGZNIWDZQKKY-UHFFFAOYSA-N 1 0 202.323 0.593 10 0 BCAERO CSC1CC([NH2+]C2CC(C(N)=O)C2)C1 ZINC000716687595 712570160 /nfs/dbraw/zinc/57/01/60/712570160.db2.gz PPHHBFHTIWZGPH-UHFFFAOYSA-N 1 0 214.334 0.734 10 0 BCAERO C[C@H]([NH2+]C1CC(C(N)=O)C1)[C@H]1CCCCO1 ZINC000716699457 712570423 /nfs/dbraw/zinc/57/04/23/712570423.db2.gz SOYWRBRPDCOWRI-IDWGSYCQSA-N 1 0 226.320 0.798 10 0 BCAERO NC(=O)C1CC([NH2+]Cc2ccc(CO)cc2)C1 ZINC000716715541 712570697 /nfs/dbraw/zinc/57/06/97/712570697.db2.gz HPKBBDFYYZBELM-UHFFFAOYSA-N 1 0 234.299 0.532 10 0 BCAERO C[C@H](C[C@H]1CCOC1)[NH2+]C1CC(C(N)=O)C1 ZINC000716722396 712570940 /nfs/dbraw/zinc/57/09/40/712570940.db2.gz IYLMQCWQOWSBGT-NKVNRFPTSA-N 1 0 226.320 0.655 10 0 BCAERO CC[C@H]1COC[C@@H]1[NH2+]C1CC(C(N)=O)C1 ZINC000716729815 712571076 /nfs/dbraw/zinc/57/10/76/712571076.db2.gz BSUFNQFAJKSMTM-NFTFJBJSSA-N 1 0 212.293 0.265 10 0 BCAERO C[C@](O)(C[NH2+]C1CC(C(N)=O)C1)C(F)(F)F ZINC000716724796 712571091 /nfs/dbraw/zinc/57/10/91/712571091.db2.gz ZMUMOWMMCOPSJY-QIECLKSESA-N 1 0 240.225 0.153 10 0 BCAERO NC(=O)C1CC([NH2+]Cc2ccccn2)C1 ZINC000716729935 712571146 /nfs/dbraw/zinc/57/11/46/712571146.db2.gz DIJJAAATUCKDFU-UHFFFAOYSA-N 1 0 205.261 0.435 10 0 BCAERO NC(=O)C1CC([NH2+]Cc2ccncc2)C1 ZINC000716731304 712571184 /nfs/dbraw/zinc/57/11/84/712571184.db2.gz KKWBSVLQQYDCOB-UHFFFAOYSA-N 1 0 205.261 0.435 10 0 BCAERO NC(=O)C1CC([NH2+]C2CCSCC2)C1 ZINC000716730742 712571314 /nfs/dbraw/zinc/57/13/14/712571314.db2.gz HQKWBOCCVFZHRA-UHFFFAOYSA-N 1 0 214.334 0.736 10 0 BCAERO NC(=O)C1CC([NH2+]Cc2nccs2)C1 ZINC000716730744 712571328 /nfs/dbraw/zinc/57/13/28/712571328.db2.gz HQRWVTFVFCDBJG-UHFFFAOYSA-N 1 0 211.290 0.497 10 0 BCAERO NC(=O)C1CC([NH2+]Cc2cccc3c2OCC3)C1 ZINC000716732383 712571682 /nfs/dbraw/zinc/57/16/82/712571682.db2.gz RNHWUCDTVUIJLN-UHFFFAOYSA-N 1 0 246.310 0.975 10 0 BCAERO CCn1cc(C[NH2+]C2CC(C(N)=O)C2)cn1 ZINC000716755579 712572431 /nfs/dbraw/zinc/57/24/31/712572431.db2.gz OCLAMVNZXJNTAU-UHFFFAOYSA-N 1 0 222.292 0.257 10 0 BCAERO C[C@@H]1CN(C(=O)C[C@@H]2CC(C)(C)CO2)C[C@H]1[NH3+] ZINC000717091507 712630073 /nfs/dbraw/zinc/63/00/73/712630073.db2.gz LUSJVSYXDQPSBR-GMTAPVOTSA-N 1 0 240.347 0.997 10 0 BCAERO O=C(CC[NH2+]CC1CC1)N[C@@H]1CCC[C@H](O)C1 ZINC000717189293 712638324 /nfs/dbraw/zinc/63/83/24/712638324.db2.gz ZYBVYJSARAWWDS-NEPJUHHUSA-N 1 0 240.347 0.796 10 0 BCAERO Cc1coc(C(=O)NC[C@H]2CC[NH2+]C2)c1 ZINC000718454459 712763379 /nfs/dbraw/zinc/76/33/79/712763379.db2.gz COTBSTMTOBKQQT-VIFPVBQESA-N 1 0 208.261 0.927 10 0 BCAERO C[C@@H]1CO[C@H](C(=O)N2C[C@@H](C)[C@@H](C[NH3+])C2)C1 ZINC000718547982 712769424 /nfs/dbraw/zinc/76/94/24/712769424.db2.gz CPGCWGPHGJIOIJ-VLEAKVRGSA-N 1 0 226.320 0.465 10 0 BCAERO CC[C@](C)(O)C[N@@H+]1CC[C@H](C2OCCO2)C1 ZINC000719085020 712796206 /nfs/dbraw/zinc/79/62/06/712796206.db2.gz QTHXMGOVCMZYQG-JQWIXIFHSA-N 1 0 229.320 0.842 10 0 BCAERO C[C@@H]1C[C@@H]1NC(=O)c1c(C[NH3+])cnn1C ZINC000719245103 712801171 /nfs/dbraw/zinc/80/11/71/712801171.db2.gz PSSAYTKMWYWLQT-SVRRBLITSA-N 1 0 208.265 0.017 10 0 BCAERO C[C@@H]1CN(CCc2ccns2)C[C@@H]1[NH3+] ZINC000719829649 712823874 /nfs/dbraw/zinc/82/38/74/712823874.db2.gz BFOKXSDBPNTAIS-SCZZXKLOSA-N 1 0 211.334 0.965 10 0 BCAERO CO[C@H]1C[C@@H](CO)[N@H+](CCc2ccns2)C1 ZINC000719853018 712826296 /nfs/dbraw/zinc/82/62/96/712826296.db2.gz KZLSVICUNIHSOT-UWVGGRQHSA-N 1 0 242.344 0.767 10 0 BCAERO Cc1conc1CN1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000720396577 712838352 /nfs/dbraw/zinc/83/83/52/712838352.db2.gz QCCVGOFTJQDJHF-WDEREUQCSA-N 1 0 223.276 0.156 10 0 BCAERO C[C@H](C(=O)N1CCC[C@H]([NH3+])C1)[C@H]1CCCO1 ZINC000720526959 712849150 /nfs/dbraw/zinc/84/91/50/712849150.db2.gz PAGWGFKIGWPFMD-GARJFASQSA-N 1 0 226.320 0.751 10 0 BCAERO C[C@H](C(=O)N[C@H]1CC[NH2+]C1)[C@H]1CCCO1 ZINC000720573896 712852557 /nfs/dbraw/zinc/85/25/57/712852557.db2.gz RNMAVDIITCWYLJ-LPEHRKFASA-N 1 0 212.293 0.280 10 0 BCAERO C[C@H](NCC[NH2+]C(C)(C)C)c1cn(C)nn1 ZINC000720584341 712854639 /nfs/dbraw/zinc/85/46/39/712854639.db2.gz QMZUMUWFUBDCRJ-VIFPVBQESA-N 1 0 225.340 0.854 10 0 BCAERO C[C@H](C[C@@H]1CCC[NH2+]1)N[C@@H](C)c1cn(C)nn1 ZINC000720592627 712855876 /nfs/dbraw/zinc/85/58/76/712855876.db2.gz XYQYMRKJODWDNZ-VWYCJHECSA-N 1 0 237.351 0.996 10 0 BCAERO C[C@H](N[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)c1cn(C)nn1 ZINC000720593722 712856519 /nfs/dbraw/zinc/85/65/19/712856519.db2.gz AVEMHNMHKKFNPY-FABMZRAQSA-N 1 0 247.346 0.462 10 0 BCAERO C[NH2+]CCN(c1nccn2cnnc12)C(C)C ZINC000720790351 712865758 /nfs/dbraw/zinc/86/57/58/712865758.db2.gz DVEQNPKRMJCQTO-UHFFFAOYSA-N 1 0 234.307 0.559 10 0 BCAERO C[NH2+]CCN(c1ccnc(C(N)=O)c1)C(C)C ZINC000720790395 712865950 /nfs/dbraw/zinc/86/59/50/712865950.db2.gz FWKXCPASWFRANY-UHFFFAOYSA-N 1 0 236.319 0.615 10 0 BCAERO C[NH2+]CCN(c1nccc(OC)n1)C(C)C ZINC000720799983 712866627 /nfs/dbraw/zinc/86/66/27/712866627.db2.gz NYSDJTROJKMNKB-UHFFFAOYSA-N 1 0 224.308 0.919 10 0 BCAERO COc1c(C[NH2+]C[C@H]2C[C@H](O)C2)c(C)nn1C ZINC000720951901 712882119 /nfs/dbraw/zinc/88/21/19/712882119.db2.gz SNTCJILTPHZHSB-MGCOHNPYSA-N 1 0 239.319 0.598 10 0 BCAERO O=C(N[C@@H]1CCC[C@@H](O)C1)[C@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC000721023743 712887137 /nfs/dbraw/zinc/88/71/37/712887137.db2.gz FSTVVFFMDONDMM-JCIQBVFBSA-N 1 0 238.331 0.262 10 0 BCAERO C[NH2+]C[C@@H](C)c1noc(-c2cn(C)cn2)n1 ZINC000721054275 712889060 /nfs/dbraw/zinc/88/90/60/712889060.db2.gz TXDYPFLOFGSPSN-SSDOTTSWSA-N 1 0 221.264 0.793 10 0 BCAERO CC(C)C[NH+]1CCN(c2ccnc(N)n2)CC1 ZINC000132885216 719335937 /nfs/dbraw/zinc/33/59/37/719335937.db2.gz NJTRLAGNGPNUOB-UHFFFAOYSA-N 1 0 235.335 0.837 10 0 BCAERO C[C@H]1OCC[C@H]1[NH2+]CCOC[C@H]1CCCO1 ZINC000378687652 346806894 /nfs/dbraw/zinc/80/68/94/346806894.db2.gz GCGBGPQSXFDLAY-IJLUTSLNSA-N 1 0 229.320 0.949 10 0 BCAERO COC(=O)c1n[nH]nc1[C@@H]1CC[NH2+]C[C@H]1C ZINC000685954835 538899670 /nfs/dbraw/zinc/89/96/70/538899670.db2.gz VLSCJODRZPGRFS-RNFRBKRXSA-N 1 0 224.264 0.304 10 0 BCAERO C[C@@H]1CC[C@H](S(C)(=O)=O)[C@@H](C[NH3+])C1 ZINC000685955071 538899674 /nfs/dbraw/zinc/89/96/74/538899674.db2.gz SEOUSTZPRZJSCJ-HLTSFMKQSA-N 1 0 205.323 0.795 10 0 BCAERO CC[N@@H+]1CC[C@H](N)[C@@]12CN1CCC2CC1 ZINC000685955262 538900533 /nfs/dbraw/zinc/90/05/33/538900533.db2.gz WYUSERNHGQMRDE-RYUDHWBXSA-N 1 0 209.337 0.504 10 0 BCAERO C[C@@H]1C[C@H](S(C)(=O)=O)CC[C@H]1C[NH3+] ZINC000685955168 538900769 /nfs/dbraw/zinc/90/07/69/538900769.db2.gz VMSXJVFWIZEWAJ-HRDYMLBCSA-N 1 0 205.323 0.795 10 0 BCAERO [NH3+]CC(F)(F)Cn1cnc(C2CC2)n1 ZINC000685957198 538904521 /nfs/dbraw/zinc/90/45/21/538904521.db2.gz UMVXPSUAAVBSBG-UHFFFAOYSA-N 1 0 202.208 0.750 10 0 BCAERO CC(C)[C@@]1(CO)C[C@H]1C[NH+]1CCN(C)CC1 ZINC000685961430 538908526 /nfs/dbraw/zinc/90/85/26/538908526.db2.gz RLUMJXXIBWWEEA-STQMWFEESA-N 1 0 226.364 0.888 10 0 BCAERO COCC[NH2+]CC[C@@H](CO)[C@H]1CCOC1 ZINC000685961847 538908641 /nfs/dbraw/zinc/90/86/41/538908641.db2.gz WXNWOHOADPJWPR-QWRGUYRKSA-N 1 0 217.309 0.258 10 0 BCAERO COCC[NH2+]C[C@H]1C[C@@]1(CO)C(C)C ZINC000685961387 538908794 /nfs/dbraw/zinc/90/87/94/538908794.db2.gz QZQKEZJDLKAVPF-GHMZBOCLSA-N 1 0 201.310 0.877 10 0 BCAERO CC(C)[C@@]1(CO)C[C@@H]1C[NH+]1CCOCC1 ZINC000685961937 538909215 /nfs/dbraw/zinc/90/92/15/538909215.db2.gz YPIOPHNRUCHRKN-NEPJUHHUSA-N 1 0 213.321 0.973 10 0 BCAERO CCOC(=O)c1n[nH]nc1C1CC[NH2+]CC1 ZINC000685952792 538896640 /nfs/dbraw/zinc/89/66/40/538896640.db2.gz CIJWXYZKNRWZOF-UHFFFAOYSA-N 1 0 224.264 0.448 10 0 BCAERO CCS(=O)(=O)[C@@H]1CC[C@@H]([NH3+])C[C@H]1C ZINC000685953044 538896679 /nfs/dbraw/zinc/89/66/79/538896679.db2.gz FRDLDJMGXSOUMP-IWSPIJDZSA-N 1 0 205.323 0.937 10 0 BCAERO CCOC(=O)c1n[nH]nc1[C@H]1CC[NH2+][C@H]1C ZINC000685952713 538896724 /nfs/dbraw/zinc/89/67/24/538896724.db2.gz COLJWYQKAGAPBD-BQBZGAKWSA-N 1 0 224.264 0.447 10 0 BCAERO CCOC(=O)c1n[nH]nc1[C@H](C[NH3+])C(C)C ZINC000685953247 538897291 /nfs/dbraw/zinc/89/72/91/538897291.db2.gz JVLLHPHLYZIZBP-SSDOTTSWSA-N 1 0 226.280 0.680 10 0 BCAERO C[C@H](C(=O)N1CCCC1)n1cnc(N)c1 ZINC000685964195 538911010 /nfs/dbraw/zinc/91/10/10/538911010.db2.gz KQHWIHDDUCDVSX-MRVPVSSYSA-N 1 0 208.265 0.649 10 0 BCAERO CCc1nsc(N(C)[C@@H]2CC[NH2+]C2)n1 ZINC000083670640 136211504 /nfs/dbraw/zinc/21/15/04/136211504.db2.gz RBFFIFAQNJMFFG-SSDOTTSWSA-N 1 0 212.322 0.899 10 0 BCAERO CC[C@](C)(O)C[N@@H+]1C[C@H](C)C[C@@H](O)C1 ZINC000307692179 529374360 /nfs/dbraw/zinc/37/43/60/529374360.db2.gz RHJGWTFZMGZSIQ-MXWKQRLJSA-N 1 0 201.310 0.850 10 0 BCAERO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000385284964 398144539 /nfs/dbraw/zinc/14/45/39/398144539.db2.gz WNOBLSGWQOFJEX-KAMPLNKDSA-N 1 0 208.305 0.981 10 0 BCAERO CN(C(=O)n1cc[n+](C)c1)C1CCOCC1 ZINC000036322055 343978249 /nfs/dbraw/zinc/97/82/49/343978249.db2.gz PYRIKZUDIRVQHW-UHFFFAOYSA-N 1 0 224.284 0.392 10 0 BCAERO Cc1cc(CNC(=O)[C@H]2CC[NH2+]C2)on1 ZINC000062116653 178015497 /nfs/dbraw/zinc/01/54/97/178015497.db2.gz PERJKYKILOVWLZ-QMMMGPOBSA-N 1 0 209.249 0.209 10 0 BCAERO CCS(=O)(=O)C[C@H](C)[NH2+][C@H]1CCC[C@H](O)C1 ZINC000162231197 538921703 /nfs/dbraw/zinc/92/17/03/538921703.db2.gz FEKYRPDSFXKBMZ-DCAQKATOSA-N 1 0 249.376 0.703 10 0 BCAERO Cc1cc(C[NH2+][C@@H](C)C(N)=O)cc(C)c1O ZINC000035148831 178029867 /nfs/dbraw/zinc/02/98/67/178029867.db2.gz FMFIDYWQYAZQMJ-VIFPVBQESA-N 1 0 222.288 0.972 10 0 BCAERO C[C@@H]1SCC[C@@H]1NC(=O)[C@@H]1CC[NH2+]1 ZINC000307487659 398171298 /nfs/dbraw/zinc/17/12/98/398171298.db2.gz WBLHDYODFDYMBV-FXQIFTODSA-N 1 0 200.307 0.359 10 0 BCAERO C[NH2+][C@H](C)CNC(=O)Cn1cnc2ccccc21 ZINC000649360794 398173146 /nfs/dbraw/zinc/17/31/46/398173146.db2.gz PTRDWNZNHXRLGH-SNVBAGLBSA-N 1 0 246.314 0.760 10 0 BCAERO [NH3+][C@H](CC(F)F)C(=O)NCC[C@@H]1CCCO1 ZINC000390489875 398176615 /nfs/dbraw/zinc/17/66/15/398176615.db2.gz PDUUUIUTNFDTFP-JGVFFNPUSA-N 1 0 236.262 0.654 10 0 BCAERO C[C@@H]1C[C@@H](C)N(C(=O)[C@H]2C[NH2+]CCOC2)C1 ZINC000643711516 398180301 /nfs/dbraw/zinc/18/03/01/398180301.db2.gz UKWDWQZXKJGWFF-MXWKQRLJSA-N 1 0 226.320 0.479 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)NCCCC(=O)N(C)C ZINC000390183370 398162544 /nfs/dbraw/zinc/16/25/44/398162544.db2.gz QUWDCDZTHUJKLL-SNVBAGLBSA-N 1 0 243.351 0.344 10 0 BCAERO CN(Cc1ccsc1)C(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000035719280 398162791 /nfs/dbraw/zinc/16/27/91/398162791.db2.gz RJNHDPOLQIKEHQ-NXEZZACHSA-N 1 0 240.328 0.429 10 0 BCAERO c1ccc2[nH]c(NC[C@H]3C[NH2+]CCCO3)nc2c1 ZINC000390164036 398165091 /nfs/dbraw/zinc/16/50/91/398165091.db2.gz AVMNOXFWKXICKQ-SNVBAGLBSA-N 1 0 246.314 0.775 10 0 BCAERO C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000379787806 398167219 /nfs/dbraw/zinc/16/72/19/398167219.db2.gz IJKZPLPCXSVEIR-QUARPLMYSA-N 1 0 208.305 0.899 10 0 BCAERO Cc1cc(F)ccc1-n1nnnc1C[NH3+] ZINC000054744917 178080621 /nfs/dbraw/zinc/08/06/21/178080621.db2.gz FCMLZJMKIGQHAJ-UHFFFAOYSA-N 1 0 207.212 0.569 10 0 BCAERO COC[C@@H](C)C(=O)N1CCC(C)([NH3+])CC1 ZINC000390656091 398188533 /nfs/dbraw/zinc/18/85/33/398188533.db2.gz QSLZQBIJRNXAKS-SECBINFHSA-N 1 0 214.309 0.609 10 0 BCAERO Cc1cc(N(C)CC[NH+](C)C)ncc1N ZINC000077302296 178098206 /nfs/dbraw/zinc/09/82/06/178098206.db2.gz LZSOWZMZZXHCDM-UHFFFAOYSA-N 1 0 208.309 0.970 10 0 BCAERO COC[C@]1(C(=O)OC(C)(C)C)CC[NH2+]C1 ZINC000389719574 398196578 /nfs/dbraw/zinc/19/65/78/398196578.db2.gz PAQDGKKPXSZBDU-NSHDSACASA-N 1 0 215.293 0.954 10 0 BCAERO Cc1cnn(C)c1[C@@H](C[NH3+])C1(CO)CCC1 ZINC000536954482 398198117 /nfs/dbraw/zinc/19/81/17/398198117.db2.gz PZGIKOIJYRIDDP-SNVBAGLBSA-N 1 0 223.320 0.933 10 0 BCAERO COC[C@H]([NH3+])C(=O)N(C)[C@@H]1CCCC[C@H]1C ZINC000252108408 398185491 /nfs/dbraw/zinc/18/54/91/398185491.db2.gz HJQIRGJLAOOYSW-OUAUKWLOSA-N 1 0 228.336 0.997 10 0 BCAERO Cc1cc(N2CCC[C@H]2C[NH3+])n2ncnc2n1 ZINC000053663399 178116671 /nfs/dbraw/zinc/11/66/71/178116671.db2.gz WERBQFOWLAQDIB-VIFPVBQESA-N 1 0 232.291 0.360 10 0 BCAERO Cc1cc(N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)ncn1 ZINC000301656163 178120818 /nfs/dbraw/zinc/12/08/18/178120818.db2.gz LBYUZEWYHBLXRQ-MNOVXSKESA-N 1 0 234.303 0.304 10 0 BCAERO Cc1cc(N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)ncn1 ZINC000301656164 178121081 /nfs/dbraw/zinc/12/10/81/178121081.db2.gz LBYUZEWYHBLXRQ-QWRGUYRKSA-N 1 0 234.303 0.304 10 0 BCAERO CCOCCCC(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000638892673 398203794 /nfs/dbraw/zinc/20/37/94/398203794.db2.gz QIIJFPIIDVTTTR-GHMZBOCLSA-N 1 0 228.336 0.856 10 0 BCAERO CN1CCC[C@H]1C[N@@H+]1CCC[C@H](O)CC1 ZINC000386324341 398205655 /nfs/dbraw/zinc/20/56/55/398205655.db2.gz OEXCGDLNEOJHMI-RYUDHWBXSA-N 1 0 212.337 0.927 10 0 BCAERO Cc1cc(NC(=O)CN2CCC[C@H]2C[NH3+])no1 ZINC000123470818 178131392 /nfs/dbraw/zinc/13/13/92/178131392.db2.gz CHVLQMBLFWKXCV-VIFPVBQESA-N 1 0 238.291 0.345 10 0 BCAERO CC(C)(C)N1CC[NH2+]C[C@H]1c1cn[nH]n1 ZINC000616637763 398213801 /nfs/dbraw/zinc/21/38/01/398213801.db2.gz QGLSQFJRKLFVLS-VIFPVBQESA-N 1 0 209.297 0.550 10 0 BCAERO Cc1cccc(CN(C)[C@H]2C[NH2+]C[C@@H]2O)c1 ZINC000082524459 136221602 /nfs/dbraw/zinc/22/16/02/136221602.db2.gz GWYYOQPJHNNVGT-STQMWFEESA-N 1 0 220.316 0.760 10 0 BCAERO CN(Cc1ccsc1)[C@H]1C[NH2+]C[C@@H]1O ZINC000082524391 136221666 /nfs/dbraw/zinc/22/16/66/136221666.db2.gz MNJBSSZBFQBTKL-UWVGGRQHSA-N 1 0 212.318 0.513 10 0 BCAERO CC(C)(O)C[NH2+]C[C@H](O)CN1CCCCC1 ZINC000381001957 398217378 /nfs/dbraw/zinc/21/73/78/398217378.db2.gz OYBQLLFMFJFKPO-NSHDSACASA-N 1 0 230.352 0.194 10 0 BCAERO Cc1cc(NC(=O)[C@H]2CC[NH2+]C2)n(C)n1 ZINC000062112435 178147861 /nfs/dbraw/zinc/14/78/61/178147861.db2.gz OJDOELXHQKYCGW-QMMMGPOBSA-N 1 0 208.265 0.277 10 0 BCAERO Cc1cc(NCC[C@H]2CC[NH2+]C2)n2ncnc2n1 ZINC000110797991 178163760 /nfs/dbraw/zinc/16/37/60/178163760.db2.gz IXLNWFKKDMSVIN-SNVBAGLBSA-N 1 0 246.318 0.844 10 0 BCAERO Cc1cc(NC(=O)[C@@H]2CCC[C@H]2[NH3+])n(C)n1 ZINC000082920238 136222121 /nfs/dbraw/zinc/22/21/21/136222121.db2.gz QURRAIMUKMCPQT-RKDXNWHRSA-N 1 0 222.292 0.794 10 0 BCAERO NC(=O)c1cccc([C@H]2C[NH2+]CCOC2)c1 ZINC000616658671 398223184 /nfs/dbraw/zinc/22/31/84/398223184.db2.gz BWEZICOFJJKCFN-NSHDSACASA-N 1 0 220.272 0.489 10 0 BCAERO Cc1cc(O)cc(C)c1C[C@H]([NH3+])C(N)=O ZINC000028339347 178199609 /nfs/dbraw/zinc/19/96/09/178199609.db2.gz ALYWNQGYSGHOMA-JTQLQIEISA-N 1 0 208.261 0.364 10 0 BCAERO Cc1c(C[N@H+](C)CC2CC(O)C2)cnn1C ZINC000276046577 538931774 /nfs/dbraw/zinc/93/17/74/538931774.db2.gz OFEHNBOBWUVVQW-UHFFFAOYSA-N 1 0 223.320 0.931 10 0 BCAERO CC(C)[C@@](C)(O)C[N@@H+]1C[C@H](O)C[C@H]1C ZINC000306642498 361768425 /nfs/dbraw/zinc/76/84/25/361768425.db2.gz TWWGXUFPWCDCTH-MXWKQRLJSA-N 1 0 201.310 0.849 10 0 BCAERO Cc1cc(SCCN2CC[NH2+]CC2)n(C)n1 ZINC000052311681 178218197 /nfs/dbraw/zinc/21/81/97/178218197.db2.gz SVAIKAXBZQNNLS-UHFFFAOYSA-N 1 0 240.376 0.726 10 0 BCAERO Cc1nnc(NCC[NH2+]C2CC2)nc1C ZINC000164497023 538933533 /nfs/dbraw/zinc/93/35/33/538933533.db2.gz UYSMDBYXPXJRJF-UHFFFAOYSA-N 1 0 207.281 0.652 10 0 BCAERO Cc1cc([C@@H]2NC(=O)CC[C@H]2[NH3+])c(C)n1C ZINC000238854944 178242849 /nfs/dbraw/zinc/24/28/49/178242849.db2.gz PTKZVLQWXWDTNY-PWSUYJOCSA-N 1 0 221.304 0.920 10 0 BCAERO Cc1cc2c(NC[C@H]3C[NH2+]CCO3)nccn2n1 ZINC000129945445 178281484 /nfs/dbraw/zinc/28/14/84/178281484.db2.gz PPVQCVONWHEMGU-SNVBAGLBSA-N 1 0 247.302 0.438 10 0 BCAERO CC(C)n1cc(O[C@H]2C[NH2+]C[C@@H]2O)cn1 ZINC000167367187 538941111 /nfs/dbraw/zinc/94/11/11/538941111.db2.gz IBPYWLDOOULMNX-UWVGGRQHSA-N 1 0 211.265 0.176 10 0 BCAERO COC[C@H](C)NC(=O)c1coc(C[NH3+])c1 ZINC000381269769 398249876 /nfs/dbraw/zinc/24/98/76/398249876.db2.gz VGLPNTNFJFDHLL-ZETCQYMHSA-N 1 0 212.249 0.503 10 0 BCAERO CO[C@H]1C[C@H](CO)[N@H+](CC2CCOCC2)C1 ZINC000343955849 365644702 /nfs/dbraw/zinc/64/47/02/365644702.db2.gz NZDBDHFOPXPKRL-NEPJUHHUSA-N 1 0 229.320 0.495 10 0 BCAERO CCC(CC)N(C)C(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000036789274 168367214 /nfs/dbraw/zinc/36/72/14/168367214.db2.gz ZVLJTYQYMQLCAK-UWVGGRQHSA-N 1 0 214.309 0.356 10 0 BCAERO C[C@H]1C[C@@H](NC(=O)[C@@H]2CCC[NH2+][C@@H]2C)CO1 ZINC000576705319 365664126 /nfs/dbraw/zinc/66/41/26/365664126.db2.gz ZOVUVPLLTSHXKA-LNFKQOIKSA-N 1 0 226.320 0.668 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N[C@@H]1C[C@H](C)O[C@H]1C ZINC000384617750 398259295 /nfs/dbraw/zinc/25/92/95/398259295.db2.gz PPDSTKVHMHIQSB-AATLWQCWSA-N 1 0 214.309 0.796 10 0 BCAERO Cc1ccc(-n2nnnc2C[NH3+])c(C)c1 ZINC000054744416 178350789 /nfs/dbraw/zinc/35/07/89/178350789.db2.gz IMPMBBZNKIADRF-UHFFFAOYSA-N 1 0 203.249 0.738 10 0 BCAERO C[NH2+][C@H](C)CNC(=O)c1cc(C)[nH]c1C ZINC000381508040 398260544 /nfs/dbraw/zinc/26/05/44/398260544.db2.gz UGZRIVDMSOMSAG-MRVPVSSYSA-N 1 0 209.293 0.969 10 0 BCAERO COCCN1CC[C@@H]([NH2+][C@@H]2CCO[C@@H]2C)C1 ZINC000378748088 346823193 /nfs/dbraw/zinc/82/31/93/346823193.db2.gz SKZDZWZBBPYAHC-IJLUTSLNSA-N 1 0 228.336 0.474 10 0 BCAERO CC(C)[C@@H]([NH2+]Cc1ccc(O)cc1)C(N)=O ZINC000231036229 538952288 /nfs/dbraw/zinc/95/22/88/538952288.db2.gz LEPUVZQPSJMEBN-LLVKDONJSA-N 1 0 222.288 0.992 10 0 BCAERO CCC(CC)[N@H+](CCO)C[C@]1(CO)CCOC1 ZINC000051295242 168373768 /nfs/dbraw/zinc/37/37/68/168373768.db2.gz SXECBAOWRRTBKF-ZDUSSCGKSA-N 1 0 245.363 0.868 10 0 BCAERO CN1CCC[C@@H]1C[N@@H+]1CC[C@H](CCO)C1 ZINC000386340648 398264961 /nfs/dbraw/zinc/26/49/61/398264961.db2.gz RSIKJLZHGIWZAF-VXGBXAGGSA-N 1 0 212.337 0.785 10 0 BCAERO CCC(CC)N(CCO)C(=O)[C@H]1C[NH2+]C[C@H]1C ZINC000104214889 168374251 /nfs/dbraw/zinc/37/42/51/168374251.db2.gz XDECAAJNEOWECK-PWSUYJOCSA-N 1 0 242.363 0.851 10 0 BCAERO Cc1ccc(C(=O)N2CC[C@H]([NH3+])[C@H]2C)cn1 ZINC000309266897 178397181 /nfs/dbraw/zinc/39/71/81/178397181.db2.gz FICPBTOESVQOCV-KOLCDFICSA-N 1 0 219.288 0.952 10 0 BCAERO COC(C)(C)CN(C)CC(F)(F)CN ZINC000404239941 538954834 /nfs/dbraw/zinc/95/48/34/538954834.db2.gz DKFBQAJCSVEYNR-UHFFFAOYSA-N 1 0 210.268 0.937 10 0 BCAERO CCC(CC)NC(=O)C[NH2+][C@@H](C)C(=O)N(C)C ZINC000049285812 168376810 /nfs/dbraw/zinc/37/68/10/168376810.db2.gz RYWOPJVEJFWPRT-VIFPVBQESA-N 1 0 243.351 0.358 10 0 BCAERO O=C(N[C@@H]1CC=CCC1)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188909466 346850443 /nfs/dbraw/zinc/85/04/43/346850443.db2.gz IMYBMKNNPLOQLX-IVZWLZJFSA-N 1 0 212.268 0.911 10 0 BCAERO Cc1ncc(C(=O)N[C@@H]2CCC[NH2+][C@H]2C)[nH]1 ZINC000335021788 398275238 /nfs/dbraw/zinc/27/52/38/398275238.db2.gz FOUHCBSVUHCPTE-IONNQARKSA-N 1 0 222.292 0.588 10 0 BCAERO COC[C@H](C)C[N@@H+]1CCCNC(=O)[C@H]1C ZINC000189086411 346857241 /nfs/dbraw/zinc/85/72/41/346857241.db2.gz KMSPORPPFOLVNC-NXEZZACHSA-N 1 0 214.309 0.479 10 0 BCAERO CCCNC(=O)CN1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000113271176 398275942 /nfs/dbraw/zinc/27/59/42/398275942.db2.gz BZNRYMFUCDEEGH-NWDGAFQWSA-N 1 0 239.363 0.681 10 0 BCAERO C[C@H](CNC(=O)OC(C)(C)C)[C@H]([NH3+])CN ZINC000306651586 361856087 /nfs/dbraw/zinc/85/60/87/361856087.db2.gz GGLZNOJSKKDWLF-HTQZYQBOSA-N 1 0 217.313 0.433 10 0 BCAERO C[C@@H](CNC(=O)OC(C)(C)C)[C@@H]([NH3+])CN ZINC000306651589 361856394 /nfs/dbraw/zinc/85/63/94/361856394.db2.gz GGLZNOJSKKDWLF-YUMQZZPRSA-N 1 0 217.313 0.433 10 0 BCAERO Cn1nccc1C[NH2+][C@@H]1CCC[C@@H](O)C1 ZINC000037166236 538961791 /nfs/dbraw/zinc/96/17/91/538961791.db2.gz BFUCXWAMCWJTMI-MWLCHTKSSA-N 1 0 209.293 0.813 10 0 BCAERO COC(=O)[C@@H]1CCC[N@H+](CCc2cnccn2)C1 ZINC000402600747 342743692 /nfs/dbraw/zinc/74/36/92/342743692.db2.gz KLWDRHRVTACWMA-LLVKDONJSA-N 1 0 249.314 0.904 10 0 BCAERO C=CS(=O)(=O)N1CC[C@@H]([NH+](C)C)[C@H]1C ZINC000306655028 361862962 /nfs/dbraw/zinc/86/29/62/361862962.db2.gz XFGGVANJAQYZGQ-RKDXNWHRSA-N 1 0 218.322 0.484 10 0 BCAERO NCc1noc(C[C@@H]2CCC[NH2+]CC2)n1 ZINC000309593478 342729166 /nfs/dbraw/zinc/72/91/66/342729166.db2.gz HOUUQWCBEUPIQX-MRVPVSSYSA-N 1 0 210.281 0.461 10 0 BCAERO CCOCCNC(=O)C[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000183221657 538965824 /nfs/dbraw/zinc/96/58/24/538965824.db2.gz GHEZVNYMVYVLOH-QWRGUYRKSA-N 1 0 244.335 0.296 10 0 BCAERO Cn1cc(C[NH2+][C@H]2CCC[C@@H](O)C2)nn1 ZINC000054860415 398284147 /nfs/dbraw/zinc/28/41/47/398284147.db2.gz LTKZDQCUNPOZAZ-WCBMZHEXSA-N 1 0 210.281 0.208 10 0 BCAERO N#Cc1cccc2c1OC[C@H]2CN1CC[NH2+]CC1 ZINC000145781626 342763304 /nfs/dbraw/zinc/76/33/04/342763304.db2.gz MEEMNISDIOAZRH-GFCCVEGCSA-N 1 0 243.310 0.939 10 0 BCAERO COCC1(NC(=O)[C@H]2CCC[NH2+]C2)CC1 ZINC000309653255 342776393 /nfs/dbraw/zinc/77/63/93/342776393.db2.gz ULPHHJNYCDACOG-VIFPVBQESA-N 1 0 212.293 0.281 10 0 BCAERO CC1(C)CN(C(=O)N2CCOCC2)CC[C@@H]1[NH3+] ZINC000336339744 342801891 /nfs/dbraw/zinc/80/18/91/342801891.db2.gz PRHIEJHJPDMAQO-JTQLQIEISA-N 1 0 241.335 0.498 10 0 BCAERO CC1(C)C[C@@H]1NC(=O)[C@@H]1CSCC[NH2+]1 ZINC000126879636 342797379 /nfs/dbraw/zinc/79/73/79/342797379.db2.gz DOBACQIOKLSQIB-YUMQZZPRSA-N 1 0 214.334 0.606 10 0 BCAERO COc1cccc(F)c1C1(C[NH3+])OCCO1 ZINC000127015593 342814515 /nfs/dbraw/zinc/81/45/15/342814515.db2.gz JWMLQBRYDHFLJD-UHFFFAOYSA-N 1 0 227.235 0.993 10 0 BCAERO CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2CCOC[C@@H]2O)CCO1 ZINC000623767102 398288341 /nfs/dbraw/zinc/28/83/41/398288341.db2.gz PYGBCBSCJNEAQQ-NDBYEHHHSA-N 1 0 243.347 0.929 10 0 BCAERO [NH3+][C@H]1CC[C@@H](C(=O)N2CCC(CCO)CC2)C1 ZINC000401001666 398288406 /nfs/dbraw/zinc/28/84/06/398288406.db2.gz BRMLYYXEMOXMAH-NEPJUHHUSA-N 1 0 240.347 0.735 10 0 BCAERO [NH3+]CC(=O)Nc1ccncc1Br ZINC000126957239 342807530 /nfs/dbraw/zinc/80/75/30/342807530.db2.gz UQKTWJPYXBZTGM-UHFFFAOYSA-N 1 0 230.065 0.741 10 0 BCAERO C[C@@H](C(N)=S)[N@@H+]1CC[C@H](O)[C@H](C)C1 ZINC000126955890 342807668 /nfs/dbraw/zinc/80/76/68/342807668.db2.gz HCMJLXHSOJCZON-CSMHCCOUSA-N 1 0 202.323 0.364 10 0 BCAERO Cc1nc([C@H]2NC(=O)CC[C@@H]2[NH3+])cs1 ZINC000126970092 342807699 /nfs/dbraw/zinc/80/76/99/342807699.db2.gz FAJMOPKZMOSKJL-RCOVLWMOSA-N 1 0 211.290 0.730 10 0 BCAERO C[C@H](C[NH2+]CC1(F)CC1)N1CCOCC1 ZINC000380149681 538986398 /nfs/dbraw/zinc/98/63/98/538986398.db2.gz XMNZRSSQEYYDLI-SNVBAGLBSA-N 1 0 216.300 0.799 10 0 BCAERO NC(=O)[C@@]1([NH2+]C2CCCCC2)CCOC1 ZINC000070992750 361927610 /nfs/dbraw/zinc/92/76/10/361927610.db2.gz NLKRGZVPCNJRNS-LLVKDONJSA-N 1 0 212.293 0.553 10 0 BCAERO CCc1ccc2c(c1)N1CC[NH2+]C[C@H]1NC2=O ZINC000138399515 342829971 /nfs/dbraw/zinc/82/99/71/342829971.db2.gz LWEKKQXQUUOXQF-LBPRGKRZSA-N 1 0 231.299 0.728 10 0 BCAERO COC(=O)CCCN(C)C(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000091539441 398293502 /nfs/dbraw/zinc/29/35/02/398293502.db2.gz JIPMTLMNPLZKHJ-VHSXEESVSA-N 1 0 242.319 0.525 10 0 BCAERO OCCN1CCC[C@@H]([NH2+]CC2(F)CC2)C1 ZINC000379980666 538983247 /nfs/dbraw/zinc/98/32/47/538983247.db2.gz HDJDHSPAUIXVOI-SNVBAGLBSA-N 1 0 216.300 0.535 10 0 BCAERO COC[C@@H](C)C[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000189748561 538984951 /nfs/dbraw/zinc/98/49/51/538984951.db2.gz CBNICIKCJPSBGU-STQMWFEESA-N 1 0 242.363 0.675 10 0 BCAERO Cc1nnc2n1C[C@H]([NH2+][C@@H]1CCOC1)CC2 ZINC000381563486 539003798 /nfs/dbraw/zinc/00/37/98/539003798.db2.gz SFHARDWEOOFEDZ-NXEZZACHSA-N 1 0 222.292 0.280 10 0 BCAERO C[C@@H](CCCCO)[NH2+]C[C@H]1CN(C)CCO1 ZINC000381035082 538994512 /nfs/dbraw/zinc/99/45/12/538994512.db2.gz BDLAULDVTANXSC-RYUDHWBXSA-N 1 0 230.352 0.458 10 0 BCAERO CC(C)[C@@H]([NH3+])C(=O)N1CCN(C)[C@H](C)C1 ZINC000082484610 259323423 /nfs/dbraw/zinc/32/34/23/259323423.db2.gz KEYAYXXXNNZSDU-NXEZZACHSA-N 1 0 213.325 0.132 10 0 BCAERO CC(C)(C)OC1CC([NH2+][C@@H]2CCNC2=O)C1 ZINC000390350155 539020983 /nfs/dbraw/zinc/02/09/83/539020983.db2.gz PABBPCKCJPHAIW-UDNWOFFPSA-N 1 0 226.320 0.811 10 0 BCAERO CC[NH2+][C@@H](C(N)=O)[C@@H](C)n1cc(C)cn1 ZINC000710700859 539028138 /nfs/dbraw/zinc/02/81/38/539028138.db2.gz GVEREBJOPHSGFQ-RKDXNWHRSA-N 1 0 210.281 0.216 10 0 BCAERO CCc1nccn1[C@@H](C)[C@@H]([NH2+]C)C(N)=O ZINC000710717104 539028304 /nfs/dbraw/zinc/02/83/04/539028304.db2.gz GFIUQXFEVZQYEI-IONNQARKSA-N 1 0 210.281 0.080 10 0 BCAERO CC[C@H](O)CCCNC(=O)[C@@H](C)[NH2+]C ZINC000398605190 398297522 /nfs/dbraw/zinc/29/75/22/398297522.db2.gz MOPQRYMMVKLCIV-BDAKNGLRSA-N 1 0 202.298 0.262 10 0 BCAERO CC(C)[C@H]([NH3+])C(=O)N[C@@H]1CCC[C@H](O)C1 ZINC000037001004 398298248 /nfs/dbraw/zinc/29/82/48/398298248.db2.gz PUAXPBKHJVPPNI-UTLUCORTSA-N 1 0 214.309 0.389 10 0 BCAERO CC[NH+]1CCN([C@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000062948517 539017515 /nfs/dbraw/zinc/01/75/15/539017515.db2.gz KKOALWZCMUUWPV-RYUDHWBXSA-N 1 0 211.353 0.764 10 0 BCAERO C[C@@H](CC(N)=S)[N@@H+]1CCC[C@H](O)C1 ZINC000042468418 362003125 /nfs/dbraw/zinc/00/31/25/362003125.db2.gz LWPUGKHWCNFCOU-YUMQZZPRSA-N 1 0 202.323 0.508 10 0 BCAERO C[C@@H](C[N@@H+]1CCC[C@H](O)C1)C(N)=S ZINC000042468390 362003425 /nfs/dbraw/zinc/00/34/25/362003425.db2.gz HBZUNPVIILBFLD-YUMQZZPRSA-N 1 0 202.323 0.365 10 0 BCAERO CCN1CCO[C@@H](C[NH2+]Cc2c[nH]nc2C)C1 ZINC000134435989 342854206 /nfs/dbraw/zinc/85/42/06/342854206.db2.gz HQRWOKSPNXYFMJ-LBPRGKRZSA-N 1 0 238.335 0.528 10 0 BCAERO CC(C)(C)OC(=O)N1CCC[C@H](N)C1=O ZINC000013356707 342866501 /nfs/dbraw/zinc/86/65/01/342866501.db2.gz NQGHDCYUNMFGRR-ZETCQYMHSA-N 1 0 214.265 0.871 10 0 BCAERO CC1(C)C[C@@H](NC(=O)CC[NH3+])CCO1 ZINC000215600281 349632029 /nfs/dbraw/zinc/63/20/29/349632029.db2.gz OOSOIWQGAGWVJW-QMMMGPOBSA-N 1 0 200.282 0.409 10 0 BCAERO C[NH2+][C@@H]1CSC[C@H]1Cc1ncnn1C ZINC000134596586 342872770 /nfs/dbraw/zinc/87/27/70/342872770.db2.gz HNDDYQJBLHOTDQ-HTQZYQBOSA-N 1 0 212.322 0.309 10 0 BCAERO Cn1ccsc1=NC(=O)[C@@H]1CC[NH2+]C1 ZINC000308881537 342875403 /nfs/dbraw/zinc/87/54/03/342875403.db2.gz QHBQPCGQFDBWBV-SSDOTTSWSA-N 1 0 211.290 0.123 10 0 BCAERO C[C@@H](C(N)=S)[N@H+](C)[C@H]1CCO[C@H]1C ZINC000134697812 342877448 /nfs/dbraw/zinc/87/74/48/342877448.db2.gz NXBLUDFFCNBONQ-FXQIFTODSA-N 1 0 202.323 0.770 10 0 BCAERO C[C@@H]1CN(C(=O)/C=C\C[NH3+])C[C@H](C)S1 ZINC000308599102 342857477 /nfs/dbraw/zinc/85/74/77/342857477.db2.gz UDBTUJURSUZEFK-GPCGZLNTSA-N 1 0 214.334 0.854 10 0 BCAERO CCOC[C@H](C)[NH2+][C@@H]1CCCNC1=O ZINC000133034647 398309440 /nfs/dbraw/zinc/30/94/40/398309440.db2.gz NAXNUTFQSCNNJT-DTWKUNHWSA-N 1 0 200.282 0.280 10 0 BCAERO CC[C@@H]([NH3+])C(=O)Nc1cc(Cl)ncn1 ZINC000233882033 342894073 /nfs/dbraw/zinc/89/40/73/342894073.db2.gz ZISQNRRSRYVKPU-RXMQYKEDSA-N 1 0 214.656 0.806 10 0 BCAERO CCCCn1nnnc1CN1C[C@H]([NH3+])[C@@H](C)C1 ZINC000233066616 342894944 /nfs/dbraw/zinc/89/49/44/342894944.db2.gz SVHMWZZAECQXSS-UWVGGRQHSA-N 1 0 238.339 0.252 10 0 BCAERO [NH3+]CCN1CCc2ccccc2[C@H]1CO ZINC000309076269 342887679 /nfs/dbraw/zinc/88/76/79/342887679.db2.gz KTGIIWFAQBMSBB-GFCCVEGCSA-N 1 0 206.289 0.537 10 0 BCAERO CN(c1nc(C[NH3+])cs1)[C@H]1CCOC1 ZINC000134792339 342888918 /nfs/dbraw/zinc/88/89/18/342888918.db2.gz MSSIAZCCUSJAKJ-QMMMGPOBSA-N 1 0 213.306 0.827 10 0 BCAERO C[C@@H]1C[C@H]([N@H+](C)C(C)(C)CO)CN1C ZINC000134874328 342913624 /nfs/dbraw/zinc/91/36/24/342913624.db2.gz WKTCTSHLQMLGJD-ZJUUUORDSA-N 1 0 200.326 0.782 10 0 BCAERO COC[C@H](C)NC(=O)CC[NH2+]C1CC1 ZINC000037478083 488186338 /nfs/dbraw/zinc/18/63/38/488186338.db2.gz RHWGPAMZHMJAAP-QMMMGPOBSA-N 1 0 200.282 0.280 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N1CCO[C@H](CC)C1 ZINC000036873326 342913051 /nfs/dbraw/zinc/91/30/51/342913051.db2.gz QDZYTUBOKATQIL-ZJUUUORDSA-N 1 0 214.309 0.751 10 0 BCAERO CC(C)[NH2+]CC(=O)N[C@@H](C)[C@H]1CCCO1 ZINC000037477151 488186434 /nfs/dbraw/zinc/18/64/34/488186434.db2.gz NTGOGWMPYJSNKV-VHSXEESVSA-N 1 0 214.309 0.668 10 0 BCAERO CC[NH2+][C@H]1CCCN(S(C)(=O)=O)C1 ZINC000133334881 398324411 /nfs/dbraw/zinc/32/44/11/398324411.db2.gz CDGIWFHWCUMXMO-QMMMGPOBSA-N 1 0 206.311 0.020 10 0 BCAERO C[S@@](=O)N1CC[NH2+]C[C@H]1C(C)(C)C ZINC000407279100 342914268 /nfs/dbraw/zinc/91/42/68/342914268.db2.gz SVPAEOVTPDLGKM-ISVAXAHUSA-N 1 0 204.339 0.600 10 0 BCAERO CCS(=O)(=O)N1C[C@H]([NH+](C)C)[C@@H](C)C1 ZINC000229066977 398327648 /nfs/dbraw/zinc/32/76/48/398327648.db2.gz KGCSOCQCOLQIHX-IUCAKERBSA-N 1 0 220.338 0.218 10 0 BCAERO C[NH+](C)[C@@H]1CCN(C(=O)Nc2cccnn2)C1 ZINC000152045441 398327958 /nfs/dbraw/zinc/32/79/58/398327958.db2.gz FGAWBYLWVXXJLJ-SECBINFHSA-N 1 0 235.291 0.644 10 0 BCAERO O=C(C[NH2+]CC1CC1)N[C@@H]1CCC[C@H](O)C1 ZINC000037478450 398328359 /nfs/dbraw/zinc/32/83/59/398328359.db2.gz GIDFOASYNRGXPC-MNOVXSKESA-N 1 0 226.320 0.406 10 0 BCAERO CCC[C@](C)([NH3+])C(=O)N[C@H]1CCC[C@H](O)C1 ZINC000037481541 398328467 /nfs/dbraw/zinc/32/84/67/398328467.db2.gz SQIYRJCAGDSTMB-NHCYSSNCSA-N 1 0 228.336 0.924 10 0 BCAERO COC[C@H](C)CC(=O)N1C[C@H]([NH3+])[C@@H](C)C1 ZINC000234689610 342933563 /nfs/dbraw/zinc/93/35/63/342933563.db2.gz ICYKYLFXORRKJY-UTLUCORTSA-N 1 0 214.309 0.465 10 0 BCAERO C[C@H](C[N@@H+]1CCC[C@H](O)C1)C(N)=S ZINC000042468393 362003813 /nfs/dbraw/zinc/00/38/13/362003813.db2.gz HBZUNPVIILBFLD-SFYZADRCSA-N 1 0 202.323 0.365 10 0 BCAERO O=C(CC1CC[NH2+]CC1)N[C@@H]1CCC[C@H](O)C1 ZINC000038075171 398336035 /nfs/dbraw/zinc/33/60/35/398336035.db2.gz SQZQNQNCAYISSY-NEPJUHHUSA-N 1 0 240.347 0.796 10 0 BCAERO O=C(CC1CC[NH2+]CC1)N[C@H]1CCC[C@@H](O)C1 ZINC000038075168 398336059 /nfs/dbraw/zinc/33/60/59/398336059.db2.gz SQZQNQNCAYISSY-NWDGAFQWSA-N 1 0 240.347 0.796 10 0 BCAERO O=C(CC1CC[NH2+]CC1)N[C@H]1CCC[C@H](O)C1 ZINC000038075170 398336062 /nfs/dbraw/zinc/33/60/62/398336062.db2.gz SQZQNQNCAYISSY-RYUDHWBXSA-N 1 0 240.347 0.796 10 0 BCAERO CCC[C@H]([NH3+])C(=O)NCC[C@@H]1CCCO1 ZINC000038097055 398336071 /nfs/dbraw/zinc/33/60/71/398336071.db2.gz RILGRFDEBGFVBY-UWVGGRQHSA-N 1 0 214.309 0.799 10 0 BCAERO O=C(C[NH2+]CC1CC1)NCC[C@H]1CCCO1 ZINC000038097095 398336083 /nfs/dbraw/zinc/33/60/83/398336083.db2.gz PZSBXJHVNJIONV-LLVKDONJSA-N 1 0 226.320 0.671 10 0 BCAERO COc1c(O)ccc2c1NC(=[NH2+])N1CCN=C21 ZINC000116784061 342937933 /nfs/dbraw/zinc/93/79/33/342937933.db2.gz CHHRXHIPJQLXOV-UHFFFAOYSA-N 1 0 232.243 0.423 10 0 BCAERO COC[C@H](C)[NH2+]C[C@@H](O)COC(C)(C)C ZINC000037847452 398334935 /nfs/dbraw/zinc/33/49/35/398334935.db2.gz BVOQEYCKWOBIEN-VHSXEESVSA-N 1 0 219.325 0.787 10 0 BCAERO C[C@H]1C[NH2+]CC/C1=C\CS(C)(=O)=O ZINC000379345480 342956195 /nfs/dbraw/zinc/95/61/95/342956195.db2.gz CJJZOZVNWLYAMH-DHFUWRPHSA-N 1 0 203.307 0.587 10 0 BCAERO COC(=O)c1cnc(C2CC[NH2+]CC2)nc1 ZINC000113032807 346902698 /nfs/dbraw/zinc/90/26/98/346902698.db2.gz KXGWEQUXOOTDBB-UHFFFAOYSA-N 1 0 221.260 0.730 10 0 BCAERO CO[C@@]1(C[NH2+]C[C@@H](O)C(C)(C)C)CCOC1 ZINC000304196218 259334488 /nfs/dbraw/zinc/33/44/88/259334488.db2.gz BIQSNJUSHHNOPO-ZYHUDNBSSA-N 1 0 231.336 0.789 10 0 BCAERO CO[C@@]1(C[NH2+]C[C@H](O)C(C)(C)C)CCOC1 ZINC000304196209 259334497 /nfs/dbraw/zinc/33/44/97/259334497.db2.gz BIQSNJUSHHNOPO-CMPLNLGQSA-N 1 0 231.336 0.789 10 0 BCAERO CCc1cc(N2CCO[C@@H](CO)C2)cc[nH+]1 ZINC000307796971 529534715 /nfs/dbraw/zinc/53/47/15/529534715.db2.gz XVDDBMAEICYCNY-GFCCVEGCSA-N 1 0 222.288 0.842 10 0 BCAERO C[C@@H]([NH2+][C@@H]1CCS(=O)(=O)C1)C1CC1 ZINC000019899981 342962086 /nfs/dbraw/zinc/96/20/86/342962086.db2.gz HOLURNWCNDNLEP-VXNVDRBHSA-N 1 0 203.307 0.562 10 0 BCAERO Cc1ccc(CNC(=O)C2CC[NH2+]CC2)n1C ZINC000020284225 342980327 /nfs/dbraw/zinc/98/03/27/342980327.db2.gz BHPKPPOCNZJNSN-UHFFFAOYSA-N 1 0 235.331 0.949 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@H]1CCSC1 ZINC000235302042 343009428 /nfs/dbraw/zinc/00/94/28/343009428.db2.gz FKMOELDPYHHCLY-HRDYMLBCSA-N 1 0 214.334 0.464 10 0 BCAERO C[C@H](C[S@](C)=O)[NH2+]C[C@@H](O)C(C)(C)C ZINC000308560943 259340260 /nfs/dbraw/zinc/34/02/60/259340260.db2.gz VZLHRBLUQMOFFY-NUPCCRGMSA-N 1 0 221.366 0.750 10 0 BCAERO CN1CC[C@H]([NH2+]C[C@H](O)C(C)(C)C)C1=O ZINC000308797075 259340658 /nfs/dbraw/zinc/34/06/58/259340658.db2.gz KUCBFCGSQVWLGY-IUCAKERBSA-N 1 0 214.309 0.214 10 0 BCAERO Cc1nn(C)cc1C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000235378595 343011425 /nfs/dbraw/zinc/01/14/25/343011425.db2.gz GYBRQNQCJOGYIZ-GMSGAONNSA-N 1 0 222.292 0.148 10 0 BCAERO C[C@H](Cn1ccnc1)NC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000235494112 343039995 /nfs/dbraw/zinc/03/99/95/343039995.db2.gz OTHGKFKMUMBGGH-GMTAPVOTSA-N 1 0 236.319 0.243 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@H]1CCCOCC1 ZINC000309556820 259343539 /nfs/dbraw/zinc/34/35/39/259343539.db2.gz MVWWVCDEAUGAFO-OUAUKWLOSA-N 1 0 226.320 0.527 10 0 BCAERO CC(C)(C)[C@@H](C[NH3+])N1CCC(O)CC1 ZINC000043291485 343040079 /nfs/dbraw/zinc/04/00/79/343040079.db2.gz AWDCWVYJAPAGIO-SNVBAGLBSA-N 1 0 200.326 0.817 10 0 BCAERO C[C@H](CNC(=O)[C@@H]1CC[NH2+]C1)c1nccs1 ZINC000235483476 343039497 /nfs/dbraw/zinc/03/94/97/343039497.db2.gz CLXNEUNHBVBXHZ-RKDXNWHRSA-N 1 0 239.344 0.972 10 0 BCAERO CO[C@H]1C[C@@H](CO)[N@H+](Cc2ccc(CO)o2)C1 ZINC000562850478 323032030 /nfs/dbraw/zinc/03/20/30/323032030.db2.gz NSSGEVJXFSHANS-CABZTGNLSA-N 1 0 241.287 0.354 10 0 BCAERO COC[C@H](O)CC[NH2+]C[C@@H](O)C(C)(C)C ZINC000308809178 346921859 /nfs/dbraw/zinc/92/18/59/346921859.db2.gz PQEZMHOULHAJRR-NXEZZACHSA-N 1 0 219.325 0.380 10 0 BCAERO Cc1cnn(CCNC(=O)[C@@H]2CC[C@@H]([NH3+])C2)c1 ZINC000235940059 343067381 /nfs/dbraw/zinc/06/73/81/343067381.db2.gz CSJRPCMFSZDWDV-GHMZBOCLSA-N 1 0 236.319 0.435 10 0 BCAERO c1c2c(nnc1N1CCCOCC1)CC[NH2+]C2 ZINC000584879996 343080455 /nfs/dbraw/zinc/08/04/55/343080455.db2.gz INZABVVKIMZNRV-UHFFFAOYSA-N 1 0 234.303 0.349 10 0 BCAERO CCOC(=O)c1cnn2c1[C@H](C[NH3+])CCC2 ZINC000584880571 343081295 /nfs/dbraw/zinc/08/12/95/343081295.db2.gz HNLWLZKDOKQMCI-QMMMGPOBSA-N 1 0 223.276 0.896 10 0 BCAERO CC(C)[S@](=O)N1CC[C@@H](C)[C@H]([NH3+])C1 ZINC000306663848 362020679 /nfs/dbraw/zinc/02/06/79/362020679.db2.gz RGJACWFUHOARCO-KKFJDGPESA-N 1 0 204.339 0.728 10 0 BCAERO O=C(Nc1nccc(Cl)n1)[C@@H]1CC[NH2+]1 ZINC000306665557 362021920 /nfs/dbraw/zinc/02/19/20/362021920.db2.gz UDDBJVOCEBYVOI-YFKPBYRVSA-N 1 0 212.640 0.430 10 0 BCAERO C[C@H]1[NH2+]CCC[C@H]1C(=O)c1ncnn1C ZINC000306668948 362027618 /nfs/dbraw/zinc/02/76/18/362027618.db2.gz GIONWXHHWAMBJH-HTQZYQBOSA-N 1 0 208.265 0.386 10 0 BCAERO CC(C)[NH2+]C[C@H](O)C[C@](C)(O)C(F)F ZINC000584883453 343086287 /nfs/dbraw/zinc/08/62/87/343086287.db2.gz OAIKMLMJESAXEU-APPZFPTMSA-N 1 0 211.252 0.752 10 0 BCAERO CC(C)[NH2+]C[C@H](O)C[C@@](C)(O)C(F)F ZINC000584883456 343086318 /nfs/dbraw/zinc/08/63/18/343086318.db2.gz OAIKMLMJESAXEU-VXNVDRBHSA-N 1 0 211.252 0.752 10 0 BCAERO CC(C)[NH2+]C[C@@H](O)C[C@](C)(O)C(F)F ZINC000584883454 343086344 /nfs/dbraw/zinc/08/63/44/343086344.db2.gz OAIKMLMJESAXEU-CBAPKCEASA-N 1 0 211.252 0.752 10 0 BCAERO CO[C@@H]1CCCN(C(=O)[C@@]2(C)CCC[NH2+]2)C1 ZINC000119634403 343089171 /nfs/dbraw/zinc/08/91/71/343089171.db2.gz WUEULTCCKLXXFK-ZYHUDNBSSA-N 1 0 226.320 0.766 10 0 BCAERO CO[C@@H]1CCC[C@@H](OC[C@H]2C[NH2+]CCO2)C1 ZINC000250440324 343077112 /nfs/dbraw/zinc/07/71/12/343077112.db2.gz AGFPYZZBBMOBMQ-IJLUTSLNSA-N 1 0 229.320 0.949 10 0 BCAERO O=C(C[C@H]1CCC[NH2+]C1)NCCOCC1CC1 ZINC000236401772 343097582 /nfs/dbraw/zinc/09/75/82/343097582.db2.gz RTTZAKOSEASGGH-GFCCVEGCSA-N 1 0 240.347 0.919 10 0 BCAERO Cn1c(N)nnc1SC1CC[NH2+]CC1 ZINC000043501316 343098551 /nfs/dbraw/zinc/09/85/51/343098551.db2.gz ORWBYAWDGHZMPT-UHFFFAOYSA-N 1 0 213.310 0.241 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)NCCc1cscn1 ZINC000082626739 362071264 /nfs/dbraw/zinc/07/12/64/362071264.db2.gz KVIBLOIEXYXYGD-PSASIEDQSA-N 1 0 239.344 0.657 10 0 BCAERO [NH3+]Cc1cc(CN2CCOCC2)ccn1 ZINC000082668297 362097716 /nfs/dbraw/zinc/09/77/16/362097716.db2.gz HTZXESINMMGPNB-UHFFFAOYSA-N 1 0 207.277 0.373 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N1CCC[C@H](C(=O)OC)C1 ZINC000236804531 343113208 /nfs/dbraw/zinc/11/32/08/343113208.db2.gz XZEKTEWTKQKXBK-UWVGGRQHSA-N 1 0 242.319 0.525 10 0 BCAERO C[C@@H](C(N)=S)[NH+]1CCC(CO)CC1 ZINC000043513979 343115473 /nfs/dbraw/zinc/11/54/73/343115473.db2.gz JIKPUONYAMVXJV-ZETCQYMHSA-N 1 0 202.323 0.365 10 0 BCAERO C[C@@H](C(N)=S)[N@@H+]1CCC[C@H](CO)C1 ZINC000043514115 343115793 /nfs/dbraw/zinc/11/57/93/343115793.db2.gz CGJJENJZKHMGKK-YUMQZZPRSA-N 1 0 202.323 0.365 10 0 BCAERO CC[C@H](O)CCNC(=O)[C@@]1(C)CCC[NH2+]1 ZINC000120411567 343122907 /nfs/dbraw/zinc/12/29/07/343122907.db2.gz SGUYBTCOQFNHCE-GXSJLCMTSA-N 1 0 214.309 0.406 10 0 BCAERO Cc1c(CNC2CC([NH+](C)C)C2)cnn1C ZINC000576885227 365714632 /nfs/dbraw/zinc/71/46/32/365714632.db2.gz AZWCSRMUVMYQOW-UHFFFAOYSA-N 1 0 222.336 0.911 10 0 BCAERO CC[C@H](C(N)=S)[N@@H+]1CCC[C@H](O)C1 ZINC000043540215 343132574 /nfs/dbraw/zinc/13/25/74/343132574.db2.gz LRUPCNKIGNJZCV-JGVFFNPUSA-N 1 0 202.323 0.508 10 0 BCAERO CC(C)CN(C)C(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000131210654 343183230 /nfs/dbraw/zinc/18/32/30/343183230.db2.gz DQWFCQWLHWOOLJ-UHFFFAOYSA-N 1 0 241.379 0.785 10 0 BCAERO [NH3+]C[C@H]1CCCN1c1ccc2nccnc2n1 ZINC000094727030 343157160 /nfs/dbraw/zinc/15/71/60/343157160.db2.gz WUGNCMJGLAHEJY-SECBINFHSA-N 1 0 229.287 0.952 10 0 BCAERO CN(c1ccc2nccnc2n1)[C@H]1CC[NH2+]C1 ZINC000094726398 343157240 /nfs/dbraw/zinc/15/72/40/343157240.db2.gz YCIZGOQMFLVEML-VIFPVBQESA-N 1 0 229.287 0.823 10 0 BCAERO [NH3+]C[C@H]1CCCN1C(=O)CCc1cccnc1 ZINC000122319206 343158784 /nfs/dbraw/zinc/15/87/84/343158784.db2.gz PSCFFFDGXYDGDC-GFCCVEGCSA-N 1 0 233.315 0.964 10 0 BCAERO CCCCn1nnnc1CN1CCC[C@H]1C[NH3+] ZINC000123416652 343162301 /nfs/dbraw/zinc/16/23/01/343162301.db2.gz JEROESDIDVPHMM-JTQLQIEISA-N 1 0 238.339 0.396 10 0 BCAERO CC[C@H](C)[N@H+](CCO)C[C@H]1CNC(=O)O1 ZINC000379919587 365735254 /nfs/dbraw/zinc/73/52/54/365735254.db2.gz RCKPCICTXCDVKI-DTWKUNHWSA-N 1 0 216.281 0.188 10 0 BCAERO COC(=O)c1ccc(N(C)CCC[NH3+])nc1C ZINC000124455874 343167939 /nfs/dbraw/zinc/16/79/39/343167939.db2.gz NDYZMUVIHJAHQO-UHFFFAOYSA-N 1 0 237.303 0.962 10 0 BCAERO Cn1ncnc1NC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000127266960 343172617 /nfs/dbraw/zinc/17/26/17/343172617.db2.gz HOQZTLRUNGJMCH-QMMMGPOBSA-N 1 0 223.280 0.143 10 0 BCAERO CO[C@H]1C[NH2+][C@@H](C(=O)NC2CCSCC2)C1 ZINC000159134012 343201967 /nfs/dbraw/zinc/20/19/67/343201967.db2.gz DDBGWDDCALGYLR-NXEZZACHSA-N 1 0 244.360 0.375 10 0 BCAERO CCC(CC)CNC(=O)[C@H]1C[C@@H](OC)C[NH2+]1 ZINC000159128486 343202037 /nfs/dbraw/zinc/20/20/37/343202037.db2.gz HQTLZZSGSTYWIN-GHMZBOCLSA-N 1 0 228.336 0.916 10 0 BCAERO CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C)OC)C1 ZINC000168620645 259357097 /nfs/dbraw/zinc/35/70/97/259357097.db2.gz CGZFAGTWAXMQPC-NXEZZACHSA-N 1 0 214.309 0.622 10 0 BCAERO C[NH2+][C@H](C)C(=O)N1CCS[C@@H](C)[C@H]1C ZINC000132387354 343188296 /nfs/dbraw/zinc/18/82/96/343188296.db2.gz UPRYNAWHBWBVBK-HLTSFMKQSA-N 1 0 216.350 0.947 10 0 BCAERO CN(CCC[NH3+])c1ncc(Cl)cn1 ZINC000133570256 343191097 /nfs/dbraw/zinc/19/10/97/343191097.db2.gz HWLMUVAALZZWJZ-UHFFFAOYSA-N 1 0 200.673 0.915 10 0 BCAERO CCOC(=O)c1cnc(NCC[NH3+])nc1C ZINC000134296895 343194503 /nfs/dbraw/zinc/19/45/03/343194503.db2.gz BCTDLSDQALVJIE-UHFFFAOYSA-N 1 0 224.264 0.332 10 0 BCAERO O=C(NC[C@@H]1CC[NH2+]C1)c1cccnc1 ZINC000087654615 136282127 /nfs/dbraw/zinc/28/21/27/136282127.db2.gz GXMDYOTWYGJFEG-SECBINFHSA-N 1 0 205.261 0.421 10 0 BCAERO O=C(Cc1ccccc1)NC[C@H]1CC[NH2+]C1 ZINC000087654646 136282142 /nfs/dbraw/zinc/28/21/42/136282142.db2.gz IAWCGMGYTGELIG-LBPRGKRZSA-N 1 0 218.300 0.955 10 0 BCAERO CC1(C)C[C@H]([NH2+][C@@H]2CCOC[C@@H]2O)CCO1 ZINC000634686245 343233179 /nfs/dbraw/zinc/23/31/79/343233179.db2.gz GNVVSWGMNDLNNL-MXWKQRLJSA-N 1 0 229.320 0.683 10 0 BCAERO CCN(C)C(=O)CC[NH2+][C@@H](C)COC ZINC000308575192 488208258 /nfs/dbraw/zinc/20/82/58/488208258.db2.gz DEBLRZAJUSQCTK-VIFPVBQESA-N 1 0 202.298 0.479 10 0 BCAERO CCC1(C)CCN(C(=O)[C@H]([NH3+])COC)CC1 ZINC000088004247 136283426 /nfs/dbraw/zinc/28/34/26/136283426.db2.gz KFDOETMZCAFAJO-SNVBAGLBSA-N 1 0 228.336 0.999 10 0 BCAERO COC[C@H]([NH3+])C(=O)NCC1CCC(C)CC1 ZINC000088004276 136283563 /nfs/dbraw/zinc/28/35/63/136283563.db2.gz GUQJJVQBOMMELM-ILDUYXDCSA-N 1 0 228.336 0.903 10 0 BCAERO C[C@@H]1CC[C@H](CN2CCO[C@@H]3C[NH2+]C[C@@H]32)O1 ZINC000634687853 343244735 /nfs/dbraw/zinc/24/47/35/343244735.db2.gz BCWFPLTWINOFGW-WISYIIOYSA-N 1 0 226.320 0.227 10 0 BCAERO CO[C@@H]1CN(C[C@@H]2CC[C@@H](C)O2)[C@](C)(C[NH3+])C1 ZINC000634688463 343247472 /nfs/dbraw/zinc/24/74/72/343247472.db2.gz TVNBTLUWCQSGKE-VOAKCMCISA-N 1 0 242.363 0.992 10 0 BCAERO C[NH+](C)CC[C@]1(C(N)=O)Cc2ccccc21 ZINC000238314631 343255365 /nfs/dbraw/zinc/25/53/65/343255365.db2.gz UCQNYOCLMPZSRR-ZDUSSCGKSA-N 1 0 218.300 0.918 10 0 BCAERO CC[C@H](NC(=O)C[C@H]1CCC[NH2+]C1)C(=O)OC ZINC000310087705 343262882 /nfs/dbraw/zinc/26/28/82/343262882.db2.gz BQWPDDBKTSIBIA-ZJUUUORDSA-N 1 0 242.319 0.444 10 0 BCAERO [NH3+][C@@H]1CCN(Cc2ccccc2)C[C@H]1O ZINC000034122523 343265198 /nfs/dbraw/zinc/26/51/98/343265198.db2.gz FSWGELBQIPNBFM-VXGBXAGGSA-N 1 0 206.289 0.581 10 0 BCAERO CC1(C)C[C@@H]1CNC(=O)C1(C[NH3+])CCOCC1 ZINC000232872911 136292602 /nfs/dbraw/zinc/29/26/02/136292602.db2.gz MHMRCVLYSNWNEY-SNVBAGLBSA-N 1 0 240.347 0.904 10 0 BCAERO Nc1cc[nH+]cc1C(=O)Nc1cn[nH]c1 ZINC000088112233 136285675 /nfs/dbraw/zinc/28/56/75/136285675.db2.gz JUDCJOAKDBTDFJ-UHFFFAOYSA-N 1 0 203.205 0.639 10 0 BCAERO C[C@@H]1CC[N@H+](CC2(O)CCC2)C[C@H]1CO ZINC000621366206 343279492 /nfs/dbraw/zinc/27/94/92/343279492.db2.gz HLKBYNLCNRHFFS-MNOVXSKESA-N 1 0 213.321 0.852 10 0 BCAERO CC(C)(C)OC(=O)N1CC[NH2+]C[C@H](CO)C1 ZINC000035270232 343291514 /nfs/dbraw/zinc/29/15/14/343291514.db2.gz RZCWERACOAHBGR-VIFPVBQESA-N 1 0 230.308 0.435 10 0 BCAERO O=S(=O)(C1CCCC1)[C@@H]1CC[NH2+]C1 ZINC000220010670 343362423 /nfs/dbraw/zinc/36/24/23/343362423.db2.gz NECWSJCOWCYARB-SECBINFHSA-N 1 0 203.307 0.706 10 0 BCAERO C[C@]1(c2nccs2)OC[C@@H](C[NH3+])O1 ZINC000134993896 343366116 /nfs/dbraw/zinc/36/61/16/343366116.db2.gz KZKCBPYOTOACCW-SVRRBLITSA-N 1 0 200.263 0.690 10 0 BCAERO CC[C@H](COC)[NH2+][C@@H]1CCCNC1=O ZINC000070624366 343335928 /nfs/dbraw/zinc/33/59/28/343335928.db2.gz WXNQPJCWDFXGDQ-RKDXNWHRSA-N 1 0 200.282 0.280 10 0 BCAERO CC(C)[N@@H+]1CCO[C@H](Cn2cccn2)C1 ZINC000070941860 343339195 /nfs/dbraw/zinc/33/91/95/343339195.db2.gz ZKNDTWJXYGGGQC-NSHDSACASA-N 1 0 209.293 0.992 10 0 BCAERO c1nn2ccccc2c1CN[C@@H]1CC[NH2+]C1 ZINC000335643252 136303498 /nfs/dbraw/zinc/30/34/98/136303498.db2.gz NVLDXHLNTXANHC-LLVKDONJSA-N 1 0 216.288 0.786 10 0 BCAERO Cc1nc(C)c(Cn2cc(C[NH3+])nn2)s1 ZINC000641067590 362178342 /nfs/dbraw/zinc/17/83/42/362178342.db2.gz ZJMQJDBGBSYOFV-UHFFFAOYSA-N 1 0 223.305 0.858 10 0 BCAERO C[C@H]1CCN(C(=O)C2([NH3+])CCOCC2)C[C@H]1C ZINC000166227051 136314240 /nfs/dbraw/zinc/31/42/40/136314240.db2.gz JGCSSUOJYVIMMO-WDEREUQCSA-N 1 0 240.347 0.999 10 0 BCAERO COc1c(O)cc([C@H](O)[C@@H](C)[NH3+])cc1O ZINC000039097355 343382419 /nfs/dbraw/zinc/38/24/19/343382419.db2.gz RSVRLCOQETUJCH-MLUIRONXSA-N 1 0 213.233 0.487 10 0 BCAERO CCC[C@](C)([NH3+])C(=O)N[C@H]1CCC[C@@H](O)C1 ZINC000224954716 488218868 /nfs/dbraw/zinc/21/88/68/488218868.db2.gz SQIYRJCAGDSTMB-UMNHJUIQSA-N 1 0 228.336 0.924 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N(CC)CCOCC ZINC000082538353 343449273 /nfs/dbraw/zinc/44/92/73/343449273.db2.gz LSLBMCXKDUBWNX-JTQLQIEISA-N 1 0 216.325 0.999 10 0 BCAERO CO[C@H](C)[C@@H](C)[NH2+]C[C@H](C)N1CCOCC1 ZINC000166545632 136358827 /nfs/dbraw/zinc/35/88/27/136358827.db2.gz CDMQGNYPZAMOIM-QJPTWQEYSA-N 1 0 230.352 0.720 10 0 BCAERO COC(=O)[C@@H]1CCC[N@H+](C[C@H](O)CSC)C1 ZINC000187808474 259362909 /nfs/dbraw/zinc/36/29/09/259362909.db2.gz VTYFTHDMKZEESS-ZJUUUORDSA-N 1 0 247.360 0.595 10 0 BCAERO C[C@@H]([NH3+])CCNC(=O)C[C@@H]1CCCO1 ZINC000083524513 343488120 /nfs/dbraw/zinc/48/81/20/343488120.db2.gz GCMACZDGMGZRAK-BDAKNGLRSA-N 1 0 200.282 0.409 10 0 BCAERO [NH3+]C[C@H]1CCCN1C(=O)C[C@@H]1CCCO1 ZINC000083525656 343488723 /nfs/dbraw/zinc/48/87/23/343488723.db2.gz FTJMOLZHCPMTLR-ZJUUUORDSA-N 1 0 212.293 0.505 10 0 BCAERO CS(=O)(=O)c1ccc(C[NH3+])cc1F ZINC000158992264 346943172 /nfs/dbraw/zinc/94/31/72/346943172.db2.gz FTHCIZDKPSSMHS-UHFFFAOYSA-N 1 0 203.238 0.688 10 0 BCAERO COC(=O)CCCN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000082718808 343460996 /nfs/dbraw/zinc/46/09/96/343460996.db2.gz HUOGBKLQKMFDQB-LLVKDONJSA-N 1 0 226.320 0.720 10 0 BCAERO OCCN1CCCOC[C@H]1c1cnoc1 ZINC000616644385 343530542 /nfs/dbraw/zinc/53/05/42/343530542.db2.gz CKOVUCRAVOWTOT-JTQLQIEISA-N 1 0 212.249 0.430 10 0 BCAERO [NH3+]C1(C(=O)NC[C@@H]2CCCC[C@@H]2O)CCCC1 ZINC000085986920 488222283 /nfs/dbraw/zinc/22/22/83/488222283.db2.gz WLRZTXCEMVDFIU-QWRGUYRKSA-N 1 0 240.347 0.925 10 0 BCAERO [NH3+][C@@H](CO)Cc1ccc(Br)o1 ZINC000044464435 343501877 /nfs/dbraw/zinc/50/18/77/343501877.db2.gz AEZPVFIUAPNDKN-RXMQYKEDSA-N 1 0 220.066 0.904 10 0 BCAERO COC[C@@H](CCO)[NH2+]C[C@H](O)C(C)(C)C ZINC000379977517 365773358 /nfs/dbraw/zinc/77/33/58/365773358.db2.gz RBBFKVDKAIGZKE-ZJUUUORDSA-N 1 0 219.325 0.380 10 0 BCAERO C[NH2+][C@H](C)C(=O)NCc1c(C)noc1C ZINC000086110110 343612181 /nfs/dbraw/zinc/61/21/81/343612181.db2.gz LAUBOEFEGIMIBN-SSDOTTSWSA-N 1 0 211.265 0.516 10 0 BCAERO Cn1nc(C(C)(C)C)nc1CC1C[NH2+]C1 ZINC000081767854 537789735 /nfs/dbraw/zinc/78/97/35/537789735.db2.gz NJGQHXYWEKQOLP-UHFFFAOYSA-N 1 0 208.309 0.875 10 0 BCAERO CCOC(=O)CN(C)C[C@@H]1CCC[N@@H+]1CC ZINC000086189095 343613683 /nfs/dbraw/zinc/61/36/83/343613683.db2.gz KJPKWJUGBWDMAC-NSHDSACASA-N 1 0 228.336 0.966 10 0 BCAERO COC(=O)CCN1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000379800918 343629190 /nfs/dbraw/zinc/62/91/90/343629190.db2.gz MEHMSFDINSWKKK-NXEZZACHSA-N 1 0 212.293 0.233 10 0 BCAERO COC(OC)[C@H]1CC[NH+]=C2N[C@@H](C)CN21 ZINC000300014618 537801436 /nfs/dbraw/zinc/80/14/36/537801436.db2.gz AZXNRDUCHMIHLF-JGVFFNPUSA-N 1 0 213.281 0.027 10 0 BCAERO O=C(NCC1CCOCC1)[C@@H]1CC[NH2+]C1 ZINC000082545494 133502276 /nfs/dbraw/zinc/50/22/76/133502276.db2.gz MINNACBTGJVGMR-SNVBAGLBSA-N 1 0 212.293 0.139 10 0 BCAERO COC[C@@H]([NH3+])C(=O)NCc1nc(C)cs1 ZINC000088003421 343690199 /nfs/dbraw/zinc/69/01/99/343690199.db2.gz RBWIAYRQJFMWSQ-SSDOTTSWSA-N 1 0 229.305 0.041 10 0 BCAERO COC[C@@H]([NH3+])C(=O)Nc1cccnc1C ZINC000088004906 343687831 /nfs/dbraw/zinc/68/78/31/343687831.db2.gz GSEKPBHYDBETDP-MRVPVSSYSA-N 1 0 209.249 0.302 10 0 BCAERO COC[C@@H]([NH3+])C(=O)Nc1ccc(F)cn1 ZINC000088004761 343687848 /nfs/dbraw/zinc/68/78/48/343687848.db2.gz HIUSICJZXIORND-SSDOTTSWSA-N 1 0 213.212 0.133 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N1CCC[C@@H]1C(C)C ZINC000088004805 343687852 /nfs/dbraw/zinc/68/78/52/343687852.db2.gz RVHHYBXWUAEUJN-NXEZZACHSA-N 1 0 214.309 0.607 10 0 BCAERO COC[C@H]([NH3+])C(=O)N1CCCC(C)(C)C1 ZINC000088004492 343688007 /nfs/dbraw/zinc/68/80/07/343688007.db2.gz XFQSYSQQRQOSIE-VIFPVBQESA-N 1 0 214.309 0.609 10 0 BCAERO CC[C@@H]1CCCN(C(=O)[C@@H]([NH3+])COC)C1 ZINC000088002982 343689385 /nfs/dbraw/zinc/68/93/85/343689385.db2.gz UYUPUGDLCYRYGU-ZJUUUORDSA-N 1 0 214.309 0.609 10 0 BCAERO CCCN(CC1CC1)C(=O)[C@H]([NH3+])COC ZINC000088002994 343689458 /nfs/dbraw/zinc/68/94/58/343689458.db2.gz XLZXZSWGLLTGHA-SNVBAGLBSA-N 1 0 214.309 0.609 10 0 BCAERO CC[C@@H]1CCCCN1C(=O)[C@H]([NH3+])COC ZINC000088002633 343689491 /nfs/dbraw/zinc/68/94/91/343689491.db2.gz VGKZURYEZXMBGB-NXEZZACHSA-N 1 0 214.309 0.751 10 0 BCAERO CN1CCN(c2nccs2)[C@@H](C[NH3+])C1 ZINC000226622218 343721689 /nfs/dbraw/zinc/72/16/89/343721689.db2.gz WHGKRFMGFXWMLI-QMMMGPOBSA-N 1 0 212.322 0.222 10 0 BCAERO C[C@@H](CO)NC(=O)[C@]1(C)CCC[C@H]1[NH3+] ZINC000227288391 343724026 /nfs/dbraw/zinc/72/40/26/343724026.db2.gz JPNVGIMDGZGNSX-QXFUBDJGSA-N 1 0 200.282 0.001 10 0 BCAERO CCOC(=O)[C@H](C)CNC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000262627210 349859387 /nfs/dbraw/zinc/85/93/87/349859387.db2.gz JCAUBYAYLVVHBL-UTLUCORTSA-N 1 0 242.319 0.429 10 0 BCAERO C[C@@H]([NH3+])CC(=O)N[C@]1(C)CCCOC1 ZINC000235155921 343755062 /nfs/dbraw/zinc/75/50/62/343755062.db2.gz DLOCGRIHELFMKX-PSASIEDQSA-N 1 0 200.282 0.409 10 0 BCAERO C[C@H]([NH2+][C@@H]1CCC[C@H]2C[C@H]21)C(=O)NC(N)=O ZINC000393201297 343758974 /nfs/dbraw/zinc/75/89/74/343758974.db2.gz ZABGVGDWWNDDHG-RBXMUDONSA-N 1 0 225.292 0.348 10 0 BCAERO Cc1c(Br)c(C[NH3+])nn1C ZINC000082639426 537813594 /nfs/dbraw/zinc/81/35/94/537813594.db2.gz PPPICJAJQZBCSC-UHFFFAOYSA-N 1 0 204.071 0.950 10 0 BCAERO NS(=O)(=O)c1ccc(C2([NH3+])CC2)cc1 ZINC000215195184 349863100 /nfs/dbraw/zinc/86/31/00/349863100.db2.gz WJLJKKGWSWCJDN-UHFFFAOYSA-N 1 0 212.274 0.282 10 0 BCAERO CC(C)(C)C(=[NH2+])N[C@@H]1CCS(=O)(=O)C1 ZINC000062988979 349869119 /nfs/dbraw/zinc/86/91/19/349869119.db2.gz GLNCUQLIWMLQAT-SSDOTTSWSA-N 1 0 218.322 0.786 10 0 BCAERO C[C@@H](O)C1CC[NH+](CC(N)=S)CC1 ZINC000235240577 343879612 /nfs/dbraw/zinc/87/96/12/343879612.db2.gz BVEAIBNOXOKCSB-SSDOTTSWSA-N 1 0 202.323 0.365 10 0 BCAERO CN[C@H](C(N)=O)c1cc(F)c(F)cc1F ZINC000234468988 343971932 /nfs/dbraw/zinc/97/19/32/343971932.db2.gz TXIFAWNMZIOGEP-QMMMGPOBSA-N 1 0 218.178 0.850 10 0 BCAERO C[NH2+][C@@H](C)C(=O)N[C@@]1(C)CCO[C@@H]1C ZINC000234379021 343956915 /nfs/dbraw/zinc/95/69/15/343956915.db2.gz DOQRVFYEFWNJJE-XKSSXDPKSA-N 1 0 200.282 0.278 10 0 BCAERO [NH3+]Cc1cn(C[C@H](O)CCc2ccccc2)nn1 ZINC000641216569 362279388 /nfs/dbraw/zinc/27/93/88/362279388.db2.gz BOADCYXXQUTEGZ-CYBMUJFWSA-N 1 0 246.314 0.731 10 0 BCAERO CC[C@H](C)C[N@H+]1C[C@H](C(N)=O)O[C@@H](C)C1 ZINC000625738915 344054018 /nfs/dbraw/zinc/05/40/18/344054018.db2.gz FNAQTFNCCZQKAX-LPEHRKFASA-N 1 0 214.309 0.607 10 0 BCAERO O=C(Nc1cn[nH]c1)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634742297 344163428 /nfs/dbraw/zinc/16/34/28/344163428.db2.gz HRZYDBGRSKGMCW-KWQFWETISA-N 1 0 220.276 0.738 10 0 BCAERO C[C@H]1CN(C(=O)[C@]23CCC[C@H]2C[NH2+]C3)CCO1 ZINC000634736674 344127449 /nfs/dbraw/zinc/12/74/49/344127449.db2.gz VQLZQQWJWBOCJZ-GVXVVHGQSA-N 1 0 238.331 0.623 10 0 BCAERO CC(C)(O)C[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000082995157 362359942 /nfs/dbraw/zinc/35/99/42/362359942.db2.gz VGASMOHLMMBQLD-ZJUUUORDSA-N 1 0 201.310 0.898 10 0 BCAERO Cn1nccc1NC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634737485 344135992 /nfs/dbraw/zinc/13/59/92/344135992.db2.gz SHBOTXYJAJOYFC-CABZTGNLSA-N 1 0 234.303 0.748 10 0 BCAERO C=CC(=O)Nc1ccc([C@@H](O)[C@H]([NH3+])CO)cc1 ZINC000616571019 344177877 /nfs/dbraw/zinc/17/78/77/344177877.db2.gz DKZHZOSGQIKKDW-ZYHUDNBSSA-N 1 0 236.271 0.164 10 0 BCAERO O=C(N1CCCOCC1)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634743147 344161302 /nfs/dbraw/zinc/16/13/02/344161302.db2.gz KSBPWSPZPNJMPK-AAEUAGOBSA-N 1 0 238.331 0.625 10 0 BCAERO O=C(N[C@H]1CCSC1)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634754779 344210502 /nfs/dbraw/zinc/21/05/02/344210502.db2.gz KRHLYVNEZKTFEO-NHCYSSNCSA-N 1 0 240.372 0.998 10 0 BCAERO C[NH2+][C@H](C)C(=O)NCc1c(C)nn(C)c1C ZINC000086109900 344211770 /nfs/dbraw/zinc/21/17/70/344211770.db2.gz PJYDSVNOJUPCIV-MRVPVSSYSA-N 1 0 224.308 0.261 10 0 BCAERO Cn1nncc1C[NH2+]C[C@H]1CCC[C@H]1O ZINC000129786923 344215711 /nfs/dbraw/zinc/21/57/11/344215711.db2.gz RZXBUUQYKKELMN-PSASIEDQSA-N 1 0 210.281 0.066 10 0 BCAERO CCOC(=O)CC(=O)N1CC[C@@H](C)[C@H]([NH3+])C1 ZINC000616571295 344179980 /nfs/dbraw/zinc/17/99/80/344179980.db2.gz WQOKIOSKKCXJID-RKDXNWHRSA-N 1 0 228.292 0.135 10 0 BCAERO COCC[C@H](C)NC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634748759 344185188 /nfs/dbraw/zinc/18/51/88/344185188.db2.gz PRKMQDCEYAWSIH-GVXVVHGQSA-N 1 0 240.347 0.917 10 0 BCAERO COC(=O)C1CCC2(CC1)CC(=O)NCC[NH2+]2 ZINC000616574592 344188420 /nfs/dbraw/zinc/18/84/20/344188420.db2.gz TZEPJYIYHKNSNH-UHFFFAOYSA-N 1 0 240.303 0.198 10 0 BCAERO CC1(CNC(=O)[C@]23CCC[C@H]2C[NH2+]C3)COC1 ZINC000634751241 344202136 /nfs/dbraw/zinc/20/21/36/344202136.db2.gz NEHVOVDXRCGTBS-GWCFXTLKSA-N 1 0 238.331 0.529 10 0 BCAERO CC1(C)CN(CC(=O)N2CCCC2)CC[C@H]1[NH3+] ZINC000310158505 344247492 /nfs/dbraw/zinc/24/74/92/344247492.db2.gz LBTZDYLUXDVQKL-LLVKDONJSA-N 1 0 239.363 0.668 10 0 BCAERO C[C@H]([NH3+])Cn1cncc(Br)c1=O ZINC000222864739 344272404 /nfs/dbraw/zinc/27/24/04/344272404.db2.gz BTYLWFHBPHZAFI-YFKPBYRVSA-N 1 0 232.081 0.353 10 0 BCAERO CN(Cc1cc[nH]n1)C(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634768468 344280527 /nfs/dbraw/zinc/28/05/27/344280527.db2.gz LKLFABSMQWMRFI-GWCFXTLKSA-N 1 0 248.330 0.758 10 0 BCAERO COCCCC[N@@H+]1CCO[C@H](CO)C1 ZINC000133125644 344313360 /nfs/dbraw/zinc/31/33/60/344313360.db2.gz MKFMNADTDZRQFB-JTQLQIEISA-N 1 0 203.282 0.106 10 0 BCAERO CN(C)C(=O)c1ccc(N(C)CCC[NH3+])nc1 ZINC000095007671 344332499 /nfs/dbraw/zinc/33/24/99/344332499.db2.gz VBEAGMOAMMQYOK-UHFFFAOYSA-N 1 0 236.319 0.568 10 0 BCAERO C[C@H]1C[C@H]([NH3+])CN1c1nccn2cnnc12 ZINC000385178136 344360275 /nfs/dbraw/zinc/36/02/75/344360275.db2.gz HURZLCZPTFACKA-YUMQZZPRSA-N 1 0 218.264 0.050 10 0 BCAERO C[C@@H]1C[C@H]([NH3+])CN1c1nccn2cnnc12 ZINC000385178135 344360414 /nfs/dbraw/zinc/36/04/14/344360414.db2.gz HURZLCZPTFACKA-SFYZADRCSA-N 1 0 218.264 0.050 10 0 BCAERO C[C@H]1C[C@@H]([NH3+])CN1c1ccnc(N(C)C)n1 ZINC000385223545 344378404 /nfs/dbraw/zinc/37/84/04/344378404.db2.gz HIMXJLJNLUYUPV-DTWKUNHWSA-N 1 0 221.308 0.469 10 0 BCAERO CO[C@H]1CN(C(=O)CCSC)[C@@](C)(C[NH3+])C1 ZINC000600885120 344388186 /nfs/dbraw/zinc/38/81/86/344388186.db2.gz KWZSCUKNHYGZLS-MWLCHTKSSA-N 1 0 246.376 0.704 10 0 BCAERO [NH3+][C@@H](CO)[C@@H](O)c1ncc(Cl)s1 ZINC000223302934 344398622 /nfs/dbraw/zinc/39/86/22/344398622.db2.gz XICSUTBLDVWIFU-WVZVXSGGSA-N 1 0 208.670 0.150 10 0 BCAERO CSCCNC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000084311060 344418793 /nfs/dbraw/zinc/41/87/93/344418793.db2.gz MIBJOQOMKKRFOL-IUCAKERBSA-N 1 0 216.350 0.841 10 0 BCAERO COC[C@H](C)[NH2+]CC(=O)N1CCC(C)CC1 ZINC000381430889 344505550 /nfs/dbraw/zinc/50/55/50/344505550.db2.gz BLWGRYKRIOQWDE-NSHDSACASA-N 1 0 228.336 0.869 10 0 BCAERO COCC(=O)N[C@@H]1CC[C@H](C)[NH2+][C@@H]1C ZINC000227517558 344473886 /nfs/dbraw/zinc/47/38/86/344473886.db2.gz YZWVNTYQNCWXCM-DJLDLDEBSA-N 1 0 200.282 0.278 10 0 BCAERO CC(C)([NH3+])CN1CCCCS1(=O)=O ZINC000107148122 344479727 /nfs/dbraw/zinc/47/97/27/344479727.db2.gz POMPXORDTXNATC-UHFFFAOYSA-N 1 0 206.311 0.149 10 0 BCAERO NC(=O)[C@@]1([NH3+])CCc2cc(Cl)ccc21 ZINC000127596236 344570229 /nfs/dbraw/zinc/57/02/29/344570229.db2.gz UXBOWQHEJOCWIG-SNVBAGLBSA-N 1 0 210.664 0.926 10 0 BCAERO O=c1ccccn1CC[N@H+]1CC[C@@H](CCO)C1 ZINC000227569234 344524879 /nfs/dbraw/zinc/52/48/79/344524879.db2.gz KIRRETWGJXRHLZ-LBPRGKRZSA-N 1 0 236.315 0.553 10 0 BCAERO C[C@H](CO)C[N@@H+]1CCC[C@@H]1CCCO ZINC000120798954 537847510 /nfs/dbraw/zinc/84/75/10/537847510.db2.gz OVEQOIBPRDMKQJ-WDEREUQCSA-N 1 0 201.310 0.852 10 0 BCAERO CC[C@@H](CN)[N@@H+]1CCC[C@@](C)(O)CC1 ZINC000230347362 344528645 /nfs/dbraw/zinc/52/86/45/344528645.db2.gz BCIWFAFNWBJPQZ-WDEREUQCSA-N 1 0 200.326 0.961 10 0 BCAERO C[C@@H](CO)C[N@@H+]1CCC[C@@H]1CCCO ZINC000120799108 537847652 /nfs/dbraw/zinc/84/76/52/537847652.db2.gz OVEQOIBPRDMKQJ-GHMZBOCLSA-N 1 0 201.310 0.852 10 0 BCAERO CCN(CC)C(=O)C1(C[NH3+])CCOCC1 ZINC000044753659 344545826 /nfs/dbraw/zinc/54/58/26/344545826.db2.gz OCKCZBMOSDMICY-UHFFFAOYSA-N 1 0 214.309 0.610 10 0 BCAERO O=C1CCN([C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000158285875 344582394 /nfs/dbraw/zinc/58/23/94/344582394.db2.gz OLXOUKVZXFOBBS-QWRGUYRKSA-N 1 0 208.305 0.888 10 0 BCAERO O=C1CCN([C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000158285438 344582498 /nfs/dbraw/zinc/58/24/98/344582498.db2.gz OLXOUKVZXFOBBS-GHMZBOCLSA-N 1 0 208.305 0.888 10 0 BCAERO CC(C)(C)OC(=O)NCCNC[C@@H]1CCC[NH2+]1 ZINC000227604329 344583621 /nfs/dbraw/zinc/58/36/21/344583621.db2.gz IAUJZOHDQJAMPU-JTQLQIEISA-N 1 0 243.351 0.853 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N[C@H](C)CN1CCCC1=O ZINC000037769293 344585826 /nfs/dbraw/zinc/58/58/26/344585826.db2.gz IYICGZAXNDFLAU-ZJUUUORDSA-N 1 0 241.335 0.241 10 0 BCAERO C[C@@H]1C[C@@]2(CN1C)[NH2+]CCc1nc[nH]c12 ZINC000400397781 537854090 /nfs/dbraw/zinc/85/40/90/537854090.db2.gz MWYOMOVPDUMKDG-KCJUWKMLSA-N 1 0 206.293 0.475 10 0 BCAERO Cn1ccc(C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)n1 ZINC000310414098 344696039 /nfs/dbraw/zinc/69/60/39/344696039.db2.gz MSSCFNGRZXGWOZ-GUBZILKMSA-N 1 0 234.303 0.229 10 0 BCAERO Cn1cc(C(=O)N2CC[C@H]([NH+](C)C)C2)cn1 ZINC000082279298 344714069 /nfs/dbraw/zinc/71/40/69/344714069.db2.gz AGTJSXOLMVWUDG-JTQLQIEISA-N 1 0 222.292 0.196 10 0 BCAERO C[C@](O)(C[C@@H]1COCC[NH2+]1)C(F)(F)F ZINC000166204704 344788475 /nfs/dbraw/zinc/78/84/75/344788475.db2.gz SNGQCJRZNUBQHG-RQJHMYQMSA-N 1 0 213.199 0.678 10 0 BCAERO C[N@@H+]1CCC[C@@]2(CC1)NCCc1nc[nH]c12 ZINC000400555159 537858981 /nfs/dbraw/zinc/85/89/81/537858981.db2.gz KQLOTHCJDIMMAN-LBPRGKRZSA-N 1 0 220.320 0.866 10 0 BCAERO COC(=O)c1ccc(N2C[C@H]([NH3+])C[C@H]2C)nn1 ZINC000600962627 344817198 /nfs/dbraw/zinc/81/71/98/344817198.db2.gz HOEDMNHRAADMRL-HTQZYQBOSA-N 1 0 236.275 0.189 10 0 BCAERO C[N@H+](CC(=O)NC(C)(C)C)[C@H]1CCC[C@@H]1O ZINC000078480131 344873868 /nfs/dbraw/zinc/87/38/68/344873868.db2.gz IKPKRPGUGBMOBE-UWVGGRQHSA-N 1 0 228.336 0.746 10 0 BCAERO C[C@@H]1C[C@@H]1[NH2+]C[C@@H]1CC(F)(F)C(=O)O1 ZINC000235297634 344876183 /nfs/dbraw/zinc/87/61/83/344876183.db2.gz HDTIJZIFNCMURY-VQVTYTSYSA-N 1 0 205.204 0.935 10 0 BCAERO Cc1cc(C(=O)NCC[NH3+])cc(Cl)n1 ZINC000166394760 344887755 /nfs/dbraw/zinc/88/77/55/344887755.db2.gz MZYHQNBRYRXIAY-UHFFFAOYSA-N 1 0 213.668 0.732 10 0 BCAERO C[C@@H]1SCC[C@@]1([NH2+]C1CC1)C(N)=O ZINC000235342777 344890264 /nfs/dbraw/zinc/89/02/64/344890264.db2.gz ZNOVFYPRSJZOQU-RCOVLWMOSA-N 1 0 200.307 0.488 10 0 BCAERO C[C@@H]1C[C@@H](C(F)(F)F)N2CC[NH+]=C2N1 ZINC000235352093 344893603 /nfs/dbraw/zinc/89/36/03/344893603.db2.gz AVWGGAFTMNFEFE-RITPCOANSA-N 1 0 207.199 0.971 10 0 BCAERO COC[C@H](C)C[N@@H+]1CCC[C@@H](NC(C)=O)C1 ZINC000249198371 537871976 /nfs/dbraw/zinc/87/19/76/537871976.db2.gz SAOSFVYFQQXSDJ-ZYHUDNBSSA-N 1 0 228.336 0.869 10 0 BCAERO COC[C@@H]([NH3+])[C@H]1C(=O)C(C)(C)OC1(C)C ZINC000166473655 344906518 /nfs/dbraw/zinc/90/65/18/344906518.db2.gz CPHBTSVGUNOCAB-SFYZADRCSA-N 1 0 215.293 0.733 10 0 BCAERO [NH3+]C[C@]1([C@@H]2CCS(=O)(=O)C2)CCCS1 ZINC000166486979 344907040 /nfs/dbraw/zinc/90/70/40/344907040.db2.gz BAOQVWYDJHIWKD-BDAKNGLRSA-N 1 0 235.374 0.646 10 0 BCAERO Brc1cn(C2C[NH2+]C2)cn1 ZINC000667414526 537875326 /nfs/dbraw/zinc/87/53/26/537875326.db2.gz KFDAEFXKYJREOV-UHFFFAOYSA-N 1 0 202.055 0.790 10 0 BCAERO C[C@H]([NH3+])C(=O)Nc1nccc(Cl)n1 ZINC000235461249 344919977 /nfs/dbraw/zinc/91/99/77/344919977.db2.gz UVHQPZDKQMDFBM-BYPYZUCNSA-N 1 0 200.629 0.416 10 0 BCAERO COC(=O)[C@@H]([NH3+])CCn1cc(Cl)c(C)n1 ZINC000070704336 537880527 /nfs/dbraw/zinc/88/05/27/537880527.db2.gz YBUDTZPPVVJGEV-QMMMGPOBSA-N 1 0 231.683 0.735 10 0 BCAERO C[NH2+][C@](C)(CCn1nccc1C)C(N)=O ZINC000070686971 537877956 /nfs/dbraw/zinc/87/79/56/537877956.db2.gz ZKJSZULBUITWRU-SNVBAGLBSA-N 1 0 210.281 0.045 10 0 BCAERO CC[NH2+][C@@](C)(Cn1ccc(C)n1)C(N)=O ZINC000070686716 537879097 /nfs/dbraw/zinc/87/90/97/537879097.db2.gz DVLDHJIBPVYJLT-JTQLQIEISA-N 1 0 210.281 0.045 10 0 BCAERO COC(=O)[C@](C)([NH3+])CCn1ccc(C)n1 ZINC000070686383 537879431 /nfs/dbraw/zinc/87/94/31/537879431.db2.gz XYEPZXWCRMTYJL-SNVBAGLBSA-N 1 0 211.265 0.472 10 0 BCAERO C[NH2+][C@@](C)(Cn1ncc(Cl)c1C)C(N)=O ZINC000070704497 537880980 /nfs/dbraw/zinc/88/09/80/537880980.db2.gz AIVXIQRXGPEROL-VIFPVBQESA-N 1 0 230.699 0.308 10 0 BCAERO CC(C)(C)OC(=O)NC[C@@H]1COCCC[NH2+]1 ZINC000238162104 344981699 /nfs/dbraw/zinc/98/16/99/344981699.db2.gz INKZYWPWCIWJCR-SECBINFHSA-N 1 0 230.308 0.890 10 0 BCAERO COc1cc([C@H]([NH3+])CCO)cc(OC)c1O ZINC000044232377 344988417 /nfs/dbraw/zinc/98/84/17/344988417.db2.gz JRJRSZSUPFJJHG-MRVPVSSYSA-N 1 0 227.260 0.792 10 0 BCAERO C[C@H](C[NH3+])[C@@H](O)c1ncc(Cl)n1C ZINC000301041349 537882675 /nfs/dbraw/zinc/88/26/75/537882675.db2.gz WMAXBYKWFIKLPV-IYSWYEEDSA-N 1 0 203.673 0.702 10 0 BCAERO COC(=O)[C@@H](N)Cc1cccc(F)c1OC ZINC000044339067 345027383 /nfs/dbraw/zinc/02/73/83/345027383.db2.gz QBHZBDOKCFYLKK-VIFPVBQESA-N 1 0 227.235 0.877 10 0 BCAERO C[C@@H]1CC[C@@]2(CO1)[NH2+]CCc1nc[nH]c12 ZINC000401687577 537887540 /nfs/dbraw/zinc/88/75/40/537887540.db2.gz YJIHRRPXFBZMNU-KCJUWKMLSA-N 1 0 207.277 0.950 10 0 BCAERO C[C@H](C[NH3+])S(=O)(=O)c1ccc(F)cc1 ZINC000011896492 345057154 /nfs/dbraw/zinc/05/71/54/345057154.db2.gz QSIHJEGNDAIFEI-SSDOTTSWSA-N 1 0 217.265 0.947 10 0 BCAERO O=C1NCCC[C@@H]1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000156076393 345123344 /nfs/dbraw/zinc/12/33/44/345123344.db2.gz BTOOIFMNURAVGB-UTUOFQBUSA-N 1 0 237.347 0.481 10 0 BCAERO N[C@@H](C[NH3+])c1cccc(Br)n1 ZINC000044470830 345090178 /nfs/dbraw/zinc/09/01/78/345090178.db2.gz UDYJAZCQDFTWMJ-YFKPBYRVSA-N 1 0 216.082 0.803 10 0 BCAERO N[C@H](C[NH3+])c1cccnc1Br ZINC000044472412 345090538 /nfs/dbraw/zinc/09/05/38/345090538.db2.gz LNTKSFZKLBTATG-ZCFIWIBFSA-N 1 0 216.082 0.803 10 0 BCAERO C(C1CC1)[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000156530983 345176982 /nfs/dbraw/zinc/17/69/82/345176982.db2.gz VMLGVVUHMNSGDO-LBPRGKRZSA-N 1 0 210.321 0.803 10 0 BCAERO CC(C)c1cnn(CC[C@H]([NH3+])C(N)=O)c1 ZINC000402122007 537890202 /nfs/dbraw/zinc/89/02/02/537890202.db2.gz LIPJGWXJBPWFEO-VIFPVBQESA-N 1 0 210.281 0.209 10 0 BCAERO CC[C@](C)(C[NH3+])C(=O)Nc1nncs1 ZINC000128078287 345226924 /nfs/dbraw/zinc/22/69/24/345226924.db2.gz LBHFCKIEFHSLNF-MRVPVSSYSA-N 1 0 214.294 0.852 10 0 BCAERO C[C@@H]1COCC[C@H]1[NH2+]C[C@@H]1CNC(=O)O1 ZINC000380276045 345264155 /nfs/dbraw/zinc/26/41/55/345264155.db2.gz XRCNYJYVNWSOIM-IWSPIJDZSA-N 1 0 214.265 0.109 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@@H](N2CCS(=O)(=O)CC2)C1 ZINC000675054337 537894726 /nfs/dbraw/zinc/89/47/26/537894726.db2.gz SITWXXNUFGUHHV-GHMZBOCLSA-N 1 0 246.376 0.234 10 0 BCAERO CS(=O)(=O)Cc1cc(F)cc(C[NH3+])c1 ZINC000130948438 345289876 /nfs/dbraw/zinc/28/98/76/345289876.db2.gz AOXZMDGUMUGAGK-UHFFFAOYSA-N 1 0 217.265 0.829 10 0 BCAERO CSCCNC(=O)C1(C[NH3+])CCOCC1 ZINC000168260618 345297240 /nfs/dbraw/zinc/29/72/40/345297240.db2.gz BOCZXGLCRRCVMX-UHFFFAOYSA-N 1 0 232.349 0.221 10 0 BCAERO C[C@H](O)CCN(C)C(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000158338392 345324132 /nfs/dbraw/zinc/32/41/32/345324132.db2.gz VKSSNXMFVFJISY-DCAQKATOSA-N 1 0 228.336 0.733 10 0 BCAERO COC[C@H]([NH3+])C(=O)N[C@H](C)CC1CC1 ZINC000088004456 133544769 /nfs/dbraw/zinc/54/47/69/133544769.db2.gz XKQUYOKCBKEMLX-APPZFPTMSA-N 1 0 200.282 0.265 10 0 BCAERO C[C@H]([NH2+]C[C@H]1CNC(=O)O1)C1CCOCC1 ZINC000381336664 345385412 /nfs/dbraw/zinc/38/54/12/345385412.db2.gz VYFUGQYPZQDSOZ-WPRPVWTQSA-N 1 0 228.292 0.500 10 0 BCAERO C[C@H](C[NH3+])c1nc2c(c(=O)[nH]1)CSC2 ZINC000134654553 345418481 /nfs/dbraw/zinc/41/84/81/345418481.db2.gz OIKPXVOQQKKNCW-RXMQYKEDSA-N 1 0 211.290 0.579 10 0 BCAERO COC[C@@H]([NH3+])C(=O)NCCc1ccccc1F ZINC000159559349 345440864 /nfs/dbraw/zinc/44/08/64/345440864.db2.gz USZWTEDTYWBVGD-LLVKDONJSA-N 1 0 240.278 0.458 10 0 BCAERO [NH2+]=C(NC1CCS(=O)CC1)C1CC1 ZINC000229280456 345474721 /nfs/dbraw/zinc/47/47/21/345474721.db2.gz GCDJWXOUMYXLNG-UHFFFAOYSA-N 1 0 200.307 0.874 10 0 BCAERO COC(=O)[C@H](C)CN(C)C(=O)C[C@H]([NH3+])C(C)C ZINC000136404854 345509941 /nfs/dbraw/zinc/50/99/41/345509941.db2.gz AEROZEHEVYHYNI-ZJUUUORDSA-N 1 0 244.335 0.627 10 0 BCAERO C[C@H]1COC[C@H](C)[NH+]1CC1(CO)COC1 ZINC000089129569 345549305 /nfs/dbraw/zinc/54/93/05/345549305.db2.gz XSWIKVMPPYHILR-UWVGGRQHSA-N 1 0 215.293 0.105 10 0 BCAERO CCOC[C@H](O)C[NH2+][C@@H](CO)CC(C)C ZINC000068951607 349932506 /nfs/dbraw/zinc/93/25/06/349932506.db2.gz JPCLNUPVEWKDAW-GHMZBOCLSA-N 1 0 219.325 0.380 10 0 BCAERO Cc1ccc([C@H](C[NH3+])N2CCNC(=O)C2)s1 ZINC000043239007 178904497 /nfs/dbraw/zinc/90/44/97/178904497.db2.gz XUKXPEOPWZHXAP-VIFPVBQESA-N 1 0 239.344 0.488 10 0 BCAERO CN(C)c1nccc(N2CC[C@@H]3C[NH2+]C[C@@H]32)n1 ZINC000212721549 345740460 /nfs/dbraw/zinc/74/04/60/345740460.db2.gz KOGRDDCRJHDTFS-ZJUUUORDSA-N 1 0 233.319 0.341 10 0 BCAERO CC[N@H+](CCO)CCNc1ccccn1 ZINC000198728405 345727152 /nfs/dbraw/zinc/72/71/52/345727152.db2.gz DNEOTTHJCZOUCE-UHFFFAOYSA-N 1 0 209.293 0.808 10 0 BCAERO COC(=O)N1CCN(C[C@@H]2CCC[NH2+]C2)CC1 ZINC000212487225 345737564 /nfs/dbraw/zinc/73/75/64/345737564.db2.gz KNGILYXCFSDIDY-LLVKDONJSA-N 1 0 241.335 0.370 10 0 BCAERO COC(=O)c1ccc(N2CC[NH2+]C[C@H]2C)nc1 ZINC000168253920 345810470 /nfs/dbraw/zinc/81/04/70/345810470.db2.gz WNPAFDSHBQHJQT-SECBINFHSA-N 1 0 235.287 0.666 10 0 BCAERO CC[C@@H]1CO[C@@H](C)CN1[C@@H](C)C(N)=O ZINC000061679363 345810481 /nfs/dbraw/zinc/81/04/81/345810481.db2.gz TXXDCRXXTOEHNA-XHNCKOQMSA-N 1 0 200.282 0.360 10 0 BCAERO COC(=O)[C@H]([C@@H](C)O)[C@@H]([NH3+])c1ccccc1 ZINC000137345445 345842940 /nfs/dbraw/zinc/84/29/40/345842940.db2.gz UFNXMCYOIHIBAJ-IEBDPFPHSA-N 1 0 223.272 0.856 10 0 BCAERO CC[NH+]1CCN(c2ccc(N)c(N)c2)CC1 ZINC000141097156 345836612 /nfs/dbraw/zinc/83/66/12/345836612.db2.gz KTZGYCBQCIYYMJ-UHFFFAOYSA-N 1 0 220.320 0.993 10 0 BCAERO [NH3+]CCCCc1ccccc1OC[C@@H](O)CO ZINC000034618413 345838283 /nfs/dbraw/zinc/83/82/83/345838283.db2.gz NPFIBIVWXAVMRM-LBPRGKRZSA-N 1 0 239.315 0.700 10 0 BCAERO Cc1ccc([S@](=O)C[C@H]2CC[NH2+]C2)nn1 ZINC000095069132 178934805 /nfs/dbraw/zinc/93/48/05/178934805.db2.gz HJXOZCYTXBZQFH-VFZGTOFNSA-N 1 0 225.317 0.502 10 0 BCAERO C#CCCCC[NH2+][C@@]1(C)CCC(=O)NC1=O ZINC000142693778 345873569 /nfs/dbraw/zinc/87/35/69/345873569.db2.gz JBFOTLJNCGRSPA-LBPRGKRZSA-N 1 0 222.288 0.575 10 0 BCAERO C[NH2+][C@](C)(C[C@@H](C)n1ccnc1)C(N)=O ZINC000082800169 537923063 /nfs/dbraw/zinc/92/30/63/537923063.db2.gz ZQUMLBLOMNLUKL-PSASIEDQSA-N 1 0 210.281 0.298 10 0 BCAERO C[C@](N)(C[NH+]1CCC(C)(C)CC1)C(N)=O ZINC000061821946 345957280 /nfs/dbraw/zinc/95/72/80/345957280.db2.gz VCSQXBFQQZFWFT-NSHDSACASA-N 1 0 213.325 0.311 10 0 BCAERO COC(=O)[C@@](C)([NH3+])C[C@@H](C)n1cccn1 ZINC000082800440 537923647 /nfs/dbraw/zinc/92/36/47/537923647.db2.gz PTDCXOXMHYZDIW-SCZZXKLOSA-N 1 0 211.265 0.725 10 0 BCAERO Cc1cnn([C@@H](C)C[C@](C)([NH3+])C(N)=O)c1 ZINC000082800499 537923872 /nfs/dbraw/zinc/92/38/72/537923872.db2.gz XHCYCDCMWKWRSI-WPRPVWTQSA-N 1 0 210.281 0.345 10 0 BCAERO C[NH2+][C@](C)(C[C@H](C)n1ccnc1)C(N)=O ZINC000082800168 537924279 /nfs/dbraw/zinc/92/42/79/537924279.db2.gz ZQUMLBLOMNLUKL-WCBMZHEXSA-N 1 0 210.281 0.298 10 0 BCAERO COC(=O)[C@](C)([NH3+])C[C@@H](C)n1ccnc1 ZINC000082800146 537924332 /nfs/dbraw/zinc/92/43/32/537924332.db2.gz FQQMQWBAMSRFCK-PSASIEDQSA-N 1 0 211.265 0.725 10 0 BCAERO CC(=O)CC(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]12 ZINC000226816017 345971693 /nfs/dbraw/zinc/97/16/93/345971693.db2.gz KUWZZPWPBPGHGE-ZJUUUORDSA-N 1 0 210.277 0.318 10 0 BCAERO FC1(C[NH2+][C@@H]2CCc3ncnn3C2)CC1 ZINC000380014860 365806838 /nfs/dbraw/zinc/80/68/38/365806838.db2.gz SYNMJDFSPSNRIS-MRVPVSSYSA-N 1 0 210.256 0.685 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)N[C@H]2CC[NH2+]C2(C)C)O1 ZINC000307824847 346028025 /nfs/dbraw/zinc/02/80/25/346028025.db2.gz SZQXMYOGAHFPJA-BBBLOLIVSA-N 1 0 226.320 0.811 10 0 BCAERO C[C@H](C[NH3+])c1n[nH]nc1C(=O)OC(C)(C)C ZINC000685953874 537943033 /nfs/dbraw/zinc/94/30/33/537943033.db2.gz QGYOOHNNAJIVSS-ZCFIWIBFSA-N 1 0 226.280 0.822 10 0 BCAERO CC(C)[C@H](C)C(=O)NC[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000675054633 537951724 /nfs/dbraw/zinc/95/17/24/537951724.db2.gz SGCMURFCDDUIKB-UKKRHICBSA-N 1 0 210.321 0.860 10 0 BCAERO [NH3+]CCNC(=O)c1cc(Cl)nnc1Cl ZINC000236244724 346213409 /nfs/dbraw/zinc/21/34/09/346213409.db2.gz NNXLHSJQCVZKAA-UHFFFAOYSA-N 1 0 235.074 0.472 10 0 BCAERO NC(=O)[C@@H]1CC[N@@H+](C2CCC(=O)CC2)C1 ZINC000236265941 346217986 /nfs/dbraw/zinc/21/79/86/346217986.db2.gz HXHVHPOCAIIRJU-MRVPVSSYSA-N 1 0 210.277 0.305 10 0 BCAERO CNS(=O)(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000669376418 537961038 /nfs/dbraw/zinc/96/10/38/537961038.db2.gz RSGYPUSCXNSQOI-RKDXNWHRSA-N 1 0 220.338 0.408 10 0 BCAERO CCCCn1ncc2c1nc[nH+]c2NN ZINC000669377303 537964145 /nfs/dbraw/zinc/96/41/45/537964145.db2.gz LYCSFYNLHUNQHZ-UHFFFAOYSA-N 1 0 206.253 0.912 10 0 BCAERO O=S1(=O)CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000167639953 346293374 /nfs/dbraw/zinc/29/33/74/346293374.db2.gz BQSGPYMNUZDXRF-BDAKNGLRSA-N 1 0 203.307 0.706 10 0 BCAERO Cc1csc(NC[C@H]2C[NH2+]CCO2)n1 ZINC000227786935 346299584 /nfs/dbraw/zinc/29/95/84/346299584.db2.gz NDIYOVJJZMSTFX-MRVPVSSYSA-N 1 0 213.306 0.852 10 0 BCAERO CC(C)[C@@H](CO)NC(=O)[C@H]1CCC[NH2+][C@H]1C ZINC000395314667 537965485 /nfs/dbraw/zinc/96/54/85/537965485.db2.gz XWPAPXDVUDCXQQ-GARJFASQSA-N 1 0 228.336 0.508 10 0 BCAERO OCCCCC[N@@H+]1CC[C@@H](CCO)C1 ZINC000161624986 346345098 /nfs/dbraw/zinc/34/50/98/346345098.db2.gz WEWGLKCWHOZTHD-NSHDSACASA-N 1 0 201.310 0.853 10 0 BCAERO OCC[C@H]1CC[N@H+](CCn2cccn2)C1 ZINC000161611255 346341384 /nfs/dbraw/zinc/34/13/84/346341384.db2.gz IHPYLKYMJZYEJX-LLVKDONJSA-N 1 0 209.293 0.587 10 0 BCAERO CS(=O)(=O)CCC[N@@H+]1CC[C@H](CCO)C1 ZINC000161600530 346341672 /nfs/dbraw/zinc/34/16/72/346341672.db2.gz GRANHDSGCFULCT-SNVBAGLBSA-N 1 0 235.349 0.125 10 0 BCAERO CN(C)C(=O)CC[N@@H+]1CC[C@@H](CCO)C1 ZINC000161618116 346342243 /nfs/dbraw/zinc/34/22/43/346342243.db2.gz WSMMPUGEXRTPFE-JTQLQIEISA-N 1 0 214.309 0.169 10 0 BCAERO C[N@H+](C[C@H]1C[NH2+]C[C@H](C(=O)[O-])C1)C1CC1 ZINC000669378745 537972937 /nfs/dbraw/zinc/97/29/37/537972937.db2.gz KWBJUSQRKZHMFP-RKDXNWHRSA-N 1 0 212.293 0.391 10 0 BCAERO Cc1cccc(CN2CC[NH2+]C[C@@H]2CCO)n1 ZINC000072433834 179078422 /nfs/dbraw/zinc/07/84/22/179078422.db2.gz UWJMISZCMKFXHV-ZDUSSCGKSA-N 1 0 235.331 0.546 10 0 BCAERO COCCNC(=O)N1CCC[NH2+]C2(CC2)C1 ZINC000725241247 537977330 /nfs/dbraw/zinc/97/73/30/537977330.db2.gz CARZAYMUEZOPNY-UHFFFAOYSA-N 1 0 227.308 0.170 10 0 BCAERO CC(C)NC(=O)N1CC(OC2CC[NH2+]CC2)C1 ZINC000675054837 537977373 /nfs/dbraw/zinc/97/73/73/537977373.db2.gz JSQYTDWTDBODEE-UHFFFAOYSA-N 1 0 241.335 0.557 10 0 BCAERO COC[C@@H]([NH3+])C(=O)NCc1ncc(C)s1 ZINC000300361713 346431952 /nfs/dbraw/zinc/43/19/52/346431952.db2.gz HBQCJCXHRBEBNN-SSDOTTSWSA-N 1 0 229.305 0.041 10 0 BCAERO Cc1cccc(C[N@@H+]2CCC[C@](O)(C(N)=O)C2)n1 ZINC000310969628 179075934 /nfs/dbraw/zinc/07/59/34/179075934.db2.gz DAFBXSWUPWQIAD-CYBMUJFWSA-N 1 0 249.314 0.202 10 0 BCAERO CC(C)(C)[C@@](O)(C[NH3+])c1cnc(N)s1 ZINC000159862630 346433613 /nfs/dbraw/zinc/43/36/13/346433613.db2.gz XVOAJJSXSWMKBI-SECBINFHSA-N 1 0 215.322 0.918 10 0 BCAERO Cc1cccc(CNC(=O)[C@H]2CC[NH2+]C2)n1 ZINC000062116795 179088414 /nfs/dbraw/zinc/08/84/14/179088414.db2.gz GKZJGNRDXVZGNY-JTQLQIEISA-N 1 0 219.288 0.616 10 0 BCAERO COC(=O)c1cnn2c1[C@@H](C[NH3+])CCC2 ZINC000725241672 537980484 /nfs/dbraw/zinc/98/04/84/537980484.db2.gz LYQSTLGSPAGAOH-SSDOTTSWSA-N 1 0 209.249 0.506 10 0 BCAERO CCOC(=O)[C@H](C)n1cc([C@H]2CCC[NH2+]2)nn1 ZINC000725241613 537980677 /nfs/dbraw/zinc/98/06/77/537980677.db2.gz JJDHECKEYCWEIN-DTWKUNHWSA-N 1 0 238.291 0.827 10 0 BCAERO C[C@@](CC[NH3+])(NC(=O)C1CC1)C(F)F ZINC000669379574 537980942 /nfs/dbraw/zinc/98/09/42/537980942.db2.gz FRZXITQSIHDPHH-VIFPVBQESA-N 1 0 206.236 0.885 10 0 BCAERO CCC(=O)N[C@@H]1CC2(C[NH2+]C2)n2ccnc21 ZINC000669379732 537980951 /nfs/dbraw/zinc/98/09/51/537980951.db2.gz AJNQRFUJOHRGEA-MRVPVSSYSA-N 1 0 220.276 0.153 10 0 BCAERO CCc1cc(C(=O)N2CC[C@H]([NH+](C)C)C2)[nH]n1 ZINC000170866848 346467180 /nfs/dbraw/zinc/46/71/80/346467180.db2.gz SHTONWBFSFYHRV-JTQLQIEISA-N 1 0 236.319 0.748 10 0 BCAERO OC[C@@H]1CCN([C@H]2C[C@@H]3CCCC[N@@H+]3C2)C1 ZINC000725241634 537982073 /nfs/dbraw/zinc/98/20/73/537982073.db2.gz KKLUMJVCKYEJOA-AGIUHOORSA-N 1 0 224.348 0.927 10 0 BCAERO CC[C@](O)(CN1CC[NH2+]C[C@H]1C)C(F)(F)F ZINC000669379835 537982233 /nfs/dbraw/zinc/98/22/33/537982233.db2.gz KWMZNKYCXRYJKF-BDAKNGLRSA-N 1 0 240.269 0.984 10 0 BCAERO CCCCS(=O)(=O)NC12CC([NH3+])(C1)C2 ZINC000725241836 537981685 /nfs/dbraw/zinc/98/16/85/537981685.db2.gz RUEPTULLFLYRJC-UHFFFAOYSA-N 1 0 218.322 0.340 10 0 BCAERO C[S@](=O)C1(C[NH2+]C[C@H](O)C(C)(C)C)CC1 ZINC000380195132 346559468 /nfs/dbraw/zinc/55/94/68/346559468.db2.gz BSHYDXRCNKFNKQ-VFZGTOFNSA-N 1 0 233.377 0.894 10 0 BCAERO CS(=O)(=O)c1cnn([C@@H]2CCC[NH2+]CC2)c1 ZINC000725242373 537983335 /nfs/dbraw/zinc/98/33/35/537983335.db2.gz XXVCNRKSLYOVRA-SECBINFHSA-N 1 0 243.332 0.601 10 0 BCAERO Cc1cccc(N(C)C(=O)[C@@H]2C[NH2+][C@H](C)CN2)c1 ZINC000062815452 179113514 /nfs/dbraw/zinc/11/35/14/179113514.db2.gz UGMFSMJJNLFNCJ-YPMHNXCESA-N 1 0 247.342 0.908 10 0 BCAERO CC(C)S(=O)(=O)N[C@@](C)(CC[NH3+])C(F)F ZINC000669379895 537982581 /nfs/dbraw/zinc/98/25/81/537982581.db2.gz HZSCCOAMXISXMJ-QMMMGPOBSA-N 1 0 244.307 0.687 10 0 BCAERO C[C@H](C[NH3+])[C@@H](C)n1cc(S(C)(=O)=O)cn1 ZINC000725242381 537984482 /nfs/dbraw/zinc/98/44/82/537984482.db2.gz YKSVQSFAGZZNTO-HTQZYQBOSA-N 1 0 231.321 0.442 10 0 BCAERO C[NH2+][C@H](C)C(=O)NC1C[C@H](C)O[C@@H](C)C1 ZINC000577123428 365827033 /nfs/dbraw/zinc/82/70/33/365827033.db2.gz LULOYNJYBAFFKT-XHNCKOQMSA-N 1 0 214.309 0.667 10 0 BCAERO CCN1CC[NH2+][C@@H]2CC[C@@H](OC(C)C)N[C@@H]21 ZINC000669380056 537984551 /nfs/dbraw/zinc/98/45/51/537984551.db2.gz HDLBIUZTDBYXLV-IJLUTSLNSA-N 1 0 227.352 0.741 10 0 BCAERO O=C([C@@H]1CSCC[NH2+]1)N1CCCCO1 ZINC000164300245 346599717 /nfs/dbraw/zinc/59/97/17/346599717.db2.gz AZAFJIJGTWUQII-QMMMGPOBSA-N 1 0 216.306 0.245 10 0 BCAERO CNC(=S)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000164327023 346600330 /nfs/dbraw/zinc/60/03/30/346600330.db2.gz PRIAZUHFRQPQAM-MRVPVSSYSA-N 1 0 201.339 0.374 10 0 BCAERO CC[C@@H]1CN(C(=S)NC)CC[N@@H+]1C ZINC000164339956 346601322 /nfs/dbraw/zinc/60/13/22/346601322.db2.gz XDUXUINVDKDJHL-MRVPVSSYSA-N 1 0 201.339 0.517 10 0 BCAERO C[C@H](NC(=O)[C@H]1CC[C@H]([NH3+])C1)c1cn[nH]c1 ZINC000300399719 346613439 /nfs/dbraw/zinc/61/34/39/346613439.db2.gz VQROJEPPDCUAOZ-NRPADANISA-N 1 0 222.292 0.714 10 0 BCAERO C[C@H](NC(=O)[C@@H]1CC[C@H]([NH3+])C1)c1cn[nH]c1 ZINC000300399720 346613494 /nfs/dbraw/zinc/61/34/94/346613494.db2.gz VQROJEPPDCUAOZ-XKSSXDPKSA-N 1 0 222.292 0.714 10 0 BCAERO COc1nsc(OC)c1[C@H]1C[NH2+]CCN1 ZINC000669379991 537985246 /nfs/dbraw/zinc/98/52/46/537985246.db2.gz ODFUCXSMIYYBHQ-ZCFIWIBFSA-N 1 0 229.305 0.394 10 0 BCAERO O=C1NCCC[C@H]1[NH2+]Cc1[nH]nc2ccccc21 ZINC000589647109 346721974 /nfs/dbraw/zinc/72/19/74/346721974.db2.gz JEIDEANLUHTIAP-LLVKDONJSA-N 1 0 244.298 0.931 10 0 BCAERO Cc1cccc(NC[C@H]2C[NH2+]CCO2)n1 ZINC000227787025 179148832 /nfs/dbraw/zinc/14/88/32/179148832.db2.gz AZXDLYKZIMJNFK-SNVBAGLBSA-N 1 0 207.277 0.790 10 0 BCAERO CC(C)N(C)C(=O)CN1CCCC[C@@H]1C[NH3+] ZINC000019843215 187370749 /nfs/dbraw/zinc/37/07/49/187370749.db2.gz OSCIUJGBSWUMJX-LLVKDONJSA-N 1 0 227.352 0.666 10 0 BCAERO CCCCN(C)S(=O)(=O)N1CCC[C@H]1C[NH3+] ZINC000252688656 346761339 /nfs/dbraw/zinc/76/13/39/346761339.db2.gz OXLDGIOFZUZFIF-JTQLQIEISA-N 1 0 249.380 0.386 10 0 BCAERO CCC[C@H](C(=O)N[C@H](C)C[S@@](C)=O)N(C)C ZINC000248454335 323135185 /nfs/dbraw/zinc/13/51/85/323135185.db2.gz LTQKBZFCXKGREV-XIZWVBILSA-N 1 0 248.392 0.600 10 0 BCAERO OC[C@@H]1C[C@H]1[NH2+]Cc1cccc2c1OCO2 ZINC000378662066 346800128 /nfs/dbraw/zinc/80/01/28/346800128.db2.gz CFGHUVNABOVCCT-VHSXEESVSA-N 1 0 221.256 0.886 10 0 BCAERO COc1cc([C@@H]2CC[NH2+]C[C@H]2N)ccn1 ZINC000725242463 537986640 /nfs/dbraw/zinc/98/66/40/537986640.db2.gz HUCJNUDMIUAUFR-VHSXEESVSA-N 1 0 207.277 0.494 10 0 BCAERO Cc1cccc(OC[C@@H](O)C[NH2+]C2COC2)c1 ZINC000094710326 179171285 /nfs/dbraw/zinc/17/12/85/179171285.db2.gz XYIMPOXJMZCQKP-LBPRGKRZSA-N 1 0 237.299 0.723 10 0 BCAERO Cc1cccc([C@@H](C[NH3+])N(C)CCO)c1 ZINC000020225479 179185625 /nfs/dbraw/zinc/18/56/25/179185625.db2.gz SYVSZLMGFHSSMC-GFCCVEGCSA-N 1 0 208.305 0.919 10 0 BCAERO CCOC(=O)[C@H](C)N1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000601325888 347209817 /nfs/dbraw/zinc/20/98/17/347209817.db2.gz HCJFQQSXCRKWLQ-GUBZILKMSA-N 1 0 214.309 0.465 10 0 BCAERO Cc1cccc([C@@H](O)CN2CC[NH2+]CC2)c1 ZINC000019785167 179186223 /nfs/dbraw/zinc/18/62/23/179186223.db2.gz XZSDZMCXTGIGKE-ZDUSSCGKSA-N 1 0 220.316 0.934 10 0 BCAERO CC[C@](O)(CN1CC[NH2+]CC1)C(F)(F)F ZINC000669380337 537987558 /nfs/dbraw/zinc/98/75/58/537987558.db2.gz XKDHEGUJPSLWBC-QMMMGPOBSA-N 1 0 226.242 0.595 10 0 BCAERO c1nc2c([nH]1)[C@]1(C[C@H]3COC[C@H]31)[NH2+]CC2 ZINC000725242861 537988011 /nfs/dbraw/zinc/98/80/11/537988011.db2.gz FECTWSKHNXRNPP-VAOFZXAKSA-N 1 0 205.261 0.417 10 0 BCAERO [NH3+][C@H]1[C@@H](Nc2nccs2)[C@@H]2OCC[C@@H]12 ZINC000250197594 362795985 /nfs/dbraw/zinc/79/59/85/362795985.db2.gz YZQHZKPAHBSPBN-LXGUWJNJSA-N 1 0 211.290 0.670 10 0 BCAERO CCN1CCC[C@@H]([NH2+][C@H]2CCCNC(=O)C2)C1 ZINC000250241094 362797159 /nfs/dbraw/zinc/79/71/59/362797159.db2.gz HICIDULQUAKRFE-NWDGAFQWSA-N 1 0 239.363 0.729 10 0 BCAERO c1nc2c([nH]1)[C@]1(C[C@@H]3COC[C@@H]31)[NH2+]CC2 ZINC000725242862 537988412 /nfs/dbraw/zinc/98/84/12/537988412.db2.gz FECTWSKHNXRNPP-VHSKPIJISA-N 1 0 205.261 0.417 10 0 BCAERO Cc1cccc([C@H](C[NH3+])N(C)CCO)c1 ZINC000020225478 179199057 /nfs/dbraw/zinc/19/90/57/179199057.db2.gz SYVSZLMGFHSSMC-LBPRGKRZSA-N 1 0 208.305 0.919 10 0 BCAERO CC(C)C[C@H]([NH3+])C(=O)N1CCO[C@@H](C)C1 ZINC000019434825 347324063 /nfs/dbraw/zinc/32/40/63/347324063.db2.gz MNNFFQXHERUZKL-UWVGGRQHSA-N 1 0 214.309 0.607 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N[C@@H](C)Cc1ccsc1 ZINC000088003803 362819479 /nfs/dbraw/zinc/81/94/79/362819479.db2.gz KTTWGKSIWXRADG-WCBMZHEXSA-N 1 0 242.344 0.769 10 0 BCAERO CCOCCCCNC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000388414324 347392987 /nfs/dbraw/zinc/39/29/87/347392987.db2.gz ZWTIMYFXRPBCSS-GHMZBOCLSA-N 1 0 228.336 0.775 10 0 BCAERO CCCCOC[C@@H](O)C[NH+]1CCC(O)CC1 ZINC000193246458 347393146 /nfs/dbraw/zinc/39/31/46/347393146.db2.gz ORYDUJBVGYOXTM-LBPRGKRZSA-N 1 0 231.336 0.621 10 0 BCAERO CCCCOC[C@H](O)C[N@@H+]1CC[C@H](CO)C1 ZINC000193251991 347394329 /nfs/dbraw/zinc/39/43/29/347394329.db2.gz QOEXFDMGZCUSPU-NWDGAFQWSA-N 1 0 231.336 0.478 10 0 BCAERO CN(C)[C@@H]1CC[N@H+](CCC2(O)CCC2)C1 ZINC000396792438 362834823 /nfs/dbraw/zinc/83/48/23/362834823.db2.gz MDIBFFGJRKOTMM-LLVKDONJSA-N 1 0 212.337 0.927 10 0 BCAERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1nnn(C)n1 ZINC000194439566 347422035 /nfs/dbraw/zinc/42/20/35/347422035.db2.gz HSPCRAQSSZBJBL-JTQLQIEISA-N 1 0 238.339 0.126 10 0 BCAERO Cc1cccc2[nH]c(C(=O)N3CC[NH2+]CC3)nc21 ZINC000038869223 179228636 /nfs/dbraw/zinc/22/86/36/179228636.db2.gz QGHMMSSRSVVVRM-UHFFFAOYSA-N 1 0 244.298 0.917 10 0 BCAERO [NH3+]C[C@@H](n1cnnc1)C(F)(F)C(F)(F)F ZINC000616568530 347447707 /nfs/dbraw/zinc/44/77/07/347447707.db2.gz CBUBXKFXTIHQTC-SCSAIBSYSA-N 1 0 230.140 0.976 10 0 BCAERO CC[C@@H]1CC[NH2+]C[C@H]1NC(=O)COC ZINC000616569093 347521495 /nfs/dbraw/zinc/52/14/95/347521495.db2.gz GEDBFFHELBWERV-RKDXNWHRSA-N 1 0 200.282 0.137 10 0 BCAERO CSC[C@H](C)NC(=O)[C@H]1C[NH2+]CCOC1 ZINC000591615043 347678683 /nfs/dbraw/zinc/67/86/83/347678683.db2.gz DAWHTEFUKZHGTE-IUCAKERBSA-N 1 0 232.349 0.090 10 0 BCAERO CS[C@H]1CC[C@@H]1[NH2+]C1CCN(CCO)CC1 ZINC000591835646 347703266 /nfs/dbraw/zinc/70/32/66/347703266.db2.gz ZHLRAUZUVWSGRE-RYUDHWBXSA-N 1 0 244.404 0.927 10 0 BCAERO Cc1ccccc1CNC(=O)[C@@H]1C[NH2+][C@@H](C)CN1 ZINC000062814640 179279116 /nfs/dbraw/zinc/27/91/16/179279116.db2.gz OSEDXUWBJLNURC-AAEUAGOBSA-N 1 0 247.342 0.561 10 0 BCAERO C[C@]([NH3+])(CCNS(=O)(=O)C1CC1)C(F)F ZINC000669380944 537992266 /nfs/dbraw/zinc/99/22/66/537992266.db2.gz TZJIZHLUQRDVLJ-QMMMGPOBSA-N 1 0 242.291 0.441 10 0 BCAERO COCC(=O)N[C@H]1C[NH2+]CC[C@H]1C(F)(F)F ZINC000616569674 347805573 /nfs/dbraw/zinc/80/55/73/347805573.db2.gz BWXNATAOWVZQCY-RQJHMYQMSA-N 1 0 240.225 0.289 10 0 BCAERO CCCCOCCNC(=O)[C@H]1C[NH2+]C[C@@H]1C ZINC000082559705 347828896 /nfs/dbraw/zinc/82/88/96/347828896.db2.gz DSLMWDZHYVDUKI-QWRGUYRKSA-N 1 0 228.336 0.775 10 0 BCAERO CC(=O)N[C@H](C[NH3+])C(F)(F)C(F)(F)F ZINC000669380774 537993022 /nfs/dbraw/zinc/99/30/22/537993022.db2.gz WHMSUMPXZYIIQN-SCSAIBSYSA-N 1 0 220.141 0.647 10 0 BCAERO CCCCOCCNC(=O)[C@H]1C[NH2+]C[C@H]1C ZINC000082559707 347829410 /nfs/dbraw/zinc/82/94/10/347829410.db2.gz DSLMWDZHYVDUKI-MNOVXSKESA-N 1 0 228.336 0.775 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)N(C)C[C@@H]1CCCOC1 ZINC000082545377 347792263 /nfs/dbraw/zinc/79/22/63/347792263.db2.gz LSFZPQFXQQNJTB-WDEREUQCSA-N 1 0 228.336 0.999 10 0 BCAERO Cc1ccccc1NC(=O)[C@@H]1C[NH2+][C@@H](C)CN1 ZINC000062814258 179301222 /nfs/dbraw/zinc/30/12/22/179301222.db2.gz ANBQGZDCBSIAPR-JQWIXIFHSA-N 1 0 233.315 0.883 10 0 BCAERO CC[C@H]([NH3+])CNc1cc(C)nc2ncnn21 ZINC000082579274 347857070 /nfs/dbraw/zinc/85/70/70/347857070.db2.gz VVHATHGMEUGNHU-QMMMGPOBSA-N 1 0 220.280 0.582 10 0 BCAERO CC[C@@H](O)C[NH2+][C@H]1CCC(=O)N[C@H]1C ZINC000308622943 347926883 /nfs/dbraw/zinc/92/68/83/347926883.db2.gz UUHVWTJUMCBDCR-YIZRAAEISA-N 1 0 200.282 0.014 10 0 BCAERO C[C@@H]1COC[C@H](C)N1C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000577375118 365937956 /nfs/dbraw/zinc/93/79/56/365937956.db2.gz SPXVRXJVADUHOC-YNFQOJQRSA-N 1 0 212.293 0.360 10 0 BCAERO COC(=O)[C@@H]1CCCN(C(=O)[C@H](C)[C@@H](C)[NH3+])C1 ZINC000593911755 347970131 /nfs/dbraw/zinc/97/01/31/347970131.db2.gz KESCVDUFENGTQF-OPRDCNLKSA-N 1 0 242.319 0.381 10 0 BCAERO COC(=O)[C@@H]1CCCN(C(=O)[C@H]2CC[NH2+]C2)C1 ZINC000593912193 347970784 /nfs/dbraw/zinc/97/07/84/347970784.db2.gz YHFJZDXFFDSHSU-VHSXEESVSA-N 1 0 240.303 0.008 10 0 BCAERO C[C@H](C[NH3+])CN1C(=O)c2ccccc2C1=O ZINC000036986836 347998305 /nfs/dbraw/zinc/99/83/05/347998305.db2.gz BYEAEFXYEFZJHF-MRVPVSSYSA-N 1 0 218.256 0.877 10 0 BCAERO CC[C@@H]1CCN(C(=O)CCOC)C[C@H]1[NH3+] ZINC000616570469 348066946 /nfs/dbraw/zinc/06/69/46/348066946.db2.gz MWXKNTPTSDXQSS-NXEZZACHSA-N 1 0 214.309 0.609 10 0 BCAERO CCC[C@H]([NH3+])C(=O)NCCC(=O)N[C@H](C)CC ZINC000038014985 348031975 /nfs/dbraw/zinc/03/19/75/348031975.db2.gz IPRVXQVOKPDKOJ-ZJUUUORDSA-N 1 0 243.351 0.535 10 0 BCAERO Cc1ccccc1[C@H](C[NH3+])N1CCNC(=O)[C@@H]1C ZINC000104142247 179342033 /nfs/dbraw/zinc/34/20/33/179342033.db2.gz XIVLJDUZWZALLW-AAEUAGOBSA-N 1 0 247.342 0.815 10 0 BCAERO c1cc(N2CC[NH2+]CC2)c2c([nH+]1)CCC2 ZINC000725244402 537997525 /nfs/dbraw/zinc/99/75/25/537997525.db2.gz NPKMTXFXVGIGQU-UHFFFAOYSA-N 1 0 203.289 0.980 10 0 BCAERO Cc1cccnc1C(=O)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000051813507 179361654 /nfs/dbraw/zinc/36/16/54/179361654.db2.gz KDHOPBJKGUCCOP-WDEREUQCSA-N 1 0 231.299 0.824 10 0 BCAERO CC(C)(C)[NH2+]C[C@@]1(O)CCNCC1(F)F ZINC000669381938 538000577 /nfs/dbraw/zinc/00/05/77/538000577.db2.gz AYNOKUHCDRNPPX-VIFPVBQESA-N 1 0 222.279 0.734 10 0 BCAERO C[C@H]1C[NH2+]C[C@]12CC1(CCC2=O)OCCO1 ZINC000725245016 538000601 /nfs/dbraw/zinc/00/06/01/538000601.db2.gz DESZJRBCRZCABX-GXSJLCMTSA-N 1 0 225.288 0.708 10 0 BCAERO Cc1cccnc1CNC(=O)[C@H]1C[NH2+]C[C@@H]1C ZINC000104208018 179382646 /nfs/dbraw/zinc/38/26/46/179382646.db2.gz PBUPAHASPJWQEG-QWRGUYRKSA-N 1 0 233.315 0.862 10 0 BCAERO [NH3+][C@@H](C(=O)NCCn1ccnc1)c1ccccc1 ZINC000041120044 187393476 /nfs/dbraw/zinc/39/34/76/187393476.db2.gz LLKSRQLHXHRDPJ-GFCCVEGCSA-N 1 0 244.298 0.699 10 0 BCAERO O=C([C@H]1CCC[NH2+]C1)N1CCO[C@@H]2CCC[C@@H]21 ZINC000162118498 362892344 /nfs/dbraw/zinc/89/23/44/362892344.db2.gz QOZDQMPPKINGDO-SDDRHHMPSA-N 1 0 238.331 0.766 10 0 BCAERO C[C@H]1CN(C[C@H]2CCC[NH2+]2)S(=O)(=O)C1 ZINC000251618198 362892625 /nfs/dbraw/zinc/89/26/25/362892625.db2.gz DULLKNLVYWAIIS-DTWKUNHWSA-N 1 0 218.322 0.020 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)N2CCCC[C@@H]2C[NH3+])O1 ZINC000088142050 362907319 /nfs/dbraw/zinc/90/73/19/362907319.db2.gz GGMHNGMVEDTHFZ-GMTAPVOTSA-N 1 0 226.320 0.894 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)N[C@@H]2CCC[NH2+]C2)O1 ZINC000088140594 362907928 /nfs/dbraw/zinc/90/79/28/362907928.db2.gz CTDLGIVTOLHGFS-OPRDCNLKSA-N 1 0 212.293 0.422 10 0 BCAERO CC[C@@H](C)[C@H]([NH3+])C(=O)NCc1cocn1 ZINC000397830690 362919976 /nfs/dbraw/zinc/91/99/76/362919976.db2.gz MVIHOHWIGFKLBD-APPZFPTMSA-N 1 0 211.265 0.664 10 0 BCAERO CC(C)N(C)C(=O)CN1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000250512261 187396670 /nfs/dbraw/zinc/39/66/70/187396670.db2.gz PFJMIBDPFVGVCC-RYUDHWBXSA-N 1 0 241.379 0.912 10 0 BCAERO CC(C)(C)[S@@](=O)CCNC(=O)C(C)(C)[NH3+] ZINC000236730789 187396804 /nfs/dbraw/zinc/39/68/04/187396804.db2.gz BFUICMRODUQCNI-HNNXBMFYSA-N 1 0 234.365 0.387 10 0 BCAERO COC(=O)[C@]1(C)O[C@@]1(C)CC[NH+](C)C ZINC000669382136 538003089 /nfs/dbraw/zinc/00/30/89/538003089.db2.gz AMYQWJUKJZUDQQ-UWVGGRQHSA-N 1 0 201.266 0.659 10 0 BCAERO COC[C@H](C)C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000237230954 187396079 /nfs/dbraw/zinc/39/60/79/187396079.db2.gz SOSPIKWGOFHUIO-VHSXEESVSA-N 1 0 214.309 0.609 10 0 BCAERO CC(C)S(=O)(=O)N1CC[C@H](C)[C@H]([NH3+])C1 ZINC000251798568 362922168 /nfs/dbraw/zinc/92/21/68/362922168.db2.gz XSNADDXJCMXAAI-DTWKUNHWSA-N 1 0 220.338 0.394 10 0 BCAERO CC(C)N1CCC(=O)[C@@]2(C[NH2+]C[C@H]2C)C1 ZINC000725245968 538005447 /nfs/dbraw/zinc/00/54/47/538005447.db2.gz OLVJWQYSFIUAGV-PWSUYJOCSA-N 1 0 210.321 0.895 10 0 BCAERO C[NH2+]C[C@@H](C)Nc1cncc(C(=O)OC)n1 ZINC000596032210 348427273 /nfs/dbraw/zinc/42/72/73/348427273.db2.gz JJTMWZCUYCIFEO-SSDOTTSWSA-N 1 0 224.264 0.283 10 0 BCAERO Cc1ccnc([S@](=O)[C@H]2CC[NH2+]C2)n1 ZINC000095069273 179470217 /nfs/dbraw/zinc/47/02/17/179470217.db2.gz GGYOYDOYFZPCRU-RTHLEPHNSA-N 1 0 211.290 0.255 10 0 BCAERO CCC(=O)Nc1ccn([C@@H]2CC[NH2+]C2)n1 ZINC000308772409 348470295 /nfs/dbraw/zinc/47/02/95/348470295.db2.gz VKIAKHQCVKLJIP-MRVPVSSYSA-N 1 0 208.265 0.766 10 0 BCAERO CC(C)(C)[C@H](O)C[NH2+]CCCS(C)(=O)=O ZINC000308778162 348547622 /nfs/dbraw/zinc/54/76/22/348547622.db2.gz BHRMYQIWYUWCBS-SECBINFHSA-N 1 0 237.365 0.418 10 0 BCAERO CC(C)(C)[C@@H](O)C[NH2+]CCCS(C)(=O)=O ZINC000308778163 348547640 /nfs/dbraw/zinc/54/76/40/348547640.db2.gz BHRMYQIWYUWCBS-VIFPVBQESA-N 1 0 237.365 0.418 10 0 BCAERO C[C@H]1C[NH2+][C@@H](C)[C@H](C)N1S(C)(=O)=O ZINC000401198644 348589403 /nfs/dbraw/zinc/58/94/03/348589403.db2.gz BXZHEZDGLYDPNC-FXQIFTODSA-N 1 0 206.311 0.017 10 0 BCAERO CN([C@H]1CCC[NH2+]C1)S(=O)(=O)C(F)F ZINC000037470052 348611113 /nfs/dbraw/zinc/61/11/13/348611113.db2.gz OPSHTRWIUKEWIZ-LURJTMIESA-N 1 0 228.264 0.223 10 0 BCAERO COC(=O)[C@@H]1CC[C@H](O)[C@]2(C[NH2+]C[C@@H]2C)C1 ZINC000725246225 538007466 /nfs/dbraw/zinc/00/74/66/538007466.db2.gz RNKHCUXQKLTXND-WYFGTUCQSA-N 1 0 227.304 0.546 10 0 BCAERO O=S1(=O)CCC2(C[NH2+]CC2(F)F)CC1 ZINC000725247273 538011276 /nfs/dbraw/zinc/01/12/76/538011276.db2.gz LTUWZNQOEMMQAI-UHFFFAOYSA-N 1 0 225.260 0.420 10 0 BCAERO COCc1nc([C@H]2CC[N@H+](C)C2)cc(=O)[nH]1 ZINC000669383881 538013710 /nfs/dbraw/zinc/01/37/10/538013710.db2.gz ZTNRZPQGUOBUJQ-QMMMGPOBSA-N 1 0 223.276 0.748 10 0 BCAERO C[NH2+][C@H](C)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000054076649 348879143 /nfs/dbraw/zinc/87/91/43/348879143.db2.gz IBHYTXWPKVCYTA-DTWKUNHWSA-N 1 0 201.314 0.051 10 0 BCAERO COC(=O)CCNC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054308872 348975170 /nfs/dbraw/zinc/97/51/70/348975170.db2.gz MMUOPCWVUSIZFV-VIFPVBQESA-N 1 0 228.292 0.055 10 0 BCAERO CCNC(=O)[C@H](C)NC(=O)C[C@H]1CCC[NH2+]C1 ZINC000054291543 348963397 /nfs/dbraw/zinc/96/33/97/348963397.db2.gz NEUUOAIANGMRAD-VHSXEESVSA-N 1 0 241.335 0.017 10 0 BCAERO COC[C@H](C)CNC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054292429 348963928 /nfs/dbraw/zinc/96/39/28/348963928.db2.gz KNBOZKJUORJZQP-MNOVXSKESA-N 1 0 228.336 0.775 10 0 BCAERO CC[S@](=O)N1[C@H](C)C[NH2+][C@@H](C)[C@H]1C ZINC000401224153 349042979 /nfs/dbraw/zinc/04/29/79/349042979.db2.gz CGGXUKGIJDOBPE-VXFNFUGZSA-N 1 0 204.339 0.741 10 0 BCAERO COC(=O)/C=C/C(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000616573355 349069658 /nfs/dbraw/zinc/06/96/58/349069658.db2.gz XUGVRYJRZHTFIM-NUNSBDKSSA-N 1 0 238.287 0.069 10 0 BCAERO CCOC(=O)CC(=O)N[C@H]1CC[C@@H]([NH3+])CC1 ZINC000616573788 349072797 /nfs/dbraw/zinc/07/27/97/349072797.db2.gz TWGWGXGNEKXRKM-DTORHVGOSA-N 1 0 228.292 0.326 10 0 BCAERO C[NH+]1CCC(C(=O)N[C@]23CC[C@@H]2C[NH2+]C3)CC1 ZINC000616573740 349073117 /nfs/dbraw/zinc/07/31/17/349073117.db2.gz SPLLOWMPCZQWIZ-YPMHNXCESA-N 1 0 237.347 0.196 10 0 BCAERO O=c1ccn([C@@H]2C[NH+]3CCC2CC3)c(=O)[nH]1 ZINC000616575282 349082792 /nfs/dbraw/zinc/08/27/92/349082792.db2.gz YPFDCYMUUNHBTR-SECBINFHSA-N 1 0 221.260 0.216 10 0 BCAERO CC1CC[NH+](CCn2ncc(N)n2)CC1 ZINC000725250232 538024666 /nfs/dbraw/zinc/02/46/66/538024666.db2.gz CGVBCNYSUVQCIL-UHFFFAOYSA-N 1 0 209.297 0.592 10 0 BCAERO O[C@@]1(COc2ccc(F)cc2)C[NH2+]CCOC1 ZINC000616576131 349100808 /nfs/dbraw/zinc/10/08/08/349100808.db2.gz RBCYCORAXLXULJ-LBPRGKRZSA-N 1 0 241.262 0.555 10 0 BCAERO CN(c1ccc(F)cc1C[NH3+])S(C)(=O)=O ZINC000220306457 538024803 /nfs/dbraw/zinc/02/48/03/538024803.db2.gz QKMWJYPGJHYIHL-UHFFFAOYSA-N 1 0 232.280 0.680 10 0 BCAERO CC[C@@H]1CC[NH2+]C[C@@H]1NC(=O)CCOC ZINC000616572599 349061883 /nfs/dbraw/zinc/06/18/83/349061883.db2.gz WWRQGITXPGQQMI-ZJUUUORDSA-N 1 0 214.309 0.527 10 0 BCAERO CC[C@@H]1CCN(C(=O)C2CCOCC2)C[C@H]1[NH3+] ZINC000616573049 349064535 /nfs/dbraw/zinc/06/45/35/349064535.db2.gz YQHKZYFUBJNTPA-ZYHUDNBSSA-N 1 0 240.347 0.999 10 0 BCAERO CC[C@@H]1CCN(C(=O)C2CCOCC2)C[C@@H]1[NH3+] ZINC000616573048 349064611 /nfs/dbraw/zinc/06/46/11/349064611.db2.gz YQHKZYFUBJNTPA-PWSUYJOCSA-N 1 0 240.347 0.999 10 0 BCAERO C[C@@H]1C[C@H](NC(=O)[C@@]2(C)CCC[NH2+]2)CO1 ZINC000402015308 349146504 /nfs/dbraw/zinc/14/65/04/349146504.db2.gz CRWUPDVYOCQOAX-WCABBAIRSA-N 1 0 212.293 0.422 10 0 BCAERO C[NH2+][C@@H](C)C[C@@H](C)n1cc(S(C)(=O)=O)cn1 ZINC000725251763 538032059 /nfs/dbraw/zinc/03/20/59/538032059.db2.gz GQQWCKPKQQNSIC-DTWKUNHWSA-N 1 0 245.348 0.846 10 0 BCAERO O=C1[C@@H]2CC=CC[C@H]2C(=O)N1CC[C@H]1CC[NH2+]C1 ZINC000250833168 349180418 /nfs/dbraw/zinc/18/04/18/349180418.db2.gz JWELQEITNWEBEN-IJLUTSLNSA-N 1 0 248.326 0.937 10 0 BCAERO C[C@@H]1CC[C@@H](n2cc(S(C)(=O)=O)cn2)C[NH2+]1 ZINC000725251911 538032194 /nfs/dbraw/zinc/03/21/94/538032194.db2.gz HTYLVAMLBJGZQE-RKDXNWHRSA-N 1 0 243.332 0.600 10 0 BCAERO C[C@@H]1C[NH2+]CC[C@@H]1n1cc(S(C)(=O)=O)cn1 ZINC000725252030 538032266 /nfs/dbraw/zinc/03/22/66/538032266.db2.gz JQMLHFUDPTXFST-SCZZXKLOSA-N 1 0 243.332 0.457 10 0 BCAERO C[C@H]1CC[C@H](n2cc(S(C)(=O)=O)cn2)C[NH2+]1 ZINC000725251909 538032470 /nfs/dbraw/zinc/03/24/70/538032470.db2.gz HTYLVAMLBJGZQE-IUCAKERBSA-N 1 0 243.332 0.600 10 0 BCAERO C[C@H](C[C@H](C)[NH3+])n1cc(S(C)(=O)=O)cn1 ZINC000725252047 538031743 /nfs/dbraw/zinc/03/17/43/538031743.db2.gz JUZMOSXEMVLVLK-JGVFFNPUSA-N 1 0 231.321 0.585 10 0 BCAERO C[NH2+][C@@H](Cn1cc(S(C)(=O)=O)cn1)C1CC1 ZINC000725252230 538033449 /nfs/dbraw/zinc/03/34/49/538033449.db2.gz KZZIXLCZOBPXGF-JTQLQIEISA-N 1 0 243.332 0.285 10 0 BCAERO CS(=O)(=O)c1cnn([C@H]2CCCC[C@H]2[NH3+])c1 ZINC000725252251 538033813 /nfs/dbraw/zinc/03/38/13/538033813.db2.gz LBZPVXHIMDQBLN-ZJUUUORDSA-N 1 0 243.332 0.729 10 0 BCAERO Cc1ccc(OC[C@@]2(O)C[NH2+]CCOC2)cc1 ZINC000616580123 349246153 /nfs/dbraw/zinc/24/61/53/349246153.db2.gz VCZTYRXBUQYBRZ-CYBMUJFWSA-N 1 0 237.299 0.725 10 0 BCAERO C[C@H]1C[NH2+]C[C@@H](n2cc(S(C)(=O)=O)cn2)C1 ZINC000725253429 538037053 /nfs/dbraw/zinc/03/70/53/538037053.db2.gz VIKBLAICZUCSRT-BDAKNGLRSA-N 1 0 243.332 0.457 10 0 BCAERO CC[NH2+][C@@H](C)Cn1cc(S(C)(=O)=O)cn1 ZINC000725253413 538037149 /nfs/dbraw/zinc/03/71/49/538037149.db2.gz VCXYRVPTEKPYFO-QMMMGPOBSA-N 1 0 231.321 0.285 10 0 BCAERO C[C@@H]1C[C@@H](NC(=O)C2(C[NH3+])CCOCC2)CO1 ZINC000402052251 349278098 /nfs/dbraw/zinc/27/80/98/349278098.db2.gz NLAUWIGORRUHQV-NXEZZACHSA-N 1 0 242.319 0.036 10 0 BCAERO CC(C)C(=[NH2+])N1C[C@@H](C)O[C@H](CO)C1 ZINC000299901826 349334539 /nfs/dbraw/zinc/33/45/39/349334539.db2.gz BVMGYUTUSHGIDH-BDAKNGLRSA-N 1 0 200.282 0.701 10 0 BCAERO CC(C)S(=O)(=O)CCN1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000261535199 535095319 /nfs/dbraw/zinc/09/53/19/535095319.db2.gz WEZUHLASTJCYOB-WDEREUQCSA-N 1 0 248.392 0.479 10 0 BCAERO Cc1nc(C)c(C(=O)N2CCC[C@@H]2C[NH3+])o1 ZINC000132879923 179899476 /nfs/dbraw/zinc/89/94/76/179899476.db2.gz HRUXSAWXESGVMR-SECBINFHSA-N 1 0 223.276 0.855 10 0 BCAERO COC(=O)[C@H](Cc1ccccc1)NC(=O)C[N+]#N ZINC000256169997 349383911 /nfs/dbraw/zinc/38/39/11/349383911.db2.gz NRMULSJMFPZIST-JTQLQIEISA-N 1 0 247.254 0.188 10 0 BCAERO O=c1[nH]c2c(c(=O)n1-c1ccccc1)C[NH2+]CC2 ZINC000085347717 191008806 /nfs/dbraw/zinc/00/88/06/191008806.db2.gz RKSQQLRRKOEJTI-UHFFFAOYSA-N 1 0 243.266 0.172 10 0 BCAERO C[C@@]1(NC(=[NH2+])C2CC2)CCS(=O)(=O)C1 ZINC000062992535 350112861 /nfs/dbraw/zinc/11/28/61/350112861.db2.gz YRASEJIRYXKZRK-SECBINFHSA-N 1 0 216.306 0.540 10 0 BCAERO C1CC1n1nnnc1S[C@@H]1CC[NH2+]C1 ZINC000051783989 350110803 /nfs/dbraw/zinc/11/08/03/350110803.db2.gz SPOJEFKILBMKRI-SSDOTTSWSA-N 1 0 211.294 0.462 10 0 BCAERO CC(C)C(=[NH2+])N[C@]1(C)CCS(=O)(=O)C1 ZINC000062992532 350112451 /nfs/dbraw/zinc/11/24/51/350112451.db2.gz KEWKFNVVTKRYJA-SECBINFHSA-N 1 0 218.322 0.786 10 0 BCAERO CC(C)C(=[NH2+])N[C@@]1(C)CCS(=O)(=O)C1 ZINC000062992533 350112488 /nfs/dbraw/zinc/11/24/88/350112488.db2.gz KEWKFNVVTKRYJA-VIFPVBQESA-N 1 0 218.322 0.786 10 0 BCAERO CO[C@@H]1CC[NH2+]C[C@H]1CC(=O)N(C)C ZINC000616591646 350097592 /nfs/dbraw/zinc/09/75/92/350097592.db2.gz PMNBRKUOWVHDAE-RKDXNWHRSA-N 1 0 200.282 0.089 10 0 BCAERO c1[nH]nc2c1cccc2NC1=[NH+]CCN1 ZINC000089200493 191020965 /nfs/dbraw/zinc/02/09/65/191020965.db2.gz SZQXHDWOBFSIRH-UHFFFAOYSA-N 1 0 201.233 0.934 10 0 BCAERO [NH3+]C1([C@H]2CCCO2)CCS(=O)(=O)CC1 ZINC000725255209 538050819 /nfs/dbraw/zinc/05/08/19/538050819.db2.gz WIHXLQNOGDACJM-MRVPVSSYSA-N 1 0 219.306 0.072 10 0 BCAERO CN(c1ccc(C[NH3+])cc1F)S(C)(=O)=O ZINC000725256261 538056970 /nfs/dbraw/zinc/05/69/70/538056970.db2.gz ZQLJYKHEHZOTEX-UHFFFAOYSA-N 1 0 232.280 0.680 10 0 BCAERO Cc1ccnn1[C@H]1CC[C@@]([NH3+])(C(N)=O)C1 ZINC000725256349 538055271 /nfs/dbraw/zinc/05/52/71/538055271.db2.gz GEFNTNAFTVKVLB-WPRPVWTQSA-N 1 0 208.265 0.099 10 0 BCAERO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1S(N)(=O)=O ZINC000050349827 538056184 /nfs/dbraw/zinc/05/61/84/538056184.db2.gz FUFSBTQTPLWWLR-CSMHCCOUSA-N 1 0 206.311 0.004 10 0 BCAERO CC(C)(C)[C@H](O)C[NH2+]CCNC(=O)C1CC1 ZINC000304209348 350144375 /nfs/dbraw/zinc/14/43/75/350144375.db2.gz DPYGAJFVNPOEGW-SNVBAGLBSA-N 1 0 228.336 0.509 10 0 BCAERO COCCN(C)CC[NH2+]C[C@H](O)C(C)(C)C ZINC000304223192 350145191 /nfs/dbraw/zinc/14/51/91/350145191.db2.gz IEVODFXBYGECIT-NSHDSACASA-N 1 0 232.368 0.561 10 0 BCAERO [NH3+]Cc1cccc2c1C[C@H](C(=O)[O-])[NH2+]C2 ZINC000725255600 538053554 /nfs/dbraw/zinc/05/35/54/538053554.db2.gz FTKBDDGMAHENDE-SNVBAGLBSA-N 1 0 206.245 0.244 10 0 BCAERO C[NH2+][C@H](C)CNc1ccc(C(=O)OC)nn1 ZINC000304229309 350145904 /nfs/dbraw/zinc/14/59/04/350145904.db2.gz AGVMDCGHADPQDI-SSDOTTSWSA-N 1 0 224.264 0.283 10 0 BCAERO CC(C)(C[NH3+])C(=O)NC[C@@H]1CCC[C@@H]1O ZINC000133071680 191036864 /nfs/dbraw/zinc/03/68/64/191036864.db2.gz SKCMTEMQEYSIKY-IUCAKERBSA-N 1 0 214.309 0.249 10 0 BCAERO CCC[C@@]1(C)[C@H]([NH3+])CS(=O)(=O)N1CC ZINC000725256636 538057899 /nfs/dbraw/zinc/05/78/99/538057899.db2.gz ZKUPQJAMEXKVQB-BDAKNGLRSA-N 1 0 220.338 0.538 10 0 BCAERO NC(=O)c1csc(C[NH2+]CC2CC(O)C2)c1 ZINC000086573784 490348734 /nfs/dbraw/zinc/34/87/34/490348734.db2.gz BHDUJOREPUNRTG-UHFFFAOYSA-N 1 0 240.328 0.708 10 0 BCAERO CN1C2(CCCCC2)[C@H]([NH3+])CS1(=O)=O ZINC000725256597 538058448 /nfs/dbraw/zinc/05/84/48/538058448.db2.gz XCDWFEWWXFBTRG-MRVPVSSYSA-N 1 0 218.322 0.292 10 0 BCAERO Cc1nc2ccccc2n1C[C@@H](O)C[NH3+] ZINC000019278883 180103688 /nfs/dbraw/zinc/10/36/88/180103688.db2.gz RIOYFCZESFZMQO-VIFPVBQESA-N 1 0 205.261 0.664 10 0 BCAERO CC[C@@H]([NH3+])c1nc(-c2ccnn2C)cc(=O)[nH]1 ZINC000725257511 538063568 /nfs/dbraw/zinc/06/35/68/538063568.db2.gz RUPVLBPSBIVZLZ-SSDOTTSWSA-N 1 0 233.275 0.993 10 0 BCAERO C[C@H]([NH3+])Cc1nc(-c2ccnn2C)cc(=O)[nH]1 ZINC000725257632 538065161 /nfs/dbraw/zinc/06/51/61/538065161.db2.gz UDVXGBAJYPVIBN-ZETCQYMHSA-N 1 0 233.275 0.472 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N[C@@H]1CO[C@H](C)C1 ZINC000402333066 350179815 /nfs/dbraw/zinc/17/98/15/350179815.db2.gz OBUAUPSDFIWKOU-VGMNWLOBSA-N 1 0 200.282 0.407 10 0 BCAERO C[C@@H]1C[NH+](CCSC[C@@H](O)CO)C[C@@H](C)O1 ZINC000314213663 350169061 /nfs/dbraw/zinc/16/90/61/350169061.db2.gz QHHPMKBQQPAGRY-MXWKQRLJSA-N 1 0 249.376 0.182 10 0 BCAERO C[C@@H]1C[N@@H+](CCSC[C@@H](O)CO)C[C@H](C)O1 ZINC000314213658 350169110 /nfs/dbraw/zinc/16/91/10/350169110.db2.gz QHHPMKBQQPAGRY-AXFHLTTASA-N 1 0 249.376 0.182 10 0 BCAERO Cc1ncc(C[NH2+][C@H]2CCS(=O)(=O)C2)s1 ZINC000037505452 180158587 /nfs/dbraw/zinc/15/85/87/180158587.db2.gz GGWPQEVKXMHHBN-QMMMGPOBSA-N 1 0 246.357 0.728 10 0 BCAERO Cc1ncc(CN2C[C@H]([NH3+])CC2=O)s1 ZINC000049534624 180146183 /nfs/dbraw/zinc/14/61/83/180146183.db2.gz FENFDFKOXGHQAN-SSDOTTSWSA-N 1 0 211.290 0.511 10 0 BCAERO C[C@H]1[C@@H]([NH3+])CCN1c1ncnc2c1CCC2 ZINC000309209415 350191407 /nfs/dbraw/zinc/19/14/07/350191407.db2.gz NIZZJEPFFXLOBD-WPRPVWTQSA-N 1 0 218.304 0.891 10 0 BCAERO Cc1nccc(C[NH2+][C@@H](C)CC(N)=O)n1 ZINC000129289555 180191583 /nfs/dbraw/zinc/19/15/83/180191583.db2.gz KAEJXKJTCGOWJJ-ZETCQYMHSA-N 1 0 208.265 0.139 10 0 BCAERO Cc1nccc(C[NH2+][C@@H]2CCCN(C)C2)n1 ZINC000054790818 180191935 /nfs/dbraw/zinc/19/19/35/180191935.db2.gz DHXJUIUPPXXSJC-GFCCVEGCSA-N 1 0 220.320 0.969 10 0 BCAERO C[C@@H]1C[C@@H](NC(=O)[C@@H]2C[NH2+]C[C@H]2C)CO1 ZINC000402369829 350217779 /nfs/dbraw/zinc/21/77/79/350217779.db2.gz XWWAUGCRBLVGGQ-ZYUZMQFOSA-N 1 0 212.293 0.136 10 0 BCAERO Cc1nccc(CN2CC[NH2+][C@@H](C)CC2)n1 ZINC000045007787 180184036 /nfs/dbraw/zinc/18/40/36/180184036.db2.gz QAPALNOXPDSVLZ-JTQLQIEISA-N 1 0 220.320 0.969 10 0 BCAERO Cc1nccc([C@@H]2[C@H](C[NH3+])CCN2C)n1 ZINC000082933169 180208541 /nfs/dbraw/zinc/20/85/41/180208541.db2.gz UYFRNYQCSGTKKZ-ONGXEEELSA-N 1 0 206.293 0.737 10 0 BCAERO CN(C)C(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725258268 538072708 /nfs/dbraw/zinc/07/27/08/538072708.db2.gz MHFOXLAHGLPZCO-UHFFFAOYSA-N 1 0 209.253 0.121 10 0 BCAERO C[C@H](C(N)=O)[N@@H+]1CCS[C@@H](C)[C@@H]1C ZINC000222058977 350229538 /nfs/dbraw/zinc/22/95/38/350229538.db2.gz HJCBUCZEQDFKAF-RNJXMRFFSA-N 1 0 202.323 0.686 10 0 BCAERO CC1(C)CCN1C(=O)[C@H]1CSCN1 ZINC000236910325 350230357 /nfs/dbraw/zinc/23/03/57/350230357.db2.gz ZJKRIMMCSPKENR-SSDOTTSWSA-N 1 0 200.307 0.660 10 0 BCAERO CC(C)(C)OC(=O)N1CCNC[C@H]1C[NH3+] ZINC000159449314 350238383 /nfs/dbraw/zinc/23/83/83/350238383.db2.gz AZKGEYCZNWUTNK-MRVPVSSYSA-N 1 0 215.297 0.154 10 0 BCAERO NCC(F)(F)CNc1ccnn1C1C[NH2+]C1 ZINC000725258622 538075775 /nfs/dbraw/zinc/07/57/75/538075775.db2.gz VHZYWNCWQFFEBA-UHFFFAOYSA-N 1 0 231.250 0.033 10 0 BCAERO CC(C)NC(=S)Nc1ccnn1C1C[NH2+]C1 ZINC000725258646 538075802 /nfs/dbraw/zinc/07/58/02/538075802.db2.gz VTOANXMJPYAWOZ-UHFFFAOYSA-N 1 0 239.348 0.722 10 0 BCAERO Cc1nc(CN2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)no1 ZINC000309271391 350248228 /nfs/dbraw/zinc/24/82/28/350248228.db2.gz DCOHICGRZBSUAB-LPEHRKFASA-N 1 0 222.292 0.547 10 0 BCAERO Nc1ccc(CNc2ccnn2C2C[NH2+]C2)nc1 ZINC000725258774 538077504 /nfs/dbraw/zinc/07/75/04/538077504.db2.gz ZNBRCZAQUGEWEP-UHFFFAOYSA-N 1 0 244.302 0.617 10 0 BCAERO Cc1nccn1CCO[C@H]1CCC[NH2+]C1 ZINC000049330816 180262930 /nfs/dbraw/zinc/26/29/30/180262930.db2.gz KHROLNOCLQYYOB-NSHDSACASA-N 1 0 209.293 0.960 10 0 BCAERO Cc1nccn1[C@@H](C)C(=O)N1CC[NH2+]CC1 ZINC000019429383 180270755 /nfs/dbraw/zinc/27/07/55/180270755.db2.gz CNVKRQKSMMMQSK-VIFPVBQESA-N 1 0 222.292 0.184 10 0 BCAERO Cc1ncnc(N2CCC[NH2+]CC2)c1C ZINC000045951043 180290986 /nfs/dbraw/zinc/29/09/86/180290986.db2.gz PGRNYDCJANEJQC-UHFFFAOYSA-N 1 0 206.293 0.893 10 0 BCAERO Cc1nccnc1[S@@](=O)C[C@@H]1CCC[NH2+]C1 ZINC000095068795 180283763 /nfs/dbraw/zinc/28/37/63/180283763.db2.gz UFMDNADIPVDCIE-QLJPJBMISA-N 1 0 239.344 0.892 10 0 BCAERO Cc1nccnc1[S@](=O)[C@H]1CC[NH2+]C1 ZINC000095068780 180285710 /nfs/dbraw/zinc/28/57/10/180285710.db2.gz IHDXXSHVTNBVTC-RTHLEPHNSA-N 1 0 211.290 0.255 10 0 BCAERO NC(=O)[C@]1(N)CCC[N@H+](Cc2ccccc2)C1 ZINC000037870597 350294793 /nfs/dbraw/zinc/29/47/93/350294793.db2.gz YYPNAVMGDFZQPN-ZDUSSCGKSA-N 1 0 233.315 0.465 10 0 BCAERO Cc1ncsc1CCOC[C@H](O)C[NH3+] ZINC000019392588 180311764 /nfs/dbraw/zinc/31/17/64/180311764.db2.gz RLAAPXZWKINAJM-MRVPVSSYSA-N 1 0 216.306 0.330 10 0 BCAERO C[C@H]1CSCCN1C[C@@]1([NH3+])CCOC1 ZINC000224814218 350341471 /nfs/dbraw/zinc/34/14/71/350341471.db2.gz CMOSJKYOCLHGDT-UWVGGRQHSA-N 1 0 216.350 0.542 10 0 BCAERO COCCNC(=O)N[C@@]12CC[NH2+][C@@H]1CCCC2 ZINC000725264173 538090593 /nfs/dbraw/zinc/09/05/93/538090593.db2.gz FEZXIFKZEOJQJT-PWSUYJOCSA-N 1 0 241.335 0.607 10 0 BCAERO C[C@@H]1COC[C@H](C)N1C(=O)CCCC[NH3+] ZINC000309386477 350366646 /nfs/dbraw/zinc/36/66/46/350366646.db2.gz FDDXBHGDNLPYMX-AOOOYVTPSA-N 1 0 214.309 0.751 10 0 BCAERO Cc1ncsc1[C@@H](C)[NH2+][C@@H](C)C(N)=O ZINC000037261522 180326528 /nfs/dbraw/zinc/32/65/28/180326528.db2.gz CMSUUNNFOIXUDQ-RQJHMYQMSA-N 1 0 213.306 0.976 10 0 BCAERO Cc1nn(-c2ccc(NN)[nH+]n2)c(C)c1N ZINC000033865604 180329217 /nfs/dbraw/zinc/32/92/17/180329217.db2.gz DOJSQOIVZKGPED-UHFFFAOYSA-N 1 0 219.252 0.147 10 0 BCAERO CO[C@H]1C[C@@H](CO)[N@H+](CCOC2CCC2)C1 ZINC000347175314 133810999 /nfs/dbraw/zinc/81/09/99/133810999.db2.gz CVJAXOYBACTBKH-JQWIXIFHSA-N 1 0 229.320 0.637 10 0 BCAERO Cc1ncsc1CNC(=O)[C@H]1CC[NH2+]C1 ZINC000070837517 180319911 /nfs/dbraw/zinc/31/99/11/180319911.db2.gz IZVFBFMYDXYAJR-QMMMGPOBSA-N 1 0 225.317 0.677 10 0 BCAERO COCCNC(=O)N1CC[C@]2([NH3+])CCCC[C@@H]12 ZINC000725264501 538091858 /nfs/dbraw/zinc/09/18/58/538091858.db2.gz RQZSXWGWRRAZRW-ZYHUDNBSSA-N 1 0 241.335 0.688 10 0 BCAERO Cc1nn(C)c(C)c1[C@@H]1CCCN1CC(N)=O ZINC000105894937 180346885 /nfs/dbraw/zinc/34/68/85/180346885.db2.gz SLNDYFMRSJFLCR-JTQLQIEISA-N 1 0 236.319 0.659 10 0 BCAERO Cc1nn(C)c(N[C@H]2CC[N@@H+]3CCC[C@H]23)c1N ZINC000049564659 180360274 /nfs/dbraw/zinc/36/02/74/180360274.db2.gz ZHBCPXZIVHGIGN-VHSXEESVSA-N 1 0 235.335 0.959 10 0 BCAERO Cc1nn(C)c(N(C)CCO)c1C[NH2+]C(C)C ZINC000037899534 180351009 /nfs/dbraw/zinc/35/10/09/180351009.db2.gz BVHZJUYGKNNTEG-UHFFFAOYSA-N 1 0 240.351 0.655 10 0 BCAERO CCC[NH2+][C@@H](CNC(=O)OC(C)(C)C)C(N)=O ZINC000226219518 350409231 /nfs/dbraw/zinc/40/92/31/350409231.db2.gz GFLYRNAJZOJHCM-QMMMGPOBSA-N 1 0 245.323 0.365 10 0 BCAERO Cc1nn(C)c(N2C[C@H](C)OC[C@@H]2C)c1C[NH3+] ZINC000035788617 180356554 /nfs/dbraw/zinc/35/65/54/180356554.db2.gz WXRMPWPXNSLGCJ-IUCAKERBSA-N 1 0 238.335 0.801 10 0 BCAERO Cc1nn(C)c(N2CCO[C@@H](C)C2)c1C[NH3+] ZINC000020469607 180357445 /nfs/dbraw/zinc/35/74/45/180357445.db2.gz FMDSYZAWMNZOBX-QMMMGPOBSA-N 1 0 224.308 0.412 10 0 BCAERO Cc1nn(C)c(NCC[NH+]2CCCC2)c1N ZINC000054112265 180358504 /nfs/dbraw/zinc/35/85/04/180358504.db2.gz SODNNOLOKWVGRC-UHFFFAOYSA-N 1 0 223.324 0.818 10 0 BCAERO Cc1nn(C)c(C)c1CN1CCC[C@H]([NH3+])C1=O ZINC000076683299 180337917 /nfs/dbraw/zinc/33/79/17/180337917.db2.gz PYTCYLCCUQDHPV-NSHDSACASA-N 1 0 236.319 0.487 10 0 BCAERO COCCNC(=O)N1CC[C@@]2([NH3+])CCCC[C@H]12 ZINC000725264499 538091653 /nfs/dbraw/zinc/09/16/53/538091653.db2.gz RQZSXWGWRRAZRW-JQWIXIFHSA-N 1 0 241.335 0.688 10 0 BCAERO CC[C@@H]1C[C@]2(CCO1)OC[C@@H](C[NH3+])O2 ZINC000226772054 350453968 /nfs/dbraw/zinc/45/39/68/350453968.db2.gz BKGVAYFDXKWANK-OPRDCNLKSA-N 1 0 201.266 0.646 10 0 BCAERO Cc1nn(C)cc1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000226228048 180369076 /nfs/dbraw/zinc/36/90/76/180369076.db2.gz VBODOTKOYYVWOU-ZACCUICWSA-N 1 0 248.330 0.741 10 0 BCAERO Cc1ccnc(-c2cnnn2[C@H]2CCC[NH2+]C2)n1 ZINC000725266101 538093645 /nfs/dbraw/zinc/09/36/45/538093645.db2.gz MLEFUSSFZFIMHL-JTQLQIEISA-N 1 0 244.302 0.968 10 0 BCAERO Cc1cnc(-c2cnnn2[C@H]2CCC[NH2+]C2)nc1 ZINC000725265962 538093745 /nfs/dbraw/zinc/09/37/45/538093745.db2.gz BGFTZDVMHWNTEY-JTQLQIEISA-N 1 0 244.302 0.968 10 0 BCAERO Cc1cnc(-c2cnnn2[C@@H]2CC[NH2+]C2)nc1 ZINC000725266150 538093812 /nfs/dbraw/zinc/09/38/12/538093812.db2.gz QEGLASATABXQQA-SECBINFHSA-N 1 0 230.275 0.578 10 0 BCAERO Cn1cncc1-c1cnnn1[C@H]1CCC[NH2+]CC1 ZINC000725266160 538093888 /nfs/dbraw/zinc/09/38/88/538093888.db2.gz RGCCILGNIDCPCE-JTQLQIEISA-N 1 0 246.318 0.993 10 0 BCAERO Cc1nn(C[C@@](C)([NH3+])C(N)=O)c(C)c1C ZINC000045438043 180391202 /nfs/dbraw/zinc/39/12/02/180391202.db2.gz CXLKKVJQHFXBLZ-SNVBAGLBSA-N 1 0 210.281 0.011 10 0 BCAERO Cc1nn(CCS(C)(=O)=O)c(C)c1[C@@H](C)[NH3+] ZINC000054716549 180389393 /nfs/dbraw/zinc/38/93/93/180389393.db2.gz ZBYDSCYDIPKGGG-SSDOTTSWSA-N 1 0 245.348 0.564 10 0 BCAERO Cc1ccnc(-c2cnnn2[C@@H]2CCC[NH2+]C2)n1 ZINC000725266102 538094363 /nfs/dbraw/zinc/09/43/63/538094363.db2.gz MLEFUSSFZFIMHL-SNVBAGLBSA-N 1 0 244.302 0.968 10 0 BCAERO Cc1nn(C[C@H](C)C(N)=O)c(C)c1C[NH3+] ZINC000036868321 180390361 /nfs/dbraw/zinc/39/03/61/180390361.db2.gz MIJZRFCPLNYYLC-LURJTMIESA-N 1 0 210.281 0.080 10 0 BCAERO Cc1nnc(CN2CCCC[C@@H]2C[NH3+])n1C ZINC000044557504 180405505 /nfs/dbraw/zinc/40/55/05/180405505.db2.gz FRQFIGMLAAYSPY-SNVBAGLBSA-N 1 0 223.324 0.437 10 0 BCAERO Cc1nnc(N(CCO)C2CC2)c(C[NH3+])c1C ZINC000042477994 180422303 /nfs/dbraw/zinc/42/23/03/180422303.db2.gz PYLLNVRQTVCTQW-UHFFFAOYSA-N 1 0 236.319 0.513 10 0 BCAERO Cc1ccnc(-c2cnnn2C2CC[NH2+]CC2)n1 ZINC000725266197 538095710 /nfs/dbraw/zinc/09/57/10/538095710.db2.gz WCXKWDZXMAFITA-UHFFFAOYSA-N 1 0 244.302 0.968 10 0 BCAERO [NH3+]CCN1CCO[C@H](c2ccncc2)CC1 ZINC000616593779 350585347 /nfs/dbraw/zinc/58/53/47/350585347.db2.gz LLJCBLXNAFGKRU-LBPRGKRZSA-N 1 0 221.304 0.804 10 0 BCAERO [NH3+]CCN1CCO[C@H](c2c[nH]cn2)CC1 ZINC000616595222 350606100 /nfs/dbraw/zinc/60/61/00/350606100.db2.gz UDXLAJWPXWJBIQ-JTQLQIEISA-N 1 0 210.281 0.132 10 0 BCAERO [NH3+]CCN1CCO[C@@H](c2cccnn2)CC1 ZINC000616594180 350592266 /nfs/dbraw/zinc/59/22/66/350592266.db2.gz DCAGGFIRDBKQMS-LLVKDONJSA-N 1 0 222.292 0.199 10 0 BCAERO C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CCCC[C@@H]2O)C1 ZINC000386353452 362971074 /nfs/dbraw/zinc/97/10/74/362971074.db2.gz UZGROFRTXREACA-SRVKXCTJSA-N 1 0 240.347 0.605 10 0 BCAERO Cc1nnc2sc(-c3cc[n+](C)cc3)nn12 ZINC000226773709 180450996 /nfs/dbraw/zinc/45/09/96/180450996.db2.gz LKEZKRGRPXOHEK-UHFFFAOYSA-N 1 0 232.292 0.986 10 0 BCAERO Cc1nnc2sc(C3(C[NH3+])CC3)nn12 ZINC000082949429 180451026 /nfs/dbraw/zinc/45/10/26/180451026.db2.gz PRKRVWFDLRNWHV-UHFFFAOYSA-N 1 0 209.278 0.485 10 0 BCAERO C[N@@H+]1CCOC[C@@H](c2ccc(C(N)=O)cc2)C1 ZINC000616597190 350647567 /nfs/dbraw/zinc/64/75/67/350647567.db2.gz HQAOWXVHLQVLSP-LBPRGKRZSA-N 1 0 234.299 0.831 10 0 BCAERO [NH3+]CCN1CCCO[C@@H](n2ccnc2)C1 ZINC000616597276 350650306 /nfs/dbraw/zinc/65/03/06/350650306.db2.gz COMGHCNTOUIZMO-SNVBAGLBSA-N 1 0 210.281 0.063 10 0 BCAERO [NH3+]C[C@H]1CCCCCN1S(=O)(=O)C1CC1 ZINC000125066919 538098075 /nfs/dbraw/zinc/09/80/75/538098075.db2.gz WCRCDEYRPJZKDC-SECBINFHSA-N 1 0 232.349 0.682 10 0 BCAERO CC(C)S(=O)(=O)N1CCCCC[C@H]1C[NH3+] ZINC000125064778 538098082 /nfs/dbraw/zinc/09/80/82/538098082.db2.gz SBNABPPOMRHLGV-JTQLQIEISA-N 1 0 234.365 0.928 10 0 BCAERO Nc1cccc([C@H]2CCN(CC[NH3+])CCO2)c1 ZINC000616596147 350629754 /nfs/dbraw/zinc/62/97/54/350629754.db2.gz QHVFDSOKLVLIPD-CYBMUJFWSA-N 1 0 235.331 0.991 10 0 BCAERO OCC[N@@H+]1CCCO[C@@H](c2cn[nH]c2)C1 ZINC000616597461 350650866 /nfs/dbraw/zinc/65/08/66/350650866.db2.gz FZGAKWHDOIUDCI-SNVBAGLBSA-N 1 0 211.265 0.165 10 0 BCAERO [NH3+]CCN1CCO[C@@H](c2ccno2)CC1 ZINC000616596277 350632612 /nfs/dbraw/zinc/63/26/12/350632612.db2.gz VLUGRKPZFCVZGT-SECBINFHSA-N 1 0 211.265 0.397 10 0 BCAERO OCC[N@@H+]1CCO[C@@H](n2ccnc2)CC1 ZINC000616596479 350634062 /nfs/dbraw/zinc/63/40/62/350634062.db2.gz WMLGLGHJIZHRBE-SNVBAGLBSA-N 1 0 211.265 0.096 10 0 BCAERO C[C@H]([NH3+])CCNc1cnn(C)c(=O)c1Cl ZINC000167907277 350655263 /nfs/dbraw/zinc/65/52/63/350655263.db2.gz MEBRAAKHXZDIFE-LURJTMIESA-N 1 0 230.699 0.583 10 0 BCAERO Nc1ccc([C@H]2CN(CC[NH3+])CCCO2)cc1 ZINC000616598523 350675608 /nfs/dbraw/zinc/67/56/08/350675608.db2.gz MSNGOUZIDANQJE-CYBMUJFWSA-N 1 0 235.331 0.991 10 0 BCAERO Nc1cccc([C@H]2CN(CC[NH3+])CCCO2)c1 ZINC000616598567 350676359 /nfs/dbraw/zinc/67/63/59/350676359.db2.gz NRYVFDHTEQGGSK-CYBMUJFWSA-N 1 0 235.331 0.991 10 0 BCAERO COC[C@H](C)[NH2+][C@@H]1CCN(C(C)=O)C[C@H]1C ZINC000309551622 350748728 /nfs/dbraw/zinc/74/87/28/350748728.db2.gz ILAPCJHGDZSYTF-JFGNBEQYSA-N 1 0 228.336 0.868 10 0 BCAERO [NH3+]CCN1CCOCC[C@@H]1c1ccncc1 ZINC000616599122 350719250 /nfs/dbraw/zinc/71/92/50/350719250.db2.gz OQSUREBCZBUSAR-GFCCVEGCSA-N 1 0 221.304 0.804 10 0 BCAERO Nc1ncccc1[C@H]1C[N@H+](CCO)CCCO1 ZINC000616599292 350741980 /nfs/dbraw/zinc/74/19/80/350741980.db2.gz SLTCJSSVTZMHEV-LLVKDONJSA-N 1 0 237.303 0.420 10 0 BCAERO CC(=O)Nc1cccc([C@H]2C[NH2+]CCN2)c1 ZINC000616600904 350781181 /nfs/dbraw/zinc/78/11/81/350781181.db2.gz MWTKDKKHVVRRAW-GFCCVEGCSA-N 1 0 219.288 0.879 10 0 BCAERO [NH3+]CCN1CCCC[C@H](n2cccn2)C1 ZINC000616605260 350794145 /nfs/dbraw/zinc/79/41/45/350794145.db2.gz WNJKCOCJYKFWDQ-NSHDSACASA-N 1 0 208.309 0.869 10 0 BCAERO CC(C)[C@H](C)[N@@H+]1CCC[C@@](O)(CO)C1 ZINC000306674996 350823725 /nfs/dbraw/zinc/82/37/25/350823725.db2.gz RRVMSIZOPQFOQO-QWRGUYRKSA-N 1 0 201.310 0.850 10 0 BCAERO Nc1ncccc1[C@H]1CCN(CC[NH3+])C1 ZINC000616611312 350810696 /nfs/dbraw/zinc/81/06/96/350810696.db2.gz CCXSWKBCMJUCES-VIFPVBQESA-N 1 0 206.293 0.412 10 0 BCAERO CC[S@](C)(=O)=NC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000306679043 350834393 /nfs/dbraw/zinc/83/43/93/350834393.db2.gz AVTSKFZZYVPCEK-KXEKKFMESA-N 1 0 218.322 0.758 10 0 BCAERO CNC(=S)N[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000051976306 350835544 /nfs/dbraw/zinc/83/55/44/350835544.db2.gz AMTRKTUUVHNCEK-YUMQZZPRSA-N 1 0 201.339 0.421 10 0 BCAERO O=C1CSC(CCN2CCOCC2)=N1 ZINC000306689925 350844135 /nfs/dbraw/zinc/84/41/35/350844135.db2.gz AEGPMRRSVUMRDS-UHFFFAOYSA-N 1 0 214.290 0.723 10 0 BCAERO Cc1nn(C)cc1C(=O)[C@H]1CCC[NH2+]C1 ZINC000306698881 350847613 /nfs/dbraw/zinc/84/76/13/350847613.db2.gz CYINDUOSTQDFCT-VIFPVBQESA-N 1 0 207.277 0.911 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)O1 ZINC000382509514 350852789 /nfs/dbraw/zinc/85/27/89/350852789.db2.gz OBMODAMNFRQIDB-CHWFTXMASA-N 1 0 226.320 0.798 10 0 BCAERO [NH3+][C@H]1C[C@@H]1NC(=O)c1c[nH]c(Br)c1 ZINC000306710486 350859163 /nfs/dbraw/zinc/85/91/63/350859163.db2.gz TUJJIPRFDKBKTJ-WDSKDSINSA-N 1 0 244.092 0.607 10 0 BCAERO CC(C)[C@H](C)[NH+]1CCC(O)(CO)CC1 ZINC000306675178 350826158 /nfs/dbraw/zinc/82/61/58/350826158.db2.gz SAPHCXUSTSRGEC-JTQLQIEISA-N 1 0 201.310 0.850 10 0 BCAERO CS[C@@H]1C[NH2+]C[C@H]1N1CCOC[C@H]1C ZINC000251713800 350900728 /nfs/dbraw/zinc/90/07/28/350900728.db2.gz JOCRSVYDWSOYJE-OPRDCNLKSA-N 1 0 216.350 0.411 10 0 BCAERO C[C@H](C(N)=S)[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000251750995 350902651 /nfs/dbraw/zinc/90/26/51/350902651.db2.gz SILJKJDBGONGPF-BWZBUEFSSA-N 1 0 202.323 0.770 10 0 BCAERO CC[C@@H]1C[S@](=O)[C@@H]2COCC[C@H]2[NH2+]1 ZINC000251779378 350903390 /nfs/dbraw/zinc/90/33/90/350903390.db2.gz MZQXBIGXGDTSMJ-LHGDZMGGSA-N 1 0 203.307 0.274 10 0 BCAERO CC(C)[S@@](=O)N1CCC[C@@H]([NH3+])[C@H]1C ZINC000306733745 350903479 /nfs/dbraw/zinc/90/34/79/350903479.db2.gz NKZSQKKLUSKNKM-JRKPZEMJSA-N 1 0 204.339 0.870 10 0 BCAERO C[C@@H]1C[C@@H]2C[NH2+]C[C@H]2N1C(=O)C(F)(F)F ZINC000252177402 350909193 /nfs/dbraw/zinc/90/91/93/350909193.db2.gz SGNOFLHYSLBUQE-FSDSQADBSA-N 1 0 222.210 0.758 10 0 BCAERO C[C@@H]([NH3+])c1cnnn1Cc1cnns1 ZINC000306737838 350910139 /nfs/dbraw/zinc/91/01/39/350910139.db2.gz ZLWPCWOJYHTNCL-RXMQYKEDSA-N 1 0 210.266 0.198 10 0 BCAERO C[C@@H]1C[NH2+][C@H]([C@H]2CCOC2)C[S@@]1=O ZINC000252823015 350915580 /nfs/dbraw/zinc/91/55/80/350915580.db2.gz BJDADROIDDDNEM-LWIGBJQBSA-N 1 0 203.307 0.132 10 0 BCAERO C[C@@H]([NH3+])CC(=O)N[C@H]1CC[C@H](O)CC1 ZINC000253132637 350918958 /nfs/dbraw/zinc/91/89/58/350918958.db2.gz PQDJCNPGUZHFDQ-IWSPIJDZSA-N 1 0 200.282 0.143 10 0 BCAERO C[C@H](CC(N)=S)[N@@H+]1CC[C@H](O)[C@H](C)C1 ZINC000253196727 350919850 /nfs/dbraw/zinc/91/98/50/350919850.db2.gz RKBXXIFLTXIZFN-HLTSFMKQSA-N 1 0 216.350 0.754 10 0 BCAERO OCC[NH+]1CCC(OC(F)(F)F)CC1 ZINC000616619537 350927755 /nfs/dbraw/zinc/92/77/55/350927755.db2.gz MGKCZCGYFQNITD-UHFFFAOYSA-N 1 0 213.199 0.980 10 0 BCAERO C[C@H]([C@H]([NH3+])c1cccnc1)S(C)(=O)=O ZINC000228651189 350935180 /nfs/dbraw/zinc/93/51/80/350935180.db2.gz ZFVVROHEEVVPNN-APPZFPTMSA-N 1 0 214.290 0.515 10 0 BCAERO CCOC(=O)[C@@]1(N)CC[N@@H+]2CCC[C@H]2C1 ZINC000250670096 350885134 /nfs/dbraw/zinc/88/51/34/350885134.db2.gz LKZKGZYEHXTESO-GXSJLCMTSA-N 1 0 212.293 0.505 10 0 BCAERO COC[C@H](C)[NH2+]C[C@@H](O)COC[C@H]1CCCO1 ZINC000250993609 350888786 /nfs/dbraw/zinc/88/87/86/350888786.db2.gz NCNLLDBUIDYUKH-QJPTWQEYSA-N 1 0 247.335 0.167 10 0 BCAERO CC(C)(CO)S[C@H]1COCC[C@H]1[NH3+] ZINC000306761900 350987806 /nfs/dbraw/zinc/98/78/06/350987806.db2.gz GGYHDHAXSBBKSO-SFYZADRCSA-N 1 0 205.323 0.607 10 0 BCAERO C[C@@H]1CN([S@@](=O)C2CCCC2)C[C@@H]1[NH3+] ZINC000306772035 351009468 /nfs/dbraw/zinc/00/94/68/351009468.db2.gz CXQXILADWNGTCJ-YACGNSKGSA-N 1 0 216.350 0.872 10 0 BCAERO Cc1cc(CC(=O)[C@@H]2CC[NH2+]C2)n(C)n1 ZINC000226330288 351003903 /nfs/dbraw/zinc/00/39/03/351003903.db2.gz KKMWWGOPAUDDTF-SECBINFHSA-N 1 0 207.277 0.450 10 0 BCAERO Nc1ncc([C@@H](O)C2CC[NH2+]CC2)s1 ZINC000159852205 351017926 /nfs/dbraw/zinc/01/79/26/351017926.db2.gz CPCFEQUBVSVQNN-QMMMGPOBSA-N 1 0 213.306 0.758 10 0 BCAERO C(SC1=[NH+]CCN1)[C@H]1CCOCO1 ZINC000306783734 351034536 /nfs/dbraw/zinc/03/45/36/351034536.db2.gz LOOQKGVTKUQMOZ-SSDOTTSWSA-N 1 0 202.279 0.442 10 0 BCAERO C[S@@](=O)N(CC[NH3+])Cc1ccccc1 ZINC000306808210 351060744 /nfs/dbraw/zinc/06/07/44/351060744.db2.gz OGTLPRMIDKGLSR-CQSZACIVSA-N 1 0 212.318 0.741 10 0 BCAERO C[C@@H]1C[NH2+]CC[C@@H]1C(=O)Cc1csnn1 ZINC000306808568 351061019 /nfs/dbraw/zinc/06/10/19/351061019.db2.gz PLUBAWXPGWYYMK-APPZFPTMSA-N 1 0 225.317 0.895 10 0 BCAERO CC(C)[S@](=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000306807515 351061484 /nfs/dbraw/zinc/06/14/84/351061484.db2.gz MNVBGKBRKMZMNO-RULNRJAQSA-N 1 0 218.366 0.975 10 0 BCAERO CN(C[C@H]1CCC[N@@H+]1C)C1=NC(=O)CS1 ZINC000306809742 351063868 /nfs/dbraw/zinc/06/38/68/351063868.db2.gz SMOHTLOQAOOYDY-MRVPVSSYSA-N 1 0 227.333 0.642 10 0 BCAERO CC(C)[S@](=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000306771259 351013726 /nfs/dbraw/zinc/01/37/26/351013726.db2.gz CGKOAUYORGIVBY-KSEQJQSQSA-N 1 0 216.350 0.931 10 0 BCAERO OCC[N@@H+]1CCC[C@H](c2cn[nH]c2)CC1 ZINC000616630037 351101486 /nfs/dbraw/zinc/10/14/86/351101486.db2.gz UKMWMBQUDNBQFR-JTQLQIEISA-N 1 0 209.293 0.972 10 0 BCAERO OCC[N@@H+]1CCC[C@H](c2cnno2)CC1 ZINC000616630136 351101843 /nfs/dbraw/zinc/10/18/43/351101843.db2.gz WYXWWDANQVWKQX-VIFPVBQESA-N 1 0 211.265 0.631 10 0 BCAERO OCC[N@@H+]1CCC[C@H](c2cc[nH]n2)CC1 ZINC000616630222 351102776 /nfs/dbraw/zinc/10/27/76/351102776.db2.gz ZFZZXDVZDRTVGW-JTQLQIEISA-N 1 0 209.293 0.972 10 0 BCAERO CC(C)(C)OC(=O)NCC[C@H]1CNCC[NH2+]1 ZINC000616631353 351105131 /nfs/dbraw/zinc/10/51/31/351105131.db2.gz YQPBUGIWHVCVKZ-VIFPVBQESA-N 1 0 229.324 0.463 10 0 BCAERO c1ccc2nnc([C@@H]3C[NH2+]CCN3)cc2c1 ZINC000616631728 351109036 /nfs/dbraw/zinc/10/90/36/351109036.db2.gz FWWSHRKKAFBGDI-LBPRGKRZSA-N 1 0 214.272 0.864 10 0 BCAERO CCN1CC[NH2+][C@@H](c2ccccc2C(N)=O)C1 ZINC000616631776 351109256 /nfs/dbraw/zinc/10/92/56/351109256.db2.gz BVTAVIQVXCEPBN-GFCCVEGCSA-N 1 0 233.315 0.752 10 0 BCAERO CC(C)[N@@H+]1CCN[C@H](c2cccnn2)C1 ZINC000616632045 351110110 /nfs/dbraw/zinc/11/01/10/351110110.db2.gz FSFXCCFOVHYGNF-NSHDSACASA-N 1 0 206.293 0.831 10 0 BCAERO CC(C)(C)[N@@H+]1CCN[C@@H](c2conn2)C1 ZINC000616632127 351110151 /nfs/dbraw/zinc/11/01/51/351110151.db2.gz MKPMZLJTTOBCJT-MRVPVSSYSA-N 1 0 210.281 0.814 10 0 BCAERO CN1CC[NH2+][C@@H](c2cccc(CCO)c2)C1 ZINC000616632350 351110898 /nfs/dbraw/zinc/11/08/98/351110898.db2.gz NWKXMNYBAYQUPQ-CYBMUJFWSA-N 1 0 220.316 0.798 10 0 BCAERO CNc1cccc([C@H]2CN(CCO)CC[NH2+]2)c1 ZINC000616632409 351111566 /nfs/dbraw/zinc/11/15/66/351111566.db2.gz QDKMLRNCUWAKSB-CYBMUJFWSA-N 1 0 235.331 0.667 10 0 BCAERO c1[nH]nnc1[C@H]1C[N@H+](Cc2ccccc2)CCN1 ZINC000616633297 351114703 /nfs/dbraw/zinc/11/47/03/351114703.db2.gz OSTTTXXOBWMWFE-CYBMUJFWSA-N 1 0 243.314 0.951 10 0 BCAERO Nc1cccc([C@@H]2CN(CCO)CC[NH2+]2)c1 ZINC000616634223 351117011 /nfs/dbraw/zinc/11/70/11/351117011.db2.gz NKUZARPKZJEHKV-LBPRGKRZSA-N 1 0 221.304 0.207 10 0 BCAERO NC(=O)N1CCN[C@H](c2cccc(CO)c2)C1 ZINC000616635280 351119092 /nfs/dbraw/zinc/11/90/92/351119092.db2.gz OTBPNNLXSJVMMX-NSHDSACASA-N 1 0 235.287 0.204 10 0 BCAERO NC(=O)N1CCN[C@H](c2cccc(F)c2)C1 ZINC000616635275 351119500 /nfs/dbraw/zinc/11/95/00/351119500.db2.gz ONXSWUXDWUEZRG-JTQLQIEISA-N 1 0 223.251 0.851 10 0 BCAERO C[C@]1(C(=O)NCCc2ccncc2)CCC[NH2+]1 ZINC000079515948 351070410 /nfs/dbraw/zinc/07/04/10/351070410.db2.gz VCPFZWAHKYBJDL-CYBMUJFWSA-N 1 0 233.315 0.882 10 0 BCAERO [NH3+]CCN1CC[C@@H](c2ccccc2CO)C1 ZINC000616623295 351088727 /nfs/dbraw/zinc/08/87/27/351088727.db2.gz DWOKMKVVSQFWRV-LLVKDONJSA-N 1 0 220.316 0.927 10 0 BCAERO [NH3+]CCN1CCCCC[C@H]1c1nc[nH]n1 ZINC000616625780 351094778 /nfs/dbraw/zinc/09/47/78/351094778.db2.gz WAZXSHOGNMRTBF-VIFPVBQESA-N 1 0 209.297 0.681 10 0 BCAERO Cc1cc(C[NH2+]C[C@H]2CC(=O)N(C)C2)ccn1 ZINC000623571264 363000388 /nfs/dbraw/zinc/00/03/88/363000388.db2.gz RFHPBCJUKIVHBR-GFCCVEGCSA-N 1 0 233.315 0.958 10 0 BCAERO CC(C)(C)[N@@H+]1CCC[C@H](S(N)(=O)=O)CC1 ZINC000616629014 351099635 /nfs/dbraw/zinc/09/96/35/351099635.db2.gz SGUCSMLAGAEKDB-VIFPVBQESA-N 1 0 234.365 0.928 10 0 BCAERO Nc1ccc([C@H]2COCCN2CC[NH3+])cc1 ZINC000616640281 351145603 /nfs/dbraw/zinc/14/56/03/351145603.db2.gz VJHSGZFARROXDB-GFCCVEGCSA-N 1 0 221.304 0.601 10 0 BCAERO NC(=O)c1ccc([C@H]2COCCN2CC[NH3+])cc1 ZINC000616640422 351146179 /nfs/dbraw/zinc/14/61/79/351146179.db2.gz XPDLRLREUHQLIE-GFCCVEGCSA-N 1 0 249.314 0.118 10 0 BCAERO CNC(=[NH2+])NCc1ncc(Cl)n1C ZINC000306835146 351146249 /nfs/dbraw/zinc/14/62/49/351146249.db2.gz SEFODEJBSCXSHM-UHFFFAOYSA-N 1 0 201.661 0.317 10 0 BCAERO [NH2+]=C1NC[C@H](c2cnn(Cc3ccccc3)c2)N1 ZINC000306836760 351147740 /nfs/dbraw/zinc/14/77/40/351147740.db2.gz VAOBQIQTNDANIR-GFCCVEGCSA-N 1 0 241.298 0.890 10 0 BCAERO CC[C@@H](C[NH3+])N1CCC2(C1)OCCO2 ZINC000306840744 351156360 /nfs/dbraw/zinc/15/63/60/351156360.db2.gz BGWGVBYOSIXUHQ-VIFPVBQESA-N 1 0 200.282 0.173 10 0 BCAERO [NH3+]CCN1CCCO[C@@H](c2ccon2)C1 ZINC000616655149 351193049 /nfs/dbraw/zinc/19/30/49/351193049.db2.gz UWFPAQJGQSULEL-SNVBAGLBSA-N 1 0 211.265 0.397 10 0 BCAERO OCC[N@@H+]1CCCOC[C@H]1c1ccccn1 ZINC000616644699 351162085 /nfs/dbraw/zinc/16/20/85/351162085.db2.gz GQCLWVPETUJZLM-LBPRGKRZSA-N 1 0 222.288 0.837 10 0 BCAERO Nc1cccc([C@H]2CN(CCO)CCO2)n1 ZINC000616644493 351163572 /nfs/dbraw/zinc/16/35/72/351163572.db2.gz CWOSVLJIFCJUTE-SNVBAGLBSA-N 1 0 223.276 0.029 10 0 BCAERO [NH3+]CCN1CCCOC[C@H]1c1ccon1 ZINC000616645610 351168740 /nfs/dbraw/zinc/16/87/40/351168740.db2.gz PGWOAMDSMSUSLL-JTQLQIEISA-N 1 0 211.265 0.397 10 0 BCAERO NC(=O)c1ccccc1[C@H]1COCCC[NH2+]1 ZINC000616646343 351170437 /nfs/dbraw/zinc/17/04/37/351170437.db2.gz NWDOJRGMFIJNSZ-LLVKDONJSA-N 1 0 220.272 0.837 10 0 BCAERO NC(=O)c1ccc([C@@H]2COCCC[NH2+]2)cc1 ZINC000616647979 351174802 /nfs/dbraw/zinc/17/48/02/351174802.db2.gz QFGTZUKKHQCBOE-NSHDSACASA-N 1 0 220.272 0.837 10 0 BCAERO NC(=O)c1cccc([C@@H]2COCCC[NH2+]2)c1 ZINC000616647991 351175555 /nfs/dbraw/zinc/17/55/55/351175555.db2.gz QXRWGXFDQRMQJC-NSHDSACASA-N 1 0 220.272 0.837 10 0 BCAERO OCC[N@@H+]1CCCO[C@@H](c2ncco2)C1 ZINC000616653711 351193902 /nfs/dbraw/zinc/19/39/02/351193902.db2.gz WAGCRAQLRJRWRA-SECBINFHSA-N 1 0 212.249 0.430 10 0 BCAERO OCC[N@@H+]1CCCO[C@@H](c2ncc[nH]2)C1 ZINC000616653495 351194050 /nfs/dbraw/zinc/19/40/50/351194050.db2.gz QQOUMPQIKZQUHL-SECBINFHSA-N 1 0 211.265 0.165 10 0 BCAERO CC(C)(C)OC(=O)N1CCCO[C@@H]([NH3+])C1 ZINC000616651167 351181669 /nfs/dbraw/zinc/18/16/69/351181669.db2.gz KSRCCQVSCZMZSX-MRVPVSSYSA-N 1 0 216.281 0.929 10 0 BCAERO CS(=O)(=O)N1CCCO[C@H](c2c[nH]cn2)C1 ZINC000616651123 351182106 /nfs/dbraw/zinc/18/21/06/351182106.db2.gz QATZZDXBWCFFNR-VIFPVBQESA-N 1 0 245.304 0.133 10 0 BCAERO C[C@@]([NH3+])(C(=O)Nc1cnns1)C1CC1 ZINC000306821860 351129442 /nfs/dbraw/zinc/12/94/42/351129442.db2.gz LNBQHONIVWGQHB-QMMMGPOBSA-N 1 0 212.278 0.604 10 0 BCAERO CC(C)(C)OC(=O)NCCN1CC[NH2+]C[C@H]1F ZINC000616636979 351131131 /nfs/dbraw/zinc/13/11/31/351131131.db2.gz ZMPOBCHRBLUQQR-VIFPVBQESA-N 1 0 247.314 0.712 10 0 BCAERO CC(C)N1CC[NH2+]C[C@H]1c1ccncn1 ZINC000616637645 351134994 /nfs/dbraw/zinc/13/49/94/351134994.db2.gz OVYJYOLHLASAOW-NSHDSACASA-N 1 0 206.293 0.831 10 0 BCAERO CNc1cccc([C@H]2C[NH2+]CCN2C(N)=O)c1 ZINC000616637691 351135061 /nfs/dbraw/zinc/13/50/61/351135061.db2.gz BAZHNISKUJGZRW-LLVKDONJSA-N 1 0 234.303 0.753 10 0 BCAERO NC(=O)N1CC[NH2+]C[C@@H]1c1ccc(F)cc1 ZINC000616637606 351135133 /nfs/dbraw/zinc/13/51/33/351135133.db2.gz AEBDGRKHIYCCDI-SNVBAGLBSA-N 1 0 223.251 0.851 10 0 BCAERO CN1CC[NH2+]C[C@@H]1c1ccc(CO)cc1 ZINC000616637978 351137621 /nfs/dbraw/zinc/13/76/21/351137621.db2.gz UFLPNOJKJHWDGE-GFCCVEGCSA-N 1 0 206.289 0.755 10 0 BCAERO O=c1[nH]c(C[NH2+]C2CCOCC2)cs1 ZINC000231697750 351141432 /nfs/dbraw/zinc/14/14/32/351141432.db2.gz GBLOBOUMWBNRKM-UHFFFAOYSA-N 1 0 214.290 0.705 10 0 BCAERO CC(=O)N1CC[NH2+]C[C@H]1c1ccccc1CCO ZINC000616638862 351142618 /nfs/dbraw/zinc/14/26/18/351142618.db2.gz MIBLHOMNZBWXMS-AWEZNQCLSA-N 1 0 248.326 0.714 10 0 BCAERO NC(=O)N1c2ccccc2CC[C@H]1C[NH3+] ZINC000616671302 351233380 /nfs/dbraw/zinc/23/33/80/351233380.db2.gz UFDWUPPSFNQQLC-VIFPVBQESA-N 1 0 205.261 0.845 10 0 BCAERO [NH3+]CCN1CC[C@@H](CO)c2ccccc21 ZINC000616673797 351237934 /nfs/dbraw/zinc/23/79/34/351237934.db2.gz DYWBTENOVPUQEP-JTQLQIEISA-N 1 0 206.289 0.931 10 0 BCAERO [NH3+]CCN1CCc2ccccc2[C@H]1c1conn1 ZINC000616680728 351247988 /nfs/dbraw/zinc/24/79/88/351247988.db2.gz OYVLAIDDGKOPCP-ZDUSSCGKSA-N 1 0 244.298 0.976 10 0 BCAERO CCOC(=O)[C@@H]1CNc2ccccc2N1CC[NH3+] ZINC000616685237 351254088 /nfs/dbraw/zinc/25/40/88/351254088.db2.gz RVFKBBYEMXVEIL-LBPRGKRZSA-N 1 0 249.314 0.809 10 0 BCAERO CCOC(=O)[C@H]1CNc2ccccc2N1CC[NH3+] ZINC000616685307 351254187 /nfs/dbraw/zinc/25/41/87/351254187.db2.gz RVFKBBYEMXVEIL-GFCCVEGCSA-N 1 0 249.314 0.809 10 0 BCAERO [NH3+]CCN1c2ccccc2NC[C@H]1CCO ZINC000616685793 351258684 /nfs/dbraw/zinc/25/86/84/351258684.db2.gz VPXBEEPNCZBRGZ-SNVBAGLBSA-N 1 0 221.304 0.628 10 0 BCAERO CC(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)CCO1 ZINC000616687009 351258728 /nfs/dbraw/zinc/25/87/28/351258728.db2.gz PUIAOBNVSSEGNN-JTQLQIEISA-N 1 0 214.309 0.969 10 0 BCAERO NC(=O)N1CCN[C@@H](c2ccccc2N)C1 ZINC000616654144 351195919 /nfs/dbraw/zinc/19/59/19/351195919.db2.gz MUBALWMNUCQYPZ-SNVBAGLBSA-N 1 0 220.276 0.294 10 0 BCAERO [NH3+]CCN1CCOCC[C@@H]1c1cn[nH]c1 ZINC000616656512 351203403 /nfs/dbraw/zinc/20/34/03/351203403.db2.gz CFXDZAXFJSALCW-SNVBAGLBSA-N 1 0 210.281 0.132 10 0 BCAERO [NH3+]CCN1CCOCC[C@@H]1c1ccnnc1 ZINC000616656478 351203427 /nfs/dbraw/zinc/20/34/27/351203427.db2.gz BFSGKGAZFZKQPF-LLVKDONJSA-N 1 0 222.292 0.199 10 0 BCAERO CC(C)(C)[C@@H]1COCCN(CC[NH3+])C1 ZINC000616659157 351206234 /nfs/dbraw/zinc/20/62/34/351206234.db2.gz CNRQVJMDTRGCMQ-JTQLQIEISA-N 1 0 200.326 0.940 10 0 BCAERO OCC[N@@H+]1CCOC[C@@H](c2ncco2)C1 ZINC000616659856 351207939 /nfs/dbraw/zinc/20/79/39/351207939.db2.gz FVVLCMFBDQDUFV-VIFPVBQESA-N 1 0 212.249 0.083 10 0 BCAERO NC(=O)c1ccc([C@@H]2CCOCC[NH2+]2)cc1 ZINC000616659826 351208329 /nfs/dbraw/zinc/20/83/29/351208329.db2.gz ROLAOZXXXLGBRR-NSHDSACASA-N 1 0 220.272 0.837 10 0 BCAERO [NH3+]CCN1CCOC[C@@H](C(F)(F)F)C1 ZINC000616661483 351209797 /nfs/dbraw/zinc/20/97/97/351209797.db2.gz SNXSUZBKZWZDFS-ZETCQYMHSA-N 1 0 212.215 0.456 10 0 BCAERO CC(C)[N@@H+]1CCOC[C@@H](c2c[nH]nn2)C1 ZINC000616660769 351213011 /nfs/dbraw/zinc/21/30/11/351213011.db2.gz OMXWAOOVAGTBBP-VIFPVBQESA-N 1 0 210.281 0.629 10 0 BCAERO [NH3+]CCN1CCOC[C@H](c2ccno2)C1 ZINC000616663613 351216263 /nfs/dbraw/zinc/21/62/63/351216263.db2.gz LNIYKQYDRLBSJR-SECBINFHSA-N 1 0 211.265 0.049 10 0 BCAERO NC(=O)c1ccc([C@H]2CC[NH2+]CCO2)cc1 ZINC000616663742 351216911 /nfs/dbraw/zinc/21/69/11/351216911.db2.gz LMWAWKPWCFUESS-LLVKDONJSA-N 1 0 220.272 0.837 10 0 BCAERO [NH3+]CCN1CCOC[C@@H](c2ccno2)C1 ZINC000616663792 351216957 /nfs/dbraw/zinc/21/69/57/351216957.db2.gz LNIYKQYDRLBSJR-VIFPVBQESA-N 1 0 211.265 0.049 10 0 BCAERO C[N@@H+]1CCOC[C@@H](Nc2ccccn2)C1 ZINC000616662256 351217364 /nfs/dbraw/zinc/21/73/64/351217364.db2.gz ZQDGNNYDRJJDKB-JTQLQIEISA-N 1 0 207.277 0.824 10 0 BCAERO CN(C(=O)OC(C)(C)C)[C@@H]1C[NH2+]CCOC1 ZINC000616662099 351217401 /nfs/dbraw/zinc/21/74/01/351217401.db2.gz GPBYAZFJWYHIFO-SECBINFHSA-N 1 0 230.308 0.842 10 0 BCAERO OCC[N@@H+]1CCO[C@H](c2cn[nH]c2)CC1 ZINC000616665252 351222488 /nfs/dbraw/zinc/22/24/88/351222488.db2.gz DEXYQKUQDJVLIF-JTQLQIEISA-N 1 0 211.265 0.165 10 0 BCAERO [NH3+]CCN1c2ccccc2CC[C@@H]1c1nnn[n-]1 ZINC000616667455 351224117 /nfs/dbraw/zinc/22/41/17/351224117.db2.gz AXRSNCJIMLSDGO-LLVKDONJSA-N 1 0 244.302 0.652 10 0 BCAERO CC(C)(C)[N@@H+]1CCO[C@@H](S(N)(=O)=O)CC1 ZINC000616665951 351224135 /nfs/dbraw/zinc/22/41/35/351224135.db2.gz AVJNHKVCBPRVBY-QMMMGPOBSA-N 1 0 236.337 0.122 10 0 BCAERO [NH3+]CCN1c2ccccc2CC[C@@H]1CO ZINC000616667889 351224799 /nfs/dbraw/zinc/22/47/99/351224799.db2.gz GBKSVCKOHXXCSP-LLVKDONJSA-N 1 0 206.289 0.759 10 0 BCAERO Cc1ncc(C[NH2+]C[C@@H]2CC(=O)N(C)C2)o1 ZINC000628341262 351285661 /nfs/dbraw/zinc/28/56/61/351285661.db2.gz HINQECDEYRRHBK-VIFPVBQESA-N 1 0 223.276 0.551 10 0 BCAERO CC[S@](C)(=O)=NC(=O)[C@H]1CC[NH2+][C@@H]1C ZINC000306887122 351295283 /nfs/dbraw/zinc/29/52/83/351295283.db2.gz TXWNLXRPMNNBEV-KXEKKFMESA-N 1 0 218.322 0.629 10 0 BCAERO CC[S@](C)(=O)=NC(=O)[C@@H]1CC[NH2+][C@@H]1C ZINC000306887123 351295393 /nfs/dbraw/zinc/29/53/93/351295393.db2.gz TXWNLXRPMNNBEV-WGZSSWNPSA-N 1 0 218.322 0.629 10 0 BCAERO C[C@@H]1C[C@@H]1C(=O)N1CCSC[C@@H]1C[NH3+] ZINC000306891179 351304813 /nfs/dbraw/zinc/30/48/13/351304813.db2.gz ZZRFMTBZLKJRJZ-VGMNWLOBSA-N 1 0 214.334 0.545 10 0 BCAERO C[C@@H]1CSC[C@@H]1[NH2+][C@H]1CCOC[C@@H]1O ZINC000628467313 358462177 /nfs/dbraw/zinc/46/21/77/358462177.db2.gz TZBMXXLKXZPSQB-KATARQTJSA-N 1 0 217.334 0.477 10 0 BCAERO COC(=O)[C@@H]1CCCN(C(=O)[C@@H]([NH3+])C(C)C)C1 ZINC000237097759 351318373 /nfs/dbraw/zinc/31/83/73/351318373.db2.gz ODHXZEJBQNYBFG-ZJUUUORDSA-N 1 0 242.319 0.381 10 0 BCAERO NC(=[NH2+])N[C@H](CO)c1cccc(Cl)c1 ZINC000306907313 351320466 /nfs/dbraw/zinc/32/04/66/351320466.db2.gz NHFNNNKSUXJSTP-MRVPVSSYSA-N 1 0 213.668 0.856 10 0 BCAERO CC[S@](C)(=O)=NC(=O)[C@@H]1CCC[NH2+]1 ZINC000306875240 351268961 /nfs/dbraw/zinc/26/89/61/351268961.db2.gz GRADFQQKXISGGX-CPFSXVBKSA-N 1 0 204.295 0.383 10 0 BCAERO CC[C@H]1CN(S(C)(=O)=O)CC[C@@H]1[NH2+]C ZINC000168070773 351278347 /nfs/dbraw/zinc/27/83/47/351278347.db2.gz AYNHBBPGUXHPLX-IUCAKERBSA-N 1 0 220.338 0.266 10 0 BCAERO CC[C@@H](C(N)=S)[N@@H+]1C[C@@H](O)C(C)(C)C1 ZINC000306880742 351279813 /nfs/dbraw/zinc/27/98/13/351279813.db2.gz KXHLHTRNCMEXET-JGVFFNPUSA-N 1 0 216.350 0.754 10 0 BCAERO Brc1cnc(NCC2C[NH2+]C2)nc1 ZINC000306987756 351404498 /nfs/dbraw/zinc/40/44/98/351404498.db2.gz QMKHRMGVEHPPFC-UHFFFAOYSA-N 1 0 243.108 0.870 10 0 BCAERO COC(C)(C)C[C@H](C)[NH2+][C@H]1CCS(=O)(=O)C1 ZINC000034963683 351367619 /nfs/dbraw/zinc/36/76/19/351367619.db2.gz GDELPGBWQLAXRP-UWVGGRQHSA-N 1 0 249.376 0.967 10 0 BCAERO CO[C@@H]1C[C@@H](C[NH3+])N(c2nncs2)C1 ZINC000306971141 351391184 /nfs/dbraw/zinc/39/11/84/351391184.db2.gz JVQXAWBKSSBSGW-NKWVEPMBSA-N 1 0 214.294 0.091 10 0 BCAERO [NH3+]C[C@H](O)Cc1coc(Br)c1 ZINC000306990259 351406586 /nfs/dbraw/zinc/40/65/86/351406586.db2.gz IQGTUPDJVYZGES-ZCFIWIBFSA-N 1 0 220.066 0.904 10 0 BCAERO C[C@H]([NH2+]C[C@H]1CCCO1)C(=O)N1CCCC1 ZINC000034936751 351349850 /nfs/dbraw/zinc/34/98/50/351349850.db2.gz RZIQDRPQOFQNJT-WDEREUQCSA-N 1 0 226.320 0.766 10 0 BCAERO COC[C@H](C)[NH2+][C@@H](C)C(=O)NC1CC1 ZINC000034937420 351352026 /nfs/dbraw/zinc/35/20/26/351352026.db2.gz IPACWIJZPNNDCD-YUMQZZPRSA-N 1 0 200.282 0.278 10 0 BCAERO COC[C@@H](C)[NH2+][C@H](C)C(=O)NC1CC1 ZINC000034937423 351352058 /nfs/dbraw/zinc/35/20/58/351352058.db2.gz IPACWIJZPNNDCD-HTQZYQBOSA-N 1 0 200.282 0.278 10 0 BCAERO CC[C@@H](C)NC(=O)[C@@H](C)[NH2+]CCOC ZINC000034938589 351353360 /nfs/dbraw/zinc/35/33/60/351353360.db2.gz VKQHZMGUVVAINJ-RKDXNWHRSA-N 1 0 202.298 0.526 10 0 BCAERO Cc1nnc([C@@H](C)N2C[C@@H]([NH3+])C2=O)s1 ZINC000307024614 351433270 /nfs/dbraw/zinc/43/32/70/351433270.db2.gz WKWMDEJZSVNPDZ-INEUFUBQSA-N 1 0 212.278 0.077 10 0 BCAERO C[C@@H]1[C@]2(CCS1(=O)=O)CCC[NH2+]C2 ZINC000307058516 351458267 /nfs/dbraw/zinc/45/82/67/351458267.db2.gz GIHCBFOURVAGGX-BDAKNGLRSA-N 1 0 203.307 0.563 10 0 BCAERO O[C@@H]1C[NH2+]C[C@@H]1N1CCC=C(Cl)C1 ZINC000404442510 351458986 /nfs/dbraw/zinc/45/89/86/351458986.db2.gz YGJOJGVTDYMANS-DTWKUNHWSA-N 1 0 202.685 0.148 10 0 BCAERO CC[N@@H+]1CC[C@](O)(c2cnc(N)s2)C1 ZINC000306994042 351411021 /nfs/dbraw/zinc/41/10/21/351411021.db2.gz MLWATUZOMSQBJT-SECBINFHSA-N 1 0 213.306 0.639 10 0 BCAERO CCCN1CC(N2C(=S)N=NC2N)C1 ZINC000307006775 351415748 /nfs/dbraw/zinc/41/57/48/351415748.db2.gz FTWJYERVTQLTMD-UHFFFAOYSA-N 1 0 213.310 0.416 10 0 BCAERO O=c1ccc(C[NH2+][C@H]2CCSC2)n[nH]1 ZINC000307012226 351420269 /nfs/dbraw/zinc/42/02/69/351420269.db2.gz KQJRZSRSVXEQGM-QMMMGPOBSA-N 1 0 211.290 0.365 10 0 BCAERO CC(C)([NH2+][C@H]1CCC[C@@]1(C)O)C(N)=O ZINC000307019609 351423896 /nfs/dbraw/zinc/42/38/96/351423896.db2.gz YPFNFIULMBNEOC-OIBJUYFYSA-N 1 0 200.282 0.143 10 0 BCAERO C[S@](=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000307129969 351492827 /nfs/dbraw/zinc/49/28/27/351492827.db2.gz KFPYWASJIMSGMQ-BFVZDQMLSA-N 1 0 216.350 0.886 10 0 BCAERO C[C@@H]1CSC[C@@H]1[NH2+]Cc1n[nH]c(=O)s1 ZINC000307145883 351499477 /nfs/dbraw/zinc/49/94/77/351499477.db2.gz MTUSPUNAPKRZIT-RITPCOANSA-N 1 0 231.346 0.673 10 0 BCAERO CC1(C)C[C@@H]1NC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000307147771 351500274 /nfs/dbraw/zinc/50/02/74/351500274.db2.gz ICOAKCVMNMMJHS-RNJXMRFFSA-N 1 0 200.257 0.601 10 0 BCAERO CC1(C)C[C@H]1NC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000307147772 351500516 /nfs/dbraw/zinc/50/05/16/351500516.db2.gz ICOAKCVMNMMJHS-XLPZGREQSA-N 1 0 200.257 0.601 10 0 BCAERO C[C@@H]1C[S@](=O)CCN1CC(C)(C)[NH3+] ZINC000307149120 351503289 /nfs/dbraw/zinc/50/32/89/351503289.db2.gz REFUEBATCUYZNQ-AMIZOPFISA-N 1 0 204.339 0.177 10 0 BCAERO CC[C@H]1CCCN(C(=O)[C@H]([NH3+])COC)CC1 ZINC000088004528 351509560 /nfs/dbraw/zinc/50/95/60/351509560.db2.gz XQWSDOJOTGBKNW-WDEREUQCSA-N 1 0 228.336 0.999 10 0 BCAERO COC[C@H]([NH3+])C(=O)N(C)Cc1scnc1C ZINC000088004406 351509632 /nfs/dbraw/zinc/50/96/32/351509632.db2.gz OZYKISCRNUAQND-QMMMGPOBSA-N 1 0 243.332 0.384 10 0 BCAERO COC[C@@H]([NH3+])C(=O)NCCOC1CCCC1 ZINC000088004398 351509693 /nfs/dbraw/zinc/50/96/93/351509693.db2.gz HTPVQSKBQSIFRN-SNVBAGLBSA-N 1 0 230.308 0.036 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N[C@H](C)c1nc(C)cs1 ZINC000088004569 351510767 /nfs/dbraw/zinc/51/07/67/351510767.db2.gz USGQHVCSIVOWPE-HTQZYQBOSA-N 1 0 243.332 0.602 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N1CCc2sccc2C1 ZINC000088002221 351474478 /nfs/dbraw/zinc/47/44/78/351474478.db2.gz QIVCXEYHECFNFE-SECBINFHSA-N 1 0 240.328 0.607 10 0 BCAERO CC[C@H]1CCCCN1C(=O)[C@H]([NH3+])COC ZINC000088002634 351480009 /nfs/dbraw/zinc/48/00/09/351480009.db2.gz VGKZURYEZXMBGB-VHSXEESVSA-N 1 0 214.309 0.751 10 0 BCAERO COC[C@@H]([NH3+])C(=O)NCc1cccc(F)c1 ZINC000088002569 351480138 /nfs/dbraw/zinc/48/01/38/351480138.db2.gz PHXSPTKXQJTIEN-SNVBAGLBSA-N 1 0 226.251 0.416 10 0 BCAERO COC[C@@H]([NH3+])C(=O)NCc1ccc(Cl)cc1 ZINC000088002536 351480195 /nfs/dbraw/zinc/48/01/95/351480195.db2.gz JMHSSNUVQJNTPC-SNVBAGLBSA-N 1 0 242.706 0.930 10 0 BCAERO COC[C@@H]([NH3+])C(=O)Nc1ccc(F)c(F)c1 ZINC000088002328 351482606 /nfs/dbraw/zinc/48/26/06/351482606.db2.gz BLLDEEVYPCCKRQ-SECBINFHSA-N 1 0 230.214 0.877 10 0 BCAERO CC1(NS(=O)(=O)[C@H]2CC[NH2+]C2)CCC1 ZINC000228941522 351547200 /nfs/dbraw/zinc/54/72/00/351547200.db2.gz HWMXYPIEEXVXES-QMMMGPOBSA-N 1 0 218.322 0.210 10 0 BCAERO C[C@H]1CCN(C(=O)C(C)(C)F)C[C@H]1[NH3+] ZINC000307180113 351566891 /nfs/dbraw/zinc/56/68/91/351566891.db2.gz NLNAYDKZKFMCCP-JGVFFNPUSA-N 1 0 202.273 0.930 10 0 BCAERO CC(C)S(=O)(=O)N1CC[C@@H]([NH3+])[C@H]1C ZINC000307187308 351587015 /nfs/dbraw/zinc/58/70/15/351587015.db2.gz OQWZTYLDZIXRAS-HTQZYQBOSA-N 1 0 206.311 0.146 10 0 BCAERO [NH3+]CC1(CO)CC(Cc2cccnc2)C1 ZINC000606302528 351553461 /nfs/dbraw/zinc/55/34/61/351553461.db2.gz OLQVPEANNIQUGX-UHFFFAOYSA-N 1 0 206.289 0.972 10 0 BCAERO [NH3+]C[C@@H]1CCCCN1C(=O)c1cccnn1 ZINC000637816570 351657223 /nfs/dbraw/zinc/65/72/23/351657223.db2.gz JDWUWSIKCLEQOQ-VIFPVBQESA-N 1 0 220.276 0.430 10 0 BCAERO C[S@@](=O)CC1(O)C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000307219739 351620723 /nfs/dbraw/zinc/62/07/23/351620723.db2.gz WPSSCNRLZVKYFD-CWWJLMTASA-N 1 0 203.307 0.010 10 0 BCAERO Cn1c(N)nnc1SC[C@H]1CC[NH2+]C1 ZINC000051891181 180621250 /nfs/dbraw/zinc/62/12/50/180621250.db2.gz GZOWIWQWPCPYPT-LURJTMIESA-N 1 0 213.310 0.099 10 0 BCAERO CCS(=O)(=O)N1C[C@H]([NH3+])CC[C@H]1C ZINC000307231975 351687462 /nfs/dbraw/zinc/68/74/62/351687462.db2.gz CBQLCUZCGKCLSV-HTQZYQBOSA-N 1 0 206.311 0.148 10 0 BCAERO C[C@@H]1C[C@H](C(=O)N2CCC[C@@H]2C[NH3+])[C@@H](C)O1 ZINC000637859920 351721410 /nfs/dbraw/zinc/72/14/10/351721410.db2.gz RTVPQXMYIWNSJG-DBIOUOCHSA-N 1 0 226.320 0.750 10 0 BCAERO [NH3+]C[C@H](O)CNc1ncccc1Cl ZINC000307239083 351728974 /nfs/dbraw/zinc/72/89/74/351728974.db2.gz HMDRFJCMGFZMFQ-LURJTMIESA-N 1 0 201.657 0.467 10 0 BCAERO CC(C)[C@H](C)NC(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000637877359 351742410 /nfs/dbraw/zinc/74/24/10/351742410.db2.gz QLSLKCJEGIJXHK-CMPLNLGQSA-N 1 0 228.336 0.903 10 0 BCAERO CN[C@H](c1nnn(C)n1)[C@H]1CCCS1 ZINC000307242752 351747256 /nfs/dbraw/zinc/74/72/56/351747256.db2.gz JMJORXBFZGFKOQ-RQJHMYQMSA-N 1 0 213.310 0.366 10 0 BCAERO CCCCS(=O)(=O)N1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631967184 363088140 /nfs/dbraw/zinc/08/81/40/363088140.db2.gz DCOROOUKYBSUGA-UWVGGRQHSA-N 1 0 234.365 0.643 10 0 BCAERO CC[NH2+][C@H](C)C(=O)NCC[C@@H]1CCCO1 ZINC000637904544 351775745 /nfs/dbraw/zinc/77/57/45/351775745.db2.gz XHYUXHLUTQVADF-ZJUUUORDSA-N 1 0 214.309 0.670 10 0 BCAERO C[C@H]1[C@@H](O)CCC[N@@H+]1CCC(C)(C)[NH3+] ZINC000307253101 351783982 /nfs/dbraw/zinc/78/39/82/351783982.db2.gz UOKXGJFQULGEHT-UWVGGRQHSA-N 1 0 200.326 0.959 10 0 BCAERO [NH3+]C[C@@H](O)CNc1ccncc1Br ZINC000307255536 351790147 /nfs/dbraw/zinc/79/01/47/351790147.db2.gz ZODIKMHRWYUXSN-ZCFIWIBFSA-N 1 0 246.108 0.576 10 0 BCAERO Cn1ncc(C[C@@H]([NH3+])c2cscn2)n1 ZINC000307257475 351794521 /nfs/dbraw/zinc/79/45/21/351794521.db2.gz BDNCUIUYCCBVGO-SSDOTTSWSA-N 1 0 209.278 0.514 10 0 BCAERO C[C@H](C(N)=S)[N@@H+]1CCC[C@H](O)[C@H]1C ZINC000307252106 351773087 /nfs/dbraw/zinc/77/30/87/351773087.db2.gz RLYDBASGDRRRGK-PRJMDXOYSA-N 1 0 202.323 0.506 10 0 BCAERO [NH3+][C@H]1CCOC12CCN(C(=O)C1CCC1)CC2 ZINC000725269374 538101299 /nfs/dbraw/zinc/10/12/99/538101299.db2.gz JMKUZQJNSIHCHU-NSHDSACASA-N 1 0 238.331 0.895 10 0 BCAERO CC[N@H+](CCO)[C@@H]1CCO[C@]12CCOC2 ZINC000725268872 538101333 /nfs/dbraw/zinc/10/13/33/538101333.db2.gz DJFWUZSFIZQXTP-MNOVXSKESA-N 1 0 215.293 0.249 10 0 BCAERO CC1(C)OC[C@H]([C@H](O)C[NH2+]CC2CC2)O1 ZINC000725269303 538101352 /nfs/dbraw/zinc/10/13/52/538101352.db2.gz PJJWTUIDEGWQQS-NXEZZACHSA-N 1 0 215.293 0.498 10 0 BCAERO C[C@@H]1C[C@@H]1NC(=O)[C@]1(C[NH3+])CCCOC1 ZINC000637933848 351810903 /nfs/dbraw/zinc/81/09/03/351810903.db2.gz JRSIJXJFBQMGCU-YWVKMMECSA-N 1 0 212.293 0.267 10 0 BCAERO CO[C@@H]1C[NH2+][C@](C)(C(=O)N[C@@H]2C[C@@H]2C)C1 ZINC000637937746 351815850 /nfs/dbraw/zinc/81/58/50/351815850.db2.gz YSCUDFVEBHTXAO-CKEKPRIKSA-N 1 0 212.293 0.278 10 0 BCAERO C[C@@H](O)C1CCN(C(=O)C2=CC[C@H]([NH3+])C2)CC1 ZINC000637975282 351851481 /nfs/dbraw/zinc/85/14/81/351851481.db2.gz ICWQQAZHWSCDLK-SKDRFNHKSA-N 1 0 238.331 0.653 10 0 BCAERO C[C@H]1CN(C(=O)C2=CC[C@@H]([NH3+])C2)CCS1 ZINC000637980677 351858117 /nfs/dbraw/zinc/85/81/17/351858117.db2.gz URDJBMDOXUDATF-WCBMZHEXSA-N 1 0 226.345 0.998 10 0 BCAERO C[C@@H]1CN([C@@H]2CCO[C@@]23CCOC3)CC[NH2+]1 ZINC000725269094 538101509 /nfs/dbraw/zinc/10/15/09/538101509.db2.gz KFQXGFAGVNSJJI-IJLUTSLNSA-N 1 0 226.320 0.228 10 0 BCAERO CCN1CCO[C@H](C[NH2+][C@H]2CCO[C@H](C)C2)C1 ZINC000252737035 538101541 /nfs/dbraw/zinc/10/15/41/538101541.db2.gz AUOZXNKDVKZMAQ-FRRDWIJNSA-N 1 0 242.363 0.864 10 0 BCAERO COC(=O)[C@@H](C)NC[C@@H]1C[NH2+]CC12CCC2 ZINC000725269388 538101618 /nfs/dbraw/zinc/10/16/18/538101618.db2.gz SSPIWSRBCQJJCH-ZJUUUORDSA-N 1 0 226.320 0.527 10 0 BCAERO CCN1CCO[C@H](C[NH2+][C@H](C)[C@H](C)OC)C1 ZINC000252740354 538101651 /nfs/dbraw/zinc/10/16/51/538101651.db2.gz JCTQETGGQYGDAP-GRYCIOLGSA-N 1 0 230.352 0.720 10 0 BCAERO CC[NH2+][C@H](C)C(=O)NC[C@@H]1CCCC[C@H]1O ZINC000638011390 351886955 /nfs/dbraw/zinc/88/69/55/351886955.db2.gz QDTIAKCPTMTGOS-OUAUKWLOSA-N 1 0 228.336 0.652 10 0 BCAERO C[C@@H]1OCC[C@H]1S[C@@H]1C[NH2+]C[C@H]1O ZINC000307295273 351905135 /nfs/dbraw/zinc/90/51/35/351905135.db2.gz OUSURMMUXFELMU-JQCXWYLXSA-N 1 0 203.307 0.230 10 0 BCAERO Cn1cc(NC(=O)[C@H]2CC[C@H]([NH3+])C2)ccc1=O ZINC000091544987 180660163 /nfs/dbraw/zinc/66/01/63/180660163.db2.gz GOELIMVDNOLVIF-IUCAKERBSA-N 1 0 235.287 0.451 10 0 BCAERO CCC(=O)N[C@@H]1CCOC12CC[NH2+]CC2 ZINC000725269966 538101819 /nfs/dbraw/zinc/10/18/19/538101819.db2.gz VHOLHPVKZREHKJ-SECBINFHSA-N 1 0 212.293 0.424 10 0 BCAERO CCN1CCO[C@H](C[NH2+][C@@H](C)[C@H](C)OC)C1 ZINC000252740358 538101683 /nfs/dbraw/zinc/10/16/83/538101683.db2.gz JCTQETGGQYGDAP-SDDRHHMPSA-N 1 0 230.352 0.720 10 0 BCAERO [NH3+][C@@H]1CCOC12CCN(C(=O)C1CC1)CC2 ZINC000725270170 538101888 /nfs/dbraw/zinc/10/18/88/538101888.db2.gz YDNBPIDJISYGDK-SNVBAGLBSA-N 1 0 224.304 0.505 10 0 BCAERO Cc1conc1C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000638167794 352035804 /nfs/dbraw/zinc/03/58/04/352035804.db2.gz PXBOSIIXWWXEHB-GUBZILKMSA-N 1 0 235.287 0.792 10 0 BCAERO C[C@H]1OCC[C@@H]1NC(=O)CCC1C[NH2+]C1 ZINC000638170879 352037791 /nfs/dbraw/zinc/03/77/91/352037791.db2.gz RILOTNZSLBUVOJ-SCZZXKLOSA-N 1 0 212.293 0.280 10 0 BCAERO C[NH2+][C@H](C)CNC(=O)[C@@H]1C[C@@H](C)O[C@H]1C ZINC000638221324 352080707 /nfs/dbraw/zinc/08/07/07/352080707.db2.gz HEDYTBQEHPLIDQ-DOLQZWNJSA-N 1 0 214.309 0.524 10 0 BCAERO CC(C)(C)[C@@H](O)CNC(=O)C1=CC[C@H]([NH3+])C1 ZINC000638278860 352115726 /nfs/dbraw/zinc/11/57/26/352115726.db2.gz LPLTWCKEYHPTCX-UWVGGRQHSA-N 1 0 226.320 0.557 10 0 BCAERO C[C@@H]1C[C@H](C(=O)N2C[C@H]([NH3+])[C@@H](C)C2)[C@@H](C)O1 ZINC000638333055 352151700 /nfs/dbraw/zinc/15/17/00/352151700.db2.gz QYNNZGZDMIUMAV-GEVSDDDWSA-N 1 0 226.320 0.606 10 0 BCAERO Cc1cocc1C(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000638354635 352169058 /nfs/dbraw/zinc/16/90/58/352169058.db2.gz RRVLVVBUIJYRIS-WDEREUQCSA-N 1 0 236.271 0.401 10 0 BCAERO Cn1ccc(CNC(=O)[C@@H]2CCC[NH2+]C2)c1 ZINC000082599131 180697877 /nfs/dbraw/zinc/69/78/77/180697877.db2.gz NQGQBTSEIZVFIS-LLVKDONJSA-N 1 0 221.304 0.641 10 0 BCAERO CCC[C@H](CNC(=O)[C@H]1C[C@@H](O)C[NH2+]1)OCC ZINC000638456592 352270775 /nfs/dbraw/zinc/27/07/75/352270775.db2.gz FDZWVVFEJRESDX-GMTAPVOTSA-N 1 0 244.335 0.031 10 0 BCAERO CC(C)CN(C)[C@H]1C[NH2+]CC[C@]1(C)O ZINC000300931475 363169786 /nfs/dbraw/zinc/16/97/86/363169786.db2.gz WECIHWIHERDINM-QWRGUYRKSA-N 1 0 200.326 0.687 10 0 BCAERO CCN1CCO[C@H](C[NH2+][C@H](COC)C2CC2)C1 ZINC000252761948 538102577 /nfs/dbraw/zinc/10/25/77/538102577.db2.gz YMFAKPSGDQZYKL-CHWSQXEVSA-N 1 0 242.363 0.722 10 0 BCAERO C[N@H+](CCO)[C@@H]1CCC[C@@]23C[C@@H](CO2)[C@H]13 ZINC000725270914 538102590 /nfs/dbraw/zinc/10/25/90/538102590.db2.gz GTMLMEIHDPIUSM-QCNOEVLYSA-N 1 0 211.305 0.868 10 0 BCAERO CC1(C(=O)N2CCC[NH2+]CCOCC2)CC1 ZINC000725270632 538102750 /nfs/dbraw/zinc/10/27/50/538102750.db2.gz CKJFWOZCODNXQW-UHFFFAOYSA-N 1 0 226.320 0.625 10 0 BCAERO CCN1CCO[C@H](C[NH2+][C@H](C)[C@H]2CCOC2)C1 ZINC000252760900 538102531 /nfs/dbraw/zinc/10/25/31/538102531.db2.gz XFQKNEXPFAZUTI-FRRDWIJNSA-N 1 0 242.363 0.722 10 0 BCAERO COc1cc(F)c([C@@H](N)C[NH3+])c(F)c1 ZINC000044473133 352340210 /nfs/dbraw/zinc/34/02/10/352340210.db2.gz RIPHLPWRHIJCSD-QMMMGPOBSA-N 1 0 202.204 0.932 10 0 BCAERO CCC(=O)N1CCC[NH2+]CCOCC1 ZINC000725271390 538103172 /nfs/dbraw/zinc/10/31/72/538103172.db2.gz LQYAMXKATPCAQT-UHFFFAOYSA-N 1 0 200.282 0.235 10 0 BCAERO C[NH2+]CCOCCNC(=O)CC(F)(F)F ZINC000638581416 352411837 /nfs/dbraw/zinc/41/18/37/352411837.db2.gz IZGMHJZMHDLDRJ-UHFFFAOYSA-N 1 0 228.214 0.291 10 0 BCAERO Cc1ncccc1CNC(=O)[C@H]1C[NH2+]CCOC1 ZINC000638600354 352432972 /nfs/dbraw/zinc/43/29/72/352432972.db2.gz WLCWBIFXMVXILY-LBPRGKRZSA-N 1 0 249.314 0.242 10 0 BCAERO CC(C)[C@H]([NH2+]Cc1cccnc1N)C(N)=O ZINC000725271942 538103765 /nfs/dbraw/zinc/10/37/65/538103765.db2.gz WMOIDUCMFCVNTI-VIFPVBQESA-N 1 0 222.292 0.263 10 0 BCAERO CCOC(=O)C[C@@H]([NH3+])[C@@H]1CCCS(=O)(=O)C1 ZINC000725272058 538103770 /nfs/dbraw/zinc/10/37/70/538103770.db2.gz GCMHKSMIBBQVPD-RKDXNWHRSA-N 1 0 249.332 0.092 10 0 BCAERO O=C(NC1CCCC1)[C@@H](F)C1C[NH2+]C1 ZINC000307369446 352458645 /nfs/dbraw/zinc/45/86/45/352458645.db2.gz QYRNWCYQAYJPAB-VIFPVBQESA-N 1 0 200.257 0.603 10 0 BCAERO c1nnsc1CNC1=[NH+]CCS1 ZINC000307373935 352473264 /nfs/dbraw/zinc/47/32/64/352473264.db2.gz SGQFIAYLZOEWBM-UHFFFAOYSA-N 1 0 200.292 0.731 10 0 BCAERO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NC(=O)[C@H]1CCC[NH2+]C1 ZINC000638630692 352473349 /nfs/dbraw/zinc/47/33/49/352473349.db2.gz SSEDUQFOVVVUGK-CSYMLDBXSA-N 1 0 240.347 0.914 10 0 BCAERO C[C@@H]1CSC[C@@H]1[NH2+][C@H]1CNC(=O)C1 ZINC000307376825 352475486 /nfs/dbraw/zinc/47/54/86/352475486.db2.gz BXADGHAMTCKDFR-PRJMDXOYSA-N 1 0 200.307 0.216 10 0 BCAERO C[C@H]1CC[NH2+]C[C@@H]1CNC(=O)C(F)(F)F ZINC000307378515 352477772 /nfs/dbraw/zinc/47/77/72/352477772.db2.gz XWIOXPPYHONIAR-NKWVEPMBSA-N 1 0 224.226 0.911 10 0 BCAERO CCOC(=O)c1cn([C@@H]2CCCC[C@@H]2[NH3+])nn1 ZINC000725272115 538103663 /nfs/dbraw/zinc/10/36/63/538103663.db2.gz HKKSMWNARRZDRE-WCBMZHEXSA-N 1 0 238.291 0.897 10 0 BCAERO CC(C)[C@@H](C)NC(=O)N[C@H](C)C1C[NH2+]C1 ZINC000725273179 538104316 /nfs/dbraw/zinc/10/43/16/538104316.db2.gz ZSDXBRCUQONINN-RKDXNWHRSA-N 1 0 213.325 0.938 10 0 BCAERO CCNS(=O)(=O)C[C@@]12CC[NH2+][C@@H]1CCCC2 ZINC000725272038 538103948 /nfs/dbraw/zinc/10/39/48/538103948.db2.gz FZPRDXPVJFPMBW-GHMZBOCLSA-N 1 0 246.376 0.848 10 0 BCAERO CC(C)[C@@H](C)C(=O)N1CCN=C1CC[NH3+] ZINC000725272604 538104334 /nfs/dbraw/zinc/10/43/34/538104334.db2.gz QRHNPKMQFYZZPG-SECBINFHSA-N 1 0 211.309 0.868 10 0 BCAERO C[S@](=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000307384431 352510963 /nfs/dbraw/zinc/51/09/63/352510963.db2.gz JPVVMNLMNKKJNB-YDEXJTGXSA-N 1 0 202.323 0.339 10 0 BCAERO CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCO[C@H](CCF)C1 ZINC000638683113 352521147 /nfs/dbraw/zinc/52/11/47/352521147.db2.gz CHGAQUXTBRKTKO-HBNTYKKESA-N 1 0 246.326 0.947 10 0 BCAERO C/C=C\CNC(=O)[C@@]1(COC)CCC[NH2+]1 ZINC000638691181 352528050 /nfs/dbraw/zinc/52/80/50/352528050.db2.gz VGBBXFYKUBATHY-BYCRGOAPSA-N 1 0 212.293 0.447 10 0 BCAERO C[NH2+][C@H](C)C(=O)N[C@@H](C)c1cnn(C)c1 ZINC000389735081 352552640 /nfs/dbraw/zinc/55/26/40/352552640.db2.gz UETYBLXCKLMLFT-JGVFFNPUSA-N 1 0 210.281 0.205 10 0 BCAERO C[C@H](C[N@@H+]1CC[C@](C)(O)C1)C(N)=S ZINC000300028920 352553220 /nfs/dbraw/zinc/55/32/20/352553220.db2.gz HAALFFALPNGZPP-APPZFPTMSA-N 1 0 202.323 0.365 10 0 BCAERO CC[C@@H]1[C@@H]2C[NH2+]C[C@H]2CN1[S@@](C)=O ZINC000307432654 352594599 /nfs/dbraw/zinc/59/45/99/352594599.db2.gz ZPOSIQQKYYNLAA-XHGVETGHSA-N 1 0 202.323 0.210 10 0 BCAERO C[C@@H]([NH3+])C(=O)N[C@H]1CCC[C@H](CO)C1 ZINC000307446947 352601987 /nfs/dbraw/zinc/60/19/87/352601987.db2.gz IAFKIZCPLOGNKZ-VGMNWLOBSA-N 1 0 200.282 0.001 10 0 BCAERO C[NH2+]C[C@@H](C)N1C(=O)c2ccccc2C1=O ZINC000307461078 352611281 /nfs/dbraw/zinc/61/12/81/352611281.db2.gz FRRYZQUPHLEPGC-MRVPVSSYSA-N 1 0 218.256 0.891 10 0 BCAERO C[C@@H]([NH3+])c1n[nH]c(=O)n1Cc1ccccc1 ZINC000232308878 352614626 /nfs/dbraw/zinc/61/46/26/352614626.db2.gz IKENTSKLSOUMGQ-MRVPVSSYSA-N 1 0 218.260 0.639 10 0 BCAERO CC1(C)SC[C@H]1N1C[C@@H]([NH3+])CC1=O ZINC000307474717 352616105 /nfs/dbraw/zinc/61/61/05/352616105.db2.gz JQLNCDUHAFMJDY-NKWVEPMBSA-N 1 0 200.307 0.440 10 0 BCAERO [NH3+]C1(CC(=O)N[C@H]2CCCSC2)CC1 ZINC000307483400 352619987 /nfs/dbraw/zinc/61/99/87/352619987.db2.gz ACTKGHWLPPRDMY-QMMMGPOBSA-N 1 0 214.334 0.880 10 0 BCAERO C[NH2+][C@H](C)C(=O)N[C@@H]1CCO[C@H](C)C1 ZINC000300390856 352562182 /nfs/dbraw/zinc/56/21/82/352562182.db2.gz URMJDRBETBPAEM-IWSPIJDZSA-N 1 0 200.282 0.278 10 0 BCAERO Nc1cc(C(=O)[O-])c(-n2ccnc2)c[nH+]1 ZINC000300789851 352574743 /nfs/dbraw/zinc/57/47/43/352574743.db2.gz UGFCLYLOUAQLFH-UHFFFAOYSA-N 1 0 204.189 0.548 10 0 BCAERO C[C@H]1CN(C2(C[NH3+])CSC2)CCS1 ZINC000307470437 352617524 /nfs/dbraw/zinc/61/75/24/352617524.db2.gz PYMPREFDNAYFNH-QMMMGPOBSA-N 1 0 218.391 0.868 10 0 BCAERO [NH3+][C@@H]1C[C@H]1NC(=O)[C@H]1CSCCS1 ZINC000307402784 352577803 /nfs/dbraw/zinc/57/78/03/352577803.db2.gz CBCDDJPVZQZREJ-FSDSQADBSA-N 1 0 218.347 0.051 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)NC1(C(F)F)CC1 ZINC000638725322 352578886 /nfs/dbraw/zinc/57/88/86/352578886.db2.gz DITVORQUZKZKOX-RNFRBKRXSA-N 1 0 218.247 0.756 10 0 BCAERO CC[C@H](C)[C@@H]([NH3+])C(=O)NCc1ccc[nH]c1=O ZINC000638724959 352581693 /nfs/dbraw/zinc/58/16/93/352581693.db2.gz DHGAFKAOQAORBJ-WCBMZHEXSA-N 1 0 237.303 0.777 10 0 BCAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NCc1ccc[nH]c1=O ZINC000638725080 352582138 /nfs/dbraw/zinc/58/21/38/352582138.db2.gz FHMCTHPZJIWKLE-ONGXEEELSA-N 1 0 249.314 0.792 10 0 BCAERO CC[C@H]([NH3+])C(=O)N[C@H]1CCOC[C@H]1C ZINC000300993825 352583016 /nfs/dbraw/zinc/58/30/16/352583016.db2.gz JRGUMXJTUCGUEJ-VGMNWLOBSA-N 1 0 200.282 0.265 10 0 BCAERO C[C@@H]1C[C@@H]([NH2+]Cc2nnnn2C)CS1 ZINC000307539063 352643405 /nfs/dbraw/zinc/64/34/05/352643405.db2.gz TVSMQTCEWKGRSS-RNFRBKRXSA-N 1 0 213.310 0.194 10 0 BCAERO C[C@H]1C[NH+]=C(NC2CS(=O)(=O)C2)SC1 ZINC000307537744 352643431 /nfs/dbraw/zinc/64/34/31/352643431.db2.gz RGAHCKSYHZAJMR-LURJTMIESA-N 1 0 234.346 0.112 10 0 BCAERO CN1C(=O)CC[C@H]([NH3+])[C@@H]1c1csnn1 ZINC000307541391 352644766 /nfs/dbraw/zinc/64/47/66/352644766.db2.gz XRRXABDEFKFJNF-YLWLKBPMSA-N 1 0 212.278 0.159 10 0 BCAERO CN1C(=O)CC[C@@H]([NH3+])[C@@H]1c1csnn1 ZINC000307541388 352644898 /nfs/dbraw/zinc/64/48/98/352644898.db2.gz XRRXABDEFKFJNF-SVGQVSJJSA-N 1 0 212.278 0.159 10 0 BCAERO CC(C)[C@@H](C)NC(=O)N1CC(F)(C[NH3+])C1 ZINC000725273328 538104756 /nfs/dbraw/zinc/10/47/56/538104756.db2.gz VPIIPLPZXPAGKW-MRVPVSSYSA-N 1 0 217.288 0.723 10 0 BCAERO c1nc2ncnc(NC[C@H]3CCC[NH2+]C3)c2[nH]1 ZINC000044503142 352653573 /nfs/dbraw/zinc/65/35/73/352653573.db2.gz JQVGSGMDHNFZLW-QMMMGPOBSA-N 1 0 232.291 0.764 10 0 BCAERO Cc1nccc(CNC(=O)C2CCC([NH3+])CC2)n1 ZINC000038038194 187772326 /nfs/dbraw/zinc/77/23/26/187772326.db2.gz PELLSNHWRLXNEI-UHFFFAOYSA-N 1 0 248.330 0.919 10 0 BCAERO NC(=O)c1ccccc1C[NH2+]C[C@@H]1CCOC1 ZINC000038094139 187773008 /nfs/dbraw/zinc/77/30/08/187773008.db2.gz WUOHEZKBXHXEQQ-JTQLQIEISA-N 1 0 234.299 0.912 10 0 BCAERO C[C@H]1CSC[C@@H]1NC(=O)C1([NH3+])CC1 ZINC000307581294 352660501 /nfs/dbraw/zinc/66/05/01/352660501.db2.gz CJWBTSMNIFISLT-BQBZGAKWSA-N 1 0 200.307 0.345 10 0 BCAERO [NH3+][C@@H]1CN(c2cnn(Cc3ccccc3)c2)C1=O ZINC000307588779 352660711 /nfs/dbraw/zinc/66/07/11/352660711.db2.gz YMYLNWAIEFHECW-GFCCVEGCSA-N 1 0 242.282 0.605 10 0 BCAERO CC[S@](=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000307592510 352663201 /nfs/dbraw/zinc/66/32/01/352663201.db2.gz HXIXLGNVDFFODN-KKFJDGPESA-N 1 0 202.323 0.211 10 0 BCAERO CC(=O)N1CCCN([C@H]2CCC[NH2+]C2)CC1 ZINC000042680041 187776605 /nfs/dbraw/zinc/77/66/05/187776605.db2.gz ACQVNRLPGOHCEN-LBPRGKRZSA-N 1 0 225.336 0.293 10 0 BCAERO Cc1ccc([C@@H]2C[NH2+]C[C@@H]2C(N)=O)cn1 ZINC000229234510 352666437 /nfs/dbraw/zinc/66/64/37/352666437.db2.gz WKXXQQIOVOHZNX-UWVGGRQHSA-N 1 0 205.261 0.178 10 0 BCAERO O=C(NC1C[NH2+]C1)c1c[nH]c(Br)c1 ZINC000307480990 352620642 /nfs/dbraw/zinc/62/06/42/352620642.db2.gz KPOCHNKBSWAWDA-UHFFFAOYSA-N 1 0 244.092 0.479 10 0 BCAERO C[C@H]1[NH+]=C(NC2CS(=O)(=O)C2)S[C@@H]1C ZINC000307499720 352626763 /nfs/dbraw/zinc/62/67/63/352626763.db2.gz LLZGVCIHWRKTBE-PHDIDXHHSA-N 1 0 234.346 0.253 10 0 BCAERO COC[C@H](CO)[NH2+]CCOCc1ccccc1 ZINC000307508295 352627596 /nfs/dbraw/zinc/62/75/96/352627596.db2.gz RTQLCRNKJFQIDH-ZDUSSCGKSA-N 1 0 239.315 0.800 10 0 BCAERO [NH3+]CCS(=O)(=O)CCOCc1ccccc1 ZINC000307503956 352630517 /nfs/dbraw/zinc/63/05/17/352630517.db2.gz WQKNWSNJZPKSSQ-UHFFFAOYSA-N 1 0 243.328 0.577 10 0 BCAERO O=C([C@H]1COCCN1)N1CCCC2(CC2)CC1 ZINC000638756140 352690127 /nfs/dbraw/zinc/69/01/27/352690127.db2.gz IZNNUUOSFPFIDN-LLVKDONJSA-N 1 0 238.331 0.768 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N1CCCC2(CC2)CC1 ZINC000638757803 352691538 /nfs/dbraw/zinc/69/15/38/352691538.db2.gz ZSRVIMBSBRMGKR-SNVBAGLBSA-N 1 0 226.320 0.753 10 0 BCAERO COCCN(CCOC)[C@@H]1CCC[C@H]1[NH3+] ZINC000042442556 187804327 /nfs/dbraw/zinc/80/43/27/187804327.db2.gz UNQAZUXMZISSFW-GHMZBOCLSA-N 1 0 216.325 0.461 10 0 BCAERO O=C(NC1C[NH2+]C1)c1ccoc1Br ZINC000232468605 352725280 /nfs/dbraw/zinc/72/52/80/352725280.db2.gz VJCOFQAKVOUZKV-UHFFFAOYSA-N 1 0 245.076 0.744 10 0 BCAERO Cn1cncc1C[NH2+]C[C@H](O)C(C)(C)C ZINC000112382362 180787552 /nfs/dbraw/zinc/78/75/52/180787552.db2.gz OTSRWSHNGYNTHZ-JTQLQIEISA-N 1 0 211.309 0.917 10 0 BCAERO C[C@H]1C[C@@H](NC(=O)C2C[NH2+]C2)CS1 ZINC000307651074 352742847 /nfs/dbraw/zinc/74/28/47/352742847.db2.gz RHYRMMTXLRKJRV-POYBYMJQSA-N 1 0 200.307 0.216 10 0 BCAERO Cc1nc(Cl)c(F)c(N2CC[NH2+]CC2)n1 ZINC000725273395 538105129 /nfs/dbraw/zinc/10/51/29/538105129.db2.gz YRBOEHIRZHGGFI-UHFFFAOYSA-N 1 0 230.674 0.987 10 0 BCAERO NC(=O)CNc1c(N)c[nH+]cc1Cl ZINC000307680567 352756520 /nfs/dbraw/zinc/75/65/20/352756520.db2.gz USTQJCXGMOMPKP-UHFFFAOYSA-N 1 0 200.629 0.214 10 0 BCAERO C[C@@H]([NH3+])c1ncn(Cc2csnn2)n1 ZINC000307687664 352920186 /nfs/dbraw/zinc/92/01/86/352920186.db2.gz FBGUZBCITCXAKS-RXMQYKEDSA-N 1 0 210.266 0.198 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)NC[C@H]1C[C@@H](OC)C1 ZINC000638806490 352979487 /nfs/dbraw/zinc/97/94/87/352979487.db2.gz GWLBGYRYUMOMML-KXUCPTDWSA-N 1 0 214.309 0.655 10 0 BCAERO CO[C@H]1C[C@@H](CNC(=O)[C@H]2CC[NH2+]C2)C1 ZINC000638809674 352987759 /nfs/dbraw/zinc/98/77/59/352987759.db2.gz VPXSUTDDXWPNPY-LPEHRKFASA-N 1 0 212.293 0.137 10 0 BCAERO O=C(N1CC[NH2+]C1)C(F)(F)C(F)F ZINC000306589203 353027649 /nfs/dbraw/zinc/02/76/49/353027649.db2.gz WVGAEWDITQKSRB-UHFFFAOYSA-N 1 0 200.135 0.276 10 0 BCAERO Cc1nnc(N[C@@]2(C[NH3+])CCOC2)s1 ZINC000306611746 353029775 /nfs/dbraw/zinc/02/97/75/353029775.db2.gz HBYRWWKFTIZTAS-MRVPVSSYSA-N 1 0 214.294 0.376 10 0 BCAERO C[NH2+][C@@H](C)C(=O)N[C@H]1COCC1(C)C ZINC000306239034 352998871 /nfs/dbraw/zinc/99/88/71/352998871.db2.gz PWNYRPWARDGBRG-YUMQZZPRSA-N 1 0 200.282 0.136 10 0 BCAERO CCN1CC[C@@H](NC(=O)C[C@H]([NH3+])C(C)C)C1=O ZINC000638825910 353007459 /nfs/dbraw/zinc/00/74/59/353007459.db2.gz XWLSZJHWGHWBCP-VHSXEESVSA-N 1 0 241.335 0.097 10 0 BCAERO O=C(N[C@@H]1CCCC12CC2)[C@@H]1COCCN1 ZINC000638832580 353013851 /nfs/dbraw/zinc/01/38/51/353013851.db2.gz RSCNZDYSXIMOEB-VHSXEESVSA-N 1 0 224.304 0.424 10 0 BCAERO CCCOCC(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000638889442 353057895 /nfs/dbraw/zinc/05/78/95/353057895.db2.gz ATHIIFASYWQVDP-NXEZZACHSA-N 1 0 214.309 0.466 10 0 BCAERO Cc1noc(C)c1C(=O)N1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000638889445 353058156 /nfs/dbraw/zinc/05/81/56/353058156.db2.gz VBAIXFDYTKSCFZ-XVKPBYJWSA-N 1 0 237.303 0.958 10 0 BCAERO C[C@H]1CN(C(=O)c2cncc(F)c2)C[C@@H]1C[NH3+] ZINC000638891938 353059515 /nfs/dbraw/zinc/05/95/15/353059515.db2.gz IAYRBYZUGPGDDY-WPRPVWTQSA-N 1 0 237.278 0.888 10 0 BCAERO C[C@@H]1CN(C(=O)c2cncc(F)c2)C[C@H]1C[NH3+] ZINC000638891935 353059606 /nfs/dbraw/zinc/05/96/06/353059606.db2.gz IAYRBYZUGPGDDY-PSASIEDQSA-N 1 0 237.278 0.888 10 0 BCAERO C[C@@H]1CN(C(=O)c2cncn2C)C[C@H]1C[NH3+] ZINC000638891366 353059626 /nfs/dbraw/zinc/05/96/26/353059626.db2.gz GTWRWHIFHLPFSZ-RKDXNWHRSA-N 1 0 222.292 0.087 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)O1 ZINC000638900934 353063135 /nfs/dbraw/zinc/06/31/35/353063135.db2.gz IMHBLGXERVVKFC-GWOFURMSSA-N 1 0 226.320 0.607 10 0 BCAERO CN(CC1CC(F)(F)C1)C1=[NH+]CCN1 ZINC000307252243 353063810 /nfs/dbraw/zinc/06/38/10/353063810.db2.gz RTGCGANQZXQACM-UHFFFAOYSA-N 1 0 203.236 0.923 10 0 BCAERO COC1(CC(=O)N2C[C@H](C)[C@@H](C[NH3+])C2)CCC1 ZINC000638907452 353068833 /nfs/dbraw/zinc/06/88/33/353068833.db2.gz YMYLURQFQPMKAS-QWRGUYRKSA-N 1 0 240.347 0.999 10 0 BCAERO Cc1[nH]nc(C(=O)N2C[C@H](C)[C@H](C[NH3+])C2)c1C ZINC000638910328 353070088 /nfs/dbraw/zinc/07/00/88/353070088.db2.gz DJMABPDCYJTGFU-OIBJUYFYSA-N 1 0 236.319 0.693 10 0 BCAERO C[C@H]([NH3+])C(=O)Nc1cc(Br)n(C)n1 ZINC000307433593 353077020 /nfs/dbraw/zinc/07/70/20/353077020.db2.gz JNCILYSOYSDBSI-BYPYZUCNSA-N 1 0 247.096 0.468 10 0 BCAERO CC(C)(C)OC(=O)[C@]1(O)CCCC[C@H]1[NH3+] ZINC000083263340 538107204 /nfs/dbraw/zinc/10/72/04/538107204.db2.gz PSQOOADKSLXCDF-KCJUWKMLSA-N 1 0 215.293 0.961 10 0 BCAERO Cc1c(C[NH3+])c(NC(=O)C(F)(F)F)nn1C ZINC000306990801 353048873 /nfs/dbraw/zinc/04/88/73/353048873.db2.gz UIDQNIJBSJHHMA-UHFFFAOYSA-N 1 0 236.197 0.688 10 0 BCAERO CCOCC(=O)N1C[C@H](C)[C@H](C[NH3+])C1 ZINC000638888304 353049554 /nfs/dbraw/zinc/04/95/54/353049554.db2.gz XJRWBKYXKMZUOE-DTWKUNHWSA-N 1 0 200.282 0.076 10 0 BCAERO C[C@H](C(=O)N1C[C@@H](C)[C@@H](C[NH3+])C1)n1cccn1 ZINC000638883948 353050759 /nfs/dbraw/zinc/05/07/59/353050759.db2.gz CUOFLLHVNLPILX-MXWKQRLJSA-N 1 0 236.319 0.497 10 0 BCAERO Cc1cc(C(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)n(C)n1 ZINC000638885039 353051938 /nfs/dbraw/zinc/05/19/38/353051938.db2.gz AOFLXPMYXVVBFM-PSASIEDQSA-N 1 0 236.319 0.395 10 0 BCAERO C[C@@H]1CN(C(=O)c2cnn(C)c2)C[C@@H]1C[NH3+] ZINC000638885294 353052042 /nfs/dbraw/zinc/05/20/42/353052042.db2.gz NIFYZGKBRFVYAU-BDAKNGLRSA-N 1 0 222.292 0.087 10 0 BCAERO C[C@@H]1CN(C(=O)C[C@H]2CCCO2)C[C@@H]1C[NH3+] ZINC000638884774 353052152 /nfs/dbraw/zinc/05/21/52/353052152.db2.gz JQRRTSUCVJCLKX-OUAUKWLOSA-N 1 0 226.320 0.609 10 0 BCAERO C[C@@H]1CN(C(=O)[C@H]2CCOC2)C[C@@H]1C[NH3+] ZINC000638887119 353053762 /nfs/dbraw/zinc/05/37/62/353053762.db2.gz TVBAHIFCXWIRSC-UTLUCORTSA-N 1 0 212.293 0.076 10 0 BCAERO Cc1ccc(C(=O)N2C[C@H](C)[C@@H](C[NH3+])C2)c(=O)[nH]1 ZINC000638886859 353053869 /nfs/dbraw/zinc/05/38/69/353053869.db2.gz JJUYDSGCMMCTDX-WPRPVWTQSA-N 1 0 249.314 0.762 10 0 BCAERO C[C@H]1CN(C(=O)c2ccn(C)c(=O)c2)C[C@H]1C[NH3+] ZINC000638886790 353054042 /nfs/dbraw/zinc/05/40/42/353054042.db2.gz SSBUIUMKTQOSEI-GXSJLCMTSA-N 1 0 249.314 0.052 10 0 BCAERO C[C@@H]1CN(C(=O)c2ccc(F)cn2)C[C@@H]1C[NH3+] ZINC000638894493 353055396 /nfs/dbraw/zinc/05/53/96/353055396.db2.gz PPKNNMDEEOFWOU-BDAKNGLRSA-N 1 0 237.278 0.888 10 0 BCAERO C[C@@H]1CN(C(=O)CCn2ccnc2)C[C@@H]1C[NH3+] ZINC000638896462 353057412 /nfs/dbraw/zinc/05/74/12/353057412.db2.gz ZGGUTGKCKKMKAZ-MNOVXSKESA-N 1 0 236.319 0.326 10 0 BCAERO CC(C)([NH3+])C(=O)Nc1nccc(Cl)n1 ZINC000232527563 353107084 /nfs/dbraw/zinc/10/70/84/353107084.db2.gz KQNBYNPHEPZTKT-UHFFFAOYSA-N 1 0 214.656 0.806 10 0 BCAERO CC(C)[S@](=O)N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000307727664 353114420 /nfs/dbraw/zinc/11/44/20/353114420.db2.gz FHWNLUYZFTYDNM-KKFJDGPESA-N 1 0 204.339 0.741 10 0 BCAERO CN1CCN([C@H](C[NH3+])C(F)(F)F)C1=O ZINC000052885425 353126694 /nfs/dbraw/zinc/12/66/94/353126694.db2.gz MFEJYKSJIZZKFM-RXMQYKEDSA-N 1 0 211.187 0.243 10 0 BCAERO C[C@H]([C@H](C)O)[N@@H+]1CCCC2(C1)OCCO2 ZINC000134012842 353142141 /nfs/dbraw/zinc/14/21/41/353142141.db2.gz CSJDRMNTNSBMIH-ZJUUUORDSA-N 1 0 215.293 0.595 10 0 BCAERO CC(C)(C)[S@](=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000236738598 188085983 /nfs/dbraw/zinc/08/59/83/188085983.db2.gz HNDQXXMSHJEWIM-JDNHERCYSA-N 1 0 246.376 0.402 10 0 BCAERO CC(C)[C@H](C[NH3+])C(=O)Nc1ncccc1O ZINC000129429507 188085517 /nfs/dbraw/zinc/08/55/17/188085517.db2.gz XAMWZSFDYVXMNN-QMMMGPOBSA-N 1 0 223.276 0.957 10 0 BCAERO C[NH2+][C@@H]1CCN(Cc2c(C)nn(C)c2OC)C1 ZINC000158511691 538109305 /nfs/dbraw/zinc/10/93/05/538109305.db2.gz XOVJCIBRCWITAY-SNVBAGLBSA-N 1 0 238.335 0.531 10 0 BCAERO COc1ccccc1NC(=O)C[NH2+][C@H](C)CO ZINC000035604217 188111615 /nfs/dbraw/zinc/11/16/15/188111615.db2.gz NATIYUNEKITWER-SECBINFHSA-N 1 0 238.287 0.604 10 0 BCAERO CC(=O)NCCNC1=[NH+]C(C)(C)CS1 ZINC000036746543 188112809 /nfs/dbraw/zinc/11/28/09/188112809.db2.gz RQQWEWHRSCXYJF-UHFFFAOYSA-N 1 0 215.322 0.594 10 0 BCAERO C(C[NH2+]C[C@@H]1CCCO1)CN1CCOCC1 ZINC000036962799 188113217 /nfs/dbraw/zinc/11/32/17/188113217.db2.gz JJMGFUZPPJKOTP-LBPRGKRZSA-N 1 0 228.336 0.477 10 0 BCAERO CN(C(=O)CCn1cccn1)[C@@H]1CCC[NH2+]C1 ZINC000037540920 188114068 /nfs/dbraw/zinc/11/40/68/188114068.db2.gz KBSQZDSVNRBDPS-LLVKDONJSA-N 1 0 236.319 0.484 10 0 BCAERO Cn1nnnc1S[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000035722743 180877003 /nfs/dbraw/zinc/87/70/03/180877003.db2.gz DYZRTTQHNNQHTB-HTQZYQBOSA-N 1 0 227.337 0.820 10 0 BCAERO Cc1nn(C)c(C)c1C(=O)N(C)C[C@@H](C)C[NH3+] ZINC000042455210 188119217 /nfs/dbraw/zinc/11/92/17/188119217.db2.gz SGLVFQMWBSYJLH-QMMMGPOBSA-N 1 0 238.335 0.704 10 0 BCAERO Nc1cc[nH+]cc1C[C@@H](O)c1cn[nH]c1 ZINC000309104549 538110441 /nfs/dbraw/zinc/11/04/41/538110441.db2.gz LENNPRJQASNFDW-SNVBAGLBSA-N 1 0 204.233 0.663 10 0 BCAERO CC(C)N(CC(N)=O)c1ccc(F)cc1C[NH3+] ZINC000042438449 188119937 /nfs/dbraw/zinc/11/99/37/188119937.db2.gz QTHYQAIEJXSURP-UHFFFAOYSA-N 1 0 239.294 0.985 10 0 BCAERO Cc1ccccc1[C@@H](C[NH3+])N1CCC[C@@H]1C(N)=O ZINC000043034275 188121571 /nfs/dbraw/zinc/12/15/71/188121571.db2.gz NJVBMQVEONUEQA-CHWSQXEVSA-N 1 0 247.342 0.945 10 0 BCAERO CC(=O)N1CCCN(C[C@@H]2CCC[NH2+]2)CC1 ZINC000043495773 188121695 /nfs/dbraw/zinc/12/16/95/188121695.db2.gz KEIXTQVGOMCKHT-LBPRGKRZSA-N 1 0 225.336 0.293 10 0 BCAERO O=C(NC[C@@H]1CCC[NH2+]C1)C1CCOCC1 ZINC000044501546 188123933 /nfs/dbraw/zinc/12/39/33/188123933.db2.gz OBZKTKBZRAKJAG-SNVBAGLBSA-N 1 0 226.320 0.529 10 0 BCAERO CC(C)[C@H](CN(C)C)[NH2+]CC(=O)N(C)C1CC1 ZINC000049305401 188124704 /nfs/dbraw/zinc/12/47/04/188124704.db2.gz AOBFUYLHZKUDMZ-LBPRGKRZSA-N 1 0 241.379 0.783 10 0 BCAERO C(CN1CCOCC1)[NH2+][C@@H]1CCN2CCC[C@@H]12 ZINC000049568384 188124803 /nfs/dbraw/zinc/12/48/03/188124803.db2.gz WZOQOVSYPPPEDB-OLZOCXBDSA-N 1 0 239.363 0.145 10 0 BCAERO CC(C)N(CCO)C(=O)[C@@H]1CCCC[C@H]1[NH3+] ZINC000055087387 188126577 /nfs/dbraw/zinc/12/65/77/188126577.db2.gz JHFNZURJYKOIAY-GHMZBOCLSA-N 1 0 228.336 0.733 10 0 BCAERO COc1ccc([C@@H]([NH3+])CS(C)(=O)=O)cc1F ZINC000055264590 188126778 /nfs/dbraw/zinc/12/67/78/188126778.db2.gz IBPAAXLHODXMQG-VIFPVBQESA-N 1 0 247.291 0.879 10 0 BCAERO CC(C)N(CC1CC1)[C@@H]1CS(=O)(=O)C[C@@H]1[NH3+] ZINC000054493386 188126895 /nfs/dbraw/zinc/12/68/95/188126895.db2.gz BXIWFJYYJSBROW-WDEREUQCSA-N 1 0 246.376 0.231 10 0 BCAERO COc1ccc(Cn2nnnc2[C@@H](C)[NH3+])cc1 ZINC000062494598 188128765 /nfs/dbraw/zinc/12/87/65/188128765.db2.gz GNTLSRMAGPYGIM-MRVPVSSYSA-N 1 0 233.275 0.750 10 0 BCAERO CC(C)N(C)C(=O)CN1CCC[NH2+][C@@H](C)C1=O ZINC000063215184 188129123 /nfs/dbraw/zinc/12/91/23/188129123.db2.gz HMNVYWABLXLMII-JTQLQIEISA-N 1 0 241.335 0.064 10 0 BCAERO COc1cc(OC)cc(-n2nncc2C[NH3+])c1 ZINC000070460934 188130040 /nfs/dbraw/zinc/13/00/40/188130040.db2.gz UMQSXKFMAJRTMT-UHFFFAOYSA-N 1 0 234.259 0.743 10 0 BCAERO C[C@H]1C[NH2+]C[C@H]1C(=O)N(C)Cc1ccncc1 ZINC000104207821 188151455 /nfs/dbraw/zinc/15/14/55/188151455.db2.gz NXAILIVMNJMUBL-CMPLNLGQSA-N 1 0 233.315 0.896 10 0 BCAERO CC(C)[C@H](CCO)NC(=O)[C@@H]1CCC[C@H]1[NH3+] ZINC000300393865 188157261 /nfs/dbraw/zinc/15/72/61/188157261.db2.gz BKALZWKUAZRRDV-MXWKQRLJSA-N 1 0 228.336 0.637 10 0 BCAERO CC(C)[C@H](CCO)NC(=O)[C@H]1C[NH2+]C[C@H]1C ZINC000300394765 188157270 /nfs/dbraw/zinc/15/72/70/188157270.db2.gz YASBIAOSCJGXGE-VWYCJHECSA-N 1 0 228.336 0.365 10 0 BCAERO Cc1oncc1C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000053254063 188162171 /nfs/dbraw/zinc/16/21/71/188162171.db2.gz IPOLFSQWINSWIT-QMMMGPOBSA-N 1 0 209.249 0.465 10 0 BCAERO Cc1nccn1-c1ccc(N)c(C(N)=O)c1 ZINC000041079633 188149966 /nfs/dbraw/zinc/14/99/66/188149966.db2.gz RDIGBGGFFPQFSV-UHFFFAOYSA-N 1 0 216.244 0.862 10 0 BCAERO C[C@H](CC1CCC1)NC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000638999235 353246298 /nfs/dbraw/zinc/24/62/98/353246298.db2.gz XXSBITCPELLFGW-FBIMIBRVSA-N 1 0 226.320 0.404 10 0 BCAERO CCCn1cnnc1[C@H]1C[C@@H](OC)C[NH2+]1 ZINC000054498007 188177648 /nfs/dbraw/zinc/17/76/48/188177648.db2.gz XJBIBFVCCRBNKY-RKDXNWHRSA-N 1 0 210.281 0.738 10 0 BCAERO Cc1cc(NS(=O)(=O)CC[NH3+])ccc1F ZINC000061118226 188184655 /nfs/dbraw/zinc/18/46/55/188184655.db2.gz XKUGZSWWYYCDDG-UHFFFAOYSA-N 1 0 232.280 0.835 10 0 BCAERO COC[C@H]([NH3+])C(=O)N(C)[C@H]1CCCC[C@H]1C ZINC000252108409 353296239 /nfs/dbraw/zinc/29/62/39/353296239.db2.gz HJQIRGJLAOOYSW-VWYCJHECSA-N 1 0 228.336 0.997 10 0 BCAERO CC(C)N(C)S(=O)(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000061884222 188223086 /nfs/dbraw/zinc/22/30/86/188223086.db2.gz RJJSNFMCCSQFLP-ZJUUUORDSA-N 1 0 249.380 0.288 10 0 BCAERO COC[C@H]([NH3+])C(=O)N[C@@H]1CC[C@H](C)C[C@@H]1C ZINC000252210154 353299069 /nfs/dbraw/zinc/29/90/69/353299069.db2.gz XXYPONUINQFSJJ-XWLWVQCSSA-N 1 0 228.336 0.901 10 0 BCAERO CC[C@](C)(C[NH3+])[C@H](O)c1csnn1 ZINC000308186228 538115510 /nfs/dbraw/zinc/11/55/10/538115510.db2.gz FYXIPFPCBXQUNO-HTQZYQBOSA-N 1 0 201.295 0.947 10 0 BCAERO Cn1ncc(Br)c1[C@H](O)CC[NH3+] ZINC000122940613 538115797 /nfs/dbraw/zinc/11/57/97/538115797.db2.gz IQJSWWMRSDTADM-ZCFIWIBFSA-N 1 0 234.097 0.565 10 0 BCAERO C[C@H]([NH3+])[C@H](C)C(=O)N1CCn2ccnc2C1 ZINC000165438953 353349914 /nfs/dbraw/zinc/34/99/14/353349914.db2.gz VCHNIWCPDQQDQZ-IUCAKERBSA-N 1 0 222.292 0.209 10 0 BCAERO Cc1cc(CNC2CC[NH+](CCO)CC2)on1 ZINC000398949910 353375933 /nfs/dbraw/zinc/37/59/33/353375933.db2.gz CYRQIPFVSYPPDT-UHFFFAOYSA-N 1 0 239.319 0.529 10 0 BCAERO CCn1ncnc1C[NH2+][C@@H]1CCCC[C@@H]1CO ZINC000226389914 538116024 /nfs/dbraw/zinc/11/60/24/538116024.db2.gz WPHGTJGHGZPQKS-GHMZBOCLSA-N 1 0 238.335 0.939 10 0 BCAERO CCn1ncnc1C[NH2+][C@H]1CCCC[C@@H]1CO ZINC000226389920 538116066 /nfs/dbraw/zinc/11/60/66/538116066.db2.gz WPHGTJGHGZPQKS-MNOVXSKESA-N 1 0 238.335 0.939 10 0 BCAERO C[C@@H]1CN(C[C@@H]2CCC[NH2+]C2)C[C@@H](CO)O1 ZINC000230072832 353419220 /nfs/dbraw/zinc/41/92/20/353419220.db2.gz WDTZJAAUROPZJX-UTUOFQBUSA-N 1 0 228.336 0.068 10 0 BCAERO [NH3+]C[C@@H]1CN(C/C(Cl)=C/Cl)CCO1 ZINC000165647356 353423985 /nfs/dbraw/zinc/42/39/85/353423985.db2.gz ORZLPMWUDKWTAG-LSFDQVSLSA-N 1 0 225.119 0.965 10 0 BCAERO [NH3+]C[C@H]1CN(C/C(Cl)=C/Cl)CCO1 ZINC000165647483 353424362 /nfs/dbraw/zinc/42/43/62/353424362.db2.gz ORZLPMWUDKWTAG-PFPYCLJUSA-N 1 0 225.119 0.965 10 0 BCAERO CN(CC(F)(F)CN)[C@@H]1CC[N@H+](C)C1 ZINC000308571922 538116949 /nfs/dbraw/zinc/11/69/49/538116949.db2.gz KSTNJLDGZCFARO-MRVPVSSYSA-N 1 0 207.268 0.216 10 0 BCAERO Fc1ccc(NCCN2CC[NH2+]CC2)nc1 ZINC000041045489 180977410 /nfs/dbraw/zinc/97/74/10/180977410.db2.gz RSLCLCRNTSKBEU-UHFFFAOYSA-N 1 0 224.283 0.538 10 0 BCAERO Cc1cc(NC2CC[NH2+]CC2)c(C#N)cn1 ZINC000398995544 353495724 /nfs/dbraw/zinc/49/57/24/353495724.db2.gz OOWBSCGRQWJCNB-UHFFFAOYSA-N 1 0 216.288 0.848 10 0 BCAERO C[C@@H](C(N)=S)[N@H+](C)[C@@H]1CCO[C@H]1C ZINC000134697775 353504237 /nfs/dbraw/zinc/50/42/37/353504237.db2.gz NXBLUDFFCNBONQ-BIIVOSGPSA-N 1 0 202.323 0.770 10 0 BCAERO C[C@@H]1CN([C@H](C[NH3+])C(F)(F)F)CCO1 ZINC000252429190 363243427 /nfs/dbraw/zinc/24/34/27/363243427.db2.gz VZYJUQVOBBDRLK-RNFRBKRXSA-N 1 0 212.215 0.597 10 0 BCAERO Fc1cccc2c1CN([NH+]=C1NCCN1)C2 ZINC000000010612 181007007 /nfs/dbraw/zinc/00/70/07/181007007.db2.gz ZLVARELBORDLAV-UHFFFAOYSA-N 1 0 220.251 0.605 10 0 in-man BCAERO CCC1(C(=O)NC[C@@H]2C[NH2+]C[C@H]2O)CCCC1 ZINC000262087647 535244703 /nfs/dbraw/zinc/24/47/03/535244703.db2.gz CTACQYOPRSGYHT-WDEREUQCSA-N 1 0 240.347 0.653 10 0 BCAERO CCC1(C(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)CCCC1 ZINC000262087645 535245548 /nfs/dbraw/zinc/24/55/48/535245548.db2.gz CTACQYOPRSGYHT-QWRGUYRKSA-N 1 0 240.347 0.653 10 0 BCAERO CC(C)S(=O)(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000232678346 353752612 /nfs/dbraw/zinc/75/26/12/353752612.db2.gz CZCUMDCZUWOIMM-IUCAKERBSA-N 1 0 220.338 0.455 10 0 BCAERO CCc1cc(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)[nH]n1 ZINC000195330250 353743774 /nfs/dbraw/zinc/74/37/74/353743774.db2.gz FQYHVXHROIKEFU-NSHDSACASA-N 1 0 248.330 0.892 10 0 BCAERO CC(C)N(CCO)C(=O)[C@H]1C[C@H]([NH3+])CC[C@@H]1C ZINC000055128010 188535859 /nfs/dbraw/zinc/53/58/59/188535859.db2.gz HUFDRBZNLSPEOA-TUAOUCFPSA-N 1 0 242.363 0.979 10 0 BCAERO COC[C@@H]1C[C@@H](OC)C[N@@H+]1Cc1cncnc1 ZINC000343829072 354032838 /nfs/dbraw/zinc/03/28/38/354032838.db2.gz NUVMPGBHMBEDAA-NWDGAFQWSA-N 1 0 237.303 0.712 10 0 BCAERO CO[C@H]1C[C@H](CO)[N@H+](Cc2cnn(C)c2C)C1 ZINC000344027065 354088717 /nfs/dbraw/zinc/08/87/17/354088717.db2.gz HELPHUSZILOGOW-NEPJUHHUSA-N 1 0 239.319 0.310 10 0 BCAERO C/C=C\C[C@@]1(C[NH3+])CCS(=O)(=O)C1 ZINC000308129309 354139924 /nfs/dbraw/zinc/13/99/24/354139924.db2.gz CVRLZOXVYSFTOV-XADBCAIWSA-N 1 0 203.307 0.716 10 0 BCAERO C[C@@H]1CC[C@@H](CN2CCO[C@@H](CO)C2)O1 ZINC000232031282 363360444 /nfs/dbraw/zinc/36/04/44/363360444.db2.gz RGZFZXIUAVXQGK-OUAUKWLOSA-N 1 0 215.293 0.247 10 0 BCAERO [NH3+]C1(CC(=O)N2CCn3ccnc3C2)CCC1 ZINC000094295384 487527622 /nfs/dbraw/zinc/52/76/22/487527622.db2.gz LHJYFCPKSYQFMO-UHFFFAOYSA-N 1 0 234.303 0.497 10 0 BCAERO Cn1ccc(CN2C[C@H](F)C[C@@H]2CO)c1 ZINC000334771439 354590989 /nfs/dbraw/zinc/59/09/89/354590989.db2.gz XOPAPIKNOOFYQU-GHMZBOCLSA-N 1 0 212.268 0.930 10 0 BCAERO CC(C)OCC(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000232682847 363379856 /nfs/dbraw/zinc/37/98/56/363379856.db2.gz WMXAYSWJRXGYNR-RKDXNWHRSA-N 1 0 200.282 0.217 10 0 BCAERO CC(C)OCC(=O)N1C[C@H](C)[C@H]([NH3+])C1 ZINC000232683079 363379875 /nfs/dbraw/zinc/37/98/75/363379875.db2.gz WMXAYSWJRXGYNR-DTWKUNHWSA-N 1 0 200.282 0.217 10 0 BCAERO CCCCS(=O)(=O)N1C[C@H]([NH3+])[C@@H](C)C1 ZINC000232998991 363391062 /nfs/dbraw/zinc/39/10/62/363391062.db2.gz YBNGPKUIDMNCEY-IUCAKERBSA-N 1 0 220.338 0.395 10 0 BCAERO COC[C@H](C)C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000113456092 354990988 /nfs/dbraw/zinc/99/09/88/354990988.db2.gz OUEXYFZSOMHNCP-WDEREUQCSA-N 1 0 228.336 0.679 10 0 BCAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CN(C)C ZINC000113444721 354999440 /nfs/dbraw/zinc/99/94/40/354999440.db2.gz ISUMYGRNWRFHAU-WDEREUQCSA-N 1 0 225.336 0.243 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)N1CC[C@@H]2OCC[C@@H]2C1 ZINC000583500741 355333176 /nfs/dbraw/zinc/33/31/76/355333176.db2.gz DCXMEVOSKKJCMP-MXWKQRLJSA-N 1 0 226.320 0.751 10 0 BCAERO NC(=[NH2+])COCc1ccc2c(c1)OCO2 ZINC000019439466 181186769 /nfs/dbraw/zinc/18/67/69/181186769.db2.gz WWTJTMOOWHIXBG-UHFFFAOYSA-N 1 0 208.217 0.868 10 0 BCAERO Cc1c(C[NH2+]C[C@H]2C[C@@H](O)C2)cnn1C ZINC000623749872 355369190 /nfs/dbraw/zinc/36/91/90/355369190.db2.gz RYHGQKXFGJWDOC-JGZJWPJOSA-N 1 0 209.293 0.589 10 0 BCAERO C[C@]1(C(=O)Nc2cnns2)CC[NH2+]C1 ZINC000166308651 355380752 /nfs/dbraw/zinc/38/07/52/355380752.db2.gz JZRUQWHELRKIJV-QMMMGPOBSA-N 1 0 212.278 0.476 10 0 BCAERO NC(=[NH2+])c1ccnc(Sc2nc[nH]n2)c1 ZINC000019848051 181197250 /nfs/dbraw/zinc/19/72/50/181197250.db2.gz SIUWUEPZJQOEDC-UHFFFAOYSA-N 1 0 220.261 0.635 10 0 BCAERO NC(=[NH2+])c1cnc(CC(F)(F)F)nc1 ZINC000095774384 181197631 /nfs/dbraw/zinc/19/76/31/181197631.db2.gz QAQIPPPEULTLEA-UHFFFAOYSA-N 1 0 204.155 0.865 10 0 BCAERO Cc1cc(CN[C@@H]2CCNC2=O)sn1 ZINC000639303224 355652695 /nfs/dbraw/zinc/65/26/95/355652695.db2.gz NYZZTIFXUROCQX-MRVPVSSYSA-N 1 0 211.290 0.430 10 0 BCAERO CN1C[C@@H](C[NH2+]Cc2ccns2)CC1=O ZINC000639321574 355722729 /nfs/dbraw/zinc/72/27/29/355722729.db2.gz PPKAIHYTHDAVCL-MRVPVSSYSA-N 1 0 225.317 0.711 10 0 BCAERO CO[C@H](C[NH2+][C@@H]1CCOC[C@@H]1O)C1CC1 ZINC000639353739 355803508 /nfs/dbraw/zinc/80/35/08/355803508.db2.gz ANWJVAIKUYIPGM-OUAUKWLOSA-N 1 0 215.293 0.151 10 0 BCAERO O[C@H]1COCC[C@H]1[NH2+]CCC1CCOCC1 ZINC000639355598 355809768 /nfs/dbraw/zinc/80/97/68/355809768.db2.gz WDISSDVEMYEVRI-NEPJUHHUSA-N 1 0 229.320 0.543 10 0 BCAERO CC[N@@H+]1CCC[C@H](Nc2ccnc(C#N)n2)C1 ZINC000383962086 355833368 /nfs/dbraw/zinc/83/33/68/355833368.db2.gz JMWZBYIODHEQHU-JTQLQIEISA-N 1 0 231.303 0.666 10 0 BCAERO NC(=O)C1CCC([NH2+][C@H]2CCC[C@@H]2O)CC1 ZINC000038091875 181216261 /nfs/dbraw/zinc/21/62/61/181216261.db2.gz VGCVZJUFSOHEQR-TVUZUIDESA-N 1 0 226.320 0.534 10 0 BCAERO NC(=O)C1(N2CCC[NH2+]CC2)CCSCC1 ZINC000041115491 181214576 /nfs/dbraw/zinc/21/45/76/181214576.db2.gz BRGJQWYQVHUMJH-UHFFFAOYSA-N 1 0 243.376 0.033 10 0 BCAERO NC(=O)C1CCC([NH2+]C[C@H]2CCOC2)CC1 ZINC000037152687 181216155 /nfs/dbraw/zinc/21/61/55/181216155.db2.gz VUDMBTZEFNIWDJ-KPPDAEKUSA-N 1 0 226.320 0.657 10 0 BCAERO NC(=O)C1CCN(C[C@@H]2CCCC[NH2+]2)CC1 ZINC000043493864 181216762 /nfs/dbraw/zinc/21/67/62/181216762.db2.gz PHRLFCVAVVFIAK-NSHDSACASA-N 1 0 225.336 0.326 10 0 BCAERO NC(=O)C1CCN([C@H]2CCC[C@@H]2[NH3+])CC1 ZINC000040431149 181217362 /nfs/dbraw/zinc/21/73/62/181217362.db2.gz MHPQGWMFHPHOEA-UWVGGRQHSA-N 1 0 211.309 0.064 10 0 BCAERO NC(=O)C1CC[NH+](Cc2ccc(N)nc2)CC1 ZINC000050791878 181217384 /nfs/dbraw/zinc/21/73/84/181217384.db2.gz NORAJRNXFHMQOQ-UHFFFAOYSA-N 1 0 234.303 0.361 10 0 BCAERO CC[N@@H+]1CC[C@@H](Nc2ncnc3c2cnn3C)C1 ZINC000389284967 355945714 /nfs/dbraw/zinc/94/57/14/355945714.db2.gz VSDCKXIZLCDMOI-SECBINFHSA-N 1 0 246.318 0.869 10 0 BCAERO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)Cc3cc[nH]n3)C[C@@H]12 ZINC000351165834 355956837 /nfs/dbraw/zinc/95/68/37/355956837.db2.gz LTVQQEDXEYMDGZ-FBIMIBRVSA-N 1 0 234.303 0.148 10 0 BCAERO NC(=O)CCCn1c(N)[nH+]c2ccccc21 ZINC000037660717 181222531 /nfs/dbraw/zinc/22/25/31/181222531.db2.gz GKBPMNGLPQJQAP-UHFFFAOYSA-N 1 0 218.260 0.884 10 0 BCAERO CCN1CC[C@H]([NH2+]C[C@@H](O)COC(C)C)C1 ZINC000389307159 355960795 /nfs/dbraw/zinc/96/07/95/355960795.db2.gz FNHPGQPCDPZZLN-NWDGAFQWSA-N 1 0 230.352 0.456 10 0 BCAERO NC(=O)CCC[NH2+]C[C@@H](O)c1ccccc1F ZINC000037894486 181223377 /nfs/dbraw/zinc/22/33/77/181223377.db2.gz FTVLJDNGYZYHAG-LLVKDONJSA-N 1 0 240.278 0.714 10 0 BCAERO NC(=O)COc1cccc(NC2CC[NH2+]CC2)c1 ZINC000038041170 181239424 /nfs/dbraw/zinc/23/94/24/181239424.db2.gz SNFKSXYOYSFFIH-UHFFFAOYSA-N 1 0 249.314 0.715 10 0 BCAERO NC(=O)CC[NH2+][C@H]1CCCCC[C@H]1O ZINC000037891657 181225318 /nfs/dbraw/zinc/22/53/18/181225318.db2.gz ALOSIKOPCOWTHT-DTWKUNHWSA-N 1 0 200.282 0.145 10 0 BCAERO NC(=O)CC[NH2+][C@H]1CCCCC[C@@H]1O ZINC000037891659 181225379 /nfs/dbraw/zinc/22/53/79/181225379.db2.gz ALOSIKOPCOWTHT-IUCAKERBSA-N 1 0 200.282 0.145 10 0 BCAERO NC(=O)C[C@@H]([NH3+])c1ccc2c(c1)CCO2 ZINC000037362374 181241156 /nfs/dbraw/zinc/24/11/56/181241156.db2.gz RNPDVTGFDSSGKC-SECBINFHSA-N 1 0 206.245 0.497 10 0 BCAERO NC(=O)C[C@H]([NH3+])c1ccc2c(c1)CCO2 ZINC000037362376 181245307 /nfs/dbraw/zinc/24/53/07/181245307.db2.gz RNPDVTGFDSSGKC-VIFPVBQESA-N 1 0 206.245 0.497 10 0 BCAERO C[C@@H]1[C@H]([NH3+])CCN1c1ncnc2[nH]ccc21 ZINC000420246749 192185555 /nfs/dbraw/zinc/18/55/55/192185555.db2.gz GEGHMEGGLUYEFZ-VXNVDRBHSA-N 1 0 217.276 0.884 10 0 BCAERO O[C@@H]1C[NH2+]C[C@@H]1CNc1ncc(Cl)cc1F ZINC000420248700 192187267 /nfs/dbraw/zinc/18/72/67/192187267.db2.gz IKXIJWCSOLTDFD-HZGVNTEJSA-N 1 0 245.685 0.866 10 0 BCAERO CCOC(=O)c1ccc(NC2C[NH2+]C2)nc1 ZINC000085256724 356299824 /nfs/dbraw/zinc/29/98/24/356299824.db2.gz RKIKHIBPVLWBIY-UHFFFAOYSA-N 1 0 221.260 0.642 10 0 BCAERO NC(=O)[C@@H](N)CC[NH+]1CCCCCCC1 ZINC000062438750 181264521 /nfs/dbraw/zinc/26/45/21/181264521.db2.gz GTFXAMGTPFFDPB-JTQLQIEISA-N 1 0 213.325 0.455 10 0 BCAERO NC(=O)[C@@H]([NH3+])Cn1cc(-c2ccccc2)cn1 ZINC000054961877 181264998 /nfs/dbraw/zinc/26/49/98/181264998.db2.gz PYABEIHTTXCXCO-NSHDSACASA-N 1 0 230.271 0.363 10 0 BCAERO CS[C@H](C)C(=O)N[C@H]1CC[N@H+](C)C1 ZINC000053295903 356403206 /nfs/dbraw/zinc/40/32/06/356403206.db2.gz NFDZWXLAMIBXTK-SFYZADRCSA-N 1 0 202.323 0.558 10 0 BCAERO NC(=O)[C@H](N)CC[NH+]1CCCCCCC1 ZINC000062438753 181277466 /nfs/dbraw/zinc/27/74/66/181277466.db2.gz GTFXAMGTPFFDPB-SNVBAGLBSA-N 1 0 213.325 0.455 10 0 BCAERO C[C@](C[NH3+])(C1CC1)N1CCCS1(=O)=O ZINC000168597424 356450887 /nfs/dbraw/zinc/45/08/87/356450887.db2.gz DXXCYVVVIFWPIS-VIFPVBQESA-N 1 0 218.322 0.149 10 0 BCAERO NC(=O)[C@@]1(O)CCC[N@@H+]([C@@H]2C=CCCC2)C1 ZINC000286314169 181275828 /nfs/dbraw/zinc/27/58/28/181275828.db2.gz VNSXPJUWRPPJJC-ZYHUDNBSSA-N 1 0 224.304 0.407 10 0 BCAERO NC(=O)[C@@]1([NH2+]C[C@@H]2CCCO2)CCCSC1 ZINC000061590404 181275937 /nfs/dbraw/zinc/27/59/37/181275937.db2.gz USZWTGAJJROOJC-GXSJLCMTSA-N 1 0 244.360 0.506 10 0 BCAERO NC(=O)[C@@]1([NH2+]C2CCCC2)CN2CCC1CC2 ZINC000037969054 181276002 /nfs/dbraw/zinc/27/60/02/181276002.db2.gz LNOSRGBOFGZDMH-CYBMUJFWSA-N 1 0 237.347 0.468 10 0 BCAERO NC(=O)[C@@]1(O)CCC[N@H+](CCCCF)C1 ZINC000309052037 181276436 /nfs/dbraw/zinc/27/64/36/181276436.db2.gz QGVKRWUCMZGCGJ-SNVBAGLBSA-N 1 0 218.272 0.048 10 0 BCAERO c1cnc2c(c1)nccc2NC[C@@H]1C[NH2+]CCO1 ZINC000379208560 356434300 /nfs/dbraw/zinc/43/43/00/356434300.db2.gz LSKLRHXNBZZDQD-JTQLQIEISA-N 1 0 244.298 0.452 10 0 BCAERO NC(=O)[C@H]([C@H]1CC=CCC1)N1CC[NH2+]CC1 ZINC000037945761 181278880 /nfs/dbraw/zinc/27/88/80/181278880.db2.gz ZIHMFSPFFZYLAO-QWRGUYRKSA-N 1 0 223.320 0.102 10 0 BCAERO [NH3+]CCC(=O)[C@H]1CCO[C@]2(CCOC2)C1 ZINC000167898564 356469221 /nfs/dbraw/zinc/46/92/21/356469221.db2.gz HAWDMJWGWDKQRW-GXSJLCMTSA-N 1 0 213.277 0.490 10 0 BCAERO C[C@H](CO)C[N@@H+]1C[C@@H](C)[C@H](N(C)C)C1 ZINC000228260614 491092969 /nfs/dbraw/zinc/09/29/69/491092969.db2.gz OXVNIMPKDSGUCR-HBNTYKKESA-N 1 0 200.326 0.497 10 0 BCAERO NC(=O)[C@H](c1ccsc1)N1CC[NH2+]CC1 ZINC000037945605 181280008 /nfs/dbraw/zinc/28/00/08/181280008.db2.gz MZNOXUFBLSKHDI-VIFPVBQESA-N 1 0 225.317 0.180 10 0 BCAERO NC(=O)[C@H]([NH2+]Cc1ccccc1)[C@H]1CCOC1 ZINC000037941259 181278016 /nfs/dbraw/zinc/27/80/16/181278016.db2.gz GTMMIFJJAPNXJQ-NWDGAFQWSA-N 1 0 234.299 0.667 10 0 BCAERO NC(=O)[C@]1([NH2+]CC2CC2)CCSC1 ZINC000037947049 181284651 /nfs/dbraw/zinc/28/46/51/181284651.db2.gz NQUATPVRMOGHER-VIFPVBQESA-N 1 0 200.307 0.347 10 0 BCAERO NC(=O)[C@H]1Cc2c([nH]c3ccccc32)C[NH2+]1 ZINC000038221298 181284950 /nfs/dbraw/zinc/28/49/50/181284950.db2.gz SWRKTKBVJYIDTG-SNVBAGLBSA-N 1 0 215.256 0.668 10 0 BCAERO COc1cccnc1N1CCO[C@H](C[NH3+])C1 ZINC000160177523 356562247 /nfs/dbraw/zinc/56/22/47/356562247.db2.gz RHBUGIHYDCNOLD-SECBINFHSA-N 1 0 223.276 0.254 10 0 BCAERO C[C@@H]1C[C@H](C(=O)N2C[C@H](C)[C@@H](C[NH3+])C2)[C@@H](C)O1 ZINC000630090810 363492414 /nfs/dbraw/zinc/49/24/14/363492414.db2.gz DFFMHADODAJEFJ-KNZXXDILSA-N 1 0 240.347 0.853 10 0 BCAERO Cc1nocc1C(=O)N1C[C@H](C)[C@H](C[NH3+])C1 ZINC000630092533 363516488 /nfs/dbraw/zinc/51/64/88/363516488.db2.gz QWTBUTJCABBLJB-IONNQARKSA-N 1 0 223.276 0.650 10 0 BCAERO COC(=O)[C@@H]1CC[NH2+][C@H]([C@H]2CCCO2)C1 ZINC000675050604 538472423 /nfs/dbraw/zinc/47/24/23/538472423.db2.gz ZYDKDGJNQHDKSV-KXUCPTDWSA-N 1 0 213.277 0.707 10 0 BCAERO CCN1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2O)C1 ZINC000389408817 356628760 /nfs/dbraw/zinc/62/87/60/356628760.db2.gz RJQSZFIXEOSJFL-IJLUTSLNSA-N 1 0 212.337 0.974 10 0 BCAERO CCN1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2O)C1 ZINC000389408818 356628801 /nfs/dbraw/zinc/62/88/01/356628801.db2.gz RJQSZFIXEOSJFL-QJPTWQEYSA-N 1 0 212.337 0.974 10 0 BCAERO CC(=O)N1CCOc2ccccc2[C@@H]1C[NH3+] ZINC000675058036 538481044 /nfs/dbraw/zinc/48/10/44/538481044.db2.gz QESSOBYNCMEFNV-NSHDSACASA-N 1 0 220.272 0.927 10 0 BCAERO COc1nscc1[C@@H]1CC[NH2+]C[C@H]1N ZINC000675058968 538481974 /nfs/dbraw/zinc/48/19/74/538481974.db2.gz DWKSARVQXRJJJC-POYBYMJQSA-N 1 0 213.306 0.556 10 0 BCAERO CCN1C(=O)CC[C@H](C[NH3+])[C@@H]1c1nccn1C ZINC000675058772 538482400 /nfs/dbraw/zinc/48/24/00/538482400.db2.gz XGLBNUGUBPMKPB-MWLCHTKSSA-N 1 0 236.319 0.678 10 0 BCAERO CN1CCC([N@H+](C)C[C@@H]2CC[C@H](CO)O2)CC1 ZINC000675058889 538482465 /nfs/dbraw/zinc/48/24/65/538482465.db2.gz BDQIFLAXBADJJK-QWHCGFSZSA-N 1 0 242.363 0.552 10 0 BCAERO CCNC(=O)NC[C@]1(CC)C[NH2+]CCO1 ZINC000675058973 538482479 /nfs/dbraw/zinc/48/24/79/538482479.db2.gz FAFKDADJRKQCGG-JTQLQIEISA-N 1 0 215.297 0.074 10 0 BCAERO Nc1c(F)ccc([C@H]2C[NH2+]CCN2)c1F ZINC000675059016 538483015 /nfs/dbraw/zinc/48/30/15/538483015.db2.gz GTNRLGJECBYTOK-MRVPVSSYSA-N 1 0 213.231 0.781 10 0 BCAERO CCC[C@]1(C[NH3+])CN(C(=O)NC(C)C)CCO1 ZINC000675059109 538483268 /nfs/dbraw/zinc/48/32/68/538483268.db2.gz KOPOIAFQWWZJRE-LBPRGKRZSA-N 1 0 243.351 0.934 10 0 BCAERO CCCNC(=O)N1CCO[C@](C[NH3+])(CCC)C1 ZINC000675058946 538483343 /nfs/dbraw/zinc/48/33/43/538483343.db2.gz DEGBXIJWGGHYMV-LBPRGKRZSA-N 1 0 243.351 0.936 10 0 BCAERO CCCNC(=O)NC[C@@]1(CC)C[NH2+]CCO1 ZINC000675059337 538483571 /nfs/dbraw/zinc/48/35/71/538483571.db2.gz OLSVISWEIJXSSF-LLVKDONJSA-N 1 0 229.324 0.464 10 0 BCAERO COC(=O)C(=O)N1CCC([NH2+]C2CCC2)CC1 ZINC000675055539 538475804 /nfs/dbraw/zinc/47/58/04/538475804.db2.gz VFWDNKXHNSKBRM-UHFFFAOYSA-N 1 0 240.303 0.293 10 0 BCAERO CCCCNC(=O)N1CCO[C@@](CC)(C[NH3+])C1 ZINC000675059467 538483891 /nfs/dbraw/zinc/48/38/91/538483891.db2.gz PSUPIRMAEDOQAO-LBPRGKRZSA-N 1 0 243.351 0.936 10 0 BCAERO COCCNC(=O)N1CC[C@@]2(C[NH3+])CCC[C@@H]12 ZINC000675055971 538477191 /nfs/dbraw/zinc/47/71/91/538477191.db2.gz FPRICAURKPQHSM-ZYHUDNBSSA-N 1 0 241.335 0.546 10 0 BCAERO COCCC(=O)N1CC[C@@H]2CC[NH2+]C[C@@H]21 ZINC000675056242 538477619 /nfs/dbraw/zinc/47/76/19/538477619.db2.gz FXXJPEQZZBPWJH-UWVGGRQHSA-N 1 0 212.293 0.233 10 0 BCAERO O=S1(=O)CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000675059621 538485240 /nfs/dbraw/zinc/48/52/40/538485240.db2.gz KMMTZDYTJNTGJS-VHSXEESVSA-N 1 0 217.334 0.811 10 0 BCAERO CC[C@@]1(CNC(=O)C(C)(C)C)C[NH2+]CCO1 ZINC000675059729 538485285 /nfs/dbraw/zinc/48/52/85/538485285.db2.gz VSMZUJFRKPKRQR-LBPRGKRZSA-N 1 0 228.336 0.917 10 0 BCAERO C[NH+](C)[C@H]1CCCN(C[C@@H]2CC[C@H](CO)O2)C1 ZINC000675059929 538485402 /nfs/dbraw/zinc/48/54/02/538485402.db2.gz YIEBDZZCTAUVFY-RWMBFGLXSA-N 1 0 242.363 0.552 10 0 BCAERO CCC[C@@H](C)C(=O)N1CCO[C@](C)(C[NH3+])C1 ZINC000675059924 538485436 /nfs/dbraw/zinc/48/54/36/538485436.db2.gz YBBUHPCXJXGLGP-ZYHUDNBSSA-N 1 0 228.336 0.999 10 0 BCAERO C=CC(=O)Nc1ccc([C@H](O)[C@H]([NH3+])CO)cc1 ZINC000675060276 538485774 /nfs/dbraw/zinc/48/57/74/538485774.db2.gz DKZHZOSGQIKKDW-PWSUYJOCSA-N 1 0 236.271 0.164 10 0 BCAERO CN1CCN(C(=O)OC(C)(C)C)C[C@H]1CO ZINC000088344363 356663001 /nfs/dbraw/zinc/66/30/01/356663001.db2.gz ZFMZQYSBINYTHP-VIFPVBQESA-N 1 0 230.308 0.530 10 0 BCAERO CCC(=O)Nc1ccc([C@@H](O)[C@@H]([NH3+])CO)cc1 ZINC000675060981 538486760 /nfs/dbraw/zinc/48/67/60/538486760.db2.gz UGFRHZCWEIFULZ-CMPLNLGQSA-N 1 0 238.287 0.388 10 0 BCAERO CC[C@H](C)[C@@H]([NH3+])c1nnc2c(=O)n(C)ccn21 ZINC000675061349 538488052 /nfs/dbraw/zinc/48/80/52/538488052.db2.gz ZIYMUFZGBNRECV-JGVFFNPUSA-N 1 0 235.291 0.474 10 0 BCAERO CC(C)[C@@H](C)C(=O)N(C1C[NH2+]C1)[C@H]1CCOC1 ZINC000675068709 538496971 /nfs/dbraw/zinc/49/69/71/538496971.db2.gz DJUOUNMHARNRPL-MNOVXSKESA-N 1 0 240.347 0.868 10 0 BCAERO CCN1CC[C@H]([NH2+]C[C@@H](O)COCC(C)C)C1 ZINC000389429944 356669572 /nfs/dbraw/zinc/66/95/72/356669572.db2.gz XVHSXFUQZBSLCS-QWHCGFSZSA-N 1 0 244.379 0.704 10 0 BCAERO [NH3+][C@@H]1C[C@@H]2C[C@H](CNC(=O)C3CC3)C[C@H]12 ZINC000675069855 538499300 /nfs/dbraw/zinc/49/93/00/538499300.db2.gz IUGNHKZNCRXVRP-DMLMCSCLSA-N 1 0 208.305 0.886 10 0 BCAERO COCCC(=O)N[C@@H]1C[C@@H]2C[C@H](C[NH3+])C[C@@H]12 ZINC000675070080 538500440 /nfs/dbraw/zinc/50/04/40/538500440.db2.gz LGOYHYMAVZMQNJ-UKKRHICBSA-N 1 0 226.320 0.513 10 0 BCAERO CCNC(=O)N[C@@H]1C[C@@H]2C[C@H](C[NH3+])C[C@@H]12 ZINC000675070737 538500904 /nfs/dbraw/zinc/50/09/04/538500904.db2.gz SHHUXXSQPVXSBQ-AXTSPUMRSA-N 1 0 211.309 0.679 10 0 BCAERO COCCNC(=O)N[C@@H]1C[C@@H]2C[C@H](C[NH3+])C[C@@H]12 ZINC000675070812 538501007 /nfs/dbraw/zinc/50/10/07/538501007.db2.gz SUNFUHZTLGPQGX-UKKRHICBSA-N 1 0 241.335 0.305 10 0 BCAERO CC(C)NC(=O)N1CCC[C@@H]2C[C@@]21C[NH3+] ZINC000675070321 538501327 /nfs/dbraw/zinc/50/13/27/538501327.db2.gz OIKPBVUBZPHPME-MWLCHTKSSA-N 1 0 211.309 0.918 10 0 BCAERO C[C@H]1CCN(c2ncccn2)C[C@@H]1C[NH3+] ZINC000167683379 134153289 /nfs/dbraw/zinc/15/32/89/134153289.db2.gz IZVLJMUYBXITQH-UWVGGRQHSA-N 1 0 206.293 0.898 10 0 BCAERO CC(C)C(=O)N(C1C[NH2+]C1)[C@@H]1CCOC1 ZINC000675071234 538502169 /nfs/dbraw/zinc/50/21/69/538502169.db2.gz YTYPNYXDTAHMJX-SECBINFHSA-N 1 0 212.293 0.232 10 0 BCAERO CCNC(=O)Nc1nc(C[NH3+])cs1 ZINC000675072272 538502734 /nfs/dbraw/zinc/50/27/34/538502734.db2.gz AWVNWEZEYQFQSZ-UHFFFAOYSA-N 1 0 200.267 0.743 10 0 BCAERO CCCS(=O)(=O)NC[C@@H]1C[C@@H]2C[C@@H]([NH3+])[C@@H]2C1 ZINC000675072554 538503189 /nfs/dbraw/zinc/50/31/89/538503189.db2.gz FFQIHCSGERBBPQ-GWOFURMSSA-N 1 0 246.376 0.689 10 0 BCAERO CCC[NH2+]C[C@@](O)(C(=O)OC)C(F)(F)F ZINC000675073328 538504863 /nfs/dbraw/zinc/50/48/63/538504863.db2.gz MUPSWRPHMBHTLH-SSDOTTSWSA-N 1 0 229.198 0.452 10 0 BCAERO COCCC(=O)Nc1nc(C[NH3+])cs1 ZINC000675073634 538505881 /nfs/dbraw/zinc/50/58/81/538505881.db2.gz RDINYAPMSGZMJK-UHFFFAOYSA-N 1 0 215.278 0.577 10 0 BCAERO [NH3+][C@@H]1C[C@@H]2C[C@H](CNS(=O)(=O)C3CC3)C[C@H]12 ZINC000675074132 538506881 /nfs/dbraw/zinc/50/68/81/538506881.db2.gz YCRJCZUIPUFXNV-MPKXCIJOSA-N 1 0 244.360 0.442 10 0 BCAERO Cn1ncc(NC[C@H]2CCC[NH2+]2)c(Cl)c1=O ZINC000167902691 134154520 /nfs/dbraw/zinc/15/45/20/134154520.db2.gz ORGDETPZKVJWGH-SSDOTTSWSA-N 1 0 242.710 0.598 10 0 BCAERO Oc1cccc(CC2=C[C@@H](O)C[NH2+]C2)c1 ZINC000675076779 538511654 /nfs/dbraw/zinc/51/16/54/538511654.db2.gz GHSIGWJWABLQPU-GFCCVEGCSA-N 1 0 205.257 0.825 10 0 BCAERO COCCC(=O)N1CCC[C@H]2C[C@]21C[NH3+] ZINC000675069391 538498157 /nfs/dbraw/zinc/49/81/57/538498157.db2.gz HIINBZMBFJDHLR-ONGXEEELSA-N 1 0 212.293 0.363 10 0 BCAERO CCS(=O)(=O)N[C@@H]1C[C@@H]2C[C@H](C[NH3+])C[C@@H]12 ZINC000675069407 538498416 /nfs/dbraw/zinc/49/84/16/538498416.db2.gz HKKBDMGVICQQKY-AXTSPUMRSA-N 1 0 232.349 0.299 10 0 BCAERO Cc1csc(CC2=C[C@@H](O)C[NH2+]C2)n1 ZINC000675077553 538513311 /nfs/dbraw/zinc/51/33/11/538513311.db2.gz OEOMKRKSGYPKIH-SECBINFHSA-N 1 0 210.302 0.885 10 0 BCAERO N[C@@H]1C=C(Cc2ccc(O)cc2)C[NH2+]C1 ZINC000675077431 538514297 /nfs/dbraw/zinc/51/42/97/538514297.db2.gz FAIUYKJYCRQIKE-LLVKDONJSA-N 1 0 204.273 0.792 10 0 BCAERO CCC(O)(CC)C[N@@H+]1CC[C@H](CO)C1 ZINC000163012643 202144790 /nfs/dbraw/zinc/14/47/90/202144790.db2.gz VEXBJHBHSKGNPR-JTQLQIEISA-N 1 0 201.310 0.852 10 0 BCAERO COc1cccnc1C1=C[C@H](O)C[NH2+]C1 ZINC000675077854 538515381 /nfs/dbraw/zinc/51/53/81/538515381.db2.gz SFFQYZZFIKSGCR-VIFPVBQESA-N 1 0 206.245 0.438 10 0 BCAERO [NH3+][C@@H]1C=C(c2cnc3n2CCC3)CNC1 ZINC000675078271 538515797 /nfs/dbraw/zinc/51/57/97/538515797.db2.gz OPZIYUTUHQMREL-SECBINFHSA-N 1 0 204.277 0.143 10 0 BCAERO CCn1ncc(Cl)c1C1=C[C@H](O)C[NH2+]C1 ZINC000675078554 538516501 /nfs/dbraw/zinc/51/65/01/538516501.db2.gz ZBNBYAXCFNGKKW-QMMMGPOBSA-N 1 0 227.695 0.904 10 0 BCAERO Cn1ncc(Cl)c1C1=C[C@H]([NH3+])CNC1 ZINC000675079104 538517100 /nfs/dbraw/zinc/51/71/00/538517100.db2.gz WIKDTKYXYRXIFV-ZETCQYMHSA-N 1 0 212.684 0.387 10 0 BCAERO CCn1nc(C)cc1C1=C[C@@H]([NH3+])CNC1 ZINC000675079112 538517509 /nfs/dbraw/zinc/51/75/09/538517509.db2.gz WNBQBJVRDAGFEY-SNVBAGLBSA-N 1 0 206.293 0.525 10 0 BCAERO Cc1cnc(CC2=C[C@H](N)C[NH2+]C2)s1 ZINC000675079494 538518797 /nfs/dbraw/zinc/51/87/97/538518797.db2.gz ZLUBEZXMVQWVDA-VIFPVBQESA-N 1 0 209.318 0.851 10 0 BCAERO CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)OC)C1 ZINC000389512617 356694890 /nfs/dbraw/zinc/69/48/90/356694890.db2.gz FGJRMMHSGSQTAR-BDAKNGLRSA-N 1 0 200.282 0.232 10 0 BCAERO c1nn2c(c1-c1cccnn1)C[NH2+]CC2 ZINC000675076960 538512343 /nfs/dbraw/zinc/51/23/43/538512343.db2.gz UWVWAXQWCWYZPJ-UHFFFAOYSA-N 1 0 201.233 0.443 10 0 BCAERO CC(C)n1nccc1C1=C[C@H]([NH3+])CNC1 ZINC000675077213 538512380 /nfs/dbraw/zinc/51/23/80/538512380.db2.gz AYGVKXXLRDANJD-JTQLQIEISA-N 1 0 206.293 0.778 10 0 BCAERO c1nn2c(c1-c1ncccn1)C[NH2+]CC2 ZINC000675076843 538512624 /nfs/dbraw/zinc/51/26/24/538512624.db2.gz SGXPUDMEXKISEB-UHFFFAOYSA-N 1 0 201.233 0.443 10 0 BCAERO Cn1c(Cl)ncc1C1=C[C@@H](O)C[NH2+]C1 ZINC000675077039 538512840 /nfs/dbraw/zinc/51/28/40/538512840.db2.gz ISJIYQZVOCHITP-SSDOTTSWSA-N 1 0 213.668 0.421 10 0 BCAERO Cc1ccnc(N)c1C1=C[C@@H](O)C[NH2+]C1 ZINC000675077300 538512869 /nfs/dbraw/zinc/51/28/69/538512869.db2.gz KYZRFRQTVIZHMH-SECBINFHSA-N 1 0 205.261 0.320 10 0 BCAERO NC(=O)[C@]1([NH3+])CCC[C@H](n2ccnc2)C1 ZINC000086604648 538558096 /nfs/dbraw/zinc/55/80/96/538558096.db2.gz HNRLNOIAQQFJAI-WPRPVWTQSA-N 1 0 208.265 0.181 10 0 BCAERO C[C@@H]1CC[C@](C(N)=O)(N2CC[NH2+]CC2)C[C@@H]1C ZINC000084990745 538535646 /nfs/dbraw/zinc/53/56/46/538535646.db2.gz OCGZKFQCSKTTTE-MDZLAQPJSA-N 1 0 239.363 0.572 10 0 BCAERO CCN1CCO[C@@H](C[NH3+])[C@@H]1c1cncn1C ZINC000085169009 538538576 /nfs/dbraw/zinc/53/85/76/538538576.db2.gz ZYEIAFRXWSJIIW-QWRGUYRKSA-N 1 0 224.308 0.141 10 0 BCAERO [NH3+][C@@H](C1CC1)[C@H]1CCCCS1(=O)=O ZINC000129768288 356699938 /nfs/dbraw/zinc/69/99/38/356699938.db2.gz IOYXEHOYWGMPSI-BDAKNGLRSA-N 1 0 203.307 0.691 10 0 BCAERO CC(C)c1cnn(C[C@@](C)([NH3+])C(N)=O)c1 ZINC000402144524 538544688 /nfs/dbraw/zinc/54/46/88/538544688.db2.gz YIVQSAOGIPKIRO-SNVBAGLBSA-N 1 0 210.281 0.209 10 0 BCAERO NC(=O)[C@]1([NH3+])CC[C@@H](n2cc(Cl)cn2)C1 ZINC000086626961 538557195 /nfs/dbraw/zinc/55/71/95/538557195.db2.gz FUXWNVSYYQWVEF-APPZFPTMSA-N 1 0 228.683 0.444 10 0 BCAERO NC(=O)[C@@]1([NH3+])CC[C@H](n2cc(Cl)cn2)C1 ZINC000086626958 538557235 /nfs/dbraw/zinc/55/72/35/538557235.db2.gz FUXWNVSYYQWVEF-IONNQARKSA-N 1 0 228.683 0.444 10 0 BCAERO C[NH2+][C@]1(C(N)=O)CC[C@@H](n2cccn2)C1 ZINC000086626719 538557634 /nfs/dbraw/zinc/55/76/34/538557634.db2.gz JINQTFOVIDLDBJ-PSASIEDQSA-N 1 0 208.265 0.052 10 0 BCAERO CC(C)NC(=O)NC[C@H]1CC[NH2+]C[C@@H]1C ZINC000129820147 538577562 /nfs/dbraw/zinc/57/75/62/538577562.db2.gz GAACGXKLLBQXRB-VHSXEESVSA-N 1 0 213.325 0.940 10 0 BCAERO C[C@@H]1COC[C@@H](CC(=O)C(F)(F)F)[NH2+]1 ZINC000130344280 538587932 /nfs/dbraw/zinc/58/79/32/538587932.db2.gz QGOVQIDFQJCVIX-PHDIDXHHSA-N 1 0 211.183 0.885 10 0 BCAERO C[C@@H]1COC[C@H](CC(=O)C(F)(F)F)[NH2+]1 ZINC000130343819 538588579 /nfs/dbraw/zinc/58/85/79/538588579.db2.gz QGOVQIDFQJCVIX-RITPCOANSA-N 1 0 211.183 0.885 10 0 BCAERO COC(=O)C(=O)[C@H](C)[C@H]1CCC[C@H](C)[NH2+]1 ZINC000130374701 538590041 /nfs/dbraw/zinc/59/00/41/538590041.db2.gz NEUIFICODUBNTQ-DJLDLDEBSA-N 1 0 213.277 0.895 10 0 BCAERO C[C@@H]([NH2+]CCN1C(=O)CCC1=O)[C@H]1CCCO1 ZINC000193130193 356711402 /nfs/dbraw/zinc/71/14/02/356711402.db2.gz QILYWAAIEZZSGH-NXEZZACHSA-N 1 0 240.303 0.293 10 0 BCAERO COC(=O)c1cnc(N[C@@H]2CC[NH2+]C2)nc1 ZINC000212495810 356887792 /nfs/dbraw/zinc/88/77/92/356887792.db2.gz OKBIJWNWDRVGED-MRVPVSSYSA-N 1 0 222.248 0.037 10 0 BCAERO CN1CC[N@H+](C[C@@H]2CCC[C@H](O)C2)[C@H](CO)C1 ZINC000639865864 356975254 /nfs/dbraw/zinc/97/52/54/356975254.db2.gz ATVDQRCJEAEAMB-AGIUHOORSA-N 1 0 242.363 0.146 10 0 BCAERO CN1CC[N@H+](C[C@H]2Cc3ccccc32)[C@H](CO)C1 ZINC000639866787 356985684 /nfs/dbraw/zinc/98/56/84/356985684.db2.gz IJDUUYLRPDYIIG-KGLIPLIRSA-N 1 0 246.354 0.935 10 0 BCAERO CC[NH2+]C[C@@H](O)CS(=O)(=O)c1ccccc1 ZINC000227937993 538771369 /nfs/dbraw/zinc/77/13/69/538771369.db2.gz RXQNKPMOIRBGJF-SNVBAGLBSA-N 1 0 243.328 0.431 10 0 BCAERO Cc1nnc(NC(=O)[C@H](C)CC[NH3+])s1 ZINC000129889832 357020198 /nfs/dbraw/zinc/02/01/98/357020198.db2.gz UGQSNODGXYLBOQ-RXMQYKEDSA-N 1 0 214.294 0.770 10 0 BCAERO NC(=O)[C@@H]([NH3+])Cc1ccc(Cl)c(F)c1 ZINC000223786222 357068073 /nfs/dbraw/zinc/06/80/73/357068073.db2.gz XTKBOGWAFSVCCX-QMMMGPOBSA-N 1 0 216.643 0.834 10 0 BCAERO CCC[NH2+][C@@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000389987754 357078296 /nfs/dbraw/zinc/07/82/96/357078296.db2.gz MXYGOKFTFGSXEL-ZJUUUORDSA-N 1 0 234.365 0.846 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)NC[C@@H]2C[NH2+]CCCO2)O1 ZINC000390030991 357084571 /nfs/dbraw/zinc/08/45/71/357084571.db2.gz YSSFKGZQAYBZTG-OUAUKWLOSA-N 1 0 242.319 0.049 10 0 BCAERO NC(=O)c1cc(F)ccc1N1CCC[NH2+]CC1 ZINC000104238108 181290100 /nfs/dbraw/zinc/29/01/00/181290100.db2.gz LSQFCHJAVORPBU-UHFFFAOYSA-N 1 0 237.278 0.724 10 0 BCAERO C[C@H]1COC[C@H](C)N1C(=O)C[NH2+]C1CC1 ZINC000390771389 357115676 /nfs/dbraw/zinc/11/56/76/357115676.db2.gz WGPKQMAJZKYNOM-IUCAKERBSA-N 1 0 212.293 0.374 10 0 BCAERO Cc1cc(C[NH2+]C[C@@H]2CN(C)CCO2)ccn1 ZINC000391221971 357126626 /nfs/dbraw/zinc/12/66/26/357126626.db2.gz WRKKZXLADHYZSI-CYBMUJFWSA-N 1 0 235.331 0.810 10 0 BCAERO COCC(C)(C)C[NH+]1C[C@@H](CO)[C@H](CO)C1 ZINC000628414118 357229653 /nfs/dbraw/zinc/22/96/53/357229653.db2.gz QWTMYNAVVLXZLY-QWRGUYRKSA-N 1 0 231.336 0.192 10 0 BCAERO CO[C@H]1CCN(C[C@H]2CSCC[NH2+]2)C1 ZINC000300042534 357176704 /nfs/dbraw/zinc/17/67/04/357176704.db2.gz QEUHDCPBDNPJHC-UWVGGRQHSA-N 1 0 216.350 0.412 10 0 BCAERO C[C@@H]1C[C@@H]1[NH2+]C[C@H]1CC(F)(F)C(=O)O1 ZINC000300051337 357180606 /nfs/dbraw/zinc/18/06/06/357180606.db2.gz HDTIJZIFNCMURY-QYNIQEEDSA-N 1 0 205.204 0.935 10 0 BCAERO [NH3+]Cc1cncc(CN2CCOCC2)c1 ZINC000259238510 538810850 /nfs/dbraw/zinc/81/08/50/538810850.db2.gz DSSLNWPXMCKGRF-UHFFFAOYSA-N 1 0 207.277 0.373 10 0 BCAERO CCCS(=O)(=O)NC[C@]1(C)CCC[NH2+]1 ZINC000157168026 538811024 /nfs/dbraw/zinc/81/10/24/538811024.db2.gz JUVOBVRIHCQSNB-VIFPVBQESA-N 1 0 220.338 0.458 10 0 BCAERO C[C@]1(CNS(=O)(=O)C2CC2)CCC[NH2+]1 ZINC000157172620 538811115 /nfs/dbraw/zinc/81/11/15/538811115.db2.gz NNJNEKLMAYZLTL-SECBINFHSA-N 1 0 218.322 0.210 10 0 BCAERO NC(=O)c1cc(NC2CC[NH2+]CC2)ccn1 ZINC000035673218 181290787 /nfs/dbraw/zinc/29/07/87/181290787.db2.gz MWZCZRDKIWFNAP-UHFFFAOYSA-N 1 0 220.276 0.344 10 0 BCAERO CCN1CCO[C@@H](C[NH2+]Cc2cncs2)C1 ZINC000157461647 538826907 /nfs/dbraw/zinc/82/69/07/538826907.db2.gz XZBJHSQJTTZZKN-JTQLQIEISA-N 1 0 241.360 0.953 10 0 BCAERO CCOC(=O)c1nc([C@H]2CC[NH2+]C2)no1 ZINC000259861142 538831153 /nfs/dbraw/zinc/83/11/53/538831153.db2.gz UZSZERPBRKAHLA-LURJTMIESA-N 1 0 211.221 0.323 10 0 BCAERO C[C@@H]1[C@@H](O)CCC[N@@H+]1CCCC(=O)N(C)C ZINC000395124959 357413906 /nfs/dbraw/zinc/41/39/06/357413906.db2.gz ZUPOZYSONGKLEH-MNOVXSKESA-N 1 0 228.336 0.700 10 0 BCAERO [NH3+][C@H]1CC[C@@H](C(=O)N2CCc3n[nH]cc3C2)C1 ZINC000396848888 357485688 /nfs/dbraw/zinc/48/56/88/357485688.db2.gz JIISBHPBURWKLE-SCZZXKLOSA-N 1 0 234.303 0.422 10 0 BCAERO CCc1nnc(CN(C)[C@@H](C)C[NH3+])n1C ZINC000583145405 357493943 /nfs/dbraw/zinc/49/39/43/357493943.db2.gz RPRMVMKOYDUXLL-QMMMGPOBSA-N 1 0 211.313 0.157 10 0 BCAERO C[NH2+][C@H](C)C(=O)NC[C@]1(C)CCOC1 ZINC000397377243 357513539 /nfs/dbraw/zinc/51/35/39/357513539.db2.gz MRXMPXWWVHEBPD-SCZZXKLOSA-N 1 0 200.282 0.137 10 0 BCAERO CS(=O)(=O)CC[C@H]1CCC[NH2+]CC1 ZINC000168877645 357516823 /nfs/dbraw/zinc/51/68/23/357516823.db2.gz PGPUVWRKBPBSHH-VIFPVBQESA-N 1 0 205.323 0.811 10 0 BCAERO CCOC(=O)c1cc([C@H]2CC[NH2+]C2)[nH]n1 ZINC000260944903 538854612 /nfs/dbraw/zinc/85/46/12/538854612.db2.gz TWQHFNJDACAHKN-ZETCQYMHSA-N 1 0 209.249 0.663 10 0 BCAERO CCC(CC)[C@H](O)CNC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000230630868 357542583 /nfs/dbraw/zinc/54/25/83/357542583.db2.gz LQVITWFVSVOFKV-YUSALJHKSA-N 1 0 242.363 0.755 10 0 BCAERO CN1CCO[C@H](C[NH2+]Cc2ccc(F)nc2)C1 ZINC000189060330 357601837 /nfs/dbraw/zinc/60/18/37/357601837.db2.gz BIOVAGZGXHZRBM-LLVKDONJSA-N 1 0 239.294 0.641 10 0 BCAERO NC(=O)c1cc(OC[C@H]2CCC[NH2+]2)ccn1 ZINC000051865894 181291985 /nfs/dbraw/zinc/29/19/85/181291985.db2.gz HGJXWPBJJAJHEU-MRVPVSSYSA-N 1 0 221.260 0.311 10 0 BCAERO CC(C)CNC(=O)N1CC[C@@H]([NH3+])[C@@H](F)C1 ZINC000685945796 538886823 /nfs/dbraw/zinc/88/68/23/538886823.db2.gz BEPCDEKUKAXUNB-DTWKUNHWSA-N 1 0 217.288 0.723 10 0 BCAERO O=C(CC1CC1)N[C@H]1CC[NH2+]C[C@@H]1F ZINC000685945835 538886932 /nfs/dbraw/zinc/88/69/32/538886932.db2.gz CCGOLWKCVHXYLB-IUCAKERBSA-N 1 0 200.257 0.603 10 0 BCAERO CC(C)S(=O)(=O)N[C@H]1CC[NH2+]C[C@H]1F ZINC000685945853 538886961 /nfs/dbraw/zinc/88/69/61/538886961.db2.gz CODYTHTWWNUPBI-SFYZADRCSA-N 1 0 224.301 0.014 10 0 BCAERO CCCCNC(=O)N1CC[C@H]([NH3+])[C@@H](F)C1 ZINC000685946707 538887015 /nfs/dbraw/zinc/88/70/15/538887015.db2.gz UWAMDQPTMZAFLU-IUCAKERBSA-N 1 0 217.288 0.867 10 0 BCAERO CS(=O)(=O)N1CCC2(CCC[C@H]2[NH3+])CC1 ZINC000685946717 538887265 /nfs/dbraw/zinc/88/72/65/538887265.db2.gz FBKDKQWFDJUZJT-SECBINFHSA-N 1 0 232.349 0.539 10 0 BCAERO CC(C)(C)C(=O)N[C@H]1CC[NH2+]C[C@@H]1F ZINC000685946311 538887907 /nfs/dbraw/zinc/88/79/07/538887907.db2.gz NVIDKQKRPSILSE-YUMQZZPRSA-N 1 0 202.273 0.849 10 0 BCAERO CCCS(=O)(=O)N1CC[C@H]([NH3+])[C@@H](F)C1 ZINC000685946897 538887952 /nfs/dbraw/zinc/88/79/52/538887952.db2.gz WGDAMSKOXNYESQ-YUMQZZPRSA-N 1 0 224.301 0.097 10 0 BCAERO CC1(C(=O)N[C@@H]2CC[NH2+]C[C@H]2F)CC1 ZINC000685946344 538887984 /nfs/dbraw/zinc/88/79/84/538887984.db2.gz PWWJJLPGCAPZIN-HTQZYQBOSA-N 1 0 200.257 0.603 10 0 BCAERO CC(C)(C)C(=O)N1CC[C@@H]([NH3+])[C@@H](F)C1 ZINC000685946379 538888063 /nfs/dbraw/zinc/88/80/63/538888063.db2.gz RPDLYCYGJRLKKH-JGVFFNPUSA-N 1 0 202.273 0.930 10 0 BCAERO CCCCS(=O)(=O)N[C@@H]1CC[NH2+]C[C@H]1F ZINC000685946377 538888233 /nfs/dbraw/zinc/88/82/33/538888233.db2.gz RMTTVDOJSMDUQM-RKDXNWHRSA-N 1 0 238.328 0.406 10 0 BCAERO CC[C@@]1(NS(=O)(=O)C(C)C)CCC[NH2+]C1 ZINC000685946891 538888412 /nfs/dbraw/zinc/88/84/12/538888412.db2.gz FUUGDODZORABMK-SNVBAGLBSA-N 1 0 234.365 0.846 10 0 BCAERO CCCS(=O)(=O)NC[C@@]12CC[C@H]1CC[NH2+]2 ZINC000685947113 538888937 /nfs/dbraw/zinc/88/89/37/538888937.db2.gz RJXOPVGIQNPGMF-UWVGGRQHSA-N 1 0 232.349 0.458 10 0 BCAERO CC(C)S(=O)(=O)N1CCCC2(C[NH2+]C2)C1 ZINC000685947920 538889648 /nfs/dbraw/zinc/88/96/48/538889648.db2.gz UATGEMXAIGBTIH-UHFFFAOYSA-N 1 0 232.349 0.410 10 0 BCAERO O=C(CC1CC1)N1CC2(C1)C[NH2+]CC2(F)F ZINC000685948505 538890919 /nfs/dbraw/zinc/89/09/19/538890919.db2.gz AHXCVVQYDYXRIW-UHFFFAOYSA-N 1 0 230.258 0.854 10 0 BCAERO CC(C)(C)OC(=O)c1noc(N)c1C[NH3+] ZINC000685948622 538891096 /nfs/dbraw/zinc/89/10/96/538891096.db2.gz CUGZKMKJGXIGJO-UHFFFAOYSA-N 1 0 213.237 0.671 10 0 BCAERO OC1(C[NH2+]C2CC2)CCC2(CC1)OCCO2 ZINC000685948699 538891172 /nfs/dbraw/zinc/89/11/72/538891172.db2.gz AITRVINPILGNOA-UHFFFAOYSA-N 1 0 227.304 0.787 10 0 BCAERO COCC(=O)N1CC[C@@]2([NH3+])CCCC[C@H]12 ZINC000685948601 538891404 /nfs/dbraw/zinc/89/14/04/538891404.db2.gz CHRCVZGLFRIPMQ-ONGXEEELSA-N 1 0 212.293 0.505 10 0 BCAERO CS(=O)(=O)N1CC[C@]2([NH3+])CCCC[C@H]12 ZINC000685949003 538891537 /nfs/dbraw/zinc/89/15/37/538891537.db2.gz HOYUOUMWULQDBT-DTWKUNHWSA-N 1 0 218.322 0.292 10 0 BCAERO OCC[NH+](CCO)[C@@H]1CCOC12CCCC2 ZINC000685948744 538891577 /nfs/dbraw/zinc/89/15/77/538891577.db2.gz DZZCNLOKCBAKJH-LLVKDONJSA-N 1 0 229.320 0.375 10 0 BCAERO CCS(=O)(=O)N[C@@]12CC[NH2+][C@H]1CCCC2 ZINC000685948808 538891977 /nfs/dbraw/zinc/89/19/77/538891977.db2.gz GCBHTMYZWGVKDY-UWVGGRQHSA-N 1 0 232.349 0.600 10 0 BCAERO O=S(=O)(N[C@@]12CC[NH2+][C@@H]1CCCC2)C1CC1 ZINC000685949524 538892262 /nfs/dbraw/zinc/89/22/62/538892262.db2.gz STYRRBNDBSBJOT-MNOVXSKESA-N 1 0 244.360 0.743 10 0 BCAERO CCNC(=O)N[C@@]12CC[NH2+][C@H]1CCCC2 ZINC000685949847 538893065 /nfs/dbraw/zinc/89/30/65/538893065.db2.gz YNLNYEOYCMVHGK-ONGXEEELSA-N 1 0 211.309 0.980 10 0 BCAERO CCNC(=O)N[C@]12CC[NH2+][C@H]1CCCC2 ZINC000685949843 538893167 /nfs/dbraw/zinc/89/31/67/538893167.db2.gz YNLNYEOYCMVHGK-GXSJLCMTSA-N 1 0 211.309 0.980 10 0 BCAERO CC[NH2+]C[C@H]1Cn2c(nnc2C2CC2)CN1 ZINC000685950009 538893430 /nfs/dbraw/zinc/89/34/30/538893430.db2.gz YKHBGHSVGIWFCI-VIFPVBQESA-N 1 0 221.308 0.237 10 0 BCAERO CC(C)[C@H](C)NC(=O)NC[C@]1(O)CC[NH2+]C1 ZINC000685950707 538894043 /nfs/dbraw/zinc/89/40/43/538894043.db2.gz WFGCYWGEMRXXMH-ONGXEEELSA-N 1 0 229.324 0.055 10 0 BCAERO CCOC(=O)Cn1cc2c(n1)[C@@H]([NH3+])CCC2 ZINC000685950801 538894421 /nfs/dbraw/zinc/89/44/21/538894421.db2.gz ZIMWGXLNJKVHCF-VIFPVBQESA-N 1 0 223.276 0.782 10 0 BCAERO CC(C)(C)OC(=O)c1n[nH]nc1CC[NH3+] ZINC000685952912 538894500 /nfs/dbraw/zinc/89/45/00/538894500.db2.gz GSIRAWGUERDIPF-UHFFFAOYSA-N 1 0 212.253 0.261 10 0 BCAERO CCOC(=O)Cn1cc2c(n1)[C@H]([NH3+])CCC2 ZINC000685950799 538894788 /nfs/dbraw/zinc/89/47/88/538894788.db2.gz ZIMWGXLNJKVHCF-SECBINFHSA-N 1 0 223.276 0.782 10 0 BCAERO COc1cc(-c2cnnn2C2C[NH2+]C2)sn1 ZINC000685951580 538895302 /nfs/dbraw/zinc/89/53/02/538895302.db2.gz BPPHFTWUTUJUCN-UHFFFAOYSA-N 1 0 237.288 0.555 10 0 BCAERO C[C@]1(C(=O)NCc2ccno2)CCCC[NH2+]1 ZINC000231892507 357638544 /nfs/dbraw/zinc/63/85/44/357638544.db2.gz ZRZMSUYSCYMGRI-LLVKDONJSA-N 1 0 223.276 0.823 10 0 BCAERO C[C@H]1OCCC[C@@H]1C(=O)NCC[NH+](C)C ZINC000190330932 357701140 /nfs/dbraw/zinc/70/11/40/357701140.db2.gz ICLGGZDUKLFXIO-ZJUUUORDSA-N 1 0 214.309 0.479 10 0 BCAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C(C)(C)O ZINC000233504202 357731843 /nfs/dbraw/zinc/73/18/43/357731843.db2.gz IQLWERNGLJSGML-JTQLQIEISA-N 1 0 228.336 0.700 10 0 BCAERO CN1CCO[C@@H](C[NH2+]C2CCC(O)CC2)C1 ZINC000234349506 357791376 /nfs/dbraw/zinc/79/13/76/357791376.db2.gz MOVRBSNNKDLBJR-MCIGGMRASA-N 1 0 228.336 0.210 10 0 BCAERO CO[C@H]1CCN(C(=O)[C@]2(C)CCCC[NH2+]2)C1 ZINC000234806672 357830659 /nfs/dbraw/zinc/83/06/59/357830659.db2.gz LSRDFACCXNCJGI-JQWIXIFHSA-N 1 0 226.320 0.766 10 0 BCAERO CO[C@H]1CCN(C(=O)[C@@]2(C)CCCC[NH2+]2)C1 ZINC000234802497 357830821 /nfs/dbraw/zinc/83/08/21/357830821.db2.gz LSRDFACCXNCJGI-CMPLNLGQSA-N 1 0 226.320 0.766 10 0 BCAERO COc1ncccc1C(=O)N1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000234890763 357840515 /nfs/dbraw/zinc/84/05/15/357840515.db2.gz XJAPLKWSGXOQKO-SCZZXKLOSA-N 1 0 235.287 0.509 10 0 BCAERO C[C@@H]1CN(C(=O)Cc2ccccc2O)C[C@H]1[NH3+] ZINC000235338667 357866355 /nfs/dbraw/zinc/86/63/55/357866355.db2.gz YLZZCBSGYUXKIJ-MWLCHTKSSA-N 1 0 234.299 0.740 10 0 BCAERO Cc1cc(C)n(CC(=O)N2C[C@@H](C)[C@@H]([NH3+])C2)n1 ZINC000235340081 357866399 /nfs/dbraw/zinc/86/63/99/357866399.db2.gz MBQSMUNBQVAHPJ-KCJUWKMLSA-N 1 0 236.319 0.306 10 0 BCAERO CCCCOC[C@H](O)C[N@@H+]1CCC[C@H](CO)C1 ZINC000193247489 357871533 /nfs/dbraw/zinc/87/15/33/357871533.db2.gz ZLSPMUQZTVVHJE-QWHCGFSZSA-N 1 0 245.363 0.868 10 0 BCAERO CCCCOC[C@@H](O)C[N@@H+]1CCC[C@H](CO)C1 ZINC000193247503 357871543 /nfs/dbraw/zinc/87/15/43/357871543.db2.gz ZLSPMUQZTVVHJE-STQMWFEESA-N 1 0 245.363 0.868 10 0 BCAERO CCn1ncnc1CN1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000193348119 357878039 /nfs/dbraw/zinc/87/80/39/357878039.db2.gz NMKBKSIMTLSWOX-NWDGAFQWSA-N 1 0 249.362 0.967 10 0 BCAERO C[C@@H](CNC(=O)C[C@@H]1CCC[NH2+]C1)C[C@H](C)O ZINC000398637166 357888755 /nfs/dbraw/zinc/88/87/55/357888755.db2.gz RCQCZJCBUSEVCC-WOPDTQHZSA-N 1 0 242.363 0.899 10 0 BCAERO C[NH2+][C@H](C)C(=O)NC[C@H](C)C[C@H](C)O ZINC000398651047 357889113 /nfs/dbraw/zinc/88/91/13/357889113.db2.gz YLGGFOFYXIPQPR-HRDYMLBCSA-N 1 0 202.298 0.118 10 0 BCAERO CCC[C@H](O)CNC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000217957075 357917691 /nfs/dbraw/zinc/91/76/91/357917691.db2.gz VTKRRUPKIXZGLT-QWRGUYRKSA-N 1 0 228.336 0.653 10 0 BCAERO CCCCOC[C@H](O)C[NH2+]CC(=O)N(C)CC ZINC000218083843 357919043 /nfs/dbraw/zinc/91/90/43/357919043.db2.gz PFWSAYXCWWFILM-LLVKDONJSA-N 1 0 246.351 0.232 10 0 BCAERO CCc1nnc(CN2CC[C@H]3[NH2+]CC[C@H]3C2)n1C ZINC000583753552 357935076 /nfs/dbraw/zinc/93/50/76/357935076.db2.gz RSLABSZYGUTQGA-WDEREUQCSA-N 1 0 249.362 0.561 10 0 BCAERO C[C@@H]1C[C@H](O)CC[N@@H+]1CCc1cn[nH]c1 ZINC000639939221 357946741 /nfs/dbraw/zinc/94/67/41/357946741.db2.gz ZKVHXMYWKJNWSL-MWLCHTKSSA-N 1 0 209.293 0.797 10 0 BCAERO C[C@@H]1C[C@H](O)CC[N@@H+]1CC(=O)NC1CC1 ZINC000639940386 357953980 /nfs/dbraw/zinc/95/39/80/357953980.db2.gz ALTOESXTNLHXGN-PSASIEDQSA-N 1 0 212.293 0.110 10 0 BCAERO C[C@@H]1C[C@H](O)CCN1Cc1cc(=O)c(O)co1 ZINC000639941010 357957253 /nfs/dbraw/zinc/95/72/53/357957253.db2.gz FPJMZNPMMRULBO-RKDXNWHRSA-N 1 0 239.271 0.691 10 0 BCAERO COC[C@@](C)(CO)[NH2+]C[C@@H](O)COC(C)(C)C ZINC000639950948 357972956 /nfs/dbraw/zinc/97/29/56/357972956.db2.gz DGBKYSRNEJNYCF-ZYHUDNBSSA-N 1 0 249.351 0.149 10 0 BCAERO CCOC(=O)CN(CC)C[C@H]1CCC[NH2+]C1 ZINC000220367077 358038184 /nfs/dbraw/zinc/03/81/84/358038184.db2.gz IGBGTVKHTOTBAN-NSHDSACASA-N 1 0 228.336 0.871 10 0 BCAERO NC(=O)c1ccc(CN2CC[NH2+]CC2)c(F)c1 ZINC000019479568 181294646 /nfs/dbraw/zinc/29/46/46/181294646.db2.gz VTPAGUDWRVBLJP-UHFFFAOYSA-N 1 0 237.278 0.330 10 0 BCAERO CN(CCC[NH3+])c1ncnc2c1cnn2C ZINC000037673621 358091892 /nfs/dbraw/zinc/09/18/92/358091892.db2.gz PDJQXDSXUKURNK-UHFFFAOYSA-N 1 0 220.280 0.148 10 0 BCAERO CC[C@@H](C(N)=O)[N@@H+]1CCS[C@@H](C)C1 ZINC000221539353 358094626 /nfs/dbraw/zinc/09/46/26/358094626.db2.gz OMLASPVSJXLXCK-YUMQZZPRSA-N 1 0 202.323 0.688 10 0 BCAERO CCc1nnc(CN2CCC(C[NH3+])CC2)n1C ZINC000584780598 358175959 /nfs/dbraw/zinc/17/59/59/358175959.db2.gz FNJKYAGCQTVNLM-UHFFFAOYSA-N 1 0 237.351 0.548 10 0 BCAERO COC(C)(C)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171605700 134259723 /nfs/dbraw/zinc/25/97/23/134259723.db2.gz HXXQPXGEWZKELB-SNVBAGLBSA-N 1 0 226.320 0.718 10 0 BCAERO O=C(NC1C[NH2+]C1)c1cc(F)cc(F)c1 ZINC000085255703 134261968 /nfs/dbraw/zinc/26/19/68/134261968.db2.gz GMVVMWDGAUOYSC-UHFFFAOYSA-N 1 0 212.199 0.666 10 0 BCAERO O=C(NC1C[NH2+]C1)c1ccc(Cl)cn1 ZINC000085255781 134261987 /nfs/dbraw/zinc/26/19/87/134261987.db2.gz VHUPHXMMHBLBMH-UHFFFAOYSA-N 1 0 211.652 0.437 10 0 BCAERO CO[C@@H](C)CNC(=O)C[C@H]1CCC[NH2+]C1 ZINC000223759215 358230548 /nfs/dbraw/zinc/23/05/48/358230548.db2.gz IFALNTDQTPJBSZ-VHSXEESVSA-N 1 0 214.309 0.527 10 0 BCAERO CCC(=O)NCC[NH2+]C[C@H](O)c1ccccc1 ZINC000040504351 358238148 /nfs/dbraw/zinc/23/81/48/358238148.db2.gz XDFFVHXTBRAEAI-LBPRGKRZSA-N 1 0 236.315 0.836 10 0 BCAERO CC(C)C[C@@H](CO)[NH2+]C[C@@H](O)COC(C)C ZINC000040777090 358245913 /nfs/dbraw/zinc/24/59/13/358245913.db2.gz BLOJBAHBJMAXIT-NWDGAFQWSA-N 1 0 233.352 0.769 10 0 BCAERO CC(C)Cc1nc(C(N)=[NH2+])cn2ncnc12 ZINC000584612588 358276403 /nfs/dbraw/zinc/27/64/03/358276403.db2.gz HFRWRILRANNLCW-UHFFFAOYSA-N 1 0 218.264 0.607 10 0 BCAERO Cn1cc(C2([NH3+])COC(C)(C)OC2)cn1 ZINC000584614771 358279663 /nfs/dbraw/zinc/27/96/63/358279663.db2.gz IJJXRGHWBBAZDI-UHFFFAOYSA-N 1 0 211.265 0.357 10 0 BCAERO Brc1cnc([C@@H]2C[NH2+]CCO2)nc1 ZINC000584607129 358267374 /nfs/dbraw/zinc/26/73/74/358267374.db2.gz JAPNDVYMPFGQGO-ZETCQYMHSA-N 1 0 244.092 0.900 10 0 BCAERO O[C@H]1CCC=C(Cl)[C@H]1[C@H]1C[NH2+]CCO1 ZINC000584607287 358267678 /nfs/dbraw/zinc/26/76/78/358267678.db2.gz SWHQOJCIBRJUEH-IVZWLZJFSA-N 1 0 217.696 0.868 10 0 BCAERO O[C@H]1CCC=C(Cl)[C@H]1[C@@H]1C[NH2+]CCO1 ZINC000584607290 358267712 /nfs/dbraw/zinc/26/77/12/358267712.db2.gz SWHQOJCIBRJUEH-LPEHRKFASA-N 1 0 217.696 0.868 10 0 BCAERO CC1(C[C@H]2[NH2+]CCC[C@@H]2O)OCCO1 ZINC000584608124 358268559 /nfs/dbraw/zinc/26/85/59/358268559.db2.gz STGPHJPCSSMBIS-BDAKNGLRSA-N 1 0 201.266 0.252 10 0 BCAERO CN(C)c1cc(C(N)=O)nc(C2CC[NH2+]CC2)c1 ZINC000584628797 358298191 /nfs/dbraw/zinc/29/81/91/358298191.db2.gz SERPZRBVRYCRCE-UHFFFAOYSA-N 1 0 248.330 0.714 10 0 BCAERO C[C@@H]1Cn2ncc(N3CCCC3=O)c2C[NH2+]1 ZINC000584629319 358298534 /nfs/dbraw/zinc/29/85/34/358298534.db2.gz OYSCWRFVVXVQCG-MRVPVSSYSA-N 1 0 220.276 0.502 10 0 BCAERO Cc1nc(-c2cnn3c2C[NH2+]CC3)ncc1F ZINC000584648794 358303354 /nfs/dbraw/zinc/30/33/54/358303354.db2.gz SKNHBUPAWHCVBE-UHFFFAOYSA-N 1 0 233.250 0.891 10 0 BCAERO FC(F)(F)Cn1nnnc1C1CC[NH2+]CC1 ZINC000584643554 358328706 /nfs/dbraw/zinc/32/87/06/358328706.db2.gz PJYHVPZEZBUKDJ-UHFFFAOYSA-N 1 0 235.213 0.702 10 0 BCAERO Cc1noc(C)c1CC(=O)N(C)C1C[NH2+]C1 ZINC000085257692 134269668 /nfs/dbraw/zinc/26/96/68/134269668.db2.gz WIVVAPKKAUKDSB-UHFFFAOYSA-N 1 0 223.276 0.264 10 0 BCAERO CN(C(=O)c1ccccc1F)C1C[NH2+]C1 ZINC000085257691 134269723 /nfs/dbraw/zinc/26/97/23/134269723.db2.gz CPYMDDYPABDOPT-UHFFFAOYSA-N 1 0 208.236 0.870 10 0 BCAERO C[C@H](CCO)C[NH2+][C@@H]1CCCC[C@H]1O ZINC000226233252 358336775 /nfs/dbraw/zinc/33/67/75/358336775.db2.gz KMWCJJXMMNXCFK-GMTAPVOTSA-N 1 0 201.310 0.898 10 0 BCAERO C[NH2+][C@H](C)C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000227326565 358354221 /nfs/dbraw/zinc/35/42/21/358354221.db2.gz PUYKXQWPMKZWTN-FXAINCCUSA-N 1 0 234.299 0.369 10 0 BCAERO CCCNS(=O)(=O)N(C)[C@H]1CCC[NH2+]CC1 ZINC000226463551 358340284 /nfs/dbraw/zinc/34/02/84/358340284.db2.gz CSMIPQPJUWUBCX-JTQLQIEISA-N 1 0 249.380 0.305 10 0 BCAERO C[C@H]([NH3+])CCNC(=O)[C@H]1[C@@H](C)[C@@H](C)O[C@H]1C ZINC000252681221 366419194 /nfs/dbraw/zinc/41/91/94/366419194.db2.gz GWZLJHZZQSFKMX-HHKYUTTNSA-N 1 0 228.336 0.899 10 0 BCAERO CC[C@@H](O)C[N@@H+]1C[C@@H](C)[C@H](N(C)C)C1 ZINC000227234286 358352652 /nfs/dbraw/zinc/35/26/52/358352652.db2.gz HUHUVXFDFQMHAQ-GMTAPVOTSA-N 1 0 200.326 0.639 10 0 BCAERO CC(C)[C@H](CCO)NC(=O)[C@@]1(C)CCC[NH2+]1 ZINC000227427182 358356646 /nfs/dbraw/zinc/35/66/46/358356646.db2.gz UHFMCMKKECGWRD-CMPLNLGQSA-N 1 0 228.336 0.652 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)NCc1cccc(CO)c1 ZINC000227426458 358356891 /nfs/dbraw/zinc/35/68/91/358356891.db2.gz SZPBSHCNAWPRMP-ZWNOBZJWSA-N 1 0 248.326 0.651 10 0 BCAERO CCCCOC[C@H](O)C[NH2+]Cc1nccn1C ZINC000227892552 358365186 /nfs/dbraw/zinc/36/51/86/358365186.db2.gz HOYIFBUKIIHEII-LLVKDONJSA-N 1 0 241.335 0.687 10 0 BCAERO CCCCOC[C@H](O)C[NH2+]CCC(=O)N(C)C ZINC000227891360 358365222 /nfs/dbraw/zinc/36/52/22/358365222.db2.gz GPKFBARZTROKRB-LLVKDONJSA-N 1 0 246.351 0.232 10 0 BCAERO CCCCOC[C@H](O)C[NH2+][C@@H]1CCCOC1 ZINC000227892633 358365352 /nfs/dbraw/zinc/36/53/52/358365352.db2.gz LSGNVBCHPGAWMU-VXGBXAGGSA-N 1 0 231.336 0.933 10 0 BCAERO CCCCOC[C@@H](O)C[NH2+]Cc1ccn(C)n1 ZINC000227895316 358365900 /nfs/dbraw/zinc/36/59/00/358365900.db2.gz DSSDIBGJUUTTRJ-LBPRGKRZSA-N 1 0 241.335 0.687 10 0 BCAERO C[NH+](C)[C@H]1CCN(C(=O)Cc2ccc(N)cn2)C1 ZINC000229621910 358405192 /nfs/dbraw/zinc/40/51/92/358405192.db2.gz FBTAUUYMGSKLQY-LBPRGKRZSA-N 1 0 248.330 0.369 10 0 BCAERO C[C@@H](NC(=O)[C@@H]1C[NH2+]C[C@H]1C)c1cn[nH]c1 ZINC000229704370 358406827 /nfs/dbraw/zinc/40/68/27/358406827.db2.gz PWCLVJGRADKMNC-NQMVMOMDSA-N 1 0 222.292 0.442 10 0 BCAERO O=C(NCC(F)(F)C(F)F)[C@@H]1CC[NH2+]C1 ZINC000230691751 358409274 /nfs/dbraw/zinc/40/92/74/358409274.db2.gz SSRCXVCFGOSFBN-RXMQYKEDSA-N 1 0 228.189 0.613 10 0 BCAERO COc1cc(-c2noc([C@@H]3CC[NH2+]C3)n2)ncn1 ZINC000230142742 358394721 /nfs/dbraw/zinc/39/47/21/358394721.db2.gz LWGJEAUGPVNWBF-SSDOTTSWSA-N 1 0 247.258 0.612 10 0 BCAERO COC[C@H](O)CC[NH2+][C@@H]1CCCC[C@H]1O ZINC000230160530 358394786 /nfs/dbraw/zinc/39/47/86/358394786.db2.gz BACKFGGTGWHWEP-GMTAPVOTSA-N 1 0 217.309 0.277 10 0 BCAERO CCOC(=O)CN(CC)C[C@@H]1CCC[N@@H+]1C ZINC000387299906 363609614 /nfs/dbraw/zinc/60/96/14/363609614.db2.gz AJSLSKGATYCWBE-NSHDSACASA-N 1 0 228.336 0.966 10 0 BCAERO C[C@]1(NC(=O)C[C@H]2CCC[NH2+]C2)CCOC1 ZINC000229459398 358403344 /nfs/dbraw/zinc/40/33/44/358403344.db2.gz QUPUDAAMYLOPEE-PWSUYJOCSA-N 1 0 226.320 0.671 10 0 BCAERO CC(C)CNC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000117022276 358451248 /nfs/dbraw/zinc/45/12/48/358451248.db2.gz XCARGEJHCRRZQM-NSHDSACASA-N 1 0 243.351 0.614 10 0 BCAERO CCc1cnc(CNC(=O)[C@H]2CCC[NH2+]C2)o1 ZINC000231644813 358417921 /nfs/dbraw/zinc/41/79/21/358417921.db2.gz UIGRASZXLPWLBW-VIFPVBQESA-N 1 0 237.303 0.853 10 0 BCAERO CCOC(=O)CC[C@@H](O)C[NH2+]CC[C@@H](C)O ZINC000385496856 358441794 /nfs/dbraw/zinc/44/17/94/358441794.db2.gz DVEGRECNWQTKQF-NXEZZACHSA-N 1 0 233.308 0.051 10 0 BCAERO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCNC2=O)CN1C1CC1 ZINC000130087718 358607044 /nfs/dbraw/zinc/60/70/44/358607044.db2.gz ZXEYNTALZUGXKQ-JFGNBEQYSA-N 1 0 237.347 0.480 10 0 BCAERO CC[C@H](CN)[N@@H+]1CCC[C@](C)(O)CC1 ZINC000300237449 358589495 /nfs/dbraw/zinc/58/94/95/358589495.db2.gz BCIWFAFNWBJPQZ-MNOVXSKESA-N 1 0 200.326 0.961 10 0 BCAERO CCN1CCC[C@H]([NH2+]Cc2cnnn2C)C1 ZINC000129723883 358594905 /nfs/dbraw/zinc/59/49/05/358594905.db2.gz ZUTOCSCENQIOJG-JTQLQIEISA-N 1 0 223.324 0.389 10 0 BCAERO COC(=O)CCCC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000131124741 358661671 /nfs/dbraw/zinc/66/16/71/358661671.db2.gz KYPNJYQBIIGHGI-SNVBAGLBSA-N 1 0 242.319 0.492 10 0 BCAERO C[C@H]([NH2+]CC(=O)N(C)C1CC1)[C@@H]1CCCO1 ZINC000049304896 358681484 /nfs/dbraw/zinc/68/14/84/358681484.db2.gz JVIGSCNVHJIKID-ONGXEEELSA-N 1 0 226.320 0.764 10 0 BCAERO Cc1c([C@@H](C)[NH3+])cnn1-c1ncccn1 ZINC000035728339 358746537 /nfs/dbraw/zinc/74/65/37/358746537.db2.gz UKNNAVPYEQKKCY-SSDOTTSWSA-N 1 0 203.249 0.990 10 0 BCAERO CC[N@@H+]1CCC[C@@H](NCc2nccn2C)C1 ZINC000051924010 358768425 /nfs/dbraw/zinc/76/84/25/358768425.db2.gz WNYXPBALQKHVHR-LLVKDONJSA-N 1 0 222.336 0.994 10 0 BCAERO COc1c(C[NH2+]CCn2cccn2)c(C)nn1C ZINC000134138536 358780656 /nfs/dbraw/zinc/78/06/56/358780656.db2.gz AYUHKXYADYVIFT-UHFFFAOYSA-N 1 0 249.318 0.723 10 0 BCAERO CCN(C)C(=O)C[N@@H+]1CCC[C@H]1CCCO ZINC000052762446 358792660 /nfs/dbraw/zinc/79/26/60/358792660.db2.gz LOSCIGFOKXQSDP-NSHDSACASA-N 1 0 228.336 0.702 10 0 BCAERO O=C(C[N@H+]1CCC[C@H]1CCCO)N1CCC1 ZINC000052763080 358793217 /nfs/dbraw/zinc/79/32/17/358793217.db2.gz CMGWVHNLYUXICN-NSHDSACASA-N 1 0 226.320 0.456 10 0 BCAERO C[C@H](O)CC[NH2+][C@H]1CCC(=O)N[C@H]1C ZINC000393025201 259481170 /nfs/dbraw/zinc/48/11/70/259481170.db2.gz HZYXYCFZVCIPBK-CIUDSAMLSA-N 1 0 200.282 0.014 10 0 BCAERO C[N@@H+]1CC[C@@H](n2c(=O)cc(Cl)[nH]c2=O)C1 ZINC000160842671 358963367 /nfs/dbraw/zinc/96/33/67/358963367.db2.gz MGTYALMJFWYLLY-ZCFIWIBFSA-N 1 0 229.667 0.067 10 0 BCAERO C[C@@H]1OCC[C@@H]1S[C@H]1C[NH2+]C[C@H]1O ZINC000300337768 358963385 /nfs/dbraw/zinc/96/33/85/358963385.db2.gz OUSURMMUXFELMU-KZVJFYERSA-N 1 0 203.307 0.230 10 0 BCAERO CNC(=S)N[C@@H]1CCC[N@H+](C)[C@H]1C ZINC000306161971 358964944 /nfs/dbraw/zinc/96/49/44/358964944.db2.gz QIFZFJGJPGQDPD-JGVFFNPUSA-N 1 0 201.339 0.563 10 0 BCAERO C[C@@H](CC(N)=S)[N@@H+]1CCN(C)C[C@H]1C ZINC000300357479 358970627 /nfs/dbraw/zinc/97/06/27/358970627.db2.gz ZSPZBQVUZTVDJK-DTWKUNHWSA-N 1 0 215.366 0.687 10 0 BCAERO CC[C@H](NC(=O)[C@@H]1CNC(=O)C1)c1ncc[nH]1 ZINC000141582221 358932081 /nfs/dbraw/zinc/93/20/81/358932081.db2.gz QCIRYKHJLFPHIL-YUMQZZPRSA-N 1 0 236.275 0.113 10 0 BCAERO CN1CC[C@@H]([NH2+]CC2(F)CCC2)C1=O ZINC000306154934 358941244 /nfs/dbraw/zinc/94/12/44/358941244.db2.gz BQYFIGKCTHEABS-MRVPVSSYSA-N 1 0 200.257 0.699 10 0 BCAERO C[C@H]([NH3+])C(=O)Nn1cc(Br)cn1 ZINC000306157503 358949427 /nfs/dbraw/zinc/94/94/27/358949427.db2.gz CCCHOJVVOSDYMS-BYPYZUCNSA-N 1 0 233.069 0.063 10 0 BCAERO COc1ncc([C@@]2(O)CC[NH2+]C2)s1 ZINC000306157415 358949483 /nfs/dbraw/zinc/94/94/83/358949483.db2.gz IWAUCKUJECADIA-MRVPVSSYSA-N 1 0 200.263 0.333 10 0 BCAERO CS(C)(=O)=NC(=O)C1=CC[C@@H]([NH3+])C1 ZINC000306193267 359020583 /nfs/dbraw/zinc/02/05/83/359020583.db2.gz UJOBRRPKYLKSTI-NKWVEPMBSA-N 1 0 202.279 0.144 10 0 BCAERO CC(C)[C@@H]([NH3+])CNc1ccnc(C(N)=O)c1 ZINC000070010758 359037824 /nfs/dbraw/zinc/03/78/24/359037824.db2.gz NHQZCVHOJZMUFG-VIFPVBQESA-N 1 0 222.292 0.576 10 0 BCAERO CC(C)[C@@H]([NH3+])CNc1ncnc2nc[nH]c21 ZINC000070010546 359037907 /nfs/dbraw/zinc/03/79/07/359037907.db2.gz YSIDPJSKNPPFAV-ZETCQYMHSA-N 1 0 220.280 0.748 10 0 BCAERO COCCOCC[N@@H+]1CCC[C@H]1CCCO ZINC000070029828 359040316 /nfs/dbraw/zinc/04/03/16/359040316.db2.gz WYKUTEKXWOSVHO-LBPRGKRZSA-N 1 0 231.336 0.886 10 0 BCAERO C[C@@H]1SCCC[C@H]1[NH2+][C@H]1CNC(=O)C1 ZINC000300393759 358987633 /nfs/dbraw/zinc/98/76/33/358987633.db2.gz FNXSUFSTXXOIFN-DJLDLDEBSA-N 1 0 214.334 0.749 10 0 BCAERO C[C@@H]1SCC[C@H]1[NH2+][C@H]1CNC(=O)C1 ZINC000300395100 358987718 /nfs/dbraw/zinc/98/77/18/358987718.db2.gz SOPRMPLZJCQZCW-XLPZGREQSA-N 1 0 200.307 0.359 10 0 BCAERO [NH3+][C@@]1(C2CCCC2)CCS(=O)(=O)C1 ZINC000306186224 359001633 /nfs/dbraw/zinc/00/16/33/359001633.db2.gz ADHLLEDALQKNDJ-VIFPVBQESA-N 1 0 203.307 0.693 10 0 BCAERO CCOC(=O)CC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000073123917 359095729 /nfs/dbraw/zinc/09/57/29/359095729.db2.gz GOHUKGTTZZNLSM-SNVBAGLBSA-N 1 0 242.319 0.492 10 0 BCAERO Cc1nccn1C[C@H]1CCC[N@H+]1[C@H](C)C(N)=O ZINC000246975469 359178896 /nfs/dbraw/zinc/17/88/96/359178896.db2.gz JKKAESDHJJFTBK-MWLCHTKSSA-N 1 0 236.319 0.530 10 0 BCAERO Nc1ccnc(CN2CC[N@@H+]3CCCC[C@H]3C2)n1 ZINC000247041672 359189846 /nfs/dbraw/zinc/18/98/46/359189846.db2.gz YVILXXRKEPVGKB-NSHDSACASA-N 1 0 247.346 0.729 10 0 BCAERO CCc1nc(CN2CC[N@@H+]3CCC[C@H]3C2)no1 ZINC000247050605 359191405 /nfs/dbraw/zinc/19/14/05/359191405.db2.gz FHCZFDVSDGPMIA-JTQLQIEISA-N 1 0 236.319 0.912 10 0 BCAERO CC[C@H](C)CS(=O)(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000247089060 359193771 /nfs/dbraw/zinc/19/37/71/359193771.db2.gz IBXATJYGTZPFOA-WDEREUQCSA-N 1 0 248.392 0.998 10 0 BCAERO COCCC[N@@H+]1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000246554152 359146691 /nfs/dbraw/zinc/14/66/91/359146691.db2.gz UGHNGLUUJZQLIN-CHWSQXEVSA-N 1 0 242.363 0.675 10 0 BCAERO CCOCC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000246843566 359169063 /nfs/dbraw/zinc/16/90/63/359169063.db2.gz FCQXPFJBSTZJPI-GHMZBOCLSA-N 1 0 228.336 0.868 10 0 BCAERO c1cc(CN2CC[C@H]3OCC[NH2+][C@H]3C2)ccn1 ZINC000404193173 359170411 /nfs/dbraw/zinc/17/04/11/359170411.db2.gz LYPAXOUGSCJIOV-QWHCGFSZSA-N 1 0 233.315 0.644 10 0 BCAERO COCCC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000246859139 359171377 /nfs/dbraw/zinc/17/13/77/359171377.db2.gz FOCGDCFVNOCYPA-GHMZBOCLSA-N 1 0 228.336 0.868 10 0 BCAERO CC[C@@H](O)C[N@@H+]1CCN(CCOC)[C@@H](C)C1 ZINC000247507943 359228686 /nfs/dbraw/zinc/22/86/86/359228686.db2.gz MFWXAPNWHSHCGT-NWDGAFQWSA-N 1 0 230.352 0.410 10 0 BCAERO C[C@H](O)CN1CC[N@H+](CCCCCO)C[C@H]1C ZINC000247223935 359201919 /nfs/dbraw/zinc/20/19/19/359201919.db2.gz QSQWGNWGZLEXCV-OLZOCXBDSA-N 1 0 244.379 0.536 10 0 BCAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1CCS(C)(=O)=O ZINC000247243746 359202836 /nfs/dbraw/zinc/20/28/36/359202836.db2.gz NFHOMBWSXQIDMM-QWRGUYRKSA-N 1 0 246.376 0.200 10 0 BCAERO CCOCC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000247311663 359211979 /nfs/dbraw/zinc/21/19/79/359211979.db2.gz OCKXCRDTPWZCCZ-MNOVXSKESA-N 1 0 226.320 0.718 10 0 BCAERO CC(C)[C@H]([NH3+])[C@H]1CCS(=O)(=O)[C@@H]1C ZINC000306206736 359298252 /nfs/dbraw/zinc/29/82/52/359298252.db2.gz VKXBMLQDYZDLMF-VGMNWLOBSA-N 1 0 205.323 0.793 10 0 BCAERO CC(C)NC(=O)CN1CC[N@@H+]2CCCC[C@H]2C1 ZINC000248367735 359271584 /nfs/dbraw/zinc/27/15/84/359271584.db2.gz UJZPQPCIRPYUQJ-LBPRGKRZSA-N 1 0 239.363 0.681 10 0 BCAERO CC(C)C[C@@H]([NH3+])C(=O)NC1=NCCS1 ZINC000306227253 359355418 /nfs/dbraw/zinc/35/54/18/359355418.db2.gz GWOKGBXXHLHTAW-SSDOTTSWSA-N 1 0 215.322 0.579 10 0 BCAERO C[C@H]1CCN(Cc2csnn2)C[C@H]1[NH3+] ZINC000306217933 359329557 /nfs/dbraw/zinc/32/95/57/359329557.db2.gz DRRRKTJSQQUNSG-IONNQARKSA-N 1 0 212.322 0.707 10 0 BCAERO O[C@H]1COCC[C@H]1[NH2+]Cc1cn2ccccc2n1 ZINC000623764324 359341084 /nfs/dbraw/zinc/34/10/84/359341084.db2.gz CCAAMTAYWBAMPE-NEPJUHHUSA-N 1 0 247.298 0.574 10 0 BCAERO CC[C@@](C)([C@@H](C)O)[NH+]1CCC(O)CC1 ZINC000306221631 359343402 /nfs/dbraw/zinc/34/34/02/359343402.db2.gz QBFOGDDXIGUTCW-KOLCDFICSA-N 1 0 201.310 0.993 10 0 BCAERO C[NH2+]C[C@@]1(O)CCO[C@H](C(F)(F)F)C1 ZINC000306245275 359427659 /nfs/dbraw/zinc/42/76/59/359427659.db2.gz UZGMIDVETFSDAT-NKWVEPMBSA-N 1 0 213.199 0.678 10 0 BCAERO CN1CC[C@@H]([NH2+][C@@H]2CSC2(C)C)C1=O ZINC000306250430 359448171 /nfs/dbraw/zinc/44/81/71/359448171.db2.gz SHZWYLXZQGXFJV-HTQZYQBOSA-N 1 0 214.334 0.701 10 0 BCAERO CC(C)[NH2+][C@]1(C(N)=O)CSC[C@@H]1C ZINC000306259475 359472569 /nfs/dbraw/zinc/47/25/69/359472569.db2.gz TUYSNBYSSOPWRR-IONNQARKSA-N 1 0 202.323 0.591 10 0 BCAERO [NH3+]CC(=O)Nc1nc(Cl)ncc1F ZINC000306259979 359478028 /nfs/dbraw/zinc/47/80/28/359478028.db2.gz ULDDMCJPPMCJMX-UHFFFAOYSA-N 1 0 204.592 0.166 10 0 BCAERO CC(C)(O)C[NH2+][C@H]1CCC[C@]1(C)CO ZINC000379582995 359554175 /nfs/dbraw/zinc/55/41/75/359554175.db2.gz MRDYBKNPZNJTGL-GXSJLCMTSA-N 1 0 201.310 0.898 10 0 BCAERO COC(C)(C)CN(C)C(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000404333958 359578068 /nfs/dbraw/zinc/57/80/68/359578068.db2.gz DUZXZWCPCNPGFW-UWVGGRQHSA-N 1 0 228.336 0.997 10 0 BCAERO C[NH2+]Cc1cnc(C2OCCO2)s1 ZINC000306325570 359609117 /nfs/dbraw/zinc/60/91/17/359609117.db2.gz LNIHGWWBNATEDK-UHFFFAOYSA-N 1 0 200.263 0.908 10 0 BCAERO C[C@H](CCO)Nc1[nH+]ncc(N)c1Cl ZINC000306326024 359610249 /nfs/dbraw/zinc/61/02/49/359610249.db2.gz WTQQGOQQSROAQB-RXMQYKEDSA-N 1 0 216.672 0.895 10 0 BCAERO O=C1NCCC[C@@H]1[NH2+]C[C@@H]1CCSC1 ZINC000224410511 359613020 /nfs/dbraw/zinc/61/30/20/359613020.db2.gz PZXCTKJSSOXFDT-IUCAKERBSA-N 1 0 214.334 0.608 10 0 BCAERO O[C@H]1COCC[C@H]1[NH2+]Cc1cccnc1 ZINC000623764634 359625135 /nfs/dbraw/zinc/62/51/35/359625135.db2.gz IALJQWTXKHWOGG-MNOVXSKESA-N 1 0 208.261 0.321 10 0 BCAERO CCCn1cc(C[NH2+][C@H]2CCOC[C@@H]2O)cn1 ZINC000623764873 359632356 /nfs/dbraw/zinc/63/23/56/359632356.db2.gz LFBAFZKVUAFJME-RYUDHWBXSA-N 1 0 239.319 0.533 10 0 BCAERO Cc1ccoc1C[NH2+][C@H]1CCOC[C@H]1O ZINC000623764931 359632536 /nfs/dbraw/zinc/63/25/36/359632536.db2.gz LRPSESUBONIIKX-VHSXEESVSA-N 1 0 211.261 0.827 10 0 BCAERO Cc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2O)o1 ZINC000623764968 359635272 /nfs/dbraw/zinc/63/52/72/359635272.db2.gz MBQFWTNLKGIEOF-MNOVXSKESA-N 1 0 211.261 0.827 10 0 BCAERO COC(=O)C(C)(C)NC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000089453424 359643634 /nfs/dbraw/zinc/64/36/34/359643634.db2.gz YZYBXAYWGGXZFY-DTWKUNHWSA-N 1 0 242.319 0.429 10 0 BCAERO NNc1cc(C(N)=O)c(Br)c[nH+]1 ZINC000306349561 359669353 /nfs/dbraw/zinc/66/93/53/359669353.db2.gz JVOPQTTYLGBVBI-UHFFFAOYSA-N 1 0 231.053 0.229 10 0 BCAERO CC(C)([NH3+])CN1CCC[C@@](C)(CO)C1 ZINC000306353436 359681194 /nfs/dbraw/zinc/68/11/94/359681194.db2.gz IHMUEYDDWSGMEI-LLVKDONJSA-N 1 0 200.326 0.818 10 0 BCAERO C[NH2+]C[C@@H]1C[C@]12CCS(=O)(=O)[C@H]2C ZINC000306389048 359743825 /nfs/dbraw/zinc/74/38/25/359743825.db2.gz QGIZVNMVXHFANI-CIUDSAMLSA-N 1 0 203.307 0.419 10 0 BCAERO CC1(C[NH2+][C@@H]2CCCOC2)OCCO1 ZINC000306397501 359762151 /nfs/dbraw/zinc/76/21/51/359762151.db2.gz JKOABPAPGNFZDD-SECBINFHSA-N 1 0 201.266 0.518 10 0 BCAERO C[C@@H]1CN(C)C[C@@H]1[NH2+][C@H]1CCC[C@H](O)C1 ZINC000309112646 491144856 /nfs/dbraw/zinc/14/48/56/491144856.db2.gz KFLNSOWVEPYIEK-RHYQMDGZSA-N 1 0 212.337 0.830 10 0 BCAERO C[C@@H]1CC[NH2+][C@@H]1C(=O)N[C@@H]1CCSC1 ZINC000231353529 359904293 /nfs/dbraw/zinc/90/42/93/359904293.db2.gz AEWWOZIJNISIIY-HLTSFMKQSA-N 1 0 214.334 0.606 10 0 BCAERO Cc1nn(C)cc1[C@@H](C)[NH2+][C@H]1CCCNC1=O ZINC000087409677 359911210 /nfs/dbraw/zinc/91/12/10/359911210.db2.gz REFIVNMDTRUCFK-KCJUWKMLSA-N 1 0 236.319 0.658 10 0 BCAERO C[C@@H](C(=O)N[C@H]1CC[NH2+]C1)C(C)(F)F ZINC000306440537 359951362 /nfs/dbraw/zinc/95/13/62/359951362.db2.gz QPFKTNJNXOJFCF-BQBZGAKWSA-N 1 0 206.236 0.756 10 0 BCAERO Cc1nc(C[NH2+][C@@H]2CCC(=O)N[C@H]2C)[nH]c1C ZINC000578787486 366650366 /nfs/dbraw/zinc/65/03/66/366650366.db2.gz QPIQXRYDKLNWIH-VHSXEESVSA-N 1 0 236.319 0.783 10 0 BCAERO Cc1nc[nH]c1CNC(=O)[C@@]1(C)CCC[NH2+]1 ZINC000380243814 366678298 /nfs/dbraw/zinc/67/82/98/366678298.db2.gz WTHVYWYXJJJRFD-LLVKDONJSA-N 1 0 222.292 0.476 10 0 BCAERO C[C@@H](O)C1CCN(C(=O)[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000578894887 366670113 /nfs/dbraw/zinc/67/01/13/366670113.db2.gz YMCJLPPSJYZLDZ-IEBDPFPHSA-N 1 0 226.320 0.343 10 0 BCAERO Cc1ccoc1C(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000578859692 366659471 /nfs/dbraw/zinc/65/94/71/366659471.db2.gz HUDUMSWSRUCWAK-VHSXEESVSA-N 1 0 236.271 0.401 10 0 BCAERO C[C@H]1CCN(C(=O)C2CCOCC2)C[C@@H]1[NH3+] ZINC000069719286 360027527 /nfs/dbraw/zinc/02/75/27/360027527.db2.gz SRTIGUFQCAUMNQ-ONGXEEELSA-N 1 0 226.320 0.609 10 0 BCAERO O[C@H]1CCN(C[C@H](F)C(F)(F)F)C1 ZINC000306477053 360110636 /nfs/dbraw/zinc/11/06/36/360110636.db2.gz YVSBHIAQMQABMQ-WDSKDSINSA-N 1 0 201.163 0.953 10 0 BCAERO C[C@@H]([C@@H]([NH3+])C1=COCC1)S(C)(=O)=O ZINC000306474137 360111537 /nfs/dbraw/zinc/11/15/37/360111537.db2.gz FPEDOAHMVYJTAO-POYBYMJQSA-N 1 0 205.279 0.051 10 0 BCAERO CC[C@H]1C[NH2+]C[C@H]1N1CCS(=O)CC1 ZINC000161031656 360162179 /nfs/dbraw/zinc/16/21/79/360162179.db2.gz XWUNEDSXWGPNIV-VHSXEESVSA-N 1 0 216.350 0.049 10 0 BCAERO CCOCC(=O)N(C)C[C@H]1CCC[N@@H+]1CC ZINC000092677448 360189703 /nfs/dbraw/zinc/18/97/03/360189703.db2.gz VNRZNQKFOQJYSL-LLVKDONJSA-N 1 0 228.336 0.966 10 0 BCAERO CO[C@@]1(C)CC[N@@H+]([C@@H](C)C(N)=S)C1 ZINC000306488890 360190323 /nfs/dbraw/zinc/19/03/23/360190323.db2.gz VWTAJLBZDSLMEP-CBAPKCEASA-N 1 0 202.323 0.772 10 0 BCAERO [NH3+][C@H]1CCCN([C@H]2CCSC2)C1=O ZINC000231418955 360274695 /nfs/dbraw/zinc/27/46/95/360274695.db2.gz HXHINEOEFXDETF-YUMQZZPRSA-N 1 0 200.307 0.442 10 0 BCAERO NC(=O)c1ccc(NC[C@H]2CCC[NH2+]2)cc1 ZINC000053255095 181300418 /nfs/dbraw/zinc/30/04/18/181300418.db2.gz BGOKFMVEZJOGMY-LLVKDONJSA-N 1 0 219.288 0.949 10 0 BCAERO NC(=O)c1ccc(OC[C@@H]2CC[NH2+]C2)nc1 ZINC000051889036 181300612 /nfs/dbraw/zinc/30/06/12/181300612.db2.gz MLKXRCDQSZGULA-MRVPVSSYSA-N 1 0 221.260 0.169 10 0 BCAERO CS[C@@H]1CCCN(C(=O)[C@H]2CC[NH2+]2)C1 ZINC000306517424 360344720 /nfs/dbraw/zinc/34/47/20/360344720.db2.gz FVQSCAGRAABRDK-RKDXNWHRSA-N 1 0 214.334 0.702 10 0 BCAERO C[C@H]1[C@H]([NH3+])CCCN1Cc1cnns1 ZINC000306524328 360368810 /nfs/dbraw/zinc/36/88/10/360368810.db2.gz ADTUPTCEFUQZCU-IONNQARKSA-N 1 0 212.322 0.850 10 0 BCAERO CN(c1cc(N)ns1)[C@@H]1CC[N@H+](C)C1 ZINC000306525110 360370848 /nfs/dbraw/zinc/37/08/48/360370848.db2.gz AEKCZGYPQGNIPL-SSDOTTSWSA-N 1 0 212.322 0.866 10 0 BCAERO C[C@@]1(N[S@](=O)C2CCCC2)CC[NH2+]C1 ZINC000306534229 360393346 /nfs/dbraw/zinc/39/33/46/360393346.db2.gz DMYGJPLOLHGULT-QMTHXVAHSA-N 1 0 216.350 0.934 10 0 BCAERO COC1CN([C@H]2C[NH2+]C[C@H]2SC)C1 ZINC000306533654 360394494 /nfs/dbraw/zinc/39/44/94/360394494.db2.gz NQKSXSOBVLBKSQ-DTWKUNHWSA-N 1 0 202.323 0.020 10 0 BCAERO CCN1CC[N@@H+](C(C)(C)CO)C[C@@H]1C ZINC000306560325 360436274 /nfs/dbraw/zinc/43/62/74/360436274.db2.gz RNUPVUPZUBCOAE-JTQLQIEISA-N 1 0 200.326 0.783 10 0 BCAERO CC[C@](C)(O)C[N@@H+]1CCN[C@H](C)[C@@H]1C ZINC000306560729 360437642 /nfs/dbraw/zinc/43/76/42/360437642.db2.gz MRRJMYFPPRSTCM-VWYCJHECSA-N 1 0 200.326 0.830 10 0 BCAERO NC(=O)CC1C[NH+]([C@@H]2CCCCC2=O)C1 ZINC000306537835 360402906 /nfs/dbraw/zinc/40/29/06/360402906.db2.gz JBKSETQNLUMRFO-SECBINFHSA-N 1 0 210.277 0.305 10 0 BCAERO C[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C)c1ncc[nH]1 ZINC000309423148 491149074 /nfs/dbraw/zinc/14/90/74/491149074.db2.gz KAIXZPSJHRRNCP-XHNCKOQMSA-N 1 0 222.292 0.727 10 0 BCAERO NC(=O)c1ccc(OC[C@@H]2CCC[NH2+]2)nc1 ZINC000051866170 181301095 /nfs/dbraw/zinc/30/10/95/181301095.db2.gz CHJQIHZLKVCYAA-VIFPVBQESA-N 1 0 221.260 0.311 10 0 BCAERO COc1cc([C@@H](O)C(C)(C)[NH3+])sn1 ZINC000306545770 360414198 /nfs/dbraw/zinc/41/41/98/360414198.db2.gz WALVAGXHMKVABW-SSDOTTSWSA-N 1 0 202.279 0.922 10 0 BCAERO CS(=O)(=O)[C@@H]1CCC[C@H](C2C[NH2+]C2)C1 ZINC000306547271 360416352 /nfs/dbraw/zinc/41/63/52/360416352.db2.gz XDJWELZXDRRUHW-WCBMZHEXSA-N 1 0 217.334 0.809 10 0 BCAERO CC(C)[C@H]([NH3+])C(=O)N1CCSC[C@@H]1C ZINC000069761765 360421158 /nfs/dbraw/zinc/42/11/58/360421158.db2.gz CCKLFSHWBITYRC-IUCAKERBSA-N 1 0 216.350 0.934 10 0 BCAERO C[C@H](NC(=S)NN)C1CC[NH+](C)CC1 ZINC000306583229 360482089 /nfs/dbraw/zinc/48/20/89/360482089.db2.gz PNWYBPFHKUBKHS-ZETCQYMHSA-N 1 0 216.354 0.055 10 0 BCAERO C[C@@H]1CCN(CC[S@@](C)=O)C[C@@H]1[NH3+] ZINC000306590212 360493193 /nfs/dbraw/zinc/49/31/93/360493193.db2.gz UXQXQTMVBVNAMP-VYUIOLGVSA-N 1 0 204.339 0.034 10 0 BCAERO C[C@H]1C[C@@H](NC(=O)C2([NH3+])CCC2)CS1 ZINC000306590233 360493309 /nfs/dbraw/zinc/49/33/09/360493309.db2.gz UYUYEBPQQBIVRT-JGVFFNPUSA-N 1 0 214.334 0.878 10 0 BCAERO C[C@@H](C[NH3+])C(=O)N[C@H]1CS[C@H](C)C1 ZINC000306590616 360496427 /nfs/dbraw/zinc/49/64/27/360496427.db2.gz VCKGLNBYMPPGFV-XLPZGREQSA-N 1 0 202.323 0.591 10 0 BCAERO C[C@@H](C(=O)NC1(C)C[NH2+]C1)C(C)(F)F ZINC000306578532 360467788 /nfs/dbraw/zinc/46/77/88/360467788.db2.gz MHDPWWPRXOYUTM-LURJTMIESA-N 1 0 206.236 0.756 10 0 BCAERO CC1(NC(=O)[C@@H]2CCSC2)C[NH2+]C1 ZINC000306578765 360468670 /nfs/dbraw/zinc/46/86/70/360468670.db2.gz MMURWBDGPZTXFT-SSDOTTSWSA-N 1 0 200.307 0.218 10 0 BCAERO CCn1nncc1C(=O)[C@H]1CCC[C@@H]1[NH3+] ZINC000300820173 360523094 /nfs/dbraw/zinc/52/30/94/360523094.db2.gz GXCFCTSCWMTKBA-YUMQZZPRSA-N 1 0 208.265 0.608 10 0 BCAERO Cn1ncc(Cl)c1[C@H](O)C1C[NH2+]C1 ZINC000306600725 360527518 /nfs/dbraw/zinc/52/75/18/360527518.db2.gz UFBRJBOYVNGOLD-MRVPVSSYSA-N 1 0 201.657 0.326 10 0 BCAERO Cc1nc(C)c(CN2C[C@H]([NH3+])C2=O)s1 ZINC000306595744 360517316 /nfs/dbraw/zinc/51/73/16/360517316.db2.gz YCOUVMQWKIZUDV-ZETCQYMHSA-N 1 0 211.290 0.429 10 0 BCAERO C[C@H](C[NH2+][C@@H](C)CO)NC(=O)OC(C)(C)C ZINC000306597010 360518130 /nfs/dbraw/zinc/51/81/30/360518130.db2.gz ZGFJHWZUPHIOBN-BDAKNGLRSA-N 1 0 232.324 0.870 10 0 BCAERO C[C@@H]1CSCCN(C(=O)CC[NH3+])C1 ZINC000306597744 360519586 /nfs/dbraw/zinc/51/95/86/360519586.db2.gz OUGWYZXSHWUBOQ-QMMMGPOBSA-N 1 0 202.323 0.547 10 0 BCAERO CC(C)(C)OC(=O)N1C[C@@]2(F)C[NH2+]C[C@H]12 ZINC000238132069 360604711 /nfs/dbraw/zinc/60/47/11/360604711.db2.gz VKMFDCQRAVUVDT-XVKPBYJWSA-N 1 0 216.256 0.917 10 0 BCAERO CC(C)(C)OC(=O)N1C[C@@]2(F)C[NH2+]C[C@@H]12 ZINC000238132044 360604720 /nfs/dbraw/zinc/60/47/20/360604720.db2.gz VKMFDCQRAVUVDT-XCBNKYQSSA-N 1 0 216.256 0.917 10 0 BCAERO NC(=O)c1cccc(N[C@H]2CCC[NH2+]C2)c1 ZINC000043324617 181304625 /nfs/dbraw/zinc/30/46/25/181304625.db2.gz WTWPFMBVANHYGN-NSHDSACASA-N 1 0 219.288 0.949 10 0 BCAERO NC(=O)c1ccnc(OC[C@@H]2CC[NH2+]C2)c1 ZINC000051889040 181307367 /nfs/dbraw/zinc/30/73/67/181307367.db2.gz JBPAGAPTDVYEGG-MRVPVSSYSA-N 1 0 221.260 0.169 10 0 BCAERO NC(=O)c1ccnc(OCC[C@H]2CCC[NH2+]C2)c1 ZINC000051918618 181307644 /nfs/dbraw/zinc/30/76/44/181307644.db2.gz ARTBKFPGVLWHHT-SNVBAGLBSA-N 1 0 249.314 0.949 10 0 BCAERO Cc1n[nH]cc1[C@@H](C)[NH2+][C@@H]1CCCNC1=O ZINC000309575369 491151913 /nfs/dbraw/zinc/15/19/13/491151913.db2.gz OTPPIWXQPDTDBL-GMSGAONNSA-N 1 0 222.292 0.647 10 0 BCAERO COc1ccc([C@H](O)C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000169676072 360856687 /nfs/dbraw/zinc/85/66/87/360856687.db2.gz GELSQVGWXKGRHL-DGCLKSJQSA-N 1 0 237.299 0.795 10 0 BCAERO COCCC[NH2+][C@@H]1CCN(C(C)=O)C[C@H]1C ZINC000309623833 491153021 /nfs/dbraw/zinc/15/30/21/491153021.db2.gz FWYZFSXKPWSEFZ-ZYHUDNBSSA-N 1 0 228.336 0.869 10 0 BCAERO CC(C)(O)C[NH2+][C@@H]1CCC[C@@]1(C)CO ZINC000379582996 361107443 /nfs/dbraw/zinc/10/74/43/361107443.db2.gz MRDYBKNPZNJTGL-KOLCDFICSA-N 1 0 201.310 0.898 10 0 BCAERO [NH3+]C1(C(=O)N2CCN3CCCC[C@H]3C2)CCC1 ZINC000147917115 181323743 /nfs/dbraw/zinc/32/37/43/181323743.db2.gz CLEJJSWYEMLGPX-NSHDSACASA-N 1 0 237.347 0.565 10 0 BCAERO [NH3+]C[C@@H]1CCCN1CCOC1CCOCC1 ZINC000629514576 361112704 /nfs/dbraw/zinc/11/27/04/361112704.db2.gz LOOKWMBBVQNVAX-NSHDSACASA-N 1 0 228.336 0.605 10 0 BCAERO [NH3+]C1(C(=O)N2CC[C@@H](O)C2)CCCCC1 ZINC000061712353 181324879 /nfs/dbraw/zinc/32/48/79/181324879.db2.gz TZOOCIOYKLFKGT-SECBINFHSA-N 1 0 212.293 0.241 10 0 BCAERO CC(C)(O)C[N@@H+]1C[C@H](CO)OC(C)(C)C1 ZINC000158712184 361209642 /nfs/dbraw/zinc/20/96/42/361209642.db2.gz MODVTEMSTHNPES-SECBINFHSA-N 1 0 217.309 0.229 10 0 BCAERO CC(C)(C[NH3+])N1CCC2(C1)OCCO2 ZINC000306624383 361285179 /nfs/dbraw/zinc/28/51/79/361285179.db2.gz XMHICJXRTJVTQA-UHFFFAOYSA-N 1 0 200.282 0.173 10 0 BCAERO [NH3+]C1(C(=O)N[C@@H]2CCCNC2=O)CCCCC1 ZINC000050397775 181328170 /nfs/dbraw/zinc/32/81/70/181328170.db2.gz HVLLMPCFPIYVDT-SECBINFHSA-N 1 0 239.319 0.043 10 0 BCAERO [NH3+]C1(C(=O)NC[C@H](O)C(F)(F)F)CCCC1 ZINC000225390817 181328311 /nfs/dbraw/zinc/32/83/11/181328311.db2.gz NAXNPDJLHQCPFK-LURJTMIESA-N 1 0 240.225 0.297 10 0 BCAERO C[C@H]1C[NH2+]CCN1C(=O)[C@H]1CCSC1 ZINC000069986784 361322327 /nfs/dbraw/zinc/32/23/27/361322327.db2.gz FLHXGVUILVODRP-IUCAKERBSA-N 1 0 214.334 0.560 10 0 BCAERO O=C(N[C@@H]1CCC[NH2+]C1)[C@@H]1CCSC1 ZINC000069986968 361322424 /nfs/dbraw/zinc/32/24/24/361322424.db2.gz OZORNNODKSGZFV-RKDXNWHRSA-N 1 0 214.334 0.608 10 0 BCAERO [NH3+]C1(C(=O)OC[C@H]2CCOC2)CCCC1 ZINC000049688545 181330229 /nfs/dbraw/zinc/33/02/29/181330229.db2.gz QEJIKVODSSLNRG-VIFPVBQESA-N 1 0 213.277 0.838 10 0 BCAERO Cn1ccc(C[N@@H+]2CC[C@H](CCO)C2)n1 ZINC000163020845 361376025 /nfs/dbraw/zinc/37/60/25/361376025.db2.gz NFZJIVLOAVDRCF-SNVBAGLBSA-N 1 0 209.293 0.624 10 0 BCAERO C[C@@H]1CN(CCOC2CCOCC2)C[C@@H]1[NH3+] ZINC000629535236 361409497 /nfs/dbraw/zinc/40/94/97/361409497.db2.gz FMNBCQJANWBFKC-PWSUYJOCSA-N 1 0 228.336 0.461 10 0 BCAERO CC(C)n1ccnc1CN(C)CCOCC[NH3+] ZINC000629578590 361464194 /nfs/dbraw/zinc/46/41/94/361464194.db2.gz SQBSYWJWAVDVDC-UHFFFAOYSA-N 1 0 240.351 0.871 10 0 BCAERO C[C@@H](C(=O)[O-])[N@@H+]1C[C@@H](C[NH3+])CC[C@H]1C ZINC000070182140 361476101 /nfs/dbraw/zinc/47/61/01/361476101.db2.gz KXEMNWXLDFSKAY-HRDYMLBCSA-N 1 0 200.282 0.519 10 0 BCAERO [NH3+]Cc1cnc(Sc2nc[nH]n2)cn1 ZINC000070581637 361568806 /nfs/dbraw/zinc/56/88/06/361568806.db2.gz BZKQGEKFQKOACA-UHFFFAOYSA-N 1 0 208.250 0.205 10 0 BCAERO COCc1noc([C@@]2(C)C[C@H](OC)C[NH2+]2)n1 ZINC000629678192 361600956 /nfs/dbraw/zinc/60/09/56/361600956.db2.gz IOOUKMLZVUFSNG-OIBJUYFYSA-N 1 0 227.264 0.440 10 0 BCAERO C[C@H]([NH3+])[C@H](N1CC(C)(O)C1)C(F)(F)F ZINC000306639159 361590385 /nfs/dbraw/zinc/59/03/85/361590385.db2.gz CYCMHWKLTKFQAE-WDSKDSINSA-N 1 0 212.215 0.331 10 0 BCAERO [NH3+]C1CC(NC(=O)c2ccccc2O)C1 ZINC000036237267 181340347 /nfs/dbraw/zinc/34/03/47/181340347.db2.gz QUTNIFQFPDSXDE-UHFFFAOYSA-N 1 0 206.245 0.612 10 0 BCAERO [NH3+]C1CCC(C(=O)N2CCCC[C@@H]2CO)CC1 ZINC000037626350 181340368 /nfs/dbraw/zinc/34/03/68/181340368.db2.gz SDQMBUJWQDBFRB-HTAVTVPLSA-N 1 0 240.347 0.877 10 0 BCAERO [NH3+]C1CC(NC(=O)Cc2ccc(F)cc2)C1 ZINC000036256572 181340380 /nfs/dbraw/zinc/34/03/80/181340380.db2.gz ROYRMTBVYVVHCI-UHFFFAOYSA-N 1 0 222.263 0.974 10 0 BCAERO [NH3+]C1CCC(C(=O)NCc2cn[nH]c2)CC1 ZINC000038006679 181340406 /nfs/dbraw/zinc/34/04/06/181340406.db2.gz CPCRAKOVMWNDIZ-UHFFFAOYSA-N 1 0 222.292 0.543 10 0 BCAERO [NH3+]C1CCC(CC(=O)N2CCOCC2)CC1 ZINC000055091861 181341810 /nfs/dbraw/zinc/34/18/10/181341810.db2.gz YUBBWGPCMNJLNS-UHFFFAOYSA-N 1 0 226.320 0.753 10 0 BCAERO C[C@@]1(CN2CCS(=O)CC2)CCC[NH2+]1 ZINC000070619784 361643258 /nfs/dbraw/zinc/64/32/58/361643258.db2.gz HKAHFFSDXOPISH-JTQLQIEISA-N 1 0 216.350 0.193 10 0 BCAERO [NH3+]C1C[C@H]2CC[C@@H](C1)N2C(=O)C1CCOCC1 ZINC000040749497 181344307 /nfs/dbraw/zinc/34/43/07/181344307.db2.gz QLXWPFOWSLAGKS-YOGCLGLASA-N 1 0 238.331 0.894 10 0 BCAERO C[C@@H]1CC[C@@]([NH3+])(CCS(C)(=O)=O)C1 ZINC000070645440 361693623 /nfs/dbraw/zinc/69/36/23/361693623.db2.gz YSGXWUZXYFWZDD-RKDXNWHRSA-N 1 0 205.323 0.939 10 0 BCAERO C[C@H](O)[C@H]([NH3+])CNc1ccc(Cl)cn1 ZINC000070648121 361695329 /nfs/dbraw/zinc/69/53/29/361695329.db2.gz USIUHAMFUIKQDJ-POYBYMJQSA-N 1 0 215.684 0.855 10 0 BCAERO Cc1nc(SC[C@@H]2C[NH2+]CCO2)n[nH]1 ZINC000070649857 361695765 /nfs/dbraw/zinc/69/57/65/361695765.db2.gz IFVQSRSEWFSPIX-ZETCQYMHSA-N 1 0 214.294 0.194 10 0 BCAERO c1cc(SC[C@@H]2C[NH2+]CCO2)ncn1 ZINC000070649871 361696146 /nfs/dbraw/zinc/69/61/46/361696146.db2.gz BAUOVXJZGAYBTP-QMMMGPOBSA-N 1 0 211.290 0.557 10 0 BCAERO [NH3+]C1CN(c2cccc3snnc32)C1 ZINC000082378609 181344965 /nfs/dbraw/zinc/34/49/65/181344965.db2.gz CWIXZUICSXTFHV-UHFFFAOYSA-N 1 0 206.274 0.839 10 0 BCAERO NC(=S)[C@H]1CCC[N@@H+]1C[C@@H]1CCCO1 ZINC000070661986 361700797 /nfs/dbraw/zinc/70/07/97/361700797.db2.gz AYPOIBOOWQYHDM-DTWKUNHWSA-N 1 0 214.334 0.916 10 0 BCAERO NC(=S)[C@@H]1CCC[N@@H+]([C@@H]2CCOC2)C1 ZINC000070663651 361708044 /nfs/dbraw/zinc/70/80/44/361708044.db2.gz NYULFRJTIRHKOI-RKDXNWHRSA-N 1 0 214.334 0.773 10 0 BCAERO NC(=S)[C@H]1CCC[N@@H+]([C@@H]2CCOC2)C1 ZINC000070663650 361708070 /nfs/dbraw/zinc/70/80/70/361708070.db2.gz NYULFRJTIRHKOI-DTWKUNHWSA-N 1 0 214.334 0.773 10 0 BCAERO C[C@@H]1C[C@@H](C(=O)NC(C)(C)C[NH3+])CO1 ZINC000161781182 363878230 /nfs/dbraw/zinc/87/82/30/363878230.db2.gz WGDRANHAXBLLKY-HTQZYQBOSA-N 1 0 200.282 0.265 10 0 BCAERO C[C@H]([NH3+])CC(=O)N[C@H]1CCC[C@@H](O)C1 ZINC000224901623 363887306 /nfs/dbraw/zinc/88/73/06/363887306.db2.gz AFXBLAFLZXUNFW-XHNCKOQMSA-N 1 0 200.282 0.143 10 0 BCAERO C[C@@H]1COC[C@H](CC(=O)[C@H]2CCCO2)[NH2+]1 ZINC000307068716 541314961 /nfs/dbraw/zinc/31/49/61/541314961.db2.gz XKEFKJKEZLEENZ-WCABBAIRSA-N 1 0 213.277 0.502 10 0 BCAERO CCN(C)C(=O)N1C[C@H](OC)C[C@@]1(C)C[NH3+] ZINC000630368049 364085227 /nfs/dbraw/zinc/08/52/27/364085227.db2.gz PZPFRBPGWMWFHB-KOLCDFICSA-N 1 0 229.324 0.496 10 0 BCAERO COCCCCN1C[C@H](OC)C[C@]1(C)C[NH3+] ZINC000630357206 364078591 /nfs/dbraw/zinc/07/85/91/364078591.db2.gz CPHZRQBPORIQQC-VXGBXAGGSA-N 1 0 230.352 0.851 10 0 BCAERO CO[C@@H]1CN(Cc2cnn(C)c2)[C@@](C)(C[NH3+])C1 ZINC000630363967 364080823 /nfs/dbraw/zinc/08/08/23/364080823.db2.gz NXMDBGGMRAIATE-NWDGAFQWSA-N 1 0 238.335 0.358 10 0 BCAERO C[C@H](O)CN(C)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000725241527 541329999 /nfs/dbraw/zinc/32/99/99/541329999.db2.gz HPTCISWSJYBILP-SDDRHHMPSA-N 1 0 212.337 0.926 10 0 BCAERO CC[C@@]([NH3+])(CCCn1cccn1)C(N)=O ZINC000725256099 541332951 /nfs/dbraw/zinc/33/29/51/541332951.db2.gz SKVOTDXYHASGAN-SNVBAGLBSA-N 1 0 210.281 0.256 10 0 BCAERO CO[C@@H]1CN(CCOCC2CC2)[C@@](C)(C[NH3+])C1 ZINC000630364675 364083447 /nfs/dbraw/zinc/08/34/47/364083447.db2.gz QCTKOUTZWVDGIA-QWHCGFSZSA-N 1 0 242.363 0.851 10 0 BCAERO CO[C@@H]1CN(CCOC(C)C)[C@](C)(C[NH3+])C1 ZINC000630364790 364083518 /nfs/dbraw/zinc/08/35/18/364083518.db2.gz VXVRSFXBMWYDFF-RYUDHWBXSA-N 1 0 230.352 0.850 10 0 BCAERO CO[C@@H]1CN(C(=O)c2ccco2)[C@](C)(C[NH3+])C1 ZINC000630364820 364083650 /nfs/dbraw/zinc/08/36/50/364083650.db2.gz WEEWFWRLYRHGGY-CABZTGNLSA-N 1 0 238.287 0.858 10 0 BCAERO CO[C@@H]1CN(C(=O)C2CC(C)C2)[C@](C)(C[NH3+])C1 ZINC000630370876 364087009 /nfs/dbraw/zinc/08/70/09/364087009.db2.gz HPFUTHDYSMUOQY-GVAFYICXSA-N 1 0 240.347 0.997 10 0 BCAERO CO[C@@H]1CN(C[C@H]2CCCCO2)[C@](C)(C[NH3+])C1 ZINC000630370318 364087228 /nfs/dbraw/zinc/08/72/28/364087228.db2.gz YZBZNRBQBINOSO-AGIUHOORSA-N 1 0 242.363 0.994 10 0 BCAERO COCCCC(=O)N1C[C@@H](OC)C[C@@]1(C)C[NH3+] ZINC000630371232 364087663 /nfs/dbraw/zinc/08/76/63/364087663.db2.gz RCDGGLHHRWSXGU-JQWIXIFHSA-N 1 0 244.335 0.378 10 0 BCAERO CO[C@@H]1CN(C[C@H]2CCCCO2)[C@@](C)(C[NH3+])C1 ZINC000630370320 364088074 /nfs/dbraw/zinc/08/80/74/364088074.db2.gz YZBZNRBQBINOSO-FRRDWIJNSA-N 1 0 242.363 0.994 10 0 BCAERO CO[C@@H]1CN(C(=O)[C@H]2CC23CC3)[C@@](C)(C[NH3+])C1 ZINC000630376901 364091308 /nfs/dbraw/zinc/09/13/08/364091308.db2.gz HDQSIKQTUDAKEZ-HOSYDEDBSA-N 1 0 238.331 0.751 10 0 BCAERO COc1cc(N2C[C@@H](C[NH3+])[C@H](C)C2)ncn1 ZINC000630386870 364101135 /nfs/dbraw/zinc/10/11/35/364101135.db2.gz ASWRBZMRVXYKNE-RKDXNWHRSA-N 1 0 222.292 0.516 10 0 BCAERO COc1ccnc(N2C[C@H](C)[C@H](C[NH3+])C2)n1 ZINC000630387444 364101793 /nfs/dbraw/zinc/10/17/93/364101793.db2.gz PHTAYPPRQMEUDC-DTWKUNHWSA-N 1 0 222.292 0.516 10 0 BCAERO COCCC(=O)N[C@@H]1CCOC12CC[NH2+]CC2 ZINC000725268990 541338480 /nfs/dbraw/zinc/33/84/80/541338480.db2.gz ANGMPVBMMFAZLB-SNVBAGLBSA-N 1 0 242.319 0.050 10 0 BCAERO CCCC[N@H+](CCO)[C@@H]1CCOC[C@@H]1O ZINC000725273029 541340367 /nfs/dbraw/zinc/34/03/67/541340367.db2.gz POXCOXPZZADNOG-MNOVXSKESA-N 1 0 217.309 0.231 10 0 BCAERO C[C@@H]1C[NH2+]CC2(CCN(C(=O)C3CC3)CC2)O1 ZINC000725271255 541339719 /nfs/dbraw/zinc/33/97/19/541339719.db2.gz ATPXDBHJPJOLHQ-SNVBAGLBSA-N 1 0 238.331 0.766 10 0 BCAERO [NH3+]CC1(C(=O)N2CCC(O)CC2)CCC1 ZINC000087670249 181356821 /nfs/dbraw/zinc/35/68/21/181356821.db2.gz NKVIEGHTHDEJGF-UHFFFAOYSA-N 1 0 212.293 0.099 10 0 BCAERO [NH3+]CC1(CN2CCS(=O)(=O)CC2)CCCC1 ZINC000051217944 181359130 /nfs/dbraw/zinc/35/91/30/181359130.db2.gz RLRGSPKTQLCMQI-UHFFFAOYSA-N 1 0 246.376 0.236 10 0 BCAERO CCCOc1nccnc1N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000630514435 364200840 /nfs/dbraw/zinc/20/08/40/364200840.db2.gz ZDYZDSFKCQFCTF-PHIMTYICSA-N 1 0 248.330 0.921 10 0 BCAERO COc1ccnc(C(=O)N2CC[C@H]([NH+](C)C)C2)c1 ZINC000116190110 370744210 /nfs/dbraw/zinc/74/42/10/370744210.db2.gz POXHFNMTOMSAJO-JTQLQIEISA-N 1 0 249.314 0.866 10 0 BCAERO COc1cc(NCC2([NH3+])CCOCC2)ncn1 ZINC000630524546 364210613 /nfs/dbraw/zinc/21/06/13/364210613.db2.gz QXEPEHGEIKQXLD-UHFFFAOYSA-N 1 0 238.291 0.405 10 0 BCAERO C[NH2+]CCOCCNc1ncccc1OC ZINC000630527464 364214449 /nfs/dbraw/zinc/21/44/49/364214449.db2.gz MAZFTEUOKNINQQ-UHFFFAOYSA-N 1 0 225.292 0.738 10 0 BCAERO C[NH2+]CCOCCNc1ncccc1F ZINC000630529677 364217561 /nfs/dbraw/zinc/21/75/61/364217561.db2.gz CCVLAEGNJGPTLQ-UHFFFAOYSA-N 1 0 213.256 0.869 10 0 BCAERO CCN1CCO[C@H](C[NH2+][C@@H](C)[C@@H]2CCCO2)C1 ZINC000092052133 541344804 /nfs/dbraw/zinc/34/48/04/541344804.db2.gz POSFNPFONUEWAD-XQQFMLRXSA-N 1 0 242.363 0.864 10 0 BCAERO COc1cc(N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)ncn1 ZINC000630539500 364234266 /nfs/dbraw/zinc/23/42/66/364234266.db2.gz FJSVOVTZHSMOFT-BETUJISGSA-N 1 0 248.330 0.921 10 0 BCAERO Cn1ccnc(N2CCCCC[C@H]([NH3+])C2)c1=O ZINC000630550841 364243673 /nfs/dbraw/zinc/24/36/73/364243673.db2.gz VPDIDFMLXBEELJ-JTQLQIEISA-N 1 0 236.319 0.488 10 0 BCAERO [NH3+][C@H]1CCCCCN(c2ccc3nncn3n2)C1 ZINC000630550875 364245325 /nfs/dbraw/zinc/24/53/25/364245325.db2.gz WGHFRSUEXYJBMK-JTQLQIEISA-N 1 0 246.318 0.832 10 0 BCAERO Cc1nccnc1N1C[C@H](C)[C@H](C[NH3+])C1 ZINC000630553104 364247950 /nfs/dbraw/zinc/24/79/50/364247950.db2.gz IEQIJWSDRPSROE-WCBMZHEXSA-N 1 0 206.293 0.816 10 0 BCAERO Cc1nnc(N2C[C@H](C)[C@@H](C[NH3+])C2)nc1C ZINC000630554935 364253361 /nfs/dbraw/zinc/25/33/61/364253361.db2.gz WCHXZVQHNHVIHQ-XVKPBYJWSA-N 1 0 221.308 0.519 10 0 BCAERO [NH3+]CC1(C(=O)N[C@@H]2CCCOC2)CCCC1 ZINC000071013920 181359234 /nfs/dbraw/zinc/35/92/34/181359234.db2.gz DHCFZNCGYCSBQT-SNVBAGLBSA-N 1 0 226.320 0.801 10 0 BCAERO [NH3+]CC1(C(=O)Nc2nncs2)CCC1 ZINC000098168235 181359459 /nfs/dbraw/zinc/35/94/59/181359459.db2.gz PQYARSGVSBEDDM-UHFFFAOYSA-N 1 0 212.278 0.606 10 0 BCAERO C[C@H]1C[C@@H]([NH3+])CN1c1cn[nH]c(=O)c1Cl ZINC000630557187 364258936 /nfs/dbraw/zinc/25/89/36/364258936.db2.gz HYMZZPSKGMFYKM-NTSWFWBYSA-N 1 0 228.683 0.762 10 0 BCAERO [NH3+]CC1(CN2CCS(=O)CC2)CCCC1 ZINC000051252241 181359607 /nfs/dbraw/zinc/35/96/07/181359607.db2.gz IBNARCMDYZFEQE-UHFFFAOYSA-N 1 0 230.377 0.570 10 0 BCAERO CCOc1cc(N2C[C@@H](C[NH3+])[C@H](C)C2)ncn1 ZINC000630573529 364269997 /nfs/dbraw/zinc/26/99/97/364269997.db2.gz UQLGTOBRGOGPAX-NXEZZACHSA-N 1 0 236.319 0.906 10 0 BCAERO Cc1cc(N[C@@H]2CC[C@@H](C)[NH2+]C2)n2ncnc2n1 ZINC000630534692 364228776 /nfs/dbraw/zinc/22/87/76/364228776.db2.gz OLOUTUFXIIKJPI-PSASIEDQSA-N 1 0 246.318 0.985 10 0 BCAERO C[C@@H]1CC[C@@H](Nc2ncnc3nc[nH]c32)C[NH2+]1 ZINC000630535329 364229772 /nfs/dbraw/zinc/22/97/72/364229772.db2.gz TYPJZIKKFFPXQF-HTQZYQBOSA-N 1 0 232.291 0.905 10 0 BCAERO COC(=O)CCC[NH2+][C@@H]1CCO[C@@H]1C ZINC000134386475 364401030 /nfs/dbraw/zinc/40/10/30/364401030.db2.gz MCEQDMODVGZHNV-RKDXNWHRSA-N 1 0 201.266 0.707 10 0 BCAERO [NH3+]CC1(c2nc3cc[nH]cc-3n2)CCOCC1 ZINC000083076755 181363405 /nfs/dbraw/zinc/36/34/05/181363405.db2.gz MLBZCLSGCXKGGH-UHFFFAOYSA-N 1 0 232.287 0.965 10 0 BCAERO [NH3+]CC1CCN(Cc2ncccn2)CC1 ZINC000054460272 181364748 /nfs/dbraw/zinc/36/47/48/181364748.db2.gz SWRWJYDKRIAGRW-UHFFFAOYSA-N 1 0 206.293 0.647 10 0 BCAERO CSCCC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170860812 364533551 /nfs/dbraw/zinc/53/35/51/364533551.db2.gz XPCRHNZDWMWVJI-SECBINFHSA-N 1 0 216.350 0.902 10 0 BCAERO CCO[C@@H](C)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170866263 364545567 /nfs/dbraw/zinc/54/55/67/364545567.db2.gz DFCJWZDQMIGFLC-UWVGGRQHSA-N 1 0 214.309 0.574 10 0 BCAERO [NH3+]CCC(=O)N1CCN(c2nccs2)CC1 ZINC000019439808 181366387 /nfs/dbraw/zinc/36/63/87/181366387.db2.gz OCUDGTBROUQIKF-UHFFFAOYSA-N 1 0 240.332 0.141 10 0 BCAERO [NH3+]CCC(=O)NC[C@@H](O)c1ccc(Cl)s1 ZINC000237861905 181367783 /nfs/dbraw/zinc/36/77/83/181367783.db2.gz UBDIAIYZLUXXCG-ZCFIWIBFSA-N 1 0 248.735 0.900 10 0 BCAERO [NH3+]CCC(=O)N1CCN(Cc2ccccn2)CC1 ZINC000037802773 181367030 /nfs/dbraw/zinc/36/70/30/181367030.db2.gz IKOXCPIACVSLKZ-UHFFFAOYSA-N 1 0 248.330 0.075 10 0 BCAERO CC[C@H](C(N)=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000246995646 364615213 /nfs/dbraw/zinc/61/52/13/364615213.db2.gz BGTNMOUEPSNYCE-VHSXEESVSA-N 1 0 211.309 0.030 10 0 BCAERO NC(=O)c1ccc(Cl)c(NC(=O)CC[NH3+])c1 ZINC000037014112 181368998 /nfs/dbraw/zinc/36/89/98/181368998.db2.gz IHLBVJRPRJFJSF-UHFFFAOYSA-N 1 0 241.678 0.726 10 0 BCAERO COC(=O)[C@@H](C)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000248342055 364629588 /nfs/dbraw/zinc/62/95/88/364629588.db2.gz JHJUIXHMWJHVRS-MNOVXSKESA-N 1 0 226.320 0.718 10 0 BCAERO [NH3+]CCC(=O)c1ccc2c(c1)OCCO2 ZINC000036158159 181369711 /nfs/dbraw/zinc/36/97/11/181369711.db2.gz RDCKMTFMTZSWDU-UHFFFAOYSA-N 1 0 207.229 0.989 10 0 BCAERO [NH3+]CCCC(=O)N[C@@H]1CCCC[C@@H]1O ZINC000052009510 181372556 /nfs/dbraw/zinc/37/25/56/181372556.db2.gz NPYZTORQDCURJG-BDAKNGLRSA-N 1 0 200.282 0.145 10 0 BCAERO [NH3+]CCCC(=O)Nc1ccc(-n2cncn2)cc1 ZINC000037764816 181372965 /nfs/dbraw/zinc/37/29/65/181372965.db2.gz QHXFCSLOUCMEFA-UHFFFAOYSA-N 1 0 245.286 0.945 10 0 BCAERO [NH3+]CCCCCCSC[C@H](O)CO ZINC000169315751 181375471 /nfs/dbraw/zinc/37/54/71/181375471.db2.gz WCSWGNMZYOWYJZ-SECBINFHSA-N 1 0 207.339 0.592 10 0 BCAERO [NH3+]CCCCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000054135626 181376252 /nfs/dbraw/zinc/37/62/52/181376252.db2.gz URFIVNCPDRNDSZ-AOOOYVTPSA-N 1 0 224.304 0.901 10 0 BCAERO [NH3+]CCCCN1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000105221571 181376716 /nfs/dbraw/zinc/37/67/16/181376716.db2.gz URFIVNCPDRNDSZ-UWVGGRQHSA-N 1 0 224.304 0.901 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)NC1C[C@H](C)O[C@@H](C)C1 ZINC000573971270 364957948 /nfs/dbraw/zinc/95/79/48/364957948.db2.gz RPYDZFIZHHIJGD-FYLLDIAZSA-N 1 0 240.347 0.914 10 0 BCAERO CC1(C(=O)N[C@@]2(CO)CCC[NH2+]C2)CC1 ZINC000669385110 541438506 /nfs/dbraw/zinc/43/85/06/541438506.db2.gz YQNPHJFIPDWFQZ-NSHDSACASA-N 1 0 212.293 0.017 10 0 BCAERO O=C(CC1CC1)N[C@@]1(CO)CCC[NH2+]C1 ZINC000669384990 541438517 /nfs/dbraw/zinc/43/85/17/541438517.db2.gz RKUMURAIKGZRIX-NSHDSACASA-N 1 0 212.293 0.017 10 0 BCAERO CCS(=O)(=O)[C@H]1CCC[C@@H]([NH2+]C)C1 ZINC000082818529 541435088 /nfs/dbraw/zinc/43/50/88/541435088.db2.gz UJYNFQLJVPRVQQ-BDAKNGLRSA-N 1 0 205.323 0.952 10 0 BCAERO [NH3+]CCN1CCC(O)(c2ccccc2)CC1 ZINC000034517586 181391859 /nfs/dbraw/zinc/39/18/59/181391859.db2.gz RVRCVAKZCDNBIT-UHFFFAOYSA-N 1 0 220.316 0.929 10 0 BCAERO [NH3+]CCCN1CCN(c2nccs2)CC1 ZINC000019428415 181380644 /nfs/dbraw/zinc/38/06/44/181380644.db2.gz DKUOICUXDFJXNX-UHFFFAOYSA-N 1 0 226.349 0.614 10 0 BCAERO [NH3+]CCCn1nnnc1-c1ccccc1 ZINC000042199254 181390174 /nfs/dbraw/zinc/39/01/74/181390174.db2.gz LTRQYHAMSABZDK-UHFFFAOYSA-N 1 0 203.249 0.689 10 0 BCAERO [NH3+]CCCn1nnnc1-c1cccnc1 ZINC000042199304 181390326 /nfs/dbraw/zinc/39/03/26/181390326.db2.gz XGJZBUSPHGVVOK-UHFFFAOYSA-N 1 0 204.237 0.084 10 0 BCAERO [NH3+]CCCn1nnnc1-c1ccncc1 ZINC000042199302 181390927 /nfs/dbraw/zinc/39/09/27/181390927.db2.gz MIMMFBYEOYMQMS-UHFFFAOYSA-N 1 0 204.237 0.084 10 0 BCAERO [NH3+]CCNC(=O)c1ccc(Cl)cc1O ZINC000019505659 181395638 /nfs/dbraw/zinc/39/56/38/181395638.db2.gz BCTQZXVZASRTRQ-UHFFFAOYSA-N 1 0 214.652 0.734 10 0 BCAERO NC(=O)c1ccc(OCCOCC[NH3+])cc1 ZINC000057834809 181399129 /nfs/dbraw/zinc/39/91/29/181399129.db2.gz JPMKMAKADQIKSV-UHFFFAOYSA-N 1 0 224.260 0.140 10 0 BCAERO [NH3+]CCOCCS(=O)(=O)c1ccc(F)cc1 ZINC000057536147 181399539 /nfs/dbraw/zinc/39/95/39/181399539.db2.gz RYLQIOSGXDLRCN-UHFFFAOYSA-N 1 0 247.291 0.575 10 0 BCAERO [NH3+]CCS(=O)(=O)N1CCC[C@@H]2CCCC[C@H]21 ZINC000036826921 181399951 /nfs/dbraw/zinc/39/99/51/181399951.db2.gz PPJHEUUWIIZIAB-WDEREUQCSA-N 1 0 246.376 0.930 10 0 BCAERO [NH3+]CCc1nnc(CCc2ccco2)o1 ZINC000011585803 181414362 /nfs/dbraw/zinc/41/43/62/181414362.db2.gz MRUGVLFGZWMAJI-UHFFFAOYSA-N 1 0 207.233 0.949 10 0 BCAERO [NH3+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCOC1 ZINC000044540741 181427900 /nfs/dbraw/zinc/42/79/00/181427900.db2.gz LVFDYCUDJUTCJB-ZJUUUORDSA-N 1 0 212.293 0.363 10 0 BCAERO CCn1ncnc1CN1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000379848029 365316903 /nfs/dbraw/zinc/31/69/03/365316903.db2.gz DESKLBZSPIDOGD-HBNTYKKESA-N 1 0 235.335 0.467 10 0 BCAERO Cc1cnn(CCNC(=O)C[NH2+]C2CC2)c1 ZINC000182223455 366876249 /nfs/dbraw/zinc/87/62/49/366876249.db2.gz ZGMCUGHGLUYXNX-UHFFFAOYSA-N 1 0 222.292 0.060 10 0 BCAERO CC1(C)S[C@@H]2[C@H]([NH3+])C(=O)N2[C@@H]1C(F)(F)F ZINC000675060657 541464179 /nfs/dbraw/zinc/46/41/79/541464179.db2.gz KOZOQGVBNUAMAT-PUFIMZNGSA-N 1 0 240.250 0.938 10 0 BCAERO COc1ccc2[nH]c(=O)c(C[NH3+])cc2c1 ZINC000011980104 541481666 /nfs/dbraw/zinc/48/16/66/541481666.db2.gz UPAQGORGIJHMJT-UHFFFAOYSA-N 1 0 204.229 0.995 10 0 BCAERO CCCNC(=O)NCCN1CCC([NH3+])CC1 ZINC000322270660 541496154 /nfs/dbraw/zinc/49/61/54/541496154.db2.gz VSVMEDGSDDCQQP-UHFFFAOYSA-N 1 0 228.340 0.119 10 0 BCAERO CC(C)[C@@H]1CCNc2nc(CC[NH3+])nn21 ZINC000232691890 541504327 /nfs/dbraw/zinc/50/43/27/541504327.db2.gz LFIOGZXACFVOHO-QMMMGPOBSA-N 1 0 209.297 0.792 10 0 BCAERO CCn1cc([C@H]2CCNC3=[NH+]CCN32)cn1 ZINC000234242233 541512269 /nfs/dbraw/zinc/51/22/69/541512269.db2.gz LAQPASNCQQUXCO-SNVBAGLBSA-N 1 0 219.292 0.609 10 0 BCAERO CC[N@H+](C)C[C@H](O)CN1[C@H](C)COC[C@@H]1C ZINC000579910656 367073676 /nfs/dbraw/zinc/07/36/76/367073676.db2.gz PLPOBUBFALKGBU-TUAOUCFPSA-N 1 0 230.352 0.408 10 0 BCAERO CCOc1nccnc1N1CC[C@H]([NH3+])[C@@H]1C ZINC000580823868 367176547 /nfs/dbraw/zinc/17/65/47/367176547.db2.gz DXCCLXHVDBOLTJ-IUCAKERBSA-N 1 0 222.292 0.801 10 0 BCAERO [NH3+][C@@H]1CCN(OCc2ccccc2)C1=O ZINC000027859371 370824231 /nfs/dbraw/zinc/82/42/31/370824231.db2.gz YZGUOBZPQDVTDL-SNVBAGLBSA-N 1 0 206.245 0.678 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCO[C@H](C)[C@@H]1C ZINC000380504493 367224973 /nfs/dbraw/zinc/22/49/73/367224973.db2.gz HXDIOSNOVAMSJM-LMLFDSFASA-N 1 0 226.320 0.478 10 0 BCAERO CC(C)c1nnc(CN2CC[NH+](C)CC2)n1C ZINC000195006544 367332259 /nfs/dbraw/zinc/33/22/59/367332259.db2.gz PDJQBZNXVAIGBR-UHFFFAOYSA-N 1 0 237.351 0.686 10 0 BCAERO CC(C)n1nccc1C[NH2+][C@@H]1C[C@H]1CO ZINC000382059935 367482426 /nfs/dbraw/zinc/48/24/26/367482426.db2.gz CDMBMDZUVFTVND-GXSJLCMTSA-N 1 0 209.293 0.934 10 0 BCAERO C[C@@H]([NH3+])CCNC(=O)c1csc(CN)n1 ZINC000381746363 367453976 /nfs/dbraw/zinc/45/39/76/367453976.db2.gz QBBILPSIWIUZOB-ZCFIWIBFSA-N 1 0 228.321 0.069 10 0 BCAERO [NH3+]C[C@@H]1CC[C@@H](Nc2ccc3nccnc3n2)C1 ZINC000382474844 367529341 /nfs/dbraw/zinc/52/93/41/367529341.db2.gz SBODRTBHKDPZCF-NXEZZACHSA-N 1 0 243.314 0.938 10 0 BCAERO COC(=O)CCCNC(=O)[C@@H]1CCC[NH2+][C@H]1C ZINC000384480154 367692930 /nfs/dbraw/zinc/69/29/30/367692930.db2.gz POEBIDSBPLQHJL-VHSXEESVSA-N 1 0 242.319 0.444 10 0 BCAERO Cc1nnc2c(N(C)C3CC([NH3+])C3)nccn12 ZINC000384792034 367732449 /nfs/dbraw/zinc/73/24/49/367732449.db2.gz VRSVAVMHYSJBED-UHFFFAOYSA-N 1 0 232.291 0.359 10 0 BCAERO [NH3+]C[C@@H]1CCCN1C(=O)[C@@H]1CSCCS1 ZINC000237955678 181430779 /nfs/dbraw/zinc/43/07/79/181430779.db2.gz UFIHIACZUXGSNG-IUCAKERBSA-N 1 0 246.401 0.785 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)[C@@H]1CCCO1 ZINC000061882811 181432811 /nfs/dbraw/zinc/43/28/11/181432811.db2.gz LKPIJOGNVKPXHW-AEJSXWLSSA-N 1 0 212.293 0.409 10 0 BCAERO CC(C)CNC(=O)C[N@@H+]1CCC[C@H](O)[C@@H]1C ZINC000384955368 367764481 /nfs/dbraw/zinc/76/44/81/367764481.db2.gz GRTQRELLWIAZQO-QWRGUYRKSA-N 1 0 228.336 0.604 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)[C@@H]1CCCOC1 ZINC000062192544 181433462 /nfs/dbraw/zinc/43/34/62/181433462.db2.gz NGRWERVGLRRXBV-HBNTYKKESA-N 1 0 226.320 0.657 10 0 BCAERO CC(C)OC[C@H](O)C[N@@H+]1CCC[C@H](O)[C@@H]1C ZINC000384974734 367768544 /nfs/dbraw/zinc/76/85/44/367768544.db2.gz ITNRQRMQIPEHPW-TUAOUCFPSA-N 1 0 231.336 0.618 10 0 BCAERO C[C@H](O)CCC[N@@H+]1CCC[C@H](O)[C@H]1C ZINC000384977262 367768821 /nfs/dbraw/zinc/76/88/21/367768821.db2.gz YSPRTKOLLKKXQN-AXFHLTTASA-N 1 0 201.310 0.993 10 0 BCAERO CCOc1nccnc1N1C[C@H]([NH3+])[C@@H](C)C1 ZINC000581874897 367864760 /nfs/dbraw/zinc/86/47/60/367864760.db2.gz OJTWFLDIZKUVGM-IUCAKERBSA-N 1 0 222.292 0.659 10 0 BCAERO CN1CCN(c2ncccc2F)[C@H](C[NH3+])C1 ZINC000087613836 367916149 /nfs/dbraw/zinc/91/61/49/367916149.db2.gz CBZYDDANQDULOA-SECBINFHSA-N 1 0 224.283 0.300 10 0 BCAERO C[C@H](O)CCN[C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000386179591 367925455 /nfs/dbraw/zinc/92/54/55/367925455.db2.gz XXEOGSLNVWVZLA-GARJFASQSA-N 1 0 200.326 0.878 10 0 BCAERO Cc1cnc(N2CC[NH2+]C[C@H]2C)nc1C ZINC000386577982 367995164 /nfs/dbraw/zinc/99/51/64/367995164.db2.gz SRKGGZAOGOWLNN-SECBINFHSA-N 1 0 206.293 0.892 10 0 BCAERO CCN(CC)C(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000087638887 367944776 /nfs/dbraw/zinc/94/47/76/367944776.db2.gz FPGVACLZIWYDIQ-UHFFFAOYSA-N 1 0 227.352 0.539 10 0 BCAERO Cc1nsc(N2CCOC[C@@H]2C[NH3+])n1 ZINC000161385241 368141260 /nfs/dbraw/zinc/14/12/60/368141260.db2.gz QPVPNZWXCFYVAM-ZETCQYMHSA-N 1 0 214.294 0.010 10 0 BCAERO C[C@H]([NH3+])C(=O)N[C@@H]1CCCCC[C@H]1O ZINC000130757086 368141845 /nfs/dbraw/zinc/14/18/45/368141845.db2.gz PRQXTCIOSGDSNL-DJLDLDEBSA-N 1 0 200.282 0.143 10 0 BCAERO COC[C@H]1C[NH2+]C[C@H](COc2ccccc2)N1 ZINC000038387045 368326731 /nfs/dbraw/zinc/32/67/31/368326731.db2.gz KSGMRFACZMEHTJ-VXGBXAGGSA-N 1 0 236.315 0.642 10 0 BCAERO CC(C)(C)OC(=O)CN1CCCC[C@@H]([NH3+])C1=O ZINC000059140648 368380114 /nfs/dbraw/zinc/38/01/14/368380114.db2.gz MLOSYSBYXDSKHT-SECBINFHSA-N 1 0 242.319 0.668 10 0 BCAERO C[C@@H]1CCN(S(=O)(=O)CC[NH3+])C[C@H]1C ZINC000253081614 368473950 /nfs/dbraw/zinc/47/39/50/368473950.db2.gz WLBAFKGGFFUZDF-RKDXNWHRSA-N 1 0 220.338 0.253 10 0 BCAERO C[C@@H]([C@@]1([NH3+])[C@@H]2CCC[C@@H]21)S(C)(=O)=O ZINC000253167235 368581762 /nfs/dbraw/zinc/58/17/62/368581762.db2.gz WAGBTJAYDYDQSN-MAUMQABQSA-N 1 0 203.307 0.547 10 0 BCAERO O=C(c1nc[nH]n1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000110987014 368845452 /nfs/dbraw/zinc/84/54/52/368845452.db2.gz HOZUTVCMEOUDKY-JTQLQIEISA-N 1 0 249.318 0.409 10 0 BCAERO CC[NH2+][C@@H]1CN(C(=O)OC)CCC1=O ZINC000584880520 368858060 /nfs/dbraw/zinc/85/80/60/368858060.db2.gz FHLXPJKEHQLPGL-SSDOTTSWSA-N 1 0 200.238 0.006 10 0 BCAERO Cc1cc(CNC(=O)[C@H]2CC[C@H]([NH3+])C2)no1 ZINC000085012374 368861710 /nfs/dbraw/zinc/86/17/10/368861710.db2.gz SUHYFBDSJUZJCM-IUCAKERBSA-N 1 0 223.276 0.727 10 0 BCAERO Cc1cc(CNC(=O)[C@H]2CC[C@@H]([NH3+])C2)no1 ZINC000085012381 368862096 /nfs/dbraw/zinc/86/20/96/368862096.db2.gz SUHYFBDSJUZJCM-DTWKUNHWSA-N 1 0 223.276 0.727 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)NC(C)(C)C[NH3+])O1 ZINC000088142098 368905719 /nfs/dbraw/zinc/90/57/19/368905719.db2.gz CPQYWASICRHFQE-HTQZYQBOSA-N 1 0 200.282 0.407 10 0 BCAERO [NH3+][C@H]1CC[C@H](C(=O)NCCc2ccncc2)C1 ZINC000091548167 369013962 /nfs/dbraw/zinc/01/39/62/369013962.db2.gz YNXVGHAZNHQRGM-RYUDHWBXSA-N 1 0 233.315 0.868 10 0 BCAERO Cc1ccncc1C[NH2+][C@H]1CCOC[C@@H]1O ZINC000623766661 369030284 /nfs/dbraw/zinc/03/02/84/369030284.db2.gz JWQMBQLPGKGVOH-RYUDHWBXSA-N 1 0 222.288 0.629 10 0 BCAERO NC(=O)N1C[C@H](CC[NH3+])Nc2ccccc21 ZINC000616692929 369115964 /nfs/dbraw/zinc/11/59/64/369115964.db2.gz XFNIDEQSLQBZDZ-QMMMGPOBSA-N 1 0 220.276 0.715 10 0 BCAERO [NH3+]C[C@@H](C1CCC1)[C@H]1CCS(=O)(=O)C1 ZINC000161492545 369122517 /nfs/dbraw/zinc/12/25/17/369122517.db2.gz OQDKCWYFPKLUKN-UWVGGRQHSA-N 1 0 217.334 0.796 10 0 BCAERO [NH3+]C[C@H]1CCCCN1Cc1ncccn1 ZINC000054460265 181458009 /nfs/dbraw/zinc/45/80/09/181458009.db2.gz UYZXPXHLNLBKOR-SNVBAGLBSA-N 1 0 206.293 0.790 10 0 BCAERO [NH3+]CCN1CCCO[C@H](n2cccn2)C1 ZINC000616677974 369109969 /nfs/dbraw/zinc/10/99/69/369109969.db2.gz ALMGQJYMDSOJCU-JTQLQIEISA-N 1 0 210.281 0.063 10 0 BCAERO [NH3+]C[C@H]1CCCN1C(=O)[C@H](O)c1ccccc1 ZINC000131563316 181461367 /nfs/dbraw/zinc/46/13/67/181461367.db2.gz DJWJECJKCFDMDF-VXGBXAGGSA-N 1 0 234.299 0.670 10 0 BCAERO COc1cccc(C[NH2+][C@H]2CCOC[C@@H]2O)n1 ZINC000623767571 369397883 /nfs/dbraw/zinc/39/78/83/369397883.db2.gz YAWBOQHLCSMBJB-QWRGUYRKSA-N 1 0 238.287 0.330 10 0 BCAERO O[C@@H]1COCC[C@@H]1[NH2+]Cc1cncs1 ZINC000623767656 369401486 /nfs/dbraw/zinc/40/14/86/369401486.db2.gz ZNMMXVWFLOLSCN-DTWKUNHWSA-N 1 0 214.290 0.383 10 0 BCAERO CC1(C)C[C@@H]1C(=O)N1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC000404037815 369417398 /nfs/dbraw/zinc/41/73/98/369417398.db2.gz ZHBNNDUPNVRRDK-VWYCJHECSA-N 1 0 238.331 0.622 10 0 BCAERO COCCCC[N@@H+]1CC[C@@H]2OCCN[C@@H]2C1 ZINC000404179468 369422289 /nfs/dbraw/zinc/42/22/89/369422289.db2.gz BNNJRQQLRYGIAC-NEPJUHHUSA-N 1 0 228.336 0.476 10 0 BCAERO Cc1cc(CN2CC[C@H]3OCC[NH2+][C@@H]3C2)no1 ZINC000404201954 369422676 /nfs/dbraw/zinc/42/26/76/369422676.db2.gz QCKFUDPQIDGHJD-VXGBXAGGSA-N 1 0 237.303 0.546 10 0 BCAERO CCOCCN1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC000404229357 369424061 /nfs/dbraw/zinc/42/40/61/369424061.db2.gz PGOKVLRVCDQMBH-MNOVXSKESA-N 1 0 214.309 0.086 10 0 BCAERO CCOC(=O)[C@H](C)N1CC[C@H]2OCC[NH2+][C@H]2C1 ZINC000404244409 369424324 /nfs/dbraw/zinc/42/43/24/369424324.db2.gz ZGONAJYNBDAQSB-GARJFASQSA-N 1 0 242.319 0.001 10 0 BCAERO [NH3+]Cc1ccc(OC[C@H]2CNC(=O)O2)cc1 ZINC000037698910 181486116 /nfs/dbraw/zinc/48/61/16/181486116.db2.gz YBHQJQYBOFAJLW-SNVBAGLBSA-N 1 0 222.244 0.633 10 0 BCAERO NC(=O)c1ccc(Cn2cc(C[NH3+])cn2)c(F)c1 ZINC000063169638 181493911 /nfs/dbraw/zinc/49/39/11/181493911.db2.gz NZACOSZHYRBWIO-UHFFFAOYSA-N 1 0 248.261 0.628 10 0 BCAERO C[C@H]1CN(Cc2cnc(N)s2)C[C@H]1[NH3+] ZINC000307308019 369999186 /nfs/dbraw/zinc/99/91/86/369999186.db2.gz ZTHHTIFWNWJSRE-POYBYMJQSA-N 1 0 212.322 0.504 10 0 BCAERO C[NH2+]Cc1c(Br)nnn1C ZINC000215240209 370170801 /nfs/dbraw/zinc/17/08/01/370170801.db2.gz PITBOFIWQVHZFT-UHFFFAOYSA-N 1 0 205.059 0.297 10 0 BCAERO OC[C@@H]1C[C@H]1[NH2+]Cc1cc(C(F)(F)F)n[nH]1 ZINC000309554114 370227448 /nfs/dbraw/zinc/22/74/48/370227448.db2.gz GYLPJHJXOPMVAT-CAHLUQPWSA-N 1 0 235.209 0.899 10 0 BCAERO CO[C@H]1C[NH2+][C@@H](C(=O)Nc2cc(C)ccn2)C1 ZINC000309850292 370268807 /nfs/dbraw/zinc/26/88/07/370268807.db2.gz YDCMIXCQNYAXSA-NXEZZACHSA-N 1 0 235.287 0.705 10 0 BCAERO Cc1nccnc1C[NH2+][C@H]1CCC(=O)N[C@H]1C ZINC000621351120 370287486 /nfs/dbraw/zinc/28/74/86/370287486.db2.gz FYFBBOOSZLLECN-UWVGGRQHSA-N 1 0 234.303 0.542 10 0 BCAERO CCNc1nc(Cl)nc(NN(C)C)[nH+]1 ZINC000215267278 370384661 /nfs/dbraw/zinc/38/46/61/370384661.db2.gz OUJUFDLCVYZWBB-UHFFFAOYSA-N 1 0 216.676 0.845 10 0 BCAERO CC[N@@H+]1CCC[C@H](NS(=O)(=O)CC)C1 ZINC000064950210 370387743 /nfs/dbraw/zinc/38/77/43/370387743.db2.gz LBMSNZNLTXRRTD-VIFPVBQESA-N 1 0 220.338 0.410 10 0 BCAERO COC[C@H]([NH3+])C(=O)NCC[C@@H]1CC1(F)F ZINC000621671593 370422929 /nfs/dbraw/zinc/42/29/29/370422929.db2.gz YJDXRRRERHACMW-RQJHMYQMSA-N 1 0 222.235 0.122 10 0 BCAERO Cc1nccnc1C[N@@H+]1C[C@H](C)C[C@@H](O)C1 ZINC000621730890 370484861 /nfs/dbraw/zinc/48/48/61/370484861.db2.gz XYPCRLZFQKFPGD-MWLCHTKSSA-N 1 0 221.304 0.988 10 0 BCAERO Cc1nccnc1C[N@@H+]1C[C@@H](C)C[C@H](O)C1 ZINC000621730891 370484882 /nfs/dbraw/zinc/48/48/82/370484882.db2.gz XYPCRLZFQKFPGD-ONGXEEELSA-N 1 0 221.304 0.988 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)N2CCCO[C@H](C[NH3+])C2)O1 ZINC000313359835 370581386 /nfs/dbraw/zinc/58/13/86/370581386.db2.gz WABANEZROCBHAI-GMTAPVOTSA-N 1 0 242.319 0.130 10 0 BCAERO CC[N@H+](C)[C@H]1CCC[C@@]([NH3+])(C(=O)[O-])C1 ZINC000225515788 370999021 /nfs/dbraw/zinc/99/90/21/370999021.db2.gz UQRBKNVBQOZBRD-WPRPVWTQSA-N 1 0 200.282 0.663 10 0 BCAERO OC[C@@H]1C[C@H]1[NH2+]Cc1cnn(CC(F)F)c1 ZINC000378664389 371012504 /nfs/dbraw/zinc/01/25/04/371012504.db2.gz FBWDGKFVWNJFBT-DTWKUNHWSA-N 1 0 231.246 0.619 10 0 BCAERO CCc1cnc(C[NH2+][C@H]2CCOC[C@@H]2O)s1 ZINC000623767505 371086589 /nfs/dbraw/zinc/08/65/89/371086589.db2.gz XIDKIHIZUAAQIL-UWVGGRQHSA-N 1 0 242.344 0.945 10 0 BCAERO O=C(NC[C@@H]1CCn2ccnc2C1)c1ccon1 ZINC000328619094 371131586 /nfs/dbraw/zinc/13/15/86/371131586.db2.gz FKFDQQDNUWWUAM-SECBINFHSA-N 1 0 246.270 0.864 10 0 BCAERO [NH3+][C@@H]1CCCC[C@H]1N1CCS(=O)CC1 ZINC000049692321 181574943 /nfs/dbraw/zinc/57/49/43/181574943.db2.gz ZOBAXUTZBHJWIM-NXEZZACHSA-N 1 0 216.350 0.321 10 0 BCAERO [NH3+][C@H](Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000043299844 181626912 /nfs/dbraw/zinc/62/69/12/181626912.db2.gz YNTCWQINMWMZMU-NWDGAFQWSA-N 1 0 239.340 0.991 10 0 BCAERO [NH3+][C@H]1C[C@@H]1CN1c2ccccc2CC1=O ZINC000211937330 181657768 /nfs/dbraw/zinc/65/77/68/181657768.db2.gz XJFTVWQDVGGYCL-ZJUUUORDSA-N 1 0 202.257 0.923 10 0 BCAERO [NH3+][C@H]1c2ccccc2OC[C@@H]1N1CCOCC1 ZINC000019403309 181661801 /nfs/dbraw/zinc/66/18/01/181661801.db2.gz FMOMTQGCXKCLCO-AAEUAGOBSA-N 1 0 234.299 0.780 10 0 BCAERO CCCCN(CC[NH3+])CC(=O)N[C@H](C)COC ZINC000104306966 168810941 /nfs/dbraw/zinc/81/09/41/168810941.db2.gz SISXCTHBFZDCHK-LLVKDONJSA-N 1 0 245.367 0.198 10 0 BCAERO CCc1nnc(CN2C[C@H]3C[NH2+]C[C@H]3C2)n1C ZINC000624190691 371378066 /nfs/dbraw/zinc/37/80/66/371378066.db2.gz SPYNWBVUGORMMJ-AOOOYVTPSA-N 1 0 235.335 0.029 10 0 BCAERO O[C@H]1COCC[C@@H]1[NH2+]C1Cc2ccccc2C1 ZINC000624235308 371422494 /nfs/dbraw/zinc/42/24/94/371422494.db2.gz IFAILAFEXRCLPM-KBPBESRZSA-N 1 0 233.311 0.893 10 0 BCAERO Cc1nn(C)cc1[C@H](C)[NH2+][C@H]1CCOC[C@@H]1O ZINC000624236983 371424800 /nfs/dbraw/zinc/42/48/00/371424800.db2.gz NNENUCUTXKLHOJ-UWJYBYFXSA-N 1 0 239.319 0.529 10 0 BCAERO C[C@H]([NH2+][C@H]1CCOC[C@@H]1O)c1ccncc1 ZINC000624237404 371424871 /nfs/dbraw/zinc/42/48/71/371424871.db2.gz WRNFSKMLYTVGMO-DLOVCJGASA-N 1 0 222.288 0.882 10 0 BCAERO Nc1cc[nH+]c(N[C@@H]2CCS(=O)(=O)C2)c1 ZINC000043568365 181763935 /nfs/dbraw/zinc/76/39/35/181763935.db2.gz LSZFGRWQNIMDKW-MRVPVSSYSA-N 1 0 227.289 0.263 10 0 BCAERO OC[C@@H](c1cscn1)N1CC[NH2+]CC1 ZINC000126752990 371549250 /nfs/dbraw/zinc/54/92/50/371549250.db2.gz OTKLOFNTRZKRJK-VIFPVBQESA-N 1 0 213.306 0.082 10 0 BCAERO CCN1C(=O)C[C@@H]([NH3+])[C@@H]1c1nccs1 ZINC000161697989 371552729 /nfs/dbraw/zinc/55/27/29/371552729.db2.gz OZCNMHLRESYLPF-HTRCEHHLSA-N 1 0 211.290 0.764 10 0 BCAERO CC(C)SCC(=O)NC[C@@H]1CC[NH2+]C1 ZINC000215461020 371554905 /nfs/dbraw/zinc/55/49/05/371554905.db2.gz APTGOJBNHXWVTK-SECBINFHSA-N 1 0 216.350 0.854 10 0 BCAERO CS(=O)(=O)[C@@H]1CCC[C@@H]([C@@H](F)C[NH3+])C1 ZINC000225674968 371565451 /nfs/dbraw/zinc/56/54/51/371565451.db2.gz NNCYETDRVMLJRK-HLTSFMKQSA-N 1 0 223.313 0.887 10 0 BCAERO C[NH2+]C[C@H](O)C(F)(F)Br ZINC000225681345 371566244 /nfs/dbraw/zinc/56/62/44/371566244.db2.gz YCPUQWBAWLEYKH-VKHMYHEASA-N 1 0 204.014 0.554 10 0 BCAERO C[NH2+]C[C@@](C)(O)C(F)(F)Br ZINC000225682338 371566311 /nfs/dbraw/zinc/56/63/11/371566311.db2.gz YRODKGSMMQNFQD-SCSAIBSYSA-N 1 0 218.041 0.945 10 0 BCAERO Cc1nsc(NC(=O)C2(C[NH3+])CC2)n1 ZINC000131791626 371674610 /nfs/dbraw/zinc/67/46/10/371674610.db2.gz MAZXUZRCPDXFEZ-UHFFFAOYSA-N 1 0 212.278 0.524 10 0 BCAERO C[C@H](O)C[NH+]1CCC(C)(C(N)=S)CC1 ZINC000226324785 371646479 /nfs/dbraw/zinc/64/64/79/371646479.db2.gz YWRIFKYIEGPTLT-QMMMGPOBSA-N 1 0 216.350 0.755 10 0 BCAERO C[C@H](C[NH3+])c1c(Br)nnn1C ZINC000216016539 371679730 /nfs/dbraw/zinc/67/97/30/371679730.db2.gz ZJYLDSQFAWSIND-SCSAIBSYSA-N 1 0 219.086 0.640 10 0 BCAERO Cn1cc(CC(=O)[C@H]2CC[C@H]([NH3+])C2)cn1 ZINC000226603048 371704855 /nfs/dbraw/zinc/70/48/55/371704855.db2.gz GOKKXQZBFAYGJB-UWVGGRQHSA-N 1 0 207.277 0.659 10 0 BCAERO [NH3+][C@H]1COC[C@@H]1C(=O)Cc1ccccn1 ZINC000226614017 371706089 /nfs/dbraw/zinc/70/60/89/371706089.db2.gz VLDJRLDEXVJGHJ-UWVGGRQHSA-N 1 0 206.245 0.167 10 0 BCAERO Nc1ncc2ncn(C3CC[NH2+]CC3)c2n1 ZINC000090602268 181799183 /nfs/dbraw/zinc/79/91/83/181799183.db2.gz VRDMOHZBDAHJRY-UHFFFAOYSA-N 1 0 218.264 0.333 10 0 BCAERO C[NH2+][C@@H]1CCCN(S(C)(=O)=O)CC1 ZINC000216219074 371721976 /nfs/dbraw/zinc/72/19/76/371721976.db2.gz WFZMWPZOKZESCH-MRVPVSSYSA-N 1 0 206.311 0.020 10 0 BCAERO C[C@H]1[NH2+]CC[C@@H]1C(=O)Cc1ccn(C)n1 ZINC000226685872 371723159 /nfs/dbraw/zinc/72/31/59/371723159.db2.gz WNJGLTDVVILRQF-SCZZXKLOSA-N 1 0 207.277 0.530 10 0 BCAERO CC(C)[C@H]([NH3+])CN1CCCCS1(=O)=O ZINC000162650261 371736541 /nfs/dbraw/zinc/73/65/41/371736541.db2.gz GPIIKDAHDKGAIR-SECBINFHSA-N 1 0 220.338 0.395 10 0 BCAERO C[NH2+][C@@H]1CC[C@H](C)C[C@@H]1S(C)(=O)=O ZINC000226803290 371747466 /nfs/dbraw/zinc/74/74/66/371747466.db2.gz ALKXFSGBFXNYPM-YIZRAAEISA-N 1 0 205.323 0.808 10 0 BCAERO C[C@]([NH3+])(C(=O)N[C@@H]1CCSC1)C1CC1 ZINC000227210064 371800578 /nfs/dbraw/zinc/80/05/78/371800578.db2.gz FXURFAMONLSDDM-PSASIEDQSA-N 1 0 214.334 0.736 10 0 BCAERO C[C@@H]1CCC[N@H+](C[C@@](C)(N)C(N)=O)CC1 ZINC000216834504 371822134 /nfs/dbraw/zinc/82/21/34/371822134.db2.gz WTLHGETXRBFSKN-MWLCHTKSSA-N 1 0 213.325 0.311 10 0 BCAERO C[C@@H](C[NH3+])N[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000227585118 371899953 /nfs/dbraw/zinc/89/99/53/371899953.db2.gz RYKBUFAFXWVOBT-UWVGGRQHSA-N 1 0 243.351 0.933 10 0 BCAERO C[C@@H]1CSC(NCC(C)(C)C(N)=O)=[NH+]1 ZINC000230404016 371905071 /nfs/dbraw/zinc/90/50/71/371905071.db2.gz CULOUEUMMPWXCL-ZCFIWIBFSA-N 1 0 215.322 0.579 10 0 BCAERO Cc1csc([C@H](C)N2C[C@@H]([NH3+])C2=O)n1 ZINC000227626467 371906928 /nfs/dbraw/zinc/90/69/28/371906928.db2.gz HOGAPAOSZXQUSD-NKWVEPMBSA-N 1 0 211.290 0.682 10 0 BCAERO O=c1c(Br)cccn1CC1C[NH2+]C1 ZINC000306378455 372015474 /nfs/dbraw/zinc/01/54/74/372015474.db2.gz GUAKQRJVDBWRFO-UHFFFAOYSA-N 1 0 243.104 0.830 10 0 BCAERO CO[C@@H]1[C@@H]([NH3+])C[C@@H]1OC1CCOCC1 ZINC000133292005 372018853 /nfs/dbraw/zinc/01/88/53/372018853.db2.gz MNPSJHRRCNWQTI-LPEHRKFASA-N 1 0 201.266 0.297 10 0 BCAERO CN(CCC1CC[NH2+]CC1)C(=O)c1cn[nH]n1 ZINC000217883482 372024089 /nfs/dbraw/zinc/02/40/89/372024089.db2.gz MYSMJFNTXXWNTP-UHFFFAOYSA-N 1 0 237.307 0.266 10 0 BCAERO [NH3+][C@@H]1COC[C@H]1Nc1ncc(Cl)cn1 ZINC000306504219 372029404 /nfs/dbraw/zinc/02/94/04/372029404.db2.gz YKPVBTZETVIDAH-RNFRBKRXSA-N 1 0 214.656 0.268 10 0 BCAERO COc1ncc([C@H](O)[C@@H]2CCC[NH2+]2)s1 ZINC000306551510 372034248 /nfs/dbraw/zinc/03/42/48/372034248.db2.gz FRUYYMJTZSMGSR-POYBYMJQSA-N 1 0 214.290 0.937 10 0 BCAERO [NH3+]C[C@@H]1CN(C2CSC2)CCCO1 ZINC000306562252 372037538 /nfs/dbraw/zinc/03/75/38/372037538.db2.gz CFJFVKMVXHJION-SECBINFHSA-N 1 0 202.323 0.151 10 0 BCAERO C[C@@](O)(c1cnc(N)s1)[C@@H]1CC[NH2+]C1 ZINC000306587266 372040772 /nfs/dbraw/zinc/04/07/72/372040772.db2.gz UQVOSLOPYOSVSM-MUWHJKNJSA-N 1 0 213.306 0.542 10 0 BCAERO C[C@@H]1CSCCN(C(=O)/C=C/C[NH3+])C1 ZINC000306599564 372042944 /nfs/dbraw/zinc/04/29/44/372042944.db2.gz RQZGWDZRZLDPME-HPOULIHZSA-N 1 0 214.334 0.713 10 0 BCAERO O[C@H]1COC[C@@H]1NCc1ncc(Cl)s1 ZINC000306638446 372049286 /nfs/dbraw/zinc/04/92/86/372049286.db2.gz BXQGGKCHFWEARW-WDSKDSINSA-N 1 0 234.708 0.646 10 0 BCAERO C[NH2+][C@]1(CC(=O)[O-])CC[N@@H+]2CCCC[C@H]21 ZINC000228275184 372010327 /nfs/dbraw/zinc/01/03/27/372010327.db2.gz FWXGUUSRIOFMMN-ONGXEEELSA-N 1 0 212.293 0.678 10 0 BCAERO C[NH2+][C@@]1(CC(=O)[O-])CC[N@@H+]2CCCC[C@H]21 ZINC000228275172 372011170 /nfs/dbraw/zinc/01/11/70/372011170.db2.gz FWXGUUSRIOFMMN-GXSJLCMTSA-N 1 0 212.293 0.678 10 0 BCAERO [NH3+]C[C@H]1CN(C/C(Cl)=C\Cl)CCO1 ZINC000229012099 372106273 /nfs/dbraw/zinc/10/62/73/372106273.db2.gz ORZLPMWUDKWTAG-DKCNVOGISA-N 1 0 225.119 0.965 10 0 BCAERO C[C@H](C[S@](C)=O)NC1=[NH+]CCCS1 ZINC000229020164 372107767 /nfs/dbraw/zinc/10/77/67/372107767.db2.gz UAXAWLOSUHKYFQ-UHLUBPPHSA-N 1 0 220.363 0.836 10 0 BCAERO [NH3+][C@H](Cc1cncs1)[C@@H]1COCCO1 ZINC000133765782 372108251 /nfs/dbraw/zinc/10/82/51/372108251.db2.gz AKPKJCPMQUSTGF-BDAKNGLRSA-N 1 0 214.290 0.428 10 0 BCAERO CC(=O)NCCNC1=[NH+][C@@H](C)CCS1 ZINC000133504824 372065738 /nfs/dbraw/zinc/06/57/38/372065738.db2.gz DIMFTNZAYMPIPA-ZETCQYMHSA-N 1 0 215.322 0.594 10 0 BCAERO C[C@@H](CNc1cccc(N)[nH+]1)[S@@](C)=O ZINC000228674510 372067513 /nfs/dbraw/zinc/06/75/13/372067513.db2.gz ZWEQBWUMNTXEDF-JKYUHCHBSA-N 1 0 213.306 0.843 10 0 BCAERO NNc1[nH+]cnc(N2CCC2)c1Br ZINC000306871330 372073032 /nfs/dbraw/zinc/07/30/32/372073032.db2.gz XCGVPBZLWDFTJW-UHFFFAOYSA-N 1 0 244.096 0.735 10 0 BCAERO Cc1cnn(CC[NH2+]Cc2ccn(C)n2)c1 ZINC000163926021 372078676 /nfs/dbraw/zinc/07/86/76/372078676.db2.gz HIIFXDVYJMHRAH-UHFFFAOYSA-N 1 0 219.292 0.715 10 0 BCAERO C[C@@H](CC[NH3+])N1CCCC2(C1)OCCO2 ZINC000133713288 372089079 /nfs/dbraw/zinc/08/90/79/372089079.db2.gz ZXTKMJSIKJRYSW-JTQLQIEISA-N 1 0 214.309 0.563 10 0 BCAERO CC[C@H](C[NH3+])N1CCCC2(C1)OCCO2 ZINC000133719817 372094598 /nfs/dbraw/zinc/09/45/98/372094598.db2.gz KTEOWLOKSRKDIB-SNVBAGLBSA-N 1 0 214.309 0.563 10 0 BCAERO C[C@H](CC[NH3+])N1CCCC2(C1)OCCO2 ZINC000133713495 372094675 /nfs/dbraw/zinc/09/46/75/372094675.db2.gz ZXTKMJSIKJRYSW-SNVBAGLBSA-N 1 0 214.309 0.563 10 0 BCAERO [NH3+]C[C@@H]1COCCN1[C@H]1CCSC1 ZINC000405299744 372151127 /nfs/dbraw/zinc/15/11/27/372151127.db2.gz IUBQFJQTKWDWSR-DTWKUNHWSA-N 1 0 202.323 0.151 10 0 BCAERO CC(C)S(=O)(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000232677337 372152047 /nfs/dbraw/zinc/15/20/47/372152047.db2.gz CZCUMDCZUWOIMM-RKDXNWHRSA-N 1 0 220.338 0.455 10 0 BCAERO [NH3+][C@@H]1CN(CC2CCSCC2)C1=O ZINC000229463996 372154876 /nfs/dbraw/zinc/15/48/76/372154876.db2.gz NSUJNMIQMOBQJA-MRVPVSSYSA-N 1 0 200.307 0.299 10 0 BCAERO [NH3+][C@H]1CCN(C[C@@H]2CSCCS2)C1=O ZINC000229613834 372172916 /nfs/dbraw/zinc/17/29/16/372172916.db2.gz RVPZZHRNYOQUTR-SFYZADRCSA-N 1 0 232.374 0.395 10 0 BCAERO C([C@H]1CSCCS1)N1CC[NH2+]CC1 ZINC000229613497 372172976 /nfs/dbraw/zinc/17/29/76/372172976.db2.gz GDMQBTQYGGUFFD-VIFPVBQESA-N 1 0 218.391 0.740 10 0 BCAERO [NH3+][C@@H]1CN(C[C@@H]2CSCCS2)C1=O ZINC000229667045 372179123 /nfs/dbraw/zinc/17/91/23/372179123.db2.gz JKZLBHKXBNBNHR-RNFRBKRXSA-N 1 0 218.347 0.005 10 0 BCAERO Cc1nccnc1CN1CC[C@H]2OCC[NH2+][C@H]2C1 ZINC000631829203 372610884 /nfs/dbraw/zinc/61/08/84/372610884.db2.gz KCCOGTCMAVQREZ-QWHCGFSZSA-N 1 0 248.330 0.348 10 0 BCAERO Cc1noc(CN2C[C@H](C)[C@@H](C[NH3+])C2)n1 ZINC000631838030 372621312 /nfs/dbraw/zinc/62/13/12/372621312.db2.gz ILOVKZPSHLIZGA-CBAPKCEASA-N 1 0 210.281 0.405 10 0 BCAERO CCc1nnc(CN2C[C@@H](C[NH3+])[C@H](C)C2)n1C ZINC000631837371 372626450 /nfs/dbraw/zinc/62/64/50/372626450.db2.gz AWKQDJPWOLVZCL-NXEZZACHSA-N 1 0 237.351 0.404 10 0 BCAERO C[C@H]1CN(CC(=O)NCC2CC2)C[C@@H]1C[NH3+] ZINC000631837599 372629563 /nfs/dbraw/zinc/62/95/63/372629563.db2.gz DBNJILZRRVXBDG-ONGXEEELSA-N 1 0 225.336 0.039 10 0 BCAERO CCn1ncnc1CN1C[C@H](C)[C@H](C[NH3+])C1 ZINC000631838211 372631957 /nfs/dbraw/zinc/63/19/57/372631957.db2.gz KPCBRZUSIUCPSX-VHSXEESVSA-N 1 0 223.324 0.325 10 0 BCAERO CCn1ncnc1CN1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631838212 372632311 /nfs/dbraw/zinc/63/23/11/372632311.db2.gz KPCBRZUSIUCPSX-ZJUUUORDSA-N 1 0 223.324 0.325 10 0 BCAERO Cc1nc(CN2C[C@H](C)[C@@H](C[NH3+])C2)no1 ZINC000631838767 372633743 /nfs/dbraw/zinc/63/37/43/372633743.db2.gz UXSOIUYCCWHUMX-CBAPKCEASA-N 1 0 210.281 0.405 10 0 BCAERO CC(C)CNC(=O)[C@H](C)N1C[C@H](C)[C@H](C[NH3+])C1 ZINC000631840389 372636453 /nfs/dbraw/zinc/63/64/53/372636453.db2.gz BVACNBHYYYBLEB-SDDRHHMPSA-N 1 0 241.379 0.674 10 0 BCAERO C[C@@H]1CN(Cc2nc(C3CC3)no2)C[C@@H]1C[NH3+] ZINC000631842000 372640628 /nfs/dbraw/zinc/64/06/28/372640628.db2.gz SUQCOOWFYNYEPY-SCZZXKLOSA-N 1 0 236.319 0.974 10 0 BCAERO Cc1nccnc1CN1C[C@H]([NH3+])[C@@H](C)C1 ZINC000631827075 372606131 /nfs/dbraw/zinc/60/61/31/372606131.db2.gz DSGZFECYFDUHMP-WPRPVWTQSA-N 1 0 206.293 0.564 10 0 BCAERO O=C(CCn1cccn1)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040740441 181950587 /nfs/dbraw/zinc/95/05/87/181950587.db2.gz OZSJZFHGGLWWIR-FOSCPWQOSA-N 1 0 248.330 0.672 10 0 BCAERO O=C(CO[C@@H]1CCC[NH2+]C1)c1cnccn1 ZINC000095072825 182000043 /nfs/dbraw/zinc/00/00/43/182000043.db2.gz DJTJSUULDWQNKL-SECBINFHSA-N 1 0 221.260 0.428 10 0 BCAERO O=C(C[C@@H]1CCC[NH2+]C1)NCc1cn[nH]c1 ZINC000054308291 182019242 /nfs/dbraw/zinc/01/92/42/182019242.db2.gz SNBNEARBFWSHLZ-VIFPVBQESA-N 1 0 222.292 0.416 10 0 BCAERO O=C(C[C@H]1CCCC[NH2+]1)N1CCC[C@@H](O)C1 ZINC000042471067 182026825 /nfs/dbraw/zinc/02/68/25/182026825.db2.gz HRUIYJCWEDMEJG-GHMZBOCLSA-N 1 0 226.320 0.502 10 0 BCAERO O=C(C[C@H]1CCCC[NH2+]1)NC[C@H]1COCCO1 ZINC000038063074 182027554 /nfs/dbraw/zinc/02/75/54/182027554.db2.gz XYHVMOVBTOBOOL-MNOVXSKESA-N 1 0 242.319 0.050 10 0 BCAERO Cn1c2ccccc2cc(C[NH2+]CCO)c1=O ZINC000039287282 372930096 /nfs/dbraw/zinc/93/00/96/372930096.db2.gz KSCLQKXCZZHATM-UHFFFAOYSA-N 1 0 232.283 0.620 10 0 BCAERO O=C(C[C@H]1CCC[NH2+]C1)NCc1cc[nH]n1 ZINC000054308887 182028352 /nfs/dbraw/zinc/02/83/52/182028352.db2.gz WTXWFGONRDGPGW-SECBINFHSA-N 1 0 222.292 0.416 10 0 BCAERO O=C(C[C@H]1CCC[NH2+]1)N[C@H]1CCCOC1 ZINC000071023521 182028738 /nfs/dbraw/zinc/02/87/38/182028738.db2.gz SBTMYBSINVKSHY-ZJUUUORDSA-N 1 0 212.293 0.424 10 0 BCAERO O=C(C[C@H]1CCC[NH2+]1)NC[C@H]1CCOC1 ZINC000042168115 182028920 /nfs/dbraw/zinc/02/89/20/182028920.db2.gz SVATXPFHKWINFW-NXEZZACHSA-N 1 0 212.293 0.281 10 0 BCAERO O=C(C[C@H]1CSCCS1)N1CC[NH2+]CC1 ZINC000238099828 182030680 /nfs/dbraw/zinc/03/06/80/182030680.db2.gz UMKFHODILXNQHR-VIFPVBQESA-N 1 0 246.401 0.657 10 0 BCAERO O=C(Cc1ccccn1)NC[C@@H]1CCC[NH2+]C1 ZINC000044501621 182046685 /nfs/dbraw/zinc/04/66/85/182046685.db2.gz ZGALSHNXGCOJBC-LLVKDONJSA-N 1 0 233.315 0.740 10 0 BCAERO [NH2+]=C(N[C@@H]1CCCS(=O)(=O)C1)C1CC1 ZINC000068942160 373094009 /nfs/dbraw/zinc/09/40/09/373094009.db2.gz PGQMWYYNNRAWNE-MRVPVSSYSA-N 1 0 216.306 0.540 10 0 BCAERO O=C(Cn1cccn1)N1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000051358119 182068084 /nfs/dbraw/zinc/06/80/84/182068084.db2.gz SEIXPKSTUDGFHG-RYUDHWBXSA-N 1 0 248.330 0.626 10 0 BCAERO O=C([C@H]1CCCO1)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000632863475 373198572 /nfs/dbraw/zinc/19/85/72/373198572.db2.gz HNSHYYOKYOSCJD-SDDRHHMPSA-N 1 0 238.331 0.766 10 0 BCAERO O=C(NC1CCC(O)CC1)[C@H]1CCC[NH2+]C1 ZINC000019411589 182104386 /nfs/dbraw/zinc/10/43/86/182104386.db2.gz HQOOIVMTPSCRMS-WHXUTIOJSA-N 1 0 226.320 0.406 10 0 BCAERO O=S(=O)(N[C@H]1CCCC[NH2+]C1)C(F)F ZINC000069683808 373592564 /nfs/dbraw/zinc/59/25/64/373592564.db2.gz JNHOQBUBCWPAFZ-LURJTMIESA-N 1 0 228.264 0.271 10 0 BCAERO CO[C@@H]1C[NH2+][C@@H](C(=O)NC(C)(C)C)C1 ZINC000040629374 373567794 /nfs/dbraw/zinc/56/77/94/373567794.db2.gz ZGMSCYCTVJGHPT-JGVFFNPUSA-N 1 0 200.282 0.278 10 0 BCAERO C[C@@H]1CCN(C(=O)C(F)(F)F)C[C@H]1[NH3+] ZINC000069719328 373648358 /nfs/dbraw/zinc/64/83/58/373648358.db2.gz DOXMYCSKSHKPAP-PHDIDXHHSA-N 1 0 210.199 0.744 10 0 BCAERO O=C(NCCC1=CCCCC1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000035661266 182153300 /nfs/dbraw/zinc/15/33/00/182153300.db2.gz ZDJYQMRHLIWWGD-RYUDHWBXSA-N 1 0 238.331 0.716 10 0 BCAERO CC(C)C[C@H](CO)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000040777177 373700670 /nfs/dbraw/zinc/70/06/70/373700670.db2.gz XUVMWHQJWOGKEC-OLZOCXBDSA-N 1 0 244.379 0.440 10 0 BCAERO [NH3+]Cc1n[nH]c(=O)n1Cc1ccccc1 ZINC000040866123 373851781 /nfs/dbraw/zinc/85/17/81/373851781.db2.gz XCKBBFMVGHQSPZ-UHFFFAOYSA-N 1 0 204.233 0.491 10 0 BCAERO O=C(NCC[C@@H]1CCCO1)C1CC[NH2+]CC1 ZINC000038096842 182198911 /nfs/dbraw/zinc/19/89/11/182198911.db2.gz XYSZFOHODKBJNP-NSHDSACASA-N 1 0 226.320 0.671 10 0 BCAERO O=C(NCC[C@@H]1CCCC[NH2+]1)NC1CC1 ZINC000054457104 182198932 /nfs/dbraw/zinc/19/89/32/182198932.db2.gz HDAKOFVUARNZTC-VIFPVBQESA-N 1 0 211.309 0.980 10 0 BCAERO O=C(NCC[C@@H]1CCCC[NH2+]1)[C@H]1CCOC1 ZINC000040941913 182199296 /nfs/dbraw/zinc/19/92/96/182199296.db2.gz HODSQXBMPFLMQV-QWRGUYRKSA-N 1 0 226.320 0.671 10 0 BCAERO O=C(NCC[C@@H]1CCCC[NH2+]1)[C@@H]1CCOC1 ZINC000040941911 182199423 /nfs/dbraw/zinc/19/94/23/182199423.db2.gz HODSQXBMPFLMQV-MNOVXSKESA-N 1 0 226.320 0.671 10 0 BCAERO O=C(NCC[C@H]1CCCC[NH2+]1)[C@H]1CCOC1 ZINC000040941914 182200040 /nfs/dbraw/zinc/20/00/40/182200040.db2.gz HODSQXBMPFLMQV-WDEREUQCSA-N 1 0 226.320 0.671 10 0 BCAERO O=C(NCC[C@H]1CCCC[NH2+]1)[C@@H]1CCCO1 ZINC000019474786 182200543 /nfs/dbraw/zinc/20/05/43/182200543.db2.gz WWBNMJRZTUYERX-MNOVXSKESA-N 1 0 226.320 0.814 10 0 BCAERO O=C(NCC[C@H]1CCCO1)[C@H]1CCC[NH2+]1 ZINC000038096835 182201343 /nfs/dbraw/zinc/20/13/43/182201343.db2.gz ZUSYGOBTCIGILJ-NXEZZACHSA-N 1 0 212.293 0.424 10 0 BCAERO O=C(NC[C@@H](CO)c1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000182436924 182218723 /nfs/dbraw/zinc/21/87/23/182218723.db2.gz PIUWSKRQRGVXOK-STQMWFEESA-N 1 0 248.326 0.631 10 0 BCAERO O=C(NC[C@H](O)C(F)(F)F)[C@H]1CCCC[NH2+]1 ZINC000225389238 182231956 /nfs/dbraw/zinc/23/19/56/182231956.db2.gz VPKPYIXWBLTKCR-RQJHMYQMSA-N 1 0 240.225 0.168 10 0 BCAERO CC(C)[NH2+]Cc1cnc2c(C(N)=O)cnn2c1 ZINC000070168465 374124391 /nfs/dbraw/zinc/12/43/91/374124391.db2.gz KUUNRRILCRKJCH-UHFFFAOYSA-N 1 0 233.275 0.326 10 0 BCAERO O=C(NC[C@H]1CCOC1)[C@H]1CCC[NH2+]C1 ZINC000037739064 182244028 /nfs/dbraw/zinc/24/40/28/182244028.db2.gz LEGLZORVRYPNHW-ZJUUUORDSA-N 1 0 212.293 0.139 10 0 BCAERO C[C@@H]1C[C@@H]1NC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000246114597 374168119 /nfs/dbraw/zinc/16/81/19/374168119.db2.gz MKIVLDAUEGPRNW-BBBLOLIVSA-N 1 0 211.309 0.788 10 0 BCAERO CS(=O)(=O)CC[C@H]1CCC[C@H]([NH3+])C1 ZINC000070637080 374169827 /nfs/dbraw/zinc/16/98/27/374169827.db2.gz ROTDHXZHVKMAEK-BDAKNGLRSA-N 1 0 205.323 0.939 10 0 BCAERO O=C(NCc1cccc(O)c1)[C@H]1CCC[NH2+]1 ZINC000169813076 182254897 /nfs/dbraw/zinc/25/48/97/182254897.db2.gz GSAINHOXYRVUGQ-LLVKDONJSA-N 1 0 220.272 0.760 10 0 BCAERO O=C(NCc1ccccc1)OC1C[NH2+]C1 ZINC000232308586 182255830 /nfs/dbraw/zinc/25/58/30/182255830.db2.gz QUCCZFBZEBMPQS-UHFFFAOYSA-N 1 0 206.245 0.885 10 0 BCAERO O=C(NCc1ccoc1)[C@@H]1CCC[NH2+]C1 ZINC000130695506 182267633 /nfs/dbraw/zinc/26/76/33/182267633.db2.gz WLENNWNETBDONM-SNVBAGLBSA-N 1 0 208.261 0.895 10 0 BCAERO O=C(NCc1cn[nH]c1)[C@H]1CCC[NH2+]C1 ZINC000038006554 182270607 /nfs/dbraw/zinc/27/06/07/182270607.db2.gz VDLVQJPTWOCMCN-VIFPVBQESA-N 1 0 208.265 0.026 10 0 BCAERO O=C(N[C@@H](CO)c1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000063003715 182287431 /nfs/dbraw/zinc/28/74/31/182287431.db2.gz MBFDVYVJZFLPKY-STQMWFEESA-N 1 0 248.326 0.836 10 0 BCAERO CCN1C[C@H]([NH2+][C@H](C)CC(N)=O)[C@@H](C)C1 ZINC000336768876 170036795 /nfs/dbraw/zinc/03/67/95/170036795.db2.gz UOPOMGXNJJWDLX-AEJSXWLSSA-N 1 0 213.325 0.180 10 0 BCAERO O=C(N[C@@H]1C[NH+]2CCC1CC2)c1ccc(=O)[nH]c1 ZINC000020302660 182315043 /nfs/dbraw/zinc/31/50/43/182315043.db2.gz UATJGTLZNCYHFN-LLVKDONJSA-N 1 0 247.298 0.199 10 0 BCAERO O=C(N[C@H]1CCCOC1)C1CC[NH2+]CC1 ZINC000071023596 182329386 /nfs/dbraw/zinc/32/93/86/182329386.db2.gz MWVWUFQWJIXZJF-JTQLQIEISA-N 1 0 212.293 0.281 10 0 BCAERO O=C(N[C@H](CO)c1ccccc1)C1CC[NH2+]CC1 ZINC000063003706 182325252 /nfs/dbraw/zinc/32/52/52/182325252.db2.gz RFQQCNPYJJYIIZ-CYBMUJFWSA-N 1 0 248.326 0.836 10 0 BCAERO O=C(N[C@H]1CC[NH2+]C1)c1ccc(O)cc1 ZINC000036286851 182335785 /nfs/dbraw/zinc/33/57/85/182335785.db2.gz NYQNDEWOFNANED-VIFPVBQESA-N 1 0 206.245 0.484 10 0 BCAERO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]12)c1ncccc1O ZINC000049570583 182336732 /nfs/dbraw/zinc/33/67/32/182336732.db2.gz JWAVVAUBCVDNPB-VHSXEESVSA-N 1 0 247.298 0.754 10 0 BCAERO O=C(N[C@H]1CCOc2ccccc21)[C@H]1CC[NH2+]1 ZINC000336596591 182339075 /nfs/dbraw/zinc/33/90/75/182339075.db2.gz NVMMVWPYUMDMEI-WDEREUQCSA-N 1 0 232.283 0.988 10 0 BCAERO O=C(N[C@H]1CCc2ccccc2C1)C1C[NH2+]C1 ZINC000091412346 182340725 /nfs/dbraw/zinc/34/07/25/182340725.db2.gz MDAJXAJQRZOQBZ-ZDUSSCGKSA-N 1 0 230.311 0.880 10 0 BCAERO O=C(Nc1ccc2c(c1)CCC2)[C@@H]1C[NH2+]CCN1 ZINC000062812460 182363963 /nfs/dbraw/zinc/36/39/63/182363963.db2.gz FBYIUTKUAARAOD-ZDUSSCGKSA-N 1 0 245.326 0.675 10 0 BCAERO O=C(Nc1ccccc1CO)[C@H]1CC[NH2+]C1 ZINC000062113964 182377979 /nfs/dbraw/zinc/37/79/79/182377979.db2.gz QBIMWKTXLZOHSN-VIFPVBQESA-N 1 0 220.272 0.727 10 0 BCAERO O=C(Nc1ccccc1CO)[C@@H]1CC[NH2+]C1 ZINC000062113963 182378506 /nfs/dbraw/zinc/37/85/06/182378506.db2.gz QBIMWKTXLZOHSN-SECBINFHSA-N 1 0 220.272 0.727 10 0 BCAERO O=C(Nc1ncc[nH]1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000104200206 182398942 /nfs/dbraw/zinc/39/89/42/182398942.db2.gz VVSGIKGGIBKKQC-MRVPVSSYSA-N 1 0 248.208 0.890 10 0 BCAERO O=C([C@H]1CC[NH2+]C1)N(CC(F)F)C1CC1 ZINC000237772540 182639248 /nfs/dbraw/zinc/63/92/48/182639248.db2.gz RKASDWDBEUXPMP-ZETCQYMHSA-N 1 0 218.247 0.852 10 0 BCAERO O=C([C@H]1CCC[NH2+]1)N(CCO)C1CCCC1 ZINC000037824810 182636022 /nfs/dbraw/zinc/63/60/22/182636022.db2.gz DDPWNEQYEMWOAB-LLVKDONJSA-N 1 0 226.320 0.502 10 0 BCAERO O=C(c1cnccn1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000096249182 182701580 /nfs/dbraw/zinc/70/15/80/182701580.db2.gz VYKLCEGDJXLAGY-ZJUUUORDSA-N 1 0 232.287 0.158 10 0 BCAERO O=C1NCCCC[C@H]1[NH2+]CC[C@@H]1CCCO1 ZINC000038097327 182799943 /nfs/dbraw/zinc/79/99/43/182799943.db2.gz FJKNMGNAYBNSLP-WDEREUQCSA-N 1 0 226.320 0.814 10 0 BCAERO O=C1c2ccccc2C(=O)N1C1C[NH2+]C1 ZINC000022065883 182844600 /nfs/dbraw/zinc/84/46/00/182844600.db2.gz CCUNVVKGBQMMQU-UHFFFAOYSA-N 1 0 202.213 0.254 10 0 in-vitro BCAERO O=S(=O)(C[C@@H]1CCC[NH2+]1)c1cnccn1 ZINC000095073177 182890250 /nfs/dbraw/zinc/89/02/50/182890250.db2.gz LKTUYFGZTAKXIY-QMMMGPOBSA-N 1 0 227.289 0.002 10 0 BCAERO O=S(=O)(c1ccncc1)[C@@H]1CC[NH2+]C1 ZINC000095073028 182905355 /nfs/dbraw/zinc/90/53/55/182905355.db2.gz BWRGERASZTYFMT-SECBINFHSA-N 1 0 212.274 0.217 10 0 BCAERO O=S1(=O)CCC([NH2+][C@@H]2CCSC2)CC1 ZINC000036331233 182907387 /nfs/dbraw/zinc/90/73/87/182907387.db2.gz JKGXWYFOONONLU-SECBINFHSA-N 1 0 235.374 0.659 10 0 BCAERO O=S1(=O)CCN(CCC[C@@H]2CCC[NH2+]2)CC1 ZINC000052764367 182910312 /nfs/dbraw/zinc/91/03/12/182910312.db2.gz CBTWKDBGEVXNJU-NSHDSACASA-N 1 0 246.376 0.249 10 0 BCAERO O=S1(=O)CC[C@@H](C[NH2+][C@H]2CCSC2)C1 ZINC000038082561 182910976 /nfs/dbraw/zinc/91/09/76/182910976.db2.gz XTPFLHCDNSLSIV-IUCAKERBSA-N 1 0 235.374 0.516 10 0 BCAERO O=S1(=O)CC[C@H]([NH2+]C[C@@H](O)c2ccco2)C1 ZINC000032102155 182912745 /nfs/dbraw/zinc/91/27/45/182912745.db2.gz RINOYTJGDQGEIY-DTWKUNHWSA-N 1 0 245.300 0.090 10 0 BCAERO O=S1(=O)CC[C@H](CN2CCC[NH2+]CCC2)C1 ZINC000050604638 182912783 /nfs/dbraw/zinc/91/27/83/182912783.db2.gz LJJQHUYXCBWDEC-LLVKDONJSA-N 1 0 246.376 0.107 10 0 BCAERO CCCCS(=O)(=O)NCC[C@@H](C)[NH3+] ZINC000063171250 168925570 /nfs/dbraw/zinc/92/55/70/168925570.db2.gz SICZSELXZYVMPD-MRVPVSSYSA-N 1 0 208.327 0.443 10 0 BCAERO O=[S@@](c1cc(Cl)ncn1)[C@@H]1CC[NH2+]C1 ZINC000095070417 182965149 /nfs/dbraw/zinc/96/51/49/182965149.db2.gz ZLMHYQBGYDWIGI-RCNPXXIZSA-N 1 0 231.708 0.600 10 0 BCAERO O=[S@](C[C@H]1CCC[NH2+]1)c1ccc(Cl)nn1 ZINC000095069959 182966347 /nfs/dbraw/zinc/96/63/47/182966347.db2.gz FWARZWVNYAILDN-MLXNANBUSA-N 1 0 245.735 0.990 10 0 BCAERO O=[S@](c1cnccn1)[C@H]1CCC[NH2+]C1 ZINC000095073384 182968008 /nfs/dbraw/zinc/96/80/08/182968008.db2.gz IYXFCTVNURVDKM-RMLUDKJBSA-N 1 0 211.290 0.336 10 0 BCAERO O=c1ccnc(SC[C@@H]2CCC[NH2+]C2)[nH]1 ZINC000043471708 183005516 /nfs/dbraw/zinc/00/55/16/183005516.db2.gz ZEKUWWRQMKKYMG-MRVPVSSYSA-N 1 0 225.317 0.862 10 0 BCAERO OCCC[NH2+]CCN1CCCCCC1 ZINC000049474649 183055893 /nfs/dbraw/zinc/05/58/93/183055893.db2.gz ZNQFVTXFOYRFEH-UHFFFAOYSA-N 1 0 200.326 0.834 10 0 BCAERO OCC[NH+](CCO)C[C@@H]1Cc2ccccc21 ZINC000085576445 183065887 /nfs/dbraw/zinc/06/58/87/183065887.db2.gz PWVJRWZKCBBWDJ-LBPRGKRZSA-N 1 0 221.300 0.613 10 0 BCAERO OCC[N@@H+]1CCCN(CCc2cccnc2)CC1 ZINC000071350482 183071922 /nfs/dbraw/zinc/07/19/22/183071922.db2.gz JVIOVTREACXJTD-UHFFFAOYSA-N 1 0 249.358 0.624 10 0 BCAERO OCC[N@@H+]1CCCN(Cc2cccnc2)CC1 ZINC000071350511 183072190 /nfs/dbraw/zinc/07/21/90/183072190.db2.gz AHBRQZXZFRHQII-UHFFFAOYSA-N 1 0 235.331 0.582 10 0 BCAERO OCCN1CC[NH+](C[C@@H]2Cc3ccccc32)CC1 ZINC000090981423 183074037 /nfs/dbraw/zinc/07/40/37/183074037.db2.gz KDVDCHIUVWGPJY-AWEZNQCLSA-N 1 0 246.354 0.936 10 0 BCAERO OCCN1CC[NH+](C[C@H]2Cc3ccccc32)CC1 ZINC000090981422 183074749 /nfs/dbraw/zinc/07/47/49/183074749.db2.gz KDVDCHIUVWGPJY-CQSZACIVSA-N 1 0 246.354 0.936 10 0 BCAERO OC[C@@H]([C@H]1CC=CCC1)[N@@H+]1CCC[NH2+]CC1 ZINC000038117502 183114817 /nfs/dbraw/zinc/11/48/17/183114817.db2.gz NMVWNLHHTIGZDK-STQMWFEESA-N 1 0 224.348 0.999 10 0 BCAERO OCC[C@H]1CC[N@H+](CCCN2CCOCC2)C1 ZINC000336719566 183098165 /nfs/dbraw/zinc/09/81/65/183098165.db2.gz XWWXRCHKNZNIIM-CYBMUJFWSA-N 1 0 242.363 0.413 10 0 BCAERO OC[C@@]1(N2CCC[NH2+]CC2)CCSC1 ZINC000038117146 183134357 /nfs/dbraw/zinc/13/43/57/183134357.db2.gz GRPKNPKFWXTOIU-JTQLQIEISA-N 1 0 216.350 0.150 10 0 BCAERO OC[C@H]1CN(CC(F)(F)F)CCC[NH2+]1 ZINC000062570521 183154917 /nfs/dbraw/zinc/15/49/17/183154917.db2.gz UULKDRXNORKQBN-SSDOTTSWSA-N 1 0 212.215 0.205 10 0 BCAERO OC[C@]1(C[NH+]2CCN(C3CC3)CC2)CCOC1 ZINC000051296048 183157469 /nfs/dbraw/zinc/15/74/69/183157469.db2.gz KCTKGGYIDRYVQM-CYBMUJFWSA-N 1 0 240.347 0.165 10 0 BCAERO OC[C@]1([NH2+]C[C@H]2CCCO2)CCSC1 ZINC000038114346 183159080 /nfs/dbraw/zinc/15/90/80/183159080.db2.gz QIUYQQOYGXGBFY-NXEZZACHSA-N 1 0 217.334 0.623 10 0 BCAERO OC[C@H](c1cccc(O)c1)N1CC[NH2+]CC1 ZINC000038120833 183145812 /nfs/dbraw/zinc/14/58/12/183145812.db2.gz PWKRRHZKVAAZHA-GFCCVEGCSA-N 1 0 222.288 0.331 10 0 BCAERO CCCN(C(=O)c1cn[nH]c1)[C@@H]1CC[NH2+]C1 ZINC000037469905 169048111 /nfs/dbraw/zinc/04/81/11/169048111.db2.gz NRLZVRASBFDAFL-SNVBAGLBSA-N 1 0 222.292 0.624 10 0 BCAERO CCCN(C(C)C)[C@H]1CS(=O)(=O)C[C@@H]1[NH3+] ZINC000054492930 169049316 /nfs/dbraw/zinc/04/93/16/169049316.db2.gz DLLRAEZWGSLERL-UWVGGRQHSA-N 1 0 234.365 0.231 10 0 BCAERO O[C@@H]1CCC[C@H]([NH2+]Cc2ccncn2)C1 ZINC000054789554 183196426 /nfs/dbraw/zinc/19/64/26/183196426.db2.gz PYYKHJAKGOFQFM-GXSJLCMTSA-N 1 0 207.277 0.870 10 0 BCAERO O[C@@H]1CC[NH2+]CC12CN(Cc1ccccc1)C2 ZINC000082344271 183199918 /nfs/dbraw/zinc/19/99/18/183199918.db2.gz DAFYWFCXUWIZEE-CYBMUJFWSA-N 1 0 232.327 0.843 10 0 BCAERO O[C@@H]1CCCC[C@@H]1[N@@H+]1CC[C@@H](c2nnc[nH]2)C1 ZINC000333748252 183189062 /nfs/dbraw/zinc/18/90/62/183189062.db2.gz NHOIOTWKWUMZDR-OUAUKWLOSA-N 1 0 236.319 0.898 10 0 BCAERO O[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccncn1 ZINC000054789922 183189482 /nfs/dbraw/zinc/18/94/82/183189482.db2.gz LMTGKXQOXOOCEU-WDEREUQCSA-N 1 0 207.277 0.870 10 0 BCAERO CCCN(C)C1(C[NH3+])CCS(=O)(=O)CC1 ZINC000042332259 169064083 /nfs/dbraw/zinc/06/40/83/169064083.db2.gz XCOYPYCHODNBIA-UHFFFAOYSA-N 1 0 234.365 0.234 10 0 BCAERO O[C@@H]1CCC[C@@H]([NH2+]Cc2cnccn2)C1 ZINC000054766409 183195278 /nfs/dbraw/zinc/19/52/78/183195278.db2.gz ARYPDPKHAYFZJN-MWLCHTKSSA-N 1 0 207.277 0.870 10 0 BCAERO O[C@@]1(c2ccccn2)C[NH+]2CCC1CC2 ZINC000013740311 183217516 /nfs/dbraw/zinc/21/75/16/183217516.db2.gz FHOSTDOWRPDWLG-LBPRGKRZSA-N 1 0 204.273 0.995 10 0 BCAERO CCCN(CC(=O)OC)C(=O)[C@H]1C[NH2+]C[C@@H]1C ZINC000104225637 169100266 /nfs/dbraw/zinc/10/02/66/169100266.db2.gz FHGMOOJVYJCRAT-UWVGGRQHSA-N 1 0 242.319 0.254 10 0 BCAERO CCCN(C)S(=O)(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000249390182 169083975 /nfs/dbraw/zinc/08/39/75/169083975.db2.gz BQBTWGWABAOVBB-VHSXEESVSA-N 1 0 249.380 0.303 10 0 BCAERO O[C@@H]1C[NH2+][C@@H](COCc2ccccc2)C[C@H]1O ZINC000035567027 183208707 /nfs/dbraw/zinc/20/87/07/183208707.db2.gz JGUOEEMRKOPRQJ-JHJVBQTASA-N 1 0 237.299 0.287 10 0 BCAERO CCCN([C@@H]1CCOC1=O)C1CC[NH2+]CC1 ZINC000037469593 169091041 /nfs/dbraw/zinc/09/10/41/169091041.db2.gz WWDCUENCPAGGRV-LLVKDONJSA-N 1 0 226.320 0.766 10 0 BCAERO CCCN([C@@H](C)C(=O)N(C)C)C1CC[NH2+]CC1 ZINC000037539304 169091060 /nfs/dbraw/zinc/09/10/60/169091060.db2.gz XNUYYVAJUYOSAT-NSHDSACASA-N 1 0 241.379 0.927 10 0 BCAERO O[C@@H]1COC[C@H]1[NH2+]CCc1ccc(F)cc1 ZINC000037875053 183209439 /nfs/dbraw/zinc/20/94/39/183209439.db2.gz IGXKQVJRDCVXRN-VXGBXAGGSA-N 1 0 225.263 0.718 10 0 BCAERO O[C@@H]1COC[C@H]1[NH2+]CCc1ccccc1 ZINC000037878384 183209726 /nfs/dbraw/zinc/20/97/26/183209726.db2.gz ZGAJKKGINOTABQ-VXGBXAGGSA-N 1 0 207.273 0.578 10 0 BCAERO CCCN(CC(=O)N1CCC1)[C@@H]1CCC[NH2+]C1 ZINC000104333176 169093669 /nfs/dbraw/zinc/09/36/69/169093669.db2.gz BIKGSGIPHDFYTO-GFCCVEGCSA-N 1 0 239.363 0.683 10 0 BCAERO CCCN(CC(=O)OC)C(=O)C[NH2+][C@H](C)CC ZINC000037813084 169099811 /nfs/dbraw/zinc/09/98/11/169099811.db2.gz SSIPTWRFQKXYDP-SNVBAGLBSA-N 1 0 244.335 0.786 10 0 BCAERO O[C@H]1CCOC[C@H]1N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000062941497 183241364 /nfs/dbraw/zinc/24/13/64/183241364.db2.gz RXBQZFCSCBTHJF-UPJWGTAASA-N 1 0 240.347 0.306 10 0 BCAERO O[C@H]1COC[C@@H]1[NH2+]Cc1ccc(F)cc1 ZINC000037880030 183246302 /nfs/dbraw/zinc/24/63/02/183246302.db2.gz WJZPHIDOFXUGAF-QWRGUYRKSA-N 1 0 211.236 0.675 10 0 BCAERO O[C@@H]1C[NH2+][C@@H](CCNc2ccccc2)[C@@H]1O ZINC000013859322 183249297 /nfs/dbraw/zinc/24/92/97/183249297.db2.gz HAOLJUHRPKTQFK-TUAOUCFPSA-N 1 0 222.288 0.182 10 0 BCAERO O[C@]1(c2ccccn2)C[NH+]2CCC1CC2 ZINC000013740312 183252828 /nfs/dbraw/zinc/25/28/28/183252828.db2.gz FHOSTDOWRPDWLG-GFCCVEGCSA-N 1 0 204.273 0.995 10 0 BCAERO O[C@H]1CCCC[C@H]1[NH2+]CCn1cccn1 ZINC000042540819 183232565 /nfs/dbraw/zinc/23/25/65/183232565.db2.gz GJUWWIWPSFEKRD-MNOVXSKESA-N 1 0 209.293 0.776 10 0 BCAERO O[C@H]1CCC[C@@H]([NH2+]Cc2cncnc2)C1 ZINC000054767862 183235966 /nfs/dbraw/zinc/23/59/66/183235966.db2.gz FQIVXENBLKVOBO-MNOVXSKESA-N 1 0 207.277 0.870 10 0 BCAERO O[C@H]1CCC[C@@H]1[NH2+]CCN1CCCCC1 ZINC000049575147 183237164 /nfs/dbraw/zinc/23/71/64/183237164.db2.gz MGCFAKGCZNOBQE-RYUDHWBXSA-N 1 0 212.337 0.975 10 0 BCAERO CCCN(CCC[NH3+])c1cc(C)nc2ncnn21 ZINC000035663717 169156615 /nfs/dbraw/zinc/15/66/15/169156615.db2.gz FGPKLTRDLMZCAC-UHFFFAOYSA-N 1 0 248.334 0.998 10 0 BCAERO CCC[N@H+](CCN(C)C)CCn1ccc(N)n1 ZINC000071378198 169158678 /nfs/dbraw/zinc/15/86/78/169158678.db2.gz QFIJXPMVSNQSPP-UHFFFAOYSA-N 1 0 239.367 0.739 10 0 BCAERO CCCN(CC[NH3+])[C@H](C)C(=O)NCCCOC ZINC000041160712 169158742 /nfs/dbraw/zinc/15/87/42/169158742.db2.gz AEGCQEDIOLUHKH-LLVKDONJSA-N 1 0 245.367 0.198 10 0 BCAERO Oc1cncc(N2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000033975453 183304780 /nfs/dbraw/zinc/30/47/80/183304780.db2.gz VUGNXGAJCUBYBO-DTORHVGOSA-N 1 0 205.261 0.443 10 0 BCAERO CCC[N@H+](CC[C@@H](NCC)C(N)=O)CC1CC1 ZINC000062460053 169171149 /nfs/dbraw/zinc/17/11/49/169171149.db2.gz GFVBVSCXCSYHMC-GFCCVEGCSA-N 1 0 241.379 0.962 10 0 BCAERO CCCN([C@@H](C)C(=O)NCC)[C@H]1CCC[NH2+]C1 ZINC000104334200 169181454 /nfs/dbraw/zinc/18/14/54/169181454.db2.gz CBDPLBHOCJHNNC-RYUDHWBXSA-N 1 0 241.379 0.975 10 0 BCAERO CCCN([C@@H](C)C(=O)NC(C)C)[C@@H]1CC[NH2+]C1 ZINC000071332127 169181643 /nfs/dbraw/zinc/18/16/43/169181643.db2.gz ZNCYDNAFTBTJPK-NWDGAFQWSA-N 1 0 241.379 0.973 10 0 BCAERO CCCN1C(=O)N[C@@H](Cc2c[nH]cn2)C1=O ZINC000039098465 169184350 /nfs/dbraw/zinc/18/43/50/169184350.db2.gz FFMKPTNKWSCTOK-QMMMGPOBSA-N 1 0 222.248 0.283 10 0 BCAERO CCC[NH+]1CCC(N)(C(=O)OC)CC1 ZINC000037459613 169186727 /nfs/dbraw/zinc/18/67/27/169186727.db2.gz UCXNFOOVKOTNMJ-UHFFFAOYSA-N 1 0 200.282 0.363 10 0 BCAERO CCCN1CCN(C(=O)[C@@H]([NH3+])C(C)(C)C)CC1 ZINC000042356424 169201109 /nfs/dbraw/zinc/20/11/09/169201109.db2.gz WTPJJATWPCUBBF-LLVKDONJSA-N 1 0 241.379 0.914 10 0 BCAERO CCC[NH+]1CCN(C(=O)[C@@H]2CSCN2)CC1 ZINC000019425357 169201227 /nfs/dbraw/zinc/20/12/27/169201227.db2.gz HVLFVJZJXHLVEG-JTQLQIEISA-N 1 0 243.376 0.203 10 0 BCAERO CCCN1CCN(C(=O)[C@H]([NH3+])[C@H](C)CC)CC1 ZINC000019518826 169202137 /nfs/dbraw/zinc/20/21/37/169202137.db2.gz KEXPMSKVUMWCHA-VXGBXAGGSA-N 1 0 241.379 0.914 10 0 BCAERO CCCNC(=O)C[NH2+]CCCOCC ZINC000020054993 169225852 /nfs/dbraw/zinc/22/58/52/169225852.db2.gz RLMLYEICJULHFQ-UHFFFAOYSA-N 1 0 202.298 0.529 10 0 BCAERO CCCNC(=O)CN[C@@H](C)[C@H]1CCC[N@H+](C)C1 ZINC000036780838 169227235 /nfs/dbraw/zinc/22/72/35/169227235.db2.gz YQVRNGPBLDZVFF-RYUDHWBXSA-N 1 0 241.379 0.833 10 0 BCAERO CCCNC(=O)CCNC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000091546888 169216462 /nfs/dbraw/zinc/21/64/62/169216462.db2.gz NVRFQWJPAOLOBJ-ZJUUUORDSA-N 1 0 241.335 0.146 10 0 BCAERO CCCNC(=O)CN(CCC)C(=O)[C@@H](C)[NH2+]C ZINC000054075321 169219154 /nfs/dbraw/zinc/21/91/54/169219154.db2.gz TVQCUUUMPGYKDQ-SNVBAGLBSA-N 1 0 243.351 0.359 10 0 BCAERO CCCNC(=O)CN1CC[C@H](C)C[C@H]1C[NH3+] ZINC000250355306 169221995 /nfs/dbraw/zinc/22/19/95/169221995.db2.gz DTWSZCXYPSLFPD-QWRGUYRKSA-N 1 0 227.352 0.572 10 0 BCAERO CCC[NH2+]CCN(C)c1cc(C)nc2ncnn21 ZINC000053692065 169258034 /nfs/dbraw/zinc/25/80/34/169258034.db2.gz WCSIEOXVBDKBJJ-UHFFFAOYSA-N 1 0 248.334 0.869 10 0 BCAERO c1cc(CN[C@@H]2CC[NH2+]C2)cc2c1OCO2 ZINC000086725162 183368218 /nfs/dbraw/zinc/36/82/18/183368218.db2.gz DJNQJUNNAHFQFE-SNVBAGLBSA-N 1 0 220.272 0.867 10 0 BCAERO CCC[NH2+]CCNc1nccn(CC)c1=O ZINC000061768441 169260156 /nfs/dbraw/zinc/26/01/56/169260156.db2.gz BEUURHIRASKFRH-UHFFFAOYSA-N 1 0 224.308 0.675 10 0 BCAERO c1cc2nc(c1)CNCCC[NH2+]CCCNC2 ZINC000003783050 183376634 /nfs/dbraw/zinc/37/66/34/183376634.db2.gz WPDDXLXLHUKSGP-UHFFFAOYSA-N 1 0 234.347 0.644 10 0 BCAERO CCCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1CC(O)C2 ZINC000104260624 169242729 /nfs/dbraw/zinc/24/27/29/169242729.db2.gz KJNODWGIOJSWRY-YIBTVLSRSA-N 1 0 240.347 0.889 10 0 BCAERO CCCNC(=O)[C@H](C)[NH2+]CC(=O)N(C)C1CC1 ZINC000049305395 169246527 /nfs/dbraw/zinc/24/65/27/169246527.db2.gz UZHVSYUINKRZOC-VIFPVBQESA-N 1 0 241.335 0.112 10 0 BCAERO c1ccc(-n2nnnc2NC[C@@H]2CC[NH2+]C2)cc1 ZINC000133788418 183387702 /nfs/dbraw/zinc/38/77/02/183387702.db2.gz TYORJVUEVXHCDH-SNVBAGLBSA-N 1 0 244.302 0.684 10 0 BCAERO c1ccc(-n2nnnc2N[C@H]2CC[NH2+]C2)cc1 ZINC000052093917 183387976 /nfs/dbraw/zinc/38/79/76/183387976.db2.gz OLXZBPXMIIAQRJ-VIFPVBQESA-N 1 0 230.275 0.436 10 0 BCAERO c1ccc(-n2nnnc2NC[C@@H]2CCC[NH2+]2)cc1 ZINC000053255361 183388134 /nfs/dbraw/zinc/38/81/34/183388134.db2.gz AFGKLXGJQNENAA-JTQLQIEISA-N 1 0 244.302 0.826 10 0 BCAERO c1ccc(-n2nnnc2OC[C@H]2CC[NH2+]C2)cc1 ZINC000051888651 183388141 /nfs/dbraw/zinc/38/81/41/183388141.db2.gz YWGHVHNUJNJSKR-JTQLQIEISA-N 1 0 245.286 0.651 10 0 BCAERO CCC[NH2+]Cc1nnnn1C[C@@H]1CCCCO1 ZINC000054747058 169269577 /nfs/dbraw/zinc/26/95/77/169269577.db2.gz TZBCMLQOEVUVTD-JTQLQIEISA-N 1 0 239.323 0.742 10 0 BCAERO CCC[NH2+][C@@H](C)Cn1cnc2c(cnn2C)c1=O ZINC000109363644 169276418 /nfs/dbraw/zinc/27/64/18/169276418.db2.gz QZCVQAPVBIYNOE-VIFPVBQESA-N 1 0 249.318 0.518 10 0 BCAERO CCC[NH2+][C@@H]1CCN([C@@H]2CCS(=O)(=O)C2)C1 ZINC000037241198 169283235 /nfs/dbraw/zinc/28/32/35/169283235.db2.gz NNBHTYBFUSABCY-GHMZBOCLSA-N 1 0 246.376 0.247 10 0 BCAERO CCCOCC(=O)N(C)C[C@H]1CC[N@H+](C)C1 ZINC000104505576 169301654 /nfs/dbraw/zinc/30/16/54/169301654.db2.gz MSAOSDMVWFLTQA-NSHDSACASA-N 1 0 228.336 0.823 10 0 BCAERO CCCOCC(=O)N1CCCC[C@H]1C[NH3+] ZINC000226232929 169303315 /nfs/dbraw/zinc/30/33/15/169303315.db2.gz BFGPXPKWXHQKEI-JTQLQIEISA-N 1 0 214.309 0.753 10 0 BCAERO CCCO[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000040501321 169311587 /nfs/dbraw/zinc/31/15/87/169311587.db2.gz KTGSKJYXZLIGDE-VIFPVBQESA-N 1 0 200.282 0.363 10 0 BCAERO CCC[NH2+][C@H]1CCN([C@@H]2CCS(=O)(=O)C2)C1 ZINC000037241200 169291553 /nfs/dbraw/zinc/29/15/53/169291553.db2.gz NNBHTYBFUSABCY-WDEREUQCSA-N 1 0 246.376 0.247 10 0 BCAERO CCC[NH2+][C@H]1CCN(c2cnn(C)c2)C1 ZINC000035737979 169291672 /nfs/dbraw/zinc/29/16/72/169291672.db2.gz OTQJHXSPYCFJGY-JTQLQIEISA-N 1 0 208.309 0.998 10 0 BCAERO c1nn(CCN2CC[NH2+]CC2)c2ccccc12 ZINC000050526012 183454612 /nfs/dbraw/zinc/45/46/12/183454612.db2.gz VVHJXOUDISOHEZ-UHFFFAOYSA-N 1 0 230.315 0.942 10 0 BCAERO CCC[C@@H](C)NC(=O)[C@H](C)[NH2+][C@@H]1CCN(C)C1 ZINC000042547190 169368918 /nfs/dbraw/zinc/36/89/18/169368918.db2.gz DUTUVFRJWXMDSE-GRYCIOLGSA-N 1 0 241.379 0.973 10 0 BCAERO CCC[C@@H](C)C(=O)N1CCC[N@H+](CCO)CC1 ZINC000071348337 169348848 /nfs/dbraw/zinc/34/88/48/169348848.db2.gz YTIDJGNYMZFTEN-GFCCVEGCSA-N 1 0 242.363 0.949 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)N(C)CC(=O)N1CCCC1 ZINC000037818233 169387250 /nfs/dbraw/zinc/38/72/50/169387250.db2.gz AJHLIAPMGJLXBK-SNVBAGLBSA-N 1 0 241.335 0.195 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)N1CC[C@@H](COCC)C1 ZINC000236910702 169387595 /nfs/dbraw/zinc/38/75/95/169387595.db2.gz ADSHDYWMPBMEHB-GHMZBOCLSA-N 1 0 228.336 0.999 10 0 BCAERO CCC[C@@H](CC[NH3+])C(=O)N1CCN(CC)CC1 ZINC000076623992 169382119 /nfs/dbraw/zinc/38/21/19/169382119.db2.gz HRXRXTPUUWDJOI-LBPRGKRZSA-N 1 0 241.379 0.916 10 0 BCAERO CCC[C@@H](C[NH3+])[C@@H]1CCS(=O)(=O)C1 ZINC000052946372 169383643 /nfs/dbraw/zinc/38/36/43/169383643.db2.gz MUXYFKHHQWXNQO-DTWKUNHWSA-N 1 0 205.323 0.796 10 0 BCAERO CCC[C@@H](C[NH3+])N1CCN(C(=O)C(C)C)CC1 ZINC000110444090 169384086 /nfs/dbraw/zinc/38/40/86/169384086.db2.gz JJQLDXJQRPVDFS-LBPRGKRZSA-N 1 0 241.379 0.914 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)N(C)C[C@H](C)C(=O)OC ZINC000037823524 169386351 /nfs/dbraw/zinc/38/63/51/169386351.db2.gz VQHYGNDFSUSVFZ-DTWKUNHWSA-N 1 0 230.308 0.381 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)N(CC)CCC(=O)OC ZINC000236898215 169386982 /nfs/dbraw/zinc/38/69/82/169386982.db2.gz HIXZAGOOFZDCPY-SECBINFHSA-N 1 0 230.308 0.525 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)NCCC[C@@H](C)CO ZINC000226697841 169389423 /nfs/dbraw/zinc/38/94/23/169389423.db2.gz SGSWZXHEPSIEPI-NXEZZACHSA-N 1 0 216.325 0.639 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)NCCSCC(=O)OC ZINC000236947989 169389748 /nfs/dbraw/zinc/38/97/48/169389748.db2.gz VXZJUHINPYIFCE-MRVPVSSYSA-N 1 0 248.348 0.136 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)N1CCN(CC2CC2)CC1 ZINC000037816824 169388508 /nfs/dbraw/zinc/38/85/08/169388508.db2.gz JSUBDUGIGJHHJD-GFCCVEGCSA-N 1 0 239.363 0.668 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)NCCCSC ZINC000069013832 169388913 /nfs/dbraw/zinc/38/89/13/169388913.db2.gz DUIAYAWCWOJVBC-MRVPVSSYSA-N 1 0 204.339 0.983 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)NCCSCCCO ZINC000226683580 169388944 /nfs/dbraw/zinc/38/89/44/169388944.db2.gz CPOSSJIBLWSFJO-SECBINFHSA-N 1 0 234.365 0.346 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)NCCC(=O)N(CC)CC ZINC000037752931 169389243 /nfs/dbraw/zinc/38/92/43/169389243.db2.gz XXNUBYDKQTVWSP-SNVBAGLBSA-N 1 0 243.351 0.489 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)N[C@@H](C)c1cn[nH]c1 ZINC000226696816 169390908 /nfs/dbraw/zinc/39/09/08/169390908.db2.gz IRYNOHCWDHASQC-IONNQARKSA-N 1 0 210.281 0.714 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)N[C@@H](C)C(=O)NC(C)(C)C ZINC000134454068 169391029 /nfs/dbraw/zinc/39/10/29/169391029.db2.gz FHKYXESGDGCENL-DTWKUNHWSA-N 1 0 243.351 0.533 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)N[C@H](C)CCOC ZINC000081712394 169391086 /nfs/dbraw/zinc/39/10/86/169391086.db2.gz AHBIPFWQZSCQIS-RKDXNWHRSA-N 1 0 202.298 0.655 10 0 BCAERO CNC(=O)C[C@H](C)[NH2+][C@@H]1CC[C@@H]([NH+](C)C)C1 ZINC000222736675 134334251 /nfs/dbraw/zinc/33/42/51/134334251.db2.gz LPYFFVNPXHCPNE-HBNTYKKESA-N 1 0 227.352 0.583 10 0 BCAERO C[C@H](CC(N)=O)[NH2+][C@@H]1CC[C@@H]([NH+](C)C)C1 ZINC000222739421 134334273 /nfs/dbraw/zinc/33/42/73/134334273.db2.gz KIYZYXFCQAHWNL-OPRDCNLKSA-N 1 0 213.325 0.323 10 0 BCAERO CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](C[NH3+])C1 ZINC000082347421 166653621 /nfs/dbraw/zinc/65/36/21/166653621.db2.gz RIMYCVANDMMPSG-IUCAKERBSA-N 1 0 230.308 0.563 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N1[C@H](C)COC[C@H]1C ZINC000246797920 169501109 /nfs/dbraw/zinc/50/11/09/169501109.db2.gz RNYREIQHFQXIHM-BBBLOLIVSA-N 1 0 214.309 0.750 10 0 BCAERO CCC[C@H](O)CNC(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000226347916 169516920 /nfs/dbraw/zinc/51/69/20/169516920.db2.gz PVKRBDZLMBBNOU-AXFHLTTASA-N 1 0 228.336 0.781 10 0 BCAERO CCC[C@H]1NC(=O)N(C[C@H]2CCC[NH2+]C2)C1=O ZINC000043493718 169540313 /nfs/dbraw/zinc/54/03/13/169540313.db2.gz PFQPRWVZXHZOER-VHSXEESVSA-N 1 0 239.319 0.707 10 0 BCAERO CCC[C@@H]1C[C@@H]1NC(=O)[C@H]([NH3+])COC ZINC000261528620 535462766 /nfs/dbraw/zinc/46/27/66/535462766.db2.gz MSXBNQGFQQEGHM-HLTSFMKQSA-N 1 0 200.282 0.265 10 0 BCAERO CCN(C(=O)CN(C)[C@H]1CCC[NH2+]C1)C1CC1 ZINC000104360348 169635800 /nfs/dbraw/zinc/63/58/00/169635800.db2.gz GVIBUKRKHMUPKX-LBPRGKRZSA-N 1 0 239.363 0.681 10 0 BCAERO CCN(C(=O)CSC)C1CC[NH2+]CC1 ZINC000037469428 169637339 /nfs/dbraw/zinc/63/73/39/169637339.db2.gz VZOLGRFFZZXRGF-UHFFFAOYSA-N 1 0 216.350 0.950 10 0 BCAERO C[C@H](CO)[C@H](C)[NH2+][C@H]1CCCC[C@@H]1O ZINC000226237551 134362090 /nfs/dbraw/zinc/36/20/90/134362090.db2.gz NODCZEGACAXGER-RCWTZXSCSA-N 1 0 201.310 0.896 10 0 BCAERO COC(=O)[C@H](C)C[N@@H+]1CC[C@@H]([C@@H](C)O)C1 ZINC000226458747 134363165 /nfs/dbraw/zinc/36/31/65/134363165.db2.gz MDMZUDUBHGCJBE-OPRDCNLKSA-N 1 0 215.293 0.498 10 0 BCAERO COC(=O)CCCN1C[C@H](C)[C@H]([NH+](C)C)C1 ZINC000227228708 134376392 /nfs/dbraw/zinc/37/63/92/134376392.db2.gz POJCMFGFPOVGQS-WDEREUQCSA-N 1 0 228.336 0.822 10 0 BCAERO COc1c(C[NH2+]CC(C)(C)O)c(C)nn1C ZINC000111385908 383859808 /nfs/dbraw/zinc/85/98/08/383859808.db2.gz UBMSIEHSKZWQTQ-UHFFFAOYSA-N 1 0 227.308 0.598 10 0 BCAERO Cn1nnnc1S[C@@H]1CCC[C@@H]1C[NH3+] ZINC000035722705 383869793 /nfs/dbraw/zinc/86/97/93/383869793.db2.gz NPIZFDOHIVPSRT-RNFRBKRXSA-N 1 0 213.310 0.430 10 0 BCAERO CCCCCNC(=O)[C@H](C)N1C[C@H]([NH3+])[C@@H](C)C1 ZINC000300047384 383910445 /nfs/dbraw/zinc/91/04/45/383910445.db2.gz DCOWXLNQQIBBRV-SRVKXCTJSA-N 1 0 241.379 0.960 10 0 BCAERO CCC[C@H](C)NC(=O)[C@H](C)N1C[C@H]([NH3+])[C@@H](C)C1 ZINC000300049087 383928073 /nfs/dbraw/zinc/92/80/73/383928073.db2.gz PGEZYHKWGGJHDF-BJDJZHNGSA-N 1 0 241.379 0.959 10 0 BCAERO CCOC(=O)[C@@H]1C[NH2+][C@@H](C)c2ccnn2C1 ZINC000396154318 383896599 /nfs/dbraw/zinc/89/65/99/383896599.db2.gz DFKSCBMDLAPHEG-DTWKUNHWSA-N 1 0 223.276 0.727 10 0 BCAERO [NH3+]CCc1ncc2cnc3[nH]ccc3n21 ZINC000088347426 383896790 /nfs/dbraw/zinc/89/67/90/383896790.db2.gz MVVVJUBHIXONPI-UHFFFAOYSA-N 1 0 201.233 0.712 10 0 BCAERO CC(C)([NH3+])c1nc2c(cccc2C(N)=O)[nH]1 ZINC000036470975 383901238 /nfs/dbraw/zinc/90/12/38/383901238.db2.gz PUFLZOQOLMEQIG-UHFFFAOYSA-N 1 0 218.260 0.856 10 0 BCAERO Cc1cc2c(N[C@@H]3CC[NH2+]C3)nccn2n1 ZINC000156979330 383979524 /nfs/dbraw/zinc/97/95/24/383979524.db2.gz PFZXBBIHDFBOMV-SECBINFHSA-N 1 0 217.276 0.812 10 0 BCAERO COCCC1(C(=O)NC(C)C)CC[NH2+]CC1 ZINC000643613662 383995565 /nfs/dbraw/zinc/99/55/65/383995565.db2.gz ANBOLZAKWOZZFU-UHFFFAOYSA-N 1 0 228.336 0.917 10 0 BCAERO CC[C@H](CCO)CNC(=O)[C@H]1CC[C@@H](C[NH3+])O1 ZINC000227580617 134385659 /nfs/dbraw/zinc/38/56/59/134385659.db2.gz ZOPLWQBXOXDREH-OUAUKWLOSA-N 1 0 244.335 0.018 10 0 BCAERO CCC[C@H](C(=O)OCC)N1C[C@H]([NH3+])[C@@H](C)C1 ZINC000300050461 383938508 /nfs/dbraw/zinc/93/85/08/383938508.db2.gz ZXBWISRDVMJQIX-GARJFASQSA-N 1 0 228.336 0.997 10 0 BCAERO C[NH+](C)CCn1ncc2cc(N)c(N)cc21 ZINC000089197656 383942918 /nfs/dbraw/zinc/94/29/18/383942918.db2.gz VWHYZCFFNVNGIM-UHFFFAOYSA-N 1 0 219.292 0.762 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N[C@H](CC)COC ZINC000070626276 383944851 /nfs/dbraw/zinc/94/48/51/383944851.db2.gz YOLWIRCXUWCQFS-BDAKNGLRSA-N 1 0 202.298 0.655 10 0 BCAERO c1nc2c(c(N3CC[NH2+]CC3)n1)CN=N2 ZINC000089223012 383948665 /nfs/dbraw/zinc/94/86/65/383948665.db2.gz CKYQTOKQHLWBGH-UHFFFAOYSA-N 1 0 204.237 0.484 10 0 BCAERO Cc1ccc2c(c1)c(CC[NH3+])cn2CC(N)=O ZINC000068576860 384000487 /nfs/dbraw/zinc/00/04/87/384000487.db2.gz CTRFFSOROZJNRH-UHFFFAOYSA-N 1 0 231.299 0.936 10 0 BCAERO C[C@@](F)(C[NH3+])C1CCS(=O)(=O)CC1 ZINC000259495396 383965584 /nfs/dbraw/zinc/96/55/84/383965584.db2.gz OPTZIMASYFFNBC-MRVPVSSYSA-N 1 0 209.286 0.498 10 0 BCAERO [NH3+]C[C@@H](CO)Cc1ccc2c(c1)CCO2 ZINC000037362303 383971824 /nfs/dbraw/zinc/97/18/24/383971824.db2.gz QNISZMPVDUGSCG-JTQLQIEISA-N 1 0 207.273 0.731 10 0 BCAERO O=C1NCCC[C@@H]1[NH2+][C@H]1CCSC1 ZINC000050393982 384016028 /nfs/dbraw/zinc/01/60/28/384016028.db2.gz QMJCZNYMTBGTBR-YUMQZZPRSA-N 1 0 200.307 0.360 10 0 BCAERO CCCN(CCC)C(=O)[C@H]1C[NH2+]CCOC1 ZINC000643615271 384019732 /nfs/dbraw/zinc/01/97/32/384019732.db2.gz YZIWQMDWVJAONM-NSHDSACASA-N 1 0 228.336 0.871 10 0 BCAERO CCCNC(=O)C1(CCOC)CC[NH2+]CC1 ZINC000643616129 384005237 /nfs/dbraw/zinc/00/52/37/384005237.db2.gz KIOBDDZBHZLJHQ-UHFFFAOYSA-N 1 0 228.336 0.919 10 0 BCAERO COC[C@]1(C(=O)N(C)C(C)C)CCC[NH2+]1 ZINC000643616361 384007594 /nfs/dbraw/zinc/00/75/94/384007594.db2.gz SHRCCCXIKRHWOR-NSHDSACASA-N 1 0 214.309 0.622 10 0 BCAERO O=C([C@H]1C[NH2+]CCOC1)N1CCc2ccccc21 ZINC000643615648 384007738 /nfs/dbraw/zinc/00/77/38/384007738.db2.gz SPARKJDHOJWLPL-LBPRGKRZSA-N 1 0 246.310 0.812 10 0 BCAERO CC(C)CCNC(=O)[C@H]1C[NH2+]CCOC1 ZINC000643615633 384007914 /nfs/dbraw/zinc/00/79/14/384007914.db2.gz SCNDVUSZYQFQPY-JTQLQIEISA-N 1 0 214.309 0.385 10 0 BCAERO Cc1nnc(NC(=O)[C@@H]2C[NH2+]CCOC2)s1 ZINC000643617522 384010987 /nfs/dbraw/zinc/01/09/87/384010987.db2.gz GMAGWRVSJBQKGV-SSDOTTSWSA-N 1 0 242.304 0.021 10 0 BCAERO Cc1n[nH]c(C)c1NC(=O)[C@@H]1C[NH2+]CCOC1 ZINC000643618030 384013978 /nfs/dbraw/zinc/01/39/78/384013978.db2.gz ZFTNHVGJUJLBSH-SECBINFHSA-N 1 0 238.291 0.201 10 0 BCAERO O=C(NC1(C2CC2)CC1)[C@@H]1C[NH2+]CCOC1 ZINC000643704180 384083824 /nfs/dbraw/zinc/08/38/24/384083824.db2.gz LVDIYTIYJFIXQF-SECBINFHSA-N 1 0 224.304 0.281 10 0 BCAERO COC[C@]1(C(=O)N[C@@H](C)CCCO)CCC[NH2+]1 ZINC000643704277 384086235 /nfs/dbraw/zinc/08/62/35/384086235.db2.gz OJQDDRIUQUKLJD-JQWIXIFHSA-N 1 0 244.335 0.032 10 0 BCAERO CC(C)N1CC[C@H](NC[C@@H]2CCC[NH2+]C2)C1=O ZINC000569455972 384062023 /nfs/dbraw/zinc/06/20/23/384062023.db2.gz FRBCNMDBRJBVEB-NEPJUHHUSA-N 1 0 239.363 0.585 10 0 BCAERO [NH3+][C@@H]1CCCN(Cc2ccccn2)C1=O ZINC000070061675 384075087 /nfs/dbraw/zinc/07/50/87/384075087.db2.gz FQNUKDRWJZNIRA-SNVBAGLBSA-N 1 0 205.261 0.531 10 0 BCAERO COC[C@]1(C(=O)N[C@H](C)C2CC2)CCC[NH2+]1 ZINC000643621826 384097505 /nfs/dbraw/zinc/09/75/05/384097505.db2.gz ALCYQWFNIUGIGP-SKDRFNHKSA-N 1 0 226.320 0.670 10 0 BCAERO Cn1nnnc1S[C@H]1CCC[C@H]1C[NH3+] ZINC000035722711 384101293 /nfs/dbraw/zinc/10/12/93/384101293.db2.gz NPIZFDOHIVPSRT-BQBZGAKWSA-N 1 0 213.310 0.430 10 0 BCAERO CC(C)[C@@H]([NH3+])C(=O)N1CCOC[C@@H]1C ZINC000035776600 384101697 /nfs/dbraw/zinc/10/16/97/384101697.db2.gz ZXIMBIIQEZNTSF-DTWKUNHWSA-N 1 0 200.282 0.217 10 0 BCAERO CCC1(NC(=O)[C@@H]2C[NH2+]CCOC2)CCC1 ZINC000643705040 384110129 /nfs/dbraw/zinc/11/01/29/384110129.db2.gz HOHPCDSRRLEMMB-SNVBAGLBSA-N 1 0 226.320 0.671 10 0 BCAERO Cc1c(C(=O)CC[NH+](C)C)cnc2ncnn21 ZINC000072416266 384113038 /nfs/dbraw/zinc/11/30/38/384113038.db2.gz VPFCZGWBVLHBBB-UHFFFAOYSA-N 1 0 233.275 0.567 10 0 BCAERO CCC(CC)(CCO)[NH2+]C[C@H]1CNC(=O)O1 ZINC000309480693 384093965 /nfs/dbraw/zinc/09/39/65/384093965.db2.gz SYBSLPVROJNUEO-SECBINFHSA-N 1 0 230.308 0.626 10 0 BCAERO C[C@@H]1CN(C(=O)[C@@H]2C[NH2+]CCOC2)C[C@H]1C ZINC000643705891 384127078 /nfs/dbraw/zinc/12/70/78/384127078.db2.gz DTANBHLGWFGMDX-GMTAPVOTSA-N 1 0 226.320 0.337 10 0 BCAERO CN(C[C@H]1CCC[C@@H]1O)C(=O)[C@H]1CC[NH2+]C1 ZINC000648167043 384150613 /nfs/dbraw/zinc/15/06/13/384150613.db2.gz QFUHHMDYQWAHPI-AXFHLTTASA-N 1 0 226.320 0.215 10 0 BCAERO CN(C[C@H]1CCC[C@@H]1O)C(=O)[C@@H]1CC[NH2+]C1 ZINC000648167048 384150858 /nfs/dbraw/zinc/15/08/58/384150858.db2.gz QFUHHMDYQWAHPI-MXWKQRLJSA-N 1 0 226.320 0.215 10 0 BCAERO C[NH+](C)C[C@H]1CN(C(=O)c2ccccn2)CCO1 ZINC000116796493 384154989 /nfs/dbraw/zinc/15/49/89/384154989.db2.gz DUXVTYUIIDADGE-NSHDSACASA-N 1 0 249.314 0.484 10 0 BCAERO C[NH+](C)C[C@@H]1CN(C(=O)c2cccnc2)CCO1 ZINC000116784523 384155860 /nfs/dbraw/zinc/15/58/60/384155860.db2.gz AZYBZPSOBCJIDZ-GFCCVEGCSA-N 1 0 249.314 0.484 10 0 BCAERO C[C@H]1OCC[C@]1(O)C[NH2+]CC1CCOCC1 ZINC000227968909 134395447 /nfs/dbraw/zinc/39/54/47/134395447.db2.gz DIMGKDBYSCFRCF-PWSUYJOCSA-N 1 0 229.320 0.543 10 0 BCAERO CC(C)[C@H](C)CNC(=O)[C@H]1C[NH2+]CCOC1 ZINC000643710029 384169804 /nfs/dbraw/zinc/16/98/04/384169804.db2.gz RLULIZQCHNBFPT-MNOVXSKESA-N 1 0 228.336 0.631 10 0 BCAERO O=C1NCCC[C@H]1[NH2+]Cc1cccnc1 ZINC000050394024 384201655 /nfs/dbraw/zinc/20/16/55/384201655.db2.gz SMAYCUSURMBUHZ-SNVBAGLBSA-N 1 0 205.261 0.450 10 0 BCAERO O=C1NCCC[C@@H]1NCc1ccccn1 ZINC000050394556 384204976 /nfs/dbraw/zinc/20/49/76/384204976.db2.gz WSBUEXHUUGFETL-JTQLQIEISA-N 1 0 205.261 0.450 10 0 BCAERO CCCCOC[C@H](O)C[N@@H+]1CC[C@@H](CCO)C1 ZINC000227908129 134398669 /nfs/dbraw/zinc/39/86/69/134398669.db2.gz WEDMMTYTTAXFBC-QWHCGFSZSA-N 1 0 245.363 0.868 10 0 BCAERO CCS(=O)(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000081571183 384186526 /nfs/dbraw/zinc/18/65/26/384186526.db2.gz DVMMKGRGHDLIDI-SNVBAGLBSA-N 1 0 236.381 0.902 10 0 BCAERO CCC[C@@](C)([NH3+])C(=O)NC[C@H](O)C(C)C ZINC000163249328 384189885 /nfs/dbraw/zinc/18/98/85/384189885.db2.gz PXFVJMREKVRKSU-GXSJLCMTSA-N 1 0 216.325 0.637 10 0 BCAERO CCCN(C)C(=O)[C@H]1C[NH2+]CCOC1 ZINC000643629479 384191699 /nfs/dbraw/zinc/19/16/99/384191699.db2.gz LRLPHYQTCMZGIR-VIFPVBQESA-N 1 0 200.282 0.091 10 0 BCAERO CC(C)(C)CNC(=O)[C@H]1C[NH2+]CCOC1 ZINC000643630543 384197098 /nfs/dbraw/zinc/19/70/98/384197098.db2.gz RDJDPAZTOWJDAM-VIFPVBQESA-N 1 0 214.309 0.385 10 0 BCAERO COCC[C@H](C)NC(=O)[C@H]1C[NH2+]C[C@@H]1C ZINC000081712590 384198334 /nfs/dbraw/zinc/19/83/34/384198334.db2.gz YLYDXNROPZULJB-GUBZILKMSA-N 1 0 214.309 0.383 10 0 BCAERO COCC[C@H](C)NC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000081712593 384198838 /nfs/dbraw/zinc/19/88/38/384198838.db2.gz YLYDXNROPZULJB-KXUCPTDWSA-N 1 0 214.309 0.383 10 0 BCAERO COC[C@]1(C(=O)NC[C@H]2C[C@H]2C)CCC[NH2+]1 ZINC000643638654 384240910 /nfs/dbraw/zinc/24/09/10/384240910.db2.gz JKFMOXYBSJRNAN-FOGDFJRCSA-N 1 0 226.320 0.527 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCCSCC1 ZINC000082559826 384236204 /nfs/dbraw/zinc/23/62/04/384236204.db2.gz YAEDGAXHXYJZBN-NXEZZACHSA-N 1 0 228.361 0.807 10 0 BCAERO C[C@H]1C[C@H](O)C[N@H+](CCc2cnccn2)C1 ZINC000402900208 384222142 /nfs/dbraw/zinc/22/21/42/384222142.db2.gz HBPFKPHJFBXGOR-JQWIXIFHSA-N 1 0 221.304 0.722 10 0 BCAERO COC[C@@]1(C(=O)NCC(F)(F)F)CCC[NH2+]1 ZINC000643640020 384254006 /nfs/dbraw/zinc/25/40/06/384254006.db2.gz SFFHWLVRBGVPBK-MRVPVSSYSA-N 1 0 240.225 0.434 10 0 BCAERO CC(C)N(CC1CC1)C(=O)[C@H]1C[NH2+]CCOC1 ZINC000643644690 384278324 /nfs/dbraw/zinc/27/83/24/384278324.db2.gz WEVJOJODKMNHQA-LBPRGKRZSA-N 1 0 240.347 0.869 10 0 BCAERO CC[C@H](CSC)NC(=O)[C@@H]1CCC[NH2+]1 ZINC000163311382 384259376 /nfs/dbraw/zinc/25/93/76/384259376.db2.gz NRSLBXZMHAEXHT-BDAKNGLRSA-N 1 0 216.350 0.996 10 0 BCAERO C[C@H]1COC[C@H](C)[NH+]1CCCN1CCOCC1 ZINC000173790172 384259673 /nfs/dbraw/zinc/25/96/73/384259673.db2.gz UNSUICOPPUHCFB-STQMWFEESA-N 1 0 242.363 0.818 10 0 BCAERO COC[C@]1(C(=O)NC2CCC2)CCC[NH2+]1 ZINC000643640423 384261651 /nfs/dbraw/zinc/26/16/51/384261651.db2.gz NYNBQADDNUJXBI-NSHDSACASA-N 1 0 212.293 0.424 10 0 BCAERO CC(C)CN(C(=O)[C@H]1C[NH2+]CCOC1)C1CC1 ZINC000643641770 384268258 /nfs/dbraw/zinc/26/82/58/384268258.db2.gz XJQDHWNQNFTJFM-NSHDSACASA-N 1 0 240.347 0.869 10 0 BCAERO CC[C@H](COC)[NH2+][C@H]1CCC(=O)N[C@@H]1C ZINC000309165309 384270012 /nfs/dbraw/zinc/27/00/12/384270012.db2.gz ISKRINDZAMUWIV-BBBLOLIVSA-N 1 0 214.309 0.668 10 0 BCAERO COC(=O)c1ccccc1NC(=O)C[NH3+] ZINC000011956951 384303940 /nfs/dbraw/zinc/30/39/40/384303940.db2.gz WVSAHEBCUBUGQD-UHFFFAOYSA-N 1 0 208.217 0.370 10 0 BCAERO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1CC(N)=O ZINC000083704327 384321007 /nfs/dbraw/zinc/32/10/07/384321007.db2.gz VPMDLIXHVAPVFE-NXEZZACHSA-N 1 0 211.309 0.030 10 0 BCAERO CC[C@@H]1CCCN(C(=O)[C@H]2C[NH2+]CCOC2)C1 ZINC000643644591 384279296 /nfs/dbraw/zinc/27/92/96/384279296.db2.gz ZHMFIWJUVCGHCG-NEPJUHHUSA-N 1 0 240.347 0.871 10 0 BCAERO COCCC1(C(=O)N[C@H]2C[C@H]2C)CC[NH2+]CC1 ZINC000643644057 384281645 /nfs/dbraw/zinc/28/16/45/384281645.db2.gz COSQVCBOYDOACK-MNOVXSKESA-N 1 0 240.347 0.917 10 0 BCAERO CO[C@@H]1C[C@@H](CO)[N@H+](Cc2c(C)noc2C)C1 ZINC000284751400 384294151 /nfs/dbraw/zinc/29/41/51/384294151.db2.gz YWFZKHIXUWUSRY-WDEREUQCSA-N 1 0 240.303 0.873 10 0 BCAERO CO[C@H]1C[C@@H](CO)[N@H+](CCCCF)C1 ZINC000352376011 384294950 /nfs/dbraw/zinc/29/49/50/384294950.db2.gz IVFPBGQRVKMPJG-UWVGGRQHSA-N 1 0 205.273 0.818 10 0 BCAERO C[NH+](C)CCNC(=O)N[C@@H]1COc2ccccc21 ZINC000133553479 384298723 /nfs/dbraw/zinc/29/87/23/384298723.db2.gz GVSPJWQFURIYHS-LLVKDONJSA-N 1 0 249.314 0.981 10 0 BCAERO CC[C@H](O)CN1CC[NH+](CCSC)CC1 ZINC000174096217 384303139 /nfs/dbraw/zinc/30/31/39/384303139.db2.gz FEGODVMQVHUJMW-NSHDSACASA-N 1 0 232.393 0.738 10 0 BCAERO O=[S@](c1ncc(Cl)cn1)[C@@H]1CCC[NH2+]C1 ZINC000095070010 384335600 /nfs/dbraw/zinc/33/56/00/384335600.db2.gz DAMZERZWJYLMML-ANRSDYALSA-N 1 0 245.735 0.990 10 0 BCAERO CN(c1ncccc1O)C1CC[NH2+]CC1 ZINC000095070649 384336543 /nfs/dbraw/zinc/33/65/43/384336543.db2.gz ICGLQDZDQUMHND-UHFFFAOYSA-N 1 0 207.277 0.975 10 0 BCAERO CN(CC(=O)c1ccc[nH]1)[C@H]1CCC[NH2+]C1 ZINC000095070688 384336809 /nfs/dbraw/zinc/33/68/09/384336809.db2.gz ZSLYNTIQVFRCNR-JTQLQIEISA-N 1 0 221.304 0.881 10 0 BCAERO O=[S@](C[C@@H]1CC[NH2+]C1)c1cc(Cl)ncn1 ZINC000095070439 384336928 /nfs/dbraw/zinc/33/69/28/384336928.db2.gz XKEOOPJNBARLJW-MLXNANBUSA-N 1 0 245.735 0.847 10 0 BCAERO O=[S@@](C[C@H]1CC[NH2+]C1)c1cc(Cl)ncn1 ZINC000095070440 384337394 /nfs/dbraw/zinc/33/73/94/384337394.db2.gz XKEOOPJNBARLJW-NZFNHWASSA-N 1 0 245.735 0.847 10 0 BCAERO CN(CC(=O)c1ccccn1)C1CC[NH2+]CC1 ZINC000095070702 384337519 /nfs/dbraw/zinc/33/75/19/384337519.db2.gz MYONBBQUWVADCS-UHFFFAOYSA-N 1 0 233.315 0.948 10 0 BCAERO CN(CC(=O)c1cnccn1)[C@@H]1CCC[NH2+]C1 ZINC000095070703 384337543 /nfs/dbraw/zinc/33/75/43/384337543.db2.gz DQGJOCLUJDWGMS-SNVBAGLBSA-N 1 0 234.303 0.343 10 0 BCAERO CN(CC(=O)c1cnccn1)C[C@H]1CCCC[NH2+]1 ZINC000095070861 384338858 /nfs/dbraw/zinc/33/88/58/384338858.db2.gz WRWXKYPTDNIQKG-LLVKDONJSA-N 1 0 248.330 0.733 10 0 BCAERO CN(C[C@H]1CCC[NH2+]1)c1ncc(F)cn1 ZINC000095070937 384339574 /nfs/dbraw/zinc/33/95/74/384339574.db2.gz MNZPYDSZWZEISV-SECBINFHSA-N 1 0 210.256 0.804 10 0 BCAERO O=[S@](c1ncc(F)cn1)[C@@H]1CC[NH2+]C1 ZINC000095071988 384340350 /nfs/dbraw/zinc/34/03/50/384340350.db2.gz ZBFCACTXJNXKPG-NXSYQRQQSA-N 1 0 215.253 0.085 10 0 BCAERO CN(CC(=O)c1ccccn1)C[C@@H]1CC[NH2+]C1 ZINC000095071278 384340396 /nfs/dbraw/zinc/34/03/96/384340396.db2.gz AOPFGJONRWMYND-LLVKDONJSA-N 1 0 233.315 0.806 10 0 BCAERO COc1nccnc1CNC1CC[NH2+]CC1 ZINC000095071628 384340413 /nfs/dbraw/zinc/34/04/13/384340413.db2.gz SCZVBPSIKZIZRK-UHFFFAOYSA-N 1 0 222.292 0.327 10 0 BCAERO [NH3+][C@@H]1CCN(c2nc3cccnc3[nH]2)C1 ZINC000095072109 384340506 /nfs/dbraw/zinc/34/05/06/384340506.db2.gz UZBBRNRFPSEDBS-SSDOTTSWSA-N 1 0 203.249 0.495 10 0 BCAERO O=[S@@](C[C@@H]1CCCC[NH2+]1)c1ncc(F)cn1 ZINC000095071998 384341435 /nfs/dbraw/zinc/34/14/35/384341435.db2.gz RGGYSICCBVHGHI-XXFAHNHDSA-N 1 0 243.307 0.865 10 0 BCAERO COc1nccnc1CN(C)[C@H]1CCC[NH2+]C1 ZINC000095071586 384341972 /nfs/dbraw/zinc/34/19/72/384341972.db2.gz FAVDNJMMYVXEDD-JTQLQIEISA-N 1 0 236.319 0.669 10 0 BCAERO CN(CC(=O)c1cnccn1)C[C@H]1CC[NH2+]C1 ZINC000095071281 384341979 /nfs/dbraw/zinc/34/19/79/384341979.db2.gz AMEOMCVZVMTVMX-JTQLQIEISA-N 1 0 234.303 0.201 10 0 BCAERO COc1nccnc1CO[C@@H]1CCC[NH2+]C1 ZINC000095071638 384342035 /nfs/dbraw/zinc/34/20/35/384342035.db2.gz AHPJUNKRQCXOAX-SECBINFHSA-N 1 0 223.276 0.754 10 0 BCAERO [NH3+][C@H]1CCCN(CC(=O)c2ccccn2)C1 ZINC000095072361 384343076 /nfs/dbraw/zinc/34/30/76/384343076.db2.gz ZYHXYLSYVCJHRX-JTQLQIEISA-N 1 0 219.288 0.687 10 0 BCAERO [NH3+][C@H]1CCCN(c2nc3cccnc3[nH]2)C1 ZINC000095072331 384343280 /nfs/dbraw/zinc/34/32/80/384343280.db2.gz JICVVYNRTZBGMB-QMMMGPOBSA-N 1 0 217.276 0.885 10 0 BCAERO [NH3+]C[C@H]1CCN(CC(=O)c2ccccn2)C1 ZINC000095072681 384343944 /nfs/dbraw/zinc/34/39/44/384343944.db2.gz CEJLAEKEZSDQBJ-SNVBAGLBSA-N 1 0 219.288 0.545 10 0 BCAERO O=S(=O)(c1ccccn1)[C@@H]1CCC[NH2+]C1 ZINC000095073051 384344702 /nfs/dbraw/zinc/34/47/02/384344702.db2.gz AOWBISZHMRWXSJ-SECBINFHSA-N 1 0 226.301 0.607 10 0 BCAERO O=C(COC[C@@H]1CC[NH2+]C1)c1nccs1 ZINC000095072903 384344984 /nfs/dbraw/zinc/34/49/84/384344984.db2.gz ZYIMFAAIGAVYSM-MRVPVSSYSA-N 1 0 226.301 0.952 10 0 BCAERO O=S(=O)(c1ccccn1)[C@H]1CCC[NH2+]C1 ZINC000095073052 384345013 /nfs/dbraw/zinc/34/50/13/384345013.db2.gz AOWBISZHMRWXSJ-VIFPVBQESA-N 1 0 226.301 0.607 10 0 BCAERO O=C(COC[C@H]1CCC[NH2+]1)c1ccc[nH]1 ZINC000095072870 384345059 /nfs/dbraw/zinc/34/50/59/384345059.db2.gz KSCYPAHEQHJSPR-SECBINFHSA-N 1 0 208.261 0.966 10 0 BCAERO O=C(CNC[C@H]1CCC[NH2+]1)c1nccs1 ZINC000095072790 384345203 /nfs/dbraw/zinc/34/52/03/384345203.db2.gz RANAKIFUGNVRNO-MRVPVSSYSA-N 1 0 225.317 0.667 10 0 BCAERO O=C(CN[C@@H]1CCC[NH2+]C1)c1ccccn1 ZINC000095072737 384345280 /nfs/dbraw/zinc/34/52/80/384345280.db2.gz KFRXHXIOOKPYDG-SNVBAGLBSA-N 1 0 219.288 0.606 10 0 BCAERO [NH3+]C[C@@H]1CCN(Cc2ccc(Cl)nn2)C1 ZINC000095072721 384345439 /nfs/dbraw/zinc/34/54/39/384345439.db2.gz FMJAZYULBKPQBL-QMMMGPOBSA-N 1 0 226.711 0.911 10 0 BCAERO O=S(=O)(Cc1ccncc1)C1CC[NH2+]CC1 ZINC000095073118 384345498 /nfs/dbraw/zinc/34/54/98/384345498.db2.gz CLMBOMWBUWWJGR-UHFFFAOYSA-N 1 0 240.328 0.748 10 0 BCAERO O=C(COC[C@@H]1CC[NH2+]C1)c1cnccn1 ZINC000095072901 384346354 /nfs/dbraw/zinc/34/63/54/384346354.db2.gz HJIRVPJQLLMJOR-SECBINFHSA-N 1 0 221.260 0.285 10 0 BCAERO O=C(CN[C@H]1CCC[NH2+]C1)c1ccccn1 ZINC000095072749 384346404 /nfs/dbraw/zinc/34/64/04/384346404.db2.gz KFRXHXIOOKPYDG-JTQLQIEISA-N 1 0 219.288 0.606 10 0 BCAERO O=C(COC[C@@H]1CCC[NH2+]1)c1cnccn1 ZINC000095072877 384346426 /nfs/dbraw/zinc/34/64/26/384346426.db2.gz DJCKKEADTXMEKS-VIFPVBQESA-N 1 0 221.260 0.428 10 0 BCAERO O=S(=O)(C[C@H]1CC[NH2+]C1)c1nccs1 ZINC000095073242 384347142 /nfs/dbraw/zinc/34/71/42/384347142.db2.gz MSUQQKTYGIBIBD-ZETCQYMHSA-N 1 0 232.330 0.526 10 0 BCAERO O=[S@](Cc1ccncc1)[C@@H]1CC[NH2+]C1 ZINC000095073444 384347263 /nfs/dbraw/zinc/34/72/63/384347263.db2.gz DLVGQBOIJZCMOM-YGRLFVJLSA-N 1 0 210.302 0.692 10 0 BCAERO Cc1cc(C(=O)N2CCC[C@H]2C[NH3+])nn1C ZINC000237697248 384347563 /nfs/dbraw/zinc/34/75/63/384347563.db2.gz WXAVRMPMHZTISD-VIFPVBQESA-N 1 0 222.292 0.292 10 0 BCAERO O=S(=O)(C[C@H]1CCC[NH2+]C1)c1ccncc1 ZINC000095073204 384347891 /nfs/dbraw/zinc/34/78/91/384347891.db2.gz MLWQCIBJUFJFHV-JTQLQIEISA-N 1 0 240.328 0.855 10 0 BCAERO O=[S@@](c1ncccn1)[C@H]1CCC[NH2+]C1 ZINC000095073389 384347931 /nfs/dbraw/zinc/34/79/31/384347931.db2.gz JBXDAHZPRGFCJE-RTHLEPHNSA-N 1 0 211.290 0.336 10 0 BCAERO O=S(=O)(C[C@@H]1CCC[NH2+]C1)c1ccncc1 ZINC000095073203 384347980 /nfs/dbraw/zinc/34/79/80/384347980.db2.gz MLWQCIBJUFJFHV-SNVBAGLBSA-N 1 0 240.328 0.855 10 0 BCAERO O=[S@](Cc1cccnc1)[C@@H]1CC[NH2+]C1 ZINC000095073434 384348604 /nfs/dbraw/zinc/34/86/04/384348604.db2.gz XBNXMHPDKSCNSO-YGRLFVJLSA-N 1 0 210.302 0.692 10 0 BCAERO O=S(=O)(C[C@H]1CCC[NH2+]1)c1nccs1 ZINC000095073182 384348856 /nfs/dbraw/zinc/34/88/56/384348856.db2.gz GRJIBOJWLHYOSJ-SSDOTTSWSA-N 1 0 232.330 0.669 10 0 BCAERO C[C@H]1CN(C(=O)C2([NH3+])CCOCC2)CCS1 ZINC000159668003 384348906 /nfs/dbraw/zinc/34/89/06/384348906.db2.gz DIXFVWCPCYQXSW-VIFPVBQESA-N 1 0 244.360 0.458 10 0 BCAERO O=[S@@](C[C@H]1CC[NH2+]C1)c1nccs1 ZINC000095073674 384349760 /nfs/dbraw/zinc/34/97/60/384349760.db2.gz PYXZMJGZJPWIGX-WPPNPWJKSA-N 1 0 216.331 0.860 10 0 BCAERO CNS(=O)(=O)Cc1nccn1C1CC1 ZINC000095076102 384349832 /nfs/dbraw/zinc/34/98/32/384349832.db2.gz CSHBIWHHSBRXBB-UHFFFAOYSA-N 1 0 215.278 0.267 10 0 BCAERO O=[S@](C[C@@H]1CC[NH2+]C1)c1ccccn1 ZINC000095073653 384351247 /nfs/dbraw/zinc/35/12/47/384351247.db2.gz WLUGWJLSLWZSMJ-OTYXRUKQSA-N 1 0 210.302 0.799 10 0 BCAERO O=[S@](C[C@@H]1CC[NH2+]C1)c1nccs1 ZINC000095073673 384351367 /nfs/dbraw/zinc/35/13/67/384351367.db2.gz PYXZMJGZJPWIGX-UHLUBPPHSA-N 1 0 216.331 0.860 10 0 BCAERO O=[S@@](Cc1ccncc1)C[C@@H]1CC[NH2+]C1 ZINC000095073697 384351535 /nfs/dbraw/zinc/35/15/35/384351535.db2.gz WHAMVBYWPCAHBH-IAQYHMDHSA-N 1 0 224.329 0.940 10 0 BCAERO C[C@H]1C[C@H](O)C[N@H+](CC(=O)N(C)C2CC2)C1 ZINC000335586886 384352809 /nfs/dbraw/zinc/35/28/09/384352809.db2.gz VUOJTNLMEJINKS-ONGXEEELSA-N 1 0 226.320 0.310 10 0 BCAERO N[C@H]1CN(C(=O)OCc2ccccc2)CC[C@@H]1[NH3+] ZINC000095077208 384353196 /nfs/dbraw/zinc/35/31/96/384353196.db2.gz SRYYLAJFLRDCRK-RYUDHWBXSA-N 1 0 249.314 0.684 10 0 BCAERO [NH3+][C@@H](CCO)[C@H]1COc2ccccc2O1 ZINC000095077253 384353369 /nfs/dbraw/zinc/35/33/69/384353369.db2.gz VZJKSASHNVIFNI-GZMMTYOYSA-N 1 0 209.245 0.536 10 0 BCAERO [NH3+][C@H](CCO)[C@@H]1COc2ccccc2O1 ZINC000095077252 384353603 /nfs/dbraw/zinc/35/36/03/384353603.db2.gz VZJKSASHNVIFNI-KCJUWKMLSA-N 1 0 209.245 0.536 10 0 BCAERO C[C@@H]1[C@@H](O)CCC[N@@H+]1CC(=O)NC1CCCC1 ZINC000335597233 384362469 /nfs/dbraw/zinc/36/24/69/384362469.db2.gz QTKHZAPZNSKHBW-PWSUYJOCSA-N 1 0 240.347 0.890 10 0 BCAERO COC[C@]1(C(=O)N2CC[C@@H](C)C2)CCC[NH2+]1 ZINC000643657430 384368978 /nfs/dbraw/zinc/36/89/78/384368978.db2.gz RHXUEGKHJUJUCU-PWSUYJOCSA-N 1 0 226.320 0.623 10 0 BCAERO COC[C@]1(C(=O)N(C)CC2CC2)CCC[NH2+]1 ZINC000643648878 384324202 /nfs/dbraw/zinc/32/42/02/384324202.db2.gz ZHHGBXIFAMMBAB-LBPRGKRZSA-N 1 0 226.320 0.623 10 0 BCAERO Cc1ccc(S(=O)(=O)N[C@@H]2CC[NH2+]C2)nc1 ZINC000095069019 384331677 /nfs/dbraw/zinc/33/16/77/384331677.db2.gz DEOJMFGMWFIYCA-SECBINFHSA-N 1 0 241.316 0.030 10 0 BCAERO Cc1cc(C)nc([S@@](=O)C[C@@H]2CC[NH2+]C2)n1 ZINC000095068892 384332045 /nfs/dbraw/zinc/33/20/45/384332045.db2.gz WHRDKKZIUHUKCV-QLJPJBMISA-N 1 0 239.344 0.811 10 0 BCAERO Cc1cc(C)nc([S@](=O)C[C@H]2CCC[NH2+]2)n1 ZINC000095068887 384332082 /nfs/dbraw/zinc/33/20/82/384332082.db2.gz CFQRMPHATQKNOT-HWPZZCPQSA-N 1 0 239.344 0.953 10 0 BCAERO Cc1ccnc(S(=O)(=O)C[C@H]2CC[NH2+]C2)n1 ZINC000095069245 384332160 /nfs/dbraw/zinc/33/21/60/384332160.db2.gz CXXWTZRGILTKHH-VIFPVBQESA-N 1 0 241.316 0.168 10 0 BCAERO Cc1ccnc(S(=O)(=O)C2CC[NH2+]CC2)n1 ZINC000095069237 384332285 /nfs/dbraw/zinc/33/22/85/384332285.db2.gz HKHDGGLSPLIACV-UHFFFAOYSA-N 1 0 241.316 0.311 10 0 BCAERO Cc1ccnc([S@](=O)C[C@H]2CCC[NH2+]C2)n1 ZINC000095069291 384332682 /nfs/dbraw/zinc/33/26/82/384332682.db2.gz ROBLJZRAZYVLGT-QFYYESIMSA-N 1 0 239.344 0.892 10 0 BCAERO O=[S@](C[C@@H]1CCC[NH2+]1)c1ccc(Cl)nn1 ZINC000095069957 384333744 /nfs/dbraw/zinc/33/37/44/384333744.db2.gz FWARZWVNYAILDN-ZIDLFYJRSA-N 1 0 245.735 0.990 10 0 BCAERO Clc1nccc(CN2CC[NH2+]CC2)n1 ZINC000095070135 384333960 /nfs/dbraw/zinc/33/39/60/384333960.db2.gz OAOHDPMQQSYZKV-UHFFFAOYSA-N 1 0 212.684 0.535 10 0 BCAERO O=[S@](c1ncc(Cl)cn1)[C@H]1CCC[NH2+]C1 ZINC000095070012 384334031 /nfs/dbraw/zinc/33/40/31/384334031.db2.gz DAMZERZWJYLMML-VXJOIVPMSA-N 1 0 245.735 0.990 10 0 BCAERO CC(C)[C@H](CO)C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000394045264 384394176 /nfs/dbraw/zinc/39/41/76/384394176.db2.gz LZTALUAWGVXKBZ-RYUDHWBXSA-N 1 0 214.353 0.983 10 0 BCAERO Cc1cc(CN2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)nn1C ZINC000647512573 384409188 /nfs/dbraw/zinc/40/91/88/384409188.db2.gz CALWRMXKAANQGB-WCFLWFBJSA-N 1 0 234.347 0.898 10 0 BCAERO CCOCC[NH2+]Cc1c(C)nn(C)c1OC ZINC000135055053 384410052 /nfs/dbraw/zinc/41/00/52/384410052.db2.gz BKMWYTBQEYAMNK-UHFFFAOYSA-N 1 0 227.308 0.863 10 0 BCAERO CC(C)(C)OC(=O)[C@]1(CO)CCC[C@H]1[NH3+] ZINC000095934692 384413002 /nfs/dbraw/zinc/41/30/02/384413002.db2.gz XDJLQDPMPAXPCD-KCJUWKMLSA-N 1 0 215.293 0.818 10 0 BCAERO Cn1cccc1C[NH2+][C@H]1CCCNC1=O ZINC000050596354 384383977 /nfs/dbraw/zinc/38/39/77/384383977.db2.gz JDUKXUUMWNCFII-JTQLQIEISA-N 1 0 207.277 0.393 10 0 BCAERO C[C@@H]1[NH2+]CCC[C@@H]1Nc1ccnc(C(N)=O)c1 ZINC000229599471 384385067 /nfs/dbraw/zinc/38/50/67/384385067.db2.gz AQRBGKKWKGCXBO-WPRPVWTQSA-N 1 0 234.303 0.733 10 0 BCAERO COC(=O)c1cccc2c1OC[C@@H]([NH3+])C2 ZINC000016083012 384449595 /nfs/dbraw/zinc/44/95/95/384449595.db2.gz URDHIEIMMKNXPA-QMMMGPOBSA-N 1 0 207.229 0.735 10 0 BCAERO [NH3+][C@@H]1CC[C@@H](C(=O)Nc2ccnc3ccnn32)C1 ZINC000237946477 384438764 /nfs/dbraw/zinc/43/87/64/384438764.db2.gz GYAJDQRXKYNOJE-RKDXNWHRSA-N 1 0 245.286 0.795 10 0 BCAERO COCC[NH2+]CCNc1nccc(C)n1 ZINC000215524377 384464235 /nfs/dbraw/zinc/46/42/35/384464235.db2.gz KIDVTCORRFMESI-UHFFFAOYSA-N 1 0 210.281 0.433 10 0 BCAERO O=C(Nc1ccc2c(c1)C[NH2+]C2)[C@@H]1CNC(=O)C1 ZINC000335662023 384468443 /nfs/dbraw/zinc/46/84/43/384468443.db2.gz BKVPYWHTPGASJJ-JTQLQIEISA-N 1 0 245.282 0.364 10 0 BCAERO CCO[C@@H]1O[C@H](C)C[C@@H]([NH+](C)C)[C@@H]1O ZINC000014772625 384473666 /nfs/dbraw/zinc/47/36/66/384473666.db2.gz FOEFSWUYRBQJSY-DOLQZWNJSA-N 1 0 203.282 0.449 10 0 BCAERO C[C@H]1OCC[C@H]1[NH2+]Cc1cnc(N(C)C)n1C ZINC000149476586 384477838 /nfs/dbraw/zinc/47/78/38/384477838.db2.gz FPVAKKODADSAIF-MWLCHTKSSA-N 1 0 238.335 0.753 10 0 BCAERO C[C@H](C[NH2+]Cc1cccn1C)N1CCOCC1 ZINC000161584217 384505829 /nfs/dbraw/zinc/50/58/29/384505829.db2.gz ODKZJUHMVOMWTJ-GFCCVEGCSA-N 1 0 237.347 0.835 10 0 BCAERO Cn1cncc1[C@@H]1[C@H](C[NH3+])CCCN1C ZINC000085168893 384506992 /nfs/dbraw/zinc/50/69/92/384506992.db2.gz BNYHESMNDBMAIR-ONGXEEELSA-N 1 0 208.309 0.762 10 0 BCAERO CCCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](CCO)C1 ZINC000161591226 384507529 /nfs/dbraw/zinc/50/75/29/384507529.db2.gz ZFHPTXDPOGIQGS-GHMZBOCLSA-N 1 0 228.336 0.605 10 0 BCAERO Cn1cncc1[C@@H]1[C@H]([NH3+])CCC(=O)N1C ZINC000085169011 384508045 /nfs/dbraw/zinc/50/80/45/384508045.db2.gz DEXKKGSSFWGLCX-XCBNKYQSSA-N 1 0 208.265 0.041 10 0 BCAERO CCN(C)C(=O)[C@@]1(COC)CCC[NH2+]1 ZINC000643673839 384535445 /nfs/dbraw/zinc/53/54/45/384535445.db2.gz CHJNHCDUXIQFBK-JTQLQIEISA-N 1 0 200.282 0.233 10 0 BCAERO CCCOCC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170854763 384522951 /nfs/dbraw/zinc/52/29/51/384522951.db2.gz ULNCIVXXBBXLFI-JTQLQIEISA-N 1 0 214.309 0.576 10 0 BCAERO COc1cc(N2CCC[C@H]2C[NH3+])ncn1 ZINC000085481615 384527790 /nfs/dbraw/zinc/52/77/90/384527790.db2.gz VGVVVIMZOWBRAI-QMMMGPOBSA-N 1 0 208.265 0.413 10 0 BCAERO [NH3+][C@H]1CCC[C@H](C(=O)NCC(F)F)C1 ZINC000149211549 384546494 /nfs/dbraw/zinc/54/64/94/384546494.db2.gz BINMJWJGYRUKOI-BQBZGAKWSA-N 1 0 206.236 0.885 10 0 BCAERO Cc1nc(CN2C[C@H](O)C[C@@H]2CO)cs1 ZINC000184010122 384550420 /nfs/dbraw/zinc/55/04/20/384550420.db2.gz CYFMUPMCSWQMTR-NXEZZACHSA-N 1 0 228.317 0.379 10 0 BCAERO OCC[C@H]1CC[N@H+](CCOC[C@@H]2CCCO2)C1 ZINC000525638546 384561966 /nfs/dbraw/zinc/56/19/66/384561966.db2.gz QNWXGAOYEZGNTG-OLZOCXBDSA-N 1 0 243.347 0.886 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N1CCC[C@@H](CC(N)=O)C1 ZINC000236802397 384573122 /nfs/dbraw/zinc/57/31/22/384573122.db2.gz DDCIEWLXXWWDAL-UWVGGRQHSA-N 1 0 241.335 0.228 10 0 BCAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]CC[C@@H]1CCCO1 ZINC000309798212 384610733 /nfs/dbraw/zinc/61/07/33/384610733.db2.gz QQRPTOPJJAJYKK-GARJFASQSA-N 1 0 226.320 0.812 10 0 BCAERO O=C(N[C@@H]1CC[C@@H]2C[C@@H]2C1)[C@@H]1CC[NH2+]C1 ZINC000403297019 384623646 /nfs/dbraw/zinc/62/36/46/384623646.db2.gz QKZKPJBMUWYSEZ-GWOFURMSSA-N 1 0 208.305 0.901 10 0 BCAERO [NH3+]Cc1ccncc1OC[C@H]1CCOC1 ZINC000162468484 384626630 /nfs/dbraw/zinc/62/66/30/384626630.db2.gz TVUFSWBUMSFUGE-VIFPVBQESA-N 1 0 208.261 0.956 10 0 BCAERO C[C@H]([NH3+])C(=O)N1CC[C@@]2(CC[C@@H](CO)C2)C1 ZINC000100248059 384627264 /nfs/dbraw/zinc/62/72/64/384627264.db2.gz BXHQOVKMJVASON-HOSYDEDBSA-N 1 0 226.320 0.345 10 0 BCAERO C[C@@H]([NH3+])C(=O)N1CC[C@]2(CC[C@@H](CO)C2)C1 ZINC000100248061 384628022 /nfs/dbraw/zinc/62/80/22/384628022.db2.gz BXHQOVKMJVASON-FOGDFJRCSA-N 1 0 226.320 0.345 10 0 BCAERO CC[NH+](CC)CCNC(=O)[C@@H](C)COC ZINC000103519952 384629543 /nfs/dbraw/zinc/62/95/43/384629543.db2.gz XXWNAAOTEOUFCH-JTQLQIEISA-N 1 0 216.325 0.727 10 0 BCAERO COc1nccnc1C[NH2+][C@H]1CC[C@H](O)CC1 ZINC000100277299 384630376 /nfs/dbraw/zinc/63/03/76/384630376.db2.gz ZKWYODDQXTVBIU-AOOOYVTPSA-N 1 0 237.303 0.878 10 0 BCAERO CN(Cc1nccc(N)n1)[C@H]1CCC[NH2+]CC1 ZINC000098095581 384592404 /nfs/dbraw/zinc/59/24/04/384592404.db2.gz HXADBBKRIOFCAZ-JTQLQIEISA-N 1 0 235.335 0.633 10 0 BCAERO C[C@H](C[NH2+]C[C@H]1CCCC[C@H]1O)S(C)(=O)=O ZINC000647527938 384594902 /nfs/dbraw/zinc/59/49/02/384594902.db2.gz ZGAIGWJYOFFKLJ-GMTAPVOTSA-N 1 0 249.376 0.560 10 0 BCAERO CC1(C)CCN(C(=O)[C@@H]2C[NH2+]CCOC2)CC1 ZINC000643676298 384597767 /nfs/dbraw/zinc/59/77/67/384597767.db2.gz LIJFNUWWWPTVEX-LLVKDONJSA-N 1 0 240.347 0.871 10 0 BCAERO CCNC(=O)CC[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000047943743 384667673 /nfs/dbraw/zinc/66/76/73/384667673.db2.gz INBWHJLLWHIJQK-ZJUUUORDSA-N 1 0 214.309 0.670 10 0 BCAERO CCNC(=O)CC[NH2+][C@H](C)[C@H]1CCCO1 ZINC000047943747 384669751 /nfs/dbraw/zinc/66/97/51/384669751.db2.gz INBWHJLLWHIJQK-NXEZZACHSA-N 1 0 214.309 0.670 10 0 BCAERO OC[C@H]1C[C@@H](O)C[N@@H+]1CCc1ccncc1 ZINC000184737280 384642792 /nfs/dbraw/zinc/64/27/92/384642792.db2.gz ZJULRLOFAFDKIM-VXGBXAGGSA-N 1 0 222.288 0.052 10 0 BCAERO COc1ccccc1[C@]1(CO)CC[NH2+]C1 ZINC000259231375 384646846 /nfs/dbraw/zinc/64/68/46/384646846.db2.gz DHAVDJJCTMBLIL-GFCCVEGCSA-N 1 0 207.273 0.919 10 0 BCAERO Cc1cc(C(=O)N[C@@H]2CC[C@H]([NH+](C)C)C2)cnn1 ZINC000337153395 384656776 /nfs/dbraw/zinc/65/67/76/384656776.db2.gz NHAKHQCACUWPSX-NEPJUHHUSA-N 1 0 248.330 0.998 10 0 BCAERO C[NH+](C)[C@@H]1CC[C@@H](NC(=O)c2nnc[nH]2)C1 ZINC000337157489 384658299 /nfs/dbraw/zinc/65/82/99/384658299.db2.gz QJSJLRUAFWPENW-HTQZYQBOSA-N 1 0 223.280 0.017 10 0 BCAERO Cn1nncc1C(=O)N[C@@H]1CC[C@H]([NH+](C)C)C1 ZINC000337155781 384660139 /nfs/dbraw/zinc/66/01/39/384660139.db2.gz PCHLDHBMVWVMRJ-BDAKNGLRSA-N 1 0 237.307 0.028 10 0 BCAERO Cc1cnc(N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)nc1 ZINC000301826965 384677979 /nfs/dbraw/zinc/67/79/79/384677979.db2.gz FLRSHCFZKIGMQW-QWRGUYRKSA-N 1 0 234.303 0.304 10 0 BCAERO O=C1CCCN1CC[N@H+]1CCC[C@H]1CCCO ZINC000104956642 384726449 /nfs/dbraw/zinc/72/64/49/384726449.db2.gz ZTUHCBXKTLJPJW-LBPRGKRZSA-N 1 0 240.347 0.846 10 0 BCAERO CC(C)CC[NH2+]C[C@H]1CN(C)CCO1 ZINC000082463114 384687240 /nfs/dbraw/zinc/68/72/40/384687240.db2.gz GUQXBOFHTBXHGR-NSHDSACASA-N 1 0 200.326 0.953 10 0 BCAERO C[NH+](C)C[C@H]1CN(C(=O)CC2CCC2)CCO1 ZINC000173521917 384688470 /nfs/dbraw/zinc/68/84/70/384688470.db2.gz ODTCGEKXZFFGPH-LBPRGKRZSA-N 1 0 240.347 0.966 10 0 BCAERO [NH3+]C[C@@H]1CCCN1C(=O)c1cnccn1 ZINC000082640069 384698742 /nfs/dbraw/zinc/69/87/42/384698742.db2.gz PNADRNZKAMXSKT-QMMMGPOBSA-N 1 0 206.249 0.040 10 0 BCAERO CSCCC[NH2+][C@H]1CCC(=O)N[C@H]1C ZINC000336667293 384772945 /nfs/dbraw/zinc/77/29/45/384772945.db2.gz WDPPWWIDQICTFL-IUCAKERBSA-N 1 0 216.350 0.996 10 0 BCAERO Cn1cc(NC(=O)C[C@H]2CCC[NH2+]C2)cn1 ZINC000054306092 384733939 /nfs/dbraw/zinc/73/39/39/384733939.db2.gz FUMYFMYUEUKLBF-SECBINFHSA-N 1 0 222.292 0.748 10 0 BCAERO [NH3+]Cc1ccccc1S(=O)(=O)N1CCCC1 ZINC000022172991 384741038 /nfs/dbraw/zinc/74/10/38/384741038.db2.gz SWUNPFIXEBUMQA-UHFFFAOYSA-N 1 0 240.328 0.930 10 0 BCAERO C[C@H]1C[C@H](O)C[N@H+](CC(=O)N2CCCC2)C1 ZINC000334825985 384741601 /nfs/dbraw/zinc/74/16/01/384741601.db2.gz IBBDBUIUJRMZLK-QWRGUYRKSA-N 1 0 226.320 0.312 10 0 BCAERO c1ccc2c(CN3CC[NH2+]CC3)n[nH]c2c1 ZINC000052860976 384750729 /nfs/dbraw/zinc/75/07/29/384750729.db2.gz HYNJYYZAQMKHLA-UHFFFAOYSA-N 1 0 216.288 0.968 10 0 BCAERO COC(=O)[C@H](C)N1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000601325662 384753084 /nfs/dbraw/zinc/75/30/84/384753084.db2.gz FDNMYSUQXVVNIC-CIUDSAMLSA-N 1 0 200.282 0.075 10 0 BCAERO Cc1nn(C)cc1C[NH2+]C[C@@H]1CN(C)CCO1 ZINC000126028505 384766293 /nfs/dbraw/zinc/76/62/93/384766293.db2.gz HKKNFGQDJHKOSD-GFCCVEGCSA-N 1 0 238.335 0.149 10 0 BCAERO C[NH2+][C@H](C)C(=O)NCCc1cccc(OC)c1 ZINC000082248314 384769067 /nfs/dbraw/zinc/76/90/67/384769067.db2.gz NRNJEXTVHLSKMS-SNVBAGLBSA-N 1 0 236.315 0.962 10 0 BCAERO C[NH2+][C@@H]1CCCN(Cc2cnccn2)C1 ZINC000053204208 384771718 /nfs/dbraw/zinc/77/17/18/384771718.db2.gz QFMAAQBHJLXOTH-SNVBAGLBSA-N 1 0 206.293 0.660 10 0 BCAERO CC1(C(=O)NC[C@H]2CCCC[C@H]2O)C[NH2+]C1 ZINC000335017958 384772943 /nfs/dbraw/zinc/77/29/43/384772943.db2.gz CYPQMSQYRFPHPB-NXEZZACHSA-N 1 0 226.320 0.263 10 0 BCAERO C[NH+](C)C[C@@H]1CN(C[C@@H]2CCCO2)CCO1 ZINC000105925715 384818257 /nfs/dbraw/zinc/81/82/57/384818257.db2.gz DWIJGSAYIZXVFY-NWDGAFQWSA-N 1 0 228.336 0.428 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N[C@@H]1CCN(C(C)C)C1=O ZINC000236913309 384822365 /nfs/dbraw/zinc/82/23/65/384822365.db2.gz MTJAKFOHRDZBCZ-VHSXEESVSA-N 1 0 241.335 0.239 10 0 BCAERO CC1(CNC(=O)[C@@H]2C[NH2+]CCOC2)CCCC1 ZINC000643688627 384825123 /nfs/dbraw/zinc/82/51/23/384825123.db2.gz FBNITJIFIZOVTK-LLVKDONJSA-N 1 0 240.347 0.919 10 0 BCAERO CC(C)(C)OC(=O)N1CCC[C@]([NH3+])(CO)C1 ZINC000083327731 384827705 /nfs/dbraw/zinc/82/77/05/384827705.db2.gz YWAHTVBAPQTWIP-LLVKDONJSA-N 1 0 230.308 0.707 10 0 BCAERO CC(C)(O)C[NH2+]C1CCC(C(N)=O)CC1 ZINC000038091881 384792970 /nfs/dbraw/zinc/79/29/70/384792970.db2.gz GUCGXTJZRGWKMA-UHFFFAOYSA-N 1 0 214.309 0.391 10 0 BCAERO CN(CCc1ccccc1)[C@H]1C[NH2+]C[C@@H]1O ZINC000083852732 384804358 /nfs/dbraw/zinc/80/43/58/384804358.db2.gz MPYUNWVCOCAQNE-STQMWFEESA-N 1 0 220.316 0.494 10 0 BCAERO COc1cc(F)c([C@H]([NH3+])CO)cc1OC ZINC000072198252 384811736 /nfs/dbraw/zinc/81/17/36/384811736.db2.gz BIRWTULNOJQBAM-MRVPVSSYSA-N 1 0 215.224 0.835 10 0 BCAERO CO[C@@H]1C[C@H](CO)[N@H+](CCCSC)C1 ZINC000308569098 384812177 /nfs/dbraw/zinc/81/21/77/384812177.db2.gz JGHGZFASEJJGMY-NXEZZACHSA-N 1 0 219.350 0.821 10 0 BCAERO C[C@@H](CO)NC(=O)[C@@]1(C)CCC[C@@H]1[NH3+] ZINC000134929902 384839249 /nfs/dbraw/zinc/83/92/49/384839249.db2.gz JPNVGIMDGZGNSX-NRPADANISA-N 1 0 200.282 0.001 10 0 BCAERO [NH3+]CCc1nc(-c2cccc(O)c2)n[nH]1 ZINC000072236540 384841642 /nfs/dbraw/zinc/84/16/42/384841642.db2.gz BUWSKOVRQIAHCK-UHFFFAOYSA-N 1 0 204.233 0.679 10 0 BCAERO [NH3+]Cc1nc(CNc2ccccc2)n[nH]1 ZINC000072236509 384843101 /nfs/dbraw/zinc/84/31/01/384843101.db2.gz KNCPOWDAROWUIV-UHFFFAOYSA-N 1 0 203.249 0.876 10 0 BCAERO CC(C)(C)c1nnc(CN2CC[NH2+]CC2)[nH]1 ZINC000072236823 384844453 /nfs/dbraw/zinc/84/44/53/384844453.db2.gz WJFRMEJXRZWFSA-UHFFFAOYSA-N 1 0 223.324 0.507 10 0 BCAERO COC[C@H]([NH2+]C[C@H]1CNC(=O)O1)C1CC1 ZINC000308917744 533092855 /nfs/dbraw/zinc/09/28/55/533092855.db2.gz GJGSKEOCKQCBRU-IUCAKERBSA-N 1 0 214.265 0.109 10 0 BCAERO CCC[C@@H](O)CNC(=O)[C@]1(COC)CCC[NH2+]1 ZINC000643691270 384850337 /nfs/dbraw/zinc/85/03/37/384850337.db2.gz XHOKOOORQDHPOP-ZYHUDNBSSA-N 1 0 244.335 0.032 10 0 BCAERO Nc1nnc(S[C@@H]2CCC[NH2+]C2)s1 ZINC000043501724 384864657 /nfs/dbraw/zinc/86/46/57/384864657.db2.gz AECKDTNGKUTROP-RXMQYKEDSA-N 1 0 216.335 0.964 10 0 BCAERO C([C@H]1CCCCO1)N1CC[C@H]2OCC[NH2+][C@H]2C1 ZINC000404197686 384957982 /nfs/dbraw/zinc/95/79/82/384957982.db2.gz NYUGVUOUZCLARN-FRRDWIJNSA-N 1 0 240.347 0.618 10 0 BCAERO Cn1ccnc1CN1CCO[C@@H](C[NH+](C)C)C1 ZINC000105924476 384890556 /nfs/dbraw/zinc/89/05/56/384890556.db2.gz JLHCAIWJGQKRJN-NSHDSACASA-N 1 0 238.335 0.183 10 0 BCAERO CO[C@@H]1C[C@H](CO)[N@H+](CCC(C)(C)OC)C1 ZINC000309285676 384892534 /nfs/dbraw/zinc/89/25/34/384892534.db2.gz OOZMBZLIAGZUMP-GHMZBOCLSA-N 1 0 231.336 0.883 10 0 BCAERO CC[C@@](C)(O)C[N@H+](C)C[C@@H]1CCN(C(C)=O)C1 ZINC000162065315 384899627 /nfs/dbraw/zinc/89/96/27/384899627.db2.gz HRRRHVMYSIRTKZ-QWHCGFSZSA-N 1 0 242.363 0.948 10 0 BCAERO CCNC(=O)CN(C)C[C@H]1CCC[N@@H+]1CC ZINC000175353471 384899798 /nfs/dbraw/zinc/89/97/98/384899798.db2.gz ORZWUEVDDLQHSM-LLVKDONJSA-N 1 0 227.352 0.539 10 0 BCAERO CC(C)NC(=O)N1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC000404115739 384900593 /nfs/dbraw/zinc/90/05/93/384900593.db2.gz CCHYUFAVVIOSJY-UWVGGRQHSA-N 1 0 227.308 0.167 10 0 BCAERO CC[C@H]([NH3+])[C@H](N)C(=O)OCc1ccccc1 ZINC000149007513 384913455 /nfs/dbraw/zinc/91/34/55/384913455.db2.gz QJJOBYUZKUUIBS-QWRGUYRKSA-N 1 0 222.288 0.794 10 0 BCAERO c1ccc(N2CC(N3CC[NH2+]CC3)C2)nc1 ZINC000085280187 384934231 /nfs/dbraw/zinc/93/42/31/384934231.db2.gz YMDFRSWYQJZELH-UHFFFAOYSA-N 1 0 218.304 0.175 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N1CCC(C(=O)OC)CC1 ZINC000226294284 384965220 /nfs/dbraw/zinc/96/52/20/384965220.db2.gz WJOWNEQBEPTNOV-JTQLQIEISA-N 1 0 242.319 0.525 10 0 BCAERO [NH3+][C@@H]1CC[C@@H](C(=O)NCCOCC2CC2)C1 ZINC000226325911 384978997 /nfs/dbraw/zinc/97/89/97/384978997.db2.gz WDHGPMUEGXLGOS-GHMZBOCLSA-N 1 0 226.320 0.657 10 0 BCAERO [NH3+][C@@H]1CC[C@H](C(=O)NCc2cccc(CO)c2)C1 ZINC000226335233 384983136 /nfs/dbraw/zinc/98/31/36/384983136.db2.gz GXOCZFYAPNCCBU-QWHCGFSZSA-N 1 0 248.326 0.923 10 0 BCAERO Cc1nccc(C[C@H]2C[NH2+]CCOC2)n1 ZINC000072344490 384984491 /nfs/dbraw/zinc/98/44/91/384984491.db2.gz GAEFQUVZDQOPCB-JTQLQIEISA-N 1 0 207.277 0.564 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)NC[C@H]([NH3+])C2CC2)O1 ZINC000088143154 384987082 /nfs/dbraw/zinc/98/70/82/384987082.db2.gz SBSJUYPKLWXALD-FKTZTGRPSA-N 1 0 212.293 0.407 10 0 BCAERO OCCN1CCC[C@@H]([NH2+]Cc2ccns2)C1 ZINC000404433786 384995073 /nfs/dbraw/zinc/99/50/73/384995073.db2.gz PCZPNTZUFUITEH-SNVBAGLBSA-N 1 0 241.360 0.689 10 0 BCAERO CC1(CCNC(=O)[C@@H]2C[NH2+]CCOC2)CC1 ZINC000643799342 384962821 /nfs/dbraw/zinc/96/28/21/384962821.db2.gz VFVBATWPNFXFGC-SNVBAGLBSA-N 1 0 226.320 0.529 10 0 BCAERO CN(C[C@@H](O)C[N@@H+]1CC[C@H](CCO)C1)C1CC1 ZINC000310449582 385069445 /nfs/dbraw/zinc/06/94/45/385069445.db2.gz RYWYIQZVFOHBOY-DGCLKSJQSA-N 1 0 242.363 0.146 10 0 BCAERO CC(=O)CCC(=O)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000203584806 385069486 /nfs/dbraw/zinc/06/94/86/385069486.db2.gz GHDJVMAEGNLBED-LLVKDONJSA-N 1 0 226.320 0.766 10 0 BCAERO CC[C@@H](C(N)=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000113164099 385070891 /nfs/dbraw/zinc/07/08/91/385070891.db2.gz BGTNMOUEPSNYCE-ZJUUUORDSA-N 1 0 211.309 0.030 10 0 BCAERO Cc1c(C[NH2+][C@H]2CCN(C)C2)cnn1C ZINC000086552004 385027508 /nfs/dbraw/zinc/02/75/08/385027508.db2.gz NPBCTNGEASGPNC-NSHDSACASA-N 1 0 208.309 0.522 10 0 BCAERO Cc1cnn(CCNC(=O)C2CC[NH2+]CC2)c1 ZINC000226675470 385040109 /nfs/dbraw/zinc/04/01/09/385040109.db2.gz ZDYBKIIPXPXTLX-UHFFFAOYSA-N 1 0 236.319 0.307 10 0 BCAERO C[C@@H]([NH3+])CNC(=O)[C@@]1(C)CCCS1 ZINC000164836880 385044160 /nfs/dbraw/zinc/04/41/60/385044160.db2.gz DIUUGYVTPQOZLI-VXNVDRBHSA-N 1 0 202.323 0.736 10 0 BCAERO O=C([C@H]1C[NH2+]CCOC1)N1CCCSCC1 ZINC000643767943 385045380 /nfs/dbraw/zinc/04/53/80/385045380.db2.gz JNWKSVOSIZOWNM-JTQLQIEISA-N 1 0 244.360 0.188 10 0 BCAERO O=C(Nc1ccc(O)cc1)[C@@H]1C[NH2+]CCOC1 ZINC000643767935 385046017 /nfs/dbraw/zinc/04/60/17/385046017.db2.gz IYPCSQPRFGPYJA-SECBINFHSA-N 1 0 236.271 0.567 10 0 BCAERO Cn1ccnc1C[NH2+][C@H]1CCCC[C@H]1O ZINC000052002988 385108076 /nfs/dbraw/zinc/10/80/76/385108076.db2.gz FPAWOBKKJWTREP-VHSXEESVSA-N 1 0 209.293 0.813 10 0 BCAERO C[NH+](C)C[C@@H]1CN(c2ccccn2)CCO1 ZINC000108952134 385119550 /nfs/dbraw/zinc/11/95/50/385119550.db2.gz HKFQWIVNGHYDEX-LLVKDONJSA-N 1 0 221.304 0.848 10 0 BCAERO C[C@@]1(C(=O)N[C@@H]2CCCC[C@H]2O)CCCC[NH2+]1 ZINC000227326939 385121060 /nfs/dbraw/zinc/12/10/60/385121060.db2.gz OSFWXVDCXIQGNC-WZRBSPASSA-N 1 0 240.347 0.938 10 0 BCAERO [NH3+]Cc1ncccc1CN1CCOCC1 ZINC000061656408 385128872 /nfs/dbraw/zinc/12/88/72/385128872.db2.gz QJIOAHUASNTOND-UHFFFAOYSA-N 1 0 207.277 0.373 10 0 BCAERO CC[C@](C)(O)C[NH+]1CCN(C2CC2)CC1 ZINC000119412070 385094129 /nfs/dbraw/zinc/09/41/29/385094129.db2.gz LWPWGLPUOYKPOW-LBPRGKRZSA-N 1 0 212.337 0.927 10 0 BCAERO CC[C@](C)(O)C[NH+]1CCN(C(C)=O)CC1 ZINC000119400745 385095679 /nfs/dbraw/zinc/09/56/79/385095679.db2.gz NVUDKHIUYBLCNS-NSHDSACASA-N 1 0 214.309 0.312 10 0 BCAERO [NH3+]Cc1cnnn1-c1ccc2c(c1)OCO2 ZINC000062239209 385103670 /nfs/dbraw/zinc/10/36/70/385103670.db2.gz RWOQWBUJAQTTFF-UHFFFAOYSA-N 1 0 218.216 0.455 10 0 BCAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)c1ccc2n[nH]nc2c1 ZINC000647045148 385181625 /nfs/dbraw/zinc/18/16/25/385181625.db2.gz APCWXZSJBGIUAO-VXNVDRBHSA-N 1 0 245.286 0.520 10 0 BCAERO C[C@@H](O)CCCn1cc(C(C)(C)[NH3+])nn1 ZINC000308815385 385183188 /nfs/dbraw/zinc/18/31/88/385183188.db2.gz AXFYTWDPIPGZDF-MRVPVSSYSA-N 1 0 212.297 0.633 10 0 BCAERO CC[C@H](NC(=O)[C@@H]1CC[C@@H]([NH3+])C1)C(=O)OC ZINC000246524419 385183665 /nfs/dbraw/zinc/18/36/65/385183665.db2.gz RNJNJGVRKDJORO-HLTSFMKQSA-N 1 0 228.292 0.182 10 0 BCAERO O=C(Nc1ccsc1)[C@@H]1C[NH2+]CCOC1 ZINC000643701376 385147568 /nfs/dbraw/zinc/14/75/68/385147568.db2.gz XVHDIHBUWMQMTG-MRVPVSSYSA-N 1 0 226.301 0.923 10 0 BCAERO Cc1nocc1C(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000402701806 385158328 /nfs/dbraw/zinc/15/83/28/385158328.db2.gz BNHTXQGUABNJEZ-PSASIEDQSA-N 1 0 223.276 0.840 10 0 BCAERO C[NH2+][C@H](C)CNC(=O)[C@@H]1CC12CCOCC2 ZINC000647031954 385164697 /nfs/dbraw/zinc/16/46/97/385164697.db2.gz KLSDOBGTYIAZHO-ZJUUUORDSA-N 1 0 226.320 0.527 10 0 BCAERO C[NH2+][C@@H](C)CNC(=O)[C@H]1CC12CCOCC2 ZINC000647031953 385164901 /nfs/dbraw/zinc/16/49/01/385164901.db2.gz KLSDOBGTYIAZHO-VHSXEESVSA-N 1 0 226.320 0.527 10 0 BCAERO CCCCNC(=O)C1(C[NH3+])CCOCC1 ZINC000044762124 385223775 /nfs/dbraw/zinc/22/37/75/385223775.db2.gz IRMGBXFGDZABLT-UHFFFAOYSA-N 1 0 214.309 0.658 10 0 BCAERO C[C@H](O)CNC(=O)N[C@@H]1CC[C@@H]([NH+](C)C)C1 ZINC000341622761 385233470 /nfs/dbraw/zinc/23/34/70/385233470.db2.gz VLTWVYQOWHJWFU-IVZWLZJFSA-N 1 0 229.324 0.149 10 0 BCAERO Cc1nocc1C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000402759077 385242002 /nfs/dbraw/zinc/24/20/02/385242002.db2.gz YUQHZYIZTSHHGB-ZCFIWIBFSA-N 1 0 237.181 0.602 10 0 BCAERO CO[C@@H]1C[C@H](CO)[N@H+](Cc2cnn(C)c2)C1 ZINC000343973857 385243101 /nfs/dbraw/zinc/24/31/01/385243101.db2.gz HHGTUCRSPBICFG-GHMZBOCLSA-N 1 0 225.292 0.002 10 0 BCAERO Cc1nnsc1C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000190509010 385245143 /nfs/dbraw/zinc/24/51/43/385245143.db2.gz VUBIIKARZAIHCE-QMMMGPOBSA-N 1 0 240.332 0.623 10 0 BCAERO CC(C)[C@H](O)C[NH2+][C@@H]1CCC(=O)N[C@H]1C ZINC000308937262 385305277 /nfs/dbraw/zinc/30/52/77/385305277.db2.gz OPOCNWPDMSVAIB-IVZWLZJFSA-N 1 0 214.309 0.260 10 0 BCAERO CO[C@@H]1C[C@H](CO)[N@H+](CCn2cc(C)cn2)C1 ZINC000344899799 385315889 /nfs/dbraw/zinc/31/58/89/385315889.db2.gz QTSHLKMABJEJHZ-VXGBXAGGSA-N 1 0 239.319 0.273 10 0 BCAERO COC(=O)C[C@H]1CSCC[N@@H+]1CC(C)(C)O ZINC000157968547 385319663 /nfs/dbraw/zinc/31/96/63/385319663.db2.gz QXWDBSHBABWYOL-VIFPVBQESA-N 1 0 247.360 0.738 10 0 BCAERO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)[C@H]3CCCO3)C[C@H]21 ZINC000157729050 385260740 /nfs/dbraw/zinc/26/07/40/385260740.db2.gz RMZYMGHVGILMTR-IRCOFANPSA-N 1 0 238.331 0.751 10 0 BCAERO [NH3+]C[C@@H](O)c1cc(F)c2c(c1)CCC(=O)N2 ZINC000575422473 385264381 /nfs/dbraw/zinc/26/43/81/385264381.db2.gz MSDRORUDWLKWFP-SECBINFHSA-N 1 0 224.235 0.703 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N1CCC([C@@H](C)O)CC1 ZINC000157778873 385279292 /nfs/dbraw/zinc/27/92/92/385279292.db2.gz WMXLYGQFKDDKMP-KOLCDFICSA-N 1 0 228.336 0.733 10 0 BCAERO COc1c(C[NH2+]C[C@@H](C)OC)c(C)nn1C ZINC000191200479 385290452 /nfs/dbraw/zinc/29/04/52/385290452.db2.gz VRHNGTOTNPCCJF-MRVPVSSYSA-N 1 0 227.308 0.862 10 0 BCAERO COC[C@@]1(c2nc(-c3ncc[nH]3)no2)CCC[NH2+]1 ZINC000643936908 385298673 /nfs/dbraw/zinc/29/86/73/385298673.db2.gz QCBGFYIIQARJOY-LLVKDONJSA-N 1 0 249.274 0.685 10 0 BCAERO CC(C)(C)[C@H](O)CNC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000648153371 385299053 /nfs/dbraw/zinc/29/90/53/385299053.db2.gz AWNDIQBTPNAHPT-HRDYMLBCSA-N 1 0 214.309 0.247 10 0 BCAERO O=C(NC1CCSCC1)[C@@H]1CC[NH2+]C1 ZINC000158060991 385338127 /nfs/dbraw/zinc/33/81/27/385338127.db2.gz KGJDLWIPPVVKJN-MRVPVSSYSA-N 1 0 214.334 0.608 10 0 BCAERO Cn1nccc1C1CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC000178195474 385343192 /nfs/dbraw/zinc/34/31/92/385343192.db2.gz AGNSZPMZCVGTFQ-GFCCVEGCSA-N 1 0 248.330 0.488 10 0 BCAERO C[NH+](C)[C@H]1CCN(C[C@H](O)CC(F)(F)F)C1 ZINC000307929432 385351378 /nfs/dbraw/zinc/35/13/78/385351378.db2.gz APZFUEUKJVVZTF-DTWKUNHWSA-N 1 0 240.269 0.936 10 0 BCAERO [NH3+]CC1(C(=O)Nc2cc[nH]n2)CCOCC1 ZINC000168256237 385356987 /nfs/dbraw/zinc/35/69/87/385356987.db2.gz OKMMHNUEZNKAST-UHFFFAOYSA-N 1 0 224.264 0.104 10 0 BCAERO CC[C@H](C)[C@@H]([NH3+])C(=O)N[C@H]1CCSC1 ZINC000299963189 385359407 /nfs/dbraw/zinc/35/94/07/385359407.db2.gz XMJXYEJWGSQMNJ-XHNCKOQMSA-N 1 0 216.350 0.982 10 0 BCAERO Cn1ccc(CC(=O)N[C@H]2CCC[C@H]2C[NH3+])n1 ZINC000644065130 385413694 /nfs/dbraw/zinc/41/36/94/385413694.db2.gz WVKZUXFJWDEGQF-ONGXEEELSA-N 1 0 236.319 0.206 10 0 BCAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]CCC(C)(C)O ZINC000309160185 385443247 /nfs/dbraw/zinc/44/32/47/385443247.db2.gz YPFURXJLQAXMBZ-DTWKUNHWSA-N 1 0 214.309 0.404 10 0 BCAERO CC[C@H](COC)[NH2+][C@@H]1CCC(=O)N[C@H]1C ZINC000309165310 385444438 /nfs/dbraw/zinc/44/44/38/385444438.db2.gz ISKRINDZAMUWIV-IVZWLZJFSA-N 1 0 214.309 0.668 10 0 BCAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]C[C@H]1CCC=CO1 ZINC000281729329 385446828 /nfs/dbraw/zinc/44/68/28/385446828.db2.gz JFJUCHMJZBIBQC-AXFHLTTASA-N 1 0 224.304 0.936 10 0 BCAERO Cn1cccc1C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170855997 385451020 /nfs/dbraw/zinc/45/10/20/385451020.db2.gz LFQKAVJKVQTPGD-JTQLQIEISA-N 1 0 221.304 0.801 10 0 BCAERO C[NH+](C)[C@@H]1CCN(C(=O)c2ccon2)C1 ZINC000170865072 385451350 /nfs/dbraw/zinc/45/13/50/385451350.db2.gz VOOAORPIAVHUJS-MRVPVSSYSA-N 1 0 209.249 0.451 10 0 BCAERO CC[C@H](O)C[NH+]1CCN(C[C@H](C)OC)CC1 ZINC000182195270 385434200 /nfs/dbraw/zinc/43/42/00/385434200.db2.gz YTSRBOXRHSRVNZ-RYUDHWBXSA-N 1 0 230.352 0.410 10 0 BCAERO CC(C)(O)C[N@H+](CCO)Cc1cccnc1 ZINC000156823021 385469292 /nfs/dbraw/zinc/46/92/92/385469292.db2.gz BUWQPCIUTUTIQT-UHFFFAOYSA-N 1 0 224.304 0.647 10 0 BCAERO Cn1cc(CC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cn1 ZINC000171278808 385475808 /nfs/dbraw/zinc/47/58/08/385475808.db2.gz OABVLMAOBQQCEW-GFCCVEGCSA-N 1 0 248.330 0.269 10 0 BCAERO Cn1cnc(C(=O)N2CC[C@H]([NH+](C)C)C2)c1 ZINC000179321715 385459240 /nfs/dbraw/zinc/45/92/40/385459240.db2.gz BGDPWQKHGRPLMZ-VIFPVBQESA-N 1 0 222.292 0.196 10 0 BCAERO Cc1conc1C(=O)N1CCC[C@H]([NH3+])C1 ZINC000257744606 385496763 /nfs/dbraw/zinc/49/67/63/385496763.db2.gz XHOQPEUFFBNFND-QMMMGPOBSA-N 1 0 209.249 0.546 10 0 BCAERO O=C(c1ccc[nH]1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171585311 385497952 /nfs/dbraw/zinc/49/79/52/385497952.db2.gz RSPHCLZRLBDJLV-JTQLQIEISA-N 1 0 219.288 0.935 10 0 BCAERO Cc1cnn(CC[NH2+]Cc2cncn2C)c1 ZINC000171627229 385502308 /nfs/dbraw/zinc/50/23/08/385502308.db2.gz MDFABKYXVUUBEX-UHFFFAOYSA-N 1 0 219.292 0.715 10 0 BCAERO CN1C(=O)CC[C@@H]([NH2+][C@@H]2CCC2(C)C)C1=O ZINC000309291474 385514211 /nfs/dbraw/zinc/51/42/11/385514211.db2.gz JTAFLFMHVBENDN-RKDXNWHRSA-N 1 0 224.304 0.912 10 0 BCAERO c1cn2c(n1)CC[C@@H]([NH2+][C@H]1CCCOC1)C2 ZINC000309317648 385529508 /nfs/dbraw/zinc/52/95/08/385529508.db2.gz DLICBXSZJQVZNX-MNOVXSKESA-N 1 0 221.304 0.967 10 0 BCAERO C=Cn1cc(C[NH2+][C@@H]2CCC(=O)N[C@@H]2C)cn1 ZINC000282244963 385540148 /nfs/dbraw/zinc/54/01/48/385540148.db2.gz GHOCQVDARDTGEU-MWLCHTKSSA-N 1 0 234.303 0.740 10 0 BCAERO CC(C)S(=O)(=O)[C@@H]1CCC[NH2+]CC1 ZINC000258141359 385542669 /nfs/dbraw/zinc/54/26/69/385542669.db2.gz XJLWJGTXRJEBQC-SECBINFHSA-N 1 0 205.323 0.952 10 0 BCAERO C[NH+](C)C[C@H]1CN(Cc2ccon2)CCO1 ZINC000158005823 385542875 /nfs/dbraw/zinc/54/28/75/385542875.db2.gz NOFXDJJDVRVVIL-NSHDSACASA-N 1 0 225.292 0.437 10 0 BCAERO COc1cc(N2CCC(C)([NH3+])CC2)ncn1 ZINC000643028498 385523551 /nfs/dbraw/zinc/52/35/51/385523551.db2.gz KQUXRGLTQGPWPX-UHFFFAOYSA-N 1 0 222.292 0.803 10 0 BCAERO C[NH2+][C@H](C)C(=O)N(C)Cc1cccc(O)c1 ZINC000054075502 385594049 /nfs/dbraw/zinc/59/40/49/385594049.db2.gz FOXRTFSMLAUEQO-SECBINFHSA-N 1 0 222.288 0.959 10 0 BCAERO C[NH2+][C@H](C)C(=O)NC[C@@H]1CCCOC1 ZINC000054075664 385594269 /nfs/dbraw/zinc/59/42/69/385594269.db2.gz TZLZRVLPEVXWHR-BDAKNGLRSA-N 1 0 200.282 0.137 10 0 BCAERO COC(=O)C(C)(C)NC(=O)C[C@H]1CCC[NH2+]C1 ZINC000054307288 385613684 /nfs/dbraw/zinc/61/36/84/385613684.db2.gz RQPGGNJCQPJKKH-SECBINFHSA-N 1 0 242.319 0.444 10 0 BCAERO CC(C)(C)OC(=O)N1C[C@@H]2C[NH2+]C[C@@H]2C1=O ZINC000253388131 385673412 /nfs/dbraw/zinc/67/34/12/385673412.db2.gz ZCPQWXSMXZWYEK-YUMQZZPRSA-N 1 0 226.276 0.599 10 0 BCAERO C[NH2+]C[C@@H](C)Nc1cc(C)nc2ncnn21 ZINC000308984841 385680773 /nfs/dbraw/zinc/68/07/73/385680773.db2.gz VANBZJJFVUVRBM-MRVPVSSYSA-N 1 0 220.280 0.453 10 0 BCAERO CCCn1nnc2c1nc(C[NH2+]C)[nH]c2=O ZINC000253565910 385684094 /nfs/dbraw/zinc/68/40/94/385684094.db2.gz IIIHGEVKFRSIQQ-UHFFFAOYSA-N 1 0 222.252 0.056 10 0 BCAERO CC[C@](C)(O)C[N@@H+]1C[C@H](O)C(C)(C)C1 ZINC000307366032 385684915 /nfs/dbraw/zinc/68/49/15/385684915.db2.gz MOSNENYMDVKUOU-ONGXEEELSA-N 1 0 201.310 0.850 10 0 BCAERO CCOCCNC(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000055085782 385707169 /nfs/dbraw/zinc/70/71/69/385707169.db2.gz HWUOJBSOYRXWRM-UWVGGRQHSA-N 1 0 214.309 0.657 10 0 BCAERO Cn1cc(C[NH2+][C@@H]2CCC[C@H](O)C2)nn1 ZINC000054860408 385670006 /nfs/dbraw/zinc/67/00/06/385670006.db2.gz LTKZDQCUNPOZAZ-SCZZXKLOSA-N 1 0 210.281 0.208 10 0 BCAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]Cc1ccc(F)cn1 ZINC000282210537 385741059 /nfs/dbraw/zinc/74/10/59/385741059.db2.gz DIOMRHMEMCESSM-KWQFWETISA-N 1 0 237.278 0.977 10 0 BCAERO COC(=O)c1cccc2c1OC[C@@H]2C[NH3+] ZINC000257351792 385767898 /nfs/dbraw/zinc/76/78/98/385767898.db2.gz HDWNQXDUBGEURH-ZETCQYMHSA-N 1 0 207.229 0.908 10 0 BCAERO O=C(CC[NH2+]C1CC1)N1CCn2ccnc2C1 ZINC000062254793 385769998 /nfs/dbraw/zinc/76/99/98/385769998.db2.gz YCBYBZIMJGTVSP-UHFFFAOYSA-N 1 0 234.303 0.367 10 0 BCAERO C[C@H]([NH3+])C(=O)N[C@@H]1CC[C@H](C)SC1 ZINC000575534173 385893582 /nfs/dbraw/zinc/89/35/82/385893582.db2.gz IBWLKMKHUSBMJI-BIIVOSGPSA-N 1 0 202.323 0.734 10 0 BCAERO CC(C)[C@H]1OCC[C@H]1CNC(=O)[C@H](C)[NH3+] ZINC000121775532 385861846 /nfs/dbraw/zinc/86/18/46/385861846.db2.gz PIIQFDWUKLZRNO-LPEHRKFASA-N 1 0 214.309 0.511 10 0 BCAERO O[C@H]1COC[C@@H]1[NH2+]C1CCC2(CC1)OCCO2 ZINC000307132576 385936652 /nfs/dbraw/zinc/93/66/52/385936652.db2.gz GZUNKNAAKLGRHS-QWRGUYRKSA-N 1 0 243.303 0.021 10 0 BCAERO Cn1cc(CCNC(=O)[C@H]2CC[C@@H]([NH3+])C2)cn1 ZINC000128115425 385956433 /nfs/dbraw/zinc/95/64/33/385956433.db2.gz UCBUFNCONVRTMY-WDEREUQCSA-N 1 0 236.319 0.206 10 0 BCAERO Cn1cc(CCNC(=O)[C@@H]2CC[C@H]([NH3+])C2)cn1 ZINC000128114733 385956945 /nfs/dbraw/zinc/95/69/45/385956945.db2.gz UCBUFNCONVRTMY-MNOVXSKESA-N 1 0 236.319 0.206 10 0 BCAERO CCC[C@H](C(=O)NC[C@@H](C)OC)[NH+](C)C ZINC000189169588 385961239 /nfs/dbraw/zinc/96/12/39/385961239.db2.gz CIEPLUBEPNUXSS-NXEZZACHSA-N 1 0 216.325 0.868 10 0 BCAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]C[C@H]1CCSC1 ZINC000336746758 385964887 /nfs/dbraw/zinc/96/48/87/385964887.db2.gz BYFOKVWPRMMJPT-AEJSXWLSSA-N 1 0 228.361 0.996 10 0 BCAERO C[C@H]1CN(C(=O)c2ccncc2F)C[C@@H]1C[NH3+] ZINC000638893665 386007797 /nfs/dbraw/zinc/00/77/97/386007797.db2.gz MGFURQAXYRNZLO-IUCAKERBSA-N 1 0 237.278 0.888 10 0 BCAERO C[C@H]1CN(C(=O)c2ccncc2)C[C@@H]1C[NH3+] ZINC000638893626 386007806 /nfs/dbraw/zinc/00/78/06/386007806.db2.gz LOQVUZUGFYOJBE-ONGXEEELSA-N 1 0 219.288 0.748 10 0 BCAERO CC[C@@H]([NH3+])C(=O)N1CCCC[C@H]1C(=O)OC ZINC000037804407 386102425 /nfs/dbraw/zinc/10/24/25/386102425.db2.gz LTULXDILQDGWOQ-BDAKNGLRSA-N 1 0 228.292 0.278 10 0 BCAERO C[NH2+][C@@]1(C(N)=O)CCOc2ccccc21 ZINC000037869747 386104571 /nfs/dbraw/zinc/10/45/71/386104571.db2.gz KJMFPMKZZBVHOK-NSHDSACASA-N 1 0 206.245 0.369 10 0 BCAERO CC(C)(C)C[C@@H](CO)N[C@@H]1CC[NH2+]C1 ZINC000393507153 386116010 /nfs/dbraw/zinc/11/60/10/386116010.db2.gz IDFBXVXVFQZEAF-ZJUUUORDSA-N 1 0 200.326 0.735 10 0 BCAERO CCN(CC)C(=O)CN(C)[C@H]1CCC[NH2+]CC1 ZINC000129486645 386078878 /nfs/dbraw/zinc/07/88/78/386078878.db2.gz GKBPTONWSVJFME-LBPRGKRZSA-N 1 0 241.379 0.929 10 0 BCAERO CC[C@@](C)(O)C[N@@H+]1CC[C@H](OCCOC)C1 ZINC000189721094 386081358 /nfs/dbraw/zinc/08/13/58/386081358.db2.gz ATUJLGGQIDROLK-NWDGAFQWSA-N 1 0 231.336 0.885 10 0 BCAERO COCC1(C[NH2+]C[C@H]2CN(C)CCO2)CCC1 ZINC000310163300 386152441 /nfs/dbraw/zinc/15/24/41/386152441.db2.gz RSGAEYMKOSHUPQ-LBPRGKRZSA-N 1 0 242.363 0.723 10 0 BCAERO C[NH+](C)[C@@H]1CCN(C(=O)C2CCC(=O)CC2)C1 ZINC000345863399 386133836 /nfs/dbraw/zinc/13/38/36/386133836.db2.gz WGVFMBJNRODONX-LLVKDONJSA-N 1 0 238.331 0.908 10 0 BCAERO O=C(NC1CSC1)[C@@H]1CCC[NH2+]C1 ZINC000575579526 386225500 /nfs/dbraw/zinc/22/55/00/386225500.db2.gz MJYWJEGRPFRPPY-SSDOTTSWSA-N 1 0 200.307 0.218 10 0 BCAERO C[NH+](C)[C@H]1CCN(C(=O)c2ccncc2F)C1 ZINC000226225433 386240490 /nfs/dbraw/zinc/24/04/90/386240490.db2.gz KSXPINXVBYVQMZ-VIFPVBQESA-N 1 0 237.278 0.997 10 0 BCAERO COC[C@@H](NC(=O)[C@H]1CC[NH2+]C1)C1CC1 ZINC000125398161 386251956 /nfs/dbraw/zinc/25/19/56/386251956.db2.gz VHGKMOKSSKEIBE-VHSXEESVSA-N 1 0 212.293 0.137 10 0 BCAERO CC(C)C(=O)NCCNC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000091546840 386299074 /nfs/dbraw/zinc/29/90/74/386299074.db2.gz UZBYWYCXYAFDJE-NXEZZACHSA-N 1 0 241.335 0.002 10 0 BCAERO [NH3+][C@@H]1CC[C@@H](C(=O)N2CCN(C3CC3)CC2)C1 ZINC000091544638 386299892 /nfs/dbraw/zinc/29/98/92/386299892.db2.gz UXHSOUXNGNTDAV-GHMZBOCLSA-N 1 0 237.347 0.420 10 0 BCAERO CCCCN(CC(N)=O)C(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000091548303 386300270 /nfs/dbraw/zinc/30/02/70/386300270.db2.gz KWMRKAGJGIFESW-VHSXEESVSA-N 1 0 241.335 0.228 10 0 BCAERO C[C@]1(C(=O)NCCn2cccn2)CCCC[NH2+]1 ZINC000133374381 386319559 /nfs/dbraw/zinc/31/95/59/386319559.db2.gz DOPWCVBJLRBTMB-GFCCVEGCSA-N 1 0 236.319 0.532 10 0 BCAERO Cc1c(C[NH2+]CC(=O)NCC2CC2)cnn1C ZINC000226515171 386323693 /nfs/dbraw/zinc/32/36/93/386323693.db2.gz NPKABRUPVUUUBP-UHFFFAOYSA-N 1 0 236.319 0.344 10 0 BCAERO Cc1noc(CCCN2C[C@@H](C)[C@@H]([NH3+])C2)n1 ZINC000647987664 386278251 /nfs/dbraw/zinc/27/82/51/386278251.db2.gz PCIOPABKMXXYSZ-SCZZXKLOSA-N 1 0 224.308 0.590 10 0 BCAERO COC(=O)[C@H]1CN(C)CCN1Cc1ccccc1 ZINC000226602994 386342090 /nfs/dbraw/zinc/34/20/90/386342090.db2.gz ZTZITNFZYUECFT-CYBMUJFWSA-N 1 0 248.326 0.976 10 0 BCAERO O[C@@H]1CC[C@@H]2C[N@H+](C[C@@H]3COCCO3)C[C@H]2C1 ZINC000425522622 386326261 /nfs/dbraw/zinc/32/62/61/386326261.db2.gz BIIJPXALVWAPKM-FDYHWXHSSA-N 1 0 241.331 0.495 10 0 BCAERO CCO[C@@H]1C[C@@H]1C(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000262569347 386336890 /nfs/dbraw/zinc/33/68/90/386336890.db2.gz GCSROBRHJRSTJU-NOOOWODRSA-N 1 0 240.347 0.997 10 0 BCAERO CCO[C@@H]1C[C@@H]1C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000262569346 386337310 /nfs/dbraw/zinc/33/73/10/386337310.db2.gz GCSROBRHJRSTJU-FIQHERPVSA-N 1 0 240.347 0.997 10 0 BCAERO CC(C)[NH2+]C[C@H]([NH3+])C[C@H](C)CC(=O)[O-] ZINC000521401001 386449154 /nfs/dbraw/zinc/44/91/54/386449154.db2.gz DPPAKUHDLLOUGS-DTWKUNHWSA-N 1 0 202.298 0.813 10 0 BCAERO CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@H](C)C(=O)OC ZINC000262598184 386414473 /nfs/dbraw/zinc/41/44/73/386414473.db2.gz AMKRAOIQPLHPLN-XHNCKOQMSA-N 1 0 230.308 0.285 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)NC(C)(C)C ZINC000134454047 386429736 /nfs/dbraw/zinc/42/97/36/386429736.db2.gz FHKYXESGDGCENL-IUCAKERBSA-N 1 0 243.351 0.533 10 0 BCAERO CCOC(=O)COCC[N@@H+]1C[C@H](O)CC[C@H]1C ZINC000399167151 386431421 /nfs/dbraw/zinc/43/14/21/386431421.db2.gz BOHGSSCHHXGGLT-GHMZBOCLSA-N 1 0 245.319 0.411 10 0 BCAERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)NCc1ccnn1C ZINC000094648393 386466346 /nfs/dbraw/zinc/46/63/46/386466346.db2.gz UYLNZYMEFKROBR-GXSJLCMTSA-N 1 0 236.319 0.424 10 0 BCAERO CCc1nnc(CN2CC[C@H]([C@H](C)[NH3+])C2)n1C ZINC000519651860 386520345 /nfs/dbraw/zinc/52/03/45/386520345.db2.gz GWRNEADEMPYODS-UWVGGRQHSA-N 1 0 237.351 0.547 10 0 BCAERO CC(C)n1cc([C@@H]2C[NH2+]C[C@H]2CO)cn1 ZINC000238853240 386534384 /nfs/dbraw/zinc/53/43/84/386534384.db2.gz ITDWXHBYHVAYNM-QWRGUYRKSA-N 1 0 209.293 0.759 10 0 BCAERO C[C@@H]1CC(C[NH2+]CCC(N)=O)C[C@@H](C)O1 ZINC000519699563 386536095 /nfs/dbraw/zinc/53/60/95/386536095.db2.gz KJWIPLBIQDOKOV-RKDXNWHRSA-N 1 0 214.309 0.655 10 0 BCAERO COC(=O)[C@@H]1CCO[C@@H]1C1CC[NH2+]CC1 ZINC000238856359 386536723 /nfs/dbraw/zinc/53/67/23/386536723.db2.gz VTUVNQWOJMZUOZ-NXEZZACHSA-N 1 0 213.277 0.564 10 0 BCAERO [NH3+]C[C@H]1C[C@@H](F)CN1Cc1cncnc1 ZINC000238853775 386537654 /nfs/dbraw/zinc/53/76/54/386537654.db2.gz KYPKJXGLBZNHQP-NXEZZACHSA-N 1 0 210.256 0.348 10 0 BCAERO CC(C)[C@H](C(=O)NC[C@@H]1CCC[C@H]1O)[C@H](C)[NH3+] ZINC000399416133 386560896 /nfs/dbraw/zinc/56/08/96/386560896.db2.gz CPLAKXXNHJNHEK-YFKTTZPYSA-N 1 0 242.363 0.883 10 0 BCAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]CCOCC1CC1 ZINC000336780753 386568153 /nfs/dbraw/zinc/56/81/53/386568153.db2.gz RZNARFBYVZXLFV-GXSJLCMTSA-N 1 0 226.320 0.670 10 0 BCAERO Cn1c(N)nnc1SC[C@@H]1CC[NH2+]C1 ZINC000051891180 386621663 /nfs/dbraw/zinc/62/16/63/386621663.db2.gz GZOWIWQWPCPYPT-ZCFIWIBFSA-N 1 0 213.310 0.099 10 0 BCAERO CCOCC[NH2+][C@H]1CCC(=O)N[C@H]1C ZINC000336646486 386633970 /nfs/dbraw/zinc/63/39/70/386633970.db2.gz CZXFJVUJYJJQEQ-IUCAKERBSA-N 1 0 200.282 0.280 10 0 BCAERO C[C@@H]1CN(C(=O)c2cn3ccccc3n2)C[C@@H]1[NH3+] ZINC000335513192 386649640 /nfs/dbraw/zinc/64/96/40/386649640.db2.gz WOYQBXFVHVINNA-ZJUUUORDSA-N 1 0 244.298 0.754 10 0 BCAERO Cc1cnn(CC[NH2+]C2CCOCC2)c1 ZINC000062767966 386600823 /nfs/dbraw/zinc/60/08/23/386600823.db2.gz ONSMHMGCRDVPMK-UHFFFAOYSA-N 1 0 209.293 0.960 10 0 BCAERO C[C@H](Nc1ccnc(C(N)=O)c1)[C@@H]1CCC[NH2+]C1 ZINC000050163773 386687293 /nfs/dbraw/zinc/68/72/93/386687293.db2.gz KJMRMHYZKVJXQH-VHSXEESVSA-N 1 0 248.330 0.981 10 0 BCAERO CC[C@H](O)C[N@@H+]1CCO[C@@H](Cn2cccn2)C1 ZINC000247543333 386723327 /nfs/dbraw/zinc/72/33/27/386723327.db2.gz DEQSBBKUSYOXKU-NWDGAFQWSA-N 1 0 239.319 0.355 10 0 BCAERO Cn1ncc2c1ncnc2NC[C@@H]1CCC[NH2+]C1 ZINC000044502989 386723323 /nfs/dbraw/zinc/72/33/23/386723323.db2.gz WQLLNIKGIFFUJW-SECBINFHSA-N 1 0 246.318 0.775 10 0 BCAERO Cc1noc(C)c1CC(=O)N1CCC[C@@H]1C[NH3+] ZINC000122310500 386741281 /nfs/dbraw/zinc/74/12/81/386741281.db2.gz DDESXZAAUMDGGH-SNVBAGLBSA-N 1 0 237.303 0.784 10 0 BCAERO C[C@@H]1OCC[C@@H]1NC(=O)N1CC[NH2+][C@H](C)C1 ZINC000417950645 386741878 /nfs/dbraw/zinc/74/18/78/386741878.db2.gz MBCMJKUFEKBLHR-UTLUCORTSA-N 1 0 227.308 0.167 10 0 BCAERO C[C@@H]1OCC[C@H]1NC(=O)N1CC[NH2+]C[C@@H]1C ZINC000417956328 386770365 /nfs/dbraw/zinc/77/03/65/386770365.db2.gz SQSQPIOOQZSQED-LPEHRKFASA-N 1 0 227.308 0.167 10 0 BCAERO CC[C@@H](O)C[N@@H+]1CCC[C@]1(C)C(=O)OC ZINC000186404842 386824140 /nfs/dbraw/zinc/82/41/40/386824140.db2.gz XBNGLYLEVHFEKX-MWLCHTKSSA-N 1 0 215.293 0.785 10 0 BCAERO CCOCCN1CC[N@H+](C[C@@H](C)O)C[C@H]1CC ZINC000192979002 386805541 /nfs/dbraw/zinc/80/55/41/386805541.db2.gz DWJLQWYXRIKWHM-CHWSQXEVSA-N 1 0 244.379 0.800 10 0 BCAERO O[C@@H](C1=CCCO1)[C@@H]1C[NH2+]CCS1 ZINC000575453439 386811234 /nfs/dbraw/zinc/81/12/34/386811234.db2.gz GRUVPQGSIJBZFP-IUCAKERBSA-N 1 0 201.291 0.357 10 0 BCAERO F[C@@H]1CCN(C[C@H]2CSCC[NH2+]2)C1 ZINC000575453626 386834375 /nfs/dbraw/zinc/83/43/75/386834375.db2.gz NCPLMFSXKZEZJA-BDAKNGLRSA-N 1 0 204.314 0.735 10 0 BCAERO C[C@@H]1CN(C(=O)N[C@@H]2CCO[C@H]2C)C[C@H]1[NH3+] ZINC000417959755 386842294 /nfs/dbraw/zinc/84/22/94/386842294.db2.gz WVBNPVSIEWIOKF-UTINFBMNSA-N 1 0 227.308 0.152 10 0 BCAERO Cc1nnc(N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)s1 ZINC000301623762 386861759 /nfs/dbraw/zinc/86/17/59/386861759.db2.gz AAFFUIDPFDCBIQ-RKDXNWHRSA-N 1 0 240.332 0.366 10 0 BCAERO C[N@@H+]1CCO[C@H]2CN(c3cccc(F)n3)C[C@H]21 ZINC000301650699 386863326 /nfs/dbraw/zinc/86/33/26/386863326.db2.gz JPSKSZYASTWNNI-ZJUUUORDSA-N 1 0 237.278 0.740 10 0 BCAERO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)[C@@H]3CCCO3)C[C@H]21 ZINC000125693151 386867926 /nfs/dbraw/zinc/86/79/26/386867926.db2.gz RMZYMGHVGILMTR-QCNOEVLYSA-N 1 0 238.331 0.751 10 0 BCAERO CC[C@@H](C(=O)OC)[N@@H+]1CC[C@@H](CCO)C1 ZINC000357954669 386868398 /nfs/dbraw/zinc/86/83/98/386868398.db2.gz VYIYWMSXTCRHCA-UWVGGRQHSA-N 1 0 215.293 0.642 10 0 BCAERO CO[C@@H](C)C(=O)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186502182 386956160 /nfs/dbraw/zinc/95/61/60/386956160.db2.gz MFRSGKFZLUISRX-UWVGGRQHSA-N 1 0 226.320 0.764 10 0 BCAERO C[NH+](C)CC(=O)N[C@@H]1CCCC[C@H]1CO ZINC000157199614 386963050 /nfs/dbraw/zinc/96/30/50/386963050.db2.gz KVSPXCANLWSSDI-VHSXEESVSA-N 1 0 214.309 0.215 10 0 BCAERO CC(C)NC(=O)C[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000398723194 386969533 /nfs/dbraw/zinc/96/95/33/386969533.db2.gz SPUUTAXIARKJDH-QJPTWQEYSA-N 1 0 240.347 0.604 10 0 BCAERO O=C1NC[C@H](C[N@H+]2C[C@@H]3CC[C@@H](O)C[C@@H]3C2)O1 ZINC000398724568 386969959 /nfs/dbraw/zinc/96/99/59/386969959.db2.gz TVNADUMAWVIBMX-LNFKQOIKSA-N 1 0 240.303 0.188 10 0 BCAERO COC(=O)[C@H](C)[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000398734343 386975129 /nfs/dbraw/zinc/97/51/29/386975129.db2.gz WPZIEBIHDNZXEW-UKKRHICBSA-N 1 0 227.304 0.641 10 0 BCAERO CCNC(=O)CC[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000398730984 386976026 /nfs/dbraw/zinc/97/60/26/386976026.db2.gz VQICRHAUBJUDFB-QJPTWQEYSA-N 1 0 240.347 0.605 10 0 BCAERO CCNC(=O)CC[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000398730987 386976416 /nfs/dbraw/zinc/97/64/16/386976416.db2.gz VQICRHAUBJUDFB-SDDRHHMPSA-N 1 0 240.347 0.605 10 0 BCAERO CCOCC[N@@H+]1CCN(C(C)=O)C[C@@H]1CC ZINC000116771063 386976680 /nfs/dbraw/zinc/97/66/80/386976680.db2.gz URVBJGLMYPJYJT-LBPRGKRZSA-N 1 0 228.336 0.966 10 0 BCAERO COC[C@@H](C)C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000116797163 386978446 /nfs/dbraw/zinc/97/84/46/386978446.db2.gz IKKLUZHICFNUOK-GHMZBOCLSA-N 1 0 244.335 0.058 10 0 BCAERO COC(=O)CC[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000398738737 386979963 /nfs/dbraw/zinc/97/99/63/386979963.db2.gz YIHQRZABQCTVRC-GARJFASQSA-N 1 0 227.304 0.642 10 0 BCAERO C[C@@H]1C[NH2+]CCN1C(=O)N[C@H]1CCCOC1 ZINC000334909824 386983893 /nfs/dbraw/zinc/98/38/93/386983893.db2.gz DBSUABRCKLZMIR-ZJUUUORDSA-N 1 0 227.308 0.169 10 0 BCAERO CC(=[NH2+])N[C@@H]1CCCS(=O)(=O)CC1 ZINC000575461377 387030926 /nfs/dbraw/zinc/03/09/26/387030926.db2.gz BYEBJCINFFZHTQ-MRVPVSSYSA-N 1 0 204.295 0.540 10 0 BCAERO CCS(=O)(=O)c1ccccc1N(C)CC[NH3+] ZINC000053663616 387032488 /nfs/dbraw/zinc/03/24/88/387032488.db2.gz LTQBUAWYPHCGFY-UHFFFAOYSA-N 1 0 242.344 0.875 10 0 BCAERO CC(C)(C)[C@@H](O)CNC(=O)[C@H]([NH3+])C1CCC1 ZINC000398980963 387032975 /nfs/dbraw/zinc/03/29/75/387032975.db2.gz GAHGRCQRNLIRMS-VHSXEESVSA-N 1 0 228.336 0.637 10 0 BCAERO C[C@]1(C(=O)NC2CSC2)CC[NH2+]C1 ZINC000575577533 387035121 /nfs/dbraw/zinc/03/51/21/387035121.db2.gz CUPJIOLXDWZIAF-VIFPVBQESA-N 1 0 200.307 0.218 10 0 BCAERO [NH3+][C@H](c1cncs1)[C@H]1COCCO1 ZINC000575464131 387044738 /nfs/dbraw/zinc/04/47/38/387044738.db2.gz FJLBHRXYGMUASA-SVRRBLITSA-N 1 0 200.263 0.558 10 0 BCAERO COC[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C)C(C)C ZINC000336764235 387051928 /nfs/dbraw/zinc/05/19/28/387051928.db2.gz NBNUTFZALUQMIX-AXFHLTTASA-N 1 0 228.336 0.914 10 0 BCAERO [NH3+][C@H]1CCO[C@@H]1C(=O)NCc1ccccc1 ZINC000575583918 387059835 /nfs/dbraw/zinc/05/98/35/387059835.db2.gz NRLRQKQKNHRQJZ-QWRGUYRKSA-N 1 0 220.272 0.419 10 0 BCAERO C[C@H](O)CC[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000398886837 387011273 /nfs/dbraw/zinc/01/12/73/387011273.db2.gz YLBSDPZRNOJETK-NNYUYHANSA-N 1 0 213.321 0.850 10 0 BCAERO Cn1ncc(NCC(=[NH2+])NO)c1Cl ZINC000575466426 387065874 /nfs/dbraw/zinc/06/58/74/387065874.db2.gz ZLPKINCUZVBVOL-UHFFFAOYSA-N 1 0 203.633 0.441 10 0 BCAERO CS[C@@H]1CC[C@@H]1[NH2+]C[C@H]1CN(C)CCO1 ZINC000425366102 387024773 /nfs/dbraw/zinc/02/47/73/387024773.db2.gz ZIOVYKGZPKYVDR-GARJFASQSA-N 1 0 230.377 0.801 10 0 BCAERO [NH3+][C@@H]1COC[C@@H]1[C@@H](O)c1cnsc1 ZINC000575456488 387027225 /nfs/dbraw/zinc/02/72/25/387027225.db2.gz YQTUDJDBJPPRFS-RNJXMRFFSA-N 1 0 200.263 0.150 10 0 BCAERO O=S1(=O)CCC[C@H]1/C=C1/CC[NH2+]C1 ZINC000575456051 387027632 /nfs/dbraw/zinc/02/76/32/387027632.db2.gz XGHKJQQBLRNQAL-XZLDQRQTSA-N 1 0 201.291 0.483 10 0 BCAERO [NH3+][C@@H]1CCOC[C@@H]1S[C@H]1CCOC1 ZINC000575576416 387028420 /nfs/dbraw/zinc/02/84/20/387028420.db2.gz SQRHCRBVXBICOI-YIZRAAEISA-N 1 0 203.307 0.625 10 0 BCAERO COC(=O)C(C)(C)NC(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000070575229 387069569 /nfs/dbraw/zinc/06/95/69/387069569.db2.gz IYGJXPICDMBKJA-BDAKNGLRSA-N 1 0 242.319 0.572 10 0 BCAERO [NH3+]C[C@@H]1CCCN1CC(=O)NCc1ccccc1 ZINC000111381051 387076674 /nfs/dbraw/zinc/07/66/74/387076674.db2.gz JYEKYSYKFFKZPM-ZDUSSCGKSA-N 1 0 247.342 0.726 10 0 BCAERO C[C@H]([NH2+]C[C@H]1CN(C)CCO1)[C@H]1CCOC1 ZINC000246370757 387080017 /nfs/dbraw/zinc/08/00/17/387080017.db2.gz JFUVZULHNVOQCF-SRVKXCTJSA-N 1 0 228.336 0.332 10 0 BCAERO COc1cc(N2C[C@H](C[NH3+])C[C@@H]2C)ncn1 ZINC000127007141 387092660 /nfs/dbraw/zinc/09/26/60/387092660.db2.gz IIQKPUNGELMUJK-IUCAKERBSA-N 1 0 222.292 0.659 10 0 BCAERO COc1cc(N2C[C@H](C[NH3+])C[C@H]2C)ncn1 ZINC000127006923 387092943 /nfs/dbraw/zinc/09/29/43/387092943.db2.gz IIQKPUNGELMUJK-BDAKNGLRSA-N 1 0 222.292 0.659 10 0 BCAERO CC[C@](C)(O)C[N@@H+]1CCC[C@@](C)(O)C1 ZINC000119430620 387131327 /nfs/dbraw/zinc/13/13/27/387131327.db2.gz BIGZUMRVOYSXFA-WDEREUQCSA-N 1 0 201.310 0.994 10 0 BCAERO C[C@@H]([NH3+])[C@H]1CCN(c2ccnc(N(C)C)n2)C1 ZINC000127367787 387116802 /nfs/dbraw/zinc/11/68/02/387116802.db2.gz QHNDENSOYXTABU-ZJUUUORDSA-N 1 0 235.335 0.716 10 0 BCAERO COC[C@H](C)C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000186735016 387129341 /nfs/dbraw/zinc/12/93/41/387129341.db2.gz ZUDPLHMNMFYNOE-JTQLQIEISA-N 1 0 228.336 0.822 10 0 BCAERO c1cc(-c2nc3n(n2)CCNC3)ccn1 ZINC000145760465 387156013 /nfs/dbraw/zinc/15/60/13/387156013.db2.gz UFUWHYOLNJIBAV-UHFFFAOYSA-N 1 0 201.233 0.443 10 0 BCAERO Cn1nnc(Br)c1[C@H](O)C(C)(C)[NH3+] ZINC000306440826 387160337 /nfs/dbraw/zinc/16/03/37/387160337.db2.gz RAXXRYBYPONTKK-YFKPBYRVSA-N 1 0 249.112 0.348 10 0 BCAERO Cn1cnc(-c2nnc(C3(C)C[NH2+]C3)o2)c1 ZINC000536948704 387160393 /nfs/dbraw/zinc/16/03/93/387160393.db2.gz FBMVIWLUOASKQX-UHFFFAOYSA-N 1 0 219.248 0.331 10 0 BCAERO CN(C(N)=S)[C@H]1C[N@H+](C)C(C)(C)C1 ZINC000575478665 387162719 /nfs/dbraw/zinc/16/27/19/387162719.db2.gz JBPIPMHAJBBEHD-SSDOTTSWSA-N 1 0 201.339 0.645 10 0 BCAERO Nc1ccc(F)cc1OCC1=[NH+]CCN1 ZINC000536952036 387163440 /nfs/dbraw/zinc/16/34/40/387163440.db2.gz ALZWCTMWQVYVCY-UHFFFAOYSA-N 1 0 209.224 0.788 10 0 BCAERO CC[C@@H](C)n1[nH]c(=O)c2c1C[NH2+]C[C@@H]2N ZINC000536955920 387169610 /nfs/dbraw/zinc/16/96/10/387169610.db2.gz VOAMCACZTVDZIA-RQJHMYQMSA-N 1 0 210.281 0.663 10 0 BCAERO O[C@@H]1COCC[C@@H]1[NH2+][C@H]1CCSC1 ZINC000575588952 387183234 /nfs/dbraw/zinc/18/32/34/387183234.db2.gz KVHLJOYYHUGFBS-XHNCKOQMSA-N 1 0 203.307 0.231 10 0 BCAERO CO[C@@H]1C[C@@H](CO)[N@H+](CCn2ccnc2C)C1 ZINC000284686174 387212769 /nfs/dbraw/zinc/21/27/69/387212769.db2.gz SCJVNPLRFCWUHG-NWDGAFQWSA-N 1 0 239.319 0.273 10 0 BCAERO Cc1ccc(C[N@@H+]2CCC[C@](O)(C(N)=O)C2)cc1 ZINC000284875818 387236824 /nfs/dbraw/zinc/23/68/24/387236824.db2.gz QFOCEIBQOXDBDG-CQSZACIVSA-N 1 0 248.326 0.807 10 0 BCAERO CCC[C@H](C(=O)NCCOCC)[NH+](C)C ZINC000161634576 387244124 /nfs/dbraw/zinc/24/41/24/387244124.db2.gz DCTHJCVTTGEMHN-SNVBAGLBSA-N 1 0 216.325 0.869 10 0 BCAERO C[C@H]([NH2+]CC(=O)N1CCOCC1)[C@H]1C[C@H]1C ZINC000321479200 387249966 /nfs/dbraw/zinc/24/99/66/387249966.db2.gz IRFRAVWALFKMAM-VWYCJHECSA-N 1 0 226.320 0.479 10 0 BCAERO Cc1cnn(C)c1C[NH2+][C@@H]1CCO[C@H]1C ZINC000286245672 387319237 /nfs/dbraw/zinc/31/92/37/387319237.db2.gz ZSVKXJZBEPOEQY-VHSXEESVSA-N 1 0 209.293 0.996 10 0 BCAERO CC1CC([NH3+])([C@H]2CCS(=O)(=O)C2)C1 ZINC000575490545 387256443 /nfs/dbraw/zinc/25/64/43/387256443.db2.gz HOFDYPODZDQNOD-MGURRDGZSA-N 1 0 203.307 0.549 10 0 BCAERO C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CC(F)(F)CN2)C1 ZINC000645685078 387267809 /nfs/dbraw/zinc/26/78/09/387267809.db2.gz SNQJRGLJHWYQHG-RKDXNWHRSA-N 1 0 247.289 0.194 10 0 BCAERO CC(C)=C[C@H]([NH3+])[C@H]1CCCS1(=O)=O ZINC000575492745 387268996 /nfs/dbraw/zinc/26/89/96/387268996.db2.gz KVNMYWZBBPRSCG-DTWKUNHWSA-N 1 0 203.307 0.857 10 0 BCAERO C[C@@H](C(=O)Nc1csnn1)[C@H](C)[NH3+] ZINC000575492768 387269816 /nfs/dbraw/zinc/26/98/16/387269816.db2.gz LBNPWMKHBOZNHN-UHNVWZDZSA-N 1 0 200.267 0.460 10 0 BCAERO CCC[C@H](C(=O)NC[C@@](C)(O)CC)[NH+](C)C ZINC000120827671 387276078 /nfs/dbraw/zinc/27/60/78/387276078.db2.gz LUPPOLPPQHIMOJ-PWSUYJOCSA-N 1 0 230.352 0.994 10 0 BCAERO Cn1nnc(Br)c1[C@H](O)C1([NH3+])CC1 ZINC000575492028 387276349 /nfs/dbraw/zinc/27/63/49/387276349.db2.gz RSACWSANKUTYLJ-YFKPBYRVSA-N 1 0 247.096 0.102 10 0 BCAERO Cn1cccc1C[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000121085390 387294000 /nfs/dbraw/zinc/29/40/00/387294000.db2.gz FIUOWEQXVBHLPA-AWEZNQCLSA-N 1 0 249.358 0.932 10 0 BCAERO CC(C)OC[C@H](O)C[NH2+][C@H]1CCC(=O)N[C@@H]1C ZINC000392925784 387300972 /nfs/dbraw/zinc/30/09/72/387300972.db2.gz MENUZGHJFRJARJ-MXWKQRLJSA-N 1 0 244.335 0.029 10 0 BCAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]Cc1ccc(CO)cc1 ZINC000392990824 387306585 /nfs/dbraw/zinc/30/65/85/387306585.db2.gz ZACOOTRMTWYCGY-GWCFXTLKSA-N 1 0 248.326 0.936 10 0 BCAERO C[C@H]1NC(=O)CC[C@H]1[NH2+]CC(=O)NC(C)(C)C ZINC000393002397 387307472 /nfs/dbraw/zinc/30/74/72/387307472.db2.gz LVWUMMSLEOOUSF-RKDXNWHRSA-N 1 0 241.335 0.158 10 0 BCAERO C[C@@H]1C[C@@H](O)C[N@H+](C[C@@H](O)C(F)(F)F)C1 ZINC000401908233 387375233 /nfs/dbraw/zinc/37/52/33/387375233.db2.gz PFZWTTZSNOCZCV-BWZBUEFSSA-N 1 0 227.226 0.612 10 0 BCAERO C/C(=C/[C@H]1CCCCS1(=O)=O)C[NH3+] ZINC000575496562 387333872 /nfs/dbraw/zinc/33/38/72/387333872.db2.gz OXPFHNJQCJEOJE-JGAIRUGNSA-N 1 0 203.307 0.859 10 0 BCAERO C[C@H]([NH3+])[C@H](O)c1cc(Br)nn1C ZINC000575500973 387350695 /nfs/dbraw/zinc/35/06/95/387350695.db2.gz WKAKMWPVHUNVGW-FFWSUHOLSA-N 1 0 234.097 0.563 10 0 BCAERO C[C@@H]1CS[C@](C)([C@H]2C[NH2+]CCO2)N1 ZINC000575517894 387433680 /nfs/dbraw/zinc/43/36/80/387433680.db2.gz NXEIBGMJBPATLK-IWSPIJDZSA-N 1 0 202.323 0.416 10 0 BCAERO CC(=C1CCS(=O)(=O)CC1)[C@H](C)[NH3+] ZINC000575518208 387437203 /nfs/dbraw/zinc/43/72/03/387437203.db2.gz QPBQSSNISBQTBT-QMMMGPOBSA-N 1 0 203.307 0.859 10 0 BCAERO NC(=S)C[C@H]1CC[N@@H+]([C@H]2CCOC2)C1 ZINC000306577717 387437317 /nfs/dbraw/zinc/43/73/17/387437317.db2.gz LMUHSECULUIQCX-BDAKNGLRSA-N 1 0 214.334 0.773 10 0 BCAERO CC1(S(=O)(=O)N2CCC[C@H]2[NH3+])CC1 ZINC000575513595 387387680 /nfs/dbraw/zinc/38/76/80/387387680.db2.gz CWSAMGHASVEUSH-ZETCQYMHSA-N 1 0 204.295 0.249 10 0 BCAERO Cn1nc(Br)cc1[C@@H]1C[C@H]([NH3+])CO1 ZINC000575509203 387392190 /nfs/dbraw/zinc/39/21/90/387392190.db2.gz SPCXLWIKJYFHHA-FSPLSTOPSA-N 1 0 246.108 0.971 10 0 BCAERO CO[C@H]1C[NH2+][C@@H](C(=O)NCc2nccs2)C1 ZINC000041013346 387499909 /nfs/dbraw/zinc/49/99/09/387499909.db2.gz CAGQFSZDKYVCLA-HTQZYQBOSA-N 1 0 241.316 0.136 10 0 BCAERO Cc1cc(CNC(=O)[C@H]2CCC[C@@H]2C[NH3+])[nH]n1 ZINC000648079671 387507024 /nfs/dbraw/zinc/50/70/24/387507024.db2.gz JQTKTSHPMBPVLM-KOLCDFICSA-N 1 0 236.319 0.709 10 0 BCAERO Cc1cc(CNC(=O)[C@@H]2CCC[C@@H]2C[NH3+])[nH]n1 ZINC000648079672 387508358 /nfs/dbraw/zinc/50/83/58/387508358.db2.gz JQTKTSHPMBPVLM-MWLCHTKSSA-N 1 0 236.319 0.709 10 0 BCAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)NCc1cc(C)n[nH]1 ZINC000648079600 387508988 /nfs/dbraw/zinc/50/89/88/387508988.db2.gz CNBDYMXWUHZHGE-GMSGAONNSA-N 1 0 224.308 0.708 10 0 BCAERO Cc1cc(CNC(=O)[C@H]2CC[C@@H]([NH3+])C2)[nH]n1 ZINC000648079855 387511382 /nfs/dbraw/zinc/51/13/82/387511382.db2.gz YPBPCJWAWFLWIK-DTWKUNHWSA-N 1 0 222.292 0.462 10 0 BCAERO CCOCCN1CCO[C@@H](C[NH+](C)C)C1 ZINC000105926387 387525639 /nfs/dbraw/zinc/52/56/39/387525639.db2.gz IXNVEBLKURUCHO-NSHDSACASA-N 1 0 216.325 0.285 10 0 BCAERO Cn1ncc(N2CC[C@@H]2C[NH3+])c1Br ZINC000575527083 387533372 /nfs/dbraw/zinc/53/33/72/387533372.db2.gz COOBWQHRUYPJMH-ZCFIWIBFSA-N 1 0 245.124 0.720 10 0 BCAERO C[C@@H]1CN(C)C[C@H](CNC(=O)C(F)(F)F)O1 ZINC000575526633 387535166 /nfs/dbraw/zinc/53/51/66/387535166.db2.gz XEBSOZLCZJXDPI-RQJHMYQMSA-N 1 0 240.225 0.384 10 0 BCAERO COC1(C[N@@H+]2CCO[C@@H](CO)C2)CCCC1 ZINC000361551092 387485500 /nfs/dbraw/zinc/48/55/00/387485500.db2.gz IEQKFKIVORSZFZ-LLVKDONJSA-N 1 0 229.320 0.639 10 0 BCAERO C[C@@]12C[NH2+]C[C@@H]1CN(C(=O)C(F)(F)F)C2 ZINC000575545527 387628137 /nfs/dbraw/zinc/62/81/37/387628137.db2.gz MKEFRACLHGBTHQ-SVRRBLITSA-N 1 0 222.210 0.617 10 0 BCAERO C[C@H]1CCN1C(=O)[C@H]1C[NH2+]CCS1 ZINC000575536803 387584962 /nfs/dbraw/zinc/58/49/62/387584962.db2.gz AKCDWDIFAONORV-JGVFFNPUSA-N 1 0 200.307 0.312 10 0 BCAERO CC[C@H](CCO)[NH2+]Cc1c(C)nn(C)c1OC ZINC000123812983 387595863 /nfs/dbraw/zinc/59/58/63/387595863.db2.gz RDYJKPXLKLILRV-SNVBAGLBSA-N 1 0 241.335 0.988 10 0 BCAERO CO[C@H]1C[C@@H](CO)[N@H+](Cc2ccnc(C)c2)C1 ZINC000527537750 387607155 /nfs/dbraw/zinc/60/71/55/387607155.db2.gz BHNLHGPYQUUWQN-STQMWFEESA-N 1 0 236.315 0.972 10 0 BCAERO C[NH+](C)C[C@H]1CN(CCC2OCCO2)CCO1 ZINC000124211850 387607666 /nfs/dbraw/zinc/60/76/66/387607666.db2.gz SERJVHUTPSBWOD-NSHDSACASA-N 1 0 244.335 0.012 10 0 BCAERO C[NH+](C)C[C@H]1CN(C(=O)[C@H]2CC2(C)C)CCO1 ZINC000124249571 387610094 /nfs/dbraw/zinc/61/00/94/387610094.db2.gz OKHIAWANVGBSPP-WDEREUQCSA-N 1 0 240.347 0.822 10 0 BCAERO C[NH+](C)C[C@@H]1CN(C(=O)NCC2CC2)CCO1 ZINC000117029323 387549833 /nfs/dbraw/zinc/54/98/33/387549833.db2.gz VLRYOUWUPOXNAM-LLVKDONJSA-N 1 0 241.335 0.368 10 0 BCAERO CC(C)C[C@]1([NH3+])CCS(=O)(=O)[C@H]1C ZINC000575550176 387642412 /nfs/dbraw/zinc/64/24/12/387642412.db2.gz QKDFXFRTFFNGQF-DTWKUNHWSA-N 1 0 205.323 0.937 10 0 BCAERO C[C@@H]1C[C@]1(C[NH3+])[C@H]1CCS(=O)(=O)C1 ZINC000575550331 387643801 /nfs/dbraw/zinc/64/38/01/387643801.db2.gz SMGZTXFBKCCVNZ-HRDYMLBCSA-N 1 0 203.307 0.406 10 0 BCAERO Cc1nn(C)cc1C[NH2+][C@@H]1CCCNC1=O ZINC000126010845 387671852 /nfs/dbraw/zinc/67/18/52/387671852.db2.gz PZJYLJTVURNZTN-SNVBAGLBSA-N 1 0 222.292 0.097 10 0 BCAERO C[C@@H]([NH3+])CCNC(=O)c1cn2c(n1)CCCC2 ZINC000422787201 387687885 /nfs/dbraw/zinc/68/78/85/387687885.db2.gz RJJZIIHTVWBFPY-SECBINFHSA-N 1 0 236.319 0.687 10 0 BCAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]CCN1CCCCC1 ZINC000440943769 387713738 /nfs/dbraw/zinc/71/37/38/387713738.db2.gz RKKVZEYNWXPIIG-RYUDHWBXSA-N 1 0 239.363 0.729 10 0 BCAERO Nc1nnnn1[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000306353290 387731517 /nfs/dbraw/zinc/73/15/17/387731517.db2.gz PHYPRTYMOLIXCM-NSHDSACASA-N 1 0 244.302 0.702 10 0 BCAERO Cc1ccnc(N2CCO[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000169207680 387793908 /nfs/dbraw/zinc/79/39/08/387793908.db2.gz IGIOJCWEOUVRGP-MNOVXSKESA-N 1 0 221.304 0.942 10 0 BCAERO COC[C@H](C)NC(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000019802737 387794337 /nfs/dbraw/zinc/79/43/37/387794337.db2.gz RCDXEJPNKAXRRW-JQWIXIFHSA-N 1 0 236.315 0.708 10 0 BCAERO Cc1ccoc1C(=O)NC[C@@H]1CN(C)CCO1 ZINC000194628232 387888594 /nfs/dbraw/zinc/88/85/94/387888594.db2.gz CEXJTOFLOSLCGM-SNVBAGLBSA-N 1 0 238.287 0.648 10 0 BCAERO CC[C@](C)(O)C[N@H+](C)CCCC(=O)NC ZINC000162047095 387910661 /nfs/dbraw/zinc/91/06/61/387910661.db2.gz UMRLRSQRRTZXBR-NSHDSACASA-N 1 0 216.325 0.605 10 0 BCAERO C[C@@H]([NH2+]C[C@H]1CN(C)CCO1)[C@H]1C[C@H]1C ZINC000321044805 387937308 /nfs/dbraw/zinc/93/73/08/387937308.db2.gz FVEHEPRYPARTAS-WYUUTHIRSA-N 1 0 212.337 0.951 10 0 BCAERO CN1C(=O)C[C@H](C[NH3+])[C@@H]1c1cccnc1 ZINC000238299848 387932693 /nfs/dbraw/zinc/93/26/93/387932693.db2.gz ZEMJKHDUMSCSIO-KOLCDFICSA-N 1 0 205.261 0.560 10 0 BCAERO C[C@@]1(O)CCC[N@H+](C[C@H]2CNC(=O)O2)CC1 ZINC000300238049 387921399 /nfs/dbraw/zinc/92/13/99/387921399.db2.gz IGHMNUGUBMHGGH-MWLCHTKSSA-N 1 0 228.292 0.332 10 0 BCAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1CCOCCO ZINC000245423674 387944738 /nfs/dbraw/zinc/94/47/38/387944738.db2.gz JPTNAFRDUFIVQA-OLZOCXBDSA-N 1 0 242.363 0.554 10 0 BCAERO CC(C)n1nnnc1C[NH2+][C@H]1CCOC[C@H]1C ZINC000433184204 387966713 /nfs/dbraw/zinc/96/67/13/387966713.db2.gz XQTALKMDTPZLFA-ZJUUUORDSA-N 1 0 239.323 0.769 10 0 BCAERO COC(=O)[C@@H](C)NC(=O)[C@@H]1CCC[NH2+][C@H]1C ZINC000423191379 387975281 /nfs/dbraw/zinc/97/52/81/387975281.db2.gz SRYHUNINLODUJI-DJLDLDEBSA-N 1 0 228.292 0.052 10 0 BCAERO CC[N@@H+]1CC[C@@H](CNC(=O)[C@H](C)COC)C1 ZINC000245820217 387986072 /nfs/dbraw/zinc/98/60/72/387986072.db2.gz LGFLSFQWWQZJKY-MNOVXSKESA-N 1 0 228.336 0.727 10 0 BCAERO C[C@H]1C[N@H+](C[C@@H](O)Cn2cccn2)CCS1 ZINC000245839898 387986252 /nfs/dbraw/zinc/98/62/52/387986252.db2.gz YFMKJSJMSMUJKP-WDEREUQCSA-N 1 0 241.360 0.681 10 0 BCAERO CCNC(=O)CN1C[C@@H]2CCC[N@@H+]2C[C@H]1CC ZINC000246215337 388020087 /nfs/dbraw/zinc/02/00/87/388020087.db2.gz CVKXFNZQACDRRM-NEPJUHHUSA-N 1 0 239.363 0.681 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)NC(C)(C)COC ZINC000156680923 388020143 /nfs/dbraw/zinc/02/01/43/388020143.db2.gz RHBUOLNALUHYQI-MRVPVSSYSA-N 1 0 202.298 0.655 10 0 BCAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1CC(=O)NC ZINC000246207785 388020244 /nfs/dbraw/zinc/02/02/44/388020244.db2.gz BYHCOTSUQUTXTM-QWRGUYRKSA-N 1 0 225.336 0.291 10 0 BCAERO CC[C@H](O)C[N@@H+]1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000246213683 388021708 /nfs/dbraw/zinc/02/17/08/388021708.db2.gz YVEAECSXHCYZJC-FRRDWIJNSA-N 1 0 242.363 0.410 10 0 BCAERO C[C@@H](O)C1CCN(C(=O)[C@H]2CCC[NH2+]C2)CC1 ZINC000082280869 388022672 /nfs/dbraw/zinc/02/26/72/388022672.db2.gz UTAGHZVGYZXYQL-PWSUYJOCSA-N 1 0 240.347 0.605 10 0 BCAERO C[C@H]1C[NH2+]CCN1c1ccnc(N(C)C)n1 ZINC000082924376 388043327 /nfs/dbraw/zinc/04/33/27/388043327.db2.gz KGGCKKQXBJSESC-VIFPVBQESA-N 1 0 221.308 0.341 10 0 BCAERO CCCc1nsc(N2CCO[C@H](C[NH3+])C2)n1 ZINC000083651178 388058210 /nfs/dbraw/zinc/05/82/10/388058210.db2.gz PMXQMSROXKBUML-MRVPVSSYSA-N 1 0 242.348 0.655 10 0 BCAERO CCc1nnc(CN2CC[NH+](C)CC2)n1C ZINC000195006525 388081328 /nfs/dbraw/zinc/08/13/28/388081328.db2.gz VXDJCPWONBHKPO-UHFFFAOYSA-N 1 0 223.324 0.125 10 0 BCAERO [NH3+][C@@H]1CC[C@H](C(=O)NCCn2ccnc2)C1 ZINC000085012004 388082862 /nfs/dbraw/zinc/08/28/62/388082862.db2.gz ZAQNCFYKYCNTDL-VHSXEESVSA-N 1 0 222.292 0.127 10 0 BCAERO C[NH2+][C@H]1CCCN(c2ccnc(N(C)C)n2)C1 ZINC000085432121 388088201 /nfs/dbraw/zinc/08/82/01/388088201.db2.gz KECHOVQCDOFIHX-JTQLQIEISA-N 1 0 235.335 0.731 10 0 BCAERO CN(C)c1nccc(NC[C@H]2CCC[NH2+]C2)n1 ZINC000085432098 388088404 /nfs/dbraw/zinc/08/84/04/388088404.db2.gz UMUPFLMAUICRSK-JTQLQIEISA-N 1 0 235.335 0.954 10 0 BCAERO C[NH2+]C[C@@H]1CCCN1c1cc(OC)ncn1 ZINC000085481620 388089732 /nfs/dbraw/zinc/08/97/32/388089732.db2.gz FMOHGQGUZPIMSQ-VIFPVBQESA-N 1 0 222.292 0.673 10 0 BCAERO C[C@@H]([NH3+])CC(=O)N1CCOCC1(C)C ZINC000042463016 388094496 /nfs/dbraw/zinc/09/44/96/388094496.db2.gz JOSNPVOPRVPGIK-MRVPVSSYSA-N 1 0 200.282 0.361 10 0 BCAERO COc1ccnc(N(C)CC(C)(C)C[NH3+])n1 ZINC000086638566 388105998 /nfs/dbraw/zinc/10/59/98/388105998.db2.gz IIPBRNKTPNMCGE-UHFFFAOYSA-N 1 0 224.308 0.906 10 0 BCAERO CSC[C@H](C)C(=O)N1CC[C@@H]([NH3+])[C@@H]1C ZINC000261527958 135152627 /nfs/dbraw/zinc/15/26/27/135152627.db2.gz IESRGESAIPBHMX-XHNCKOQMSA-N 1 0 216.350 0.934 10 0 BCAERO CC(C)(C[NH3+])C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000086932098 388110735 /nfs/dbraw/zinc/11/07/35/388110735.db2.gz MXDIJEPSDPMADA-SNVBAGLBSA-N 1 0 225.336 0.278 10 0 BCAERO Cc1c(C[NH2+]CCC[S@@](C)=O)cnn1C ZINC000160149391 388048498 /nfs/dbraw/zinc/04/84/98/388048498.db2.gz FGFJHIMIYOEFSZ-HNNXBMFYSA-N 1 0 229.349 0.587 10 0 BCAERO CC(C)(C)[C@@H](O)CNC(=O)[C@@H]1[NH2+]CC1(C)C ZINC000646239805 388169416 /nfs/dbraw/zinc/16/94/16/388169416.db2.gz WIPUGJBXVQANGH-IUCAKERBSA-N 1 0 228.336 0.508 10 0 BCAERO C[C@H]1CN(c2ncncc2Cl)C[C@H]1[NH3+] ZINC000261528369 135153547 /nfs/dbraw/zinc/15/35/47/135153547.db2.gz KXNGYERYHCWEQM-POYBYMJQSA-N 1 0 212.684 0.913 10 0 BCAERO Cc1cnc([C@H](C)NC(=O)[C@H]2C[C@H](F)C[NH2+]2)o1 ZINC000646297552 388178260 /nfs/dbraw/zinc/17/82/60/388178260.db2.gz OIPRDSSTADOPKX-XHNCKOQMSA-N 1 0 241.266 0.860 10 0 BCAERO COCC(COC)[NH2+]C[C@@H](O)C(C)(C)C ZINC000324475276 388120974 /nfs/dbraw/zinc/12/09/74/388120974.db2.gz HTJUCKYOIAETHB-SNVBAGLBSA-N 1 0 219.325 0.644 10 0 BCAERO COCC(COC)[NH2+]C[C@H](O)C(C)(C)C ZINC000324475275 388121055 /nfs/dbraw/zinc/12/10/55/388121055.db2.gz HTJUCKYOIAETHB-JTQLQIEISA-N 1 0 219.325 0.644 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)N(C)Cc1cnccn1 ZINC000646030586 388129075 /nfs/dbraw/zinc/12/90/75/388129075.db2.gz WLPXCPRQSVMWOL-LLVKDONJSA-N 1 0 236.319 0.808 10 0 BCAERO COC[C@@H]1CN(C(=O)[C@H]([NH3+])CC(C)C)CCO1 ZINC000646074987 388137387 /nfs/dbraw/zinc/13/73/87/388137387.db2.gz AIJUWQLGRSFGEH-WDEREUQCSA-N 1 0 244.335 0.234 10 0 BCAERO COCCCNC(=O)C[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000646093656 388141706 /nfs/dbraw/zinc/14/17/06/388141706.db2.gz GDXQWMALBVAELF-QJPTWQEYSA-N 1 0 240.347 0.917 10 0 BCAERO CC[C@H]1CCN(C(=O)[C@H]([NH3+])COC)C1 ZINC000166170384 388254616 /nfs/dbraw/zinc/25/46/16/388254616.db2.gz BADSSKDWVBDQMC-DTWKUNHWSA-N 1 0 200.282 0.219 10 0 BCAERO CC1CC[NH+](CCN2CCO[C@@H](CO)C2)CC1 ZINC000489895440 388227873 /nfs/dbraw/zinc/22/78/73/388227873.db2.gz GYCNYBKQJIEYNL-CYBMUJFWSA-N 1 0 242.363 0.411 10 0 BCAERO C[C@H](C(=O)N(C)C1C[NH2+]C1)C(F)(F)F ZINC000261528747 135154310 /nfs/dbraw/zinc/15/43/10/135154310.db2.gz VULAJVIUNKNAST-RXMQYKEDSA-N 1 0 210.199 0.615 10 0 BCAERO CCO[C@H](C)C(=O)NC[C@@H]1CC[NH2+]C1 ZINC000261528705 135154340 /nfs/dbraw/zinc/15/43/40/135154340.db2.gz UEMTVZWDQQUWCM-RKDXNWHRSA-N 1 0 200.282 0.137 10 0 BCAERO CC(C)(C)OC(=O)N1C[C@H]([NH3+])[C@H]2COC[C@@H]21 ZINC000215501953 256586394 /nfs/dbraw/zinc/58/63/94/256586394.db2.gz DPIYNHZJLANOBC-VGMNWLOBSA-N 1 0 228.292 0.579 10 0 BCAERO CC[C@](C)([NH3+])C(=O)N[C@@H]1CCO[C@H]1C ZINC000251224586 388265907 /nfs/dbraw/zinc/26/59/07/388265907.db2.gz GMJAPRNJUCQGPA-XKSSXDPKSA-N 1 0 200.282 0.407 10 0 BCAERO [NH3+]CCN1CCC[C@](O)(C(F)(F)F)C1 ZINC000261529133 135155268 /nfs/dbraw/zinc/15/52/68/135155268.db2.gz PHQDVXLAPUEKMI-SSDOTTSWSA-N 1 0 212.215 0.334 10 0 BCAERO COC[C@H](C)NC(=O)C[NH2+]Cc1ccccc1 ZINC000042221795 388274185 /nfs/dbraw/zinc/27/41/85/388274185.db2.gz FCXPQYUXGRXTRI-NSHDSACASA-N 1 0 236.315 0.927 10 0 BCAERO [NH3+][C@@H]1CC[C@@H]1C1CCS(=O)(=O)CC1 ZINC000575518540 388354812 /nfs/dbraw/zinc/35/48/12/388354812.db2.gz YSCYTTKZCYVXKR-RKDXNWHRSA-N 1 0 203.307 0.549 10 0 BCAERO C[C@@H]1CC[C@H](C[NH3+])N([S@](C)=O)[C@H]1C ZINC000575519222 388356340 /nfs/dbraw/zinc/35/63/40/388356340.db2.gz HSTKCMJKNMGULY-VXFNFUGZSA-N 1 0 204.339 0.728 10 0 BCAERO CC1(C)C[NH2+][C@@H]1C(=O)NC[C@H]1CCC[C@@H]1O ZINC000646428441 388357401 /nfs/dbraw/zinc/35/74/01/388357401.db2.gz NBDNENFVCFHSCG-KXUCPTDWSA-N 1 0 226.320 0.262 10 0 BCAERO COC[C@H](C)OC[C@H](O)C[NH2+][C@@H]1CCO[C@@H]1C ZINC000234848677 388361775 /nfs/dbraw/zinc/36/17/75/388361775.db2.gz PDVZJWKEPXSADC-IRCOFANPSA-N 1 0 247.335 0.166 10 0 BCAERO CCN(C)C(=O)C[NH2+]C[C@H](O)C(C)(C)C ZINC000308777612 388364236 /nfs/dbraw/zinc/36/42/36/388364236.db2.gz JBGLGRTZSVYGQV-VIFPVBQESA-N 1 0 216.325 0.461 10 0 BCAERO COC(=O)[C@@H](C)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261534067 135165450 /nfs/dbraw/zinc/16/54/50/135165450.db2.gz LRQDWZAIWGOJML-RKDXNWHRSA-N 1 0 214.309 0.607 10 0 BCAERO C[NH2+]Cc1nnc(-c2ccnnc2)s1 ZINC000132684066 388366917 /nfs/dbraw/zinc/36/69/17/388366917.db2.gz ZNXJEBZEESEBFY-UHFFFAOYSA-N 1 0 207.262 0.715 10 0 BCAERO Cc1cnn(CC[NH2+]Cc2cnccn2)c1 ZINC000235949526 388376381 /nfs/dbraw/zinc/37/63/81/388376381.db2.gz IYUXHENZFWVBER-UHFFFAOYSA-N 1 0 217.276 0.771 10 0 BCAERO Cc1nccc(C(=O)N[C@@H]2CCC[NH2+][C@H]2C)n1 ZINC000193579230 388382660 /nfs/dbraw/zinc/38/26/60/388382660.db2.gz WQGSANQINBMFPE-WCBMZHEXSA-N 1 0 234.303 0.655 10 0 BCAERO CSC[C@@H](C)C(=O)N1CCC[C@H]1C[NH3+] ZINC000237354536 388393536 /nfs/dbraw/zinc/39/35/36/388393536.db2.gz HLOANOWLBILFSD-BDAKNGLRSA-N 1 0 216.350 0.935 10 0 BCAERO CC(C)[C@@H]([NH3+])C(=O)N[C@@H]1CCO[C@H]1C ZINC000134254950 388397238 /nfs/dbraw/zinc/39/72/38/388397238.db2.gz LQWMHXNXIKRBBP-DJLDLDEBSA-N 1 0 200.282 0.263 10 0 BCAERO CC(C)[C@@H]([NH3+])C(=O)N[C@@H]1CCO[C@@H]1C ZINC000134254931 388397496 /nfs/dbraw/zinc/39/74/96/388397496.db2.gz LQWMHXNXIKRBBP-IWSPIJDZSA-N 1 0 200.282 0.263 10 0 BCAERO CCN1CCC([NH2+][C@H]2CCC(=O)N[C@@H]2C)CC1 ZINC000334669914 388446338 /nfs/dbraw/zinc/44/63/38/388446338.db2.gz UMFPMCZFBAKEGD-PWSUYJOCSA-N 1 0 239.363 0.727 10 0 BCAERO C[C@@H]1CC[C@H]([NH3+])[C@H](SCC(N)=O)C1 ZINC000300868189 388459994 /nfs/dbraw/zinc/45/99/94/388459994.db2.gz WRWKHUIAXCMBTF-GJMOJQLCSA-N 1 0 202.323 0.721 10 0 BCAERO NC(=O)[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCOC1 ZINC000134982198 388481711 /nfs/dbraw/zinc/48/17/11/388481711.db2.gz RUGLMIZYYVIPPH-OPRDCNLKSA-N 1 0 212.293 0.409 10 0 BCAERO C[C@H](C[C@H](C)[NH3+])Nc1ncnc2nc[nH]c21 ZINC000165748667 388409874 /nfs/dbraw/zinc/40/98/74/388409874.db2.gz CQYWJQRYNNBUIR-NKWVEPMBSA-N 1 0 220.280 0.891 10 0 BCAERO CN(C)[C@@H](CNC1=[NH+]CCN1)c1ccsc1 ZINC000069350327 388414468 /nfs/dbraw/zinc/41/44/68/388414468.db2.gz BFESMADIZDAVLU-JTQLQIEISA-N 1 0 238.360 0.900 10 0 BCAERO C[C@@H]1[C@@H](O)CCC[N@@H+]1CCc1cn[nH]c1 ZINC000298049629 388433641 /nfs/dbraw/zinc/43/36/41/388433641.db2.gz IJWIBMNYNRHIIL-KOLCDFICSA-N 1 0 209.293 0.797 10 0 BCAERO O=C(N1CCCC1)N1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC000085960571 256776389 /nfs/dbraw/zinc/77/63/89/256776389.db2.gz FDOHOSYEZLWQHM-VHSXEESVSA-N 1 0 209.293 0.496 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCCOC(C)(C)C1 ZINC000378914993 388543680 /nfs/dbraw/zinc/54/36/80/388543680.db2.gz YDPWXQPIDREMBN-GHMZBOCLSA-N 1 0 240.347 0.869 10 0 BCAERO COC[C@]1(C(=O)NCc2cccnc2)CCC[NH2+]1 ZINC000649275598 388492591 /nfs/dbraw/zinc/49/25/91/388492591.db2.gz REJBQXLUIZCNSJ-ZDUSSCGKSA-N 1 0 249.314 0.466 10 0 BCAERO O=C(Nc1ccccn1)[C@H]1C[NH2+]CCOC1 ZINC000649276319 388496108 /nfs/dbraw/zinc/49/61/08/388496108.db2.gz LVGSDKMHXWSKHP-VIFPVBQESA-N 1 0 221.260 0.256 10 0 BCAERO CO[C@@H]1C[C@@H](CO)[N@H+](CC2CCOCC2)C1 ZINC000343955850 388503491 /nfs/dbraw/zinc/50/34/91/388503491.db2.gz NZDBDHFOPXPKRL-NWDGAFQWSA-N 1 0 229.320 0.495 10 0 BCAERO CO[C@H]1C[C@H](CO)[N@H+](CCn2ccnc2C)C1 ZINC000344725085 388509419 /nfs/dbraw/zinc/50/94/19/388509419.db2.gz SCJVNPLRFCWUHG-NEPJUHHUSA-N 1 0 239.319 0.273 10 0 BCAERO CO[C@@H]1C[C@H](CO)[N@H+](CCc2ccnn2C)C1 ZINC000344668456 388509490 /nfs/dbraw/zinc/50/94/90/388509490.db2.gz ARBXJBGEOQNLDE-VXGBXAGGSA-N 1 0 239.319 0.044 10 0 BCAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]CCc1cnn(C)c1 ZINC000348347663 388527954 /nfs/dbraw/zinc/52/79/54/388527954.db2.gz KSAHYNXIGJXLKF-GXSJLCMTSA-N 1 0 236.319 0.219 10 0 BCAERO CO[C@@H]1C[C@@H](CO)[N@H+](Cc2ccncc2C)C1 ZINC000528498920 388535100 /nfs/dbraw/zinc/53/51/00/388535100.db2.gz WOQWJRASIFVHCV-QWHCGFSZSA-N 1 0 236.315 0.972 10 0 BCAERO C[C@H]([NH2+]C[C@@H]1CN(C)CCO1)[C@H]1CCCCO1 ZINC000379163937 388593105 /nfs/dbraw/zinc/59/31/05/388593105.db2.gz ICSCPEQOCRAGFY-YNEHKIRRSA-N 1 0 242.363 0.864 10 0 BCAERO C[C@H](O)CN1CC[N@H+](CC2CC2)C[C@@H]1C ZINC000246051120 388614501 /nfs/dbraw/zinc/61/45/01/388614501.db2.gz QCTXGEYVXPYXMS-QWRGUYRKSA-N 1 0 212.337 0.783 10 0 BCAERO OCc1ccc(C[NH2+][C@H]2CCOC[C@H]2O)cc1 ZINC000630073292 388615547 /nfs/dbraw/zinc/61/55/47/388615547.db2.gz CPTQNCOPHBJGGY-QWHCGFSZSA-N 1 0 237.299 0.418 10 0 BCAERO CCOC[C@@H]1C[N@H+](CC2(O)CCC2)CCO1 ZINC000528722708 388562103 /nfs/dbraw/zinc/56/21/03/388562103.db2.gz OEHQWLGBEIHVMF-NSHDSACASA-N 1 0 229.320 0.639 10 0 BCAERO CSCCC[N@@H+]1CCC[C@](O)(C(N)=O)C1 ZINC000368489725 388569017 /nfs/dbraw/zinc/56/90/17/388569017.db2.gz FLECLVOFBFZVNK-SNVBAGLBSA-N 1 0 232.349 0.052 10 0 BCAERO CCC[C@@H](C(=O)NCC(F)(F)CO)[NH+](C)C ZINC000183876649 388571195 /nfs/dbraw/zinc/57/11/95/388571195.db2.gz ACABQEZWUYVQFC-QMMMGPOBSA-N 1 0 238.278 0.461 10 0 BCAERO CC[N@@H+]1CCC[C@H]1CN(C)[C@H](C)C(N)=O ZINC000245424495 388577790 /nfs/dbraw/zinc/57/77/90/388577790.db2.gz KCYQVRSLKLHTJC-ZJUUUORDSA-N 1 0 213.325 0.276 10 0 BCAERO COC[C@H](C)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000261548108 135241564 /nfs/dbraw/zinc/24/15/64/135241564.db2.gz MZSRVYYINTZQIA-ONGXEEELSA-N 1 0 214.309 0.466 10 0 BCAERO Cn1ncnc1CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000246155565 388620084 /nfs/dbraw/zinc/62/00/84/388620084.db2.gz IBWQQYFWVAAUAM-JTQLQIEISA-N 1 0 221.308 0.095 10 0 BCAERO CC(C)OCC[N@@H+]1CCCNC(=O)[C@H]1C ZINC000189285925 388629337 /nfs/dbraw/zinc/62/93/37/388629337.db2.gz AGXUPLAANXIEQK-SNVBAGLBSA-N 1 0 214.309 0.622 10 0 BCAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)CN(C)C)C1 ZINC000246323028 388630146 /nfs/dbraw/zinc/63/01/46/388630146.db2.gz FSTISTNFMUFNCW-WDEREUQCSA-N 1 0 227.352 0.393 10 0 BCAERO O=C(c1ccccn1)N1CC[C@H]2OCC[NH2+][C@H]2C1 ZINC000403973106 388631183 /nfs/dbraw/zinc/63/11/83/388631183.db2.gz CGILMCBJZTYNHV-NWDGAFQWSA-N 1 0 247.298 0.285 10 0 BCAERO CCCC(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000246613568 388646453 /nfs/dbraw/zinc/64/64/53/388646453.db2.gz CNAIPALQKKLYLJ-QWRGUYRKSA-N 1 0 228.336 0.700 10 0 BCAERO CC[C@@](C)(O)C[N@@H+]1CCN(CCOC)[C@H](C)C1 ZINC000123541154 388655428 /nfs/dbraw/zinc/65/54/28/388655428.db2.gz FFPPNURBMBXTPM-CHWSQXEVSA-N 1 0 244.379 0.800 10 0 BCAERO O=S1(=O)CCC[C@H]1C[C@H]1CCC[NH2+]1 ZINC000575450708 388736414 /nfs/dbraw/zinc/73/64/14/388736414.db2.gz RAVQZQWKLGEGNB-BDAKNGLRSA-N 1 0 203.307 0.706 10 0 BCAERO C[N@H+](CCCCCO)C[C@@H]1CNC(=O)O1 ZINC000227119973 388742654 /nfs/dbraw/zinc/74/26/54/388742654.db2.gz CNHHGBFDGXERFB-VIFPVBQESA-N 1 0 216.281 0.189 10 0 BCAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)C(C)(C)O)C1 ZINC000248656959 388688147 /nfs/dbraw/zinc/68/81/47/388688147.db2.gz FDVJPLIEWWQZJD-VHSXEESVSA-N 1 0 228.336 0.602 10 0 BCAERO C[C@@H]1COCC[C@@H]1C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000248750381 388692120 /nfs/dbraw/zinc/69/21/20/388692120.db2.gz GUCNQFJFTDVXPN-UTUOFQBUSA-N 1 0 240.347 0.822 10 0 BCAERO Cc1nsc(NC(=O)N2CCC([NH3+])CC2)n1 ZINC000055270048 388694663 /nfs/dbraw/zinc/69/46/63/388694663.db2.gz WZMANWULEFEGMY-UHFFFAOYSA-N 1 0 241.320 0.802 10 0 BCAERO Cn1cc(CN2C[C@@H](F)C[C@@H]2C[NH3+])cn1 ZINC000396531702 388702895 /nfs/dbraw/zinc/70/28/95/388702895.db2.gz UTCSLRWTGRCPOO-VHSXEESVSA-N 1 0 212.272 0.291 10 0 BCAERO C[C@@H]([NH3+])CCNC(=O)Cc1ccccc1O ZINC000087797854 388710903 /nfs/dbraw/zinc/71/09/03/388710903.db2.gz WMCFPVAFLBHUQD-SECBINFHSA-N 1 0 222.288 0.788 10 0 BCAERO CC[C@](C)(O)C[N@H+](C)C[C@H]1CCN(C(C)=O)C1 ZINC000249332847 388716431 /nfs/dbraw/zinc/71/64/31/388716431.db2.gz HRRRHVMYSIRTKZ-OLZOCXBDSA-N 1 0 242.363 0.948 10 0 BCAERO CC[C@@](C)(O)C[N@H+](C)C[C@H]1CCN(C(C)=O)C1 ZINC000249332843 388716772 /nfs/dbraw/zinc/71/67/72/388716772.db2.gz HRRRHVMYSIRTKZ-CHWSQXEVSA-N 1 0 242.363 0.948 10 0 BCAERO CCS(=O)(=O)N(C)[C@H]1CCC[NH2+]CC1 ZINC000226463350 388719645 /nfs/dbraw/zinc/71/96/45/388719645.db2.gz PXXAJUPVELEXCV-VIFPVBQESA-N 1 0 220.338 0.410 10 0 BCAERO [NH3+][C@@H]1COCC[C@H]1NC(=O)NCc1ccccc1 ZINC000575458357 388797798 /nfs/dbraw/zinc/79/77/98/388797798.db2.gz GOONFMAZRCVWNI-VXGBXAGGSA-N 1 0 249.314 0.602 10 0 BCAERO O[C@@H](c1cscn1)[C@H]1C[NH2+]CCS1 ZINC000575458429 388799983 /nfs/dbraw/zinc/79/99/83/388799983.db2.gz SLVYZUMEZAPPDQ-SFYZADRCSA-N 1 0 216.331 0.882 10 0 BCAERO O[C@@H](C1=COCC1)[C@H]1C[NH2+]CCS1 ZINC000575458847 388802737 /nfs/dbraw/zinc/80/27/37/388802737.db2.gz QYJWHCNNWRRMDF-BDAKNGLRSA-N 1 0 201.291 0.357 10 0 BCAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2(O)CCC2)C1 ZINC000253153371 388807324 /nfs/dbraw/zinc/80/73/24/388807324.db2.gz UITBBABVVSHHLJ-GHMZBOCLSA-N 1 0 240.347 0.746 10 0 BCAERO CCCCOC[C@H](O)C[NH2+]CC1(C)COC1 ZINC000227894364 388761899 /nfs/dbraw/zinc/76/18/99/388761899.db2.gz RNYMSRQYMYLSNX-LLVKDONJSA-N 1 0 231.336 0.790 10 0 BCAERO O=C(NCc1ccccc1)[C@@H]1C[NH2+]CCOC1 ZINC000575461682 388817236 /nfs/dbraw/zinc/81/72/36/388817236.db2.gz AJWUPJMRRQJKMH-GFCCVEGCSA-N 1 0 234.299 0.539 10 0 BCAERO F[C@H]1CCN(C[C@H]2C[NH2+]CCS2)C1 ZINC000575461780 388817574 /nfs/dbraw/zinc/81/75/74/388817574.db2.gz LQCLIRHWPSKRIK-DTWKUNHWSA-N 1 0 204.314 0.735 10 0 BCAERO C[NH2+][C@@](C)(C(N)=O)c1ccc(OC)cc1 ZINC000037459039 388844485 /nfs/dbraw/zinc/84/44/85/388844485.db2.gz KQGVSNYJVAWLDR-LLVKDONJSA-N 1 0 208.261 0.615 10 0 BCAERO CO[C@@H]1C[C@@H](CO)[N@H+](CCc2ccncc2)C1 ZINC000284596542 388830661 /nfs/dbraw/zinc/83/06/61/388830661.db2.gz KZRLZNNAQKIKBX-QWHCGFSZSA-N 1 0 236.315 0.706 10 0 BCAERO O=S1(=O)CC[C@H](CC=C2C[NH2+]C2)C1 ZINC000575463921 388831459 /nfs/dbraw/zinc/83/14/59/388831459.db2.gz MMJBXWXZFWDXTB-QMMMGPOBSA-N 1 0 201.291 0.341 10 0 BCAERO CC(C)[C@@H](CCO)NC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000231081342 388834676 /nfs/dbraw/zinc/83/46/76/388834676.db2.gz YASBIAOSCJGXGE-GMTAPVOTSA-N 1 0 228.336 0.365 10 0 BCAERO Cc1cnn(CC[NH2+]CC2(C)COC2)c1 ZINC000231696551 388841700 /nfs/dbraw/zinc/84/17/00/388841700.db2.gz CZHKTLVOJVPCSZ-UHFFFAOYSA-N 1 0 209.293 0.818 10 0 BCAERO [NH3+][C@@H]1COC[C@@H]1[C@H](O)c1ccsn1 ZINC000575469449 388841754 /nfs/dbraw/zinc/84/17/54/388841754.db2.gz LRKQBGFEZKUUKF-BBVRLYRLSA-N 1 0 200.263 0.150 10 0 BCAERO CC[C@@H](C)C[N@@H+]1CCC[C@](O)(C(N)=O)C1 ZINC000375522268 388880385 /nfs/dbraw/zinc/88/03/85/388880385.db2.gz GNXPWROYYMRAAR-MWLCHTKSSA-N 1 0 214.309 0.345 10 0 BCAERO Cc1cn[nH]c1C[NH2+]C[C@@H]1CN(C)CCO1 ZINC000289551161 177670182 /nfs/dbraw/zinc/67/01/82/177670182.db2.gz QCKMSBZWEBLGCO-SNVBAGLBSA-N 1 0 224.308 0.138 10 0 BCAERO C[n+]1ccccc1C=C1CNC(=O)NC1 ZINC000005378012 322814705 /nfs/dbraw/zinc/81/47/05/322814705.db2.gz JSJYHOIMLPSMFN-UHFFFAOYSA-O 1 0 204.253 0.207 10 0 BCAERO O=C([C@@H]1CC[NH2+]C1)N1CCOCC12CCC2 ZINC000565783152 388968837 /nfs/dbraw/zinc/96/88/37/388968837.db2.gz UBLBMEMHLLRBEZ-SNVBAGLBSA-N 1 0 224.304 0.377 10 0 BCAERO C[C@H](C[NH2+]C[C@@H](O)C(C)(C)C)S(C)(=O)=O ZINC000566113870 388988603 /nfs/dbraw/zinc/98/86/03/388988603.db2.gz ZZQBAPZARSVKRF-RKDXNWHRSA-N 1 0 237.365 0.416 10 0 BCAERO Cn1nnc(Br)c1[C@H]1C[C@@H]([NH3+])CO1 ZINC000575506072 388991198 /nfs/dbraw/zinc/99/11/98/388991198.db2.gz CDYHSHYVQGIUJX-RFZPGFLSSA-N 1 0 247.096 0.366 10 0 BCAERO Cn1c(Cl)ncc1[C@@]1(O)CC[NH2+]C1 ZINC000575505916 388991341 /nfs/dbraw/zinc/99/13/41/388991341.db2.gz AOCMKCAPGDVWHS-MRVPVSSYSA-N 1 0 201.657 0.254 10 0 BCAERO NC(=[NH2+])c1cccnc1N1CCC(O)CC1 ZINC000019422774 132324835 /nfs/dbraw/zinc/32/48/35/132324835.db2.gz XYUPLTHUFWVRAA-UHFFFAOYSA-N 1 0 220.276 0.327 10 0 BCAERO C[C@H]1COCCN1c1ncccc1C[NH3+] ZINC000035773382 132339081 /nfs/dbraw/zinc/33/90/81/132339081.db2.gz FVPKOVBXUWUKAS-VIFPVBQESA-N 1 0 207.277 0.765 10 0 BCAERO CN1C(=O)C[C@@H]([NH2+]CCO)c2ccccc21 ZINC000037250690 132344235 /nfs/dbraw/zinc/34/42/35/132344235.db2.gz KPYWXFLQNJWDEA-SNVBAGLBSA-N 1 0 220.272 0.676 10 0 BCAERO C[C@@H]1CN(c2ccc(C[NH3+])nn2)C[C@@H](C)O1 ZINC000051396192 132360213 /nfs/dbraw/zinc/36/02/13/132360213.db2.gz BPYSGKGSRRBZLJ-RKDXNWHRSA-N 1 0 222.292 0.549 10 0 BCAERO C[C@@H]1CN(c2nccnc2C[NH3+])C[C@@H](C)O1 ZINC000054376881 132364181 /nfs/dbraw/zinc/36/41/81/132364181.db2.gz ANEXQWWBBMRBDU-RKDXNWHRSA-N 1 0 222.292 0.549 10 0 BCAERO CC1(C)COCCN1c1nccnc1C[NH3+] ZINC000054377590 132364518 /nfs/dbraw/zinc/36/45/18/132364518.db2.gz NIIWHMALLVOWKY-UHFFFAOYSA-N 1 0 222.292 0.551 10 0 BCAERO CSCCCC(=O)N1C[C@H]([NH3+])[C@@H](C)C1 ZINC000402018040 533535660 /nfs/dbraw/zinc/53/56/60/533535660.db2.gz CZZGZOSVUITICT-IUCAKERBSA-N 1 0 216.350 0.935 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1ccn(C)n1 ZINC000082559436 322824627 /nfs/dbraw/zinc/82/46/27/322824627.db2.gz XBPQMRXQYKCCFH-HTQZYQBOSA-N 1 0 208.265 0.214 10 0 BCAERO CC(C)CCC(=O)N1CCN([C@@H](C)C[NH3+])CC1 ZINC000104073433 166789414 /nfs/dbraw/zinc/78/94/14/166789414.db2.gz YTKNBXSTFYBOMA-LBPRGKRZSA-N 1 0 241.379 0.914 10 0 BCAERO C[NH2+]C[C@@H]1CCCN(c2nccc(OC)n2)C1 ZINC000040602138 132223846 /nfs/dbraw/zinc/22/38/46/132223846.db2.gz MTALWHQYJURONQ-JTQLQIEISA-N 1 0 236.319 0.921 10 0 BCAERO [NH3+]C[C@H]1CN(c2ccc(Cl)cn2)CCO1 ZINC000041059071 132223865 /nfs/dbraw/zinc/22/38/65/132223865.db2.gz JYRBOMMVZNHKIH-VIFPVBQESA-N 1 0 227.695 0.899 10 0 BCAERO COc1cc(N2CC[C@@H]([NH3+])[C@H](C)C2)ncn1 ZINC000251640829 132232367 /nfs/dbraw/zinc/23/23/67/132232367.db2.gz FXMXHQWOHRKHEA-RKDXNWHRSA-N 1 0 222.292 0.659 10 0 BCAERO CCc1nnc(N2CCC([NH3+])CC2)nc1CC ZINC000097836349 132242586 /nfs/dbraw/zinc/24/25/86/132242586.db2.gz LODRYTKPFSBUHT-UHFFFAOYSA-N 1 0 235.335 0.924 10 0 BCAERO CC(=O)Nc1ccc(N2CC[NH+](C)CC2)c(N)c1 ZINC000226262906 132291519 /nfs/dbraw/zinc/29/15/19/132291519.db2.gz JWJFJMUCAXNMPP-UHFFFAOYSA-N 1 0 248.330 0.979 10 0 BCAERO c1nc2ncnc(N3CC[N@@H+]4CCC[C@@H]4C3)c2[nH]1 ZINC000034145609 132295192 /nfs/dbraw/zinc/29/51/92/132295192.db2.gz ZRBWEAWZCVSDSM-SECBINFHSA-N 1 0 244.302 0.637 10 0 BCAERO Fc1cnc(N2CC[N@@H+]3CCC[C@H]3C2)nc1 ZINC000269476284 132304699 /nfs/dbraw/zinc/30/46/99/132304699.db2.gz KHMPVXXXHXFAEG-JTQLQIEISA-N 1 0 222.267 0.900 10 0 BCAERO O=C1Nc2ccccc2N2CC[NH2+]C[C@H]12 ZINC000005162714 132317256 /nfs/dbraw/zinc/31/72/56/132317256.db2.gz FRZDVWUAWCOHDI-SNVBAGLBSA-N 1 0 203.245 0.417 10 0 BCAERO C[NH+](C)CCN1c2ccc(N)cc2OCC1=O ZINC000011568794 132319700 /nfs/dbraw/zinc/31/97/00/132319700.db2.gz OLTLUEQWMQJCNC-UHFFFAOYSA-N 1 0 235.287 0.556 10 0 BCAERO CC[C@@H](C[NH3+])N1CCN(c2ccccn2)CC1 ZINC000019399795 132324534 /nfs/dbraw/zinc/32/45/34/132324534.db2.gz ZSRZUDHORYDHTA-LBPRGKRZSA-N 1 0 234.347 0.941 10 0 BCAERO C[C@H]1CN(c2ncccc2C(N)=[NH2+])CCO1 ZINC000019487907 132325697 /nfs/dbraw/zinc/32/56/97/132325697.db2.gz PZWLECWJLNSUFX-QMMMGPOBSA-N 1 0 220.276 0.591 10 0 BCAERO C[C@@H]1CN(c2ncccc2C(N)=[NH2+])CCO1 ZINC000019487905 132325753 /nfs/dbraw/zinc/32/57/53/132325753.db2.gz PZWLECWJLNSUFX-MRVPVSSYSA-N 1 0 220.276 0.591 10 0 BCAERO C[NH2+]C[C@H](O)CN1C(=O)CCc2ccccc21 ZINC000019864247 132327933 /nfs/dbraw/zinc/32/79/33/132327933.db2.gz SJFPYEBODDVZSW-NSHDSACASA-N 1 0 234.299 0.546 10 0 BCAERO C[C@H](O)C[NH+]1CCN(c2ccccc2N)CC1 ZINC000020265482 132330866 /nfs/dbraw/zinc/33/08/66/132330866.db2.gz GYFGFKDGVBSJBS-NSHDSACASA-N 1 0 235.331 0.772 10 0 BCAERO C[C@@H](O)C[NH+]1CCN(c2ccccc2N)CC1 ZINC000020265479 132330995 /nfs/dbraw/zinc/33/09/95/132330995.db2.gz GYFGFKDGVBSJBS-LLVKDONJSA-N 1 0 235.331 0.772 10 0 BCAERO Nc1nc2ccccc2nc1N1CC[NH2+]CC1 ZINC000025967822 132333237 /nfs/dbraw/zinc/33/32/37/132333237.db2.gz IUESNHYFGNOLAM-UHFFFAOYSA-N 1 0 229.287 0.622 10 0 BCAERO Cn1c(=O)cc(N2CC[NH2+]CC2)c2ccccc21 ZINC000028651197 132334175 /nfs/dbraw/zinc/33/41/75/132334175.db2.gz YSUUBGDSZSJMCL-UHFFFAOYSA-N 1 0 243.310 0.948 10 0 BCAERO C[NH2+]Cc1ccccc1N1CCNC(=O)C1 ZINC000034824153 132337035 /nfs/dbraw/zinc/33/70/35/132337035.db2.gz AZXIYMGAFYEGOZ-UHFFFAOYSA-N 1 0 219.288 0.342 10 0 BCAERO Cc1ccc(N)c(N2CCC(C(N)=O)CC2)[nH+]1 ZINC000036226486 132340940 /nfs/dbraw/zinc/34/09/40/132340940.db2.gz HQGKGHZFMYNLQB-UHFFFAOYSA-N 1 0 234.303 0.674 10 0 BCAERO Nc1cc(Cl)cnc1N1CC[NH2+]CC1 ZINC000036226494 132341042 /nfs/dbraw/zinc/34/10/42/132341042.db2.gz KCPOHORXNUDVBI-UHFFFAOYSA-N 1 0 212.684 0.727 10 0 BCAERO NC(=[NH2+])c1ccc(N2CCC(CO)CC2)nc1 ZINC000036720975 132342591 /nfs/dbraw/zinc/34/25/91/132342591.db2.gz BDLPMQICJYNUGO-UHFFFAOYSA-N 1 0 234.303 0.574 10 0 BCAERO CC[C@H]([NH3+])CN1CCN(c2ccccn2)CC1 ZINC000036871977 132342788 /nfs/dbraw/zinc/34/27/88/132342788.db2.gz GYXVSFGQRLWOBZ-LBPRGKRZSA-N 1 0 234.347 0.941 10 0 BCAERO CCc1nc(N2CCSCC2)cc(NN)[nH+]1 ZINC000039640850 132347071 /nfs/dbraw/zinc/34/70/71/132347071.db2.gz TZEBXMSBJLDMFT-UHFFFAOYSA-N 1 0 239.348 0.878 10 0 BCAERO [NH3+][C@@H]1CCC[C@@H]1N1CCN(c2ncccn2)CC1 ZINC000040431833 132347674 /nfs/dbraw/zinc/34/76/74/132347674.db2.gz JDMISEUKCDSOJZ-NEPJUHHUSA-N 1 0 247.346 0.478 10 0 BCAERO NC(=O)c1ccc(N2CCC[C@@H]([NH3+])C2)cc1 ZINC000041030248 132349168 /nfs/dbraw/zinc/34/91/68/132349168.db2.gz UWGHDIGWAQQRHJ-SNVBAGLBSA-N 1 0 219.288 0.713 10 0 BCAERO [NH3+]C[C@H]1CN(c2ccc(F)cn2)CCO1 ZINC000041059057 132349439 /nfs/dbraw/zinc/34/94/39/132349439.db2.gz BLCTUJUQCZVWIX-VIFPVBQESA-N 1 0 211.240 0.385 10 0 BCAERO Cc1cnc(C)c(N2CCO[C@H](C[NH3+])C2)n1 ZINC000041059074 132349588 /nfs/dbraw/zinc/34/95/88/132349588.db2.gz LFYBUAYMTHGJML-SNVBAGLBSA-N 1 0 222.292 0.257 10 0 BCAERO C[NH+](C)CC1CCN(c2ncc(N)cn2)CC1 ZINC000042393107 132351158 /nfs/dbraw/zinc/35/11/58/132351158.db2.gz YHNOTERITNXZHO-UHFFFAOYSA-N 1 0 235.335 0.837 10 0 BCAERO C[NH2+]CCN1c2ccccc2OCC1=O ZINC000042409924 132351555 /nfs/dbraw/zinc/35/15/55/132351555.db2.gz HFBORJJIMXWQAS-UHFFFAOYSA-N 1 0 206.245 0.631 10 0 BCAERO C[C@H]1CC[C@H](C(N)=O)CN1c1ccc(C[NH3+])cn1 ZINC000042427007 132351680 /nfs/dbraw/zinc/35/16/80/132351680.db2.gz DLUHSMCKGWGSGI-ONGXEEELSA-N 1 0 248.330 0.631 10 0 BCAERO CCc1cc(N)nc(N2CCOCC2)[nH+]1 ZINC000050846346 132359589 /nfs/dbraw/zinc/35/95/89/132359589.db2.gz AZJKOUQWRREDMS-UHFFFAOYSA-N 1 0 208.265 0.458 10 0 BCAERO C[NH2+]Cc1ccnc(N2CCS(=O)CC2)c1 ZINC000051484664 132361314 /nfs/dbraw/zinc/36/13/14/132361314.db2.gz YCMBFMVDUHAROX-UHFFFAOYSA-N 1 0 239.344 0.370 10 0 BCAERO O=C1CN([C@H]2CC[NH2+]C2)c2ccccc2N1 ZINC000051782988 132361765 /nfs/dbraw/zinc/36/17/65/132361765.db2.gz BOOUYUCGXHPCCS-VIFPVBQESA-N 1 0 217.272 0.807 10 0 BCAERO C[C@@H]1CN(c2ncccc2C(N)=O)C[C@@H](C)[NH2+]1 ZINC000053711657 132363363 /nfs/dbraw/zinc/36/33/63/132363363.db2.gz JIXRTYJHOXWUSP-RKDXNWHRSA-N 1 0 234.303 0.367 10 0 BCAERO Cc1ccc(N2C[C@H](C)[NH2+][C@@H](C)C2)nn1 ZINC000053712513 132363672 /nfs/dbraw/zinc/36/36/72/132363672.db2.gz ZARMXFTUUWIYSU-UWVGGRQHSA-N 1 0 206.293 0.972 10 0 BCAERO NC(=[NH2+])c1nccnc1N1CCN(C2CC2)CC1 ZINC000054379878 132364584 /nfs/dbraw/zinc/36/45/84/132364584.db2.gz WYOCUHNFZOZTKY-UHFFFAOYSA-N 1 0 246.318 0.045 10 0 BCAERO C[NH2+]Cc1ccnc(N2CCOCC2)n1 ZINC000054791136 132365049 /nfs/dbraw/zinc/36/50/49/132365049.db2.gz VNYIJPUFPOJHRK-UHFFFAOYSA-N 1 0 208.265 0.033 10 0 BCAERO Cc1ccc(N2CCN([C@H](C)C[NH3+])CC2)nn1 ZINC000058022154 132367961 /nfs/dbraw/zinc/36/79/61/132367961.db2.gz VSAIYBAECOVYCS-LLVKDONJSA-N 1 0 235.335 0.254 10 0 BCAERO C[C@H]1CN(c2ccnc(C(N)=[NH2+])c2)C[C@H](C)O1 ZINC000061813973 132387179 /nfs/dbraw/zinc/38/71/79/132387179.db2.gz LTSQUFYUZLOFLX-IUCAKERBSA-N 1 0 234.303 0.979 10 0 BCAERO [NH3+]C[C@H]1CCCN(c2nccn(C3CC3)c2=O)C1 ZINC000061768032 132387222 /nfs/dbraw/zinc/38/72/22/132387222.db2.gz DSPIJKCOTHBMTF-SNVBAGLBSA-N 1 0 248.330 0.753 10 0 BCAERO C[C@@H]1CN(c2ccnc(C(N)=[NH2+])c2)C[C@H](C)O1 ZINC000061813972 132387244 /nfs/dbraw/zinc/38/72/44/132387244.db2.gz LTSQUFYUZLOFLX-DTORHVGOSA-N 1 0 234.303 0.979 10 0 BCAERO Cc1cnc(N2CCC(C[NH3+])CC2)nc1 ZINC000063049055 132388853 /nfs/dbraw/zinc/38/88/53/132388853.db2.gz GZQLOOJMKYXVRD-UHFFFAOYSA-N 1 0 206.293 0.960 10 0 BCAERO C[C@H]([NH3+])[C@@H]1CCCCN1c1nccn(C)c1=O ZINC000063196754 132389506 /nfs/dbraw/zinc/38/95/06/132389506.db2.gz DWGBCABMORUIAT-UWVGGRQHSA-N 1 0 236.319 0.486 10 0 BCAERO C[NH2+]C[C@H]1CCCCN1c1ccnc(C(N)=O)c1 ZINC000063169514 132389658 /nfs/dbraw/zinc/38/96/58/132389658.db2.gz WLXSXANIQFYWCE-LLVKDONJSA-N 1 0 248.330 0.759 10 0 BCAERO Cn1ccnc(N2CCCC[C@@H]2CC[NH3+])c1=O ZINC000070073889 132391543 /nfs/dbraw/zinc/39/15/43/132391543.db2.gz RZTGZDNTHFCCGP-SNVBAGLBSA-N 1 0 236.319 0.488 10 0 BCAERO [NH3+]Cc1cccc(N2CCC(O)CC2)n1 ZINC000070233142 132391587 /nfs/dbraw/zinc/39/15/87/132391587.db2.gz WDJJYAPRDIEPJN-UHFFFAOYSA-N 1 0 207.277 0.501 10 0 BCAERO C[C@@H]1CCN(c2ncnc3nc[nH]c32)[C@@H](C[NH3+])C1 ZINC000235382996 132395194 /nfs/dbraw/zinc/39/51/94/132395194.db2.gz TYCBDAMHXSHTEG-RKDXNWHRSA-N 1 0 246.318 0.917 10 0 BCAERO C[C@@H]1C[NH2+]CCN1c1ccc(N)cc1CO ZINC000071792984 132395441 /nfs/dbraw/zinc/39/54/41/132395441.db2.gz GERNPGVEIMKSNY-SECBINFHSA-N 1 0 221.304 0.559 10 0 BCAERO C[C@@H]1CN(c2nccc(Cl)n2)CC[NH2+]1 ZINC000083347181 132422176 /nfs/dbraw/zinc/42/21/76/132422176.db2.gz XQELEZAAAQFESK-SSDOTTSWSA-N 1 0 212.684 0.928 10 0 BCAERO C[C@@H]1CN(c2ccc(C(N)=O)cc2)[C@H](C)C[NH2+]1 ZINC000083360069 132422627 /nfs/dbraw/zinc/42/26/27/132422627.db2.gz WKKHPZMREWTLGY-NXEZZACHSA-N 1 0 233.315 0.972 10 0 BCAERO COc1ccccc1N1CCN(CC(N)=[NH2+])CC1 ZINC000100666819 132433524 /nfs/dbraw/zinc/43/35/24/132433524.db2.gz HXDSTLIIQLYWAU-UHFFFAOYSA-N 1 0 248.330 0.753 10 0 BCAERO CCCCCN(CCO)C(=O)[C@@H](C)[NH3+] ZINC000158034491 133496746 /nfs/dbraw/zinc/49/67/46/133496746.db2.gz BQBVTJZBJCCBLD-SECBINFHSA-N 1 0 202.298 0.345 10 0 BCAERO C[C@@H]1SCCN(C(=O)[C@@H]2CC[NH2+]C2)[C@H]1C ZINC000158359078 133501820 /nfs/dbraw/zinc/50/18/20/133501820.db2.gz CRIUFEIQKIUIED-LPEHRKFASA-N 1 0 228.361 0.948 10 0 BCAERO C[C@@H]1OCC[C@@H]1NC(=O)CC[C@H]1CC[NH2+]C1 ZINC000252737587 133651105 /nfs/dbraw/zinc/65/11/05/133651105.db2.gz BWHXJGHIMOAABD-DCAQKATOSA-N 1 0 226.320 0.670 10 0 BCAERO O=C(NC[C@H]1CC[NH2+]C1)c1ccc2n[nH]cc2c1 ZINC000335990194 134040270 /nfs/dbraw/zinc/04/02/70/134040270.db2.gz QZIKDNXEBVUPTH-VIFPVBQESA-N 1 0 244.298 0.902 10 0 BCAERO OC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccsc1 ZINC000336005201 134048857 /nfs/dbraw/zinc/04/88/57/134048857.db2.gz YCZNHFKJHJYGEJ-NXEZZACHSA-N 1 0 213.302 0.676 10 0 BCAERO C[C@H]1CCN(C(=O)[C@@H]2CCCO2)C[C@H]1C[NH3+] ZINC000167618096 134153001 /nfs/dbraw/zinc/15/30/01/134153001.db2.gz QIEBTGBLYQZQKU-AXFHLTTASA-N 1 0 226.320 0.609 10 0 BCAERO C[NH2+]C[C@H](C)CNS(=O)(=O)N(C)C(C)C ZINC000168319301 134196186 /nfs/dbraw/zinc/19/61/86/134196186.db2.gz BGBKLDFBXFZVSS-VIFPVBQESA-N 1 0 237.369 0.017 10 0 BCAERO CCN1CCN(C(=O)[C@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000085009383 134220606 /nfs/dbraw/zinc/22/06/06/134220606.db2.gz IMNYNRMUARPHCW-WDEREUQCSA-N 1 0 225.336 0.278 10 0 BCAERO [NH3+][C@H]1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC000085009443 134220682 /nfs/dbraw/zinc/22/06/82/134220682.db2.gz INFSKKRJYCVKHK-RITPCOANSA-N 1 0 210.199 0.792 10 0 BCAERO COC(=O)C(C)(C)NC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000085010847 134220908 /nfs/dbraw/zinc/22/09/08/134220908.db2.gz RQGORKUTCIBEPI-YUMQZZPRSA-N 1 0 228.292 0.182 10 0 BCAERO CC1(C)CN(C(=O)[C@H]2CC[C@H]([NH3+])C2)CCO1 ZINC000085010760 134221046 /nfs/dbraw/zinc/22/10/46/134221046.db2.gz UBZAOTHRACUZLM-UWVGGRQHSA-N 1 0 226.320 0.751 10 0 BCAERO CCCNC(=O)CN(C)[C@@H]1CCC[NH2+]CC1 ZINC000168806053 134246773 /nfs/dbraw/zinc/24/67/73/134246773.db2.gz RHBWUJLVHSHHLC-LLVKDONJSA-N 1 0 227.352 0.587 10 0 BCAERO C[C@@H]1CN(C(=O)C[C@H]2CCC[NH2+]2)C[C@@H](C)O1 ZINC000217948275 134250866 /nfs/dbraw/zinc/25/08/66/134250866.db2.gz VUNWRKQAFIKDBB-GMTAPVOTSA-N 1 0 226.320 0.764 10 0 BCAERO C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCCO2)C1 ZINC000170861351 134254000 /nfs/dbraw/zinc/25/40/00/134254000.db2.gz UGNHZBQXZLBWGQ-NXEZZACHSA-N 1 0 212.293 0.328 10 0 BCAERO CCOC(=O)N1CCC[N@H+](CC(C)(C)O)CC1 ZINC000171922285 134263201 /nfs/dbraw/zinc/26/32/01/134263201.db2.gz QBZINPLMNDXPAY-UHFFFAOYSA-N 1 0 244.335 0.922 10 0 BCAERO O=C(NC1C[NH2+]C1)C1(c2ccccc2)CC1 ZINC000085256122 134265282 /nfs/dbraw/zinc/26/52/82/134265282.db2.gz WGFHLOFRJFCQAC-UHFFFAOYSA-N 1 0 216.284 0.806 10 0 BCAERO CSCC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000172307589 134265478 /nfs/dbraw/zinc/26/54/78/134265478.db2.gz XGXNFAUMTOBNJM-SECBINFHSA-N 1 0 232.349 0.138 10 0 BCAERO CN(C(=O)c1cc(Cl)c[nH]1)C1C[NH2+]C1 ZINC000085257703 134269954 /nfs/dbraw/zinc/26/99/54/134269954.db2.gz SGJPOEPFNMHKSQ-UHFFFAOYSA-N 1 0 213.668 0.712 10 0 BCAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CN(C)C ZINC000175448014 134287090 /nfs/dbraw/zinc/28/70/90/134287090.db2.gz BKQVJSOLMVUUIQ-NWDGAFQWSA-N 1 0 239.363 0.633 10 0 BCAERO CCNC(=O)CCN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000177757871 134299965 /nfs/dbraw/zinc/29/99/65/134299965.db2.gz JGMSSIWIUMACGK-GFCCVEGCSA-N 1 0 239.363 0.683 10 0 BCAERO O=C1NCC[C@@H]1[NH+]1CCC(Cn2cccn2)CC1 ZINC000178200171 134304932 /nfs/dbraw/zinc/30/49/32/134304932.db2.gz HLTDLTPELFIMNN-LBPRGKRZSA-N 1 0 248.330 0.484 10 0 BCAERO Cc1c(NC(=O)[C@H]2CCC[NH2+]C2)cnn1C ZINC000178149414 134306883 /nfs/dbraw/zinc/30/68/83/134306883.db2.gz KZNFLMJRFBCGOJ-VIFPVBQESA-N 1 0 222.292 0.667 10 0 BCAERO [NH3+][C@@H]1CCC[C@H]1C(=O)NCc1cccc(CO)c1 ZINC000178525253 134307819 /nfs/dbraw/zinc/30/78/19/134307819.db2.gz ZWXWRCISJWZJPQ-CHWSQXEVSA-N 1 0 248.326 0.923 10 0 BCAERO CCOCCO[C@H](C)C(=O)NCC[C@@H](C)[NH3+] ZINC000178667840 134312554 /nfs/dbraw/zinc/31/25/54/134312554.db2.gz XRCFBRIUXPRUKY-NXEZZACHSA-N 1 0 232.324 0.282 10 0 BCAERO CCCCOCC(=O)NCC[C@@H](C)[NH3+] ZINC000178636976 134312604 /nfs/dbraw/zinc/31/26/04/134312604.db2.gz DZGATPFUXXERIK-SECBINFHSA-N 1 0 202.298 0.657 10 0 BCAERO Cc1nccc(CN2C[C@@H]3CCC[NH2+][C@@H]3C2)n1 ZINC000221432991 134324678 /nfs/dbraw/zinc/32/46/78/134324678.db2.gz RHRNSONVWAMBLW-WCQYABFASA-N 1 0 232.331 0.969 10 0 BCAERO Cc1nccc(CN2C[C@H]3CCC[NH2+][C@@H]3C2)n1 ZINC000221433049 134324752 /nfs/dbraw/zinc/32/47/52/134324752.db2.gz RHRNSONVWAMBLW-DGCLKSJQSA-N 1 0 232.331 0.969 10 0 BCAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C[C@H](O)COC ZINC000180841907 134331622 /nfs/dbraw/zinc/33/16/22/134331622.db2.gz CNSYELHAMINIEX-UPJWGTAASA-N 1 0 242.363 0.552 10 0 BCAERO COC(=O)[C@@H](C)C[N@@H+]1CCOC[C@@H]1C ZINC000223154154 134337117 /nfs/dbraw/zinc/33/71/17/134337117.db2.gz UPGUUWDDZSKWAJ-IUCAKERBSA-N 1 0 201.266 0.516 10 0 BCAERO CO[C@@H](C)C[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000182192905 134342543 /nfs/dbraw/zinc/34/25/43/134342543.db2.gz PGDZNVSLYPYPAW-RYUDHWBXSA-N 1 0 228.336 0.428 10 0 BCAERO COC(C)(C)C(=O)N(C)C[C@H]1CC[N@H+](C)C1 ZINC000224051756 134344514 /nfs/dbraw/zinc/34/45/14/134344514.db2.gz KOVPESVALXRMLN-JTQLQIEISA-N 1 0 228.336 0.822 10 0 BCAERO CC[C@H](O)C[N@@H+]1C[C@@H](C)[C@@H](N(C)C)C1 ZINC000226091283 134358494 /nfs/dbraw/zinc/35/84/94/134358494.db2.gz HUHUVXFDFQMHAQ-VWYCJHECSA-N 1 0 200.326 0.639 10 0 BCAERO CCc1nnc(CN2CC[N@@H+]3CCC[C@@H]3C2)[nH]1 ZINC000184581770 134363752 /nfs/dbraw/zinc/36/37/52/134363752.db2.gz HBLLXFNUMXXKBU-SNVBAGLBSA-N 1 0 235.335 0.647 10 0 BCAERO Cc1cnc(CNC(=O)[C@@H]2CC[NH2+]C2)s1 ZINC000226405832 134365861 /nfs/dbraw/zinc/36/58/61/134365861.db2.gz JQMACYKECCYFDC-MRVPVSSYSA-N 1 0 225.317 0.677 10 0 BCAERO NC(=O)c1ccc(C[N@@H+]2CC[C@H](CCO)C2)cc1 ZINC000227567788 134383277 /nfs/dbraw/zinc/38/32/77/134383277.db2.gz BBGBFERPYFRTOE-GFCCVEGCSA-N 1 0 248.326 0.990 10 0 BCAERO C[C@H](C(=O)N(C)C)[N@@H+]1CC[C@@H](CCO)C1 ZINC000227576282 134385409 /nfs/dbraw/zinc/38/54/09/134385409.db2.gz QEDQAQQEGVCRIO-ZJUUUORDSA-N 1 0 214.309 0.167 10 0 BCAERO CC(C)(O)C[N@@H+]1CCC[C@H]1CCCO ZINC000052762262 134386176 /nfs/dbraw/zinc/38/61/76/134386176.db2.gz ZQKWWLOGMXYWIF-JTQLQIEISA-N 1 0 201.310 0.994 10 0 BCAERO C[C@H](CO)[C@H](C)[NH2+]C[C@@H](O)COC(C)(C)C ZINC000228725838 134430586 /nfs/dbraw/zinc/43/05/86/134430586.db2.gz PLCVHMXAKPZAHN-OUAUKWLOSA-N 1 0 233.352 0.769 10 0 BCAERO Cc1nnc(NC(=O)[C@H]2CCC[C@@H]2[NH3+])s1 ZINC000150699443 134454768 /nfs/dbraw/zinc/45/47/68/134454768.db2.gz DQEUKIYBWKNRSS-BQBZGAKWSA-N 1 0 226.305 0.912 10 0 BCAERO C[C@H]1OCCC[C@@H]1C(=O)NCCC[NH+](C)C ZINC000190329397 134559788 /nfs/dbraw/zinc/55/97/88/134559788.db2.gz KPBWIDBFDVYNOA-MNOVXSKESA-N 1 0 228.336 0.869 10 0 BCAERO Cc1ccc(C(=O)N2C[C@@H](C)[C@@H]([NH3+])C2)cn1 ZINC000235342927 134592162 /nfs/dbraw/zinc/59/21/62/134592162.db2.gz FVCFVGZGFQTJNR-KCJUWKMLSA-N 1 0 219.288 0.809 10 0 BCAERO CCNC(=O)[C@@H](C)[NH2+]CC1CCOCC1 ZINC000052172405 134697164 /nfs/dbraw/zinc/69/71/64/134697164.db2.gz AHDAMPYAVBLAAC-SECBINFHSA-N 1 0 214.309 0.527 10 0 BCAERO CC[C@H](C)[C@H](NCCC[NH3+])C(=O)OC ZINC000135287093 134740488 /nfs/dbraw/zinc/74/04/88/134740488.db2.gz HFIVFWSZYCRRSP-IUCAKERBSA-N 1 0 202.298 0.513 10 0 BCAERO Cc1nnc(NC[C@H]([NH3+])C2CC2)nc1C ZINC000158983969 134758652 /nfs/dbraw/zinc/75/86/52/134758652.db2.gz GTWMOFSQVFRVME-VIFPVBQESA-N 1 0 207.281 0.638 10 0 BCAERO C[C@H](C(=O)N1CCO[C@@H]2CCC[C@@H]21)C1C[NH2+]C1 ZINC000164465583 134858572 /nfs/dbraw/zinc/85/85/72/134858572.db2.gz KSNUWWDAJSJTLD-ZMLRMANQSA-N 1 0 238.331 0.622 10 0 BCAERO Cc1cc(NC[C@H]([NH3+])C(C)C)n2ncnc2n1 ZINC000070447774 134918948 /nfs/dbraw/zinc/91/89/48/134918948.db2.gz QAJGCFVXDSRGJQ-VIFPVBQESA-N 1 0 234.307 0.828 10 0 BCAERO COCCOCCN1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000246483952 134944248 /nfs/dbraw/zinc/94/42/48/134944248.db2.gz HWNSBZFGKUNSCD-OLZOCXBDSA-N 1 0 242.363 0.818 10 0 BCAERO CCCNC(=O)CN1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000246806279 134961118 /nfs/dbraw/zinc/96/11/18/134961118.db2.gz BZNRYMFUCDEEGH-NEPJUHHUSA-N 1 0 239.363 0.681 10 0 BCAERO CCCCOC[C@H](O)C[N@@H+]1CC[C@H]([C@H](C)O)C1 ZINC000248661789 135018233 /nfs/dbraw/zinc/01/82/33/135018233.db2.gz XQMUGSKTIXWQPP-RWMBFGLXSA-N 1 0 245.363 0.867 10 0 BCAERO CN(C)C(=O)[C@H]1CCC[N@@H+]1C[C@H]1CCCO1 ZINC000248673084 135018280 /nfs/dbraw/zinc/01/82/80/135018280.db2.gz VKOBEIZAVMHBKD-GHMZBOCLSA-N 1 0 226.320 0.718 10 0 BCAERO C[C@@H](O)C[N@@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000248656045 135018791 /nfs/dbraw/zinc/01/87/91/135018791.db2.gz QZMBXTTWGFXURD-ZYHUDNBSSA-N 1 0 222.288 0.916 10 0 BCAERO C[C@@H]1C(=O)NCCC[N@H+]1C[C@H]1CCCCO1 ZINC000249043027 135030262 /nfs/dbraw/zinc/03/02/62/135030262.db2.gz NELHZIHXKUNUAJ-GHMZBOCLSA-N 1 0 226.320 0.766 10 0 BCAERO C[C@@H]1C(=O)NCCCN1CC[C@H]1CCC[N@@H+]1C ZINC000249103549 135033344 /nfs/dbraw/zinc/03/33/44/135033344.db2.gz WQVYGUZFBZJWHD-VXGBXAGGSA-N 1 0 239.363 0.681 10 0 BCAERO CSC[C@H](O)CN1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000249128924 135034175 /nfs/dbraw/zinc/03/41/75/135034175.db2.gz DDJKYBSWLMXBFZ-GRYCIOLGSA-N 1 0 244.404 0.879 10 0 BCAERO CSC[C@H](O)CN1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000249128930 135034989 /nfs/dbraw/zinc/03/49/89/135034989.db2.gz DDJKYBSWLMXBFZ-QJPTWQEYSA-N 1 0 244.404 0.879 10 0 BCAERO CCNC(=O)CC[N@@H+]1CCC[C@H](NC(C)=O)C1 ZINC000076709480 135048532 /nfs/dbraw/zinc/04/85/32/135048532.db2.gz UNILWFBFDOGPOC-NSHDSACASA-N 1 0 241.335 0.113 10 0 BCAERO O=C1NCCC[C@@H]1N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250627416 135056879 /nfs/dbraw/zinc/05/68/79/135056879.db2.gz BTOOIFMNURAVGB-SRVKXCTJSA-N 1 0 237.347 0.481 10 0 BCAERO COC(=O)[C@@H](C)C[N@@H+]1CCCC[C@H]1C(N)=O ZINC000251121302 135064185 /nfs/dbraw/zinc/06/41/85/135064185.db2.gz RDERANRTBWYUMF-IUCAKERBSA-N 1 0 228.292 0.135 10 0 BCAERO COC[C@H]([NH3+])C(=O)N[C@H]1CCC[C@H](C)C1 ZINC000251845766 135078711 /nfs/dbraw/zinc/07/87/11/135078711.db2.gz OOGMSBZLTDQAQF-GUBZILKMSA-N 1 0 214.309 0.655 10 0 BCAERO C[C@@H]1CCCN(c2ccnc(C(N)=O)c2)[C@H]1C[NH3+] ZINC000252103896 135083737 /nfs/dbraw/zinc/08/37/37/135083737.db2.gz GSCLOZPVRDWNFU-SKDRFNHKSA-N 1 0 248.330 0.744 10 0 BCAERO C[C@H]1CCCN(c2nccn3cnnc23)[C@H]1C[NH3+] ZINC000252094031 135083975 /nfs/dbraw/zinc/08/39/75/135083975.db2.gz FCWIFARMWFSTJJ-UWVGGRQHSA-N 1 0 246.318 0.688 10 0 BCAERO CC[C@H]1C[N@H+](C[C@H](C)C(=O)OC)CCO1 ZINC000252407210 135088189 /nfs/dbraw/zinc/08/81/89/135088189.db2.gz HHVQUQDGPQFZEI-UWVGGRQHSA-N 1 0 215.293 0.906 10 0 BCAERO CN1CCO[C@@H](C[NH2+]C[C@H]2CCCOC2)C1 ZINC000252554282 135092761 /nfs/dbraw/zinc/09/27/61/135092761.db2.gz ROTGUQUMNSDAAG-NEPJUHHUSA-N 1 0 228.336 0.333 10 0 BCAERO OC[C@H](O)CSCCC[NH+]1CCCC1 ZINC000086660848 135093605 /nfs/dbraw/zinc/09/36/05/135093605.db2.gz QKCFCLWWEOBQCA-JTQLQIEISA-N 1 0 219.350 0.559 10 0 BCAERO CC(C)(CN[C@H]1CC[NH2+]C1)N1CCOCC1 ZINC000086725071 135095336 /nfs/dbraw/zinc/09/53/36/135095336.db2.gz BHIUNJBSLLSXQO-NSHDSACASA-N 1 0 227.352 0.049 10 0 BCAERO COC(=O)[C@@H]1CCC[N@@H+]([C@H]2CCOC2)C1 ZINC000252701547 135098277 /nfs/dbraw/zinc/09/82/77/135098277.db2.gz DNJFYKADNNYCPF-ZJUUUORDSA-N 1 0 213.277 0.660 10 0 BCAERO CC(C)N1C[C@@H](C)[C@@H]([NH2+][C@H](C)CC(N)=O)C1 ZINC000252726983 135103052 /nfs/dbraw/zinc/10/30/52/135103052.db2.gz JUOFMTDZVJMFKO-MXWKQRLJSA-N 1 0 227.352 0.569 10 0 BCAERO COCCCN(C)C(=O)[C@H]1CCC[NH2+][C@@H]1C ZINC000087122896 135106809 /nfs/dbraw/zinc/10/68/09/135106809.db2.gz JLYLXWPRUHHXOF-MNOVXSKESA-N 1 0 228.336 0.869 10 0 BCAERO COCCCN(C)C(=O)[C@@H]1CCC[NH2+][C@H]1C ZINC000087122894 135107137 /nfs/dbraw/zinc/10/71/37/135107137.db2.gz JLYLXWPRUHHXOF-WDEREUQCSA-N 1 0 228.336 0.869 10 0 BCAERO COCCNC(=O)[C@@H]1CCC[NH2+][C@H]1C ZINC000087121906 135107195 /nfs/dbraw/zinc/10/71/95/135107195.db2.gz SPFBZCBHGVVPOO-DTWKUNHWSA-N 1 0 200.282 0.137 10 0 BCAERO O=C(NC[C@@H]1CC[NH2+]C1)[C@@H]1CSCCS1 ZINC000261555717 135108436 /nfs/dbraw/zinc/10/84/36/135108436.db2.gz VDTOFTNYVHZTDK-BDAKNGLRSA-N 1 0 246.401 0.561 10 0 BCAERO [NH3+]C[C@H]1CCC[C@H]1NS(=O)(=O)CCC1CC1 ZINC000261592369 135110436 /nfs/dbraw/zinc/11/04/36/135110436.db2.gz VUAUOYHGECFRGI-GHMZBOCLSA-N 1 0 246.376 0.833 10 0 BCAERO C[C@H](O)CC[N@@H+]1CCC[C@H]1CCCO ZINC000252874857 135115059 /nfs/dbraw/zinc/11/50/59/135115059.db2.gz QDQQDJGEUYKRMZ-QWRGUYRKSA-N 1 0 201.310 0.994 10 0 BCAERO C[N@H+](CCC(N)=O)[C@H]1CCCC[C@H]1O ZINC000252925709 135117257 /nfs/dbraw/zinc/11/72/57/135117257.db2.gz NAOZFMHPTDCXJX-DTWKUNHWSA-N 1 0 200.282 0.097 10 0 BCAERO C[C@H](CO)[C@H](C)[NH2+][C@H]1CCCC[C@H]1O ZINC000252948271 135117803 /nfs/dbraw/zinc/11/78/03/135117803.db2.gz NODCZEGACAXGER-VPOLOUISSA-N 1 0 201.310 0.896 10 0 BCAERO Cc1noc(C)c1[C@@H](C)CNC(=O)C1C[NH2+]C1 ZINC000262289460 135117978 /nfs/dbraw/zinc/11/79/78/135117978.db2.gz XISJGINPPUUUDW-ZETCQYMHSA-N 1 0 237.303 0.731 10 0 BCAERO COC[C@H]([NH3+])C(=O)N1C[C@H](C)C[C@H]1C ZINC000253072601 135119941 /nfs/dbraw/zinc/11/99/41/135119941.db2.gz OEDRSROJPSQRNN-HLTSFMKQSA-N 1 0 200.282 0.217 10 0 BCAERO COC[C@H]([NH3+])C(=O)N[C@H]1CC[C@H](C)CC1 ZINC000253135649 135121925 /nfs/dbraw/zinc/12/19/25/135121925.db2.gz RKRRESLQYWBGNU-GUBZILKMSA-N 1 0 214.309 0.655 10 0 BCAERO O=C(N[C@H]1CCOC1)N[C@@H]1CCCC[NH2+]C1 ZINC000087313969 135123570 /nfs/dbraw/zinc/12/35/70/135123570.db2.gz PEFBVLXRSWRIEQ-ZJUUUORDSA-N 1 0 227.308 0.217 10 0 BCAERO C[C@@H]1CCN(c2cnccn2)C[C@H]1C[NH3+] ZINC000253196959 135124160 /nfs/dbraw/zinc/12/41/60/135124160.db2.gz UECXYYGDTQETFD-NXEZZACHSA-N 1 0 206.293 0.898 10 0 BCAERO C[C@@H](CCC[NH3+])Nc1ccnc(C(N)=O)c1 ZINC000087362199 135126960 /nfs/dbraw/zinc/12/69/60/135126960.db2.gz JYTRJYASWATWST-QMMMGPOBSA-N 1 0 222.292 0.720 10 0 BCAERO C[C@@H]1C[C@@](C(N)=O)(N(C)C)C[C@H](C)[N@H+]1C ZINC000253476060 135127176 /nfs/dbraw/zinc/12/71/76/135127176.db2.gz QFNFVCSNLBKWJK-DOFRTFSJSA-N 1 0 213.325 0.275 10 0 BCAERO O=C(NC[C@H]1CCCSC1)NC1C[NH2+]C1 ZINC000258610239 135132812 /nfs/dbraw/zinc/13/28/12/135132812.db2.gz QYBJFUDSURILPT-MRVPVSSYSA-N 1 0 229.349 0.401 10 0 BCAERO Cc1cc(CNC(=O)C2C[NH2+]C2)ccc1F ZINC000258754224 135134046 /nfs/dbraw/zinc/13/40/46/135134046.db2.gz QMHDIRWSNUIYAO-UHFFFAOYSA-N 1 0 222.263 0.970 10 0 BCAERO COCCCC(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000087421201 135137757 /nfs/dbraw/zinc/13/77/57/135137757.db2.gz DYHSLUQCYDMWPI-VHSXEESVSA-N 1 0 214.309 0.670 10 0 BCAERO CCCS(=O)(=O)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000259169722 135137884 /nfs/dbraw/zinc/13/78/84/135137884.db2.gz NXJJZRIDWNITIX-SECBINFHSA-N 1 0 234.365 0.785 10 0 BCAERO Cc1cc(NC(=O)[C@H]2CC[C@H]([NH3+])C2)nn1C ZINC000257714283 135140594 /nfs/dbraw/zinc/14/05/94/135140594.db2.gz SPHONUXSIKGXNA-IUCAKERBSA-N 1 0 222.292 0.794 10 0 BCAERO CC(C)C[C@H]1C(=O)NCCC[N@H+]1C[C@@H](C)O ZINC000257793641 135141928 /nfs/dbraw/zinc/14/19/28/135141928.db2.gz RFJIODXLAMBUQH-MNOVXSKESA-N 1 0 228.336 0.604 10 0 BCAERO Cc1cnc(N2CC[C@@]3(CC[NH2+]C3)C2)nc1 ZINC000259306731 135142691 /nfs/dbraw/zinc/14/26/91/135142691.db2.gz OTJUMDUYBWJKQB-GFCCVEGCSA-N 1 0 218.304 0.975 10 0 BCAERO C[C@@H]1C[C@@H](CNC(=O)C2C[NH2+]C2)CCO1 ZINC000261545728 135150430 /nfs/dbraw/zinc/15/04/30/135150430.db2.gz KGIMYWQVUBAOQO-BDAKNGLRSA-N 1 0 212.293 0.137 10 0 BCAERO CSC[C@H](C)C(=O)N1CC[C@@H]([NH3+])[C@H]1C ZINC000261527957 135152939 /nfs/dbraw/zinc/15/29/39/135152939.db2.gz IESRGESAIPBHMX-DJLDLDEBSA-N 1 0 216.350 0.934 10 0 BCAERO C[C@@H]1CN(c2ncncc2Cl)C[C@H]1[NH3+] ZINC000261528368 135153716 /nfs/dbraw/zinc/15/37/16/135153716.db2.gz KXNGYERYHCWEQM-HTRCEHHLSA-N 1 0 212.684 0.913 10 0 BCAERO CCCSCC(=O)NC[C@@H](C)[NH2+]C ZINC000261529251 135155157 /nfs/dbraw/zinc/15/51/57/135155157.db2.gz QJOAOBIRKLZLDZ-MRVPVSSYSA-N 1 0 204.339 0.854 10 0 BCAERO CC[C@@H](OC)C(=O)NC[C@@H]1CC[NH2+]C1 ZINC000261529014 135155314 /nfs/dbraw/zinc/15/53/14/135155314.db2.gz ZTTRLUOBGDOFFJ-RKDXNWHRSA-N 1 0 200.282 0.137 10 0 BCAERO C[C@H]1CCN(S(=O)(=O)C2CC2)[C@H](C[NH3+])C1 ZINC000261530992 135158893 /nfs/dbraw/zinc/15/88/93/135158893.db2.gz DVOWCTCRQFWENJ-IUCAKERBSA-N 1 0 232.349 0.538 10 0 BCAERO O=C(C1CC1)N1CCC([NH2+]C2COC2)CC1 ZINC000087597187 135159616 /nfs/dbraw/zinc/15/96/16/135159616.db2.gz QBIOJGFHITYNDX-UHFFFAOYSA-N 1 0 224.304 0.376 10 0 BCAERO COC[C@@H](C)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000261531647 135160682 /nfs/dbraw/zinc/16/06/82/135160682.db2.gz HJQQXCVCKIGJMW-RKDXNWHRSA-N 1 0 200.282 0.076 10 0 BCAERO O=C(NC[C@H]1CC[NH2+]C1)[C@@H]1CCCCO1 ZINC000087654687 135161799 /nfs/dbraw/zinc/16/17/99/135161799.db2.gz LWTHWQVHNAIVGC-UWVGGRQHSA-N 1 0 212.293 0.281 10 0 BCAERO C[C@@H](C[NH3+])C(=O)N1[C@H](C)COC[C@@H]1C ZINC000261531901 135162001 /nfs/dbraw/zinc/16/20/01/135162001.db2.gz IHUQDEJHQYQEPN-XHNCKOQMSA-N 1 0 200.282 0.217 10 0 BCAERO O=C(NC[C@@H]1CC[NH2+]C1)[C@H]1CCCCO1 ZINC000087654686 135162011 /nfs/dbraw/zinc/16/20/11/135162011.db2.gz LWTHWQVHNAIVGC-NXEZZACHSA-N 1 0 212.293 0.281 10 0 BCAERO Cc1cc(C(=O)NC[C@H]2CC[NH2+]C2)n(C)n1 ZINC000087654662 135162070 /nfs/dbraw/zinc/16/20/70/135162070.db2.gz OZDCFYWTFXEBCI-VIFPVBQESA-N 1 0 222.292 0.068 10 0 BCAERO COc1ccnc(NC[C@@H]2CC[NH2+]C2)n1 ZINC000087655371 135162570 /nfs/dbraw/zinc/16/25/70/135162570.db2.gz MPWXDZCFURZHDY-MRVPVSSYSA-N 1 0 208.265 0.507 10 0 BCAERO [NH3+]CCN1CCO[C@@H](COCC2CC2)C1 ZINC000261532208 135162639 /nfs/dbraw/zinc/16/26/39/135162639.db2.gz JPXGLALQSBSIQU-LLVKDONJSA-N 1 0 214.309 0.073 10 0 BCAERO COc1ccnc(N2CC[C@@H]([NH3+])[C@H]2C)n1 ZINC000261532631 135163417 /nfs/dbraw/zinc/16/34/17/135163417.db2.gz KAUYJZABANFCLW-HTQZYQBOSA-N 1 0 208.265 0.411 10 0 BCAERO CCN(CC)C(=O)[C@H](C)N1C[C@H](C)[C@H]([NH3+])C1 ZINC000261533627 135164775 /nfs/dbraw/zinc/16/47/75/135164775.db2.gz IMXDCSJCXVZFGI-GARJFASQSA-N 1 0 227.352 0.522 10 0 BCAERO C[C@H]1CCN(Cc2cncn2C)[C@H](C[NH3+])C1 ZINC000261533696 135165531 /nfs/dbraw/zinc/16/55/31/135165531.db2.gz KJHHWXNYZLQCJH-QWRGUYRKSA-N 1 0 222.336 0.979 10 0 BCAERO CCCc1noc(CN2C[C@H](C)[C@H]([NH3+])C2)n1 ZINC000261534487 135167068 /nfs/dbraw/zinc/16/70/68/135167068.db2.gz RFTLQJZRWHDLDZ-DTWKUNHWSA-N 1 0 224.308 0.801 10 0 BCAERO CCCC[C@H](C[NH3+])Nc1nccn(C)c1=O ZINC000087780056 135167671 /nfs/dbraw/zinc/16/76/71/135167671.db2.gz RPMFUOUSWVVFOR-SECBINFHSA-N 1 0 224.308 0.710 10 0 BCAERO CO[C@@H](C)C(=O)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261535088 135168643 /nfs/dbraw/zinc/16/86/43/135168643.db2.gz NSTLGNWKCWTEIL-IUCAKERBSA-N 1 0 214.309 0.607 10 0 BCAERO Cc1cc(C(=O)NC[C@H]2CC[NH2+]C2)nn1C ZINC000261535286 135169773 /nfs/dbraw/zinc/16/97/73/135169773.db2.gz XWPKQNRQYIUXHY-VIFPVBQESA-N 1 0 222.292 0.068 10 0 BCAERO CCNC(=O)CN1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261535539 135169865 /nfs/dbraw/zinc/16/98/65/135169865.db2.gz OMWXIRUVMIPAMT-SECBINFHSA-N 1 0 213.325 0.182 10 0 BCAERO C[C@H]1CN(CC(=O)N2CCCCC2)C[C@H]1[NH3+] ZINC000261535245 135170009 /nfs/dbraw/zinc/17/00/09/135170009.db2.gz XFPLVUOICZGFQW-WDEREUQCSA-N 1 0 225.336 0.278 10 0 BCAERO CCCCN(C)S(=O)(=O)NC[C@H](C)[NH2+]C ZINC000261536551 135172250 /nfs/dbraw/zinc/17/22/50/135172250.db2.gz SCKNDBDBAWTWKP-VIFPVBQESA-N 1 0 237.369 0.161 10 0 BCAERO COc1ccnc(N2C[C@H](C)[C@H]([NH3+])C2)n1 ZINC000261537086 135172700 /nfs/dbraw/zinc/17/27/00/135172700.db2.gz UURZGYHCSSCTCB-JGVFFNPUSA-N 1 0 208.265 0.269 10 0 BCAERO CCN(C)C(=O)[C@H]([NH3+])C1CCOCC1 ZINC000261537957 135174944 /nfs/dbraw/zinc/17/49/44/135174944.db2.gz WVXZBDIIWVWDSH-SECBINFHSA-N 1 0 200.282 0.219 10 0 BCAERO C[C@H]1CN(Cc2cncc(F)c2)C[C@H]1[NH3+] ZINC000261538447 135176280 /nfs/dbraw/zinc/17/62/80/135176280.db2.gz YDRKLXVSYDYXBF-GZMMTYOYSA-N 1 0 209.268 1.000 10 0 BCAERO CCN(C)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261538592 135176504 /nfs/dbraw/zinc/17/65/04/135176504.db2.gz YRCGLMVZNXSECX-AEJSXWLSSA-N 1 0 211.309 0.727 10 0 BCAERO CN(C(=O)CC1CCOCC1)C1C[NH2+]C1 ZINC000261538980 135177102 /nfs/dbraw/zinc/17/71/02/135177102.db2.gz BGNRFKFSHDKFKT-UHFFFAOYSA-N 1 0 212.293 0.233 10 0 BCAERO [NH3+][C@@H]1CC[C@@H]2CN(Cc3csnn3)C[C@@H]12 ZINC000261538947 135177141 /nfs/dbraw/zinc/17/71/41/135177141.db2.gz ZYAOPKLCYNTOES-SZEHBUNVSA-N 1 0 224.333 0.707 10 0 BCAERO CCO[C@H]1C[C@H]1C(=O)NC1CC[NH2+]CC1 ZINC000261539057 135177457 /nfs/dbraw/zinc/17/74/57/135177457.db2.gz BLDAKDHBMXOTPV-ZJUUUORDSA-N 1 0 212.293 0.280 10 0 BCAERO C[NH2+]C[C@H]1CCN(C(=O)[C@H](C)COC)C1 ZINC000261539764 135178674 /nfs/dbraw/zinc/17/86/74/135178674.db2.gz DCMOXISTDXLVDZ-NXEZZACHSA-N 1 0 214.309 0.337 10 0 BCAERO C[NH2+]CCN(C)C(=O)c1cncnc1C ZINC000261540252 135179269 /nfs/dbraw/zinc/17/92/69/135179269.db2.gz DWILXDLSZQJSRD-UHFFFAOYSA-N 1 0 208.265 0.076 10 0 BCAERO O=C(NCc1ccc(F)cn1)C1C[NH2+]C1 ZINC000261541089 135180775 /nfs/dbraw/zinc/18/07/75/135180775.db2.gz FMWCLYQXGHSEJJ-UHFFFAOYSA-N 1 0 209.224 0.056 10 0 BCAERO O=C(NC[C@@H]1CCC[NH2+]1)[C@H]1C[C@H]1C1CC1 ZINC000261541380 135181069 /nfs/dbraw/zinc/18/10/69/135181069.db2.gz FSSSGLLUDQCJMY-DCAQKATOSA-N 1 0 208.305 0.901 10 0 BCAERO O=C(NC[C@@H]1CCC[NH2+]1)[C@H]1C[C@@H]1C1CC1 ZINC000261541379 135181148 /nfs/dbraw/zinc/18/11/48/135181148.db2.gz FSSSGLLUDQCJMY-AXFHLTTASA-N 1 0 208.305 0.901 10 0 BCAERO Cc1ncc(CNC[C@H]2C[NH2+]C[C@@H]2O)s1 ZINC000261541093 135181300 /nfs/dbraw/zinc/18/13/00/135181300.db2.gz FMXXRPQWRSGNHC-WPRPVWTQSA-N 1 0 227.333 0.121 10 0 BCAERO C[C@H]1CN(Cc2cccc(C(N)=O)c2)C[C@H]1[NH3+] ZINC000261541344 135181319 /nfs/dbraw/zinc/18/13/19/135181319.db2.gz KAVMUGVSTBRBAG-JOYOIKCWSA-N 1 0 233.315 0.565 10 0 BCAERO Cc1cc(C(=O)N[C@H]2CCC[C@H]2C[NH3+])nn1C ZINC000261542879 135183113 /nfs/dbraw/zinc/18/31/13/135183113.db2.gz RFDDOYMTMGMAIQ-UWVGGRQHSA-N 1 0 236.319 0.586 10 0 BCAERO CCC(C)(C)NC(=O)[C@H](C)N1C[C@H](C)[C@H]([NH3+])C1 ZINC000261543477 135183663 /nfs/dbraw/zinc/18/36/63/135183663.db2.gz SWYJADAOVUUOKU-GARJFASQSA-N 1 0 241.379 0.959 10 0 BCAERO C[C@H](O)C1CCN(C(=O)[C@H]2CCC[C@H]2[NH3+])CC1 ZINC000261543822 135184858 /nfs/dbraw/zinc/18/48/58/135184858.db2.gz VKSDLWLKXDNEAQ-ZMLRMANQSA-N 1 0 240.347 0.733 10 0 BCAERO C[NH2+]CCN(C)Cc1ccn(C(F)F)n1 ZINC000261544494 135185060 /nfs/dbraw/zinc/18/50/60/135185060.db2.gz IWIZKSLWCTUAHD-UHFFFAOYSA-N 1 0 218.251 0.929 10 0 BCAERO C[C@H]1CN(C(=O)[C@H]2C[C@H]2C2CC2)CC[NH2+]1 ZINC000261548310 135186805 /nfs/dbraw/zinc/18/68/05/135186805.db2.gz NJBBLZDSMKVZPM-LSJOCFKGSA-N 1 0 208.305 0.853 10 0 BCAERO O=C(NC[C@@H]1CCCC[C@H]1O)[C@H]1CC[NH2+]1 ZINC000261548829 135187423 /nfs/dbraw/zinc/18/74/23/135187423.db2.gz NYGWLFQUUSQPTI-IVZWLZJFSA-N 1 0 212.293 0.016 10 0 BCAERO CN(C(=O)CN1CC[C@H]([NH3+])C(C)(C)C1)C1CC1 ZINC000261548528 135187635 /nfs/dbraw/zinc/18/76/35/135187635.db2.gz JMVNIKUZFPRYRL-NSHDSACASA-N 1 0 239.363 0.666 10 0 BCAERO CC[C@H](C)NC(=O)CN1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261551022 135189778 /nfs/dbraw/zinc/18/97/78/135189778.db2.gz LUEPWKHTMQUCPR-BJDJZHNGSA-N 1 0 239.363 0.570 10 0 BCAERO CN(C(=O)[C@H]1CC12CCCC2)C1C[NH2+]C1 ZINC000261550921 135190008 /nfs/dbraw/zinc/19/00/08/135190008.db2.gz PYQGPRRHWZWDAJ-SNVBAGLBSA-N 1 0 208.305 0.997 10 0 BCAERO C[NH2+]CC(=O)N[C@@H]1[C@@H](C)[C@H](OC)C1(C)C ZINC000261552415 135191546 /nfs/dbraw/zinc/19/15/46/135191546.db2.gz RKAYNLNGMGPENA-QNSHHTMESA-N 1 0 214.309 0.382 10 0 BCAERO C[C@@H](NC(=O)[C@H]1CC[NH2+]1)c1cccnc1 ZINC000261552860 135192056 /nfs/dbraw/zinc/19/20/56/135192056.db2.gz RYTUDJGXTZICQL-PSASIEDQSA-N 1 0 205.261 0.621 10 0 BCAERO CN(C)C(=O)CN(C)C(=O)CC[C@H]1CCC[NH2+]1 ZINC000261552744 135192127 /nfs/dbraw/zinc/19/21/27/135192127.db2.gz NIFJCNGNWWDMIJ-SNVBAGLBSA-N 1 0 241.335 0.065 10 0 BCAERO COC[C@H](C)C(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000261553170 135192390 /nfs/dbraw/zinc/19/23/90/135192390.db2.gz SFKRZQHEBCBULM-LPEHRKFASA-N 1 0 214.309 0.526 10 0 BCAERO Cc1nc(CNC[C@@H]2C[NH2+]C[C@H]2O)cs1 ZINC000261553698 135192648 /nfs/dbraw/zinc/19/26/48/135192648.db2.gz SRCCLXYKTUDNFA-PSASIEDQSA-N 1 0 227.333 0.121 10 0 BCAERO COC[C@@]1(CNc2cc(C)ncn2)CCC[NH2+]1 ZINC000261553881 135193369 /nfs/dbraw/zinc/19/33/69/135193369.db2.gz OJPUTANHYCCVGT-LBPRGKRZSA-N 1 0 236.319 0.966 10 0 BCAERO CN(C)c1nccc(N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)n1 ZINC000261553998 135193631 /nfs/dbraw/zinc/19/36/31/135193631.db2.gz ANURYRXIUKRAGK-DCAQKATOSA-N 1 0 247.346 0.716 10 0 BCAERO CC(C)[C@H]([NH3+])C(=O)NC[C@@H]1CCC[C@H]1O ZINC000084238268 135193717 /nfs/dbraw/zinc/19/37/17/135193717.db2.gz NJVBOGCVFSTAEV-AEJSXWLSSA-N 1 0 214.309 0.247 10 0 BCAERO CC(C)[C@@H]([NH3+])C(=O)NC[C@H]1CCC[C@H]1O ZINC000084238768 135194155 /nfs/dbraw/zinc/19/41/55/135194155.db2.gz NJVBOGCVFSTAEV-OPRDCNLKSA-N 1 0 214.309 0.247 10 0 BCAERO O=C(NC[C@H]1CCC[C@H]1O)[C@@H]1CCC[NH2+]C1 ZINC000084238705 135194439 /nfs/dbraw/zinc/19/44/39/135194439.db2.gz UINJUUSYXCBGQT-GMTAPVOTSA-N 1 0 226.320 0.263 10 0 BCAERO O=C(NC[C@H]1CCC[C@@H]1O)[C@@H]1CCCC[NH2+]1 ZINC000084238731 135194578 /nfs/dbraw/zinc/19/45/78/135194578.db2.gz MYHIXKBVYYQCNO-VWYCJHECSA-N 1 0 226.320 0.406 10 0 BCAERO Cc1csc(CNC[C@@H]2C[NH2+]C[C@H]2O)n1 ZINC000261557329 135197624 /nfs/dbraw/zinc/19/76/24/135197624.db2.gz XFBBZGCSOKDYRA-DTWKUNHWSA-N 1 0 227.333 0.121 10 0 BCAERO Cc1cnc(CN2C[C@H](C)[C@H]([NH3+])C2)cn1 ZINC000261558646 135199514 /nfs/dbraw/zinc/19/95/14/135199514.db2.gz YOLMFPNDFULCDL-GZMMTYOYSA-N 1 0 206.293 0.564 10 0 BCAERO C[NH2+][C@@H](C)CNC(=O)[C@H](O)c1ccccc1 ZINC000261560551 135201042 /nfs/dbraw/zinc/20/10/42/135201042.db2.gz AATFNCBELJNNHL-GXSJLCMTSA-N 1 0 222.288 0.444 10 0 BCAERO CCCNS(=O)(=O)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261561171 135201702 /nfs/dbraw/zinc/20/17/02/135201702.db2.gz AKRNGCHUBDFVEG-SECBINFHSA-N 1 0 249.380 0.290 10 0 BCAERO Cc1nccc(N2CC[C@@H]3C[NH2+]C[C@@H]3C2)n1 ZINC000261560944 135202249 /nfs/dbraw/zinc/20/22/49/135202249.db2.gz AJZSYSGNHQGHFP-GHMZBOCLSA-N 1 0 218.304 0.831 10 0 BCAERO CO[C@@H]1[C@H](C)[C@H](NC(=O)[C@@H](C)[NH3+])C1(C)C ZINC000261561503 135202657 /nfs/dbraw/zinc/20/26/57/135202657.db2.gz AQDAAXVGQYGTDT-LURQLKTLSA-N 1 0 214.309 0.509 10 0 BCAERO C(c1noc(C2CC2)n1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261561622 135202928 /nfs/dbraw/zinc/20/29/28/135202928.db2.gz GAGSMMMNQRYCII-WDEREUQCSA-N 1 0 248.330 0.988 10 0 BCAERO Cc1ccnc(N2CC[C@@H]3C[NH2+]C[C@@H]3C2)n1 ZINC000261562135 135203608 /nfs/dbraw/zinc/20/36/08/135203608.db2.gz BCGHKWCHCZKECP-GHMZBOCLSA-N 1 0 218.304 0.831 10 0 BCAERO CC(C)N(C)C(=O)CN1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261562865 135204386 /nfs/dbraw/zinc/20/43/86/135204386.db2.gz WPTVSPQYWYKHHF-NEPJUHHUSA-N 1 0 239.363 0.537 10 0 BCAERO O=C(CC[C@@H]1CCC[NH2+]1)NC[C@H]1CCC[C@@H]1O ZINC000261563761 135204971 /nfs/dbraw/zinc/20/49/71/135204971.db2.gz XJBGCFWBBNJYGF-WOPDTQHZSA-N 1 0 240.347 0.796 10 0 BCAERO CO[C@@H]1CCN(C(=O)[C@@H]2CCC[C@H]2[NH3+])C1 ZINC000261564869 135206785 /nfs/dbraw/zinc/20/67/85/135206785.db2.gz CVDRVSXQARLTAB-OPRDCNLKSA-N 1 0 212.293 0.361 10 0 BCAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)c1ccc2c(c1)OCO2 ZINC000261565100 135207048 /nfs/dbraw/zinc/20/70/48/135207048.db2.gz HOIIWBKPMQMLMY-PSASIEDQSA-N 1 0 248.282 0.977 10 0 BCAERO CO[C@@H]1CCN(C(=O)[C@H]2CCC[C@H]2[NH3+])C1 ZINC000261564867 135207215 /nfs/dbraw/zinc/20/72/15/135207215.db2.gz CVDRVSXQARLTAB-KXUCPTDWSA-N 1 0 212.293 0.361 10 0 BCAERO Cc1cc(C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)n(C)n1 ZINC000261565989 135207484 /nfs/dbraw/zinc/20/74/84/135207484.db2.gz HZQVMYOFVIKBRF-DCAQKATOSA-N 1 0 248.330 0.538 10 0 BCAERO CC(C)OCC(=O)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261566845 135208457 /nfs/dbraw/zinc/20/84/57/135208457.db2.gz DQBKRFHZSUHGQR-JTQLQIEISA-N 1 0 228.336 0.997 10 0 BCAERO C[C@H]1CN(S(=O)(=O)c2ccco2)C[C@@H]1[NH3+] ZINC000261566875 135208478 /nfs/dbraw/zinc/20/84/78/135208478.db2.gz DRKBWWGWQLXZHS-YUMQZZPRSA-N 1 0 230.289 0.247 10 0 BCAERO O=C(CC[C@H]1CCC[NH2+]1)NC[C@H]1COCCO1 ZINC000261567410 135209150 /nfs/dbraw/zinc/20/91/50/135209150.db2.gz ZSQIXAFKZNUTRZ-MNOVXSKESA-N 1 0 242.319 0.050 10 0 BCAERO COC(=O)[C@H](C)NC(=O)C[C@H]1CCCC[C@@H]1[NH3+] ZINC000261567641 135209304 /nfs/dbraw/zinc/20/93/04/135209304.db2.gz ZZGRBUJVDDNOGT-AEJSXWLSSA-N 1 0 242.319 0.572 10 0 BCAERO C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NC(=O)[C@H]1CCCO1 ZINC000261568419 135210412 /nfs/dbraw/zinc/21/04/12/135210412.db2.gz FONOUPOPVFSGLC-YTWAJWBKSA-N 1 0 226.320 0.668 10 0 BCAERO CC1CCC(C[NH2+]CCNS(C)(=O)=O)CC1 ZINC000084330872 135211337 /nfs/dbraw/zinc/21/13/37/135211337.db2.gz FOOSCMIIQZUMCE-UHFFFAOYSA-N 1 0 248.392 0.952 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)NC[C@H](OC)C(C)C ZINC000261572399 135213890 /nfs/dbraw/zinc/21/38/90/135213890.db2.gz ICROUUQBKJSUPN-ZJUUUORDSA-N 1 0 216.325 0.901 10 0 BCAERO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)CCn3ccnc3)C[C@H]12 ZINC000261571831 135214136 /nfs/dbraw/zinc/21/41/36/135214136.db2.gz LILGWQKLFSSYKK-GRYCIOLGSA-N 1 0 248.330 0.469 10 0 BCAERO [NH3+][C@@H]1CC[C@H]2CN(C(=O)CCn3ccnc3)C[C@@H]12 ZINC000261571833 135214322 /nfs/dbraw/zinc/21/43/22/135214322.db2.gz LILGWQKLFSSYKK-QJPTWQEYSA-N 1 0 248.330 0.469 10 0 BCAERO C[C@H](NC(=O)C[C@@H]1CC[NH2+]C1)[C@H]1CCCO1 ZINC000084381988 135215416 /nfs/dbraw/zinc/21/54/16/135215416.db2.gz CXVTZWMBWAAXEV-GARJFASQSA-N 1 0 226.320 0.670 10 0 BCAERO C[C@H]([NH3+])CN1CCC[C@H](n2cncn2)C1 ZINC000261573856 135215849 /nfs/dbraw/zinc/21/58/49/135215849.db2.gz JAYCSAHPLPAKKA-UWVGGRQHSA-N 1 0 209.297 0.262 10 0 BCAERO Cc1cnc(N2CC[C@H]3[NH2+]CC[C@H]3C2)nc1 ZINC000261574591 135216184 /nfs/dbraw/zinc/21/61/84/135216184.db2.gz JIODNNMDJDVJMO-WDEREUQCSA-N 1 0 218.304 0.973 10 0 BCAERO CC[N@H+](C)CCNC(=O)CC[C@H]1CCC[NH2+]1 ZINC000261576346 135217805 /nfs/dbraw/zinc/21/78/05/135217805.db2.gz KHMNXCFMBXGGMZ-LLVKDONJSA-N 1 0 227.352 0.587 10 0 BCAERO C[NH2+]C[C@H](C)C(=O)NCCC1CCOCC1 ZINC000261576388 135217835 /nfs/dbraw/zinc/21/78/35/135217835.db2.gz KKBQJYMBVCRCAA-JTQLQIEISA-N 1 0 228.336 0.775 10 0 BCAERO CN(C(=O)[C@H]([NH3+])C1CCOCC1)C1CC1 ZINC000261576914 135218371 /nfs/dbraw/zinc/21/83/71/135218371.db2.gz KRDKLHAONIQAPN-SNVBAGLBSA-N 1 0 212.293 0.361 10 0 BCAERO Cc1nc(C)c(C(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)o1 ZINC000261578412 135218949 /nfs/dbraw/zinc/21/89/49/135218949.db2.gz OXRQCMLXNPOARV-WDEREUQCSA-N 1 0 249.314 0.973 10 0 BCAERO CC(C)[C@H]1OCC[C@H]1CNC(=O)CC[NH3+] ZINC000261580083 135220259 /nfs/dbraw/zinc/22/02/59/135220259.db2.gz MQPFKQUZJSBXDN-GXSJLCMTSA-N 1 0 214.309 0.513 10 0 BCAERO Cc1nc([C@@H]2CCCN2C[C@@H](C)[NH3+])no1 ZINC000261582036 135222832 /nfs/dbraw/zinc/22/28/32/135222832.db2.gz NZVHRZJQAHKLNN-APPZFPTMSA-N 1 0 210.281 0.862 10 0 BCAERO Cc1cnc(C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cn1 ZINC000261581289 135222918 /nfs/dbraw/zinc/22/29/18/135222918.db2.gz QNIOFOCGRINUML-GARJFASQSA-N 1 0 246.314 0.594 10 0 BCAERO C[C@H](C[C@H]1CCCO1)NC(=O)C[C@H](C)[NH3+] ZINC000261583071 135224237 /nfs/dbraw/zinc/22/42/37/135224237.db2.gz OVHDURYXGAPDJD-IVZWLZJFSA-N 1 0 214.309 0.798 10 0 BCAERO [NH3+][C@@H]1CC[C@@H]2CN(Cc3cc[nH]n3)C[C@@H]12 ZINC000261583365 135224332 /nfs/dbraw/zinc/22/43/32/135224332.db2.gz OYJSFOZLWHZISI-FBIMIBRVSA-N 1 0 206.293 0.579 10 0 BCAERO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)NC3CCC3)C[C@@H]12 ZINC000261583864 135224879 /nfs/dbraw/zinc/22/48/79/135224879.db2.gz PHQFXXNNKLBBCD-FBIMIBRVSA-N 1 0 223.320 0.918 10 0 BCAERO C[C@H]([NH3+])C(=O)N1CCC[C@H]1c1cnn(C)c1 ZINC000261588283 135229321 /nfs/dbraw/zinc/22/93/21/135229321.db2.gz SHXZZSZOTJVWSW-WPRPVWTQSA-N 1 0 222.292 0.431 10 0 BCAERO Cc1noc(CN2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)n1 ZINC000261591141 135231899 /nfs/dbraw/zinc/23/18/99/135231899.db2.gz VCABHQFCMPJOLT-IVZWLZJFSA-N 1 0 222.292 0.547 10 0 BCAERO Cc1cc(N2CC[C@H]3[NH2+]CC[C@@H]3C2)ncn1 ZINC000261591777 135232436 /nfs/dbraw/zinc/23/24/36/135232436.db2.gz VPRIEWJEJYXFAQ-GHMZBOCLSA-N 1 0 218.304 0.973 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@H]1NS(=O)(=O)CCC1CC1 ZINC000261592381 135232877 /nfs/dbraw/zinc/23/28/77/135232877.db2.gz VUAUOYHGECFRGI-WDEREUQCSA-N 1 0 246.376 0.833 10 0 BCAERO CC1(C)CN(C(=O)[C@H]2CCOC2)CC[C@H]1[NH3+] ZINC000261594313 135234355 /nfs/dbraw/zinc/23/43/55/135234355.db2.gz XLZQHKHZPSYLQB-VHSXEESVSA-N 1 0 226.320 0.609 10 0 BCAERO CC(C)NC(=O)CN1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261596147 135235605 /nfs/dbraw/zinc/23/56/05/135235605.db2.gz YNXGIQMLHPGWIZ-GARJFASQSA-N 1 0 225.336 0.180 10 0 BCAERO Cc1nccnc1N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261596426 135236330 /nfs/dbraw/zinc/23/63/30/135236330.db2.gz YVUWJTSKPPVPGS-GHMZBOCLSA-N 1 0 218.304 0.973 10 0 BCAERO [NH3+][C@@H]1CC[C@@H]2CN(Cc3ccon3)C[C@@H]12 ZINC000261598092 135236686 /nfs/dbraw/zinc/23/66/86/135236686.db2.gz ZKRLMILRFPJGBV-FBIMIBRVSA-N 1 0 207.277 0.844 10 0 BCAERO Cc1ncoc1C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261546253 135238352 /nfs/dbraw/zinc/23/83/52/135238352.db2.gz GTRIUNUMWYLWHL-GUBZILKMSA-N 1 0 235.287 0.792 10 0 BCAERO CO[C@H]1CCCC[C@@H]1NC(=O)C1C[NH2+]C1 ZINC000261546388 135238886 /nfs/dbraw/zinc/23/88/86/135238886.db2.gz KZWCKBCOWQISSA-UWVGGRQHSA-N 1 0 212.293 0.280 10 0 BCAERO COC(C)(C)C[C@H](C)NC(=O)C1C[NH2+]C1 ZINC000261547401 135240267 /nfs/dbraw/zinc/24/02/67/135240267.db2.gz MIBLVSOXMDTGPC-QMMMGPOBSA-N 1 0 214.309 0.526 10 0 BCAERO O=C(NCC1(C2CC2)CCC1)C1C[NH2+]C1 ZINC000261548132 135241478 /nfs/dbraw/zinc/24/14/78/135241478.db2.gz NCVFBJUYMBYMTO-UHFFFAOYSA-N 1 0 208.305 0.902 10 0 BCAERO Cn1nccc1C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261548223 135241976 /nfs/dbraw/zinc/24/19/76/135241976.db2.gz JCWFNBCRPSTQBI-IVZWLZJFSA-N 1 0 234.303 0.229 10 0 BCAERO C[C@@H]1CCN(C(=O)C[C@H]2CCOC2)[C@@H](C[NH3+])C1 ZINC000261665815 135243177 /nfs/dbraw/zinc/24/31/77/135243177.db2.gz CISXCAATBKYMIL-IJLUTSLNSA-N 1 0 240.347 0.999 10 0 BCAERO C[NH2+][C@@H](C)CNC(=O)c1cnc2n[nH]c(C)c2c1 ZINC000261658056 135243493 /nfs/dbraw/zinc/24/34/93/135243493.db2.gz FQYNECDKZRGTPQ-ZETCQYMHSA-N 1 0 247.302 0.604 10 0 BCAERO CC1CC(NC(=O)[C@@H]([NH3+])C2CCOCC2)C1 ZINC000261617127 135244514 /nfs/dbraw/zinc/24/45/14/135244514.db2.gz BXIIRDIRBZZIAE-RFBVYIQQSA-N 1 0 226.320 0.655 10 0 BCAERO C[NH2+][C@@H](C)CNC(=O)[C@@H](C)n1nc(C)cc1C ZINC000261683117 135245935 /nfs/dbraw/zinc/24/59/35/135245935.db2.gz HVDGDLDAHUDVOV-GXSJLCMTSA-N 1 0 238.335 0.785 10 0 BCAERO CCOCCO[C@@H](C)C(=O)NC[C@@H](C)[NH2+]C ZINC000261715403 135247373 /nfs/dbraw/zinc/24/73/73/135247373.db2.gz KIVPAJWMKURBEO-ZJUUUORDSA-N 1 0 232.324 0.152 10 0 BCAERO O=C(NCc1cc(F)ccc1F)C1C[NH2+]C1 ZINC000084412261 135247487 /nfs/dbraw/zinc/24/74/87/135247487.db2.gz KXRLPSDQYMELRI-UHFFFAOYSA-N 1 0 226.226 0.800 10 0 BCAERO O=C(NCCCOCC1CC1)C1C[NH2+]C1 ZINC000084408855 135247625 /nfs/dbraw/zinc/24/76/25/135247625.db2.gz XRHMATXCHWCKEU-UHFFFAOYSA-N 1 0 212.293 0.139 10 0 BCAERO CC(C)COCCCNC(=O)C1C[NH2+]C1 ZINC000084408660 135247892 /nfs/dbraw/zinc/24/78/92/135247892.db2.gz RWHKGJDIFFSRCE-UHFFFAOYSA-N 1 0 214.309 0.385 10 0 BCAERO CN(C[C@@H]1CCCOC1)C(=O)C1C[NH2+]C1 ZINC000084412237 135247930 /nfs/dbraw/zinc/24/79/30/135247930.db2.gz HBCRMJRZCCYIHA-VIFPVBQESA-N 1 0 212.293 0.091 10 0 BCAERO C[C@H](NC(=O)C1C[NH2+]C1)c1cccnc1 ZINC000084408867 135247986 /nfs/dbraw/zinc/24/79/86/135247986.db2.gz CVWAKJFZDLTZRH-QMMMGPOBSA-N 1 0 205.261 0.478 10 0 BCAERO Cc1[nH]n(C)c2nnc(NC(=O)C[C@H](C)[NH3+])c1-2 ZINC000261734071 135248238 /nfs/dbraw/zinc/24/82/38/135248238.db2.gz GARAGRXRDMBYAV-YFKPBYRVSA-N 1 0 236.279 0.281 10 0 BCAERO Cc1ccc([C@@H](O)CNC(=O)C[C@H](C)[NH3+])cc1 ZINC000261734035 135248478 /nfs/dbraw/zinc/24/84/78/135248478.db2.gz GABRGTFTMOFNKT-JQWIXIFHSA-N 1 0 236.315 0.882 10 0 BCAERO CNC(=O)[C@@H]1CCCN1C[C@@]1(C)CC[NH2+]C1 ZINC000261746152 135248841 /nfs/dbraw/zinc/24/88/41/135248841.db2.gz JCGRVUJUUQGFAZ-JQWIXIFHSA-N 1 0 225.336 0.196 10 0 BCAERO CC1(C)C[C@@H]1CNC(=O)[C@@H]([NH3+])C1CCOCC1 ZINC000261743120 135249233 /nfs/dbraw/zinc/24/92/33/135249233.db2.gz KPIQCQATNFSJSP-MNOVXSKESA-N 1 0 240.347 0.903 10 0 BCAERO O=C(N[C@@H](CO)c1ccccc1)C1C[NH2+]C1 ZINC000084412058 135249419 /nfs/dbraw/zinc/24/94/19/135249419.db2.gz WVMOMUWLXHWDLN-NSHDSACASA-N 1 0 220.272 0.056 10 0 BCAERO O=C(N[C@H](CO)c1ccccc1)C1C[NH2+]C1 ZINC000084412055 135249603 /nfs/dbraw/zinc/24/96/03/135249603.db2.gz WVMOMUWLXHWDLN-LLVKDONJSA-N 1 0 220.272 0.056 10 0 BCAERO C[C@H]1OCC[C@H]1NC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000261748125 135249975 /nfs/dbraw/zinc/24/99/75/135249975.db2.gz IVEQJHTZBDCYEC-LMLFDSFASA-N 1 0 226.320 0.798 10 0 BCAERO COC(=O)[C@H](C)CN1CCC[C@H]([NH+](C)C)C1 ZINC000084420174 135251565 /nfs/dbraw/zinc/25/15/65/135251565.db2.gz QANHCWYLZNMBBC-MNOVXSKESA-N 1 0 228.336 0.822 10 0 BCAERO [NH3+][C@H](C(=O)NCc1ccco1)C1CCOCC1 ZINC000261776956 135251783 /nfs/dbraw/zinc/25/17/83/135251783.db2.gz FYNSKFCOFILFQV-NSHDSACASA-N 1 0 238.287 0.650 10 0 BCAERO CSCCCNC(=O)[C@@H]([NH3+])C1CCOCC1 ZINC000261786542 135252539 /nfs/dbraw/zinc/25/25/39/135252539.db2.gz NFWBCVNFSQAHKU-JTQLQIEISA-N 1 0 246.376 0.610 10 0 BCAERO C[NH2+][C@@H](C)CNC(=O)c1cnn2cccnc12 ZINC000261780216 135252825 /nfs/dbraw/zinc/25/28/25/135252825.db2.gz QAMVOSNUOADQIA-QMMMGPOBSA-N 1 0 233.275 0.067 10 0 BCAERO C[NH2+][C@@H](C)CNC(=O)COc1cccc(F)c1 ZINC000261789471 135253317 /nfs/dbraw/zinc/25/33/17/135253317.db2.gz QSJKSUDUMGBDRS-VIFPVBQESA-N 1 0 240.278 0.929 10 0 BCAERO COC[C@@H](C)C(=O)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261792400 135253646 /nfs/dbraw/zinc/25/36/46/135253646.db2.gz IGFIXGKNIQWSFK-ZJUUUORDSA-N 1 0 228.336 0.855 10 0 BCAERO CN(C(=O)[C@@H]1CCC[C@@H]1C[NH3+])c1cnn(C)c1 ZINC000261805940 135254225 /nfs/dbraw/zinc/25/42/25/135254225.db2.gz RJPXBWBWSCUNCQ-MWLCHTKSSA-N 1 0 236.319 0.758 10 0 BCAERO C[C@H]1[NH2+]CCN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])[C@@H]1C ZINC000261805844 135254322 /nfs/dbraw/zinc/25/43/22/135254322.db2.gz MYZPKGSIKPQSKM-DDHJBXDOSA-N 1 0 239.363 0.570 10 0 BCAERO O=C([C@H]1CCC[NH2+]1)N1CCC[C@@H](n2cccn2)C1 ZINC000261813071 135255353 /nfs/dbraw/zinc/25/53/53/135255353.db2.gz WZPUAJYMGIOAMH-VXGBXAGGSA-N 1 0 248.330 0.799 10 0 BCAERO C[C@@H]([NH3+])CC(=O)NCc1cn2c(n1)CCCC2 ZINC000261814292 135255618 /nfs/dbraw/zinc/25/56/18/135255618.db2.gz MBRZJSFWCQTQHT-SECBINFHSA-N 1 0 236.319 0.573 10 0 BCAERO CN(C[C@@H]1CCOC1)C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261825959 135256057 /nfs/dbraw/zinc/25/60/57/135256057.db2.gz TUMGKSWGICAXRQ-QJPTWQEYSA-N 1 0 240.347 0.856 10 0 BCAERO C[C@@H]1CCN(C(=O)[C@@H]([NH3+])C2CCOCC2)[C@@H]1C ZINC000261836051 135256502 /nfs/dbraw/zinc/25/65/02/135256502.db2.gz QHSXGHZOACWZCI-FOGDFJRCSA-N 1 0 240.347 0.997 10 0 BCAERO [NH3+][C@@H]1CCC[C@H]1CC(=O)NC[C@H]1CCC[C@@H]1O ZINC000261855022 135257650 /nfs/dbraw/zinc/25/76/50/135257650.db2.gz WECHOEYMXPLRAA-QCNOEVLYSA-N 1 0 240.347 0.781 10 0 BCAERO [NH3+][C@@H]1CCC[C@H]1CC(=O)NC[C@@H]1CCC[C@H]1O ZINC000261855019 135257675 /nfs/dbraw/zinc/25/76/75/135257675.db2.gz WECHOEYMXPLRAA-NNYUYHANSA-N 1 0 240.347 0.781 10 0 BCAERO C[NH2+][C@@H](C)CNS(=O)(=O)Cc1cc(C)no1 ZINC000261866621 135258071 /nfs/dbraw/zinc/25/80/71/135258071.db2.gz ZBZDKTSJFLUZPC-QMMMGPOBSA-N 1 0 247.320 0.010 10 0 BCAERO CCc1noc(C)c1C(=O)NC[C@H](C)[NH2+]C ZINC000261867743 135258471 /nfs/dbraw/zinc/25/84/71/135258471.db2.gz ZGJIADIDPBFCTR-ZETCQYMHSA-N 1 0 225.292 0.883 10 0 BCAERO C[C@@H]1CCCN1C(=O)CCN1CC[NH2+]C[C@@H]1C ZINC000261906125 135261946 /nfs/dbraw/zinc/26/19/46/135261946.db2.gz XEHIACMWJXUEEH-NEPJUHHUSA-N 1 0 239.363 0.681 10 0 BCAERO COC[C@@H](C)CNC(=O)[C@H]([NH3+])C1CCOCC1 ZINC000261904522 135262068 /nfs/dbraw/zinc/26/20/68/135262068.db2.gz WWKSWGMANUQEDH-GXSJLCMTSA-N 1 0 244.335 0.139 10 0 BCAERO C[C@H]1OCCN(C(=O)[C@@H]2CC[C@H](C[NH3+])O2)[C@H]1C ZINC000261919222 135262209 /nfs/dbraw/zinc/26/22/09/135262209.db2.gz YKZGLJQNDSGQDE-ZDCRXTMVSA-N 1 0 242.319 0.129 10 0 BCAERO COC(=O)C(C)(C)CCN1CCC[C@H]1C[NH3+] ZINC000261938089 135264506 /nfs/dbraw/zinc/26/45/06/135264506.db2.gz MJGIGEBDEWRTJX-JTQLQIEISA-N 1 0 228.336 0.999 10 0 BCAERO COC(=O)C(C)(C)CCN1CCC[C@@H]1C[NH3+] ZINC000261938090 135264550 /nfs/dbraw/zinc/26/45/50/135264550.db2.gz MJGIGEBDEWRTJX-SNVBAGLBSA-N 1 0 228.336 0.999 10 0 BCAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)NC[C@H]1CCCO1 ZINC000261978700 135268861 /nfs/dbraw/zinc/26/88/61/135268861.db2.gz OIDAWEMTAWZJLU-GMTAPVOTSA-N 1 0 226.320 0.657 10 0 BCAERO C[C@@H]1CN(Cc2ccnc(N(C)C)n2)C[C@H]1[NH3+] ZINC000261979048 135269174 /nfs/dbraw/zinc/26/91/74/135269174.db2.gz JAXBJTKJGXYDRV-MWLCHTKSSA-N 1 0 235.335 0.322 10 0 BCAERO CCn1c(C)nnc1CN1CCC[C@H](C[NH3+])C1 ZINC000262002096 135271541 /nfs/dbraw/zinc/27/15/41/135271541.db2.gz QDRBCEVWVROUOB-LLVKDONJSA-N 1 0 237.351 0.777 10 0 BCAERO [NH3+][C@H](C(=O)Nc1cn[nH]c1)C1CCOCC1 ZINC000262006387 135272444 /nfs/dbraw/zinc/27/24/44/135272444.db2.gz NVECZXDUJWOEJW-VIFPVBQESA-N 1 0 224.264 0.102 10 0 BCAERO O=C(CCc1ccccc1)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262087710 135277568 /nfs/dbraw/zinc/27/75/68/135277568.db2.gz CULDXMYTLUZGLE-OLZOCXBDSA-N 1 0 248.326 0.316 10 0 BCAERO Cc1ccc(C)c(C(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)c1 ZINC000262115506 135279366 /nfs/dbraw/zinc/27/93/66/135279366.db2.gz FPHDXFHHFSILCV-AAEUAGOBSA-N 1 0 248.326 0.614 10 0 BCAERO C[C@@H]1CN(Cc2cnc3cnccn23)C[C@@H]1[NH3+] ZINC000262109263 135279368 /nfs/dbraw/zinc/27/93/68/135279368.db2.gz WFSZIWIDURZMAD-KOLCDFICSA-N 1 0 231.303 0.508 10 0 BCAERO Cc1ccc(C(=O)NC[C@H]2C[NH2+]C[C@@H]2O)s1 ZINC000262112740 135279848 /nfs/dbraw/zinc/27/98/48/135279848.db2.gz FKVYZSISVKOLMM-BDAKNGLRSA-N 1 0 240.328 0.367 10 0 BCAERO COC(=O)C(C)(C)CCN1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000262133107 135280577 /nfs/dbraw/zinc/28/05/77/135280577.db2.gz YIHVKWVEBQZSDI-ZJUUUORDSA-N 1 0 228.336 0.855 10 0 BCAERO C[C@H]1CCC[C@H]1NC(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000262133893 135280602 /nfs/dbraw/zinc/28/06/02/135280602.db2.gz OIQHWHQHDMAGAF-AXTSPUMRSA-N 1 0 212.293 0.014 10 0 BCAERO C[C@H]1CN(Cc2ccnc(N(C)C)n2)[C@@H](C)C[NH2+]1 ZINC000262122175 135280837 /nfs/dbraw/zinc/28/08/37/135280837.db2.gz XIZJUBXSVJWXTO-QWRGUYRKSA-N 1 0 249.362 0.725 10 0 BCAERO Cc1cccc(C(=O)NC[C@@H]2C[NH2+]C[C@H]2O)c1C ZINC000262140415 135281524 /nfs/dbraw/zinc/28/15/24/135281524.db2.gz HCVUUZSYGAGJOL-WCQYABFASA-N 1 0 248.326 0.614 10 0 BCAERO Cc1ccccc1CC(=O)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000262144475 135281595 /nfs/dbraw/zinc/28/15/95/135281595.db2.gz HJSLSKMEYZTDIB-QWHCGFSZSA-N 1 0 248.326 0.234 10 0 BCAERO C[C@H]([NH3+])C(=O)N1CCC(C2(C)OCCO2)CC1 ZINC000262154709 135282037 /nfs/dbraw/zinc/28/20/37/135282037.db2.gz SIFFCKNGEWFEIW-VIFPVBQESA-N 1 0 242.319 0.335 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N1CC[C@H](CC(C)C)C1 ZINC000262162948 135283012 /nfs/dbraw/zinc/28/30/12/135283012.db2.gz ACUZWCPACQDKRQ-GHMZBOCLSA-N 1 0 228.336 0.855 10 0 BCAERO O[C@H]1C[NH2+]C[C@@H]1CNCc1ccccc1F ZINC000262165097 135283341 /nfs/dbraw/zinc/28/33/41/135283341.db2.gz UFYOBXYODPNSKO-JQWIXIFHSA-N 1 0 224.279 0.496 10 0 BCAERO Cc1ccccc1[C@@H](O)CNC(=O)C1C[NH2+]C1 ZINC000262175268 135283837 /nfs/dbraw/zinc/28/38/37/135283837.db2.gz CZTPSMFLSNHUAV-LBPRGKRZSA-N 1 0 234.299 0.364 10 0 BCAERO COC[C@H]([NH3+])C(=O)N(C)CCc1nccs1 ZINC000262173011 135283986 /nfs/dbraw/zinc/28/39/86/135283986.db2.gz AXCHMWLLCVKOQE-QMMMGPOBSA-N 1 0 243.332 0.118 10 0 BCAERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1ccccc1F ZINC000262215456 135285502 /nfs/dbraw/zinc/28/55/02/135285502.db2.gz JCBGKKRWMONWJC-KCJUWKMLSA-N 1 0 238.262 0.136 10 0 BCAERO COC[C@H]([NH3+])C(=O)Nc1ccn(CC(F)F)n1 ZINC000262229599 135286048 /nfs/dbraw/zinc/28/60/48/135286048.db2.gz GPLZEKWKDGEYKO-LURJTMIESA-N 1 0 248.233 0.060 10 0 BCAERO COC[C@@H]([NH3+])C(=O)Nc1ccc(Cl)cc1O ZINC000262237926 135287336 /nfs/dbraw/zinc/28/73/36/135287336.db2.gz HMRCEOFMGIKXOL-SSDOTTSWSA-N 1 0 244.678 0.958 10 0 BCAERO Cc1ccsc1C(=O)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262245221 135287513 /nfs/dbraw/zinc/28/75/13/135287513.db2.gz LDFYCBHXFPHCAT-BDAKNGLRSA-N 1 0 240.328 0.367 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N1CCc2ccsc2C1 ZINC000262245956 135287673 /nfs/dbraw/zinc/28/76/73/135287673.db2.gz IENQTTHJBAHSOE-SECBINFHSA-N 1 0 240.328 0.607 10 0 BCAERO COC[C@H]([NH3+])C(=O)N[C@@H]1CCCC[C@H]1OC ZINC000262261812 135288000 /nfs/dbraw/zinc/28/80/00/135288000.db2.gz JMSGKMIBXWUGII-IVZWLZJFSA-N 1 0 230.308 0.034 10 0 BCAERO COC[C@H]([NH3+])C(=O)N1CCc2cccc(F)c21 ZINC000262252158 135288388 /nfs/dbraw/zinc/28/83/88/135288388.db2.gz ISXJVAZKEKUYNW-JTQLQIEISA-N 1 0 238.262 0.689 10 0 BCAERO Cc1ccc(C(=O)NC[C@H]2C[NH2+]C[C@H]2O)c(C)n1 ZINC000262273247 135288799 /nfs/dbraw/zinc/28/87/99/135288799.db2.gz NEIKQEQXZBSXDY-ZYHUDNBSSA-N 1 0 249.314 0.009 10 0 BCAERO CCC(C)(C)CC(=O)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000262282661 135290127 /nfs/dbraw/zinc/29/01/27/135290127.db2.gz OBCIQFOCOFVOTJ-UWVGGRQHSA-N 1 0 228.336 0.509 10 0 BCAERO COC[C@H]([NH3+])C(=O)N[C@H]1C[C@@H]1Cc1ccccc1 ZINC000262302591 135291184 /nfs/dbraw/zinc/29/11/84/135291184.db2.gz OBJCYESEEVBEJE-AVGNSLFASA-N 1 0 248.326 0.708 10 0 BCAERO COC[C@@H]([NH3+])C(=O)Nc1ccc(SC)cn1 ZINC000262319632 135292761 /nfs/dbraw/zinc/29/27/61/135292761.db2.gz FBPKUZOBBVQEST-MRVPVSSYSA-N 1 0 241.316 0.716 10 0 BCAERO C[C@H](C[NH3+])C(=O)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000262330329 135292887 /nfs/dbraw/zinc/29/28/87/135292887.db2.gz GNYWAZRAUIEQKH-NXEZZACHSA-N 1 0 236.319 0.331 10 0 BCAERO COC[C@H]([NH3+])C(=O)Nc1cnn(C(C)(C)C)c1 ZINC000262323984 135293195 /nfs/dbraw/zinc/29/31/95/135293195.db2.gz QSIQIWLFKCZTBJ-VIFPVBQESA-N 1 0 240.307 0.550 10 0 BCAERO COC[C@H]([NH3+])C(=O)N[C@@H]1C[C@](C)(OC)C1(C)C ZINC000262329297 135293299 /nfs/dbraw/zinc/29/32/99/135293299.db2.gz RKEFRYOHKJKIMT-SBMIAAHKSA-N 1 0 244.335 0.280 10 0 BCAERO CC(C)(C)SCC(=O)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000262339005 135293637 /nfs/dbraw/zinc/29/36/37/135293637.db2.gz SXSADSOBJOSUTM-DTWKUNHWSA-N 1 0 246.376 0.215 10 0 BCAERO C[NH2+]CCC(=O)NC[C@H]1CCO[C@@H]1C(C)C ZINC000262354161 135294358 /nfs/dbraw/zinc/29/43/58/135294358.db2.gz JLPHWZUWLRKKTR-ZYHUDNBSSA-N 1 0 228.336 0.773 10 0 BCAERO C[C@H](C(=O)NCc1ccc(=O)[nH]c1)C1C[NH2+]C1 ZINC000262343676 135294396 /nfs/dbraw/zinc/29/43/96/135294396.db2.gz IFVPSQCXCXXPAF-QMMMGPOBSA-N 1 0 235.287 0.259 10 0 BCAERO COC[C@@H]([NH3+])C(=O)NCCc1ccccc1O ZINC000262356192 135294840 /nfs/dbraw/zinc/29/48/40/135294840.db2.gz VAXZAGZFOAAYFU-SNVBAGLBSA-N 1 0 238.287 0.025 10 0 BCAERO Cc1ccc(C(=O)NC[C@H]2C[NH2+]C[C@H]2O)cc1 ZINC000262412057 135295216 /nfs/dbraw/zinc/29/52/16/135295216.db2.gz ZJCLDPJETMXLAN-VXGBXAGGSA-N 1 0 234.299 0.305 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)NC1(C(N)=O)CCCCC1 ZINC000262411098 135295661 /nfs/dbraw/zinc/29/56/61/135295661.db2.gz DJPOGNUMCLKBPS-SECBINFHSA-N 1 0 241.335 0.418 10 0 BCAERO COC[C@H]([NH3+])C(=O)NC[C@@H]1CCO[C@@H]1C(C)C ZINC000262388227 135298661 /nfs/dbraw/zinc/29/86/61/135298661.db2.gz YOXHMQPJHUUXKU-GARJFASQSA-N 1 0 244.335 0.137 10 0 BCAERO CC(C)[C@H]1OCC[C@H]1CNC(=O)CCC[NH3+] ZINC000262443717 135299692 /nfs/dbraw/zinc/29/96/92/135299692.db2.gz BSTFEWNRLIBQDG-CMPLNLGQSA-N 1 0 228.336 0.903 10 0 BCAERO C[C@H]1C[C@@H](C(=O)/N=c2/sccn2C)CC[NH2+]1 ZINC000262459326 135300172 /nfs/dbraw/zinc/30/01/72/135300172.db2.gz VPLKIPPFUZWYIP-FMZKWHAASA-N 1 0 239.344 0.902 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N[C@@H]1CCCC[C@H]1C(N)=O ZINC000262463948 135300752 /nfs/dbraw/zinc/30/07/52/135300752.db2.gz LLPMBSRNJIHYHQ-KXUCPTDWSA-N 1 0 241.335 0.274 10 0 BCAERO C[C@H](C(=O)N1[C@H](C)COC[C@@H]1C)C1C[NH2+]C1 ZINC000262554747 135305885 /nfs/dbraw/zinc/30/58/85/135305885.db2.gz PHYUQXHWSHRCIK-AEJSXWLSSA-N 1 0 226.320 0.478 10 0 BCAERO C[C@@H](C(=O)N1[C@H](C)COC[C@@H]1C)C1C[NH2+]C1 ZINC000262554750 135305899 /nfs/dbraw/zinc/30/58/99/135305899.db2.gz PHYUQXHWSHRCIK-KXUCPTDWSA-N 1 0 226.320 0.478 10 0 BCAERO CCC[C@](C)([NH3+])C(=O)N1C[C@@H](O)[C@@H](CC)C1 ZINC000262569607 135306328 /nfs/dbraw/zinc/30/63/28/135306328.db2.gz MNPNTZKHVMFQJS-UMNHJUIQSA-N 1 0 228.336 0.733 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N(C)C(C1CC1)C1CC1 ZINC000262586517 135307235 /nfs/dbraw/zinc/30/72/35/135307235.db2.gz VLMFSOAXBNJXLK-SNVBAGLBSA-N 1 0 226.320 0.607 10 0 BCAERO CCC[C@H]([NH3+])C(=O)NC[C@@H](C)CC(=O)OCC ZINC000262596078 135307652 /nfs/dbraw/zinc/30/76/52/135307652.db2.gz WRUSJMOPRZJCDB-UWVGGRQHSA-N 1 0 244.335 0.819 10 0 BCAERO C[N@H+](CC1CC(O)C1)[C@H]1CCCC[C@@H]1O ZINC000084452639 135308401 /nfs/dbraw/zinc/30/84/01/135308401.db2.gz DEIGYVQDNIAGLQ-QQFIATSDSA-N 1 0 213.321 0.993 10 0 BCAERO CCOC[C@H](O)C[N@H+](C)CC1CC(O)C1 ZINC000084452642 135308775 /nfs/dbraw/zinc/30/87/75/135308775.db2.gz IGJCVOFQUXHPGG-VQXHTEKXSA-N 1 0 217.309 0.087 10 0 BCAERO COc1c(CNC2=[NH+]CCCN2)c(C)nn1C ZINC000262689013 135313543 /nfs/dbraw/zinc/31/35/43/135313543.db2.gz VPBGAMRWNLGOEJ-UHFFFAOYSA-N 1 0 237.307 0.176 10 0 BCAERO Cc1nnc2c(NC[C@@H]3CCC[NH2+]C3)nccn12 ZINC000079471054 135322184 /nfs/dbraw/zinc/32/21/84/135322184.db2.gz UHPQMKCXUMZOCM-SNVBAGLBSA-N 1 0 246.318 0.844 10 0 BCAERO c1nnc2c(NC[C@H]3CCC[NH2+]C3)nccn12 ZINC000079471064 135322348 /nfs/dbraw/zinc/32/23/48/135322348.db2.gz UTZYJFKHKCETBY-VIFPVBQESA-N 1 0 232.291 0.536 10 0 BCAERO Cc1nnc2c(NCC[C@@H]3CC[NH2+]C3)nccn12 ZINC000079471465 135322690 /nfs/dbraw/zinc/32/26/90/135322690.db2.gz DUTGGEJTFLVBDN-JTQLQIEISA-N 1 0 246.318 0.844 10 0 BCAERO C[C@H](Nc1nccn2cnnc12)[C@@H]1CCC[NH2+]C1 ZINC000079471121 135322702 /nfs/dbraw/zinc/32/27/02/135322702.db2.gz FOLVALADMVNSKM-VHSXEESVSA-N 1 0 246.318 0.924 10 0 BCAERO CN1CC[NH2+]C[C@H]1c1noc(C(C)(C)C)n1 ZINC000263109018 135333229 /nfs/dbraw/zinc/33/32/29/135333229.db2.gz ADPUPQAHMWGJTL-QMMMGPOBSA-N 1 0 224.308 0.943 10 0 BCAERO Cc1ccncc1CNC[C@@H]1C[NH2+]C[C@@H]1O ZINC000263219347 135340268 /nfs/dbraw/zinc/34/02/68/135340268.db2.gz LNIVJASKCUHBEM-NEPJUHHUSA-N 1 0 221.304 0.060 10 0 BCAERO O[C@@H]1C[NH2+]C[C@@H]1CNCc1cc(F)ccc1F ZINC000263229048 135340728 /nfs/dbraw/zinc/34/07/28/135340728.db2.gz NEBSPVJOBZDUEM-JOYOIKCWSA-N 1 0 242.269 0.635 10 0 BCAERO O[C@@H]1C[NH2+]C[C@H]1CNCc1ccc(F)cc1 ZINC000263224754 135340869 /nfs/dbraw/zinc/34/08/69/135340869.db2.gz MQAYMPPGMXEZHU-ZYHUDNBSSA-N 1 0 224.279 0.496 10 0 BCAERO COc1cccc(CNC[C@H]2C[NH2+]C[C@H]2O)c1 ZINC000263224162 135341020 /nfs/dbraw/zinc/34/10/20/135341020.db2.gz MNVLKWBBGGSPTO-WCQYABFASA-N 1 0 236.315 0.365 10 0 BCAERO CN1CC[NH2+]C[C@@H]1c1noc(-c2ccccn2)n1 ZINC000263238837 135341718 /nfs/dbraw/zinc/34/17/18/135341718.db2.gz OIBRKTVBYLXDAT-SNVBAGLBSA-N 1 0 245.286 0.708 10 0 BCAERO C[C@H]1CCCC[C@H]1OCCNC(=O)C1C[NH2+]C1 ZINC000263240462 135341959 /nfs/dbraw/zinc/34/19/59/135341959.db2.gz CCXXBFVXZCRQKC-CMPLNLGQSA-N 1 0 240.347 0.917 10 0 BCAERO O=C(NC[C@@H](O)c1ccccc1F)C1C[NH2+]C1 ZINC000263236781 135342070 /nfs/dbraw/zinc/34/20/70/135342070.db2.gz BRTOAWLEUYYZRY-LLVKDONJSA-N 1 0 238.262 0.195 10 0 BCAERO CCC1(CC)[C@H](NC(=O)C2C[NH2+]C2)C[C@H]1OC ZINC000263262555 135343378 /nfs/dbraw/zinc/34/33/78/135343378.db2.gz GSRFLLNMPMXOPI-GHMZBOCLSA-N 1 0 240.347 0.916 10 0 BCAERO Cc1c[nH]cc1-c1nc([C@@H]2C[NH2+]CCN2C)no1 ZINC000263265660 135343406 /nfs/dbraw/zinc/34/34/06/135343406.db2.gz RNLHWKJSVZCCHI-JTQLQIEISA-N 1 0 247.302 0.949 10 0 BCAERO O[C@@H]1C[NH2+]C[C@H]1CNCc1ccc2c[nH]nc2c1 ZINC000263270641 135343422 /nfs/dbraw/zinc/34/34/22/135343422.db2.gz SCNCVMOTAPMGJJ-DGCLKSJQSA-N 1 0 246.314 0.233 10 0 BCAERO CCc1cnc(CNC[C@H]2C[NH2+]C[C@H]2O)s1 ZINC000263267847 135343518 /nfs/dbraw/zinc/34/35/18/135343518.db2.gz RTWVUWVXGHVVHL-PSASIEDQSA-N 1 0 241.360 0.375 10 0 BCAERO CC(C)Cc1nc([C@@H]2C[NH2+]CCN2C)no1 ZINC000263280371 135344295 /nfs/dbraw/zinc/34/42/95/135344295.db2.gz UDYBRXWOLQYDTG-VIFPVBQESA-N 1 0 224.308 0.844 10 0 BCAERO Cc1ccc([C@@H](O)CNC(=O)C2C[NH2+]C2)cc1 ZINC000263296909 135344891 /nfs/dbraw/zinc/34/48/91/135344891.db2.gz MPFJITPZUJTDSV-LBPRGKRZSA-N 1 0 234.299 0.364 10 0 BCAERO O=C(NCc1ccn2ccnc2c1)C1C[NH2+]C1 ZINC000263294810 135345185 /nfs/dbraw/zinc/34/51/85/135345185.db2.gz MEIHTZTXPRMSRS-UHFFFAOYSA-N 1 0 230.271 0.170 10 0 BCAERO O[C@@H]1C[NH2+]C[C@H]1CNCc1cc(F)cc(F)c1 ZINC000263315477 135345878 /nfs/dbraw/zinc/34/58/78/135345878.db2.gz ZJIMBJDLRBYXNE-BXKDBHETSA-N 1 0 242.269 0.635 10 0 BCAERO Cc1nc(CCNC(=O)C2C[NH2+]C2)sc1C ZINC000263308104 135345952 /nfs/dbraw/zinc/34/59/52/135345952.db2.gz OUUXMXOOQPSJIQ-UHFFFAOYSA-N 1 0 239.344 0.638 10 0 BCAERO Cc1ccc(CNC[C@@H]2C[NH2+]C[C@@H]2O)cc1F ZINC000263306143 135346162 /nfs/dbraw/zinc/34/61/62/135346162.db2.gz XWZQZVYPAUHCPB-YPMHNXCESA-N 1 0 238.306 0.804 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N(C)CC(F)(F)F ZINC000082559448 135439040 /nfs/dbraw/zinc/43/90/40/135439040.db2.gz GYTMKYLOYHOXHA-RNFRBKRXSA-N 1 0 224.226 0.863 10 0 BCAERO [NH3+]CCCC(=O)NC[C@@H]1CCCC[C@H]1O ZINC000082994719 135443212 /nfs/dbraw/zinc/44/32/12/135443212.db2.gz LMPISJMVKPWTFH-VHSXEESVSA-N 1 0 214.309 0.393 10 0 BCAERO C[C@@H](C[NH3+])CNc1ncnc2nc[nH]c21 ZINC000083387647 135447203 /nfs/dbraw/zinc/44/72/03/135447203.db2.gz GMBOCICAOLFYMV-LURJTMIESA-N 1 0 206.253 0.360 10 0 BCAERO O=C(NC[C@H]1CCCC[C@H]1O)[C@@H]1CCC[NH2+]C1 ZINC000085985880 135489516 /nfs/dbraw/zinc/48/95/16/135489516.db2.gz SUZZQWMJOGGSSC-IJLUTSLNSA-N 1 0 240.347 0.653 10 0 BCAERO O=C(C[C@@H]1CCC[NH2+]1)NC[C@H]1CCCC[C@@H]1O ZINC000085988749 135489685 /nfs/dbraw/zinc/48/96/85/135489685.db2.gz OEIUJWBVIARYRQ-WOPDTQHZSA-N 1 0 240.347 0.796 10 0 BCAERO COc1ncc(Cl)c(N2CC[C@@H](C[NH3+])C2)n1 ZINC000087799136 135513331 /nfs/dbraw/zinc/51/33/31/135513331.db2.gz SHQYOSSUMYHKFA-ZETCQYMHSA-N 1 0 242.710 0.924 10 0 BCAERO C[C@@H]1CN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])[C@H](C)CO1 ZINC000089450756 135535183 /nfs/dbraw/zinc/53/51/83/135535183.db2.gz XTSFAFRLFUJMIC-DDHJBXDOSA-N 1 0 240.347 0.997 10 0 BCAERO CN(C[C@H]1CCCO1)C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089460401 135536256 /nfs/dbraw/zinc/53/62/56/135536256.db2.gz GNOLFQPKVZLQRI-IJLUTSLNSA-N 1 0 240.347 0.999 10 0 BCAERO CN(C(=O)c1cnn(C)c1)[C@H]1CCC[NH2+]CC1 ZINC000231479420 135603066 /nfs/dbraw/zinc/60/30/66/135603066.db2.gz NXNRMTFPJPSWKA-NSHDSACASA-N 1 0 236.319 0.634 10 0 BCAERO CCCN(CCC)C(=O)CN1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000233062205 135682303 /nfs/dbraw/zinc/68/23/03/135682303.db2.gz RZZDWRYJXURHRI-NEPJUHHUSA-N 1 0 241.379 0.914 10 0 BCAERO O=C1[C@H](N2CC[C@@]3(CCC[NH2+]3)C2)CCN1C1CC1 ZINC000334979387 135856743 /nfs/dbraw/zinc/85/67/43/135856743.db2.gz GFXKMTBNMGGHDF-OCCSQVGLSA-N 1 0 249.358 0.578 10 0 BCAERO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)N1CC(O)C1 ZINC000156239486 397756738 /nfs/dbraw/zinc/75/67/38/397756738.db2.gz KYNFDYHABMFLCZ-ZDUSSCGKSA-N 1 0 248.326 0.362 10 0 BCAERO COC[C@@H](C)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000103534158 397780574 /nfs/dbraw/zinc/78/05/74/397780574.db2.gz ZNENDTCKAMAMNV-MNOVXSKESA-N 1 0 240.347 0.869 10 0 BCAERO O=C(N[C@H]1CCCOC1)[C@H]1C[NH2+]CCC1(F)F ZINC000643993080 397744677 /nfs/dbraw/zinc/74/46/77/397744677.db2.gz JCIZLJKTCUQMEQ-DTWKUNHWSA-N 1 0 248.273 0.526 10 0 BCAERO Cn1cc(NC(=O)N2CC[C@H]([NH+](C)C)C2)cn1 ZINC000171072753 397826772 /nfs/dbraw/zinc/82/67/72/397826772.db2.gz AYKDIEAMQWJMEE-JTQLQIEISA-N 1 0 237.307 0.588 10 0 BCAERO [NH3+]CCN1C[C@H](c2nc[nH]n2)Nc2ccccc21 ZINC000616686286 397927273 /nfs/dbraw/zinc/92/72/73/397927273.db2.gz ZIMFXBYKXFFVAK-SNVBAGLBSA-N 1 0 244.302 0.737 10 0 BCAERO CN(CC(F)F)C(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000158020785 397941845 /nfs/dbraw/zinc/94/18/45/397941845.db2.gz PZJPNPZFOUVICN-BQBZGAKWSA-N 1 0 206.236 0.837 10 0 BCAERO O=S1(=O)CCC[C@@]2(CC1)[NH2+]CCS2 ZINC000575461998 397942768 /nfs/dbraw/zinc/94/27/68/397942768.db2.gz FOKJVISEOWPYHG-MRVPVSSYSA-N 1 0 221.347 0.618 10 0 BCAERO [NH3+][C@@H]1CCO[C@@H]1[C@@H](O)c1ccns1 ZINC000575463705 397946617 /nfs/dbraw/zinc/94/66/17/397946617.db2.gz QUTNVQCBGYRGAC-DTLFHODZSA-N 1 0 200.263 0.293 10 0 BCAERO O[C@H](c1ccsn1)[C@H]1CSCC[NH2+]1 ZINC000575470544 397955189 /nfs/dbraw/zinc/95/51/89/397955189.db2.gz CZJLNXKTLQFQCV-HTQZYQBOSA-N 1 0 216.331 0.882 10 0 BCAERO OCC[C@H]1c2ccccc2CC[N@H+]1CCO ZINC000616678221 397921594 /nfs/dbraw/zinc/92/15/94/397921594.db2.gz CIBDBCABTZJYTI-ZDUSSCGKSA-N 1 0 221.300 0.961 10 0 BCAERO F[C@H]1COCC[C@@H]1NC1CC[NH2+]CC1 ZINC000146016520 398014327 /nfs/dbraw/zinc/01/43/27/398014327.db2.gz CQVABQWSZBOBLN-UWVGGRQHSA-N 1 0 202.273 0.455 10 0 BCAERO C[C@H](C(N)=S)[N@@H+]1CCCOC[C@H]1C ZINC000307185236 398016728 /nfs/dbraw/zinc/01/67/28/398016728.db2.gz RXQQFDHXEBHZMH-HTQZYQBOSA-N 1 0 202.323 0.772 10 0 BCAERO CC(C)(O)C[N@@H+]1CC[C@H](O)C(C)(C)C1 ZINC000307534787 398050376 /nfs/dbraw/zinc/05/03/76/398050376.db2.gz OLJCIVLHNUKWNP-VIFPVBQESA-N 1 0 201.310 0.850 10 0 BCAERO CCN(C)[C@H]1CC2(CC[C@H]1[NH3+])OCCO2 ZINC000249906153 398021475 /nfs/dbraw/zinc/02/14/75/398021475.db2.gz HMJMXCPDWSXRRC-ZJUUUORDSA-N 1 0 214.309 0.561 10 0 BCAERO C[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCCCO2)C1 ZINC000122309460 398022116 /nfs/dbraw/zinc/02/21/16/398022116.db2.gz GXNHUXAKBAPQAD-WDEREUQCSA-N 1 0 226.320 0.718 10 0 BCAERO O=[S@@](c1cccs1)[C@@H]1C[NH2+]C[C@H]1O ZINC000307264425 398047963 /nfs/dbraw/zinc/04/79/63/398047963.db2.gz FMYWQUPXUCDFJS-FRSIUCEKSA-N 1 0 217.315 0.188 10 0 BCAERO C[NH2+][C@H](C)C(=O)Nc1ccc(NC(N)=O)cc1 ZINC000054074155 398025431 /nfs/dbraw/zinc/02/54/31/398025431.db2.gz TYMJTRYATMNXAM-SSDOTTSWSA-N 1 0 236.275 0.724 10 0 BCAERO O=C(NCC1CCCC1)[C@H]1C[NH2+]CCOC1 ZINC000643634320 398031264 /nfs/dbraw/zinc/03/12/64/398031264.db2.gz AEDDYEMLOFBBMK-NSHDSACASA-N 1 0 226.320 0.529 10 0 BCAERO CC(C)CCCNC(=O)[C@@H]1C[NH2+]CCOC1 ZINC000643634340 398031325 /nfs/dbraw/zinc/03/13/25/398031325.db2.gz CRXULIYAZIRQDA-LLVKDONJSA-N 1 0 228.336 0.775 10 0 BCAERO [NH3+][C@@H]1CCC[C@H]1CNC(=O)C(F)(F)F ZINC000307118535 397980106 /nfs/dbraw/zinc/98/01/06/397980106.db2.gz QUFKWYBXXNPBRC-NTSWFWBYSA-N 1 0 210.199 0.792 10 0 BCAERO C[C@H]1CC[C@H](NC(=O)[C@@H]2C[NH2+]CCOC2)CC1 ZINC000643688137 398063799 /nfs/dbraw/zinc/06/37/99/398063799.db2.gz NEMIUBWDWKBGSM-IJLUTSLNSA-N 1 0 240.347 0.917 10 0 BCAERO C[C@H]1C[C@@H](O)C[N@H+](Cc2cnn(C)c2)C1 ZINC000334747727 398066626 /nfs/dbraw/zinc/06/66/26/398066626.db2.gz VQXSJGFPIKBXAM-GXSJLCMTSA-N 1 0 209.293 0.623 10 0 BCAERO C[C@H](C(N)=S)[N@H+](C)[C@@H]1CCN(C)C1 ZINC000307316950 398077091 /nfs/dbraw/zinc/07/70/91/398077091.db2.gz NZTONSNVKMFLFB-HTQZYQBOSA-N 1 0 201.339 0.297 10 0 BCAERO Cc1noc(CNC(=O)[C@H]2CCC[NH2+][C@H]2C)n1 ZINC000384245924 398079763 /nfs/dbraw/zinc/07/97/63/398079763.db2.gz KIVUSNZGNRNGTI-CBAPKCEASA-N 1 0 238.291 0.382 10 0 BCAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N(C)Cc1nc[nH]n1 ZINC000384403702 398087397 /nfs/dbraw/zinc/08/73/97/398087397.db2.gz PVBPJJDCEXKWSX-IUCAKERBSA-N 1 0 237.307 0.151 10 0 BCAERO CO[C@@H](C)CC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000116785462 398089927 /nfs/dbraw/zinc/08/99/27/398089927.db2.gz ZUQCGCYCJNQESU-QWRGUYRKSA-N 1 0 244.335 0.200 10 0 BCAERO CC[C@@H]1C[N@H+](C[C@@](C)(O)CC)C[C@H]1O ZINC000400031188 398057456 /nfs/dbraw/zinc/05/74/56/398057456.db2.gz HJEMIILRDWSSOF-MXWKQRLJSA-N 1 0 201.310 0.850 10 0 BCAERO O=C(NCC1CC=CC1)[C@@H]1C[NH2+]CCOC1 ZINC000638494173 398102798 /nfs/dbraw/zinc/10/27/98/398102798.db2.gz SSFSENPDAAGKSS-LLVKDONJSA-N 1 0 224.304 0.305 10 0 BCAERO CC(C)[N@H+](C[C@@H](C)O)C[C@H]1CNC(=O)O1 ZINC000496381176 398097776 /nfs/dbraw/zinc/09/77/76/398097776.db2.gz GQKPBEMREVDCJD-RKDXNWHRSA-N 1 0 216.281 0.186 10 0 BCAERO CCN1CCO[C@H](C[NH2+][C@@H]2C[C@H](C)O[C@@H]2C)C1 ZINC000384946116 398118887 /nfs/dbraw/zinc/11/88/87/398118887.db2.gz RAKVIEYLAPIJOE-UMSGYPCISA-N 1 0 242.363 0.863 10 0 BCAERO [NH3+]C[C@@H]1C[C@@H](F)CN1Cc1ncccn1 ZINC000396434472 398111412 /nfs/dbraw/zinc/11/14/12/398111412.db2.gz YIPDFACMUHONGW-BDAKNGLRSA-N 1 0 210.256 0.348 10 0 BCAERO CCc1cnc(CNC(=O)[C@@]2(C)CCC[NH2+]2)o1 ZINC000231645133 398113408 /nfs/dbraw/zinc/11/34/08/398113408.db2.gz IBYMASYGXVYRMN-GFCCVEGCSA-N 1 0 237.303 0.995 10 0 BCAERO O=C(Nc1cccnc1)[C@@H]1C[NH2+]CCOC1 ZINC000649275527 398133278 /nfs/dbraw/zinc/13/32/78/398133278.db2.gz HPMIOIDOUVNWPJ-SECBINFHSA-N 1 0 221.260 0.256 10 0 BCAERO CC(C)NC(=O)CCN1CCC[NH2+]CC1 ZINC000054047540 167039290 /nfs/dbraw/zinc/03/92/90/167039290.db2.gz DDSLGEDAUXKYCL-UHFFFAOYSA-N 1 0 213.325 0.196 10 0 BCAERO CC(C)NC(=O)C[NH2+][C@@H]1CCN2CCC[C@H]12 ZINC000049568200 167057557 /nfs/dbraw/zinc/05/75/57/167057557.db2.gz LELNTTUOJDTOLM-GHMZBOCLSA-N 1 0 225.336 0.337 10 0 BCAERO CC(C)NC(=O)CNC(=O)[C@H]1CCC[C@H](C)[NH2+]1 ZINC000036782037 167056346 /nfs/dbraw/zinc/05/63/46/167056346.db2.gz XUALAWHWCIDLJA-VHSXEESVSA-N 1 0 241.335 0.158 10 0 BCAERO CC(C)NC(=O)CNC(=O)[C@H]1[NH2+]CCC[C@H]1C ZINC000051792876 167056716 /nfs/dbraw/zinc/05/67/16/167056716.db2.gz RTLGRFWGZJFLMU-KOLCDFICSA-N 1 0 241.335 0.015 10 0 BCAERO CC(C)NC(=O)CNC(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000055087468 167056727 /nfs/dbraw/zinc/05/67/27/167056727.db2.gz CVXDOYNXRCNKLI-UWVGGRQHSA-N 1 0 241.335 0.145 10 0 BCAERO CC(C)NC(=O)C[NH2+][C@H]1CCCC[C@H]1O ZINC000037691533 167060084 /nfs/dbraw/zinc/06/00/84/167060084.db2.gz BDLXAKJXIVJCRD-VHSXEESVSA-N 1 0 214.309 0.404 10 0 BCAERO CC(C)NC(=O)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000105062993 167067290 /nfs/dbraw/zinc/06/72/90/167067290.db2.gz IYWQZIHITZXHSS-SNVBAGLBSA-N 1 0 213.325 0.988 10 0 BCAERO COC(CN1[C@H](C)C[NH2+]C[C@@H]1C)OC ZINC000077004039 173960602 /nfs/dbraw/zinc/96/06/02/173960602.db2.gz YCXFTCSBCMUZJR-DTORHVGOSA-N 1 0 202.298 0.288 10 0 BCAERO CC(C)[NH2+]CCC(=O)N1CCOC[C@@H]1C ZINC000037480200 167099963 /nfs/dbraw/zinc/09/99/63/167099963.db2.gz MKNMMRUDIUPMJN-JTQLQIEISA-N 1 0 214.309 0.622 10 0 BCAERO CC(C)[NH2+]CCCC(=O)NC[C@H]1COCCO1 ZINC000038062189 167100022 /nfs/dbraw/zinc/10/00/22/167100022.db2.gz GQRARERMLATTTA-NSHDSACASA-N 1 0 244.335 0.296 10 0 BCAERO CC(C)[NH2+][C@H](C)C(=O)N1CCOCC1 ZINC000020299165 167137709 /nfs/dbraw/zinc/13/77/09/167137709.db2.gz MMCTZVDZQHNSQS-SECBINFHSA-N 1 0 200.282 0.232 10 0 BCAERO CCC[C@H](C)NC(=O)C1([NH3+])CCOCC1 ZINC000149632995 487558634 /nfs/dbraw/zinc/55/86/34/487558634.db2.gz LPECMZADBHFIDO-VIFPVBQESA-N 1 0 214.309 0.799 10 0 BCAERO CO[C@H]1C[C@@H](CO)[N@H+](Cc2oc(C)nc2C)C1 ZINC000685584296 487559533 /nfs/dbraw/zinc/55/95/33/487559533.db2.gz XWMZCISAFMNSPJ-QWRGUYRKSA-N 1 0 240.303 0.873 10 0 BCAERO O=C(CCOCC(F)F)NC[C@H]1CC[NH2+]C1 ZINC000232337820 487559554 /nfs/dbraw/zinc/55/95/54/487559554.db2.gz GEGSIDPQNVAUJZ-QMMMGPOBSA-N 1 0 236.262 0.384 10 0 BCAERO CCCCOC[C@H](O)C[NH2+]CC(C)(C)CO ZINC000227895058 487562674 /nfs/dbraw/zinc/56/26/74/487562674.db2.gz UDASPURAXBTDDF-LLVKDONJSA-N 1 0 233.352 0.772 10 0 BCAERO O=S1(=O)CC[C@H]([NH2+][C@@H]2CO[C@H](C3CC3)C2)C1 ZINC000667470242 487564674 /nfs/dbraw/zinc/56/46/74/487564674.db2.gz SMDGXWPCMDDOLB-DCAQKATOSA-N 1 0 245.344 0.331 10 0 BCAERO CC(C)[C@H](NC(=O)[C@H]1C[C@@H](O)C[NH2+]1)C1CC1 ZINC000324268660 487566106 /nfs/dbraw/zinc/56/61/06/487566106.db2.gz NCFOFFSMRHAQBC-MXWKQRLJSA-N 1 0 226.320 0.260 10 0 BCAERO C[C@H]1CN(S(=O)(=O)CC2CC2)C[C@@H]1[NH3+] ZINC000235689390 177273120 /nfs/dbraw/zinc/27/31/20/177273120.db2.gz KXZDCLLLTPHJPX-CBAPKCEASA-N 1 0 218.322 0.005 10 0 BCAERO CC(C)OCC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000122180092 167182276 /nfs/dbraw/zinc/18/22/76/167182276.db2.gz BBVHWTMPTDLETL-NSHDSACASA-N 1 0 226.320 0.718 10 0 BCAERO C[NH+](C)[C@@H]1CCN(C[C@@H](O)C(F)(F)F)C1 ZINC000225433237 487575937 /nfs/dbraw/zinc/57/59/37/487575937.db2.gz XUGQLACOWJGMJQ-HTQZYQBOSA-N 1 0 226.242 0.546 10 0 BCAERO CC(C)OCCCNC(=O)C[N@H+](C)C[C@@H](C)O ZINC000051821410 167219332 /nfs/dbraw/zinc/21/93/32/167219332.db2.gz NWODANXZDKRWAV-LLVKDONJSA-N 1 0 246.351 0.230 10 0 BCAERO C[C@@H]1C[C@H](O)C[N@@H+]1C[C@@H]1CCC[C@H](O)C1 ZINC000308914584 487581775 /nfs/dbraw/zinc/58/17/75/487581775.db2.gz NLHBHSFTVBNWKJ-WYUUTHIRSA-N 1 0 213.321 0.993 10 0 BCAERO C[NH2+]CCC(=O)NC[C@H](O)C(C)(C)C ZINC000324371936 487583711 /nfs/dbraw/zinc/58/37/11/487583711.db2.gz UHCKFEBUZKZOJJ-QMMMGPOBSA-N 1 0 202.298 0.119 10 0 BCAERO CC(C)[NH2+]CCC(=O)NC[C@H](O)C(C)(C)C ZINC000324379479 487587981 /nfs/dbraw/zinc/58/79/81/487587981.db2.gz VZWVXYJPAIJRFC-JTQLQIEISA-N 1 0 230.352 0.898 10 0 BCAERO CC(C)(O)C[NH2+]Cc1cc(=O)n2ccccc2n1 ZINC000087027310 487598943 /nfs/dbraw/zinc/59/89/43/487598943.db2.gz ROKVXSYMDCJILS-UHFFFAOYSA-N 1 0 247.298 0.555 10 0 BCAERO CC(C)S(=O)(=O)NCC1CCC([NH3+])CC1 ZINC000095936465 167319529 /nfs/dbraw/zinc/31/95/29/167319529.db2.gz XXSNGMFYNHETTM-UHFFFAOYSA-N 1 0 234.365 0.832 10 0 BCAERO CC(C)S(=O)(=O)N1CCC[NH2+]CC1 ZINC000037657155 167319805 /nfs/dbraw/zinc/31/98/05/167319805.db2.gz IDFUBGVYMCLCIF-UHFFFAOYSA-N 1 0 206.311 0.020 10 0 BCAERO CC(C)S(=O)(=O)n1ccc(C[NH3+])c1 ZINC000077297339 167321313 /nfs/dbraw/zinc/32/13/13/167321313.db2.gz YNTWKJJCBWPHHI-UHFFFAOYSA-N 1 0 202.279 0.533 10 0 BCAERO COCCCCNC(=O)[C@@H]1CCC[NH2+][C@H]1C ZINC000087122728 487608781 /nfs/dbraw/zinc/60/87/81/487608781.db2.gz RNEGNCZDJSDAJD-WDEREUQCSA-N 1 0 228.336 0.917 10 0 BCAERO COC[C@H](C)NC(=O)[C@@H]1CCC[NH2+][C@H]1C ZINC000087121705 487609857 /nfs/dbraw/zinc/60/98/57/487609857.db2.gz KHZFIUFOEXAQRJ-LPEHRKFASA-N 1 0 214.309 0.526 10 0 BCAERO Cc1nsc(NC(=O)[C@H]2CCC[NH2+]C2)n1 ZINC000131768711 409565055 /nfs/dbraw/zinc/56/50/55/409565055.db2.gz OOAVSRIAMQOZTJ-ZETCQYMHSA-N 1 0 226.305 0.785 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)N(C)Cc1cn(C)nn1 ZINC000662688335 409832585 /nfs/dbraw/zinc/83/25/85/409832585.db2.gz KUHZCVUJEIGQAK-SNVBAGLBSA-N 1 0 239.323 0.147 10 0 BCAERO CC[C@H](C)CCNC(=O)[C@H]([NH3+])COC ZINC000662626420 409796772 /nfs/dbraw/zinc/79/67/72/409796772.db2.gz HBUXTANDEIVKLZ-DTWKUNHWSA-N 1 0 202.298 0.513 10 0 BCAERO COC[C@H](C[N@@H+]1C[C@H](O)CC[C@H]1C)OC ZINC000660832193 409809976 /nfs/dbraw/zinc/80/99/76/409809976.db2.gz JDRHCISJYWPMET-MXWKQRLJSA-N 1 0 217.309 0.493 10 0 BCAERO O=C(C[C@@H]1C=CCC1)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000653138811 409861660 /nfs/dbraw/zinc/86/16/60/409861660.db2.gz KLWLLMGMPBKNEZ-VWYCJHECSA-N 1 0 224.304 0.039 10 0 BCAERO CC[N@H+](CCO)C[C@@H]1CCC[C@H](O)C1 ZINC000308573501 409882277 /nfs/dbraw/zinc/88/22/77/409882277.db2.gz LNBXAHODFBPLGS-MNOVXSKESA-N 1 0 201.310 0.852 10 0 BCAERO OC[C@@H]1CC[N@H+](C[C@@H]2CCC[C@@H](O)C2)C1 ZINC000308947176 409966541 /nfs/dbraw/zinc/96/65/41/409966541.db2.gz WODPOURHVRNZRN-IJLUTSLNSA-N 1 0 213.321 0.852 10 0 BCAERO CO[C@@H]1CCCN(C(=O)[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000662835568 409945770 /nfs/dbraw/zinc/94/57/70/409945770.db2.gz PMBWAYYUDBQVBX-IJLUTSLNSA-N 1 0 240.347 0.869 10 0 BCAERO CC[C@H]([NH3+])C(=O)NCCn1cc(C)cn1 ZINC000226675481 487611784 /nfs/dbraw/zinc/61/17/84/487611784.db2.gz CXHZVOTYROXIAX-VIFPVBQESA-N 1 0 210.281 0.045 10 0 BCAERO Cc1cn(C)nc1NC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000662970265 409999175 /nfs/dbraw/zinc/99/91/75/409999175.db2.gz HNPILCFKKHVEGF-IUCAKERBSA-N 1 0 222.292 0.794 10 0 BCAERO CCOc1cc(N[C@@H](C)C[NH2+]C)ncn1 ZINC000663278576 410093129 /nfs/dbraw/zinc/09/31/29/410093129.db2.gz KDAJTWFDPJEVEA-QMMMGPOBSA-N 1 0 210.281 0.895 10 0 BCAERO C[C@@H]1SCC[C@H]1NC(=O)[C@@H]1C[NH2+]CCOC1 ZINC000653176073 410152138 /nfs/dbraw/zinc/15/21/38/410152138.db2.gz JQBSGMKPWZCBRL-IVZWLZJFSA-N 1 0 244.360 0.233 10 0 BCAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)[C@@H]1CCCCO1 ZINC000309058260 410211610 /nfs/dbraw/zinc/21/16/10/410211610.db2.gz UODNVQUKEHEFQH-BBBLOLIVSA-N 1 0 212.293 0.504 10 0 BCAERO Brc1cnc2c(n1)CC[NH2+]C2 ZINC000095764163 166103999 /nfs/dbraw/zinc/10/39/99/166103999.db2.gz VSONXUDKJDMOBZ-UHFFFAOYSA-N 1 0 214.066 0.885 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)NCc1nccn1C ZINC000129057800 410367336 /nfs/dbraw/zinc/36/73/36/410367336.db2.gz AYAUDAHPRPAHEQ-SECBINFHSA-N 1 0 224.308 0.410 10 0 BCAERO Cc1cc(NC(=O)[C@H]2CCC[NH2+][C@H]2C)no1 ZINC000335593628 410448691 /nfs/dbraw/zinc/44/86/91/410448691.db2.gz JEQPSFCFFGWFJP-IUCAKERBSA-N 1 0 223.276 1.310 10 0 BCAERO C[C@@H]1[C@@H](O)CCC[N@@H+]1CC(=O)NC(C)(C)C ZINC000335598201 410450476 /nfs/dbraw/zinc/45/04/76/410450476.db2.gz VLXQLMZKGHVWFL-ZJUUUORDSA-N 1 0 228.336 0.746 10 0 BCAERO C[C@H]1[C@H](O)CCC[N@@H+]1CC(=O)NC(C)(C)C ZINC000335598200 410450584 /nfs/dbraw/zinc/45/05/84/410450584.db2.gz VLXQLMZKGHVWFL-VHSXEESVSA-N 1 0 228.336 0.746 10 0 BCAERO C[C@H]([NH3+])CNc1ccc2nccnc2n1 ZINC000087201186 487616455 /nfs/dbraw/zinc/61/64/55/487616455.db2.gz AOKXNGYHHWJKNE-ZETCQYMHSA-N 1 0 203.249 0.784 10 0 BCAERO CC(C)(C)C(=O)N(CC(N)=O)[C@H]1CCC[NH2+]C1 ZINC000037653925 166524615 /nfs/dbraw/zinc/52/46/15/166524615.db2.gz NWYVKFHKDMSHQA-VIFPVBQESA-N 1 0 241.335 0.098 10 0 BCAERO CC(C)(C)NC(=O)CNC(=O)C1([NH3+])CCCC1 ZINC000037616142 166614321 /nfs/dbraw/zinc/61/43/21/166614321.db2.gz HCPCCPFCRKOJGN-UHFFFAOYSA-N 1 0 241.335 0.289 10 0 BCAERO CCc1nnsc1C(=O)N1CC[C@@H]([NH3+])[C@H]1C ZINC000309271193 410700558 /nfs/dbraw/zinc/70/05/58/410700558.db2.gz GFTCNFOLURRQIM-RNFRBKRXSA-N 1 0 240.332 0.662 10 0 BCAERO CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CC[NH3+])C1 ZINC000082347432 166656588 /nfs/dbraw/zinc/65/65/88/166656588.db2.gz NRXMWPPJNLOBBI-BDAKNGLRSA-N 1 0 230.308 0.563 10 0 BCAERO CC(C)(C)OC(=O)[C@H](N)[C@H]1CCC[NH2+]C1 ZINC000090623455 166673058 /nfs/dbraw/zinc/67/30/58/166673058.db2.gz IUEZPMQGUVYLKP-DTWKUNHWSA-N 1 0 214.309 0.655 10 0 BCAERO CCOCCC(=O)N1CC[C@H]([NH3+])[C@H]1C ZINC000308553544 410720692 /nfs/dbraw/zinc/72/06/92/410720692.db2.gz TXKKFEZLANRZFB-BDAKNGLRSA-N 1 0 200.282 0.361 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)NCCCn1cncn1 ZINC000394440423 410797251 /nfs/dbraw/zinc/79/72/51/410797251.db2.gz BYVQRNOTLGVKOL-SNVBAGLBSA-N 1 0 239.323 0.158 10 0 BCAERO CC(C)[N@H+](CCOCCO)C[C@@H]1CCCN1C ZINC000395319185 410844908 /nfs/dbraw/zinc/84/49/08/410844908.db2.gz KZVIVIHGYCUJAB-ZDUSSCGKSA-N 1 0 244.379 0.800 10 0 BCAERO C[C@H](CO)[C@H](C)[NH2+]C[C@H]1CCCN1C ZINC000395339006 410847601 /nfs/dbraw/zinc/84/76/01/410847601.db2.gz YLLLICCWQHXXSD-OUAUKWLOSA-N 1 0 200.326 0.687 10 0 BCAERO CC(C)C[C@H]([NH3+])C(=O)N[C@H]1CCC[C@@H](O)C1 ZINC000040462103 410873370 /nfs/dbraw/zinc/87/33/70/410873370.db2.gz XAKHLWNNBCWYLO-AXFHLTTASA-N 1 0 228.336 0.780 10 0 BCAERO CO[C@H]1C[NH2+][C@@H](C(=O)N(C)C2CCCC2)C1 ZINC000040631534 410883644 /nfs/dbraw/zinc/88/36/44/410883644.db2.gz JICWWYCWADAKSW-GHMZBOCLSA-N 1 0 226.320 0.764 10 0 BCAERO CC(C)C[NH2+]C1(C(=O)[O-])CC[NH2+]CC1 ZINC000040695408 167002724 /nfs/dbraw/zinc/00/27/24/167002724.db2.gz MERARXSMVSSLON-UHFFFAOYSA-N 1 0 200.282 0.439 10 0 BCAERO CC(C)C[NH2+][C@@]1(C(N)=O)CN2CCC1CC2 ZINC000037946291 167012868 /nfs/dbraw/zinc/01/28/68/167012868.db2.gz XATKQEJCZUIRFS-LBPRGKRZSA-N 1 0 225.336 0.182 10 0 BCAERO CC(C)C[NH2+][C@@]1(CO)CN2CCC1CC2 ZINC000038122242 167013684 /nfs/dbraw/zinc/01/36/84/167013684.db2.gz VMMYWQWNTFSTEQ-GFCCVEGCSA-N 1 0 212.337 0.689 10 0 BCAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2ccnnc2)C1 ZINC000132837087 167027809 /nfs/dbraw/zinc/02/78/09/167027809.db2.gz DKBYIYDTCPTUNL-PWSUYJOCSA-N 1 0 248.330 0.935 10 0 BCAERO CC(C)NC(=[NH2+])Nc1ccc2c(c1)C(=O)NC2=O ZINC000052069097 167034606 /nfs/dbraw/zinc/03/46/06/167034606.db2.gz IEUZKXHPLJTPIM-UHFFFAOYSA-N 1 0 246.270 0.915 10 0 BCAERO CC(C)NC(=[NH2+])N1CC[C@H](N2CCOCC2)C1 ZINC000062985252 167036048 /nfs/dbraw/zinc/03/60/48/167036048.db2.gz DCKQNUGWVNYGDJ-NSHDSACASA-N 1 0 240.351 0.326 10 0 BCAERO CC(C)NC(=O)C1(C[NH3+])CCOCC1 ZINC000044753697 167036845 /nfs/dbraw/zinc/03/68/45/167036845.db2.gz HFAHMQHBUFQRDJ-UHFFFAOYSA-N 1 0 200.282 0.267 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)N1CCc2n[nH]nc2C1 ZINC000396837875 410904419 /nfs/dbraw/zinc/90/44/19/410904419.db2.gz ABVLTTDRDDCYOZ-MRVPVSSYSA-N 1 0 237.307 0.063 10 0 BCAERO CC(C)NC(=O)CN(C)C(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000091548965 167045689 /nfs/dbraw/zinc/04/56/89/167045689.db2.gz JHTOWASCNAXHOF-VHSXEESVSA-N 1 0 241.335 0.097 10 0 BCAERO CC(C)NC(=O)CN(C)[C@@H]1CCC[C@@H]1[NH3+] ZINC000042609843 167049787 /nfs/dbraw/zinc/04/97/87/167049787.db2.gz GEJSXYHNHQBJQW-VHSXEESVSA-N 1 0 213.325 0.323 10 0 BCAERO CC(C)NC(=O)CN[C@@H](C)[C@H]1CCC[N@H+](C)C1 ZINC000036781497 167059654 /nfs/dbraw/zinc/05/96/54/167059654.db2.gz BJJFANGMLXAJSD-RYUDHWBXSA-N 1 0 241.379 0.831 10 0 BCAERO CC(C)NC(=O)C[NH2+][C@H]1CCC[C@@H]1O ZINC000037690206 167060284 /nfs/dbraw/zinc/06/02/84/167060284.db2.gz SSAOTRSXDGFTHQ-IUCAKERBSA-N 1 0 200.282 0.014 10 0 BCAERO CC(C)[NH2+]CCC(=O)N1CCC[C@@H](O)C1 ZINC000037654945 167100132 /nfs/dbraw/zinc/10/01/32/167100132.db2.gz JSHARLITYPUWJR-SNVBAGLBSA-N 1 0 214.309 0.358 10 0 BCAERO CC(C)[NH2+]CCN(C)CCN1CCOCC1 ZINC000042691154 167102114 /nfs/dbraw/zinc/10/21/14/167102114.db2.gz FTWJEAROPYTZIB-UHFFFAOYSA-N 1 0 229.368 0.248 10 0 BCAERO CC(C)NC(=O)CN(C)CC[NH2+]C(C)C ZINC000043500965 167102932 /nfs/dbraw/zinc/10/29/32/167102932.db2.gz KEWCCUQXBDAQOA-UHFFFAOYSA-N 1 0 215.341 0.441 10 0 BCAERO CC(C)[NH2+]CCn1nc2ccccn2c1=O ZINC000042409999 167108196 /nfs/dbraw/zinc/10/81/96/167108196.db2.gz GLZYTWYKRUOAEC-UHFFFAOYSA-N 1 0 220.276 0.494 10 0 BCAERO CC(C)[NH2+]CCOc1ncnc2c1cnn2C ZINC000051871666 167109048 /nfs/dbraw/zinc/10/90/48/167109048.db2.gz KYDJGWAMZPGVAK-UHFFFAOYSA-N 1 0 235.291 0.740 10 0 BCAERO CC(C)[NH2+]C[C@H](O)CN(C)Cc1ccncc1 ZINC000036775807 167114100 /nfs/dbraw/zinc/11/41/00/167114100.db2.gz GJHRDXXRJKYNNF-ZDUSSCGKSA-N 1 0 237.347 0.872 10 0 BCAERO Cc1nccc(C(=O)N2CC[C@@H]([NH3+])[C@H]2C)n1 ZINC000396899610 410905479 /nfs/dbraw/zinc/90/54/79/410905479.db2.gz WNSLXJDDDZEZSA-VXNVDRBHSA-N 1 0 220.276 0.347 10 0 BCAERO CC(C)[NH2+]Cc1nnc(-c2cn[nH]c2)o1 ZINC000062780039 167124386 /nfs/dbraw/zinc/12/43/86/167124386.db2.gz ABUACJDHLDCADL-UHFFFAOYSA-N 1 0 207.237 0.958 10 0 BCAERO CC(C)[NH2+][C@@H]1CCC(=O)N[C@H]1[C@@H]1CCCO1 ZINC000377739424 167135439 /nfs/dbraw/zinc/13/54/39/167135439.db2.gz HGPYWIONDKRHCQ-JFGNBEQYSA-N 1 0 226.320 0.811 10 0 BCAERO CC(C)OCC(=O)N1CC[C@H]([NH3+])[C@H]1C ZINC000335915609 167182907 /nfs/dbraw/zinc/18/29/07/167182907.db2.gz MFXUDZPRPSHUME-BDAKNGLRSA-N 1 0 200.282 0.360 10 0 BCAERO CC(C)OCC(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000162579691 167188275 /nfs/dbraw/zinc/18/82/75/167188275.db2.gz KLOZTACUYRIVKF-VHSXEESVSA-N 1 0 214.309 0.655 10 0 BCAERO CC(C)OCCOC(=O)[C@@H](C)N1CC[NH2+]CC1 ZINC000051658577 167246562 /nfs/dbraw/zinc/24/65/62/167246562.db2.gz IIUYSCBRKJAHOJ-LLVKDONJSA-N 1 0 244.335 0.248 10 0 BCAERO CC(C)OCCO[C@H](C)C(=O)N1CC[NH2+]CC1 ZINC000019486550 167248555 /nfs/dbraw/zinc/24/85/55/167248555.db2.gz MALYJWAQQQXYQQ-LLVKDONJSA-N 1 0 244.335 0.248 10 0 BCAERO CC(C)Oc1ncccc1CNC(=O)[C@@H](C)[NH3+] ZINC000042391904 167313725 /nfs/dbraw/zinc/31/37/25/167313725.db2.gz GWCXKONSIFWRHG-SECBINFHSA-N 1 0 237.303 0.832 10 0 BCAERO CC(C)Oc1nc[nH+]c(NN(C)C)c1N ZINC000040760051 167316233 /nfs/dbraw/zinc/31/62/33/167316233.db2.gz GALNMMVUEDNVAF-UHFFFAOYSA-N 1 0 211.269 0.735 10 0 BCAERO CC(C)[C@@H](C)N(C)C(=O)N1CC[NH2+]CC1 ZINC000036787035 167365028 /nfs/dbraw/zinc/36/50/28/167365028.db2.gz WSRSNRZNPHGCIQ-SNVBAGLBSA-N 1 0 213.325 0.988 10 0 BCAERO CC(C)[C@@H](C)[NH2+][C@H]1CC(=O)N(C2CC2)C1=O ZINC000036851503 167385493 /nfs/dbraw/zinc/38/54/93/167385493.db2.gz OLUHHSCYVCEGBD-SCZZXKLOSA-N 1 0 224.304 0.910 10 0 BCAERO CC(C)[C@@H](CC[NH3+])C(=O)NC[C@@H]1CCCO1 ZINC000076613118 167389617 /nfs/dbraw/zinc/38/96/17/167389617.db2.gz SYNKCULKSYPKEG-WDEREUQCSA-N 1 0 228.336 0.903 10 0 BCAERO CC(C)[C@@H](CC[NH3+])C(=O)NC[C@H]1CCCO1 ZINC000076613122 167389656 /nfs/dbraw/zinc/38/96/56/167389656.db2.gz SYNKCULKSYPKEG-GHMZBOCLSA-N 1 0 228.336 0.903 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)N[C@@H](C)c1ncon1 ZINC000398018794 410940966 /nfs/dbraw/zinc/94/09/66/410940966.db2.gz SVOMYZWYJAPJMU-JGVFFNPUSA-N 1 0 226.280 0.620 10 0 BCAERO CC(C)[C@@H](CN(C)C)[NH2+][C@H](C)C(=O)NC1CC1 ZINC000049205438 167394999 /nfs/dbraw/zinc/39/49/99/167394999.db2.gz SUFTVGVIUMDSSE-ZYHUDNBSSA-N 1 0 241.379 0.829 10 0 BCAERO CC(C)[C@@H](C[NH3+])C(=O)N1CCC[C@H](O)C1 ZINC000044804683 167395733 /nfs/dbraw/zinc/39/57/33/167395733.db2.gz CNAOQSFXXPLHJR-VHSXEESVSA-N 1 0 214.309 0.201 10 0 BCAERO CC(C)[C@@H](C[NH3+])C(=O)N1CCCC[C@H]1C(N)=O ZINC000044807060 167395828 /nfs/dbraw/zinc/39/58/28/167395828.db2.gz HCQGZZYFGBSJQH-ZJUUUORDSA-N 1 0 241.335 0.084 10 0 BCAERO C[C@H]([NH2+][C@@H]1CCC[C@H]1O)c1cnn(C)c1 ZINC000246354342 487619655 /nfs/dbraw/zinc/61/96/55/487619655.db2.gz HYLKZAKQCLSUFR-JMJZKYOTSA-N 1 0 209.293 0.984 10 0 BCAERO CCN(CC)S(=O)(=O)N[C@@H]1CCCC[C@@H]1[NH3+] ZINC000038050416 169794407 /nfs/dbraw/zinc/79/44/07/169794407.db2.gz YKJCFGPOIJNXES-VHSXEESVSA-N 1 0 249.380 0.433 10 0 BCAERO CO[C@@H](C[NH2+]C1CCN(CCO)CC1)C1CC1 ZINC000399039821 411008221 /nfs/dbraw/zinc/00/82/21/411008221.db2.gz QRWQNLPYMUTXDS-ZDUSSCGKSA-N 1 0 242.363 0.458 10 0 BCAERO C[C@@H]1CN(C(=O)[C@H]2CCCOC2)C[C@H]1[NH3+] ZINC000300047743 411079151 /nfs/dbraw/zinc/07/91/51/411079151.db2.gz FLRLJZRWNCECBN-KXUCPTDWSA-N 1 0 212.293 0.219 10 0 BCAERO CC1(C(=O)N[C@H]2CCC[C@@H](O)C2)C[NH2+]C1 ZINC000399285967 411030939 /nfs/dbraw/zinc/03/09/39/411030939.db2.gz KQCQOXJQHKVABS-DTWKUNHWSA-N 1 0 212.293 0.016 10 0 BCAERO COCC1(C[N@@H+]2CCO[C@@H](CO)C2)CCC1 ZINC000309396092 411163127 /nfs/dbraw/zinc/16/31/27/411163127.db2.gz ULZBSNLEQKSCBH-LLVKDONJSA-N 1 0 229.320 0.496 10 0 BCAERO COCC1(C[N@@H+]2CCO[C@H](CO)C2)CCC1 ZINC000309396094 411163380 /nfs/dbraw/zinc/16/33/80/411163380.db2.gz ULZBSNLEQKSCBH-NSHDSACASA-N 1 0 229.320 0.496 10 0 BCAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)NCc1cc(C)on1 ZINC000044727126 411140148 /nfs/dbraw/zinc/14/01/48/411140148.db2.gz GFDWZIMPTSBGBE-GMSGAONNSA-N 1 0 225.292 0.973 10 0 BCAERO C[C@@H](C[NH3+])C(=O)NCC[C@@H]1CCCO1 ZINC000044808384 411140869 /nfs/dbraw/zinc/14/08/69/411140869.db2.gz SXCABNMUILOJBL-IUCAKERBSA-N 1 0 200.282 0.267 10 0 BCAERO C[C@H]([NH3+])CNc1ncnc2c1CN(C)CC2 ZINC000212470274 411147455 /nfs/dbraw/zinc/14/74/55/411147455.db2.gz BYBQAWYMZLATHX-QMMMGPOBSA-N 1 0 221.308 0.224 10 0 BCAERO CC1(C)C[NH2+][C@H]1C(=O)N[C@@H]1CCCOC1 ZINC000309514838 411157532 /nfs/dbraw/zinc/15/75/32/411157532.db2.gz RAAIWRZXDNFZJO-BDAKNGLRSA-N 1 0 212.293 0.280 10 0 BCAERO C[NH2+][C@H](C)CNC(=O)[C@H](C)OCC(C)C ZINC000309514911 411157882 /nfs/dbraw/zinc/15/78/82/411157882.db2.gz RCANZJIOYCWJED-ZJUUUORDSA-N 1 0 216.325 0.772 10 0 BCAERO [NH3+]CCCCC(=O)N[C@@H]1CCCOC1 ZINC000069734400 411158709 /nfs/dbraw/zinc/15/87/09/411158709.db2.gz XUTZZEAGKXTMNK-SECBINFHSA-N 1 0 200.282 0.411 10 0 BCAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)CC[C@H]1CCCO1 ZINC000309364006 411107893 /nfs/dbraw/zinc/10/78/93/411107893.db2.gz ZWOPXJXDRYICRI-GMTAPVOTSA-N 1 0 226.320 0.894 10 0 BCAERO C[C@H]1[C@H]([NH3+])CCN1C(=O)CCOCC(F)F ZINC000309355827 411108186 /nfs/dbraw/zinc/10/81/86/411108186.db2.gz YISLEQXTIIUFDT-JGVFFNPUSA-N 1 0 236.262 0.606 10 0 BCAERO C[NH2+]CCC(=O)N[C@H]1CCC[C@H](O)C1 ZINC000043600199 411123455 /nfs/dbraw/zinc/12/34/55/411123455.db2.gz NECZOFFYHZKPOB-IUCAKERBSA-N 1 0 200.282 0.016 10 0 BCAERO C[NH2+]CCC(=O)NCC[C@H]1CCCO1 ZINC000043605497 411123674 /nfs/dbraw/zinc/12/36/74/411123674.db2.gz WHIYIAGOZARRLX-SECBINFHSA-N 1 0 200.282 0.281 10 0 BCAERO CCC[C@@H]1C[C@H]1[NH2+]C[C@H](O)CN1CCOCC1 ZINC000300577204 411123836 /nfs/dbraw/zinc/12/38/36/411123836.db2.gz DRBWETBCHHSXFK-FRRDWIJNSA-N 1 0 242.363 0.458 10 0 BCAERO CNC(=O)CCC[N@@H+]1C[C@@H](C)C[C@H](O)C1 ZINC000401901474 411171033 /nfs/dbraw/zinc/17/10/33/411171033.db2.gz MOWJIBHMIBPWLM-UWVGGRQHSA-N 1 0 214.309 0.215 10 0 BCAERO CC[N@H+](C)C[C@H](O)CN1C[C@H](C)C[C@@H](O)C1 ZINC000401969622 411183975 /nfs/dbraw/zinc/18/39/75/411183975.db2.gz YEOCPPIBCNYRGN-UTUOFQBUSA-N 1 0 230.352 0.002 10 0 BCAERO CC[C@H]1COCCN1C(=O)C[C@@H]([NH3+])C(C)C ZINC000128942402 411193213 /nfs/dbraw/zinc/19/32/13/411193213.db2.gz HUEJJSUXEDQHSA-WDEREUQCSA-N 1 0 228.336 0.997 10 0 BCAERO COc1ncccc1C(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000061883787 411194587 /nfs/dbraw/zinc/19/45/87/411194587.db2.gz HBCIKUHSLNGQOH-MWLCHTKSSA-N 1 0 249.314 0.947 10 0 BCAERO CC(C)(C)CCNC(=O)Cn1cc(C[NH3+])nn1 ZINC000124012686 411194899 /nfs/dbraw/zinc/19/48/99/411194899.db2.gz GUYFDVBRBAIXLJ-UHFFFAOYSA-N 1 0 239.323 0.289 10 0 BCAERO CO[C@@H](C(=O)N1CCC[C@H]([NH3+])C1)C1CCC1 ZINC000659249499 411195302 /nfs/dbraw/zinc/19/53/02/411195302.db2.gz TUFZORGNWKLXOD-WDEREUQCSA-N 1 0 226.320 0.751 10 0 BCAERO CC(C)n1ccnc(O[C@H]2CC[NH2+]C2)c1=O ZINC000061771591 167770141 /nfs/dbraw/zinc/77/01/41/167770141.db2.gz ACUBFKPEGDSBTG-VIFPVBQESA-N 1 0 223.276 0.565 10 0 BCAERO CC(C)[C@@H]([NH3+])CC(=O)N1CCCO[C@H](C)C1 ZINC000129049251 411216664 /nfs/dbraw/zinc/21/66/64/411216664.db2.gz WWSGKLAJIQEAMX-MNOVXSKESA-N 1 0 228.336 0.997 10 0 BCAERO CCn1cc([C@H](C)[NH2+][C@@H]2CCNC2=O)cn1 ZINC000658053737 411221021 /nfs/dbraw/zinc/22/10/21/411221021.db2.gz MUVSOPAQPSORKS-WCBMZHEXSA-N 1 0 222.292 0.442 10 0 BCAERO CC(C)[C@@H]([NH3+])CC(=O)NCC[C@H](C)O ZINC000129099445 411224705 /nfs/dbraw/zinc/22/47/05/411224705.db2.gz RHAJJTWQOMNFLK-IUCAKERBSA-N 1 0 202.298 0.247 10 0 BCAERO C[C@H]1[C@H]([NH3+])CCN1C(=O)CCc1cccnc1 ZINC000310237484 411229928 /nfs/dbraw/zinc/22/99/28/411229928.db2.gz BCNWPRJCQWHJAN-CMPLNLGQSA-N 1 0 233.315 0.962 10 0 BCAERO CCc1cc(NC(=O)[C@@H]2CC[NH2+]C2)n[nH]1 ZINC000129109515 411229953 /nfs/dbraw/zinc/22/99/53/411229953.db2.gz PXYUBYSNTBFFNF-SSDOTTSWSA-N 1 0 208.265 0.520 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)Nc1ncnn1C ZINC000129152733 411232908 /nfs/dbraw/zinc/23/29/08/411232908.db2.gz RDSSSPZZONPKSW-SSDOTTSWSA-N 1 0 211.269 0.127 10 0 BCAERO CCn1nc(C)cc1C(=O)N1CC[C@@H]([NH3+])[C@H]1C ZINC000310291575 411233040 /nfs/dbraw/zinc/23/30/40/411233040.db2.gz NUPOEXOFWXUWPJ-NXEZZACHSA-N 1 0 236.319 0.773 10 0 BCAERO COCC1(C[N@@H+]2C[C@@H](OC)C[C@H]2CO)CCC1 ZINC000310411009 411236716 /nfs/dbraw/zinc/23/67/16/411236716.db2.gz MJQKOXGPDXQCOP-RYUDHWBXSA-N 1 0 243.347 0.885 10 0 BCAERO C[C@H](O)[C@H]1CCC[N@@H+]([C@@H]2CCC[C@H]2O)C1 ZINC000660116692 411237391 /nfs/dbraw/zinc/23/73/91/411237391.db2.gz JRNFNHKVQHIRQJ-NNYUYHANSA-N 1 0 213.321 0.993 10 0 BCAERO C[C@@H](NC(=O)CC[C@H]1CCC[NH2+]1)c1nc[nH]n1 ZINC000310577385 411242170 /nfs/dbraw/zinc/24/21/70/411242170.db2.gz QAAVQTROSMGGQQ-RKDXNWHRSA-N 1 0 237.307 0.514 10 0 BCAERO CCN(CC[NH3+])c1nnnn1-c1ccccc1 ZINC000111374681 411167232 /nfs/dbraw/zinc/16/72/32/411167232.db2.gz ZQPSKHHSKAVFHF-UHFFFAOYSA-N 1 0 232.291 0.447 10 0 BCAERO CC1(C)[C@H]([NH2+]C/C=C\CO)[C@@H]2CCO[C@H]21 ZINC000658137762 411262077 /nfs/dbraw/zinc/26/20/77/411262077.db2.gz JIFOGFPUQVJVNN-PXLFNHBNSA-N 1 0 211.305 0.938 10 0 BCAERO CC(C)(O)C[NH2+]CCO[C@@H]1CC1(F)F ZINC000656683693 411327134 /nfs/dbraw/zinc/32/71/34/411327134.db2.gz OQODVWRLGCFOQH-SSDOTTSWSA-N 1 0 209.236 0.771 10 0 BCAERO CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(N)nc2)C1 ZINC000050708139 411264986 /nfs/dbraw/zinc/26/49/86/411264986.db2.gz CRGUYJLPJPKLNG-LLVKDONJSA-N 1 0 248.330 0.878 10 0 BCAERO [NH3+]CCCOCCNc1ccc(F)cn1 ZINC000630534580 411266145 /nfs/dbraw/zinc/26/61/45/411266145.db2.gz NFPNSVNMXXUQMJ-UHFFFAOYSA-N 1 0 213.256 0.998 10 0 BCAERO COC[C@H](C)NC(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000069792130 411266614 /nfs/dbraw/zinc/26/66/14/411266614.db2.gz JYYSWWPQMOCVRT-VHSXEESVSA-N 1 0 226.320 0.527 10 0 BCAERO C[C@H]1SCC[C@H]1NC(=O)C1([NH3+])CCOCC1 ZINC000309837924 411267780 /nfs/dbraw/zinc/26/77/80/411267780.db2.gz MVLPETQPXHPYCM-RKDXNWHRSA-N 1 0 244.360 0.505 10 0 BCAERO Nc1ccc([C@@H]2COCCN(CC[NH3+])C2)cn1 ZINC000616662821 411287221 /nfs/dbraw/zinc/28/72/21/411287221.db2.gz FZHVLPLLPVLYEK-NSHDSACASA-N 1 0 236.319 0.038 10 0 BCAERO Nc1ccc([C@H]2CN(CC[NH3+])CCCO2)cn1 ZINC000616654990 411287240 /nfs/dbraw/zinc/28/72/40/411287240.db2.gz PZZJEYJOBNXKFE-LLVKDONJSA-N 1 0 236.319 0.386 10 0 BCAERO Nc1ccc([C@@H]2CN(CC[NH3+])CCCO2)cn1 ZINC000616680235 411287368 /nfs/dbraw/zinc/28/73/68/411287368.db2.gz PZZJEYJOBNXKFE-NSHDSACASA-N 1 0 236.319 0.386 10 0 BCAERO CC(C)OC[C@H](O)C[NH2+][C@@H]1CCCC[C@@H]1O ZINC000052014431 411288452 /nfs/dbraw/zinc/28/84/52/411288452.db2.gz DRWQTNOBUHUWNJ-UTUOFQBUSA-N 1 0 231.336 0.665 10 0 BCAERO CCc1cc(C(=O)N2CC[C@@H]([NH3+])[C@@H]2C)n(C)n1 ZINC000383515572 411292119 /nfs/dbraw/zinc/29/21/19/411292119.db2.gz MGFBUKMTKYSKGH-WCBMZHEXSA-N 1 0 236.319 0.544 10 0 BCAERO C[C@@H]1C[C@H](NC(=O)[C@@H]2C[NH2+]C[C@H]2C)[C@H](C)O1 ZINC000384530354 411295237 /nfs/dbraw/zinc/29/52/37/411295237.db2.gz CNIUTTMBNXLKIZ-NZFPMDFQSA-N 1 0 226.320 0.524 10 0 BCAERO N#Cc1ccc(NCC2([NH3+])CCCCC2)nn1 ZINC000396988460 411306421 /nfs/dbraw/zinc/30/64/21/411306421.db2.gz XDBIQZUNSPHGIO-UHFFFAOYSA-N 1 0 231.303 1.422 10 0 BCAERO Cc1noc(CN(C)C(=O)[C@@]2(C)CCC[NH2+]2)n1 ZINC000655527262 411306998 /nfs/dbraw/zinc/30/69/98/411306998.db2.gz MJLGZSWMBSMKNL-LLVKDONJSA-N 1 0 238.291 0.479 10 0 BCAERO CN1C[C@@H](C[NH2+]C2CCC(O)CC2)CC1=O ZINC000658238316 411307035 /nfs/dbraw/zinc/30/70/35/411307035.db2.gz GKXRHOOAKSFZPS-KPPDAEKUSA-N 1 0 226.320 0.358 10 0 BCAERO Cc1nnc2c(N(C)CC(C)(C)[NH3+])nccn12 ZINC000656608748 411307568 /nfs/dbraw/zinc/30/75/68/411307568.db2.gz LQNNYKPDQCGNCY-UHFFFAOYSA-N 1 0 234.307 0.606 10 0 BCAERO [NH3+]CC12CC(C1)CN2c1nccn2cnnc12 ZINC000656610761 411308865 /nfs/dbraw/zinc/30/88/65/411308865.db2.gz IGLWLVNXHHFTNP-UHFFFAOYSA-N 1 0 230.275 0.052 10 0 BCAERO COC[C@@H]([NH2+]C[C@H]1CC(=O)N(C)C1)C1CC1 ZINC000658242630 411309053 /nfs/dbraw/zinc/30/90/53/411309053.db2.gz JXXUYYLYVMYRGX-MWLCHTKSSA-N 1 0 226.320 0.479 10 0 BCAERO CCN(CC)C(=O)[C@H](C)n1cc(C[NH3+])nn1 ZINC000050224687 411254025 /nfs/dbraw/zinc/25/40/25/411254025.db2.gz DDEWEBLAASOZGL-QMMMGPOBSA-N 1 0 225.296 0.166 10 0 BCAERO COC[C@H](C)NC(=O)C[C@H]([NH3+])C(C)C ZINC000128859320 411254415 /nfs/dbraw/zinc/25/44/15/411254415.db2.gz HXVZTZYJXPCMLN-IUCAKERBSA-N 1 0 202.298 0.511 10 0 BCAERO [NH3+]Cc1cn(CCO[C@H]2CCCCO2)nn1 ZINC000050224466 411254466 /nfs/dbraw/zinc/25/44/66/411254466.db2.gz JOJJDQPJVMSSLR-JTQLQIEISA-N 1 0 226.280 0.280 10 0 BCAERO CC(C)(C)c1noc(Cn2cc(C[NH3+])nn2)n1 ZINC000050224956 411254840 /nfs/dbraw/zinc/25/48/40/411254840.db2.gz BWHPCLQLDATIDG-UHFFFAOYSA-N 1 0 236.279 0.466 10 0 BCAERO [NH3+]CC1(CCNc2ncnc3nc[nH]c32)CC1 ZINC000395940223 411258751 /nfs/dbraw/zinc/25/87/51/411258751.db2.gz JGRRUAOROVQMTM-UHFFFAOYSA-N 1 0 232.291 0.845 10 0 BCAERO O=C(NCCO[C@H]1CC1(F)F)[C@H]1CCC[NH2+]C1 ZINC000659345582 411372737 /nfs/dbraw/zinc/37/27/37/411372737.db2.gz KSBKGLFHKABLKC-IUCAKERBSA-N 1 0 248.273 0.526 10 0 BCAERO CNC(=O)C(C)(C)C[NH2+]C[C@H](O)C(C)(C)C ZINC000304238029 411355257 /nfs/dbraw/zinc/35/52/57/411355257.db2.gz MYENBWCXMXVARV-VIFPVBQESA-N 1 0 230.352 0.755 10 0 BCAERO COC[C@@H](C[N@@H+]1CCC[C@H]1CCCO)OC ZINC000659871021 411355829 /nfs/dbraw/zinc/35/58/29/411355829.db2.gz LDXJOXWJJTWYKQ-NWDGAFQWSA-N 1 0 231.336 0.885 10 0 BCAERO COC[C@H](C[N@@H+]1CCC[C@H]1CCCO)OC ZINC000659871022 411356116 /nfs/dbraw/zinc/35/61/16/411356116.db2.gz LDXJOXWJJTWYKQ-RYUDHWBXSA-N 1 0 231.336 0.885 10 0 BCAERO C[C@@H](CNC(=O)C1(C[NH3+])CCOCC1)C1CC1 ZINC000125329948 411362024 /nfs/dbraw/zinc/36/20/24/411362024.db2.gz YCUYKKJKVLIZBM-JTQLQIEISA-N 1 0 240.347 0.904 10 0 BCAERO CC1(C)COCCN1C[C@H]1C[NH2+]CCO1 ZINC000043802652 167971479 /nfs/dbraw/zinc/97/14/79/167971479.db2.gz OCHYCHNIESUNNE-SNVBAGLBSA-N 1 0 214.309 0.086 10 0 BCAERO C[NH2+][C@H](C)C(=O)N(C)C1(COC)CC1 ZINC000659339279 411366742 /nfs/dbraw/zinc/36/67/42/411366742.db2.gz WKWNQFCVZNYVBT-MRVPVSSYSA-N 1 0 200.282 0.232 10 0 BCAERO [NH3+]Cc1cccc(NC(=O)N[C@@H]2CCNC2=O)c1 ZINC000659018169 411367027 /nfs/dbraw/zinc/36/70/27/411367027.db2.gz LYZMRTCRUVAIHR-SNVBAGLBSA-N 1 0 248.286 0.155 10 0 BCAERO C[NH+](C)[C@@H]1CCN(c2cc(CO)ccn2)C1 ZINC000062967466 411334368 /nfs/dbraw/zinc/33/43/68/411334368.db2.gz UELPUMNPTQPEJI-LLVKDONJSA-N 1 0 221.304 0.714 10 0 BCAERO C[NH2+][C@H](C)C(=O)N1C[C@H](C)S[C@@H](C)C1 ZINC000069909676 411344010 /nfs/dbraw/zinc/34/40/10/411344010.db2.gz GNXMAYUTRLAUKK-XHNCKOQMSA-N 1 0 216.350 0.947 10 0 BCAERO CC1(CNC(=O)C2([NH3+])CCOCC2)CCC1 ZINC000229217180 168028851 /nfs/dbraw/zinc/02/88/51/168028851.db2.gz AUNHEBXZKHXYMM-UHFFFAOYSA-N 1 0 226.320 0.801 10 0 BCAERO OC1(C[N@@H+]2CC[C@H]3COC[C@H]3C2)CCC1 ZINC000662031251 411348389 /nfs/dbraw/zinc/34/83/89/411348389.db2.gz RDOOBGLRTDXKQA-WDEREUQCSA-N 1 0 211.305 0.870 10 0 BCAERO CC1([NH+]2CCC(C(=O)[O-])CC2)CC[NH2+]CC1 ZINC000022013453 168055276 /nfs/dbraw/zinc/05/52/76/168055276.db2.gz BICTUIHCWMEHNU-UHFFFAOYSA-N 1 0 226.320 0.925 10 0 BCAERO O[C@@H]1CCC[C@H]1[N@@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000662031264 411348747 /nfs/dbraw/zinc/34/87/47/411348747.db2.gz RIEDSGLJKZPXID-DDHJBXDOSA-N 1 0 211.305 0.868 10 0 BCAERO O[C@@H]1CCC[C@H]1[N@@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000662031267 411349188 /nfs/dbraw/zinc/34/91/88/411349188.db2.gz RIEDSGLJKZPXID-WRWGMCAJSA-N 1 0 211.305 0.868 10 0 BCAERO CC1CC(=O)N(C[C@@H]2CCCC[NH2+]2)C(=O)C1 ZINC000061828857 168138576 /nfs/dbraw/zinc/13/85/76/168138576.db2.gz AKBKWILDJBHFOR-JTQLQIEISA-N 1 0 224.304 0.914 10 0 BCAERO CCCC(=O)N1CC[C@H]2OCC[NH2+][C@H]2C1 ZINC000404073367 411374355 /nfs/dbraw/zinc/37/43/55/411374355.db2.gz PTOYQCQTRAVNEC-VHSXEESVSA-N 1 0 212.293 0.376 10 0 BCAERO CC1[C@H](C)N2O[C@@](C)(O)C[C@@]2(C)[N+]1=O ZINC000005211694 168138991 /nfs/dbraw/zinc/13/89/91/168138991.db2.gz GYFXRRINFDTQRS-XHNCKOQMSA-N 1 0 200.238 0.422 10 0 BCAERO CC1[C@@H](C)N2O[C@@](C)(O)C[C@@]2(C)[N+]1=O ZINC000005211379 168139526 /nfs/dbraw/zinc/13/95/26/168139526.db2.gz GYFXRRINFDTQRS-HRDYMLBCSA-N 1 0 200.238 0.422 10 0 BCAERO CC1CCC(CO)([NH2+]CC(=O)N(C)C)CC1 ZINC000053119004 168157004 /nfs/dbraw/zinc/15/70/04/168157004.db2.gz XAKXBDDOTQEWNP-UHFFFAOYSA-N 1 0 228.336 0.605 10 0 BCAERO CC1CCC(NC(=O)[C@H]2C[NH2+][C@@H](C)CN2)CC1 ZINC000062814235 168162546 /nfs/dbraw/zinc/16/25/46/168162546.db2.gz NBHANDZXUHHERS-POSLAHMBSA-N 1 0 239.363 0.631 10 0 BCAERO CC=C(N1CCOCC1)N1CCOCC1 ZINC000039201133 168191344 /nfs/dbraw/zinc/19/13/44/168191344.db2.gz IQVGLDYMYGTIRS-UHFFFAOYSA-N 1 0 212.293 0.512 10 0 BCAERO Cc1cc(N2CC[C@@H]3C[NH2+]C[C@@H]32)nc(C)n1 ZINC000216291611 411390628 /nfs/dbraw/zinc/39/06/28/411390628.db2.gz DRLOABOXSCKXOI-MNOVXSKESA-N 1 0 218.304 0.892 10 0 BCAERO c1nc(CN2CC[C@@H]3OCC[NH2+][C@@H]3C2)cs1 ZINC000404204292 411382677 /nfs/dbraw/zinc/38/26/77/411382677.db2.gz RNMCNAKUJNDYAE-MNOVXSKESA-N 1 0 239.344 0.706 10 0 BCAERO c1nc(CN2CC[C@@H]3OCC[NH2+][C@H]3C2)cs1 ZINC000404204294 411382704 /nfs/dbraw/zinc/38/27/04/411382704.db2.gz RNMCNAKUJNDYAE-QWRGUYRKSA-N 1 0 239.344 0.706 10 0 BCAERO CCC(C)(C)NC(=O)C[NH2+][C@H]1CCC(=O)NC1 ZINC000104344744 168290669 /nfs/dbraw/zinc/29/06/69/168290669.db2.gz JOJXWAMBJUKEGI-VIFPVBQESA-N 1 0 241.335 0.159 10 0 BCAERO CCC(C)(C)NC(=O)[C@@H](C)[NH2+][C@H]1CCN(C)C1 ZINC000042547201 168294422 /nfs/dbraw/zinc/29/44/22/168294422.db2.gz SQWDDPUXJVLCSJ-MNOVXSKESA-N 1 0 241.379 0.973 10 0 BCAERO CCC(C)(C)NC(=O)[C@H](C)[NH2+][C@H](C)C(=O)NC ZINC000042563036 168295057 /nfs/dbraw/zinc/29/50/57/168295057.db2.gz YMBSHZDCJSSETB-BDAKNGLRSA-N 1 0 243.351 0.404 10 0 BCAERO CCC(C)(C)NC(=O)[C@H](C)[NH2+][C@@H]1CCN(C)C1 ZINC000042547198 168295243 /nfs/dbraw/zinc/29/52/43/168295243.db2.gz SQWDDPUXJVLCSJ-WDEREUQCSA-N 1 0 241.379 0.973 10 0 BCAERO CCC(C)(C)NC(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000020433753 168296897 /nfs/dbraw/zinc/29/68/97/168296897.db2.gz IVJBUFGACWZJHO-JGVFFNPUSA-N 1 0 200.282 0.014 10 0 BCAERO CC(C)([NH3+])CCC(=O)N[C@H]1CCC[C@H](O)C1 ZINC000069633748 411458305 /nfs/dbraw/zinc/45/83/05/411458305.db2.gz OGHJSZXBMVPGBD-UWVGGRQHSA-N 1 0 228.336 0.924 10 0 BCAERO COCC1(N(C)C(=O)[C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000659338983 411398743 /nfs/dbraw/zinc/39/87/43/411398743.db2.gz SSSKIWFLAMPMML-GHMZBOCLSA-N 1 0 240.347 0.999 10 0 BCAERO CO[C@@H](C)CNC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000659344670 411400574 /nfs/dbraw/zinc/40/05/74/411400574.db2.gz CAUVATWHMSVIPD-CIUDSAMLSA-N 1 0 200.282 0.265 10 0 BCAERO CO[C@@H](C)CNC(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000659345315 411400975 /nfs/dbraw/zinc/40/09/75/411400975.db2.gz HQBOPINPMCNZLZ-AEJSXWLSSA-N 1 0 214.309 0.655 10 0 BCAERO [NH3+][C@@H]1CC[C@@H](C(=O)NCCO[C@@H]2CC2(F)F)C1 ZINC000659345400 411401118 /nfs/dbraw/zinc/40/11/18/411401118.db2.gz KLFAREPWASEUBK-IWSPIJDZSA-N 1 0 248.273 0.654 10 0 BCAERO C[C@@H]1CCN(C(=O)[C@@H]2CC[NH2+]C2)C[C@H](C)O1 ZINC000659374616 411405627 /nfs/dbraw/zinc/40/56/27/411405627.db2.gz PXVHIMMAGRPDRC-OUAUKWLOSA-N 1 0 226.320 0.622 10 0 BCAERO COC[C@@]1(C(=O)NCC2=CCCC2)CCC[NH2+]1 ZINC000659379650 411406464 /nfs/dbraw/zinc/40/64/64/411406464.db2.gz KYDOCSLCZQPVIC-CYBMUJFWSA-N 1 0 238.331 0.982 10 0 BCAERO C[NH2+]Cc1ccccc1CNC(=O)c1nnc[nH]1 ZINC000404757521 411406962 /nfs/dbraw/zinc/40/69/62/411406962.db2.gz LXPGSTNNPUBZRU-UHFFFAOYSA-N 1 0 245.286 0.454 10 0 BCAERO C[C@]1(CNC(=O)C[C@H]2CCC[NH2+]C2)CCOC1 ZINC000397224062 411410472 /nfs/dbraw/zinc/41/04/72/411410472.db2.gz MCMMUDPPIIPGGF-DGCLKSJQSA-N 1 0 240.347 0.919 10 0 BCAERO C[C@H]1C[C@H]1NC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653073262 411413129 /nfs/dbraw/zinc/41/31/29/411413129.db2.gz XKAAUQKDVNMWGO-LXGUWJNJSA-N 1 0 236.237 0.909 10 0 BCAERO C[C@H]1C[C@@H]1NC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653073263 411413139 /nfs/dbraw/zinc/41/31/39/411413139.db2.gz XKAAUQKDVNMWGO-OSMVPFSASA-N 1 0 236.237 0.909 10 0 BCAERO CC[N@H+](C)C[C@H](O)CN1CC(n2cccn2)C1 ZINC000653553352 411420380 /nfs/dbraw/zinc/42/03/80/411420380.db2.gz MAFMYJYRWKWVCX-LBPRGKRZSA-N 1 0 238.335 0.052 10 0 BCAERO CC(C)[C@@H]([NH3+])CC(=O)N[C@@H](C)c1cnn(C)c1 ZINC000305877115 411427171 /nfs/dbraw/zinc/42/71/71/411427171.db2.gz IBJYANVISUZGTE-ONGXEEELSA-N 1 0 238.335 0.971 10 0 BCAERO CCNC(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000659821155 411463271 /nfs/dbraw/zinc/46/32/71/411463271.db2.gz DREWHDRODBSWGV-GHMZBOCLSA-N 1 0 241.335 0.247 10 0 BCAERO [NH3+]Cc1cn(Cc2nc(C3CCCC3)no2)nn1 ZINC000122936936 411436542 /nfs/dbraw/zinc/43/65/42/411436542.db2.gz PPAUEHNHKJIKBC-UHFFFAOYSA-N 1 0 248.290 0.826 10 0 BCAERO C[C@H](NC(=O)[C@]1(C)CCC[NH2+]1)[C@H]1CCCO1 ZINC000070618755 411440624 /nfs/dbraw/zinc/44/06/24/411440624.db2.gz UXFUBGLVCSIOTJ-UMNHJUIQSA-N 1 0 226.320 0.812 10 0 BCAERO COC1CCN(C(=O)C[C@@H]([NH3+])C(C)C)CC1 ZINC000128906332 411442055 /nfs/dbraw/zinc/44/20/55/411442055.db2.gz NHCIWXPVULZVAU-LLVKDONJSA-N 1 0 228.336 0.997 10 0 BCAERO [NH3+][C@@H]1CC=C(C(=O)N[C@H]2CCC[C@@H](O)C2)C1 ZINC000637929388 411446423 /nfs/dbraw/zinc/44/64/23/411446423.db2.gz YIOQMSVMGSFOGC-OUAUKWLOSA-N 1 0 224.304 0.454 10 0 BCAERO [NH3+]C1CCC(C(=O)N[C@@H]2CCCOC2)CC1 ZINC000071023629 411449711 /nfs/dbraw/zinc/44/97/11/411449711.db2.gz VIDUTVSVBZIZRI-VQXHTEKXSA-N 1 0 226.320 0.799 10 0 BCAERO CC(C)[NH2+]CC(=O)N[C@@H]1CCCOC1 ZINC000071023778 411450410 /nfs/dbraw/zinc/45/04/10/411450410.db2.gz LQQBWVGXKGHWOO-SECBINFHSA-N 1 0 200.282 0.280 10 0 BCAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)N(C)Cc1nc[nH]n1 ZINC000070819144 411533144 /nfs/dbraw/zinc/53/31/44/411533144.db2.gz DNJYONGLWFUJIZ-VXNVDRBHSA-N 1 0 225.296 0.137 10 0 BCAERO O=C(N[C@@H]1CCCOC1)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000407371148 411482263 /nfs/dbraw/zinc/48/22/63/411482263.db2.gz URJAFASOLYQVSC-WOPDTQHZSA-N 1 0 238.331 0.812 10 0 BCAERO Cc1ncc(C[NH2+]C[C@H]2CCC[C@H]2O)n1C ZINC000657377754 411487327 /nfs/dbraw/zinc/48/73/27/411487327.db2.gz GANGJFJGUCEEDK-ZYHUDNBSSA-N 1 0 223.320 0.979 10 0 BCAERO CCOC(=O)[C@@H]1C[NH2+]C[C@@]12CCO[C@@H]2C ZINC000229217681 411497347 /nfs/dbraw/zinc/49/73/47/411497347.db2.gz XEKMINNZPMEXOO-WCABBAIRSA-N 1 0 213.277 0.564 10 0 BCAERO COC[C@@H](C)[NH2+]CC(=O)Nc1cc(C)no1 ZINC000309471443 411497874 /nfs/dbraw/zinc/49/78/74/411497874.db2.gz QUQVGDXZTZYOJS-MRVPVSSYSA-N 1 0 227.264 0.546 10 0 BCAERO Cc1ncc(C[NH2+][C@@H]2CCO[C@H]2C)n1C ZINC000657422270 411503305 /nfs/dbraw/zinc/50/33/05/411503305.db2.gz VJIMIAPVLSQSER-GZMMTYOYSA-N 1 0 209.293 0.996 10 0 BCAERO C[C@H](N[C@H]1C[N@H+](C)C[C@H]1C)c1nncn1C ZINC000336750750 411510475 /nfs/dbraw/zinc/51/04/75/411510475.db2.gz UWTKQBQWGSMAPI-UTLUCORTSA-N 1 0 223.324 0.416 10 0 BCAERO Cc1nc(C)c(CNC(=O)[C@H]2CCC[NH2+]C2)o1 ZINC000311743215 411512716 /nfs/dbraw/zinc/51/27/16/411512716.db2.gz BNISDSJREXDYGK-JTQLQIEISA-N 1 0 237.303 0.907 10 0 BCAERO CC[C@@H]1C[C@H]([NH2+][C@H]2CCC(=O)N[C@@H]2C)CO1 ZINC000657457763 411521215 /nfs/dbraw/zinc/52/12/15/411521215.db2.gz CMQUNAZTGMEJJU-YTWAJWBKSA-N 1 0 226.320 0.811 10 0 BCAERO CCN1CC[C@@H](C[NH2+]C2CCS(=O)CC2)C1 ZINC000042353639 170008277 /nfs/dbraw/zinc/00/82/77/170008277.db2.gz YDYWSAKNNOSYBJ-FZWSLVFFSA-N 1 0 244.404 0.829 10 0 BCAERO CCN1CC[C@@H]([NH2+]Cc2cnn(C)c2C)C1 ZINC000328190824 170011057 /nfs/dbraw/zinc/01/10/57/170011057.db2.gz PJULMCDDTNQMOS-GFCCVEGCSA-N 1 0 222.336 0.912 10 0 BCAERO CC[N@@H+]1CC[C@@H](NC(=O)NC2CCC2)C1 ZINC000334577719 170012529 /nfs/dbraw/zinc/01/25/29/170012529.db2.gz GBJKASHXDACQQB-SNVBAGLBSA-N 1 0 211.309 0.932 10 0 BCAERO CCN(C)C(=O)NC[C@H]1CC[N@H+](CC)C1 ZINC000121968890 170014945 /nfs/dbraw/zinc/01/49/45/170014945.db2.gz KXTOTRYOPOFZTC-SNVBAGLBSA-N 1 0 213.325 0.990 10 0 BCAERO CC[N@@H+]1CC[C@H](CN[C@@H]2CC[NH+](C)C2)C1 ZINC000061988908 170016537 /nfs/dbraw/zinc/01/65/37/170016537.db2.gz UNFJEPZWVVSKHQ-VXGBXAGGSA-N 1 0 211.353 0.622 10 0 BCAERO CC[N@@H+]1CC[C@H](NC(=O)N2CCCC2)C1 ZINC000334577732 170017879 /nfs/dbraw/zinc/01/78/79/170017879.db2.gz GQIZIGDPLHIVCK-JTQLQIEISA-N 1 0 211.309 0.886 10 0 BCAERO CC[N@@H+]1CC[C@H](NC(=O)NC2CCC2)C1 ZINC000334577718 170019889 /nfs/dbraw/zinc/01/98/89/170019889.db2.gz GBJKASHXDACQQB-JTQLQIEISA-N 1 0 211.309 0.932 10 0 BCAERO CCN1C[C@@H](C)[C@H]([NH2+]Cc2cnn(C)c2)C1 ZINC000309638364 170031391 /nfs/dbraw/zinc/03/13/91/170031391.db2.gz KCHSGEBQYKNVAH-ZYHUDNBSSA-N 1 0 222.336 0.850 10 0 BCAERO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCNC2=O)CS1 ZINC000657521653 411540519 /nfs/dbraw/zinc/54/05/19/411540519.db2.gz BNKGKBUBGAUUHR-HRDYMLBCSA-N 1 0 214.334 0.749 10 0 BCAERO CCN1C[C@H]([NH2+]Cc2cnn(C)c2)[C@@H](C)C1 ZINC000309638361 170037392 /nfs/dbraw/zinc/03/73/92/170037392.db2.gz KCHSGEBQYKNVAH-JQWIXIFHSA-N 1 0 222.336 0.850 10 0 BCAERO CCNC(=O)CCCC(=O)N1CCC[C@H]1C[NH3+] ZINC000236875406 170048493 /nfs/dbraw/zinc/04/84/93/170048493.db2.gz ODNDWZZEBHWSOF-JTQLQIEISA-N 1 0 241.335 0.243 10 0 BCAERO CCNC(=O)CN(CC)C(=O)C[NH2+][C@@H](C)CC ZINC000037495127 170056571 /nfs/dbraw/zinc/05/65/71/170056571.db2.gz QVKXFEYPMXDBKF-JTQLQIEISA-N 1 0 243.351 0.359 10 0 BCAERO CCNC(=O)CN1[C@@H]2CC[C@H]1CC([NH2+]CC)C2 ZINC000054628210 170061241 /nfs/dbraw/zinc/06/12/41/170061241.db2.gz LLXLJNNIVANBSO-YOGCLGLASA-N 1 0 239.363 0.727 10 0 BCAERO CCNC(=O)C[NH2+][C@@H]1CCCCC[C@@H]1O ZINC000037892079 170066003 /nfs/dbraw/zinc/06/60/03/170066003.db2.gz OZAKJQHQJUBMQX-ZJUUUORDSA-N 1 0 214.309 0.406 10 0 BCAERO CCNC(=O)C[NH2+][C@H]1CCCCC[C@H]1O ZINC000037892082 170066095 /nfs/dbraw/zinc/06/60/95/170066095.db2.gz OZAKJQHQJUBMQX-VHSXEESVSA-N 1 0 214.309 0.406 10 0 BCAERO CCNC(=O)COc1c(C[NH3+])cccc1OC ZINC000035413033 170067753 /nfs/dbraw/zinc/06/77/53/170067753.db2.gz BKARMEHNXNNBRE-UHFFFAOYSA-N 1 0 238.287 0.669 10 0 BCAERO CCNC(=O)Cn1ccc2c1CCC[C@@H]2[NH3+] ZINC000041731150 170071246 /nfs/dbraw/zinc/07/12/46/170071246.db2.gz BQTSIMUCPHKJSN-JTQLQIEISA-N 1 0 221.304 0.960 10 0 BCAERO CCNC(=O)Nc1nc2c(s1)C[NH2+]CC2 ZINC000036233210 170084972 /nfs/dbraw/zinc/08/49/72/170084972.db2.gz ATJIFIQQLMVBCK-UHFFFAOYSA-N 1 0 226.305 0.930 10 0 BCAERO CCNC(=O)[C@@H](C)[NH2+]Cc1cnn(C)c1C ZINC000086551948 170088480 /nfs/dbraw/zinc/08/84/80/170088480.db2.gz XWBOMMCYTXKCOX-MRVPVSSYSA-N 1 0 224.308 0.343 10 0 BCAERO CCNC(=O)[C@@H](C[NH3+])Cc1ccccc1 ZINC000044795962 170090004 /nfs/dbraw/zinc/09/00/04/170090004.db2.gz MXULZIUXHBEAGB-LLVKDONJSA-N 1 0 206.289 0.940 10 0 BCAERO CCNC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC000040457818 170090118 /nfs/dbraw/zinc/09/01/18/170090118.db2.gz PPQZHIVWDNKJPZ-JTQLQIEISA-N 1 0 208.261 0.398 10 0 BCAERO CC[N@@H+]1CC[C@@H](NCc2nc(C)c[nH]2)C1 ZINC000657497021 411536341 /nfs/dbraw/zinc/53/63/41/411536341.db2.gz USRUPDNQCAXWKR-SNVBAGLBSA-N 1 0 208.309 0.902 10 0 BCAERO CCNC(=O)[C@H](C)N(C)c1cc[nH+]cc1N ZINC000042141439 170092665 /nfs/dbraw/zinc/09/26/65/170092665.db2.gz VKVAXUIRSWNGDF-QMMMGPOBSA-N 1 0 222.292 0.625 10 0 BCAERO CCNC(=O)[C@H](C)NC(=O)C1CCC([NH3+])CC1 ZINC000037626339 170092756 /nfs/dbraw/zinc/09/27/56/170092756.db2.gz RPFCNGXVANSHSZ-IDKOKCKLSA-N 1 0 241.335 0.145 10 0 BCAERO CCNC(=O)[C@H](C)[N@H+](C)CCCC(=O)OC ZINC000050065190 170092848 /nfs/dbraw/zinc/09/28/48/170092848.db2.gz OHQMZBLQFVWWHX-VIFPVBQESA-N 1 0 230.308 0.396 10 0 BCAERO CCNC(=O)[C@H](C)[NH2+]CCC(=O)N[C@H](C)CC ZINC000038014649 170094807 /nfs/dbraw/zinc/09/48/07/170094807.db2.gz NZKBBOOJUHUGPT-ZJUUUORDSA-N 1 0 243.351 0.405 10 0 BCAERO CCNC(=O)[C@H](C)[NH2+]C[C@@H](O)COCC(C)C ZINC000049200892 170095201 /nfs/dbraw/zinc/09/52/01/170095201.db2.gz KMTIQNMNPOBHEM-WDEREUQCSA-N 1 0 246.351 0.134 10 0 BCAERO CCNC(=O)c1cc(NCC[C@H](C)[NH3+])ccn1 ZINC000063171595 170100962 /nfs/dbraw/zinc/10/09/62/170100962.db2.gz GBCCTNZXFWWANB-VIFPVBQESA-N 1 0 236.319 0.981 10 0 BCAERO CCNC(=O)c1cc(NC[C@@H]2CCC[NH2+]2)ccn1 ZINC000053255144 170101149 /nfs/dbraw/zinc/10/11/49/170101149.db2.gz XMUJTCDOAQIROV-NSHDSACASA-N 1 0 248.330 0.995 10 0 BCAERO CC[NH2+]C(C)(C)C(=O)N1CCOCC1 ZINC000061278446 170106490 /nfs/dbraw/zinc/10/64/90/170106490.db2.gz AVLJVPUXVCHORV-UHFFFAOYSA-N 1 0 200.282 0.233 10 0 BCAERO CC[NH2+]C(C)(C)C(=O)N1CCN(C)CC1 ZINC000061278476 170106571 /nfs/dbraw/zinc/10/65/71/170106571.db2.gz OANZDVXEPJMWBJ-UHFFFAOYSA-N 1 0 213.325 0.149 10 0 BCAERO CC[NH2+]C(C)(C)C(=O)N1CCCC[C@H]1C(N)=O ZINC000061294046 170106698 /nfs/dbraw/zinc/10/66/98/170106698.db2.gz SVGOQIAWEXTFQK-VIFPVBQESA-N 1 0 241.335 0.241 10 0 BCAERO CC[NH2+]C1(C(N)=O)Cc2ccccc2C1 ZINC000037869554 170108445 /nfs/dbraw/zinc/10/84/45/170108445.db2.gz SHIOAEGMXQZLSS-UHFFFAOYSA-N 1 0 204.273 0.619 10 0 BCAERO CC[NH2+]CC(=O)N[C@@H]1CCCC[C@@H]1O ZINC000052009383 170109151 /nfs/dbraw/zinc/10/91/51/170109151.db2.gz UFRYSEOUFMPQLG-BDAKNGLRSA-N 1 0 200.282 0.016 10 0 BCAERO CC[NH2+]CC(=O)Nc1cccc2c1CNC2=O ZINC000013588310 170109537 /nfs/dbraw/zinc/10/95/37/170109537.db2.gz ODMURGLRMIWXFH-UHFFFAOYSA-N 1 0 233.271 0.478 10 0 BCAERO CC[NH2+]CCC(=O)NCCC(=O)N1CCCC1 ZINC000061298464 170111844 /nfs/dbraw/zinc/11/18/44/170111844.db2.gz VDMNZOKKFBPOBG-UHFFFAOYSA-N 1 0 241.335 0.115 10 0 BCAERO CC[NH2+]CCC(=O)N(CC)[C@@H](C)COC ZINC000061295265 170111937 /nfs/dbraw/zinc/11/19/37/170111937.db2.gz UCILCUJFJSOOGY-JTQLQIEISA-N 1 0 216.325 0.869 10 0 BCAERO CC[NH2+]CCC(=O)Nc1ccc(C(=O)NC)cc1 ZINC000061290938 170112177 /nfs/dbraw/zinc/11/21/77/170112177.db2.gz NKJHDZPVKIMVDK-UHFFFAOYSA-N 1 0 249.314 0.984 10 0 BCAERO CC[NH2+]CCCNc1nccc(OC)n1 ZINC000038043496 170113085 /nfs/dbraw/zinc/11/30/85/170113085.db2.gz RWXBSOKHPXMWSR-UHFFFAOYSA-N 1 0 210.281 0.897 10 0 BCAERO CC[NH2+]CCN1C(=O)Cc2ccccc2C1=O ZINC000042410357 170113750 /nfs/dbraw/zinc/11/37/50/170113750.db2.gz OJSLAAWVEHUNIY-UHFFFAOYSA-N 1 0 232.283 0.821 10 0 BCAERO CC[NH2+]C[C@@H](C)C(=O)N1CCCO[C@@H](C)C1 ZINC000061920450 170117960 /nfs/dbraw/zinc/11/79/60/170117960.db2.gz NOYMRRVIMCZUQG-MNOVXSKESA-N 1 0 228.336 0.869 10 0 BCAERO CC[NH2+]C[C@@H](C)N1CCS(=O)CC1 ZINC000052516079 170119502 /nfs/dbraw/zinc/11/95/02/170119502.db2.gz GZMMZRITYHRQDB-SECBINFHSA-N 1 0 204.339 0.049 10 0 BCAERO CC[NH2+]C[C@H](C)C(=O)N1CCn2ccnc2C1 ZINC000062254866 170121829 /nfs/dbraw/zinc/12/18/29/170121829.db2.gz MDEUBRFZZZDAFK-JTQLQIEISA-N 1 0 236.319 0.471 10 0 BCAERO CC[NH2+]C[C@H](C)C(=O)N1CCOC[C@@H]1C ZINC000061229670 170121997 /nfs/dbraw/zinc/12/19/97/170121997.db2.gz UNRNMGGDPVQVBD-UWVGGRQHSA-N 1 0 214.309 0.479 10 0 BCAERO CC[NH2+]C[C@H]1CCCN1c1nccn1C ZINC000053696888 170122449 /nfs/dbraw/zinc/12/24/49/170122449.db2.gz NRGOCULOPWPDOT-SNVBAGLBSA-N 1 0 208.309 0.998 10 0 BCAERO CC[NH2+]Cc1nnnn1Cc1cccc(OC)c1 ZINC000054746895 170131970 /nfs/dbraw/zinc/13/19/70/170131970.db2.gz YXJNIDBMXPJFSP-UHFFFAOYSA-N 1 0 247.302 0.840 10 0 BCAERO CCNS(=O)(=O)C[C@H]1CCCC[NH2+]1 ZINC000049630560 170132535 /nfs/dbraw/zinc/13/25/35/170132535.db2.gz PUNGITIDFWCCDW-MRVPVSSYSA-N 1 0 206.311 0.068 10 0 BCAERO CC[NH2+][C@@H](C(N)=O)c1ccc(O)c(OC)c1 ZINC000037945552 170138252 /nfs/dbraw/zinc/13/82/52/170138252.db2.gz JKQSEVCHOSHLNU-SNVBAGLBSA-N 1 0 224.260 0.537 10 0 BCAERO CC[NH2+][C@@H](C)CC(=O)N1CCCOCC1 ZINC000061920459 170138901 /nfs/dbraw/zinc/13/89/01/170138901.db2.gz ZKXHVLBJPFIVKE-JTQLQIEISA-N 1 0 214.309 0.623 10 0 BCAERO CC[NH2+][C@@H](CC)[C@H]1CCS(=O)(=O)C1 ZINC000043300855 170143626 /nfs/dbraw/zinc/14/36/26/170143626.db2.gz CIRBBQWMGHIWPV-IUCAKERBSA-N 1 0 205.323 0.809 10 0 BCAERO CC[NH2+][C@@H]1CC(=O)N(C)[C@H]1c1ccnn1C ZINC000285113125 170149293 /nfs/dbraw/zinc/14/92/93/170149293.db2.gz MZBGSZNLZLPBPE-LDYMZIIASA-N 1 0 222.292 0.301 10 0 BCAERO CC[NH2+][C@@H]1CCN(C[C@@H]2CCCCO2)C1=O ZINC000042821703 170151981 /nfs/dbraw/zinc/15/19/81/170151981.db2.gz TUEXTTPJNHQJHN-WDEREUQCSA-N 1 0 226.320 0.766 10 0 BCAERO CC[NH2+][C@@H]1CCOC[C@H]1N1CCCOCC1 ZINC000061917892 170153017 /nfs/dbraw/zinc/15/30/17/170153017.db2.gz MQLIVUVPSGKWBU-VXGBXAGGSA-N 1 0 228.336 0.476 10 0 BCAERO CC[NH2+][C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000049648185 170153270 /nfs/dbraw/zinc/15/32/70/170153270.db2.gz RVFATVKQELCXPP-SECBINFHSA-N 1 0 208.265 0.135 10 0 BCAERO CC[NH2+][C@H](C(N)=O)c1ccc2c(c1)OCO2 ZINC000037447697 170155914 /nfs/dbraw/zinc/15/59/14/170155914.db2.gz GQXGUHVOHDSHBM-JTQLQIEISA-N 1 0 222.244 0.551 10 0 BCAERO CC[NH2+][C@H](C)CC(=O)N1CCCOCC1 ZINC000061920460 170156801 /nfs/dbraw/zinc/15/68/01/170156801.db2.gz ZKXHVLBJPFIVKE-SNVBAGLBSA-N 1 0 214.309 0.623 10 0 BCAERO CC[NH2+][C@H](C)CCCn1ccn(C)c(=O)c1=O ZINC000061796904 170156915 /nfs/dbraw/zinc/15/69/15/170156915.db2.gz NOPZSOFCKPIDLH-SNVBAGLBSA-N 1 0 239.319 0.325 10 0 BCAERO CC[NH2+][C@H](C)CC(=O)N1CCOC[C@@H]1C ZINC000061269680 170157067 /nfs/dbraw/zinc/15/70/67/170157067.db2.gz BTLQIQRBCMJZGJ-ZJUUUORDSA-N 1 0 214.309 0.622 10 0 BCAERO CC[NH2+][C@H](C)[C@@H]1CCCN(CC(=O)N(C)C)C1 ZINC000104417300 170158494 /nfs/dbraw/zinc/15/84/94/170158494.db2.gz ZTQZGJDIVDNJAI-VXGBXAGGSA-N 1 0 241.379 0.785 10 0 BCAERO CC[NH2+][C@H]1CCN(C2CCS(=O)(=O)CC2)C1 ZINC000036332131 170166821 /nfs/dbraw/zinc/16/68/21/170166821.db2.gz KHBVXPVKWDKLGF-JTQLQIEISA-N 1 0 246.376 0.247 10 0 BCAERO CCOC(=O)C1(N2CC[NH2+]CC2)CCCC1 ZINC000037964022 170190527 /nfs/dbraw/zinc/19/05/27/170190527.db2.gz VLHAXCHCZHKEAN-UHFFFAOYSA-N 1 0 226.320 0.768 10 0 BCAERO CCOC(=O)CC[NH2+]Cc1cncnc1 ZINC000054768195 170209508 /nfs/dbraw/zinc/20/95/08/170209508.db2.gz UANHVHYQOKIIEV-UHFFFAOYSA-N 1 0 209.249 0.519 10 0 BCAERO CCOC(=O)CC[NH2+][C@@H](C)CN1CCOCC1 ZINC000049505200 170210096 /nfs/dbraw/zinc/21/00/96/170210096.db2.gz XHYRMDKWQKQQBW-NSHDSACASA-N 1 0 244.335 0.250 10 0 BCAERO CCOC(=O)CC[NH2+][C@@H]1CCC(=O)N[C@@H]1C ZINC000309837204 170210157 /nfs/dbraw/zinc/21/01/57/170210157.db2.gz BNEVJRCFLGYPNC-RKDXNWHRSA-N 1 0 228.292 0.196 10 0 BCAERO CCOC(=O)CN(C)C(=O)[C@H]([NH3+])[C@@H](C)CC ZINC000236834806 170214147 /nfs/dbraw/zinc/21/41/47/170214147.db2.gz RCVHATLXDMXQCJ-WCBMZHEXSA-N 1 0 230.308 0.381 10 0 BCAERO CCOC(=O)CNC(=O)[C@@]1(CC)CCC[NH2+]C1 ZINC000062856006 170223801 /nfs/dbraw/zinc/22/38/01/170223801.db2.gz QYNGCSXQHWWQSU-LBPRGKRZSA-N 1 0 242.319 0.446 10 0 BCAERO CCOC(=O)CN[C@@H](C)C[NH+](CC)CC ZINC000045705009 170226399 /nfs/dbraw/zinc/22/63/99/170226399.db2.gz RFNXWXRWCYWJRZ-JTQLQIEISA-N 1 0 216.325 0.869 10 0 BCAERO CCOC(=O)CN[C@H]1C[NH+]2CCC1CC2 ZINC000020071033 170227446 /nfs/dbraw/zinc/22/74/46/170227446.db2.gz BDGFPHAVIRQEJT-JTQLQIEISA-N 1 0 212.293 0.233 10 0 BCAERO CCOC(=O)N(CC[NH3+])Cc1ccncc1 ZINC000253577822 170238412 /nfs/dbraw/zinc/23/84/12/170238412.db2.gz XNLFHDCVOKINMI-UHFFFAOYSA-N 1 0 223.276 0.999 10 0 BCAERO CCOC(=O)N(CC[NH3+])Cc1cccnc1 ZINC000253574580 170238644 /nfs/dbraw/zinc/23/86/44/170238644.db2.gz SUPQFVAOUNYOSX-UHFFFAOYSA-N 1 0 223.276 0.999 10 0 BCAERO CCOC(=O)[C@@H](C)[C@@H](C)[NH2+]CC(C)(C)O ZINC000309064256 170248065 /nfs/dbraw/zinc/24/80/65/170248065.db2.gz YKGYXRFWHNTROM-DTWKUNHWSA-N 1 0 217.309 0.935 10 0 BCAERO CCOC(=O)[C@@H](C[NH3+])c1cccc(O)c1 ZINC000075617614 170251974 /nfs/dbraw/zinc/25/19/74/170251974.db2.gz DRUVQIGURNLEDI-JTQLQIEISA-N 1 0 209.245 0.998 10 0 BCAERO CCOC(=O)[C@@H](N)C[N@H+](C)CC(C)(C)C ZINC000045423758 170253095 /nfs/dbraw/zinc/25/30/95/170253095.db2.gz NELRZGTYPVYKRV-VIFPVBQESA-N 1 0 216.325 0.855 10 0 BCAERO CCOC(=O)[C@@H](c1cccnc1)N1CC[NH2+]CC1 ZINC000037964174 170256544 /nfs/dbraw/zinc/25/65/44/170256544.db2.gz OEBCIQDIEODOOK-GFCCVEGCSA-N 1 0 249.314 0.591 10 0 BCAERO CCOC(=O)[C@@H]1CCCN1CC[NH+](C)C ZINC000050064152 170258450 /nfs/dbraw/zinc/25/84/50/170258450.db2.gz DGMRVSFWAIXZMG-JTQLQIEISA-N 1 0 214.309 0.576 10 0 BCAERO CCOC(=O)[C@@H]1SC(=[NH2+])N(N)[C@@H]1C ZINC000197888701 170260371 /nfs/dbraw/zinc/26/03/71/170260371.db2.gz FJIZHFAPXZUDEL-RFZPGFLSSA-N 1 0 203.267 0.164 10 0 BCAERO CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+][C@H](C)[C@H]1C[C@H]1C ZINC000657607580 411561322 /nfs/dbraw/zinc/56/13/22/411561322.db2.gz ZLSYCBUZPDSGGV-SAVGLBRCSA-N 1 0 247.360 0.433 10 0 BCAERO CCOC(=O)[C@H](C[NH3+])Cc1ccnn1C ZINC000076160552 170273028 /nfs/dbraw/zinc/27/30/28/170273028.db2.gz WKHBSOUHUAQGCH-QMMMGPOBSA-N 1 0 211.265 0.101 10 0 BCAERO CCOC(=O)[C@H](N)C[N@H+](CC)C(C)C ZINC000045383483 170274676 /nfs/dbraw/zinc/27/46/76/170274676.db2.gz ISJFJRYQWKMWOE-SECBINFHSA-N 1 0 202.298 0.607 10 0 BCAERO CCOC(=O)[C@H](N)C[N@@H+]1CC[C@@H](C)C1 ZINC000223010040 170275943 /nfs/dbraw/zinc/27/59/43/170275943.db2.gz UMYUHLIBUOBXSX-RKDXNWHRSA-N 1 0 200.282 0.219 10 0 BCAERO CCOC(=O)[C@H]1CCCCN1C(=O)C[C@H](C)[NH3+] ZINC000037825341 170279781 /nfs/dbraw/zinc/27/97/81/170279781.db2.gz XACYCVFDZYQETI-VHSXEESVSA-N 1 0 242.319 0.668 10 0 BCAERO CCOC(=O)[C@H]1N[C@H]2C[C@@H]1[C@@H]1OC(C)(C)O[C@@H]21 ZINC000169805941 170282910 /nfs/dbraw/zinc/28/29/10/170282910.db2.gz JJQYWHISCWGHHN-WYCDGMCDSA-N 1 0 241.287 0.430 10 0 BCAERO CCOC(=O)[C@](C)(O)C[NH2+][C@@H]1CSC[C@H]1C ZINC000336779130 170284766 /nfs/dbraw/zinc/28/47/66/170284766.db2.gz NGLCCUVNHUYGGC-FXPVBKGRSA-N 1 0 247.360 0.642 10 0 BCAERO CCOC(=O)[C@]1(NC)C=CC([NH2+]C)=CC1 ZINC000103619908 170285578 /nfs/dbraw/zinc/28/55/78/170285578.db2.gz QJNWJBHJIZIDSP-NSHDSACASA-N 1 0 210.277 0.571 10 0 BCAERO CCOC(=O)[C@]1(COC)CCC[NH2+]C1 ZINC000216654354 170285859 /nfs/dbraw/zinc/28/58/59/170285859.db2.gz NJJMTZFBHZYZGB-SNVBAGLBSA-N 1 0 201.266 0.566 10 0 BCAERO CCOC(=O)c1cn2c(n1)C[N@@H+](C)CC2 ZINC000036472941 170300686 /nfs/dbraw/zinc/30/06/86/170300686.db2.gz DEQZHPHBXYMRRM-UHFFFAOYSA-N 1 0 209.249 0.505 10 0 BCAERO CCOCC(=O)NCCCOC1CC[NH2+]CC1 ZINC000104389069 170343983 /nfs/dbraw/zinc/34/39/83/170343983.db2.gz PKFUKNQTLFQOSO-UHFFFAOYSA-N 1 0 244.335 0.298 10 0 BCAERO CCOCCCNC(=O)[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000019507926 170378713 /nfs/dbraw/zinc/37/87/13/170378713.db2.gz MSIPALYPMGQMRQ-WDEREUQCSA-N 1 0 228.336 0.917 10 0 BCAERO CCOCCC[NH2+]CCN1CCNC1=O ZINC000020055039 170380326 /nfs/dbraw/zinc/38/03/26/170380326.db2.gz MINJVGWMRVDSIR-UHFFFAOYSA-N 1 0 215.297 0.028 10 0 BCAERO CCOCCN(CC)C(=O)C1([NH3+])CCOCC1 ZINC000127950334 170393118 /nfs/dbraw/zinc/39/31/18/170393118.db2.gz YXWPZLISRWFMGJ-UHFFFAOYSA-N 1 0 244.335 0.379 10 0 BCAERO Cc1cc(NC(=O)[C@@H]2CCC[NH2+][C@H]2C)no1 ZINC000335593625 411627789 /nfs/dbraw/zinc/62/77/89/411627789.db2.gz JEQPSFCFFGWFJP-DTWKUNHWSA-N 1 0 223.276 1.310 10 0 BCAERO CCOCCNC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000084309667 170409663 /nfs/dbraw/zinc/40/96/63/170409663.db2.gz APYILIZEHUPPFV-NXEZZACHSA-N 1 0 214.309 0.514 10 0 BCAERO CCOCC[NH2+]C[C@H](O)COCc1ccco1 ZINC000037892755 170411920 /nfs/dbraw/zinc/41/19/20/170411920.db2.gz ABXLLGAJODRZSW-NSHDSACASA-N 1 0 243.303 0.783 10 0 BCAERO CCn1ccnc(N[C@@H]2CC[N@H+](CC)C2)c1=O ZINC000389420689 411636396 /nfs/dbraw/zinc/63/63/96/411636396.db2.gz VISRHPHDSXFKHG-SNVBAGLBSA-N 1 0 236.319 0.769 10 0 BCAERO OCC1CC([NH2+]C[C@@H](O)CC(F)(F)F)C1 ZINC000663374179 411640160 /nfs/dbraw/zinc/64/01/60/411640160.db2.gz HCEMWJQJFIWEGO-RRQHEKLDSA-N 1 0 227.226 0.660 10 0 BCAERO Cc1n[nH]cc1C[NH2+]C[C@@H]1CC(=O)N(C)C1 ZINC000657696802 411581056 /nfs/dbraw/zinc/58/10/56/411581056.db2.gz KXSSYLPAPPQVKO-VIFPVBQESA-N 1 0 222.292 0.286 10 0 BCAERO CN1C[C@H](C[NH2+]Cc2ccccn2)CC1=O ZINC000657694760 411581157 /nfs/dbraw/zinc/58/11/57/411581157.db2.gz QKMHOZVXTSCKQZ-JTQLQIEISA-N 1 0 219.288 0.650 10 0 BCAERO CN1C[C@@H](C[NH2+]Cc2nccs2)CC1=O ZINC000657697575 411581919 /nfs/dbraw/zinc/58/19/19/411581919.db2.gz QDEYUYAWVDHCBA-MRVPVSSYSA-N 1 0 225.317 0.711 10 0 BCAERO CO[C@@]1(C)C[C@H]1[NH2+]Cc1cnn(C)c1C ZINC000657788519 411595923 /nfs/dbraw/zinc/59/59/23/411595923.db2.gz RKWIYUJJGGUJSO-MNOVXSKESA-N 1 0 209.293 0.996 10 0 BCAERO CC(C)n1cc(C[NH2+]C2CC(CO)C2)nn1 ZINC000657811343 411602738 /nfs/dbraw/zinc/60/27/38/411602738.db2.gz VSCFQCOYFFBJRJ-UHFFFAOYSA-N 1 0 224.308 0.720 10 0 BCAERO CNC(=O)c1ccc(C[NH2+]C2CC(CO)C2)cc1 ZINC000657813404 411603636 /nfs/dbraw/zinc/60/36/36/411603636.db2.gz WNRITQPREYDMPF-UHFFFAOYSA-N 1 0 248.326 0.907 10 0 BCAERO CCn1nccc1C[NH2+]C1CC(CO)C1 ZINC000657812771 411604237 /nfs/dbraw/zinc/60/42/37/411604237.db2.gz NMJJZXRXUYEVCI-UHFFFAOYSA-N 1 0 209.293 0.764 10 0 BCAERO COC[C@H](C[N@@H+]1CCC[C@@H](O)[C@@H]1C)OC ZINC000660691966 411617696 /nfs/dbraw/zinc/61/76/96/411617696.db2.gz KVMWGWIRAMLTRX-GARJFASQSA-N 1 0 217.309 0.493 10 0 BCAERO CCO[C@@H]1CCCN(C[C@@H]2C[C@H](OC)C[NH2+]2)C1 ZINC000042425554 170479862 /nfs/dbraw/zinc/47/98/62/170479862.db2.gz VEDUQNWNWOARDV-XQQFMLRXSA-N 1 0 242.363 0.864 10 0 BCAERO COC[C@H](C[N@@H+]1C[C@@H](C)C[C@H](O)C1)OC ZINC000660757499 411621327 /nfs/dbraw/zinc/62/13/27/411621327.db2.gz MLXHKHTVIROCFA-DCAQKATOSA-N 1 0 217.309 0.351 10 0 BCAERO CCO[C@@H]1C[C@@H]1C(=O)N(C)C1CC[NH2+]CC1 ZINC000236851206 170484115 /nfs/dbraw/zinc/48/41/15/170484115.db2.gz DURSLOPSQCHGQB-WDEREUQCSA-N 1 0 226.320 0.622 10 0 BCAERO CCO[C@@H]1C[C@@H]1C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000246881457 170486424 /nfs/dbraw/zinc/48/64/24/170486424.db2.gz HZVWDZJILSHMOK-OUAUKWLOSA-N 1 0 226.320 0.527 10 0 BCAERO Cc1ccc2ncnc(NCC[NH3+])c2c1 ZINC000420128823 411709678 /nfs/dbraw/zinc/70/96/78/411709678.db2.gz WIYUGKHFWJAFOH-UHFFFAOYSA-N 1 0 202.261 1.309 10 0 BCAERO CCO[C@H](C)C(=O)N1CCC[C@H]1C[NH3+] ZINC000236908550 170496879 /nfs/dbraw/zinc/49/68/79/170496879.db2.gz CYEOEENQVCQVBS-BDAKNGLRSA-N 1 0 200.282 0.361 10 0 BCAERO Cc1cc(NCCOCCC[NH3+])ncn1 ZINC000630538306 411650475 /nfs/dbraw/zinc/65/04/75/411650475.db2.gz YCQKCYLUZGDXKZ-UHFFFAOYSA-N 1 0 210.281 0.562 10 0 BCAERO CCO[C@H]1C[C@@H]1C(=O)NCC1=CC[NH2+]CC1 ZINC000186271811 170508938 /nfs/dbraw/zinc/50/89/38/170508938.db2.gz URWFCHSWGAOWPG-QWRGUYRKSA-N 1 0 224.304 0.447 10 0 BCAERO CCOc1cc(N(C)[C@@H](C)C[NH3+])ncn1 ZINC000125471963 170523971 /nfs/dbraw/zinc/52/39/71/170523971.db2.gz MFBOUPQPDFHDJH-QMMMGPOBSA-N 1 0 210.281 0.659 10 0 BCAERO O[C@@H]1C[NH2+]C[C@H]1CNc1ccc(Cl)cn1 ZINC000420253290 411695859 /nfs/dbraw/zinc/69/58/59/411695859.db2.gz PLBBBTVEHQEARG-IONNQARKSA-N 1 0 227.695 0.727 10 0 BCAERO O[C@H]1C[NH2+]C[C@H]1CNc1nc2ccccc2s1 ZINC000420259837 411696822 /nfs/dbraw/zinc/69/68/22/411696822.db2.gz ZIIIHSDKRYDPIY-WPRPVWTQSA-N 1 0 249.339 1.289 10 0 BCAERO c1cc2c(ncnc2NC[C@H]2CCC[NH2+]2)[nH]1 ZINC000420158818 411701271 /nfs/dbraw/zinc/70/12/71/411701271.db2.gz BVVILGNNPNTQFV-MRVPVSSYSA-N 1 0 217.276 1.122 10 0 BCAERO c1cc2c(ncnc2NCC[NH2+]C2CC2)[nH]1 ZINC000381350141 411701872 /nfs/dbraw/zinc/70/18/72/411701872.db2.gz BKDFDFTUADWYFI-UHFFFAOYSA-N 1 0 217.276 1.122 10 0 BCAERO CC[C@@H]([NH3+])CNc1ncnc2[nH]ccc21 ZINC000420270126 411729285 /nfs/dbraw/zinc/72/92/85/411729285.db2.gz UQAOVJWCAVFATF-SSDOTTSWSA-N 1 0 205.265 1.107 10 0 BCAERO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1C(=O)N1CCC[C@H]([NH3+])C1 ZINC000087236686 487620513 /nfs/dbraw/zinc/62/05/13/487620513.db2.gz PSOBYTIOWGAKSB-HHHUOAJASA-N 1 0 240.347 0.996 10 0 BCAERO CCS(=O)(=O)CC[C@H]1CCC[C@H]1[NH3+] ZINC000042397640 170609757 /nfs/dbraw/zinc/60/97/57/170609757.db2.gz KYFPLOMUUIHBHM-RKDXNWHRSA-N 1 0 205.323 0.939 10 0 BCAERO CCOc1nccnc1N[C@H]1CC[C@H](C[NH3+])C1 ZINC000561267651 411719747 /nfs/dbraw/zinc/71/97/47/411719747.db2.gz PLPGYBDZCIQZSB-UWVGGRQHSA-N 1 0 236.319 1.415 10 0 BCAERO CCn1c(C)nnc1C[NH2+][C@H](CO)C1CCC1 ZINC000661151123 411720030 /nfs/dbraw/zinc/72/00/30/411720030.db2.gz CBRVLZOZXIWOPT-LLVKDONJSA-N 1 0 238.335 0.857 10 0 BCAERO CCOc1nccnc1N[C@H](C)C[C@H](C)[NH3+] ZINC000578132248 411720123 /nfs/dbraw/zinc/72/01/23/411720123.db2.gz UUBKVQHRUCYKPT-DTWKUNHWSA-N 1 0 224.308 1.413 10 0 BCAERO CCOc1nccnc1N[C@H]1CC[NH2+]C1 ZINC000571344660 411721075 /nfs/dbraw/zinc/72/10/75/411721075.db2.gz VSDYGPYYWNFSPZ-QMMMGPOBSA-N 1 0 208.265 0.649 10 0 BCAERO CCOc1nccnc1NC[C@H]([NH3+])CC ZINC000563664124 411721108 /nfs/dbraw/zinc/72/11/08/411721108.db2.gz ZKSOLZWRKCEYIT-MRVPVSSYSA-N 1 0 210.281 1.025 10 0 BCAERO CN1CCC[C@H]1C[NH2+][C@@H](CO)C1CCC1 ZINC000661157008 411722856 /nfs/dbraw/zinc/72/28/56/411722856.db2.gz ZTMZEUMVALJJQR-RYUDHWBXSA-N 1 0 212.337 0.831 10 0 BCAERO OC[C@H]1COCC[N@@H+]1CC[C@H]1CCCCO1 ZINC000661563521 411798461 /nfs/dbraw/zinc/79/84/61/411798461.db2.gz YZGQCAICFXRQSR-NWDGAFQWSA-N 1 0 229.320 0.639 10 0 BCAERO CCn1ccnc(N[C@@H]2CC[NH2+][C@H]2C)c1=O ZINC000630545367 411812624 /nfs/dbraw/zinc/81/26/24/411812624.db2.gz MKSKMEWMZFCJBR-DTWKUNHWSA-N 1 0 222.292 0.426 10 0 BCAERO CC[C@@H](C)N(C)C1(C[NH3+])CCS(=O)(=O)CC1 ZINC000042332263 170722179 /nfs/dbraw/zinc/72/21/79/170722179.db2.gz NTSPENOSKGDKIU-SNVBAGLBSA-N 1 0 248.392 0.623 10 0 BCAERO C[C@@H]1CC[C@@H](Nc2nccn3cnnc23)C[NH2+]1 ZINC000630533400 411837655 /nfs/dbraw/zinc/83/76/55/411837655.db2.gz PDXCHTVCJNVBFG-RKDXNWHRSA-N 1 0 232.291 0.677 10 0 BCAERO CC(=O)N1CCOCC[C@@H]1c1ccc(N)nc1 ZINC000616656454 411855579 /nfs/dbraw/zinc/85/55/79/411855579.db2.gz AWZWBOGSXVWEPF-LLVKDONJSA-N 1 0 235.287 0.974 10 0 BCAERO C[N@@H+]1CCOC[C@@H](c2ccc(N)nc2)C1 ZINC000616659477 411895026 /nfs/dbraw/zinc/89/50/26/411895026.db2.gz AWOQGNZWHBBKIX-JTQLQIEISA-N 1 0 207.277 0.709 10 0 BCAERO C[N@@H+]1CCOC[C@@H](c2ccnc(N)c2)C1 ZINC000616599501 411896077 /nfs/dbraw/zinc/89/60/77/411896077.db2.gz ZVWSOIZJTLJTDF-JTQLQIEISA-N 1 0 207.277 0.709 10 0 BCAERO CC[C@@H]([NH3+])[C@@H](c1cnn(C)c1)n1ccnc1 ZINC000043232517 170867547 /nfs/dbraw/zinc/86/75/47/170867547.db2.gz JQFKVTUQWFDGNK-GHMZBOCLSA-N 1 0 219.292 0.943 10 0 BCAERO Nc1ccc(C2CCN(CC[NH3+])CC2)cn1 ZINC000616619637 411976213 /nfs/dbraw/zinc/97/62/13/411976213.db2.gz PQWSYGZPPFJEQA-UHFFFAOYSA-N 1 0 220.320 0.802 10 0 BCAERO CC[C@@H](NC(=O)[C@]1(C)CCCC[NH2+]1)C(=O)OC ZINC000236951978 170883136 /nfs/dbraw/zinc/88/31/36/170883136.db2.gz DPXKFYIXZGWQIO-SKDRFNHKSA-N 1 0 242.319 0.586 10 0 BCAERO Nc1n[nH]cc1[C@H]1CCC[N@H+](CCO)CC1 ZINC000616600302 411987531 /nfs/dbraw/zinc/98/75/31/411987531.db2.gz GWFLOALHFYLABI-VIFPVBQESA-N 1 0 224.308 0.554 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)NCC1(CO)CC1 ZINC000132494563 412008524 /nfs/dbraw/zinc/00/85/24/412008524.db2.gz OJXIUKMMRHLITL-MRVPVSSYSA-N 1 0 200.282 0.003 10 0 BCAERO Nc1cc([C@@H]2CCCC[N@H+](CCO)C2)[nH]n1 ZINC000616656459 411947251 /nfs/dbraw/zinc/94/72/51/411947251.db2.gz YBIBKTJYPYRYET-SECBINFHSA-N 1 0 224.308 0.554 10 0 BCAERO Nc1ccc([C@H]2CC[N@H+](CCO)C2)cn1 ZINC000616613506 411959890 /nfs/dbraw/zinc/95/98/90/411959890.db2.gz KUKOTERLUWDZFP-JTQLQIEISA-N 1 0 207.277 0.445 10 0 BCAERO C[C@@H]1COC[C@H](C)N1C[C@H]1C[NH2+]CCO1 ZINC000662254884 412048486 /nfs/dbraw/zinc/04/84/86/412048486.db2.gz BQUKXQAXVCFXCH-OUAUKWLOSA-N 1 0 214.309 0.084 10 0 BCAERO CC[C@@H]1CC[N@@H+]1CCCS(N)(=O)=O ZINC000308413504 171022926 /nfs/dbraw/zinc/02/29/26/171022926.db2.gz PLJFSCKMXHYBLZ-MRVPVSSYSA-N 1 0 206.311 0.149 10 0 BCAERO CC[C@@H]1CN(C(=O)[C@H]([NH3+])C(C)(C)C)CCO1 ZINC000077488205 171069899 /nfs/dbraw/zinc/06/98/99/171069899.db2.gz SFQDUGIAKPCPCS-ZJUUUORDSA-N 1 0 228.336 0.997 10 0 BCAERO CC[C@@H]1CN(C(C)(C)CO)[C@H](C)C[NH2+]1 ZINC000083343484 171073454 /nfs/dbraw/zinc/07/34/54/171073454.db2.gz DQDPWAXKNBLBJH-NXEZZACHSA-N 1 0 200.326 0.830 10 0 BCAERO CC[C@@H]1CN(CCCO)[C@H](CC)C[NH2+]1 ZINC000083117830 171080765 /nfs/dbraw/zinc/08/07/65/171080765.db2.gz YJBDXZKRKBRRIJ-GHMZBOCLSA-N 1 0 200.326 0.831 10 0 BCAERO CC[C@@H]1CN(CCCO)CC[N@@H+]1CCOC ZINC000105914470 171081386 /nfs/dbraw/zinc/08/13/86/171081386.db2.gz ARYOJXXHKCMABB-GFCCVEGCSA-N 1 0 230.352 0.411 10 0 BCAERO CC[C@@H]1CN(CCCO)CC[N@@H+]1C[C@@H](C)O ZINC000105912650 171081826 /nfs/dbraw/zinc/08/18/26/171081826.db2.gz SILGDTOKSZRPIJ-VXGBXAGGSA-N 1 0 230.352 0.146 10 0 BCAERO CC[C@@H]1CN(c2c(N)c(C)nn2C)CC[N@@H+]1C ZINC000104135860 171097817 /nfs/dbraw/zinc/09/78/17/171097817.db2.gz NXFQTRSYQDVNFI-SNVBAGLBSA-N 1 0 237.351 0.841 10 0 BCAERO CC[C@@H]1C[NH+]=C(c2ccc(N)c(N)c2)N1 ZINC000039100935 171100676 /nfs/dbraw/zinc/10/06/76/171100676.db2.gz PGIVMHQIYNZJOX-MRVPVSSYSA-N 1 0 204.277 0.979 10 0 BCAERO CC[C@@H]1COCCN1C(=O)[C@@H]1CC[NH2+]C1 ZINC000062113041 171104749 /nfs/dbraw/zinc/10/47/49/171104749.db2.gz XSNKGEIPGBFAQX-NXEZZACHSA-N 1 0 212.293 0.233 10 0 BCAERO CC[C@@H]1CO[C@@H](C)C[N@@H+]1CCn1ccc(N)n1 ZINC000071377892 171110862 /nfs/dbraw/zinc/11/08/62/171110862.db2.gz RBCKLUZYHIDDEW-WDEREUQCSA-N 1 0 238.335 0.965 10 0 BCAERO CC[C@@H]1NC(=O)N(C2CC[NH2+]CC2)C1=O ZINC000039101482 171143532 /nfs/dbraw/zinc/14/35/32/171143532.db2.gz UDULDRUIQMXVBM-QMMMGPOBSA-N 1 0 211.265 0.069 10 0 BCAERO CC(C)(C)[C@H](O)CNC(=O)CC[C@@H]1CC[NH2+]C1 ZINC000324480418 487621775 /nfs/dbraw/zinc/62/17/75/487621775.db2.gz CRYKPCBDVATPQJ-GHMZBOCLSA-N 1 0 242.363 0.899 10 0 BCAERO CC[C@@](C)(C(=O)OC)N1CC[NH2+]CC1 ZINC000037963620 171163953 /nfs/dbraw/zinc/16/39/53/171163953.db2.gz FKRLCAFEWWCFDJ-JTQLQIEISA-N 1 0 200.282 0.233 10 0 BCAERO CC[C@@](C)(C[NH3+])[C@H]1CCS(=O)(=O)C1 ZINC000054637135 171166922 /nfs/dbraw/zinc/16/69/22/171166922.db2.gz NOOHQFKGYIVHTO-IUCAKERBSA-N 1 0 205.323 0.796 10 0 BCAERO CC[C@@](C)(C[NH3+])N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000036869825 171167267 /nfs/dbraw/zinc/16/72/67/171167267.db2.gz UAOFTOJNCSTFOT-ZJUUUORDSA-N 1 0 234.365 0.233 10 0 BCAERO CC[C@@](C)(O)C[N@@H+]1CCC[C@H](O)CC1 ZINC000307146955 171177652 /nfs/dbraw/zinc/17/76/52/171177652.db2.gz ODNYYUYLABXKOA-WDEREUQCSA-N 1 0 201.310 0.994 10 0 BCAERO CC[C@@](C)(O)C[N@H+](C)CCOCCO ZINC000301053508 171177889 /nfs/dbraw/zinc/17/78/89/171177889.db2.gz YJPUSDNVVDCUJL-SNVBAGLBSA-N 1 0 205.298 0.088 10 0 BCAERO CC[C@@](C)(O)C[N@H+](C)CCOCCOC ZINC000336712880 171177892 /nfs/dbraw/zinc/17/78/92/171177892.db2.gz VGAUYQIYZXGAJY-LLVKDONJSA-N 1 0 219.325 0.742 10 0 BCAERO CC[C@@](C)(O)CN1CCO[C@H](C[NH+](C)C)C1 ZINC000123570785 171178528 /nfs/dbraw/zinc/17/85/28/171178528.db2.gz RXQLWNOIPSFWHA-VXGBXAGGSA-N 1 0 230.352 0.410 10 0 BCAERO CC[C@@](C)(O)C[N@@H+]1C[C@@H](O)C(C)(C)C1 ZINC000307366031 171180567 /nfs/dbraw/zinc/18/05/67/171180567.db2.gz MOSNENYMDVKUOU-MWLCHTKSSA-N 1 0 201.310 0.850 10 0 BCAERO CC[C@@]1(C)NC(=O)N(C[C@@H]2CCC[NH2+]2)C1=O ZINC000043495900 171209844 /nfs/dbraw/zinc/20/98/44/171209844.db2.gz CJTUGNNAHKIUDG-GZMMTYOYSA-N 1 0 225.292 0.459 10 0 BCAERO CC[C@@]1(C)NC(=O)N(C[C@H]2CCC[NH2+]C2)C1=O ZINC000043493739 171209926 /nfs/dbraw/zinc/20/99/26/171209926.db2.gz SKPBXYBPTKTISC-JOYOIKCWSA-N 1 0 239.319 0.707 10 0 BCAERO CC[C@H](C(=O)OC)N1C[C@H](C)[C@H]([NH+](C)C)C1 ZINC000358815835 171241776 /nfs/dbraw/zinc/24/17/76/171241776.db2.gz JREIVKDMEHWUKG-HBNTYKKESA-N 1 0 228.336 0.820 10 0 BCAERO CC[C@H](C(N)=O)[N@@H+]1CCc2c(N)cccc2C1 ZINC000061678255 171244841 /nfs/dbraw/zinc/24/48/41/171244841.db2.gz JWYXSYXOMGRXRO-GFCCVEGCSA-N 1 0 233.315 0.891 10 0 BCAERO CC[C@H](C)C(=O)N1CCN(CC[NH3+])CC1 ZINC000037038263 171248380 /nfs/dbraw/zinc/24/83/80/171248380.db2.gz ZGOSPWMEWGXAGD-JTQLQIEISA-N 1 0 213.325 0.135 10 0 BCAERO CC[C@H](C)N(CC[NH2+]C)S(C)(=O)=O ZINC000076584614 171313711 /nfs/dbraw/zinc/31/37/11/171313711.db2.gz PNBDGBXTYKOHNY-QMMMGPOBSA-N 1 0 208.327 0.266 10 0 BCAERO CC[C@H](C)NC(=O)CCN1CC[NH2+]CC1 ZINC000020270008 171322595 /nfs/dbraw/zinc/32/25/95/171322595.db2.gz JYYZLEKGSCJYPT-JTQLQIEISA-N 1 0 213.325 0.196 10 0 BCAERO CC[C@H](C)NC(=O)CN(C)CCC(=O)OC ZINC000050067737 171323521 /nfs/dbraw/zinc/32/35/21/171323521.db2.gz AOMFNLBDKPQKFZ-VIFPVBQESA-N 1 0 230.308 0.396 10 0 BCAERO CC[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H](C)C(=O)N(C)C ZINC000042570884 171334881 /nfs/dbraw/zinc/33/48/81/171334881.db2.gz QJAXOIFZVHHHJK-GUBZILKMSA-N 1 0 243.351 0.356 10 0 BCAERO CC[C@H](C)NC(=S)N1CC[NH2+]CC1 ZINC000071508318 171338634 /nfs/dbraw/zinc/33/86/34/171338634.db2.gz ZCTQRIVYNVANEB-QMMMGPOBSA-N 1 0 201.339 0.565 10 0 BCAERO CC[C@H](C)[NH2+]C1(C(N)=O)C[C@H]2CC[C@@H](C1)N2C ZINC000038064797 171339016 /nfs/dbraw/zinc/33/90/16/171339016.db2.gz BCEANWSWVISVIE-HQFGAJJPSA-N 1 0 239.363 0.855 10 0 BCAERO CC[C@H](C)[NH2+]CC(=O)N1CCC[C@H]1C(=O)OC ZINC000037804277 171339233 /nfs/dbraw/zinc/33/92/33/171339233.db2.gz SHMCBQDSSRTNMD-UWVGGRQHSA-N 1 0 242.319 0.539 10 0 BCAERO CC[C@H](C)[NH2+][C@@H]1CC(=O)N(C2CC2)C1=O ZINC000102665214 171346655 /nfs/dbraw/zinc/34/66/55/171346655.db2.gz JFFQDNMVJHLDPC-IONNQARKSA-N 1 0 210.277 0.664 10 0 BCAERO CC[C@H](C)[C@@H](C)[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038030874 171360960 /nfs/dbraw/zinc/36/09/60/171360960.db2.gz GQPCHMIVNUGSNG-NWDGAFQWSA-N 1 0 241.379 0.785 10 0 BCAERO CCn1c(C)nnc1CN1CC2CC1(C[NH3+])C2 ZINC000662304690 412088127 /nfs/dbraw/zinc/08/81/27/412088127.db2.gz UVSSZAAVIQXCRA-UHFFFAOYSA-N 1 0 235.335 0.530 10 0 BCAERO CC[C@H](C[NH3+])C(=O)N1CCOC(C)(C)C1 ZINC000044802279 171429868 /nfs/dbraw/zinc/42/98/68/171429868.db2.gz ZHGRHFLEHZCOAK-SECBINFHSA-N 1 0 214.309 0.609 10 0 BCAERO CC[C@H]([NH2+]C)C(=O)N[C@@H](C)[C@H]1CCCO1 ZINC000662377460 412129558 /nfs/dbraw/zinc/12/95/58/412129558.db2.gz HLBXIHQGZLSQFB-LPEHRKFASA-N 1 0 214.309 0.668 10 0 BCAERO CN(C[C@H]1CCCO1)C(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662469931 412186469 /nfs/dbraw/zinc/18/64/69/412186469.db2.gz MXUPAXAVFBRFDP-OPRDCNLKSA-N 1 0 212.293 0.361 10 0 BCAERO CC[C@H]([NH2+]C)C(=O)NC[C@@H]1CCCC[C@@H]1O ZINC000662490012 412190472 /nfs/dbraw/zinc/19/04/72/412190472.db2.gz ZRMRYGCOVYBMBL-DCAQKATOSA-N 1 0 228.336 0.652 10 0 BCAERO CC[C@H]([NH2+]C)C(=O)N[C@H]1CCC[C@@H](O)C1 ZINC000662495102 412194344 /nfs/dbraw/zinc/19/43/44/412194344.db2.gz HOZUZORHODLNOV-AEJSXWLSSA-N 1 0 214.309 0.404 10 0 BCAERO O=C(C[C@H]1CC[NH2+]C1)N[C@H]1CCC[C@H](O)C1 ZINC000662495360 412195552 /nfs/dbraw/zinc/19/55/52/412195552.db2.gz KMXAELGVYNJVJA-VWYCJHECSA-N 1 0 226.320 0.406 10 0 BCAERO CC[C@H](NC(=O)[C@H]1CCC[C@@H]1[NH3+])C(=O)OC ZINC000237038330 171508244 /nfs/dbraw/zinc/50/82/44/171508244.db2.gz DFGDOCQPOFNQIE-CIUDSAMLSA-N 1 0 228.292 0.182 10 0 BCAERO C[C@H](C[C@H](C)[NH3+])Nc1ccc(C#N)nn1 ZINC000396898831 412212407 /nfs/dbraw/zinc/21/24/07/412212407.db2.gz BGOUPMRZDHFDPM-JGVFFNPUSA-N 1 0 205.265 0.886 10 0 BCAERO [NH3+][C@H]1C[C@H](C(=O)NC[C@H]2CCC[C@H]2O)C1 ZINC000662549326 412212853 /nfs/dbraw/zinc/21/28/53/412212853.db2.gz QXOKMCQZQZRSAF-ZYUZMQFOSA-N 1 0 212.293 0.001 10 0 BCAERO C[C@H]([NH3+])CCNc1ccc2nncn2n1 ZINC000622012177 412213325 /nfs/dbraw/zinc/21/33/25/412213325.db2.gz UBYPPBQYLQBQIQ-ZETCQYMHSA-N 1 0 206.253 0.274 10 0 BCAERO CC[C@@H]([NH2+]C)C(=O)N1CCN2CCCC[C@H]2C1 ZINC000662418768 412159649 /nfs/dbraw/zinc/15/96/49/412159649.db2.gz TZHRZIBVHOHCBQ-NWDGAFQWSA-N 1 0 239.363 0.681 10 0 BCAERO CC[C@@H]([NH2+]C)C(=O)N[C@@H]1CCCOC1 ZINC000662448043 412164016 /nfs/dbraw/zinc/16/40/16/412164016.db2.gz FJAIXRWOILGWEF-RKDXNWHRSA-N 1 0 200.282 0.280 10 0 BCAERO CO[C@@H](C(=O)N1CCC[C@H]1C[NH3+])C1CCC1 ZINC000662425797 412165912 /nfs/dbraw/zinc/16/59/12/412165912.db2.gz NXCZIVDXFWZRSQ-WDEREUQCSA-N 1 0 226.320 0.751 10 0 BCAERO C[C@H]1CC[C@H](Nc2ccc3nnnn3n2)C[NH2+]1 ZINC000630534362 412262553 /nfs/dbraw/zinc/26/25/53/412262553.db2.gz KBEBRBQGMRUSMB-YUMQZZPRSA-N 1 0 233.279 0.072 10 0 BCAERO CC[C@H](OC)C(=O)N1CCCC[C@H]1C[NH3+] ZINC000261551686 171583442 /nfs/dbraw/zinc/58/34/42/171583442.db2.gz QUXCYZYQDXPHRV-UWVGGRQHSA-N 1 0 214.309 0.751 10 0 BCAERO O=C([C@H]1CC[NH2+]C1)N1CC[C@H]2COC[C@@H]2C1 ZINC000662710776 412274288 /nfs/dbraw/zinc/27/42/88/412274288.db2.gz JLVZNPYBMVPQOS-DCAQKATOSA-N 1 0 224.304 0.091 10 0 BCAERO C[NH2+][C@H](C)C(=O)N1CC[C@@H]2COC[C@H]2C1 ZINC000662710392 412278477 /nfs/dbraw/zinc/27/84/77/412278477.db2.gz IETUGABTOLUWGA-OPRDCNLKSA-N 1 0 212.293 0.089 10 0 BCAERO [NH3+][C@@H]1CC[C@H](C(=O)N2CC[C@H]3COC[C@@H]3C2)C1 ZINC000662711557 412279861 /nfs/dbraw/zinc/27/98/61/412279861.db2.gz OOEUHVUOCSMFDE-FIQHERPVSA-N 1 0 238.331 0.609 10 0 BCAERO CO[C@H](C(=O)N1C[C@@H](C)[C@@H]([NH3+])C1)C1CCC1 ZINC000662572794 412224817 /nfs/dbraw/zinc/22/48/17/412224817.db2.gz ZGYJNBFPIXOKRY-MIMYLULJSA-N 1 0 226.320 0.607 10 0 BCAERO CC(C)C[C@H](C[NH3+])CC(=O)N[C@@H]1CCNC1=O ZINC000662587034 412232004 /nfs/dbraw/zinc/23/20/04/412232004.db2.gz UMYAXWQIRKZIOC-VHSXEESVSA-N 1 0 241.335 0.002 10 0 BCAERO C[NH2+][C@H](C)C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000662619174 412241497 /nfs/dbraw/zinc/24/14/97/412241497.db2.gz JEFUGNBSWIVMGN-ZJUUUORDSA-N 1 0 227.352 0.583 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)NCC[C@@H](COC)OC ZINC000662617633 412243244 /nfs/dbraw/zinc/24/32/44/412243244.db2.gz OTUIKFYPHRNUEW-VHSXEESVSA-N 1 0 232.324 0.282 10 0 BCAERO CCC(C)(C)[C@H](C)NC(=O)[C@@H]([NH3+])COC ZINC000662626408 412246819 /nfs/dbraw/zinc/24/68/19/412246819.db2.gz NKHYJWMGKXLRAP-IUCAKERBSA-N 1 0 216.325 0.901 10 0 BCAERO CC[C@H]1CN(C(=O)C2(C[NH3+])CC2)CCO1 ZINC000082641899 171649703 /nfs/dbraw/zinc/64/97/03/171649703.db2.gz WPZRJHWRTLSDCS-VIFPVBQESA-N 1 0 212.293 0.363 10 0 BCAERO CC[C@H]1CN(C(=O)n2cc[n+](C)c2)CCO1 ZINC000036770554 171654417 /nfs/dbraw/zinc/65/44/17/171654417.db2.gz QVIQQLHOBYWZQQ-JTQLQIEISA-N 1 0 224.284 0.392 10 0 BCAERO CC(C)c1cc(NC[C@@H]2C[NH2+]C[C@@H]2O)ncn1 ZINC000420248327 412321633 /nfs/dbraw/zinc/32/16/33/412321633.db2.gz IBFDJOCAGKKPEH-ONGXEEELSA-N 1 0 236.319 0.592 10 0 BCAERO [NH3+]C1CCC(C(=O)N[C@H](CO)C2CCC2)CC1 ZINC000662849847 412321942 /nfs/dbraw/zinc/32/19/42/412321942.db2.gz OKGAUUPHOOFMKS-HTAVTVPLSA-N 1 0 240.347 0.781 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N[C@H](CO)C1CCC1 ZINC000662848965 412321975 /nfs/dbraw/zinc/32/19/75/412321975.db2.gz IXZXHLRHJKJRHE-VHSXEESVSA-N 1 0 214.309 0.391 10 0 BCAERO C[C@]1(C(=O)NC/C=C\CO)CCCC[NH2+]1 ZINC000662856015 412325365 /nfs/dbraw/zinc/32/53/65/412325365.db2.gz MCESVAPMMADZRW-DOGVGXBMSA-N 1 0 212.293 0.183 10 0 BCAERO CCC[C@H]1C[C@@H]1NC(=O)COC1(C)C[NH2+]C1 ZINC000219039423 412336011 /nfs/dbraw/zinc/33/60/11/412336011.db2.gz ZTDIOJPNMZZWIR-UWVGGRQHSA-N 1 0 226.320 0.670 10 0 BCAERO CN1C[C@@H](CNC(=O)CCC(C)(C)[NH3+])CC1=O ZINC000662887562 412336396 /nfs/dbraw/zinc/33/63/96/412336396.db2.gz ZYNBQEGYXSYXGS-SECBINFHSA-N 1 0 241.335 0.098 10 0 BCAERO CC(F)(F)CNC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000662898053 412339119 /nfs/dbraw/zinc/33/91/19/412339119.db2.gz KJKUAMCJRLJDGV-NTSWFWBYSA-N 1 0 210.199 0.458 10 0 BCAERO C[C@H]1[NH2+]CCC[C@H]1C(=O)NCCOCCF ZINC000663005835 412367456 /nfs/dbraw/zinc/36/74/56/412367456.db2.gz YFRYYMXRTMWWIS-NXEZZACHSA-N 1 0 232.299 0.477 10 0 BCAERO [NH3+]CC1(C(=O)N2CC[C@H]3C[C@H]3C2)CCOCC1 ZINC000662912515 412343638 /nfs/dbraw/zinc/34/36/38/412343638.db2.gz GWGJATSGDWJPPN-QWRGUYRKSA-N 1 0 238.331 0.610 10 0 BCAERO COC(=O)c1ccc(N[C@H](C)CC[NH3+])nc1C ZINC000379974158 412343987 /nfs/dbraw/zinc/34/39/87/412343987.db2.gz NSRQQAGZWIPSSN-MRVPVSSYSA-N 1 0 237.303 1.326 10 0 BCAERO CC(C)[C@H](NC(=O)[C@H]1C[NH2+]CCOC1)C1CC1 ZINC000662917543 412344732 /nfs/dbraw/zinc/34/47/32/412344732.db2.gz USVBLRRVHUWOQH-RYUDHWBXSA-N 1 0 240.347 0.773 10 0 BCAERO CC1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000662930809 412347842 /nfs/dbraw/zinc/34/78/42/412347842.db2.gz XGANLHDIMVJNBH-UPUXHGCUSA-N 1 0 238.331 0.499 10 0 BCAERO CCC[C@H]([NH3+])C(=O)Nc1nn(C)cc1C ZINC000662969938 412360396 /nfs/dbraw/zinc/36/03/96/412360396.db2.gz BHNIMXMIIUUIGD-QMMMGPOBSA-N 1 0 210.281 0.794 10 0 BCAERO C[C@]1(C(=O)NCCOCCF)CCC[NH2+]1 ZINC000663003642 412368033 /nfs/dbraw/zinc/36/80/33/412368033.db2.gz LZQFKQWCAKBGHQ-SNVBAGLBSA-N 1 0 218.272 0.231 10 0 BCAERO CN(C(=O)c1cc[nH]n1)[C@H](C[NH3+])C(F)(F)F ZINC000662978897 412362125 /nfs/dbraw/zinc/36/21/25/412362125.db2.gz JIRUUKNLKBYLDU-ZCFIWIBFSA-N 1 0 236.197 0.371 10 0 BCAERO [NH3+][C@H]1CCC[C@@H](C(=O)NCCOCCF)C1 ZINC000663005296 412368104 /nfs/dbraw/zinc/36/81/04/412368104.db2.gz SWECNBCYYXOPTD-ZJUUUORDSA-N 1 0 232.299 0.606 10 0 BCAERO CCCOCC(=O)N(C)[C@@H](C[NH3+])C(F)(F)F ZINC000662981923 412362909 /nfs/dbraw/zinc/36/29/09/412362909.db2.gz GRVSXPMLPQTDNL-ZETCQYMHSA-N 1 0 242.241 0.761 10 0 BCAERO C[NH2+]CCOCCNc1ncnc2[nH]ccc21 ZINC000630529669 412291317 /nfs/dbraw/zinc/29/13/17/412291317.db2.gz BURHZSYAHKNVBC-UHFFFAOYSA-N 1 0 235.291 0.606 10 0 BCAERO C[NH2+]CCOCCNc1ncncc1Cl ZINC000630527848 412291763 /nfs/dbraw/zinc/29/17/63/412291763.db2.gz UPHQNGZIYFNQAL-UHFFFAOYSA-N 1 0 230.699 0.778 10 0 BCAERO C[NH2+]CCOCCNc1ncc(C)c(C)n1 ZINC000630530102 412291782 /nfs/dbraw/zinc/29/17/82/412291782.db2.gz HZIAUIPZAVOVTE-UHFFFAOYSA-N 1 0 224.308 0.741 10 0 BCAERO C[NH2+]CCOCCNc1ccnc(N(C)C)n1 ZINC000630530868 412292166 /nfs/dbraw/zinc/29/21/66/412292166.db2.gz SCPBLBPVUSRQFA-UHFFFAOYSA-N 1 0 239.323 0.191 10 0 BCAERO [NH3+]CCNc1ccc(Br)nn1 ZINC000575555692 412299432 /nfs/dbraw/zinc/29/94/32/412299432.db2.gz AXYMKXLAHNRKPN-UHFFFAOYSA-N 1 0 217.070 0.610 10 0 BCAERO C[C@H]1[C@H]([NH3+])CCN1C(=O)c1c(Cl)cnn1C ZINC000662778488 412299610 /nfs/dbraw/zinc/29/96/10/412299610.db2.gz MOLDDDXJYOQRGQ-POYBYMJQSA-N 1 0 242.710 0.635 10 0 BCAERO COC[C@H]([NH3+])C(=O)NC[C@@H](C)C1CC1 ZINC000132987884 412383680 /nfs/dbraw/zinc/38/36/80/412383680.db2.gz ZNLJOACMURMSNX-APPZFPTMSA-N 1 0 200.282 0.122 10 0 BCAERO C[C@@H]([NH3+])[C@@H]1CN(C(=O)CC(F)(F)F)CCO1 ZINC000133013037 412388844 /nfs/dbraw/zinc/38/88/44/412388844.db2.gz RKXKKBGEYMGXOS-RQJHMYQMSA-N 1 0 240.225 0.513 10 0 BCAERO CC(C)(C[NH3+])C(=O)N[C@@H]1CCC[C@H](O)C1 ZINC000133048109 412393281 /nfs/dbraw/zinc/39/32/81/412393281.db2.gz QFFILIBSRPEOFC-BDAKNGLRSA-N 1 0 214.309 0.391 10 0 BCAERO CCCc1nccnc1N1CC[NH2+]CC1 ZINC000663270442 412403928 /nfs/dbraw/zinc/40/39/28/412403928.db2.gz LRIAKEVLLJGINH-UHFFFAOYSA-N 1 0 206.293 0.839 10 0 BCAERO COc1cc(C)nc(NCC23CC(C2)C[NH2+]3)n1 ZINC000663273767 412404630 /nfs/dbraw/zinc/40/46/30/412404630.db2.gz HZOTXQVKUSGSDE-UHFFFAOYSA-N 1 0 234.303 0.958 10 0 BCAERO CCCc1nccnc1NC[C@@H]1C[NH2+]CCO1 ZINC000663274936 412405087 /nfs/dbraw/zinc/40/50/87/412405087.db2.gz RVILCNKXLJGFHH-JTQLQIEISA-N 1 0 236.319 0.829 10 0 BCAERO CCn1ccnc(NCC23CC(C2)C[NH2+]3)c1=O ZINC000663274682 412405295 /nfs/dbraw/zinc/40/52/95/412405295.db2.gz TWXKEJMPMVOQHL-UHFFFAOYSA-N 1 0 234.303 0.427 10 0 BCAERO CC(C)[C@H]([NH3+])CCNc1nccn(C)c1=O ZINC000663276166 412405700 /nfs/dbraw/zinc/40/57/00/412405700.db2.gz MLNYUCZFEIWKBT-SECBINFHSA-N 1 0 224.308 0.566 10 0 BCAERO C[NH2+]C[C@@H](C)Nc1ccnc(N(C)C)n1 ZINC000663278378 412407320 /nfs/dbraw/zinc/40/73/20/412407320.db2.gz HNLGCJVZEHVADZ-MRVPVSSYSA-N 1 0 209.297 0.562 10 0 BCAERO C[NH2+]C[C@H](C)Nc1ccc(C(=O)N(C)C)cn1 ZINC000663278242 412407370 /nfs/dbraw/zinc/40/73/70/412407370.db2.gz FHKMUSFBOAIBOT-VIFPVBQESA-N 1 0 236.319 0.803 10 0 BCAERO C[NH2+]C[C@@H](C)Nc1ncnc2[nH]ccc21 ZINC000663278561 412407372 /nfs/dbraw/zinc/40/73/72/412407372.db2.gz JTICIOPZKUMIQW-SSDOTTSWSA-N 1 0 205.265 0.978 10 0 BCAERO C[NH2+]C[C@H](C)Nc1ncnc2c1cnn2C ZINC000663278247 412407487 /nfs/dbraw/zinc/40/74/87/412407487.db2.gz FIELYAKFVCYTEN-ZETCQYMHSA-N 1 0 220.280 0.383 10 0 BCAERO C[NH2+]C[C@@H](C)Nc1cnn(C)c(=O)c1Cl ZINC000663281605 412409127 /nfs/dbraw/zinc/40/91/27/412409127.db2.gz YYOZURINJKBSBB-ZCFIWIBFSA-N 1 0 230.699 0.454 10 0 BCAERO C[NH2+]C[C@H](C)Nc1cnn(C)c(=O)c1Cl ZINC000663281604 412409459 /nfs/dbraw/zinc/40/94/59/412409459.db2.gz YYOZURINJKBSBB-LURJTMIESA-N 1 0 230.699 0.454 10 0 BCAERO [NH3+][C@@H]1CC[C@@H](C(=O)NCC2(CO)CC2)C1 ZINC000133102062 412409884 /nfs/dbraw/zinc/40/98/84/412409884.db2.gz NJUDTTWNAUKPSN-RKDXNWHRSA-N 1 0 212.293 0.003 10 0 BCAERO CCc1ccc(OC)c(CCNC(=O)C[NH3+])c1 ZINC000057527823 171825549 /nfs/dbraw/zinc/82/55/49/171825549.db2.gz SNJSOKNZGNZEJW-UHFFFAOYSA-N 1 0 236.315 0.875 10 0 BCAERO CC(C)[C@@H](CCO)NC(=O)C[C@H]([NH3+])C(C)C ZINC000225810843 487623780 /nfs/dbraw/zinc/62/37/80/487623780.db2.gz LUKJVORQTCCTQA-WDEREUQCSA-N 1 0 230.352 0.883 10 0 BCAERO CCc1nc(CN[C@@H]2CCC[NH2+]C2)cc(=O)[nH]1 ZINC000045956889 172000100 /nfs/dbraw/zinc/00/01/00/172000100.db2.gz ILSWTJLBAUBSIK-SECBINFHSA-N 1 0 236.319 0.586 10 0 BCAERO CCc1nc(CN2CC[C@H]([NH3+])C2)cc(=O)[nH]1 ZINC000045956872 172000479 /nfs/dbraw/zinc/00/04/79/172000479.db2.gz ZQGBVAQVPYOLLQ-QMMMGPOBSA-N 1 0 222.292 0.278 10 0 BCAERO CCc1nc(CN2CC[C@@H]([NH3+])C2)cc(=O)[nH]1 ZINC000045956876 172001239 /nfs/dbraw/zinc/00/12/39/172001239.db2.gz ZQGBVAQVPYOLLQ-MRVPVSSYSA-N 1 0 222.292 0.278 10 0 BCAERO CCc1nc2ccccc2n1C[C@](C)([NH3+])C(N)=O ZINC000062808021 172013186 /nfs/dbraw/zinc/01/31/86/172013186.db2.gz WGXQOROAZSUMSE-ZDUSSCGKSA-N 1 0 246.314 0.801 10 0 BCAERO CCc1nc2n(n1)C[C@H]([NH2+]Cc1ncc[nH]1)CC2 ZINC000108879807 172015289 /nfs/dbraw/zinc/01/52/89/172015289.db2.gz XDBBUPDLMZPNAJ-SECBINFHSA-N 1 0 246.318 0.668 10 0 BCAERO CCc1nccn1[C@H]1COCC[C@@H]1[NH2+]C ZINC000044036627 172029458 /nfs/dbraw/zinc/02/94/58/172029458.db2.gz LCCYDTLZUMRTNY-UWVGGRQHSA-N 1 0 209.293 0.995 10 0 BCAERO CCc1ncnc(N2CC[C@@H](C[NH3+])C2)c1F ZINC000234180184 172031368 /nfs/dbraw/zinc/03/13/68/172031368.db2.gz XAJTULFOMRGFMX-QMMMGPOBSA-N 1 0 224.283 0.963 10 0 BCAERO CCc1nn(C(N)=[NH2+])c2c1CCCCN2 ZINC000005985050 172037402 /nfs/dbraw/zinc/03/74/02/172037402.db2.gz KKYGWQAMNQFAHU-UHFFFAOYSA-N 1 0 207.281 0.935 10 0 BCAERO CCc1nn(C)cc1C(=O)N1CCC[C@H]([NH3+])C1 ZINC000227543291 172039064 /nfs/dbraw/zinc/03/90/64/172039064.db2.gz HWFGFRICKRCRKK-VIFPVBQESA-N 1 0 236.319 0.546 10 0 BCAERO CCc1nnc(CN2C[C@@H](CC)[C@H](O)C2)n1C ZINC000341061770 172049840 /nfs/dbraw/zinc/04/98/40/172049840.db2.gz XYPCHKUCPODQTK-NXEZZACHSA-N 1 0 238.335 0.580 10 0 BCAERO CCc1nnc(CN2CC[NH2+]C[C@@H]2C)o1 ZINC000054374267 172050356 /nfs/dbraw/zinc/05/03/56/172050356.db2.gz DZEXCJCSZFPEIG-QMMMGPOBSA-N 1 0 210.281 0.426 10 0 BCAERO CCn1c(C)nnc1CN1CC[NH2+]CC1 ZINC000051658873 172139586 /nfs/dbraw/zinc/13/95/86/172139586.db2.gz VBMJJTCBNIURQN-UHFFFAOYSA-N 1 0 209.297 0.012 10 0 BCAERO CCn1c(C)nnc1[C@H]1C[C@H](OC)C[NH2+]1 ZINC000042030091 172142650 /nfs/dbraw/zinc/14/26/50/172142650.db2.gz VNXKEAICDRUKTI-DTWKUNHWSA-N 1 0 210.281 0.656 10 0 BCAERO CCn1cc(CN2CCC[NH2+][C@@H](C)C2=O)cn1 ZINC000063215268 172163663 /nfs/dbraw/zinc/16/36/63/172163663.db2.gz RUOVYOQRRXYDQA-JTQLQIEISA-N 1 0 236.319 0.613 10 0 BCAERO CCn1cc(C[N@@H+]2C[C@@H](OC)C[C@H]2CO)cn1 ZINC000344098818 172166819 /nfs/dbraw/zinc/16/68/19/172166819.db2.gz HOGLZMXYGHCBPQ-RYUDHWBXSA-N 1 0 239.319 0.485 10 0 BCAERO CCn1cc(C[N@@H+]2C[C@H](OC)C[C@H]2CO)cn1 ZINC000284505116 172167562 /nfs/dbraw/zinc/16/75/62/172167562.db2.gz HOGLZMXYGHCBPQ-NWDGAFQWSA-N 1 0 239.319 0.485 10 0 BCAERO CCn1cc(C[NH2+]C[C@H]2CN(C)CCO2)cn1 ZINC000083421854 172172535 /nfs/dbraw/zinc/17/25/35/172172535.db2.gz FEDVBICKHLGMPJ-LBPRGKRZSA-N 1 0 238.335 0.323 10 0 BCAERO CCn1cc(C[C@@H]([NH3+])c2ncccn2)cn1 ZINC000050542536 172177475 /nfs/dbraw/zinc/17/74/75/172177475.db2.gz XJXOBVYSXBLKTF-SNVBAGLBSA-N 1 0 217.276 0.936 10 0 BCAERO CCn1cc(NC(=O)[C@@H](C)[NH2+]C)ccc1=O ZINC000054074559 172182287 /nfs/dbraw/zinc/18/22/87/172182287.db2.gz DPFXKWHYOANPMP-MRVPVSSYSA-N 1 0 223.276 0.415 10 0 BCAERO CCn1cc(NC(=O)[C@@](C)([NH3+])C2CC2)ccc1=O ZINC000037766010 172183242 /nfs/dbraw/zinc/18/32/42/172183242.db2.gz BEUDGTDSWNDBTJ-ZDUSSCGKSA-N 1 0 249.314 0.934 10 0 BCAERO CCn1cc([C@@H]2NC(=O)CC[C@H]2[NH3+])cn1 ZINC000097112565 172196343 /nfs/dbraw/zinc/19/63/43/172196343.db2.gz SIAGUQYTBGASAB-SCZZXKLOSA-N 1 0 208.265 0.181 10 0 BCAERO CCn1ccnc(N2CCC[NH2+]CC2)c1=O ZINC000061752703 172210515 /nfs/dbraw/zinc/21/05/15/172210515.db2.gz QSVQKYIKXVTYNP-UHFFFAOYSA-N 1 0 222.292 0.063 10 0 BCAERO CCn1ccnc(N2CC[C@H](C[NH3+])C2)c1=O ZINC000061768215 172211196 /nfs/dbraw/zinc/21/11/96/172211196.db2.gz BXPCHNYFNFATIB-SECBINFHSA-N 1 0 222.292 0.048 10 0 BCAERO CCn1ccnc(N(C)[C@@H](C)CC(N)=[NH2+])c1=O ZINC000063092584 172211336 /nfs/dbraw/zinc/21/13/36/172211336.db2.gz JVBKTWWTBIJOQD-QMMMGPOBSA-N 1 0 237.307 0.414 10 0 BCAERO CCn1ccnc(O[C@H]2CC[NH2+]C2)c1=O ZINC000061771596 172214114 /nfs/dbraw/zinc/21/41/14/172214114.db2.gz JPYPSGJSOGTMQP-QMMMGPOBSA-N 1 0 209.249 0.004 10 0 BCAERO CCn1ccnc1Cn1ccnc1C[NH3+] ZINC000054743861 172226524 /nfs/dbraw/zinc/22/65/24/172226524.db2.gz VKDSEWFFPAKLQK-UHFFFAOYSA-N 1 0 205.265 0.607 10 0 BCAERO CCn1cncc1C[N@@H+]1CC[C@H](CO)C1 ZINC000019578583 172233873 /nfs/dbraw/zinc/23/38/73/172233873.db2.gz QGCMQGKQLPISAO-JTQLQIEISA-N 1 0 209.293 0.717 10 0 BCAERO CCn1cnnc1[C@@H](C)N1CC[NH2+]CC1 ZINC000054497740 172240239 /nfs/dbraw/zinc/24/02/39/172240239.db2.gz XKDDNRASWKWTTE-SECBINFHSA-N 1 0 209.297 0.264 10 0 BCAERO CCn1nc(C(N)=O)c(=[NH2+])c2ccccc21 ZINC000039101909 172242512 /nfs/dbraw/zinc/24/25/12/172242512.db2.gz VGMHRZXXSPPSQB-UHFFFAOYSA-N 1 0 216.244 0.635 10 0 BCAERO CCn1nccc1CN1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000234208952 172268737 /nfs/dbraw/zinc/26/87/37/172268737.db2.gz GDNBOWCMEZUAFC-KOLCDFICSA-N 1 0 208.309 0.682 10 0 BCAERO CN(C(=O)C1CCOCC1)C(C)(C)C[NH3+] ZINC000082642622 172299178 /nfs/dbraw/zinc/29/91/78/172299178.db2.gz RXSUTNDEWRJDES-UHFFFAOYSA-N 1 0 214.309 0.609 10 0 BCAERO CN(C(=O)CC(F)(F)F)C1CC([NH3+])C1 ZINC000335656221 172301895 /nfs/dbraw/zinc/30/18/95/172301895.db2.gz KDEBNWPMXIDWFW-UHFFFAOYSA-N 1 0 210.199 0.887 10 0 BCAERO CN(C(=O)CCC[NH3+])C1CCOCC1 ZINC000036321033 172303828 /nfs/dbraw/zinc/30/38/28/172303828.db2.gz MQVBFRHQXXSQOO-UHFFFAOYSA-N 1 0 200.282 0.363 10 0 BCAERO CN(C(=O)[C@@H]1COc2ccccc2C1)C1C[NH2+]C1 ZINC000090289705 172328394 /nfs/dbraw/zinc/32/83/94/172328394.db2.gz HIGFUHYGDXICCQ-NSHDSACASA-N 1 0 246.310 0.668 10 0 BCAERO CN(C(=O)[C@H]1CC[NH2+]C1)[C@@H]1CCSC1 ZINC000062112739 172333484 /nfs/dbraw/zinc/33/34/84/172333484.db2.gz MDIINLQJYAEMAG-DTWKUNHWSA-N 1 0 214.334 0.560 10 0 BCAERO CN(C(=O)c1ccc(=O)oc1)[C@@H]1CCC[NH2+]C1 ZINC000104347057 172339012 /nfs/dbraw/zinc/33/90/12/172339012.db2.gz LZQLYBQIFFBQPY-SNVBAGLBSA-N 1 0 236.271 0.464 10 0 BCAERO CN(C(=O)c1ccc(O)cc1)[C@H]1CC[NH2+]C1 ZINC000037469748 172340554 /nfs/dbraw/zinc/34/05/54/172340554.db2.gz RORWAXYWNOAKIQ-JTQLQIEISA-N 1 0 220.272 0.826 10 0 BCAERO CN(C(=O)c1ccc2c(c1)COC2)C1C[NH2+]C1 ZINC000090289687 172341482 /nfs/dbraw/zinc/34/14/82/172341482.db2.gz AHMLOTZYEPEMPT-UHFFFAOYSA-N 1 0 232.283 0.761 10 0 BCAERO CN(C(=O)c1cscn1)C1CC[NH2+]CC1 ZINC000062358579 172347249 /nfs/dbraw/zinc/34/72/49/172347249.db2.gz RERVRWRCJZZACQ-UHFFFAOYSA-N 1 0 225.317 0.967 10 0 BCAERO CN(C)C(=O)CN1CCCC[C@H]1C[NH2+]C1CC1 ZINC000104422976 172366166 /nfs/dbraw/zinc/36/61/66/172366166.db2.gz OAECQEKDQNGYHO-LBPRGKRZSA-N 1 0 239.363 0.681 10 0 BCAERO CN(C)C(=O)C[N@@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000116320231 172366537 /nfs/dbraw/zinc/36/65/37/172366537.db2.gz PXLUDVSJQMONAV-SNVBAGLBSA-N 1 0 236.319 0.298 10 0 BCAERO CN(C)C(=O)C[NH2+]C[C@@H]1CCCCO1 ZINC000035151401 172369587 /nfs/dbraw/zinc/36/95/87/172369587.db2.gz BSYRBSXVIZWSTG-VIFPVBQESA-N 1 0 200.282 0.233 10 0 BCAERO CN(C)C(=O)C[NH2+]C1CCC2(CC1)OCCO2 ZINC000037225336 172369889 /nfs/dbraw/zinc/36/98/89/172369889.db2.gz DJVBRCBMJVRFSL-UHFFFAOYSA-N 1 0 242.319 0.350 10 0 BCAERO CN(C)C(=O)C[NH2+]C[C@@H]1CCCOC1 ZINC000038045954 172370293 /nfs/dbraw/zinc/37/02/93/172370293.db2.gz UVLGRKGRLOGDDC-VIFPVBQESA-N 1 0 200.282 0.091 10 0 BCAERO CN(C)C(=O)Oc1ccc[n+](C)c1CO ZINC000013472434 172382930 /nfs/dbraw/zinc/38/29/30/172382930.db2.gz RBBLNUFAGRBVRH-UHFFFAOYSA-N 1 0 211.241 0.064 10 0 BCAERO CN(C)C(=O)[C@H]1CCCN1c1cc(C[NH3+])ccn1 ZINC000036796712 172386281 /nfs/dbraw/zinc/38/62/81/172386281.db2.gz BJEWHQCODFVARV-LLVKDONJSA-N 1 0 248.330 0.597 10 0 BCAERO CN(C)C(=O)[C@H]1CCCN1C1CC[NH2+]CC1 ZINC000038042958 172386526 /nfs/dbraw/zinc/38/65/26/172386526.db2.gz BYUGZYAPZVCNAJ-LLVKDONJSA-N 1 0 225.336 0.291 10 0 BCAERO C[NH+](C)C(C)(C)CNC(=O)c1csc(N)n1 ZINC000055188511 172395074 /nfs/dbraw/zinc/39/50/74/172395074.db2.gz PCTFWFMUGKHWCZ-UHFFFAOYSA-N 1 0 242.348 0.795 10 0 BCAERO CN(C)C(C)(C)C[NH2+]CC(=O)N1CCCCC1 ZINC000049854934 172395749 /nfs/dbraw/zinc/39/57/49/172395749.db2.gz JUABPRPTCQMPGI-UHFFFAOYSA-N 1 0 241.379 0.929 10 0 BCAERO Cn1nncc1C(=O)N[C@H]1CC[C@@H]([NH+](C)C)C1 ZINC000337155782 172531048 /nfs/dbraw/zinc/53/10/48/172531048.db2.gz PCHLDHBMVWVMRJ-DTWKUNHWSA-N 1 0 237.307 0.028 10 0 BCAERO CN(C)[C@H]1CC2(CC[C@H]1[NH3+])OCCO2 ZINC000019261952 172535770 /nfs/dbraw/zinc/53/57/70/172535770.db2.gz XVWBBVXDELAVGX-BDAKNGLRSA-N 1 0 200.282 0.171 10 0 BCAERO CN(CC(=O)N(C)C1CC1)c1cc[nH+]cc1N ZINC000049305837 172603705 /nfs/dbraw/zinc/60/37/05/172603705.db2.gz HARVVJHUZDTZIE-UHFFFAOYSA-N 1 0 234.303 0.721 10 0 BCAERO CN(CC(=O)c1ccccn1)C[C@H]1CC[NH2+]C1 ZINC000095071279 172619878 /nfs/dbraw/zinc/61/98/78/172619878.db2.gz AOPFGJONRWMYND-NSHDSACASA-N 1 0 233.315 0.806 10 0 BCAERO COC[C@@H](C)C(=O)N1CCC(C[NH3+])CC1 ZINC000237154100 487625378 /nfs/dbraw/zinc/62/53/78/487625378.db2.gz RBBXZUBZFSTFJE-SECBINFHSA-N 1 0 214.309 0.466 10 0 BCAERO CN(CCO)C(=O)N[C@H]1CC[C@@H]([NH+](C)C)C1 ZINC000342102945 172750150 /nfs/dbraw/zinc/75/01/50/172750150.db2.gz UTUVZAWOQFQSHT-VHSXEESVSA-N 1 0 229.324 0.103 10 0 BCAERO CN(CCO)C(=O)[C@@H]1CCC[C@H](C[NH3+])C1 ZINC000055146547 172751444 /nfs/dbraw/zinc/75/14/44/172751444.db2.gz UDFYUDGUQRYBBD-VHSXEESVSA-N 1 0 214.309 0.202 10 0 BCAERO C[NH+]1CCC2(CC1)OC(=S)NC2=O ZINC000040449283 173003027 /nfs/dbraw/zinc/00/30/27/173003027.db2.gz MZWJDECISLKPDX-UHFFFAOYSA-N 1 0 200.263 0.722 10 0 BCAERO C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cccc(N)n1 ZINC000051071599 173004908 /nfs/dbraw/zinc/00/49/08/173004908.db2.gz CBERDBRCKCDVFK-SNVBAGLBSA-N 1 0 248.330 0.878 10 0 BCAERO CN1CCCC[C@@H]1C[NH2+]C(C)(C)CO ZINC000054240427 173005993 /nfs/dbraw/zinc/00/59/93/173005993.db2.gz KJLRIBCXJQBOQV-SNVBAGLBSA-N 1 0 200.326 0.831 10 0 BCAERO C[N@@H+]1CCCC[C@H]1CNC(=O)c1cccc(N)n1 ZINC000051071600 173009495 /nfs/dbraw/zinc/00/94/95/173009495.db2.gz CBERDBRCKCDVFK-JTQLQIEISA-N 1 0 248.330 0.878 10 0 BCAERO Cn1ccnc1CNC[C@@H]1CCCC[N@@H+]1C ZINC000044562610 173009792 /nfs/dbraw/zinc/00/97/92/173009792.db2.gz AGONLZHBOGAFBL-NSHDSACASA-N 1 0 222.336 0.994 10 0 BCAERO CN1CCCC[C@H]1C[NH2+][C@@H]1CCS(=O)(=O)C1 ZINC000044562191 173010042 /nfs/dbraw/zinc/01/00/42/173010042.db2.gz RBHNSQCBLRIBGQ-MNOVXSKESA-N 1 0 246.376 0.247 10 0 BCAERO CN1CCC[C@@H]([NH2+]C2CCS(=O)(=O)CC2)C1 ZINC000040672744 173020337 /nfs/dbraw/zinc/02/03/37/173020337.db2.gz AVILQYSDVJDEKN-LLVKDONJSA-N 1 0 246.376 0.247 10 0 BCAERO C[N@@H+]1CCC[C@@H](Nc2ncc(N)cn2)C1 ZINC000040715825 173023292 /nfs/dbraw/zinc/02/32/92/173023292.db2.gz QSUKGDXSMONCCX-SECBINFHSA-N 1 0 207.281 0.565 10 0 BCAERO Cn1nccc1[C@H]1[C@@H](C[NH3+])CCCN1C ZINC000164782869 173041463 /nfs/dbraw/zinc/04/14/63/173041463.db2.gz FLZFBJPUNPHGCU-MWLCHTKSSA-N 1 0 208.309 0.762 10 0 BCAERO C[N@@H+]1CCN(C(=O)CC(N)=S)CC1(C)C ZINC000082485125 173065583 /nfs/dbraw/zinc/06/55/83/173065583.db2.gz NJXQFMUOEQYGFP-UHFFFAOYSA-N 1 0 229.349 0.215 10 0 BCAERO C[NH+]1CCN(CCNc2ccccc2N)CC1 ZINC000037759569 173082993 /nfs/dbraw/zinc/08/29/93/173082993.db2.gz LSJRZEDIWKISPP-UHFFFAOYSA-N 1 0 234.347 0.928 10 0 BCAERO C[NH+]1CCN(CNC(=O)c2cccnc2)CC1 ZINC000022041243 173083462 /nfs/dbraw/zinc/08/34/62/173083462.db2.gz LEKLMQGQIOCIPL-UHFFFAOYSA-N 1 0 234.303 0.016 10 0 BCAERO CN1CCN(Nc2[nH+]cnc(Cl)c2N)CC1 ZINC000040571829 173092009 /nfs/dbraw/zinc/09/20/09/173092009.db2.gz FUMUSXVTTYHPLO-UHFFFAOYSA-N 1 0 242.714 0.287 10 0 BCAERO CN1CCN([C@@H](C[NH3+])c2ccccn2)CC1 ZINC000019385149 173092850 /nfs/dbraw/zinc/09/28/50/173092850.db2.gz DYBQAAHRLMQXJU-LBPRGKRZSA-N 1 0 220.320 0.329 10 0 BCAERO CN1CCO[C@@H](C[NH2+]Cc2ccc(CO)o2)C1 ZINC000090714872 173102862 /nfs/dbraw/zinc/10/28/62/173102862.db2.gz VVAWIOVFABZRGI-LBPRGKRZSA-N 1 0 240.303 0.192 10 0 BCAERO CN1CCO[C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]21 ZINC000248063286 173103127 /nfs/dbraw/zinc/10/31/27/173103127.db2.gz VGWYTSGVSBMQPC-ZIAGYGMSSA-N 1 0 247.342 0.987 10 0 BCAERO C[N@@H+]1CCO[C@@H]2CN(c3cccc(F)n3)C[C@H]21 ZINC000301650698 173104575 /nfs/dbraw/zinc/10/45/75/173104575.db2.gz JPSKSZYASTWNNI-NXEZZACHSA-N 1 0 237.278 0.740 10 0 BCAERO CN1CCO[C@H](C[NH2+]Cc2ccc(CO)o2)C1 ZINC000090714870 173106948 /nfs/dbraw/zinc/10/69/48/173106948.db2.gz VVAWIOVFABZRGI-GFCCVEGCSA-N 1 0 240.303 0.192 10 0 BCAERO Cn1cccc1C[NH2+]C[C@@H]1CN(C)CCO1 ZINC000082784138 173107742 /nfs/dbraw/zinc/10/77/42/173107742.db2.gz KOYPKBCUEWSENV-GFCCVEGCSA-N 1 0 223.320 0.445 10 0 BCAERO CN(C[C@@H]1CC[N@H+](C)C1)C(=O)c1cc[nH]c(=O)c1 ZINC000155344161 173111790 /nfs/dbraw/zinc/11/17/90/173111790.db2.gz GJQGUTHWYQRWIC-SNVBAGLBSA-N 1 0 249.314 0.399 10 0 BCAERO CN1CC[C@@H](N2CC[C@@H]([NH3+])C(C)(C)C2)C1=O ZINC000304303482 173120580 /nfs/dbraw/zinc/12/05/80/173120580.db2.gz PJNFZMYQYCLSHB-NXEZZACHSA-N 1 0 225.336 0.276 10 0 BCAERO C[N@@H+]1CC[C@@H](NC(=O)[C@H](N)c2ccccc2)C1 ZINC000042548928 173122049 /nfs/dbraw/zinc/12/20/49/173122049.db2.gz MHQPFQIZLXPWGJ-VXGBXAGGSA-N 1 0 233.315 0.507 10 0 BCAERO C[N@@H+]1CC[C@@H](NC(=O)c2cccc(N)c2)C1 ZINC000042543529 173123001 /nfs/dbraw/zinc/12/30/01/173123001.db2.gz SGIVCAMNJZIJHX-LLVKDONJSA-N 1 0 219.288 0.703 10 0 BCAERO CN1CC[C@@H]([NH2+]CC(=O)NC(C)(C)C)C1 ZINC000042547395 173123673 /nfs/dbraw/zinc/12/36/73/173123673.db2.gz ZKZRDLQXTZNYPI-SECBINFHSA-N 1 0 213.325 0.195 10 0 BCAERO C[N@@H+]1CC[C@@H](Nc2cccc(C(N)=O)c2)C1 ZINC000061984744 173125148 /nfs/dbraw/zinc/12/51/48/173125148.db2.gz DLRJYXTWFLZEKN-LLVKDONJSA-N 1 0 219.288 0.902 10 0 BCAERO CN(C[C@H]1CC[N@H+](C)C1)C(=O)c1cccc(N)n1 ZINC000071193133 173143423 /nfs/dbraw/zinc/14/34/23/173143423.db2.gz VRTFFULIIJLWTN-JTQLQIEISA-N 1 0 248.330 0.688 10 0 BCAERO C[N@@H+]1CC[C@H](CNCC(=O)N2CCCC2)C1 ZINC000037485082 173146459 /nfs/dbraw/zinc/14/64/59/173146459.db2.gz GUQGLRIPNVYVCP-LLVKDONJSA-N 1 0 225.336 0.150 10 0 BCAERO C[N@@H+]1CC[C@H](NC(=O)Cc2csc(N)n2)C1 ZINC000055273110 173150315 /nfs/dbraw/zinc/15/03/15/173150315.db2.gz KGNQXIHXPPKAQY-ZETCQYMHSA-N 1 0 240.332 0.088 10 0 BCAERO CN1CC[C@H]([NH2+]CCc2nnc3ccccn32)C1 ZINC000061984761 173153463 /nfs/dbraw/zinc/15/34/63/173153463.db2.gz JJARRXSYHLABGV-NSHDSACASA-N 1 0 245.330 0.566 10 0 BCAERO C[N@@H+]1CC[C@H](Nc2ccc(-n3cnnn3)cc2)C1 ZINC000061984709 173154862 /nfs/dbraw/zinc/15/48/62/173154862.db2.gz AQGOFMYNHNLCMJ-NSHDSACASA-N 1 0 244.302 0.778 10 0 BCAERO C[N@@H+]1CC[C@H](Nc2ccc(OCC(N)=O)cc2)C1 ZINC000061985904 173155464 /nfs/dbraw/zinc/15/54/64/173155464.db2.gz VWEYKSOADVFKCU-NSHDSACASA-N 1 0 249.314 0.667 10 0 BCAERO C[N@@H+]1CC[C@H](Nc2nccnc2C(N)=S)C1 ZINC000054397686 173156369 /nfs/dbraw/zinc/15/63/69/173156369.db2.gz BMYOZAWQHXTQDH-ZETCQYMHSA-N 1 0 237.332 0.227 10 0 BCAERO CN(Cc1cscn1)[C@@]1(C[NH3+])CCN(C)C1 ZINC000061990701 173162170 /nfs/dbraw/zinc/16/21/70/173162170.db2.gz ZLLSJQPSYCXJOG-LLVKDONJSA-N 1 0 240.376 0.608 10 0 BCAERO CN1CC[C@](CO)([NH2+]C2CCCCC2)C1 ZINC000061992081 173162371 /nfs/dbraw/zinc/16/23/71/173162371.db2.gz VMCOIUKZTZPXDE-LBPRGKRZSA-N 1 0 212.337 0.975 10 0 BCAERO C[N@@H+]1CC[C@]2(CCCN2c2ncno2)C1 ZINC000038586000 173164114 /nfs/dbraw/zinc/16/41/14/173164114.db2.gz SOQHPNYLNGYAEJ-SNVBAGLBSA-N 1 0 208.265 0.744 10 0 BCAERO CN1CCc2nc([C@H](O)C[NH3+])sc2C1 ZINC000076166558 173174183 /nfs/dbraw/zinc/17/41/83/173174183.db2.gz XXXKSWCJEQXQDD-SSDOTTSWSA-N 1 0 213.306 0.123 10 0 BCAERO CN1CCc2sc([C@H]([NH3+])CO)nc2C1 ZINC000076136130 173175864 /nfs/dbraw/zinc/17/58/64/173175864.db2.gz XFKKKICAOAFGQB-ZCFIWIBFSA-N 1 0 213.306 0.123 10 0 BCAERO CNC(=O)C1CCN([C@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000062948812 173224663 /nfs/dbraw/zinc/22/46/63/173224663.db2.gz LUPAQDIZXSVBQK-PWSUYJOCSA-N 1 0 239.363 0.585 10 0 BCAERO CNC(=O)CC[NH2+][C@H]1CCCC[C@H]1O ZINC000044993840 173261180 /nfs/dbraw/zinc/26/11/80/173261180.db2.gz QTEDICOMMXIZCH-DTWKUNHWSA-N 1 0 200.282 0.016 10 0 BCAERO CNC(=O)CN(C)C[C@H](C[NH3+])c1ccccc1 ZINC000035731457 173267837 /nfs/dbraw/zinc/26/78/37/173267837.db2.gz FSFPNFKFEMOLHA-LBPRGKRZSA-N 1 0 235.331 0.407 10 0 BCAERO CNC(=O)CN(CCC[NH3+])c1ccccc1C ZINC000036730459 173273427 /nfs/dbraw/zinc/27/34/27/173273427.db2.gz LONFYAQVNLALND-UHFFFAOYSA-N 1 0 235.331 0.896 10 0 BCAERO CNC(=O)CN1CCC[C@@H](C[NH2+]C(C)(C)C)C1 ZINC000104414729 173273680 /nfs/dbraw/zinc/27/36/80/173273680.db2.gz KWGLRNSVGYKJPJ-NSHDSACASA-N 1 0 241.379 0.833 10 0 BCAERO CNC(=O)C[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000151100583 173274890 /nfs/dbraw/zinc/27/48/90/173274890.db2.gz RFAGQRMYUGEJQF-LLVKDONJSA-N 1 0 248.330 0.561 10 0 BCAERO CNC(=O)C[NH2+][C@H]1CCCCC[C@@H]1O ZINC000037886445 173278566 /nfs/dbraw/zinc/27/85/66/173278566.db2.gz RHBBVSCINCMWSA-IUCAKERBSA-N 1 0 200.282 0.016 10 0 BCAERO CNC(=O)C[NH2+][C@H]1CCCc2c1cnn2C ZINC000037224645 173278724 /nfs/dbraw/zinc/27/87/24/173278724.db2.gz NHMLOCLIQLOKKS-VIFPVBQESA-N 1 0 222.292 0.133 10 0 BCAERO CNC(=O)COc1c(C)cc(C[NH3+])cc1C ZINC000020470763 173278815 /nfs/dbraw/zinc/27/88/15/173278815.db2.gz FURJMQRSRVOSAT-UHFFFAOYSA-N 1 0 222.288 0.887 10 0 BCAERO CNC(=O)COc1c(CC[NH3+])cccc1OC ZINC000037721610 173279102 /nfs/dbraw/zinc/27/91/02/173279102.db2.gz XLDOAYZOZDLJBV-UHFFFAOYSA-N 1 0 238.287 0.321 10 0 BCAERO CNC(=O)COc1ccc([C@@H](C)[NH3+])cc1OC ZINC000019263512 173279158 /nfs/dbraw/zinc/27/91/58/173279158.db2.gz PHZGPDHKTODAAQ-MRVPVSSYSA-N 1 0 238.287 0.840 10 0 BCAERO CNC(=O)[C@@H](C)N(C)c1cc[nH+]cc1N ZINC000042141452 173294170 /nfs/dbraw/zinc/29/41/70/173294170.db2.gz TZGYJWDIKRMWJD-SSDOTTSWSA-N 1 0 208.265 0.235 10 0 BCAERO CNC(=O)[C@@H](C)[NH2+]C1(CO)CCCC1 ZINC000053069637 173294797 /nfs/dbraw/zinc/29/47/97/173294797.db2.gz BWDVBFWGRUELGC-MRVPVSSYSA-N 1 0 200.282 0.016 10 0 BCAERO CNC(=O)[C@@H](C)[NH2+]CC(=O)N1CCCCCC1 ZINC000042570001 173295100 /nfs/dbraw/zinc/29/51/00/173295100.db2.gz ZJHZTEZKNGRLQJ-SNVBAGLBSA-N 1 0 241.335 0.113 10 0 BCAERO CNC(=O)[C@@H](C)Oc1ccc(C[NH3+])cc1OC ZINC000020387185 173296197 /nfs/dbraw/zinc/29/61/97/173296197.db2.gz XAKDYFIQMUYBMS-MRVPVSSYSA-N 1 0 238.287 0.667 10 0 BCAERO CNC(=O)[C@H](C)NC(=O)[C@@H]1[C@H](C)CCC[C@@H]1[NH3+] ZINC000055140575 173302257 /nfs/dbraw/zinc/30/22/57/173302257.db2.gz VSLOCOSZDHCNQX-XFWSIPNHSA-N 1 0 241.335 0.001 10 0 BCAERO CNC(=O)[C@H](C)[NH2+][C@H](C)c1cn(C)nc1C ZINC000083569616 173303708 /nfs/dbraw/zinc/30/37/08/173303708.db2.gz XUOBPAKAQIAYQJ-APPZFPTMSA-N 1 0 224.308 0.514 10 0 BCAERO CNC(=O)[C@H](CC(C)C)NC(=O)C[NH2+]C1CC1 ZINC000037609212 173304643 /nfs/dbraw/zinc/30/46/43/173304643.db2.gz QNZWKMJFORBARY-JTQLQIEISA-N 1 0 241.335 0.015 10 0 BCAERO CNC(=O)[C@H]1CCCCN1C(=O)C(C)(C)[NH2+]C ZINC000061317271 173305908 /nfs/dbraw/zinc/30/59/08/173305908.db2.gz NAUDFSPDXDFLTA-SECBINFHSA-N 1 0 241.335 0.112 10 0 BCAERO CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1N ZINC000042391092 173307356 /nfs/dbraw/zinc/30/73/56/173307356.db2.gz VKQFIDTYYOWTJF-GFCCVEGCSA-N 1 0 233.315 0.979 10 0 BCAERO CNC(=O)c1cc(N(CCC[NH3+])C2CC2)ccn1 ZINC000035673622 173309388 /nfs/dbraw/zinc/30/93/88/173309388.db2.gz HRAIURMPUCWQRR-UHFFFAOYSA-N 1 0 248.330 0.759 10 0 BCAERO CNC(=O)c1ccc(CNC2CC[NH2+]CC2)cc1 ZINC000038040614 173310614 /nfs/dbraw/zinc/31/06/14/173310614.db2.gz DPCOFUHERNKADW-UHFFFAOYSA-N 1 0 247.342 0.888 10 0 BCAERO CNC(=O)c1ccc(NC(=O)[C@H]2CCC[NH2+]2)cc1 ZINC000035053834 173310839 /nfs/dbraw/zinc/31/08/39/173310839.db2.gz ALIZIZCWJRPFIY-LLVKDONJSA-N 1 0 247.298 0.737 10 0 BCAERO CNC(=O)c1ccc(N[C@@H]2CCC[C@@H]2C[NH3+])nn1 ZINC000095013499 173311243 /nfs/dbraw/zinc/31/12/43/173311243.db2.gz FPOXXBMOZBHTPO-RKDXNWHRSA-N 1 0 249.318 0.376 10 0 BCAERO CNC(=O)c1ccc(N[C@H]2CCC[NH2+][C@H]2C)nn1 ZINC000229607714 173311247 /nfs/dbraw/zinc/31/12/47/173311247.db2.gz PUAHNPTUNJGUER-IUCAKERBSA-N 1 0 249.318 0.389 10 0 BCAERO CNC(=O)c1cnc(C[NH3+])c(OC2CC2)c1 ZINC000095738207 173312964 /nfs/dbraw/zinc/31/29/64/173312964.db2.gz ZUFHAMYNWVLGLV-UHFFFAOYSA-N 1 0 221.260 0.441 10 0 BCAERO CNC(=O)c1cncc(C[NH3+])c1OC1CC1 ZINC000095738138 173314285 /nfs/dbraw/zinc/31/42/85/173314285.db2.gz MNIHMTDDANUDOQ-UHFFFAOYSA-N 1 0 221.260 0.441 10 0 BCAERO C[NH2+]C(C)(C)C(=O)N1CCC(CO)CC1 ZINC000061300355 173317878 /nfs/dbraw/zinc/31/78/78/173317878.db2.gz PVZWPNPHZRMTJT-UHFFFAOYSA-N 1 0 214.309 0.215 10 0 BCAERO C[NH2+]C(C)(C)C(=O)N1CCN(C2CC2)CC1 ZINC000061317741 173318196 /nfs/dbraw/zinc/31/81/96/173318196.db2.gz MGLWGSIEMNMTMH-UHFFFAOYSA-N 1 0 225.336 0.291 10 0 BCAERO C[NH2+]C(C)(C)C(=O)N1CCc2ncccc2C1 ZINC000061316556 173318255 /nfs/dbraw/zinc/31/82/55/173318255.db2.gz IBBCNSIFYQFYFI-UHFFFAOYSA-N 1 0 233.315 0.964 10 0 BCAERO C[NH2+]C(C)(C)C(=O)NC1CCOCC1 ZINC000061300551 173318416 /nfs/dbraw/zinc/31/84/16/173318416.db2.gz ZZBTUAKOYXOTCN-UHFFFAOYSA-N 1 0 200.282 0.280 10 0 BCAERO C[NH2+]C(C)(C)C(=O)N1CCOC[C@H]1C ZINC000061300464 173318436 /nfs/dbraw/zinc/31/84/36/173318436.db2.gz AMXCRFRFCBQCKR-MRVPVSSYSA-N 1 0 200.282 0.232 10 0 BCAERO C[NH2+]C(C)(C)C(=O)N[C@H]1CCC[C@H](O)C1 ZINC000061300595 173318474 /nfs/dbraw/zinc/31/84/74/173318474.db2.gz RLUVNRKXBXNZFH-IUCAKERBSA-N 1 0 214.309 0.404 10 0 BCAERO C[NH2+]C1CCC(N2CCCS2(=O)=O)CC1 ZINC000036880993 173322066 /nfs/dbraw/zinc/32/20/66/173322066.db2.gz QXKOGBXICJCPAH-UHFFFAOYSA-N 1 0 232.349 0.553 10 0 BCAERO C[NH2+]C1CCN(CC(=O)c2cnccn2)CC1 ZINC000095071517 173323449 /nfs/dbraw/zinc/32/34/49/173323449.db2.gz BMBZJIDLWIPNLU-UHFFFAOYSA-N 1 0 234.303 0.343 10 0 BCAERO C[NH2+]C1C[C@H]2CC[C@@H](C1)N2CC(=O)OC ZINC000054626516 173324162 /nfs/dbraw/zinc/32/41/62/173324162.db2.gz YFSCCIBOIDELEI-PBINXNQUSA-N 1 0 212.293 0.374 10 0 BCAERO C[NH2+]CC(=O)N(Cc1cccnc1)C1CC1 ZINC000037801744 173324921 /nfs/dbraw/zinc/32/49/21/173324921.db2.gz DFYNBLSGMBYBPJ-UHFFFAOYSA-N 1 0 219.288 0.792 10 0 BCAERO C[NH2+]CC(=O)N[C@@H](C)Cc1ccccc1OC ZINC000037767761 173329921 /nfs/dbraw/zinc/32/99/21/173329921.db2.gz HRABZJQYQCMTDW-JTQLQIEISA-N 1 0 236.315 0.962 10 0 BCAERO C[NH2+]CC(=O)N[C@H](C)CCc1ccco1 ZINC000040824891 173331989 /nfs/dbraw/zinc/33/19/89/173331989.db2.gz BPPNOGUWBMSOEU-SECBINFHSA-N 1 0 210.277 0.936 10 0 BCAERO C[NH2+]CC(=O)N[C@H](C)Cc1ccccc1OC ZINC000037767762 173332828 /nfs/dbraw/zinc/33/28/28/173332828.db2.gz HRABZJQYQCMTDW-SNVBAGLBSA-N 1 0 236.315 0.962 10 0 BCAERO C[NH2+]CC1([C@@H]2CCS(=O)(=O)C2)CCOCC1 ZINC000061674048 173337504 /nfs/dbraw/zinc/33/75/04/173337504.db2.gz BDNBOSTTWLFWIH-SNVBAGLBSA-N 1 0 247.360 0.437 10 0 BCAERO C[NH2+]CC1CCN(Cc2nnc(C)n2C)CC1 ZINC000063166078 173338812 /nfs/dbraw/zinc/33/88/12/173338812.db2.gz CJQJNACOFCQZDS-UHFFFAOYSA-N 1 0 237.351 0.555 10 0 BCAERO C[NH2+]CCCC(=O)N1CCO[C@H](C)C1 ZINC000037477493 173344076 /nfs/dbraw/zinc/34/40/76/173344076.db2.gz HYISXRBDEYYJSH-SECBINFHSA-N 1 0 200.282 0.233 10 0 BCAERO C[NH2+]CCCC(=O)NCC[S@](=O)C(C)(C)C ZINC000237166940 173344356 /nfs/dbraw/zinc/34/43/56/173344356.db2.gz RMOWIKREFSODFZ-INIZCTEOSA-N 1 0 248.392 0.649 10 0 BCAERO C[NH2+]CCCCCC(=O)N1CCN(C)CC1 ZINC000077341751 173345036 /nfs/dbraw/zinc/34/50/36/173345036.db2.gz WGDCURRRMAGPDT-UHFFFAOYSA-N 1 0 227.352 0.540 10 0 BCAERO C[NH2+]CCCN(C(C)C)S(C)(=O)=O ZINC000076584620 173346383 /nfs/dbraw/zinc/34/63/83/173346383.db2.gz ZLWKWWLXBGCWPC-UHFFFAOYSA-N 1 0 208.327 0.266 10 0 BCAERO C[NH2+]CCN(C)c1ccc2[nH]c(=O)oc2c1 ZINC000077332082 173354071 /nfs/dbraw/zinc/35/40/71/173354071.db2.gz TVYKQEVAYCXEAE-UHFFFAOYSA-N 1 0 221.260 0.777 10 0 BCAERO C[NH2+]CCNC(=O)c1cc(=O)[nH]c2ccccc21 ZINC000054244218 173355115 /nfs/dbraw/zinc/35/51/15/173355115.db2.gz YJDRQGLLNVSUOS-UHFFFAOYSA-N 1 0 245.282 0.477 10 0 BCAERO C[NH2+]CCOCc1ccc(S(C)(=O)=O)cc1 ZINC000077393886 173356905 /nfs/dbraw/zinc/35/69/05/173356905.db2.gz PZVVFIOCIZHAGL-UHFFFAOYSA-N 1 0 243.328 0.826 10 0 BCAERO C[NH2+]CCNc1nc2c(cc1C(N)=O)CCC2 ZINC000054244741 173356926 /nfs/dbraw/zinc/35/69/26/173356926.db2.gz PJLWAEDLGSUSQI-UHFFFAOYSA-N 1 0 234.303 0.301 10 0 BCAERO C[NH2+]CCOCC(=O)Nc1ccc(OC)cc1 ZINC000051841540 173357140 /nfs/dbraw/zinc/35/71/40/173357140.db2.gz LRPPBXGDRPRJIW-UHFFFAOYSA-N 1 0 238.287 0.870 10 0 BCAERO C[NH2+]CCOCCc1ccc2[nH]c(=O)[nH]c2c1 ZINC000077370929 173357192 /nfs/dbraw/zinc/35/71/92/173357192.db2.gz JEZMLANMESQPOD-UHFFFAOYSA-N 1 0 235.287 0.635 10 0 BCAERO C[NH2+]CCc1c(C)nc(N(C)C)nc1C ZINC000054838101 173359554 /nfs/dbraw/zinc/35/95/54/173359554.db2.gz UKDCSVQQQAIWDG-UHFFFAOYSA-N 1 0 208.309 0.921 10 0 BCAERO C[NH2+]C[C@@H](C)CN1CCOCC1(C)C ZINC000052546056 173363829 /nfs/dbraw/zinc/36/38/29/173363829.db2.gz GIOBVNNNENJJPS-SNVBAGLBSA-N 1 0 200.326 0.953 10 0 BCAERO C[NH2+]C[C@@H](O)CNC(=O)OC(C)(C)C ZINC000118539630 173365225 /nfs/dbraw/zinc/36/52/25/173365225.db2.gz PFBXYIOWRYJKIW-SSDOTTSWSA-N 1 0 204.270 0.091 10 0 BCAERO C[NH2+]C[C@@H](O)Cc1ccc(OC)cc1OC ZINC000041245676 173365571 /nfs/dbraw/zinc/36/55/71/173365571.db2.gz SPRKQHBAVHUWMB-JTQLQIEISA-N 1 0 225.288 0.827 10 0 BCAERO C[NH2+]C[C@@H](O)c1cc(OC)c(OC)cc1OC ZINC000036155151 173365870 /nfs/dbraw/zinc/36/58/70/173365870.db2.gz KDIDMYSPVFSUGD-SECBINFHSA-N 1 0 241.287 0.965 10 0 BCAERO C[NH2+]C[C@@H](O)c1ccc2c(c1)OCCO2 ZINC000011802978 173366217 /nfs/dbraw/zinc/36/62/17/173366217.db2.gz KUPREXZKKJHDQQ-SECBINFHSA-N 1 0 209.245 0.711 10 0 BCAERO C[NH2+]C[C@@H]1CCCN1Cc1ncccn1 ZINC000054460283 173369450 /nfs/dbraw/zinc/36/94/50/173369450.db2.gz FPFDNECBUFGOPO-JTQLQIEISA-N 1 0 206.293 0.660 10 0 BCAERO C[NH2+]C[C@@H]1CCN(c2cnn(CCOC)c2)C1 ZINC000053032433 173370263 /nfs/dbraw/zinc/37/02/63/173370263.db2.gz MDGUDOKIISQYNP-NSHDSACASA-N 1 0 238.335 0.575 10 0 BCAERO C[NH2+]C[C@@H]1CC[C@@H](Cn2cc(C)cn2)O1 ZINC000052576976 173371374 /nfs/dbraw/zinc/37/13/74/173371374.db2.gz BAQQKCNECSNFHH-QWRGUYRKSA-N 1 0 209.293 0.959 10 0 BCAERO C[NH2+]C[C@@H]1CC[C@H](Cn2ccnc2C)O1 ZINC000052576179 173372067 /nfs/dbraw/zinc/37/20/67/173372067.db2.gz PRPKSSOFHFBZNH-WDEREUQCSA-N 1 0 209.293 0.959 10 0 BCAERO C[NH2+]C[C@@]1([C@H]2CCS(=O)(=O)C2)CCCOC1 ZINC000062193607 173372955 /nfs/dbraw/zinc/37/29/55/173372955.db2.gz WJBSWTHBOHCEBU-QWRGUYRKSA-N 1 0 247.360 0.437 10 0 BCAERO C[NH2+]C[C@H](C)C(=O)NCC[S@](=O)C(C)(C)C ZINC000237319531 173373830 /nfs/dbraw/zinc/37/38/30/173373830.db2.gz ILRPTVZJGKMWDV-FVMDXXJSSA-N 1 0 248.392 0.505 10 0 BCAERO C[NH2+]C[C@H](C)C(=O)NCC[S@@](=O)C(C)(C)C ZINC000237319477 173374320 /nfs/dbraw/zinc/37/43/20/173374320.db2.gz ILRPTVZJGKMWDV-XXFAHNHDSA-N 1 0 248.392 0.505 10 0 BCAERO C[NH2+]C[C@H](C)CN1CCOCC1(C)C ZINC000052546055 173375232 /nfs/dbraw/zinc/37/52/32/173375232.db2.gz GIOBVNNNENJJPS-JTQLQIEISA-N 1 0 200.326 0.953 10 0 BCAERO C[NH2+]C[C@H](C)CN1CCOC(C)(C)C1 ZINC000052481754 173375453 /nfs/dbraw/zinc/37/54/53/173375453.db2.gz QUVHBUBKCBBZAS-JTQLQIEISA-N 1 0 200.326 0.953 10 0 BCAERO C[NH2+]C[C@H](O)CN1CCc2ccccc21 ZINC000019685157 173376488 /nfs/dbraw/zinc/37/64/88/173376488.db2.gz BFXFXCYFUKYWHS-NSHDSACASA-N 1 0 206.289 0.629 10 0 BCAERO C[NH2+]C[C@H](O)CNC(=O)OC(C)(C)C ZINC000118539633 173376632 /nfs/dbraw/zinc/37/66/32/173376632.db2.gz PFBXYIOWRYJKIW-ZETCQYMHSA-N 1 0 204.270 0.091 10 0 BCAERO C[NH2+]C[C@H](O)c1cc(O)c(OC)c(O)c1 ZINC000039097344 173376643 /nfs/dbraw/zinc/37/66/43/173376643.db2.gz WOXQOAKTKVVXQH-VIFPVBQESA-N 1 0 213.233 0.359 10 0 BCAERO C[NH2+]C[C@H](O)COCCOc1ccccc1 ZINC000019864888 173376723 /nfs/dbraw/zinc/37/67/23/173376723.db2.gz GSJDHUVPRPSVHE-NSHDSACASA-N 1 0 225.288 0.662 10 0 BCAERO C[NH2+]C[C@H](O)COc1ccccc1NC(C)=O ZINC000019864842 173376987 /nfs/dbraw/zinc/37/69/87/173376987.db2.gz SPDSACVWKKYHKW-JTQLQIEISA-N 1 0 238.287 0.604 10 0 BCAERO C[NH2+]C[C@H](O)c1ccc2c(c1)OCCO2 ZINC000011802980 173377259 /nfs/dbraw/zinc/37/72/59/173377259.db2.gz KUPREXZKKJHDQQ-VIFPVBQESA-N 1 0 209.245 0.711 10 0 BCAERO C[NH2+]C[C@H](c1cccnc1)N1CCOCC1 ZINC000023292480 173377902 /nfs/dbraw/zinc/37/79/02/173377902.db2.gz FXECCSGVHLYOKI-GFCCVEGCSA-N 1 0 221.304 0.674 10 0 BCAERO C[NH2+]C[C@H]1CCCCN1CC[C@H](C)O ZINC000134118789 173378104 /nfs/dbraw/zinc/37/81/04/173378104.db2.gz LXUJQOCAZGQSBH-WDEREUQCSA-N 1 0 200.326 0.831 10 0 BCAERO C[NH2+]C[C@H]1CCCN(C(=O)NC2CC2)C1 ZINC000054457669 173378630 /nfs/dbraw/zinc/37/86/30/173378630.db2.gz VZWWXVHHLOPRPE-SECBINFHSA-N 1 0 211.309 0.790 10 0 BCAERO C[NH2+]C[C@H]1CCCN1c1nccc(C)n1 ZINC000061860012 173380629 /nfs/dbraw/zinc/38/06/29/173380629.db2.gz NTLDRDZCPIPNNJ-SNVBAGLBSA-N 1 0 206.293 0.973 10 0 BCAERO C[NH2+]C[C@H]1C[C@@H](F)CN1Cc1cncnc1 ZINC000238853713 173382412 /nfs/dbraw/zinc/38/24/12/173382412.db2.gz KKZLKEYDXCNGEW-GHMZBOCLSA-N 1 0 224.283 0.608 10 0 BCAERO C[NH2+]C[C@H]1CC[C@H](CN2CCOCC2)O1 ZINC000052377916 173382926 /nfs/dbraw/zinc/38/29/26/173382926.db2.gz ATRRECAGFPPINA-GHMZBOCLSA-N 1 0 214.309 0.086 10 0 BCAERO C[NH2+]Cc1c(N(C)C[C@@H](C)O)nc2ccccn21 ZINC000060392838 173385231 /nfs/dbraw/zinc/38/52/31/173385231.db2.gz UYAKQBIWPGDCAN-SNVBAGLBSA-N 1 0 248.330 0.871 10 0 BCAERO C[NH2+]Cc1c(C)nn(Cc2ncon2)c1C ZINC000036868500 173385388 /nfs/dbraw/zinc/38/53/88/173385388.db2.gz UUOQQHBLRJIIHX-UHFFFAOYSA-N 1 0 221.264 0.651 10 0 BCAERO C[NH2+]Cc1cc(Cn2nc(C)nc2C)on1 ZINC000052574388 173386554 /nfs/dbraw/zinc/38/65/54/173386554.db2.gz HCRDSGHRWXLIMM-UHFFFAOYSA-N 1 0 221.264 0.651 10 0 BCAERO C[NH2+]Cc1cc(Cn2cncn2)oc1C ZINC000052575077 173387016 /nfs/dbraw/zinc/38/70/16/173387016.db2.gz LARNDTQVHRDERN-UHFFFAOYSA-N 1 0 206.249 0.947 10 0 BCAERO C[NH2+]Cc1ccc(-n2nc(C)cc2C)nn1 ZINC000051490748 173388526 /nfs/dbraw/zinc/38/85/26/173388526.db2.gz HKYXHLVLVVTQPZ-UHFFFAOYSA-N 1 0 217.276 0.999 10 0 BCAERO C[NH2+]Cc1cccc(NC(=O)c2nc[nH]n2)c1 ZINC000104336889 173389901 /nfs/dbraw/zinc/38/99/01/173389901.db2.gz KEHNNFKOBZFDTH-UHFFFAOYSA-N 1 0 231.259 0.776 10 0 BCAERO C[NH2+]Cc1ccnc(-c2cnccn2)n1 ZINC000054791205 173391484 /nfs/dbraw/zinc/39/14/84/173391484.db2.gz PPAURYKRFGLBOT-UHFFFAOYSA-N 1 0 201.233 0.653 10 0 BCAERO C[NH2+]Cc1cnn(-c2ccccc2OC)n1 ZINC000062606227 173393520 /nfs/dbraw/zinc/39/35/20/173393520.db2.gz MQKRBCBZXBOKBB-UHFFFAOYSA-N 1 0 218.260 0.995 10 0 BCAERO C[NH2+]Cc1nnnn1Cc1cccs1 ZINC000054745616 173399048 /nfs/dbraw/zinc/39/90/48/173399048.db2.gz ARJIPILDHPROOE-UHFFFAOYSA-N 1 0 209.278 0.502 10 0 BCAERO C[NH2+][C@@H](C)C(=O)Nc1ccc2c(c1)C(=O)NC2=O ZINC000054071829 173413283 /nfs/dbraw/zinc/41/32/83/173413283.db2.gz KQMAPOPOQKQJTR-LURJTMIESA-N 1 0 247.254 0.117 10 0 BCAERO C[NH2+][C@@H](C)CCCn1nc2n(c1=O)CCCC2 ZINC000061817479 173414811 /nfs/dbraw/zinc/41/48/11/173414811.db2.gz LMGXFFZDQACISP-JTQLQIEISA-N 1 0 238.335 0.769 10 0 BCAERO C[NH2+][C@@H](CO)COc1ccc(OC)cc1 ZINC000071518191 173424300 /nfs/dbraw/zinc/42/43/00/173424300.db2.gz MJIDWWLOUJPTON-VIFPVBQESA-N 1 0 211.261 0.654 10 0 BCAERO C[NH2+][C@H](c1cccnc1)[C@@H]1CCS(=O)(=O)C1 ZINC000043300601 173457659 /nfs/dbraw/zinc/45/76/59/173457659.db2.gz RYOXPHQIXTXCEY-GHMZBOCLSA-N 1 0 240.328 0.777 10 0 BCAERO COC(=O)C1(N2CCC[NH2+]CC2)CCOCC1 ZINC000037959491 173511610 /nfs/dbraw/zinc/51/16/10/173511610.db2.gz SEQUJBFSTDJBDE-UHFFFAOYSA-N 1 0 242.319 0.004 10 0 BCAERO COC(=O)CCc1csc(CC[NH3+])n1 ZINC000049815665 173568006 /nfs/dbraw/zinc/56/80/06/173568006.db2.gz LWAFLUGANAMRQU-UHFFFAOYSA-N 1 0 214.290 0.750 10 0 BCAERO COC(=O)CNC(=O)[C@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000048246390 173601700 /nfs/dbraw/zinc/60/17/00/173601700.db2.gz ILTSFSXTQDWTEX-KXUCPTDWSA-N 1 0 240.303 0.196 10 0 BCAERO COC(=O)C[C@@H]1C[C@@H]2[C@H](CCC[C@H]2[NH3+])O1 ZINC000082162635 173629852 /nfs/dbraw/zinc/62/98/52/173629852.db2.gz KKGAEERCEJJJSE-QEYWKRMJSA-N 1 0 213.277 0.834 10 0 BCAERO COC(=O)[C@@H](C)C[N@H+](CC(N)=O)C1CCCC1 ZINC000042429959 173671749 /nfs/dbraw/zinc/67/17/49/173671749.db2.gz PBPCEYDQYGTLQO-VIFPVBQESA-N 1 0 242.319 0.525 10 0 BCAERO COC(=O)[C@@H]([NH3+])[C@H]1CCC[C@H](OC)C1 ZINC000069553367 173706618 /nfs/dbraw/zinc/70/66/18/173706618.db2.gz CDLZCXGMABRRCJ-CIUDSAMLSA-N 1 0 201.266 0.692 10 0 BCAERO COC(=O)[C@](C)(c1ccccn1)N1CC[NH2+]CC1 ZINC000037963705 173834525 /nfs/dbraw/zinc/83/45/25/173834525.db2.gz IRJZMXDGBSYSJJ-ZDUSSCGKSA-N 1 0 249.314 0.375 10 0 BCAERO COC(=O)c1cc(CC[NH3+])nc(OC)c1 ZINC000095767689 173854032 /nfs/dbraw/zinc/85/40/32/173854032.db2.gz KGZNPKLEUUFSMY-UHFFFAOYSA-N 1 0 210.233 0.378 10 0 BCAERO COC(=O)c1cccnc1O[C@H]1CC[NH2+]C1 ZINC000051868711 173903117 /nfs/dbraw/zinc/90/31/17/173903117.db2.gz JCTGEFOBHSYYRH-QMMMGPOBSA-N 1 0 222.244 0.609 10 0 BCAERO COC(OC)[C@H](C[NH3+])Cc1ccccn1 ZINC000019729763 173965849 /nfs/dbraw/zinc/96/58/49/173965849.db2.gz FGAWOVCTHFAWAV-VIFPVBQESA-N 1 0 210.277 0.818 10 0 BCAERO COC1CC[NH+](C[C@]2(CO)CCCOC2)CC1 ZINC000104326631 174027866 /nfs/dbraw/zinc/02/78/66/174027866.db2.gz YPIUQAWAYRPJLF-ZDUSSCGKSA-N 1 0 243.347 0.886 10 0 BCAERO COC1CC[NH+](C[C@@]2(C[NH3+])CCOC2)CC1 ZINC000051216242 174027900 /nfs/dbraw/zinc/02/79/00/174027900.db2.gz ZLVZBZLGOXROJY-LBPRGKRZSA-N 1 0 228.336 0.463 10 0 BCAERO COC1CCN([C@H]2COCC[C@@H]2[NH3+])CC1 ZINC000036305437 174032493 /nfs/dbraw/zinc/03/24/93/174032493.db2.gz RZUNKHXYYRBPSP-QWRGUYRKSA-N 1 0 214.309 0.213 10 0 BCAERO COCC(C)(C)NC(=O)[C@H](C)C1C[NH2+]C1 ZINC000129379692 174081502 /nfs/dbraw/zinc/08/15/02/174081502.db2.gz LOZHRDMNYSUVOO-MRVPVSSYSA-N 1 0 214.309 0.383 10 0 BCAERO COCC1(C[N@@H+]2C[C@@H](O)C[C@@H]2CO)CCC1 ZINC000361328526 174100007 /nfs/dbraw/zinc/10/00/07/174100007.db2.gz MZOYVCCQLSCXRY-MNOVXSKESA-N 1 0 229.320 0.231 10 0 BCAERO COCCC(=O)N1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000053731831 174124248 /nfs/dbraw/zinc/12/42/48/174124248.db2.gz XPPOUSJHFPISMD-MNOVXSKESA-N 1 0 226.320 0.766 10 0 BCAERO COCCC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000113222255 174127741 /nfs/dbraw/zinc/12/77/41/174127741.db2.gz ATKSMEHLHBPSKM-GHMZBOCLSA-N 1 0 226.320 0.718 10 0 BCAERO COCCC(=O)N[C@H](C[NH3+])Cc1ccccc1 ZINC000104303038 174134521 /nfs/dbraw/zinc/13/45/21/174134521.db2.gz YFMOTBHTIZNVDL-LBPRGKRZSA-N 1 0 236.315 0.709 10 0 BCAERO COCCC[N@H+](CCOC)CC(C)(C)O ZINC000042424364 174224232 /nfs/dbraw/zinc/22/42/32/174224232.db2.gz HRIDMQYTZGASGX-UHFFFAOYSA-N 1 0 219.325 0.742 10 0 BCAERO COCCC[N@H+](CCOC)C[C@@H](C)C(=O)OC ZINC000042423145 174224695 /nfs/dbraw/zinc/22/46/95/174224695.db2.gz GEKXWDPZIXVZPL-LLVKDONJSA-N 1 0 247.335 0.780 10 0 BCAERO COCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000051591342 174228630 /nfs/dbraw/zinc/22/86/30/174228630.db2.gz LZVYOOFDGHHSMP-SNVBAGLBSA-N 1 0 214.309 0.576 10 0 BCAERO COCCCNC(=[NH2+])Cc1csc(N)n1 ZINC000026470203 174234563 /nfs/dbraw/zinc/23/45/63/174234563.db2.gz PSBZQJRXBONBSJ-UHFFFAOYSA-N 1 0 228.321 0.871 10 0 BCAERO COCCCNC(=O)[C@@H](C)[NH2+]CC(C)C ZINC000034938738 174243315 /nfs/dbraw/zinc/24/33/15/174243315.db2.gz OOTGOWUHRNWQJR-SNVBAGLBSA-N 1 0 216.325 0.773 10 0 BCAERO COCCCNC(=O)[C@H](C)[NH2+]C[C@@H]1CCCO1 ZINC000034938635 174244401 /nfs/dbraw/zinc/24/44/01/174244401.db2.gz SOKQXOWTPLHGFT-QWRGUYRKSA-N 1 0 244.335 0.296 10 0 BCAERO COCCC[NH2+]Cc1cc(=O)n2ccccc2n1 ZINC000048654959 174247226 /nfs/dbraw/zinc/24/72/26/174247226.db2.gz SXENVXWDOISFJE-UHFFFAOYSA-N 1 0 247.298 0.821 10 0 BCAERO COCCN(C(=O)[C@@H]([NH3+])C(C)C)[C@H](C)COC ZINC000042610150 174268399 /nfs/dbraw/zinc/26/83/99/174268399.db2.gz YUPFVGZPBAKWPD-MNOVXSKESA-N 1 0 246.351 0.480 10 0 BCAERO CC(C)(C)[C@H](O)C[NH2+]C[C@H](O)Cn1cccn1 ZINC000324538418 487628324 /nfs/dbraw/zinc/62/83/24/487628324.db2.gz REDZKEWPNIBXCA-WDEREUQCSA-N 1 0 241.335 0.241 10 0 BCAERO COCCN(C)C(=O)[C@H]1CCCC[C@H]1[NH3+] ZINC000055090703 174272750 /nfs/dbraw/zinc/27/27/50/174272750.db2.gz ADMFLZGHUMUNQW-VHSXEESVSA-N 1 0 214.309 0.609 10 0 BCAERO COCCN(C)CC[NH2+]CCn1ccnc1C ZINC000061378313 174277654 /nfs/dbraw/zinc/27/76/54/174277654.db2.gz ZRXNYDNXNPYEEF-UHFFFAOYSA-N 1 0 240.351 0.359 10 0 BCAERO COCCN([C@H](C[NH3+])c1cnn(C)c1)C1CC1 ZINC000042517907 174284590 /nfs/dbraw/zinc/28/45/90/174284590.db2.gz BBVINVFHBDTKBE-GFCCVEGCSA-N 1 0 238.335 0.531 10 0 BCAERO COCCN(CCC[NH3+])c1nc(C)cnc1C ZINC000071223779 174290502 /nfs/dbraw/zinc/29/05/02/174290502.db2.gz SNVKKIMMCKUZKH-UHFFFAOYSA-N 1 0 238.335 0.895 10 0 BCAERO COCCN(CC[NH2+]C[C@H]1CCCO1)C1CC1 ZINC000053433551 174292211 /nfs/dbraw/zinc/29/22/11/174292211.db2.gz DPKZAYHEWHTKAJ-CYBMUJFWSA-N 1 0 242.363 0.866 10 0 BCAERO COCC[NH+](CCOC)CCC(N)=S ZINC000088407248 174296261 /nfs/dbraw/zinc/29/62/61/174296261.db2.gz DCNINNSUOYTRPP-UHFFFAOYSA-N 1 0 220.338 0.257 10 0 BCAERO COCCN(CCOC)CC[C@@H]1CCC[NH2+]1 ZINC000042443016 174296382 /nfs/dbraw/zinc/29/63/82/174296382.db2.gz TUGBBSKLSDMTFW-LBPRGKRZSA-N 1 0 230.352 0.723 10 0 BCAERO COCCN1CC[C@H]([NH2+][C@@H]2CCO[C@@H]2C)C1 ZINC000348153324 174314740 /nfs/dbraw/zinc/31/47/40/174314740.db2.gz SKZDZWZBBPYAHC-GRYCIOLGSA-N 1 0 228.336 0.474 10 0 BCAERO COCCN1C[C@H](C)[NH2+]C[C@H]1C(C)C ZINC000062568685 174318793 /nfs/dbraw/zinc/31/87/93/174318793.db2.gz UKVJUZVYVQZHIC-QWRGUYRKSA-N 1 0 200.326 0.951 10 0 BCAERO COCCNC(=O)C1CCC([NH3+])CC1 ZINC000037481605 174319106 /nfs/dbraw/zinc/31/91/06/174319106.db2.gz ZUILRFSVKZUPCF-UHFFFAOYSA-N 1 0 200.282 0.267 10 0 BCAERO COCCNC(=O)[C@H](C)[NH2+]C[C@H]1CCCCO1 ZINC000042821313 174327034 /nfs/dbraw/zinc/32/70/34/174327034.db2.gz UVZMAWUJACFGSI-WDEREUQCSA-N 1 0 244.335 0.296 10 0 BCAERO COCC[NH2+]CC(=O)N[C@H](C)c1cccnc1 ZINC000092495189 174331116 /nfs/dbraw/zinc/33/11/16/174331116.db2.gz QJGNMURCPGQSDE-SNVBAGLBSA-N 1 0 237.303 0.495 10 0 BCAERO COCC[NH2+]C[C@H](O)COc1ccccc1 ZINC000005997849 174334264 /nfs/dbraw/zinc/33/42/64/174334264.db2.gz VDNNHBMWPQQUCI-NSHDSACASA-N 1 0 225.288 0.662 10 0 BCAERO COCC[NH2+]C[C@H]1CCC[N@@H+]([C@@H](C)C(=O)[O-])C1 ZINC000111701059 174334905 /nfs/dbraw/zinc/33/49/05/174334905.db2.gz YXFOLUHHPRERBY-WDEREUQCSA-N 1 0 244.335 0.408 10 0 BCAERO COCCNCc1csc(CC[NH+](C)C)n1 ZINC000082688179 174335694 /nfs/dbraw/zinc/33/56/94/174335694.db2.gz POXINDVSSYTUHD-UHFFFAOYSA-N 1 0 243.376 0.983 10 0 BCAERO COCC[NH2+][C@@](C)(C(N)=O)c1ccccc1C ZINC000053259400 174339110 /nfs/dbraw/zinc/33/91/10/174339110.db2.gz VRRWWHZKEKXKFQ-CYBMUJFWSA-N 1 0 236.315 0.932 10 0 BCAERO COCCN[C@](C)(C(N)=O)c1ccc(F)cc1 ZINC000053259515 174340646 /nfs/dbraw/zinc/34/06/46/174340646.db2.gz UJTZJSMIUWFHNJ-LBPRGKRZSA-N 1 0 240.278 0.762 10 0 BCAERO COCCOCC(=O)N1CC[C@H](C)C[C@H]1C[NH3+] ZINC000234678263 174346138 /nfs/dbraw/zinc/34/61/38/174346138.db2.gz NUHVJKWXFITFHS-QWRGUYRKSA-N 1 0 244.335 0.235 10 0 BCAERO COCCOc1cc2c(cc1C[NH3+])OCO2 ZINC000042873676 174367983 /nfs/dbraw/zinc/36/79/83/174367983.db2.gz MMPCRRNYHFXNMG-UHFFFAOYSA-N 1 0 225.244 0.899 10 0 BCAERO COCCOc1ccc(N(C)C(=O)C[NH3+])cc1 ZINC000107291240 174368674 /nfs/dbraw/zinc/36/86/74/174368674.db2.gz SZRYVHYRRUUFLN-UHFFFAOYSA-N 1 0 238.287 0.633 10 0 BCAERO COCCc1nc(COC)c(C[NH3+])s1 ZINC000082445165 174425074 /nfs/dbraw/zinc/42/50/74/174425074.db2.gz UPFMCLZPNDNHAK-UHFFFAOYSA-N 1 0 216.306 0.937 10 0 BCAERO COC[C@@H](C)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000183371600 174436129 /nfs/dbraw/zinc/43/61/29/174436129.db2.gz BMZKGRAZKYVPJQ-SNVBAGLBSA-N 1 0 228.336 0.775 10 0 BCAERO COC[C@@H](O)CN(C)C(=O)CCC[NH2+]C(C)C ZINC000042526054 174490744 /nfs/dbraw/zinc/49/07/44/174490744.db2.gz DSEQGELRFKLGKA-NSHDSACASA-N 1 0 246.351 0.230 10 0 BCAERO COC[C@@H](O)CN(C)c1ccc(F)cc1C[NH3+] ZINC000042511763 174491971 /nfs/dbraw/zinc/49/19/71/174491971.db2.gz HPJZKEVHPUAPAT-NSHDSACASA-N 1 0 242.294 0.728 10 0 BCAERO COC[C@H](C)C(=O)N[C@](C)(C[NH3+])C(C)C ZINC000237234260 174528382 /nfs/dbraw/zinc/52/83/82/174528382.db2.gz FTKXMBLQMTYQSN-GXSJLCMTSA-N 1 0 216.325 0.759 10 0 BCAERO COCc1cccc(CNC(=O)C2C[NH2+]C2)c1 ZINC000091408947 174630437 /nfs/dbraw/zinc/63/04/37/174630437.db2.gz VCWDGTZBDYSJQU-UHFFFAOYSA-N 1 0 234.299 0.669 10 0 BCAERO CO[C@H]1C[NH2+]C[C@@H]1NC(=O)C1CCCC1 ZINC000036235718 174899130 /nfs/dbraw/zinc/89/91/30/174899130.db2.gz VDJCKKRUWOIATL-UWVGGRQHSA-N 1 0 212.293 0.280 10 0 BCAERO CO[C@H]1C[C@@H](CO)[N@H+](CCC(C)(C)OC)C1 ZINC000309285683 174903801 /nfs/dbraw/zinc/90/38/01/174903801.db2.gz OOZMBZLIAGZUMP-QWRGUYRKSA-N 1 0 231.336 0.883 10 0 BCAERO COc1cc(CN2CC[NH2+]CC2)ccn1 ZINC000062073651 174981043 /nfs/dbraw/zinc/98/10/43/174981043.db2.gz PGQRDJOEJVRNDB-UHFFFAOYSA-N 1 0 207.277 0.495 10 0 BCAERO COc1cc(C[NH2+][C@H](C)C(=O)N(C)C)ccn1 ZINC000062070415 174985529 /nfs/dbraw/zinc/98/55/29/174985529.db2.gz WAOWUXWJPCFFSW-SECBINFHSA-N 1 0 237.303 0.657 10 0 BCAERO COc1cc(OC)c(C(N)=[NH2+])cc1OC ZINC000034076818 175006694 /nfs/dbraw/zinc/00/66/94/175006694.db2.gz XMLPBNRHULKDHG-UHFFFAOYSA-N 1 0 210.233 0.996 10 0 BCAERO COc1cc(OC)c([C@@H](N)C[NH3+])c(OC)c1 ZINC000035676921 175008281 /nfs/dbraw/zinc/00/82/81/175008281.db2.gz LXYUMSIMJODLHZ-QMMMGPOBSA-N 1 0 226.276 0.671 10 0 BCAERO COc1cc(OC)cc(OCC[C@@H]([NH3+])CO)c1 ZINC000071550525 175010611 /nfs/dbraw/zinc/01/06/11/175010611.db2.gz JCCCOIQGUYLTMO-SECBINFHSA-N 1 0 241.287 0.792 10 0 BCAERO COc1cc([C@@H](C)[NH2+][C@@H](C)C(N)=O)ccc1O ZINC000035793262 175013954 /nfs/dbraw/zinc/01/39/54/175013954.db2.gz XXNSEODVJZQRGQ-SFYZADRCSA-N 1 0 238.287 0.925 10 0 BCAERO COc1cc([C@@H](O)[C@H](C)[NH3+])cc(O)c1OC ZINC000040380674 175015139 /nfs/dbraw/zinc/01/51/39/175015139.db2.gz UXZISGGFRNEIGD-WKEGUHRASA-N 1 0 227.260 0.790 10 0 BCAERO COc1cc([C@H](N)C[NH3+])c(F)cc1O ZINC000072200561 175017128 /nfs/dbraw/zinc/01/71/28/175017128.db2.gz MNFYRBCIQXDHFY-SSDOTTSWSA-N 1 0 200.213 0.498 10 0 BCAERO COc1ccc(-n2nnnc2[C@@H](C)[NH3+])c(OC)c1 ZINC000062494041 175045803 /nfs/dbraw/zinc/04/58/03/175045803.db2.gz MKRBFXJVBUMUHJ-SSDOTTSWSA-N 1 0 249.274 0.699 10 0 BCAERO COc1ccc(-n2nnnc2C[NH3+])cc1OC ZINC000054744884 175045954 /nfs/dbraw/zinc/04/59/54/175045954.db2.gz BOOBWCLASALHEV-UHFFFAOYSA-N 1 0 235.247 0.138 10 0 BCAERO COc1ccc(C(N)=O)cc1NC1CC[NH2+]CC1 ZINC000038041309 175069921 /nfs/dbraw/zinc/06/99/21/175069921.db2.gz LDMSTKYPKLOHQY-UHFFFAOYSA-N 1 0 249.314 0.958 10 0 BCAERO COc1ccc(C)cc1C(=O)N[C@@H]1C[C@H]1[NH3+] ZINC000052943792 175073984 /nfs/dbraw/zinc/07/39/84/175073984.db2.gz YRJNZHCSWGZDOH-NXEZZACHSA-N 1 0 220.272 0.833 10 0 BCAERO COc1ccc(CC[NH2+]CC(N)=O)cc1OC ZINC000020040395 175091302 /nfs/dbraw/zinc/09/13/02/175091302.db2.gz VINDBTWSEWLLHK-UHFFFAOYSA-N 1 0 238.287 0.321 10 0 BCAERO COc1ccc(CC[C@@H]([NH3+])CO)c(OC)c1 ZINC000071532237 175092939 /nfs/dbraw/zinc/09/29/39/175092939.db2.gz JJUINDFGWWQDLN-SNVBAGLBSA-N 1 0 225.288 0.956 10 0 BCAERO COc1ccc(CCS(=O)(=O)CC[NH3+])cc1 ZINC000057955769 175092955 /nfs/dbraw/zinc/09/29/55/175092955.db2.gz ZVHUNEOXILLSIU-UHFFFAOYSA-N 1 0 243.328 0.611 10 0 BCAERO COc1ccc(C[NH2+][C@H]2CCC(=O)N[C@@H]2C)cn1 ZINC000282214410 175112309 /nfs/dbraw/zinc/11/23/09/175112309.db2.gz DONNVQYXLJVOQI-KOLCDFICSA-N 1 0 249.314 0.847 10 0 BCAERO COc1ccc(N2C[C@@H]([NH3+])CC2=O)cn1 ZINC000035679837 175139353 /nfs/dbraw/zinc/13/93/53/175139353.db2.gz BIMCSAIEHMHWCC-ZETCQYMHSA-N 1 0 207.233 0.154 10 0 BCAERO COc1ccc(N2C[C@H]([NH3+])CC2=O)c(F)c1 ZINC000229015560 175140121 /nfs/dbraw/zinc/14/01/21/175140121.db2.gz VLFRITCSKVITPM-SSDOTTSWSA-N 1 0 224.235 0.898 10 0 BCAERO COc1ccc(NC(=O)N[C@@H]2C[C@@H]2[NH3+])cc1 ZINC000036263255 175144087 /nfs/dbraw/zinc/14/40/87/175144087.db2.gz QVTNEDALQJNENB-VHSXEESVSA-N 1 0 221.260 0.916 10 0 BCAERO COc1ccc(NC(=O)N[C@H]2C[C@H]2[NH3+])cc1 ZINC000036263259 175144851 /nfs/dbraw/zinc/14/48/51/175144851.db2.gz QVTNEDALQJNENB-ZJUUUORDSA-N 1 0 221.260 0.916 10 0 BCAERO COc1ccc(NC(=O)[C@@H]2CC[NH2+]C2)cn1 ZINC000062112325 175145667 /nfs/dbraw/zinc/14/56/67/175145667.db2.gz IFPUULHWUQDZQU-MRVPVSSYSA-N 1 0 221.260 0.638 10 0 BCAERO COc1ccc(O)c(C(=O)N[C@@H]2C[C@@H]2[NH3+])c1 ZINC000043327873 175157628 /nfs/dbraw/zinc/15/76/28/175157628.db2.gz JLNMDCKHEFJONV-DTWKUNHWSA-N 1 0 222.244 0.230 10 0 BCAERO COc1ccc(OC)c(-n2nnnc2C[NH3+])c1 ZINC000054744875 175163789 /nfs/dbraw/zinc/16/37/89/175163789.db2.gz RPZVRCNESYHIGX-UHFFFAOYSA-N 1 0 235.247 0.138 10 0 BCAERO COc1ccc(OC)c([C@](C)(O)C[NH3+])c1 ZINC000001998680 175169441 /nfs/dbraw/zinc/16/94/41/175169441.db2.gz AURMVDWBJNLYHE-LLVKDONJSA-N 1 0 211.261 0.870 10 0 BCAERO COc1ccc(OC[C@](C)(O)C[NH3+])cc1 ZINC000019667967 175173128 /nfs/dbraw/zinc/17/31/28/175173128.db2.gz IQOAQWFCDSGMBW-LLVKDONJSA-N 1 0 211.261 0.784 10 0 BCAERO COc1ccc(S(=O)(=O)N[C@H]2C[C@@H]2[NH3+])cc1 ZINC000036263997 175174487 /nfs/dbraw/zinc/17/44/87/175174487.db2.gz LFEYXGFMDMYUCI-UWVGGRQHSA-N 1 0 242.300 0.073 10 0 BCAERO COc1ccc(S(=O)(=O)N[C@@H]2C[C@H]2[NH3+])cc1 ZINC000036263998 175174491 /nfs/dbraw/zinc/17/44/91/175174491.db2.gz LFEYXGFMDMYUCI-NXEZZACHSA-N 1 0 242.300 0.073 10 0 BCAERO COc1ccc2c(c1)nc([C@H]([NH3+])CO)n2C ZINC000076136203 175220079 /nfs/dbraw/zinc/22/00/79/175220079.db2.gz MCOZROJDSYEITD-MRVPVSSYSA-N 1 0 221.260 0.574 10 0 BCAERO COc1cccc(C(=O)NC2CC([NH3+])C2)c1 ZINC000036237065 175244818 /nfs/dbraw/zinc/24/48/18/175244818.db2.gz YPKQUYVEXPLDCD-UHFFFAOYSA-N 1 0 220.272 0.915 10 0 BCAERO COc1cccc(C(=O)N[C@H]2C[C@H]2[NH3+])c1O ZINC000036234059 175246024 /nfs/dbraw/zinc/24/60/24/175246024.db2.gz IUHRKEHTKZLQCR-SFYZADRCSA-N 1 0 222.244 0.230 10 0 BCAERO COc1cccc(CC(=O)N[C@H]2C[C@H]2[NH3+])c1 ZINC000036235137 175251217 /nfs/dbraw/zinc/25/12/17/175251217.db2.gz PZUIAEADKQDMEQ-MNOVXSKESA-N 1 0 220.272 0.454 10 0 BCAERO COc1cccc(CC[NH3+])c1O[C@H](C)C(N)=O ZINC000037721677 175251694 /nfs/dbraw/zinc/25/16/94/175251694.db2.gz LDDHRGZESYBLSG-MRVPVSSYSA-N 1 0 238.287 0.449 10 0 BCAERO COc1cccc(CC[NH3+])c1O[C@@H](C)C(N)=O ZINC000037721676 175251994 /nfs/dbraw/zinc/25/19/94/175251994.db2.gz LDDHRGZESYBLSG-QMMMGPOBSA-N 1 0 238.287 0.449 10 0 BCAERO COc1cccc(CN2CCN(CC[NH3+])CC2)c1 ZINC000019933504 175258239 /nfs/dbraw/zinc/25/82/39/175258239.db2.gz METUGLSBASIEKX-UHFFFAOYSA-N 1 0 249.358 0.772 10 0 BCAERO COc1cccc(C[NH2+][C@@H]2CCC(=O)N[C@@H]2C)n1 ZINC000282314512 175266579 /nfs/dbraw/zinc/26/65/79/175266579.db2.gz KRCDJZLGMRRYKC-MWLCHTKSSA-N 1 0 249.314 0.847 10 0 BCAERO COc1cccc(Cc2n[nH]c(C[NH3+])n2)c1 ZINC000061843853 175273336 /nfs/dbraw/zinc/27/33/36/175273336.db2.gz JMLVNDKYGXFXME-UHFFFAOYSA-N 1 0 218.260 0.863 10 0 BCAERO COc1cccc(N(C)C[C@@H](O)CC[NH3+])c1 ZINC000077337148 175275540 /nfs/dbraw/zinc/27/55/40/175275540.db2.gz YBFGCZQRCWWBLG-NSHDSACASA-N 1 0 224.304 0.841 10 0 BCAERO COc1cccc(NC(=O)N[C@@H]2C[C@@H]2[NH3+])c1 ZINC000041047758 175277248 /nfs/dbraw/zinc/27/72/48/175277248.db2.gz YTQZFNNJWODORK-VHSXEESVSA-N 1 0 221.260 0.916 10 0 BCAERO COc1cccc(NC(=O)N[C@@H]2C[C@H]2[NH3+])c1 ZINC000041047760 175277402 /nfs/dbraw/zinc/27/74/02/175277402.db2.gz YTQZFNNJWODORK-NXEZZACHSA-N 1 0 221.260 0.916 10 0 BCAERO COc1cccc(NCc2n[nH]c(C[NH3+])n2)c1 ZINC000072236517 175279501 /nfs/dbraw/zinc/27/95/01/175279501.db2.gz NNFFHVGEFWENMY-UHFFFAOYSA-N 1 0 233.275 0.884 10 0 BCAERO COc1cccc(OC)c1C(=O)N1CC([NH3+])C1 ZINC000104313923 175281583 /nfs/dbraw/zinc/28/15/83/175281583.db2.gz JTKTUWRGZBYVRA-UHFFFAOYSA-N 1 0 236.271 0.487 10 0 BCAERO COc1cccc(OC[C@H]([NH3+])CO)c1OC ZINC000071533112 175284027 /nfs/dbraw/zinc/28/40/27/175284027.db2.gz DBXVKTGNLWEIIG-MRVPVSSYSA-N 1 0 227.260 0.402 10 0 BCAERO COc1cccc([C@@H](O)C[NH2+]CCN(C)C)c1 ZINC000032090317 175288653 /nfs/dbraw/zinc/28/86/53/175288653.db2.gz HSEJIOKMXIQBHX-ZDUSSCGKSA-N 1 0 238.331 0.880 10 0 BCAERO COc1cccc([C@@H]([NH3+])CS(C)(=O)=O)c1 ZINC000052788772 175288901 /nfs/dbraw/zinc/28/89/01/175288901.db2.gz IYHODHDEOLUECX-JTQLQIEISA-N 1 0 229.301 0.740 10 0 BCAERO COc1cccc([C@H](O)CN2CC[NH2+]CC2)c1 ZINC000020264227 175295286 /nfs/dbraw/zinc/29/52/86/175295286.db2.gz KSLCHKLWPHFYDK-CYBMUJFWSA-N 1 0 236.315 0.634 10 0 BCAERO COc1ccccc1Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000058054137 175335147 /nfs/dbraw/zinc/33/51/47/175335147.db2.gz QVOQGXAXIYNBLE-UHFFFAOYSA-N 1 0 245.282 0.828 10 0 BCAERO COc1ccccc1OC[C@@](C)(O)C[NH3+] ZINC000019667957 175342019 /nfs/dbraw/zinc/34/20/19/175342019.db2.gz HKWMQEDECNQTDI-NSHDSACASA-N 1 0 211.261 0.784 10 0 BCAERO COc1ccccc1O[C@@H](C)C(=O)NCC[NH3+] ZINC000019787158 175342888 /nfs/dbraw/zinc/34/28/88/175342888.db2.gz DTOVEVRDNXQTHX-VIFPVBQESA-N 1 0 238.287 0.537 10 0 BCAERO COc1ccccc1[C@H]1NC(=O)CC[C@@H]1[NH3+] ZINC000057501503 175355216 /nfs/dbraw/zinc/35/52/16/175355216.db2.gz DUXPHEOMSUMWAR-JOYOIKCWSA-N 1 0 220.272 0.974 10 0 BCAERO COc1ccnc(N2CC[C@H](C[NH3+])C2)n1 ZINC000050249854 175362272 /nfs/dbraw/zinc/36/22/72/175362272.db2.gz GOIFWKJNVZZLGV-MRVPVSSYSA-N 1 0 208.265 0.270 10 0 BCAERO COc1ccnc(N2CC[C@@H](C[NH3+])C2)n1 ZINC000050249856 175362735 /nfs/dbraw/zinc/36/27/35/175362735.db2.gz GOIFWKJNVZZLGV-QMMMGPOBSA-N 1 0 208.265 0.270 10 0 BCAERO COc1ccnc(NC[C@@H]2CCC[NH2+]2)n1 ZINC000053255367 175364301 /nfs/dbraw/zinc/36/43/01/175364301.db2.gz LAVXVWQDPQQCJW-QMMMGPOBSA-N 1 0 208.265 0.649 10 0 BCAERO COc1cncc(N2C[C@H]3CC[NH2+]C[C@H]32)c1 ZINC000033992556 175386636 /nfs/dbraw/zinc/38/66/36/175386636.db2.gz IQCDZVRYLPBQRD-BXKDBHETSA-N 1 0 219.288 0.888 10 0 BCAERO COc1nc(C)c(C[NH2+]C[C@H](C)O)s1 ZINC000045205499 175388921 /nfs/dbraw/zinc/38/89/21/175388921.db2.gz SKQAXGLICISGGH-LURJTMIESA-N 1 0 216.306 0.931 10 0 BCAERO CS(=O)(=O)Nc1c[nH]nc1[C@@H]1CCC[NH2+]C1 ZINC000095829466 175432261 /nfs/dbraw/zinc/43/22/61/175432261.db2.gz ABOUJHAGOLZRKB-SSDOTTSWSA-N 1 0 244.320 0.248 10 0 BCAERO Cc1cc(N2CCO[C@H]([C@H](C)[NH3+])C2)nc(C)n1 ZINC000228376475 487630610 /nfs/dbraw/zinc/63/06/10/487630610.db2.gz KKINFMHLDANQFY-ONGXEEELSA-N 1 0 236.319 0.646 10 0 BCAERO Cc1cccc(N2CCO[C@@H]([C@H](C)[NH3+])C2)n1 ZINC000228374999 487630633 /nfs/dbraw/zinc/63/06/33/487630633.db2.gz CUMQBWRNSZCMMZ-WDEREUQCSA-N 1 0 221.304 0.942 10 0 BCAERO C[C@@H](CCC[NH3+])C(=O)NC[C@H]1CCCO1 ZINC000076608333 175665479 /nfs/dbraw/zinc/66/54/79/175665479.db2.gz YKQNMIRTVVFQMO-VHSXEESVSA-N 1 0 214.309 0.657 10 0 BCAERO C[C@@H](Cc1ccco1)N1CC[C@H]([NH3+])C1=O ZINC000049649095 175774884 /nfs/dbraw/zinc/77/48/84/175774884.db2.gz CCVUOBKVCXKXSY-WPRPVWTQSA-N 1 0 208.261 0.770 10 0 BCAERO C[C@@H]([NH3+])C(=O)N1CCC2(C1)CCC(CO)CC2 ZINC000095088833 175795216 /nfs/dbraw/zinc/79/52/16/175795216.db2.gz OMJWXXQTGMVHGN-XSRFYTQQSA-N 1 0 240.347 0.735 10 0 BCAERO C[C@@H]([NH3+])C(=O)NC[C@H](O)c1ccc(Cl)s1 ZINC000119406683 175798295 /nfs/dbraw/zinc/79/82/95/175798295.db2.gz FSLWZIMHBZIOOE-RITPCOANSA-N 1 0 248.735 0.898 10 0 BCAERO C[C@@H]([NH3+])[C@H](c1cccnc1)N1CCNC(=O)CC1 ZINC000062099819 175813852 /nfs/dbraw/zinc/81/38/52/175813852.db2.gz FSTUVACNZNENFB-ZWNOBZJWSA-N 1 0 248.330 0.292 10 0 BCAERO C[C@@H](NS(=O)(=O)C1CC[NH2+]CC1)C1CC1 ZINC000049643384 175909273 /nfs/dbraw/zinc/90/92/73/175909273.db2.gz OGSUFAVUOPEYSV-MRVPVSSYSA-N 1 0 232.349 0.456 10 0 BCAERO C[C@@H](O[C@@H]1CC[NH2+]C1)C(=O)N1CCCC1 ZINC000051782151 176002918 /nfs/dbraw/zinc/00/29/18/176002918.db2.gz PDUHMNPJHDCEAF-NXEZZACHSA-N 1 0 212.293 0.376 10 0 BCAERO C[C@@H](c1ccccc1)n1nnnc1C[NH3+] ZINC000054745632 176023823 /nfs/dbraw/zinc/02/38/23/176023823.db2.gz REOIMTVKIYIQBM-QMMMGPOBSA-N 1 0 203.249 0.741 10 0 BCAERO C[C@@H](c1ccccn1)N1CC[C@H]([NH3+])C1=O ZINC000049648735 176028266 /nfs/dbraw/zinc/02/82/66/176028266.db2.gz XBZUIJUXLDZDNT-IUCAKERBSA-N 1 0 205.261 0.702 10 0 BCAERO C[C@@H]1CC(=O)N(C[C@@H]2CCC[NH2+]C2)C1=O ZINC000038051913 176048504 /nfs/dbraw/zinc/04/85/04/176048504.db2.gz QVBWRYXPTUPCTA-RKDXNWHRSA-N 1 0 210.277 0.381 10 0 BCAERO C[C@@H]1CC(=O)N(C[C@@H]([NH3+])C(C)(C)C)C1=O ZINC000040739817 176048710 /nfs/dbraw/zinc/04/87/10/176048710.db2.gz IULPKNCDKNWDGM-HTQZYQBOSA-N 1 0 212.293 0.755 10 0 BCAERO C[C@@H]1CCCC[N@@H+]1CCCNCC(=O)N(C)C ZINC000020047838 176072252 /nfs/dbraw/zinc/07/22/52/176072252.db2.gz KTNRPLFQGIVFIU-GFCCVEGCSA-N 1 0 241.379 0.929 10 0 BCAERO C[C@@H]1CCCCN1S(=O)(=O)C1CC[NH2+]CC1 ZINC000049631916 176074126 /nfs/dbraw/zinc/07/41/26/176074126.db2.gz BVKUHAYZRHNUDD-SNVBAGLBSA-N 1 0 246.376 0.943 10 0 BCAERO C[C@@H]1CN(CC(=O)N2CCC[C@@H](C)C2)C[C@@H]1[NH3+] ZINC000235306979 176091875 /nfs/dbraw/zinc/09/18/75/176091875.db2.gz ZGFMYTHPUVHGTD-UTUOFQBUSA-N 1 0 239.363 0.524 10 0 BCAERO C[C@@H]1CCCN1S(=O)(=O)CCC[NH3+] ZINC000037911528 176110873 /nfs/dbraw/zinc/11/08/73/176110873.db2.gz QTQCXYVOUWISSV-MRVPVSSYSA-N 1 0 206.311 0.149 10 0 BCAERO C[C@@H]1CCC[C@@H](N(C)C(=O)[C@@H]2C[NH2+]CCN2)C1 ZINC000062813016 176119725 /nfs/dbraw/zinc/11/97/25/176119725.db2.gz ICYQFTZMVYUDCZ-UTUOFQBUSA-N 1 0 239.363 0.585 10 0 BCAERO C[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000070834324 176129862 /nfs/dbraw/zinc/12/98/62/176129862.db2.gz OIQHWHQHDMAGAF-KATARQTJSA-N 1 0 212.293 0.014 10 0 BCAERO C[C@@H]1CCC[C@H](C(=O)N2CCO[C@H](C)C2)[NH2+]1 ZINC000034717580 176135571 /nfs/dbraw/zinc/13/55/71/176135571.db2.gz HYMMODUHQGUJJU-GMTAPVOTSA-N 1 0 226.320 0.764 10 0 BCAERO C[C@@H]1CCC[C@H](C(=O)NC[C@@H]2CCCO2)[NH2+]1 ZINC000019484727 176135959 /nfs/dbraw/zinc/13/59/59/176135959.db2.gz KDHGDUKFEMAHNH-OUAUKWLOSA-N 1 0 226.320 0.812 10 0 BCAERO C[C@@H]1CCC[C@H](CN2CCCS2(=O)=O)[NH2+]1 ZINC000051574870 176137259 /nfs/dbraw/zinc/13/72/59/176137259.db2.gz YBKZEONIWBFSAP-NXEZZACHSA-N 1 0 232.349 0.553 10 0 BCAERO C[C@@H]1CCC[C@H](CN2CCCNC2=O)[NH2+]1 ZINC000051574903 176137629 /nfs/dbraw/zinc/13/76/29/176137629.db2.gz VGHNEQWJQIEXQS-NXEZZACHSA-N 1 0 211.309 0.932 10 0 BCAERO C[C@@H]1CCC[C@H](CNS(C)(=O)=O)[NH2+]1 ZINC000051574262 176139318 /nfs/dbraw/zinc/13/93/18/176139318.db2.gz XDBMSTWAMXQTQI-HTQZYQBOSA-N 1 0 206.311 0.066 10 0 BCAERO C[C@@H]1CCC[C@H]([NH3+])[C@@H]1C(=O)N1CCC[C@@H]1CO ZINC000055139913 176140271 /nfs/dbraw/zinc/14/02/71/176140271.db2.gz UILLSGIKKQIWAX-WISYIIOYSA-N 1 0 240.347 0.733 10 0 BCAERO C[C@@H]1CCC[C@](C[NH3+])(N(C)S(C)(=O)=O)C1 ZINC000050092847 176151164 /nfs/dbraw/zinc/15/11/64/176151164.db2.gz NXOZYXGUTYUMNG-ZJUUUORDSA-N 1 0 234.365 0.785 10 0 BCAERO C[C@@H]1CCC[C@](C(N)=O)(N2CC[NH2+]CC2)C1 ZINC000037945634 176151590 /nfs/dbraw/zinc/15/15/90/176151590.db2.gz REHKDFXSLDHJCR-PWSUYJOCSA-N 1 0 225.336 0.326 10 0 BCAERO C[C@@H]1CCC[C@](CO)(NC(=O)CC[NH3+])C1 ZINC000053127800 176152468 /nfs/dbraw/zinc/15/24/68/176152468.db2.gz QGGPNIVBZRVXEW-KOLCDFICSA-N 1 0 214.309 0.393 10 0 BCAERO C[C@@H]1CCC[C@](CO)([NH2+]CC(=O)N(C)C)C1 ZINC000053126917 176152499 /nfs/dbraw/zinc/15/24/99/176152499.db2.gz GAIYOKMUFWSWOT-PWSUYJOCSA-N 1 0 228.336 0.605 10 0 BCAERO C[C@@H]1CCN(CC(=O)N2CCCC2)[C@@H](C[NH3+])C1 ZINC000224845343 176166938 /nfs/dbraw/zinc/16/69/38/176166938.db2.gz IDEXTAMERPNVQK-VXGBXAGGSA-N 1 0 239.363 0.668 10 0 BCAERO C[C@@H]1CCN(C[C@@H]2CCS(=O)(=O)C2)CC[NH2+]1 ZINC000050604607 176172388 /nfs/dbraw/zinc/17/23/88/176172388.db2.gz UPNUBDVHYSJHJV-MNOVXSKESA-N 1 0 246.376 0.105 10 0 BCAERO C[C@@H]1CC[C@@H](CN2C(=O)CCC2=O)C[NH2+]1 ZINC000062037664 176202720 /nfs/dbraw/zinc/20/27/20/176202720.db2.gz IZWNABBFIRMEGI-RKDXNWHRSA-N 1 0 210.277 0.524 10 0 BCAERO C[C@@H]1CN(C(=O)C2([NH3+])CCOCC2)C[C@@H](C)O1 ZINC000127696047 176242730 /nfs/dbraw/zinc/24/27/30/176242730.db2.gz JSYCAKHSQVVWDG-NXEZZACHSA-N 1 0 242.319 0.130 10 0 BCAERO C[C@@H]1CN(C(=O)C2([NH3+])CCCC2)C[C@@H](C)O1 ZINC000037479359 176242777 /nfs/dbraw/zinc/24/27/77/176242777.db2.gz AFPXMHAHHDSJNG-NXEZZACHSA-N 1 0 226.320 0.894 10 0 BCAERO C[C@@H]1CN(C(=O)CC[C@@H]2CC[NH2+]C2)CCO1 ZINC000134463637 176245736 /nfs/dbraw/zinc/24/57/36/176245736.db2.gz PMHKRTZTOVUTQC-GHMZBOCLSA-N 1 0 226.320 0.623 10 0 BCAERO C[C@@H]1CN(C(=O)N2CC[NH2+]CC2)C[C@@H](C)O1 ZINC000022145129 176250242 /nfs/dbraw/zinc/25/02/42/176250242.db2.gz OUTHTUPIRRKWCP-NXEZZACHSA-N 1 0 227.308 0.121 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N1C[C@@H](C)[C@H](C)C1 ZINC000235285077 176255486 /nfs/dbraw/zinc/25/54/86/176255486.db2.gz CKKXFJYKANTUST-GWOFURMSSA-N 1 0 210.321 0.956 10 0 BCAERO C[C@@H]1CN(C(=O)[C@@H]2Cc3ccccc3O2)C[C@@H]1[NH3+] ZINC000235360270 176255999 /nfs/dbraw/zinc/25/59/99/176255999.db2.gz DLUXBYZKFDCICJ-CDMKHQONSA-N 1 0 246.310 0.796 10 0 BCAERO C[C@@H]1CN(C(=O)[C@H]2CCC[NH2+]C2)C[C@@H](C)O1 ZINC000019412296 176258254 /nfs/dbraw/zinc/25/82/54/176258254.db2.gz HYWBZZHJNKSENM-MXWKQRLJSA-N 1 0 226.320 0.622 10 0 BCAERO C[C@@H]1CN(C(=O)c2cccnc2)C[C@@H]1[NH3+] ZINC000235370533 176262810 /nfs/dbraw/zinc/26/28/10/176262810.db2.gz OEUVPBGEDNIHJY-SCZZXKLOSA-N 1 0 205.261 0.501 10 0 BCAERO C[C@@H]1CN(C(=O)c2nccnc2N)C[C@@H]1[NH+](C)C ZINC000266146558 176265792 /nfs/dbraw/zinc/26/57/92/176265792.db2.gz GJVLDBGFTOXLSG-BDAKNGLRSA-N 1 0 249.318 0.081 10 0 BCAERO C[C@@H]1CN(C2(C[NH3+])CCSCC2)CCO1 ZINC000042334914 176280555 /nfs/dbraw/zinc/28/05/55/176280555.db2.gz CKKSCIJZUFCEET-SNVBAGLBSA-N 1 0 230.377 0.932 10 0 BCAERO C[C@@H]1C[N@H+](CC(C)(C)O)C[C@@H]1N(C)C ZINC000124747432 176285086 /nfs/dbraw/zinc/28/50/86/176285086.db2.gz CUJQHAOXBDOEKB-ZJUUUORDSA-N 1 0 200.326 0.639 10 0 BCAERO C[C@@H]1CN(C[C@H](O)C(F)(F)F)C[C@@H]1[NH+](C)C ZINC000124745452 176298997 /nfs/dbraw/zinc/29/89/97/176298997.db2.gz GURMGGMHBJAJHR-VGMNWLOBSA-N 1 0 240.269 0.792 10 0 BCAERO C[C@@H]1CN(S(=O)(=O)c2cccs2)C[C@@H]1[NH3+] ZINC000235372819 176314607 /nfs/dbraw/zinc/31/46/07/176314607.db2.gz KAXALWILLOVVES-SFYZADRCSA-N 1 0 246.357 0.716 10 0 BCAERO C[C@@H]1C[N@@H+]([C@@H]2CCCC[C@@H]2O)C[C@H](CO)O1 ZINC000191765718 176314920 /nfs/dbraw/zinc/31/49/20/176314920.db2.gz JNBUBDRTVRPCML-KKOKHZNYSA-N 1 0 229.320 0.372 10 0 BCAERO C[C@@H]1CN([C@@H](C[NH3+])c2ccccn2)CCO1 ZINC000019268455 176315559 /nfs/dbraw/zinc/31/55/59/176315559.db2.gz LBTLNRBOAYZFRJ-PWSUYJOCSA-N 1 0 221.304 0.802 10 0 BCAERO C[C@@H]1CN(c2ccnc(N(C)C)n2)C[C@@H]1[NH3+] ZINC000235380115 176319841 /nfs/dbraw/zinc/31/98/41/176319841.db2.gz PGEZWPUVLWOURT-BDAKNGLRSA-N 1 0 221.308 0.326 10 0 BCAERO C[C@@H]1C[NH2+]C[C@@H]1C(=O)NC1(CO)CCCCC1 ZINC000104224101 176328905 /nfs/dbraw/zinc/32/89/05/176328905.db2.gz KQZNMHJSFCIIIL-MNOVXSKESA-N 1 0 240.347 0.653 10 0 BCAERO C[C@@H]1CN[C@@H](C(=O)N(C)C2CCCCC2)C[NH2+]1 ZINC000062813970 176330629 /nfs/dbraw/zinc/33/06/29/176330629.db2.gz QAWQMJFCTXKAJR-ZYHUDNBSSA-N 1 0 239.363 0.727 10 0 BCAERO C[C@@H]1COCCN1C(=O)CC[C@H]1CC[NH2+]C1 ZINC000134481628 176333775 /nfs/dbraw/zinc/33/37/75/176333775.db2.gz HLWIQHLEUCDOFR-MNOVXSKESA-N 1 0 226.320 0.623 10 0 BCAERO C[C@@H]1COCCN1C(=O)C1CCC([NH3+])CC1 ZINC000037482168 176334335 /nfs/dbraw/zinc/33/43/35/176334335.db2.gz VWTAWPJQJKOVOP-KPPDAEKUSA-N 1 0 226.320 0.751 10 0 BCAERO C[C@@H]1COCCN1CC1(C[NH3+])CCOCC1 ZINC000052181621 176336011 /nfs/dbraw/zinc/33/60/11/176336011.db2.gz UVGUKLXWXMYILA-LLVKDONJSA-N 1 0 228.336 0.463 10 0 BCAERO C[C@@H]1COCCN1Cc1occc1C[NH3+] ZINC000052475850 176336981 /nfs/dbraw/zinc/33/69/81/176336981.db2.gz WIAKLKVDPFHUQV-SECBINFHSA-N 1 0 210.277 0.959 10 0 BCAERO C[C@@H]1COCCN1Cc1cccnc1C[NH3+] ZINC000061656560 176337192 /nfs/dbraw/zinc/33/71/92/176337192.db2.gz AIJHIZNUHZPDPK-SNVBAGLBSA-N 1 0 221.304 0.761 10 0 BCAERO C[C@@H]1COCCN1Cc1cc(C[NH3+])no1 ZINC000052475961 176337824 /nfs/dbraw/zinc/33/78/24/176337824.db2.gz ZZDIAPNIXQWSCL-MRVPVSSYSA-N 1 0 211.265 0.354 10 0 BCAERO C[C@@H]1CSC(N[C@@H]2CCS(=O)(=O)C2)=[NH+]1 ZINC000035294816 176349440 /nfs/dbraw/zinc/34/94/40/176349440.db2.gz VRYCSPATLXYGRR-RNFRBKRXSA-N 1 0 234.346 0.254 10 0 BCAERO C[C@@H]1CSC[C@@H]1[NH2+][C@@]1(CO)CCOC1 ZINC000306413972 176354412 /nfs/dbraw/zinc/35/44/12/176354412.db2.gz UUIJMLQYRPJUOW-KXUCPTDWSA-N 1 0 217.334 0.479 10 0 BCAERO C[C@@H]1CSC[C@H]1[NH2+]C[C@H]1CN(C)CCO1 ZINC000336670604 176356263 /nfs/dbraw/zinc/35/62/63/176356263.db2.gz FUHJQHJHWSAQMV-OUAUKWLOSA-N 1 0 230.377 0.658 10 0 BCAERO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCC[C@@H]2O)CN1C ZINC000089920307 176379731 /nfs/dbraw/zinc/37/97/31/176379731.db2.gz SWHWXBREZMEPNY-KKOKHZNYSA-N 1 0 212.337 0.972 10 0 BCAERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)Nc1cn[nH]c1 ZINC000335594278 176459329 /nfs/dbraw/zinc/45/93/29/176459329.db2.gz XMJQQXUUXIVENB-IONNQARKSA-N 1 0 208.265 0.736 10 0 BCAERO C[C@@]([NH3+])(C(=O)N1CCC(CO)CC1)C1CC1 ZINC000037478877 176510696 /nfs/dbraw/zinc/51/06/96/176510696.db2.gz UGIAFGHWILRLEH-LBPRGKRZSA-N 1 0 226.320 0.345 10 0 BCAERO C[C@H](CC[NH3+])N1C(=O)CC(C)(C)CC1=O ZINC000061824490 176627112 /nfs/dbraw/zinc/62/71/12/176627112.db2.gz DDMQRIKJUSAJOP-MRVPVSSYSA-N 1 0 212.293 0.899 10 0 BCAERO C[C@H]([NH3+])CC(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000037815467 176756039 /nfs/dbraw/zinc/75/60/39/176756039.db2.gz OAQIDLXIPLIIEF-DCAQKATOSA-N 1 0 226.320 0.894 10 0 BCAERO C[C@H]([NH3+])Cc1nc2ccccc2n1CCO ZINC000037900742 176762646 /nfs/dbraw/zinc/76/26/46/176762646.db2.gz IRJXDHSCONRXLB-VIFPVBQESA-N 1 0 219.288 0.918 10 0 BCAERO C[C@H]([NH3+])Cc1ccnc(-c2cnccn2)n1 ZINC000054834435 176762661 /nfs/dbraw/zinc/76/26/61/176762661.db2.gz JWFYAHGINMPYMH-QMMMGPOBSA-N 1 0 215.260 0.823 10 0 BCAERO C[C@H]([NH3+])[C@@](O)(c1cncnc1)C(F)(F)F ZINC000062784517 176768151 /nfs/dbraw/zinc/76/81/51/176768151.db2.gz WQOCZYFSYMPNMO-CAHLUQPWSA-N 1 0 221.182 0.574 10 0 BCAERO C[C@H](NC(=O)C[C@H]1CC[NH2+]C1)[C@@H]1CCCO1 ZINC000227713697 176795269 /nfs/dbraw/zinc/79/52/69/176795269.db2.gz CXVTZWMBWAAXEV-AXFHLTTASA-N 1 0 226.320 0.670 10 0 BCAERO C[C@H](NC(=O)[C@@H]1CCC[C@H](CC[NH3+])C1)C(N)=O ZINC000055147315 176808944 /nfs/dbraw/zinc/80/89/44/176808944.db2.gz FIRFSQHSOVDAJS-IVZWLZJFSA-N 1 0 241.335 0.132 10 0 BCAERO C[C@H]([NH2+]C1(CO)CCCC1)C(=O)N(C)C ZINC000053069884 176826682 /nfs/dbraw/zinc/82/66/82/176826682.db2.gz JIMNJSOMTZEJNJ-VIFPVBQESA-N 1 0 214.309 0.358 10 0 BCAERO C[C@H]([NH2+][C@@H](C)c1ccncc1)C(=O)NC(N)=O ZINC000035124146 176889871 /nfs/dbraw/zinc/88/98/71/176889871.db2.gz QJNCXZSRDZHGEP-YUMQZZPRSA-N 1 0 236.275 0.316 10 0 BCAERO C[C@H](O)[C@@H]([NH3+])c1nc2ccccc2n1CCO ZINC000037900701 177006593 /nfs/dbraw/zinc/00/65/93/177006593.db2.gz SYCOPVJSRSZLNJ-GZMMTYOYSA-N 1 0 235.287 0.409 10 0 BCAERO C[C@H](OC[C@H]1CCCC[NH2+]1)C(=O)N(C)C ZINC000051815710 177020924 /nfs/dbraw/zinc/02/09/24/177020924.db2.gz LAVNEXYIYBGCSO-VHSXEESVSA-N 1 0 214.309 0.622 10 0 BCAERO C[C@H](OC[C@H]1CC[NH2+]C1)C(=O)N1CCCC1 ZINC000051888174 177021945 /nfs/dbraw/zinc/02/19/45/177021945.db2.gz HKMFDPGXFIPKHL-QWRGUYRKSA-N 1 0 226.320 0.623 10 0 BCAERO C[C@H]([NH3+])c1ccc(O[C@@H](C)C(N)=O)cc1 ZINC000020419263 177022880 /nfs/dbraw/zinc/02/28/80/177022880.db2.gz OUNKBDGIISWARW-YUMQZZPRSA-N 1 0 208.261 0.959 10 0 BCAERO C[C@H]([NH3+])c1ccccc1O[C@@H](C)C(N)=O ZINC000020419422 177024646 /nfs/dbraw/zinc/02/46/46/177024646.db2.gz MOWDLTTXDOWDOB-YUMQZZPRSA-N 1 0 208.261 0.959 10 0 BCAERO C[C@H]([C@@H]1CCC[NH2+]C1)N1C(=O)CCCC1=O ZINC000035691745 177030597 /nfs/dbraw/zinc/03/05/97/177030597.db2.gz VOOASFDSTQCJBS-NXEZZACHSA-N 1 0 224.304 0.914 10 0 BCAERO C[C@H]([C@H]1CCC[NH2+]C1)N1C(=O)CCCC1=O ZINC000035691747 177031422 /nfs/dbraw/zinc/03/14/22/177031422.db2.gz VOOASFDSTQCJBS-ZJUUUORDSA-N 1 0 224.304 0.914 10 0 BCAERO C[C@H](c1ccncc1)N1C[C@H]([NH3+])CC1=O ZINC000043531691 177051600 /nfs/dbraw/zinc/05/16/00/177051600.db2.gz OCHVFGUFEZSTJL-PSASIEDQSA-N 1 0 205.261 0.702 10 0 BCAERO C[C@H](c1cnn(C)c1)N1CCC([NH3+])CC1 ZINC000044500871 177052082 /nfs/dbraw/zinc/05/20/82/177052082.db2.gz AQIGIXAPTQIFSY-SECBINFHSA-N 1 0 208.309 0.904 10 0 BCAERO C[C@@H]([NH3+])[C@H](c1ccccc1)N1CCNC(=O)[C@@H]1C ZINC000104136583 177060415 /nfs/dbraw/zinc/06/04/15/177060415.db2.gz ARWZUBUFEXSZBZ-NTZNESFSSA-N 1 0 247.342 0.895 10 0 BCAERO C[C@H]1CC(=O)N(CC[NH2+]C(C)(C)C)C1=O ZINC000104711900 177061426 /nfs/dbraw/zinc/06/14/26/177061426.db2.gz XJMHZMJCLPIFSA-QMMMGPOBSA-N 1 0 212.293 0.770 10 0 BCAERO C[C@@H]1CC([NH2+]CCOCCO)C[C@H](C)O1 ZINC000096033743 177065473 /nfs/dbraw/zinc/06/54/73/177065473.db2.gz NCSQGVIJZPJBPS-ZACCUICWSA-N 1 0 217.309 0.541 10 0 BCAERO C[C@H]1CCCC[N@@H+]1C[C@H](O)CN1CCCC1=O ZINC000111682883 177076916 /nfs/dbraw/zinc/07/69/16/177076916.db2.gz NQZBXRVPCXRLGY-RYUDHWBXSA-N 1 0 240.347 0.844 10 0 BCAERO C[C@@H]1CN[C@H](C(=O)N[C@H]2CCCC[C@@H]2C)C[NH2+]1 ZINC000062814021 177082174 /nfs/dbraw/zinc/08/21/74/177082174.db2.gz FNCZSTWOPUMVED-USZNOCQGSA-N 1 0 239.363 0.631 10 0 BCAERO C[C@H]1CCCC[C@]1(CO)[NH+]1CCNCC1 ZINC000038120539 177090257 /nfs/dbraw/zinc/09/02/57/177090257.db2.gz DDZSXBMDVJKMHJ-NWDGAFQWSA-N 1 0 212.337 0.833 10 0 BCAERO C[C@H]1CCCN(C(=O)CSCC[NH3+])C1 ZINC000037035672 177092104 /nfs/dbraw/zinc/09/21/04/177092104.db2.gz QPBDUBAXOQOHLE-VIFPVBQESA-N 1 0 216.350 0.937 10 0 BCAERO C[C@H]1CCCN1C(=O)CN1CCC[NH2+]CC1 ZINC000061272867 177106512 /nfs/dbraw/zinc/10/65/12/177106512.db2.gz BQOITOKHSQXYLA-NSHDSACASA-N 1 0 225.336 0.293 10 0 BCAERO C[C@H]1CCCN1S(=O)(=O)C1CC[NH2+]CC1 ZINC000049644227 177110644 /nfs/dbraw/zinc/11/06/44/177110644.db2.gz ISHMPQWEHAJSCQ-VIFPVBQESA-N 1 0 232.349 0.553 10 0 BCAERO C[C@H]1CCC[C@@H](C(=O)N2CCCOCC2)[NH2+]1 ZINC000061933205 177112543 /nfs/dbraw/zinc/11/25/43/177112543.db2.gz YHBMGMDOZPPEOF-QWRGUYRKSA-N 1 0 226.320 0.766 10 0 BCAERO C[C@H]1CCC[NH2+][C@@H]1C(=O)NCCn1cccn1 ZINC000051793631 177113142 /nfs/dbraw/zinc/11/31/42/177113142.db2.gz LANAIRBJVRXZEG-QWRGUYRKSA-N 1 0 236.319 0.387 10 0 BCAERO C[C@H]1CCC[C@@H](C(=O)NC[C@@H]2CCCO2)[NH2+]1 ZINC000019484725 177114187 /nfs/dbraw/zinc/11/41/87/177114187.db2.gz KDHGDUKFEMAHNH-DCAQKATOSA-N 1 0 226.320 0.812 10 0 BCAERO C[C@H]1CCC[C@@](CO)([NH+]2CCNCC2)C1 ZINC000038120547 177127526 /nfs/dbraw/zinc/12/75/26/177127526.db2.gz BSTHJHXVKRMGJB-NWDGAFQWSA-N 1 0 212.337 0.833 10 0 BCAERO C[C@H]1CCC[C@H](CNC(=O)NC2CC2)[NH2+]1 ZINC000054457142 177133198 /nfs/dbraw/zinc/13/31/98/177133198.db2.gz RSIQVQTWUPOUOE-WCBMZHEXSA-N 1 0 211.309 0.979 10 0 BCAERO C[C@H]1CCC[C@](CO)([NH2+]CC(=O)NC2CC2)C1 ZINC000053126733 177143887 /nfs/dbraw/zinc/14/38/87/177143887.db2.gz GQFKNUZNHMLYLS-GWCFXTLKSA-N 1 0 240.347 0.796 10 0 BCAERO C[C@H]1CCN(C(=O)[C@@H]2CCCO2)[C@H](C[NH3+])C1 ZINC000235638881 177152086 /nfs/dbraw/zinc/15/20/86/177152086.db2.gz XHDRXZLGLBJNLN-DCAQKATOSA-N 1 0 226.320 0.751 10 0 BCAERO C[C@H]1CCN(CCC(=O)N(C)C)[C@H](C[NH3+])C1 ZINC000082643387 177159578 /nfs/dbraw/zinc/15/95/78/177159578.db2.gz YIOAISQEVXRNIV-QWRGUYRKSA-N 1 0 227.352 0.524 10 0 BCAERO C[C@H]1CCN(CC[NH2+][C@@H]2CCS(=O)(=O)C2)C1 ZINC000053389565 177160467 /nfs/dbraw/zinc/16/04/67/177160467.db2.gz FDWRFXWVSRAKEE-WDEREUQCSA-N 1 0 246.376 0.105 10 0 BCAERO C[C@H]1CC[N@H+](Cc2nc3c(cnn3C)c(N)n2)C1 ZINC000063078339 177168150 /nfs/dbraw/zinc/16/81/50/177168150.db2.gz NBSPOSMBXLWACH-QMMMGPOBSA-N 1 0 246.318 0.787 10 0 BCAERO C[C@H]1CC[C@@H](C(=O)NC2CCC(O)CC2)C[NH2+]1 ZINC000019477119 177181288 /nfs/dbraw/zinc/18/12/88/177181288.db2.gz UJFDWLUKNURCDT-DMOGRIERSA-N 1 0 240.347 0.794 10 0 BCAERO C[C@H]1CC[C@@H](CN2C(=O)CCC2=O)C[NH2+]1 ZINC000062037665 177189076 /nfs/dbraw/zinc/18/90/76/177189076.db2.gz IZWNABBFIRMEGI-DTWKUNHWSA-N 1 0 210.277 0.524 10 0 BCAERO C[C@H]1CC[C@H](C(=O)N2CCn3ccnc3C2)C[NH2+]1 ZINC000062256678 177196325 /nfs/dbraw/zinc/19/63/25/177196325.db2.gz QQBPAHXLRDBEBM-QWRGUYRKSA-N 1 0 248.330 0.613 10 0 BCAERO C[C@H]1CC[C@H](C(=O)NCCn2cccn2)C[NH2+]1 ZINC000042542758 177197060 /nfs/dbraw/zinc/19/70/60/177197060.db2.gz YHESQMMJPZMOAL-QWRGUYRKSA-N 1 0 236.319 0.387 10 0 BCAERO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1[C@@H]1CCCC[C@@H]1N ZINC000042438595 177198029 /nfs/dbraw/zinc/19/80/29/177198029.db2.gz NCYUOIGLPBZHNU-FIQHERPVSA-N 1 0 239.363 0.842 10 0 BCAERO C[C@H]1CN(C(=O)C2=COCCO2)[C@@H](C)C[NH2+]1 ZINC000083118212 177213223 /nfs/dbraw/zinc/21/32/23/177213223.db2.gz XOOJTOSOKSLCTB-IUCAKERBSA-N 1 0 226.276 0.083 10 0 BCAERO C[C@H]1CN(C(=O)[C@H]([NH3+])c2ccccc2)CCN1C ZINC000104138637 177223617 /nfs/dbraw/zinc/22/36/17/177223617.db2.gz QPPSPDPCCTZQMP-WCQYABFASA-N 1 0 247.342 0.849 10 0 BCAERO C[C@@H](C(=O)N1CCO[C@@H](C)C1)C1C[NH2+]C1 ZINC000129030309 177223780 /nfs/dbraw/zinc/22/37/80/177223780.db2.gz NIGLLIUSHUWMMR-DTWKUNHWSA-N 1 0 212.293 0.089 10 0 BCAERO C[C@H]1CN(C(=O)[C@H]2C[C@@H]2C2CC2)CC[NH2+]1 ZINC000237768566 177224404 /nfs/dbraw/zinc/22/44/04/177224404.db2.gz NJBBLZDSMKVZPM-GDPRMGEGSA-N 1 0 208.305 0.853 10 0 BCAERO C[C@H]1CN(C(=O)c2ccc3c(c2)OCO3)C[C@H]1[NH3+] ZINC000235691302 177227437 /nfs/dbraw/zinc/22/74/37/177227437.db2.gz CQAFDZBOBKIZLH-WCBMZHEXSA-N 1 0 248.282 0.835 10 0 BCAERO C[C@H]1CN(C(=O)c2cccn2C)C[C@H]1[NH3+] ZINC000235668374 177228507 /nfs/dbraw/zinc/22/85/07/177228507.db2.gz MHISROBBPMLFPQ-DTWKUNHWSA-N 1 0 207.277 0.444 10 0 BCAERO C[C@H]1CN(C(=O)c2cncc(O)c2)CC[NH2+]1 ZINC000083814261 177230559 /nfs/dbraw/zinc/23/05/59/177230559.db2.gz CICJFJCWAMTZLZ-QMMMGPOBSA-N 1 0 221.260 0.221 10 0 BCAERO C[C@H]1CN(CCCCCO)[C@@H](C)C[NH2+]1 ZINC000083118684 177248462 /nfs/dbraw/zinc/24/84/62/177248462.db2.gz HYZPFLPSNAEBKB-QWRGUYRKSA-N 1 0 200.326 0.831 10 0 BCAERO C[C@H]1CN(CCc2cnn(C)c2)C[C@H]1[NH3+] ZINC000300048430 177256716 /nfs/dbraw/zinc/25/67/16/177256716.db2.gz JTGDJMIRGWMQBV-GXSJLCMTSA-N 1 0 208.309 0.242 10 0 BCAERO C[C@H]1CN(S(=O)(=O)CCC2(C)CC2)C[C@@H]1[NH3+] ZINC000334978951 177273030 /nfs/dbraw/zinc/27/30/30/177273030.db2.gz AMIMENJRUCCAMF-UWVGGRQHSA-N 1 0 246.376 0.785 10 0 BCAERO C[C@@H](C(=O)NC(C)(C)C)N1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000070078135 177273837 /nfs/dbraw/zinc/27/38/37/177273837.db2.gz JWADKVPBKWZJSO-DCAQKATOSA-N 1 0 241.379 0.972 10 0 BCAERO C[C@@H]1CN([C@]2(C[NH3+])CCSC2)C[C@H](C)O1 ZINC000019482928 177276714 /nfs/dbraw/zinc/27/67/14/177276714.db2.gz ZTJQXRSNDHYJAC-AXFHLTTASA-N 1 0 230.377 0.930 10 0 BCAERO C[C@H]1CN(c2ccc(C[NH3+])nn2)CCCO1 ZINC000061935285 177277242 /nfs/dbraw/zinc/27/72/42/177277242.db2.gz OHKDQFARTIRUNU-VIFPVBQESA-N 1 0 222.292 0.551 10 0 BCAERO C[C@H]1CN(c2nccnc2C[NH3+])CCCO1 ZINC000061912739 177278974 /nfs/dbraw/zinc/27/89/74/177278974.db2.gz NOXCCZAMDRYMAK-VIFPVBQESA-N 1 0 222.292 0.551 10 0 BCAERO C[C@H]1CN(c2nnnn2-c2ccccc2)CC[NH2+]1 ZINC000052783334 177279449 /nfs/dbraw/zinc/27/94/49/177279449.db2.gz OGLYOVDQOMVPKT-JTQLQIEISA-N 1 0 244.302 0.460 10 0 BCAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(C)(C)O ZINC000300014537 177280498 /nfs/dbraw/zinc/28/04/98/177280498.db2.gz NSGCYECRCUNKNE-UWVGGRQHSA-N 1 0 226.320 0.452 10 0 BCAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1CC(C)(C)O ZINC000082699236 177281022 /nfs/dbraw/zinc/28/10/22/177281022.db2.gz WYUBIFVZIHVNGK-WDEREUQCSA-N 1 0 212.337 0.926 10 0 BCAERO C[C@H]1C[NH2+]CCN1CC(=O)c1ccncc1 ZINC000067799757 177283831 /nfs/dbraw/zinc/28/38/31/177283831.db2.gz OBJZPEZWGJFBKU-JTQLQIEISA-N 1 0 219.288 0.558 10 0 BCAERO C[C@@H](C(=O)NC(C)(C)C)N1CC[NH2+]C[C@@H]1C ZINC000054374352 177284709 /nfs/dbraw/zinc/28/47/09/177284709.db2.gz BPUDIJFLYUISRD-UWVGGRQHSA-N 1 0 227.352 0.583 10 0 BCAERO C[C@H]1C[NH2+]C[C@@H]1C(=O)Nc1ccccc1CO ZINC000104205029 177285932 /nfs/dbraw/zinc/28/59/32/177285932.db2.gz YFIYPOOBUOWYBO-ONGXEEELSA-N 1 0 234.299 0.973 10 0 BCAERO C[C@H]1COCCN1[C@@H](C[NH3+])c1ccccn1 ZINC000035774328 177293318 /nfs/dbraw/zinc/29/33/18/177293318.db2.gz OLTVJMDWVCKOAH-JQWIXIFHSA-N 1 0 221.304 0.802 10 0 BCAERO C[C@H]1COCCN1[C@@H](C[NH3+])c1cccnc1 ZINC000035774520 177293591 /nfs/dbraw/zinc/29/35/91/177293591.db2.gz GPSKMLOJLDCYJF-JQWIXIFHSA-N 1 0 221.304 0.802 10 0 BCAERO C[C@@H]1COC[C@H](C)N1C(=O)CCC[NH3+] ZINC000237634699 177297799 /nfs/dbraw/zinc/29/77/99/177297799.db2.gz OPMLFYYRKBJLES-DTORHVGOSA-N 1 0 200.282 0.361 10 0 BCAERO C[C@@H]1COC[C@H](C)N1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000336714691 177297839 /nfs/dbraw/zinc/29/78/39/177297839.db2.gz PHHYNWRDVBRIFC-LOWVWBTDSA-N 1 0 242.363 0.551 10 0 BCAERO C[C@H]1CSC(NC[C@H]2CCS(=O)(=O)C2)=[NH+]1 ZINC000050602984 177303469 /nfs/dbraw/zinc/30/34/69/177303469.db2.gz GGGRPHWSMGSQLP-JGVFFNPUSA-N 1 0 248.373 0.502 10 0 BCAERO C[C@@H](C(=O)N1CCSC[C@@H]1C)C1C[NH2+]C1 ZINC000129256556 177305278 /nfs/dbraw/zinc/30/52/78/177305278.db2.gz OSKPVJZUSPHUMS-DTWKUNHWSA-N 1 0 228.361 0.806 10 0 BCAERO C[C@H]1C[C@@H]([NH3+])CC[C@@H]1C(=O)NCCCC(N)=O ZINC000055130574 177327433 /nfs/dbraw/zinc/32/74/33/177327433.db2.gz DVGLZKJXEFHEAG-GUBZILKMSA-N 1 0 241.335 0.132 10 0 BCAERO C[C@H]1C[C@@H](NC(=O)N2CCCC2)C[N@@H+]1C ZINC000199937780 177328261 /nfs/dbraw/zinc/32/82/61/177328261.db2.gz AZBFJBJXUQUQLF-VHSXEESVSA-N 1 0 211.309 0.884 10 0 BCAERO C[C@H]1C[C@@H]1NS(=O)(=O)C1CC[NH2+]CC1 ZINC000052295970 177350380 /nfs/dbraw/zinc/35/03/80/177350380.db2.gz WSEPJMZQHICJFU-CBAPKCEASA-N 1 0 218.322 0.066 10 0 BCAERO C[C@H]1C[C@H]1NS(=O)(=O)c1ccccc1C[NH3+] ZINC000052287438 177386117 /nfs/dbraw/zinc/38/61/17/177386117.db2.gz JDLXQJIGDNHGNV-WCBMZHEXSA-N 1 0 240.328 0.832 10 0 BCAERO C[C@H]1NC(=O)CC[C@@H]1[NH2+]Cc1ccc(F)cn1 ZINC000282210536 177393446 /nfs/dbraw/zinc/39/34/46/177393446.db2.gz DIOMRHMEMCESSM-KCJUWKMLSA-N 1 0 237.278 0.977 10 0 BCAERO C[C@H]1[NH2+]CCC[C@@H]1NS(=O)(=O)CCCF ZINC000193452343 177394946 /nfs/dbraw/zinc/39/49/46/177394946.db2.gz OTSXHKBVOYHGKR-BDAKNGLRSA-N 1 0 238.328 0.406 10 0 BCAERO C[C@H]1[NH2+]CCC[C@@H]1C(=O)NCC1(C)COC1 ZINC000335593302 177395199 /nfs/dbraw/zinc/39/51/99/177395199.db2.gz BFRFFQNJITVBHO-ZJUUUORDSA-N 1 0 226.320 0.527 10 0 BCAERO C[C@H]1[NH2+]CCC[C@H]1NC(=O)Nc1ccnnc1 ZINC000333373362 177395884 /nfs/dbraw/zinc/39/58/84/177395884.db2.gz VKZPZXRTDYIRRG-PSASIEDQSA-N 1 0 235.291 0.739 10 0 BCAERO C[C@H]1OCCN(C(=O)[C@@H]2CC[NH2+]C2)[C@H]1C ZINC000125333454 177416784 /nfs/dbraw/zinc/41/67/84/177416784.db2.gz GZXLZDTTXRPKRJ-IVZWLZJFSA-N 1 0 212.293 0.232 10 0 BCAERO C[C@]([NH3+])(C(=O)NC1(CO)CCCC1)C1CC1 ZINC000053072059 177443949 /nfs/dbraw/zinc/44/39/49/177443949.db2.gz QXSFBKXGXGNVMI-LLVKDONJSA-N 1 0 226.320 0.535 10 0 BCAERO C[C@]([NH3+])(C(N)=O)c1ccc(F)c(F)c1 ZINC000037460029 177443951 /nfs/dbraw/zinc/44/39/51/177443951.db2.gz XNHKIAWHFHOCLS-SECBINFHSA-N 1 0 200.188 0.624 10 0 BCAERO C[C@]1([NH2+]Cc2ccc[nH]2)CCS(=O)(=O)C1 ZINC000051788380 177470715 /nfs/dbraw/zinc/47/07/15/177470715.db2.gz CJCDTDHBZBRJAW-JTQLQIEISA-N 1 0 228.317 0.682 10 0 BCAERO CC(C)([NH3+])c1cn(CC(=O)N2CCCC2)nn1 ZINC000070118740 487639310 /nfs/dbraw/zinc/63/93/10/487639310.db2.gz QCLRYVTWZDCGBZ-UHFFFAOYSA-N 1 0 237.307 0.094 10 0 BCAERO C[C@H](O)CCC[N@@H+]1CC[C@@H](N(C)C)C1 ZINC000220140748 487647230 /nfs/dbraw/zinc/64/72/30/487647230.db2.gz FWCJPQGOUSKYHG-WDEREUQCSA-N 1 0 200.326 0.783 10 0 BCAERO CO[C@@H](C[N@@H+]1C[C@H](OC)C[C@H]1CO)C1CC1 ZINC000400166074 226332806 /nfs/dbraw/zinc/33/28/06/226332806.db2.gz JDWWFBDAMDZVPB-TUAOUCFPSA-N 1 0 229.320 0.493 10 0 BCAERO CO[C@H](C[NH2+][C@@H]1CCC(=O)N[C@@H]1C)C1CC1 ZINC000400272411 226339236 /nfs/dbraw/zinc/33/92/36/226339236.db2.gz NDTUGYMKBXGICO-FBIMIBRVSA-N 1 0 226.320 0.668 10 0 BCAERO Cc1cnn(CCN[C@H](C)[C@H]2CCC[NH2+]2)c1 ZINC000400483602 226344564 /nfs/dbraw/zinc/34/45/64/226344564.db2.gz CRGBVLARAHNMJU-VXGBXAGGSA-N 1 0 222.336 0.922 10 0 BCAERO C[C@H]1C[C@H](O)C[N@H+](CCCCCO)C1 ZINC000401569165 226359738 /nfs/dbraw/zinc/35/97/38/226359738.db2.gz CYLAMBSLWCBLKB-QWRGUYRKSA-N 1 0 201.310 0.852 10 0 BCAERO C[C@H](C(=O)N(C)C)[N@@H+]1C[C@H](C)C[C@H](O)C1 ZINC000401778866 226362197 /nfs/dbraw/zinc/36/21/97/226362197.db2.gz AJZKQQRCOQIYKD-BBBLOLIVSA-N 1 0 214.309 0.166 10 0 BCAERO C[C@@H](O)C[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000300216469 226368794 /nfs/dbraw/zinc/36/87/94/226368794.db2.gz QAFNPPUNRXUSJO-GRYCIOLGSA-N 1 0 213.321 0.994 10 0 BCAERO Cc1csc(Cn2cc(C[NH3+])nn2)n1 ZINC000087396394 487655125 /nfs/dbraw/zinc/65/51/25/487655125.db2.gz JNDXEWQWGIBAHU-UHFFFAOYSA-N 1 0 209.278 0.550 10 0 BCAERO C[C@@H]1CO[C@H](CO)C[N@@H+]1C[C@H]1CCC[C@H](O)C1 ZINC000383668493 487660645 /nfs/dbraw/zinc/66/06/45/487660645.db2.gz LEKJORWGTOEPOM-VOAKCMCISA-N 1 0 243.347 0.619 10 0 BCAERO CC(C)[C@H](O)C[N@@H+]1CC[C@H](N(C)C)C1 ZINC000087538675 487667142 /nfs/dbraw/zinc/66/71/42/487667142.db2.gz PHHXBPTUVWMXRD-WDEREUQCSA-N 1 0 200.326 0.639 10 0 BCAERO C[C@H]1CN(CCCc2cncn2C)C[C@H]1[NH3+] ZINC000314925464 487669664 /nfs/dbraw/zinc/66/96/64/487669664.db2.gz QBBBQMYRKUNPEO-CMPLNLGQSA-N 1 0 222.336 0.632 10 0 BCAERO C[NH2+][C@H](C)C(=O)N[C@H]1CCCc2c1cnn2C ZINC000054074287 487681104 /nfs/dbraw/zinc/68/11/04/487681104.db2.gz OJDLLVDXYOBNIP-SCZZXKLOSA-N 1 0 236.319 0.522 10 0 BCAERO CCn1ccc(=NC(=O)CC[C@H]2CCC[NH2+]2)[nH]1 ZINC000383919189 487680996 /nfs/dbraw/zinc/68/09/96/487680996.db2.gz ZIPFCILJKVJGKO-SNVBAGLBSA-N 1 0 236.319 0.796 10 0 BCAERO NC(=O)C1CC[NH+](C[C@H]2CCC[C@@H](O)C2)CC1 ZINC000383937941 487682036 /nfs/dbraw/zinc/68/20/36/487682036.db2.gz UNZXAGILTHYYGZ-CMPLNLGQSA-N 1 0 240.347 0.735 10 0 BCAERO C[NH2+][C@H](C)C(=O)NCC[C@H]1CCCO1 ZINC000054075696 487683723 /nfs/dbraw/zinc/68/37/23/487683723.db2.gz WKAMAGIFMFJJSF-RKDXNWHRSA-N 1 0 200.282 0.280 10 0 BCAERO CN(CC1=CCCOC1)C(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000662662264 487687717 /nfs/dbraw/zinc/68/77/17/487687717.db2.gz OTKANKVURDHRIO-NEPJUHHUSA-N 1 0 238.331 0.919 10 0 BCAERO [NH3+]Cc1cn(CCc2ccc3c(c2)CCO3)nn1 ZINC000088106071 487703370 /nfs/dbraw/zinc/70/33/70/487703370.db2.gz UZDZGFWWRSXEJV-UHFFFAOYSA-N 1 0 244.298 0.914 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)NC[C@@H]2CCCC[NH2+]2)O1 ZINC000088140818 487705187 /nfs/dbraw/zinc/70/51/87/487705187.db2.gz YAWRNCGWJMOXDL-OUAUKWLOSA-N 1 0 226.320 0.812 10 0 BCAERO C[C@@H]1C[N@@H+]([C@@H]2CCC[C@H]2O)C[C@@H]1N(C)C ZINC000226289708 487709233 /nfs/dbraw/zinc/70/92/33/487709233.db2.gz RNIYSQUPAPOXBN-WISYIIOYSA-N 1 0 212.337 0.782 10 0 BCAERO CC(C)[C@@H]([NH3+])CC(=O)N(C)[C@@H]1CCOC1 ZINC000134689497 487711479 /nfs/dbraw/zinc/71/14/79/487711479.db2.gz NDHAXZVMGHJBKT-ZJUUUORDSA-N 1 0 214.309 0.607 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N1CC[C@@H]2CCCC[C@@H]21 ZINC000134820114 487712517 /nfs/dbraw/zinc/71/25/17/487712517.db2.gz SLBJSXRCHQFQOS-AXFHLTTASA-N 1 0 226.320 0.751 10 0 BCAERO O=C1C[C@@H]([NH2+]Cc2ccccn2)CCCN1 ZINC000082667157 487713278 /nfs/dbraw/zinc/71/32/78/487713278.db2.gz MQCLRCLCDORVDX-JTQLQIEISA-N 1 0 219.288 0.840 10 0 BCAERO CCC[C@H]1C[C@H]1NC(=O)c1cn(CC[NH3+])nn1 ZINC000233390723 487713363 /nfs/dbraw/zinc/71/33/63/487713363.db2.gz QIXZYUYVPNVVQZ-DTWKUNHWSA-N 1 0 237.307 0.155 10 0 BCAERO C[C@H]([NH3+])CNc1ncc(Br)cn1 ZINC000082662526 487714378 /nfs/dbraw/zinc/71/43/78/487714378.db2.gz BAPYKTBRRZJXPL-YFKPBYRVSA-N 1 0 231.097 0.998 10 0 BCAERO C[C@@H]1C[C@@H]1NC(=O)COC1CC[NH2+]CC1 ZINC000082665933 487715263 /nfs/dbraw/zinc/71/52/63/487715263.db2.gz XTQJTLHNCYSIIH-SCZZXKLOSA-N 1 0 212.293 0.280 10 0 BCAERO C[C@H](NC(=O)COC1(C)C[NH2+]C1)[C@H]1CCCO1 ZINC000098061030 487719429 /nfs/dbraw/zinc/71/94/29/487719429.db2.gz XQICHHQWCMHRSU-VHSXEESVSA-N 1 0 242.319 0.049 10 0 BCAERO C[C@H]1[NH2+]CCC[C@H]1C(=O)NCCCCO ZINC000384556593 487726066 /nfs/dbraw/zinc/72/60/66/487726066.db2.gz OIBOVZRRSHVLCA-NXEZZACHSA-N 1 0 214.309 0.263 10 0 BCAERO Cc1ccc(NC(=O)[C@@H]2C[NH2+]CCOC2)c(C)n1 ZINC000649301712 487728321 /nfs/dbraw/zinc/72/83/21/487728321.db2.gz PWVOEZBISYIYEM-LLVKDONJSA-N 1 0 249.314 0.873 10 0 BCAERO CC(C)([NH3+])CCC(=O)NCC1(C)COC1 ZINC000087197837 487730161 /nfs/dbraw/zinc/73/01/61/487730161.db2.gz SSQJQYRPDCQAQB-UHFFFAOYSA-N 1 0 214.309 0.657 10 0 BCAERO CC(C)([NH3+])CC(=O)NCC[C@@H]1CCCO1 ZINC000082772124 487730497 /nfs/dbraw/zinc/73/04/97/487730497.db2.gz LOBXUCUEPBPPES-VIFPVBQESA-N 1 0 214.309 0.799 10 0 BCAERO [NH3+]C[C@H]1CCN(C(=O)[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000250839083 487743506 /nfs/dbraw/zinc/74/35/06/487743506.db2.gz LOESSFLCUHJRRT-CHWFTXMASA-N 1 0 208.305 0.840 10 0 BCAERO Cc1occc1CN(C)C(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000042449912 487746555 /nfs/dbraw/zinc/74/65/55/487746555.db2.gz UUYGKUSMEAOCOA-GHMZBOCLSA-N 1 0 238.287 0.269 10 0 BCAERO [NH3+][C@@H]1CC[C@@H](C(=O)NCC[C@H]2CCCO2)C1 ZINC000251102346 487748485 /nfs/dbraw/zinc/74/84/85/487748485.db2.gz KBHGGZSHLGQMIO-GMTAPVOTSA-N 1 0 226.320 0.799 10 0 BCAERO O=C(N[C@H]1CCC[C@H](O)C1)[C@H]1CCC[NH2+]1 ZINC000157543935 487756864 /nfs/dbraw/zinc/75/68/64/487756864.db2.gz FUCGFLITDNYGND-LPEHRKFASA-N 1 0 212.293 0.158 10 0 BCAERO O=C(C[C@@H]1CCC[NH2+]C1)NC[C@H]1CCC[C@H]1O ZINC000089170067 487765237 /nfs/dbraw/zinc/76/52/37/487765237.db2.gz BNBFMPULSVWQTB-QJPTWQEYSA-N 1 0 240.347 0.653 10 0 BCAERO CCc1nn(C)cc1C(=O)NC[C@H](C)[NH2+]C ZINC000234162264 487766072 /nfs/dbraw/zinc/76/60/72/487766072.db2.gz WTXYALBJMDEWLJ-QMMMGPOBSA-N 1 0 224.308 0.320 10 0 BCAERO C[C@@H](O)CCNC(=O)CC[NH2+]C1CC1 ZINC000082996233 487769147 /nfs/dbraw/zinc/76/91/47/487769147.db2.gz KTGRKQBRZCGYEA-MRVPVSSYSA-N 1 0 200.282 0.016 10 0 BCAERO CC(C)([NH3+])CC(=O)NC[C@@H]1CCCC[C@@H]1O ZINC000082995064 487768985 /nfs/dbraw/zinc/76/89/85/487768985.db2.gz BXBGLKARDZAAMB-UWVGGRQHSA-N 1 0 228.336 0.781 10 0 BCAERO CCn1nc(C)cc1C(=O)NC[C@H](C)[NH2+]C ZINC000234203713 487770959 /nfs/dbraw/zinc/77/09/59/487770959.db2.gz IBNILTQRCZFCPB-VIFPVBQESA-N 1 0 224.308 0.549 10 0 BCAERO CO[C@H](C)C(=O)N(C)[C@@H](C[NH3+])C(F)(F)F ZINC000662981077 487783423 /nfs/dbraw/zinc/78/34/23/487783423.db2.gz BOASWJURASAKHA-RITPCOANSA-N 1 0 228.214 0.369 10 0 BCAERO CC[C@@H]1COCCN1C(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000251809071 487801072 /nfs/dbraw/zinc/80/10/72/487801072.db2.gz OLXSSOZEQXGUOH-QJPTWQEYSA-N 1 0 240.347 0.999 10 0 BCAERO CNC(=O)[C@@H](C)CN(C)C(=O)C[C@H]([NH3+])C(C)C ZINC000234342762 487803977 /nfs/dbraw/zinc/80/39/77/487803977.db2.gz OPCXEDBWCYYATP-UWVGGRQHSA-N 1 0 243.351 0.200 10 0 BCAERO [NH3+]C1CCC(C(=O)NCCOCCF)CC1 ZINC000663005882 487805132 /nfs/dbraw/zinc/80/51/32/487805132.db2.gz ZEFNYPZRNTVCQN-UHFFFAOYSA-N 1 0 232.299 0.606 10 0 BCAERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)NCCOCCF ZINC000663005837 487805258 /nfs/dbraw/zinc/80/52/58/487805258.db2.gz YFRYYMXRTMWWIS-VHSXEESVSA-N 1 0 232.299 0.477 10 0 BCAERO CC1(C)CN(C(=O)[C@H]2CCC[C@H]2C[NH3+])CCO1 ZINC000089451150 487816312 /nfs/dbraw/zinc/81/63/12/487816312.db2.gz NDAPPDBUKKGCLZ-QWRGUYRKSA-N 1 0 240.347 0.999 10 0 BCAERO COC1CCN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000089450491 487817852 /nfs/dbraw/zinc/81/78/52/487817852.db2.gz MLMMWIJXCDNTTK-ZYHUDNBSSA-N 1 0 240.347 0.999 10 0 BCAERO COC1CCN(C(=O)[C@H]2CCC[C@H]2C[NH3+])CC1 ZINC000089450498 487817492 /nfs/dbraw/zinc/81/74/92/487817492.db2.gz MLMMWIJXCDNTTK-JQWIXIFHSA-N 1 0 240.347 0.999 10 0 BCAERO CCNC(=O)[C@H](C)NC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089450908 487818487 /nfs/dbraw/zinc/81/84/87/487818487.db2.gz FSKDZUZKXQILLU-AEJSXWLSSA-N 1 0 241.335 0.002 10 0 BCAERO [NH3+]C[C@H]1CCC[C@@H]1C(=O)NCCn1ccnc1 ZINC000089460282 487822436 /nfs/dbraw/zinc/82/24/36/487822436.db2.gz ZDWMLPKRQGQDAX-MNOVXSKESA-N 1 0 236.319 0.374 10 0 BCAERO COCCOCCNC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089460996 487824013 /nfs/dbraw/zinc/82/40/13/487824013.db2.gz ZGYHSEHIVTVNNP-GHMZBOCLSA-N 1 0 244.335 0.141 10 0 BCAERO C[NH2+][C@H](C)CNC(=O)CC[C@H](C)OC ZINC000234427115 487825910 /nfs/dbraw/zinc/82/59/10/487825910.db2.gz DXVWEWKORDLXNS-BDAKNGLRSA-N 1 0 202.298 0.526 10 0 BCAERO CCN(C)S(=O)(=O)C[C@H]([NH3+])C(C)(C)C ZINC000757149278 586428932 /nfs/dbraw/zinc/42/89/32/586428932.db2.gz AOIPILIIKWARTK-QMMMGPOBSA-N 1 0 222.354 0.641 10 0 BCAERO CC(C)[C@@H]([NH3+])CS(=O)(=O)N1CCC1 ZINC000757153104 586429573 /nfs/dbraw/zinc/42/95/73/586429573.db2.gz NDXHCEQQQFYMOG-QMMMGPOBSA-N 1 0 206.311 0.005 10 0 BCAERO COC1(CC(=O)N2C[C@H]([NH3+])[C@@H](C)C2)CCC1 ZINC000234587908 487841632 /nfs/dbraw/zinc/84/16/32/487841632.db2.gz HAPKPGJYVQFQIN-UWVGGRQHSA-N 1 0 226.320 0.751 10 0 BCAERO Cc1cnc(NCCOCCC[NH3+])nc1 ZINC000630537044 487841107 /nfs/dbraw/zinc/84/11/07/487841107.db2.gz IEFBBYLNXPRBEA-UHFFFAOYSA-N 1 0 210.281 0.562 10 0 BCAERO CO[C@H](C(=O)N1CC[C@@H]([NH3+])[C@H]1C)C1CCC1 ZINC000659314904 487852029 /nfs/dbraw/zinc/85/20/29/487852029.db2.gz MQHVVRKIDPXRIA-IEBDPFPHSA-N 1 0 226.320 0.750 10 0 BCAERO C[C@]1(NC(=O)[C@H]2CCC[NH2+]C2)CCOC1 ZINC000119130485 487857620 /nfs/dbraw/zinc/85/76/20/487857620.db2.gz PEUDXSUJWJITNM-ONGXEEELSA-N 1 0 212.293 0.281 10 0 BCAERO C[C@H](C(=O)N[C@@H]1CCC[NH2+][C@H]1C)n1cncn1 ZINC000253195274 487857804 /nfs/dbraw/zinc/85/78/04/487857804.db2.gz PZWGEQLPTQIXBT-IVZWLZJFSA-N 1 0 237.307 0.096 10 0 BCAERO O=C(C[NH2+][C@H]1CO[C@H](C2CC2)C1)NC1CC1 ZINC000668172874 487862342 /nfs/dbraw/zinc/86/23/42/487862342.db2.gz VNYHMDPYFLYWGL-MNOVXSKESA-N 1 0 224.304 0.422 10 0 BCAERO O=C(C[NH2+][C@@H]1CO[C@H](C2CC2)C1)NC1CC1 ZINC000668172875 487862705 /nfs/dbraw/zinc/86/27/05/487862705.db2.gz VNYHMDPYFLYWGL-QWRGUYRKSA-N 1 0 224.304 0.422 10 0 BCAERO CN(Cc1cn[nH]c1)C[C@H]1CC[N@H+](C)C1 ZINC000681919633 487868030 /nfs/dbraw/zinc/86/80/30/487868030.db2.gz DVNZSEFRCPWTAO-JTQLQIEISA-N 1 0 208.309 0.793 10 0 BCAERO COC[C@@H](NC(=O)[C@@H]1C[NH2+]C[C@H]1C)C(C)C ZINC000234720060 487868055 /nfs/dbraw/zinc/86/80/55/487868055.db2.gz DPVPZPVIXNKQED-GMTAPVOTSA-N 1 0 228.336 0.629 10 0 BCAERO COCCOC[C@@H](O)C[NH2+][C@H](C)C(C)C ZINC000234747106 487870536 /nfs/dbraw/zinc/87/05/36/487870536.db2.gz GLKULFWLOOQDAE-MNOVXSKESA-N 1 0 219.325 0.644 10 0 BCAERO CCC[C@@H]1C[C@H]1[NH2+]CCS(C)(=O)=O ZINC000233306322 642659679 /nfs/dbraw/zinc/65/96/79/642659679.db2.gz HHSQMNBWUPIVFO-RKDXNWHRSA-N 1 0 205.323 0.809 10 0 BCAERO CO[C@H]1CCN(C(=O)[C@H]2CCC[C@@H]2C[NH3+])C1 ZINC000234804695 487880720 /nfs/dbraw/zinc/88/07/20/487880720.db2.gz NEHAQAJGWAABQX-VWYCJHECSA-N 1 0 226.320 0.609 10 0 BCAERO CC[C@@](C)(O)C[N@H+](C)C[C@@H](O)C1CC1 ZINC000682028795 487882658 /nfs/dbraw/zinc/88/26/58/487882658.db2.gz CCUKVHNEYUPYLN-GHMZBOCLSA-N 1 0 201.310 0.850 10 0 BCAERO CCc1cc(C(=O)N2CCC[C@@H]2C[NH3+])n(C)n1 ZINC000090127970 487905656 /nfs/dbraw/zinc/90/56/56/487905656.db2.gz HBTXYLFFVXTFCL-SNVBAGLBSA-N 1 0 236.319 0.546 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)N[C@H]2CCC[NH2+]C2)O1 ZINC000164922258 487908511 /nfs/dbraw/zinc/90/85/11/487908511.db2.gz CTDLGIVTOLHGFS-KXUCPTDWSA-N 1 0 212.293 0.422 10 0 BCAERO CC[C@@](C)(O)Cn1cc(C(C)(C)[NH3+])nn1 ZINC000229424448 487914182 /nfs/dbraw/zinc/91/41/82/487914182.db2.gz IKFNIFRWVQUZSV-SNVBAGLBSA-N 1 0 212.297 0.633 10 0 BCAERO CCC[C@H](O)CNC(=O)C1CCC([NH3+])CC1 ZINC000157622433 487915821 /nfs/dbraw/zinc/91/58/21/487915821.db2.gz NXRPSHJGPFFLCB-ILDUYXDCSA-N 1 0 228.336 0.781 10 0 BCAERO CC(C)[C@@H]([NH3+])CC(=O)N[C@]1(C)CCOC1 ZINC000229462404 487915986 /nfs/dbraw/zinc/91/59/86/487915986.db2.gz XPDYLNPMTKFVRB-GXSJLCMTSA-N 1 0 214.309 0.655 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)N[C@@]1(C)CCOC1 ZINC000229462394 487916068 /nfs/dbraw/zinc/91/60/68/487916068.db2.gz XPDYLNPMTKFVRB-KOLCDFICSA-N 1 0 214.309 0.655 10 0 BCAERO O=C(NC[C@H]1CCCC[C@H]1O)[C@H]1CCC[NH2+]1 ZINC000157728354 487918629 /nfs/dbraw/zinc/91/86/29/487918629.db2.gz FJZCHQYSUKAIJS-GMTAPVOTSA-N 1 0 226.320 0.406 10 0 BCAERO CN(C)[C@@H]1CC[N@H+](CC2(O)CCCC2)C1 ZINC000083588071 487921970 /nfs/dbraw/zinc/92/19/70/487921970.db2.gz JVBRAPYDHFHVNJ-LLVKDONJSA-N 1 0 212.337 0.927 10 0 BCAERO CCc1nsc(N2CC[C@@H](C[NH3+])C2)n1 ZINC000083670268 487926314 /nfs/dbraw/zinc/92/63/14/487926314.db2.gz XDFFHTSOQOUANT-ZETCQYMHSA-N 1 0 212.322 0.886 10 0 BCAERO Cc1nccc(C(=O)N[C@H]2CCC[C@H]2C[NH3+])n1 ZINC000157885268 487927930 /nfs/dbraw/zinc/92/79/30/487927930.db2.gz ZXXDGOMTJUVRJZ-UWVGGRQHSA-N 1 0 234.303 0.642 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@H]1CCC[C@@H]1O ZINC000235291756 487940918 /nfs/dbraw/zinc/94/09/18/487940918.db2.gz HFQNBJGBSHMTES-DBIOUOCHSA-N 1 0 226.320 0.119 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@@H]1CCO[C@H]1C ZINC000235295561 487941162 /nfs/dbraw/zinc/94/11/62/487941162.db2.gz SKJIWSQTYLYIHD-UTINFBMNSA-N 1 0 212.293 0.136 10 0 BCAERO C[NH2+][C@@H]1CCCN(Cc2nnnn2C(C)C)C1 ZINC000569605593 322972497 /nfs/dbraw/zinc/97/24/97/322972497.db2.gz ORJHLNAFCQKOGM-SNVBAGLBSA-N 1 0 238.339 0.438 10 0 BCAERO CS[C@H](C)CNC(=O)[C@@]1(C)CCC[NH2+]1 ZINC000157948957 323012664 /nfs/dbraw/zinc/01/26/64/323012664.db2.gz YDXQPVIIYORCTQ-PSASIEDQSA-N 1 0 216.350 0.996 10 0 BCAERO C[C@@H]1CCCN1C(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000131241106 323012788 /nfs/dbraw/zinc/01/27/88/323012788.db2.gz YKRCSILRNAYPHQ-LLVKDONJSA-N 1 0 239.363 0.681 10 0 BCAERO CCN(CC(=O)OC)C(=O)C[C@H]1CCC[NH2+]C1 ZINC000570105699 323050047 /nfs/dbraw/zinc/05/00/47/323050047.db2.gz BGNCVPQDWBNSIO-SNVBAGLBSA-N 1 0 242.319 0.398 10 0 BCAERO CC(C)(C(=O)N[C@@H]1CC12CC2)N1CC[NH2+]CC1 ZINC000570681114 323066783 /nfs/dbraw/zinc/06/67/83/323066783.db2.gz BTVBOMIFQYMZBF-SNVBAGLBSA-N 1 0 237.347 0.339 10 0 BCAERO CCC1(C(=O)N2CC[C@H]3OCC[NH2+][C@@H]3C2)CC1 ZINC000403977171 323092074 /nfs/dbraw/zinc/09/20/74/323092074.db2.gz DPJPZHOXVVNYHM-GHMZBOCLSA-N 1 0 238.331 0.766 10 0 BCAERO Cn1cccc1C(=O)N1CC[C@H]2OCC[NH2+][C@@H]2C1 ZINC000403993579 323094080 /nfs/dbraw/zinc/09/40/80/323094080.db2.gz KCTKHHFRYBEQRU-ZYHUDNBSSA-N 1 0 249.314 0.228 10 0 BCAERO Cn1cccc1C(=O)N1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC000403993577 323094126 /nfs/dbraw/zinc/09/41/26/323094126.db2.gz KCTKHHFRYBEQRU-PWSUYJOCSA-N 1 0 249.314 0.228 10 0 BCAERO CC[C@H](C)C(=O)N1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC000404061992 323104733 /nfs/dbraw/zinc/10/47/33/323104733.db2.gz MKCNAXOEAZMROB-AXFHLTTASA-N 1 0 226.320 0.622 10 0 BCAERO CC[C@H](C)C(=O)N1CC[C@H]2OCC[NH2+][C@@H]2C1 ZINC000404062012 323104764 /nfs/dbraw/zinc/10/47/64/323104764.db2.gz MKCNAXOEAZMROB-HBNTYKKESA-N 1 0 226.320 0.622 10 0 BCAERO CC[N@H+](C)C[C@@H](O)CN1CCn2ccnc2C1 ZINC000310437622 323131417 /nfs/dbraw/zinc/13/14/17/323131417.db2.gz UYGOMCWIIXZDAV-LLVKDONJSA-N 1 0 238.335 0.011 10 0 BCAERO O[C@H]1CCC[C@@H](C[NH2+]CC2(O)CCOCC2)C1 ZINC000310444378 323131852 /nfs/dbraw/zinc/13/18/52/323131852.db2.gz UAJUBQQUIZVMLH-NEPJUHHUSA-N 1 0 243.347 0.669 10 0 BCAERO CC[N@@H+]1CC[C@H](NCc2ccnc(OC)n2)C1 ZINC000395117633 323187646 /nfs/dbraw/zinc/18/76/46/323187646.db2.gz HUUUASUGOZULEF-NSHDSACASA-N 1 0 236.319 0.669 10 0 BCAERO C[C@H](O)CCC[N@@H+]1C[C@H](O)CC[C@@H]1C ZINC000399247317 323201674 /nfs/dbraw/zinc/20/16/74/323201674.db2.gz IVFFIZGSBVKZMR-GARJFASQSA-N 1 0 201.310 0.993 10 0 BCAERO C[C@@H]1OCC[C@H]1NC(=O)N1CCC[C@@H]([NH3+])C1 ZINC000417941514 323213032 /nfs/dbraw/zinc/21/30/32/323213032.db2.gz AODYMRPQBFEDRC-IVZWLZJFSA-N 1 0 227.308 0.297 10 0 BCAERO COC(=O)c1cncnc1NCC(C)(C)[NH3+] ZINC000309261230 323336073 /nfs/dbraw/zinc/33/60/73/323336073.db2.gz ICLMUBFKLLCEDG-UHFFFAOYSA-N 1 0 224.264 0.412 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N(C)c1nccs1 ZINC000309498792 323417994 /nfs/dbraw/zinc/41/79/94/323417994.db2.gz KYNBBIQRQUZXQL-HTQZYQBOSA-N 1 0 225.317 0.961 10 0 BCAERO CCC[C@@H](C(=O)NCCOCC)[NH+](C)C ZINC000161634457 323546621 /nfs/dbraw/zinc/54/66/21/323546621.db2.gz DCTHJCVTTGEMHN-JTQLQIEISA-N 1 0 216.325 0.869 10 0 BCAERO CCC[C@@H](C(=O)NCC(C)(C)C(N)=O)[NH+](C)C ZINC000161633632 323546523 /nfs/dbraw/zinc/54/65/23/323546523.db2.gz RXLADPYTMKOUJJ-VIFPVBQESA-N 1 0 243.351 0.344 10 0 BCAERO COC(=O)c1ccc(N[C@@H](C)C[C@H](C)[NH3+])nn1 ZINC000320353949 323562386 /nfs/dbraw/zinc/56/23/86/323562386.db2.gz OQEWBMIOCOIMAR-YUMQZZPRSA-N 1 0 238.291 0.801 10 0 BCAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+][C@@H]1CCCC[C@H]1O ZINC000393072901 487959348 /nfs/dbraw/zinc/95/93/48/487959348.db2.gz BQKZBJQEMIDUNR-LNFKQOIKSA-N 1 0 226.320 0.547 10 0 BCAERO O[C@@H]1C[NH2+]C[C@H]1N1Cc2ccccc2C1 ZINC000082524490 323940323 /nfs/dbraw/zinc/94/03/23/323940323.db2.gz VNRVQEVSAYNFHD-VXGBXAGGSA-N 1 0 204.273 0.335 10 0 BCAERO CC(C)n1cc(O[C@@H]2C[NH2+]C[C@H]2O)cn1 ZINC000167367297 323945185 /nfs/dbraw/zinc/94/51/85/323945185.db2.gz IBPYWLDOOULMNX-NXEZZACHSA-N 1 0 211.265 0.176 10 0 BCAERO CC[NH2+]CCNc1nccnc1OCC ZINC000572501758 324135239 /nfs/dbraw/zinc/13/52/39/324135239.db2.gz NLSUYYNCFPYYQS-UHFFFAOYSA-N 1 0 210.281 0.897 10 0 BCAERO CC[NH2+]CCCNc1ncncc1C(=O)OC ZINC000304167861 324180458 /nfs/dbraw/zinc/18/04/58/324180458.db2.gz OSZXHUHHILAITF-UHFFFAOYSA-N 1 0 238.291 0.675 10 0 BCAERO OC1CC(C[NH2+][C@H]2CO[C@@H](C3CC3)C2)C1 ZINC000529676667 324376168 /nfs/dbraw/zinc/37/61/68/324376168.db2.gz VVAZXSXORUZWKK-QBXIENIFSA-N 1 0 211.305 0.914 10 0 BCAERO OC1CC(C[NH2+][C@H]2CO[C@H](C3CC3)C2)C1 ZINC000529676673 324376246 /nfs/dbraw/zinc/37/62/46/324376246.db2.gz VVAZXSXORUZWKK-VXJRZWNLSA-N 1 0 211.305 0.914 10 0 BCAERO CCN(C)C(=O)CC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000130037090 325006760 /nfs/dbraw/zinc/00/67/60/325006760.db2.gz XWPBGKAAUSKQKR-GHMZBOCLSA-N 1 0 228.336 0.964 10 0 BCAERO CC[C@](C)(O)C[NH2+][C@H]1CCCC[C@@H]1C(N)=O ZINC000130614342 325073239 /nfs/dbraw/zinc/07/32/39/325073239.db2.gz PHFXSISILIIXPF-NHCYSSNCSA-N 1 0 228.336 0.781 10 0 BCAERO O=C(C[NH2+]Cc1cc[nH]c1)NCC1CC1 ZINC000134536092 325364144 /nfs/dbraw/zinc/36/41/44/325364144.db2.gz WKDKKJAAGXGBJV-UHFFFAOYSA-N 1 0 207.277 0.631 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)N(C)[C@H]2CC[NH2+]C2)O1 ZINC000251987655 325684005 /nfs/dbraw/zinc/68/40/05/325684005.db2.gz ZCSNOOZCWSUEJM-KXUCPTDWSA-N 1 0 212.293 0.374 10 0 BCAERO CC(C)[NH2+]CC(=O)N1[C@@H](C)COC[C@@H]1C ZINC000566508266 326060267 /nfs/dbraw/zinc/06/02/67/326060267.db2.gz RMQUJWDBABCRJN-UWVGGRQHSA-N 1 0 214.309 0.620 10 0 BCAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1CC1(CO)COC1 ZINC000309983898 326177767 /nfs/dbraw/zinc/17/77/67/326177767.db2.gz XBEMSFSGDWZFIE-RYUDHWBXSA-N 1 0 240.347 0.164 10 0 BCAERO CCc1nnc(CN2CCC[C@@H]([NH2+]C)C2)n1C ZINC000567893644 326278358 /nfs/dbraw/zinc/27/83/58/326278358.db2.gz DUJAMVOFPZUNRT-SNVBAGLBSA-N 1 0 237.351 0.561 10 0 BCAERO C[NH2+][C@H](C)C(=O)N(C)CCc1nccs1 ZINC000568230894 326330219 /nfs/dbraw/zinc/33/02/19/326330219.db2.gz HJZWFTXAGRZKNU-MRVPVSSYSA-N 1 0 227.333 0.752 10 0 BCAERO CCCCOC[C@H](O)C[NH2+]C[C@@H](O)C1CCC1 ZINC000315802786 326342895 /nfs/dbraw/zinc/34/28/95/326342895.db2.gz WIBKZLCYDDQTIQ-CHWSQXEVSA-N 1 0 245.363 0.915 10 0 BCAERO C[C@]1(C(=O)NCCc2ncc[nH]2)CCC[NH2+]1 ZINC000158826781 326344542 /nfs/dbraw/zinc/34/45/42/326344542.db2.gz WKBDUURHFMRJHQ-LLVKDONJSA-N 1 0 222.292 0.211 10 0 BCAERO OC[C@@H]1C[N@H+](Cc2cccc3c2NCC3)C[C@@H]1O ZINC000316306193 326349338 /nfs/dbraw/zinc/34/93/38/326349338.db2.gz KHMRHKXVGKEBHM-STQMWFEESA-N 1 0 248.326 0.440 10 0 BCAERO CCc1nnc(CN2C[C@H](C[NH3+])C[C@H]2C)n1C ZINC000568512149 326361680 /nfs/dbraw/zinc/36/16/80/326361680.db2.gz ILLPYBDCXISVMJ-ZJUUUORDSA-N 1 0 237.351 0.547 10 0 BCAERO Cc1noc(CCCN2CCC[C@H]2C[NH3+])n1 ZINC000568884472 326381262 /nfs/dbraw/zinc/38/12/62/326381262.db2.gz MTWVYOOEISAAHE-JTQLQIEISA-N 1 0 224.308 0.734 10 0 BCAERO [NH3+][C@@H]1CC[C@H](C(=O)N2CCOCC23CCC3)C1 ZINC000569014210 326386769 /nfs/dbraw/zinc/38/67/69/326386769.db2.gz NRBYKDMRDCMCDY-WDEREUQCSA-N 1 0 238.331 0.895 10 0 BCAERO Cc1cnc(CN2CC[C@@H]3OCC[NH2+][C@@H]3C2)o1 ZINC000572847529 326414781 /nfs/dbraw/zinc/41/47/81/326414781.db2.gz FKTDQSKUVOVLCX-MNOVXSKESA-N 1 0 237.303 0.546 10 0 BCAERO CN(C)C(=O)CCC[NH2+]C[C@H](O)C(C)(C)C ZINC000324392070 326415636 /nfs/dbraw/zinc/41/56/36/326415636.db2.gz ZBDNWMVLIZVNAS-JTQLQIEISA-N 1 0 230.352 0.851 10 0 BCAERO C[C@H]1OCC[C@@H]1NC(=O)C1([NH3+])CCCC1 ZINC000134256882 487975954 /nfs/dbraw/zinc/97/59/54/487975954.db2.gz SAERPTPKORSGRA-BDAKNGLRSA-N 1 0 212.293 0.552 10 0 BCAERO CC(C)[C@H]([NH3+])C(=O)N[C@H]1CCO[C@H]1C ZINC000134257144 487975987 /nfs/dbraw/zinc/97/59/87/487975987.db2.gz LQWMHXNXIKRBBP-CIUDSAMLSA-N 1 0 200.282 0.263 10 0 BCAERO C[C@@H]1C[C@H]1[NH2+]Cc1ccc(S(N)(=O)=O)o1 ZINC000083967853 487976653 /nfs/dbraw/zinc/97/66/53/487976653.db2.gz DWFOVZDACQZCFU-HTRCEHHLSA-N 1 0 230.289 0.425 10 0 BCAERO CC[C@@](C)(O)C[N@@H+]1CC[C@@H](N(C)C)C1 ZINC000229874622 487983147 /nfs/dbraw/zinc/98/31/47/487983147.db2.gz RNSWDYVLBRRDBZ-GHMZBOCLSA-N 1 0 200.326 0.783 10 0 BCAERO C[C@@H]1OCC[C@H]1NC(=O)CC(C)(C)[NH3+] ZINC000134552656 487989650 /nfs/dbraw/zinc/98/96/50/487989650.db2.gz JDCPGLSOBJJMIW-JGVFFNPUSA-N 1 0 200.282 0.407 10 0 BCAERO C[C@@H]1OCC[C@@H]1NC(=O)CCCC[NH3+] ZINC000134548878 487989961 /nfs/dbraw/zinc/98/99/61/487989961.db2.gz CDJJXBHPFCTVHA-IUCAKERBSA-N 1 0 200.282 0.409 10 0 BCAERO CC(C)OCCNC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000159126635 487994926 /nfs/dbraw/zinc/99/49/26/487994926.db2.gz LJSGGCCFPWKBLY-VHSXEESVSA-N 1 0 214.309 0.655 10 0 BCAERO CC(C)OCCNC(=O)[C@@H]1CC[NH2+]C1 ZINC000159154513 487996009 /nfs/dbraw/zinc/99/60/09/487996009.db2.gz XGDDWUBFTQLFAU-SECBINFHSA-N 1 0 200.282 0.137 10 0 BCAERO CCOc1cc(N(C)[C@@H]2CC[NH2+]C2)nc(C)n1 ZINC000090787877 488000937 /nfs/dbraw/zinc/00/09/37/488000937.db2.gz GBPGWFHSGIDNSO-SNVBAGLBSA-N 1 0 236.319 0.982 10 0 BCAERO Nc1ccc(CN2CCC[C@@H]2C[NH3+])cn1 ZINC000309644734 488011228 /nfs/dbraw/zinc/01/12/28/488011228.db2.gz VRPDKWGISWBYAI-SNVBAGLBSA-N 1 0 206.293 0.587 10 0 BCAERO Cc1cccc(CN2CCOC[C@@H]2CO)n1 ZINC000159282259 488019763 /nfs/dbraw/zinc/01/97/63/488019763.db2.gz BNMQSVKWKQQTKV-LBPRGKRZSA-N 1 0 222.288 0.583 10 0 BCAERO COC(=O)[C@H]([NH3+])[C@H]1CCC[C@H](OC)C1 ZINC000216398375 488020518 /nfs/dbraw/zinc/02/05/18/488020518.db2.gz CDLZCXGMABRRCJ-XHNCKOQMSA-N 1 0 201.266 0.692 10 0 BCAERO CC(C)NC(=O)N(C)C[C@@H]1CN(C)CCO1 ZINC000074902169 488025292 /nfs/dbraw/zinc/02/52/92/488025292.db2.gz UTCCGIYVHJUXLG-JTQLQIEISA-N 1 0 229.324 0.367 10 0 BCAERO OC[C@@H]1CSCC[N@@H+]1C[C@@H]1CCC[C@@H](O)C1 ZINC000388201171 488033896 /nfs/dbraw/zinc/03/38/96/488033896.db2.gz SUHLVSAVKGBDCQ-IJLUTSLNSA-N 1 0 245.388 0.947 10 0 BCAERO C[C@H]1CN(Cc2cn[nH]c2)C[C@@H]1[NH+](C)C ZINC000685458813 488037011 /nfs/dbraw/zinc/03/70/11/488037011.db2.gz DAQQGLULYLJDCR-ONGXEEELSA-N 1 0 208.309 0.792 10 0 BCAERO CC(C)[NH2+]CC(=O)NC[C@@H]1CCC[C@H]1O ZINC000084238516 488039520 /nfs/dbraw/zinc/03/95/20/488039520.db2.gz RSEHMJPMKGAUNE-VHSXEESVSA-N 1 0 214.309 0.262 10 0 BCAERO CC(C)([NH3+])CC(=O)NC[C@H]1CCC[C@@H]1O ZINC000084238789 488039714 /nfs/dbraw/zinc/03/97/14/488039714.db2.gz BAJTVTYFANLLBG-BDAKNGLRSA-N 1 0 214.309 0.391 10 0 BCAERO CC(C)[NH2+]CCC(=O)NC[C@H]1CCC[C@@H]1O ZINC000084238752 488039743 /nfs/dbraw/zinc/03/97/43/488039743.db2.gz VESUGTGRNYUFML-MNOVXSKESA-N 1 0 228.336 0.652 10 0 BCAERO O=C(C[C@H]1C[NH2+]CCO1)NCC[C@@H]1CCCO1 ZINC000091309720 488042020 /nfs/dbraw/zinc/04/20/20/488042020.db2.gz XDRNYTFUSDKLLN-QWRGUYRKSA-N 1 0 242.319 0.050 10 0 BCAERO C[C@@H]1CN(C(=O)[C@H]2CCC[C@@H]2C[NH3+])CCO1 ZINC000084308702 488043362 /nfs/dbraw/zinc/04/33/62/488043362.db2.gz UJZZOFBMTMIOHY-MXWKQRLJSA-N 1 0 226.320 0.609 10 0 BCAERO Cn1cc(NC(=O)[C@H]2CCC[C@H]2C[NH3+])cn1 ZINC000084309492 488043828 /nfs/dbraw/zinc/04/38/28/488043828.db2.gz PQDIDEPTPFMVQS-WPRPVWTQSA-N 1 0 222.292 0.734 10 0 BCAERO [NH3+]C[C@H]1CCC[C@@H]1C(=O)Nc1cn[nH]c1 ZINC000084309512 488044240 /nfs/dbraw/zinc/04/42/40/488044240.db2.gz LUWRWHWMNUTPPO-APPZFPTMSA-N 1 0 208.265 0.723 10 0 BCAERO [NH3+]C[C@H]1CCC[C@@H]1C(=O)NCc1ncc[nH]1 ZINC000084311248 488044931 /nfs/dbraw/zinc/04/49/31/488044931.db2.gz VHZXENLFCLGPAK-BDAKNGLRSA-N 1 0 222.292 0.401 10 0 BCAERO CC(C)OC[C@@H](O)C[NH2+]CC1CC(O)C1 ZINC000084449287 488053109 /nfs/dbraw/zinc/05/31/09/488053109.db2.gz QQGUSTYHOMBDBF-ILDUYXDCSA-N 1 0 217.309 0.133 10 0 BCAERO CC(C)OC[C@H](O)C[NH2+]CC1CC(O)C1 ZINC000084449285 488053115 /nfs/dbraw/zinc/05/31/15/488053115.db2.gz QQGUSTYHOMBDBF-VQXHTEKXSA-N 1 0 217.309 0.133 10 0 BCAERO CO[C@]1(CO)CCC[N@@H+]([C@@H]2CCOC2)C1 ZINC000401788456 488065977 /nfs/dbraw/zinc/06/59/77/488065977.db2.gz VEOSWORJLKUZER-GHMZBOCLSA-N 1 0 215.293 0.249 10 0 BCAERO C[C@]1(C(=O)NCCCCO)CCC[NH2+]1 ZINC000235739235 488066397 /nfs/dbraw/zinc/06/63/97/488066397.db2.gz RWAZVNGZKGASOH-SNVBAGLBSA-N 1 0 200.282 0.017 10 0 BCAERO [NH3+]C[C@@H](NC(=O)c1ncccc1O)C(F)(F)F ZINC000401793128 488068088 /nfs/dbraw/zinc/06/80/88/488068088.db2.gz IDABTUFBZVDEQS-ZCFIWIBFSA-N 1 0 249.192 0.407 10 0 BCAERO COc1cc(C)nc(N[C@H]2CC[NH2+]C2)n1 ZINC000166458624 488086224 /nfs/dbraw/zinc/08/62/24/488086224.db2.gz ACKRMJIWSLPEFI-QMMMGPOBSA-N 1 0 208.265 0.567 10 0 BCAERO Cn1nccc1NC(=O)C1CCC([NH3+])CC1 ZINC000257734100 488086288 /nfs/dbraw/zinc/08/62/88/488086288.db2.gz WQTBWDIHTAIGSB-UHFFFAOYSA-N 1 0 222.292 0.876 10 0 BCAERO C[C@@H]1C[C@@H](C(=O)N2CCC[C@H]([NH3+])C2)CCO1 ZINC000257751747 488087125 /nfs/dbraw/zinc/08/71/25/488087125.db2.gz YUZTZTNVEQQEBV-VWYCJHECSA-N 1 0 226.320 0.751 10 0 BCAERO CCC1(NC(=O)[C@@H]2C[NH2+]C[C@H]2C)CCOCC1 ZINC000389333870 488089652 /nfs/dbraw/zinc/08/96/52/488089652.db2.gz QRMHYZDFKBYAAH-GHMZBOCLSA-N 1 0 240.347 0.917 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)N1CCN(C2CC2)CC1 ZINC000136408985 488101497 /nfs/dbraw/zinc/10/14/97/488101497.db2.gz ZLFYQCZZVJNOTH-GFCCVEGCSA-N 1 0 239.363 0.666 10 0 BCAERO CC(C)CN(CC(N)=O)C(=O)C[C@H]([NH3+])C(C)C ZINC000148571137 488103804 /nfs/dbraw/zinc/10/38/04/488103804.db2.gz BPZMRXPJULJAHJ-JTQLQIEISA-N 1 0 243.351 0.330 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)N1CCn2ccnc2C1 ZINC000136457310 488103490 /nfs/dbraw/zinc/10/34/90/488103490.db2.gz SAQUMGVICJQKPJ-SNVBAGLBSA-N 1 0 236.319 0.599 10 0 BCAERO C[C@@H](O)CCNC(=O)C1CCC([NH3+])CC1 ZINC000084869890 488108213 /nfs/dbraw/zinc/10/82/13/488108213.db2.gz WHEXBJFUQSYPQE-XNWIYYODSA-N 1 0 214.309 0.391 10 0 BCAERO COCC(C)(C)C[NH2+][C@@H]1CCCN(CCO)C1 ZINC000683144891 488118985 /nfs/dbraw/zinc/11/89/85/488118985.db2.gz ISBZMAZQGNIPQD-GFCCVEGCSA-N 1 0 244.379 0.705 10 0 BCAERO COC[C@H](C)NC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000085009068 488121297 /nfs/dbraw/zinc/12/12/97/488121297.db2.gz VLPXYJDGADVPNM-YIZRAAEISA-N 1 0 200.282 0.265 10 0 BCAERO [NH3+][C@H]1CC[C@@H](C(=O)N[C@H]2CCCC[C@@H]2O)C1 ZINC000085012670 488122686 /nfs/dbraw/zinc/12/26/86/488122686.db2.gz SPPIMLKNKHGWLF-RCWTZXSCSA-N 1 0 226.320 0.534 10 0 BCAERO C[NH2+][C@H](C)CNC(=O)Cc1ccccc1O ZINC000234428850 488129979 /nfs/dbraw/zinc/12/99/79/488129979.db2.gz YUTBVEUFLBQMCQ-SECBINFHSA-N 1 0 222.288 0.659 10 0 BCAERO CO[C@@H]1C[N@H+](C[C@@H]2CCC[C@@H](O)C2)C[C@@H]1OC ZINC000382385461 487540482 /nfs/dbraw/zinc/54/04/82/487540482.db2.gz FFVWRYBAVLBCGA-LPWJVIDDSA-N 1 0 243.347 0.883 10 0 BCAERO [NH3+]C[C@@H]1CCCN1C(=O)c1n[nH]c2c1CCCC2 ZINC000237976176 487542692 /nfs/dbraw/zinc/54/26/92/487542692.db2.gz DEJXDBZZLFAOQA-VIFPVBQESA-N 1 0 248.330 0.852 10 0 BCAERO C[C@H]1[NH2+]CCC[C@@H]1C(=O)NCCn1ccnc1 ZINC000094647540 487547688 /nfs/dbraw/zinc/54/76/88/487547688.db2.gz SMXZYKNYXIGWIL-MNOVXSKESA-N 1 0 236.319 0.387 10 0 BCAERO O=C(C[C@H]1CCC[NH2+]C1)NCC1(CO)CC1 ZINC000168882950 487550407 /nfs/dbraw/zinc/55/04/07/487550407.db2.gz KPHGXUIQCKGTHO-SNVBAGLBSA-N 1 0 226.320 0.265 10 0 BCAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]C[C@@H]1CCC[C@@H](O)C1 ZINC000392874836 487556151 /nfs/dbraw/zinc/55/61/51/487556151.db2.gz GELXNOADONJYKA-QCNOEVLYSA-N 1 0 240.347 0.794 10 0 BCAERO OC[C@@H]1C[N@@H+]([C@@H]2CCC[C@H]2O)CCC1(F)F ZINC000403878823 487556698 /nfs/dbraw/zinc/55/66/98/487556698.db2.gz XLHCSGUHLFUXOW-IVZWLZJFSA-N 1 0 235.274 0.849 10 0 BCAERO O=C(N[C@@H]1CCCC[C@H]1O)[C@H]1CCC[NH2+]C1 ZINC000088033428 487473327 /nfs/dbraw/zinc/47/33/27/487473327.db2.gz YPUOZGNXCJHKFX-HBNTYKKESA-N 1 0 226.320 0.406 10 0 BCAERO CC[C@@H](C)[C@H]([NH3+])C(=O)N[C@@H](C)COC ZINC000019471754 487475580 /nfs/dbraw/zinc/47/55/80/487475580.db2.gz SXADYJDCQQIOTL-VGMNWLOBSA-N 1 0 202.298 0.511 10 0 BCAERO CC(C)[C@@H](CO)NC(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000086125811 487485612 /nfs/dbraw/zinc/48/56/12/487485612.db2.gz VMYVZUXVSMOKOY-HBNTYKKESA-N 1 0 228.336 0.637 10 0 BCAERO CC(C)[C@@H](CO)NC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000086125824 487486214 /nfs/dbraw/zinc/48/62/14/487486214.db2.gz XOWGFKAVFTYLBE-IVZWLZJFSA-N 1 0 214.309 0.247 10 0 BCAERO CC[NH2+]CC1CCN(c2nnnn2C)CC1 ZINC000062939643 487505688 /nfs/dbraw/zinc/50/56/88/487505688.db2.gz FIMCLQJMSGIWLH-UHFFFAOYSA-N 1 0 224.312 0.036 10 0 BCAERO O[C@@H]1CCC[C@H]1[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000062982039 487508293 /nfs/dbraw/zinc/50/82/93/487508293.db2.gz YEOONNNTAYFIOA-YNEHKIRRSA-N 1 0 240.347 0.306 10 0 BCAERO C[N@H+](CCOCCO)C[C@H]1CCC[C@H](O)C1 ZINC000381648388 487517103 /nfs/dbraw/zinc/51/71/03/487517103.db2.gz QYNGDAPQKDCFBO-RYUDHWBXSA-N 1 0 231.336 0.478 10 0 BCAERO C[N@H+](CCOCCO)C[C@H]1CCC[C@@H](O)C1 ZINC000381648384 487517579 /nfs/dbraw/zinc/51/75/79/487517579.db2.gz QYNGDAPQKDCFBO-NWDGAFQWSA-N 1 0 231.336 0.478 10 0 BCAERO Cc1c(CN2CC[NH2+]CC2(C)C)cnn1C ZINC000086552449 487518428 /nfs/dbraw/zinc/51/84/28/487518428.db2.gz UKDSXSGWAPPUAL-UHFFFAOYSA-N 1 0 222.336 0.912 10 0 BCAERO CC(C)[C@@H](NC(=O)[C@@H]1COCCN1)C1CC1 ZINC000324097365 487521549 /nfs/dbraw/zinc/52/15/49/487521549.db2.gz IJDKIMJPXYGSEC-WDEREUQCSA-N 1 0 226.320 0.526 10 0 BCAERO COC[C@@H](CN1CC[N@@H+]2CCCC[C@H]2C1)OC ZINC000300561939 487522553 /nfs/dbraw/zinc/52/25/53/487522553.db2.gz FFAJSLKZQUXFDD-QWHCGFSZSA-N 1 0 242.363 0.818 10 0 BCAERO [NH3+]CC1(NC(=O)CC(F)(F)F)CCOCC1 ZINC000230730967 488143091 /nfs/dbraw/zinc/14/30/91/488143091.db2.gz WXUZTNIFWAKYBD-UHFFFAOYSA-N 1 0 240.225 0.563 10 0 BCAERO Cc1nc(CN2CC[C@@H]3OCC[NH2+][C@@H]3C2)co1 ZINC000404076827 488146417 /nfs/dbraw/zinc/14/64/17/488146417.db2.gz FXUHKNPMPAIJSP-NEPJUHHUSA-N 1 0 237.303 0.546 10 0 BCAERO Cc1nc(CN2CC[C@H]3OCC[NH2+][C@H]3C2)co1 ZINC000404076831 488147103 /nfs/dbraw/zinc/14/71/03/488147103.db2.gz FXUHKNPMPAIJSP-NWDGAFQWSA-N 1 0 237.303 0.546 10 0 BCAERO CCn1cc(CN[C@H](C)[C@H]2CC[NH2+]C2)nn1 ZINC000404459235 488161965 /nfs/dbraw/zinc/16/19/65/488161965.db2.gz PQQXIUKCLHURGV-ZJUUUORDSA-N 1 0 223.324 0.386 10 0 BCAERO CCn1cc(CNC(=O)[C@@H]2CC[C@@H]([NH3+])C2)nn1 ZINC000404494878 488166198 /nfs/dbraw/zinc/16/61/98/488166198.db2.gz OVUOFXQKDYFQFM-RKDXNWHRSA-N 1 0 237.307 0.042 10 0 BCAERO CCn1cc(CNC(=O)C[C@@H]([NH3+])C(C)C)nn1 ZINC000404472860 488166237 /nfs/dbraw/zinc/16/62/37/488166237.db2.gz ZSFDJFDDOUCVNS-SNVBAGLBSA-N 1 0 239.323 0.288 10 0 BCAERO [NH3+]C[C@H](NC(=O)c1csnn1)C(F)(F)F ZINC000401733444 488187344 /nfs/dbraw/zinc/18/73/44/488187344.db2.gz PSWQRNNRNBKQML-BYPYZUCNSA-N 1 0 240.210 0.158 10 0 BCAERO CCn1ncnc1C[NH2+]C[C@@H](O)C(C)(C)C ZINC000324503391 490092797 /nfs/dbraw/zinc/09/27/97/490092797.db2.gz OLRUGYGKHKFLGW-SECBINFHSA-N 1 0 226.324 0.795 10 0 BCAERO O=S1(=O)CCC[C@H]([NH2+]CC[C@@H]2CCCO2)C1 ZINC000068940099 490136280 /nfs/dbraw/zinc/13/62/80/490136280.db2.gz AORDVXDXMUEBAU-QWRGUYRKSA-N 1 0 247.360 0.722 10 0 BCAERO Cn1cc(C[NH2+][C@H]2CCC[C@@H](O)C2)cn1 ZINC000037163922 490146104 /nfs/dbraw/zinc/14/61/04/490146104.db2.gz STZMQWHADUWUSM-WDEREUQCSA-N 1 0 209.293 0.813 10 0 BCAERO CC[C@@H]([NH3+])C(=O)N[C@H](C)c1ncc(C)o1 ZINC000225523380 490153232 /nfs/dbraw/zinc/15/32/32/490153232.db2.gz QUIHSDWMHHJSLT-HTQZYQBOSA-N 1 0 211.265 0.898 10 0 BCAERO Cn1nncc1C[NH2+][C@@H]1CCC[C@H](O)C1 ZINC000129725452 490164405 /nfs/dbraw/zinc/16/44/05/490164405.db2.gz HRJLIEITWMNBAB-SCZZXKLOSA-N 1 0 210.281 0.208 10 0 BCAERO C[NH2+][C@H](C)C(=O)N(C)[C@@H]1CCSC1 ZINC000054072039 490191625 /nfs/dbraw/zinc/19/16/25/490191625.db2.gz OUINFUNUVRLRCQ-HTQZYQBOSA-N 1 0 202.323 0.558 10 0 BCAERO O=C1CC[C@@H]2C[N@H+]([C@@H]3CCC[C@H]3O)CCN12 ZINC000123467370 490238586 /nfs/dbraw/zinc/23/85/86/490238586.db2.gz OEBIUXXLFMWJRK-GMTAPVOTSA-N 1 0 224.304 0.206 10 0 BCAERO COc1ncccc1C(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000229588621 490348484 /nfs/dbraw/zinc/34/84/84/490348484.db2.gz HRBPYPVYARWSDT-ONGXEEELSA-N 1 0 249.314 0.961 10 0 BCAERO CC[C@@H]([NH3+])C(=O)N[C@H](C)[C@H]1CCCO1 ZINC000084199970 490379784 /nfs/dbraw/zinc/37/97/84/490379784.db2.gz YPDGUAKUJKTKRE-IWSPIJDZSA-N 1 0 200.282 0.407 10 0 BCAERO Cc1nccc(CNC(=O)[C@@]2(C)CCC[NH2+]2)n1 ZINC000079518659 490448826 /nfs/dbraw/zinc/44/88/26/490448826.db2.gz SUFRPHVIGBNHQJ-GFCCVEGCSA-N 1 0 234.303 0.543 10 0 BCAERO Cc1ccc(C[N@@H+]2CCC[C@@](O)(C(N)=O)C2)cn1 ZINC000405598676 490464725 /nfs/dbraw/zinc/46/47/25/490464725.db2.gz CUOJMJMERTUBCL-ZDUSSCGKSA-N 1 0 249.314 0.202 10 0 BCAERO CCOC[C@@H](C)[NH2+]C[C@H]1CN(CC)CCO1 ZINC000219537975 490573241 /nfs/dbraw/zinc/57/32/41/490573241.db2.gz JTHPUOXCCFPANF-NEPJUHHUSA-N 1 0 230.352 0.722 10 0 BCAERO CC[C@@H](COC)[NH2+]C[C@H]1CN(CC)CCO1 ZINC000086004761 491056191 /nfs/dbraw/zinc/05/61/91/491056191.db2.gz VFAMDFWIRBBZQE-RYUDHWBXSA-N 1 0 230.352 0.722 10 0 BCAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]C[C@H]1CCCCO1 ZINC000336737142 491111398 /nfs/dbraw/zinc/11/13/98/491111398.db2.gz JDHOBGSSLDLXKI-HBNTYKKESA-N 1 0 226.320 0.812 10 0 BCAERO C[C@H](CO)C[N@@H+]1C[C@@H](C)[C@@H](N(C)C)C1 ZINC000222965250 491133992 /nfs/dbraw/zinc/13/39/92/491133992.db2.gz OXVNIMPKDSGUCR-AXFHLTTASA-N 1 0 200.326 0.497 10 0 BCAERO CNC(=O)[C@H]([NH2+]C1CSC1)C(C)C ZINC000308383880 491136190 /nfs/dbraw/zinc/13/61/90/491136190.db2.gz VXOXMEROOHEDEL-MRVPVSSYSA-N 1 0 202.323 0.462 10 0 BCAERO C[C@@H]1C[C@H]1C[NH2+]C1CCN(CCO)CC1 ZINC000309131195 491145409 /nfs/dbraw/zinc/14/54/09/491145409.db2.gz RAKKRBWORDSUIM-MNOVXSKESA-N 1 0 212.337 0.689 10 0 BCAERO CC1(C)[C@H](O)C[C@H]1[NH2+]CC1(O)CCSCC1 ZINC000309520329 491149856 /nfs/dbraw/zinc/14/98/56/491149856.db2.gz ZVNLGSGWDTVTTI-NXEZZACHSA-N 1 0 245.388 0.994 10 0 BCAERO CC[NH2+]Cc1ccc(N2CCOC[C@H]2C)nn1 ZINC000051444145 535478685 /nfs/dbraw/zinc/47/86/85/535478685.db2.gz WUCATBUUMZUMSV-SNVBAGLBSA-N 1 0 236.319 0.811 10 0 BCAERO CCCn1nnc(Br)c1C[NH3+] ZINC000757138311 582517387 /nfs/dbraw/zinc/51/73/87/582517387.db2.gz SSCBGRIANOOJOT-UHFFFAOYSA-N 1 0 219.086 0.909 10 0 BCAERO CC(C)(C)[C@@H]1CCO[C@]2(CCS(=O)(=O)C2)[NH2+]1 ZINC000757139761 582520137 /nfs/dbraw/zinc/52/01/37/582520137.db2.gz JXZRFZKAZJDESQ-ONGXEEELSA-N 1 0 247.360 0.926 10 0 BCAERO Cc1nn(C)c(Cl)c1CN1CC[C@@H]1C[NH3+] ZINC000757147996 582531782 /nfs/dbraw/zinc/53/17/82/582531782.db2.gz VFLNPJQYMJIXGV-MRVPVSSYSA-N 1 0 228.727 0.915 10 0 BCAERO Cc1cc(C)n(CCN2CC[C@H]2C[NH3+])n1 ZINC000757148211 582531858 /nfs/dbraw/zinc/53/18/58/582531858.db2.gz WQJTXXQVBSPODX-NSHDSACASA-N 1 0 208.309 0.533 10 0 BCAERO CN1CCOC[C@@]12C[NH2+]C(C)(C)OC2 ZINC000757150015 582534295 /nfs/dbraw/zinc/53/42/95/582534295.db2.gz WPKQIMFVICAWOR-SNVBAGLBSA-N 1 0 200.282 0.043 10 0 BCAERO NC(=O)[C@@H]1CCN1[C@H]1CCCC[C@H]1C[NH3+] ZINC000757151804 582536329 /nfs/dbraw/zinc/53/63/29/582536329.db2.gz XQJWIYUFXIRNKC-GUBZILKMSA-N 1 0 211.309 0.064 10 0 BCAERO NC(=O)[C@@H]1CCN1CC[C@H]1CCCC1=O ZINC000757153899 582538484 /nfs/dbraw/zinc/53/84/84/582538484.db2.gz WDQAZVNMNNHQJL-BDAKNGLRSA-N 1 0 210.277 0.305 10 0 BCAERO C[C@@H](C1CCOCC1)n1ncnc1C[NH3+] ZINC000757165848 582548170 /nfs/dbraw/zinc/54/81/70/582548170.db2.gz ODMFCLDTCNHGGI-QMMMGPOBSA-N 1 0 210.281 0.724 10 0 BCAERO COC(=O)[C@@H]1C[NH2+]C[C@@H]1c1csc(C)n1 ZINC000757191224 582556745 /nfs/dbraw/zinc/55/67/45/582556745.db2.gz SFLUFHZUZUYIPA-JGVFFNPUSA-N 1 0 226.301 0.928 10 0 BCAERO CC(C)NS(=O)(=O)C[C@@]12CC[C@@H](C[C@@H]1[NH3+])C2 ZINC000757207483 582559764 /nfs/dbraw/zinc/55/97/64/582559764.db2.gz BIGNPQMCFPGWNL-DCAQKATOSA-N 1 0 246.376 0.832 10 0 BCAERO C[C@H](NC[C@H]1CN(C)CCO1)[C@@H]1CCC[NH2+]1 ZINC000400434913 533910459 /nfs/dbraw/zinc/91/04/59/533910459.db2.gz LAXBCZKIEAMENT-SRVKXCTJSA-N 1 0 227.352 0.047 10 0 BCAERO CC[C@@H]1CCC[C@@H]1NC(=O)[C@H]([NH3+])COC ZINC000261552368 535821940 /nfs/dbraw/zinc/82/19/40/535821940.db2.gz RFZLKXMYUKUGLD-BBBLOLIVSA-N 1 0 214.309 0.655 10 0 BCAERO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)[C@H](C)CO ZINC000163239198 517475232 /nfs/dbraw/zinc/47/52/32/517475232.db2.gz QQRIMANUFWUELM-VGMNWLOBSA-N 1 0 202.298 0.103 10 0 BCAERO CC(=O)NCCCN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171637906 534390292 /nfs/dbraw/zinc/39/02/92/534390292.db2.gz LRCUELBWMICJBJ-GFCCVEGCSA-N 1 0 225.336 0.293 10 0 BCAERO O=C(Nc1ccnn1C1C[NH2+]C1)C(F)F ZINC000725259200 582798853 /nfs/dbraw/zinc/79/88/53/582798853.db2.gz NEPRZFSZTXJFEH-UHFFFAOYSA-N 1 0 216.191 0.231 10 0 BCAERO C[NH2+][C@@H](C)CNC(=O)Cc1cc(C)on1 ZINC000261546054 536339175 /nfs/dbraw/zinc/33/91/75/536339175.db2.gz KQIAZHNFIHRTIO-ZETCQYMHSA-N 1 0 211.265 0.250 10 0 BCAERO CC(=O)Oc1ccccc1C(=O)N1CC[C@H]([NH3+])C1 ZINC000229017978 519759617 /nfs/dbraw/zinc/75/96/17/519759617.db2.gz OHMZIDIZDJYYDE-JTQLQIEISA-N 1 0 248.282 0.785 10 0 BCAERO CC(=O)N[C@H]1CCC[N@H+](C[C@H]2CCCO2)C1 ZINC000249708379 534663509 /nfs/dbraw/zinc/66/35/09/534663509.db2.gz BXWCEGUBLVVOHP-NWDGAFQWSA-N 1 0 226.320 0.766 10 0 BCAERO COC(=O)C[C@@H]1C[C@H]2[C@H](CCC[C@@H]2[NH3+])O1 ZINC000238853602 523307066 /nfs/dbraw/zinc/30/70/66/523307066.db2.gz KKGAEERCEJJJSE-JXUBOQSCSA-N 1 0 213.277 0.834 10 0 BCAERO C[NH2+][C@@H]1Cc2c(F)cccc2N(C)C1=O ZINC000039105701 536378127 /nfs/dbraw/zinc/37/81/27/536378127.db2.gz SZDXXJLYRBZAEN-SECBINFHSA-N 1 0 208.236 0.933 10 0 BCAERO CN1C(=O)N(C)[C@@](C)([C@@H]2CCC[NH2+]C2)C1=O ZINC000095533158 523715180 /nfs/dbraw/zinc/71/51/80/523715180.db2.gz LDPVQZRWDRZLBR-KCJUWKMLSA-N 1 0 225.292 0.269 10 0 BCAERO CC[C@H](C)[NH2+]CC(=O)NC[C@H]1CCCOC1 ZINC000038046191 524003253 /nfs/dbraw/zinc/00/32/53/524003253.db2.gz OCZZCDZYTREYGB-WDEREUQCSA-N 1 0 228.336 0.917 10 0 BCAERO Cc1cc(C)cc(S(=O)(=O)N[C@@H](C)C[NH3+])c1 ZINC000082578403 524457670 /nfs/dbraw/zinc/45/76/70/524457670.db2.gz XJXLYXFCJBUGIZ-JTQLQIEISA-N 1 0 242.344 0.929 10 0 BCAERO C[NH2+][C@](C)(CCn1cc(C)cn1)C(N)=O ZINC000045436466 582878961 /nfs/dbraw/zinc/87/89/61/582878961.db2.gz DDARPDSXGITCEF-SNVBAGLBSA-N 1 0 210.281 0.045 10 0 BCAERO CCC[NH2+][C@@H](Cn1cc(C)cn1)C(N)=O ZINC000045436292 582879160 /nfs/dbraw/zinc/87/91/60/582879160.db2.gz ZZVRXWRHFAMBAL-VIFPVBQESA-N 1 0 210.281 0.045 10 0 BCAERO C[C@@]([NH3+])(CCCn1cc(Cl)cn1)C(N)=O ZINC000045436620 582879483 /nfs/dbraw/zinc/87/94/83/582879483.db2.gz KLBLKADPNFUIPW-SECBINFHSA-N 1 0 230.699 0.519 10 0 BCAERO Cc1nccn1C[C@H]([NH2+]C(C)C)C(N)=O ZINC000045432862 582879564 /nfs/dbraw/zinc/87/95/64/582879564.db2.gz KKRAXUJBTKBTFJ-VIFPVBQESA-N 1 0 210.281 0.043 10 0 BCAERO CS(=O)(=O)CCC[NH2+]C[C@H](O)c1ccco1 ZINC000038047965 525116803 /nfs/dbraw/zinc/11/68/03/525116803.db2.gz WGPLOIPGWKNLEV-VIFPVBQESA-N 1 0 247.316 0.337 10 0 BCAERO COc1cccc(C(=O)NCCOCC[NH3+])c1 ZINC000074533381 525819119 /nfs/dbraw/zinc/81/91/19/525819119.db2.gz IBHUWSYNFDFKQK-UHFFFAOYSA-N 1 0 238.287 0.400 10 0 BCAERO C[C@H]1CC(C(N)=O)(N(C)C)C[C@H](C)[NH+]1C ZINC000057354462 526220263 /nfs/dbraw/zinc/22/02/63/526220263.db2.gz QFNFVCSNLBKWJK-IUCAKERBSA-N 1 0 213.325 0.275 10 0 BCAERO CC1(C)C[C@H]1CNC(=O)[C@@H]([NH3+])C1CCOCC1 ZINC000261743123 534917025 /nfs/dbraw/zinc/91/70/25/534917025.db2.gz KPIQCQATNFSJSP-QWRGUYRKSA-N 1 0 240.347 0.903 10 0 BCAERO C[NH2+]Cc1cc(N2CCOCC2)ccn1 ZINC000051399206 536468911 /nfs/dbraw/zinc/46/89/11/536468911.db2.gz SVQDWVBXOKQCOB-UHFFFAOYSA-N 1 0 207.277 0.638 10 0 BCAERO CC(C)(C)[C@H](CO)[NH2+]C[C@@H]1CNC(=O)O1 ZINC000308921134 526701510 /nfs/dbraw/zinc/70/15/10/526701510.db2.gz CGGTXOCWQHKHBJ-SFYZADRCSA-N 1 0 216.281 0.091 10 0 BCAERO COCCOCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000079396495 536499277 /nfs/dbraw/zinc/49/92/77/536499277.db2.gz ONUDFBZAWREOFN-LLVKDONJSA-N 1 0 244.335 0.202 10 0 BCAERO [NH3+]CCOCCNC(=O)c1ccccc1 ZINC000074533338 527189426 /nfs/dbraw/zinc/18/94/26/527189426.db2.gz HWXQZJFCRGKOAL-UHFFFAOYSA-N 1 0 208.261 0.392 10 0 BCAERO CC(C)(O)C(C)(C)[NH2+]C[C@@H]1CNC(=O)O1 ZINC000309018306 527313274 /nfs/dbraw/zinc/31/32/74/527313274.db2.gz VOGFUIHGEMESFO-ZETCQYMHSA-N 1 0 216.281 0.234 10 0 BCAERO [NH3+][C@H]1CCN(c2nc3ccc(F)cc3c(=O)[nH]2)C1 ZINC000229015943 527410882 /nfs/dbraw/zinc/41/08/82/527410882.db2.gz OUCZJIUCEGDVNK-QMMMGPOBSA-N 1 0 248.261 0.600 10 0 BCAERO O=c1[nH]c(=S)[nH]c2c1C[N@@H+](C1CC1)CC2 ZINC000229006601 527436274 /nfs/dbraw/zinc/43/62/74/527436274.db2.gz XWQFFUCEBVQWKZ-UHFFFAOYSA-N 1 0 223.301 0.953 10 0 BCAERO CC(C)[C@H]([NH3+])CCN(C)c1nccn2cnnc12 ZINC000133571860 535066869 /nfs/dbraw/zinc/06/68/69/535066869.db2.gz SFKFUCIVQLZONM-SNVBAGLBSA-N 1 0 248.334 0.934 10 0 BCAERO CCCCCOCC(=O)NC[C@H](C)[NH2+]C ZINC000261545254 535090486 /nfs/dbraw/zinc/09/04/86/535090486.db2.gz JSPGEIOOKMCMQO-JTQLQIEISA-N 1 0 216.325 0.917 10 0 BCAERO CC(C)S(=O)(=O)CCN(C)C1CC[NH2+]CC1 ZINC000217933477 535093091 /nfs/dbraw/zinc/09/30/91/535093091.db2.gz MXGOPEUMLYZYDA-UHFFFAOYSA-N 1 0 248.392 0.493 10 0 BCAERO CC1(CNC(=O)[C@@H]([NH3+])C2CCOCC2)CC1 ZINC000261965394 535144382 /nfs/dbraw/zinc/14/43/82/535144382.db2.gz LGOYQIKICRACTH-JTQLQIEISA-N 1 0 226.320 0.657 10 0 BCAERO CC1(CNC(=O)[C@H]([NH3+])C2CCOCC2)CC1 ZINC000261965395 535146558 /nfs/dbraw/zinc/14/65/58/535146558.db2.gz LGOYQIKICRACTH-SNVBAGLBSA-N 1 0 226.320 0.657 10 0 BCAERO CC(C)[C@H](O)C[N@H+]1C[C@H](N(C)C)[C@@H](C)C1 ZINC000251674800 535150944 /nfs/dbraw/zinc/15/09/44/535150944.db2.gz HNDREJNJRGRKTJ-SDDRHHMPSA-N 1 0 214.353 0.885 10 0 BCAERO CC(C)(CN[C@@H]1CC[NH2+]C1)N1CCOCC1 ZINC000086725068 535154055 /nfs/dbraw/zinc/15/40/55/535154055.db2.gz BHIUNJBSLLSXQO-LLVKDONJSA-N 1 0 227.352 0.049 10 0 BCAERO CC(C)[C@@H](C)NC(=O)[C@H]([NH3+])C1CCOCC1 ZINC000261900666 535164027 /nfs/dbraw/zinc/16/40/27/535164027.db2.gz WMJXKMDIEYKPSY-MWLCHTKSSA-N 1 0 228.336 0.901 10 0 BCAERO CC(C)[C@H]1C[C@H](NC(=O)C2C[NH2+]C2)CCO1 ZINC000262239548 535260755 /nfs/dbraw/zinc/26/07/55/535260755.db2.gz NTWRJQXBVMCPMC-GHMZBOCLSA-N 1 0 226.320 0.526 10 0 BCAERO CC(C)[C@@H]1OCC[C@@H]1CNC(=O)C1([NH3+])CC1 ZINC000262130568 535294986 /nfs/dbraw/zinc/29/49/86/535294986.db2.gz MNJFGZIVNXGKFU-ZJUUUORDSA-N 1 0 226.320 0.655 10 0 BCAERO CCC[C@@H](C(=O)NCC(=O)N(C)CC)[NH+](C)C ZINC000184543668 535313360 /nfs/dbraw/zinc/31/33/60/535313360.db2.gz OOXLTTPFBKSTND-JTQLQIEISA-N 1 0 243.351 0.311 10 0 BCAERO CC(C)OCCCNC(=O)C1C[NH2+]C1 ZINC000084410949 535326867 /nfs/dbraw/zinc/32/68/67/535326867.db2.gz NDCDTGFNFRSHFG-UHFFFAOYSA-N 1 0 200.282 0.137 10 0 BCAERO CCN(CC)C(=O)[C@@H](C)[N@@H+]1CC[C@@H](CCO)C1 ZINC000227575008 535460809 /nfs/dbraw/zinc/46/08/09/535460809.db2.gz AGKJWHQHMKRDAJ-NEPJUHHUSA-N 1 0 242.363 0.948 10 0 BCAERO CCOCCN(CC)C(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000085013233 535583794 /nfs/dbraw/zinc/58/37/94/535583794.db2.gz IIJXPEMHAYITFT-QWRGUYRKSA-N 1 0 228.336 0.999 10 0 BCAERO CC[N@@H+]1CCC[C@H]1CN(C)CC(=O)NC1CC1 ZINC000175344772 535589897 /nfs/dbraw/zinc/58/98/97/535589897.db2.gz MBEPRNPGNSEFPL-LBPRGKRZSA-N 1 0 239.363 0.681 10 0 BCAERO CCOCCNC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000085010750 535622262 /nfs/dbraw/zinc/62/22/62/535622262.db2.gz GLGQPKOQTKRHBK-DTWKUNHWSA-N 1 0 200.282 0.267 10 0 BCAERO CCN(CC)S(=O)(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000085727531 535626397 /nfs/dbraw/zinc/62/63/97/535626397.db2.gz NFNBCYRUABMEER-UWVGGRQHSA-N 1 0 249.380 0.303 10 0 BCAERO CCOC(=O)CC[N@H+](C)CC1CC(O)C1 ZINC000084452281 535644491 /nfs/dbraw/zinc/64/44/91/535644491.db2.gz DIXMFXUMOXPNIS-UHFFFAOYSA-N 1 0 215.293 0.642 10 0 BCAERO CCC[C@H](O)CNC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000233358788 535712714 /nfs/dbraw/zinc/71/27/14/535712714.db2.gz WMMIDRJSNLSTFS-KXUCPTDWSA-N 1 0 214.309 0.119 10 0 BCAERO CC[C@](C)(O)C[N@@H+]1CC[C@H]([C@H](C)O)C1 ZINC000249210408 535846456 /nfs/dbraw/zinc/84/64/56/535846456.db2.gz AEYZMYAKCIKLNA-DCAQKATOSA-N 1 0 201.310 0.850 10 0 BCAERO CC[C@](C)(O)C[N@@H+]1CC[C@@H]([C@H](C)O)C1 ZINC000249210407 535846826 /nfs/dbraw/zinc/84/68/26/535846826.db2.gz AEYZMYAKCIKLNA-AXFHLTTASA-N 1 0 201.310 0.850 10 0 BCAERO CC[C@H](C)[C@@H](NCCC[NH3+])C(=O)OC ZINC000135287133 535870522 /nfs/dbraw/zinc/87/05/22/535870522.db2.gz HFIVFWSZYCRRSP-DTWKUNHWSA-N 1 0 202.298 0.513 10 0 BCAERO CCn1nccc1NC(=O)[C@H]1CCC[C@@H]1[NH3+] ZINC000262005084 535884130 /nfs/dbraw/zinc/88/41/30/535884130.db2.gz BJJUSIHXLSKQJQ-IUCAKERBSA-N 1 0 222.292 0.969 10 0 BCAERO CCn1nccc1NC(=O)[C@H]1CCC[C@H]1[NH3+] ZINC000262005081 535884832 /nfs/dbraw/zinc/88/48/32/535884832.db2.gz BJJUSIHXLSKQJQ-DTWKUNHWSA-N 1 0 222.292 0.969 10 0 BCAERO CC[C@]1(C)C[C@@H]1C(=O)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262343487 535931220 /nfs/dbraw/zinc/93/12/20/535931220.db2.gz TYOIIPATSLZXFR-MWGHHZFTSA-N 1 0 226.320 0.119 10 0 BCAERO CCn1c(C)nnc1CN1CC[NH2+]C[C@H]1C ZINC000261980804 535974195 /nfs/dbraw/zinc/97/41/95/535974195.db2.gz HYSHQMPNYONBHO-SECBINFHSA-N 1 0 223.324 0.400 10 0 BCAERO CCn1c(C)nnc1CN1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000261981405 535974448 /nfs/dbraw/zinc/97/44/48/535974448.db2.gz IBCWDTQTIGRCMT-MWLCHTKSSA-N 1 0 237.351 0.776 10 0 BCAERO CCn1c(C)nnc1CN1CC[NH2+]C[C@@H]1C ZINC000261980805 535974466 /nfs/dbraw/zinc/97/44/66/535974466.db2.gz HYSHQMPNYONBHO-VIFPVBQESA-N 1 0 223.324 0.400 10 0 BCAERO CC[C@@](C)(NC(=O)[C@@H](C)C1C[NH2+]C1)C(=O)OC ZINC000262349303 535994509 /nfs/dbraw/zinc/99/45/09/535994509.db2.gz GGPTZSURGGZWNC-QPUJVOFHSA-N 1 0 242.319 0.300 10 0 BCAERO CC[C@H](OC)C(=O)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261957037 536017868 /nfs/dbraw/zinc/01/78/68/536017868.db2.gz ZSEDYBLCDAKJLT-UWVGGRQHSA-N 1 0 228.336 0.997 10 0 BCAERO CCn1cc(CN2CC[C@H]([NH3+])[C@H]2C)cn1 ZINC000261529030 536056711 /nfs/dbraw/zinc/05/67/11/536056711.db2.gz ACQLPCFOVAATFE-KOLCDFICSA-N 1 0 208.309 0.825 10 0 BCAERO CCc1c(C)[nH+]c(N2CCOCC2)nc1N ZINC000050845505 536069276 /nfs/dbraw/zinc/06/92/76/536069276.db2.gz BLXOWPDSJYUEKI-UHFFFAOYSA-N 1 0 222.292 0.766 10 0 BCAERO CCc1cc(N2CC[NH2+]C[C@@H]2C)ncn1 ZINC000054375388 536145714 /nfs/dbraw/zinc/14/57/14/536145714.db2.gz PIKMMFIKIAELJM-VIFPVBQESA-N 1 0 206.293 0.837 10 0 BCAERO CCCn1ncnc1Cn1cc[nH+]c1N ZINC000702449784 582926546 /nfs/dbraw/zinc/92/65/46/582926546.db2.gz LFIMNJIMCJOXSE-UHFFFAOYSA-N 1 0 206.253 0.515 10 0 BCAERO COC(=O)C[C@H](C)NC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000261578561 536338320 /nfs/dbraw/zinc/33/83/20/536338320.db2.gz LQWYLPJNZJWTPY-YIZRAAEISA-N 1 0 228.292 0.182 10 0 BCAERO C[NH2+][C@@H](C)CNC(=O)c1cccc2c[nH]nc21 ZINC000261653208 536343330 /nfs/dbraw/zinc/34/33/30/536343330.db2.gz FGINQKXWFWEMRW-QMMMGPOBSA-N 1 0 232.287 0.901 10 0 BCAERO C[NH2+][C@@H](C)CNS(=O)(=O)c1ccc(C)s1 ZINC000261537691 536343963 /nfs/dbraw/zinc/34/39/63/536343963.db2.gz WDRUBFUCKBVTHQ-ZETCQYMHSA-N 1 0 248.373 0.943 10 0 BCAERO C[NH2+][C@@H]1CCCN(Cc2ccnc(N(C)C)n2)C1 ZINC000262016429 536363214 /nfs/dbraw/zinc/36/32/14/536363214.db2.gz MSKWYAFWVNDOBY-LLVKDONJSA-N 1 0 249.362 0.726 10 0 BCAERO C[NH2+][C@H](C)CN1CCN(c2ccccn2)CC1 ZINC000043817355 536388589 /nfs/dbraw/zinc/38/85/89/536388589.db2.gz GMIPZRQEQZMDAS-GFCCVEGCSA-N 1 0 234.347 0.812 10 0 BCAERO C[NH2+][C@H](C)CNC(=O)CCOC[C@H]1CCCO1 ZINC000261844908 536391702 /nfs/dbraw/zinc/39/17/02/536391702.db2.gz WUHAVXAHXFOWRT-GHMZBOCLSA-N 1 0 244.335 0.296 10 0 BCAERO C[NH2+][C@H](C)CNC(=O)c1ccc2nccnc2c1 ZINC000261560247 536400903 /nfs/dbraw/zinc/40/09/03/536400903.db2.gz FCNMRYMQUXCFDI-SECBINFHSA-N 1 0 244.298 0.968 10 0 BCAERO C[NH2+][C@H](C)CNC(=O)c1cnn2cccnc12 ZINC000261780214 536401765 /nfs/dbraw/zinc/40/17/65/536401765.db2.gz QAMVOSNUOADQIA-MRVPVSSYSA-N 1 0 233.275 0.067 10 0 BCAERO COCCCN(C)C(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000085012952 536494989 /nfs/dbraw/zinc/49/49/89/536494989.db2.gz PFKUMEFGRZXXPJ-VHSXEESVSA-N 1 0 214.309 0.609 10 0 BCAERO C[NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)nn1 ZINC000051399812 536469896 /nfs/dbraw/zinc/46/98/96/536469896.db2.gz TUHTYFWWRZMRGD-NXEZZACHSA-N 1 0 236.319 0.810 10 0 BCAERO COC1(C(=O)N[C@@H]2CCCOC2)CC[NH2+]CC1 ZINC000261556479 536537409 /nfs/dbraw/zinc/53/74/09/536537409.db2.gz QUJSLYGCMOWAOB-SNVBAGLBSA-N 1 0 242.319 0.050 10 0 BCAERO CO[C@H](C[NH3+])C(=O)N1CCC[C@@H]2CCC[C@H]21 ZINC000261571963 536557063 /nfs/dbraw/zinc/55/70/63/536557063.db2.gz HWOBWKJIOVWVBV-HBNTYKKESA-N 1 0 226.320 0.751 10 0 BCAERO CO[C@@H]1CCCC[C@@H]1NC(=O)C[C@@H](C)[NH3+] ZINC000261584501 536581167 /nfs/dbraw/zinc/58/11/67/536581167.db2.gz PVIMPKIRRJYPMU-KXUCPTDWSA-N 1 0 214.309 0.798 10 0 BCAERO CO[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](C)C1C[NH2+]C1 ZINC000262241998 536587808 /nfs/dbraw/zinc/58/78/08/536587808.db2.gz ROOBSXXKMPMRIB-ZMLRMANQSA-N 1 0 240.347 0.916 10 0 BCAERO CO[C@@H]1CCCC[C@H]1NC(=O)[C@H](C)C1C[NH2+]C1 ZINC000262241995 536601275 /nfs/dbraw/zinc/60/12/75/536601275.db2.gz ROOBSXXKMPMRIB-YUSALJHKSA-N 1 0 240.347 0.916 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N(CC(F)F)C1CC1 ZINC000261589678 536654133 /nfs/dbraw/zinc/65/41/33/536654133.db2.gz UCKQRTOAXUWNSN-SSDOTTSWSA-N 1 0 222.235 0.216 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N1CCC[C@@H]1C(C)(C)C ZINC000262192344 536655266 /nfs/dbraw/zinc/65/52/66/536655266.db2.gz MCQJAHMRPATZTD-NXEZZACHSA-N 1 0 228.336 0.997 10 0 BCAERO COC[C@]1(C(=O)N[C@@H]2C[C@@H]2C)CC[NH2+]C1 ZINC000261531970 536656992 /nfs/dbraw/zinc/65/69/92/536656992.db2.gz IOLIZPWYHGLCOG-NGZCFLSTSA-N 1 0 212.293 0.137 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N1CCS[C@@H](C(C)C)C1 ZINC000262246183 536659169 /nfs/dbraw/zinc/65/91/69/536659169.db2.gz IFFYLARCEHYYNL-NXEZZACHSA-N 1 0 246.376 0.560 10 0 BCAERO COC[C@@H]([NH3+])C(=O)NCc1ccc(Cl)cn1 ZINC000262067020 536661034 /nfs/dbraw/zinc/66/10/34/536661034.db2.gz OPMHDHYRCAWAAT-SECBINFHSA-N 1 0 243.694 0.325 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N[C@@H](C)c1csc(C)n1 ZINC000262192646 536666759 /nfs/dbraw/zinc/66/67/59/536666759.db2.gz CLGYRRRRWMXHRE-POYBYMJQSA-N 1 0 243.332 0.602 10 0 BCAERO COc1cc(C)nc(N2CC[C@H]3[NH2+]CC[C@H]3C2)n1 ZINC000261575494 536700588 /nfs/dbraw/zinc/70/05/88/536700588.db2.gz NDBHCNYVTKHTBL-WDEREUQCSA-N 1 0 248.330 0.982 10 0 BCAERO COc1cc(C)nc(N2CC[C@@H]([C@H](C)[NH3+])C2)n1 ZINC000252794961 536700598 /nfs/dbraw/zinc/70/05/98/536700598.db2.gz ZRHNPRYUZRQUDH-VHSXEESVSA-N 1 0 236.319 0.967 10 0 BCAERO COc1ccc(N2CC[C@@H]3C[NH2+][C@@H]3C2)cn1 ZINC000035080256 536706910 /nfs/dbraw/zinc/70/69/10/536706910.db2.gz AKHVAZATPKHABW-MWLCHTKSSA-N 1 0 219.288 0.888 10 0 BCAERO COCCN(C)C(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000085011457 536769988 /nfs/dbraw/zinc/76/99/88/536769988.db2.gz FSFXJEASYSGMEZ-IUCAKERBSA-N 1 0 200.282 0.219 10 0 BCAERO COC[C@@]1(C(=O)N[C@@H](C)C(C)C)CC[NH2+]C1 ZINC000261586959 536816665 /nfs/dbraw/zinc/81/66/65/536816665.db2.gz RKWJDBALGDJOHL-CMPLNLGQSA-N 1 0 228.336 0.773 10 0 BCAERO COC[C@H]([NH3+])C(=O)NC[C@@H]1CCC[C@H](C)C1 ZINC000261533977 536863771 /nfs/dbraw/zinc/86/37/71/536863771.db2.gz MJWWOWHAFSKYFE-AXFHLTTASA-N 1 0 228.336 0.903 10 0 BCAERO COC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(C)(C)C ZINC000262192346 536859940 /nfs/dbraw/zinc/85/99/40/536859940.db2.gz MCQJAHMRPATZTD-UWVGGRQHSA-N 1 0 228.336 0.997 10 0 BCAERO COC[C@@H](C)C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000261761491 536864705 /nfs/dbraw/zinc/86/47/05/536864705.db2.gz JRBJGFOORZJBBW-LLVKDONJSA-N 1 0 240.347 0.871 10 0 BCAERO CO[C@H](C)[C@H](C)[NH2+]C[C@@H](C)N1CCOCC1 ZINC000166545517 536875207 /nfs/dbraw/zinc/87/52/07/536875207.db2.gz CDMQGNYPZAMOIM-GRYCIOLGSA-N 1 0 230.352 0.720 10 0 BCAERO CO[C@H](C)[C@H](C)[NH2+]C[C@H](C)N1CCOCC1 ZINC000166545406 536877093 /nfs/dbraw/zinc/87/70/93/536877093.db2.gz CDMQGNYPZAMOIM-SDDRHHMPSA-N 1 0 230.352 0.720 10 0 BCAERO C[C@@H]([C@H]([NH3+])C(N)=O)n1ccnc1C1CC1 ZINC000704164045 582938500 /nfs/dbraw/zinc/93/85/00/582938500.db2.gz CVXCBBCQWREJOZ-XPUUQOCRSA-N 1 0 208.265 0.134 10 0 BCAERO C[C@@H]([NH3+])CCCCn1cc(S(C)(=O)=O)cn1 ZINC000725253003 538035053 /nfs/dbraw/zinc/03/50/53/538035053.db2.gz QNQUOJFKKRBMJI-SECBINFHSA-N 1 0 245.348 0.804 10 0 BCAERO CC(C)[NH2+]Cc1[nH]nnc1-c1ccnn1C ZINC000725257889 538069568 /nfs/dbraw/zinc/06/95/68/538069568.db2.gz ZBYXBWFCPFMOHM-UHFFFAOYSA-N 1 0 220.280 0.703 10 0 BCAERO [NH3+]C[C@@H]1CCCN1CC(=O)NC1CCCCC1 ZINC000111381076 588747140 /nfs/dbraw/zinc/74/71/40/588747140.db2.gz QCQJUQWJHXINSW-LBPRGKRZSA-N 1 0 239.363 0.858 10 0 BCAERO C[NH2+]Cc1csc([C@@H](O)CCOC)n1 ZINC000757127637 582503030 /nfs/dbraw/zinc/50/30/30/582503030.db2.gz JOBAERZEKQVZLR-QMMMGPOBSA-N 1 0 216.306 0.932 10 0 BCAERO COCC[C@@H](O)c1nc(C)c(C[NH3+])s1 ZINC000757128480 582503081 /nfs/dbraw/zinc/50/30/81/582503081.db2.gz LADWVZIQIHDAIG-SSDOTTSWSA-N 1 0 216.306 0.980 10 0 BCAERO O=S1(=O)CC[C@@]2(C1)[NH2+][C@H](C1CC1)CCO2 ZINC000757139318 582518883 /nfs/dbraw/zinc/51/88/83/582518883.db2.gz GCGNXQWBKUSZJA-VHSXEESVSA-N 1 0 231.317 0.290 10 0 BCAERO C[NH2+][C@H](C)C(=O)N[C@@H]1CC[C@H](SC)C1 ZINC000300383068 582519730 /nfs/dbraw/zinc/51/97/30/582519730.db2.gz HHGQSWZDGFBNDN-HLTSFMKQSA-N 1 0 216.350 0.995 10 0 BCAERO CC(C)[C@H]1C[NH2+][C@@]2(CCS(=O)(=O)C2)OC1 ZINC000757139923 582520169 /nfs/dbraw/zinc/52/01/69/582520169.db2.gz ADFXIMGVVDVBDM-UWVGGRQHSA-N 1 0 233.333 0.393 10 0 BCAERO C1OCC12C[NH2+][C@]1(CN3CCC1CC3)OC2 ZINC000757139849 582520348 /nfs/dbraw/zinc/52/03/48/582520348.db2.gz IMAROQIPPLZBMC-GFCCVEGCSA-N 1 0 224.304 0.045 10 0 BCAERO Cc1c[nH+]c(N2CC[C@@H]2C(N)=O)cc1N ZINC000757140026 582520381 /nfs/dbraw/zinc/52/03/81/582520381.db2.gz DKYARJKHSFRUFD-MRVPVSSYSA-N 1 0 206.249 0.036 10 0 BCAERO CC(C)n1ccnc1CN1CC[C@H]1C[NH3+] ZINC000757140472 582520943 /nfs/dbraw/zinc/52/09/43/582520943.db2.gz BWYMHJGHEPKDJN-JTQLQIEISA-N 1 0 208.309 0.997 10 0 BCAERO C1OCC12C[NH2+][C@]1(CCCOCC1)OC2 ZINC000757141373 582521861 /nfs/dbraw/zinc/52/18/61/582521861.db2.gz KRTCDXUFADVDGY-LLVKDONJSA-N 1 0 213.277 0.520 10 0 BCAERO NC(=O)[C@@H]1CCN1[C@H]1CCCCC[C@H]1[NH3+] ZINC000757146195 582529339 /nfs/dbraw/zinc/52/93/39/582529339.db2.gz NURXIKVERFHBSR-UTLUCORTSA-N 1 0 211.309 0.206 10 0 BCAERO NC(=O)[C@@H]1CCN1[C@@H]1CCCCC[C@H]1[NH3+] ZINC000757146187 582529460 /nfs/dbraw/zinc/52/94/60/582529460.db2.gz NURXIKVERFHBSR-BBBLOLIVSA-N 1 0 211.309 0.206 10 0 BCAERO CC[NH+]1CCC2(CC1)NCC1(COC1)CO2 ZINC000757146205 582529463 /nfs/dbraw/zinc/52/94/63/582529463.db2.gz RFZXAUFESSVBEC-UHFFFAOYSA-N 1 0 226.320 0.435 10 0 BCAERO COC[C@@H]1CCO[C@]2(CCC[N@H+](C)CC2)N1 ZINC000757146252 582529600 /nfs/dbraw/zinc/52/96/00/582529600.db2.gz JVLRKECTNZYZBX-RYUDHWBXSA-N 1 0 228.336 0.823 10 0 BCAERO COC[C@@H]1CCO[C@@]2(CCC[N@H+](C)CC2)N1 ZINC000757146248 582529806 /nfs/dbraw/zinc/52/98/06/582529806.db2.gz JVLRKECTNZYZBX-NWDGAFQWSA-N 1 0 228.336 0.823 10 0 BCAERO C1CC1[NH+]1CCC2(CC1)NCC1(COC1)CO2 ZINC000757147085 582530337 /nfs/dbraw/zinc/53/03/37/582530337.db2.gz RXPJKCVYAIYHOA-UHFFFAOYSA-N 1 0 238.331 0.577 10 0 BCAERO [NH3+]C[C@H]1CCN1c1nc(C2CC2)ns1 ZINC000757146830 582530552 /nfs/dbraw/zinc/53/05/52/582530552.db2.gz OWABIRXVQVYETH-SSDOTTSWSA-N 1 0 210.306 0.953 10 0 BCAERO COC[C@@H]1CCOC2(CCOCC2)[NH2+]1 ZINC000757147367 582531258 /nfs/dbraw/zinc/53/12/58/582531258.db2.gz LNDXQYGYCQVHPK-VIFPVBQESA-N 1 0 201.266 0.518 10 0 BCAERO COC[C@@H]1CCO[C@@]2(CN3CCC2CC3)[NH2+]1 ZINC000757148707 582531803 /nfs/dbraw/zinc/53/18/03/582531803.db2.gz OAMLLYNYDVKLNU-NWDGAFQWSA-N 1 0 226.320 0.433 10 0 BCAERO COC[C@H]1CCO[C@]2(CCSC2)[NH2+]1 ZINC000757148264 582532206 /nfs/dbraw/zinc/53/22/06/582532206.db2.gz MYZWEHLLLFBAQS-BDAKNGLRSA-N 1 0 203.307 0.845 10 0 BCAERO COC[C@H]1CCO[C@]2(CN3CCC2CC3)[NH2+]1 ZINC000757148696 582532440 /nfs/dbraw/zinc/53/24/40/582532440.db2.gz OAMLLYNYDVKLNU-NEPJUHHUSA-N 1 0 226.320 0.433 10 0 BCAERO CC(C)(C)[C@H](C[NH3+])CN1CC[C@@H]1C(N)=O ZINC000757148902 582532637 /nfs/dbraw/zinc/53/26/37/582532637.db2.gz UIDXSDUACRAFJO-RKDXNWHRSA-N 1 0 213.325 0.167 10 0 BCAERO C[NH+]1CCC2(CC1)NCC1(COC1)CO2 ZINC000757150149 582533599 /nfs/dbraw/zinc/53/35/99/582533599.db2.gz XPIIMYNREYYNGE-UHFFFAOYSA-N 1 0 212.293 0.045 10 0 BCAERO CC(C)S(=O)(=O)CCCN1CC[C@@H]1C[NH3+] ZINC000757150440 582535006 /nfs/dbraw/zinc/53/50/06/582535006.db2.gz WHXZOGHDKLQIGZ-SNVBAGLBSA-N 1 0 234.365 0.233 10 0 BCAERO CCN(C)S(=O)(=O)C[C@H]([NH3+])C1CC1 ZINC000757151626 582536170 /nfs/dbraw/zinc/53/61/70/582536170.db2.gz NCOQIONCXSYUBU-QMMMGPOBSA-N 1 0 206.311 0.005 10 0 BCAERO CCN(C)S(=O)(=O)C[C@@H]([NH3+])c1cccnc1 ZINC000757152454 582536820 /nfs/dbraw/zinc/53/68/20/582536820.db2.gz MABOXDLQXVNDEF-SNVBAGLBSA-N 1 0 243.332 0.363 10 0 BCAERO [NH3+]C[C@H]1CCN1c1cc(C2CC2)ncn1 ZINC000757153610 582539319 /nfs/dbraw/zinc/53/93/19/582539319.db2.gz VKAVSZDLIGDMKX-SECBINFHSA-N 1 0 204.277 0.891 10 0 BCAERO CC(C)[C@H](C[N@@H+]1CC[C@H]1C(N)=O)C(N)=S ZINC000757157139 582540999 /nfs/dbraw/zinc/54/09/99/582540999.db2.gz MPUQYGOKZCDWHV-YUMQZZPRSA-N 1 0 229.349 0.104 10 0 BCAERO CNc1cccc(N2CC[C@H]2C(N)=O)[nH+]1 ZINC000757159478 582541944 /nfs/dbraw/zinc/54/19/44/582541944.db2.gz QCZDYWPHSYDSFT-ZETCQYMHSA-N 1 0 206.249 0.187 10 0 BCAERO COC(=O)c1c[nH]nc1[C@H]1CCC[NH2+]C1 ZINC000757171895 582552006 /nfs/dbraw/zinc/55/20/06/582552006.db2.gz ZILLHRISBUHYKQ-ZETCQYMHSA-N 1 0 209.249 0.663 10 0 BCAERO CC(C)(C)OC(=O)N1CC([C@H](C[NH3+])CO)C1 ZINC000757193550 582557376 /nfs/dbraw/zinc/55/73/76/582557376.db2.gz XCGUCUAKRJSJNT-MRVPVSSYSA-N 1 0 230.308 0.421 10 0 BCAERO [NH3+]CCCc1nc2n(n1)[C@H](C(F)F)CCN2 ZINC000236188113 582641191 /nfs/dbraw/zinc/64/11/91/582641191.db2.gz DZXQWHLXICBQTN-LURJTMIESA-N 1 0 231.250 0.791 10 0 BCAERO [NH3+]CCc1nc2n(n1)[C@H](C1CC1)CCN2 ZINC000236241747 582642241 /nfs/dbraw/zinc/64/22/41/582642241.db2.gz UXHYTNBBLJRPEI-QMMMGPOBSA-N 1 0 207.281 0.546 10 0 BCAERO [NH3+]CCc1nc2n(n1)[C@@H]1CCC[C@H]1CN2 ZINC000236246725 582643127 /nfs/dbraw/zinc/64/31/27/582643127.db2.gz UWZCVKWJUSKERT-JGVFFNPUSA-N 1 0 207.281 0.546 10 0 BCAERO OCC[C@@H]1C[NH+]=C2N[C@H]3CCCC[C@@H]3N2C1 ZINC000236496260 582657629 /nfs/dbraw/zinc/65/76/29/582657629.db2.gz RJQZJBGFNAAMQT-VWYCJHECSA-N 1 0 223.320 0.571 10 0 BCAERO COC(=O)c1cccc2c1C[NH2+]CCO2 ZINC000238413618 582670770 /nfs/dbraw/zinc/67/07/70/582670770.db2.gz UXRUDVVDJNAMAY-UHFFFAOYSA-N 1 0 207.229 0.955 10 0 BCAERO CC(C)S(=O)(=O)N1CCCC[C@H](C[NH3+])C1 ZINC000308807663 582728426 /nfs/dbraw/zinc/72/84/26/582728426.db2.gz GJTOVFOIQIVPJA-SNVBAGLBSA-N 1 0 234.365 0.785 10 0 BCAERO [NH3+]CC1([C@@H]2CCCO2)CCS(=O)(=O)CC1 ZINC000725255118 582760039 /nfs/dbraw/zinc/76/00/39/582760039.db2.gz SMIOQABBOIFIQC-VIFPVBQESA-N 1 0 233.333 0.319 10 0 BCAERO CC(C)c1nccn1C[C@@](C)([NH3+])C(N)=O ZINC000045430524 582815008 /nfs/dbraw/zinc/81/50/08/582815008.db2.gz OVGMAAJHLYSFSV-SNVBAGLBSA-N 1 0 210.281 0.209 10 0 BCAERO CC(=O)[C@H]1CCC[N@H+](CCN2CCNC2=O)C1 ZINC000111712949 582861280 /nfs/dbraw/zinc/86/12/80/582861280.db2.gz RVPASDYGDDWJIW-NSHDSACASA-N 1 0 239.319 0.313 10 0 BCAERO CN(C)C(=O)c1c[nH]c(C2CC[NH2+]CC2)n1 ZINC000708146717 582976147 /nfs/dbraw/zinc/97/61/47/582976147.db2.gz RWCCBXGPOGBTMC-UHFFFAOYSA-N 1 0 222.292 0.579 10 0 BCAERO CCCC(=O)NC[C@]1(CC)C[NH2+]CCO1 ZINC000675059066 583170139 /nfs/dbraw/zinc/17/01/39/583170139.db2.gz JBGKDILWZIPUIG-NSHDSACASA-N 1 0 214.309 0.671 10 0 BCAERO C[C@H](CCCCO)[NH2+]C1CCN(CCO)CC1 ZINC000399099106 583170281 /nfs/dbraw/zinc/17/02/81/583170281.db2.gz ZNYOBWNLONORGC-GFCCVEGCSA-N 1 0 244.379 0.584 10 0 BCAERO COCC[NH2+]CCNc1nc(C)cc(C)n1 ZINC000215514215 583572726 /nfs/dbraw/zinc/57/27/26/583572726.db2.gz UQRDTQKYHMPFED-UHFFFAOYSA-N 1 0 224.308 0.741 10 0 BCAERO CC(C)NC(=O)NC1CCN(CC[NH3+])CC1 ZINC000082491424 583801187 /nfs/dbraw/zinc/80/11/87/583801187.db2.gz ZRTAPBKLXLMKJI-UHFFFAOYSA-N 1 0 228.340 0.117 10 0 BCAERO CCC(F)(F)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000205326274 584015794 /nfs/dbraw/zinc/01/57/94/584015794.db2.gz AQWUHNUSDVWUMC-SSDOTTSWSA-N 1 0 206.236 0.981 10 0 BCAERO CO[C@H](C)C[NH2+][C@H]1CCN(C(C)=O)C[C@@H]1C ZINC000393798556 584927044 /nfs/dbraw/zinc/92/70/44/584927044.db2.gz QQIHSBJZBHGIPD-UMNHJUIQSA-N 1 0 228.336 0.868 10 0 BCAERO CCN1CCO[C@H](C[NH3+])[C@H]1c1nccn1C ZINC000385382564 585037187 /nfs/dbraw/zinc/03/71/87/585037187.db2.gz SKBREXSZSGLXRL-ZJUUUORDSA-N 1 0 224.308 0.141 10 0 BCAERO CCOc1nccnc1N1CC[C@@H]1C[NH3+] ZINC000757146025 586428306 /nfs/dbraw/zinc/42/83/06/586428306.db2.gz MYAUZFOOECJWLG-MRVPVSSYSA-N 1 0 208.265 0.413 10 0 BCAERO NC(=O)[C@@H]1CCN1[C@@H](C[NH3+])c1ccsc1 ZINC000757144384 586428385 /nfs/dbraw/zinc/42/83/85/586428385.db2.gz JYUIKNJAIYDTQR-IUCAKERBSA-N 1 0 225.317 0.308 10 0 BCAERO [NH3+][C@H](CS(=O)(=O)N1CCCCC1)C1CC1 ZINC000757150890 586428837 /nfs/dbraw/zinc/42/88/37/586428837.db2.gz JMTQVJVCNUUIQJ-SNVBAGLBSA-N 1 0 232.349 0.539 10 0 BCAERO [NH3+][C@@H](CS(=O)(=O)N1CCC1)C1CCCCC1 ZINC000757152390 586429262 /nfs/dbraw/zinc/42/92/62/586429262.db2.gz LGXFBYXDISZZJH-NSHDSACASA-N 1 0 246.376 0.930 10 0 BCAERO CC(C)(C)[C@@H]([NH3+])CS(=O)(=O)N1CCC1 ZINC000757152389 586429726 /nfs/dbraw/zinc/42/97/26/586429726.db2.gz VOWQSUVELRTSGJ-QMMMGPOBSA-N 1 0 220.338 0.395 10 0 BCAERO CNc1cc[nH+]c(N2CC[C@@H]2C(N)=O)c1 ZINC000757156431 586429887 /nfs/dbraw/zinc/42/98/87/586429887.db2.gz KQXZNMBWMDZHML-MRVPVSSYSA-N 1 0 206.249 0.187 10 0 BCAERO CC(C)(C)OC(=O)N[C@H]1C[C@H](O)C12C[NH2+]C2 ZINC000757168360 586432525 /nfs/dbraw/zinc/43/25/25/586432525.db2.gz CZMQIEKUJUCUFG-YUMQZZPRSA-N 1 0 228.292 0.234 10 0 BCAERO CN1CC[C@@]2(C[NH2+]C[C@H]2C(=O)OC(C)(C)C)C1 ZINC000757184014 586434181 /nfs/dbraw/zinc/43/41/81/586434181.db2.gz GVTSZJWNMQXYAH-GXFFZTMASA-N 1 0 240.347 0.869 10 0 BCAERO CN1CC[C@@]2(C[NH2+]C[C@@H]2C(=O)OC(C)(C)C)C1 ZINC000757184016 586434216 /nfs/dbraw/zinc/43/42/16/586434216.db2.gz GVTSZJWNMQXYAH-ZWNOBZJWSA-N 1 0 240.347 0.869 10 0 BCAERO O=C([O-])[C@@H]1C[NH2+]C[C@]12C[NH+]1CCC2CC1 ZINC000757183668 586434228 /nfs/dbraw/zinc/43/42/28/586434228.db2.gz FDPLUTZGUBIKKF-GXSJLCMTSA-N 1 0 210.277 0.002 10 0 BCAERO O=C([O-])[C@H]1C[NH2+]CC12CC[NH+](C1CC1)CC2 ZINC000757186052 586434728 /nfs/dbraw/zinc/43/47/28/586434728.db2.gz VLCWDHDGLJHKOJ-SNVBAGLBSA-N 1 0 224.304 0.535 10 0 BCAERO COC(=O)[C@H](CO)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000757192317 586435786 /nfs/dbraw/zinc/43/57/86/586435786.db2.gz PYBMKWZTVDKAHK-FWKUWYBHSA-N 1 0 213.277 0.299 10 0 BCAERO CCOC(=O)[C@@H]1C[NH2+]C[C@@H]1c1ccc[nH]1 ZINC000757192109 586435914 /nfs/dbraw/zinc/43/59/14/586435914.db2.gz VHJJBEKPSXVYGB-DTWKUNHWSA-N 1 0 208.261 0.881 10 0 BCAERO [NH3+]Cc1cccc([C@H]2CC[NH2+]C[C@@H]2C(=O)[O-])c1 ZINC000757208022 586438064 /nfs/dbraw/zinc/43/80/64/586438064.db2.gz CBXKKAPZXDDTFU-NEPJUHHUSA-N 1 0 234.299 0.923 10 0 BCAERO C[C@@H]1C[C@H](C(=O)[O-])C[C@@H]([C@@H]2CCC[NH2+]C2)[NH2+]1 ZINC000757210637 586438508 /nfs/dbraw/zinc/43/85/08/586438508.db2.gz GJLDPNJVRVVDFZ-ZNSHCXBVSA-N 1 0 226.320 0.827 10 0 BCAERO [NH3+]Cc1cccc([C@@H]2C[NH2+]C[C@@H](C(=O)[O-])C2)c1 ZINC000757211628 586438914 /nfs/dbraw/zinc/43/89/14/586438914.db2.gz HURMBAKOHTWHFH-RYUDHWBXSA-N 1 0 234.299 0.923 10 0 BCAERO O=C([O-])[C@@H]1CC[NH2+]C[C@H]1[C@H]1CCC[NH2+]C1 ZINC000757215747 586440644 /nfs/dbraw/zinc/44/06/44/586440644.db2.gz NXQJTEDIGIHVFY-AEJSXWLSSA-N 1 0 212.293 0.296 10 0 BCAERO CCOC(=O)[C@@H]1CCC[NH2+][C@@H]1c1cnnn1C ZINC000757215608 586440724 /nfs/dbraw/zinc/44/07/24/586440724.db2.gz WGZIAULMRYBLHS-SCZZXKLOSA-N 1 0 238.291 0.419 10 0 BCAERO [NH3+]Cc1cccc([C@@H]2C[NH2+]CC[C@@H]2C(=O)[O-])c1 ZINC000757218236 586441655 /nfs/dbraw/zinc/44/16/55/586441655.db2.gz UQGLCAJVYWLDTK-RYUDHWBXSA-N 1 0 234.299 0.923 10 0 BCAERO [NH3+]Cc1cccc([C@H]2C[NH2+]CC[C@H]2C(=O)[O-])c1 ZINC000757218239 586441715 /nfs/dbraw/zinc/44/17/15/586441715.db2.gz UQGLCAJVYWLDTK-VXGBXAGGSA-N 1 0 234.299 0.923 10 0 BCAERO O=C([O-])[C@@H]1C[NH2+]CC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000757218286 586441805 /nfs/dbraw/zinc/44/18/05/586441805.db2.gz UWAUYBURBHRRMB-KXUCPTDWSA-N 1 0 212.293 0.296 10 0 BCAERO [NH3+]C[C@@H]1OC(=O)C[C@]12CCCSC2 ZINC000757225292 586442533 /nfs/dbraw/zinc/44/25/33/586442533.db2.gz SFIMQSTXVUXPLJ-CBAPKCEASA-N 1 0 201.291 0.774 10 0 BCAERO CCn1cc([C@H]2CC[C@H](CN)[NH2+]C2)cn1 ZINC000757227313 586442594 /nfs/dbraw/zinc/44/25/94/586442594.db2.gz BMFYLFDZZXRANZ-GXSJLCMTSA-N 1 0 208.309 0.697 10 0 BCAERO [NH3+]C[C@H]1OC(=O)CC12CCSCC2 ZINC000757224190 586442671 /nfs/dbraw/zinc/44/26/71/586442671.db2.gz ODPCSDNNEVDAHA-SSDOTTSWSA-N 1 0 201.291 0.774 10 0 BCAERO CCn1cc([C@@H]2CC[C@H](CN)[NH2+]C2)cn1 ZINC000757227324 586442710 /nfs/dbraw/zinc/44/27/10/586442710.db2.gz BMFYLFDZZXRANZ-MWLCHTKSSA-N 1 0 208.309 0.697 10 0 BCAERO CCn1cc([C@@H]2NC[C@H]([NH3+])C[C@@H]2C)cn1 ZINC000757227136 586442753 /nfs/dbraw/zinc/44/27/53/586442753.db2.gz AWQHMMSGRMIVMH-JMJZKYOTSA-N 1 0 208.309 0.901 10 0 BCAERO C[C@@H]1C[C@H]([C@@H]2C[NH2+]C[C@H](C(=O)[O-])C2)CC[NH2+]1 ZINC000757232414 586442990 /nfs/dbraw/zinc/44/29/90/586442990.db2.gz IEEZBUASFRBRGY-CHWFTXMASA-N 1 0 226.320 0.685 10 0 BCAERO CCn1cc([C@@H]2NC[C@H](C)C[C@H]2[NH3+])cn1 ZINC000757235785 586443526 /nfs/dbraw/zinc/44/35/26/586443526.db2.gz MTGUWQZLEAVQMW-IEBDPFPHSA-N 1 0 208.309 0.901 10 0 BCAERO Cn1c(N2CCC[NH2+]CC2)nc2cccnc21 ZINC000757564894 586461082 /nfs/dbraw/zinc/46/10/82/586461082.db2.gz GXMOLJCIDHHHBA-UHFFFAOYSA-N 1 0 231.303 0.768 10 0 BCAERO COCC[C@H](C)n1nnc2c1nc[nH+]c2NN ZINC000757569597 586462325 /nfs/dbraw/zinc/46/23/25/586462325.db2.gz UBLQKXBBAQBULS-LURJTMIESA-N 1 0 237.267 0.104 10 0 BCAERO CCC(=O)NCc1ccncc1O[C@H]1CC[NH2+]C1 ZINC000864301020 589353493 /nfs/dbraw/zinc/35/34/93/589353493.db2.gz DOBCUJNDHRVXSX-NSHDSACASA-N 1 0 249.314 0.849 10 0 BCAERO Cn1ccnc1-c1noc([C@H]2CCC[NH2+]C2)n1 ZINC000122106545 589554032 /nfs/dbraw/zinc/55/40/32/589554032.db2.gz HVXGXBOGBJDKRO-QMMMGPOBSA-N 1 0 233.275 0.937 10 0 BCAERO CCNC(=S)N1CC[C@@H]([NH+](C)C)C1 ZINC000122384951 589584749 /nfs/dbraw/zinc/58/47/49/589584749.db2.gz OGAIUARROOVRDW-MRVPVSSYSA-N 1 0 201.339 0.517 10 0 BCAERO C[NH+](C)[C@H]1CCN(C(=O)N2CCCC2)C1 ZINC000122401853 589585969 /nfs/dbraw/zinc/58/59/69/589585969.db2.gz MBAXUQGTSMDVAL-JTQLQIEISA-N 1 0 211.309 0.838 10 0 BCAERO CC(C)[C@@H]([NH3+])Cc1nc(-c2nccn2C)no1 ZINC000122807745 589633833 /nfs/dbraw/zinc/63/38/33/589633833.db2.gz GSPIIZLMXGEOOJ-QMMMGPOBSA-N 1 0 235.291 0.996 10 0 BCAERO C[C@@H]1CN(C(=O)n2ccnc2)C[C@H]1[NH+](C)C ZINC000123932719 589863383 /nfs/dbraw/zinc/86/33/83/589863383.db2.gz DGPGGNHPKCTBSH-NXEZZACHSA-N 1 0 222.292 0.733 10 0 BCAERO C[C@H]1CN(c2cncc(Cl)n2)CC[NH2+]1 ZINC000126497820 590321313 /nfs/dbraw/zinc/32/13/13/590321313.db2.gz YWQUIXCDNNKXOO-ZETCQYMHSA-N 1 0 212.684 0.928 10 0 BCAERO Clc1cncc(NC[C@@H]2C[NH2+]CCO2)n1 ZINC000126520573 590324467 /nfs/dbraw/zinc/32/44/67/590324467.db2.gz DRJKMSACRLCYRX-ZETCQYMHSA-N 1 0 228.683 0.530 10 0 BCAERO COCC[NH2+]CCNc1cncc(Cl)n1 ZINC000126521758 590330903 /nfs/dbraw/zinc/33/09/03/590330903.db2.gz AOTMPOKJXSARGD-UHFFFAOYSA-N 1 0 230.699 0.778 10 0 BCAERO CC1(C)CN(C(=O)C2([NH3+])CCOCC2)CCO1 ZINC000127763259 590773896 /nfs/dbraw/zinc/77/38/96/590773896.db2.gz GVTMYFVMQOZYFD-UHFFFAOYSA-N 1 0 242.319 0.132 10 0 BCAERO CC(C)(C)OC(=O)N1CC[C@@]([NH3+])(CC(N)=O)C1 ZINC000211415665 591165217 /nfs/dbraw/zinc/16/52/17/591165217.db2.gz OCMVFJQRTFQNAG-LLVKDONJSA-N 1 0 243.307 0.200 10 0 BCAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)[C@@H]1CSC(=O)N1 ZINC000129457128 591302054 /nfs/dbraw/zinc/30/20/54/591302054.db2.gz JJYFLKAUZLSRLI-RNJXMRFFSA-N 1 0 243.332 0.068 10 0 BCAERO Cc1nc(C(=O)N[C@H]2CCC[NH2+][C@@H]2C)no1 ZINC000129465944 591303504 /nfs/dbraw/zinc/30/35/04/591303504.db2.gz LBKKSKZNSWOORT-SVRRBLITSA-N 1 0 224.264 0.248 10 0 BCAERO [NH3+][C@H](CC(=O)NCC[C@@H]1CCCO1)C1CC1 ZINC000129812096 591410417 /nfs/dbraw/zinc/41/04/17/591410417.db2.gz PYCPQWPMKLOGOF-WDEREUQCSA-N 1 0 226.320 0.799 10 0 BCAERO [NH3+][C@@H](CC(=O)N[C@@H]1CCCOC1)C1CC1 ZINC000129880060 591414772 /nfs/dbraw/zinc/41/47/72/591414772.db2.gz WCZGLVACVBHMTN-ZJUUUORDSA-N 1 0 212.293 0.409 10 0 BCAERO COC(=O)c1cnc(N(C)C[C@H](C)[NH3+])nc1 ZINC000212596653 591416514 /nfs/dbraw/zinc/41/65/14/591416514.db2.gz LYYNNVFAAUUQNQ-ZETCQYMHSA-N 1 0 224.264 0.047 10 0 BCAERO COc1nc(C)nc(N(C)C[C@H](C)[NH3+])c1C ZINC000212605991 591418662 /nfs/dbraw/zinc/41/86/62/591418662.db2.gz SRLIXADHBICKLU-ZETCQYMHSA-N 1 0 224.308 0.885 10 0 BCAERO CO[C@]1(C[NH3+])CCN(C(=O)OC(C)(C)C)C1 ZINC000212730555 591426915 /nfs/dbraw/zinc/42/69/15/591426915.db2.gz GAWUMZPUYJGKMV-NSHDSACASA-N 1 0 230.308 0.971 10 0 BCAERO C[C@H](NC(=O)c1ccnc(C[NH3+])c1)[C@@H]1CCCO1 ZINC000129983530 591427548 /nfs/dbraw/zinc/42/75/48/591427548.db2.gz FFZAALGDDAYSSG-CABZTGNLSA-N 1 0 249.314 0.838 10 0 BCAERO [NH3+]Cc1cc(C(=O)NC[C@H]2CCC[C@H]2O)ccn1 ZINC000130367391 591462460 /nfs/dbraw/zinc/46/24/60/591462460.db2.gz VUZIBCXPIXSLDV-ZYHUDNBSSA-N 1 0 249.314 0.431 10 0 BCAERO C[NH2+]CCc1nc([C@H](OC)C2CC2)no1 ZINC000131254618 591578747 /nfs/dbraw/zinc/57/87/47/591578747.db2.gz ZRBWINSBOMLOSL-SECBINFHSA-N 1 0 211.265 0.929 10 0 BCAERO c1cc(-c2noc([C@H]3CCC[NH2+]C3)n2)ncn1 ZINC000131964379 591680401 /nfs/dbraw/zinc/68/04/01/591680401.db2.gz CHBVNKQYNZIHOC-QMMMGPOBSA-N 1 0 231.259 0.994 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)c1ccnnc1 ZINC000132422849 591707895 /nfs/dbraw/zinc/70/78/95/591707895.db2.gz LZNSXZNCOXMWSS-WCBMZHEXSA-N 1 0 220.276 0.334 10 0 BCAERO CC(C)(C[NH3+])C(=O)NC[C@H]1CCCC[C@@H]1O ZINC000133142660 591768660 /nfs/dbraw/zinc/76/86/60/591768660.db2.gz OTWKDTMMOPAZBT-ZJUUUORDSA-N 1 0 228.336 0.639 10 0 BCAERO O=C(NC[C@@H]1CC[NH2+]C1)c1ccc2c(c1)CCO2 ZINC000133620123 591844098 /nfs/dbraw/zinc/84/40/98/591844098.db2.gz JEGMXCWHPFHPMR-SNVBAGLBSA-N 1 0 246.310 0.961 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)NOCC(F)(F)F ZINC000133908927 591869243 /nfs/dbraw/zinc/86/92/43/591869243.db2.gz XHUKWYNABYGPQS-PHDIDXHHSA-N 1 0 226.198 0.452 10 0 BCAERO C[C@@H]1OCC[C@H]1NC(=O)CCCCC[NH3+] ZINC000134259681 591907852 /nfs/dbraw/zinc/90/78/52/591907852.db2.gz LGXXCOYGLLKINQ-VHSXEESVSA-N 1 0 214.309 0.799 10 0 BCAERO C[C@H]1C[C@@H](C[NH3+])CN1c1ccnc(N(C)C)n1 ZINC000216154301 592011504 /nfs/dbraw/zinc/01/15/04/592011504.db2.gz SERSCWAWPJPKQL-UWVGGRQHSA-N 1 0 235.335 0.716 10 0 BCAERO CC(C)[C@H]1CCN(C(=O)C2([NH3+])CCOCC2)C1 ZINC000135442814 592013180 /nfs/dbraw/zinc/01/31/80/592013180.db2.gz OCJMOOXVMCREHH-NSHDSACASA-N 1 0 240.347 0.999 10 0 BCAERO CCOC(=O)[C@H](C)NC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000136180790 592100353 /nfs/dbraw/zinc/10/03/53/592100353.db2.gz LPIMNQHAYWRWQP-JOYOIKCWSA-N 1 0 242.319 0.586 10 0 BCAERO CC(=O)[C@@H]1CCC[N@@H+](CC(=O)N(C)C2CC2)C1 ZINC000104425948 592613198 /nfs/dbraw/zinc/61/31/98/592613198.db2.gz IWSWQUBSLODDES-LLVKDONJSA-N 1 0 238.331 0.908 10 0 BCAERO C[C@@H]1C[NH+](C[C@H]2CNC(=O)O2)C[C@@H](C)C1O ZINC000829281849 592707797 /nfs/dbraw/zinc/70/77/97/592707797.db2.gz OYOHPTLEEUVLAM-IWSPIJDZSA-N 1 0 228.292 0.044 10 0 BCAERO CC(C)OC[C@H](O)CN1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000299922943 634399869 /nfs/dbraw/zinc/39/98/69/634399869.db2.gz QAJIOYMYGIZQQR-YNEHKIRRSA-N 1 0 242.363 0.456 10 0 BCAERO Cc1nnc2c(N3CC[C@H](CC[NH3+])C3)nccn12 ZINC000125464505 634507954 /nfs/dbraw/zinc/50/79/54/634507954.db2.gz QXMRBDUSWZSTAK-JTQLQIEISA-N 1 0 246.318 0.608 10 0 BCAERO C[C@@H](O)[C@H](C)[NH2+]Cc1cc(C(N)=O)cs1 ZINC000336761190 635285394 /nfs/dbraw/zinc/28/53/94/635285394.db2.gz NBBLEOYTIGHVSU-NKWVEPMBSA-N 1 0 228.317 0.706 10 0 BCAERO C1COC2(CC[NH+]([C@@H]3CCOC3)CC2)O1 ZINC000095015467 635405052 /nfs/dbraw/zinc/40/50/52/635405052.db2.gz ZMQJWBOXQYDRKD-SNVBAGLBSA-N 1 0 213.277 0.614 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)NC[C@H](O)C(F)(F)F ZINC000225810145 635419378 /nfs/dbraw/zinc/41/93/78/635419378.db2.gz BFEPAGXRUDGSNF-RQJHMYQMSA-N 1 0 242.241 0.399 10 0 BCAERO COC(=O)N[C@H]1CC[N@@H+]([C@@H]2CCC[C@H]2O)C1 ZINC000226290544 635430922 /nfs/dbraw/zinc/43/09/22/635430922.db2.gz SOQBLRROEWKXGY-IVZWLZJFSA-N 1 0 228.292 0.330 10 0 BCAERO CC[C@H](O)C[N@@H+]1C[C@H](C)[C@H](C(=O)OC)C1 ZINC000095015400 635508890 /nfs/dbraw/zinc/50/88/90/635508890.db2.gz SUPQMDSUUQLOHK-LPEHRKFASA-N 1 0 215.293 0.498 10 0 BCAERO CCOC(=O)/C=C\C[NH2+][C@@H](C)COC ZINC000308317246 631282202 /nfs/dbraw/zinc/28/22/02/631282202.db2.gz BGCFGYVBMWWGKK-UDIARPCQSA-N 1 0 201.266 0.730 10 0 BCAERO CO[C@@H]1C[C@H]([NH2+]C[C@@](C)(O)CO)C12CCC2 ZINC000308348763 631295427 /nfs/dbraw/zinc/29/54/27/631295427.db2.gz RVXOQWWAJZFDKT-HBNTYKKESA-N 1 0 229.320 0.277 10 0 BCAERO Cc1cnc([C@@H](C)NC(=O)[C@H]2C[C@@H]([NH3+])C2)o1 ZINC000648154258 631319184 /nfs/dbraw/zinc/31/91/84/631319184.db2.gz MNJAKIQAPKNAOA-HLTSFMKQSA-N 1 0 223.276 0.898 10 0 BCAERO CC[S@@](=O)CC[NH2+]C[C@H](O)C(C)(C)C ZINC000308513652 631323002 /nfs/dbraw/zinc/32/30/02/631323002.db2.gz DFNCXOOKLJMXKI-LKFCYVNXSA-N 1 0 221.366 0.752 10 0 BCAERO CC(C)(C)[C@H](O)C[NH2+]CCS(C)(=O)=O ZINC000308564159 631431891 /nfs/dbraw/zinc/43/18/91/631431891.db2.gz XOWMTITXKNQWCT-MRVPVSSYSA-N 1 0 223.338 0.028 10 0 BCAERO [NH3+]C1CC(CNc2nccn3cnnc23)C1 ZINC000084447801 631438746 /nfs/dbraw/zinc/43/87/46/631438746.db2.gz GFRVLEJEQQAPAO-UHFFFAOYSA-N 1 0 218.264 0.274 10 0 BCAERO Cc1cncc(C(=O)NCC2CC([NH3+])C2)c1 ZINC000084446955 631440991 /nfs/dbraw/zinc/44/09/91/631440991.db2.gz VDJVXOVSGACPPH-UHFFFAOYSA-N 1 0 219.288 0.857 10 0 BCAERO Cc1cc(-c2nc([C@H](C)C[NH3+])no2)n(C)n1 ZINC000085165868 631456861 /nfs/dbraw/zinc/45/68/61/631456861.db2.gz DIZGZMUAWKWHSU-ZCFIWIBFSA-N 1 0 221.264 0.841 10 0 BCAERO CN(CCC[NH3+])c1ccc2nccnc2n1 ZINC000087200781 631477974 /nfs/dbraw/zinc/47/79/74/631477974.db2.gz WKMAPIJXCFHYRC-UHFFFAOYSA-N 1 0 217.276 0.810 10 0 BCAERO CCOC(=O)[C@H](C)NC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089460535 631506345 /nfs/dbraw/zinc/50/63/45/631506345.db2.gz AGDFFRBWHBSWHS-IVZWLZJFSA-N 1 0 242.319 0.429 10 0 BCAERO C[NH2+][C@@H](C)CNC(=O)CC[C@@H]1CCCO1 ZINC000234417478 631512949 /nfs/dbraw/zinc/51/29/49/631512949.db2.gz SBQDCDXUTZKYLR-UWVGGRQHSA-N 1 0 214.309 0.670 10 0 BCAERO [NH3+]CCCCCCNc1ccc2nnnn2n1 ZINC000236172639 631563123 /nfs/dbraw/zinc/56/31/23/631563123.db2.gz BKMSOEJXDVGZAY-UHFFFAOYSA-N 1 0 235.295 0.450 10 0 BCAERO C[NH2+][C@@H](C)CNc1ncnc2c1CCC2 ZINC000308782824 631646156 /nfs/dbraw/zinc/64/61/56/631646156.db2.gz DKYTVRRFXUAJAJ-QMMMGPOBSA-N 1 0 206.293 0.985 10 0 BCAERO C[C@H]([NH2+]C[C@@H]1CNC(=O)O1)[C@H]1CCCO1 ZINC000308974189 631769195 /nfs/dbraw/zinc/76/91/95/631769195.db2.gz GBOWLDZFHGRDAT-DJLDLDEBSA-N 1 0 214.265 0.252 10 0 BCAERO CN(C)c1noc(CC[C@H]2CCC[NH2+]2)n1 ZINC000309017250 631801685 /nfs/dbraw/zinc/80/16/85/631801685.db2.gz UZFLTXKTRQKVJR-MRVPVSSYSA-N 1 0 210.281 0.820 10 0 BCAERO C[C@@H]([NH2+]C[C@H]1CNC(=O)O1)c1cn[nH]c1 ZINC000309002270 631803318 /nfs/dbraw/zinc/80/33/18/631803318.db2.gz ONNLFIGAXMYXNK-SVRRBLITSA-N 1 0 210.237 0.169 10 0 BCAERO Cc1cnn(C[C@](C)([NH2+]C(C)C)C(N)=O)c1 ZINC000045436409 631837128 /nfs/dbraw/zinc/83/71/28/631837128.db2.gz PJDMJXDQQSOFGK-NSHDSACASA-N 1 0 224.308 0.434 10 0 BCAERO C[NH2+]C1(C(=O)N[C@@H]2CCC[C@H](O)C2)CCC1 ZINC000309282666 631993180 /nfs/dbraw/zinc/99/31/80/631993180.db2.gz UDSFNDMVUACLMJ-ZJUUUORDSA-N 1 0 226.320 0.548 10 0 BCAERO CC[NH2+][C@H](Cn1nc(C)c(Cl)c1C)C(N)=O ZINC000050588181 632031252 /nfs/dbraw/zinc/03/12/52/632031252.db2.gz IIPJTMACJSXIHA-MRVPVSSYSA-N 1 0 244.726 0.617 10 0 BCAERO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1C(=O)NCC1CC([NH3+])C1 ZINC000091524633 632049524 /nfs/dbraw/zinc/04/95/24/632049524.db2.gz ILSXUYFZHVIYDU-QOWIUPAFSA-N 1 0 240.347 0.899 10 0 BCAERO CC(C)OC[C@H](O)CN1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000250581326 635700050 /nfs/dbraw/zinc/70/00/50/635700050.db2.gz JMILMWISPAMRHD-UPJWGTAASA-N 1 0 244.379 0.974 10 0 BCAERO O=C1NC[C@H](C[N@H+]2CCC[C@H](CCO)C2)O1 ZINC000252444977 635708314 /nfs/dbraw/zinc/70/83/14/635708314.db2.gz JZZCDSJLZGMKMP-NXEZZACHSA-N 1 0 228.292 0.189 10 0 BCAERO Cc1cnn(CCNC(=O)C[C@@H](C)[NH3+])c1 ZINC000235153764 632103366 /nfs/dbraw/zinc/10/33/66/632103366.db2.gz VTIGCVHUYPNOHW-SECBINFHSA-N 1 0 210.281 0.045 10 0 BCAERO COC[C@@H](C)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000237156861 635777147 /nfs/dbraw/zinc/77/71/47/635777147.db2.gz CLSMJAJEPCBMMB-ZJUUUORDSA-N 1 0 214.309 0.385 10 0 BCAERO CCC1(C(=O)N2CCC[C@H]([NH3+])C2)COC1 ZINC000309512101 632432930 /nfs/dbraw/zinc/43/29/30/632432930.db2.gz XOWLBUCXYCIPAU-VIFPVBQESA-N 1 0 212.293 0.363 10 0 BCAERO CN(C)c1noc(C[C@H]2CCC[NH2+]C2)n1 ZINC000161906574 632450442 /nfs/dbraw/zinc/45/04/42/632450442.db2.gz INEPIVLKBKMYCD-MRVPVSSYSA-N 1 0 210.281 0.678 10 0 BCAERO COC(=O)C[C@H]([NH2+][C@@H]1CCOC1)C1CC1 ZINC000308930823 632492673 /nfs/dbraw/zinc/49/26/73/632492673.db2.gz JNKSUGXNXZRBDZ-ZJUUUORDSA-N 1 0 213.277 0.707 10 0 BCAERO COC(=O)[C@@H]1C[NH2+]C[C@@H]1[C@@H]1CCCOC1 ZINC000229209775 632530891 /nfs/dbraw/zinc/53/08/91/632530891.db2.gz HPQGOLIUAWXMME-OPRDCNLKSA-N 1 0 213.277 0.422 10 0 BCAERO COC[C@H](C)[NH2+]C[C@@H]1CC2(CC2)C(=O)O1 ZINC000308937417 632531127 /nfs/dbraw/zinc/53/11/27/632531127.db2.gz LFBVTHFKXQSZEX-IUCAKERBSA-N 1 0 213.277 0.707 10 0 BCAERO [NH3+][C@@H]1CCC[C@H](C(=O)N2CCn3ccnc3C2)C1 ZINC000062331095 632545477 /nfs/dbraw/zinc/54/54/77/632545477.db2.gz QNGJXLYRFMCTNZ-WDEREUQCSA-N 1 0 248.330 0.743 10 0 BCAERO CCC[C@](C)([NH3+])C(=O)NC[C@H]1CCC[C@H]1O ZINC000251332099 632548009 /nfs/dbraw/zinc/54/80/09/632548009.db2.gz NLLCPCHYXHESDA-FOGDFJRCSA-N 1 0 228.336 0.781 10 0 BCAERO CCOCC(=O)N[C@H]1CCC[NH2+][C@@H]1C ZINC000085726970 632646625 /nfs/dbraw/zinc/64/66/25/632646625.db2.gz KRHKUTRXGHKYHB-BDAKNGLRSA-N 1 0 200.282 0.280 10 0 BCAERO C[NH2+]C[C@H](C)C(=O)N[C@H](C)[C@@H]1CCCO1 ZINC000086065754 632649034 /nfs/dbraw/zinc/64/90/34/632649034.db2.gz HSFDDPCPZQRPSG-AEJSXWLSSA-N 1 0 214.309 0.526 10 0 BCAERO Cc1cnn(CC[NH2+]Cc2cn(C)cn2)c1 ZINC000309725252 632661686 /nfs/dbraw/zinc/66/16/86/632661686.db2.gz CXQPALKHRRLECC-UHFFFAOYSA-N 1 0 219.292 0.715 10 0 BCAERO OCC[NH+]1CCC(NCc2ccoc2)CC1 ZINC000310036920 632696749 /nfs/dbraw/zinc/69/67/49/632696749.db2.gz UQEJMOXXJSAIKL-UHFFFAOYSA-N 1 0 224.304 0.826 10 0 BCAERO Cc1nnc(NCC2([NH3+])CCC2)nc1C ZINC000235972436 632752894 /nfs/dbraw/zinc/75/28/94/632752894.db2.gz DMMIKKIEPVYNIT-UHFFFAOYSA-N 1 0 207.281 0.782 10 0 BCAERO C[C@H](O)C1CCN(C[C@H]2CCC[NH2+]2)CC1 ZINC000235549118 632782333 /nfs/dbraw/zinc/78/23/33/632782333.db2.gz JIFXONOGOSIUSU-CMPLNLGQSA-N 1 0 212.337 0.831 10 0 BCAERO CCOC(=O)C[C@@H]([NH3+])C1CCOCC1 ZINC000052175687 632810560 /nfs/dbraw/zinc/81/05/60/632810560.db2.gz PTZXLMBRCWSZHK-SECBINFHSA-N 1 0 201.266 0.694 10 0 BCAERO Cc1nonc1CN1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000309275820 632876612 /nfs/dbraw/zinc/87/66/12/632876612.db2.gz DSYPASMOSYZHSQ-GUBZILKMSA-N 1 0 222.292 0.547 10 0 BCAERO CC(C)C[C@@H]([NH3+])C(=O)NC[C@@H]1CCC[C@H]1O ZINC000163553746 633058674 /nfs/dbraw/zinc/05/86/74/633058674.db2.gz GGWCSRVZTAMMKT-HBNTYKKESA-N 1 0 228.336 0.637 10 0 BCAERO COC(=O)c1cc(C[NH2+][C@H](C)[C@H](C)O)c[nH]1 ZINC000309451743 633085289 /nfs/dbraw/zinc/08/52/89/633085289.db2.gz LHSFCANFQXEULX-SFYZADRCSA-N 1 0 226.276 0.660 10 0 BCAERO [NH3+]C[C@@H]1C[C@H](F)CN1C[C@@H]1CCOC1 ZINC000306285044 635963440 /nfs/dbraw/zinc/96/34/40/635963440.db2.gz JKLMFCMNEFWDDP-GUBZILKMSA-N 1 0 202.273 0.394 10 0 BCAERO COC[C@@H](C)C(=O)N[C@@](C)(C[NH3+])C(C)C ZINC000237158118 636010184 /nfs/dbraw/zinc/01/01/84/636010184.db2.gz FTKXMBLQMTYQSN-KOLCDFICSA-N 1 0 216.325 0.759 10 0 BCAERO C[C@@H]1C[C@@H](O)C[N@H+](CC[S@@](C)=O)C1 ZINC000307124389 635983281 /nfs/dbraw/zinc/98/32/81/635983281.db2.gz RDKUDFRYBQWLNK-JRKPZEMJSA-N 1 0 205.323 0.068 10 0 BCAERO C[NH2+][C@H]1CCN(c2nc(C)cc(OC)n2)C1 ZINC000166466239 636129922 /nfs/dbraw/zinc/12/99/22/636129922.db2.gz BYCNCDBXONPAEC-VIFPVBQESA-N 1 0 222.292 0.592 10 0 BCAERO C[C@@H]1[C@@H](N(C)C)CC[N@@H+]1[C@@H]1CCC[C@H]1O ZINC000328386174 633760100 /nfs/dbraw/zinc/76/01/00/633760100.db2.gz MGBJCEOGKDYFSX-WRWGMCAJSA-N 1 0 212.337 0.924 10 0 BCAERO C[C@H]1COCCN1C(=O)[C@H]([NH3+])CC1CC1 ZINC000308854404 633823421 /nfs/dbraw/zinc/82/34/21/633823421.db2.gz NRLXOCWSETWJDK-WCBMZHEXSA-N 1 0 212.293 0.361 10 0 BCAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)c1ccc[nH]c1=O ZINC000309334134 633898112 /nfs/dbraw/zinc/89/81/12/633898112.db2.gz TVZVRQNXUHQYRJ-VXNVDRBHSA-N 1 0 221.260 0.349 10 0 BCAERO CC(C)(C)OC[C@H](O)C[NH2+][C@H](CO)C1CC1 ZINC000309375176 633903053 /nfs/dbraw/zinc/90/30/53/633903053.db2.gz RCFBLRNKGGUMFE-GHMZBOCLSA-N 1 0 231.336 0.523 10 0 BCAERO C[C@@H]([NH2+]Cc1cnc2cnccn12)[C@H](C)O ZINC000309943001 633967441 /nfs/dbraw/zinc/96/74/41/633967441.db2.gz CITCOKQIGFHOBL-BDAKNGLRSA-N 1 0 220.276 0.588 10 0 BCAERO CCN(CC)C(=O)C[C@H](C)[NH2+][C@H](C)[C@@H](C)O ZINC000309958284 633982425 /nfs/dbraw/zinc/98/24/25/633982425.db2.gz JRVJREYEPDGNAU-HBNTYKKESA-N 1 0 230.352 0.992 10 0 BCAERO C[C@@H]1CN(C[C@H](O)C[NH+]2CCCC2)C[C@@H](C)O1 ZINC000309983475 634028395 /nfs/dbraw/zinc/02/83/95/634028395.db2.gz LPFRQAMJZYXHKG-JHJVBQTASA-N 1 0 242.363 0.552 10 0 BCAERO C[C@@H]1CN(C[C@@H](O)C[NH+]2CCCC2)C[C@@H](C)O1 ZINC000309983476 634028923 /nfs/dbraw/zinc/02/89/23/634028923.db2.gz LPFRQAMJZYXHKG-UPJWGTAASA-N 1 0 242.363 0.552 10 0 BCAERO CC(C)[C@@H]([NH3+])C(=O)N[C@@H](C)[C@@H]1CCCO1 ZINC000035734965 634078262 /nfs/dbraw/zinc/07/82/62/634078262.db2.gz NMHFVUMHHKEWPM-LPEHRKFASA-N 1 0 214.309 0.653 10 0 BCAERO C[C@@H](NC(=O)CCC[NH3+])[C@@H]1CCCO1 ZINC000035734977 634078934 /nfs/dbraw/zinc/07/89/34/634078934.db2.gz AORALWPGACOBKX-BDAKNGLRSA-N 1 0 200.282 0.409 10 0 BCAERO CC(C)OC[C@H](O)CN1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000310375211 634135196 /nfs/dbraw/zinc/13/51/96/634135196.db2.gz ZLUFMNGAYBAYOT-UPJWGTAASA-N 1 0 242.363 0.456 10 0 BCAERO CCS(=O)(=O)c1ccc(N(C)CC[NH3+])cc1 ZINC000053663598 634293056 /nfs/dbraw/zinc/29/30/56/634293056.db2.gz CKMJTDGJTUCXEB-UHFFFAOYSA-N 1 0 242.344 0.875 10 0 BCAERO C[C@@H](C[NH2+]C[C@H]1CCC=CO1)N1CCOCC1 ZINC000194192967 634307949 /nfs/dbraw/zinc/30/79/49/634307949.db2.gz BCRNNKBCBAJSCL-QWHCGFSZSA-N 1 0 240.347 0.989 10 0 BCAERO C[C@@H](C[NH2+]C[C@@H]1CCC=CO1)N1CCOCC1 ZINC000194192933 634309261 /nfs/dbraw/zinc/30/92/61/634309261.db2.gz BCRNNKBCBAJSCL-STQMWFEESA-N 1 0 240.347 0.989 10 0 BCAERO C[NH2+][C@H]1CCN(c2cc(N(C)C)ncn2)C1 ZINC000258600977 635171271 /nfs/dbraw/zinc/17/12/71/635171271.db2.gz BCZRDWFESNDNGR-VIFPVBQESA-N 1 0 221.308 0.341 10 0 BCAERO O=C1NCCC[C@H]1[NH2+][C@H]1CCCc2n[nH]cc21 ZINC000336519781 635171279 /nfs/dbraw/zinc/17/12/79/635171279.db2.gz QBFBSHPXFXKKIQ-GXSJLCMTSA-N 1 0 234.303 0.655 10 0 BCAERO CN(CC1CCOCC1)C(=O)C1CC([NH3+])C1 ZINC000258767113 635197576 /nfs/dbraw/zinc/19/75/76/635197576.db2.gz RSXKTFHBIPFEED-UHFFFAOYSA-N 1 0 226.320 0.609 10 0 BCAERO C[NH2+][C@H](C)C(=O)N(C)Cc1c(C)noc1C ZINC000054075357 635345625 /nfs/dbraw/zinc/34/56/25/635345625.db2.gz VBAGZJQBRZAGIH-MRVPVSSYSA-N 1 0 225.292 0.858 10 0 BCAERO C1C[NH2+][C@@H](c2nc([C@H]3CN4CCN3CC4)no2)C1 ZINC000094506034 635364202 /nfs/dbraw/zinc/36/42/02/635364202.db2.gz AJTXXRWVQZGBJU-NXEZZACHSA-N 1 0 249.318 0.166 10 0 BCAERO CC[C@H]([NH2+][C@@H]1CS(=O)(=O)C[C@H]1O)C(C)C ZINC000251358131 635547977 /nfs/dbraw/zinc/54/79/77/635547977.db2.gz WJKQNJXEEACHBY-IVZWLZJFSA-N 1 0 235.349 0.169 10 0 BCAERO CCN(C[C@@H](O)COC(C)C)[C@H]1CC[NH2+]C1 ZINC000249951296 635694798 /nfs/dbraw/zinc/69/47/98/635694798.db2.gz KIUVOZAYNZTOPS-NWDGAFQWSA-N 1 0 230.352 0.456 10 0 BCAERO CCOC(=O)[C@@H](C)NC(=O)C[C@H]1CCC[NH2+]C1 ZINC000054308946 636357711 /nfs/dbraw/zinc/35/77/11/636357711.db2.gz UNWWRMUHKASNQM-NXEZZACHSA-N 1 0 242.319 0.444 10 0 BCAERO CC(C)(CO)[NH2+]CC(=O)NCc1ccccc1 ZINC000035102010 636742145 /nfs/dbraw/zinc/74/21/45/636742145.db2.gz HDPYSZYDAPXFCR-UHFFFAOYSA-N 1 0 236.315 0.663 10 0 BCAERO CCn1ncnc1[C@@H](C)N1CC[NH2+]CC1 ZINC000054498741 636742714 /nfs/dbraw/zinc/74/27/14/636742714.db2.gz NDEQIHJDDSBCMF-SECBINFHSA-N 1 0 209.297 0.264 10 0 BCAERO CC[C@](C)(C[NH2+]CCn1cncn1)OC ZINC000322614946 636875710 /nfs/dbraw/zinc/87/57/10/636875710.db2.gz LYCXJKRNVSVPNX-SNVBAGLBSA-N 1 0 212.297 0.683 10 0 BCAERO COc1cc(N2CCC[C@H](C[NH3+])C2)ncn1 ZINC000085481198 636877291 /nfs/dbraw/zinc/87/72/91/636877291.db2.gz MASHXNXFAZFOBB-SECBINFHSA-N 1 0 222.292 0.660 10 0 BCAERO CC(C)[C@H](C)NC(=O)C[NH2+]C[C@H]1CCCO1 ZINC000042221825 637085385 /nfs/dbraw/zinc/08/53/85/637085385.db2.gz ARMFHOXDAUAALV-WDEREUQCSA-N 1 0 228.336 0.916 10 0 BCAERO C[C@H](O)[C@H](C)[NH2+]C1CCN(C(=O)N(C)C)CC1 ZINC000348334819 639051358 /nfs/dbraw/zinc/05/13/58/639051358.db2.gz PYPZPWYKNOSXKM-UWVGGRQHSA-N 1 0 243.351 0.491 10 0 BCAERO CSCC[C@@H]([NH3+])C(=O)N[C@H](C)[C@H]1CCCO1 ZINC000163584295 639213133 /nfs/dbraw/zinc/21/31/33/639213133.db2.gz SNCFIPINCWVTDM-OPRDCNLKSA-N 1 0 246.376 0.751 10 0 BCAERO Cn1nc(C2CC2)nc1C[C@@H]1CCC[NH2+]1 ZINC000054698406 640302679 /nfs/dbraw/zinc/30/26/79/640302679.db2.gz CFBGHEWJDGYIMJ-VIFPVBQESA-N 1 0 206.293 0.987 10 0 BCAERO CCCc1nc([C@@H]2C[C@@H](OC)C[NH2+]2)n(C)n1 ZINC000054697526 640303016 /nfs/dbraw/zinc/30/30/16/640303016.db2.gz HSHIWUGYCRBHCP-BDAKNGLRSA-N 1 0 224.308 0.817 10 0 BCAERO CCc1nc([C@H]2C[C@@H](OC)C[NH2+]2)n(C)n1 ZINC000054697111 640305380 /nfs/dbraw/zinc/30/53/80/640305380.db2.gz LCMVKKGEBAQORG-HTQZYQBOSA-N 1 0 210.281 0.427 10 0 BCAERO CC(C)Cc1nc([C@H]2C[NH2+]CCO2)n(C)n1 ZINC000054699063 640321696 /nfs/dbraw/zinc/32/16/96/640321696.db2.gz SQHGZBFUSNEWHU-SECBINFHSA-N 1 0 224.308 0.675 10 0 BCAERO O[C@@H]1CCC[C@H]1[N@@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000156536504 640463810 /nfs/dbraw/zinc/46/38/10/640463810.db2.gz QMMNTBMPWUNTCS-MTVMDMGHSA-N 1 0 211.305 0.603 10 0 BCAERO CCn1ccc(C(=O)N[C@@H]2C[NH+]3CCC2CC3)n1 ZINC000222540703 640491146 /nfs/dbraw/zinc/49/11/46/640491146.db2.gz RTMYVULPBRVCHU-GFCCVEGCSA-N 1 0 248.330 0.727 10 0 BCAERO Cc1ccnn1CC(=O)N[C@H]1C[NH+]2CCC1CC2 ZINC000222551171 640493962 /nfs/dbraw/zinc/49/39/62/640493962.db2.gz NXDNWKKZAIYGNA-LBPRGKRZSA-N 1 0 248.330 0.402 10 0 BCAERO C[NH2+][C@@](C)(CCCn1ccnc1C)C(N)=O ZINC000045432578 640556430 /nfs/dbraw/zinc/55/64/30/640556430.db2.gz JLQVMKBZGWINNU-NSHDSACASA-N 1 0 224.308 0.435 10 0 BCAERO C[NH2+][C@](C)(Cn1ccnc1C(C)C)C(N)=O ZINC000045430603 640557833 /nfs/dbraw/zinc/55/78/33/640557833.db2.gz UTUPGQWEXIWGAH-LLVKDONJSA-N 1 0 224.308 0.470 10 0 BCAERO Cc1nccn1C[C@](C)([NH2+]C(C)C)C(N)=O ZINC000045433023 640558004 /nfs/dbraw/zinc/55/80/04/640558004.db2.gz FORDLHTVCRNNAQ-NSHDSACASA-N 1 0 224.308 0.434 10 0 BCAERO C[C@]([NH3+])(CCCCn1cc(Cl)cn1)C(N)=O ZINC000045436579 640559107 /nfs/dbraw/zinc/55/91/07/640559107.db2.gz RJSCXEWQLLJYTM-JTQLQIEISA-N 1 0 244.726 0.910 10 0 BCAERO CCC[NH2+][C@](C)(Cn1cc(Cl)cn1)C(N)=O ZINC000045436927 640559188 /nfs/dbraw/zinc/55/91/88/640559188.db2.gz MKRBNRSKYMVLTL-SNVBAGLBSA-N 1 0 244.726 0.780 10 0 BCAERO C[NH2+][C@@](C)(CCCn1cc(Cl)cn1)C(N)=O ZINC000045436633 640559890 /nfs/dbraw/zinc/55/98/90/640559890.db2.gz HMYCJRLOZCMEHN-JTQLQIEISA-N 1 0 244.726 0.780 10 0 BCAERO CC1(C)CC[C@H](Cn2cc(C[NH3+])nn2)OC1 ZINC000713612395 711491234 /nfs/dbraw/zinc/49/12/34/711491234.db2.gz LAKDWNXYFOMICW-SNVBAGLBSA-N 1 0 224.308 0.942 10 0 BCAERO CC(C)([NH3+])CC(=O)NC[C@@H](O)C(F)(F)F ZINC000226320736 640748366 /nfs/dbraw/zinc/74/83/66/640748366.db2.gz IDQFQKXMOHKLCJ-RXMQYKEDSA-N 1 0 228.214 0.153 10 0 BCAERO CC(C)C[C@H](O)CNC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000226368500 640752548 /nfs/dbraw/zinc/75/25/48/640752548.db2.gz ZQXGKVLOKACCHP-AXFHLTTASA-N 1 0 228.336 0.637 10 0 BCAERO CC(C)C[C@@H](O)CNC(=O)[C@@H]1CC[NH2+]C1 ZINC000226368962 640754456 /nfs/dbraw/zinc/75/44/56/640754456.db2.gz OLPUUOKIDZCJFZ-NXEZZACHSA-N 1 0 214.309 0.119 10 0 BCAERO C[C@H]1OCC[C@H]1NC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000226449908 640763835 /nfs/dbraw/zinc/76/38/35/640763835.db2.gz HLUDHTQXYLKRKF-GWOFURMSSA-N 1 0 226.320 0.798 10 0 BCAERO CC[C@@H](C)[C@H]([NH3+])C(=O)NCc1csc(=O)[nH]1 ZINC000226684617 640788747 /nfs/dbraw/zinc/78/87/47/640788747.db2.gz RCVINRKQYZCAHT-SVRRBLITSA-N 1 0 243.332 0.426 10 0 BCAERO CC[NH2+]CC(=O)N1CCS[C@@H](C)C1 ZINC000158094840 640806055 /nfs/dbraw/zinc/80/60/55/640806055.db2.gz HNWMETQBQCXBFT-QMMMGPOBSA-N 1 0 202.323 0.560 10 0 BCAERO CN1CCN(c2cncc(Cl)n2)[C@@H](C[NH3+])C1 ZINC000227031569 640809591 /nfs/dbraw/zinc/80/95/91/640809591.db2.gz KQUXULRRTTYCTP-QMMMGPOBSA-N 1 0 241.726 0.209 10 0 BCAERO COC[C@H](O)C[N@@H+]1CCC[C@H](C(C)=O)C1 ZINC000227171368 640816972 /nfs/dbraw/zinc/81/69/72/640816972.db2.gz ALDAVMJMNKBMLC-WDEREUQCSA-N 1 0 215.293 0.295 10 0 BCAERO Cc1ccsc1CNC(=O)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000087308923 640870953 /nfs/dbraw/zinc/87/09/53/640870953.db2.gz HHNMRWSOETZZHM-BDAKNGLRSA-N 1 0 240.328 0.396 10 0 BCAERO [NH3+][C@H](CC(=O)N[C@H]1CCC[C@@H](O)C1)C1CC1 ZINC000228530349 640879059 /nfs/dbraw/zinc/87/90/59/640879059.db2.gz KKEJVQAMVXDHCT-HBNTYKKESA-N 1 0 226.320 0.534 10 0 BCAERO C[C@H]([NH3+])[C@H](C)C(=O)N[C@@H]1CCO[C@@H]1C ZINC000228622069 640887330 /nfs/dbraw/zinc/88/73/30/640887330.db2.gz BBEPDWOXGZMMRG-RBXMUDONSA-N 1 0 200.282 0.263 10 0 BCAERO CCN(C)C(=O)C[N@@H+]1C[C@H](C)[C@@H](C(=O)OC)C1 ZINC000228699625 640890368 /nfs/dbraw/zinc/89/03/68/640890368.db2.gz JBFPJMNSKRUFBM-UWVGGRQHSA-N 1 0 242.319 0.206 10 0 BCAERO CCn1cncc1[C@@H]1C[NH2+]C[C@@H]1C(=O)OC ZINC000229206598 640933041 /nfs/dbraw/zinc/93/30/41/640933041.db2.gz DKTXVAMLOMJJND-BDAKNGLRSA-N 1 0 223.276 0.379 10 0 BCAERO Cc1nc(N2C[C@@H](C)[C@@H]([NH+](C)C)C2)cc(=O)[nH]1 ZINC000229198221 640933060 /nfs/dbraw/zinc/93/30/60/640933060.db2.gz LBWHACUAAUVBSB-SCZZXKLOSA-N 1 0 236.319 0.877 10 0 BCAERO CCOC(=O)[C@@H]1C[NH2+]C[C@@H]1[C@@H]1CCCOC1 ZINC000229219946 640934114 /nfs/dbraw/zinc/93/41/14/640934114.db2.gz NICQZQRQTJFHGD-GMTAPVOTSA-N 1 0 227.304 0.812 10 0 BCAERO CCOC(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000229215700 640934321 /nfs/dbraw/zinc/93/43/21/640934321.db2.gz MVORICMWVWFIJG-ZJUUUORDSA-N 1 0 223.276 0.286 10 0 BCAERO CCOC(=O)[C@@H]1C[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000229215678 640934419 /nfs/dbraw/zinc/93/44/19/640934419.db2.gz MVORICMWVWFIJG-NXEZZACHSA-N 1 0 223.276 0.286 10 0 BCAERO O=C(C[C@@H]1CCCO1)NC[C@H]1CC[NH2+]C1 ZINC000087654786 640957279 /nfs/dbraw/zinc/95/72/79/640957279.db2.gz JJOALSAHIMRAFD-UWVGGRQHSA-N 1 0 212.293 0.281 10 0 BCAERO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)[C@@H]1CCOC1 ZINC000061883835 641002747 /nfs/dbraw/zinc/00/27/47/641002747.db2.gz ZUHXPOLQFMUNPX-BBBLOLIVSA-N 1 0 212.293 0.267 10 0 BCAERO CCc1csc(N2CCO[C@H](C[NH3+])C2)n1 ZINC000061894213 641005075 /nfs/dbraw/zinc/00/50/75/641005075.db2.gz TULMDAVANVHCLV-SECBINFHSA-N 1 0 227.333 0.869 10 0 BCAERO C[C@@H](O)C1CCN(C(=O)C[C@H]([NH3+])C2CC2)CC1 ZINC000230062544 641010408 /nfs/dbraw/zinc/01/04/08/641010408.db2.gz ZYOQCWWEKXRVTJ-SKDRFNHKSA-N 1 0 240.347 0.733 10 0 BCAERO COc1ncccc1NC(=O)[C@@H]1CC[NH2+]C1 ZINC000062113833 641021783 /nfs/dbraw/zinc/02/17/83/641021783.db2.gz WBGPJKJJEKPRAS-MRVPVSSYSA-N 1 0 221.260 0.638 10 0 BCAERO C(c1noc([C@@H]2CC[NH2+]C2)n1)[C@@H]1CCCO1 ZINC000062119543 641022828 /nfs/dbraw/zinc/02/28/28/641022828.db2.gz AUJFZHVITXFQTD-BDAKNGLRSA-N 1 0 223.276 0.868 10 0 BCAERO COC[C@@H](C)[NH2+]C[C@@H]1COC(C)(C)O1 ZINC000230210781 641038563 /nfs/dbraw/zinc/03/85/63/641038563.db2.gz VWLKLRQGVCWAER-RKDXNWHRSA-N 1 0 203.282 0.762 10 0 BCAERO CC(C)[NH2+][C@@H](CCn1cccn1)C(N)=O ZINC000062535648 641057895 /nfs/dbraw/zinc/05/78/95/641057895.db2.gz AJZCVOYHFVOGHY-VIFPVBQESA-N 1 0 210.281 0.125 10 0 BCAERO C[NH2+]C[C@H]1CCCCN1CCC(=O)OC ZINC000063169182 641143095 /nfs/dbraw/zinc/14/30/95/641143095.db2.gz NIDVBDVWRMVMSJ-SNVBAGLBSA-N 1 0 214.309 0.623 10 0 BCAERO CS(=O)(=O)CC[NH2+][C@H]1CCCC[C@H]1CO ZINC000231311150 641153948 /nfs/dbraw/zinc/15/39/48/641153948.db2.gz BBAZYBVSHKBPLR-UWVGGRQHSA-N 1 0 235.349 0.172 10 0 BCAERO Nc1cnc(C[N@@H+]2CC[C@@H](CCO)C2)cn1 ZINC000231303180 641160260 /nfs/dbraw/zinc/16/02/60/641160260.db2.gz KTITYHGBWZQAFM-VIFPVBQESA-N 1 0 222.292 0.263 10 0 BCAERO CCS(=O)(=O)CCN(C)[C@@H]1CCC[NH2+]CC1 ZINC000231669792 641192672 /nfs/dbraw/zinc/19/26/72/641192672.db2.gz QNUKWAJHQGCPBE-LLVKDONJSA-N 1 0 248.392 0.495 10 0 BCAERO COC[C@@H]([NH3+])C(=O)NC[C@]1(C)CCCS1 ZINC000088005105 641223018 /nfs/dbraw/zinc/22/30/18/641223018.db2.gz DTIZVMIHEXKWNI-SCZZXKLOSA-N 1 0 232.349 0.362 10 0 BCAERO COC[C@@H]([NH3+])C(=O)Nc1ccc(F)cc1F ZINC000088002392 641223814 /nfs/dbraw/zinc/22/38/14/641223814.db2.gz COPRSZBLRVUQKO-MRVPVSSYSA-N 1 0 230.214 0.877 10 0 BCAERO C[NH2+][C@H](C)C(=O)NC[C@H](O)c1ccsc1 ZINC000231985042 641228092 /nfs/dbraw/zinc/22/80/92/641228092.db2.gz PBMKDMADPQJDRV-APPZFPTMSA-N 1 0 228.317 0.506 10 0 BCAERO CCC[C@H]([NH3+])C(=O)NC[C@H]1CCCC[C@H]1O ZINC000232016266 641230353 /nfs/dbraw/zinc/23/03/53/641230353.db2.gz YAENJPOMWNGTFT-OUAUKWLOSA-N 1 0 228.336 0.781 10 0 BCAERO CO[C@H](C[NH3+])Cc1nc([C@@H](OC)C2CC2)no1 ZINC000232132688 641245621 /nfs/dbraw/zinc/24/56/21/641245621.db2.gz ADINYVAPHQNJDR-WPRPVWTQSA-N 1 0 241.291 0.683 10 0 BCAERO O=C(NC[C@@H]1CCC[C@H]1O)[C@H]1CCC[NH2+]C1 ZINC000088033516 641258225 /nfs/dbraw/zinc/25/82/25/641258225.db2.gz UINJUUSYXCBGQT-GARJFASQSA-N 1 0 226.320 0.263 10 0 BCAERO CCOC(=O)N1CCC2(CC1)OC[C@@H]1C[C@@]12[NH3+] ZINC000675074386 641325549 /nfs/dbraw/zinc/32/55/49/641325549.db2.gz VKKXILCOJWGIDO-JOYOIKCWSA-N 1 0 240.303 0.725 10 0 BCAERO Cc1cc(N[C@@H]2CCC[C@H]2C[NH3+])n2ncnc2n1 ZINC000089092148 641427040 /nfs/dbraw/zinc/42/70/40/641427040.db2.gz KMHXWTYNGHWBKZ-VHSXEESVSA-N 1 0 246.318 0.972 10 0 BCAERO C[C@H](NC(=O)C(C)(C)C[NH3+])[C@@H]1CCCO1 ZINC000044751671 641607592 /nfs/dbraw/zinc/60/75/92/641607592.db2.gz RPTQUXGXHDRTAE-IUCAKERBSA-N 1 0 214.309 0.655 10 0 BCAERO Cc1cnn(CCCC[C@](C)([NH3+])C(N)=O)c1 ZINC000045436054 641612308 /nfs/dbraw/zinc/61/23/08/641612308.db2.gz CGWVCHXWFVXQEY-NSHDSACASA-N 1 0 224.308 0.565 10 0 BCAERO Cc1cc2c(N(C)C[C@H](C)[NH3+])nccn2n1 ZINC000157027026 641612794 /nfs/dbraw/zinc/61/27/94/641612794.db2.gz FSONQSMYWKTQEW-QMMMGPOBSA-N 1 0 219.292 0.821 10 0 BCAERO COCCOCCC(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000157998153 641625273 /nfs/dbraw/zinc/62/52/73/641625273.db2.gz VBTMKWUIRCFVCC-WDEREUQCSA-N 1 0 244.335 0.283 10 0 BCAERO CO[C@@H](C)CC(=O)N1CCC[C@H]([NH3+])C1 ZINC000158581201 641642431 /nfs/dbraw/zinc/64/24/31/641642431.db2.gz NTZWTWVUHATLRX-IUCAKERBSA-N 1 0 200.282 0.361 10 0 BCAERO [NH3+]CCC(=O)NC[C@@H](O)c1ccc(F)cc1 ZINC000153562766 641820068 /nfs/dbraw/zinc/82/00/68/641820068.db2.gz IPRDDMKRLIPVKL-SNVBAGLBSA-N 1 0 226.251 0.324 10 0 BCAERO CC(C)(C)[C@H](O)C[NH2+]Cc1cnccn1 ZINC000324454429 641874791 /nfs/dbraw/zinc/87/47/91/641874791.db2.gz WOVNQYDXSJOBNU-SNVBAGLBSA-N 1 0 209.293 0.973 10 0 BCAERO CC(C)(C)[C@@H](O)CNC[C@@H]1CCC[NH2+]1 ZINC000324457751 641874981 /nfs/dbraw/zinc/87/49/81/641874981.db2.gz XHRRYCRDLXKJMH-UWVGGRQHSA-N 1 0 200.326 0.735 10 0 BCAERO C[C@H]1CN(C(=O)C(F)(F)F)C[C@H]1[NH+](C)C ZINC000089710307 642007369 /nfs/dbraw/zinc/00/73/69/642007369.db2.gz AVECGLLHUZIEER-NKWVEPMBSA-N 1 0 224.226 0.957 10 0 BCAERO CC(C)OC(=O)CNC(=O)[C@H]1CCC[NH2+]C1 ZINC000154560632 642140266 /nfs/dbraw/zinc/14/02/66/642140266.db2.gz ZQGGGQKBCNLPFI-VIFPVBQESA-N 1 0 228.292 0.054 10 0 BCAERO C[C@H](NC(=O)C[C@@H]1C[NH2+]CCO1)[C@@H]1CCCO1 ZINC000091299418 642334146 /nfs/dbraw/zinc/33/41/46/642334146.db2.gz UOOVSPYACBJVNR-AXFHLTTASA-N 1 0 242.319 0.049 10 0 BCAERO Cc1nnc2c(N(C)C[C@@H](C)[NH3+])nccn12 ZINC000070617476 642437075 /nfs/dbraw/zinc/43/70/75/642437075.db2.gz VKFIKVHVOFFMHE-SSDOTTSWSA-N 1 0 220.280 0.216 10 0 BCAERO Cn1ccsc1=NC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000255778660 642446995 /nfs/dbraw/zinc/44/69/95/642446995.db2.gz SZHBMSZDUWFNPO-SFYZADRCSA-N 1 0 225.317 0.641 10 0 BCAERO C[C@@H](C[NH3+])N(C)c1cncc(Cl)n1 ZINC000307637071 642449059 /nfs/dbraw/zinc/44/90/59/642449059.db2.gz VTEBGOGQKHRLBS-LURJTMIESA-N 1 0 200.673 0.913 10 0 BCAERO Cc1nc(C(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)no1 ZINC000071382586 642455400 /nfs/dbraw/zinc/45/54/00/642455400.db2.gz ZRERVFSQYWLQLK-JVHMLUBASA-N 1 0 236.275 0.391 10 0 BCAERO CCc1nc2n(n1)C[C@@H]([NH2+]C[C@@H](C)O)CC2 ZINC000390652200 642501319 /nfs/dbraw/zinc/50/13/19/642501319.db2.gz PPVFCIZSONUCHO-BDAKNGLRSA-N 1 0 224.308 0.126 10 0 BCAERO CCCCS(=O)(=O)NC[C@@H](C)[NH2+]C ZINC000233000557 642647022 /nfs/dbraw/zinc/64/70/22/642647022.db2.gz PRPOPEIZXLNZMU-MRVPVSSYSA-N 1 0 208.327 0.314 10 0 BCAERO CCOC(=O)[C@H](C)N1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000233682300 642685688 /nfs/dbraw/zinc/68/56/88/642685688.db2.gz XDFDCRYIDNKZDC-VGMNWLOBSA-N 1 0 200.282 0.217 10 0 BCAERO CCC[C@](C)([NH3+])C(=O)N[C@@H]1CCO[C@H]1C ZINC000251325286 642879780 /nfs/dbraw/zinc/87/97/80/642879780.db2.gz MMVKXXQKTQVHGO-NGZCFLSTSA-N 1 0 214.309 0.798 10 0 BCAERO C[NH2+][C@H]1CCCN(C[C@H](O)COC(C)C)C1 ZINC000069660967 642893285 /nfs/dbraw/zinc/89/32/85/642893285.db2.gz JPFLFFDEZLKNCR-RYUDHWBXSA-N 1 0 230.352 0.456 10 0 BCAERO C[NH2+]C[C@H]1CCCCN1C[C@H](O)COC(C)C ZINC000070100136 642968642 /nfs/dbraw/zinc/96/86/42/642968642.db2.gz AFQCDJYKHBOUOK-OLZOCXBDSA-N 1 0 244.379 0.846 10 0 BCAERO C[NH2+][C@@](C)(CCCn1nccc1C)C(N)=O ZINC000070686761 643059504 /nfs/dbraw/zinc/05/95/04/643059504.db2.gz KZUUYENWMMCTQL-NSHDSACASA-N 1 0 224.308 0.435 10 0 BCAERO CC[NH2+][C@](C)(CCn1ccc(C)n1)C(N)=O ZINC000070686553 643059645 /nfs/dbraw/zinc/05/96/45/643059645.db2.gz XXFDLHIUJXCDBZ-LLVKDONJSA-N 1 0 224.308 0.435 10 0 BCAERO COC(=O)[C@](C)([NH3+])CCCn1ccc(C)n1 ZINC000070686643 643059721 /nfs/dbraw/zinc/05/97/21/643059721.db2.gz JWEPPCSZSIYQOI-LLVKDONJSA-N 1 0 225.292 0.862 10 0 BCAERO COC(=O)[C@@](C)([NH3+])CCCn1ccc(C)n1 ZINC000070686639 643059990 /nfs/dbraw/zinc/05/99/90/643059990.db2.gz JWEPPCSZSIYQOI-NSHDSACASA-N 1 0 225.292 0.862 10 0 BCAERO Cc1ccnn1CC[C@H]([NH2+]C(C)C)C(N)=O ZINC000070686836 643060994 /nfs/dbraw/zinc/06/09/94/643060994.db2.gz XKJJVEPOZNLCEU-JTQLQIEISA-N 1 0 224.308 0.434 10 0 BCAERO O[C@@H](CN1CC[NH2+]CC1)c1ccc(F)c(F)c1 ZINC000022043876 643089636 /nfs/dbraw/zinc/08/96/36/643089636.db2.gz VRISFEGQDQVGFC-LBPRGKRZSA-N 1 0 242.269 0.903 10 0 BCAERO C[C@H]([NH3+])[C@H]1CN(C[C@H]2CCCO2)CCO1 ZINC000252681907 643090945 /nfs/dbraw/zinc/09/09/45/643090945.db2.gz BFNUYCAFNWLBHM-HBNTYKKESA-N 1 0 214.309 0.213 10 0 BCAERO CCC[C@@](C)([NH3+])C(=O)N[C@@H]1CCCOC1 ZINC000071023567 643095198 /nfs/dbraw/zinc/09/51/98/643095198.db2.gz ZQYNJLLSSZLQRF-MWLCHTKSSA-N 1 0 214.309 0.799 10 0 BCAERO C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)[C@@H]1CCCO1 ZINC000035236902 643105260 /nfs/dbraw/zinc/10/52/60/643105260.db2.gz HSDGQMIVYIXKJI-GUBZILKMSA-N 1 0 212.293 0.422 10 0 BCAERO CCN(c1ncnc2nc[nH]c21)[C@H]1CC[NH2+]C1 ZINC000071314317 643124211 /nfs/dbraw/zinc/12/42/11/643124211.db2.gz NGLODZGOVVEPMG-QMMMGPOBSA-N 1 0 232.291 0.541 10 0 BCAERO C[C@H](C[C@@H]1COCCN1)[NH2+][C@H](C)[C@H]1CCCO1 ZINC000252954914 643149110 /nfs/dbraw/zinc/14/91/10/643149110.db2.gz IDYGZLLCOBWVJW-FDYHWXHSSA-N 1 0 242.363 0.911 10 0 BCAERO C[C@@H](O)C1CCN(C(=O)[C@H]([NH3+])CC2CC2)CC1 ZINC000306101467 643297039 /nfs/dbraw/zinc/29/70/39/643297039.db2.gz PPEAZTMPFFFJFL-BXKDBHETSA-N 1 0 240.347 0.733 10 0 BCAERO CCCN(C)S(=O)(=O)C[C@H]([NH3+])C1CC1 ZINC000757149373 643335288 /nfs/dbraw/zinc/33/52/88/643335288.db2.gz BVJCFFOICRNCLA-VIFPVBQESA-N 1 0 220.338 0.395 10 0 BCAERO CCCc1nccc(N2CC[C@H]2C[NH3+])n1 ZINC000757152009 643343637 /nfs/dbraw/zinc/34/36/37/643343637.db2.gz RBEUNGDEQBUDFO-VIFPVBQESA-N 1 0 206.293 0.967 10 0 BCAERO CC[C@@H](C)[C@@H]([NH3+])CS(=O)(=O)N(C)CC ZINC000757154482 643345785 /nfs/dbraw/zinc/34/57/85/643345785.db2.gz ZWPQUVJBCPYABC-BDAKNGLRSA-N 1 0 222.354 0.641 10 0 BCAERO C[C@H]([NH3+])CN(C)c1ccccc1S(C)(=O)=O ZINC000082592616 643351097 /nfs/dbraw/zinc/35/10/97/643351097.db2.gz FCRIGCDXISBEIZ-VIFPVBQESA-N 1 0 242.344 0.874 10 0 BCAERO C[C@@H]([NH3+])CN(C)c1ncnc2c1cnn2C ZINC000082592651 643351880 /nfs/dbraw/zinc/35/18/80/643351880.db2.gz MHUCGEFWPKLWKE-SSDOTTSWSA-N 1 0 220.280 0.147 10 0 BCAERO COC(=O)[C@@H](CO)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000757192705 643365969 /nfs/dbraw/zinc/36/59/69/643365969.db2.gz PYBMKWZTVDKAHK-UPBARMNASA-N 1 0 213.277 0.299 10 0 BCAERO C[C@@H]1CCNc2nc(N3CC[NH2+]CC3)nn21 ZINC000235334941 643370940 /nfs/dbraw/zinc/37/09/40/643370940.db2.gz SILCKEVVCBZGCR-MRVPVSSYSA-N 1 0 222.296 0.064 10 0 BCAERO N[C@@H]1C[NH2+]CC[C@H]1c1cccc(C=O)c1 ZINC000757211185 643371415 /nfs/dbraw/zinc/37/14/15/643371415.db2.gz GSKPYXQNVWLJOE-NWDGAFQWSA-N 1 0 204.273 0.903 10 0 BCAERO C[C@@H]1C[C@H]([C@H]2CCC[NH2+][C@@H]2C(=O)[O-])CC[NH2+]1 ZINC000757238184 643374139 /nfs/dbraw/zinc/37/41/39/643374139.db2.gz RRVVCTHGZRAXGU-DBIOUOCHSA-N 1 0 226.320 0.827 10 0 BCAERO C[C@@H]1COCCN1C(=O)CC(C)(C)[NH3+] ZINC000082771846 643379050 /nfs/dbraw/zinc/37/90/50/643379050.db2.gz JQFFFKRLXMUGII-MRVPVSSYSA-N 1 0 200.282 0.361 10 0 BCAERO C[C@@](O)(COC1C[NH2+]C1)c1ccccc1 ZINC000235379438 643383376 /nfs/dbraw/zinc/38/33/76/643383376.db2.gz YKZWONHIXUVDNI-GFCCVEGCSA-N 1 0 207.273 0.883 10 0 BCAERO C[C@H]([NH3+])CN(C)c1ccnc(N(C)C)n1 ZINC000082924645 643388050 /nfs/dbraw/zinc/38/80/50/643388050.db2.gz WTMNALBMTQQWHX-QMMMGPOBSA-N 1 0 209.297 0.326 10 0 BCAERO C[C@H](O)CCNC(=O)CCCCCC[NH3+] ZINC000082996027 643397304 /nfs/dbraw/zinc/39/73/04/643397304.db2.gz DILVDRSGZOBPJN-JTQLQIEISA-N 1 0 216.325 0.783 10 0 BCAERO C[C@@H](O)CCNC(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000082995787 643397427 /nfs/dbraw/zinc/39/74/27/643397427.db2.gz FDMPYOJEAFPXER-BBBLOLIVSA-N 1 0 214.309 0.391 10 0 BCAERO COC(=O)CCN1C[C@@H](C)[NH2+]C[C@H]1C ZINC000083118741 643416255 /nfs/dbraw/zinc/41/62/55/643416255.db2.gz POCNRFKLQKWXCD-RKDXNWHRSA-N 1 0 200.282 0.232 10 0 BCAERO CCOCCONC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000186008119 643423273 /nfs/dbraw/zinc/42/32/73/643423273.db2.gz OLZAWMIKJUBOAV-SNVBAGLBSA-N 1 0 245.323 0.300 10 0 BCAERO CCn1ccnc(N(C)C[C@H](C)[NH3+])c1=O ZINC000082592594 643514712 /nfs/dbraw/zinc/51/47/12/643514712.db2.gz TVTSNARAFPLKLK-QMMMGPOBSA-N 1 0 210.281 0.047 10 0 BCAERO Cc1nn([C@H](C)C[C@](C)([NH3+])C(N)=O)cc1Cl ZINC000082800600 643524988 /nfs/dbraw/zinc/52/49/88/643524988.db2.gz BSNJHSNMJJPUMT-LDWIPMOCSA-N 1 0 244.726 0.999 10 0 BCAERO Cc1cc(C)n([C@@H](C)C[C@@](C)([NH3+])C(N)=O)n1 ZINC000082800285 643525148 /nfs/dbraw/zinc/52/51/48/643525148.db2.gz GIKNDOSDSCXYDZ-GXSJLCMTSA-N 1 0 224.308 0.654 10 0 BCAERO CC[NH2+][C@](C)(C[C@@H](C)n1cncn1)C(N)=O ZINC000082800472 643526088 /nfs/dbraw/zinc/52/60/88/643526088.db2.gz SSQSFRYYSMJDCY-PSASIEDQSA-N 1 0 225.296 0.083 10 0 BCAERO CCc1nsc(N(C)C[C@H](C)[NH3+])n1 ZINC000083675766 643541851 /nfs/dbraw/zinc/54/18/51/643541851.db2.gz LOHWKWOSJFETSZ-LURJTMIESA-N 1 0 200.311 0.884 10 0 BCAERO C[C@H](C[NH3+])c1noc(C[C@H]2CCCO2)n1 ZINC000083525243 643585449 /nfs/dbraw/zinc/58/54/49/643585449.db2.gz VYVDLLGICVAGNX-HTQZYQBOSA-N 1 0 211.265 0.853 10 0 BCAERO CCOC(=O)[C@]1([NH3+])CC[C@H](n2ccnc2)C1 ZINC000086626610 643635900 /nfs/dbraw/zinc/63/59/00/643635900.db2.gz QWSPGTLLRSYGDJ-ONGXEEELSA-N 1 0 223.276 0.869 10 0 BCAERO CC[NH2+][C@]1(C(N)=O)CC[C@H](n2ccnc2)C1 ZINC000086626562 643636767 /nfs/dbraw/zinc/63/67/67/643636767.db2.gz YRAYZJDGHIFMQB-GXSJLCMTSA-N 1 0 222.292 0.442 10 0 BCAERO [NH3+][C@H]1CCC[C@H](C(=O)NCc2c[nH]cn2)C1 ZINC000084081091 643644623 /nfs/dbraw/zinc/64/46/23/643644623.db2.gz TXJVGWOACQCDME-IUCAKERBSA-N 1 0 222.292 0.543 10 0 BCAERO [NH3+][C@H]1CCN(C(=O)Cc2cccc(O)c2)C1 ZINC000050228181 643652059 /nfs/dbraw/zinc/65/20/59/643652059.db2.gz DLJDCDWBGVFISQ-JTQLQIEISA-N 1 0 220.272 0.494 10 0 BCAERO C[C@@H](NC(=O)C[C@@H]1CC[NH2+]C1)[C@H]1CCCO1 ZINC000084381989 643660014 /nfs/dbraw/zinc/66/00/14/643660014.db2.gz CXVTZWMBWAAXEV-OUAUKWLOSA-N 1 0 226.320 0.670 10 0 BCAERO Cc1cc(C(=O)NCC2CC([NH3+])C2)n(C)n1 ZINC000085165961 643688597 /nfs/dbraw/zinc/68/85/97/643688597.db2.gz ALQUBXZNGZAQNX-UHFFFAOYSA-N 1 0 222.292 0.196 10 0 BCAERO C[C@@H]1COC[C@@H](C)N1C(=O)CC1([NH3+])CCC1 ZINC000237461760 643699966 /nfs/dbraw/zinc/69/99/66/643699966.db2.gz SVBHIZYKDDLUIR-NXEZZACHSA-N 1 0 226.320 0.894 10 0 BCAERO CCOc1cc(N(C)C[C@H](C)[NH3+])ncn1 ZINC000085483185 643755252 /nfs/dbraw/zinc/75/52/52/643755252.db2.gz UQFKOHAKXWQWFM-QMMMGPOBSA-N 1 0 210.281 0.659 10 0 BCAERO C[C@@H](NC(=O)C[C@H]1C[NH2+]CCO1)C1CC1 ZINC000085619289 643765358 /nfs/dbraw/zinc/76/53/58/643765358.db2.gz AATDRCTVITXXHO-SCZZXKLOSA-N 1 0 212.293 0.280 10 0 BCAERO CC(C)[C@@H](C)NC(=O)C[C@H]1C[NH2+]CCO1 ZINC000085619016 643765603 /nfs/dbraw/zinc/76/56/03/643765603.db2.gz UANDCAIGPYJCQX-ZJUUUORDSA-N 1 0 214.309 0.526 10 0 BCAERO O=C(C[NH2+]CC1CC1)NC[C@@H]1CCCC[C@@H]1O ZINC000085986898 643876132 /nfs/dbraw/zinc/87/61/32/643876132.db2.gz PENRVFQLYFAVFF-RYUDHWBXSA-N 1 0 240.347 0.653 10 0 BCAERO O=C(C[C@@H]1CCC[NH2+]1)NC[C@H]1CCCC[C@H]1O ZINC000085988751 643881500 /nfs/dbraw/zinc/88/15/00/643881500.db2.gz OEIUJWBVIARYRQ-GRYCIOLGSA-N 1 0 240.347 0.796 10 0 BCAERO CCC[C@H](C(=O)N[C@H]1CCOC1=O)[NH+](C)C ZINC000094126148 644059958 /nfs/dbraw/zinc/05/99/58/644059958.db2.gz BHHOGGAXJOCNTB-DTWKUNHWSA-N 1 0 228.292 0.148 10 0 BCAERO COC(=O)[C@]1([NH3+])CCC[C@@H](n2cccn2)C1 ZINC000086604671 644155790 /nfs/dbraw/zinc/15/57/90/644155790.db2.gz GDQMGFVBNJLYAM-KOLCDFICSA-N 1 0 223.276 0.869 10 0 BCAERO NC(=O)[C@]1([NH3+])CCC[C@@H](n2cc(Cl)cn2)C1 ZINC000086604711 644156626 /nfs/dbraw/zinc/15/66/26/644156626.db2.gz VGFIFXJEQPDHSS-SCZZXKLOSA-N 1 0 242.710 0.834 10 0 BCAERO [NH3+]C[C@H]1CCCCN1c1nccn2cnnc12 ZINC000079471104 644183869 /nfs/dbraw/zinc/18/38/69/644183869.db2.gz VQMRLHFYOOZZRS-SECBINFHSA-N 1 0 232.291 0.442 10 0 BCAERO C[NH+](C)[C@@H]1CCN(C(=O)C[C@@H]2CCCOC2)C1 ZINC000193137773 644216380 /nfs/dbraw/zinc/21/63/80/644216380.db2.gz XIYVCYFVZCUKHJ-NWDGAFQWSA-N 1 0 240.347 0.966 10 0 BCAERO CCCC(=O)NCC(=O)N[C@H]1CCC[NH2+][C@@H]1C ZINC000193488700 644247180 /nfs/dbraw/zinc/24/71/80/644247180.db2.gz YYAXTYJBOJHGCF-ZJUUUORDSA-N 1 0 241.335 0.159 10 0 BCAERO Cc1nc([C@@H](C)NC(=O)CC[NH3+])cs1 ZINC000083884078 644412185 /nfs/dbraw/zinc/41/21/85/644412185.db2.gz DQMAKWAKAUQZTQ-ZCFIWIBFSA-N 1 0 213.306 0.978 10 0 BCAERO O=C(C[C@@H]1CCC[NH2+]1)NC[C@@H]1CCCC[C@@H]1O ZINC000085988741 644453533 /nfs/dbraw/zinc/45/35/33/644453533.db2.gz OEIUJWBVIARYRQ-SRVKXCTJSA-N 1 0 240.347 0.796 10 0 BCAERO C[NH2+]C[C@H](C)C(=O)N[C@@H]1CCCOC1 ZINC000086069084 644457139 /nfs/dbraw/zinc/45/71/39/644457139.db2.gz BSNXMAUATKKLHB-DTWKUNHWSA-N 1 0 200.282 0.137 10 0 BCAERO CN(C)[C@@H](CN[C@H]1CC[NH2+]C1)c1ccco1 ZINC000086725097 644469719 /nfs/dbraw/zinc/46/97/19/644469719.db2.gz VJDYEUTXNJSGBE-QWRGUYRKSA-N 1 0 223.320 0.834 10 0 BCAERO CCOCCNC(=O)[C@@H]1CCC[NH2+][C@H]1C ZINC000087122424 644478041 /nfs/dbraw/zinc/47/80/41/644478041.db2.gz SRICAESWAUKFLV-VHSXEESVSA-N 1 0 214.309 0.527 10 0 BCAERO CC(C)[C@@H]([NH3+])Cc1nc(-c2cnn(C)c2)no1 ZINC000087427207 644495300 /nfs/dbraw/zinc/49/53/00/644495300.db2.gz OFNFALQPSFCETP-VIFPVBQESA-N 1 0 235.291 0.996 10 0 BCAERO CCCCNC(=O)N[C@@H]1CC[NH2+]C[C@H]1F ZINC000685946178 644518052 /nfs/dbraw/zinc/51/80/52/644518052.db2.gz LMOXISUNMGDGEF-RKDXNWHRSA-N 1 0 217.288 0.786 10 0 BCAERO CCCCS(=O)(=O)NC[C@@]12CC[C@@H]1CC[NH2+]2 ZINC000685946144 644518165 /nfs/dbraw/zinc/51/81/65/644518165.db2.gz DELSVPFMKCOGDV-MNOVXSKESA-N 1 0 246.376 0.848 10 0 BCAERO CC[N@@H+]1CCC[C@H]1CN(C)[C@H]1CCOC1=O ZINC000245477140 644526703 /nfs/dbraw/zinc/52/67/03/644526703.db2.gz UEKDPORPLYVGHL-QWRGUYRKSA-N 1 0 226.320 0.718 10 0 BCAERO [NH3+][C@@H]1CC[C@H](C(=O)NC[C@H](O)c2ccccc2)C1 ZINC000246046048 644560170 /nfs/dbraw/zinc/56/01/70/644560170.db2.gz BVUUARHXCGWOBW-XQQFMLRXSA-N 1 0 248.326 0.964 10 0 BCAERO CC(=O)CCN1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000247574003 644645161 /nfs/dbraw/zinc/64/51/61/644645161.db2.gz HOUDPRREZFARDT-JQWIXIFHSA-N 1 0 228.336 0.352 10 0 BCAERO C[C@@H](C(=O)N1C[C@@H](C)O[C@H](C)C1)[C@H](C)[NH3+] ZINC000248503664 644683714 /nfs/dbraw/zinc/68/37/14/644683714.db2.gz VCQJXLIMCCLMDC-KYXWUPHJSA-N 1 0 214.309 0.606 10 0 BCAERO CCC(=O)CCN1CC[N@H+](C[C@H](C)O)[C@H](C)C1 ZINC000249126765 644714165 /nfs/dbraw/zinc/71/41/65/644714165.db2.gz XLMYLCJNEWMUGZ-NEPJUHHUSA-N 1 0 242.363 0.743 10 0 BCAERO C(CN1CC[N@@H+]2CCC[C@H]2C1)C1OCCCO1 ZINC000094462512 644718430 /nfs/dbraw/zinc/71/84/30/644718430.db2.gz ADRWJFDWBRVJNT-LBPRGKRZSA-N 1 0 240.347 0.920 10 0 BCAERO COC(=O)CCC[N@H+]1C[C@H](C(=O)OC)[C@H](C)C1 ZINC000094996631 644734473 /nfs/dbraw/zinc/73/44/73/644734473.db2.gz RXHOYKPHYZWDTM-ZJUUUORDSA-N 1 0 243.303 0.681 10 0 BCAERO CCN(C)C(=O)C[N@@H+]1C[C@H](C)[C@H](C(=O)OC)C1 ZINC000094997037 644737017 /nfs/dbraw/zinc/73/70/17/644737017.db2.gz JBFPJMNSKRUFBM-VHSXEESVSA-N 1 0 242.319 0.206 10 0 BCAERO COC(=O)[C@H]1C[N@H+](Cc2ccno2)C[C@@H]1C ZINC000094996634 644737481 /nfs/dbraw/zinc/73/74/81/644737481.db2.gz JTWHFWDSQKNGTD-WPRPVWTQSA-N 1 0 224.260 0.916 10 0 BCAERO COC(=O)[C@H]1CN(Cc2nncn2C)C[C@H]1C ZINC000094997051 644737698 /nfs/dbraw/zinc/73/76/98/644737698.db2.gz VQMBRXMTXFEZNE-BDAKNGLRSA-N 1 0 238.291 0.056 10 0 BCAERO COC(=O)[C@H]1C[N@H+](CC(=O)NC(C)C)C[C@@H]1C ZINC000094996867 644737774 /nfs/dbraw/zinc/73/77/74/644737774.db2.gz FPHXFZNFOHJIAQ-UWVGGRQHSA-N 1 0 242.319 0.252 10 0 BCAERO COC[C@H](C)[N@H+]1C[C@H](C(=O)OC)[C@H](C)C1 ZINC000094997063 644737828 /nfs/dbraw/zinc/73/78/28/644737828.db2.gz ACHOOYXPOUMPGX-UTLUCORTSA-N 1 0 215.293 0.762 10 0 BCAERO NC(=O)c1ccc(N[C@@H]2CCCC[C@H]2C[NH3+])nn1 ZINC000095013529 644738340 /nfs/dbraw/zinc/73/83/40/644738340.db2.gz QYGVHJIDQIFJOU-DTWKUNHWSA-N 1 0 249.318 0.505 10 0 BCAERO COC(=O)[C@H]1CN(CC[NH+]2CCCC2)C[C@H]1C ZINC000095019954 644738720 /nfs/dbraw/zinc/73/87/20/644738720.db2.gz UBKNVXDEESSEMX-NEPJUHHUSA-N 1 0 240.347 0.823 10 0 BCAERO COC(=O)[C@H]1C[N@H+](Cc2cnccn2)C[C@H]1C ZINC000095019828 644739565 /nfs/dbraw/zinc/73/95/65/644739565.db2.gz MYAWFSHRKUXCNJ-KOLCDFICSA-N 1 0 235.287 0.718 10 0 BCAERO CC[C@@H]1CN(c2ccnc(C(N)=O)c2)CC[C@H]1[NH3+] ZINC000251541778 644808825 /nfs/dbraw/zinc/80/88/25/644808825.db2.gz ATRUQSGXTHXFIE-MWLCHTKSSA-N 1 0 248.330 0.744 10 0 BCAERO CC[C@H](C)[C@H](C)[NH2+][C@@H]1CS(=O)(=O)C[C@H]1O ZINC000252017243 644833750 /nfs/dbraw/zinc/83/37/50/644833750.db2.gz WUBXSVZWNHXGEP-AXTSPUMRSA-N 1 0 235.349 0.169 10 0 BCAERO C[C@@H](C1CC1)n1nnc2c1nc[nH+]c2NN ZINC000757564207 644840386 /nfs/dbraw/zinc/84/03/86/644840386.db2.gz CCCSKIOMVXQGCV-YFKPBYRVSA-N 1 0 219.252 0.478 10 0 BCAERO [NH3+][C@H](CC1CC1)C(=O)NC[C@H]1CCC[C@@H]1O ZINC000304328108 644893449 /nfs/dbraw/zinc/89/34/49/644893449.db2.gz HCUSJCRHPYNVEN-MXWKQRLJSA-N 1 0 226.320 0.391 10 0 BCAERO CC(C)(O)C[N@@H+]1CCC2(C1)OCCO2 ZINC000304370733 644898621 /nfs/dbraw/zinc/89/86/21/644898621.db2.gz ZUNIAXPOOXUVOX-UHFFFAOYSA-N 1 0 201.266 0.206 10 0 BCAERO CC1(C)CC[C@H]([NH2+][C@@H]2CS(=O)(=O)C[C@H]2O)C1 ZINC000252787496 644906364 /nfs/dbraw/zinc/90/63/64/644906364.db2.gz AJILEGMWLMDXHG-IVZWLZJFSA-N 1 0 247.360 0.313 10 0 BCAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1c1ncc(C=O)cn1 ZINC000252809012 644910615 /nfs/dbraw/zinc/91/06/15/644910615.db2.gz FARJKQUYFVKUNB-PWSUYJOCSA-N 1 0 246.314 0.962 10 0 BCAERO O=Cc1cnc(N2CC[N@@H+]3CCC[C@H]3C2)nc1 ZINC000252808982 644910649 /nfs/dbraw/zinc/91/06/49/644910649.db2.gz DZJZBPJCLARUQH-NSHDSACASA-N 1 0 232.287 0.574 10 0 BCAERO CO[C@@H](C[NH3+])Cc1nc(CC2CCC2)no1 ZINC000304589240 644920022 /nfs/dbraw/zinc/92/00/22/644920022.db2.gz KSOHDVVRWPXCEW-SECBINFHSA-N 1 0 225.292 0.928 10 0 BCAERO COC(=O)[C@@H]1CCCCN1C(=O)[C@@H](C)[C@H](C)[NH3+] ZINC000252869404 644920637 /nfs/dbraw/zinc/92/06/37/644920637.db2.gz RWQFVDBDQOOWBP-GUBZILKMSA-N 1 0 242.319 0.524 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)N[C@H]2C[C@@H]([NH3+])C2(C)C)O1 ZINC000253090570 644936674 /nfs/dbraw/zinc/93/66/74/644936674.db2.gz FDBLWEREZRFQJE-KYXWUPHJSA-N 1 0 226.320 0.796 10 0 BCAERO Cc1ccc(NC(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)cc1 ZINC000209449827 645786978 /nfs/dbraw/zinc/78/69/78/645786978.db2.gz LCJFABUNUBTUKP-RYUDHWBXSA-N 1 0 249.314 0.791 10 0 BCAERO CC[C@](C)(O)C[N@@H+]1CC[C@H](O)[C@@H](F)C1 ZINC000725622366 711667238 /nfs/dbraw/zinc/66/72/38/711667238.db2.gz OIJLVOXKJYMUHA-GUBZILKMSA-N 1 0 205.273 0.552 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N[C@H](C)[C@@H]1CCCO1 ZINC000036873284 711726983 /nfs/dbraw/zinc/72/69/83/711726983.db2.gz QRSMSGLITCVPHR-UTLUCORTSA-N 1 0 214.309 0.798 10 0 BCAERO CN(C)c1cc(N2CCC[C@H]2C[NH3+])ncn1 ZINC000258738381 711741121 /nfs/dbraw/zinc/74/11/21/711741121.db2.gz NONGAIOTVBAYEF-VIFPVBQESA-N 1 0 221.308 0.470 10 0 BCAERO C[Si](C)(C)C[N@@H+]1CCO[C@H](CO)C1 ZINC000307172019 711773503 /nfs/dbraw/zinc/77/35/03/711773503.db2.gz HLGFPQXZLZLXMQ-VIFPVBQESA-N 1 0 203.358 0.557 10 0 BCAERO C1CC1c1noc([C@H]2C[NH2+]CCOC2)n1 ZINC000700375578 711990293 /nfs/dbraw/zinc/99/02/93/711990293.db2.gz BVTYXSNEVMNVPL-QMMMGPOBSA-N 1 0 209.249 0.650 10 0 BCAERO Cc1cc(=O)[nH]c(C[NH2+][C@H]2COC[C@@H]2C)n1 ZINC000700479455 711994468 /nfs/dbraw/zinc/99/44/68/711994468.db2.gz FQBKEXAZPKMBIS-CBAPKCEASA-N 1 0 223.276 0.615 10 0 BCAERO [NH3+]CCOCc1nc([C@H]2CC23CC3)no1 ZINC000700450557 711995269 /nfs/dbraw/zinc/99/52/69/711995269.db2.gz BXWCAQWQXNSBLQ-SSDOTTSWSA-N 1 0 209.249 0.812 10 0 BCAERO COCCN(CCF)C(=O)C[C@H]1CCC[NH2+]C1 ZINC000700406972 711991889 /nfs/dbraw/zinc/99/18/89/711991889.db2.gz FKDGJMYMXIWREF-LLVKDONJSA-N 1 0 246.326 0.821 10 0 BCAERO CCC(F)(F)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000701196923 712018017 /nfs/dbraw/zinc/01/80/17/712018017.db2.gz BJZDLYVPSSRNFV-ZETCQYMHSA-N 1 0 206.236 0.981 10 0 BCAERO C[NH2+][C@@H](C)CNC(=O)COc1cc(C)on1 ZINC000701387371 712021919 /nfs/dbraw/zinc/02/19/19/712021919.db2.gz RMTTZDWMEPHPLW-ZETCQYMHSA-N 1 0 227.264 0.086 10 0 BCAERO C[C@@H](NCc1ncccn1)[C@@H]1CCC[NH2+]C1 ZINC000702324650 712047152 /nfs/dbraw/zinc/04/71/52/712047152.db2.gz RINVDXFLFSBVTC-GHMZBOCLSA-N 1 0 220.320 0.954 10 0 BCAERO C[NH2+]CCOCCN(C)c1cncc(Cl)n1 ZINC000706634963 712152075 /nfs/dbraw/zinc/15/20/75/712152075.db2.gz LYEKPTNLXXAVFM-UHFFFAOYSA-N 1 0 244.726 0.802 10 0 BCAERO COC(=O)c1cn(C[C@@H]2CCC[C@@H]2[NH3+])nn1 ZINC000708212874 712183846 /nfs/dbraw/zinc/18/38/46/712183846.db2.gz YJCXFNYAQQLTOU-YUMQZZPRSA-N 1 0 224.264 0.192 10 0 BCAERO CSC1CC([NH2+]C[C@H](O)Cn2cccn2)C1 ZINC000708269339 712184951 /nfs/dbraw/zinc/18/49/51/712184951.db2.gz KRNKGJRTVUVRSE-YVNMAJEFSA-N 1 0 241.360 0.728 10 0 BCAERO C[C@@H]1C[N@H+](CCO[C@@H]2CC2(F)F)C[C@H]1CO ZINC000708697120 712197642 /nfs/dbraw/zinc/19/76/42/712197642.db2.gz DAEBNFUZMIFBKB-KXUCPTDWSA-N 1 0 235.274 0.971 10 0 BCAERO Cc1nonc1CN1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000708830073 712200176 /nfs/dbraw/zinc/20/01/76/712200176.db2.gz JTOQIAQOXUPFRK-CBAPKCEASA-N 1 0 210.281 0.405 10 0 BCAERO C[C@@H]1CN(C(=O)CC[NH2+]C(C)(C)C)C[C@H]1CO ZINC000709155121 712210591 /nfs/dbraw/zinc/21/05/91/712210591.db2.gz CJXWXCWTYRJPOJ-MNOVXSKESA-N 1 0 242.363 0.851 10 0 BCAERO C[C@@H]1C[N@H+](C[C@H](O)C[NH+]2CCCC2)C[C@H]1CO ZINC000708560368 712212918 /nfs/dbraw/zinc/21/29/18/712212918.db2.gz ZCQLPZFKSUEZHZ-FRRDWIJNSA-N 1 0 242.363 0.003 10 0 BCAERO C[C@H]([NH2+]CC1CC(O)C1)c1cn(C)cn1 ZINC000709992931 712237758 /nfs/dbraw/zinc/23/77/58/712237758.db2.gz QJVQOOJQKWYHMX-IDKOKCKLSA-N 1 0 209.293 0.842 10 0 BCAERO C[C@@H](C[N@@H+]1CCC[C@](O)(C(N)=O)C1)C(C)(C)C ZINC000710747910 712255554 /nfs/dbraw/zinc/25/55/54/712255554.db2.gz SRZYFKSIUONQRD-GXFFZTMASA-N 1 0 242.363 0.981 10 0 BCAERO COC1CC([NH2+][C@@H]2CCC2(OC)OC)C1 ZINC000710954520 712267410 /nfs/dbraw/zinc/26/74/10/712267410.db2.gz AGKCCABKEGYGPP-UDNWOFFPSA-N 1 0 215.293 0.905 10 0 BCAERO C[C@@H]1COC[C@@H](C)N1C(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000711378330 712296353 /nfs/dbraw/zinc/29/63/53/712296353.db2.gz UYEYYSFBLLFCKT-MXWKQRLJSA-N 1 0 240.347 0.868 10 0 BCAERO CC1(C)C[NH2+]C[C@@H]1C(=O)NC[C@H]1CCC[C@H]1O ZINC000711346003 712295019 /nfs/dbraw/zinc/29/50/19/712295019.db2.gz CHBXHRZQCOBABG-GMTAPVOTSA-N 1 0 240.347 0.509 10 0 BCAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]CCOC1CC1 ZINC000711688102 712317246 /nfs/dbraw/zinc/31/72/46/712317246.db2.gz JOVNOGOJNDXFBS-WCBMZHEXSA-N 1 0 212.293 0.422 10 0 BCAERO O=C1NC[C@H](C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)O1 ZINC000378662036 712356588 /nfs/dbraw/zinc/35/65/88/712356588.db2.gz CEUDHXVXQQICJY-AXTSPUMRSA-N 1 0 210.277 0.873 10 0 BCAERO COC[C@H](C)C(=O)N1C[C@@H](F)C[C@H]1C[NH3+] ZINC000378787698 712361447 /nfs/dbraw/zinc/36/14/47/712361447.db2.gz MAERCTSYNCMFMJ-CIUDSAMLSA-N 1 0 218.272 0.167 10 0 BCAERO [NH3+]C[C@@H]1C[C@H](F)CN1C(=O)[C@@H]1CCCS1 ZINC000378791116 712361928 /nfs/dbraw/zinc/36/19/28/712361928.db2.gz NOFVWCGPHKSOLX-CIUDSAMLSA-N 1 0 232.324 0.780 10 0 BCAERO CCCCN(C)C(=O)[C@H]1CO[C@@H](C[NH3+])C1 ZINC000713874083 712473232 /nfs/dbraw/zinc/47/32/32/712473232.db2.gz ROFSGTWIVPZZSW-NXEZZACHSA-N 1 0 214.309 0.609 10 0 BCAERO CC(C)CNC(=O)[C@H]1CO[C@H](C[NH3+])C1 ZINC000713838101 712473371 /nfs/dbraw/zinc/47/33/71/712473371.db2.gz QAVNVUSGMXXDFC-BDAKNGLRSA-N 1 0 200.282 0.122 10 0 BCAERO COCC1CC(NC(=O)[C@@H]2CC[NH2+][C@@H]2C)C1 ZINC000713936048 712474153 /nfs/dbraw/zinc/47/41/53/712474153.db2.gz UBNOTCLLSLZRCG-AGVGLQIMSA-N 1 0 226.320 0.526 10 0 BCAERO COCC1CC([NH2+]Cc2ccn(C)n2)C1 ZINC000713953518 712474507 /nfs/dbraw/zinc/47/45/07/712474507.db2.gz RASFWLKVDUMFAX-UHFFFAOYSA-N 1 0 209.293 0.935 10 0 BCAERO COCC1CC([NH2+][C@H]2CCCNC(=O)C2)C1 ZINC000714009411 712477525 /nfs/dbraw/zinc/47/75/25/712477525.db2.gz PKSXARUXXVGMOH-YVNMAJEFSA-N 1 0 226.320 0.670 10 0 BCAERO COC[C@H](O)C[NH2+]C1CC(COC)C1 ZINC000713959927 712475084 /nfs/dbraw/zinc/47/50/84/712475084.db2.gz DNFJOJLMWLXKKQ-UDNWOFFPSA-N 1 0 203.282 0.008 10 0 BCAERO [NH3+][C@@H](CO)C(=O)NCc1c(F)cccc1Cl ZINC000714537098 712494162 /nfs/dbraw/zinc/49/41/62/712494162.db2.gz YEYVLWOCHXEEBI-VIFPVBQESA-N 1 0 246.669 0.415 10 0 BCAERO C[C@@H]1CN(S(=O)(=O)CCCC2CC2)C[C@@H]1[NH3+] ZINC000715046969 712504576 /nfs/dbraw/zinc/50/45/76/712504576.db2.gz BEWLNJSUINIEHG-KOLCDFICSA-N 1 0 246.376 0.785 10 0 BCAERO C[C@@H]1CN(C(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)C[C@@H](C)O1 ZINC000715072683 712506191 /nfs/dbraw/zinc/50/61/91/712506191.db2.gz CMQMBSWBBXPSSQ-HXFLIBJXSA-N 1 0 248.273 0.462 10 0 BCAERO C[C@@H]([NH3+])CC(=O)N1C[C@@H]2CCCC[N@@H+]2C[C@H]1C ZINC000715104842 712508805 /nfs/dbraw/zinc/50/88/05/712508805.db2.gz RYRGPLUZRAKPGS-UTUOFQBUSA-N 1 0 239.363 0.809 10 0 BCAERO CO[C@@H]1CN(Cc2n[nH]cc2C)[C@@](C)(C[NH3+])C1 ZINC000715447007 712519240 /nfs/dbraw/zinc/51/92/40/712519240.db2.gz PZRGYJWJJVTDQB-CMPLNLGQSA-N 1 0 238.335 0.656 10 0 BCAERO C[C@@H]([NH2+]C[C@H](O)C1CC1)c1cn(C)nn1 ZINC000715837702 712535456 /nfs/dbraw/zinc/53/54/56/712535456.db2.gz OCFHYAXSQLCMCX-XCBNKYQSSA-N 1 0 210.281 0.237 10 0 BCAERO O=C(NCC[C@H]1CCCS1)[C@@H]1CC[NH2+]C1 ZINC000715981997 712550787 /nfs/dbraw/zinc/55/07/87/712550787.db2.gz DLEYOKVSMSPPOJ-NXEZZACHSA-N 1 0 228.361 0.998 10 0 BCAERO Cc1nc(C[NH2+]C2CC(C(N)=O)C2)cs1 ZINC000716747554 712571873 /nfs/dbraw/zinc/57/18/73/712571873.db2.gz YLONOVYLYNUKHU-UHFFFAOYSA-N 1 0 225.317 0.805 10 0 BCAERO C[C@H]([NH2+]C1CC(C(N)=O)C1)c1cccnc1 ZINC000716754081 712572453 /nfs/dbraw/zinc/57/24/53/712572453.db2.gz DXVIKRHYUSSKTE-PUSIOWJLSA-N 1 0 219.288 0.996 10 0 BCAERO C[NH2+][C@H](C)CNC(=O)C[C@@H]1CC(C)(C)CO1 ZINC000717079353 712628921 /nfs/dbraw/zinc/62/89/21/712628921.db2.gz ICUIVWFSMOMHSL-NXEZZACHSA-N 1 0 228.336 0.916 10 0 BCAERO CN(C(=O)COC1CC1)[C@H]1CCC[NH2+]CC1 ZINC000717678424 712663937 /nfs/dbraw/zinc/66/39/37/712663937.db2.gz OGWDAFMZARQANN-JTQLQIEISA-N 1 0 226.320 0.766 10 0 BCAERO C[C@H]1CN(S(=O)(=O)c2ccns2)C[C@H]1[NH3+] ZINC000717735550 712669379 /nfs/dbraw/zinc/66/93/79/712669379.db2.gz LHOOPEPEOSFXHK-NKWVEPMBSA-N 1 0 247.345 0.111 10 0 BCAERO C[C@@H]1CC[C@@H]1[NH2+][C@H]1CCc2ncnn2C1 ZINC000380075057 712685068 /nfs/dbraw/zinc/68/50/68/712685068.db2.gz FDQGXXNVGHPMMO-UTLUCORTSA-N 1 0 206.293 0.981 10 0 BCAERO C[NH2+]CCc1noc([C@H]2C[C@@H](C)CO2)n1 ZINC000718429509 712760907 /nfs/dbraw/zinc/76/09/07/712760907.db2.gz UZLOJIZDBBXPSS-HTQZYQBOSA-N 1 0 211.265 0.929 10 0 BCAERO OC1(C[NH2+]CCc2ccns2)CCOCC1 ZINC000719860986 712824887 /nfs/dbraw/zinc/82/48/87/712824887.db2.gz LHISVTSDFZUFIK-UHFFFAOYSA-N 1 0 242.344 0.817 10 0 BCAERO OC[C@@H]1C[C@@H](O)C[N@@H+]1CCc1ccns1 ZINC000719881676 712826317 /nfs/dbraw/zinc/82/63/17/712826317.db2.gz WLFSENYXNUUZFE-DTWKUNHWSA-N 1 0 228.317 0.113 10 0 BCAERO C[NH2+]C1(C(=O)NCC[C@@H]2CCCO2)CCC1 ZINC000380983374 710595845 /nfs/dbraw/zinc/59/58/45/710595845.db2.gz BJRKMGNRBRDLIK-JTQLQIEISA-N 1 0 226.320 0.814 10 0 BCAERO COc1ccnc(N[C@@H]2C[NH2+]C[C@H]2C)n1 ZINC000721901843 710689518 /nfs/dbraw/zinc/68/95/18/710689518.db2.gz YDSUMAYBXRNTFA-HTQZYQBOSA-N 1 0 208.265 0.505 10 0 BCAERO [NH3+]Cc1cn(CC[C@H](O)c2ccccc2)nn1 ZINC000721326338 710675534 /nfs/dbraw/zinc/67/55/34/710675534.db2.gz NRMVWHRVYBNESH-LBPRGKRZSA-N 1 0 232.287 0.861 10 0 BCAERO CNC(=O)c1ccc(NC[C@@H]2C[NH2+]C[C@H]2C)nn1 ZINC000723798988 710731394 /nfs/dbraw/zinc/73/13/94/710731394.db2.gz CHESCRNJVKNVRO-BDAKNGLRSA-N 1 0 249.318 0.104 10 0 BCAERO COc1cc(NC[C@@H]2C[NH2+]C[C@H]2C)ncn1 ZINC000723820157 710733288 /nfs/dbraw/zinc/73/32/88/710733288.db2.gz AWUFUYNNMXYLQT-BDAKNGLRSA-N 1 0 222.292 0.753 10 0 BCAERO [NH3+]C[C@@H]1CCCN1CCO[C@@H]1CCOC1 ZINC000724913729 710746417 /nfs/dbraw/zinc/74/64/17/710746417.db2.gz IAXLSQDCNFRKAA-WDEREUQCSA-N 1 0 214.309 0.215 10 0 BCAERO OCC[C@@H]1CC[N@H+](CCO[C@@H]2CCOC2)C1 ZINC000724978755 710752573 /nfs/dbraw/zinc/75/25/73/710752573.db2.gz VALSPCXZMDRTRK-NWDGAFQWSA-N 1 0 229.320 0.496 10 0 BCAERO COC[C@@H](C[N@@H+]1CCO[C@H](CO)C1)C(C)C ZINC000721972236 710695609 /nfs/dbraw/zinc/69/56/09/710695609.db2.gz IGSIPPYOPWCEAR-NEPJUHHUSA-N 1 0 231.336 0.598 10 0 BCAERO CO[C@H]1C[C@@H](C[N@@H+]2CCO[C@H](CO)C2)C1 ZINC000722016079 710698044 /nfs/dbraw/zinc/69/80/44/710698044.db2.gz WITKNCBMAOWCON-AXFHLTTASA-N 1 0 215.293 0.105 10 0 BCAERO CN(C[C@H]1CCCO1)C(=O)[C@H]([NH3+])CC1CC1 ZINC000304396410 711452386 /nfs/dbraw/zinc/45/23/86/711452386.db2.gz UZPICGOMCCAFGS-GHMZBOCLSA-N 1 0 226.320 0.751 10 0 BCAERO CN1C[C@H](C[NH2+]C[C@H]2CCC=CO2)CC1=O ZINC000722750594 711469977 /nfs/dbraw/zinc/46/99/77/711469977.db2.gz UUZDWVDXYMBEJP-WDEREUQCSA-N 1 0 224.304 0.747 10 0 BCAERO CN1C[C@H](C[NH2+]C[C@H]2CCCOC2)CC1=O ZINC000722745948 711469983 /nfs/dbraw/zinc/46/99/83/711469983.db2.gz HPNMWSHAYNOGGY-MNOVXSKESA-N 1 0 226.320 0.481 10 0 BCAERO COc1cncc(C[NH2+]C[C@H]2CC(=O)N(C)C2)c1 ZINC000722746000 711470218 /nfs/dbraw/zinc/47/02/18/711470218.db2.gz TYVAHVUEJLQUDR-LLVKDONJSA-N 1 0 249.314 0.658 10 0 BCAERO CN1C[C@@H](C[NH2+]C[C@@H]2CCC=CO2)CC1=O ZINC000722750591 711470224 /nfs/dbraw/zinc/47/02/24/711470224.db2.gz UUZDWVDXYMBEJP-MNOVXSKESA-N 1 0 224.304 0.747 10 0 BCAERO CCn1ccnc(N2C3CCC2(C[NH3+])CC3)c1=O ZINC000722985930 711493535 /nfs/dbraw/zinc/49/35/35/711493535.db2.gz HZBDGHZOJFBRDM-UHFFFAOYSA-N 1 0 248.330 0.723 10 0 BCAERO C[C@@H]1CN(C(=O)c2cccn3nccc23)C[C@@H]1[NH3+] ZINC000723496498 711513262 /nfs/dbraw/zinc/51/32/62/711513262.db2.gz IEHMXPWRGNRVMY-KOLCDFICSA-N 1 0 244.298 0.754 10 0 BCAERO C[C@@H]([NH3+])CCNC(=O)c1cccn2nccc12 ZINC000723491311 711513311 /nfs/dbraw/zinc/51/33/11/711513311.db2.gz JMQYGFTWCRUGKS-SECBINFHSA-N 1 0 232.287 0.801 10 0 BCAERO Cc1cc(C)nc(C[N@@H+]2C[C@@H](O)C[C@@H]2CO)c1 ZINC000723842532 711538229 /nfs/dbraw/zinc/53/82/29/711538229.db2.gz GJGIBRXDYSGMPN-OLZOCXBDSA-N 1 0 236.315 0.626 10 0 BCAERO C[C@@H]1CN(c2ncnc3nc[nH]c32)C[C@H]1CC[NH3+] ZINC000723916616 711545086 /nfs/dbraw/zinc/54/50/86/711545086.db2.gz YMEMWHGBCKXPQB-RKDXNWHRSA-N 1 0 246.318 0.774 10 0 BCAERO Cc1cn(C)nc1CN1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000723962453 711548281 /nfs/dbraw/zinc/54/82/81/711548281.db2.gz HVVSRFYOVMPUOZ-QJPTWQEYSA-N 1 0 234.347 0.898 10 0 BCAERO NC(=O)C1CC([NH2+][C@@H]2CCSC2)C1 ZINC000716723024 711580190 /nfs/dbraw/zinc/58/01/90/711580190.db2.gz UWKMBYCQNAALDJ-ZUEIMRROSA-N 1 0 200.307 0.345 10 0 BCAERO C[C@@H]1C[C@@H](C[NH2+]CCS(C)(=O)=O)C[C@H](C)O1 ZINC000724452033 711580925 /nfs/dbraw/zinc/58/09/25/711580925.db2.gz DDHMPWCMSDZONK-JGPRNRPPSA-N 1 0 249.376 0.824 10 0 BCAERO C[C@@H]1[C@@H](O)CCC[N@@H+]1CCO[C@@H]1CCOC1 ZINC000724989315 711641344 /nfs/dbraw/zinc/64/13/44/711641344.db2.gz IONYMSLQPQELFH-UTUOFQBUSA-N 1 0 229.320 0.637 10 0 BCAERO C[C@@H]1C[N@H+](CCO[C@H]2CCOC2)C[C@H]1CO ZINC000724995022 711642067 /nfs/dbraw/zinc/64/20/67/711642067.db2.gz NJKBIMNDRGJZLW-WOPDTQHZSA-N 1 0 229.320 0.352 10 0 BCAERO C([C@@H]1CCCO1)N1CCC[C@@]12CC[NH2+]C2 ZINC000257680829 711726495 /nfs/dbraw/zinc/72/64/95/711726495.db2.gz KYTRJBOCNVUZID-RYUDHWBXSA-N 1 0 210.321 0.993 10 0 BCAERO c1ncn(Cc2nc(C[C@@H]3CCC[NH2+]C3)no2)n1 ZINC000225429532 711756582 /nfs/dbraw/zinc/75/65/82/711756582.db2.gz NWTBHBLCVRVKCA-VIFPVBQESA-N 1 0 248.290 0.252 10 0 BCAERO C[C@@H]1OCC[C@H]1NC(=O)[C@@]1(C)CC[NH2+]C1 ZINC000226458499 711831098 /nfs/dbraw/zinc/83/10/98/711831098.db2.gz VKVOAMUPFUTXSZ-NGZCFLSTSA-N 1 0 212.293 0.280 10 0 BCAERO [NH3+][C@@H]1CCC[C@@H]1c1nc(N2CCOCC2)no1 ZINC000228189095 711834030 /nfs/dbraw/zinc/83/40/30/711834030.db2.gz DZXMIELEYBDHMI-DTWKUNHWSA-N 1 0 238.291 0.501 10 0 BCAERO C[NH2+]C[C@H](C)C(=O)NC[C@H]1CCCC[C@H]1O ZINC000252650549 711947072 /nfs/dbraw/zinc/94/70/72/711947072.db2.gz YZDJPZPKHUABHB-HBNTYKKESA-N 1 0 228.336 0.509 10 0 BCAERO C(c1noc([C@H]2C[NH2+]CCOC2)n1)C1CC1 ZINC000700375671 711990403 /nfs/dbraw/zinc/99/04/03/711990403.db2.gz CJEYNULOKUBQHK-VIFPVBQESA-N 1 0 223.276 0.726 10 0 BCAERO O=C(NCCC1CCC1)[C@H]1C[NH2+]CCOC1 ZINC000700532433 711996462 /nfs/dbraw/zinc/99/64/62/711996462.db2.gz OIHPOBDBSZCVKM-NSHDSACASA-N 1 0 226.320 0.529 10 0 BCAERO [NH3+]C1CC(C(=O)N2CCO[C@@H](CCF)C2)C1 ZINC000700579668 711997747 /nfs/dbraw/zinc/99/77/47/711997747.db2.gz VIMQLCUNTGTOSZ-RTBKNWGFSA-N 1 0 230.283 0.311 10 0 BCAERO C[C@@H]([NH3+])CN(C)C(=O)[C@H]1Cc2ccccc2CO1 ZINC000700658198 712001984 /nfs/dbraw/zinc/00/19/84/712001984.db2.gz XQPLBLGADRWLAF-ZWNOBZJWSA-N 1 0 248.326 0.934 10 0 BCAERO COC1(C(=O)NC[C@@H]2CC[NH2+]C2)CCCC1 ZINC000700923791 712010415 /nfs/dbraw/zinc/01/04/15/712010415.db2.gz NUCIVHNMMPQDLQ-SNVBAGLBSA-N 1 0 226.320 0.671 10 0 BCAERO [NH3+]C[C@@H]1CCCN1C(=O)c1cccc(F)n1 ZINC000701079541 712014390 /nfs/dbraw/zinc/01/43/90/712014390.db2.gz POSHWZNPOKNQIB-QMMMGPOBSA-N 1 0 223.251 0.784 10 0 BCAERO C[NH2+][C@@H](C)CNC(=O)CCn1nc(C)cc1C ZINC000701170475 712016854 /nfs/dbraw/zinc/01/68/54/712016854.db2.gz GNCYCIOWSXHAIH-JTQLQIEISA-N 1 0 238.335 0.614 10 0 BCAERO Cc1ccnc(NCC23CC(C2)C[NH2+]3)n1 ZINC000701890419 712031862 /nfs/dbraw/zinc/03/18/62/712031862.db2.gz LUTMPKUHFSFYHW-UHFFFAOYSA-N 1 0 204.277 0.949 10 0 BCAERO OCC[C@@H]1COCC[N@@H+]1C[C@@H]1CCC[C@H](O)C1 ZINC000702190452 712040825 /nfs/dbraw/zinc/04/08/25/712040825.db2.gz HBHGIUKGXFWERT-UPJWGTAASA-N 1 0 243.347 0.621 10 0 BCAERO CC(C)[C@@H](C)NC(=O)[C@@H](N)C[NH+](C)C ZINC000702370071 712048785 /nfs/dbraw/zinc/04/87/85/712048785.db2.gz LHWDERMHFOAYCT-BDAKNGLRSA-N 1 0 201.314 0.036 10 0 BCAERO CCN1C[C@@H](C[N@@H+]2CC[C@@H](O)C[C@H]2C)OC1=O ZINC000705251424 712126656 /nfs/dbraw/zinc/12/66/56/712126656.db2.gz GCTMMWHPWCQTEN-MXWKQRLJSA-N 1 0 242.319 0.672 10 0 BCAERO C[NH2+]CCOCCNc1nccc(C)n1 ZINC000705977446 712139417 /nfs/dbraw/zinc/13/94/17/712139417.db2.gz ZBSOYVAGMFNCPX-UHFFFAOYSA-N 1 0 210.281 0.433 10 0 BCAERO CCON1CCC([NH2+][C@H]2CCOC[C@H]2O)CC1 ZINC000706732878 712153386 /nfs/dbraw/zinc/15/33/86/712153386.db2.gz DGHKKRKQDBFVSQ-NWDGAFQWSA-N 1 0 244.335 0.142 10 0 BCAERO Oc1ccc(C[NH2+][C@H]2CCOC[C@H]2O)cc1F ZINC000706772967 712155171 /nfs/dbraw/zinc/15/51/71/712155171.db2.gz SVMPJNZENCMSBY-CMPLNLGQSA-N 1 0 241.262 0.771 10 0 BCAERO O[C@H]1COCC[C@@H]1[NH2+]Cc1cnn2ccccc12 ZINC000706777842 712155183 /nfs/dbraw/zinc/15/51/83/712155183.db2.gz PZLPDSBPGNATHH-AAEUAGOBSA-N 1 0 247.298 0.574 10 0 BCAERO O[C@@H]1COCC[C@@H]1[NH2+]C[C@H]1CCCOC1 ZINC000706791671 712155882 /nfs/dbraw/zinc/15/58/82/712155882.db2.gz WJZCIMORBWMIFO-OUAUKWLOSA-N 1 0 215.293 0.152 10 0 BCAERO Cc1ccc(C[NH2+][C@H]2CCOC[C@@H]2O)cn1 ZINC000706791716 712156099 /nfs/dbraw/zinc/15/60/99/712156099.db2.gz ZWETZURIVCSGNS-RYUDHWBXSA-N 1 0 222.288 0.629 10 0 BCAERO [NH3+]C1CC(C(=O)N2CC[C@@]3(CCOC3)C2)C1 ZINC000707211823 712166986 /nfs/dbraw/zinc/16/69/86/712166986.db2.gz GOKZEVOINJZESY-RTYFJBAXSA-N 1 0 224.304 0.363 10 0 BCAERO C[C@@H]1C[N@H+](Cc2ccc(N)nn2)C[C@H]1CO ZINC000708067522 712173788 /nfs/dbraw/zinc/17/37/88/712173788.db2.gz XRPQUESEUBHHGZ-BDAKNGLRSA-N 1 0 222.292 0.119 10 0 BCAERO C[C@@H]1C[N@H+](Cc2cccnc2N)C[C@H]1CO ZINC000708139273 712183067 /nfs/dbraw/zinc/18/30/67/712183067.db2.gz CRBHEILJLDHXSM-KOLCDFICSA-N 1 0 221.304 0.724 10 0 BCAERO C[NH2+][C@@H](C)C(=O)N1[C@H](C)COC[C@H]1C ZINC000708387352 712191715 /nfs/dbraw/zinc/19/17/15/712191715.db2.gz JLSBWYIYTVDBOJ-HLTSFMKQSA-N 1 0 200.282 0.230 10 0 BCAERO C[C@@H]1C[N@H+](C[C@@H]2CCCS2(=O)=O)C[C@H]1CO ZINC000708686413 712196799 /nfs/dbraw/zinc/19/67/99/712196799.db2.gz JNPAHTJHOPFPIS-VWYCJHECSA-N 1 0 247.360 0.124 10 0 BCAERO C[C@@H]1CN(Cc2cnns2)C[C@@H]1C[NH3+] ZINC000708825770 712199928 /nfs/dbraw/zinc/19/99/28/712199928.db2.gz NDLDRQDWMUJXDO-SFYZADRCSA-N 1 0 212.322 0.565 10 0 BCAERO C[C@@H]1CN(C(=O)C[C@H]2CCCCO2)C[C@@H]1C[NH3+] ZINC000708856505 712201164 /nfs/dbraw/zinc/20/11/64/712201164.db2.gz UCXVUAZLWJPZMD-GRYCIOLGSA-N 1 0 240.347 0.999 10 0 BCAERO COC1(C(=O)N2C[C@@H](C)[C@@H](C[NH3+])C2)CCCC1 ZINC000708853506 712201287 /nfs/dbraw/zinc/20/12/87/712201287.db2.gz HXGPDKNCPXIMAY-MNOVXSKESA-N 1 0 240.347 0.999 10 0 BCAERO C[C@@H]1CN(C(=O)[C@@H](O)c2ccccc2)C[C@@H]1C[NH3+] ZINC000708865164 712201414 /nfs/dbraw/zinc/20/14/14/712201414.db2.gz GRNJVFARBLNJAG-WXHSDQCUSA-N 1 0 248.326 0.773 10 0 BCAERO Cc1ccnc(N2C[C@H](C)[C@@H](C[NH3+])C2)n1 ZINC000708874469 712202065 /nfs/dbraw/zinc/20/20/65/712202065.db2.gz JHRHAFCPNNPNHX-WPRPVWTQSA-N 1 0 206.293 0.816 10 0 BCAERO CCCS(=O)(=O)CCN1C[C@H](C)[C@H](C[NH3+])C1 ZINC000708893514 712202569 /nfs/dbraw/zinc/20/25/69/712202569.db2.gz KTZSVTJACMBEEV-WDEREUQCSA-N 1 0 248.392 0.338 10 0 BCAERO CC(=O)CC[N@@H+](C)C[C@H]1CN(C)CCO1 ZINC000709486142 712222861 /nfs/dbraw/zinc/22/28/61/712222861.db2.gz DRFLRKDPYJTDDP-NSHDSACASA-N 1 0 214.309 0.228 10 0 BCAERO C[C@H]([NH2+][C@H]1CCC(=O)N[C@@H]1C)c1cn(C)cn1 ZINC000709947379 712234274 /nfs/dbraw/zinc/23/42/74/712234274.db2.gz DGMUEDXQVRGKDM-UTLUCORTSA-N 1 0 236.319 0.738 10 0 BCAERO C[C@@H](O)CCNC(=O)[C@H]1C[NH2+]CC1(C)C ZINC000711236515 712290555 /nfs/dbraw/zinc/29/05/55/712290555.db2.gz HLWVKGQHCFSYJZ-RKDXNWHRSA-N 1 0 214.309 0.119 10 0 BCAERO C[C@@H]1CN(C(=O)[C@H]2C[NH2+]CC2(C)C)C[C@@H](C)O1 ZINC000711347273 712295011 /nfs/dbraw/zinc/29/50/11/712295011.db2.gz NSFNWXYGHSUROY-GMTAPVOTSA-N 1 0 240.347 0.868 10 0 BCAERO CC1(C)C[NH2+]C[C@@H]1C(=O)N[C@@H]1CCC[C@@H](O)C1 ZINC000711347733 712295050 /nfs/dbraw/zinc/29/50/50/712295050.db2.gz YHMGDQCIUIQYMA-GMTAPVOTSA-N 1 0 240.347 0.652 10 0 BCAERO CCCc1noc([C@]2(C)C[NH2+]CCO2)n1 ZINC000711531043 712309715 /nfs/dbraw/zinc/30/97/15/712309715.db2.gz SDOHADNNKSBYMZ-JTQLQIEISA-N 1 0 211.265 0.857 10 0 BCAERO C(CN1CC[C@@H]2OCC[NH2+][C@@H]2C1)OC1CC1 ZINC000711775705 712328905 /nfs/dbraw/zinc/32/89/05/712328905.db2.gz AXYGFHSXVCITPZ-NEPJUHHUSA-N 1 0 226.320 0.228 10 0 BCAERO [NH3+]C[C@@H]1C[C@H](F)CN1CCOCC(F)F ZINC000378792922 712361787 /nfs/dbraw/zinc/36/17/87/712361787.db2.gz ORZRYUYWMHOQQZ-YUMQZZPRSA-N 1 0 226.242 0.639 10 0 BCAERO OC[C@@H]1C[NH+](Cc2ccoc2)C[C@H]1CO ZINC000705379156 712371802 /nfs/dbraw/zinc/37/18/02/712371802.db2.gz GWCJCXGCJRKPRS-QWRGUYRKSA-N 1 0 211.261 0.312 10 0 BCAERO CC(C)OC[C@H](O)CN1CC[NH2+][C@@H](C)[C@@H]1C ZINC000379496069 712385987 /nfs/dbraw/zinc/38/59/87/712385987.db2.gz QPNGUTWVSBBQCJ-SDDRHHMPSA-N 1 0 230.352 0.455 10 0 BCAERO NC(=O)C1CC([NH2+]Cc2cnc3n2CCC3)C1 ZINC000719172501 712388053 /nfs/dbraw/zinc/38/80/53/712388053.db2.gz ZMWCUCYWJJORLN-UHFFFAOYSA-N 1 0 234.303 0.183 10 0 BCAERO OC[C@H]1COCCN1C[C@H]1CCC2(CCC2)O1 ZINC000712493592 712431393 /nfs/dbraw/zinc/43/13/93/712431393.db2.gz CYINRPLPSPTJCB-NWDGAFQWSA-N 1 0 241.331 0.781 10 0 BCAERO CC(C)[C@H]([NH3+])C(C)(C)C(=O)NCC[C@@H](C)O ZINC000713003780 712451158 /nfs/dbraw/zinc/45/11/58/712451158.db2.gz NNKYBIPWLLSFIL-ZJUUUORDSA-N 1 0 230.352 0.883 10 0 BCAERO C[C@@H](NC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2)[C@@H]1CCCO1 ZINC000713238119 712455632 /nfs/dbraw/zinc/45/56/32/712455632.db2.gz AYBOROJTZVQZBJ-IIEKFROSSA-N 1 0 238.331 0.798 10 0 BCAERO [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N[C@H]2CCC[C@H](O)C2)C1 ZINC000713227300 712455667 /nfs/dbraw/zinc/45/56/67/712455667.db2.gz VKPDCZBMCBFFSX-VGDATSSVSA-N 1 0 238.331 0.534 10 0 BCAERO CCn1cc(NC(=O)[C@@H]2CO[C@H](C[NH3+])C2)cn1 ZINC000713801421 712471660 /nfs/dbraw/zinc/47/16/60/712471660.db2.gz GDNSPFCHVGPANT-WPRPVWTQSA-N 1 0 238.291 0.205 10 0 BCAERO Cc1csc(NC(=O)[C@H]2CO[C@H](C[NH3+])C2)n1 ZINC000713765524 712471729 /nfs/dbraw/zinc/47/17/29/712471729.db2.gz CBXMHGHTWDUDLZ-SFYZADRCSA-N 1 0 241.316 0.754 10 0 BCAERO Cc1csc(NC(=O)[C@@H]2CO[C@@H](C[NH3+])C2)n1 ZINC000713765523 712471790 /nfs/dbraw/zinc/47/17/90/712471790.db2.gz CBXMHGHTWDUDLZ-JGVFFNPUSA-N 1 0 241.316 0.754 10 0 BCAERO CCCN(CCC)C(=O)[C@@H]1CO[C@H](C[NH3+])C1 ZINC000713800958 712471821 /nfs/dbraw/zinc/47/18/21/712471821.db2.gz HVFCFWYFDJDIBD-QWRGUYRKSA-N 1 0 228.336 0.999 10 0 BCAERO [NH3+]C[C@H]1C[C@@H](C(=O)N2CCc3ccccc32)CO1 ZINC000713765324 712471872 /nfs/dbraw/zinc/47/18/72/712471872.db2.gz BMIPMZSUXREZIG-VXGBXAGGSA-N 1 0 246.310 0.940 10 0 BCAERO CCn1cc(NC(=O)[C@H]2CO[C@@H](C[NH3+])C2)cn1 ZINC000713801417 712471932 /nfs/dbraw/zinc/47/19/32/712471932.db2.gz GDNSPFCHVGPANT-PSASIEDQSA-N 1 0 238.291 0.205 10 0 BCAERO Cc1cnc(NC(=O)[C@@H]2CO[C@@H](C[NH3+])C2)s1 ZINC000713766556 712471944 /nfs/dbraw/zinc/47/19/44/712471944.db2.gz JAMCLATVCZJYHO-JGVFFNPUSA-N 1 0 241.316 0.754 10 0 BCAERO [NH3+]C[C@@H]1C[C@H](C(=O)N2CCc3ccccc32)CO1 ZINC000713765320 712471965 /nfs/dbraw/zinc/47/19/65/712471965.db2.gz BMIPMZSUXREZIG-RYUDHWBXSA-N 1 0 246.310 0.940 10 0 BCAERO [NH3+]C[C@@H]1C[C@@H](C(=O)NCC[C@H]2CCCO2)CO1 ZINC000713787346 712472288 /nfs/dbraw/zinc/47/22/88/712472288.db2.gz ZNWUVTSLPPQVJW-MXWKQRLJSA-N 1 0 242.319 0.036 10 0 BCAERO CCN(C(=O)[C@H]1CO[C@H](C[NH3+])C1)C(C)C ZINC000713878567 712472310 /nfs/dbraw/zinc/47/23/10/712472310.db2.gz IAKVMUFIPJVNDK-ZJUUUORDSA-N 1 0 214.309 0.607 10 0 BCAERO CSCCCNC(=O)[C@@H]1CO[C@@H](C[NH3+])C1 ZINC000713890364 712472350 /nfs/dbraw/zinc/47/23/50/712472350.db2.gz YBPIZUDBWNTEMO-DTWKUNHWSA-N 1 0 232.349 0.220 10 0 BCAERO CCN(C(=O)[C@H]1CO[C@@H](C[NH3+])C1)C(C)C ZINC000713878564 712472504 /nfs/dbraw/zinc/47/25/04/712472504.db2.gz IAKVMUFIPJVNDK-NXEZZACHSA-N 1 0 214.309 0.607 10 0 BCAERO CC(C)CCCNC(=O)[C@@H]1CO[C@H](C[NH3+])C1 ZINC000713789429 712472550 /nfs/dbraw/zinc/47/25/50/712472550.db2.gz MZJRMPBDJMKKSA-QWRGUYRKSA-N 1 0 228.336 0.903 10 0 BCAERO C[C@@H]1CCCN(C(=O)[C@H]2CO[C@H](C[NH3+])C2)C1 ZINC000713827863 712472892 /nfs/dbraw/zinc/47/28/92/712472892.db2.gz ZAILKBDMGCFLBG-MXWKQRLJSA-N 1 0 226.320 0.609 10 0 BCAERO CC1CCN(C(=O)[C@H]2CO[C@H](C[NH3+])C2)CC1 ZINC000713826246 712472987 /nfs/dbraw/zinc/47/29/87/712472987.db2.gz WIRJVGLTHDMYOE-MNOVXSKESA-N 1 0 226.320 0.609 10 0 BCAERO CC(C)CNC(=O)[C@@H]1CO[C@@H](C[NH3+])C1 ZINC000713838103 712473208 /nfs/dbraw/zinc/47/32/08/712473208.db2.gz QAVNVUSGMXXDFC-DTWKUNHWSA-N 1 0 200.282 0.122 10 0 BCAERO CCCN(CC)C(=O)[C@@H]1CO[C@@H](C[NH3+])C1 ZINC000713871163 712473431 /nfs/dbraw/zinc/47/34/31/712473431.db2.gz KFGNVQQPJKRNHA-VHSXEESVSA-N 1 0 214.309 0.609 10 0 BCAERO CC(C)CCCNC(=O)[C@H]1CO[C@H](C[NH3+])C1 ZINC000713872140 712473436 /nfs/dbraw/zinc/47/34/36/712473436.db2.gz MZJRMPBDJMKKSA-MNOVXSKESA-N 1 0 228.336 0.903 10 0 BCAERO CCCCCNC(=O)[C@H]1CO[C@H](C[NH3+])C1 ZINC000713873315 712473462 /nfs/dbraw/zinc/47/34/62/712473462.db2.gz QEKATNZSNZPJDL-ZJUUUORDSA-N 1 0 214.309 0.657 10 0 BCAERO CCCN(CCC)C(=O)[C@H]1CO[C@@H](C[NH3+])C1 ZINC000713870478 712473467 /nfs/dbraw/zinc/47/34/67/712473467.db2.gz HVFCFWYFDJDIBD-GHMZBOCLSA-N 1 0 228.336 0.999 10 0 BCAERO COCC1CC(NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)C1 ZINC000713934207 712473631 /nfs/dbraw/zinc/47/36/31/712473631.db2.gz DSULTEXSXIBJCI-WYNUPADASA-N 1 0 226.320 0.655 10 0 BCAERO COCC1CC(NC(=O)CC[C@H](C)[NH3+])C1 ZINC000713932002 712473645 /nfs/dbraw/zinc/47/36/45/712473645.db2.gz WQCZCVQEYWKAAY-IDKOKCKLSA-N 1 0 214.309 0.655 10 0 BCAERO COCC1CC(NC(=O)[C@@H]([NH3+])C(C)C)C1 ZINC000713929467 712473751 /nfs/dbraw/zinc/47/37/51/712473751.db2.gz BMGDKGMSYZLFKJ-RTBKNWGFSA-N 1 0 214.309 0.511 10 0 BCAERO COCC1CC(NC(=O)[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC000713934204 712473841 /nfs/dbraw/zinc/47/38/41/712473841.db2.gz DSULTEXSXIBJCI-LIZLNQBYSA-N 1 0 226.320 0.655 10 0 BCAERO COCC1CC(NC(=O)c2ccc(C[NH3+])o2)C1 ZINC000713945840 712474079 /nfs/dbraw/zinc/47/40/79/712474079.db2.gz MULUZESGGZSHKH-UHFFFAOYSA-N 1 0 238.287 0.893 10 0 BCAERO COCC1CC(NC(=O)[C@@H]2CCC[NH2+][C@H]2C)C1 ZINC000713976987 712475575 /nfs/dbraw/zinc/47/55/75/712475575.db2.gz IUWHZLVWRZDPNJ-WNYYMSAVSA-N 1 0 240.347 0.916 10 0 BCAERO COCC1CC([NH2+]C[C@@H](O)CN(C)C2CC2)C1 ZINC000714008924 712477318 /nfs/dbraw/zinc/47/73/18/712477318.db2.gz USLWOHHYHWXZGE-GCZXYKMCSA-N 1 0 242.363 0.456 10 0 BCAERO COCC1CC([NH2+]C[C@@]2(OC)CCOC2)C1 ZINC000714007643 712477354 /nfs/dbraw/zinc/47/73/54/712477354.db2.gz MWUQWGLCIAZHPL-MCIGGMRASA-N 1 0 229.320 0.807 10 0 BCAERO [NH3+]C[C@H]1C[C@@H](c2nc(-c3ccccn3)no2)CO1 ZINC000714062232 712477707 /nfs/dbraw/zinc/47/77/07/712477707.db2.gz DNARYXURLQIRHH-RKDXNWHRSA-N 1 0 246.270 0.963 10 0 BCAERO CC(C)(O)C[NH2+]CC[C@@H]1CCCS1(=O)=O ZINC000714323990 712482204 /nfs/dbraw/zinc/48/22/04/712482204.db2.gz YAONZMHKEOAPRA-VIFPVBQESA-N 1 0 235.349 0.314 10 0 BCAERO CCn1cc(CN2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)nn1 ZINC000714430998 712486335 /nfs/dbraw/zinc/48/63/35/712486335.db2.gz YZENDTIGZPOXAT-DLOVCJGASA-N 1 0 235.335 0.467 10 0 BCAERO CCn1cc(CN2C[C@H](C)[C@H](C[NH3+])C2)nn1 ZINC000714454080 712490261 /nfs/dbraw/zinc/49/02/61/712490261.db2.gz BIZNWWZVLJGGCP-VHSXEESVSA-N 1 0 223.324 0.325 10 0 BCAERO CCCn1cc(C[NH2+]C[C@H]2CCC[C@H]2O)nn1 ZINC000714461892 712490525 /nfs/dbraw/zinc/49/05/25/712490525.db2.gz WAWKAJUMWJIZJV-ZYHUDNBSSA-N 1 0 238.335 0.939 10 0 BCAERO CCCn1cc(C[NH2+][C@@H]2CCO[C@H]2C)nn1 ZINC000714479896 712491600 /nfs/dbraw/zinc/49/16/00/712491600.db2.gz WDHSRSXXHKMTQP-GXSJLCMTSA-N 1 0 224.308 0.955 10 0 BCAERO CCCn1cc(C[NH2+]C2CC(OC)C2)nn1 ZINC000714481256 712491916 /nfs/dbraw/zinc/49/19/16/712491916.db2.gz ZIDJCOLSJFXHCA-UHFFFAOYSA-N 1 0 224.308 0.955 10 0 BCAERO CCn1cc(CN[C@H]2CCC[N@H+](CC)C2)nn1 ZINC000714928218 712500583 /nfs/dbraw/zinc/50/05/83/712500583.db2.gz NUPQWPSLKQVLKT-NSHDSACASA-N 1 0 237.351 0.872 10 0 BCAERO [NH3+]C1CC(CNS(=O)(=O)CCCC2CC2)C1 ZINC000715048510 712504539 /nfs/dbraw/zinc/50/45/39/712504539.db2.gz KKCQFVMKGVLFRU-UHFFFAOYSA-N 1 0 246.376 0.833 10 0 BCAERO C[C@@H]([NH3+])CC(=O)N1[C@H](C)COC[C@H]1C ZINC000715068957 712505647 /nfs/dbraw/zinc/50/56/47/712505647.db2.gz FBMXXNWAUWBLOU-IWSPIJDZSA-N 1 0 200.282 0.360 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000036873475 712506868 /nfs/dbraw/zinc/50/68/68/712506868.db2.gz PYVOWCGUYDLUJK-MRVPVSSYSA-N 1 0 248.286 0.922 10 0 BCAERO CC1(C)OC[C@H](C[NH2+][C@@H]2CCCNC2=O)O1 ZINC000715083289 712507169 /nfs/dbraw/zinc/50/71/69/712507169.db2.gz WMWHTYIUPNSASO-DTWKUNHWSA-N 1 0 228.292 0.006 10 0 BCAERO Cc1cc(C(=O)NCC2CC([NH3+])C2)on1 ZINC000715083525 712507530 /nfs/dbraw/zinc/50/75/30/712507530.db2.gz VURYGRFWIIRCCI-UHFFFAOYSA-N 1 0 209.249 0.450 10 0 BCAERO Cn1cc(/C=C\C(=O)NCC2CC([NH3+])C2)cn1 ZINC000715097118 712508440 /nfs/dbraw/zinc/50/84/40/712508440.db2.gz PRRXWXIVRTWGLT-IHWYPQMZSA-N 1 0 234.303 0.287 10 0 BCAERO CCC(F)(F)C(=O)NCC1CC([NH3+])C1 ZINC000715114081 712509926 /nfs/dbraw/zinc/50/99/26/712509926.db2.gz PEWIVUBTLUWBOE-UHFFFAOYSA-N 1 0 206.236 0.885 10 0 BCAERO [NH3+][C@H]1C[C@@H](CNc2ncnc3nc[nH]c32)C1 ZINC000715146225 712512393 /nfs/dbraw/zinc/51/23/93/712512393.db2.gz KYBCTIHRUKXIEL-KNVOCYPGSA-N 1 0 218.264 0.454 10 0 BCAERO CN(C)c1nccc(NC[C@H]2C[C@@H]([NH3+])C2)n1 ZINC000715147057 712512552 /nfs/dbraw/zinc/51/25/52/712512552.db2.gz SRLITYJFAVWUML-DTORHVGOSA-N 1 0 221.308 0.692 10 0 BCAERO Cc1c[nH]nc1CN(C)CC[N@H+](C)CCO ZINC000715399638 712516314 /nfs/dbraw/zinc/51/63/14/712516314.db2.gz MBTOZVFERICURA-UHFFFAOYSA-N 1 0 226.324 0.074 10 0 BCAERO CC(C)CNC(=O)[C@]12C[NH2+]C[C@H]1COCC2 ZINC000715443039 712519157 /nfs/dbraw/zinc/51/91/57/712519157.db2.gz XPNFAODMHLTXQF-CMPLNLGQSA-N 1 0 226.320 0.385 10 0 BCAERO O=C(NCC1CC1)[C@]12C[NH2+]C[C@H]1COCC2 ZINC000715444456 712519305 /nfs/dbraw/zinc/51/93/05/712519305.db2.gz ZGLKJMSJGKSPJJ-CMPLNLGQSA-N 1 0 224.304 0.139 10 0 BCAERO [NH3+]Cc1cn(C[C@@H]2CC[C@@H](C3CC3)O2)nn1 ZINC000715466019 712519836 /nfs/dbraw/zinc/51/98/36/712519836.db2.gz WKUVXGDTMCPLGM-QWRGUYRKSA-N 1 0 222.292 0.694 10 0 BCAERO O=C(NCCCCO)[C@]12C[NH2+]C[C@H]1CCCC2 ZINC000715340417 712521212 /nfs/dbraw/zinc/52/12/12/712521212.db2.gz GQWHCFVOYTXLMM-DGCLKSJQSA-N 1 0 240.347 0.655 10 0 BCAERO OC[C@H]1C[C@@H](O)C[N@@H+]1CC[C@@H]1C[C@H]1C1CC1 ZINC000715492237 712523086 /nfs/dbraw/zinc/52/30/86/712523086.db2.gz VNSOGKKVLCDSLH-LPWJVIDDSA-N 1 0 225.332 0.850 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N1C[C@H]2[C@@H](C1)C2(F)F ZINC000715493765 712523459 /nfs/dbraw/zinc/52/34/59/712523459.db2.gz RTBBAMPFOCHFCC-RNJXMRFFSA-N 1 0 218.247 0.837 10 0 BCAERO O=C(NC[C@@H]1CCC[C@@H]1O)C12CC[NH+](CC1)C2 ZINC000715817363 712533353 /nfs/dbraw/zinc/53/33/53/712533353.db2.gz IFWUMLWGCPVJQZ-QWRGUYRKSA-N 1 0 238.331 0.359 10 0 BCAERO C[C@H]([NH2+][C@H]1CCO[C@@H]1C)c1cn(C)nn1 ZINC000715854337 712536551 /nfs/dbraw/zinc/53/65/51/712536551.db2.gz LNIBHTOQTWUBQS-YIZRAAEISA-N 1 0 210.281 0.643 10 0 BCAERO C[C@@H]1C[C@@H](O)CN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000715863908 712537462 /nfs/dbraw/zinc/53/74/62/712537462.db2.gz LILWABHGBRNXNA-GHMZBOCLSA-N 1 0 238.331 0.312 10 0 BCAERO C[C@@H]1OCC[C@H]1[NH2+]C1CC(S(C)(=O)=O)C1 ZINC000716062837 712549370 /nfs/dbraw/zinc/54/93/70/712549370.db2.gz RGVXMRUCHXIFLA-AUXWQGHOSA-N 1 0 233.333 0.329 10 0 BCAERO C[C@@H]1C[C@H]1[NH2+]C1CC(S(C)(=O)=O)C1 ZINC000716094486 712550087 /nfs/dbraw/zinc/55/00/87/712550087.db2.gz RVAQTIGOVNQEDT-MDVIFZSFSA-N 1 0 203.307 0.560 10 0 BCAERO CS(=O)(=O)C1CC([NH2+][C@H]2CCC[C@@H](O)C2)C1 ZINC000716082477 712550274 /nfs/dbraw/zinc/55/02/74/712550274.db2.gz BYNLNTAGGCOTES-QPBDYMMBSA-N 1 0 247.360 0.455 10 0 BCAERO C[C@H]1CSC[C@H]1[NH2+]C1CC(C(N)=O)C1 ZINC000716731811 712571635 /nfs/dbraw/zinc/57/16/35/712571635.db2.gz PTJCTRDQMUNSFL-DFAZKQQPSA-N 1 0 214.334 0.591 10 0 BCAERO CC1(C)[C@H]([NH2+]C2CC(C(N)=O)C2)[C@@H]2CCO[C@H]21 ZINC000716682699 712569871 /nfs/dbraw/zinc/56/98/71/712569871.db2.gz DDHMUXZDCMHYDN-NWUXKBAASA-N 1 0 238.331 0.653 10 0 BCAERO NC(=O)C1CC(N[C@H]2C[C@H]([NH3+])c3ccccc32)C1 ZINC000716721220 712570752 /nfs/dbraw/zinc/57/07/52/712570752.db2.gz AIYVHAQDHMZJAR-KGXPXNLBSA-N 1 0 245.326 0.985 10 0 BCAERO CC[C@@H](COC)[NH2+]C1CC(C(N)=O)C1 ZINC000716721391 712570757 /nfs/dbraw/zinc/57/07/57/712570757.db2.gz CDXMCHGTCHRDPV-MGURRDGZSA-N 1 0 200.282 0.265 10 0 BCAERO NC(=O)C1CC([NH2+][C@H]2CO[C@H](C3CC3)C2)C1 ZINC000716722401 712570777 /nfs/dbraw/zinc/57/07/77/712570777.db2.gz JBBMMFXTQQQZIN-LXKPXOPUSA-N 1 0 224.304 0.407 10 0 BCAERO COc1cc(C[NH2+]C2CC(C(N)=O)C2)sn1 ZINC000716715565 712570808 /nfs/dbraw/zinc/57/08/08/712570808.db2.gz ICBQCDHVOWYNSC-UHFFFAOYSA-N 1 0 241.316 0.505 10 0 BCAERO Cn1ncc2c1CCC[C@H]2[NH2+]C1CC(C(N)=O)C1 ZINC000716732375 712571422 /nfs/dbraw/zinc/57/14/22/712571422.db2.gz RDMNGNKGQSHQIY-NWGYLPEXSA-N 1 0 248.330 0.651 10 0 BCAERO C[C@@H]([NH2+]C1CC(C(N)=O)C1)C1(Cl)CC1 ZINC000716733022 712571502 /nfs/dbraw/zinc/57/15/02/712571502.db2.gz WYFLJSNCQNMKBS-JECWYVHBSA-N 1 0 216.712 1.000 10 0 BCAERO COc1cncc(C[NH2+]C2CC(C(N)=O)C2)c1 ZINC000716731797 712571620 /nfs/dbraw/zinc/57/16/20/712571620.db2.gz PMGNNEDTRMCSMQ-UHFFFAOYSA-N 1 0 235.287 0.444 10 0 BCAERO C[C@H]([NH2+]C1CC(C(N)=O)C1)[C@H]1CCOC1 ZINC000716740277 712571712 /nfs/dbraw/zinc/57/17/12/712571712.db2.gz INDKWOPAJBOCTB-DKEVHCRPSA-N 1 0 212.293 0.265 10 0 BCAERO COC(C)(C)[C@@H](C)[NH2+]C1CC(C(N)=O)C1 ZINC000716745638 712572150 /nfs/dbraw/zinc/57/21/50/712572150.db2.gz LYPJQJOPTKQNPV-AFPNSQJFSA-N 1 0 214.309 0.653 10 0 BCAERO Cc1ccc(C[NH2+]C2CC(C(N)=O)C2)cn1 ZINC000716756156 712572355 /nfs/dbraw/zinc/57/23/55/712572355.db2.gz WADMJORRNUPATK-UHFFFAOYSA-N 1 0 219.288 0.744 10 0 BCAERO Cc1nn(C)c(C)c1C[NH2+]C1CC(C(N)=O)C1 ZINC000716788467 712573471 /nfs/dbraw/zinc/57/34/71/712573471.db2.gz GPHLHWBCFDGGGV-UHFFFAOYSA-N 1 0 236.319 0.390 10 0 BCAERO Cc1nn(C)cc1[C@H](C)[NH2+]C1CC(C(N)=O)C1 ZINC000716783696 712573657 /nfs/dbraw/zinc/57/36/57/712573657.db2.gz YDMFPGWYDYDDEP-WFRXLMHJSA-N 1 0 236.319 0.643 10 0 BCAERO C[C@@H]1CN(C(=O)C[C@H]2CC(C)(C)CO2)C[C@H]1[NH3+] ZINC000717091509 712630074 /nfs/dbraw/zinc/63/00/74/712630074.db2.gz LUSJVSYXDQPSBR-OUAUKWLOSA-N 1 0 240.347 0.997 10 0 BCAERO CC1(C)CO[C@@H](CC(=O)NC[C@@H]2CC[NH2+]C2)C1 ZINC000717087190 712630203 /nfs/dbraw/zinc/63/02/03/712630203.db2.gz ALHWVCDJJQNEHI-MNOVXSKESA-N 1 0 240.347 0.917 10 0 BCAERO CC1(C)CO[C@@H](CC(=O)NC[C@H]2CC[NH2+]C2)C1 ZINC000717087191 712630233 /nfs/dbraw/zinc/63/02/33/712630233.db2.gz ALHWVCDJJQNEHI-QWRGUYRKSA-N 1 0 240.347 0.917 10 0 BCAERO C[C@H]1COCCN1C(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000717307025 712646240 /nfs/dbraw/zinc/64/62/40/712646240.db2.gz RQKLFUISGGDODZ-IUCAKERBSA-N 1 0 248.273 0.479 10 0 BCAERO C[C@@H]([NH3+])CC(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000037475658 712648117 /nfs/dbraw/zinc/64/81/17/712648117.db2.gz CTSOMZMMTSKGFR-IWSPIJDZSA-N 1 0 200.282 0.360 10 0 BCAERO Cc1cc(=O)[nH]c(C[NH2+][C@H](CO)C2CCC2)n1 ZINC000717595404 712661126 /nfs/dbraw/zinc/66/11/26/712661126.db2.gz SHAOQXYSRWQVAB-SNVBAGLBSA-N 1 0 237.303 0.741 10 0 BCAERO [NH3+]C[C@@H]1CCCCN1C(=O)COC1CC1 ZINC000717662745 712663554 /nfs/dbraw/zinc/66/35/54/712663554.db2.gz BWYHMSFBRPQNIB-VIFPVBQESA-N 1 0 212.293 0.505 10 0 BCAERO [NH3+]C[C@@H]1CCCN1S(=O)(=O)c1ccns1 ZINC000717736555 712669359 /nfs/dbraw/zinc/66/93/59/712669359.db2.gz OBFOIKKQSUDIGH-ZETCQYMHSA-N 1 0 247.345 0.255 10 0 BCAERO C[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCc2ncnn2C1 ZINC000380075054 712684793 /nfs/dbraw/zinc/68/47/93/712684793.db2.gz FDQGXXNVGHPMMO-BBBLOLIVSA-N 1 0 206.293 0.981 10 0 BCAERO [NH3+][C@@H]1CCC[C@@H](C(=O)NC[C@H]2CCC[C@H]2O)C1 ZINC000718021670 712736677 /nfs/dbraw/zinc/73/66/77/712736677.db2.gz SRYYGLUAFLGDLB-DDHJBXDOSA-N 1 0 240.347 0.781 10 0 BCAERO C[C@@H]1CO[C@@H](C(=O)N2CCC[C@H]2C[NH3+])C1 ZINC000718445538 712762714 /nfs/dbraw/zinc/76/27/14/712762714.db2.gz HRRVQILWXLPCKL-LPEHRKFASA-N 1 0 212.293 0.361 10 0 BCAERO C[C@@H]1CO[C@H](C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)C1 ZINC000718515090 712768306 /nfs/dbraw/zinc/76/83/06/712768306.db2.gz DYPUYPKLNUNKIO-SVNGYHJRSA-N 1 0 238.331 0.607 10 0 BCAERO NC(=O)CC1CC([NH2+][C@@H]2CCCC[C@H]2O)C1 ZINC000718536244 712771485 /nfs/dbraw/zinc/77/14/85/712771485.db2.gz IYZGALQDGUAVIA-JPPWEJMLSA-N 1 0 226.320 0.534 10 0 BCAERO CCS(=O)(=O)CC[NH2+]CC[C@@H]1CCCO1 ZINC000038096963 712807769 /nfs/dbraw/zinc/80/77/69/712807769.db2.gz LOKMSBVLQBVJGH-JTQLQIEISA-N 1 0 235.349 0.580 10 0 BCAERO Cc1c(C[NH2+][C@@H]2CCN(C)[C@H]2C)cnn1C ZINC000719576636 712812130 /nfs/dbraw/zinc/81/21/30/712812130.db2.gz AHDJCPNPFGYMMQ-CMPLNLGQSA-N 1 0 222.336 0.911 10 0 BCAERO C[C@]1(C(=O)NC[C@@H]2CCCC[C@H]2O)CC[NH2+]C1 ZINC000250819098 712834592 /nfs/dbraw/zinc/83/45/92/712834592.db2.gz YUEDYPTVESIHOY-LOWVWBTDSA-N 1 0 240.347 0.653 10 0 BCAERO C[C@H](C(=O)N1CCC[C@H]([NH3+])C1)[C@@H]1CCCO1 ZINC000720526957 712849364 /nfs/dbraw/zinc/84/93/64/712849364.db2.gz PAGWGFKIGWPFMD-DCAQKATOSA-N 1 0 226.320 0.751 10 0 BCAERO Cc1cc(C[NH2+][C@H]2CCC(=O)N[C@@H]2C)c(C)nn1 ZINC000720569889 712852416 /nfs/dbraw/zinc/85/24/16/712852416.db2.gz NOWCFLCYXKVWIA-PWSUYJOCSA-N 1 0 248.330 0.850 10 0 BCAERO C[C@H](NC[C@H]1CCC[NH2+]C1)c1cn(C)nn1 ZINC000720582718 712855000 /nfs/dbraw/zinc/85/50/00/712855000.db2.gz IXBVSSJTGXGBCG-UWVGGRQHSA-N 1 0 223.324 0.465 10 0 BCAERO C[C@H](N[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)c1cn(C)nn1 ZINC000720593727 712856730 /nfs/dbraw/zinc/85/67/30/712856730.db2.gz AVEMHNMHKKFNPY-TZSFNEBQSA-N 1 0 247.346 0.462 10 0 BCAERO C[C@@H](NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cn(C)nn1 ZINC000720596857 712856770 /nfs/dbraw/zinc/85/67/70/712856770.db2.gz UZANVZYMZSEBJG-NFLHVTIKSA-N 1 0 235.335 0.749 10 0 BCAERO C[C@H](N[C@H]1C[C@H]([NH3+])C12CCC2)c1cn(C)nn1 ZINC000720602116 712857396 /nfs/dbraw/zinc/85/73/96/712857396.db2.gz JPOGQSPNOBCBJP-LSJOCFKGSA-N 1 0 235.335 0.736 10 0 BCAERO C[C@H](N[C@@H](C)[C@@H]1CC[NH2+]C1)c1cn(C)nn1 ZINC000720604336 712858039 /nfs/dbraw/zinc/85/80/39/712858039.db2.gz ZQONNFWRMXPSMM-LPEHRKFASA-N 1 0 223.324 0.464 10 0 BCAERO C[C@@H]1Cc2cc(C[NH2+][C@@H]3CCNC3=O)ccc2O1 ZINC000720708093 712861979 /nfs/dbraw/zinc/86/19/79/712861979.db2.gz YYRKYVIMYFQEJY-BXKDBHETSA-N 1 0 246.310 0.988 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1CCNc1ccnc(C(N)=O)c1 ZINC000721028180 712887257 /nfs/dbraw/zinc/88/72/57/712887257.db2.gz OWVRZLAKWTVVSD-NXEZZACHSA-N 1 0 248.330 0.838 10 0 BCAERO C[C@H](NC(=O)[C@@H]1[C@@H]2CC[NH2+]C[C@@H]21)[C@@H]1CCCO1 ZINC000721023569 712887488 /nfs/dbraw/zinc/88/74/88/712887488.db2.gz CEWJZJWFQZIYPK-KZZRWZIVSA-N 1 0 238.331 0.526 10 0 BCAERO c1nnn(C2C[NH2+]C2)c1-c1ccncc1 ZINC000685953764 538898614 /nfs/dbraw/zinc/89/86/14/538898614.db2.gz ZWIIVSJFWJOOST-UHFFFAOYSA-N 1 0 201.233 0.484 10 0 BCAERO CC(C)[N@@H+]1CC[C@@H](N)[C@]12CN1CCC2CC1 ZINC000685955212 538900491 /nfs/dbraw/zinc/90/04/91/538900491.db2.gz WITDNCHBQACLQS-CHWSQXEVSA-N 1 0 223.364 0.892 10 0 BCAERO CCS(=O)(=O)[C@@H]1CC[C@H](C)C[C@H]1[NH3+] ZINC000685955400 538901231 /nfs/dbraw/zinc/90/12/31/538901231.db2.gz ZBLIWMGYXUJJGT-DJLDLDEBSA-N 1 0 205.323 0.937 10 0 BCAERO CN(CC1CSC1)CC(F)(F)CN ZINC000685957151 538903730 /nfs/dbraw/zinc/90/37/30/538903730.db2.gz RZHZKKMQFCGUKZ-UHFFFAOYSA-N 1 0 210.293 0.875 10 0 BCAERO CCC(CC)(C(N)=O)N1CCC[NH2+]CC1 ZINC000037943890 168313316 /nfs/dbraw/zinc/31/33/16/168313316.db2.gz RCCXQUCXHMGQOI-UHFFFAOYSA-N 1 0 213.325 0.326 10 0 BCAERO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)[C@H]1CCOC1)C2 ZINC000685952484 538896507 /nfs/dbraw/zinc/89/65/07/538896507.db2.gz MVGWOPBKXIYEES-MMWGEVLESA-N 1 0 224.304 0.361 10 0 BCAERO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)[C@@H]1CCOC1)C2 ZINC000685952486 538896521 /nfs/dbraw/zinc/89/65/21/538896521.db2.gz MVGWOPBKXIYEES-VLEAKVRGSA-N 1 0 224.304 0.361 10 0 BCAERO CCOC(=O)c1n[nH]nc1[C@@H]1CC[NH2+][C@@H]1C ZINC000685952722 538896648 /nfs/dbraw/zinc/89/66/48/538896648.db2.gz COLJWYQKAGAPBD-RNFRBKRXSA-N 1 0 224.264 0.447 10 0 BCAERO CCCN1CC[C@H]([NH3+])C12CCS(=O)(=O)CC2 ZINC000685953375 538897234 /nfs/dbraw/zinc/89/72/34/538897234.db2.gz GTROFZGWTZCPJK-JTQLQIEISA-N 1 0 246.376 0.377 10 0 BCAERO C[C@@H](C(N)=[NH2+])N1CCSC[C@@H](C)C1 ZINC000307361809 398138466 /nfs/dbraw/zinc/13/84/66/398138466.db2.gz HZXCLSCTFSWIEO-YUMQZZPRSA-N 1 0 201.339 0.996 10 0 BCAERO Cc1cc(C)nc(CN2CC[NH2+]CC2)n1 ZINC000070996349 177935001 /nfs/dbraw/zinc/93/50/01/177935001.db2.gz YWTHGLLHKCTHGR-UHFFFAOYSA-N 1 0 206.293 0.499 10 0 BCAERO FC(F)(F)[C@H]([C@@H]1CCOC1)N1CC[NH2+]CC1 ZINC000685965178 538911596 /nfs/dbraw/zinc/91/15/96/538911596.db2.gz SAENJZDSPXCBGD-BDAKNGLRSA-N 1 0 238.253 0.859 10 0 BCAERO Nc1cc[nH+]cc1C(=O)NCCc1ncc[nH]1 ZINC000141800477 136212223 /nfs/dbraw/zinc/21/22/23/136212223.db2.gz JTSVEJRRTXFZNA-UHFFFAOYSA-N 1 0 231.259 0.359 10 0 BCAERO CCC(CC)(C[NH3+])C(=O)NC[C@@H]1CCOC1 ZINC000061146861 168321695 /nfs/dbraw/zinc/32/16/95/168321695.db2.gz CQIOZXGVFJERAC-JTQLQIEISA-N 1 0 228.336 0.904 10 0 BCAERO CCC(CC)(C[NH3+])C(=O)N1CC[C@@H](O)C1 ZINC000061711036 168321851 /nfs/dbraw/zinc/32/18/51/168321851.db2.gz FIHBMIONINCVNN-SECBINFHSA-N 1 0 214.309 0.345 10 0 BCAERO C[C@@H]1C[C@@H](NC(=O)[C@H]2CCC[NH2+]C2)CO1 ZINC000402098530 349472523 /nfs/dbraw/zinc/47/25/23/349472523.db2.gz NIKBGLNUVSEWDM-KXUCPTDWSA-N 1 0 212.293 0.280 10 0 BCAERO C[C@@H]1C[C@H]([NH3+])CN1C(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000385284965 398144519 /nfs/dbraw/zinc/14/45/19/398144519.db2.gz WNOBLSGWQOFJEX-NZFPMDFQSA-N 1 0 208.305 0.981 10 0 BCAERO Cn1cc([C@@H]2CCCN2C(=O)[C@H]2C[C@@H]([NH3+])C2)cn1 ZINC000649322342 398144652 /nfs/dbraw/zinc/14/46/52/398144652.db2.gz NXLDHBDBLXOFBU-WCQGTBRESA-N 1 0 248.330 0.821 10 0 BCAERO CCC(CC)(CO)[NH2+]CC(=O)N[C@@H](C)COC ZINC000053070336 168329502 /nfs/dbraw/zinc/32/95/02/168329502.db2.gz MSWRWCUDIIXGJG-JTQLQIEISA-N 1 0 246.351 0.278 10 0 BCAERO COc1ncccc1C(=O)NCC[C@@H](C)[NH3+] ZINC000063170045 349500967 /nfs/dbraw/zinc/50/09/67/349500967.db2.gz NNRDRPJBDJNYGJ-MRVPVSSYSA-N 1 0 223.276 0.557 10 0 BCAERO CN(C(=O)[C@H]1C[NH2+]CCOC1)c1cccnc1 ZINC000649334246 398150706 /nfs/dbraw/zinc/15/07/06/398150706.db2.gz WVCCJAPNNKBZTP-JTQLQIEISA-N 1 0 235.287 0.280 10 0 BCAERO Cc1cc(CN2C[C@@H](F)C[C@H]2C[NH3+])on1 ZINC000238857295 178005765 /nfs/dbraw/zinc/00/57/65/178005765.db2.gz YSBVDQGUDNYDDF-IUCAKERBSA-N 1 0 213.256 0.854 10 0 BCAERO CC(C)(C)OC(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000299805255 398152922 /nfs/dbraw/zinc/15/29/22/398152922.db2.gz GGMMBDZOUNAQJL-SECBINFHSA-N 1 0 230.308 0.890 10 0 BCAERO Cc1cc(CNC(=O)[C@@H]2CCC[NH2+][C@H]2C)on1 ZINC000335596307 178014374 /nfs/dbraw/zinc/01/43/74/178014374.db2.gz KQHXUQJYDFEVTL-GXSJLCMTSA-N 1 0 237.303 0.987 10 0 BCAERO Cc1cc(CNC(=O)[C@H]2CC[NH2+]C2)no1 ZINC000062116635 178015984 /nfs/dbraw/zinc/01/59/84/178015984.db2.gz KKJCJRRGEVASPM-QMMMGPOBSA-N 1 0 209.249 0.209 10 0 BCAERO C[C@H]([C@H](C)[NH3+])N1CCC([C@H](C)O)CC1 ZINC000307511896 398173889 /nfs/dbraw/zinc/17/38/89/398173889.db2.gz LXEQDSOWDMSERX-AEJSXWLSSA-N 1 0 200.326 0.815 10 0 BCAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)c1ccc(N(C)C)nc1 ZINC000649362477 398175205 /nfs/dbraw/zinc/17/52/05/398175205.db2.gz MDSZCDRXESJDAK-MWLCHTKSSA-N 1 0 248.330 0.709 10 0 BCAERO CC(C)NC(=O)CN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000177772192 136216958 /nfs/dbraw/zinc/21/69/58/136216958.db2.gz UJZPQPCIRPYUQJ-GFCCVEGCSA-N 1 0 239.363 0.681 10 0 BCAERO C[C@@H](O)CC[NH2+]C[C@](C)(O)C(F)(F)F ZINC000379652264 398160633 /nfs/dbraw/zinc/16/06/33/398160633.db2.gz GLJMUOOTPARLME-RQJHMYQMSA-N 1 0 215.215 0.660 10 0 BCAERO C[C@H](O)CC[NH2+]C[C@@](C)(O)C(F)(F)F ZINC000379652262 398160699 /nfs/dbraw/zinc/16/06/99/398160699.db2.gz GLJMUOOTPARLME-NKWVEPMBSA-N 1 0 215.215 0.660 10 0 BCAERO O=S(=O)(CC1CCC1)NC[C@@H]1CC[NH2+]C1 ZINC000379706957 398161277 /nfs/dbraw/zinc/16/12/77/398161277.db2.gz SMWTZXAZPZKFQE-SNVBAGLBSA-N 1 0 232.349 0.315 10 0 BCAERO COC[C@H](C)C(=O)N1CCC(C)([NH3+])CC1 ZINC000390656092 398188548 /nfs/dbraw/zinc/18/85/48/398188548.db2.gz QSLZQBIJRNXAKS-VIFPVBQESA-N 1 0 214.309 0.609 10 0 BCAERO COC(=O)[C@@H]1CCCCN1C(=O)CC(C)(C)[NH3+] ZINC000084170312 398192660 /nfs/dbraw/zinc/19/26/60/398192660.db2.gz ICFQRZADKVSKHK-VIFPVBQESA-N 1 0 242.319 0.668 10 0 BCAERO Cn1ccnc1[C@@H]1[C@@H](C[NH3+])CCC(=O)N1C ZINC000399733297 398196638 /nfs/dbraw/zinc/19/66/38/398196638.db2.gz LCCSIYKJDATJHK-SCZZXKLOSA-N 1 0 222.292 0.288 10 0 BCAERO CN(CC(F)(F)F)C(=O)[C@@H]1C[NH2+]CCOC1 ZINC000649373819 398184388 /nfs/dbraw/zinc/18/43/88/398184388.db2.gz DBPBYLRNYRNIIV-SSDOTTSWSA-N 1 0 240.225 0.243 10 0 BCAERO Cc1cc(N2CC[C@](C)(C[NH3+])C2)ncn1 ZINC000235855396 178119963 /nfs/dbraw/zinc/11/99/63/178119963.db2.gz ZCAYTYUHMHROPH-LLVKDONJSA-N 1 0 206.293 0.960 10 0 BCAERO C[C@@H]1[C@@H](O)CCC[N@@H+]1C[C@@H]1CCCN1C ZINC000386318590 398204326 /nfs/dbraw/zinc/20/43/26/398204326.db2.gz NEBDQZOAFIZQGK-WOPDTQHZSA-N 1 0 212.337 0.926 10 0 BCAERO Cc1cc(C(=O)N2CC[C@@H]([NH3+])[C@@H]2C)nn1C ZINC000380668037 398205503 /nfs/dbraw/zinc/20/55/03/398205503.db2.gz AEOFCDFXWQLXPQ-DTWKUNHWSA-N 1 0 222.292 0.290 10 0 BCAERO [NH3+]CCN1CCC[C@H](c2cccnn2)C1 ZINC000616622045 398207194 /nfs/dbraw/zinc/20/71/94/398207194.db2.gz ZMQWMSYKCOIZIL-JTQLQIEISA-N 1 0 206.293 0.615 10 0 BCAERO Cc1cccnc1C(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000576351135 365573471 /nfs/dbraw/zinc/57/34/71/365573471.db2.gz RLOJILQZVWLZLB-WDEREUQCSA-N 1 0 247.298 0.203 10 0 BCAERO Cc1cc2ncnn2c(NCCOCC[NH3+])c1 ZINC000104314037 178161559 /nfs/dbraw/zinc/16/15/59/178161559.db2.gz FNERUTIQCOPJBF-UHFFFAOYSA-N 1 0 235.291 0.425 10 0 BCAERO Cc1cc(NCC[C@@H]2CC[NH2+]C2)n2ncnc2n1 ZINC000110797988 178163095 /nfs/dbraw/zinc/16/30/95/178163095.db2.gz IXLNWFKKDMSVIN-JTQLQIEISA-N 1 0 246.318 0.844 10 0 BCAERO C[C@H](CC(N)=O)[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000336758033 398212726 /nfs/dbraw/zinc/21/27/26/398212726.db2.gz KHZDCGNRDOSJBJ-KXUCPTDWSA-N 1 0 214.309 0.391 10 0 BCAERO Cc1cc(NC[C@@H]2CN3CCN2CC3)cc[nH+]1 ZINC000302461235 178167656 /nfs/dbraw/zinc/16/76/56/178167656.db2.gz OYBNRRUBZVSUHJ-CYBMUJFWSA-N 1 0 232.331 0.802 10 0 BCAERO CO[C@H]1C[NH2+][C@H](c2nc(C3CC3)no2)C1 ZINC000021505582 136222182 /nfs/dbraw/zinc/22/21/82/136222182.db2.gz ASWIBTMGLOTJQK-SFYZADRCSA-N 1 0 209.249 0.996 10 0 BCAERO Cc1cc(N[C@@H]2CC[C@@H](O)C2)nc(N)[nH+]1 ZINC000033358812 178183385 /nfs/dbraw/zinc/18/33/85/178183385.db2.gz YJODIMXNGGWVEN-HTQZYQBOSA-N 1 0 208.265 0.693 10 0 BCAERO [NH3+]C/C=C\C(=O)N(CCO)Cc1ccccc1 ZINC000382065202 361745902 /nfs/dbraw/zinc/74/59/02/361745902.db2.gz QSQBOOPHJSKOGD-DAXSKMNVSA-N 1 0 234.299 0.522 10 0 BCAERO Cc1cc(OC[C@H]2C[NH2+]CCO2)ncn1 ZINC000076642233 178212010 /nfs/dbraw/zinc/21/20/10/178212010.db2.gz KFZIWDCFLSYDNM-SECBINFHSA-N 1 0 209.249 0.152 10 0 BCAERO CCN1CCO[C@H](C[NH3+])[C@@H]1c1ccnn1C ZINC000164786692 538934006 /nfs/dbraw/zinc/93/40/06/538934006.db2.gz JLOMQUHWLWSDDO-MNOVXSKESA-N 1 0 224.308 0.141 10 0 BCAERO CC(C)[C@](C)(O)C[N@@H+]1C[C@@H](O)C[C@H]1C ZINC000306642499 361767505 /nfs/dbraw/zinc/76/75/05/361767505.db2.gz TWWGXUFPWCDCTH-OUAUKWLOSA-N 1 0 201.310 0.849 10 0 BCAERO CCc1nc([C@@H]2CCCN2CC[NH3+])no1 ZINC000381286893 398247641 /nfs/dbraw/zinc/24/76/41/398247641.db2.gz ZSXQEVPOHWSWLH-QMMMGPOBSA-N 1 0 210.281 0.728 10 0 BCAERO C[C@H]1[NH2+]CCC[C@H]1NC(=O)c1ccn(C)c(=O)c1 ZINC000193639424 136228885 /nfs/dbraw/zinc/22/88/85/136228885.db2.gz AFKFKVLVYXYFKX-MWLCHTKSSA-N 1 0 249.314 0.256 10 0 BCAERO COC[C@H](C)C(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000193623574 136228897 /nfs/dbraw/zinc/22/88/97/136228897.db2.gz RGHKJKBCQGRHDE-GUBZILKMSA-N 1 0 214.309 0.526 10 0 BCAERO CCCOCC(=O)N1CC[C@H](C)C[C@@H]1C[NH3+] ZINC000233223647 136230283 /nfs/dbraw/zinc/23/02/83/136230283.db2.gz IWPUBRXBUBJCGH-WDEREUQCSA-N 1 0 228.336 0.999 10 0 BCAERO Cc1ccc(-c2nnnn2CC[NH3+])c(F)c1 ZINC000051596257 178342121 /nfs/dbraw/zinc/34/21/21/178342121.db2.gz YLWHVMRMGWMKOU-UHFFFAOYSA-N 1 0 221.239 0.746 10 0 BCAERO CCOc1cc(NCCC[NH3+])nc(C)n1 ZINC000085484091 488177075 /nfs/dbraw/zinc/17/70/75/488177075.db2.gz SVTXZJQLQSQEQI-UHFFFAOYSA-N 1 0 210.281 0.944 10 0 BCAERO CCC(CC)[N@H+](C)C[C@@H](O)Cn1cc(N)cn1 ZINC000036788527 168369077 /nfs/dbraw/zinc/36/90/77/168369077.db2.gz MFOOYYSZOAGELA-GFCCVEGCSA-N 1 0 240.351 0.947 10 0 BCAERO CCC(CC)N(C)[C@H]1CS(=O)(=O)C[C@@H]1[NH3+] ZINC000054493009 168369696 /nfs/dbraw/zinc/36/96/96/168369696.db2.gz AYOPLEDYVKYISZ-UWVGGRQHSA-N 1 0 234.365 0.231 10 0 BCAERO CC(C)C1([NH2+]CC(=O)Nc2ccon2)CC1 ZINC000382180227 398255956 /nfs/dbraw/zinc/25/59/56/398255956.db2.gz ZHDSUPCABTZESG-UHFFFAOYSA-N 1 0 223.276 0.813 10 0 BCAERO Cc1ccc(=O)n(CC[NH2+]C[C@H]2CCCO2)n1 ZINC000061811111 178361261 /nfs/dbraw/zinc/36/12/61/178361261.db2.gz DLOWPGRKJGZCSF-LLVKDONJSA-N 1 0 237.303 0.320 10 0 BCAERO Cc1ccc(=O)n(C[C@@H]2CCCC[NH2+]2)n1 ZINC000061810561 178361565 /nfs/dbraw/zinc/36/15/65/178361565.db2.gz SGOXLYQZRAIQPE-JTQLQIEISA-N 1 0 207.277 0.694 10 0 BCAERO COC(C)(C)CN(C)C(=O)[C@H]1CC[NH2+]C1 ZINC000381549740 398263069 /nfs/dbraw/zinc/26/30/69/398263069.db2.gz MBTQAOLTUDASDA-VIFPVBQESA-N 1 0 214.309 0.479 10 0 BCAERO CCCCOC[C@H](O)C[N@@H+]1C[C@H](O)[C@H](CC)C1 ZINC000400024536 398259891 /nfs/dbraw/zinc/25/98/91/398259891.db2.gz DYCFFENJUOFLAY-UPJWGTAASA-N 1 0 245.363 0.867 10 0 BCAERO Cc1noc2ncnc(N(C)C3CC([NH3+])C3)c12 ZINC000384800216 398259946 /nfs/dbraw/zinc/25/99/46/398259946.db2.gz XSSDQFAHLSVRIF-UHFFFAOYSA-N 1 0 233.275 0.852 10 0 BCAERO CC(C)[C@@](C)([NH2+]C[C@@H]1CCCN1C)C(N)=O ZINC000386630698 398265598 /nfs/dbraw/zinc/26/55/98/398265598.db2.gz LTQYHYBEWZDQQO-CMPLNLGQSA-N 1 0 227.352 0.570 10 0 BCAERO COc1ccnc(N2C[C@H](C)[NH2+]C[C@H]2C)n1 ZINC000083119075 349560550 /nfs/dbraw/zinc/56/05/50/349560550.db2.gz HYBNQBFLQYJOMY-DTWKUNHWSA-N 1 0 222.292 0.672 10 0 BCAERO Cc1ccc(C(=O)N2C[C@@H](C)[C@@H]([NH3+])C2)n1C ZINC000235342803 178398713 /nfs/dbraw/zinc/39/87/13/178398713.db2.gz RDZKMGOJFMFSIH-SCZZXKLOSA-N 1 0 221.304 0.753 10 0 BCAERO CC1(C)OCC[C@H]1[NH2+]C[C@@H]1CNC(=O)O1 ZINC000378854961 346844447 /nfs/dbraw/zinc/84/44/47/346844447.db2.gz JJIQZUVQSVDFIT-HTQZYQBOSA-N 1 0 214.265 0.252 10 0 BCAERO CC(C)[N@H+](C)C[C@H](O)Cn1cc(N)cn1 ZINC000036683230 538960755 /nfs/dbraw/zinc/96/07/55/538960755.db2.gz PRPCZCQLTVSKQN-JTQLQIEISA-N 1 0 212.297 0.166 10 0 BCAERO C[C@@H]1C(=O)NCCC[N@H+]1CC1CCOCC1 ZINC000189079072 346857550 /nfs/dbraw/zinc/85/75/50/346857550.db2.gz HLXHWOOLCBZOOS-SNVBAGLBSA-N 1 0 226.320 0.623 10 0 BCAERO CC(C)NC(=O)CN1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000113271851 398275989 /nfs/dbraw/zinc/27/59/89/398275989.db2.gz OKPDHPCXQOUCPG-VXGBXAGGSA-N 1 0 239.363 0.680 10 0 BCAERO CC(C)(C)NC(=O)[C@@H]1C[NH2+]CCOC1 ZINC000606274928 488178734 /nfs/dbraw/zinc/17/87/34/488178734.db2.gz YHGFKSXWXYVNJV-MRVPVSSYSA-N 1 0 200.282 0.137 10 0 BCAERO CCC(CC)NC(=O)[C@H](C)[NH2+][C@H](C)C(=O)NC ZINC000042563019 168382447 /nfs/dbraw/zinc/38/24/47/168382447.db2.gz ZZLTYLXDLMQLHE-BDAKNGLRSA-N 1 0 243.351 0.404 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N(C)CC ZINC000231855319 342740429 /nfs/dbraw/zinc/74/04/29/342740429.db2.gz URSPIVUOCHMVEO-IUCAKERBSA-N 1 0 229.324 0.097 10 0 BCAERO O=C(C[C@H]1CCC[NH2+]C1)Nc1cncnc1 ZINC000232088687 342778010 /nfs/dbraw/zinc/77/80/10/342778010.db2.gz LGXNERVHXNNKTP-SECBINFHSA-N 1 0 220.276 0.805 10 0 BCAERO C[C@H]1CCC[C@]([NH3+])(C(=O)NCCO)C1 ZINC000070903702 361877499 /nfs/dbraw/zinc/87/74/99/361877499.db2.gz ZOXUWVTWFOVRPN-WCBMZHEXSA-N 1 0 200.282 0.003 10 0 BCAERO CCCCNC(=O)C[NH2+][C@H](C)COC ZINC000042212817 342763960 /nfs/dbraw/zinc/76/39/60/342763960.db2.gz KESWAIBGOIMKJH-SECBINFHSA-N 1 0 202.298 0.527 10 0 BCAERO CCC(C)(C)NC(=O)C[NH2+][C@@H](C)COC ZINC000042212831 342763970 /nfs/dbraw/zinc/76/39/70/342763970.db2.gz DKBLVWYLTGQGCB-VIFPVBQESA-N 1 0 216.325 0.916 10 0 BCAERO CC(C)(C[NH3+])S(=O)(=O)C1CCOCC1 ZINC000146970320 342773378 /nfs/dbraw/zinc/77/33/78/342773378.db2.gz DAGVFDZEDZWWMN-UHFFFAOYSA-N 1 0 221.322 0.318 10 0 BCAERO [NH3+]CCCCc1cccc(OC[C@H](O)CO)c1 ZINC000035898511 342801091 /nfs/dbraw/zinc/80/10/91/342801091.db2.gz CPZCOBINJCXRRQ-GFCCVEGCSA-N 1 0 239.315 0.700 10 0 BCAERO COC(=O)C1(N)CC[NH+](C(C)C)CC1 ZINC000008698583 342802336 /nfs/dbraw/zinc/80/23/36/342802336.db2.gz SUBNBHZBMLOQPA-UHFFFAOYSA-N 1 0 200.282 0.361 10 0 BCAERO O=C(Nc1cnoc1)[C@@H]1CSCC[NH2+]1 ZINC000126904311 342802346 /nfs/dbraw/zinc/80/23/46/342802346.db2.gz HPDYTKJDDDQXHW-ZETCQYMHSA-N 1 0 213.262 0.318 10 0 BCAERO CC(C)(O)C[NH2+]Cc1ccc(C(N)=O)nc1 ZINC000309681344 342785101 /nfs/dbraw/zinc/78/51/01/342785101.db2.gz NHZYNWOVTOTRNN-UHFFFAOYSA-N 1 0 223.276 0.041 10 0 BCAERO CC(C)(C)NC(=O)[C@H]1CSCC[NH2+]1 ZINC000126578569 344003006 /nfs/dbraw/zinc/00/30/06/344003006.db2.gz CTTGCPYWJHCOQA-SSDOTTSWSA-N 1 0 202.323 0.606 10 0 BCAERO CC[C@H](O)[C@H](C)[N@@H+]1CCN(C)[C@@H](C)C1 ZINC000216595865 342786608 /nfs/dbraw/zinc/78/66/08/342786608.db2.gz RBSPRFVTZUBOQU-DCAQKATOSA-N 1 0 200.326 0.782 10 0 BCAERO CC(C)(C)NC(=O)[C@@H]1CSCC[NH2+]1 ZINC000126578342 344003098 /nfs/dbraw/zinc/00/30/98/344003098.db2.gz CTTGCPYWJHCOQA-ZETCQYMHSA-N 1 0 202.323 0.606 10 0 BCAERO CO[C@H]1CC[N@H+](Cc2ccncc2N)C1 ZINC000148572211 342791845 /nfs/dbraw/zinc/79/18/45/342791845.db2.gz WLCXQOSQJIIRPW-JTQLQIEISA-N 1 0 207.277 0.885 10 0 BCAERO Nc1ncnc(N[C@H]2CCOC[C@H]2O)c1Cl ZINC000624686982 342816204 /nfs/dbraw/zinc/81/62/04/342816204.db2.gz PAEQBDYDXUCPNS-NTSWFWBYSA-N 1 0 244.682 0.274 10 0 BCAERO CCc1cc(N[C@H]2CCOC[C@@H]2O)cc[nH+]1 ZINC000624687733 342816433 /nfs/dbraw/zinc/81/64/33/342816433.db2.gz XEAQOKAPWWLWOT-RYUDHWBXSA-N 1 0 222.288 0.628 10 0 BCAERO O=S1CCC([NH2+][C@@H]2CCCOC2)CC1 ZINC000071012665 361930373 /nfs/dbraw/zinc/93/03/73/361930373.db2.gz MRGZTCMXGFUUMN-OPASDULOSA-N 1 0 217.334 0.666 10 0 BCAERO O=C1NCC[C@H]1[NH2+]Cc1ccc(F)cc1 ZINC000379926968 538982247 /nfs/dbraw/zinc/98/22/47/538982247.db2.gz LXUDZQHVJCYDFY-SNVBAGLBSA-N 1 0 208.236 0.804 10 0 BCAERO CC(C)S(=O)(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000382541161 539009859 /nfs/dbraw/zinc/00/98/59/539009859.db2.gz YEHFDOJACXBBMT-RKDXNWHRSA-N 1 0 220.338 0.442 10 0 BCAERO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1S(N)(=O)=O ZINC000050349825 539010271 /nfs/dbraw/zinc/01/02/71/539010271.db2.gz FUFSBTQTPLWWLR-PRJMDXOYSA-N 1 0 206.311 0.004 10 0 BCAERO C[C@H](NC[C@@H]1CCC[N@@H+]1C)c1ncn(C)n1 ZINC000391960655 398299420 /nfs/dbraw/zinc/29/94/20/398299420.db2.gz MDESYISZMISTRA-UWVGGRQHSA-N 1 0 223.324 0.560 10 0 BCAERO CN(C)C(=O)c1cn[nH]c1[C@H]1CCCC[NH2+]1 ZINC000390359427 539021178 /nfs/dbraw/zinc/02/11/78/539021178.db2.gz LAXBDFSTLPVDGM-SECBINFHSA-N 1 0 222.292 0.926 10 0 BCAERO COc1ccc(C[NH2+][C@@H]2CCNC2=O)cc1 ZINC000390532283 539026107 /nfs/dbraw/zinc/02/61/07/539026107.db2.gz IXWROLWNHXPERK-LLVKDONJSA-N 1 0 220.272 0.673 10 0 BCAERO Cc1c(C[NH2+][C@H](CO)CC2CC2)cnn1C ZINC000390629744 539026645 /nfs/dbraw/zinc/02/66/45/539026645.db2.gz KTZXBVDFEDKBBF-LBPRGKRZSA-N 1 0 223.320 0.979 10 0 BCAERO CCC[NH2+][C@H](C(N)=O)[C@H](C)n1cccn1 ZINC000710719818 539028295 /nfs/dbraw/zinc/02/82/95/539028295.db2.gz PNFBXUOUIYLVPG-IUCAKERBSA-N 1 0 210.281 0.298 10 0 BCAERO CC1(C)CN(C(=O)[C@H]2CCOC2)C[C@H]1[NH3+] ZINC000388060862 539014564 /nfs/dbraw/zinc/01/45/64/539014564.db2.gz LYMQFEBKVNDGIZ-DTWKUNHWSA-N 1 0 212.293 0.219 10 0 BCAERO C[C@@H]1CCC[N@H+](CC[C@H]([NH3+])C(=O)[O-])[C@@H]1C ZINC000062530805 539016563 /nfs/dbraw/zinc/01/65/63/539016563.db2.gz ZZUVEDJTBZBBFV-BBBLOLIVSA-N 1 0 214.309 0.909 10 0 BCAERO CC[NH+]1CCN([C@@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000062948516 539017484 /nfs/dbraw/zinc/01/74/84/539017484.db2.gz KKOALWZCMUUWPV-NWDGAFQWSA-N 1 0 211.353 0.764 10 0 BCAERO C[C@@H]1OCC[C@@]1([NH2+]C1CCCC1)C(N)=O ZINC000134418869 342841618 /nfs/dbraw/zinc/84/16/18/342841618.db2.gz IYLQVGRUIMKPER-KWQFWETISA-N 1 0 212.293 0.552 10 0 BCAERO CCN1CC[C@@H]([NH2+]C[C@]2(OC)CCOC2)C1 ZINC000382041849 398300077 /nfs/dbraw/zinc/30/00/77/398300077.db2.gz ITCHAMWSEZMZDA-VXGBXAGGSA-N 1 0 228.336 0.476 10 0 BCAERO [NH3+][C@@H]1CCC[C@H]1[C@@H]1CCS(=O)(=O)C1 ZINC000042397590 361995146 /nfs/dbraw/zinc/99/51/46/361995146.db2.gz IQWHGPCSLAVTCG-HRDYMLBCSA-N 1 0 203.307 0.549 10 0 BCAERO CCCS(=O)(=O)[C@H]1CCCC[NH2+]C1 ZINC000233263770 342852710 /nfs/dbraw/zinc/85/27/10/342852710.db2.gz GTQRSVFYCYXIJN-VIFPVBQESA-N 1 0 205.323 0.953 10 0 BCAERO CC[C@H]([NH3+])c1nc2c(c(=O)[nH]1)CSC2 ZINC000134654154 342875216 /nfs/dbraw/zinc/87/52/16/342875216.db2.gz MKUVTEKCYPDJPW-LURJTMIESA-N 1 0 211.290 0.927 10 0 BCAERO CCS(=O)(=O)C/C=C1/CCC[NH2+]C1 ZINC000233807651 342884040 /nfs/dbraw/zinc/88/40/40/342884040.db2.gz YLNVCFKSIPKPHO-UITAMQMPSA-N 1 0 203.307 0.731 10 0 BCAERO CN(c1ncc(C[NH3+])s1)[C@H]1CCOC1 ZINC000134786501 342888336 /nfs/dbraw/zinc/88/83/36/342888336.db2.gz RWKQZBJLSLTPAB-ZETCQYMHSA-N 1 0 213.306 0.827 10 0 BCAERO CCCCOC[C@@H](O)C[NH2+]Cc1ccncn1 ZINC000232989593 342891361 /nfs/dbraw/zinc/89/13/61/342891361.db2.gz PUXSSVNZIPOSMM-LBPRGKRZSA-N 1 0 239.319 0.744 10 0 BCAERO COC(=O)[C@@H]1CCC[N@@H+]([C@@H]2CCCNC2=O)C1 ZINC000336084801 398315268 /nfs/dbraw/zinc/31/52/68/398315268.db2.gz BOZRSFQAWVLTCH-NXEZZACHSA-N 1 0 240.303 0.150 10 0 BCAERO CC(C)OC[C@H](O)C[NH2+]C[C@@H]1CCC[C@H](O)C1 ZINC000300697750 259327779 /nfs/dbraw/zinc/32/77/79/259327779.db2.gz FDXBDXDKTYBJPW-FRRDWIJNSA-N 1 0 245.363 0.913 10 0 BCAERO CCOCCC(=O)N1C[C@H]([NH3+])[C@@H](C)C1 ZINC000233716139 342911990 /nfs/dbraw/zinc/91/19/90/342911990.db2.gz SLKVZRZMUKAYBN-IUCAKERBSA-N 1 0 200.282 0.219 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N1CCOC[C@H]1C ZINC000036873300 342912017 /nfs/dbraw/zinc/91/20/17/342912017.db2.gz QJNDARATJLAHDN-BDAKNGLRSA-N 1 0 200.282 0.361 10 0 BCAERO CCOC[C@@H](NC(=O)[C@@H](C)[NH2+]C)C(C)C ZINC000233799975 342912406 /nfs/dbraw/zinc/91/24/06/342912406.db2.gz SUYXYTYYMMIXCJ-NXEZZACHSA-N 1 0 216.325 0.772 10 0 BCAERO NC(=O)[C@]1([NH3+])Cc2ccc(Cl)cc2C1 ZINC000134857317 342904420 /nfs/dbraw/zinc/90/44/20/342904420.db2.gz HYIGAZMPJMQXHJ-JTQLQIEISA-N 1 0 210.664 0.621 10 0 BCAERO CCOC(=O)C[C@H](O)C[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000233991968 342924333 /nfs/dbraw/zinc/92/43/33/342924333.db2.gz FKNDDROBPQUZJE-VWYCJHECSA-N 1 0 245.319 0.458 10 0 BCAERO CC(C)(C)[C@@H]1C[NH2+]CCN1S(C)(=O)=O ZINC000407357746 342926725 /nfs/dbraw/zinc/92/67/25/342926725.db2.gz PCANJJCRTSAOSY-QMMMGPOBSA-N 1 0 220.338 0.266 10 0 BCAERO CC[C@@H](O)C[N@@H+]1CCO[C@@H](Cn2cccn2)C1 ZINC000173694377 346872410 /nfs/dbraw/zinc/87/24/10/346872410.db2.gz DEQSBBKUSYOXKU-VXGBXAGGSA-N 1 0 239.319 0.355 10 0 BCAERO CCc1nnsc1C(=O)N1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000234177397 342917259 /nfs/dbraw/zinc/91/72/59/342917259.db2.gz NEHHUYSHEAJUGA-RQJHMYQMSA-N 1 0 240.332 0.520 10 0 BCAERO CS[C@@H]1C[NH2+]C[C@@H]1N1CCCOCC1 ZINC000134899053 342920824 /nfs/dbraw/zinc/92/08/24/342920824.db2.gz ULJLYWWLHKACAV-VHSXEESVSA-N 1 0 216.350 0.412 10 0 BCAERO COC[C@H](C)NC(=O)C1CCC([NH3+])CC1 ZINC000037481704 398328463 /nfs/dbraw/zinc/32/84/63/398328463.db2.gz FRKAGBVFZWBTDM-IDKOKCKLSA-N 1 0 214.309 0.655 10 0 BCAERO C[NH2+][C@H]1CCN(C[C@@H]2CCOCO2)C1 ZINC000150174078 349652404 /nfs/dbraw/zinc/65/24/04/349652404.db2.gz LQFGWUIVOUFBJV-UWVGGRQHSA-N 1 0 200.282 0.043 10 0 BCAERO C[NH2+][C@@H]1CCN(C[C@@H]2CCOCO2)C1 ZINC000150173833 349652434 /nfs/dbraw/zinc/65/24/34/349652434.db2.gz LQFGWUIVOUFBJV-ZJUUUORDSA-N 1 0 200.282 0.043 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)NCC[C@@H]1CCCO1 ZINC000038097056 398336000 /nfs/dbraw/zinc/33/60/00/398336000.db2.gz RILGRFDEBGFVBY-VHSXEESVSA-N 1 0 214.309 0.799 10 0 BCAERO CCCCN(C)C(=O)CN1CCC[NH2+]CC1 ZINC000061268996 398337259 /nfs/dbraw/zinc/33/72/59/398337259.db2.gz FVIIHFOOZPLPPX-UHFFFAOYSA-N 1 0 227.352 0.540 10 0 BCAERO COC[C@H]([NH3+])C(=O)NC1Cc2ccccc2C1 ZINC000234727225 342940582 /nfs/dbraw/zinc/94/05/82/342940582.db2.gz KQQANBPCXHOMCR-LBPRGKRZSA-N 1 0 234.299 0.244 10 0 BCAERO COC[C@H]([NH3+])C(=O)NC[C@H](C)c1nccs1 ZINC000234729444 342940624 /nfs/dbraw/zinc/94/06/24/342940624.db2.gz GKKPYWGWKHTGIG-YUMQZZPRSA-N 1 0 243.332 0.337 10 0 BCAERO COC[C@H]([NH3+])C(=O)NCc1ncc(C)s1 ZINC000234730132 342940647 /nfs/dbraw/zinc/94/06/47/342940647.db2.gz HBQCJCXHRBEBNN-ZETCQYMHSA-N 1 0 229.305 0.041 10 0 BCAERO CCN1CCO[C@H](C[NH2+][C@H]2CO[C@@H](C)C2)C1 ZINC000401782445 398333177 /nfs/dbraw/zinc/33/31/77/398333177.db2.gz ILIHFIYPWWCPAK-QJPTWQEYSA-N 1 0 228.336 0.474 10 0 BCAERO COc1ccc(C[C@H]2C[NH2+]CCN2)cc1 ZINC000071510121 259331908 /nfs/dbraw/zinc/33/19/08/259331908.db2.gz DINRDQCLKJBKSR-NSHDSACASA-N 1 0 206.289 0.799 10 0 BCAERO CS(=O)(=O)c1cc(C2([NH3+])CC2)ccn1 ZINC000116820609 342938121 /nfs/dbraw/zinc/93/81/21/342938121.db2.gz HERYOIBQKLKWQV-UHFFFAOYSA-N 1 0 212.274 0.433 10 0 BCAERO C[C@H]([NH3+])CC(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000037815469 398334436 /nfs/dbraw/zinc/33/44/36/398334436.db2.gz OAQIDLXIPLIIEF-GARJFASQSA-N 1 0 226.320 0.894 10 0 BCAERO O=C(C[NH2+]C1CC1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000037815457 398334505 /nfs/dbraw/zinc/33/45/05/398334505.db2.gz KYKZXWMDJMERGI-NWDGAFQWSA-N 1 0 238.331 0.908 10 0 BCAERO CC[C@H](C)[C@@H]([NH3+])C(=O)NCC[N@H+]1CC=CCC1 ZINC000392827706 398335726 /nfs/dbraw/zinc/33/57/26/398335726.db2.gz YKDYDIRRAHXDPJ-NWDGAFQWSA-N 1 0 239.363 0.738 10 0 BCAERO OCC[C@@H]1CC[N@H+](CCc2cnccn2)C1 ZINC000402937424 398341389 /nfs/dbraw/zinc/34/13/89/398341389.db2.gz VXVKXACSMDAXRY-NSHDSACASA-N 1 0 221.304 0.723 10 0 BCAERO Cc1ncc(C[NH2+][C@@H]2CCCN(CCO)C2)o1 ZINC000628212876 398343938 /nfs/dbraw/zinc/34/39/38/398343938.db2.gz KUTNCNJSWSKWAC-LLVKDONJSA-N 1 0 239.319 0.529 10 0 BCAERO Nc1ncccc1C(=O)[C@H]1CCCC[NH2+]1 ZINC000167707661 346900909 /nfs/dbraw/zinc/90/09/09/346900909.db2.gz GYRWUQMJCMVNIY-SECBINFHSA-N 1 0 205.261 0.989 10 0 BCAERO CCc1cc(N2CCC[C@](O)(C(N)=O)C2)cc[nH+]1 ZINC000307791715 529534371 /nfs/dbraw/zinc/53/43/71/529534371.db2.gz URXXYJZORMWQGK-CYBMUJFWSA-N 1 0 249.314 0.461 10 0 BCAERO C(CN1CCOCC1)[NH2+][C@H]1CCSC1 ZINC000019953943 342964319 /nfs/dbraw/zinc/96/43/19/342964319.db2.gz LOXHIXLOWSARCA-JTQLQIEISA-N 1 0 216.350 0.414 10 0 BCAERO COC(C)(C)C[C@@H](C)[NH2+]CCOCCO ZINC000020524757 342989987 /nfs/dbraw/zinc/98/99/87/342989987.db2.gz QRCIPRVLWCZAED-SNVBAGLBSA-N 1 0 219.325 0.789 10 0 BCAERO C[C@H](C(=O)N1C[C@@H](C)[C@@H]([NH3+])C1)n1cccn1 ZINC000235327838 343010277 /nfs/dbraw/zinc/01/02/77/343010277.db2.gz CNJHPZZOCFRWBL-BBBLOLIVSA-N 1 0 222.292 0.250 10 0 BCAERO C[C@@H]1CN(C(=O)[C@@H]2CCCCO2)C[C@@H]1[NH3+] ZINC000235329994 343010352 /nfs/dbraw/zinc/01/03/52/343010352.db2.gz BABJFIMDLIFCAX-UTLUCORTSA-N 1 0 212.293 0.361 10 0 BCAERO Cc1c(C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)cnn1C ZINC000235322734 343010451 /nfs/dbraw/zinc/01/04/51/343010451.db2.gz RCEXBJDPLNZRJT-GMSGAONNSA-N 1 0 222.292 0.148 10 0 BCAERO Cc1cnn(CCNC(=O)[C@H](C)[C@H](C)[NH3+])c1 ZINC000235483349 343039658 /nfs/dbraw/zinc/03/96/58/343039658.db2.gz KFAFXWNYPHMUSG-ZJUUUORDSA-N 1 0 224.308 0.291 10 0 BCAERO [NH3+][C@H]1CCN(c2nccn3ccnc23)C1 ZINC000213685958 344025658 /nfs/dbraw/zinc/02/56/58/344025658.db2.gz ORAXRJZMNYAONE-QMMMGPOBSA-N 1 0 203.249 0.267 10 0 BCAERO C[C@H]1CN(C(=O)CCc2cccnc2)C[C@@H]1[NH3+] ZINC000235656894 343054837 /nfs/dbraw/zinc/05/48/37/343054837.db2.gz BMYAJVAKVTVXHV-JQWIXIFHSA-N 1 0 233.315 0.820 10 0 BCAERO C[C@H]1CN(C(=O)c2ccc[nH]c2=O)C[C@H]1[NH3+] ZINC000235669634 343055248 /nfs/dbraw/zinc/05/52/48/343055248.db2.gz DLQNUGVBZCLUCA-IONNQARKSA-N 1 0 221.260 0.206 10 0 BCAERO Cc1cc([C@H]2OC[C@@H](C[NH3+])O2)sn1 ZINC000404423612 343055277 /nfs/dbraw/zinc/05/52/77/343055277.db2.gz VPOVMDGHXKVGJT-SVRRBLITSA-N 1 0 200.263 0.824 10 0 BCAERO CCS(=O)(=O)N1CCC[C@@H](C)[C@@H]1[NH3+] ZINC000233837110 343073677 /nfs/dbraw/zinc/07/36/77/343073677.db2.gz YADAHGIZLHPOIT-HTQZYQBOSA-N 1 0 206.311 0.353 10 0 BCAERO Cc1cnn(CCNC(=O)C2([NH3+])CCC2)c1 ZINC000235936420 343067389 /nfs/dbraw/zinc/06/73/89/343067389.db2.gz MHJABVUONCGPSN-UHFFFAOYSA-N 1 0 222.292 0.189 10 0 BCAERO C[C@H](O)CNC(=O)[C@]1(C)CCC[C@@H]1[NH3+] ZINC000134929789 343079147 /nfs/dbraw/zinc/07/91/47/343079147.db2.gz QPLFHOJLYVBVDD-OYNCUSHFSA-N 1 0 200.282 0.001 10 0 BCAERO CC[NH2+]C[C@H](O)CN(C)C(=O)OC(C)(C)C ZINC000584880536 343081168 /nfs/dbraw/zinc/08/11/68/343081168.db2.gz CQXMKIUEOYFKCI-VIFPVBQESA-N 1 0 232.324 0.824 10 0 BCAERO Cn1cncc1[C@@H]([NH3+])Cc1csnn1 ZINC000306665222 362021932 /nfs/dbraw/zinc/02/19/32/362021932.db2.gz SZIUMKJIXGOCMO-ZETCQYMHSA-N 1 0 209.278 0.514 10 0 BCAERO C[NH2+]C[C@@H](O)CN(C)C(=O)C1CCCCC1 ZINC000584881153 343081998 /nfs/dbraw/zinc/08/19/98/343081998.db2.gz XAVVNFQKNXZUGW-LLVKDONJSA-N 1 0 228.336 0.605 10 0 BCAERO CCN(C[C@@H](O)C[NH2+]C)C(=O)OC(C)(C)C ZINC000584881019 343082042 /nfs/dbraw/zinc/08/20/42/343082042.db2.gz UWOOZVFXVDRVBH-VIFPVBQESA-N 1 0 232.324 0.824 10 0 BCAERO Clc1cnn(CCN2CC[NH2+]CC2)c1 ZINC000043500068 343092179 /nfs/dbraw/zinc/09/21/79/343092179.db2.gz FNXFUSAOQAOABS-UHFFFAOYSA-N 1 0 214.700 0.442 10 0 BCAERO CC[NH2+]C[C@@H](O)C[C@@](O)(CC)C1CC1 ZINC000584883078 343086025 /nfs/dbraw/zinc/08/60/25/343086025.db2.gz GHXFCWPKXGDWGZ-QWRGUYRKSA-N 1 0 201.310 0.898 10 0 BCAERO CC[NH2+]C[C@H](O)C[C@](C)(O)CC1CC1 ZINC000584883445 343086253 /nfs/dbraw/zinc/08/62/53/343086253.db2.gz NVFSMOVIMLQLKD-GHMZBOCLSA-N 1 0 201.310 0.898 10 0 BCAERO CC(C)(C)OC(=O)C[C@]1(O)CCC[NH2+]C1 ZINC000258874544 343077130 /nfs/dbraw/zinc/07/71/30/343077130.db2.gz MDYKSKLOXLEVGC-LLVKDONJSA-N 1 0 215.293 0.833 10 0 BCAERO O=C1C[C@H](c2ccccc2)N1N1CC[NH2+]CC1 ZINC000141960787 343102633 /nfs/dbraw/zinc/10/26/33/343102633.db2.gz HFEZCYSJQGAXAY-GFCCVEGCSA-N 1 0 231.299 0.780 10 0 BCAERO CC(C)C[C@H](CO)[NH2+]C[C@H](O)C(F)(F)F ZINC000082680904 362100021 /nfs/dbraw/zinc/10/00/21/362100021.db2.gz GSJIIHVYQFWXNT-SFYZADRCSA-N 1 0 229.242 0.906 10 0 BCAERO C#CCCCC[NH2+][C@]1(C)CCC(=O)NC1=O ZINC000142693980 343112576 /nfs/dbraw/zinc/11/25/76/343112576.db2.gz JBFOTLJNCGRSPA-GFCCVEGCSA-N 1 0 222.288 0.575 10 0 BCAERO C[C@@H]1C(=O)NCCC[N@H+]1C[C@H](O)c1ccccc1 ZINC000189289079 136270716 /nfs/dbraw/zinc/27/07/16/136270716.db2.gz YJEARSBHBNSERI-YPMHNXCESA-N 1 0 248.326 0.930 10 0 BCAERO CO[C@H]1C[NH2+][C@@H](C(=O)NC2C(C)(C)C2(C)C)C1 ZINC000092818333 343148478 /nfs/dbraw/zinc/14/84/78/343148478.db2.gz UFYGOCVKUGNEFR-RKDXNWHRSA-N 1 0 240.347 0.914 10 0 BCAERO NC(=O)c1ccc(N2CCC(CC[NH3+])CC2)nn1 ZINC000095013340 343154617 /nfs/dbraw/zinc/15/46/17/343154617.db2.gz SHBOEWTVGUZFBE-UHFFFAOYSA-N 1 0 249.318 0.141 10 0 BCAERO c1cnc2nc(N3CC[C@H]4C[NH2+]C[C@H]43)ccc2n1 ZINC000094726242 343156757 /nfs/dbraw/zinc/15/67/57/343156757.db2.gz WZGLIFBZWUYUCZ-GXSJLCMTSA-N 1 0 241.298 0.823 10 0 BCAERO CN(c1ccc2nccnc2n1)[C@@H]1CC[NH2+]C1 ZINC000094726397 343157073 /nfs/dbraw/zinc/15/70/73/343157073.db2.gz YCIZGOQMFLVEML-SECBINFHSA-N 1 0 229.287 0.823 10 0 BCAERO C[NH+](C)[C@H]1CCN(C(=O)N2CCOCC2)C1 ZINC000122401329 343159536 /nfs/dbraw/zinc/15/95/36/343159536.db2.gz RXXRXBHGMMPNRS-JTQLQIEISA-N 1 0 227.308 0.075 10 0 BCAERO COC(=O)c1ccc(N2CC[NH2+][C@H](C)C2)nc1C ZINC000122689251 343161075 /nfs/dbraw/zinc/16/10/75/343161075.db2.gz CMKOCXMKZCZTHY-SECBINFHSA-N 1 0 249.314 0.975 10 0 BCAERO [NH3+]C1(C(=O)N[C@H]2CC=CCC2)CCOCC1 ZINC000149743047 343196697 /nfs/dbraw/zinc/19/66/97/343196697.db2.gz UXGMRAFCPUXDTE-JTQLQIEISA-N 1 0 224.304 0.719 10 0 BCAERO C[NH+](C)[C@@H]1CCN(C(=O)c2ccc(N)cn2)C1 ZINC000156867527 343199328 /nfs/dbraw/zinc/19/93/28/343199328.db2.gz LQVWLBAJKLYBII-SNVBAGLBSA-N 1 0 234.303 0.440 10 0 BCAERO CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)OC)C1 ZINC000168620550 259357114 /nfs/dbraw/zinc/35/71/14/259357114.db2.gz CGZFAGTWAXMQPC-ZJUUUORDSA-N 1 0 214.309 0.622 10 0 BCAERO CC1(O)CC[NH+]([C@H]2CCC[NH2+]CC2)CC1 ZINC000168812986 343210526 /nfs/dbraw/zinc/21/05/26/343210526.db2.gz XDSBXZKKPUODQS-NSHDSACASA-N 1 0 212.337 0.975 10 0 BCAERO c1cnc(-c2ncc3c(n2)CC[NH2+]C3)nc1 ZINC000132197982 343187196 /nfs/dbraw/zinc/18/71/96/343187196.db2.gz UFKPNWYLFWPKSF-UHFFFAOYSA-N 1 0 213.244 0.579 10 0 BCAERO CC[C@H]1CN(C(=O)[C@@H](C)[NH2+]C)CCS1 ZINC000133008954 343189286 /nfs/dbraw/zinc/18/92/86/343189286.db2.gz BODJBSAZDDSYHY-BDAKNGLRSA-N 1 0 216.350 0.948 10 0 BCAERO O=C(NCC[NH2+][C@@H]1CCCC[C@H]1O)C1CC1 ZINC000135156343 343193080 /nfs/dbraw/zinc/19/30/80/343193080.db2.gz ALQYDAMLAYNBBV-GHMZBOCLSA-N 1 0 226.320 0.406 10 0 BCAERO CCOC(=O)c1cnc(NC2C[NH2+]C2)nc1C ZINC000134317546 343194356 /nfs/dbraw/zinc/19/43/56/343194356.db2.gz GTULZDSBKAQTAR-UHFFFAOYSA-N 1 0 236.275 0.345 10 0 BCAERO CN(C(=O)C[C@@H]1CCC[NH2+]C1)[C@@H]1CCOC1 ZINC000134690486 343194685 /nfs/dbraw/zinc/19/46/85/343194685.db2.gz OIKYDQHONJVAGC-WDEREUQCSA-N 1 0 226.320 0.623 10 0 BCAERO O=C(NC[C@H]1CC[NH2+]C1)c1cccnc1 ZINC000087654616 136282120 /nfs/dbraw/zinc/28/21/20/136282120.db2.gz GXMDYOTWYGJFEG-VIFPVBQESA-N 1 0 205.261 0.421 10 0 BCAERO CC(C)(C)CS(=O)(=O)NC[C@H]1CC[NH2+]C1 ZINC000087655182 136282149 /nfs/dbraw/zinc/28/21/49/136282149.db2.gz ULQDWXURSQCADT-VIFPVBQESA-N 1 0 234.365 0.561 10 0 BCAERO COC[C@H]([NH3+])C(=O)NCCC1CCCC1 ZINC000088003173 136282511 /nfs/dbraw/zinc/28/25/11/136282511.db2.gz YYFLHFGWJCZHHN-JTQLQIEISA-N 1 0 214.309 0.657 10 0 BCAERO COC[C@@H]([NH3+])C(=O)NC1(C)CCCCC1 ZINC000088003949 136282752 /nfs/dbraw/zinc/28/27/52/136282752.db2.gz GTTILYWZBJUORZ-SECBINFHSA-N 1 0 214.309 0.799 10 0 BCAERO COCC[NH2+]CCNc1nccc(OC)n1 ZINC000215522838 136277718 /nfs/dbraw/zinc/27/77/18/136277718.db2.gz BZYSMJMLDXRXOX-UHFFFAOYSA-N 1 0 226.280 0.133 10 0 BCAERO O=C(NCC[NH2+]CCO)OCc1ccccc1 ZINC000034581922 343275414 /nfs/dbraw/zinc/27/54/14/343275414.db2.gz FSUJQLPVNJKXBI-UHFFFAOYSA-N 1 0 238.287 0.495 10 0 BCAERO CCC1(O)CCN(C(=O)[C@@]2(C)CCC[NH2+]2)CC1 ZINC000569820731 323041738 /nfs/dbraw/zinc/04/17/38/323041738.db2.gz VFCGCOQJASJYHL-GFCCVEGCSA-N 1 0 240.347 0.892 10 0 BCAERO CC(C)(C)C[C@H](CO)N[C@H]1CC[NH2+]C1 ZINC000393507151 259357493 /nfs/dbraw/zinc/35/74/93/259357493.db2.gz IDFBXVXVFQZEAF-VHSXEESVSA-N 1 0 200.326 0.735 10 0 BCAERO C[C@@H]([NH3+])CCC(=O)N1CCOC[C@H]1C ZINC000069839201 343292360 /nfs/dbraw/zinc/29/23/60/343292360.db2.gz ZFFOVNTYPMRHSP-RKDXNWHRSA-N 1 0 200.282 0.361 10 0 BCAERO COC[C@H](C)N(C)C(=O)[C@H](C)[C@@H](C)[NH3+] ZINC000156615010 133470708 /nfs/dbraw/zinc/47/07/08/133470708.db2.gz VTRMMYTUGSOBCX-DJLDLDEBSA-N 1 0 202.298 0.463 10 0 BCAERO C[C@]1(c2nccs2)OC[C@H](C[NH3+])O1 ZINC000134993859 343366152 /nfs/dbraw/zinc/36/61/52/343366152.db2.gz KZKCBPYOTOACCW-XPUUQOCRSA-N 1 0 200.263 0.690 10 0 BCAERO CC(C)[N@@H+]1CCO[C@@H](Cn2cccn2)C1 ZINC000070941861 343339135 /nfs/dbraw/zinc/33/91/35/343339135.db2.gz ZKNDTWJXYGGGQC-LLVKDONJSA-N 1 0 209.293 0.992 10 0 BCAERO COC(C)(C)C[C@H](C)[NH2+]CC(=O)N(C)C ZINC000037225245 343340569 /nfs/dbraw/zinc/34/05/69/343340569.db2.gz KFGXGRUNCAZPCM-VIFPVBQESA-N 1 0 216.325 0.868 10 0 BCAERO CCCNC(=O)CNC(=O)C1CCC([NH3+])CC1 ZINC000037626218 343350403 /nfs/dbraw/zinc/35/04/03/343350403.db2.gz FWPAQXPQZDOMQD-UHFFFAOYSA-N 1 0 241.335 0.146 10 0 BCAERO C[C@@H](C(=O)N[C@@H]1CCCOC1)[C@H](C)[NH3+] ZINC000165450986 343350787 /nfs/dbraw/zinc/35/07/87/343350787.db2.gz MMQZNELGIROFEA-HRDYMLBCSA-N 1 0 200.282 0.265 10 0 BCAERO COc1cc(CNCC[NH3+])cc(OC)c1OC ZINC000037712262 343352387 /nfs/dbraw/zinc/35/23/87/343352387.db2.gz YTPIXESNGMGPEO-UHFFFAOYSA-N 1 0 240.303 0.761 10 0 BCAERO [NH3+][C@]1(O)C(c2ccccc2)=CC=C[C@@H]1O ZINC000039096269 343382540 /nfs/dbraw/zinc/38/25/40/343382540.db2.gz JVZLGWMVLXFEQM-RYUDHWBXSA-N 1 0 203.241 0.648 10 0 BCAERO CO[C@H](C)CCC(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000310310873 343424061 /nfs/dbraw/zinc/42/40/61/343424061.db2.gz DRMXMLNIFDSBKB-WRWGMCAJSA-N 1 0 240.347 0.997 10 0 BCAERO CO[C@H](C)CCC(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000310310872 343424118 /nfs/dbraw/zinc/42/41/18/343424118.db2.gz DRMXMLNIFDSBKB-RHYQMDGZSA-N 1 0 240.347 0.997 10 0 BCAERO CC(C)(C)N1CC[NH+](CC(N)=S)CC1 ZINC000042462149 343439686 /nfs/dbraw/zinc/43/96/86/343439686.db2.gz KERBCDUMFMFFRB-UHFFFAOYSA-N 1 0 215.366 0.689 10 0 BCAERO [NH3+]C[C@@H]1CCCN1CC(=O)N1CCCC1 ZINC000082595158 343450573 /nfs/dbraw/zinc/45/05/73/343450573.db2.gz IBBCFKLAYMRVAG-JTQLQIEISA-N 1 0 211.309 0.032 10 0 BCAERO [NH3+]C[C@@H]1CCCN1C(=O)[C@@H]1CCCOC1 ZINC000082590092 343453897 /nfs/dbraw/zinc/45/38/97/343453897.db2.gz CIPSQCGDVFTLRJ-ZJUUUORDSA-N 1 0 212.293 0.363 10 0 BCAERO Cn1nccc1NC(=O)c1ccnc(C[NH3+])c1 ZINC000130225358 136372622 /nfs/dbraw/zinc/37/26/22/136372622.db2.gz POBCHTMCNCQUHP-UHFFFAOYSA-N 1 0 231.259 0.526 10 0 BCAERO Cc1nccc(CNC[C@H](C)[NH+](C)C)n1 ZINC000054790795 136373247 /nfs/dbraw/zinc/37/32/47/136373247.db2.gz WVVYERXURBTARI-VIFPVBQESA-N 1 0 208.309 0.825 10 0 BCAERO CC1(C)CN(C(=O)[C@@H]2CCCO2)CC[C@H]1[NH3+] ZINC000258994865 136374119 /nfs/dbraw/zinc/37/41/19/136374119.db2.gz BPNZVVGPKSUDTA-VHSXEESVSA-N 1 0 226.320 0.751 10 0 BCAERO CSCc1nc([C@@H]2C[NH2+]CCN2C)no1 ZINC000261542281 136374431 /nfs/dbraw/zinc/37/44/31/136374431.db2.gz GMRXNGDURWYLKA-ZETCQYMHSA-N 1 0 228.321 0.509 10 0 BCAERO CSCC[C@@H]([NH3+])C(=O)NC[C@@H](O)C(C)C ZINC000157726365 133490882 /nfs/dbraw/zinc/49/08/82/133490882.db2.gz NMHHZMMLNPRFSL-RKDXNWHRSA-N 1 0 234.365 0.200 10 0 BCAERO CCn1ncnc1CN1CCC[C@H]1C[NH3+] ZINC000083978787 343512122 /nfs/dbraw/zinc/51/21/22/343512122.db2.gz GHLSCLBVWOHRKG-VIFPVBQESA-N 1 0 209.297 0.221 10 0 BCAERO [NH3+]CCN1C[C@@H](c2cn[nH]n2)Cc2ccccc21 ZINC000616671190 343534965 /nfs/dbraw/zinc/53/49/65/343534965.db2.gz IKLCHRCTMNOTCP-NSHDSACASA-N 1 0 243.314 0.910 10 0 BCAERO OCC[N@@H+]1CCCO[C@H](c2ccncc2)C1 ZINC000616681754 343536419 /nfs/dbraw/zinc/53/64/19/343536419.db2.gz VNEPARHPKCRSHY-LBPRGKRZSA-N 1 0 222.288 0.837 10 0 BCAERO O[C@@H]1CCC[C@H]1[N@@H+]1C[C@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000398715408 488222349 /nfs/dbraw/zinc/22/23/49/488222349.db2.gz FLIFSCDFJMSBSR-SYLRKERUSA-N 1 0 225.332 0.993 10 0 BCAERO C[C@H]1C[C@H](CO)C[N@@H+]([C@@H]2CCC[C@H]2O)C1 ZINC000398685412 488222371 /nfs/dbraw/zinc/22/23/71/488222371.db2.gz HKXNNAYATBWXQD-NNYUYHANSA-N 1 0 213.321 0.850 10 0 BCAERO C[C@H]([NH2+][C@H]1CCOC[C@H]1O)c1cncs1 ZINC000624237227 343583119 /nfs/dbraw/zinc/58/31/19/343583119.db2.gz SBWAMMHWNLYJMN-XHNCKOQMSA-N 1 0 228.317 0.944 10 0 BCAERO COC1CCC([NH2+][C@H]2CCOC[C@@H]2O)CC1 ZINC000624238674 343586032 /nfs/dbraw/zinc/58/60/32/343586032.db2.gz WFLMRJUSTVWXLF-QQFIATSDSA-N 1 0 229.320 0.683 10 0 BCAERO OC1CCN(CC[NH2+][C@@H]2CCCC[C@H]2O)CC1 ZINC000321830676 343594891 /nfs/dbraw/zinc/59/48/91/343594891.db2.gz PZRMWLSAQNMTDU-CHWSQXEVSA-N 1 0 242.363 0.336 10 0 BCAERO Cc1cc(N[C@H]2CCS(=O)(=O)C2)cc[nH+]1 ZINC000086113920 343610677 /nfs/dbraw/zinc/61/06/77/343610677.db2.gz ZDSTZWGUCVBKOG-JTQLQIEISA-N 1 0 226.301 0.989 10 0 BCAERO [NH3+][C@@H]1CCN(CN2C(=O)c3ccccc3C2=O)C1 ZINC000050243529 343612103 /nfs/dbraw/zinc/61/21/03/343612103.db2.gz XIGDFNMGXMBGFS-SECBINFHSA-N 1 0 245.282 0.273 10 0 BCAERO C[C@H](C[NH3+])Nc1ccc2nccnc2n1 ZINC000087201202 343640217 /nfs/dbraw/zinc/64/02/17/343640217.db2.gz PJSDWHUOMSFAKP-SSDOTTSWSA-N 1 0 203.249 0.784 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)O1 ZINC000178231545 346950481 /nfs/dbraw/zinc/95/04/81/346950481.db2.gz RETKPYDKEFSNRG-IJLUTSLNSA-N 1 0 238.331 0.861 10 0 BCAERO C[C@@H]1CN2C(=[NH+]CC[C@H]2[C@H]2CCOC2)N1 ZINC000300016738 537802175 /nfs/dbraw/zinc/80/21/75/537802175.db2.gz OFKXMJFBNSMUAL-UTLUCORTSA-N 1 0 209.293 0.445 10 0 BCAERO CCCCNC(=O)CC[NH2+][C@@H](C)COC ZINC000380013653 343669569 /nfs/dbraw/zinc/66/95/69/343669569.db2.gz SMDALQCXQBTVGD-JTQLQIEISA-N 1 0 216.325 0.917 10 0 BCAERO C[C@@H](NC(=O)C1([NH3+])CCC1)[C@@H]1CCCO1 ZINC000088050334 343698172 /nfs/dbraw/zinc/69/81/72/343698172.db2.gz BZMWXKNQNSWMTA-BDAKNGLRSA-N 1 0 212.293 0.552 10 0 BCAERO CCOC(=O)C[C@H]([NH3+])[C@@H]1CCCOC1 ZINC000082584642 537804615 /nfs/dbraw/zinc/80/46/15/537804615.db2.gz KJPSZCLGCXVTRS-BDAKNGLRSA-N 1 0 201.266 0.694 10 0 BCAERO COC[C@@H](CO)[NH2+]CCNC(=O)OC(C)(C)C ZINC000234864439 343680576 /nfs/dbraw/zinc/68/05/76/343680576.db2.gz PGVGUUQZPRWGBF-SECBINFHSA-N 1 0 248.323 0.108 10 0 BCAERO CCOC(=O)[C@@H]1CNC2=[NH+][C@H](C)CN2[C@H]1C ZINC000300017219 537802592 /nfs/dbraw/zinc/80/25/92/537802592.db2.gz QFWFWBZXAXJHGP-HRDYMLBCSA-N 1 0 225.292 0.218 10 0 BCAERO C[C@@H]1CC[C@H]([C@H]2CC[NH+]=C3NCCN32)O1 ZINC000300014634 537802753 /nfs/dbraw/zinc/80/27/53/537802753.db2.gz BBOXDGMWNISKHI-OPRDCNLKSA-N 1 0 209.293 0.587 10 0 BCAERO COC[C@@H]([NH3+])C(=O)Nc1cccc(C)n1 ZINC000088002516 343689695 /nfs/dbraw/zinc/68/96/95/343689695.db2.gz YVQXOEVQQFOPOY-MRVPVSSYSA-N 1 0 209.249 0.302 10 0 BCAERO COC[C@@H]([NH3+])C(=O)NC(C)(C)C(C)C ZINC000380293598 343720944 /nfs/dbraw/zinc/72/09/44/343720944.db2.gz CCGISQLPABYVQR-MRVPVSSYSA-N 1 0 202.298 0.511 10 0 BCAERO CO[C@@H]1C[C@H](CO)[N@H+](CC[C@H]2CCOC2)C1 ZINC000344056109 343757017 /nfs/dbraw/zinc/75/70/17/343757017.db2.gz IFEIKUREVGXXQP-QJPTWQEYSA-N 1 0 229.320 0.495 10 0 BCAERO CCN1C(=O)c2ccc(C[NH3+])cc2C1=O ZINC000082639453 537812747 /nfs/dbraw/zinc/81/27/47/537812747.db2.gz HEVBNHOAPMNMOJ-UHFFFAOYSA-N 1 0 204.229 0.761 10 0 BCAERO CCCC(=[NH2+])N[C@H]1CCS(=O)(=O)C1 ZINC000062988974 349868336 /nfs/dbraw/zinc/86/83/36/349868336.db2.gz FKEATOSFEVXDGO-ZETCQYMHSA-N 1 0 204.295 0.540 10 0 BCAERO [NH3+][C@H]1CCC2(C[C@@H]1n1cncn1)OCCO2 ZINC000023071975 344038890 /nfs/dbraw/zinc/03/88/90/344038890.db2.gz QYKVNQUSVUUAKR-IUCAKERBSA-N 1 0 224.264 0.074 10 0 BCAERO Cc1ccc(CNC(=O)[C@@H]2C[NH2+]C[C@@H]2C)n1C ZINC000104213074 178595803 /nfs/dbraw/zinc/59/58/03/178595803.db2.gz NXJNULPDCZQAJM-JOYOIKCWSA-N 1 0 235.331 0.805 10 0 BCAERO Cc1ccc(CNC(=O)[C@@H]2CC[C@H](C[NH3+])O2)cn1 ZINC000094571644 178595914 /nfs/dbraw/zinc/59/59/14/178595914.db2.gz JRAQURMPVODDSR-NEPJUHHUSA-N 1 0 249.314 0.513 10 0 BCAERO CC[C@@H](O)C[NH+]1CCN(Cc2c[nH]cn2)CC1 ZINC000179560219 346988815 /nfs/dbraw/zinc/98/88/15/346988815.db2.gz IREUJKZPULMREE-GFCCVEGCSA-N 1 0 238.335 0.298 10 0 BCAERO CS[C@@H]1CCC[C@H]1NC(=O)C1([NH3+])CC1 ZINC000235241291 343880105 /nfs/dbraw/zinc/88/01/05/343880105.db2.gz INAUEYFPBUJMTB-HTQZYQBOSA-N 1 0 214.334 0.878 10 0 BCAERO Cc1nc([C@@H]2OC[C@H](C[NH3+])O2)cs1 ZINC000127170493 343885530 /nfs/dbraw/zinc/88/55/30/343885530.db2.gz RWHGKYPYMBNJPE-POYBYMJQSA-N 1 0 200.263 0.824 10 0 BCAERO Cn1ncc2c1ncnc2NCC[NH2+]C1CC1 ZINC000054267812 343884520 /nfs/dbraw/zinc/88/45/20/343884520.db2.gz WXTWZDQZCAUVGZ-UHFFFAOYSA-N 1 0 232.291 0.527 10 0 BCAERO Cc1cc(NCC[NH2+]C2CC2)n2ncnc2n1 ZINC000054267834 343884571 /nfs/dbraw/zinc/88/45/71/343884571.db2.gz JBWWLIQQTMFRKQ-UHFFFAOYSA-N 1 0 232.291 0.597 10 0 BCAERO [NH3+][C@H](Cc1ccccc1)C(=O)N[C@H]1CCCOC1 ZINC000109549002 537829680 /nfs/dbraw/zinc/82/96/80/537829680.db2.gz JGQCTZFVZOSWGQ-QWHCGFSZSA-N 1 0 248.326 0.852 10 0 BCAERO Cn1ccc(NC(=O)C[C@H]2CCC[NH2+]C2)n1 ZINC000054307486 488244345 /nfs/dbraw/zinc/24/43/45/488244345.db2.gz GARANMLXIRNNFR-SECBINFHSA-N 1 0 222.292 0.748 10 0 BCAERO CC[C@@H](O)C[N@@H+]1CCN(CCOC)[C@H](C)C1 ZINC000106386518 347015247 /nfs/dbraw/zinc/01/52/47/347015247.db2.gz MFWXAPNWHSHCGT-VXGBXAGGSA-N 1 0 230.352 0.410 10 0 BCAERO C[Si](C)(C)C[N@@H+]1CCNC[C@H](O)C1 ZINC000401864347 343916128 /nfs/dbraw/zinc/91/61/28/343916128.db2.gz RTGIDZUSFDINHM-VIFPVBQESA-N 1 0 202.374 0.130 10 0 BCAERO CC1(C[NH2+][C@H]2CCCN(CCO)C2)COC1 ZINC000393744857 343922681 /nfs/dbraw/zinc/92/26/81/343922681.db2.gz FKYXXTODPDSLRG-NSHDSACASA-N 1 0 228.336 0.069 10 0 BCAERO COCC[NH2+]Cc1c(C)nn(C)c1N(C)C ZINC000060394376 343926685 /nfs/dbraw/zinc/92/66/85/343926685.db2.gz ITBDXDFMRNQELQ-UHFFFAOYSA-N 1 0 226.324 0.531 10 0 BCAERO CC(C)(C)[C@H](O)C[NH2+]CC[C@@H](O)C(F)F ZINC000634726212 343951434 /nfs/dbraw/zinc/95/14/34/343951434.db2.gz NMRXGBBYHALBBY-HTQZYQBOSA-N 1 0 225.279 0.999 10 0 BCAERO CO[C@@H]1CCC[C@H](OC[C@@H]2C[NH2+]CCO2)C1 ZINC000070834211 343956372 /nfs/dbraw/zinc/95/63/72/343956372.db2.gz AGFPYZZBBMOBMQ-WOPDTQHZSA-N 1 0 229.320 0.949 10 0 BCAERO C[NH2+][C@@H](C)C(=O)N[C@H]1CCCC[C@H]1O ZINC000307639122 343957858 /nfs/dbraw/zinc/95/78/58/343957858.db2.gz ZMFKDVDTYBIDKY-XHNCKOQMSA-N 1 0 200.282 0.014 10 0 BCAERO [NH3+]Cc1cn(C[C@@H](O)C2CCCCC2)nn1 ZINC000641224648 362283433 /nfs/dbraw/zinc/28/34/33/362283433.db2.gz YQTYRCLRLHEFND-LLVKDONJSA-N 1 0 224.308 0.678 10 0 BCAERO CC(C)(C)OC(=O)N1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC000051971149 259372493 /nfs/dbraw/zinc/37/24/93/259372493.db2.gz FHFUKPWBTBBQNW-ZJUUUORDSA-N 1 0 242.319 0.984 10 0 BCAERO [NH3+]CCC(=O)NC[C@@H]1CCCC[C@H]1O ZINC000082995144 133514179 /nfs/dbraw/zinc/51/41/79/133514179.db2.gz ZHHPYPTZNWPHHV-DTWKUNHWSA-N 1 0 200.282 0.003 10 0 BCAERO C[C@@H](C[N@@H+]1CCC[C@@](C)(O)C1)C(N)=S ZINC000157435995 344102285 /nfs/dbraw/zinc/10/22/85/344102285.db2.gz CEMWGPSMYUYSJL-WCBMZHEXSA-N 1 0 216.350 0.755 10 0 BCAERO CC[C@@H]1CC[NH2+]C[C@H]1NC(=O)CC(=O)OC ZINC000616568676 344166830 /nfs/dbraw/zinc/16/68/30/344166830.db2.gz CLTMODNNCZQGJM-RKDXNWHRSA-N 1 0 228.292 0.054 10 0 BCAERO [NH3+]C1CN(c2cc(Cl)nnc2Cl)C1 ZINC000127313773 344132392 /nfs/dbraw/zinc/13/23/92/344132392.db2.gz RWTOTJCROZAURN-UHFFFAOYSA-N 1 0 219.075 0.931 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N1CCCC(F)(F)CC1 ZINC000634738080 344142798 /nfs/dbraw/zinc/14/27/98/344142798.db2.gz HICWPGRVYUEXCK-MRVPVSSYSA-N 1 0 236.262 0.608 10 0 BCAERO Cc1ccc(OC[C@@H]2C[NH2+]CCO2)cn1 ZINC000167354476 344142961 /nfs/dbraw/zinc/14/29/61/344142961.db2.gz JZLHMVWIPPKTKN-NSHDSACASA-N 1 0 208.261 0.757 10 0 BCAERO CCCN(CC(=O)OC)C[C@@H]1CCC[N@@H+]1C ZINC000395285822 344144099 /nfs/dbraw/zinc/14/40/99/344144099.db2.gz WHQGRYGEMITOJH-NSHDSACASA-N 1 0 228.336 0.966 10 0 BCAERO O=C(N[C@@H]1CCSC1)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634754780 344210320 /nfs/dbraw/zinc/21/03/20/344210320.db2.gz KRHLYVNEZKTFEO-UMNHJUIQSA-N 1 0 240.372 0.998 10 0 BCAERO CC(C)NC(=O)N1C[C@@H](C)[C@@H]([NH+](C)C)C1 ZINC000130381309 344221063 /nfs/dbraw/zinc/22/10/63/344221063.db2.gz RXPNRTCZRAGMID-ZJUUUORDSA-N 1 0 213.325 0.986 10 0 BCAERO CCN(CC[NH3+])c1cncc(C(=O)OC)n1 ZINC000165935827 344240061 /nfs/dbraw/zinc/24/00/61/344240061.db2.gz UAIIMRCHSSGMRT-UHFFFAOYSA-N 1 0 224.264 0.048 10 0 BCAERO CN1CC[NH+](C[C@H]2CCCCC2=O)CC1 ZINC000060719885 344198090 /nfs/dbraw/zinc/19/80/90/344198090.db2.gz IZSHOVBXFMVZIH-LLVKDONJSA-N 1 0 210.321 0.993 10 0 BCAERO CO[C@@H]1CCCC[C@@]12C[NH2+]C[C@@H]2C(N)=O ZINC000234769230 344247490 /nfs/dbraw/zinc/24/74/90/344247490.db2.gz SRFXGBQXHJNKFL-KKZNHRDASA-N 1 0 212.293 0.267 10 0 BCAERO Cc1cc(=O)c(C[NH3+])c(N2CCCC2)[nH]1 ZINC000219561315 344282272 /nfs/dbraw/zinc/28/22/72/344282272.db2.gz SWJMWSOPQMPJNV-UHFFFAOYSA-N 1 0 207.277 0.742 10 0 BCAERO O=C(NC1C[NH2+]C1)c1ccoc1Cl ZINC000236038990 344283853 /nfs/dbraw/zinc/28/38/53/344283853.db2.gz APZAIJPWQHYYNB-UHFFFAOYSA-N 1 0 200.625 0.635 10 0 BCAERO C[C@@H]1OCC[C@@H]1NC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634770506 344284341 /nfs/dbraw/zinc/28/43/41/344284341.db2.gz NKUPPVAFJRDKFX-ZPFDUUQYSA-N 1 0 238.331 0.670 10 0 BCAERO C[C@@H]1C[C@H](NC(=O)[C@]23CCC[C@H]2C[NH2+]C3)CO1 ZINC000634771479 344285460 /nfs/dbraw/zinc/28/54/60/344285460.db2.gz WQVPGSWVXSFNOI-BLFANLJRSA-N 1 0 238.331 0.670 10 0 BCAERO C[C@H]1C[C@@H](NC(=O)[C@]23CCC[C@H]2C[NH2+]C3)CO1 ZINC000634771480 344285707 /nfs/dbraw/zinc/28/57/07/344285707.db2.gz WQVPGSWVXSFNOI-KQXIARHKSA-N 1 0 238.331 0.670 10 0 BCAERO CC(C)[C@@H](CO)NC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634771739 344287290 /nfs/dbraw/zinc/28/72/90/344287290.db2.gz HCVSDFXWATWBKH-LOWVWBTDSA-N 1 0 240.347 0.509 10 0 BCAERO CC[N@@H+]1CCC[C@@H]2CCC[C@@H](S(N)(=O)=O)[C@@H]21 ZINC000095829156 344357369 /nfs/dbraw/zinc/35/73/69/344357369.db2.gz WEJXJTDMDMMTMY-HBNTYKKESA-N 1 0 246.376 0.928 10 0 BCAERO CC[C@H]1C[NH2+]CCN1C(=O)c1cccc(OC)n1 ZINC000217850247 344374527 /nfs/dbraw/zinc/37/45/27/344374527.db2.gz RLBLARZPXJQBPA-JTQLQIEISA-N 1 0 249.314 0.914 10 0 BCAERO CCOc1cncc(N2C[C@H]([NH3+])C[C@@H]2C)n1 ZINC000385230292 344380065 /nfs/dbraw/zinc/38/00/65/344380065.db2.gz IYWIERMVHRHQEF-DTWKUNHWSA-N 1 0 222.292 0.801 10 0 BCAERO COC[C@@H]1CCCN(C(=O)[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000300063941 344386465 /nfs/dbraw/zinc/38/64/65/344386465.db2.gz AMFUWFHWQPKXEL-IJLUTSLNSA-N 1 0 240.347 0.727 10 0 BCAERO CN1CCN(c2nccc3occc32)[C@H](C[NH3+])C1 ZINC000300098766 344388739 /nfs/dbraw/zinc/38/87/39/344388739.db2.gz JVGIMDVMVZISRU-SNVBAGLBSA-N 1 0 246.314 0.907 10 0 BCAERO CCc1cc(N2CCO[C@@H]3C[NH2+]C[C@@H]32)ncn1 ZINC000634811081 344395914 /nfs/dbraw/zinc/39/59/14/344395914.db2.gz SADQXHIVRQHYGS-WDEREUQCSA-N 1 0 234.303 0.216 10 0 BCAERO C[C@@H]1CN(c2ncnc3c2ncn3C)C[C@H]1C[NH3+] ZINC000634812792 344397351 /nfs/dbraw/zinc/39/73/51/344397351.db2.gz RASDJIVZXZLGMQ-RKDXNWHRSA-N 1 0 246.318 0.394 10 0 BCAERO [NH3+][C@@H](CO)[C@H](O)c1ncc(Cl)s1 ZINC000223303010 344398693 /nfs/dbraw/zinc/39/86/93/344398693.db2.gz XICSUTBLDVWIFU-UCORVYFPSA-N 1 0 208.670 0.150 10 0 BCAERO CO[C@@H]1C[NH2+][C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000041058776 344416845 /nfs/dbraw/zinc/41/68/45/344416845.db2.gz MEJMFLDMERFNEI-JGVFFNPUSA-N 1 0 208.265 0.732 10 0 BCAERO CCOC(=O)CNC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000084309768 344418900 /nfs/dbraw/zinc/41/89/00/344418900.db2.gz PQOGQVJFMFWGDF-IUCAKERBSA-N 1 0 228.292 0.041 10 0 BCAERO CCC[C@H]([NH3+])C(=O)NC[C@H](C)COC ZINC000041679465 344439639 /nfs/dbraw/zinc/43/96/39/344439639.db2.gz MKYRPOAEQDPELL-IUCAKERBSA-N 1 0 202.298 0.513 10 0 BCAERO CC[C@@H](O)C[N@@H+]1CCO[C@H](Cn2cccn2)C1 ZINC000106386975 344475224 /nfs/dbraw/zinc/47/52/24/344475224.db2.gz DEQSBBKUSYOXKU-NEPJUHHUSA-N 1 0 239.319 0.355 10 0 BCAERO CCNC(=O)CN1CC[C@@H](Oc2cccnc2)C1 ZINC000152218832 344493589 /nfs/dbraw/zinc/49/35/89/344493589.db2.gz LFLKHAUWKOWMKA-GFCCVEGCSA-N 1 0 249.314 0.671 10 0 BCAERO COC[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000382003087 347051082 /nfs/dbraw/zinc/05/10/82/347051082.db2.gz ADXJIFDFDKEXDT-GMTAPVOTSA-N 1 0 249.376 0.967 10 0 BCAERO C[NH2+]C[C@H]1COCCN1C(=O)c1ccccc1 ZINC000211232393 344513009 /nfs/dbraw/zinc/51/30/09/344513009.db2.gz ODUSKGVMVBAWQH-LBPRGKRZSA-N 1 0 234.299 0.747 10 0 BCAERO CSCCNC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000069013720 344537144 /nfs/dbraw/zinc/53/71/44/344537144.db2.gz WVQKMEUUUVUFRE-VIFPVBQESA-N 1 0 216.350 0.855 10 0 BCAERO CSCCNC(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000069013669 344537162 /nfs/dbraw/zinc/53/71/62/344537162.db2.gz IJBGCKHEQPYMIN-BDAKNGLRSA-N 1 0 216.350 0.983 10 0 BCAERO CSCCNC(=O)[C@H]([NH3+])C1CCOCC1 ZINC000381700350 344537575 /nfs/dbraw/zinc/53/75/75/344537575.db2.gz IHNFVPSLBLUFAK-SECBINFHSA-N 1 0 232.349 0.220 10 0 BCAERO C[NH2+][C@H](C)C(=O)NCc1ccccc1OC ZINC000048775774 344574583 /nfs/dbraw/zinc/57/45/83/344574583.db2.gz MDVTVVXGGGFRIU-SECBINFHSA-N 1 0 222.288 0.919 10 0 BCAERO CC(C)CNC(=O)C1(C[NH3+])CCOCC1 ZINC000044761323 344545997 /nfs/dbraw/zinc/54/59/97/344545997.db2.gz BAILZKMTYGCLIR-UHFFFAOYSA-N 1 0 214.309 0.514 10 0 BCAERO COC(=O)[C@@H](C)CN(C)C(=O)[C@H]1CCC[NH2+]C1 ZINC000037823439 344593340 /nfs/dbraw/zinc/59/33/40/344593340.db2.gz JAJRBGTWTIXNLN-UWVGGRQHSA-N 1 0 242.319 0.254 10 0 BCAERO C[NH2+][C@H]1CCN(C2CCSCC2)C1=O ZINC000220776662 344581061 /nfs/dbraw/zinc/58/10/61/344581061.db2.gz SZYSQESAKZQRFE-VIFPVBQESA-N 1 0 214.334 0.702 10 0 BCAERO C[NH2+]C[C@@H]1C[C@@H](F)CN1Cc1noc(C)n1 ZINC000309413869 347057494 /nfs/dbraw/zinc/05/74/94/347057494.db2.gz GOPMEIBTYUOAEH-BDAKNGLRSA-N 1 0 228.271 0.510 10 0 BCAERO COC(=O)C[C@](C)([NH3+])c1ccc(OC)nc1 ZINC000309433129 347061566 /nfs/dbraw/zinc/06/15/66/347061566.db2.gz GKDCPRWQXYHTBJ-NSHDSACASA-N 1 0 224.260 0.827 10 0 BCAERO C[C@H]1CCCCC[N@@H+]1C[C@@](C)(N)C(N)=O ZINC000226740625 344599485 /nfs/dbraw/zinc/59/94/85/344599485.db2.gz JVYVLPLANROSDZ-GXSJLCMTSA-N 1 0 213.325 0.454 10 0 BCAERO CC1(C)C[C@]2(CO1)[NH2+]CCc1nc[nH]c12 ZINC000400372441 537854069 /nfs/dbraw/zinc/85/40/69/537854069.db2.gz CQIBMTDRWNHXRI-LLVKDONJSA-N 1 0 207.277 0.950 10 0 BCAERO C[C@H](Cc1cccs1)N1C[C@H]([NH3+])C1=O ZINC000227625679 344676045 /nfs/dbraw/zinc/67/60/45/344676045.db2.gz PUWWVPVFSAOQME-APPZFPTMSA-N 1 0 210.302 0.849 10 0 BCAERO OC[C@@H]1CC[C@@](O)(c2ccccc2)C[NH2+]1 ZINC000212148557 344722073 /nfs/dbraw/zinc/72/20/73/344722073.db2.gz XIYYHWXYEUFVGL-RYUDHWBXSA-N 1 0 207.273 0.619 10 0 BCAERO CC[C@@H](C(N)=S)[N@@H+]1CCO[C@@H](C)C1 ZINC000221294076 344724446 /nfs/dbraw/zinc/72/44/46/344724446.db2.gz CAMLQZGFKGIPNH-YUMQZZPRSA-N 1 0 202.323 0.772 10 0 BCAERO CC[C@H](C(N)=S)[N@@H+]1CCC[C@@H](O)C1 ZINC000221298769 344724548 /nfs/dbraw/zinc/72/45/48/344724548.db2.gz LRUPCNKIGNJZCV-HTQZYQBOSA-N 1 0 202.323 0.508 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N1CCC[C@@H]1CSC ZINC000399985297 344747074 /nfs/dbraw/zinc/74/70/74/344747074.db2.gz BKXWNHGLMLSMJY-RKDXNWHRSA-N 1 0 232.349 0.314 10 0 BCAERO Cn1ncnc1SC[C@H]1CCC[NH2+]C1 ZINC000127978726 344701871 /nfs/dbraw/zinc/70/18/71/344701871.db2.gz RKWGFRAZYPBHCQ-QMMMGPOBSA-N 1 0 212.322 0.907 10 0 BCAERO CCC[N@@H+]1CC[C@@]2(C1)NCCc1nc[nH]c12 ZINC000400386592 537855388 /nfs/dbraw/zinc/85/53/88/537855388.db2.gz IGZYESHZSPIRMJ-LBPRGKRZSA-N 1 0 220.320 0.866 10 0 BCAERO C[C@@H]1C[C@]2(CC[N@@H+]1C)NCCc1nc[nH]c12 ZINC000400390918 537855746 /nfs/dbraw/zinc/85/57/46/537855746.db2.gz PEEKBYBRFNLKLH-SKDRFNHKSA-N 1 0 220.320 0.865 10 0 BCAERO C[C@@H](CC(F)(F)F)N1C[C@@H]([NH3+])CC1=O ZINC000235092018 344782257 /nfs/dbraw/zinc/78/22/57/344782257.db2.gz CJPUXUYCQMLJMA-WDSKDSINSA-N 1 0 210.199 0.887 10 0 BCAERO C[C@@H]1C[C@@]2(CCO1)[NH2+]CCc1nc[nH]c12 ZINC000400553223 537860407 /nfs/dbraw/zinc/86/04/07/537860407.db2.gz JUIMNIJTSPBBLW-LDYMZIIASA-N 1 0 207.277 0.950 10 0 BCAERO C[NH2+][C@@H](C(N)=O)[C@@H](C)n1cc(C)nc1C ZINC000715107913 537863201 /nfs/dbraw/zinc/86/32/01/537863201.db2.gz NDYTWFARFRNRBJ-VXNVDRBHSA-N 1 0 210.281 0.134 10 0 BCAERO C[C@@H]1C[C@]2(CCO1)[NH2+]CCc1nc[nH]c12 ZINC000400553221 537860504 /nfs/dbraw/zinc/86/05/04/537860504.db2.gz JUIMNIJTSPBBLW-KCJUWKMLSA-N 1 0 207.277 0.950 10 0 BCAERO CCCCNC(=O)N1CC2(C1)CC[NH2+]C2 ZINC000675053336 537862605 /nfs/dbraw/zinc/86/26/05/537862605.db2.gz ICZJZGIUHDQRET-UHFFFAOYSA-N 1 0 211.309 0.791 10 0 BCAERO C[NH+]1CCN(c2ccc(CC(N)=O)cc2)CC1 ZINC000118743656 344821891 /nfs/dbraw/zinc/82/18/91/344821891.db2.gz LSTURKGRHCDXRG-UHFFFAOYSA-N 1 0 233.315 0.466 10 0 BCAERO CC(C)([NH3+])CC(=O)Nc1cnns1 ZINC000166314372 344853418 /nfs/dbraw/zinc/85/34/18/344853418.db2.gz UTWANWKRNUHHJJ-UHFFFAOYSA-N 1 0 200.267 0.604 10 0 BCAERO C[C@@H](C(=O)Nc1cnns1)[C@H](C)[NH3+] ZINC000166316910 344854139 /nfs/dbraw/zinc/85/41/39/344854139.db2.gz PWJLVXYFMWJOGP-UHNVWZDZSA-N 1 0 200.267 0.460 10 0 BCAERO CC[C@H](C)[C@H]([NH3+])C(=O)Nc1nnns1 ZINC000166327908 344858264 /nfs/dbraw/zinc/85/82/64/344858264.db2.gz VCEXTQSZUKESPP-WHFBIAKZSA-N 1 0 215.282 0.245 10 0 BCAERO C[C@@H]1CCN(C(=O)C(F)F)[C@@H](C[NH3+])C1 ZINC000235262748 344862852 /nfs/dbraw/zinc/86/28/52/344862852.db2.gz FNVINTVBSWYLIV-RNFRBKRXSA-N 1 0 206.236 0.837 10 0 BCAERO C[C@@H]1C[C@H]1[NH2+]C[C@@H]1CC(F)(F)C(=O)O1 ZINC000235278962 344870664 /nfs/dbraw/zinc/87/06/64/344870664.db2.gz HDTIJZIFNCMURY-DSYKOEDSSA-N 1 0 205.204 0.935 10 0 BCAERO C[N@H+](CC(=O)NC(C)(C)C)[C@@H]1CCC[C@@H]1O ZINC000078480128 344873606 /nfs/dbraw/zinc/87/36/06/344873606.db2.gz IKPKRPGUGBMOBE-ZJUUUORDSA-N 1 0 228.336 0.746 10 0 BCAERO C[C@@H]1OCC[C@@H]1S[C@@H]1C[NH2+]C[C@@H]1O ZINC000235329785 344885715 /nfs/dbraw/zinc/88/57/15/344885715.db2.gz OUSURMMUXFELMU-XSPKLOCKSA-N 1 0 203.307 0.230 10 0 BCAERO C[C@H]1CN[C@H](C(=O)NCc2ccccc2)C[NH2+]1 ZINC000062813847 347084905 /nfs/dbraw/zinc/08/49/05/347084905.db2.gz PDAVNLYJLYKTKV-JQWIXIFHSA-N 1 0 233.315 0.253 10 0 BCAERO NC(=[NH2+])c1ccncc1SC1COC1 ZINC000135785994 344893312 /nfs/dbraw/zinc/89/33/12/344893312.db2.gz MBAIXQCBQZJJIU-UHFFFAOYSA-N 1 0 209.274 0.857 10 0 BCAERO C[C@@H]1SCC[C@]1(C[NH3+])N1CCOCC1 ZINC000235390544 344901499 /nfs/dbraw/zinc/90/14/99/344901499.db2.gz HADLSVNKLLUVBE-VHSXEESVSA-N 1 0 216.350 0.542 10 0 BCAERO Cn1cncc1C[NH2+][C@@H]1CCC[C@@H](O)C1 ZINC000082394453 344906380 /nfs/dbraw/zinc/90/63/80/344906380.db2.gz ZWMZSBVNWALJDE-MWLCHTKSSA-N 1 0 209.293 0.813 10 0 BCAERO Cn1cncc1C[NH2+][C@H]1CCC[C@H](O)C1 ZINC000082394450 344906390 /nfs/dbraw/zinc/90/63/90/344906390.db2.gz ZWMZSBVNWALJDE-ONGXEEELSA-N 1 0 209.293 0.813 10 0 BCAERO C[NH2+][C@H](C)C(=O)Nc1nnc(C)s1 ZINC000135904502 344929892 /nfs/dbraw/zinc/92/98/92/344929892.db2.gz JQRHDMCNCJMOEK-SCSAIBSYSA-N 1 0 200.267 0.393 10 0 BCAERO C[C@H](O)C1CC[NH+](CC(N)=S)CC1 ZINC000235525422 344932307 /nfs/dbraw/zinc/93/23/07/344932307.db2.gz BVEAIBNOXOKCSB-ZETCQYMHSA-N 1 0 202.323 0.365 10 0 BCAERO C[C@@H]1C[C@@H](C)[C@H](C)[N@H+](C[C@H](O)C[NH3+])C1 ZINC000166664287 344954238 /nfs/dbraw/zinc/95/42/38/344954238.db2.gz ZGSYWZNKDHCCAU-CHWFTXMASA-N 1 0 200.326 0.672 10 0 BCAERO C[C@@H]1C[C@H](C)[C@H](C)[N@H+](C[C@H](O)C[NH3+])C1 ZINC000166664050 344954360 /nfs/dbraw/zinc/95/43/60/344954360.db2.gz ZGSYWZNKDHCCAU-VPOLOUISSA-N 1 0 200.326 0.672 10 0 BCAERO Cn1ncnc1S[C@@H]1COCC[C@@H]1[NH3+] ZINC000128122032 344960495 /nfs/dbraw/zinc/96/04/95/344960495.db2.gz QXSMKLHYCLKQNU-NKWVEPMBSA-N 1 0 214.294 0.023 10 0 BCAERO C[C@@H](C[NH2+]C1COC1)NC(=O)OC(C)(C)C ZINC000227677272 344968030 /nfs/dbraw/zinc/96/80/30/344968030.db2.gz ZCAPYXOIEGCSDD-QMMMGPOBSA-N 1 0 230.308 0.888 10 0 BCAERO Cc1ccn(C[C@@H]([NH2+]C(C)C)C(N)=O)n1 ZINC000070686523 537879711 /nfs/dbraw/zinc/87/97/11/537879711.db2.gz YZRXMTFYEFBSAO-SECBINFHSA-N 1 0 210.281 0.043 10 0 BCAERO C[C@H]1CN(C)CC[N@@H+]1C[C@@H]1CCCC1=O ZINC000235590686 344950709 /nfs/dbraw/zinc/95/07/09/344950709.db2.gz OBHCLYGDVLUGLA-QWRGUYRKSA-N 1 0 210.321 0.992 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)N2CC[C@H](C[NH+](C)C)C2)O1 ZINC000154823894 345052547 /nfs/dbraw/zinc/05/25/47/345052547.db2.gz HBBRBHBRCDHKDH-IJLUTSLNSA-N 1 0 240.347 0.964 10 0 BCAERO Clc1cnccc1NC[C@H]1C[NH2+]CCCO1 ZINC000390183830 259382272 /nfs/dbraw/zinc/38/22/72/259382272.db2.gz FWRGAUBDHYKNHI-SECBINFHSA-N 1 0 241.722 0.947 10 0 BCAERO Cc1ccc(S(=O)(=O)C[C@@H](O)C[NH3+])cc1C ZINC000019685688 178823384 /nfs/dbraw/zinc/82/33/84/178823384.db2.gz RPSFBGJLETZLSK-JTQLQIEISA-N 1 0 243.328 0.397 10 0 BCAERO C[C@@H](C[NH3+])S(=O)(=O)c1ccc(F)cc1 ZINC000011896490 345057500 /nfs/dbraw/zinc/05/75/00/345057500.db2.gz QSIHJEGNDAIFEI-ZETCQYMHSA-N 1 0 217.265 0.947 10 0 BCAERO N[C@H](C[NH3+])c1ccc(Br)cn1 ZINC000044472873 345090808 /nfs/dbraw/zinc/09/08/08/345090808.db2.gz SIRDLECDOLOJBF-ZCFIWIBFSA-N 1 0 216.082 0.803 10 0 BCAERO C[N@H+](C1CCC1)[C@@H]1CC[C@@](N)(C(N)=O)C1 ZINC000221406699 345096856 /nfs/dbraw/zinc/09/68/56/345096856.db2.gz WDAAGDDLRPINJM-KOLCDFICSA-N 1 0 211.309 0.206 10 0 BCAERO Cc1ccc(S(=O)(=O)N[C@H]2C[C@@H]2[NH3+])s1 ZINC000036264357 178827047 /nfs/dbraw/zinc/82/70/47/178827047.db2.gz RJNHMYRYMVBZNE-BQBZGAKWSA-N 1 0 232.330 0.434 10 0 BCAERO CC(C)S(=O)(=O)N1CC2(C1)CC[NH2+]C2 ZINC000114227372 537890573 /nfs/dbraw/zinc/89/05/73/537890573.db2.gz NHVMHFKGMCIPBR-UHFFFAOYSA-N 1 0 218.322 0.020 10 0 BCAERO C[C@@H]1C[C@@H](C(F)F)N2NC(CC[NH3+])=NC2=N1 ZINC000720941994 537891681 /nfs/dbraw/zinc/89/16/81/537891681.db2.gz SITCJKUFAWCXLI-RITPCOANSA-N 1 0 231.250 0.336 10 0 BCAERO C[C@@H](CO)[NH2+]CCNC(=O)OC(C)(C)C ZINC000157343922 345257860 /nfs/dbraw/zinc/25/78/60/345257860.db2.gz WXHBFURBCSKMRD-QMMMGPOBSA-N 1 0 218.297 0.482 10 0 BCAERO O[C@H]1C=C(CCc2ccns2)C[NH2+]C1 ZINC000675076983 537893384 /nfs/dbraw/zinc/89/33/84/537893384.db2.gz IBJMLWGOPGBAIH-VIFPVBQESA-N 1 0 210.302 0.966 10 0 BCAERO Cc1nnc(N2C[C@H](C)[NH2+]C[C@@H]2C)nc1C ZINC000158947030 345390802 /nfs/dbraw/zinc/39/08/02/345390802.db2.gz OQZOPDQCPPJSLQ-YUMQZZPRSA-N 1 0 221.308 0.675 10 0 BCAERO CC(C)[C@](C)(O)C[N@@H+]1CC[C@](C)(O)C1 ZINC000248560696 345415863 /nfs/dbraw/zinc/41/58/63/345415863.db2.gz MSXKYNCANHMTQR-WDEREUQCSA-N 1 0 201.310 0.850 10 0 BCAERO COC[C@@H]([NH3+])C(=O)Nc1ccccc1N(C)C ZINC000159224662 345418209 /nfs/dbraw/zinc/41/82/09/345418209.db2.gz WHYCWLQCFJLBST-SECBINFHSA-N 1 0 237.303 0.665 10 0 BCAERO CC(C)([NH3+])c1nc2c(c(=O)[nH]1)CSC2 ZINC000134654300 345418443 /nfs/dbraw/zinc/41/84/43/345418443.db2.gz KUNWMOKOINSIOI-UHFFFAOYSA-N 1 0 211.290 0.711 10 0 BCAERO CCOc1ccccc1NC(=O)[C@H]([NH3+])COC ZINC000159549766 345441997 /nfs/dbraw/zinc/44/19/97/345441997.db2.gz VPRIYYFIYYWSEA-SECBINFHSA-N 1 0 238.287 0.998 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N1CCc2ccccc2C1 ZINC000159565474 345442777 /nfs/dbraw/zinc/44/27/77/345442777.db2.gz FZTHRDRJLLVJNM-GFCCVEGCSA-N 1 0 234.299 0.545 10 0 BCAERO COC[C@H]([NH3+])C(=O)N(Cc1ccncc1)C1CC1 ZINC000159720846 345504253 /nfs/dbraw/zinc/50/42/53/345504253.db2.gz REKNOUVQPNVVDU-LBPRGKRZSA-N 1 0 249.314 0.546 10 0 BCAERO C[C@H]1C[N@H+](C)CC[C@@H]1NC(=O)C(F)F ZINC000235695817 345505669 /nfs/dbraw/zinc/50/56/69/345505669.db2.gz XSUCTVVBTQGYLZ-BQBZGAKWSA-N 1 0 206.236 0.708 10 0 BCAERO CC[N@H+](C)CCNc1nccc(N(C)C)n1 ZINC000091461701 345589719 /nfs/dbraw/zinc/58/97/19/345589719.db2.gz HVCIRANPIRIQLB-UHFFFAOYSA-N 1 0 223.324 0.906 10 0 BCAERO CC1[C@@H](C)N2O[C@](C)(O)C[C@@]2(C)[N+]1=O ZINC000253495512 345680393 /nfs/dbraw/zinc/68/03/93/345680393.db2.gz GYFXRRINFDTQRS-VGMNWLOBSA-N 1 0 200.238 0.422 10 0 BCAERO COC(=O)CCN1CC[NH2+]C[C@@H]1C(C)C ZINC000261084589 345718249 /nfs/dbraw/zinc/71/82/49/345718249.db2.gz SVLGNFLHJGQZCA-SNVBAGLBSA-N 1 0 214.309 0.479 10 0 BCAERO COC(=O)c1cnc(N[C@H]2CC[NH2+]C2)nc1 ZINC000212495865 345738119 /nfs/dbraw/zinc/73/81/19/345738119.db2.gz OKBIJWNWDRVGED-QMMMGPOBSA-N 1 0 222.248 0.037 10 0 BCAERO CC(C)S(=O)(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000257353111 345774393 /nfs/dbraw/zinc/77/43/93/345774393.db2.gz PLLFTCPZXGTOCK-MGCOHNPYSA-N 1 0 234.365 0.832 10 0 BCAERO CCCCS(=O)(=O)N1CC[C@@H]([NH3+])[C@@H]1C ZINC000335915607 345849837 /nfs/dbraw/zinc/84/98/37/345849837.db2.gz LQLIQPOKMYTAFP-DTWKUNHWSA-N 1 0 220.338 0.538 10 0 BCAERO COc1cc(N2CC[NH+](C)CC2)ncc1N ZINC000218651068 345853614 /nfs/dbraw/zinc/85/36/14/345853614.db2.gz JXVVDJZNRTUKHS-UHFFFAOYSA-N 1 0 222.292 0.424 10 0 BCAERO C[NH+]1CCN(Cc2cncc(N)c2)CC1 ZINC000218669789 345855081 /nfs/dbraw/zinc/85/50/81/345855081.db2.gz FNIFSNLEXDQZED-UHFFFAOYSA-N 1 0 206.293 0.411 10 0 BCAERO O=C1C[C@H](CN2CC[NH2+]CC2)Cc2occc21 ZINC000034506565 345830146 /nfs/dbraw/zinc/83/01/46/345830146.db2.gz LCOHQDBDZRALTJ-JTQLQIEISA-N 1 0 234.299 0.930 10 0 BCAERO CC[C@@H]1CN(C(=O)[C@@H]2C[NH2+]C[C@H]2C)C[C@H](C)O1 ZINC000449248535 201849212 /nfs/dbraw/zinc/84/92/12/201849212.db2.gz JLCGSRCRRQFLNO-WRWGMCAJSA-N 1 0 240.347 0.868 10 0 BCAERO Cc1ccc([S@](=O)C2CC[NH2+]CC2)nn1 ZINC000095069116 178934777 /nfs/dbraw/zinc/93/47/77/178934777.db2.gz OJHBTGIORUAZEX-HNNXBMFYSA-N 1 0 225.317 0.645 10 0 BCAERO CCS(=O)(=O)[C@H]1CCCC[C@H]1C[NH3+] ZINC000082790013 537921965 /nfs/dbraw/zinc/92/19/65/537921965.db2.gz FPFRFDPHNUEWIF-IUCAKERBSA-N 1 0 205.323 0.939 10 0 BCAERO CCS(=O)(=O)[C@H]1CCCC[C@@H]1C[NH3+] ZINC000082790008 537922359 /nfs/dbraw/zinc/92/23/59/537922359.db2.gz FPFRFDPHNUEWIF-BDAKNGLRSA-N 1 0 205.323 0.939 10 0 BCAERO C[C@@H](C[NH3+])CN1C(=O)CCSC1=O ZINC000166871798 345924565 /nfs/dbraw/zinc/92/45/65/345924565.db2.gz DIUDJEFRPYPHAX-LURJTMIESA-N 1 0 202.279 0.667 10 0 BCAERO COCCN(CC[NH3+])C(=O)CC1CC1 ZINC000124268120 537923986 /nfs/dbraw/zinc/92/39/86/537923986.db2.gz KDTWIBQGMLSPBH-UHFFFAOYSA-N 1 0 200.282 0.220 10 0 BCAERO Cc1cc(Cl)nc(NC(=O)C[NH3+])n1 ZINC000235843949 345947099 /nfs/dbraw/zinc/94/70/99/345947099.db2.gz GHAHCXBEUCXXOU-UHFFFAOYSA-N 1 0 200.629 0.336 10 0 BCAERO CCc1nc(CC[NH2+]C2CC(OC)C2)no1 ZINC000381466954 345979516 /nfs/dbraw/zinc/97/95/16/345979516.db2.gz MYQBBEKSZYANBR-UHFFFAOYSA-N 1 0 225.292 0.942 10 0 BCAERO CCCCOC[C@H](O)C[NH2+][C@H]1C[C@H](O)C1(C)C ZINC000300298790 346014270 /nfs/dbraw/zinc/01/42/70/346014270.db2.gz NLOADHSHCNFOSA-WOPDTQHZSA-N 1 0 245.363 0.913 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)N[C@@H]2CC[NH2+]C2(C)C)O1 ZINC000307824849 346028236 /nfs/dbraw/zinc/02/82/36/346028236.db2.gz SZQXMYOGAHFPJA-OPRDCNLKSA-N 1 0 226.320 0.811 10 0 BCAERO COC(=O)C1(C[C@@H]2CO2)CC[NH+](C)CC1 ZINC000669371842 537949230 /nfs/dbraw/zinc/94/92/30/537949230.db2.gz BLDTXLYQQYDEQL-SECBINFHSA-N 1 0 213.277 0.660 10 0 BCAERO Cc1coc(S[C@@H]2C[NH2+]C[C@H]2O)n1 ZINC000235941360 346173331 /nfs/dbraw/zinc/17/33/31/346173331.db2.gz JQBAZTUQNFORQN-RNFRBKRXSA-N 1 0 200.263 0.408 10 0 BCAERO CC[NH+]1CCC([C@H](C)S(=O)(=O)NC)CC1 ZINC000669374827 537951931 /nfs/dbraw/zinc/95/19/31/537951931.db2.gz BLIREGWDQPJAFT-VIFPVBQESA-N 1 0 234.365 0.656 10 0 BCAERO Cc1cccc(=O)n1CCN1CC[NH2+]CC1 ZINC000043500062 179003449 /nfs/dbraw/zinc/00/34/49/179003449.db2.gz FHYNAHICEJZYFC-UHFFFAOYSA-N 1 0 221.304 0.062 10 0 BCAERO [NH3+][C@@H](CC1OCCO1)c1cncc(F)c1 ZINC000236303629 346225476 /nfs/dbraw/zinc/22/54/76/346225476.db2.gz QDOGTSGXXPZWLR-VIFPVBQESA-N 1 0 212.224 0.984 10 0 BCAERO CCOC(=O)CCCNC(=O)C[C@H]([NH3+])C(C)C ZINC000136472323 346225939 /nfs/dbraw/zinc/22/59/39/346225939.db2.gz RJBSMXZELFILBD-JTQLQIEISA-N 1 0 244.335 0.819 10 0 BCAERO [NH3+][C@@H]1COCCN(Cc2ccccc2)C1 ZINC000034217049 346226588 /nfs/dbraw/zinc/22/65/88/346226588.db2.gz AAJPISLWSKALAE-LBPRGKRZSA-N 1 0 206.289 0.846 10 0 BCAERO [NH3+][C@@]1(C[C@H]2CCCO2)CCS(=O)(=O)C1 ZINC000167463905 346250658 /nfs/dbraw/zinc/25/06/58/346250658.db2.gz ROILRGOMTZJBBI-RKDXNWHRSA-N 1 0 219.306 0.072 10 0 BCAERO [NH3+][C@]1(C[C@@H]2CCCO2)CCS(=O)(=O)C1 ZINC000167464211 346250937 /nfs/dbraw/zinc/25/09/37/346250937.db2.gz ROILRGOMTZJBBI-IUCAKERBSA-N 1 0 219.306 0.072 10 0 BCAERO CO[C@H](C)CN1C[C@H]([NH3+])[C@@H](C)CC1=O ZINC000167649173 346297695 /nfs/dbraw/zinc/29/76/95/346297695.db2.gz FBBGANWBWVJIFB-YIZRAAEISA-N 1 0 200.282 0.217 10 0 BCAERO CCC[C@]1([NH2+]C[C@@H]2CNC(=O)O2)CCOC1 ZINC000381541090 346303111 /nfs/dbraw/zinc/30/31/11/346303111.db2.gz HWDQQKWSYFGCRE-ONGXEEELSA-N 1 0 228.292 0.644 10 0 BCAERO Cn1cc([C@H](O)CC[NH3+])c(Br)n1 ZINC000669377763 537965990 /nfs/dbraw/zinc/96/59/90/537965990.db2.gz HNGYXKBJNFTMHP-ZCFIWIBFSA-N 1 0 234.097 0.565 10 0 BCAERO C[C@@H]1CCN(C(=O)C(F)(F)F)C[C@@H]1C[NH3+] ZINC000167615502 346290000 /nfs/dbraw/zinc/29/00/00/346290000.db2.gz FLUDZNJFQQIMAY-RQJHMYQMSA-N 1 0 224.226 0.992 10 0 BCAERO O=C([O-])[C@H]1C[NH2+]C[C@H](C[NH+]2CCCCC2)C1 ZINC000669378563 537968060 /nfs/dbraw/zinc/96/80/60/537968060.db2.gz HDLUARLHUXZPAM-GHMZBOCLSA-N 1 0 226.320 0.783 10 0 BCAERO CC[NH+](CC)C[C@H]1C[NH2+]C[C@H](C(=O)[O-])C1 ZINC000669378584 537969351 /nfs/dbraw/zinc/96/93/51/537969351.db2.gz HZPPVQUQZJSADJ-NXEZZACHSA-N 1 0 214.309 0.639 10 0 BCAERO CC(C)NC(=O)C[N@@H+]1CC[C@H](CCO)C1 ZINC000161587497 346338247 /nfs/dbraw/zinc/33/82/47/346338247.db2.gz ZVONHGNWNMYIRW-SNVBAGLBSA-N 1 0 214.309 0.215 10 0 BCAERO COC(=O)CC[N@@H+]1CC[C@@H](CCO)C1 ZINC000161594175 346338575 /nfs/dbraw/zinc/33/85/75/346338575.db2.gz YIVAMXLXWLXIEY-VIFPVBQESA-N 1 0 201.266 0.254 10 0 BCAERO CCCN(c1ccc(C#N)nn1)[C@H]1CC[NH2+]C1 ZINC000396896914 349956311 /nfs/dbraw/zinc/95/63/11/349956311.db2.gz UNOJPPWOGKQAGZ-NSHDSACASA-N 1 0 231.303 0.927 10 0 BCAERO CN(CC[N@H+](C)CCO)Cc1ccns1 ZINC000641774411 362714454 /nfs/dbraw/zinc/71/44/54/362714454.db2.gz DFTAZIVRZKWVIW-UHFFFAOYSA-N 1 0 229.349 0.499 10 0 BCAERO CNC(=O)OC[C@@H]1C[NH2+]CC(C)(C)O1 ZINC000158634766 346399514 /nfs/dbraw/zinc/39/95/14/346399514.db2.gz PZCQLENVGDCJGW-ZETCQYMHSA-N 1 0 202.254 0.109 10 0 BCAERO CCCNC(=O)NCC[C@@H]1C[NH2+]C[C@H]1C ZINC000669379177 537974945 /nfs/dbraw/zinc/97/49/45/537974945.db2.gz VUGOUXDOCGHAQL-NXEZZACHSA-N 1 0 213.325 0.941 10 0 BCAERO CC(C)[NH2+]CCN(C)S(=O)(=O)C1CC1 ZINC000669379193 537975302 /nfs/dbraw/zinc/97/53/02/537975302.db2.gz WOMYXGUXQGVMEY-UHFFFAOYSA-N 1 0 220.338 0.408 10 0 BCAERO Cc1cccc(C[N@@H+]2CCC[C@@](O)(C(N)=O)C2)c1 ZINC000284767555 179077612 /nfs/dbraw/zinc/07/76/12/179077612.db2.gz GWMYOUFJLLKYKR-AWEZNQCLSA-N 1 0 248.326 0.807 10 0 BCAERO COCC(=O)N(C1CCC1)C1CC[NH2+]CC1 ZINC000675054925 537976937 /nfs/dbraw/zinc/97/69/37/537976937.db2.gz LRTPDQKFXGWQTL-UHFFFAOYSA-N 1 0 226.320 0.766 10 0 BCAERO COCC(=O)NCC[C@](C)([NH3+])C(F)F ZINC000669379270 537977752 /nfs/dbraw/zinc/97/77/52/537977752.db2.gz ZHANMXXEMNUZIE-QMMMGPOBSA-N 1 0 210.224 0.122 10 0 BCAERO Cc1cccc(CNC(=O)[C@H]2C[NH2+]CCN2)c1 ZINC000062812891 179088209 /nfs/dbraw/zinc/08/82/09/179088209.db2.gz IQSLCTURFQFVGY-GFCCVEGCSA-N 1 0 233.315 0.173 10 0 BCAERO CCOCCNC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170828479 346456659 /nfs/dbraw/zinc/45/66/59/346456659.db2.gz NSBXLZIPMJFRCP-JTQLQIEISA-N 1 0 229.324 0.368 10 0 BCAERO COCCN(CC[NH3+])C(=O)NCC(C)C ZINC000725241650 537980965 /nfs/dbraw/zinc/98/09/65/537980965.db2.gz KSDDMRBTIPJBNA-UHFFFAOYSA-N 1 0 217.313 0.259 10 0 BCAERO CCC(F)(F)CN(C)[C@H]1C[NH2+]C[C@@H]1O ZINC000641799100 362747400 /nfs/dbraw/zinc/74/74/00/362747400.db2.gz JPCRJJYILXOUAO-YUMQZZPRSA-N 1 0 208.252 0.296 10 0 BCAERO CC(C)OCCC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170866826 346466790 /nfs/dbraw/zinc/46/67/90/346466790.db2.gz HMIYVPMTKCRASV-LLVKDONJSA-N 1 0 228.336 0.964 10 0 BCAERO O=S(=O)(C1CC1)N1CCC[NH2+]C2(CC2)C1 ZINC000725241711 537981452 /nfs/dbraw/zinc/98/14/52/537981452.db2.gz NFAYFNPFNSZYCG-UHFFFAOYSA-N 1 0 230.333 0.307 10 0 BCAERO C[C@@H](C[NH3+])Nc1ccc(S(C)(=O)=O)cc1F ZINC000390485456 259390275 /nfs/dbraw/zinc/39/02/75/259390275.db2.gz NBYKAVIYKHUMLY-ZETCQYMHSA-N 1 0 246.307 0.988 10 0 BCAERO COCC[C@H](CO)[NH2+][C@@H]1CCCC[C@H]1O ZINC000300840010 346519411 /nfs/dbraw/zinc/51/94/11/346519411.db2.gz JOEBTLPTMLWIGQ-GMTAPVOTSA-N 1 0 217.309 0.277 10 0 BCAERO CC[C@@](O)(CN1CC[NH2+]C[C@H]1C)C(F)(F)F ZINC000669379839 537982237 /nfs/dbraw/zinc/98/22/37/537982237.db2.gz KWMZNKYCXRYJKF-RKDXNWHRSA-N 1 0 240.269 0.984 10 0 BCAERO CN1C(=O)CC[C@H]([NH3+])[C@H]1c1nccs1 ZINC000161691388 346496992 /nfs/dbraw/zinc/49/69/92/346496992.db2.gz YOOVPQFJGQWBNY-XPUUQOCRSA-N 1 0 211.290 0.764 10 0 BCAERO C[C@@H](NC(=O)[C@@H]1CC[NH2+]C1)c1cscn1 ZINC000580097636 346523116 /nfs/dbraw/zinc/52/31/16/346523116.db2.gz UOVDZSUUBZBMFO-HTQZYQBOSA-N 1 0 225.317 0.930 10 0 BCAERO C[C@@H]1CN(C(=O)[C@@H]2CC[NH2+]C2)C[C@H](C)S1 ZINC000069909782 349968845 /nfs/dbraw/zinc/96/88/45/349968845.db2.gz ABDADARGXSJZLK-KXUCPTDWSA-N 1 0 228.361 0.948 10 0 BCAERO COC(=O)[C@H](C)N[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000725241821 537981772 /nfs/dbraw/zinc/98/17/72/537981772.db2.gz RBBKAZZFIGUPSC-DCAQKATOSA-N 1 0 226.320 0.764 10 0 BCAERO CS(=O)(=O)c1cnn([C@@H]2CC[C@H]2C[NH3+])c1 ZINC000725242134 537983385 /nfs/dbraw/zinc/98/33/85/537983385.db2.gz HSDXOLHUDOBSIK-IONNQARKSA-N 1 0 229.305 0.196 10 0 BCAERO CC[C@H](O)CN1CC[NH+](C[C@@H](C)COC)CC1 ZINC000187248069 346563711 /nfs/dbraw/zinc/56/37/11/346563711.db2.gz ZTCBNBREDXEULE-OLZOCXBDSA-N 1 0 244.379 0.657 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)O1 ZINC000186901740 346545003 /nfs/dbraw/zinc/54/50/03/346545003.db2.gz VEBMLCWQXQXLJT-CSYMLDBXSA-N 1 0 238.331 0.750 10 0 BCAERO C[C@@H](C[NH3+])[C@H](C)n1cc(S(C)(=O)=O)cn1 ZINC000725242384 537982994 /nfs/dbraw/zinc/98/29/94/537982994.db2.gz YKSVQSFAGZZNTO-YUMQZZPRSA-N 1 0 231.321 0.442 10 0 BCAERO CS(=O)(=O)c1cnn([C@@H]2CCCC[NH2+]2)c1 ZINC000725242347 537983114 /nfs/dbraw/zinc/98/31/14/537983114.db2.gz WDXNTMXPSGRGPR-SECBINFHSA-N 1 0 229.305 0.559 10 0 BCAERO CS(=O)(=O)c1cnn(CC[C@@H]2CC[NH2+]C2)c1 ZINC000725242137 537984422 /nfs/dbraw/zinc/98/44/22/537984422.db2.gz HUBXGJYEHPQLIF-VIFPVBQESA-N 1 0 243.332 0.286 10 0 BCAERO CO[C@H](C)C(=O)N1C[C@@H](C)C[C@H]([NH3+])C1 ZINC000163897554 346581455 /nfs/dbraw/zinc/58/14/55/346581455.db2.gz JOKQJALTZZOBKU-YIZRAAEISA-N 1 0 200.282 0.217 10 0 BCAERO O[C@@H]1CCC[C@H](C[NH2+]CC2(O)CCOCC2)C1 ZINC000310444380 323131937 /nfs/dbraw/zinc/13/19/37/323131937.db2.gz UAJUBQQUIZVMLH-NWDGAFQWSA-N 1 0 243.347 0.669 10 0 BCAERO C[C@H]1CC[C@H](NS(=O)(=O)C(F)F)C[NH2+]1 ZINC000164764074 346624096 /nfs/dbraw/zinc/62/40/96/346624096.db2.gz ZHVXULRVEDEXCJ-WDSKDSINSA-N 1 0 228.264 0.269 10 0 BCAERO COc1nsc(OC)c1[C@@H]1C[NH2+]CCN1 ZINC000669379989 537985765 /nfs/dbraw/zinc/98/57/65/537985765.db2.gz ODFUCXSMIYYBHQ-LURJTMIESA-N 1 0 229.305 0.394 10 0 BCAERO CC(C)(O)C[NH2+]CC1(CO)CCCC1 ZINC000168636385 346738648 /nfs/dbraw/zinc/73/86/48/346738648.db2.gz BNOWLZSKCBZZND-UHFFFAOYSA-N 1 0 201.310 0.900 10 0 BCAERO CCNC(=O)C[C@H]1[NH2+]CCc2ncn(C)c21 ZINC000725242587 537985764 /nfs/dbraw/zinc/98/57/64/537985764.db2.gz JHNIPUOALNBSFS-SECBINFHSA-N 1 0 222.292 0.133 10 0 BCAERO C[C@H](CCCO)NC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000087359974 365865697 /nfs/dbraw/zinc/86/56/97/365865697.db2.gz XARLJBNQAVJTOY-MNOVXSKESA-N 1 0 228.336 0.653 10 0 BCAERO C[C@@H]1C[C@H]([NH2+]CCn2cncn2)c2nccn21 ZINC000381743953 346796737 /nfs/dbraw/zinc/79/67/37/346796737.db2.gz ZYOSCJTXCVQVQN-ZJUUUORDSA-N 1 0 232.291 0.770 10 0 BCAERO Cc1cccc(OCCNC(=O)C2C[NH2+]C2)c1 ZINC000091409341 179168057 /nfs/dbraw/zinc/16/80/57/179168057.db2.gz VUOAGFVDCIHVQP-UHFFFAOYSA-N 1 0 234.299 0.709 10 0 BCAERO COC[C@@H](C)[C@@H]1[NH2+]CCc2ncn(C)c21 ZINC000725242516 537986663 /nfs/dbraw/zinc/98/66/63/537986663.db2.gz BAUXMQFFCFZIGJ-SCZZXKLOSA-N 1 0 209.293 0.889 10 0 BCAERO Cc1cccc(OCC[NH2+][C@H]2CC(=O)NC2=O)c1 ZINC000103439003 179168202 /nfs/dbraw/zinc/16/82/02/179168202.db2.gz PBPZYQIWZWNCID-NSHDSACASA-N 1 0 248.282 0.379 10 0 BCAERO Cc1cccc(OCC[NH2+][C@H]2COC[C@H]2O)c1 ZINC000042896434 179168814 /nfs/dbraw/zinc/16/88/14/179168814.db2.gz PDCRHHZCXWYVOS-QWHCGFSZSA-N 1 0 237.299 0.723 10 0 BCAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)N[C@H]1CCOC1 ZINC000252625835 133650150 /nfs/dbraw/zinc/65/01/50/133650150.db2.gz YUFGQSOZPGHDLE-LPEHRKFASA-N 1 0 227.308 0.215 10 0 BCAERO Cc1cccc(OC[C@H](O)C[NH2+]C2COC2)c1 ZINC000094710325 179170560 /nfs/dbraw/zinc/17/05/60/179170560.db2.gz XYIMPOXJMZCQKP-GFCCVEGCSA-N 1 0 237.299 0.723 10 0 BCAERO C[C@H](CCn1cccn1)[NH2+][C@@H]1C[C@H]1CO ZINC000380089495 365875636 /nfs/dbraw/zinc/87/56/36/365875636.db2.gz IKZKAPNTCBQJRM-OUAUKWLOSA-N 1 0 209.293 0.632 10 0 BCAERO CCc1nc(CC[NH2+][C@@H](C)CC(N)=O)no1 ZINC000309669054 347132764 /nfs/dbraw/zinc/13/27/64/347132764.db2.gz VGORMHLJBYDOFL-ZETCQYMHSA-N 1 0 226.280 0.028 10 0 BCAERO C[C@@]([NH3+])(Cc1ccc(C2=[NH+]CCN2)cc1)C(=O)[O-] ZINC000039374028 347189991 /nfs/dbraw/zinc/18/99/91/347189991.db2.gz GZSOQVICLZMYFV-CYBMUJFWSA-N 1 0 247.298 0.381 10 0 BCAERO O=S1(=O)CC[C@@H]([NH2+][C@H]2CCC[C@H]3C[C@H]32)C1 ZINC000382172740 347215219 /nfs/dbraw/zinc/21/52/19/347215219.db2.gz WZFIGKQNYSXJCK-ZDCRXTMVSA-N 1 0 229.345 0.952 10 0 BCAERO COC(=O)c1cnn2ccc(C[NH3+])cc12 ZINC000118229425 347225050 /nfs/dbraw/zinc/22/50/50/347225050.db2.gz GVVOEZPSDVWJKB-UHFFFAOYSA-N 1 0 205.217 0.580 10 0 BCAERO C[S@](=O)C1(C[NH2+]CC(C)(C)O)CC1 ZINC000380215047 347228305 /nfs/dbraw/zinc/22/83/05/347228305.db2.gz REIDNOMZSURADP-ZDUSSCGKSA-N 1 0 205.323 0.258 10 0 BCAERO CC[S@](=O)[C@H]1CC2(CC[C@H]1[NH3+])OCCO2 ZINC000250256643 362796589 /nfs/dbraw/zinc/79/65/89/362796589.db2.gz WVMCXWOQILCCGR-OLBFVZFUSA-N 1 0 233.333 0.378 10 0 BCAERO Cc1c(-c2cnn(CCC[NH3+])c2)cnn1C ZINC000390060932 347237551 /nfs/dbraw/zinc/23/75/51/347237551.db2.gz UEUINIRHLFOYMT-UHFFFAOYSA-N 1 0 219.292 0.941 10 0 BCAERO Cc1cccc([C@H]([C@@H](C)[NH3+])N2CCNC(=O)C2)c1 ZINC000042965508 179204298 /nfs/dbraw/zinc/20/42/98/179204298.db2.gz UXEWQFQTYJNMFJ-RISCZKNCSA-N 1 0 247.342 0.815 10 0 BCAERO Cc1cccc([C@H](C[NH3+])N2CCC[C@@H]2C(N)=O)c1 ZINC000042965867 179199060 /nfs/dbraw/zinc/19/90/60/179199060.db2.gz GIRBHFMDUIRVLD-OLZOCXBDSA-N 1 0 247.342 0.945 10 0 BCAERO CC(C)OCC[C@@H](O)C[NH2+][C@@H]1CCO[C@@H]1C ZINC000382294809 347263647 /nfs/dbraw/zinc/26/36/47/347263647.db2.gz LYCZUKQCUYIIOQ-IJLUTSLNSA-N 1 0 231.336 0.929 10 0 BCAERO CC[N@H+](C)C[C@@H](O)CCC1(O)CCC1 ZINC000669380418 537988990 /nfs/dbraw/zinc/98/89/90/537988990.db2.gz YSVJMYGWUZWTOO-JTQLQIEISA-N 1 0 201.310 0.994 10 0 BCAERO CC[NH2+][C@@H]1CC[C@@H](S(C)(=O)=O)[C@H]1C ZINC000250742217 362818233 /nfs/dbraw/zinc/81/82/33/362818233.db2.gz VJGYOBQFFZEQJL-DJLDLDEBSA-N 1 0 205.323 0.808 10 0 BCAERO CC[NH2+][C@@H]1CC[C@H](S(C)(=O)=O)[C@H]1C ZINC000250742219 362818262 /nfs/dbraw/zinc/81/82/62/362818262.db2.gz VJGYOBQFFZEQJL-YIZRAAEISA-N 1 0 205.323 0.808 10 0 BCAERO C[NH2+][C@@H]1CSC[C@H]1[C@H]1CCS(=O)(=O)C1 ZINC000250738696 362818495 /nfs/dbraw/zinc/81/84/95/362818495.db2.gz MCBNNVNQSSEPGT-XHNCKOQMSA-N 1 0 235.374 0.372 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N(C)[C@H](C)C(C)(C)C ZINC000088003218 362819404 /nfs/dbraw/zinc/81/94/04/362819404.db2.gz IYODDCKXFICQKE-RKDXNWHRSA-N 1 0 216.325 0.853 10 0 BCAERO CC[NH2+][C@]1(C(=O)[O-])CC[N@@H+]2CCC[C@H]2C1 ZINC000250763327 362819502 /nfs/dbraw/zinc/81/95/02/362819502.db2.gz YGGONDVGGZWENH-GXSJLCMTSA-N 1 0 212.293 0.678 10 0 BCAERO [NH3+][C@@H]1CCC[C@H]1[C@H]1CCS(=O)(=O)C1 ZINC000250643882 362814654 /nfs/dbraw/zinc/81/46/54/362814654.db2.gz IQWHGPCSLAVTCG-XHNCKOQMSA-N 1 0 203.307 0.549 10 0 BCAERO CCCCOC[C@@H](O)C[N@H+](C)CC[C@@H](C)O ZINC000193252295 347394126 /nfs/dbraw/zinc/39/41/26/347394126.db2.gz QLTDHQNORLEWIA-NEPJUHHUSA-N 1 0 233.352 0.867 10 0 BCAERO CCn1ncnc1CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000193339329 347395390 /nfs/dbraw/zinc/39/53/90/347395390.db2.gz UQYHOPHMRZGIPW-LLVKDONJSA-N 1 0 235.335 0.578 10 0 BCAERO CC(C)(O)C[N@@H+]1CCC[C@H](N2CCOCC2)C1 ZINC000382742385 347398940 /nfs/dbraw/zinc/39/89/40/347398940.db2.gz MMIWDHUPYMVRQV-LBPRGKRZSA-N 1 0 242.363 0.554 10 0 BCAERO CS(=O)(=O)[C@@H]1CCC[C@@]12C[C@H]2C[NH3+] ZINC000250940586 362827766 /nfs/dbraw/zinc/82/77/66/362827766.db2.gz IQXOVGMMJVDOQK-YIZRAAEISA-N 1 0 203.307 0.549 10 0 BCAERO Cc1ccccc1CC(=O)NCCOCC[NH3+] ZINC000104315149 179259500 /nfs/dbraw/zinc/25/95/00/179259500.db2.gz ZKCHRTSRMUWXDG-UHFFFAOYSA-N 1 0 236.315 0.629 10 0 BCAERO C[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C[C@H]1[NH3+] ZINC000616569110 347575555 /nfs/dbraw/zinc/57/55/55/347575555.db2.gz HXWMNRMOKLVQMG-CMPLNLGQSA-N 1 0 239.363 0.524 10 0 BCAERO C[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1[NH3+] ZINC000616569111 347575672 /nfs/dbraw/zinc/57/56/72/347575672.db2.gz HXWMNRMOKLVQMG-JQWIXIFHSA-N 1 0 239.363 0.524 10 0 BCAERO CC(C)=C[C@@H]([NH3+])[C@H]1CCS(=O)(=O)C1 ZINC000149993150 347584805 /nfs/dbraw/zinc/58/48/05/347584805.db2.gz WYLHTYWWFNFZTD-DTWKUNHWSA-N 1 0 203.307 0.715 10 0 BCAERO CC(C)S(=O)(=O)NCC[C@](C)([NH3+])C(F)F ZINC000669380966 537991510 /nfs/dbraw/zinc/99/15/10/537991510.db2.gz UNTWFLMIAQDUFZ-QMMMGPOBSA-N 1 0 244.307 0.687 10 0 BCAERO CSCCCCNC(=O)[C@H]1C[NH2+]CCOC1 ZINC000591616714 347679555 /nfs/dbraw/zinc/67/95/55/347679555.db2.gz PPLUYLLXYCSXLY-JTQLQIEISA-N 1 0 246.376 0.482 10 0 BCAERO CS[C@@H]1CC[C@H]1[NH2+]C1CCN(CCO)CC1 ZINC000591835647 347703173 /nfs/dbraw/zinc/70/31/73/347703173.db2.gz ZHLRAUZUVWSGRE-VXGBXAGGSA-N 1 0 244.404 0.927 10 0 BCAERO C[C@@H](Nc1cnn(C)c(=O)c1Cl)[C@H](C)[NH3+] ZINC000394529925 323152694 /nfs/dbraw/zinc/15/26/94/323152694.db2.gz PXXTVKBIMVHYHQ-NTSWFWBYSA-N 1 0 230.699 0.581 10 0 BCAERO COC[C@]1(C(=O)NCCCSC)CCC[NH2+]1 ZINC000591592598 347672542 /nfs/dbraw/zinc/67/25/42/347672542.db2.gz AZKWFDRDFDZYLC-NSHDSACASA-N 1 0 246.376 0.624 10 0 BCAERO CC[C@@H](NC(=O)[C@@H]1CCC[NH2+][C@@H]1C)C(=O)OC ZINC000592214894 347762874 /nfs/dbraw/zinc/76/28/74/347762874.db2.gz SURKLWVYKRRKRY-OPRDCNLKSA-N 1 0 242.319 0.442 10 0 BCAERO Cc1ccccc1C[NH2+][C@H]1CC(=O)NC1=O ZINC000048265856 179283861 /nfs/dbraw/zinc/28/38/61/179283861.db2.gz AZMWFXXLKJKJSY-JTQLQIEISA-N 1 0 218.256 0.500 10 0 BCAERO CC(C)C[NH2+]C1CCN(CCO)CC1 ZINC000308507536 347747226 /nfs/dbraw/zinc/74/72/26/347747226.db2.gz JKMWEAYNSGMZMM-UHFFFAOYSA-N 1 0 200.326 0.689 10 0 BCAERO Cc1ccccc1C[C@@H](C)[NH2+][C@@H]1CC(=O)NC1=O ZINC000103034071 179288236 /nfs/dbraw/zinc/28/82/36/179288236.db2.gz PQCRHSOFBLLTKB-ZYHUDNBSSA-N 1 0 246.310 0.931 10 0 BCAERO CN(CC1CCOCC1)C(=O)[C@H]1CC[NH2+]C1 ZINC000082545464 347794147 /nfs/dbraw/zinc/79/41/47/347794147.db2.gz FOTDVQGFCJDDKU-NSHDSACASA-N 1 0 226.320 0.481 10 0 BCAERO COCC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C(F)(F)F ZINC000616569672 347805818 /nfs/dbraw/zinc/80/58/18/347805818.db2.gz BWXNATAOWVZQCY-NKWVEPMBSA-N 1 0 240.225 0.289 10 0 BCAERO Cc1ccccc1C[C@H](C)[NH2+][C@H]1CC(=O)NC1=O ZINC000037789230 179291391 /nfs/dbraw/zinc/29/13/91/179291391.db2.gz PQCRHSOFBLLTKB-JQWIXIFHSA-N 1 0 246.310 0.931 10 0 BCAERO CC(C)OCCCNC(=O)[C@H]1C[NH2+]C[C@H]1C ZINC000082559740 347829688 /nfs/dbraw/zinc/82/96/88/347829688.db2.gz WINWJMNFOJLAFB-MNOVXSKESA-N 1 0 228.336 0.773 10 0 BCAERO Cc1ccccc1NC(=O)[C@@H]1C[NH2+][C@H](C)CN1 ZINC000062814256 179301690 /nfs/dbraw/zinc/30/16/90/179301690.db2.gz ANBQGZDCBSIAPR-PWSUYJOCSA-N 1 0 233.315 0.883 10 0 BCAERO COCC(=O)N1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000616569855 347850507 /nfs/dbraw/zinc/85/05/07/347850507.db2.gz CTHCRVGUXYHMOY-RQJHMYQMSA-N 1 0 240.225 0.371 10 0 BCAERO COCC(=O)N[C@H]1C[NH2+]CC[C@H]1CC(C)C ZINC000616570161 347914473 /nfs/dbraw/zinc/91/44/73/347914473.db2.gz MGBACRMQVGZXCX-QWRGUYRKSA-N 1 0 228.336 0.773 10 0 BCAERO COC(=O)[C@@H]1CCCN(C(=O)CC[C@@H](C)[NH3+])C1 ZINC000593912089 347969864 /nfs/dbraw/zinc/96/98/64/347969864.db2.gz XBIOFFDTYVEIRR-NXEZZACHSA-N 1 0 242.319 0.525 10 0 BCAERO C[NH2+]C[C@H](C)C(=O)N1CCC[C@@H](C(=O)OC)C1 ZINC000593911439 347970126 /nfs/dbraw/zinc/97/01/26/347970126.db2.gz DLEUPLJGPLWFRH-VHSXEESVSA-N 1 0 242.319 0.254 10 0 BCAERO [NH3+]C[C@@H]1CCCN1S(=O)(=O)N1CCCCC1 ZINC000082591532 347945002 /nfs/dbraw/zinc/94/50/02/347945002.db2.gz IIQZJHJPWDSHJF-JTQLQIEISA-N 1 0 247.364 0.140 10 0 BCAERO CO[C@H]1C[NH2+][C@@H](C(=O)Nc2cncc(C)c2)C1 ZINC000228509639 349981002 /nfs/dbraw/zinc/98/10/02/349981002.db2.gz MVRIKNCZIXTALV-GHMZBOCLSA-N 1 0 235.287 0.705 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N(CCC)CC(=O)N(C)C ZINC000038101144 348060355 /nfs/dbraw/zinc/06/03/55/348060355.db2.gz YAEGQFIONHUIOO-JTQLQIEISA-N 1 0 243.351 0.441 10 0 BCAERO Cc1cccnc1C(=O)N1CC[C@@H]([NH3+])[C@@H]1C ZINC000309301018 179361107 /nfs/dbraw/zinc/36/11/07/179361107.db2.gz MBOSFHCEAVNSSU-VHSXEESVSA-N 1 0 219.288 0.952 10 0 BCAERO COC[C@H](C[N@@H+]1CCC[C@@H](C(=O)OC)C1)OC ZINC000595307680 348223123 /nfs/dbraw/zinc/22/31/23/348223123.db2.gz WTXZTKFWJPKXLC-MNOVXSKESA-N 1 0 245.319 0.533 10 0 BCAERO COc1nsc(C[NH2+]CCO)c1Cl ZINC000616571538 348200038 /nfs/dbraw/zinc/20/00/38/348200038.db2.gz LTJZTBJYFCJLDW-UHFFFAOYSA-N 1 0 222.697 0.887 10 0 BCAERO CC[C@@H]1CS[C@@H]2CS(=O)(=O)CC[C@H]2[NH2+]1 ZINC000251336278 362863656 /nfs/dbraw/zinc/86/36/56/362863656.db2.gz ODJYCNWKYTXAEN-IWSPIJDZSA-N 1 0 235.374 0.657 10 0 BCAERO CC(C)C[C@@H]([NH3+])C(=O)N(C)[C@H]1C[C@@H](C(N)=O)C1 ZINC000638700040 352538548 /nfs/dbraw/zinc/53/85/48/352538548.db2.gz VZQXUSQTBZVLSK-KXUCPTDWSA-N 1 0 241.335 0.082 10 0 BCAERO C[C@H]1CCN(S(=O)(=O)[C@H]2CC[NH2+]C2)C1 ZINC000251532942 362884656 /nfs/dbraw/zinc/88/46/56/362884656.db2.gz AWRPTRMWHBTCTK-IUCAKERBSA-N 1 0 218.322 0.020 10 0 BCAERO CS[C@H](C)C(=O)N1[C@H](C)C[NH2+]C[C@@H]1C ZINC000152909946 362889869 /nfs/dbraw/zinc/88/98/69/362889869.db2.gz BSSNTFKVYDAEKY-HRDYMLBCSA-N 1 0 216.350 0.947 10 0 BCAERO CC(C)C[NH2+]C[C@@H](O)C(=O)N1CCCC1 ZINC000669382060 538002333 /nfs/dbraw/zinc/00/23/33/538002333.db2.gz FLQZSADFJYUHSQ-SNVBAGLBSA-N 1 0 214.309 0.215 10 0 BCAERO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H]([NH3+])C1)C(=O)[O-] ZINC000251736962 362902372 /nfs/dbraw/zinc/90/23/72/362902372.db2.gz CQEVSWSLLQAJNG-VGMNWLOBSA-N 1 0 200.282 0.376 10 0 BCAERO CCCNC(=O)C[N@@H+]1CCC[C@@H](O)[C@@H]1C ZINC000395015801 323185183 /nfs/dbraw/zinc/18/51/83/323185183.db2.gz NRQYYDNFPMOQQT-VHSXEESVSA-N 1 0 214.309 0.358 10 0 BCAERO CC(C)(C)[S@@](=O)CCNC(=O)CCC[NH3+] ZINC000236731195 187396438 /nfs/dbraw/zinc/39/64/38/187396438.db2.gz BEWHWXBAOIKCKC-HNNXBMFYSA-N 1 0 234.365 0.389 10 0 BCAERO COC(=O)[C@@H]1CCCN(C(=O)[C@H]2C[C@H]([NH3+])C2)C1 ZINC000595956521 348404716 /nfs/dbraw/zinc/40/47/16/348404716.db2.gz KHCLRAJRDNHKHI-OPRDCNLKSA-N 1 0 240.303 0.135 10 0 BCAERO CC(C)N1CCC(=O)[C@]2(C[NH2+]C[C@H]2C)C1 ZINC000725245969 538004790 /nfs/dbraw/zinc/00/47/90/538004790.db2.gz OLVJWQYSFIUAGV-ZYHUDNBSSA-N 1 0 210.321 0.895 10 0 BCAERO C[C@@H]1C[NH2+]C[C@]12CN(CC1CC1)CCC2=O ZINC000725246177 538004950 /nfs/dbraw/zinc/00/49/50/538004950.db2.gz RECVREKVRVPUGT-MFKMUULPSA-N 1 0 222.332 0.897 10 0 BCAERO COC(=O)[C@@H]1CC[C@H](O)[C@@]2(C[NH2+]C[C@@H]2C)C1 ZINC000725246220 538006243 /nfs/dbraw/zinc/00/62/43/538006243.db2.gz RNKHCUXQKLTXND-MIZYBKAJSA-N 1 0 227.304 0.546 10 0 BCAERO O=C([C@@H](O)C[NH2+]Cc1ccccc1)N1CCCC1 ZINC000669382996 538006237 /nfs/dbraw/zinc/00/62/37/538006237.db2.gz QIDVKLLRNKWAGM-ZDUSSCGKSA-N 1 0 248.326 0.760 10 0 BCAERO C[C@@H]([NH2+]C[C@@H](O)C(C)(C)C)C(=O)N(C)C ZINC000308778496 348547755 /nfs/dbraw/zinc/54/77/55/348547755.db2.gz BNUMHINGDNJQQP-RKDXNWHRSA-N 1 0 216.325 0.460 10 0 BCAERO C[C@@H]1C[NH2+]C[C@]12OC(C)(C)OC[C@@H]2O ZINC000725246047 538007353 /nfs/dbraw/zinc/00/73/53/538007353.db2.gz QLFRTQYVDLDCCV-WEDXCCLWSA-N 1 0 201.266 0.108 10 0 BCAERO C[C@H]([NH3+])CC(=O)NC1CCC(O)CC1 ZINC000037475677 348619885 /nfs/dbraw/zinc/61/98/85/348619885.db2.gz PQDJCNPGUZHFDQ-UEJVZZJDSA-N 1 0 200.282 0.143 10 0 BCAERO Cc1cnc(NCCOC2CC[NH2+]CC2)nc1 ZINC000104383238 179633970 /nfs/dbraw/zinc/63/39/70/179633970.db2.gz UJLBRQJHDDSDSZ-UHFFFAOYSA-N 1 0 236.319 0.966 10 0 BCAERO Cc1cnc([C@H](C)NC(=O)C2C[NH2+]C2)s1 ZINC000126134142 179650379 /nfs/dbraw/zinc/65/03/79/179650379.db2.gz SNEPVKFOAVAPRK-ZETCQYMHSA-N 1 0 225.317 0.848 10 0 BCAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CCOCCO ZINC000082849780 348843077 /nfs/dbraw/zinc/84/30/77/348843077.db2.gz KQDTZZWGBWGLBS-VXGBXAGGSA-N 1 0 228.336 0.164 10 0 BCAERO CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)[NH2+]C ZINC000054071687 348873828 /nfs/dbraw/zinc/87/38/28/348873828.db2.gz VGRAIZYZNVZHKZ-NXEZZACHSA-N 1 0 213.325 0.195 10 0 BCAERO C[NH2+][C@H](C)C(=O)NCCCOC[C@H]1CCCO1 ZINC000054076196 348878687 /nfs/dbraw/zinc/87/86/87/348878687.db2.gz ICIDOJOSPXDBLR-GHMZBOCLSA-N 1 0 244.335 0.296 10 0 BCAERO CNC(=O)c1cccc(NC(=O)[C@@H](C)[NH2+]C)c1C ZINC000054074388 348889419 /nfs/dbraw/zinc/88/94/19/348889419.db2.gz NLHSKZJKFUCNAB-SECBINFHSA-N 1 0 249.314 0.901 10 0 BCAERO CNC(=O)c1ccc(C)c(NC(=O)[C@@H](C)[NH2+]C)c1 ZINC000054074264 348889511 /nfs/dbraw/zinc/88/95/11/348889511.db2.gz BMFYNXVBLXHDGU-SECBINFHSA-N 1 0 249.314 0.901 10 0 BCAERO CCNC(=O)c1ccc(NC(=O)[C@@H](C)[NH2+]C)cc1 ZINC000054074300 348889655 /nfs/dbraw/zinc/88/96/55/348889655.db2.gz SPMKLQPSVCSPGV-SECBINFHSA-N 1 0 249.314 0.983 10 0 BCAERO CC[C@H](C)[C@H](NC(=O)[C@@H](C)[NH2+]C)C(=O)OC ZINC000054074353 348889690 /nfs/dbraw/zinc/88/96/90/348889690.db2.gz FJQGBCKUPMYCMG-YIZRAAEISA-N 1 0 230.308 0.298 10 0 BCAERO C[NH2+][C@H](C)C(=O)Nc1cnn(CCOC)c1 ZINC000054074311 348889717 /nfs/dbraw/zinc/88/97/17/348889717.db2.gz KNTFYKGYNBXQOB-MRVPVSSYSA-N 1 0 226.280 0.076 10 0 BCAERO CCOC(=O)CNC(=O)C[C@H]1CCC[NH2+]C1 ZINC000054307510 348974030 /nfs/dbraw/zinc/97/40/30/348974030.db2.gz VOGCZENFUDAMBZ-SECBINFHSA-N 1 0 228.292 0.055 10 0 BCAERO Cc1cc(CNC(=O)C[C@@H]2CCC[NH2+]C2)no1 ZINC000054309016 348975341 /nfs/dbraw/zinc/97/53/41/348975341.db2.gz YEQFTCCYEYPLNI-JTQLQIEISA-N 1 0 237.303 0.989 10 0 BCAERO C[C@@H]1CC[C@H]([C@H]2CCC[NH2+]C2)[C@H](C(=O)[O-])[NH2+]1 ZINC000669385229 538019158 /nfs/dbraw/zinc/01/91/58/538019158.db2.gz OWIVQEKZZPOTIX-LMLFDSFASA-N 1 0 226.320 0.827 10 0 BCAERO Cc1cc([C@H]2CC[NH2+]C[C@@H]2N)cc(N)[nH+]1 ZINC000669385069 538019347 /nfs/dbraw/zinc/01/93/47/538019347.db2.gz WHMRVVYPAUIWCY-ZJUUUORDSA-N 1 0 206.293 0.376 10 0 BCAERO CC[S@](=O)N1[C@H](C)C[NH2+][C@H](C)[C@H]1C ZINC000401224146 349043254 /nfs/dbraw/zinc/04/32/54/349043254.db2.gz CGGXUKGIJDOBPE-LHGDZMGGSA-N 1 0 204.339 0.741 10 0 BCAERO CC(C)[C@@H](C[NH3+])N1C[C@H](C)CS1(=O)=O ZINC000251846541 362936628 /nfs/dbraw/zinc/93/66/28/362936628.db2.gz RACBAUWWTFCGNB-DTWKUNHWSA-N 1 0 220.338 0.251 10 0 BCAERO COCC(=O)NCc1cccc([C@H](C)[NH3+])c1 ZINC000616573839 349073872 /nfs/dbraw/zinc/07/38/72/349073872.db2.gz UGLXGTOXUJQVNM-VIFPVBQESA-N 1 0 222.288 0.969 10 0 BCAERO C[NH2+]C[C@]1(O)CCN(c2ccccn2)C1 ZINC000616576410 349101449 /nfs/dbraw/zinc/10/14/49/349101449.db2.gz USCLRCWAEUSPOI-LLVKDONJSA-N 1 0 207.277 0.242 10 0 BCAERO CC(=O)N1CC2(CC[NH2+]CC2)C[C@@H](O)C1(C)C ZINC000616577074 349105088 /nfs/dbraw/zinc/10/50/88/349105088.db2.gz CXOGKZONBWQXPJ-LLVKDONJSA-N 1 0 240.347 0.748 10 0 BCAERO CC[C@H]1CCN(C(=O)CC(=O)OC)C[C@@H]1[NH3+] ZINC000616572608 349061892 /nfs/dbraw/zinc/06/18/92/349061892.db2.gz WXDCXVAVVRTIJZ-IUCAKERBSA-N 1 0 228.292 0.135 10 0 BCAERO CC[C@H]1CCN(C(=O)C2CCOCC2)C[C@H]1[NH3+] ZINC000616573046 349064518 /nfs/dbraw/zinc/06/45/18/349064518.db2.gz YQHKZYFUBJNTPA-CMPLNLGQSA-N 1 0 240.347 0.999 10 0 BCAERO CC[NH2+][C@H]1CCN(C(=O)CC(=O)OCC)C1 ZINC000616572442 349065850 /nfs/dbraw/zinc/06/58/50/349065850.db2.gz MTVJIBYBIIKIEN-VIFPVBQESA-N 1 0 228.292 0.150 10 0 BCAERO Cc1cc(N2CCC[C@@](O)(C[NH3+])C2)ncn1 ZINC000616578104 349123808 /nfs/dbraw/zinc/12/38/08/349123808.db2.gz JRMAVACLVYTEEA-LLVKDONJSA-N 1 0 222.292 0.075 10 0 BCAERO C[NH2+][C@@H]1CCC[C@@H](Oc2cccnc2)[C@@H]1O ZINC000616579405 349145980 /nfs/dbraw/zinc/14/59/80/349145980.db2.gz QYHFCSVENKWZOZ-IJLUTSLNSA-N 1 0 222.288 0.962 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)N2CCCC[C@H]2C[NH3+])O1 ZINC000251666366 349189421 /nfs/dbraw/zinc/18/94/21/349189421.db2.gz GGMHNGMVEDTHFZ-OUAUKWLOSA-N 1 0 226.320 0.894 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)O1 ZINC000251661859 349189425 /nfs/dbraw/zinc/18/94/25/349189425.db2.gz KVAOHJSPWKKANU-GWOFURMSSA-N 1 0 226.320 0.668 10 0 BCAERO CC[C@H](CC(N)=[NH2+])n1cc(S(C)(=O)=O)cn1 ZINC000725251429 538030240 /nfs/dbraw/zinc/03/02/40/538030240.db2.gz HZYPSBZUXIOHDK-SSDOTTSWSA-N 1 0 244.320 0.564 10 0 BCAERO COC(=O)CCCC[NH2+][C@@H]1CCC(=O)N[C@H]1C ZINC000599396479 349171669 /nfs/dbraw/zinc/17/16/69/349171669.db2.gz AXCGWPOBYKJIJM-VHSXEESVSA-N 1 0 242.319 0.586 10 0 BCAERO COC(=O)CCCC[NH2+][C@H]1CCC(=O)N[C@H]1C ZINC000599396478 349171772 /nfs/dbraw/zinc/17/17/72/349171772.db2.gz AXCGWPOBYKJIJM-UWVGGRQHSA-N 1 0 242.319 0.586 10 0 BCAERO C[C@@H](CC(N)=[NH2+])n1cc(S(C)(=O)=O)cn1 ZINC000725252440 538033125 /nfs/dbraw/zinc/03/31/25/538033125.db2.gz SRMANZMKHVLZDE-LURJTMIESA-N 1 0 230.293 0.174 10 0 BCAERO CCC[NH2+]CCCn1cc(S(C)(=O)=O)cn1 ZINC000725253234 538035976 /nfs/dbraw/zinc/03/59/76/538035976.db2.gz SBBQNRPZZAGNFR-UHFFFAOYSA-N 1 0 245.348 0.676 10 0 BCAERO CS(=O)(=O)c1cnn(C[C@@H]2CCC[NH2+]C2)c1 ZINC000725253228 538036032 /nfs/dbraw/zinc/03/60/32/538036032.db2.gz RRGVQNUZRMOHMA-SECBINFHSA-N 1 0 243.332 0.286 10 0 BCAERO CS(=O)(=O)c1cnn([C@@H]2CC[C@@H]([NH3+])C2)c1 ZINC000725253169 538036035 /nfs/dbraw/zinc/03/60/35/538036035.db2.gz RBLSBFCUXBFDMQ-HTQZYQBOSA-N 1 0 229.305 0.339 10 0 BCAERO C[NH+](C)[C@@H]1CCN(C2N=NC(=S)S2)C1 ZINC000062968397 349293392 /nfs/dbraw/zinc/29/33/92/349293392.db2.gz AZLIAYGYEJBCPP-ZCFIWIBFSA-N 1 0 230.362 0.967 10 0 BCAERO CC[NH2+][C@H](CC)Cn1cc(S(C)(=O)=O)cn1 ZINC000725253271 538036125 /nfs/dbraw/zinc/03/61/25/538036125.db2.gz SVMKVMWQFDNBRE-SECBINFHSA-N 1 0 245.348 0.675 10 0 BCAERO COCC[NH2+][C@@H]1CCCN2CCSC[C@H]12 ZINC000616580414 349257544 /nfs/dbraw/zinc/25/75/44/349257544.db2.gz XAFDGGLWXVSADA-GHMZBOCLSA-N 1 0 230.377 0.802 10 0 BCAERO C[C@H]1C[C@H](NC(=O)C2(C[NH3+])CCOCC2)CO1 ZINC000402052253 349277907 /nfs/dbraw/zinc/27/79/07/349277907.db2.gz NLAUWIGORRUHQV-UWVGGRQHSA-N 1 0 242.319 0.036 10 0 BCAERO Cc1n[nH]cc1C[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC000038083322 179855008 /nfs/dbraw/zinc/85/50/08/179855008.db2.gz BEUBYFUWDLWRRA-VIFPVBQESA-N 1 0 243.332 0.242 10 0 BCAERO C[C@@H](CC(N)=S)[N@@H+]1CC[C@@H](C)[C@H](O)C1 ZINC000299901446 349331803 /nfs/dbraw/zinc/33/18/03/349331803.db2.gz BEBHBDDEXCOXJD-HRDYMLBCSA-N 1 0 216.350 0.754 10 0 BCAERO Cc1cc(NC(=O)[C@@]2(C)CCC[NH2+]2)nn1C ZINC000300764756 349307031 /nfs/dbraw/zinc/30/70/31/349307031.db2.gz CQVPUVYIUXXHQW-LLVKDONJSA-N 1 0 222.292 0.809 10 0 BCAERO C[NH2+][C@@H]1CCC[C@H]1n1cc(S(C)(=O)=O)cn1 ZINC000725253594 538037999 /nfs/dbraw/zinc/03/79/99/538037999.db2.gz XXBRPVYDNWGXHX-NXEZZACHSA-N 1 0 243.332 0.600 10 0 BCAERO c1nc2c(c(N[C@H]3CC[NH2+]C3)n1)CCC2 ZINC000061277718 349373753 /nfs/dbraw/zinc/37/37/53/349373753.db2.gz DOCPXTBLEPTCPW-QMMMGPOBSA-N 1 0 204.277 0.739 10 0 BCAERO C=CC(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000062976468 349377315 /nfs/dbraw/zinc/37/73/15/349377315.db2.gz MOTJFYGJOVBUNQ-SNVBAGLBSA-N 1 0 210.277 0.106 10 0 BCAERO C=CC(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000062976467 349377323 /nfs/dbraw/zinc/37/73/23/349377323.db2.gz MOTJFYGJOVBUNQ-JTQLQIEISA-N 1 0 210.277 0.106 10 0 BCAERO C(c1nnc(C2CC2)[nH]1)N1CC[NH2+]CC1 ZINC000051658840 350015714 /nfs/dbraw/zinc/01/57/14/350015714.db2.gz MQQBABCTZZRCDI-UHFFFAOYSA-N 1 0 207.281 0.087 10 0 BCAERO CCOc1cncc(N(C)CCC[NH3+])n1 ZINC000070569973 350021738 /nfs/dbraw/zinc/02/17/38/350021738.db2.gz WYVJJHPSWLXKDV-UHFFFAOYSA-N 1 0 210.281 0.660 10 0 BCAERO Cn1cc(CNC(=O)[C@@]2(C)CCC[NH2+]2)cn1 ZINC000070619103 350028307 /nfs/dbraw/zinc/02/83/07/350028307.db2.gz HFZNABBQMIBTAY-LLVKDONJSA-N 1 0 222.292 0.178 10 0 BCAERO Cc1nc(CN2CC[C@@H]([NH3+])C2=O)cs1 ZINC000049660167 179957024 /nfs/dbraw/zinc/95/70/24/179957024.db2.gz DGVXBQHZIJPVDQ-MRVPVSSYSA-N 1 0 211.290 0.511 10 0 BCAERO Cc1nc(CNC(=O)[C@@H]2CCC[C@H]2[NH3+])no1 ZINC000226356108 179965859 /nfs/dbraw/zinc/96/58/59/179965859.db2.gz CCMCXGDJLOJVHW-HTQZYQBOSA-N 1 0 224.264 0.122 10 0 BCAERO C[NH2+][C@H](C)C(=O)NCc1scnc1C ZINC000070837756 350067926 /nfs/dbraw/zinc/06/79/26/350067926.db2.gz FTBOBDXWYWXRNB-SSDOTTSWSA-N 1 0 213.306 0.676 10 0 BCAERO C[NH2+][C@H]1CCN(c2ncc(Cl)cn2)C1 ZINC000150254107 350069688 /nfs/dbraw/zinc/06/96/88/350069688.db2.gz FLXGNJZXHLDCPI-QMMMGPOBSA-N 1 0 212.684 0.928 10 0 BCAERO CCCNC(=O)NC[C@@H]([NH3+])[C@@H]1CCCOC1 ZINC000725255000 538050079 /nfs/dbraw/zinc/05/00/79/538050079.db2.gz NNNZFKMSTMBAFI-NXEZZACHSA-N 1 0 229.324 0.450 10 0 BCAERO C[C@H](O)CNC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000218875092 350106357 /nfs/dbraw/zinc/10/63/57/350106357.db2.gz FMKONZZTEJTSQB-DJLDLDEBSA-N 1 0 200.282 0.001 10 0 BCAERO CCCCNC(=O)NC[C@@H]([NH3+])C1CCOCC1 ZINC000725255140 538050509 /nfs/dbraw/zinc/05/05/09/538050509.db2.gz UMRMANMLMLYNFB-LLVKDONJSA-N 1 0 243.351 0.840 10 0 BCAERO C[C@]1(NC(=[NH2+])C2CC2)CCS(=O)(=O)C1 ZINC000062992534 350112589 /nfs/dbraw/zinc/11/25/89/350112589.db2.gz YRASEJIRYXKZRK-VIFPVBQESA-N 1 0 216.306 0.540 10 0 BCAERO NC(=O)C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000051769774 350098693 /nfs/dbraw/zinc/09/86/93/350098693.db2.gz CFGGENOZVPOCQP-WDEREUQCSA-N 1 0 226.320 0.487 10 0 BCAERO CCNC(=O)NC[C@@H]([NH3+])[C@H]1CCCOC1 ZINC000725255367 538051766 /nfs/dbraw/zinc/05/17/66/538051766.db2.gz ZZWCYGMLXJUUIR-DTWKUNHWSA-N 1 0 215.297 0.059 10 0 BCAERO CC(C)(C)[C@H](O)C[NH2+]C[C@H]1CCCS1(=O)=O ZINC000304246612 350150515 /nfs/dbraw/zinc/15/05/15/350150515.db2.gz POEDTKQHHGINCZ-NXEZZACHSA-N 1 0 249.376 0.560 10 0 BCAERO CC1CCC2(CC1)[C@@H]([NH3+])CS(=O)(=O)N2C ZINC000725256389 538055329 /nfs/dbraw/zinc/05/53/29/538055329.db2.gz IYIKPXIJXSTXQI-KYHHOPLUSA-N 1 0 232.349 0.538 10 0 BCAERO Cc1[nH+]c2cc(N)ccc2n1CCC(N)=O ZINC000052852861 180081052 /nfs/dbraw/zinc/08/10/52/180081052.db2.gz XCTNWEBCLQXXEX-UHFFFAOYSA-N 1 0 218.260 0.802 10 0 BCAERO Cc1[nH+]c2cc(N)ccc2n1[C@@H](C)C(N)=O ZINC000052852876 180081618 /nfs/dbraw/zinc/08/16/18/180081618.db2.gz AYJLEFQJMSPWLU-LURJTMIESA-N 1 0 218.260 0.973 10 0 BCAERO Cc1c(Cl)cnn1[C@H](C)[C@@H]([NH3+])C(N)=O ZINC000725256083 538055419 /nfs/dbraw/zinc/05/54/19/538055419.db2.gz SFNGDIPEDSSAME-IYSWYEEDSA-N 1 0 216.672 0.219 10 0 BCAERO Cc1ccnn1[C@H]1CC[C@]([NH3+])(C(N)=O)C1 ZINC000725256348 538055542 /nfs/dbraw/zinc/05/55/42/538055542.db2.gz GEFNTNAFTVKVLB-WCBMZHEXSA-N 1 0 208.265 0.099 10 0 BCAERO CCCC1(CCC)[C@@H]([NH3+])CS(=O)(=O)N1C ZINC000725256379 538055720 /nfs/dbraw/zinc/05/57/20/538055720.db2.gz IKALMYUYNHGQPB-VIFPVBQESA-N 1 0 234.365 0.928 10 0 BCAERO COC(=O)c1cncnc1NC1CC[NH2+]CC1 ZINC000304160079 350141900 /nfs/dbraw/zinc/14/19/00/350141900.db2.gz LCBFQLVNPZOEAB-UHFFFAOYSA-N 1 0 236.275 0.427 10 0 BCAERO CCC[C@]1(C)[C@H]([NH3+])CS(=O)(=O)N1C ZINC000725256338 538056897 /nfs/dbraw/zinc/05/68/97/538056897.db2.gz FXPDVLAIMOOQKE-HTQZYQBOSA-N 1 0 206.311 0.148 10 0 BCAERO CCn1cnnc1C[NH2+]C[C@@H](O)C(C)(C)C ZINC000304234354 350145703 /nfs/dbraw/zinc/14/57/03/350145703.db2.gz LUDVYCSBBLAZLV-SECBINFHSA-N 1 0 226.324 0.795 10 0 BCAERO Cn1ccc(CC[NH2+]C[C@H](O)C(C)(C)C)n1 ZINC000304226459 350146161 /nfs/dbraw/zinc/14/61/61/350146161.db2.gz JFSAKQSTVHOUCU-NSHDSACASA-N 1 0 225.336 0.959 10 0 BCAERO CCCC[C@]1(C)[C@@H]([NH3+])CS(=O)(=O)N1C ZINC000725256290 538057103 /nfs/dbraw/zinc/05/71/03/538057103.db2.gz BDXCELTWULMOPL-DTWKUNHWSA-N 1 0 220.338 0.538 10 0 BCAERO CCN1C2(CCCC2)[C@H]([NH3+])CS1(=O)=O ZINC000725256503 538057372 /nfs/dbraw/zinc/05/73/72/538057372.db2.gz QWNMTDSEIFRABN-MRVPVSSYSA-N 1 0 218.322 0.292 10 0 BCAERO CC(C)OC[C@@H](O)C[N@H+]1[C@H](C)COC[C@@H]1C ZINC000133182239 191038218 /nfs/dbraw/zinc/03/82/18/191038218.db2.gz JTWPCXIZRUDKPD-TUAOUCFPSA-N 1 0 231.336 0.882 10 0 BCAERO CN1C2(CCCCC2)[C@@H]([NH3+])CS1(=O)=O ZINC000725256598 538058334 /nfs/dbraw/zinc/05/83/34/538058334.db2.gz XCDWFEWWXFBTRG-QMMMGPOBSA-N 1 0 218.322 0.292 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N[C@H]1CO[C@@H](C)C1 ZINC000402333068 350179767 /nfs/dbraw/zinc/17/97/67/350179767.db2.gz OBUAUPSDFIWKOU-YIZRAAEISA-N 1 0 200.282 0.407 10 0 BCAERO Cc1csc2nc(C)c(C[NH2+]CC(N)=O)n12 ZINC000037183895 180117403 /nfs/dbraw/zinc/11/74/03/180117403.db2.gz DEXDWZDHZYJDGU-UHFFFAOYSA-N 1 0 238.316 0.588 10 0 BCAERO CCOC(=O)[C@H]1CC2(CC[C@@H]1[NH3+])OCCO2 ZINC000034318007 350169038 /nfs/dbraw/zinc/16/90/38/350169038.db2.gz QJZHUCODCXWUKO-IUCAKERBSA-N 1 0 229.276 0.420 10 0 BCAERO CCCn1nnc(C[NH2+]C)c1-c1ccnn1C ZINC000725257797 538067458 /nfs/dbraw/zinc/06/74/58/538067458.db2.gz XAABWJCCNVTSCW-UHFFFAOYSA-N 1 0 234.307 0.808 10 0 BCAERO Cc1ncc(N2CCC[NH2+]CC2)nc1C ZINC000062203460 180163493 /nfs/dbraw/zinc/16/34/93/180163493.db2.gz NZBXXKMOQKARQU-UHFFFAOYSA-N 1 0 206.293 0.893 10 0 BCAERO C[NH2+]Cc1nnn(CCF)c1-c1ccnn1C ZINC000725257775 538067855 /nfs/dbraw/zinc/06/78/55/538067855.db2.gz WEEIXQZESIOKRR-UHFFFAOYSA-N 1 0 238.270 0.368 10 0 BCAERO CC[C@@H](C(N)=S)[N@@H+]1CCC[C@@H](O)C1 ZINC000221298707 350205002 /nfs/dbraw/zinc/20/50/02/350205002.db2.gz LRUPCNKIGNJZCV-SFYZADRCSA-N 1 0 202.323 0.508 10 0 BCAERO Cc1nccc(CN2CCC[NH2+]CCC2)n1 ZINC000045007825 180184071 /nfs/dbraw/zinc/18/40/71/180184071.db2.gz ANRDWDOHSBARIY-UHFFFAOYSA-N 1 0 220.320 0.970 10 0 BCAERO Cc1nccc(CNC(=O)C[C@H](C)[NH3+])n1 ZINC000038038180 180188079 /nfs/dbraw/zinc/18/80/79/180188079.db2.gz NVUDERGMPWVEGZ-ZETCQYMHSA-N 1 0 208.265 0.139 10 0 BCAERO Cn1c(CN2CC[NH2+]CC2)nnc1C1CC1 ZINC000221572491 350214658 /nfs/dbraw/zinc/21/46/58/350214658.db2.gz GTLOXQXWRDHKOG-UHFFFAOYSA-N 1 0 221.308 0.098 10 0 BCAERO Nc1cccnc1CNc1ccnn1C1C[NH2+]C1 ZINC000725258565 538076748 /nfs/dbraw/zinc/07/67/48/538076748.db2.gz SNQJPVWOWHVPPH-UHFFFAOYSA-N 1 0 244.302 0.617 10 0 BCAERO CC(=O)CCC(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725258537 538076096 /nfs/dbraw/zinc/07/60/96/538076096.db2.gz RSZRVXIUNGPZID-UHFFFAOYSA-N 1 0 236.275 0.335 10 0 BCAERO CCC[S@](N)(=O)=Nc1ccnn1C1C[NH2+]C1 ZINC000725258659 538076479 /nfs/dbraw/zinc/07/64/79/538076479.db2.gz WGHPRGWYJMLVMJ-MRXNPFEDSA-N 1 0 243.336 0.411 10 0 BCAERO Cc1nccn1CC[N@@H+](C)CC1CC(O)C1 ZINC000084454067 180247646 /nfs/dbraw/zinc/24/76/46/180247646.db2.gz GVCQOZGDRFNMLC-UHFFFAOYSA-N 1 0 223.320 0.894 10 0 BCAERO CCc1nsc(N2CC[NH2+]C[C@H]2C)n1 ZINC000083670419 350284284 /nfs/dbraw/zinc/28/42/84/350284284.db2.gz NATDBTGPOOJUGT-SSDOTTSWSA-N 1 0 212.322 0.899 10 0 BCAERO CS(=O)(=O)C[C@@H]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000725261703 538087106 /nfs/dbraw/zinc/08/71/06/538087106.db2.gz DADDTTHNDVLWOC-UTLUCORTSA-N 1 0 217.334 0.809 10 0 BCAERO Cc1nccn1CCOC1CC[NH2+]CC1 ZINC000049331012 180262753 /nfs/dbraw/zinc/26/27/53/180262753.db2.gz GRZNOGAKOFEOCN-UHFFFAOYSA-N 1 0 209.293 0.960 10 0 BCAERO Cc1nccn1C[C@H]1CCC[N@@H+]1[C@H]1CCNC1=O ZINC000245703920 180268130 /nfs/dbraw/zinc/26/81/30/180268130.db2.gz WLEGFJWKVGQNLC-NEPJUHHUSA-N 1 0 248.330 0.544 10 0 BCAERO C[NH2+][C@H](C)[C@H](C)[C@H]1CCS(=O)(=O)C1 ZINC000038085404 350304223 /nfs/dbraw/zinc/30/42/23/350304223.db2.gz NSAYVBOQIWPFKS-YIZRAAEISA-N 1 0 205.323 0.665 10 0 BCAERO C[NH2+][C@H](C)[C@H](C)[C@@H]1CCS(=O)(=O)C1 ZINC000038085402 350304545 /nfs/dbraw/zinc/30/45/45/350304545.db2.gz NSAYVBOQIWPFKS-DJLDLDEBSA-N 1 0 205.323 0.665 10 0 BCAERO [NH3+]CCC(=O)[C@@H]1CCO[C@]2(CCOC2)C1 ZINC000167898440 350311512 /nfs/dbraw/zinc/31/15/12/350311512.db2.gz HAWDMJWGWDKQRW-MWLCHTKSSA-N 1 0 213.277 0.490 10 0 BCAERO Cc1nccnc1[S@@](=O)[C@H]1CCC[NH2+]C1 ZINC000095068783 180283691 /nfs/dbraw/zinc/28/36/91/180283691.db2.gz SUUZZNFFMRXMSS-BJOHPYRUSA-N 1 0 225.317 0.645 10 0 BCAERO COC(=O)[C@@H]1CCCCN1C(=O)C[NH2+]C(C)C ZINC000037804409 350289788 /nfs/dbraw/zinc/28/97/88/350289788.db2.gz GDMVSTJPWHWYKN-JTQLQIEISA-N 1 0 242.319 0.539 10 0 BCAERO Cc1ncsc1CN1CCO[C@H](CO)C1 ZINC000128406996 180315298 /nfs/dbraw/zinc/31/52/98/180315298.db2.gz AFAATWKTHRQJKE-VIFPVBQESA-N 1 0 228.317 0.645 10 0 BCAERO O[C@]1(C(F)(F)Br)CC[NH2+]C1 ZINC000225640339 350369112 /nfs/dbraw/zinc/36/91/12/350369112.db2.gz LYCRLRLMGSDMKF-SCSAIBSYSA-N 1 0 216.025 0.699 10 0 BCAERO Cc1nn(C)c(C)c1NC(=O)[C@@H](C)C[NH3+] ZINC000054344901 180344275 /nfs/dbraw/zinc/34/42/75/180344275.db2.gz JDASPWNZROGKIH-LURJTMIESA-N 1 0 210.281 0.570 10 0 BCAERO Cc1nn(C)c(C)c1[C@@H](C[NH3+])N1CCOCC1 ZINC000053994317 180347088 /nfs/dbraw/zinc/34/70/88/180347088.db2.gz DGAMHAVHAZPNAW-LLVKDONJSA-N 1 0 238.335 0.369 10 0 BCAERO Cc1nn(C)c(N(C)C[C@@H](C)O)c1C[NH3+] ZINC000051839143 180350484 /nfs/dbraw/zinc/35/04/84/180350484.db2.gz ANMNMUMZKKZOBH-SSDOTTSWSA-N 1 0 212.297 0.004 10 0 BCAERO Cc1nn(C)c(N(C)Cc2nccn2C)c1C[NH3+] ZINC000062255013 180353281 /nfs/dbraw/zinc/35/32/81/180353281.db2.gz VDGVOIIXYOJBHE-UHFFFAOYSA-N 1 0 248.334 0.557 10 0 BCAERO Cc1nn(C)c(N2CCC[N@H+](C)CC2)c1C=O ZINC000034957037 180355467 /nfs/dbraw/zinc/35/54/67/180355467.db2.gz JNVUACHKCFBSGX-UHFFFAOYSA-N 1 0 236.319 0.683 10 0 BCAERO Cc1nn(C)c(N2CCC[C@H]2CO)c1C[NH3+] ZINC000042433217 180356863 /nfs/dbraw/zinc/35/68/63/180356863.db2.gz GFYQOYINVJKZIE-VIFPVBQESA-N 1 0 224.308 0.148 10 0 BCAERO C[C@H]([NH3+])CCC(=O)N1CCOC[C@@H]1C ZINC000069839204 350411977 /nfs/dbraw/zinc/41/19/77/350411977.db2.gz ZFFOVNTYPMRHSP-IUCAKERBSA-N 1 0 200.282 0.361 10 0 BCAERO Cc1nn(C)c(C)c1CN1CCC[C@@H]([NH3+])C1=O ZINC000076683300 180338207 /nfs/dbraw/zinc/33/82/07/180338207.db2.gz PYTCYLCCUQDHPV-LLVKDONJSA-N 1 0 236.319 0.487 10 0 BCAERO Cc1nn(C)c(C)c1CN1C[C@H]([NH3+])[C@@H](C)C1 ZINC000235677116 180338362 /nfs/dbraw/zinc/33/83/62/180338362.db2.gz ARLCNKLEZLEILW-UFBFGSQYSA-N 1 0 222.336 0.816 10 0 BCAERO Cc1nn(C)c(C)c1CN1CCC[C@@H]1C[NH3+] ZINC000020315812 180338383 /nfs/dbraw/zinc/33/83/83/180338383.db2.gz JFEICHMSVLKVHB-LLVKDONJSA-N 1 0 222.336 0.960 10 0 BCAERO CC(C)[NH2+]C[C@H]1Cn2c(nnc2C2CC2)CN1 ZINC000725265020 538092948 /nfs/dbraw/zinc/09/29/48/538092948.db2.gz SEOPXKROTLKDHC-JTQLQIEISA-N 1 0 235.335 0.625 10 0 BCAERO O=C(C[C@@H]1COCC[NH2+]1)C1CCOCC1 ZINC000226759162 350453057 /nfs/dbraw/zinc/45/30/57/350453057.db2.gz KOYGQTSICOCFFL-SNVBAGLBSA-N 1 0 213.277 0.361 10 0 BCAERO Cc1nn(C)cc1[C@@H]1[C@H](C[NH3+])CC[N@@H+]1C ZINC000082946467 180381180 /nfs/dbraw/zinc/38/11/80/180381180.db2.gz OUZLXPPOTDQXKL-ONGXEEELSA-N 1 0 208.309 0.680 10 0 BCAERO c1nnn(C2CC[NH2+]CC2)c1-c1cnccn1 ZINC000725266105 538094155 /nfs/dbraw/zinc/09/41/55/538094155.db2.gz MRRFHOGGISIXDM-UHFFFAOYSA-N 1 0 230.275 0.660 10 0 BCAERO Cc1nn(CCC(=O)N(C)C)c(C)c1C[NH3+] ZINC000037898278 180387631 /nfs/dbraw/zinc/38/76/31/180387631.db2.gz QNBGTCJLTPZFAM-UHFFFAOYSA-N 1 0 224.308 0.437 10 0 BCAERO c1nnn([C@H]2CCC[NH2+]C2)c1-c1cncnc1 ZINC000725266216 538094910 /nfs/dbraw/zinc/09/49/10/538094910.db2.gz ZIXMEKGXDPPFAA-JTQLQIEISA-N 1 0 230.275 0.660 10 0 BCAERO COC(=O)[C@H](C1CC1)[N@@H+]1CC[C@H](CCO)C1 ZINC000163497690 350523267 /nfs/dbraw/zinc/52/32/67/350523267.db2.gz ZHONATUABGLCFN-KOLCDFICSA-N 1 0 227.304 0.642 10 0 BCAERO C[C@H]([NH3+])CCNc1ccnc(C(N)=O)c1 ZINC000063171608 350574794 /nfs/dbraw/zinc/57/47/94/350574794.db2.gz OYWBZZURRTZKDS-ZETCQYMHSA-N 1 0 208.265 0.330 10 0 BCAERO CC[C@H](COC)[NH2+][C@H]1CCCNC1=O ZINC000070624368 350554553 /nfs/dbraw/zinc/55/45/53/350554553.db2.gz WXNQPJCWDFXGDQ-BDAKNGLRSA-N 1 0 200.282 0.280 10 0 BCAERO CC(C)(C[NH3+])C(=O)NC[C@@H]1CCC[C@H]1O ZINC000133072063 187454729 /nfs/dbraw/zinc/45/47/29/187454729.db2.gz SKCMTEMQEYSIKY-DTWKUNHWSA-N 1 0 214.309 0.249 10 0 BCAERO OCC[N@@H+]1CCO[C@@H](c2cn[nH]c2)CC1 ZINC000616594199 350592677 /nfs/dbraw/zinc/59/26/77/350592677.db2.gz DEXYQKUQDJVLIF-SNVBAGLBSA-N 1 0 211.265 0.165 10 0 BCAERO Nc1ccc([C@@H]2CCN(CC[NH3+])CCO2)cc1 ZINC000616594911 350596075 /nfs/dbraw/zinc/59/60/75/350596075.db2.gz RMGTXWAIAAFRHB-ZDUSSCGKSA-N 1 0 235.331 0.991 10 0 BCAERO Cc1nnc2sc([C@H]3CC[NH2+]C3)nn12 ZINC000082949427 180450575 /nfs/dbraw/zinc/45/05/75/180450575.db2.gz QASBCSHRMYFRBN-LURJTMIESA-N 1 0 209.278 0.571 10 0 BCAERO [NH3+]CCN1CCCOC[C@H]1c1ccncn1 ZINC000616598332 350659406 /nfs/dbraw/zinc/65/94/06/350659406.db2.gz WTIWBEYHLLVTAP-NSHDSACASA-N 1 0 222.292 0.199 10 0 BCAERO CCOc1cncc(N(C)C2CC([NH3+])C2)n1 ZINC000384985880 350698278 /nfs/dbraw/zinc/69/82/78/350698278.db2.gz ZRYDHAGLUVRHHC-UHFFFAOYSA-N 1 0 222.292 0.801 10 0 BCAERO CC(=O)N[C@@H]1CCCN(C(=O)[C@H](C)[C@H](C)[NH3+])C1 ZINC000248501274 187469028 /nfs/dbraw/zinc/46/90/28/187469028.db2.gz TUBOACXGNIRFPP-WCABBAIRSA-N 1 0 241.335 0.097 10 0 BCAERO Cn1nnc(Br)c1[C@H]1CC[C@@H]1[NH3+] ZINC000236143105 350730533 /nfs/dbraw/zinc/73/05/33/350730533.db2.gz ZAZFBFSWISIGKO-WHFBIAKZSA-N 1 0 231.097 0.782 10 0 BCAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NCc1cocn1 ZINC000397990813 362981895 /nfs/dbraw/zinc/98/18/95/362981895.db2.gz WXDMBLYDBLNJMA-WPRPVWTQSA-N 1 0 223.276 0.679 10 0 BCAERO C[C@H]1[NH2+]CCC[C@H]1C(=O)NCc1cocn1 ZINC000397990810 362982203 /nfs/dbraw/zinc/98/22/03/362982203.db2.gz WXDMBLYDBLNJMA-PSASIEDQSA-N 1 0 223.276 0.679 10 0 BCAERO NC(=O)c1ccccc1[C@H]1CC[N@H+](CCO)C1 ZINC000616614003 350822172 /nfs/dbraw/zinc/82/21/72/350822172.db2.gz ZINCXZHWILYXMC-JTQLQIEISA-N 1 0 234.299 0.567 10 0 BCAERO OCCN1CC[NH2+][C@@H](c2ccccc2CO)C1 ZINC000616600744 350783268 /nfs/dbraw/zinc/78/32/68/350783268.db2.gz LRNFIEAYFHQQBX-CYBMUJFWSA-N 1 0 236.315 0.118 10 0 BCAERO [NH3+]CCN1CCC[C@@H](c2cn[nH]c2)CC1 ZINC000616602241 350790994 /nfs/dbraw/zinc/79/09/94/350790994.db2.gz VXJKFCMHMGMZLH-SNVBAGLBSA-N 1 0 208.309 0.938 10 0 BCAERO [NH3+]CCN1CCCC[C@H](c2cnno2)C1 ZINC000616604483 350793562 /nfs/dbraw/zinc/79/35/62/350793562.db2.gz PVQJBGDBYZYFBU-VIFPVBQESA-N 1 0 210.281 0.598 10 0 BCAERO OCC[N@@H+]1CCCC[C@H](c2cn[nH]n2)C1 ZINC000616604931 350794029 /nfs/dbraw/zinc/79/40/29/350794029.db2.gz USOKLDJFSLRHAH-VIFPVBQESA-N 1 0 210.281 0.367 10 0 BCAERO NC(=O)c1ccccc1[C@H]1CCCN1CC[NH3+] ZINC000616607283 350800317 /nfs/dbraw/zinc/80/03/17/350800317.db2.gz HTROGXNGQIXUNM-GFCCVEGCSA-N 1 0 233.315 0.881 10 0 BCAERO CCNC(=S)N1CC[C@H]([NH+](C)C)[C@H]1C ZINC000306674843 350824891 /nfs/dbraw/zinc/82/48/91/350824891.db2.gz RIQDXWTZIXAGMD-BDAKNGLRSA-N 1 0 215.366 0.905 10 0 BCAERO CC(C)[C@H](C)[N@@H+]1CCC[C@](O)(CO)C1 ZINC000306674997 350823755 /nfs/dbraw/zinc/82/37/55/350823755.db2.gz RRVMSIZOPQFOQO-WDEREUQCSA-N 1 0 201.310 0.850 10 0 BCAERO OCC[N@@H+]1CC[C@@H](c2ccc(CO)cc2)C1 ZINC000616614813 350838587 /nfs/dbraw/zinc/83/85/87/350838587.db2.gz VTJXJLNSUXYXCL-CYBMUJFWSA-N 1 0 221.300 0.961 10 0 BCAERO C[C@H]1NC(=O)CC[C@@H]1[NH2+]C1CSC1 ZINC000306693123 350846138 /nfs/dbraw/zinc/84/61/38/350846138.db2.gz QUKVPJOMBHGIGB-SVRRBLITSA-N 1 0 200.307 0.359 10 0 BCAERO O=C(NC1C[NH2+]C1)[C@@H]1CCCC1(F)F ZINC000306698469 350847464 /nfs/dbraw/zinc/84/74/64/350847464.db2.gz CTEPXRIWMWGWSR-ZETCQYMHSA-N 1 0 204.220 0.510 10 0 BCAERO [NH3+]CCN1CCCC[C@H]1c1ccncn1 ZINC000616615899 350852574 /nfs/dbraw/zinc/85/25/74/350852574.db2.gz FCQZNZHCNCPETI-NSHDSACASA-N 1 0 206.293 0.962 10 0 BCAERO [NH3+][C@@H]1C[C@H]1NC(=O)c1c[nH]c(Br)c1 ZINC000306710476 350859339 /nfs/dbraw/zinc/85/93/39/350859339.db2.gz TUJJIPRFDKBKTJ-PHDIDXHHSA-N 1 0 244.092 0.607 10 0 BCAERO CC(C)[S@](=O)N1CCC[C@@H]([NH3+])[C@H]1C ZINC000306733746 350903322 /nfs/dbraw/zinc/90/33/22/350903322.db2.gz NKZSQKKLUSKNKM-KKFJDGPESA-N 1 0 204.339 0.870 10 0 BCAERO C[C@H]1[C@H](Sc2nnnn2C)CC[C@@H]1[NH3+] ZINC000252467799 350912261 /nfs/dbraw/zinc/91/22/61/350912261.db2.gz BSXGWTQGICDOBD-DSYKOEDSSA-N 1 0 213.310 0.428 10 0 BCAERO C[C@H](C(N)=S)[N@H+](C)[C@H]1CCO[C@H]1C ZINC000252744558 350914564 /nfs/dbraw/zinc/91/45/64/350914564.db2.gz NXBLUDFFCNBONQ-CSMHCCOUSA-N 1 0 202.323 0.770 10 0 BCAERO [NH3+]C[C@H]1CN([C@H]2CCSC2)CCO1 ZINC000252698507 350914627 /nfs/dbraw/zinc/91/46/27/350914627.db2.gz NLSAGQUQOXIPOZ-IUCAKERBSA-N 1 0 202.323 0.151 10 0 BCAERO C[C@@H]1C[C@H](C)[C@@H](C)[N@@H+]([C@H](CN)CO)C1 ZINC000253105500 350918982 /nfs/dbraw/zinc/91/89/82/350918982.db2.gz TUSXKCJBANABEX-LMLFDSFASA-N 1 0 200.326 0.672 10 0 BCAERO Nc1ncccc1C1CC[NH+](CCO)CC1 ZINC000616620046 350931513 /nfs/dbraw/zinc/93/15/13/350931513.db2.gz UQCSMPNCLMRZML-UHFFFAOYSA-N 1 0 221.304 0.836 10 0 BCAERO [NH3+]CCN(Cc1ccccc1)[C@@H]1COC[C@@H]1O ZINC000306748415 350934292 /nfs/dbraw/zinc/93/42/92/350934292.db2.gz KZYGUGTXYLNLPR-OLZOCXBDSA-N 1 0 236.315 0.207 10 0 BCAERO CC[S@](=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000306716422 350878672 /nfs/dbraw/zinc/87/86/72/350878672.db2.gz GBZRLWUOHJCXGG-ZANVPECISA-N 1 0 202.323 0.355 10 0 BCAERO N#Cc1ccc(NC[C@H]2C[NH2+]CCCO2)cn1 ZINC000389828042 350879729 /nfs/dbraw/zinc/87/97/29/350879729.db2.gz UDLNAKYMASOLPB-GFCCVEGCSA-N 1 0 232.287 0.744 10 0 BCAERO FC(F)(F)Cn1nnc2c1C[NH2+]CC2 ZINC000306723719 350890375 /nfs/dbraw/zinc/89/03/75/350890375.db2.gz HKXNZMJOFLXNMV-UHFFFAOYSA-N 1 0 206.171 0.486 10 0 BCAERO CC(C)(C)NC(=[NH2+])N1CCS(=O)CC1 ZINC000052039354 350891021 /nfs/dbraw/zinc/89/10/21/350891021.db2.gz GZOOCGWDUNUYJG-UHFFFAOYSA-N 1 0 217.338 0.374 10 0 BCAERO CNC(=O)CC[N@@H+]1C[C@@H](COC)OC(C)(C)C1 ZINC000343331729 350959523 /nfs/dbraw/zinc/95/95/23/350959523.db2.gz BJYULTVCOCIVBN-JTQLQIEISA-N 1 0 244.335 0.248 10 0 BCAERO CC1(C)CCN(C(N)=[NH2+])CC[S@@]1=O ZINC000306755982 350968960 /nfs/dbraw/zinc/96/89/60/350968960.db2.gz PUJIGGHACRZQMU-ZDUSSCGKSA-N 1 0 203.311 0.113 10 0 BCAERO C[C@@H]1C[C@H](C)C[N@@H+](CC[C@@H](N)C(N)=O)C1 ZINC000218546658 538099805 /nfs/dbraw/zinc/09/98/05/538099805.db2.gz NBPFSJLQCZKQHD-KXUCPTDWSA-N 1 0 213.325 0.167 10 0 BCAERO CC(C)(CO)S[C@@H]1COCC[C@H]1[NH3+] ZINC000306761898 350987795 /nfs/dbraw/zinc/98/77/95/350987795.db2.gz GGYHDHAXSBBKSO-HTQZYQBOSA-N 1 0 205.323 0.607 10 0 BCAERO Cc1csc([C@@H]2OC[C@H](C[NH3+])O2)n1 ZINC000159732516 350989218 /nfs/dbraw/zinc/98/92/18/350989218.db2.gz JOOHFWINUKNFPM-POYBYMJQSA-N 1 0 200.263 0.824 10 0 BCAERO Cn1nncc1C(=O)C[C@H]1CSCC[NH2+]1 ZINC000129203959 351009750 /nfs/dbraw/zinc/00/97/50/351009750.db2.gz HHVJAYIMFSMQHE-ZETCQYMHSA-N 1 0 226.305 0.093 10 0 BCAERO CC(CO)(CO)NC1=[NH+]CCCCC1 ZINC000129168385 351002600 /nfs/dbraw/zinc/00/26/00/351002600.db2.gz YLCDIWNVLFIXBD-UHFFFAOYSA-N 1 0 200.282 0.292 10 0 BCAERO Cn1nncc1C(=O)[C@@H]1CCCC[C@H]1[NH3+] ZINC000129189749 351004863 /nfs/dbraw/zinc/00/48/63/351004863.db2.gz NHQWJERCIRLAEE-HTQZYQBOSA-N 1 0 208.265 0.515 10 0 BCAERO NC(=O)[C@@H]([NH3+])Cc1cccc(F)c1Cl ZINC000159899696 351019240 /nfs/dbraw/zinc/01/92/40/351019240.db2.gz MEKINKANJRDLJP-ZETCQYMHSA-N 1 0 216.643 0.834 10 0 BCAERO C[C@@H](C[NH3+])N(C)c1cn[nH]c(=O)c1Cl ZINC000306781468 351026542 /nfs/dbraw/zinc/02/65/42/351026542.db2.gz JRLGHQOGPRZQAU-YFKPBYRVSA-N 1 0 216.672 0.207 10 0 BCAERO O[C@@H]1COC[C@H]1[NH2+]C1CCC2(CC1)OCCO2 ZINC000306783897 351034555 /nfs/dbraw/zinc/03/45/55/351034555.db2.gz GZUNKNAAKLGRHS-GHMZBOCLSA-N 1 0 243.303 0.021 10 0 BCAERO CCC[S@](=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000306806807 351059621 /nfs/dbraw/zinc/05/96/21/351059621.db2.gz KZDYMBJMDOFVBZ-RWEMILLDSA-N 1 0 202.323 0.211 10 0 BCAERO CC(C)[S@](=O)N1CC[NH2+]C(C)(C)C1 ZINC000306809424 351061384 /nfs/dbraw/zinc/06/13/84/351061384.db2.gz RYVJWXKCNOOMCN-ZDUSSCGKSA-N 1 0 204.339 0.742 10 0 BCAERO CO[C@H]1C[C@@H](CO)[N@H+](Cc2cnn(C)c2C)C1 ZINC000344027066 351010572 /nfs/dbraw/zinc/01/05/72/351010572.db2.gz HELPHUSZILOGOW-RYUDHWBXSA-N 1 0 239.319 0.310 10 0 BCAERO [NH3+]CCN1CCCC[C@@H](c2conn2)C1 ZINC000616629868 351101480 /nfs/dbraw/zinc/10/14/80/351101480.db2.gz QYIJDGNFWMSRKV-SECBINFHSA-N 1 0 210.281 0.598 10 0 BCAERO [NH3+]CCN1CCCC[C@@H](c2nnc[nH]2)C1 ZINC000616629861 351101937 /nfs/dbraw/zinc/10/19/37/351101937.db2.gz QYAQXPYKTCTVER-SECBINFHSA-N 1 0 209.297 0.333 10 0 BCAERO [NH3+]CCN1CCCC[C@H](c2cn[nH]n2)C1 ZINC000616627009 351107229 /nfs/dbraw/zinc/10/72/29/351107229.db2.gz FRWAJVDQHUMRBK-VIFPVBQESA-N 1 0 209.297 0.333 10 0 BCAERO [NH3+]CCN1CCC[C@H](c2cc[nH]n2)CC1 ZINC000616627159 351107702 /nfs/dbraw/zinc/10/77/02/351107702.db2.gz FDDVNVVMJDSFAI-JTQLQIEISA-N 1 0 208.309 0.938 10 0 BCAERO c1[nH]nnc1[C@@H]1C[N@H+](Cc2ccccc2)CCN1 ZINC000616632451 351110867 /nfs/dbraw/zinc/11/08/67/351110867.db2.gz OSTTTXXOBWMWFE-ZDUSSCGKSA-N 1 0 243.314 0.951 10 0 BCAERO OCCN1CC[NH2+][C@@H](c2ccc(CO)cc2)C1 ZINC000616632354 351110916 /nfs/dbraw/zinc/11/09/16/351110916.db2.gz OENHHNQQINZIAM-CYBMUJFWSA-N 1 0 236.315 0.118 10 0 BCAERO COC(=O)N1CC[NH2+]C[C@@H]1c1ccccc1N ZINC000616636369 351126203 /nfs/dbraw/zinc/12/62/03/351126203.db2.gz KMAOIVDQPIXTPL-LLVKDONJSA-N 1 0 235.287 0.982 10 0 BCAERO COc1ccccc1[C@H]1CN(CCO)CC[NH2+]1 ZINC000616632534 351112070 /nfs/dbraw/zinc/11/20/70/351112070.db2.gz SSHOKHNHCRFWFG-GFCCVEGCSA-N 1 0 236.315 0.634 10 0 BCAERO CN1CC[NH2+][C@H](c2cccc(CCO)c2)C1 ZINC000616632617 351112667 /nfs/dbraw/zinc/11/26/67/351112667.db2.gz NWKXMNYBAYQUPQ-ZDUSSCGKSA-N 1 0 220.316 0.798 10 0 BCAERO [NH3+][C@H]1CCN([S@@](=O)C2CCCC2)C1 ZINC000306811160 351077451 /nfs/dbraw/zinc/07/74/51/351077451.db2.gz WCJXWEXSBCBNOR-SDBXPKJASA-N 1 0 202.323 0.626 10 0 BCAERO [NH3+]CCN1CCC[C@@H](c2cccnn2)C1 ZINC000616621819 351084976 /nfs/dbraw/zinc/08/49/76/351084976.db2.gz ZMQWMSYKCOIZIL-SNVBAGLBSA-N 1 0 206.293 0.615 10 0 BCAERO C[C@H]1[C@@H]([NH2+]C2CSC2)CCS1(=O)=O ZINC000306818889 351086648 /nfs/dbraw/zinc/08/66/48/351086648.db2.gz FZNOYFGWAUAARR-XPUUQOCRSA-N 1 0 221.347 0.267 10 0 BCAERO C[C@@H]1C[NH+]=C(S[C@@H]2CCOC2=O)N1 ZINC000306820477 351087440 /nfs/dbraw/zinc/08/74/40/351087440.db2.gz DQQNXORAWVRHGB-PHDIDXHHSA-N 1 0 200.263 0.383 10 0 BCAERO C[NH+](C)[C@@H]1CCCCN(S(C)(=O)=O)C1 ZINC000616628223 351097451 /nfs/dbraw/zinc/09/74/51/351097451.db2.gz CZTYEEZCYZQXNM-SECBINFHSA-N 1 0 220.338 0.362 10 0 BCAERO CC(C)[N@@H+]1CCC[C@H](S(N)(=O)=O)CC1 ZINC000616628931 351099211 /nfs/dbraw/zinc/09/92/11/351099211.db2.gz RFAAGUJVLBLUFI-VIFPVBQESA-N 1 0 220.338 0.538 10 0 BCAERO [NH3+]CCN1CCCC[C@H](c2conn2)C1 ZINC000616628778 351099242 /nfs/dbraw/zinc/09/92/42/351099242.db2.gz QYIJDGNFWMSRKV-VIFPVBQESA-N 1 0 210.281 0.598 10 0 BCAERO NC(=O)N1CC[NH2+]C[C@@H]1c1cccc(CO)c1 ZINC000616639932 351146044 /nfs/dbraw/zinc/14/60/44/351146044.db2.gz SKEGZOPBEKNFQX-LLVKDONJSA-N 1 0 235.287 0.204 10 0 BCAERO Cn1cnc(Oc2nc(C[NH3+])cs2)n1 ZINC000306838201 351148797 /nfs/dbraw/zinc/14/87/97/351148797.db2.gz WUVRFDLTIAQNNJ-UHFFFAOYSA-N 1 0 211.250 0.523 10 0 BCAERO Cn1ncc(CC(=O)[C@H]2CCCC[NH2+]2)n1 ZINC000306839242 351149261 /nfs/dbraw/zinc/14/92/61/351149261.db2.gz YOLCPVXMBFQGOD-SECBINFHSA-N 1 0 208.265 0.069 10 0 BCAERO CC[C@H](C)[C@@H](O)[C@H]1CN(C)CC[N@@H+]1C ZINC000252029265 363015355 /nfs/dbraw/zinc/01/53/55/363015355.db2.gz YXZWIPPRVQPPBR-HBNTYKKESA-N 1 0 200.326 0.639 10 0 BCAERO CN1CCO[C@H](c2cccc(C(N)=O)c2)C1 ZINC000616643419 351156546 /nfs/dbraw/zinc/15/65/46/351156546.db2.gz LMFHDTSDINOLED-NSHDSACASA-N 1 0 220.272 0.789 10 0 BCAERO NC(=O)c1ccccc1[C@H]1C[NH2+]CCO1 ZINC000616644002 351159856 /nfs/dbraw/zinc/15/98/56/351159856.db2.gz AGQDMLUVWMILBO-SNVBAGLBSA-N 1 0 206.245 0.446 10 0 BCAERO OCC[N@@H+]1CCCOC[C@@H]1c1ccccn1 ZINC000616645150 351166724 /nfs/dbraw/zinc/16/67/24/351166724.db2.gz GQCLWVPETUJZLM-GFCCVEGCSA-N 1 0 222.288 0.837 10 0 BCAERO CC(C)(C)[N@@H+]1CCCO[C@@H](S(N)(=O)=O)C1 ZINC000616653658 351193498 /nfs/dbraw/zinc/19/34/98/351193498.db2.gz SIQRQSNLSZZXET-QMMMGPOBSA-N 1 0 236.337 0.122 10 0 BCAERO OCC[N@@H+]1CCCOC[C@H]1c1ccncc1 ZINC000616646248 351170598 /nfs/dbraw/zinc/17/05/98/351170598.db2.gz VQQVLMLXLAXTMO-LBPRGKRZSA-N 1 0 222.288 0.837 10 0 BCAERO NC(=O)c1ccc([C@H]2CN(CC[NH3+])CCO2)cc1 ZINC000616646284 351170629 /nfs/dbraw/zinc/17/06/29/351170629.db2.gz KQSUAGPKQXWGIJ-GFCCVEGCSA-N 1 0 249.314 0.118 10 0 BCAERO CC(C)[N@@H+]1CCCO[C@H](c2nc[nH]n2)C1 ZINC000616650376 351173065 /nfs/dbraw/zinc/17/30/65/351173065.db2.gz YXOOMJIMCCKQHH-VIFPVBQESA-N 1 0 210.281 0.977 10 0 BCAERO CCOC(=O)N1CCCOC[C@@H]1C[NH3+] ZINC000616647756 351175072 /nfs/dbraw/zinc/17/50/72/351175072.db2.gz QDIQLTSTBAKCSW-QMMMGPOBSA-N 1 0 202.254 0.193 10 0 BCAERO Nc1ccc([C@@H]2CN(CC[NH3+])CCO2)cc1 ZINC000616648053 351175454 /nfs/dbraw/zinc/17/54/54/351175454.db2.gz LPWQVDNJIBLWNL-LBPRGKRZSA-N 1 0 221.304 0.601 10 0 BCAERO COC(=O)[C@@H]1C[N@@H+](C(C)C)CCCO1 ZINC000616649393 351177796 /nfs/dbraw/zinc/17/77/96/351177796.db2.gz HOLDRNXCAIEZPJ-VIFPVBQESA-N 1 0 201.266 0.659 10 0 BCAERO C[C@@H](C[NH3+])CNc1ncnc2c1CCC2 ZINC000083387621 351183829 /nfs/dbraw/zinc/18/38/29/351183829.db2.gz OLRDBCJUTNEYJX-QMMMGPOBSA-N 1 0 206.293 0.972 10 0 BCAERO C[C@@H]1C[S@](=O)CCN1C[C@@H]1CC[NH2+]C1 ZINC000306858169 351184370 /nfs/dbraw/zinc/18/43/70/351184370.db2.gz YZVMQRNSJFWWBT-GPCCPHFNSA-N 1 0 216.350 0.049 10 0 BCAERO OCCN1CC[NH2+][C@@H](c2ccncc2)C1 ZINC000616653766 351194454 /nfs/dbraw/zinc/19/44/54/351194454.db2.gz IMDMANJBXVCDRM-LLVKDONJSA-N 1 0 207.277 0.020 10 0 BCAERO OCC[N@@H+]1CCCO[C@@H](c2cccnc2)C1 ZINC000616652743 351186477 /nfs/dbraw/zinc/18/64/77/351186477.db2.gz JLTGCIDEUGEVJC-GFCCVEGCSA-N 1 0 222.288 0.837 10 0 BCAERO Cc1ncn(C[C@H](C)[NH3+])c(=O)c1Br ZINC000222865101 351127779 /nfs/dbraw/zinc/12/77/79/351127779.db2.gz DVGZIQMLDYICIW-YFKPBYRVSA-N 1 0 246.108 0.661 10 0 BCAERO OCCN1CC[NH2+]C[C@@H]1c1cccc(CO)c1 ZINC000616637261 351131561 /nfs/dbraw/zinc/13/15/61/351131561.db2.gz URIXAKRKFYBLES-CYBMUJFWSA-N 1 0 236.315 0.118 10 0 BCAERO CCOC(=O)[C@H]1C[NH2+]CCN1C(C)(C)C ZINC000616637313 351132387 /nfs/dbraw/zinc/13/23/87/351132387.db2.gz JPJHPLPHEGOBFJ-SECBINFHSA-N 1 0 214.309 0.622 10 0 BCAERO CCN1CC[NH2+]C[C@H]1c1cccc(C(N)=O)c1 ZINC000616637787 351134351 /nfs/dbraw/zinc/13/43/51/351134351.db2.gz QLTDOGQCZRSDDN-LBPRGKRZSA-N 1 0 233.315 0.752 10 0 BCAERO CN1CC[NH2+]C[C@H]1c1cccc(C(N)=O)c1 ZINC000616638505 351139833 /nfs/dbraw/zinc/13/98/33/351139833.db2.gz WFLLVXPFYHFHSF-NSHDSACASA-N 1 0 219.288 0.362 10 0 BCAERO CC(=O)N1CC[NH2+]C[C@@H]1c1ccccc1CCO ZINC000616638962 351142260 /nfs/dbraw/zinc/14/22/60/351142260.db2.gz MIBLHOMNZBWXMS-CQSZACIVSA-N 1 0 248.326 0.714 10 0 BCAERO NC(=O)N1CC[NH2+]C[C@@H]1c1cccc(N)c1 ZINC000616639564 351144010 /nfs/dbraw/zinc/14/40/10/351144010.db2.gz RHNDURDEMMLHGJ-SNVBAGLBSA-N 1 0 220.276 0.294 10 0 BCAERO NC(=O)c1ccccc1[C@@H]1COCCN1CC[NH3+] ZINC000616640081 351144892 /nfs/dbraw/zinc/14/48/92/351144892.db2.gz CZVVKZHAIBZZKV-LBPRGKRZSA-N 1 0 249.314 0.118 10 0 BCAERO C[NH2+][C@@H]1Cc2ccccc2N(CCO)C1 ZINC000616672102 351235006 /nfs/dbraw/zinc/23/50/06/351235006.db2.gz IQHALDTYJDYUOU-LLVKDONJSA-N 1 0 206.289 0.629 10 0 BCAERO C[NH2+][C@@H]1Cc2ccccc2N(C(N)=O)C1 ZINC000616671860 351236512 /nfs/dbraw/zinc/23/65/12/351236512.db2.gz DPOAWIMSQQRDRG-SECBINFHSA-N 1 0 205.261 0.716 10 0 BCAERO NS(=O)(=O)N1CC[C@H](C[NH3+])c2ccccc21 ZINC000616675927 351240096 /nfs/dbraw/zinc/24/00/96/351240096.db2.gz MZRXTXDAVLGHBA-MRVPVSSYSA-N 1 0 241.316 0.143 10 0 BCAERO Cc1nc(NCC[NH3+])ncc1Br ZINC000306863127 351245335 /nfs/dbraw/zinc/24/53/35/351245335.db2.gz JKEWGHRUNUBGMN-UHFFFAOYSA-N 1 0 231.097 0.918 10 0 BCAERO [NH3+]C[C@@H]1CN(CCO)c2ccccc2N1 ZINC000616680366 351247225 /nfs/dbraw/zinc/24/72/25/351247225.db2.gz DCQDMGNMLQVUHI-SECBINFHSA-N 1 0 207.277 0.238 10 0 BCAERO CC(C)(C)[N@@H+]1CCOCC[C@@H]1C(N)=O ZINC000616655581 351200752 /nfs/dbraw/zinc/20/07/52/351200752.db2.gz GRRYDXDJKSCTCG-MRVPVSSYSA-N 1 0 200.282 0.361 10 0 BCAERO [NH3+]CCN1CCOCC[C@@H]1c1cccnc1 ZINC000616656457 351202693 /nfs/dbraw/zinc/20/26/93/351202693.db2.gz AYVMGGDBQMLXFG-GFCCVEGCSA-N 1 0 221.304 0.804 10 0 BCAERO CC(C)[N@@H+]1CCOC[C@H](c2nnc[nH]2)C1 ZINC000616660433 351206052 /nfs/dbraw/zinc/20/60/52/351206052.db2.gz MSEHZNBMRUFBNX-SECBINFHSA-N 1 0 210.281 0.629 10 0 BCAERO Nc1cccc([C@@H]2COCC[N@H+](CCO)C2)n1 ZINC000616661774 351209731 /nfs/dbraw/zinc/20/97/31/351209731.db2.gz YASZPYXSERHNML-JTQLQIEISA-N 1 0 237.303 0.072 10 0 BCAERO CC(C)[N@@H+]1CCOC[C@H](c2conn2)C1 ZINC000616661559 351210914 /nfs/dbraw/zinc/21/09/14/351210914.db2.gz UOKRWZRZMDOIKM-SECBINFHSA-N 1 0 211.265 0.894 10 0 BCAERO CC[N@@H+]1CCOC[C@@H](c2cccnn2)C1 ZINC000616661768 351212140 /nfs/dbraw/zinc/21/21/40/351212140.db2.gz RUGLBVNNADGDAS-JTQLQIEISA-N 1 0 207.277 0.912 10 0 BCAERO [NH3+]CCN1CCOC[C@@H](c2ccccn2)C1 ZINC000616663259 351215103 /nfs/dbraw/zinc/21/51/03/351215103.db2.gz JZFMQERONUVSOF-NSHDSACASA-N 1 0 221.304 0.456 10 0 BCAERO NC(=O)c1ccccc1[C@@H]1C[NH2+]CCOC1 ZINC000616662555 351218160 /nfs/dbraw/zinc/21/81/60/351218160.db2.gz IYTLHUWFPCRNTF-SECBINFHSA-N 1 0 220.272 0.489 10 0 BCAERO [NH3+]CCN1CCOC[C@@H](c2cnoc2)C1 ZINC000616664390 351219866 /nfs/dbraw/zinc/21/98/66/351219866.db2.gz RBALZCLWPFKQFG-JTQLQIEISA-N 1 0 211.265 0.049 10 0 BCAERO NC(=O)c1ccccc1[C@@H]1CC[NH2+]CCO1 ZINC000616665357 351222617 /nfs/dbraw/zinc/22/26/17/351222617.db2.gz UVZQHYGCZOFRAS-NSHDSACASA-N 1 0 220.272 0.837 10 0 BCAERO CC[C@@H](C(N)=S)[N@@H+]1C[C@H](O)C(C)(C)C1 ZINC000306880750 351280477 /nfs/dbraw/zinc/28/04/77/351280477.db2.gz KXHLHTRNCMEXET-YUMQZZPRSA-N 1 0 216.350 0.754 10 0 BCAERO C[NH+](C)[C@@H]1CCN(C(=O)c2c[nH]cn2)C1 ZINC000379920281 351289869 /nfs/dbraw/zinc/28/98/69/351289869.db2.gz RMRPNCRHCWPWGV-MRVPVSSYSA-N 1 0 208.265 0.186 10 0 BCAERO C[C@@H]1C[C@H]1[NH2+][C@@H]1CCCS(=O)(=O)C1 ZINC000068940364 351296803 /nfs/dbraw/zinc/29/68/03/351296803.db2.gz MRXAIMKTKXXLTI-IWSPIJDZSA-N 1 0 203.307 0.562 10 0 BCAERO O=C(Nc1ncccc1Cl)C1C[NH2+]C1 ZINC000231769905 351321574 /nfs/dbraw/zinc/32/15/74/351321574.db2.gz PAKMEMICEZJYKP-UHFFFAOYSA-N 1 0 211.652 0.893 10 0 BCAERO [NH3+][C@@H]1CCC[C@@H]1NC(=O)c1cnns1 ZINC000063172422 351268593 /nfs/dbraw/zinc/26/85/93/351268593.db2.gz OCLRDTRBRHYPHS-RITPCOANSA-N 1 0 212.278 0.148 10 0 BCAERO [NH3+]C[C@H]1CSCCN1C(=O)NC1CC1 ZINC000306879319 351272586 /nfs/dbraw/zinc/27/25/86/351272586.db2.gz JPRIPWZFUAOEBO-QMMMGPOBSA-N 1 0 215.322 0.235 10 0 BCAERO [NH2+]=C(NCc1ccccc1)N[C@H]1CCCNC1=O ZINC000306951636 351379969 /nfs/dbraw/zinc/37/99/69/351379969.db2.gz LPIFMVFGQXVRJF-NSHDSACASA-N 1 0 246.314 0.579 10 0 BCAERO [NH3+]Cc1sccc1S(=O)(=O)N1CCC1 ZINC000306962771 351384395 /nfs/dbraw/zinc/38/43/95/351384395.db2.gz GQBORGQDZUGJLL-UHFFFAOYSA-N 1 0 232.330 0.601 10 0 BCAERO CC1CC([NH2+]C[C@@H]2CCS(=O)(=O)C2)C1 ZINC000231787305 351341698 /nfs/dbraw/zinc/34/16/98/351341698.db2.gz WPQLMHMETODVPY-KYHHOPLUSA-N 1 0 217.334 0.809 10 0 BCAERO [NH3+][C@@H](C1=CCCO1)[C@@H]1CSCCO1 ZINC000168232590 351348191 /nfs/dbraw/zinc/34/81/91/351348191.db2.gz YLXGCALHYPOSNY-IUCAKERBSA-N 1 0 201.291 0.750 10 0 BCAERO CC(C)CC[NH2+][C@@H](C)C(=O)N1CCOCC1 ZINC000034936795 351350232 /nfs/dbraw/zinc/35/02/32/351350232.db2.gz PMAKYVKCJJZPEV-NSHDSACASA-N 1 0 228.336 0.869 10 0 BCAERO CC(C)CNC(=O)[C@H](C)[NH2+]C[C@H]1CCCO1 ZINC000034937558 351352275 /nfs/dbraw/zinc/35/22/75/351352275.db2.gz GONXZKLCYWKQOQ-WDEREUQCSA-N 1 0 228.336 0.916 10 0 BCAERO CC[C@@H](C)[NH2+][C@@H](C)C(=O)NCCCOC ZINC000034938603 351353109 /nfs/dbraw/zinc/35/31/09/351353109.db2.gz OLEGPUMSCXUJFW-ZJUUUORDSA-N 1 0 216.325 0.916 10 0 BCAERO CC[C@@H](C)NC(=O)[C@H](C)[NH2+]CCOC ZINC000034938591 351353407 /nfs/dbraw/zinc/35/34/07/351353407.db2.gz VKQHZMGUVVAINJ-BDAKNGLRSA-N 1 0 202.298 0.526 10 0 BCAERO C[C@@H](C(=O)Nc1ccncc1)N1CC[NH2+]CC1 ZINC000034958647 351362024 /nfs/dbraw/zinc/36/20/24/351362024.db2.gz JXCHUOKLNPUWTP-JTQLQIEISA-N 1 0 234.303 0.314 10 0 BCAERO O=C(N=S1(=O)CCCC1)[C@@H]1CCC[NH2+]1 ZINC000307031185 351432552 /nfs/dbraw/zinc/43/25/52/351432552.db2.gz FGHFMCAXMPRBDD-QMMMGPOBSA-N 1 0 216.306 0.527 10 0 BCAERO C[C@@]1(C(=O)N=S(C)(C)=O)CCC[C@H]1[NH3+] ZINC000307038339 351436254 /nfs/dbraw/zinc/43/62/54/351436254.db2.gz GZNDSSQYWYRIGT-VXNVDRBHSA-N 1 0 218.322 0.758 10 0 BCAERO O[C@H]1C[NH2+]C[C@H]1N1CCC=C(Br)C1 ZINC000404424214 351439928 /nfs/dbraw/zinc/43/99/28/351439928.db2.gz LGILFKZKAPISJX-BDAKNGLRSA-N 1 0 247.136 0.304 10 0 BCAERO NC(=O)[C@@H]([NH3+])CNc1ccsc1Cl ZINC000307011063 351419425 /nfs/dbraw/zinc/41/94/25/351419425.db2.gz JSJSBIPGCOUYNF-BYPYZUCNSA-N 1 0 219.697 0.626 10 0 BCAERO CC1(N2C(=O)c3ccccc3C2=O)C[NH2+]C1 ZINC000307014218 351421518 /nfs/dbraw/zinc/42/15/18/351421518.db2.gz OWIZCFMTSPDWQI-UHFFFAOYSA-N 1 0 216.240 0.645 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N1CCC[C@H]1C(C)C ZINC000088004804 351510340 /nfs/dbraw/zinc/51/03/40/351510340.db2.gz RVHHYBXWUAEUJN-ZJUUUORDSA-N 1 0 214.309 0.607 10 0 BCAERO CCC1(CC)CCN(C(=O)[C@H]([NH3+])COC)C1 ZINC000088005044 351511920 /nfs/dbraw/zinc/51/19/20/351511920.db2.gz XBXSJXTUVNLWJO-SNVBAGLBSA-N 1 0 228.336 0.999 10 0 BCAERO C[C@H]1C[C@@H]([NH3+])CCN1C(=O)C(F)(F)F ZINC000133671548 351470772 /nfs/dbraw/zinc/47/07/72/351470772.db2.gz YIQYSFQFXXENRM-WDSKDSINSA-N 1 0 210.199 0.887 10 0 BCAERO C[NH2+]CC(=O)Nc1ncc(Cl)s1 ZINC000307087111 351471617 /nfs/dbraw/zinc/47/16/17/351471617.db2.gz ZONSJGXIBLQWEI-UHFFFAOYSA-N 1 0 205.670 0.954 10 0 BCAERO [NH3+]C[C@]1(Nc2ncns2)CCOC1 ZINC000307091732 351472646 /nfs/dbraw/zinc/47/26/46/351472646.db2.gz YATTXSUOCQCXPB-SSDOTTSWSA-N 1 0 200.267 0.068 10 0 BCAERO BrC1=CCCN(C2C[NH2+]C2)C1 ZINC000404479335 351473572 /nfs/dbraw/zinc/47/35/72/351473572.db2.gz RAKCIESESAHYTR-UHFFFAOYSA-N 1 0 217.110 0.943 10 0 BCAERO Cn1cnnc1C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000307084043 351474247 /nfs/dbraw/zinc/47/42/47/351474247.db2.gz VPXVLWGABZXTLL-HTQZYQBOSA-N 1 0 208.265 0.373 10 0 BCAERO CCC(=O)CN1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000307100147 351479338 /nfs/dbraw/zinc/47/93/38/351479338.db2.gz XMSNYSRXQNVQKX-GFCCVEGCSA-N 1 0 210.321 0.993 10 0 BCAERO [NH3+][C@H](c1ccsn1)[C@@H]1COCCO1 ZINC000307116888 351487769 /nfs/dbraw/zinc/48/77/69/351487769.db2.gz GBHGYPXIOGYAKI-JGVFFNPUSA-N 1 0 200.263 0.558 10 0 BCAERO Clc1nccnc1CN1CC[NH2+]CC1 ZINC000095070367 180603722 /nfs/dbraw/zinc/60/37/22/180603722.db2.gz HEEGFPVAXXYZFM-UHFFFAOYSA-N 1 0 212.684 0.535 10 0 BCAERO O=S(=O)(Nc1ccsc1)C1C[NH2+]C1 ZINC000405180629 363074946 /nfs/dbraw/zinc/07/49/46/363074946.db2.gz XJBNPFMQAIVLCE-UHFFFAOYSA-N 1 0 218.303 0.462 10 0 BCAERO CCS(=O)(=O)N(C)[C@@H]1CCC[NH2+]CC1 ZINC000226463345 351585213 /nfs/dbraw/zinc/58/52/13/351585213.db2.gz PXXAJUPVELEXCV-SECBINFHSA-N 1 0 220.338 0.410 10 0 BCAERO CC(C)S(=O)(=O)N1CC[C@H]([NH3+])[C@H]1C ZINC000307187310 351587141 /nfs/dbraw/zinc/58/71/41/351587141.db2.gz OQWZTYLDZIXRAS-SFYZADRCSA-N 1 0 206.311 0.146 10 0 BCAERO Cn1nnc(Br)c1C[C@H]1CC[NH2+]C1 ZINC000307186882 351588173 /nfs/dbraw/zinc/58/81/73/351588173.db2.gz NPRDLGLVWYTXGR-ZCFIWIBFSA-N 1 0 245.124 0.730 10 0 BCAERO CC[C@@H](C[NH3+])N1CC[C@@H](O)C(C)(C)C1 ZINC000307187890 351589854 /nfs/dbraw/zinc/58/98/54/351589854.db2.gz WPJVXHJEEGHOET-VHSXEESVSA-N 1 0 200.326 0.817 10 0 BCAERO C[C@@H]1CO[C@H](CO)CN1C[C@@H]1CCC[NH2+]C1 ZINC000088098992 351597235 /nfs/dbraw/zinc/59/72/35/351597235.db2.gz KXIDQCNCIOZBLI-UTUOFQBUSA-N 1 0 228.336 0.068 10 0 BCAERO C/C(=C\Cl)CN1CC[NH2+]C[C@@H](O)C1 ZINC000307197724 351599683 /nfs/dbraw/zinc/59/96/83/351599683.db2.gz SELKYXXDOSXQRG-VGANXODHSA-N 1 0 204.701 0.395 10 0 BCAERO [NH3+]CC1(CO)CC(Cc2ccncc2)C1 ZINC000606302233 351554703 /nfs/dbraw/zinc/55/47/03/351554703.db2.gz JCOVCGDSJFKNRV-UHFFFAOYSA-N 1 0 206.289 0.972 10 0 BCAERO C[NH2+]CCN(C)S(=O)(=O)c1ccc(O)cc1 ZINC000606303834 351560325 /nfs/dbraw/zinc/56/03/25/351560325.db2.gz XBPMHPWOGIVUSQ-UHFFFAOYSA-N 1 0 244.316 0.232 10 0 BCAERO COC1CC(C(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000637816034 351655771 /nfs/dbraw/zinc/65/57/71/351655771.db2.gz WMLXLIUVRVIULO-KTMJHZKESA-N 1 0 238.331 0.811 10 0 BCAERO O=C(N1CC[C@@H]2[NH2+]CC[C@H]2C1)C(F)(F)F ZINC000307216765 351617252 /nfs/dbraw/zinc/61/72/52/351617252.db2.gz MADBYTMUDFDZBO-BQBZGAKWSA-N 1 0 222.210 0.759 10 0 BCAERO C[NH2+][C@H]1COC[C@H]1C(=O)c1csc(C)n1 ZINC000307215805 351618175 /nfs/dbraw/zinc/61/81/75/351618175.db2.gz BKRICHMVRAXREK-SFYZADRCSA-N 1 0 226.301 0.869 10 0 BCAERO NNc1nc(NCCF)c(Cl)c[nH+]1 ZINC000307228422 351671644 /nfs/dbraw/zinc/67/16/44/351671644.db2.gz IBLOQTVYOKQIRH-UHFFFAOYSA-N 1 0 205.624 0.797 10 0 BCAERO C[C@@H]1C[C@H](C(=O)N2CCC[C@@H]2C[NH3+])[C@H](C)O1 ZINC000637859924 351721335 /nfs/dbraw/zinc/72/13/35/351721335.db2.gz RTVPQXMYIWNSJG-YTWAJWBKSA-N 1 0 226.320 0.750 10 0 BCAERO C[C@@H]1CN(C(=O)[C@@]2(C)C[NH2+]CCO2)C[C@@H](C)O1 ZINC000637866888 351727551 /nfs/dbraw/zinc/72/75/51/351727551.db2.gz CYUCPDVVCKBNLJ-CKYFFXLPSA-N 1 0 242.319 0.001 10 0 BCAERO C[C@H](CO)C[N@@H+]1CCC[C@H]1CCCO ZINC000252727746 538101090 /nfs/dbraw/zinc/10/10/90/538101090.db2.gz OVEQOIBPRDMKQJ-QWRGUYRKSA-N 1 0 201.310 0.852 10 0 BCAERO COC1CC(C(=O)N[C@H]2CCC[C@H]2C[NH3+])C1 ZINC000637850540 351708323 /nfs/dbraw/zinc/70/83/23/351708323.db2.gz KCHRSAJJAISCIW-PMUOWJKOSA-N 1 0 226.320 0.655 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)c1cccnn1 ZINC000637852541 351710856 /nfs/dbraw/zinc/71/08/56/351710856.db2.gz WOLLGTHYABFZSE-IUCAKERBSA-N 1 0 220.276 0.334 10 0 BCAERO CC[NH2+][C@@H](C)C(=O)NCC[C@H]1CCCO1 ZINC000637904542 351775693 /nfs/dbraw/zinc/77/56/93/351775693.db2.gz XHYUXHLUTQVADF-VHSXEESVSA-N 1 0 214.309 0.670 10 0 BCAERO CC(C)CC[C@@H]([NH3+])C(=O)NCC[C@H](C)O ZINC000637910106 351779919 /nfs/dbraw/zinc/77/99/19/351779919.db2.gz LOCPLUVFIZNPAZ-VHSXEESVSA-N 1 0 216.325 0.637 10 0 BCAERO CN(C[C@H]1CCCO1)C(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000637909798 351780290 /nfs/dbraw/zinc/78/02/90/351780290.db2.gz LOENQHUKLRMMKH-ZYHUDNBSSA-N 1 0 242.319 0.002 10 0 BCAERO CC(C)CC[C@H]([NH3+])C(=O)NCC[C@H](C)O ZINC000637910105 351780334 /nfs/dbraw/zinc/78/03/34/351780334.db2.gz LOCPLUVFIZNPAZ-UWVGGRQHSA-N 1 0 216.325 0.637 10 0 BCAERO CC[NH2+][C@H](C)C(=O)N1CCC[C@@H](NC(C)=O)C1 ZINC000637922542 351797678 /nfs/dbraw/zinc/79/76/78/351797678.db2.gz QVDINODPQXQKII-MWLCHTKSSA-N 1 0 241.335 0.112 10 0 BCAERO O=C(CCC1C[NH2+]C1)NCC[C@@H]1CCCO1 ZINC000637902698 351774827 /nfs/dbraw/zinc/77/48/27/351774827.db2.gz MNWQNZDHCFTXEL-NSHDSACASA-N 1 0 226.320 0.671 10 0 BCAERO O=C(CCC1C[NH2+]C1)NC[C@H]1CCC[C@@H]1O ZINC000637964858 351838639 /nfs/dbraw/zinc/83/86/39/351838639.db2.gz MSZBXTIEKRKZIS-MNOVXSKESA-N 1 0 226.320 0.263 10 0 BCAERO Cc1cnccc1CC[N@@H+]1C[C@@H](O)C[C@@H]1CO ZINC000577844905 366080742 /nfs/dbraw/zinc/08/07/42/366080742.db2.gz GTJYGKRMIXKLQU-OLZOCXBDSA-N 1 0 236.315 0.360 10 0 BCAERO CCCC(=O)N1CCC2(CC1)OCC[C@H]2[NH3+] ZINC000725269270 538101367 /nfs/dbraw/zinc/10/13/67/538101367.db2.gz IZJGSAIJSVLKIH-SNVBAGLBSA-N 1 0 226.320 0.895 10 0 BCAERO CS(C)(=O)=NC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000307262215 351808922 /nfs/dbraw/zinc/80/89/22/351808922.db2.gz WLLODMAONWRHKZ-RNFRBKRXSA-N 1 0 204.295 0.368 10 0 BCAERO [NH3+][C@@H]1CCOC12CCN(C(=O)C1CCC1)CC2 ZINC000725269373 538101378 /nfs/dbraw/zinc/10/13/78/538101378.db2.gz JMKUZQJNSIHCHU-LLVKDONJSA-N 1 0 238.331 0.895 10 0 BCAERO CO[C@@H]1C[NH2+][C@](C)(C(=O)N[C@@H]2CCCOC2)C1 ZINC000637981993 351856229 /nfs/dbraw/zinc/85/62/29/351856229.db2.gz NWJHEJSYERBQLF-SCVCMEIPSA-N 1 0 242.319 0.049 10 0 BCAERO CC(C)NC(=O)N1CCC2(CC1)OCC[C@@H]2[NH3+] ZINC000725269104 538101516 /nfs/dbraw/zinc/10/15/16/538101516.db2.gz DPIFLHOZYBOWIF-JTQLQIEISA-N 1 0 241.335 0.687 10 0 BCAERO OCC1CC[NH+]([C@H]2CCO[C@]23CCOC3)CC1 ZINC000725268815 538101530 /nfs/dbraw/zinc/10/15/30/538101530.db2.gz BYSLXRSFOAOQNK-STQMWFEESA-N 1 0 241.331 0.639 10 0 BCAERO OCC1CC[NH+]([C@@H]2CCO[C@@]23CCOC3)CC1 ZINC000725268812 538101556 /nfs/dbraw/zinc/10/15/56/538101556.db2.gz BYSLXRSFOAOQNK-CHWSQXEVSA-N 1 0 241.331 0.639 10 0 BCAERO CCC[C@H]1C[C@@H]1NC(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000638038660 351921907 /nfs/dbraw/zinc/92/19/07/351921907.db2.gz OOWRKOMRQYKTAE-AATLWQCWSA-N 1 0 212.293 0.407 10 0 BCAERO Cn1cc(NC(=O)[C@@H]2CC[C@H]([NH3+])C2)ccc1=O ZINC000091544986 180659206 /nfs/dbraw/zinc/65/92/06/180659206.db2.gz GOELIMVDNOLVIF-BDAKNGLRSA-N 1 0 235.287 0.451 10 0 BCAERO [NH3+][C@@H]1CC=C(C(=O)NC[C@@H]2CCCC[C@H]2O)C1 ZINC000638012266 351890173 /nfs/dbraw/zinc/89/01/73/351890173.db2.gz VMKJJMGJKUUUJF-QJPTWQEYSA-N 1 0 238.331 0.701 10 0 BCAERO CC1(C)CC[C@@H](SCC(N)=O)[C@H]1[NH3+] ZINC000300881152 363098635 /nfs/dbraw/zinc/09/86/35/363098635.db2.gz ZJERLAWTRXMDRD-HTRCEHHLSA-N 1 0 202.323 0.721 10 0 BCAERO C[C@H]1OCC[C@H]1S[C@@H]1C[NH2+]C[C@H]1O ZINC000307295272 351904917 /nfs/dbraw/zinc/90/49/17/351904917.db2.gz OUSURMMUXFELMU-FNCVBFRFSA-N 1 0 203.307 0.230 10 0 BCAERO Cn1c(Cl)cnc1[C@H](O)C1C[NH2+]C1 ZINC000307296596 351906818 /nfs/dbraw/zinc/90/68/18/351906818.db2.gz RQBJMKMWXRBABV-SSDOTTSWSA-N 1 0 201.657 0.326 10 0 BCAERO CCOC(=O)[C@@H]1CCC[N@@H+]([C@H]2[C@@H]3COC[C@@H]32)C1 ZINC000725269954 538101749 /nfs/dbraw/zinc/10/17/49/538101749.db2.gz UXDFTIYPRVIFKF-WYUUTHIRSA-N 1 0 239.315 0.906 10 0 BCAERO CCCC(=O)N[C@@H]1CCOC12CC[NH2+]CC2 ZINC000725269946 538101765 /nfs/dbraw/zinc/10/17/65/538101765.db2.gz UOVJWRCIGAVGKL-SNVBAGLBSA-N 1 0 226.320 0.814 10 0 BCAERO C[C@H]1CCO[C@H]1C(=O)NCC(C)(C)[NH3+] ZINC000168375200 351998011 /nfs/dbraw/zinc/99/80/11/351998011.db2.gz KGADKDFSSUJOAP-JGVFFNPUSA-N 1 0 200.282 0.265 10 0 BCAERO CCCCCC[N@@H+]1CCC[C@](O)(C(N)=O)C1 ZINC000309258994 168661094 /nfs/dbraw/zinc/66/10/94/168661094.db2.gz CWFPSEHWMNTRLK-GFCCVEGCSA-N 1 0 228.336 0.879 10 0 BCAERO N[C@H]1C[NH2+]CC[C@H]1c1cccc(O)c1F ZINC000725270363 538101884 /nfs/dbraw/zinc/10/18/84/538101884.db2.gz IYOQYZBHRSWDIH-CBAPKCEASA-N 1 0 210.252 0.936 10 0 BCAERO COC1CC(C(=O)N[C@H]2CCC[NH2+][C@H]2C)C1 ZINC000638205192 352067503 /nfs/dbraw/zinc/06/75/03/352067503.db2.gz HCMSKTPORVTNQD-PMUOWJKOSA-N 1 0 226.320 0.668 10 0 BCAERO C[C@@H]1C[C@H](C(=O)NC[C@H]2CC[NH2+]C2)[C@H](C)O1 ZINC000638164425 352032274 /nfs/dbraw/zinc/03/22/74/352032274.db2.gz HUIXDCRNJRFTIB-RCWTZXSCSA-N 1 0 226.320 0.526 10 0 BCAERO Cc1conc1C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000638167795 352036238 /nfs/dbraw/zinc/03/62/38/352036238.db2.gz PXBOSIIXWWXEHB-IVZWLZJFSA-N 1 0 235.287 0.792 10 0 BCAERO CC(C)[C@H]([NH3+])CCN(C)c1ccc2nncn2n1 ZINC000420202471 192174409 /nfs/dbraw/zinc/17/44/09/192174409.db2.gz JHVXFBIXRXQHLM-SNVBAGLBSA-N 1 0 248.334 0.934 10 0 BCAERO C[C@H]1OCC[C@@H]1C(=O)NCC(C)(C)[NH3+] ZINC000168379781 352084986 /nfs/dbraw/zinc/08/49/86/352084986.db2.gz YOOVVVSPWXUJIY-SFYZADRCSA-N 1 0 200.282 0.265 10 0 BCAERO CC(=O)N[C@@H](C(=O)N1CC[C@H]([NH3+])[C@H]1C)C(C)C ZINC000638232303 352086842 /nfs/dbraw/zinc/08/68/42/352086842.db2.gz CHVZPCSZDBYKIK-DVVUODLYSA-N 1 0 241.335 0.095 10 0 BCAERO CC(F)(F)CC(=O)N1CCC[NH2+]CC1 ZINC000307344888 352093205 /nfs/dbraw/zinc/09/32/05/352093205.db2.gz VSPOMAWDZGZAOB-UHFFFAOYSA-N 1 0 206.236 0.854 10 0 BCAERO COC(=O)CC[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C ZINC000405201303 352115357 /nfs/dbraw/zinc/11/53/57/352115357.db2.gz CVOFPCWRBQFJSD-JGVFFNPUSA-N 1 0 200.282 0.265 10 0 BCAERO CC(C)(C)[C@H](O)CNC(=O)C1=CC[C@H]([NH3+])C1 ZINC000638278861 352115736 /nfs/dbraw/zinc/11/57/36/352115736.db2.gz LPLTWCKEYHPTCX-VHSXEESVSA-N 1 0 226.320 0.557 10 0 BCAERO O=C(NC1C[NH2+]C1)[C@H]1CCC(F)(F)C1 ZINC000300895942 363108408 /nfs/dbraw/zinc/10/84/08/363108408.db2.gz BVVMFVPUIMCDKM-LURJTMIESA-N 1 0 204.220 0.510 10 0 BCAERO CC(C)COC(=O)CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000181453562 535172938 /nfs/dbraw/zinc/17/29/38/535172938.db2.gz ZPFZBBWLWHBZKW-GFCCVEGCSA-N 1 0 240.347 0.966 10 0 BCAERO CCOC(=O)C(=O)N(C)CC(C)(C)C[NH+](C)C ZINC000725270025 538102181 /nfs/dbraw/zinc/10/21/81/538102181.db2.gz CQOQTCZKIIIGES-UHFFFAOYSA-N 1 0 244.335 0.596 10 0 BCAERO COCCC(=O)N1CCC2(CC1)OCC[C@H]2[NH3+] ZINC000725270180 538102194 /nfs/dbraw/zinc/10/21/94/538102194.db2.gz YFSNAJIANQQFLG-SNVBAGLBSA-N 1 0 242.319 0.132 10 0 BCAERO [NH3+]C[C@@H](NC(=O)c1cccnn1)C(F)(F)F ZINC000638398712 352205740 /nfs/dbraw/zinc/20/57/40/352205740.db2.gz SAVJJIMAVCQESW-ZCFIWIBFSA-N 1 0 234.181 0.096 10 0 BCAERO CCc1nsc(N(C)CCC[NH3+])n1 ZINC000083651089 352220668 /nfs/dbraw/zinc/22/06/68/352220668.db2.gz CJDRRDSLWHIIAF-UHFFFAOYSA-N 1 0 200.311 0.886 10 0 BCAERO [NH3+][C@@H]1CCOC12CCN(C(=O)CC1CC1)CC2 ZINC000725270182 538102333 /nfs/dbraw/zinc/10/23/33/538102333.db2.gz YFZCYGIWJHMIJL-LLVKDONJSA-N 1 0 238.331 0.895 10 0 BCAERO C[N@H+](CCO)[C@H]1CCC[C@@]23C[C@@H](CO2)[C@H]13 ZINC000725270919 538102425 /nfs/dbraw/zinc/10/24/25/538102425.db2.gz GTMLMEIHDPIUSM-YFKTTZPYSA-N 1 0 211.305 0.868 10 0 BCAERO COC1CCC(NC(=O)[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000638445684 352255237 /nfs/dbraw/zinc/25/52/37/352255237.db2.gz RBYNZXCSHYKUCS-HBIQZDMRSA-N 1 0 240.347 0.916 10 0 BCAERO CCN1CCO[C@@H](C[NH2+][C@H](COC)C2CC2)C1 ZINC000252761950 538102549 /nfs/dbraw/zinc/10/25/49/538102549.db2.gz YMFAKPSGDQZYKL-QWHCGFSZSA-N 1 0 242.363 0.722 10 0 BCAERO CC(C)(C)C(=O)N1CCC[NH2+]CCOCC1 ZINC000725270829 538102877 /nfs/dbraw/zinc/10/28/77/538102877.db2.gz FKXXOERRYNIXBI-UHFFFAOYSA-N 1 0 228.336 0.871 10 0 BCAERO C[S@](=O)N1CC[C@@H]2C[NH2+]C[C@H]2CC1 ZINC000307355500 352322860 /nfs/dbraw/zinc/32/28/60/352322860.db2.gz UITPYQXXFGWWIE-KKFJDGPESA-N 1 0 202.323 0.211 10 0 BCAERO C[C@H]1CN(C(=O)C2CC2)CC2(CC[NH2+]CC2)O1 ZINC000725271317 538103053 /nfs/dbraw/zinc/10/30/53/538103053.db2.gz CDERKCKZLJMALT-JTQLQIEISA-N 1 0 238.331 0.766 10 0 BCAERO CCOC(=O)C[C@H]([NH3+])[C@H]1CCCS(=O)(=O)C1 ZINC000725272057 538103726 /nfs/dbraw/zinc/10/37/26/538103726.db2.gz GCMHKSMIBBQVPD-IUCAKERBSA-N 1 0 249.332 0.092 10 0 BCAERO CNS(=O)(=O)C[C@]12CC[NH2+][C@H]1CCCC2 ZINC000725272196 538103752 /nfs/dbraw/zinc/10/37/52/538103752.db2.gz IGYUAPJJTAKOKN-UWVGGRQHSA-N 1 0 232.349 0.458 10 0 BCAERO C[NH2+][C@H](C)C(=O)N[C@H]1[C@@H](C)[C@H](C)O[C@H]1C ZINC000638629366 352470502 /nfs/dbraw/zinc/47/05/02/352470502.db2.gz NDRXTQRGLZAVMF-SVSWQMSJSA-N 1 0 214.309 0.522 10 0 BCAERO C[C@H]([NH3+])CC(=O)N[C@@H]1[C@H](C)O[C@@H](C)[C@H]1C ZINC000638631686 352471920 /nfs/dbraw/zinc/47/19/20/352471920.db2.gz WNYQDPSPICMQEA-IRHRITDKSA-N 1 0 214.309 0.652 10 0 BCAERO C[C@@H]1CSC[C@@H]1[NH2+][C@@H]1CNC(=O)C1 ZINC000307376823 352475492 /nfs/dbraw/zinc/47/54/92/352475492.db2.gz BXADGHAMTCKDFR-CSMHCCOUSA-N 1 0 200.307 0.216 10 0 BCAERO CO[C@@H]1COCC[C@@]12[NH2+]C[C@H](C)S2 ZINC000307380645 352481694 /nfs/dbraw/zinc/48/16/94/352481694.db2.gz YLMLSKFLNNWMKT-YIZRAAEISA-N 1 0 203.307 0.843 10 0 BCAERO O=C([C@@H]1CC[NH2+]C1)N1CCO[C@@H](CCF)C1 ZINC000638684039 352521933 /nfs/dbraw/zinc/52/19/33/352521933.db2.gz OWRCSRROSDTQED-ZJUUUORDSA-N 1 0 230.283 0.183 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)N1CCO[C@H](CCF)C1 ZINC000638684504 352522264 /nfs/dbraw/zinc/52/22/64/352522264.db2.gz SYDSLBUJWGMDHD-NXEZZACHSA-N 1 0 232.299 0.701 10 0 BCAERO [NH3+][C@@H]1CC[C@H](C(=O)N[C@H]2CO[C@H](C3CC3)C2)C1 ZINC000638694503 352531376 /nfs/dbraw/zinc/53/13/76/352531376.db2.gz FSSBMWGIRAUUAI-QCNOEVLYSA-N 1 0 238.331 0.798 10 0 BCAERO O=C(N[C@H]1CO[C@H](C2CC2)C1)[C@@H]1CC[NH2+]C1 ZINC000638695480 352532777 /nfs/dbraw/zinc/53/27/77/352532777.db2.gz OIVJCDXSNGJLBH-MXWKQRLJSA-N 1 0 224.304 0.280 10 0 BCAERO C[C@@H]1C[C@H]([NH2+]C2CS(=O)(=O)C2)CS1 ZINC000307390289 352553914 /nfs/dbraw/zinc/55/39/14/352553914.db2.gz SCHHXIKGJCSEHE-RQJHMYQMSA-N 1 0 221.347 0.267 10 0 BCAERO CC(C)[S@](=O)N1C[C@H]2C[C@@H](C1)C2[NH3+] ZINC000307447259 352602266 /nfs/dbraw/zinc/60/22/66/352602266.db2.gz IGAGNRBIWZRPCR-LFFRYVDOSA-N 1 0 202.323 0.338 10 0 BCAERO [NH3+]C[C@@]1(c2ncncc2Cl)CCOC1 ZINC000307461026 352611194 /nfs/dbraw/zinc/61/11/94/352611194.db2.gz FJZMCFQQUZUIRU-VIFPVBQESA-N 1 0 213.668 0.747 10 0 BCAERO [NH3+]C1CC(NC(=O)NCc2ccccc2)C1 ZINC000232306141 352611246 /nfs/dbraw/zinc/61/12/46/352611246.db2.gz LPZOVULIMQEBPL-UHFFFAOYSA-N 1 0 219.288 0.976 10 0 BCAERO c1nsc(N2CCC[C@@H]3C[NH2+]C[C@@H]32)n1 ZINC000232300380 352612879 /nfs/dbraw/zinc/61/28/79/352612879.db2.gz WTPIJFLTHLBYIQ-SFYZADRCSA-N 1 0 210.306 0.726 10 0 BCAERO C[C@H]([NH3+])c1n[nH]c(=O)n1Cc1ccccc1 ZINC000232308880 352614694 /nfs/dbraw/zinc/61/46/94/352614694.db2.gz IKENTSKLSOUMGQ-QMMMGPOBSA-N 1 0 218.260 0.639 10 0 BCAERO CCS(=O)(=O)N1CCC[C@H]([NH3+])[C@@H]1C ZINC000307399773 352572009 /nfs/dbraw/zinc/57/20/09/352572009.db2.gz XVQTZNKJAPEBQD-YUMQZZPRSA-N 1 0 206.311 0.148 10 0 BCAERO CC(C)[C@@H]([NH3+])CC(=O)NCc1ccc[nH]c1=O ZINC000638725527 352578907 /nfs/dbraw/zinc/57/89/07/352578907.db2.gz IIOYDIGEBMRSNQ-JTQLQIEISA-N 1 0 237.303 0.777 10 0 BCAERO Cc1cc(C(=O)N2C[C@H]([NH3+])[C@@H](C)C2)nn1C ZINC000300952821 352580766 /nfs/dbraw/zinc/58/07/66/352580766.db2.gz UKIZHYQJVTYWJL-CBAPKCEASA-N 1 0 222.292 0.148 10 0 BCAERO CC(C)[C@H](C)NC(=O)N1CC(F)(C[NH3+])C1 ZINC000725273329 538104746 /nfs/dbraw/zinc/10/47/46/538104746.db2.gz VPIIPLPZXPAGKW-QMMMGPOBSA-N 1 0 217.288 0.723 10 0 BCAERO C[C@@H]1C[NH+]=C(NC2CS(=O)(=O)C2)SC1 ZINC000307537750 352643456 /nfs/dbraw/zinc/64/34/56/352643456.db2.gz RGAHCKSYHZAJMR-ZCFIWIBFSA-N 1 0 234.346 0.112 10 0 BCAERO NC(=O)C[N@@H+]1CCS[C@H]2CCC[C@H]21 ZINC000307539400 352643479 /nfs/dbraw/zinc/64/34/79/352643479.db2.gz QEKPWPHUOSZQNJ-SFYZADRCSA-N 1 0 200.307 0.442 10 0 BCAERO C[C@@H]1CN(CC2([S@](C)=O)CC2)CC[NH2+]1 ZINC000307542790 352644462 /nfs/dbraw/zinc/64/44/62/352644462.db2.gz ZZTQVOZJEUBVBB-OTYXRUKQSA-N 1 0 216.350 0.191 10 0 BCAERO CC1(C)CC[C@@H]1[NH2+]C1CS(=O)(=O)C1 ZINC000307541743 352644917 /nfs/dbraw/zinc/64/49/17/352644917.db2.gz YDVPKKKODHVFNK-QMMMGPOBSA-N 1 0 203.307 0.562 10 0 BCAERO C[NH+](C)[C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000307545784 352645755 /nfs/dbraw/zinc/64/57/55/352645755.db2.gz KKRYLDCZGTUISP-IUCAKERBSA-N 1 0 205.323 0.904 10 0 BCAERO C[C@@H]1CC[C@H]1[NH2+][C@H]1C=CS(=O)(=O)C1 ZINC000307545307 352646380 /nfs/dbraw/zinc/64/63/80/352646380.db2.gz JMLYCIVCEKIMKG-HRDYMLBCSA-N 1 0 201.291 0.685 10 0 BCAERO COC(=O)[C@H]1C[NH2+]C[C@H]1C1CCOCC1 ZINC000229213158 352652587 /nfs/dbraw/zinc/65/25/87/352652587.db2.gz NBYDJFXOZNFYIK-UWVGGRQHSA-N 1 0 213.277 0.422 10 0 BCAERO CN(CC1CC1)C(=O)C1(C[NH3+])CCOCC1 ZINC000044763130 352656592 /nfs/dbraw/zinc/65/65/92/352656592.db2.gz NOJNKCNZVDKCIH-UHFFFAOYSA-N 1 0 226.320 0.610 10 0 BCAERO C[S@](=O)N1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000307569083 352656959 /nfs/dbraw/zinc/65/69/59/352656959.db2.gz WWAUBEGLTGBJRF-RWEMILLDSA-N 1 0 202.323 0.496 10 0 BCAERO C[C@@H]1CSCC[N@H+](CC2C[NH2+]C2)C1 ZINC000307590817 352661942 /nfs/dbraw/zinc/66/19/42/352661942.db2.gz CSILEAKXMDETNO-VIFPVBQESA-N 1 0 200.351 0.891 10 0 BCAERO [NH3+]C[C@H](O)Cc1ccc(Br)o1 ZINC000307584922 352661983 /nfs/dbraw/zinc/66/19/83/352661983.db2.gz KBEAOTJLURPHCQ-RXMQYKEDSA-N 1 0 220.066 0.904 10 0 BCAERO Cc1ccc([C@H]2C[NH2+]C[C@@H]2C(N)=O)cn1 ZINC000229234518 352666105 /nfs/dbraw/zinc/66/61/05/352666105.db2.gz WKXXQQIOVOHZNX-ZJUUUORDSA-N 1 0 205.261 0.178 10 0 BCAERO Cc1ccncc1[C@@H]1C[NH2+]C[C@@H]1C(N)=O ZINC000229234351 352666141 /nfs/dbraw/zinc/66/61/41/352666141.db2.gz JWJWUKVBMDWXGW-UWVGGRQHSA-N 1 0 205.261 0.178 10 0 BCAERO CC[C@H](C(N)=S)[N@@H+]1CCC[C@H](O)[C@@H]1C ZINC000307493505 352624830 /nfs/dbraw/zinc/62/48/30/352624830.db2.gz APHAGTQQEVCWIW-YIZRAAEISA-N 1 0 216.350 0.896 10 0 BCAERO CC(=O)Nc1nnc(CCC[NH3+])s1 ZINC000058231972 187783371 /nfs/dbraw/zinc/78/33/71/187783371.db2.gz WFBVVZJKCHQNIJ-UHFFFAOYSA-N 1 0 200.267 0.388 10 0 BCAERO C[C@H]1CN[C@@H](C(=O)NCC2CCCCC2)C[NH2+]1 ZINC000062814443 187784902 /nfs/dbraw/zinc/78/49/02/187784902.db2.gz KTZUXJIIOPSHNB-CMPLNLGQSA-N 1 0 239.363 0.633 10 0 BCAERO C[NH2+][C@@H]1CCN(CCS(C)(=O)=O)[C@@H](C)C1 ZINC000049713092 187807728 /nfs/dbraw/zinc/80/77/28/187807728.db2.gz LMDLSQPGKBGZCH-VHSXEESVSA-N 1 0 234.365 0.103 10 0 BCAERO CC(C)(C)OC(=O)N1CCC[C@@H]([NH3+])[C@H](O)C1 ZINC000142828171 187812468 /nfs/dbraw/zinc/81/24/68/187812468.db2.gz YLLLNYLAZHPCNH-RKDXNWHRSA-N 1 0 230.308 0.706 10 0 BCAERO CC(C)C[C@H](C)[N@@H+]1CCNC[C@H](O)C1 ZINC000307642700 352736316 /nfs/dbraw/zinc/73/63/16/352736316.db2.gz KJVZDBKBQPZXRN-QWRGUYRKSA-N 1 0 200.326 0.687 10 0 BCAERO C[C@H](N(C)C(=O)[C@H]1C[NH2+][C@@H](C)CN1)C(C)(C)C ZINC000062815191 187834689 /nfs/dbraw/zinc/83/46/89/187834689.db2.gz STDVLTNXMSKEBP-GARJFASQSA-N 1 0 241.379 0.829 10 0 BCAERO COC[C@@H]([NH3+])C(=O)NC[C@@H]1CCCC12CC2 ZINC000638794796 352861129 /nfs/dbraw/zinc/86/11/29/352861129.db2.gz HJTXHAAQQXZAHN-VHSXEESVSA-N 1 0 226.320 0.657 10 0 BCAERO Cc1ccc(C[NH2+]C[C@H]2CN(C)CCO2)cn1 ZINC000092055869 538106013 /nfs/dbraw/zinc/10/60/13/538106013.db2.gz HKDAKNUFDFGPEH-ZDUSSCGKSA-N 1 0 235.331 0.810 10 0 BCAERO CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@H]1C[C@@H](OC)C1 ZINC000638809726 352987453 /nfs/dbraw/zinc/98/74/53/352987453.db2.gz WUCMPQRFETUPSR-UKKRHICBSA-N 1 0 228.336 0.901 10 0 BCAERO CO[C@H]1C[C@@H](CNC(=O)C[C@@H]2CCC[NH2+]C2)C1 ZINC000638809730 352987623 /nfs/dbraw/zinc/98/76/23/352987623.db2.gz WVGZCSIFPMNAHK-SDDRHHMPSA-N 1 0 240.347 0.917 10 0 BCAERO O=C1C[C@H]([NH2+][C@@H]2CCC[C@@H](O)C2)CCCN1 ZINC000638858119 353034371 /nfs/dbraw/zinc/03/43/71/353034371.db2.gz LJCCHTOFQDLAGC-GMTAPVOTSA-N 1 0 226.320 0.548 10 0 BCAERO CC[C@](C)(NC(=O)[C@@H]1C[NH2+]CCOC1)C1CC1 ZINC000638858559 353035129 /nfs/dbraw/zinc/03/51/29/353035129.db2.gz SPBACTAZSBTGNN-MFKMUULPSA-N 1 0 240.347 0.917 10 0 BCAERO Cc1cc(C(=O)N2C[C@@H](C)[C@@H](C[NH3+])C2)[nH]n1 ZINC000638889315 353057883 /nfs/dbraw/zinc/05/78/83/353057883.db2.gz PXUVZNDKGHSMJE-APPZFPTMSA-N 1 0 222.292 0.385 10 0 BCAERO COCCCC(=O)N1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000638889152 353057978 /nfs/dbraw/zinc/05/79/78/353057978.db2.gz JRXPNFYNKFYXEJ-ZJUUUORDSA-N 1 0 214.309 0.466 10 0 BCAERO Cc1cc(C(=O)N2C[C@H](C)[C@H](C[NH3+])C2)no1 ZINC000638890660 353058727 /nfs/dbraw/zinc/05/87/27/353058727.db2.gz XNMNPMWUHTUCDD-IONNQARKSA-N 1 0 223.276 0.650 10 0 BCAERO C[C@H]1CN(C(=O)c2ccn(C)n2)C[C@@H]1C[NH3+] ZINC000638900093 353062335 /nfs/dbraw/zinc/06/23/35/353062335.db2.gz GGZLACZAGSMSCZ-IUCAKERBSA-N 1 0 222.292 0.087 10 0 BCAERO COC1CC(C(=O)N2C[C@H](C)[C@@H](C[NH3+])C2)C1 ZINC000638901908 353063791 /nfs/dbraw/zinc/06/37/91/353063791.db2.gz KLSYTZSNXMKACD-XEAZBWPWSA-N 1 0 226.320 0.465 10 0 BCAERO Cn1nnc(Br)c1[C@H]1CC[NH2+]1 ZINC000307271614 353064765 /nfs/dbraw/zinc/06/47/65/353064765.db2.gz RJTUXHIFOYJDBO-SCSAIBSYSA-N 1 0 217.070 0.612 10 0 BCAERO C[C@H]1CN(C(=O)Cc2ccncc2)C[C@H]1C[NH3+] ZINC000638906355 353068119 /nfs/dbraw/zinc/06/81/19/353068119.db2.gz XHMZVAGUTPVGBF-CMPLNLGQSA-N 1 0 233.315 0.677 10 0 BCAERO C[C@H](CS(C)(=O)=O)[NH+]1CCCCC1 ZINC000306823559 353041827 /nfs/dbraw/zinc/04/18/27/353041827.db2.gz QIYJRZDOOODSLN-SECBINFHSA-N 1 0 205.323 0.905 10 0 BCAERO C[C@@H]1CN(C(=O)c2ccnn2C)C[C@@H]1C[NH3+] ZINC000638887564 353049336 /nfs/dbraw/zinc/04/93/36/353049336.db2.gz FSNFAPASIPDMIH-BDAKNGLRSA-N 1 0 222.292 0.087 10 0 BCAERO C[C@@H]1CN(C(=O)c2ccco2)C[C@H]1C[NH3+] ZINC000638889036 353050274 /nfs/dbraw/zinc/05/02/74/353050274.db2.gz ZRRBPIQQBIMGEY-RKDXNWHRSA-N 1 0 208.261 0.946 10 0 BCAERO C[C@H]1CN(C(=O)c2cnn(C)c2)C[C@H]1C[NH3+] ZINC000638885295 353051895 /nfs/dbraw/zinc/05/18/95/353051895.db2.gz NIFYZGKBRFVYAU-DTWKUNHWSA-N 1 0 222.292 0.087 10 0 BCAERO C[C@@H]1CN(C(=O)C[C@H]2CCCO2)C[C@H]1C[NH3+] ZINC000638884772 353052002 /nfs/dbraw/zinc/05/20/02/353052002.db2.gz JQRRTSUCVJCLKX-GMTAPVOTSA-N 1 0 226.320 0.609 10 0 BCAERO C[C@@H]1CN(C(=O)c2ccoc2)C[C@@H]1C[NH3+] ZINC000638885397 353052644 /nfs/dbraw/zinc/05/26/44/353052644.db2.gz CPDCCLZIARQTQI-SCZZXKLOSA-N 1 0 208.261 0.946 10 0 BCAERO C[C@H]1CN(C(=O)c2ccoc2)C[C@H]1C[NH3+] ZINC000638885398 353052721 /nfs/dbraw/zinc/05/27/21/353052721.db2.gz CPDCCLZIARQTQI-WCBMZHEXSA-N 1 0 208.261 0.946 10 0 BCAERO C[C@@H]1CN(C(=O)CC[C@@H]2CCCO2)C[C@@H]1C[NH3+] ZINC000638887047 353053854 /nfs/dbraw/zinc/05/38/54/353053854.db2.gz CEMHWKAEKBXTSE-WOPDTQHZSA-N 1 0 240.347 0.999 10 0 BCAERO Cc1ccc(C(=O)N2C[C@H](C)[C@H](C[NH3+])C2)c(=O)[nH]1 ZINC000638886858 353053921 /nfs/dbraw/zinc/05/39/21/353053921.db2.gz JJUYDSGCMMCTDX-WCBMZHEXSA-N 1 0 249.314 0.762 10 0 BCAERO C[C@@H]1CN(C(=O)[C@H]2CCOC2)C[C@H]1C[NH3+] ZINC000638887117 353054082 /nfs/dbraw/zinc/05/40/82/353054082.db2.gz TVBAHIFCXWIRSC-KXUCPTDWSA-N 1 0 212.293 0.076 10 0 BCAERO C[C@@H]1CN(C(=O)c2ncccc2O)C[C@@H]1C[NH3+] ZINC000638893008 353054497 /nfs/dbraw/zinc/05/44/97/353054497.db2.gz LETCHFZEFBZXPT-BDAKNGLRSA-N 1 0 235.287 0.454 10 0 BCAERO C[C@H]1CN(C(=O)Cc2cccnc2)C[C@H]1C[NH3+] ZINC000638894017 353055177 /nfs/dbraw/zinc/05/51/77/353055177.db2.gz NFRMWSWKSWOAMF-CMPLNLGQSA-N 1 0 233.315 0.677 10 0 BCAERO C1CSC(NC2COCCOC2)=[NH+]1 ZINC000307719607 353108665 /nfs/dbraw/zinc/10/86/65/353108665.db2.gz NKRIXHXOZWSLIV-UHFFFAOYSA-N 1 0 202.279 0.094 10 0 BCAERO C[NH+]1CCC(C)(CNS(C)(=O)=O)CC1 ZINC000226366597 353113438 /nfs/dbraw/zinc/11/34/38/353113438.db2.gz PLFPITCBMIYHOM-UHFFFAOYSA-N 1 0 220.338 0.268 10 0 BCAERO CCCCCN1C[C@H](CC[NH3+])OCC1=O ZINC000077306591 168700959 /nfs/dbraw/zinc/70/09/59/168700959.db2.gz PRWHLFSTALKPEB-JTQLQIEISA-N 1 0 214.309 0.753 10 0 BCAERO Cn1nccc1NC(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000070502949 180850871 /nfs/dbraw/zinc/85/08/71/180850871.db2.gz CMEDZRSROIKBDU-IUCAKERBSA-N 1 0 222.292 0.876 10 0 BCAERO O[C@H]1CC[NH2+]C[C@@H]1NCc1ccccc1 ZINC000536954200 323962278 /nfs/dbraw/zinc/96/22/78/323962278.db2.gz JXPVIKVXPQNYKM-RYUDHWBXSA-N 1 0 206.289 0.499 10 0 BCAERO O[C@@H](CF)C[NH+]1CCC2(CC1)OCCO2 ZINC000307730944 353120450 /nfs/dbraw/zinc/12/04/50/353120450.db2.gz IWODQIHHKXKVQY-VIFPVBQESA-N 1 0 219.256 0.156 10 0 BCAERO CC1(C)/C(=C/CS(C)(=O)=O)C[C@@H]1[NH3+] ZINC000405232145 353149622 /nfs/dbraw/zinc/14/96/22/353149622.db2.gz BPAKXSKGLKRHJO-IPWDFOCMSA-N 1 0 203.307 0.715 10 0 BCAERO CC[C@](C)(O)C[N@H+]1C[C@@H](C)N[C@@H](C)C1 ZINC000229411784 353153123 /nfs/dbraw/zinc/15/31/23/353153123.db2.gz GJPXJBFLSUWGAW-AXFHLTTASA-N 1 0 200.326 0.830 10 0 BCAERO CC1(C)OC(=O)N2Cc3cccc[n+]3C[C@]21O ZINC000000053397 188098461 /nfs/dbraw/zinc/09/84/61/188098461.db2.gz KQTBLIFBHQPXSX-GFCCVEGCSA-N 1 0 235.263 0.407 10 0 BCAERO CC(C)[NH+]1CCN(C[C@@H]2CCC[NH2+]2)CC1 ZINC000036190212 188103669 /nfs/dbraw/zinc/10/36/69/188103669.db2.gz RGAJIRPQYDVLOJ-LBPRGKRZSA-N 1 0 211.353 0.764 10 0 BCAERO C([NH2+]C[C@H]1COCCO1)[C@H]1CCCCO1 ZINC000037999963 188109257 /nfs/dbraw/zinc/10/92/57/188109257.db2.gz BNPRTELJYGSHRD-MNOVXSKESA-N 1 0 215.293 0.561 10 0 BCAERO Cc1n[nH]cc1C[NH2+]CCCS(C)(=O)=O ZINC000038047559 188109455 /nfs/dbraw/zinc/10/94/55/188109455.db2.gz OEMNWXNLGCLDEX-UHFFFAOYSA-N 1 0 231.321 0.242 10 0 BCAERO [NH3+]Cc1ccccc1NC(=O)Cn1ccnc1 ZINC000022164755 188109518 /nfs/dbraw/zinc/10/95/18/188109518.db2.gz UNJFGDOXGZBMKS-UHFFFAOYSA-N 1 0 230.271 0.981 10 0 BCAERO CC(=O)NCCNC1=[NH+][C@H](C)CS1 ZINC000036746537 188112475 /nfs/dbraw/zinc/11/24/75/188112475.db2.gz NDQBJVFVMAHXKN-ZCFIWIBFSA-N 1 0 201.295 0.203 10 0 BCAERO CC(C)[C@H](N)c1nc(CC[NH+](C)C)no1 ZINC000074144247 188115187 /nfs/dbraw/zinc/11/51/87/188115187.db2.gz AXDGQHCJAVOYTH-VIFPVBQESA-N 1 0 212.297 0.830 10 0 BCAERO NC(=O)c1ccccc1C[NH2+]C[C@H]1CCOC1 ZINC000038094140 188117019 /nfs/dbraw/zinc/11/70/19/188117019.db2.gz WUOHEZKBXHXEQQ-SNVBAGLBSA-N 1 0 234.299 0.912 10 0 BCAERO C(NC1=[NH+]CCS1)[C@H]1COCCO1 ZINC000038062792 188117023 /nfs/dbraw/zinc/11/70/23/188117023.db2.gz WKQZLPYATAWXNB-ZETCQYMHSA-N 1 0 202.279 0.094 10 0 BCAERO Brc1ncnc2c1CC[NH2+]C2 ZINC000040435019 188118532 /nfs/dbraw/zinc/11/85/32/188118532.db2.gz SLSHKHWIFDBKQP-UHFFFAOYSA-N 1 0 214.066 0.885 10 0 BCAERO CC(C)N(CC(N)=O)C(=O)[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000042439044 188119688 /nfs/dbraw/zinc/11/96/88/188119688.db2.gz KLYUMJKFEOZPGA-VHSXEESVSA-N 1 0 241.335 0.097 10 0 BCAERO CC(C)N(CC(N)=O)[C@H](C[NH3+])c1ccccc1 ZINC000042899423 188121489 /nfs/dbraw/zinc/12/14/89/188121489.db2.gz VXEJZBQVWAOSEZ-GFCCVEGCSA-N 1 0 235.331 0.882 10 0 BCAERO CC(C)(C[NH3+])C(=O)NC[C@H]1CCC[C@H]1O ZINC000133072232 188145375 /nfs/dbraw/zinc/14/53/75/188145375.db2.gz SKCMTEMQEYSIKY-RKDXNWHRSA-N 1 0 214.309 0.249 10 0 BCAERO CCCn1cccc1C(=O)N[C@@H]1CC[NH2+]C1 ZINC000052093207 188126201 /nfs/dbraw/zinc/12/62/01/188126201.db2.gz UGJNOCSDZOLKQX-SNVBAGLBSA-N 1 0 221.304 0.990 10 0 BCAERO CCCn1cnnc1[C@H](C)N1CC[NH2+]CC1 ZINC000054497849 188126890 /nfs/dbraw/zinc/12/68/90/188126890.db2.gz UWJHTRRGBOXBJQ-JTQLQIEISA-N 1 0 223.324 0.654 10 0 BCAERO CC(C)N(CCO)C(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000055087396 188127193 /nfs/dbraw/zinc/12/71/93/188127193.db2.gz WMPZSTMJXUWAAW-WDEREUQCSA-N 1 0 228.336 0.733 10 0 BCAERO CNc1ncc(C[NH3+])c(C(F)(F)F)n1 ZINC000082639960 188139894 /nfs/dbraw/zinc/13/98/94/188139894.db2.gz USSVIYMMRXORKK-UHFFFAOYSA-N 1 0 206.171 0.996 10 0 BCAERO CC(=O)N1CCN([C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000086409799 188143030 /nfs/dbraw/zinc/14/30/30/188143030.db2.gz QZBDIOHJJKOYKZ-WDEREUQCSA-N 1 0 211.309 0.030 10 0 BCAERO C(CN1CC[NH2+]CC1)O[C@H]1CCCCO1 ZINC000042188236 188150966 /nfs/dbraw/zinc/15/09/66/188150966.db2.gz GBTCKAIXZGZKBV-NSHDSACASA-N 1 0 214.309 0.435 10 0 BCAERO [NH3+]Cc1ccccc1Nc1cncc2nnnn21 ZINC000104312875 188151397 /nfs/dbraw/zinc/15/13/97/188151397.db2.gz MBMUQHSLNVHEEM-UHFFFAOYSA-N 1 0 241.258 0.722 10 0 BCAERO C(CN1CCOCC1)O[C@H]1CCC[NH2+]C1 ZINC000019965448 188174118 /nfs/dbraw/zinc/17/41/18/188174118.db2.gz VIWXKSPRMRLKPH-NSHDSACASA-N 1 0 214.309 0.087 10 0 BCAERO CC(C)COCC[NH2+][C@@H]1CCC(=O)N[C@H]1C ZINC000309319192 188167643 /nfs/dbraw/zinc/16/76/43/188167643.db2.gz DSQHFWVZGWIPSY-WDEREUQCSA-N 1 0 228.336 0.916 10 0 BCAERO FC(F)(F)c1ccnc(CN2CC[NH2+]CC2)n1 ZINC000104052618 180896381 /nfs/dbraw/zinc/89/63/81/180896381.db2.gz DJJNQICPOJGGMI-UHFFFAOYSA-N 1 0 246.236 0.901 10 0 BCAERO C([NH2+][C@@H]1CN2CCC1CC2)[C@@H]1CCOC1 ZINC000019947797 188174342 /nfs/dbraw/zinc/17/43/42/188174342.db2.gz XMLFTPPPTVEFIL-CMPLNLGQSA-N 1 0 210.321 0.707 10 0 BCAERO Brc1nc2n(n1)CCC[NH2+]C2 ZINC000095762355 188146333 /nfs/dbraw/zinc/14/63/33/188146333.db2.gz JMUFDOPMLPKCDE-UHFFFAOYSA-N 1 0 217.070 0.534 10 0 BCAERO CC(C)C[C@H]1CS(=O)(=O)CC[C@H]1[NH3+] ZINC000082379286 188174480 /nfs/dbraw/zinc/17/44/80/188174480.db2.gz SALDPCOGFKLXJI-DTWKUNHWSA-N 1 0 205.323 0.795 10 0 BCAERO O=C(N1C[C@H]2CCC[C@@H](C1)[NH2+]2)C(F)(F)F ZINC000160138884 353250853 /nfs/dbraw/zinc/25/08/53/353250853.db2.gz MRDIZZPWSJMRDB-KNVOCYPGSA-N 1 0 222.210 0.902 10 0 BCAERO Cc1c(C[N@@H+]2CC[C@@H](CCO)C2)cnn1C ZINC000336707530 188183271 /nfs/dbraw/zinc/18/32/71/188183271.db2.gz SQKNHHJHQAXNQI-NSHDSACASA-N 1 0 223.320 0.933 10 0 BCAERO CC(C)[C@H]([NH3+])C(=O)N[C@@]1(C)CCOC1 ZINC000229461124 353259043 /nfs/dbraw/zinc/25/90/43/353259043.db2.gz YTRUMALAFWGDHD-WPRPVWTQSA-N 1 0 200.282 0.265 10 0 BCAERO O=S1(=O)CCC[C@H]([NH2+][C@@H]2CCC[C@@H](O)C2)C1 ZINC000225603583 538113684 /nfs/dbraw/zinc/11/36/84/538113684.db2.gz UVSWVJMPMUPEAU-OUAUKWLOSA-N 1 0 247.360 0.457 10 0 BCAERO C[C@@H]1CO[C@H](CO)CN1C[C@H]1CCC[NH2+]C1 ZINC000251742344 353288008 /nfs/dbraw/zinc/28/80/08/353288008.db2.gz KXIDQCNCIOZBLI-WOPDTQHZSA-N 1 0 228.336 0.068 10 0 BCAERO COC[C@H]([NH3+])C(=O)N[C@@H]1CC[C@H](C)C[C@H]1C ZINC000252210155 353299143 /nfs/dbraw/zinc/29/91/43/353299143.db2.gz XXYPONUINQFSJJ-ZRUFSTJUSA-N 1 0 228.336 0.901 10 0 BCAERO CCN1CCN(C(=O)[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000055086482 353346666 /nfs/dbraw/zinc/34/66/66/353346666.db2.gz NKMWOPPKMHIOCY-NEPJUHHUSA-N 1 0 239.363 0.668 10 0 BCAERO COCCN(CC[NH3+])C(=O)CC(C)C ZINC000122871221 538115596 /nfs/dbraw/zinc/11/55/96/538115596.db2.gz NRDLFSXCSYMDPY-UHFFFAOYSA-N 1 0 202.298 0.466 10 0 BCAERO C[C@@H]([NH3+])[C@@H](C)C(=O)N1CCn2ccnc2C1 ZINC000165438856 353349739 /nfs/dbraw/zinc/34/97/39/353349739.db2.gz VCHNIWCPDQQDQZ-RKDXNWHRSA-N 1 0 222.292 0.209 10 0 BCAERO C[C@@H](C(=O)N1CCn2ccnc2C1)[C@H](C)[NH3+] ZINC000165439025 353349941 /nfs/dbraw/zinc/34/99/41/353349941.db2.gz VCHNIWCPDQQDQZ-BDAKNGLRSA-N 1 0 222.292 0.209 10 0 BCAERO C[C@@H]1CCCCC[N@@H+]1[C@H](C[NH3+])C(=O)[O-] ZINC000252206256 363219284 /nfs/dbraw/zinc/21/92/84/363219284.db2.gz VERNOWQYZUKDTJ-RKDXNWHRSA-N 1 0 200.282 0.663 10 0 BCAERO Cc1cc(N2CCO[C@H]([C@H](C)[NH3+])C2)c(C#N)cn1 ZINC000398971707 353401170 /nfs/dbraw/zinc/40/11/70/353401170.db2.gz AOANDLMWOXVMGF-GWCFXTLKSA-N 1 0 246.314 0.814 10 0 BCAERO Cn1ncc([C@H](O)CC[NH3+])c1Br ZINC000216926874 538117096 /nfs/dbraw/zinc/11/70/96/538117096.db2.gz KEHKOWYDOQSDFJ-ZCFIWIBFSA-N 1 0 234.097 0.565 10 0 BCAERO CC1CC(C(=O)[O-])([N@@H+]2CCC[NH2+]CC2)C1 ZINC000232815835 353582865 /nfs/dbraw/zinc/58/28/65/353582865.db2.gz NGFJEULCAHSWJT-UHFFFAOYSA-N 1 0 212.293 0.535 10 0 BCAERO COc1ccc(OC[C@@H](O)CC[NH3+])cc1 ZINC000020399763 188462844 /nfs/dbraw/zinc/46/28/44/188462844.db2.gz BBTDUKRYKVNBSU-VIFPVBQESA-N 1 0 211.261 0.784 10 0 BCAERO CC(C)(C)[C@@H]1CC[C@H](S(N)(=O)=O)C[NH2+]1 ZINC000232511180 353729981 /nfs/dbraw/zinc/72/99/81/353729981.db2.gz RKMIBSXTNQUIAL-YUMQZZPRSA-N 1 0 220.338 0.442 10 0 BCAERO [NH3+][C@H](CO)[C@@H](O)c1ncc(Cl)s1 ZINC000223302973 353751921 /nfs/dbraw/zinc/75/19/21/353751921.db2.gz XICSUTBLDVWIFU-NQXXGFSBSA-N 1 0 208.670 0.150 10 0 BCAERO CC(C)c1noc(CN2C[C@@H](C)[C@@H]([NH3+])C2)n1 ZINC000232776619 353761344 /nfs/dbraw/zinc/76/13/44/353761344.db2.gz DDVIODMEAQAGRX-BDAKNGLRSA-N 1 0 224.308 0.972 10 0 BCAERO CC(C)c1noc(CN2C[C@H]([NH3+])[C@@H](C)C2)n1 ZINC000232776725 353761572 /nfs/dbraw/zinc/76/15/72/353761572.db2.gz DDVIODMEAQAGRX-IUCAKERBSA-N 1 0 224.308 0.972 10 0 BCAERO CC(C)Cn1ncnc1CN1C[C@H]([NH3+])[C@@H](C)C1 ZINC000232616430 353741397 /nfs/dbraw/zinc/74/13/97/353741397.db2.gz KRXMBWJYVNIFPY-QWRGUYRKSA-N 1 0 237.351 0.713 10 0 BCAERO CC(C)(CNC(=O)[C@H]1CCC[C@H]([NH3+])C1)C(N)=O ZINC000226319039 188512234 /nfs/dbraw/zinc/51/22/34/188512234.db2.gz OKLDNRPRBOJTGK-IUCAKERBSA-N 1 0 241.335 0.132 10 0 BCAERO CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](C)C(C)C ZINC000020309724 353858443 /nfs/dbraw/zinc/85/84/43/353858443.db2.gz HMRLPMZARMUQTP-RKDXNWHRSA-N 1 0 229.324 0.855 10 0 BCAERO CC(C)NC(=O)[C@H](C)N1CC[NH2+]C[C@H]1C ZINC000054374399 188534480 /nfs/dbraw/zinc/53/44/80/188534480.db2.gz JPEWKIFWDCAQST-ZJUUUORDSA-N 1 0 213.325 0.193 10 0 BCAERO CC(C)S(=O)(=O)[C@@H]1CC[C@H]([NH3+])[C@H]1C ZINC000252469268 363284033 /nfs/dbraw/zinc/28/40/33/363284033.db2.gz RAKSQZYGLKRJAM-HRDYMLBCSA-N 1 0 205.323 0.935 10 0 BCAERO CON(C)C(=O)[C@@H]1CCCCCC[NH2+]1 ZINC000301012287 363294087 /nfs/dbraw/zinc/29/40/87/363294087.db2.gz MDCAATAANYPOMN-VIFPVBQESA-N 1 0 200.282 0.929 10 0 BCAERO CO[C@@H]1C[C@@H](CO)[N@H+](C[C@H]2CCCOC2)C1 ZINC000343997071 354064988 /nfs/dbraw/zinc/06/49/88/354064988.db2.gz ZXWZKVCBQSQMIY-GRYCIOLGSA-N 1 0 229.320 0.495 10 0 BCAERO CO[C@H]1C[C@@H](C(N)=O)[N@H+](CC2CCCC2)C1 ZINC000343963305 354075170 /nfs/dbraw/zinc/07/51/70/354075170.db2.gz VPKBEVDAOMAWCW-QWRGUYRKSA-N 1 0 226.320 0.751 10 0 BCAERO C[C@H]([NH3+])/C=C\c1c(Br)nnn1C ZINC000308130526 354139541 /nfs/dbraw/zinc/13/95/41/354139541.db2.gz XDGRQZWBLWSVGX-XUELKZDXSA-N 1 0 231.097 0.938 10 0 BCAERO COC[C@H]([NH3+])C(=O)Nc1cncc(C)c1 ZINC000232077743 363361435 /nfs/dbraw/zinc/36/14/35/363361435.db2.gz CNQKHTAWNRNVIY-VIFPVBQESA-N 1 0 209.249 0.302 10 0 BCAERO CC[C@H]1[NH2+]CC[C@H]1C(=O)N1CCn2ccnc2C1 ZINC000334683753 354429386 /nfs/dbraw/zinc/42/93/86/354429386.db2.gz ISTMSOKSCJISBF-GHMZBOCLSA-N 1 0 248.330 0.613 10 0 BCAERO CCCS(=O)(=O)N[C@H]1CCC[N@H+](CC)C1 ZINC000070265659 354444254 /nfs/dbraw/zinc/44/42/54/354444254.db2.gz IGBVHXHQTHBUPJ-JTQLQIEISA-N 1 0 234.365 0.800 10 0 BCAERO CCOC[C@@H](N[C@H]1CC[NH2+]C1)C(C)C ZINC000233756504 363407420 /nfs/dbraw/zinc/40/74/20/363407420.db2.gz NRDXDGWEGLPNNV-WDEREUQCSA-N 1 0 200.326 0.999 10 0 BCAERO CCOC[C@H](N[C@@H]1CC[NH2+]C1)C(C)C ZINC000233788539 363408292 /nfs/dbraw/zinc/40/82/92/363408292.db2.gz NRDXDGWEGLPNNV-MNOVXSKESA-N 1 0 200.326 0.999 10 0 BCAERO CCN1CCC[C@H]([NH2+]Cc2cnn(C)c2)C1 ZINC000040502451 358493833 /nfs/dbraw/zinc/49/38/33/358493833.db2.gz XSHHGLANJIUCFE-LBPRGKRZSA-N 1 0 222.336 0.994 10 0 BCAERO NC(=[NH2+])CCSc1nnnn1C1CC1 ZINC000019863594 181186213 /nfs/dbraw/zinc/18/62/13/181186213.db2.gz RYPAGTFYAMCNRX-UHFFFAOYSA-N 1 0 212.282 0.426 10 0 BCAERO O=C(Nc1cnns1)[C@@H]1CCC[NH2+]C1 ZINC000166302238 355381689 /nfs/dbraw/zinc/38/16/89/355381689.db2.gz YDVGJWFMVUIGFC-ZCFIWIBFSA-N 1 0 212.278 0.476 10 0 BCAERO NC(=[NH2+])N1CCC(CO)(c2ccccc2)CC1 ZINC000033824284 181188035 /nfs/dbraw/zinc/18/80/35/181188035.db2.gz UDAIOGIRFZYWHH-UHFFFAOYSA-N 1 0 233.315 0.906 10 0 BCAERO NC(=[NH2+])N1CCN(c2nccs2)CC1 ZINC000019874118 181188438 /nfs/dbraw/zinc/18/84/38/181188438.db2.gz PEJYUVJPJHVUNO-UHFFFAOYSA-N 1 0 211.294 0.159 10 0 BCAERO NC(=[NH2+])Nc1cccc([C@@H]([NH3+])P(=O)([O-])[O-])c1 ZINC000096927243 181191447 /nfs/dbraw/zinc/19/14/47/181191447.db2.gz HFYMXJJYHWLVOY-ZETCQYMHSA-N 1 0 244.191 0.127 10 0 BCAERO NC(=[NH2+])c1ccc(OCCN2CCOCC2)cc1 ZINC000019840795 181195036 /nfs/dbraw/zinc/19/50/36/181195036.db2.gz RLKQSEOMHSKWSF-UHFFFAOYSA-N 1 0 249.314 0.682 10 0 BCAERO NC(=[NH2+])c1cccc(I)n1 ZINC000071186742 181195804 /nfs/dbraw/zinc/19/58/04/181195804.db2.gz DMDYWXZUQCHHCX-UHFFFAOYSA-N 1 0 247.039 0.970 10 0 BCAERO NC(=[NH2+])c1ccnc(OC[C@H]2CCCO2)c1 ZINC000019439262 181196964 /nfs/dbraw/zinc/19/69/64/181196964.db2.gz OLODLMDMVYVHDM-SECBINFHSA-N 1 0 221.260 0.923 10 0 BCAERO CCONC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000166467540 355519826 /nfs/dbraw/zinc/51/98/26/355519826.db2.gz GOLNGIFMZIWQOX-UWVGGRQHSA-N 1 0 227.308 0.816 10 0 BCAERO C[NH2+][C@H](C)C(=O)NC[C@H]1CCO[C@@H](C)C1 ZINC000389040301 355527605 /nfs/dbraw/zinc/52/76/05/355527605.db2.gz QMXAQKKPXMMZPR-AEJSXWLSSA-N 1 0 214.309 0.526 10 0 BCAERO Cc1nnsc1C[NH2+]C[C@H]1CC(=O)N(C)C1 ZINC000639319601 355719716 /nfs/dbraw/zinc/71/97/16/355719716.db2.gz FFWMYVPIQJVCAL-MRVPVSSYSA-N 1 0 240.332 0.414 10 0 BCAERO CO[C@](C)(C[NH2+]C[C@H]1CC(=O)N(C)C1)C1CC1 ZINC000639322572 355723794 /nfs/dbraw/zinc/72/37/94/355723794.db2.gz WKGNMHDMNITYIT-ZWNOBZJWSA-N 1 0 240.347 0.869 10 0 BCAERO OCC[NH+]1CCC(NCc2ccccn2)CC1 ZINC000399164154 355778398 /nfs/dbraw/zinc/77/83/98/355778398.db2.gz DODWSNDWCOSVMY-UHFFFAOYSA-N 1 0 235.331 0.628 10 0 BCAERO CCC[C@H](C[NH2+][C@@H]1CCOC[C@@H]1O)OC ZINC000639354122 355803076 /nfs/dbraw/zinc/80/30/76/355803076.db2.gz DKPJDEIWNQNMHN-MXWKQRLJSA-N 1 0 217.309 0.541 10 0 BCAERO COCC1(C[NH2+][C@@H]2CCOC[C@@H]2O)CCC1 ZINC000639355205 355809249 /nfs/dbraw/zinc/80/92/49/355809249.db2.gz QPTNWTZUBNPEHD-MNOVXSKESA-N 1 0 229.320 0.543 10 0 BCAERO NC(=O)C1([NH2+]C2CC2)CCC2(CC1)OCCO2 ZINC000037946656 181213958 /nfs/dbraw/zinc/21/39/58/181213958.db2.gz XEOHNPGCMDBAEE-UHFFFAOYSA-N 1 0 240.303 0.280 10 0 BCAERO [NH3+][C@@H]1CSC[C@@H]1[C@@H]1CCS(=O)(=O)C1 ZINC000223390373 355854225 /nfs/dbraw/zinc/85/42/25/355854225.db2.gz AQERVOBYBNYGQS-BWZBUEFSSA-N 1 0 221.347 0.111 10 0 BCAERO NC(=O)C1CCC([NH2+]Cc2cnc[nH]2)CC1 ZINC000054764940 181216340 /nfs/dbraw/zinc/21/63/40/181216340.db2.gz BECYZXRJJDZAQZ-UHFFFAOYSA-N 1 0 222.292 0.543 10 0 BCAERO Cn1ccs/c1=N\C(=O)C[C@H]1CC[NH2+]C1 ZINC000130267170 191868864 /nfs/dbraw/zinc/86/88/64/191868864.db2.gz SCPYGWFRUVDZBX-GLFQRJSBSA-N 1 0 225.317 0.514 10 0 BCAERO CN(C(=O)[C@H]1CC[C@@H]([NH3+])C1)C1CCOCC1 ZINC000085010787 355910801 /nfs/dbraw/zinc/91/08/01/355910801.db2.gz RZVLRPNXWUARRU-VHSXEESVSA-N 1 0 226.320 0.751 10 0 BCAERO NC(=O)C1CCC([NH2+][C@H]2CCCNC2)CC1 ZINC000043326957 181216923 /nfs/dbraw/zinc/21/69/23/181216923.db2.gz NIRHPEBHLSWQQG-ILDUYXDCSA-N 1 0 225.336 0.372 10 0 BCAERO [NH3+][C@@H]1CC[C@H]2CN(C(=O)Cc3cc[nH]n3)C[C@@H]12 ZINC000351165836 355956916 /nfs/dbraw/zinc/95/69/16/355956916.db2.gz LTVQQEDXEYMDGZ-JMJZKYOTSA-N 1 0 234.303 0.148 10 0 BCAERO C[C@@H]1OCC[C@H]1NC(=O)N1CCC[C@@H]1C[NH3+] ZINC000417953449 191944527 /nfs/dbraw/zinc/94/45/27/191944527.db2.gz PODKBDIZUBAJNO-IVZWLZJFSA-N 1 0 227.308 0.297 10 0 BCAERO NC(=O)CNC1CC[NH+](Cc2ccccc2)CC1 ZINC000019256411 181234849 /nfs/dbraw/zinc/23/48/49/181234849.db2.gz SNSKPMHKAIYNEV-UHFFFAOYSA-N 1 0 247.342 0.726 10 0 BCAERO NC(=O)CNCc1cc(F)c(F)c(F)c1 ZINC000062705426 181236186 /nfs/dbraw/zinc/23/61/86/181236186.db2.gz KSOBOVQIVFCMGE-UHFFFAOYSA-N 1 0 218.178 0.679 10 0 BCAERO NC(=O)COc1ccc(NC2CC[NH2+]CC2)cc1 ZINC000038041126 181239126 /nfs/dbraw/zinc/23/91/26/181239126.db2.gz OQQBJCRVUZMVAW-UHFFFAOYSA-N 1 0 249.314 0.715 10 0 BCAERO NC(=O)CC[C@@H]([NH3+])c1ccc2c(c1)CC(=O)N2 ZINC000037635921 181226306 /nfs/dbraw/zinc/22/63/06/181226306.db2.gz RQUDRYQECVRRNF-SECBINFHSA-N 1 0 233.271 0.447 10 0 BCAERO NC(=O)CN(C1CCCC1)[C@@H]1CC[NH2+]C1 ZINC000051783343 181229815 /nfs/dbraw/zinc/22/98/15/181229815.db2.gz MZZDPRSZKMVAHC-SNVBAGLBSA-N 1 0 211.309 0.078 10 0 BCAERO NC(=O)N1CCC([NH2+]CCc2ccncc2)CC1 ZINC000048262126 181250349 /nfs/dbraw/zinc/25/03/49/181250349.db2.gz ZMUSJAOXAJPFRH-UHFFFAOYSA-N 1 0 248.330 0.757 10 0 BCAERO NC(=O)Cc1ccccc1NC1CC[NH2+]CC1 ZINC000038041330 181247697 /nfs/dbraw/zinc/24/76/97/181247697.db2.gz HLYAYBSXBJKDPN-UHFFFAOYSA-N 1 0 233.315 0.878 10 0 BCAERO NC(=O)NC(=O)C[NH2+]CCc1ccccc1 ZINC000020050655 181254118 /nfs/dbraw/zinc/25/41/18/181254118.db2.gz KEEOEVFJVVFUBX-UHFFFAOYSA-N 1 0 221.260 0.014 10 0 BCAERO NC(=O)NC(=O)C[NH2+]Cc1ccc(Cl)cc1 ZINC000020210013 181254717 /nfs/dbraw/zinc/25/47/17/181254717.db2.gz DTUGRPZRPRVKAE-UHFFFAOYSA-N 1 0 241.678 0.625 10 0 BCAERO NC(=O)NC(=O)C[NH2+]Cc1cccc(Cl)c1 ZINC000048372124 181254772 /nfs/dbraw/zinc/25/47/72/181254772.db2.gz LKEJBWXAUOTZHD-UHFFFAOYSA-N 1 0 241.678 0.625 10 0 BCAERO NC(=O)NC(=O)C[NH2+][C@H]1CCc2ccccc2C1 ZINC000048372172 181256095 /nfs/dbraw/zinc/25/60/95/181256095.db2.gz WCUAQQDXRJSJDU-NSHDSACASA-N 1 0 247.298 0.328 10 0 BCAERO O[C@@H]1C[NH2+]C[C@@H]1CNc1ncccc1F ZINC000420253010 192187663 /nfs/dbraw/zinc/18/76/63/192187663.db2.gz PBSLGWLTCNHCTP-VXNVDRBHSA-N 1 0 211.240 0.213 10 0 BCAERO O[C@H]1C[NH2+]C[C@H]1CNc1ncccc1F ZINC000420253008 192187735 /nfs/dbraw/zinc/18/77/35/192187735.db2.gz PBSLGWLTCNHCTP-CBAPKCEASA-N 1 0 211.240 0.213 10 0 BCAERO NC(=O)[C@@H]1CCC[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000251517119 181268837 /nfs/dbraw/zinc/26/88/37/181268837.db2.gz WHNZKQHFXFTDPB-WDEREUQCSA-N 1 0 225.336 0.183 10 0 BCAERO NC(=O)[C@@]1([NH2+]C2CCCC2)CCN(C2CC2)C1 ZINC000061991090 181276311 /nfs/dbraw/zinc/27/63/11/181276311.db2.gz YRHHBVOVAKLLSF-CYBMUJFWSA-N 1 0 237.347 0.611 10 0 BCAERO NC(=O)[C@H]([NH3+])c1ccc(OC(F)F)cc1 ZINC000037460213 181277061 /nfs/dbraw/zinc/27/70/61/181277061.db2.gz MBWWSYVCCLBDBP-SSDOTTSWSA-N 1 0 216.187 0.773 10 0 BCAERO NC(=[NH2+])c1cc(Br)cnc1N ZINC000142518833 356470852 /nfs/dbraw/zinc/47/08/52/356470852.db2.gz HQTCLUANUWCGTL-UHFFFAOYSA-N 1 0 215.054 0.710 10 0 BCAERO NC(=O)[C@H](c1cccs1)N1CC[NH2+]CC1 ZINC000041672019 181279937 /nfs/dbraw/zinc/27/99/37/181279937.db2.gz IOXBXNVVCYEBHE-VIFPVBQESA-N 1 0 225.317 0.180 10 0 BCAERO NC(=O)[C@H](c1cccs1)N1CCC[NH2+]CC1 ZINC000041671959 181280014 /nfs/dbraw/zinc/28/00/14/181280014.db2.gz ITEDUUXNGBCYMX-JTQLQIEISA-N 1 0 239.344 0.570 10 0 BCAERO NC(=O)[C@H]1CCC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000043493500 181280972 /nfs/dbraw/zinc/28/09/72/181280972.db2.gz WHNZKQHFXFTDPB-MNOVXSKESA-N 1 0 225.336 0.183 10 0 BCAERO C[C@@H]1C[C@H](C(=O)N2C[C@H](C)[C@H](C[NH3+])C2)[C@H](C)O1 ZINC000630090812 363492156 /nfs/dbraw/zinc/49/21/56/363492156.db2.gz DFFMHADODAJEFJ-MJDLHHQISA-N 1 0 240.347 0.853 10 0 BCAERO C[C@H]([NH2+][C@@H]1CCC(=O)N[C@@H]1C)c1ncc[nH]1 ZINC000309423143 491097891 /nfs/dbraw/zinc/09/78/91/491097891.db2.gz KAIXZPSJHRRNCP-HRDYMLBCSA-N 1 0 222.292 0.727 10 0 BCAERO COC(=O)[C@@H]1CC[NH2+][C@@H]([C@H]2CCCO2)C1 ZINC000675050605 538472397 /nfs/dbraw/zinc/47/23/97/538472397.db2.gz ZYDKDGJNQHDKSV-OPRDCNLKSA-N 1 0 213.277 0.707 10 0 BCAERO CC(=O)NC[C@@H]1[NH2+]CCOc2ccccc21 ZINC000675057405 538480206 /nfs/dbraw/zinc/48/02/06/538480206.db2.gz AAJZBRKXTRUMJH-NSHDSACASA-N 1 0 220.272 0.846 10 0 BCAERO CCC[C@]1(CNC(=O)C2CC2)C[NH2+]CCO1 ZINC000675059548 538484212 /nfs/dbraw/zinc/48/42/12/538484212.db2.gz SCQPLIUJCMBXAK-GFCCVEGCSA-N 1 0 226.320 0.671 10 0 BCAERO CCC(C)(C)NC(=O)NC[C@]1(C)C[NH2+]CCO1 ZINC000675058915 538481829 /nfs/dbraw/zinc/48/18/29/538481829.db2.gz BPEUTPHJMWXAMS-LBPRGKRZSA-N 1 0 243.351 0.853 10 0 BCAERO COc1nscc1[C@@H]1CC[NH2+]C[C@@H]1N ZINC000675058970 538482260 /nfs/dbraw/zinc/48/22/60/538482260.db2.gz DWKSARVQXRJJJC-XPUUQOCRSA-N 1 0 213.306 0.556 10 0 BCAERO CCCCNC(=O)N1CCO[C@](C)(C[NH3+])C1 ZINC000675059302 538482970 /nfs/dbraw/zinc/48/29/70/538482970.db2.gz NFGDZTKSWWCANG-LLVKDONJSA-N 1 0 229.324 0.546 10 0 BCAERO CC(C)(C)NC(=O)N1CCO[C@@](C)(C[NH3+])C1 ZINC000675059050 538483025 /nfs/dbraw/zinc/48/30/25/538483025.db2.gz IQLCJXLPCHNDDM-NSHDSACASA-N 1 0 229.324 0.544 10 0 BCAERO CC1(C(=O)N2CCO[C@](C)(C[NH3+])C2)CC1 ZINC000675059030 538483057 /nfs/dbraw/zinc/48/30/57/538483057.db2.gz HJSLKMKFWQNHHF-LLVKDONJSA-N 1 0 212.293 0.363 10 0 BCAERO CCC[C@@]1(C[NH3+])CN(C(=O)NCC)CCO1 ZINC000675059275 538483180 /nfs/dbraw/zinc/48/31/80/538483180.db2.gz MNIUYPVZQLBHBT-LLVKDONJSA-N 1 0 229.324 0.546 10 0 BCAERO CCC[C@]1(C[NH3+])CN(C(=O)C2CC2)CCO1 ZINC000675059318 538483263 /nfs/dbraw/zinc/48/32/63/538483263.db2.gz NZSPFDLIVSEUPY-LBPRGKRZSA-N 1 0 226.320 0.753 10 0 BCAERO CCC[C@]1(CNC(=O)NC(C)C)C[NH2+]CCO1 ZINC000675059150 538483374 /nfs/dbraw/zinc/48/33/74/538483374.db2.gz MBUQANDDYQVDKS-GFCCVEGCSA-N 1 0 243.351 0.853 10 0 BCAERO CS(=O)(=O)N1CC[C@@]2(C[NH3+])CCC[C@@H]12 ZINC000675056598 538478865 /nfs/dbraw/zinc/47/88/65/538478865.db2.gz TTYDIXMBJOURTP-RKDXNWHRSA-N 1 0 218.322 0.149 10 0 BCAERO C[C@@]1(CNC(=O)CC2CC2)C[NH2+]CCO1 ZINC000675059902 538484851 /nfs/dbraw/zinc/48/48/51/538484851.db2.gz XKOUEFFIGKYGBT-NSHDSACASA-N 1 0 212.293 0.281 10 0 BCAERO O=C([O-])[C@@H]1CC[C@H](C2CC[NH2+]CC2)C[NH2+]1 ZINC000675060014 538485094 /nfs/dbraw/zinc/48/50/94/538485094.db2.gz PZUSWZAZIPPOCQ-UWVGGRQHSA-N 1 0 212.293 0.439 10 0 BCAERO CC[C@]1(C[NH3+])CN(C(=O)CC(C)C)CCO1 ZINC000675059727 538485245 /nfs/dbraw/zinc/48/52/45/538485245.db2.gz VRRZRYMFWYDZOG-LBPRGKRZSA-N 1 0 228.336 0.999 10 0 BCAERO CC[C@@]1(C[NH3+])CN(C(=O)C(C)(C)C)CCO1 ZINC000675059864 538486343 /nfs/dbraw/zinc/48/63/43/538486343.db2.gz WSQMFIOGUIWWGY-GFCCVEGCSA-N 1 0 228.336 0.999 10 0 BCAERO CC(C)N(C(C)C)[C@@H]1C[NH2+]CC[C@@H]1O ZINC000675060829 538486618 /nfs/dbraw/zinc/48/66/18/538486618.db2.gz QELPDULJNUJFSN-MNOVXSKESA-N 1 0 200.326 0.828 10 0 BCAERO C[C@@H]1C[C@@H](O)C[N@@H+]([C@@H]2CCCC[C@H]2O)C1 ZINC000401501343 538490518 /nfs/dbraw/zinc/49/05/18/538490518.db2.gz OSOBVRGHHJXNRY-DDHJBXDOSA-N 1 0 213.321 0.993 10 0 BCAERO O=C1NCCC[NH2+][C@@H]1Cc1ccncc1 ZINC000675068764 538497182 /nfs/dbraw/zinc/49/71/82/538497182.db2.gz SKKYPGRVQUTJCA-SNVBAGLBSA-N 1 0 205.261 0.102 10 0 BCAERO COC(=O)[C@H]1CCN(c2cc[nH+]cc2C=O)C1 ZINC000675067309 538493661 /nfs/dbraw/zinc/49/36/61/538493661.db2.gz FHTMBLMQZLTIBT-VIFPVBQESA-N 1 0 234.255 0.893 10 0 BCAERO Cc1nn(C)cc1CC1=C[C@H](O)C[NH2+]C1 ZINC000675076595 538511776 /nfs/dbraw/zinc/51/17/76/538511776.db2.gz DSLNLRNILOTXOK-NSHDSACASA-N 1 0 207.277 0.162 10 0 BCAERO CCCNC(=O)N1CCC[C@H]2C[C@]21C[NH3+] ZINC000675069826 538499232 /nfs/dbraw/zinc/49/92/32/538499232.db2.gz INKMRMAZSZYYPO-ONGXEEELSA-N 1 0 211.309 0.919 10 0 BCAERO [NH3+][C@@H]1C[C@@H]2C[C@@H](CNC(=O)C3CC3)C[C@H]12 ZINC000675069856 538499314 /nfs/dbraw/zinc/49/93/14/538499314.db2.gz IUGNHKZNCRXVRP-GRLWKWRFSA-N 1 0 208.305 0.886 10 0 BCAERO CCCS(=O)(=O)N1CCC[C@@H]2C[C@@]21C[NH3+] ZINC000675070012 538500084 /nfs/dbraw/zinc/50/00/84/538500084.db2.gz KNBRCKRQKVWCAR-NXEZZACHSA-N 1 0 232.349 0.539 10 0 BCAERO CCS(=O)(=O)NC[C@]12C[C@H]1CCC[NH2+]2 ZINC000675070200 538500123 /nfs/dbraw/zinc/50/01/23/538500123.db2.gz NBPMCVTULQCMCM-RKDXNWHRSA-N 1 0 218.322 0.068 10 0 BCAERO O=S(=O)(NC[C@]12C[C@H]1CCC[NH2+]2)C1CC1 ZINC000675070848 538500866 /nfs/dbraw/zinc/50/08/66/538500866.db2.gz UAFSCYWXHYDPBA-PSASIEDQSA-N 1 0 230.333 0.210 10 0 BCAERO CC(C)S(=O)(=O)N[C@@H]1C[C@@H]2C[C@H](C[NH3+])C[C@@H]12 ZINC000675070303 538500912 /nfs/dbraw/zinc/50/09/12/538500912.db2.gz NYOVRKCSCGGMPG-UKKRHICBSA-N 1 0 246.376 0.688 10 0 BCAERO COc1ncccc1C1=C[C@@H](O)C[NH2+]C1 ZINC000675076350 538511533 /nfs/dbraw/zinc/51/15/33/538511533.db2.gz BJSZVPPHGIBLBA-SECBINFHSA-N 1 0 206.245 0.438 10 0 BCAERO Cc1nc(CC2=C[C@@H](N)C[NH2+]C2)cs1 ZINC000675076312 538511563 /nfs/dbraw/zinc/51/15/63/538511563.db2.gz AXOJHYHLKPZYAX-SECBINFHSA-N 1 0 209.318 0.851 10 0 BCAERO CCOC(=O)N1CCC2(CC1)C[NH2+]CCO2 ZINC000675075193 538508531 /nfs/dbraw/zinc/50/85/31/538508531.db2.gz MMGNYORTRWPIRY-UHFFFAOYSA-N 1 0 228.292 0.597 10 0 BCAERO Cc1cn(C)nc1CC1=C[C@H](O)C[NH2+]C1 ZINC000675076642 538511642 /nfs/dbraw/zinc/51/16/42/538511642.db2.gz FLSKNGLXKNRPQB-JTQLQIEISA-N 1 0 207.277 0.162 10 0 BCAERO CC[C@@H]([NH3+])CNc1cnn(C)c(=O)c1Cl ZINC000167915447 134154764 /nfs/dbraw/zinc/15/47/64/134154764.db2.gz WMMWGHBCHPAUIU-ZCFIWIBFSA-N 1 0 230.699 0.583 10 0 BCAERO COC(=O)[C@H](C)NC[C@@H]1C[NH2+]CC12CC2 ZINC000675076092 538510367 /nfs/dbraw/zinc/51/03/67/538510367.db2.gz YRGFIFDIPFEBNS-IUCAKERBSA-N 1 0 212.293 0.137 10 0 BCAERO Cc1csc(CC2=C[C@H](N)C[NH2+]C2)n1 ZINC000675076387 538511040 /nfs/dbraw/zinc/51/10/40/538511040.db2.gz CGMCIELSRWYHST-VIFPVBQESA-N 1 0 209.318 0.851 10 0 BCAERO O[C@@H]1C=C(c2cnc(C3CC3)o2)C[NH2+]C1 ZINC000675076522 538511168 /nfs/dbraw/zinc/51/11/68/538511168.db2.gz CUKPEOZTBLZFDV-SECBINFHSA-N 1 0 206.245 0.900 10 0 BCAERO CCC[C@@H](C)C(=O)NCCC1(O)C[NH2+]C1 ZINC000675069308 538498120 /nfs/dbraw/zinc/49/81/20/538498120.db2.gz GSYNHXDXGQIATF-SECBINFHSA-N 1 0 214.309 0.263 10 0 BCAERO Cn1cc(CCC2=C[C@@H](O)C[NH2+]C2)cn1 ZINC000675077665 538513676 /nfs/dbraw/zinc/51/36/76/538513676.db2.gz PXAMWQHXKYETHF-LLVKDONJSA-N 1 0 207.277 0.243 10 0 BCAERO COc1cncc(C2=C[C@H]([NH3+])CNC2)c1 ZINC000675078440 538514623 /nfs/dbraw/zinc/51/46/23/538514623.db2.gz PQMJMTSUUBTQDR-JTQLQIEISA-N 1 0 205.261 0.404 10 0 BCAERO Nc1ncccc1CC1=C[C@H](N)C[NH2+]C1 ZINC000675077887 538514682 /nfs/dbraw/zinc/51/46/82/538514682.db2.gz JSNBBXSSTUAYTP-JTQLQIEISA-N 1 0 204.277 0.063 10 0 BCAERO O[C@H]1C=C(c2c(F)cncc2F)C[NH2+]C1 ZINC000675078028 538515476 /nfs/dbraw/zinc/51/54/76/538515476.db2.gz UTGOUQZROBYCAQ-ZETCQYMHSA-N 1 0 212.199 0.707 10 0 BCAERO CC1=C(C)C[C@@H](C[NH+](C)C)[C@H](S(N)(=O)=O)C1 ZINC000675078944 538517387 /nfs/dbraw/zinc/51/73/87/538517387.db2.gz NUMIJELLLBMNNB-WDEREUQCSA-N 1 0 246.376 0.952 10 0 BCAERO CC1=C(C)C[C@@H](S(N)(=O)=O)[C@@H](C[NH+](C)C)C1 ZINC000675078936 538518146 /nfs/dbraw/zinc/51/81/46/538518146.db2.gz NUMIJELLLBMNNB-GHMZBOCLSA-N 1 0 246.376 0.952 10 0 BCAERO [NH3+][C@H](C1=CCCO1)[C@H]1CSCCO1 ZINC000168232836 356693896 /nfs/dbraw/zinc/69/38/96/356693896.db2.gz YLXGCALHYPOSNY-RKDXNWHRSA-N 1 0 201.291 0.750 10 0 BCAERO COc1cc(C2=C[C@H]([NH3+])CNC2)sn1 ZINC000675077293 538512337 /nfs/dbraw/zinc/51/23/37/538512337.db2.gz BUHSZWHMVNGDOY-ZETCQYMHSA-N 1 0 211.290 0.466 10 0 BCAERO Cn1nc(CC2=C[C@H](O)C[NH2+]C2)cc1Cl ZINC000675076945 538512352 /nfs/dbraw/zinc/51/23/52/538512352.db2.gz HROZXPYCXKCFIY-VIFPVBQESA-N 1 0 227.695 0.507 10 0 BCAERO CCc1nnc(CC2=C[C@@H](O)C[NH2+]C2)s1 ZINC000675076958 538512857 /nfs/dbraw/zinc/51/28/57/538512857.db2.gz HXXSQPZLOBMUAG-MRVPVSSYSA-N 1 0 225.317 0.534 10 0 BCAERO Cc1cnc(CC2=C[C@@H](O)C[NH2+]C2)s1 ZINC000675077650 538513209 /nfs/dbraw/zinc/51/32/09/538513209.db2.gz PNHUSJXKJKDWGZ-SECBINFHSA-N 1 0 210.302 0.885 10 0 BCAERO CC(C)S(=O)(=O)NCC1CC([NH3+])C1 ZINC000084447574 538532942 /nfs/dbraw/zinc/53/29/42/538532942.db2.gz KYGAKHQVRIEWII-UHFFFAOYSA-N 1 0 206.311 0.052 10 0 BCAERO COc1ccc2[nH]c([C@H](O)C[NH3+])nc2c1 ZINC000085226929 538538884 /nfs/dbraw/zinc/53/88/84/538538884.db2.gz SLFPPLGVEMMJQC-SECBINFHSA-N 1 0 207.233 0.564 10 0 BCAERO CCc1cnn(CC[C@@H]([NH3+])C(=O)OC)c1 ZINC000401997115 538542726 /nfs/dbraw/zinc/54/27/26/538542726.db2.gz BRMBYSIKNLOQGI-SECBINFHSA-N 1 0 211.265 0.336 10 0 BCAERO C[N@@H+]1CCCC[C@@H]1CCn1cc(N)nn1 ZINC000086491498 538554828 /nfs/dbraw/zinc/55/48/28/538554828.db2.gz JQJCZGPBMMBKQP-SECBINFHSA-N 1 0 209.297 0.735 10 0 BCAERO Cc1nccn1[C@H]1CC[C@@]([NH3+])(C(N)=O)C1 ZINC000086626642 538557488 /nfs/dbraw/zinc/55/74/88/538557488.db2.gz XFZMBVXMNHXSET-WPRPVWTQSA-N 1 0 208.265 0.099 10 0 BCAERO COC(=O)C(=O)[C@H](C)[C@@H]1CCC[C@@H](C)[NH2+]1 ZINC000130374949 538590530 /nfs/dbraw/zinc/59/05/30/538590530.db2.gz NEUIFICODUBNTQ-HLTSFMKQSA-N 1 0 213.277 0.895 10 0 BCAERO Cn1ncc([C@@H](O)CC[NH3+])c1Br ZINC000216926899 538645264 /nfs/dbraw/zinc/64/52/64/538645264.db2.gz KEHKOWYDOQSDFJ-LURJTMIESA-N 1 0 234.097 0.565 10 0 BCAERO CNC(=O)CCC[N@@H+]1CCC[C@H](O)[C@@H]1C ZINC000384870021 356788785 /nfs/dbraw/zinc/78/87/85/356788785.db2.gz OPFYVCSEASYNSR-UWVGGRQHSA-N 1 0 214.309 0.358 10 0 BCAERO CCS(=O)(=O)NC[C@H]1CC[C@@H]([NH3+])C1 ZINC000227627856 538699417 /nfs/dbraw/zinc/69/94/17/538699417.db2.gz QFRUBGBWXHXDIU-JGVFFNPUSA-N 1 0 206.311 0.053 10 0 BCAERO [NH3+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCOC2)C1 ZINC000257714824 538748856 /nfs/dbraw/zinc/74/88/56/538748856.db2.gz RSOFFEVFGUKBTJ-LPEHRKFASA-N 1 0 212.293 0.267 10 0 BCAERO NC(=O)c1cc(N)cnc1NCC[NH+]1CCCC1 ZINC000054112152 181289459 /nfs/dbraw/zinc/28/94/59/181289459.db2.gz ODETUFZAYOAOHR-UHFFFAOYSA-N 1 0 249.318 0.270 10 0 BCAERO CC[C@@H](C)[NH+]1CCN(C(N)=S)CC1 ZINC000002599539 356980323 /nfs/dbraw/zinc/98/03/23/356980323.db2.gz RYRRGIRCOYWSLX-MRVPVSSYSA-N 1 0 201.339 0.646 10 0 BCAERO C(NC1=[NH+]CCN1)[C@H]1CSCCS1 ZINC000129856354 356992882 /nfs/dbraw/zinc/99/28/82/356992882.db2.gz JHFHSWILWAXXEH-ZETCQYMHSA-N 1 0 217.363 0.384 10 0 BCAERO NC(=O)c1cc(N)ccc1NCC[NH+]1CCCC1 ZINC000054128828 181289821 /nfs/dbraw/zinc/28/98/21/181289821.db2.gz KJGQUDJCMDDLSF-UHFFFAOYSA-N 1 0 248.330 0.875 10 0 BCAERO CCCCOC[C@H](O)C[NH2+][C@H](C)[C@H](C)CO ZINC000300229492 357035470 /nfs/dbraw/zinc/03/54/70/357035470.db2.gz XTGPEFBWJWYLJY-IJLUTSLNSA-N 1 0 233.352 0.771 10 0 BCAERO CC(C)(O)C[NH2+][C@@H](CO)CC(F)(F)F ZINC000582301515 357037624 /nfs/dbraw/zinc/03/76/24/357037624.db2.gz IXRCZXFYOAWKSZ-ZCFIWIBFSA-N 1 0 215.215 0.660 10 0 BCAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)CN(C)C ZINC000120808951 357065767 /nfs/dbraw/zinc/06/57/67/357065767.db2.gz MWKHFRRDDVEVKP-GFCCVEGCSA-N 1 0 241.379 0.785 10 0 BCAERO CCC[C@@H](C)C(=O)NC[C@]1(O)CC[NH2+]C1 ZINC000157085246 538808405 /nfs/dbraw/zinc/80/84/05/538808405.db2.gz XVQXTJKYGGKUTF-KOLCDFICSA-N 1 0 214.309 0.263 10 0 BCAERO C[C@]1(O)CC[N@H+](C[C@H]2CCOCO2)C1 ZINC000300011604 357169509 /nfs/dbraw/zinc/16/95/09/357169509.db2.gz SNXJWMLGYFWZFK-ZJUUUORDSA-N 1 0 201.266 0.206 10 0 BCAERO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]12)C(F)F ZINC000300042395 357176314 /nfs/dbraw/zinc/17/63/14/357176314.db2.gz PFKDUTUHZWIVNR-RNFRBKRXSA-N 1 0 204.220 0.604 10 0 BCAERO CCC[C@H](C)C(=O)NC[C@@]1(O)CC[NH2+]C1 ZINC000157085689 538809898 /nfs/dbraw/zinc/80/98/98/538809898.db2.gz XVQXTJKYGGKUTF-GXSJLCMTSA-N 1 0 214.309 0.263 10 0 BCAERO CCS(=O)(=O)NC[C@@]1(C)CCC[NH2+]1 ZINC000157173663 538811295 /nfs/dbraw/zinc/81/12/95/538811295.db2.gz SCGIHVLSCORZAL-MRVPVSSYSA-N 1 0 206.311 0.068 10 0 BCAERO NC(=O)c1cc(NC[C@@H]2CCC[NH2+]2)ccn1 ZINC000053254995 181290742 /nfs/dbraw/zinc/29/07/42/181290742.db2.gz XBCVGZKFTBRQAF-VIFPVBQESA-N 1 0 220.276 0.344 10 0 BCAERO NC(=O)CN1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000393928342 357307067 /nfs/dbraw/zinc/30/70/67/357307067.db2.gz PWXABNNNEPEERX-NEPJUHHUSA-N 1 0 233.315 0.146 10 0 BCAERO Cc1nnsc1C[NH2+][C@@H]1CCC(=O)N[C@H]1C ZINC000392881335 357260943 /nfs/dbraw/zinc/26/09/43/357260943.db2.gz VFUHRJJKMCQZES-POYBYMJQSA-N 1 0 240.332 0.603 10 0 BCAERO C[C@H]1NC(=O)CC[C@@H]1[NH2+]Cc1ccc(CO)o1 ZINC000392880834 357261085 /nfs/dbraw/zinc/26/10/85/357261085.db2.gz VDUSEKMWYILYCC-KCJUWKMLSA-N 1 0 238.287 0.529 10 0 BCAERO C[C@H]1NC(=O)CC[C@@H]1[NH2+]CCCC(=O)N(C)C ZINC000393038981 357266162 /nfs/dbraw/zinc/26/61/62/357266162.db2.gz ZBEAXVLNRCLGJD-ZJUUUORDSA-N 1 0 241.335 0.112 10 0 BCAERO CCN1CC[C@@H]([NH2+]C[C@@H](C)COC)C1 ZINC000393239598 357279532 /nfs/dbraw/zinc/27/95/32/357279532.db2.gz NEQQQFXGFJDVEB-GHMZBOCLSA-N 1 0 200.326 0.953 10 0 BCAERO COc1cc(OC)nc(N[C@@H]2CC[NH2+]C2)n1 ZINC000168448295 134198125 /nfs/dbraw/zinc/19/81/25/134198125.db2.gz TZSBXBNRGXVZMY-SSDOTTSWSA-N 1 0 224.264 0.268 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N1CCOCC12CCC2 ZINC000582673350 357360212 /nfs/dbraw/zinc/36/02/12/357360212.db2.gz WAAJYKDAVJKZNZ-JTQLQIEISA-N 1 0 226.320 0.895 10 0 BCAERO C[C@@H]([NH3+])[C@@H](C)Nc1ccc2nccnc2n1 ZINC000394498927 357362367 /nfs/dbraw/zinc/36/23/67/357362367.db2.gz KURHRPYDXVPYRU-HTQZYQBOSA-N 1 0 217.276 0.546 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@@]1(C)CCOC1 ZINC000397151241 357505064 /nfs/dbraw/zinc/50/50/64/357505064.db2.gz JHIAWRXHDDYICA-CKYFFXLPSA-N 1 0 226.320 0.385 10 0 BCAERO O=C1NCC[C@H]1CC[N@H+]1CC[C@@H](CCO)C1 ZINC000395808498 357457101 /nfs/dbraw/zinc/45/71/01/357457101.db2.gz DGGXBBLWBJKCIK-QWRGUYRKSA-N 1 0 226.320 0.217 10 0 BCAERO CS(=O)(=O)CC1(CN2CCC[C@H]2C[NH3+])CC1 ZINC000583145357 357493953 /nfs/dbraw/zinc/49/39/53/357493953.db2.gz NAYNRCPHCZDIAS-JTQLQIEISA-N 1 0 246.376 0.234 10 0 BCAERO COCCC(=O)N1CC[C@@H](CC[NH3+])C1 ZINC000160000575 538880998 /nfs/dbraw/zinc/88/09/98/538880998.db2.gz CEOYPWAJIGPYEA-SECBINFHSA-N 1 0 200.282 0.220 10 0 BCAERO COCCC(=O)N1CC[C@H](CC[NH3+])C1 ZINC000160000517 538881074 /nfs/dbraw/zinc/88/10/74/538881074.db2.gz CEOYPWAJIGPYEA-VIFPVBQESA-N 1 0 200.282 0.220 10 0 BCAERO C[C@@H]1C(=O)NCCCN1Cc1ccncc1 ZINC000189077927 357603309 /nfs/dbraw/zinc/60/33/09/357603309.db2.gz BDUGPYZKFDFJLU-SNVBAGLBSA-N 1 0 219.288 0.792 10 0 BCAERO C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000189208081 357609335 /nfs/dbraw/zinc/60/93/35/357609335.db2.gz TXGROQKERZMZFL-SDDRHHMPSA-N 1 0 240.347 0.869 10 0 BCAERO CC(C)NC(=O)N1CCCC2(C[NH2+]C2)C1 ZINC000685946610 538885939 /nfs/dbraw/zinc/88/59/39/538885939.db2.gz CYXKKVIBDGIOEH-UHFFFAOYSA-N 1 0 211.309 0.790 10 0 BCAERO CCCCNC(=O)N1CC[C@@H]([NH3+])[C@H](F)C1 ZINC000685946708 538886942 /nfs/dbraw/zinc/88/69/42/538886942.db2.gz UWAMDQPTMZAFLU-RKDXNWHRSA-N 1 0 217.288 0.867 10 0 BCAERO COCCNC(=O)N1CCC[C@]1(C)C[NH3+] ZINC000685946711 538887008 /nfs/dbraw/zinc/88/70/08/538887008.db2.gz BJWPVLUCQNPMFE-SNVBAGLBSA-N 1 0 215.297 0.156 10 0 BCAERO CC(C)NC(=O)N[C@@H]1CC[NH2+]C[C@@H]1F ZINC000685945903 538887759 /nfs/dbraw/zinc/88/77/59/538887759.db2.gz FPMKFQUPEKTHAC-JGVFFNPUSA-N 1 0 203.261 0.394 10 0 BCAERO CC(C)(C)C(=O)N[C@H]1CC[NH2+]C[C@H]1F ZINC000685946310 538888021 /nfs/dbraw/zinc/88/80/21/538888021.db2.gz NVIDKQKRPSILSE-SFYZADRCSA-N 1 0 202.273 0.849 10 0 BCAERO CC(C)CNC(=O)N[C@@H]1CC[NH2+]C[C@H]1F ZINC000685946952 538888726 /nfs/dbraw/zinc/88/87/26/538888726.db2.gz XOGHUSFJGRWLKI-RKDXNWHRSA-N 1 0 217.288 0.642 10 0 BCAERO O=S(=O)(NC[C@]12CC[C@H]1CC[NH2+]2)C1CC1 ZINC000685947426 538889307 /nfs/dbraw/zinc/88/93/07/538889307.db2.gz VLKQAETVHUTIMB-WCBMZHEXSA-N 1 0 230.333 0.210 10 0 BCAERO CCCNC(=O)NC[C@]12CC[C@@H]1CC[NH2+]2 ZINC000685947777 538889594 /nfs/dbraw/zinc/88/95/94/538889594.db2.gz ZYAPAFWWAYQLGY-MWLCHTKSSA-N 1 0 211.309 0.838 10 0 BCAERO CCCS(=O)(=O)NC1CCC(C)([NH3+])CC1 ZINC000685947830 538889671 /nfs/dbraw/zinc/88/96/71/538889671.db2.gz QLHALIFPLZFXPS-UHFFFAOYSA-N 1 0 234.365 0.976 10 0 BCAERO COCCNC(=O)N1CCCC[C@H](C[NH3+])C1 ZINC000685947827 538889704 /nfs/dbraw/zinc/88/97/04/538889704.db2.gz RJRVGCNQWLMLGG-SNVBAGLBSA-N 1 0 229.324 0.403 10 0 BCAERO NC(=O)C[C@@H](C[NH3+])c1ccc2c(c1)CCO2 ZINC000685948308 538890244 /nfs/dbraw/zinc/89/02/44/538890244.db2.gz HAALBGLVXVFJHF-JTQLQIEISA-N 1 0 220.272 0.539 10 0 BCAERO CCS(=O)(=O)N[C@]12CC[NH2+][C@@H]1CCCC2 ZINC000685948807 538891556 /nfs/dbraw/zinc/89/15/56/538891556.db2.gz GCBHTMYZWGVKDY-NXEZZACHSA-N 1 0 232.349 0.600 10 0 BCAERO CCNC(=O)c1ccc2c(c1)C[C@@H]([NH3+])C2 ZINC000685948723 538892088 /nfs/dbraw/zinc/89/20/88/538892088.db2.gz DTGDNEHJWGDCCO-NSHDSACASA-N 1 0 204.273 0.862 10 0 BCAERO CC(C)S(=O)(=O)N[C@]12CC[NH2+][C@@H]1CCCC2 ZINC000685949209 538892423 /nfs/dbraw/zinc/89/24/23/538892423.db2.gz MDVZUUXGRYOFLO-GHMZBOCLSA-N 1 0 246.376 0.989 10 0 BCAERO O=S(=O)(N[C@]12CC[NH2+][C@@H]1CCCC2)C1CC1 ZINC000685949520 538892616 /nfs/dbraw/zinc/89/26/16/538892616.db2.gz STYRRBNDBSBJOT-GHMZBOCLSA-N 1 0 244.360 0.743 10 0 BCAERO COCCC(=O)N1CC[C@]2([NH3+])CCCC[C@@H]12 ZINC000685949397 538892634 /nfs/dbraw/zinc/89/26/34/538892634.db2.gz RDLWVFXMGMRQCW-ZYHUDNBSSA-N 1 0 226.320 0.895 10 0 BCAERO O=C(C1CC1)N1CC2(C[NH2+]C2)C(F)(F)C1 ZINC000685949584 538893154 /nfs/dbraw/zinc/89/31/54/538893154.db2.gz ULEYXPQXOOTHKM-UHFFFAOYSA-N 1 0 216.231 0.464 10 0 BCAERO Nc1ncccc1C[NH2+]C[C@@H]1CCC(=O)N1 ZINC000685950392 538893809 /nfs/dbraw/zinc/89/38/09/538893809.db2.gz OKLAGNWOYMZEJF-VIFPVBQESA-N 1 0 220.276 0.032 10 0 BCAERO CC1(CNC(=O)[C@H]2[NH2+]CCCC2(C)C)COC1 ZINC000232903884 357684618 /nfs/dbraw/zinc/68/46/18/357684618.db2.gz FBPOBKKNXYDDME-SNVBAGLBSA-N 1 0 240.347 0.917 10 0 BCAERO CCC(=O)CCN1CCO[C@@H](C[NH+](C)C)C1 ZINC000190222407 357695923 /nfs/dbraw/zinc/69/59/23/357695923.db2.gz HWCNRVBNBCODSO-LBPRGKRZSA-N 1 0 228.336 0.618 10 0 BCAERO CCOC(=O)COCC[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000233679405 357731977 /nfs/dbraw/zinc/73/19/77/357731977.db2.gz FJPMLAIAFMYTGX-WDEREUQCSA-N 1 0 245.319 0.723 10 0 BCAERO C[NH2+]C[C@H](C)C(=O)N1CCn2ccnc2C1 ZINC000086068935 357815949 /nfs/dbraw/zinc/81/59/49/357815949.db2.gz VUUXOZMPOLSKIL-VIFPVBQESA-N 1 0 222.292 0.081 10 0 BCAERO COC(=O)C(C)(C)NC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000085010851 134221004 /nfs/dbraw/zinc/22/10/04/134221004.db2.gz RQGORKUTCIBEPI-JGVFFNPUSA-N 1 0 228.292 0.182 10 0 BCAERO [NH3+][C@@H]1CC[C@@H](C(=O)NCC2CCOCC2)C1 ZINC000085013268 134221375 /nfs/dbraw/zinc/22/13/75/134221375.db2.gz KCGPUHZRWMVBNL-GHMZBOCLSA-N 1 0 226.320 0.657 10 0 BCAERO Cc1ncccc1C(=O)N1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000235370790 357868461 /nfs/dbraw/zinc/86/84/61/357868461.db2.gz OYVGWASGNSVPLU-KCJUWKMLSA-N 1 0 219.288 0.809 10 0 BCAERO CC[N@@H+]1CCC[C@@H]1CN(C)C[C@H](O)COC ZINC000086189598 357871916 /nfs/dbraw/zinc/87/19/16/357871916.db2.gz BSBIGSBKXXHUDQ-NEPJUHHUSA-N 1 0 230.352 0.410 10 0 BCAERO CC(C)CC(=O)N1CC[C@H]2OCC[NH2+][C@@H]2C1 ZINC000404079656 357880136 /nfs/dbraw/zinc/88/01/36/357880136.db2.gz RXTLBBPDUKHYEQ-GHMZBOCLSA-N 1 0 226.320 0.622 10 0 BCAERO CC[C@@H](O)CCCNC(=O)[C@@]1(C)CCC[NH2+]1 ZINC000398512865 357886703 /nfs/dbraw/zinc/88/67/03/357886703.db2.gz NMWWAFPGGOOALS-ZYHUDNBSSA-N 1 0 228.336 0.796 10 0 BCAERO C[NH2+][C@H](C)C(=O)NC[C@H](C)C[C@@H](C)O ZINC000398651048 357888566 /nfs/dbraw/zinc/88/85/66/357888566.db2.gz YLGGFOFYXIPQPR-IWSPIJDZSA-N 1 0 202.298 0.118 10 0 BCAERO C[C@H](O)C[C@H](C)CNC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000398637164 357889013 /nfs/dbraw/zinc/88/90/13/357889013.db2.gz RCQCZJCBUSEVCC-SRVKXCTJSA-N 1 0 242.363 0.899 10 0 BCAERO C[C@H]1CN(C(=O)c2cccc(=O)[nH]2)C[C@@H]1[NH+](C)C ZINC000235654434 357926196 /nfs/dbraw/zinc/92/61/96/357926196.db2.gz YSHSPZJNPSZSPX-ONGXEEELSA-N 1 0 249.314 0.397 10 0 BCAERO C[C@H]1CN(C(=O)c2ccc(F)cn2)C[C@H]1[NH3+] ZINC000235645681 357926278 /nfs/dbraw/zinc/92/62/78/357926278.db2.gz WDUZKRQFIHYYQH-IONNQARKSA-N 1 0 223.251 0.640 10 0 BCAERO Cc1cccnc1C(=O)N1C[C@H](C)[C@H]([NH3+])C1 ZINC000235686284 357928116 /nfs/dbraw/zinc/92/81/16/357928116.db2.gz CWDPHIXRSHZBEC-VHSXEESVSA-N 1 0 219.288 0.809 10 0 BCAERO C[C@]1(C(=O)Cc2ccoc2)COC[C@H]1[NH3+] ZINC000168947109 357999424 /nfs/dbraw/zinc/99/94/24/357999424.db2.gz XAJIPBCAKZFSIN-KOLCDFICSA-N 1 0 209.245 0.755 10 0 BCAERO CC[C@@H](O)CCNC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000218834520 357967785 /nfs/dbraw/zinc/96/77/85/357967785.db2.gz NTGFIPIVUPJGSH-WDEREUQCSA-N 1 0 228.336 0.653 10 0 BCAERO C[C@H](CO)NC(=O)C1([NH3+])CCCCC1 ZINC000035606057 358005157 /nfs/dbraw/zinc/00/51/57/358005157.db2.gz WQOVUYXUYQDAEJ-MRVPVSSYSA-N 1 0 200.282 0.145 10 0 BCAERO CC(C)NC(=O)CN(C)[C@H]1CCC[NH2+]CC1 ZINC000168808986 134247166 /nfs/dbraw/zinc/24/71/66/134247166.db2.gz RSPWMRLVUNSRJP-NSHDSACASA-N 1 0 227.352 0.585 10 0 BCAERO COC[C@@H](C)C[NH2+]C[C@H]1CN(C)CCO1 ZINC000086005428 358049989 /nfs/dbraw/zinc/04/99/89/358049989.db2.gz YFKGDTMUPUQNBD-QWRGUYRKSA-N 1 0 216.325 0.189 10 0 BCAERO CN(CC(=O)NC1CC1)[C@H]1CCC[NH2+]CC1 ZINC000168804105 134246886 /nfs/dbraw/zinc/24/68/86/134246886.db2.gz QQEFOWVVADTKJJ-NSHDSACASA-N 1 0 225.336 0.339 10 0 BCAERO CN(CC(=O)NC1CC1)[C@@H]1CCC[NH2+]CC1 ZINC000168804006 134246935 /nfs/dbraw/zinc/24/69/35/134246935.db2.gz QQEFOWVVADTKJJ-LLVKDONJSA-N 1 0 225.336 0.339 10 0 BCAERO C[NH2+]C[C@H]1CCCN1CCC(=O)OC ZINC000169281955 134250317 /nfs/dbraw/zinc/25/03/17/134250317.db2.gz VYWUSWLIXUAKJW-SECBINFHSA-N 1 0 200.282 0.233 10 0 BCAERO C[C@H](CO)[NH2+]C[C@@H](O)COCc1ccco1 ZINC000037888484 358096563 /nfs/dbraw/zinc/09/65/63/358096563.db2.gz WYTMVDUXAMORJC-NXEZZACHSA-N 1 0 229.276 0.128 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)N2CCC[C@@H](C[NH3+])C2)O1 ZINC000222247872 358158452 /nfs/dbraw/zinc/15/84/52/358158452.db2.gz FOWSWVFFEMVQKN-OUAUKWLOSA-N 1 0 226.320 0.751 10 0 BCAERO O=C1OCC[C@H]1N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171638427 134257515 /nfs/dbraw/zinc/25/75/15/134257515.db2.gz DPKGGSFETOWQPA-NXEZZACHSA-N 1 0 210.277 0.082 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)O1 ZINC000222408595 358174394 /nfs/dbraw/zinc/17/43/94/358174394.db2.gz TUUSUSXRVVTRFQ-LNFKQOIKSA-N 1 0 226.320 0.750 10 0 BCAERO O=C(NC1C[NH2+]C1)c1cc(F)ccc1F ZINC000085255701 134262149 /nfs/dbraw/zinc/26/21/49/134262149.db2.gz XYJZQPZVJJHXJU-UHFFFAOYSA-N 1 0 212.199 0.666 10 0 BCAERO C[NH2+][C@H]1CCC2(C[C@@H]1N1CCCC1)OCCO2 ZINC000039384619 358225850 /nfs/dbraw/zinc/22/58/50/358225850.db2.gz CERNGLBORHTCEL-RYUDHWBXSA-N 1 0 240.347 0.966 10 0 BCAERO CO[C@H](C)CNC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000223759156 358230261 /nfs/dbraw/zinc/23/02/61/358230261.db2.gz IFALNTDQTPJBSZ-ZJUUUORDSA-N 1 0 214.309 0.527 10 0 BCAERO COC[C@H]([NH3+])C(=O)NCC[C@@H]1CCCCO1 ZINC000224083843 358231196 /nfs/dbraw/zinc/23/11/96/358231196.db2.gz XUFKHUSVZYKVOD-UWVGGRQHSA-N 1 0 230.308 0.036 10 0 BCAERO CCCN(CC)C(=O)[C@H]1C[C@@H](OC)C[NH2+]1 ZINC000040631542 358244439 /nfs/dbraw/zinc/24/44/39/358244439.db2.gz SSMSGIVQUCSTBA-NXEZZACHSA-N 1 0 214.309 0.622 10 0 BCAERO CCOC(=O)[C@H](CNc1cc[nH+]cc1)C(C)=O ZINC000584603188 358261446 /nfs/dbraw/zinc/26/14/46/358261446.db2.gz ODHLWPPZHPNKDR-LLVKDONJSA-N 1 0 236.271 0.684 10 0 BCAERO [NH3+]CCCN(CCO)Cc1ccccn1 ZINC000584621874 358289226 /nfs/dbraw/zinc/28/92/26/358289226.db2.gz RJBJXUNBXBNDBV-UHFFFAOYSA-N 1 0 209.293 0.225 10 0 BCAERO [NH3+]C[C@@H]1CN(c2ncnc3ccccc32)CCO1 ZINC000041162037 358301433 /nfs/dbraw/zinc/30/14/33/358301433.db2.gz QMCPCRJVWKJARG-SNVBAGLBSA-N 1 0 244.298 0.794 10 0 BCAERO Nc1ccc(NCCCn2cnnn2)c(F)c1 ZINC000584651301 358306378 /nfs/dbraw/zinc/30/63/78/358306378.db2.gz QWARNVCXSQJAJN-UHFFFAOYSA-N 1 0 236.254 0.897 10 0 BCAERO C[C@@H]([NH2+]Cc1cn(CC(N)=O)nn1)C1CCC1 ZINC000584617050 358282095 /nfs/dbraw/zinc/28/20/95/358282095.db2.gz CGLRQKSZMKWMTH-MRVPVSSYSA-N 1 0 237.307 0.042 10 0 BCAERO CNS(=O)(=O)c1ccc(C[NH3+])c(F)c1 ZINC000584644022 358329142 /nfs/dbraw/zinc/32/91/42/358329142.db2.gz LOAIRGOFLBODNE-UHFFFAOYSA-N 1 0 218.253 0.193 10 0 BCAERO CN1CCC[C@H]1C[NH2+][C@@H]1CCCC[C@H]1O ZINC000226057811 358333113 /nfs/dbraw/zinc/33/31/13/358333113.db2.gz YXIVDUGQFGJFQH-QJPTWQEYSA-N 1 0 212.337 0.974 10 0 BCAERO CC(C)[C@@H](O)C[NH2+][C@@H]1CCCC[C@H]1O ZINC000226237958 358336197 /nfs/dbraw/zinc/33/61/97/358336197.db2.gz QRMZXTGJQAPREJ-MXWKQRLJSA-N 1 0 201.310 0.896 10 0 BCAERO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1O)[C@H](C)CO ZINC000226237496 358336727 /nfs/dbraw/zinc/33/67/27/358336727.db2.gz NODCZEGACAXGER-GWOFURMSSA-N 1 0 201.310 0.896 10 0 BCAERO CN([C@H]1CCC[NH2+]CC1)S(=O)(=O)CC1CC1 ZINC000226463460 358339868 /nfs/dbraw/zinc/33/98/68/358339868.db2.gz ZQMGVXPODBKYJY-NSHDSACASA-N 1 0 246.376 0.800 10 0 BCAERO Cc1cnn(CCNC(=O)[C@@]2(C)CCC[NH2+]2)c1 ZINC000226675752 358342557 /nfs/dbraw/zinc/34/25/57/358342557.db2.gz FNDDJTCJNCOVNL-GFCCVEGCSA-N 1 0 236.319 0.450 10 0 BCAERO CNC(=O)C(C)(C)CNC(=O)[C@@]1(C)CCC[NH2+]1 ZINC000226692238 358342861 /nfs/dbraw/zinc/34/28/61/358342861.db2.gz GCUNUPMWCPCUQC-GFCCVEGCSA-N 1 0 241.335 0.017 10 0 BCAERO C[C@H](O)C1CCN(C(=O)C[NH2+]C2CC2)CC1 ZINC000229086257 358344885 /nfs/dbraw/zinc/34/48/85/358344885.db2.gz FBJWYPJAQGFBCQ-VIFPVBQESA-N 1 0 226.320 0.358 10 0 BCAERO CC(C)(CC(N)=O)NC(=O)C[C@H]1CCC[NH2+]C1 ZINC000227062984 358348059 /nfs/dbraw/zinc/34/80/59/358348059.db2.gz DODHTJZXIRANTD-SECBINFHSA-N 1 0 241.335 0.146 10 0 BCAERO CCOCCN1CCO[C@@H](c2nnc(C)[nH]2)C1 ZINC000173681481 134275933 /nfs/dbraw/zinc/27/59/33/134275933.db2.gz MRUMGNFWJFISSF-SNVBAGLBSA-N 1 0 240.307 0.523 10 0 BCAERO CS[C@@H](CO)[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1O ZINC000228380881 358374687 /nfs/dbraw/zinc/37/46/87/358374687.db2.gz QFCLOQQYLGCCKH-DBIOUOCHSA-N 1 0 233.377 0.992 10 0 BCAERO Cc1nc(CNC(=O)[C@@]2(C)CCC[NH2+]2)no1 ZINC000227428738 358356885 /nfs/dbraw/zinc/35/68/85/358356885.db2.gz RBZZZDKPXPIWLB-SNVBAGLBSA-N 1 0 224.264 0.136 10 0 BCAERO CC(C)[C@@H]([NH3+])CCN(C)C(=O)c1nc[nH]n1 ZINC000227733140 358363047 /nfs/dbraw/zinc/36/30/47/358363047.db2.gz GITZLJMYBPHBBC-QMMMGPOBSA-N 1 0 225.296 0.250 10 0 BCAERO CC(C)(O)C[NH2+]C[C@@H]1CCC[C@H](O)C1 ZINC000227738297 358363180 /nfs/dbraw/zinc/36/31/80/358363180.db2.gz YSOLHOXGAPXHPV-ZJUUUORDSA-N 1 0 201.310 0.898 10 0 BCAERO CCCCOC[C@H](O)C[NH2+]C[C@H](C)O ZINC000227888845 358365102 /nfs/dbraw/zinc/36/51/02/358365102.db2.gz LKMGIOXJHJXIEV-VHSXEESVSA-N 1 0 205.298 0.134 10 0 BCAERO CCCCOC[C@@H](O)C[NH2+]C[C@@H](C)O ZINC000227888832 358365290 /nfs/dbraw/zinc/36/52/90/358365290.db2.gz LKMGIOXJHJXIEV-ZJUUUORDSA-N 1 0 205.298 0.134 10 0 BCAERO CCCCOC[C@@H](O)C[NH2+][C@H](C)C(=O)N(C)C ZINC000227890222 358365330 /nfs/dbraw/zinc/36/53/30/358365330.db2.gz VTICUNGFQOPGLC-MNOVXSKESA-N 1 0 246.351 0.230 10 0 BCAERO CCCCOC[C@H](O)C[NH2+][C@@H](C)C(=O)N(C)C ZINC000227890215 358365377 /nfs/dbraw/zinc/36/53/77/358365377.db2.gz VTICUNGFQOPGLC-WDEREUQCSA-N 1 0 246.351 0.230 10 0 BCAERO CCCCOC[C@@H](O)C[NH2+]C[C@@H](O)C1CC1 ZINC000227892560 358365481 /nfs/dbraw/zinc/36/54/81/358365481.db2.gz XJFWUGGWRSQVMU-NWDGAFQWSA-N 1 0 231.336 0.525 10 0 BCAERO CC(C)(C)OC[C@H](O)C[NH2+][C@H]1C[C@@H](O)C1(C)C ZINC000228858670 358386287 /nfs/dbraw/zinc/38/62/87/358386287.db2.gz MTNADPIDUOOWIF-OUAUKWLOSA-N 1 0 245.363 0.911 10 0 BCAERO COC(=O)C[C@](C)([NH3+])c1cncc(F)c1 ZINC000229324861 358402248 /nfs/dbraw/zinc/40/22/48/358402248.db2.gz IWVCYDJZEKWZLU-JTQLQIEISA-N 1 0 212.224 0.958 10 0 BCAERO CC[C@@H]([NH3+])C(=O)N(C)C[C@H]1CCC[N@@H+]1CC ZINC000086188857 358442684 /nfs/dbraw/zinc/44/26/84/358442684.db2.gz NULDYXIVCWEVIW-GHMZBOCLSA-N 1 0 227.352 0.666 10 0 BCAERO CC[C@@H]([NH3+])C(=O)N(C)C[C@@H]1CCC[N@@H+]1CC ZINC000086188856 358442945 /nfs/dbraw/zinc/44/29/45/358442945.db2.gz NULDYXIVCWEVIW-WDEREUQCSA-N 1 0 227.352 0.666 10 0 BCAERO O=C(C[C@@H]1CCC[NH2+]C1)N[C@H]1CCSC1 ZINC000231352396 358416956 /nfs/dbraw/zinc/41/69/56/358416956.db2.gz SMEZFORWSHYUSZ-UWVGGRQHSA-N 1 0 228.361 0.998 10 0 BCAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC ZINC000174610811 134282915 /nfs/dbraw/zinc/28/29/15/134282915.db2.gz XBHALYOBCWVPGX-VHSXEESVSA-N 1 0 211.309 0.884 10 0 BCAERO O=C(c1cnsn1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000049516047 358693257 /nfs/dbraw/zinc/69/32/57/358693257.db2.gz YUAHCVJGEHLNNZ-QMMMGPOBSA-N 1 0 238.316 0.458 10 0 BCAERO C[C@@H]1[NH2+]CC[C@@H]1C(=O)N=S(C)(C)=O ZINC000306149297 358759886 /nfs/dbraw/zinc/75/98/86/358759886.db2.gz DRYCCMRRTLNWMR-BQBZGAKWSA-N 1 0 204.295 0.239 10 0 BCAERO CNC(=O)[C@H](C[NH3+])Cc1ccccc1F ZINC000050303862 358724981 /nfs/dbraw/zinc/72/49/81/358724981.db2.gz QFLXAGJLKGUFQL-VIFPVBQESA-N 1 0 210.252 0.689 10 0 BCAERO CNC(=O)[C@@H](C[NH3+])Cc1ccc(F)cc1 ZINC000050303783 358724986 /nfs/dbraw/zinc/72/49/86/358724986.db2.gz CUZPVSNVCUBMEB-SECBINFHSA-N 1 0 210.252 0.689 10 0 BCAERO C[C@@H]1OCC[C@@H]1NC(=O)c1ccc(C[NH3+])o1 ZINC000134256507 358784610 /nfs/dbraw/zinc/78/46/10/358784610.db2.gz MIACUNAQZPMWJR-CBAPKCEASA-N 1 0 224.260 0.646 10 0 BCAERO OCCC[C@@H]1CCC[N@@H+]1CCN1CCOCC1 ZINC000052762758 358793155 /nfs/dbraw/zinc/79/31/55/358793155.db2.gz XKWKGRYBBXADKS-ZDUSSCGKSA-N 1 0 242.363 0.556 10 0 BCAERO CN(C(=O)C[N@@H+]1CCC[C@H]1CCCO)C1CC1 ZINC000052762546 358793291 /nfs/dbraw/zinc/79/32/91/358793291.db2.gz AXSGYDKTGNYFAI-LBPRGKRZSA-N 1 0 240.347 0.844 10 0 BCAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)N(C)C ZINC000136074396 358862010 /nfs/dbraw/zinc/86/20/10/358862010.db2.gz UVJJIXMEHSHJJN-VXGBXAGGSA-N 1 0 239.363 0.633 10 0 BCAERO C[C@H](CC(N)=O)[NH2+][C@@H]1CCC[C@H](O)C1 ZINC000308636477 491137472 /nfs/dbraw/zinc/13/74/72/491137472.db2.gz CLSMKNOFENMGNK-HLTSFMKQSA-N 1 0 200.282 0.143 10 0 BCAERO CNC(=S)N[C@H]1CCC[N@H+](C)[C@H]1C ZINC000306161975 358965257 /nfs/dbraw/zinc/96/52/57/358965257.db2.gz QIFZFJGJPGQDPD-YUMQZZPRSA-N 1 0 201.339 0.563 10 0 BCAERO C[C@H](CC(N)=S)[N@@H+]1CCN(C)C[C@H]1C ZINC000300357480 358970689 /nfs/dbraw/zinc/97/06/89/358970689.db2.gz ZSPZBQVUZTVDJK-RKDXNWHRSA-N 1 0 215.366 0.687 10 0 BCAERO c1nnc(N2CC[C@H]3CC[C@@H](C2)[NH2+]3)s1 ZINC000169111869 358939283 /nfs/dbraw/zinc/93/92/83/358939283.db2.gz HXGIXADQUKBPJN-SFYZADRCSA-N 1 0 210.306 0.869 10 0 BCAERO C[C@@H]1OCC[C@@H]1[S@](=O)[C@H]1CC[NH2+]C1 ZINC000306154279 358940214 /nfs/dbraw/zinc/94/02/14/358940214.db2.gz KFQLFNPUXMETSO-DWURIKNASA-N 1 0 203.307 0.274 10 0 BCAERO CS(C)(=O)=NC(=O)C1=CC[C@H]([NH3+])C1 ZINC000306193266 359020611 /nfs/dbraw/zinc/02/06/11/359020611.db2.gz UJOBRRPKYLKSTI-BQBZGAKWSA-N 1 0 202.279 0.144 10 0 BCAERO CCn1ccnc(NC[C@H]([NH3+])C(C)C)c1=O ZINC000070010921 359037637 /nfs/dbraw/zinc/03/76/37/359037637.db2.gz BYAIBWXMNQDBIE-VIFPVBQESA-N 1 0 224.308 0.658 10 0 BCAERO CCC(=[NH2+])N[C@H]1CCS(=O)(=O)[C@@H]1C ZINC000306175955 358983656 /nfs/dbraw/zinc/98/36/56/358983656.db2.gz VRAIOCKINBJDHU-RQJHMYQMSA-N 1 0 204.295 0.539 10 0 BCAERO O[C@@H]1CCC2(C[C@@H]1[C@@H]1CCC[NH2+]1)OCCO2 ZINC000224262587 358984366 /nfs/dbraw/zinc/98/43/66/358984366.db2.gz KNZCSKGZOPLKRO-OUAUKWLOSA-N 1 0 227.304 0.643 10 0 BCAERO COc1ncc([C@H]2OCC[C@H]2[NH3+])s1 ZINC000306177918 358988384 /nfs/dbraw/zinc/98/83/84/358988384.db2.gz XYQSHZKTFMCLNR-VDTYLAMSSA-N 1 0 200.263 0.940 10 0 BCAERO [NH3+]C[C@@H]1CN(c2nccs2)CCCO1 ZINC000306183015 358999965 /nfs/dbraw/zinc/99/99/65/358999965.db2.gz YKXFRVAPKGJIOM-MRVPVSSYSA-N 1 0 213.306 0.697 10 0 BCAERO CCOC(=O)CN1CC[N@H+](CCOC)[C@@H](C)C1 ZINC000247140430 359195936 /nfs/dbraw/zinc/19/59/36/359195936.db2.gz KXZQJVRAOXPJKD-NSHDSACASA-N 1 0 244.335 0.202 10 0 BCAERO CC(C)CNC(=O)CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000247009809 359183131 /nfs/dbraw/zinc/18/31/31/359183131.db2.gz CAGCTCHUPQRSFA-LBPRGKRZSA-N 1 0 239.363 0.539 10 0 BCAERO CC(C)NC(=O)CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000247011206 359184109 /nfs/dbraw/zinc/18/41/09/359184109.db2.gz CEVQQVPSPZDUAJ-NSHDSACASA-N 1 0 225.336 0.291 10 0 BCAERO COCCN1CC[N@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000247077147 359192185 /nfs/dbraw/zinc/19/21/85/359192185.db2.gz GVCBJWJRYWSJTG-QWHCGFSZSA-N 1 0 242.363 0.818 10 0 BCAERO C[C@H]1C[N@H+](CCCO)C[C@H]1N1CCOCC1 ZINC000246616303 359152572 /nfs/dbraw/zinc/15/25/72/359152572.db2.gz YLCRBDKYYLKNMP-NWDGAFQWSA-N 1 0 228.336 0.021 10 0 BCAERO CCCNC(=O)CN1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000246806296 359166255 /nfs/dbraw/zinc/16/62/55/359166255.db2.gz BZNRYMFUCDEEGH-VXGBXAGGSA-N 1 0 239.363 0.681 10 0 BCAERO CCOCC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000246843579 359168526 /nfs/dbraw/zinc/16/85/26/359168526.db2.gz FCQXPFJBSTZJPI-MNOVXSKESA-N 1 0 228.336 0.868 10 0 BCAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CN(C)C ZINC000246836797 359169307 /nfs/dbraw/zinc/16/93/07/359169307.db2.gz BKQVJSOLMVUUIQ-RYUDHWBXSA-N 1 0 239.363 0.633 10 0 BCAERO c1cc(CN2CC[C@@H]3OCC[NH2+][C@@H]3C2)ccn1 ZINC000404193169 359170146 /nfs/dbraw/zinc/17/01/46/359170146.db2.gz LYPAXOUGSCJIOV-OLZOCXBDSA-N 1 0 233.315 0.644 10 0 BCAERO CCOCCN1CC[N@H+](C[C@H](O)CC)C[C@@H]1C ZINC000247708939 359242481 /nfs/dbraw/zinc/24/24/81/359242481.db2.gz ZRXUNUJPMOOXFL-QWHCGFSZSA-N 1 0 244.379 0.800 10 0 BCAERO CC[C@H](O)C[N@@H+]1CCN(C[C@@H](C)O)[C@@H](CC)C1 ZINC000247869138 359246750 /nfs/dbraw/zinc/24/67/50/359246750.db2.gz XGMPKOFYPOGKNV-AGIUHOORSA-N 1 0 244.379 0.534 10 0 BCAERO CC(C)[N@@H+]1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000247200067 359200174 /nfs/dbraw/zinc/20/01/74/359200174.db2.gz OWJSEFXGWDKOJW-MNOVXSKESA-N 1 0 200.326 0.782 10 0 BCAERO C[C@@H](C(=O)N(C)C)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000247248475 359205488 /nfs/dbraw/zinc/20/54/88/359205488.db2.gz SYQFRBMFWZVOKE-QWRGUYRKSA-N 1 0 225.336 0.243 10 0 BCAERO CC(C)(C)OC[C@H](O)C[N@@H+]1CC[C@](C)(O)C1 ZINC000247348739 359211299 /nfs/dbraw/zinc/21/12/99/359211299.db2.gz OSJLGOXTPPKDIA-PWSUYJOCSA-N 1 0 231.336 0.619 10 0 BCAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CN(C)C ZINC000247111971 359214583 /nfs/dbraw/zinc/21/45/83/359214583.db2.gz ISUMYGRNWRFHAU-QWRGUYRKSA-N 1 0 225.336 0.243 10 0 BCAERO CCOCC[N@@H+]1CCN(CC(=O)OC)C[C@H]1C ZINC000247370703 359217090 /nfs/dbraw/zinc/21/70/90/359217090.db2.gz UQGJKDQCZKLBOQ-LLVKDONJSA-N 1 0 244.335 0.202 10 0 BCAERO CC(C)OCCN1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000247390872 359217846 /nfs/dbraw/zinc/21/78/46/359217846.db2.gz XCMKHYHOPYUBBE-STQMWFEESA-N 1 0 244.379 0.798 10 0 BCAERO CCNC(=O)CN1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000247470003 359222983 /nfs/dbraw/zinc/22/29/83/359222983.db2.gz RPEXWWUGNTZYOT-MNOVXSKESA-N 1 0 225.336 0.291 10 0 BCAERO CNC(=O)C(C)(C)[NH2+][C@@H]1CCC[C@H]1O ZINC000306203404 359293108 /nfs/dbraw/zinc/29/31/08/359293108.db2.gz ZUQWLVIHYFRDNH-HTQZYQBOSA-N 1 0 200.282 0.014 10 0 BCAERO CC(C)COCCN1CC[C@H]2OCC[NH2+][C@@H]2C1 ZINC000404225186 359309239 /nfs/dbraw/zinc/30/92/39/359309239.db2.gz NEHKTQVFCHSXLK-CHWSQXEVSA-N 1 0 242.363 0.722 10 0 BCAERO CCN1CCC[N@@H+]([C@H](C)[C@H](C)O)CC1 ZINC000306224944 359354485 /nfs/dbraw/zinc/35/44/85/359354485.db2.gz BKXOBKMMPASNEM-MNOVXSKESA-N 1 0 200.326 0.783 10 0 BCAERO C[C@H]([NH3+])C(=O)NC[C@@]1(O)CCC[C@H]1C ZINC000306227743 359363530 /nfs/dbraw/zinc/36/35/30/359363530.db2.gz DQMQYGUFIUHRIL-WEDXCCLWSA-N 1 0 200.282 0.001 10 0 BCAERO C[C@H]([NH3+])C(=O)NC[C@@]1(O)CCC[C@@H]1C ZINC000306227730 359364150 /nfs/dbraw/zinc/36/41/50/359364150.db2.gz DQMQYGUFIUHRIL-NRPADANISA-N 1 0 200.282 0.001 10 0 BCAERO [NH3+]C[C@H]1CN([C@@H]2CCSC2)CCO1 ZINC000228173611 359323459 /nfs/dbraw/zinc/32/34/59/359323459.db2.gz NLSAGQUQOXIPOZ-BDAKNGLRSA-N 1 0 202.323 0.151 10 0 BCAERO CN(C(=O)[C@@H]1CC1(Cl)Cl)C1C[NH2+]C1 ZINC000306215527 359323704 /nfs/dbraw/zinc/32/37/04/359323704.db2.gz IEIWGHQRBOVDHM-LURJTMIESA-N 1 0 223.103 0.610 10 0 BCAERO C[C@H]([NH3+])CN1CC(F)(F)C(F)(F)C1 ZINC000306217957 359329592 /nfs/dbraw/zinc/32/95/92/359329592.db2.gz DWBRCESFBHBXIL-YFKPBYRVSA-N 1 0 200.179 0.920 10 0 BCAERO C[C@H]1SCCN(C(=O)[C@@H]2CC[NH2+]C2)[C@@H]1C ZINC000158359223 359335407 /nfs/dbraw/zinc/33/54/07/359335407.db2.gz CRIUFEIQKIUIED-OPRDCNLKSA-N 1 0 228.361 0.948 10 0 BCAERO COCCC[N@@H+]1CC[C@H]2OCCN[C@H]2C1 ZINC000404235336 359349256 /nfs/dbraw/zinc/34/92/56/359349256.db2.gz TUZDXJKGYJSCKS-WDEREUQCSA-N 1 0 214.309 0.086 10 0 BCAERO COC(C)(C)CN(C)C(=O)C1([NH3+])CCOCC1 ZINC000404237337 359350457 /nfs/dbraw/zinc/35/04/57/359350457.db2.gz MKWIZNCTHYCXJB-UHFFFAOYSA-N 1 0 244.335 0.378 10 0 BCAERO CCNC(=S)N[C@@H]1C[N@H+](C)C[C@H]1C ZINC000306247747 359434048 /nfs/dbraw/zinc/43/40/48/359434048.db2.gz WHNRJBHVFUVBST-HTQZYQBOSA-N 1 0 201.339 0.421 10 0 BCAERO C[NH2+][C@@H](C)C(=O)N[C@@H]1COCC1(C)C ZINC000306239026 359397226 /nfs/dbraw/zinc/39/72/26/359397226.db2.gz PWNYRPWARDGBRG-JGVFFNPUSA-N 1 0 200.282 0.136 10 0 BCAERO CC(C)[NH2+][C@]1(C(N)=O)CSC[C@H]1C ZINC000306259476 359472910 /nfs/dbraw/zinc/47/29/10/359472910.db2.gz TUYSNBYSSOPWRR-VXNVDRBHSA-N 1 0 202.323 0.591 10 0 BCAERO CS(=O)(=O)[C@H]1CC[N@@H+](C2CCC2)C1 ZINC000306259460 359473089 /nfs/dbraw/zinc/47/30/89/359473089.db2.gz TUFKMHPJRGTZSI-VIFPVBQESA-N 1 0 203.307 0.658 10 0 BCAERO Cn1ncc(C[NH3+])c1I ZINC000306284007 359516969 /nfs/dbraw/zinc/51/69/69/359516969.db2.gz IQESNIPTOQWECN-UHFFFAOYSA-N 1 0 237.044 0.483 10 0 BCAERO CC[C@@H]1CN(C(=O)[C@H]2CC[NH2+]C2)CCS1 ZINC000158370268 359541652 /nfs/dbraw/zinc/54/16/52/359541652.db2.gz AFPUWSMIDFLGKK-VHSXEESVSA-N 1 0 228.361 0.950 10 0 BCAERO c1nsc(N2CCC[C@@H]3C[NH2+]C[C@H]32)n1 ZINC000299999564 359592953 /nfs/dbraw/zinc/59/29/53/359592953.db2.gz WTPIJFLTHLBYIQ-HTQZYQBOSA-N 1 0 210.306 0.726 10 0 BCAERO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)[C@@H]1CCCO1 ZINC000086888996 359583864 /nfs/dbraw/zinc/58/38/64/359583864.db2.gz YIBSHWHRYSJJAS-GUBZILKMSA-N 1 0 212.293 0.280 10 0 BCAERO [NH3+][C@H]1COC[C@@H]1NC(=O)NCc1ccccc1 ZINC000306308112 359589097 /nfs/dbraw/zinc/58/90/97/359589097.db2.gz RPTIKECKWYKQNK-QWRGUYRKSA-N 1 0 235.287 0.212 10 0 BCAERO [NH3+][C@@H]1CCN(Cc2ccccc2)C[C@@H]1O ZINC000026897265 359591677 /nfs/dbraw/zinc/59/16/77/359591677.db2.gz FSWGELBQIPNBFM-NEPJUHHUSA-N 1 0 206.289 0.581 10 0 BCAERO Cc1ccc(C[NH2+][C@H]2CCOC[C@H]2O)o1 ZINC000623764970 359634707 /nfs/dbraw/zinc/63/47/07/359634707.db2.gz MBQFWTNLKGIEOF-WDEREUQCSA-N 1 0 211.261 0.827 10 0 BCAERO C[C@H]1CC[NH2+][C@@H]1C(=O)N=S(C)(C)=O ZINC000306349009 359669824 /nfs/dbraw/zinc/66/98/24/359669824.db2.gz KCWIYPBZCDNBEF-BQBZGAKWSA-N 1 0 204.295 0.239 10 0 BCAERO C[C@H]([NH3+])C(=O)NC1CCC(CO)CC1 ZINC000306358174 359684171 /nfs/dbraw/zinc/68/41/71/359684171.db2.gz XWBONXHEZIMFFW-UEJVZZJDSA-N 1 0 200.282 0.001 10 0 BCAERO C[C@@H]1CSC[C@@H]1[NH2+][C@H]1COC[C@@H]1O ZINC000306380789 359731386 /nfs/dbraw/zinc/73/13/86/359731386.db2.gz OMZHLZFNXDKVSG-XGEHTFHBSA-N 1 0 203.307 0.087 10 0 BCAERO C[C@@H]1CSC[C@@H]1[NH2+][C@H]1COC[C@H]1O ZINC000306380788 359731599 /nfs/dbraw/zinc/73/15/99/359731599.db2.gz OMZHLZFNXDKVSG-RYPBNFRJSA-N 1 0 203.307 0.087 10 0 BCAERO CNC(=S)N1C[C@H]([NH+](C)C)[C@@H](C)C1 ZINC000130398710 359746824 /nfs/dbraw/zinc/74/68/24/359746824.db2.gz GYEMUEUOSYCXOU-YUMQZZPRSA-N 1 0 201.339 0.373 10 0 BCAERO [NH3+][C@@H]1C[C@@H]1NC(=O)c1scnc1Cl ZINC000306407081 359795459 /nfs/dbraw/zinc/79/54/59/359795459.db2.gz XHJBGFJQXFHOCP-DMTCNVIQSA-N 1 0 217.681 0.626 10 0 BCAERO O=[S@]([C@H]1CC[NH2+]C1)C1CCOCC1 ZINC000306413270 359823368 /nfs/dbraw/zinc/82/33/68/359823368.db2.gz SGEGFEHYLWFSLC-ZANVPECISA-N 1 0 203.307 0.276 10 0 BCAERO COC[C@H](C)[NH2+][C@@H](C)C(=O)N(C)C(C)C ZINC000309095214 491144775 /nfs/dbraw/zinc/14/47/75/491144775.db2.gz DRFKKJDTQXFNMH-UWVGGRQHSA-N 1 0 216.325 0.866 10 0 BCAERO CC1(C[NH2+][C@H]2CCCN(CCO)C2)CC1 ZINC000309147060 491145593 /nfs/dbraw/zinc/14/55/93/491145593.db2.gz VLVCVIUYMAMNPN-NSHDSACASA-N 1 0 212.337 0.833 10 0 BCAERO C[C@@H]1CN(S(C)(=O)=O)CC[C@H]1[NH2+]CCF ZINC000309160232 491145691 /nfs/dbraw/zinc/14/56/91/491145691.db2.gz YQWDGLHMRHVUAX-RKDXNWHRSA-N 1 0 238.328 0.216 10 0 BCAERO Cc1nn(C)cc1[C@H](C)[NH2+][C@H]1CCCNC1=O ZINC000087409679 359912353 /nfs/dbraw/zinc/91/23/53/359912353.db2.gz REFIVNMDTRUCFK-KWQFWETISA-N 1 0 236.319 0.658 10 0 BCAERO O=C(NC[C@H]1CCCS1)[C@H]1CC[NH2+]C1 ZINC000087668339 359923088 /nfs/dbraw/zinc/92/30/88/359923088.db2.gz IJLHHXDUSNCODR-DTWKUNHWSA-N 1 0 214.334 0.608 10 0 BCAERO C1COC2(CC[C@@H]([NH2+][C@H]3CCOC3)C2)O1 ZINC000306442907 360014926 /nfs/dbraw/zinc/01/49/26/360014926.db2.gz ZDQBVMOXSYUHHA-ZJUUUORDSA-N 1 0 213.277 0.661 10 0 BCAERO O=C(NCC[NH+]1CCC1)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000612842063 360105568 /nfs/dbraw/zinc/10/55/68/360105568.db2.gz GNDUZBIEUBQHSK-JGPRNRPPSA-N 1 0 208.305 0.854 10 0 BCAERO C[C@@]1(C[NH2+][C@H]2CCNC2=O)CCCS1 ZINC000306465645 360078690 /nfs/dbraw/zinc/07/86/90/360078690.db2.gz JZWPUZTYMFMURJ-WPRPVWTQSA-N 1 0 214.334 0.750 10 0 BCAERO CC[C@H](C[NH3+])N1CCC[S@@](=O)CC1 ZINC000306481407 360142677 /nfs/dbraw/zinc/14/26/77/360142677.db2.gz KEFCLNAMXORJDF-NOZJJQNGSA-N 1 0 204.339 0.178 10 0 BCAERO CC[C@@H](C[NH3+])N1CCC[S@@](=O)CC1 ZINC000306481411 360142708 /nfs/dbraw/zinc/14/27/08/360142708.db2.gz KEFCLNAMXORJDF-TVQRCGJNSA-N 1 0 204.339 0.178 10 0 BCAERO C[C@@H]1C[NH2+]C[C@@H](C)N1Cc1cnns1 ZINC000306478116 360125246 /nfs/dbraw/zinc/12/52/46/360125246.db2.gz ZGKHHADXAPPBRC-HTQZYQBOSA-N 1 0 212.322 0.720 10 0 BCAERO C[C@@H]1C[C@@H]([NH3+])CN(Cc2cnns2)C1 ZINC000306478664 360126779 /nfs/dbraw/zinc/12/67/79/360126779.db2.gz ZMNQAODPICUGQF-HTQZYQBOSA-N 1 0 212.322 0.707 10 0 BCAERO C[C@H]([NH2+]C1CS(=O)(=O)C1)C(C)(C)C ZINC000306483320 360152343 /nfs/dbraw/zinc/15/23/43/360152343.db2.gz FERALTVUBCVTCL-ZETCQYMHSA-N 1 0 205.323 0.808 10 0 BCAERO Cn1nncc1C[N@@H+]1CCC[C@@H]1CCCO ZINC000092784697 360195888 /nfs/dbraw/zinc/19/58/88/360195888.db2.gz CGEZXERLUGYVSG-SNVBAGLBSA-N 1 0 224.308 0.552 10 0 BCAERO CC(C)(C[NH3+])N1CCC[S@@](=O)CC1 ZINC000306490391 360200899 /nfs/dbraw/zinc/20/08/99/360200899.db2.gz VAYIVELMTCRQMB-CYBMUJFWSA-N 1 0 204.339 0.178 10 0 BCAERO C[C@H]([NH3+])CN1CC[S@](=O)[C@@H](C)[C@H]1C ZINC000306488576 360187876 /nfs/dbraw/zinc/18/78/76/360187876.db2.gz KUMAVEWRBVPXSF-ZZIUEJKTSA-N 1 0 204.339 0.175 10 0 BCAERO CN(C)[C@@H](C[NH3+])c1c(Br)nnn1C ZINC000306490957 360206687 /nfs/dbraw/zinc/20/66/87/360206687.db2.gz ZURCHJQSLCRCCI-YFKPBYRVSA-N 1 0 248.128 0.139 10 0 BCAERO CC(C)[C@@H]([NH3+])CN1CCC[S@](=O)CC1 ZINC000306493719 360216191 /nfs/dbraw/zinc/21/61/91/360216191.db2.gz ZMAIORMFAIFVKQ-HZMBPMFUSA-N 1 0 218.366 0.424 10 0 BCAERO OC[C@@H]1C[C@H]1[NH2+]C1CCC2(CC1)OCCO2 ZINC000306493888 360217158 /nfs/dbraw/zinc/21/71/58/360217158.db2.gz SRZISJBGNRZNRU-GXSJLCMTSA-N 1 0 227.304 0.643 10 0 BCAERO [NH3+][C@H]1COC[C@@H]1Nc1ncncc1Cl ZINC000306498217 360236017 /nfs/dbraw/zinc/23/60/17/360236017.db2.gz DPRAHPHSYBJHRU-BQBZGAKWSA-N 1 0 214.656 0.268 10 0 BCAERO NC(=O)c1ccc(NC[C@H]2CCC[NH2+]C2)nc1 ZINC000044503134 181300173 /nfs/dbraw/zinc/30/01/73/181300173.db2.gz CDCNDCYYMKUUSP-VIFPVBQESA-N 1 0 234.303 0.592 10 0 BCAERO NC(=O)c1ccc(NCC[C@@H]2CCC[NH2+]C2)nn1 ZINC000095013170 181300258 /nfs/dbraw/zinc/30/02/58/181300258.db2.gz JXPSGTBGOXACQP-VIFPVBQESA-N 1 0 249.318 0.377 10 0 BCAERO CCc1nnc(NC(=O)[C@@H]2CC[NH2+]2)s1 ZINC000306518762 360345960 /nfs/dbraw/zinc/34/59/60/360345960.db2.gz HIKAAPXCJRMRRM-YFKPBYRVSA-N 1 0 212.278 0.401 10 0 BCAERO Cc1cc(N[C@@H](C)CCC[NH3+])n2ncnc2n1 ZINC000094948126 360328377 /nfs/dbraw/zinc/32/83/77/360328377.db2.gz SBSKDCNFXAISSV-QMMMGPOBSA-N 1 0 234.307 0.972 10 0 BCAERO CC1(C)C[N@H+](CCON)[C@@H]2COC[C@@H]21 ZINC000306523122 360360833 /nfs/dbraw/zinc/36/08/33/360360833.db2.gz RQTWHZGDSCZUCN-DTWKUNHWSA-N 1 0 200.282 0.234 10 0 BCAERO O=C([C@@H]1CC[NH2+]1)N1CCCSCC1 ZINC000306524579 360369938 /nfs/dbraw/zinc/36/99/38/360369938.db2.gz YWTBOZYSDIUWPO-QMMMGPOBSA-N 1 0 200.307 0.314 10 0 BCAERO CN(C(=O)[C@@H]1CC[NH2+]C1)c1nccs1 ZINC000306536079 360400363 /nfs/dbraw/zinc/40/03/63/360400363.db2.gz KHIJCMOXBUIIEJ-SSDOTTSWSA-N 1 0 211.290 0.715 10 0 BCAERO [NH3+][C@H]1CCN([C@H]2CCC(F)(F)C2)C1=O ZINC000306561130 360438010 /nfs/dbraw/zinc/43/80/10/360438010.db2.gz MYQGRWIBHVJUTR-BQBZGAKWSA-N 1 0 204.220 0.734 10 0 BCAERO C[C@@H]([NH3+])c1csc(-c2cnnn2C)n1 ZINC000306568083 360446468 /nfs/dbraw/zinc/44/64/68/360446468.db2.gz UEKGETOVEWBKLS-RXMQYKEDSA-N 1 0 209.278 0.958 10 0 BCAERO C[NH+](C)C1CN(c2nsnc2Cl)C1 ZINC000306567582 360447205 /nfs/dbraw/zinc/44/72/05/360447205.db2.gz SPLKIXIHPZPBSA-UHFFFAOYSA-N 1 0 218.713 0.942 10 0 BCAERO COC1([C@H]2OC[C@@H](C[NH3+])O2)CCCC1 ZINC000306543340 360411574 /nfs/dbraw/zinc/41/15/74/360411574.db2.gz SBEQERFWYOWYDG-BDAKNGLRSA-N 1 0 201.266 0.646 10 0 BCAERO CC(C)[C@H](C)[C@@H]([NH3+])[C@H]1CN(C)CCO1 ZINC000306553266 360426461 /nfs/dbraw/zinc/42/64/61/360426461.db2.gz BCIXYEYKUCUOPP-HBNTYKKESA-N 1 0 200.326 0.936 10 0 BCAERO C[NH2+][C@@H](C)C(=O)N[C@H]1CS[C@@H](C)C1 ZINC000306585691 360485535 /nfs/dbraw/zinc/48/55/35/360485535.db2.gz QVYUPIYPBNKLJQ-BIIVOSGPSA-N 1 0 202.323 0.605 10 0 BCAERO C[C@H](C[NH3+])C(=O)N[C@@H]1CS[C@H](C)C1 ZINC000306590614 360496333 /nfs/dbraw/zinc/49/63/33/360496333.db2.gz VCKGLNBYMPPGFV-PRJMDXOYSA-N 1 0 202.323 0.591 10 0 BCAERO Cc1nnc(C(=O)C2=CC[C@H]([NH3+])C2)n1C ZINC000306578646 360468648 /nfs/dbraw/zinc/46/86/48/360468648.db2.gz MPTUHNHMLUOYJP-YUMQZZPRSA-N 1 0 206.249 0.210 10 0 BCAERO Cc1nnc(C(=O)C2=CC[C@H]([NH3+])C2)n1C ZINC000306578645 360468726 /nfs/dbraw/zinc/46/87/26/360468726.db2.gz MPTUHNHMLUOYJP-SFYZADRCSA-N 1 0 206.249 0.210 10 0 BCAERO C[C@@H]([NH3+])[C@](C)(O)c1c(Br)nnn1C ZINC000306600363 360520946 /nfs/dbraw/zinc/52/09/46/360520946.db2.gz SVRPMTFNSUKMHI-FBCQKBJTSA-N 1 0 249.112 0.132 10 0 BCAERO C[C@@H]1COCCN1C1(C[NH3+])CSC1 ZINC000306604942 360532505 /nfs/dbraw/zinc/53/25/05/360532505.db2.gz FNPUPCDWNGEIQU-MRVPVSSYSA-N 1 0 202.323 0.151 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)c2cn(C)cn2)C[NH2+]1 ZINC000306591267 360505281 /nfs/dbraw/zinc/50/52/81/360505281.db2.gz YKANAAPOEPCEAH-BDAKNGLRSA-N 1 0 207.277 0.991 10 0 BCAERO COC1(OC)CN([C@@H]2C[NH2+][C@@H](C)C2)C1 ZINC000306594705 360512955 /nfs/dbraw/zinc/51/29/55/360512955.db2.gz XMEGRFQDPYXHFO-IUCAKERBSA-N 1 0 200.282 0.042 10 0 BCAERO C[C@@H]1CSC[C@H]1N1CC[C@H]([NH3+])C1=O ZINC000306596059 360515177 /nfs/dbraw/zinc/51/51/77/360515177.db2.gz YKJOZDNELHMWJE-GJMOJQLCSA-N 1 0 200.307 0.298 10 0 BCAERO C[C@@H]([NH3+])[C@H](C)N1CCCCS1(=O)=O ZINC000306596907 360518478 /nfs/dbraw/zinc/51/84/78/360518478.db2.gz NKDLKTWSFZMDHN-SFYZADRCSA-N 1 0 206.311 0.148 10 0 BCAERO NC(=O)c1cccc(CO[C@@H]2CC[NH2+]C2)c1 ZINC000051782298 181303843 /nfs/dbraw/zinc/30/38/43/181303843.db2.gz PQIMEUVGFFGZOT-LLVKDONJSA-N 1 0 220.272 0.664 10 0 BCAERO NC(=O)c1ccnc(N[C@@H]2CCCC[C@@H]2[NH3+])c1 ZINC000038050977 181307481 /nfs/dbraw/zinc/30/74/81/181307481.db2.gz KECSPPCXAYDKSL-VHSXEESVSA-N 1 0 234.303 0.862 10 0 BCAERO NC(=O)c1ccccc1O[C@H]1CCC[NH2+]C1 ZINC000043501490 181306260 /nfs/dbraw/zinc/30/62/60/181306260.db2.gz BMFZPGSKOZHRMT-VIFPVBQESA-N 1 0 220.272 0.916 10 0 BCAERO NC(=O)c1ccccc1NC[C@H]1CCC[NH2+]1 ZINC000053255010 181306337 /nfs/dbraw/zinc/30/63/37/181306337.db2.gz TZKSRCPTRSPOCR-SECBINFHSA-N 1 0 219.288 0.949 10 0 BCAERO NC(=O)c1ccnc(OC[C@H]2CCC[NH2+]2)c1 ZINC000051866178 181307514 /nfs/dbraw/zinc/30/75/14/181307514.db2.gz VPXNBBJKEWMAHI-SECBINFHSA-N 1 0 221.260 0.311 10 0 BCAERO NC(=O)c1ccnc(N[C@@H]2CCCC[C@H]2[NH3+])c1 ZINC000038050979 181307160 /nfs/dbraw/zinc/30/71/60/181307160.db2.gz KECSPPCXAYDKSL-NXEZZACHSA-N 1 0 234.303 0.862 10 0 BCAERO NC(=O)c1cccnc1OC[C@H]1CC[NH2+]C1 ZINC000051889034 181307642 /nfs/dbraw/zinc/30/76/42/181307642.db2.gz AFLXDIJJZXXFHD-QMMMGPOBSA-N 1 0 221.260 0.169 10 0 BCAERO OCC[N@@H+]1CCC[C@@H](NCc2cocn2)C1 ZINC000309557491 491151453 /nfs/dbraw/zinc/15/14/53/491151453.db2.gz IEIRVXCXHUOLKE-SNVBAGLBSA-N 1 0 225.292 0.221 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)N1CCC[C@@H](OC)C1 ZINC000154283654 360792257 /nfs/dbraw/zinc/79/22/57/360792257.db2.gz VDFCFIFGECEEEB-NXEZZACHSA-N 1 0 214.309 0.751 10 0 BCAERO NC(=O)c1c[nH+]ccc1NC[C@@H]1CCC[C@@H]1O ZINC000302025766 181309215 /nfs/dbraw/zinc/30/92/15/181309215.db2.gz KSUZRALIWHQWEF-KWQFWETISA-N 1 0 235.287 0.753 10 0 BCAERO FCCCCCN1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000420398206 200847129 /nfs/dbraw/zinc/84/71/29/200847129.db2.gz GJVAKVKPFJLSGI-WDEREUQCSA-N 1 0 216.300 0.799 10 0 BCAERO C[C@H]1CC[NH2+][C@H](CCS(C)(=O)=O)C1 ZINC000069940531 361162297 /nfs/dbraw/zinc/16/22/97/361162297.db2.gz DCNLGYISHKQOCQ-DTWKUNHWSA-N 1 0 205.323 0.809 10 0 BCAERO [NH3+]C1(C(=O)N2CCS(=O)CC2)CCCCC1 ZINC000049692774 181324394 /nfs/dbraw/zinc/32/43/94/181324394.db2.gz FIZWSNOOSNCERE-UHFFFAOYSA-N 1 0 244.360 0.239 10 0 BCAERO C[C@@H](NC(=O)NCC[NH+](C)C)[C@H]1CCCO1 ZINC000133456687 491154765 /nfs/dbraw/zinc/15/47/65/491154765.db2.gz AKLWRZZAHNQYLS-NXEZZACHSA-N 1 0 229.324 0.415 10 0 BCAERO [NH3+]C1(C(=O)NC2(CO)CCCC2)CCCC1 ZINC000053072063 181325385 /nfs/dbraw/zinc/32/53/85/181325385.db2.gz DGSVNLNUFBXKIS-UHFFFAOYSA-N 1 0 226.320 0.679 10 0 BCAERO CC[N@@H+]1CCC[C@@H]1CN(C)C[C@H](C)O ZINC000158506413 361199776 /nfs/dbraw/zinc/19/97/76/361199776.db2.gz VRUUQTNJKZOLCG-WDEREUQCSA-N 1 0 200.326 0.783 10 0 BCAERO Cc1csc(N2CCO[C@@H](C[NH3+])C2)n1 ZINC000041059043 361220873 /nfs/dbraw/zinc/22/08/73/361220873.db2.gz MFUSNPJTFAWGIE-QMMMGPOBSA-N 1 0 213.306 0.615 10 0 BCAERO [NH3+]C1(C(=O)N2[C@@H]3CC[C@H]2CC(O)C3)CCCC1 ZINC000104256889 181326444 /nfs/dbraw/zinc/32/64/44/181326444.db2.gz BRWUYJYSBLCYNA-ZACCUICWSA-N 1 0 238.331 0.772 10 0 BCAERO Cc1nc(C)n([C@@H](C[NH3+])C(F)(F)F)n1 ZINC000041062655 361244251 /nfs/dbraw/zinc/24/42/51/361244251.db2.gz LFJLBSZMKYHDEM-LURJTMIESA-N 1 0 208.187 0.957 10 0 BCAERO CC(C)OCCCN1CC[C@H]2OCC[NH2+][C@@H]2C1 ZINC000578994418 366689677 /nfs/dbraw/zinc/68/96/77/366689677.db2.gz RBAUZFOTSCJQDN-CHWSQXEVSA-N 1 0 242.363 0.864 10 0 BCAERO [NH3+]C1(C(=O)N[C@@H]2CCCC[C@@H]2O)CCCC1 ZINC000052009962 181326966 /nfs/dbraw/zinc/32/69/66/181326966.db2.gz JRKMGASNBSWFDF-ZJUUUORDSA-N 1 0 226.320 0.678 10 0 BCAERO C[C@@H]1CN([C@@H](C[NH3+])C(F)(F)F)C[C@@H]1O ZINC000306628534 361298845 /nfs/dbraw/zinc/29/88/45/361298845.db2.gz JOPRJXJKCBXIHF-VQVTYTSYSA-N 1 0 212.215 0.189 10 0 BCAERO [NH3+]C1(C(=O)N[C@@H]2CCCOC2)CCCCC1 ZINC000071023640 181328204 /nfs/dbraw/zinc/32/82/04/181328204.db2.gz AYAKEGAHZHVXSV-SNVBAGLBSA-N 1 0 226.320 0.943 10 0 BCAERO CC(C)n1nnnc1CN(C)[C@@H](C)C[NH3+] ZINC000579124230 366717549 /nfs/dbraw/zinc/71/75/49/366717549.db2.gz IYTICKFSBBLXCR-QMMMGPOBSA-N 1 0 212.301 0.033 10 0 BCAERO [NH3+][C@@H]1CCC[C@H]1NC(=O)[C@@H]1CCCS1 ZINC000069986861 361322360 /nfs/dbraw/zinc/32/23/60/361322360.db2.gz ITWBSMUBHPKUPS-HLTSFMKQSA-N 1 0 214.334 0.878 10 0 BCAERO CC(C)(C[NH3+])NC(=O)[C@H]1CCSC1 ZINC000069986808 361322543 /nfs/dbraw/zinc/32/25/43/361322543.db2.gz RZNRBIVXGROSAC-ZETCQYMHSA-N 1 0 202.323 0.593 10 0 BCAERO [NH3+]C[C@H]1CCN(C(=O)[C@H]2CCSC2)C1 ZINC000069986682 361322617 /nfs/dbraw/zinc/32/26/17/361322617.db2.gz VHSCOOFGLGIWQV-BDAKNGLRSA-N 1 0 214.334 0.547 10 0 BCAERO [NH3+]C[C@@H]1CCN(C(=O)[C@@H]2CCSC2)C1 ZINC000069986677 361322632 /nfs/dbraw/zinc/32/26/32/361322632.db2.gz VHSCOOFGLGIWQV-DTWKUNHWSA-N 1 0 214.334 0.547 10 0 BCAERO [NH3+]C1(C(=O)OC[C@@H]2CCOC2)CCCC1 ZINC000049688544 181330696 /nfs/dbraw/zinc/33/06/96/181330696.db2.gz QEJIKVODSSLNRG-SECBINFHSA-N 1 0 213.277 0.838 10 0 BCAERO OCC[C@H]1CC[N@H+](CCn2ccnc2)C1 ZINC000162894952 361369850 /nfs/dbraw/zinc/36/98/50/361369850.db2.gz RVIDUNGJWCFVOD-LLVKDONJSA-N 1 0 209.293 0.587 10 0 BCAERO COc1ccc(C[NH2+][C@@H]2CCNC2=O)cn1 ZINC000309844525 491157045 /nfs/dbraw/zinc/15/70/45/491157045.db2.gz FWVZNPHUPGFFIB-SECBINFHSA-N 1 0 221.260 0.068 10 0 BCAERO Cc1ccncc1CN1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000629543355 361421571 /nfs/dbraw/zinc/42/15/71/361421571.db2.gz YZEGPMNYWWLDJE-QWHCGFSZSA-N 1 0 233.315 0.563 10 0 BCAERO O=C(N[C@H]1c2ccccc2C[C@@H]1O)[C@H]1CC[NH2+]C1 ZINC000579470287 366818446 /nfs/dbraw/zinc/81/84/46/366818446.db2.gz DDNDZBQSJVTGKO-DRZSPHRISA-N 1 0 246.310 0.370 10 0 BCAERO CCN(Cc1ccoc1)C(=O)[C@@H]([NH3+])COC ZINC000629601215 361492302 /nfs/dbraw/zinc/49/23/02/361492302.db2.gz HUTNJSYLEGBHCE-JTQLQIEISA-N 1 0 226.276 0.602 10 0 BCAERO CC[NH2+]C[C@H]1C[C@]12CCCS(=O)(=O)C2 ZINC000070079206 361452752 /nfs/dbraw/zinc/45/27/52/361452752.db2.gz DRVHFHUVWBAWIO-ZJUUUORDSA-N 1 0 217.334 0.811 10 0 BCAERO CCN(CC[NH3+])Cc1nnnn1C(C)C ZINC000629558260 361452851 /nfs/dbraw/zinc/45/28/51/361452851.db2.gz VUIPDMBMVBAUBE-UHFFFAOYSA-N 1 0 212.301 0.035 10 0 BCAERO O[C@H](C[NH2+][C@H]1CCOC[C@H]1O)CC1CCCC1 ZINC000629608553 361495919 /nfs/dbraw/zinc/49/59/19/361495919.db2.gz JFTXVHPYEYWLIQ-RWMBFGLXSA-N 1 0 243.347 0.667 10 0 BCAERO C[NH+]1CCC(C(=O)NC[C@H](O)C(C)(C)C)CC1 ZINC000433967763 201199860 /nfs/dbraw/zinc/19/98/60/201199860.db2.gz FLKYNRNUEANAAK-NSHDSACASA-N 1 0 242.363 0.851 10 0 BCAERO O=C1NCC[C@H]1[NH2+]C[C@@H]1CCCCS1 ZINC000306639004 361590766 /nfs/dbraw/zinc/59/07/66/361590766.db2.gz CFKJBJSBEBHCFK-DTWKUNHWSA-N 1 0 214.334 0.750 10 0 BCAERO [NH3+]C1CC(NC(=O)Cc2cccc(O)c2)C1 ZINC000042417868 181340277 /nfs/dbraw/zinc/34/02/77/181340277.db2.gz XTJDGKLLDPVDMQ-UHFFFAOYSA-N 1 0 220.272 0.541 10 0 BCAERO COCc1noc([C@@]2(C)C[C@@H](OC)C[NH2+]2)n1 ZINC000629678191 361600113 /nfs/dbraw/zinc/60/01/13/361600113.db2.gz IOOUKMLZVUFSNG-GMSGAONNSA-N 1 0 227.264 0.440 10 0 BCAERO [NH3+]C1CCC(C(=O)N2CCOCC2)CC1 ZINC000037481579 181340732 /nfs/dbraw/zinc/34/07/32/181340732.db2.gz XRXGTVZAZLMNSG-UHFFFAOYSA-N 1 0 212.293 0.363 10 0 BCAERO C[NH+](C)CCc1nnc2c(Cl)nccn12 ZINC000070616377 361632841 /nfs/dbraw/zinc/63/28/41/361632841.db2.gz DZYCCHPHDMBDBL-UHFFFAOYSA-N 1 0 225.683 0.882 10 0 BCAERO [NH3+]C1CCC(C(=O)NC[C@H]2COCCO2)CC1 ZINC000038062347 181340355 /nfs/dbraw/zinc/34/03/55/181340355.db2.gz IJZAJNYBABGMAO-ILDUYXDCSA-N 1 0 242.319 0.036 10 0 BCAERO [NH3+]C1CC(NC(=O)Cc2ccccc2F)C1 ZINC000036237131 181340414 /nfs/dbraw/zinc/34/04/14/181340414.db2.gz FTUXATNUWPCBHN-UHFFFAOYSA-N 1 0 222.263 0.974 10 0 BCAERO c1nnc2c(NC3CC[NH2+]CC3)nccn12 ZINC000070616633 361633780 /nfs/dbraw/zinc/63/37/80/361633780.db2.gz CUNRJKACYXGLOZ-UHFFFAOYSA-N 1 0 218.264 0.288 10 0 BCAERO [NH3+]C1CC(NC(=O)c2cccc(O)c2)C1 ZINC000036237127 181340565 /nfs/dbraw/zinc/34/05/65/181340565.db2.gz GWAPYUNZBUYJSY-UHFFFAOYSA-N 1 0 206.245 0.612 10 0 BCAERO [NH3+]C1CCC(N2C(=O)CCCC2=O)CC1 ZINC000036881171 181341687 /nfs/dbraw/zinc/34/16/87/181341687.db2.gz DDZDPIQTRDUNTR-UHFFFAOYSA-N 1 0 210.277 0.795 10 0 BCAERO [NH3+]C1CCC(O[C@H]2CCS(=O)(=O)C2)CC1 ZINC000055143234 181342225 /nfs/dbraw/zinc/34/22/25/181342225.db2.gz UUUVQGYEHUGDED-RTBKNWGFSA-N 1 0 233.333 0.460 10 0 BCAERO C[C@H](C[NH3+])NC(=O)c1ccc(N(C)C)cc1 ZINC000082239023 361655592 /nfs/dbraw/zinc/65/55/92/361655592.db2.gz SNQRHHWLFRARCH-SECBINFHSA-N 1 0 221.304 0.830 10 0 BCAERO [NH3+]C1CCN(CC(=O)c2cnccn2)CC1 ZINC000095072380 181343196 /nfs/dbraw/zinc/34/31/96/181343196.db2.gz ZUHRFEORUGUQLI-UHFFFAOYSA-N 1 0 220.276 0.082 10 0 BCAERO O=S1(=O)CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000070627829 361679719 /nfs/dbraw/zinc/67/97/19/361679719.db2.gz CUCCZZUSAVGRDU-DTWKUNHWSA-N 1 0 203.307 0.421 10 0 BCAERO C[C@@H]1CN(c2nc(C[NH3+])cs2)CCO1 ZINC000070628760 361680520 /nfs/dbraw/zinc/68/05/20/361680520.db2.gz LMFATZBSBYAVPG-SSDOTTSWSA-N 1 0 213.306 0.827 10 0 BCAERO O=C1CC[C@H](C[NH2+][C@@H]2CCCSC2)N1 ZINC000070628201 361681889 /nfs/dbraw/zinc/68/18/89/361681889.db2.gz IQPHBNOOHYPUDJ-RKDXNWHRSA-N 1 0 214.334 0.750 10 0 BCAERO Cc1nnc(SC[C@H]2C[NH2+]CCO2)o1 ZINC000070649862 361695674 /nfs/dbraw/zinc/69/56/74/361695674.db2.gz GWYJBYMHYSEKDW-SSDOTTSWSA-N 1 0 215.278 0.459 10 0 BCAERO Cc1csc(NC[C@@H]([NH3+])[C@H](C)O)n1 ZINC000070648108 361695730 /nfs/dbraw/zinc/69/57/30/361695730.db2.gz OQBOJKBFDKEGEE-NKWVEPMBSA-N 1 0 201.295 0.572 10 0 BCAERO [NH3+]CC(=O)NCCCOc1cccc(F)c1 ZINC000041246996 181352217 /nfs/dbraw/zinc/35/22/17/181352217.db2.gz BJFQYCKBYUXMGZ-UHFFFAOYSA-N 1 0 226.251 0.670 10 0 BCAERO O=C1CCC2(C[C@@H]1[C@H]1CCC[NH2+]1)OCCO2 ZINC000713937066 541302357 /nfs/dbraw/zinc/30/23/57/541302357.db2.gz CXKBKJQVNQPGJM-NXEZZACHSA-N 1 0 225.288 0.851 10 0 BCAERO O=C1CCC2(C[C@H]1[C@H]1CCC[NH2+]1)OCCO2 ZINC000713937074 541302489 /nfs/dbraw/zinc/30/24/89/541302489.db2.gz CXKBKJQVNQPGJM-VHSXEESVSA-N 1 0 225.288 0.851 10 0 BCAERO COc1nc(N2CC[NH2+]CC2)c(C=O)s1 ZINC000306335005 541312826 /nfs/dbraw/zinc/31/28/26/541312826.db2.gz AOXHURDKZQHDIZ-UHFFFAOYSA-N 1 0 227.289 0.374 10 0 BCAERO CCCOCC(=O)N1C[C@H](OC)C[C@@]1(C)C[NH3+] ZINC000630367502 364085217 /nfs/dbraw/zinc/08/52/17/364085217.db2.gz CYXPQKRAUJGEEW-PWSUYJOCSA-N 1 0 244.335 0.378 10 0 BCAERO N[C@@H](C[NH+]1CCCCC1)c1ncccn1 ZINC000725255127 541332266 /nfs/dbraw/zinc/33/22/66/541332266.db2.gz SZCRWDGTSRUZSO-JTQLQIEISA-N 1 0 206.293 0.962 10 0 BCAERO CO[C@@H]1C[N@H+](C[C@H]2CCOC2)[C@@](C)(C[NH3+])C1 ZINC000630357859 364079347 /nfs/dbraw/zinc/07/93/47/364079347.db2.gz GAXFCQASWOPMKY-GRYCIOLGSA-N 1 0 228.336 0.461 10 0 BCAERO CO[C@@H]1C[N@H+](C[C@@H]2CCOC2)[C@](C)(C[NH3+])C1 ZINC000630357862 364079804 /nfs/dbraw/zinc/07/98/04/364079804.db2.gz GAXFCQASWOPMKY-SRVKXCTJSA-N 1 0 228.336 0.461 10 0 BCAERO CO[C@H]1CN(C(=O)C2CCC2)[C@@](C)(C[NH3+])C1 ZINC000630359837 364080510 /nfs/dbraw/zinc/08/05/10/364080510.db2.gz HFJYSPDTIYGFEO-ZYHUDNBSSA-N 1 0 226.320 0.751 10 0 BCAERO CO[C@@H]1CN(C(=O)c2ccon2)[C@](C)(C[NH3+])C1 ZINC000630359907 364080519 /nfs/dbraw/zinc/08/05/19/364080519.db2.gz NTKYYEQFTCVDQX-KWQFWETISA-N 1 0 239.275 0.253 10 0 BCAERO CO[C@@H]1CN(Cc2ccno2)[C@@](C)(C[NH3+])C1 ZINC000630361804 364080981 /nfs/dbraw/zinc/08/09/81/364080981.db2.gz VWNZCJZJQGHJOX-WDEREUQCSA-N 1 0 225.292 0.613 10 0 BCAERO CCOCCCN1C[C@H](OC)C[C@]1(C)C[NH3+] ZINC000630361270 364081113 /nfs/dbraw/zinc/08/11/13/364081113.db2.gz IMASVPYNUWXRAV-VXGBXAGGSA-N 1 0 230.352 0.851 10 0 BCAERO CO[C@H]1CN(Cc2cnn(C)c2)[C@@](C)(C[NH3+])C1 ZINC000630363974 364081136 /nfs/dbraw/zinc/08/11/36/364081136.db2.gz NXMDBGGMRAIATE-VXGBXAGGSA-N 1 0 238.335 0.358 10 0 BCAERO CS(=O)(=O)c1cnn(CCCC(N)=[NH2+])c1 ZINC000725251688 541330984 /nfs/dbraw/zinc/33/09/84/541330984.db2.gz MDNVMGZHWZEVGA-UHFFFAOYSA-N 1 0 230.293 0.003 10 0 BCAERO C[C@@H]([NH3+])CCCn1cc(S(C)(=O)=O)cn1 ZINC000725251680 541331043 /nfs/dbraw/zinc/33/10/43/541331043.db2.gz FEPFYXWOSAGVMH-MRVPVSSYSA-N 1 0 231.321 0.414 10 0 BCAERO CCOCCC(=O)N1C[C@H](OC)C[C@@]1(C)C[NH3+] ZINC000630368264 364085029 /nfs/dbraw/zinc/08/50/29/364085029.db2.gz QAVOAVSMCRFANU-PWSUYJOCSA-N 1 0 244.335 0.378 10 0 BCAERO CO[C@@H]1CN(C(=O)CC(C)C)[C@@](C)(C[NH3+])C1 ZINC000630365858 364083324 /nfs/dbraw/zinc/08/33/24/364083324.db2.gz ZDAFUEYLMDKDMQ-CMPLNLGQSA-N 1 0 228.336 0.997 10 0 BCAERO CO[C@@H]1CN(C(=O)NC(C)C)[C@@](C)(C[NH3+])C1 ZINC000630366451 364086669 /nfs/dbraw/zinc/08/66/69/364086669.db2.gz KPSPMJRRQSIKQS-GXSJLCMTSA-N 1 0 229.324 0.543 10 0 BCAERO CO[C@@H]1CN(C(=O)C2CC(C)C2)[C@@](C)(C[NH3+])C1 ZINC000630370878 364087853 /nfs/dbraw/zinc/08/78/53/364087853.db2.gz HPFUTHDYSMUOQY-TWHWIZHFSA-N 1 0 240.347 0.997 10 0 BCAERO CO[C@H]1CN(Cc2noc(C)n2)[C@](C)(C[NH3+])C1 ZINC000630369751 364088128 /nfs/dbraw/zinc/08/81/28/364088128.db2.gz XSOSQZRSSSHDNY-KOLCDFICSA-N 1 0 240.307 0.316 10 0 BCAERO COc1cc(N2C[C@@H](C)[C@@H](C[NH3+])C2)ncn1 ZINC000630386865 364101097 /nfs/dbraw/zinc/10/10/97/364101097.db2.gz ASWRBZMRVXYKNE-BDAKNGLRSA-N 1 0 222.292 0.516 10 0 BCAERO [NH3+]CC(=O)Nc1cc2c(cc1Cl)OCO2 ZINC000035052199 181355869 /nfs/dbraw/zinc/35/58/69/181355869.db2.gz CKPCDLYBRTYFJU-UHFFFAOYSA-N 1 0 228.635 0.966 10 0 BCAERO COc1ccnc(N2C[C@@H](C[NH3+])[C@H](C)C2)n1 ZINC000630387447 364102337 /nfs/dbraw/zinc/10/23/37/364102337.db2.gz PHTAYPPRQMEUDC-RKDXNWHRSA-N 1 0 222.292 0.516 10 0 BCAERO NC(=O)Nc1cccc(NC(=O)C[NH3+])c1 ZINC000037041036 181355979 /nfs/dbraw/zinc/35/59/79/181355979.db2.gz MSHCOFMWQZGOMZ-UHFFFAOYSA-N 1 0 208.221 0.074 10 0 BCAERO O=C(NCC1CC1)Nc1ccnn1C1C[NH2+]C1 ZINC000725259485 541333746 /nfs/dbraw/zinc/33/37/46/541333746.db2.gz CCKVRWGCRAATAL-UHFFFAOYSA-N 1 0 235.291 0.559 10 0 BCAERO [NH3+]CC1(C(=O)N2CCSCC2)CCC1 ZINC000082642719 181357660 /nfs/dbraw/zinc/35/76/60/181357660.db2.gz APZYIKPZXRBIFS-UHFFFAOYSA-N 1 0 214.334 0.691 10 0 BCAERO COCCNC(=O)N1CCCCC[C@H]1C[NH3+] ZINC000725269747 541339012 /nfs/dbraw/zinc/33/90/12/541339012.db2.gz QETJULRSBXBBID-JTQLQIEISA-N 1 0 229.324 0.546 10 0 BCAERO CC(C)C[NH2+]C[C@H](O)[C@H]1COC(C)(C)O1 ZINC000725269775 541339028 /nfs/dbraw/zinc/33/90/28/541339028.db2.gz YTAOAEAUMYZBFF-VHSXEESVSA-N 1 0 217.309 0.744 10 0 BCAERO COC(=O)c1ccc(N2CC([NH3+])C2)nc1 ZINC000725273528 541340559 /nfs/dbraw/zinc/34/05/59/541340559.db2.gz JGVVYZCUWYFSIP-UHFFFAOYSA-N 1 0 207.233 0.016 10 0 BCAERO COC[C@H]1C[NH2+]CCN1C(=O)C1(C)CC1 ZINC000725273034 541340580 /nfs/dbraw/zinc/34/05/80/541340580.db2.gz POZVYWSQEPMZGU-SECBINFHSA-N 1 0 212.293 0.233 10 0 BCAERO [NH3+]CC1(C(=O)N2CC[C@@H](O)C2)CCCC1 ZINC000061710984 181357831 /nfs/dbraw/zinc/35/78/31/181357831.db2.gz YTFQBMUOTHWHJN-SECBINFHSA-N 1 0 212.293 0.099 10 0 BCAERO CCC(=O)N1C[C@@H](C)OC2(CC[NH2+]CC2)C1 ZINC000725272961 541340754 /nfs/dbraw/zinc/34/07/54/541340754.db2.gz WEPLLCOSMISUAH-SNVBAGLBSA-N 1 0 226.320 0.766 10 0 BCAERO [NH3+]CC1(C(=O)N2CCSCC2)CC1 ZINC000082638833 181358109 /nfs/dbraw/zinc/35/81/09/181358109.db2.gz ANXJILMGPOYBTF-UHFFFAOYSA-N 1 0 200.307 0.301 10 0 BCAERO C[NH2+]CCOCCN(C)c1ccnc(C)n1 ZINC000630529173 364216179 /nfs/dbraw/zinc/21/61/79/364216179.db2.gz TXDIWUNLCJBJGR-UHFFFAOYSA-N 1 0 224.308 0.457 10 0 BCAERO C[NH2+]CCOCCNc1nc(C)cnc1C ZINC000630530441 364218797 /nfs/dbraw/zinc/21/87/97/364218797.db2.gz JZTZSTPCRGQBHM-UHFFFAOYSA-N 1 0 224.308 0.741 10 0 BCAERO C[C@]12C[NH2+]C[C@@]1(C)CN(c1cnccn1)C2 ZINC000630538391 364233456 /nfs/dbraw/zinc/23/34/56/364233456.db2.gz JZVKTHFYRACACO-TXEJJXNPSA-N 1 0 218.304 0.912 10 0 BCAERO C[C@@H]1[NH2+]CC[C@H]1Nc1ccc(C(=O)N(C)C)cn1 ZINC000630544569 364240166 /nfs/dbraw/zinc/24/01/66/364240166.db2.gz IHGCZZCQNJVPFF-GXSJLCMTSA-N 1 0 248.330 0.946 10 0 BCAERO C[C@H]1CN(c2ncnc3c2cnn3C)C[C@@H]1C[NH3+] ZINC000630576267 364275114 /nfs/dbraw/zinc/27/51/14/364275114.db2.gz XWTNLJBYVKZSAK-IUCAKERBSA-N 1 0 246.318 0.394 10 0 BCAERO C[C@@H]1CN(c2ccnc(N(C)C)n2)C[C@H]1C[NH3+] ZINC000630552193 364246617 /nfs/dbraw/zinc/24/66/17/364246617.db2.gz CEVBLTMRPKZWBN-NXEZZACHSA-N 1 0 235.335 0.574 10 0 BCAERO C[C@@H]1CN(c2ncnc3c2cnn3C)C[C@@H]1C[NH3+] ZINC000630576261 364275259 /nfs/dbraw/zinc/27/52/59/364275259.db2.gz XWTNLJBYVKZSAK-BDAKNGLRSA-N 1 0 246.318 0.394 10 0 BCAERO Cc1nnc(N2C[C@@H](C[NH3+])[C@H](C)C2)nc1C ZINC000630554932 364253286 /nfs/dbraw/zinc/25/32/86/364253286.db2.gz WCHXZVQHNHVIHQ-GMSGAONNSA-N 1 0 221.308 0.519 10 0 BCAERO [NH3+]CC1(C(=O)NC[C@@H]2CCOC2)CCCC1 ZINC000061146833 181359443 /nfs/dbraw/zinc/35/94/43/181359443.db2.gz HHNJBLXFFBMODI-JTQLQIEISA-N 1 0 226.320 0.658 10 0 BCAERO C[C@@H]1C[C@H]([NH3+])CN1c1ncnc2[nH]ccc21 ZINC000630559085 364259704 /nfs/dbraw/zinc/25/97/04/364259704.db2.gz OPLDSUVRXOFUSD-SFYZADRCSA-N 1 0 217.276 0.884 10 0 BCAERO C[C@@H]1CN(c2ccc3nncn3n2)C[C@H]1C[NH3+] ZINC000630571738 364266950 /nfs/dbraw/zinc/26/69/50/364266950.db2.gz OVULFNJZASNYDW-RKDXNWHRSA-N 1 0 232.291 0.155 10 0 BCAERO Cc1nnc(N2C[C@H](C)[C@H](C[NH3+])C2)s1 ZINC000630573554 364269906 /nfs/dbraw/zinc/26/99/06/364269906.db2.gz UVPOQIDGXUJMAT-POYBYMJQSA-N 1 0 212.322 0.878 10 0 BCAERO [NH3+]CC1(Cc2n[nH]c(=O)[n-]2)CCCCC1 ZINC000043413941 181360278 /nfs/dbraw/zinc/36/02/78/181360278.db2.gz YGOUPBOABRYDQX-UHFFFAOYSA-N 1 0 210.281 0.550 10 0 BCAERO Cc1noc2ncnc(N3C[C@H](C)[C@H](C[NH3+])C3)c12 ZINC000630574988 364273372 /nfs/dbraw/zinc/27/33/72/364273372.db2.gz WDVQRPKAAYWKEL-IONNQARKSA-N 1 0 247.302 0.957 10 0 BCAERO Cc1cc(N2C[C@@H](C)[C@@H](C[NH3+])C2)ncn1 ZINC000630575020 364273828 /nfs/dbraw/zinc/27/38/28/364273828.db2.gz WSIDHDODASSITC-SCZZXKLOSA-N 1 0 206.293 0.816 10 0 BCAERO C[C@H]1CC[C@@H](Nc2ccc3nccnc3n2)C[NH2+]1 ZINC000630534507 364227353 /nfs/dbraw/zinc/22/73/53/364227353.db2.gz LVGSPUJJIBBQBV-VHSXEESVSA-N 1 0 243.314 0.951 10 0 BCAERO Cc1noc2ncnc(N3C[C@H](C)[C@@H](C[NH3+])C3)c12 ZINC000630574987 364273941 /nfs/dbraw/zinc/27/39/41/364273941.db2.gz WDVQRPKAAYWKEL-CBAPKCEASA-N 1 0 247.302 0.957 10 0 BCAERO CCCc1nccnc1N(C)CCOCC[NH3+] ZINC000630536005 364231335 /nfs/dbraw/zinc/23/13/35/364231335.db2.gz KIRONAADOKMDRL-UHFFFAOYSA-N 1 0 238.335 0.841 10 0 BCAERO CC(C)CNC(=O)C[NH2+][C@@H]1CCO[C@@H]1C ZINC000134547767 364406792 /nfs/dbraw/zinc/40/67/92/364406792.db2.gz BBWJQWMKBQKWGF-NXEZZACHSA-N 1 0 214.309 0.526 10 0 BCAERO OCc1ccnc(N2CC[N@@H+]3CCCC[C@@H]3C2)n1 ZINC000547340327 364390802 /nfs/dbraw/zinc/39/08/02/364390802.db2.gz ZCIUZVYYEWHSTJ-GFCCVEGCSA-N 1 0 248.330 0.643 10 0 BCAERO C[C@H](CC[NH3+])Nc1ccnc(N(C)C)n1 ZINC000134273903 364396695 /nfs/dbraw/zinc/39/66/95/364396695.db2.gz ZYZPLLKLXSLHIL-MRVPVSSYSA-N 1 0 209.297 0.692 10 0 BCAERO [NH3+]CC1(c2nnc3cccnn32)CCOCC1 ZINC000083114132 181364246 /nfs/dbraw/zinc/36/42/46/181364246.db2.gz GFCCYEGRRLMEKZ-UHFFFAOYSA-N 1 0 233.275 0.131 10 0 BCAERO [NH3+]CC1(c2nnc3n2CCCC3)CCOCC1 ZINC000083336879 181363464 /nfs/dbraw/zinc/36/34/64/181363464.db2.gz WULYCDPJFKDVIH-UHFFFAOYSA-N 1 0 236.319 0.621 10 0 BCAERO CCOCCCC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170866198 364544845 /nfs/dbraw/zinc/54/48/45/364544845.db2.gz FMMZEHSTSJKYTG-NSHDSACASA-N 1 0 228.336 0.966 10 0 BCAERO CC1(C)CSC(NCCS(C)(=O)=O)=[NH+]1 ZINC000037750916 364588444 /nfs/dbraw/zinc/58/84/44/364588444.db2.gz JCVCKOSMUIECPJ-UHFFFAOYSA-N 1 0 236.362 0.502 10 0 BCAERO CC[C@@H](OC)C(=O)N1CCCC[C@H]1C[NH3+] ZINC000261551687 364599359 /nfs/dbraw/zinc/59/93/59/364599359.db2.gz QUXCYZYQDXPHRV-VHSXEESVSA-N 1 0 214.309 0.751 10 0 BCAERO [NH3+]CCC(=O)NCCc1ccc(O)cc1 ZINC000040736811 181367642 /nfs/dbraw/zinc/36/76/42/181367642.db2.gz OZFHHYMIVKWXMF-UHFFFAOYSA-N 1 0 208.261 0.400 10 0 BCAERO COC(=O)[C@@H]1CCCN(C[C@H]2CCC[N@@H+]2C)C1 ZINC000387408048 364669480 /nfs/dbraw/zinc/66/94/80/364669480.db2.gz LYEBBBWDMZCELP-VXGBXAGGSA-N 1 0 240.347 0.966 10 0 BCAERO NC(=O)c1cccc(NC(=O)CC[NH3+])c1 ZINC000040854333 181369448 /nfs/dbraw/zinc/36/94/48/181369448.db2.gz BVTHGRXBGOHFJP-UHFFFAOYSA-N 1 0 207.233 0.073 10 0 BCAERO [NH3+]CCCC(=O)N1CCc2ncccc2C1 ZINC000037484106 181371269 /nfs/dbraw/zinc/37/12/69/181371269.db2.gz IJRCNFOTMHPORA-UHFFFAOYSA-N 1 0 219.288 0.705 10 0 BCAERO C[C@H]1C[C@H](C[NH3+])CN1C(=O)[C@H]1CCCO1 ZINC000166397489 364786269 /nfs/dbraw/zinc/78/62/69/364786269.db2.gz VUUKJFJJJUJBCM-IVZWLZJFSA-N 1 0 212.293 0.361 10 0 BCAERO CC(C)[NH2+]CCCNc1nccn2cnnc12 ZINC000573310138 364793424 /nfs/dbraw/zinc/79/34/24/364793424.db2.gz GIOUBPUIFCWDFW-UHFFFAOYSA-N 1 0 234.307 0.924 10 0 BCAERO [NH3+]CCCC(=O)N[C@H]1CCCC[C@H]1O ZINC000052009519 181372182 /nfs/dbraw/zinc/37/21/82/181372182.db2.gz NPYZTORQDCURJG-DTWKUNHWSA-N 1 0 200.282 0.145 10 0 BCAERO CCC1(O)CCN(C(=O)[C@@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000573737622 364906644 /nfs/dbraw/zinc/90/66/44/364906644.db2.gz YEDWCECGMZSGLG-GHMZBOCLSA-N 1 0 240.347 0.877 10 0 BCAERO Cn1ccc(CC(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)n1 ZINC000573833961 364926830 /nfs/dbraw/zinc/92/68/30/364926830.db2.gz IXIWGJKNDJSAMX-DLOVCJGASA-N 1 0 248.330 0.158 10 0 BCAERO NC(=O)[C@@H]1CCCN1C(=O)CCCCCC[NH3+] ZINC000020294842 181374416 /nfs/dbraw/zinc/37/44/16/181374416.db2.gz XKHLTWGTLBUTHT-JTQLQIEISA-N 1 0 241.335 0.372 10 0 BCAERO NC(=O)N(CCC[NH3+])Cc1cccnc1 ZINC000019813329 181379768 /nfs/dbraw/zinc/37/97/68/181379768.db2.gz GLEXPDQGCFCGIQ-UHFFFAOYSA-N 1 0 208.265 0.311 10 0 BCAERO [NH3+]CCCN1C(=O)c2ccccc2S1(=O)=O ZINC000019502320 181379776 /nfs/dbraw/zinc/37/97/76/181379776.db2.gz ANUFLARGBWZXIC-UHFFFAOYSA-N 1 0 240.284 0.180 10 0 BCAERO [NH3+]CCCN1C(=O)C[C@H](c2ccccc2)C1=O ZINC000051355134 181379802 /nfs/dbraw/zinc/37/98/02/181379802.db2.gz SOZOWPYMYSCITB-LLVKDONJSA-N 1 0 232.283 0.878 10 0 BCAERO C[C@H]1CC(NC(=O)[C@@H]2CC[NH2+]C2)C[C@H](C)O1 ZINC000574403271 365055296 /nfs/dbraw/zinc/05/52/96/365055296.db2.gz BMVNICFFDFTHPI-LPEHRKFASA-N 1 0 226.320 0.668 10 0 BCAERO [NH3+]CCCc1nc2ccccc2n1CCO ZINC000019734058 181387687 /nfs/dbraw/zinc/38/76/87/181387687.db2.gz CHYMKNSBROCSEM-UHFFFAOYSA-N 1 0 219.288 0.920 10 0 BCAERO [NH3+]CCCn1cnc2sccc2c1=O ZINC000019509937 181389328 /nfs/dbraw/zinc/38/93/28/181389328.db2.gz RGNZVOWAWYBWNX-UHFFFAOYSA-N 1 0 209.274 0.807 10 0 BCAERO [NH3+]CCN1CCO[C@@H](c2ccncc2)C1 ZINC000019729988 181391669 /nfs/dbraw/zinc/39/16/69/181391669.db2.gz OEUXJYPWVCGAJX-LLVKDONJSA-N 1 0 207.277 0.414 10 0 BCAERO [NH3+]CCN1C(=O)S/C(=C/[C@@H]2CCOC2)C1=O ZINC000051691216 181391678 /nfs/dbraw/zinc/39/16/78/181391678.db2.gz QXQQQLQVJUKUNR-QAZRXNLGSA-N 1 0 242.300 0.561 10 0 BCAERO [NH3+]CCN(C1CCCC1)[C@H]1CCCCNC1=O ZINC000070975468 181390294 /nfs/dbraw/zinc/39/02/94/181390294.db2.gz ALOGIILICPQKKU-LBPRGKRZSA-N 1 0 239.363 0.858 10 0 BCAERO [NH3+]CCCn1nnnc1-c1ccccc1F ZINC000042199300 181390475 /nfs/dbraw/zinc/39/04/75/181390475.db2.gz QCTJUPBPQMMKJV-UHFFFAOYSA-N 1 0 221.239 0.828 10 0 BCAERO [NH3+]CCN1c2ccccc2OCCC1=O ZINC000082640052 181390991 /nfs/dbraw/zinc/39/09/91/181390991.db2.gz PRZXVIOQRGFXPS-UHFFFAOYSA-N 1 0 206.245 0.761 10 0 BCAERO NC(=O)c1cc(N(CCC[NH3+])C2CC2)ccn1 ZINC000035673085 181380273 /nfs/dbraw/zinc/38/02/73/181380273.db2.gz CJIQIGBQRUOMIH-UHFFFAOYSA-N 1 0 234.303 0.498 10 0 BCAERO [NH3+]CCNC(=O)c1cccc(F)c1F ZINC000054187442 181395546 /nfs/dbraw/zinc/39/55/46/181395546.db2.gz KMDOBTPMKOEGOE-UHFFFAOYSA-N 1 0 200.188 0.653 10 0 BCAERO [NH3+]CCNC(=O)c1ccc2nccnc2c1 ZINC000061410357 181395566 /nfs/dbraw/zinc/39/55/66/181395566.db2.gz NEQWWZSVZHNBRC-UHFFFAOYSA-N 1 0 216.244 0.318 10 0 BCAERO CCO[C@@H]1C[C@H]([NH2+]CC(C)(C)O)[C@@H]1OC ZINC000169206394 365099194 /nfs/dbraw/zinc/09/91/94/365099194.db2.gz MRYYJYYDUJAMKO-AEJSXWLSSA-N 1 0 217.309 0.539 10 0 BCAERO [NH3+]CCN[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000037712889 181396353 /nfs/dbraw/zinc/39/63/53/181396353.db2.gz OSXJCLMKUUFTCX-SNVBAGLBSA-N 1 0 240.328 0.453 10 0 BCAERO NC(=O)c1cc(Cl)ccc1NCC[NH3+] ZINC000052858597 181398504 /nfs/dbraw/zinc/39/85/04/181398504.db2.gz HETRBQAGJRUEQP-UHFFFAOYSA-N 1 0 213.668 0.810 10 0 BCAERO [NH3+]CCOCCc1ccc2c(c1)OCCO2 ZINC000057952664 181399288 /nfs/dbraw/zinc/39/92/88/181399288.db2.gz UDYOSJHIQCUCFF-UHFFFAOYSA-N 1 0 223.272 0.976 10 0 BCAERO [NH3+]CC[C@H](O)c1cccc2c1OCCO2 ZINC000082948549 181407575 /nfs/dbraw/zinc/40/75/75/181407575.db2.gz LWQMIEJYQUTOCA-VIFPVBQESA-N 1 0 209.245 0.840 10 0 BCAERO [NH3+]C[C@@H](C1CCOCC1)N1CCOCC1 ZINC000052176475 181416997 /nfs/dbraw/zinc/41/69/97/181416997.db2.gz HGQDBGLWHZLQHF-NSHDSACASA-N 1 0 214.309 0.073 10 0 BCAERO CNC(=O)NC(=O)CC[N@@H+]1CCS[C@@H](C)C1 ZINC000171692000 365227655 /nfs/dbraw/zinc/22/76/55/365227655.db2.gz MPEQISFCSLFOGE-QMMMGPOBSA-N 1 0 245.348 0.269 10 0 BCAERO [NH3+]C[C@@H]1CCCCN1CC(=O)c1cnccn1 ZINC000095072444 181427299 /nfs/dbraw/zinc/42/72/99/181427299.db2.gz RWPMSGJHRDAWIE-JTQLQIEISA-N 1 0 234.303 0.473 10 0 BCAERO [NH3+]C[C@@H]1CCCCN1C(=O)[C@H]1CCOC1 ZINC000044540745 181427787 /nfs/dbraw/zinc/42/77/87/181427787.db2.gz LVFDYCUDJUTCJB-UWVGGRQHSA-N 1 0 212.293 0.363 10 0 BCAERO CCC[N@@H+]1CCC[C@H]([C@H](C)S(N)(=O)=O)C1 ZINC000257364356 541480972 /nfs/dbraw/zinc/48/09/72/541480972.db2.gz PIRARRJSVJGVAW-UWVGGRQHSA-N 1 0 234.365 0.785 10 0 BCAERO c1nnn([C@@H]2CC[NH2+]C2)c1-c1cncnc1 ZINC000685951976 541497280 /nfs/dbraw/zinc/49/72/80/541497280.db2.gz NHDGTDWYKJIJHG-SECBINFHSA-N 1 0 216.248 0.270 10 0 BCAERO COCCn1cc([C@H]2OCC[C@@H]2[NH3+])cn1 ZINC000383812645 541514372 /nfs/dbraw/zinc/51/43/72/541514372.db2.gz BMUGRYHDPWZUMF-VHSXEESVSA-N 1 0 211.265 0.318 10 0 BCAERO C[C@@H]([NH3+])CCNC(=O)[C@@H]1CC12CCOCC2 ZINC000579711189 366988415 /nfs/dbraw/zinc/98/84/15/366988415.db2.gz HYNJAVRXECHYHB-ZJUUUORDSA-N 1 0 226.320 0.657 10 0 BCAERO Cn1ccc(CC(=O)N2CC[C@H]([NH+](C)C)C2)n1 ZINC000183398024 367021283 /nfs/dbraw/zinc/02/12/83/367021283.db2.gz NQTNZIVFXXMXEG-NSHDSACASA-N 1 0 236.319 0.125 10 0 BCAERO CC[N@H+](C)C[C@@H](O)CN1[C@H](C)COC[C@@H]1C ZINC000579910654 367072861 /nfs/dbraw/zinc/07/28/61/367072861.db2.gz PLPOBUBFALKGBU-GRYCIOLGSA-N 1 0 230.352 0.408 10 0 BCAERO C[C@@H]1[C@H](C)OCCN1C(=O)[C@@]1(C)CCC[NH2+]1 ZINC000380536510 367230964 /nfs/dbraw/zinc/23/09/64/367230964.db2.gz OXKOUBJMAMFALA-JFGNBEQYSA-N 1 0 226.320 0.764 10 0 BCAERO COC(=O)c1cncc(N[C@H](C)[C@H](C)[NH3+])n1 ZINC000381534016 367425864 /nfs/dbraw/zinc/42/58/64/367425864.db2.gz BJYPGLSGWPLMDF-NKWVEPMBSA-N 1 0 224.264 0.411 10 0 BCAERO CC(C)(O)C[NH2+]CCNC(=O)c1ccco1 ZINC000381532345 367425910 /nfs/dbraw/zinc/42/59/10/367425910.db2.gz ZRTSGIJYFMVQSK-UHFFFAOYSA-N 1 0 226.276 0.370 10 0 BCAERO C[C@@H](Nc1ccc(C(=O)N(C)C)cn1)[C@H](C)[NH3+] ZINC000381342576 367383874 /nfs/dbraw/zinc/38/38/74/367383874.db2.gz FPYVIPPZAHILJK-DTWKUNHWSA-N 1 0 236.319 0.931 10 0 BCAERO C[C@@H]([NH3+])[C@H](C)Nc1ccc(C(=O)N(C)C)cn1 ZINC000381342575 367384376 /nfs/dbraw/zinc/38/43/76/367384376.db2.gz FPYVIPPZAHILJK-BDAKNGLRSA-N 1 0 236.319 0.931 10 0 BCAERO CCCn1ncnc1CN1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000381412922 367398342 /nfs/dbraw/zinc/39/83/42/367398342.db2.gz ZAWHXYUSRWNEIE-SRVKXCTJSA-N 1 0 249.362 0.857 10 0 BCAERO O=C1NC[C@H](C[NH2+][C@@H]2CCC[C@@H]2CCO)O1 ZINC000381533743 367425451 /nfs/dbraw/zinc/42/54/51/367425451.db2.gz DJMUOHJPDPHNAB-KXUCPTDWSA-N 1 0 228.292 0.236 10 0 BCAERO CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@@H]1C[C@H]1CO ZINC000382013924 367478635 /nfs/dbraw/zinc/47/86/35/367478635.db2.gz NNNKPRPXRYCQNF-KXUCPTDWSA-N 1 0 228.336 0.650 10 0 BCAERO [NH3+]C[C@@H]1CC[C@@H](Nc2ncnc3nc[nH]c32)C1 ZINC000382453989 367526243 /nfs/dbraw/zinc/52/62/43/367526243.db2.gz HRGASESULLXRFA-HTQZYQBOSA-N 1 0 232.291 0.892 10 0 BCAERO CC(=O)CC(=O)N[C@@H]1C[NH+]2CCC1CC2 ZINC000037790602 367524386 /nfs/dbraw/zinc/52/43/86/367524386.db2.gz GFHJORSYHOKVSP-SNVBAGLBSA-N 1 0 210.277 0.176 10 0 BCAERO Cc1nnc(N2C[C@@H](C)[C@](C)(C[NH3+])C2)nc1C ZINC000383391870 367619507 /nfs/dbraw/zinc/61/95/07/367619507.db2.gz KNFIXBIYQBJRHZ-PRHODGIISA-N 1 0 235.335 0.910 10 0 BCAERO COC(=O)CC[N@@H+]1CCC[C@H](O)[C@@H]1C ZINC000384735231 367723712 /nfs/dbraw/zinc/72/37/12/367723712.db2.gz KPZQGUSMVGKCEQ-IUCAKERBSA-N 1 0 201.266 0.395 10 0 BCAERO C[C@@H]1[C@@H](O)CCCN1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000384882150 367750968 /nfs/dbraw/zinc/75/09/68/367750968.db2.gz ISOWRDBCPQYHAY-WXHSDQCUSA-N 1 0 242.363 0.287 10 0 BCAERO [NH3+]C[C@@H]1CCCN1C(=O)C1[C@@H]2CCC[C@H]12 ZINC000226279448 181429088 /nfs/dbraw/zinc/42/90/88/181429088.db2.gz FCQAVULXACIZNP-GKDVJIACSA-N 1 0 208.305 0.982 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@@H]1N1C(=O)CCCC1=O ZINC000035676862 181430742 /nfs/dbraw/zinc/43/07/42/181430742.db2.gz OXUAHCZDNPCMPO-IUCAKERBSA-N 1 0 210.277 0.653 10 0 BCAERO CN(c1ccnc(C(N)=O)c1)C1CC([NH3+])C1 ZINC000384977388 367768861 /nfs/dbraw/zinc/76/88/61/367768861.db2.gz YTTPZINLJRGEJA-UHFFFAOYSA-N 1 0 220.276 0.106 10 0 BCAERO CC(C)NC(=O)CC[N@@H+]1CCC[C@@H](O)[C@@H]1C ZINC000385070820 367783170 /nfs/dbraw/zinc/78/31/70/367783170.db2.gz VRNQWBCLZONWMF-WDEREUQCSA-N 1 0 228.336 0.746 10 0 BCAERO Cc1cc2c(N3CC[C@@H]4C[NH2+]C[C@@H]43)nccn2n1 ZINC000385388432 367825371 /nfs/dbraw/zinc/82/53/71/367825371.db2.gz ROMQXWSVPKIGDR-PWSUYJOCSA-N 1 0 243.314 0.836 10 0 BCAERO OC[C@@H](N[C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC000386280562 367945134 /nfs/dbraw/zinc/94/51/34/367945134.db2.gz QWAHYABEWRMALP-VXGBXAGGSA-N 1 0 212.337 0.879 10 0 BCAERO Cn1nccc1CNC[C@@H]1CCC[NH2+]C1 ZINC000087647201 367948031 /nfs/dbraw/zinc/94/80/31/367948031.db2.gz GROZYHISTFZKMJ-SNVBAGLBSA-N 1 0 208.309 0.509 10 0 BCAERO C[NH2+][C@H](C)C(=O)NC[C@@H]1CCCS1 ZINC000087668592 367966196 /nfs/dbraw/zinc/96/61/96/367966196.db2.gz SUJLATQVGSIHQU-SFYZADRCSA-N 1 0 202.323 0.606 10 0 BCAERO CO[C@H]1C[NH2+][C@@H](C(=O)NC[C@@H]2CCCS2)C1 ZINC000087668580 367966208 /nfs/dbraw/zinc/96/62/08/367966208.db2.gz JMGJICNPJNXSQE-KXUCPTDWSA-N 1 0 244.360 0.375 10 0 BCAERO Cc1cnc(N2C[C@@H](C)[C@@H]([NH3+])C2)nc1C ZINC000386476025 367979241 /nfs/dbraw/zinc/97/92/41/367979241.db2.gz PQKGIFHLJDUTSI-SCZZXKLOSA-N 1 0 206.293 0.877 10 0 BCAERO C[C@H](CO)[N@H+](C)[C@H]1CCCCC[C@@H]1O ZINC000252806138 368159534 /nfs/dbraw/zinc/15/95/34/368159534.db2.gz GREDTCPIRZYZEC-VWYCJHECSA-N 1 0 201.310 0.993 10 0 BCAERO C[C@@H]1CC[N@H+](C[C@@](C)(N)CO)C[C@H]1C ZINC000253073742 368471503 /nfs/dbraw/zinc/47/15/03/368471503.db2.gz PBIMLCYRWDVJTK-GMTAPVOTSA-N 1 0 200.326 0.674 10 0 BCAERO CC[C@H]([NH3+])C(=O)N[C@H]1CC[C@H](O)CC1 ZINC000253140602 368542085 /nfs/dbraw/zinc/54/20/85/368542085.db2.gz WQHAWBHLCOKBHK-CIUDSAMLSA-N 1 0 200.282 0.143 10 0 BCAERO C[C@H]1C[N@H+](CCC(N)=S)CC[C@H]1O ZINC000253196892 368613265 /nfs/dbraw/zinc/61/32/65/368613265.db2.gz RMMVVRSWKORWLD-JGVFFNPUSA-N 1 0 202.323 0.365 10 0 BCAERO COCCCCNC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000082559930 368693983 /nfs/dbraw/zinc/69/39/83/368693983.db2.gz OIFCWTKWMSFQLA-NXEZZACHSA-N 1 0 214.309 0.385 10 0 BCAERO NC(=O)[C@]1([NH3+])CCC[C@@H](C(F)(F)F)C1 ZINC000069384740 370924708 /nfs/dbraw/zinc/92/47/08/370924708.db2.gz CBLUKYPJMBDPBL-VDTYLAMSSA-N 1 0 210.199 0.922 10 0 BCAERO O=C(NCCN1CC=CCC1)[C@H]1CCC[NH2+]1 ZINC000083887485 368834558 /nfs/dbraw/zinc/83/45/58/368834558.db2.gz ZJAQZJOHFWHBIZ-LLVKDONJSA-N 1 0 223.320 0.117 10 0 BCAERO CC[NH2+][C@H]1CN(C(=O)OC)CCC1=O ZINC000584880522 368858489 /nfs/dbraw/zinc/85/84/89/368858489.db2.gz FHLXPJKEHQLPGL-ZETCQYMHSA-N 1 0 200.238 0.006 10 0 BCAERO Cc1cc(NC(=O)[C@H]2CC[C@@H]([NH3+])C2)n[nH]1 ZINC000085013282 368862146 /nfs/dbraw/zinc/86/21/46/368862146.db2.gz NLFFDNITALEPPD-JGVFFNPUSA-N 1 0 208.265 0.784 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)N2CCC[NH2+]CC2)O1 ZINC000088140200 368905352 /nfs/dbraw/zinc/90/53/52/368905352.db2.gz QDAQPDYCTPYSMB-NXEZZACHSA-N 1 0 212.293 0.376 10 0 BCAERO COC(=O)[C@@H]1CCCN1C[C@@H]1CCC[N@@H+]1C ZINC000387501150 368907101 /nfs/dbraw/zinc/90/71/01/368907101.db2.gz XQYBMVKCBOQNAO-QWRGUYRKSA-N 1 0 226.320 0.718 10 0 BCAERO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)c1nnc[nH]1 ZINC000084213177 368851233 /nfs/dbraw/zinc/85/12/33/368851233.db2.gz KUVFOGRMCZGMBV-YUMQZZPRSA-N 1 0 223.280 0.052 10 0 BCAERO C[C@@H](CC(N)=O)[NH2+][C@H](CO)C1CCCCC1 ZINC000309719291 326164808 /nfs/dbraw/zinc/16/48/08/326164808.db2.gz BHJOGVVXIMYUAZ-GXSJLCMTSA-N 1 0 228.336 0.781 10 0 BCAERO [NH3+][C@@H]1CC[C@H](C(=O)NCCc2ccncc2)C1 ZINC000091548170 369013783 /nfs/dbraw/zinc/01/37/83/369013783.db2.gz YNXVGHAZNHQRGM-NWDGAFQWSA-N 1 0 233.315 0.868 10 0 BCAERO COC[C@]1(CC(=O)N(C)C)CCC[NH2+]1 ZINC000616590678 369099509 /nfs/dbraw/zinc/09/95/09/369099509.db2.gz JNPOVBHWBANXLI-SNVBAGLBSA-N 1 0 200.282 0.233 10 0 BCAERO C[NH2+][C@H](C)C(=O)N1C[C@@H](C)OC[C@@H]1C ZINC000054072281 369054451 /nfs/dbraw/zinc/05/44/51/369054451.db2.gz CAYCFDGBOKLZNT-DJLDLDEBSA-N 1 0 200.282 0.230 10 0 BCAERO [NH3+]C[C@H](CCO)c1ccc2c(c1)OCCO2 ZINC000041242068 181443414 /nfs/dbraw/zinc/44/34/14/181443414.db2.gz YZARXCVQWZSXIC-JTQLQIEISA-N 1 0 223.272 0.883 10 0 BCAERO C[NH2+][C@H](C)C(=O)N1CC[C@@H]2OCC[C@@H]2C1 ZINC000567406424 326184484 /nfs/dbraw/zinc/18/44/84/326184484.db2.gz JFQSHMZXNLDZNU-BBBLOLIVSA-N 1 0 212.293 0.232 10 0 BCAERO [NH3+]C[C@H](C1CCC1)[C@H]1CCS(=O)(=O)C1 ZINC000161492420 369121755 /nfs/dbraw/zinc/12/17/55/369121755.db2.gz OQDKCWYFPKLUKN-VHSXEESVSA-N 1 0 217.334 0.796 10 0 BCAERO [NH3+]C[C@@H](C1CCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000161492291 369122488 /nfs/dbraw/zinc/12/24/88/369122488.db2.gz OQDKCWYFPKLUKN-ZJUUUORDSA-N 1 0 217.334 0.796 10 0 BCAERO NC(=O)C1CCN([C@H](C[NH3+])c2ccccc2)CC1 ZINC000042899148 181454619 /nfs/dbraw/zinc/45/46/19/181454619.db2.gz BTYYAIBWXSITLP-CYBMUJFWSA-N 1 0 247.342 0.884 10 0 BCAERO [NH3+]C[C@H](c1ccncc1)N1CCC(O)CC1 ZINC000043352979 181456002 /nfs/dbraw/zinc/45/60/02/181456002.db2.gz OVBDCZBKIAHKJP-GFCCVEGCSA-N 1 0 221.304 0.538 10 0 BCAERO Nc1ccccc1[C@@H]1CN(CC[NH3+])CCCO1 ZINC000616680137 369110936 /nfs/dbraw/zinc/11/09/36/369110936.db2.gz NRXHNLAOXSVLTP-ZDUSSCGKSA-N 1 0 235.331 0.991 10 0 BCAERO [NH3+]CCN1CCCO[C@H](c2cccnc2)C1 ZINC000616681762 369111386 /nfs/dbraw/zinc/11/13/86/369111386.db2.gz VQTLPKIUGSYRPE-LBPRGKRZSA-N 1 0 221.304 0.804 10 0 BCAERO [NH3+]CCN1CCc2ccccc2[C@@H]1c1cnno1 ZINC000616690965 369113163 /nfs/dbraw/zinc/11/31/63/369113163.db2.gz ABBDJIGRXKNEMJ-CYBMUJFWSA-N 1 0 244.298 0.976 10 0 BCAERO [NH3+]C[C@H](O)Cc1nc2cnccc2s1 ZINC000076165854 181450481 /nfs/dbraw/zinc/45/04/81/181450481.db2.gz JKOIPEBDEILCMN-ZCFIWIBFSA-N 1 0 209.274 0.553 10 0 BCAERO CCN1CCO[C@H](CNCc2ncc[nH]2)C1 ZINC000123030442 369148578 /nfs/dbraw/zinc/14/85/78/369148578.db2.gz QECWKPMCABALRW-SNVBAGLBSA-N 1 0 224.308 0.220 10 0 BCAERO NS(=O)(=O)c1ccc(OC2CC2)cc1C[NH3+] ZINC000095737699 181477224 /nfs/dbraw/zinc/47/72/24/181477224.db2.gz XVSGYEJIBJYAQQ-UHFFFAOYSA-N 1 0 242.300 0.334 10 0 BCAERO CCS(=O)(=O)N1CC[NH2+][C@H](C)CC1 ZINC000106886992 369214025 /nfs/dbraw/zinc/21/40/25/369214025.db2.gz KVGGRFGDZXHQAV-MRVPVSSYSA-N 1 0 206.311 0.020 10 0 BCAERO Cc1nc(C[NH2+][C@H]2CCOC[C@H]2O)[nH]c1C ZINC000623767360 369389189 /nfs/dbraw/zinc/38/91/89/369389189.db2.gz UPOMPPXUSPUOEB-VHSXEESVSA-N 1 0 225.292 0.266 10 0 BCAERO C=Cn1cc(C[NH2+][C@H]2CCOC[C@@H]2O)cn1 ZINC000623767534 369396508 /nfs/dbraw/zinc/39/65/08/369396508.db2.gz XPLSPGHKIMIYMZ-QWRGUYRKSA-N 1 0 223.276 0.223 10 0 BCAERO C=Cn1cc(C[NH2+][C@H]2CCOC[C@H]2O)cn1 ZINC000623767535 369397469 /nfs/dbraw/zinc/39/74/69/369397469.db2.gz XPLSPGHKIMIYMZ-WDEREUQCSA-N 1 0 223.276 0.223 10 0 BCAERO O=C(c1ccc[nH]1)N1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC000404045890 369417156 /nfs/dbraw/zinc/41/71/56/369417156.db2.gz IUHIGIYYEFWKGH-MNOVXSKESA-N 1 0 235.287 0.218 10 0 BCAERO CC(C)(C)C(=O)N1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC000403997801 369417597 /nfs/dbraw/zinc/41/75/97/369417597.db2.gz GVFMXPCNIJHYKI-UWVGGRQHSA-N 1 0 226.320 0.622 10 0 BCAERO CC(C)OCC(=O)N1CC[C@H]2OCC[NH2+][C@@H]2C1 ZINC000404023045 369417745 /nfs/dbraw/zinc/41/77/45/369417745.db2.gz UISRRXQZKROQBR-GHMZBOCLSA-N 1 0 242.319 0.001 10 0 BCAERO O=C(C1CCC1)N1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC000404089614 369418465 /nfs/dbraw/zinc/41/84/65/369418465.db2.gz VWUAGWGKAQLNOG-MNOVXSKESA-N 1 0 224.304 0.376 10 0 BCAERO Cc1cc(CN2CC[C@@H]3OCC[NH2+][C@@H]3C2)no1 ZINC000404201946 369422270 /nfs/dbraw/zinc/42/22/70/369422270.db2.gz QCKFUDPQIDGHJD-NEPJUHHUSA-N 1 0 237.303 0.546 10 0 BCAERO COCCCC[N@@H+]1CC[C@@H]2OCCN[C@H]2C1 ZINC000404179470 369422894 /nfs/dbraw/zinc/42/28/94/369422894.db2.gz BNNJRQQLRYGIAC-RYUDHWBXSA-N 1 0 228.336 0.476 10 0 BCAERO CCn1c(C)nnc1CN1C[C@H]([NH3+])C[C@H]1C ZINC000631860408 369468193 /nfs/dbraw/zinc/46/81/93/369468193.db2.gz KDHBHVPBAUFDPI-PSASIEDQSA-N 1 0 223.324 0.528 10 0 BCAERO Cc1ccc(CN2CC[C@H]3OCC[NH2+][C@@H]3C2)cn1 ZINC000405736205 369474661 /nfs/dbraw/zinc/47/46/61/369474661.db2.gz YREXMIWTFVWEPH-ZIAGYGMSSA-N 1 0 247.342 0.953 10 0 BCAERO COC(=O)[C@@H]1CCCN(C(=O)C(C)(C)[NH3+])C1 ZINC000082257194 370976242 /nfs/dbraw/zinc/97/62/42/370976242.db2.gz QCHJYAVSDZIUCT-MRVPVSSYSA-N 1 0 228.292 0.135 10 0 BCAERO CC(C)n1nnnc1CN1C[C@H]([NH3+])C[C@H]1C ZINC000631862213 369486551 /nfs/dbraw/zinc/48/65/51/369486551.db2.gz NDXJHWCOEBOHDJ-RKDXNWHRSA-N 1 0 224.312 0.176 10 0 BCAERO [NH3+]Cc1cccc(CN2CCC(=O)CC2=O)c1 ZINC000299888918 181488342 /nfs/dbraw/zinc/48/83/42/181488342.db2.gz AMWQNRNPHUPLAI-UHFFFAOYSA-N 1 0 232.283 0.837 10 0 BCAERO COc1c(CN[C@@H](C)C[NH+](C)C)c(C)nn1C ZINC000158348380 326316113 /nfs/dbraw/zinc/31/61/13/326316113.db2.gz PKNDOMZYOJWTMO-VIFPVBQESA-N 1 0 240.351 0.777 10 0 BCAERO CCOC(=O)CN1CC[C@@H]([NH+](C)C)C1 ZINC000062966215 370114654 /nfs/dbraw/zinc/11/46/54/370114654.db2.gz XFKLWMTWLLHFDJ-SECBINFHSA-N 1 0 200.282 0.185 10 0 BCAERO Cc1cc(C[NH2+][C@@H]2CCOC[C@H]2O)ccn1 ZINC000623768362 370255798 /nfs/dbraw/zinc/25/57/98/370255798.db2.gz SZJHTZBQDVCBRL-VXGBXAGGSA-N 1 0 222.288 0.629 10 0 BCAERO O[C@@H]1COCC[C@@H]1[NH2+]Cc1ccncc1Cl ZINC000623768386 370256791 /nfs/dbraw/zinc/25/67/91/370256791.db2.gz USIXYPUZEYPLFZ-WDEREUQCSA-N 1 0 242.706 0.974 10 0 BCAERO O=C(NCC[C@@H]1CC1(F)F)[C@H]1C[C@H](F)C[NH2+]1 ZINC000621671004 370422150 /nfs/dbraw/zinc/42/21/50/370422150.db2.gz FLCBJTCXMJKIDJ-GJMOJQLCSA-N 1 0 236.237 0.848 10 0 BCAERO [NH3+]Cc1nc2cc3c(cc2[nH]1)OCCO3 ZINC000019752712 181501494 /nfs/dbraw/zinc/50/14/94/181501494.db2.gz APZLTWLKEBFXCK-UHFFFAOYSA-N 1 0 205.217 0.793 10 0 BCAERO CCN1CCO[C@H](C[NH2+]Cc2cnn(C)c2)C1 ZINC000113266875 370396911 /nfs/dbraw/zinc/39/69/11/370396911.db2.gz GAVQFMFMDUHQDU-GFCCVEGCSA-N 1 0 238.335 0.230 10 0 BCAERO OC[C@H](c1cncs1)N1CC[NH2+]CC1 ZINC000161591722 370540408 /nfs/dbraw/zinc/54/04/08/370540408.db2.gz NBQSIMVLFUYLBC-MRVPVSSYSA-N 1 0 213.306 0.082 10 0 BCAERO CC(C)([NH3+])c1ccc(S(N)(=O)=O)cc1 ZINC000215311720 370527467 /nfs/dbraw/zinc/52/74/67/370527467.db2.gz JYOKONAGOLKUAK-UHFFFAOYSA-N 1 0 214.290 0.528 10 0 BCAERO CC1=[N+]([O-])[C@@]2(O)CCCC[C@@]2(C)[N+](O)=C1C ZINC000225411523 370579177 /nfs/dbraw/zinc/57/91/77/370579177.db2.gz BBKQRDJUJHSECM-GHMZBOCLSA-N 1 0 228.292 0.747 10 0 BCAERO CC1CC(C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000569069585 326388473 /nfs/dbraw/zinc/38/84/73/326388473.db2.gz DPGAXSRCDQWYQG-DJRKXVOMSA-N 1 0 208.305 0.853 10 0 BCAERO COC[C@@H](C)[NH2+][C@@H]1CCc2nnc(C)n2C1 ZINC000390410492 371199848 /nfs/dbraw/zinc/19/98/48/371199848.db2.gz DRFDZPIEIVYCST-PSASIEDQSA-N 1 0 224.308 0.526 10 0 BCAERO [NH3+][C@@H](Cc1ccccc1)C(=O)N[C@H]1CCCOC1 ZINC000103960418 181557316 /nfs/dbraw/zinc/55/73/16/181557316.db2.gz JGQCTZFVZOSWGQ-STQMWFEESA-N 1 0 248.326 0.852 10 0 BCAERO Cc1nnc2n1C[C@H]([NH2+]CC(C)(C)O)CC2 ZINC000390590183 371218628 /nfs/dbraw/zinc/21/86/28/371218628.db2.gz ZDQNGSHNJODELP-SECBINFHSA-N 1 0 224.308 0.262 10 0 BCAERO C[C@H]([NH3+])CCNc1ccc(C(=O)N(C)C)cn1 ZINC000095013060 371242037 /nfs/dbraw/zinc/24/20/37/371242037.db2.gz WFKPVZPWSFMMKJ-VIFPVBQESA-N 1 0 236.319 0.933 10 0 BCAERO [NH3+][C@@H]1CCC[C@H](C(=O)N[C@H]2CCCC[C@@H]2O)C1 ZINC000227322223 181583946 /nfs/dbraw/zinc/58/39/46/181583946.db2.gz AAIRHZPDFCORJV-USZNOCQGSA-N 1 0 240.347 0.924 10 0 BCAERO [NH3+][C@@H]1CCC[C@H]1C(=O)NC[C@H]1CCCCO1 ZINC000250847173 181584612 /nfs/dbraw/zinc/58/46/12/181584612.db2.gz NJXSPIBHPZNBGZ-GMTAPVOTSA-N 1 0 226.320 0.799 10 0 BCAERO [NH3+][C@@H]1C[C@@H]1NS(=O)(=O)/C=C/c1ccccc1 ZINC000036264682 181597603 /nfs/dbraw/zinc/59/76/03/181597603.db2.gz VOIFAMGPQQRNDK-JNQBIPAQSA-N 1 0 238.312 0.676 10 0 BCAERO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C[C@H]3CCCO3)C[C@H]12 ZINC000248699165 181592375 /nfs/dbraw/zinc/59/23/75/181592375.db2.gz ZHUFQEMDPKSTJI-WISYIIOYSA-N 1 0 238.331 0.751 10 0 BCAERO [NH3+][C@H]1CCCC[C@H]1NC(=O)CCn1ccnn1 ZINC000038048584 181642341 /nfs/dbraw/zinc/64/23/41/181642341.db2.gz KOMJBCAQRLZOOM-VHSXEESVSA-N 1 0 237.307 0.054 10 0 BCAERO [NH3+][C@H]1CCC[C@@H](C(=O)NCc2cn[nH]c2)C1 ZINC000070502842 181645535 /nfs/dbraw/zinc/64/55/35/181645535.db2.gz OJXJSQLHHMLFMW-ZJUUUORDSA-N 1 0 222.292 0.543 10 0 BCAERO [NH3+][C@H]1CCN(Cc2nc(-c3ccncc3)no2)C1 ZINC000045895163 181651509 /nfs/dbraw/zinc/65/15/09/181651509.db2.gz BVXGWVCJYJCVSR-JTQLQIEISA-N 1 0 245.286 0.665 10 0 BCAERO [NH3+][C@H]1C[C@H]1NS(=O)(=O)c1cccs1 ZINC000036264819 181660064 /nfs/dbraw/zinc/66/00/64/181660064.db2.gz VTKUWGAJUWRRMH-NTSWFWBYSA-N 1 0 218.303 0.126 10 0 BCAERO C[C@H]([NH2+][C@H]1CCOC[C@H]1O)c1nccs1 ZINC000624236554 371421478 /nfs/dbraw/zinc/42/14/78/371421478.db2.gz FJQYZULZLYYBST-XHNCKOQMSA-N 1 0 228.317 0.944 10 0 BCAERO COC[C@H]([NH2+][C@@H]1CCOC[C@@H]1O)C(C)C ZINC000624236530 371423379 /nfs/dbraw/zinc/42/33/79/371423379.db2.gz DYVSFMUJAPCTDK-VWYCJHECSA-N 1 0 217.309 0.397 10 0 BCAERO CC[C@H](COC)[NH2+][C@@H]1CCOC[C@@H]1O ZINC000624237470 371424705 /nfs/dbraw/zinc/42/47/05/371424705.db2.gz YKBNOESQBVAJKP-BBBLOLIVSA-N 1 0 203.282 0.151 10 0 BCAERO C[C@H]([NH2+][C@@H]1CCOC[C@@H]1O)c1cccnc1 ZINC000624237194 371424734 /nfs/dbraw/zinc/42/47/34/371424734.db2.gz RKLPBSPYWYVGQP-WCQGTBRESA-N 1 0 222.288 0.882 10 0 BCAERO CCOC[C@H](C)[NH2+][C@@H]1CCOC[C@@H]1O ZINC000624237391 371425078 /nfs/dbraw/zinc/42/50/78/371425078.db2.gz WKYNDLYCADJAFM-AEJSXWLSSA-N 1 0 203.282 0.151 10 0 BCAERO COCCC[C@H](C)[NH2+][C@@H]1CCOC[C@@H]1O ZINC000624237114 371425145 /nfs/dbraw/zinc/42/51/45/371425145.db2.gz PXMICHLPEZKRCJ-AXFHLTTASA-N 1 0 217.309 0.541 10 0 BCAERO C[C@H]([NH2+][C@@H]1CCOC[C@@H]1O)[C@H]1CCCO1 ZINC000624238051 371426355 /nfs/dbraw/zinc/42/63/55/371426355.db2.gz JEIBGAFYXYZKHD-ZRUFSTJUSA-N 1 0 215.293 0.293 10 0 BCAERO O=C(C[C@H]1CCC[NH2+]C1)NCc1ccc(=O)[nH]c1 ZINC000392670848 371434458 /nfs/dbraw/zinc/43/44/58/371434458.db2.gz MDCDOIHVLFNYKT-SNVBAGLBSA-N 1 0 249.314 0.793 10 0 BCAERO Nc1cnc(OCC[NH+]2CCCCC2)nc1 ZINC000040456167 181768803 /nfs/dbraw/zinc/76/88/03/181768803.db2.gz DCQHCOPLLHKYCC-UHFFFAOYSA-N 1 0 222.292 0.924 10 0 BCAERO CNC(=O)CCC[N@@H+]1CCC[C@@H](C(=O)OC)C1 ZINC000157164254 371530691 /nfs/dbraw/zinc/53/06/91/371530691.db2.gz OCQQYRWQPWUUJV-SNVBAGLBSA-N 1 0 242.319 0.398 10 0 BCAERO CN(C(=O)c1ccn(C)n1)[C@@H]1CCC[NH2+]CC1 ZINC000226456155 371671021 /nfs/dbraw/zinc/67/10/21/371671021.db2.gz FILSKUYYPONTMD-SNVBAGLBSA-N 1 0 236.319 0.634 10 0 BCAERO Cn1ccc(CC(=O)[C@@H]2CCC[C@@H]2[NH3+])n1 ZINC000226484048 371676978 /nfs/dbraw/zinc/67/69/78/371676978.db2.gz SFHMCEWLJNZJEI-ZJUUUORDSA-N 1 0 207.277 0.659 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)Cc1ccn(C)n1 ZINC000226375610 371656124 /nfs/dbraw/zinc/65/61/24/371656124.db2.gz SBIOLUAGXGMGFN-PSASIEDQSA-N 1 0 207.277 0.387 10 0 BCAERO C[C@@H]1C[NH2+]C[C@@H]1C(=O)Cc1ccn(C)n1 ZINC000226375600 371656639 /nfs/dbraw/zinc/65/66/39/371656639.db2.gz SBIOLUAGXGMGFN-SCZZXKLOSA-N 1 0 207.277 0.387 10 0 BCAERO Cn1ccc(CC(=O)[C@@H]2CC[C@@H]([NH3+])C2)n1 ZINC000226600213 371704726 /nfs/dbraw/zinc/70/47/26/371704726.db2.gz RMTRBVVMZIAMHK-RKDXNWHRSA-N 1 0 207.277 0.659 10 0 BCAERO Cn1ccc(CC(=O)[C@@H]2CC[C@H]([NH3+])C2)n1 ZINC000226600228 371705191 /nfs/dbraw/zinc/70/51/91/371705191.db2.gz RMTRBVVMZIAMHK-BDAKNGLRSA-N 1 0 207.277 0.659 10 0 BCAERO [NH3+][C@H]1COC[C@H]1C(=O)Cc1ccccn1 ZINC000226614032 371706029 /nfs/dbraw/zinc/70/60/29/371706029.db2.gz VLDJRLDEXVJGHJ-ZJUUUORDSA-N 1 0 206.245 0.167 10 0 BCAERO CCn1nccc1C(=O)[C@@H]1COC[C@H]1[NH3+] ZINC000226608110 371706702 /nfs/dbraw/zinc/70/67/02/371706702.db2.gz IQAXPWBXVLTVGQ-HTQZYQBOSA-N 1 0 209.249 0.059 10 0 BCAERO CCn1nccc1C(=O)[C@H]1COC[C@H]1[NH3+] ZINC000226608116 371706923 /nfs/dbraw/zinc/70/69/23/371706923.db2.gz IQAXPWBXVLTVGQ-JGVFFNPUSA-N 1 0 209.249 0.059 10 0 BCAERO O=C(C[C@@H]1C[NH2+]CCO1)c1cccnc1 ZINC000226584555 371702352 /nfs/dbraw/zinc/70/23/52/371702352.db2.gz WPFUFYBFDAHBIA-SNVBAGLBSA-N 1 0 206.245 0.643 10 0 BCAERO C[C@@H]1CC[NH2+][C@H]1C(=O)NCC(F)(F)F ZINC000226896694 371755723 /nfs/dbraw/zinc/75/57/23/371755723.db2.gz LMXKPLPRIFJISW-PHDIDXHHSA-N 1 0 210.199 0.663 10 0 BCAERO [NH3+]CC1(C2(O)CCC3(CC2)OCCO3)CC1 ZINC000304364997 371783614 /nfs/dbraw/zinc/78/36/14/371783614.db2.gz SXYWCELUKIOYFV-UHFFFAOYSA-N 1 0 227.304 0.774 10 0 BCAERO OC1([C@H]2C=CC[NH2+]2)CCC2(CC1)OCCO2 ZINC000304389616 371785920 /nfs/dbraw/zinc/78/59/20/371785920.db2.gz LABFIBPIDZVDKS-SNVBAGLBSA-N 1 0 225.288 0.563 10 0 BCAERO Cc1nc(Br)cc(NN)[nH+]1 ZINC000162766259 371844220 /nfs/dbraw/zinc/84/42/20/371844220.db2.gz GOODLSTVFUZDFK-UHFFFAOYSA-N 1 0 203.043 0.833 10 0 BCAERO O[C@H]1COC[C@@H]1[NH2+]C1CCSCC1 ZINC000162969065 371898345 /nfs/dbraw/zinc/89/83/45/371898345.db2.gz UUXYPFIEJMIATB-IUCAKERBSA-N 1 0 203.307 0.231 10 0 BCAERO C[C@H](C[NH3+])N[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000227585121 371899988 /nfs/dbraw/zinc/89/99/88/371899988.db2.gz RYKBUFAFXWVOBT-ZJUUUORDSA-N 1 0 243.351 0.933 10 0 BCAERO C[C@@H](Cc1ccsc1)N1C[C@@H]([NH3+])C1=O ZINC000227622829 371907871 /nfs/dbraw/zinc/90/78/71/371907871.db2.gz GEGPBRWHSHGFFH-IONNQARKSA-N 1 0 210.302 0.849 10 0 BCAERO C[C@@]1(CN2C[C@H]([NH3+])C2=O)CCCS1 ZINC000227628052 371910372 /nfs/dbraw/zinc/91/03/72/371910372.db2.gz YQXCUKUWYKUJHI-CBAPKCEASA-N 1 0 200.307 0.442 10 0 BCAERO CCCS(=O)(=O)N1C[C@H](C)C[C@@H]([NH3+])C1 ZINC000227683090 371920530 /nfs/dbraw/zinc/92/05/30/371920530.db2.gz MKGPIPQFKSLUBX-RKDXNWHRSA-N 1 0 220.338 0.395 10 0 BCAERO CC[N@@H+]1CCCN(C(N)=S)[C@H](C)C1 ZINC000306372453 372015657 /nfs/dbraw/zinc/01/56/57/372015657.db2.gz NAIRIFDTQXIGQW-MRVPVSSYSA-N 1 0 201.339 0.646 10 0 BCAERO Cn1nnc(Br)c1[C@@H]1C[C@@H]1C[NH3+] ZINC000306387736 372015819 /nfs/dbraw/zinc/01/58/19/372015819.db2.gz ODOCXGDNRSDDIT-RFZPGFLSSA-N 1 0 231.097 0.640 10 0 BCAERO C[NH2+]C1CCN(C(=O)C(F)(F)F)CC1 ZINC000306724569 372061373 /nfs/dbraw/zinc/06/13/73/372061373.db2.gz IXGXCLLXWVMDGY-UHFFFAOYSA-N 1 0 210.199 0.759 10 0 BCAERO CN[C@]1(CC(N)=O)CC[N@@H+]2CCCC[C@H]21 ZINC000228275230 372010523 /nfs/dbraw/zinc/01/05/23/372010523.db2.gz YLXQMVJYASFSSG-ONGXEEELSA-N 1 0 211.309 0.078 10 0 BCAERO C[C@]1(C[NH3+])CCN(C(=O)C(F)(F)F)C1 ZINC000306348391 372012614 /nfs/dbraw/zinc/01/26/14/372012614.db2.gz HFBIBJFGAHAZJO-SSDOTTSWSA-N 1 0 210.199 0.746 10 0 BCAERO CC[C@@H](C[NH3+])N1CCCC2(C1)OCCO2 ZINC000133719648 372094970 /nfs/dbraw/zinc/09/49/70/372094970.db2.gz KTEOWLOKSRKDIB-JTQLQIEISA-N 1 0 214.309 0.563 10 0 BCAERO O=C1C[C@@H]([NH2+]C2CCSCC2)CN1 ZINC000228981983 372100519 /nfs/dbraw/zinc/10/05/19/372100519.db2.gz NBJYLIPANKZQKX-MRVPVSSYSA-N 1 0 200.307 0.360 10 0 BCAERO Cc1ccc(C[NH+](C)C)cc1S(N)(=O)=O ZINC000133936623 372136268 /nfs/dbraw/zinc/13/62/68/372136268.db2.gz CQVBLSXKUSSQII-UHFFFAOYSA-N 1 0 228.317 0.704 10 0 BCAERO [NH3+][C@@H]1CCN(C[C@@H]2CSCCS2)C1 ZINC000229613800 372173184 /nfs/dbraw/zinc/17/31/84/372173184.db2.gz ZSWFRZWHBHBUFC-RKDXNWHRSA-N 1 0 218.391 0.868 10 0 BCAERO C[NH2+]C1(C(=O)c2cccnc2N)CCC1 ZINC000307473957 372123492 /nfs/dbraw/zinc/12/34/92/372123492.db2.gz RZTVKLGXJZAYLZ-UHFFFAOYSA-N 1 0 205.261 0.989 10 0 BCAERO C[C@H](CNc1cccnc1N)[S@](C)=O ZINC000229715664 372184565 /nfs/dbraw/zinc/18/45/65/372184565.db2.gz DIOLVXCTVXTCMK-UOWDBTKRSA-N 1 0 213.306 0.843 10 0 BCAERO O=C(CC1CC[NH2+]CC1)NCc1cn[nH]c1 ZINC000038076052 181896045 /nfs/dbraw/zinc/89/60/45/181896045.db2.gz PUIZGNKIQQMSJW-UHFFFAOYSA-N 1 0 222.292 0.416 10 0 BCAERO O=C(CC[NH2+]C1CC1)N1CCC[C@@H](O)C1 ZINC000037654758 181919203 /nfs/dbraw/zinc/91/92/03/181919203.db2.gz SGKFXQBEPLMILP-SNVBAGLBSA-N 1 0 212.293 0.112 10 0 BCAERO Cc1nccnc1CN1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000631823727 372601730 /nfs/dbraw/zinc/60/17/30/372601730.db2.gz MNBIRPMPMLKKFQ-SDDRHHMPSA-N 1 0 232.331 0.954 10 0 BCAERO Cc1nccnc1CN1CCC[C@H]1C[NH3+] ZINC000631821860 372596795 /nfs/dbraw/zinc/59/67/95/372596795.db2.gz LHKBJKHUFOHALA-JTQLQIEISA-N 1 0 206.293 0.708 10 0 BCAERO C[C@@H]1CN(CC(=O)NCC2CC2)C[C@@H]1C[NH3+] ZINC000631837595 372629626 /nfs/dbraw/zinc/62/96/26/372629626.db2.gz DBNJILZRRVXBDG-KOLCDFICSA-N 1 0 225.336 0.039 10 0 BCAERO Cc1nnsc1CN1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631837549 372630336 /nfs/dbraw/zinc/63/03/36/372630336.db2.gz TWYJVNHXEAALCW-CBAPKCEASA-N 1 0 226.349 0.873 10 0 BCAERO C[C@H](CN1C[C@H](C)[C@@H](C[NH3+])C1)CS(C)(=O)=O ZINC000631840931 372638825 /nfs/dbraw/zinc/63/88/25/372638825.db2.gz WLJAPOPKXDLGOX-VWYCJHECSA-N 1 0 248.392 0.194 10 0 BCAERO CC(C)S(=O)(=O)CCCN1C[C@@H]([NH3+])C[C@H]1C ZINC000631861073 372661256 /nfs/dbraw/zinc/66/12/56/372661256.db2.gz VDCMZFRQPQJFOV-MNOVXSKESA-N 1 0 248.392 0.621 10 0 BCAERO CCN(CC)C(=O)N1C[C@H](C)[C@H](C[NH3+])C1 ZINC000631968073 372706776 /nfs/dbraw/zinc/70/67/76/372706776.db2.gz RDCSQPWNZQGDKX-VHSXEESVSA-N 1 0 213.325 0.975 10 0 BCAERO O=C(C[NH2+]C1CCCC1)N1CC[C@H](O)C1 ZINC000061712387 181976041 /nfs/dbraw/zinc/97/60/41/181976041.db2.gz AIDCKNJFYMUBND-JTQLQIEISA-N 1 0 212.293 0.112 10 0 BCAERO O=C(CN[C@@H]1CC[NH2+]C1)c1cccs1 ZINC000095072742 181981763 /nfs/dbraw/zinc/98/17/63/181981763.db2.gz XKQPGDDLTHVWSP-MRVPVSSYSA-N 1 0 210.302 0.882 10 0 BCAERO O=C(COC[C@@H]1CCC[NH2+]1)c1ccc[nH]1 ZINC000095072869 181998938 /nfs/dbraw/zinc/99/89/38/181998938.db2.gz KSCYPAHEQHJSPR-VIFPVBQESA-N 1 0 208.261 0.966 10 0 BCAERO O=C(COc1ccccc1O)N1CC[NH2+]CC1 ZINC000024863963 182005002 /nfs/dbraw/zinc/00/50/02/182005002.db2.gz QVPAMVUAEZBLAU-UHFFFAOYSA-N 1 0 236.271 0.203 10 0 BCAERO O=C(CO[C@H]1CC[NH2+]C1)c1cnccn1 ZINC000095072843 181999678 /nfs/dbraw/zinc/99/96/78/181999678.db2.gz IAUVBGNYHHXOJB-QMMMGPOBSA-N 1 0 207.233 0.038 10 0 BCAERO O=C(CO[C@H]1CCC[NH2+]C1)c1ccc[nH]1 ZINC000095072833 182000380 /nfs/dbraw/zinc/00/03/80/182000380.db2.gz ZFUXWGXCIKSHQL-VIFPVBQESA-N 1 0 208.261 0.966 10 0 BCAERO NC(=O)CSC1=[NH+][C@H]2CCCC[C@@H]2N1 ZINC000172167100 372895047 /nfs/dbraw/zinc/89/50/47/372895047.db2.gz AHICVZDYJMKDDH-BQBZGAKWSA-N 1 0 213.306 0.475 10 0 BCAERO OCC[N@@H+](Cc1ccccc1)C[C@H]1CO1 ZINC000039189499 372897312 /nfs/dbraw/zinc/89/73/12/372897312.db2.gz JMSXDKVGNSJVQG-LBPRGKRZSA-N 1 0 207.273 0.880 10 0 BCAERO O=C(C[C@@H]1CCC[NH2+]C1)NC[C@@H]1CCCO1 ZINC000054290230 182019180 /nfs/dbraw/zinc/01/91/80/182019180.db2.gz NSXVZUFJJZCLPE-QWRGUYRKSA-N 1 0 226.320 0.671 10 0 BCAERO O=C(C[C@H]1CCC[NH2+]1)N1CCC[C@@H]1CO ZINC000042434970 182027510 /nfs/dbraw/zinc/02/75/10/182027510.db2.gz LXZDYCVREVGINM-NXEZZACHSA-N 1 0 212.293 0.112 10 0 BCAERO O=C(C[C@H]1CCC[NH2+]C1)NC[C@H]1CCCO1 ZINC000054290232 182028560 /nfs/dbraw/zinc/02/85/60/182028560.db2.gz NSXVZUFJJZCLPE-GHMZBOCLSA-N 1 0 226.320 0.671 10 0 BCAERO O=C(C[C@H]1CCC[NH2+]C1)N1CCC(O)CC1 ZINC000054289948 182028648 /nfs/dbraw/zinc/02/86/48/182028648.db2.gz HVQQXKHGUXZEQL-SNVBAGLBSA-N 1 0 226.320 0.359 10 0 BCAERO O=C(C[C@H]1CCC[NH2+]C1)N1CCC[C@@H]1CO ZINC000054291180 182028725 /nfs/dbraw/zinc/02/87/25/182028725.db2.gz CZEHHJSNCHGDRE-GHMZBOCLSA-N 1 0 226.320 0.359 10 0 BCAERO O=C(C[C@H]1CCC[NH2+]C1)Nc1nncs1 ZINC000054305780 182028789 /nfs/dbraw/zinc/02/87/89/182028789.db2.gz DTBDFISVWRZRQT-SSDOTTSWSA-N 1 0 226.305 0.866 10 0 BCAERO O=C(C[S@@](=O)C1CCCC1)N1CC[NH2+]CC1 ZINC000082654904 182031989 /nfs/dbraw/zinc/03/19/89/182031989.db2.gz UVPJQQGYPUIBBQ-INIZCTEOSA-N 1 0 244.360 0.110 10 0 BCAERO O=C(Cc1ccccn1)N[C@@H]1CC[NH2+]C1 ZINC000052092939 182046296 /nfs/dbraw/zinc/04/62/96/182046296.db2.gz IXPNVTHNFSQNQX-SNVBAGLBSA-N 1 0 205.261 0.102 10 0 BCAERO O=C(Cc1nccs1)N1CC[NH2+]CC1 ZINC000049815020 182061425 /nfs/dbraw/zinc/06/14/25/182061425.db2.gz NJNLOLVXQMBWLB-UHFFFAOYSA-N 1 0 211.290 0.117 10 0 BCAERO [NH2+]=C1CCCN1[C@@H]1CCCS(=O)(=O)C1 ZINC000068941800 373094166 /nfs/dbraw/zinc/09/41/66/373094166.db2.gz JYKBGZGZFYDELV-MRVPVSSYSA-N 1 0 216.306 0.637 10 0 BCAERO O=S1(=O)CCC[C@@H](NC2=[NH+]CCS2)C1 ZINC000068941965 373094405 /nfs/dbraw/zinc/09/44/05/373094405.db2.gz DGTAWUSCWBGTIG-SSDOTTSWSA-N 1 0 234.346 0.256 10 0 BCAERO O=C(N1CC[C@@H]2C[NH2+]C[C@H]21)C(F)(F)F ZINC000039055516 182082319 /nfs/dbraw/zinc/08/23/19/182082319.db2.gz LVKYRHNOQJWUKM-PHDIDXHHSA-N 1 0 208.183 0.369 10 0 BCAERO O=C(N1C[C@@H]2CC[NH2+][C@@H]2C1)C(F)(F)F ZINC000062810297 182083281 /nfs/dbraw/zinc/08/32/81/182083281.db2.gz YNQZSDTWCGYAPY-NTSWFWBYSA-N 1 0 208.183 0.369 10 0 BCAERO O=C(NC1(CO)CCCC1)[C@@H]1CC[NH2+]C1 ZINC000062116870 182090785 /nfs/dbraw/zinc/09/07/85/182090785.db2.gz LDAFYBSHRPAJGS-SECBINFHSA-N 1 0 212.293 0.017 10 0 BCAERO O=C(NC1(CO)CCCC1)[C@@H]1CCC[NH2+]1 ZINC000053071967 182091326 /nfs/dbraw/zinc/09/13/26/182091326.db2.gz JZELKXXZVDZKIZ-VIFPVBQESA-N 1 0 212.293 0.160 10 0 BCAERO O=C(NC1CCC1)N[C@@H]1CCCC[NH2+]C1 ZINC000128002090 182105049 /nfs/dbraw/zinc/10/50/49/182105049.db2.gz JTONIPHHDLMSDG-SNVBAGLBSA-N 1 0 211.309 0.980 10 0 BCAERO C[C@](N)(C[N@@H+]1CCCC(C)(C)C1)C(N)=O ZINC000069516416 373349584 /nfs/dbraw/zinc/34/95/84/373349584.db2.gz ZXULKLBAFGCTDU-NSHDSACASA-N 1 0 213.325 0.311 10 0 BCAERO O=C(NC1Cc2ccccc2C1)[C@H]1CC[NH2+]C1 ZINC000236401968 182119700 /nfs/dbraw/zinc/11/97/00/182119700.db2.gz MZOALJYYYFLJIQ-LBPRGKRZSA-N 1 0 230.311 0.880 10 0 BCAERO CC[C@]1(C)C[C@]([NH3+])(C(=O)OC)CCO1 ZINC000069543632 373449039 /nfs/dbraw/zinc/44/90/39/373449039.db2.gz PLKPLVCMLCJUHG-ZJUUUORDSA-N 1 0 201.266 0.836 10 0 BCAERO CSCC(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000069683572 373593188 /nfs/dbraw/zinc/59/31/88/373593188.db2.gz ZFSMACGRXPWNHP-MRVPVSSYSA-N 1 0 202.323 0.608 10 0 BCAERO [NH3+][C@H]1CCN(CCc2cscn2)C1=O ZINC000069626728 373549953 /nfs/dbraw/zinc/54/99/53/373549953.db2.gz FXHNVSZJQVVHNT-QMMMGPOBSA-N 1 0 211.290 0.245 10 0 BCAERO C[C@H]1CCN(C(=O)C(F)(F)F)C[C@H]1[NH3+] ZINC000069719330 373647816 /nfs/dbraw/zinc/64/78/16/373647816.db2.gz DOXMYCSKSHKPAP-NTSWFWBYSA-N 1 0 210.199 0.744 10 0 BCAERO CSCC(=O)N1CC[C@@H](C)[C@H]([NH3+])C1 ZINC000069718929 373647986 /nfs/dbraw/zinc/64/79/86/373647986.db2.gz BWKRFIQOMOBTKO-HTQZYQBOSA-N 1 0 202.323 0.545 10 0 BCAERO O=C(NCC[C@@H]1CCCC[NH2+]1)[C@H]1CCCO1 ZINC000019474788 182199083 /nfs/dbraw/zinc/19/90/83/182199083.db2.gz WWBNMJRZTUYERX-WDEREUQCSA-N 1 0 226.320 0.814 10 0 BCAERO O=C(NCCc1ccco1)C1CC[NH2+]CC1 ZINC000021952265 182207513 /nfs/dbraw/zinc/20/75/13/182207513.db2.gz UWIOEYQGGUHCCL-UHFFFAOYSA-N 1 0 222.288 0.938 10 0 BCAERO O=C(NC[C@H](O)C(F)(F)F)[C@@H]1CCCC[NH2+]1 ZINC000225389154 182231846 /nfs/dbraw/zinc/23/18/46/182231846.db2.gz VPKPYIXWBLTKCR-BQBZGAKWSA-N 1 0 240.225 0.168 10 0 BCAERO O=C(NC[C@H](O)C(F)(F)F)[C@@H]1CCC[NH2+]C1 ZINC000225391991 182231905 /nfs/dbraw/zinc/23/19/05/182231905.db2.gz WAVBFZWHSLKTBO-RQJHMYQMSA-N 1 0 240.225 0.025 10 0 BCAERO CCC[NH2+]Cc1cnc2c(C(N)=O)cnn2c1 ZINC000070168463 374124937 /nfs/dbraw/zinc/12/49/37/374124937.db2.gz ISCCGGMFLCIBMR-UHFFFAOYSA-N 1 0 233.275 0.328 10 0 BCAERO CCCCNC(=O)[C@@H](C)[NH2+]CC(=O)NC(C)C ZINC000035207161 168855154 /nfs/dbraw/zinc/85/51/54/168855154.db2.gz PCISUFJDQBRMBW-SNVBAGLBSA-N 1 0 243.351 0.405 10 0 BCAERO c1cn2c(n1)CC[C@H]([NH2+]Cc1cn[nH]c1)C2 ZINC000381505543 374126478 /nfs/dbraw/zinc/12/64/78/374126478.db2.gz PWCWJFIAGFNTOC-JTQLQIEISA-N 1 0 217.276 0.711 10 0 BCAERO COc1ccc([C@H](O)CN2CC[C@H]([NH3+])C2)cc1 ZINC000070458360 374143468 /nfs/dbraw/zinc/14/34/68/374143468.db2.gz ACYWPAFIBGIGSI-WCQYABFASA-N 1 0 236.315 0.762 10 0 BCAERO CC(C)CS(=O)(=O)N1CCCC[C@@H]1[NH3+] ZINC000070633753 374157731 /nfs/dbraw/zinc/15/77/31/374157731.db2.gz MZQUDYUUNWPCTR-SECBINFHSA-N 1 0 220.338 0.743 10 0 BCAERO CC(C)CS(=O)(=O)N1CCCC[C@H]1[NH3+] ZINC000070633754 374157975 /nfs/dbraw/zinc/15/79/75/374157975.db2.gz MZQUDYUUNWPCTR-VIFPVBQESA-N 1 0 220.338 0.743 10 0 BCAERO O=C(NC[C@H]1CC=CCC1)[C@@H]1C[NH2+]CCO1 ZINC000045647401 182235618 /nfs/dbraw/zinc/23/56/18/182235618.db2.gz XHMWGJILCKAGQI-QWRGUYRKSA-N 1 0 224.304 0.447 10 0 BCAERO O=C(NC[C@H]1CCCC[NH2+]1)c1cn[nH]c1 ZINC000044491851 182236397 /nfs/dbraw/zinc/23/63/97/182236397.db2.gz OQOZGVGEXFUEMZ-SECBINFHSA-N 1 0 208.265 0.282 10 0 BCAERO O=C(NCc1cccc(F)c1)C1C[NH2+]C1 ZINC000084408580 182254095 /nfs/dbraw/zinc/25/40/95/182254095.db2.gz SAHHPNHIUFLNJF-UHFFFAOYSA-N 1 0 208.236 0.661 10 0 BCAERO O=C(NCc1cc[nH]n1)C1CC[NH2+]CC1 ZINC000041016260 182249110 /nfs/dbraw/zinc/24/91/10/182249110.db2.gz OWELPMDLMVUQRR-UHFFFAOYSA-N 1 0 208.265 0.026 10 0 BCAERO CN(C[C@H]1CCOCO1)[C@@H]1CC[NH2+]C1 ZINC000070894452 374226167 /nfs/dbraw/zinc/22/61/67/374226167.db2.gz HCGZZLSKQNOLQZ-NXEZZACHSA-N 1 0 200.282 0.043 10 0 BCAERO CC[N@@H+]1CC[C@@H](NC(=O)N2CCCC2)C1 ZINC000334577734 170013250 /nfs/dbraw/zinc/01/32/50/170013250.db2.gz GQIZIGDPLHIVCK-SNVBAGLBSA-N 1 0 211.309 0.886 10 0 BCAERO O=C(NCc1ncc[nH]1)[C@H]1CCC[NH2+]C1 ZINC000070646643 182274028 /nfs/dbraw/zinc/27/40/28/182274028.db2.gz ZINBMZGUHZEIIX-QMMMGPOBSA-N 1 0 208.265 0.026 10 0 BCAERO O=C(N[C@@H]1CC[NH2+]C1)c1ccc2[nH]cnc2c1 ZINC000036286799 182303854 /nfs/dbraw/zinc/30/38/54/182303854.db2.gz JRNUROAIPQLCDX-SECBINFHSA-N 1 0 230.271 0.655 10 0 BCAERO C[C@@H]1C[NH+](CCCN2CCOCC2)C[C@@H](C)O1 ZINC000157306850 206081638 /nfs/dbraw/zinc/08/16/38/206081638.db2.gz BGDDOXIHOVKVIW-CHWSQXEVSA-N 1 0 242.363 0.818 10 0 BCAERO O=C(N[C@H]1CCC[NH2+]C1)[C@H]1C[C@@H]1C1CC1 ZINC000238143352 182329141 /nfs/dbraw/zinc/32/91/41/182329141.db2.gz DOCMQHJPJKHPGO-AXFHLTTASA-N 1 0 208.305 0.901 10 0 BCAERO O=C(N[C@H]1CCC[NH2+]C1)c1cccc(O)c1 ZINC000019387331 182329512 /nfs/dbraw/zinc/32/95/12/182329512.db2.gz HIIVAMBNWIDETK-JTQLQIEISA-N 1 0 220.272 0.874 10 0 BCAERO O=C(N[C@H]1CCCOC1)[C@H]1CCC[NH2+]C1 ZINC000071023621 182330452 /nfs/dbraw/zinc/33/04/52/182330452.db2.gz AABQEDQVMKMIQG-UWVGGRQHSA-N 1 0 212.293 0.281 10 0 BCAERO O=C(N[C@H]1CCC[C@@H](O)C1)C1CC[NH2+]CC1 ZINC000037000945 182331412 /nfs/dbraw/zinc/33/14/12/182331412.db2.gz SEOGYMBCHHOXHZ-WDEREUQCSA-N 1 0 226.320 0.406 10 0 BCAERO O=C(N[C@H]1C[NH2+]C[C@@H]1O)OCc1ccccc1 ZINC000095845456 182341952 /nfs/dbraw/zinc/34/19/52/182341952.db2.gz XFRZHUKQUUVRFG-QWRGUYRKSA-N 1 0 236.271 0.246 10 0 BCAERO O=C(N[C@H]1C[NH+]2CCC1CC2)c1cncc(O)c1 ZINC000104422300 182342305 /nfs/dbraw/zinc/34/23/05/182342305.db2.gz IVDGKZQMEVDQPX-LBPRGKRZSA-N 1 0 247.298 0.611 10 0 BCAERO O=C(Nc1ccc(Cl)nc1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000122146070 182354128 /nfs/dbraw/zinc/35/41/28/182354128.db2.gz CQHBVJCWWXQQTN-YUMQZZPRSA-N 1 0 241.678 0.396 10 0 BCAERO O=C(Nc1c(F)cccc1F)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000020476395 182346437 /nfs/dbraw/zinc/34/64/37/182346437.db2.gz ARZGJAXABMGKBO-HZGVNTEJSA-N 1 0 242.225 0.626 10 0 BCAERO O=C(Nc1cccc(F)c1F)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000040231012 182370863 /nfs/dbraw/zinc/37/08/63/182370863.db2.gz LDPGQMLNJCCZRA-MUWHJKNJSA-N 1 0 242.225 0.626 10 0 BCAERO O=C([C@H]1CCC[NH2+]C1)N1CCCC[C@@H]1CCO ZINC000019409037 182635486 /nfs/dbraw/zinc/63/54/86/182635486.db2.gz RHPXQTCXXCMDRN-NWDGAFQWSA-N 1 0 240.347 0.750 10 0 BCAERO CCOC(=O)[C@@H](N)C[N@H+](C)[C@@H](C)C1CC1 ZINC000045392656 170253084 /nfs/dbraw/zinc/25/30/84/170253084.db2.gz XLXVXYBLBBCHOG-WPRPVWTQSA-N 1 0 214.309 0.607 10 0 BCAERO O=C1CN(Cc2ccccc2)[C@@H]2C[NH2+]C[C@@H]12 ZINC000082369668 182762211 /nfs/dbraw/zinc/76/22/11/182762211.db2.gz AWUXBZQBJJPILE-VXGBXAGGSA-N 1 0 216.284 0.659 10 0 BCAERO O=C1COc2ccc([C@H](O)[C@H]3CCC[NH2+]3)cc2N1 ZINC000062535455 182769807 /nfs/dbraw/zinc/76/98/07/182769807.db2.gz XOLSCZNSPLLLRR-RNCFNFMXSA-N 1 0 248.282 0.803 10 0 BCAERO O=C1c2ccncc2C(=O)N1C[C@@H]1CCC[NH2+]C1 ZINC000071336882 182846588 /nfs/dbraw/zinc/84/65/88/182846588.db2.gz GOLXJXGBMHJXTR-SECBINFHSA-N 1 0 245.282 0.677 10 0 BCAERO CCOC(=O)c1cnc(CC[NH3+])nc1C ZINC000095760912 170301786 /nfs/dbraw/zinc/30/17/86/170301786.db2.gz CTQLDRAHXHMEAS-UHFFFAOYSA-N 1 0 209.249 0.463 10 0 BCAERO O=C1[C@@H]2CC=CC[C@@H]2C(=O)N1CC[C@H]1CC[NH2+]C1 ZINC000104365825 182841329 /nfs/dbraw/zinc/84/13/29/182841329.db2.gz JWELQEITNWEBEN-UTUOFQBUSA-N 1 0 248.326 0.937 10 0 BCAERO O=S(=O)(NC1CC[NH2+]CC1)c1cc[nH]c1 ZINC000036285953 182895098 /nfs/dbraw/zinc/89/50/98/182895098.db2.gz NEVZRDPOSHWJQD-UHFFFAOYSA-N 1 0 229.305 0.045 10 0 BCAERO C[C@@H]([NH3+])CCNC(=O)CC1CCOCC1 ZINC000178697961 134312895 /nfs/dbraw/zinc/31/28/95/134312895.db2.gz RDHRBWPZZHEOLA-SECBINFHSA-N 1 0 214.309 0.657 10 0 BCAERO O=S(=O)(N[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000036284477 182899515 /nfs/dbraw/zinc/89/95/15/182899515.db2.gz WGXBFGANZINQDG-SECBINFHSA-N 1 0 226.301 0.327 10 0 BCAERO O=S(=O)(c1ncc(Cl)cn1)[C@H]1CC[NH2+]C1 ZINC000095069993 182906158 /nfs/dbraw/zinc/90/61/58/182906158.db2.gz UZMGXNGYKABISX-ZETCQYMHSA-N 1 0 247.707 0.266 10 0 BCAERO O=S1(=O)CCCCN1C[C@@H]1CCC[NH2+]C1 ZINC000082656809 182907579 /nfs/dbraw/zinc/90/75/79/182907579.db2.gz SSQCESLVPFNQBW-SNVBAGLBSA-N 1 0 232.349 0.412 10 0 BCAERO O=S1CCC([NH2+][C@@H]2CCCC[C@H]2O)CC1 ZINC000052002580 182918033 /nfs/dbraw/zinc/91/80/33/182918033.db2.gz URXNKVZWOLMEHV-YJVGMPMCSA-N 1 0 231.361 0.791 10 0 BCAERO O=[S@](C[C@@H]1CC[NH2+]C1)c1ncc(Cl)cn1 ZINC000095070029 182966591 /nfs/dbraw/zinc/96/65/91/182966591.db2.gz RIWRGBZPWAAMRX-MLXNANBUSA-N 1 0 245.735 0.847 10 0 BCAERO O=[S@](c1ncccn1)C1CC[NH2+]CC1 ZINC000095073414 182968289 /nfs/dbraw/zinc/96/82/89/182968289.db2.gz RWOCTYOKGVXEHM-CQSZACIVSA-N 1 0 211.290 0.336 10 0 BCAERO O=c1cc(CN2CC[NH2+]CC2)c2ccccc2[nH]1 ZINC000019621188 182994402 /nfs/dbraw/zinc/99/44/02/182994402.db2.gz GLRMHNNMSSAGIM-UHFFFAOYSA-N 1 0 243.310 0.933 10 0 BCAERO O=c1c(NC[C@@H]2CCC[NH2+]2)nccn1C1CC1 ZINC000061768376 182984669 /nfs/dbraw/zinc/98/46/69/182984669.db2.gz RTVFBNHVZGLQKL-VIFPVBQESA-N 1 0 234.303 0.742 10 0 BCAERO O=c1cccnn1CC[C@H]1CCC[NH2+]C1 ZINC000061403284 183004170 /nfs/dbraw/zinc/00/41/70/183004170.db2.gz ISOOWXRIXHPHEU-SNVBAGLBSA-N 1 0 207.277 0.633 10 0 BCAERO O=c1ncccn1CC[C@H]1CCC[NH2+]C1 ZINC000051919797 183011573 /nfs/dbraw/zinc/01/15/73/183011573.db2.gz REAPULOIXAEAKS-SNVBAGLBSA-N 1 0 207.277 0.633 10 0 BCAERO O=c1ncccn1CC[C@H]1CCCC[NH2+]1 ZINC000041631032 183011851 /nfs/dbraw/zinc/01/18/51/183011851.db2.gz DZCLTCISMSOWON-SNVBAGLBSA-N 1 0 207.277 0.776 10 0 BCAERO O=c1ncccn1CC[C@@H]1CCC[NH2+]C1 ZINC000051919795 183011930 /nfs/dbraw/zinc/01/19/30/183011930.db2.gz REAPULOIXAEAKS-JTQLQIEISA-N 1 0 207.277 0.633 10 0 BCAERO OC1(CN2CC[N@@H+]3CCC[C@H]3C2)CCC1 ZINC000336470956 183017977 /nfs/dbraw/zinc/01/79/77/183017977.db2.gz RQKJWBVYCQHEHN-NSHDSACASA-N 1 0 210.321 0.681 10 0 BCAERO CCCC[C@@H]([NH3+])[C@H]1CCS(=O)(=O)C1 ZINC000043300144 168970908 /nfs/dbraw/zinc/97/09/08/168970908.db2.gz SEFRXAWKSIOEOE-DTWKUNHWSA-N 1 0 205.323 0.939 10 0 BCAERO OCC1([NH2+][C@H]2COC[C@H]2O)CCCCC1 ZINC000053096870 183039799 /nfs/dbraw/zinc/03/97/99/183039799.db2.gz YMSTWTLYEJRQRY-VHSXEESVSA-N 1 0 215.293 0.031 10 0 BCAERO OCCCC[N@@H+]1CCO[C@H](Cn2cccn2)C1 ZINC000105920576 183050409 /nfs/dbraw/zinc/05/04/09/183050409.db2.gz GGYORTPHNWXQIP-LBPRGKRZSA-N 1 0 239.319 0.356 10 0 BCAERO OCCN1CCC[N@H+](C[C@@H]2CCCCO2)CC1 ZINC000071350147 183073053 /nfs/dbraw/zinc/07/30/53/183073053.db2.gz CMVFFGGQLDJTRU-ZDUSSCGKSA-N 1 0 242.363 0.556 10 0 BCAERO OC[C@@H](c1cccc(O)c1)N1CC[NH2+]CC1 ZINC000038120834 183114150 /nfs/dbraw/zinc/11/41/50/183114150.db2.gz PWKRRHZKVAAZHA-LBPRGKRZSA-N 1 0 222.288 0.331 10 0 BCAERO OC[C@@H]1CCCC[N@@H+]1CC1(CO)CCOCC1 ZINC000052199785 183116459 /nfs/dbraw/zinc/11/64/59/183116459.db2.gz NZVHVSYLVFFSCG-LBPRGKRZSA-N 1 0 243.347 0.622 10 0 BCAERO CCCC[C@H]([NH3+])C(=O)N(CCC)CC(=O)NC ZINC000038101077 169005789 /nfs/dbraw/zinc/00/57/89/169005789.db2.gz LHSNTLWQFOFBPK-JTQLQIEISA-N 1 0 243.351 0.489 10 0 BCAERO OC[C@H](O)C[NH2+][C@H]1CCOc2ccccc21 ZINC000077573730 183144569 /nfs/dbraw/zinc/14/45/69/183144569.db2.gz XRFVINHMQWHVMG-KOLCDFICSA-N 1 0 223.272 0.453 10 0 BCAERO OCc1ccc(C[NH2+][C@@H]2CCC[C@@H]2O)o1 ZINC000164611788 183165000 /nfs/dbraw/zinc/16/50/00/183165000.db2.gz JZOWVXTUJLSLSQ-MNOVXSKESA-N 1 0 211.261 0.775 10 0 BCAERO CCCN(C(=O)[C@@H]1C[C@H](O)C[NH2+]1)C(C)C ZINC000037096209 169044529 /nfs/dbraw/zinc/04/45/29/169044529.db2.gz ADYMJLMFJFKTIT-UWVGGRQHSA-N 1 0 214.309 0.356 10 0 BCAERO CCCN(C(=O)[C@H]1C[C@H](O)C[NH2+]1)C(C)C ZINC000037096210 169046896 /nfs/dbraw/zinc/04/68/96/169046896.db2.gz ADYMJLMFJFKTIT-VHSXEESVSA-N 1 0 214.309 0.356 10 0 BCAERO CCCN(C(=O)c1cn[nH]n1)C1CC[NH2+]CC1 ZINC000071215191 169047827 /nfs/dbraw/zinc/04/78/27/169047827.db2.gz MUVHXQBJNJKCQW-UHFFFAOYSA-N 1 0 237.307 0.409 10 0 BCAERO CCCN(C)C(=O)[C@@H]1C[C@H](OC)C[NH2+]1 ZINC000040631559 169058694 /nfs/dbraw/zinc/05/86/94/169058694.db2.gz FXUIMHHNJWTYAZ-IUCAKERBSA-N 1 0 200.282 0.232 10 0 BCAERO CCCN(C)C(=O)[C@@H](C)N1CC[NH2+]CC1 ZINC000037098781 169056382 /nfs/dbraw/zinc/05/63/82/169056382.db2.gz WPYBPKMWPXFHCP-SNVBAGLBSA-N 1 0 213.325 0.149 10 0 BCAERO O[C@@H]1CC[NH2+]C[C@H]1CCc1ccncc1 ZINC000076640678 183201210 /nfs/dbraw/zinc/20/12/10/183201210.db2.gz ZQKZCKDMUZMMPV-VXGBXAGGSA-N 1 0 206.289 0.985 10 0 BCAERO CCC[N@H+](C)CC[C@H](N)C(=O)OCC ZINC000062445427 169078162 /nfs/dbraw/zinc/07/81/62/169078162.db2.gz SLYXUUBMFPGFKV-VIFPVBQESA-N 1 0 202.298 0.609 10 0 BCAERO CCCN(CC(=O)OC)C(=O)[C@@](C)([NH3+])C1CC1 ZINC000037813097 169100430 /nfs/dbraw/zinc/10/04/30/169100430.db2.gz FHWPSDLAGOCNMW-LBPRGKRZSA-N 1 0 242.319 0.525 10 0 BCAERO O[C@H](CCNC1=[NH+]CCN1)c1ccccc1 ZINC000141523359 183218967 /nfs/dbraw/zinc/21/89/67/183218967.db2.gz HSYXITMUNLJCOL-LLVKDONJSA-N 1 0 219.288 0.659 10 0 BCAERO CCCN(CC(=O)OC)C(=O)n1cc[n+](C)c1 ZINC000042712386 169100698 /nfs/dbraw/zinc/10/06/98/169100698.db2.gz VBVALNLIOSAUTJ-UHFFFAOYSA-N 1 0 240.283 0.166 10 0 BCAERO CCCN(CC(=O)OC)C(=O)C[NH2+][C@@H](C)CC ZINC000037813083 169100725 /nfs/dbraw/zinc/10/07/25/169100725.db2.gz SSIPTWRFQKXYDP-JTQLQIEISA-N 1 0 244.335 0.786 10 0 BCAERO CCCN(CC(=O)OC)C(=O)[C@](C)([NH3+])C1CC1 ZINC000037813096 169100729 /nfs/dbraw/zinc/10/07/29/169100729.db2.gz FHWPSDLAGOCNMW-GFCCVEGCSA-N 1 0 242.319 0.525 10 0 BCAERO O[C@H]1CCCC[C@@H]1[NH2+]CCn1ccnc1 ZINC000042541375 183231101 /nfs/dbraw/zinc/23/11/01/183231101.db2.gz LKAAGLVUEUOHIM-QWRGUYRKSA-N 1 0 209.293 0.776 10 0 BCAERO O[C@H](C[NH2+]CC[C@@H]1CCCO1)Cn1cccn1 ZINC000038096537 183223272 /nfs/dbraw/zinc/22/32/72/183223272.db2.gz JFUIWIGLKYQYTM-NEPJUHHUSA-N 1 0 239.319 0.403 10 0 BCAERO O[C@@H]1COC[C@@H]1[NH2+]C[C@@H]1Cc2ccccc2O1 ZINC000216425084 183209957 /nfs/dbraw/zinc/20/99/57/183209957.db2.gz GYGLCPPSSYUFIN-SDDRHHMPSA-N 1 0 235.283 0.339 10 0 BCAERO O[C@@H]1C[C@H](c2cncnc2)[C@@H]([NH2+]CC2CC2)[C@@H]1O ZINC000096296152 183212797 /nfs/dbraw/zinc/21/27/97/183212797.db2.gz WMQKFOHYWBOWAX-FDYHWXHSSA-N 1 0 249.314 0.054 10 0 BCAERO O[C@@H]1C[NH2+][C@H](CCNc2ccccc2)[C@@H]1O ZINC000013859317 183213256 /nfs/dbraw/zinc/21/32/56/183213256.db2.gz HAOLJUHRPKTQFK-UTUOFQBUSA-N 1 0 222.288 0.182 10 0 BCAERO O[C@H]1C[NH2+]CC[C@@H]1NCc1ccccc1 ZINC000034122513 183245336 /nfs/dbraw/zinc/24/53/36/183245336.db2.gz AHEIGAOSXRVHSH-RYUDHWBXSA-N 1 0 206.289 0.499 10 0 BCAERO O[C@H]1C[NH2+]C[C@H]1Oc1cccc2cccnc21 ZINC000104230990 183245411 /nfs/dbraw/zinc/24/54/11/183245411.db2.gz QIRUNLPTHZKIIX-CMPLNLGQSA-N 1 0 230.267 0.946 10 0 BCAERO CCCN(CCC)[C@H]1CS(=O)(=O)C[C@H]1[NH3+] ZINC000031990103 169152283 /nfs/dbraw/zinc/15/22/83/169152283.db2.gz JIGFACSMKHCGPE-ZJUUUORDSA-N 1 0 234.365 0.233 10 0 BCAERO CCCN(CCC)C(=O)CN1C[C@H]([NH3+])[C@@H](C)C1 ZINC000233062370 169141489 /nfs/dbraw/zinc/14/14/89/169141489.db2.gz RZZDWRYJXURHRI-RYUDHWBXSA-N 1 0 241.379 0.914 10 0 BCAERO CCC[N@H+](C[C@H](N)C(=O)OCC)C1CC1 ZINC000045387228 169172843 /nfs/dbraw/zinc/17/28/43/169172843.db2.gz SXLMFMFHKFTMHM-JTQLQIEISA-N 1 0 214.309 0.751 10 0 BCAERO CCCN(CCC[NH3+])[C@@H]1CCS(=O)(=O)C1 ZINC000037981884 169155772 /nfs/dbraw/zinc/15/57/72/169155772.db2.gz DYIFYOJPEZVUDG-SNVBAGLBSA-N 1 0 234.365 0.234 10 0 BCAERO CCCN(CCC[NH3+])c1ncccc1C(N)=O ZINC000034960263 169156409 /nfs/dbraw/zinc/15/64/09/169156409.db2.gz HIYBUXGAEIBGPF-UHFFFAOYSA-N 1 0 236.319 0.746 10 0 BCAERO CCCN(CCO)C(=O)[C@@H]([NH3+])c1ccccc1 ZINC000037809521 169163089 /nfs/dbraw/zinc/16/30/89/169163089.db2.gz MCHJBFAZQWEFFP-LBPRGKRZSA-N 1 0 236.315 0.917 10 0 BCAERO CCC[N@H+](CCO)CCC(=O)NCC ZINC000047496568 169165862 /nfs/dbraw/zinc/16/58/62/169165862.db2.gz DLYPJUDBFBGKCM-UHFFFAOYSA-N 1 0 202.298 0.217 10 0 BCAERO CCCN1C(=O)C[C@H]([NH2+]C(C)(C)C)C1=O ZINC000102665143 169184457 /nfs/dbraw/zinc/18/44/57/169184457.db2.gz RBTHCXKGTPSANK-QMMMGPOBSA-N 1 0 212.293 0.912 10 0 BCAERO CCC[NH+]1CCC(NC(=O)C(=O)OCC)CC1 ZINC000049561777 169188363 /nfs/dbraw/zinc/18/83/63/169188363.db2.gz CCURJFUMGUMXFV-UHFFFAOYSA-N 1 0 242.319 0.540 10 0 BCAERO CCC[NH+]1CCC(N[C@H](C)C(=O)NC)CC1 ZINC000042220971 169189534 /nfs/dbraw/zinc/18/95/34/169189534.db2.gz LQJVYDFHWNPIEA-SNVBAGLBSA-N 1 0 227.352 0.585 10 0 BCAERO CCCNC(=O)CNC(=O)[C@H]1CCC[NH2+][C@H]1C ZINC000094647275 169224711 /nfs/dbraw/zinc/22/47/11/169224711.db2.gz DQQKNCNWMVQOOG-UWVGGRQHSA-N 1 0 241.335 0.017 10 0 BCAERO CCCNC(=O)CNC(=O)[C@@H]1CCC[NH2+][C@H]1C ZINC000094647274 169225356 /nfs/dbraw/zinc/22/53/56/169225356.db2.gz DQQKNCNWMVQOOG-VHSXEESVSA-N 1 0 241.335 0.017 10 0 BCAERO CCCNC(=O)CNC(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000055087524 169225438 /nfs/dbraw/zinc/22/54/38/169225438.db2.gz CMKGNIWTEIGLHD-UWVGGRQHSA-N 1 0 241.335 0.146 10 0 BCAERO c1cc(CN2CCC3(C[NH2+]C3)C2)ccn1 ZINC000096202780 183339353 /nfs/dbraw/zinc/33/93/53/183339353.db2.gz LJEACWFOGNVHKH-UHFFFAOYSA-N 1 0 203.289 0.877 10 0 BCAERO CCCNC(=O)C[NH2+]C1CCOCC1 ZINC000036304729 169226439 /nfs/dbraw/zinc/22/64/39/169226439.db2.gz OULPPWWDZXCHNS-UHFFFAOYSA-N 1 0 200.282 0.281 10 0 BCAERO CCCNC(=O)C[NH2+][C@@H](C)C(=O)NCC(C)C ZINC000035148411 169227294 /nfs/dbraw/zinc/22/72/94/169227294.db2.gz MVXYHCCLRIIINS-JTQLQIEISA-N 1 0 243.351 0.263 10 0 BCAERO CCCNC(=O)C[NH2+]Cc1cnn(C)c1C ZINC000086551941 169227598 /nfs/dbraw/zinc/22/75/98/169227598.db2.gz DLANNSZIASAROQ-UHFFFAOYSA-N 1 0 224.308 0.344 10 0 BCAERO CC(C)(C)[NH2+]CCC(=O)NCc1cn[nH]c1 ZINC000038006681 166630489 /nfs/dbraw/zinc/63/04/89/166630489.db2.gz PTJDLPMOZSPTMX-UHFFFAOYSA-N 1 0 224.308 0.804 10 0 BCAERO CCCNC(=O)C[N@H+](C)CCC(N)=S ZINC000019834922 169219384 /nfs/dbraw/zinc/21/93/84/169219384.db2.gz HAUKIZGWOLMJTR-UHFFFAOYSA-N 1 0 217.338 0.121 10 0 BCAERO c1cc2nc([C@@H]3C[NH2+]CCO3)nc-2c[nH]1 ZINC000070801504 183363718 /nfs/dbraw/zinc/36/37/18/183363718.db2.gz AXAUSRZBZWTRSC-VIFPVBQESA-N 1 0 204.233 0.619 10 0 BCAERO CCC[NH2+]C1(C(N)=O)CCSCC1 ZINC000041048797 169254107 /nfs/dbraw/zinc/25/41/07/169254107.db2.gz LWLPVNOMGAJKKL-UHFFFAOYSA-N 1 0 202.323 0.737 10 0 BCAERO CCC[NH2+]C1CCN(C[C@H]2COCCO2)CC1 ZINC000038062676 169256114 /nfs/dbraw/zinc/25/61/14/169256114.db2.gz IEAOLAWFGUSPTQ-ZDUSSCGKSA-N 1 0 242.363 0.866 10 0 BCAERO CCC[NH2+]CCCn1nc2n(c1=O)CCCC2 ZINC000061817735 169258508 /nfs/dbraw/zinc/25/85/08/169258508.db2.gz BWVOMJJSWAHAOS-UHFFFAOYSA-N 1 0 238.335 0.771 10 0 BCAERO CCC[NH2+]CCNCCCN1CCOCC1 ZINC000049474794 169259009 /nfs/dbraw/zinc/25/90/09/169259009.db2.gz APWNJSGFISVSDB-UHFFFAOYSA-N 1 0 229.368 0.298 10 0 BCAERO CCC[NH2+]CCNc1ccc(C(N)=O)cn1 ZINC000054267504 169260027 /nfs/dbraw/zinc/26/00/27/169260027.db2.gz HIULFKLKWNXNBL-UHFFFAOYSA-N 1 0 222.292 0.592 10 0 BCAERO c1cc(OC[C@@H]2C[NH2+]CCO2)cc2c1OCO2 ZINC000011587438 183370091 /nfs/dbraw/zinc/37/00/91/183370091.db2.gz QTAAKGMWNJZVBS-JTQLQIEISA-N 1 0 237.255 0.783 10 0 BCAERO CCCNC(=O)[C@@H](C)NC(=O)C1([NH3+])CCCC1 ZINC000037616399 169242694 /nfs/dbraw/zinc/24/26/94/169242694.db2.gz OVZPHPTXBOFZIX-SECBINFHSA-N 1 0 241.335 0.289 10 0 BCAERO CCCNC(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000261907995 169249494 /nfs/dbraw/zinc/24/94/94/169249494.db2.gz IPEWCHRPLWGWTJ-MNOVXSKESA-N 1 0 236.319 0.249 10 0 BCAERO c1ccc(-n2nnnc2N[C@H]2CCC[NH2+]C2)cc1 ZINC000071397629 183387234 /nfs/dbraw/zinc/38/72/34/183387234.db2.gz AWPWUVJQUSQOOZ-JTQLQIEISA-N 1 0 244.302 0.826 10 0 BCAERO CCC[NH2+]C[C@H]1CCCCN1C[C@@H](C)C(N)=O ZINC000104427983 169264542 /nfs/dbraw/zinc/26/45/42/169264542.db2.gz AEHWSDPZYWATQY-VXGBXAGGSA-N 1 0 241.379 0.962 10 0 BCAERO c1ccc(CCC[NH2+]CCN2CCOCC2)nc1 ZINC000076276604 183391662 /nfs/dbraw/zinc/39/16/62/183391662.db2.gz OFQVHDHJMNOPNM-UHFFFAOYSA-N 1 0 249.358 0.936 10 0 BCAERO CCCNS(=O)(=O)c1ccc(F)c(C[NH3+])c1 ZINC000020189057 169272786 /nfs/dbraw/zinc/27/27/86/169272786.db2.gz NKXNKDLFBKJSHA-UHFFFAOYSA-N 1 0 246.307 0.973 10 0 BCAERO CCCNS(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000019422806 169272948 /nfs/dbraw/zinc/27/29/48/169272948.db2.gz ZKCPKNVHNJCJFO-QMMMGPOBSA-N 1 0 206.311 0.068 10 0 BCAERO CCC[NH2+][C@@H](COC)Cc1nc(COC)no1 ZINC000104057784 169279309 /nfs/dbraw/zinc/27/93/09/169279309.db2.gz JMXWBMGKKAKIMK-SECBINFHSA-N 1 0 243.307 0.773 10 0 BCAERO CCC[NH2+][C@@H]1CCOC[C@H]1S(C)(=O)=O ZINC000054930634 169282816 /nfs/dbraw/zinc/28/28/16/169282816.db2.gz CSOZMUFOHWXPNB-RKDXNWHRSA-N 1 0 221.322 0.188 10 0 BCAERO CCCOCC(=O)N1CCC[C@@H]1C[NH3+] ZINC000226279641 169303495 /nfs/dbraw/zinc/30/34/95/169303495.db2.gz AAKLDTCIDIUDEB-SECBINFHSA-N 1 0 200.282 0.363 10 0 BCAERO CCCOCCO[C@H](C)C(=O)N1CC[NH2+]CC1 ZINC000104239375 169310290 /nfs/dbraw/zinc/31/02/90/169310290.db2.gz CYSGMSHHHLHILI-LLVKDONJSA-N 1 0 244.335 0.250 10 0 BCAERO CCCO[C@H](C)C(=O)N1CC[NH2+]CC1 ZINC000037025522 169312472 /nfs/dbraw/zinc/31/24/72/169312472.db2.gz YSXWEOHIECRCAX-SECBINFHSA-N 1 0 200.282 0.233 10 0 BCAERO CCC[NH2+][C@H]1CCN(C[C@H]2COCCO2)C1=O ZINC000049648900 169291525 /nfs/dbraw/zinc/29/15/25/169291525.db2.gz FKFAAYSMKRGYJF-QWRGUYRKSA-N 1 0 242.319 0.002 10 0 BCAERO CCC[NH2+][C@]1(C(N)=O)CCCSC1 ZINC000061590441 169293498 /nfs/dbraw/zinc/29/34/98/169293498.db2.gz VXSMAJUBYUEGOO-SECBINFHSA-N 1 0 202.323 0.737 10 0 BCAERO CCC[C@@H](C)NC(=O)[C@H](C)[NH2+]CCOCCO ZINC000052684384 169368221 /nfs/dbraw/zinc/36/82/21/169368221.db2.gz IKCVXGIUWHSJGB-MNOVXSKESA-N 1 0 246.351 0.278 10 0 BCAERO c1cnc2[nH]c(NC[C@H]3CC[NH2+]C3)nc2c1 ZINC000095092618 183487251 /nfs/dbraw/zinc/48/72/51/183487251.db2.gz MQAVZMSGHRWRJP-QMMMGPOBSA-N 1 0 217.276 0.979 10 0 BCAERO CCC[C@@H](C)C(=O)NC1CCN(CC[NH3+])CC1 ZINC000104355130 169349872 /nfs/dbraw/zinc/34/98/72/169349872.db2.gz CVGWRQPVRFPRLZ-LLVKDONJSA-N 1 0 241.379 0.962 10 0 BCAERO c1cnc(COC[C@@H]2CCC[NH2+]C2)nc1 ZINC000054460874 183479392 /nfs/dbraw/zinc/47/93/92/183479392.db2.gz UERQOFSGTJGBCY-SNVBAGLBSA-N 1 0 207.277 0.993 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)N1CCn2ccnc2C1 ZINC000062254822 169387685 /nfs/dbraw/zinc/38/76/85/169387685.db2.gz XTFSJFMMROGVJL-SECBINFHSA-N 1 0 222.292 0.353 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)N1CCCC[C@@H]1CO ZINC000036873369 169388182 /nfs/dbraw/zinc/38/81/82/169388182.db2.gz USCAKUQBFOLJBK-NXEZZACHSA-N 1 0 214.309 0.487 10 0 BCAERO c1cnn(CCN2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000171638573 183500205 /nfs/dbraw/zinc/50/02/05/183500205.db2.gz YYXBIVFVXFAYKO-GFCCVEGCSA-N 1 0 220.320 0.663 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)N1CCC[C@H]1CO ZINC000042434929 169388251 /nfs/dbraw/zinc/38/82/51/169388251.db2.gz AWDYXBBWMVQBDP-DTWKUNHWSA-N 1 0 200.282 0.097 10 0 BCAERO CCC[C@@H](CCO)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000182386681 169382122 /nfs/dbraw/zinc/38/21/22/169382122.db2.gz GAOGEYRBXAGMHG-QWRGUYRKSA-N 1 0 228.336 0.653 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)N(CC)CC(=O)NCC ZINC000037895312 169386477 /nfs/dbraw/zinc/38/64/77/169386477.db2.gz INYDKYQKNUUWGF-SECBINFHSA-N 1 0 229.324 0.098 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)NCCCNC(=O)C(C)C ZINC000236943514 169389440 /nfs/dbraw/zinc/38/94/40/169389440.db2.gz WFWIXBKJOWAFHE-SNVBAGLBSA-N 1 0 243.351 0.392 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)NCCCO[C@@H]1CCOC1 ZINC000119609765 169389767 /nfs/dbraw/zinc/38/97/67/169389767.db2.gz XFYNZLZQUCPVHO-GHMZBOCLSA-N 1 0 244.335 0.426 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)NC[C@@H](O)COCC(C)C ZINC000182402486 169388962 /nfs/dbraw/zinc/38/89/62/169388962.db2.gz JBMHVYVTOBKIHK-GHMZBOCLSA-N 1 0 246.351 0.264 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)NC[C@H](C)C(=O)OCC ZINC000236957812 169389014 /nfs/dbraw/zinc/38/90/14/169389014.db2.gz XUSBPJSCXPNLAF-DTWKUNHWSA-N 1 0 230.308 0.429 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)NCc1c[nH]nc1C ZINC000038012126 169390552 /nfs/dbraw/zinc/39/05/52/169390552.db2.gz GBKKVJBJWPUDRU-SECBINFHSA-N 1 0 210.281 0.462 10 0 BCAERO Cc1ccccc1C[N@@H+]1C[C@@H](O)C[C@@H]1CO ZINC000179176800 134317837 /nfs/dbraw/zinc/31/78/37/134317837.db2.gz HWDUMFFGKOQKKB-OLZOCXBDSA-N 1 0 221.300 0.923 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)N[C@H](C(=O)OC)C(C)C ZINC000037028561 169391242 /nfs/dbraw/zinc/39/12/42/169391242.db2.gz ZNYVKKPCYXAZNY-BDAKNGLRSA-N 1 0 230.308 0.428 10 0 BCAERO CCC[C@@H]([NH3+])CN1CCn2ccnc2C1 ZINC000062250660 169392545 /nfs/dbraw/zinc/39/25/45/169392545.db2.gz ZPTUYNGLZKZLMZ-SNVBAGLBSA-N 1 0 208.309 0.826 10 0 BCAERO CCC[C@@](C)([NH3+])C(=O)N1CCC(CO)CC1 ZINC000037481326 169449192 /nfs/dbraw/zinc/44/91/92/169449192.db2.gz ALPVHKMVVMYYKW-GFCCVEGCSA-N 1 0 228.336 0.735 10 0 BCAERO CCOC(=O)CCCNC(=O)[C@H]1CCC[C@@H]1[NH3+] ZINC000085376455 134343302 /nfs/dbraw/zinc/34/33/02/134343302.db2.gz TYKFSJBJWUSSKH-UWVGGRQHSA-N 1 0 242.319 0.573 10 0 BCAERO CCC[C@H](C)NC(=O)[C@H](C)N1C[C@H](C)[C@H]([NH3+])C1 ZINC000300049088 169492606 /nfs/dbraw/zinc/49/26/06/169492606.db2.gz PGEZYHKWGGJHDF-FIQHERPVSA-N 1 0 241.379 0.959 10 0 BCAERO C[C@H](O)[C@H]1CC[N@H+](C[C@H](O)COC(C)(C)C)C1 ZINC000183152634 134348846 /nfs/dbraw/zinc/34/88/46/134348846.db2.gz JOCNKZXHGOLZRT-SRVKXCTJSA-N 1 0 245.363 0.865 10 0 BCAERO CCCn1c(=O)[nH]nc1S[C@@H]1CC[NH2+]C1 ZINC000061607048 169614939 /nfs/dbraw/zinc/61/49/39/169614939.db2.gz LVZDRSLJLSJPRY-SSDOTTSWSA-N 1 0 228.321 0.435 10 0 BCAERO CCCn1cc(C(=O)NCCC[NH3+])c(C)n1 ZINC000002538283 169616335 /nfs/dbraw/zinc/61/63/35/169616335.db2.gz KLPBHQQFZVSFCB-UHFFFAOYSA-N 1 0 224.308 0.680 10 0 BCAERO CCCn1ccc(C[NH2+]CCOCCO)c1 ZINC000085605193 169621672 /nfs/dbraw/zinc/62/16/72/169621672.db2.gz FNPGOKRPBGAEIP-UHFFFAOYSA-N 1 0 226.320 0.997 10 0 BCAERO CCN(CCO)C(=O)[C@@H]1CCC[C@@H](CC[NH3+])C1 ZINC000055161039 169849919 /nfs/dbraw/zinc/84/99/19/169849919.db2.gz ZPUPNGNVJIQKCG-NWDGAFQWSA-N 1 0 242.363 0.982 10 0 BCAERO CCN(C(=O)[C@@H]1C[C@@H](OC)C[NH2+]1)C(C)C ZINC000040631519 169650541 /nfs/dbraw/zinc/65/05/41/169650541.db2.gz RWLSVFIAZRRHFT-ZJUUUORDSA-N 1 0 214.309 0.620 10 0 BCAERO Cc1cccc(N(C)CCOCC[NH3+])n1 ZINC000301053585 383879583 /nfs/dbraw/zinc/87/95/83/383879583.db2.gz YNOTYJFLCQIQQN-UHFFFAOYSA-N 1 0 209.293 0.802 10 0 BCAERO C[C@@H]1CCN(C(=O)[C@@H]2C[NH2+]CCOC2)[C@@H]1C ZINC000643731752 383858753 /nfs/dbraw/zinc/85/87/53/383858753.db2.gz XSEDLRALCYDADK-GMTAPVOTSA-N 1 0 226.320 0.479 10 0 BCAERO CO[C@H]1C[NH2+][C@@H](c2nnc3cnccn32)C1 ZINC000035452338 383859841 /nfs/dbraw/zinc/85/98/41/383859841.db2.gz IXJWFCJPPOYTSV-HTQZYQBOSA-N 1 0 219.248 0.174 10 0 BCAERO CN(C)c1nccnc1O[C@@H]1CC[N@H+](C)C1 ZINC000257180609 383862917 /nfs/dbraw/zinc/86/29/17/383862917.db2.gz LIISZORVFICFOF-SECBINFHSA-N 1 0 222.292 0.626 10 0 BCAERO Cc1ccc(NC(=O)[C@@H]2C[NH2+]CCOC2)cn1 ZINC000643774555 383832374 /nfs/dbraw/zinc/83/23/74/383832374.db2.gz FKBGDONRNQAYDI-SNVBAGLBSA-N 1 0 235.287 0.565 10 0 BCAERO O=C(C1CCC1)N1CC2(C1)CC[NH2+]CC2 ZINC000220349550 383885232 /nfs/dbraw/zinc/88/52/32/383885232.db2.gz LXYYGJFUHBJVIR-UHFFFAOYSA-N 1 0 208.305 0.999 10 0 BCAERO COC[C@]1(C(=O)NC[C@@H]2CCCO2)CCC[NH2+]1 ZINC000643614304 383994387 /nfs/dbraw/zinc/99/43/87/383994387.db2.gz QYLWJCOTMVHZDK-JQWIXIFHSA-N 1 0 242.319 0.050 10 0 BCAERO CC[C@H](C)NC(=O)[C@]1(COC)CCC[NH2+]1 ZINC000643613819 383995147 /nfs/dbraw/zinc/99/51/47/383995147.db2.gz DLRVGVKIURTBHH-GXSJLCMTSA-N 1 0 214.309 0.670 10 0 BCAERO CC(C)(C)[C@H](O)Cn1cc(CCC[NH3+])nn1 ZINC000304195724 383952297 /nfs/dbraw/zinc/95/22/97/383952297.db2.gz BHQBFZCLXJPFIT-SNVBAGLBSA-N 1 0 226.324 0.576 10 0 BCAERO C[NH+](C)CCn1cc2[nH]cccc-2c1=O ZINC000089223383 383952994 /nfs/dbraw/zinc/95/29/94/383952994.db2.gz NOWPUHZQQYMGGF-UHFFFAOYSA-N 1 0 205.261 0.599 10 0 BCAERO CCCCN(C)C(=O)[C@H]1C[NH2+]CCOC1 ZINC000643615192 384015884 /nfs/dbraw/zinc/01/58/84/384015884.db2.gz FCRASQLRRJYZBW-JTQLQIEISA-N 1 0 214.309 0.481 10 0 BCAERO C[C@H]1CCCN(C(=O)[C@H]2C[NH2+]CCOC2)C1 ZINC000643614539 384017030 /nfs/dbraw/zinc/01/70/30/384017030.db2.gz BFGLOEACLCYXIY-QWRGUYRKSA-N 1 0 226.320 0.481 10 0 BCAERO CCCCNC(=O)[C@H]1C[NH2+]CCOC1 ZINC000643614810 384017608 /nfs/dbraw/zinc/01/76/08/384017608.db2.gz MEQMEKUYVUGTGQ-VIFPVBQESA-N 1 0 200.282 0.139 10 0 BCAERO c1ncn(CC[NH2+]C[C@H]2CCC=CO2)n1 ZINC000278566767 384021128 /nfs/dbraw/zinc/02/11/28/384021128.db2.gz BZSBPIKJOQXBRZ-SNVBAGLBSA-N 1 0 208.265 0.560 10 0 BCAERO CN(Cc1ccccc1)C(=O)[C@@H]1C[NH2+]CCOC1 ZINC000643614450 384003485 /nfs/dbraw/zinc/00/34/85/384003485.db2.gz YGHLNJVEKYLVIA-CYBMUJFWSA-N 1 0 248.326 0.881 10 0 BCAERO O=C(NCc1cccs1)[C@@H]1C[NH2+]CCOC1 ZINC000643617483 384009997 /nfs/dbraw/zinc/00/99/97/384009997.db2.gz FKVDFIRBTUIIAJ-SECBINFHSA-N 1 0 240.328 0.600 10 0 BCAERO CCCCN(CC)C(=O)[C@H]1C[NH2+]CCOC1 ZINC000643617117 384011500 /nfs/dbraw/zinc/01/15/00/384011500.db2.gz RDJMAZNCRHLCQB-NSHDSACASA-N 1 0 228.336 0.871 10 0 BCAERO COC[C@@]1(C(=O)N[C@@H](C)CCCO)CCC[NH2+]1 ZINC000643704276 384086967 /nfs/dbraw/zinc/08/69/67/384086967.db2.gz OJQDDRIUQUKLJD-CMPLNLGQSA-N 1 0 244.335 0.032 10 0 BCAERO CC(C)N1CC[C@@H](NC[C@@H]2CCC[NH2+]C2)C1=O ZINC000569455978 384062276 /nfs/dbraw/zinc/06/22/76/384062276.db2.gz FRBCNMDBRJBVEB-VXGBXAGGSA-N 1 0 239.363 0.585 10 0 BCAERO CO[C@@H]1C[NH2+]C[C@H]1NC(=O)c1scnc1C ZINC000077480273 384071504 /nfs/dbraw/zinc/07/15/04/384071504.db2.gz BIALZBXUPIXOEY-HTQZYQBOSA-N 1 0 241.316 0.168 10 0 BCAERO CC(C)[C@@H]([NH3+])C(=O)N1CCOC[C@H]1C ZINC000035776597 384101624 /nfs/dbraw/zinc/10/16/24/384101624.db2.gz ZXIMBIIQEZNTSF-RKDXNWHRSA-N 1 0 200.282 0.217 10 0 BCAERO Nc1ncc([C@](O)(C[NH3+])C(F)(F)F)s1 ZINC000039947690 384124460 /nfs/dbraw/zinc/12/44/60/384124460.db2.gz JMMQXMOHKLQRIM-RXMQYKEDSA-N 1 0 227.211 0.434 10 0 BCAERO COC[C@]1(C(=O)N2C[C@H](C)[C@H](C)C2)CCC[NH2+]1 ZINC000643706170 384126470 /nfs/dbraw/zinc/12/64/70/384126470.db2.gz NVVZBBUCNZIFML-LOWVWBTDSA-N 1 0 240.347 0.869 10 0 BCAERO COC(=O)CC[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000116310645 384127139 /nfs/dbraw/zinc/12/71/39/384127139.db2.gz WXGIRWODPCXBRD-JTQLQIEISA-N 1 0 237.303 0.773 10 0 BCAERO Cc1n[nH]cc1C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000070650124 384127568 /nfs/dbraw/zinc/12/75/68/384127568.db2.gz UZVQPLGBXGISBG-SECBINFHSA-N 1 0 222.292 0.494 10 0 BCAERO COC[C@@]1(C(=O)N2CCO[C@H](C)C2)CCC[NH2+]1 ZINC000643624910 384131196 /nfs/dbraw/zinc/13/11/96/384131196.db2.gz GZEVKDXEMAZOOR-ZYHUDNBSSA-N 1 0 242.319 0.002 10 0 BCAERO CN(C[C@@H]1CCC[C@@H]1O)C(=O)[C@@H]1CC[NH2+]C1 ZINC000648167050 384151649 /nfs/dbraw/zinc/15/16/49/384151649.db2.gz QFUHHMDYQWAHPI-VWYCJHECSA-N 1 0 226.320 0.215 10 0 BCAERO C[NH+](C)C[C@H]1CN(C(=O)c2cccnc2)CCO1 ZINC000116784525 384154326 /nfs/dbraw/zinc/15/43/26/384154326.db2.gz AZYBZPSOBCJIDZ-LBPRGKRZSA-N 1 0 249.314 0.484 10 0 BCAERO C[NH+](C)C[C@@H]1CN(C(=O)c2ccncc2)CCO1 ZINC000116792409 384155100 /nfs/dbraw/zinc/15/51/00/384155100.db2.gz XXOMAIWMYSCOBU-GFCCVEGCSA-N 1 0 249.314 0.484 10 0 BCAERO O=C([C@@H]1CC12CC2)N1CC[C@H]2OCC[NH2+][C@H]2C1 ZINC000648136001 384155596 /nfs/dbraw/zinc/15/55/96/384155596.db2.gz HGXQYHUCWCDIBJ-GARJFASQSA-N 1 0 236.315 0.376 10 0 BCAERO CO[C@H]1C[NH2+][C@@H](C(=O)NCC2CCCC2)C1 ZINC000040631645 384157467 /nfs/dbraw/zinc/15/74/67/384157467.db2.gz QGKNXOYQJUAWFA-GHMZBOCLSA-N 1 0 226.320 0.670 10 0 BCAERO Cc1cc(C)nc(N(C)[C@@H]2CC[NH2+]C2)n1 ZINC000070897221 384139742 /nfs/dbraw/zinc/13/97/42/384139742.db2.gz NZMPYJQUTQTWRS-SNVBAGLBSA-N 1 0 206.293 0.892 10 0 BCAERO CC[C@H](C)[C@@H](C[NH2+][C@@H]1CCNC1=O)OC ZINC000642692121 384139936 /nfs/dbraw/zinc/13/99/36/384139936.db2.gz BQEXMSYVQFZSEH-IVZWLZJFSA-N 1 0 214.309 0.526 10 0 BCAERO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC(=O)N[C@H]2C)CO1 ZINC000401853800 384145494 /nfs/dbraw/zinc/14/54/94/384145494.db2.gz XXJNYNHVMKWRDC-XFWSIPNHSA-N 1 0 212.293 0.421 10 0 BCAERO Cn1cncc1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000236074029 384175480 /nfs/dbraw/zinc/17/54/80/384175480.db2.gz WOXMNQPDEVVFJV-ULKQDVFKSA-N 1 0 234.303 0.433 10 0 BCAERO O=C(NC(C1CC1)C1CC1)[C@@H]1C[NH2+]CCOC1 ZINC000643626197 384160727 /nfs/dbraw/zinc/16/07/27/384160727.db2.gz MHSLCSRRJRUCQN-LLVKDONJSA-N 1 0 238.331 0.527 10 0 BCAERO CC(C)[C@H](C)CNC(=O)[C@@H]1C[NH2+]CCOC1 ZINC000643710028 384168983 /nfs/dbraw/zinc/16/89/83/384168983.db2.gz RLULIZQCHNBFPT-GHMZBOCLSA-N 1 0 228.336 0.631 10 0 BCAERO CC(C)[C@@H](C)CNC(=O)[C@H]1C[NH2+]CCOC1 ZINC000643710030 384169108 /nfs/dbraw/zinc/16/91/08/384169108.db2.gz RLULIZQCHNBFPT-QWRGUYRKSA-N 1 0 228.336 0.631 10 0 BCAERO Cn1ccs/c1=N\C(=O)[C@H]1CCC[C@@H]1[NH3+] ZINC000163227219 384180165 /nfs/dbraw/zinc/18/01/65/384180165.db2.gz LQEPMYMRJMEGMR-JDKLRLMGSA-N 1 0 225.317 0.641 10 0 BCAERO Cn1ncc2c1ncnc2N1CC[C@@](C)(C[NH3+])C1 ZINC000236110694 384184138 /nfs/dbraw/zinc/18/41/38/384184138.db2.gz PKCIAXKQNXVQPM-LBPRGKRZSA-N 1 0 246.318 0.538 10 0 BCAERO CC[C@H](COC)NC(=O)[C@@]1(COC)CCC[NH2+]1 ZINC000643629092 384191409 /nfs/dbraw/zinc/19/14/09/384191409.db2.gz MNEWXSSYIVWHKX-PWSUYJOCSA-N 1 0 244.335 0.296 10 0 BCAERO O=C(NCCC(F)(F)F)[C@H]1C[NH2+]CCOC1 ZINC000643629669 384192823 /nfs/dbraw/zinc/19/28/23/384192823.db2.gz VPEMBXCZZLOFIM-ZETCQYMHSA-N 1 0 240.225 0.291 10 0 BCAERO COC[C@@]1(C(=O)N(C)CC(C)C)CCC[NH2+]1 ZINC000643629923 384193932 /nfs/dbraw/zinc/19/39/32/384193932.db2.gz HDAMZTXDPVFFFY-GFCCVEGCSA-N 1 0 228.336 0.869 10 0 BCAERO CN(c1ncncc1Cl)[C@@H]1CC[NH2+]C1 ZINC000163680251 384232137 /nfs/dbraw/zinc/23/21/37/384232137.db2.gz HZNSAMSDCQPCCM-SSDOTTSWSA-N 1 0 212.684 0.928 10 0 BCAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]Cc1ccncc1 ZINC000282327491 384237357 /nfs/dbraw/zinc/23/73/57/384237357.db2.gz LIZFXHQMTXQSBY-GXSJLCMTSA-N 1 0 219.288 0.838 10 0 BCAERO COC[C@]1(C(=O)NC[C@@H]2C[C@H]2C)CCC[NH2+]1 ZINC000643638656 384239299 /nfs/dbraw/zinc/23/92/99/384239299.db2.gz JKFMOXYBSJRNAN-SCVCMEIPSA-N 1 0 226.320 0.527 10 0 BCAERO C[C@@H]1C[C@@H](O)C[N@H+](CCc2cnccn2)C1 ZINC000402900216 384222634 /nfs/dbraw/zinc/22/26/34/384222634.db2.gz HBPFKPHJFBXGOR-ZYHUDNBSSA-N 1 0 221.304 0.722 10 0 BCAERO CCN(CC[NH3+])c1ncccc1S(C)(=O)=O ZINC000167015516 384246109 /nfs/dbraw/zinc/24/61/09/384246109.db2.gz GBTRGLMUNJEHSN-UHFFFAOYSA-N 1 0 243.332 0.270 10 0 BCAERO CNC(=O)CCC[NH2+][C@@H]1CCCC[C@H]1O ZINC000082672478 384256761 /nfs/dbraw/zinc/25/67/61/384256761.db2.gz XIGSEANUQWYADB-NXEZZACHSA-N 1 0 214.309 0.406 10 0 BCAERO CCn1cc(NC(=O)[C@@H]2C[NH2+]CCOC2)cn1 ZINC000643641698 384268429 /nfs/dbraw/zinc/26/84/29/384268429.db2.gz PVXMLRAWIFBYBP-SECBINFHSA-N 1 0 238.291 0.078 10 0 BCAERO [NH3+][C@H](CO)[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000074077820 384273396 /nfs/dbraw/zinc/27/33/96/384273396.db2.gz LXRBJLLDUYVYTH-BDAKNGLRSA-N 1 0 219.643 0.832 10 0 BCAERO [NH3+][C@@H](CO)[C@H](O)c1ccc(Cl)c(F)c1 ZINC000074077824 384273949 /nfs/dbraw/zinc/27/39/49/384273949.db2.gz LXRBJLLDUYVYTH-DTWKUNHWSA-N 1 0 219.643 0.832 10 0 BCAERO C[C@H]1[C@H]([NH3+])CCN1C(=O)c1cncc(F)c1 ZINC000335550885 384320165 /nfs/dbraw/zinc/32/01/65/384320165.db2.gz CUDAEDNSJHRISE-OIBJUYFYSA-N 1 0 223.251 0.782 10 0 BCAERO CCC[C@@H](C)N(C)C(=O)[C@H]1C[NH2+]CCOC1 ZINC000643644736 384278984 /nfs/dbraw/zinc/27/89/84/384278984.db2.gz ZNISOGBJJILIBL-MNOVXSKESA-N 1 0 228.336 0.869 10 0 BCAERO O=[S@@](c1ncc(Cl)cn1)[C@H]1CCC[NH2+]C1 ZINC000095070013 384335487 /nfs/dbraw/zinc/33/54/87/384335487.db2.gz DAMZERZWJYLMML-AYVTZFPOSA-N 1 0 245.735 0.990 10 0 BCAERO O=S(=O)(c1cc(Cl)ncn1)[C@H]1CC[NH2+]C1 ZINC000095070403 384336283 /nfs/dbraw/zinc/33/62/83/384336283.db2.gz IOBUIDQIJCMOLP-LURJTMIESA-N 1 0 247.707 0.266 10 0 BCAERO Clc1nccnc1CN[C@@H]1CC[NH2+]C1 ZINC000095070363 384336389 /nfs/dbraw/zinc/33/63/89/384336389.db2.gz GPOBIGMVMDFDAP-SSDOTTSWSA-N 1 0 212.684 0.582 10 0 BCAERO c1ccc2c(c1)[nH]nc2N1CC[NH2+]CC1 ZINC000000013497 384336720 /nfs/dbraw/zinc/33/67/20/384336720.db2.gz HCNSJWYUKDBQNO-UHFFFAOYSA-N 1 0 202.261 0.973 10 0 BCAERO Clc1nccnc1CNC[C@H]1CC[NH2+]C1 ZINC000095070376 384336732 /nfs/dbraw/zinc/33/67/32/384336732.db2.gz DSRFVALTCSWCRS-QMMMGPOBSA-N 1 0 226.711 0.829 10 0 BCAERO CN(CC(=O)c1ccccn1)[C@@H]1CC[NH2+]C1 ZINC000095070699 384337538 /nfs/dbraw/zinc/33/75/38/384337538.db2.gz QXXRAQUFTMUNEG-SNVBAGLBSA-N 1 0 219.288 0.558 10 0 BCAERO Cc1ccc(N(C)C[C@@H]2CC[NH2+]C2)nn1 ZINC000095071190 384338193 /nfs/dbraw/zinc/33/81/93/384338193.db2.gz DKCJIRPFGMBBQI-SNVBAGLBSA-N 1 0 206.293 0.831 10 0 BCAERO CC[C@H]1CCCN1C(=O)[C@@H]1C[NH2+]CCOC1 ZINC000643652397 384338907 /nfs/dbraw/zinc/33/89/07/384338907.db2.gz NTSKJHGNYJMVEP-MNOVXSKESA-N 1 0 226.320 0.623 10 0 BCAERO CN(CC(=O)c1cnccn1)C[C@@H]1CCC[NH2+]1 ZINC000095071000 384339394 /nfs/dbraw/zinc/33/93/94/384339394.db2.gz LYZDLEZZXXGJAZ-JTQLQIEISA-N 1 0 234.303 0.343 10 0 BCAERO CN(C[C@@H]1CCC[NH2+]1)c1ncccc1O ZINC000095070952 384339475 /nfs/dbraw/zinc/33/94/75/384339475.db2.gz CPGHBGJDVOPRJE-VIFPVBQESA-N 1 0 207.277 0.975 10 0 BCAERO Cc1ccc(N(C)C[C@H]2CCC[NH2+]2)nn1 ZINC000095070911 384339512 /nfs/dbraw/zinc/33/95/12/384339512.db2.gz MXCMQHLOHUHXAK-SNVBAGLBSA-N 1 0 206.293 0.973 10 0 BCAERO CSc1nccc(N[C@@H]2CC[NH2+]C2)n1 ZINC000095071852 384340709 /nfs/dbraw/zinc/34/07/09/384340709.db2.gz DULUISDAFACXFW-SSDOTTSWSA-N 1 0 210.306 0.972 10 0 BCAERO O=S(=O)(C[C@H]1CCC[NH2+]1)c1ncc(F)cn1 ZINC000095071982 384340970 /nfs/dbraw/zinc/34/09/70/384340970.db2.gz BWLYVUMPGZKYEK-MRVPVSSYSA-N 1 0 245.279 0.141 10 0 BCAERO O=S(=O)(c1ncc(F)cn1)C1CC[NH2+]CC1 ZINC000095071978 384342012 /nfs/dbraw/zinc/34/20/12/384342012.db2.gz AGUMFYTXWAKBRQ-UHFFFAOYSA-N 1 0 245.279 0.141 10 0 BCAERO [NH3+][C@H]1CCCN(CC(=O)c2nccs2)C1 ZINC000095072365 384343209 /nfs/dbraw/zinc/34/32/09/384343209.db2.gz QWOCFXVEPLGAEZ-QMMMGPOBSA-N 1 0 225.317 0.749 10 0 BCAERO [NH3+]C[C@H]1CCCN1CC(=O)c1ccc[nH]1 ZINC000095072614 384343454 /nfs/dbraw/zinc/34/34/54/384343454.db2.gz MKIMPCAGWXSQLG-SECBINFHSA-N 1 0 207.277 0.621 10 0 BCAERO [NH3+][C@@H]1CCCC[C@@H]1NCC(=O)c1cnccn1 ZINC000095072266 384343664 /nfs/dbraw/zinc/34/36/64/384343664.db2.gz HYTZHOSFAYNBGC-ZJUUUORDSA-N 1 0 234.303 0.519 10 0 BCAERO O=S(=O)(Cc1ccccn1)[C@@H]1CCC[NH2+]C1 ZINC000095073080 384345092 /nfs/dbraw/zinc/34/50/92/384345092.db2.gz IOPXKOQQBXRTSO-LLVKDONJSA-N 1 0 240.328 0.748 10 0 BCAERO O=S(=O)(Cc1ccncc1)[C@H]1CCC[NH2+]C1 ZINC000095073117 384345845 /nfs/dbraw/zinc/34/58/45/384345845.db2.gz PMYZKJISHMRFJM-NSHDSACASA-N 1 0 240.328 0.748 10 0 BCAERO O=C(CNC[C@H]1CCC[NH2+]C1)c1nccs1 ZINC000095072802 384345952 /nfs/dbraw/zinc/34/59/52/384345952.db2.gz IBKDCKKUFYEJDY-VIFPVBQESA-N 1 0 239.344 0.915 10 0 BCAERO O=C(CNC[C@@H]1CCC[NH2+]1)c1ccccn1 ZINC000095072785 384345995 /nfs/dbraw/zinc/34/59/95/384345995.db2.gz ORFQJHNQXDYYMA-JTQLQIEISA-N 1 0 219.288 0.606 10 0 BCAERO O=C(CNC1CC[NH2+]CC1)c1ccccn1 ZINC000095072764 384346084 /nfs/dbraw/zinc/34/60/84/384346084.db2.gz KSQYFKYXTAFQPU-UHFFFAOYSA-N 1 0 219.288 0.606 10 0 BCAERO O=S(=O)(Cc1ccccn1)[C@H]1CCC[NH2+]C1 ZINC000095073081 384346385 /nfs/dbraw/zinc/34/63/85/384346385.db2.gz IOPXKOQQBXRTSO-NSHDSACASA-N 1 0 240.328 0.748 10 0 BCAERO O=[S@](Cc1ccccn1)[C@@H]1CC[NH2+]C1 ZINC000095073424 384347164 /nfs/dbraw/zinc/34/71/64/384347164.db2.gz IGYXCHJBYZUTJQ-YGRLFVJLSA-N 1 0 210.302 0.692 10 0 BCAERO O=[S@@](Cc1ccncc1)[C@@H]1CC[NH2+]C1 ZINC000095073445 384347472 /nfs/dbraw/zinc/34/74/72/384347472.db2.gz DLVGQBOIJZCMOM-QMTHXVAHSA-N 1 0 210.302 0.692 10 0 BCAERO O=[S@@](C[C@@H]1CCCC[NH2+]1)c1cnccn1 ZINC000095073484 384347910 /nfs/dbraw/zinc/34/79/10/384347910.db2.gz USPYDELWAIMORL-BJOHPYRUSA-N 1 0 225.317 0.726 10 0 BCAERO COC[C@@H]([NH3+])C(=O)Nc1ccc2[nH]c(C)nc2c1 ZINC000159686719 384348105 /nfs/dbraw/zinc/34/81/05/384348105.db2.gz UWNWMOGAUKBHLD-SECBINFHSA-N 1 0 248.286 0.784 10 0 BCAERO O=S(=O)(C[C@H]1CCC[NH2+]1)c1ccccn1 ZINC000095073172 384348524 /nfs/dbraw/zinc/34/85/24/384348524.db2.gz NKZHRKLPGDCOSB-SECBINFHSA-N 1 0 226.301 0.607 10 0 BCAERO O=[S@@](C[C@@H]1CCC[NH2+]1)c1cnccn1 ZINC000095073544 384348616 /nfs/dbraw/zinc/34/86/16/384348616.db2.gz CHCREXINEMTSFA-RMLUDKJBSA-N 1 0 211.290 0.336 10 0 BCAERO O=S(=O)(Cc1ccccn1)C[C@H]1CCC[NH2+]1 ZINC000095073190 384348795 /nfs/dbraw/zinc/34/87/95/384348795.db2.gz QTKATWTZQMGQLK-LLVKDONJSA-N 1 0 240.328 0.748 10 0 BCAERO COC[C@@]1(C(=O)NC[C@@H](C)C2CC2)CCC[NH2+]1 ZINC000643657926 384375085 /nfs/dbraw/zinc/37/50/85/384375085.db2.gz IZKFBKXOTKNLHW-ZWNOBZJWSA-N 1 0 240.347 0.917 10 0 BCAERO O=[S@@](Cc1ccccn1)C[C@@H]1CC[NH2+]C1 ZINC000095073689 384350161 /nfs/dbraw/zinc/35/01/61/384350161.db2.gz IONLBQQPNWICFZ-BMIGLBTASA-N 1 0 224.329 0.940 10 0 BCAERO C[C@@H]1C[C@@H](O)C[N@H+](CCc2ccnn2C)C1 ZINC000335590490 384354611 /nfs/dbraw/zinc/35/46/11/384354611.db2.gz OKSBDEKTTTYKOF-ZYHUDNBSSA-N 1 0 223.320 0.665 10 0 BCAERO N[C@H](C(=O)OCc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000095079051 384355113 /nfs/dbraw/zinc/35/51/13/384355113.db2.gz JVSDVQDOVLBDSZ-RYUDHWBXSA-N 1 0 234.299 0.809 10 0 BCAERO c1cnc(CNC[C@@H]2CCC[NH2+]C2)cn1 ZINC000095092653 384362781 /nfs/dbraw/zinc/36/27/81/384362781.db2.gz IGKBBMVBHLWLHT-SNVBAGLBSA-N 1 0 206.293 0.566 10 0 BCAERO Cc1cnc([S@](=O)[C@@H]2CC[NH2+]C2)nc1Cl ZINC000095068699 384329142 /nfs/dbraw/zinc/32/91/42/384329142.db2.gz VPXZYWWDLITAEW-MLXNANBUSA-N 1 0 245.735 0.908 10 0 BCAERO Cn1nccc1[C@@H]1[C@H]([NH3+])CCC(=O)N1C1CC1 ZINC000159921758 384373091 /nfs/dbraw/zinc/37/30/91/384373091.db2.gz XZNZJLISMARZCN-SKDRFNHKSA-N 1 0 234.303 0.573 10 0 BCAERO C[C@@H](N[C@@H]1CCC[NH2+]C1)c1cnccn1 ZINC000095068245 384329917 /nfs/dbraw/zinc/32/99/17/384329917.db2.gz ZPHCZTCPPNNFLH-NXEZZACHSA-N 1 0 206.293 0.879 10 0 BCAERO Cc1cc(C)nc(S(=O)(=O)[C@H]2CC[NH2+]C2)n1 ZINC000095068834 384332262 /nfs/dbraw/zinc/33/22/62/384332262.db2.gz OUYNKENLYLFCKL-VIFPVBQESA-N 1 0 241.316 0.229 10 0 BCAERO Cc1ccc(S(=O)(=O)[C@@H]2CCC[NH2+]C2)nn1 ZINC000095069072 384332349 /nfs/dbraw/zinc/33/23/49/384332349.db2.gz VFOMYXCLFFWLGM-SECBINFHSA-N 1 0 241.316 0.311 10 0 BCAERO Cc1ccnc([S@](=O)C[C@@H]2CC[NH2+]C2)n1 ZINC000095069293 384332522 /nfs/dbraw/zinc/33/25/22/384332522.db2.gz MFWCXQNJDGFQHA-PSLIRLAXSA-N 1 0 225.317 0.502 10 0 BCAERO Cc1ccnc(S(=O)(=O)C[C@@H]2CC[NH2+]C2)n1 ZINC000095069244 384332644 /nfs/dbraw/zinc/33/26/44/384332644.db2.gz CXXWTZRGILTKHH-SECBINFHSA-N 1 0 241.316 0.168 10 0 BCAERO Cc1ccnc([S@](=O)[C@@H]2CCC[NH2+]C2)n1 ZINC000095069275 384332764 /nfs/dbraw/zinc/33/27/64/384332764.db2.gz QPAXBWMXCYRFJY-PSLIRLAXSA-N 1 0 225.317 0.645 10 0 BCAERO Cc1ccc(S(=O)(=O)C[C@@H]2CC[NH2+]C2)nn1 ZINC000095069081 384332872 /nfs/dbraw/zinc/33/28/72/384332872.db2.gz YDSJFKLWPQHVCC-SECBINFHSA-N 1 0 241.316 0.168 10 0 BCAERO Cc1ccnc([S@@](=O)[C@H]2CCC[NH2+]C2)n1 ZINC000095069276 384332976 /nfs/dbraw/zinc/33/29/76/384332976.db2.gz QPAXBWMXCYRFJY-BJOHPYRUSA-N 1 0 225.317 0.645 10 0 BCAERO Cc1ccnc([S@](=O)[C@@H]2CC[NH2+]C2)c1 ZINC000095069206 384333093 /nfs/dbraw/zinc/33/30/93/384333093.db2.gz NLLJUAIFKAYKIK-OTYXRUKQSA-N 1 0 210.302 0.860 10 0 BCAERO O=[S@](c1ccc(Cl)nn1)C1CC[NH2+]CC1 ZINC000095069950 384334478 /nfs/dbraw/zinc/33/44/78/384334478.db2.gz QVLOQTGYFHVFRF-OAHLLOKOSA-N 1 0 245.735 0.990 10 0 BCAERO C[C@H]1C[NH2+]CCN1c1ncc(Cl)cn1 ZINC000095069572 384334564 /nfs/dbraw/zinc/33/45/64/384334564.db2.gz DPQQITRXDHNWCD-ZETCQYMHSA-N 1 0 212.684 0.928 10 0 BCAERO Clc1nccc(CNC[C@@H]2CC[NH2+]C2)n1 ZINC000095070140 384334686 /nfs/dbraw/zinc/33/46/86/384334686.db2.gz IUWGCSXKNKBVDK-MRVPVSSYSA-N 1 0 226.711 0.829 10 0 BCAERO O=[S@@](C[C@@H]1CC[NH2+]C1)c1ncc(Cl)cn1 ZINC000095070028 384334723 /nfs/dbraw/zinc/33/47/23/384334723.db2.gz RIWRGBZPWAAMRX-KWKYVRJSSA-N 1 0 245.735 0.847 10 0 BCAERO O=[S@@](c1ccnc(Cl)n1)[C@H]1CCC[NH2+]C1 ZINC000095070099 384334962 /nfs/dbraw/zinc/33/49/62/384334962.db2.gz JAHIGFMTPNRORZ-ZIDLFYJRSA-N 1 0 245.735 0.990 10 0 BCAERO O=S(=O)(C1C[NH2+]C1)N1CCc2ccccc21 ZINC000095882036 384404486 /nfs/dbraw/zinc/40/44/86/384404486.db2.gz QXQLKGNARUPODE-UHFFFAOYSA-N 1 0 238.312 0.351 10 0 BCAERO O=C(C1=COc2ccccc2O1)N1CC[NH2+]CC1 ZINC000095930960 384409846 /nfs/dbraw/zinc/40/98/46/384409846.db2.gz ZUUFVQYTAKFELW-UHFFFAOYSA-N 1 0 246.266 0.731 10 0 BCAERO CC(C)(C)OC(=O)[C@H](N)CC(C)(C)[NH3+] ZINC000095930123 384410682 /nfs/dbraw/zinc/41/06/82/384410682.db2.gz SMFDAUDBYARXCJ-SSDOTTSWSA-N 1 0 202.298 0.783 10 0 BCAERO COc1c(C[NH2+]CC[C@H](C)O)c(C)nn1C ZINC000135062611 384410693 /nfs/dbraw/zinc/41/06/93/384410693.db2.gz YKBHINYVNQJDLU-QMMMGPOBSA-N 1 0 227.308 0.598 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N[C@H]1CCO[C@H](C)C1 ZINC000233354402 384426879 /nfs/dbraw/zinc/42/68/79/384426879.db2.gz HDXQSPUJIBHROD-UTLUCORTSA-N 1 0 214.309 0.798 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)[C@H]1CCCO1 ZINC000166389053 384417568 /nfs/dbraw/zinc/41/75/68/384417568.db2.gz LKPIJOGNVKPXHW-IVZWLZJFSA-N 1 0 212.293 0.409 10 0 BCAERO CCN1CCC[C@@H]([NH2+]Cc2cncn2C)C1 ZINC000082394414 384421038 /nfs/dbraw/zinc/42/10/38/384421038.db2.gz KHUXLPWADRBCIL-LLVKDONJSA-N 1 0 222.336 0.994 10 0 BCAERO CC(C)C(C)(C)NC(=O)[C@@H]1C[NH2+]CCOC1 ZINC000643663306 384423716 /nfs/dbraw/zinc/42/37/16/384423716.db2.gz WWXAGOZIPFMVQH-SNVBAGLBSA-N 1 0 228.336 0.773 10 0 BCAERO CC(C)NC(=O)C[N@H+](C)[C@H]1CCC[C@@H]1O ZINC000078480124 384448450 /nfs/dbraw/zinc/44/84/50/384448450.db2.gz NURPZZLGVYDWDS-UWVGGRQHSA-N 1 0 214.309 0.356 10 0 BCAERO COC(=O)c1cccc2c1OC[C@H]([NH3+])C2 ZINC000016083011 384450164 /nfs/dbraw/zinc/45/01/64/384450164.db2.gz URDHIEIMMKNXPA-MRVPVSSYSA-N 1 0 207.229 0.735 10 0 BCAERO CC[C@]1(C)CCN(C(=O)[C@@H]2C[NH2+]CCOC2)C1 ZINC000643724943 384453980 /nfs/dbraw/zinc/45/39/80/384453980.db2.gz FJVBJCGRFMNYFW-DGCLKSJQSA-N 1 0 240.347 0.871 10 0 BCAERO CN(CC1CCCC1)C(=O)[C@H]1C[NH2+]CCOC1 ZINC000643667754 384455041 /nfs/dbraw/zinc/45/50/41/384455041.db2.gz OWIQIXXQKDFXOR-LBPRGKRZSA-N 1 0 240.347 0.871 10 0 BCAERO CN(CC1CCCC1)C(=O)[C@@H]1C[NH2+]CCOC1 ZINC000643667753 384455449 /nfs/dbraw/zinc/45/54/49/384455449.db2.gz OWIQIXXQKDFXOR-GFCCVEGCSA-N 1 0 240.347 0.871 10 0 BCAERO CC[N@@H+]1CCC[C@H]1CN(C)S(=O)(=O)N(C)C ZINC000175398425 384438292 /nfs/dbraw/zinc/43/82/92/384438292.db2.gz QXFCHHBUKZJSQF-JTQLQIEISA-N 1 0 249.380 0.209 10 0 BCAERO COc1ccnc(N2C[C@@H]([NH3+])C[C@@H]2C)n1 ZINC000385211406 384464543 /nfs/dbraw/zinc/46/45/43/384464543.db2.gz XEQNMQKJMNXPRT-YUMQZZPRSA-N 1 0 208.265 0.411 10 0 BCAERO C[C@@H]1CC[C@@H](C(=O)N2CC[NH2+]C(C)(C)C2)O1 ZINC000148963884 384474803 /nfs/dbraw/zinc/47/48/03/384474803.db2.gz JYECORJCEDTXAR-ZJUUUORDSA-N 1 0 226.320 0.764 10 0 BCAERO [NH3+]CCS(=O)(=O)Nc1ccccc1F ZINC000011584704 384477794 /nfs/dbraw/zinc/47/77/94/384477794.db2.gz GYAUUXVUYUVRMW-UHFFFAOYSA-N 1 0 218.253 0.526 10 0 BCAERO COC[C@@]1(C(=O)N[C@H]2CC23CC3)CCC[NH2+]1 ZINC000643839238 384510399 /nfs/dbraw/zinc/51/03/99/384510399.db2.gz GHUPFFXDZXWNRC-JOYOIKCWSA-N 1 0 224.304 0.424 10 0 BCAERO C[C@@H]1CCCCN(C(=O)[C@@H]2C[NH2+]CCOC2)C1 ZINC000643793906 384516295 /nfs/dbraw/zinc/51/62/95/384516295.db2.gz IJYOQXLBTZEKPD-VXGBXAGGSA-N 1 0 240.347 0.871 10 0 BCAERO CCOc1cncc(N2C[C@H]([NH3+])[C@@H](C)C2)n1 ZINC000233796772 384521236 /nfs/dbraw/zinc/52/12/36/384521236.db2.gz HWNKABXGGMBICS-IUCAKERBSA-N 1 0 222.292 0.659 10 0 BCAERO COc1cc(NC[C@H]([NH3+])C(C)C)ncn1 ZINC000085481400 384527486 /nfs/dbraw/zinc/52/74/86/384527486.db2.gz XHXDXNHJSRPWIN-QMMMGPOBSA-N 1 0 210.281 0.880 10 0 BCAERO CNC(=O)[C@H]([NH2+]CCCCCO)C(C)C ZINC000183635768 384539404 /nfs/dbraw/zinc/53/94/04/384539404.db2.gz SLKPOTSZSPIJJA-SNVBAGLBSA-N 1 0 216.325 0.509 10 0 BCAERO C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)CN2CCCCC2)CO1 ZINC000402200735 384570344 /nfs/dbraw/zinc/57/03/44/384570344.db2.gz GUUAFCFVKMXYLZ-JHJVBQTASA-N 1 0 242.363 0.600 10 0 BCAERO O=C(NC[C@H]1CC[NH2+]C1)Nc1cccnc1 ZINC000258385882 384573598 /nfs/dbraw/zinc/57/35/98/384573598.db2.gz HNCRQHRFCQEDDP-VIFPVBQESA-N 1 0 220.276 0.813 10 0 BCAERO Cc1nc(C)c(CNC(=O)[C@@H]2C[NH2+]C[C@H]2C)o1 ZINC000336133688 384577513 /nfs/dbraw/zinc/57/75/13/384577513.db2.gz DORASHZVXWNZOO-GMSGAONNSA-N 1 0 237.303 0.763 10 0 BCAERO CO[C@H](C)C(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000163821194 384578442 /nfs/dbraw/zinc/57/84/42/384578442.db2.gz GIKTUNFQLJXZKY-YIZRAAEISA-N 1 0 200.282 0.278 10 0 BCAERO [NH3+]C[C@@H]1CO[C@H]([C@@H]2CCCSC2)O1 ZINC000258413539 384584554 /nfs/dbraw/zinc/58/45/54/384584554.db2.gz DGSTXVRARFVKFY-HLTSFMKQSA-N 1 0 203.307 0.830 10 0 BCAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]CC[C@@H]1CCCO1 ZINC000309798210 384610619 /nfs/dbraw/zinc/61/06/19/384610619.db2.gz QQRPTOPJJAJYKK-DCAQKATOSA-N 1 0 226.320 0.812 10 0 BCAERO [NH3+]C[C@@H]1CCN(CC(=O)c2ccco2)C1 ZINC000050250148 384610904 /nfs/dbraw/zinc/61/09/04/384610904.db2.gz MYLYUXLZZHBMRG-VIFPVBQESA-N 1 0 208.261 0.743 10 0 BCAERO Cc1cc(C)nc(N2CC[C@@H](C[NH3+])C2)n1 ZINC000050249582 384611330 /nfs/dbraw/zinc/61/13/30/384611330.db2.gz OPPJJAQUNLVRHW-JTQLQIEISA-N 1 0 206.293 0.878 10 0 BCAERO [NH3+]C[C@H]1CCN(c2ccc(Cl)nn2)C1 ZINC000050249462 384612408 /nfs/dbraw/zinc/61/24/08/384612408.db2.gz TXMMOWDSQLDRTP-SSDOTTSWSA-N 1 0 212.684 0.915 10 0 BCAERO NC(=O)[C@@H](C[NH3+])Cc1c(F)cccc1F ZINC000020579845 384624653 /nfs/dbraw/zinc/62/46/53/384624653.db2.gz SCACCQQBVYNPQM-ZCFIWIBFSA-N 1 0 214.215 0.568 10 0 BCAERO OCc1ccc(C[NH2+]CC2CC(O)C2)o1 ZINC000084447089 384625013 /nfs/dbraw/zinc/62/50/13/384625013.db2.gz VKDCQRCOLOAARJ-UHFFFAOYSA-N 1 0 211.261 0.632 10 0 BCAERO COC[C@@H](C)C(=O)NCC[NH+]1CCCCC1 ZINC000103430607 384627047 /nfs/dbraw/zinc/62/70/47/384627047.db2.gz ZIMRRIUPOZOFPW-LLVKDONJSA-N 1 0 228.336 0.871 10 0 BCAERO COc1cccc(C[NH2+]CC2CC(O)C2)n1 ZINC000084448568 384628027 /nfs/dbraw/zinc/62/80/27/384628027.db2.gz LUHFGAHHGHFWPB-UHFFFAOYSA-N 1 0 222.288 0.951 10 0 BCAERO [NH3+]C[C@H]1CC[C@]2(CC[N@H+](CC(=O)[O-])C2)C1 ZINC000100279299 384630938 /nfs/dbraw/zinc/63/09/38/384630938.db2.gz JUOYGIFQPIJBAF-ONGXEEELSA-N 1 0 212.293 0.522 10 0 BCAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]Cc1cnn(C)c1 ZINC000309769876 384599425 /nfs/dbraw/zinc/59/94/25/384599425.db2.gz KFFYISYFIYBSNV-WCBMZHEXSA-N 1 0 222.292 0.177 10 0 BCAERO [NH3+]C[C@@H](c1ccsc1)N1CC[C@H](O)C1 ZINC000061709804 384669620 /nfs/dbraw/zinc/66/96/20/384669620.db2.gz IHMGXVSOKKMRBI-UWVGGRQHSA-N 1 0 212.318 0.815 10 0 BCAERO CC[N@H+](CC(C)C)C[C@@H](O)CN1CCCC1=O ZINC000171883221 384670367 /nfs/dbraw/zinc/67/03/67/384670367.db2.gz COKRGNWPENCVBS-GFCCVEGCSA-N 1 0 242.363 0.948 10 0 BCAERO CC[N@H+](CC(C)C)C[C@H](O)CN1CCCC1=O ZINC000171883220 384670869 /nfs/dbraw/zinc/67/08/69/384670869.db2.gz COKRGNWPENCVBS-LBPRGKRZSA-N 1 0 242.363 0.948 10 0 BCAERO CC1(C)NC(=O)CC[C@H]1[NH2+]Cc1cnc[nH]1 ZINC000309815712 384644274 /nfs/dbraw/zinc/64/42/74/384644274.db2.gz VHZRGFHGRQCCAU-SECBINFHSA-N 1 0 222.292 0.557 10 0 BCAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]CCOCC(F)F ZINC000309829427 384647684 /nfs/dbraw/zinc/64/76/84/384647684.db2.gz YDIRTHANHSGLIQ-JGVFFNPUSA-N 1 0 236.262 0.525 10 0 BCAERO C[NH+](C)[C@H]1CC[C@@H](NC(=O)CC(C)(C)O)C1 ZINC000337151935 384655629 /nfs/dbraw/zinc/65/56/29/384655629.db2.gz MBZGXIKIGFISJI-ZJUUUORDSA-N 1 0 228.336 0.746 10 0 BCAERO Cc1cc(C(=O)N[C@H]2CC[C@@H]([NH+](C)C)C2)cnn1 ZINC000337153396 384655800 /nfs/dbraw/zinc/65/58/00/384655800.db2.gz NHAKHQCACUWPSX-NWDGAFQWSA-N 1 0 248.330 0.998 10 0 BCAERO COC[C@@H](C)C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000104184488 384656818 /nfs/dbraw/zinc/65/68/18/384656818.db2.gz WBRZTXHVTXYWDU-NXEZZACHSA-N 1 0 214.309 0.337 10 0 BCAERO O=S1(=O)CC([NH2+]C2CCSCC2)C1 ZINC000258780889 384662416 /nfs/dbraw/zinc/66/24/16/384662416.db2.gz FXRBDBDYGLXIKZ-UHFFFAOYSA-N 1 0 221.347 0.269 10 0 BCAERO C[C@H]1C[C@@H](O)C[N@H+](CCc2cn[nH]c2)C1 ZINC000334797658 384723407 /nfs/dbraw/zinc/72/34/07/384723407.db2.gz JIBKMAGDJNZFTH-GXSJLCMTSA-N 1 0 209.293 0.655 10 0 BCAERO O=C1NC[C@@H](C[N@H+]2CCC[C@@H]2CCCO)O1 ZINC000052762773 384724039 /nfs/dbraw/zinc/72/40/39/384724039.db2.gz WVUNRDPMPRXSIS-ZJUUUORDSA-N 1 0 228.292 0.332 10 0 BCAERO O=C1NC[C@@H](C[N@H+]2CCCC[C@H]2CCO)O1 ZINC000049957283 384689572 /nfs/dbraw/zinc/68/95/72/384689572.db2.gz LEXVYOZUGCLAQW-UWVGGRQHSA-N 1 0 228.292 0.332 10 0 BCAERO CCC[C@H]([NH3+])C(=O)NC[C@@H](C)C(=O)OC(C)C ZINC000236864412 384691647 /nfs/dbraw/zinc/69/16/47/384691647.db2.gz NCCZJNKVXXTWGX-ZJUUUORDSA-N 1 0 244.335 0.818 10 0 BCAERO CCC[C@H](O)CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000086933254 384721946 /nfs/dbraw/zinc/72/19/46/384721946.db2.gz CDLHOIKLIFYTIX-NEPJUHHUSA-N 1 0 212.337 0.927 10 0 BCAERO C[C@H](NC(=O)C1(C)C[NH2+]C1)[C@@H]1CCCO1 ZINC000335039122 384777674 /nfs/dbraw/zinc/77/76/74/384777674.db2.gz MFTMRCVTPFSKHW-IUCAKERBSA-N 1 0 212.293 0.280 10 0 BCAERO C[NH2+]C1(CNC(=O)[C@]2(OC)CCOC2)CCC1 ZINC000402370768 384730622 /nfs/dbraw/zinc/73/06/22/384730622.db2.gz GVPJWIMCFFXIMF-LBPRGKRZSA-N 1 0 242.319 0.050 10 0 BCAERO C[C@@H]1C[C@@H](O)C[N@H+](CC(=O)NC(C)(C)C)C1 ZINC000334825205 384739209 /nfs/dbraw/zinc/73/92/09/384739209.db2.gz FOKCUXVRQMHSGA-NXEZZACHSA-N 1 0 228.336 0.604 10 0 BCAERO COc1nc(C)nc(N[C@H](C)C[NH3+])c1C ZINC000107211532 384780214 /nfs/dbraw/zinc/78/02/14/384780214.db2.gz QOEXZQJXGHZDQC-ZCFIWIBFSA-N 1 0 210.281 0.861 10 0 BCAERO Cc1nn(C)cc1C[NH2+]C[C@@H]1CCC[C@@H]1O ZINC000126060715 384770149 /nfs/dbraw/zinc/77/01/49/384770149.db2.gz UCCFILHHCLRBMV-JQWIXIFHSA-N 1 0 223.320 0.979 10 0 BCAERO CC[N@@H+]1CC[C@@H](NC(=O)c2cncc(O)c2)C1 ZINC000390027676 384823510 /nfs/dbraw/zinc/82/35/10/384823510.db2.gz XZVFKGLKTDQUKN-SNVBAGLBSA-N 1 0 235.287 0.611 10 0 BCAERO C[C@@H](O)CCC[N@@H+]1CC[C@H](CCO)C1 ZINC000308587146 384824762 /nfs/dbraw/zinc/82/47/62/384824762.db2.gz SNZBHFUKXCWCGN-GHMZBOCLSA-N 1 0 201.310 0.852 10 0 BCAERO COC[C@H](C)[NH2+][C@@H]1CCc2nccn2C1 ZINC000375876892 384827084 /nfs/dbraw/zinc/82/70/84/384827084.db2.gz REMXPJPDNBSESZ-VHSXEESVSA-N 1 0 209.293 0.822 10 0 BCAERO CN(c1cccnn1)C1CC[NH+](CCO)CC1 ZINC000174740075 384832481 /nfs/dbraw/zinc/83/24/81/384832481.db2.gz KUGZGIGLIZQTLI-UHFFFAOYSA-N 1 0 236.319 0.370 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N[C@H](C)CO[C@@H]1CCOC1 ZINC000236918854 384832505 /nfs/dbraw/zinc/83/25/05/384832505.db2.gz JPTLZPAKKGFOBW-MXWKQRLJSA-N 1 0 244.335 0.424 10 0 BCAERO CN(C(=O)[C@H]1C[NH2+]CCOC1)C(C)(C)C ZINC000648204040 384833498 /nfs/dbraw/zinc/83/34/98/384833498.db2.gz PJLSKPADHQBJNV-VIFPVBQESA-N 1 0 214.309 0.479 10 0 BCAERO Cc1nsc(N(C)CCOCC[NH3+])n1 ZINC000301017681 384833550 /nfs/dbraw/zinc/83/35/50/384833550.db2.gz IKXOJLXOCDTOHE-UHFFFAOYSA-N 1 0 216.310 0.258 10 0 BCAERO C[C@@H]1C[C@@H](O)C[N@H+](Cc2ccc(C(N)=O)cc2)C1 ZINC000334746893 384782716 /nfs/dbraw/zinc/78/27/16/384782716.db2.gz SGOJXZLPDLCZMM-ZWNOBZJWSA-N 1 0 248.326 0.988 10 0 BCAERO Cc1csc(Cc2n[nH]c(C[NH3+])n2)n1 ZINC000061843803 384789199 /nfs/dbraw/zinc/78/91/99/384789199.db2.gz VMCQXHANVAHBGX-UHFFFAOYSA-N 1 0 209.278 0.619 10 0 BCAERO COC(C)(C)C[C@H](C)[NH2+]C(CO)CO ZINC000083689812 384793271 /nfs/dbraw/zinc/79/32/71/384793271.db2.gz OPVFVEUOMCGDSD-QMMMGPOBSA-N 1 0 205.298 0.133 10 0 BCAERO CC[C@H]([NH2+]C[C@H]1CCO[C@H]1C(C)C)C(N)=O ZINC000310032002 384799417 /nfs/dbraw/zinc/79/94/17/384799417.db2.gz RITNWZRYPARBIO-VWYCJHECSA-N 1 0 228.336 0.901 10 0 BCAERO COC[C@H]([NH3+])C(=O)NC[C@@H](C)CC(F)F ZINC000648194066 384812346 /nfs/dbraw/zinc/81/23/46/384812346.db2.gz RVGQLJDTZXZBLL-BQBZGAKWSA-N 1 0 224.251 0.368 10 0 BCAERO COC[C@H](C)[NH2+][C@H]1CCC(=O)N[C@@H]1C ZINC000308626597 384875888 /nfs/dbraw/zinc/87/58/88/384875888.db2.gz WWKZRYSLSIVGQM-YIZRAAEISA-N 1 0 200.282 0.278 10 0 BCAERO O=C1CC[NH2+]CCN1C[C@H]1CCCCO1 ZINC000258204096 384882781 /nfs/dbraw/zinc/88/27/81/384882781.db2.gz PYFDPEOZPNGMJY-SNVBAGLBSA-N 1 0 212.293 0.377 10 0 BCAERO CCC1(CNC(=O)[C@H]2C[NH2+]CCOC2)CCC1 ZINC000643689640 384838860 /nfs/dbraw/zinc/83/88/60/384838860.db2.gz MPYDVLNHSPWYSU-NSHDSACASA-N 1 0 240.347 0.919 10 0 BCAERO CCC1(CNC(=O)[C@H]2C[NH2+]CCOC2)CC1 ZINC000643690006 384839671 /nfs/dbraw/zinc/83/96/71/384839671.db2.gz UTHMWZFWTGHWHM-JTQLQIEISA-N 1 0 226.320 0.529 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N1CCC[C@@H](COC)C1 ZINC000225442281 384851557 /nfs/dbraw/zinc/85/15/57/384851557.db2.gz JEYHDMZJUWLVCH-MNOVXSKESA-N 1 0 228.336 0.999 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N1CCC[C@H](COC)C1 ZINC000225442313 384852383 /nfs/dbraw/zinc/85/23/83/384852383.db2.gz JEYHDMZJUWLVCH-QWRGUYRKSA-N 1 0 228.336 0.999 10 0 BCAERO Nn1cnnc1SC[C@@H]1CCCC[NH2+]1 ZINC000043495467 384854164 /nfs/dbraw/zinc/85/41/64/384854164.db2.gz JFZPKWYBUNAKMF-ZETCQYMHSA-N 1 0 213.310 0.226 10 0 BCAERO C[C@H](O)[C@H]1CCC[N@H+](C[C@@H]2CNC(=O)O2)C1 ZINC000497198184 384857405 /nfs/dbraw/zinc/85/74/05/384857405.db2.gz WDOBFMNHPQDLLD-GUBZILKMSA-N 1 0 228.292 0.188 10 0 BCAERO Cc1c(CN2CC[NH2+][C@@H](C)[C@H]2C)cnn1C ZINC000336054593 384863247 /nfs/dbraw/zinc/86/32/47/384863247.db2.gz JBNGEGBSIZKSGR-VHSXEESVSA-N 1 0 222.336 0.911 10 0 BCAERO CN(CC[NH3+])c1cc(N2CCCC2)ncn1 ZINC000259059752 384951501 /nfs/dbraw/zinc/95/15/01/384951501.db2.gz WLCROKJNLSTFBD-UHFFFAOYSA-N 1 0 221.308 0.472 10 0 BCAERO CN(CC[NH3+])c1cc(NC2CC2)ncn1 ZINC000259069851 384952478 /nfs/dbraw/zinc/95/24/78/384952478.db2.gz XEEZRVDCRGLXHR-UHFFFAOYSA-N 1 0 207.281 0.446 10 0 BCAERO COC(=O)CN1CCC[C@H](n2cncn2)C1 ZINC000105923129 384890359 /nfs/dbraw/zinc/89/03/59/384890359.db2.gz MPSNRDAEKICZII-VIFPVBQESA-N 1 0 224.264 0.088 10 0 BCAERO Cc1nccc(N2CC[C@@H]3OCC[NH2+][C@H]3C2)n1 ZINC000404081457 384896433 /nfs/dbraw/zinc/89/64/33/384896433.db2.gz SMWAOQFOEMREFA-QWRGUYRKSA-N 1 0 234.303 0.352 10 0 BCAERO Cc1cc(N2CC[C@H]3OCC[NH2+][C@H]3C2)nc(C)n1 ZINC000404092943 384897809 /nfs/dbraw/zinc/89/78/09/384897809.db2.gz UYHOLRARTAZFQC-NWDGAFQWSA-N 1 0 248.330 0.661 10 0 BCAERO CC(C)NC(=O)N1CC[C@H]2OCC[NH2+][C@@H]2C1 ZINC000404115736 384900388 /nfs/dbraw/zinc/90/03/88/384900388.db2.gz CCHYUFAVVIOSJY-NXEZZACHSA-N 1 0 227.308 0.167 10 0 BCAERO Cc1nocc1C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000402525420 384907543 /nfs/dbraw/zinc/90/75/43/384907543.db2.gz HBLMGVZRCBEGSH-NGZCFLSTSA-N 1 0 235.287 0.792 10 0 BCAERO C[NH+](C)C[C@H]1CN(C(=O)C2CC=CC2)CCO1 ZINC000152026505 384913521 /nfs/dbraw/zinc/91/35/21/384913521.db2.gz QGVUGWPNDPJKCZ-LBPRGKRZSA-N 1 0 238.331 0.742 10 0 BCAERO CC[C@@H]([NH3+])[C@@H](N)C(=O)OCc1ccccc1 ZINC000149006990 384914293 /nfs/dbraw/zinc/91/42/93/384914293.db2.gz QJJOBYUZKUUIBS-GHMZBOCLSA-N 1 0 222.288 0.794 10 0 BCAERO CC(C)(C)[C@H](O)C[NH2+]C1(C(N)=O)CC1 ZINC000308678296 384915975 /nfs/dbraw/zinc/91/59/75/384915975.db2.gz WXFHWOCDWBPERU-SSDOTTSWSA-N 1 0 200.282 0.001 10 0 BCAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]CC(C)(C)O ZINC000306426643 384942066 /nfs/dbraw/zinc/94/20/66/384942066.db2.gz KNVVFNYKWKWCCJ-YUMQZZPRSA-N 1 0 200.282 0.014 10 0 BCAERO Cc1cncc(CN2CC[C@@H]3OCC[NH2+][C@H]3C2)c1 ZINC000404179476 384947549 /nfs/dbraw/zinc/94/75/49/384947549.db2.gz BONARVCICRPGBW-KBPBESRZSA-N 1 0 247.342 0.953 10 0 BCAERO CC[N@H+](CCO)CCNc1nnc(C)s1 ZINC000302215875 384972248 /nfs/dbraw/zinc/97/22/48/384972248.db2.gz HYJZSOBCYWPNAB-UHFFFAOYSA-N 1 0 230.337 0.573 10 0 BCAERO COC[C@H](O)C[N@@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000127959761 384972780 /nfs/dbraw/zinc/97/27/80/384972780.db2.gz JHYWUSFFPPEVCV-NEPJUHHUSA-N 1 0 239.319 0.944 10 0 BCAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+][C@H]1CCSC1 ZINC000306469285 384978070 /nfs/dbraw/zinc/97/80/70/384978070.db2.gz PCGPTXKUYXGXGN-CIUDSAMLSA-N 1 0 214.334 0.749 10 0 BCAERO C[C@H]1OCC[C@@H]1Nc1cc[nH+]cc1C(N)=O ZINC000302178124 384978844 /nfs/dbraw/zinc/97/88/44/384978844.db2.gz XDZHYRIUGMUXLJ-APPZFPTMSA-N 1 0 221.260 0.770 10 0 BCAERO [NH3+][C@H]1CC[C@H](C(=O)NCCOCC2CC2)C1 ZINC000226325925 384979609 /nfs/dbraw/zinc/97/96/09/384979609.db2.gz WDHGPMUEGXLGOS-QWRGUYRKSA-N 1 0 226.320 0.657 10 0 BCAERO C[NH+](C)[C@@H]1CCN(C(=O)C2=COCCC2)C1 ZINC000107591141 384983184 /nfs/dbraw/zinc/98/31/84/384983184.db2.gz YYFJHMKCMGMZJI-LLVKDONJSA-N 1 0 224.304 0.843 10 0 BCAERO Cc1nc(CNC(=O)[C@@H]2CCC[C@H]([NH3+])C2)no1 ZINC000226356234 384988847 /nfs/dbraw/zinc/98/88/47/384988847.db2.gz ZXJJRQXTYYJVKG-BDAKNGLRSA-N 1 0 238.291 0.512 10 0 BCAERO Cc1cc(C[NH2+]C[C@H]2CN(C)CCO2)sn1 ZINC000404426381 384991553 /nfs/dbraw/zinc/99/15/53/384991553.db2.gz IAFRJQKZLBKTGE-JTQLQIEISA-N 1 0 241.360 0.872 10 0 BCAERO CN1CCO[C@@H](C[NH2+]Cc2ccns2)C1 ZINC000404460932 385009913 /nfs/dbraw/zinc/00/99/13/385009913.db2.gz SXWQMWFUCYTHRI-VIFPVBQESA-N 1 0 227.333 0.563 10 0 BCAERO C[C@@H](Nc1cn[nH]c(=O)c1Cl)[C@H](C)[NH3+] ZINC000307428300 385010320 /nfs/dbraw/zinc/01/03/20/385010320.db2.gz TXXMNENGWAQZAZ-CRCLSJGQSA-N 1 0 216.672 0.571 10 0 BCAERO C[C@H]1NC(=O)CC[C@H]1[NH2+]Cc1ccns1 ZINC000404480233 385014658 /nfs/dbraw/zinc/01/46/58/385014658.db2.gz VZBPIQCPUCGZHF-VXNVDRBHSA-N 1 0 225.317 0.900 10 0 BCAERO CC(=O)N1CCN([C@H]2CC[C@H]([NH3+])C2)CC1 ZINC000086409802 385014960 /nfs/dbraw/zinc/01/49/60/385014960.db2.gz QZBDIOHJJKOYKZ-QWRGUYRKSA-N 1 0 211.309 0.030 10 0 BCAERO C[NH2+][C@H]1CCCN(CCC(=O)OC)C1 ZINC000053204436 385073978 /nfs/dbraw/zinc/07/39/78/385073978.db2.gz UPMZKDOEBIMQMD-VIFPVBQESA-N 1 0 200.282 0.233 10 0 BCAERO C[C@@H](CCCO)[NH+]1CCC(C(N)=O)CC1 ZINC000058826916 385028797 /nfs/dbraw/zinc/02/87/97/385028797.db2.gz KYLXSKYYNQEMKC-VIFPVBQESA-N 1 0 214.309 0.345 10 0 BCAERO Cn1nccc1[C@H]1[C@@H]([NH3+])CC(=O)N1C1CC1 ZINC000164790285 385041674 /nfs/dbraw/zinc/04/16/74/385041674.db2.gz FKINRLXRSNXXEU-GZMMTYOYSA-N 1 0 220.276 0.183 10 0 BCAERO CCC[C@H]([NH3+])C(=O)NCC(C)(C)C(=O)NC ZINC000226691770 385045251 /nfs/dbraw/zinc/04/52/51/385045251.db2.gz DXUTXFFGSRLUMO-QMMMGPOBSA-N 1 0 229.324 0.002 10 0 BCAERO CCN1CC[C@@H]([NH2+]C[C@H](O)C(C)(C)C)C1=O ZINC000644642346 385046555 /nfs/dbraw/zinc/04/65/55/385046555.db2.gz GTAPPEVFLZTNHV-ZJUUUORDSA-N 1 0 228.336 0.604 10 0 BCAERO CCN1CC[C@H]([NH2+]C[C@@H](O)C(C)(C)C)C1=O ZINC000644642345 385047311 /nfs/dbraw/zinc/04/73/11/385047311.db2.gz GTAPPEVFLZTNHV-VHSXEESVSA-N 1 0 228.336 0.604 10 0 BCAERO Cc1ccnc(N2CCC[C@@H](C[NH3+])C2)n1 ZINC000061859627 385141712 /nfs/dbraw/zinc/14/17/12/385141712.db2.gz UYDOBAKEJSPZLR-JTQLQIEISA-N 1 0 206.293 0.960 10 0 BCAERO Nc1ccc(-c2cnc(N)nc2N)cc1 ZINC000032235071 385137390 /nfs/dbraw/zinc/13/73/90/385137390.db2.gz ONXVPAMWADIODC-UHFFFAOYSA-N 1 0 201.233 0.890 10 0 BCAERO COC[C@@]1(C(=O)N(C)C2CCC2)CCC[NH2+]1 ZINC000643701021 385137833 /nfs/dbraw/zinc/13/78/33/385137833.db2.gz PBAZWUQAIXJKMF-GFCCVEGCSA-N 1 0 226.320 0.766 10 0 BCAERO CO[C@@H]1C[C@H](CO)[N@H+](C[C@H]2CCOC2)C1 ZINC000308813154 385182072 /nfs/dbraw/zinc/18/20/72/385182072.db2.gz AFPUEWJKBQYTFN-GMTAPVOTSA-N 1 0 215.293 0.105 10 0 BCAERO Cc1cnc(N2CCC[NH2+]CC2)nc1C ZINC000107243265 385189575 /nfs/dbraw/zinc/18/95/75/385189575.db2.gz GIUOCIQZYBMXLF-UHFFFAOYSA-N 1 0 206.293 0.893 10 0 BCAERO CC[C@H]([NH2+][C@H](CO)c1ccccc1)C(N)=O ZINC000063002178 385202027 /nfs/dbraw/zinc/20/20/27/385202027.db2.gz HVPQJVMHHMTEDK-WDEREUQCSA-N 1 0 222.288 0.574 10 0 BCAERO Cc1nocc1C(=O)N1C[C@H](C)[C@H]([NH3+])C1 ZINC000402692361 385144242 /nfs/dbraw/zinc/14/42/42/385144242.db2.gz ZANGBPYRCIUDHZ-IMTBSYHQSA-N 1 0 209.249 0.402 10 0 BCAERO C[NH+](C)C[C@H]1CN(C(=O)NC(C)(C)C)CCO1 ZINC000157301346 385145325 /nfs/dbraw/zinc/14/53/25/385145325.db2.gz ZGPDPDNRVLLNDY-JTQLQIEISA-N 1 0 243.351 0.757 10 0 BCAERO C[NH2+][C@H](C)CNC(=O)[C@H]1CC12CCOCC2 ZINC000647031951 385165001 /nfs/dbraw/zinc/16/50/01/385165001.db2.gz KLSDOBGTYIAZHO-NXEZZACHSA-N 1 0 226.320 0.527 10 0 BCAERO C[C@@H]([NH2+][C@@H](CO)c1ccccc1)C(=O)N(C)C ZINC000063003031 385202421 /nfs/dbraw/zinc/20/24/21/385202421.db2.gz BIXWJBUBSWGYAL-PWSUYJOCSA-N 1 0 236.315 0.786 10 0 BCAERO Cc1cccc(CC(=O)NC[C@H]2C[NH2+]C[C@@H]2O)c1 ZINC000647039635 385175790 /nfs/dbraw/zinc/17/57/90/385175790.db2.gz TZIXSXAXRNCVDU-OLZOCXBDSA-N 1 0 248.326 0.234 10 0 BCAERO C[C@H](C(=O)NC[C@@H]1C[NH2+]C[C@H]1O)c1ccccc1 ZINC000647040166 385175866 /nfs/dbraw/zinc/17/58/66/385175866.db2.gz NNQNPPJDXVNDCS-WCFLWFBJSA-N 1 0 248.326 0.487 10 0 BCAERO O=C1NCCC[C@H]1[NH2+]CC[C@H]1CCOC1 ZINC000308868878 385224992 /nfs/dbraw/zinc/22/49/92/385224992.db2.gz ICSQMAXMOVKTMP-VHSXEESVSA-N 1 0 212.293 0.281 10 0 BCAERO C[C@H]([NH2+]CCN1CCOCC1)[C@@H]1CCCO1 ZINC000035735739 385233250 /nfs/dbraw/zinc/23/32/50/385233250.db2.gz IGOJATDYHOIWJF-RYUDHWBXSA-N 1 0 228.336 0.476 10 0 BCAERO CC(C)OCC(=O)N1CCC[C@H]1C[NH3+] ZINC000157662916 385240691 /nfs/dbraw/zinc/24/06/91/385240691.db2.gz QELKXKHRKYINMG-VIFPVBQESA-N 1 0 200.282 0.361 10 0 BCAERO [NH3+][C@@H]1CC[C@@H](C(=O)NC[C@@H]2CCCCO2)C1 ZINC000227814957 385243808 /nfs/dbraw/zinc/24/38/08/385243808.db2.gz BTMGSFLNBANYOK-MXWKQRLJSA-N 1 0 226.320 0.799 10 0 BCAERO COC(=O)[C@H](NC(=O)[C@H]1CC[C@@H]([NH3+])C1)C(C)C ZINC000227812843 385250610 /nfs/dbraw/zinc/25/06/10/385250610.db2.gz ZVKNYUGNPQFUGI-IVZWLZJFSA-N 1 0 242.319 0.428 10 0 BCAERO COC[C@H](C)CNC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000227812957 385251317 /nfs/dbraw/zinc/25/13/17/385251317.db2.gz QBLLIGGHSHTHKN-OPRDCNLKSA-N 1 0 214.309 0.513 10 0 BCAERO [NH3+]C[C@@H]1CN(Cc2ccccc2)CCN1 ZINC000259351011 385304736 /nfs/dbraw/zinc/30/47/36/385304736.db2.gz SZXCNYQQYPARBF-GFCCVEGCSA-N 1 0 205.305 0.419 10 0 BCAERO CC(C)n1cc2c(n1)C(=O)NC1(CC[NH2+]CC1)C2 ZINC000167299147 385306148 /nfs/dbraw/zinc/30/61/48/385306148.db2.gz NMSNAHXMMZJPTG-UHFFFAOYSA-N 1 0 248.330 0.872 10 0 BCAERO CO[C@H]1C[C@H](CO)[N@H+](CCc2cnn(C)c2)C1 ZINC000344893164 385311748 /nfs/dbraw/zinc/31/17/48/385311748.db2.gz CCFZPRJMNYXLLH-NEPJUHHUSA-N 1 0 239.319 0.044 10 0 BCAERO CO[C@H]1C[C@H](CO)[N@H+](CCn2cc(C)cn2)C1 ZINC000344899795 385315336 /nfs/dbraw/zinc/31/53/36/385315336.db2.gz QTSHLKMABJEJHZ-NEPJUHHUSA-N 1 0 239.319 0.273 10 0 BCAERO C[NH+](C)[C@H]1CCN(C(=O)c2cccc(F)n2)C1 ZINC000131261566 385320617 /nfs/dbraw/zinc/32/06/17/385320617.db2.gz LSWONPQUZHESRK-VIFPVBQESA-N 1 0 237.278 0.997 10 0 BCAERO C[C@@H]([NH3+])[C@@H](C)Nc1cnn(C)c(=O)c1Cl ZINC000394529965 385289782 /nfs/dbraw/zinc/28/97/82/385289782.db2.gz PXXTVKBIMVHYHQ-PHDIDXHHSA-N 1 0 230.699 0.581 10 0 BCAERO COCC(C)(C)NC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000158042417 385329726 /nfs/dbraw/zinc/32/97/26/385329726.db2.gz BDBNGJYKZHKKAX-BDAKNGLRSA-N 1 0 214.309 0.655 10 0 BCAERO C[C@@H]([NH2+]CC(=O)N1CCC1)[C@@H]1CCCO1 ZINC000308988345 385333914 /nfs/dbraw/zinc/33/39/14/385333914.db2.gz KKCIPNHGCWTFOG-ZJUUUORDSA-N 1 0 212.293 0.376 10 0 BCAERO C[NH+](C)[C@@H]1CCN(C(=O)c2ccnnc2)C1 ZINC000131467309 385336639 /nfs/dbraw/zinc/33/66/39/385336639.db2.gz SIJKHFQSTOSTSB-SNVBAGLBSA-N 1 0 220.276 0.253 10 0 BCAERO CN(C)c1nccc(C[NH2+]CCCCO)n1 ZINC000336763948 385338993 /nfs/dbraw/zinc/33/89/93/385338993.db2.gz MVIPHURLCJEGLC-UHFFFAOYSA-N 1 0 224.308 0.405 10 0 BCAERO Cn1nccc1C1CC[NH+]([C@H]2CCNC2=O)CC1 ZINC000178195486 385344130 /nfs/dbraw/zinc/34/41/30/385344130.db2.gz AGNSZPMZCVGTFQ-LBPRGKRZSA-N 1 0 248.330 0.488 10 0 BCAERO Cc1cnc(C(=O)N2CC[C@@H]([NH+](C)C)C2)cn1 ZINC000168647087 385378611 /nfs/dbraw/zinc/37/86/11/385378611.db2.gz FNFXFTGBHQMAHJ-SNVBAGLBSA-N 1 0 234.303 0.561 10 0 BCAERO C[C@H](NC(=O)[C@H]1[NH2+]CC1(C)C)[C@@H]1CCCO1 ZINC000644020914 385384906 /nfs/dbraw/zinc/38/49/06/385384906.db2.gz BAISZFXHWHEGNQ-LPEHRKFASA-N 1 0 226.320 0.668 10 0 BCAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]Cc1cnc[nH]1 ZINC000309095064 385405557 /nfs/dbraw/zinc/40/55/57/385405557.db2.gz CLWXYDFYAXQIIE-IONNQARKSA-N 1 0 208.265 0.166 10 0 BCAERO CC(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)C(N)=O ZINC000309074337 385406268 /nfs/dbraw/zinc/40/62/68/385406268.db2.gz IRYCAJYQGWFAHS-AEJSXWLSSA-N 1 0 214.309 0.511 10 0 BCAERO COC(=O)CCCN1CC[C@@H]([NH+](C)C)C1 ZINC000062966230 385410549 /nfs/dbraw/zinc/41/05/49/385410549.db2.gz HBYHQDJPLLEFHY-SNVBAGLBSA-N 1 0 214.309 0.576 10 0 BCAERO Cn1ccc(CC(=O)N[C@@H]2CCC[C@@H]2C[NH3+])n1 ZINC000644065129 385413043 /nfs/dbraw/zinc/41/30/43/385413043.db2.gz WVKZUXFJWDEGQF-MWLCHTKSSA-N 1 0 236.319 0.206 10 0 BCAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]Cc1cc[nH]n1 ZINC000309117044 385422587 /nfs/dbraw/zinc/42/25/87/385422587.db2.gz LYPZLARLCUJMEK-CBAPKCEASA-N 1 0 208.265 0.166 10 0 BCAERO c1cnn(C[C@H]2C[N@H+](CC3CC3)CCO2)c1 ZINC000156223855 385442752 /nfs/dbraw/zinc/44/27/52/385442752.db2.gz LBUHPNGUFPFBBV-GFCCVEGCSA-N 1 0 221.304 0.994 10 0 BCAERO C[NH+](C)[C@@H]1CCN(C(=O)C2=COCCO2)C1 ZINC000170863113 385450875 /nfs/dbraw/zinc/45/08/75/385450875.db2.gz ZDFIPDQVOKIBCH-SECBINFHSA-N 1 0 226.276 0.037 10 0 BCAERO C[NH+](C)[C@H]1CCN(C(=O)NCc2cccnc2)C1 ZINC000170861535 385451496 /nfs/dbraw/zinc/45/14/96/385451496.db2.gz WUKKHUHWOMEASL-LBPRGKRZSA-N 1 0 248.330 0.927 10 0 BCAERO Cc1cc(C(=O)N2CC[C@H]([NH+](C)C)C2)[nH]n1 ZINC000170864881 385451664 /nfs/dbraw/zinc/45/16/64/385451664.db2.gz UAUCHOJSHDCUTF-VIFPVBQESA-N 1 0 222.292 0.494 10 0 BCAERO C[NH+](C)[C@H]1CCN(C(=O)c2cc[nH]n2)C1 ZINC000170866628 385451908 /nfs/dbraw/zinc/45/19/08/385451908.db2.gz JJMSRSMWPYGJJD-QMMMGPOBSA-N 1 0 208.265 0.186 10 0 BCAERO C[C@@H]1C[C@](NC2CC2)(C(N)=O)CC[N@@H+]1C ZINC000156467988 385452705 /nfs/dbraw/zinc/45/27/05/385452705.db2.gz SCLZUSFMPOAEMW-KCJUWKMLSA-N 1 0 211.309 0.077 10 0 BCAERO C[C@H]1CC[C@H](C(=O)N2CC[NH2+]C(C)(C)C2)O1 ZINC000148963684 134449722 /nfs/dbraw/zinc/44/97/22/134449722.db2.gz JYECORJCEDTXAR-VHSXEESVSA-N 1 0 226.320 0.764 10 0 BCAERO CC[NH2+][C@]1(C(=O)[O-])CC[N@@H+]2CCC[C@@H]2C1 ZINC000156490067 385454377 /nfs/dbraw/zinc/45/43/77/385454377.db2.gz YGGONDVGGZWENH-MWLCHTKSSA-N 1 0 212.293 0.678 10 0 BCAERO C=Cn1cc(C[NH2+][C@H]2CCc3ncnn3C2)cn1 ZINC000194298421 385428708 /nfs/dbraw/zinc/42/87/08/385428708.db2.gz SGCLDDWZIONOCM-NSHDSACASA-N 1 0 244.302 0.680 10 0 BCAERO CCN(CC[NH3+])c1ncnc2onc(C)c21 ZINC000165944361 385429627 /nfs/dbraw/zinc/42/96/27/385429627.db2.gz OZOJJYZIPHTWOY-UHFFFAOYSA-N 1 0 221.264 0.711 10 0 BCAERO CO[C@H](C)C[N@@H+]1CCN(C[C@@H](C)O)[C@H](C)C1 ZINC000182136916 385431416 /nfs/dbraw/zinc/43/14/16/385431416.db2.gz XQMZUBXAGHYWRN-IJLUTSLNSA-N 1 0 230.352 0.408 10 0 BCAERO [NH3+][C@H]1CC[C@H](CNC(=O)C(F)(F)F)C1 ZINC000257701609 385488106 /nfs/dbraw/zinc/48/81/06/385488106.db2.gz YELSGQDUMHFYHE-WDSKDSINSA-N 1 0 210.199 0.792 10 0 BCAERO C[NH+](C)[C@]1(C(=O)[O-])CC[N@@H+]2CCC[C@@H]2C1 ZINC000156929388 385476532 /nfs/dbraw/zinc/47/65/32/385476532.db2.gz DGOWAQLDDFMMFJ-MWLCHTKSSA-N 1 0 212.293 0.630 10 0 BCAERO CCOC(=O)[C@]1(O)CC[N@@H+]2CCC[C@@H]2C1 ZINC000156978513 385478061 /nfs/dbraw/zinc/47/80/61/385478061.db2.gz MGRXSOKQJPJERU-KOLCDFICSA-N 1 0 213.277 0.539 10 0 BCAERO C[C@@H]1OCC[C@H]1NC(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000644105301 385480853 /nfs/dbraw/zinc/48/08/53/385480853.db2.gz MJYOSMYMPCFMKA-DJLDLDEBSA-N 1 0 248.273 0.525 10 0 BCAERO C[C@@H]1OCC[C@@H]1NC(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000644105300 385481257 /nfs/dbraw/zinc/48/12/57/385481257.db2.gz MJYOSMYMPCFMKA-CIUDSAMLSA-N 1 0 248.273 0.525 10 0 BCAERO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@@H]3CC34CC4)C[C@H]12 ZINC000644105586 385481489 /nfs/dbraw/zinc/48/14/89/385481489.db2.gz VXSIXNLOYHHDNE-VPOLOUISSA-N 1 0 220.316 0.982 10 0 BCAERO [NH3+]C[C@@H]1CCCN1C(=O)c1cncs1 ZINC000257645273 385485857 /nfs/dbraw/zinc/48/58/57/385485857.db2.gz ABKYDJZPVVVTFS-ZETCQYMHSA-N 1 0 211.290 0.706 10 0 BCAERO CCN1C(=O)C[C@@H](C[NH3+])[C@@H]1c1nccn1C ZINC000328579658 385491178 /nfs/dbraw/zinc/49/11/78/385491178.db2.gz VEDFDPMMBYZEAR-WCBMZHEXSA-N 1 0 222.292 0.288 10 0 BCAERO CCN1C(=O)C[C@H](C[NH3+])[C@H]1c1nccn1C ZINC000328579657 385491394 /nfs/dbraw/zinc/49/13/94/385491394.db2.gz VEDFDPMMBYZEAR-SCZZXKLOSA-N 1 0 222.292 0.288 10 0 BCAERO COC(=O)CCC[N@@H+]1C[C@H](OC)C[C@H]1CO ZINC000309239163 385494434 /nfs/dbraw/zinc/49/44/34/385494434.db2.gz AAVFTUHEXUTBHN-VHSXEESVSA-N 1 0 231.292 0.021 10 0 BCAERO c1cnn(CC[N@@H+]2CCC[C@H](n3cncn3)C2)c1 ZINC000171620218 385502051 /nfs/dbraw/zinc/50/20/51/385502051.db2.gz KHVZLMMLJJEUDB-LBPRGKRZSA-N 1 0 246.318 0.812 10 0 BCAERO COc1cc(C)nc(N[C@H]2CCC[NH2+]C2)n1 ZINC000166461589 385502406 /nfs/dbraw/zinc/50/24/06/385502406.db2.gz VTICOQIJYGQEQW-VIFPVBQESA-N 1 0 222.292 0.958 10 0 BCAERO COc1cc(C)nc(N[C@@H](C)CC[NH3+])n1 ZINC000166490462 385505395 /nfs/dbraw/zinc/50/53/95/385505395.db2.gz RTPRVTYCVWXIIV-ZETCQYMHSA-N 1 0 210.281 0.943 10 0 BCAERO Cc1noc2ncnc(NC[C@H](C)C[NH3+])c12 ZINC000643018855 385515582 /nfs/dbraw/zinc/51/55/82/385515582.db2.gz ISEFNEDGRVWUAG-ZCFIWIBFSA-N 1 0 221.264 0.933 10 0 BCAERO Cc1noc2ncnc(NC[C@@H](C)C[NH3+])c12 ZINC000643018854 385515975 /nfs/dbraw/zinc/51/59/75/385515975.db2.gz ISEFNEDGRVWUAG-LURJTMIESA-N 1 0 221.264 0.933 10 0 BCAERO C[C@](O)(CN1CC[C@H]([NH3+])C1)C(F)(F)F ZINC000258052625 385529346 /nfs/dbraw/zinc/52/93/46/385529346.db2.gz KDPARBVSRDKJLQ-BQBZGAKWSA-N 1 0 212.215 0.333 10 0 BCAERO O[C@@H]1C[NH2+]C[C@H]1CNc1ccnc2cccnc21 ZINC000643040263 385542703 /nfs/dbraw/zinc/54/27/03/385542703.db2.gz NZSYEXLGFNCLHS-JOYOIKCWSA-N 1 0 244.298 0.044 10 0 BCAERO C[C@H]1[C@H]([NH3+])CCN1C(=O)Cc1ccncc1 ZINC000309346202 385543618 /nfs/dbraw/zinc/54/36/18/385543618.db2.gz WOZSHVMBFOZFKW-GXSJLCMTSA-N 1 0 219.288 0.572 10 0 BCAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]Cc1nccs1 ZINC000282210575 385520255 /nfs/dbraw/zinc/52/02/55/385520255.db2.gz DJWOCBHLUMACDO-YUMQZZPRSA-N 1 0 225.317 0.900 10 0 BCAERO CO[C@@H]1C[C@H](CO)[N@H+](CC[C@H]2CCCO2)C1 ZINC000309315643 385527520 /nfs/dbraw/zinc/52/75/20/385527520.db2.gz YRTGOPPMHYOQGU-IJLUTSLNSA-N 1 0 229.320 0.637 10 0 BCAERO C[NH+](C)[C@H]1CCN(C(=O)CC2CCOCC2)C1 ZINC000117251562 385557913 /nfs/dbraw/zinc/55/79/13/385557913.db2.gz TWHLVANRFUCAKJ-LBPRGKRZSA-N 1 0 240.347 0.966 10 0 BCAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]C[C@@H]1CCCOC1 ZINC000309404638 385571708 /nfs/dbraw/zinc/57/17/08/385571708.db2.gz HVGPZFNUJWODRC-DCAQKATOSA-N 1 0 226.320 0.670 10 0 BCAERO C[NH2+][C@H](C)C(=O)N(C)C[C@@H]1CCCO1 ZINC000054076556 385594143 /nfs/dbraw/zinc/59/41/43/385594143.db2.gz BYZUJLWSHBRXCG-BDAKNGLRSA-N 1 0 200.282 0.232 10 0 BCAERO CC(C)[C@H](C)[NH2+]CCC(=O)NC(N)=O ZINC000308549867 385578923 /nfs/dbraw/zinc/57/89/23/385578923.db2.gz XAKNMWNSESZFCN-ZETCQYMHSA-N 1 0 201.270 0.206 10 0 BCAERO O[C@@H](C[NH2+]CC1CC(O)C1)CC(F)(F)F ZINC000307946485 385587780 /nfs/dbraw/zinc/58/77/80/385587780.db2.gz KFPDNLNOQRLANN-KAVNDROISA-N 1 0 227.226 0.660 10 0 BCAERO COC(=O)CCN1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000063196044 385611501 /nfs/dbraw/zinc/61/15/01/385611501.db2.gz KLCXGOYCBMFACY-VHSXEESVSA-N 1 0 214.309 0.751 10 0 BCAERO C[NH2+][C@H](C)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000055421576 385642734 /nfs/dbraw/zinc/64/27/34/385642734.db2.gz KSIJTPOHKLLYQL-SSDOTTSWSA-N 1 0 221.260 0.332 10 0 BCAERO CS(=O)(=O)N1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000051359197 385644564 /nfs/dbraw/zinc/64/45/64/385644564.db2.gz TWYWCSKUNOGOIL-IUCAKERBSA-N 1 0 218.322 0.162 10 0 BCAERO CC(C)C[C@H](C)[N@@H+]1CCC[C@@](O)(C(N)=O)C1 ZINC000336652796 385658510 /nfs/dbraw/zinc/65/85/10/385658510.db2.gz JAPLIIADYCTONF-JQWIXIFHSA-N 1 0 228.336 0.733 10 0 BCAERO CC[C@H]([NH2+][C@@H](C)CC(N)=O)[C@@H](O)C(F)(F)F ZINC000336734224 385659322 /nfs/dbraw/zinc/65/93/22/385659322.db2.gz KPYNTOZRWRXQGR-VMHSAVOQSA-N 1 0 242.241 0.542 10 0 BCAERO C[NH2+][C@H](C)C(=O)N[C@@H]1C[C@@H](C)O[C@H]1C ZINC000307345541 385681204 /nfs/dbraw/zinc/68/12/04/385681204.db2.gz KTMCSDMFLHWPER-LURQLKTLSA-N 1 0 200.282 0.276 10 0 BCAERO C[NH2+][C@H](C)C(=O)N[C@@H]1C[C@H](C)O[C@@H]1C ZINC000307345539 385682238 /nfs/dbraw/zinc/68/22/38/385682238.db2.gz KTMCSDMFLHWPER-JQCXWYLXSA-N 1 0 200.282 0.276 10 0 BCAERO CCOCCNC(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000055085787 385706313 /nfs/dbraw/zinc/70/63/13/385706313.db2.gz HWUOJBSOYRXWRM-VHSXEESVSA-N 1 0 214.309 0.657 10 0 BCAERO CC(C)(O)C[NH2+][C@@H]1CCCC[C@@H]1C(N)=O ZINC000184841556 385713269 /nfs/dbraw/zinc/71/32/69/385713269.db2.gz POKVCJVETQINOO-DTWKUNHWSA-N 1 0 214.309 0.391 10 0 BCAERO CC(C)(O)C[NH2+][C@H]1CCCC[C@@H]1C(N)=O ZINC000184841576 385714671 /nfs/dbraw/zinc/71/46/71/385714671.db2.gz POKVCJVETQINOO-IUCAKERBSA-N 1 0 214.309 0.391 10 0 BCAERO CO[C@H]1C[C@@H](CO)[N@H+](Cc2cccnc2C)C1 ZINC000343947836 385737251 /nfs/dbraw/zinc/73/72/51/385737251.db2.gz FCXWYFOWLRSHCK-STQMWFEESA-N 1 0 236.315 0.972 10 0 BCAERO CC[C@@H]([NH3+])CNc1nc([C@@H](C)OC)ns1 ZINC000336698596 385752630 /nfs/dbraw/zinc/75/26/30/385752630.db2.gz OPYSSMCJNXRMFI-RNFRBKRXSA-N 1 0 230.337 0.817 10 0 BCAERO CSC[C@@H](O)C[NH2+][C@H]1CCC(=O)NC1(C)C ZINC000309627379 385755877 /nfs/dbraw/zinc/75/58/77/385755877.db2.gz GBZXJKCZMCXHQG-IUCAKERBSA-N 1 0 246.376 0.357 10 0 BCAERO COC(=O)C1CCN(C(=O)[C@H]2CC[NH2+]C2)CC1 ZINC000062112522 385760966 /nfs/dbraw/zinc/76/09/66/385760966.db2.gz NNZSZHKGSCIZQW-JTQLQIEISA-N 1 0 240.303 0.008 10 0 BCAERO CCOCC[C@H](O)C[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000309676615 385782619 /nfs/dbraw/zinc/78/26/19/385782619.db2.gz YAFGXYZXOWDDNA-SDDRHHMPSA-N 1 0 231.336 0.931 10 0 BCAERO COc1nn(C)cc1N[C@@H]1C[N@H+](C)C[C@@H]1C ZINC000336711268 385800576 /nfs/dbraw/zinc/80/05/76/385800576.db2.gz SFOIKVLGGJDVBI-DTWKUNHWSA-N 1 0 224.308 0.791 10 0 BCAERO C[C@@H]1C[N@H+](C[C@H](O)COC(C)(C)C)CC[C@@H]1O ZINC000186865330 385805081 /nfs/dbraw/zinc/80/50/81/385805081.db2.gz JUYLMJABTITPEN-WOPDTQHZSA-N 1 0 245.363 0.865 10 0 BCAERO CC1(C)SC[C@H]1[NH2+][C@@H]1COC[C@H]1O ZINC000575527142 385840221 /nfs/dbraw/zinc/84/02/21/385840221.db2.gz AVPZKYUMJDBVTF-BWZBUEFSSA-N 1 0 203.307 0.230 10 0 BCAERO COC[C@H]([NH2+][C@H]1CCC(=O)N[C@H]1C)C1CC1 ZINC000309678374 385792154 /nfs/dbraw/zinc/79/21/54/385792154.db2.gz YRXZDRJHPULOCZ-LSJOCFKGSA-N 1 0 226.320 0.668 10 0 BCAERO C[C@@H]1C[C@@H](N2C[C@@H]([NH3+])CC2=O)CS1 ZINC000307128346 385929206 /nfs/dbraw/zinc/92/92/06/385929206.db2.gz DYFQHDMPYYICHO-GJMOJQLCSA-N 1 0 200.307 0.440 10 0 BCAERO [NH3+]CCN1CCOC[C@H]1OC(F)(F)F ZINC000616640767 385864560 /nfs/dbraw/zinc/86/45/60/385864560.db2.gz NAYUWBVHNOMHTA-ZCFIWIBFSA-N 1 0 214.187 0.140 10 0 BCAERO [NH3+][C@H]1CC[C@@H](N2CCN3C(=O)CC[C@H]3C2)C1 ZINC000216612431 385867710 /nfs/dbraw/zinc/86/77/10/385867710.db2.gz TZBZWWGOFGVDLA-AXFHLTTASA-N 1 0 223.320 0.173 10 0 BCAERO CC(C)c1nnc(CN2CC[NH2+]CC2)[nH]1 ZINC000051658829 385872918 /nfs/dbraw/zinc/87/29/18/385872918.db2.gz WYFLSZVEFJMWRB-UHFFFAOYSA-N 1 0 209.297 0.333 10 0 BCAERO Cc1cnn(CC[NH2+][C@@H]2CCO[C@H]2C)c1 ZINC000124062815 385983893 /nfs/dbraw/zinc/98/38/93/385983893.db2.gz AJPKDHBRSRAJTK-WDEREUQCSA-N 1 0 209.293 0.959 10 0 BCAERO CO[C@@H]1C[C@H](NC(=O)C2C[NH2+]C2)C1(C)C ZINC000230051808 134478710 /nfs/dbraw/zinc/47/87/10/134478710.db2.gz NPLRAMSZNOJWBI-DTWKUNHWSA-N 1 0 212.293 0.136 10 0 BCAERO COC[C@H](CO)NC(=[NH2+])NCc1ccccc1 ZINC000307132546 385938222 /nfs/dbraw/zinc/93/82/22/385938222.db2.gz IAEIROKOEYTIAO-NSHDSACASA-N 1 0 237.303 0.308 10 0 BCAERO CC/C=C/CC[N@@H+]1CCC[C@@](O)(C(N)=O)C1 ZINC000286170577 386003357 /nfs/dbraw/zinc/00/33/57/386003357.db2.gz MKRTVEANXQEQBQ-PCAWENJQSA-N 1 0 226.320 0.655 10 0 BCAERO C[C@@H]1CN(C(=O)c2ccncc2F)C[C@H]1C[NH3+] ZINC000638893666 386008125 /nfs/dbraw/zinc/00/81/25/386008125.db2.gz MGFURQAXYRNZLO-RKDXNWHRSA-N 1 0 237.278 0.888 10 0 BCAERO Cn1nnc(Br)c1[C@H](F)C1C[NH2+]C1 ZINC000575559547 386008437 /nfs/dbraw/zinc/00/84/37/386008437.db2.gz PGMXMKNXMGMPEN-RXMQYKEDSA-N 1 0 249.087 0.808 10 0 BCAERO COc1ncccc1C(=O)N1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000638904795 386010034 /nfs/dbraw/zinc/01/00/34/386010034.db2.gz RTSZNUCIANMALS-ZJUUUORDSA-N 1 0 249.314 0.757 10 0 BCAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]Cc1ccnn1C ZINC000336728100 386047354 /nfs/dbraw/zinc/04/73/54/386047354.db2.gz CGOZEDFTYTWPBB-WPRPVWTQSA-N 1 0 222.292 0.177 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)NC[C@@H]([NH3+])C2CC2)O1 ZINC000222516359 386048909 /nfs/dbraw/zinc/04/89/09/386048909.db2.gz SBSJUYPKLWXALD-SZEHBUNVSA-N 1 0 212.293 0.407 10 0 BCAERO O=C([O-])C1([N@@H+]2CCC[NH2+]CC2)CCCC1 ZINC000037958976 386105597 /nfs/dbraw/zinc/10/55/97/386105597.db2.gz CKMRXURUXYKAEM-UHFFFAOYSA-N 1 0 212.293 0.679 10 0 BCAERO C/C=C/[C@@H]([NH3+])[C@H]1CCCCS1(=O)=O ZINC000575569290 386122556 /nfs/dbraw/zinc/12/25/56/386122556.db2.gz STLCAZOTXGTUQN-YQRQKROXSA-N 1 0 203.307 0.857 10 0 BCAERO CC(C)([NH3+])CNc1nnnn1-c1ccccc1 ZINC000129668656 386098052 /nfs/dbraw/zinc/09/80/52/386098052.db2.gz VSXFZJPEWANGAN-UHFFFAOYSA-N 1 0 232.291 0.812 10 0 BCAERO [NH3+][C@H]1CCC[C@@H](C(=O)N[C@H]2CCCC[C@@H]2O)C1 ZINC000055088304 386153779 /nfs/dbraw/zinc/15/37/79/386153779.db2.gz AAIRHZPDFCORJV-RHYQMDGZSA-N 1 0 240.347 0.924 10 0 BCAERO CCC[C@H](NC(=O)C[C@H]1CCC[NH2+]C1)C(N)=O ZINC000310222836 386163774 /nfs/dbraw/zinc/16/37/74/386163774.db2.gz NOJZRKVSVAQJBU-ZJUUUORDSA-N 1 0 241.335 0.146 10 0 BCAERO O=[S@@]([C@H]1CCOC1)C1CC[NH2+]CC1 ZINC000575576102 386181152 /nfs/dbraw/zinc/18/11/52/386181152.db2.gz KRBRYBIAKQMOFX-TVQRCGJNSA-N 1 0 203.307 0.276 10 0 BCAERO CNS(=O)(=O)CC[NH2+][C@H](C)[C@H]1C[C@H]1C ZINC000322224286 386131541 /nfs/dbraw/zinc/13/15/41/386131541.db2.gz XZJYCXOACAJQCG-HLTSFMKQSA-N 1 0 220.338 0.170 10 0 BCAERO [NH3+][C@@H]1CCC[C@@H]1[S@](=O)[C@H]1CCOC1 ZINC000575578191 386212244 /nfs/dbraw/zinc/21/22/44/386212244.db2.gz SRECYEQOIQCHAT-QRIDJOKKSA-N 1 0 203.307 0.404 10 0 BCAERO [NH3+][C@H]1CCC[C@H]1C(=O)NC1CSC1 ZINC000575579140 386219819 /nfs/dbraw/zinc/21/98/19/386219819.db2.gz KAPTVUTXKUQLSQ-SFYZADRCSA-N 1 0 200.307 0.345 10 0 BCAERO C[N@H+](C[C@H]1CCC[C@@H]1O)CC1(O)CCC1 ZINC000336643018 386248450 /nfs/dbraw/zinc/24/84/50/386248450.db2.gz BIMVCHMXVMQWEY-MNOVXSKESA-N 1 0 213.321 0.994 10 0 BCAERO COC[C@H](NC(=O)[C@H]1CC[NH2+]C1)C1CC1 ZINC000125397921 386252365 /nfs/dbraw/zinc/25/23/65/386252365.db2.gz VHGKMOKSSKEIBE-UWVGGRQHSA-N 1 0 212.293 0.137 10 0 BCAERO [NH3+]C[C@@H]1CCCN1Cc1nc(C2CC2)no1 ZINC000133249957 386286641 /nfs/dbraw/zinc/28/66/41/386286641.db2.gz SFQJOGGCSXRJJE-VIFPVBQESA-N 1 0 222.292 0.870 10 0 BCAERO CCCc1noc(CN2CCC[C@H]2C[NH3+])n1 ZINC000133238027 386288119 /nfs/dbraw/zinc/28/81/19/386288119.db2.gz SHOPXIMCJWEYGY-VIFPVBQESA-N 1 0 224.308 0.945 10 0 BCAERO COC(=O)[C@H](NC(=O)[C@@H]1CC[C@H]([NH3+])C1)C(C)C ZINC000091548482 386299151 /nfs/dbraw/zinc/29/91/51/386299151.db2.gz ZVKNYUGNPQFUGI-KXUCPTDWSA-N 1 0 242.319 0.428 10 0 BCAERO Cn1cc(NC(=O)[C@H]2CC[C@@H]([NH3+])C2)ccc1=O ZINC000091544989 386299490 /nfs/dbraw/zinc/29/94/90/386299490.db2.gz GOELIMVDNOLVIF-DTWKUNHWSA-N 1 0 235.287 0.451 10 0 BCAERO CCCCN(CC(N)=O)C(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000091548299 386300175 /nfs/dbraw/zinc/30/01/75/386300175.db2.gz KWMRKAGJGIFESW-UWVGGRQHSA-N 1 0 241.335 0.228 10 0 BCAERO COC(=O)[C@H](C)CN(C)C(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000091545063 386300661 /nfs/dbraw/zinc/30/06/61/386300661.db2.gz OHPSUZOSHCAUFW-BBBLOLIVSA-N 1 0 242.319 0.381 10 0 BCAERO CCC[C@H]([NH3+])C(=O)NCCCC(=O)OCC ZINC000081524548 386302150 /nfs/dbraw/zinc/30/21/50/386302150.db2.gz PHRODAZIKQJKJK-VIFPVBQESA-N 1 0 230.308 0.573 10 0 BCAERO CC(C)C[C@H]([NH3+])C(=O)NCC(=O)OC(C)(C)C ZINC000002392310 386400295 /nfs/dbraw/zinc/40/02/95/386400295.db2.gz VYNIBTQVENIANV-VIFPVBQESA-N 1 0 244.335 0.818 10 0 BCAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]Cc1nccn1C ZINC000336777176 386409512 /nfs/dbraw/zinc/40/95/12/386409512.db2.gz HPLOTCFMSPBVFP-IUCAKERBSA-N 1 0 222.292 0.177 10 0 BCAERO C[C@H]1[NH2+]CCC[C@@H]1Nc1ccncc1C#N ZINC000398990193 386426888 /nfs/dbraw/zinc/42/68/88/386426888.db2.gz KRJKGUIVILFRDS-KOLCDFICSA-N 1 0 216.288 0.928 10 0 BCAERO CCOC(=O)COCC[N@@H+]1C[C@H](O)CC[C@@H]1C ZINC000399167156 386430686 /nfs/dbraw/zinc/43/06/86/386430686.db2.gz BOHGSSCHHXGGLT-WDEREUQCSA-N 1 0 245.319 0.411 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N[C@H](C)CCC(=O)OCC ZINC000182857485 386434927 /nfs/dbraw/zinc/43/49/27/386434927.db2.gz YLNPYBNGSAPBAL-ZJUUUORDSA-N 1 0 244.335 0.962 10 0 BCAERO CCCCNC(=O)C[N@@H+]1C[C@H](O)CC[C@@H]1C ZINC000399278268 386476228 /nfs/dbraw/zinc/47/62/28/386476228.db2.gz YUMHVUIHMLZFSY-WDEREUQCSA-N 1 0 228.336 0.748 10 0 BCAERO C[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCC[NH2+]C1 ZINC000061645020 386476919 /nfs/dbraw/zinc/47/69/19/386476919.db2.gz CLKRLHOOUJPSSF-RYUDHWBXSA-N 1 0 239.363 0.539 10 0 BCAERO CN(C[C@H]1CCCCO1)C(=O)[C@H]1CC[NH2+]C1 ZINC000062116425 386502762 /nfs/dbraw/zinc/50/27/62/386502762.db2.gz VIXNQYFQGGNWKD-WDEREUQCSA-N 1 0 226.320 0.623 10 0 BCAERO [NH3+][C@H]1C[C@@H](C(=O)N2CCO[C@@H]3CCCC[C@@H]32)C1 ZINC000647994241 386513852 /nfs/dbraw/zinc/51/38/52/386513852.db2.gz YHLXAXVDLJFDOB-WHOHXGKFSA-N 1 0 238.331 0.894 10 0 BCAERO C[C@H](C[C@H](C)[NH3+])Nc1cn[nH]c(=O)c1Cl ZINC000320479711 386515719 /nfs/dbraw/zinc/51/57/19/386515719.db2.gz GSXIHGPIFXVDLC-NTSWFWBYSA-N 1 0 230.699 0.961 10 0 BCAERO CC(C)[C@@H]([NH3+])C(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000094459744 386454017 /nfs/dbraw/zinc/45/40/17/386454017.db2.gz BNWBCLOOZVWAIW-QJPTWQEYSA-N 1 0 239.363 0.665 10 0 BCAERO [NH3+]CCN1Cc2ccccc2S1(=O)=O ZINC000521401321 386458099 /nfs/dbraw/zinc/45/80/99/386458099.db2.gz MHDMGXFGAGWKJI-UHFFFAOYSA-N 1 0 212.274 0.150 10 0 BCAERO C[C@H]1CC[C@H](O)C[N@@H+]1CCCCCO ZINC000399236148 386463139 /nfs/dbraw/zinc/46/31/39/386463139.db2.gz DZQYVUYRYMNYOC-QWRGUYRKSA-N 1 0 201.310 0.994 10 0 BCAERO C[C@H]1CC[C@@H](O)C[N@@H+]1CCCCCO ZINC000399236149 386463205 /nfs/dbraw/zinc/46/32/05/386463205.db2.gz DZQYVUYRYMNYOC-WDEREUQCSA-N 1 0 201.310 0.994 10 0 BCAERO CS(=O)(=O)C[C@H]([NH3+])c1ccc(F)cc1 ZINC000052788777 386596489 /nfs/dbraw/zinc/59/64/89/386596489.db2.gz WWUIFSGWFJSHQL-VIFPVBQESA-N 1 0 217.265 0.870 10 0 BCAERO C[NH+](C)[C@@H]1CC[C@@H](NC(=O)CC(C)(C)O)C1 ZINC000337151932 386619819 /nfs/dbraw/zinc/61/98/19/386619819.db2.gz MBZGXIKIGFISJI-NXEZZACHSA-N 1 0 228.336 0.746 10 0 BCAERO COC(=O)CCC[NH2+][C@@H]1CCC(=O)N[C@@H]1C ZINC000336758003 386623721 /nfs/dbraw/zinc/62/37/21/386623721.db2.gz HZHWALZYCKRUJS-RKDXNWHRSA-N 1 0 228.292 0.196 10 0 BCAERO CCCc1nsc(N(C)CCOCC[NH3+])n1 ZINC000301047189 386641521 /nfs/dbraw/zinc/64/15/21/386641521.db2.gz PHKHFHZTRMCFMZ-UHFFFAOYSA-N 1 0 244.364 0.902 10 0 BCAERO C[C@H]([NH3+])C(=O)NC1(CO)CCCCC1 ZINC000053127118 386654440 /nfs/dbraw/zinc/65/44/40/386654440.db2.gz WPKQEXMYTAACBZ-QMMMGPOBSA-N 1 0 200.282 0.145 10 0 BCAERO Cc1cnccc1C[NH2+]C[C@H]1CN(C)CCO1 ZINC000228674087 386600621 /nfs/dbraw/zinc/60/06/21/386600621.db2.gz ITWAHHNHIKMESH-ZDUSSCGKSA-N 1 0 235.331 0.810 10 0 BCAERO O=C1CCCN1C[C@@H](O)C[NH+]1CCCC1 ZINC000336645018 386603140 /nfs/dbraw/zinc/60/31/40/386603140.db2.gz HIBMSKLXXUCGCM-JTQLQIEISA-N 1 0 212.293 0.066 10 0 BCAERO Cn1ccc(CC(=O)N2CCCC[C@H]2C[NH3+])n1 ZINC000335487439 386603587 /nfs/dbraw/zinc/60/35/87/386603587.db2.gz KBJZCMWABOXXFL-NSHDSACASA-N 1 0 236.319 0.302 10 0 BCAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)CNC(=O)C(C)(C)C ZINC000335471278 386691730 /nfs/dbraw/zinc/69/17/30/386691730.db2.gz SDHHSNRMZICAHO-BDAKNGLRSA-N 1 0 241.335 0.097 10 0 BCAERO COc1ccc(C(N)=O)cc1CCC[NH3+] ZINC000575448633 386716602 /nfs/dbraw/zinc/71/66/02/386716602.db2.gz AVFZKXYQSQDBKM-UHFFFAOYSA-N 1 0 208.261 0.685 10 0 BCAERO [NH3+]C[C@@H]1CCCCN1C(=O)c1ncccc1O ZINC000044542069 386724122 /nfs/dbraw/zinc/72/41/22/386724122.db2.gz DCFCJEOADVFPOA-VIFPVBQESA-N 1 0 235.287 0.741 10 0 BCAERO C[C@H](C[NH2+]Cc1cocn1)N1CCOCC1 ZINC000192283036 386753674 /nfs/dbraw/zinc/75/36/74/386753674.db2.gz XDNZCSKQQOQXNG-SNVBAGLBSA-N 1 0 225.292 0.485 10 0 BCAERO CC1(C)C[NH2+][C@H]1C(=O)NCC[C@@H]1CCCO1 ZINC000645333872 386742013 /nfs/dbraw/zinc/74/20/13/386742013.db2.gz KSMBVRTWHRWBJR-UWVGGRQHSA-N 1 0 226.320 0.670 10 0 BCAERO C1NOC[C@@H]1[NH2+][C@H]1CCCSCC1 ZINC000575449301 386791144 /nfs/dbraw/zinc/79/11/44/386791144.db2.gz GSRYCDKLCMTPBR-DTWKUNHWSA-N 1 0 202.323 0.765 10 0 BCAERO COc1cc(F)c([C@@H](N)C[NH3+])cc1OC ZINC000044469698 386779008 /nfs/dbraw/zinc/77/90/08/386779008.db2.gz PNJJWVWDULGMBB-QMMMGPOBSA-N 1 0 214.240 0.801 10 0 BCAERO Cc1c(C[NH2+]CC2([S@@](C)=O)CC2)cnn1C ZINC000336667239 386783652 /nfs/dbraw/zinc/78/36/52/386783652.db2.gz FPKNDSZVDGKPCP-MRXNPFEDSA-N 1 0 241.360 0.729 10 0 BCAERO CO[C@H]1C[C@@H]([NH2+][C@@H]2COC[C@H]2O)C12CCC2 ZINC000308349433 386822880 /nfs/dbraw/zinc/82/28/80/386822880.db2.gz SUUUADGUTABHIO-DBIOUOCHSA-N 1 0 227.304 0.293 10 0 BCAERO Cc1c(C[NH2+]C[C@H]2COCCO2)cnn1C ZINC000086551983 386812518 /nfs/dbraw/zinc/81/25/18/386812518.db2.gz NDQTWTQVFQJBHX-NSHDSACASA-N 1 0 225.292 0.234 10 0 BCAERO [NH3+][C@H]1CC=C(C(=O)N[C@H]2CCCOC2)C1 ZINC000637981024 386836035 /nfs/dbraw/zinc/83/60/35/386836035.db2.gz CIEHINRJNFEPDR-UWVGGRQHSA-N 1 0 210.277 0.329 10 0 BCAERO C[C@H](C[NH3+])N(C)c1ccc(S(C)(=O)=O)cc1 ZINC000125488014 386849072 /nfs/dbraw/zinc/84/90/72/386849072.db2.gz SYGBNOYIBFPGGQ-SECBINFHSA-N 1 0 242.344 0.874 10 0 BCAERO Cc1nn(C)cc1C[N@@H+]1CC[C@H](n2ccnn2)C1 ZINC000585379379 386852730 /nfs/dbraw/zinc/85/27/30/386852730.db2.gz KCZMQRGPMRVPMB-LBPRGKRZSA-N 1 0 246.318 0.767 10 0 BCAERO C[C@H](C[NH2+]CC1(C)COC1)N1CCOCC1 ZINC000336744513 386858540 /nfs/dbraw/zinc/85/85/40/386858540.db2.gz QCBLZGUTKXBHNQ-LLVKDONJSA-N 1 0 228.336 0.333 10 0 BCAERO Cc1nnc(N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)s1 ZINC000301623756 386861878 /nfs/dbraw/zinc/86/18/78/386861878.db2.gz AAFFUIDPFDCBIQ-BDAKNGLRSA-N 1 0 240.332 0.366 10 0 BCAERO CO[C@H](C)[C@H](C)[NH2+][C@H]1CCC(=O)N[C@@H]1C ZINC000336762582 386930849 /nfs/dbraw/zinc/93/08/49/386930849.db2.gz NYBMCFZVYSXJNI-JLIMGVALSA-N 1 0 214.309 0.667 10 0 BCAERO CO[C@H](C)C(=O)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186502198 386957375 /nfs/dbraw/zinc/95/73/75/386957375.db2.gz MFRSGKFZLUISRX-ZJUUUORDSA-N 1 0 226.320 0.764 10 0 BCAERO CN(C)C(=O)CC[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000398710570 386958307 /nfs/dbraw/zinc/95/83/07/386958307.db2.gz OOAMBXVWCGXSAH-QJPTWQEYSA-N 1 0 240.347 0.558 10 0 BCAERO C[C@H](C(=O)N(C)C)[N@@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000398713850 386963651 /nfs/dbraw/zinc/96/36/51/386963651.db2.gz POSUYYBZGDPIBK-RHYQMDGZSA-N 1 0 240.347 0.556 10 0 BCAERO CC(C)C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000116787879 386976057 /nfs/dbraw/zinc/97/60/57/386976057.db2.gz MZVWBAPHSQWING-JTQLQIEISA-N 1 0 214.309 0.431 10 0 BCAERO COC[C@H](C)C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000116797160 386978484 /nfs/dbraw/zinc/97/84/84/386978484.db2.gz IKKLUZHICFNUOK-WDEREUQCSA-N 1 0 244.335 0.058 10 0 BCAERO OCCCC[N@@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000398738866 386980737 /nfs/dbraw/zinc/98/07/37/386980737.db2.gz FLTNFJBRXIIKII-SRVKXCTJSA-N 1 0 213.321 0.852 10 0 BCAERO C[C@@H]1CC[C@H]([NH2+][C@H]2CNOC2)CS1 ZINC000575575251 386994062 /nfs/dbraw/zinc/99/40/62/386994062.db2.gz GGEFPODQOZMDNG-VGMNWLOBSA-N 1 0 202.323 0.764 10 0 BCAERO Fc1ccccc1CN1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000334822957 386952147 /nfs/dbraw/zinc/95/21/47/386952147.db2.gz ZONXCWSHINCWDP-QWHCGFSZSA-N 1 0 236.290 0.998 10 0 BCAERO O=S1(=O)CCCC[C@H]1CC1C[NH2+]C1 ZINC000575459727 387037590 /nfs/dbraw/zinc/03/75/90/387037590.db2.gz LPFSDDCONPLIPE-VIFPVBQESA-N 1 0 203.307 0.563 10 0 BCAERO Cn1nc(Br)cc1[C@@H](O)C[NH3+] ZINC000575460420 387037634 /nfs/dbraw/zinc/03/76/34/387037634.db2.gz NXELHHRZUFVCEC-YFKPBYRVSA-N 1 0 220.070 0.175 10 0 BCAERO C[C@@H]1CC[NH2+][C@H]1C(=O)NC1CSC1 ZINC000575578268 387043936 /nfs/dbraw/zinc/04/39/36/387043936.db2.gz HKINTZNCOBYRGW-HTRCEHHLSA-N 1 0 200.307 0.216 10 0 BCAERO O[C@H](c1cnsc1)[C@H]1CSCC[NH2+]1 ZINC000575464520 387044602 /nfs/dbraw/zinc/04/46/02/387044602.db2.gz WJDTVGNEKWKKJQ-HTQZYQBOSA-N 1 0 216.331 0.882 10 0 BCAERO C[C@H]1C[NH2+]C[C@H]1C(=O)NC1CSC1 ZINC000575579460 387048601 /nfs/dbraw/zinc/04/86/01/387048601.db2.gz LBSTUNCDSJVVEZ-POYBYMJQSA-N 1 0 200.307 0.074 10 0 BCAERO [NH3+][C@H]1CCO[C@H]1C(=O)NCc1ccccc1 ZINC000575583919 387061354 /nfs/dbraw/zinc/06/13/54/387061354.db2.gz NRLRQKQKNHRQJZ-WDEREUQCSA-N 1 0 220.272 0.419 10 0 BCAERO OC[C@H]1Cc2occc2CN1Cc1c[nH]cn1 ZINC000575407952 387010325 /nfs/dbraw/zinc/01/03/25/387010325.db2.gz ZVNCLVASNUZGET-LLVKDONJSA-N 1 0 233.271 0.922 10 0 BCAERO CN1CC[C@H]([N@@H+]2C[C@@H]3CC[C@H](O)C[C@H]3C2)C1=O ZINC000398893875 387013379 /nfs/dbraw/zinc/01/33/79/387013379.db2.gz KJHHVUFCZIVODS-BJDJZHNGSA-N 1 0 238.331 0.310 10 0 BCAERO CN1CC[C@H]([N@@H+]2C[C@@H]3CC[C@@H](O)C[C@@H]3C2)C1=O ZINC000398893879 387013513 /nfs/dbraw/zinc/01/35/13/387013513.db2.gz KJHHVUFCZIVODS-QCNOEVLYSA-N 1 0 238.331 0.310 10 0 BCAERO CC[C@H]1CN(C(=O)C2CC2)CC[N@@H+]1CCOC ZINC000117300014 387014599 /nfs/dbraw/zinc/01/45/99/387014599.db2.gz XFGYPZKNNCJRIN-LBPRGKRZSA-N 1 0 240.347 0.966 10 0 BCAERO C[NH2+][C@H]1CCCN(S(=O)(=O)C(C)C)C1 ZINC000053202876 387022104 /nfs/dbraw/zinc/02/21/04/387022104.db2.gz NSAVKNVRUDFGPZ-VIFPVBQESA-N 1 0 220.338 0.408 10 0 BCAERO [NH3+][C@@H]1CCCN(CC2CSC2)C1=O ZINC000575458137 387024791 /nfs/dbraw/zinc/02/47/91/387024791.db2.gz PUWQREFUNGKCSZ-MRVPVSSYSA-N 1 0 200.307 0.299 10 0 BCAERO O=C(NCc1ccccc1)[C@@]12C[NH2+]C[C@H]1CCO2 ZINC000575456407 387026852 /nfs/dbraw/zinc/02/68/52/387026852.db2.gz UXBPHOWBAKSKPK-TZMCWYRMSA-N 1 0 246.310 0.681 10 0 BCAERO O[C@@H](C1=COCC1)[C@@H]1C[NH2+]CCS1 ZINC000575458849 387029549 /nfs/dbraw/zinc/02/95/49/387029549.db2.gz QYJWHCNNWRRMDF-IUCAKERBSA-N 1 0 201.291 0.357 10 0 BCAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1CC(=O)N(C)C ZINC000246342172 387076132 /nfs/dbraw/zinc/07/61/32/387076132.db2.gz UVJJIXMEHSHJJN-RYUDHWBXSA-N 1 0 239.363 0.633 10 0 BCAERO O[C@@H](c1ccns1)[C@@H]1C[NH2+]CCS1 ZINC000575468767 387085184 /nfs/dbraw/zinc/08/51/84/387085184.db2.gz FICPVQHDJPMKFX-YUMQZZPRSA-N 1 0 216.331 0.882 10 0 BCAERO COc1cc([C@H]2C[C@@H]([NH3+])CO2)sn1 ZINC000575472447 387104421 /nfs/dbraw/zinc/10/44/21/387104421.db2.gz RIYUTDPFFBHBQM-PHDIDXHHSA-N 1 0 200.263 0.940 10 0 BCAERO C[C@@H]([NH3+])[C@@H]1CCN(c2ccnc(N(C)C)n2)C1 ZINC000127367347 387116855 /nfs/dbraw/zinc/11/68/55/387116855.db2.gz QHNDENSOYXTABU-NXEZZACHSA-N 1 0 235.335 0.716 10 0 BCAERO COC(=O)CCNC(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000070502907 387068290 /nfs/dbraw/zinc/06/82/90/387068290.db2.gz LYFMEFFXPXHTLD-DTWKUNHWSA-N 1 0 228.292 0.183 10 0 BCAERO CC1(C)CCC([C@@H](O)[C@H]([NH3+])CO)CC1 ZINC000306690585 387159550 /nfs/dbraw/zinc/15/95/50/387159550.db2.gz MRFATEOTGWGPFZ-NXEZZACHSA-N 1 0 201.310 0.883 10 0 BCAERO COCCN1C(=O)c2ccccc2[C@@H]1C[NH3+] ZINC000536949483 387160426 /nfs/dbraw/zinc/16/04/26/387160426.db2.gz AHYOOTAIVSMPMY-NSHDSACASA-N 1 0 220.272 0.789 10 0 BCAERO C[C@@H](C[NH3+])Nc1cnn(C)c1Br ZINC000575478449 387161821 /nfs/dbraw/zinc/16/18/21/387161821.db2.gz GCUGHTJWBOFFCX-YFKPBYRVSA-N 1 0 233.113 0.942 10 0 BCAERO COc1cccc2c1C(=O)N(C)[C@H]2C[NH3+] ZINC000536956158 387169717 /nfs/dbraw/zinc/16/97/17/387169717.db2.gz VZBVGIXURGIZLX-QMMMGPOBSA-N 1 0 206.245 0.781 10 0 BCAERO [NH3+][C@H]1C[C@H](CN=S2(=O)CCCC2)C1 ZINC000575482200 387183515 /nfs/dbraw/zinc/18/35/15/387183515.db2.gz FCJHKYNYMZNZSX-KYZUINATSA-N 1 0 202.323 0.986 10 0 BCAERO CO[C@@H]1C[C@@H](CO)[N@H+](Cc2cncs2)C1 ZINC000284658691 387206194 /nfs/dbraw/zinc/20/61/94/387206194.db2.gz VYOJUNLGJAMATA-DTWKUNHWSA-N 1 0 228.317 0.725 10 0 BCAERO NC1=[NH+]CC2(COC2)N1Cc1ccccc1 ZINC000575484200 387197263 /nfs/dbraw/zinc/19/72/63/387197263.db2.gz VMIZWLUHOHHPJJ-UHFFFAOYSA-N 1 0 217.272 0.796 10 0 BCAERO COCC[C@@](C)(O)C[NH2+]Cc1cnn(C)c1C ZINC000229811288 387200102 /nfs/dbraw/zinc/20/01/02/387200102.db2.gz IKYNQRTUSSKYJT-GFCCVEGCSA-N 1 0 241.335 0.606 10 0 BCAERO CCn1ccnc1C[NH2+][C@H]1CCC(=O)N[C@H]1C ZINC000393062506 387315276 /nfs/dbraw/zinc/31/52/76/387315276.db2.gz VIVVMBREOHNFJL-UWVGGRQHSA-N 1 0 236.319 0.660 10 0 BCAERO C[C@@H]([NH2+]C[C@@H]1CN(C)CCO1)c1ccnn1C ZINC000192252165 387315573 /nfs/dbraw/zinc/31/55/73/387315573.db2.gz GQWCKBOIKGTNQQ-GHMZBOCLSA-N 1 0 238.335 0.401 10 0 BCAERO CC(C)(C)[C@H]([NH3+])[C@@H]1CCCS1(=O)=O ZINC000575493706 387267404 /nfs/dbraw/zinc/26/74/04/387267404.db2.gz TULIMRNZGRLEFU-JGVFFNPUSA-N 1 0 205.323 0.937 10 0 BCAERO CC(C)(C)[C@@H]([NH3+])[C@H]1CCCS1(=O)=O ZINC000575493708 387268349 /nfs/dbraw/zinc/26/83/49/387268349.db2.gz TULIMRNZGRLEFU-SFYZADRCSA-N 1 0 205.323 0.937 10 0 BCAERO Cn1c(Cl)ncc1[C@@H](O)C1([NH3+])CC1 ZINC000575491449 387276417 /nfs/dbraw/zinc/27/64/17/387276417.db2.gz CFBVIPNOIAPYKT-ZCFIWIBFSA-N 1 0 201.657 0.598 10 0 BCAERO CCOC(=O)COCC[NH2+]C[C@@H](O)C(C)(C)C ZINC000324498878 387291048 /nfs/dbraw/zinc/29/10/48/387291048.db2.gz NMXFUIQMYVFFTR-SNVBAGLBSA-N 1 0 247.335 0.563 10 0 BCAERO CC(C)OC[C@H](O)C[NH2+][C@@H]1CCC(=O)N[C@@H]1C ZINC000392925780 387301780 /nfs/dbraw/zinc/30/17/80/387301780.db2.gz MENUZGHJFRJARJ-GMTAPVOTSA-N 1 0 244.335 0.029 10 0 BCAERO C[C@H]1C[C@@H]([NH2+][C@H]2CCC(=O)N[C@H]2C)CCN1C ZINC000392942944 387303214 /nfs/dbraw/zinc/30/32/14/387303214.db2.gz QRBDWZXZFHWXFC-BJDJZHNGSA-N 1 0 239.363 0.726 10 0 BCAERO C[C@@H]1CSC[C@@H]1[NH2+][C@H]1CCC(=O)N[C@H]1C ZINC000392931286 387303413 /nfs/dbraw/zinc/30/34/13/387303413.db2.gz KKQYEIBFDCOFBC-KATARQTJSA-N 1 0 228.361 0.995 10 0 BCAERO COc1ncccc1C[NH2+][C@H]1CCC(=O)N[C@@H]1C ZINC000392984404 387306659 /nfs/dbraw/zinc/30/66/59/387306659.db2.gz UBEDZHNQQHFORD-KOLCDFICSA-N 1 0 249.314 0.847 10 0 BCAERO CN(C)c1nccc(N2CC[C@](C)(C[NH3+])C2)n1 ZINC000234273188 387307637 /nfs/dbraw/zinc/30/76/37/387307637.db2.gz XSZXVXKJZHCETD-GFCCVEGCSA-N 1 0 235.335 0.718 10 0 BCAERO CCCNC(=O)[C@H](C)[NH2+][C@@H]1CCC(=O)N[C@H]1C ZINC000393002376 387307801 /nfs/dbraw/zinc/30/78/01/387307801.db2.gz LUNNNHRKNSKASC-LPEHRKFASA-N 1 0 241.335 0.158 10 0 BCAERO C[C@H](O)CC[NH2+][C@@H]1CCC(=O)N[C@@H]1C ZINC000393025206 387309064 /nfs/dbraw/zinc/30/90/64/387309064.db2.gz HZYXYCFZVCIPBK-DJLDLDEBSA-N 1 0 200.282 0.014 10 0 BCAERO COC[C@@H]1CCCN1C(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000648575919 387356168 /nfs/dbraw/zinc/35/61/68/387356168.db2.gz ZYWMINLCKJTWHB-OUAUKWLOSA-N 1 0 226.320 0.479 10 0 BCAERO C[C@H]([NH3+])[C@](C)(O)c1cnc(Cl)n1C ZINC000575507907 387369193 /nfs/dbraw/zinc/36/91/93/387369193.db2.gz NVMPAHNLTMCCGV-XNCJUZBTSA-N 1 0 203.673 0.628 10 0 BCAERO COc1ncc([C@@H]2C[C@H]([NH3+])CO2)s1 ZINC000575508126 387370871 /nfs/dbraw/zinc/37/08/71/387370871.db2.gz KINWELODXLONRD-WDSKDSINSA-N 1 0 200.263 0.940 10 0 BCAERO Cn1ncc(Br)c1[C@@H]1C[C@@H]([NH3+])CO1 ZINC000575507500 387376294 /nfs/dbraw/zinc/37/62/94/387376294.db2.gz HWUMOAVUDFVBCF-VDTYLAMSSA-N 1 0 246.108 0.971 10 0 BCAERO [NH3+][C@@H]1CC[C@H]1C[C@@H]1CCCS1(=O)=O ZINC000575497363 387335572 /nfs/dbraw/zinc/33/55/72/387335572.db2.gz XHLRXLCPHKGNJB-XHNCKOQMSA-N 1 0 203.307 0.691 10 0 BCAERO O=c1[nH]ncc(N[C@H]2CC[NH2+]C2)c1Cl ZINC000073736236 387352097 /nfs/dbraw/zinc/35/20/97/387352097.db2.gz ZQBWEZONPQMTRO-YFKPBYRVSA-N 1 0 214.656 0.197 10 0 BCAERO C[C@@H]([NH3+])[C@H](C)C1CCS(=O)(=O)CC1 ZINC000575516797 387424813 /nfs/dbraw/zinc/42/48/13/387424813.db2.gz CCROYZDYOYRIGA-JGVFFNPUSA-N 1 0 205.323 0.795 10 0 BCAERO C[C@]1([C@@H]2C[NH2+]CCO2)NCCCS1 ZINC000575517143 387429965 /nfs/dbraw/zinc/42/99/65/387429965.db2.gz GLZZRRCIDOJVRE-IUCAKERBSA-N 1 0 202.323 0.418 10 0 BCAERO C([C@@H]1C[NH2+]CCS1)N1CCSCC1 ZINC000575522750 387444189 /nfs/dbraw/zinc/44/41/89/387444189.db2.gz GHYJWQXEIVPYFE-VIFPVBQESA-N 1 0 218.391 0.740 10 0 BCAERO Cn1ccnc1C[NH2+][C@H]1CCC[C@@H](O)C1 ZINC000051923442 387450706 /nfs/dbraw/zinc/45/07/06/387450706.db2.gz XIOSQIJNWUMDOG-VHSXEESVSA-N 1 0 209.293 0.813 10 0 BCAERO C[C@@H]([NH3+])C(=O)Nc1cnn(C)c1Cl ZINC000575523626 387458136 /nfs/dbraw/zinc/45/81/36/387458136.db2.gz UDPHWJXVLJGGCR-SCSAIBSYSA-N 1 0 202.645 0.359 10 0 BCAERO C[C@H]1CSCCN1C1(C[NH3+])COC1 ZINC000575514221 387386641 /nfs/dbraw/zinc/38/66/41/387386641.db2.gz WOMUXPHVRYMIAG-QMMMGPOBSA-N 1 0 202.323 0.151 10 0 BCAERO C[N@H+](CCN1CCOCC1)[C@H]1CCC[C@H]1O ZINC000352657569 387422216 /nfs/dbraw/zinc/42/22/16/387422216.db2.gz GQWZNMAOSRLEFB-NWDGAFQWSA-N 1 0 228.336 0.164 10 0 BCAERO CO[C@H]1C[NH2+][C@@H](C(=O)NCc2ccco2)C1 ZINC000040629407 387499835 /nfs/dbraw/zinc/49/98/35/387499835.db2.gz LUSLTMHHPDBPRO-NXEZZACHSA-N 1 0 224.260 0.273 10 0 BCAERO Cc1cc(CNC(=O)[C@H]2CCC[C@@H]([NH3+])C2)[nH]n1 ZINC000648079659 387508055 /nfs/dbraw/zinc/50/80/55/387508055.db2.gz IZESFKHJPISMEU-VHSXEESVSA-N 1 0 236.319 0.852 10 0 BCAERO Cc1cc(CNC(=O)[C@@H]2CCC[C@H]([NH3+])C2)[nH]n1 ZINC000648079660 387508310 /nfs/dbraw/zinc/50/83/10/387508310.db2.gz IZESFKHJPISMEU-ZJUUUORDSA-N 1 0 236.319 0.852 10 0 BCAERO Cc1cc(CNC(=O)[C@@H]2CC[C@@H]([NH3+])C2)[nH]n1 ZINC000648079857 387509971 /nfs/dbraw/zinc/50/99/71/387509971.db2.gz YPBPCJWAWFLWIK-RKDXNWHRSA-N 1 0 222.292 0.462 10 0 BCAERO COc1cccc(C[NH2+][C@H]2CCOC[C@H]2O)c1 ZINC000623765280 387543516 /nfs/dbraw/zinc/54/35/16/387543516.db2.gz QBFJHXZXCGQCBS-QWHCGFSZSA-N 1 0 237.299 0.935 10 0 BCAERO N[C@]1(c2nnc[nH]2)CC[N@H+](Cc2ccccc2)C1 ZINC000575525000 387528618 /nfs/dbraw/zinc/52/86/18/387528618.db2.gz VZDZZJXKBDLXCP-CYBMUJFWSA-N 1 0 243.314 0.865 10 0 BCAERO [NH2+]=C(NCc1ccccc1)N[C@@H]1CCNC1=O ZINC000575526549 387533970 /nfs/dbraw/zinc/53/39/70/387533970.db2.gz VAZFOOHXISABDJ-SNVBAGLBSA-N 1 0 232.287 0.189 10 0 BCAERO C[C@H]1CN(C)C[C@H](CNC(=O)C(F)(F)F)O1 ZINC000575526630 387535382 /nfs/dbraw/zinc/53/53/82/387535382.db2.gz XEBSOZLCZJXDPI-BQBZGAKWSA-N 1 0 240.225 0.384 10 0 BCAERO Cn1ncc(Cl)c1[C@@H](O)C1([NH3+])CC1 ZINC000575528753 387539961 /nfs/dbraw/zinc/53/99/61/387539961.db2.gz VDQMYCYMZXUQHR-SSDOTTSWSA-N 1 0 201.657 0.598 10 0 BCAERO COC[C@H]([NH2+]C[C@H](C)N1CCOCC1)C1CC1 ZINC000123569775 387586376 /nfs/dbraw/zinc/58/63/76/387586376.db2.gz PBQWNJAZEKOASC-AAEUAGOBSA-N 1 0 242.363 0.722 10 0 BCAERO C[C@H]1[C@H](O)CCC[N@@H+]1CCc1cn[nH]c1 ZINC000298048590 387593892 /nfs/dbraw/zinc/59/38/92/387593892.db2.gz IJWIBMNYNRHIIL-GXSJLCMTSA-N 1 0 209.293 0.797 10 0 BCAERO CC[C@@H](C)OCC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000124020585 387602496 /nfs/dbraw/zinc/60/24/96/387602496.db2.gz IOCGJPJLCXYTKB-GHMZBOCLSA-N 1 0 228.336 0.964 10 0 BCAERO C[NH+](C)C[C@@H]1CN(C(=O)[C@H]2CC2(C)C)CCO1 ZINC000124249392 387611036 /nfs/dbraw/zinc/61/10/36/387611036.db2.gz OKHIAWANVGBSPP-GHMZBOCLSA-N 1 0 240.347 0.822 10 0 BCAERO C[C@H]1CC[C@@H]([NH3+])CN1C(=O)C(F)(F)F ZINC000575530886 387552857 /nfs/dbraw/zinc/55/28/57/387552857.db2.gz ILHWFWSWZKJSIT-NTSWFWBYSA-N 1 0 210.199 0.887 10 0 BCAERO CC[S@](=O)N1C[C@H]2C[NH2+]C[C@]2(C)C1 ZINC000575555647 387694188 /nfs/dbraw/zinc/69/41/88/387694188.db2.gz AHKQAKDSOAXHOZ-KKFJDGPESA-N 1 0 202.323 0.211 10 0 BCAERO CN(C)C[C@H](O)C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000305776415 387649851 /nfs/dbraw/zinc/64/98/51/387649851.db2.gz KRCXUJGAFZSWEQ-WRWGMCAJSA-N 1 0 242.363 0.312 10 0 BCAERO CC[C@@H](C)C1([NH3+])CCS(=O)(=O)CC1 ZINC000575558611 387696983 /nfs/dbraw/zinc/69/69/83/387696983.db2.gz XNNPQHIADUOCNQ-MRVPVSSYSA-N 1 0 205.323 0.939 10 0 BCAERO CS(=O)(=O)[C@H]1CCC[C@]1([NH3+])C1CC1 ZINC000575560307 387698076 /nfs/dbraw/zinc/69/80/76/387698076.db2.gz IKTPKASIEBMNCN-IUCAKERBSA-N 1 0 203.307 0.691 10 0 BCAERO Cc1cc2c(N(C)CC[NH3+])nccn2n1 ZINC000156981263 387705813 /nfs/dbraw/zinc/70/58/13/387705813.db2.gz KGFUCGRALCPQDH-UHFFFAOYSA-N 1 0 205.265 0.433 10 0 BCAERO CC(C)[C@@]1([NH3+])CCC[C@H]1S(C)(=O)=O ZINC000575561840 387706638 /nfs/dbraw/zinc/70/66/38/387706638.db2.gz UWRAMJIQTQRHSX-BDAKNGLRSA-N 1 0 205.323 0.937 10 0 BCAERO CS[C@@H]1CC[C@H]1N1C[C@@H]([NH3+])CC1=O ZINC000575565145 387725039 /nfs/dbraw/zinc/72/50/39/387725039.db2.gz DPMRLSXUDSXZGB-XLPZGREQSA-N 1 0 200.307 0.440 10 0 BCAERO [NH3+][C@@]1(C2CC2)CCCS(=O)(=O)CC1 ZINC000575567673 387735961 /nfs/dbraw/zinc/73/59/61/387735961.db2.gz KEGVPLWTKYAFTF-VIFPVBQESA-N 1 0 203.307 0.693 10 0 BCAERO C[C@H]1C(=O)NN[C@@]12CC[N@H+](Cc1ccccc1)C2 ZINC000575570196 387736501 /nfs/dbraw/zinc/73/65/01/387736501.db2.gz SHQAHSIJIIODDY-SMDDNHRTSA-N 1 0 245.326 0.902 10 0 BCAERO COCC1(NC(=O)[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000309506202 387811994 /nfs/dbraw/zinc/81/19/94/387811994.db2.gz VYYCAENCLQIQII-BDAKNGLRSA-N 1 0 212.293 0.409 10 0 BCAERO CN(CC(=O)N1CCCC1)[C@H]1CCC[NH2+]CC1 ZINC000129483821 387771212 /nfs/dbraw/zinc/77/12/12/387771212.db2.gz LPQJBBFQAJWFCY-LBPRGKRZSA-N 1 0 239.363 0.683 10 0 BCAERO Cc1cccc(N2CCO[C@@H]([C@@H](C)[NH3+])C2)n1 ZINC000169211679 387794187 /nfs/dbraw/zinc/79/41/87/387794187.db2.gz CUMQBWRNSZCMMZ-GHMZBOCLSA-N 1 0 221.304 0.942 10 0 BCAERO Cc1ccnc(N2CCO[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000169207754 387794629 /nfs/dbraw/zinc/79/46/29/387794629.db2.gz IGIOJCWEOUVRGP-GHMZBOCLSA-N 1 0 221.304 0.942 10 0 BCAERO CC[C@@H](COC)[NH2+]C[C@@H](O)CN1CCCCC1 ZINC000151335487 387822448 /nfs/dbraw/zinc/82/24/48/387822448.db2.gz ZMYHYVBNEGHQTD-QWHCGFSZSA-N 1 0 244.379 0.848 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)NC[C@H](O)CCC ZINC000157623775 387859295 /nfs/dbraw/zinc/85/92/95/387859295.db2.gz RSTHJIVMHIBBNA-RKDXNWHRSA-N 1 0 202.298 0.391 10 0 BCAERO C[C@@H](NC(=O)C(C)(C)[NH3+])[C@H]1CCCO1 ZINC000040920724 387896418 /nfs/dbraw/zinc/89/64/18/387896418.db2.gz QIOVDYCLLOXGIY-HTQZYQBOSA-N 1 0 200.282 0.407 10 0 BCAERO Cc1occc1C(=O)NC[C@@H]1CN(C)CCO1 ZINC000194628339 387888649 /nfs/dbraw/zinc/88/86/49/387888649.db2.gz GJYJUXUTOGNTKY-SNVBAGLBSA-N 1 0 238.287 0.648 10 0 BCAERO C[C@H](NC(=O)[C@@H]1CCCC[NH2+]1)[C@H]1CCCO1 ZINC000035734994 387936169 /nfs/dbraw/zinc/93/61/69/387936169.db2.gz YMRLWWAYHHKLHN-GARJFASQSA-N 1 0 226.320 0.812 10 0 BCAERO NC(=O)C[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000195515732 387921422 /nfs/dbraw/zinc/92/14/22/387921422.db2.gz KBDQMPDRDJMLLE-SNVBAGLBSA-N 1 0 234.303 0.301 10 0 BCAERO CO[C@@H]1C[C@H](N[C@H]2CC[NH2+]C2)C12CCC2 ZINC000423167228 387952272 /nfs/dbraw/zinc/95/22/72/387952272.db2.gz DVQSIEIAWHLGKF-GARJFASQSA-N 1 0 210.321 0.896 10 0 BCAERO CC(C)n1nnnc1C[NH2+][C@@H]1CCOC[C@@H]1C ZINC000433184201 387965650 /nfs/dbraw/zinc/96/56/50/387965650.db2.gz XQTALKMDTPZLFA-VHSXEESVSA-N 1 0 239.323 0.769 10 0 BCAERO CC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)COC)C1 ZINC000245821972 387985585 /nfs/dbraw/zinc/98/55/85/387985585.db2.gz MFUSCKQBGPZZRB-GHMZBOCLSA-N 1 0 228.336 0.869 10 0 BCAERO C[C@@H]1C[NH2+]CCN1c1ccnc(N(C)C)n1 ZINC000082924375 388043158 /nfs/dbraw/zinc/04/31/58/388043158.db2.gz KGGCKKQXBJSESC-SECBINFHSA-N 1 0 221.308 0.341 10 0 BCAERO CN(C)c1nccc(N2CCC[C@@H]2C[NH3+])n1 ZINC000082924448 388043391 /nfs/dbraw/zinc/04/33/91/388043391.db2.gz VAXWTOYGBVBUEW-SECBINFHSA-N 1 0 221.308 0.470 10 0 BCAERO COC[C@H](C)[N@@H+]1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000246300654 388029533 /nfs/dbraw/zinc/02/95/33/388029533.db2.gz BVCHINKVKLANAU-FRRDWIJNSA-N 1 0 242.363 0.674 10 0 BCAERO CSC[C@@H](C)C(=O)NC[C@H]1CC[NH2+]C1 ZINC000261527469 135152433 /nfs/dbraw/zinc/15/24/33/135152433.db2.gz BNDZIQPLVJDQIS-BDAKNGLRSA-N 1 0 216.350 0.711 10 0 BCAERO COC1(C[NH2+]C[C@H]2CN(C)CCO2)CCCC1 ZINC000336659901 388087370 /nfs/dbraw/zinc/08/73/70/388087370.db2.gz QLNCGNCXUYZCNH-LBPRGKRZSA-N 1 0 242.363 0.866 10 0 BCAERO CCOc1cc(N2CCC[C@@H]2C[NH3+])ncn1 ZINC000085482730 388089505 /nfs/dbraw/zinc/08/95/05/388089505.db2.gz PYVYYOHIMCYDTR-SECBINFHSA-N 1 0 222.292 0.803 10 0 BCAERO CC[C@@H]([NH3+])C(=O)N1CCOCC1(C)C ZINC000042463012 388094345 /nfs/dbraw/zinc/09/43/45/388094345.db2.gz UAFRCXWKKXGGAV-MRVPVSSYSA-N 1 0 200.282 0.361 10 0 BCAERO C[C@@H]([NH3+])CS(=O)(=O)c1cccs1 ZINC000071509365 388096103 /nfs/dbraw/zinc/09/61/03/388096103.db2.gz YVXMPMDMIVRHOC-ZCFIWIBFSA-N 1 0 205.304 0.869 10 0 BCAERO Cc1cc(N2C[C@@H](C)[NH2+]C[C@@H]2C)n2ncnc2n1 ZINC000086471245 388102245 /nfs/dbraw/zinc/10/22/45/388102245.db2.gz FQWZRHDNIIQXPV-ZJUUUORDSA-N 1 0 246.318 0.619 10 0 BCAERO CC(C)(C)[C@@H](O)C[NH2+][C@@H]1CCCNC(=O)C1 ZINC000324317119 388116315 /nfs/dbraw/zinc/11/63/15/388116315.db2.gz GNWWZFKTOSNUGW-ZJUUUORDSA-N 1 0 228.336 0.652 10 0 BCAERO CS(=O)(=O)c1ccc2c(c1)C[NH2+]CC2 ZINC000013518440 388156713 /nfs/dbraw/zinc/15/67/13/388156713.db2.gz NGBCJESOVZUCBJ-UHFFFAOYSA-N 1 0 211.286 0.736 10 0 BCAERO CC1(C)C[NH2+][C@@H]1C(=O)NC[C@@H]1CCCC[C@@H]1O ZINC000646150786 388157185 /nfs/dbraw/zinc/15/71/85/388157185.db2.gz VDMSWRCBFCISGR-GARJFASQSA-N 1 0 240.347 0.652 10 0 BCAERO CCS(=O)(=O)C[C@H](C)[NH2+][C@H]1C[C@@H]1C ZINC000162246439 388134865 /nfs/dbraw/zinc/13/48/65/388134865.db2.gz DPYKDBMZFOAUAZ-CIUDSAMLSA-N 1 0 205.323 0.808 10 0 BCAERO Cc1cccnc1Cn1cc(C[NH3+])nn1 ZINC000167074286 388255924 /nfs/dbraw/zinc/25/59/24/388255924.db2.gz UTRIMTTZAFVXJL-UHFFFAOYSA-N 1 0 203.249 0.489 10 0 BCAERO COc1cccnc1N1CCC(O)(C[NH3+])CC1 ZINC000397090589 388293250 /nfs/dbraw/zinc/29/32/50/388293250.db2.gz JUZXQUZCADEBGS-UHFFFAOYSA-N 1 0 237.303 0.380 10 0 BCAERO C[C@@H]([NH3+])CCNC(=O)C1CCSCC1 ZINC000261529909 135156606 /nfs/dbraw/zinc/15/66/06/135156606.db2.gz BTJHDTGHRGHVQA-MRVPVSSYSA-N 1 0 216.350 0.983 10 0 BCAERO CC[C@@H](OC)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000261530052 135157441 /nfs/dbraw/zinc/15/74/41/135157441.db2.gz BTVXELJYNXLXRD-RKDXNWHRSA-N 1 0 200.282 0.361 10 0 BCAERO CCC[C@@H]1C[C@@H]1NC(=O)[C@@H]([NH3+])COC ZINC000233303573 388345418 /nfs/dbraw/zinc/34/54/18/388345418.db2.gz MSXBNQGFQQEGHM-VGMNWLOBSA-N 1 0 200.282 0.265 10 0 BCAERO C[C@H]1CN(CCc2ccnn2C)C[C@H]1[NH3+] ZINC000300049456 388346439 /nfs/dbraw/zinc/34/64/39/388346439.db2.gz RXBADYHXDQKDIE-GXSJLCMTSA-N 1 0 208.309 0.242 10 0 BCAERO CO[C@H]1CCN(C(=O)C[C@H]2CCC[NH2+]C2)C1 ZINC000234780362 388359774 /nfs/dbraw/zinc/35/97/74/388359774.db2.gz MJPSIDUVGMUIMH-MNOVXSKESA-N 1 0 226.320 0.623 10 0 BCAERO Cc1nc(C)c(CNC(=O)[C@H]2C[C@H](F)C[NH2+]2)o1 ZINC000646469729 388363165 /nfs/dbraw/zinc/36/31/65/388363165.db2.gz OPYPGKROBFAMAX-DTWKUNHWSA-N 1 0 241.266 0.608 10 0 BCAERO Cc1nc(S[C@H](C)CO)cc(NN)[nH+]1 ZINC000162958333 388366528 /nfs/dbraw/zinc/36/65/28/388366528.db2.gz ZYNNCCMKYQXHEA-RXMQYKEDSA-N 1 0 214.294 0.544 10 0 BCAERO CC1(C)CN(S(=O)(=O)C(F)F)CCN1 ZINC000133185705 388379901 /nfs/dbraw/zinc/37/99/01/388379901.db2.gz RJOOCSFKHBJDGO-UHFFFAOYSA-N 1 0 228.264 0.223 10 0 BCAERO Cc1nccc(C(=O)N[C@H]2CCC[NH2+][C@@H]2C)n1 ZINC000193579212 388381125 /nfs/dbraw/zinc/38/11/25/388381125.db2.gz WQGSANQINBMFPE-SCZZXKLOSA-N 1 0 234.303 0.655 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N[C@@H](CC)C(=O)OC ZINC000236907355 388386024 /nfs/dbraw/zinc/38/60/24/388386024.db2.gz LEFUGFPJLGNRHA-YUMQZZPRSA-N 1 0 216.281 0.182 10 0 BCAERO CCN1CCC([NH2+][C@H]2CCC(=O)N[C@H]2C)CC1 ZINC000334669909 388446534 /nfs/dbraw/zinc/44/65/34/388446534.db2.gz UMFPMCZFBAKEGD-JQWIXIFHSA-N 1 0 239.363 0.727 10 0 BCAERO O=C1NC[C@@H](C[N@H+]2CCC[C@H](CO)CC2)O1 ZINC000393952211 388447482 /nfs/dbraw/zinc/44/74/82/388447482.db2.gz ZKSADRGJSHTBNX-UWVGGRQHSA-N 1 0 228.292 0.189 10 0 BCAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]CC1(O)CCCC1 ZINC000335144436 388448913 /nfs/dbraw/zinc/44/89/13/388448913.db2.gz HBIDEAUZMPNLPC-VHSXEESVSA-N 1 0 226.320 0.548 10 0 BCAERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)N1CCSCC1 ZINC000335593307 388451475 /nfs/dbraw/zinc/45/14/75/388451475.db2.gz BOBJKLOHUATXOS-VHSXEESVSA-N 1 0 228.361 0.950 10 0 BCAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)Nc1cn[nH]c1 ZINC000335594277 388451502 /nfs/dbraw/zinc/45/15/02/388451502.db2.gz XMJQQXUUXIVENB-CBAPKCEASA-N 1 0 208.265 0.736 10 0 BCAERO CN(Cc1cc[nH]n1)C(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000336519060 388457483 /nfs/dbraw/zinc/45/74/83/388457483.db2.gz FEEKHZAMTLUWIJ-VHSXEESVSA-N 1 0 236.319 0.886 10 0 BCAERO CC(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000176875092 388464756 /nfs/dbraw/zinc/46/47/56/388464756.db2.gz MQDQVFOXGQTTGZ-JTQLQIEISA-N 1 0 228.336 0.558 10 0 BCAERO COc1ccnc(N2C[C@@H](C)[C@](C)(C[NH3+])C2)n1 ZINC000310364828 388481496 /nfs/dbraw/zinc/48/14/96/388481496.db2.gz LPWSTSJBLGDROU-BXKDBHETSA-N 1 0 236.319 0.906 10 0 BCAERO C[C@@H]([NH3+])C[C@@H](C)NC(=O)[C@@H]1CCCO1 ZINC000165645374 388408266 /nfs/dbraw/zinc/40/82/66/388408266.db2.gz HYRGEJHPFGOPSG-HLTSFMKQSA-N 1 0 200.282 0.407 10 0 BCAERO CC(C)(O)C(C)(C)CN[C@@H]1CC[NH2+]C1 ZINC000393613237 388435026 /nfs/dbraw/zinc/43/50/26/388435026.db2.gz DELPRWNGIHOWHI-SECBINFHSA-N 1 0 200.326 0.735 10 0 BCAERO COC(=O)C1=C(O)CC[N@H+](CC2CC2)C1 ZINC000070460839 388437430 /nfs/dbraw/zinc/43/74/30/388437430.db2.gz WVDLIFIWINPMMD-VIFPVBQESA-N 1 0 211.261 0.460 10 0 BCAERO C[C@]1(C(=O)NCCc2ccccn2)CCC[NH2+]1 ZINC000079511159 388538710 /nfs/dbraw/zinc/53/87/10/388538710.db2.gz IOHIUAULBATKBI-CYBMUJFWSA-N 1 0 233.315 0.882 10 0 BCAERO O=C1NC[C@@H]2C[NH2+]C[C@H]2c2ccccc21 ZINC000066054934 388547196 /nfs/dbraw/zinc/54/71/96/388547196.db2.gz MAIATPLDGMGZHF-GZMMTYOYSA-N 1 0 202.257 0.733 10 0 BCAERO C[C@@H]([NH2+]CCn1cncn1)[C@@]1(C)CCCO1 ZINC000340195639 388489116 /nfs/dbraw/zinc/48/91/16/388489116.db2.gz UWMHCCHEDQVGGJ-GHMZBOCLSA-N 1 0 224.308 0.825 10 0 BCAERO CCCCNC(=O)[C@H](C)[NH2+][C@H](C)COC ZINC000034938790 388492877 /nfs/dbraw/zinc/49/28/77/388492877.db2.gz KSVCGYWXXXKHQY-ZJUUUORDSA-N 1 0 216.325 0.916 10 0 BCAERO COC[C@]1(C(=O)Nc2ccccn2)CCC[NH2+]1 ZINC000649276249 388496923 /nfs/dbraw/zinc/49/69/23/388496923.db2.gz CWZWLVAMYSLXLW-LBPRGKRZSA-N 1 0 235.287 0.789 10 0 BCAERO CO[C@H]1C[C@H](CO)[N@H+](Cc2cccnc2C)C1 ZINC000343947830 388503861 /nfs/dbraw/zinc/50/38/61/388503861.db2.gz FCXWYFOWLRSHCK-OLZOCXBDSA-N 1 0 236.315 0.972 10 0 BCAERO CCOCC[N@@H+]1C[C@@H](OC)C[C@@H]1CO ZINC000344670841 388507699 /nfs/dbraw/zinc/50/76/99/388507699.db2.gz DPHCDTMKYRYQLA-ZJUUUORDSA-N 1 0 203.282 0.105 10 0 BCAERO CCOCC[N@@H+]1C[C@H](OC)C[C@H]1CO ZINC000344670838 388507847 /nfs/dbraw/zinc/50/78/47/388507847.db2.gz DPHCDTMKYRYQLA-VHSXEESVSA-N 1 0 203.282 0.105 10 0 BCAERO CO[C@H]1C[C@H](CO)N(CC[NH+]2CCCCC2)C1 ZINC000344693567 388508393 /nfs/dbraw/zinc/50/83/93/388508393.db2.gz ALOBFTOGSFCVJA-OLZOCXBDSA-N 1 0 242.363 0.554 10 0 BCAERO CC[C@@H](CCO)CNC(=O)[C@@H](C)[NH2+]C ZINC000087369820 388518760 /nfs/dbraw/zinc/51/87/60/388518760.db2.gz ZNGBUFDTGKRKMB-BDAKNGLRSA-N 1 0 202.298 0.119 10 0 BCAERO C[C@H](NC(=O)[C@@H]1C[NH2+]CCOC1)c1cccnc1 ZINC000649307384 388592475 /nfs/dbraw/zinc/59/24/75/388592475.db2.gz LIBPVVLMLQPCSE-CMPLNLGQSA-N 1 0 249.314 0.495 10 0 BCAERO Cc1cnn(CC[NH2+]Cc2cncnc2)c1 ZINC000105908410 388594247 /nfs/dbraw/zinc/59/42/47/388594247.db2.gz DEIFMNNFGNSHQH-UHFFFAOYSA-N 1 0 217.276 0.771 10 0 BCAERO CN(Cc1cnccn1)C(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000649311495 388597860 /nfs/dbraw/zinc/59/78/60/388597860.db2.gz UMLGQAOGSWRQCP-CMPLNLGQSA-N 1 0 248.330 0.810 10 0 BCAERO Cc1c(C[NH2+]CC(=O)NCC(F)F)cnn1C ZINC000360781430 388560108 /nfs/dbraw/zinc/56/01/08/388560108.db2.gz KXHVEGMGQGXWIC-UHFFFAOYSA-N 1 0 246.261 0.199 10 0 BCAERO [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CCn1cncn1 ZINC000362975979 388563372 /nfs/dbraw/zinc/56/33/72/388563372.db2.gz IGJKCYPZKLHJLN-GHMZBOCLSA-N 1 0 223.324 0.385 10 0 BCAERO C[C@H]([NH3+])[C@H]1CN(C(=O)C2CC(C)C2)CCO1 ZINC000646841660 388616291 /nfs/dbraw/zinc/61/62/91/388616291.db2.gz ZJOJSRKUEGIJNU-QONHTCSSSA-N 1 0 226.320 0.607 10 0 BCAERO CCC[C@H](O)C[N@H+](C)C[C@H]1CN(C)CCO1 ZINC000649297427 388575951 /nfs/dbraw/zinc/57/59/51/388575951.db2.gz PRKRAEPJNFSGFT-NWDGAFQWSA-N 1 0 230.352 0.410 10 0 BCAERO C[C@H]1C[N@H+](CCOCCO)CCS1 ZINC000125396414 388672107 /nfs/dbraw/zinc/67/21/07/388672107.db2.gz FPFIASYZTPYDKC-VIFPVBQESA-N 1 0 205.323 0.433 10 0 BCAERO NC(=O)c1cnccc1N1CC[N@@H+]2CCC[C@H]2C1 ZINC000248392786 388677867 /nfs/dbraw/zinc/67/78/67/388677867.db2.gz FYIWXBHSBCTQCJ-JTQLQIEISA-N 1 0 246.314 0.465 10 0 BCAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)N(C)C)C1 ZINC000246184356 388622725 /nfs/dbraw/zinc/62/27/25/388622725.db2.gz HHOKRKAOIYMQJV-NXEZZACHSA-N 1 0 213.325 0.986 10 0 BCAERO COC[C@H](NC(=O)[C@H]1CC[NH2+]C1)C(C)C ZINC000083399147 388639482 /nfs/dbraw/zinc/63/94/82/388639482.db2.gz MIDLDUNNEBHINN-UWVGGRQHSA-N 1 0 214.309 0.383 10 0 BCAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NS(C)(=O)=O)C1 ZINC000246831309 388652377 /nfs/dbraw/zinc/65/23/77/388652377.db2.gz CXEQOMVECWEIGE-DTWKUNHWSA-N 1 0 220.338 0.264 10 0 BCAERO O=C(c1ccn([C@@H]2CCC[NH2+]C2)n1)N1CCCN1 ZINC000328623744 388738199 /nfs/dbraw/zinc/73/81/99/388738199.db2.gz JKPMNVRWHUYIPQ-SNVBAGLBSA-N 1 0 249.318 0.158 10 0 BCAERO [NH3+][C@@H]1COC[C@@H]1[C@H](O)c1cncs1 ZINC000575452060 388746530 /nfs/dbraw/zinc/74/65/30/388746530.db2.gz BKCHHGFVCSWEOH-BBVRLYRLSA-N 1 0 200.263 0.150 10 0 BCAERO CCC[C@@H](C(=O)NCCCCO)[NH+](C)C ZINC000194958096 388747005 /nfs/dbraw/zinc/74/70/05/388747005.db2.gz HOCUMTDUZIKOQI-JTQLQIEISA-N 1 0 216.325 0.605 10 0 BCAERO CC[C@@H]1CN(C[C@H](C)O)CC[N@@H+]1C[C@H](C)O ZINC000248641693 388688335 /nfs/dbraw/zinc/68/83/35/388688335.db2.gz CQCLNKBFEREZFI-SDDRHHMPSA-N 1 0 230.352 0.144 10 0 BCAERO C[C@@H]1CC[N@H+](C[C@@H](O)COC(C)(C)C)[C@@H]1CO ZINC000248873856 388697345 /nfs/dbraw/zinc/69/73/45/388697345.db2.gz CBDDOBZNZSQOFT-IJLUTSLNSA-N 1 0 245.363 0.865 10 0 BCAERO C[NH2+]C[C@@H]1C[C@@H](F)CN1Cc1ccnn1C ZINC000395232174 388701930 /nfs/dbraw/zinc/70/19/30/388701930.db2.gz PFMJNYUYQKSHPM-KOLCDFICSA-N 1 0 226.299 0.552 10 0 BCAERO C[NH+](C)C[C@H]1CN(CC[C@H]2CCCO2)CCO1 ZINC000249277446 388714377 /nfs/dbraw/zinc/71/43/77/388714377.db2.gz KFJWRHKJZFMKSM-OLZOCXBDSA-N 1 0 242.363 0.818 10 0 BCAERO CCC[C@H](O)CNC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000226347822 388715922 /nfs/dbraw/zinc/71/59/22/388715922.db2.gz DBIKUOVHBABQOF-BBBLOLIVSA-N 1 0 214.309 0.391 10 0 BCAERO CC[C@@](C)(O)C[N@@H+]1CCC[C@@H](CC(N)=O)C1 ZINC000249374136 388717754 /nfs/dbraw/zinc/71/77/54/388717754.db2.gz NTQRDELDASHLSI-CMPLNLGQSA-N 1 0 228.336 0.735 10 0 BCAERO COCC[N@H+](C)CCNC(=O)OC(C)C ZINC000127316054 388719957 /nfs/dbraw/zinc/71/99/57/388719957.db2.gz SWPGWYCKRHDSSY-UHFFFAOYSA-N 1 0 218.297 0.699 10 0 BCAERO CSC[C@H](O)C[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000249444349 388721802 /nfs/dbraw/zinc/72/18/02/388721802.db2.gz KTAZYWJIZDEMBX-BBBLOLIVSA-N 1 0 219.350 0.867 10 0 BCAERO C[NH2+][C@@]1(C(N)=O)CCN(Cc2ccccc2)C1 ZINC000037869816 388729766 /nfs/dbraw/zinc/72/97/66/388729766.db2.gz ALHDUXIYRPDPAS-ZDUSSCGKSA-N 1 0 233.315 0.336 10 0 BCAERO [NH3+]CC(=O)Nc1ccc(O)cc1Cl ZINC000575459203 388802798 /nfs/dbraw/zinc/80/27/98/388802798.db2.gz DHIATCHXSIDXOC-UHFFFAOYSA-N 1 0 200.625 0.943 10 0 BCAERO CCCCOC[C@@H](O)C[NH2+][C@H](C)CO ZINC000227888859 388761244 /nfs/dbraw/zinc/76/12/44/388761244.db2.gz CWLNOQLGCHMJKS-ZJUUUORDSA-N 1 0 205.298 0.134 10 0 BCAERO COC[C@@H]([NH3+])C(=O)NCC1CCSCC1 ZINC000229272335 388784055 /nfs/dbraw/zinc/78/40/55/388784055.db2.gz PKIHROMWWIGLEO-SECBINFHSA-N 1 0 232.349 0.220 10 0 BCAERO CC[C@](C)(O)C[NH2+][C@H](C)c1nncn1C ZINC000229318187 388786110 /nfs/dbraw/zinc/78/61/10/388786110.db2.gz RNOFWLWKNBCGGF-SCZZXKLOSA-N 1 0 212.297 0.627 10 0 BCAERO C[NH2+][C@](C)(C(N)=O)c1ccc(OC)cc1 ZINC000037459040 388843881 /nfs/dbraw/zinc/84/38/81/388843881.db2.gz KQGVSNYJVAWLDR-NSHDSACASA-N 1 0 208.261 0.615 10 0 BCAERO C[S@@](=O)N1C[C@H](C[NH3+])C2(CCC2)C1 ZINC000575465855 388836738 /nfs/dbraw/zinc/83/67/38/388836738.db2.gz ZUAFWKCYKMWHIU-ISVAXAHUSA-N 1 0 202.323 0.341 10 0 BCAERO Cc1cnc(C)c(N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)n1 ZINC000299748942 388846675 /nfs/dbraw/zinc/84/66/75/388846675.db2.gz IOJYISZEKKAUDI-NWDGAFQWSA-N 1 0 248.330 0.613 10 0 BCAERO [NH3+][C@@H]1COC[C@@H]1[C@@H](O)c1cscn1 ZINC000575471745 388848167 /nfs/dbraw/zinc/84/81/67/388848167.db2.gz BIQPHMXOBYQPQC-SHYZEUOFSA-N 1 0 200.263 0.150 10 0 BCAERO CC(C)(C)OC(=O)N[C@@H]1[C@H]([NH3+])[C@@H]2CCO[C@H]12 ZINC000575488432 388879980 /nfs/dbraw/zinc/87/99/80/388879980.db2.gz ZVGRCWXQTQQIAV-KDXUFGMBSA-N 1 0 228.292 0.626 10 0 BCAERO CC1CC(C(=O)NC[C@]2(O)CC[N@H+](C)C2)C1 ZINC000564582350 388880796 /nfs/dbraw/zinc/88/07/96/388880796.db2.gz MHZYSFUVOPGUPB-RTYFJBAXSA-N 1 0 226.320 0.215 10 0 BCAERO CC(C)=C[C@H]([NH3+])[C@@H]1CCCS1(=O)=O ZINC000575492746 388944080 /nfs/dbraw/zinc/94/40/80/388944080.db2.gz KVNMYWZBBPRSCG-IUCAKERBSA-N 1 0 203.307 0.857 10 0 BCAERO C[C@@H]1CN(c2ncncc2Cl)CC[NH2+]1 ZINC000163568025 132235729 /nfs/dbraw/zinc/23/57/29/132235729.db2.gz ZRTHMKNIOURLAW-SSDOTTSWSA-N 1 0 212.684 0.928 10 0 BCAERO C(C1CCOCC1)[N@@H+]1CC[C@H]2OCCN[C@H]2C1 ZINC000404203230 388954689 /nfs/dbraw/zinc/95/46/89/388954689.db2.gz QVVFSYDKRWZRFU-QWHCGFSZSA-N 1 0 240.347 0.476 10 0 BCAERO O[C@H]1CNC(S[C@H]2CCSC2)=[NH+]C1 ZINC000575498805 388989621 /nfs/dbraw/zinc/98/96/21/388989621.db2.gz DJVHPQGGGMTBHQ-ZETCQYMHSA-N 1 0 218.347 0.545 10 0 BCAERO [NH3+][C@]1([C@H](O)c2ccsn2)CCOC1 ZINC000575504055 388990658 /nfs/dbraw/zinc/99/06/58/388990658.db2.gz CFHLEAQLPHSSAX-HTQZYQBOSA-N 1 0 200.263 0.294 10 0 BCAERO [NH3+][C@]1(CN2C(=O)c3ccccc3C2=O)CCOC1 ZINC000575510638 389008443 /nfs/dbraw/zinc/00/84/43/389008443.db2.gz ICNQRALTHMMYEZ-ZDUSSCGKSA-N 1 0 246.266 0.400 10 0 BCAERO Cc1cc(N)cnc1N1CC[NH+](C)CC1 ZINC000036241584 132341354 /nfs/dbraw/zinc/34/13/54/132341354.db2.gz KIOTWWSITUMCSQ-UHFFFAOYSA-N 1 0 206.293 0.724 10 0 BCAERO CCCc1nc(N2CCOCC2)cc(N)[nH+]1 ZINC000034085184 132336319 /nfs/dbraw/zinc/33/63/19/132336319.db2.gz PXMULGYQTFMIIL-UHFFFAOYSA-N 1 0 222.292 0.848 10 0 BCAERO Cc1cnc(N2CCN(CCC[NH3+])CC2)nc1 ZINC000063048354 132388832 /nfs/dbraw/zinc/38/88/32/132388832.db2.gz XPQUQIGPZITJFV-UHFFFAOYSA-N 1 0 235.335 0.256 10 0 BCAERO C[C@@H]1CO[C@@H](C)CN1c1nccnc1C[NH3+] ZINC000054377223 132364443 /nfs/dbraw/zinc/36/44/43/132364443.db2.gz GIQLPSCUZYPLGP-BDAKNGLRSA-N 1 0 222.292 0.549 10 0 BCAERO CCN(C(C)C)C1(C[NH3+])CCS(=O)(=O)CC1 ZINC000042332246 169664463 /nfs/dbraw/zinc/66/44/63/169664463.db2.gz OXYMVTAYGNEAMB-UHFFFAOYSA-N 1 0 248.392 0.623 10 0 BCAERO CCC(=O)Nc1nnc(CC[NH3+])s1 ZINC000058231710 168247777 /nfs/dbraw/zinc/24/77/77/168247777.db2.gz YYYBCZPHVIRFPO-UHFFFAOYSA-N 1 0 200.267 0.388 10 0 BCAERO [NH3+]C[C@@H]1CCCCN1c1ncnc2nc[nH]c21 ZINC000044559465 132225253 /nfs/dbraw/zinc/22/52/53/132225253.db2.gz SMZPMRTYAHQGEB-QMMMGPOBSA-N 1 0 232.291 0.671 10 0 BCAERO CCc1nnc(N2CC[NH2+][C@@H](C)C2)nc1CC ZINC000097836857 132242583 /nfs/dbraw/zinc/24/25/83/132242583.db2.gz SBPQFOKJCDOPRK-VIFPVBQESA-N 1 0 235.335 0.795 10 0 BCAERO CCc1nc(COC)cc(N2CC[NH2+]CC2)n1 ZINC000045950794 132299132 /nfs/dbraw/zinc/29/91/32/132299132.db2.gz WMGQANGATYPXAF-UHFFFAOYSA-N 1 0 236.319 0.595 10 0 BCAERO Cc1cc(N2CCC[C@](O)(C(N)=O)C2)cc[nH+]1 ZINC000284749299 132307095 /nfs/dbraw/zinc/30/70/95/132307095.db2.gz XJEUCHBWDMNMMA-GFCCVEGCSA-N 1 0 235.287 0.207 10 0 BCAERO c1cc(N2CCOCC2)[nH+]c(N2CCOCC2)c1 ZINC000015020175 132322736 /nfs/dbraw/zinc/32/27/36/132322736.db2.gz IGTLWBLATPAXQS-UHFFFAOYSA-N 1 0 249.314 0.755 10 0 BCAERO C[C@@H]([NH3+])CN1c2ccccc2OCC1=O ZINC000019275754 132324533 /nfs/dbraw/zinc/32/45/33/132324533.db2.gz ATBSDHQNFKERGF-MRVPVSSYSA-N 1 0 206.245 0.759 10 0 BCAERO CC(C)(C[NH3+])N1CCN(c2ccccn2)CC1 ZINC000019482549 132325424 /nfs/dbraw/zinc/32/54/24/132325424.db2.gz QADRCKSVXKMWAB-UHFFFAOYSA-N 1 0 234.347 0.941 10 0 BCAERO CN(C)C(=O)Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC000020221367 132330405 /nfs/dbraw/zinc/33/04/05/132330405.db2.gz PLILVOFOZIHMOM-UHFFFAOYSA-N 1 0 247.342 0.727 10 0 BCAERO CN(C)C(=O)Cc1cccc(N2CC[NH2+]CC2)c1 ZINC000020221368 132330414 /nfs/dbraw/zinc/33/04/14/132330414.db2.gz JMTQNEUYBMGVEX-UHFFFAOYSA-N 1 0 247.342 0.727 10 0 BCAERO CCNC(=O)c1ccc(N2CC[NH2+]CC2)cc1 ZINC000020221390 132330425 /nfs/dbraw/zinc/33/04/25/132330425.db2.gz ROBGHJAAQLONAV-UHFFFAOYSA-N 1 0 233.315 0.846 10 0 BCAERO c1cnc(N2CCN(C3CC[NH2+]CC3)CC2)nc1 ZINC000031992580 132334932 /nfs/dbraw/zinc/33/49/32/132334932.db2.gz PVQOEWWFWODUEQ-UHFFFAOYSA-N 1 0 247.346 0.351 10 0 BCAERO NC(=O)CC[NH+]1CCN(c2cccc(N)c2)CC1 ZINC000035081318 132337461 /nfs/dbraw/zinc/33/74/61/132337461.db2.gz LKDJEVQFVNDAAA-UHFFFAOYSA-N 1 0 248.330 0.266 10 0 BCAERO [NH3+]Cc1ccc(N2CCC[C@@H](CO)C2)nc1 ZINC000036205646 132340799 /nfs/dbraw/zinc/34/07/99/132340799.db2.gz ZNRVVXYUWQUCHU-LLVKDONJSA-N 1 0 221.304 0.749 10 0 BCAERO Nc1c[nH+]ccc1N1CCC[C@@H](CO)C1 ZINC000036227039 132341098 /nfs/dbraw/zinc/34/10/98/132341098.db2.gz KEODADOZZFHTIC-SECBINFHSA-N 1 0 207.277 0.873 10 0 BCAERO CC[C@H]1CN(c2ccc(C(N)=[NH2+])cn2)CCO1 ZINC000036769929 132342466 /nfs/dbraw/zinc/34/24/66/132342466.db2.gz XXBPPVXIYHEKQP-JTQLQIEISA-N 1 0 234.303 0.981 10 0 BCAERO Cn1ncc2c1ncnc2N1CCC([NH3+])CC1 ZINC000036754898 132342501 /nfs/dbraw/zinc/34/25/01/132342501.db2.gz JINSIHAZDJYPOV-UHFFFAOYSA-N 1 0 232.291 0.291 10 0 BCAERO Cc1cc(N2CCN(CCC[NH3+])CC2)nc(C)n1 ZINC000037756772 132345422 /nfs/dbraw/zinc/34/54/22/132345422.db2.gz ZPQXYQNXMBRIML-UHFFFAOYSA-N 1 0 249.362 0.564 10 0 BCAERO C[NH+]1CCN(c2ccc3c[nH]nc3n2)CC1 ZINC000039075980 132346386 /nfs/dbraw/zinc/34/63/86/132346386.db2.gz RIHRMBIIAGKZKR-UHFFFAOYSA-N 1 0 217.276 0.710 10 0 BCAERO Cc1cc(C)nc(N2CC[NH2+][C@@H](C)C2)n1 ZINC000039320789 132346670 /nfs/dbraw/zinc/34/66/70/132346670.db2.gz JTZRWWYQPORRAP-JTQLQIEISA-N 1 0 206.293 0.892 10 0 BCAERO Cc1cc(C)nc(N2CC[NH2+][C@H](C)C2)n1 ZINC000039320787 132346807 /nfs/dbraw/zinc/34/68/07/132346807.db2.gz JTZRWWYQPORRAP-SNVBAGLBSA-N 1 0 206.293 0.892 10 0 BCAERO Cc1noc(-c2ccc(N3CC[NH2+]CC3)nc2)n1 ZINC000040351978 132347305 /nfs/dbraw/zinc/34/73/05/132347305.db2.gz DMRDNMRARUTYKR-UHFFFAOYSA-N 1 0 245.286 0.850 10 0 BCAERO CCCc1cc(N2CC[NH2+]CC2)ncn1 ZINC000040765386 132348503 /nfs/dbraw/zinc/34/85/03/132348503.db2.gz PPHWHERHCIWWIC-UHFFFAOYSA-N 1 0 206.293 0.839 10 0 BCAERO Cc1cc(C)nc(N2CCO[C@@H](C[NH3+])C2)n1 ZINC000041059079 132349606 /nfs/dbraw/zinc/34/96/06/132349606.db2.gz HNEZITKHOARYEX-JTQLQIEISA-N 1 0 222.292 0.257 10 0 BCAERO Cc1[nH]nc2c1ncnc2N1CC[NH+](C)CC1 ZINC000041528117 132350243 /nfs/dbraw/zinc/35/02/43/132350243.db2.gz YBVJOSURCHLXIX-UHFFFAOYSA-N 1 0 232.291 0.413 10 0 BCAERO C[C@H](CC(N)=[NH2+])N1CCN(c2ccccn2)CC1 ZINC000048249784 132355365 /nfs/dbraw/zinc/35/53/65/132355365.db2.gz ZXZNODPWWKFYCC-LLVKDONJSA-N 1 0 247.346 0.918 10 0 BCAERO CNC(=[NH2+])N1CCN(c2ccccc2)CC1 ZINC000048584596 132355470 /nfs/dbraw/zinc/35/54/70/132355470.db2.gz OOHBQFVIDJNXNG-UHFFFAOYSA-N 1 0 218.304 0.963 10 0 BCAERO C[C@@H]1CN(c2ccnc(C[NH3+])c2)CCO1 ZINC000051396231 132360064 /nfs/dbraw/zinc/36/00/64/132360064.db2.gz KDTYURSBXBGNJK-SECBINFHSA-N 1 0 207.277 0.765 10 0 BCAERO C[C@H]1COCCN1c1ccc(C[NH3+])nn1 ZINC000051396858 132360269 /nfs/dbraw/zinc/36/02/69/132360269.db2.gz JJDKELYLONFEDM-QMMMGPOBSA-N 1 0 208.265 0.160 10 0 BCAERO CCO[C@@H]1CCCN(c2ccc(C[NH3+])nn2)C1 ZINC000051398224 132360425 /nfs/dbraw/zinc/36/04/25/132360425.db2.gz TWBUSWORAMGEKN-LLVKDONJSA-N 1 0 236.319 0.941 10 0 BCAERO C[C@@H]1CN(c2ccc(C[NH2+]C3CC3)nn2)CCO1 ZINC000051400222 132360901 /nfs/dbraw/zinc/36/09/01/132360901.db2.gz RQTVAYMFACOANQ-SNVBAGLBSA-N 1 0 248.330 0.954 10 0 BCAERO Cc1ccc(C[NH3+])c(N2CCNC(=O)C2)c1 ZINC000051578584 132361296 /nfs/dbraw/zinc/36/12/96/132361296.db2.gz UGOCTUJWDMBCMZ-UHFFFAOYSA-N 1 0 219.288 0.390 10 0 BCAERO O=C1CN([C@@H]2CC[NH2+]C2)c2ccccc2N1 ZINC000051782986 132361755 /nfs/dbraw/zinc/36/17/55/132361755.db2.gz BOOUYUCGXHPCCS-SECBINFHSA-N 1 0 217.272 0.807 10 0 BCAERO C[NH2+]C[C@@H]1CCCN(c2cccnn2)C1 ZINC000052831546 132362573 /nfs/dbraw/zinc/36/25/73/132362573.db2.gz JWTFCLDOVBTOGM-JTQLQIEISA-N 1 0 206.293 0.912 10 0 BCAERO Cc1ccc2c(c1)N1CC[NH2+]C[C@H]1C(=O)N2 ZINC000053151309 132362832 /nfs/dbraw/zinc/36/28/32/132362832.db2.gz XCMDBWQOUOFRED-NSHDSACASA-N 1 0 217.272 0.725 10 0 BCAERO Cc1ccc2c(c1)N1CC[NH2+]C[C@@H]1C(=O)N2 ZINC000053151308 132362922 /nfs/dbraw/zinc/36/29/22/132362922.db2.gz XCMDBWQOUOFRED-LLVKDONJSA-N 1 0 217.272 0.725 10 0 BCAERO COC1CCN(c2nccnc2C[NH3+])CC1 ZINC000054377159 132364319 /nfs/dbraw/zinc/36/43/19/132364319.db2.gz ZTQRCBSCJQDYKR-UHFFFAOYSA-N 1 0 222.292 0.551 10 0 BCAERO CC1(C)CN(c2nccnc2C(N)=[NH2+])CCO1 ZINC000054379686 132364560 /nfs/dbraw/zinc/36/45/60/132364560.db2.gz RNEDHNUBHVKFLY-UHFFFAOYSA-N 1 0 235.291 0.376 10 0 BCAERO NC(=[NH2+])c1nccnc1N1CCCCC1 ZINC000054379534 132364603 /nfs/dbraw/zinc/36/46/03/132364603.db2.gz FPPKSYFIKJUWJX-UHFFFAOYSA-N 1 0 205.265 0.751 10 0 BCAERO NC(=[NH2+])c1nccnc1N1CCCC[C@@H]1CCO ZINC000054379536 132364648 /nfs/dbraw/zinc/36/46/48/132364648.db2.gz RIMYEIYQHLGLBG-SECBINFHSA-N 1 0 249.318 0.502 10 0 BCAERO Cc1cc(C)nc(N2CCN([C@H](C)C[NH3+])CC2)n1 ZINC000058020115 132367726 /nfs/dbraw/zinc/36/77/26/132367726.db2.gz LMWPAXQNUBSALS-GFCCVEGCSA-N 1 0 249.362 0.563 10 0 BCAERO CCn1ccnc(N2CC[NH2+][C@@H](C)C2)c1=O ZINC000061761746 132387136 /nfs/dbraw/zinc/38/71/36/132387136.db2.gz MLHXTROYZXFDCZ-VIFPVBQESA-N 1 0 222.292 0.061 10 0 BCAERO CCn1ccnc(N2CCCC[C@H]2C[NH3+])c1=O ZINC000061768061 132387270 /nfs/dbraw/zinc/38/72/70/132387270.db2.gz OTCYITKXYPPIER-JTQLQIEISA-N 1 0 236.319 0.581 10 0 BCAERO Nc1c(Cl)ncnc1N1CC[NH2+]CC1 ZINC000062364322 132387583 /nfs/dbraw/zinc/38/75/83/132387583.db2.gz KHPFVZWQUOLBNG-UHFFFAOYSA-N 1 0 213.672 0.122 10 0 BCAERO C[C@H]([NH3+])[C@@H]1CCCCN1c1cncc2nnnn21 ZINC000063196556 132389153 /nfs/dbraw/zinc/38/91/53/132389153.db2.gz GOKCVUXXLGGCBQ-IUCAKERBSA-N 1 0 247.306 0.225 10 0 BCAERO C[C@H](CN1c2ccccc2CC[C@@H]1C[NH3+])C(N)=O ZINC000063075371 132389678 /nfs/dbraw/zinc/38/96/78/132389678.db2.gz ZFHTXOVLRQSCQP-ZYHUDNBSSA-N 1 0 247.342 0.888 10 0 BCAERO C[C@@H]1CCN(c2ccnc(C(N)=O)c2)[C@@H](C[NH3+])C1 ZINC000235370640 132395228 /nfs/dbraw/zinc/39/52/28/132395228.db2.gz MJJYLHUHYWAVGI-MWLCHTKSSA-N 1 0 248.330 0.744 10 0 BCAERO [NH3+]CC[C@@H]1CCCCN1c1cncc2nnnn21 ZINC000104322523 132436244 /nfs/dbraw/zinc/43/62/44/132436244.db2.gz DEVDUKBDMOIILZ-VIFPVBQESA-N 1 0 247.306 0.227 10 0 BCAERO C[C@@H]([NH3+])[C@H]1CCCN(c2cncc3nnnn32)C1 ZINC000104414970 132436645 /nfs/dbraw/zinc/43/66/45/132436645.db2.gz OOYCQTOZFZXUFL-BDAKNGLRSA-N 1 0 247.306 0.083 10 0 BCAERO COC[C@@H](C)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000158021288 133496252 /nfs/dbraw/zinc/49/62/52/133496252.db2.gz WBZXUWIIWYCKEJ-RKDXNWHRSA-N 1 0 200.282 0.219 10 0 BCAERO COC[C@@H](C)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000158021011 133496331 /nfs/dbraw/zinc/49/63/31/133496331.db2.gz WBZXUWIIWYCKEJ-BDAKNGLRSA-N 1 0 200.282 0.219 10 0 BCAERO CCNC(=O)CC[N@@H+]1CC[C@@H](CCO)C1 ZINC000161583953 133514573 /nfs/dbraw/zinc/51/45/73/133514573.db2.gz WEZJMJINMBUQNE-JTQLQIEISA-N 1 0 214.309 0.217 10 0 BCAERO C[C@@H](C(=O)N[C@H]1CCCOC1)[C@H](C)[NH3+] ZINC000252859461 133652543 /nfs/dbraw/zinc/65/25/43/133652543.db2.gz MMQZNELGIROFEA-VGMNWLOBSA-N 1 0 200.282 0.265 10 0 BCAERO CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](C)C(C)C ZINC000020309720 133673861 /nfs/dbraw/zinc/67/38/61/133673861.db2.gz HMRLPMZARMUQTP-IUCAKERBSA-N 1 0 229.324 0.855 10 0 BCAERO Cc1cc(C[N@@H+]2C[C@@H](O)C[C@@H]2CO)cs1 ZINC000336208569 134133514 /nfs/dbraw/zinc/13/35/14/134133514.db2.gz UYEVCNQIAOGEGJ-MNOVXSKESA-N 1 0 227.329 0.984 10 0 BCAERO Cc1nn(C)cc1C[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000167857796 134154291 /nfs/dbraw/zinc/15/42/91/134154291.db2.gz NRAPXLHRKDEIRC-ZYHUDNBSSA-N 1 0 222.336 0.946 10 0 BCAERO O=C1CC[C@@H]2C[N@H+]([C@H]3CCCC[C@@H]3O)CCN12 ZINC000168459308 134197936 /nfs/dbraw/zinc/19/79/36/134197936.db2.gz ZQHCYKFWTFKKNB-WOPDTQHZSA-N 1 0 238.331 0.597 10 0 BCAERO COC(=O)C(C)(C)NC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000085010842 134221002 /nfs/dbraw/zinc/22/10/02/134221002.db2.gz RQGORKUTCIBEPI-SFYZADRCSA-N 1 0 228.292 0.182 10 0 BCAERO C[C@H](NC(=O)[C@@H]1CC[C@H]([NH3+])C1)[C@@H]1CCCO1 ZINC000085010295 134221045 /nfs/dbraw/zinc/22/10/45/134221045.db2.gz MBHDNUHUHYFXOV-VLEAKVRGSA-N 1 0 226.320 0.798 10 0 BCAERO [NH3+][C@@H]1CC[C@H](C(=O)NCC2CCOCC2)C1 ZINC000085013272 134221434 /nfs/dbraw/zinc/22/14/34/134221434.db2.gz KCGPUHZRWMVBNL-WDEREUQCSA-N 1 0 226.320 0.657 10 0 BCAERO CCc1nnc(CN2CC[N@@H+]3CCC[C@@H]3C2)n1C ZINC000171638384 134257842 /nfs/dbraw/zinc/25/78/42/134257842.db2.gz KGGKEWHQCXVPBS-LLVKDONJSA-N 1 0 249.362 0.658 10 0 BCAERO CN(c1ccc(S(C)(=O)=O)cc1)C1C[NH2+]C1 ZINC000085258428 134272483 /nfs/dbraw/zinc/27/24/83/134272483.db2.gz KTTUATUOMMVMEW-UHFFFAOYSA-N 1 0 240.328 0.498 10 0 BCAERO CCNS(=O)(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000174005393 134280522 /nfs/dbraw/zinc/28/05/22/134280522.db2.gz MQDOTOIAZKECGG-UWVGGRQHSA-N 1 0 249.380 0.159 10 0 BCAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)OC ZINC000175037598 134284367 /nfs/dbraw/zinc/28/43/67/134284367.db2.gz GSEIMTKUJHUBOZ-WDEREUQCSA-N 1 0 226.320 0.718 10 0 BCAERO CC(C)CCC(=O)NCC(=O)NCC[C@@H](C)[NH3+] ZINC000178631027 134312121 /nfs/dbraw/zinc/31/21/21/134312121.db2.gz QEISJIUTHNCMQC-SNVBAGLBSA-N 1 0 243.351 0.392 10 0 BCAERO C[C@@H]([NH3+])CCNC(=O)[C@@H](C)NC(=O)C(C)(C)C ZINC000178684463 134312708 /nfs/dbraw/zinc/31/27/08/134312708.db2.gz YWLPDQOESVYCSA-RKDXNWHRSA-N 1 0 243.351 0.391 10 0 BCAERO OC[C@H]1C[C@H](O)C[N@@H+]1CC1CCCCC1 ZINC000179176682 134318005 /nfs/dbraw/zinc/31/80/05/134318005.db2.gz CSZKUVJCSVVHSC-NEPJUHHUSA-N 1 0 213.321 0.994 10 0 BCAERO CCO[C@H]1C[C@@H]1C(=O)NC1(C[NH3+])CCCC1 ZINC000179166735 134318234 /nfs/dbraw/zinc/31/82/34/134318234.db2.gz MIFANDNBDRWVJC-UWVGGRQHSA-N 1 0 226.320 0.799 10 0 BCAERO CO[C@@H](C)CN1CCO[C@H](C[NH+](C)C)C1 ZINC000182149408 134342424 /nfs/dbraw/zinc/34/24/24/134342424.db2.gz XAKYSVPEWTVBRA-WDEREUQCSA-N 1 0 216.325 0.284 10 0 BCAERO O=C1NCCC[C@H]1[NH2+]C[C@@H]1CCSC1 ZINC000224410556 134347012 /nfs/dbraw/zinc/34/70/12/134347012.db2.gz PZXCTKJSSOXFDT-DTWKUNHWSA-N 1 0 214.334 0.608 10 0 BCAERO CO[C@@H](C)CCC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000183397895 134351182 /nfs/dbraw/zinc/35/11/82/134351182.db2.gz VFBXVCQGXASAEQ-QWRGUYRKSA-N 1 0 228.336 0.964 10 0 BCAERO CC(C)OCCC[N@@H+]1C[C@@H](O)C[C@@H]1CO ZINC000185170816 134372462 /nfs/dbraw/zinc/37/24/62/134372462.db2.gz MTRYJSGIDKVJKV-MNOVXSKESA-N 1 0 217.309 0.229 10 0 BCAERO Cn1cc(CC[N@H+](C)CC2CC(O)C2)cn1 ZINC000227305726 134377555 /nfs/dbraw/zinc/37/75/55/134377555.db2.gz AJZYDBYKCJVCSA-UHFFFAOYSA-N 1 0 223.320 0.665 10 0 BCAERO CCOc1cc(N(C)[C@@H]2CC[NH2+]C2)ncn1 ZINC000085482587 134378716 /nfs/dbraw/zinc/37/87/16/134378716.db2.gz GMJOJIWQZLGZBG-SECBINFHSA-N 1 0 222.292 0.673 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@@H](O)CC(C)(C)C ZINC000227429522 134380081 /nfs/dbraw/zinc/38/00/81/134380081.db2.gz DLDYZGAAVUFUJG-OUAUKWLOSA-N 1 0 242.363 0.755 10 0 BCAERO CCC(CC)[C@H](O)CNC(=O)[C@@H]1C[NH2+]C[C@@H]1C ZINC000227427804 134380190 /nfs/dbraw/zinc/38/01/90/134380190.db2.gz LQVITWFVSVOFKV-MVWJERBFSA-N 1 0 242.363 0.755 10 0 BCAERO OCC[C@@H]1CC[N@H+](Cc2cn3cccnc3n2)C1 ZINC000227572465 134383321 /nfs/dbraw/zinc/38/33/21/134383321.db2.gz AHCYBZJQJOYENE-NSHDSACASA-N 1 0 246.314 0.934 10 0 BCAERO Cc1cnc([C@@H](C)NC(=O)C[C@H](C)[NH3+])o1 ZINC000231744117 134544045 /nfs/dbraw/zinc/54/40/45/134544045.db2.gz XRSQNRCEQQDLSX-POYBYMJQSA-N 1 0 211.265 0.898 10 0 BCAERO COC(=O)[C@H](C)C[NH+]1CCC([C@H](C)O)CC1 ZINC000234537718 134579755 /nfs/dbraw/zinc/57/97/55/134579755.db2.gz PABQBFQAMYKJKB-ZJUUUORDSA-N 1 0 229.320 0.888 10 0 BCAERO CN(C(=O)c1ccc(F)cn1)C1C[NH2+]C1 ZINC000130015646 134615871 /nfs/dbraw/zinc/61/58/71/134615871.db2.gz AVFFRYJQBJLXFF-UHFFFAOYSA-N 1 0 209.224 0.265 10 0 BCAERO C[C@@H]1OCC[C@H]1[NH2+]C[C@H](O)Cn1cccn1 ZINC000134542145 134713630 /nfs/dbraw/zinc/71/36/30/134713630.db2.gz WAGMVMRPEDBOFG-GARJFASQSA-N 1 0 225.292 0.011 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N1CCNC(=O)[C@@H]1C(C)C ZINC000158447353 134731948 /nfs/dbraw/zinc/73/19/48/134731948.db2.gz LPBZZQDZOMHCTI-UWVGGRQHSA-N 1 0 241.335 0.097 10 0 BCAERO CC[C@H]([NH3+])CNc1nc(OC)cc(OC)n1 ZINC000159006694 134758638 /nfs/dbraw/zinc/75/86/38/134758638.db2.gz LOOCSPQCDCPWFW-ZETCQYMHSA-N 1 0 226.280 0.643 10 0 BCAERO C[C@H]1CN(C(=O)[C@H]2CC[NH2+]C2)CCS1 ZINC000155700663 134817037 /nfs/dbraw/zinc/81/70/37/134817037.db2.gz PWMYJNBYPNEZOJ-IUCAKERBSA-N 1 0 214.334 0.560 10 0 BCAERO O=C1NCCC[C@@H]1[NH2+]C1CCC(O)CC1 ZINC000236468897 134826622 /nfs/dbraw/zinc/82/66/22/134826622.db2.gz FACDWWYFVPITAX-RTBKNWGFSA-N 1 0 212.293 0.158 10 0 BCAERO CO[C@H](C)C[N@@H+]1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000248443492 135008827 /nfs/dbraw/zinc/00/88/27/135008827.db2.gz VVTHZYWSYOTSRZ-JHJVBQTASA-N 1 0 242.363 0.674 10 0 BCAERO C[C@@H](O)C[N@@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000248647222 135018694 /nfs/dbraw/zinc/01/86/94/135018694.db2.gz IDZJQFWTNKWNOK-KOLCDFICSA-N 1 0 209.293 0.938 10 0 BCAERO CCn1ncnc1CN1CC[N@@H+]2CCCC[C@H]2C1 ZINC000248818464 135022825 /nfs/dbraw/zinc/02/28/25/135022825.db2.gz VQHFYCQALMCSJX-LBPRGKRZSA-N 1 0 249.362 0.968 10 0 BCAERO C[C@@H](C[NH2+][C@H]1CCOC[C@H]1C)N1CCOCC1 ZINC000249157508 135035874 /nfs/dbraw/zinc/03/58/74/135035874.db2.gz XNJOKVOPEPTBOD-AGIUHOORSA-N 1 0 242.363 0.722 10 0 BCAERO COC(=O)[C@@H](C)C[N@@H+]1CCCC[C@H]1CO ZINC000251082994 135062803 /nfs/dbraw/zinc/06/28/03/135062803.db2.gz IJGNFVGGUOHETN-UWVGGRQHSA-N 1 0 215.293 0.642 10 0 BCAERO CCONC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000251543973 135070131 /nfs/dbraw/zinc/07/01/31/135070131.db2.gz GOLNGIFMZIWQOX-ZJUUUORDSA-N 1 0 227.308 0.816 10 0 BCAERO C[C@H](O)CCN1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000251759505 135076464 /nfs/dbraw/zinc/07/64/64/135076464.db2.gz LTDIZPKQIYXLAW-GRYCIOLGSA-N 1 0 212.337 0.926 10 0 BCAERO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1CC(N)=O ZINC000252662168 135093927 /nfs/dbraw/zinc/09/39/27/135093927.db2.gz VPMDLIXHVAPVFE-UWVGGRQHSA-N 1 0 211.309 0.030 10 0 BCAERO C[C@@H](NC(=O)[C@@H]1CC[C@H](C[NH3+])O1)C1CC1 ZINC000087046074 135104936 /nfs/dbraw/zinc/10/49/36/135104936.db2.gz SBLVUFWRVVBFNN-QNSHHTMESA-N 1 0 212.293 0.407 10 0 BCAERO C[C@@H]1OCC[C@@H]1NC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000252738537 135105628 /nfs/dbraw/zinc/10/56/28/135105628.db2.gz DQDKYPDHLBEZBB-QEYWKRMJSA-N 1 0 212.293 0.407 10 0 BCAERO CC(C)OC[C@H](O)C[NH2+][C@@H]1CCO[C@H]1C ZINC000252740426 135105638 /nfs/dbraw/zinc/10/56/38/135105638.db2.gz HAEHJOHPHOJRSE-HBNTYKKESA-N 1 0 217.309 0.539 10 0 BCAERO CC[N@H+](C)CCNC(=O)[C@H]1CCC[NH2+][C@@H]1C ZINC000087122840 135106875 /nfs/dbraw/zinc/10/68/75/135106875.db2.gz OKPHKCMGMURQFE-MNOVXSKESA-N 1 0 227.352 0.442 10 0 BCAERO [NH3+]CC(=O)NC[C@@H](O)c1cccc(Cl)c1 ZINC000261571687 135110222 /nfs/dbraw/zinc/11/02/22/135110222.db2.gz HSLLHXYZFPCWED-SECBINFHSA-N 1 0 228.679 0.448 10 0 BCAERO CCOc1ncccc1CNC(=O)[C@H]1CCC[NH2+]1 ZINC000078243350 135111175 /nfs/dbraw/zinc/11/11/75/135111175.db2.gz VCLOBJBRIJRCDC-LLVKDONJSA-N 1 0 249.314 0.849 10 0 BCAERO CC1(CNC(=O)[C@]2(C)CCC[NH2+]C2)COC1 ZINC000087197826 135112359 /nfs/dbraw/zinc/11/23/59/135112359.db2.gz OJVMQXQWFJWKEN-GFCCVEGCSA-N 1 0 226.320 0.529 10 0 BCAERO C[C@H]([NH3+])[C@H](C)C(=O)NC[C@H]1CCC[C@H]1O ZINC000252856324 135113911 /nfs/dbraw/zinc/11/39/11/135113911.db2.gz KRXTWGGYVIGNLN-AXTSPUMRSA-N 1 0 214.309 0.247 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)NC[C@]1(C)CCCO1 ZINC000087253837 135114556 /nfs/dbraw/zinc/11/45/56/135114556.db2.gz LGYBCWSYBQXTIZ-KOLCDFICSA-N 1 0 214.309 0.799 10 0 BCAERO CCN(CC)C(=O)[C@H](C)[N@@H+]1CC[C@H](CCO)C1 ZINC000252888318 135115048 /nfs/dbraw/zinc/11/50/48/135115048.db2.gz AGKJWHQHMKRDAJ-NWDGAFQWSA-N 1 0 242.363 0.948 10 0 BCAERO CCC[C@@](C)([NH3+])C(=O)N[C@@H](CCO)CSC ZINC000262576829 135119839 /nfs/dbraw/zinc/11/98/39/135119839.db2.gz OVNOLSSZVOYHNZ-GXSJLCMTSA-N 1 0 248.392 0.734 10 0 BCAERO O=C(NC[C@H]1CCSC1)NC1C[NH2+]C1 ZINC000258663057 135132824 /nfs/dbraw/zinc/13/28/24/135132824.db2.gz SNAGFJPWRRSDDG-SSDOTTSWSA-N 1 0 215.322 0.011 10 0 BCAERO Cc1ccsc1CCNC(=O)C1C[NH2+]C1 ZINC000258797626 135133897 /nfs/dbraw/zinc/13/38/97/135133897.db2.gz VQYNAZLTDGXAOW-UHFFFAOYSA-N 1 0 224.329 0.935 10 0 BCAERO CCS(=O)(=O)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000259082212 135136998 /nfs/dbraw/zinc/13/69/98/135136998.db2.gz IYTNAYZEFFLSMR-MRVPVSSYSA-N 1 0 220.338 0.395 10 0 BCAERO C[C@@H]1C(=O)N(C)CCN1C[C@H]1CCC[NH2+]C1 ZINC000257800680 135141581 /nfs/dbraw/zinc/14/15/81/135141581.db2.gz YLVIGKLJGVMZHT-MNOVXSKESA-N 1 0 225.336 0.149 10 0 BCAERO C[C@H]1C[C@@H](CNC(=O)C2C[NH2+]C2)CCO1 ZINC000261545730 135150618 /nfs/dbraw/zinc/15/06/18/135150618.db2.gz KGIMYWQVUBAOQO-IUCAKERBSA-N 1 0 212.293 0.137 10 0 BCAERO CCCSCC(=O)N(C)C1C[NH2+]C1 ZINC000261528633 135153974 /nfs/dbraw/zinc/15/39/74/135153974.db2.gz MXDZNZNAPUTWLU-UHFFFAOYSA-N 1 0 202.323 0.560 10 0 BCAERO CCCSCC(=O)NC[C@H](C)[NH2+]C ZINC000261529252 135155240 /nfs/dbraw/zinc/15/52/40/135155240.db2.gz QJOAOBIRKLZLDZ-QMMMGPOBSA-N 1 0 204.339 0.854 10 0 BCAERO C[NH2+][C@@H](C)CNC(=O)[C@H](C)CSC ZINC000261529797 135156848 /nfs/dbraw/zinc/15/68/48/135156848.db2.gz VUMMCXUYTJJNIM-SFYZADRCSA-N 1 0 204.339 0.710 10 0 BCAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)C(F)(F)C(F)F ZINC000261531203 135160017 /nfs/dbraw/zinc/16/00/17/135160017.db2.gz FPVGMUGYXKRMTF-UHNVWZDZSA-N 1 0 228.189 0.835 10 0 BCAERO FC(F)(F)CN1CC[C@H](C[NH2+]C2COC2)C1 ZINC000087597226 135160198 /nfs/dbraw/zinc/16/01/98/135160198.db2.gz OQYMEKRVJDCIEH-MRVPVSSYSA-N 1 0 238.253 0.859 10 0 BCAERO O=C(NC[C@@H]1CC[NH2+]C1)[C@H]1CCCOC1 ZINC000087654591 135161222 /nfs/dbraw/zinc/16/12/22/135161222.db2.gz RLONHWRLLZMQDL-ZJUUUORDSA-N 1 0 212.293 0.139 10 0 BCAERO Cc1c(C(=O)NC[C@H]2CC[NH2+]C2)cnn1C ZINC000087654674 135161829 /nfs/dbraw/zinc/16/18/29/135161829.db2.gz XNPSNLRQCYSOQG-VIFPVBQESA-N 1 0 222.292 0.068 10 0 BCAERO CC(C)NC(=O)[C@@H]([NH3+])C1CCOCC1 ZINC000261532038 135162015 /nfs/dbraw/zinc/16/20/15/135162015.db2.gz IVMGOXQBBHFBTN-VIFPVBQESA-N 1 0 200.282 0.265 10 0 BCAERO O=C(CC(F)(F)F)NC[C@H]1CC[NH2+]C1 ZINC000087654744 135162054 /nfs/dbraw/zinc/16/20/54/135162054.db2.gz OWVYPSPZMIXRLV-LURJTMIESA-N 1 0 210.199 0.665 10 0 BCAERO C[C@H](C[NH3+])C(=O)N1[C@H](C)COC[C@@H]1C ZINC000261531898 135162077 /nfs/dbraw/zinc/16/20/77/135162077.db2.gz IHUQDEJHQYQEPN-HLTSFMKQSA-N 1 0 200.282 0.217 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@@H]1CCCS1 ZINC000087668661 135163527 /nfs/dbraw/zinc/16/35/27/135163527.db2.gz XPCGCZUUASYCOX-KXUCPTDWSA-N 1 0 228.361 0.854 10 0 BCAERO COC[C@H](C)C(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000261533176 135164395 /nfs/dbraw/zinc/16/43/95/135164395.db2.gz AVYGVODRBLBDCQ-AEJSXWLSSA-N 1 0 214.309 0.478 10 0 BCAERO CN(C(=O)[C@@H]1C[C@@]12CC[NH2+]C2)C1CCC1 ZINC000261533188 135164503 /nfs/dbraw/zinc/16/45/03/135164503.db2.gz AWQBGYHVQFQNJU-CMPLNLGQSA-N 1 0 208.305 0.997 10 0 BCAERO CC[C@H]1CC[C@H](C(=O)N(C)C2C[NH2+]C2)O1 ZINC000261533498 135164762 /nfs/dbraw/zinc/16/47/62/135164762.db2.gz BDXNRRZVJZUTCF-VHSXEESVSA-N 1 0 212.293 0.374 10 0 BCAERO Cc1nccn1C[C@@H]1CCCN1CC[NH3+] ZINC000261534046 135165459 /nfs/dbraw/zinc/16/54/59/135165459.db2.gz LPVBIQNMUXZGCC-NSHDSACASA-N 1 0 208.309 0.615 10 0 BCAERO Cc1nc(CN2CC[C@H](C)C[C@H]2C[NH3+])no1 ZINC000261534261 135167008 /nfs/dbraw/zinc/16/70/08/135167008.db2.gz PCIIMYYKUOCVKF-WPRPVWTQSA-N 1 0 224.308 0.937 10 0 BCAERO C[C@H]1CCN(S(=O)(=O)CC2CC2)[C@H](C[NH3+])C1 ZINC000261534674 135168092 /nfs/dbraw/zinc/16/80/92/135168092.db2.gz SNLONKZOQZDNHS-ONGXEEELSA-N 1 0 246.376 0.785 10 0 BCAERO C[C@@H](C[NH3+])NC(=O)c1ncncc1Cl ZINC000261535078 135168714 /nfs/dbraw/zinc/16/87/14/135168714.db2.gz NSNIBMNOJXCUCT-YFKPBYRVSA-N 1 0 214.656 0.207 10 0 BCAERO CO[C@H](C[NH3+])CC(=O)N[C@@H](C)[C@H]1CCCO1 ZINC000261534971 135169150 /nfs/dbraw/zinc/16/91/50/135169150.db2.gz UYDLFDDJQBGNAJ-LPEHRKFASA-N 1 0 230.308 0.034 10 0 BCAERO CCNC(=O)CN1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261535540 135169367 /nfs/dbraw/zinc/16/93/67/135169367.db2.gz OMWXIRUVMIPAMT-VIFPVBQESA-N 1 0 213.325 0.182 10 0 BCAERO C[C@H]([NH3+])CN1CCC[C@H]1c1cnn(C)c1 ZINC000261535767 135170344 /nfs/dbraw/zinc/17/03/44/135170344.db2.gz PCTBBXNRDQHOTE-ONGXEEELSA-N 1 0 208.309 0.904 10 0 BCAERO [NH3+]C[C@@H]1CCCN1S(=O)(=O)CCC1CC1 ZINC000261536165 135171649 /nfs/dbraw/zinc/17/16/49/135171649.db2.gz QPQWZVFGGCYTIG-JTQLQIEISA-N 1 0 232.349 0.539 10 0 BCAERO [NH3+][C@@H]1CCCC[C@H]1CC(=O)N[C@@H]1CCOC1 ZINC000087789876 135171676 /nfs/dbraw/zinc/17/16/76/135171676.db2.gz ASMUSQYNQPMRHY-HBNTYKKESA-N 1 0 226.320 0.799 10 0 BCAERO COC(=O)CCN1CC[C@H](C)C[C@H]1C[NH3+] ZINC000261538407 135176342 /nfs/dbraw/zinc/17/63/42/135176342.db2.gz XZHHFNYJYAONFU-UWVGGRQHSA-N 1 0 214.309 0.609 10 0 BCAERO COC[C@H]([NH3+])C(=O)N1CC[C@H](C)[C@H]1C ZINC000261538704 135176749 /nfs/dbraw/zinc/17/67/49/135176749.db2.gz YZNRXRHCFZWQDH-YIZRAAEISA-N 1 0 200.282 0.217 10 0 BCAERO C[C@H]1CCCN(C(=O)COC2C[NH2+]C2)C1 ZINC000261538967 135177396 /nfs/dbraw/zinc/17/73/96/135177396.db2.gz BFRTVOYSPAKUQI-VIFPVBQESA-N 1 0 212.293 0.233 10 0 BCAERO CC[C@@H]1CC[C@@H](C(=O)NC[C@@H](C)[NH2+]C)O1 ZINC000261539228 135178015 /nfs/dbraw/zinc/17/80/15/135178015.db2.gz BWIJGDUSMLIXOZ-BBBLOLIVSA-N 1 0 214.309 0.668 10 0 BCAERO C[NH2+]C[C@@H]1CCN(C(=O)[C@@H](C)COC)C1 ZINC000261539766 135178494 /nfs/dbraw/zinc/17/84/94/135178494.db2.gz DCMOXISTDXLVDZ-UWVGGRQHSA-N 1 0 214.309 0.337 10 0 BCAERO Cc1cc(C(=O)N2CCCC[C@@H]2C[NH3+])nn1C ZINC000261539843 135178656 /nfs/dbraw/zinc/17/86/56/135178656.db2.gz BULAWLNWBOAVLW-SNVBAGLBSA-N 1 0 236.319 0.682 10 0 BCAERO CCN1CN(C[C@@H]2CCC[NH2+]C2)CC1=O ZINC000261539667 135178689 /nfs/dbraw/zinc/17/86/89/135178689.db2.gz CXOAJVYVBQIQNU-SNVBAGLBSA-N 1 0 211.309 0.108 10 0 BCAERO O=C(NC1CC[NH2+]CC1)[C@H]1C[C@H]1C1CC1 ZINC000261539979 135178706 /nfs/dbraw/zinc/17/87/06/135178706.db2.gz DJVBMBIDUFDZLE-QWRGUYRKSA-N 1 0 208.305 0.901 10 0 BCAERO CN(Cc1ccon1)C(=O)[C@@H]1CC[NH2+]C1 ZINC000261540046 135178760 /nfs/dbraw/zinc/17/87/60/135178760.db2.gz DQMRZQVJGSYLOD-MRVPVSSYSA-N 1 0 209.249 0.243 10 0 BCAERO O=C(NCc1ccc(Cl)cn1)C1C[NH2+]C1 ZINC000261541378 135181251 /nfs/dbraw/zinc/18/12/51/135181251.db2.gz FSKUOFMQHGDAKO-UHFFFAOYSA-N 1 0 225.679 0.571 10 0 BCAERO C[C@@]1(C[NH3+])CCN(c2ccnc(C(N)=O)c2)C1 ZINC000261541506 135181345 /nfs/dbraw/zinc/18/13/45/135181345.db2.gz BFFGBQSWDUUTII-LBPRGKRZSA-N 1 0 234.303 0.356 10 0 BCAERO COc1c(CN2C[C@H](C)[C@H]([NH3+])C2)c(C)nn1C ZINC000261542213 135182466 /nfs/dbraw/zinc/18/24/66/135182466.db2.gz NUCPULIXEYCBOX-GZMMTYOYSA-N 1 0 238.335 0.516 10 0 BCAERO Cc1n[nH]cc1C(=O)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261543381 135183671 /nfs/dbraw/zinc/18/36/71/135183671.db2.gz DASLRVYFEVAELR-JTQLQIEISA-N 1 0 236.319 0.918 10 0 BCAERO C[C@@H]1CN(CC(=O)N2CCCC[C@H]2C)C[C@@H]1[NH3+] ZINC000261543820 135184493 /nfs/dbraw/zinc/18/44/93/135184493.db2.gz VISLVYIJXMXDTO-UTUOFQBUSA-N 1 0 239.363 0.666 10 0 BCAERO C[C@H](O)C1CCN(C(=O)[C@@H]2CCC[C@H]2[NH3+])CC1 ZINC000261543821 135184533 /nfs/dbraw/zinc/18/45/33/135184533.db2.gz VKSDLWLKXDNEAQ-MVWJERBFSA-N 1 0 240.347 0.733 10 0 BCAERO CC(C)N(C)C(=O)CN1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261544928 135185999 /nfs/dbraw/zinc/18/59/99/135185999.db2.gz FGOSGMUZAFPQLW-VXGBXAGGSA-N 1 0 239.363 0.395 10 0 BCAERO CC1(C)CN(CC(=O)NCC2CC2)CC[C@@H]1[NH3+] ZINC000261544659 135186054 /nfs/dbraw/zinc/18/60/54/135186054.db2.gz FDGWIESCBXSRTL-NSHDSACASA-N 1 0 239.363 0.572 10 0 BCAERO O=C(NC[C@H]1CCCC[C@H]1O)[C@H]1CC[NH2+]1 ZINC000261548830 135187187 /nfs/dbraw/zinc/18/71/87/135187187.db2.gz NYGWLFQUUSQPTI-OPRDCNLKSA-N 1 0 212.293 0.016 10 0 BCAERO CN(C(=O)[C@@H]1C[C@H]1C1CC1)[C@H]1CC[NH2+]C1 ZINC000261548642 135187237 /nfs/dbraw/zinc/18/72/37/135187237.db2.gz NSTGRYMOCVWPBR-GARJFASQSA-N 1 0 208.305 0.853 10 0 BCAERO O=C(C1C[NH2+]C1)N1CCc2cnccc21 ZINC000261548710 135187485 /nfs/dbraw/zinc/18/74/85/135187485.db2.gz NXJNORLWCXGZID-UHFFFAOYSA-N 1 0 203.245 0.190 10 0 BCAERO C[NH2+]CCN(C)Cc1ncc(COC)s1 ZINC000261551202 135190034 /nfs/dbraw/zinc/19/00/34/135190034.db2.gz QICHKFRHQJHQDD-UHFFFAOYSA-N 1 0 229.349 0.941 10 0 BCAERO CC[C@H](C)NC(=O)CN1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261551225 135190093 /nfs/dbraw/zinc/19/00/93/135190093.db2.gz LUEPWKHTMQUCPR-YFKTTZPYSA-N 1 0 239.363 0.570 10 0 BCAERO COC[C@H](C)C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000261552834 135191826 /nfs/dbraw/zinc/19/18/26/135191826.db2.gz RWZAYMJVHWTZQC-LPEHRKFASA-N 1 0 214.309 0.383 10 0 BCAERO COC[C@H](C)C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000261553169 135192399 /nfs/dbraw/zinc/19/23/99/135192399.db2.gz SFKRZQHEBCBULM-IVZWLZJFSA-N 1 0 214.309 0.526 10 0 BCAERO Cc1nc(CNC[C@@H]2C[NH2+]C[C@@H]2O)cs1 ZINC000261553700 135192531 /nfs/dbraw/zinc/19/25/31/135192531.db2.gz SRCCLXYKTUDNFA-SCZZXKLOSA-N 1 0 227.333 0.121 10 0 BCAERO CCC1(C[NH2+]C[C@@H]2CNCCO2)CCOCC1 ZINC000261553313 135192885 /nfs/dbraw/zinc/19/28/85/135192885.db2.gz NVGKBKJGXLTKJL-LBPRGKRZSA-N 1 0 242.363 0.771 10 0 BCAERO Cc1nc(CNC[C@H]2C[NH2+]C[C@H]2O)cs1 ZINC000261553702 135193100 /nfs/dbraw/zinc/19/31/00/135193100.db2.gz SRCCLXYKTUDNFA-WCBMZHEXSA-N 1 0 227.333 0.121 10 0 BCAERO CCC[C@](C)([NH3+])C(=O)NC[C@@H]1CCC[C@@H]1O ZINC000084238229 135194081 /nfs/dbraw/zinc/19/40/81/135194081.db2.gz NLLCPCHYXHESDA-NHCYSSNCSA-N 1 0 228.336 0.781 10 0 BCAERO O=C(NC[C@@H]1CCC[C@@H]1O)C1CC[NH2+]CC1 ZINC000084238838 135194397 /nfs/dbraw/zinc/19/43/97/135194397.db2.gz UQYSLEZWEIRWNZ-QWRGUYRKSA-N 1 0 226.320 0.263 10 0 BCAERO O=C(NC[C@@H]1CCC[C@@H]1O)[C@@H]1CCC[NH2+]C1 ZINC000084238714 135194426 /nfs/dbraw/zinc/19/44/26/135194426.db2.gz UINJUUSYXCBGQT-AXFHLTTASA-N 1 0 226.320 0.263 10 0 BCAERO O=C(NC[C@@H]1CC[NH2+]C1)[C@H]1CSCCS1 ZINC000261555720 135195256 /nfs/dbraw/zinc/19/52/56/135195256.db2.gz VDTOFTNYVHZTDK-RKDXNWHRSA-N 1 0 246.401 0.561 10 0 BCAERO C1CC1[NH2+][C@H]1CCC[C@H]1[C@@H]1COCCN1 ZINC000261556529 135196746 /nfs/dbraw/zinc/19/67/46/135196746.db2.gz WADYHBJIOSGKEJ-WOPDTQHZSA-N 1 0 210.321 0.896 10 0 BCAERO C[NH2+]C1CCN(C(=O)[C@@H](C)COC)CC1 ZINC000261559003 135199387 /nfs/dbraw/zinc/19/93/87/135199387.db2.gz YSVXORWBXZTIFI-VIFPVBQESA-N 1 0 214.309 0.479 10 0 BCAERO Cc1cnc(CN2C[C@H]([NH3+])[C@@H](C)C2)cn1 ZINC000261558650 135199905 /nfs/dbraw/zinc/19/99/05/135199905.db2.gz YOLMFPNDFULCDL-KWQFWETISA-N 1 0 206.293 0.564 10 0 BCAERO COC[C@H](C)C(=O)N1CC[NH2+][C@H](C)[C@@H]1C ZINC000261560125 135200745 /nfs/dbraw/zinc/20/07/45/135200745.db2.gz ZRJQFBIPUXORJX-AEJSXWLSSA-N 1 0 214.309 0.478 10 0 BCAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)[C@@H](O)c1ccccc1 ZINC000261560155 135200890 /nfs/dbraw/zinc/20/08/90/135200890.db2.gz UGMVNCFBCWYIAY-USWWRNFRSA-N 1 0 234.299 0.668 10 0 BCAERO CCC(C)(C)C(=O)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000261560407 135200922 /nfs/dbraw/zinc/20/09/22/135200922.db2.gz ZWUGNQPWIQHDEA-BDAKNGLRSA-N 1 0 214.309 0.119 10 0 BCAERO COC[C@H](C)C(=O)N1CC[NH2+][C@@H](C)[C@@H]1C ZINC000261560126 135201238 /nfs/dbraw/zinc/20/12/38/135201238.db2.gz ZRJQFBIPUXORJX-GUBZILKMSA-N 1 0 214.309 0.478 10 0 BCAERO Cc1cc(C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)nn1C ZINC000261560236 135201250 /nfs/dbraw/zinc/20/12/50/135201250.db2.gz FBSNOONMVWUXFL-AXFHLTTASA-N 1 0 248.330 0.538 10 0 BCAERO COC[C@H](C)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000261560352 135201484 /nfs/dbraw/zinc/20/14/84/135201484.db2.gz ZTTKNZBZTMTHDC-AEJSXWLSSA-N 1 0 214.309 0.655 10 0 BCAERO Cc1ccnc(N2CC[C@H]3C[NH2+]C[C@H]3C2)n1 ZINC000261562137 135203627 /nfs/dbraw/zinc/20/36/27/135203627.db2.gz BCGHKWCHCZKECP-QWRGUYRKSA-N 1 0 218.304 0.831 10 0 BCAERO CC(C)NS(=O)(=O)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261562123 135203832 /nfs/dbraw/zinc/20/38/32/135203832.db2.gz BBRYGBLIQGJVEU-VIFPVBQESA-N 1 0 249.380 0.288 10 0 BCAERO C[C@H]1COCCN1C(=O)CC[C@H]1CCC[NH2+]1 ZINC000261562435 135204087 /nfs/dbraw/zinc/20/40/87/135204087.db2.gz BHFTZDBMQVJTSX-WDEREUQCSA-N 1 0 226.320 0.766 10 0 BCAERO Cc1cc(N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)ncn1 ZINC000261562537 135204686 /nfs/dbraw/zinc/20/46/86/135204686.db2.gz BIZQTWSKDHPYCR-GARJFASQSA-N 1 0 218.304 0.959 10 0 BCAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)N1CCCOCC1 ZINC000084310784 135207826 /nfs/dbraw/zinc/20/78/26/135207826.db2.gz ARZSGXKLSGGWOH-GHMZBOCLSA-N 1 0 226.320 0.610 10 0 BCAERO C[C@@H]1CCN(c2ccnc(N(C)C)n2)C[C@@H]1C[NH3+] ZINC000163965555 135209591 /nfs/dbraw/zinc/20/95/91/135209591.db2.gz WWGWXLUIJMERQE-MNOVXSKESA-N 1 0 249.362 0.964 10 0 BCAERO CC(C)[C@H]([NH3+])C(=O)NCCC1CCOCC1 ZINC000261569458 135211728 /nfs/dbraw/zinc/21/17/28/135211728.db2.gz GICACRNGSFIXOC-NSHDSACASA-N 1 0 228.336 0.903 10 0 BCAERO CN(C)c1nccc(N2CC[C@@H]3[NH2+]CC[C@H]3C2)n1 ZINC000261569830 135212676 /nfs/dbraw/zinc/21/26/76/135212676.db2.gz KBKISVLNFSBBET-QWRGUYRKSA-N 1 0 247.346 0.731 10 0 BCAERO O=C(CC[C@@H]1CCC[NH2+]1)N[C@@H]1CCCOC1 ZINC000261571241 135212791 /nfs/dbraw/zinc/21/27/91/135212791.db2.gz HJFAFMCEOFEATR-WDEREUQCSA-N 1 0 226.320 0.814 10 0 BCAERO C[C@@H]1SCCN(C(=O)C2C[NH2+]C2)[C@H]1C ZINC000164135072 135213060 /nfs/dbraw/zinc/21/30/60/135213060.db2.gz GARKZDGGEPCOKK-YUMQZZPRSA-N 1 0 214.334 0.558 10 0 BCAERO [NH3+]C[C@H]1CCCN1C(=O)C[C@H]1CCOC1 ZINC000261574114 135215594 /nfs/dbraw/zinc/21/55/94/135215594.db2.gz JBZCEMSWKZEBTA-NXEZZACHSA-N 1 0 212.293 0.363 10 0 BCAERO CC[N@H+](C)CCNC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000261576347 135217280 /nfs/dbraw/zinc/21/72/80/135217280.db2.gz KHMNXCFMBXGGMZ-NSHDSACASA-N 1 0 227.352 0.587 10 0 BCAERO Cc1ocnc1C(=O)N1CCC[C@@H]1C[NH3+] ZINC000261577040 135218514 /nfs/dbraw/zinc/21/85/14/135218514.db2.gz KUXJUARDGUXOCK-MRVPVSSYSA-N 1 0 209.249 0.546 10 0 BCAERO Cc1nn(C)cc1C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261577420 135219014 /nfs/dbraw/zinc/21/90/14/135219014.db2.gz OHVVCLWLTIGUKX-ZMLRMANQSA-N 1 0 248.330 0.538 10 0 BCAERO CC1(C)CN(c2ccnc(C(N)=O)c2)CC[C@@H]1[NH3+] ZINC000261582278 135223147 /nfs/dbraw/zinc/22/31/47/135223147.db2.gz RCUQAONWSRAQOG-NSHDSACASA-N 1 0 248.330 0.744 10 0 BCAERO C[C@@H]1[C@H]([NH3+])CCN1S(=O)(=O)c1ccccc1 ZINC000261583281 135224602 /nfs/dbraw/zinc/22/46/02/135224602.db2.gz OWZMKADXPZMBAN-MWLCHTKSSA-N 1 0 240.328 0.797 10 0 BCAERO [NH3+][C@@H]1CC[C@H]2CN(C(=O)NC3CCC3)C[C@H]12 ZINC000261583865 135224735 /nfs/dbraw/zinc/22/47/35/135224735.db2.gz PHQFXXNNKLBBCD-INTQDDNPSA-N 1 0 223.320 0.918 10 0 BCAERO C[C@@H]1OCC[C@H]1NC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000261583887 135225074 /nfs/dbraw/zinc/22/50/74/135225074.db2.gz PIYJSMYOEDZVTN-GARJFASQSA-N 1 0 226.320 0.812 10 0 BCAERO Cc1ocnc1C(=O)N1CCC[C@H]([NH3+])C1 ZINC000261586485 135227410 /nfs/dbraw/zinc/22/74/10/135227410.db2.gz RCRGNBPNCHDIMK-QMMMGPOBSA-N 1 0 209.249 0.546 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N1C[C@@H](C)CC1(C)C ZINC000261586489 135227780 /nfs/dbraw/zinc/22/77/80/135227780.db2.gz RCTKAPXNTNAGFP-DTWKUNHWSA-N 1 0 214.309 0.607 10 0 BCAERO NC(=O)c1ccc(NCC2([NH3+])CCCCC2)nn1 ZINC000261587101 135228285 /nfs/dbraw/zinc/22/82/85/135228285.db2.gz UVMCQDFKGNCEHI-UHFFFAOYSA-N 1 0 249.318 0.649 10 0 BCAERO CCOc1cc(N2CC[C@@H]([NH3+])[C@H]2C)ncn1 ZINC000261589962 135230931 /nfs/dbraw/zinc/23/09/31/135230931.db2.gz UFSHKGWFFVOLIB-RKDXNWHRSA-N 1 0 222.292 0.801 10 0 BCAERO CC(C)([NH3+])CN1CCc2cncnc2C1 ZINC000261592915 135233319 /nfs/dbraw/zinc/23/33/19/135233319.db2.gz WHDYNOFDWFKBIO-UHFFFAOYSA-N 1 0 206.293 0.572 10 0 BCAERO [NH3+]CCN1CCO[C@H](c2nccs2)C1 ZINC000261592848 135233484 /nfs/dbraw/zinc/23/34/84/135233484.db2.gz WFKIJIXGGNCCRR-QMMMGPOBSA-N 1 0 213.306 0.475 10 0 BCAERO [NH3+][C@@H]1CC[C@@H]2CN(Cc3cocn3)C[C@H]12 ZINC000261592813 135233500 /nfs/dbraw/zinc/23/35/00/135233500.db2.gz WDWOIMVYPQWKNL-DVVUODLYSA-N 1 0 207.277 0.844 10 0 BCAERO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)c3ccon3)C[C@@H]12 ZINC000261595266 135234989 /nfs/dbraw/zinc/23/49/89/135234989.db2.gz YAEDVEUWLFJUPE-IWSPIJDZSA-N 1 0 221.260 0.484 10 0 BCAERO [NH3+][C@H]1CCCN(C(=O)CN2CCSC2=O)C1 ZINC000261595471 135235866 /nfs/dbraw/zinc/23/58/66/135235866.db2.gz YEKIIATZWWEAJO-QMMMGPOBSA-N 1 0 243.332 0.105 10 0 BCAERO COC[C@H](C)C(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000261546352 135238581 /nfs/dbraw/zinc/23/85/81/135238581.db2.gz KWQVYJAOLUPKPC-UTLUCORTSA-N 1 0 214.309 0.465 10 0 BCAERO CN(Cc1cc[nH]n1)[C@H]1CCC[NH2+]CC1 ZINC000261546847 135239019 /nfs/dbraw/zinc/23/90/19/135239019.db2.gz LIXKOWHSAQNJMX-NSHDSACASA-N 1 0 208.309 0.984 10 0 BCAERO Cn1nccc1C(=O)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261547898 135240755 /nfs/dbraw/zinc/24/07/55/135240755.db2.gz IXCYIGQHLHONGR-SNVBAGLBSA-N 1 0 236.319 0.620 10 0 BCAERO CC1(C)CN(C(=O)[C@@H]2CCCOC2)CC[C@@H]1[NH3+] ZINC000261547681 135240762 /nfs/dbraw/zinc/24/07/62/135240762.db2.gz IMMBPHSMDJXRNH-MNOVXSKESA-N 1 0 240.347 0.999 10 0 BCAERO CCC[C@@H](C)CS(=O)(=O)NC[C@@H](C)[NH2+]C ZINC000261547792 135240943 /nfs/dbraw/zinc/24/09/43/135240943.db2.gz MTGYCHKJDZMGDF-NXEZZACHSA-N 1 0 236.381 0.950 10 0 BCAERO CN(C(=O)CC[C@@H]1CCOC1)C1C[NH2+]C1 ZINC000261548176 135241615 /nfs/dbraw/zinc/24/16/15/135241615.db2.gz NFVXJTPXKJCWSI-SECBINFHSA-N 1 0 212.293 0.233 10 0 BCAERO C[NH2+]CCC(=O)N1CCC[C@H]1c1cnn(C)c1 ZINC000261548235 135241622 /nfs/dbraw/zinc/24/16/22/135241622.db2.gz JDSOCNMWWHZCPH-NSHDSACASA-N 1 0 236.319 0.693 10 0 BCAERO COC[C@@H](C)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000261548106 135241999 /nfs/dbraw/zinc/24/19/99/135241999.db2.gz MZSRVYYINTZQIA-KOLCDFICSA-N 1 0 214.309 0.466 10 0 BCAERO C[NH2+][C@@H](C)CNC(=O)c1cnccc1C ZINC000261651356 135242954 /nfs/dbraw/zinc/24/29/54/135242954.db2.gz FDWRTGVQOTWLKN-VIFPVBQESA-N 1 0 207.277 0.728 10 0 BCAERO [NH3+][C@@H](C(=O)N[C@H]1CCCOC1)C1CCOCC1 ZINC000261655496 135243375 /nfs/dbraw/zinc/24/33/75/135243375.db2.gz FJAARVRCKPBYOD-WDEREUQCSA-N 1 0 242.319 0.036 10 0 BCAERO [NH3+][C@@H]1CCC[C@H]1CC(=O)N[C@H]1CCCOC1 ZINC000261620943 135244538 /nfs/dbraw/zinc/24/45/38/135244538.db2.gz AVWGANROBPDMQQ-GARJFASQSA-N 1 0 226.320 0.799 10 0 BCAERO C[C@H](NC(=O)C1C[NH2+]C1)c1ccccn1 ZINC000084408879 135247659 /nfs/dbraw/zinc/24/76/59/135247659.db2.gz ACGUOUKFLFKQII-QMMMGPOBSA-N 1 0 205.261 0.478 10 0 BCAERO CCN(C)S(=O)(=O)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261709600 135247749 /nfs/dbraw/zinc/24/77/49/135247749.db2.gz IOLCYBQIIHQMFZ-SECBINFHSA-N 1 0 249.380 0.242 10 0 BCAERO C[NH2+][C@@H](C)CNC(=O)CCc1cscn1 ZINC000261735332 135248813 /nfs/dbraw/zinc/24/88/13/135248813.db2.gz LYUCITDKYGABBX-QMMMGPOBSA-N 1 0 227.333 0.800 10 0 BCAERO C[C@H]1OCC[C@@H]1NC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000261748132 135250091 /nfs/dbraw/zinc/25/00/91/135250091.db2.gz IVEQJHTZBDCYEC-YTWAJWBKSA-N 1 0 226.320 0.798 10 0 BCAERO O=C(CC[C@H]1CCC[NH2+]1)N[C@@H]1CCCC[C@H]1O ZINC000261757378 135250691 /nfs/dbraw/zinc/25/06/91/135250691.db2.gz QSMAOMFWVIZLCM-IJLUTSLNSA-N 1 0 240.347 0.938 10 0 BCAERO CO[C@H]1CN(C(=O)[C@@H]2C[NH2+]C[C@H]2C)CC[C@H]1C ZINC000261761319 135250717 /nfs/dbraw/zinc/25/07/17/135250717.db2.gz RCMDJYPOWIGTTM-KKOKHZNYSA-N 1 0 240.347 0.725 10 0 BCAERO CO[C@H]1CN(C(=O)[C@@H]2C[NH2+]C[C@H]2C)CC[C@@H]1C ZINC000261761321 135250968 /nfs/dbraw/zinc/25/09/68/135250968.db2.gz RCMDJYPOWIGTTM-QCNOEVLYSA-N 1 0 240.347 0.725 10 0 BCAERO COC[C@H](NC(=O)[C@@H]1CCC[C@@H]1C[NH3+])C1CC1 ZINC000261765370 135250981 /nfs/dbraw/zinc/25/09/81/135250981.db2.gz JYXSFGUDLOPKIW-UTUOFQBUSA-N 1 0 240.347 0.903 10 0 BCAERO C[C@H](C(=O)Nc1cccc(C(N)=O)c1)C1C[NH2+]C1 ZINC000164423609 135252193 /nfs/dbraw/zinc/25/21/93/135252193.db2.gz ZMLNAUFVOHUWOI-QMMMGPOBSA-N 1 0 247.298 0.580 10 0 BCAERO C[NH2+][C@@H](C)CNC(=O)c1ccc2nncn2c1 ZINC000261811431 135254710 /nfs/dbraw/zinc/25/47/10/135254710.db2.gz SRFPGNVXQRLXQU-QMMMGPOBSA-N 1 0 233.275 0.067 10 0 BCAERO C[C@@H]1COCCN1C(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000261810472 135254792 /nfs/dbraw/zinc/25/47/92/135254792.db2.gz RUXKUUPJAXUPPV-OUAUKWLOSA-N 1 0 226.320 0.751 10 0 BCAERO CC(C)[C@H]1OCC[C@H]1CNC(=O)C[C@H](C)[NH3+] ZINC000261818427 135255050 /nfs/dbraw/zinc/25/50/50/135255050.db2.gz MGVIVHSXGKEIOP-JBLDHEPKSA-N 1 0 228.336 0.901 10 0 BCAERO [NH3+][C@@H](C(=O)N1CCSCC1)C1CCOCC1 ZINC000261853331 135257686 /nfs/dbraw/zinc/25/76/86/135257686.db2.gz RQQBMIYGYSYYJK-SNVBAGLBSA-N 1 0 244.360 0.316 10 0 BCAERO CCOCC[NH2+][C@@H]1CCC[C@H]1[C@H]1COCCN1 ZINC000261871818 135259201 /nfs/dbraw/zinc/25/92/01/135259201.db2.gz DFRNYHFWLAYWSR-JHJVBQTASA-N 1 0 242.363 0.770 10 0 BCAERO NCC(F)(F)CNC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261900144 135260758 /nfs/dbraw/zinc/26/07/58/135260758.db2.gz WEPIPHYOXGSBOX-HTQZYQBOSA-N 1 0 235.278 0.072 10 0 BCAERO CN(CC(F)F)C(=O)[C@H]([NH3+])C1CCOCC1 ZINC000261901828 135261717 /nfs/dbraw/zinc/26/17/17/135261717.db2.gz WOFSZEVLIQOSQH-SECBINFHSA-N 1 0 236.262 0.464 10 0 BCAERO CC(C)CCNC(=O)[C@H]([NH3+])C1CCOCC1 ZINC000261903184 135261865 /nfs/dbraw/zinc/26/18/65/135261865.db2.gz WUJDSWGESAHBFQ-LLVKDONJSA-N 1 0 228.336 0.903 10 0 BCAERO O=C(COc1cccc(F)c1)NCC1C[NH2+]C1 ZINC000261935139 135264220 /nfs/dbraw/zinc/26/42/20/135264220.db2.gz LXMYWKAAWTUNBZ-UHFFFAOYSA-N 1 0 238.262 0.540 10 0 BCAERO C[C@@H]1CCN(C[C@H]2CCC[NH2+]C2)[C@@H](C(N)=O)C1 ZINC000261948629 135265458 /nfs/dbraw/zinc/26/54/58/135265458.db2.gz NPXQPWDPPJFLKZ-GRYCIOLGSA-N 1 0 239.363 0.572 10 0 BCAERO CCn1c(C)nnc1CN1C[C@H](C[NH3+])C[C@H]1C ZINC000261973058 135267789 /nfs/dbraw/zinc/26/77/89/135267789.db2.gz DVPXIPGVGMBWSJ-KOLCDFICSA-N 1 0 237.351 0.776 10 0 BCAERO CCc1nnc2ccc(NCC(C)(C)[NH3+])nn21 ZINC000261973996 135268321 /nfs/dbraw/zinc/26/83/21/135268321.db2.gz FFYIDVYCGPPWOK-UHFFFAOYSA-N 1 0 234.307 0.836 10 0 BCAERO C[C@H]1c2nncn2CCN1C[C@@H]1CCC[NH2+]C1 ZINC000262003760 135271285 /nfs/dbraw/zinc/27/12/85/135271285.db2.gz UJLYZWSLPYZXGB-WDEREUQCSA-N 1 0 235.335 0.654 10 0 BCAERO CCn1c(C)nnc1CN1CCC(C[NH3+])CC1 ZINC000262002101 135271293 /nfs/dbraw/zinc/27/12/93/135271293.db2.gz QDZWCPFJNNSROQ-UHFFFAOYSA-N 1 0 237.351 0.777 10 0 BCAERO CCn1nccc1NC(=O)[C@@H]1CCC[C@H]1[NH3+] ZINC000262005087 135271754 /nfs/dbraw/zinc/27/17/54/135271754.db2.gz BJJUSIHXLSKQJQ-RKDXNWHRSA-N 1 0 222.292 0.969 10 0 BCAERO O=C(CCC1CCCC1)NC[C@H]1C[NH2+]C[C@H]1O ZINC000262072803 135277370 /nfs/dbraw/zinc/27/73/70/135277370.db2.gz BVCXYVOLXVSFLS-VXGBXAGGSA-N 1 0 240.347 0.653 10 0 BCAERO Cc1cccc(C(=O)NC[C@H]2C[NH2+]C[C@H]2O)c1 ZINC000262078602 135277428 /nfs/dbraw/zinc/27/74/28/135277428.db2.gz CGTJRNHCHHFEKA-VXGBXAGGSA-N 1 0 234.299 0.305 10 0 BCAERO CN(C)c1ccccc1CNC[C@H]1C[NH2+]C[C@@H]1O ZINC000262113491 135279988 /nfs/dbraw/zinc/27/99/88/135279988.db2.gz KUOWPKMVNUYTBB-JSGCOSHPSA-N 1 0 249.358 0.423 10 0 BCAERO C[C@H]1CN(Cc2cc(C(N)=O)cs2)C[C@@H]1[NH3+] ZINC000262127029 135280349 /nfs/dbraw/zinc/28/03/49/135280349.db2.gz XUYPEZGJLVBMJV-XVKPBYJWSA-N 1 0 239.344 0.626 10 0 BCAERO C[C@@H]1CN(Cc2cc(C(N)=O)cs2)C[C@@H]1[NH3+] ZINC000262127027 135280437 /nfs/dbraw/zinc/28/04/37/135280437.db2.gz XUYPEZGJLVBMJV-XCBNKYQSSA-N 1 0 239.344 0.626 10 0 BCAERO C[C@H]1CCC[C@@H]1NC(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000262133890 135280514 /nfs/dbraw/zinc/28/05/14/135280514.db2.gz OIQHWHQHDMAGAF-AATLWQCWSA-N 1 0 212.293 0.014 10 0 BCAERO [NH3+][C@@H](C(=O)NC[C@@H]1CCCO1)C1CCOCC1 ZINC000262168549 135284152 /nfs/dbraw/zinc/28/41/52/135284152.db2.gz YLFDHPBHVUGDMM-WDEREUQCSA-N 1 0 242.319 0.036 10 0 BCAERO C[C@@H]1CN(C(=O)[C@H]2C[C@H](F)C[NH2+]2)C[C@H]1C ZINC000262188868 135284464 /nfs/dbraw/zinc/28/44/64/135284464.db2.gz YBDWFTLZGOOAJF-DOLQZWNJSA-N 1 0 214.284 0.801 10 0 BCAERO COC[C@H]([NH3+])C(=O)N[C@@H]1CC12CCCCC2 ZINC000262220279 135285730 /nfs/dbraw/zinc/28/57/30/135285730.db2.gz FQEVPVQJVNRAKZ-VHSXEESVSA-N 1 0 226.320 0.799 10 0 BCAERO CCOC[C@@H]1CCCN(C(=O)[C@H]([NH3+])COC)C1 ZINC000262228696 135286348 /nfs/dbraw/zinc/28/63/48/135286348.db2.gz GNZDYRWUPLSCFF-GHMZBOCLSA-N 1 0 244.335 0.235 10 0 BCAERO O=C1[C@@H](N[C@@H]2CC[NH2+]C2)CCN1c1ccccc1 ZINC000262239730 135287567 /nfs/dbraw/zinc/28/75/67/135287567.db2.gz WCGDMYQHZRWGOT-YPMHNXCESA-N 1 0 245.326 0.743 10 0 BCAERO C(CC1CCOCC1)NC1=[NH+]CCCN1 ZINC000262260998 135287902 /nfs/dbraw/zinc/28/79/02/135287902.db2.gz SEIZGXOPYKSHNB-UHFFFAOYSA-N 1 0 211.309 0.742 10 0 BCAERO CC[C@@]1(C)CCCN(C(=O)[C@@H]([NH3+])COC)C1 ZINC000262273732 135289224 /nfs/dbraw/zinc/28/92/24/135289224.db2.gz KUOFCQNBWXRXGW-JQWIXIFHSA-N 1 0 228.336 0.999 10 0 BCAERO CCC(C)(C)CC(=O)NC[C@H]1C[NH2+]C[C@H]1O ZINC000262282659 135289728 /nfs/dbraw/zinc/28/97/28/135289728.db2.gz OBCIQFOCOFVOTJ-NXEZZACHSA-N 1 0 228.336 0.509 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N(C)CCC1CCOCC1 ZINC000262283452 135289785 /nfs/dbraw/zinc/28/97/85/135289785.db2.gz MBDFNWONDVFNIL-LLVKDONJSA-N 1 0 244.335 0.235 10 0 BCAERO CC1(C(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)CCCC1 ZINC000262287681 135290640 /nfs/dbraw/zinc/29/06/40/135290640.db2.gz OKBDXFCKYZIFFS-UWVGGRQHSA-N 1 0 226.320 0.263 10 0 BCAERO Cc1noc(C)c1[C@H](C)CNC(=O)C1C[NH2+]C1 ZINC000262289457 135290763 /nfs/dbraw/zinc/29/07/63/135290763.db2.gz XISJGINPPUUUDW-SSDOTTSWSA-N 1 0 237.303 0.731 10 0 BCAERO CCCC1(C(=O)NC[C@H]2C[NH2+]C[C@H]2O)CCC1 ZINC000262302010 135291206 /nfs/dbraw/zinc/29/12/06/135291206.db2.gz PRLHXYUQYBDWKR-GHMZBOCLSA-N 1 0 240.347 0.653 10 0 BCAERO CCCC1(C(=O)NC[C@@H]2C[NH2+]C[C@H]2O)CCC1 ZINC000262302015 135291608 /nfs/dbraw/zinc/29/16/08/135291608.db2.gz PRLHXYUQYBDWKR-WDEREUQCSA-N 1 0 240.347 0.653 10 0 BCAERO CCc1nc(CNC(=O)[C@H]([NH3+])COC)cs1 ZINC000262304579 135292246 /nfs/dbraw/zinc/29/22/46/135292246.db2.gz XXTHKVZKSPXJIX-MRVPVSSYSA-N 1 0 243.332 0.295 10 0 BCAERO Cc1ccccc1C(=O)NC[C@H]1C[NH2+]C[C@H]1O ZINC000262313518 135292344 /nfs/dbraw/zinc/29/23/44/135292344.db2.gz QQEGOTZWPNODGN-ZYHUDNBSSA-N 1 0 234.299 0.305 10 0 BCAERO COC[C@H]([NH3+])C(=O)Nc1ccc(SC)cn1 ZINC000262319634 135292734 /nfs/dbraw/zinc/29/27/34/135292734.db2.gz FBPKUZOBBVQEST-QMMMGPOBSA-N 1 0 241.316 0.716 10 0 BCAERO OCCOc1ccccc1CNC1=[NH+]CCCN1 ZINC000262406077 135295258 /nfs/dbraw/zinc/29/52/58/135295258.db2.gz WLBYCVUBYQCSPC-UHFFFAOYSA-N 1 0 249.314 0.497 10 0 BCAERO CC1(C)C(C(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)C1(C)C ZINC000262398994 135299362 /nfs/dbraw/zinc/29/93/62/135299362.db2.gz YLDYNEQKFLQGMX-IUCAKERBSA-N 1 0 240.347 0.365 10 0 BCAERO COC[C@H]([NH3+])C(=O)Nc1ccc2c(c1)ncn2C ZINC000262478066 135301933 /nfs/dbraw/zinc/30/19/33/135301933.db2.gz ZDODGJUYWYZIRF-VIFPVBQESA-N 1 0 248.286 0.486 10 0 BCAERO CCCC[C@H](NC(N)=O)C(=O)NCC[C@@H](C)[NH3+] ZINC000262543416 135304508 /nfs/dbraw/zinc/30/45/08/135304508.db2.gz XUNKCCVLAJOFEV-BDAKNGLRSA-N 1 0 244.339 0.067 10 0 BCAERO CCO[C@H]1C[C@@H]1C(=O)N(C)CC(C)(C)C[NH3+] ZINC000262592405 135307122 /nfs/dbraw/zinc/30/71/22/135307122.db2.gz UQIGOQDAKDIBHZ-UWVGGRQHSA-N 1 0 228.336 0.855 10 0 BCAERO CCOC[C@@H](O)C[N@H+](C)CC1CC(O)C1 ZINC000084452645 135308272 /nfs/dbraw/zinc/30/82/72/135308272.db2.gz IGJCVOFQUXHPGG-ILDUYXDCSA-N 1 0 217.309 0.087 10 0 BCAERO CC(C)OC[C@H](O)C[N@H+](C)CC1CC(O)C1 ZINC000084452663 135308894 /nfs/dbraw/zinc/30/88/94/135308894.db2.gz HHVRJBSCQIEYFE-HTAVTVPLSA-N 1 0 231.336 0.475 10 0 BCAERO CCC[C@](C)([NH3+])C(=O)N(CC)CCC(=O)OC ZINC000262701787 135314825 /nfs/dbraw/zinc/31/48/25/135314825.db2.gz IYARDKSWUVFQDD-LBPRGKRZSA-N 1 0 244.335 0.916 10 0 BCAERO Cc1nnc2c(NC[C@@H]3CCC[NH2+]3)nccn12 ZINC000079471169 135322411 /nfs/dbraw/zinc/32/24/11/135322411.db2.gz XMLAPAAYBPIPPL-VIFPVBQESA-N 1 0 232.291 0.597 10 0 BCAERO Cc1noc([C@@H](C)N2CCN(CC[NH3+])CC2)n1 ZINC000263005319 135326514 /nfs/dbraw/zinc/32/65/14/135326514.db2.gz PGIXVDRRAKJELV-SECBINFHSA-N 1 0 239.323 0.015 10 0 BCAERO CN1CC[NH2+]C[C@@H]1c1noc(C(C)(C)C)n1 ZINC000263109017 135333420 /nfs/dbraw/zinc/33/34/20/135333420.db2.gz ADPUPQAHMWGJTL-MRVPVSSYSA-N 1 0 224.308 0.943 10 0 BCAERO CN1CC[NH2+]C[C@H]1c1noc(-c2ccoc2)n1 ZINC000263187073 135337832 /nfs/dbraw/zinc/33/78/32/135337832.db2.gz HMZTVSOJPCFMHU-VIFPVBQESA-N 1 0 234.259 0.906 10 0 BCAERO Cc1ccc(CNC[C@H]2C[NH2+]C[C@@H]2O)cn1 ZINC000263182084 135337867 /nfs/dbraw/zinc/33/78/67/135337867.db2.gz GWMKLNWEEYYIMI-RYUDHWBXSA-N 1 0 221.304 0.060 10 0 BCAERO Cc1ccncc1CNC[C@H]1C[NH2+]C[C@H]1O ZINC000263219348 135339957 /nfs/dbraw/zinc/33/99/57/135339957.db2.gz LNIVJASKCUHBEM-NWDGAFQWSA-N 1 0 221.304 0.060 10 0 BCAERO CC(C)OCc1nc([C@@H]2C[NH2+]CCN2C)no1 ZINC000263211749 135340302 /nfs/dbraw/zinc/34/03/02/135340302.db2.gz KIKZPYLAANQYGT-VIFPVBQESA-N 1 0 240.307 0.571 10 0 BCAERO CN1CC[NH2+]C[C@H]1c1noc(-c2ccccn2)n1 ZINC000263238836 135341996 /nfs/dbraw/zinc/34/19/96/135341996.db2.gz OIBRKTVBYLXDAT-JTQLQIEISA-N 1 0 245.286 0.708 10 0 BCAERO O=C(NC[C@@H](O)C1CCCCC1)C1C[NH2+]C1 ZINC000263265561 135343346 /nfs/dbraw/zinc/34/33/46/135343346.db2.gz HGYVTPRGJSUBLS-LLVKDONJSA-N 1 0 226.320 0.263 10 0 BCAERO Cc1nccn1CCCCNC(=O)C1C[NH2+]C1 ZINC000263265353 135343381 /nfs/dbraw/zinc/34/33/81/135343381.db2.gz HEBIZYPNLHIHFV-UHFFFAOYSA-N 1 0 236.319 0.307 10 0 BCAERO O[C@H]1C[NH2+]C[C@H]1CNCc1ccc2c[nH]nc2c1 ZINC000263270645 135343558 /nfs/dbraw/zinc/34/35/58/135343558.db2.gz SCNCVMOTAPMGJJ-YPMHNXCESA-N 1 0 246.314 0.233 10 0 BCAERO CCC1(CC)[C@H](NC(=O)C2C[NH2+]C2)C[C@@H]1OC ZINC000263262557 135343628 /nfs/dbraw/zinc/34/36/28/135343628.db2.gz GSRFLLNMPMXOPI-MNOVXSKESA-N 1 0 240.347 0.916 10 0 BCAERO COc1ccc(CNC[C@@H]2C[NH2+]C[C@@H]2O)cc1 ZINC000263264735 135343826 /nfs/dbraw/zinc/34/38/26/135343826.db2.gz RKVQCSWSRZWVLF-YPMHNXCESA-N 1 0 236.315 0.365 10 0 BCAERO C[C@H](C[C@H](O)c1ccccc1)NC(=O)C1C[NH2+]C1 ZINC000263321322 135346930 /nfs/dbraw/zinc/34/69/30/135346930.db2.gz RMMOUQYQYWJPMO-MFKMUULPSA-N 1 0 248.326 0.834 10 0 BCAERO C[C@H]1CN(S(=O)(=O)CC2CCC2)C[C@@H]1[NH3+] ZINC000335587081 135416194 /nfs/dbraw/zinc/41/61/94/135416194.db2.gz ROMDAAHTXZZDKY-WPRPVWTQSA-N 1 0 232.349 0.395 10 0 BCAERO Cn1cc(NC(=O)[C@H]2CCC[C@H]2[NH3+])cn1 ZINC000082920690 135442354 /nfs/dbraw/zinc/44/23/54/135442354.db2.gz BTVPOWAJVQCXBY-DTWKUNHWSA-N 1 0 208.265 0.486 10 0 BCAERO Cn1ccnc1CNC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000085013086 135478235 /nfs/dbraw/zinc/47/82/35/135478235.db2.gz KLEVYSYAAVYGNF-RKDXNWHRSA-N 1 0 222.292 0.164 10 0 BCAERO Cn1cc(NC(=O)[C@H]2CCC[C@H]2[NH3+])ccc1=O ZINC000085366290 135482805 /nfs/dbraw/zinc/48/28/05/135482805.db2.gz JUNFDINCGOZLLI-VHSXEESVSA-N 1 0 235.287 0.451 10 0 BCAERO COc1cc(NC[C@H]([NH3+])C2CC2)ncn1 ZINC000085482394 135485521 /nfs/dbraw/zinc/48/55/21/135485521.db2.gz MUFXZYBALXSLDF-QMMMGPOBSA-N 1 0 208.265 0.634 10 0 BCAERO CN(CC1CCOCC1)C(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000091539782 135563222 /nfs/dbraw/zinc/56/32/22/135563222.db2.gz SCASRRTVPMJHFF-NWDGAFQWSA-N 1 0 240.347 0.999 10 0 BCAERO CN(CC1CCOCC1)C(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000091539778 135563511 /nfs/dbraw/zinc/56/35/11/135563511.db2.gz SCASRRTVPMJHFF-RYUDHWBXSA-N 1 0 240.347 0.999 10 0 BCAERO CC(C)OCC(=O)N1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000232682113 135666059 /nfs/dbraw/zinc/66/60/59/135666059.db2.gz BWJVIJFZJJPDLH-GHMZBOCLSA-N 1 0 228.336 0.997 10 0 BCAERO C[C@H](C[NH2+][C@H]1CCO[C@@H]1C)CS(C)(=O)=O ZINC000348122891 136032805 /nfs/dbraw/zinc/03/28/05/136032805.db2.gz XRYYVHTXWPXUAM-BBBLOLIVSA-N 1 0 235.349 0.434 10 0 BCAERO Cc1csc(=O)n1CC[NH2+][C@H]1CCO[C@H]1C ZINC000348190202 136048700 /nfs/dbraw/zinc/04/87/00/136048700.db2.gz QZYFZZMVWSMHQH-UWVGGRQHSA-N 1 0 242.344 0.985 10 0 BCAERO C[C@@H](C(F)(F)F)S(=O)(=O)N1CC[C@@H]([NH3+])C1 ZINC000335347699 136067212 /nfs/dbraw/zinc/06/72/12/136067212.db2.gz VMRFWUXNYWKPDI-NTSWFWBYSA-N 1 0 246.254 0.300 10 0 BCAERO Cc1ncccc1C[NH2+][C@H]1CCCNC1=O ZINC000335569261 136108698 /nfs/dbraw/zinc/10/86/98/136108698.db2.gz IGUUXTRNTUEXNK-NSHDSACASA-N 1 0 219.288 0.758 10 0 BCAERO C[C@@H]1C[C@@H](O)CN(C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000401671011 533673542 /nfs/dbraw/zinc/67/35/42/533673542.db2.gz VGNBTENSHZPZAI-RTXFEEFZSA-N 1 0 242.363 0.144 10 0 BCAERO C[NH2+][C@H](C)C(=O)N(CCC(=O)OC)CC(C)C ZINC000054075289 322855113 /nfs/dbraw/zinc/85/51/13/322855113.db2.gz VSNIBBXONZUKGX-SNVBAGLBSA-N 1 0 244.335 0.642 10 0 BCAERO CC(C)CN(CC(C)C)C(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000036199981 166949648 /nfs/dbraw/zinc/94/96/48/166949648.db2.gz UAYKLCHJOISWFG-NWDGAFQWSA-N 1 0 242.363 0.850 10 0 BCAERO [NH3+]C[C@@H]1CCCN1c1ncnc2c1CCC2 ZINC000061278192 322858459 /nfs/dbraw/zinc/85/84/59/322858459.db2.gz VMSALUIZONRCPS-VIFPVBQESA-N 1 0 218.304 0.893 10 0 BCAERO [NH3+]C[C@H]1CCCN1c1ncnc2c1CCC2 ZINC000061278191 322858495 /nfs/dbraw/zinc/85/84/95/322858495.db2.gz VMSALUIZONRCPS-SECBINFHSA-N 1 0 218.304 0.893 10 0 BCAERO CCOCC[N@@H+]1CCN(CCCO)C[C@@H]1CC ZINC000105914848 397786592 /nfs/dbraw/zinc/78/65/92/397786592.db2.gz AZPCPEZREVZAKE-ZDUSSCGKSA-N 1 0 244.379 0.802 10 0 BCAERO CC(C)[N@@H+]1CCO[C@H](c2nc[nH]n2)CC1 ZINC000616686383 397927332 /nfs/dbraw/zinc/92/73/32/397927332.db2.gz JBRIVBQOCVQYIS-VIFPVBQESA-N 1 0 210.281 0.977 10 0 BCAERO CC1CC(C(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)C1 ZINC000382246044 397927645 /nfs/dbraw/zinc/92/76/45/397927645.db2.gz TWMROCKMEJPDJF-QLEHZGMVSA-N 1 0 214.284 0.849 10 0 BCAERO CC(C)(C)[N@@H+]1CCO[C@H](C(N)=O)CC1 ZINC000616687291 397929895 /nfs/dbraw/zinc/92/98/95/397929895.db2.gz SDOIVDZMXGIBEL-QMMMGPOBSA-N 1 0 200.282 0.361 10 0 BCAERO CN(CC(F)F)C(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000158020927 397941674 /nfs/dbraw/zinc/94/16/74/397941674.db2.gz PZJPNPZFOUVICN-RNFRBKRXSA-N 1 0 206.236 0.837 10 0 BCAERO CN1CCC[C@H]1C[N@@H+]1CCSC[C@H]1CCO ZINC000649551190 397946352 /nfs/dbraw/zinc/94/63/52/397946352.db2.gz PPEKMOCKQMAXHQ-NWDGAFQWSA-N 1 0 244.404 0.880 10 0 BCAERO [NH3+][C@H]1CCC[C@@H](NC(=O)[C@H]2CCCO2)C1 ZINC000382461883 397951348 /nfs/dbraw/zinc/95/13/48/397951348.db2.gz WXDAUXCJFYUEDW-IVZWLZJFSA-N 1 0 212.293 0.552 10 0 BCAERO NC1(C(=O)NCCc2ccccc2)CC[NH2+]CC1 ZINC000168224942 397956685 /nfs/dbraw/zinc/95/66/85/397956685.db2.gz FWRQFWQSTXNTLU-UHFFFAOYSA-N 1 0 247.342 0.426 10 0 BCAERO COC(=O)[C@H]([NH3+])[C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000259501230 397901530 /nfs/dbraw/zinc/90/15/30/397901530.db2.gz ATTLKRBHQFKKPL-RYPBNFRJSA-N 1 0 201.266 0.690 10 0 BCAERO NC(=S)C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000070664052 397991177 /nfs/dbraw/zinc/99/11/77/397991177.db2.gz MUBBYCVTIYTGQI-VIFPVBQESA-N 1 0 214.334 0.773 10 0 BCAERO CC(C)CCCNC(=O)[C@H]1C[NH2+]CCOC1 ZINC000643634341 398031318 /nfs/dbraw/zinc/03/13/18/398031318.db2.gz CRXULIYAZIRQDA-NSHDSACASA-N 1 0 228.336 0.775 10 0 BCAERO CN(C)c1ncccc1O[C@H]1CC[NH2+]C1 ZINC000216655591 398092705 /nfs/dbraw/zinc/09/27/05/398092705.db2.gz JYCKQTIOKOPKPO-VIFPVBQESA-N 1 0 207.277 0.888 10 0 BCAERO O[C@H](CNCc1ccon1)C[NH+]1CCCCC1 ZINC000383745983 398068178 /nfs/dbraw/zinc/06/81/78/398068178.db2.gz JBOHBYSZJBUBBJ-GFCCVEGCSA-N 1 0 239.319 0.611 10 0 BCAERO COC[C@H](C)NC(=O)[C@@H]([NH3+])CC(F)F ZINC000389300636 398070190 /nfs/dbraw/zinc/07/01/90/398070190.db2.gz LWGMXZKOZFCTLS-WDSKDSINSA-N 1 0 210.224 0.120 10 0 BCAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N[C@@H]1CCC[C@H](O)C1 ZINC000384293208 398081288 /nfs/dbraw/zinc/08/12/88/398081288.db2.gz WNDJCBPMPZSAQC-USZNOCQGSA-N 1 0 240.347 0.794 10 0 BCAERO CCc1cc(=NC(=O)[C@@H]2CCC[NH2+][C@H]2C)[nH][nH]1 ZINC000384345785 398083158 /nfs/dbraw/zinc/08/31/58/398083158.db2.gz CUTHKKAWTUNYSV-WCBMZHEXSA-N 1 0 236.319 0.721 10 0 BCAERO Cc1nccc(CNC(=O)[C@H]2CCC[NH2+][C@H]2C)n1 ZINC000384365061 398083663 /nfs/dbraw/zinc/08/36/63/398083663.db2.gz GSEQIESMOGBGBL-CABZTGNLSA-N 1 0 248.330 0.789 10 0 BCAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N(C)Cc1ncc[nH]1 ZINC000384444906 398089710 /nfs/dbraw/zinc/08/97/10/398089710.db2.gz ZYOZNGLCZYDFOH-UWVGGRQHSA-N 1 0 236.319 0.756 10 0 BCAERO Cn1cc([C@@H]2CC[N@H+](CC(=O)NC3CC3)C2)cn1 ZINC000116321907 398090116 /nfs/dbraw/zinc/09/01/16/398090116.db2.gz FNPOXOHSNOCNIU-SNVBAGLBSA-N 1 0 248.330 0.488 10 0 BCAERO CSCCC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000116788538 398090205 /nfs/dbraw/zinc/09/02/05/398090205.db2.gz ZUSBVEFRGOKCCE-JTQLQIEISA-N 1 0 246.376 0.529 10 0 BCAERO CCCCC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000116785942 398090370 /nfs/dbraw/zinc/09/03/70/398090370.db2.gz CKJGDHUXOTVIAS-LLVKDONJSA-N 1 0 228.336 0.966 10 0 BCAERO [NH3+][C@H]1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000055085863 398052137 /nfs/dbraw/zinc/05/21/37/398052137.db2.gz PCAIEXYWDIHNSY-ZJUUUORDSA-N 1 0 212.293 0.363 10 0 BCAERO c1cnc(NCCCN2CC[NH2+]CC2)nc1 ZINC000035307861 398091968 /nfs/dbraw/zinc/09/19/68/398091968.db2.gz CTXLAXMEPPJXPQ-UHFFFAOYSA-N 1 0 221.308 0.184 10 0 BCAERO C[C@@H]1C[C@H](NC(=O)[C@@H]2CC[C@H]([NH3+])C2)[C@H](C)O1 ZINC000384559429 398096720 /nfs/dbraw/zinc/09/67/20/398096720.db2.gz HNHAJXUXBNZFFY-XXFSISAASA-N 1 0 226.320 0.796 10 0 BCAERO C[C@@H]1C[C@@H](O)C[N@H+](CCOC[C@H]2CCCO2)C1 ZINC000650328021 398114624 /nfs/dbraw/zinc/11/46/24/398114624.db2.gz AJHUGSKHFGHINN-JHJVBQTASA-N 1 0 243.347 0.885 10 0 BCAERO C[NH2+]CCOCCN(C)c1ncccc1F ZINC000630531269 398131753 /nfs/dbraw/zinc/13/17/53/398131753.db2.gz UJGOTGNOIHWLHP-UHFFFAOYSA-N 1 0 227.283 0.893 10 0 BCAERO COC(=O)[C@@H]1C[N@@H+](C(C)C)CCS1 ZINC000259853207 398131403 /nfs/dbraw/zinc/13/14/03/398131403.db2.gz ZTOPRUVGAMSOAG-QMMMGPOBSA-N 1 0 203.307 0.985 10 0 BCAERO CC(C)C[NH2+][C@]1(CO)CN2CCC1CC2 ZINC000038122241 167014543 /nfs/dbraw/zinc/01/45/43/167014543.db2.gz VMMYWQWNTFSTEQ-LBPRGKRZSA-N 1 0 212.337 0.689 10 0 BCAERO CC(C)COCC(=O)N1CCC[NH2+]CC1 ZINC000042354978 167022701 /nfs/dbraw/zinc/02/27/01/167022701.db2.gz FARLSNCVXRNHEK-UHFFFAOYSA-N 1 0 214.309 0.481 10 0 BCAERO CC(C)NC(=O)CN1CC[C@H](C)C[C@H]1C[NH3+] ZINC000082643393 167054339 /nfs/dbraw/zinc/05/43/39/167054339.db2.gz BGPFBHJMNGPLFW-QWRGUYRKSA-N 1 0 227.352 0.570 10 0 BCAERO CC(C)NC(=O)C[NH2+][C@@H](C)CN1CCCCC1 ZINC000049501749 167058083 /nfs/dbraw/zinc/05/80/83/167058083.db2.gz LXYQSKHIABMKLM-LBPRGKRZSA-N 1 0 241.379 0.975 10 0 BCAERO CC(C)NC(=O)CN[C@H](C)[C@H]1CCC[N@H+](C)C1 ZINC000036781498 167060339 /nfs/dbraw/zinc/06/03/39/167060339.db2.gz BJJFANGMLXAJSD-NEPJUHHUSA-N 1 0 241.379 0.831 10 0 BCAERO C[C@H](C[NH3+])N(C)c1ccnc2c1cnn2C ZINC000257740934 322873594 /nfs/dbraw/zinc/87/35/94/322873594.db2.gz BIOUYFAAFMRHHM-MRVPVSSYSA-N 1 0 219.292 0.752 10 0 BCAERO CC(C)[NH2+]CCN(C)CC(=O)NC1CC1 ZINC000043500968 167101890 /nfs/dbraw/zinc/10/18/90/167101890.db2.gz SZAVFGULHFKXFF-UHFFFAOYSA-N 1 0 213.325 0.195 10 0 BCAERO CC(C)[NH2+]CCN(C)C[C@@H]1CCOC1 ZINC000042691171 167102286 /nfs/dbraw/zinc/10/22/86/167102286.db2.gz CFGJITFUGSUOBB-NSHDSACASA-N 1 0 200.326 0.953 10 0 BCAERO CC(C)N[C@@](C)(C(N)=O)c1ccccn1 ZINC000037446533 167136528 /nfs/dbraw/zinc/13/65/28/167136528.db2.gz MJZDIFPTEBEWFN-LLVKDONJSA-N 1 0 207.277 0.780 10 0 BCAERO C[C@@H](C[NH3+])N(C)c1ncc(Cl)cn1 ZINC000125475960 175710111 /nfs/dbraw/zinc/71/01/11/175710111.db2.gz DCKMPXDSHYROMB-LURJTMIESA-N 1 0 200.673 0.913 10 0 BCAERO CCCCOC[C@@H](O)C[NH2+][C@@H](C)CCO ZINC000227895629 487562533 /nfs/dbraw/zinc/56/25/33/487562533.db2.gz LZJSAGCXSPPTEG-QWRGUYRKSA-N 1 0 219.325 0.525 10 0 BCAERO CCCCOC[C@@H](O)C[NH2+]C[C@@H](C)OC ZINC000227897556 487562573 /nfs/dbraw/zinc/56/25/73/487562573.db2.gz CQODSPAAOFUAAE-MNOVXSKESA-N 1 0 219.325 0.789 10 0 BCAERO CCCCOC[C@H](O)C[NH2+][C@H]1CCOC1 ZINC000227894633 487562589 /nfs/dbraw/zinc/56/25/89/487562589.db2.gz AYTLCCHRBOYCFO-WDEREUQCSA-N 1 0 217.309 0.543 10 0 BCAERO CCCCOC[C@H](O)C[NH2+][C@H](CC)CO ZINC000227888796 487562641 /nfs/dbraw/zinc/56/26/41/487562641.db2.gz RRIGOQAKPVZNQM-GHMZBOCLSA-N 1 0 219.325 0.525 10 0 BCAERO CCCCOC[C@@H](O)C[NH2+]CC1(CO)CC1 ZINC000227895090 487562644 /nfs/dbraw/zinc/56/26/44/487562644.db2.gz DLICAFDEOHAVAL-NSHDSACASA-N 1 0 231.336 0.526 10 0 BCAERO CCCCOC[C@@H](O)C[NH2+]CC(C)(C)CO ZINC000227895055 487562740 /nfs/dbraw/zinc/56/27/40/487562740.db2.gz UDASPURAXBTDDF-NSHDSACASA-N 1 0 233.352 0.772 10 0 BCAERO CCCCOC[C@H](O)C[NH2+]C[C@H]1CCOC1 ZINC000227889753 487562758 /nfs/dbraw/zinc/56/27/58/487562758.db2.gz YCULYVKETOZDGV-VXGBXAGGSA-N 1 0 231.336 0.790 10 0 BCAERO CC(C)OC(=O)CN1CCC[C@@H]([NH3+])C1 ZINC000041029812 167159842 /nfs/dbraw/zinc/15/98/42/167159842.db2.gz DUBSZCGLDFAJGH-SECBINFHSA-N 1 0 200.282 0.361 10 0 BCAERO [NH3+]C1(CC(=O)N[C@@H]2CCC[C@H](O)C2)CCC1 ZINC000086853320 487566525 /nfs/dbraw/zinc/56/65/25/487566525.db2.gz CFINGGMPBCMMES-ZJUUUORDSA-N 1 0 226.320 0.678 10 0 BCAERO CCOC(=O)C[N@@H+]1CCC[C@@H]1CCCO ZINC000052760829 487569284 /nfs/dbraw/zinc/56/92/84/487569284.db2.gz KXRMHXZBUJUGTM-SNVBAGLBSA-N 1 0 215.293 0.786 10 0 BCAERO COC(=O)C[N@@H+]1CCC[C@H]1CCCO ZINC000052760826 487569654 /nfs/dbraw/zinc/56/96/54/487569654.db2.gz JCYDPPFXBPUXPE-VIFPVBQESA-N 1 0 201.266 0.396 10 0 BCAERO CC(C)(C)[C@@H](O)CNC(=O)CCC[NH3+] ZINC000324297249 487570346 /nfs/dbraw/zinc/57/03/46/487570346.db2.gz BZMAHAIKJXTUSR-QMMMGPOBSA-N 1 0 202.298 0.249 10 0 BCAERO COc1cccnc1N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000082088593 487573497 /nfs/dbraw/zinc/57/34/97/487573497.db2.gz ZEROWSINOIDXPA-IUCAKERBSA-N 1 0 205.261 0.641 10 0 BCAERO CC(C)OCCCN1C[C@H](C[NH3+])CC1=O ZINC000019669428 167216128 /nfs/dbraw/zinc/21/61/28/167216128.db2.gz ZNAQXWKBMFZMSS-JTQLQIEISA-N 1 0 214.309 0.609 10 0 BCAERO CC(C)OCCCN1C[C@@H](C[NH3+])CC1=O ZINC000019669426 167216163 /nfs/dbraw/zinc/21/61/63/167216163.db2.gz ZNAQXWKBMFZMSS-SNVBAGLBSA-N 1 0 214.309 0.609 10 0 BCAERO CC(C)OC[C@@H](O)C[N@H+](C)C1CCN(C)CC1 ZINC000070192055 167258441 /nfs/dbraw/zinc/25/84/41/167258441.db2.gz KFWXNCUPHYMHPT-ZDUSSCGKSA-N 1 0 244.379 0.798 10 0 BCAERO COC[C@H]([NH3+])C(=O)NC[C@@H]1Cc2ccccc21 ZINC000159696458 487591073 /nfs/dbraw/zinc/59/10/73/487591073.db2.gz RVOKPGZNGCSEDT-JQWIXIFHSA-N 1 0 234.299 0.416 10 0 BCAERO CC(C)(C)[C@@H](O)CNC(=O)[C@@H]1CC[NH2+]C1 ZINC000324385229 487592405 /nfs/dbraw/zinc/59/24/05/487592405.db2.gz XOWOUMREKMDSKC-BDAKNGLRSA-N 1 0 214.309 0.119 10 0 BCAERO CC(C)S(=O)(=O)CCN1C[C@H](C[NH3+])C[C@@H]1C ZINC000228657359 167317650 /nfs/dbraw/zinc/31/76/50/167317650.db2.gz VBZTXGYQSWWLDT-QWRGUYRKSA-N 1 0 248.392 0.479 10 0 BCAERO CC(C)S(=O)(=O)NC[C@H]1CCC[NH2+]1 ZINC000053254485 167319420 /nfs/dbraw/zinc/31/94/20/167319420.db2.gz KIFNSVVHWWZQQH-MRVPVSSYSA-N 1 0 206.311 0.066 10 0 BCAERO CC(C)S(=O)(=O)N(C)[C@@H]1CCC[NH2+]C1 ZINC000037657324 167319470 /nfs/dbraw/zinc/31/94/70/167319470.db2.gz ZLVYNDVICNZXGF-SECBINFHSA-N 1 0 220.338 0.408 10 0 BCAERO CC(C)S(=O)(=O)N[C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000037657541 167319838 /nfs/dbraw/zinc/31/98/38/167319838.db2.gz DENWBPVPHZDIQK-ZJUUUORDSA-N 1 0 234.365 0.845 10 0 BCAERO CC(C)S(=O)(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000100446589 167319631 /nfs/dbraw/zinc/31/96/31/167319631.db2.gz PLLFTCPZXGTOCK-AOOOYVTPSA-N 1 0 234.365 0.832 10 0 BCAERO CC(C)S(=O)(=O)N1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC000037657315 167319722 /nfs/dbraw/zinc/31/97/22/167319722.db2.gz IDRQEFAVSHERPO-DTWKUNHWSA-N 1 0 218.322 0.018 10 0 BCAERO CC(C)S(=O)(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040740971 167319771 /nfs/dbraw/zinc/31/97/71/167319771.db2.gz LXANKNCEKIMPKA-ULKQDVFKSA-N 1 0 232.349 0.597 10 0 BCAERO CC(C)SCC[N@@H+]1CCC[C@](O)(C(N)=O)C1 ZINC000367488514 167325499 /nfs/dbraw/zinc/32/54/99/167325499.db2.gz CBOKCXTUIXLPRZ-LLVKDONJSA-N 1 0 246.376 0.440 10 0 BCAERO C[C@@H]([NH3+])CCNC(=O)c1c(Cl)cnn1C ZINC000662407587 409701474 /nfs/dbraw/zinc/70/14/74/409701474.db2.gz CKNJZTVGVYAHAU-ZCFIWIBFSA-N 1 0 230.699 0.541 10 0 BCAERO CC[C@H]([NH2+]C)C(=O)NCC[C@H]1CCCO1 ZINC000662372108 409678573 /nfs/dbraw/zinc/67/85/73/409678573.db2.gz TYBUZKAXCNJIJL-ZJUUUORDSA-N 1 0 214.309 0.670 10 0 BCAERO CC[C@H]([NH2+]C)C(=O)NCCn1cc(C)cn1 ZINC000662466782 409726261 /nfs/dbraw/zinc/72/62/61/409726261.db2.gz ZDYDUFORHPJOHY-JTQLQIEISA-N 1 0 224.308 0.306 10 0 BCAERO CN1CCC[C@H]1C[N@@H+]1CCC[C@H]1CCO ZINC000038952148 409726381 /nfs/dbraw/zinc/72/63/81/409726381.db2.gz IEOPWJKXIQLTTB-RYUDHWBXSA-N 1 0 212.337 0.927 10 0 BCAERO CCOCCCC(=O)N1CC[C@@H]([NH3+])[C@H]1C ZINC000308808253 409906284 /nfs/dbraw/zinc/90/62/84/409906284.db2.gz BLGYGMKTNQZIEQ-NXEZZACHSA-N 1 0 214.309 0.751 10 0 BCAERO CC(C)(C)[C@H](O)C[NH2+]C[C@@H](O)C(F)(F)F ZINC000308841376 409917094 /nfs/dbraw/zinc/91/70/94/409917094.db2.gz YYYHEGSAPDLGAW-RNFRBKRXSA-N 1 0 229.242 0.906 10 0 BCAERO O=C(C[C@@H]1C=CCC1)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000653138809 409861263 /nfs/dbraw/zinc/86/12/63/409861263.db2.gz KLWLLMGMPBKNEZ-MXWKQRLJSA-N 1 0 224.304 0.039 10 0 BCAERO O=C(CC[C@H]1CCC[NH2+]1)N[C@H](CO)C1CCC1 ZINC000662855172 409955148 /nfs/dbraw/zinc/95/51/48/409955148.db2.gz VVJABVGOBSXMBU-VXGBXAGGSA-N 1 0 240.347 0.796 10 0 BCAERO O=C(N[C@H]1CC=CCC1)[C@H]1C[NH2+]CCOC1 ZINC000653174485 410150129 /nfs/dbraw/zinc/15/01/29/410150129.db2.gz MIYGUBACIYPYAB-QWRGUYRKSA-N 1 0 224.304 0.447 10 0 BCAERO Cc1nnc2c(NCC34CC(C3)C[NH2+]4)nccn12 ZINC000663273790 410091263 /nfs/dbraw/zinc/09/12/63/410091263.db2.gz ISUGBVUNVPLNSD-UHFFFAOYSA-N 1 0 244.302 0.597 10 0 BCAERO C[NH2+]C[C@H](C)Nc1nccn2cnnc12 ZINC000663280444 410096125 /nfs/dbraw/zinc/09/61/25/410096125.db2.gz ZXUJIVKCOWTPLB-ZETCQYMHSA-N 1 0 206.253 0.144 10 0 BCAERO CC(C)(C[NH3+])C(=O)NCC[C@@H]1CCCO1 ZINC000044752347 410201930 /nfs/dbraw/zinc/20/19/30/410201930.db2.gz MXVSZYJQUMDROJ-VIFPVBQESA-N 1 0 214.309 0.657 10 0 BCAERO C[C@H](O)C[NH2+]Cc1cnc2ccnn2c1 ZINC000309136853 410260090 /nfs/dbraw/zinc/26/00/90/410260090.db2.gz SFSAGGQFNJCCEG-QMMMGPOBSA-N 1 0 206.249 0.200 10 0 BCAERO C[NH2+][C@H](C)C(=O)N1CCO[C@H](C(F)(F)F)C1 ZINC000655438233 410260355 /nfs/dbraw/zinc/26/03/55/410260355.db2.gz WMPNFEQBMBJJJX-RQJHMYQMSA-N 1 0 240.225 0.384 10 0 BCAERO CC(C)OC[C@H](O)C[NH2+]CCCn1ccnn1 ZINC000126965258 410326327 /nfs/dbraw/zinc/32/63/27/410326327.db2.gz AEXYHSPNMJMJIV-LLVKDONJSA-N 1 0 242.323 0.044 10 0 BCAERO C[C@H](CNC(=O)[C@H]1C[C@H](F)C[NH2+]1)C1CC1 ZINC000393211617 410312704 /nfs/dbraw/zinc/31/27/04/410312704.db2.gz MHWWNRCZPMSSGS-FKTZTGRPSA-N 1 0 214.284 0.849 10 0 BCAERO CCN(CC)C(=O)C1=NO[C@]2(CC[NH2+]C2)C1 ZINC000096088773 169745374 /nfs/dbraw/zinc/74/53/74/169745374.db2.gz BFHQHRFURQSXFA-LLVKDONJSA-N 1 0 225.292 0.363 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)N(C)Cc1cn[nH]c1 ZINC000129077338 410367680 /nfs/dbraw/zinc/36/76/80/410367680.db2.gz TUYKRIAZOYLEQH-SNVBAGLBSA-N 1 0 224.308 0.742 10 0 BCAERO C[C@H]1[C@@H](O)CCC[N@@H+]1CC(=O)NC(C)(C)C ZINC000335598199 410451353 /nfs/dbraw/zinc/45/13/53/410451353.db2.gz VLXQLMZKGHVWFL-UWVGGRQHSA-N 1 0 228.336 0.746 10 0 BCAERO CC(C)(C)NC(=O)C[NH2+]CC1CCOCC1 ZINC000082544617 166615898 /nfs/dbraw/zinc/61/58/98/166615898.db2.gz CLGJXBHJNXTFDN-UHFFFAOYSA-N 1 0 228.336 0.917 10 0 BCAERO CC(C)(C)OC(=O)N[C@@H]1CO[C@H]2C[NH2+]C[C@@H]21 ZINC000091690963 166667306 /nfs/dbraw/zinc/66/73/06/166667306.db2.gz DXQODYVKRDPTKR-HLTSFMKQSA-N 1 0 228.292 0.498 10 0 BCAERO C[C@@H]1C[NH+](CC[C@H]2CCNC2=O)C[C@@H](C)O1 ZINC000313879182 410712112 /nfs/dbraw/zinc/71/21/12/410712112.db2.gz GKYVRKKJAVMYRD-GMTAPVOTSA-N 1 0 226.320 0.622 10 0 BCAERO COCC1(CNC(=O)[C@@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000655490009 410802806 /nfs/dbraw/zinc/80/28/06/410802806.db2.gz DDQQSAVAWSJBDH-GHMZBOCLSA-N 1 0 240.347 0.917 10 0 BCAERO COCC1(CNC(=O)[C@H]2CC[C@H]([NH3+])C2)CC1 ZINC000655490330 410807840 /nfs/dbraw/zinc/80/78/40/410807840.db2.gz ISOBUYIQGCQOAB-UWVGGRQHSA-N 1 0 226.320 0.657 10 0 BCAERO C[C@@H]1SCC[C@@H]1NC(=O)[C@H]1CCC[NH2+]C1 ZINC000308909407 410814747 /nfs/dbraw/zinc/81/47/47/410814747.db2.gz FOUDGWXLHJODOQ-GUBZILKMSA-N 1 0 228.361 0.996 10 0 BCAERO O[C@@H]1CCC[C@H](C[N@@H+]2CCC[C@H](O)C2)C1 ZINC000308942695 410822655 /nfs/dbraw/zinc/82/26/55/410822655.db2.gz VICPFRHNHIISBY-TUAOUCFPSA-N 1 0 213.321 0.994 10 0 BCAERO C[C@@H]1CC[N@H+](C[C@H]2CCCN2C)[C@H]1CO ZINC000395313770 410845728 /nfs/dbraw/zinc/84/57/28/410845728.db2.gz BVIZQOOFNBUZOG-UTUOFQBUSA-N 1 0 212.337 0.783 10 0 BCAERO Cc1nnc(NCCC2(C[NH3+])CC2)nc1C ZINC000395919733 410868121 /nfs/dbraw/zinc/86/81/21/410868121.db2.gz WXVRAVADLWHWAR-UHFFFAOYSA-N 1 0 221.308 0.451 10 0 BCAERO CC(C)(C)[C@H]([NH3+])C(=O)N[C@H]1CCC[C@H](O)C1 ZINC000040462115 410874093 /nfs/dbraw/zinc/87/40/93/410874093.db2.gz WXTBQMUIAJLQBR-LPEHRKFASA-N 1 0 228.336 0.780 10 0 BCAERO CC(C)[C@H]([NH3+])C(=O)N[C@@H]1CCC[C@@H](O)C1 ZINC000040462105 410874428 /nfs/dbraw/zinc/87/44/28/410874428.db2.gz PUAXPBKHJVPPNI-BBBLOLIVSA-N 1 0 214.309 0.389 10 0 BCAERO CC(C)CNC(=O)Cc1nc(CC[NH3+])cs1 ZINC000019672966 166987304 /nfs/dbraw/zinc/98/73/04/166987304.db2.gz ZSRLSQGQADHFDD-UHFFFAOYSA-N 1 0 241.360 0.959 10 0 BCAERO CC(C)CNC(=S)N1CC[NH2+]CC1 ZINC000071508316 167000830 /nfs/dbraw/zinc/00/08/30/167000830.db2.gz ZQDLMCJKPBYHST-UHFFFAOYSA-N 1 0 201.339 0.422 10 0 BCAERO [NH3+][C@H]1CCCN(C(=O)c2ncccc2O)C1 ZINC000041028065 410904195 /nfs/dbraw/zinc/90/41/95/410904195.db2.gz IZLPRBJZHQMVNS-QMMMGPOBSA-N 1 0 221.260 0.351 10 0 BCAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)c2ccn[nH]2)C1 ZINC000246827619 167034346 /nfs/dbraw/zinc/03/43/46/167034346.db2.gz DRIXMKSZXUINFH-GXSJLCMTSA-N 1 0 236.319 0.868 10 0 BCAERO CC(C)NC(=O)CN(C)[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000042602127 167048638 /nfs/dbraw/zinc/04/86/38/167048638.db2.gz RIHTWPFLYAAAIY-VXGBXAGGSA-N 1 0 241.379 0.960 10 0 BCAERO CC(C)NC(=O)CN(C)c1cc(C[NH3+])ccn1 ZINC000042600161 167049513 /nfs/dbraw/zinc/04/95/13/167049513.db2.gz AICLFZUFURTIFI-UHFFFAOYSA-N 1 0 236.319 0.501 10 0 BCAERO CC(C)NC(=O)CNC(=O)[C@H]1[NH2+]CCC[C@@H]1C ZINC000051792877 167056429 /nfs/dbraw/zinc/05/64/29/167056429.db2.gz RTLGRFWGZJFLMU-ONGXEEELSA-N 1 0 241.335 0.015 10 0 BCAERO CC(C)NC(=O)CN[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000049565376 167058435 /nfs/dbraw/zinc/05/84/35/167058435.db2.gz AZHQXZRKYTVRPR-VXGBXAGGSA-N 1 0 239.363 0.727 10 0 BCAERO CC(C)NC(=O)C[NH2+]CC1CCOCC1 ZINC000052172133 167058563 /nfs/dbraw/zinc/05/85/63/167058563.db2.gz UOHCPPKEWNGDIH-UHFFFAOYSA-N 1 0 214.309 0.527 10 0 BCAERO CC(C)NC(=O)C[NH2+]C[C@@H](O)c1ccccc1 ZINC000035101984 167058745 /nfs/dbraw/zinc/05/87/45/167058745.db2.gz AEABDQZJEWFOHH-GFCCVEGCSA-N 1 0 236.315 0.834 10 0 BCAERO CC(C)NC(=O)C[NH2+][C@H]1CCCCC[C@H]1O ZINC000037892474 167061943 /nfs/dbraw/zinc/06/19/43/167061943.db2.gz LCMUEWDVPFENNY-WDEREUQCSA-N 1 0 228.336 0.794 10 0 BCAERO CC(C)NC(=O)N(C)C[C@H]1CC[N@H+](C)C1 ZINC000105062999 167066702 /nfs/dbraw/zinc/06/67/02/167066702.db2.gz IYWQZIHITZXHSS-JTQLQIEISA-N 1 0 213.325 0.988 10 0 BCAERO CC(C)NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000136082720 167069333 /nfs/dbraw/zinc/06/93/33/167069333.db2.gz MIGDEHQQQGBOGW-SNVBAGLBSA-N 1 0 211.309 0.884 10 0 BCAERO CC(C)NC(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040740844 167072215 /nfs/dbraw/zinc/07/22/15/167072215.db2.gz HEWNVWCWKJYSJQ-ULKQDVFKSA-N 1 0 211.309 0.977 10 0 BCAERO CC(C)NC(=O)[C@H]1CCCN1C1CC[NH2+]CC1 ZINC000038042811 167084039 /nfs/dbraw/zinc/08/40/39/167084039.db2.gz ZWAGVMFOGMHUDF-GFCCVEGCSA-N 1 0 239.363 0.727 10 0 BCAERO CC(C)NC1(C(N)=O)CC[NH+](C(C)C)CC1 ZINC000037869220 167093222 /nfs/dbraw/zinc/09/32/22/167093222.db2.gz HWGVXJSILDINQV-UHFFFAOYSA-N 1 0 227.352 0.713 10 0 BCAERO CC(C)[NH2+]C1CCN(C(N)=S)CC1 ZINC000039124922 167095187 /nfs/dbraw/zinc/09/51/87/167095187.db2.gz MYTBLZLLKGNIEV-UHFFFAOYSA-N 1 0 201.339 0.692 10 0 BCAERO CC(C)[NH2+]CC(=O)N1CCC(CO)CC1 ZINC000037477106 167095740 /nfs/dbraw/zinc/09/57/40/167095740.db2.gz IVBBVTZKFLHSIA-UHFFFAOYSA-N 1 0 214.309 0.215 10 0 BCAERO CC(C)[NH2+]CC(=O)N[C@@H](CO)c1ccccc1 ZINC000063003804 167097647 /nfs/dbraw/zinc/09/76/47/167097647.db2.gz GEOGMTJHALJNMW-LBPRGKRZSA-N 1 0 236.315 0.834 10 0 BCAERO CC(C)[NH2+]CC(=O)NC1CCC(O)CC1 ZINC000037477068 167098328 /nfs/dbraw/zinc/09/83/28/167098328.db2.gz CXNDPTISHHJDEB-UHFFFAOYSA-N 1 0 214.309 0.404 10 0 BCAERO CC(C)[NH2+]CCN(C)CC(=O)N(C)C ZINC000043500944 167101502 /nfs/dbraw/zinc/10/15/02/167101502.db2.gz WWAOXWNQVAFNCZ-UHFFFAOYSA-N 1 0 201.314 0.004 10 0 BCAERO CC(C)[NH2+]CCN(C)C[C@H]1CCOC1 ZINC000042691172 167102047 /nfs/dbraw/zinc/10/20/47/167102047.db2.gz CFGJITFUGSUOBB-LLVKDONJSA-N 1 0 200.326 0.953 10 0 BCAERO CC(C)[NH2+]CCN1CCC(CC(N)=O)CC1 ZINC000044413069 167104445 /nfs/dbraw/zinc/10/44/45/167104445.db2.gz SYMOGJNYBCAMPL-UHFFFAOYSA-N 1 0 227.352 0.572 10 0 BCAERO CC(C)[NH2+]C[C@@H](O)COc1ccncc1 ZINC000095560250 167110465 /nfs/dbraw/zinc/11/04/65/167110465.db2.gz DUGVYNWQMLQORK-SNVBAGLBSA-N 1 0 210.277 0.819 10 0 BCAERO CC(C)[NH2+]C[C@@H](C)N1CCS(=O)CC1 ZINC000052516088 167110749 /nfs/dbraw/zinc/11/07/49/167110749.db2.gz HPNDEATWPNQQHJ-SNVBAGLBSA-N 1 0 218.366 0.437 10 0 BCAERO CC(C)[NH2+]C[C@@H](O)c1ccc(O)c(CO)c1 ZINC000026015647 167110870 /nfs/dbraw/zinc/11/08/70/167110870.db2.gz NUXIPOBJYISIHW-GFCCVEGCSA-N 1 0 225.288 0.916 10 0 BCAERO CC(C)[NH2+]C[C@H]1CCCN(c2nnnn2C)C1 ZINC000062939686 167115638 /nfs/dbraw/zinc/11/56/38/167115638.db2.gz IQELFXFHEUUNKS-SNVBAGLBSA-N 1 0 238.339 0.425 10 0 BCAERO CC(C)OC(=O)CN1CCC[C@H]([NH3+])C1 ZINC000041029811 167158409 /nfs/dbraw/zinc/15/84/09/167158409.db2.gz DUBSZCGLDFAJGH-VIFPVBQESA-N 1 0 200.282 0.361 10 0 BCAERO CC(C)N[C@H](CC[N@H+](C)[C@@H](C)C1CC1)C(N)=O ZINC000062449493 167138604 /nfs/dbraw/zinc/13/86/04/167138604.db2.gz QYZTWMDOIIMSRT-CMPLNLGQSA-N 1 0 241.379 0.959 10 0 BCAERO CC(C)[NH2+][C@]1(C(N)=O)CCCSC1 ZINC000061590409 167142189 /nfs/dbraw/zinc/14/21/89/167142189.db2.gz DWSXARMKIJMOGZ-SECBINFHSA-N 1 0 202.323 0.736 10 0 BCAERO CC(C)OC(=O)N1CCN(CC[NH+](C)C)CC1 ZINC000022041837 167163675 /nfs/dbraw/zinc/16/36/75/167163675.db2.gz HUGDJEHTCPGXDR-UHFFFAOYSA-N 1 0 243.351 0.711 10 0 BCAERO CC(C)[C@@H](C)N(C)C(=O)[C@@H]1C[NH2+]CCO1 ZINC000043708121 167365353 /nfs/dbraw/zinc/36/53/53/167365353.db2.gz XGSMHJBTBHJHRE-ZJUUUORDSA-N 1 0 214.309 0.478 10 0 BCAERO COC[C@@H](NC(=O)C[C@@H]([NH3+])C(C)C)C1CC1 ZINC000397345270 410920104 /nfs/dbraw/zinc/92/01/04/410920104.db2.gz XSEGERWWHXDXEI-GHMZBOCLSA-N 1 0 228.336 0.901 10 0 BCAERO COC[C@H](NC(=O)C[C@@H]([NH3+])C(C)C)C1CC1 ZINC000397345272 410920960 /nfs/dbraw/zinc/92/09/60/410920960.db2.gz XSEGERWWHXDXEI-MNOVXSKESA-N 1 0 228.336 0.901 10 0 BCAERO COC[C@H](NC(=O)[C@H]1CCC[C@@H]1C[NH3+])C1CC1 ZINC000397445697 410923528 /nfs/dbraw/zinc/92/35/28/410923528.db2.gz JYXSFGUDLOPKIW-WOPDTQHZSA-N 1 0 240.347 0.903 10 0 BCAERO O=C(c1nc[nH]n1)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000104336897 410932207 /nfs/dbraw/zinc/93/22/07/410932207.db2.gz MTSCFDXGNPIWCE-ZJUUUORDSA-N 1 0 249.318 0.409 10 0 BCAERO CCO[C@H](CC)C(=O)NC[C@@H]1CC[NH2+]C1 ZINC000309491082 410949809 /nfs/dbraw/zinc/94/98/09/410949809.db2.gz IPUXAMBZKSXZCI-NXEZZACHSA-N 1 0 214.309 0.527 10 0 BCAERO CC[C@H](C(N)=O)[N@@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000398719127 410982352 /nfs/dbraw/zinc/98/23/52/410982352.db2.gz GXSZZKDCJMSIBZ-XWLWVQCSSA-N 1 0 226.320 0.343 10 0 BCAERO C[C@H](CO)C[N@@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000398738207 410984794 /nfs/dbraw/zinc/98/47/94/410984794.db2.gz FJFIHOUFSNOBPC-BJDJZHNGSA-N 1 0 213.321 0.708 10 0 BCAERO CO[C@H](C[NH2+]C[C@@H]1CN(C)CCO1)C1CC1 ZINC000382171172 410994383 /nfs/dbraw/zinc/99/43/83/410994383.db2.gz WKPUQOQCJYVDPZ-VXGBXAGGSA-N 1 0 228.336 0.332 10 0 BCAERO Cc1nocc1CNC1CC[NH+](CCO)CC1 ZINC000398973568 411003513 /nfs/dbraw/zinc/00/35/13/411003513.db2.gz BMIVJFAZZYBLSO-UHFFFAOYSA-N 1 0 239.319 0.529 10 0 BCAERO CN(C[C@H]1CCCO1)C(=O)[C@H]1CCCC[NH2+]1 ZINC000042465761 411007293 /nfs/dbraw/zinc/00/72/93/411007293.db2.gz YYICCSBGSHDSMX-GHMZBOCLSA-N 1 0 226.320 0.766 10 0 BCAERO C[C@H](O)CCNC(=O)[C@@H]([NH3+])C1CCC1 ZINC000399165643 411021354 /nfs/dbraw/zinc/02/13/54/411021354.db2.gz DVVIGVCAUXMWQG-CBAPKCEASA-N 1 0 200.282 0.001 10 0 BCAERO C[C@@H]([NH3+])CNc1ccnc2c1cnn2C ZINC000107197204 411132861 /nfs/dbraw/zinc/13/28/61/411132861.db2.gz VAUWGFZOLJUTNM-SSDOTTSWSA-N 1 0 205.265 0.727 10 0 BCAERO Cn1ccc(C[NH2+][C@H]2CCOC[C@H]2O)c1 ZINC000623767096 411163234 /nfs/dbraw/zinc/16/32/34/411163234.db2.gz PWJWWTBJGYADTJ-WDEREUQCSA-N 1 0 210.277 0.265 10 0 BCAERO CN1CCO[C@H](C[NH2+][C@@H]2COC3(CCC3)C2)C1 ZINC000657912110 411164952 /nfs/dbraw/zinc/16/49/52/411164952.db2.gz WSOPWLNOFWPGMJ-NWDGAFQWSA-N 1 0 240.347 0.618 10 0 BCAERO CC1(C)C[NH2+][C@@H]1C(=O)N[C@H]1CCCOC1 ZINC000309514839 411157541 /nfs/dbraw/zinc/15/75/41/411157541.db2.gz RAAIWRZXDNFZJO-DTWKUNHWSA-N 1 0 212.293 0.280 10 0 BCAERO [NH3+]CCCCC(=O)N[C@H]1CCC[C@H](O)C1 ZINC000069733222 411159121 /nfs/dbraw/zinc/15/91/21/411159121.db2.gz XKMODSFXNFETEF-UWVGGRQHSA-N 1 0 214.309 0.535 10 0 BCAERO C[C@@H](NC(=O)CCCC[NH3+])[C@H]1CCCO1 ZINC000069733062 411159299 /nfs/dbraw/zinc/15/92/99/411159299.db2.gz MAGCBYJTAQTPCZ-NXEZZACHSA-N 1 0 214.309 0.799 10 0 BCAERO NC(=O)[C@@]1(O)CCC[N@H+](CC2CC=CC2)C1 ZINC000660520062 411160785 /nfs/dbraw/zinc/16/07/85/411160785.db2.gz CHBQYKMVDLSIGH-GFCCVEGCSA-N 1 0 224.304 0.265 10 0 BCAERO NC(=O)[C@@]1(O)CCC[N@H+](CCCC2CCC2)C1 ZINC000660520847 411162274 /nfs/dbraw/zinc/16/22/74/411162274.db2.gz HZSXSBGEIMMREO-CYBMUJFWSA-N 1 0 240.347 0.879 10 0 BCAERO C[C@@H]1C[C@@H]1NC(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000309544835 411169020 /nfs/dbraw/zinc/16/90/20/411169020.db2.gz ZJNQZTFDQOXQCK-PRJMDXOYSA-N 1 0 218.247 0.756 10 0 BCAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)N1CCC(CCO)CC1 ZINC000401054586 411174695 /nfs/dbraw/zinc/17/46/95/411174695.db2.gz ZWPBHBBUVOOLFT-ZYHUDNBSSA-N 1 0 242.363 0.981 10 0 BCAERO C[C@H]1C[C@H](NC(=O)C2CCC([NH3+])CC2)CO1 ZINC000402037199 411192535 /nfs/dbraw/zinc/19/25/35/411192535.db2.gz GZWMSOUHHGBYSY-PMUOWJKOSA-N 1 0 226.320 0.798 10 0 BCAERO Cc1noc(CNC(=O)C[C@@H]([NH3+])C(C)C)n1 ZINC000128967493 411193638 /nfs/dbraw/zinc/19/36/38/411193638.db2.gz YPRHADDDCVZMDO-MRVPVSSYSA-N 1 0 226.280 0.368 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)N[C@H]1CCC[C@H](O)C1 ZINC000128943437 411194109 /nfs/dbraw/zinc/19/41/09/411194109.db2.gz ZCYISDUNWOQFKT-GARJFASQSA-N 1 0 228.336 0.780 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1CCCO1 ZINC000061882815 411194347 /nfs/dbraw/zinc/19/43/47/411194347.db2.gz LKPIJOGNVKPXHW-GUBZILKMSA-N 1 0 212.293 0.409 10 0 BCAERO C[NH2+][C@H](C)CNC(=O)CC1(COC)CC1 ZINC000401489676 411201095 /nfs/dbraw/zinc/20/10/95/411201095.db2.gz REGGOJHCZUIHRQ-SECBINFHSA-N 1 0 214.309 0.527 10 0 BCAERO CC(C)[C@@H]([NH3+])CC(=O)N[C@H]1CCCOC1 ZINC000129060740 411216776 /nfs/dbraw/zinc/21/67/76/411216776.db2.gz GANXEAHMYYEYPQ-UWVGGRQHSA-N 1 0 214.309 0.655 10 0 BCAERO C[C@@H](O)C[N@H+](C[C@@H]1CCCN1C)C1CC1 ZINC000653903337 411218398 /nfs/dbraw/zinc/21/83/98/411218398.db2.gz GUZRCHWOOOZGOZ-PWSUYJOCSA-N 1 0 212.337 0.926 10 0 BCAERO Cn1ncc2c1CCC[C@H]2[NH2+][C@@H]1CCNC1=O ZINC000658055146 411221769 /nfs/dbraw/zinc/22/17/69/411221769.db2.gz RVOBMZNPOKWYTP-NXEZZACHSA-N 1 0 234.303 0.276 10 0 BCAERO Cc1cnn(CCNC(=O)C(C)(C)[NH3+])c1 ZINC000235802633 411230464 /nfs/dbraw/zinc/23/04/64/411230464.db2.gz JVLLCTUXPJFVNN-UHFFFAOYSA-N 1 0 210.281 0.045 10 0 BCAERO Cc1nccn1CCNC(=O)C[C@H]([NH3+])C(C)C ZINC000310398440 411234814 /nfs/dbraw/zinc/23/48/14/411234814.db2.gz IJOPZRFTWXFBDJ-NSHDSACASA-N 1 0 238.335 0.681 10 0 BCAERO C[C@H](O)[C@@H]1CCC[N@@H+]([C@@H]2CCC[C@H]2O)C1 ZINC000660116691 411237720 /nfs/dbraw/zinc/23/77/20/411237720.db2.gz JRNFNHKVQHIRQJ-IRCOFANPSA-N 1 0 213.321 0.993 10 0 BCAERO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)c1nc[nH]n1)C2 ZINC000310443433 411238097 /nfs/dbraw/zinc/23/80/97/411238097.db2.gz TVQWSTKZWAGYBQ-KWQFWETISA-N 1 0 235.291 0.006 10 0 BCAERO CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(N)nc2)C1 ZINC000050708138 411264735 /nfs/dbraw/zinc/26/47/35/411264735.db2.gz CRGUYJLPJPKLNG-NSHDSACASA-N 1 0 248.330 0.878 10 0 BCAERO COC[C@H](C)NC(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000069792128 411266658 /nfs/dbraw/zinc/26/66/58/411266658.db2.gz JYYSWWPQMOCVRT-UWVGGRQHSA-N 1 0 226.320 0.527 10 0 BCAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)N(C)Cc1ncc[nH]1 ZINC000070645739 411271377 /nfs/dbraw/zinc/27/13/77/411271377.db2.gz GRZDCOZCZDTPDY-PSASIEDQSA-N 1 0 224.308 0.742 10 0 BCAERO CN(Cc1ncc[nH]1)C(=O)[C@H]1CCC[NH2+]C1 ZINC000070645692 411271586 /nfs/dbraw/zinc/27/15/86/411271586.db2.gz QVSJMJQUDJMFJU-VIFPVBQESA-N 1 0 222.292 0.368 10 0 BCAERO CC[C@H](C)[C@@H]([NH3+])C(=O)N(C)Cc1ncc[nH]1 ZINC000070645740 411271680 /nfs/dbraw/zinc/27/16/80/411271680.db2.gz GRZDCOZCZDTPDY-WCBMZHEXSA-N 1 0 224.308 0.742 10 0 BCAERO Nc1cc([C@H]2CC[N@H+](CCO)CCO2)ccn1 ZINC000616595071 411280150 /nfs/dbraw/zinc/28/01/50/411280150.db2.gz JNZQCTDDTWTFHX-LLVKDONJSA-N 1 0 237.303 0.420 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@@H]2C1 ZINC000379559725 411280259 /nfs/dbraw/zinc/28/02/59/411280259.db2.gz OZFXQIKDBPCUFT-UKKRHICBSA-N 1 0 208.305 0.840 10 0 BCAERO CC1(C(=O)N2CCC[C@@H](O)C2)CC[NH2+]CC1 ZINC000062839804 167864968 /nfs/dbraw/zinc/86/49/68/167864968.db2.gz AUYKAEKGMLKCQT-SNVBAGLBSA-N 1 0 226.320 0.359 10 0 BCAERO Nc1ccc([C@H]2CCOCCN2CC[NH3+])cn1 ZINC000616657706 411287234 /nfs/dbraw/zinc/28/72/34/411287234.db2.gz NHCXSQOGUMNOSD-LLVKDONJSA-N 1 0 236.319 0.386 10 0 BCAERO Nc1ccn([C@H]2CCCN(CC[NH3+])CC2)n1 ZINC000616629642 411287904 /nfs/dbraw/zinc/28/79/04/411287904.db2.gz STZMDBIJKUEPRO-JTQLQIEISA-N 1 0 223.324 0.451 10 0 BCAERO Cc1nnsc1C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000129468345 411289133 /nfs/dbraw/zinc/28/91/33/411289133.db2.gz CVQDSLOFJRMLJM-HTRCEHHLSA-N 1 0 240.332 0.717 10 0 BCAERO Cc1nnc2c(N[C@H]3CCC[C@H]([NH3+])C3)nccn12 ZINC000382457002 411290604 /nfs/dbraw/zinc/29/06/04/411290604.db2.gz KGRMVLIRHOHQBM-UWVGGRQHSA-N 1 0 246.318 0.536 10 0 BCAERO C[C@@H]1CN(C(=O)[C@H]2CCC[C@@H]2C[NH3+])C[C@H](C)O1 ZINC000129478320 411290669 /nfs/dbraw/zinc/29/06/69/411290669.db2.gz BQBQMDPTIQAAKI-KXNHARMFSA-N 1 0 240.347 0.997 10 0 BCAERO CCC[C@H]1C[C@H]1NC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000309854756 411295323 /nfs/dbraw/zinc/29/53/23/411295323.db2.gz ZYGMCHNTVRRMBY-FBDQPXRJSA-N 1 0 208.305 0.757 10 0 BCAERO COC[C@H](OC)C(=O)N(C)[C@@H]1CCC[NH2+]CC1 ZINC000659304915 411298069 /nfs/dbraw/zinc/29/80/69/411298069.db2.gz QPJKGGQWFWUMNQ-MNOVXSKESA-N 1 0 244.335 0.248 10 0 BCAERO C[C@H]([NH2+]C[C@@H]1CC(=O)N(C)C1)[C@H]1CCCO1 ZINC000658239296 411308312 /nfs/dbraw/zinc/30/83/12/411308312.db2.gz MBURXOKBEIXFBC-GARJFASQSA-N 1 0 226.320 0.622 10 0 BCAERO [NH3+]C1(CNc2ccc3nncn3n2)CCCC1 ZINC000656610685 411308679 /nfs/dbraw/zinc/30/86/79/411308679.db2.gz OGLUNLSIVYSOKE-UHFFFAOYSA-N 1 0 232.291 0.808 10 0 BCAERO CN1C[C@@H](C[NH2+][C@@H]2CCOC2(C)C)CC1=O ZINC000658241196 411309197 /nfs/dbraw/zinc/30/91/97/411309197.db2.gz MCNZYXUCGARPFD-NXEZZACHSA-N 1 0 226.320 0.622 10 0 BCAERO CN1C[C@H](C[NH2+][C@H]2CCOC2(C)C)CC1=O ZINC000658241198 411309231 /nfs/dbraw/zinc/30/92/31/411309231.db2.gz MCNZYXUCGARPFD-UWVGGRQHSA-N 1 0 226.320 0.622 10 0 BCAERO [NH3+]CC12CC(C1)CN2c1ccc2nccnc2n1 ZINC000656611130 411309658 /nfs/dbraw/zinc/30/96/58/411309658.db2.gz WAVNICDNZXHGRH-UHFFFAOYSA-N 1 0 241.298 0.952 10 0 BCAERO CCOc1nccnc1N1CC2CC1(C[NH3+])C2 ZINC000656611184 411310018 /nfs/dbraw/zinc/31/00/18/411310018.db2.gz ZVJIKABVPWAYBD-UHFFFAOYSA-N 1 0 234.303 0.803 10 0 BCAERO CC(C)[C@@H]([NH3+])CC(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000128852753 411248769 /nfs/dbraw/zinc/24/87/69/411248769.db2.gz SPYSZMHCVASWJJ-MXWKQRLJSA-N 1 0 228.336 0.996 10 0 BCAERO C[C@@H]1C[NH+](CCn2cccn2)C[C@@H](C)O1 ZINC000049982595 411249985 /nfs/dbraw/zinc/24/99/85/411249985.db2.gz HLMUOEWURKNMOR-GHMZBOCLSA-N 1 0 209.293 0.992 10 0 BCAERO CC(C)[C@@H]([NH3+])CC(=O)N1CCO[C@H](C)C1 ZINC000128853982 411253343 /nfs/dbraw/zinc/25/33/43/411253343.db2.gz WTWQRWOLZIGXBU-ZJUUUORDSA-N 1 0 214.309 0.607 10 0 BCAERO CCC(C)(C)NC(=O)Cn1cc(C[NH3+])nn1 ZINC000050224843 411254089 /nfs/dbraw/zinc/25/40/89/411254089.db2.gz LYRCAXLHFSPVLF-UHFFFAOYSA-N 1 0 225.296 0.042 10 0 BCAERO Cc1ccccc1NC(=O)Cn1cc(C[NH3+])nn1 ZINC000050224595 411254226 /nfs/dbraw/zinc/25/42/26/411254226.db2.gz KHECHTWEDPHLHO-UHFFFAOYSA-N 1 0 245.286 0.684 10 0 BCAERO CCCCc1noc(Cn2cc(C[NH3+])nn2)n1 ZINC000050224954 411254781 /nfs/dbraw/zinc/25/47/81/411254781.db2.gz FYUOJOMJZUYINW-UHFFFAOYSA-N 1 0 236.279 0.511 10 0 BCAERO O=C([C@@H]1C[C@H]2C[C@H]2C1)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000659323990 411351974 /nfs/dbraw/zinc/35/19/74/411351974.db2.gz FKQUEUSNYADEFL-KZZRWZIVSA-N 1 0 236.315 0.232 10 0 BCAERO C[NH2+][C@H](C)CNC(=O)CCc1cccnc1 ZINC000304234160 411355384 /nfs/dbraw/zinc/35/53/84/411355384.db2.gz BNPNOZJZKIMNMG-SNVBAGLBSA-N 1 0 221.304 0.738 10 0 BCAERO COc1c(CN(C)CC(C)(C)[NH3+])c(C)nn1C ZINC000656782397 411360094 /nfs/dbraw/zinc/36/00/94/411360094.db2.gz FUXWZOWEYQJQGJ-UHFFFAOYSA-N 1 0 240.351 0.906 10 0 BCAERO C[C@@H]1OCC[C@H]1NC(=O)[C@@H]1CCCC[NH2+]1 ZINC000125351108 411364560 /nfs/dbraw/zinc/36/45/60/411364560.db2.gz KBOOQURDBJJESM-AEJSXWLSSA-N 1 0 212.293 0.422 10 0 BCAERO C[NH+](C)[C@H]1CCN(Cc2cccnc2N)C1 ZINC000062969390 411334119 /nfs/dbraw/zinc/33/41/19/411334119.db2.gz OKNQLLTZNGVFDR-NSHDSACASA-N 1 0 220.320 0.800 10 0 BCAERO Cc1csc(CCNC(=O)[C@@H]2CC[NH2+]C2)n1 ZINC000063134943 411343035 /nfs/dbraw/zinc/34/30/35/411343035.db2.gz LHBGVSHPXRKECD-SECBINFHSA-N 1 0 239.344 0.720 10 0 BCAERO CC1([NH2+]CCN2CCNC2=O)CCCC1 ZINC000042187388 168062593 /nfs/dbraw/zinc/06/25/93/168062593.db2.gz MPYMFHYFXRGEPG-UHFFFAOYSA-N 1 0 211.309 0.934 10 0 BCAERO CC1=CC(=O)N([C@H]2CCCC[C@@H]2[NH3+])C1=O ZINC000041054493 168092327 /nfs/dbraw/zinc/09/23/27/168092327.db2.gz HEPBKYHZCDMJEC-IUCAKERBSA-N 1 0 208.261 0.571 10 0 BCAERO CC1=CC(=O)N(CCOC2CC[NH2+]CC2)C1=O ZINC000104383245 168092709 /nfs/dbraw/zinc/09/27/09/168092709.db2.gz RDVPKPWZAWJTCL-UHFFFAOYSA-N 1 0 238.287 0.070 10 0 BCAERO CC(C)([NH3+])c1cn([C@H]2CCC[C@H]2O)nn1 ZINC000069679449 411380811 /nfs/dbraw/zinc/38/08/11/411380811.db2.gz WSTKSWKDYVUPCS-JGVFFNPUSA-N 1 0 210.281 0.558 10 0 BCAERO CC1CC(=O)N([C@H]2CCC[NH2+]C2)C(=O)C1 ZINC000061828863 168139246 /nfs/dbraw/zinc/13/92/46/168139246.db2.gz RFRFYUFBQAJVBW-VIFPVBQESA-N 1 0 210.277 0.524 10 0 BCAERO CC1CC(=O)N([C@@H]2CCC[NH2+]C2)C(=O)C1 ZINC000061828862 168139278 /nfs/dbraw/zinc/13/92/78/168139278.db2.gz RFRFYUFBQAJVBW-SECBINFHSA-N 1 0 210.277 0.524 10 0 BCAERO C(C[N@@H+]1CC[C@H]2OCCN[C@H]2C1)[C@@H]1CCCO1 ZINC000404073097 411374486 /nfs/dbraw/zinc/37/44/86/411374486.db2.gz DJISPQJVVVTOOB-RWMBFGLXSA-N 1 0 240.347 0.618 10 0 BCAERO CCCC(=O)N1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC000404073369 411374499 /nfs/dbraw/zinc/37/44/99/411374499.db2.gz PTOYQCQTRAVNEC-ZJUUUORDSA-N 1 0 212.293 0.376 10 0 BCAERO C(C[N@@H+]1CC[C@@H]2OCCN[C@@H]2C1)[C@@H]1CCCO1 ZINC000404073098 411374654 /nfs/dbraw/zinc/37/46/54/411374654.db2.gz DJISPQJVVVTOOB-XQQFMLRXSA-N 1 0 240.347 0.618 10 0 BCAERO CC1CCC(C[NH2+]C[C@@H](O)CO)CC1 ZINC000085246935 168154967 /nfs/dbraw/zinc/15/49/67/168154967.db2.gz TYBBWPOYFLUDMJ-VQXHTEKXSA-N 1 0 201.310 0.756 10 0 BCAERO CC1CCC(CNC(=O)[C@H]2C[NH2+]CCN2)CC1 ZINC000063147077 168155497 /nfs/dbraw/zinc/15/54/97/168155497.db2.gz YJIGRWAKMTXLFK-HTAVTVPLSA-N 1 0 239.363 0.490 10 0 BCAERO CC1CCC(CO)(NC(=O)C[NH3+])CC1 ZINC000053127315 168156683 /nfs/dbraw/zinc/15/66/83/168156683.db2.gz MRSBJKZIYXOOAM-UHFFFAOYSA-N 1 0 200.282 0.003 10 0 BCAERO CC1CCC(CO)([NH2+]C[C@H](O)CN(C)C)CC1 ZINC000053118275 168157242 /nfs/dbraw/zinc/15/72/42/168157242.db2.gz RIQRNTZJBDQJFL-CPCZMJQVSA-N 1 0 244.379 0.440 10 0 BCAERO [NH3+]C1(C(=O)NCCc2ccoc2)CCOCC1 ZINC000659360311 411376211 /nfs/dbraw/zinc/37/62/11/411376211.db2.gz GPAIWHGJQFCDDC-UHFFFAOYSA-N 1 0 238.287 0.446 10 0 BCAERO CC1CCN(S(=O)(=O)C[C@@H]2CCC[NH2+]2)CC1 ZINC000049631809 168183757 /nfs/dbraw/zinc/18/37/57/168183757.db2.gz AYWCRYSNWJNJHU-NSHDSACASA-N 1 0 246.376 0.800 10 0 BCAERO CC1CCN(S(=O)(=O)CCCC[NH3+])CC1 ZINC000020180124 168184498 /nfs/dbraw/zinc/18/44/98/168184498.db2.gz JLYKMSXQHFNWKR-UHFFFAOYSA-N 1 0 234.365 0.787 10 0 BCAERO CC1CCN(S(=O)(=O)C[C@H]2CCC[NH2+]2)CC1 ZINC000049631810 168184623 /nfs/dbraw/zinc/18/46/23/168184623.db2.gz AYWCRYSNWJNJHU-LLVKDONJSA-N 1 0 246.376 0.800 10 0 BCAERO CC1CC[NH+]([C@@H](CC[NH3+])C(=O)[O-])CC1 ZINC000077296884 168186398 /nfs/dbraw/zinc/18/63/98/168186398.db2.gz SJTXMXYNNJKIIT-VIFPVBQESA-N 1 0 200.282 0.520 10 0 BCAERO CCC(=O)N1CCN(C[C@@H](C)C[NH3+])CC1 ZINC000037038555 168221270 /nfs/dbraw/zinc/22/12/70/168221270.db2.gz KBEYLXZOHZTEPY-JTQLQIEISA-N 1 0 213.325 0.135 10 0 BCAERO [NH3+]CCN1CCC[C@@H](Nc2cc[nH]n2)CC1 ZINC000616602210 411383035 /nfs/dbraw/zinc/38/30/35/411383035.db2.gz UUPOCQHYCYNIPG-SNVBAGLBSA-N 1 0 223.324 0.635 10 0 BCAERO [NH3+]C1(C(=O)N[C@@H]2CCCOC2)CC2(CCC2)C1 ZINC000659256375 411383535 /nfs/dbraw/zinc/38/35/35/411383535.db2.gz MJACYVRJYXNLJV-SNVBAGLBSA-N 1 0 238.331 0.943 10 0 BCAERO [NH3+]C1(C(=O)N[C@H]2CCCOC2)CC2(CCC2)C1 ZINC000659256374 411384193 /nfs/dbraw/zinc/38/41/93/411384193.db2.gz MJACYVRJYXNLJV-JTQLQIEISA-N 1 0 238.331 0.943 10 0 BCAERO C[C@H]1OCC[C@H]1NC(=O)C1([NH3+])CC2(CCC2)C1 ZINC000659307617 411391793 /nfs/dbraw/zinc/39/17/93/411391793.db2.gz SOBMMCJJFUQLDR-NXEZZACHSA-N 1 0 238.331 0.942 10 0 BCAERO CCC(C)(C)NC(=O)[C@@H](C)N1CC[NH2+]C[C@@H]1C ZINC000054374435 168293939 /nfs/dbraw/zinc/29/39/39/168293939.db2.gz MGWDQHMAYUMGOM-WDEREUQCSA-N 1 0 241.379 0.973 10 0 BCAERO Cc1cnn(CCNC(=O)CCC2C[NH2+]C2)c1 ZINC000638277193 411460025 /nfs/dbraw/zinc/46/00/25/411460025.db2.gz KOFYQRLQMIGVKO-UHFFFAOYSA-N 1 0 236.319 0.307 10 0 BCAERO C[C@H]1OCC[C@@H]1NC(=O)C1([NH3+])CC2(CCC2)C1 ZINC000659307622 411392458 /nfs/dbraw/zinc/39/24/58/411392458.db2.gz SOBMMCJJFUQLDR-ZJUUUORDSA-N 1 0 238.331 0.942 10 0 BCAERO C[C@H]1[C@H]([NH3+])CCN1Cc1ccc(N)nc1 ZINC000309444117 411397055 /nfs/dbraw/zinc/39/70/55/411397055.db2.gz KXIBWAHXYKJKQP-WCBMZHEXSA-N 1 0 206.293 0.585 10 0 BCAERO O=C(NCCO[C@@H]1CC1(F)F)[C@@H]1CC[NH2+]C1 ZINC000659345623 411401168 /nfs/dbraw/zinc/40/11/68/411401168.db2.gz LZRJEGYOUIYAMN-HTQZYQBOSA-N 1 0 234.246 0.136 10 0 BCAERO CC(C)(F)CCNC(=O)C1([NH3+])CCOCC1 ZINC000659360030 411402718 /nfs/dbraw/zinc/40/27/18/411402718.db2.gz ZEFCVVREDMUXRS-UHFFFAOYSA-N 1 0 232.299 0.749 10 0 BCAERO C[NH2+][C@H](C)C(=O)NC[C@@]1(C)CC1(F)F ZINC000659361713 411403432 /nfs/dbraw/zinc/40/34/32/411403432.db2.gz MPEWEQIBNMMSAP-HTRCEHHLSA-N 1 0 206.236 0.756 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@H]1CCC[C@@H](C)O1 ZINC000659363078 411404363 /nfs/dbraw/zinc/40/43/63/411404363.db2.gz ZNPCIWPOTSTGGC-DDHJBXDOSA-N 1 0 240.347 0.916 10 0 BCAERO OCC[N@@H+]1CCCO[C@H](n2ccnc2)C1 ZINC000616648824 411411065 /nfs/dbraw/zinc/41/10/65/411411065.db2.gz DIQZVRKIICDBBR-JTQLQIEISA-N 1 0 211.265 0.096 10 0 BCAERO Nc1cc([C@H]2COCCN(CC[NH3+])C2)ccn1 ZINC000616663663 411412811 /nfs/dbraw/zinc/41/28/11/411412811.db2.gz MQZKNJRGUNNSOM-LLVKDONJSA-N 1 0 236.319 0.038 10 0 BCAERO CC[N@H+](C)C[C@@H](O)CN1CC(n2cccn2)C1 ZINC000653553351 411419731 /nfs/dbraw/zinc/41/97/31/411419731.db2.gz MAFMYJYRWKWVCX-GFCCVEGCSA-N 1 0 238.335 0.052 10 0 BCAERO COCCN(C)C[C@H](O)C[N@@H+]1C[C@H]2CCC[C@@H]21 ZINC000653584478 411425364 /nfs/dbraw/zinc/42/53/64/411425364.db2.gz YSCIIGOMTJKOEW-AGIUHOORSA-N 1 0 242.363 0.410 10 0 BCAERO C[C@]1(C(=O)N[C@H]2CCC[C@H](O)C2)CCC[NH2+]1 ZINC000070618865 411440985 /nfs/dbraw/zinc/44/09/85/411440985.db2.gz QCGOZPIZZIYOPI-JBLDHEPKSA-N 1 0 226.320 0.548 10 0 BCAERO CN(C[C@H]1CCCO1)C(=O)[C@]1(C)CCC[NH2+]1 ZINC000070619122 411441008 /nfs/dbraw/zinc/44/10/08/411441008.db2.gz UHHCADSUGZXDQO-PWSUYJOCSA-N 1 0 226.320 0.766 10 0 BCAERO CC(C)NC(=O)CNC(=O)C[C@@H]([NH3+])C(C)C ZINC000128912738 411447553 /nfs/dbraw/zinc/44/75/53/411447553.db2.gz AIPIVZMCJUGEJZ-SECBINFHSA-N 1 0 229.324 0.001 10 0 BCAERO C[C@H]1[C@H]([NH3+])CCN1C(=O)CC(F)(F)F ZINC000306461655 411448447 /nfs/dbraw/zinc/44/84/47/411448447.db2.gz DVEBSYVPPLQXPR-NTSWFWBYSA-N 1 0 210.199 0.887 10 0 BCAERO CCN(Cc1ccccc1)C(=O)[C@@H]1C[NH2+]CCN1 ZINC000062812695 169913361 /nfs/dbraw/zinc/91/33/61/169913361.db2.gz ZUVJBXYVBWKIEO-ZDUSSCGKSA-N 1 0 247.342 0.597 10 0 BCAERO CC(C)[NH2+]CCC(=O)N[C@@H]1CCCOC1 ZINC000071023810 411450808 /nfs/dbraw/zinc/45/08/08/411450808.db2.gz WLOWTQUXKIYNNN-SNVBAGLBSA-N 1 0 214.309 0.670 10 0 BCAERO CC[C@@H]1C[C@@H]([NH2+]C[C@@H]2CN(CC)CCO2)CO1 ZINC000657354197 411474002 /nfs/dbraw/zinc/47/40/02/411474002.db2.gz ZSAKCHPZUJLHKZ-JHJVBQTASA-N 1 0 242.363 0.864 10 0 BCAERO COC[C@H](C)NC(=O)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000407355224 411480755 /nfs/dbraw/zinc/48/07/55/411480755.db2.gz NYFXKFGKDSECGC-JMJZKYOTSA-N 1 0 226.320 0.668 10 0 BCAERO C[C@H](O)CCNC(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000407356354 411481078 /nfs/dbraw/zinc/48/10/78/411481078.db2.gz OKLVBOSATDFYFG-LSJOCFKGSA-N 1 0 226.320 0.404 10 0 BCAERO CCN(c1ccc(C(N)=O)cn1)[C@H]1CC[NH2+]C1 ZINC000071314427 169942556 /nfs/dbraw/zinc/94/25/56/169942556.db2.gz XYPKKFRWPPYSSR-JTQLQIEISA-N 1 0 234.303 0.369 10 0 BCAERO CC(=O)NCCN(C)C(=O)[C@]1(C)CCCC[NH2+]1 ZINC000308179273 411498558 /nfs/dbraw/zinc/49/85/58/411498558.db2.gz GMWVTYITLUOKGR-LBPRGKRZSA-N 1 0 241.335 0.113 10 0 BCAERO CC(=O)NCCN(C)C(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000308179272 411498654 /nfs/dbraw/zinc/49/86/54/411498654.db2.gz GMWVTYITLUOKGR-GFCCVEGCSA-N 1 0 241.335 0.113 10 0 BCAERO COc1cc(C[N@@H+]2CC[C@@H](CCO)C2)on1 ZINC000659953248 411509917 /nfs/dbraw/zinc/50/99/17/411509917.db2.gz NBAUKLSQMUVNGI-VIFPVBQESA-N 1 0 226.276 0.888 10 0 BCAERO CCN1CC[C@@H]([NH2+][C@H](C)Cn2cccn2)C1 ZINC000328209628 170013890 /nfs/dbraw/zinc/01/38/90/170013890.db2.gz UZBREHLBGKEYNO-VXGBXAGGSA-N 1 0 222.336 0.955 10 0 BCAERO CC[N@@H+]1CC[C@H](CNC(=O)c2cc(N)c[nH]2)C1 ZINC000037643547 170015807 /nfs/dbraw/zinc/01/58/07/170015807.db2.gz IFORVMDDRURLSW-SECBINFHSA-N 1 0 236.319 0.669 10 0 BCAERO CCN1C[C@H](C)[C@H]([NH2+][C@H](C)CC(=O)NC)C1 ZINC000336677228 170040058 /nfs/dbraw/zinc/04/00/58/170040058.db2.gz BLSMNUYOICGZGK-HBNTYKKESA-N 1 0 227.352 0.441 10 0 BCAERO CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2CCNC2=O)CCO1 ZINC000657524655 411542199 /nfs/dbraw/zinc/54/21/99/411542199.db2.gz MNEURKAYIXNYIC-MXWKQRLJSA-N 1 0 226.320 0.668 10 0 BCAERO O=C1NCC[C@H]1[NH2+]Cc1cccc(O)c1 ZINC000657524514 411542205 /nfs/dbraw/zinc/54/22/05/411542205.db2.gz ZIQGHWZAPDILQG-SNVBAGLBSA-N 1 0 206.245 0.370 10 0 BCAERO CCNC(=O)CN(C)c1ccc(F)cc1C[NH3+] ZINC000049727862 170055826 /nfs/dbraw/zinc/05/58/26/170055826.db2.gz RQLRCCHUBJNBCQ-UHFFFAOYSA-N 1 0 239.294 0.857 10 0 BCAERO CCNC(=O)CN(CC)CC[C@@H]1CCCC[NH2+]1 ZINC000042369471 170056541 /nfs/dbraw/zinc/05/65/41/170056541.db2.gz IAKQNTLEZYLFLH-LBPRGKRZSA-N 1 0 241.379 0.977 10 0 BCAERO CC(C)(C)n1cc(C[NH2+][C@@H]2CCNC2=O)cn1 ZINC000657525779 411542696 /nfs/dbraw/zinc/54/26/96/411542696.db2.gz VQDOWMCHJUEUJK-SNVBAGLBSA-N 1 0 236.319 0.616 10 0 BCAERO CCNC(=O)C[N@@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000116407533 170060690 /nfs/dbraw/zinc/06/06/90/170060690.db2.gz VXPSYOFPVJPZSA-SNVBAGLBSA-N 1 0 236.319 0.346 10 0 BCAERO CCNC(=O)CN1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040750359 170061357 /nfs/dbraw/zinc/06/13/57/170061357.db2.gz KLVJBJOOPVPXFA-PBINXNQUSA-N 1 0 211.309 0.077 10 0 BCAERO CCNC(=O)CN1CC[C@H](C)C[C@@H]1C[NH3+] ZINC000082643365 170061694 /nfs/dbraw/zinc/06/16/94/170061694.db2.gz KQEISMPGJOVVBC-VHSXEESVSA-N 1 0 213.325 0.182 10 0 BCAERO CC(C)n1cc(C[NH2+][C@@H]2CCNC2=O)cn1 ZINC000657526061 411542854 /nfs/dbraw/zinc/54/28/54/411542854.db2.gz YYSNAEXAHIMGJP-SNVBAGLBSA-N 1 0 222.292 0.442 10 0 BCAERO CCNC(=O)CNCC[NH+](C(C)C)C(C)C ZINC000020039347 170064508 /nfs/dbraw/zinc/06/45/08/170064508.db2.gz MXYWSIGEYJZAGR-UHFFFAOYSA-N 1 0 229.368 0.831 10 0 BCAERO CCNC(=O)CNc1[nH+]cc(N)cc1C ZINC000052812760 170067533 /nfs/dbraw/zinc/06/75/33/170067533.db2.gz SJALIVIPCWVGNL-UHFFFAOYSA-N 1 0 208.265 0.520 10 0 BCAERO CCNC(=O)[C@@H](C)NC(=O)C1CCC([NH3+])CC1 ZINC000037626338 170085812 /nfs/dbraw/zinc/08/58/12/170085812.db2.gz RPFCNGXVANSHSZ-XNWIYYODSA-N 1 0 241.335 0.145 10 0 BCAERO CCNC(=O)[C@@H](C)NC(=O)C1(C)CC[NH2+]CC1 ZINC000062839881 170086132 /nfs/dbraw/zinc/08/61/32/170086132.db2.gz CGHBJQXEDBZJRE-SECBINFHSA-N 1 0 241.335 0.017 10 0 BCAERO CCNC(=O)[C@H](C)NC(=[NH2+])NC1CCCCC1 ZINC000052048789 170093104 /nfs/dbraw/zinc/09/31/04/170093104.db2.gz OBIOFLDZJKGVSV-VIFPVBQESA-N 1 0 240.351 0.958 10 0 BCAERO CCNC(=O)[C@H](C)NC(=O)[C@H]1CC[C@H](C)[NH2+]C1 ZINC000049225252 170093860 /nfs/dbraw/zinc/09/38/60/170093860.db2.gz AABCRDPYJWCXRY-GUBZILKMSA-N 1 0 241.335 0.015 10 0 BCAERO CCNC(=O)c1cc(N2CCC[NH2+]CC2)ccn1 ZINC000035673794 170099967 /nfs/dbraw/zinc/09/99/67/170099967.db2.gz OMDDKOVETIBWAA-UHFFFAOYSA-N 1 0 248.330 0.631 10 0 BCAERO CCNC(=O)c1cc(N(C)C[C@@H](C)[NH3+])ccn1 ZINC000104318306 170100417 /nfs/dbraw/zinc/10/04/17/170100417.db2.gz NEWGLMREEYOFHI-SECBINFHSA-N 1 0 236.319 0.615 10 0 BCAERO CC[NH2+]C(C)(C)C(=O)N1CCC[C@H]1CO ZINC000061298976 170106000 /nfs/dbraw/zinc/10/60/00/170106000.db2.gz CNAXRPZUSGQOQV-VIFPVBQESA-N 1 0 214.309 0.358 10 0 BCAERO CC[NH2+]C(C)(C)C(=O)N1CCC(CO)CC1 ZINC000061288625 170106288 /nfs/dbraw/zinc/10/62/88/170106288.db2.gz KJXKSQHMESUXOA-UHFFFAOYSA-N 1 0 228.336 0.605 10 0 BCAERO CC[NH2+]C(C)(C)C(=O)N1CCCC[C@@H]1CO ZINC000061289492 170106581 /nfs/dbraw/zinc/10/65/81/170106581.db2.gz USMONTOKZBUDNG-SNVBAGLBSA-N 1 0 228.336 0.748 10 0 BCAERO CC[NH2+]C(C)(C)C(=O)Nc1ncccn1 ZINC000061288056 170107377 /nfs/dbraw/zinc/10/73/77/170107377.db2.gz MSTKEMWXWPXJHZ-UHFFFAOYSA-N 1 0 208.265 0.803 10 0 BCAERO CC[NH2+]C(C)(C)C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000061299447 170107538 /nfs/dbraw/zinc/10/75/38/170107538.db2.gz JKLLSKOWVYAYRU-ZJUUUORDSA-N 1 0 228.336 0.794 10 0 BCAERO CC[NH2+]C1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000037241216 170109316 /nfs/dbraw/zinc/10/93/16/170109316.db2.gz JDVCSXAIFKOKHP-NSHDSACASA-N 1 0 246.376 0.247 10 0 BCAERO CC[NH2+]C1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000037241214 170109690 /nfs/dbraw/zinc/10/96/90/170109690.db2.gz JDVCSXAIFKOKHP-LLVKDONJSA-N 1 0 246.376 0.247 10 0 BCAERO CC[NH2+]CC(=O)N1CCN2CCCC[C@@H]2C1 ZINC000044650277 170109835 /nfs/dbraw/zinc/10/98/35/170109835.db2.gz NSVDKHZQGLOQOC-LLVKDONJSA-N 1 0 225.336 0.293 10 0 BCAERO CC[NH2+]CC1(S(C)(=O)=O)CCCC1 ZINC000053737718 170110991 /nfs/dbraw/zinc/11/09/91/170110991.db2.gz KIESEUREHQHHSN-UHFFFAOYSA-N 1 0 205.323 0.953 10 0 BCAERO CC[NH2+]CCC(=O)N1C[C@H](C)OC[C@@H]1C ZINC000061289297 170111703 /nfs/dbraw/zinc/11/17/03/170111703.db2.gz LFFOGJDFVOIKDK-UWVGGRQHSA-N 1 0 214.309 0.622 10 0 BCAERO CC[NH2+]CCC(=O)N1CCO[C@H](C)C1 ZINC000061278555 170112156 /nfs/dbraw/zinc/11/21/56/170112156.db2.gz GIEBMIHYIQSTFM-SECBINFHSA-N 1 0 200.282 0.233 10 0 BCAERO CC[NH2+]CCCN(CC)S(C)(=O)=O ZINC000038035441 170112469 /nfs/dbraw/zinc/11/24/69/170112469.db2.gz PXOLWHNXVRJLQB-UHFFFAOYSA-N 1 0 208.327 0.268 10 0 BCAERO CC[NH2+]CCN(C)c1cc(C)nc2ncnn21 ZINC000053704995 170113581 /nfs/dbraw/zinc/11/35/81/170113581.db2.gz JJHNABCEWDXXRS-UHFFFAOYSA-N 1 0 234.307 0.478 10 0 BCAERO CC[NH2+]CCN1C(=O)CC(C)(C)CC1=O ZINC000061824981 170113784 /nfs/dbraw/zinc/11/37/84/170113784.db2.gz KFGSAERKNBUCQS-UHFFFAOYSA-N 1 0 212.293 0.771 10 0 BCAERO CC[NH2+]CCOc1nc2c(cc1C(N)=O)CCC2 ZINC000051869179 170116457 /nfs/dbraw/zinc/11/64/57/170116457.db2.gz MCYICLKCVLNFPG-UHFFFAOYSA-N 1 0 249.314 0.658 10 0 BCAERO CC[NH2+]CCNc1nccn2c(C)nnc12 ZINC000070616649 170116575 /nfs/dbraw/zinc/11/65/75/170116575.db2.gz LXKAYUGOTZWEPX-UHFFFAOYSA-N 1 0 220.280 0.454 10 0 BCAERO CC[NH2+]CCNc1nc2c(cc1C(N)=O)CCC2 ZINC000054267227 170116861 /nfs/dbraw/zinc/11/68/61/170116861.db2.gz PDQCVUQAEATJTB-UHFFFAOYSA-N 1 0 248.330 0.691 10 0 BCAERO CC[NH2+]CCc1nnc2ccc(C)nn21 ZINC000051784378 170117927 /nfs/dbraw/zinc/11/79/27/170117927.db2.gz SVXGTUUCSKOTTP-UHFFFAOYSA-N 1 0 205.265 0.585 10 0 BCAERO CC[NH2+]CCn1nnc2ccccc2c1=O ZINC000042410412 170118130 /nfs/dbraw/zinc/11/81/30/170118130.db2.gz MCYGOCZFVKNBTM-UHFFFAOYSA-N 1 0 218.260 0.401 10 0 BCAERO CC[NH2+]C[C@@H](C)C(=O)N(CC)CC(=O)N(C)C ZINC000061230217 170118239 /nfs/dbraw/zinc/11/82/39/170118239.db2.gz WLJBXJQVROHTCO-SNVBAGLBSA-N 1 0 243.351 0.169 10 0 BCAERO CC[NH2+]C[C@@H](C)C(=O)NCCCOCCOC ZINC000061267181 170118680 /nfs/dbraw/zinc/11/86/80/170118680.db2.gz WZXLJNQYBUZUHA-LLVKDONJSA-N 1 0 246.351 0.401 10 0 BCAERO CC[NH2+]C[C@H](C)C(=O)N(C)C[C@@H](C)C(=O)OC ZINC000061265899 170120934 /nfs/dbraw/zinc/12/09/34/170120934.db2.gz MHDOQJNQIKBINH-VHSXEESVSA-N 1 0 244.335 0.500 10 0 BCAERO CC[NH2+]C[C@H](C)C(=O)N1CCCO[C@@H](C)C1 ZINC000061920451 170121888 /nfs/dbraw/zinc/12/18/88/170121888.db2.gz NOYMRRVIMCZUQG-QWRGUYRKSA-N 1 0 228.336 0.869 10 0 BCAERO CC[NH2+]C[C@H](C)[C@@H]1CCS(=O)(=O)C1 ZINC000052950491 170122269 /nfs/dbraw/zinc/12/22/69/170122269.db2.gz VOYJCKCCDNBORN-DTWKUNHWSA-N 1 0 205.323 0.667 10 0 BCAERO CC[NH2+]C[C@H](O)COc1ccc2c(c1)OCO2 ZINC000033466588 170122274 /nfs/dbraw/zinc/12/22/74/170122274.db2.gz VDJPJCHKEICNKJ-VIFPVBQESA-N 1 0 239.271 0.765 10 0 BCAERO CC[NH2+]Cc1c(C)nn(C)c1N(CC)CCO ZINC000037900390 170124686 /nfs/dbraw/zinc/12/46/86/170124686.db2.gz RIUGCXZNGQSGPP-UHFFFAOYSA-N 1 0 240.351 0.657 10 0 BCAERO CC[NH2+]Cc1nnnn1-c1cccc(COC)c1 ZINC000054762443 170131684 /nfs/dbraw/zinc/13/16/84/170131684.db2.gz DZYAMEYAEOVADX-UHFFFAOYSA-N 1 0 247.302 0.918 10 0 BCAERO CC[NH2+][C@@H](C(N)=O)c1ccc(NC(C)=O)cc1 ZINC000037945544 170138328 /nfs/dbraw/zinc/13/83/28/170138328.db2.gz DAOPZKHKSVHPBY-LLVKDONJSA-N 1 0 235.287 0.781 10 0 BCAERO CC[NH2+][C@@H](C)CC(=O)N[C@H](C)Cn1ccnc1 ZINC000061270003 170139334 /nfs/dbraw/zinc/13/93/34/170139334.db2.gz WOFFEIYCGLEEQJ-WDEREUQCSA-N 1 0 238.335 0.776 10 0 BCAERO CC[NH2+][C@@H](C)CC(=O)N1CCNC(=O)[C@@H]1CC ZINC000104142646 170139454 /nfs/dbraw/zinc/13/94/54/170139454.db2.gz GSOSVCDGAOLVTR-UWVGGRQHSA-N 1 0 241.335 0.112 10 0 BCAERO CC[NH2+][C@@H](C)Cc1nnc2cc(C)ncn21 ZINC000061212812 170140251 /nfs/dbraw/zinc/14/02/51/170140251.db2.gz KLMHDMGMASOPJQ-QMMMGPOBSA-N 1 0 219.292 0.973 10 0 BCAERO CC[NH2+][C@@H](C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000043301159 170142656 /nfs/dbraw/zinc/14/26/56/170142656.db2.gz CMGVQUDYBFFBRH-ZJUUUORDSA-N 1 0 217.334 0.809 10 0 BCAERO CC[NH2+][C@@H](CCOC[C@H]1CCCCO1)C(N)=O ZINC000062544724 170144664 /nfs/dbraw/zinc/14/46/64/170144664.db2.gz CNLZDUVRQLIERQ-MNOVXSKESA-N 1 0 244.335 0.426 10 0 BCAERO CCN[C@@H](CC[NH+]1CCCCC1)C(N)=O ZINC000062441883 170145650 /nfs/dbraw/zinc/14/56/50/170145650.db2.gz GJHZRBCKZCRQDR-JTQLQIEISA-N 1 0 213.325 0.326 10 0 BCAERO CC[NH2+][C@@H]1CCC2(C[C@@H]1N(C)C)OCCO2 ZINC000043816100 170150435 /nfs/dbraw/zinc/15/04/35/170150435.db2.gz KMZDAHAGUNFWIN-MNOVXSKESA-N 1 0 228.336 0.822 10 0 BCAERO CC[NH2+][C@@H]1CCOC[C@@H]1n1nc(C)nc1C ZINC000044034595 170152785 /nfs/dbraw/zinc/15/27/85/170152785.db2.gz QUYRYFDWMVSSEF-MNOVXSKESA-N 1 0 224.308 0.834 10 0 BCAERO CC[NH2+][C@@H]1CCOC[C@H]1N1CCN(C)CC1 ZINC000043810898 170152809 /nfs/dbraw/zinc/15/28/09/170152809.db2.gz WXQRKOACXDAWHF-VXGBXAGGSA-N 1 0 227.352 0.001 10 0 BCAERO CC[NH2+][C@@H]1CCOC[C@H]1n1nc(C)nc1C ZINC000044034603 170153022 /nfs/dbraw/zinc/15/30/22/170153022.db2.gz QUYRYFDWMVSSEF-GHMZBOCLSA-N 1 0 224.308 0.834 10 0 BCAERO CC[NH2+][C@H](C(N)=O)c1ccc(C(=O)OC)cc1 ZINC000037945553 170156304 /nfs/dbraw/zinc/15/63/04/170156304.db2.gz VPUALOXVXSAJKU-JTQLQIEISA-N 1 0 236.271 0.609 10 0 BCAERO CC[NH2+][C@H](C)CN1CCn2ccnc2C1 ZINC000062250409 170156784 /nfs/dbraw/zinc/15/67/84/170156784.db2.gz KCWLUBGKUPGULT-SNVBAGLBSA-N 1 0 208.309 0.697 10 0 BCAERO CC[NH2+][C@H](C)CC(=O)N(C)CC(=O)NC1CC1 ZINC000061269761 170156819 /nfs/dbraw/zinc/15/68/19/170156819.db2.gz HECASZQBUXKJMK-SECBINFHSA-N 1 0 241.335 0.112 10 0 BCAERO CC[NH2+][C@H](C)CC(=O)N1CCSCC1 ZINC000061269290 170156831 /nfs/dbraw/zinc/15/68/31/170156831.db2.gz KWAZUYZIDZDNOV-SECBINFHSA-N 1 0 216.350 0.950 10 0 BCAERO CC[NH2+][C@H](C)CC(=O)N1CCOC[C@H]1C ZINC000061269682 170157060 /nfs/dbraw/zinc/15/70/60/170157060.db2.gz BTLQIQRBCMJZGJ-NXEZZACHSA-N 1 0 214.309 0.622 10 0 BCAERO CC[NH2+][C@H](C)CC(=O)N1CCN(C)CC1 ZINC000061268696 170157105 /nfs/dbraw/zinc/15/71/05/170157105.db2.gz VKPSNGCSGSACTL-SNVBAGLBSA-N 1 0 213.325 0.149 10 0 BCAERO CC[NH2+][C@H]1CCCC[C@H]1n1cc(CO)nn1 ZINC000348153335 170166667 /nfs/dbraw/zinc/16/66/67/170166667.db2.gz SLYWVEHPYUPOJY-WDEREUQCSA-N 1 0 224.308 0.864 10 0 BCAERO CC[NH2+][C@H]1CCN(C[C@@H]2CCCCO2)C1=O ZINC000042821707 170167766 /nfs/dbraw/zinc/16/77/66/170167766.db2.gz TUEXTTPJNHQJHN-QWRGUYRKSA-N 1 0 226.320 0.766 10 0 BCAERO CC[NH2+][C@H]1CCN(C[C@@H]2COCCO2)C1 ZINC000038062680 170168185 /nfs/dbraw/zinc/16/81/85/170168185.db2.gz WMHXCUDFOQGAKE-WDEREUQCSA-N 1 0 214.309 0.086 10 0 BCAERO CC[NH2+][C@H]1CCOC[C@H]1N1CCCOCC1 ZINC000061917893 170168950 /nfs/dbraw/zinc/16/89/50/170168950.db2.gz MQLIVUVPSGKWBU-NWDGAFQWSA-N 1 0 228.336 0.476 10 0 BCAERO CCOC(=O)C1(N2CC[NH2+]CC2)CCC1 ZINC000052140455 170190669 /nfs/dbraw/zinc/19/06/69/170190669.db2.gz DVFCCSSNRGEEDM-UHFFFAOYSA-N 1 0 212.293 0.377 10 0 BCAERO CCOC(=O)CCN1CCO[C@@H](C[NH+](C)C)C1 ZINC000105926177 170206411 /nfs/dbraw/zinc/20/64/11/170206411.db2.gz UYJDEFALFOLWSE-NSHDSACASA-N 1 0 244.335 0.202 10 0 BCAERO CCOC(=O)CC[N@@H+]1C[C@H](OC)C[C@@H]1CO ZINC000344734781 170207556 /nfs/dbraw/zinc/20/75/56/170207556.db2.gz XLTJHVKUYVRJGP-NXEZZACHSA-N 1 0 231.292 0.021 10 0 BCAERO CCOC(=O)CNC(=O)NCC[NH+](CC)CC ZINC000035082387 170223307 /nfs/dbraw/zinc/22/33/07/170223307.db2.gz HGPMCMKRQLDCQL-UHFFFAOYSA-N 1 0 245.323 0.191 10 0 BCAERO O[C@H](C[NH2+][C@@H]1CCOC1)COCc1ccco1 ZINC000131535863 411556682 /nfs/dbraw/zinc/55/66/82/411556682.db2.gz LYGKQLFNJWCQMQ-GHMZBOCLSA-N 1 0 241.287 0.536 10 0 BCAERO CCOC(=O)N1CC[C@H]([NH3+])[C@H](OC)C1 ZINC000002576264 170239934 /nfs/dbraw/zinc/23/99/34/170239934.db2.gz FIIGTSPAEONQHZ-JGVFFNPUSA-N 1 0 202.254 0.191 10 0 BCAERO CCOC(=O)N1CCN(CC[NH+](C)C)CC1 ZINC000022041807 170240257 /nfs/dbraw/zinc/24/02/57/170240257.db2.gz XOQJIYIKFNFTEA-UHFFFAOYSA-N 1 0 229.324 0.322 10 0 BCAERO CCOC(=O)[C@@H](N)CC[N@H+](CC)C(C)C ZINC000062446005 170252271 /nfs/dbraw/zinc/25/22/71/170252271.db2.gz JMIWXXAJJUPUSE-JTQLQIEISA-N 1 0 216.325 0.997 10 0 BCAERO CCOC(=O)[C@@H](N)CC[N@H+](C)C1CC1 ZINC000062445817 170252519 /nfs/dbraw/zinc/25/25/19/170252519.db2.gz AFLLNCDPGDCVKP-VIFPVBQESA-N 1 0 200.282 0.361 10 0 BCAERO CCOC(=O)[C@@H](N)[C@@H]([NH3+])c1ccccc1 ZINC000034408887 170254005 /nfs/dbraw/zinc/25/40/05/170254005.db2.gz AQOCNRRHMCCNDH-UWVGGRQHSA-N 1 0 208.261 0.577 10 0 BCAERO CCOC(=O)[C@H](C)CNC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000236961658 170264538 /nfs/dbraw/zinc/26/45/38/170264538.db2.gz JCAUBYAYLVVHBL-KXUCPTDWSA-N 1 0 242.319 0.429 10 0 BCAERO Cc1c(C[NH2+][C@@H](C)C2(CO)CC2)cnn1C ZINC000657606651 411561417 /nfs/dbraw/zinc/56/14/17/411561417.db2.gz AAYYTCWCDKXVFJ-JTQLQIEISA-N 1 0 223.320 0.979 10 0 BCAERO CCOC(=O)[C@H](N)C[N@@H+]1CCC[C@@H]1CC ZINC000222872767 170274701 /nfs/dbraw/zinc/27/47/01/170274701.db2.gz NHEKUDQMIDLHRP-VHSXEESVSA-N 1 0 214.309 0.751 10 0 BCAERO CCOC(=O)[C@H](N)C[NH+]1CCC(C)CC1 ZINC000045374595 170275434 /nfs/dbraw/zinc/27/54/34/170275434.db2.gz BHLHMFBHEGQETO-SNVBAGLBSA-N 1 0 214.309 0.609 10 0 BCAERO CCOC(=O)[C@H](N)C[N@H+](CC)CC(C)C ZINC000045381537 170275521 /nfs/dbraw/zinc/27/55/21/170275521.db2.gz NVYSFORVDSWGPZ-SNVBAGLBSA-N 1 0 216.325 0.855 10 0 BCAERO CCOC(=O)[C@](C)(C[N@@H+]1CCCOCC1)NC ZINC000061933560 170283778 /nfs/dbraw/zinc/28/37/78/170283778.db2.gz BMRNNUSDRBOMRJ-LBPRGKRZSA-N 1 0 244.335 0.250 10 0 BCAERO CCOC(=O)c1ccc(N(C)CC[NH3+])nc1 ZINC000054419583 170295994 /nfs/dbraw/zinc/29/59/94/170295994.db2.gz WFQOIWJVJYBHIY-UHFFFAOYSA-N 1 0 223.276 0.653 10 0 BCAERO CCOC(=O)c1ccn(CSCC[NH3+])n1 ZINC000002538338 170300697 /nfs/dbraw/zinc/30/06/97/170300697.db2.gz URLOBNGEABYNRD-UHFFFAOYSA-N 1 0 229.305 0.709 10 0 BCAERO CCOC1CCN(C(=O)[C@@H](C)[NH2+]C)CC1 ZINC000054076077 170332866 /nfs/dbraw/zinc/33/28/66/170332866.db2.gz RAVUFRATOPTRPM-SECBINFHSA-N 1 0 214.309 0.622 10 0 BCAERO CCOCC(=O)N[C@@H]1CCCC[C@@H]1[NH3+] ZINC000038049040 170346847 /nfs/dbraw/zinc/34/68/47/170346847.db2.gz RWSIRRRVOJSUIJ-DTWKUNHWSA-N 1 0 200.282 0.409 10 0 BCAERO CCOCCC[NH2+]CC(=O)NCC(C)C ZINC000020054952 170380576 /nfs/dbraw/zinc/38/05/76/170380576.db2.gz MPZTXFXPDJMJBS-UHFFFAOYSA-N 1 0 216.325 0.775 10 0 BCAERO CCOCC[N@H+](CC)CC[C@@](C)([NH2+]C)C(=O)[O-] ZINC000104200609 170395333 /nfs/dbraw/zinc/39/53/33/170395333.db2.gz RIENOPSYGYKKLH-GFCCVEGCSA-N 1 0 246.351 0.798 10 0 BCAERO CC[N@@H+]1CC[C@H](NC(=O)c2ccc(NC)nc2)C1 ZINC000389603603 411635232 /nfs/dbraw/zinc/63/52/32/411635232.db2.gz VGCVAAWLKJOCKT-NSHDSACASA-N 1 0 248.330 0.947 10 0 BCAERO OCC1CC([NH2+]C[C@H](O)CC(F)(F)F)C1 ZINC000663374178 411640650 /nfs/dbraw/zinc/64/06/50/411640650.db2.gz HCEMWJQJFIWEGO-KAVNDROISA-N 1 0 227.226 0.660 10 0 BCAERO CN1C[C@H](C[NH2+]C[C@@H]2CCSC2)CC1=O ZINC000657694243 411579145 /nfs/dbraw/zinc/57/91/45/411579145.db2.gz BGUIGUWBUVEBHH-UWVGGRQHSA-N 1 0 228.361 0.807 10 0 BCAERO Cn1ccc(C[NH2+]C[C@@H]2CC(=O)N(C)C2)c1 ZINC000657696891 411581047 /nfs/dbraw/zinc/58/10/47/411581047.db2.gz XKDNGXQNUYYHRO-NSHDSACASA-N 1 0 221.304 0.593 10 0 BCAERO C[C@@H]1C[C@H]([NH2+]C[C@H]2CC(=O)N(C)C2)[C@@H](C)O1 ZINC000657695818 411581076 /nfs/dbraw/zinc/58/10/76/411581076.db2.gz BVGKIWRXOIGZRH-DBIOUOCHSA-N 1 0 226.320 0.620 10 0 BCAERO Cc1ccc(C[NH2+]C[C@H]2CC(=O)N(C)C2)nc1 ZINC000657696775 411581093 /nfs/dbraw/zinc/58/10/93/411581093.db2.gz KUZKNNDXPHYNMG-LLVKDONJSA-N 1 0 233.315 0.958 10 0 BCAERO CN1C[C@H](C[NH2+]Cc2cncs2)CC1=O ZINC000657695625 411581149 /nfs/dbraw/zinc/58/11/49/411581149.db2.gz NHFHXIRPNRSFCW-QMMMGPOBSA-N 1 0 225.317 0.711 10 0 BCAERO Cc1ccc(O)c(C[NH2+]C[C@H]2CC(=O)N(C)C2)n1 ZINC000657697564 411581715 /nfs/dbraw/zinc/58/17/15/411581715.db2.gz QASJXSJBGVNIKL-SNVBAGLBSA-N 1 0 249.314 0.664 10 0 BCAERO Cn1cccc1C[NH2+]C[C@@H]1CC(=O)N(C)C1 ZINC000657698601 411581755 /nfs/dbraw/zinc/58/17/55/411581755.db2.gz XVMKDHLVBGJABN-JTQLQIEISA-N 1 0 221.304 0.593 10 0 BCAERO Cc1c[nH]c(C[NH2+]C[C@@H]2CC(=O)N(C)C2)n1 ZINC000657696940 411581867 /nfs/dbraw/zinc/58/18/67/411581867.db2.gz OCPNBSVQJIDROB-VIFPVBQESA-N 1 0 222.292 0.286 10 0 BCAERO NC(=O)c1csc(C[NH2+]C2CC(CO)C2)c1 ZINC000657812331 411603612 /nfs/dbraw/zinc/60/36/12/411603612.db2.gz IJPXXIHYYQXRTE-UHFFFAOYSA-N 1 0 240.328 0.708 10 0 BCAERO CCO[C@@H](C[NH3+])CCN1C(=O)NC(C)(C)C1=O ZINC000062741360 170478040 /nfs/dbraw/zinc/47/80/40/170478040.db2.gz DAXBXNYXSPOFGD-MRVPVSSYSA-N 1 0 243.307 0.071 10 0 BCAERO CCO[C@@H]1C[C@H]1C(=O)NCCCC[NH3+] ZINC000236862045 170493561 /nfs/dbraw/zinc/49/35/61/170493561.db2.gz OPCGPUGLFLHTRN-RKDXNWHRSA-N 1 0 200.282 0.267 10 0 BCAERO CC[NH2+][C@H](C)CNc1nccn(CC)c1=O ZINC000387421427 411650717 /nfs/dbraw/zinc/65/07/17/411650717.db2.gz GEFYCTZCCCCUOQ-SECBINFHSA-N 1 0 224.308 0.673 10 0 BCAERO CCOc1cc([C@H]([NH3+])C(N)=O)ccc1O ZINC000037460166 170529007 /nfs/dbraw/zinc/52/90/07/170529007.db2.gz UPAVPSBNURZXJY-VIFPVBQESA-N 1 0 210.233 0.276 10 0 BCAERO CCOc1cccc(CNC(=O)C2C[NH2+]C2)c1 ZINC000091412611 170577378 /nfs/dbraw/zinc/57/73/78/170577378.db2.gz GFYQPHMKYRTSHV-UHFFFAOYSA-N 1 0 234.299 0.921 10 0 BCAERO Cc1cnc(NCCOCCC[NH3+])nc1C ZINC000630537448 411736125 /nfs/dbraw/zinc/73/61/25/411736125.db2.gz OKHTWLOONBRZPW-UHFFFAOYSA-N 1 0 224.308 0.871 10 0 BCAERO CC[C@@H]1[NH2+]CC[C@H]1Nc1nccn(C)c1=O ZINC000630527051 411743201 /nfs/dbraw/zinc/74/32/01/411743201.db2.gz GSXPXMAHXPWEIU-DTWKUNHWSA-N 1 0 222.292 0.333 10 0 BCAERO CC[C@@H]1[NH2+]CC[C@H]1Nc1ccc(C(N)=O)nn1 ZINC000630525397 411743320 /nfs/dbraw/zinc/74/33/20/411743320.db2.gz FQSWKSWVXFYAHI-JGVFFNPUSA-N 1 0 235.291 0.128 10 0 BCAERO CCS(=O)(=O)N(CC[NH3+])Cc1ccncc1 ZINC000076625981 170613484 /nfs/dbraw/zinc/61/34/84/170613484.db2.gz FGAVBAFLJKCLBQ-UHFFFAOYSA-N 1 0 243.332 0.192 10 0 BCAERO CCc1csc(NC[C@H]2C[NH2+]C[C@@H]2O)n1 ZINC000420237957 411771688 /nfs/dbraw/zinc/77/16/88/411771688.db2.gz IIDCGHGEHLTGMP-APPZFPTMSA-N 1 0 227.333 0.698 10 0 BCAERO CN(Cc1ncc[nH]1)C(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000133484868 411774639 /nfs/dbraw/zinc/77/46/39/411774639.db2.gz IANHZDBNQYWRKH-GFCCVEGCSA-N 1 0 236.319 0.900 10 0 BCAERO CCOc1nccnc1N[C@H]1CCC[NH2+][C@@H]1C ZINC000643035044 411720169 /nfs/dbraw/zinc/72/01/69/411720169.db2.gz QXRJAKYYHKNEIV-ZJUUUORDSA-N 1 0 236.319 1.428 10 0 BCAERO CC(C)(C)S(=O)(=O)n1ccnc1N ZINC000575567606 411864329 /nfs/dbraw/zinc/86/43/29/411864329.db2.gz ZATBCIRLCLEVEY-UHFFFAOYSA-N 1 0 203.267 0.442 10 0 BCAERO CC[C@@H](C)C(=O)N1CCCN(CC[NH3+])CC1 ZINC000037038357 170677704 /nfs/dbraw/zinc/67/77/04/170677704.db2.gz WZQUENHYHDABEI-LLVKDONJSA-N 1 0 227.352 0.526 10 0 BCAERO OC[C@H]1COCC[N@@H+]1C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000661560056 411802997 /nfs/dbraw/zinc/80/29/97/411802997.db2.gz FFMCGSZHDMEISV-USZNOCQGSA-N 1 0 211.305 0.726 10 0 BCAERO OC[C@H]1COCCN1CCC[NH+]1CCCCC1 ZINC000661562650 411803341 /nfs/dbraw/zinc/80/33/41/411803341.db2.gz RRHFIQIUSNVDCG-ZDUSSCGKSA-N 1 0 242.363 0.556 10 0 BCAERO Cc1nnc2c(N[C@H]3C[NH2+]CC[C@H]3C)nccn12 ZINC000389725809 411804224 /nfs/dbraw/zinc/80/42/24/411804224.db2.gz KSRNDJDVDYBFDM-SCZZXKLOSA-N 1 0 246.318 0.843 10 0 BCAERO C[C@@H]1CC[C@@H](Nc2ccc(C(N)=O)nn2)C[NH2+]1 ZINC000630532766 411838356 /nfs/dbraw/zinc/83/83/56/411838356.db2.gz KOKSLZBHSIPRPN-HTQZYQBOSA-N 1 0 235.291 0.128 10 0 BCAERO CC(C)[N@@H+]1CCN[C@H](c2c[nH]nc2N)C1 ZINC000616631888 411867181 /nfs/dbraw/zinc/86/71/81/411867181.db2.gz ADIPQSMPUBEVAZ-VIFPVBQESA-N 1 0 209.297 0.347 10 0 BCAERO CC[C@@H](C)[C@H]([NH3+])CN1CCS(=O)CC1 ZINC000049692960 170795203 /nfs/dbraw/zinc/79/52/03/170795203.db2.gz SGEMWWYGWFFKJO-NXEZZACHSA-N 1 0 218.366 0.424 10 0 BCAERO CC[C@@H](C[NH3+])C(=O)N1CCOC[C@H]1C ZINC000044801446 170822116 /nfs/dbraw/zinc/82/21/16/170822116.db2.gz XUIDYDMWOLPFIL-BDAKNGLRSA-N 1 0 200.282 0.219 10 0 BCAERO CC[C@@H](C)C(=O)N1CCN([C@@H](CC)C[NH3+])CC1 ZINC000104053833 170822150 /nfs/dbraw/zinc/82/21/50/170822150.db2.gz DVMPTXAYLHOUSH-NEPJUHHUSA-N 1 0 241.379 0.914 10 0 BCAERO CC(C)N1CC[NH2+]C[C@@H]1c1c[nH]nc1N ZINC000616636895 411871622 /nfs/dbraw/zinc/87/16/22/411871622.db2.gz GIXZINZGJJEAQC-SECBINFHSA-N 1 0 209.297 0.347 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)N(C)CC[C@@H](C)O ZINC000219742121 411882735 /nfs/dbraw/zinc/88/27/35/411882735.db2.gz UYEYRDMRQAEGHL-NXEZZACHSA-N 1 0 216.325 0.589 10 0 BCAERO Nc1n[nH]cc1[C@@H]1CCC[N@H+](CCO)CC1 ZINC000616627293 411986014 /nfs/dbraw/zinc/98/60/14/411986014.db2.gz GWFLOALHFYLABI-SECBINFHSA-N 1 0 224.308 0.554 10 0 BCAERO Nc1cc([C@H]2COCCC[N@@H+]2CCO)ccn1 ZINC000616599923 411950127 /nfs/dbraw/zinc/95/01/27/411950127.db2.gz SPTKLSYQMMABPT-LLVKDONJSA-N 1 0 237.303 0.420 10 0 BCAERO Nc1ccc([C@@H]2CCC[N@@H+]2CCO)cn1 ZINC000616608429 411961264 /nfs/dbraw/zinc/96/12/64/411961264.db2.gz VARMWHDKXISDOW-JTQLQIEISA-N 1 0 207.277 0.793 10 0 BCAERO CC[C@@H]1CCN(C[C@@H]2COCCO2)CC[NH2+]1 ZINC000049662285 171010503 /nfs/dbraw/zinc/01/05/03/171010503.db2.gz DSNZBLAGFSZGQG-VXGBXAGGSA-N 1 0 228.336 0.476 10 0 BCAERO CC[C@@H]1CC[C@H](C)N1C(=O)[C@H]([NH3+])COC ZINC000136144676 171052043 /nfs/dbraw/zinc/05/20/43/171052043.db2.gz QOLWBNNHDDOBHR-IVZWLZJFSA-N 1 0 214.309 0.750 10 0 BCAERO CC[C@@H]1CN(C(=O)[C@H]2CC[C@@H]([NH3+])C2)CCO1 ZINC000227879624 171069887 /nfs/dbraw/zinc/06/98/87/171069887.db2.gz IECRTAHULPSFMP-HBNTYKKESA-N 1 0 226.320 0.751 10 0 BCAERO CC[C@@H]1C[NH2+][C@@H](C)CN1[C@@H]1CCS(=O)(=O)C1 ZINC000083085087 171101531 /nfs/dbraw/zinc/10/15/31/171101531.db2.gz PVCBNXQTLHDQHN-HBNTYKKESA-N 1 0 246.376 0.246 10 0 BCAERO CC[C@@H]1COCCN1C(=O)[C@@H]1CCCC[NH2+]1 ZINC000036326547 171104006 /nfs/dbraw/zinc/10/40/06/171104006.db2.gz INQZDABYLSPCFT-MNOVXSKESA-N 1 0 226.320 0.766 10 0 BCAERO CC[C@@H]1CSC(N[C@@H](C)C(=O)NC)=N1 ZINC000042572465 171114916 /nfs/dbraw/zinc/11/49/16/171114916.db2.gz PXLUFCSRLVLHIV-NKWVEPMBSA-N 1 0 215.322 0.592 10 0 BCAERO CC[C@@](C)(O)C[N@@H+]1CCC[C@H](CO)C1 ZINC000119405044 171177583 /nfs/dbraw/zinc/17/75/83/171177583.db2.gz YSOCQNDTKRSXBD-WDEREUQCSA-N 1 0 201.310 0.852 10 0 BCAERO CC[C@@]([NH2+]C)(C(N)=O)c1ccc(O)cc1 ZINC000037458960 171193522 /nfs/dbraw/zinc/19/35/22/171193522.db2.gz KJIIHQYLKMUVME-NSHDSACASA-N 1 0 208.261 0.702 10 0 BCAERO CC[C@H](C(=O)[O-])[N@H+](C)C1CC[NH2+]CC1 ZINC000042430809 171236996 /nfs/dbraw/zinc/23/69/96/171236996.db2.gz YBDQIMSWFVHYHC-SECBINFHSA-N 1 0 200.282 0.533 10 0 BCAERO CC[C@H](C(=O)OC)[N@@H+]1CC[C@H](CCO)C1 ZINC000357954668 171241525 /nfs/dbraw/zinc/24/15/25/171241525.db2.gz VYIYWMSXTCRHCA-NXEZZACHSA-N 1 0 215.293 0.642 10 0 BCAERO CC[C@H](C(=O)OC)N1C[C@H]([NH+](C)C)[C@@H](C)C1 ZINC000358815833 171242129 /nfs/dbraw/zinc/24/21/29/171242129.db2.gz JREIVKDMEHWUKG-AXFHLTTASA-N 1 0 228.336 0.820 10 0 BCAERO CC[C@H](C(N)=O)[N@H+](CCOC)CC(C)C ZINC000061679178 171243424 /nfs/dbraw/zinc/24/34/24/171243424.db2.gz XMTQJXQFNRNBLF-SNVBAGLBSA-N 1 0 216.325 0.855 10 0 BCAERO CC[C@H](C)C(=O)N(CC(N)=O)C1CC[NH2+]CC1 ZINC000037542441 171246993 /nfs/dbraw/zinc/24/69/93/171246993.db2.gz GNDFLLWVCXJHQU-VIFPVBQESA-N 1 0 241.335 0.098 10 0 BCAERO CC[C@H](C)[N@H+](C)C[C@H](O)CN1CCCC1=O ZINC000305197898 171307757 /nfs/dbraw/zinc/30/77/57/171307757.db2.gz DYTLDUVIZMLJBK-QWRGUYRKSA-N 1 0 228.336 0.700 10 0 BCAERO CC[C@H](C)[N@@H+]1CCC(O)=C(C(=O)OC)C1 ZINC000169676074 171318290 /nfs/dbraw/zinc/31/82/90/171318290.db2.gz GATXIGUWNLPRCC-IUCAKERBSA-N 1 0 213.277 0.849 10 0 BCAERO CC[C@H](C)NC(=O)CC[NH2+]C[C@H](C)C(=O)OC ZINC000038014520 171322974 /nfs/dbraw/zinc/32/29/74/171322974.db2.gz JADTXAFMRJMIHV-UWVGGRQHSA-N 1 0 244.335 0.690 10 0 BCAERO CC[C@H](C)NC(=O)CNCCC[NH+](C)C ZINC000020054090 171326835 /nfs/dbraw/zinc/32/68/35/171326835.db2.gz ZSVIGSGPVPBMNX-JTQLQIEISA-N 1 0 215.341 0.442 10 0 BCAERO CC[C@H](C)[NH2+]CC(=O)NCc1ccnc(C)n1 ZINC000038038182 171339673 /nfs/dbraw/zinc/33/96/73/171339673.db2.gz UDKKRTISSDTTCP-VIFPVBQESA-N 1 0 236.319 0.789 10 0 BCAERO CC[C@H](C)[NH2+][C@H](C)C(=O)NCCOC ZINC000034937508 171348160 /nfs/dbraw/zinc/34/81/60/171348160.db2.gz SGABZUKSSVNNIR-DTWKUNHWSA-N 1 0 202.298 0.526 10 0 BCAERO CC[C@H](C)[NH2+][C@]1(C(N)=O)CCSC1 ZINC000038064865 171349664 /nfs/dbraw/zinc/34/96/64/171349664.db2.gz WEWSWMUSFAHWSH-IONNQARKSA-N 1 0 202.323 0.736 10 0 BCAERO CC[C@H](C)[C@@H](NC1CC[NH2+]CC1)C(=O)OC ZINC000038041277 171374666 /nfs/dbraw/zinc/37/46/66/171374666.db2.gz DFPZGELDUMMGTM-GXSJLCMTSA-N 1 0 228.336 0.916 10 0 BCAERO CC[C@H](C)[C@H]([NH3+])C(=O)N(CC)CCC(=O)OC ZINC000236995521 171394221 /nfs/dbraw/zinc/39/42/21/171394221.db2.gz CRFVGHSSDNACAY-ONGXEEELSA-N 1 0 244.335 0.771 10 0 BCAERO CC[C@H](C)[C@H]([NH3+])C(=O)N1CC[C@H](F)C1 ZINC000013529484 171394242 /nfs/dbraw/zinc/39/42/42/171394242.db2.gz INAAURZIHBQNQA-CIUDSAMLSA-N 1 0 202.273 0.930 10 0 BCAERO CC[C@H](C)[C@H]([NH3+])C(=O)N1CCC[C@H](CO)C1 ZINC000036227572 171394542 /nfs/dbraw/zinc/39/45/42/171394542.db2.gz ZBXBFAJQLOPEQT-DCAQKATOSA-N 1 0 228.336 0.591 10 0 BCAERO CC[C@H](C)[C@H]([NH3+])C(=O)NCCC[C@H](C)CO ZINC000226698408 171394585 /nfs/dbraw/zinc/39/45/85/171394585.db2.gz BGAMEXRPJXWDBQ-DCAQKATOSA-N 1 0 230.352 0.885 10 0 BCAERO CC[C@H](C)[C@H](NC1CC[NH2+]CC1)C(=O)OC ZINC000038041275 171398837 /nfs/dbraw/zinc/39/88/37/171398837.db2.gz DFPZGELDUMMGTM-ONGXEEELSA-N 1 0 228.336 0.916 10 0 BCAERO C[NH+](C)[C@H]1CCN(C(=O)c2ncccc2N)C1 ZINC000132688205 412197734 /nfs/dbraw/zinc/19/77/34/412197734.db2.gz YATPKNCZCCBMIJ-VIFPVBQESA-N 1 0 234.303 0.440 10 0 BCAERO [NH3+][C@H]1C[C@H](C(=O)N2CCO[C@@H]3CCCC[C@@H]32)C1 ZINC000662508300 412199275 /nfs/dbraw/zinc/19/92/75/412199275.db2.gz YHLXAXVDLJFDOB-FIQHERPVSA-N 1 0 238.331 0.894 10 0 BCAERO CN(C)c1nccc(N[C@H]2CC[C@@H](C[NH3+])C2)n1 ZINC000382408882 412200531 /nfs/dbraw/zinc/20/05/31/412200531.db2.gz CNSBVZUKQDLONI-ZJUUUORDSA-N 1 0 235.335 1.082 10 0 BCAERO O=C(C[C@H]1CC[NH2+]C1)NC[C@@H]1CCC[C@H]1O ZINC000662527822 412205167 /nfs/dbraw/zinc/20/51/67/412205167.db2.gz QOLAQUTWPCLNNS-OUAUKWLOSA-N 1 0 226.320 0.263 10 0 BCAERO [NH3+][C@H]1C[C@H](C(=O)NC[C@H]2CCC[C@@H]2O)C1 ZINC000662549324 412212593 /nfs/dbraw/zinc/21/25/93/412212593.db2.gz QXOKMCQZQZRSAF-KYXWUPHJSA-N 1 0 212.293 0.001 10 0 BCAERO CC[C@H]([NH2+]C)C(=O)N1CCN2CCCC[C@H]2C1 ZINC000662418769 412160401 /nfs/dbraw/zinc/16/04/01/412160401.db2.gz TZHRZIBVHOHCBQ-RYUDHWBXSA-N 1 0 239.363 0.681 10 0 BCAERO C[C@H]1CC[C@H](Nc2ccc3nncn3n2)C[NH2+]1 ZINC000630534646 412262475 /nfs/dbraw/zinc/26/24/75/412262475.db2.gz NXUPSKPANSTIOE-IUCAKERBSA-N 1 0 232.291 0.677 10 0 BCAERO C[NH2+][C@H](C)C(=O)N1CC[C@H]2COC[C@@H]2C1 ZINC000662710393 412278296 /nfs/dbraw/zinc/27/82/96/412278296.db2.gz IETUGABTOLUWGA-UTLUCORTSA-N 1 0 212.293 0.089 10 0 BCAERO CO[C@H](C(=O)N1C[C@H]([NH3+])[C@@H](C)C1)C1CCC1 ZINC000662572792 412224726 /nfs/dbraw/zinc/22/47/26/412224726.db2.gz ZGYJNBFPIXOKRY-LSJOCFKGSA-N 1 0 226.320 0.607 10 0 BCAERO COC[C@@H](CCNC(=O)C[C@@H]([NH3+])C(C)C)OC ZINC000662618770 412244226 /nfs/dbraw/zinc/24/42/26/412244226.db2.gz ZCYMXLIROGEUOV-GHMZBOCLSA-N 1 0 246.351 0.528 10 0 BCAERO CC[C@@H](C)N(CC)C(=O)[C@@H]1C[NH2+]CCOC1 ZINC000662839480 412318153 /nfs/dbraw/zinc/31/81/53/412318153.db2.gz TVIFWAFTQSQFEC-GHMZBOCLSA-N 1 0 228.336 0.869 10 0 BCAERO COCC1(N(C)C(=O)C[C@@H]([NH3+])C(C)C)CC1 ZINC000662850550 412321834 /nfs/dbraw/zinc/32/18/34/412321834.db2.gz PVMOWVNGVNVIOL-SNVBAGLBSA-N 1 0 228.336 0.997 10 0 BCAERO CC[C@H]1CSC(N[C@@H]2CCS(=O)(=O)C2)=[NH+]1 ZINC000035294831 171675307 /nfs/dbraw/zinc/67/53/07/171675307.db2.gz MHSLZWWBXRMRCQ-JGVFFNPUSA-N 1 0 248.373 0.645 10 0 BCAERO CC[C@H](C)CCNC(=O)[C@H]1C[NH2+]CCOC1 ZINC000662855169 412325175 /nfs/dbraw/zinc/32/51/75/412325175.db2.gz RSDHZPNSTOPLAN-QWRGUYRKSA-N 1 0 228.336 0.775 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)NC/C=C\CO ZINC000662856046 412325282 /nfs/dbraw/zinc/32/52/82/412325282.db2.gz MFKJHSZSMDKAEF-MTVLHHSESA-N 1 0 212.293 0.026 10 0 BCAERO O=C(C[C@H]1CCC[NH2+]C1)N[C@H](CO)C1CCC1 ZINC000662855740 412326066 /nfs/dbraw/zinc/32/60/66/412326066.db2.gz ZEJAVZKHXQFKDK-ZYHUDNBSSA-N 1 0 240.347 0.653 10 0 BCAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)NCCOCCF ZINC000663003091 412366866 /nfs/dbraw/zinc/36/68/66/412366866.db2.gz JPUVJCOSHNXZRW-NXEZZACHSA-N 1 0 232.299 0.464 10 0 BCAERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)NC/C=C/CO ZINC000662860897 412328224 /nfs/dbraw/zinc/32/82/24/412328224.db2.gz VDVUBOFKFPPBEG-MDCNRGEUSA-N 1 0 212.293 0.039 10 0 BCAERO CC(C)(F)CCNC(=O)C1(C[NH3+])CCOCC1 ZINC000662872699 412330466 /nfs/dbraw/zinc/33/04/66/412330466.db2.gz OPIKHCKWRAGMEF-UHFFFAOYSA-N 1 0 246.326 0.996 10 0 BCAERO CC(C)(F)CCNC(=O)[C@H]1C[NH2+]CCOC1 ZINC000662872438 412330774 /nfs/dbraw/zinc/33/07/74/412330774.db2.gz LDLGKJGCRBMGSD-VIFPVBQESA-N 1 0 232.299 0.477 10 0 BCAERO CC(C)(F)CCNC(=O)[C@@H]1C[NH2+]CCOC1 ZINC000662872437 412331188 /nfs/dbraw/zinc/33/11/88/412331188.db2.gz LDLGKJGCRBMGSD-SECBINFHSA-N 1 0 232.299 0.477 10 0 BCAERO C[C@@]1(CNC(=O)[C@H]2C[NH2+]CCOC2)CC1(F)F ZINC000662875398 412332055 /nfs/dbraw/zinc/33/20/55/412332055.db2.gz ORGXOSKUPGRVPS-WPRPVWTQSA-N 1 0 248.273 0.384 10 0 BCAERO CC1(C)C[C@@]1(C)NC(=O)[C@H]1C[NH2+]CCOC1 ZINC000662917608 412342440 /nfs/dbraw/zinc/34/24/40/412342440.db2.gz VYKAYEOWCPPFNH-JOYOIKCWSA-N 1 0 226.320 0.527 10 0 BCAERO CCCC[C@@H](C[NH3+])Nc1ccc(C#N)nn1 ZINC000397037619 412345475 /nfs/dbraw/zinc/34/54/75/412345475.db2.gz GUSRMFSEZLYQRZ-VIFPVBQESA-N 1 0 219.292 1.278 10 0 BCAERO O=C(CC(F)(F)F)NCC12CC(C1)C[NH2+]2 ZINC000662921218 412346099 /nfs/dbraw/zinc/34/60/99/412346099.db2.gz GXFCXEQCZGMILG-UHFFFAOYSA-N 1 0 222.210 0.807 10 0 BCAERO Cc1cn(C)nc1NC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000662970685 412360855 /nfs/dbraw/zinc/36/08/55/412360855.db2.gz OYBZFEHWJBKPAE-JGVFFNPUSA-N 1 0 226.255 0.367 10 0 BCAERO C[C@@H]1C[C@@H]1C(=O)N(C)[C@@H](C[NH3+])C(F)(F)F ZINC000662976748 412361504 /nfs/dbraw/zinc/36/15/04/412361504.db2.gz PZVVYJCAWIGSHK-VQVTYTSYSA-N 1 0 224.226 0.990 10 0 BCAERO C[C@@H]1C[C@@H]1C(=O)N(C)[C@H](C[NH3+])C(F)(F)F ZINC000662976744 412361635 /nfs/dbraw/zinc/36/16/35/412361635.db2.gz PZVVYJCAWIGSHK-DSYKOEDSSA-N 1 0 224.226 0.990 10 0 BCAERO CN(C(=O)c1cccn1C)[C@@H](C[NH3+])C(F)(F)F ZINC000662976311 412361646 /nfs/dbraw/zinc/36/16/46/412361646.db2.gz NKOAKXFJGICDOY-QMMMGPOBSA-N 1 0 249.236 0.987 10 0 BCAERO CN(C(=O)[C@@H]1CCOC1)[C@H](C[NH3+])C(F)(F)F ZINC000662978674 412361851 /nfs/dbraw/zinc/36/18/51/412361851.db2.gz RBXIUAYGEURUPU-RNFRBKRXSA-N 1 0 240.225 0.371 10 0 BCAERO COCCCC(=O)N(C)[C@H](C[NH3+])C(F)(F)F ZINC000662980291 412363234 /nfs/dbraw/zinc/36/32/34/412363234.db2.gz PAXSZFRVHBEZCI-SSDOTTSWSA-N 1 0 242.241 0.761 10 0 BCAERO C[NH2+]CCOCCNc1nc(C)cc(C)n1 ZINC000630531809 412292482 /nfs/dbraw/zinc/29/24/82/412292482.db2.gz ZXMOVTLCTCBMRE-UHFFFAOYSA-N 1 0 224.308 0.741 10 0 BCAERO C[NH2+]C[C@H](C)Nc1ccc(C(=O)OC)c(C)n1 ZINC000596032933 412292705 /nfs/dbraw/zinc/29/27/05/412292705.db2.gz QDAAEKOFBYYLCU-QMMMGPOBSA-N 1 0 237.303 1.196 10 0 BCAERO [NH3+]C1(CNc2nccn3cnnc23)CCOCC1 ZINC000630524808 412295978 /nfs/dbraw/zinc/29/59/78/412295978.db2.gz YBJNOLUNFYZXMK-UHFFFAOYSA-N 1 0 248.290 0.044 10 0 BCAERO [NH3+]CCCOCCNc1ncc(Cl)cn1 ZINC000630533641 412299104 /nfs/dbraw/zinc/29/91/04/412299104.db2.gz FIXLYBUHLJTQMD-UHFFFAOYSA-N 1 0 230.699 0.907 10 0 BCAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)c1c(Cl)cnn1C ZINC000662778491 412299731 /nfs/dbraw/zinc/29/97/31/412299731.db2.gz MOLDDDXJYOQRGQ-SVRRBLITSA-N 1 0 242.710 0.635 10 0 BCAERO Cc1cnc([C@@H](C)NC(=O)[C@H]2C[C@H]([NH3+])C2)o1 ZINC000662791823 412303964 /nfs/dbraw/zinc/30/39/64/412303964.db2.gz MNJAKIQAPKNAOA-IWSPIJDZSA-N 1 0 223.276 0.898 10 0 BCAERO C[C@@H](CCO)[NH2+]C[C@@H](O)COCc1ccco1 ZINC000133026642 412391610 /nfs/dbraw/zinc/39/16/10/412391610.db2.gz RSCKQRZPPODUDJ-WDEREUQCSA-N 1 0 243.303 0.518 10 0 BCAERO Cc1nccc(NCC23CC(C2)C[NH2+]3)n1 ZINC000663274012 412404550 /nfs/dbraw/zinc/40/45/50/412404550.db2.gz KINCAQJRSMFPJU-UHFFFAOYSA-N 1 0 204.277 0.949 10 0 BCAERO C[NH2+]C[C@H](C)Nc1ncnc2[nH]ccc21 ZINC000663278562 412407523 /nfs/dbraw/zinc/40/75/23/412407523.db2.gz JTICIOPZKUMIQW-ZETCQYMHSA-N 1 0 205.265 0.978 10 0 BCAERO C[NH2+]C[C@@H](C)Nc1nc(OC)cc(OC)n1 ZINC000663278567 412407692 /nfs/dbraw/zinc/40/76/92/412407692.db2.gz JWBDNNZFXPYPRH-SSDOTTSWSA-N 1 0 226.280 0.514 10 0 BCAERO CC(C)(C)[C@H](O)CNC(=O)[C@@]1(C)CCC[NH2+]1 ZINC000324503212 487623684 /nfs/dbraw/zinc/62/36/84/487623684.db2.gz LGIGQIPKMIACJH-BXKDBHETSA-N 1 0 228.336 0.652 10 0 BCAERO CCc1cnc(NC(=O)[C@@H]2C[C@H](O)C[NH2+]2)s1 ZINC000262463146 171918588 /nfs/dbraw/zinc/91/85/88/171918588.db2.gz FZLXVEGTTKXBGL-XPUUQOCRSA-N 1 0 241.316 0.367 10 0 BCAERO CCc1nc([C@H](CC)N2CC[NH2+]CC2)no1 ZINC000070996329 172007100 /nfs/dbraw/zinc/00/71/00/172007100.db2.gz RRHNDECAWBSTMH-VIFPVBQESA-N 1 0 224.308 0.988 10 0 BCAERO CCc1ncnc(N2CC[C@H]([NH3+])C2)c1F ZINC000234181540 172030480 /nfs/dbraw/zinc/03/04/80/172030480.db2.gz GHHBPTPRMOAFGC-ZETCQYMHSA-N 1 0 210.256 0.716 10 0 BCAERO CCc1ncnc(N(C)[C@@H](C)C[NH3+])c1F ZINC000234162292 172030513 /nfs/dbraw/zinc/03/05/13/172030513.db2.gz HPESGDUNPOHNPX-ZETCQYMHSA-N 1 0 212.272 0.962 10 0 BCAERO CCc1ncnc(N(C)[C@H](C)C[NH3+])c1F ZINC000234162480 172030910 /nfs/dbraw/zinc/03/09/10/172030910.db2.gz HPESGDUNPOHNPX-SSDOTTSWSA-N 1 0 212.272 0.962 10 0 BCAERO CCc1nnc(CN2CCC[C@H]([NH2+]C)C2)o1 ZINC000053204401 172049727 /nfs/dbraw/zinc/04/97/27/172049727.db2.gz HZKHKMREVOWAOM-VIFPVBQESA-N 1 0 224.308 0.816 10 0 BCAERO CCc1nnc(C[NH2+][C@](C)(CO)C(C)C)n1C ZINC000352877702 172053604 /nfs/dbraw/zinc/05/36/04/172053604.db2.gz CCZMNLSSVAPUDQ-GFCCVEGCSA-N 1 0 240.351 0.874 10 0 BCAERO CCc1nnc(COC2CC[NH2+]CC2)o1 ZINC000036963147 172054837 /nfs/dbraw/zinc/05/48/37/172054837.db2.gz FYZGZXYCXNLZDJ-UHFFFAOYSA-N 1 0 211.265 0.901 10 0 BCAERO CCc1nnc(CO[C@@H]2CCC[NH2+]C2)o1 ZINC000051787175 172055140 /nfs/dbraw/zinc/05/51/40/172055140.db2.gz SDDCLDXHVCMPFN-MRVPVSSYSA-N 1 0 211.265 0.901 10 0 BCAERO CCc1nnc(N[C@@H]2CC[NH2+]C2)nc1CC ZINC000163167670 172060846 /nfs/dbraw/zinc/06/08/46/172060846.db2.gz GOXWHQTXWKHDJP-MRVPVSSYSA-N 1 0 221.308 0.770 10 0 BCAERO CCc1nnc(SCC[NH3+])n1CC ZINC000058823409 172061836 /nfs/dbraw/zinc/06/18/36/172061836.db2.gz MRNPXJNNTNFZEP-UHFFFAOYSA-N 1 0 200.311 0.911 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)NCCOCC1CC1 ZINC000225810301 487624025 /nfs/dbraw/zinc/62/40/25/487624025.db2.gz MQLDKUJVJVGWRH-LLVKDONJSA-N 1 0 228.336 0.903 10 0 BCAERO CCn1c(C)nnc1[C@@H]([NH3+])Cc1c[nH]cn1 ZINC000042029940 172142450 /nfs/dbraw/zinc/14/24/50/172142450.db2.gz XCOLFUIEOCYJNP-VIFPVBQESA-N 1 0 220.280 0.572 10 0 BCAERO CCn1cc(C(=O)N2CCC([NH3+])CC2)ccc1=O ZINC000229015802 172150814 /nfs/dbraw/zinc/15/08/14/172150814.db2.gz UKKIFOWQTJPYGO-UHFFFAOYSA-N 1 0 249.314 0.432 10 0 BCAERO CCn1cc(CN(CCC[NH3+])CCOC)cn1 ZINC000071224294 172162568 /nfs/dbraw/zinc/16/25/68/172162568.db2.gz UTTZDINJBSAAPH-UHFFFAOYSA-N 1 0 240.351 0.700 10 0 BCAERO CCn1cc(N2CC[C@H]([NH2+]C)C2=O)cn1 ZINC000049648213 172178458 /nfs/dbraw/zinc/17/84/58/172178458.db2.gz MABRMEATRONQOH-VIFPVBQESA-N 1 0 208.265 0.228 10 0 BCAERO CCn1cccc1C[NH2+][C@@H](C)C(=O)NC ZINC000085609198 172208646 /nfs/dbraw/zinc/20/86/46/172208646.db2.gz NZLKDUKOUWZGAO-VIFPVBQESA-N 1 0 209.293 0.732 10 0 BCAERO CCn1ccnc(OC[C@@H]2CC[NH2+]C2)c1=O ZINC000061771921 172213751 /nfs/dbraw/zinc/21/37/51/172213751.db2.gz ABOUDKZXDCOUJW-SECBINFHSA-N 1 0 223.276 0.252 10 0 BCAERO CCn1nccc1C[NH2+]C[C@@H]1CN(C)CCO1 ZINC000119092773 172270667 /nfs/dbraw/zinc/27/06/67/172270667.db2.gz HOWMWRRTWRLPNF-GFCCVEGCSA-N 1 0 238.335 0.323 10 0 BCAERO CN(C(=O)C(C)(C)[NH3+])C1CCOCC1 ZINC000040920969 172294983 /nfs/dbraw/zinc/29/49/83/172294983.db2.gz VBYOPAQREOZXHC-UHFFFAOYSA-N 1 0 200.282 0.361 10 0 BCAERO CN(C(=O)C1(C[NH3+])CCOCC1)C1CC1 ZINC000044762445 172296796 /nfs/dbraw/zinc/29/67/96/172296796.db2.gz ISAMLJDMZVHUFT-UHFFFAOYSA-N 1 0 212.293 0.363 10 0 BCAERO CN(C(=O)C1CCCCC1)[C@@H]1C[NH2+]C[C@H]1O ZINC000036261125 172299074 /nfs/dbraw/zinc/29/90/74/172299074.db2.gz YHZMTBAMJPNSOD-GHMZBOCLSA-N 1 0 226.320 0.358 10 0 BCAERO CN(C(=O)C1CCCCC1)[C@H]1C[NH2+]C[C@@H]1O ZINC000077452234 172299132 /nfs/dbraw/zinc/29/91/32/172299132.db2.gz YHZMTBAMJPNSOD-QWRGUYRKSA-N 1 0 226.320 0.358 10 0 BCAERO CN(C(=O)CC(C)(C)C)[C@@H]1C[NH2+]C[C@H]1O ZINC000036261207 172300739 /nfs/dbraw/zinc/30/07/39/172300739.db2.gz LHPKASYVRKUTCF-RKDXNWHRSA-N 1 0 214.309 0.214 10 0 BCAERO CN(C(=O)CSC(C)(C)C)[C@@H]1C[NH2+]C[C@H]1O ZINC000036261210 172312660 /nfs/dbraw/zinc/31/26/60/172312660.db2.gz ZXMMSMWCRHRFFR-RKDXNWHRSA-N 1 0 246.376 0.309 10 0 BCAERO CN(C(=O)NCc1ccccc1)[C@H]1C[NH2+]C[C@@H]1O ZINC000234307782 172321742 /nfs/dbraw/zinc/32/17/42/172321742.db2.gz OCMNQOBIARVDFN-RYUDHWBXSA-N 1 0 249.314 0.161 10 0 BCAERO CN(C(=O)[C@@H]1C[C@@H](O)C[NH2+]1)C1CCCC1 ZINC000037092803 172329889 /nfs/dbraw/zinc/32/98/89/172329889.db2.gz ANLXOJWPOUWVML-ZJUUUORDSA-N 1 0 212.293 0.110 10 0 BCAERO CN(C(=O)[C@H]1CCCOC1)C(C)(C)C[NH3+] ZINC000082642626 172333634 /nfs/dbraw/zinc/33/36/34/172333634.db2.gz RCINHKVTSPTYMZ-VIFPVBQESA-N 1 0 214.309 0.609 10 0 BCAERO CN(C(=O)c1ccc(=O)oc1)[C@H]1CCC[NH2+]C1 ZINC000104347060 172338651 /nfs/dbraw/zinc/33/86/51/172338651.db2.gz LZQLYBQIFFBQPY-JTQLQIEISA-N 1 0 236.271 0.464 10 0 BCAERO CN(C(=O)c1cnn(C)c1)C(C)(C)C[NH3+] ZINC000098168221 172346191 /nfs/dbraw/zinc/34/61/91/172346191.db2.gz PXGNIPQRMTWVBY-UHFFFAOYSA-N 1 0 210.281 0.229 10 0 BCAERO CN(C(=O)c1cnn(C)c1)[C@H]1CCC[NH2+]C1 ZINC000037470102 172346275 /nfs/dbraw/zinc/34/62/75/172346275.db2.gz NFUXRGZVBPZKKF-JTQLQIEISA-N 1 0 222.292 0.244 10 0 BCAERO CN(C)C=C1C(=N)NC(N2CCCCC2)=NC1=O ZINC000072416238 172350709 /nfs/dbraw/zinc/35/07/09/172350709.db2.gz OVOBBGQKUXAPEU-CMDGGOBGSA-N 1 0 249.318 0.171 10 0 BCAERO CN(C)C(=O)CCNC(=O)C1CCC([NH3+])CC1 ZINC000037751281 172359547 /nfs/dbraw/zinc/35/95/47/172359547.db2.gz QISNHMAHQUITKE-UHFFFAOYSA-N 1 0 241.335 0.098 10 0 BCAERO CN(C)C(=O)CCO[C@H]1CCC[NH2+]C1 ZINC000037898113 172361472 /nfs/dbraw/zinc/36/14/72/172361472.db2.gz BBDPNFMSBGHGDC-VIFPVBQESA-N 1 0 200.282 0.233 10 0 BCAERO CN(C)C(=O)CNC(=O)CC1CCC([NH3+])CC1 ZINC000055126549 172367469 /nfs/dbraw/zinc/36/74/69/172367469.db2.gz OCIPCPUFTLNICO-UHFFFAOYSA-N 1 0 241.335 0.098 10 0 BCAERO CN(C)C(=O)C[NH2+]C[C@@H]1Cc2ccccc2O1 ZINC000038009964 172369538 /nfs/dbraw/zinc/36/95/38/172369538.db2.gz MJGBSBQBYKLXFQ-NSHDSACASA-N 1 0 234.299 0.668 10 0 BCAERO CN(C)C(=O)COC[C@@H]1CCC[NH2+]C1 ZINC000051815486 172372470 /nfs/dbraw/zinc/37/24/70/172372470.db2.gz HLMSBLVPKMFKPL-SECBINFHSA-N 1 0 200.282 0.091 10 0 BCAERO CN(C)C(=O)[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC000040458721 172384104 /nfs/dbraw/zinc/38/41/04/172384104.db2.gz YHVJCWPOEZQLQY-JTQLQIEISA-N 1 0 208.261 0.350 10 0 BCAERO C[NH+](C)CCCCNC(=O)c1cccnc1N ZINC000050708503 172428990 /nfs/dbraw/zinc/42/89/90/172428990.db2.gz NVNJUEUZPMSGON-UHFFFAOYSA-N 1 0 236.319 0.735 10 0 BCAERO C[NH+](C)CCNc1cc2c(cc1N)CC(=O)N2 ZINC000035345197 172470778 /nfs/dbraw/zinc/47/07/78/172470778.db2.gz NPIIGGAPDCZLTG-UHFFFAOYSA-N 1 0 234.303 0.737 10 0 BCAERO CN(C1CCCC1)S(=O)(=O)C[C@H]1CCC[NH2+]1 ZINC000049642917 172596069 /nfs/dbraw/zinc/59/60/69/172596069.db2.gz JBGMTFRMUFKYFE-SNVBAGLBSA-N 1 0 246.376 0.943 10 0 BCAERO CN(C1CC1)S(=O)(=O)c1ccccc1C[NH3+] ZINC000037081116 172597042 /nfs/dbraw/zinc/59/70/42/172597042.db2.gz RYTACEAAAXJOOU-UHFFFAOYSA-N 1 0 240.328 0.928 10 0 BCAERO CN(CC[NH3+])CN1C(=O)c2ccccc2C1=O ZINC000054418803 172732224 /nfs/dbraw/zinc/73/22/24/172732224.db2.gz LUZGQAJEURAWFW-UHFFFAOYSA-N 1 0 233.271 0.131 10 0 BCAERO CN(C[C@@H]1CCOC1)C(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000246174572 172816364 /nfs/dbraw/zinc/81/63/64/172816364.db2.gz BNEHZLAFSJDJKE-SDDRHHMPSA-N 1 0 240.347 0.999 10 0 BCAERO CN(Cc1ccnc(Cl)n1)[C@H]1CC[NH2+]C1 ZINC000095070736 172896689 /nfs/dbraw/zinc/89/66/89/172896689.db2.gz ZUZDXIGUZFBUFY-VIFPVBQESA-N 1 0 226.711 0.924 10 0 BCAERO CN(Cc1cnn(C)c1)C[C@H]1CCCC[NH2+]1 ZINC000042489396 172918087 /nfs/dbraw/zinc/91/80/87/172918087.db2.gz LCGHTOKEMKLTND-GFCCVEGCSA-N 1 0 222.336 0.994 10 0 BCAERO CN(Cc1nccn1C)[C@@H]1CCCC[NH2+]C1 ZINC000062327625 172931736 /nfs/dbraw/zinc/93/17/36/172931736.db2.gz LQVJHAMRTWUJRW-LLVKDONJSA-N 1 0 222.336 0.994 10 0 BCAERO CN([C@H]1CCS(=O)(=O)C1)C1(C[NH3+])CCCC1 ZINC000036869888 172945154 /nfs/dbraw/zinc/94/51/54/172945154.db2.gz NAKWRVUMYLYVNG-JTQLQIEISA-N 1 0 246.376 0.377 10 0 BCAERO CN(c1ncccc1O)[C@@H]1CCC[NH2+]C1 ZINC000095070520 172955327 /nfs/dbraw/zinc/95/53/27/172955327.db2.gz ZHZNDPJHGLSNAL-SECBINFHSA-N 1 0 207.277 0.975 10 0 BCAERO CN1CCCC[C@@H]1C[NH2+]Cc1cnc[nH]1 ZINC000054765263 173004764 /nfs/dbraw/zinc/00/47/64/173004764.db2.gz CUEHOAMBOYSIOT-LLVKDONJSA-N 1 0 208.309 0.984 10 0 BCAERO C[N@@H+]1CCCC[C@@H]1CCC(=O)N1CNC(=O)C1 ZINC000065403330 173005007 /nfs/dbraw/zinc/00/50/07/173005007.db2.gz ANOQYCXGJOJDJQ-SNVBAGLBSA-N 1 0 239.319 0.167 10 0 BCAERO C[N@@H+]1CCCN(C(=O)c2cc(N)c[nH]2)CC1 ZINC000036862350 173013605 /nfs/dbraw/zinc/01/36/05/173013605.db2.gz OYZCQYIROMRERC-UHFFFAOYSA-N 1 0 222.292 0.375 10 0 BCAERO C[N@@H+]1CCCN(c2ncnc(Cl)c2N)CC1 ZINC000062362297 173019042 /nfs/dbraw/zinc/01/90/42/173019042.db2.gz IAIGLPDJGQNZPH-UHFFFAOYSA-N 1 0 241.726 0.854 10 0 BCAERO C[N@@H+]1CCC[C@@H](NC(=O)[C@](C)([NH3+])C2CC2)C1 ZINC000040673745 173020294 /nfs/dbraw/zinc/02/02/94/173020294.db2.gz CNEOCDZJQIBZGV-ZYHUDNBSSA-N 1 0 225.336 0.324 10 0 BCAERO C[N@@H+]1CCC[C@@H]2CCC[C@H](S(N)(=O)=O)[C@@H]21 ZINC000238853194 173036639 /nfs/dbraw/zinc/03/66/39/173036639.db2.gz IPFPZBGJFVSRDN-LPEHRKFASA-N 1 0 232.349 0.538 10 0 BCAERO Cn1nccc1[C@@H]1[C@@H](C[NH3+])CCCN1C ZINC000164782785 173040733 /nfs/dbraw/zinc/04/07/33/173040733.db2.gz FLZFBJPUNPHGCU-KOLCDFICSA-N 1 0 208.309 0.762 10 0 BCAERO C[N@@H+]1CCC[C@H](CNC(=O)c2n[nH]cc2N)C1 ZINC000062812063 173041799 /nfs/dbraw/zinc/04/17/99/173041799.db2.gz AVNUTLHSLAVYMN-MRVPVSSYSA-N 1 0 237.307 0.064 10 0 BCAERO C[N@@H+]1CCC[C@]12CCN(c1nnco1)C2 ZINC000034116494 173061095 /nfs/dbraw/zinc/06/10/95/173061095.db2.gz URAOQLKOLHHMIM-SNVBAGLBSA-N 1 0 208.265 0.744 10 0 BCAERO C[N@@H+]1CCC[C@]12CCN(c1ncno1)C2 ZINC000038867058 173061317 /nfs/dbraw/zinc/06/13/17/173061317.db2.gz QTVXTNSCAPFCKO-SNVBAGLBSA-N 1 0 208.265 0.744 10 0 BCAERO CN1CCN(C(N)=[NH2+])Cc2ccccc21 ZINC000169316395 173064856 /nfs/dbraw/zinc/06/48/56/173064856.db2.gz LKHCUSDZSZOCEW-UHFFFAOYSA-N 1 0 204.277 0.832 10 0 BCAERO CN1CCN(Cc2csc(C[NH3+])n2)CC1 ZINC000052379421 173090354 /nfs/dbraw/zinc/09/03/54/173090354.db2.gz LIHBLGBHSQVQCY-UHFFFAOYSA-N 1 0 226.349 0.349 10 0 BCAERO CN1CCN([C@H]2COc3ccccc3[C@H]2[NH3+])CC1 ZINC000019397307 173094482 /nfs/dbraw/zinc/09/44/82/173094482.db2.gz MOSFDOZXOZJNTA-GXTWGEPZSA-N 1 0 247.342 0.695 10 0 BCAERO CN1CC[NH2+]C[C@H]1CNC(=O)OC(C)(C)C ZINC000082348623 173096627 /nfs/dbraw/zinc/09/66/27/173096627.db2.gz KNILPTZAZXNUFD-VIFPVBQESA-N 1 0 229.324 0.415 10 0 BCAERO CN1CCO[C@@H](C[NH2+]CCc2ccccn2)C1 ZINC000069589996 173102158 /nfs/dbraw/zinc/10/21/58/173102158.db2.gz YOIFDEDFPBIHQJ-ZDUSSCGKSA-N 1 0 235.331 0.544 10 0 BCAERO CN1CCO[C@H](C[NH2+][C@@H]2CCOC2(C)C)C1 ZINC000328202264 173108720 /nfs/dbraw/zinc/10/87/20/173108720.db2.gz GGWLMVVJZAZAOO-GHMZBOCLSA-N 1 0 228.336 0.474 10 0 BCAERO CN(C[C@@H]1CC[N@H+](C)C1)C(=O)c1cncc(O)c1 ZINC000109041530 173113748 /nfs/dbraw/zinc/11/37/48/173113748.db2.gz WZESAIIIQPOWOB-SNVBAGLBSA-N 1 0 249.314 0.811 10 0 BCAERO C[N@@H+]1CC[C@@H](CNc2ncc(N)cn2)C1 ZINC000040455843 173117957 /nfs/dbraw/zinc/11/79/57/173117957.db2.gz IQXDYRZCNWGSNK-QMMMGPOBSA-N 1 0 207.281 0.422 10 0 BCAERO CN1CC[C@@H](N2CC[C@H]([NH3+])C(C)(C)C2)C1=O ZINC000304304182 173118876 /nfs/dbraw/zinc/11/88/76/173118876.db2.gz PJNFZMYQYCLSHB-ZJUUUORDSA-N 1 0 225.336 0.276 10 0 BCAERO C[N@@H+]1CC[C@@H](NC(=O)COc2ccccc2N)C1 ZINC000042543533 173122267 /nfs/dbraw/zinc/12/22/67/173122267.db2.gz JQPDTQZWYOZLKF-SNVBAGLBSA-N 1 0 249.314 0.468 10 0 BCAERO C[N@@H+]1CC[C@@H](NC(=O)c2ccc(F)cc2N)C1 ZINC000062823261 173122810 /nfs/dbraw/zinc/12/28/10/173122810.db2.gz ABTVWPDYRYXKJM-SECBINFHSA-N 1 0 237.278 0.842 10 0 BCAERO C[N@@H+]1CC[C@@H](NC(=O)c2ccc(N)cc2)C1 ZINC000042543540 173123052 /nfs/dbraw/zinc/12/30/52/173123052.db2.gz RODPXWKIALZCQI-LLVKDONJSA-N 1 0 219.288 0.703 10 0 BCAERO C[N@@H+]1CC[C@@H](NC(=O)c2ccccc2N)C1 ZINC000049083053 173124435 /nfs/dbraw/zinc/12/44/35/173124435.db2.gz JBMUANKPFOEIOQ-SECBINFHSA-N 1 0 219.288 0.703 10 0 BCAERO Cn1cc(N[C@@H]2CC[N@H+](C)C2)ccc1=O ZINC000061989270 173125780 /nfs/dbraw/zinc/12/57/80/173125780.db2.gz JQVVLDPLSCFKEZ-SNVBAGLBSA-N 1 0 207.277 0.501 10 0 BCAERO C[N@@H+]1CC[C@@H](Nc2ncccc2C(N)=S)C1 ZINC000042549319 173126007 /nfs/dbraw/zinc/12/60/07/173126007.db2.gz AUHDERNIBKBGTO-MRVPVSSYSA-N 1 0 236.344 0.832 10 0 BCAERO C[N@@H+]1CC[C@@H](Nc2ccnc(C(N)=S)c2)C1 ZINC000061812866 173126048 /nfs/dbraw/zinc/12/60/48/173126048.db2.gz XGHQEGIKMMBMIH-SECBINFHSA-N 1 0 236.344 0.832 10 0 BCAERO C[N@@H+]1CC[C@@]2(CCCN2c2ncno2)C1 ZINC000038586004 173139972 /nfs/dbraw/zinc/13/99/72/173139972.db2.gz SOQHPNYLNGYAEJ-JTQLQIEISA-N 1 0 208.265 0.744 10 0 BCAERO C[N@@H+]1CC[C@H](CNCC(=O)N2CCCCC2)C1 ZINC000037647439 173146537 /nfs/dbraw/zinc/14/65/37/173146537.db2.gz NUCOUSAZVBSEHI-GFCCVEGCSA-N 1 0 239.363 0.540 10 0 BCAERO CN1CC[C@H]([NH2+]CC(=O)Nc2ccccc2)C1 ZINC000042547508 173153525 /nfs/dbraw/zinc/15/35/25/173153525.db2.gz XFZFLZMKKXMUIV-LBPRGKRZSA-N 1 0 233.315 0.919 10 0 BCAERO CN1C[C@H]([NH2+][C@@H]2[C@H]3CCO[C@H]3C2(C)C)CC1=O ZINC000310568810 173196539 /nfs/dbraw/zinc/19/65/39/173196539.db2.gz YOEWVYWPWAMOLN-CNVPUSNMSA-N 1 0 238.331 0.620 10 0 BCAERO CN1C[C@H]2O[NH+]=C(c3ccc(N)cc3)[C@@H]2C1 ZINC000073169682 173199692 /nfs/dbraw/zinc/19/96/92/173199692.db2.gz YQAPLHYTMNJLOS-GHMZBOCLSA-N 1 0 217.272 0.933 10 0 BCAERO C[N@H+]1[C@@H]2CC[C@H]1CC(NCC1CC1)(C(N)=O)C2 ZINC000038000863 173207613 /nfs/dbraw/zinc/20/76/13/173207613.db2.gz QKDTVSMFUVNLDM-QYJAPNMZSA-N 1 0 237.347 0.467 10 0 BCAERO CNC(=O)C1CCN([C@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000062948813 173224914 /nfs/dbraw/zinc/22/49/14/173224914.db2.gz LUPAQDIZXSVBQK-JQWIXIFHSA-N 1 0 239.363 0.585 10 0 BCAERO CNC(=O)CCN1[C@@H]2CCC[C@H]1CC([NH3+])C2 ZINC000054602557 173255988 /nfs/dbraw/zinc/25/59/88/173255988.db2.gz POLSIAAVDCXICI-FGWVZKOKSA-N 1 0 225.336 0.467 10 0 BCAERO CNC(=O)CCNC(=O)[C@@H]1CCC[C@H](C[NH3+])C1 ZINC000055162878 173257261 /nfs/dbraw/zinc/25/72/61/173257261.db2.gz HFRIVPDYPRWBPO-VHSXEESVSA-N 1 0 241.335 0.004 10 0 BCAERO CNC(=O)CCNC(=O)[C@H]1CCC[C@@H](C[NH3+])C1 ZINC000055162884 173257286 /nfs/dbraw/zinc/25/72/86/173257286.db2.gz HFRIVPDYPRWBPO-ZJUUUORDSA-N 1 0 241.335 0.004 10 0 BCAERO CNC(=O)CN(C)C(=O)C[C@@H]1CCCC[C@H]1[NH3+] ZINC000055126741 173264648 /nfs/dbraw/zinc/26/46/48/173264648.db2.gz UOYBWHGFVZSSJS-VHSXEESVSA-N 1 0 241.335 0.098 10 0 BCAERO CNC(=O)CCn1ccc2c1CCC[C@H]2[NH3+] ZINC000041735467 173265095 /nfs/dbraw/zinc/26/50/95/173265095.db2.gz KNSOPJBAANELLO-SNVBAGLBSA-N 1 0 221.304 0.960 10 0 BCAERO CNC(=O)CN(C)[C@H]1CCCCC[C@@H]1[NH3+] ZINC000040989246 173271510 /nfs/dbraw/zinc/27/15/10/173271510.db2.gz ZBCMLWZUUXEGBI-UWVGGRQHSA-N 1 0 213.325 0.324 10 0 BCAERO CNC(=O)C[N@@H+]1CCC[C@H]1Cn1ccnc1C ZINC000178297786 173273906 /nfs/dbraw/zinc/27/39/06/173273906.db2.gz FBUKQGNWZNTXKP-NSHDSACASA-N 1 0 236.319 0.402 10 0 BCAERO CNC(=O)C[C@H]([NH3+])c1ccc2c(c1)OCO2 ZINC000041239538 173283188 /nfs/dbraw/zinc/28/31/88/173283188.db2.gz ANBSYVZUZBHOOD-QMMMGPOBSA-N 1 0 222.244 0.551 10 0 BCAERO CNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1CC1(C)C ZINC000045119667 173288583 /nfs/dbraw/zinc/28/85/83/173288583.db2.gz LWWUJYLUEHHHIL-BQBZGAKWSA-N 1 0 213.281 0.219 10 0 BCAERO CNC(=O)NC(=O)[C@H](C)[NH2+]CC(C)C ZINC000020303140 173288711 /nfs/dbraw/zinc/28/87/11/173288711.db2.gz GZOKUVYEIIPONN-ZETCQYMHSA-N 1 0 201.270 0.076 10 0 BCAERO CNC(=O)[C@@H](C)[NH2+][C@@H](C)C(=O)N1CCCCC1 ZINC000042563057 173294972 /nfs/dbraw/zinc/29/49/72/173294972.db2.gz VGLOJLAJLSSRFO-ZJUUUORDSA-N 1 0 241.335 0.112 10 0 BCAERO CNC(=O)[C@@H]([NH2+]Cc1cnoc1C)C(C)C ZINC000309620284 173296633 /nfs/dbraw/zinc/29/66/33/173296633.db2.gz FBCQDUUFDPKWSY-JTQLQIEISA-N 1 0 225.292 0.843 10 0 BCAERO CNC(=O)[C@@H]1CCCCN1[C@@H]1CCC[NH2+]C1 ZINC000042422742 173297736 /nfs/dbraw/zinc/29/77/36/173297736.db2.gz UNQHYCRFLBDSGS-MNOVXSKESA-N 1 0 225.336 0.339 10 0 BCAERO CNC(=O)[C@@H]1CCCCN1C[C@@H]1CCC[NH2+]1 ZINC000043495721 173297967 /nfs/dbraw/zinc/29/79/67/173297967.db2.gz ZXELPYDGIBAKND-QWRGUYRKSA-N 1 0 225.336 0.339 10 0 BCAERO CNC(=O)[C@@H]1CCCN1C(=O)[C@H]([NH3+])CC(C)C ZINC000037826692 173298096 /nfs/dbraw/zinc/29/80/96/173298096.db2.gz MXLFUTCFGWKVNE-ZJUUUORDSA-N 1 0 241.335 0.097 10 0 BCAERO CNC(=O)[C@@H]1CCCN1C[C@@H]1CCCC[NH2+]1 ZINC000043493950 173299108 /nfs/dbraw/zinc/29/91/08/173299108.db2.gz FWRPCNLNPYDGBF-QWRGUYRKSA-N 1 0 225.336 0.339 10 0 BCAERO CNC(=O)[C@H](C)N(CC[NH3+])Cc1ccccc1 ZINC000038033196 173301769 /nfs/dbraw/zinc/30/17/69/173301769.db2.gz PVULBCUCYFYLQG-NSHDSACASA-N 1 0 235.331 0.582 10 0 BCAERO CNC(=O)[C@H](C)[NH2+]C[C@H](O)COC1CCCC1 ZINC000042562524 173302534 /nfs/dbraw/zinc/30/25/34/173302534.db2.gz YUBKHXOAADNWRT-UWVGGRQHSA-N 1 0 244.335 0.031 10 0 BCAERO CNC(=O)[C@H](C)[NH2+]CC(=O)NCc1ccccc1 ZINC000037908844 173302721 /nfs/dbraw/zinc/30/27/21/173302721.db2.gz TWSYDCQNMIXOKX-JTQLQIEISA-N 1 0 249.314 0.027 10 0 BCAERO CNC(=O)[C@H](C)[NH2+]CC1CCOCC1 ZINC000052172351 173302735 /nfs/dbraw/zinc/30/27/35/173302735.db2.gz AXTKFWILBKEWSA-QMMMGPOBSA-N 1 0 200.282 0.137 10 0 BCAERO CNC(=O)[C@H](C)Oc1c(C[NH3+])cccc1OC ZINC000035412958 173304232 /nfs/dbraw/zinc/30/42/32/173304232.db2.gz AHIHMXFOHQQCBX-QMMMGPOBSA-N 1 0 238.287 0.667 10 0 BCAERO CNC(=O)[C@H]1CCCCN1[C@@H]1CCC[NH2+]C1 ZINC000042422743 173306071 /nfs/dbraw/zinc/30/60/71/173306071.db2.gz UNQHYCRFLBDSGS-GHMZBOCLSA-N 1 0 225.336 0.339 10 0 BCAERO CNC(=O)[C@H]1CCCCN1C[C@@H]1CCC[NH2+]1 ZINC000043495724 173306121 /nfs/dbraw/zinc/30/61/21/173306121.db2.gz ZXELPYDGIBAKND-WDEREUQCSA-N 1 0 225.336 0.339 10 0 BCAERO CNC(=O)[C@H]1CCCC[N@@H+]1[C@H](C)CC(=O)OC ZINC000042423108 173306255 /nfs/dbraw/zinc/30/62/55/173306255.db2.gz FXLFIFOXTIFEBD-NXEZZACHSA-N 1 0 242.319 0.539 10 0 BCAERO CNC(=O)[C@H]1CCCN1C[C@@H]1CCCC[NH2+]1 ZINC000043493952 173307367 /nfs/dbraw/zinc/30/73/67/173307367.db2.gz FWRPCNLNPYDGBF-WDEREUQCSA-N 1 0 225.336 0.339 10 0 BCAERO CNC(=O)c1ccc(N[C@@H]2CCC[NH2+][C@H]2C)nn1 ZINC000229607705 173311230 /nfs/dbraw/zinc/31/12/30/173311230.db2.gz PUAHNPTUNJGUER-DTWKUNHWSA-N 1 0 249.318 0.389 10 0 BCAERO CNC(=O)c1nccc(OC2CC2)c1C[NH3+] ZINC000095737634 173314474 /nfs/dbraw/zinc/31/44/74/173314474.db2.gz HZXWECLLSULIIZ-UHFFFAOYSA-N 1 0 221.260 0.441 10 0 BCAERO C[NH2+]C(C)(C)C(=O)N1CCC[C@H]1C(=O)OC ZINC000061317059 173317665 /nfs/dbraw/zinc/31/76/65/173317665.db2.gz KJCZAINUNBYFOJ-QMMMGPOBSA-N 1 0 228.292 0.148 10 0 BCAERO C[NH2+]C(C)(C)C(=O)N1CCC[C@@H]1C(=O)OC ZINC000061317056 173317867 /nfs/dbraw/zinc/31/78/67/173317867.db2.gz KJCZAINUNBYFOJ-MRVPVSSYSA-N 1 0 228.292 0.148 10 0 BCAERO C[NH2+]C(C)(C)C(=O)NCc1c[nH]nc1C ZINC000061317793 173318221 /nfs/dbraw/zinc/31/82/21/173318221.db2.gz RASCNDJSVKRTCY-UHFFFAOYSA-N 1 0 210.281 0.332 10 0 BCAERO C[NH2+]C(C)(C)C(=O)NC1CCC(C(N)=O)CC1 ZINC000061300647 173318332 /nfs/dbraw/zinc/31/83/32/173318332.db2.gz BFWSPIGPADQOHR-UHFFFAOYSA-N 1 0 241.335 0.145 10 0 BCAERO C[NH2+]C(C)(C)C(=O)N1C[C@@H](C)OC[C@H]1C ZINC000061300467 173318377 /nfs/dbraw/zinc/31/83/77/173318377.db2.gz OGJAWKRMFLMXIC-RKDXNWHRSA-N 1 0 214.309 0.620 10 0 BCAERO C[NH2+]C(C)(C)C(=O)NC[C@@H]1CCCO1 ZINC000061300245 173318411 /nfs/dbraw/zinc/31/84/11/173318411.db2.gz QGDLIKOPQLRXMU-QMMMGPOBSA-N 1 0 200.282 0.280 10 0 BCAERO C[NH2+]C(C)(C)C(=O)NC1(CO)CCCC1 ZINC000061319308 173318456 /nfs/dbraw/zinc/31/84/56/173318456.db2.gz SWGKULZXLDPGEO-UHFFFAOYSA-N 1 0 214.309 0.406 10 0 BCAERO C[NH2+]C(C)(C)C(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000061300027 173318480 /nfs/dbraw/zinc/31/84/80/173318480.db2.gz HOXZRRWHZHMZQB-RKDXNWHRSA-N 1 0 214.309 0.620 10 0 BCAERO C[NH2+]C(C)(C)C(=O)N1CCO[C@H](C)C1 ZINC000061300032 173318723 /nfs/dbraw/zinc/31/87/23/173318723.db2.gz WSVKGCKUBZQOKG-MRVPVSSYSA-N 1 0 200.282 0.232 10 0 BCAERO C[NH2+]C(C)(C)CN1CCn2ccnc2C1 ZINC000062321376 173318921 /nfs/dbraw/zinc/31/89/21/173318921.db2.gz FPSXGPUYFRNBKW-UHFFFAOYSA-N 1 0 208.309 0.697 10 0 BCAERO C[NH2+]C(C)(C)CN[C@]1(C)CCS(=O)(=O)C1 ZINC000061319789 173319213 /nfs/dbraw/zinc/31/92/13/173319213.db2.gz IYEZKQTWIZQARH-SNVBAGLBSA-N 1 0 234.365 0.151 10 0 BCAERO CNC1(C(=O)OC)CC[NH+](C(C)C)CC1 ZINC000037447784 173321012 /nfs/dbraw/zinc/32/10/12/173321012.db2.gz QRTOTQKABKFLHX-UHFFFAOYSA-N 1 0 214.309 0.622 10 0 BCAERO C[NH2+]C1CCC(NC(=O)[C@@H]2CCOC2)CC1 ZINC000040941585 173321745 /nfs/dbraw/zinc/32/17/45/173321745.db2.gz ITIADELVVHWZPR-KPPDAEKUSA-N 1 0 226.320 0.670 10 0 BCAERO C[NH2+]C1CCC(NS(=O)(=O)C(C)C)CC1 ZINC000037657516 173322115 /nfs/dbraw/zinc/32/21/15/173322115.db2.gz AWUPYQSEAASBGH-UHFFFAOYSA-N 1 0 234.365 0.845 10 0 BCAERO C[NH2+]C1CCN(C(=O)[C@@H]2CCOC2)CC1 ZINC000040928960 173322836 /nfs/dbraw/zinc/32/28/36/173322836.db2.gz QLDBIEKPSSANQO-SECBINFHSA-N 1 0 212.293 0.233 10 0 BCAERO C[NH2+]C1CCN(S(=O)(=O)C(C)C)CC1 ZINC000037657157 173323269 /nfs/dbraw/zinc/32/32/69/173323269.db2.gz JWTVTSTZADFKAC-UHFFFAOYSA-N 1 0 220.338 0.408 10 0 BCAERO C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2CC(N)=O ZINC000054601562 173323960 /nfs/dbraw/zinc/32/39/60/173323960.db2.gz JNOWMOPZUOLBIG-PBINXNQUSA-N 1 0 211.309 0.077 10 0 BCAERO C[NH2+]CC(=O)N1CCc2ncccc2C1 ZINC000037484107 173327593 /nfs/dbraw/zinc/32/75/93/173327593.db2.gz LFQSAONMRRJZDV-UHFFFAOYSA-N 1 0 205.261 0.186 10 0 BCAERO C[NH2+]CC(=O)NCCCc1ccc2c(c1)CCO2 ZINC000077423112 173328903 /nfs/dbraw/zinc/32/89/03/173328903.db2.gz XYJSRQPFLRXSIH-UHFFFAOYSA-N 1 0 248.326 0.890 10 0 BCAERO C[NH2+]CC(=O)NCc1ccc(OCC2CC2)nc1 ZINC000193128868 173329849 /nfs/dbraw/zinc/32/98/49/173329849.db2.gz LYFIEYSKJWBKTL-UHFFFAOYSA-N 1 0 249.314 0.706 10 0 BCAERO C[NH2+]CC(=O)N[C@@]1(CO)CCC[C@@H](C)C1 ZINC000053127871 173331633 /nfs/dbraw/zinc/33/16/33/173331633.db2.gz JPRURPHDLDDJCO-KOLCDFICSA-N 1 0 214.309 0.263 10 0 BCAERO C[NH2+]CC(=O)N[C@H](COC)c1ccco1 ZINC000193131867 173332386 /nfs/dbraw/zinc/33/23/86/173332386.db2.gz MGDFQMGPRVDOFB-MRVPVSSYSA-N 1 0 212.249 0.303 10 0 BCAERO C[NH2+]CC(=O)Nc1ccc(NC(N)=O)cc1 ZINC000037041276 173333533 /nfs/dbraw/zinc/33/35/33/173333533.db2.gz WGCDJOCGMUONOA-UHFFFAOYSA-N 1 0 222.248 0.335 10 0 BCAERO C[NH2+]CC(=O)Nc1ccc2nccnc2c1 ZINC000037765728 173333868 /nfs/dbraw/zinc/33/38/68/173333868.db2.gz KWFGQSQSSWNQGI-UHFFFAOYSA-N 1 0 216.244 0.788 10 0 BCAERO C[NH2+]CC(=O)Nc1cc(F)ccc1OC ZINC000082595199 173334404 /nfs/dbraw/zinc/33/44/04/173334404.db2.gz IZHHECTZIAHGHP-UHFFFAOYSA-N 1 0 212.224 0.992 10 0 BCAERO C[NH2+]CC(C)(C)CN1CCn2ccnc2C1 ZINC000062322251 173336411 /nfs/dbraw/zinc/33/64/11/173336411.db2.gz CYDFAFBJDARINU-UHFFFAOYSA-N 1 0 222.336 0.944 10 0 BCAERO C[NH2+]CC1(Cc2cnn(C)c2)CCOCC1 ZINC000061674053 173338126 /nfs/dbraw/zinc/33/81/26/173338126.db2.gz DFWUMTKXZRGTAR-UHFFFAOYSA-N 1 0 223.320 0.979 10 0 BCAERO C[NH2+]CC1=CC2=CC=C[C@@H]3CCN(C1=O)[C@@H]23 ZINC000039287547 173338493 /nfs/dbraw/zinc/33/84/93/173338493.db2.gz AVDHPJYRKBVCMZ-BXKDBHETSA-N 1 0 216.284 0.859 10 0 BCAERO C[NH2+]CC1CCN(c2nccn2C)CC1 ZINC000053664137 173338688 /nfs/dbraw/zinc/33/86/88/173338688.db2.gz FVBILGBWYNLECQ-UHFFFAOYSA-N 1 0 208.309 0.856 10 0 BCAERO C[NH2+]CCC(=O)N1CCCC[C@H]1C(=O)OC ZINC000043604961 173339378 /nfs/dbraw/zinc/33/93/78/173339378.db2.gz YAJMGHKDSQIAFK-VIFPVBQESA-N 1 0 228.292 0.150 10 0 BCAERO C[NH2+]CCC(=O)N[C@H](C)C(=O)N1CCCCC1 ZINC000043604701 173341317 /nfs/dbraw/zinc/34/13/17/173341317.db2.gz KZOQYWJERRRBBU-SNVBAGLBSA-N 1 0 241.335 0.113 10 0 BCAERO C[NH2+]CCC(=O)N[C@H](C)c1cccnc1 ZINC000043600056 173341417 /nfs/dbraw/zinc/34/14/17/173341417.db2.gz AZOONSJZPWUDNM-SECBINFHSA-N 1 0 207.277 0.868 10 0 BCAERO C[NH2+]CCCC(=O)N1CCC(CC(N)=O)CC1 ZINC000037821201 173343197 /nfs/dbraw/zinc/34/31/97/173343197.db2.gz UPCRSQHSHWSZPL-UHFFFAOYSA-N 1 0 241.335 0.100 10 0 BCAERO C[NH2+]CCN(C)CCc1ccc2[nH]c(=O)oc2c1 ZINC000077427991 173352644 /nfs/dbraw/zinc/35/26/44/173352644.db2.gz LOFVHUKCCGEVHP-UHFFFAOYSA-N 1 0 249.314 0.815 10 0 BCAERO C[NH2+]CCN(C)CCc1ccc2oc(=O)[nH]c2c1 ZINC000077427995 173353130 /nfs/dbraw/zinc/35/31/30/173353130.db2.gz KUDLCERYTTYCDU-UHFFFAOYSA-N 1 0 249.314 0.815 10 0 BCAERO C[NH2+]CCN(C)c1ncnc2c1cnn2C ZINC000053663769 173354308 /nfs/dbraw/zinc/35/43/08/173354308.db2.gz JVZOARMGPMRHOF-UHFFFAOYSA-N 1 0 220.280 0.019 10 0 BCAERO C[NH2+]CCN1C(=O)C[C@@](C)(C(C)C)C1=O ZINC000054244918 173354752 /nfs/dbraw/zinc/35/47/52/173354752.db2.gz FEZNTJIAFNCPAF-NSHDSACASA-N 1 0 212.293 0.627 10 0 BCAERO C[NH2+]CCN1C(=O)C[C@@H](c2ccccc2)C1=O ZINC000054244930 173354769 /nfs/dbraw/zinc/35/47/69/173354769.db2.gz XTSCXKWNRXVWOW-NSHDSACASA-N 1 0 232.283 0.749 10 0 BCAERO C[NH2+]CCOCCc1ccc2c(c1)CC(=O)N2 ZINC000077369304 173356760 /nfs/dbraw/zinc/35/67/60/173356760.db2.gz QJTFHJVRJYKVDJ-UHFFFAOYSA-N 1 0 234.299 0.960 10 0 BCAERO C[NH2+]CCNc1nnnn1-c1ccccc1 ZINC000054244855 173356828 /nfs/dbraw/zinc/35/68/28/173356828.db2.gz UDGAGIPMCKNWHL-UHFFFAOYSA-N 1 0 218.264 0.294 10 0 BCAERO C[NH2+]CCNc1c(C(N)=O)cnc2ccccc21 ZINC000054244871 173356859 /nfs/dbraw/zinc/35/68/59/173356859.db2.gz CVXAGSOZWHFXAK-UHFFFAOYSA-N 1 0 244.298 0.965 10 0 BCAERO C[NH2+]CCc1noc(-c2ccncc2)n1 ZINC000051850759 173361834 /nfs/dbraw/zinc/36/18/34/173361834.db2.gz ABQUFNRJKCBEJV-UHFFFAOYSA-N 1 0 204.233 0.894 10 0 BCAERO C[NH2+]CCn1ncc(=O)c2ccccc21 ZINC000042410428 173362088 /nfs/dbraw/zinc/36/20/88/173362088.db2.gz WSDLMJOTLUZZKK-UHFFFAOYSA-N 1 0 203.245 0.616 10 0 BCAERO C[NH2+]CCn1[nH]c(=O)c2ccccc2c1=O ZINC000042410085 173362107 /nfs/dbraw/zinc/36/21/07/173362107.db2.gz ANOQOMLSBNWBIZ-UHFFFAOYSA-N 1 0 219.244 0.322 10 0 BCAERO C[NH2+]C[C@@H](C)C(=O)N1CCC([C@H](C)O)CC1 ZINC000226332877 173362474 /nfs/dbraw/zinc/36/24/74/173362474.db2.gz OSCKGNCKWGMINC-ZJUUUORDSA-N 1 0 228.336 0.461 10 0 BCAERO C[NH2+]C[C@@H](C)Oc1nc2c(cc1C(N)=O)CCC2 ZINC000051867933 173364903 /nfs/dbraw/zinc/36/49/03/173364903.db2.gz MMNMHYZARWRDIS-MRVPVSSYSA-N 1 0 249.314 0.656 10 0 BCAERO C[NH2+]C[C@@H](O)CN(C)CCc1ccccn1 ZINC000019864145 173365090 /nfs/dbraw/zinc/36/50/90/173365090.db2.gz IXMLGNKRMJHPKW-GFCCVEGCSA-N 1 0 223.320 0.136 10 0 BCAERO C[NH2+]C[C@@H](O)Cn1c2ccccc2oc1=O ZINC000019864417 173365392 /nfs/dbraw/zinc/36/53/92/173365392.db2.gz WDPYWOYTLIVSAH-MRVPVSSYSA-N 1 0 222.244 0.175 10 0 BCAERO C[NH2+]C[C@@H](O)Cn1cnc2sccc2c1=O ZINC000019864356 173365590 /nfs/dbraw/zinc/36/55/90/173365590.db2.gz GBUSCCCVIVWGPC-SSDOTTSWSA-N 1 0 239.300 0.038 10 0 BCAERO C[NH2+]C[C@@H](O)COc1ccc(C)cc1OC ZINC000019864845 173365846 /nfs/dbraw/zinc/36/58/46/173365846.db2.gz IXUAVCRWDOHPSR-SNVBAGLBSA-N 1 0 225.288 0.963 10 0 BCAERO C[NH2+]C[C@@H]1CCCN(S(=O)(=O)C(C)C)C1 ZINC000040597398 173367508 /nfs/dbraw/zinc/36/75/08/173367508.db2.gz FEWARGQIOYSXMI-JTQLQIEISA-N 1 0 234.365 0.656 10 0 BCAERO C[NH2+]C[C@@H]1CCCN(C(=O)c2cn[nH]c2)C1 ZINC000040594092 173367653 /nfs/dbraw/zinc/36/76/53/173367653.db2.gz VMXKYPYFVHXNEE-VIFPVBQESA-N 1 0 222.292 0.481 10 0 BCAERO C[NH2+]C[C@@H]1CCCN([C@@H]2CCS(=O)(=O)C2)C1 ZINC000040601636 173368239 /nfs/dbraw/zinc/36/82/39/173368239.db2.gz VUUWRBWUSJYFKE-WDEREUQCSA-N 1 0 246.376 0.105 10 0 BCAERO C[NH2+]C[C@@H]1CCCN1c1ncc(F)cn1 ZINC000128527040 173369784 /nfs/dbraw/zinc/36/97/84/173369784.db2.gz HGJNPHIMNHMPIO-VIFPVBQESA-N 1 0 210.256 0.804 10 0 BCAERO C[NH2+]C[C@@H]1CCN(CCS(=O)(=O)C(C)C)C1 ZINC000226420494 173370966 /nfs/dbraw/zinc/37/09/66/173370966.db2.gz VOSDFLZSTKIHCV-NSHDSACASA-N 1 0 248.392 0.351 10 0 BCAERO C[NH2+]C[C@H](C)C(=O)N1CCC([C@@H](C)O)CC1 ZINC000226332873 173372930 /nfs/dbraw/zinc/37/29/30/173372930.db2.gz OSCKGNCKWGMINC-VHSXEESVSA-N 1 0 228.336 0.461 10 0 BCAERO C[NH2+]C[C@H](C)C(=O)/N=c1/sccn1C ZINC000237096425 173373064 /nfs/dbraw/zinc/37/30/64/173373064.db2.gz LATXEHJATBMVFA-MCTJWZARSA-N 1 0 213.306 0.369 10 0 BCAERO C[NH2+]C[C@H]1CC(=O)N(CCCOC)C1 ZINC000077296881 173377994 /nfs/dbraw/zinc/37/79/94/173377994.db2.gz ZIZZLXWTVDIMNQ-SECBINFHSA-N 1 0 200.282 0.091 10 0 BCAERO C[NH2+]C[C@H]1CCCCN1[C@@H]1CCCCNC1=O ZINC000063168447 173378159 /nfs/dbraw/zinc/37/81/59/173378159.db2.gz AWWKHNWDBXXFQR-VXGBXAGGSA-N 1 0 239.363 0.729 10 0 BCAERO C[NH2+]C[C@H]1CCCN1CCS(=O)(=O)C(C)C ZINC000226428324 173380042 /nfs/dbraw/zinc/38/00/42/173380042.db2.gz MRFGJGGHSBFTFV-LLVKDONJSA-N 1 0 248.392 0.493 10 0 BCAERO C[NH2+]C[C@H]1C[C@@H](F)CN1Cc1cnn(C)c1 ZINC000238851226 173382544 /nfs/dbraw/zinc/38/25/44/173382544.db2.gz FVLHUCNDNCEVRO-GHMZBOCLSA-N 1 0 226.299 0.552 10 0 BCAERO C[NH2+]C[C@H]1C[C@@H](F)CN1c1ccncn1 ZINC000238856349 173382560 /nfs/dbraw/zinc/38/25/60/173382560.db2.gz VSEDSCZDHJPPRI-RKDXNWHRSA-N 1 0 210.256 0.613 10 0 BCAERO C[NH2+]Cc1c(C)nn(C)c1N1CCOC[C@H]1C ZINC000035777705 173385412 /nfs/dbraw/zinc/38/54/12/173385412.db2.gz QUDUSWXDZBKTFZ-SECBINFHSA-N 1 0 238.335 0.673 10 0 BCAERO C[NH2+]Cc1ccc(N2CCCOCC2)nn1 ZINC000061935330 173388960 /nfs/dbraw/zinc/38/89/60/173388960.db2.gz OIKIWTFRIMAPTE-UHFFFAOYSA-N 1 0 222.292 0.423 10 0 BCAERO C[NH2+]Cc1cccc(OC)c1O[C@@H](C)C(N)=O ZINC000035413470 173389656 /nfs/dbraw/zinc/38/96/56/173389656.db2.gz DYUFVOSTKKVBHS-QMMMGPOBSA-N 1 0 238.287 0.667 10 0 BCAERO C[NH2+]Cc1ccccc1N(C)C[C@@H](O)COC ZINC000042511653 173390204 /nfs/dbraw/zinc/39/02/04/173390204.db2.gz KGLQAHNVISOPOR-GFCCVEGCSA-N 1 0 238.331 0.850 10 0 BCAERO C[NH2+]Cc1ccccc1N1CC[C@@H](O)C1 ZINC000061711241 173390305 /nfs/dbraw/zinc/39/03/05/173390305.db2.gz UVOAWCGAQMRUNN-LLVKDONJSA-N 1 0 206.289 0.977 10 0 BCAERO C[NH2+]Cc1cnc(C[C@H]2CCCO2)nc1 ZINC000054855540 173392140 /nfs/dbraw/zinc/39/21/40/173392140.db2.gz FAAIFWVGQSLYCH-SNVBAGLBSA-N 1 0 207.277 0.918 10 0 BCAERO C[NH2+]Cc1csc(CS(C)(=O)=O)n1 ZINC000052789328 173393015 /nfs/dbraw/zinc/39/30/15/173393015.db2.gz FOSPDQVTGLVROP-UHFFFAOYSA-N 1 0 220.319 0.407 10 0 BCAERO C[NH2+]Cc1nnnn1-c1ccc(C)cc1F ZINC000054744626 173398481 /nfs/dbraw/zinc/39/84/81/173398481.db2.gz BQDRIJAMFVUHLO-UHFFFAOYSA-N 1 0 221.239 0.829 10 0 BCAERO C[NH2+]Cc1nnnn1CCc1cccc(C)c1 ZINC000054746369 173398795 /nfs/dbraw/zinc/39/87/95/173398795.db2.gz HBIZECAGNBGRHI-UHFFFAOYSA-N 1 0 231.303 0.944 10 0 BCAERO C[NH2+]Cc1nnnn1-c1cc(F)ccc1F ZINC000054744309 173398839 /nfs/dbraw/zinc/39/88/39/173398839.db2.gz GCLWRDYPHMGFSH-UHFFFAOYSA-N 1 0 225.202 0.660 10 0 BCAERO C[NH2+]Cc1nnnn1-c1ccccc1OC ZINC000054744251 173399144 /nfs/dbraw/zinc/39/91/44/173399144.db2.gz FAAJLLMEUDBXKI-UHFFFAOYSA-N 1 0 219.248 0.390 10 0 BCAERO C[NH2+][C@H](CCOc1cccc(F)c1F)C(N)=O ZINC000062653489 173452293 /nfs/dbraw/zinc/45/22/93/173452293.db2.gz NPJMLRGRYRHPML-MRVPVSSYSA-N 1 0 244.241 0.807 10 0 BCAERO C[NH2+][C@H]1CCCN(C(=O)Cc2ccccn2)C1 ZINC000053202118 173460608 /nfs/dbraw/zinc/46/06/08/173460608.db2.gz WONNTBNPGZMBOQ-LBPRGKRZSA-N 1 0 233.315 0.835 10 0 BCAERO COC(=O)COc1cc(CC[NH3+])ccc1OC ZINC000037721724 173613104 /nfs/dbraw/zinc/61/31/04/173613104.db2.gz YTLDYPTWDCQZLU-UHFFFAOYSA-N 1 0 239.271 0.748 10 0 BCAERO COC(=O)C[C@@H](C)[NH2+][C@@H](C)CN1CCOCC1 ZINC000049504690 173624328 /nfs/dbraw/zinc/62/43/28/173624328.db2.gz NWNMCHKWAWQLEC-MNOVXSKESA-N 1 0 244.335 0.248 10 0 BCAERO COC(=O)[C@@H]1CCCCN1C(=O)[C@@H]1CCC[NH2+]1 ZINC000037804317 173720608 /nfs/dbraw/zinc/72/06/08/173720608.db2.gz NMHBFEFKCLMXAD-UWVGGRQHSA-N 1 0 240.303 0.293 10 0 BCAERO COC(=O)[C@H](C)C[NH+](C)C[C@@H](C)C(=O)OC ZINC000059810543 173766043 /nfs/dbraw/zinc/76/60/43/173766043.db2.gz YQIBTWOSCNEFDZ-RKDXNWHRSA-N 1 0 231.292 0.536 10 0 BCAERO COC(=O)[C@H]1CCCN1C(=O)[C@]1(C)CC[NH2+]C1 ZINC000062894874 173811082 /nfs/dbraw/zinc/81/10/82/173811082.db2.gz CTWREXDYFXTYIV-BXKDBHETSA-N 1 0 240.303 0.150 10 0 BCAERO COC(=O)c1ccc(NCC2([NH3+])CCC2)nn1 ZINC000234554808 173884931 /nfs/dbraw/zinc/88/49/31/173884931.db2.gz HQTRZYARBNDRHE-UHFFFAOYSA-N 1 0 236.275 0.557 10 0 BCAERO COC(C)(C)CC[N@@H+]1CCC[C@@](O)(C(N)=O)C1 ZINC000310104551 173935578 /nfs/dbraw/zinc/93/55/78/173935578.db2.gz ZMOKCUYDYIVZCC-LBPRGKRZSA-N 1 0 244.335 0.114 10 0 BCAERO COC1CC([NH2+][C@@H]2CCC(=O)NC2(C)C)C1 ZINC000309976418 174018515 /nfs/dbraw/zinc/01/85/15/174018515.db2.gz TVNZFFGESXVSSQ-UDNWOFFPSA-N 1 0 226.320 0.811 10 0 BCAERO COC1CCN(C(=O)[C@H]2CCC[NH2+]C2)CC1 ZINC000037266809 174027046 /nfs/dbraw/zinc/02/70/46/174027046.db2.gz LNPHXOZDIQZDHC-JTQLQIEISA-N 1 0 226.320 0.623 10 0 BCAERO COC1CCN(C(=O)[C@@](C)([NH3+])C2CC2)CC1 ZINC000037654818 174027264 /nfs/dbraw/zinc/02/72/64/174027264.db2.gz OIGYYWPXOURBGX-LBPRGKRZSA-N 1 0 226.320 0.751 10 0 BCAERO COC1CC[NH+](C2(CN)CCOCC2)CC1 ZINC000036304941 174027924 /nfs/dbraw/zinc/02/79/24/174027924.db2.gz KTKSMSCHJGUPKQ-UHFFFAOYSA-N 1 0 228.336 0.605 10 0 BCAERO COC1CC[NH+]([C@@H](CN)[C@@H]2CCOC2)CC1 ZINC000037265803 174029737 /nfs/dbraw/zinc/02/97/37/174029737.db2.gz JZQHHJAEMOMHAK-PWSUYJOCSA-N 1 0 228.336 0.461 10 0 BCAERO COC1CCN([C@@H](C[NH3+])c2cnn(C)c2)CC1 ZINC000037265937 174030028 /nfs/dbraw/zinc/03/00/28/174030028.db2.gz UUZFWEBVGJQWET-LBPRGKRZSA-N 1 0 238.335 0.531 10 0 BCAERO COC1CCN([C@@H]2COCC[C@H]2[NH3+])CC1 ZINC000036305439 174030039 /nfs/dbraw/zinc/03/00/39/174030039.db2.gz RZUNKHXYYRBPSP-GHMZBOCLSA-N 1 0 214.309 0.213 10 0 BCAERO COCC(=O)N1CC[C@H](C)C[C@H]1C[NH3+] ZINC000234614968 174043975 /nfs/dbraw/zinc/04/39/75/174043975.db2.gz ZGOKFBSAOHZIKA-IUCAKERBSA-N 1 0 200.282 0.219 10 0 BCAERO COCC(=O)Nc1c[nH]nc1[C@@H]1CCC[NH2+]C1 ZINC000095882037 174058339 /nfs/dbraw/zinc/05/83/39/174058339.db2.gz ZGEAXFZJOUTHRS-MRVPVSSYSA-N 1 0 238.291 0.462 10 0 BCAERO COCC(C)(C)C[NH2+]C[C@@H]1CN(C)CCO1 ZINC000309288060 174072607 /nfs/dbraw/zinc/07/26/07/174072607.db2.gz IOKQDTJVVBZOPZ-LLVKDONJSA-N 1 0 230.352 0.579 10 0 BCAERO COCCC(=O)N(C)[C@H]1CCC[NH2+]C1 ZINC000053731138 174122607 /nfs/dbraw/zinc/12/26/07/174122607.db2.gz WPXZSHSRJFAHTG-VIFPVBQESA-N 1 0 200.282 0.233 10 0 BCAERO COCCC(=O)N1CC[C@H](C)C[C@H]1C[NH3+] ZINC000234623687 174126835 /nfs/dbraw/zinc/12/68/35/174126835.db2.gz UCPWOLTXKRFZDI-UWVGGRQHSA-N 1 0 214.309 0.609 10 0 BCAERO COCCC(=O)NCCOC1CCC([NH3+])CC1 ZINC000104382518 174129060 /nfs/dbraw/zinc/12/90/60/174129060.db2.gz DPRTWJRUVMZRAH-UHFFFAOYSA-N 1 0 244.335 0.426 10 0 BCAERO COCCCC[NH2+][C@H]1CCC(=O)N[C@H]1C ZINC000336754005 174203500 /nfs/dbraw/zinc/20/35/00/174203500.db2.gz HFHPMURLNDHDJV-UWVGGRQHSA-N 1 0 214.309 0.670 10 0 BCAERO COCCC[N@H+](C)C[C@H](NC(C)C)C(=O)OC ZINC000062034827 174217445 /nfs/dbraw/zinc/21/74/45/174217445.db2.gz DTQBLJNYYYPAKJ-NSHDSACASA-N 1 0 246.351 0.494 10 0 BCAERO COCCC[N@H+](CCOC)C[C@H](C)C(=O)OC ZINC000042423144 174223566 /nfs/dbraw/zinc/22/35/66/174223566.db2.gz GEKXWDPZIXVZPL-NSHDSACASA-N 1 0 247.335 0.780 10 0 BCAERO COCCCNC(=O)C[NH2+][C@H](CO)CC(C)C ZINC000049282976 174237879 /nfs/dbraw/zinc/23/78/79/174237879.db2.gz ZVOLTGQJHLNQDR-NSHDSACASA-N 1 0 246.351 0.136 10 0 BCAERO COCCCNC(=O)C[NH2+]CC(C)(C)N(C)C ZINC000049855098 174237933 /nfs/dbraw/zinc/23/79/33/174237933.db2.gz CISPOENFEUSZJJ-UHFFFAOYSA-N 1 0 245.367 0.069 10 0 BCAERO COCCCNC(=O)C[NH2+][C@@H](CO)CC(C)C ZINC000049282978 174238880 /nfs/dbraw/zinc/23/88/80/174238880.db2.gz ZVOLTGQJHLNQDR-LLVKDONJSA-N 1 0 246.351 0.136 10 0 BCAERO COCCCNC(=O)[C@@H](C)[NH2+][C@H](C)COC ZINC000034938794 174243316 /nfs/dbraw/zinc/24/33/16/174243316.db2.gz VIWGMEBBSGNVDF-NXEZZACHSA-N 1 0 232.324 0.152 10 0 BCAERO COCCC[NH2+][C@H]1CCC(=O)N[C@@H]1C ZINC000336649802 174251113 /nfs/dbraw/zinc/25/11/13/174251113.db2.gz IFRKJWXNJHXTGM-BDAKNGLRSA-N 1 0 200.282 0.280 10 0 BCAERO COCCC[C@@H](C)[NH2+]CCn1cncn1 ZINC000309058786 174260965 /nfs/dbraw/zinc/26/09/65/174260965.db2.gz VPJJOMMDDYGMQD-SNVBAGLBSA-N 1 0 212.297 0.683 10 0 BCAERO COCCC[C@H](C)[NH2+][C@H]1CCCNC1=O ZINC000336764380 174264373 /nfs/dbraw/zinc/26/43/73/174264373.db2.gz PSSHVRDQJVBYBS-UWVGGRQHSA-N 1 0 214.309 0.670 10 0 BCAERO COCCN(C(=O)C[NH2+]C(C)C)[C@H](C)COC ZINC000042610257 174268378 /nfs/dbraw/zinc/26/83/78/174268378.db2.gz BNBJGANIINNVLJ-LLVKDONJSA-N 1 0 246.351 0.494 10 0 BCAERO COCCN(C(=O)[C@@H]1CCC[NH2+]1)[C@H](C)COC ZINC000042610136 174268876 /nfs/dbraw/zinc/26/88/76/174268876.db2.gz JSQCNVQDSFOFJB-MNOVXSKESA-N 1 0 244.335 0.248 10 0 BCAERO COCCN(C(=O)[C@H](C)C[NH3+])C1CC1 ZINC000044805217 174269049 /nfs/dbraw/zinc/26/90/49/174269049.db2.gz MRSHCLXXOJXLAT-MRVPVSSYSA-N 1 0 200.282 0.219 10 0 BCAERO COCCN(C)C(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000055090713 174273441 /nfs/dbraw/zinc/27/34/41/174273441.db2.gz UUKJUMVDRHSJAV-VHSXEESVSA-N 1 0 214.309 0.609 10 0 BCAERO COCCN(C)C(=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC000055090698 174273564 /nfs/dbraw/zinc/27/35/64/174273564.db2.gz ADMFLZGHUMUNQW-UWVGGRQHSA-N 1 0 214.309 0.609 10 0 BCAERO COCCN(C)C(=O)c1cccc(CC[NH3+])c1 ZINC000053662435 174274468 /nfs/dbraw/zinc/27/44/68/174274468.db2.gz VMZCCHBHPGVMSM-UHFFFAOYSA-N 1 0 236.315 0.906 10 0 BCAERO COCCN(C)CC[NH2+][C@H](C)C(=O)NC(C)C ZINC000061378957 174278560 /nfs/dbraw/zinc/27/85/60/174278560.db2.gz ALAKAFXXONWPEV-LLVKDONJSA-N 1 0 245.367 0.067 10 0 BCAERO COCC[N@H+](C)CC[C@H](NC(C)C)C(=O)OC ZINC000062524725 174279516 /nfs/dbraw/zinc/27/95/16/174279516.db2.gz CZIMNBRZXJWVEB-NSHDSACASA-N 1 0 246.351 0.494 10 0 BCAERO COCCN([C@@H](C[NH3+])[C@@H]1CCCOC1)C1CC1 ZINC000104307310 174285068 /nfs/dbraw/zinc/28/50/68/174285068.db2.gz KAJRRALHAOCLOV-YPMHNXCESA-N 1 0 242.363 0.851 10 0 BCAERO COCC[N@H+](CC(C)C)[C@@H](CN)[C@@H]1CCOC1 ZINC000042368157 174287427 /nfs/dbraw/zinc/28/74/27/174287427.db2.gz YEQDJGNIGWYRSJ-OLZOCXBDSA-N 1 0 244.379 0.955 10 0 BCAERO COCCN(CCC(N)=[NH2+])c1ccc(C)nn1 ZINC000071229244 174289997 /nfs/dbraw/zinc/28/99/97/174289997.db2.gz RTHOBGDQXKVKGE-UHFFFAOYSA-N 1 0 237.307 0.564 10 0 BCAERO COCC[N@H+](CCCC(=O)OC)[C@H](C)COC ZINC000042608359 174291232 /nfs/dbraw/zinc/29/12/32/174291232.db2.gz DEWDPVREXUOXLP-LLVKDONJSA-N 1 0 247.335 0.923 10 0 BCAERO COCC[NH+](CCOC)C[C@H]1CCC[C@H]1[NH3+] ZINC000053878301 174296539 /nfs/dbraw/zinc/29/65/39/174296539.db2.gz PZWOQWNWXMYPAW-VXGBXAGGSA-N 1 0 230.352 0.709 10 0 BCAERO COCCN(Cc1ccc(C)o1)C(=O)[C@H](C)[NH3+] ZINC000157435676 174299309 /nfs/dbraw/zinc/29/93/09/174299309.db2.gz CYNAXNOLRGHKMC-JTQLQIEISA-N 1 0 240.303 0.910 10 0 BCAERO COCCN(Cc1ccccc1C)C(=O)C[NH3+] ZINC000032090048 174299560 /nfs/dbraw/zinc/29/95/60/174299560.db2.gz QRZWMDCYQRJKSB-UHFFFAOYSA-N 1 0 236.315 0.929 10 0 BCAERO COCC[N@@H+]1CCN(Cc2c[nH]cn2)C[C@H]1C ZINC000179509799 174309500 /nfs/dbraw/zinc/30/95/00/174309500.db2.gz VLRIEGNNUTURFF-LLVKDONJSA-N 1 0 238.335 0.562 10 0 BCAERO COCCN1C[C@@H](C(C)C)[NH2+]C[C@H]1C ZINC000082926452 174317253 /nfs/dbraw/zinc/31/72/53/174317253.db2.gz ZTUJWBMXZKXQGK-MNOVXSKESA-N 1 0 200.326 0.951 10 0 BCAERO COCCNC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC000040457778 174325589 /nfs/dbraw/zinc/32/55/89/174325589.db2.gz SGDPZDWNJQYOHW-NSHDSACASA-N 1 0 238.287 0.025 10 0 BCAERO COCCNC(=O)[C@H](C)[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000035735708 174326594 /nfs/dbraw/zinc/32/65/94/174326594.db2.gz NHODVXMBMVFWHX-VWYCJHECSA-N 1 0 244.335 0.295 10 0 BCAERO COCCNC(=O)[C@H](C)[NH2+]CCC(C)C ZINC000034937570 174326642 /nfs/dbraw/zinc/32/66/42/174326642.db2.gz PYINCNLWYRJPGM-JTQLQIEISA-N 1 0 216.325 0.773 10 0 BCAERO COCCNC(=O)[C@H](C)[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000035735709 174327053 /nfs/dbraw/zinc/32/70/53/174327053.db2.gz NHODVXMBMVFWHX-GARJFASQSA-N 1 0 244.335 0.295 10 0 BCAERO COCC[NH2+]CCNC(=O)OC(C)(C)C ZINC000039094059 174332350 /nfs/dbraw/zinc/33/23/50/174332350.db2.gz YXPYESCISOJFEQ-UHFFFAOYSA-N 1 0 218.297 0.747 10 0 BCAERO COCC[NH2+]CCN(C)CCc1ccccn1 ZINC000053341656 174332662 /nfs/dbraw/zinc/33/26/62/174332662.db2.gz ALPWNLSIVOZINB-UHFFFAOYSA-N 1 0 237.347 0.792 10 0 BCAERO COCC[NH2+]C[C@H](O)COc1ccc(F)cc1 ZINC000032100981 174334260 /nfs/dbraw/zinc/33/42/60/174334260.db2.gz WMASSDRSIPWAGG-NSHDSACASA-N 1 0 243.278 0.801 10 0 BCAERO COCC[NH2+]C[C@@H]1CCCCN1CC(C)(C)O ZINC000104421618 174334765 /nfs/dbraw/zinc/33/47/65/174334765.db2.gz XGXTZLFILCRTBO-LBPRGKRZSA-N 1 0 244.379 0.848 10 0 BCAERO COCC[NH2+][C@@H](C)C(=O)NCC(C)C ZINC000034937530 174336948 /nfs/dbraw/zinc/33/69/48/174336948.db2.gz OWAJBXMCUVHKTH-VIFPVBQESA-N 1 0 202.298 0.383 10 0 BCAERO COCCNS(=O)(=O)c1ccccc1C[NH3+] ZINC000022178519 174337424 /nfs/dbraw/zinc/33/74/24/174337424.db2.gz REJXMQUQMNZHTF-UHFFFAOYSA-N 1 0 244.316 0.070 10 0 BCAERO COCCNc1ccnc(N2CC[C@@H]([NH3+])C2)n1 ZINC000057330440 174341725 /nfs/dbraw/zinc/34/17/25/174341725.db2.gz HQVZHCLQDYHTFG-SECBINFHSA-N 1 0 237.307 0.072 10 0 BCAERO COCCOCC[N@H+](C)[C@H]1CCC[C@@H]1O ZINC000337371711 174352549 /nfs/dbraw/zinc/35/25/49/174352549.db2.gz WHAVGXUSQROXDO-QWRGUYRKSA-N 1 0 217.309 0.495 10 0 BCAERO COCCOCCN1CC[C@H](C[NH2+]C(C)C)C1 ZINC000053033894 174354650 /nfs/dbraw/zinc/35/46/50/174354650.db2.gz GUYGMAADTZPKRA-CYBMUJFWSA-N 1 0 244.379 0.969 10 0 BCAERO COCCOCCN1CC[C@H](C)C[C@@H]1C[NH3+] ZINC000226971975 174355454 /nfs/dbraw/zinc/35/54/54/174355454.db2.gz VBGIBCQFXMHHJC-NWDGAFQWSA-N 1 0 230.352 0.709 10 0 BCAERO COCCOc1ccc([C@H]([NH3+])C(N)=O)cc1 ZINC000072232783 174369573 /nfs/dbraw/zinc/36/95/73/174369573.db2.gz XWTUKNBXROTQBA-JTQLQIEISA-N 1 0 224.260 0.197 10 0 BCAERO COCC[C@@H](C)[NH2+]C[C@H](C)N1CCOCC1 ZINC000123508764 174383121 /nfs/dbraw/zinc/38/31/21/174383121.db2.gz HCOPHNRASIYCEE-NEPJUHHUSA-N 1 0 230.352 0.722 10 0 BCAERO COCC[C@@H](CO)[NH2+]Cc1ccnc(C)n1 ZINC000300797992 174389480 /nfs/dbraw/zinc/38/94/80/174389480.db2.gz DJVQBBUGVBKVES-NSHDSACASA-N 1 0 225.292 0.272 10 0 BCAERO COCC[C@@H]([NH3+])C(=O)N1CCCC[C@@H]1CCO ZINC000052791055 174392409 /nfs/dbraw/zinc/39/24/09/174392409.db2.gz QTEZNMOFTLSSKH-GHMZBOCLSA-N 1 0 244.335 0.114 10 0 BCAERO COCC[C@@H]([NH3+])c1nnc2ccccn21 ZINC000052785324 174392727 /nfs/dbraw/zinc/39/27/27/174392727.db2.gz VXBSNTIYTWAMGL-MRVPVSSYSA-N 1 0 206.249 0.766 10 0 BCAERO COC[C@@H](C)N(C)C(=O)C1(C)CC[NH2+]CC1 ZINC000062840712 174445243 /nfs/dbraw/zinc/44/52/43/174445243.db2.gz QPEXUIOQYFJNPZ-SNVBAGLBSA-N 1 0 228.336 0.869 10 0 BCAERO COC[C@H](C)C(=O)NC1(C[NH3+])CCCC1 ZINC000154330600 174526421 /nfs/dbraw/zinc/52/64/21/174526421.db2.gz FSGAAWMSAXNNPO-VIFPVBQESA-N 1 0 214.309 0.657 10 0 BCAERO COC[C@H](C)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000237233426 174527768 /nfs/dbraw/zinc/52/77/68/174527768.db2.gz KFTSBASUPMIQOO-DTWKUNHWSA-N 1 0 200.282 0.137 10 0 BCAERO COC[C@H](C)CNC(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000055090212 174531572 /nfs/dbraw/zinc/53/15/72/174531572.db2.gz SUUYVWZOFPCXJO-MXWKQRLJSA-N 1 0 228.336 0.903 10 0 BCAERO COC[C@H](C)N(C)C(=O)[C@H]1CCC[NH2+]1 ZINC000037653173 174536117 /nfs/dbraw/zinc/53/61/17/174536117.db2.gz GIQFCBJVOZRTCN-DTWKUNHWSA-N 1 0 200.282 0.232 10 0 BCAERO CO[C@@H]1CN(CC(C)(C)[NH3+])C[C@H]1OC ZINC000234783669 174767107 /nfs/dbraw/zinc/76/71/07/174767107.db2.gz BZUNNJJXNUTSDX-RKDXNWHRSA-N 1 0 202.298 0.069 10 0 BCAERO CO[C@@H]1[C@H](C)[C@@H]([NH2+][C@@H](C)CC(N)=O)C1(C)C ZINC000309474552 174784192 /nfs/dbraw/zinc/78/41/92/174784192.db2.gz RMNALISPGVDCNO-SCVMZPAESA-N 1 0 228.336 0.899 10 0 BCAERO CO[C@H]1C[NH2+][C@@H](CN2CCCSCC2)C1 ZINC000042444888 174899540 /nfs/dbraw/zinc/89/95/40/174899540.db2.gz FQZFPZJINTZPNY-GHMZBOCLSA-N 1 0 230.377 0.802 10 0 BCAERO CO[C@H]1C[NH2+]C[C@@H]1Nc1nc(C)cnc1C ZINC000036268218 174899566 /nfs/dbraw/zinc/89/95/66/174899566.db2.gz ZZNOKWYQKYVMLD-UWVGGRQHSA-N 1 0 222.292 0.492 10 0 BCAERO CO[C@H]1C[NH2+]C[C@H]1Nc1nccc(C)n1 ZINC000061859584 174899613 /nfs/dbraw/zinc/89/96/13/174899613.db2.gz CHHGDASESHCTNV-BDAKNGLRSA-N 1 0 208.265 0.184 10 0 BCAERO COc1cc([C@@H]([NH3+])CO)c(Cl)cc1N ZINC000072198311 175013759 /nfs/dbraw/zinc/01/37/59/175013759.db2.gz ATRBRDRWIQGUGH-QMMMGPOBSA-N 1 0 216.668 0.923 10 0 BCAERO COc1cc(NCC2([NH3+])CCC2)ncn1 ZINC000234972909 175001678 /nfs/dbraw/zinc/00/16/78/175001678.db2.gz IHGAGXMKAITSHQ-UHFFFAOYSA-N 1 0 208.265 0.779 10 0 BCAERO COc1cc(NCC[NH+](C)C)nc(C)n1 ZINC000082482543 175002892 /nfs/dbraw/zinc/00/28/92/175002892.db2.gz YMSNLLSDCFFBGH-UHFFFAOYSA-N 1 0 210.281 0.767 10 0 BCAERO COc1cc(OC)cc(OCC[C@H]([NH3+])CO)c1 ZINC000071550524 175010255 /nfs/dbraw/zinc/01/02/55/175010255.db2.gz JCCCOIQGUYLTMO-VIFPVBQESA-N 1 0 241.287 0.792 10 0 BCAERO COc1cc(OC)nc(N2CCC[C@@H]2C[NH3+])n1 ZINC000135012039 175011252 /nfs/dbraw/zinc/01/12/52/175011252.db2.gz AJQSDWFQIGJGCO-MRVPVSSYSA-N 1 0 238.291 0.421 10 0 BCAERO COc1cc(OC)nc(NCC2([NH3+])CCC2)n1 ZINC000234948057 175011427 /nfs/dbraw/zinc/01/14/27/175011427.db2.gz YDFNAABJQNVLTB-UHFFFAOYSA-N 1 0 238.291 0.787 10 0 BCAERO COc1cc([C@@H](N)C[NH3+])c(F)cc1O ZINC000072200562 175013856 /nfs/dbraw/zinc/01/38/56/175013856.db2.gz MNFYRBCIQXDHFY-ZETCQYMHSA-N 1 0 200.213 0.498 10 0 BCAERO COc1cc([C@@H]([NH3+])CO)cc(F)c1O ZINC000072197891 175014431 /nfs/dbraw/zinc/01/44/31/175014431.db2.gz QWJPPSCBECXHOU-ZETCQYMHSA-N 1 0 201.197 0.532 10 0 BCAERO COc1cc([C@H]([NH3+])CO)cc(F)c1F ZINC000072197927 175016643 /nfs/dbraw/zinc/01/66/43/175016643.db2.gz TVUZXMVQSFIRRH-SSDOTTSWSA-N 1 0 203.188 0.966 10 0 BCAERO COc1cc([C@H](N)C[NH3+])c(Cl)cc1N ZINC000072200915 175016506 /nfs/dbraw/zinc/01/65/06/175016506.db2.gz GGZGRKITTKFGLA-MRVPVSSYSA-N 1 0 215.684 0.889 10 0 BCAERO COc1cc([C@H]([NH2+]C2CC2)C(N)=O)ccc1O ZINC000037946665 175016601 /nfs/dbraw/zinc/01/66/01/175016601.db2.gz SOPOTNYZBLEPQV-NSHDSACASA-N 1 0 236.271 0.679 10 0 BCAERO COc1cc([C@H](N)C[NH3+])cc2c1OCO2 ZINC000044469418 175017201 /nfs/dbraw/zinc/01/72/01/175017201.db2.gz YYHAKWOOLGMETR-SSDOTTSWSA-N 1 0 210.233 0.382 10 0 BCAERO COc1ccc(-c2nc(CC[NH3+])cc(=O)[nH]2)cc1 ZINC000058055734 175039707 /nfs/dbraw/zinc/03/97/07/175039707.db2.gz AZICNUXXAZPLTK-UHFFFAOYSA-N 1 0 245.282 0.947 10 0 BCAERO COc1ccc(C(=O)N2CC[NH2+]CC2)c(N)c1 ZINC000082653352 175056866 /nfs/dbraw/zinc/05/68/66/175056866.db2.gz GDMQXYWBJNPUMV-UHFFFAOYSA-N 1 0 235.287 0.323 10 0 BCAERO COc1ccc(C(=O)N[C@@H]2C[C@H]2[NH3+])cc1F ZINC000061669254 175063163 /nfs/dbraw/zinc/06/31/63/175063163.db2.gz MRRVYIQPCRMUID-RKDXNWHRSA-N 1 0 224.235 0.664 10 0 BCAERO COc1ccc(C2(C[NH3+])OCCO2)cc1OC ZINC000049829578 175084725 /nfs/dbraw/zinc/08/47/25/175084725.db2.gz QUGMJWLSZMHHNV-UHFFFAOYSA-N 1 0 239.271 0.862 10 0 BCAERO COc1ccc(CC[NH2+]C[C@H](O)CO)cc1 ZINC000037851990 175091241 /nfs/dbraw/zinc/09/12/41/175091241.db2.gz MTYUMENWMSGISI-NSHDSACASA-N 1 0 225.288 0.181 10 0 BCAERO COc1ccc(CC[C@H](O)C[NH3+])cc1OC ZINC000071532325 175093934 /nfs/dbraw/zinc/09/39/34/175093934.db2.gz WUQMOGKQKBTUOL-JTQLQIEISA-N 1 0 225.288 0.956 10 0 BCAERO COc1ccc(N)c(C(=O)N[C@@H]2CC[N@H+](C)C2)c1 ZINC000042543635 175137356 /nfs/dbraw/zinc/13/73/56/175137356.db2.gz KVFRKCDFCXKVJG-SECBINFHSA-N 1 0 249.314 0.711 10 0 BCAERO COc1ccc(N2C[C@H]3C[C@@H]2C[NH2+]3)cn1 ZINC000028708892 175140143 /nfs/dbraw/zinc/14/01/43/175140143.db2.gz HNRIHCBMMRMJDG-PSASIEDQSA-N 1 0 205.261 0.641 10 0 BCAERO COc1ccc(NC(=O)[C@H]2CCC[NH2+]2)cn1 ZINC000019409046 175146952 /nfs/dbraw/zinc/14/69/52/175146952.db2.gz ZKVOVJSLIFMLJY-SECBINFHSA-N 1 0 221.260 0.781 10 0 BCAERO COc1ccc(OCC[NH2+]CCO)cc1 ZINC000032024148 175172551 /nfs/dbraw/zinc/17/25/51/175172551.db2.gz FJDYOTIBZMABLA-UHFFFAOYSA-N 1 0 211.261 0.656 10 0 BCAERO COc1ccc(S(C)(=O)=O)cc1C[NH3+] ZINC000082642815 175174559 /nfs/dbraw/zinc/17/45/59/175174559.db2.gz VLUIRCWIGBEGDU-UHFFFAOYSA-N 1 0 215.274 0.557 10 0 BCAERO COc1ccc([C@@H](O)[C@@H]([NH3+])CO)cc1F ZINC000077306908 175181350 /nfs/dbraw/zinc/18/13/50/175181350.db2.gz CFRPKDAVZKYSMU-WCBMZHEXSA-N 1 0 215.224 0.187 10 0 BCAERO COc1ccc2c(c1)nc([C@H](O)C[NH3+])n2C ZINC000076166662 175219701 /nfs/dbraw/zinc/21/97/01/175219701.db2.gz GRRSIIXXZFKJDB-SNVBAGLBSA-N 1 0 221.260 0.574 10 0 BCAERO COc1cccc(-n2nnnc2[C@@H](C)[NH3+])c1 ZINC000062494009 175239904 /nfs/dbraw/zinc/23/99/04/175239904.db2.gz RAIPFKVDDMQLKI-SSDOTTSWSA-N 1 0 219.248 0.691 10 0 BCAERO COc1cccc(CCN2C[C@@H]([NH3+])CC2=O)c1 ZINC000057954272 175251690 /nfs/dbraw/zinc/25/16/90/175251690.db2.gz WMMXERZJSXYBTB-NSHDSACASA-N 1 0 234.299 0.797 10 0 BCAERO COc1cccc(CN2C[C@H]([NH3+])CC2=O)c1 ZINC000038078082 175261356 /nfs/dbraw/zinc/26/13/56/175261356.db2.gz UXTAERNYONKXJL-SNVBAGLBSA-N 1 0 220.272 0.755 10 0 BCAERO COc1cccc(N2CC[C@H]([NH3+])C2=O)c1 ZINC000049647923 175275698 /nfs/dbraw/zinc/27/56/98/175275698.db2.gz BKCMPPXIYPXHJH-JTQLQIEISA-N 1 0 206.245 0.759 10 0 BCAERO COc1cccc(NC(=O)C[NH2+][C@H](C)CO)c1 ZINC000035604223 175276510 /nfs/dbraw/zinc/27/65/10/175276510.db2.gz HZQXSVLAWAJCHV-SECBINFHSA-N 1 0 238.287 0.604 10 0 BCAERO COc1cccc(OC(=O)NCC[NH3+])c1OC ZINC000071550037 175280603 /nfs/dbraw/zinc/28/06/03/175280603.db2.gz BRJDKMINZBBMBL-UHFFFAOYSA-N 1 0 240.259 0.751 10 0 BCAERO COc1cccc(OC)c1OCC[C@@H](O)C[NH3+] ZINC000019668596 175282260 /nfs/dbraw/zinc/28/22/60/175282260.db2.gz BEQCONPYBYIPJA-SECBINFHSA-N 1 0 241.287 0.792 10 0 BCAERO COc1cccc(OC)c1OCC[C@H](O)C[NH3+] ZINC000019668598 175282653 /nfs/dbraw/zinc/28/26/53/175282653.db2.gz BEQCONPYBYIPJA-VIFPVBQESA-N 1 0 241.287 0.792 10 0 BCAERO COc1cccc(OCCN(C)C(=O)C[NH3+])c1 ZINC000041280199 175283649 /nfs/dbraw/zinc/28/36/49/175283649.db2.gz NUZBIHBOOOPIIK-UHFFFAOYSA-N 1 0 238.287 0.491 10 0 BCAERO COc1cccc([C@@H](O)C[NH2+]CCO)c1 ZINC000071695990 175289023 /nfs/dbraw/zinc/28/90/23/175289023.db2.gz WEMPXSFGGQJEGC-NSHDSACASA-N 1 0 211.261 0.311 10 0 BCAERO COc1cccc([C@H]([NH3+])Cn2cncn2)c1 ZINC000022566682 175294577 /nfs/dbraw/zinc/29/45/77/175294577.db2.gz QMFPCKISVYFWGX-LLVKDONJSA-N 1 0 218.260 0.987 10 0 BCAERO COc1cccc([C@H]2C[NH2+]CCN2)c1OC ZINC000095691595 175296048 /nfs/dbraw/zinc/29/60/48/175296048.db2.gz SNDXTRKREWUJQY-SNVBAGLBSA-N 1 0 222.288 0.938 10 0 BCAERO COc1ccccc1-n1nnnc1[C@@H](C)[NH3+] ZINC000062494069 175314470 /nfs/dbraw/zinc/31/44/70/175314470.db2.gz NIZLYBFUKSSCBH-SSDOTTSWSA-N 1 0 219.248 0.691 10 0 BCAERO COc1ccccc1CCS(=O)(=O)CC[NH3+] ZINC000057955765 175323447 /nfs/dbraw/zinc/32/34/47/175323447.db2.gz XBUSXUWBTAZGJB-UHFFFAOYSA-N 1 0 243.328 0.611 10 0 BCAERO COc1ccccc1N(C)S(=O)(=O)CC[NH3+] ZINC000020261630 175335745 /nfs/dbraw/zinc/33/57/45/175335745.db2.gz QMVAHHQNMHKESM-UHFFFAOYSA-N 1 0 244.316 0.420 10 0 BCAERO COc1ccccc1S(=O)(=O)N[C@@H]1C[C@H]1[NH3+] ZINC000036264717 175342596 /nfs/dbraw/zinc/34/25/96/175342596.db2.gz AAONEIAPOBHSAQ-HTQZYQBOSA-N 1 0 242.300 0.073 10 0 BCAERO COc1ccccc1S(=O)(=O)N[C@H]1C[C@@H]1[NH3+] ZINC000036264716 175342727 /nfs/dbraw/zinc/34/27/27/175342727.db2.gz AAONEIAPOBHSAQ-YUMQZZPRSA-N 1 0 242.300 0.073 10 0 BCAERO COc1ccccc1[C@H]([NH3+])Cn1cccnc1=O ZINC000019257017 175352998 /nfs/dbraw/zinc/35/29/98/175352998.db2.gz ATIUIFVPJDBGIJ-LLVKDONJSA-N 1 0 245.282 0.952 10 0 BCAERO COc1ccnc(OC[C@H]2CCC[NH2+]C2)n1 ZINC000051883158 175368243 /nfs/dbraw/zinc/36/82/43/175368243.db2.gz AMMDKFSEABSKJF-VIFPVBQESA-N 1 0 223.276 0.864 10 0 BCAERO COc1cncc(N2C[C@H]3C[NH2+]C[C@H]32)c1 ZINC000028865870 175386825 /nfs/dbraw/zinc/38/68/25/175386825.db2.gz IBEGQZNIXSCPIN-LDYMZIIASA-N 1 0 205.261 0.498 10 0 BCAERO COc1nc(C)c(C[NH2+]CCO)s1 ZINC000045205496 175389068 /nfs/dbraw/zinc/38/90/68/175389068.db2.gz ANQKDSOUXLZGEG-UHFFFAOYSA-N 1 0 202.279 0.542 10 0 BCAERO CCn1ccnc1Cn1cc(CCCC[NH3+])nn1 ZINC000228376056 487630557 /nfs/dbraw/zinc/63/05/57/487630557.db2.gz QGCNGBMQBSJPOB-UHFFFAOYSA-N 1 0 248.334 0.824 10 0 BCAERO Cc1ccnc(N2CCO[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000228374433 487630588 /nfs/dbraw/zinc/63/05/88/487630588.db2.gz IGIOJCWEOUVRGP-WDEREUQCSA-N 1 0 221.304 0.942 10 0 BCAERO CS(=O)(=O)N1CCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000037916315 175426927 /nfs/dbraw/zinc/42/69/27/175426927.db2.gz QMYXXMMWUFRGOU-NXEZZACHSA-N 1 0 232.349 0.410 10 0 BCAERO CS(=O)(=O)[C@H]1CCC[C@@H](N2CC[NH2+]CC2)C1 ZINC000074942546 175435681 /nfs/dbraw/zinc/43/56/81/175435681.db2.gz PHOJRAQCSDJSFX-MNOVXSKESA-N 1 0 246.376 0.247 10 0 BCAERO CS(=O)(=O)c1ccc(CCOCC[NH3+])cc1 ZINC000077393882 175438005 /nfs/dbraw/zinc/43/80/05/175438005.db2.gz OKWYUANEVGWZOM-UHFFFAOYSA-N 1 0 243.328 0.608 10 0 BCAERO Cc1cc(N2CCO[C@@H]([C@H](C)[NH3+])C2)nc(C)n1 ZINC000228376487 487630667 /nfs/dbraw/zinc/63/06/67/487630667.db2.gz KKINFMHLDANQFY-GXSJLCMTSA-N 1 0 236.319 0.646 10 0 BCAERO C[C@@H](C[NH3+])C(=O)N[C@H](CO)Cc1ccccc1 ZINC000063220969 175706403 /nfs/dbraw/zinc/70/64/03/175706403.db2.gz TXKRIWKNNVHRCD-JQWIXIFHSA-N 1 0 236.315 0.301 10 0 BCAERO C[C@@H](C[NH3+])CN(C)c1nnnn1-c1ccccc1 ZINC000042455650 175706733 /nfs/dbraw/zinc/70/67/33/175706733.db2.gz DCBZCAYXVDWALF-JTQLQIEISA-N 1 0 246.318 0.693 10 0 BCAERO C[C@@H](CO)NC(=O)[C@](C)([NH3+])c1ccccc1 ZINC000052881523 175755076 /nfs/dbraw/zinc/75/50/76/175755076.db2.gz CWKBWWXLXQKLBH-JOYOIKCWSA-N 1 0 222.288 0.358 10 0 BCAERO C[C@@H]([NH3+])CC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000037607439 175803241 /nfs/dbraw/zinc/80/32/41/175803241.db2.gz CDCKBWUJUFHUSR-ZCFIWIBFSA-N 1 0 234.259 0.532 10 0 BCAERO C[C@@H]([NH3+])Cn1ncc(=O)c2ccccc21 ZINC000037507080 175808888 /nfs/dbraw/zinc/80/88/88/175808888.db2.gz VFFAMDUPXDHHAJ-MRVPVSSYSA-N 1 0 203.245 0.744 10 0 BCAERO C[C@@H](OCC(F)(F)F)C(=O)N1CC[NH2+]CC1 ZINC000019485701 176002333 /nfs/dbraw/zinc/00/23/33/176002333.db2.gz MAFSMILGFQODCH-SSDOTTSWSA-N 1 0 240.225 0.386 10 0 BCAERO CC(C)NC(=O)CCNC(=O)C[C@H]([NH3+])C(C)C ZINC000228383020 487632321 /nfs/dbraw/zinc/63/23/21/487632321.db2.gz JEKSMKQUSJTQRW-JTQLQIEISA-N 1 0 243.351 0.391 10 0 BCAERO C[C@@H](O[C@H]1CC[NH2+]C1)C(=O)N1CCCC1 ZINC000051782154 176003860 /nfs/dbraw/zinc/00/38/60/176003860.db2.gz PDUHMNPJHDCEAF-ZJUUUORDSA-N 1 0 212.293 0.376 10 0 BCAERO C[C@@H]([C@H]1CCC[NH2+]C1)N1C(=O)CCCC1=O ZINC000035691746 176012278 /nfs/dbraw/zinc/01/22/78/176012278.db2.gz VOOASFDSTQCJBS-UWVGGRQHSA-N 1 0 224.304 0.914 10 0 BCAERO C[C@@H]([C@H]1CCC[NH2+]C1)N1CCCS1(=O)=O ZINC000035688593 176012477 /nfs/dbraw/zinc/01/24/77/176012477.db2.gz CNUZMNWDMUMCPT-UWVGGRQHSA-N 1 0 232.349 0.410 10 0 BCAERO C[C@@H](c1cccs1)n1nnnc1C[NH3+] ZINC000054746173 176034595 /nfs/dbraw/zinc/03/45/95/176034595.db2.gz AACNTJMLWPPYDQ-LURJTMIESA-N 1 0 209.278 0.803 10 0 BCAERO C[C@@H](c1ccncc1)N1C[C@H]([NH3+])CC1=O ZINC000043531689 176036102 /nfs/dbraw/zinc/03/61/02/176036102.db2.gz OCHVFGUFEZSTJL-WCBMZHEXSA-N 1 0 205.261 0.702 10 0 BCAERO C[C@@H](c1ccsc1)n1nnnc1C[NH3+] ZINC000061367338 176036351 /nfs/dbraw/zinc/03/63/51/176036351.db2.gz MWPWVNCJEMNBJP-LURJTMIESA-N 1 0 209.278 0.803 10 0 BCAERO C[C@@H](c1cnccn1)[N@@H+]1CCC[C@@H]1CO ZINC000095089097 176036902 /nfs/dbraw/zinc/03/69/02/176036902.db2.gz MYUHHXZELANAQP-VHSXEESVSA-N 1 0 207.277 0.994 10 0 BCAERO CC(C)[C@@H]([NH3+])CC(=O)NCCCCO ZINC000232681568 487632473 /nfs/dbraw/zinc/63/24/73/487632473.db2.gz XQMCYTXRGQEMBR-VIFPVBQESA-N 1 0 202.298 0.249 10 0 BCAERO C[C@@H](c1nnc2ccccn21)N1CC[NH2+]CC1 ZINC000051640121 176039852 /nfs/dbraw/zinc/03/98/52/176039852.db2.gz RIGQPSXPKKFINU-JTQLQIEISA-N 1 0 231.303 0.696 10 0 BCAERO C[C@@H]1C(=O)NCCC[N@H+]1C[C@@H]1CCCO1 ZINC000189269532 176045081 /nfs/dbraw/zinc/04/50/81/176045081.db2.gz LNQFJZDZJYXNJZ-ZJUUUORDSA-N 1 0 212.293 0.376 10 0 BCAERO C[C@@H]1CC(=O)N(C[C@H]2CCCC[NH2+]2)C1=O ZINC000038051911 176048072 /nfs/dbraw/zinc/04/80/72/176048072.db2.gz DCBOANCCPBRFAZ-RKDXNWHRSA-N 1 0 210.277 0.524 10 0 BCAERO C[C@@H]1CC(=O)N(CC[C@H]2CCC[NH2+]C2)C1=O ZINC000104795875 176048107 /nfs/dbraw/zinc/04/81/07/176048107.db2.gz BAWREVRVJAKYSV-NXEZZACHSA-N 1 0 224.304 0.771 10 0 BCAERO C[C@@H]1CC(=O)N(CCC[C@@H]2CCC[NH2+]2)C1=O ZINC000105208621 176048420 /nfs/dbraw/zinc/04/84/20/176048420.db2.gz DVDYPJPWUCBOJH-ZJUUUORDSA-N 1 0 224.304 0.914 10 0 BCAERO C[C@H]([C@@H]1CCC[NH2+]C1)N1C(=O)C[C@@H](C)C1=O ZINC000038051925 176049531 /nfs/dbraw/zinc/04/95/31/176049531.db2.gz LXAFIMXVHBNCES-OPRDCNLKSA-N 1 0 224.304 0.770 10 0 BCAERO C[C@@H]1CCCC[N@@H+]1CCCNCC(N)=O ZINC000020047803 176070652 /nfs/dbraw/zinc/07/06/52/176070652.db2.gz UESQRIXKSNNLMX-SNVBAGLBSA-N 1 0 213.325 0.326 10 0 BCAERO C[C@@H]1CCC[C@@H](C(=O)NCCn2ccnc2)[NH2+]1 ZINC000042542800 176112413 /nfs/dbraw/zinc/11/24/13/176112413.db2.gz FIMZEAPGUBTAHH-MNOVXSKESA-N 1 0 236.319 0.530 10 0 BCAERO C[C@@H]1CCC[C@@H](C(=O)N2CCCOCC2)[NH2+]1 ZINC000061933204 176112536 /nfs/dbraw/zinc/11/25/36/176112536.db2.gz YHBMGMDOZPPEOF-MNOVXSKESA-N 1 0 226.320 0.766 10 0 BCAERO C[C@@H]1CCC[C@@H](CN2CCCNC2=O)[NH2+]1 ZINC000051574907 176117821 /nfs/dbraw/zinc/11/78/21/176117821.db2.gz VGHNEQWJQIEXQS-ZJUUUORDSA-N 1 0 211.309 0.932 10 0 BCAERO C[C@@H]1CCC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC000037255663 176123157 /nfs/dbraw/zinc/12/31/57/176123157.db2.gz LVIWAKNZAGRMOD-HTQZYQBOSA-N 1 0 213.281 0.350 10 0 BCAERO C[C@@H]1CCC[C@H](C(=O)NCCn2cccn2)[NH2+]1 ZINC000042542766 176135631 /nfs/dbraw/zinc/13/56/31/176135631.db2.gz KDDZZMASKQVANR-GHMZBOCLSA-N 1 0 236.319 0.530 10 0 BCAERO C[C@@H]1CCC[C@H](S(=O)(=O)CC[NH3+])C1 ZINC000054688614 176146340 /nfs/dbraw/zinc/14/63/40/176146340.db2.gz FQOIEEXUCPNWLM-BDAKNGLRSA-N 1 0 205.323 0.939 10 0 BCAERO C[C@@H]1CCC[C@](C[NH3+])(N2C(=O)COCC2=O)C1 ZINC000104310175 176151205 /nfs/dbraw/zinc/15/12/05/176151205.db2.gz QBABCCYTVJPAMT-SKDRFNHKSA-N 1 0 240.303 0.279 10 0 BCAERO C[C@@H]1CCN(C(=O)[C@@H]2CCCOC2)[C@@H](C[NH3+])C1 ZINC000235312601 176160662 /nfs/dbraw/zinc/16/06/62/176160662.db2.gz PKSMIQWYTCQCEA-IJLUTSLNSA-N 1 0 240.347 0.999 10 0 BCAERO C[C@@H]1CCN(CCC(=O)NC2CC2)[C@H](C[NH3+])C1 ZINC000104419632 176168531 /nfs/dbraw/zinc/16/85/31/176168531.db2.gz FKXKVLHNYQMDHP-PWSUYJOCSA-N 1 0 239.363 0.714 10 0 BCAERO C[C@@H]1CCN([C@]2(C)CCS(=O)(=O)C2)CC[NH2+]1 ZINC000044932728 176181010 /nfs/dbraw/zinc/18/10/10/176181010.db2.gz MBJAAGWOYAXRIZ-GHMZBOCLSA-N 1 0 246.376 0.247 10 0 BCAERO C[C@@H]1CC[NH2+][C@@H](C(=O)N2CC[C@H]([NH+](C)C)C2)C1 ZINC000127184128 176186251 /nfs/dbraw/zinc/18/62/51/176186251.db2.gz MVDOVQDIXOGFIL-GRYCIOLGSA-N 1 0 239.363 0.537 10 0 BCAERO C[C@@H]1CC[C@@H](CNC(=O)NC2CC2)C[NH2+]1 ZINC000062037381 176205333 /nfs/dbraw/zinc/20/53/33/176205333.db2.gz DCOXBGQUYJISQA-RKDXNWHRSA-N 1 0 211.309 0.836 10 0 BCAERO C[C@@H]1CC[C@@H](OCC(=O)N2CCCC2)C[NH2+]1 ZINC000050211483 176215292 /nfs/dbraw/zinc/21/52/92/176215292.db2.gz MCZVLRPWUXXMDB-GHMZBOCLSA-N 1 0 226.320 0.766 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)N2CCN(C)CC2)C[C@@H]1[NH3+] ZINC000055122071 176219494 /nfs/dbraw/zinc/21/94/94/176219494.db2.gz QZBINSZTMQHTII-WOPDTQHZSA-N 1 0 239.363 0.524 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)N2CCN(C)CC2)C[NH2+]1 ZINC000019505393 176220108 /nfs/dbraw/zinc/22/01/08/176220108.db2.gz NVOARLXWJDARDJ-MNOVXSKESA-N 1 0 225.336 0.149 10 0 BCAERO C[C@@H]1CN(C(=O)C(C)(C)[NH3+])[C@H](C)CO1 ZINC000040920749 176242071 /nfs/dbraw/zinc/24/20/71/176242071.db2.gz UGBPYZGWLOJIKP-HTQZYQBOSA-N 1 0 200.282 0.360 10 0 BCAERO C[C@@H]1CN(C(=O)C[C@H]2CCC[NH2+]C2)CCO1 ZINC000054290520 176248003 /nfs/dbraw/zinc/24/80/03/176248003.db2.gz UUFUAHOKGMCIJR-GHMZBOCLSA-N 1 0 226.320 0.623 10 0 BCAERO C[C@@H]1CN(C(=O)C[C@@H]2CCCCO2)C[C@@H]1[NH3+] ZINC000235333065 176248047 /nfs/dbraw/zinc/24/80/47/176248047.db2.gz VLUSOVIIOQBATR-VWYCJHECSA-N 1 0 226.320 0.751 10 0 BCAERO C[C@@H]1CN(C(=O)C[C@H]2CCCC[NH2+]2)CCO1 ZINC000020597497 176248333 /nfs/dbraw/zinc/24/83/33/176248333.db2.gz HXEOFRFGONUJKX-GHMZBOCLSA-N 1 0 226.320 0.766 10 0 BCAERO C[C@@H]1CN(C(=O)N2CC[NH2+]CC2)[C@H](C)CO1 ZINC000035783721 176250216 /nfs/dbraw/zinc/25/02/16/176250216.db2.gz LKGIJBICENMZQY-NXEZZACHSA-N 1 0 227.308 0.121 10 0 BCAERO C[C@@H]1CN(C(=O)[C@H]2CCC[NH2+]2)C[C@@H](C)O1 ZINC000019411996 176257643 /nfs/dbraw/zinc/25/76/43/176257643.db2.gz VWRIBYLJTUWMQK-OPRDCNLKSA-N 1 0 212.293 0.374 10 0 BCAERO C[C@@H]1CN(C(=O)[C@H]2CC[NH2+]C2)CC(C)(C)O1 ZINC000062116694 176258348 /nfs/dbraw/zinc/25/83/48/176258348.db2.gz AWANLIBPCITDMQ-ZJUUUORDSA-N 1 0 226.320 0.622 10 0 BCAERO C[C@@H]1CN(C)CCN1C(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000226401396 176268009 /nfs/dbraw/zinc/26/80/09/176268009.db2.gz GUDCKUFZGKABDZ-MXWKQRLJSA-N 1 0 225.336 0.276 10 0 BCAERO C[C@@H]1CN(C)C[C@@H]1[NH2+][C@@H]1CCC(=O)N[C@@H]1C ZINC000336778272 176274235 /nfs/dbraw/zinc/27/42/35/176274235.db2.gz KXPIMMIZFXLRQV-DBIOUOCHSA-N 1 0 225.336 0.193 10 0 BCAERO C[C@@H]1C[N@H+](C/C=C/Cl)C[C@H]1C(N)=O ZINC000286055399 176279690 /nfs/dbraw/zinc/27/96/90/176279690.db2.gz FSDCIKAVAOJLSN-YEMZYZDBSA-N 1 0 202.685 0.792 10 0 BCAERO C[C@@H]1CN(CC(=O)NC2CCCCC2)C[C@@H]1[NH3+] ZINC000235339129 176283617 /nfs/dbraw/zinc/28/36/17/176283617.db2.gz OYVUNRLLFAEQAM-PWSUYJOCSA-N 1 0 239.363 0.714 10 0 BCAERO C[C@@H]1CN(CC(=O)NC2CCCC2)C[C@@H]1[NH3+] ZINC000235339038 176283786 /nfs/dbraw/zinc/28/37/86/176283786.db2.gz FGNYGMZSGPKRLH-KOLCDFICSA-N 1 0 225.336 0.324 10 0 BCAERO C[C@@H]1CN(CC(F)(F)F)[C@H](CO)C[NH2+]1 ZINC000062570510 176284967 /nfs/dbraw/zinc/28/49/67/176284967.db2.gz CHZIKXCAAKCIDL-RQJHMYQMSA-N 1 0 212.215 0.203 10 0 BCAERO C[C@@H]1CN(CCC[NH+]2CCCC2)C[C@H](CO)O1 ZINC000191783943 176289463 /nfs/dbraw/zinc/28/94/63/176289463.db2.gz BVXBEGFDLQHZBQ-CHWSQXEVSA-N 1 0 242.363 0.554 10 0 BCAERO C[C@@H]1CN(CC[NH2+]C[C@@H]2CCCO2)[C@H](C)CO1 ZINC000053382151 176290465 /nfs/dbraw/zinc/29/04/65/176290465.db2.gz MTANINUVLLZVQS-UPJWGTAASA-N 1 0 242.363 0.864 10 0 BCAERO C[C@@H]1CN(CCc2cccnc2)C[C@@H]1[NH3+] ZINC000235325254 176293667 /nfs/dbraw/zinc/29/36/67/176293667.db2.gz FTQSGMDAIISNIO-PWSUYJOCSA-N 1 0 205.305 0.903 10 0 BCAERO C[C@@H]1CN(CCc2ccncc2)CC[NH2+]1 ZINC000077299096 176294288 /nfs/dbraw/zinc/29/42/88/176294288.db2.gz HFWYQQFCMHEGDH-LLVKDONJSA-N 1 0 205.305 0.918 10 0 BCAERO C[C@@H]1CN(Cc2cc(C[NH3+])no2)CCCO1 ZINC000061935617 176301849 /nfs/dbraw/zinc/30/18/49/176301849.db2.gz WDCRXSXKLVRDLY-SECBINFHSA-N 1 0 225.292 0.744 10 0 BCAERO C[C@@H]1CN(Cc2cc(C[NH3+])no2)[C@H](C)CO1 ZINC000052476560 176301870 /nfs/dbraw/zinc/30/18/70/176301870.db2.gz JJZMRVYPUYJUGI-RKDXNWHRSA-N 1 0 225.292 0.743 10 0 BCAERO C[C@@H]1CN(S(C)(=O)=O)C(C)(C)C[NH2+]1 ZINC000062569633 176314362 /nfs/dbraw/zinc/31/43/62/176314362.db2.gz JCFCHYLDUZIQEX-SSDOTTSWSA-N 1 0 206.311 0.018 10 0 BCAERO C[C@@H]1CN(c2ncc(Cl)cn2)C[C@@H]1[NH3+] ZINC000235402613 176320507 /nfs/dbraw/zinc/32/05/07/176320507.db2.gz LYOKIAUQXHUXCK-SVRRBLITSA-N 1 0 212.684 0.913 10 0 BCAERO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1Cc1ncnn1C ZINC000371867609 176322634 /nfs/dbraw/zinc/32/26/34/176322634.db2.gz GPHMIWYOYMNNMZ-VXGBXAGGSA-N 1 0 249.362 0.874 10 0 BCAERO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1CCOCC[NH3+] ZINC000094440736 176323303 /nfs/dbraw/zinc/32/33/03/176323303.db2.gz ZZTBCNKLYUWYFJ-CHWSQXEVSA-N 1 0 241.379 0.520 10 0 BCAERO C[C@@H]1C[NH2+]C(C)(C)CN1[C@@H]1CCS(=O)(=O)C1 ZINC000041298186 176324519 /nfs/dbraw/zinc/32/45/19/176324519.db2.gz DZCYVRZCOCMECP-NXEZZACHSA-N 1 0 246.376 0.246 10 0 BCAERO C[C@@H]1C[NH2+]CCN1CCCn1ccnc1 ZINC000054374720 176326740 /nfs/dbraw/zinc/32/67/40/176326740.db2.gz DPZJUSCQTKTSPQ-LLVKDONJSA-N 1 0 208.309 0.567 10 0 BCAERO C[C@@H]1C[NH2+]CC[C@]1(Nc1ccccc1)C(N)=O ZINC000033605084 176328511 /nfs/dbraw/zinc/32/85/11/176328511.db2.gz AYSXUQVRTPEXOH-ZWNOBZJWSA-N 1 0 233.315 0.952 10 0 BCAERO C[C@@H]1C[NH2+]C[C@@H]1C(=O)N(C)Cc1cnn(C)c1 ZINC000104217795 176328909 /nfs/dbraw/zinc/32/89/09/176328909.db2.gz GQPKULQDEGZCIU-KOLCDFICSA-N 1 0 236.319 0.234 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)NCC[NH+]1CCCCC1 ZINC000104214873 176329794 /nfs/dbraw/zinc/32/97/94/176329794.db2.gz FNDGRNVZKWQZCJ-VXGBXAGGSA-N 1 0 239.363 0.444 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@@H]1CCCC[C@H]1O ZINC000227328964 176329815 /nfs/dbraw/zinc/32/98/15/176329815.db2.gz WCWKDXVEZXARAW-GWOFURMSSA-N 1 0 226.320 0.262 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N(C)CCc1ccncc1 ZINC000111267289 176329905 /nfs/dbraw/zinc/32/99/05/176329905.db2.gz TUSZBEHVWBHSNH-DGCLKSJQSA-N 1 0 247.342 0.938 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1ccc(C(N)=O)cc1 ZINC000111263122 176330020 /nfs/dbraw/zinc/33/00/20/176330020.db2.gz NQFISQVTPRSNJH-LDYMZIIASA-N 1 0 247.298 0.580 10 0 BCAERO C[C@@H]1COCCN1C(=O)C1(C[NH3+])CCC1 ZINC000087670576 176334135 /nfs/dbraw/zinc/33/41/35/176334135.db2.gz OFDQOFQOKDXRSE-SECBINFHSA-N 1 0 212.293 0.363 10 0 BCAERO C[C@@H]1COCCN1CCN1CCC[NH2+]CC1 ZINC000061275016 176335356 /nfs/dbraw/zinc/33/53/56/176335356.db2.gz ACPWVTKKDFUGJZ-GFCCVEGCSA-N 1 0 227.352 0.002 10 0 BCAERO C[C@@H]1COCCN1[C@]1(C[NH3+])CCSC1 ZINC000035774882 176337791 /nfs/dbraw/zinc/33/77/91/176337791.db2.gz CETQUNARPZAXDN-ZJUUUORDSA-N 1 0 216.350 0.542 10 0 BCAERO C[C@@H]1CSC(N[C@@]2(C)CCS(=O)(=O)C2)=[NH+]1 ZINC000044931831 176348779 /nfs/dbraw/zinc/34/87/79/176348779.db2.gz WRQSHTKVBMWRML-APPZFPTMSA-N 1 0 248.373 0.645 10 0 BCAERO C[C@@H]1CSC(NC[C@H]2COCCO2)=[NH+]1 ZINC000038062809 176349499 /nfs/dbraw/zinc/34/94/99/176349499.db2.gz WOZNJLMXSKFWNE-SFYZADRCSA-N 1 0 216.306 0.483 10 0 BCAERO C[C@@H]1CSCCN1C(=O)[C@H]1CCC[NH2+]C1 ZINC000069762066 176349866 /nfs/dbraw/zinc/34/98/66/176349866.db2.gz UYXBVWKOEXAWGH-ZJUUUORDSA-N 1 0 228.361 0.950 10 0 BCAERO C[C@@H]1C[C@H]1[NH2+]C1CCS(=O)(=O)CC1 ZINC000052273069 176446545 /nfs/dbraw/zinc/44/65/45/176446545.db2.gz GBWLRYZHKXXREN-VXNVDRBHSA-N 1 0 203.307 0.562 10 0 BCAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]C[C@H](O)C(C)(C)C ZINC000336678386 176455327 /nfs/dbraw/zinc/45/53/27/176455327.db2.gz BRALDIPICUUSCY-GUBZILKMSA-N 1 0 228.336 0.650 10 0 BCAERO C[C@@H]1OCC[C@@H]1NC(=O)[C@@H]1CCCC[NH2+]1 ZINC000125351540 176470874 /nfs/dbraw/zinc/47/08/74/176470874.db2.gz KBOOQURDBJJESM-GUBZILKMSA-N 1 0 212.293 0.422 10 0 BCAERO C[C@@]1(C(=O)N(CCO)C2CCCC2)CC[NH2+]C1 ZINC000062896354 176521638 /nfs/dbraw/zinc/52/16/38/176521638.db2.gz YOSBVPRPIJMEEO-CYBMUJFWSA-N 1 0 240.347 0.750 10 0 BCAERO C[C@H](C(=O)N(C)C)N(C)c1cc[nH+]cc1N ZINC000042141334 176557377 /nfs/dbraw/zinc/55/73/77/176557377.db2.gz DALXOJRANDFNMP-MRVPVSSYSA-N 1 0 222.292 0.577 10 0 BCAERO C[C@H](C(=O)NC[C@@H]1CCC[C@@H]1O)C1C[NH2+]C1 ZINC000129294250 176572997 /nfs/dbraw/zinc/57/29/97/176572997.db2.gz YPYJJIUGLZTMNS-QXEWZRGKSA-N 1 0 226.320 0.119 10 0 BCAERO C[C@H](C1CC1)N(C)C(=O)N1CC[NH2+]CC1 ZINC000036785046 176591525 /nfs/dbraw/zinc/59/15/25/176591525.db2.gz KQOKRLDNFCVJCP-SECBINFHSA-N 1 0 211.309 0.742 10 0 BCAERO C[C@H](CCOC(=O)NCCO)[NH+](C)C ZINC000040979818 176638717 /nfs/dbraw/zinc/63/87/17/176638717.db2.gz FLASSHOGJKRSGA-MRVPVSSYSA-N 1 0 204.270 0.045 10 0 BCAERO C[C@H](C[NH3+])CN(C)C(=O)C1CCOCC1 ZINC000061670938 176658099 /nfs/dbraw/zinc/65/80/99/176658099.db2.gz RVXXFPLTEBAULI-SECBINFHSA-N 1 0 214.309 0.466 10 0 BCAERO C[C@H](C[NH3+])Cn1ncc(=O)c2ccccc21 ZINC000036867207 176660011 /nfs/dbraw/zinc/66/00/11/176660011.db2.gz IGUMECIGZWFNLK-SECBINFHSA-N 1 0 217.272 0.991 10 0 BCAERO C[C@H]([NH3+])[C@@H](c1cccnc1)N1CCOCC1 ZINC000043345402 176766373 /nfs/dbraw/zinc/76/63/73/176766373.db2.gz ZNMZEIUOJHUMNN-JQWIXIFHSA-N 1 0 221.304 0.802 10 0 BCAERO C[C@H]([NH3+])c1ccc(NS(=O)(=O)N(C)C)cc1 ZINC000020257840 176776751 /nfs/dbraw/zinc/77/67/51/176776751.db2.gz NWMAQRNRALCBDB-QMMMGPOBSA-N 1 0 243.332 0.925 10 0 BCAERO C[C@H](NC(=[NH2+])NC1CCCC1)c1nncn1C ZINC000052047518 176784141 /nfs/dbraw/zinc/78/41/41/176784141.db2.gz LMOZTIYCDLNVMU-QMMMGPOBSA-N 1 0 236.323 0.933 10 0 BCAERO CC(C)[C@@H](C)[NH2+]C[C@@H](O)Cn1cccn1 ZINC000037885463 487635059 /nfs/dbraw/zinc/63/50/59/487635059.db2.gz LJNOCKQRVRXBGY-GHMZBOCLSA-N 1 0 211.309 0.878 10 0 BCAERO C[C@H](Nc1cc[nH+]cc1N)C(=O)N(C)C ZINC000042561742 176937603 /nfs/dbraw/zinc/93/76/03/176937603.db2.gz CVHVOCXYCLNXLN-ZETCQYMHSA-N 1 0 208.265 0.552 10 0 BCAERO C[C@H](O)CN(C)C(=O)C1(C[NH3+])CCCC1 ZINC000051821269 176967609 /nfs/dbraw/zinc/96/76/09/176967609.db2.gz BCGPKDDYHJABIS-VIFPVBQESA-N 1 0 214.309 0.345 10 0 BCAERO C[C@H](O)[C@@H]1CC[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000252753332 177009815 /nfs/dbraw/zinc/00/98/15/177009815.db2.gz CIEBQBLPCMQONQ-SDDRHHMPSA-N 1 0 212.337 0.689 10 0 BCAERO C[C@H](OC1CC[NH2+]CC1)C(=O)N1CCOCC1 ZINC000037390594 177020156 /nfs/dbraw/zinc/02/01/56/177020156.db2.gz RTHQETLKROENKU-JTQLQIEISA-N 1 0 242.319 0.002 10 0 BCAERO C[C@H](O[C@H]1CC[NH2+]C1)C(=O)N1CCCC1 ZINC000051782152 177021730 /nfs/dbraw/zinc/02/17/30/177021730.db2.gz PDUHMNPJHDCEAF-UWVGGRQHSA-N 1 0 212.293 0.376 10 0 BCAERO C[C@@H]([NH3+])c1ccc(O[C@@H](C)C(N)=O)cc1 ZINC000020419262 177023420 /nfs/dbraw/zinc/02/34/20/177023420.db2.gz OUNKBDGIISWARW-SFYZADRCSA-N 1 0 208.261 0.959 10 0 BCAERO C[C@H](c1ccc(F)cc1)n1nnnc1C[NH3+] ZINC000054747374 177034379 /nfs/dbraw/zinc/03/43/79/177034379.db2.gz MDZUEZQHKGODDL-SSDOTTSWSA-N 1 0 221.239 0.880 10 0 BCAERO C[C@H](c1ccccn1)N1C[C@@H]([NH3+])CC1=O ZINC000035695673 177043958 /nfs/dbraw/zinc/04/39/58/177043958.db2.gz INIYBDJMQLJBFN-BDAKNGLRSA-N 1 0 205.261 0.702 10 0 BCAERO C[C@H](c1ccncc1)N1CC[C@H]([NH3+])C1=O ZINC000049648752 177051333 /nfs/dbraw/zinc/05/13/33/177051333.db2.gz JLIQAMNEDJRNEL-SCZZXKLOSA-N 1 0 205.261 0.702 10 0 BCAERO C[C@H](c1ccncc1)N1C[C@@H]([NH3+])CC1=O ZINC000043531695 177051439 /nfs/dbraw/zinc/05/14/39/177051439.db2.gz OCHVFGUFEZSTJL-SCZZXKLOSA-N 1 0 205.261 0.702 10 0 BCAERO C[C@H](c1ccncc1)N1CC[C@@H]([NH3+])C1=O ZINC000049648754 177051786 /nfs/dbraw/zinc/05/17/86/177051786.db2.gz JLIQAMNEDJRNEL-PSASIEDQSA-N 1 0 205.261 0.702 10 0 BCAERO C[C@H]1CC(=O)N(CC[C@H]2CCCC[NH2+]2)C1=O ZINC000103378821 177061507 /nfs/dbraw/zinc/06/15/07/177061507.db2.gz BFBTYHUSZHKCQI-VHSXEESVSA-N 1 0 224.304 0.914 10 0 BCAERO C[C@H]1CC(=O)N(CC2CC[NH2+]CC2)C1=O ZINC000103378791 177061883 /nfs/dbraw/zinc/06/18/83/177061883.db2.gz KXVWYDQLKQHSBU-QMMMGPOBSA-N 1 0 210.277 0.381 10 0 BCAERO C[C@H]1CCCCN1C(=O)N1CC[NH2+]CC1 ZINC000019259067 177073199 /nfs/dbraw/zinc/07/31/99/177073199.db2.gz UHNJYRGJKHFSOA-JTQLQIEISA-N 1 0 211.309 0.886 10 0 BCAERO C[C@H]1CCCC[C@@H]1[NH2+]CCS(N)(=O)=O ZINC000036745452 177082771 /nfs/dbraw/zinc/08/27/71/177082771.db2.gz SRLMWIWRIOZTBD-IUCAKERBSA-N 1 0 220.338 0.443 10 0 BCAERO C[C@H]1CCCC[C@@]1(C(N)=O)N1CCC[NH2+]CC1 ZINC000037943781 177084527 /nfs/dbraw/zinc/08/45/27/177084527.db2.gz BUCKMPOGYKADTN-WCQYABFASA-N 1 0 239.363 0.716 10 0 BCAERO C[C@H]1CCCC[C@]1(C(N)=O)N1CC[NH2+]CC1 ZINC000037945623 177090327 /nfs/dbraw/zinc/09/03/27/177090327.db2.gz NXLCBEXEGKXTJL-JQWIXIFHSA-N 1 0 225.336 0.326 10 0 BCAERO C[C@H](C(=O)N1CCC[C@H](C)C1)N1CC[NH2+]CC1 ZINC000019977219 177093532 /nfs/dbraw/zinc/09/35/32/177093532.db2.gz NLJLGRZCGRBJLZ-NWDGAFQWSA-N 1 0 239.363 0.539 10 0 BCAERO C[C@@H]([NH3+])CS(=O)(=O)N1CCC[C@H](C)C1 ZINC000041234336 177103341 /nfs/dbraw/zinc/10/33/41/177103341.db2.gz YUICURVKXWLQQE-DTWKUNHWSA-N 1 0 220.338 0.395 10 0 BCAERO C[C@H]1CCC[NH2+][C@@H]1C(=O)NCc1cnn(C)c1 ZINC000051813117 177112429 /nfs/dbraw/zinc/11/24/29/177112429.db2.gz MHCDNQBDFYZSNE-ONGXEEELSA-N 1 0 236.319 0.424 10 0 BCAERO C[C@H]1CCC[C@@H](C(=O)NCCn2ccnc2)[NH2+]1 ZINC000042542804 177113569 /nfs/dbraw/zinc/11/35/69/177113569.db2.gz FIMZEAPGUBTAHH-QWRGUYRKSA-N 1 0 236.319 0.530 10 0 BCAERO C[C@H]1[C@H]([NH2+]CC(=O)NC(N)=O)CCC[C@@H]1C ZINC000020055175 177122765 /nfs/dbraw/zinc/12/27/65/177122765.db2.gz JKRWYFDDPVHSLP-DJLDLDEBSA-N 1 0 227.308 0.596 10 0 BCAERO C[C@H]1CCC[C@H](C(=O)N2CCS(=O)CC2)[NH2+]1 ZINC000049692892 177129108 /nfs/dbraw/zinc/12/91/08/177129108.db2.gz AVOIMMOJDQRMIE-VHSXEESVSA-N 1 0 244.360 0.108 10 0 BCAERO C[C@H]1CCC[C@H](c2nnnn2CC[NH3+])C1 ZINC000044981487 177139162 /nfs/dbraw/zinc/13/91/62/177139162.db2.gz RNLSETKKZFDIEA-IUCAKERBSA-N 1 0 209.297 0.926 10 0 BCAERO C[C@H]1CCC[C@](C[NH3+])(N(C)S(C)(=O)=O)C1 ZINC000050092848 177143465 /nfs/dbraw/zinc/14/34/65/177143465.db2.gz NXOZYXGUTYUMNG-UWVGGRQHSA-N 1 0 234.365 0.785 10 0 BCAERO C[C@H]1CCC[C@](CO)([NH2+]CC(N)=O)C1 ZINC000053126875 177143921 /nfs/dbraw/zinc/14/39/21/177143921.db2.gz BCSSAQAFIGBDKQ-WPRPVWTQSA-N 1 0 200.282 0.003 10 0 BCAERO C[C@H]1CCC[C@](C[NH3+])(N2C(=O)COCC2=O)C1 ZINC000104310180 177143924 /nfs/dbraw/zinc/14/39/24/177143924.db2.gz QBABCCYTVJPAMT-CABZTGNLSA-N 1 0 240.303 0.279 10 0 BCAERO C[C@H]1CCN(C(=O)[C@H]2CCCO2)[C@H](C[NH3+])C1 ZINC000235645577 177152126 /nfs/dbraw/zinc/15/21/26/177152126.db2.gz XHDRXZLGLBJNLN-GARJFASQSA-N 1 0 226.320 0.751 10 0 BCAERO C[C@H]1CCN(CC(=O)N2CCCC2)[C@@H](C[NH3+])C1 ZINC000224845387 177157567 /nfs/dbraw/zinc/15/75/67/177157567.db2.gz IDEXTAMERPNVQK-NWDGAFQWSA-N 1 0 239.363 0.668 10 0 BCAERO C[C@H]1CC[NH2+]CCN1C(=O)C(F)(F)F ZINC000062570219 177174186 /nfs/dbraw/zinc/17/41/86/177174186.db2.gz GXPUXFHXNRFSKB-LURJTMIESA-N 1 0 210.199 0.759 10 0 BCAERO C[C@H]1CC[C@@H](C(=O)N2CCOCC2)C[NH2+]1 ZINC000019510190 177181290 /nfs/dbraw/zinc/18/12/90/177181290.db2.gz LHGLFUHHARAXBM-VHSXEESVSA-N 1 0 212.293 0.233 10 0 BCAERO C[C@H]1CN(C(=O)C(F)(F)F)[C@@H](C)C[NH2+]1 ZINC000062570210 177211704 /nfs/dbraw/zinc/21/17/04/177211704.db2.gz FSTQRTNMBSCTAF-WDSKDSINSA-N 1 0 210.199 0.758 10 0 BCAERO C[C@H]1CC[C@H](C)N1C(=O)[C@@H]1C[NH2+]CCO1 ZINC000237608909 177199044 /nfs/dbraw/zinc/19/90/44/177199044.db2.gz BJOBCMNXIXCSMV-GUBZILKMSA-N 1 0 212.293 0.374 10 0 BCAERO C[C@H]1CC[C@H](CN2CCCS2(=O)=O)C[NH2+]1 ZINC000062037277 177202218 /nfs/dbraw/zinc/20/22/18/177202218.db2.gz NGSINPBFKRLBOD-UWVGGRQHSA-N 1 0 232.349 0.410 10 0 BCAERO C[C@H]1CN(C(=O)C[C@H]2CCCC[NH2+]2)CCO1 ZINC000020597498 177217758 /nfs/dbraw/zinc/21/77/58/177217758.db2.gz HXEOFRFGONUJKX-WDEREUQCSA-N 1 0 226.320 0.766 10 0 BCAERO C[C@H]1CN(C(=O)c2nccnc2N)C[C@H]1[NH+](C)C ZINC000266146559 177231776 /nfs/dbraw/zinc/23/17/76/177231776.db2.gz GJVLDBGFTOXLSG-DTWKUNHWSA-N 1 0 249.318 0.081 10 0 BCAERO C[C@H]1CN(C)CCN1C(=O)C1CC[NH2+]CC1 ZINC000226401465 177232441 /nfs/dbraw/zinc/23/24/41/177232441.db2.gz HDHMGFPHNJFPNP-JTQLQIEISA-N 1 0 225.336 0.149 10 0 BCAERO C[C@H]1CN(C2(C[NH3+])CCOCC2)CCCO1 ZINC000061915190 177240519 /nfs/dbraw/zinc/24/05/19/177240519.db2.gz KLLCELZCVGCFDA-NSHDSACASA-N 1 0 228.336 0.605 10 0 BCAERO C[C@H]1C[N@H+](CC[C@](C)([NH3+])C(=O)[O-])CCCO1 ZINC000061933257 177253649 /nfs/dbraw/zinc/25/36/49/177253649.db2.gz CVPGTTLCEFBRKV-ONGXEEELSA-N 1 0 230.308 0.289 10 0 BCAERO C[C@H]1CN(Cc2c[nH]cn2)C[C@H]1[NH+](C)C ZINC000280131429 177260649 /nfs/dbraw/zinc/26/06/49/177260649.db2.gz AXPWFNYAAKUGDP-GXSJLCMTSA-N 1 0 208.309 0.792 10 0 BCAERO C[C@H]1CN(Cc2ccc(C[NH3+])o2)CCO1 ZINC000052382417 177262698 /nfs/dbraw/zinc/26/26/98/177262698.db2.gz KOSMAVLBTJPULI-VIFPVBQESA-N 1 0 210.277 0.959 10 0 BCAERO C[C@H]1CN(Cc2cccnc2)C[C@H](C[NH3+])O1 ZINC000071523401 177266129 /nfs/dbraw/zinc/26/61/29/177266129.db2.gz UNZIINZOXHZMFF-JQWIXIFHSA-N 1 0 221.304 0.630 10 0 BCAERO C[C@H]1CN(Cc2ccncc2)C[C@H](C[NH3+])O1 ZINC000071523408 177267282 /nfs/dbraw/zinc/26/72/82/177267282.db2.gz KNACXBXVGBVUGV-JQWIXIFHSA-N 1 0 221.304 0.630 10 0 BCAERO C[C@H]1CN(c2nnnn2-c2ccccc2)C[C@@H]1[NH3+] ZINC000235729165 177278954 /nfs/dbraw/zinc/27/89/54/177278954.db2.gz LBQCZBWTGXQOHM-ONGXEEELSA-N 1 0 244.302 0.446 10 0 BCAERO C[C@H]1C[NH+]=C(NC[C@H]2CCS(=O)(=O)C2)S1 ZINC000050602963 177281792 /nfs/dbraw/zinc/28/17/92/177281792.db2.gz UPNAJXONTWBNIU-JGVFFNPUSA-N 1 0 248.373 0.502 10 0 BCAERO C[C@H]1C[NH2+]CCN1C(=O)c1ccc2c[nH]nc2c1 ZINC000061670101 177284101 /nfs/dbraw/zinc/28/41/01/177284101.db2.gz JTRHSGZUTCYOLN-VIFPVBQESA-N 1 0 244.298 0.997 10 0 BCAERO C[C@H]1C[NH2+]CCN1Cc1ccnc(Cl)n1 ZINC000095069614 177285117 /nfs/dbraw/zinc/28/51/17/177285117.db2.gz YREANVOIIVRDRY-QMMMGPOBSA-N 1 0 226.711 0.924 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H](C)CN(CCS(C)(=O)=O)C1 ZINC000049662707 177285786 /nfs/dbraw/zinc/28/57/86/177285786.db2.gz SHEDWUOXJUZJPQ-PHIMTYICSA-N 1 0 248.392 0.208 10 0 BCAERO C[C@H]1COCCN1C(=O)[C@@H]([NH3+])C(C)(C)C ZINC000040460136 177289971 /nfs/dbraw/zinc/28/99/71/177289971.db2.gz UBMVMLLVTVQKEB-DTWKUNHWSA-N 1 0 214.309 0.607 10 0 BCAERO C[C@H]1COCCN1C1(C[NH3+])CCOCC1 ZINC000036304959 177290872 /nfs/dbraw/zinc/29/08/72/177290872.db2.gz ODMLEBFPYCXUDB-JTQLQIEISA-N 1 0 214.309 0.215 10 0 BCAERO C[C@H]1COCCN1Cc1occc1C[NH3+] ZINC000052475851 177293363 /nfs/dbraw/zinc/29/33/63/177293363.db2.gz WIAKLKVDPFHUQV-VIFPVBQESA-N 1 0 210.277 0.959 10 0 BCAERO C[C@H]1COCCN1[C@]1(C[NH3+])CCCSC1 ZINC000061590042 177293792 /nfs/dbraw/zinc/29/37/92/177293792.db2.gz JBERYXRCTHMXQZ-QWRGUYRKSA-N 1 0 230.377 0.932 10 0 BCAERO C[C@@H]1COC[C@H](C)N1C[C@H](O)C[N@H+](C)C1CC1 ZINC000336714695 177298044 /nfs/dbraw/zinc/29/80/44/177298044.db2.gz PHHYNWRDVBRIFC-NTZNESFSSA-N 1 0 242.363 0.551 10 0 BCAERO C[C@@H]1COC[C@H](C)N1C(=O)C[C@H]1CCC[NH2+]1 ZINC000246212334 177298252 /nfs/dbraw/zinc/29/82/52/177298252.db2.gz FXEGBVUFNDBGBV-OUAUKWLOSA-N 1 0 226.320 0.764 10 0 BCAERO C[C@@H]1CN(C(=O)C2([NH3+])CCCC2)[C@@H](C)CO1 ZINC000037479506 177301286 /nfs/dbraw/zinc/30/12/86/177301286.db2.gz HOWVDQNHJYTECV-VHSXEESVSA-N 1 0 226.320 0.894 10 0 BCAERO C[C@H]1CSC(NCCS(C)(=O)=O)=[NH+]1 ZINC000037750925 177302924 /nfs/dbraw/zinc/30/29/24/177302924.db2.gz HCAJBCZNZAKKOA-LURJTMIESA-N 1 0 222.335 0.112 10 0 BCAERO C[C@H]1CSC(NC[C@H]2COCCO2)=[NH+]1 ZINC000038062810 177303039 /nfs/dbraw/zinc/30/30/39/177303039.db2.gz WOZNJLMXSKFWNE-YUMQZZPRSA-N 1 0 216.306 0.483 10 0 BCAERO C[C@H]1CSC(N[C@@]2(C)CCS(=O)(=O)C2)=[NH+]1 ZINC000044931832 177303192 /nfs/dbraw/zinc/30/31/92/177303192.db2.gz WRQSHTKVBMWRML-CBAPKCEASA-N 1 0 248.373 0.645 10 0 BCAERO C[C@@H]1C[C@H](C)CN(C(=O)C2([NH3+])CCOCC2)C1 ZINC000127718506 177310380 /nfs/dbraw/zinc/31/03/80/177310380.db2.gz VHQIIOPFAVTJET-PHIMTYICSA-N 1 0 240.347 0.999 10 0 BCAERO C[C@H]1C[C@@H]1NC(=O)C1(C[NH3+])CCOCC1 ZINC000052277181 177346134 /nfs/dbraw/zinc/34/61/34/177346134.db2.gz WUVGVCLCJFLTPT-IUCAKERBSA-N 1 0 212.293 0.267 10 0 BCAERO C[C@H]1C[C@H]([NH2+][C@@H]2CCC(=O)N(C)C2)CN1C ZINC000095422827 177372045 /nfs/dbraw/zinc/37/20/45/177372045.db2.gz FEPONRPRDXDPDF-AXFHLTTASA-N 1 0 225.336 0.289 10 0 BCAERO C[C@H]1C[C@H]1NC(=O)C1(C[NH3+])CCOCC1 ZINC000052277185 177382870 /nfs/dbraw/zinc/38/28/70/177382870.db2.gz WUVGVCLCJFLTPT-DTWKUNHWSA-N 1 0 212.293 0.267 10 0 BCAERO C[C@H]1Cc2ccccc2N1C[C@H](O)C[NH3+] ZINC000036057661 177390734 /nfs/dbraw/zinc/39/07/34/177390734.db2.gz QTWFNKOIDGIVGV-GXSJLCMTSA-N 1 0 206.289 0.757 10 0 BCAERO C[C@H]1NC(=O)CC[C@@H]1[NH2+]Cc1ccn(C)c1 ZINC000309491599 177393442 /nfs/dbraw/zinc/39/34/42/177393442.db2.gz SINGRLQFZUYVTJ-KOLCDFICSA-N 1 0 221.304 0.782 10 0 BCAERO C[C@H]1NC(=O)CC[C@@H]1[NH2+]C/C=C/Cl ZINC000282197907 177393734 /nfs/dbraw/zinc/39/37/34/177393734.db2.gz CMHTVRHECSMXKS-WESAQQHOSA-N 1 0 202.685 0.996 10 0 BCAERO C[C@H]1NC(=O)CC[C@H]1[NH2+]Cc1cncs1 ZINC000281511714 177393885 /nfs/dbraw/zinc/39/38/85/177393885.db2.gz ABGXXSXGZLOCFH-VXNVDRBHSA-N 1 0 225.317 0.900 10 0 BCAERO C[C@H]1NC(=O)CC[C@H]1[NH2+]CCc1ccncc1 ZINC000289306523 177394094 /nfs/dbraw/zinc/39/40/94/177394094.db2.gz ARCSNUWMKSRVOC-ZYHUDNBSSA-N 1 0 233.315 0.881 10 0 BCAERO C[C@H]1NC(=O)CC[C@H]1[NH2+]Cc1cncc(F)c1 ZINC000336370610 177394336 /nfs/dbraw/zinc/39/43/36/177394336.db2.gz VCKGZLBKMDIXGV-LDYMZIIASA-N 1 0 237.278 0.977 10 0 BCAERO C[C@H]1NC(=O)CC[C@H]1[NH2+]CCOCC(F)F ZINC000309829425 177394449 /nfs/dbraw/zinc/39/44/49/177394449.db2.gz YDIRTHANHSGLIQ-HTQZYQBOSA-N 1 0 236.262 0.525 10 0 BCAERO C[C@H]1[NH2+]CCC[C@@H]1C(=O)Nc1ccncc1 ZINC000335594217 177395192 /nfs/dbraw/zinc/39/51/92/177395192.db2.gz VIPCOKQMJFHUFS-KOLCDFICSA-N 1 0 219.288 0.830 10 0 BCAERO C[C@H]1[NH2+]CCC[C@H]1NC(=O)N1CCCO1 ZINC000333773975 177396059 /nfs/dbraw/zinc/39/60/59/177396059.db2.gz CMTZUQYDEZTBHE-RKDXNWHRSA-N 1 0 213.281 0.474 10 0 BCAERO Cc1c(NC(=O)[C@@H](C)C[NH3+])cccc1C(N)=O ZINC000054338993 177618732 /nfs/dbraw/zinc/61/87/32/177618732.db2.gz XLGQARCAFLOLQZ-ZETCQYMHSA-N 1 0 235.287 0.627 10 0 BCAERO Cc1cnn(CCNC(=O)C[C@@H]([NH3+])C(C)C)c1 ZINC000232720941 487641959 /nfs/dbraw/zinc/64/19/59/487641959.db2.gz BBQXCAHPSUMINM-LLVKDONJSA-N 1 0 238.335 0.681 10 0 BCAERO CO[C@H](C[NH2+][C@@H]1CCC(=O)N[C@H]1C)C1CC1 ZINC000400272415 226339179 /nfs/dbraw/zinc/33/91/79/226339179.db2.gz NDTUGYMKBXGICO-JMJZKYOTSA-N 1 0 226.320 0.668 10 0 BCAERO OCC[C@H]1CCC[N@H+](CC2(O)CCC2)C1 ZINC000675124177 487671400 /nfs/dbraw/zinc/67/14/00/487671400.db2.gz DMOJBVHBHODGSK-LLVKDONJSA-N 1 0 213.321 0.996 10 0 BCAERO Cc1noc2ncnc(N(C)[C@H]3CC[NH2+]C3)c12 ZINC000071311590 487671591 /nfs/dbraw/zinc/67/15/91/487671591.db2.gz ZKRSEFCGXYIQAS-QMMMGPOBSA-N 1 0 233.275 0.724 10 0 BCAERO C[C@H]1C[C@@H]1NC(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000087638921 487672515 /nfs/dbraw/zinc/67/25/15/487672515.db2.gz IWDNPWCCYRWDLA-UWVGGRQHSA-N 1 0 225.336 0.195 10 0 BCAERO O=C1NC[C@@H](C[NH+]2CCC(CCO)CC2)O1 ZINC000309058513 229315342 /nfs/dbraw/zinc/31/53/42/229315342.db2.gz CYVZUUNUJDSHHQ-JTQLQIEISA-N 1 0 228.292 0.189 10 0 BCAERO C[C@H](O)CCNC(=O)[C@H]1C[NH2+]Cc2ccccc21 ZINC000087620071 487672765 /nfs/dbraw/zinc/67/27/65/487672765.db2.gz SXUJJYLLLOYWET-GWCFXTLKSA-N 1 0 248.326 0.761 10 0 BCAERO C[NH2+][C@H](C)C(=O)N[C@@H]1CCCc2c1cnn2C ZINC000054074285 487680701 /nfs/dbraw/zinc/68/07/01/487680701.db2.gz OJDLLVDXYOBNIP-PSASIEDQSA-N 1 0 236.319 0.522 10 0 BCAERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)N[C@@H]1CCOC1 ZINC000087787035 487686684 /nfs/dbraw/zinc/68/66/84/487686684.db2.gz OFNCYEFFHPXCIP-IVZWLZJFSA-N 1 0 212.293 0.280 10 0 BCAERO CCCN1CC[C@@H]([NH2+]CC2(O)CCOCC2)C1 ZINC000328445079 487687150 /nfs/dbraw/zinc/68/71/50/487687150.db2.gz BRNJCHWDLASQCG-GFCCVEGCSA-N 1 0 242.363 0.602 10 0 BCAERO [NH3+]C1(C(=O)N[C@@H]2CCC[C@H](O)C2)CCC1 ZINC000088050450 487696473 /nfs/dbraw/zinc/69/64/73/487696473.db2.gz MKHHZIRTGTXGJP-BDAKNGLRSA-N 1 0 212.293 0.288 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N(C)[C@H](C)C1CC1 ZINC000088002911 487697633 /nfs/dbraw/zinc/69/76/33/487697633.db2.gz OTPSJEAGBBFREI-VXNVDRBHSA-N 1 0 200.282 0.217 10 0 BCAERO CCCN(CC(F)(F)F)C(=O)[C@H]([NH3+])COC ZINC000088003255 487698154 /nfs/dbraw/zinc/69/81/54/487698154.db2.gz ZUFRWNRQNBVHKZ-SSDOTTSWSA-N 1 0 242.241 0.761 10 0 BCAERO CCN(CC[NH3+])C(=O)[C@@H]1CC[C@H](C)O1 ZINC000088140232 487705792 /nfs/dbraw/zinc/70/57/92/487705792.db2.gz SFWONXLULRODQU-IUCAKERBSA-N 1 0 200.282 0.361 10 0 BCAERO CC(=O)N[C@@H]1CC[N@@H+]([C@@H]2CCC[C@H]2O)C1 ZINC000226290584 487708793 /nfs/dbraw/zinc/70/87/93/487708793.db2.gz ONBQUFGFKVBUAN-GMTAPVOTSA-N 1 0 212.293 0.110 10 0 BCAERO C[C@@H](O)C1CCN(C(=O)CC2([NH3+])CCC2)CC1 ZINC000226333097 487712822 /nfs/dbraw/zinc/71/28/22/487712822.db2.gz IDZRBVMMSRYHDO-SNVBAGLBSA-N 1 0 240.347 0.877 10 0 BCAERO CN(Cc1cn[nH]c1)C(=O)[C@]1(C)CCCC[NH2+]1 ZINC000136208709 487718160 /nfs/dbraw/zinc/71/81/60/487718160.db2.gz BNRMDCKBLDKWFN-LBPRGKRZSA-N 1 0 236.319 0.900 10 0 BCAERO C[C@@H](NC(=O)COC1(C)C[NH2+]C1)[C@H]1CCCO1 ZINC000098061031 487718944 /nfs/dbraw/zinc/71/89/44/487718944.db2.gz XQICHHQWCMHRSU-NXEZZACHSA-N 1 0 242.319 0.049 10 0 BCAERO CCC[C@H]1C[C@@H]1NC(=O)COCC[NH3+] ZINC000226379254 487725835 /nfs/dbraw/zinc/72/58/35/487725835.db2.gz ZTTLMACPLNMCCE-IUCAKERBSA-N 1 0 200.282 0.267 10 0 BCAERO CCC[C@H]1C[C@H]1NC(=O)COCC[NH3+] ZINC000226379260 487725914 /nfs/dbraw/zinc/72/59/14/487725914.db2.gz ZTTLMACPLNMCCE-DTWKUNHWSA-N 1 0 200.282 0.267 10 0 BCAERO COCC[NH2+]CCNC(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000250175754 487727919 /nfs/dbraw/zinc/72/79/19/487727919.db2.gz QJHFVJKBKLOGCX-JGPRNRPPSA-N 1 0 226.320 0.385 10 0 BCAERO CCN1CCC[N@@H+]([C@@H]2CCC[C@H]2O)CC1 ZINC000250396635 487730359 /nfs/dbraw/zinc/73/03/59/487730359.db2.gz YRPCMUKNPQZWEV-VXGBXAGGSA-N 1 0 212.337 0.927 10 0 BCAERO CC(C)([NH3+])CC(=O)N[C@H]1CCCOC1 ZINC000082772629 487730899 /nfs/dbraw/zinc/73/08/99/487730899.db2.gz QFHCXSKWXHBOIP-QMMMGPOBSA-N 1 0 200.282 0.409 10 0 BCAERO Cc1cc(C[NH2+][C@@H]2CCNC2=O)cc(C)c1O ZINC000668425074 487731436 /nfs/dbraw/zinc/73/14/36/487731436.db2.gz GTHUKAWGMSHDRD-LLVKDONJSA-N 1 0 234.299 0.987 10 0 BCAERO C[C@@H](Cc1ccc(O)cc1)[NH2+][C@@H]1CCNC1=O ZINC000668424970 487731275 /nfs/dbraw/zinc/73/12/75/487731275.db2.gz DDLBKBDAMJOOQF-JOYOIKCWSA-N 1 0 234.299 0.801 10 0 BCAERO CC(C)C[C@H](C[NH+](C)C)NCc1ncnn1C ZINC000088572130 487734519 /nfs/dbraw/zinc/73/45/19/487734519.db2.gz ODIAYWRLBNMFGI-LLVKDONJSA-N 1 0 239.367 0.881 10 0 BCAERO C[C@]1(C(=O)N[C@@H](CO)C2CCC2)CCC[NH2+]1 ZINC000662851544 487736044 /nfs/dbraw/zinc/73/60/44/487736044.db2.gz BPIFZVSKUORVFC-CMPLNLGQSA-N 1 0 226.320 0.406 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)C[C@H]1CCCO1 ZINC000250640744 487737459 /nfs/dbraw/zinc/73/74/59/487737459.db2.gz HEWANKILYGPPOR-HBNTYKKESA-N 1 0 226.320 0.799 10 0 BCAERO OCCN1CCC[C@H]([NH2+][C@@H]2CCCC[C@H]2O)C1 ZINC000384712410 487737856 /nfs/dbraw/zinc/73/78/56/487737856.db2.gz MKCJJDIQDKHJRV-YNEHKIRRSA-N 1 0 242.363 0.336 10 0 BCAERO C[C@]1(C(=O)NC[C@H]2CCCC[C@H]2O)CCC[NH2+]1 ZINC000250781472 487739910 /nfs/dbraw/zinc/73/99/10/487739910.db2.gz CXSQYDHKNWZAHK-NQBHXWOUSA-N 1 0 240.347 0.796 10 0 BCAERO O=C([C@@H]1C[C@H]2C[C@H]2C1)N1CCC[NH2+]CC1 ZINC000250796337 487741225 /nfs/dbraw/zinc/74/12/25/487741225.db2.gz APIWQBGKMKUNJU-JGPRNRPPSA-N 1 0 208.305 0.854 10 0 BCAERO O=C(NC1CC[NH2+]CC1)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000250887128 487743226 /nfs/dbraw/zinc/74/32/26/487743226.db2.gz WRAHULVDWFYRIR-ILWJIGKKSA-N 1 0 208.305 0.901 10 0 BCAERO CN(C[C@H]1CCCO1)C(=O)CC[NH2+]C1CC1 ZINC000042465904 487751056 /nfs/dbraw/zinc/75/10/56/487751056.db2.gz XYRPWQDTICUHFF-LLVKDONJSA-N 1 0 226.320 0.766 10 0 BCAERO C[C@@H]1OCC[C@H]1NC(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000226458629 487752733 /nfs/dbraw/zinc/75/27/33/487752733.db2.gz SQKBRJPWVAEUSP-LMLFDSFASA-N 1 0 226.320 0.668 10 0 BCAERO C[C@H](O)C1CCN(C(=O)CC(C)(C)[NH3+])CC1 ZINC000178500429 487753381 /nfs/dbraw/zinc/75/33/81/487753381.db2.gz KGEUZJTVVWQHKG-VIFPVBQESA-N 1 0 228.336 0.733 10 0 BCAERO [NH3+][C@@H]1CCC[C@@H]1C(=O)NC[C@H]1CCCC[C@@H]1O ZINC000251386103 487754732 /nfs/dbraw/zinc/75/47/32/487754732.db2.gz QOMTWWCSHBRQKV-KXNHARMFSA-N 1 0 240.347 0.781 10 0 BCAERO CCc1nn(C)cc1CN1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000234128667 487763333 /nfs/dbraw/zinc/76/33/33/487763333.db2.gz AGHAYALISJTOIS-KOLCDFICSA-N 1 0 222.336 0.762 10 0 BCAERO C[NH2+][C@H](C)C(=O)NC[C@@H]1CCCC[C@H]1O ZINC000251532775 487765821 /nfs/dbraw/zinc/76/58/21/487765821.db2.gz GCLGCYPAJLZHAN-KXUCPTDWSA-N 1 0 214.309 0.262 10 0 BCAERO C[C@@H]1CN(C(=O)[C@@H]2CCC[C@H]2C[NH3+])C[C@@H](C)O1 ZINC000251543787 487766944 /nfs/dbraw/zinc/76/69/44/487766944.db2.gz BQBQMDPTIQAAKI-WISYIIOYSA-N 1 0 240.347 0.997 10 0 BCAERO O=C(C[NH2+]C1CC1)NC[C@H]1CCCC[C@@H]1O ZINC000082995172 487769466 /nfs/dbraw/zinc/76/94/66/487769466.db2.gz UVLMDSCMMOJSDE-KOLCDFICSA-N 1 0 226.320 0.406 10 0 BCAERO CC(C)[NH2+]CC(=O)NC[C@@H]1CCCC[C@@H]1O ZINC000082995162 487769600 /nfs/dbraw/zinc/76/96/00/487769600.db2.gz NIKHPVTULINAGN-QWRGUYRKSA-N 1 0 228.336 0.652 10 0 BCAERO CCn1nc(C)cc1C(=O)NC[C@@H](C)[NH2+]C ZINC000234203186 487770774 /nfs/dbraw/zinc/77/07/74/487770774.db2.gz IBNILTQRCZFCPB-SECBINFHSA-N 1 0 224.308 0.549 10 0 BCAERO CCc1ncnc(NC[C@@H]2COCC[NH2+]2)c1F ZINC000234191169 487770903 /nfs/dbraw/zinc/77/09/03/487770903.db2.gz RHHGSTYSCGASIS-MRVPVSSYSA-N 1 0 240.282 0.578 10 0 BCAERO CO[C@@H](C)CNC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000223708954 487790675 /nfs/dbraw/zinc/79/06/75/487790675.db2.gz AEGCPUUDQOLWRY-AEJSXWLSSA-N 1 0 214.309 0.513 10 0 BCAERO C[C@@]1(C(F)F)CN(C(=O)[C@H]2CC[NH2+]C2)CCO1 ZINC000663002758 487801745 /nfs/dbraw/zinc/80/17/45/487801745.db2.gz SCEIBAAFAHVAAN-KWQFWETISA-N 1 0 248.273 0.479 10 0 BCAERO C[C@@H]1CN(C(=O)[C@H]2CCC[C@H]2C[NH3+])CCO1 ZINC000251876023 487804805 /nfs/dbraw/zinc/80/48/05/487804805.db2.gz UJZZOFBMTMIOHY-VWYCJHECSA-N 1 0 226.320 0.609 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)NCC(F)(F)CN ZINC000309248020 487805748 /nfs/dbraw/zinc/80/57/48/487805748.db2.gz CZROCHUYDUCYKA-SSDOTTSWSA-N 1 0 223.267 0.070 10 0 BCAERO CC[C@@H]1COCCN1C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089451160 487816360 /nfs/dbraw/zinc/81/63/60/487816360.db2.gz OLXSSOZEQXGUOH-IJLUTSLNSA-N 1 0 240.347 0.999 10 0 BCAERO COC1CCN(C(=O)[C@@H]2CCC[C@H]2C[NH3+])CC1 ZINC000089450495 487817932 /nfs/dbraw/zinc/81/79/32/487817932.db2.gz MLMMWIJXCDNTTK-CMPLNLGQSA-N 1 0 240.347 0.999 10 0 BCAERO Cn1ncc2c1ncnc2NC[C@H]1CCCC[NH2+]1 ZINC000044493300 487820042 /nfs/dbraw/zinc/82/00/42/487820042.db2.gz HXKHQXMKKKXZRS-SECBINFHSA-N 1 0 246.318 0.917 10 0 BCAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)NCC1CCOCC1 ZINC000089462591 487822575 /nfs/dbraw/zinc/82/25/75/487822575.db2.gz MYAXSTYOCCFMTJ-VXGBXAGGSA-N 1 0 240.347 0.904 10 0 BCAERO CN(Cc1cn[nH]c1)C(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000089462845 487823052 /nfs/dbraw/zinc/82/30/52/487823052.db2.gz ILOMGWYRRBGVTR-WDEREUQCSA-N 1 0 236.319 0.743 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N1CCn2ccnc2C1 ZINC000089462061 487823759 /nfs/dbraw/zinc/82/37/59/487823759.db2.gz YUWHRBHLJXGEFP-QWRGUYRKSA-N 1 0 248.330 0.600 10 0 BCAERO C[NH2+][C@@H](C)CNC(=O)CCOCC(F)F ZINC000234417243 487823805 /nfs/dbraw/zinc/82/38/05/487823805.db2.gz UOEQQELMVHJNCC-ZETCQYMHSA-N 1 0 224.251 0.382 10 0 BCAERO Cc1cc(CNC(=O)[C@@H]2CCC[C@H]2C[NH3+])on1 ZINC000089461044 487824010 /nfs/dbraw/zinc/82/40/10/487824010.db2.gz IDQIUBDGAPCWML-GXSJLCMTSA-N 1 0 237.303 0.974 10 0 BCAERO CO[C@@H](C)C[NH2+]C[C@@H](O)COCc1ccco1 ZINC000224177487 487824714 /nfs/dbraw/zinc/82/47/14/487824714.db2.gz MPNUZJXPTJKHOL-WDEREUQCSA-N 1 0 243.303 0.782 10 0 BCAERO CC(=O)Nc1ccc(C[NH2+][C@@H]2CCNC2=O)cc1 ZINC000676234833 487825850 /nfs/dbraw/zinc/82/58/50/487825850.db2.gz PTCONVWGZDINEA-GFCCVEGCSA-N 1 0 247.298 0.623 10 0 BCAERO C[C@H]([NH3+])[C@H]1CN(C(=O)[C@@H]2C[C@H]3C[C@H]3C2)CCO1 ZINC000252682689 487828640 /nfs/dbraw/zinc/82/86/40/487828640.db2.gz CNDYHWUEURXTMI-HHHUOAJASA-N 1 0 238.331 0.607 10 0 BCAERO COC[C@H]1CCOC2(CCOCC2)[NH2+]1 ZINC000757147351 586428936 /nfs/dbraw/zinc/42/89/36/586428936.db2.gz LNDXQYGYCQVHPK-SECBINFHSA-N 1 0 201.266 0.518 10 0 BCAERO C[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H]1CCO[C@H]1C ZINC000252744597 487832132 /nfs/dbraw/zinc/83/21/32/487832132.db2.gz OCZQXHUACZJHIM-XKNYDFJKSA-N 1 0 212.293 0.278 10 0 BCAERO C[C@H]([NH3+])[C@H](C)C(=O)N[C@H]1CCC[C@@H](O)C1 ZINC000252844240 487835543 /nfs/dbraw/zinc/83/55/43/487835543.db2.gz DMYXCGIWHWRAPA-AATLWQCWSA-N 1 0 214.309 0.389 10 0 BCAERO C[C@@H]1CC[NH2+][C@H](C(=O)N[C@H]2CCC[C@@H](O)C2)C1 ZINC000253158568 487856046 /nfs/dbraw/zinc/85/60/46/487856046.db2.gz RFHKNXBZJMGOJF-KXNHARMFSA-N 1 0 240.347 0.794 10 0 BCAERO CO[C@H]1C[NH2+][C@@H](C(=O)N[C@@H](C)C2CC2)C1 ZINC000226688144 487857380 /nfs/dbraw/zinc/85/73/80/487857380.db2.gz PPQJPIJWOAIRFH-FXBDTBDDSA-N 1 0 212.293 0.278 10 0 BCAERO COC[C@H](C)[NH2+]CC[C@H]1CCNC1=O ZINC000395889134 487880449 /nfs/dbraw/zinc/88/04/49/487880449.db2.gz KJHQXUVXSOJHFL-IUCAKERBSA-N 1 0 200.282 0.137 10 0 BCAERO O=C(N[C@@H]1CCC[C@@H](O)C1)[C@H]1CCC[NH2+]1 ZINC000157544072 487914178 /nfs/dbraw/zinc/91/41/78/487914178.db2.gz FUCGFLITDNYGND-OPRDCNLKSA-N 1 0 212.293 0.158 10 0 BCAERO O=C(NC[C@@H]1CCC[C@@H]1O)[C@H]1CCC[NH2+]1 ZINC000157566627 487914731 /nfs/dbraw/zinc/91/47/31/487914731.db2.gz ITAJELBABIXTPJ-AEJSXWLSSA-N 1 0 212.293 0.016 10 0 BCAERO O=C(NC[C@H]1CCC[C@@H]1O)[C@H]1CCC[NH2+]1 ZINC000157566768 487914804 /nfs/dbraw/zinc/91/48/04/487914804.db2.gz ITAJELBABIXTPJ-BBBLOLIVSA-N 1 0 212.293 0.016 10 0 BCAERO CC(C)([NH3+])c1cn(CC2(O)CCCC2)nn1 ZINC000083587687 487920369 /nfs/dbraw/zinc/92/03/69/487920369.db2.gz KOHWOFPGCIXZKQ-UHFFFAOYSA-N 1 0 224.308 0.777 10 0 BCAERO COc1ncccc1Cn1cc(C(C)(C)[NH3+])nn1 ZINC000095010369 487924047 /nfs/dbraw/zinc/92/40/47/487924047.db2.gz HVEWHEFEFOKUTF-UHFFFAOYSA-N 1 0 247.302 0.924 10 0 BCAERO O=C(N[C@@H]1CCC[C@@H](O)C1)[C@H]1CCCC[NH2+]1 ZINC000157991728 487932786 /nfs/dbraw/zinc/93/27/86/487932786.db2.gz YJBBSTJBHOEXOJ-GMTAPVOTSA-N 1 0 226.320 0.548 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@H]1CCCOC1 ZINC000235300656 487940546 /nfs/dbraw/zinc/94/05/46/487940546.db2.gz KVPCFXFPPVEIRB-KXUCPTDWSA-N 1 0 212.293 0.137 10 0 BCAERO C[C@@H](O)C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000235327979 487942577 /nfs/dbraw/zinc/94/25/77/487942577.db2.gz GDPHXPXPTTZBPT-YUSALJHKSA-N 1 0 213.321 0.993 10 0 BCAERO C[C@@H]1CN(CCc2ccnn2C)C[C@@H]1[NH3+] ZINC000235325638 487943104 /nfs/dbraw/zinc/94/31/04/487943104.db2.gz RXBADYHXDQKDIE-KOLCDFICSA-N 1 0 208.309 0.242 10 0 BCAERO CO[C@H]1CCN(C(=O)[C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000570159250 323051286 /nfs/dbraw/zinc/05/12/86/323051286.db2.gz BXXVJSNIMRNFMV-DCAQKATOSA-N 1 0 226.320 0.751 10 0 BCAERO CC(C)CO[C@@H](C)C(=O)NCC[C@@H](C)[NH3+] ZINC000309402489 323082084 /nfs/dbraw/zinc/08/20/84/323082084.db2.gz HNIQKNRCFRWRHB-ZJUUUORDSA-N 1 0 216.325 0.901 10 0 BCAERO CCC1(C(=O)N2CC[C@@H]3OCC[NH2+][C@@H]3C2)CC1 ZINC000403977172 323092101 /nfs/dbraw/zinc/09/21/01/323092101.db2.gz DPJPZHOXVVNYHM-MNOVXSKESA-N 1 0 238.331 0.766 10 0 BCAERO CC(C)C[C@@H](CO)[NH2+]CC1(O)CCC1 ZINC000563143532 323095265 /nfs/dbraw/zinc/09/52/65/323095265.db2.gz SHGBXZUDKCKGFY-JTQLQIEISA-N 1 0 201.310 0.898 10 0 BCAERO CCc1nnc(CN(C)[C@H]2CC[NH2+]C2)n1C ZINC000563153077 323095996 /nfs/dbraw/zinc/09/59/96/323095996.db2.gz XPMZFFFNNHSRQL-VIFPVBQESA-N 1 0 223.324 0.171 10 0 BCAERO O=C(CC1CCC1)N1CC[C@H]2OCC[NH2+][C@@H]2C1 ZINC000404023321 323101693 /nfs/dbraw/zinc/10/16/93/323101693.db2.gz ULXSUWHQFMSQSI-VXGBXAGGSA-N 1 0 238.331 0.766 10 0 BCAERO c1ccc(CN2CC[C@H]3OCC[NH2+][C@@H]3C2)nc1 ZINC000404066772 323104740 /nfs/dbraw/zinc/10/47/40/323104740.db2.gz BEUSYQAHNQLNNA-CHWSQXEVSA-N 1 0 233.315 0.644 10 0 BCAERO c1ccc(CN2CC[C@H]3OCC[NH2+][C@H]3C2)nc1 ZINC000404066777 323104830 /nfs/dbraw/zinc/10/48/30/323104830.db2.gz BEUSYQAHNQLNNA-QWHCGFSZSA-N 1 0 233.315 0.644 10 0 BCAERO CC[C@H](C)C(=O)N1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC000404061998 323104837 /nfs/dbraw/zinc/10/48/37/323104837.db2.gz MKCNAXOEAZMROB-DCAQKATOSA-N 1 0 226.320 0.622 10 0 BCAERO CC(C)(C)[C@H](O)C[NH2+][C@@H](CO)CC(F)F ZINC000563536444 323128981 /nfs/dbraw/zinc/12/89/81/323128981.db2.gz KXQXPJWMTKMKHV-HTQZYQBOSA-N 1 0 225.279 0.999 10 0 BCAERO Cc1ccc(NC(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)cc1 ZINC000414654436 323151006 /nfs/dbraw/zinc/15/10/06/323151006.db2.gz FZQLTHGIAYPOAU-JQWIXIFHSA-N 1 0 249.314 0.697 10 0 BCAERO Cc1ccc(NC(=O)NC[C@@H]2C[NH2+]C[C@H]2O)cc1 ZINC000414654432 323151008 /nfs/dbraw/zinc/15/10/08/323151008.db2.gz FZQLTHGIAYPOAU-CMPLNLGQSA-N 1 0 249.314 0.697 10 0 BCAERO COc1ccccc1CN(C)[C@H]1C[NH2+]C[C@@H]1O ZINC000111059496 323155823 /nfs/dbraw/zinc/15/58/23/323155823.db2.gz JVWDGECFUQILBP-RYUDHWBXSA-N 1 0 236.315 0.460 10 0 BCAERO O[C@@H]1CC[C@@H]2C[N@@H+]([C@H]3CCOC3)C[C@@H]2C1 ZINC000398862928 323194173 /nfs/dbraw/zinc/19/41/73/323194173.db2.gz RNPUSFPDGYPASG-NOOOWODRSA-N 1 0 211.305 0.868 10 0 BCAERO C[C@]1(C(=O)NCCn2ccnc2)CCC[NH2+]1 ZINC000070619101 323205158 /nfs/dbraw/zinc/20/51/58/323205158.db2.gz KICPVWOBDHCUST-LLVKDONJSA-N 1 0 222.292 0.141 10 0 BCAERO C[C@@H]1CC[NH2+][C@H](C(=O)NC[C@H](O)C(C)(C)C)C1 ZINC000324288102 323226525 /nfs/dbraw/zinc/22/65/25/323226525.db2.gz ADNBXLWEUKENBY-VWYCJHECSA-N 1 0 242.363 0.898 10 0 BCAERO COCC1(NC(=O)[C@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000309506204 323419655 /nfs/dbraw/zinc/41/96/55/323419655.db2.gz VYYCAENCLQIQII-DTWKUNHWSA-N 1 0 212.293 0.409 10 0 BCAERO C[C@@H]([NH3+])C[C@H](C)Nc1cnn(C)c(=O)c1Cl ZINC000320840227 323594313 /nfs/dbraw/zinc/59/43/13/323594313.db2.gz LBLRGMZUZZCALQ-RQJHMYQMSA-N 1 0 244.726 0.971 10 0 BCAERO C[C@@H]1C[C@]2([NH2+]CCc3nc[nH]c32)[C@H](C)O1 ZINC000400387438 323950083 /nfs/dbraw/zinc/95/00/83/323950083.db2.gz IYSIYGNIIPOFHA-FYBVGQRMSA-N 1 0 207.277 0.948 10 0 BCAERO Nc1cccc(F)c1OCC1=[NH+]CCN1 ZINC000536954333 323962374 /nfs/dbraw/zinc/96/23/74/323962374.db2.gz KNOKQRSQEQWLHI-UHFFFAOYSA-N 1 0 209.224 0.788 10 0 BCAERO COCC(=O)N[C@H]1CCCCC[NH2+]C1 ZINC000536958882 323970988 /nfs/dbraw/zinc/97/09/88/323970988.db2.gz HWLAILYNGLVWRW-VIFPVBQESA-N 1 0 200.282 0.281 10 0 BCAERO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)[C@@H]1CCCO1 ZINC000122451759 324048182 /nfs/dbraw/zinc/04/81/82/324048182.db2.gz VUUKJFJJJUJBCM-GUBZILKMSA-N 1 0 212.293 0.361 10 0 BCAERO CCOC(=O)N1CC[NH+](C[C@](C)(O)CC)CC1 ZINC000123015668 324076109 /nfs/dbraw/zinc/07/61/09/324076109.db2.gz HRVUKTVGOPCTPK-GFCCVEGCSA-N 1 0 244.335 0.922 10 0 BCAERO O[C@@H]1CCCC[C@H]1C[NH2+]CC1(O)CCOCC1 ZINC000328213955 324254041 /nfs/dbraw/zinc/25/40/41/324254041.db2.gz WDQPUBYBXVQEOR-NWDGAFQWSA-N 1 0 243.347 0.669 10 0 BCAERO Cc1ccc(C[NH+]2C[C@@H](CO)[C@H](CO)C2)o1 ZINC000529637920 324368829 /nfs/dbraw/zinc/36/88/29/324368829.db2.gz BOXFWSNLIJKUMU-QWRGUYRKSA-N 1 0 225.288 0.621 10 0 BCAERO Cc1cc(N)ncc1N1CCC[N@@H+](C)CC1 ZINC000584628905 487965680 /nfs/dbraw/zinc/96/56/80/487965680.db2.gz YUBCXMDEBRRQJR-UHFFFAOYSA-N 1 0 220.320 1.114 10 0 BCAERO COC(=O)C[C@@H](C)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000130456391 325053276 /nfs/dbraw/zinc/05/32/76/325053276.db2.gz QWLXKQHNEJSEDI-NXEZZACHSA-N 1 0 242.319 0.348 10 0 BCAERO Cc1nc(N)nc(N2CC(n3cccn3)C2)n1 ZINC000631107557 487967176 /nfs/dbraw/zinc/96/71/76/487967176.db2.gz DJQBBHOTGUGXMX-UHFFFAOYSA-N 1 0 231.263 0.020 10 0 BCAERO C[C@H]1OCC[C@H]1[NH2+]C[C@H](O)COC(C)(C)C ZINC000134540360 325364354 /nfs/dbraw/zinc/36/43/54/325364354.db2.gz SSLGXVKAQACWLY-OUAUKWLOSA-N 1 0 231.336 0.929 10 0 BCAERO C[C@@H]1COCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000248750376 325620252 /nfs/dbraw/zinc/62/02/52/325620252.db2.gz GUCNQFJFTDVXPN-IJLUTSLNSA-N 1 0 240.347 0.822 10 0 BCAERO O=C(Nc1ccccc1)[C@]1(O)CCC[NH2+]C1 ZINC000220333738 487968619 /nfs/dbraw/zinc/96/86/19/487968619.db2.gz ZHSMKTLHOIRXQV-LBPRGKRZSA-N 1 0 220.272 0.740 10 0 BCAERO C[C@@H]1CCO[C@@H]1C(=O)NCC[NH2+]C(C)(C)C ZINC000153078065 325896676 /nfs/dbraw/zinc/89/66/76/325896676.db2.gz HMSDBKGWAIDZPV-ZJUUUORDSA-N 1 0 228.336 0.916 10 0 BCAERO CCc1nnc(CN2CC[NH2+][C@@H](C)[C@@H]2C)n1C ZINC000566246559 326023335 /nfs/dbraw/zinc/02/33/35/326023335.db2.gz NZOMNYOFDQCFES-UWVGGRQHSA-N 1 0 237.351 0.560 10 0 BCAERO CCc1nnc(CN2CC[NH2+][C@H](C)[C@@H]2C)n1C ZINC000566246561 326023525 /nfs/dbraw/zinc/02/35/25/326023525.db2.gz NZOMNYOFDQCFES-ZJUUUORDSA-N 1 0 237.351 0.560 10 0 BCAERO CC(C)(O)C[NH2+]CC[C@@H](O)C(F)(F)F ZINC000566620753 326068934 /nfs/dbraw/zinc/06/89/34/326068934.db2.gz UWWPYLSDEYFTLG-ZCFIWIBFSA-N 1 0 215.215 0.660 10 0 BCAERO O=C1CCC(=O)N1CC[NH2+][C@@H]1CCCC[C@H]1O ZINC000405461517 326114198 /nfs/dbraw/zinc/11/41/98/326114198.db2.gz XAQIDGQGASENQJ-NXEZZACHSA-N 1 0 240.303 0.029 10 0 BCAERO [NH3+][C@H]1CC[C@@H](C(=O)N2CCOCC23CCC3)C1 ZINC000569014208 326386707 /nfs/dbraw/zinc/38/67/07/326386707.db2.gz NRBYKDMRDCMCDY-MNOVXSKESA-N 1 0 238.331 0.895 10 0 BCAERO CO[C@@H](C[N@@H+]1CCOC[C@@H]1CO)C1CC1 ZINC000400289407 487975366 /nfs/dbraw/zinc/97/53/66/487975366.db2.gz VRQKJLWREWGMIN-QWRGUYRKSA-N 1 0 215.293 0.105 10 0 BCAERO C[C@@H]1OCC[C@H]1NC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000134260138 487975788 /nfs/dbraw/zinc/97/57/88/487975788.db2.gz ZEWCCFSGNQFTSJ-QCLAVDOMSA-N 1 0 212.293 0.407 10 0 BCAERO C[C@@H]1OCC[C@@H]1NC(=O)CC1([NH3+])CCC1 ZINC000134254640 487975951 /nfs/dbraw/zinc/97/59/51/487975951.db2.gz GRBMQMBHCRVXNT-IUCAKERBSA-N 1 0 212.293 0.552 10 0 BCAERO C[C@@H]1OCC[C@@H]1NC(=O)CCC(C)(C)[NH3+] ZINC000134549788 487989610 /nfs/dbraw/zinc/98/96/10/487989610.db2.gz GNLYBBZJWBWJKS-IUCAKERBSA-N 1 0 214.309 0.798 10 0 BCAERO C[C@H]1OCC[C@H]1NC(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000134564321 487990044 /nfs/dbraw/zinc/99/00/44/487990044.db2.gz SQKBRJPWVAEUSP-GWOFURMSSA-N 1 0 226.320 0.668 10 0 BCAERO C[C@@H]1OCC[C@@H]1NC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000134553556 487990224 /nfs/dbraw/zinc/99/02/24/487990224.db2.gz WDIWKUOEHGLKGL-DCAQKATOSA-N 1 0 226.320 0.670 10 0 BCAERO CC(C)OCCNC(=O)C[C@H]1CCC[NH2+]C1 ZINC000159125812 487994597 /nfs/dbraw/zinc/99/45/97/487994597.db2.gz ATEHNLAZVDXFIJ-LLVKDONJSA-N 1 0 228.336 0.917 10 0 BCAERO CC(C)OCCNC(=O)[C@H]1CC[NH2+]C1 ZINC000159154647 487995919 /nfs/dbraw/zinc/99/59/19/487995919.db2.gz XGDDWUBFTQLFAU-VIFPVBQESA-N 1 0 200.282 0.137 10 0 BCAERO OC[C@H]1COCC[N@@H+]1CC[C@H]1CCCO1 ZINC000159244406 488011839 /nfs/dbraw/zinc/01/18/39/488011839.db2.gz BTSCXOHWKGTYMW-WDEREUQCSA-N 1 0 215.293 0.249 10 0 BCAERO C[C@@H]([NH2+]C[C@H](O)CN1CCCC1=O)C(C)(C)C ZINC000178866038 488022939 /nfs/dbraw/zinc/02/29/39/488022939.db2.gz SZJCMWYSXVOUBA-MNOVXSKESA-N 1 0 242.363 0.994 10 0 BCAERO C[C@H](O)CCC[N@H+](C)C[C@H]1CN(C)CCO1 ZINC000682759779 488031359 /nfs/dbraw/zinc/03/13/59/488031359.db2.gz WSECJKWANZAKHY-RYUDHWBXSA-N 1 0 230.352 0.410 10 0 BCAERO C[C@H](O)CCC[N@H+](C)C[C@@H]1CN(C)CCO1 ZINC000682759778 488031382 /nfs/dbraw/zinc/03/13/82/488031382.db2.gz WSECJKWANZAKHY-NWDGAFQWSA-N 1 0 230.352 0.410 10 0 BCAERO Cc1cc2c(NC[C@H]3COCC[NH2+]3)nccn2n1 ZINC000235981548 488035770 /nfs/dbraw/zinc/03/57/70/488035770.db2.gz BTLALCXJZFCQIF-JTQLQIEISA-N 1 0 247.302 0.438 10 0 BCAERO CC(C)([NH3+])CCC(=O)NC[C@H]1CCC[C@@H]1O ZINC000084238320 488039747 /nfs/dbraw/zinc/03/97/47/488039747.db2.gz OETXJRAVNWZWLJ-ZJUUUORDSA-N 1 0 228.336 0.781 10 0 BCAERO Cn1c2ccccc2nc1NC[C@H]1COCC[NH2+]1 ZINC000236099945 488041146 /nfs/dbraw/zinc/04/11/46/488041146.db2.gz HECQVJWTHXFXHJ-JTQLQIEISA-N 1 0 246.314 0.974 10 0 BCAERO COCCNC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000084308558 488042230 /nfs/dbraw/zinc/04/22/30/488042230.db2.gz BVNZFTJAPKPRAX-DTWKUNHWSA-N 1 0 200.282 0.124 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)Nc1nncs1 ZINC000084309060 488043156 /nfs/dbraw/zinc/04/31/56/488043156.db2.gz BRTCIVPNWNESBX-NKWVEPMBSA-N 1 0 226.305 0.852 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)NC[C@@H]1CCCO1 ZINC000084308963 488043225 /nfs/dbraw/zinc/04/32/25/488043225.db2.gz OIDAWEMTAWZJLU-GARJFASQSA-N 1 0 226.320 0.657 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)NCc1cc[nH]n1 ZINC000084310274 488043821 /nfs/dbraw/zinc/04/38/21/488043821.db2.gz WTDAFWDIRJYNMP-WPRPVWTQSA-N 1 0 222.292 0.401 10 0 BCAERO CC[C@@H](NC(=O)COC1(C)C[NH2+]C1)C(C)C ZINC000165838031 488045869 /nfs/dbraw/zinc/04/58/69/488045869.db2.gz KRBKHVICVFHELW-SNVBAGLBSA-N 1 0 228.336 0.916 10 0 BCAERO C[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H]1CCC[C@@H](O)C1 ZINC000221582405 488051458 /nfs/dbraw/zinc/05/14/58/488051458.db2.gz HESIQLWTSPEESG-ZDCRXTMVSA-N 1 0 226.320 0.404 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)N[C@H](C[NH3+])C(F)(F)F)O1 ZINC000401714962 488052681 /nfs/dbraw/zinc/05/26/81/488052681.db2.gz AFNKURVQIMVQLM-FSDSQADBSA-N 1 0 240.225 0.560 10 0 BCAERO [NH3+][C@H]1CC[C@@H](C(=O)N2CCO[C@@H]3CCC[C@@H]32)C1 ZINC000091540618 488055266 /nfs/dbraw/zinc/05/52/66/488055266.db2.gz JGXIYUPKPSRKSL-NOOOWODRSA-N 1 0 238.331 0.894 10 0 BCAERO C[C@@H]1CN(C[C@H]2C[NH2+]CCO2)C[C@@H](C)O1 ZINC000221731495 488055609 /nfs/dbraw/zinc/05/56/09/488055609.db2.gz DSNFTYXFSBURSD-GMTAPVOTSA-N 1 0 214.309 0.084 10 0 BCAERO CC[C@](C)(O)C[N@@H+]1CCC[C@](CO)(OC)C1 ZINC000401720244 488056202 /nfs/dbraw/zinc/05/62/02/488056202.db2.gz NFRXUWMTJVPVGU-RYUDHWBXSA-N 1 0 231.336 0.621 10 0 BCAERO [NH3+][C@@H]1CCC[C@H](C(=O)NCCCCO)C1 ZINC000236293608 488057028 /nfs/dbraw/zinc/05/70/28/488057028.db2.gz UXLACTFOVVTZMK-VHSXEESVSA-N 1 0 214.309 0.393 10 0 BCAERO CC(C)[C@@H]([NH3+])CC(=O)NCc1cnn(C)c1 ZINC000128998081 488062734 /nfs/dbraw/zinc/06/27/34/488062734.db2.gz FBKMJJCWNVLAQZ-JTQLQIEISA-N 1 0 224.308 0.410 10 0 BCAERO CC(C)[C@@H]([NH3+])CC(=O)N[C@H]1CCCC[C@@H]1O ZINC000129034708 488069287 /nfs/dbraw/zinc/06/92/87/488069287.db2.gz COVNHOUDEDJQFB-DCAQKATOSA-N 1 0 228.336 0.780 10 0 BCAERO COC[C@@H]([NH3+])C(=O)NC[C@H]1Cc2ccccc21 ZINC000159696856 488075049 /nfs/dbraw/zinc/07/50/49/488075049.db2.gz RVOKPGZNGCSEDT-ZYHUDNBSSA-N 1 0 234.299 0.416 10 0 BCAERO CO[C@](C)(C[NH2+]C[C@@H]1CN(C)CCO1)C1CC1 ZINC000310201289 488075172 /nfs/dbraw/zinc/07/51/72/488075172.db2.gz BXGYCCHLZUCXDN-CHWSQXEVSA-N 1 0 242.363 0.722 10 0 BCAERO CC(C)[C@@H]([NH3+])CC(=O)N[C@@H](C)c1nc[nH]n1 ZINC000225814049 488080679 /nfs/dbraw/zinc/08/06/79/488080679.db2.gz VXXYORPTDFCLLM-YUMQZZPRSA-N 1 0 225.296 0.355 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)N[C@H](C)c1nc[nH]n1 ZINC000225814094 488080824 /nfs/dbraw/zinc/08/08/24/488080824.db2.gz VXXYORPTDFCLLM-HTQZYQBOSA-N 1 0 225.296 0.355 10 0 BCAERO C[NH+](C)[C@@H]1CCN(C(=O)CCCCO)C1 ZINC000092174834 488085786 /nfs/dbraw/zinc/08/57/86/488085786.db2.gz KMQOXJMPQLJLJP-SNVBAGLBSA-N 1 0 214.309 0.312 10 0 BCAERO CCC1(NC(=O)[C@@H](C)[NH2+]C)CCOCC1 ZINC000389411333 488094434 /nfs/dbraw/zinc/09/44/34/488094434.db2.gz LSHCAXOTYZGFNB-SECBINFHSA-N 1 0 214.309 0.670 10 0 BCAERO CC(C)[C@@H]([NH3+])CC(=O)N[C@H]1CCCCNC1=O ZINC000136335299 488096039 /nfs/dbraw/zinc/09/60/39/488096039.db2.gz GJRGFTBQKAOJGU-UWVGGRQHSA-N 1 0 241.335 0.145 10 0 BCAERO O=C(C[C@H]1CC[NH2+]C1)NC[C@@H]1CCC[C@@H]1O ZINC000227642887 488096838 /nfs/dbraw/zinc/09/68/38/488096838.db2.gz QOLAQUTWPCLNNS-VWYCJHECSA-N 1 0 226.320 0.263 10 0 BCAERO CNC(=O)C(C)(C)CNC(=O)C[C@@H]([NH3+])C(C)C ZINC000230392722 488096683 /nfs/dbraw/zinc/09/66/83/488096683.db2.gz KVMNDWDCGBLAQD-SECBINFHSA-N 1 0 243.351 0.248 10 0 BCAERO CC(C)[C@@H]([NH3+])CC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000136392332 488101356 /nfs/dbraw/zinc/10/13/56/488101356.db2.gz BAYOOJPYOUYMFH-NEPJUHHUSA-N 1 0 239.363 0.666 10 0 BCAERO CCCCN(CC(N)=O)C(=O)C[C@@H]([NH3+])C(C)C ZINC000136392547 488101532 /nfs/dbraw/zinc/10/15/32/488101532.db2.gz IBHFOEMEIUBDDR-SNVBAGLBSA-N 1 0 243.351 0.474 10 0 BCAERO COCCOCCCNC(=O)C[C@H]([NH3+])C(C)C ZINC000136429761 488102294 /nfs/dbraw/zinc/10/22/94/488102294.db2.gz RITFQSWGTCQTEM-NSHDSACASA-N 1 0 246.351 0.529 10 0 BCAERO CC(C)CN(CC(N)=O)C(=O)C[C@@H]([NH3+])C(C)C ZINC000148571354 488104167 /nfs/dbraw/zinc/10/41/67/488104167.db2.gz BPZMRXPJULJAHJ-SNVBAGLBSA-N 1 0 243.351 0.330 10 0 BCAERO COC[C@@H](C)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000237156830 488106457 /nfs/dbraw/zinc/10/64/57/488106457.db2.gz BXVNTLSHCKWHKJ-NXEZZACHSA-N 1 0 214.309 0.527 10 0 BCAERO C[C@H](O)CCNC(=O)C1CCC([NH3+])CC1 ZINC000084869889 488108112 /nfs/dbraw/zinc/10/81/12/488108112.db2.gz WHEXBJFUQSYPQE-IDKOKCKLSA-N 1 0 214.309 0.391 10 0 BCAERO CCCn1nccc1C[NH2+][C@@H]1CCCNC1=O ZINC000160129856 488108615 /nfs/dbraw/zinc/10/86/15/488108615.db2.gz NNJLCKAAMRNMRG-LLVKDONJSA-N 1 0 236.319 0.661 10 0 BCAERO Cc1cnc([C@@H](C)NC(=O)[C@@H]2CC[NH2+]C2)o1 ZINC000231744124 488116288 /nfs/dbraw/zinc/11/62/88/488116288.db2.gz IUXDYRBCDFRNES-RKDXNWHRSA-N 1 0 223.276 0.770 10 0 BCAERO C[C@@H]([NH2+]C[C@H]1CNC(=O)O1)c1cnn(C)c1 ZINC000381294509 488117932 /nfs/dbraw/zinc/11/79/32/488117932.db2.gz FVHVJAZRSCOLEQ-APPZFPTMSA-N 1 0 224.264 0.179 10 0 BCAERO CN(Cc1cn[nH]c1)C(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000085013489 488122701 /nfs/dbraw/zinc/12/27/01/488122701.db2.gz FDOBZAQSWZLMQK-NXEZZACHSA-N 1 0 222.292 0.496 10 0 BCAERO O=C(NC[C@H]1CCCO1)NC[C@@H]1CC[NH2+]C1 ZINC000258678238 488126778 /nfs/dbraw/zinc/12/67/78/488126778.db2.gz TUHCNKCUGZGPRG-NXEZZACHSA-N 1 0 227.308 0.074 10 0 BCAERO CCCCNC(=O)N1CCC(O)(C[NH3+])CC1 ZINC000397023394 487537860 /nfs/dbraw/zinc/53/78/60/487537860.db2.gz IFRBQVXCLNXNMK-UHFFFAOYSA-N 1 0 229.324 0.282 10 0 BCAERO [NH3+]Cc1ccc(C(=O)N[C@@H]2CCC[C@@H](O)C2)o1 ZINC000094565657 487540684 /nfs/dbraw/zinc/54/06/84/487540684.db2.gz UJCAAKSGZYHEEH-RKDXNWHRSA-N 1 0 238.287 0.772 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)O1 ZINC000382426158 487542518 /nfs/dbraw/zinc/54/25/18/487542518.db2.gz MSCWKSPTLFDPDU-GWOFURMSSA-N 1 0 226.320 0.940 10 0 BCAERO OC[C@H]1COCCN1CCOc1ccccc1 ZINC000168819985 487543534 /nfs/dbraw/zinc/54/35/34/487543534.db2.gz WYNCDJIMEFHPNT-LBPRGKRZSA-N 1 0 237.299 0.759 10 0 BCAERO CCn1ccc(NC(=O)[C@H]2CC[C@@H]([NH3+])C2)n1 ZINC000300908541 487549254 /nfs/dbraw/zinc/54/92/54/487549254.db2.gz RIOUVOBALUEEKQ-DTWKUNHWSA-N 1 0 222.292 0.969 10 0 BCAERO C[NH2+][C@@H](C)C(=O)N[C@H](C)[C@@H]1CCCO1 ZINC000227152414 487555430 /nfs/dbraw/zinc/55/54/30/487555430.db2.gz FLQWRWZVZYUIIN-VGMNWLOBSA-N 1 0 200.282 0.278 10 0 BCAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]C[C@@H]1CCC[C@H](O)C1 ZINC000392874841 487556141 /nfs/dbraw/zinc/55/61/41/487556141.db2.gz GELXNOADONJYKA-USZNOCQGSA-N 1 0 240.347 0.794 10 0 BCAERO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1C(=O)NC[C@@H]1CC[NH2+]C1 ZINC000133687218 487471135 /nfs/dbraw/zinc/47/11/35/487471135.db2.gz WACAJZVKPOEWTE-IYKVGLELSA-N 1 0 240.347 0.772 10 0 BCAERO Cc1cnc([C@@H](C)NC(=O)CCC[NH3+])o1 ZINC000231744398 487474074 /nfs/dbraw/zinc/47/40/74/487474074.db2.gz HXRIJCGVYVOPKV-MRVPVSSYSA-N 1 0 211.265 0.899 10 0 BCAERO C[NH2+][C@H](C)C(=O)N1CCCC(F)(F)C1 ZINC000405143799 487475978 /nfs/dbraw/zinc/47/59/78/487475978.db2.gz ZQHDGOXEFRPNSZ-SSDOTTSWSA-N 1 0 206.236 0.852 10 0 BCAERO CC[C@@H](C)[C@H]([NH3+])C(=O)NCc1ccno1 ZINC000231892239 487488221 /nfs/dbraw/zinc/48/82/21/487488221.db2.gz OBBXRIWSDMYNHR-APPZFPTMSA-N 1 0 211.265 0.664 10 0 BCAERO CC(C)[N@H+](C)C[C@H](O)CN1C[C@H](O)CC[C@H]1C ZINC000399504946 487488682 /nfs/dbraw/zinc/48/86/82/487488682.db2.gz XPVIIOLKMDIJPQ-UPJWGTAASA-N 1 0 244.379 0.533 10 0 BCAERO CCOc1cc(N2C[C@H](C)[C@H]([NH3+])C2)nc(C)n1 ZINC000300047123 487498984 /nfs/dbraw/zinc/49/89/84/487498984.db2.gz CTFVXUFLLZNABL-WCBMZHEXSA-N 1 0 236.319 0.967 10 0 BCAERO COC[C@H](C)NC[C@@H](O)C[N@H+](C)C(C)C ZINC000308791188 487494196 /nfs/dbraw/zinc/49/41/96/487494196.db2.gz BBRGUJAIRFWXAD-WDEREUQCSA-N 1 0 218.341 0.312 10 0 BCAERO C[C@H]1[NH2+]CC[C@H]1C(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000086270495 487494247 /nfs/dbraw/zinc/49/42/47/487494247.db2.gz YTWCWMRMDZJANE-GWOFURMSSA-N 1 0 226.320 0.620 10 0 BCAERO C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCC[C@@H]1CCCO1 ZINC000086271397 487494998 /nfs/dbraw/zinc/49/49/98/487494998.db2.gz XBLMMFPIDFMWMB-DCAQKATOSA-N 1 0 226.320 0.670 10 0 BCAERO C[C@]1(NC(=O)[C@@H]2C[C@H]3C[C@H]3C2)CC[NH2+]C1 ZINC000300244086 487505813 /nfs/dbraw/zinc/50/58/13/487505813.db2.gz WBJYHYWYAAHIIP-WYFGTUCQSA-N 1 0 208.305 0.901 10 0 BCAERO C[C@@H](N[C@H]1CC[NH2+]C1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000094085873 487512493 /nfs/dbraw/zinc/51/24/93/487512493.db2.gz KVYHZGXDHGFTEJ-SCZZXKLOSA-N 1 0 246.314 0.869 10 0 BCAERO CO[C@H](C[NH3+])CC(=O)NCC[C@H]1CCCO1 ZINC000232117281 487513927 /nfs/dbraw/zinc/51/39/27/487513927.db2.gz MWPXSAFWRRDLSN-ZJUUUORDSA-N 1 0 230.308 0.036 10 0 BCAERO C[C@]1(C(=O)N[C@@H]2CCC[C@@H](O)C2)CCC[NH2+]1 ZINC000227079048 487509456 /nfs/dbraw/zinc/50/94/56/487509456.db2.gz QCGOZPIZZIYOPI-CKYFFXLPSA-N 1 0 226.320 0.548 10 0 BCAERO C[N@H+](CCOCCO)C[C@@H]1CCC[C@H](O)C1 ZINC000381648382 487517481 /nfs/dbraw/zinc/51/74/81/487517481.db2.gz QYNGDAPQKDCFBO-NEPJUHHUSA-N 1 0 231.336 0.478 10 0 BCAERO CC(C)[C@H](NC(=O)[C@H]1COCCN1)C1CC1 ZINC000324097361 487521582 /nfs/dbraw/zinc/52/15/82/487521582.db2.gz IJDKIMJPXYGSEC-MNOVXSKESA-N 1 0 226.320 0.526 10 0 BCAERO CCC[C@@H]1C[C@@H]1NC(=O)c1cn(CC[NH3+])nn1 ZINC000300587513 487522224 /nfs/dbraw/zinc/52/22/24/487522224.db2.gz QIXZYUYVPNVVQZ-BDAKNGLRSA-N 1 0 237.307 0.155 10 0 BCAERO CO[C@@H]1C[C@@H](CO)[N@H+](Cc2oc(C)nc2C)C1 ZINC000685584297 487559095 /nfs/dbraw/zinc/55/90/95/487559095.db2.gz XWMZCISAFMNSPJ-WDEREUQCSA-N 1 0 240.303 0.873 10 0 BCAERO C[C@@H]1CN(C(=O)CC2([NH3+])CCC2)C[C@@H](C)O1 ZINC000086852959 487568735 /nfs/dbraw/zinc/56/87/35/487568735.db2.gz AWOSEICRFAOGJO-NXEZZACHSA-N 1 0 226.320 0.894 10 0 BCAERO CC(C)NC(=O)CCNC(=O)C[C@@H]([NH3+])C(C)C ZINC000228383016 487632989 /nfs/dbraw/zinc/63/29/89/487632989.db2.gz JEKSMKQUSJTQRW-SNVBAGLBSA-N 1 0 243.351 0.391 10 0 BCAERO O=C(NC1CCCCC1)[C@@]1(O)CCC[NH2+]C1 ZINC000220495037 487985726 /nfs/dbraw/zinc/98/57/26/487985726.db2.gz DLVZUELHTDSQGL-GFCCVEGCSA-N 1 0 226.320 0.550 10 0 BCAERO C[C@H](CO)[N@H+](C)C[C@H]1CCC[C@@H](O)C1 ZINC000379641809 488145303 /nfs/dbraw/zinc/14/53/03/488145303.db2.gz VPFOOSQYPBBUOX-OUAUKWLOSA-N 1 0 201.310 0.850 10 0 BCAERO C[C@H](O)C[N@H+](C)C[C@H]1CCC[C@H](O)C1 ZINC000379648597 488145751 /nfs/dbraw/zinc/14/57/51/488145751.db2.gz BTGAMHVSMBPONA-DCAQKATOSA-N 1 0 201.310 0.850 10 0 BCAERO O=C1N(Cc2cccnc2)C[C@H]2C[NH2+]CCN12 ZINC000077266562 488160911 /nfs/dbraw/zinc/16/09/11/488160911.db2.gz YZSGHBODJAIBOG-LLVKDONJSA-N 1 0 232.287 0.291 10 0 BCAERO CN(C)C(=O)C[NH2+][C@H]1CO[C@@H](C2CC2)C1 ZINC000667931521 488161149 /nfs/dbraw/zinc/16/11/49/488161149.db2.gz HBGNBUCTINAILI-NXEZZACHSA-N 1 0 212.293 0.232 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCCc2n[nH]cc2C1 ZINC000404606724 488172408 /nfs/dbraw/zinc/17/24/08/488172408.db2.gz CQKJGEYWBNDOST-MWLCHTKSSA-N 1 0 248.330 0.540 10 0 BCAERO OCCN1CCC([NH2+][C@@H]2CCCC[C@H]2O)CC1 ZINC000398955012 488173210 /nfs/dbraw/zinc/17/32/10/488173210.db2.gz HBGJDLCZVLYTMU-CHWSQXEVSA-N 1 0 242.363 0.336 10 0 BCAERO C[C@H]([NH2+]CC(C)(C)NS(C)(=O)=O)[C@@H]1C[C@H]1C ZINC000322226547 488174902 /nfs/dbraw/zinc/17/49/02/488174902.db2.gz YPUCOLCPQPJHSD-KXUCPTDWSA-N 1 0 248.392 0.948 10 0 BCAERO C[C@@H]([NH2+]CC(C)(C)NS(C)(=O)=O)[C@@H]1C[C@H]1C ZINC000322226548 488175415 /nfs/dbraw/zinc/17/54/15/488175415.db2.gz YPUCOLCPQPJHSD-OPRDCNLKSA-N 1 0 248.392 0.948 10 0 BCAERO CC(C)[C@@H]([NH3+])CC(=O)NCCCn1ccnc1 ZINC000136309492 488178913 /nfs/dbraw/zinc/17/89/13/488178913.db2.gz BSEJAFULAOZMEQ-NSHDSACASA-N 1 0 238.335 0.763 10 0 BCAERO CO[C@]1(CO)CCC[N@@H+]([C@@H]2CCC[C@H]2O)C1 ZINC000401717359 488187357 /nfs/dbraw/zinc/18/73/57/488187357.db2.gz LVIONNBDRIFTJH-IJLUTSLNSA-N 1 0 229.320 0.373 10 0 BCAERO C[NH+](C)[C@@H]1CCN(C(=O)CC2([NH3+])CC2)C1 ZINC000398069785 488206949 /nfs/dbraw/zinc/20/69/49/488206949.db2.gz LNMXLVBUCRPMIB-SECBINFHSA-N 1 0 211.309 0.030 10 0 BCAERO C([C@@H]1C[NH2+]CCO1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000043803068 488207447 /nfs/dbraw/zinc/20/74/47/488207447.db2.gz WVSVMKIYTSYOJV-YNEHKIRRSA-N 1 0 240.347 0.618 10 0 BCAERO C[C@@H](NC(=O)CC1([NH3+])CC1)[C@@H]1CCCO1 ZINC000398164881 488213403 /nfs/dbraw/zinc/21/34/03/488213403.db2.gz JDZWPIFEJCLIEB-BDAKNGLRSA-N 1 0 212.293 0.552 10 0 BCAERO O=C([C@H]1C[C@@H](O)C[NH2+]1)N1CCC2(CCC2)CC1 ZINC000308702113 488215448 /nfs/dbraw/zinc/21/54/48/488215448.db2.gz UELCICQUHJKZQW-GHMZBOCLSA-N 1 0 238.331 0.502 10 0 BCAERO CCN1CCO[C@H](C[NH2+]Cc2cc(C)no2)C1 ZINC000078641855 488216753 /nfs/dbraw/zinc/21/67/53/488216753.db2.gz MLNNOIGWZMOQSV-GFCCVEGCSA-N 1 0 239.319 0.793 10 0 BCAERO NC(=O)[C@]1(O)CCC[N@H+](CCC2CCC2)C1 ZINC000398476599 488218693 /nfs/dbraw/zinc/21/86/93/488218693.db2.gz RPAPDRCVHILQTG-LBPRGKRZSA-N 1 0 226.320 0.489 10 0 BCAERO O=C(NC[C@@H]1CCCC[C@H]1O)[C@@H]1CCCC[NH2+]1 ZINC000085985859 488222474 /nfs/dbraw/zinc/22/24/74/488222474.db2.gz ONCIPPJFPLZSKW-SDDRHHMPSA-N 1 0 240.347 0.796 10 0 BCAERO C[C@H]1CC[C@@H](O)C[N@@H+]1CCCC(=O)N(C)C ZINC000399253540 488228731 /nfs/dbraw/zinc/22/87/31/488228731.db2.gz PTAMYGVSSAWIOD-WDEREUQCSA-N 1 0 228.336 0.700 10 0 BCAERO Cc1nnc2n1C[C@H]([NH2+][C@@H]1CCSC1)CC2 ZINC000309869150 490089740 /nfs/dbraw/zinc/08/97/40/490089740.db2.gz PTZPJMIGDRKTGM-NXEZZACHSA-N 1 0 238.360 0.996 10 0 BCAERO COC[C@@H](O)C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000068890987 490133516 /nfs/dbraw/zinc/13/35/16/490133516.db2.gz QQJWDXBBBSVCJA-GUBZILKMSA-N 1 0 203.282 0.103 10 0 BCAERO O=S1(=O)CCC[C@@H]([NH2+]CC[C@@H]2CCCO2)C1 ZINC000068940096 490135680 /nfs/dbraw/zinc/13/56/80/490135680.db2.gz AORDVXDXMUEBAU-MNOVXSKESA-N 1 0 247.360 0.722 10 0 BCAERO OCC1([NH2+]C[C@H]2CCC[C@H](O)C2)CCOCC1 ZINC000383556232 490163414 /nfs/dbraw/zinc/16/34/14/490163414.db2.gz YVVXGEMPDWYNBW-RYUDHWBXSA-N 1 0 243.347 0.669 10 0 BCAERO C[C@@H]1CN(C(=O)[C@@H]2CCC[C@H]2C[NH3+])CCCO1 ZINC000251701023 490260273 /nfs/dbraw/zinc/26/02/73/490260273.db2.gz IWFDIYHOVGRRKB-GRYCIOLGSA-N 1 0 240.347 0.999 10 0 BCAERO COc1cccnc1NC[C@@H]1C[NH2+]CCCO1 ZINC000389894339 490273686 /nfs/dbraw/zinc/27/36/86/490273686.db2.gz LKYHYBJGVJRHTR-JTQLQIEISA-N 1 0 237.303 0.881 10 0 BCAERO C[NH2+][C@@H](C)C(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000216144488 490355891 /nfs/dbraw/zinc/35/58/91/490355891.db2.gz YHNLCGJRCJQLNA-CIUDSAMLSA-N 1 0 200.282 0.230 10 0 BCAERO CC[C@H](C)[C@@H]([NH3+])C(=O)N1CC[C@H](NC(C)=O)C1 ZINC000131004599 490467636 /nfs/dbraw/zinc/46/76/36/490467636.db2.gz BQIOOVCFHSLEII-INTQDDNPSA-N 1 0 241.335 0.097 10 0 BCAERO CO[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CN(C)CCO2)C1 ZINC000217778750 490484191 /nfs/dbraw/zinc/48/41/91/490484191.db2.gz XHWICAVGAWIEFM-JHJVBQTASA-N 1 0 242.363 0.864 10 0 BCAERO Cc1nn(C)cc1C[NH2+][C@@H]1CCO[C@H]1C ZINC000126287875 490487383 /nfs/dbraw/zinc/48/73/83/490487383.db2.gz NCDDXRSLFJMMNI-GXSJLCMTSA-N 1 0 209.293 0.996 10 0 BCAERO CO[C@@H]1C[C@H](CO)[N@H+](Cc2ccncc2)C1 ZINC000309305003 490691047 /nfs/dbraw/zinc/69/10/47/490691047.db2.gz VIWJVUNLJXVYOR-VXGBXAGGSA-N 1 0 222.288 0.663 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)O1 ZINC000226600819 491118217 /nfs/dbraw/zinc/11/82/17/491118217.db2.gz ICCVHNGDCALJOU-GWOFURMSSA-N 1 0 226.320 0.811 10 0 BCAERO Cc1cc(CN2C[C@@H](F)C[C@@H]2C[NH3+])on1 ZINC000396503791 491123263 /nfs/dbraw/zinc/12/32/63/491123263.db2.gz YSBVDQGUDNYDDF-DTWKUNHWSA-N 1 0 213.256 0.854 10 0 BCAERO C[C@@H](CS(C)(=O)=O)[NH2+]CC[C@@H]1CCCO1 ZINC000081900766 491137040 /nfs/dbraw/zinc/13/70/40/491137040.db2.gz BFUGJAWGEGXAKV-UWVGGRQHSA-N 1 0 235.349 0.578 10 0 BCAERO CC(C)[C@@H]1C[NH2+][C@@]2(CCS(=O)(=O)C2)OC1 ZINC000757139930 582520131 /nfs/dbraw/zinc/52/01/31/582520131.db2.gz ADFXIMGVVDVBDM-ZJUUUORDSA-N 1 0 233.333 0.393 10 0 BCAERO [NH3+]C[C@@H]1CCN1c1ccn2nccc2n1 ZINC000757140839 582521564 /nfs/dbraw/zinc/52/15/64/582521564.db2.gz FPZNZSDFJUBGOJ-QMMMGPOBSA-N 1 0 203.249 0.267 10 0 BCAERO CC(C)(C)[C@H]1C[NH2+][C@]2(CCS(=O)(=O)C2)OC1 ZINC000757145796 582528725 /nfs/dbraw/zinc/52/87/25/582528725.db2.gz ITRAIVOBRXNGKC-GXSJLCMTSA-N 1 0 247.360 0.783 10 0 BCAERO Cc1cc(CN2CC[C@@H]2C[NH3+])nc(C)n1 ZINC000757146361 582529747 /nfs/dbraw/zinc/52/97/47/582529747.db2.gz QHZLTTIVHPXZEL-LLVKDONJSA-N 1 0 206.293 0.626 10 0 BCAERO CCCN(C)S(=O)(=O)C[C@H]([NH3+])C(C)C ZINC000757151441 582536087 /nfs/dbraw/zinc/53/60/87/582536087.db2.gz HAQIJIFLSTXGSN-VIFPVBQESA-N 1 0 222.354 0.641 10 0 BCAERO COC(=O)[C@H](CO)C1CC[NH+](C2CC2)CC1 ZINC000757192200 582556515 /nfs/dbraw/zinc/55/65/15/582556515.db2.gz OLLVAJBRDWDQLN-LLVKDONJSA-N 1 0 227.304 0.642 10 0 BCAERO C[C@@H]1COCC[C@]12[NH2+]CCc1nc[nH]c12 ZINC000400502115 582579583 /nfs/dbraw/zinc/57/95/83/582579583.db2.gz HHEOHLATFQZSBE-KCJUWKMLSA-N 1 0 207.277 0.807 10 0 BCAERO Cc1nn(C)c2nn3c(c12)NCC[C@H]3C[NH3+] ZINC000235959071 582632523 /nfs/dbraw/zinc/63/25/23/582632523.db2.gz DOCJHJIGRWLYLJ-ZETCQYMHSA-N 1 0 220.280 0.394 10 0 BCAERO [NH3+]CCCc1nc(C2CCOCC2)no1 ZINC000074149376 582652920 /nfs/dbraw/zinc/65/29/20/582652920.db2.gz SMIFFLJMZAMHAN-UHFFFAOYSA-N 1 0 211.265 0.855 10 0 BCAERO CCN(CC)S(=O)(=O)N[C@H]1CCC[NH2+][C@@H]1C ZINC000085727523 535625989 /nfs/dbraw/zinc/62/59/89/535625989.db2.gz NFNBCYRUABMEER-ZJUUUORDSA-N 1 0 249.380 0.303 10 0 BCAERO COC(=O)N[C@H](C(=O)NCC[C@@H](C)[NH3+])C(C)C ZINC000178619744 534174567 /nfs/dbraw/zinc/17/45/67/534174567.db2.gz SIVNSWBGCWVHOZ-BDAKNGLRSA-N 1 0 245.323 0.221 10 0 BCAERO [NH3+]Cc1ccccc1NC(=O)[C@@H]1COCCO1 ZINC000104304910 518197483 /nfs/dbraw/zinc/19/74/83/518197483.db2.gz GCJWTSQWZFEXRQ-NSHDSACASA-N 1 0 236.271 0.499 10 0 BCAERO CC(=O)Oc1ccccc1C(=O)N1CC[C@@H]([NH3+])C1 ZINC000229017969 519759739 /nfs/dbraw/zinc/75/97/39/519759739.db2.gz OHMZIDIZDJYYDE-SNVBAGLBSA-N 1 0 248.282 0.785 10 0 BCAERO CCCn1c(=O)n(C)nc1C1CC[NH2+]CC1 ZINC000229004282 521619651 /nfs/dbraw/zinc/61/96/51/521619651.db2.gz FFQKYXRFYJAXCC-UHFFFAOYSA-N 1 0 224.308 0.459 10 0 BCAERO CC(C)(C)CCC(=O)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262062613 534577514 /nfs/dbraw/zinc/57/75/14/534577514.db2.gz AZHXRHLPPOJDDE-ZJUUUORDSA-N 1 0 228.336 0.509 10 0 BCAERO C[NH2+]C1(C(=O)[O-])C[C@@H](C)[NH+](C)[C@H](C)C1 ZINC000057354483 521948630 /nfs/dbraw/zinc/94/86/30/521948630.db2.gz SDDAXJMPDGGRKY-HTQZYQBOSA-N 1 0 200.282 0.532 10 0 BCAERO COC(=O)c1sc(NCC[NH+](C)C)nc1N ZINC000229009282 522429693 /nfs/dbraw/zinc/42/96/93/522429693.db2.gz LOOMTTNEAJNWHY-UHFFFAOYSA-N 1 0 244.320 0.485 10 0 BCAERO CC(C)(C)C[C@H](O)CN[C@H]1CC[NH2+]C1 ZINC000226071372 534651192 /nfs/dbraw/zinc/65/11/92/534651192.db2.gz DQEUWUHMLBXVJI-UWVGGRQHSA-N 1 0 200.326 0.735 10 0 BCAERO CC(C)(C)NC(=O)CNC(=O)C[C@@H]1CC[NH2+]C1 ZINC000089741446 534697457 /nfs/dbraw/zinc/69/74/57/534697457.db2.gz ZQTCBBNPFRFJOJ-VIFPVBQESA-N 1 0 241.335 0.017 10 0 BCAERO CC(C)(C)[NH2+]CCN1CCC[C@@H]1C(N)=O ZINC000230978110 534719813 /nfs/dbraw/zinc/71/98/13/534719813.db2.gz AIZRHLFNWMENLH-SECBINFHSA-N 1 0 213.325 0.324 10 0 BCAERO COCCNc1nc(C(C)C)cc(NN)[nH+]1 ZINC000057331658 523966519 /nfs/dbraw/zinc/96/65/19/523966519.db2.gz PZTJKFJPCVZQAI-UHFFFAOYSA-N 1 0 225.296 0.944 10 0 BCAERO C[C@@H]1CCC[C@H]1[NH2+][C@H]1CCS(=O)(=O)C1 ZINC000238853099 524427977 /nfs/dbraw/zinc/42/79/77/524427977.db2.gz IKFBCOUHOSRGOR-KXUCPTDWSA-N 1 0 217.334 0.952 10 0 BCAERO Cc1cc(C)cc(S(=O)(=O)N[C@H](C)C[NH3+])c1 ZINC000082578405 524457457 /nfs/dbraw/zinc/45/74/57/524457457.db2.gz XJXLYXFCJBUGIZ-SNVBAGLBSA-N 1 0 242.344 0.929 10 0 BCAERO O=C1NC[C@H](C[N@H+]2[C@@H]3CC[C@H]2CC(=O)C3)O1 ZINC000497104892 534786238 /nfs/dbraw/zinc/78/62/38/534786238.db2.gz DNVLBPVLIBOMNF-KHQFGBGNSA-N 1 0 224.260 0.291 10 0 BCAERO Cc1nccn1CCC[C@](C)([NH3+])C(N)=O ZINC000045432563 582879096 /nfs/dbraw/zinc/87/90/96/582879096.db2.gz DYXXDFVLHPUHJL-JTQLQIEISA-N 1 0 210.281 0.174 10 0 BCAERO COC(=O)[C@@](C)([NH3+])CCn1cc(C)cn1 ZINC000045436445 582879530 /nfs/dbraw/zinc/87/95/30/582879530.db2.gz WURCCDKHYVESRU-JTQLQIEISA-N 1 0 211.265 0.472 10 0 BCAERO COC(=O)[C@@](C)([NH3+])CCn1ccnc1C ZINC000045433076 582879537 /nfs/dbraw/zinc/87/95/37/582879537.db2.gz QUOSTUWKOROTJB-JTQLQIEISA-N 1 0 211.265 0.472 10 0 BCAERO C[NH2+][C@@](C)(CCn1cc(Cl)cn1)C(N)=O ZINC000045436993 582879964 /nfs/dbraw/zinc/87/99/64/582879964.db2.gz DPAIJCDTYWGBJK-VIFPVBQESA-N 1 0 230.699 0.390 10 0 BCAERO C[NH2+][C@H](C)CNS(=O)(=O)Cc1cc(C)no1 ZINC000261866618 536402725 /nfs/dbraw/zinc/40/27/25/536402725.db2.gz ZBZDKTSJFLUZPC-MRVPVSSYSA-N 1 0 247.320 0.010 10 0 BCAERO Cc1ccc(C(=O)NCCOCC[NH3+])cc1 ZINC000074533350 526168476 /nfs/dbraw/zinc/16/84/76/526168476.db2.gz DLQFDHCDDCRDEM-UHFFFAOYSA-N 1 0 222.288 0.700 10 0 BCAERO CN1CCO[C@@H](C[NH2+]CC[C@@H]2CCOC2)C1 ZINC000220698841 536436071 /nfs/dbraw/zinc/43/60/71/536436071.db2.gz WBSJSYGTEDRHSV-NEPJUHHUSA-N 1 0 228.336 0.333 10 0 BCAERO C[NH2+]CC(=O)NC[C@H](O)c1ccc(Cl)s1 ZINC000261552713 536440779 /nfs/dbraw/zinc/44/07/79/536440779.db2.gz RSCYQLVRVXIXJC-LURJTMIESA-N 1 0 248.735 0.771 10 0 BCAERO COC(=O)CN1C[C@@H](C)[C@H]([NH+](C)C)C1 ZINC000227228565 536471908 /nfs/dbraw/zinc/47/19/08/536471908.db2.gz OYBAYFUQODCEOQ-RKDXNWHRSA-N 1 0 200.282 0.041 10 0 BCAERO COC(=O)CN1C[C@H](C)[C@H]([NH+](C)C)C1 ZINC000227228574 536473278 /nfs/dbraw/zinc/47/32/78/536473278.db2.gz OYBAYFUQODCEOQ-DTWKUNHWSA-N 1 0 200.282 0.041 10 0 BCAERO COCCOCC[N@@H+]1CCC[C@@H](NC(C)=O)C1 ZINC000175584639 536499336 /nfs/dbraw/zinc/49/93/36/536499336.db2.gz MPJIOLXLCYODLB-GFCCVEGCSA-N 1 0 244.335 0.250 10 0 BCAERO Cn1c(N2CC[C@@H]([NH3+])C2)nc2ccccc2c1=O ZINC000229004102 527074941 /nfs/dbraw/zinc/07/49/41/527074941.db2.gz FMEYAZZTVZUCBG-SECBINFHSA-N 1 0 244.298 0.471 10 0 BCAERO [NH3+]CCOCCNC(=O)c1ccc(F)cc1 ZINC000074533360 527188707 /nfs/dbraw/zinc/18/87/07/527188707.db2.gz SJSHJMJDTMJASC-UHFFFAOYSA-N 1 0 226.251 0.531 10 0 BCAERO [NH3+]CCOCCNC(=O)COc1ccccc1 ZINC000074533447 527189791 /nfs/dbraw/zinc/18/97/91/527189791.db2.gz LJNAIVXYYYVXME-UHFFFAOYSA-N 1 0 238.287 0.157 10 0 BCAERO CC1(CO)CC[NH+](C[C@H]2CNC(=O)O2)CC1 ZINC000401762792 528000545 /nfs/dbraw/zinc/00/05/45/528000545.db2.gz WGCSCRAJNNOFDL-SECBINFHSA-N 1 0 228.292 0.189 10 0 BCAERO CC(C)OC[C@@H](O)C[N@@H+]1C[C@H](C)C[C@H](O)C1 ZINC000401942695 528012167 /nfs/dbraw/zinc/01/21/67/528012167.db2.gz HWSOXYZLXAITAV-WOPDTQHZSA-N 1 0 231.336 0.475 10 0 BCAERO CC(C)CNC(=O)[C@H](C)[N@@H+]1C[C@H](C)C[C@@H](O)C1 ZINC000401657477 528056620 /nfs/dbraw/zinc/05/66/20/528056620.db2.gz NXGKVDNPNPXAQL-GRYCIOLGSA-N 1 0 242.363 0.850 10 0 BCAERO CCN(CC)C(=O)[C@H](C)[N@@H+]1C[C@H](C)C[C@H](O)C1 ZINC000401636841 528058373 /nfs/dbraw/zinc/05/83/73/528058373.db2.gz CIELGCOPVZQYMU-WOPDTQHZSA-N 1 0 242.363 0.946 10 0 BCAERO CCCNC(=O)[C@H](C)[N@@H+]1C[C@H](C)C[C@H](O)C1 ZINC000401736041 528435533 /nfs/dbraw/zinc/43/55/33/528435533.db2.gz GNLIAIPILLRSHG-VWYCJHECSA-N 1 0 228.336 0.604 10 0 BCAERO CCCCOC[C@@H](O)C[N@@H+]1CC[C@H](OC)C1 ZINC000300228980 528617229 /nfs/dbraw/zinc/61/72/29/528617229.db2.gz KBFGKOSOCBXJGZ-RYUDHWBXSA-N 1 0 231.336 0.885 10 0 BCAERO CCCCOC[C@H](O)C[N@@H+]1CC[C@H](OC)C1 ZINC000300228979 528625113 /nfs/dbraw/zinc/62/51/13/528625113.db2.gz KBFGKOSOCBXJGZ-NEPJUHHUSA-N 1 0 231.336 0.885 10 0 BCAERO CCCCOC[C@H](O)C[N@@H+]1C[C@H](C)C[C@H](O)C1 ZINC000401580848 528625497 /nfs/dbraw/zinc/62/54/97/528625497.db2.gz JXFVUYUYZXLUHX-FRRDWIJNSA-N 1 0 245.363 0.867 10 0 BCAERO CC(C)NC(=O)CC[N@@H+]1C[C@H](C)C[C@H](O)C1 ZINC000401751195 529121852 /nfs/dbraw/zinc/12/18/52/529121852.db2.gz NSYPDFJRFNHNND-MNOVXSKESA-N 1 0 228.336 0.604 10 0 BCAERO CC(C)N(C)C(=O)C[N@H+](C)CC1CC(O)C1 ZINC000084453883 534964272 /nfs/dbraw/zinc/96/42/72/534964272.db2.gz QYBOEAOFIARBBO-UHFFFAOYSA-N 1 0 228.336 0.556 10 0 BCAERO CC(C)N(C)C(=O)CN1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261544926 534968827 /nfs/dbraw/zinc/96/88/27/534968827.db2.gz FGOSGMUZAFPQLW-NWDGAFQWSA-N 1 0 239.363 0.395 10 0 BCAERO CCC(CC)(NC(=O)[C@H]1CC[C@H]([NH3+])C1)C(N)=O ZINC000262630927 535001545 /nfs/dbraw/zinc/00/15/45/535001545.db2.gz WFXOKUXBQZOUAA-IUCAKERBSA-N 1 0 241.335 0.274 10 0 BCAERO CC(C)N(CC(N)=O)C(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000261963021 535045898 /nfs/dbraw/zinc/04/58/98/535045898.db2.gz KTKCZNKFQSCIAB-VHSXEESVSA-N 1 0 241.335 0.226 10 0 BCAERO CC(C)[C@H](O)C(C)(C)CNC(=O)C1C[NH2+]C1 ZINC000263242969 535133181 /nfs/dbraw/zinc/13/31/81/535133181.db2.gz CMJAYQUSTCLMPZ-JTQLQIEISA-N 1 0 228.336 0.365 10 0 BCAERO CC1(CNC(=O)[C@@]2(C)CCC[NH2+]C2)COC1 ZINC000087197823 535146518 /nfs/dbraw/zinc/14/65/18/535146518.db2.gz OJVMQXQWFJWKEN-LBPRGKRZSA-N 1 0 226.320 0.529 10 0 BCAERO CC(C)N1C[C@H]([NH2+][C@H](C)CC(N)=O)[C@@H](C)C1 ZINC000252726980 535266123 /nfs/dbraw/zinc/26/61/23/535266123.db2.gz JUOFMTDZVJMFKO-AXFHLTTASA-N 1 0 227.352 0.569 10 0 BCAERO CCC[C@@H](C(=O)Nc1nncn1C)[NH+](C)C ZINC000164128691 535319421 /nfs/dbraw/zinc/31/94/21/535319421.db2.gz SGLHKYCQEUSYTE-QMMMGPOBSA-N 1 0 225.296 0.484 10 0 BCAERO CC1(C)CN(C(=O)Cc2ccon2)CC[C@@H]1[NH3+] ZINC000262166326 535336634 /nfs/dbraw/zinc/33/66/34/535336634.db2.gz YHVWQFRLYXBIOI-JTQLQIEISA-N 1 0 237.303 0.803 10 0 BCAERO CC(C)c1cc(=O)[nH]c(N2CCC([NH3+])CC2)n1 ZINC000057329562 535340530 /nfs/dbraw/zinc/34/05/30/535340530.db2.gz OCKKKAAHFBLUQQ-UHFFFAOYSA-N 1 0 236.319 0.821 10 0 BCAERO CC1(C)CN(C(=O)c2cnsn2)CC[C@@H]1[NH3+] ZINC000261595476 535351260 /nfs/dbraw/zinc/35/12/60/535351260.db2.gz YEYDXWLYGOGBMX-QMMMGPOBSA-N 1 0 240.332 0.738 10 0 BCAERO CC(C)c1nc([C@@H]2C[NH2+]CCN2C)no1 ZINC000261548905 535380639 /nfs/dbraw/zinc/38/06/39/535380639.db2.gz OAXUHIZPTWGVOY-QMMMGPOBSA-N 1 0 210.281 0.769 10 0 BCAERO CCN(CC)S(=O)(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000085727528 535625142 /nfs/dbraw/zinc/62/51/42/535625142.db2.gz NFNBCYRUABMEER-VHSXEESVSA-N 1 0 249.380 0.303 10 0 BCAERO CCOC(=O)[C@H](C)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261578216 535627009 /nfs/dbraw/zinc/62/70/09/535627009.db2.gz LPAYVWKEQOCDQS-UWVGGRQHSA-N 1 0 228.336 0.997 10 0 BCAERO CCS(=O)(=O)CCN1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261588234 535629185 /nfs/dbraw/zinc/62/91/85/535629185.db2.gz SEVVUFCNTLAJFR-HBNTYKKESA-N 1 0 246.376 0.090 10 0 BCAERO CCOC[C@H](O)CN1C[C@H]([NH+](C)C)[C@@H](C)C1 ZINC000250520325 535697477 /nfs/dbraw/zinc/69/74/77/535697477.db2.gz PTNJZFGBTUDYBG-TUAOUCFPSA-N 1 0 230.352 0.266 10 0 BCAERO C[NH+](C)CCCN1c2cc(N)ccc2OCC1=O ZINC000011569009 535832775 /nfs/dbraw/zinc/83/27/75/535832775.db2.gz OHLUTHOUYOHRRW-UHFFFAOYSA-N 1 0 249.314 0.946 10 0 BCAERO CCn1nccc1CN1CC[C@@H]([NH3+])[C@H]1C ZINC000261537445 535870415 /nfs/dbraw/zinc/87/04/15/535870415.db2.gz VPENTMVJVVRPOH-MWLCHTKSSA-N 1 0 208.309 0.825 10 0 BCAERO CC[C@@](C)(NC(=O)[C@H](C)C1C[NH2+]C1)C(=O)OC ZINC000262349302 535995459 /nfs/dbraw/zinc/99/54/59/535995459.db2.gz GGPTZSURGGZWNC-PRHODGIISA-N 1 0 242.319 0.300 10 0 BCAERO CC[C@H](OC)C(=O)NC[C@@H]1CC[NH2+]C1 ZINC000261529011 536021568 /nfs/dbraw/zinc/02/15/68/536021568.db2.gz ZTTRLUOBGDOFFJ-BDAKNGLRSA-N 1 0 200.282 0.137 10 0 BCAERO CCc1c(C)nc(N2CCOCC2)[nH+]c1NN ZINC000051152555 536069543 /nfs/dbraw/zinc/06/95/43/536069543.db2.gz HVGMQOPOFNRVJR-UHFFFAOYSA-N 1 0 237.307 0.470 10 0 BCAERO CC[C@H](CCO)CNC(=O)[C@@H]1CC[C@@H](C[NH3+])O1 ZINC000227580608 536089008 /nfs/dbraw/zinc/08/90/08/536089008.db2.gz ZOPLWQBXOXDREH-VWYCJHECSA-N 1 0 244.335 0.018 10 0 BCAERO CCc1nc(CNC(=O)C2C[NH2+]C2)cs1 ZINC000261557866 536141792 /nfs/dbraw/zinc/14/17/92/536141792.db2.gz XTAUDLCXURYXLW-UHFFFAOYSA-N 1 0 225.317 0.541 10 0 BCAERO CC[C@H](C)NC(=O)[C@@H]([NH3+])C1CCOCC1 ZINC000261555463 536160226 /nfs/dbraw/zinc/16/02/26/536160226.db2.gz UZYAEJAGLCEAJN-WPRPVWTQSA-N 1 0 214.309 0.655 10 0 BCAERO CC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CC[C@H](CCO)C1 ZINC000252890875 536163328 /nfs/dbraw/zinc/16/33/28/536163328.db2.gz IRGBSMDKPOFLJH-SDDRHHMPSA-N 1 0 242.363 0.994 10 0 BCAERO CCc1ccc(C(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)cc1 ZINC000262264853 536165435 /nfs/dbraw/zinc/16/54/35/536165435.db2.gz MMJWEUQXAFLFJM-STQMWFEESA-N 1 0 248.326 0.559 10 0 BCAERO COC(=O)C[C@H](C)NC(=O)CC[C@H]1CCC[NH2+]1 ZINC000261556488 536337207 /nfs/dbraw/zinc/33/72/07/536337207.db2.gz QUOJHQXUAGWHMW-VHSXEESVSA-N 1 0 242.319 0.586 10 0 BCAERO COC(=O)C[C@H](C)NC(=O)[C@@H]1C[C@@H](C)CC[NH2+]1 ZINC000261553259 536338163 /nfs/dbraw/zinc/33/81/63/536338163.db2.gz NRINLZJYPJSUMT-GUBZILKMSA-N 1 0 242.319 0.442 10 0 BCAERO C[NH2+][C@@H]1CCCN([C@H]2CCN(C3CC3)C2=O)C1 ZINC000261760310 536365430 /nfs/dbraw/zinc/36/54/30/536365430.db2.gz MXDKVBJVUCKDRR-PWSUYJOCSA-N 1 0 237.347 0.434 10 0 BCAERO C[NH2+][C@@H]1CCCN(c2ccnc(C(N)=O)c2)C1 ZINC000053204696 536365799 /nfs/dbraw/zinc/36/57/99/536365799.db2.gz XQDXYZSRGPAZJD-SECBINFHSA-N 1 0 234.303 0.369 10 0 BCAERO C[NH2+][C@H](C)CNC(=O)CCc1cscn1 ZINC000261735330 536391487 /nfs/dbraw/zinc/39/14/87/536391487.db2.gz LYUCITDKYGABBX-MRVPVSSYSA-N 1 0 227.333 0.800 10 0 BCAERO C[NH2+][C@H](C)CNC(=O)[C@H]1CCc2c[nH]nc2C1 ZINC000261656357 536399804 /nfs/dbraw/zinc/39/98/04/536399804.db2.gz FMTNEJVJYXGTIT-BDAKNGLRSA-N 1 0 236.319 0.239 10 0 BCAERO C[NH2+][C@H](C)CNC(=O)c1cccc2c1OCO2 ZINC000261869810 536401157 /nfs/dbraw/zinc/40/11/57/536401157.db2.gz ZNCZIWSWXHOAKT-MRVPVSSYSA-N 1 0 236.271 0.753 10 0 BCAERO C[NH2+][C@H](C)CNS(=O)(=O)CCC1CC1 ZINC000261527923 536402941 /nfs/dbraw/zinc/40/29/41/536402941.db2.gz HYISPRRZFGQIIZ-MRVPVSSYSA-N 1 0 220.338 0.314 10 0 BCAERO C[NH2+][C@H](C)CNS(=O)(=O)c1cnc(C)s1 ZINC000261535637 536403925 /nfs/dbraw/zinc/40/39/25/536403925.db2.gz OWMNDKQNAOASRF-ZCFIWIBFSA-N 1 0 249.361 0.338 10 0 BCAERO C[N@H+](C[C@@H](O)C(F)(F)F)CC1CC(O)C1 ZINC000084452690 536416761 /nfs/dbraw/zinc/41/67/61/536416761.db2.gz CEVINFYRVPCTDV-KAVNDROISA-N 1 0 227.226 0.612 10 0 BCAERO COC(=O)CN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000086657844 536471703 /nfs/dbraw/zinc/47/17/03/536471703.db2.gz HMRKQVOBJFHNSS-SNVBAGLBSA-N 1 0 212.293 0.330 10 0 BCAERO COC(=O)[C@H](C)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261536764 536631339 /nfs/dbraw/zinc/63/13/39/536631339.db2.gz SVBMWEGJIGFTAR-XKNYDFJKSA-N 1 0 212.293 0.217 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N(CCC(C)C)C1CC1 ZINC000088003215 536653341 /nfs/dbraw/zinc/65/33/41/536653341.db2.gz JFLUIOFTNGFJGN-LLVKDONJSA-N 1 0 228.336 0.997 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N1CCC[C@@H](C)CC1 ZINC000088004345 536655099 /nfs/dbraw/zinc/65/50/99/536655099.db2.gz SKNNAIJZCZVXRB-NXEZZACHSA-N 1 0 214.309 0.609 10 0 BCAERO COC[C@]1(C(=O)N[C@H](C)C2CC2)CC[NH2+]C1 ZINC000261595261 536656519 /nfs/dbraw/zinc/65/65/19/536656519.db2.gz YABXQVIXLFZWMI-SKDRFNHKSA-N 1 0 226.320 0.527 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N1CC[C@@H](C(C)C)C1 ZINC000166146191 536659818 /nfs/dbraw/zinc/65/98/18/536659818.db2.gz GKRVYZWBDAHDOR-NXEZZACHSA-N 1 0 214.309 0.465 10 0 BCAERO COC[C@@H]([NH3+])C(=O)NC[C@H]1CC1(C)C ZINC000261529301 536661082 /nfs/dbraw/zinc/66/10/82/536661082.db2.gz RACNIWZGEWDCDC-HTQZYQBOSA-N 1 0 200.282 0.122 10 0 BCAERO COC[C@@H]([NH3+])C(=O)NCc1sc(C)nc1C ZINC000261560621 536665424 /nfs/dbraw/zinc/66/54/24/536665424.db2.gz ADQNDMHXPCSEST-MRVPVSSYSA-N 1 0 243.332 0.350 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N[C@@H]1CC12CCCCC2 ZINC000262220274 536666933 /nfs/dbraw/zinc/66/69/33/536666933.db2.gz FQEVPVQJVNRAKZ-NXEZZACHSA-N 1 0 226.320 0.799 10 0 BCAERO COC(=O)c1ccc(CN2C[C@H](C)[C@H]([NH3+])C2)nc1 ZINC000261549737 536680109 /nfs/dbraw/zinc/68/01/09/536680109.db2.gz JJUAEHROFTYDJQ-JOYOIKCWSA-N 1 0 249.314 0.647 10 0 BCAERO COC[C@]1(CNc2cc(C)ncn2)CCC[NH2+]1 ZINC000261553880 536687742 /nfs/dbraw/zinc/68/77/42/536687742.db2.gz OJPUTANHYCCVGT-GFCCVEGCSA-N 1 0 236.319 0.966 10 0 BCAERO COc1cc(C)nc(N2CC[C@H]3C[NH2+]C[C@@H]3C2)n1 ZINC000261554101 536700136 /nfs/dbraw/zinc/70/01/36/536700136.db2.gz ARRXNBUOBAYTOI-WDEREUQCSA-N 1 0 248.330 0.839 10 0 BCAERO COc1cc(C)nc(N2CCC[C@H]2C[NH3+])n1 ZINC000166466981 536700917 /nfs/dbraw/zinc/70/09/17/536700917.db2.gz ZBPJTBJHNIFLBN-VIFPVBQESA-N 1 0 222.292 0.721 10 0 BCAERO COc1cc(C)nc(N2C[C@H](C)[NH2+]C[C@@H]2C)n1 ZINC000129390289 536701798 /nfs/dbraw/zinc/70/17/98/536701798.db2.gz FIXRNQKVXAFEJU-UWVGGRQHSA-N 1 0 236.319 0.980 10 0 BCAERO COCCn1cc(CN2C[C@@H](C)[C@@H]([NH3+])C2)cn1 ZINC000262020615 536844761 /nfs/dbraw/zinc/84/47/61/536844761.db2.gz NCGJIXNXRMRHIY-PWSUYJOCSA-N 1 0 238.335 0.309 10 0 BCAERO COC(=O)c1nc(N2CC[NH2+]CC2)sc1C ZINC000167629211 536863096 /nfs/dbraw/zinc/86/30/96/536863096.db2.gz MTSBJPHMBXUUSC-UHFFFAOYSA-N 1 0 241.316 0.648 10 0 BCAERO COC(C)(C)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000171604141 536880528 /nfs/dbraw/zinc/88/05/28/536880528.db2.gz XOHAWQIDOLWQEN-SECBINFHSA-N 1 0 214.309 0.574 10 0 BCAERO COc1ccccc1CNC[C@@H]1C[NH2+]C[C@H]1O ZINC000263296017 537047624 /nfs/dbraw/zinc/04/76/24/537047624.db2.gz WHNVUMCTRCBAKV-VXGBXAGGSA-N 1 0 236.315 0.365 10 0 BCAERO CCCS(=O)(=O)N1CCC2(C[NH2+]C2)C1 ZINC000675052995 537861554 /nfs/dbraw/zinc/86/15/54/537861554.db2.gz DEPAGATXXZRMHV-UHFFFAOYSA-N 1 0 218.322 0.022 10 0 BCAERO CS(=O)(=O)c1cnn(CC[NH2+]C2CC2)c1 ZINC000725252939 538035381 /nfs/dbraw/zinc/03/53/81/538035381.db2.gz PTNOUJCKZRDOMD-UHFFFAOYSA-N 1 0 229.305 0.039 10 0 BCAERO Cn1nccc1-c1cc(=O)[nH]c([C@H]2CC[NH2+]C2)n1 ZINC000725257112 538061105 /nfs/dbraw/zinc/06/11/05/538061105.db2.gz GXTWBUSGBJBRJK-QMMMGPOBSA-N 1 0 245.286 0.660 10 0 BCAERO Cn1nccc1-c1c(C[NH3+])nnn1CC(F)F ZINC000725257409 538063942 /nfs/dbraw/zinc/06/39/42/538063942.db2.gz OFGISTUADUJMKX-UHFFFAOYSA-N 1 0 242.233 0.402 10 0 BCAERO COCCOC[C@H]1[NH2+]CCc2nc[nH]c21 ZINC000400510803 566270210 /nfs/dbraw/zinc/27/02/10/566270210.db2.gz KWMJHNWXJGTGJP-SECBINFHSA-N 1 0 211.265 0.260 10 0 BCAERO CNS(=O)(=O)[C@@H]1C2CC[NH+](CC2)C12CC2 ZINC000669376120 566422785 /nfs/dbraw/zinc/42/27/85/566422785.db2.gz GERPSDKVTMMMRH-SECBINFHSA-N 1 0 230.333 0.162 10 0 BCAERO CC(C)(C)[NH2+]C[C@H](O)C[C@@]1(O)CCOC1 ZINC000669381223 566424753 /nfs/dbraw/zinc/42/47/53/566424753.db2.gz CBBRCRMLWSYHHB-KOLCDFICSA-N 1 0 217.309 0.277 10 0 BCAERO CC[C@H](C)[NH2+]C[C@H](O)C[C@@]1(O)CCOC1 ZINC000669381291 566425634 /nfs/dbraw/zinc/42/56/34/566425634.db2.gz FFVBKSQWCJGHNH-AXFHLTTASA-N 1 0 217.309 0.277 10 0 BCAERO CCO[C@@H]1CC[C@@H]2[NH2+]CCN(CC)[C@H]2N1 ZINC000669380719 566425702 /nfs/dbraw/zinc/42/57/02/566425702.db2.gz ULULYHPEMBICTH-HBNTYKKESA-N 1 0 213.325 0.352 10 0 BCAERO C[N@@H+]1CCCC[C@@H]1CCn1cnc(N)n1 ZINC000234322240 566493780 /nfs/dbraw/zinc/49/37/80/566493780.db2.gz FTRHZAWLBBKOFO-SECBINFHSA-N 1 0 209.297 0.735 10 0 BCAERO NC(=[NH2+])NCCCCNC(=O)c1ccccc1 ZINC000001529394 560180965 /nfs/dbraw/zinc/18/09/65/560180965.db2.gz ZRBMNUPECIGKKJ-UHFFFAOYSA-N 1 0 234.303 0.680 10 0 in-vitro BCAERO CC(C)CC(=O)NC[C@H]1OC(=O)CC12C[NH2+]C2 ZINC000725263378 566308613 /nfs/dbraw/zinc/30/86/13/566308613.db2.gz USCOIRRJFYOZGC-SECBINFHSA-N 1 0 240.303 0.054 10 0 BCAERO C[NH+](C)[C@H]1CCN(C(=O)n2ccnc2)C1 ZINC000112642691 588811333 /nfs/dbraw/zinc/81/13/33/588811333.db2.gz VNEOBJNCEOKTSY-VIFPVBQESA-N 1 0 208.265 0.487 10 0 BCAERO CC(C)[C@@H]([NH2+]Cc1ccccn1)C(N)=O ZINC000107322938 582459723 /nfs/dbraw/zinc/45/97/23/582459723.db2.gz XBCAAJSEUWCMHA-SNVBAGLBSA-N 1 0 207.277 0.681 10 0 BCAERO C[C@H]1CN(Cc2ncc(Cl)n2C)C[C@H]1[NH3+] ZINC000300049738 582483782 /nfs/dbraw/zinc/48/37/82/582483782.db2.gz UQGQWIYSLOTDRG-JGVFFNPUSA-N 1 0 228.727 0.853 10 0 BCAERO CO[C@H](C)[C@H](O)c1nc(C)c(C[NH3+])s1 ZINC000757123932 582498991 /nfs/dbraw/zinc/49/89/91/582498991.db2.gz BIVJRBWCPTVWJS-SVRRBLITSA-N 1 0 216.306 0.979 10 0 BCAERO [NH3+]C[C@H](O)c1nc(N2C[C@@H]3CCC[C@@H]3C2)no1 ZINC000757126312 582501520 /nfs/dbraw/zinc/50/15/20/582501520.db2.gz VWABCYIJGBONNV-YIZRAAEISA-N 1 0 238.291 0.298 10 0 BCAERO CCN(c1ccc(C[NH3+])cc1)S(C)(=O)=O ZINC000034654273 582503352 /nfs/dbraw/zinc/50/33/52/582503352.db2.gz JADAWXHZMPGRIX-UHFFFAOYSA-N 1 0 228.317 0.931 10 0 BCAERO CC1(C)CC[C@@]2(C1)[NH2+]C[C@]1(COCCN1)CO2 ZINC000757139365 582519523 /nfs/dbraw/zinc/51/95/23/582519523.db2.gz HAQCPMZQCODWQA-QWHCGFSZSA-N 1 0 240.347 0.871 10 0 BCAERO O=S1(=O)CC[C@@]2(C1)[NH2+]C[C@@H](C1CC1)CO2 ZINC000757142218 582522619 /nfs/dbraw/zinc/52/26/19/582522619.db2.gz BJAFIZXBQMDEPC-NXEZZACHSA-N 1 0 231.317 0.147 10 0 BCAERO COC(=O)[C@@H]1C[N@H+](CC(OC)OC)C[C@@H]1C ZINC000220230875 582523480 /nfs/dbraw/zinc/52/34/80/582523480.db2.gz PQBAIOXXEDNDGZ-DTWKUNHWSA-N 1 0 231.292 0.346 10 0 BCAERO [NH3+]C[C@@H]1CCN1CCOC1CCSCC1 ZINC000757146561 582530529 /nfs/dbraw/zinc/53/05/29/582530529.db2.gz ORURHLVUSDTFFD-JTQLQIEISA-N 1 0 230.377 0.932 10 0 BCAERO COC[C@H]1CCO[C@@]2(COC(C)(C)C2)[NH2+]1 ZINC000757146456 582530617 /nfs/dbraw/zinc/53/06/17/582530617.db2.gz KMOJWSAFCSJBCK-KOLCDFICSA-N 1 0 215.293 0.907 10 0 BCAERO CC1(C)COC[C@@H](CN2CC[C@H]2C[NH3+])O1 ZINC000757148227 582532371 /nfs/dbraw/zinc/53/23/71/582532371.db2.gz TWDMOFWTTZWRKB-VHSXEESVSA-N 1 0 214.309 0.213 10 0 BCAERO CC1(C)C[NH2+][C@@]2(CCOC2)O[C@@]12CCOC2 ZINC000757151316 582535423 /nfs/dbraw/zinc/53/54/23/582535423.db2.gz ZJRVBQUFWFVQPI-NEPJUHHUSA-N 1 0 227.304 0.908 10 0 BCAERO CCN(CC)S(=O)(=O)C[C@H]([NH3+])C(C)C ZINC000757152409 582536515 /nfs/dbraw/zinc/53/65/15/582536515.db2.gz LRUITWKGNLVYEF-VIFPVBQESA-N 1 0 222.354 0.641 10 0 BCAERO CC[C@]1(C)CCO[C@]2(CCS(=O)(=O)C2)[NH2+]1 ZINC000757152447 582536502 /nfs/dbraw/zinc/53/65/02/582536502.db2.gz SJEQRYVUZJMDOK-ZJUUUORDSA-N 1 0 233.333 0.680 10 0 BCAERO C[C@H](C1CCOCC1)n1ncnc1C[NH3+] ZINC000757165841 582548206 /nfs/dbraw/zinc/54/82/06/582548206.db2.gz ODMFCLDTCNHGGI-MRVPVSSYSA-N 1 0 210.281 0.724 10 0 BCAERO COC(=O)[C@H]1C[NH2+]C[C@H]1c1csc(C)n1 ZINC000757191230 582556298 /nfs/dbraw/zinc/55/62/98/582556298.db2.gz SFLUFHZUZUYIPA-SFYZADRCSA-N 1 0 226.301 0.928 10 0 BCAERO COC(=O)[C@@H]1CC[NH2+][C@@H](c2cnnn2C)C1 ZINC000757216139 582560922 /nfs/dbraw/zinc/56/09/22/582560922.db2.gz XYDCWSHJRLPDRE-HTQZYQBOSA-N 1 0 224.264 0.029 10 0 BCAERO O=C([O-])[C@@H]1CCC[NH2+][C@H]1C1CC[NH2+]CC1 ZINC000757218616 582561746 /nfs/dbraw/zinc/56/17/46/582561746.db2.gz VHJUSKMWADMQRW-ZJUUUORDSA-N 1 0 212.293 0.439 10 0 BCAERO N[C@@H]1C[NH2+]C[C@@H](c2cccc(C=O)c2)C1 ZINC000757217860 582562662 /nfs/dbraw/zinc/56/26/62/582562662.db2.gz SXRGNYSMKJACMN-RYUDHWBXSA-N 1 0 204.273 0.903 10 0 BCAERO C[C@@H]1CN2C(=[NH+]CC[C@H]2[C@@H]2CCOC2)N1 ZINC000235434867 582580117 /nfs/dbraw/zinc/58/01/17/582580117.db2.gz OFKXMJFBNSMUAL-BBBLOLIVSA-N 1 0 209.293 0.445 10 0 BCAERO C[C@H]1CCNc2nc(N3CC[NH2+]CC3)nn21 ZINC000235617656 582596066 /nfs/dbraw/zinc/59/60/66/582596066.db2.gz SILCKEVVCBZGCR-QMMMGPOBSA-N 1 0 222.296 0.064 10 0 BCAERO C[C@H]1CN2C[C@H](c3ccncc3)CNC2=[NH+]1 ZINC000235693902 582603709 /nfs/dbraw/zinc/60/37/09/582603709.db2.gz BRXMPCJRFONKOG-GXSJLCMTSA-N 1 0 216.288 0.829 10 0 BCAERO [NH3+]Cc1ccnc2nc(C(F)(F)F)nn21 ZINC000236170593 582640448 /nfs/dbraw/zinc/64/04/48/582640448.db2.gz ADBJNZRSLPMOSA-UHFFFAOYSA-N 1 0 217.154 0.602 10 0 BCAERO Fc1ccc([C@H]2CCNC3=[NH+]CCN32)nc1 ZINC000236234082 582642300 /nfs/dbraw/zinc/64/23/00/582642300.db2.gz WQDPCLSBHQHSGF-SNVBAGLBSA-N 1 0 220.251 0.927 10 0 BCAERO [NH3+]C[C@@H]1CCNc2nc(C3CCC3)nn21 ZINC000236226646 582642632 /nfs/dbraw/zinc/64/26/32/582642632.db2.gz WZIFTCWETAAMOQ-QMMMGPOBSA-N 1 0 207.281 0.861 10 0 BCAERO Nc1[nH+]ccn1CCCN1CCOCC1 ZINC000236347101 582653054 /nfs/dbraw/zinc/65/30/54/582653054.db2.gz IWYAQUOSRWOKRN-UHFFFAOYSA-N 1 0 210.281 0.188 10 0 BCAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=S)NC ZINC000128940691 582714066 /nfs/dbraw/zinc/71/40/66/582714066.db2.gz XEAQSLGXBRVDQP-SECBINFHSA-N 1 0 215.366 0.907 10 0 BCAERO C[C@H]1C[NH+](CC2(CO)COC2)C[C@H](C)O1 ZINC000304851689 582798036 /nfs/dbraw/zinc/79/80/36/582798036.db2.gz XVMVTUHVKJTFJD-UWVGGRQHSA-N 1 0 215.293 0.105 10 0 BCAERO Cc1cc(=O)[nH]c(Cn2cc[nH+]c2N)n1 ZINC000700481810 582807951 /nfs/dbraw/zinc/80/79/51/582807951.db2.gz DJFDKGMRQPUVOT-UHFFFAOYSA-N 1 0 205.221 0.318 10 0 BCAERO Cn1ccc(C[NH2+][C@H]2C[C@@H](O)[C@@H]2n2cccn2)c1 ZINC000888076174 582835366 /nfs/dbraw/zinc/83/53/66/582835366.db2.gz DIPVKUUESMMBCI-YNEHKIRRSA-N 1 0 246.314 0.686 10 0 BCAERO C[NH2+][C@H](C)C(=O)N1CCO[C@H](C)[C@@H]1C ZINC000307101471 582840981 /nfs/dbraw/zinc/84/09/81/582840981.db2.gz HVCJWYPQNXFNQK-HRDYMLBCSA-N 1 0 200.282 0.230 10 0 BCAERO CC(C)c1nccn1C[C@](C)([NH3+])C(N)=O ZINC000045430522 582878326 /nfs/dbraw/zinc/87/83/26/582878326.db2.gz OVGMAAJHLYSFSV-JTQLQIEISA-N 1 0 210.281 0.209 10 0 BCAERO C[C@H]1NC(=O)CC[C@H]1[NH2+]CCn1ccccc1=O ZINC000392957481 582909495 /nfs/dbraw/zinc/90/94/95/582909495.db2.gz HLWGJJNGKBLKIC-GHMZBOCLSA-N 1 0 249.314 0.105 10 0 BCAERO CCCS(=O)(=O)CCn1cc[nH+]c1N ZINC000702460680 582926257 /nfs/dbraw/zinc/92/62/57/582926257.db2.gz VIBFZRSXOVGZIQ-UHFFFAOYSA-N 1 0 217.294 0.290 10 0 BCAERO CC[C@@H]1CN(C(C)=O)CC[C@H]1[NH2+]CCOC ZINC000393814365 582926675 /nfs/dbraw/zinc/92/66/75/582926675.db2.gz UUULJTBDSOATBH-VXGBXAGGSA-N 1 0 228.336 0.869 10 0 BCAERO C[C@@H]1OCC[C@H]1[NH2+]C1CCN(CCO)CC1 ZINC000393813071 583113342 /nfs/dbraw/zinc/11/33/42/583113342.db2.gz ZEBVEZDANGOFDA-CMPLNLGQSA-N 1 0 228.336 0.210 10 0 BCAERO CCOC(=O)C[C@H]([NH3+])[C@H]1CCC[NH2+]C1 ZINC000260562215 583370477 /nfs/dbraw/zinc/37/04/77/583370477.db2.gz UFSKLLHMGJVCQF-IUCAKERBSA-N 1 0 200.282 0.267 10 0 BCAERO C1C[NH2+]C[C@@H]([C@H]2CCNc3nnnn32)C1 ZINC000232456006 585031070 /nfs/dbraw/zinc/03/10/70/585031070.db2.gz WBNHTOTZKVDLSR-JGVFFNPUSA-N 1 0 208.269 0.029 10 0 BCAERO CC1([C@@H]2CCNc3nc(CC[NH3+])nn32)CC1 ZINC000232910766 585032994 /nfs/dbraw/zinc/03/29/94/585032994.db2.gz YXPBQKIFIFWLDB-QMMMGPOBSA-N 1 0 221.308 0.936 10 0 BCAERO O=C1NCC[C@H]1[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000769850347 585564958 /nfs/dbraw/zinc/56/49/58/585564958.db2.gz HNQQHEKGWCWVCT-GHMZBOCLSA-N 1 0 238.331 0.956 10 0 BCAERO O[C@]1(c2cn[nH]n2)CC[N@@H+](C2CCCC2)C1 ZINC000794092171 586031864 /nfs/dbraw/zinc/03/18/64/586031864.db2.gz PZRFHYSBPVUXHX-LLVKDONJSA-N 1 0 222.292 0.641 10 0 BCAERO O=C1NCC[C@H]1[NH2+]Cc1cnn2ccccc12 ZINC000795329865 586074932 /nfs/dbraw/zinc/07/49/32/586074932.db2.gz TWNAQCWZDYRGGQ-SNVBAGLBSA-N 1 0 230.271 0.312 10 0 BCAERO COC[C@@H](O)c1nc(C)c(C[NH3+])s1 ZINC000757134950 586427091 /nfs/dbraw/zinc/42/70/91/586427091.db2.gz ZNFPWTCFTLYCJC-ZCFIWIBFSA-N 1 0 202.279 0.590 10 0 BCAERO CC(C)C[NH2+]Cc1ccnc(S(N)(=O)=O)c1 ZINC000757135133 586427189 /nfs/dbraw/zinc/42/71/89/586427189.db2.gz DLHPYRGMMARMOA-UHFFFAOYSA-N 1 0 243.332 0.475 10 0 BCAERO [NH3+]C[C@@H]1CCN1c1nncc2ncsc21 ZINC000757142577 586428082 /nfs/dbraw/zinc/42/80/82/586428082.db2.gz FACTZLSLEAEPIF-LURJTMIESA-N 1 0 221.289 0.624 10 0 BCAERO COC[C@@H]1CCO[C@@]2(CCCOC2)[NH2+]1 ZINC000757143408 586428122 /nfs/dbraw/zinc/42/81/22/586428122.db2.gz CRBNHAAQFSNZRY-VHSXEESVSA-N 1 0 201.266 0.518 10 0 BCAERO CCn1nc(C)cc1CN1CC[C@@H]1C[NH3+] ZINC000757147446 586429100 /nfs/dbraw/zinc/42/91/00/586429100.db2.gz URFUWHXAJRAGHV-SNVBAGLBSA-N 1 0 208.309 0.744 10 0 BCAERO NC(=O)[C@H]1CCN1c1cccc(C[NH3+])c1 ZINC000757152489 586429693 /nfs/dbraw/zinc/42/96/93/586429693.db2.gz RGBRKXCARHOULI-SNVBAGLBSA-N 1 0 205.261 0.209 10 0 BCAERO CCC(CC)[C@@H]([NH3+])CS(=O)(=O)N1CCC1 ZINC000757154452 586429884 /nfs/dbraw/zinc/42/98/84/586429884.db2.gz ZLSZWOHTZLWDSS-JTQLQIEISA-N 1 0 234.365 0.785 10 0 BCAERO [NH3+]C[C@@H]1CCN1c1nccnc1C(F)F ZINC000757154241 586430133 /nfs/dbraw/zinc/43/01/33/586430133.db2.gz XPGICOSXQGWHME-LURJTMIESA-N 1 0 214.219 0.952 10 0 BCAERO C[C@H]([C@@H]1CCCC[NH2+]1)N1CC[C@H]1C(N)=O ZINC000757162185 586431462 /nfs/dbraw/zinc/43/14/62/586431462.db2.gz WYZRFFQAWIAFKE-UTLUCORTSA-N 1 0 211.309 0.077 10 0 BCAERO COC(=O)c1c[nH]nc1[C@H]1C[NH2+]C[C@@H]1C ZINC000757170938 586432932 /nfs/dbraw/zinc/43/29/32/586432932.db2.gz MBBKGZIEBZPAAL-BQBZGAKWSA-N 1 0 209.249 0.519 10 0 BCAERO NC(=O)[C@@H]([NH3+])CC(F)(F)C(F)(F)F ZINC000757175931 586433064 /nfs/dbraw/zinc/43/30/64/586433064.db2.gz YHZKHJKLFCMEKP-REOHCLBHSA-N 1 0 206.114 0.387 10 0 BCAERO CCOC(=O)[C@@H]1C[NH2+]C[C@@]12CN1CCC2CC1 ZINC000757185191 586434206 /nfs/dbraw/zinc/43/42/06/586434206.db2.gz PTYBXFZADXKXOF-AAEUAGOBSA-N 1 0 238.331 0.481 10 0 BCAERO CCOC(=O)[C@@H]1C[NH2+]C[C@]12CN1CCC2CC1 ZINC000757185194 586434249 /nfs/dbraw/zinc/43/42/49/586434249.db2.gz PTYBXFZADXKXOF-WCQYABFASA-N 1 0 238.331 0.481 10 0 BCAERO COC(=O)[C@@H]1C[NH2+]C[C@@]12CN1CCC2CC1 ZINC000757185268 586434260 /nfs/dbraw/zinc/43/42/60/586434260.db2.gz QRWABILUNKEDML-JQWIXIFHSA-N 1 0 224.304 0.091 10 0 BCAERO COC(=O)[C@@H]1C[NH2+]C[C@]12CCCSC2 ZINC000757186262 586434564 /nfs/dbraw/zinc/43/45/64/586434564.db2.gz WRWVCODYJVKMMV-WPRPVWTQSA-N 1 0 215.318 0.892 10 0 BCAERO CCOC(=O)[C@H]1C[NH2+]C[C@@]12CCN(C)C2 ZINC000757186062 586434683 /nfs/dbraw/zinc/43/46/83/586434683.db2.gz VMXWYPMGLCLVLY-MWLCHTKSSA-N 1 0 212.293 0.091 10 0 BCAERO COC(=O)[C@H](CO)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000757192786 586436122 /nfs/dbraw/zinc/43/61/22/586436122.db2.gz UVALQEFYWATGIG-HUAZRZQGSA-N 1 0 227.304 0.641 10 0 BCAERO CC[C@H](C)Cn1cnc(C[C@@H]([NH3+])CO)c1 ZINC000757193257 586436436 /nfs/dbraw/zinc/43/64/36/586436436.db2.gz ZSDFTVCIYICNOQ-VHSXEESVSA-N 1 0 211.309 0.791 10 0 BCAERO CNS(=O)(=O)C[C@@]12CC[C@@H](C[C@@H]1[NH3+])C2 ZINC000757209025 586437945 /nfs/dbraw/zinc/43/79/45/586437945.db2.gz FIQCGXBVLJBQSJ-CIUDSAMLSA-N 1 0 218.322 0.053 10 0 BCAERO Cc1cncc(S(=O)(=O)CC[C@H](C)[NH3+])c1 ZINC000757209943 586438471 /nfs/dbraw/zinc/43/84/71/586438471.db2.gz JWJQVYLHTLXZOF-VIFPVBQESA-N 1 0 228.317 0.901 10 0 BCAERO O=C([O-])[C@@H]1C[NH2+]C[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000757209402 586438565 /nfs/dbraw/zinc/43/85/65/586438565.db2.gz DWIQUGHLXWOURB-UTLUCORTSA-N 1 0 212.293 0.296 10 0 BCAERO C[C@@H]1C[C@H](C(=O)[O-])C[C@@H]([C@H]2CCC[NH2+]C2)[NH2+]1 ZINC000757210609 586438578 /nfs/dbraw/zinc/43/85/78/586438578.db2.gz GJLDPNJVRVVDFZ-RCWTZXSCSA-N 1 0 226.320 0.827 10 0 BCAERO [NH3+][C@@H]1CC[NH2+]C[C@@H]1c1cccc(C(=O)[O-])c1 ZINC000757213355 586439696 /nfs/dbraw/zinc/43/96/96/586439696.db2.gz JRGBCUTXRUBAIQ-GHMZBOCLSA-N 1 0 220.272 0.789 10 0 BCAERO [NH3+]Cc1ccc([C@H]2CC[NH2+]C[C@H]2C(=O)[O-])cc1 ZINC000757215831 586440606 /nfs/dbraw/zinc/44/06/06/586440606.db2.gz ODMZNYUGENHTNZ-VXGBXAGGSA-N 1 0 234.299 0.923 10 0 BCAERO CCOC(=O)[C@H]1CC[C@H](c2cnnn2C)[NH2+]C1 ZINC000757215627 586440610 /nfs/dbraw/zinc/44/06/10/586440610.db2.gz WILXANSOSZRKNA-DTWKUNHWSA-N 1 0 238.291 0.419 10 0 BCAERO O=C([O-])[C@@H]1CC[NH2+]C[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000757215751 586440716 /nfs/dbraw/zinc/44/07/16/586440716.db2.gz NXQJTEDIGIHVFY-OPRDCNLKSA-N 1 0 212.293 0.296 10 0 BCAERO O=C([O-])[C@@H]1CCC[NH2+][C@H]1[C@H]1CCC[NH2+]C1 ZINC000757216007 586440737 /nfs/dbraw/zinc/44/07/37/586440737.db2.gz OXUSAXXPCOMMQQ-AEJSXWLSSA-N 1 0 212.293 0.439 10 0 BCAERO O=C([O-])[C@@H]1CC[C@@H]([C@@H]2CCC[NH2+]C2)[NH2+]C1 ZINC000757216765 586441074 /nfs/dbraw/zinc/44/10/74/586441074.db2.gz QOWYPLXLZTXDAK-BBBLOLIVSA-N 1 0 212.293 0.439 10 0 BCAERO O=C([O-])[C@@H]1CC[C@H]([C@@H]2CCC[NH2+]C2)[NH2+]C1 ZINC000757216778 586441354 /nfs/dbraw/zinc/44/13/54/586441354.db2.gz QOWYPLXLZTXDAK-OPRDCNLKSA-N 1 0 212.293 0.439 10 0 BCAERO [NH3+]Cc1cccc([C@H]2C[NH2+]CC[C@@H]2C(=O)[O-])c1 ZINC000757218235 586441560 /nfs/dbraw/zinc/44/15/60/586441560.db2.gz UQGLCAJVYWLDTK-NWDGAFQWSA-N 1 0 234.299 0.923 10 0 BCAERO Cc1ccc(N)cc1[C@H]1C[NH2+]C[C@@H](N)C1 ZINC000757237572 586443765 /nfs/dbraw/zinc/44/37/65/586443765.db2.gz QGEZXEFANQUHAQ-KOLCDFICSA-N 1 0 205.305 0.981 10 0 BCAERO Cc1ccc(N)cc1[C@@H]1C[NH2+]C[C@H](N)C1 ZINC000757237570 586443901 /nfs/dbraw/zinc/44/39/01/586443901.db2.gz QGEZXEFANQUHAQ-GXSJLCMTSA-N 1 0 205.305 0.981 10 0 BCAERO CC(=O)CCN1CC[N@@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000106101187 588252105 /nfs/dbraw/zinc/25/21/05/588252105.db2.gz HOUDPRREZFARDT-ZYHUDNBSSA-N 1 0 228.336 0.352 10 0 BCAERO COC(=O)[C@@H](C[NH3+])C1CCSCC1 ZINC000107145363 588331474 /nfs/dbraw/zinc/33/14/74/588331474.db2.gz QKHDHDRTEIZRNB-QMMMGPOBSA-N 1 0 203.307 0.878 10 0 BCAERO COC(=O)N[C@@H](C(=O)NCC[NH+](C)C)C(C)C ZINC000108462693 588471507 /nfs/dbraw/zinc/47/15/07/588471507.db2.gz LIYWYAGJIYFUAO-SECBINFHSA-N 1 0 245.323 0.045 10 0 BCAERO C[C@]1(NC(=O)[C@@H]2CC[C@H]([NH3+])C2)CCOC1 ZINC000119136553 589245356 /nfs/dbraw/zinc/24/53/56/589245356.db2.gz KLCWIZQHFYQIPG-YWVKMMECSA-N 1 0 212.293 0.409 10 0 BCAERO Cc1ccnn1[C@H](C)C[C@@](C)([NH3+])C(N)=O ZINC000203548572 589245815 /nfs/dbraw/zinc/24/58/15/589245815.db2.gz JWEQNKWABUQGTH-PSASIEDQSA-N 1 0 210.281 0.345 10 0 BCAERO Cc1c(Cl)cnn1[C@@H](C)C[C@@](C)([NH3+])C(N)=O ZINC000203548608 589246046 /nfs/dbraw/zinc/24/60/46/589246046.db2.gz OWERSQVUIRHLOS-QUBYGPBYSA-N 1 0 244.726 0.999 10 0 BCAERO CC[C@@](C)(O)C[NH+]1CCC2(CC1)OCCO2 ZINC000119386768 589276028 /nfs/dbraw/zinc/27/60/28/589276028.db2.gz GQMDNLBZUBSKOJ-LLVKDONJSA-N 1 0 229.320 0.986 10 0 BCAERO C[NH2+]CCCNC(=O)[C@H](NC(=O)OC)C(C)C ZINC000120993131 589483642 /nfs/dbraw/zinc/48/36/42/589483642.db2.gz VHPJVLZFICUHJX-SECBINFHSA-N 1 0 245.323 0.093 10 0 BCAERO C[NH+](C)[C@@H]1CCN(C(=S)NC2CC2)C1 ZINC000122385143 589584860 /nfs/dbraw/zinc/58/48/60/589584860.db2.gz SRHHFJQEHWYTMR-SECBINFHSA-N 1 0 213.350 0.659 10 0 BCAERO CC[C@H]1CN(c2ccnc(C(N)=O)c2)CC[C@@H]1[NH3+] ZINC000122943953 589644936 /nfs/dbraw/zinc/64/49/36/589644936.db2.gz ATRUQSGXTHXFIE-ONGXEEELSA-N 1 0 248.330 0.744 10 0 BCAERO C[C@H](NC(=O)C[C@H]([NH3+])C1CC1)[C@H]1CCCO1 ZINC000123602588 589758054 /nfs/dbraw/zinc/75/80/54/589758054.db2.gz GUXVBKBNDIZJJR-INTQDDNPSA-N 1 0 226.320 0.798 10 0 BCAERO COC(C[N@@H+]1CC[C@@H](CCO)C1)OC ZINC000123685557 589770749 /nfs/dbraw/zinc/77/07/49/589770749.db2.gz WSFPFTRJFQGTEN-VIFPVBQESA-N 1 0 203.282 0.310 10 0 BCAERO CC(=O)N[C@H]1CCC[N@H+](CCC2OCCO2)C1 ZINC000123832788 589825364 /nfs/dbraw/zinc/82/53/64/589825364.db2.gz AWBHXNXGXSTKMU-NSHDSACASA-N 1 0 242.319 0.350 10 0 BCAERO COC(=O)/C(C)=C/CN1C[C@H]([NH+](C)C)[C@@H](C)C1 ZINC000124407876 589988499 /nfs/dbraw/zinc/98/84/99/589988499.db2.gz NJJQLHLXBALJBR-RZZPXTMHSA-N 1 0 240.347 0.988 10 0 BCAERO [NH3+]C[C@H](O)c1cnn(-c2ccccc2)c1 ZINC000020216692 590089220 /nfs/dbraw/zinc/08/92/20/590089220.db2.gz YBRNQYYEOFHGRQ-NSHDSACASA-N 1 0 203.245 0.864 10 0 BCAERO C[C@@H]1C[N@H+](CCC2OCCO2)C[C@@H]1N(C)C ZINC000125257086 590159550 /nfs/dbraw/zinc/15/95/50/590159550.db2.gz FRNLDGLJJARMSM-MNOVXSKESA-N 1 0 228.336 0.631 10 0 BCAERO [NH3+]C[C@H]1CCC[C@H]1NC(=O)NC1CCC1 ZINC000127882941 590839471 /nfs/dbraw/zinc/83/94/71/590839471.db2.gz SHJRINGNGXTJJE-PSASIEDQSA-N 1 0 211.309 0.966 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)NC1CCC1 ZINC000127883460 590840155 /nfs/dbraw/zinc/84/01/55/590840155.db2.gz SHJRINGNGXTJJE-WCBMZHEXSA-N 1 0 211.309 0.966 10 0 BCAERO C[NH2+]CCNS(=O)(=O)/C=C\c1ccccc1 ZINC000211571044 591202710 /nfs/dbraw/zinc/20/27/10/591202710.db2.gz VLRDWZHZXCOCDW-YFHOEESVSA-N 1 0 240.328 0.796 10 0 BCAERO CCOC(=O)[C@@H](C)NC(=O)C[C@H]([NH3+])C(C)C ZINC000129007561 591206984 /nfs/dbraw/zinc/20/69/84/591206984.db2.gz DNWWNKKWAOYURI-BDAKNGLRSA-N 1 0 230.308 0.428 10 0 BCAERO Cc1nc(C(=O)N[C@@H]2CCC[NH2+][C@H]2C)no1 ZINC000129466165 591303548 /nfs/dbraw/zinc/30/35/48/591303548.db2.gz LBKKSKZNSWOORT-POYBYMJQSA-N 1 0 224.264 0.248 10 0 BCAERO COC(=O)[C@@H]([NH3+])CCn1cc(C(C)C)cn1 ZINC000212149917 591316881 /nfs/dbraw/zinc/31/68/81/591316881.db2.gz QXVLESPIBXEXNF-JTQLQIEISA-N 1 0 225.292 0.897 10 0 BCAERO CN(C[C@H]1CCC[N@@H+]1C)C(=O)n1ccnc1 ZINC000130048590 591432818 /nfs/dbraw/zinc/43/28/18/591432818.db2.gz AZOVDOCUHUNVGX-SNVBAGLBSA-N 1 0 222.292 0.877 10 0 BCAERO [NH3+]Cc1cc(C(=O)NC[C@H]2CCC[C@@H]2O)ccn1 ZINC000130367018 591462413 /nfs/dbraw/zinc/46/24/13/591462413.db2.gz VUZIBCXPIXSLDV-PWSUYJOCSA-N 1 0 249.314 0.431 10 0 BCAERO O=C(NC[C@H]1CC[NH2+]C1)[C@H](O)c1ccccc1 ZINC000133660530 591845820 /nfs/dbraw/zinc/84/58/20/591845820.db2.gz ALXQFVQEMVRRKM-CMPLNLGQSA-N 1 0 234.299 0.446 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)NOCC(F)(F)F ZINC000133909973 591868881 /nfs/dbraw/zinc/86/88/81/591868881.db2.gz XMNDROBGCADEQO-NKWVEPMBSA-N 1 0 240.225 0.972 10 0 BCAERO C[C@H]1OCC[C@@H]1NC(=O)C1(C[NH3+])CCCC1 ZINC000134249116 591907084 /nfs/dbraw/zinc/90/70/84/591907084.db2.gz WGQBYTGGXWNJCG-ZJUUUORDSA-N 1 0 226.320 0.799 10 0 BCAERO CCc1cc(NC[C@@H]2C[NH2+]CCO2)nc(C)n1 ZINC000134275135 591908690 /nfs/dbraw/zinc/90/86/90/591908690.db2.gz JSGSJQMOTZRKMP-NSHDSACASA-N 1 0 236.319 0.748 10 0 BCAERO C[C@@H]1OCC[C@H]1NC(=O)CC[C@@H]1CC[NH2+]C1 ZINC000134557280 591935657 /nfs/dbraw/zinc/93/56/57/591935657.db2.gz BWHXJGHIMOAABD-HBNTYKKESA-N 1 0 226.320 0.670 10 0 BCAERO C[C@@H]([NH3+])CNS(=O)(=O)/C=C\c1ccccc1 ZINC000215557681 591951452 /nfs/dbraw/zinc/95/14/52/591951452.db2.gz RHZRSPJAZNQSSS-GQYWMQPJSA-N 1 0 240.328 0.924 10 0 BCAERO C[C@H]1C[NH2+]CCN1c1cncc(Cl)n1 ZINC000138260980 592256198 /nfs/dbraw/zinc/25/61/98/592256198.db2.gz LMVCGOMXWHZJLN-ZETCQYMHSA-N 1 0 212.684 0.928 10 0 BCAERO CNS(=O)(=O)CC[NH2+]CCc1ccccc1 ZINC000221741946 592444903 /nfs/dbraw/zinc/44/49/03/592444903.db2.gz KSNZBAAGFRSLRM-UHFFFAOYSA-N 1 0 242.344 0.368 10 0 BCAERO CC(C)C[C@H](O)CNC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000300240187 592505986 /nfs/dbraw/zinc/50/59/86/592505986.db2.gz VOKOAUYULGEIDJ-SRVKXCTJSA-N 1 0 242.363 0.885 10 0 BCAERO Cc1cnn(CCNC(=O)[C@@H]([NH3+])CC2CC2)c1 ZINC000302706911 592551844 /nfs/dbraw/zinc/55/18/44/592551844.db2.gz XFGWUQMUVPHYJV-NSHDSACASA-N 1 0 236.319 0.435 10 0 BCAERO C[C@@H]1C[N@@H+](C[C@H]2CNC(=O)O2)C[C@H](C)[C@H]1O ZINC000829281851 592707820 /nfs/dbraw/zinc/70/78/20/592707820.db2.gz OYOHPTLEEUVLAM-RGOKHQFPSA-N 1 0 228.292 0.044 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)N[C@@H]2C[C@H]([NH3+])C2(C)C)O1 ZINC000122163561 592711188 /nfs/dbraw/zinc/71/11/88/592711188.db2.gz FDBLWEREZRFQJE-DOLQZWNJSA-N 1 0 226.320 0.796 10 0 BCAERO C[C@@H]1OCC[C@H]1NC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000333506857 634432300 /nfs/dbraw/zinc/43/23/00/634432300.db2.gz DXZDRPIAPOXBGQ-ZDCRXTMVSA-N 1 0 239.319 0.167 10 0 BCAERO [NH3+]CCOCC(=O)N[C@@H]1COc2ccccc21 ZINC000093232278 634475542 /nfs/dbraw/zinc/47/55/42/634475542.db2.gz ZRFVQESHJAVQOC-SNVBAGLBSA-N 1 0 236.271 0.212 10 0 BCAERO OCC[C@@H]1CC[N@H+](CCN2CCCC2)C1 ZINC000162894786 635164781 /nfs/dbraw/zinc/16/47/81/635164781.db2.gz KUQREDHQCSJRID-LBPRGKRZSA-N 1 0 212.337 0.787 10 0 BCAERO CCC[C@](C)([NH3+])C(=O)N[C@@H](C(N)=O)C(C)C ZINC000231046396 635495335 /nfs/dbraw/zinc/49/53/35/635495335.db2.gz YVXLDNAVFVRUDA-KCJUWKMLSA-N 1 0 229.324 0.130 10 0 BCAERO C[NH2+][C@H](C)CNC(=O)c1ccc2c(c1)CCO2 ZINC000234437057 635554314 /nfs/dbraw/zinc/55/43/14/635554314.db2.gz NQQSKFFXKOYSIV-SECBINFHSA-N 1 0 234.299 0.959 10 0 BCAERO [NH3+]C[C@H]1CCO[C@@H]1c1nc(C2CC2)no1 ZINC000399832024 635604989 /nfs/dbraw/zinc/60/49/89/635604989.db2.gz YXNKQHHXNUAHKC-SFYZADRCSA-N 1 0 209.249 0.983 10 0 BCAERO C[C@@H]([NH3+])Cc1nc(CC2CCOCC2)no1 ZINC000258034086 631340911 /nfs/dbraw/zinc/34/09/11/631340911.db2.gz OASYNZZPRIFBGU-MRVPVSSYSA-N 1 0 225.292 0.928 10 0 BCAERO CS/C=C\C(=O)N1CCC[C@H]([NH3+])C1 ZINC000308561395 631432193 /nfs/dbraw/zinc/43/21/93/631432193.db2.gz FNCLKWOKPZBROE-HORMHSFOSA-N 1 0 200.307 0.813 10 0 BCAERO CC(C)C[C@@H]([NH3+])C(=O)NC[C@H]1CCC[C@@H]1O ZINC000084239005 631437458 /nfs/dbraw/zinc/43/74/58/631437458.db2.gz GGWCSRVZTAMMKT-MXWKQRLJSA-N 1 0 228.336 0.637 10 0 BCAERO CN(C)c1nccc(NCC2CC([NH3+])C2)n1 ZINC000084448037 631440040 /nfs/dbraw/zinc/44/00/40/631440040.db2.gz SRLITYJFAVWUML-UHFFFAOYSA-N 1 0 221.308 0.692 10 0 BCAERO CCC(CC)C[NH2+][C@@H]1CS(=O)(=O)C[C@H]1O ZINC000130335938 631472287 /nfs/dbraw/zinc/47/22/87/631472287.db2.gz YFOWAMPQYLOHQF-NXEZZACHSA-N 1 0 235.349 0.170 10 0 BCAERO C[NH2+][C@H](C)CNS(=O)(=O)c1cccc(C)c1 ZINC000234440513 631527077 /nfs/dbraw/zinc/52/70/77/631527077.db2.gz ZLERXMAFOFPAIV-SNVBAGLBSA-N 1 0 242.344 0.881 10 0 BCAERO C[NH2+][C@H](C)CNS(=O)(=O)c1ccc(C)cc1 ZINC000234440184 631527937 /nfs/dbraw/zinc/52/79/37/631527937.db2.gz QJYKQJQYVHRAOV-SNVBAGLBSA-N 1 0 242.344 0.881 10 0 BCAERO C[NH2+][C@H](C)CNC(=O)c1cn(C)nc1C ZINC000234436495 631528596 /nfs/dbraw/zinc/52/85/96/631528596.db2.gz VSSDFSIQDXAYKG-SSDOTTSWSA-N 1 0 210.281 0.066 10 0 BCAERO COC(=O)[C@H](NC(=O)[C@@H]1C[NH2+]C[C@H]1C)C(C)C ZINC000234543658 631571936 /nfs/dbraw/zinc/57/19/36/631571936.db2.gz WBBKSBMZIOAHJA-OPRDCNLKSA-N 1 0 242.319 0.156 10 0 BCAERO [NH3+][C@@H](CO)C(=O)NCc1ccc(Cl)cc1 ZINC000258802460 631640271 /nfs/dbraw/zinc/64/02/71/631640271.db2.gz ACBRUGPKZXNCCJ-VIFPVBQESA-N 1 0 228.679 0.276 10 0 BCAERO C[C@H]1C(=O)NCCC[N@H+]1C[C@H]1CCC=CO1 ZINC000248883564 635682226 /nfs/dbraw/zinc/68/22/26/635682226.db2.gz LKBJRDALEMUDKN-WDEREUQCSA-N 1 0 224.304 0.890 10 0 BCAERO [NH3+][C@@H](CO)C(=O)Nc1ccc2c(c1)CCC2 ZINC000259030922 631733086 /nfs/dbraw/zinc/73/30/86/631733086.db2.gz UIRWRCYPYCLELX-NSHDSACASA-N 1 0 220.272 0.433 10 0 BCAERO CC[C@H](CO)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000259147777 631761178 /nfs/dbraw/zinc/76/11/78/631761178.db2.gz JCONOUVBKDXZGO-GHMZBOCLSA-N 1 0 226.320 0.312 10 0 BCAERO C[C@@H]([NH3+])CC(=O)N1CCS[C@@H](C)C1 ZINC000158096405 631817552 /nfs/dbraw/zinc/81/75/52/631817552.db2.gz TWFSPWXCKPIEDN-SFYZADRCSA-N 1 0 202.323 0.688 10 0 BCAERO CCOC(=O)[C@H](C[NH3+])C[C@@H]1CCOC1 ZINC000051691087 631865900 /nfs/dbraw/zinc/86/59/00/631865900.db2.gz FWFJRSKBVYGJHW-IUCAKERBSA-N 1 0 201.266 0.551 10 0 BCAERO CO[C@H](C)CC(=O)N1CCC[C@H]([NH3+])C1 ZINC000158581348 631912238 /nfs/dbraw/zinc/91/22/38/631912238.db2.gz NTZWTWVUHATLRX-BDAKNGLRSA-N 1 0 200.282 0.361 10 0 BCAERO C[NH2+][C@H](Cn1ncc2ccccc21)C(N)=O ZINC000050528125 631998497 /nfs/dbraw/zinc/99/84/97/631998497.db2.gz OUODYDYDSWPREH-SECBINFHSA-N 1 0 218.260 0.110 10 0 BCAERO COCC(=O)N1C[C@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000308881943 632076612 /nfs/dbraw/zinc/07/66/12/632076612.db2.gz DICUBFROACOXRL-NXEZZACHSA-N 1 0 212.293 0.043 10 0 BCAERO COCC(=O)N1C[C@@H]2C[N@@H+](C)CC[C@@H]2C1 ZINC000308881949 632076633 /nfs/dbraw/zinc/07/66/33/632076633.db2.gz DICUBFROACOXRL-ZJUUUORDSA-N 1 0 212.293 0.043 10 0 BCAERO CC(C)(CO)[NH2+]CC(=O)Nc1nccs1 ZINC000308890407 632093882 /nfs/dbraw/zinc/09/38/82/632093882.db2.gz XKUTVMVAHRLRQR-UHFFFAOYSA-N 1 0 229.305 0.442 10 0 BCAERO C[C@@H]1CN2CCCC[C@H]2C[N@@H+]1CC[S@@](C)=O ZINC000252961120 635716273 /nfs/dbraw/zinc/71/62/73/635716273.db2.gz VBTVBDDXNRFTEI-BFQNTYOBSA-N 1 0 244.404 0.924 10 0 BCAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1CC[S@@](C)=O ZINC000252933032 635716445 /nfs/dbraw/zinc/71/64/45/635716445.db2.gz CNUDXOHUCAOYQI-BFQNTYOBSA-N 1 0 244.404 0.924 10 0 BCAERO C[NH2+][C@H](C)CNC(=O)c1ccc(N)cc1 ZINC000309505630 632433529 /nfs/dbraw/zinc/43/35/29/632433529.db2.gz VVCKTXHXIHKMGP-MRVPVSSYSA-N 1 0 207.277 0.607 10 0 BCAERO CO[C@H](c1noc(COCC[NH3+])n1)C1CC1 ZINC000131257794 632454458 /nfs/dbraw/zinc/45/44/58/632454458.db2.gz QTMUNLNUWIFGON-VIFPVBQESA-N 1 0 227.264 0.642 10 0 BCAERO Cn1ncc(C[NH2+][C@H]2CCC[C@@H](O)C2)n1 ZINC000308928137 632472228 /nfs/dbraw/zinc/47/22/28/632472228.db2.gz LEJWMDPUXBBIJU-WCBMZHEXSA-N 1 0 210.281 0.208 10 0 BCAERO CCOC(=O)[C@H]1C[NH2+]C[C@@H]1c1cccnc1 ZINC000229217122 632528670 /nfs/dbraw/zinc/52/86/70/632528670.db2.gz KZOXUQMZCHHBDM-MNOVXSKESA-N 1 0 220.272 0.948 10 0 BCAERO CCOC(=O)[C@H]1C[NH2+]C[C@]12CCCOC2 ZINC000229214938 632529104 /nfs/dbraw/zinc/52/91/04/632529104.db2.gz BLQCAFFKJVRZGR-KOLCDFICSA-N 1 0 213.277 0.566 10 0 BCAERO C[C@]1(C(=O)NC[C@H]2CCC[C@H]2O)CC[NH2+]C1 ZINC000250807466 632543636 /nfs/dbraw/zinc/54/36/36/632543636.db2.gz SAEXHHYUQHZFTG-FOGDFJRCSA-N 1 0 226.320 0.263 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)[C@H]1CCOC1 ZINC000250684184 632545437 /nfs/dbraw/zinc/54/54/37/632545437.db2.gz ZUHXPOLQFMUNPX-GUBZILKMSA-N 1 0 212.293 0.267 10 0 BCAERO C[C@H]1[NH2+]CCC[C@@H]1C(=O)Nc1cnn(C)c1 ZINC000087123066 632650430 /nfs/dbraw/zinc/65/04/30/632650430.db2.gz RCMATSKWNWMGHE-SCZZXKLOSA-N 1 0 222.292 0.747 10 0 BCAERO C[NH2+][C@](C)(CCn1cnc(C)c1C)C(N)=O ZINC000051928288 632764931 /nfs/dbraw/zinc/76/49/31/632764931.db2.gz GBSBIEYTUOGYLP-LLVKDONJSA-N 1 0 224.308 0.353 10 0 BCAERO C[C@H]1CN(C(=O)C(F)F)C[C@H]1[NH+](C)C ZINC000235608212 632800260 /nfs/dbraw/zinc/80/02/60/632800260.db2.gz ZXIJOBRWJRUTTB-NKWVEPMBSA-N 1 0 206.236 0.660 10 0 BCAERO CCOC(=O)C[C@H]([NH3+])C1CCOCC1 ZINC000052175685 632810516 /nfs/dbraw/zinc/81/05/16/632810516.db2.gz PTZXLMBRCWSZHK-VIFPVBQESA-N 1 0 201.266 0.694 10 0 BCAERO CC[C@H](C[NH3+])c1nc(N2CCOCC2)no1 ZINC000162217537 633023946 /nfs/dbraw/zinc/02/39/46/633023946.db2.gz CZIXVGRLWIXTKF-MRVPVSSYSA-N 1 0 226.280 0.359 10 0 BCAERO Cc1n[nH]cc1C(=O)N1C[C@@H]2CC[N@@H+](C)C[C@H]2C1 ZINC000311053631 633060191 /nfs/dbraw/zinc/06/01/91/633060191.db2.gz HDZFXFJKITZJMU-QWRGUYRKSA-N 1 0 248.330 0.742 10 0 BCAERO C[C@@H]([NH3+])CN(C)c1ncncc1Cl ZINC000163762836 633063685 /nfs/dbraw/zinc/06/36/85/633063685.db2.gz CDSQEQWXMDNYJJ-ZCFIWIBFSA-N 1 0 200.673 0.913 10 0 BCAERO COC(=O)c1coc(C[NH2+][C@@H](C)[C@@H](C)O)c1 ZINC000309458610 633090360 /nfs/dbraw/zinc/09/03/60/633090360.db2.gz NFPMZPYVRARHNG-JGVFFNPUSA-N 1 0 227.260 0.925 10 0 BCAERO CC(C)NC(=S)N1CC[C@H]([NH+](C)C)C1 ZINC000122382655 635926576 /nfs/dbraw/zinc/92/65/76/635926576.db2.gz FEXBQTVGIYFUEH-VIFPVBQESA-N 1 0 215.366 0.905 10 0 BCAERO CC[N@@H+]1CC[C@@H](NC(=O)n2ccnc2)C1 ZINC000307383262 635987757 /nfs/dbraw/zinc/98/77/57/635987757.db2.gz IKGPVLCXXFANDL-SECBINFHSA-N 1 0 208.265 0.535 10 0 BCAERO C[C@@H]1CN(CC(=O)N2CCC(C)CC2)C[C@@H]1[NH3+] ZINC000232805633 636048668 /nfs/dbraw/zinc/04/86/68/636048668.db2.gz JEAYRGPJXQYCEO-NEPJUHHUSA-N 1 0 239.363 0.524 10 0 BCAERO CCCc1noc([C@]2(COC)CC[NH2+]C2)n1 ZINC000309247134 633874659 /nfs/dbraw/zinc/87/46/59/633874659.db2.gz NTISORMQHVZAKW-LLVKDONJSA-N 1 0 225.292 0.900 10 0 BCAERO C[NH2+]C1(C(=O)N[C@@H]2CCC[C@@H](O)C2)CCC1 ZINC000309282661 633882343 /nfs/dbraw/zinc/88/23/43/633882343.db2.gz UDSFNDMVUACLMJ-NXEZZACHSA-N 1 0 226.320 0.548 10 0 BCAERO O=C1NCCC[C@@H]1[NH2+]Cc1ccc(F)nc1 ZINC000309550806 633952156 /nfs/dbraw/zinc/95/21/56/633952156.db2.gz FWJMTZJMEJNOTI-VIFPVBQESA-N 1 0 223.251 0.589 10 0 BCAERO CCN(CC)C(=O)C[C@H](C)[NH2+][C@@H](C)[C@H](C)O ZINC000309958281 633982015 /nfs/dbraw/zinc/98/20/15/633982015.db2.gz JRVJREYEPDGNAU-DCAQKATOSA-N 1 0 230.352 0.992 10 0 BCAERO C[C@H]1NC(=O)CC[C@@H]1[NH2+]CCC1OCCO1 ZINC000309829969 634019173 /nfs/dbraw/zinc/01/91/73/634019173.db2.gz YIFSZKWBEXIXDF-BDAKNGLRSA-N 1 0 228.292 0.006 10 0 BCAERO C[C@@H](NC(=O)[C@@H]1CCCC[NH2+]1)[C@H]1CCCO1 ZINC000035734995 634077981 /nfs/dbraw/zinc/07/79/81/634077981.db2.gz YMRLWWAYHHKLHN-OUAUKWLOSA-N 1 0 226.320 0.812 10 0 BCAERO C[C@@H](NC(=O)[C@@H]1CCCC[NH2+]1)[C@@H]1CCCO1 ZINC000035734993 634078917 /nfs/dbraw/zinc/07/89/17/634078917.db2.gz YMRLWWAYHHKLHN-VWYCJHECSA-N 1 0 226.320 0.812 10 0 BCAERO CC[C@H]1CN(C(C)=O)CC[C@@H]1[NH2+]CCOC ZINC000393814364 634231437 /nfs/dbraw/zinc/23/14/37/634231437.db2.gz UUULJTBDSOATBH-RYUDHWBXSA-N 1 0 228.336 0.869 10 0 BCAERO C[NH+](C)[C@H]1CCN(C(=O)C[C@H]2CCCOC2)C1 ZINC000193137814 634268323 /nfs/dbraw/zinc/26/83/23/634268323.db2.gz XIYVCYFVZCUKHJ-NEPJUHHUSA-N 1 0 240.347 0.966 10 0 BCAERO C[C@@H]([NH3+])CN(C)c1cc(NC2CC2)ncn1 ZINC000258766598 635197426 /nfs/dbraw/zinc/19/74/26/635197426.db2.gz QEIVMSQRGBHRNU-MRVPVSSYSA-N 1 0 221.308 0.834 10 0 BCAERO C[C@@H](C[NH3+])N(C)c1cc(N(C)C)ncn1 ZINC000258858741 635214692 /nfs/dbraw/zinc/21/46/92/635214692.db2.gz ZRQWFDIIBMDPAX-QMMMGPOBSA-N 1 0 209.297 0.326 10 0 BCAERO CN(C)c1cc(N2CC[C@@H]([NH3+])C2)ncn1 ZINC000258880205 635216657 /nfs/dbraw/zinc/21/66/57/635216657.db2.gz DTCFHCCFPGOSRZ-MRVPVSSYSA-N 1 0 207.281 0.080 10 0 BCAERO CN(Cc1ccc(Cl)s1)C(=O)[C@@H]([NH3+])CO ZINC000258869624 635216897 /nfs/dbraw/zinc/21/68/97/635216897.db2.gz FWMJVEQSBOWTQG-ZETCQYMHSA-N 1 0 248.735 0.680 10 0 BCAERO COC[C@@H]1C[NH2+]CCN1C[C@@H]1CCCO1 ZINC000259254787 635258179 /nfs/dbraw/zinc/25/81/79/635258179.db2.gz QWOUZMNJXKTTAS-QWRGUYRKSA-N 1 0 214.309 0.086 10 0 BCAERO CNC(=O)c1ccccc1NC(=O)[C@@H](C)[NH2+]C ZINC000054071758 635346038 /nfs/dbraw/zinc/34/60/38/635346038.db2.gz DHUHEFKAGFWTRA-MRVPVSSYSA-N 1 0 235.287 0.593 10 0 BCAERO NC(=O)C[C@@]1([NH3+])CCCN(Cc2ccccc2)C1 ZINC000211634137 636711261 /nfs/dbraw/zinc/71/12/61/636711261.db2.gz YXYDFGLNJOLNMY-AWEZNQCLSA-N 1 0 247.342 0.855 10 0 BCAERO c1cncc(NCCN[C@H]2CCC[NH2+]C2)c1 ZINC000067603525 636716110 /nfs/dbraw/zinc/71/61/10/636716110.db2.gz IMUCBEYDUHZOKU-LBPRGKRZSA-N 1 0 220.320 0.835 10 0 BCAERO c1cncc(NCCN[C@@H]2CCC[NH2+]C2)c1 ZINC000067603524 636716473 /nfs/dbraw/zinc/71/64/73/636716473.db2.gz IMUCBEYDUHZOKU-GFCCVEGCSA-N 1 0 220.320 0.835 10 0 BCAERO OC[C@H]1C[C@@H](O)C[N@@H+]1CCc1cccs1 ZINC000179180530 636753423 /nfs/dbraw/zinc/75/34/23/636753423.db2.gz NERQDQPZXWEBAG-NXEZZACHSA-N 1 0 227.329 0.718 10 0 BCAERO c1[nH]nnc1SCCN[C@H]1CCC[NH2+]C1 ZINC000067739487 636780628 /nfs/dbraw/zinc/78/06/28/636780628.db2.gz BUSCSMDABMSWOJ-QMMMGPOBSA-N 1 0 227.337 0.238 10 0 BCAERO C[C@@H]([NH3+])C(=O)NC[C@H]1CCCC[C@@H]1O ZINC000082994996 636870109 /nfs/dbraw/zinc/87/01/09/636870109.db2.gz HLHKAFOGVGNKDS-HLTSFMKQSA-N 1 0 200.282 0.001 10 0 BCAERO C[C@]1(C(=O)NC[C@@H]2CCCC[C@@H]2O)CC[NH2+]C1 ZINC000085986841 636883319 /nfs/dbraw/zinc/88/33/19/636883319.db2.gz YUEDYPTVESIHOY-GVXVVHGQSA-N 1 0 240.347 0.653 10 0 BCAERO CON1CCC([NH2+][C@@H]2CCC[C@H](O)C2)CC1 ZINC000323383747 636926261 /nfs/dbraw/zinc/92/62/61/636926261.db2.gz PYPRIPAXNVKGHV-NEPJUHHUSA-N 1 0 228.336 0.905 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)COCC1CC1 ZINC000237992151 636928852 /nfs/dbraw/zinc/92/88/52/636928852.db2.gz MJMZBWAJJOATRI-QWRGUYRKSA-N 1 0 226.320 0.657 10 0 BCAERO [NH3+][C@H]1CCCN(c2nnnn2-c2ccccc2)C1 ZINC000041030231 636953439 /nfs/dbraw/zinc/95/34/39/636953439.db2.gz GHUBERSACLPZNK-JTQLQIEISA-N 1 0 244.302 0.590 10 0 BCAERO CC(C)C[C@@H]([NH3+])C(=O)NC[C@H]1CCC[C@H]1O ZINC000163553856 637030636 /nfs/dbraw/zinc/03/06/36/637030636.db2.gz GGWCSRVZTAMMKT-GMTAPVOTSA-N 1 0 228.336 0.637 10 0 BCAERO C[C@@H](NC(=O)C1CC[NH+](C)CC1)[C@H](C)O ZINC000346375469 637094997 /nfs/dbraw/zinc/09/49/97/637094997.db2.gz KMRUOTGVTMYRKN-BDAKNGLRSA-N 1 0 214.309 0.214 10 0 BCAERO CCc1nc([C@H]2C[C@H](OC)C[NH2+]2)n(C)n1 ZINC000054697107 640306931 /nfs/dbraw/zinc/30/69/31/640306931.db2.gz LCMVKKGEBAQORG-JGVFFNPUSA-N 1 0 210.281 0.427 10 0 BCAERO Cn1nc(C(C)(C)C)nc1[C@@H]1C[NH2+]CCO1 ZINC000054698828 640318837 /nfs/dbraw/zinc/31/88/37/640318837.db2.gz QUZXTASCEDCXDF-QMMMGPOBSA-N 1 0 224.308 0.774 10 0 BCAERO CC(C)Cc1nc([C@@H]2C[NH2+]CCO2)n(C)n1 ZINC000054699062 640320811 /nfs/dbraw/zinc/32/08/11/640320811.db2.gz SQHGZBFUSNEWHU-VIFPVBQESA-N 1 0 224.308 0.675 10 0 BCAERO Cn1nc(-c2cccs2)nc1[C@H]([NH3+])CCO ZINC000054699778 640322014 /nfs/dbraw/zinc/32/20/14/640322014.db2.gz OHEYJEYGVADDKQ-SSDOTTSWSA-N 1 0 238.316 0.926 10 0 BCAERO C[C@H]1C[C@H]1c1noc([C@H]2C[C@@H](O)C[NH2+]2)n1 ZINC000163754014 640416973 /nfs/dbraw/zinc/41/69/73/640416973.db2.gz YBWCCKXBWWXLQN-LXGUWJNJSA-N 1 0 209.249 0.588 10 0 BCAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)N1CCOC(C)(C)C1 ZINC000036232567 640422392 /nfs/dbraw/zinc/42/23/92/640422392.db2.gz LWIYOVVVRWFRNC-NXEZZACHSA-N 1 0 228.336 0.997 10 0 BCAERO CC[NH2+]CC(=O)N[C@@H]1CCC[C@@H](O)C1 ZINC000044647614 640445733 /nfs/dbraw/zinc/44/57/33/640445733.db2.gz MNUDUUQRFIKRJG-RKDXNWHRSA-N 1 0 200.282 0.016 10 0 BCAERO Cc1nn(C)cc1C(=O)N[C@@H]1C[NH+]2CCC1CC2 ZINC000222537254 640491273 /nfs/dbraw/zinc/49/12/73/640491273.db2.gz BUBHMFONTPJVOZ-GFCCVEGCSA-N 1 0 248.330 0.553 10 0 BCAERO C[NH+](C)C1(CNC(=O)n2ccnc2)CCC1 ZINC000165259802 640550606 /nfs/dbraw/zinc/55/06/06/640550606.db2.gz MBBAQJOIRFPWJM-UHFFFAOYSA-N 1 0 222.292 0.925 10 0 BCAERO C[NH2+][C@](C)(CCn1nc(C)cc1C)C(N)=O ZINC000045433851 640557200 /nfs/dbraw/zinc/55/72/00/640557200.db2.gz VXFNNTSSIMBRDY-LLVKDONJSA-N 1 0 224.308 0.353 10 0 BCAERO C[NH2+][C@@](C)(CCCn1cc(C)cn1)C(N)=O ZINC000045436108 640557315 /nfs/dbraw/zinc/55/73/15/640557315.db2.gz BOHJIYLRYVDVCK-NSHDSACASA-N 1 0 224.308 0.435 10 0 BCAERO CC(C)[NH2+][C@@](C)(CCn1ccnc1)C(N)=O ZINC000045432378 640557520 /nfs/dbraw/zinc/55/75/20/640557520.db2.gz PZSLEJLCPICHAG-NSHDSACASA-N 1 0 224.308 0.515 10 0 BCAERO C[NH2+][C@H](Cn1cnc2ccccc21)C(N)=O ZINC000045434176 640558114 /nfs/dbraw/zinc/55/81/14/640558114.db2.gz OMFJZKNSLGISSF-SECBINFHSA-N 1 0 218.260 0.110 10 0 BCAERO C[C@]([NH3+])(Cn1ccc(C(F)(F)F)n1)C(N)=O ZINC000045460036 640566872 /nfs/dbraw/zinc/56/68/72/640566872.db2.gz PPQKTRNWVJLXGW-ZETCQYMHSA-N 1 0 236.197 0.105 10 0 BCAERO CCC[NH2+][C@@H](Cn1ccnc1CC)C(N)=O ZINC000045460500 640567683 /nfs/dbraw/zinc/56/76/83/640567683.db2.gz DCPPRYPBJJICQX-VIFPVBQESA-N 1 0 224.308 0.299 10 0 BCAERO CC[C@H](C(N)=O)[N@@H+]1CCC[C@@H](C(C)=O)C1 ZINC000224870543 640645088 /nfs/dbraw/zinc/64/50/88/640645088.db2.gz NEOBCIVKXZSWGX-NXEZZACHSA-N 1 0 212.293 0.551 10 0 BCAERO CO[C@H](C)CCC(=O)NCC1CC([NH3+])C1 ZINC000166825368 640683162 /nfs/dbraw/zinc/68/31/62/640683162.db2.gz JOBBOSGWLAFPLO-XNWIYYODSA-N 1 0 214.309 0.655 10 0 BCAERO C[C@H](O)[C@H]([NH3+])c1nc(C(C)(C)C)nn1C ZINC000054698669 640711358 /nfs/dbraw/zinc/71/13/58/640711358.db2.gz IMIKHZNBQZYDBE-BQBZGAKWSA-N 1 0 212.297 0.493 10 0 BCAERO C[S@@](=O)CC[NH2+][C@@H]1CCCC[C@H]1O ZINC000226237257 640740358 /nfs/dbraw/zinc/74/03/58/640740358.db2.gz ZFGYMFZPVUNIIW-JRKPZEMJSA-N 1 0 205.323 0.258 10 0 BCAERO C[C@@H]1OCC[C@@H]1NC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000226449888 640763963 /nfs/dbraw/zinc/76/39/63/640763963.db2.gz HLUDHTQXYLKRKF-ZDCRXTMVSA-N 1 0 226.320 0.798 10 0 BCAERO C[C@H]1CN(C(=O)[C@@]2(C)CCC[NH2+]2)C[C@H](C)O1 ZINC000227077244 640813922 /nfs/dbraw/zinc/81/39/22/640813922.db2.gz OXPWRGCCLAFYTN-JBLDHEPKSA-N 1 0 226.320 0.764 10 0 BCAERO CC(=O)[C@H]1CCC[N@@H+]([C@H]2CCN(C)C2=O)C1 ZINC000227069472 640813956 /nfs/dbraw/zinc/81/39/56/640813956.db2.gz KBSKCRNYXHKUGH-QWRGUYRKSA-N 1 0 224.304 0.518 10 0 BCAERO C[C@@]1(C(=O)NC[C@@H](O)C(F)(F)F)CCC[NH2+]1 ZINC000227424255 640833309 /nfs/dbraw/zinc/83/33/09/640833309.db2.gz AYDOBGODQVCERG-SVRRBLITSA-N 1 0 240.225 0.168 10 0 BCAERO Cc1cc(NC[C@@H]2CC[C@H]([NH3+])C2)n2ncnc2n1 ZINC000227646386 640842704 /nfs/dbraw/zinc/84/27/04/640842704.db2.gz MRSDPICNZTWSQW-ZJUUUORDSA-N 1 0 246.318 0.972 10 0 BCAERO C[NH2+]C[C@H]1CCCN1C[C@H](O)COC(C)C ZINC000169275396 640847214 /nfs/dbraw/zinc/84/72/14/640847214.db2.gz ARWUDXXHZAFQNH-NEPJUHHUSA-N 1 0 230.352 0.456 10 0 BCAERO COC(=O)[C@@H]1CN(CC[NH+]2CCCC2)C[C@@H]1C ZINC000227825896 640850375 /nfs/dbraw/zinc/85/03/75/640850375.db2.gz UBKNVXDEESSEMX-NWDGAFQWSA-N 1 0 240.347 0.823 10 0 BCAERO CCCCOC[C@H](O)CN1CC[NH2+][C@@H](C)C1 ZINC000227910766 640853978 /nfs/dbraw/zinc/85/39/78/640853978.db2.gz SSVZBARFSIPJJF-NWDGAFQWSA-N 1 0 230.352 0.458 10 0 BCAERO CCCCOC[C@@H](O)CN(C)C1C[NH2+]C1 ZINC000227911074 640853988 /nfs/dbraw/zinc/85/39/88/640853988.db2.gz NTVGXNXJUUSUSL-NSHDSACASA-N 1 0 216.325 0.068 10 0 BCAERO CCCCOC[C@H](O)C[N@H+](C)C1CC[NH2+]CC1 ZINC000227910021 640854241 /nfs/dbraw/zinc/85/42/41/640854241.db2.gz VOPWZHVPPVPOSG-CYBMUJFWSA-N 1 0 244.379 0.848 10 0 BCAERO COC(=O)[C@@H]1CCCCN1C(=O)[C@H](C)[C@@H](C)[NH3+] ZINC000228606261 640885497 /nfs/dbraw/zinc/88/54/97/640885497.db2.gz RWQFVDBDQOOWBP-BBBLOLIVSA-N 1 0 242.319 0.524 10 0 BCAERO CCNC(=O)CC[N@@H+]1C[C@H](C)[C@@H](C(=O)OC)C1 ZINC000228697362 640890100 /nfs/dbraw/zinc/89/01/00/640890100.db2.gz IZEJCPLSGQHSLV-UWVGGRQHSA-N 1 0 242.319 0.254 10 0 BCAERO CCOCC[N@H+]1C[C@H](C(=O)OC)[C@H](C)C1 ZINC000228697697 640890156 /nfs/dbraw/zinc/89/01/56/640890156.db2.gz PQKVTVSSZXBPNW-ZJUUUORDSA-N 1 0 215.293 0.764 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N[C@@H](C)CCSC ZINC000228945947 640906996 /nfs/dbraw/zinc/90/69/96/640906996.db2.gz IIIMCXFEZNBUKI-JGVFFNPUSA-N 1 0 220.338 0.218 10 0 BCAERO COC[C@H]([NH3+])C(=O)NCCC1CCC1 ZINC000229107968 640923252 /nfs/dbraw/zinc/92/32/52/640923252.db2.gz ULLJWEOQKUAQFI-VIFPVBQESA-N 1 0 200.282 0.267 10 0 BCAERO CCOC(=O)[C@@H]1C[NH2+]C[C@@H]1C1CCOCC1 ZINC000229222740 640933811 /nfs/dbraw/zinc/93/38/11/640933811.db2.gz OBRBLOHTGVNYMY-GHMZBOCLSA-N 1 0 227.304 0.812 10 0 BCAERO CCOC(=O)[C@@H]1C[NH2+]C[C@@H]1c1ccncc1 ZINC000229218235 640933847 /nfs/dbraw/zinc/93/38/47/640933847.db2.gz QDQIULLTYKXGKG-GHMZBOCLSA-N 1 0 220.272 0.948 10 0 BCAERO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1[C@@H]1CCCOC1 ZINC000229219971 640934374 /nfs/dbraw/zinc/93/43/74/640934374.db2.gz NICQZQRQTJFHGD-OUAUKWLOSA-N 1 0 227.304 0.812 10 0 BCAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC[S@@](C)=O ZINC000229283933 640941765 /nfs/dbraw/zinc/94/17/65/640941765.db2.gz CNUDXOHUCAOYQI-XHBSWPGZSA-N 1 0 244.404 0.924 10 0 BCAERO CNS(=O)(=O)CC12CC[NH+](CC1)CC2 ZINC000675063244 640955558 /nfs/dbraw/zinc/95/55/58/640955558.db2.gz AESMXRGRGMCJMP-UHFFFAOYSA-N 1 0 218.322 0.022 10 0 BCAERO O=C(CC(F)(F)F)NC[C@@H]1CC[NH2+]C1 ZINC000087654743 640957361 /nfs/dbraw/zinc/95/73/61/640957361.db2.gz OWVYPSPZMIXRLV-ZCFIWIBFSA-N 1 0 210.199 0.665 10 0 BCAERO Cc1n[nH]cc1C(=O)NC[C@H]1CC[NH2+]C1 ZINC000087654842 640957899 /nfs/dbraw/zinc/95/78/99/640957899.db2.gz WZCOKJJMMYCIKH-QMMMGPOBSA-N 1 0 208.265 0.057 10 0 BCAERO Cn1ncnc1[C@@H](C[NH3+])c1ccccc1 ZINC000061609626 640976607 /nfs/dbraw/zinc/97/66/07/640976607.db2.gz CFMKDAFDNZEYQH-JTQLQIEISA-N 1 0 202.261 0.906 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)[C@@H]1CCOC1 ZINC000061883833 641003370 /nfs/dbraw/zinc/00/33/70/641003370.db2.gz ZUHXPOLQFMUNPX-IVZWLZJFSA-N 1 0 212.293 0.267 10 0 BCAERO [NH3+][C@H](CC(=O)NC[C@H](O)C(F)(F)F)C1CC1 ZINC000230062368 641009596 /nfs/dbraw/zinc/00/95/96/641009596.db2.gz ZDQKNTCQUZFFHI-RQJHMYQMSA-N 1 0 240.225 0.153 10 0 BCAERO O=C(COCC(F)(F)F)NC[C@H]1CC[NH2+]C1 ZINC000230072986 641013328 /nfs/dbraw/zinc/01/33/28/641013328.db2.gz KIYISXFUSYXPQS-ZETCQYMHSA-N 1 0 240.225 0.291 10 0 BCAERO O=C(NC[C@H]1CC[NH2+]C1)C(F)(F)C(F)F ZINC000230072881 641013333 /nfs/dbraw/zinc/01/33/33/641013333.db2.gz HBIVELLLJFZIAS-YFKPBYRVSA-N 1 0 228.189 0.613 10 0 BCAERO COc1ncccc1NC(=O)[C@H]1CC[NH2+]C1 ZINC000062113834 641021898 /nfs/dbraw/zinc/02/18/98/641021898.db2.gz WBGPJKJJEKPRAS-QMMMGPOBSA-N 1 0 221.260 0.638 10 0 BCAERO OCc1cc(N2CCn3ccnc3C2)cc[nH+]1 ZINC000062255401 641030918 /nfs/dbraw/zinc/03/09/18/641030918.db2.gz IFZYSYKITHYLNN-UHFFFAOYSA-N 1 0 230.271 0.791 10 0 BCAERO CCOC(=O)[C@H]([NH3+])CCn1nc(C)cc1C ZINC000062535343 641057508 /nfs/dbraw/zinc/05/75/08/641057508.db2.gz WIFQVPDCUHJMCB-SNVBAGLBSA-N 1 0 225.292 0.780 10 0 BCAERO CC(C)[NH2+][C@H](CCn1cccn1)C(N)=O ZINC000062535651 641057941 /nfs/dbraw/zinc/05/79/41/641057941.db2.gz AJZCVOYHFVOGHY-SECBINFHSA-N 1 0 210.281 0.125 10 0 BCAERO CCC[NH2+][C@H](CCn1ccnc1)C(N)=O ZINC000062534873 641058462 /nfs/dbraw/zinc/05/84/62/641058462.db2.gz WVGNATZAPLUGID-SECBINFHSA-N 1 0 210.281 0.127 10 0 BCAERO CCOC(=O)[C@@H]([NH3+])CCn1nc(C)nc1C ZINC000062537065 641058817 /nfs/dbraw/zinc/05/88/17/641058817.db2.gz CNPCHRZXOUGAII-VIFPVBQESA-N 1 0 226.280 0.175 10 0 BCAERO CC[NH2+][C@@H](CCn1ccnc1CC)C(N)=O ZINC000062537312 641059288 /nfs/dbraw/zinc/05/92/88/641059288.db2.gz PBRSWBKSSQPTNA-VIFPVBQESA-N 1 0 224.308 0.299 10 0 BCAERO CCC(C)(C)NC(=O)[C@H](C)OC1C[NH2+]C1 ZINC000062809810 641093701 /nfs/dbraw/zinc/09/37/01/641093701.db2.gz AAHUVTLVIWTNBD-QMMMGPOBSA-N 1 0 214.309 0.668 10 0 BCAERO C[C@H](OC1C[NH2+]C1)C(=O)NC(C)(C)C ZINC000062809763 641094124 /nfs/dbraw/zinc/09/41/24/641094124.db2.gz PMMPLOCTXMSTMD-ZETCQYMHSA-N 1 0 200.282 0.278 10 0 BCAERO C[C@H](NC(=O)[C@]1(C)CC[NH2+]C1)[C@H]1CCCO1 ZINC000062890716 641105653 /nfs/dbraw/zinc/10/56/53/641105653.db2.gz MORPWIAPXKBDCC-HOSYDEDBSA-N 1 0 226.320 0.670 10 0 BCAERO O=C(C[C@@H]1CC[NH2+]C1)NC[C@@H](O)C(F)(F)F ZINC000230946980 641118624 /nfs/dbraw/zinc/11/86/24/641118624.db2.gz LZBNTONBSOOQRS-NKWVEPMBSA-N 1 0 240.225 0.025 10 0 BCAERO COCc1nc(C[C@@H]2CCC[NH2+]C2)no1 ZINC000063084702 641127892 /nfs/dbraw/zinc/12/78/92/641127892.db2.gz IXGXKCBSJWKGFL-QMMMGPOBSA-N 1 0 211.265 0.758 10 0 BCAERO C[C@@H]([NH3+])CCNC(=O)[C@@H](O)c1ccccc1 ZINC000063169961 641143373 /nfs/dbraw/zinc/14/33/73/641143373.db2.gz BZAMDAIVMCLRRD-KOLCDFICSA-N 1 0 222.288 0.574 10 0 BCAERO C[C@@H]([NH3+])CCNS(=O)(=O)c1ccccc1F ZINC000063171193 641143376 /nfs/dbraw/zinc/14/33/76/641143376.db2.gz MGRPHVVHYTUQJT-MRVPVSSYSA-N 1 0 246.307 0.841 10 0 BCAERO Nc1cnc(C[N@@H+]2CCC[C@@H]2CCCO)cn1 ZINC000231298959 641158478 /nfs/dbraw/zinc/15/84/78/641158478.db2.gz KLWVMDGAFVNITN-LLVKDONJSA-N 1 0 236.319 0.796 10 0 BCAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cnc(N)cn1 ZINC000231301389 641160273 /nfs/dbraw/zinc/16/02/73/641160273.db2.gz OFLWMXJYXKBGQE-CMPLNLGQSA-N 1 0 247.346 0.727 10 0 BCAERO CN(Cc1cncn1C)[C@@H]1CCC[NH2+]CC1 ZINC000231463854 641174413 /nfs/dbraw/zinc/17/44/13/641174413.db2.gz NCTUCMAKXGJLHR-LLVKDONJSA-N 1 0 222.336 0.994 10 0 BCAERO CCC[C@H]([NH3+])C(=O)NC[C@@H]1CCCC[C@H]1O ZINC000232016264 641230762 /nfs/dbraw/zinc/23/07/62/641230762.db2.gz YAENJPOMWNGTFT-GARJFASQSA-N 1 0 228.336 0.781 10 0 BCAERO CO[C@H](C[NH3+])CC(=O)NC[C@@H]1CCCC[C@@H]1O ZINC000232121360 641242617 /nfs/dbraw/zinc/24/26/17/641242617.db2.gz AKQSNHRAUAJDKC-DCAQKATOSA-N 1 0 244.335 0.018 10 0 BCAERO C[C@@H](NC(=O)[C@@H]1CCC[NH2+]1)[C@@H]1CCCO1 ZINC000035236903 641272716 /nfs/dbraw/zinc/27/27/16/641272716.db2.gz HSDGQMIVYIXKJI-UTLUCORTSA-N 1 0 212.293 0.422 10 0 BCAERO C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)[C@H]1CCCO1 ZINC000035236904 641273009 /nfs/dbraw/zinc/27/30/09/641273009.db2.gz HSDGQMIVYIXKJI-LPEHRKFASA-N 1 0 212.293 0.422 10 0 BCAERO CC(C)[NH2+]CC(=O)NC[C@H](O)C(F)(F)F ZINC000232665340 641329648 /nfs/dbraw/zinc/32/96/48/641329648.db2.gz SHHSNTUDCYDAND-LURJTMIESA-N 1 0 228.214 0.024 10 0 BCAERO C[C@H](O)[C@H](O)C[N@@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000929513648 641340493 /nfs/dbraw/zinc/34/04/93/641340493.db2.gz FZNVCDARKBAWII-ZMLRMANQSA-N 1 0 239.319 0.299 10 0 BCAERO CC(C)COCCN1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000232676682 641344034 /nfs/dbraw/zinc/34/40/34/641344034.db2.gz CZTDDNTWGONACU-MNOVXSKESA-N 1 0 200.326 0.938 10 0 BCAERO CC(C)OC(=O)CNC(=O)[C@H]1CCC[NH2+][C@@H]1C ZINC000312262775 641389615 /nfs/dbraw/zinc/38/96/15/641389615.db2.gz AGXFXMBTCCUVDN-ZJUUUORDSA-N 1 0 242.319 0.442 10 0 BCAERO Cn1ncc2c1ncnc2N[C@@H]1CCC[C@H]1C[NH3+] ZINC000089092140 641427685 /nfs/dbraw/zinc/42/76/85/641427685.db2.gz LGWIEUUHYDHDEL-WCBMZHEXSA-N 1 0 246.318 0.903 10 0 BCAERO Cc1ocnc1C(=O)NC[C@@H]1CC[NH2+]C1 ZINC000261539323 641432391 /nfs/dbraw/zinc/43/23/91/641432391.db2.gz CCWCVAYTJZDVQL-MRVPVSSYSA-N 1 0 209.249 0.322 10 0 BCAERO Cn1cc(C(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)cn1 ZINC000040740791 641534519 /nfs/dbraw/zinc/53/45/19/641534519.db2.gz WOFARJZVKXROBQ-ZACCUICWSA-N 1 0 234.303 0.433 10 0 BCAERO CC(C)C[C@H](CO)[NH2+]CCS(C)(=O)=O ZINC000040776793 641536714 /nfs/dbraw/zinc/53/67/14/641536714.db2.gz ZMKVHNUDTAQQPB-SECBINFHSA-N 1 0 223.338 0.028 10 0 BCAERO CCC1CCC(NC(=O)CNC(=O)C[NH3+])CC1 ZINC000042581813 641554374 /nfs/dbraw/zinc/55/43/74/641554374.db2.gz RJWSABLLKKTTPR-UHFFFAOYSA-N 1 0 241.335 0.146 10 0 BCAERO Cc1cc(N2C[C@@H](C)O[C@H](C)C2)nc(N)[nH+]1 ZINC000043531888 641565412 /nfs/dbraw/zinc/56/54/12/641565412.db2.gz KKUSMYFIZHISFW-RKDXNWHRSA-N 1 0 222.292 0.981 10 0 BCAERO C[N@@H+]1CCC[C@@H](CNC(=O)n2ccnc2)C1 ZINC000044538490 641605836 /nfs/dbraw/zinc/60/58/36/641605836.db2.gz JWUIVFZBSSHSEX-JTQLQIEISA-N 1 0 222.292 0.783 10 0 BCAERO CN(C)c1noc([C@@H]2CCC[C@H]2C[NH3+])n1 ZINC000158840049 641654028 /nfs/dbraw/zinc/65/40/28/641654028.db2.gz PURHPJNGZQPVGB-JGVFFNPUSA-N 1 0 210.281 0.978 10 0 BCAERO Cc1nnc(N2CCCC[C@@H]2C[NH3+])nc1C ZINC000158971703 641660502 /nfs/dbraw/zinc/66/05/02/641660502.db2.gz IERRUQLFNNMFFB-SNVBAGLBSA-N 1 0 221.308 0.806 10 0 BCAERO CC[NH+]1CCN(C[C@@H](O)c2cccnc2)CC1 ZINC000032089985 641736874 /nfs/dbraw/zinc/73/68/74/641736874.db2.gz WGPQIAWDMKYEFF-CYBMUJFWSA-N 1 0 235.331 0.753 10 0 BCAERO CC(C)(C)[C@H](O)CNC(=O)[C@@H]([NH3+])CC1CC1 ZINC000324381337 641789696 /nfs/dbraw/zinc/78/96/96/641789696.db2.gz WNCVLVZAOFBBKP-VHSXEESVSA-N 1 0 228.336 0.637 10 0 BCAERO CCC(=O)CCN1CC[N@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000190218903 641850748 /nfs/dbraw/zinc/85/07/48/641850748.db2.gz XLMYLCJNEWMUGZ-VXGBXAGGSA-N 1 0 242.363 0.743 10 0 BCAERO CCONC(=O)N[C@@H]1CCC[N@H+](CC)C1 ZINC000154542473 642130216 /nfs/dbraw/zinc/13/02/16/642130216.db2.gz WJHMZWDQDYMRDT-SECBINFHSA-N 1 0 215.297 0.721 10 0 BCAERO C[C@H](C[NH3+])N(C)c1cncc(Cl)n1 ZINC000307637072 642448198 /nfs/dbraw/zinc/44/81/98/642448198.db2.gz VTEBGOGQKHRLBS-ZCFIWIBFSA-N 1 0 200.673 0.913 10 0 BCAERO CC[C@](C)(O)C[N@@H+]1CCN(C)[C@H](C)C1 ZINC000253213182 642631700 /nfs/dbraw/zinc/63/17/00/642631700.db2.gz BXXBWAOLZFAVOT-MNOVXSKESA-N 1 0 200.326 0.783 10 0 BCAERO O=c1cc(N2CC[N@@H+]3CCCC[C@H]3C2)nc[nH]1 ZINC000253627683 642671014 /nfs/dbraw/zinc/67/10/14/642671014.db2.gz MSOZAYRDFKTSFX-JTQLQIEISA-N 1 0 234.303 0.857 10 0 BCAERO O=c1cc(N2CC[N@@H+]3CCC[C@H]3C2)nc[nH]1 ZINC000253627799 642671819 /nfs/dbraw/zinc/67/18/19/642671819.db2.gz WMWLNIOXSYBVHM-VIFPVBQESA-N 1 0 220.276 0.467 10 0 BCAERO Cn1cnn(CN2CC[C@@H]([NH+](C)C)C2)c1=S ZINC000170842893 642697417 /nfs/dbraw/zinc/69/74/17/642697417.db2.gz RSBZOXRJRCTHAX-SECBINFHSA-N 1 0 241.364 0.544 10 0 BCAERO C[C@@H]1C[C@@H]1C(=O)N1C[C@@H](F)C[C@H]1C[NH3+] ZINC000306431321 642743062 /nfs/dbraw/zinc/74/30/62/642743062.db2.gz RGGZCXDPQFDIFH-XGEHTFHBSA-N 1 0 200.257 0.540 10 0 BCAERO CC(C)OC[C@H](O)CN1CCC[C@H]([NH3+])C1 ZINC000069660919 642893037 /nfs/dbraw/zinc/89/30/37/642893037.db2.gz PEPOOVZWMYRASV-WDEREUQCSA-N 1 0 216.325 0.195 10 0 BCAERO C[NH2+][C@H]1CCCN(C[C@@H](O)COC(C)C)C1 ZINC000069660963 642893261 /nfs/dbraw/zinc/89/32/61/642893261.db2.gz JPFLFFDEZLKNCR-NWDGAFQWSA-N 1 0 230.352 0.456 10 0 BCAERO CCN(C[C@@H](O)COC(C)C)[C@@H]1CC[NH2+]C1 ZINC000069661013 642893311 /nfs/dbraw/zinc/89/33/11/642893311.db2.gz KIUVOZAYNZTOPS-VXGBXAGGSA-N 1 0 230.352 0.456 10 0 BCAERO CCCc1nccn1C[C@H]([NH2+]CC)C(N)=O ZINC000069964642 642946994 /nfs/dbraw/zinc/94/69/94/642946994.db2.gz YVDJTGYJZBZBHE-VIFPVBQESA-N 1 0 224.308 0.299 10 0 BCAERO C[NH2+][C@@H](C)C(=O)N[C@@H]1COc2ccccc21 ZINC000070069111 642966550 /nfs/dbraw/zinc/96/65/50/642966550.db2.gz QWHJXJCBAZYVAN-WCBMZHEXSA-N 1 0 220.272 0.844 10 0 BCAERO CC(C)OC[C@@H](O)CN1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000070559222 643043367 /nfs/dbraw/zinc/04/33/67/643043367.db2.gz OZVLKFKHSRFXJY-UTUOFQBUSA-N 1 0 230.352 0.455 10 0 BCAERO C[C@@]1(C(=O)N[C@H]2CCC[C@H](O)C2)CCC[NH2+]1 ZINC000070618866 643049173 /nfs/dbraw/zinc/04/91/73/643049173.db2.gz QCGOZPIZZIYOPI-NHCYSSNCSA-N 1 0 226.320 0.548 10 0 BCAERO Cc1ccnn1CC[C@@H]([NH2+]C(C)C)C(N)=O ZINC000070686839 643060383 /nfs/dbraw/zinc/06/03/83/643060383.db2.gz XKJJVEPOZNLCEU-SNVBAGLBSA-N 1 0 224.308 0.434 10 0 BCAERO CC[NH2+][C@@H](CCn1cc(Cl)c(C)n1)C(N)=O ZINC000070704352 643061899 /nfs/dbraw/zinc/06/18/99/643061899.db2.gz XETRFBXHIDERDR-VIFPVBQESA-N 1 0 244.726 0.698 10 0 BCAERO CC[NH2+][C@@](C)(Cn1ncc(Cl)c1C)C(N)=O ZINC000070704618 643061906 /nfs/dbraw/zinc/06/19/06/643061906.db2.gz UKHFAUNRYDVZGV-JTQLQIEISA-N 1 0 244.726 0.698 10 0 BCAERO Cc1c(Cl)cnn1C[C@@H]([NH2+]C(C)C)C(N)=O ZINC000070704521 643063178 /nfs/dbraw/zinc/06/31/78/643063178.db2.gz WKUAMLOPGDJPEV-SECBINFHSA-N 1 0 244.726 0.697 10 0 BCAERO CCCS(=O)(=O)CC[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000183135966 643090557 /nfs/dbraw/zinc/09/05/57/643090557.db2.gz IVRRIRQLAKUFIO-WDEREUQCSA-N 1 0 249.376 0.968 10 0 BCAERO CC(C)OC[C@H](O)CN1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000252681961 643091452 /nfs/dbraw/zinc/09/14/52/643091452.db2.gz BHQMREDCZGDXQG-FRRDWIJNSA-N 1 0 242.363 0.599 10 0 BCAERO [NH3+]CCCCCC(=O)N[C@H]1CCCOC1 ZINC000071023636 643095062 /nfs/dbraw/zinc/09/50/62/643095062.db2.gz FNYAQPMNDYDSRC-JTQLQIEISA-N 1 0 214.309 0.801 10 0 BCAERO [NH3+]Cc1nnn(C2CC2)c1C1CCOCC1 ZINC000757136028 643277534 /nfs/dbraw/zinc/27/75/34/643277534.db2.gz BDBKGTAUROUFCO-UHFFFAOYSA-N 1 0 222.292 0.966 10 0 BCAERO CCOC(C[NH2+][C@@H](C(=O)NC)C(C)C)OCC ZINC000185382252 643302028 /nfs/dbraw/zinc/30/20/28/643302028.db2.gz GCUCKEYJIVXVOS-LLVKDONJSA-N 1 0 246.351 0.746 10 0 BCAERO CN1CCO[C@@H](C[NH2+]Cc2ccoc2)C1 ZINC000082432901 643312641 /nfs/dbraw/zinc/31/26/41/643312641.db2.gz GPZZDVPARDUECH-NSHDSACASA-N 1 0 210.277 0.700 10 0 BCAERO C1CCC2(CC1)[NH2+]C[C@]1(COCCN1)CO2 ZINC000757144227 643315063 /nfs/dbraw/zinc/31/50/63/643315063.db2.gz NHFIUMPWJMTREZ-NSHDSACASA-N 1 0 226.320 0.625 10 0 BCAERO COC(C[NH2+][C@H](C)[C@@H]1CCCO1)OC ZINC000082534432 643337097 /nfs/dbraw/zinc/33/70/97/643337097.db2.gz QMSUTAUMVCJIOO-BDAKNGLRSA-N 1 0 203.282 0.762 10 0 BCAERO CN(C)S(=O)(=O)C[C@@H]([NH3+])C1CCCC1 ZINC000757152033 643343138 /nfs/dbraw/zinc/34/31/38/643343138.db2.gz QRHAOIXKRVVSIM-SECBINFHSA-N 1 0 220.338 0.395 10 0 BCAERO [NH3+][C@@H](CS(=O)(=O)N1CCCCCC1)C1CC1 ZINC000757154466 643345836 /nfs/dbraw/zinc/34/58/36/643345836.db2.gz ZNCSZNDQELFHFG-NSHDSACASA-N 1 0 246.376 0.930 10 0 BCAERO CC[C@@H](C)[C@H]([NH3+])CS(=O)(=O)N(C)C ZINC000757154086 643346479 /nfs/dbraw/zinc/34/64/79/643346479.db2.gz VQROWBKSAKSXMJ-HTQZYQBOSA-N 1 0 208.327 0.251 10 0 BCAERO CC[C@H](C)[C@H]([NH3+])CS(=O)(=O)N(C)CC ZINC000757154483 643346646 /nfs/dbraw/zinc/34/66/46/643346646.db2.gz ZWPQUVJBCPYABC-DTWKUNHWSA-N 1 0 222.354 0.641 10 0 BCAERO C[C@@]([NH3+])(CC(N)=O)[C@H]1CCCSC1 ZINC000757154130 643346918 /nfs/dbraw/zinc/34/69/18/643346918.db2.gz CQXKJFCVGNBOGM-IONNQARKSA-N 1 0 202.323 0.722 10 0 BCAERO CCN(C)S(=O)(=O)C[C@@H]([NH3+])c1ccncc1 ZINC000757154480 643346979 /nfs/dbraw/zinc/34/69/79/643346979.db2.gz ZTSDMCNSCLSHBQ-SNVBAGLBSA-N 1 0 243.332 0.363 10 0 BCAERO C[C@H](C[NH3+])NS(=O)(=O)/C=C/c1ccccc1 ZINC000082578274 643347637 /nfs/dbraw/zinc/34/76/37/643347637.db2.gz JRCUJGPMESVEMB-QROSGCPLSA-N 1 0 240.328 0.924 10 0 BCAERO C[C@H]([NH3+])CN(C)c1ncnc2c1cnn2C ZINC000082592650 643350564 /nfs/dbraw/zinc/35/05/64/643350564.db2.gz MHUCGEFWPKLWKE-ZETCQYMHSA-N 1 0 220.280 0.147 10 0 BCAERO CC(=O)[C@H]1CCC[N@H+](C[C@@H]2CNC(=O)O2)C1 ZINC000082644579 643359414 /nfs/dbraw/zinc/35/94/14/643359414.db2.gz AMKQROLBRAJJPJ-UWVGGRQHSA-N 1 0 226.276 0.396 10 0 BCAERO CCOC(=O)[C@H]1C[NH2+]C[C@@H]1c1c[nH]cn1 ZINC000757190096 643361134 /nfs/dbraw/zinc/36/11/34/643361134.db2.gz PNIPYRKOYKEXHB-YUMQZZPRSA-N 1 0 209.249 0.276 10 0 BCAERO CNC(=O)CCC[N@@H+]1CCC[C@H](C(C)=O)C1 ZINC000082672648 643365005 /nfs/dbraw/zinc/36/50/05/643365005.db2.gz XKHUBLUBWSOACJ-NSHDSACASA-N 1 0 226.320 0.814 10 0 BCAERO C[C@H]1CN(C(=O)[C@@H]2CCOC2)C[C@H](C)[NH2+]1 ZINC000082660086 643366485 /nfs/dbraw/zinc/36/64/85/643366485.db2.gz PKIFEPJOLOVJMC-LPEHRKFASA-N 1 0 212.293 0.232 10 0 BCAERO Cc1nn(C2CCOCC2)cc1C(N)=[NH2+] ZINC000757196735 643367921 /nfs/dbraw/zinc/36/79/21/643367921.db2.gz WWTUGSKTVFRGKN-UHFFFAOYSA-N 1 0 208.265 0.827 10 0 BCAERO N[C@H]1C[NH2+]CC[C@H]1c1cccc(C=O)c1 ZINC000757211186 643371601 /nfs/dbraw/zinc/37/16/01/643371601.db2.gz GSKPYXQNVWLJOE-RYUDHWBXSA-N 1 0 204.273 0.903 10 0 BCAERO N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(C=O)c1 ZINC000757211187 643371842 /nfs/dbraw/zinc/37/18/42/643371842.db2.gz GSKPYXQNVWLJOE-VXGBXAGGSA-N 1 0 204.273 0.903 10 0 BCAERO CC[NH2+][C@@](C)(C[C@H](C)n1ccnc1)C(N)=O ZINC000082800141 643382942 /nfs/dbraw/zinc/38/29/42/643382942.db2.gz AHRRNGUOKZLSCR-ONGXEEELSA-N 1 0 224.308 0.688 10 0 BCAERO C[NH2+]CCN(C)c1ccnc(N(C)C)n1 ZINC000082924207 643389681 /nfs/dbraw/zinc/38/96/81/643389681.db2.gz CRLYXVGQJCISCU-UHFFFAOYSA-N 1 0 209.297 0.198 10 0 BCAERO C[C@H]([NH3+])CN(C)c1cncc(Cl)n1 ZINC000307061684 643404203 /nfs/dbraw/zinc/40/42/03/643404203.db2.gz FPAFYLYRXJPRGS-LURJTMIESA-N 1 0 200.673 0.913 10 0 BCAERO C[C@@H](O)CCNC(=O)CCCCCC[NH3+] ZINC000082996029 643397666 /nfs/dbraw/zinc/39/76/66/643397666.db2.gz DILVDRSGZOBPJN-SNVBAGLBSA-N 1 0 216.325 0.783 10 0 BCAERO C[C@H](O)CCNC(=O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000082996172 643397726 /nfs/dbraw/zinc/39/77/26/643397726.db2.gz VBERBZHUYHMSCT-AEJSXWLSSA-N 1 0 214.309 0.391 10 0 BCAERO O[C@H](CN1CC[NH2+]CC1)c1ccc(F)c(F)c1 ZINC000022043873 643411146 /nfs/dbraw/zinc/41/11/46/643411146.db2.gz VRISFEGQDQVGFC-GFCCVEGCSA-N 1 0 242.269 0.903 10 0 BCAERO Cc1ncn(C[C@]([NH3+])(C(N)=O)C2CC2)c1C ZINC000068943281 643435471 /nfs/dbraw/zinc/43/54/71/643435471.db2.gz XWZSFBZMKRWHGM-LLVKDONJSA-N 1 0 222.292 0.093 10 0 BCAERO CCN(c1ccnc(C)n1)[C@H]1CC[NH2+]C1 ZINC000070901380 643465674 /nfs/dbraw/zinc/46/56/74/643465674.db2.gz WDQQEPDOPANWEE-JTQLQIEISA-N 1 0 206.293 0.973 10 0 BCAERO C[C@H]([NH3+])CS(=O)(=O)N1CCCCC1 ZINC000041215232 643494964 /nfs/dbraw/zinc/49/49/64/643494964.db2.gz QEEZFAHZWCBHBD-QMMMGPOBSA-N 1 0 206.311 0.149 10 0 BCAERO C[NH2+][C@](C)(C[C@H](C)n1cc(C)cn1)C(N)=O ZINC000082800509 643524971 /nfs/dbraw/zinc/52/49/71/643524971.db2.gz MPQWNJVONKWLRI-GXSJLCMTSA-N 1 0 224.308 0.606 10 0 BCAERO COC(=O)[C@](C)([NH3+])CCCCn1cccn1 ZINC000045434567 643556430 /nfs/dbraw/zinc/55/64/30/643556430.db2.gz AECRWVRXWKWHDH-LLVKDONJSA-N 1 0 225.292 0.944 10 0 BCAERO CO[C@H](C)CC(=O)N1CCC[C@H]1C[NH3+] ZINC000160390409 643568613 /nfs/dbraw/zinc/56/86/13/643568613.db2.gz NALQPTAMQABAQI-BDAKNGLRSA-N 1 0 200.282 0.361 10 0 BCAERO [NH3+]C[C@@H]1CCCCN1C(=O)c1csnn1 ZINC000083591924 643592787 /nfs/dbraw/zinc/59/27/87/643592787.db2.gz WJINHCBDPKCXDF-ZETCQYMHSA-N 1 0 226.305 0.492 10 0 BCAERO C[NH2+]C[C@H]1CCN(c2nc(C)ns2)C1 ZINC000083649097 643603095 /nfs/dbraw/zinc/60/30/95/643603095.db2.gz KAQORCNTSVQTMM-MRVPVSSYSA-N 1 0 212.322 0.892 10 0 BCAERO COc1cc(C)nc(N2CC[C@@H](C[NH3+])C2)n1 ZINC000166458141 643646565 /nfs/dbraw/zinc/64/65/65/643646565.db2.gz UQBRTDFTCUUERT-VIFPVBQESA-N 1 0 222.292 0.579 10 0 BCAERO C[C@@H]([NH3+])CC(=O)NC[C@H]1CCC[C@@H]1O ZINC000084238600 643652911 /nfs/dbraw/zinc/65/29/11/643652911.db2.gz BICJFONFJVFCTF-HLTSFMKQSA-N 1 0 200.282 0.001 10 0 BCAERO O=C(C[NH2+]CC1CC1)NC[C@H]1CCC[C@H]1O ZINC000084239019 643653945 /nfs/dbraw/zinc/65/39/45/643653945.db2.gz GGGYWFGIWLLCGE-GHMZBOCLSA-N 1 0 226.320 0.263 10 0 BCAERO CCOCCNC(=O)[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000084301951 643655028 /nfs/dbraw/zinc/65/50/28/643655028.db2.gz SJBKEARXQBBTJT-GHMZBOCLSA-N 1 0 228.336 0.904 10 0 BCAERO COC(=O)CNC(=O)[C@H]1CCCC[C@H]1C[NH3+] ZINC000084301975 643656220 /nfs/dbraw/zinc/65/62/20/643656220.db2.gz KMQRTFRGTHNGEL-IUCAKERBSA-N 1 0 228.292 0.041 10 0 BCAERO C[C@@H](NC(=O)C[C@@H]1CC[NH2+]C1)[C@@H]1CCCO1 ZINC000084381986 643659513 /nfs/dbraw/zinc/65/95/13/643659513.db2.gz CXVTZWMBWAAXEV-VWYCJHECSA-N 1 0 226.320 0.670 10 0 BCAERO Nc1nc2n(n1)[C@@H]([C@@H]1CCC[NH2+]C1)CCN2 ZINC000236400287 643664175 /nfs/dbraw/zinc/66/41/75/643664175.db2.gz ZXXIHURLVCKEPX-HTQZYQBOSA-N 1 0 222.296 0.217 10 0 BCAERO CCOC(=O)[C@H](C)NC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000085012190 643679231 /nfs/dbraw/zinc/67/92/31/643679231.db2.gz SNHHAHYBQULYQA-CIUDSAMLSA-N 1 0 228.292 0.182 10 0 BCAERO CC(C)OC(=O)CNC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000236761897 643695617 /nfs/dbraw/zinc/69/56/17/643695617.db2.gz KGEHVEJKONLBJF-BDAKNGLRSA-N 1 0 228.292 0.182 10 0 BCAERO C[C@H]([NH2+]C[C@@H](O)CO)c1cc(F)ccc1F ZINC000085246581 643698252 /nfs/dbraw/zinc/69/82/52/643698252.db2.gz AZNOFSIQKULTQY-IONNQARKSA-N 1 0 231.242 0.969 10 0 BCAERO C[C@H]([NH2+]C[C@H](O)CO)c1cc(F)ccc1F ZINC000085246578 643698738 /nfs/dbraw/zinc/69/87/38/643698738.db2.gz AZNOFSIQKULTQY-CBAPKCEASA-N 1 0 231.242 0.969 10 0 BCAERO CCCCOC[C@@H](O)CN1CC[C@@H]([NH3+])C1 ZINC000227910257 643762025 /nfs/dbraw/zinc/76/20/25/643762025.db2.gz CZFWVFMELUGSJO-MNOVXSKESA-N 1 0 216.325 0.197 10 0 BCAERO C[C@H]1[NH2+]CCC[C@@H]1NS(=O)(=O)N1CCCC1 ZINC000085727473 643789793 /nfs/dbraw/zinc/78/97/93/643789793.db2.gz MSSXDFBMNWKMMG-ZJUUUORDSA-N 1 0 247.364 0.057 10 0 BCAERO CC(C)N(C)S(=O)(=O)N[C@H]1CCC[NH2+][C@@H]1C ZINC000085727651 643789909 /nfs/dbraw/zinc/78/99/09/643789909.db2.gz DMMUMEVFGRXKMF-ZJUUUORDSA-N 1 0 249.380 0.302 10 0 BCAERO CCCS(=O)(=O)N[C@H]1CCC[NH2+][C@@H]1C ZINC000085727483 643789944 /nfs/dbraw/zinc/78/99/44/643789944.db2.gz XSCWHAMGVLUEGH-BDAKNGLRSA-N 1 0 220.338 0.456 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)N1CCCC1 ZINC000085960492 643866486 /nfs/dbraw/zinc/86/64/86/643866486.db2.gz SLFQFKNAVPACJI-UWVGGRQHSA-N 1 0 211.309 0.919 10 0 BCAERO O=C(C[NH2+]CC1CC1)NC[C@H]1CCCC[C@H]1O ZINC000085986903 643877396 /nfs/dbraw/zinc/87/73/96/643877396.db2.gz PENRVFQLYFAVFF-VXGBXAGGSA-N 1 0 240.347 0.653 10 0 BCAERO Cc1cnc(NCCN2CCC([NH3+])CC2)nc1C ZINC000321528865 644135468 /nfs/dbraw/zinc/13/54/68/644135468.db2.gz IRYGYBNMOZUYKN-UHFFFAOYSA-N 1 0 249.362 0.928 10 0 BCAERO Cc1ncsc1CNC[C@H](O)C[NH+](C)C ZINC000078975425 644141412 /nfs/dbraw/zinc/14/14/12/644141412.db2.gz LTKLJVIFHHQXKY-VIFPVBQESA-N 1 0 229.349 0.464 10 0 BCAERO COC(=O)[C@@]1([NH3+])CCC[C@H](n2cccn2)C1 ZINC000086604670 644154895 /nfs/dbraw/zinc/15/48/95/644154895.db2.gz GDQMGFVBNJLYAM-GXSJLCMTSA-N 1 0 223.276 0.869 10 0 BCAERO COC(=O)[C@]1([NH3+])CCC[C@H](n2cccn2)C1 ZINC000086604669 644154947 /nfs/dbraw/zinc/15/49/47/644154947.db2.gz GDQMGFVBNJLYAM-ONGXEEELSA-N 1 0 223.276 0.869 10 0 BCAERO Cc1nccn1[C@H]1CCC[C@@]([NH3+])(C(N)=O)C1 ZINC000086604656 644155018 /nfs/dbraw/zinc/15/50/18/644155018.db2.gz SXOBAOBNFRRTPN-ONGXEEELSA-N 1 0 222.292 0.489 10 0 BCAERO COC(=O)[C@]1([NH3+])CCC[C@@H](n2ccnc2)C1 ZINC000086604643 644155804 /nfs/dbraw/zinc/15/58/04/644155804.db2.gz OOSNPHLOMHKRBO-KOLCDFICSA-N 1 0 223.276 0.869 10 0 BCAERO COC(=O)[C@]1([NH3+])CC[C@H](n2ccnc2C)C1 ZINC000086626667 644156619 /nfs/dbraw/zinc/15/66/19/644156619.db2.gz PBNNCXJXHZMBSN-ONGXEEELSA-N 1 0 223.276 0.787 10 0 BCAERO Cc1nn([C@H]2CC[C@]([NH3+])(C(N)=O)C2)cc1Cl ZINC000086627245 644157468 /nfs/dbraw/zinc/15/74/68/644157468.db2.gz JADWNYBCHUEANG-OIBJUYFYSA-N 1 0 242.710 0.753 10 0 BCAERO OC[C@H]1C[N@H+](CC2(O)CCCCC2)CCO1 ZINC000086841542 644185987 /nfs/dbraw/zinc/18/59/87/644185987.db2.gz YWXGYUPOTGDKGK-LLVKDONJSA-N 1 0 229.320 0.375 10 0 BCAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)COCC1CC1 ZINC000193535102 644251440 /nfs/dbraw/zinc/25/14/40/644251440.db2.gz MELBVQFHAVXPQD-GXSJLCMTSA-N 1 0 226.320 0.670 10 0 BCAERO COc1cc(N2CC[C@H]([NH3+])[C@H](C)C2)ncn1 ZINC000086887248 644256499 /nfs/dbraw/zinc/25/64/99/644256499.db2.gz FXMXHQWOHRKHEA-BDAKNGLRSA-N 1 0 222.292 0.659 10 0 BCAERO C[C@H]1C(=O)NCCC[N@H+]1C[C@@H]1CCC=CO1 ZINC000194848817 644350756 /nfs/dbraw/zinc/35/07/56/644350756.db2.gz LKBJRDALEMUDKN-QWRGUYRKSA-N 1 0 224.304 0.890 10 0 BCAERO O=C1C[C@H](C[NH2+]CCc2ccccc2)CN1 ZINC000083007305 644398190 /nfs/dbraw/zinc/39/81/90/644398190.db2.gz HQRZWOZGVJVPFL-GFCCVEGCSA-N 1 0 218.300 0.955 10 0 BCAERO CCC[NH2+][C@@](C)(CCn1ccnc1)C(N)=O ZINC000084507771 644425395 /nfs/dbraw/zinc/42/53/95/644425395.db2.gz FWRDZHNYBVJANZ-NSHDSACASA-N 1 0 224.308 0.517 10 0 BCAERO CCC[NH2+]CCNc1cc(OC)ncn1 ZINC000085481303 644441320 /nfs/dbraw/zinc/44/13/20/644441320.db2.gz XGLNYCQWMWYJQZ-UHFFFAOYSA-N 1 0 210.281 0.897 10 0 BCAERO C[NH2+]C[C@@H](C)C(=O)N[C@H]1CCCOC1 ZINC000086069095 644455855 /nfs/dbraw/zinc/45/58/55/644455855.db2.gz BSNXMAUATKKLHB-BDAKNGLRSA-N 1 0 200.282 0.137 10 0 BCAERO O[C@@H](CN1CC[N@@H+]2CCC[C@H]2C1)C1CC1 ZINC000086933271 644472897 /nfs/dbraw/zinc/47/28/97/644472897.db2.gz QSZHYSKDHJIFST-RYUDHWBXSA-N 1 0 210.321 0.537 10 0 BCAERO CC(C)(C)OC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000087044908 644474867 /nfs/dbraw/zinc/47/48/67/644474867.db2.gz VPHHZLVEHNXCQU-SFYZADRCSA-N 1 0 201.266 0.834 10 0 BCAERO CS(=O)(=O)[C@@H]1CCC[C@H](OC2C[NH2+]C2)C1 ZINC000087118640 644478576 /nfs/dbraw/zinc/47/85/76/644478576.db2.gz TYSVMLINEHSMBB-WCBMZHEXSA-N 1 0 233.333 0.331 10 0 BCAERO CS(=O)(=O)[C@H]1CCC[C@@H](OC2C[NH2+]C2)C1 ZINC000087118647 644478581 /nfs/dbraw/zinc/47/85/81/644478581.db2.gz TYSVMLINEHSMBB-SCZZXKLOSA-N 1 0 233.333 0.331 10 0 BCAERO C[C@H]1C[NH2+]CCN1C(=O)NC1CCCC1 ZINC000087313830 644487289 /nfs/dbraw/zinc/48/72/89/644487289.db2.gz RGPYGTFFFFAGOI-VIFPVBQESA-N 1 0 211.309 0.932 10 0 BCAERO CCCS(=O)(=O)N[C@H]1CC[NH2+]C[C@H]1F ZINC000685946150 644518092 /nfs/dbraw/zinc/51/80/92/644518092.db2.gz LISXYCCNOGGAAA-SFYZADRCSA-N 1 0 224.301 0.016 10 0 BCAERO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)c1ncccc1O ZINC000089091360 644533890 /nfs/dbraw/zinc/53/38/90/644533890.db2.gz FFQPQPBFARCKES-BDAKNGLRSA-N 1 0 235.287 0.644 10 0 BCAERO [NH3+]C1(C(=O)NC[C@@H]2CCC[C@H]2O)CCCCC1 ZINC000089169779 644537267 /nfs/dbraw/zinc/53/72/67/644537267.db2.gz KNBMKYFYPYCAPC-WDEREUQCSA-N 1 0 240.347 0.925 10 0 BCAERO CC(=O)NCCNC(=O)[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000089388079 644548905 /nfs/dbraw/zinc/54/89/05/644548905.db2.gz UGAPQTJRHDFGFK-GHMZBOCLSA-N 1 0 241.335 0.004 10 0 BCAERO COC(=O)CCNC(=O)[C@@H]1CCCC[C@H]1C[NH3+] ZINC000089395818 644549024 /nfs/dbraw/zinc/54/90/24/644549024.db2.gz WZNQQCUHYUQOOP-VHSXEESVSA-N 1 0 242.319 0.431 10 0 BCAERO COC(=O)CCNC(=O)[C@H]1CCCC[C@@H]1C[NH3+] ZINC000089395815 644549032 /nfs/dbraw/zinc/54/90/32/644549032.db2.gz WZNQQCUHYUQOOP-ZJUUUORDSA-N 1 0 242.319 0.431 10 0 BCAERO CC(C)(C)OC(=O)N1CC2(C1)C[NH2+]C[C@H]2CO ZINC000091304413 644621964 /nfs/dbraw/zinc/62/19/64/644621964.db2.gz AKKICTYCRNCDKH-VIFPVBQESA-N 1 0 242.319 0.435 10 0 BCAERO C[C@@H](C(=O)N(C)C[C@H]1CCCO1)[C@H](C)[NH3+] ZINC000248493238 644684676 /nfs/dbraw/zinc/68/46/76/644684676.db2.gz OZOACGWWFKIACK-KXUCPTDWSA-N 1 0 214.309 0.607 10 0 BCAERO Cc1ccc(C(=O)NCCN[C@H]2CC[NH2+]C2)cc1 ZINC000094087857 644708318 /nfs/dbraw/zinc/70/83/18/644708318.db2.gz ORIQXCINQUEYFH-ZDUSSCGKSA-N 1 0 247.342 0.676 10 0 BCAERO COC(=O)[C@H]1C[N@H+](CC(C)(C)O)C[C@@H]1C ZINC000094997056 644737453 /nfs/dbraw/zinc/73/74/53/644737453.db2.gz UPOCQPTVDARQHX-IUCAKERBSA-N 1 0 215.293 0.498 10 0 BCAERO C[C@@H]([NH3+])CN(C)c1ccc(C(=O)N(C)C)cn1 ZINC000095014904 644737591 /nfs/dbraw/zinc/73/75/91/644737591.db2.gz NTNRSKUQFVHVSL-SECBINFHSA-N 1 0 236.319 0.567 10 0 BCAERO [NH3+][C@@H]1CCC[C@H](C(=O)NC[C@@H]2CCC[C@H]2O)C1 ZINC000250668154 644774891 /nfs/dbraw/zinc/77/48/91/644774891.db2.gz SRYYGLUAFLGDLB-NNYUYHANSA-N 1 0 240.347 0.781 10 0 BCAERO CC(C)OC[C@H](O)CN1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000251711845 644819125 /nfs/dbraw/zinc/81/91/25/644819125.db2.gz OZVLKFKHSRFXJY-IJLUTSLNSA-N 1 0 230.352 0.455 10 0 BCAERO CCN1CCO[C@H](C[NH2+][C@H]2CCC[C@@H]2OC)C1 ZINC000252630573 644869850 /nfs/dbraw/zinc/86/98/50/644869850.db2.gz AGPWZHWGCSTFBL-AGIUHOORSA-N 1 0 242.363 0.864 10 0 BCAERO CCN(CC)C(=O)C[NH2+]C[C@@H](O)C(C)(C)C ZINC000304227197 644878554 /nfs/dbraw/zinc/87/85/54/644878554.db2.gz JMSHENCHROMCTO-SNVBAGLBSA-N 1 0 230.352 0.851 10 0 BCAERO C[C@H](NC(=O)[C@@H]([NH3+])CC1CC1)[C@@H]1CCCO1 ZINC000304297058 644888157 /nfs/dbraw/zinc/88/81/57/644888157.db2.gz ALBUBWSOUCJUML-LSJOCFKGSA-N 1 0 226.320 0.798 10 0 BCAERO C[S@](=O)CCN1CC[N@@H+]2CCC[C@H]2C1 ZINC000252936022 644926150 /nfs/dbraw/zinc/92/61/50/644926150.db2.gz FUHAOSUJTLDZMQ-HZMBPMFUSA-N 1 0 216.350 0.145 10 0 BCAERO CC(C)(CO)[NH2+]C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000724635216 711602087 /nfs/dbraw/zinc/60/20/87/711602087.db2.gz DXONEBDUKKDEHP-UTLUCORTSA-N 1 0 215.293 0.151 10 0 BCAERO C[NH2+]CCc1noc([C@H](C)n2cccn2)n1 ZINC000721363628 711614364 /nfs/dbraw/zinc/61/43/64/711614364.db2.gz KQAREYZBXMZRQS-QMMMGPOBSA-N 1 0 221.264 0.637 10 0 BCAERO C[NH2+]CCc1noc([C@@H]2C[C@@H](C)CO2)n1 ZINC000718429511 711657366 /nfs/dbraw/zinc/65/73/66/711657366.db2.gz UZLOJIZDBBXPSS-SFYZADRCSA-N 1 0 211.265 0.929 10 0 BCAERO CSC[C@H](C)C(=O)N1C[C@@H](F)C[C@H]1C[NH3+] ZINC000378666001 711686700 /nfs/dbraw/zinc/68/67/00/711686700.db2.gz GGBAPEKAKIDYHV-CIUDSAMLSA-N 1 0 234.340 0.883 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1Nc1ccnc(N(C)C)n1 ZINC000721973542 711854871 /nfs/dbraw/zinc/85/48/71/711854871.db2.gz RPNXRLSMMMOBFT-RKDXNWHRSA-N 1 0 221.308 0.562 10 0 BCAERO COC[C@H](CN1CCO[C@@H]2C[NH2+]C[C@@H]21)C(C)C ZINC000721912121 711917537 /nfs/dbraw/zinc/91/75/37/711917537.db2.gz BSVYPUXBMKUPMR-RWMBFGLXSA-N 1 0 242.363 0.578 10 0 BCAERO C[C@@H]([NH3+])CCNC(=O)c1cccc(F)n1 ZINC000701070164 712013426 /nfs/dbraw/zinc/01/34/26/712013426.db2.gz JRLDDTHNVGUQHE-SSDOTTSWSA-N 1 0 211.240 0.688 10 0 BCAERO CN(CCO)CC[N@H+](C)C[C@@H]1CCCOC1 ZINC000701026980 712012475 /nfs/dbraw/zinc/01/24/75/712012475.db2.gz CZTSJOQJCDXWSY-LBPRGKRZSA-N 1 0 230.352 0.269 10 0 BCAERO [NH3+]C[C@]1(CO)COCCN1C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000704928251 712120115 /nfs/dbraw/zinc/12/01/15/712120115.db2.gz UWHKYOQONDEPAW-RNJOBUHISA-N 1 0 240.347 0.055 10 0 BCAERO O[C@H]1COCC[C@H]1[NH2+]CCc1ccccc1 ZINC000706766964 712154542 /nfs/dbraw/zinc/15/45/42/712154542.db2.gz YVOMRQOBTKXGBP-OLZOCXBDSA-N 1 0 221.300 0.969 10 0 BCAERO CSC1CC([NH2+][C@H]2CCOC[C@H]2O)C1 ZINC000706876620 712157767 /nfs/dbraw/zinc/15/77/67/712157767.db2.gz KGXWCZFVAKQFOU-HORUIINNSA-N 1 0 217.334 0.620 10 0 BCAERO CC(C)N(C)S(=O)(=O)N1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000708830107 712199897 /nfs/dbraw/zinc/19/98/97/712199897.db2.gz LSLOWPPDDGLWJF-ZJUUUORDSA-N 1 0 249.380 0.098 10 0 BCAERO C[C@H](CC1CCC1)[NH2+][C@@H]1CS(=O)(=O)C[C@H]1O ZINC000710243618 712248884 /nfs/dbraw/zinc/24/88/84/712248884.db2.gz OTHXLMVFVICIQB-FBIMIBRVSA-N 1 0 247.360 0.313 10 0 BCAERO COC1(OC)CC[C@@H]1[NH2+][C@H]1CCC(=O)N[C@H]1C ZINC000710965469 712269473 /nfs/dbraw/zinc/26/94/73/712269473.db2.gz IWBOFOBOUTWKLD-GUBZILKMSA-N 1 0 242.319 0.395 10 0 BCAERO CC1(C)C[NH2+]C[C@@H]1C(=O)N[C@H]1CCCOC1 ZINC000711216022 712289634 /nfs/dbraw/zinc/28/96/34/712289634.db2.gz QSRZVEHASOLINF-VHSXEESVSA-N 1 0 226.320 0.527 10 0 BCAERO C[C@H](O)CCNC(=O)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000711293602 712293299 /nfs/dbraw/zinc/29/32/99/712293299.db2.gz ZZUGOJAWDHPPNH-UMNHJUIQSA-N 1 0 226.320 0.406 10 0 BCAERO O=C(N[C@@]12CCC[C@@H]1[NH2+]CC2)[C@H]1CCCO1 ZINC000711596208 712311067 /nfs/dbraw/zinc/31/10/67/712311067.db2.gz BUNVIXJPEMVIQK-JFGNBEQYSA-N 1 0 224.304 0.566 10 0 BCAERO CN1CCC[C@H]1C[N@@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000712263552 712344777 /nfs/dbraw/zinc/34/47/77/712344777.db2.gz HDAYZQHCPRJVOE-RVMXOQNASA-N 1 0 224.348 0.783 10 0 BCAERO Cc1nn(C)c(Cl)c1C[NH2+][C@@H]1C[C@H]1CO ZINC000378672856 712356800 /nfs/dbraw/zinc/35/68/00/712356800.db2.gz LRZJQNNCWOZSCB-IONNQARKSA-N 1 0 229.711 0.852 10 0 BCAERO [NH3+]C[C@@H]1C[C@H](F)CN1S(=O)(=O)CCCF ZINC000378790426 712361251 /nfs/dbraw/zinc/36/12/51/712361251.db2.gz NGSFTXJSRXOEGV-YUMQZZPRSA-N 1 0 242.291 0.047 10 0 BCAERO CC(C)[C@H](C)[NH+]1CCC(C(=O)NCCO)CC1 ZINC000712650355 712439942 /nfs/dbraw/zinc/43/99/42/712439942.db2.gz HROUIZJMGXHDHV-NSHDSACASA-N 1 0 242.363 0.851 10 0 BCAERO CN1CC[C@H]1C[NH2+]C[C@@H](O)C(C)(C)C ZINC000712616288 712438490 /nfs/dbraw/zinc/43/84/90/712438490.db2.gz QNCWZVNURKMEPX-VHSXEESVSA-N 1 0 200.326 0.687 10 0 BCAERO C[C@@H]1CCCN(C(=O)[C@H]2CO[C@@H](C[NH3+])C2)C1 ZINC000713827862 712472711 /nfs/dbraw/zinc/47/27/11/712472711.db2.gz ZAILKBDMGCFLBG-GMTAPVOTSA-N 1 0 226.320 0.609 10 0 BCAERO CCC(C)(C)NC(=O)[C@@H]1CO[C@@H](C[NH3+])C1 ZINC000713874610 712473222 /nfs/dbraw/zinc/47/32/22/712473222.db2.gz UADSLHQZXIMIKH-DTWKUNHWSA-N 1 0 214.309 0.655 10 0 BCAERO CCCCNC(=O)[C@H]1CO[C@H](C[NH3+])C1 ZINC000713838378 712473251 /nfs/dbraw/zinc/47/32/51/712473251.db2.gz RIALCESVIIOXGG-BDAKNGLRSA-N 1 0 200.282 0.267 10 0 BCAERO [NH3+]C[C@@H]1C[C@H](C(=O)NCc2ccsc2)CO1 ZINC000713852650 712473252 /nfs/dbraw/zinc/47/32/52/712473252.db2.gz LUWFNZHJSIPCJY-UWVGGRQHSA-N 1 0 240.328 0.728 10 0 BCAERO CCOCCCCNC(=O)[C@H]1CO[C@@H](C[NH3+])C1 ZINC000713767121 712471974 /nfs/dbraw/zinc/47/19/74/712471974.db2.gz QTFFJLNXCRDPPT-GHMZBOCLSA-N 1 0 244.335 0.283 10 0 BCAERO COCC1CC(NC(=O)C[C@H](C)[NH3+])C1 ZINC000713930562 712473883 /nfs/dbraw/zinc/47/38/83/712473883.db2.gz LBYLNGHHWHXTGP-UEJVZZJDSA-N 1 0 200.282 0.265 10 0 BCAERO COCC1CC(NC(=O)C[C@@H]([NH3+])C2CC2)C1 ZINC000713936556 712474155 /nfs/dbraw/zinc/47/41/55/712474155.db2.gz ZPKMINWYISMVIG-BOBPJJCASA-N 1 0 226.320 0.655 10 0 BCAERO COCC1CC(NC(=O)C[C@H]([NH3+])C(C)C)C1 ZINC000713942145 712474159 /nfs/dbraw/zinc/47/41/59/712474159.db2.gz AQUSXAVJJMGCKJ-ILDUYXDCSA-N 1 0 228.336 0.901 10 0 BCAERO CC[C@@H](C)[C@H]([NH3+])C(=O)NC1CC(COC)C1 ZINC000713942263 712474169 /nfs/dbraw/zinc/47/41/69/712474169.db2.gz FVXJYJITLDQSFR-SFXRXQKFSA-N 1 0 228.336 0.901 10 0 BCAERO COCC1CC(NC(=O)[C@@H](C)[C@H](C)[NH3+])C1 ZINC000713930006 712473778 /nfs/dbraw/zinc/47/37/78/712473778.db2.gz GCQYSZGAWQJTBB-DKEVHCRPSA-N 1 0 214.309 0.511 10 0 BCAERO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NC1CC(COC)C1 ZINC000713996770 712476903 /nfs/dbraw/zinc/47/69/03/712476903.db2.gz YLUGNCDFAXYUQR-QQFIATSDSA-N 1 0 240.347 0.916 10 0 BCAERO COCC1CC([NH2+][C@H](C)CS(C)(=O)=O)C1 ZINC000714008351 712477537 /nfs/dbraw/zinc/47/75/37/712477537.db2.gz RRYGPAZDBDPPMA-XNWIYYODSA-N 1 0 235.349 0.434 10 0 BCAERO [NH3+]C[C@@H]1C[C@@H](c2nc(C3CC3)no2)CO1 ZINC000714074150 712477861 /nfs/dbraw/zinc/47/78/61/712477861.db2.gz CLDSEFLQYPXUHM-SFYZADRCSA-N 1 0 209.249 0.778 10 0 BCAERO CC(C)[C@H](C)NC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000715074291 712506103 /nfs/dbraw/zinc/50/61/03/712506103.db2.gz PXODYJFOVANSAO-FXQIFTODSA-N 1 0 220.263 0.987 10 0 BCAERO C[C@H]1C[C@@H]1NC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000715152240 712512655 /nfs/dbraw/zinc/51/26/55/712512655.db2.gz BKWFOPJSBQMACD-AXMZGBSTSA-N 1 0 204.220 0.351 10 0 BCAERO CC[N@@H+]1CCC[C@H](N[C@@H](C)c2cn(C)nn2)C1 ZINC000715896302 712540509 /nfs/dbraw/zinc/54/05/09/712540509.db2.gz YWJCTSUWFLKPJV-QWRGUYRKSA-N 1 0 237.351 0.950 10 0 BCAERO C[C@@H]1C[C@H]([NH2+]C2CC(C(N)=O)C2)[C@H](C)O1 ZINC000716681849 712570077 /nfs/dbraw/zinc/57/00/77/712570077.db2.gz DKQSPPLNFCKXNK-ACLMFKJJSA-N 1 0 212.293 0.406 10 0 BCAERO Cc1cnc(C[NH2+]C2CC(C(N)=O)C2)s1 ZINC000716683892 712570095 /nfs/dbraw/zinc/57/00/95/712570095.db2.gz LFTUFIBOGNYMSL-UHFFFAOYSA-N 1 0 225.317 0.805 10 0 BCAERO CC(C)n1nccc1C[NH2+]C1CC(C(N)=O)C1 ZINC000716687855 712570440 /nfs/dbraw/zinc/57/04/40/712570440.db2.gz SULTVAPDTRDDMX-UHFFFAOYSA-N 1 0 236.319 0.818 10 0 BCAERO CC1(C)COC[C@@H]1[NH2+]C1CC(C(N)=O)C1 ZINC000716707336 712570445 /nfs/dbraw/zinc/57/04/45/712570445.db2.gz SHACUJMQRMKREZ-HACHORDNSA-N 1 0 212.293 0.265 10 0 BCAERO Cc1cnn(C)c1C[NH2+]C1CC(C(N)=O)C1 ZINC000716688501 712570478 /nfs/dbraw/zinc/57/04/78/712570478.db2.gz XTPCLXNCUNMWLL-UHFFFAOYSA-N 1 0 222.292 0.082 10 0 BCAERO Cc1ncccc1C[NH2+]C1CC(C(N)=O)C1 ZINC000716714507 712570944 /nfs/dbraw/zinc/57/09/44/712570944.db2.gz ARDIZZSPQJHNNA-UHFFFAOYSA-N 1 0 219.288 0.744 10 0 BCAERO CC[C@@H]1COC[C@@H]1[NH2+]C1CC(C(N)=O)C1 ZINC000716729819 712571332 /nfs/dbraw/zinc/57/13/32/712571332.db2.gz BSUFNQFAJKSMTM-WOOKNIGNSA-N 1 0 212.293 0.265 10 0 BCAERO C[C@@H]1CSC[C@H]1[NH2+]C1CC(C(N)=O)C1 ZINC000716731814 712571476 /nfs/dbraw/zinc/57/14/76/712571476.db2.gz PTJCTRDQMUNSFL-MDVIFZSFSA-N 1 0 214.334 0.591 10 0 BCAERO NC(=O)C1CC([NH2+]Cc2cscn2)C1 ZINC000716731726 712571579 /nfs/dbraw/zinc/57/15/79/712571579.db2.gz MZAJLELOEZESKJ-UHFFFAOYSA-N 1 0 211.290 0.497 10 0 BCAERO CCn1ccnc1C[NH2+]C1CC(C(N)=O)C1 ZINC000716760058 712572319 /nfs/dbraw/zinc/57/23/19/712572319.db2.gz LHEFPVHAZGYNPX-UHFFFAOYSA-N 1 0 222.292 0.257 10 0 BCAERO Cc1nn(C)cc1C[NH2+]C1CC(C(N)=O)C1 ZINC000716759312 712572531 /nfs/dbraw/zinc/57/25/31/712572531.db2.gz GSTXGWNYPMSYLX-UHFFFAOYSA-N 1 0 222.292 0.082 10 0 BCAERO C[C@@H]1CN(C(=O)COC2CC2)C[C@H]1C[NH3+] ZINC000717671370 712664113 /nfs/dbraw/zinc/66/41/13/712664113.db2.gz HQZNFWGHDVYMIH-RKDXNWHRSA-N 1 0 212.293 0.219 10 0 BCAERO C[C@H]1CN(S(=O)(=O)c2ccns2)C[C@@H]1[NH3+] ZINC000717735548 712669370 /nfs/dbraw/zinc/66/93/70/712669370.db2.gz LHOOPEPEOSFXHK-BQBZGAKWSA-N 1 0 247.345 0.111 10 0 BCAERO [NH3+]C1CC(CC(=O)NCC[C@@H]2CCCO2)C1 ZINC000718051618 712739666 /nfs/dbraw/zinc/73/96/66/712739666.db2.gz XLXISZLXJLCLCZ-ILDUYXDCSA-N 1 0 226.320 0.799 10 0 BCAERO C[NH2+][C@H](C)CNC(=O)[C@@H]1C[C@@H](C)CO1 ZINC000718475185 712764158 /nfs/dbraw/zinc/76/41/58/712764158.db2.gz GTZPJANZIATMSU-HLTSFMKQSA-N 1 0 200.282 0.136 10 0 BCAERO C[NH2+][C@H](C)CNC(=O)[C@@H]1C[C@H](C)CO1 ZINC000718475189 712764285 /nfs/dbraw/zinc/76/42/85/712764285.db2.gz GTZPJANZIATMSU-YIZRAAEISA-N 1 0 200.282 0.136 10 0 BCAERO CC[C@H](CO)[NH2+]C[C@@H](O)COC(C)(C)C ZINC000037851452 712775520 /nfs/dbraw/zinc/77/55/20/712775520.db2.gz IODAXNYSGFVWDJ-NXEZZACHSA-N 1 0 219.325 0.523 10 0 BCAERO C[C@H](N[C@@H](C)[C@@H]1CCC[NH2+]1)c1cn(C)nn1 ZINC000720600083 712856910 /nfs/dbraw/zinc/85/69/10/712856910.db2.gz BAFGSUZWXWWARH-GUBZILKMSA-N 1 0 223.324 0.606 10 0 BCAERO C[C@H](NC(=O)C[C@@H]1C[NH2+]C[C@H]1C)[C@H]1CCCO1 ZINC000722519290 710714444 /nfs/dbraw/zinc/71/44/44/710714444.db2.gz FBXYZAWGGIDPAX-WRWGMCAJSA-N 1 0 240.347 0.916 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1CNc1ccc2nccnc2n1 ZINC000723792488 710730988 /nfs/dbraw/zinc/73/09/88/710730988.db2.gz JSBVPOHGSCCAOO-ZJUUUORDSA-N 1 0 243.314 0.666 10 0 BCAERO CC[C@H](CO)[NH2+][C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000133056795 710967707 /nfs/dbraw/zinc/96/77/07/710967707.db2.gz OVHZLMORCIRPED-GMTAPVOTSA-N 1 0 249.376 0.703 10 0 BCAERO N#Cc1cc(N2CCCC[C@@H]2C[NH3+])ncn1 ZINC000380657434 712902211 /nfs/dbraw/zinc/90/22/11/712902211.db2.gz UOHIWNLESQECEC-SNVBAGLBSA-N 1 0 217.276 0.666 10 0 BCAERO COC1CC([NH2+][C@@H](C)C[C@@H]2CCC(=O)N2)C1 ZINC000380768312 712903112 /nfs/dbraw/zinc/90/31/12/712903112.db2.gz YDMWBWQNAHOVLY-SAAXCQNUSA-N 1 0 226.320 0.811 10 0 BCAERO COC(=O)[C@@H]1C[N@H+](C[C@@H](O)C(C)C)C[C@@H]1C ZINC000380862858 710592464 /nfs/dbraw/zinc/59/24/64/710592464.db2.gz PONYBAGPXOTLPM-HBNTYKKESA-N 1 0 229.320 0.744 10 0 BCAERO CCCCC[C@H](O)CC(=O)N[C@H](C)C[NH3+] ZINC000381272643 710614488 /nfs/dbraw/zinc/61/44/88/710614488.db2.gz WASDHZHGYNVYFK-ZJUUUORDSA-N 1 0 216.325 0.781 10 0 BCAERO CC[C@@H]1COC[C@H]1[NH2+]C[C@@H]1CC(=O)N(C)C1 ZINC000722714084 711466212 /nfs/dbraw/zinc/46/62/12/711466212.db2.gz VZIZLYPDLROECI-HBNTYKKESA-N 1 0 226.320 0.479 10 0 BCAERO CC[C@@H]1COC[C@@H]1[NH2+]C[C@H]1CC(=O)N(C)C1 ZINC000722714086 711466251 /nfs/dbraw/zinc/46/62/51/711466251.db2.gz VZIZLYPDLROECI-MXWKQRLJSA-N 1 0 226.320 0.479 10 0 BCAERO COc1cncc(C[NH2+]C[C@@H]2CC(=O)N(C)C2)c1 ZINC000722746002 711470005 /nfs/dbraw/zinc/47/00/05/711470005.db2.gz TYVAHVUEJLQUDR-NSHDSACASA-N 1 0 249.314 0.658 10 0 BCAERO Cc1ccc(C[NH2+]C[C@@H]2CC(=O)N(C)C2)cn1 ZINC000722745361 711470242 /nfs/dbraw/zinc/47/02/42/711470242.db2.gz APCYJGNNNRLOBQ-LBPRGKRZSA-N 1 0 233.315 0.958 10 0 BCAERO C[C@@H](O)[C@H](C)[NH2+]Cc1cnc(N(C)C)nc1 ZINC000336672213 711478236 /nfs/dbraw/zinc/47/82/36/711478236.db2.gz AEHBUBWQCHDJER-DTWKUNHWSA-N 1 0 224.308 0.402 10 0 BCAERO COc1ccnc(N2C3CCC2(C[NH3+])CC3)n1 ZINC000722987018 711494045 /nfs/dbraw/zinc/49/40/45/711494045.db2.gz QHUKFQZHZKKAJZ-UHFFFAOYSA-N 1 0 234.303 0.945 10 0 BCAERO O=C(NC[C@H]1CC[NH2+]C1)c1cccn2nccc12 ZINC000723491047 711513178 /nfs/dbraw/zinc/51/31/78/711513178.db2.gz FQXWGQJYLICWTQ-JTQLQIEISA-N 1 0 244.298 0.674 10 0 BCAERO Cc1cn(C)nc1C[NH2+][C@@H]1CCC(=O)N[C@@H]1C ZINC000723936591 711545430 /nfs/dbraw/zinc/54/54/30/711545430.db2.gz XSFCAKUXFVDQPB-NXEZZACHSA-N 1 0 236.319 0.485 10 0 BCAERO Cc1cn(C)nc1CN1C[C@H](C)[C@H](C[NH3+])C1 ZINC000723980225 711551245 /nfs/dbraw/zinc/55/12/45/711551245.db2.gz HRKZNLBJAPRAFB-GXSJLCMTSA-N 1 0 222.336 0.755 10 0 BCAERO Cc1cn(C)nc1C[N@@H+]1CC[C@H](CCO)C1 ZINC000723996821 711552541 /nfs/dbraw/zinc/55/25/41/711552541.db2.gz PSUIOMLTFORYQD-LLVKDONJSA-N 1 0 223.320 0.933 10 0 BCAERO CC[C@H]([NH2+][C@@H]1CCNC1=O)[C@@H]1CCCOC1 ZINC000724005309 711553895 /nfs/dbraw/zinc/55/38/95/711553895.db2.gz YOPXTGFHJIDBEX-OUAUKWLOSA-N 1 0 226.320 0.670 10 0 BCAERO COC[C@H](C)[NH2+]C[C@@H]1C[C@@H]2COC[C@H]2O1 ZINC000724656150 711606391 /nfs/dbraw/zinc/60/63/91/711606391.db2.gz BKZIWCHFBNUDKV-ZRUFSTJUSA-N 1 0 215.293 0.415 10 0 BCAERO Cc1nc(C)c(C[NH2+][C@H]2CCC(=O)N[C@@H]2C)[nH]1 ZINC000724779363 711613101 /nfs/dbraw/zinc/61/31/01/711613101.db2.gz FLWHCTFTWQPPHP-XCBNKYQSSA-N 1 0 236.319 0.783 10 0 BCAERO CC[C@@](C)(O)C[NH2+][C@@H]1COCC[C@H]1OC ZINC000724895248 711626296 /nfs/dbraw/zinc/62/62/96/711626296.db2.gz XKXAOJWULYZMHC-GMTAPVOTSA-N 1 0 217.309 0.541 10 0 BCAERO CC(C)(CO)[NH2+]CCO[C@@H]1CCOC1 ZINC000724932977 711630656 /nfs/dbraw/zinc/63/06/56/711630656.db2.gz CEORBJZFPMKBEH-SECBINFHSA-N 1 0 203.282 0.152 10 0 BCAERO CS(=O)(=O)CC[N@@H+]1CCC[C@@H]1CCCO ZINC000052761750 711637043 /nfs/dbraw/zinc/63/70/43/711637043.db2.gz FDICAXQIYFNEPB-SNVBAGLBSA-N 1 0 235.349 0.268 10 0 BCAERO C[NH2+]CCCCC(=O)NCC[C@H](C)O ZINC000719657588 711672876 /nfs/dbraw/zinc/67/28/76/711672876.db2.gz AALNWDGGPYBBIJ-VIFPVBQESA-N 1 0 202.298 0.263 10 0 BCAERO [NH3+]Cc1cn(Cc2scnc2Cl)nn1 ZINC000722003317 711696261 /nfs/dbraw/zinc/69/62/61/711696261.db2.gz JTFFBVCGXZDZFD-UHFFFAOYSA-N 1 0 229.696 0.895 10 0 BCAERO C(N[C@H]1CC[NH2+]C1)[C@@H]1CC[C@H](C2CC2)O1 ZINC000722311409 711734268 /nfs/dbraw/zinc/73/42/68/711734268.db2.gz DAMZCVYKMYBAJU-SDDRHHMPSA-N 1 0 210.321 0.896 10 0 BCAERO [NH3+][C@@H]1CC[C@H]2CN(C(=O)c3ccc[nH]c3=O)C[C@@H]12 ZINC000186933822 711738848 /nfs/dbraw/zinc/73/88/48/711738848.db2.gz OEKJTKICRNWOAR-JMJZKYOTSA-N 1 0 247.298 0.597 10 0 BCAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)N1CCN(C(C)=O)CC1 ZINC000037716148 711754826 /nfs/dbraw/zinc/75/48/26/711754826.db2.gz NHJXFHMUJQMWGM-MWLCHTKSSA-N 1 0 241.335 0.051 10 0 BCAERO c1cnn(Cc2nc(C[C@H]3CCC[NH2+]C3)no2)c1 ZINC000225430076 711756588 /nfs/dbraw/zinc/75/65/88/711756588.db2.gz YZQYGDDTZHJJJP-SNVBAGLBSA-N 1 0 247.302 0.857 10 0 BCAERO CC[C@]1(O)CCC[N@H+](C[C@@H]2CNC(=O)O2)C1 ZINC000710603223 711762104 /nfs/dbraw/zinc/76/21/04/711762104.db2.gz RLAXENYAPOXZIS-ONGXEEELSA-N 1 0 228.292 0.332 10 0 BCAERO c1csc([C@@H]2CCNC3=[NH+]CCN32)n1 ZINC000232463663 711776980 /nfs/dbraw/zinc/77/69/80/711776980.db2.gz YMAFVPHWKBAFJZ-ZETCQYMHSA-N 1 0 208.290 0.849 10 0 BCAERO CC[C@H](NC[C@@H]1CC[C@H]([NH3+])C1)C(=O)OC ZINC000669384771 711790220 /nfs/dbraw/zinc/79/02/20/711790220.db2.gz FIRUODJMTYPPRQ-UTLUCORTSA-N 1 0 214.309 0.655 10 0 BCAERO COCCNC(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000669384782 711790262 /nfs/dbraw/zinc/79/02/62/711790262.db2.gz GGEWGRJVUYMNSW-DTWKUNHWSA-N 1 0 215.297 0.059 10 0 BCAERO Cc1cc(N[C@@H]2C[NH2+]C[C@H]2C)n2ncnc2n1 ZINC000721864886 711792110 /nfs/dbraw/zinc/79/21/10/711792110.db2.gz IYJWVOACJKLOSO-VXNVDRBHSA-N 1 0 232.291 0.453 10 0 BCAERO COC(=O)[C@@H]1C[N@H+](Cc2cnccn2)C[C@@H]1C ZINC000227825190 711833096 /nfs/dbraw/zinc/83/30/96/711833096.db2.gz MYAWFSHRKUXCNJ-GXSJLCMTSA-N 1 0 235.287 0.718 10 0 BCAERO COC(=O)/C(C)=C\CN1CC[C@@H]([NH+](C)C)C1 ZINC000228042672 711833482 /nfs/dbraw/zinc/83/34/82/711833482.db2.gz JWOREPWMSMDURB-GULOHRGCSA-N 1 0 226.320 0.742 10 0 BCAERO CO[C@H]1C[C@@H](C[N@@H+]2CC[C@H]3OCCN[C@@H]3C2)C1 ZINC000721957898 711947771 /nfs/dbraw/zinc/94/77/71/711947771.db2.gz BNGKEODEUPCNIG-YVECIDJPSA-N 1 0 240.347 0.474 10 0 BCAERO CN(Cc1cnccn1)C(=O)C1CC([NH3+])C1 ZINC000700048910 711984939 /nfs/dbraw/zinc/98/49/39/711984939.db2.gz ZRJVCNBGAZFVQB-UHFFFAOYSA-N 1 0 220.276 0.172 10 0 BCAERO Cc1cc(=O)[nH]c(C[NH2+][C@@H]2COC[C@H]2C)n1 ZINC000700479474 711994546 /nfs/dbraw/zinc/99/45/46/711994546.db2.gz FQBKEXAZPKMBIS-VXNVDRBHSA-N 1 0 223.276 0.615 10 0 BCAERO C[C@H]1CN(C(=O)[C@@H]2C[NH2+]CCOC2)C(C)(C)C1 ZINC000700474448 711994799 /nfs/dbraw/zinc/99/47/99/711994799.db2.gz HRGXRHVGUBAJGY-GHMZBOCLSA-N 1 0 240.347 0.869 10 0 BCAERO CSCC[C@@H](C)NC(=O)[C@@H]1C[NH2+]CCOC1 ZINC000700497680 711995242 /nfs/dbraw/zinc/99/52/42/711995242.db2.gz VQHADXXWOYATGK-NXEZZACHSA-N 1 0 246.376 0.480 10 0 BCAERO C[C@@H](C[NH3+])N(C)C(=O)[C@@H]1Cc2ccccc2CO1 ZINC000700641526 712001243 /nfs/dbraw/zinc/00/12/43/712001243.db2.gz JGMWJKKFPYJREL-GWCFXTLKSA-N 1 0 248.326 0.934 10 0 BCAERO CC(C)([NH3+])CNC(=O)[C@H]1Cc2ccccc2CO1 ZINC000700650630 712001696 /nfs/dbraw/zinc/00/16/96/712001696.db2.gz DTTNPMWOQMNRKI-GFCCVEGCSA-N 1 0 248.326 0.981 10 0 BCAERO CC(C)(C[NH3+])NC(=O)[C@H]1Cc2ccccc2CO1 ZINC000700649903 712001857 /nfs/dbraw/zinc/00/18/57/712001857.db2.gz CUZBVLCHAMXWEO-GFCCVEGCSA-N 1 0 248.326 0.981 10 0 BCAERO C[C@@H]([NH3+])CCNC(=O)[C@H]1Cc2ccccc2CO1 ZINC000700649922 712001922 /nfs/dbraw/zinc/00/19/22/712001922.db2.gz CXTGZIPABNUOJX-ZWNOBZJWSA-N 1 0 248.326 0.981 10 0 BCAERO C[C@H]([NH3+])CN(C)C(=O)[C@H]1Cc2ccccc2CO1 ZINC000700658193 712001938 /nfs/dbraw/zinc/00/19/38/712001938.db2.gz XQPLBLGADRWLAF-GXFFZTMASA-N 1 0 248.326 0.934 10 0 BCAERO [NH3+]CCNC(=O)[C@@H]1Cc2ccccc2CO1 ZINC000700706864 712003594 /nfs/dbraw/zinc/00/35/94/712003594.db2.gz DBCWXRSAFLNRDA-NSHDSACASA-N 1 0 220.272 0.203 10 0 BCAERO O=C([C@H]1Cc2ccccc2CO1)N1CC[NH2+]CC1 ZINC000700688185 712003853 /nfs/dbraw/zinc/00/38/53/712003853.db2.gz FNUPKBVFKLOEDZ-CYBMUJFWSA-N 1 0 246.310 0.560 10 0 BCAERO C[C@H]1CN(C(=O)c2cccnc2F)C[C@@H]1[NH3+] ZINC000701052789 712013718 /nfs/dbraw/zinc/01/37/18/712013718.db2.gz DRNHQZGVKNAESK-CBAPKCEASA-N 1 0 223.251 0.640 10 0 BCAERO C[C@H]1CN(C(=O)c2cccc(F)n2)C[C@@H]1[NH3+] ZINC000701081488 712014711 /nfs/dbraw/zinc/01/47/11/712014711.db2.gz WJXUHUGBGLFCPW-YUMQZZPRSA-N 1 0 223.251 0.640 10 0 BCAERO C[NH2+]C[C@H](C)Nc1ncnc2c1CCC2 ZINC000701881150 712031447 /nfs/dbraw/zinc/03/14/47/712031447.db2.gz XWHCVHKFRFDYBZ-QMMMGPOBSA-N 1 0 206.293 0.985 10 0 BCAERO COC(=O)N(C)CC[NH2+]Cc1cnn(C)c1C ZINC000701899896 712032170 /nfs/dbraw/zinc/03/21/70/712032170.db2.gz ANTQKEXWBRUNPI-UHFFFAOYSA-N 1 0 240.307 0.516 10 0 BCAERO OCC[C@@H]1COCC[N@@H+]1C[C@@H]1CCC[C@@H](O)C1 ZINC000702190451 712040923 /nfs/dbraw/zinc/04/09/23/712040923.db2.gz HBHGIUKGXFWERT-JHJVBQTASA-N 1 0 243.347 0.621 10 0 BCAERO CO[C@@H](c1noc([C@@H](N)C[NH+](C)C)n1)C1CC1 ZINC000702215212 712042377 /nfs/dbraw/zinc/04/23/77/712042377.db2.gz RMJZENHVRBNIOZ-DTWKUNHWSA-N 1 0 240.307 0.729 10 0 BCAERO [NH3+]C[C@H]1CCC[C@@H]1C(=O)NCc1ncccn1 ZINC000702342943 712046064 /nfs/dbraw/zinc/04/60/64/712046064.db2.gz RMOHQAYBWLPLBR-ZJUUUORDSA-N 1 0 234.303 0.468 10 0 BCAERO CN1CC[C@](O)(C[NH2+]CCc2ccccc2)C1 ZINC000702552602 712055048 /nfs/dbraw/zinc/05/50/48/712055048.db2.gz VOPHREXCXMWHMS-AWEZNQCLSA-N 1 0 234.343 0.885 10 0 BCAERO C[N@@H+]1CC[C@](O)(CNC(=O)N2CCCCC2)C1 ZINC000702640936 712058230 /nfs/dbraw/zinc/05/82/30/712058230.db2.gz KVKPPQTXLZJQOQ-LBPRGKRZSA-N 1 0 241.335 0.249 10 0 BCAERO CCCCCCC(=O)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000702813653 712061199 /nfs/dbraw/zinc/06/11/99/712061199.db2.gz IEWGCEVARTUUEE-QWRGUYRKSA-N 1 0 228.336 0.653 10 0 BCAERO COC(=O)/C(C)=C/C[N@@H+]1CC[C@@H](O)C[C@H]1C ZINC000705115891 712122545 /nfs/dbraw/zinc/12/25/45/712122545.db2.gz HFUUWIJRKCOAAX-MJMLHWTPSA-N 1 0 227.304 0.951 10 0 BCAERO C[C@@H]1COC[C@H]1[NH2+]CC1(O)CCSCC1 ZINC000705247792 712126036 /nfs/dbraw/zinc/12/60/36/712126036.db2.gz UMNNMPPQHGHSOL-NXEZZACHSA-N 1 0 231.361 0.869 10 0 BCAERO C[C@@H](O)[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC000705929954 712138362 /nfs/dbraw/zinc/13/83/62/712138362.db2.gz LLUZMAFWCZPPDE-WDEREUQCSA-N 1 0 240.347 0.748 10 0 BCAERO C[C@@H]1CN(Cc2cc(Cl)n(C)n2)C[C@@H]1[NH3+] ZINC000706123177 712140135 /nfs/dbraw/zinc/14/01/35/712140135.db2.gz GCAUSXRLJAUWAM-APPZFPTMSA-N 1 0 228.727 0.853 10 0 BCAERO Cc1noc(CN(C)C(=O)C2CC([NH3+])C2)n1 ZINC000706666503 712151146 /nfs/dbraw/zinc/15/11/46/712151146.db2.gz KYYLTHXOWUDZON-UHFFFAOYSA-N 1 0 224.264 0.074 10 0 BCAERO CSC1CC([NH2+][C@@H]2CCOC[C@@H]2O)C1 ZINC000706876618 712157822 /nfs/dbraw/zinc/15/78/22/712157822.db2.gz KGXWCZFVAKQFOU-BMNUFHGDSA-N 1 0 217.334 0.620 10 0 BCAERO [NH3+]C1CC(C(=O)N2CC[C@]3(CCOC3)C2)C1 ZINC000707211822 712167006 /nfs/dbraw/zinc/16/70/06/712167006.db2.gz GOKZEVOINJZESY-CBINBANVSA-N 1 0 224.304 0.363 10 0 BCAERO COC(=O)CCCCCNC(=O)C1CC([NH3+])C1 ZINC000707335892 712168810 /nfs/dbraw/zinc/16/88/10/712168810.db2.gz MSPHGABOTYQMBM-UHFFFAOYSA-N 1 0 242.319 0.573 10 0 BCAERO CCC[C@@](C)(NC(=O)C1CC([NH3+])C1)C(=O)OC ZINC000707384275 712169796 /nfs/dbraw/zinc/16/97/96/712169796.db2.gz TZTSCDVEEWDTDG-SHVIVCPWSA-N 1 0 242.319 0.572 10 0 BCAERO C[C@@H]1CN(c2ccnc(C(N)=O)c2)C[C@H]1C[NH3+] ZINC000708096859 712181483 /nfs/dbraw/zinc/18/14/83/712181483.db2.gz QAZZLSQPRJCHQF-RKDXNWHRSA-N 1 0 234.303 0.212 10 0 BCAERO C[C@@H]1C[N@H+](CCn2ccccc2=O)C[C@H]1CO ZINC000708641234 712195538 /nfs/dbraw/zinc/19/55/38/712195538.db2.gz JIHIKLSRSIWASO-NEPJUHHUSA-N 1 0 236.315 0.409 10 0 BCAERO C[C@@H]1C[N@H+](C[C@@H]2CCCN2C)C[C@H]1CO ZINC000708687705 712196815 /nfs/dbraw/zinc/19/68/15/712196815.db2.gz SKWCDCDRECVMTB-WOPDTQHZSA-N 1 0 212.337 0.641 10 0 BCAERO Cc1nonc1CN1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000708830072 712199875 /nfs/dbraw/zinc/19/98/75/712199875.db2.gz JTOQIAQOXUPFRK-APPZFPTMSA-N 1 0 210.281 0.405 10 0 BCAERO C[C@@H]1CN(C(=O)c2cccc(F)n2)C[C@@H]1C[NH3+] ZINC000708840812 712200520 /nfs/dbraw/zinc/20/05/20/712200520.db2.gz LSZUBKXRWGNBJN-BDAKNGLRSA-N 1 0 237.278 0.888 10 0 BCAERO C[C@@H]1CN(C(=O)c2ccc[nH]c2=O)C[C@H]1C[NH3+] ZINC000708848029 712200711 /nfs/dbraw/zinc/20/07/11/712200711.db2.gz HPCHHFIZJJXNSX-RKDXNWHRSA-N 1 0 235.287 0.454 10 0 BCAERO COC1(C(=O)N2C[C@H](C)[C@H](C[NH3+])C2)CCCC1 ZINC000708853510 712201634 /nfs/dbraw/zinc/20/16/34/712201634.db2.gz HXGPDKNCPXIMAY-WDEREUQCSA-N 1 0 240.347 0.999 10 0 BCAERO COC(=O)N1C[C@@H](OC)C[C@@]1(C)C[NH3+] ZINC000708999640 712205328 /nfs/dbraw/zinc/20/53/28/712205328.db2.gz RPJXLBLOUUYRNO-CBAPKCEASA-N 1 0 202.254 0.191 10 0 BCAERO C[N@H+](C[C@H]1CCC[C@H](O)C1)[C@@H]1COC[C@H]1O ZINC000709645890 712214826 /nfs/dbraw/zinc/21/48/26/712214826.db2.gz FERMDEQWPXRFFI-NNYUYHANSA-N 1 0 229.320 0.229 10 0 BCAERO O=C(CCC1C[NH2+]C1)NC[C@H](O)C(F)(F)F ZINC000709399284 712220837 /nfs/dbraw/zinc/22/08/37/712220837.db2.gz DTKQTYZMQVRVMR-ZETCQYMHSA-N 1 0 240.225 0.025 10 0 BCAERO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(c1nccn3cnnc13)C2 ZINC000709801512 712227317 /nfs/dbraw/zinc/22/73/17/712227317.db2.gz DLFQQCJGVBQAEY-AEJSXWLSSA-N 1 0 244.302 0.440 10 0 BCAERO C[C@H]1CN(C(=O)C23CC(C2)C[NH2+]3)C[C@H](C)O1 ZINC000709849224 712229320 /nfs/dbraw/zinc/22/93/20/712229320.db2.gz RKWAGZDQAITPJP-RKVXJDFWSA-N 1 0 224.304 0.374 10 0 BCAERO C[C@@H]1CN(C(=O)C23CC(C2)C[NH2+]3)C[C@@H](C)O1 ZINC000709849226 712229792 /nfs/dbraw/zinc/22/97/92/712229792.db2.gz RKWAGZDQAITPJP-XTQFYOIMSA-N 1 0 224.304 0.374 10 0 BCAERO C[C@H]([NH2+]C[C@@H]1CN(C)CCO1)c1cn(C)cn1 ZINC000709894872 712231463 /nfs/dbraw/zinc/23/14/63/712231463.db2.gz BDTNGPNHFBKULG-WDEREUQCSA-N 1 0 238.335 0.401 10 0 BCAERO [NH3+]Cc1nc2c(s1)CCN(c1ncccn1)C2 ZINC000710209777 712248272 /nfs/dbraw/zinc/24/82/72/712248272.db2.gz RJKBMQMNFFJJCG-UHFFFAOYSA-N 1 0 247.327 0.955 10 0 BCAERO CC1(C)C[NH2+]C[C@@H]1C(=O)N[C@@H]1CCCOC1 ZINC000711216018 712289656 /nfs/dbraw/zinc/28/96/56/712289656.db2.gz QSRZVEHASOLINF-NXEZZACHSA-N 1 0 226.320 0.527 10 0 BCAERO C[C@H](O)CCNC(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000711236514 712290607 /nfs/dbraw/zinc/29/06/07/712290607.db2.gz HLWVKGQHCFSYJZ-IUCAKERBSA-N 1 0 214.309 0.119 10 0 BCAERO C[C@@H]1COCCN1C(=O)[C@H]1C[NH2+]CC1(C)C ZINC000711237207 712290641 /nfs/dbraw/zinc/29/06/41/712290641.db2.gz KCPUJFQKCGXSKR-NXEZZACHSA-N 1 0 226.320 0.479 10 0 BCAERO CC(C)(C)OC(=O)NC1CC(C[NH2+]CCO)C1 ZINC000711401046 712297760 /nfs/dbraw/zinc/29/77/60/712297760.db2.gz NROYCHRVBPHALT-UHFFFAOYSA-N 1 0 244.335 0.872 10 0 BCAERO C(CN1CC[N@@H+]2CCC[C@H]2C1)OC1CC1 ZINC000711647789 712314187 /nfs/dbraw/zinc/31/41/87/712314187.db2.gz LEGJJWNDSFHDEO-NSHDSACASA-N 1 0 210.321 0.945 10 0 BCAERO CC[C@@](C)(O)C[N@@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000712253379 712342841 /nfs/dbraw/zinc/34/28/41/712342841.db2.gz AUGIRUPJYIVXGX-WHOHXGKFSA-N 1 0 213.321 0.850 10 0 BCAERO CCOCC(C)(C)[NH2+]C[C@@H]1CNC(=O)O1 ZINC000378761700 712361099 /nfs/dbraw/zinc/36/10/99/712361099.db2.gz BEFAHMKKNKNXJP-QMMMGPOBSA-N 1 0 216.281 0.500 10 0 BCAERO [NH3+]C[C@@H]1C[C@H](F)CN1C(=O)/C=C\C1CC1 ZINC000378789795 712361342 /nfs/dbraw/zinc/36/13/42/712361342.db2.gz MYYOTUOTSWOOIR-CMIOBCHKSA-N 1 0 212.268 0.850 10 0 BCAERO Cn1ncc(C[NH2+][C@@H]2C[C@H]2CO)c1Cl ZINC000378852398 712366364 /nfs/dbraw/zinc/36/63/64/712366364.db2.gz GWOJUWGVEOWNHQ-POYBYMJQSA-N 1 0 215.684 0.544 10 0 BCAERO OC[C@H]1COCCN1C[C@@H]1CCC2(CCC2)O1 ZINC000712493593 712431535 /nfs/dbraw/zinc/43/15/35/712431535.db2.gz CYINRPLPSPTJCB-RYUDHWBXSA-N 1 0 241.331 0.781 10 0 BCAERO CC(C)(O)C[NH2+]C[C@@H]1CC2(CO1)CCOCC2 ZINC000712656739 712440015 /nfs/dbraw/zinc/44/00/15/712440015.db2.gz HVWITNQZXLNXRD-NSHDSACASA-N 1 0 243.347 0.933 10 0 BCAERO COC(=O)CCN1CC[NH2+]CCC1(C)C ZINC000712525191 712441246 /nfs/dbraw/zinc/44/12/46/712441246.db2.gz UPMGFTUZYFQPCM-UHFFFAOYSA-N 1 0 214.309 0.623 10 0 BCAERO [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N[C@H]2CCC[C@@H](O)C2)C1 ZINC000713227302 712455599 /nfs/dbraw/zinc/45/55/99/712455599.db2.gz VKPDCZBMCBFFSX-VLLVSFFDSA-N 1 0 238.331 0.534 10 0 BCAERO C[C@@H]1OCC[C@@H]1NC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000713238672 712455613 /nfs/dbraw/zinc/45/56/13/712455613.db2.gz HDNOUEYSWFKYSV-SSSAOXCUSA-N 1 0 224.304 0.407 10 0 BCAERO [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N[C@@H]2CCCOC2)C1 ZINC000713238652 712455634 /nfs/dbraw/zinc/45/56/34/712455634.db2.gz GWOICSWFIDGXAO-BTQIBKBOSA-N 1 0 224.304 0.409 10 0 BCAERO CC(C)[C@H](C)NC(=O)[C@@H]1CO[C@H](C[NH3+])C1 ZINC000713766516 712471960 /nfs/dbraw/zinc/47/19/60/712471960.db2.gz IPUVQASWZZEGKE-GUBZILKMSA-N 1 0 214.309 0.511 10 0 BCAERO [NH3+]C[C@H]1C[C@H](C(=O)NCC(F)(F)F)CO1 ZINC000713890312 712472309 /nfs/dbraw/zinc/47/23/09/712472309.db2.gz XGBUYSDZVQPCJW-NTSWFWBYSA-N 1 0 226.198 0.029 10 0 BCAERO CSCCCNC(=O)[C@H]1CO[C@H](C[NH3+])C1 ZINC000713890363 712472335 /nfs/dbraw/zinc/47/23/35/712472335.db2.gz YBPIZUDBWNTEMO-BDAKNGLRSA-N 1 0 232.349 0.220 10 0 BCAERO C[C@H](NC(=O)[C@@H]1CO[C@@H](C[NH3+])C1)[C@@H]1CCCO1 ZINC000713797942 712472437 /nfs/dbraw/zinc/47/24/37/712472437.db2.gz WPNLXWCOTPVXLB-MMWGEVLESA-N 1 0 242.319 0.034 10 0 BCAERO [NH3+]C[C@@H]1C[C@@H](C(=O)Nc2ccccc2)CO1 ZINC000713890789 712472456 /nfs/dbraw/zinc/47/24/56/712472456.db2.gz ZFVDBUSGNCNZEP-KOLCDFICSA-N 1 0 220.272 0.989 10 0 BCAERO [NH3+]C[C@H]1C[C@@H](C(=O)NCC(F)(F)F)CO1 ZINC000713890313 712472498 /nfs/dbraw/zinc/47/24/98/712472498.db2.gz XGBUYSDZVQPCJW-PHDIDXHHSA-N 1 0 226.198 0.029 10 0 BCAERO CSCCCNC(=O)[C@@H]1CO[C@H](C[NH3+])C1 ZINC000713777102 712472525 /nfs/dbraw/zinc/47/25/25/712472525.db2.gz YBPIZUDBWNTEMO-IUCAKERBSA-N 1 0 232.349 0.220 10 0 BCAERO [NH3+]C[C@H]1C[C@H](C(=O)NC2CCCCC2)CO1 ZINC000713824835 712472904 /nfs/dbraw/zinc/47/29/04/712472904.db2.gz SLWKFSPJOLGCOE-GXSJLCMTSA-N 1 0 226.320 0.799 10 0 BCAERO [NH3+]C[C@@H]1C[C@H](C(=O)NC2CCCCC2)CO1 ZINC000713824854 712472943 /nfs/dbraw/zinc/47/29/43/712472943.db2.gz SLWKFSPJOLGCOE-ONGXEEELSA-N 1 0 226.320 0.799 10 0 BCAERO [NH3+]C[C@@H]1C[C@@H](C(=O)NC2CCCCC2)CO1 ZINC000713824840 712472988 /nfs/dbraw/zinc/47/29/88/712472988.db2.gz SLWKFSPJOLGCOE-KOLCDFICSA-N 1 0 226.320 0.799 10 0 BCAERO [NH3+]C[C@H]1C[C@@H](C(=O)NCCC(F)(F)F)CO1 ZINC000713902504 712472989 /nfs/dbraw/zinc/47/29/89/712472989.db2.gz PEXIJMAXIXCBPO-RNFRBKRXSA-N 1 0 240.225 0.419 10 0 BCAERO CC(C)CN(C(=O)[C@@H]1CO[C@H](C[NH3+])C1)C1CC1 ZINC000713820672 712473031 /nfs/dbraw/zinc/47/30/31/712473031.db2.gz IZERTKLIGXDLMY-JQWIXIFHSA-N 1 0 240.347 0.997 10 0 BCAERO CCCN(C)C(=O)[C@@H]1CO[C@H](C[NH3+])C1 ZINC000713837618 712473293 /nfs/dbraw/zinc/47/32/93/712473293.db2.gz NZXOWIRQIUQERK-IUCAKERBSA-N 1 0 200.282 0.219 10 0 BCAERO CC[C@H](C)NC(=O)[C@H]1CO[C@@H](C[NH3+])C1 ZINC000713837071 712473390 /nfs/dbraw/zinc/47/33/90/712473390.db2.gz LKVYITXTYBSBGN-DJLDLDEBSA-N 1 0 200.282 0.265 10 0 BCAERO CC(C)CCCNC(=O)[C@H]1CO[C@@H](C[NH3+])C1 ZINC000713872138 712473421 /nfs/dbraw/zinc/47/34/21/712473421.db2.gz MZJRMPBDJMKKSA-GHMZBOCLSA-N 1 0 228.336 0.903 10 0 BCAERO CCOC[C@@H](O)C[NH2+]C1CC(COC)C1 ZINC000713972901 712475568 /nfs/dbraw/zinc/47/55/68/712475568.db2.gz QJTRMFQLQLZOQG-ILDUYXDCSA-N 1 0 217.309 0.398 10 0 BCAERO COCC1CC(NC(=O)CC2([NH3+])CC2)C1 ZINC000713984586 712476260 /nfs/dbraw/zinc/47/62/60/712476260.db2.gz UNVZLSUVQURFSO-UHFFFAOYSA-N 1 0 212.293 0.409 10 0 BCAERO CC[C@@H]([NH2+]C)C(=O)NC1CC(COC)C1 ZINC000713983637 712476279 /nfs/dbraw/zinc/47/62/79/712476279.db2.gz QIPSVBDJNJGJOQ-UDNWOFFPSA-N 1 0 214.309 0.526 10 0 BCAERO [NH3+]C[C@@H]1C[C@H](c2nc(-c3cccnc3)no2)CO1 ZINC000714062236 712478021 /nfs/dbraw/zinc/47/80/21/712478021.db2.gz DQGNJHLSSFMDKY-UWVGGRQHSA-N 1 0 246.270 0.963 10 0 BCAERO [NH3+]C[C@H]1C[C@H](c2nc(-c3ccncc3)no2)CO1 ZINC000714063382 712478028 /nfs/dbraw/zinc/47/80/28/712478028.db2.gz JZBXXWJCNMBXFY-VHSXEESVSA-N 1 0 246.270 0.963 10 0 BCAERO CCCn1cc(CN[C@H]2CC[N@H+](CC)C2)nn1 ZINC000714447112 712489882 /nfs/dbraw/zinc/48/98/82/712489882.db2.gz MWJBZZCQNGISKJ-NSHDSACASA-N 1 0 237.351 0.872 10 0 BCAERO CCCn1cc(C[NH2+][C@@H]2CCO[C@@H]2C)nn1 ZINC000714479899 712491871 /nfs/dbraw/zinc/49/18/71/712491871.db2.gz WDHSRSXXHKMTQP-MWLCHTKSSA-N 1 0 224.308 0.955 10 0 BCAERO c1cnc(-c2noc([C@H]3CCC[NH2+]C3)n2)nc1 ZINC000036814711 712501033 /nfs/dbraw/zinc/50/10/33/712501033.db2.gz MLDBFGXYMPKFBW-QMMMGPOBSA-N 1 0 231.259 0.994 10 0 BCAERO C[C@H]1CN(S(=O)(=O)CCCC2CC2)C[C@@H]1[NH3+] ZINC000715046979 712504457 /nfs/dbraw/zinc/50/44/57/712504457.db2.gz BEWLNJSUINIEHG-ONGXEEELSA-N 1 0 246.376 0.785 10 0 BCAERO C[NH2+][C@@H](C)CNS(=O)(=O)CCCC1CC1 ZINC000715048359 712504518 /nfs/dbraw/zinc/50/45/18/712504518.db2.gz JESNHYRNQRZPBM-VIFPVBQESA-N 1 0 234.365 0.704 10 0 BCAERO Cn1cccc1C(=O)NCC1CC([NH3+])C1 ZINC000715083565 712507629 /nfs/dbraw/zinc/50/76/29/712507629.db2.gz WSUHVTVXRBRRJJ-UHFFFAOYSA-N 1 0 207.277 0.492 10 0 BCAERO [NH3+]C1CC(CNC(=O)c2ccc3n[nH]nc3c2)C1 ZINC000715084805 712507649 /nfs/dbraw/zinc/50/76/49/712507649.db2.gz BJOFHQROHZLBLV-UHFFFAOYSA-N 1 0 245.286 0.425 10 0 BCAERO [NH3+][C@H]1C[C@H](CNc2ccc3nccnc3n2)C1 ZINC000715086913 712507704 /nfs/dbraw/zinc/50/77/04/712507704.db2.gz ZTPUVUPYRUKJML-KYZUINATSA-N 1 0 229.287 0.548 10 0 BCAERO C[C@H]1COCCN1C(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000715090833 712508188 /nfs/dbraw/zinc/50/81/88/712508188.db2.gz NDHVNZYXQLDSKH-FXQIFTODSA-N 1 0 234.246 0.074 10 0 BCAERO CCc1nnsc1C(=O)NCC1CC([NH3+])C1 ZINC000715090738 712508192 /nfs/dbraw/zinc/50/81/92/712508192.db2.gz BEJXHALYUPZQRD-UHFFFAOYSA-N 1 0 240.332 0.568 10 0 BCAERO Cc1nnc(NC[C@H]2C[C@@H]([NH3+])C2)nc1C ZINC000715121767 712510490 /nfs/dbraw/zinc/51/04/90/712510490.db2.gz FQJQQTNSGPNIES-DTORHVGOSA-N 1 0 207.281 0.638 10 0 BCAERO Cc1nocc1C(=O)NCC1CC([NH3+])C1 ZINC000715140545 712511425 /nfs/dbraw/zinc/51/14/25/712511425.db2.gz FRMYDNWAGNYAGQ-UHFFFAOYSA-N 1 0 209.249 0.450 10 0 BCAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]C[C@H]1COC(C)(C)O1 ZINC000715150630 712512538 /nfs/dbraw/zinc/51/25/38/712512538.db2.gz JNHZTIQEZSICEQ-LPEHRKFASA-N 1 0 242.319 0.395 10 0 BCAERO [NH3+]C[C@@H]1C[C@@H]1C(=O)NCC[C@@H]1CCCO1 ZINC000715225830 712513986 /nfs/dbraw/zinc/51/39/86/712513986.db2.gz HOHXHDMSMGKEOV-GUBZILKMSA-N 1 0 212.293 0.267 10 0 BCAERO CC(C)N(C)C(=O)[C@]12C[NH2+]C[C@H]1COCC2 ZINC000715436045 712518927 /nfs/dbraw/zinc/51/89/27/712518927.db2.gz MVBPACCVAWNASN-CMPLNLGQSA-N 1 0 226.320 0.479 10 0 BCAERO CC(C)NC(=O)[C@]12C[NH2+]C[C@H]1COCC2 ZINC000715424894 712518930 /nfs/dbraw/zinc/51/89/30/712518930.db2.gz RAJPIBLEJBTGKL-GXSJLCMTSA-N 1 0 212.293 0.137 10 0 BCAERO CO[C@H]1CN(Cc2n[nH]cc2C)[C@](C)(C[NH3+])C1 ZINC000715447009 712519352 /nfs/dbraw/zinc/51/93/52/712519352.db2.gz PZRGYJWJJVTDQB-PWSUYJOCSA-N 1 0 238.335 0.656 10 0 BCAERO CC(C)CN(C)C(=O)[C@]12C[NH2+]C[C@H]1COCC2 ZINC000715459247 712519669 /nfs/dbraw/zinc/51/96/69/712519669.db2.gz GFKNUCLKHPLYEJ-WCQYABFASA-N 1 0 240.347 0.727 10 0 BCAERO O=C(N[C@H]1CCC[C@@H](O)C1)C12CC[NH+](CC1)C2 ZINC000715871440 712538114 /nfs/dbraw/zinc/53/81/14/712538114.db2.gz QIXVCTMFVIOWED-WDEREUQCSA-N 1 0 238.331 0.502 10 0 BCAERO COC(=O)CCC[NH2+][C@H](C)c1cn(C)nn1 ZINC000715874776 712538154 /nfs/dbraw/zinc/53/81/54/712538154.db2.gz FTPQLRVKKALYCL-MRVPVSSYSA-N 1 0 226.280 0.419 10 0 BCAERO COC1CC([NH2+]C2CC(S(C)(=O)=O)C2)C1 ZINC000716058969 712549393 /nfs/dbraw/zinc/54/93/93/712549393.db2.gz CMOQPHDGRDJJEZ-UHFFFAOYSA-N 1 0 233.333 0.329 10 0 BCAERO NC(=O)C1CC([NH2+][C@H]2CCCSC2)C1 ZINC000716732448 712571634 /nfs/dbraw/zinc/57/16/34/712571634.db2.gz STSBGMYRYSGBOU-MGURRDGZSA-N 1 0 214.334 0.736 10 0 BCAERO NC(=O)C1CC(NC(=O)c2ccc(C[NH3+])cc2)C1 ZINC000716706106 712570181 /nfs/dbraw/zinc/57/01/81/712570181.db2.gz MIDNEWVTFQLCKN-UHFFFAOYSA-N 1 0 247.298 0.139 10 0 BCAERO NC(=O)C1CC([NH2+]Cc2cncs2)C1 ZINC000716731318 712571171 /nfs/dbraw/zinc/57/11/71/712571171.db2.gz KVBDIZNZPBQMQN-UHFFFAOYSA-N 1 0 211.290 0.497 10 0 BCAERO C=Cn1cc(C[NH2+]C2CC(C(N)=O)C2)cn1 ZINC000716756224 712572331 /nfs/dbraw/zinc/57/23/31/712572331.db2.gz XSMQNEXZTIKJAP-UHFFFAOYSA-N 1 0 220.276 0.337 10 0 BCAERO CCCCOC[C@H](O)C[NH2+]C1CC(C(N)=O)C1 ZINC000716768919 712572902 /nfs/dbraw/zinc/57/29/02/712572902.db2.gz HWGMSQNYJOWGKB-VQXHTEKXSA-N 1 0 244.335 0.018 10 0 BCAERO COc1ncc(C[NH2+]C2CC(C(N)=O)C2)s1 ZINC000716768834 712572959 /nfs/dbraw/zinc/57/29/59/712572959.db2.gz FPSJNSFCGGCMHG-UHFFFAOYSA-N 1 0 241.316 0.505 10 0 BCAERO C[C@H](O)[C@@H](O)C[NH2+][C@@H]1CCc2c1cccc2O ZINC000717389647 712653623 /nfs/dbraw/zinc/65/36/23/712653623.db2.gz YHGOCEVQMAPKDR-KDDOJWQBSA-N 1 0 237.299 0.711 10 0 BCAERO [NH3+]C1CC(C(=O)N[C@@H](CO)C2CCC2)C1 ZINC000717615564 712662540 /nfs/dbraw/zinc/66/25/40/712662540.db2.gz AHCFCIFJMXZHHJ-RTBKNWGFSA-N 1 0 212.293 0.001 10 0 BCAERO C[C@@H]1CC[C@H]1[NH2+][C@H]1CCc2ncnn2C1 ZINC000380075055 712684894 /nfs/dbraw/zinc/68/48/94/712684894.db2.gz FDQGXXNVGHPMMO-KXUCPTDWSA-N 1 0 206.293 0.981 10 0 BCAERO [NH3+]C1CC(CC(=O)N[C@H]2CCC[C@H](O)C2)C1 ZINC000718049735 712738770 /nfs/dbraw/zinc/73/87/70/712738770.db2.gz IIYXWIXGPFJRAU-TVUZUIDESA-N 1 0 226.320 0.534 10 0 BCAERO C[C@@H]1CO[C@H](C(=O)N2CCCC[C@H]2C[NH3+])C1 ZINC000718382204 712758129 /nfs/dbraw/zinc/75/81/29/712758129.db2.gz DFRRNTRAGVZKPO-DCAQKATOSA-N 1 0 226.320 0.751 10 0 BCAERO Cc1coc(C(=O)N2CCO[C@@H]3C[NH2+]C[C@@H]32)c1 ZINC000718519160 712768349 /nfs/dbraw/zinc/76/83/49/712768349.db2.gz MLDRKSHWQPMVNC-GXSJLCMTSA-N 1 0 236.271 0.401 10 0 BCAERO CC(C)OC[C@H](O)C[NH2+]C(C)(C)CO ZINC000037888227 712780655 /nfs/dbraw/zinc/78/06/55/712780655.db2.gz BARJZMZOWYYYFV-SECBINFHSA-N 1 0 205.298 0.133 10 0 BCAERO CC(C)(C)OC[C@H](O)C[NH2+]C(C)(C)CO ZINC000037888177 712780706 /nfs/dbraw/zinc/78/07/06/712780706.db2.gz JPFZVCATFSASPR-SECBINFHSA-N 1 0 219.325 0.523 10 0 BCAERO COCC(C)(C)CCNC(=O)[C@@H]1CC[NH2+]C1 ZINC000718936042 712789025 /nfs/dbraw/zinc/78/90/25/712789025.db2.gz VJUYTXVBOFBTML-SNVBAGLBSA-N 1 0 228.336 0.775 10 0 BCAERO CCC[C@H]([NH3+])C(=O)NCc1ccnc(C)n1 ZINC000038038171 712800857 /nfs/dbraw/zinc/80/08/57/712800857.db2.gz SBHOEVMXUGQBSB-JTQLQIEISA-N 1 0 222.292 0.529 10 0 BCAERO C[C@@H](NC(=O)c1c(C[NH3+])cnn1C)C1CC1 ZINC000719257723 712802225 /nfs/dbraw/zinc/80/22/25/712802225.db2.gz VAQHNWDUMUGKMZ-SSDOTTSWSA-N 1 0 222.292 0.407 10 0 BCAERO Cc1c(C[NH2+][C@H]2CCN(C)[C@H]2C)cnn1C ZINC000719576638 712811852 /nfs/dbraw/zinc/81/18/52/712811852.db2.gz AHDJCPNPFGYMMQ-JQWIXIFHSA-N 1 0 222.336 0.911 10 0 BCAERO OC[C@@H]1C[C@H](O)C[N@@H+]1CCc1ccns1 ZINC000719881678 712826033 /nfs/dbraw/zinc/82/60/33/712826033.db2.gz WLFSENYXNUUZFE-IUCAKERBSA-N 1 0 228.317 0.113 10 0 BCAERO C[C@H](C[C@@H]1CCC[NH2+]1)N[C@H](C)c1cn(C)nn1 ZINC000720592625 712855632 /nfs/dbraw/zinc/85/56/32/712855632.db2.gz XYQYMRKJODWDNZ-MXWKQRLJSA-N 1 0 237.351 0.996 10 0 BCAERO C[C@H](N[C@@H](C)[C@H]1CCC[NH2+]C1)c1cn(C)nn1 ZINC000720606244 712858065 /nfs/dbraw/zinc/85/80/65/712858065.db2.gz KEZFSFYFCCEEPO-DCAQKATOSA-N 1 0 237.351 0.854 10 0 BCAERO CCCCOC[C@H](O)CN1C[C@@H]([NH3+])C(C)(C)C1 ZINC000720803520 712866794 /nfs/dbraw/zinc/86/67/94/712866794.db2.gz HQHXCOVEUPASQW-VXGBXAGGSA-N 1 0 244.379 0.833 10 0 BCAERO CCCCOC[C@H](O)CN1C[C@H]([NH3+])C(C)(C)C1 ZINC000720803516 712866803 /nfs/dbraw/zinc/86/68/03/712866803.db2.gz HQHXCOVEUPASQW-NEPJUHHUSA-N 1 0 244.379 0.833 10 0 BCAERO CCCCOC[C@@H](O)CN1C[C@@H]([NH3+])C(C)(C)C1 ZINC000720803517 712866814 /nfs/dbraw/zinc/86/68/14/712866814.db2.gz HQHXCOVEUPASQW-NWDGAFQWSA-N 1 0 244.379 0.833 10 0 BCAERO C[C@@H]1CN(C(=O)[C@@H]2[C@@H]3CC[NH2+]C[C@@H]32)C[C@H](C)O1 ZINC000721025019 712887185 /nfs/dbraw/zinc/88/71/85/712887185.db2.gz RCKMFKRCYDIQES-CSYMLDBXSA-N 1 0 238.331 0.478 10 0 BCAERO CC[N@@H+]1CC[C@H](N)[C@]12CN1CCC2CC1 ZINC000685955261 538900471 /nfs/dbraw/zinc/90/04/71/538900471.db2.gz WYUSERNHGQMRDE-NWDGAFQWSA-N 1 0 209.337 0.504 10 0 BCAERO CNCC(F)(F)CO[C@H]1CC[N@H+](C)C1 ZINC000685956942 538900560 /nfs/dbraw/zinc/90/05/60/538900560.db2.gz MYLJIDSTIHRJOB-QMMMGPOBSA-N 1 0 208.252 0.562 10 0 BCAERO CC(C)N1CC[C@@H]([NH3+])C12CCS(=O)(=O)CC2 ZINC000685955377 538900910 /nfs/dbraw/zinc/90/09/10/538900910.db2.gz YQTFPWLGKVPSCC-SNVBAGLBSA-N 1 0 246.376 0.375 10 0 BCAERO CCOC(=O)C(F)(F)CSCC[NH3+] ZINC000685955659 538901093 /nfs/dbraw/zinc/90/10/93/538901093.db2.gz NGNSUXQUEOFOTO-UHFFFAOYSA-N 1 0 213.249 0.877 10 0 BCAERO C[C@@H]1COC[C@H]1N(C)CC(F)(F)CN ZINC000685957033 538903658 /nfs/dbraw/zinc/90/36/58/538903658.db2.gz KSGKZLFQBLPISJ-HTQZYQBOSA-N 1 0 208.252 0.547 10 0 BCAERO C[C@@H]1COC[C@@H]1N(C)CC(F)(F)CN ZINC000685957035 538903908 /nfs/dbraw/zinc/90/39/08/538903908.db2.gz KSGKZLFQBLPISJ-SFYZADRCSA-N 1 0 208.252 0.547 10 0 BCAERO COCC[NH2+]CC[C@H](CO)[C@@H]1CCCOC1 ZINC000685960794 538908283 /nfs/dbraw/zinc/90/82/83/538908283.db2.gz CLBSLSUOQRLYBV-VXGBXAGGSA-N 1 0 231.336 0.648 10 0 BCAERO C[NH2+]CC[C@@H](CO)[C@@H]1COC(C)(C)O1 ZINC000685963304 538909665 /nfs/dbraw/zinc/90/96/65/538909665.db2.gz LQIGMTYRKAGTKT-IUCAKERBSA-N 1 0 203.282 0.356 10 0 BCAERO CCOC(=O)c1n[nH]nc1[C@@H]1CCC[NH2+]C1 ZINC000685953086 538896667 /nfs/dbraw/zinc/89/66/67/538896667.db2.gz FVFZQBMTJCOILI-SSDOTTSWSA-N 1 0 224.264 0.448 10 0 BCAERO CCS(=O)(=O)[C@@H]1CC[C@H]([NH3+])C[C@@H]1C ZINC000685953045 538896938 /nfs/dbraw/zinc/89/69/38/538896938.db2.gz FRDLDJMGXSOUMP-XHNCKOQMSA-N 1 0 205.323 0.937 10 0 BCAERO COCC1(NC(=O)C2CCC([NH3+])CC2)CC1 ZINC000648090586 490105944 /nfs/dbraw/zinc/10/59/44/490105944.db2.gz DANAATZBZNFUPP-UHFFFAOYSA-N 1 0 226.320 0.799 10 0 BCAERO COc1ccc(NC(=O)[C@H]2CC[NH2+]C2)cc1O ZINC000062113968 349438011 /nfs/dbraw/zinc/43/80/11/349438011.db2.gz RDPORXFNPKVUOB-QMMMGPOBSA-N 1 0 236.271 0.949 10 0 BCAERO O=C(N[C@@H]1CCCC[C@H]1O)[C@@H]1CC[NH2+]C1 ZINC000062116831 349438440 /nfs/dbraw/zinc/43/84/40/349438440.db2.gz WPJNNSPJQCWZSR-OPRDCNLKSA-N 1 0 212.293 0.016 10 0 BCAERO CCC[NH2+]CC[C@H](CO)[C@@H]1CCS(=O)(=O)C1 ZINC000685963839 538910754 /nfs/dbraw/zinc/91/07/54/538910754.db2.gz YGOBUPJPXYYHTP-GHMZBOCLSA-N 1 0 249.376 0.419 10 0 BCAERO CCC[NH2+]CC[C@@H](CO)[C@@H]1CCS(=O)(=O)C1 ZINC000685963843 538910826 /nfs/dbraw/zinc/91/08/26/538910826.db2.gz YGOBUPJPXYYHTP-WDEREUQCSA-N 1 0 249.376 0.419 10 0 BCAERO Nc1cn(CC(=O)NC2CCCC2)cn1 ZINC000685964211 538911189 /nfs/dbraw/zinc/91/11/89/538911189.db2.gz OQFLGHPGGHKMOH-UHFFFAOYSA-N 1 0 208.265 0.524 10 0 BCAERO CCC(CC)(C[NH3+])C(=O)N1CC[C@H](O)C1 ZINC000061711035 168321954 /nfs/dbraw/zinc/32/19/54/168321954.db2.gz FIHBMIONINCVNN-VIFPVBQESA-N 1 0 214.309 0.345 10 0 BCAERO CN1CCN(C)[C@@H](C[NH2+]C[C@H](O)C(C)(C)C)C1 ZINC000383747806 349468165 /nfs/dbraw/zinc/46/81/65/349468165.db2.gz DIVQHAMZLPTZDP-RYUDHWBXSA-N 1 0 243.395 0.229 10 0 BCAERO CCCCNC(=O)C[N@@H+]1CC[C@H](CCO)C1 ZINC000161606418 349484616 /nfs/dbraw/zinc/48/46/16/349484616.db2.gz OORMQXCFLGWRNH-LLVKDONJSA-N 1 0 228.336 0.607 10 0 BCAERO Cn1ncc(CC(=O)[C@H]2CC[C@H]([NH3+])C2)n1 ZINC000307377241 398144515 /nfs/dbraw/zinc/14/45/15/398144515.db2.gz WMMNHMXUKGYLKB-YUMQZZPRSA-N 1 0 208.265 0.054 10 0 BCAERO C[C@H](C(=O)NC1CC1)[N@@H+]1CC[C@H](CCO)C1 ZINC000161609423 349485344 /nfs/dbraw/zinc/48/53/44/349485344.db2.gz SZSGFKOZJWVXSC-NXEZZACHSA-N 1 0 226.320 0.358 10 0 BCAERO CN(CCC[NH3+])c1ccnc2c1cnn2C ZINC000257747001 349483052 /nfs/dbraw/zinc/48/30/52/349483052.db2.gz FQSGGCNAVKPZCM-UHFFFAOYSA-N 1 0 219.292 0.753 10 0 BCAERO C[C@@]1(C(=O)N2C[C@@H]3C[C@@H]3C2)CCCC[NH2+]1 ZINC000379552388 398153702 /nfs/dbraw/zinc/15/37/02/398153702.db2.gz DBRLSNUNIRFREE-UMNHJUIQSA-N 1 0 208.305 0.997 10 0 BCAERO Cc1cc(CNC(=O)[C@H]2CCC[NH2+][C@@H]2C)on1 ZINC000335596308 178016073 /nfs/dbraw/zinc/01/60/73/178016073.db2.gz KQHXUQJYDFEVTL-KOLCDFICSA-N 1 0 237.303 0.987 10 0 BCAERO Cc1cc(C[NH2+]C2CCS(=O)CC2)no1 ZINC000044693389 178018684 /nfs/dbraw/zinc/01/86/84/178018684.db2.gz DXMJTZRHKDFJQD-UHFFFAOYSA-N 1 0 228.317 0.984 10 0 BCAERO CC1(C[NH2+][C@H]2CN3CC[C@H]2C3)OCCO1 ZINC000307396442 398158411 /nfs/dbraw/zinc/15/84/11/398158411.db2.gz OVJCNNFFDYVGJO-UWVGGRQHSA-N 1 0 212.293 0.043 10 0 BCAERO Cc1cc(C[NH2+][C@@H]2CCC(=O)N[C@H]2C)on1 ZINC000282202829 178033154 /nfs/dbraw/zinc/03/31/54/178033154.db2.gz CSKQYOTUGKZBGG-WCBMZHEXSA-N 1 0 223.276 0.740 10 0 BCAERO C[C@H]1CN(Cc2ccc(N)nc2)C[C@H]1[NH3+] ZINC000390451320 398173797 /nfs/dbraw/zinc/17/37/97/398173797.db2.gz ZQJTUIMHLQPNOX-WCBMZHEXSA-N 1 0 206.293 0.273 10 0 BCAERO C[C@@H](O)C1CCN([C@H](C)[C@H](C)[NH3+])CC1 ZINC000307511898 398173967 /nfs/dbraw/zinc/17/39/67/398173967.db2.gz LXEQDSOWDMSERX-IVZWLZJFSA-N 1 0 200.326 0.815 10 0 BCAERO OC[C@@H]1CCC[N@@H+]1C[C@@H]1CCC[C@@H](O)C1 ZINC000379891711 398175155 /nfs/dbraw/zinc/17/51/55/398175155.db2.gz AVLVWBPIGZBHSX-GRYCIOLGSA-N 1 0 213.321 0.994 10 0 BCAERO COc1cccc([C@H](CO)[NH2+]C[C@@H](C)O)c1 ZINC000390485663 398175888 /nfs/dbraw/zinc/17/58/88/398175888.db2.gz OONBBLKQODTTLI-SKDRFNHKSA-N 1 0 225.288 0.699 10 0 BCAERO Cc1nc[nH]c1CNC(=O)[C@H]([NH3+])CC(C)C ZINC000379970121 398177213 /nfs/dbraw/zinc/17/72/13/398177213.db2.gz LHQDFPDNVQKJLV-SECBINFHSA-N 1 0 224.308 0.708 10 0 BCAERO [NH3+]C1(C[N-]C(=O)C(F)(F)F)CCOCC1 ZINC000575517719 398177299 /nfs/dbraw/zinc/17/72/99/398177299.db2.gz IAMRCSYAAJMADT-UHFFFAOYSA-N 1 0 226.198 0.173 10 0 BCAERO COC[C@H](C)CC(=O)N1CC[C@@H]([NH3+])[C@@H]1C ZINC000379993503 398179826 /nfs/dbraw/zinc/17/98/26/398179826.db2.gz YWSSGAKTLQHYHZ-KXUCPTDWSA-N 1 0 214.309 0.607 10 0 BCAERO COC[C@H](NC(=O)[C@@H]1C[NH2+]CCOC1)C(C)C ZINC000643712628 398180445 /nfs/dbraw/zinc/18/04/45/398180445.db2.gz YAPSYQMGXHVUQG-MNOVXSKESA-N 1 0 244.335 0.010 10 0 BCAERO COC[C@H](NC(=O)[C@H]1C[NH2+]CCOC1)C(C)C ZINC000643712629 398180506 /nfs/dbraw/zinc/18/05/06/398180506.db2.gz YAPSYQMGXHVUQG-QWRGUYRKSA-N 1 0 244.335 0.010 10 0 BCAERO CC[N@@H+]1CCC[C@@H](NC(=O)C2(O)CCCC2)C1 ZINC000194666037 398160153 /nfs/dbraw/zinc/16/01/53/398160153.db2.gz WUUBCPTTXYBHHP-LLVKDONJSA-N 1 0 240.347 0.892 10 0 BCAERO [NH3+]C1(C(=O)N2CCCC[C@H](F)C2)CC1 ZINC000307397293 398160500 /nfs/dbraw/zinc/16/05/00/398160500.db2.gz QRXOKFDDYSHHJE-QMMMGPOBSA-N 1 0 200.257 0.828 10 0 BCAERO [NH3+]C1(C(=O)N2CCCC[C@@H](F)C2)CC1 ZINC000307397292 398160803 /nfs/dbraw/zinc/16/08/03/398160803.db2.gz QRXOKFDDYSHHJE-MRVPVSSYSA-N 1 0 200.257 0.828 10 0 BCAERO [NH3+]C1CN([S@@](=O)C2CCCCC2)C1 ZINC000307402196 398163605 /nfs/dbraw/zinc/16/36/05/398163605.db2.gz BBIBLMXZCUSGDW-ZDUSSCGKSA-N 1 0 202.323 0.626 10 0 BCAERO Cc1cc(Cl)nc(N2CC[C@H]([NH3+])C2)n1 ZINC000095068905 178071986 /nfs/dbraw/zinc/07/19/86/178071986.db2.gz MCLOMIJKHQCZFF-ZETCQYMHSA-N 1 0 212.684 0.976 10 0 BCAERO Cc1cc(F)ccc1NS(=O)(=O)CC[NH3+] ZINC000022167346 178090588 /nfs/dbraw/zinc/09/05/88/178090588.db2.gz MHDLMLZXILCRMX-UHFFFAOYSA-N 1 0 232.280 0.835 10 0 BCAERO Cc1cc(N(C)[C@H](C)CC[NH3+])n2ncnc2n1 ZINC000063086518 178100138 /nfs/dbraw/zinc/10/01/38/178100138.db2.gz OYVCMRSHHVWAFX-SECBINFHSA-N 1 0 234.307 0.606 10 0 BCAERO C[C@@H](NC[C@@H]1CCC[N@@H+]1C)c1nncn1C ZINC000386218907 398200005 /nfs/dbraw/zinc/20/00/05/398200005.db2.gz JIRIUVZSMYCNBU-ZJUUUORDSA-N 1 0 223.324 0.560 10 0 BCAERO Cc1cc(N2CCCN(CC[NH3+])CC2)ncn1 ZINC000040726874 178115218 /nfs/dbraw/zinc/11/52/18/178115218.db2.gz BYNMBKLSIQSEAS-UHFFFAOYSA-N 1 0 235.335 0.256 10 0 BCAERO Cc1cc(N2CC[C@@H]([NH3+])C2)nc(Cl)n1 ZINC000073734834 178118470 /nfs/dbraw/zinc/11/84/70/178118470.db2.gz BNZHEPASHSUPEJ-SSDOTTSWSA-N 1 0 212.684 0.976 10 0 BCAERO Cc1cc(C)n(CCN2C[C@@H](C)[C@@H]([NH3+])C2)n1 ZINC000386764447 398219769 /nfs/dbraw/zinc/21/97/69/398219769.db2.gz JCYNYOAKEMXYOP-SKDRFNHKSA-N 1 0 222.336 0.779 10 0 BCAERO Cc1ccc(C(=O)N2CCO[C@@H]3C[NH2+]C[C@@H]32)o1 ZINC000576339031 365569531 /nfs/dbraw/zinc/56/95/31/365569531.db2.gz AHDWDVSDDHFVDL-GXSJLCMTSA-N 1 0 236.271 0.401 10 0 BCAERO CN(Cc1cccs1)[C@H]1C[NH2+]C[C@@H]1O ZINC000082524389 136221649 /nfs/dbraw/zinc/22/16/49/136221649.db2.gz QYDQULXTZPZZBJ-UWVGGRQHSA-N 1 0 212.318 0.513 10 0 BCAERO Cc1cc(NC(=O)[C@H](C)N2CC[NH2+]CC2)no1 ZINC000034958650 178146999 /nfs/dbraw/zinc/14/69/99/178146999.db2.gz CJKUHCZSSZXCSV-VIFPVBQESA-N 1 0 238.291 0.215 10 0 BCAERO COC[C@H](C)C[NH2+][C@@H]1CCCNC1=O ZINC000163331583 538927835 /nfs/dbraw/zinc/92/78/35/538927835.db2.gz SHSNCXVZKHPUPM-RKDXNWHRSA-N 1 0 200.282 0.137 10 0 BCAERO C[C@@H]1OCC[C@H]1[S@](=O)C1CC[NH2+]CC1 ZINC000306578944 398213262 /nfs/dbraw/zinc/21/32/62/398213262.db2.gz MWFPFCXOPMUELO-LLHLLMPMSA-N 1 0 217.334 0.665 10 0 BCAERO [NH3+]C[C@@H]1CCCN1CC(=O)NCC(F)(F)F ZINC000082595423 136221725 /nfs/dbraw/zinc/22/17/25/136221725.db2.gz YCRXFCCSRCBIEY-ZETCQYMHSA-N 1 0 239.241 0.088 10 0 BCAERO Cc1cc(NC[C@H]2C[NH2+]CCO2)nc(C)n1 ZINC000227786924 178169881 /nfs/dbraw/zinc/16/98/81/178169881.db2.gz ZUFBEMVTNQFXJS-SNVBAGLBSA-N 1 0 222.292 0.494 10 0 BCAERO C[C@@H]1CN(c2nccn3cnnc23)C[C@@]1(C)C[NH3+] ZINC000381121825 343986630 /nfs/dbraw/zinc/98/66/30/343986630.db2.gz BWESCFRJBSTIDU-BXKDBHETSA-N 1 0 246.318 0.545 10 0 BCAERO COCC[NH2+]CC1(COC)CCOCC1 ZINC000163514954 538929267 /nfs/dbraw/zinc/92/92/67/538929267.db2.gz SRUHSKMUWQTUFD-UHFFFAOYSA-N 1 0 217.309 0.666 10 0 BCAERO Cc1cc(N[C@H]2CCS(=O)(=O)C2)[nH+]cc1N ZINC000082550062 178190120 /nfs/dbraw/zinc/19/01/20/178190120.db2.gz KMGBBVGXLRNOIT-QMMMGPOBSA-N 1 0 241.316 0.571 10 0 BCAERO Brc1cnn(C[C@@H]2C[NH2+]CCO2)c1 ZINC000070833933 361778370 /nfs/dbraw/zinc/77/83/70/361778370.db2.gz TZNMMXXYUVPRKT-QMMMGPOBSA-N 1 0 246.108 0.634 10 0 BCAERO Nc1nnc(SC[C@@H]2C[NH2+]CCO2)s1 ZINC000070834362 361778448 /nfs/dbraw/zinc/77/84/48/361778448.db2.gz HXQZNIVDXUBFBU-YFKPBYRVSA-N 1 0 232.334 0.201 10 0 BCAERO CCCN(C(=O)C(=O)OC)C1CC[NH2+]CC1 ZINC000165443345 538936021 /nfs/dbraw/zinc/93/60/21/538936021.db2.gz QZMLRQXWNFUGBK-UHFFFAOYSA-N 1 0 228.292 0.150 10 0 BCAERO C[C@@H]1CCSCC[N@@H+]1[C@H]1COC[C@H]1O ZINC000306643591 361807331 /nfs/dbraw/zinc/80/73/31/361807331.db2.gz XDVWROPCEVGIGF-KXUCPTDWSA-N 1 0 217.334 0.574 10 0 BCAERO Cc1cc2c(N3C[C@H]4C[NH2+]C[C@H]4C3)nccn2n1 ZINC000129881536 178279804 /nfs/dbraw/zinc/27/98/04/178279804.db2.gz NJNARIPVNKVSER-PHIMTYICSA-N 1 0 243.314 0.693 10 0 BCAERO CCN1C[C@@H](NC(=O)C[C@H]([NH3+])C(C)C)CC1=O ZINC000391559123 398242626 /nfs/dbraw/zinc/24/26/26/398242626.db2.gz FKDCDNKIGRAUMS-UWVGGRQHSA-N 1 0 241.335 0.097 10 0 BCAERO COC(=O)[C@H](C)N1CC[C@@H]([NH+](C)C)C1 ZINC000220125497 398243520 /nfs/dbraw/zinc/24/35/20/398243520.db2.gz NMUQREACSJJYGC-DTWKUNHWSA-N 1 0 200.282 0.184 10 0 BCAERO Cc1cc2ncc(C[NH2+]C(C)(C)CO)cn2n1 ZINC000104281837 178303167 /nfs/dbraw/zinc/30/31/67/178303167.db2.gz IYTAFIFWROBRGY-UHFFFAOYSA-N 1 0 234.303 0.898 10 0 BCAERO Cc1cc2c(n1CC(N)=O)CCC[C@@H]2[NH3+] ZINC000041726600 178293544 /nfs/dbraw/zinc/29/35/44/178293544.db2.gz YXBYGWIYSKIVLO-VIFPVBQESA-N 1 0 207.277 0.618 10 0 BCAERO CCc1nc([C@H]2CCCN2CC[NH3+])no1 ZINC000381286886 398247573 /nfs/dbraw/zinc/24/75/73/398247573.db2.gz ZSXQEVPOHWSWLH-MRVPVSSYSA-N 1 0 210.281 0.728 10 0 BCAERO CN(C(=O)c1ccon1)[C@@H]1CCC[NH2+]CC1 ZINC000231486770 398252297 /nfs/dbraw/zinc/25/22/97/398252297.db2.gz YMCHTCSHYYNOHV-SECBINFHSA-N 1 0 223.276 0.889 10 0 BCAERO CC[C@H](C)[C@H](C[NH2+]C[C@H]1CN(C)CCO1)OC ZINC000381334959 398252392 /nfs/dbraw/zinc/25/23/92/398252392.db2.gz ADFVABCXKOBHJF-AVGNSLFASA-N 1 0 244.379 0.968 10 0 BCAERO CC[C@H](C)[C@@H](C[NH2+]C[C@@H]1CN(C)CCO1)OC ZINC000381334982 398252456 /nfs/dbraw/zinc/25/24/56/398252456.db2.gz ADFVABCXKOBHJF-YNEHKIRRSA-N 1 0 244.379 0.968 10 0 BCAERO CCC[NH2+][C@@H]1CCN(S(C)(=O)=O)C[C@@H]1C ZINC000168069964 538944296 /nfs/dbraw/zinc/94/42/96/538944296.db2.gz KUQKCFMHZXTYIK-VHSXEESVSA-N 1 0 234.365 0.656 10 0 BCAERO Cc1c(C[NH2+]CC(C)(C)CO)cnn1C ZINC000168619682 538945462 /nfs/dbraw/zinc/94/54/62/538945462.db2.gz CXKTZINNNPLJGZ-UHFFFAOYSA-N 1 0 211.309 0.837 10 0 BCAERO C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[NH2+][C@@H]2C)CO1 ZINC000576705321 365664703 /nfs/dbraw/zinc/66/47/03/365664703.db2.gz ZOVUVPLLTSHXKA-ZRUFSTJUSA-N 1 0 226.320 0.668 10 0 BCAERO CO[C@@H]1C[C@@H](CO)[N@H+](C[C@@H]2CCCN2C)C1 ZINC000386371222 398264561 /nfs/dbraw/zinc/26/45/61/398264561.db2.gz YSLFVBCOYZHVFF-SDDRHHMPSA-N 1 0 228.336 0.162 10 0 BCAERO CC[NH2+][C@H](C)C(=O)N1CCC[C@@H](C(=O)OC)C1 ZINC000602522476 349576151 /nfs/dbraw/zinc/57/61/51/349576151.db2.gz VYTDITRFVSAVRB-NXEZZACHSA-N 1 0 242.319 0.396 10 0 BCAERO CCC(CC)N(CCO)C(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000104214886 168374750 /nfs/dbraw/zinc/37/47/50/168374750.db2.gz XDECAAJNEOWECK-ZYHUDNBSSA-N 1 0 242.363 0.851 10 0 BCAERO COc1cc(C)nc(N[C@@H](C)[C@@H](C)[NH3+])n1 ZINC000381662970 398268840 /nfs/dbraw/zinc/26/88/40/398268840.db2.gz ARCZUWGNKRFDGL-SFYZADRCSA-N 1 0 210.281 0.941 10 0 BCAERO CC1(C)OCC[C@@H]1[NH2+]C[C@@H]1CNC(=O)O1 ZINC000378854965 346844373 /nfs/dbraw/zinc/84/43/73/346844373.db2.gz JJIQZUVQSVDFIT-SFYZADRCSA-N 1 0 214.265 0.252 10 0 BCAERO C[C@H]1CC(NC(=O)[C@H]2C[C@H](F)C[NH2+]2)C[C@H](C)O1 ZINC000188991876 346853640 /nfs/dbraw/zinc/85/36/40/346853640.db2.gz POCZMCUBLFRWJW-FTYOSLGDSA-N 1 0 244.310 0.759 10 0 BCAERO C[C@H]1C[C@H]([NH3+])CN1S(=O)(=O)C(C)(C)C ZINC000306644308 361829126 /nfs/dbraw/zinc/82/91/26/361829126.db2.gz ZDKVOSXBCXKCJW-YUMQZZPRSA-N 1 0 220.338 0.536 10 0 BCAERO C[C@H]1C[C@@H]([NH3+])CN1S(=O)(=O)C(C)(C)C ZINC000306644306 361829348 /nfs/dbraw/zinc/82/93/48/361829348.db2.gz ZDKVOSXBCXKCJW-JGVFFNPUSA-N 1 0 220.338 0.536 10 0 BCAERO CC[NH+](CC)C[C@H](O)Cn1cc(N)cn1 ZINC000036683205 538960621 /nfs/dbraw/zinc/96/06/21/538960621.db2.gz DCLKEENLCMWQJB-JTQLQIEISA-N 1 0 212.297 0.168 10 0 BCAERO CC(C)[N@H+](C)C[C@@H](O)Cn1cc(N)cn1 ZINC000036683231 538960670 /nfs/dbraw/zinc/96/06/70/538960670.db2.gz PRPCZCQLTVSKQN-SNVBAGLBSA-N 1 0 212.297 0.166 10 0 BCAERO C[C@@H]1C(=O)NCCC[N@H+]1CC1=CCCOC1 ZINC000189072499 346856476 /nfs/dbraw/zinc/85/64/76/346856476.db2.gz XSSWWDGHSKATFP-SNVBAGLBSA-N 1 0 224.304 0.544 10 0 BCAERO C[C@H]1C(=O)NCCC[N@H+]1CC1=CCCOC1 ZINC000189072524 346857292 /nfs/dbraw/zinc/85/72/92/346857292.db2.gz XSSWWDGHSKATFP-JTQLQIEISA-N 1 0 224.304 0.544 10 0 BCAERO Cc1n[nH]cc1[C@@H](C)[NH2+]C[C@@H]1CN(C)CCO1 ZINC000180844306 538958858 /nfs/dbraw/zinc/95/88/58/538958858.db2.gz KSVOMWJNFORDFZ-MWLCHTKSSA-N 1 0 238.335 0.699 10 0 BCAERO C[C@@H]1C(=O)NCCCN1Cc1nccn1C ZINC000189105193 346859403 /nfs/dbraw/zinc/85/94/03/346859403.db2.gz OJCKBHVWATUTLQ-SECBINFHSA-N 1 0 222.292 0.131 10 0 BCAERO CO[C@H]1C[NH2+][C@@H](COc2cccnc2)C1 ZINC000079972824 259317467 /nfs/dbraw/zinc/31/74/67/259317467.db2.gz NDAXSNWXBNRDOC-MWLCHTKSSA-N 1 0 208.261 0.837 10 0 BCAERO C[C@H]1CCN(C(=O)[C@H]2CSCC[NH2+]2)C1 ZINC000126843042 342746496 /nfs/dbraw/zinc/74/64/96/342746496.db2.gz XFUPFEIOUXMFPH-DTWKUNHWSA-N 1 0 214.334 0.560 10 0 BCAERO CCC(CC)NC(=O)[C@H](C)N1C[C@H]([NH3+])[C@@H](C)C1 ZINC000300047947 168382921 /nfs/dbraw/zinc/38/29/21/168382921.db2.gz GCXSOCWKQAQVJQ-NHCYSSNCSA-N 1 0 241.379 0.959 10 0 BCAERO C[C@H]1CCN(C(=O)[C@@H]2CSCC[NH2+]2)C1 ZINC000126842587 342733145 /nfs/dbraw/zinc/73/31/45/342733145.db2.gz XFUPFEIOUXMFPH-IUCAKERBSA-N 1 0 214.334 0.560 10 0 BCAERO CCOCCNC(=O)C[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000183221688 538965654 /nfs/dbraw/zinc/96/56/54/538965654.db2.gz GHEZVNYMVYVLOH-WDEREUQCSA-N 1 0 244.335 0.296 10 0 BCAERO CCC[C@H](C(=O)NCC[C@H](O)COC)[NH+](C)C ZINC000130791051 323011938 /nfs/dbraw/zinc/01/19/38/323011938.db2.gz JWQYZDAGDCSMQV-WDEREUQCSA-N 1 0 246.351 0.230 10 0 BCAERO C[C@@H]1CCN(S(=O)(=O)C2CC2)C[C@@H]1[NH3+] ZINC000070910384 361876218 /nfs/dbraw/zinc/87/62/18/361876218.db2.gz SGLWGVHXUIMAAW-APPZFPTMSA-N 1 0 218.322 0.148 10 0 BCAERO CC[C@@H](C)NC(=O)C[NH2+][C@@H](C(=O)NC)C(C)C ZINC000183662093 538967322 /nfs/dbraw/zinc/96/73/22/538967322.db2.gz BMPOKOPILHBAGR-MWLCHTKSSA-N 1 0 243.351 0.261 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1cncnc1 ZINC000232089513 342778213 /nfs/dbraw/zinc/77/82/13/342778213.db2.gz BTQTWCYPRQLCAW-VXNVDRBHSA-N 1 0 206.249 0.271 10 0 BCAERO O=C(C[C@@H]1CCC[NH2+]C1)Nc1cncnc1 ZINC000232088685 342777731 /nfs/dbraw/zinc/77/77/31/342777731.db2.gz LGXNERVHXNNKTP-VIFPVBQESA-N 1 0 220.276 0.805 10 0 BCAERO COC(=O)[C@H]([NH3+])[C@@H]1CCOC(C)(C)C1 ZINC000147949044 342783608 /nfs/dbraw/zinc/78/36/08/342783608.db2.gz MKHBEKVALPWSSY-HTQZYQBOSA-N 1 0 201.266 0.692 10 0 BCAERO CC1(C)CN(C(=O)[C@H]2CCC[NH2+]C2)CCO1 ZINC000036232539 342793170 /nfs/dbraw/zinc/79/31/70/342793170.db2.gz PYSNHDIIPZPYHT-JTQLQIEISA-N 1 0 226.320 0.623 10 0 BCAERO C[C@@H]1CN(C(=O)C[NH+](C)C)C[C@@H](C)O1 ZINC000185465847 538970652 /nfs/dbraw/zinc/97/06/52/538970652.db2.gz NCIXNHDVUKJJSU-RKDXNWHRSA-N 1 0 200.282 0.184 10 0 BCAERO CC[C@H]1COCCN1C(=O)[C@H]1CCC[NH2+]C1 ZINC000036326557 342809284 /nfs/dbraw/zinc/80/92/84/342809284.db2.gz ARZUZSALDHXGAZ-QWRGUYRKSA-N 1 0 226.320 0.623 10 0 BCAERO [NH3+][C@@H]1CC[C@@H](C(=O)N2CCC(CCO)CC2)C1 ZINC000401001672 398288552 /nfs/dbraw/zinc/28/85/52/398288552.db2.gz BRMLYYXEMOXMAH-VXGBXAGGSA-N 1 0 240.347 0.735 10 0 BCAERO COC(=O)C1=C(O)CC(C)(C)[NH2+]C1(C)C ZINC000035645954 342803579 /nfs/dbraw/zinc/80/35/79/342803579.db2.gz FZQMQLOFIFWFQC-QMMMGPOBSA-N 1 0 213.277 0.895 10 0 in-vitro BCAERO COC(=O)[C@@H](N)CC[NH2+]Cc1ccccc1 ZINC000044336361 538988723 /nfs/dbraw/zinc/98/87/23/538988723.db2.gz CZUFOLWVNJPKIS-NSHDSACASA-N 1 0 222.288 0.667 10 0 BCAERO C[C@@H]1OCC[C@@]1(C[NH3+])N1CCSCC1 ZINC000134405500 342837906 /nfs/dbraw/zinc/83/79/06/342837906.db2.gz BPPICVYOSSFUFD-UWVGGRQHSA-N 1 0 216.350 0.542 10 0 BCAERO CCN1C[C@H](C)[C@H]([NH2+][C@@H](C)CS(C)(=O)=O)C1 ZINC000381742787 539006267 /nfs/dbraw/zinc/00/62/67/539006267.db2.gz PGVCXTFDPXABOF-GARJFASQSA-N 1 0 248.392 0.349 10 0 BCAERO CC[NH+]1CCC([C@H](C)S(N)(=O)=O)CC1 ZINC000050350505 539010794 /nfs/dbraw/zinc/01/07/94/539010794.db2.gz NJRQHUUYBRSPPD-QMMMGPOBSA-N 1 0 220.338 0.395 10 0 BCAERO CC[N@@H+]1C[C@@H](C)[C@@H](NCc2ncnn2C)C1 ZINC000390459321 539021937 /nfs/dbraw/zinc/02/19/37/539021937.db2.gz FDMUEOWLQYSYSE-ZJUUUORDSA-N 1 0 223.324 0.245 10 0 BCAERO CC(C)[C@@H]([NH3+])C(=O)NCc1cncs1 ZINC000131535815 259324704 /nfs/dbraw/zinc/32/47/04/259324704.db2.gz UIDMFJYDSUYZLI-MRVPVSSYSA-N 1 0 213.306 0.743 10 0 BCAERO O=c1c2cnn(C3C[NH2+]C3)c2[nH]cc1Cl ZINC000725259464 539026831 /nfs/dbraw/zinc/02/68/31/539026831.db2.gz ZVZFQTNTUZXWBN-UHFFFAOYSA-N 1 0 224.651 0.935 10 0 BCAERO C[NH+](C)C[C@@H]1COC[C@@H]1N1CCC(CO)CC1 ZINC000725273977 539026848 /nfs/dbraw/zinc/02/68/48/539026848.db2.gz ZVEUBSAZMHRTCB-OLZOCXBDSA-N 1 0 242.363 0.267 10 0 BCAERO CC[NH2+][C@H](C(N)=O)[C@H](C)n1cc(C)cn1 ZINC000710700857 539028123 /nfs/dbraw/zinc/02/81/23/539028123.db2.gz GVEREBJOPHSGFQ-IUCAKERBSA-N 1 0 210.281 0.216 10 0 BCAERO CCC[NH2+][C@@H](C(N)=O)[C@H](C)n1cccn1 ZINC000710719817 539028225 /nfs/dbraw/zinc/02/82/25/539028225.db2.gz PNFBXUOUIYLVPG-DTWKUNHWSA-N 1 0 210.281 0.298 10 0 BCAERO CC(C)c1cnn([C@H](C)[C@H]([NH3+])C(N)=O)c1 ZINC000710697895 539028326 /nfs/dbraw/zinc/02/83/26/539028326.db2.gz CFHBTHGPQISTOF-APPZFPTMSA-N 1 0 210.281 0.380 10 0 BCAERO COCCC(=O)N1C[C@@H]([NH3+])C(C)(C)C1 ZINC000388044603 539014306 /nfs/dbraw/zinc/01/43/06/539014306.db2.gz JPRCTFGWHGUFPF-MRVPVSSYSA-N 1 0 200.282 0.219 10 0 BCAERO CCC[C@H](C[NH3+])[C@@H](O)c1csnn1 ZINC000388214452 539014701 /nfs/dbraw/zinc/01/47/01/539014701.db2.gz WJHIZNLBIZVWCM-HTRCEHHLSA-N 1 0 201.295 0.947 10 0 BCAERO C[C@H]1OCC[C@H]1NC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000382022318 398300188 /nfs/dbraw/zinc/30/01/88/398300188.db2.gz QQMZCSBGPLACNV-IGORNWKESA-N 1 0 210.277 0.030 10 0 BCAERO C[C@@H]1OCC[C@H]1NC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000382022315 398300294 /nfs/dbraw/zinc/30/02/94/398300294.db2.gz QQMZCSBGPLACNV-CHHOWFRJSA-N 1 0 210.277 0.030 10 0 BCAERO C[NH2+]C(C)(C)C(=O)N[C@@H]1CCO[C@H]1C ZINC000134549657 342864515 /nfs/dbraw/zinc/86/45/15/342864515.db2.gz PEIVAMOCHUCLBT-JGVFFNPUSA-N 1 0 200.282 0.278 10 0 BCAERO CCC[C@H](C[NH2+]C[C@@H]1CN(C)CCO1)OC ZINC000382150495 398308029 /nfs/dbraw/zinc/30/80/29/398308029.db2.gz PKTMYGZDBQTOQE-VXGBXAGGSA-N 1 0 230.352 0.722 10 0 BCAERO C[NH2+][C@@H]1CSC[C@H]1[C@@H]1CCS(=O)(=O)C1 ZINC000134591808 342871427 /nfs/dbraw/zinc/87/14/27/342871427.db2.gz MCBNNVNQSSEPGT-HRDYMLBCSA-N 1 0 235.374 0.372 10 0 BCAERO CC[NH2+]Cc1nc2c(c(=O)[nH]1)CSC2 ZINC000134654416 342875257 /nfs/dbraw/zinc/87/52/57/342875257.db2.gz WRZMOSVQGQOGBU-UHFFFAOYSA-N 1 0 211.290 0.626 10 0 BCAERO CN([C@@H]1CCOC1)[C@]1(C[NH3+])CCSC1 ZINC000134654478 342875394 /nfs/dbraw/zinc/87/53/94/342875394.db2.gz LIVPOPRVZADZAF-ZJUUUORDSA-N 1 0 216.350 0.542 10 0 BCAERO c1nnsc1CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000308927274 342877334 /nfs/dbraw/zinc/87/73/34/342877334.db2.gz QIOGZKNFTHGLPX-VIFPVBQESA-N 1 0 224.333 0.818 10 0 BCAERO CCN(CC)C[C@@H](C)[NH2+][C@@H](C)CC(=O)NC ZINC000167313361 136245188 /nfs/dbraw/zinc/24/51/88/136245188.db2.gz NAPWYBKHXVQYQC-WDEREUQCSA-N 1 0 229.368 0.831 10 0 BCAERO CCOCCCC(=O)N1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000233730702 342912014 /nfs/dbraw/zinc/91/20/14/342912014.db2.gz MMAFFMGLJCAVNI-ZJUUUORDSA-N 1 0 214.309 0.609 10 0 BCAERO C[S@](=O)N1CC[NH2+]C[C@H]1C(C)(C)C ZINC000407279104 342914345 /nfs/dbraw/zinc/91/43/45/342914345.db2.gz SVPAEOVTPDLGKM-SDBXPKJASA-N 1 0 204.339 0.600 10 0 BCAERO C[S@@](=O)N1CC[NH2+]C[C@@H]1C(C)(C)C ZINC000407279098 342914529 /nfs/dbraw/zinc/91/45/29/342914529.db2.gz SVPAEOVTPDLGKM-AMIZOPFISA-N 1 0 204.339 0.600 10 0 BCAERO CC[C@H](O)CCNC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000234079161 342917136 /nfs/dbraw/zinc/91/71/36/342917136.db2.gz HRRSKAUOUNSOHQ-KXUCPTDWSA-N 1 0 214.309 0.119 10 0 BCAERO CO[C@H](CNC(=O)[C@@H]1CC[C@H]([NH3+])C1)C(C)C ZINC000262456979 536628566 /nfs/dbraw/zinc/62/85/66/536628566.db2.gz UNVLYRKURQMUPT-OUAUKWLOSA-N 1 0 228.336 0.901 10 0 BCAERO COCCC(C)(C)CNC(=O)[C@H]([NH3+])COC ZINC000234592515 342930627 /nfs/dbraw/zinc/93/06/27/342930627.db2.gz UCHVPNYFFSMBIX-SECBINFHSA-N 1 0 232.324 0.139 10 0 BCAERO CNC(=O)c1c[nH+]c(NN)c(Cl)c1 ZINC000051095651 346878671 /nfs/dbraw/zinc/87/86/71/346878671.db2.gz PKTMXSVARAXBJK-UHFFFAOYSA-N 1 0 200.629 0.380 10 0 BCAERO COCCC(C)(C)CNC(=O)[C@@H]([NH3+])COC ZINC000234674518 342933589 /nfs/dbraw/zinc/93/35/89/342933589.db2.gz UCHVPNYFFSMBIX-VIFPVBQESA-N 1 0 232.324 0.139 10 0 BCAERO COCCCC(=O)N1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000234668431 342935573 /nfs/dbraw/zinc/93/55/73/342935573.db2.gz WXLLFETZDGWXML-BDAKNGLRSA-N 1 0 200.282 0.219 10 0 BCAERO Cn1c(C[NH3+])nnc1S[C@@H]1CCOC1 ZINC000070533290 398330386 /nfs/dbraw/zinc/33/03/86/398330386.db2.gz ASCDTCPWHAWGCU-ZCFIWIBFSA-N 1 0 214.294 0.155 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N(C)c1ccc(C)cc1 ZINC000088004000 536653280 /nfs/dbraw/zinc/65/32/80/536653280.db2.gz YXKNMSMEWHWTJB-LLVKDONJSA-N 1 0 222.288 0.932 10 0 BCAERO NC(=O)c1ccc(CN2CCC[C@H]2C[NH3+])cc1 ZINC000123451269 398338214 /nfs/dbraw/zinc/33/82/14/398338214.db2.gz CHKPCPINVLQVBC-LBPRGKRZSA-N 1 0 233.315 0.709 10 0 BCAERO [NH3+]C1CCC(C(=O)N[C@H]2CCC[C@H](O)C2)CC1 ZINC000037626655 398333313 /nfs/dbraw/zinc/33/33/13/398333313.db2.gz RLNHAKBVNSDQDO-QQFIATSDSA-N 1 0 240.347 0.924 10 0 BCAERO COC[C@@H]([NH3+])C(=O)NCc1ccc(C)s1 ZINC000088004008 536661638 /nfs/dbraw/zinc/66/16/38/536661638.db2.gz WGNQZHHDGFHONY-SECBINFHSA-N 1 0 228.317 0.646 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N(CC(N)=O)C1CCCC1 ZINC000037813915 398334518 /nfs/dbraw/zinc/33/45/18/398334518.db2.gz KSVRVDQMBISNBV-JTQLQIEISA-N 1 0 241.335 0.370 10 0 BCAERO CC[C@@H]([NH3+])C(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000037815448 398334529 /nfs/dbraw/zinc/33/45/29/398334529.db2.gz VZFYAYWGLGUPEO-VWYCJHECSA-N 1 0 226.320 0.894 10 0 BCAERO COCCC1(CNC(=O)[C@H]2CC[NH2+]C2)CC1 ZINC000234819262 342954206 /nfs/dbraw/zinc/95/42/06/342954206.db2.gz HOQFMUWLUHIMHO-JTQLQIEISA-N 1 0 226.320 0.529 10 0 BCAERO C[C@H]1C[N@@H+]([C@@H]2CCC[C@H]2O)C[C@H]1N(C)C ZINC000299892285 488193350 /nfs/dbraw/zinc/19/33/50/488193350.db2.gz RNIYSQUPAPOXBN-IRCOFANPSA-N 1 0 212.337 0.782 10 0 BCAERO COC(C)(C)C[C@H](C)[NH2+]CCOCCO ZINC000020524758 342989746 /nfs/dbraw/zinc/98/97/46/342989746.db2.gz QRCIPRVLWCZAED-JTQLQIEISA-N 1 0 219.325 0.789 10 0 BCAERO CO[C@@H]1CCCN(C(=O)[C@@H]2CCC[C@H]2C[NH3+])C1 ZINC000299900833 488193817 /nfs/dbraw/zinc/19/38/17/488193817.db2.gz AAKNQYOPTJBBIA-QJPTWQEYSA-N 1 0 240.347 0.999 10 0 BCAERO CC(C)(C)[C@@H](O)C[NH2+]Cc1ccncn1 ZINC000308780606 346911268 /nfs/dbraw/zinc/91/12/68/346911268.db2.gz PINKRKWCXDRRLN-JTQLQIEISA-N 1 0 209.293 0.973 10 0 BCAERO Cc1cnn(CCNC(=O)[C@@H](C)[C@H](C)[NH3+])c1 ZINC000235484320 343039641 /nfs/dbraw/zinc/03/96/41/343039641.db2.gz KFAFXWNYPHMUSG-UWVGGRQHSA-N 1 0 224.308 0.291 10 0 BCAERO Cc1cc([C@@H]2OC[C@@H](C[NH3+])O2)sn1 ZINC000404423610 343055319 /nfs/dbraw/zinc/05/53/19/343055319.db2.gz VPOVMDGHXKVGJT-HTRCEHHLSA-N 1 0 200.263 0.824 10 0 BCAERO C=CCCc1cc(N2CCOCC2)nc(NN)[nH+]1 ZINC000140496998 343073543 /nfs/dbraw/zinc/07/35/43/343073543.db2.gz IXWWQHIMXWTXMV-UHFFFAOYSA-N 1 0 249.318 0.717 10 0 BCAERO COc1cc(O)cc(OC)c1[C@H](N)C[NH3+] ZINC000072200811 343069386 /nfs/dbraw/zinc/06/93/86/343069386.db2.gz ALUDDPXYFIJYCY-SSDOTTSWSA-N 1 0 212.249 0.368 10 0 BCAERO Cn1cc([C@@H]2[C@@H](C[NH3+])CCC(=O)N2C)cn1 ZINC000399730517 343078777 /nfs/dbraw/zinc/07/87/77/343078777.db2.gz KIEJFOQZJJLHNG-KCJUWKMLSA-N 1 0 222.292 0.288 10 0 BCAERO C[C@@H](O)CNC(=O)[C@]1(C)CCC[C@@H]1[NH3+] ZINC000134929803 343079496 /nfs/dbraw/zinc/07/94/96/343079496.db2.gz QPLFHOJLYVBVDD-KHQFGBGNSA-N 1 0 200.282 0.001 10 0 BCAERO CN1CCn2c(C#N)ccc2C12CC[NH2+]CC2 ZINC000144403750 362025077 /nfs/dbraw/zinc/02/50/77/362025077.db2.gz ZTEJALBSKBMICB-UHFFFAOYSA-N 1 0 230.315 0.884 10 0 BCAERO CC(C)(C)OC(=O)CN1CCC([NH3+])CC1 ZINC000037408996 343074928 /nfs/dbraw/zinc/07/49/28/343074928.db2.gz PCLSFENZMOENCP-UHFFFAOYSA-N 1 0 214.309 0.751 10 0 BCAERO O[C@@H]1CCCC[C@H]1[NH2+]Cc1cccnn1 ZINC000236543403 343102296 /nfs/dbraw/zinc/10/22/96/343102296.db2.gz RELKKAJKSPGUIM-GHMZBOCLSA-N 1 0 207.277 0.870 10 0 BCAERO C[NH2+]Cc1c(Br)c(OC)nn1C ZINC000145051647 343146248 /nfs/dbraw/zinc/14/62/48/343146248.db2.gz OQQNIBIASSUKNO-UHFFFAOYSA-N 1 0 234.097 0.911 10 0 BCAERO CCONC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000186038564 136270560 /nfs/dbraw/zinc/27/05/60/136270560.db2.gz JJAAKNHGJYGSAU-VIFPVBQESA-N 1 0 213.281 0.428 10 0 BCAERO CSCC[N@@H+]1CCCNC(=O)[C@H]1C ZINC000189289318 136270734 /nfs/dbraw/zinc/27/07/34/136270734.db2.gz RQGNCCHLXJITQR-MRVPVSSYSA-N 1 0 202.323 0.560 10 0 BCAERO CC12C[N@H+]3C[C@@](C)(C[C@@](C)(C3)C1=O)C2=O ZINC000144451546 343135318 /nfs/dbraw/zinc/13/53/18/343135318.db2.gz ILHCBIKTZZEZGH-FOSCPWQOSA-N 1 0 207.273 0.876 10 0 BCAERO OCCCC[N@@H+]1CCC[C@H]1CCCO ZINC000052762236 136271853 /nfs/dbraw/zinc/27/18/53/136271853.db2.gz HSWAXVSVAFMQSI-NSHDSACASA-N 1 0 201.310 0.996 10 0 BCAERO Cn1ncnc1NC(=O)[C@]1(C)CCCC[NH2+]1 ZINC000127544105 343178543 /nfs/dbraw/zinc/17/85/43/343178543.db2.gz JAWNIBWKRZHPCE-JTQLQIEISA-N 1 0 223.280 0.286 10 0 BCAERO Cn1nnnc1NCC[NH2+]C1CCCCCC1 ZINC000130132246 343180309 /nfs/dbraw/zinc/18/03/09/343180309.db2.gz KPIDKAIIPUQIIK-UHFFFAOYSA-N 1 0 238.339 0.934 10 0 BCAERO C[C@@H]1CCN(C(=O)C(C)(C)N2CC[NH2+]CC2)C1 ZINC000131253268 343183266 /nfs/dbraw/zinc/18/32/66/343183266.db2.gz FRAOPTPJBHJICS-LLVKDONJSA-N 1 0 239.363 0.539 10 0 BCAERO C[C@@H]1C[NH2+]CCN1c1ccc2nccnc2n1 ZINC000094726332 343157110 /nfs/dbraw/zinc/15/71/10/343157110.db2.gz MTKBGENKAGHSFQ-SECBINFHSA-N 1 0 229.287 0.823 10 0 BCAERO C[NH2+][C@H](C)C(=O)NCCC(=O)N1CCCCC1 ZINC000124133108 343167021 /nfs/dbraw/zinc/16/70/21/343167021.db2.gz CLXFDSSDZADQTF-SNVBAGLBSA-N 1 0 241.335 0.113 10 0 BCAERO COc1c(N)ncnc1N1CC[C@H](CCO)C1 ZINC000125649751 343173988 /nfs/dbraw/zinc/17/39/88/343173988.db2.gz ZLHAKBYFJKCBTD-MRVPVSSYSA-N 1 0 238.291 0.276 10 0 BCAERO CSC[C@H](C)NC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000158428666 343200785 /nfs/dbraw/zinc/20/07/85/343200785.db2.gz NWNQXDSCPRNGMM-CIUDSAMLSA-N 1 0 216.350 0.982 10 0 BCAERO CO[C@H]1C[NH2+][C@@H](C(=O)NCCCCSC)C1 ZINC000159156499 343201691 /nfs/dbraw/zinc/20/16/91/343201691.db2.gz UETOYPCQSSUHCM-NXEZZACHSA-N 1 0 246.376 0.623 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)N2CC[NH2+][C@@H](C)C2)O1 ZINC000159232699 343201989 /nfs/dbraw/zinc/20/19/89/343201989.db2.gz FYHZKSQCWDGXAB-IVZWLZJFSA-N 1 0 212.293 0.374 10 0 BCAERO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)[C@H]2CCCO2)C1 ZINC000166386536 343213140 /nfs/dbraw/zinc/21/31/40/343213140.db2.gz HGGRBQLEAOTUHS-OUAUKWLOSA-N 1 0 226.320 0.751 10 0 BCAERO Cc1nsc(NC(=O)[C@H]2CC[C@@H]([NH3+])C2)n1 ZINC000131794777 343186690 /nfs/dbraw/zinc/18/66/90/343186690.db2.gz GKPMMHYMQIKGLA-NKWVEPMBSA-N 1 0 226.305 0.912 10 0 BCAERO C[NH2+][C@H](C)C(=O)N1CCS[C@@H](C)[C@@H]1C ZINC000132387548 343188275 /nfs/dbraw/zinc/18/82/75/343188275.db2.gz UPRYNAWHBWBVBK-VGMNWLOBSA-N 1 0 216.350 0.947 10 0 BCAERO CC(C)(C(=O)NCC(F)F)N1CC[NH2+]CC1 ZINC000133085808 343190037 /nfs/dbraw/zinc/19/00/37/343190037.db2.gz CESHSBYTDPHKFI-UHFFFAOYSA-N 1 0 235.278 0.052 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)N2CC[NH2+]C[C@H]2C)O1 ZINC000134844230 343191395 /nfs/dbraw/zinc/19/13/95/343191395.db2.gz AHHZLCBOOJIQTM-OPRDCNLKSA-N 1 0 212.293 0.374 10 0 BCAERO CN(C(=O)[C@@]1(C)CCC[NH2+]1)[C@@H]1CCOC1 ZINC000134273516 343193937 /nfs/dbraw/zinc/19/39/37/343193937.db2.gz QFOZOJCYOWQVHU-MWLCHTKSSA-N 1 0 212.293 0.376 10 0 BCAERO COC[C@@H]([NH3+])C(=O)NC1(C)CCCC1 ZINC000088003711 136282819 /nfs/dbraw/zinc/28/28/19/136282819.db2.gz UAUKLYBWKOPHLM-MRVPVSSYSA-N 1 0 200.282 0.409 10 0 BCAERO CCc1nc(NC(=O)[C@@H]([NH3+])COC)sc1C ZINC000088003796 136283114 /nfs/dbraw/zinc/28/31/14/136283114.db2.gz WGJMQPZNBXHFHU-ZETCQYMHSA-N 1 0 243.332 0.926 10 0 BCAERO COC(=O)[C@H](C)C[NH+]1CCC(C)(O)CC1 ZINC000088022733 136283713 /nfs/dbraw/zinc/28/37/13/136283713.db2.gz CEDIVKWEAKQJOY-SECBINFHSA-N 1 0 215.293 0.642 10 0 BCAERO CN(C[C@H]1CCCO1)C(=O)C1([NH3+])CCC1 ZINC000088050819 136284094 /nfs/dbraw/zinc/28/40/94/136284094.db2.gz VYMQBOGTMSQHQH-SECBINFHSA-N 1 0 212.293 0.505 10 0 BCAERO COC(=O)c1ccc([C@](C)([NH3+])CO)cc1 ZINC000238400965 343256780 /nfs/dbraw/zinc/25/67/80/343256780.db2.gz LQBWSGUZUPQCJX-LLVKDONJSA-N 1 0 209.245 0.639 10 0 BCAERO OCC[NH2+]C[C@H]1COC2(CCCCC2)O1 ZINC000238705522 343258396 /nfs/dbraw/zinc/25/83/96/343258396.db2.gz LZHGMMIFCFDGHE-JTQLQIEISA-N 1 0 215.293 0.644 10 0 BCAERO CC[C@@H](NC(=O)C[C@H]1CCC[NH2+]C1)C(=O)OC ZINC000310087702 343263010 /nfs/dbraw/zinc/26/30/10/343263010.db2.gz BQWPDDBKTSIBIA-NXEZZACHSA-N 1 0 242.319 0.444 10 0 BCAERO O=[S@@](c1ccccn1)C1CC[NH2+]CC1 ZINC000034163406 343265624 /nfs/dbraw/zinc/26/56/24/343265624.db2.gz ZDFZNBBCAHEBAH-AWEZNQCLSA-N 1 0 210.302 0.941 10 0 BCAERO COc1cc(Cn2cc(C(C)(C)[NH3+])nn2)on1 ZINC000641055894 362167983 /nfs/dbraw/zinc/16/79/83/362167983.db2.gz WPWMQVYCMQFNAQ-UHFFFAOYSA-N 1 0 237.263 0.517 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)O1 ZINC000310199003 343379499 /nfs/dbraw/zinc/37/94/99/343379499.db2.gz ANASAFWQUBDFMC-WISYIIOYSA-N 1 0 238.331 0.764 10 0 BCAERO O[C@@H]1CCCC[C@H]1[NH2+]CCCN1CCOCC1 ZINC000037490666 343347311 /nfs/dbraw/zinc/34/73/11/343347311.db2.gz JCGZTKRBXWUQDX-CHWSQXEVSA-N 1 0 242.363 0.602 10 0 BCAERO [NH3+][C@]1(O)C(c2ccccc2)=CC=C[C@H]1O ZINC000039096271 343382535 /nfs/dbraw/zinc/38/25/35/343382535.db2.gz JVZLGWMVLXFEQM-NEPJUHHUSA-N 1 0 203.241 0.648 10 0 BCAERO C[C@H]1CCCN(C(=O)[C@H]2CCCO2)[C@H]1C[NH3+] ZINC000166387016 136352488 /nfs/dbraw/zinc/35/24/88/136352488.db2.gz CCIDDXTXGNEVIN-GARJFASQSA-N 1 0 226.320 0.751 10 0 BCAERO CO[C@H]1C[NH2+][C@@H](C(=O)Nc2ccncc2)C1 ZINC000308919762 346940398 /nfs/dbraw/zinc/94/03/98/346940398.db2.gz GCDOAUOFFQUPPI-NXEZZACHSA-N 1 0 221.260 0.397 10 0 BCAERO CC[C@H]([NH3+])CNc1ncnc2nc[nH]c21 ZINC000082579364 343452498 /nfs/dbraw/zinc/45/24/98/343452498.db2.gz PXTKFRJWCRYFCU-LURJTMIESA-N 1 0 206.253 0.502 10 0 BCAERO C[C@H]1C[C@@H]1CNC(=O)C1(C[NH3+])CCOCC1 ZINC000166851765 136364044 /nfs/dbraw/zinc/36/40/44/136364044.db2.gz WMJUFYIXZOZRJZ-VHSXEESVSA-N 1 0 226.320 0.514 10 0 BCAERO Cc1nccc(C[NH2+][C@H](C)CN2CCCC2=O)n1 ZINC000054790747 136372987 /nfs/dbraw/zinc/37/29/87/136372987.db2.gz ZMVSWLXRCHGJOZ-SNVBAGLBSA-N 1 0 248.330 0.886 10 0 BCAERO [NH3+][C@H](C(=O)N[C@@H]1CCCOC1)C1CCC1 ZINC000335654669 136376294 /nfs/dbraw/zinc/37/62/94/136376294.db2.gz YKRFDYKCNPKQNA-ZJUUUORDSA-N 1 0 212.293 0.409 10 0 BCAERO Cc1cnc(N2C[C@@H](C)[NH2+]C[C@@H]2C)nc1 ZINC000083118999 343473660 /nfs/dbraw/zinc/47/36/60/343473660.db2.gz WOJPFNJIPNVCMQ-ZJUUUORDSA-N 1 0 206.293 0.972 10 0 BCAERO C[C@H](C[NH3+])CNc1ccnc(N(C)C)n1 ZINC000083387519 343480114 /nfs/dbraw/zinc/48/01/14/343480114.db2.gz SHOJCXHMGOWONV-MRVPVSSYSA-N 1 0 209.297 0.549 10 0 BCAERO CC(C)(O)C[NH2+]C[C@H](O)COCC1CC1 ZINC000083464511 343486884 /nfs/dbraw/zinc/48/68/84/343486884.db2.gz DZHAGPSRLSPTMA-JTQLQIEISA-N 1 0 217.309 0.134 10 0 BCAERO C[C@H]([NH3+])CCNc1ccnc(N(C)C)n1 ZINC000082924379 343471869 /nfs/dbraw/zinc/47/18/69/343471869.db2.gz AEBWINPKINXOQA-QMMMGPOBSA-N 1 0 209.297 0.692 10 0 BCAERO OCC[N@@H+]1CCO[C@H](n2ccnc2)CC1 ZINC000616665766 343534041 /nfs/dbraw/zinc/53/40/41/343534041.db2.gz WMLGLGHJIZHRBE-JTQLQIEISA-N 1 0 211.265 0.096 10 0 BCAERO C[C@@H]1CN(C(=O)CC[C@@H]2CCOC2)C[C@H]1[NH3+] ZINC000401563553 343564453 /nfs/dbraw/zinc/56/44/53/343564453.db2.gz ORNVHZUJHGNRAN-GMTAPVOTSA-N 1 0 226.320 0.609 10 0 BCAERO COC1CCC([NH2+][C@H]2CCOC[C@H]2O)CC1 ZINC000624238673 343585707 /nfs/dbraw/zinc/58/57/07/343585707.db2.gz WFLMRJUSTVWXLF-MMVSWEMESA-N 1 0 229.320 0.683 10 0 BCAERO C[NH2+][C@H](C)C(=O)N1CCN(c2ccccn2)CC1 ZINC000052395884 343600823 /nfs/dbraw/zinc/60/08/23/343600823.db2.gz ZAMWLFFLAFCLOY-LLVKDONJSA-N 1 0 248.330 0.338 10 0 BCAERO CCn1nccc1[C@@H]1NC(=O)CC[C@H]1[NH3+] ZINC000164980247 259366426 /nfs/dbraw/zinc/36/64/26/259366426.db2.gz JFGHZVHVSATLDV-GMSGAONNSA-N 1 0 208.265 0.181 10 0 BCAERO CC[N@@H+]1CCC[C@H]1CN(C)CC(=O)OC ZINC000086189123 343614107 /nfs/dbraw/zinc/61/41/07/343614107.db2.gz MHVAUOGGSKMLKS-JTQLQIEISA-N 1 0 214.309 0.576 10 0 BCAERO Cc1ccc(C[NH3+])c(N(C)C[C@H](C)O)n1 ZINC000051816714 178558952 /nfs/dbraw/zinc/55/89/52/178558952.db2.gz LZMSIRSQIURCOP-VIFPVBQESA-N 1 0 209.293 0.666 10 0 BCAERO Cc1ccc(C[NH3+])c(N2CCC[C@@H]2CO)n1 ZINC000043395795 178561920 /nfs/dbraw/zinc/56/19/20/178561920.db2.gz RULTXHGVWJSCLL-LLVKDONJSA-N 1 0 221.304 0.810 10 0 BCAERO COC(=O)[C@H]1C[N@@H+]([C@@H](C)C(C)C)CCO1 ZINC000319554663 343631073 /nfs/dbraw/zinc/63/10/73/343631073.db2.gz JYQNHWCXIKSZGZ-VHSXEESVSA-N 1 0 215.293 0.905 10 0 BCAERO C[C@@]1(CNC(=O)[C@@H]2CC[NH2+]C2)CCCS1 ZINC000087796642 343660612 /nfs/dbraw/zinc/66/06/12/343660612.db2.gz FCJWIYSZZKEEOE-KOLCDFICSA-N 1 0 228.361 0.998 10 0 BCAERO [NH3+]C[C@H]1CCCN1C(=O)CC(F)(F)F ZINC000082590095 133503190 /nfs/dbraw/zinc/50/31/90/133503190.db2.gz AMPOLHZUQJAXTD-ZCFIWIBFSA-N 1 0 210.199 0.889 10 0 BCAERO OC[C@@H](c1nccs1)N1CC[NH2+]CC1 ZINC000145277430 343707658 /nfs/dbraw/zinc/70/76/58/343707658.db2.gz MJTKUMNYFJPFAX-QMMMGPOBSA-N 1 0 213.306 0.082 10 0 BCAERO COC[C@H]([NH3+])C(=O)Nc1ccccc1O ZINC000088004525 343687950 /nfs/dbraw/zinc/68/79/50/343687950.db2.gz RDQZSWLXIRLKQB-ZETCQYMHSA-N 1 0 210.233 0.304 10 0 BCAERO COC[C@@H]([NH3+])C(=O)Nc1cc(C)ccn1 ZINC000088002534 343689593 /nfs/dbraw/zinc/68/95/93/343689593.db2.gz MSFKZMQFGBVAMH-MRVPVSSYSA-N 1 0 209.249 0.302 10 0 BCAERO COC[C@H]([NH3+])C(=O)NC(C)(C)C(C)C ZINC000380293603 343720895 /nfs/dbraw/zinc/72/08/95/343720895.db2.gz CCGISQLPABYVQR-QMMMGPOBSA-N 1 0 202.298 0.511 10 0 BCAERO C[C@@H](CO)NC(=O)[C@@]1(C)CCC[C@H]1[NH3+] ZINC000227288383 343723940 /nfs/dbraw/zinc/72/39/40/343723940.db2.gz JPNVGIMDGZGNSX-XKSSXDPKSA-N 1 0 200.282 0.001 10 0 BCAERO CC[C@@H]([NH2+][C@H](CO)c1ccccc1)C(N)=O ZINC000063002179 343747439 /nfs/dbraw/zinc/74/74/39/343747439.db2.gz HVPQJVMHHMTEDK-GHMZBOCLSA-N 1 0 222.288 0.574 10 0 BCAERO [NH3+]CC(=O)[C@H]1CCO[C@@]2(CCSC2)C1 ZINC000167762214 346965839 /nfs/dbraw/zinc/96/58/39/346965839.db2.gz GRNIRPRDUBUTRO-WPRPVWTQSA-N 1 0 215.318 0.817 10 0 BCAERO c1cnc(N2CC[C@@H]3[NH2+]CC[C@H]3C2)cn1 ZINC000253182952 343796317 /nfs/dbraw/zinc/79/63/17/343796317.db2.gz JKWBOTHPAFWJIV-UWVGGRQHSA-N 1 0 204.277 0.665 10 0 BCAERO [NH2+]=C(N[C@@H]1CCS(=O)(=O)C1)C1CC1 ZINC000062988977 349868303 /nfs/dbraw/zinc/86/83/03/349868303.db2.gz DKGPCPSIYXTAME-SSDOTTSWSA-N 1 0 202.279 0.150 10 0 BCAERO C[C@H]1C[C@H](O)C[N@H+](CCOC2CCOCC2)C1 ZINC000625463309 343866576 /nfs/dbraw/zinc/86/65/76/343866576.db2.gz ANYOGSYQYSHTEF-RYUDHWBXSA-N 1 0 243.347 0.885 10 0 BCAERO Cc1nn(C)c(Cl)c1C[C@@H](O)C[NH3+] ZINC000135141430 343943042 /nfs/dbraw/zinc/94/30/42/343943042.db2.gz JAKNNXJZKBSXDZ-ZCFIWIBFSA-N 1 0 203.673 0.244 10 0 BCAERO Cc1cc(S(N)(=O)=O)cc(C[NH3+])c1F ZINC000159090796 347020922 /nfs/dbraw/zinc/02/09/22/347020922.db2.gz TVRHHRWJBLJZJO-UHFFFAOYSA-N 1 0 218.253 0.240 10 0 BCAERO CC[NH2+][C@H](C)CNc1nc(CC)ns1 ZINC000387698124 347025435 /nfs/dbraw/zinc/02/54/35/347025435.db2.gz WQGXDYLQXPHYDY-SSDOTTSWSA-N 1 0 214.338 0.932 10 0 BCAERO Cc1n[nH]cc1C[NH2+][C@@H]1CCCN(CCO)C1 ZINC000395085079 344064782 /nfs/dbraw/zinc/06/47/82/344064782.db2.gz XRXYRMGYWHGZDX-GFCCVEGCSA-N 1 0 238.335 0.264 10 0 BCAERO Cc1cc(CNC(=O)[C@]23CCC[C@H]2C[NH2+]C3)no1 ZINC000634741115 344163456 /nfs/dbraw/zinc/16/34/56/344163456.db2.gz SPPZCFKAKOXOAA-GWCFXTLKSA-N 1 0 249.314 0.989 10 0 BCAERO C[NH+]1CCC(C(=O)N2C[C@H]3CC[C@@]3([NH3+])C2)CC1 ZINC000616571114 344178489 /nfs/dbraw/zinc/17/84/89/344178489.db2.gz DWWZXDJZJTUHJY-DGCLKSJQSA-N 1 0 237.347 0.278 10 0 BCAERO CC[C@@H]1CC[NH2+]C[C@@H]1NC(=O)COC ZINC000616569089 344169599 /nfs/dbraw/zinc/16/95/99/344169599.db2.gz GEDBFFHELBWERV-BDAKNGLRSA-N 1 0 200.282 0.137 10 0 BCAERO CC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C(F)(F)F ZINC000616570225 344171839 /nfs/dbraw/zinc/17/18/39/344171839.db2.gz FOMNDTMPAWOGER-NKWVEPMBSA-N 1 0 210.199 0.663 10 0 BCAERO O[C@H]1CCC[N@H+](C[C@H]2CCOCO2)C1 ZINC000227371742 344123857 /nfs/dbraw/zinc/12/38/57/344123857.db2.gz VFVGVULFBZQQKO-VHSXEESVSA-N 1 0 201.266 0.206 10 0 BCAERO COc1ccc([C@@H](O)C[NH3+])nc1Br ZINC000220285679 344134855 /nfs/dbraw/zinc/13/48/55/344134855.db2.gz BTNVASSFDJLZEA-LURJTMIESA-N 1 0 247.092 0.845 10 0 BCAERO CCOCCNC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634737082 344135535 /nfs/dbraw/zinc/13/55/35/344135535.db2.gz IELGVISFKDLWDU-JQWIXIFHSA-N 1 0 226.320 0.529 10 0 BCAERO CCCN(C(=O)c1nc[nH]n1)[C@@H]1CC[NH2+]C1 ZINC000082504935 344156126 /nfs/dbraw/zinc/15/61/26/344156126.db2.gz GFVHSJKCBAWSLB-MRVPVSSYSA-N 1 0 223.280 0.019 10 0 BCAERO CN(C(=O)[C@]12CCC[C@H]1C[NH2+]C2)C1CC1 ZINC000634739727 344162046 /nfs/dbraw/zinc/16/20/46/344162046.db2.gz DGUPBKUOWYYDEL-CABZTGNLSA-N 1 0 208.305 0.997 10 0 BCAERO CCCC[C@H]([NH3+])c1nnc2c(=O)n(C)ccn21 ZINC000616574127 344185983 /nfs/dbraw/zinc/18/59/83/344185983.db2.gz OTJACGBRJNRSIX-QMMMGPOBSA-N 1 0 235.291 0.618 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)N2CCC[C@H](C[NH3+])C2)O1 ZINC000088140288 344238013 /nfs/dbraw/zinc/23/80/13/344238013.db2.gz FOWSWVFFEMVQKN-GMTAPVOTSA-N 1 0 226.320 0.751 10 0 BCAERO [NH3+][C@@H]1CC[C@H](C(=O)NCCn2cccn2)C1 ZINC000085012112 344201193 /nfs/dbraw/zinc/20/11/93/344201193.db2.gz ODLYGOXPCKOXOT-VHSXEESVSA-N 1 0 222.292 0.127 10 0 BCAERO COC(=O)CCN1C[C@H](C)[NH2+]C[C@@H]1C ZINC000083118744 133517521 /nfs/dbraw/zinc/51/75/21/133517521.db2.gz POCNRFKLQKWXCD-IUCAKERBSA-N 1 0 200.282 0.232 10 0 BCAERO COC[C@H]([NH3+])C(=O)NC[C@H]1CC2CCC1CC2 ZINC000400066817 344271365 /nfs/dbraw/zinc/27/13/65/344271365.db2.gz JKRJGPIUVMKWJM-HCWSGVFWSA-N 1 0 240.347 0.903 10 0 BCAERO C[C@@H]([NH3+])Cn1cncc(Br)c1=O ZINC000222864684 344272335 /nfs/dbraw/zinc/27/23/35/344272335.db2.gz BTYLWFHBPHZAFI-RXMQYKEDSA-N 1 0 232.081 0.353 10 0 BCAERO Cc1ncc(Br)c(=O)n1C[C@@H](C)[NH3+] ZINC000222865181 344272545 /nfs/dbraw/zinc/27/25/45/344272545.db2.gz JINKCJKIAVJHSQ-RXMQYKEDSA-N 1 0 246.108 0.661 10 0 BCAERO O=C(NCCc1ncc[nH]1)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634768691 344280515 /nfs/dbraw/zinc/28/05/15/344280515.db2.gz UPSMEUVORHUGGZ-GWCFXTLKSA-N 1 0 248.330 0.458 10 0 BCAERO COC(=O)CCCN(C)C(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000091539432 344281802 /nfs/dbraw/zinc/28/18/02/344281802.db2.gz JIPMTLMNPLZKHJ-ZJUUUORDSA-N 1 0 242.319 0.525 10 0 BCAERO C[C@@H](NC(=O)[C@]12CCC[C@H]1C[NH2+]C2)c1nc[nH]n1 ZINC000634769533 344283454 /nfs/dbraw/zinc/28/34/54/344283454.db2.gz DVIVSYPAIVSBSO-PTRXPTGYSA-N 1 0 249.318 0.372 10 0 BCAERO C[C@@H]1CN(C(=O)[C@]23CCC[C@H]2OCC3)C[C@@H]1[NH3+] ZINC000634771139 344285696 /nfs/dbraw/zinc/28/56/96/344285696.db2.gz JTUGBEMKGYFJGD-XZUYRWCXSA-N 1 0 238.331 0.751 10 0 BCAERO O=C(NCCCCO)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634772128 344287623 /nfs/dbraw/zinc/28/76/23/344287623.db2.gz WJMVLKWZOKYHPF-JQWIXIFHSA-N 1 0 226.320 0.265 10 0 BCAERO Cn1nnc(Br)c1C(C)(C)C[NH3+] ZINC000236078405 344295147 /nfs/dbraw/zinc/29/51/47/344295147.db2.gz JUZDAEPPJRYEEM-UHFFFAOYSA-N 1 0 233.113 0.814 10 0 BCAERO C[C@H]1C[C@H]([NH3+])CN1c1ccc(C(=O)N(C)C)cn1 ZINC000385080688 344320577 /nfs/dbraw/zinc/32/05/77/344320577.db2.gz GQKYWFKUJHUKGI-ONGXEEELSA-N 1 0 248.330 0.709 10 0 BCAERO C[C@@H]1C[C@@H]([NH3+])CN1c1ccc(C(=O)N(C)C)cn1 ZINC000385080686 344320597 /nfs/dbraw/zinc/32/05/97/344320597.db2.gz GQKYWFKUJHUKGI-MWLCHTKSSA-N 1 0 248.330 0.709 10 0 BCAERO COc1cc(OC)nc(N2C[C@H]([NH3+])C[C@@H]2C)n1 ZINC000385188137 344366372 /nfs/dbraw/zinc/36/63/72/344366372.db2.gz LOYFWGZRLXVOAK-JGVFFNPUSA-N 1 0 238.291 0.420 10 0 BCAERO C[C@@H]1C[C@H]([NH3+])CN1c1ccc2nccnc2n1 ZINC000385163241 344356553 /nfs/dbraw/zinc/35/65/53/344356553.db2.gz CEDRTRAFVFOZAL-BDAKNGLRSA-N 1 0 229.287 0.951 10 0 BCAERO CCOc1cncc(N2C[C@@H]([NH3+])C[C@@H]2C)n1 ZINC000385230293 344380049 /nfs/dbraw/zinc/38/00/49/344380049.db2.gz IYWIERMVHRHQEF-IUCAKERBSA-N 1 0 222.292 0.801 10 0 BCAERO CCOc1cc(N2C[C@@H]([NH3+])C[C@@H]2C)ncn1 ZINC000385282587 344387342 /nfs/dbraw/zinc/38/73/42/344387342.db2.gz WCJWPXODBXNLQG-IUCAKERBSA-N 1 0 222.292 0.801 10 0 BCAERO C[C@@H]1CN(C(=O)[C@H]2COc3ccccc32)C[C@H]1[NH3+] ZINC000300093739 344388854 /nfs/dbraw/zinc/38/88/54/344388854.db2.gz XFYOMMXJVRRBDW-ADEWGFFLSA-N 1 0 246.310 0.968 10 0 BCAERO CCC[C@H]([NH3+])C(=O)NCCCC(=O)OC ZINC000040832162 344396919 /nfs/dbraw/zinc/39/69/19/344396919.db2.gz PPZNEDZRTYBJFU-QMMMGPOBSA-N 1 0 216.281 0.183 10 0 BCAERO CO[C@@H]1C[NH2+][C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000041058778 344416914 /nfs/dbraw/zinc/41/69/14/344416914.db2.gz MEJMFLDMERFNEI-YUMQZZPRSA-N 1 0 208.265 0.732 10 0 BCAERO CSCCNC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000085013365 344494496 /nfs/dbraw/zinc/49/44/96/344494496.db2.gz FJYGJDCIBXNDOP-SFYZADRCSA-N 1 0 202.323 0.593 10 0 BCAERO N#Cc1cccc(C[NH2+][C@@H]2CCNC2=O)c1 ZINC000381482233 344511466 /nfs/dbraw/zinc/51/14/66/344511466.db2.gz FKALTYSRRKBYAG-LLVKDONJSA-N 1 0 215.256 0.536 10 0 BCAERO C[C@H](Cc1ccccc1)[NH2+]C[C@@H](O)CO ZINC000085246438 344512989 /nfs/dbraw/zinc/51/29/89/344512989.db2.gz DNSFGWHXSSHUKJ-ZYHUDNBSSA-N 1 0 209.289 0.560 10 0 BCAERO CC[C@H](CN)[N@@H+]1CCC[C@@](C)(O)CC1 ZINC000230347365 344528613 /nfs/dbraw/zinc/52/86/13/344528613.db2.gz BCIWFAFNWBJPQZ-GHMZBOCLSA-N 1 0 200.326 0.961 10 0 BCAERO C[C@@H](CC(N)=O)NC1=[NH+]C[C@H](C)CS1 ZINC000220576140 344553994 /nfs/dbraw/zinc/55/39/94/344553994.db2.gz JPXOJJUKWVDQJN-BQBZGAKWSA-N 1 0 215.322 0.579 10 0 BCAERO COC(=O)[C@H](NC[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC000225829817 344564956 /nfs/dbraw/zinc/56/49/56/344564956.db2.gz YUIICVUZXBZLAE-WDEREUQCSA-N 1 0 226.320 0.622 10 0 BCAERO C[NH2+]C[C@H]1C[C@H](F)CN1Cc1noc(C)n1 ZINC000309413870 347057566 /nfs/dbraw/zinc/05/75/66/347057566.db2.gz GOPMEIBTYUOAEH-DTWKUNHWSA-N 1 0 228.271 0.510 10 0 BCAERO CC(C)(C)OC(=O)NCCNC[C@H]1CCC[NH2+]1 ZINC000227604333 344583865 /nfs/dbraw/zinc/58/38/65/344583865.db2.gz IAUJZOHDQJAMPU-SNVBAGLBSA-N 1 0 243.351 0.853 10 0 BCAERO C[NH2+]C[C@H]1C[C@@H](F)CN1Cc1noc(C)n1 ZINC000309413872 347057628 /nfs/dbraw/zinc/05/76/28/347057628.db2.gz GOPMEIBTYUOAEH-RKDXNWHRSA-N 1 0 228.271 0.510 10 0 BCAERO CC1(C)C[C@@]2(CO1)[NH2+]CCc1nc[nH]c12 ZINC000400372443 537853517 /nfs/dbraw/zinc/85/35/17/537853517.db2.gz CQIBMTDRWNHXRI-NSHDSACASA-N 1 0 207.277 0.950 10 0 BCAERO CCOC(=O)C[C@@H](O)C[N@@H+]1CCS[C@@H](C)C1 ZINC000220984370 344655271 /nfs/dbraw/zinc/65/52/71/344655271.db2.gz KSZZTXJQGFWXAM-VHSXEESVSA-N 1 0 247.360 0.738 10 0 BCAERO O=C1C=CC2C(=C1)O[C@@H]1CC(=O)C=C[C@@H]1[N+]2=O ZINC000044171939 344668890 /nfs/dbraw/zinc/66/88/90/344668890.db2.gz LLRYFYIDXFZMBA-GXSJLCMTSA-N 1 0 231.207 0.740 10 0 BCAERO CC[C@H](C(N)=S)[N@@H+]1CCO[C@@H](C)C1 ZINC000221294134 344724238 /nfs/dbraw/zinc/72/42/38/344724238.db2.gz CAMLQZGFKGIPNH-JGVFFNPUSA-N 1 0 202.323 0.772 10 0 BCAERO CC[C@@](C)(O)C[N@H+](C)C[C@H]1C[C@@H](O)C1 ZINC000626046446 344697254 /nfs/dbraw/zinc/69/72/54/344697254.db2.gz CVUFJJJGFYQFKH-OUAUKWLOSA-N 1 0 201.310 0.850 10 0 BCAERO CC[C@](C)(O)C[N@H+](C)C[C@H]1C[C@@H](O)C1 ZINC000626046445 344697265 /nfs/dbraw/zinc/69/72/65/344697265.db2.gz CVUFJJJGFYQFKH-AXFHLTTASA-N 1 0 201.310 0.850 10 0 BCAERO CCCCOC[C@@H](O)C[N@H+](C)C[C@H]1C[C@@H](O)C1 ZINC000626046359 344697348 /nfs/dbraw/zinc/69/73/48/344697348.db2.gz ADQRENLWIPLNDM-XQQFMLRXSA-N 1 0 245.363 0.867 10 0 BCAERO O[C@@]1(COc2cccc(F)c2)CC[NH2+]C1 ZINC000230458808 344700266 /nfs/dbraw/zinc/70/02/66/344700266.db2.gz ZJYFYPJSYSJBPN-NSHDSACASA-N 1 0 211.236 0.929 10 0 BCAERO CCOC(=O)CC[N@H+](C)[C@H]1CCC[C@@H]1O ZINC000050067186 344719048 /nfs/dbraw/zinc/71/90/48/344719048.db2.gz HZGIVDMFPXEVJE-UWVGGRQHSA-N 1 0 215.293 0.785 10 0 BCAERO COC(=O)[C@@H](C)C[N@H+](C)CC(C)(C)O ZINC000050068825 344719127 /nfs/dbraw/zinc/71/91/27/344719127.db2.gz UMLWIZPWVQDKGE-QMMMGPOBSA-N 1 0 203.282 0.498 10 0 BCAERO C[C@@H](CC(F)(F)F)N1C[C@H]([NH3+])CC1=O ZINC000235092334 344782377 /nfs/dbraw/zinc/78/23/77/344782377.db2.gz CJPUXUYCQMLJMA-NTSWFWBYSA-N 1 0 210.199 0.887 10 0 BCAERO C[C@@H](C[N@@H+]1CC[C@@](C)(O)C1)C(N)=S ZINC000235134402 344805956 /nfs/dbraw/zinc/80/59/56/344805956.db2.gz HAALFFALPNGZPP-IONNQARKSA-N 1 0 202.323 0.365 10 0 BCAERO CCCNC(=O)NCC1([NH2+]C)CCOCC1 ZINC000675053331 537862894 /nfs/dbraw/zinc/86/28/94/537862894.db2.gz HZWNOJJZZDDYQB-UHFFFAOYSA-N 1 0 229.324 0.464 10 0 BCAERO CCc1nc(C)cn1[C@H](C)[C@@H]([NH3+])C(N)=O ZINC000715144529 537865270 /nfs/dbraw/zinc/86/52/70/537865270.db2.gz JSWMHWAPZFYOSG-VXNVDRBHSA-N 1 0 210.281 0.128 10 0 BCAERO C[C@@H](O)CC[N@@H+]1CCCN(C)C[C@@H]1C ZINC000235238440 344852966 /nfs/dbraw/zinc/85/29/66/344852966.db2.gz UDTDMODAYODPQD-WDEREUQCSA-N 1 0 200.326 0.783 10 0 BCAERO C[NH2+]C(C)(C)C(=O)Nc1cnns1 ZINC000166291627 344842862 /nfs/dbraw/zinc/84/28/62/344842862.db2.gz XMYWLEVNGZYPRF-UHFFFAOYSA-N 1 0 200.267 0.475 10 0 BCAERO COC[C@H]([NH3+])[C@@H]1C(=O)C(C)(C)OC1(C)C ZINC000166473757 344906682 /nfs/dbraw/zinc/90/66/82/344906682.db2.gz CPHBTSVGUNOCAB-JGVFFNPUSA-N 1 0 215.293 0.733 10 0 BCAERO c1ccn2c(c1)nnc2SC1C[NH2+]C1 ZINC000061407752 344930083 /nfs/dbraw/zinc/93/00/83/344930083.db2.gz CBBSJXNRFLSPLZ-UHFFFAOYSA-N 1 0 206.274 0.793 10 0 BCAERO C[C@H](C(N)=S)[N@@H+]1CCN(C)C[C@@H]1C ZINC000235650089 344963539 /nfs/dbraw/zinc/96/35/39/344963539.db2.gz HJTXLCKUAZRQLT-JGVFFNPUSA-N 1 0 201.339 0.297 10 0 BCAERO CCOC(=O)[C@H]([NH3+])CCn1ccc(C)n1 ZINC000070686478 537878967 /nfs/dbraw/zinc/87/89/67/537878967.db2.gz OOERLLGQYKJDHX-SECBINFHSA-N 1 0 211.265 0.472 10 0 BCAERO COC(C)(C)C(=O)C[C@@H]1COC[C@@H](C)[NH2+]1 ZINC000301023656 537879260 /nfs/dbraw/zinc/87/92/60/537879260.db2.gz QWZDNIUQWYLOAI-RKDXNWHRSA-N 1 0 215.293 0.748 10 0 BCAERO C[C@H]1C[C@H]1C[NH2+][C@H]1COC[C@H]1n1ccnn1 ZINC000378752517 344944449 /nfs/dbraw/zinc/94/44/49/344944449.db2.gz VWAAFIMRIYPUFG-XWLWVQCSSA-N 1 0 222.292 0.464 10 0 BCAERO CC[NH2+][C@H](Cn1ncc(Cl)c1C)C(N)=O ZINC000070704488 537881242 /nfs/dbraw/zinc/88/12/42/537881242.db2.gz HXVFHVSRVRKPET-MRVPVSSYSA-N 1 0 230.699 0.308 10 0 BCAERO COC[C@@H](C)C(=O)N(C)[C@@H]1CCC[N@H+](C)C1 ZINC000153924236 345002888 /nfs/dbraw/zinc/00/28/88/345002888.db2.gz KKLIGIIJGIPWOU-GHMZBOCLSA-N 1 0 228.336 0.822 10 0 BCAERO C[C@H](c1cnccn1)N1CCC[C@H]1C[NH3+] ZINC000248026067 345018819 /nfs/dbraw/zinc/01/88/19/345018819.db2.gz LPHKPXRBYYEFSD-ZJUUUORDSA-N 1 0 206.293 0.961 10 0 BCAERO CCCNS(=O)(=O)c1ccc(C[NH3+])cc1 ZINC000011849262 345032191 /nfs/dbraw/zinc/03/21/91/345032191.db2.gz OEULGAZLMWCTMT-UHFFFAOYSA-N 1 0 228.317 0.834 10 0 BCAERO CC(C)(C)OC[C@@H](O)C[N@@H+]1CC[C@](C)(O)C1 ZINC000177069906 534985482 /nfs/dbraw/zinc/98/54/82/534985482.db2.gz OSJLGOXTPPKDIA-JQWIXIFHSA-N 1 0 231.336 0.619 10 0 BCAERO C[C@@H]1CC[C@@H](C(=O)NCC[NH+](C)C)O1 ZINC000154951176 345060916 /nfs/dbraw/zinc/06/09/16/345060916.db2.gz RPSUFKCOFQRBFD-BDAKNGLRSA-N 1 0 200.282 0.232 10 0 BCAERO CC(C)n1c(=O)[nH]nc1SC1C[NH2+]C1 ZINC000061607113 345119206 /nfs/dbraw/zinc/11/92/06/345119206.db2.gz QSAAFAGPVFSVLL-UHFFFAOYSA-N 1 0 214.294 0.216 10 0 BCAERO CC[N@H+](C)[C@H]1CC2(CC[C@H]1O)OCCO2 ZINC000249911906 362577673 /nfs/dbraw/zinc/57/76/73/362577673.db2.gz ITRSHCJPSRSOHR-VHSXEESVSA-N 1 0 215.293 0.595 10 0 BCAERO CCC(=O)N1CCC(OC2C[NH2+]C2)CC1 ZINC000675054032 537890542 /nfs/dbraw/zinc/89/05/42/537890542.db2.gz BSTFMNCEUZJFFP-UHFFFAOYSA-N 1 0 212.293 0.376 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)N[C@@H]1CCSC1 ZINC000225490392 345156886 /nfs/dbraw/zinc/15/68/86/345156886.db2.gz LTKPNJAXLXMPAN-HTQZYQBOSA-N 1 0 202.323 0.736 10 0 BCAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@H](C)C[NH2+]C ZINC000245442175 345227972 /nfs/dbraw/zinc/22/79/72/345227972.db2.gz WBLLQMVUMVYPCV-NEPJUHHUSA-N 1 0 241.379 0.785 10 0 BCAERO Cc1ccc([C@@H](CO)N2CC[NH2+]CC2)s1 ZINC000041677346 178855653 /nfs/dbraw/zinc/85/56/53/178855653.db2.gz ARSZBYSZKZPDOV-SNVBAGLBSA-N 1 0 226.345 0.995 10 0 BCAERO Cc1nc(NCC(F)F)cc(NN)[nH+]1 ZINC000148239201 345368810 /nfs/dbraw/zinc/36/88/10/345368810.db2.gz UJCKKFSBPFULTP-UHFFFAOYSA-N 1 0 203.196 0.748 10 0 BCAERO C[C@@H]([NH2+]C[C@@H]1CNC(=O)O1)C1CCOCC1 ZINC000381336659 345385182 /nfs/dbraw/zinc/38/51/82/345385182.db2.gz VYFUGQYPZQDSOZ-PSASIEDQSA-N 1 0 228.292 0.500 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N(C)Cc1ccccc1F ZINC000159122594 345410758 /nfs/dbraw/zinc/41/07/58/345410758.db2.gz JQOILCJEPUOCFM-LLVKDONJSA-N 1 0 240.278 0.758 10 0 BCAERO CCn1ncnc1C[C@@H]1CSC[C@H]1[NH3+] ZINC000134572296 345415878 /nfs/dbraw/zinc/41/58/78/345415878.db2.gz PSIDKNUQDHSGOV-HTQZYQBOSA-N 1 0 212.322 0.531 10 0 BCAERO C[NH2+][C@H]1CSC[C@@H]1Cc1ncnn1C ZINC000134596568 345416800 /nfs/dbraw/zinc/41/68/00/345416800.db2.gz HNDDYQJBLHOTDQ-YUMQZZPRSA-N 1 0 212.322 0.309 10 0 BCAERO CC[C@@H]([NH3+])c1nc2c(c(=O)[nH]1)CSC2 ZINC000134654178 345418320 /nfs/dbraw/zinc/41/83/20/345418320.db2.gz MKUVTEKCYPDJPW-ZCFIWIBFSA-N 1 0 211.290 0.927 10 0 BCAERO CS[C@@H]1C[NH2+]C[C@@H]1N1CCSCC1 ZINC000134896581 345425364 /nfs/dbraw/zinc/42/53/64/345425364.db2.gz IRNFPNQQZNSREC-DTWKUNHWSA-N 1 0 218.391 0.739 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N(C)Cc1cccc(F)c1 ZINC000159591628 345444376 /nfs/dbraw/zinc/44/43/76/345444376.db2.gz YJBGCPNIIXFEAH-LLVKDONJSA-N 1 0 240.278 0.758 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N1CCC[C@@H]1c1ccncc1 ZINC000159625940 345449864 /nfs/dbraw/zinc/44/98/64/345449864.db2.gz CWEHPRNFHQEAPH-VXGBXAGGSA-N 1 0 249.314 0.719 10 0 BCAERO Cc1cc(NC(=O)[C@H]2CCC[NH2+]C2)nn1C ZINC000082248147 345498525 /nfs/dbraw/zinc/49/85/25/345498525.db2.gz HAQRYJGTKUOOPK-VIFPVBQESA-N 1 0 222.292 0.667 10 0 BCAERO COC(=O)N1C[C@@H](C[NH3+])OC(C)(C)C1 ZINC000158814948 345506495 /nfs/dbraw/zinc/50/64/95/345506495.db2.gz ZBTIDLDVDBHCGU-SSDOTTSWSA-N 1 0 202.254 0.191 10 0 BCAERO Nc1cc2c(cc1NC(=O)[C@H]1CC[NH2+]C1)OCO2 ZINC000159577505 345469881 /nfs/dbraw/zinc/46/98/81/345469881.db2.gz QXDGQYSXHZMLKU-ZETCQYMHSA-N 1 0 249.270 0.546 10 0 BCAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)NC ZINC000136075633 345473994 /nfs/dbraw/zinc/47/39/94/345473994.db2.gz BYHCOTSUQUTXTM-WDEREUQCSA-N 1 0 225.336 0.291 10 0 BCAERO CCN(CC1CC1)C(=O)[C@H]1C[C@@H](OC)C[NH2+]1 ZINC000068947052 349931727 /nfs/dbraw/zinc/93/17/27/349931727.db2.gz GADLPFQEQJIJPV-GHMZBOCLSA-N 1 0 226.320 0.622 10 0 BCAERO C[C@@H]1COC[C@@H](C)[NH+]1CC1(CO)COC1 ZINC000089129570 345549177 /nfs/dbraw/zinc/54/91/77/345549177.db2.gz XSWIKVMPPYHILR-NXEZZACHSA-N 1 0 215.293 0.105 10 0 BCAERO COC[C@@H]([NH3+])C(=O)NC[C@H](C)c1ccccc1 ZINC000159837770 345564962 /nfs/dbraw/zinc/56/49/62/345564962.db2.gz MABIOTGYPDJGTC-CMPLNLGQSA-N 1 0 236.315 0.880 10 0 BCAERO c1nc2c([nH]1)[C@@]1(CN3CCC1CC3)[NH2+]CC2 ZINC000403284631 537900883 /nfs/dbraw/zinc/90/08/83/537900883.db2.gz VGEAFPSXNRTIMN-LBPRGKRZSA-N 1 0 218.304 0.476 10 0 BCAERO Cc1cnc(N2CC[C@@H]3C[NH2+]C[C@@H]32)nc1 ZINC000213973348 345740845 /nfs/dbraw/zinc/74/08/45/345740845.db2.gz GVLBFZSTWWLGGN-ZJUUUORDSA-N 1 0 204.277 0.583 10 0 BCAERO CC(C)c1nnc(CN2CC[NH2+]CC2)n1C ZINC000221761362 345747445 /nfs/dbraw/zinc/74/74/45/345747445.db2.gz IOULVIPYLMQAFK-UHFFFAOYSA-N 1 0 223.324 0.344 10 0 BCAERO C[C@H]([NH3+])Cn1ncc2ccc3c(c21)C[C@H](O)CO3 ZINC000033976000 345814026 /nfs/dbraw/zinc/81/40/26/345814026.db2.gz CMXWVAVWKSWVHD-WPRPVWTQSA-N 1 0 247.298 0.679 10 0 BCAERO C[C@@H]([NH3+])Cc1[nH]nc2ccc3c(c21)C[C@H](O)CO3 ZINC000034028143 345815474 /nfs/dbraw/zinc/81/54/74/345815474.db2.gz BDBRDIOLDIDDBC-SFYZADRCSA-N 1 0 247.298 0.748 10 0 BCAERO CO[C@@H](C)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000163882959 345780935 /nfs/dbraw/zinc/78/09/35/345780935.db2.gz OIJYILMQJCFNPN-DTWKUNHWSA-N 1 0 200.282 0.280 10 0 BCAERO CC(C)(C)OC(=O)N1C[C@@H]([NH3+])CC12COC2 ZINC000218490677 345852094 /nfs/dbraw/zinc/85/20/94/345852094.db2.gz WNVJAHZTVFGIDW-QMMMGPOBSA-N 1 0 228.292 0.724 10 0 BCAERO NC(=O)C[N@@H+]1CCC[C@@H](c2ccccc2N)C1 ZINC000141332027 345860157 /nfs/dbraw/zinc/86/01/57/345860157.db2.gz ZPLARGPUEJDCIU-SNVBAGLBSA-N 1 0 233.315 0.934 10 0 BCAERO Cc1ccc([C@H]2COCCN2C(=O)[C@@H](C)[NH3+])o1 ZINC000157339244 178922648 /nfs/dbraw/zinc/92/26/48/178922648.db2.gz XSCAFXOEDQCJKR-NXEZZACHSA-N 1 0 238.287 0.835 10 0 BCAERO C[NH2+][C@@](C)(C[C@@H](C)n1cccn1)C(N)=O ZINC000082800452 537923448 /nfs/dbraw/zinc/92/34/48/537923448.db2.gz VSRAXZBKNVRPJM-SCZZXKLOSA-N 1 0 210.281 0.298 10 0 BCAERO Cc1ccc2c(c1)=C1CCCC[C@@]13CNCC[N+]=23 ZINC000575124679 346031775 /nfs/dbraw/zinc/03/17/75/346031775.db2.gz BADBXJBWTOTULX-MRXNPFEDSA-N 1 0 241.358 0.566 10 0 BCAERO Cc1ccc([C@@H]2[NH2+][C@@H](C)[C@@H](O)[C@H]2O)cc1 ZINC000095920551 346077515 /nfs/dbraw/zinc/07/75/15/346077515.db2.gz VSLJKQDKGOXAQN-IXLVHKGHSA-N 1 0 207.273 0.750 10 0 in-vitro BCAERO CCNC(=O)N[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000669371872 537948132 /nfs/dbraw/zinc/94/81/32/537948132.db2.gz CWJVCRMEOQIIPK-PHDIDXHHSA-N 1 0 225.214 0.456 10 0 BCAERO [NH3+]CC(=O)Nc1ncnc(Cl)c1Cl ZINC000236176004 346205323 /nfs/dbraw/zinc/20/53/23/346205323.db2.gz IJGXSSSYDKCLCW-UHFFFAOYSA-N 1 0 221.047 0.681 10 0 BCAERO C[NH+](C)[C@@H]1CCC[C@@H](S(N)(=O)=O)C1 ZINC000669375696 537955271 /nfs/dbraw/zinc/95/52/71/537955271.db2.gz RDZJZUSULODFDR-HTQZYQBOSA-N 1 0 206.311 0.148 10 0 BCAERO Cn1nnc(Br)c1[C@H](F)C[NH3+] ZINC000236129053 346193958 /nfs/dbraw/zinc/19/39/58/346193958.db2.gz RLQSXKSPCUOCGK-GSVOUGTGSA-N 1 0 223.049 0.547 10 0 BCAERO Cn1nnc(Br)c1C(=O)C(C)(C)[NH3+] ZINC000236101916 346196069 /nfs/dbraw/zinc/19/60/69/346196069.db2.gz OTBPNORXHFKPLS-UHFFFAOYSA-N 1 0 247.096 0.498 10 0 BCAERO Cn1nnc(Br)c1[C@](C)(F)C[NH3+] ZINC000236143310 346197337 /nfs/dbraw/zinc/19/73/37/346197337.db2.gz CZNSNZDSDUGHSJ-ZCFIWIBFSA-N 1 0 237.076 0.721 10 0 BCAERO CNS(=O)(=O)[C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000669375938 537959674 /nfs/dbraw/zinc/95/96/74/537959674.db2.gz ZERGUBBKWBMKAM-HRDYMLBCSA-N 1 0 220.338 0.264 10 0 BCAERO Cn1nc(Br)cc1[C@H](O)CC[NH3+] ZINC000669377474 537964692 /nfs/dbraw/zinc/96/46/92/537964692.db2.gz QWOSBJMKECXSQO-ZCFIWIBFSA-N 1 0 234.097 0.565 10 0 BCAERO C[C@@H]([C@@H]1CCCCC[NH2+]1)S(C)(=O)=O ZINC000167641045 346293634 /nfs/dbraw/zinc/29/36/34/346293634.db2.gz RKWWACDBNQRUPG-IUCAKERBSA-N 1 0 205.323 0.952 10 0 BCAERO CO[C@H](C)CN1C[C@@H]([NH3+])[C@@H](C)CC1=O ZINC000167649383 346297567 /nfs/dbraw/zinc/29/75/67/346297567.db2.gz FBBGANWBWVJIFB-DJLDLDEBSA-N 1 0 200.282 0.217 10 0 BCAERO Cc1cccc(C)c1CN1CCOC[C@@H]1C(N)=O ZINC000092229434 179034596 /nfs/dbraw/zinc/03/45/96/179034596.db2.gz GDTRLBDMCHCDBO-CYBMUJFWSA-N 1 0 248.326 0.990 10 0 BCAERO CCOC(=O)CN1CC[C@@H](CCO)C1 ZINC000161602078 346340871 /nfs/dbraw/zinc/34/08/71/346340871.db2.gz ITOIYBQENLNCKQ-VIFPVBQESA-N 1 0 201.266 0.254 10 0 BCAERO CC(=O)CC(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000157903840 346388206 /nfs/dbraw/zinc/38/82/06/346388206.db2.gz NBZVXCHWAGPGQG-WCBMZHEXSA-N 1 0 212.293 0.564 10 0 BCAERO C[N@H+](C[C@@H]1C[NH2+]C[C@@H](C(=O)[O-])C1)C1CC1 ZINC000669378744 537973809 /nfs/dbraw/zinc/97/38/09/537973809.db2.gz KWBJUSQRKZHMFP-IUCAKERBSA-N 1 0 212.293 0.391 10 0 BCAERO O=C([O-])[C@H]1C[NH2+]C[C@H](C[NH+]2CCCC2)C1 ZINC000669378735 537973216 /nfs/dbraw/zinc/97/32/16/537973216.db2.gz KIBACNSNKNILJM-NXEZZACHSA-N 1 0 212.293 0.393 10 0 BCAERO COC[C@@H](C)C[N@@H+]1CCC[C@@H](NC(C)=O)C1 ZINC000249198370 537974238 /nfs/dbraw/zinc/97/42/38/537974238.db2.gz SAOSFVYFQQXSDJ-CMPLNLGQSA-N 1 0 228.336 0.869 10 0 BCAERO COC(=O)CN[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000725241378 537978779 /nfs/dbraw/zinc/97/87/79/537978779.db2.gz DXYMFEJVMMNNGD-UWVGGRQHSA-N 1 0 212.293 0.376 10 0 BCAERO Cc1cccc(C[N@@H+]2C[C@@H](O)C[C@@H]2CO)c1 ZINC000179179892 179085157 /nfs/dbraw/zinc/08/51/57/179085157.db2.gz QJKCPHUXIDPLMI-OLZOCXBDSA-N 1 0 221.300 0.923 10 0 BCAERO Cc1cccc(CN2C[C@H]([NH3+])CC2=O)n1 ZINC000051577582 179083650 /nfs/dbraw/zinc/08/36/50/179083650.db2.gz CKWPKTXHEHMIFH-SECBINFHSA-N 1 0 205.261 0.450 10 0 BCAERO COCCN(CC[NH3+])C(=O)N[C@@H](C)C(C)C ZINC000725241781 537980594 /nfs/dbraw/zinc/98/05/94/537980594.db2.gz POSVNHXKGIMJDC-JTQLQIEISA-N 1 0 231.340 0.648 10 0 BCAERO COC(=O)[C@H](C)N[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000725241820 537980796 /nfs/dbraw/zinc/98/07/96/537980796.db2.gz RBBKAZZFIGUPSC-AXFHLTTASA-N 1 0 226.320 0.764 10 0 BCAERO C[C@](CC[NH3+])(NC(=O)C1CC1)C(F)F ZINC000669379573 537981019 /nfs/dbraw/zinc/98/10/19/537981019.db2.gz FRZXITQSIHDPHH-SECBINFHSA-N 1 0 206.236 0.885 10 0 BCAERO COCCNC(=O)N1CCC[NH2+]CC12CC2 ZINC000725241801 537981313 /nfs/dbraw/zinc/98/13/13/537981313.db2.gz QJPXBULOEWAOIK-UHFFFAOYSA-N 1 0 227.308 0.170 10 0 BCAERO CC(C)[C@@H](C)NC(=O)NC12CC([NH3+])(C1)C2 ZINC000725241765 537981381 /nfs/dbraw/zinc/98/13/81/537981381.db2.gz PFWDAYRAOXNDMT-MFAVDMRSSA-N 1 0 211.309 0.964 10 0 BCAERO CC(=O)N[C@@H]1C[C@]2(C[NH2+][C@H]2C(C)C)C[C@H]1O ZINC000669379792 537981960 /nfs/dbraw/zinc/98/19/60/537981960.db2.gz DEVWVSJBDJAHRV-WISYIIOYSA-N 1 0 226.320 0.260 10 0 BCAERO C[C@H](C(=O)[O-])[C@H](C)[N@@H+]1CCC[C@@H]([NH3+])C1 ZINC000222011924 349969914 /nfs/dbraw/zinc/96/99/14/349969914.db2.gz DZOOJMYUUDSKBO-XHNCKOQMSA-N 1 0 200.282 0.519 10 0 BCAERO CC(C)S(=O)(=O)N1CCC[NH2+]C2(CC2)C1 ZINC000725241875 537982388 /nfs/dbraw/zinc/98/23/88/537982388.db2.gz UYGQLHHRFGIDHT-UHFFFAOYSA-N 1 0 232.349 0.553 10 0 BCAERO C[C@@H]1CN(C(=O)[C@@H]2CC[NH2+]C2)C[C@@H](C)S1 ZINC000069909785 349968498 /nfs/dbraw/zinc/96/84/98/349968498.db2.gz ABDADARGXSJZLK-OPRDCNLKSA-N 1 0 228.361 0.948 10 0 BCAERO CC[C@H](O)c1cn([C@@H]2CC[C@H]([NH3+])C2)nn1 ZINC000669380030 537983969 /nfs/dbraw/zinc/98/39/69/537983969.db2.gz FYDMSBFMWBZULT-XKSSXDPKSA-N 1 0 210.281 0.774 10 0 BCAERO COC[C@H](C[NH2+][C@@H]1CCCC[C@H]1O)OC ZINC000300379111 346531047 /nfs/dbraw/zinc/53/10/47/346531047.db2.gz SLXSXCRWEHKMMV-HBNTYKKESA-N 1 0 217.309 0.541 10 0 BCAERO CC[C@](C)(O)c1cn([C@@H]2CC[C@H]([NH3+])C2)nn1 ZINC000669379779 537982837 /nfs/dbraw/zinc/98/28/37/537982837.db2.gz COORAXJIXUBSNG-NGZCFLSTSA-N 1 0 224.308 0.948 10 0 BCAERO CC[C@@](C)(O)c1cn([C@@H]2CC[C@H]([NH3+])C2)nn1 ZINC000669379778 537982901 /nfs/dbraw/zinc/98/29/01/537982901.db2.gz COORAXJIXUBSNG-IQJOONFLSA-N 1 0 224.308 0.948 10 0 BCAERO CCN1CC[NH2+][C@@H]2CC[C@H](OC(C)C)N[C@H]21 ZINC000669380058 537983925 /nfs/dbraw/zinc/98/39/25/537983925.db2.gz HDLBIUZTDBYXLV-WOPDTQHZSA-N 1 0 227.352 0.741 10 0 BCAERO CC(C)(C)[C@H]([NH3+])C(=O)N1CCCCO1 ZINC000164305389 346599925 /nfs/dbraw/zinc/59/99/25/346599925.db2.gz RVJUBSPMJNMGJI-MRVPVSSYSA-N 1 0 200.282 0.914 10 0 BCAERO CCN1CC[NH2+][C@@H]2CC[C@@H](OC(C)C)N[C@H]21 ZINC000669380057 537984785 /nfs/dbraw/zinc/98/47/85/537984785.db2.gz HDLBIUZTDBYXLV-UTUOFQBUSA-N 1 0 227.352 0.741 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N1CCC(SC)CC1 ZINC000300923046 346663315 /nfs/dbraw/zinc/66/33/15/346663315.db2.gz YXLAUTJSUQNYQK-SECBINFHSA-N 1 0 232.349 0.314 10 0 BCAERO COC[C@H](C)C[NH2+][C@@H]1CCc2ncnn2C1 ZINC000187836248 346627822 /nfs/dbraw/zinc/62/78/22/346627822.db2.gz BAXLRACJBGNONN-NXEZZACHSA-N 1 0 224.308 0.465 10 0 BCAERO CC[N@@H+]1CCC[C@@H](NC(=O)CCC(C)=O)C1 ZINC000203579167 346639860 /nfs/dbraw/zinc/63/98/60/346639860.db2.gz GTDLTKSATJGOAQ-LLVKDONJSA-N 1 0 226.320 0.956 10 0 BCAERO CC1(C)C[N@@H+]([C@@H]2CCOC2)C[C@@H](CO)O1 ZINC000158730176 346694739 /nfs/dbraw/zinc/69/47/39/346694739.db2.gz LKDDBQLJFIUEHN-ZJUUUORDSA-N 1 0 215.293 0.247 10 0 BCAERO FC(F)(F)c1noc(CC2C[NH2+]C2)n1 ZINC000149338640 346732821 /nfs/dbraw/zinc/73/28/21/346732821.db2.gz HVHKTTICNRXDMX-UHFFFAOYSA-N 1 0 207.155 0.850 10 0 BCAERO CC(C)([NH3+])CNC(=O)[C@]1(C)CCCO1 ZINC000168373447 346734527 /nfs/dbraw/zinc/73/45/27/346734527.db2.gz RZHRLRVHSZQALU-JTQLQIEISA-N 1 0 200.282 0.409 10 0 BCAERO CSCCC[N@@H+]1C[C@@H](O)C[C@@H]1CO ZINC000179174168 346735638 /nfs/dbraw/zinc/73/56/38/346735638.db2.gz JBPWEABNLYZMKT-BDAKNGLRSA-N 1 0 205.323 0.167 10 0 BCAERO COC[C@@H](C)C[NH2+][C@H]1CCCn2ncnc21 ZINC000188082138 346741164 /nfs/dbraw/zinc/74/11/64/346741164.db2.gz GNDKBVFSBCKRJW-UWVGGRQHSA-N 1 0 224.308 0.985 10 0 BCAERO CC(C)S(=O)(=O)N1CC[C@H]([NH3+])C[C@H]1C ZINC000168903516 346747544 /nfs/dbraw/zinc/74/75/44/346747544.db2.gz ZDSLRUWQPNJZNO-BDAKNGLRSA-N 1 0 220.338 0.536 10 0 BCAERO CN(C(=O)[C@H]1C[C@H](F)C[NH2+]1)c1nccs1 ZINC000188385120 346806863 /nfs/dbraw/zinc/80/68/63/346806863.db2.gz FHSLQWLVGOTVJQ-NKWVEPMBSA-N 1 0 229.280 0.806 10 0 BCAERO Cc1cccc(Nc2nc[nH+]c(NN)c2N)n1 ZINC000040685614 179160450 /nfs/dbraw/zinc/16/04/50/179160450.db2.gz RXGSSOWICOBODS-UHFFFAOYSA-N 1 0 231.263 0.791 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)[C@H](O)c1ccccc1 ZINC000250229479 133644552 /nfs/dbraw/zinc/64/45/52/133644552.db2.gz CSJFCOVPUHZIEJ-RWMBFGLXSA-N 1 0 248.326 0.964 10 0 BCAERO COc1cc([C@H]2CC[NH2+]C[C@@H]2N)ccn1 ZINC000725242464 537986546 /nfs/dbraw/zinc/98/65/46/537986546.db2.gz HUCJNUDMIUAUFR-ZJUUUORDSA-N 1 0 207.277 0.494 10 0 BCAERO NC(=O)c1cccc(C[NH2+][C@@H]2C[C@H]2CO)c1 ZINC000378661626 346799342 /nfs/dbraw/zinc/79/93/42/346799342.db2.gz BWZCMOADXAKLMG-WDEREUQCSA-N 1 0 220.272 0.256 10 0 BCAERO Cc1cccc(OCC[NH2+][C@@H]2COC[C@@H]2O)c1 ZINC000042896425 179167790 /nfs/dbraw/zinc/16/77/90/179167790.db2.gz PDCRHHZCXWYVOS-OLZOCXBDSA-N 1 0 237.299 0.723 10 0 BCAERO Cc1cccc(OCCN2C[C@@H]([NH3+])CC2=O)c1 ZINC000042897829 179167832 /nfs/dbraw/zinc/16/78/32/179167832.db2.gz CHDJKKGNDWMWLI-NSHDSACASA-N 1 0 234.299 0.933 10 0 BCAERO [NH3+]C[C@]1(O)CCCN(c2ccc(F)cn2)C1 ZINC000616428227 347143512 /nfs/dbraw/zinc/14/35/12/347143512.db2.gz OEYHUYOXDIJHMN-LLVKDONJSA-N 1 0 225.267 0.511 10 0 BCAERO CC[C@@](O)(CN1CC[NH2+]CC1)C(F)(F)F ZINC000669380330 537987303 /nfs/dbraw/zinc/98/73/03/537987303.db2.gz XKDHEGUJPSLWBC-MRVPVSSYSA-N 1 0 226.242 0.595 10 0 BCAERO [NH3+][C@@H]1[C@@H]2CCO[C@H]2[C@H]1Nc1nccs1 ZINC000250197590 362796266 /nfs/dbraw/zinc/79/62/66/362796266.db2.gz YZQHZKPAHBSPBN-FKSUSPILSA-N 1 0 211.290 0.670 10 0 BCAERO C[C@H]1OCC[C@H]1[NH2+]C[C@H](O)CN(C)C1CC1 ZINC000382236777 347242560 /nfs/dbraw/zinc/24/25/60/347242560.db2.gz QQNUBSUUHICSOG-ADEWGFFLSA-N 1 0 228.336 0.209 10 0 BCAERO CCN1CC[NH+](C[C@](C)(O)CC)CC1 ZINC000119401766 347289695 /nfs/dbraw/zinc/28/96/95/347289695.db2.gz CPCJKXZQNXMWTC-LLVKDONJSA-N 1 0 200.326 0.785 10 0 BCAERO CNC(=O)[C@@H]1CCC[N@@H+]1[C@H]1CCC(=O)C1 ZINC000250391305 362802651 /nfs/dbraw/zinc/80/26/51/362802651.db2.gz PNSWNHRWDJRKMM-WPRPVWTQSA-N 1 0 210.277 0.318 10 0 BCAERO COC[C@H](C)C[N@@H+]1CCCNC(=O)[C@@H]1C ZINC000189086430 347295560 /nfs/dbraw/zinc/29/55/60/347295560.db2.gz KMSPORPPFOLVNC-ZJUUUORDSA-N 1 0 214.309 0.479 10 0 BCAERO CC(C)C[C@H]([NH3+])C(=O)N1CCO[C@H](C)C1 ZINC000019434829 347324399 /nfs/dbraw/zinc/32/43/99/347324399.db2.gz MNNFFQXHERUZKL-ZJUUUORDSA-N 1 0 214.309 0.607 10 0 BCAERO CCCCOC[C@@H](O)C[NH2+][C@H](C)CC(=O)NC ZINC000322643225 323142526 /nfs/dbraw/zinc/14/25/26/323142526.db2.gz UXKSVTPKMQGKOS-MNOVXSKESA-N 1 0 246.351 0.278 10 0 BCAERO c1nc2c([nH]1)[C@]1(C[C@@H]3COC[C@H]31)[NH2+]CC2 ZINC000725242860 537988848 /nfs/dbraw/zinc/98/88/48/537988848.db2.gz FECTWSKHNXRNPP-SOCHQFKDSA-N 1 0 205.261 0.417 10 0 BCAERO COC[C@H]([NH3+])C(=O)NCC(C1CC1)C1CC1 ZINC000088004780 362820548 /nfs/dbraw/zinc/82/05/48/362820548.db2.gz DRIQIDNWYJRFMD-NSHDSACASA-N 1 0 226.320 0.513 10 0 BCAERO CCCCOC[C@H](O)C[NH+]1CCC(CO)CC1 ZINC000193245780 347393022 /nfs/dbraw/zinc/39/30/22/347393022.db2.gz QYMRZKPGDIVJAW-CYBMUJFWSA-N 1 0 245.363 0.868 10 0 BCAERO CCCCOC[C@@H](O)C[N@H+](C)CC(C)(C)O ZINC000193251385 347393720 /nfs/dbraw/zinc/39/37/20/347393720.db2.gz HUDGSIPUOLYXOQ-NSHDSACASA-N 1 0 233.352 0.867 10 0 BCAERO CC[C@H]1CC[NH2+]C[C@H]1NC(=O)CC(=O)OC ZINC000616568674 347450099 /nfs/dbraw/zinc/45/00/99/347450099.db2.gz CLTMODNNCZQGJM-DTWKUNHWSA-N 1 0 228.292 0.054 10 0 BCAERO C[NH2+][C@H](C)C(=O)N[C@H]1CCCC[C@H]1O ZINC000251073776 362836028 /nfs/dbraw/zinc/83/60/28/362836028.db2.gz ZMFKDVDTYBIDKY-HRDYMLBCSA-N 1 0 200.282 0.014 10 0 BCAERO COC(=O)CCC[NH2+]CC1(O)CCOCC1 ZINC000088034201 362836147 /nfs/dbraw/zinc/83/61/47/362836147.db2.gz RKYUZAKUNWZXPY-UHFFFAOYSA-N 1 0 231.292 0.071 10 0 BCAERO Cc1ccccc1CCNS(=O)(=O)CC[NH3+] ZINC000057533993 179266704 /nfs/dbraw/zinc/26/67/04/179266704.db2.gz MTYXOIIYMGSGGT-UHFFFAOYSA-N 1 0 242.344 0.416 10 0 BCAERO CS[C@H](C)CNC(=O)[C@@H]1C[NH2+]CCOC1 ZINC000591631454 347680709 /nfs/dbraw/zinc/68/07/09/347680709.db2.gz QVVDNVIPBKQXHX-RKDXNWHRSA-N 1 0 232.349 0.090 10 0 BCAERO COC(=O)[C@@H](C)NC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000592532905 347797067 /nfs/dbraw/zinc/79/70/67/347797067.db2.gz RQVXZEWEXIRRRL-VGMNWLOBSA-N 1 0 228.292 0.039 10 0 BCAERO CCCS(=O)(=O)NCC[C@](C)([NH3+])C(F)F ZINC000669380892 537992841 /nfs/dbraw/zinc/99/28/41/537992841.db2.gz RJXIPWNPCLWJMJ-QMMMGPOBSA-N 1 0 244.307 0.688 10 0 BCAERO COCCNC(=O)N[C@](C)(CC[NH3+])C(F)F ZINC000669381019 537993027 /nfs/dbraw/zinc/99/30/27/537993027.db2.gz VUQSRJTUROQBAC-SECBINFHSA-N 1 0 239.266 0.305 10 0 BCAERO Cc1ccccc1NC(=O)[C@H]1C[NH2+][C@@H](C)CN1 ZINC000062814259 179302777 /nfs/dbraw/zinc/30/27/77/179302777.db2.gz ANBQGZDCBSIAPR-CMPLNLGQSA-N 1 0 233.315 0.883 10 0 BCAERO CCNC(=O)N[C@@](C)(CC[NH3+])C(F)F ZINC000669381152 537993798 /nfs/dbraw/zinc/99/37/98/537993798.db2.gz ZUCPZNRVRWYYNV-QMMMGPOBSA-N 1 0 209.240 0.678 10 0 BCAERO C=CC(=O)N[C@@H]1C[NH2+]CC[C@H]1C(F)(F)F ZINC000616570061 347900611 /nfs/dbraw/zinc/90/06/11/347900611.db2.gz DYNXEWXFFQNXCM-RNFRBKRXSA-N 1 0 222.210 0.829 10 0 BCAERO CN1C(=O)c2ccc(C(N)=[NH2+])cc2C1=O ZINC000616570101 347906317 /nfs/dbraw/zinc/90/63/17/347906317.db2.gz CCMTZWIIJTYWCE-UHFFFAOYSA-N 1 0 203.201 0.196 10 0 BCAERO Cc1ccccc1[C@@H](O)CN1CC[NH2+]CC1 ZINC000019785165 179326629 /nfs/dbraw/zinc/32/66/29/179326629.db2.gz ZCJQRLWBOZLPHG-ZDUSSCGKSA-N 1 0 220.316 0.934 10 0 BCAERO C[NH2+]C[C@@H](C)C(=O)N1CCC[C@@H](C(=O)OC)C1 ZINC000593911438 347969952 /nfs/dbraw/zinc/96/99/52/347969952.db2.gz DLEUPLJGPLWFRH-NXEZZACHSA-N 1 0 242.319 0.254 10 0 BCAERO CCC(=O)NCC1([NH2+]C)CCOCC1 ZINC000669381487 537996438 /nfs/dbraw/zinc/99/64/38/537996438.db2.gz LEWOXNYWFFCZOB-UHFFFAOYSA-N 1 0 200.282 0.281 10 0 BCAERO Cc1ccccc1[C@H](C)NC(=O)[C@H]1C[NH2+]CCN1 ZINC000062813121 179336885 /nfs/dbraw/zinc/33/68/85/179336885.db2.gz WKTWVLXPABDJHD-WCQYABFASA-N 1 0 247.342 0.734 10 0 BCAERO Cc1ccccc1[C@H](C)[NH2+]C(CO)CO ZINC000083691538 179337779 /nfs/dbraw/zinc/33/77/79/179337779.db2.gz GGZNDVCPTJJVGM-JTQLQIEISA-N 1 0 209.289 0.999 10 0 BCAERO CCC(C)(C)NC(=O)CN1CCC[C@H]1C[NH3+] ZINC000082595185 348014816 /nfs/dbraw/zinc/01/48/16/348014816.db2.gz WTNUERANXROVOP-JTQLQIEISA-N 1 0 227.352 0.714 10 0 BCAERO [NH3+]C[C@@H](N1CCC(O)CC1)C(F)(F)F ZINC000037169459 348024715 /nfs/dbraw/zinc/02/47/15/348024715.db2.gz ZZHGWEZMGMBAOY-SSDOTTSWSA-N 1 0 212.215 0.333 10 0 BCAERO C[C@@H]1CN([C@@H](C[NH3+])C(F)(F)F)CCO1 ZINC000037169448 348024777 /nfs/dbraw/zinc/02/47/77/348024777.db2.gz VZYJUQVOBBDRLK-RQJHMYQMSA-N 1 0 212.215 0.597 10 0 BCAERO [NH3+]C[C@H](N1CCC(O)CC1)C(F)(F)F ZINC000037169458 348024911 /nfs/dbraw/zinc/02/49/11/348024911.db2.gz ZZHGWEZMGMBAOY-ZETCQYMHSA-N 1 0 212.215 0.333 10 0 BCAERO [NH3+]C[C@@H](N1CCSCC1)C(F)(F)F ZINC000037169551 348024968 /nfs/dbraw/zinc/02/49/68/348024968.db2.gz WQNSGEXEZZDZPO-ZCFIWIBFSA-N 1 0 214.256 0.925 10 0 BCAERO CC[C@@H]1CCN(C(=O)COC)C[C@H]1[NH3+] ZINC000616570686 348080006 /nfs/dbraw/zinc/08/00/06/348080006.db2.gz NWKIBVRECADCTJ-RKDXNWHRSA-N 1 0 200.282 0.219 10 0 BCAERO CCCC[NH2+]C[C@H](O)C[C@@]1(O)CCOC1 ZINC000669381738 537996914 /nfs/dbraw/zinc/99/69/14/537996914.db2.gz UDRPQPFNUXUORP-MNOVXSKESA-N 1 0 217.309 0.279 10 0 BCAERO Cc1cccn(CC2(O)CC[NH2+]CC2)c1=O ZINC000063772349 179352944 /nfs/dbraw/zinc/35/29/44/179352944.db2.gz OVTQEYBIDSRWEI-UHFFFAOYSA-N 1 0 222.288 0.271 10 0 BCAERO C[C@]1(CN2CCS(=O)CC2)CC[NH2+]C1 ZINC000062911869 348096043 /nfs/dbraw/zinc/09/60/43/348096043.db2.gz IZVOHUIHEFOSSW-JTQLQIEISA-N 1 0 216.350 0.050 10 0 BCAERO OC[C@H]1C[C@@H](O)C[N@@H+]1CCOCC1CCC1 ZINC000419232019 192112797 /nfs/dbraw/zinc/11/27/97/192112797.db2.gz TYUNGAJWBZDTCU-VXGBXAGGSA-N 1 0 229.320 0.231 10 0 BCAERO CCOC(=O)CC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000616571286 348196521 /nfs/dbraw/zinc/19/65/21/348196521.db2.gz WQKOKXQQECKQAJ-DTWKUNHWSA-N 1 0 228.292 0.054 10 0 BCAERO C[C@@H]1C[NH2+]C[C@]12CC1(CCC2=O)OCCO1 ZINC000725245018 537999879 /nfs/dbraw/zinc/99/98/79/537999879.db2.gz DESZJRBCRZCABX-MWLCHTKSSA-N 1 0 225.288 0.708 10 0 BCAERO COC(=O)[C@@H]1CCC(=O)[C@]2(C[NH2+]C[C@H]2C)C1 ZINC000725245395 538000561 /nfs/dbraw/zinc/00/05/61/538000561.db2.gz HSGWGWFMKDBHMI-LNLATYFQSA-N 1 0 225.288 0.754 10 0 BCAERO Fc1ccc2nnc([C@H]3C[NH2+]CCN3)n2c1 ZINC000224985777 348274099 /nfs/dbraw/zinc/27/40/99/348274099.db2.gz ZPPXJBAMPIQYGV-MRVPVSSYSA-N 1 0 221.239 0.102 10 0 BCAERO COC(=O)[C@@H]1CCC(=O)[C@]2(C[NH2+]C[C@@H]2C)C1 ZINC000725245399 538001238 /nfs/dbraw/zinc/00/12/38/538001238.db2.gz HSGWGWFMKDBHMI-SBMIAAHKSA-N 1 0 225.288 0.754 10 0 BCAERO CC(C)C[NH2+]C[C@H](O)C(=O)N1CCCC1 ZINC000669382055 538001745 /nfs/dbraw/zinc/00/17/45/538001745.db2.gz FLQZSADFJYUHSQ-JTQLQIEISA-N 1 0 214.309 0.215 10 0 BCAERO CCCNC(=O)C[N@@H+]1CCC[C@H](O)[C@@H]1C ZINC000395015798 323185205 /nfs/dbraw/zinc/18/52/05/323185205.db2.gz NRQYYDNFPMOQQT-UWVGGRQHSA-N 1 0 214.309 0.358 10 0 BCAERO CC(C)[C@@H]([NH3+])CC(=O)NCc1cocn1 ZINC000397795041 362913015 /nfs/dbraw/zinc/91/30/15/362913015.db2.gz BEVSRHJGFXHTMG-VIFPVBQESA-N 1 0 211.265 0.664 10 0 BCAERO CCSC1(CNC(=O)[C@@H]([NH3+])COC)CC1 ZINC000595945137 348410790 /nfs/dbraw/zinc/41/07/90/348410790.db2.gz RKYSOQSXJXWIID-QMMMGPOBSA-N 1 0 232.349 0.362 10 0 BCAERO C[C@H]1C[NH2+]C[C@]12CN(CC1CC1)CCC2=O ZINC000725246174 538004741 /nfs/dbraw/zinc/00/47/41/538004741.db2.gz RECVREKVRVPUGT-GWCFXTLKSA-N 1 0 222.332 0.897 10 0 BCAERO Cc1ccnc(SCCN2CC[NH2+]CC2)n1 ZINC000051332209 179464751 /nfs/dbraw/zinc/46/47/51/179464751.db2.gz HKYMMMHVAVKICU-UHFFFAOYSA-N 1 0 238.360 0.782 10 0 BCAERO C[NH+]1CCC(C(N)=O)(c2ccccn2)CC1 ZINC000197926434 348503215 /nfs/dbraw/zinc/50/32/15/348503215.db2.gz WGNKOMRMUCTWST-UHFFFAOYSA-N 1 0 219.288 0.530 10 0 BCAERO COCc1nc([C@@H]2CC[NH2+]C2)cc(=O)[nH]1 ZINC000669383002 538006476 /nfs/dbraw/zinc/00/64/76/538006476.db2.gz QWWOVIZDMAFLQG-SSDOTTSWSA-N 1 0 209.249 0.406 10 0 BCAERO Cc1cnc(NCCCN2CC[NH2+]CC2)nc1 ZINC000063049027 179633509 /nfs/dbraw/zinc/63/35/09/179633509.db2.gz BRHCGEFKHMXCHM-UHFFFAOYSA-N 1 0 235.335 0.492 10 0 BCAERO CS[C@@H]1CC[C@H]1[NH2+]C[C@H]1CC(=O)N(C)C1 ZINC000597212677 348680670 /nfs/dbraw/zinc/68/06/70/348680670.db2.gz AAOWOBHYMSWALB-OPRDCNLKSA-N 1 0 228.361 0.948 10 0 BCAERO COC[C@@H](O)CC[NH2+]C[C@H](O)C(C)(C)C ZINC000308809179 348696609 /nfs/dbraw/zinc/69/66/09/348696609.db2.gz PQEZMHOULHAJRR-UWVGGRQHSA-N 1 0 219.325 0.380 10 0 BCAERO COC[C@H](O)CC[NH2+]C[C@H](O)C(C)(C)C ZINC000308809181 348696789 /nfs/dbraw/zinc/69/67/89/348696789.db2.gz PQEZMHOULHAJRR-ZJUUUORDSA-N 1 0 219.325 0.380 10 0 BCAERO [NH3+][C@@H]1C[C@@]12CNc1cc3c(cc12)OCCO3 ZINC000725247066 538010707 /nfs/dbraw/zinc/01/07/07/538010707.db2.gz GNLLQWWYRQPHOV-NEPJUHHUSA-N 1 0 218.256 0.852 10 0 BCAERO [NH3+]Cc1ccc(Cl)c(N2CCC(=O)C2)n1 ZINC000669383596 538013290 /nfs/dbraw/zinc/01/32/90/538013290.db2.gz VPEVLZOKVMADIY-UHFFFAOYSA-N 1 0 225.679 0.973 10 0 BCAERO Cn1nccc1[C@H](O)[C@@H]1CCCC[N@@H+]1C ZINC000521402177 323201211 /nfs/dbraw/zinc/20/12/11/323201211.db2.gz WSBBBVVQCQVRIA-GXSJLCMTSA-N 1 0 209.293 0.938 10 0 BCAERO C[NH2+][C@H](C)C(=O)NCCCOCC1CC1 ZINC000054072171 348874873 /nfs/dbraw/zinc/87/48/73/348874873.db2.gz VWKWJVQUTBBKPL-SECBINFHSA-N 1 0 214.309 0.527 10 0 BCAERO CC[C@H](C)NC(=O)CCNC(=O)[C@@H](C)[NH2+]C ZINC000054075640 348877874 /nfs/dbraw/zinc/87/78/74/348877874.db2.gz GDSGTFWVQOMWSA-DTWKUNHWSA-N 1 0 229.324 0.015 10 0 BCAERO C[NH2+][C@H](C)C(=O)NCCc1ccncc1 ZINC000054074486 348889375 /nfs/dbraw/zinc/88/93/75/348889375.db2.gz NWOGGVOZZCHCPB-SECBINFHSA-N 1 0 207.277 0.348 10 0 BCAERO CC(C)(C)C(=O)N[C@]1(CO)CCC[NH2+]C1 ZINC000669384711 538017361 /nfs/dbraw/zinc/01/73/61/538017361.db2.gz CADXUOUWZOHRJZ-LLVKDONJSA-N 1 0 214.309 0.263 10 0 BCAERO O=C(N[C@@]1(CO)CCC[NH2+]C1)C1CCC1 ZINC000669384927 538018072 /nfs/dbraw/zinc/01/80/72/538018072.db2.gz NXQRSMYABWQKRM-NSHDSACASA-N 1 0 212.293 0.017 10 0 BCAERO CCOC(=O)CNC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054307509 348974060 /nfs/dbraw/zinc/97/40/60/348974060.db2.gz VOGCZENFUDAMBZ-VIFPVBQESA-N 1 0 228.292 0.055 10 0 BCAERO COC(=O)[C@@H](C)NC(=O)C[C@H]1CCC[NH2+]C1 ZINC000054308943 348975160 /nfs/dbraw/zinc/97/51/60/348975160.db2.gz RWYIEBRRYYIZMD-RKDXNWHRSA-N 1 0 228.292 0.054 10 0 BCAERO Cc1cnn(CC[NH2+][C@H]2CCC(=O)N[C@H]2C)c1 ZINC000342135535 179740730 /nfs/dbraw/zinc/74/07/30/179740730.db2.gz QWVONXMHTFRDBB-QWRGUYRKSA-N 1 0 236.319 0.448 10 0 BCAERO CC(C)(C)[C@H]([NH3+])C(=O)N1CCC(CO)CC1 ZINC000040459308 187428102 /nfs/dbraw/zinc/42/81/02/187428102.db2.gz DAXRMHVUZHYEHM-SNVBAGLBSA-N 1 0 228.336 0.591 10 0 BCAERO C[C@@H]1C[C@@H](NC(=O)[C@]2(C)CCCC[NH2+]2)CO1 ZINC000401988849 349040146 /nfs/dbraw/zinc/04/01/46/349040146.db2.gz CBBKDSPJVOUWSQ-FOGDFJRCSA-N 1 0 226.320 0.812 10 0 BCAERO COC(=O)/C=C/C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000616573335 349069263 /nfs/dbraw/zinc/06/92/63/349069263.db2.gz XUGVRYJRZHTFIM-AWAZDUCLSA-N 1 0 238.287 0.069 10 0 BCAERO O=C(C1CCOCC1)N1CC[C@H]2[NH2+]CCC[C@H]21 ZINC000616573390 349069707 /nfs/dbraw/zinc/06/97/07/349069707.db2.gz YBDCXIQKIYVNQU-VXGBXAGGSA-N 1 0 238.331 0.766 10 0 BCAERO CC(C)N(CC1CC1)C(=O)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000042591696 187431408 /nfs/dbraw/zinc/43/14/08/187431408.db2.gz DCHQIWOEYOQCTF-MNOVXSKESA-N 1 0 226.320 0.356 10 0 BCAERO COCC(=O)NCc1cccc([C@@H](C)[NH3+])c1 ZINC000616573838 349072964 /nfs/dbraw/zinc/07/29/64/349072964.db2.gz UGLXGTOXUJQVNM-SECBINFHSA-N 1 0 222.288 0.969 10 0 BCAERO CC[C@@H](C)[C@@H]([NH3+])c1nnc2c(=O)n(C)ccn21 ZINC000616574867 349081908 /nfs/dbraw/zinc/08/19/08/349081908.db2.gz ZIYMUFZGBNRECV-HTQZYQBOSA-N 1 0 235.291 0.474 10 0 BCAERO C[NH2+]C[C@@]1(O)CCN(c2ccccn2)C1 ZINC000616576416 349101587 /nfs/dbraw/zinc/10/15/87/349101587.db2.gz USCLRCWAEUSPOI-NSHDSACASA-N 1 0 207.277 0.242 10 0 BCAERO OCC[NH2+][C@@H]1CCCN2CCSC[C@@H]12 ZINC000616577782 349119173 /nfs/dbraw/zinc/11/91/73/349119173.db2.gz MBTJSGROICKYKU-ZJUUUORDSA-N 1 0 216.350 0.148 10 0 BCAERO CC(C)(O)C[NH2+]Cc1ccc(C(N)=O)o1 ZINC000308928254 349123830 /nfs/dbraw/zinc/12/38/30/349123830.db2.gz DRTLMRZFIFKZQX-UHFFFAOYSA-N 1 0 212.249 0.239 10 0 BCAERO Cc1csc(CN2C[C@@H]([NH3+])CC2=O)n1 ZINC000049534631 179771979 /nfs/dbraw/zinc/77/19/79/179771979.db2.gz WTLVWDKUYKFQSF-ZETCQYMHSA-N 1 0 211.290 0.511 10 0 BCAERO C[C@H]1C[C@H](n2cc(S(C)(=O)=O)cn2)CC[NH2+]1 ZINC000725252197 538031992 /nfs/dbraw/zinc/03/19/92/538031992.db2.gz KKWOKDCUEIABIU-DTWKUNHWSA-N 1 0 243.332 0.600 10 0 BCAERO C[C@@H]([NH3+])C[C@@H](C)n1cc(S(C)(=O)=O)cn1 ZINC000725252045 538032098 /nfs/dbraw/zinc/03/20/98/538032098.db2.gz JUZMOSXEMVLVLK-HTQZYQBOSA-N 1 0 231.321 0.585 10 0 BCAERO Cc1cc(C)nc(N2CCN(C)C[C@H]2C[NH3+])n1 ZINC000250969448 349181204 /nfs/dbraw/zinc/18/12/04/349181204.db2.gz UMKCPFIGISSONC-LLVKDONJSA-N 1 0 235.335 0.173 10 0 BCAERO C[C@H]1CN2CCCC[C@H]2CN1C(=O)C1([NH3+])CC1 ZINC000251879809 349192579 /nfs/dbraw/zinc/19/25/79/349192579.db2.gz URRDCOOUUWGDML-QWRGUYRKSA-N 1 0 237.347 0.563 10 0 BCAERO COC(=O)CCCC[NH2+][C@@H]1CCC(=O)N[C@@H]1C ZINC000599396477 349171712 /nfs/dbraw/zinc/17/17/12/349171712.db2.gz AXCGWPOBYKJIJM-NXEZZACHSA-N 1 0 242.319 0.586 10 0 BCAERO C[C@@H](CC[NH3+])n1cc(S(C)(=O)=O)cn1 ZINC000725252228 538033099 /nfs/dbraw/zinc/03/30/99/538033099.db2.gz KWNXTYGONKXTHB-ZETCQYMHSA-N 1 0 217.294 0.196 10 0 BCAERO Cc1n[nH]cc1C[NH2+][C@H](C)C(=O)N(C)C ZINC000036901773 179857564 /nfs/dbraw/zinc/85/75/64/179857564.db2.gz UAKSTYCLEXXMMP-MRVPVSSYSA-N 1 0 210.281 0.284 10 0 BCAERO CC[NH2+]C[C@H]1C[C@@]12CCS(=O)(=O)C2 ZINC000062963560 349292334 /nfs/dbraw/zinc/29/23/34/349292334.db2.gz VFOWAEACUGGKTI-RKDXNWHRSA-N 1 0 203.307 0.421 10 0 BCAERO CC[NH2+]C[C@H]1C[C@]12CCS(=O)(=O)C2 ZINC000062963562 349292463 /nfs/dbraw/zinc/29/24/63/349292463.db2.gz VFOWAEACUGGKTI-BDAKNGLRSA-N 1 0 203.307 0.421 10 0 BCAERO COCC[NH2+][C@@H]1CCCN2CCSC[C@@H]12 ZINC000616580415 349257485 /nfs/dbraw/zinc/25/74/85/349257485.db2.gz XAFDGGLWXVSADA-MNOVXSKESA-N 1 0 230.377 0.802 10 0 BCAERO CC[NH2+][C@@H](C)[C@@H](C)n1cc(S(C)(=O)=O)cn1 ZINC000725253542 538037042 /nfs/dbraw/zinc/03/70/42/538037042.db2.gz WRZURWQIWKSVSW-DTWKUNHWSA-N 1 0 245.348 0.846 10 0 BCAERO COc1cccc2c1NC(=O)[C@@]21CC[NH2+]C1 ZINC000211417308 349269909 /nfs/dbraw/zinc/26/99/09/349269909.db2.gz JLIXUTLVJZTUJQ-GFCCVEGCSA-N 1 0 218.256 0.878 10 0 BCAERO C[C@H]1CC[C@@H](N2CCS(=O)CC2)C[NH2+]1 ZINC000062948843 349270076 /nfs/dbraw/zinc/27/00/76/349270076.db2.gz NBCUXYNQHXEDGJ-VHSXEESVSA-N 1 0 216.350 0.191 10 0 BCAERO Cc1nccc(N2CC[C@@H]3C[NH2+]C[C@@H]32)n1 ZINC000211661772 349279047 /nfs/dbraw/zinc/27/90/47/349279047.db2.gz GNGHMZRXJYDATB-ZJUUUORDSA-N 1 0 204.277 0.583 10 0 BCAERO C[NH2+][C@H]1CCC[C@H]1n1cc(S(C)(=O)=O)cn1 ZINC000725253600 538037263 /nfs/dbraw/zinc/03/72/63/538037263.db2.gz XXBRPVYDNWGXHX-VHSXEESVSA-N 1 0 243.332 0.600 10 0 BCAERO CCOC(=O)C1=C(O)[C@@H]2CCCC[N@@H+]2CC1 ZINC000616581720 349287245 /nfs/dbraw/zinc/28/72/45/349287245.db2.gz BCNSNQRFDAMMSJ-ZJUUUORDSA-N 1 0 225.288 0.993 10 0 BCAERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)Nc1nncs1 ZINC000395231169 323222317 /nfs/dbraw/zinc/22/23/17/323222317.db2.gz CCPMCLFDGNHJTE-NKWVEPMBSA-N 1 0 226.305 0.865 10 0 BCAERO C[NH2+][C@@H](C)[C@@H](C)n1cc(S(C)(=O)=O)cn1 ZINC000725253635 538039184 /nfs/dbraw/zinc/03/91/84/538039184.db2.gz YKVMNAXKGIVHFJ-JGVFFNPUSA-N 1 0 231.321 0.456 10 0 BCAERO OCC[C@@H]1c2ccccc2CC[N@H+]1CCO ZINC000616583400 349310581 /nfs/dbraw/zinc/31/05/81/349310581.db2.gz CIBDBCABTZJYTI-CYBMUJFWSA-N 1 0 221.300 0.961 10 0 BCAERO COC(=O)CCNC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000601970280 349407509 /nfs/dbraw/zinc/40/75/09/349407509.db2.gz NQNGOBSOENBERS-CABZTGNLSA-N 1 0 240.303 0.055 10 0 BCAERO CC(C)Oc1cncc(N(C)CC[NH3+])n1 ZINC000070580126 350024528 /nfs/dbraw/zinc/02/45/28/350024528.db2.gz YFVPZYALZQJGMB-UHFFFAOYSA-N 1 0 210.281 0.659 10 0 BCAERO Nc1ncc(CN2CCC[C@@H]2C[NH3+])s1 ZINC000307505263 323240713 /nfs/dbraw/zinc/24/07/13/323240713.db2.gz KYSIJTXWRUMRMY-SSDOTTSWSA-N 1 0 212.322 0.648 10 0 BCAERO CCOC(=O)CC[C@H]([NH3+])c1ncccn1 ZINC000725254883 538049380 /nfs/dbraw/zinc/04/93/80/538049380.db2.gz IQVODXNNUITZMP-QMMMGPOBSA-N 1 0 209.249 0.820 10 0 BCAERO CN(C[C@@H]1CC[N@H+](C)C1)c1cc(C#N)cnn1 ZINC000397009814 350042382 /nfs/dbraw/zinc/04/23/82/350042382.db2.gz XTKVTKAVDCDKJE-SNVBAGLBSA-N 1 0 231.303 0.736 10 0 BCAERO NS(=O)(=O)c1ccc(OCCCC[NH3+])cc1 ZINC000145009167 350054497 /nfs/dbraw/zinc/05/44/97/350054497.db2.gz FRXJBOBSXLTMJW-UHFFFAOYSA-N 1 0 244.316 0.452 10 0 in-vitro BCAERO CCCNC(=O)NC[C@@H]([NH3+])[C@H]1CCCOC1 ZINC000725255002 538050031 /nfs/dbraw/zinc/05/00/31/538050031.db2.gz NNNZFKMSTMBAFI-VHSXEESVSA-N 1 0 229.324 0.450 10 0 BCAERO CC(C)NC(=O)NC[C@H]([NH3+])[C@H]1CCCOC1 ZINC000725255254 538050363 /nfs/dbraw/zinc/05/03/63/538050363.db2.gz XNBDLEAARPQQLT-UWVGGRQHSA-N 1 0 229.324 0.448 10 0 BCAERO Cc1nc(NC[C@@H]2CCC[NH2+]C2)[nH]c(=O)c1C ZINC000045946922 180019668 /nfs/dbraw/zinc/01/96/68/180019668.db2.gz APXYCNUSXXBMDW-SNVBAGLBSA-N 1 0 236.319 0.798 10 0 BCAERO CCC(=[NH2+])N[C@]1(C)CCS(=O)(=O)C1 ZINC000062992528 350112699 /nfs/dbraw/zinc/11/26/99/350112699.db2.gz MYEPKIFKCWXUCL-MRVPVSSYSA-N 1 0 204.295 0.540 10 0 BCAERO [NH3+]Cc1ccc2c(c1)C[NH2+][C@H](C(=O)[O-])C2 ZINC000725255440 538051912 /nfs/dbraw/zinc/05/19/12/538051912.db2.gz BHLMPXYRJYHJGZ-JTQLQIEISA-N 1 0 206.245 0.244 10 0 BCAERO COC[C@H](C)[NH2+]C1CCN(CCO)CC1 ZINC000309178252 350120775 /nfs/dbraw/zinc/12/07/75/350120775.db2.gz NIHHVJKVETTYJI-JTQLQIEISA-N 1 0 216.325 0.068 10 0 BCAERO CC(C)NC(=O)NC[C@@H]([NH3+])[C@@H]1CCOC1 ZINC000725255192 538050901 /nfs/dbraw/zinc/05/09/01/538050901.db2.gz VOLHSFJNRGRSEM-RKDXNWHRSA-N 1 0 215.297 0.058 10 0 BCAERO Cc1cc(C[NH3+])c2c(c1)C[NH2+][C@H](C(=O)[O-])C2 ZINC000725256112 538055369 /nfs/dbraw/zinc/05/53/69/538055369.db2.gz UDBPGUPVGTXHGI-NSHDSACASA-N 1 0 220.272 0.553 10 0 BCAERO CCCn1ccnc(N(CC)CCC[NH3+])c1=O ZINC000061758043 187439224 /nfs/dbraw/zinc/43/92/24/187439224.db2.gz OKOXUCULRRWZCN-UHFFFAOYSA-N 1 0 238.335 0.828 10 0 BCAERO Cc1nc2cc(NC(=O)C[NH3+])ccc2[nH]1 ZINC000037041994 180081841 /nfs/dbraw/zinc/08/18/41/180081841.db2.gz IBSFJRTXQOEUFR-UHFFFAOYSA-N 1 0 204.233 0.769 10 0 BCAERO COCCN(C)CC[NH2+]C[C@@H](O)C(C)(C)C ZINC000304223191 350145080 /nfs/dbraw/zinc/14/50/80/350145080.db2.gz IEVODFXBYGECIT-LLVKDONJSA-N 1 0 232.368 0.561 10 0 BCAERO O=C(C1CCOCC1)N1CC2(C1)CC[NH2+]CC2 ZINC000212008709 538062103 /nfs/dbraw/zinc/06/21/03/538062103.db2.gz GBHWNYDMNVAVCR-UHFFFAOYSA-N 1 0 238.331 0.625 10 0 BCAERO CN(c1cc(C[NH3+])ccc1F)S(C)(=O)=O ZINC000725256248 538057068 /nfs/dbraw/zinc/05/70/68/538057068.db2.gz YTVNFGUGAYWTSO-UHFFFAOYSA-N 1 0 232.280 0.680 10 0 BCAERO CCOC(=O)N1CCOC[C@@H]1CC[NH3+] ZINC000219944504 350151149 /nfs/dbraw/zinc/15/11/49/350151149.db2.gz XIUYYJDRWQAOKX-QMMMGPOBSA-N 1 0 202.254 0.193 10 0 BCAERO CSc1nccc(N(C)[C@@H]2CC[NH2+]C2)n1 ZINC000095071829 191053933 /nfs/dbraw/zinc/05/39/33/191053933.db2.gz FWZRWTBDRRRBQX-MRVPVSSYSA-N 1 0 224.333 0.997 10 0 BCAERO Cc1nc2sccn2c1C[NH2+][C@@H](C)C(N)=O ZINC000037261342 180117978 /nfs/dbraw/zinc/11/79/78/180117978.db2.gz LAZPDVMYGWYWEY-ZETCQYMHSA-N 1 0 238.316 0.668 10 0 BCAERO Cc1ncc(C[NH2+][C@H]2COC[C@H]2O)s1 ZINC000040997942 180158568 /nfs/dbraw/zinc/15/85/68/180158568.db2.gz IABNWTWLFZQVEC-DTWKUNHWSA-N 1 0 214.290 0.301 10 0 BCAERO C[NH2+]Cc1nnn(CC2CC2)c1-c1ccnn1C ZINC000725257749 538067559 /nfs/dbraw/zinc/06/75/59/538067559.db2.gz VQFXAQIUBLOYOR-UHFFFAOYSA-N 1 0 246.318 0.808 10 0 BCAERO CO[C@@H]1CCCN(C(=O)[C@H]2CC[C@H]([NH3+])C2)C1 ZINC000151886299 191067766 /nfs/dbraw/zinc/06/77/66/191067766.db2.gz PKCGOSUQUXEELR-GARJFASQSA-N 1 0 226.320 0.751 10 0 BCAERO CC[NH2+]Cc1nnn(C)c1-c1ccnn1C ZINC000725257739 538068259 /nfs/dbraw/zinc/06/82/59/538068259.db2.gz VILAMMATNWGRGI-UHFFFAOYSA-N 1 0 220.280 0.325 10 0 BCAERO Cn1nccc1-c1c(C[NH3+])nnn1CCCF ZINC000725257809 538068476 /nfs/dbraw/zinc/06/84/76/538068476.db2.gz XRFPZRKYQOJFPU-UHFFFAOYSA-N 1 0 238.270 0.497 10 0 BCAERO Cc1nccc(CNC(=O)[C@@H]2C[NH2+]C[C@H]2C)n1 ZINC000104213208 180187682 /nfs/dbraw/zinc/18/76/82/180187682.db2.gz KLIUCRZCHJNZQA-LDYMZIIASA-N 1 0 234.303 0.257 10 0 BCAERO Cc1nccc(CNC(=O)[C@@H]2CC[NH2+]C2)n1 ZINC000062115449 180188022 /nfs/dbraw/zinc/18/80/22/180188022.db2.gz IRNPFXSXKYSRMJ-SECBINFHSA-N 1 0 220.276 0.011 10 0 BCAERO CC(C)(C)OC(=O)N1CCNC[C@@H]1C[NH3+] ZINC000159449167 350238438 /nfs/dbraw/zinc/23/84/38/350238438.db2.gz AZKGEYCZNWUTNK-QMMMGPOBSA-N 1 0 215.297 0.154 10 0 BCAERO C[C@@H]1CCC[N@H+](CC[C@H](N)C(N)=O)[C@H]1C ZINC000252151036 538079659 /nfs/dbraw/zinc/07/96/59/538079659.db2.gz MMMJKSAGCWIHOB-UTLUCORTSA-N 1 0 213.325 0.310 10 0 BCAERO C[C@@H]1CCC[N@H+](CC[C@@H](N)C(N)=O)[C@H]1C ZINC000252151035 538079691 /nfs/dbraw/zinc/07/96/91/538079691.db2.gz MMMJKSAGCWIHOB-KXUCPTDWSA-N 1 0 213.325 0.310 10 0 BCAERO Cc1nccn1CCN1CCC[C@@H]([NH3+])C1 ZINC000049331267 180252240 /nfs/dbraw/zinc/25/22/40/180252240.db2.gz CGEYIZMIRKDZGN-LLVKDONJSA-N 1 0 208.309 0.615 10 0 BCAERO Cc1nccn1CCN1CCC[C@H]1C[NH3+] ZINC000049330740 180252638 /nfs/dbraw/zinc/25/26/38/180252638.db2.gz KVYXSMUXWCDLTM-NSHDSACASA-N 1 0 208.309 0.615 10 0 BCAERO CC[N@H+](C)C[C@H](O)CN1C[C@H](C)O[C@@H](C)C1 ZINC000309278754 350252355 /nfs/dbraw/zinc/25/23/55/350252355.db2.gz SRUYEMSOPWLYNV-SRVKXCTJSA-N 1 0 230.352 0.408 10 0 BCAERO Cc1nccnc1N(C)[C@H]1CCC[NH2+]C1 ZINC000095070562 180274717 /nfs/dbraw/zinc/27/47/17/180274717.db2.gz FPQJLFZQORLLHX-JTQLQIEISA-N 1 0 206.293 0.973 10 0 BCAERO Cc1nccnc1N(C)C1CC[NH2+]CC1 ZINC000095070652 180275415 /nfs/dbraw/zinc/27/54/15/180275415.db2.gz SSWBKVLUUSZVRC-UHFFFAOYSA-N 1 0 206.293 0.973 10 0 BCAERO CC(C)([C@H]1C[NH+]2CCC1CC2)S(N)(=O)=O ZINC000725261521 538086490 /nfs/dbraw/zinc/08/64/90/538086490.db2.gz YBQHHBALFUQGRJ-VIFPVBQESA-N 1 0 232.349 0.395 10 0 BCAERO Cc1nccnc1N1CC[C@](C)(C[NH3+])C1 ZINC000235815985 180276281 /nfs/dbraw/zinc/27/62/81/180276281.db2.gz VVGIFMIZGFAVDV-LLVKDONJSA-N 1 0 206.293 0.960 10 0 BCAERO C[NH2+][C@H](C)[C@@H](C)[C@H]1CCS(=O)(=O)C1 ZINC000038085403 350304088 /nfs/dbraw/zinc/30/40/88/350304088.db2.gz NSAYVBOQIWPFKS-HLTSFMKQSA-N 1 0 205.323 0.665 10 0 BCAERO CC[C@H]([C@@H](C)[NH3+])[C@@H]1CCS(=O)(=O)C1 ZINC000038085425 350304228 /nfs/dbraw/zinc/30/42/28/350304228.db2.gz XNWQIHOPSYXYAT-IWSPIJDZSA-N 1 0 205.323 0.795 10 0 BCAERO CCCN[C@H](C(=O)OC)[C@@H]1COC(C)(C)O1 ZINC000725262276 538088420 /nfs/dbraw/zinc/08/84/20/538088420.db2.gz MMWOVGJCDAIFGS-IUCAKERBSA-N 1 0 231.292 0.679 10 0 BCAERO Cc1nccnc1S(=O)(=O)C1CC[NH2+]CC1 ZINC000095068744 180279988 /nfs/dbraw/zinc/27/99/88/180279988.db2.gz SBQQRTJYMWITFJ-UHFFFAOYSA-N 1 0 241.316 0.311 10 0 BCAERO C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CCC[C@@H]2O)C1 ZINC000386241664 362953895 /nfs/dbraw/zinc/95/38/95/362953895.db2.gz PAFBNIPKQSVCOW-DCAQKATOSA-N 1 0 226.320 0.215 10 0 BCAERO COC(=O)CCCN(C)C(=O)[C@H]1CCC[NH2+]C1 ZINC000037813171 350289687 /nfs/dbraw/zinc/28/96/87/350289687.db2.gz JEOKPAISXGWQFA-JTQLQIEISA-N 1 0 242.319 0.398 10 0 BCAERO Cc1nccnc1[S@](=O)[C@H]1CCC[NH2+]C1 ZINC000095068784 180285706 /nfs/dbraw/zinc/28/57/06/180285706.db2.gz SUUZZNFFMRXMSS-VFZGTOFNSA-N 1 0 225.317 0.645 10 0 BCAERO Cc1ncsc1CCOC[C@@H](O)C[NH3+] ZINC000019392586 180311613 /nfs/dbraw/zinc/31/16/13/180311613.db2.gz RLAAPXZWKINAJM-QMMMGPOBSA-N 1 0 216.306 0.330 10 0 BCAERO C[C@@](O)(C[NH3+])C(F)(F)Br ZINC000225661491 350368844 /nfs/dbraw/zinc/36/88/44/350368844.db2.gz PWQJOQMTJWHCIL-GSVOUGTGSA-N 1 0 204.014 0.684 10 0 BCAERO Cc1ncoc1C(=O)N1CCC[C@H]([NH3+])C1 ZINC000123061871 180298395 /nfs/dbraw/zinc/29/83/95/180298395.db2.gz BNQIJSVNIKQMHZ-QMMMGPOBSA-N 1 0 209.249 0.546 10 0 BCAERO Cc1ncsc1C(=O)N1C[C@H](C)[C@H]([NH3+])C1 ZINC000235636216 180303666 /nfs/dbraw/zinc/30/36/66/180303666.db2.gz BLIFNIUFIRULKA-POYBYMJQSA-N 1 0 225.317 0.871 10 0 BCAERO CSCC[C@H]([NH3+])C(=O)N[C@@H]1CCC[C@H](O)C1 ZINC000040462089 350364615 /nfs/dbraw/zinc/36/46/15/350364615.db2.gz BFTDBYOAVMVIMK-UTLUCORTSA-N 1 0 246.376 0.487 10 0 BCAERO [NH3+]CC[C@H](O)C(F)(F)Br ZINC000225664077 350368925 /nfs/dbraw/zinc/36/89/25/350368925.db2.gz VKDJENVGGAZZGH-VKHMYHEASA-N 1 0 204.014 0.684 10 0 BCAERO CC[C@@H](C)[N@@H+]1CCO[C@@H](C(N)=S)C1 ZINC000226172122 350405420 /nfs/dbraw/zinc/40/54/20/350405420.db2.gz XMLSLFXHHSCALW-HTQZYQBOSA-N 1 0 202.323 0.772 10 0 BCAERO Cc1nn(C)c(C)c1Cn1cncc1C[NH3+] ZINC000076647429 180342067 /nfs/dbraw/zinc/34/20/67/180342067.db2.gz KEIIHFHUEDHMEO-UHFFFAOYSA-N 1 0 219.292 0.740 10 0 BCAERO COCCNC(=O)N1CC[C@@]2([NH3+])CCCC[C@@H]12 ZINC000725264500 538091761 /nfs/dbraw/zinc/09/17/61/538091761.db2.gz RQZSXWGWRRAZRW-PWSUYJOCSA-N 1 0 241.335 0.688 10 0 BCAERO Cc1nn(C)c(C)c1NC(=O)C[C@@H](C)[NH3+] ZINC000040857018 180344063 /nfs/dbraw/zinc/34/40/63/180344063.db2.gz XTBBJPGHLASZBB-ZCFIWIBFSA-N 1 0 210.281 0.713 10 0 BCAERO Cc1nn(C)c(N(CCCO)C(C)C)c1C[NH3+] ZINC000042511426 180353932 /nfs/dbraw/zinc/35/39/32/180353932.db2.gz STFCHIZXJJWLBN-UHFFFAOYSA-N 1 0 240.351 0.784 10 0 BCAERO Cc1nn(C)c(N2CCO[C@H](C)C2)c1C[NH3+] ZINC000020469606 180356721 /nfs/dbraw/zinc/35/67/21/180356721.db2.gz FMDSYZAWMNZOBX-MRVPVSSYSA-N 1 0 224.308 0.412 10 0 BCAERO Cc1nn(C)c(N2CC[C@@H]([NH+](C)C)C2)c1CO ZINC000062966365 180356765 /nfs/dbraw/zinc/35/67/65/180356765.db2.gz XQSXGZFFTAKYAQ-SNVBAGLBSA-N 1 0 238.335 0.361 10 0 BCAERO Cc1nn(C)c(N[C@@H]2CC[N@H+](C)C2)c1N ZINC000042545064 180360615 /nfs/dbraw/zinc/36/06/15/180360615.db2.gz ZGKBDNLSKXOVDK-MRVPVSSYSA-N 1 0 209.297 0.427 10 0 BCAERO CCN(CCO)c1cc2c(nn1)CC[N@H+](C)C2 ZINC000725264900 538092523 /nfs/dbraw/zinc/09/25/23/538092523.db2.gz SNWUHPODDGBSPG-UHFFFAOYSA-N 1 0 236.319 0.283 10 0 BCAERO CCOC(=O)CC(=O)COCC[NH+](C)C ZINC000034120154 350463510 /nfs/dbraw/zinc/46/35/10/350463510.db2.gz IBPFGEZQSPSYDT-UHFFFAOYSA-N 1 0 217.265 0.087 10 0 BCAERO Cc1nn(C)cc1C[NH2+][C@H]1CCC(=O)N[C@H]1C ZINC000282222160 180374610 /nfs/dbraw/zinc/37/46/10/180374610.db2.gz DYOFCMFJNXERAK-ONGXEEELSA-N 1 0 236.319 0.485 10 0 BCAERO Cc1nn(C)cc1C[NH2+][C@H]1CCC[C@H]1O ZINC000162664165 180375376 /nfs/dbraw/zinc/37/53/76/180375376.db2.gz FLXOEVSNKFJZPV-WDEREUQCSA-N 1 0 209.293 0.732 10 0 BCAERO C[C@H](C[NH3+])C(=O)N[C@@H]1CCC[C@@H](O)C1 ZINC000227132356 350484263 /nfs/dbraw/zinc/48/42/63/350484263.db2.gz RBXWNXGEWGOTHO-IWSPIJDZSA-N 1 0 200.282 0.001 10 0 BCAERO Cc1cnc(-c2cnnn2[C@@H]2CCC[NH2+]C2)nc1 ZINC000725265964 538094110 /nfs/dbraw/zinc/09/41/10/538094110.db2.gz BGFTZDVMHWNTEY-SNVBAGLBSA-N 1 0 244.302 0.968 10 0 BCAERO CCOC(=O)[C@H]1CC[N@H+](CC)CCO1 ZINC000616593085 350497175 /nfs/dbraw/zinc/49/71/75/350497175.db2.gz HLZGFESSIZWTDI-SECBINFHSA-N 1 0 201.266 0.660 10 0 BCAERO Cc1nn(CCC(=O)NCC[NH3+])c(C)c1Cl ZINC000002538266 180388300 /nfs/dbraw/zinc/38/83/00/180388300.db2.gz CGKRBLSNFMNZMZ-UHFFFAOYSA-N 1 0 244.726 0.618 10 0 BCAERO Cc1nn(CC[C@@](C)([NH3+])C(N)=O)c(C)c1Cl ZINC000050588385 180389786 /nfs/dbraw/zinc/38/97/86/180389786.db2.gz KQYJNJNKFUCGTA-SNVBAGLBSA-N 1 0 244.726 0.746 10 0 BCAERO CCC[N@H+](CCO)C[C@@H]1CCCN1C ZINC000386310216 362965487 /nfs/dbraw/zinc/96/54/87/362965487.db2.gz LVYVOHOTEVRVQR-NSHDSACASA-N 1 0 200.326 0.785 10 0 BCAERO CCOC(=O)c1n[nH]nc1C1CC[NH+](C)CC1 ZINC000725266509 538095384 /nfs/dbraw/zinc/09/53/84/538095384.db2.gz GJOYTUUSHFUBKG-UHFFFAOYSA-N 1 0 238.291 0.791 10 0 BCAERO C[C@@H]1CC[C@H](C)[N@H+](C[C@@](C)(N)C(N)=O)C1 ZINC000228020820 350524232 /nfs/dbraw/zinc/52/42/32/350524232.db2.gz BBCJUBUDVGKMGG-WCABBAIRSA-N 1 0 213.325 0.310 10 0 BCAERO CCOc1cc(N2CC[C@@H]([NH2+]C)C2)nc(C)n1 ZINC000129099781 490599247 /nfs/dbraw/zinc/59/92/47/490599247.db2.gz GFVVEBKJAZQUHD-SNVBAGLBSA-N 1 0 236.319 0.982 10 0 BCAERO Cc1noc(C(C)(C)N2CC[NH2+]CC2)n1 ZINC000309479986 350565087 /nfs/dbraw/zinc/56/50/87/350565087.db2.gz DFXCVCNARIDOGP-UHFFFAOYSA-N 1 0 210.281 0.518 10 0 BCAERO Cc1nnc(N2C[C@@H](F)C[C@H]2C[NH3+])o1 ZINC000238853306 180428417 /nfs/dbraw/zinc/42/84/17/180428417.db2.gz IYZHGWJLLOFEIN-BQBZGAKWSA-N 1 0 200.217 0.254 10 0 BCAERO [NH3+]CCN1CCO[C@@H](n2cccn2)CC1 ZINC000616595077 350600452 /nfs/dbraw/zinc/60/04/52/350600452.db2.gz JPYNJKNWKNKJIQ-SNVBAGLBSA-N 1 0 210.281 0.063 10 0 BCAERO CCOC(=O)c1n[nH]nc1[C@H]1CC[NH2+]C[C@@H]1C ZINC000725266617 538097091 /nfs/dbraw/zinc/09/70/91/538097091.db2.gz VAKCYZYNRDEUTA-YUMQZZPRSA-N 1 0 238.291 0.694 10 0 BCAERO CCCCOC[C@H](O)C[N@@H+]1C[C@H](O)C[C@@H]1C ZINC000384925576 350648890 /nfs/dbraw/zinc/64/88/90/350648890.db2.gz GKFCKEILRVDKLU-QJPTWQEYSA-N 1 0 231.336 0.619 10 0 BCAERO [NH3+]CCN1CCO[C@@H](c2c[nH]cn2)CC1 ZINC000616596248 350632451 /nfs/dbraw/zinc/63/24/51/350632451.db2.gz UDXLAJWPXWJBIQ-SNVBAGLBSA-N 1 0 210.281 0.132 10 0 BCAERO [NH3+]CCN1CCOCC[C@H]1c1cn[nH]c1 ZINC000616596985 350635144 /nfs/dbraw/zinc/63/51/44/350635144.db2.gz CFXDZAXFJSALCW-JTQLQIEISA-N 1 0 210.281 0.132 10 0 BCAERO OCCN1CCOCC[C@H]1c1cncnc1 ZINC000616598121 350654975 /nfs/dbraw/zinc/65/49/75/350654975.db2.gz OSONIXDJSCKRGU-NSHDSACASA-N 1 0 223.276 0.232 10 0 BCAERO C[C@@H]1[C@H]([NH3+])CCN1Cc1c(Cl)cnn1C ZINC000334592218 350703270 /nfs/dbraw/zinc/70/32/70/350703270.db2.gz GLSRANJVKDHDLI-VXNVDRBHSA-N 1 0 228.727 0.995 10 0 BCAERO Cc1noc(COC[C@@H]2CCC[NH2+]C2)n1 ZINC000051815180 180490332 /nfs/dbraw/zinc/49/03/32/180490332.db2.gz KLBNZOKVODHKIX-SECBINFHSA-N 1 0 211.265 0.894 10 0 BCAERO [NH3+]CCN1CCOCC[C@@H]1c1ncc[nH]1 ZINC000616599013 350700434 /nfs/dbraw/zinc/70/04/34/350700434.db2.gz NYYFWSBQSNNULT-SECBINFHSA-N 1 0 210.281 0.132 10 0 BCAERO OCC[N@@H+]1CCOCC[C@H]1c1cccnc1 ZINC000616599327 350742996 /nfs/dbraw/zinc/74/29/96/350742996.db2.gz ZCUDGOVVMCTDMP-LBPRGKRZSA-N 1 0 222.288 0.837 10 0 BCAERO [NH3+]C[C@@H]1CN([C@@H]2CCSC2)CCO1 ZINC000159506329 350814532 /nfs/dbraw/zinc/81/45/32/350814532.db2.gz NLSAGQUQOXIPOZ-RKDXNWHRSA-N 1 0 202.323 0.151 10 0 BCAERO C[C@@H]1[C@@H](N(C)C)CC[N@@H+]1CC(N)=S ZINC000306673378 350819698 /nfs/dbraw/zinc/81/96/98/350819698.db2.gz NKVSMSLYKVFDRL-SFYZADRCSA-N 1 0 201.339 0.297 10 0 BCAERO CC[N@@H+]1CCC[C@@H]2CCC[C@@H](S(N)(=O)=O)[C@H]21 ZINC000238856538 350775452 /nfs/dbraw/zinc/77/54/52/350775452.db2.gz WEJXJTDMDMMTMY-AXFHLTTASA-N 1 0 246.376 0.928 10 0 BCAERO Nc1ccc([C@H]2COCCCN2CC[NH3+])cc1 ZINC000616599945 350776177 /nfs/dbraw/zinc/77/61/77/350776177.db2.gz TUWNDDCYLIIZDG-CYBMUJFWSA-N 1 0 235.331 0.991 10 0 BCAERO CN1CC[NH2+][C@@H](c2ccccc2C(N)=O)C1 ZINC000616601080 350781536 /nfs/dbraw/zinc/78/15/36/350781536.db2.gz NRXLCPYXSNMYGO-LLVKDONJSA-N 1 0 219.288 0.362 10 0 BCAERO NC(=O)c1ccc([C@H]2CC[N@H+](CCO)C2)cc1 ZINC000616613993 350822325 /nfs/dbraw/zinc/82/23/25/350822325.db2.gz YNIVGIJQEYHXKT-LBPRGKRZSA-N 1 0 234.299 0.567 10 0 BCAERO c1cc2nnccc2c([C@@H]2C[NH2+]CCN2)c1 ZINC000616603129 350789055 /nfs/dbraw/zinc/78/90/55/350789055.db2.gz PWGXISQOBUVQHA-LBPRGKRZSA-N 1 0 214.272 0.864 10 0 BCAERO CC(C)(C)[N@@H+]1CCC[C@@H](S(N)(=O)=O)CC1 ZINC000616602107 350790889 /nfs/dbraw/zinc/79/08/89/350790889.db2.gz SGUCSMLAGAEKDB-SECBINFHSA-N 1 0 234.365 0.928 10 0 BCAERO [NH3+]CCN1CC[C@H](c2ccccc2CO)C1 ZINC000616611457 350809399 /nfs/dbraw/zinc/80/93/99/350809399.db2.gz DWOKMKVVSQFWRV-NSHDSACASA-N 1 0 220.316 0.927 10 0 BCAERO OCC[N@@H+]1CCCC[C@@H]1c1ccnnc1 ZINC000616614251 350830444 /nfs/dbraw/zinc/83/04/44/350830444.db2.gz MUJNTTZBEPDNQP-LLVKDONJSA-N 1 0 207.277 0.996 10 0 BCAERO [NH3+]CCN1CC[C@@H](c2cccc(CCO)c2)C1 ZINC000616614337 350831892 /nfs/dbraw/zinc/83/18/92/350831892.db2.gz IXRHLBVHVROTDU-CQSZACIVSA-N 1 0 234.343 0.969 10 0 BCAERO CC[S@](C)(=O)=NC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000306679039 350834089 /nfs/dbraw/zinc/83/40/89/350834089.db2.gz AVTSKFZZYVPCEK-FZVNPBSJSA-N 1 0 218.322 0.758 10 0 BCAERO NC(=O)c1ccc([C@@H]2CC[N@H+](CCO)C2)cc1 ZINC000616614865 350841166 /nfs/dbraw/zinc/84/11/66/350841166.db2.gz YNIVGIJQEYHXKT-GFCCVEGCSA-N 1 0 234.299 0.567 10 0 BCAERO CNC(=S)N[C@@H]1CCC[C@@H]1[NH+](C)C ZINC000306696283 350847272 /nfs/dbraw/zinc/84/72/72/350847272.db2.gz WIHVQQTWZXZQPM-SFYZADRCSA-N 1 0 201.339 0.563 10 0 BCAERO CC[C@H](C)[N@@H+]1CCSC[C@@H]1C(N)=O ZINC000306704338 350852026 /nfs/dbraw/zinc/85/20/26/350852026.db2.gz HCCZQOXHAJCOQY-JGVFFNPUSA-N 1 0 202.323 0.688 10 0 BCAERO Cc1nn(C)cc1C(=O)[C@@H]1C[NH2+]C[C@@H]1C ZINC000306704594 350852099 /nfs/dbraw/zinc/85/20/99/350852099.db2.gz JPNYWCSNIDSPNW-IONNQARKSA-N 1 0 207.277 0.767 10 0 BCAERO [NH3+]C[C@]1([C@@H]2COC[C@@H]2O)CCCS1 ZINC000306676304 350828241 /nfs/dbraw/zinc/82/82/41/350828241.db2.gz VURAKTHDSVDAPY-VGMNWLOBSA-N 1 0 203.307 0.218 10 0 BCAERO C[NH2+][C@]1(CC(N)=O)C[C@@H](C)O[C@@H](C)C1 ZINC000252186856 350909673 /nfs/dbraw/zinc/90/96/73/350909673.db2.gz UKLTUWKUAUFBGP-DIYOJNKTSA-N 1 0 200.282 0.407 10 0 BCAERO COC(=O)C(C)(C)NC(=O)C[C@H]([NH3+])C(C)C ZINC000128944956 350910159 /nfs/dbraw/zinc/91/01/59/350910159.db2.gz IUWVMCFPDUQHPU-QMMMGPOBSA-N 1 0 230.308 0.428 10 0 BCAERO C[C@@H]1[C@H]2C[NH2+]C[C@H]2CN1C(=O)C(F)(F)F ZINC000252558901 350913358 /nfs/dbraw/zinc/91/33/58/350913358.db2.gz PUSGMIOZOHFUJL-DSYKOEDSSA-N 1 0 222.210 0.615 10 0 BCAERO CC[C@@H]1C[C@]1([NH3+])[C@H]1CCS(=O)(=O)C1 ZINC000252686188 350914106 /nfs/dbraw/zinc/91/41/06/350914106.db2.gz JGNPYCWDXKXCSE-HRDYMLBCSA-N 1 0 203.307 0.549 10 0 BCAERO C[C@H](C[N@@H+]1CCC[C@](C)(O)C1)C(N)=S ZINC000253059272 350918070 /nfs/dbraw/zinc/91/80/70/350918070.db2.gz CEMWGPSMYUYSJL-SCZZXKLOSA-N 1 0 216.350 0.755 10 0 BCAERO CC[C@H]1CN(S(C)(=O)=O)CC[C@H]1[NH2+]C ZINC000253148648 350919883 /nfs/dbraw/zinc/91/98/83/350919883.db2.gz AYNHBBPGUXHPLX-DTWKUNHWSA-N 1 0 220.338 0.266 10 0 BCAERO CC[S@](=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000306716419 350878968 /nfs/dbraw/zinc/87/89/68/350878968.db2.gz GBZRLWUOHJCXGG-RNCFNFMXSA-N 1 0 202.323 0.355 10 0 BCAERO COC(=O)[C@@H](C)NC(=O)C[C@H]([NH3+])C(C)C ZINC000129007357 350959424 /nfs/dbraw/zinc/95/94/24/350959424.db2.gz LQXLTBHPDNDNIK-SFYZADRCSA-N 1 0 216.281 0.038 10 0 BCAERO C[S@@](=O)N1C[C@@H]2C[C@@H]([NH3+])CC[C@@H]2C1 ZINC000306751300 350961371 /nfs/dbraw/zinc/96/13/71/350961371.db2.gz LFHGDMYJVANDCT-MRCNFZFLSA-N 1 0 202.323 0.339 10 0 BCAERO CCOC(=O)CCNC(=O)C[C@@H]([NH3+])C(C)C ZINC000129025493 350965932 /nfs/dbraw/zinc/96/59/32/350965932.db2.gz BOYVWOOBEUAJQH-SECBINFHSA-N 1 0 230.308 0.429 10 0 BCAERO [NH3+]C1(C(=O)N[C@H]2CCC(F)(F)C2)CC1 ZINC000306763991 350994626 /nfs/dbraw/zinc/99/46/26/350994626.db2.gz GWIUFNQCQCFTJU-LURJTMIESA-N 1 0 204.220 0.782 10 0 BCAERO C[NH+]1CCC(O)(c2cnc(N)s2)CC1 ZINC000159799576 350997588 /nfs/dbraw/zinc/99/75/88/350997588.db2.gz QCOBWSIXPPKJRU-UHFFFAOYSA-N 1 0 213.306 0.639 10 0 BCAERO C[C@@H](NC(=O)[C@@H]1CCC[NH2+]1)C(F)(F)F ZINC000306764402 350999790 /nfs/dbraw/zinc/99/97/90/350999790.db2.gz HEZQCPPTUMEYFG-RITPCOANSA-N 1 0 210.199 0.805 10 0 BCAERO CCC[S@](=O)N1[C@H](C)C[NH2+]C[C@@H]1C ZINC000306769169 351001847 /nfs/dbraw/zinc/00/18/47/351001847.db2.gz BANZUBXSPBTARR-RWEMILLDSA-N 1 0 204.339 0.742 10 0 BCAERO NC(=O)c1cccc([C@@H]2CCC[N@H+](CCO)C2)c1 ZINC000616621061 350948506 /nfs/dbraw/zinc/94/85/06/350948506.db2.gz OMYHXJHHWJEIGF-CYBMUJFWSA-N 1 0 248.326 0.957 10 0 BCAERO NC(=O)[C@H]([NH3+])Cc1cccc(F)c1Cl ZINC000159899771 351018747 /nfs/dbraw/zinc/01/87/47/351018747.db2.gz MEKINKANJRDLJP-SSDOTTSWSA-N 1 0 216.643 0.834 10 0 BCAERO C[C@@H](CNc1cc[nH+]c(N)n1)[S@](C)=O ZINC000228677869 351024438 /nfs/dbraw/zinc/02/44/38/351024438.db2.gz NKNCVUPGGAWIKL-MDAAJZPYSA-N 1 0 214.294 0.238 10 0 BCAERO NC(=O)[C@@H]1CCC[N@@H+]1[C@@H]1CCSC1 ZINC000306782634 351027287 /nfs/dbraw/zinc/02/72/87/351027287.db2.gz KPWKMGYSGWBAJS-SFYZADRCSA-N 1 0 200.307 0.442 10 0 BCAERO CC(C)(C)OC(=O)N1CC(O)([C@@H]2C=CC[NH2+]2)C1 ZINC000306782875 351028214 /nfs/dbraw/zinc/02/82/14/351028214.db2.gz RAPATYCBRICJKK-VIFPVBQESA-N 1 0 240.303 0.496 10 0 BCAERO C[C@H]([NH3+])[C@H](C)N1CCC[S@](=O)CC1 ZINC000306786090 351033911 /nfs/dbraw/zinc/03/39/11/351033911.db2.gz KPAJNOHATPNZFR-RVBZMBCESA-N 1 0 204.339 0.177 10 0 BCAERO C[C@@H]1CCC[N@H+](C[C@@](C)(N)CO)[C@@H]1C ZINC000222845981 351044683 /nfs/dbraw/zinc/04/46/83/351044683.db2.gz MTSNFOYHAUDIAK-GMTAPVOTSA-N 1 0 200.326 0.817 10 0 BCAERO CCCCOC[C@H](O)C[N@@H+]1CC[C@@H](O)[C@@H](C)C1 ZINC000336700961 351044883 /nfs/dbraw/zinc/04/48/83/351044883.db2.gz IOARKNXTFDHEPF-YNEHKIRRSA-N 1 0 245.363 0.867 10 0 BCAERO Cn1ncc(C(=O)C[C@H]2CCC[NH2+]C2)n1 ZINC000306771150 351013121 /nfs/dbraw/zinc/01/31/21/351013121.db2.gz CEAYHSGAVTUFKX-MRVPVSSYSA-N 1 0 208.265 0.388 10 0 BCAERO CCN1CC[NH2+][C@H](c2ccccc2C(N)=O)C1 ZINC000616631975 351110090 /nfs/dbraw/zinc/11/00/90/351110090.db2.gz BVTAVIQVXCEPBN-LBPRGKRZSA-N 1 0 233.315 0.752 10 0 BCAERO CC[N@@H+]1CCN[C@@H](c2cccnc2N)C1 ZINC000616632455 351111325 /nfs/dbraw/zinc/11/13/25/351111325.db2.gz RGVFIEITOGZPBC-SNVBAGLBSA-N 1 0 206.293 0.630 10 0 BCAERO CN1CC[NH2+][C@@H](c2ccc(C(N)=O)cc2)C1 ZINC000616632524 351112526 /nfs/dbraw/zinc/11/25/26/351112526.db2.gz SLVZMVTULKQORF-LLVKDONJSA-N 1 0 219.288 0.362 10 0 BCAERO CN1CC[NH2+][C@H](c2ccc(CCO)cc2)C1 ZINC000616632575 351112847 /nfs/dbraw/zinc/11/28/47/351112847.db2.gz LZWDSTPATKRGTD-ZDUSSCGKSA-N 1 0 220.316 0.798 10 0 BCAERO c1nnc([C@H]2C[N@H+](Cc3ccccc3)CCN2)[nH]1 ZINC000616633148 351114743 /nfs/dbraw/zinc/11/47/43/351114743.db2.gz LNJRMRBIYSJVJF-GFCCVEGCSA-N 1 0 243.314 0.951 10 0 BCAERO c1nc([C@@H]2C[NH2+]CCN2Cc2ccccc2)n[nH]1 ZINC000616635119 351118693 /nfs/dbraw/zinc/11/86/93/351118693.db2.gz BDYPLXCUHCEADC-LBPRGKRZSA-N 1 0 243.314 0.951 10 0 BCAERO COC(=O)N1CC[NH2+]C[C@H]1c1cccc(N)c1 ZINC000616636187 351123862 /nfs/dbraw/zinc/12/38/62/351123862.db2.gz QYLRIDWBOKHLKA-NSHDSACASA-N 1 0 235.287 0.982 10 0 BCAERO C[C@@H]([NH3+])Cn1cnc2ccsc2c1=O ZINC000222854149 351123995 /nfs/dbraw/zinc/12/39/95/351123995.db2.gz MFHJHXXXXBEIHR-ZCFIWIBFSA-N 1 0 209.274 0.805 10 0 BCAERO C[C@H]1[C@H]([NH2+]C2CSC2)CCS1(=O)=O ZINC000306818887 351086203 /nfs/dbraw/zinc/08/62/03/351086203.db2.gz FZNOYFGWAUAARR-POYBYMJQSA-N 1 0 221.347 0.267 10 0 BCAERO OCC[N@@H+]1CCCCC[C@@H]1c1cnno1 ZINC000616623814 351090409 /nfs/dbraw/zinc/09/04/09/351090409.db2.gz INHGQZYFIOMWIL-SECBINFHSA-N 1 0 211.265 0.979 10 0 BCAERO CCOC(=O)[C@@H]1CCCCCN1CC[NH3+] ZINC000616624797 351092834 /nfs/dbraw/zinc/09/28/34/351092834.db2.gz GVUKSLNMXYDDGB-JTQLQIEISA-N 1 0 214.309 0.753 10 0 BCAERO OCC[N@@H+]1CCCCC[C@H]1c1cnno1 ZINC000616624894 351093057 /nfs/dbraw/zinc/09/30/57/351093057.db2.gz INHGQZYFIOMWIL-VIFPVBQESA-N 1 0 211.265 0.979 10 0 BCAERO [NH3+]CCN1CCC[C@H](c2c[nH]cn2)CC1 ZINC000616627564 351095819 /nfs/dbraw/zinc/09/58/19/351095819.db2.gz HPRJJOITMPMYSS-JTQLQIEISA-N 1 0 208.309 0.938 10 0 BCAERO OCC[N@@H+]1CCC[C@H](n2cccn2)CC1 ZINC000616627796 351096829 /nfs/dbraw/zinc/09/68/29/351096829.db2.gz OFBHDNQUTGZPRK-NSHDSACASA-N 1 0 209.293 0.902 10 0 BCAERO [NH3+]CCN1CCOC[C@H]1c1ccccc1CO ZINC000616641119 351146866 /nfs/dbraw/zinc/14/68/66/351146866.db2.gz WKNFZWHKZTZCPT-ZDUSSCGKSA-N 1 0 236.315 0.511 10 0 BCAERO [NH3+][C@H]1CSC[C@H]1Cc1cnsn1 ZINC000306843999 351158138 /nfs/dbraw/zinc/15/81/38/351158138.db2.gz DHCHYLWBEFUXCC-VDTYLAMSSA-N 1 0 201.320 0.771 10 0 BCAERO CC(C)(C)OC(=O)N1CCO[C@@H]([NH3+])C1 ZINC000616644066 351160839 /nfs/dbraw/zinc/16/08/39/351160839.db2.gz GEOXGKPIRPOMJR-SSDOTTSWSA-N 1 0 202.254 0.539 10 0 BCAERO Nc1ccccc1[C@H]1COCCCN1CC[NH3+] ZINC000616644632 351161987 /nfs/dbraw/zinc/16/19/87/351161987.db2.gz AZRKZCKJQJVOEK-CYBMUJFWSA-N 1 0 235.331 0.991 10 0 BCAERO CCOC(=O)N1CCCOC[C@H]1CC[NH3+] ZINC000616649982 351172467 /nfs/dbraw/zinc/17/24/67/351172467.db2.gz SMNBZTPNTDHWRP-SECBINFHSA-N 1 0 216.281 0.583 10 0 BCAERO OCC[N@@H+]1CCCO[C@@H](c2ccno2)C1 ZINC000616653672 351194128 /nfs/dbraw/zinc/19/41/28/351194128.db2.gz TYVBZXPYHMHJJF-SNVBAGLBSA-N 1 0 212.249 0.430 10 0 BCAERO NC(=O)c1cccc([C@H]2C[NH2+]CCCO2)c1 ZINC000616650615 351184346 /nfs/dbraw/zinc/18/43/46/351184346.db2.gz CAOODZFUXFGMFF-LLVKDONJSA-N 1 0 220.272 0.837 10 0 BCAERO NC(=O)c1ccccc1[C@@H]1C[NH2+]CCCO1 ZINC000616652897 351187100 /nfs/dbraw/zinc/18/71/00/351187100.db2.gz RCYXMBTVRPIIOC-NSHDSACASA-N 1 0 220.272 0.837 10 0 BCAERO OCC[N@@H+]1CCCC[C@@H](n2ccnc2)C1 ZINC000616651947 351189857 /nfs/dbraw/zinc/18/98/57/351189857.db2.gz BRKZYRWCSJAQMN-LLVKDONJSA-N 1 0 209.293 0.902 10 0 BCAERO CCN1CC[NH2+]C[C@H]1c1ccccc1C(N)=O ZINC000616636492 351127552 /nfs/dbraw/zinc/12/75/52/351127552.db2.gz BSCXBTRIJDXDPB-LBPRGKRZSA-N 1 0 233.315 0.752 10 0 BCAERO C[C@]([NH3+])(C(=O)Nc1cnns1)C1CC1 ZINC000306821859 351129777 /nfs/dbraw/zinc/12/97/77/351129777.db2.gz LNBQHONIVWGQHB-MRVPVSSYSA-N 1 0 212.278 0.604 10 0 BCAERO O=[S@@](C[C@@H]1C[NH2+]CCO1)c1cccs1 ZINC000306824699 351132259 /nfs/dbraw/zinc/13/22/59/351132259.db2.gz UUYLHFIYWDEWGS-RTHLEPHNSA-N 1 0 231.342 0.844 10 0 BCAERO [NH3+]CCN1CC[NH2+][C@@H](c2ccccc2C(=O)[O-])C1 ZINC000616652328 351191186 /nfs/dbraw/zinc/19/11/86/351191186.db2.gz DOJBFHQFPBLRLI-GFCCVEGCSA-N 1 0 249.314 0.290 10 0 BCAERO NC(=O)N1CC[NH2+]C[C@@H]1c1ccc(CO)cc1 ZINC000616637584 351135141 /nfs/dbraw/zinc/13/51/41/351135141.db2.gz AAGHDRMAAOOUNZ-LLVKDONJSA-N 1 0 235.287 0.204 10 0 BCAERO CCOC(=O)N1CCNC[C@H]1c1c[nH]cn1 ZINC000616637710 351136199 /nfs/dbraw/zinc/13/61/99/351136199.db2.gz PPYKKJDSZZWEIA-VIFPVBQESA-N 1 0 224.264 0.513 10 0 BCAERO CC(C)N1CC[NH2+]C[C@H]1c1cncnc1 ZINC000616637898 351136871 /nfs/dbraw/zinc/13/68/71/351136871.db2.gz RUGGXGMLZREAIG-NSHDSACASA-N 1 0 206.293 0.831 10 0 BCAERO CC(=O)N1CC[NH2+]C[C@H]1c1cccc(CO)c1 ZINC000616638185 351138380 /nfs/dbraw/zinc/13/83/80/351138380.db2.gz GTJNCXKOYQLZNM-ZDUSSCGKSA-N 1 0 234.299 0.672 10 0 BCAERO BrC1=CCCN(C2=[NH+]CCN2)C1 ZINC000404210345 351142109 /nfs/dbraw/zinc/14/21/09/351142109.db2.gz WEMMRBPEXBSIRB-UHFFFAOYSA-N 1 0 230.109 0.930 10 0 BCAERO NC(=O)[C@@H]1CCc2ccccc2N1CC[NH3+] ZINC000616670201 351232380 /nfs/dbraw/zinc/23/23/80/351232380.db2.gz LYCDNCSAQLUHLG-NSHDSACASA-N 1 0 219.288 0.252 10 0 BCAERO COC(=O)N1CCO[C@@H](c2c[nH]cn2)C1 ZINC000616675392 351242931 /nfs/dbraw/zinc/24/29/31/351242931.db2.gz ANCXAOAUMNXDQA-MRVPVSSYSA-N 1 0 211.221 0.549 10 0 BCAERO [NH3+]CC[C@@H]1CN(CCO)c2ccccc2N1 ZINC000616681833 351252122 /nfs/dbraw/zinc/25/21/22/351252122.db2.gz WWMVRFLTFYGGGH-SNVBAGLBSA-N 1 0 221.304 0.628 10 0 BCAERO COC(=O)[C@H]1CN(CC[NH3+])c2ccccc2N1 ZINC000616682466 351252746 /nfs/dbraw/zinc/25/27/46/351252746.db2.gz BWUPYTRFASNSEM-SNVBAGLBSA-N 1 0 235.287 0.419 10 0 BCAERO NC(=O)N1c2ccccc2NC[C@H]1C[NH3+] ZINC000616682514 351252887 /nfs/dbraw/zinc/25/28/87/351252887.db2.gz AWCDRSCZDQMPTD-SSDOTTSWSA-N 1 0 206.249 0.325 10 0 BCAERO COC(=O)[C@H]1CNc2ccccc2N1CC[NH3+] ZINC000616683422 351254279 /nfs/dbraw/zinc/25/42/79/351254279.db2.gz GNWGQLFLGDLMCD-LLVKDONJSA-N 1 0 235.287 0.419 10 0 BCAERO [NH3+]C[C@H]1CNc2ccccc2N1CCO ZINC000616684875 351255663 /nfs/dbraw/zinc/25/56/63/351255663.db2.gz QLBCWJFLSHNGDN-VIFPVBQESA-N 1 0 207.277 0.238 10 0 BCAERO [NH3+][C@@H]1CC[C@H](C(=O)NCCOC(F)(F)F)C1 ZINC000398138570 363018174 /nfs/dbraw/zinc/01/81/74/363018174.db2.gz OVDLTUIXKYADCQ-NKWVEPMBSA-N 1 0 240.225 0.766 10 0 BCAERO CNc1ccccc1[C@H]1CN(C(N)=O)CCN1 ZINC000616654302 351195889 /nfs/dbraw/zinc/19/58/89/351195889.db2.gz PZZYNMDEGALTQM-LLVKDONJSA-N 1 0 234.303 0.753 10 0 BCAERO [NH3+]CCN1CCCO[C@@H](c2ccncn2)C1 ZINC000616654542 351196796 /nfs/dbraw/zinc/19/67/96/351196796.db2.gz HJKQOPYVGVYHAU-LLVKDONJSA-N 1 0 222.292 0.199 10 0 BCAERO Nc1cccc([C@@H]2CCOCCN2CC[NH3+])n1 ZINC000616657322 351197958 /nfs/dbraw/zinc/19/79/58/351197958.db2.gz WBAAKJUBADANPH-NSHDSACASA-N 1 0 236.319 0.386 10 0 BCAERO NC(=O)c1cccc([C@@H]2CCOCC[NH2+]2)c1 ZINC000616657436 351198995 /nfs/dbraw/zinc/19/89/95/351198995.db2.gz AVTOQDNFEULTFX-NSHDSACASA-N 1 0 220.272 0.837 10 0 BCAERO Nc1ncccc1[C@@H]1CCOCCN1CC[NH3+] ZINC000616657911 351199782 /nfs/dbraw/zinc/19/97/82/351199782.db2.gz ZXOQNWWENWSSHW-NSHDSACASA-N 1 0 236.319 0.386 10 0 BCAERO Nc1cccc([C@H]2CCOCC[N@@H+]2CCO)n1 ZINC000616655640 351201113 /nfs/dbraw/zinc/20/11/13/351201113.db2.gz JGKIRQGKWYWBJS-LLVKDONJSA-N 1 0 237.303 0.420 10 0 BCAERO Nc1ccc([C@@H]2COCC[N@H+](CCO)C2)cc1 ZINC000616659209 351205959 /nfs/dbraw/zinc/20/59/59/351205959.db2.gz CYTGCECZMIOGLP-LBPRGKRZSA-N 1 0 236.315 0.677 10 0 BCAERO [NH3+]CCN1CCOCC[C@@H]1c1ccno1 ZINC000616659088 351206093 /nfs/dbraw/zinc/20/60/93/351206093.db2.gz YURFNTFKBABBAP-SECBINFHSA-N 1 0 211.265 0.397 10 0 BCAERO CC[N@@H+]1CCOC[C@H](c2ncccn2)C1 ZINC000616659406 351207130 /nfs/dbraw/zinc/20/71/30/351207130.db2.gz JRANKBUMPXRLGE-SNVBAGLBSA-N 1 0 207.277 0.912 10 0 BCAERO CC[N@@H+]1CCOC[C@@H](c2cncnc2)C1 ZINC000616661301 351209728 /nfs/dbraw/zinc/20/97/28/351209728.db2.gz OXHOPTJCEAQSCI-NSHDSACASA-N 1 0 207.277 0.912 10 0 BCAERO CC(=O)N[C@@H]1COCC[N@@H+](C(C)C)C1 ZINC000616661952 351210770 /nfs/dbraw/zinc/21/07/70/351210770.db2.gz WQRXABJTNAMQCF-JTQLQIEISA-N 1 0 200.282 0.232 10 0 BCAERO CC(=O)N[C@H]1COCC[N@@H+](C(C)C)C1 ZINC000616661947 351210904 /nfs/dbraw/zinc/21/09/04/351210904.db2.gz WQRXABJTNAMQCF-SNVBAGLBSA-N 1 0 200.282 0.232 10 0 BCAERO CC(C)(C)OC(=O)N1CCO[C@@H]([NH3+])CC1 ZINC000616663960 351217001 /nfs/dbraw/zinc/21/70/01/351217001.db2.gz XPKQNVXUIKXQDJ-MRVPVSSYSA-N 1 0 216.281 0.929 10 0 BCAERO [NH3+]CCN1CCO[C@H](c2ccccn2)CC1 ZINC000616665203 351221548 /nfs/dbraw/zinc/22/15/48/351221548.db2.gz ARMTUYRYRRSCFO-LBPRGKRZSA-N 1 0 221.304 0.804 10 0 BCAERO [NH3+]CCN1CCO[C@H](c2cnco2)CC1 ZINC000616665451 351222748 /nfs/dbraw/zinc/22/27/48/351222748.db2.gz JLJZWIOAOLGCHU-VIFPVBQESA-N 1 0 211.265 0.397 10 0 BCAERO OCC[N@@H+]1CCO[C@@H](Nc2ccccn2)CC1 ZINC000616666485 351226843 /nfs/dbraw/zinc/22/68/43/351226843.db2.gz UZEPOAJGZQQKLJ-GFCCVEGCSA-N 1 0 237.303 0.534 10 0 BCAERO CS(=O)(=O)N[C@H]1CCCCC[C@@H]1[NH3+] ZINC000063213929 351281268 /nfs/dbraw/zinc/28/12/68/351281268.db2.gz KPENKMDGTUDMQX-YUMQZZPRSA-N 1 0 206.311 0.196 10 0 BCAERO Cc1ncc(C[NH2+]C[C@H]2CC(=O)N(C)C2)o1 ZINC000628341261 351284543 /nfs/dbraw/zinc/28/45/43/351284543.db2.gz HINQECDEYRRHBK-SECBINFHSA-N 1 0 223.276 0.551 10 0 BCAERO C[NH2+]C[C@@H]1C[C@@]12CCCS(=O)(=O)C2 ZINC000068941097 351297306 /nfs/dbraw/zinc/29/73/06/351297306.db2.gz MZMWBCUDEVFCLS-DTWKUNHWSA-N 1 0 203.307 0.421 10 0 BCAERO C[C@@H]1C[C@H]1C(=O)N1CCSC[C@@H]1C[NH3+] ZINC000306891177 351304525 /nfs/dbraw/zinc/30/45/25/351304525.db2.gz ZZRFMTBZLKJRJZ-HRDYMLBCSA-N 1 0 214.334 0.545 10 0 BCAERO C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2C)CCC1=O ZINC000306881228 351278934 /nfs/dbraw/zinc/27/89/34/351278934.db2.gz LVJMSUVIILHNBC-MNOVXSKESA-N 1 0 210.321 0.992 10 0 BCAERO CO[C@@H]1C[C@H](CO)[N@@H+]([C@@H]2CCCC2=O)C1 ZINC000306965151 351385629 /nfs/dbraw/zinc/38/56/29/351385629.db2.gz JZVQRBAODCCORE-OPRDCNLKSA-N 1 0 213.277 0.190 10 0 BCAERO CO[C@H]1C[C@H](C[NH3+])N(c2nncs2)C1 ZINC000306971143 351391232 /nfs/dbraw/zinc/39/12/32/351391232.db2.gz JVQXAWBKSSBSGW-RQJHMYQMSA-N 1 0 214.294 0.091 10 0 BCAERO CCC[C@H]([NH3+])C(=O)Nc1cnns1 ZINC000231831716 351402407 /nfs/dbraw/zinc/40/24/07/351402407.db2.gz QJPJTFSEKYNDMY-YFKPBYRVSA-N 1 0 200.267 0.604 10 0 BCAERO C[C@@H](C[NH3+])Cn1cc(Cl)cnc1=O ZINC000168198928 351337431 /nfs/dbraw/zinc/33/74/31/351337431.db2.gz BDFYVDODACIDTE-LURJTMIESA-N 1 0 201.657 0.492 10 0 BCAERO [NH3+][C@@H](C1=CCCO1)[C@H]1CSCCO1 ZINC000168232748 351348315 /nfs/dbraw/zinc/34/83/15/351348315.db2.gz YLXGCALHYPOSNY-BDAKNGLRSA-N 1 0 201.291 0.750 10 0 BCAERO C[C@H](C(=O)N(C)c1ccccn1)N1CC[NH2+]CC1 ZINC000034958642 351362048 /nfs/dbraw/zinc/36/20/48/351362048.db2.gz GYTKWYVKCYTPBA-LLVKDONJSA-N 1 0 248.330 0.338 10 0 BCAERO CCOCC[N@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000087977718 351446330 /nfs/dbraw/zinc/44/63/30/351446330.db2.gz SJMZXMGEEBLLQP-NSHDSACASA-N 1 0 200.326 0.954 10 0 BCAERO C1[NH2+]CC1N1CCC[C@@H](C2OCCO2)C1 ZINC000307064654 351461635 /nfs/dbraw/zinc/46/16/35/351461635.db2.gz IGXVJGIGGFOVMB-SECBINFHSA-N 1 0 212.293 0.043 10 0 BCAERO [NH3+]C1(C(=O)c2ccsn2)CCOCC1 ZINC000307064710 351461726 /nfs/dbraw/zinc/46/17/26/351461726.db2.gz QNNJHPKYVLMXJP-UHFFFAOYSA-N 1 0 212.274 0.834 10 0 BCAERO C[C@@H]1CCC[C@@]([NH3+])(C(=O)NCCF)C1 ZINC000307070377 351463898 /nfs/dbraw/zinc/46/38/98/351463898.db2.gz FBSSIWAFBRRUFN-SCZZXKLOSA-N 1 0 202.273 0.980 10 0 BCAERO CC(C)([NH2+][C@@H]1CCC[C@]1(C)O)C(N)=O ZINC000307019610 351423825 /nfs/dbraw/zinc/42/38/25/351423825.db2.gz YPFNFIULMBNEOC-XCBNKYQSSA-N 1 0 200.282 0.143 10 0 BCAERO C[C@H]1[C@@]2(CCS1(=O)=O)CC[NH2+]C[C@H]2C ZINC000307138564 351495015 /nfs/dbraw/zinc/49/50/15/351495015.db2.gz ATIWGBCCGUFVLN-KXUCPTDWSA-N 1 0 217.334 0.809 10 0 BCAERO C[C@@H]1SCC[C@@H]1[NH2+]C1CS(=O)(=O)C1 ZINC000307138327 351495342 /nfs/dbraw/zinc/49/53/42/351495342.db2.gz AFUIAOKKKVXVTA-XPUUQOCRSA-N 1 0 221.347 0.267 10 0 BCAERO [NH3+]C[C@H]1CSCCN1c1nncs1 ZINC000307146918 351498874 /nfs/dbraw/zinc/49/88/74/351498874.db2.gz OBBJWTGHXWMKFL-LURJTMIESA-N 1 0 216.335 0.419 10 0 BCAERO C/C(=C\Cl)C[NH2+][C@@H]1CC(=O)N(C)C1=O ZINC000232000189 351501887 /nfs/dbraw/zinc/50/18/87/351501887.db2.gz FNVCHHMFIULMSU-PTYLAXBQSA-N 1 0 216.668 0.476 10 0 BCAERO C[C@@H]1C[C@H]([NH2+][C@H]2COC[C@H]2O)CS1 ZINC000307157308 351508285 /nfs/dbraw/zinc/50/82/85/351508285.db2.gz PYRUQIAQSGVJRG-RYPBNFRJSA-N 1 0 203.307 0.230 10 0 BCAERO C[C@@H]1C[C@H]([NH2+][C@@H]2COC[C@H]2O)CS1 ZINC000307157307 351508308 /nfs/dbraw/zinc/50/83/08/351508308.db2.gz PYRUQIAQSGVJRG-BZNPZCIMSA-N 1 0 203.307 0.230 10 0 BCAERO [NH3+]Cc1ccnc(Sc2nc[nH]n2)n1 ZINC000231941214 351475326 /nfs/dbraw/zinc/47/53/26/351475326.db2.gz RQLCLAOEOMHSRW-UHFFFAOYSA-N 1 0 208.250 0.205 10 0 BCAERO COC[C@@H]([NH3+])C(=O)Nc1ccccc1OC ZINC000088002254 351481485 /nfs/dbraw/zinc/48/14/85/351481485.db2.gz HPVDKMGYMHQKRK-MRVPVSSYSA-N 1 0 224.260 0.607 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N[C@H](C)c1ccccc1 ZINC000088002230 351481553 /nfs/dbraw/zinc/48/15/53/351481553.db2.gz DDXMZMGGDIXUDW-MWLCHTKSSA-N 1 0 222.288 0.838 10 0 BCAERO CC1(C)C[N@H+](CC(N)=S)CC[C@@H]1O ZINC000307116418 351487584 /nfs/dbraw/zinc/48/75/84/351487584.db2.gz YEQRDYKGDYHKBR-ZETCQYMHSA-N 1 0 202.323 0.365 10 0 BCAERO NC(=[NH2+])CN1CCC=C(Br)C1 ZINC000404372273 363060312 /nfs/dbraw/zinc/06/03/12/363060312.db2.gz AKSILFWBVNROCV-UHFFFAOYSA-N 1 0 218.098 0.907 10 0 BCAERO CC(C)(N1CC[C@H]([NH3+])C1=O)C(F)(F)F ZINC000307165835 351530932 /nfs/dbraw/zinc/53/09/32/351530932.db2.gz NOAPHIABYNBJHS-YFKPBYRVSA-N 1 0 210.199 0.887 10 0 BCAERO Cn1c(C[NH3+])nnc1SC[C@H]1CCCCO1 ZINC000070944398 180617594 /nfs/dbraw/zinc/61/75/94/180617594.db2.gz HUUOFOLFAGMSJW-MRVPVSSYSA-N 1 0 242.348 0.935 10 0 BCAERO Cc1conc1C(=O)N1CCCC[C@H]1C[NH3+] ZINC000637815474 351654748 /nfs/dbraw/zinc/65/47/48/351654748.db2.gz AZUCBPZBUIOZHC-VIFPVBQESA-N 1 0 223.276 0.936 10 0 BCAERO O=C(N1CC[C@H]2[NH2+]CC[C@H]2C1)C(F)(F)F ZINC000307216766 351616551 /nfs/dbraw/zinc/61/65/51/351616551.db2.gz MADBYTMUDFDZBO-NKWVEPMBSA-N 1 0 222.210 0.759 10 0 BCAERO C[C@@H]1CSC[C@@H]1NC(=O)[C@H]1CC[NH2+]1 ZINC000307216518 351616561 /nfs/dbraw/zinc/61/65/61/351616561.db2.gz AEWHKPNBIHLRPV-PRJMDXOYSA-N 1 0 200.307 0.216 10 0 BCAERO Cn1c(N)nnc1S[C@@H]1CCC[NH2+]C1 ZINC000043501771 180620901 /nfs/dbraw/zinc/62/09/01/180620901.db2.gz KDNUYHXAODIZJP-ZCFIWIBFSA-N 1 0 213.310 0.241 10 0 BCAERO C[S@](=O)Nc1nc2c(s1)C[NH2+]CC2 ZINC000307226962 351675169 /nfs/dbraw/zinc/67/51/69/351675169.db2.gz WBHMEFGJHBPMOC-ZDUSSCGKSA-N 1 0 217.319 0.494 10 0 BCAERO COC1CC(C(=O)N2CCC[C@H]2C[NH3+])C1 ZINC000637858191 351719401 /nfs/dbraw/zinc/71/94/01/351719401.db2.gz WCYFBSOKCGXJKB-KYHHOPLUSA-N 1 0 212.293 0.361 10 0 BCAERO C[C@@H]1CN(C(=O)[C@]2(C)C[NH2+]CCO2)C[C@@H](C)O1 ZINC000637866889 351727533 /nfs/dbraw/zinc/72/75/33/351727533.db2.gz CYUCPDVVCKBNLJ-FOGDFJRCSA-N 1 0 242.319 0.001 10 0 BCAERO O=S1(=NC[C@@H]2CC[NH2+]C2)CCCC1 ZINC000307239235 351729493 /nfs/dbraw/zinc/72/94/93/351729493.db2.gz GGZOAODPLRQBPE-SECBINFHSA-N 1 0 202.323 0.858 10 0 BCAERO C[NH2+][C@@]1(CN2CCSCC2)CCOC1 ZINC000307240207 351733111 /nfs/dbraw/zinc/73/31/11/351733111.db2.gz QCKREMRCFGRBQV-SNVBAGLBSA-N 1 0 216.350 0.414 10 0 BCAERO CO[C@@H]1C[NH2+][C@](C)(C(=O)N[C@@H](C)C(C)C)C1 ZINC000637876220 351741414 /nfs/dbraw/zinc/74/14/14/351741414.db2.gz JGKFVOMZGSNMQD-NHCYSSNCSA-N 1 0 228.336 0.914 10 0 BCAERO COC[C@H](C)NC(=O)[C@]1(COC)CCCC[NH2+]1 ZINC000637877138 351742501 /nfs/dbraw/zinc/74/25/01/351742501.db2.gz QSYLARJAUCMXFM-CMPLNLGQSA-N 1 0 244.335 0.296 10 0 BCAERO CC(C)[C@@H](C)NC(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000637877424 351742974 /nfs/dbraw/zinc/74/29/74/351742974.db2.gz SKABEQSDWHWBKN-MWLCHTKSSA-N 1 0 214.309 0.526 10 0 BCAERO COC[C@H](C)NC(=O)[C@H]([NH3+])CCC(C)C ZINC000637877477 351743509 /nfs/dbraw/zinc/74/35/09/351743509.db2.gz URUDKMNLJMIZCU-VHSXEESVSA-N 1 0 216.325 0.901 10 0 BCAERO Cn1cc(C(=O)NC[C@@H]([NH3+])c2ccccc2)cn1 ZINC000062837840 180633208 /nfs/dbraw/zinc/63/32/08/180633208.db2.gz JBXRROXZDNLVLV-GFCCVEGCSA-N 1 0 244.298 0.850 10 0 BCAERO CCNC(=O)N[C@@H]1CCOC12CC[NH2+]CC2 ZINC000725269074 538101237 /nfs/dbraw/zinc/10/12/37/538101237.db2.gz CNCJCIPKBIUFIY-SECBINFHSA-N 1 0 227.308 0.217 10 0 BCAERO [NH3+][C@H]1CCN(C(=O)C2CC(F)(F)C2)C1 ZINC000307253818 351781770 /nfs/dbraw/zinc/78/17/70/351781770.db2.gz WGBZQQJQKZMIAP-ZETCQYMHSA-N 1 0 204.220 0.591 10 0 BCAERO C[C@@H]1CS(=O)(=O)C[C@H]1[NH2+]C1CCC1 ZINC000307248620 351753967 /nfs/dbraw/zinc/75/39/67/351753967.db2.gz ASVQCOJGXDTMFS-VXNVDRBHSA-N 1 0 203.307 0.562 10 0 BCAERO C[S@@](=O)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000307248353 351756381 /nfs/dbraw/zinc/75/63/81/351756381.db2.gz HOPMRXGOBPQRLC-AMIZOPFISA-N 1 0 202.323 0.544 10 0 BCAERO C[C@H](CC(N)=S)[N@@H+]1CCC[C@H](O)[C@@H]1C ZINC000307252201 351769381 /nfs/dbraw/zinc/76/93/81/351769381.db2.gz RQXGLYJAMOUQCN-VGMNWLOBSA-N 1 0 216.350 0.896 10 0 BCAERO N#CNC[C@H]1CN(Cc2ccccc2)CCO1 ZINC000307251217 351770424 /nfs/dbraw/zinc/77/04/24/351770424.db2.gz NLRNXJQBWZGWED-ZDUSSCGKSA-N 1 0 231.299 0.958 10 0 BCAERO O=C1C[C@H]([NH2+]CC2CC(F)(F)C2)CN1 ZINC000307252503 351771031 /nfs/dbraw/zinc/77/10/31/351771031.db2.gz SILGKJJMNUPDMA-ZETCQYMHSA-N 1 0 204.220 0.510 10 0 BCAERO OC[C@@H]1CCC[N@@H+]([C@@H]2CCO[C@]23CCOC3)C1 ZINC000725268857 538101342 /nfs/dbraw/zinc/10/13/42/538101342.db2.gz CUHYWBAHJYQSBC-UPJWGTAASA-N 1 0 241.331 0.639 10 0 BCAERO CC(C)CC[C@H]([NH3+])C(=O)N[C@@H]1CCCNC1=O ZINC000637958851 351834527 /nfs/dbraw/zinc/83/45/27/351834527.db2.gz XFOKCDZGRMOCRQ-VHSXEESVSA-N 1 0 241.335 0.145 10 0 BCAERO C[C@H](O)C1CCN(C(=O)C2=CC[C@@H]([NH3+])C2)CC1 ZINC000637975281 351851523 /nfs/dbraw/zinc/85/15/23/351851523.db2.gz ICWQQAZHWSCDLK-JOYOIKCWSA-N 1 0 238.331 0.653 10 0 BCAERO CC[NH2+][C@@H](C)C(=O)N1CCC([C@@H](C)O)CC1 ZINC000637975333 351851738 /nfs/dbraw/zinc/85/17/38/351851738.db2.gz JPYLVEPSFJWCCB-VHSXEESVSA-N 1 0 228.336 0.604 10 0 BCAERO OC[C@@H]1CCC[N@@H+]([C@@H]2CCO[C@@]23CCOC3)C1 ZINC000725268856 538101399 /nfs/dbraw/zinc/10/13/99/538101399.db2.gz CUHYWBAHJYQSBC-JHJVBQTASA-N 1 0 241.331 0.639 10 0 BCAERO C[NH2+][C@@]1(C(N)=O)CCc2ccc(C)cc21 ZINC000129377563 351875641 /nfs/dbraw/zinc/87/56/41/351875641.db2.gz BKHJHOROGYNUDN-LBPRGKRZSA-N 1 0 204.273 0.841 10 0 BCAERO CC1(C)CC[C@@H](SCC(N)=O)[C@@H]1[NH3+] ZINC000300881157 363098348 /nfs/dbraw/zinc/09/83/48/363098348.db2.gz ZJERLAWTRXMDRD-SVRRBLITSA-N 1 0 202.323 0.721 10 0 BCAERO CC1(C)CC[C@H](SCC(N)=O)[C@H]1[NH3+] ZINC000300881155 363098517 /nfs/dbraw/zinc/09/85/17/363098517.db2.gz ZJERLAWTRXMDRD-POYBYMJQSA-N 1 0 202.323 0.721 10 0 BCAERO COC(=O)[C@@H]1Cc2[nH]cnc2CN1C(C)C ZINC000012530375 351942776 /nfs/dbraw/zinc/94/27/76/351942776.db2.gz KVAOGOUOWHEORT-JTQLQIEISA-N 1 0 223.276 0.718 10 0 BCAERO C[C@@H](Nc1ccc(C(N)=O)cn1)[C@@H]1CCC[NH2+]C1 ZINC000050163914 187531999 /nfs/dbraw/zinc/53/19/99/187531999.db2.gz FPYDGLKDEPZJID-NXEZZACHSA-N 1 0 248.330 0.981 10 0 BCAERO CC[NH2+][C@H](C)C(=O)NC[C@@H]1CCCC[C@@H]1O ZINC000638011391 351887046 /nfs/dbraw/zinc/88/70/46/351887046.db2.gz QDTIAKCPTMTGOS-VWYCJHECSA-N 1 0 228.336 0.652 10 0 BCAERO CC[C@H](NC[C@H]1C[NH2+]CC12CCC2)C(=O)OC ZINC000725269533 538101764 /nfs/dbraw/zinc/10/17/64/538101764.db2.gz VGRAEAKZTCXMNX-MNOVXSKESA-N 1 0 240.347 0.917 10 0 BCAERO [NH3+][C@@H]1CC=C(C(=O)N2CCn3ccnc3C2)C1 ZINC000638096990 351977963 /nfs/dbraw/zinc/97/79/63/351977963.db2.gz PPNZFNZJDIJENI-SNVBAGLBSA-N 1 0 232.287 0.273 10 0 BCAERO CC(C)[S@](=O)N1C[C@H](C)C[C@H]([NH3+])C1 ZINC000307335450 352055004 /nfs/dbraw/zinc/05/50/04/352055004.db2.gz MZYCEYFPABYRGR-ZDMBXUJBSA-N 1 0 204.339 0.728 10 0 BCAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)c1cccnn1 ZINC000638204398 352063822 /nfs/dbraw/zinc/06/38/22/352063822.db2.gz DAUFULMTYXYPDL-DTWKUNHWSA-N 1 0 220.276 0.347 10 0 BCAERO [NH3+][C@H](c1cnsc1)[C@H]1COCCO1 ZINC000404746668 352024697 /nfs/dbraw/zinc/02/46/97/352024697.db2.gz AFTRPQJEXLUEPZ-HTQZYQBOSA-N 1 0 200.263 0.558 10 0 BCAERO Cc1conc1C(=O)NC[C@@H]1CC[NH2+]C1 ZINC000638165550 352029919 /nfs/dbraw/zinc/02/99/19/352029919.db2.gz OUBUBRTUXLXOIN-MRVPVSSYSA-N 1 0 209.249 0.322 10 0 BCAERO CC[NH2+][C@H](C)C(=O)N[C@@H]1CCO[C@@H]1C ZINC000638171415 352038563 /nfs/dbraw/zinc/03/85/63/352038563.db2.gz VTOUCPPXJPSBMM-IWSPIJDZSA-N 1 0 200.282 0.278 10 0 BCAERO CO[C@@H]1C[NH2+][C@](C)(C(=O)N[C@H]2CCO[C@@H]2C)C1 ZINC000638171842 352038794 /nfs/dbraw/zinc/03/87/94/352038794.db2.gz WKHVNNDUUWXLAN-WDCWCFNPSA-N 1 0 242.319 0.047 10 0 BCAERO CC1(C[NH2+]C2COCCOC2)COC1 ZINC000307340628 352079130 /nfs/dbraw/zinc/07/91/30/352079130.db2.gz JDWPRBSNUIKBLE-UHFFFAOYSA-N 1 0 201.266 0.028 10 0 BCAERO C[NH2+][C@H](C)CNC(=O)[C@@H]1C[C@H](C)O[C@H]1C ZINC000638221326 352080603 /nfs/dbraw/zinc/08/06/03/352080603.db2.gz HEDYTBQEHPLIDQ-XFWSIPNHSA-N 1 0 214.309 0.524 10 0 BCAERO C[NH2+][C@@H](C)CNC(=O)C1CC(OC)C1 ZINC000638221461 352081039 /nfs/dbraw/zinc/08/10/39/352081039.db2.gz WYDHQZYOKPFMNO-UEJVZZJDSA-N 1 0 200.282 0.136 10 0 BCAERO Cc1conc1C(=O)N1CC[C@H]([NH3+])[C@H]1C ZINC000638231830 352084211 /nfs/dbraw/zinc/08/42/11/352084211.db2.gz AFNLJQKMHRNOQL-SFYZADRCSA-N 1 0 209.249 0.545 10 0 BCAERO Cc1conc1C(=O)N1CC[C@@H]([NH3+])[C@@H]1C ZINC000638231827 352084412 /nfs/dbraw/zinc/08/44/12/352084412.db2.gz AFNLJQKMHRNOQL-JGVFFNPUSA-N 1 0 209.249 0.545 10 0 BCAERO Cc1cnn(CCNC(=O)C2=CC[C@@H]([NH3+])C2)c1 ZINC000638277076 352114107 /nfs/dbraw/zinc/11/41/07/352114107.db2.gz IJUYQEZZYYHFFH-LLVKDONJSA-N 1 0 234.303 0.355 10 0 BCAERO COC(=O)CC[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C ZINC000405201305 352115439 /nfs/dbraw/zinc/11/54/39/352115439.db2.gz CVOFPCWRBQFJSD-SFYZADRCSA-N 1 0 200.282 0.265 10 0 BCAERO [NH3+][C@H]1CCOC12CCN(C(=O)C1CC1)CC2 ZINC000725270167 538102080 /nfs/dbraw/zinc/10/20/80/538102080.db2.gz YDNBPIDJISYGDK-JTQLQIEISA-N 1 0 224.304 0.505 10 0 BCAERO CCN1CCO[C@H](C[NH2+][C@H](C)[C@@H]2CCOC2)C1 ZINC000252761116 538102450 /nfs/dbraw/zinc/10/24/50/538102450.db2.gz XFQKNEXPFAZUTI-JHJVBQTASA-N 1 0 242.363 0.722 10 0 BCAERO [NH3+]C1(C(=O)NCC2CC=CC2)CCOCC1 ZINC000638493402 352307307 /nfs/dbraw/zinc/30/73/07/352307307.db2.gz GXMLJPXFFMOGPD-UHFFFAOYSA-N 1 0 224.304 0.577 10 0 BCAERO CC(=O)Nc1ccc(CC[NH2+]CCO)cc1 ZINC000725271101 538103240 /nfs/dbraw/zinc/10/32/40/538103240.db2.gz ZCLMYJCGCQFYAY-UHFFFAOYSA-N 1 0 222.288 0.769 10 0 BCAERO CC(C)S(=O)(=O)N1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000725271421 538102967 /nfs/dbraw/zinc/10/29/67/538102967.db2.gz MNPJCZLCAZTCBS-NXEZZACHSA-N 1 0 234.365 0.641 10 0 BCAERO CC(C)S(=O)(=O)N1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000725271422 538102969 /nfs/dbraw/zinc/10/29/69/538102969.db2.gz MNPJCZLCAZTCBS-UWVGGRQHSA-N 1 0 234.365 0.641 10 0 BCAERO C[NH2+]CCOCCN(C)C(=O)C1CC(C)C1 ZINC000638589575 352420830 /nfs/dbraw/zinc/42/08/30/352420830.db2.gz DRXXHYZBDARQDG-UHFFFAOYSA-N 1 0 228.336 0.727 10 0 BCAERO COC[C@H]([NH3+])C(=O)NCC[C@@H]1CC=CCC1 ZINC000638601221 352436301 /nfs/dbraw/zinc/43/63/01/352436301.db2.gz OAQUZTWUPHAMLV-MNOVXSKESA-N 1 0 226.320 0.823 10 0 BCAERO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000638628065 352466623 /nfs/dbraw/zinc/46/66/23/352466623.db2.gz JTKJCVVMKMMYCR-AFTWZWCASA-N 1 0 240.347 0.770 10 0 BCAERO Cc1cc(C[NH2+]C[C@H]2CCC[C@H]2O)n(C)n1 ZINC000084244854 352467291 /nfs/dbraw/zinc/46/72/91/352467291.db2.gz CFECLCGVJRSMBA-ZYHUDNBSSA-N 1 0 223.320 0.979 10 0 BCAERO C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1NC(=O)[C@@H]1CC[NH2+]C1 ZINC000638630165 352468933 /nfs/dbraw/zinc/46/89/33/352468933.db2.gz QQXYNBAFRQCWFR-QGKZMRNZSA-N 1 0 226.320 0.524 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N1CCC(F)(F)C[C@@H]1C ZINC000638631866 352471939 /nfs/dbraw/zinc/47/19/39/352471939.db2.gz UIDFFKCNOOYJIT-JGVFFNPUSA-N 1 0 236.262 0.606 10 0 BCAERO CC(C)[C@H]([NH3+])C(=O)N[C@@H]1[C@H](C)O[C@H](C)[C@H]1C ZINC000638631083 352474150 /nfs/dbraw/zinc/47/41/50/352474150.db2.gz UQJCMYLPTJBFHA-UVOCVTCTSA-N 1 0 228.336 0.898 10 0 BCAERO C[C@]1(C(=O)N2CCO[C@H](CCF)C2)CCC[NH2+]1 ZINC000638683087 352520896 /nfs/dbraw/zinc/52/08/96/352520896.db2.gz CEHAWMSBDVYMKK-ZYHUDNBSSA-N 1 0 244.310 0.716 10 0 BCAERO O=C([C@H]1CCC[NH2+]C1)N1CCO[C@H](CCF)C1 ZINC000638683948 352521500 /nfs/dbraw/zinc/52/15/00/352521500.db2.gz NNGZVDWNYGWFFK-WDEREUQCSA-N 1 0 244.310 0.573 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCO[C@H](CCF)C1 ZINC000638684275 352521897 /nfs/dbraw/zinc/52/18/97/352521897.db2.gz RCCMVEILBHLSMQ-GMTAPVOTSA-N 1 0 244.310 0.429 10 0 BCAERO C[S@](=O)N1C[C@H]2C[NH2+]C[C@H]2C1(C)C ZINC000307436426 352596233 /nfs/dbraw/zinc/59/62/33/352596233.db2.gz PBWQQYOFNOTGAW-RBDZCENOSA-N 1 0 202.323 0.210 10 0 BCAERO C[C@@H]([NH3+])[C@](C)(O)c1c(Br)cnn1C ZINC000307444307 352597329 /nfs/dbraw/zinc/59/73/29/352597329.db2.gz UTOWRQUWEPXLKA-XRGYYRRGSA-N 1 0 248.124 0.737 10 0 BCAERO [NH3+][C@H](CC1OCCO1)c1cscn1 ZINC000307448279 352602721 /nfs/dbraw/zinc/60/27/21/352602721.db2.gz QGQRCBGLPMDDAZ-ZCFIWIBFSA-N 1 0 200.263 0.906 10 0 BCAERO Nc1cncc(Cl)c1N1CC[NH2+]CC1 ZINC000307448181 352603176 /nfs/dbraw/zinc/60/31/76/352603176.db2.gz YMVZXTSJYPZQPV-UHFFFAOYSA-N 1 0 212.684 0.727 10 0 BCAERO CCC[C@H]([NH3+])C(=O)NCCCOCCOC ZINC000040829936 352604459 /nfs/dbraw/zinc/60/44/59/352604459.db2.gz QOTHHUQFCNJZNX-JTQLQIEISA-N 1 0 232.324 0.283 10 0 BCAERO C[C@@H]1C[NH2+]C[C@]1(C)CNC(=O)C(F)(F)F ZINC000307451437 352607796 /nfs/dbraw/zinc/60/77/96/352607796.db2.gz SCAHVYRHJJGKTG-HTRCEHHLSA-N 1 0 224.226 0.911 10 0 BCAERO C[C@@H]1CC[C@@H]1NC(=O)[C@@H](F)C1C[NH2+]C1 ZINC000307460819 352610227 /nfs/dbraw/zinc/61/02/27/352610227.db2.gz IKSDMALNBAADQD-YEPSODPASA-N 1 0 200.257 0.459 10 0 BCAERO c1nsc(N2CCC[C@H]3C[NH2+]C[C@@H]32)n1 ZINC000232300382 352613038 /nfs/dbraw/zinc/61/30/38/352613038.db2.gz WTPIJFLTHLBYIQ-YUMQZZPRSA-N 1 0 210.306 0.726 10 0 BCAERO CCC[C@@H]1C[C@@H]1NC(=O)[C@H]1C[C@@H](OC)C[NH2+]1 ZINC000300358742 352560246 /nfs/dbraw/zinc/56/02/46/352560246.db2.gz KVANFQZLCIKUBE-CHWFTXMASA-N 1 0 226.320 0.668 10 0 BCAERO C[C@H](NC1=N[C@H](C)[C@H](C)S1)C(N)=O ZINC000307392658 352569102 /nfs/dbraw/zinc/56/91/02/352569102.db2.gz ZIPHCMUCCDWWPA-SRQIZXRXSA-N 1 0 201.295 0.330 10 0 BCAERO Cn1ncc(CC(=O)[C@@H]2CCC[C@H]2[NH3+])n1 ZINC000307399341 352571336 /nfs/dbraw/zinc/57/13/36/352571336.db2.gz WFEHYFFBVKZRGN-RKDXNWHRSA-N 1 0 208.265 0.054 10 0 BCAERO CC[S@](=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000307400201 352572643 /nfs/dbraw/zinc/57/26/43/352572643.db2.gz ZKYMPGHWYOBYSG-ZZIUEJKTSA-N 1 0 202.323 0.339 10 0 BCAERO CC[C@@H]1C[C@H]1NC(=O)[C@H]1C[NH2+]CCOC1 ZINC000638723347 352576966 /nfs/dbraw/zinc/57/69/66/352576966.db2.gz IWLBNZAZYGZDGZ-KXUCPTDWSA-N 1 0 212.293 0.137 10 0 BCAERO CC(C)C[C@@H]([NH3+])C(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000019423947 187762166 /nfs/dbraw/zinc/76/21/66/187762166.db2.gz FZALYKBJTVYQSS-GARJFASQSA-N 1 0 228.336 0.996 10 0 BCAERO [NH3+][C@H]1CCC[C@H](C(=O)NCc2ccc[nH]c2=O)C1 ZINC000638725952 352580693 /nfs/dbraw/zinc/58/06/93/352580693.db2.gz MIPLQNQJWKSZLM-ONGXEEELSA-N 1 0 249.314 0.921 10 0 BCAERO C[C@H]1[NH2+]CCC[C@@H]1C(=O)NCc1ccc[nH]c1=O ZINC000638725052 352581822 /nfs/dbraw/zinc/58/18/22/352581822.db2.gz FHMCTHPZJIWKLE-KOLCDFICSA-N 1 0 249.314 0.792 10 0 BCAERO C[C@H]1[NH2+]CCC[C@H]1C(=O)NCc1ccc[nH]c1=O ZINC000638725054 352582091 /nfs/dbraw/zinc/58/20/91/352582091.db2.gz FHMCTHPZJIWKLE-MWLCHTKSSA-N 1 0 249.314 0.792 10 0 BCAERO CN1C(=O)CC[C@H]([NH3+])[C@H]1c1csnn1 ZINC000307541389 352644852 /nfs/dbraw/zinc/64/48/52/352644852.db2.gz XRRXABDEFKFJNF-XNCJUZBTSA-N 1 0 212.278 0.159 10 0 BCAERO C[C@H](C(N)=S)[N@@H+]1CCO[C@@H](C)[C@H]1C ZINC000307543061 352645062 /nfs/dbraw/zinc/64/50/62/352645062.db2.gz DVDGKPOGYOUJQC-PRJMDXOYSA-N 1 0 202.323 0.770 10 0 BCAERO C[C@@]1(C[NH2+]C2CS(=O)(=O)C2)CCCS1 ZINC000307541825 352646121 /nfs/dbraw/zinc/64/61/21/352646121.db2.gz YHNIMDOOVKJBKP-VIFPVBQESA-N 1 0 235.374 0.659 10 0 BCAERO C[C@@H]1CC[C@@H]1[NH2+][C@H]1C=CS(=O)(=O)C1 ZINC000307545309 352646768 /nfs/dbraw/zinc/64/67/68/352646768.db2.gz JMLYCIVCEKIMKG-VGMNWLOBSA-N 1 0 201.291 0.685 10 0 BCAERO C[NH2+][C@H]1CCOC[C@H]1Cc1csnn1 ZINC000307564332 352652502 /nfs/dbraw/zinc/65/25/02/352652502.db2.gz DGFUQBQNHXOPLJ-APPZFPTMSA-N 1 0 213.306 0.705 10 0 BCAERO COC(=O)[C@@H]1C[NH2+]C[C@H]1C1CCOCC1 ZINC000229213139 352652785 /nfs/dbraw/zinc/65/27/85/352652785.db2.gz NBYDJFXOZNFYIK-VHSXEESVSA-N 1 0 213.277 0.422 10 0 BCAERO C[C@@H]1CCC[C@H]1[NH2+]C1CS(=O)(=O)C1 ZINC000307574103 352658338 /nfs/dbraw/zinc/65/83/38/352658338.db2.gz GTZLPNLUGXZLOL-VXNVDRBHSA-N 1 0 203.307 0.562 10 0 BCAERO COC1CCC2(C[NH2+]C[C@H]2C(N)=O)CC1 ZINC000229226145 352659820 /nfs/dbraw/zinc/65/98/20/352659820.db2.gz WEWSBHDJAFNJNI-YUCVTWSNSA-N 1 0 212.293 0.267 10 0 BCAERO CCOC(=O)COCC[NH2+][C@@H](C)COC ZINC000232428739 352661269 /nfs/dbraw/zinc/66/12/69/352661269.db2.gz HZYNBWLKJLXODU-VIFPVBQESA-N 1 0 219.281 0.191 10 0 BCAERO [NH3+][C@@H](C(=O)N1CCC[C@H]1CO)c1ccccc1 ZINC000042434863 187775164 /nfs/dbraw/zinc/77/51/64/187775164.db2.gz XVXCVJLKAMQGKX-NWDGAFQWSA-N 1 0 234.299 0.670 10 0 BCAERO CC(C)[S@](=O)N1[C@H](C)C[NH2+]C[C@H]1C ZINC000307595640 352665311 /nfs/dbraw/zinc/66/53/11/352665311.db2.gz LNRGCSLJQBVRHG-KKFJDGPESA-N 1 0 204.339 0.741 10 0 BCAERO Cc1ccccc1[C@@H]1C[NH2+]C[C@H]1C(N)=O ZINC000229235170 352666633 /nfs/dbraw/zinc/66/66/33/352666633.db2.gz SFVKEOLHFPPNIT-WDEREUQCSA-N 1 0 204.273 0.783 10 0 BCAERO NC(=O)[C@H]([NH3+])CNc1cc(F)cc(F)c1 ZINC000232443558 352667046 /nfs/dbraw/zinc/66/70/46/352667046.db2.gz OSTFCVCZXOYKSY-MRVPVSSYSA-N 1 0 215.203 0.189 10 0 BCAERO CC1(C)SC[C@H]1NC(=O)C1C[NH2+]C1 ZINC000307485476 352620838 /nfs/dbraw/zinc/62/08/38/352620838.db2.gz UPUVUYJSQJYMJH-SSDOTTSWSA-N 1 0 200.307 0.216 10 0 BCAERO O=[S@](C[C@H]1CC[NH2+]C1)C1CCOCC1 ZINC000307500172 352627332 /nfs/dbraw/zinc/62/73/32/352627332.db2.gz RUDSBQFHXNCLAL-LKFCYVNXSA-N 1 0 217.334 0.524 10 0 BCAERO O=[S@@](C[C@@H]1CC[NH2+]C1)C1CCOCC1 ZINC000307500176 352627674 /nfs/dbraw/zinc/62/76/74/352627674.db2.gz RUDSBQFHXNCLAL-OTYXRUKQSA-N 1 0 217.334 0.524 10 0 BCAERO CCC(=[NH2+])N1CCC[C@H](S(C)(=O)=O)C1 ZINC000307523474 352634115 /nfs/dbraw/zinc/63/41/15/352634115.db2.gz CNQDQRLHBAGDNF-QMMMGPOBSA-N 1 0 218.322 0.883 10 0 BCAERO C[NH+](C)C[C@@H]1COC[C@@H]1N1CCC(O)CC1 ZINC000725273897 538104993 /nfs/dbraw/zinc/10/49/93/538104993.db2.gz RAWZMNYEDQSYST-PWSUYJOCSA-N 1 0 228.336 0.020 10 0 BCAERO C[C@H]1C[NH2+]C[C@H]1C(=O)N(C)CCc1ccccn1 ZINC000104227075 187804639 /nfs/dbraw/zinc/80/46/39/187804639.db2.gz RAKKUAFRBVANAQ-WCQYABFASA-N 1 0 247.342 0.938 10 0 BCAERO Cn1ncc(Br)c1[C@H]([NH3+])CCO ZINC000307677150 352755404 /nfs/dbraw/zinc/75/54/04/352755404.db2.gz IJLMOLGPSCJFKA-ZCFIWIBFSA-N 1 0 234.097 0.565 10 0 BCAERO CC(C)C[NH+]1CCN([C@@H]2CCOC[C@@H]2O)CC1 ZINC000725273370 538105162 /nfs/dbraw/zinc/10/51/62/538105162.db2.gz XGMAMPNQYHSVJC-OLZOCXBDSA-N 1 0 242.363 0.410 10 0 BCAERO Cn1cnnc1CNC(=O)c1cccc(C[NH3+])c1 ZINC000050416777 180793180 /nfs/dbraw/zinc/79/31/80/180793180.db2.gz YCDNAVULEFZMAO-UHFFFAOYSA-N 1 0 245.286 0.204 10 0 BCAERO CCN1CCO[C@@H](C[NH2+][C@@H](COC)C(C)C)C1 ZINC000092052935 538105936 /nfs/dbraw/zinc/10/59/36/538105936.db2.gz SPCCRUGKPDZWHL-STQMWFEESA-N 1 0 244.379 0.968 10 0 BCAERO C[C@H]([NH3+])c1ncn(Cc2csnn2)n1 ZINC000307687665 352920273 /nfs/dbraw/zinc/92/02/73/352920273.db2.gz FBGUZBCITCXAKS-YFKPBYRVSA-N 1 0 210.266 0.198 10 0 BCAERO CCC[C@H]([NH3+])C(=O)NC[C@H]1C[C@@H](OC)C1 ZINC000638806489 352979445 /nfs/dbraw/zinc/97/94/45/352979445.db2.gz GWLBGYRYUMOMML-AEJSXWLSSA-N 1 0 214.309 0.655 10 0 BCAERO C1Cc2nc(N3CCOCC3)sc2C[NH2+]1 ZINC000085955719 323941344 /nfs/dbraw/zinc/94/13/44/323941344.db2.gz YIFURFAKYGMDQV-UHFFFAOYSA-N 1 0 225.317 0.625 10 0 BCAERO CC(C)[C@H]([NH3+])[C@H]1CCS(=O)(=O)[C@H]1C ZINC000306206404 352994090 /nfs/dbraw/zinc/99/40/90/352994090.db2.gz VKXBMLQDYZDLMF-CIUDSAMLSA-N 1 0 205.323 0.793 10 0 BCAERO [NH3+][C@@]1(CCC2CC2)CCS(=O)(=O)C1 ZINC000306675749 353033345 /nfs/dbraw/zinc/03/33/45/353033345.db2.gz UGDGPIZQEJPERO-VIFPVBQESA-N 1 0 203.307 0.693 10 0 BCAERO [NH3+][C@]1(CCC2CC2)CCS(=O)(=O)C1 ZINC000306675748 353033496 /nfs/dbraw/zinc/03/34/96/353033496.db2.gz UGDGPIZQEJPERO-SECBINFHSA-N 1 0 203.307 0.693 10 0 BCAERO C[C@@H]([NH3+])CN1CC(F)(F)C(F)(F)C1 ZINC000306217956 352995333 /nfs/dbraw/zinc/99/53/33/352995333.db2.gz DWBRCESFBHBXIL-RXMQYKEDSA-N 1 0 200.179 0.920 10 0 BCAERO CC1(C)CCC([C@@H](O)[C@@H]([NH3+])CO)CC1 ZINC000306690589 323948758 /nfs/dbraw/zinc/94/87/58/323948758.db2.gz MRFATEOTGWGPFZ-VHSXEESVSA-N 1 0 201.310 0.883 10 0 BCAERO COC[C@H](C)CC(=O)N1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000638890265 353058751 /nfs/dbraw/zinc/05/87/51/353058751.db2.gz DHNRFUMGUKRRHR-VWYCJHECSA-N 1 0 228.336 0.712 10 0 BCAERO C[C@H]1CN(C(=O)CC(F)(F)F)C[C@@H]1C[NH3+] ZINC000638891154 353059608 /nfs/dbraw/zinc/05/96/08/353059608.db2.gz TTYPEZSWGGVBPD-BQBZGAKWSA-N 1 0 224.226 0.992 10 0 BCAERO C[C@@H]1CN(C(=O)c2ccn(C)n2)C[C@H]1C[NH3+] ZINC000638900095 353062480 /nfs/dbraw/zinc/06/24/80/353062480.db2.gz GGZLACZAGSMSCZ-RKDXNWHRSA-N 1 0 222.292 0.087 10 0 BCAERO Cc1conc1C(=O)N1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000638901396 353062996 /nfs/dbraw/zinc/06/29/96/353062996.db2.gz JJHAIRDFKTULLP-CBAPKCEASA-N 1 0 223.276 0.650 10 0 BCAERO CO[C@H](C(=O)N1C[C@H](C)[C@@H](C[NH3+])C1)C1CCC1 ZINC000638902646 353063595 /nfs/dbraw/zinc/06/35/95/353063595.db2.gz LISWFVMUQLHBHT-DLOVCJGASA-N 1 0 240.347 0.855 10 0 BCAERO COC1CC(C(=O)N2C[C@@H](C)[C@@H](C[NH3+])C2)C1 ZINC000638901907 353063684 /nfs/dbraw/zinc/06/36/84/353063684.db2.gz KLSYTZSNXMKACD-VKAADOFISA-N 1 0 226.320 0.465 10 0 BCAERO COC1CC(C(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)C1 ZINC000638901905 353063771 /nfs/dbraw/zinc/06/37/71/353063771.db2.gz KLSYTZSNXMKACD-BZCXBAJXSA-N 1 0 226.320 0.465 10 0 BCAERO C[C@@H]1CN(C(=O)CC[C@@H]2CCOC2)C[C@@H]1C[NH3+] ZINC000638908481 353070846 /nfs/dbraw/zinc/07/08/46/353070846.db2.gz AAMHZAULRCFLHA-UTUOFQBUSA-N 1 0 240.347 0.856 10 0 BCAERO Cc1cc(C(=O)N2C[C@@H](C)[C@@H](C[NH3+])C2)n(C)n1 ZINC000638885040 353052013 /nfs/dbraw/zinc/05/20/13/353052013.db2.gz AOFLXPMYXVVBFM-SCZZXKLOSA-N 1 0 236.319 0.395 10 0 BCAERO COCCC(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000638885669 353052784 /nfs/dbraw/zinc/05/27/84/353052784.db2.gz DLVGQBVNLIJMIM-RKDXNWHRSA-N 1 0 200.282 0.076 10 0 BCAERO C[C@H]1CN(C(=O)c2ncccc2O)C[C@H]1C[NH3+] ZINC000638893009 353054571 /nfs/dbraw/zinc/05/45/71/353054571.db2.gz LETCHFZEFBZXPT-DTWKUNHWSA-N 1 0 235.287 0.454 10 0 BCAERO CN(C(=O)C(F)(F)F)[C@@]1(C)CC[NH2+]C1 ZINC000307721972 353111086 /nfs/dbraw/zinc/11/10/86/353111086.db2.gz RJTRCAZURSLFGD-ZETCQYMHSA-N 1 0 210.199 0.759 10 0 BCAERO CC(C)[S@@](=O)N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000307727661 353114583 /nfs/dbraw/zinc/11/45/83/353114583.db2.gz FHWNLUYZFTYDNM-JRKPZEMJSA-N 1 0 204.339 0.741 10 0 BCAERO C[C@@H](NC(N)=S)C1CC[NH+](C)CC1 ZINC000307511179 353079963 /nfs/dbraw/zinc/07/99/63/353079963.db2.gz WRWJPJMGLQCAHO-SSDOTTSWSA-N 1 0 201.339 0.550 10 0 BCAERO Cn1nccc1NC(=O)C[C@@H]1CCCC[NH2+]1 ZINC000044593827 180849666 /nfs/dbraw/zinc/84/96/66/180849666.db2.gz CTAWPSRDVUJVNE-VIFPVBQESA-N 1 0 222.292 0.891 10 0 BCAERO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](O)C1 ZINC000304473691 188076196 /nfs/dbraw/zinc/07/61/96/188076196.db2.gz GZAKNMXUXHQRFC-VXGBXAGGSA-N 1 0 240.347 0.843 10 0 BCAERO CC(C)N(CCO)C(=O)C1CC[NH2+]CC1 ZINC000036136040 188103901 /nfs/dbraw/zinc/10/39/01/188103901.db2.gz NNJPZOKNQADCMG-UHFFFAOYSA-N 1 0 214.309 0.215 10 0 BCAERO C=CC(=O)Nc1nc2c(s1)C[NH2+]CC2 ZINC000036233119 188112080 /nfs/dbraw/zinc/11/20/80/188112080.db2.gz JNEMRORKRQIGHE-UHFFFAOYSA-N 1 0 209.274 0.913 10 0 BCAERO CNC(=O)c1ccc(N)c(OCC[NH+](C)C)c1 ZINC000036292275 188112170 /nfs/dbraw/zinc/11/21/70/188112170.db2.gz JBXWXDOZEKTKFR-UHFFFAOYSA-N 1 0 237.303 0.569 10 0 BCAERO CC(C)CS(=O)(=O)NC1CC[NH2+]CC1 ZINC000070633737 188113298 /nfs/dbraw/zinc/11/32/98/188113298.db2.gz DHXNEHGUYLUNNP-UHFFFAOYSA-N 1 0 220.338 0.314 10 0 BCAERO [NH3+]Cc1ccccc1OC[C@@H]1CNC(=O)O1 ZINC000037699002 188113864 /nfs/dbraw/zinc/11/38/64/188113864.db2.gz ZJDLHYSFCIOLTA-VIFPVBQESA-N 1 0 222.244 0.633 10 0 BCAERO Cc1n[nH]c(C)c1C(=O)N(C)[C@@H]1CCC[NH2+]C1 ZINC000037540852 188114007 /nfs/dbraw/zinc/11/40/07/188114007.db2.gz IUHRXMNKSASPHX-SNVBAGLBSA-N 1 0 236.319 0.851 10 0 BCAERO COc1ncccc1CNC[C@@H](O)C[NH+](C)C ZINC000037894086 188115084 /nfs/dbraw/zinc/11/50/84/188115084.db2.gz JCIJOXBERUAZLO-LLVKDONJSA-N 1 0 239.319 0.102 10 0 BCAERO CCC[NH2+][C@@H](C(N)=O)c1ccc(O)c(OC)c1 ZINC000037946371 188115851 /nfs/dbraw/zinc/11/58/51/188115851.db2.gz BYQPUCDUGXNBDF-LLVKDONJSA-N 1 0 238.287 0.927 10 0 BCAERO COc1ccc(CNC2CC[NH2+]CC2)cn1 ZINC000038040750 188116705 /nfs/dbraw/zinc/11/67/05/188116705.db2.gz YVQHJUZFKISNQJ-UHFFFAOYSA-N 1 0 221.304 0.932 10 0 BCAERO C(NC1=[NH+]CCCS1)[C@H]1COCCO1 ZINC000038062790 188116863 /nfs/dbraw/zinc/11/68/63/188116863.db2.gz OFHLMNOGZNYPAI-QMMMGPOBSA-N 1 0 216.306 0.484 10 0 BCAERO CC(C)=CCN(C)CC(=O)N1CC[NH2+]CC1 ZINC000038031398 188117101 /nfs/dbraw/zinc/11/71/01/188117101.db2.gz QMSAIOWFRVCYDI-UHFFFAOYSA-N 1 0 225.336 0.316 10 0 BCAERO Cc1n[nH]c(C)c1C(=O)N1CCC[C@H]([NH3+])C1 ZINC000041028181 188118673 /nfs/dbraw/zinc/11/86/73/188118673.db2.gz HLQQYPSQTCPZCF-VIFPVBQESA-N 1 0 222.292 0.590 10 0 BCAERO CC(C)([NH3+])CS(=O)(=O)N1CCCCC1 ZINC000041234328 188118798 /nfs/dbraw/zinc/11/87/98/188118798.db2.gz CZTXLIRPJUVRJB-UHFFFAOYSA-N 1 0 220.338 0.539 10 0 BCAERO CC(=O)NCCn1ccc2c1CCC[C@H]2[NH3+] ZINC000041730820 188119410 /nfs/dbraw/zinc/11/94/10/188119410.db2.gz BMHXUORXVLUUHZ-LLVKDONJSA-N 1 0 221.304 0.960 10 0 BCAERO CC(C)N(CCCO)c1ncccc1C(N)=[NH2+] ZINC000042507743 188120590 /nfs/dbraw/zinc/12/05/90/188120590.db2.gz OIXDCWAQQQOOBK-UHFFFAOYSA-N 1 0 236.319 0.963 10 0 BCAERO C[N@@H+]1CCC[C@@H](CNC(=O)c2c[nH]nc2N)C1 ZINC000044560235 188123651 /nfs/dbraw/zinc/12/36/51/188123651.db2.gz YBOLEHKEYZXVGS-QMMMGPOBSA-N 1 0 237.307 0.064 10 0 BCAERO CC(C)(C)n1ccnc(O[C@@H]2CC[NH2+]C2)c1=O ZINC000061771607 188128180 /nfs/dbraw/zinc/12/81/80/188128180.db2.gz JGEOZPOUXXTVIA-SECBINFHSA-N 1 0 237.303 0.739 10 0 BCAERO CCCn1ccnc(N(C)CC[NH2+]CC)c1=O ZINC000061776533 188128191 /nfs/dbraw/zinc/12/81/91/188128191.db2.gz FDSFWDMYGUTMAU-UHFFFAOYSA-N 1 0 238.335 0.699 10 0 BCAERO CC(C)Cn1ccnc(N[C@@H]2C[C@H]2[NH3+])c1=O ZINC000061767310 188128294 /nfs/dbraw/zinc/12/82/94/188128294.db2.gz NKXHASWQBDKLCD-RKDXNWHRSA-N 1 0 222.292 0.411 10 0 BCAERO COc1ccc(Cn2nnnc2[C@H](C)[NH3+])cc1 ZINC000062494597 188128879 /nfs/dbraw/zinc/12/88/79/188128879.db2.gz GNTLSRMAGPYGIM-QMMMGPOBSA-N 1 0 233.275 0.750 10 0 BCAERO CC(=O)NCC[NH2+]Cc1cnc2cc(C)nn2c1 ZINC000070165983 188130716 /nfs/dbraw/zinc/13/07/16/188130716.db2.gz MPHYPZBQZBDFOC-UHFFFAOYSA-N 1 0 247.302 0.263 10 0 BCAERO C[C@H]([NH2+][C@@H]1CCNC1=O)[C@@H]1CCCCO1 ZINC000380302712 538110626 /nfs/dbraw/zinc/11/06/26/538110626.db2.gz DYORJFISBRGRLC-AEJSXWLSSA-N 1 0 212.293 0.422 10 0 BCAERO CC(=O)N[C@@H]1CCCN(C(=O)[C@H]([NH3+])C(C)C)C1 ZINC000037815205 188152330 /nfs/dbraw/zinc/15/23/30/188152330.db2.gz YHRSGTSNEJSAOV-GHMZBOCLSA-N 1 0 241.335 0.097 10 0 BCAERO Cc1cc(NC(=O)[C@H]2C[C@@H](O)C[NH2+]2)cs1 ZINC000638994760 353234699 /nfs/dbraw/zinc/23/46/99/353234699.db2.gz SDRFTYQQWGDIAM-RKDXNWHRSA-N 1 0 226.301 0.718 10 0 BCAERO CC(C)N(C)C(=O)CN1CC[C@H](C)C[C@@H]1C[NH3+] ZINC000224843889 188154632 /nfs/dbraw/zinc/15/46/32/188154632.db2.gz CVOSGFMRTJWJMV-NWDGAFQWSA-N 1 0 241.379 0.912 10 0 BCAERO C(CN1CCOCC1)NC1=[NH+]CCCS1 ZINC000015417749 188168707 /nfs/dbraw/zinc/16/87/07/188168707.db2.gz GNVXTQNRLAIXSH-UHFFFAOYSA-N 1 0 229.349 0.401 10 0 BCAERO CC(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C)CC(N)=O ZINC000309667152 188168900 /nfs/dbraw/zinc/16/89/00/188168900.db2.gz IJVHBFVCTYNNCY-SCVCMEIPSA-N 1 0 228.336 0.901 10 0 BCAERO CC(C)[C@@H]1CNCC[N@@H+]1C(C)(C)CO ZINC000083343510 188179464 /nfs/dbraw/zinc/17/94/64/188179464.db2.gz FBRDMUYPDRABPN-JTQLQIEISA-N 1 0 200.326 0.687 10 0 BCAERO OCC[NH2+]Cc1ccc(OCCO)cc1 ZINC000013730974 188187080 /nfs/dbraw/zinc/18/70/80/188187080.db2.gz HYQVAFFUWACXDA-UHFFFAOYSA-N 1 0 211.261 0.140 10 0 BCAERO CC(=O)CCC(=O)N1C[C@@H](C)[C@H]([NH+](C)C)C1 ZINC000123993488 188188449 /nfs/dbraw/zinc/18/84/49/188188449.db2.gz JVIFXRVQDCCDEO-MWLCHTKSSA-N 1 0 226.320 0.764 10 0 BCAERO CC(C)N1CCN(C)C2(CC[NH2+]CC2)C1=O ZINC000306143678 188218571 /nfs/dbraw/zinc/21/85/71/188218571.db2.gz YIRYUXDCBREKLP-UHFFFAOYSA-N 1 0 225.336 0.291 10 0 BCAERO Cn1ccs/c1=N\C(=O)[C@@H]1CCC[NH2+]1 ZINC000073343888 188221600 /nfs/dbraw/zinc/22/16/00/188221600.db2.gz WYMHBCPTSYEUFH-NLMLTAHDSA-N 1 0 211.290 0.266 10 0 BCAERO CC(C)[C@@H]([NH3+])C(=O)N[C@]1(C)CCOC1 ZINC000229461136 353259191 /nfs/dbraw/zinc/25/91/91/353259191.db2.gz YTRUMALAFWGDHD-PSASIEDQSA-N 1 0 200.282 0.265 10 0 BCAERO CN(Cc1ncc[nH]1)C(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000639012798 353266911 /nfs/dbraw/zinc/26/69/11/353266911.db2.gz FUUWHAWWGUKFIW-JGVFFNPUSA-N 1 0 226.255 0.068 10 0 BCAERO CCN1CCO[C@H](C[NH2+][C@@H]2CCO[C@@H](C)C2)C1 ZINC000225800451 538113990 /nfs/dbraw/zinc/11/39/90/538113990.db2.gz AUOZXNKDVKZMAQ-YNEHKIRRSA-N 1 0 242.363 0.864 10 0 BCAERO C[C@@H]1C[N@H+](CCC(N)=S)[C@@H](C)CO1 ZINC000223213692 353359885 /nfs/dbraw/zinc/35/98/85/353359885.db2.gz RJRBZVIBPNOZKD-JGVFFNPUSA-N 1 0 202.323 0.772 10 0 BCAERO CCN1CCN(C(=O)[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000055086484 353346245 /nfs/dbraw/zinc/34/62/45/353346245.db2.gz NKMWOPPKMHIOCY-RYUDHWBXSA-N 1 0 239.363 0.668 10 0 BCAERO [NH3+]CCC(=O)Nc1ccc(Cl)nn1 ZINC000160175839 353375251 /nfs/dbraw/zinc/37/52/51/353375251.db2.gz WDTLWGWEOPRNSW-UHFFFAOYSA-N 1 0 200.629 0.417 10 0 BCAERO C[C@@H]([NH3+])CC(=O)Nc1ccc(Cl)nn1 ZINC000160180473 353376672 /nfs/dbraw/zinc/37/66/72/353376672.db2.gz RPHLPJDJVDWITE-RXMQYKEDSA-N 1 0 214.656 0.806 10 0 BCAERO CN(CC(F)(F)CN)[C@H]1CC[N@H+](C)C1 ZINC000308571923 538116896 /nfs/dbraw/zinc/11/68/96/538116896.db2.gz KSTNJLDGZCFARO-QMMMGPOBSA-N 1 0 207.268 0.216 10 0 BCAERO [NH3+][C@@H]1CCCN(C[C@H]2CCOCO2)C1 ZINC000230647129 353519935 /nfs/dbraw/zinc/51/99/35/353519935.db2.gz UUEWDOWRNVYBTL-NXEZZACHSA-N 1 0 200.282 0.173 10 0 BCAERO COCCOCC[N@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000231670655 353642359 /nfs/dbraw/zinc/64/23/59/353642359.db2.gz WVFGRMDJJMBFBQ-GFCCVEGCSA-N 1 0 230.352 0.723 10 0 BCAERO CCOC(=O)C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000042389693 188476730 /nfs/dbraw/zinc/47/67/30/188476730.db2.gz BLLYBSRGCUILDJ-UHFFFAOYSA-N 1 0 242.319 0.350 10 0 BCAERO Fc1cccnc1NCCN1CC[NH2+]CC1 ZINC000054701002 181016170 /nfs/dbraw/zinc/01/61/70/181016170.db2.gz IUMSVHVMVNBETP-UHFFFAOYSA-N 1 0 224.283 0.538 10 0 BCAERO CCN(C[C@H]1CCCO1)C(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000233511867 353825426 /nfs/dbraw/zinc/82/54/26/353825426.db2.gz XLZRCYQWEMBXGM-IJLUTSLNSA-N 1 0 240.347 0.869 10 0 BCAERO Cc1oncc1C(=O)N1CCC[C@H]([NH3+])C1 ZINC000041028283 188503810 /nfs/dbraw/zinc/50/38/10/188503810.db2.gz MLZAXKGHHNEXCQ-QMMMGPOBSA-N 1 0 209.249 0.546 10 0 BCAERO CC[C@H]([C@H](C)[NH3+])[C@H]1CCS(=O)(=O)C1 ZINC000252458297 363263945 /nfs/dbraw/zinc/26/39/45/363263945.db2.gz XNWQIHOPSYXYAT-XHNCKOQMSA-N 1 0 205.323 0.795 10 0 BCAERO Cc1nnc(Sc2ncccc2C(N)=[NH2+])n1C ZINC000104175942 188505561 /nfs/dbraw/zinc/50/55/61/188505561.db2.gz QDPIRWNIQTYTNF-UHFFFAOYSA-N 1 0 248.315 0.954 10 0 BCAERO COC(=O)CN(C[C@H]1CCC[NH2+]C1)C1CC1 ZINC000220384641 353838688 /nfs/dbraw/zinc/83/86/88/353838688.db2.gz CSANFJQGMHDBDY-JTQLQIEISA-N 1 0 226.320 0.623 10 0 BCAERO CC(=O)N[C@H](C)C(=O)N[C@H]1CC[C@@H]([NH+](C)C)C1 ZINC000337164101 188541565 /nfs/dbraw/zinc/54/15/65/188541565.db2.gz WOSQLBWYRPHBBJ-DVVUODLYSA-N 1 0 241.335 0.110 10 0 BCAERO CO[C@H]1C[C@@H](CO)[N@H+](CC2=CCCOC2)C1 ZINC000344015655 354078286 /nfs/dbraw/zinc/07/82/86/354078286.db2.gz LQDDVQBFUSBMDX-RYUDHWBXSA-N 1 0 227.304 0.415 10 0 BCAERO CC1(C)[C@@H](C[NH3+])[C@]12CCS(=O)(=O)C2 ZINC000301025684 363339627 /nfs/dbraw/zinc/33/96/27/363339627.db2.gz RUGHLJWYCSYPNB-VXNVDRBHSA-N 1 0 203.307 0.406 10 0 BCAERO OCCN(CC(F)F)C[C@@H]1CCC[NH2+]C1 ZINC000231618299 363345433 /nfs/dbraw/zinc/34/54/33/363345433.db2.gz DWUQUQYLDRYLRJ-SECBINFHSA-N 1 0 222.279 0.545 10 0 BCAERO C[NH2+]C[C@H]1C(C)(C)[C@]12CCS(=O)(=O)C2 ZINC000301033017 363357661 /nfs/dbraw/zinc/35/76/61/363357661.db2.gz VRSGMWNDDDSFGG-WPRPVWTQSA-N 1 0 217.334 0.667 10 0 BCAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@@H]1CCOC1 ZINC000113229498 354275784 /nfs/dbraw/zinc/27/57/84/354275784.db2.gz IFZLNOAMUNCSFD-IJLUTSLNSA-N 1 0 238.331 0.718 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)N2CC[NH2+][C@H](C)[C@H]2C)O1 ZINC000379449330 358488461 /nfs/dbraw/zinc/48/84/61/358488461.db2.gz ANALHVAKXBARRT-GWOFURMSSA-N 1 0 226.320 0.763 10 0 BCAERO Cn1c(Cl)cnc1[C@@H]1OC[C@@H](C[NH3+])O1 ZINC000301046258 363374039 /nfs/dbraw/zinc/37/40/39/363374039.db2.gz YISLFGFNHKGWFA-SVGQVSJJSA-N 1 0 217.656 0.446 10 0 BCAERO CSCCC(=O)N1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000235032447 363436268 /nfs/dbraw/zinc/43/62/68/363436268.db2.gz AVEBGVCMDFAUJK-SFYZADRCSA-N 1 0 202.323 0.545 10 0 BCAERO C[C@H](N)[C@H](CO)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000224817693 363442873 /nfs/dbraw/zinc/44/28/73/363442873.db2.gz OIJPSJNQQURUCU-VLEAKVRGSA-N 1 0 200.326 0.672 10 0 BCAERO CC1(C)O[C@H]2[C@@H](O1)[C@H]1CCC[N@@H+]1C[C@H]2O ZINC000584658871 491070636 /nfs/dbraw/zinc/07/06/36/491070636.db2.gz NFZODDOTKFNFJP-DOLQZWNJSA-N 1 0 213.277 0.345 10 0 BCAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CN(C)C ZINC000113444719 354999196 /nfs/dbraw/zinc/99/91/96/354999196.db2.gz ISUMYGRNWRFHAU-GHMZBOCLSA-N 1 0 225.336 0.243 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N1CC[C@@H]2OCC[C@@H]2C1 ZINC000583500742 355333561 /nfs/dbraw/zinc/33/35/61/355333561.db2.gz DCXMEVOSKKJCMP-VWYCJHECSA-N 1 0 226.320 0.751 10 0 BCAERO [NH2+]=C1NC[C@@H](c2ncc(Cl)s2)N1 ZINC000223337115 355375123 /nfs/dbraw/zinc/37/51/23/355375123.db2.gz SHCSBNFLEWRBPL-VKHMYHEASA-N 1 0 202.670 0.756 10 0 BCAERO C[C@@H]1C[C@@H](CNC(=O)[C@H]2CC[NH2+]C2)CCO1 ZINC000388981416 355386570 /nfs/dbraw/zinc/38/65/70/355386570.db2.gz OATUCAWQUJIJMX-VWYCJHECSA-N 1 0 226.320 0.527 10 0 BCAERO N#Cc1cnccc1N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000399090513 355358697 /nfs/dbraw/zinc/35/86/97/355358697.db2.gz TUNVYRWNTXZZEY-KOLCDFICSA-N 1 0 216.288 0.914 10 0 BCAERO NC(=[NH2+])c1ccc(Cn2cncn2)cc1 ZINC000019510695 181194951 /nfs/dbraw/zinc/19/49/51/181194951.db2.gz MBKSVNZNELKNSO-UHFFFAOYSA-N 1 0 201.233 0.610 10 0 BCAERO NC(=[NH2+])c1cccnc1OC[C@@H]1CCCO1 ZINC000019479828 181195900 /nfs/dbraw/zinc/19/59/00/181195900.db2.gz ONVZYZDZJGLETB-QMMMGPOBSA-N 1 0 221.260 0.923 10 0 BCAERO COC[C@@H]([NH3+])[C@@H]1CCc2occc2C1=O ZINC000166481193 355529986 /nfs/dbraw/zinc/52/99/86/355529986.db2.gz VPSKUIZMZRHAAV-IONNQARKSA-N 1 0 209.245 0.998 10 0 BCAERO NC(=[NH2+])c1ccccc1OCCN1CCOCC1 ZINC000019840798 181196622 /nfs/dbraw/zinc/19/66/22/181196622.db2.gz XBNBWMLFEYKAAU-UHFFFAOYSA-N 1 0 249.314 0.682 10 0 BCAERO NC(=[NH2+])n1ncc(-c2ccncc2)c1N ZINC000138521900 181197102 /nfs/dbraw/zinc/19/71/02/181197102.db2.gz RUKBGTKZFHURED-UHFFFAOYSA-N 1 0 202.221 0.269 10 0 BCAERO NC(=[NH2+])c1nccnc1N(CCO)C1CCCC1 ZINC000054379997 181197138 /nfs/dbraw/zinc/19/71/38/181197138.db2.gz OPUYNSAMBGDFGW-UHFFFAOYSA-N 1 0 249.318 0.502 10 0 BCAERO [NH2+]=C(c1ccccc1)N1CCN(CCO)CC1 ZINC000062989904 181206929 /nfs/dbraw/zinc/20/69/29/181206929.db2.gz LCGVWOMEKRTQNS-UHFFFAOYSA-N 1 0 233.315 0.622 10 0 BCAERO CO[C@]1(C[NH2+]CC2CC(O)C2)CCOC1 ZINC000639352329 355801285 /nfs/dbraw/zinc/80/12/85/355801285.db2.gz HLBAHFHRNUSPSO-ILDUYXDCSA-N 1 0 215.293 0.152 10 0 BCAERO NC(=O)CC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000042438584 181219685 /nfs/dbraw/zinc/21/96/85/181219685.db2.gz YMTYJSXCTVNHLH-NEPJUHHUSA-N 1 0 240.347 0.877 10 0 BCAERO CC[N@@H+]1CC[C@@H](Nc2cc(C)nc3ncnn32)C1 ZINC000389234184 355933840 /nfs/dbraw/zinc/93/38/40/355933840.db2.gz JFYLKNSNYPWROK-SNVBAGLBSA-N 1 0 246.318 0.939 10 0 BCAERO CC[N@@H+]1CC[C@H](Nc2cc(C)nc3ncnn32)C1 ZINC000389234183 355934118 /nfs/dbraw/zinc/93/41/18/355934118.db2.gz JFYLKNSNYPWROK-JTQLQIEISA-N 1 0 246.318 0.939 10 0 BCAERO NC(=O)C1CCC([NH2+][C@@H]2CCC[C@H]2O)CC1 ZINC000038091874 181216796 /nfs/dbraw/zinc/21/67/96/181216796.db2.gz VGCVZJUFSOHEQR-JPPWEJMLSA-N 1 0 226.320 0.534 10 0 BCAERO Cc1cnn(CC[NH2+][C@@H]2CCCOC2)c1 ZINC000227080474 491085544 /nfs/dbraw/zinc/08/55/44/491085544.db2.gz LATVNXLZBDXDHL-LLVKDONJSA-N 1 0 209.293 0.960 10 0 BCAERO NC(=O)C1CC[NH+](Cc2ccccc2N)CC1 ZINC000019275686 181217381 /nfs/dbraw/zinc/21/73/81/181217381.db2.gz MQKAZGHHCQHARW-UHFFFAOYSA-N 1 0 233.315 0.966 10 0 BCAERO [NH3+][C@@H]1CC[C@H]2CN(C(=O)Cc3cc[nH]n3)C[C@H]12 ZINC000351165835 355957082 /nfs/dbraw/zinc/95/70/82/355957082.db2.gz LTVQQEDXEYMDGZ-INTQDDNPSA-N 1 0 234.303 0.148 10 0 BCAERO CC(C)(C)OC(=O)[C@]12C[NH2+]C[C@@H]1COC2 ZINC000167194367 355968702 /nfs/dbraw/zinc/96/87/02/355968702.db2.gz FDBGUEUAWVKSRM-KCJUWKMLSA-N 1 0 213.277 0.564 10 0 BCAERO NC(=O)CC[N@@H+]1CCc2c(N)cccc2C1 ZINC000042340285 181223714 /nfs/dbraw/zinc/22/37/14/181223714.db2.gz VOYBPGZTIWCFBH-UHFFFAOYSA-N 1 0 219.288 0.502 10 0 BCAERO NC(=O)CC[C@H]([NH3+])c1ccc2[nH]c(=O)oc2c1 ZINC000037636730 181228097 /nfs/dbraw/zinc/22/80/97/181228097.db2.gz QSDODBYAXUGRAB-ZETCQYMHSA-N 1 0 235.243 0.386 10 0 BCAERO NC(=O)NC(=O)C[NH2+]Cc1ccc(F)c(F)c1 ZINC000049577821 181254790 /nfs/dbraw/zinc/25/47/90/181254790.db2.gz SPJNKELRTGFXAJ-UHFFFAOYSA-N 1 0 243.213 0.249 10 0 BCAERO NC(=O)NC(=O)C[NH2+]Cc1ccc(F)cc1 ZINC000020052297 181254947 /nfs/dbraw/zinc/25/49/47/181254947.db2.gz KMRRUZWDTSCOIC-UHFFFAOYSA-N 1 0 225.223 0.110 10 0 BCAERO O[C@H]1C[NH2+]C[C@@H]1CNc1ncccc1Cl ZINC000420258507 192188969 /nfs/dbraw/zinc/18/89/69/192188969.db2.gz XTJBSZOEUSXVIR-APPZFPTMSA-N 1 0 227.695 0.727 10 0 BCAERO NC(=O)[C@@H]([NH2+]CC1CC1)c1ccc(O)cc1 ZINC000038000920 181265113 /nfs/dbraw/zinc/26/51/13/181265113.db2.gz VTEFLPDFFOPABK-NSHDSACASA-N 1 0 220.272 0.918 10 0 BCAERO NC(=O)[C@@H]([NH2+]Cc1ccccc1)[C@H]1CCOC1 ZINC000037941258 181264961 /nfs/dbraw/zinc/26/49/61/181264961.db2.gz GTMMIFJJAPNXJQ-RYUDHWBXSA-N 1 0 234.299 0.667 10 0 BCAERO NC(=O)[C@@H]([C@@H]1CC=CCC1)N1CC[NH2+]CC1 ZINC000037945762 181265825 /nfs/dbraw/zinc/26/58/25/181265825.db2.gz ZIHMFSPFFZYLAO-GHMZBOCLSA-N 1 0 223.320 0.102 10 0 BCAERO NC(=O)[C@@H](c1cccc(O)c1)N1CCC[NH2+]CC1 ZINC000037943857 181266081 /nfs/dbraw/zinc/26/60/81/181266081.db2.gz JCEIPSRIPIITHB-GFCCVEGCSA-N 1 0 249.314 0.214 10 0 BCAERO CC(C)N1CC[C@H](N2C[C@@H](C)[C@@H]([NH3+])C2)C1=O ZINC000420381668 192234537 /nfs/dbraw/zinc/23/45/37/192234537.db2.gz RZUHMQIOXJJKTH-VWYCJHECSA-N 1 0 225.336 0.275 10 0 BCAERO NC(=O)[C@@]1(O)CCC[N@H+](Cc2ccsc2)C1 ZINC000309208638 181275628 /nfs/dbraw/zinc/27/56/28/181275628.db2.gz NDDKRNBILZGWFF-LLVKDONJSA-N 1 0 240.328 0.560 10 0 BCAERO CC(C)COCCN1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000420397155 192237165 /nfs/dbraw/zinc/23/71/65/192237165.db2.gz FADGGQZLJAYKRG-NWDGAFQWSA-N 1 0 228.336 0.332 10 0 BCAERO C[C@@]([NH3+])(C(=O)c1cnccc1N)C1CC1 ZINC000168558007 356418210 /nfs/dbraw/zinc/41/82/10/356418210.db2.gz XCKQQEMLVVHZTE-NSHDSACASA-N 1 0 205.261 0.974 10 0 BCAERO Cc1cc(CN(C)CC[N@H+](C)CCO)on1 ZINC000631180309 356424457 /nfs/dbraw/zinc/42/44/57/356424457.db2.gz PWQYWAJVSOOJQA-UHFFFAOYSA-N 1 0 227.308 0.339 10 0 BCAERO [NH3+]C[C@H]1COCCN1Cc1nccs1 ZINC000129729897 356465117 /nfs/dbraw/zinc/46/51/17/356465117.db2.gz LLLMXRWKPPUJAZ-QMMMGPOBSA-N 1 0 213.306 0.303 10 0 BCAERO NC(=O)[C@@]1([NH2+]CC2CC2)CCCSC1 ZINC000061590449 181275812 /nfs/dbraw/zinc/27/58/12/181275812.db2.gz INLLKZWLUMRKFB-SNVBAGLBSA-N 1 0 214.334 0.737 10 0 BCAERO NC(=O)[C@H]([NH3+])c1ccc(O)c(Cl)c1 ZINC000043489134 181276631 /nfs/dbraw/zinc/27/66/31/181276631.db2.gz XVPZXLPTQITHDG-SSDOTTSWSA-N 1 0 200.625 0.531 10 0 BCAERO NC(=O)[C@H](N)CC[N@@H+]1CCCc2ccccc2C1 ZINC000062945214 181276654 /nfs/dbraw/zinc/27/66/54/181276654.db2.gz XJZDAEPPFFPWIY-CYBMUJFWSA-N 1 0 247.342 0.638 10 0 BCAERO NC(=O)[C@H](Cc1ccccc1)N1CCC[NH2+]CC1 ZINC000038000705 181276662 /nfs/dbraw/zinc/27/66/62/181276662.db2.gz TVESSIWEEBJFAK-ZDUSSCGKSA-N 1 0 247.342 0.378 10 0 BCAERO NC(=O)[C@H](COCC1CCOCC1)[NH2+]C1CC1 ZINC000052170497 181276694 /nfs/dbraw/zinc/27/66/94/181276694.db2.gz DEIVHXHHWNTHBM-NSHDSACASA-N 1 0 242.319 0.036 10 0 BCAERO NC(=O)[C@H]([NH3+])CCn1cc(-c2ccccc2)cn1 ZINC000062538762 181276897 /nfs/dbraw/zinc/27/68/97/181276897.db2.gz WJXSDZMRWAPTML-GFCCVEGCSA-N 1 0 244.298 0.753 10 0 BCAERO NC(=O)[C@H]([NH2+]CC1CC1)C1CCOCC1 ZINC000052178918 181278858 /nfs/dbraw/zinc/27/88/58/181278858.db2.gz MGHFRRWAQWRLHX-SNVBAGLBSA-N 1 0 212.293 0.267 10 0 BCAERO NC(=O)[C@H](c1ccccc1F)N1CC[NH2+]CC1 ZINC000037945770 181279543 /nfs/dbraw/zinc/27/95/43/181279543.db2.gz JIBIVQNJYNHYAA-NSHDSACASA-N 1 0 237.278 0.257 10 0 BCAERO CCC[C@@H](C(=O)N[C@@H](CC)CO)[NH+](C)C ZINC000181322963 535318816 /nfs/dbraw/zinc/31/88/16/535318816.db2.gz UFLTXDGCEACHQP-UWVGGRQHSA-N 1 0 216.325 0.604 10 0 BCAERO C[C@H](N)[C@@H](CO)[N@@H+]1CCCCC[C@@H]1C ZINC000224823174 363495766 /nfs/dbraw/zinc/49/57/66/363495766.db2.gz HPEUYGIYTZFQQF-GARJFASQSA-N 1 0 200.326 0.959 10 0 BCAERO C[C@@H]1[C@@H](C)CCC[N@@H+]1CC[C@@H]([NH3+])C(=O)[O-] ZINC000218680258 538466808 /nfs/dbraw/zinc/46/68/08/538466808.db2.gz ZZUVEDJTBZBBFV-IVZWLZJFSA-N 1 0 214.309 0.909 10 0 BCAERO OCC[N@@H+]1CCC[C@@H](Nc2ccccn2)C1 ZINC000384378756 356632995 /nfs/dbraw/zinc/63/29/95/356632995.db2.gz NQGGOVGAQCNUEN-LLVKDONJSA-N 1 0 221.304 0.950 10 0 BCAERO CCC(=O)N1C[C@@H]([NH3+])[C@@H](C(F)(F)F)C1 ZINC000675059360 538484074 /nfs/dbraw/zinc/48/40/74/538484074.db2.gz GSSGYQOTOMCOON-NTSWFWBYSA-N 1 0 210.199 0.744 10 0 BCAERO CCCCNC(=O)N1CCO[C@](CC)(C[NH3+])C1 ZINC000675059466 538484159 /nfs/dbraw/zinc/48/41/59/538484159.db2.gz PSUPIRMAEDOQAO-GFCCVEGCSA-N 1 0 243.351 0.936 10 0 BCAERO CC(C)[C@H](C)C(=O)NC[C@@]1(C)C[NH2+]CCO1 ZINC000675058897 538482024 /nfs/dbraw/zinc/48/20/24/538482024.db2.gz BIKZZMUMAOSMQA-CMPLNLGQSA-N 1 0 228.336 0.773 10 0 BCAERO CCCCNC(=O)NC[C@]1(C)C[NH2+]CCO1 ZINC000675058826 538482340 /nfs/dbraw/zinc/48/23/40/538482340.db2.gz AFWRWDVUTNMKBU-NSHDSACASA-N 1 0 229.324 0.464 10 0 BCAERO CC1(C(=O)N2CCO[C@@](C)(C[NH3+])C2)CC1 ZINC000675059031 538483133 /nfs/dbraw/zinc/48/31/33/538483133.db2.gz HJSLKMKFWQNHHF-NSHDSACASA-N 1 0 212.293 0.363 10 0 BCAERO CCC[C@@]1(C[NH3+])CN(C(=O)C2CC2)CCO1 ZINC000675059317 538483160 /nfs/dbraw/zinc/48/31/60/538483160.db2.gz NZSPFDLIVSEUPY-GFCCVEGCSA-N 1 0 226.320 0.753 10 0 BCAERO CCNC(=O)N1CCO[C@@](CC)(C[NH3+])C1 ZINC000675059101 538483176 /nfs/dbraw/zinc/48/31/76/538483176.db2.gz KIMOFWQTIJYNLF-JTQLQIEISA-N 1 0 215.297 0.156 10 0 BCAERO CC[C@]1(C[NH3+])CN(C(=O)NCC(C)C)CCO1 ZINC000675059006 538483381 /nfs/dbraw/zinc/48/33/81/538483381.db2.gz GNORGCOMRFUQLO-LBPRGKRZSA-N 1 0 243.351 0.792 10 0 BCAERO O=C(CC1CC1)N1CC(OC2CC[NH2+]CC2)C1 ZINC000675055387 538475256 /nfs/dbraw/zinc/47/52/56/538475256.db2.gz SAOXSTBERZFWFJ-UHFFFAOYSA-N 1 0 238.331 0.766 10 0 BCAERO CON(C)C(=O)c1cnc(CC[NH3+])s1 ZINC000675051705 538475391 /nfs/dbraw/zinc/47/53/91/538475391.db2.gz ZMSAJQZMXNGAFG-UHFFFAOYSA-N 1 0 215.278 0.278 10 0 BCAERO COCC(=O)N1CC[C@@]2(C[NH3+])CCC[C@@H]12 ZINC000675055899 538476837 /nfs/dbraw/zinc/47/68/37/538476837.db2.gz CLKJJDGZALMJCJ-MWLCHTKSSA-N 1 0 212.293 0.363 10 0 BCAERO CCC[C@H](C)C(=O)NC[C@]1(C)C[NH2+]CCO1 ZINC000675059270 538484008 /nfs/dbraw/zinc/48/40/08/538484008.db2.gz MMEGTACBVGHBHV-JQWIXIFHSA-N 1 0 228.336 0.917 10 0 BCAERO CC(C)S(=O)(=O)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC000675056049 538477964 /nfs/dbraw/zinc/47/79/64/538477964.db2.gz JFHYBYFLDHBRBG-GHMZBOCLSA-N 1 0 246.376 0.846 10 0 BCAERO CC(C)NC(=O)N1CC[C@@H]2CC[NH2+]C[C@@H]21 ZINC000675056353 538478476 /nfs/dbraw/zinc/47/84/76/538478476.db2.gz JACCZNQLPDEWJA-UWVGGRQHSA-N 1 0 211.309 0.788 10 0 BCAERO CCS(=O)(=O)N1CC[C@@]2(C[NH3+])CCC[C@@H]12 ZINC000675056581 538479009 /nfs/dbraw/zinc/47/90/09/538479009.db2.gz STXZDQZEKIEZBI-NXEZZACHSA-N 1 0 232.349 0.539 10 0 BCAERO CC[C@]1(CNC(=O)CC(C)C)C[NH2+]CCO1 ZINC000675059475 538484444 /nfs/dbraw/zinc/48/44/44/538484444.db2.gz PZYOYUVXVDDBBV-GFCCVEGCSA-N 1 0 228.336 0.917 10 0 BCAERO CCC[C@@]1(CNC(=O)NCC)C[NH2+]CCO1 ZINC000675059898 538484815 /nfs/dbraw/zinc/48/48/15/538484815.db2.gz XKFGNASMTUHYOD-NSHDSACASA-N 1 0 229.324 0.464 10 0 BCAERO CC[C@]1(CNC(=O)C2CCC2)C[NH2+]CCO1 ZINC000675059907 538484963 /nfs/dbraw/zinc/48/49/63/538484963.db2.gz XUPRFRASYLZOBW-GFCCVEGCSA-N 1 0 226.320 0.671 10 0 BCAERO CC(C)[C@@H](C)NC(=O)NC[C@@]1(C)C[NH2+]CCO1 ZINC000675059725 538485056 /nfs/dbraw/zinc/48/50/56/538485056.db2.gz VRNCWERPMSKZQX-ZYHUDNBSSA-N 1 0 243.351 0.709 10 0 BCAERO O=S1(=O)CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000675059622 538485137 /nfs/dbraw/zinc/48/51/37/538485137.db2.gz KMMTZDYTJNTGJS-ZJUUUORDSA-N 1 0 217.334 0.811 10 0 BCAERO CCC[C@@H](C)C(=O)N1CCO[C@@](C)(C[NH3+])C1 ZINC000675059923 538485299 /nfs/dbraw/zinc/48/52/99/538485299.db2.gz YBBUHPCXJXGLGP-PWSUYJOCSA-N 1 0 228.336 0.999 10 0 BCAERO CCC(C)(C)NC(=O)N1CCO[C@](C)(C[NH3+])C1 ZINC000675059730 538485369 /nfs/dbraw/zinc/48/53/69/538485369.db2.gz VTOHMJDRLXRLQI-GFCCVEGCSA-N 1 0 243.351 0.934 10 0 BCAERO CCC[C@]1(CNC(=O)CC)C[NH2+]CCO1 ZINC000675059876 538486268 /nfs/dbraw/zinc/48/62/68/538486268.db2.gz WZAHPYBZBBGQQO-LLVKDONJSA-N 1 0 214.309 0.671 10 0 BCAERO CCCCOC[C@H](O)C[NH2+][C@H]1CCN(CC)C1 ZINC000389423843 356660005 /nfs/dbraw/zinc/66/00/05/356660005.db2.gz WEQDNDKRVCEREX-QWHCGFSZSA-N 1 0 244.379 0.848 10 0 BCAERO CCNC(=O)N[C@@H]1C[C@@H]2C[C@@H](C[NH3+])C[C@@H]12 ZINC000675070740 538500944 /nfs/dbraw/zinc/50/09/44/538500944.db2.gz SHHUXXSQPVXSBQ-UTINFBMNSA-N 1 0 211.309 0.679 10 0 BCAERO CCOC(=O)c1cc2n(n1)CCC[C@@H]2[NH3+] ZINC000675070530 538501566 /nfs/dbraw/zinc/50/15/66/538501566.db2.gz PCKPEXAAPDMITI-ZETCQYMHSA-N 1 0 209.249 0.853 10 0 BCAERO C[C@@H]1CCN(c2cnccn2)C[C@@H]1C[NH3+] ZINC000167688497 134153615 /nfs/dbraw/zinc/15/36/15/134153615.db2.gz UECXYYGDTQETFD-ZJUUUORDSA-N 1 0 206.293 0.898 10 0 BCAERO CC(C)(C)OC(=O)N1CC2(C1)OC[C@H]1C[C@]12[NH3+] ZINC000675073616 538505587 /nfs/dbraw/zinc/50/55/87/538505587.db2.gz MLJYBZTVUXFASY-PELKAZGASA-N 1 0 240.303 0.724 10 0 BCAERO COCCNC(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000675075076 538507743 /nfs/dbraw/zinc/50/77/43/538507743.db2.gz GGEWGRJVUYMNSW-RKDXNWHRSA-N 1 0 215.297 0.059 10 0 BCAERO c1nn2c(c1-c1cnccn1)C[NH2+]CC2 ZINC000675075561 538509733 /nfs/dbraw/zinc/50/97/33/538509733.db2.gz AWAFDVTYVGRQBZ-UHFFFAOYSA-N 1 0 201.233 0.443 10 0 BCAERO CC[C@H](NC[C@@H]1C[NH2+]CC12CC2)C(=O)OC ZINC000675076117 538510280 /nfs/dbraw/zinc/51/02/80/538510280.db2.gz YZAKTRQKEAXSES-UWVGGRQHSA-N 1 0 226.320 0.527 10 0 BCAERO O[C@@H]1C=C(c2cnc3n2CCC3)C[NH2+]C1 ZINC000675077731 538513385 /nfs/dbraw/zinc/51/33/85/538513385.db2.gz QXIXQXOUIAPMCI-SECBINFHSA-N 1 0 205.261 0.177 10 0 BCAERO Cn1nc(CC2=C[C@@H](N)C[NH2+]C2)cc1Cl ZINC000675077685 538513414 /nfs/dbraw/zinc/51/34/14/538513414.db2.gz HFDWQOWFMJECFJ-MRVPVSSYSA-N 1 0 226.711 0.473 10 0 BCAERO Cc1cnc(N)c(C2=C[C@@H](N)C[NH2+]C2)c1 ZINC000675077653 538513881 /nfs/dbraw/zinc/51/38/81/538513881.db2.gz PQRLXATZVSUIFM-SECBINFHSA-N 1 0 204.277 0.286 10 0 BCAERO CCCn1nccc1C1=C[C@H]([NH3+])CNC1 ZINC000675077703 538514302 /nfs/dbraw/zinc/51/43/02/538514302.db2.gz HMEITYRBEUWHKR-JTQLQIEISA-N 1 0 206.293 0.607 10 0 BCAERO COc1cccnc1C1=C[C@@H](O)C[NH2+]C1 ZINC000675077853 538514676 /nfs/dbraw/zinc/51/46/76/538514676.db2.gz SFFQYZZFIKSGCR-SECBINFHSA-N 1 0 206.245 0.438 10 0 BCAERO Cc1ncc(CC2=C[C@H](N)C[NH2+]C2)s1 ZINC000675078144 538514902 /nfs/dbraw/zinc/51/49/02/538514902.db2.gz MXXUCBRPRFPEPP-VIFPVBQESA-N 1 0 209.318 0.851 10 0 BCAERO CCCn1nncc1C1=C[C@H](O)C[NH2+]C1 ZINC000675078390 538514991 /nfs/dbraw/zinc/51/49/91/538514991.db2.gz XUMWBTBNTLBOIV-VIFPVBQESA-N 1 0 208.265 0.036 10 0 BCAERO COc1cc(CC2=C[C@@H](N)C[NH2+]C2)sn1 ZINC000675078250 538516382 /nfs/dbraw/zinc/51/63/82/538516382.db2.gz ODSINFFWTUABPM-MRVPVSSYSA-N 1 0 225.317 0.551 10 0 BCAERO [NH3+]Cc1ccc(C2(C(=O)[O-])CC[NH2+]CC2)cc1 ZINC000675080506 538519527 /nfs/dbraw/zinc/51/95/27/538519527.db2.gz SCUYOSMFYABDLH-UHFFFAOYSA-N 1 0 234.299 0.851 10 0 BCAERO Cc1cnc(N)c(C2=C[C@@H](O)C[NH2+]C2)c1 ZINC000675077315 538512183 /nfs/dbraw/zinc/51/21/83/538512183.db2.gz LDXOHORMXZEKTH-SECBINFHSA-N 1 0 205.261 0.320 10 0 BCAERO Cn1nccc1CCC1=C[C@@H](O)C[NH2+]C1 ZINC000675077142 538512231 /nfs/dbraw/zinc/51/22/31/538512231.db2.gz JQAMERLGDJQZCG-LLVKDONJSA-N 1 0 207.277 0.243 10 0 BCAERO Cc1ncc(CC2=C[C@H](O)C[NH2+]C2)s1 ZINC000675077270 538512873 /nfs/dbraw/zinc/51/28/73/538512873.db2.gz KQARVIXXCHJONU-VIFPVBQESA-N 1 0 210.302 0.885 10 0 BCAERO CC(C)n1nccc1C1=C[C@@H]([NH3+])CNC1 ZINC000675077214 538512895 /nfs/dbraw/zinc/51/28/95/538512895.db2.gz AYGVKXXLRDANJD-SNVBAGLBSA-N 1 0 206.293 0.778 10 0 BCAERO COc1cc(C2=C[C@H](O)C[NH2+]C2)sn1 ZINC000675077590 538513154 /nfs/dbraw/zinc/51/31/54/538513154.db2.gz OQLMYGZSTRXJMZ-ZETCQYMHSA-N 1 0 212.274 0.499 10 0 BCAERO CC(C)CC(=O)N1CCN(C2C[NH2+]C2)CC1 ZINC000085279520 538537399 /nfs/dbraw/zinc/53/73/99/538537399.db2.gz WPRZCNGZBYVISI-UHFFFAOYSA-N 1 0 225.336 0.149 10 0 BCAERO CCOC(=O)/C=C/CN1CC[NH2+]C[C@@H]1C ZINC000087638847 538568601 /nfs/dbraw/zinc/56/86/01/538568601.db2.gz RHKOTPMIYLQNTH-YEZKRMTDSA-N 1 0 212.293 0.399 10 0 BCAERO CCCCS(=O)(=O)NC[C@H]1CC[NH2+]C[C@@H]1C ZINC000129825291 538576536 /nfs/dbraw/zinc/57/65/36/538576536.db2.gz LUPSTYFUBIVTKR-WDEREUQCSA-N 1 0 248.392 0.952 10 0 BCAERO CCS(=O)(=O)NC[C@H]1CC[NH2+]C[C@@H]1C ZINC000129824449 538576869 /nfs/dbraw/zinc/57/68/69/538576869.db2.gz WWWIMULCASATRT-DTWKUNHWSA-N 1 0 220.338 0.171 10 0 BCAERO CC(C)S(=O)(=O)NC[C@H]1CC[NH2+]C[C@H]1C ZINC000129828681 538577307 /nfs/dbraw/zinc/57/73/07/538577307.db2.gz CRTYRPNDXYOBHT-NXEZZACHSA-N 1 0 234.365 0.560 10 0 BCAERO CC(C)S(=O)(=O)NC[C@@H]1CC[NH2+]C[C@@H]1C ZINC000129829343 538579346 /nfs/dbraw/zinc/57/93/46/538579346.db2.gz CRTYRPNDXYOBHT-UWVGGRQHSA-N 1 0 234.365 0.560 10 0 BCAERO CCOC(=O)C(=O)C[C@H]1C[C@@H](C)CC[NH2+]1 ZINC000130311881 538589348 /nfs/dbraw/zinc/58/93/48/538589348.db2.gz LLBFGIQQTDUCMB-DTWKUNHWSA-N 1 0 213.277 0.897 10 0 BCAERO CCC[C@H](C)C(=O)N1CCN(C2C[NH2+]C2)CC1 ZINC000090306985 538592278 /nfs/dbraw/zinc/59/22/78/538592278.db2.gz WHNOWNHVPSNFCT-NSHDSACASA-N 1 0 239.363 0.539 10 0 BCAERO COc1cccc(C[NH2+][C@@H](C(N)=O)C(C)C)n1 ZINC000223765332 538594837 /nfs/dbraw/zinc/59/48/37/538594837.db2.gz QSLDQDNLCFTFHI-LLVKDONJSA-N 1 0 237.303 0.690 10 0 BCAERO CC(=O)N1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000096869502 538617106 /nfs/dbraw/zinc/61/71/06/538617106.db2.gz ADWMZALFYJTDMF-NKWVEPMBSA-N 1 0 210.199 0.744 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)N[C@H](C)CCCO ZINC000087360254 535346643 /nfs/dbraw/zinc/34/66/43/535346643.db2.gz HQPTYABNTLVJIZ-RKDXNWHRSA-N 1 0 202.298 0.391 10 0 BCAERO C[C@]1(CO)C[C@H](O)C[N@@H+]1C[C@H]1CCC[C@@H](O)C1 ZINC000639849808 356850739 /nfs/dbraw/zinc/85/07/39/356850739.db2.gz QXEBGYLDTLRROX-QNWHQSFQSA-N 1 0 243.347 0.355 10 0 BCAERO CCCCOC[C@H](O)C[NH2+][C@@H](C)[C@H](C)CO ZINC000300229491 357035408 /nfs/dbraw/zinc/03/54/08/357035408.db2.gz XTGPEFBWJWYLJY-GRYCIOLGSA-N 1 0 233.352 0.771 10 0 BCAERO FC(F)(F)[C@@]1(c2ncno2)CC[NH2+]C1 ZINC000223753600 357045486 /nfs/dbraw/zinc/04/54/86/357045486.db2.gz SOLPOCLXGJKIQR-LURJTMIESA-N 1 0 207.155 0.863 10 0 BCAERO COC[C@H](C)C[NH2+][C@@H]1CCC(=O)N[C@H]1C ZINC000389942415 357070239 /nfs/dbraw/zinc/07/02/39/357070239.db2.gz PEHJRDSDYBPLJP-KXUCPTDWSA-N 1 0 214.309 0.526 10 0 BCAERO CN(C)C(=O)CCCNC(=O)[C@@]1(C)CCC[NH2+]1 ZINC000390263008 357087907 /nfs/dbraw/zinc/08/79/07/357087907.db2.gz OXBUJRKUHFIWJI-GFCCVEGCSA-N 1 0 241.335 0.113 10 0 BCAERO CN1CCC([N@H+](C)C[C@@H]2C[C@H]2C(=O)[O-])CC1 ZINC000258857479 538800107 /nfs/dbraw/zinc/80/01/07/538800107.db2.gz JPELJQRTCZZRFV-GXSJLCMTSA-N 1 0 226.320 0.733 10 0 BCAERO O=C(c1cccnc1)N1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC000404015303 357216402 /nfs/dbraw/zinc/21/64/02/357216402.db2.gz RFCACNNUTMJIGT-NEPJUHHUSA-N 1 0 247.298 0.285 10 0 BCAERO CC(C)S(=O)(=O)N1C[C@H](C)[C@H]([NH3+])C1 ZINC000300048106 357176667 /nfs/dbraw/zinc/17/66/67/357176667.db2.gz HHVSNUNBTZIQHJ-JGVFFNPUSA-N 1 0 206.311 0.004 10 0 BCAERO C[C@@H](O)CC(C)(C)CNC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000393601463 357288016 /nfs/dbraw/zinc/28/80/16/357288016.db2.gz TZHPFHXSTJHYEV-GMTAPVOTSA-N 1 0 242.363 0.755 10 0 BCAERO NC(=O)c1cc(NCC[C@H]2CC[NH2+]C2)ccn1 ZINC000104363225 181290674 /nfs/dbraw/zinc/29/06/74/181290674.db2.gz ITIMOHCCRSVPCU-SECBINFHSA-N 1 0 234.303 0.592 10 0 BCAERO NC(=O)c1cc(NCC[C@@H]2CCC[NH2+]C2)ccn1 ZINC000110793704 181290747 /nfs/dbraw/zinc/29/07/47/181290747.db2.gz ZMOXXEDHTGKJKS-JTQLQIEISA-N 1 0 248.330 0.982 10 0 BCAERO Cc1nnsc1C[NH2+][C@H]1CCC(=O)N[C@H]1C ZINC000392881339 357260802 /nfs/dbraw/zinc/26/08/02/357260802.db2.gz VFUHRJJKMCQZES-XPUUQOCRSA-N 1 0 240.332 0.603 10 0 BCAERO CCN1CC[C@@H]([NH2+]C[C@H](C)COC)C1 ZINC000393239605 357279528 /nfs/dbraw/zinc/27/95/28/357279528.db2.gz NEQQQFXGFJDVEB-WDEREUQCSA-N 1 0 200.326 0.953 10 0 BCAERO CC(C)n1nnnc1CN(C)[C@H]1CC[NH2+]C1 ZINC000582606868 357349216 /nfs/dbraw/zinc/34/92/16/357349216.db2.gz ZCVNAGBCGLYVTR-VIFPVBQESA-N 1 0 224.312 0.048 10 0 BCAERO COC[C@]1(CNC(=O)C2CC(C)C2)CCC[NH2+]1 ZINC000582899999 357425223 /nfs/dbraw/zinc/42/52/23/357425223.db2.gz XJPKIEKKFLFKIE-GCZXYKMCSA-N 1 0 240.347 0.917 10 0 BCAERO COC[C@@]1(CNC(=O)C2CC(C)C2)CCC[NH2+]1 ZINC000582900000 357425255 /nfs/dbraw/zinc/42/52/55/357425255.db2.gz XJPKIEKKFLFKIE-XIVSLSHWSA-N 1 0 240.347 0.917 10 0 BCAERO NC(=O)c1cc(NC[C@H]2CCC[NH2+]C2)ccn1 ZINC000044503252 181291379 /nfs/dbraw/zinc/29/13/79/181291379.db2.gz CXPODEWLJIOYDL-VIFPVBQESA-N 1 0 234.303 0.592 10 0 BCAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+][C@@H]1COC(C)(C)C1 ZINC000396776851 357483884 /nfs/dbraw/zinc/48/38/84/357483884.db2.gz CEJHGMXWQHHNRI-LPEHRKFASA-N 1 0 226.320 0.811 10 0 BCAERO [NH3+][C@H]1CC[C@H](C(=O)N2CCc3n[nH]cc3C2)C1 ZINC000396848890 357485427 /nfs/dbraw/zinc/48/54/27/357485427.db2.gz JIISBHPBURWKLE-WPRPVWTQSA-N 1 0 234.303 0.422 10 0 BCAERO NC(=O)c1cc(N[C@@H]2C[NH+]3CCC2CC3)ccn1 ZINC000035673409 181291488 /nfs/dbraw/zinc/29/14/88/181291488.db2.gz XUUCPGWBUXZOTF-GFCCVEGCSA-N 1 0 246.314 0.687 10 0 BCAERO CN1CCO[C@@H](C[NH2+]C[C@@H]2CCCOC2)C1 ZINC000085790162 357622380 /nfs/dbraw/zinc/62/23/80/357622380.db2.gz ROTGUQUMNSDAAG-RYUDHWBXSA-N 1 0 228.336 0.333 10 0 BCAERO CN1CCO[C@H](C[NH2+]C[C@@H]2CCCOC2)C1 ZINC000085790159 357622615 /nfs/dbraw/zinc/62/26/15/357622615.db2.gz ROTGUQUMNSDAAG-NWDGAFQWSA-N 1 0 228.336 0.333 10 0 BCAERO Fc1ccc(C[NH2+][C@@H]2CCc3ncnn3C2)cn1 ZINC000189071578 357602800 /nfs/dbraw/zinc/60/28/00/357602800.db2.gz LPMWPMMNFJGHIY-SNVBAGLBSA-N 1 0 247.277 0.917 10 0 BCAERO CC[C@@](C)(O)C[N@@H+]1CCO[C@]2(CCOC2)C1 ZINC000189220955 357610705 /nfs/dbraw/zinc/61/07/05/357610705.db2.gz SGFDJPAJNBBSSK-VXGBXAGGSA-N 1 0 229.320 0.639 10 0 BCAERO COCC(=O)N[C@@H]1CCCC12CC[NH2+]CC2 ZINC000685946678 538886980 /nfs/dbraw/zinc/88/69/80/538886980.db2.gz MHLBIXBUJRLKCQ-SNVBAGLBSA-N 1 0 226.320 0.671 10 0 BCAERO CC(C)S(=O)(=O)N1CC2(C1)CCC[NH2+]C2 ZINC000685946492 538888295 /nfs/dbraw/zinc/88/82/95/538888295.db2.gz BIFQGQVTWPJDAS-UHFFFAOYSA-N 1 0 232.349 0.410 10 0 BCAERO COCCNC(=O)NC[C@@]1(C)CCC[NH2+]1 ZINC000685946852 538888304 /nfs/dbraw/zinc/88/83/04/538888304.db2.gz DBMJYPPPGRYNIV-SNVBAGLBSA-N 1 0 215.297 0.074 10 0 BCAERO CCCS(=O)(=O)NC[C@@]12CC[C@@H]1CC[NH2+]2 ZINC000685947115 538888633 /nfs/dbraw/zinc/88/86/33/538888633.db2.gz RJXOPVGIQNPGMF-ZJUUUORDSA-N 1 0 232.349 0.458 10 0 BCAERO CC(C)CC(=O)N[C@@H]1CC[NH2+]C[C@H]1F ZINC000685946963 538888758 /nfs/dbraw/zinc/88/87/58/538888758.db2.gz XUZLLRZLXNJOSD-RKDXNWHRSA-N 1 0 202.273 0.849 10 0 BCAERO CCS(=O)(=O)N1CCC2(CCC[C@@H]2[NH3+])CC1 ZINC000685947240 538888920 /nfs/dbraw/zinc/88/89/20/538888920.db2.gz KGEBYJXJPWOXOD-JTQLQIEISA-N 1 0 246.376 0.930 10 0 BCAERO CCC(C)(C)[NH2+]CC[C@@H](N)C(=O)OC ZINC000685947999 538889484 /nfs/dbraw/zinc/88/94/84/538889484.db2.gz WPIVBVMYMBJRSF-MRVPVSSYSA-N 1 0 202.298 0.655 10 0 BCAERO O=C(C1CCC1)N1CCCC2(C[NH2+]C2)C1 ZINC000685947838 538889640 /nfs/dbraw/zinc/88/96/40/538889640.db2.gz RPNOTNSPJMEERB-UHFFFAOYSA-N 1 0 208.305 0.999 10 0 BCAERO O=C(CC1CC1)N1CCCC2(C[NH2+]C2)C1 ZINC000685948142 538890631 /nfs/dbraw/zinc/89/06/31/538890631.db2.gz YRICOFPEASGODB-UHFFFAOYSA-N 1 0 208.305 0.999 10 0 BCAERO CCS(=O)(=O)N1CC[C@]2([NH3+])CCCC[C@H]12 ZINC000685948647 538890931 /nfs/dbraw/zinc/89/09/31/538890931.db2.gz DATDHIQRAJGWGO-VHSXEESVSA-N 1 0 232.349 0.682 10 0 BCAERO CC(C)(C)OC(=O)N1CC[C@H]1C[C@H](O)C[NH3+] ZINC000685948920 538891989 /nfs/dbraw/zinc/89/19/89/538891989.db2.gz WZHDLBTXZOICKW-IUCAKERBSA-N 1 0 230.308 0.706 10 0 BCAERO C[NH2+]C[C@@H]1Cn2c(nnc2C(C)C)CN1 ZINC000685948788 538892070 /nfs/dbraw/zinc/89/20/70/538892070.db2.gz CGIRFTDKCABELS-MRVPVSSYSA-N 1 0 209.297 0.093 10 0 BCAERO CC(C)c1nnc2n1C[C@H](C[NH+](C)C)NC2 ZINC000685949466 538892442 /nfs/dbraw/zinc/89/24/42/538892442.db2.gz SHXKVQWOARECIT-VIFPVBQESA-N 1 0 223.324 0.435 10 0 BCAERO CC(C)S(=O)(=O)N[C@]12CC[NH2+][C@H]1CCCC2 ZINC000685949213 538892449 /nfs/dbraw/zinc/89/24/49/538892449.db2.gz MDVZUUXGRYOFLO-WDEREUQCSA-N 1 0 246.376 0.989 10 0 BCAERO CCCC(=O)N1CC2(C1)C[NH2+]CC2(F)F ZINC000685949238 538892548 /nfs/dbraw/zinc/89/25/48/538892548.db2.gz MQIFHVFSISDGKI-UHFFFAOYSA-N 1 0 218.247 0.854 10 0 BCAERO COCCC(=O)N1CC[C@@]2([NH3+])CCCC[C@@H]12 ZINC000685949394 538892605 /nfs/dbraw/zinc/89/26/05/538892605.db2.gz RDLWVFXMGMRQCW-PWSUYJOCSA-N 1 0 226.320 0.895 10 0 BCAERO COCCC(=O)N1CC[C@@]2([NH3+])CCCC[C@H]12 ZINC000685949393 538892614 /nfs/dbraw/zinc/89/26/14/538892614.db2.gz RDLWVFXMGMRQCW-JQWIXIFHSA-N 1 0 226.320 0.895 10 0 BCAERO CC(C)C(=O)N1CC2(C1)C[NH2+]CC2(F)F ZINC000685949177 538892672 /nfs/dbraw/zinc/89/26/72/538892672.db2.gz LFWFNDQKYSLIQI-UHFFFAOYSA-N 1 0 218.247 0.710 10 0 BCAERO CC(C)NC(=O)N1CC2(C[NH2+]C2)C(F)(F)C1 ZINC000685949849 538892845 /nfs/dbraw/zinc/89/28/45/538892845.db2.gz YPVCONIUFHQMOG-UHFFFAOYSA-N 1 0 233.262 0.645 10 0 BCAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)C(C)(C)O ZINC000232634425 357669554 /nfs/dbraw/zinc/66/95/54/357669554.db2.gz DBJRWJSRFUAANH-SNVBAGLBSA-N 1 0 230.352 0.850 10 0 BCAERO Nc1ncccc1C[NH2+]C[C@H]1CCC(=O)N1 ZINC000685950391 538893801 /nfs/dbraw/zinc/89/38/01/538893801.db2.gz OKLAGNWOYMZEJF-SECBINFHSA-N 1 0 220.276 0.032 10 0 BCAERO C[C@@H]1C[NH2+]C[C@@H](C)C1[NH+]1CC(C(=O)[O-])C1 ZINC000685951000 538894245 /nfs/dbraw/zinc/89/42/45/538894245.db2.gz LHQDCMPNDGCEQS-HTQZYQBOSA-N 1 0 212.293 0.247 10 0 BCAERO C=Cn1cc(C[NH2+][C@@H]2CCCNC2=O)cn1 ZINC000232572274 357672037 /nfs/dbraw/zinc/67/20/37/357672037.db2.gz ZUVWPCJREQSHMS-SNVBAGLBSA-N 1 0 220.276 0.352 10 0 BCAERO C[C@@H]1CN([C@H]2[C@H](C)C[NH2+]C[C@@H]2C)CCO1 ZINC000685951181 538894504 /nfs/dbraw/zinc/89/45/04/538894504.db2.gz OXWBRGWVLZQSIS-KXNHARMFSA-N 1 0 212.337 0.951 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H](C)[C@H]1[NH+]1CC(C(=O)[O-])C1 ZINC000685951001 538894518 /nfs/dbraw/zinc/89/45/18/538894518.db2.gz LHQDCMPNDGCEQS-MBTKJCJQSA-N 1 0 212.293 0.247 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H](C)[C@H]1N1CCOC[C@H]1C ZINC000685951431 538895354 /nfs/dbraw/zinc/89/53/54/538895354.db2.gz UHFROZQLOFAVNB-KXNHARMFSA-N 1 0 212.337 0.951 10 0 BCAERO C[C@@H]1C[NH2+]C[C@@H](C)C1N1CCOC[C@H]1C ZINC000685951430 538895570 /nfs/dbraw/zinc/89/55/70/538895570.db2.gz UHFROZQLOFAVNB-GMTAPVOTSA-N 1 0 212.337 0.951 10 0 BCAERO CO[C@H](C)[C@H](C)NC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000190704955 357725960 /nfs/dbraw/zinc/72/59/60/357725960.db2.gz HUKIUHJMNHSLCQ-AXFHLTTASA-N 1 0 243.351 0.755 10 0 BCAERO CCC(=O)CCN1CCO[C@H](C[NH+](C)C)C1 ZINC000190222388 357695556 /nfs/dbraw/zinc/69/55/56/357695556.db2.gz HWCNRVBNBCODSO-GFCCVEGCSA-N 1 0 228.336 0.618 10 0 BCAERO C[C@H]1OCCC[C@H]1C(=O)NCCC[NH+](C)C ZINC000190329361 357700745 /nfs/dbraw/zinc/70/07/45/357700745.db2.gz KPBWIDBFDVYNOA-GHMZBOCLSA-N 1 0 228.336 0.869 10 0 BCAERO C[NH2+]C[C@@H](C)C(=O)N1CCn2ccnc2C1 ZINC000086068937 357815836 /nfs/dbraw/zinc/81/58/36/357815836.db2.gz VUUXOZMPOLSKIL-SECBINFHSA-N 1 0 222.292 0.081 10 0 BCAERO COC(=O)C(C)(C)NC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000085010850 134221135 /nfs/dbraw/zinc/22/11/35/134221135.db2.gz RQGORKUTCIBEPI-HTQZYQBOSA-N 1 0 228.292 0.182 10 0 BCAERO COCCCN(C)C(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000085012950 134221172 /nfs/dbraw/zinc/22/11/72/134221172.db2.gz PFKUMEFGRZXXPJ-NXEZZACHSA-N 1 0 214.309 0.609 10 0 BCAERO CCOCCNC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000085010742 134221179 /nfs/dbraw/zinc/22/11/79/134221179.db2.gz GLGQPKOQTKRHBK-BDAKNGLRSA-N 1 0 200.282 0.267 10 0 BCAERO COC[C@@H](C)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000192526374 357843764 /nfs/dbraw/zinc/84/37/64/357843764.db2.gz OLCOXHFEQLTMDX-MXWKQRLJSA-N 1 0 226.320 0.289 10 0 BCAERO COc1cc(N2CC[C@@H]([C@@H](C)[NH3+])C2)ncn1 ZINC000168573876 134227072 /nfs/dbraw/zinc/22/70/72/134227072.db2.gz SQBRECFSDOUAJG-RKDXNWHRSA-N 1 0 222.292 0.659 10 0 BCAERO CNC(=O)CCC[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000398650111 357889142 /nfs/dbraw/zinc/88/91/42/357889142.db2.gz AWPFHBZOIMYTEL-QJPTWQEYSA-N 1 0 240.347 0.605 10 0 BCAERO C[C@H]1CN(C(=O)Cc2cccnc2)C[C@@H]1[NH3+] ZINC000235627376 357925609 /nfs/dbraw/zinc/92/56/09/357925609.db2.gz IISANYJUYADFBN-ONGXEEELSA-N 1 0 219.288 0.430 10 0 BCAERO Cc1cnc(NC[C@H]2C[NH2+]CCO2)nc1C ZINC000386477889 357929907 /nfs/dbraw/zinc/92/99/07/357929907.db2.gz PYJWYBWDODTGHD-SNVBAGLBSA-N 1 0 222.292 0.494 10 0 BCAERO CCc1nnc(CN2CC[C@@H]3[NH2+]CC[C@@H]3C2)n1C ZINC000583753550 357934981 /nfs/dbraw/zinc/93/49/81/357934981.db2.gz RSLABSZYGUTQGA-MNOVXSKESA-N 1 0 249.362 0.561 10 0 BCAERO CCOC[C@H]1CCN(C(=O)[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000583810609 357955733 /nfs/dbraw/zinc/95/57/33/357955733.db2.gz YCSNVCBINZNWDN-GRYCIOLGSA-N 1 0 240.347 0.727 10 0 BCAERO CO[C@@H](C)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000168654411 134239011 /nfs/dbraw/zinc/23/90/11/134239011.db2.gz FKJLVFXZOHZTQV-VHSXEESVSA-N 1 0 212.293 0.328 10 0 BCAERO C[C@@]1(C(=O)Cc2ccoc2)COC[C@@H]1[NH3+] ZINC000168947049 357999379 /nfs/dbraw/zinc/99/93/79/357999379.db2.gz XAJIPBCAKZFSIN-GXSJLCMTSA-N 1 0 209.245 0.755 10 0 BCAERO COC(=O)[C@H](C)N1CC[C@@H]([NH3+])C[C@H]1C ZINC000168968132 358001759 /nfs/dbraw/zinc/00/17/59/358001759.db2.gz FMPVVBXVEZRJIF-HRDYMLBCSA-N 1 0 200.282 0.360 10 0 BCAERO COC[C@H]([NH3+])C(=O)N1C[C@H](C)S[C@@H](C)C1 ZINC000220180875 358018824 /nfs/dbraw/zinc/01/88/24/358018824.db2.gz UUFIGJIOJAUHKO-CIUDSAMLSA-N 1 0 232.349 0.313 10 0 BCAERO CCOC(=O)CN(CC)C[C@@H]1CCC[NH2+]C1 ZINC000220367009 358038386 /nfs/dbraw/zinc/03/83/86/358038386.db2.gz IGBGTVKHTOTBAN-LLVKDONJSA-N 1 0 228.336 0.871 10 0 BCAERO CCNC(=O)CN(CC)[C@H]1CCC[NH2+]CC1 ZINC000168806549 134247066 /nfs/dbraw/zinc/24/70/66/134247066.db2.gz KDQSLAQMJJTMRW-NSHDSACASA-N 1 0 227.352 0.587 10 0 BCAERO COC[C@H](C)C[NH2+]C[C@@H]1CN(C)CCO1 ZINC000086005425 358050115 /nfs/dbraw/zinc/05/01/15/358050115.db2.gz YFKGDTMUPUQNBD-GHMZBOCLSA-N 1 0 216.325 0.189 10 0 BCAERO COC[C@@H](C)C[NH2+]C[C@@H]1CN(C)CCO1 ZINC000086005424 358050273 /nfs/dbraw/zinc/05/02/73/358050273.db2.gz YFKGDTMUPUQNBD-WDEREUQCSA-N 1 0 216.325 0.189 10 0 BCAERO Cc1nccn1CCC[NH2+]CC(C)(C)O ZINC000584585488 358099504 /nfs/dbraw/zinc/09/95/04/358099504.db2.gz HHNSJIJQHBWQMU-UHFFFAOYSA-N 1 0 211.309 0.942 10 0 BCAERO CCN(Cc1ccncc1)C(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000037822718 358095081 /nfs/dbraw/zinc/09/50/81/358095081.db2.gz YEGKSCOLENBQBX-VXGBXAGGSA-N 1 0 249.314 0.153 10 0 BCAERO OC[C@@H]1C[N@@H+]([C@H]2CCOC2)C[C@H]1C(F)(F)F ZINC000640043484 358139825 /nfs/dbraw/zinc/13/98/25/358139825.db2.gz GHEFZDWTZYIQJJ-XHNCKOQMSA-N 1 0 239.237 0.878 10 0 BCAERO OCCC[N@@H+]1CCC[C@@H](n2cncn2)C1 ZINC000171635145 134257169 /nfs/dbraw/zinc/25/71/69/134257169.db2.gz JLQYIVWPXJXWSG-SNVBAGLBSA-N 1 0 210.281 0.297 10 0 BCAERO c1cc(CN2CC[C@@H]3OCC[NH2+][C@@H]3C2)no1 ZINC000584843576 358200318 /nfs/dbraw/zinc/20/03/18/358200318.db2.gz MYESYNNBQHOUPQ-MNOVXSKESA-N 1 0 223.276 0.237 10 0 BCAERO CCN(CC)C(=O)[C@H]1C[C@@H](OC)C[NH2+]1 ZINC000040629368 358244557 /nfs/dbraw/zinc/24/45/57/358244557.db2.gz KHHOFVHVRRHZND-RKDXNWHRSA-N 1 0 200.282 0.232 10 0 BCAERO O=C(Cc1ccc(Cl)cc1)NC1C[NH2+]C1 ZINC000085255906 134264972 /nfs/dbraw/zinc/26/49/72/134264972.db2.gz QPYSNMYKYQKRJP-UHFFFAOYSA-N 1 0 224.691 0.971 10 0 BCAERO COC[C@H](C)CNC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634747740 491126413 /nfs/dbraw/zinc/12/64/13/491126413.db2.gz XJZOGKMVOIULFT-MDZLAQPJSA-N 1 0 240.347 0.775 10 0 BCAERO COc1cccc(C(=O)N(C)C2C[NH2+]C2)c1 ZINC000085257520 134267227 /nfs/dbraw/zinc/26/72/27/134267227.db2.gz WSGQLULUUQOCNR-UHFFFAOYSA-N 1 0 220.272 0.739 10 0 BCAERO CC[C@@H]([NH3+])C(=O)NCCn1cc(C)cn1 ZINC000225522325 358249608 /nfs/dbraw/zinc/24/96/08/358249608.db2.gz CXHZVOTYROXIAX-SECBINFHSA-N 1 0 210.281 0.045 10 0 BCAERO C[C@@H](c1ncc(C(N)=O)c2[nH]ccc21)C1C[NH2+]C1 ZINC000584620185 358286908 /nfs/dbraw/zinc/28/69/08/358286908.db2.gz SCEMBLZNBIQSOD-SSDOTTSWSA-N 1 0 244.298 0.985 10 0 BCAERO Fc1cnc(-c2cnn3c2C[NH2+]CC3)nc1 ZINC000584648477 358303618 /nfs/dbraw/zinc/30/36/18/358303618.db2.gz KLGUPMCXCXTCIW-UHFFFAOYSA-N 1 0 219.223 0.582 10 0 BCAERO CN(C(=O)c1ccc(Cl)o1)C1C[NH2+]C1 ZINC000085257511 134267481 /nfs/dbraw/zinc/26/74/81/134267481.db2.gz QQHDQIQJVPWSBB-UHFFFAOYSA-N 1 0 214.652 0.977 10 0 BCAERO COc1ccc(CCN(O)C(N)=[NH2+])cc1 ZINC000584660772 358311969 /nfs/dbraw/zinc/31/19/69/358311969.db2.gz MWJPPBOECQBADV-UHFFFAOYSA-N 1 0 209.249 0.822 10 0 BCAERO COc1no[nH]c1=N[N+](=O)C(C)(C)OC ZINC000584636165 358320667 /nfs/dbraw/zinc/32/06/67/358320667.db2.gz JRSXKJOTUDXXHL-UHFFFAOYSA-N 1 0 217.205 0.567 10 0 BCAERO CN(C(=O)c1ccc(F)cc1)C1C[NH2+]C1 ZINC000085257667 134269494 /nfs/dbraw/zinc/26/94/94/134269494.db2.gz YGAJCOHSCWQUBE-UHFFFAOYSA-N 1 0 208.236 0.870 10 0 BCAERO CCCNC(=O)CN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000172802628 134270072 /nfs/dbraw/zinc/27/00/72/134270072.db2.gz BKPMXZVGYFZQCR-GFCCVEGCSA-N 1 0 239.363 0.683 10 0 BCAERO CO[C@]1(C[NH2+][C@@H]2CCCC[C@H]2O)CCOC1 ZINC000226236707 358336589 /nfs/dbraw/zinc/33/65/89/358336589.db2.gz RCIVYYRLAVAMMU-UTUOFQBUSA-N 1 0 229.320 0.685 10 0 BCAERO CC[C@](C)(O)C[NH2+][C@H]1C[C@@H](O)C1(C)C ZINC000226602869 358341591 /nfs/dbraw/zinc/34/15/91/358341591.db2.gz TXBVFZJBNPLHIS-NGZCFLSTSA-N 1 0 201.310 0.896 10 0 BCAERO Cc1cnn(CCNC(=O)[C@]2(C)CCC[NH2+]2)c1 ZINC000226675759 358342761 /nfs/dbraw/zinc/34/27/61/358342761.db2.gz FNDDJTCJNCOVNL-LBPRGKRZSA-N 1 0 236.319 0.450 10 0 BCAERO C[C@H](NC(=O)[C@H]1CCC[C@@H]([NH3+])C1)C(=O)N(C)C ZINC000226741835 358343564 /nfs/dbraw/zinc/34/35/64/358343564.db2.gz TZXAZWNYNALGDR-LPEHRKFASA-N 1 0 241.335 0.097 10 0 BCAERO C[C@@H](NC(=O)[C@H]1CCC[C@@H]([NH3+])C1)C(=O)N(C)C ZINC000226741828 358343605 /nfs/dbraw/zinc/34/36/05/358343605.db2.gz TZXAZWNYNALGDR-KXUCPTDWSA-N 1 0 241.335 0.097 10 0 BCAERO CN1CCN(c2ncc(Cl)cn2)[C@@H](C[NH3+])C1 ZINC000227178447 358350761 /nfs/dbraw/zinc/35/07/61/358350761.db2.gz NMTMEMYOUITKKV-VIFPVBQESA-N 1 0 241.726 0.209 10 0 BCAERO O=C(C[C@H]1CCC[NH2+]C1)N[C@H]1CCCC[C@@H]1O ZINC000227246937 358352507 /nfs/dbraw/zinc/35/25/07/358352507.db2.gz VMYWRNCQQJCKAK-WOPDTQHZSA-N 1 0 240.347 0.796 10 0 BCAERO C[C@H]([NH2+][C@@H]1CCCC[C@H]1O)C(=O)N(C)C ZINC000226227371 358335345 /nfs/dbraw/zinc/33/53/45/358335345.db2.gz XHTSEVQZCBOPFN-IVZWLZJFSA-N 1 0 214.309 0.356 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@@H]1CCSC1 ZINC000227428863 358356907 /nfs/dbraw/zinc/35/69/07/358356907.db2.gz FKMOELDPYHHCLY-IWSPIJDZSA-N 1 0 214.334 0.464 10 0 BCAERO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1C(=O)N1CCC[C@H]1C[NH3+] ZINC000252685857 366428331 /nfs/dbraw/zinc/42/83/31/366428331.db2.gz WEARYNLDVSXQAB-CSYMLDBXSA-N 1 0 240.347 0.996 10 0 BCAERO CCCCOC[C@H](O)C[NH2+][C@@H](C)C[C@@H](C)O ZINC000227895728 358366068 /nfs/dbraw/zinc/36/60/68/358366068.db2.gz AADGCJVFOKWRAN-QJPTWQEYSA-N 1 0 233.352 0.913 10 0 BCAERO COc1cc(-c2noc([C@H]3CC[NH2+]C3)n2)ncn1 ZINC000230142745 358394679 /nfs/dbraw/zinc/39/46/79/358394679.db2.gz LWGJEAUGPVNWBF-ZETCQYMHSA-N 1 0 247.258 0.612 10 0 BCAERO CCCCOCCCNC(=O)[C@@H](C)[NH2+]C ZINC000229345714 358402871 /nfs/dbraw/zinc/40/28/71/358402871.db2.gz PMQBELULCVUIEY-SNVBAGLBSA-N 1 0 216.325 0.917 10 0 BCAERO O[C@@H]1CCCC[C@H]1[NH2+]CCN1CCSCC1 ZINC000230938628 358412954 /nfs/dbraw/zinc/41/29/54/358412954.db2.gz LBDKLLRVNFCCRM-VXGBXAGGSA-N 1 0 244.404 0.928 10 0 BCAERO CC(C)[C@@H](CCO)NC(=O)C[C@H]1CCC[NH2+]C1 ZINC000231080805 358414277 /nfs/dbraw/zinc/41/42/77/358414277.db2.gz TTWGGJJABUYCBB-VXGBXAGGSA-N 1 0 242.363 0.899 10 0 BCAERO CN(Cc1ccn(C)n1)[C@@H]1CCC[NH2+]CC1 ZINC000231457890 358419701 /nfs/dbraw/zinc/41/97/01/358419701.db2.gz HOQBRHVLEPQUAP-GFCCVEGCSA-N 1 0 222.336 0.994 10 0 BCAERO CN(Cc1ccn(C)n1)[C@H]1CCC[NH2+]CC1 ZINC000231457928 358419712 /nfs/dbraw/zinc/41/97/12/358419712.db2.gz HOQBRHVLEPQUAP-LBPRGKRZSA-N 1 0 222.336 0.994 10 0 BCAERO CC1(C)CC[N@@H+]([C@@H](C[NH3+])C(=O)[O-])CCS1 ZINC000231040674 358541246 /nfs/dbraw/zinc/54/12/46/358541246.db2.gz QBWFFYUKJBNTSX-QMMMGPOBSA-N 1 0 232.349 0.616 10 0 BCAERO O[C@@H]1COCC[C@@H]1[NH2+][C@H]1CO[C@@H](C2CC2)C1 ZINC000628467884 358580174 /nfs/dbraw/zinc/58/01/74/358580174.db2.gz FNHFBMTWNWOCCN-WRWGMCAJSA-N 1 0 227.304 0.293 10 0 BCAERO CCN1CC[NH+](C[C@@H]2CCCC2=O)CC1 ZINC000053924856 358580954 /nfs/dbraw/zinc/58/09/54/358580954.db2.gz NZROUHGWPUEFRW-NSHDSACASA-N 1 0 210.321 0.993 10 0 BCAERO NC(=S)[C@@H]1CCC[N@@H+]1[C@H]1CCCOC1 ZINC000300232159 358590128 /nfs/dbraw/zinc/59/01/28/358590128.db2.gz KBMKEWRHWCNADU-IUCAKERBSA-N 1 0 214.334 0.916 10 0 BCAERO CCO[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000193626720 535431969 /nfs/dbraw/zinc/43/19/69/535431969.db2.gz FCEPUFMWDQVQRD-LMLFDSFASA-N 1 0 226.320 0.668 10 0 BCAERO Cc1c([C@H](C)[NH3+])cnn1-c1ncccn1 ZINC000035728340 358746186 /nfs/dbraw/zinc/74/61/86/358746186.db2.gz UKNNAVPYEQKKCY-ZETCQYMHSA-N 1 0 203.249 0.990 10 0 BCAERO NC(=O)c1ccc(C[NH2+][C@@H]2CCCNC2=O)cc1 ZINC000050395360 358726401 /nfs/dbraw/zinc/72/64/01/358726401.db2.gz DQRMGCFPQQPGSO-LLVKDONJSA-N 1 0 247.298 0.154 10 0 BCAERO C[C@@H]1OCC[C@H]1NC(=O)c1ccc(C[NH3+])o1 ZINC000134256462 358784706 /nfs/dbraw/zinc/78/47/06/358784706.db2.gz MIACUNAQZPMWJR-IONNQARKSA-N 1 0 224.260 0.646 10 0 BCAERO C[C@H]1OCC[C@@H]1NC(=O)c1ccc(C[NH3+])o1 ZINC000134256482 358785004 /nfs/dbraw/zinc/78/50/04/358785004.db2.gz MIACUNAQZPMWJR-APPZFPTMSA-N 1 0 224.260 0.646 10 0 BCAERO C[C@H](O)CC[NH2+][C@H]1CCC(=O)N[C@@H]1C ZINC000393025210 259481089 /nfs/dbraw/zinc/48/10/89/259481089.db2.gz HZYXYCFZVCIPBK-YIZRAAEISA-N 1 0 200.282 0.014 10 0 BCAERO CCCNC(=O)C[N@@H+]1CCC[C@@H]1CCCO ZINC000052762145 358792186 /nfs/dbraw/zinc/79/21/86/358792186.db2.gz RNXSPVVQLAOUQL-LLVKDONJSA-N 1 0 228.336 0.750 10 0 BCAERO O=C(C[N@H+]1CCC[C@@H]1CCCO)N1CCC1 ZINC000052763079 358793721 /nfs/dbraw/zinc/79/37/21/358793721.db2.gz CMGWVHNLYUXICN-LLVKDONJSA-N 1 0 226.320 0.456 10 0 BCAERO Cc1ccncc1C[NH2+][C@H]1CCCNC1=O ZINC000135458320 358839564 /nfs/dbraw/zinc/83/95/64/358839564.db2.gz HJTFGBQNUUBBFI-NSHDSACASA-N 1 0 219.288 0.758 10 0 BCAERO CN[C@]1(C(F)F)CCS(=O)(=O)[C@@H]1C ZINC000306150349 358871374 /nfs/dbraw/zinc/87/13/74/358871374.db2.gz FUCKSWCXQXKCIF-IYSWYEEDSA-N 1 0 213.249 0.417 10 0 BCAERO C[NH2+][C@H](C)C(=O)N[C@]1(C)CCO[C@H]1C ZINC000300363477 358977413 /nfs/dbraw/zinc/97/74/13/358977413.db2.gz DOQRVFYEFWNJJE-KHQFGBGNSA-N 1 0 200.282 0.278 10 0 BCAERO [NH3+]CCN1CCC(C2OCCO2)CC1 ZINC000306158809 358952470 /nfs/dbraw/zinc/95/24/70/358952470.db2.gz AKFUBBHPSILYLF-UHFFFAOYSA-N 1 0 200.282 0.030 10 0 BCAERO CS[C@@H]1CCC[C@H]1N1C[C@H]([NH3+])C1=O ZINC000300381773 358980335 /nfs/dbraw/zinc/98/03/35/358980335.db2.gz FSSLDELZSVOXIN-XLPZGREQSA-N 1 0 200.307 0.440 10 0 BCAERO C[C@@H]1C[C@H]1[C@@H]1C[S@](=O)C[C@H](C)C[NH2+]1 ZINC000306172048 358981012 /nfs/dbraw/zinc/98/10/12/358981012.db2.gz IHHKTGDAVLSIQR-RBMYMFIASA-N 1 0 201.335 0.999 10 0 BCAERO [NH3+]C[C@@H](O)Cc1ccc(Br)cn1 ZINC000160876765 358982449 /nfs/dbraw/zinc/98/24/49/358982449.db2.gz ALUHTRZITYKEKH-QMMMGPOBSA-N 1 0 231.093 0.706 10 0 BCAERO O[C@@H]1CCC2(C[C@H]1[C@@H]1CCC[NH2+]1)OCCO2 ZINC000224262646 358984223 /nfs/dbraw/zinc/98/42/23/358984223.db2.gz KNZCSKGZOPLKRO-GARJFASQSA-N 1 0 227.304 0.643 10 0 BCAERO CCOCC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000070266286 359048582 /nfs/dbraw/zinc/04/85/82/359048582.db2.gz MNVYBKGOSXZOTB-NSHDSACASA-N 1 0 226.320 0.720 10 0 BCAERO CN(C)C(=O)[C@H]1CCC[N@@H+]1C[C@@H]1CCCO1 ZINC000073106032 359095882 /nfs/dbraw/zinc/09/58/82/359095882.db2.gz VKOBEIZAVMHBKD-WDEREUQCSA-N 1 0 226.320 0.718 10 0 BCAERO COCCNC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000246455661 359097608 /nfs/dbraw/zinc/09/76/08/359097608.db2.gz YKOJFZCYGVZLKL-WDEREUQCSA-N 1 0 243.351 0.661 10 0 BCAERO CCOCCN1CC[N@H+](CCCO)C[C@H]1C ZINC000247010460 359182479 /nfs/dbraw/zinc/18/24/79/359182479.db2.gz CCXSDBIGGDUAJW-GFCCVEGCSA-N 1 0 230.352 0.411 10 0 BCAERO C[C@H](O)C[N@@H+]1CCN(Cc2ccncc2)C[C@@H]1C ZINC000247126167 359195098 /nfs/dbraw/zinc/19/50/98/359195098.db2.gz ZBKXNBHENQSMAJ-STQMWFEESA-N 1 0 249.358 0.969 10 0 BCAERO CC[C@H](O)C[N@@H+]1CCN(C[C@H](C)O)[C@H](CC)C1 ZINC000247869143 359247361 /nfs/dbraw/zinc/24/73/61/359247361.db2.gz XGMPKOFYPOGKNV-XQQFMLRXSA-N 1 0 244.379 0.534 10 0 BCAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1CC(=O)NC1CC1 ZINC000247255518 359206527 /nfs/dbraw/zinc/20/65/27/359206527.db2.gz NSRXIBFGYWEPPK-PWSUYJOCSA-N 1 0 237.347 0.434 10 0 BCAERO C[C@@H]1CC[N@H+](C[C@@H](O)CN2CCCC2=O)[C@@H]1C ZINC000247346056 359213171 /nfs/dbraw/zinc/21/31/71/359213171.db2.gz OKUOSDRNDYLZBZ-IJLUTSLNSA-N 1 0 240.347 0.700 10 0 BCAERO CC(C)NC(=O)CCN1CC[N@@H+]2CCC[C@H]2C1 ZINC000247377794 359216646 /nfs/dbraw/zinc/21/66/46/359216646.db2.gz VMWAHLMJSCFEEM-LBPRGKRZSA-N 1 0 239.363 0.681 10 0 BCAERO CC(C)OCCN1CC[N@@H+](C[C@H](C)O)[C@H](C)C1 ZINC000247390863 359217857 /nfs/dbraw/zinc/21/78/57/359217857.db2.gz XCMKHYHOPYUBBE-OLZOCXBDSA-N 1 0 244.379 0.798 10 0 BCAERO CCCNC(=O)[C@H](C)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000247441586 359221081 /nfs/dbraw/zinc/22/10/81/359221081.db2.gz ZZHLYOSPRKNORH-RYUDHWBXSA-N 1 0 239.363 0.681 10 0 BCAERO CC(C)COCCN1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC000404225189 359309414 /nfs/dbraw/zinc/30/94/14/359309414.db2.gz NEHKTQVFCHSXLK-OLZOCXBDSA-N 1 0 242.363 0.722 10 0 BCAERO C[C@@H]1[C@H](C)SCCN1C(=O)[C@@H]1CC[NH2+]C1 ZINC000158358943 359282778 /nfs/dbraw/zinc/28/27/78/359282778.db2.gz CRIUFEIQKIUIED-KXUCPTDWSA-N 1 0 228.361 0.948 10 0 BCAERO [NH3+]C[C@H]1CN(C(=O)C(F)(F)F)CCCO1 ZINC000306228391 359362506 /nfs/dbraw/zinc/36/25/06/359362506.db2.gz FJQCWDNDZVRDCB-LURJTMIESA-N 1 0 226.198 0.125 10 0 BCAERO CN(C(=O)[C@H]1CC1(Cl)Cl)C1C[NH2+]C1 ZINC000306215528 359324014 /nfs/dbraw/zinc/32/40/14/359324014.db2.gz IEIWGHQRBOVDHM-ZCFIWIBFSA-N 1 0 223.103 0.610 10 0 BCAERO Cc1ncccc1C[NH2+][C@H]1CCOC[C@H]1O ZINC000623764227 359342072 /nfs/dbraw/zinc/34/20/72/359342072.db2.gz AMQBABXVLJUEFN-NWDGAFQWSA-N 1 0 222.288 0.629 10 0 BCAERO c1ccc(CN2CC[C@H](NC3=[NH+]CCN3)C2)cc1 ZINC000306223894 359347831 /nfs/dbraw/zinc/34/78/31/359347831.db2.gz CHHYAKSHAOPLMR-ZDUSSCGKSA-N 1 0 244.342 0.810 10 0 BCAERO COCCC[N@@H+]1CC[C@@H]2OCCN[C@@H]2C1 ZINC000404235334 359349331 /nfs/dbraw/zinc/34/93/31/359349331.db2.gz TUZDXJKGYJSCKS-MNOVXSKESA-N 1 0 214.309 0.086 10 0 BCAERO C[NH2+][C@@]1(C(=O)NC(C)(C)C)CCOC1 ZINC000306224524 359349503 /nfs/dbraw/zinc/34/95/03/359349503.db2.gz DQBRMAOWSUBMGD-JTQLQIEISA-N 1 0 200.282 0.280 10 0 BCAERO NC(=[NH2+])CCN1CC(F)(F)C(F)(F)C1 ZINC000306248699 359445953 /nfs/dbraw/zinc/44/59/53/359445953.db2.gz XSPAZSFHGSWEDO-UHFFFAOYSA-N 1 0 213.178 0.899 10 0 BCAERO C[NH2+][C@]1(CO)CCO[C@H](C(F)(F)F)C1 ZINC000306252391 359460502 /nfs/dbraw/zinc/46/05/02/359460502.db2.gz VGWBYXZTDLOTMP-NKWVEPMBSA-N 1 0 213.199 0.678 10 0 BCAERO CC[NH+]1CCC(OC)(C(N)=S)CC1 ZINC000306252013 359465461 /nfs/dbraw/zinc/46/54/61/359465461.db2.gz LZBGKGRENKJGCQ-UHFFFAOYSA-N 1 0 202.323 0.773 10 0 BCAERO Cc1ncc([C@@H]2OC[C@H](C[NH3+])O2)s1 ZINC000306258645 359475041 /nfs/dbraw/zinc/47/50/41/359475041.db2.gz SGLHPONLOUZARI-POYBYMJQSA-N 1 0 200.263 0.824 10 0 BCAERO [NH2+]=C(NCc1ccccc1)N[C@H]1COC[C@H]1O ZINC000306270861 359503026 /nfs/dbraw/zinc/50/30/26/359503026.db2.gz QFDORQDYDAJTPQ-WDEREUQCSA-N 1 0 235.287 0.060 10 0 BCAERO CC(C)[C@H]1CN(C(=O)[C@@H]2C[NH2+]C[C@H]2C)CCO1 ZINC000423782109 192834962 /nfs/dbraw/zinc/83/49/62/192834962.db2.gz YYNHMNYLRVGPAQ-IJLUTSLNSA-N 1 0 240.347 0.725 10 0 BCAERO C[NH2+][C@H](C)C(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000086932362 359592250 /nfs/dbraw/zinc/59/22/50/359592250.db2.gz ZZJUGIAPPRAIBZ-HBNTYKKESA-N 1 0 225.336 0.289 10 0 BCAERO C[C@@H](O[C@H]1CC[NH2+]CC1(C)C)C(N)=O ZINC000306317051 359597601 /nfs/dbraw/zinc/59/76/01/359597601.db2.gz SKPMOSNCTOUYBG-SFYZADRCSA-N 1 0 200.282 0.265 10 0 BCAERO O[C@@H]1COCC[C@@H]1[NH2+]Cc1cccnc1 ZINC000623764636 359624863 /nfs/dbraw/zinc/62/48/63/359624863.db2.gz IALJQWTXKHWOGG-WDEREUQCSA-N 1 0 208.261 0.321 10 0 BCAERO COc1cc(C2(O)CC([NH3+])C2)sn1 ZINC000306379881 359716857 /nfs/dbraw/zinc/71/68/57/359716857.db2.gz JBZIEUDKWBGIRJ-UHFFFAOYSA-N 1 0 200.263 0.460 10 0 BCAERO CC[C@H]1CSC2(COCCOC2)[NH2+]1 ZINC000306390658 359754221 /nfs/dbraw/zinc/75/42/21/359754221.db2.gz WPAIAVKKQBYWIG-QMMMGPOBSA-N 1 0 203.307 0.845 10 0 BCAERO CCN1CCO[C@@H](C[NH2+]CC2(F)CC2)C1 ZINC000309066362 491143922 /nfs/dbraw/zinc/14/39/22/491143922.db2.gz ZQPMSJCCGBNDHI-JTQLQIEISA-N 1 0 216.300 0.799 10 0 BCAERO CNC(=S)N1CC[C@H]([NH+](C)C)[C@@H]1C ZINC000306381248 359731236 /nfs/dbraw/zinc/73/12/36/359731236.db2.gz WCOBVDBXPGHMGN-YUMQZZPRSA-N 1 0 201.339 0.515 10 0 BCAERO CCc1nc(C)cc(N2CC[C@H]([NH3+])C2)n1 ZINC000045954716 359747077 /nfs/dbraw/zinc/74/70/77/359747077.db2.gz DDQUNGOWVXTNSY-VIFPVBQESA-N 1 0 206.293 0.885 10 0 BCAERO C[C@H]1C2(CCS1(=O)=O)CC[NH2+]CC2 ZINC000306405460 359793477 /nfs/dbraw/zinc/79/34/77/359793477.db2.gz AIOLQBFGEVYOPL-QMMMGPOBSA-N 1 0 203.307 0.563 10 0 BCAERO [NH3+]CC1(C(=O)N[C@@H]2CCSC2)CCC1 ZINC000231353818 359904974 /nfs/dbraw/zinc/90/49/74/359904974.db2.gz LHTHRDGUPNYGGI-MRVPVSSYSA-N 1 0 214.334 0.737 10 0 BCAERO C[C@H]1CN(S(C)(=O)=O)CC[C@@H]1[NH2+]CCF ZINC000309160231 491145711 /nfs/dbraw/zinc/14/57/11/491145711.db2.gz YQWDGLHMRHVUAX-IUCAKERBSA-N 1 0 238.328 0.216 10 0 BCAERO C[C@H]1CN(C(=O)c2cncc(O)c2)C[C@@H]1[NH+](C)C ZINC000089710423 360035659 /nfs/dbraw/zinc/03/56/59/360035659.db2.gz LDYYSUHECOAUJX-CABZTGNLSA-N 1 0 249.314 0.809 10 0 BCAERO C[C@H]1CC[C@@H](C[NH3+])CN1S(C)(=O)=O ZINC000069728704 360052579 /nfs/dbraw/zinc/05/25/79/360052579.db2.gz XYKSUIFUZCFZQQ-YUMQZZPRSA-N 1 0 206.311 0.005 10 0 BCAERO C[C@@]1(C[NH2+][C@@H]2CCNC2=O)CCCS1 ZINC000306465643 360078664 /nfs/dbraw/zinc/07/86/64/360078664.db2.gz JZWPUZTYMFMURJ-SCZZXKLOSA-N 1 0 214.334 0.750 10 0 BCAERO Cn1ncnc1C(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000306469208 360084198 /nfs/dbraw/zinc/08/41/98/360084198.db2.gz PBDWBRLRUHPUTD-SFYZADRCSA-N 1 0 208.265 0.373 10 0 BCAERO O=[S@]1CCCN(C[C@H]2CCC[NH2+]2)CC1 ZINC000306481887 360144406 /nfs/dbraw/zinc/14/44/06/360144406.db2.gz KFDCGBLCZQQCCP-YGRLFVJLSA-N 1 0 216.350 0.193 10 0 BCAERO C[C@H]1CN(C(=O)CCCC[NH3+])C[C@H](C)O1 ZINC000069732592 360108505 /nfs/dbraw/zinc/10/85/05/360108505.db2.gz CWSOONZCBOANKG-UWVGGRQHSA-N 1 0 214.309 0.751 10 0 BCAERO COc1c(Cl)ncnc1NC1CN(C)C1 ZINC000306476144 360110487 /nfs/dbraw/zinc/11/04/87/360110487.db2.gz XUJRPYXGVMPVGW-UHFFFAOYSA-N 1 0 228.683 0.865 10 0 BCAERO CC[C@@H](O)CN1CCC[S@](=O)CC1 ZINC000306487509 360167928 /nfs/dbraw/zinc/16/79/28/360167928.db2.gz QANPHOOXWJDXLX-RNCFNFMXSA-N 1 0 205.323 0.212 10 0 BCAERO [NH3+][C@@H]1COC[C@@H]1Nc1ncncc1Cl ZINC000306498220 360236065 /nfs/dbraw/zinc/23/60/65/360236065.db2.gz DPRAHPHSYBJHRU-RQJHMYQMSA-N 1 0 214.656 0.268 10 0 BCAERO NC(=O)c1ccc(NC[C@@H]2CCC[NH2+]C2)nc1 ZINC000044503132 181300185 /nfs/dbraw/zinc/30/01/85/181300185.db2.gz CDCNDCYYMKUUSP-SECBINFHSA-N 1 0 234.303 0.592 10 0 BCAERO C[C@]1(CNC(=O)[C@@H]2CC[NH2+]2)CCCS1 ZINC000306515656 360342627 /nfs/dbraw/zinc/34/26/27/360342627.db2.gz FBHISGIKGIFCNT-WCBMZHEXSA-N 1 0 214.334 0.750 10 0 BCAERO NC(=O)c1ccc(OC[C@H]2CCC[NH2+]2)cc1 ZINC000043496549 181300717 /nfs/dbraw/zinc/30/07/17/181300717.db2.gz LRBSFHRRKCCYOY-SNVBAGLBSA-N 1 0 220.272 0.916 10 0 BCAERO Cc1ncsc1NC(=O)[C@@H]1CC[NH2+]C1 ZINC000306530180 360376824 /nfs/dbraw/zinc/37/68/24/360376824.db2.gz GQZMMJXPRJCRQI-SSDOTTSWSA-N 1 0 211.290 1.000 10 0 BCAERO C[C@@H]([NH3+])c1c[nH]c([C@@H](C)S(C)(=O)=O)n1 ZINC000306536714 360396018 /nfs/dbraw/zinc/39/60/18/360396018.db2.gz HOSFPRGCUHSAKC-PHDIDXHHSA-N 1 0 217.294 0.535 10 0 BCAERO O=C(Nc1ccc(Cl)nn1)[C@@H]1CC[NH2+]1 ZINC000306522235 360355748 /nfs/dbraw/zinc/35/57/48/360355748.db2.gz PJIVJKBJBBYTJC-YFKPBYRVSA-N 1 0 212.640 0.430 10 0 BCAERO C[C@H]([NH3+])[C@H](C)C(=O)N[C@H]1CSC[C@H]1C ZINC000306562751 360438942 /nfs/dbraw/zinc/43/89/42/360438942.db2.gz CPWNLNAZSMEWAE-XGEHTFHBSA-N 1 0 216.350 0.837 10 0 BCAERO C[NH2+][C@@H](c1nncn1C)[C@H]1CCSC1 ZINC000306562593 360438962 /nfs/dbraw/zinc/43/89/62/360438962.db2.gz OGMRPXRQJADMBZ-JGVFFNPUSA-N 1 0 212.322 0.829 10 0 BCAERO CC1(NC(=O)c2cc(Cl)c[nH]2)C[NH2+]C1 ZINC000306562299 360441014 /nfs/dbraw/zinc/44/10/14/360441014.db2.gz CHRDEQLGHUDIPH-UHFFFAOYSA-N 1 0 213.668 0.760 10 0 BCAERO COC1([C@@H]2OC[C@@H](C[NH3+])O2)CCCC1 ZINC000306543343 360411517 /nfs/dbraw/zinc/41/15/17/360411517.db2.gz SBEQERFWYOWYDG-RKDXNWHRSA-N 1 0 201.266 0.646 10 0 BCAERO C[C@@H]([NH3+])C[C@@H](C)N1CCCS1(=O)=O ZINC000306544369 360414583 /nfs/dbraw/zinc/41/45/83/360414583.db2.gz UXGGTAHIABMITH-HTQZYQBOSA-N 1 0 206.311 0.148 10 0 BCAERO CC[S@@](=O)CC1(O)C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000306546214 360416386 /nfs/dbraw/zinc/41/63/86/360416386.db2.gz AHJLKRMAHAEOAT-PYSJYSNASA-N 1 0 217.334 0.401 10 0 BCAERO O=C(N1CC([NH2+]C2CC2)C1)C(F)(F)F ZINC000306555553 360430051 /nfs/dbraw/zinc/43/00/51/360430051.db2.gz HPJYYIUNNUPBFF-UHFFFAOYSA-N 1 0 208.183 0.512 10 0 BCAERO CO[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CCSC1 ZINC000306557451 360432040 /nfs/dbraw/zinc/43/20/40/360432040.db2.gz JBYNFOXXJUWNQS-KXUCPTDWSA-N 1 0 217.334 0.885 10 0 BCAERO C[C@@H]1[C@H]([NH3+])CCCN1CC[S@](C)=O ZINC000306560118 360434904 /nfs/dbraw/zinc/43/49/04/360434904.db2.gz BANZJAVARPMESG-KKFJDGPESA-N 1 0 204.339 0.177 10 0 BCAERO CN([C@H]1CC[NH2+]C1)[S@](=O)C1CCCC1 ZINC000306560245 360435227 /nfs/dbraw/zinc/43/52/27/360435227.db2.gz RLEDRXHHNOLAJF-LKFCYVNXSA-N 1 0 216.350 0.886 10 0 BCAERO NC(=O)c1ccc(OCC2CC[NH2+]CC2)nc1 ZINC000051869817 181301529 /nfs/dbraw/zinc/30/15/29/181301529.db2.gz GSGJFBRPNWYDQK-UHFFFAOYSA-N 1 0 235.287 0.559 10 0 BCAERO O=c1[nH]cc(C[NH2+][C@@H]2CCCSC2)[nH]1 ZINC000306583532 360482334 /nfs/dbraw/zinc/48/23/34/360482334.db2.gz FAUMSLAFJWFTTH-SSDOTTSWSA-N 1 0 213.306 0.688 10 0 BCAERO C[C@@H]1C[C@@H](N2CC[C@H]([NH3+])C2=O)CS1 ZINC000306583762 360482428 /nfs/dbraw/zinc/48/24/28/360482428.db2.gz PTQOUHAOEWFTNB-PRJMDXOYSA-N 1 0 200.307 0.440 10 0 BCAERO C[C@@H]1CSC[C@H]1N1C[C@@H]([NH3+])CC1=O ZINC000306583723 360482610 /nfs/dbraw/zinc/48/26/10/360482610.db2.gz PSNQGEUAZGNCBL-GJMOJQLCSA-N 1 0 200.307 0.298 10 0 BCAERO C[C@@H]1CSC[C@@H]1NC(=O)C(C)(C)[NH3+] ZINC000306575085 360463960 /nfs/dbraw/zinc/46/39/60/360463960.db2.gz JENDRAXBCKLMPJ-RQJHMYQMSA-N 1 0 202.323 0.591 10 0 BCAERO N#Cc1ncccc1NC[C@@H]1C[NH2+]CCCO1 ZINC000389807188 360464154 /nfs/dbraw/zinc/46/41/54/360464154.db2.gz LSEKADPLQIRUCQ-JTQLQIEISA-N 1 0 232.287 0.744 10 0 BCAERO CC[C@@H]1[C@H](C[NH3+])CCN1S(C)(=O)=O ZINC000306576696 360466599 /nfs/dbraw/zinc/46/65/99/360466599.db2.gz KOGQFBSNAMZOHN-JGVFFNPUSA-N 1 0 206.311 0.005 10 0 BCAERO CC[N@H+]1C[C@H](NCc2cn(C)nn2)[C@@H](C)C1 ZINC000309489830 491149610 /nfs/dbraw/zinc/14/96/10/491149610.db2.gz WTZOMFMYBXWPSK-ONGXEEELSA-N 1 0 223.324 0.245 10 0 BCAERO O=C(NCCO)[C@H]1CCCCCC[NH2+]1 ZINC000300825614 360524356 /nfs/dbraw/zinc/52/43/56/360524356.db2.gz BVPPNWMEPMRKMM-SECBINFHSA-N 1 0 200.282 0.017 10 0 BCAERO C[C@H]1CC[C@H](C(=O)c2cn(C)cn2)C[NH2+]1 ZINC000306591269 360505087 /nfs/dbraw/zinc/50/50/87/360505087.db2.gz YKANAAPOEPCEAH-IUCAKERBSA-N 1 0 207.277 0.991 10 0 BCAERO C[C@@H]([NH2+][C@@H]1CC[NH2+]CC1(C)C)C(=O)[O-] ZINC000300801582 360514178 /nfs/dbraw/zinc/51/41/78/360514178.db2.gz FOURCQGQWZGPEV-HTQZYQBOSA-N 1 0 200.282 0.437 10 0 BCAERO C[C@@H]1CSC[C@@H]1N1CC[C@@H]([NH3+])C1=O ZINC000306596060 360515344 /nfs/dbraw/zinc/51/53/44/360515344.db2.gz YKJOZDNELHMWJE-PRJMDXOYSA-N 1 0 200.307 0.298 10 0 BCAERO C[C@@H](O)C[N@H+](C)[C@@H]1CC[NH2+]CC1(C)C ZINC000300811052 360517785 /nfs/dbraw/zinc/51/77/85/360517785.db2.gz HDCUBOFKCNOEEC-NXEZZACHSA-N 1 0 200.326 0.687 10 0 BCAERO NC(=O)c1cccc(CNC2CC[NH2+]CC2)c1 ZINC000038040880 181302979 /nfs/dbraw/zinc/30/29/79/181302979.db2.gz VDSBLMYWCLCNLE-UHFFFAOYSA-N 1 0 233.315 0.627 10 0 BCAERO CC(C)(C)OC(=O)N1C[C@]2(C[NH3+])C[C@H]1CO2 ZINC000238141751 360624672 /nfs/dbraw/zinc/62/46/72/360624672.db2.gz NROFQLXUAGEBRC-GZMMTYOYSA-N 1 0 228.292 0.724 10 0 BCAERO NC(=O)c1cccnc1NC[C@H]1CCC[NH2+]1 ZINC000053255078 181307463 /nfs/dbraw/zinc/30/74/63/181307463.db2.gz RPMDJGZJHHWCPO-MRVPVSSYSA-N 1 0 220.276 0.344 10 0 BCAERO NC(=O)c1ccccc1N[C@H]1CC[NH2+]C1 ZINC000052093675 181305951 /nfs/dbraw/zinc/30/59/51/181305951.db2.gz BDSBBZCVFBUYIU-QMMMGPOBSA-N 1 0 205.261 0.559 10 0 BCAERO NC(=O)c1ccccc1N1CCC[NH2+]CC1 ZINC000020075425 181306129 /nfs/dbraw/zinc/30/61/29/181306129.db2.gz BJXSKXJZWPHDLX-UHFFFAOYSA-N 1 0 219.288 0.585 10 0 BCAERO NC(=O)c1ccccc1NC(=O)[C@@H]1CCCC[NH2+]1 ZINC000019411861 181306532 /nfs/dbraw/zinc/30/65/32/181306532.db2.gz UEFNSYWQZVZHFO-NSHDSACASA-N 1 0 247.298 0.866 10 0 BCAERO NC(=O)c1ccccc1O[C@@H]1CCC[NH2+]C1 ZINC000043501489 181306807 /nfs/dbraw/zinc/30/68/07/181306807.db2.gz BMFZPGSKOZHRMT-SECBINFHSA-N 1 0 220.272 0.916 10 0 BCAERO NC(=O)c1cccnc1NC1CC([NH3+])C1 ZINC000036268708 181307058 /nfs/dbraw/zinc/30/70/58/181307058.db2.gz ATHQUHRBLQWNNW-UHFFFAOYSA-N 1 0 206.249 0.082 10 0 BCAERO NC(=O)c1ccsc1NC(=O)[C@H]1CCC[NH2+]1 ZINC000040859312 181308321 /nfs/dbraw/zinc/30/83/21/181308321.db2.gz PVUZASIUORJGDV-SSDOTTSWSA-N 1 0 239.300 0.538 10 0 BCAERO CN1CC[NH2+]C[C@H]1CCNC(=O)OC(C)(C)C ZINC000238300509 360790465 /nfs/dbraw/zinc/79/04/65/360790465.db2.gz XRDIHSLFXLSWJX-SNVBAGLBSA-N 1 0 243.351 0.805 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)N1CCC[C@H](OC)C1 ZINC000154283445 360792317 /nfs/dbraw/zinc/79/23/17/360792317.db2.gz VDFCFIFGECEEEB-VHSXEESVSA-N 1 0 214.309 0.751 10 0 BCAERO NC(=O)c1nccnc1N[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000063214485 181313911 /nfs/dbraw/zinc/31/39/11/181313911.db2.gz LXCVAXFWCHHJBZ-DTWKUNHWSA-N 1 0 249.318 0.647 10 0 BCAERO NC(=O)c1nccnc1N[C@H]1CCCC[C@@H]1[NH3+] ZINC000054399060 181314361 /nfs/dbraw/zinc/31/43/61/181314361.db2.gz PWGNAYMUENXAEO-YUMQZZPRSA-N 1 0 235.291 0.257 10 0 BCAERO CCN(C(=O)[C@H]1CCOC1)[C@H]1CC[NH2+]C1 ZINC000040941620 360913478 /nfs/dbraw/zinc/91/34/78/360913478.db2.gz XPOSYOWRCANTKY-UWVGGRQHSA-N 1 0 212.293 0.233 10 0 BCAERO Cc1cccc(NC(=O)NC[C@H]2C[NH2+]C[C@H]2O)c1 ZINC000414666277 200757256 /nfs/dbraw/zinc/75/72/56/200757256.db2.gz GCUKLDSIZQVBDW-ZYHUDNBSSA-N 1 0 249.314 0.697 10 0 BCAERO CC[C@@H](O)C[NH2+][C@@H]1CCN(C(C)=O)C[C@@H]1C ZINC000309672527 491153634 /nfs/dbraw/zinc/15/36/34/491153634.db2.gz WPDIOUIHXBFZMD-MVWJERBFSA-N 1 0 228.336 0.604 10 0 BCAERO COc1cc(N[C@@H]2CC[NH2+][C@H]2C)ncn1 ZINC000629381176 361028221 /nfs/dbraw/zinc/02/82/21/361028221.db2.gz CPIOKWKOMQKVPI-JGVFFNPUSA-N 1 0 208.265 0.648 10 0 BCAERO Cc1nc(NN)[nH+]cc1Br ZINC000306613824 361086022 /nfs/dbraw/zinc/08/60/22/361086022.db2.gz OFAZMTRHJSBKQE-UHFFFAOYSA-N 1 0 203.043 0.833 10 0 BCAERO [NH3+]C1(C(=O)N2CCC[C@@H](O)C2)CCCCC1 ZINC000035624050 181323754 /nfs/dbraw/zinc/32/37/54/181323754.db2.gz HPBVAVGPUMBORA-SNVBAGLBSA-N 1 0 226.320 0.631 10 0 BCAERO [NH3+]C1(C(=O)N2CCC[C@H]2CO)CCCCC1 ZINC000042434859 181323769 /nfs/dbraw/zinc/32/37/69/181323769.db2.gz BEMGADZRPQEUGI-JTQLQIEISA-N 1 0 226.320 0.631 10 0 BCAERO C[NH+](C)[C@@H]1CN(Cc2ccccn2)CC[C@@H]1CO ZINC000169786484 361115171 /nfs/dbraw/zinc/11/51/71/361115171.db2.gz GPAOMUQXNYEPDN-TZMCWYRMSA-N 1 0 249.358 0.826 10 0 BCAERO C[C@@H]1CC[NH2+][C@@H](CCS(C)(=O)=O)C1 ZINC000069940532 361162567 /nfs/dbraw/zinc/16/25/67/361162567.db2.gz DCNLGYISHKQOCQ-BDAKNGLRSA-N 1 0 205.323 0.809 10 0 BCAERO CC[S@](=O)N1CCC[C@@H]2C[NH2+]C[C@@H]21 ZINC000306614642 361143500 /nfs/dbraw/zinc/14/35/00/361143500.db2.gz APVCRUDEVBWOOE-ZDMBXUJBSA-N 1 0 202.323 0.354 10 0 BCAERO CC(C)(C)[C@@H](C(=O)[O-])[N@@H+]1CCC[NH2+]CC1 ZINC000041051834 361206673 /nfs/dbraw/zinc/20/66/73/361206673.db2.gz MNVCBTWPJDDQGV-SECBINFHSA-N 1 0 214.309 0.781 10 0 BCAERO [NH3+]C1CC(N2C(=O)c3ccccc3C2=O)C1 ZINC000041054318 361208315 /nfs/dbraw/zinc/20/83/15/361208315.db2.gz UVXYDVBGXUDMJG-UHFFFAOYSA-N 1 0 216.240 0.772 10 0 BCAERO Cc1nnc(NC(=O)[C@@H]2C[NH2+]C[C@H]2C)s1 ZINC000158751349 361211435 /nfs/dbraw/zinc/21/14/35/361211435.db2.gz QGNWKNOSSPSZPI-IYSWYEEDSA-N 1 0 226.305 0.641 10 0 BCAERO [NH3+]C1(C(=O)N[C@H]2CCCOC2)CCCC1 ZINC000071023714 181327612 /nfs/dbraw/zinc/32/76/12/181327612.db2.gz QDFTXGYUBGFDQU-VIFPVBQESA-N 1 0 212.293 0.553 10 0 BCAERO CCc1nnc(CN2CCCC[C@H]2C[NH3+])n1C ZINC000579122943 366717765 /nfs/dbraw/zinc/71/77/65/366717765.db2.gz KZBQUPIHNKBIBL-JTQLQIEISA-N 1 0 237.351 0.691 10 0 BCAERO [NH3+][C@@H]1CCN(C(=O)[C@@H]2CCSC2)C1 ZINC000069986664 361322712 /nfs/dbraw/zinc/32/27/12/361322712.db2.gz RSQIWEMFCOKAQF-HTQZYQBOSA-N 1 0 200.307 0.299 10 0 BCAERO [NH3+]C[C@H]1CCN(C(=O)[C@@H]2CCSC2)C1 ZINC000069986678 361322717 /nfs/dbraw/zinc/32/27/17/361322717.db2.gz VHSCOOFGLGIWQV-RKDXNWHRSA-N 1 0 214.334 0.547 10 0 BCAERO [NH3+]C1(C(=O)OC[C@@H]2CCCO2)CCCC1 ZINC000048637103 181330466 /nfs/dbraw/zinc/33/04/66/181330466.db2.gz XWSCFZJTXPIQIB-VIFPVBQESA-N 1 0 213.277 0.980 10 0 BCAERO COC[C@H](C)NC(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000036757044 361394945 /nfs/dbraw/zinc/39/49/45/361394945.db2.gz WNOSUBXRUHGCRV-QWRGUYRKSA-N 1 0 228.336 0.917 10 0 BCAERO C[C@@H]1C[C@@H](O)C[N@@H+]1C[C@H]1CCOCO1 ZINC000306635573 361380414 /nfs/dbraw/zinc/38/04/14/361380414.db2.gz LIEYDZCWSNPCQX-OPRDCNLKSA-N 1 0 201.266 0.205 10 0 BCAERO C[C@@H]1C[NH2+]CC[C@@H]1N1CCS(=O)CC1 ZINC000070045877 361382852 /nfs/dbraw/zinc/38/28/52/361382852.db2.gz QHXRCNJRZNNDDS-ZJUUUORDSA-N 1 0 216.350 0.049 10 0 BCAERO Brc1c[nH]nc1CN[C@H]1CC[NH2+]C1 ZINC000579342247 366761873 /nfs/dbraw/zinc/76/18/73/366761873.db2.gz ZMZYQDNDIIBLPA-LURJTMIESA-N 1 0 245.124 0.624 10 0 BCAERO [NH3+]C1(CNS(=O)(=O)C(F)F)CCCCC1 ZINC000036266720 181332846 /nfs/dbraw/zinc/33/28/46/181332846.db2.gz JQAUOHDLAJMXDJ-UHFFFAOYSA-N 1 0 242.291 0.790 10 0 BCAERO CN1CCOC[C@H]1C[NH2+][C@@H]1CCCC[C@H]1O ZINC000629599443 361487940 /nfs/dbraw/zinc/48/79/40/361487940.db2.gz HGXPPVFPSVVUIK-IJLUTSLNSA-N 1 0 228.336 0.210 10 0 BCAERO O[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCOC[C@H]1O ZINC000629609332 361496484 /nfs/dbraw/zinc/49/64/84/361496484.db2.gz WYRLAONKAGTNBO-GWOFURMSSA-N 1 0 215.293 0.029 10 0 BCAERO [NH3+]C1CC(NC(=O)Cc2cccc(F)c2)C1 ZINC000036237300 181340267 /nfs/dbraw/zinc/34/02/67/181340267.db2.gz VNXDYCRRKCCMCC-UHFFFAOYSA-N 1 0 222.263 0.974 10 0 BCAERO C[C@H]1[C@@H](O)CCC[N@@H+]1CCCN1CCOCC1 ZINC000448549106 201214943 /nfs/dbraw/zinc/21/49/43/201214943.db2.gz UXCZSADUOQJDPM-STQMWFEESA-N 1 0 242.363 0.554 10 0 BCAERO [NH3+]C1CCC(C(=O)N2CCC(O)CC2)CC1 ZINC000037481798 181340338 /nfs/dbraw/zinc/34/03/38/181340338.db2.gz IOQYBNALSRYJGG-UHFFFAOYSA-N 1 0 226.320 0.487 10 0 BCAERO [NH3+]C1CCC(C(=O)N2CCS(=O)CC2)CC1 ZINC000049692756 181340425 /nfs/dbraw/zinc/34/04/25/181340425.db2.gz MXAKRYNIHCVYAH-UHFFFAOYSA-N 1 0 244.360 0.095 10 0 BCAERO CC(C)[C@@H](C)[N@H+](C)CC(C)(CO)CO ZINC000133751775 491159985 /nfs/dbraw/zinc/15/99/85/491159985.db2.gz ZWOBCRGWDWJIFU-SNVBAGLBSA-N 1 0 203.326 0.954 10 0 BCAERO [NH3+]C1CCC(NS(=O)(=O)C(F)F)CC1 ZINC000036880738 181342782 /nfs/dbraw/zinc/34/27/82/181342782.db2.gz WHVZPNRAHRLCOX-UHFFFAOYSA-N 1 0 228.264 0.398 10 0 BCAERO [NH3+]C1CCC2(CC[N@H+](CC(=O)[O-])C2)CC1 ZINC000095077332 181342826 /nfs/dbraw/zinc/34/28/26/181342826.db2.gz YBDKXBFOZMAQEH-UHFFFAOYSA-N 1 0 212.293 0.664 10 0 BCAERO C[C@H]1CC[C@@]([NH3+])(CCS(C)(=O)=O)C1 ZINC000070645441 361693525 /nfs/dbraw/zinc/69/35/25/361693525.db2.gz YSGXWUZXYFWZDD-DTWKUNHWSA-N 1 0 205.323 0.939 10 0 BCAERO C[C@@H](O)[C@H]([NH3+])CNc1ccc(Cl)nn1 ZINC000070648194 361696011 /nfs/dbraw/zinc/69/60/11/361696011.db2.gz ZLJGBUKVWPNLAQ-PHDIDXHHSA-N 1 0 216.672 0.250 10 0 BCAERO CCN1CCO[C@H](C[NH3+])[C@@H]1c1cnn(C)c1 ZINC000069797605 541304251 /nfs/dbraw/zinc/30/42/51/541304251.db2.gz MOAMHZRMACVAMG-MNOVXSKESA-N 1 0 224.308 0.141 10 0 BCAERO CC[NH2+]C[C@@H](O)C[C@](C)(O)C1CCC1 ZINC000584883669 541307014 /nfs/dbraw/zinc/30/70/14/541307014.db2.gz ZASMROPFWQLEOC-QWRGUYRKSA-N 1 0 201.310 0.898 10 0 BCAERO [NH3+]CC(=O)NCCCOc1ccc(F)cc1F ZINC000041290059 181352705 /nfs/dbraw/zinc/35/27/05/181352705.db2.gz YILYCJHBERXTOX-UHFFFAOYSA-N 1 0 244.241 0.809 10 0 BCAERO [NH3+]CC(=O)NCc1c(F)cccc1F ZINC000083343319 181354346 /nfs/dbraw/zinc/35/43/46/181354346.db2.gz JFRTZGZEKDETIO-UHFFFAOYSA-N 1 0 200.188 0.540 10 0 BCAERO CCN(C)C(=O)N1C[C@H](OC)C[C@]1(C)C[NH3+] ZINC000630368050 364084871 /nfs/dbraw/zinc/08/48/71/364084871.db2.gz PZPFRBPGWMWFHB-MWLCHTKSSA-N 1 0 229.324 0.496 10 0 BCAERO CO[C@H]1CN(Cc2nc(C)no2)[C@](C)(C[NH3+])C1 ZINC000630359911 364080303 /nfs/dbraw/zinc/08/03/03/364080303.db2.gz FTSYRTGFXYBOAN-KOLCDFICSA-N 1 0 240.307 0.316 10 0 BCAERO CO[C@H]1CN(Cc2ccno2)[C@@](C)(C[NH3+])C1 ZINC000630361801 364080689 /nfs/dbraw/zinc/08/06/89/364080689.db2.gz VWNZCJZJQGHJOX-GHMZBOCLSA-N 1 0 225.292 0.613 10 0 BCAERO CC[C@@]([NH3+])(CCCn1ccnc1)C(N)=O ZINC000725256039 541332754 /nfs/dbraw/zinc/33/27/54/541332754.db2.gz QJIRHDSZJRAXSN-SNVBAGLBSA-N 1 0 210.281 0.256 10 0 BCAERO C[N@H+](CC(C)(C)O)[C@H]1CCCC[C@H]1[NH3+] ZINC000252612106 364054647 /nfs/dbraw/zinc/05/46/47/364054647.db2.gz WCNPVENHABTHPC-ZJUUUORDSA-N 1 0 200.326 0.959 10 0 BCAERO C[C@H](NC(=O)C1([NH3+])CCCC1)[C@@H]1CCCO1 ZINC000037479489 364062513 /nfs/dbraw/zinc/06/25/13/364062513.db2.gz HQIUJMCJAIDQFU-UWVGGRQHSA-N 1 0 226.320 0.942 10 0 BCAERO CO[C@H]1CN(C(=O)C(C)C)[C@@](C)(C[NH3+])C1 ZINC000630365855 364083755 /nfs/dbraw/zinc/08/37/55/364083755.db2.gz ZBTOTUFPGOTYQV-MWLCHTKSSA-N 1 0 214.309 0.607 10 0 BCAERO CCCNC(=O)NC[C@@H]([NH3+])[C@H]1CCOC1 ZINC000725254943 541331992 /nfs/dbraw/zinc/33/19/92/541331992.db2.gz KXOOJKCKEQMDJB-DTWKUNHWSA-N 1 0 215.297 0.059 10 0 BCAERO CO[C@@H]1CN(C(=O)N(C)C)[C@@](C)(C[NH3+])C1 ZINC000630369394 364087245 /nfs/dbraw/zinc/08/72/45/364087245.db2.gz WXKIXDPJIGPKLK-WCBMZHEXSA-N 1 0 215.297 0.106 10 0 BCAERO CO[C@@H]1CN(C(=O)c2ccncc2)[C@](C)(C[NH3+])C1 ZINC000630369651 364088111 /nfs/dbraw/zinc/08/81/11/364088111.db2.gz BOTSRKQQZKXVRN-AAEUAGOBSA-N 1 0 249.314 0.660 10 0 BCAERO CO[C@@H]1CN(C(=O)[C@@H](C)C2CC2)[C@@](C)(C[NH3+])C1 ZINC000630372347 364089091 /nfs/dbraw/zinc/08/90/91/364089091.db2.gz WWLFXCYJJGJRAX-XHVZSJERSA-N 1 0 240.347 0.997 10 0 BCAERO CO[C@H]1CN(C(=O)c2cccnc2)[C@](C)(C[NH3+])C1 ZINC000630374635 364089488 /nfs/dbraw/zinc/08/94/88/364089488.db2.gz ZRCBBANCZAFMRF-YPMHNXCESA-N 1 0 249.314 0.660 10 0 BCAERO CO[C@H]1CN(C(=O)c2ccccn2)[C@@](C)(C[NH3+])C1 ZINC000630372177 364089524 /nfs/dbraw/zinc/08/95/24/364089524.db2.gz PQQGLBIVMUURMX-ZWNOBZJWSA-N 1 0 249.314 0.660 10 0 BCAERO [NH3+]CC(=O)Nc1cccc(-n2cccn2)c1 ZINC000037004059 181355737 /nfs/dbraw/zinc/35/57/37/181355737.db2.gz PLHCGWOQIUUSJQ-UHFFFAOYSA-N 1 0 216.244 0.770 10 0 BCAERO CCC(=O)N1C[C@H](C)OC2(CC[NH2+]CC2)C1 ZINC000725272959 541340443 /nfs/dbraw/zinc/34/04/43/541340443.db2.gz WEPLLCOSMISUAH-JTQLQIEISA-N 1 0 226.320 0.766 10 0 BCAERO C[C@@H](NC(=O)C[NH+](C)C)[C@H]1CCCO1 ZINC000170754263 364165551 /nfs/dbraw/zinc/16/55/51/364165551.db2.gz UOJXNLPEWFJKTO-RKDXNWHRSA-N 1 0 200.282 0.232 10 0 BCAERO [NH3+]CC1(C(=O)N2CCC[C@H]2CO)CCCC1 ZINC000044763223 181357712 /nfs/dbraw/zinc/35/77/12/181357712.db2.gz CIXPFUSINMPYCB-JTQLQIEISA-N 1 0 226.320 0.489 10 0 BCAERO CCCC[N@H+](CCO)[C@@H]1CCOC[C@H]1O ZINC000725273028 541340360 /nfs/dbraw/zinc/34/03/60/541340360.db2.gz POXCOXPZZADNOG-GHMZBOCLSA-N 1 0 217.309 0.231 10 0 BCAERO COc1cccnc1NC[C@H]1C[NH2+]C[C@@H]1O ZINC000630514106 364199134 /nfs/dbraw/zinc/19/91/34/364199134.db2.gz VDEKPCMKGBSPJE-BDAKNGLRSA-N 1 0 223.276 0.082 10 0 BCAERO [NH3+]C1(CNc2ncccn2)CCOCC1 ZINC000630525113 364212466 /nfs/dbraw/zinc/21/24/66/364212466.db2.gz BTSGYKOCQVZMBZ-UHFFFAOYSA-N 1 0 208.265 0.396 10 0 BCAERO C[NH2+]CCOCCN(C)c1nc(C)cc(C)n1 ZINC000630529158 364215889 /nfs/dbraw/zinc/21/58/89/364215889.db2.gz STHXPAHFNLLDJB-UHFFFAOYSA-N 1 0 238.335 0.766 10 0 BCAERO C[NH2+]CCOCCN(C)c1cc(OC)ncn1 ZINC000630529164 364215960 /nfs/dbraw/zinc/21/59/60/364215960.db2.gz SUUSEDRXNPLQQU-UHFFFAOYSA-N 1 0 240.307 0.157 10 0 BCAERO C[NH2+]CCOCCN(C)c1ncc(Cl)cn1 ZINC000630530929 364220248 /nfs/dbraw/zinc/22/02/48/364220248.db2.gz QHIJWABGIPOUQJ-UHFFFAOYSA-N 1 0 244.726 0.802 10 0 BCAERO CCOc1nccnc1N(C)CCOCC[NH3+] ZINC000630536014 364231375 /nfs/dbraw/zinc/23/13/75/364231375.db2.gz KPVMTKQGBVOPCT-UHFFFAOYSA-N 1 0 240.307 0.287 10 0 BCAERO COc1ccnc(N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)n1 ZINC000630537818 364233488 /nfs/dbraw/zinc/23/34/88/364233488.db2.gz FIHCHORUGGQEQW-BETUJISGSA-N 1 0 248.330 0.921 10 0 BCAERO CN(CCOCC[NH3+])c1nc2ccccc2[nH]1 ZINC000630539606 364234250 /nfs/dbraw/zinc/23/42/50/364234250.db2.gz UOMUBXJHYIUSRU-UHFFFAOYSA-N 1 0 234.303 0.974 10 0 BCAERO Cc1nnc(N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)nc1C ZINC000630540142 364234667 /nfs/dbraw/zinc/23/46/67/364234667.db2.gz TWCIYZNLJPCKNR-BETUJISGSA-N 1 0 247.346 0.924 10 0 BCAERO C[C@@H]1[NH2+]CC[C@H]1Nc1cnn(C)c(=O)c1Cl ZINC000630542999 364238848 /nfs/dbraw/zinc/23/88/48/364238848.db2.gz AEBQYVKIQXZICT-NKWVEPMBSA-N 1 0 242.710 0.596 10 0 BCAERO [NH3+][C@@H]1CCCCCN(c2ccc3nncn3n2)C1 ZINC000630550877 364245029 /nfs/dbraw/zinc/24/50/29/364245029.db2.gz WGHFRSUEXYJBMK-SNVBAGLBSA-N 1 0 246.318 0.832 10 0 BCAERO C[C@@H]1CN(c2ccnc(N(C)C)n2)C[C@@H]1C[NH3+] ZINC000630552199 364246969 /nfs/dbraw/zinc/24/69/69/364246969.db2.gz CEVBLTMRPKZWBN-ZJUUUORDSA-N 1 0 235.335 0.574 10 0 BCAERO [NH3+]CC1(C(=O)NCc2cccnc2)CC1 ZINC000077298713 181359222 /nfs/dbraw/zinc/35/92/22/181359222.db2.gz LIPKPRJFVQXJRW-UHFFFAOYSA-N 1 0 205.261 0.437 10 0 BCAERO C[C@H]1C[C@H]([NH3+])CN1c1cnn(C)c(=O)c1Cl ZINC000630556733 364256857 /nfs/dbraw/zinc/25/68/57/364256857.db2.gz CGNXNWYASQZIDP-BQBZGAKWSA-N 1 0 242.710 0.360 10 0 BCAERO C[C@H]1C[C@H]([NH3+])CN1c1cn[nH]c(=O)c1Cl ZINC000630557193 364258466 /nfs/dbraw/zinc/25/84/66/364258466.db2.gz HYMZZPSKGMFYKM-WDSKDSINSA-N 1 0 228.683 0.762 10 0 BCAERO [NH3+]CC1(C(=O)NCc2ccco2)CCOCC1 ZINC000044761233 181359600 /nfs/dbraw/zinc/35/96/00/181359600.db2.gz XJSZAJYJXXAUQT-UHFFFAOYSA-N 1 0 238.287 0.651 10 0 BCAERO [NH3+]CC1(NS(=O)(=O)N2CCCC2)CCCC1 ZINC000020431586 181360010 /nfs/dbraw/zinc/36/00/10/181360010.db2.gz DIHRTXPFPWELJX-UHFFFAOYSA-N 1 0 247.364 0.188 10 0 BCAERO C[C@H]1CN(c2ncnc3[nH]ccc32)C[C@@H]1C[NH3+] ZINC000630570955 364265729 /nfs/dbraw/zinc/26/57/29/364265729.db2.gz NFCKWNCIBJIDJF-IUCAKERBSA-N 1 0 231.303 0.989 10 0 BCAERO C[C@H]1CN(c2ncnc3[nH]ccc32)C[C@H]1C[NH3+] ZINC000630570954 364266411 /nfs/dbraw/zinc/26/64/11/364266411.db2.gz NFCKWNCIBJIDJF-DTWKUNHWSA-N 1 0 231.303 0.989 10 0 BCAERO C[NH+]1CCN(c2cccc3nc(CO)cn32)CC1 ZINC000139619306 364228256 /nfs/dbraw/zinc/22/82/56/364228256.db2.gz NDLWKLMYOAVWPJ-UHFFFAOYSA-N 1 0 246.314 0.578 10 0 BCAERO [NH3+]CCCOCCNc1cn[nH]c(=O)c1Cl ZINC000630535598 364228332 /nfs/dbraw/zinc/22/83/32/364228332.db2.gz XOCZRJAOGGNVNO-UHFFFAOYSA-N 1 0 246.698 0.613 10 0 BCAERO [NH3+]CC1(Nc2cncc3nnnn32)CCCC1 ZINC000111822945 181361947 /nfs/dbraw/zinc/36/19/47/181361947.db2.gz RIWSFYQUMYWEAC-UHFFFAOYSA-N 1 0 233.279 0.203 10 0 BCAERO Cc1c(CN[C@@H]2CC[C@H](C)[NH2+]C2)cnn1C ZINC000398955998 364278972 /nfs/dbraw/zinc/27/89/72/364278972.db2.gz IEWIYHHZEUEJKX-JOYOIKCWSA-N 1 0 222.336 0.959 10 0 BCAERO CCCCNC(=O)C[NH2+][C@H]1CCO[C@H]1C ZINC000134541649 364405794 /nfs/dbraw/zinc/40/57/94/364405794.db2.gz WYYBXJDEOWGNHD-UWVGGRQHSA-N 1 0 214.309 0.670 10 0 BCAERO COCC[N@H+](C)CCNC(=O)N[C@@H]1C[C@@H]1C ZINC000170815469 364360399 /nfs/dbraw/zinc/36/03/99/364360399.db2.gz FFLYCDOXGMUUJJ-VHSXEESVSA-N 1 0 229.324 0.272 10 0 BCAERO OCc1ccnc(N2CC[N@@H+]3CCCC[C@H]3C2)n1 ZINC000547340328 364391484 /nfs/dbraw/zinc/39/14/84/364391484.db2.gz ZCIUZVYYEWHSTJ-LBPRGKRZSA-N 1 0 248.330 0.643 10 0 BCAERO [NH3+]CC1CCN(S(=O)(=O)c2cc[nH]c2)CC1 ZINC000036296652 181364854 /nfs/dbraw/zinc/36/48/54/181364854.db2.gz MYXYXSJSLNHBII-UHFFFAOYSA-N 1 0 243.332 0.374 10 0 BCAERO [NH3+]CC1CCN(C(=O)NC2CCC2)CC1 ZINC000082641723 181365509 /nfs/dbraw/zinc/36/55/09/181365509.db2.gz OVAIMMJSRIOZLG-UHFFFAOYSA-N 1 0 211.309 0.919 10 0 BCAERO [NH3+]CC1CCN(C(=O)N2CCCC2)CC1 ZINC000082641699 181365536 /nfs/dbraw/zinc/36/55/36/181365536.db2.gz LRHIIZPDCUDBOV-UHFFFAOYSA-N 1 0 211.309 0.873 10 0 BCAERO CSCC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170860944 364533950 /nfs/dbraw/zinc/53/39/50/364533950.db2.gz MUDVAUXNIQJKIB-MRVPVSSYSA-N 1 0 202.323 0.512 10 0 BCAERO CCOCCC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170868706 364546946 /nfs/dbraw/zinc/54/69/46/364546946.db2.gz MLECQHROFNZVME-SNVBAGLBSA-N 1 0 214.309 0.576 10 0 BCAERO COCC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000247142074 364619549 /nfs/dbraw/zinc/61/95/49/364619549.db2.gz JTFINIXQXKPMOY-ZJUUUORDSA-N 1 0 212.293 0.328 10 0 BCAERO [NH3+]CCC(=O)N[C@H]1CCC[C@H]1n1ccnc1 ZINC000037045768 181368704 /nfs/dbraw/zinc/36/87/04/181368704.db2.gz CQFBBYHOWJVWFK-VHSXEESVSA-N 1 0 222.292 0.442 10 0 BCAERO CCC[C@H](C[NH2+]C1CCN(CCO)CC1)OC ZINC000399022108 364727144 /nfs/dbraw/zinc/72/71/44/364727144.db2.gz HQZJYLZUNSODDC-CYBMUJFWSA-N 1 0 244.379 0.848 10 0 BCAERO C[NH2+][C@H](C)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000167529882 364795894 /nfs/dbraw/zinc/79/58/94/364795894.db2.gz XFFAZMUCYDEWBM-IJLUTSLNSA-N 1 0 239.363 0.537 10 0 BCAERO [NH3+]CCCC(=O)N1CCCC[C@H]1CO ZINC000036135525 181371357 /nfs/dbraw/zinc/37/13/57/181371357.db2.gz LANCAVJYWMAIIV-VIFPVBQESA-N 1 0 200.282 0.099 10 0 BCAERO [NH3+]CCCC(=O)NC[C@@H](O)Cc1ccccc1 ZINC000237920564 181372124 /nfs/dbraw/zinc/37/21/24/181372124.db2.gz ZANBBOVUAFPTAN-LBPRGKRZSA-N 1 0 236.315 0.445 10 0 BCAERO [NH3+]CCCC(=O)NC[C@H]1Cc2ccccc2O1 ZINC000038010056 181372139 /nfs/dbraw/zinc/37/21/39/181372139.db2.gz RQOQTDVSXCLCNR-LLVKDONJSA-N 1 0 234.299 0.845 10 0 BCAERO Cn1ccc(CC(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)n1 ZINC000573833964 364926464 /nfs/dbraw/zinc/92/64/64/364926464.db2.gz IXIWGJKNDJSAMX-ZMLRMANQSA-N 1 0 248.330 0.158 10 0 BCAERO [NH3+]CCCCCC(=O)N1CCC[C@@H]1CO ZINC000002547576 181373893 /nfs/dbraw/zinc/37/38/93/181373893.db2.gz SXOAEWUKQBSCPB-SNVBAGLBSA-N 1 0 214.309 0.489 10 0 BCAERO COc1cc(OC)nc(N(C)CCC[NH3+])n1 ZINC000168428821 364929787 /nfs/dbraw/zinc/92/97/87/364929787.db2.gz JCHSATKMQSNZKU-UHFFFAOYSA-N 1 0 226.280 0.279 10 0 BCAERO NC(=O)C1CCN(C(=O)CCCCC[NH3+])CC1 ZINC000019430066 181373598 /nfs/dbraw/zinc/37/35/98/181373598.db2.gz WDHBIAUNYXEHLK-UHFFFAOYSA-N 1 0 241.335 0.229 10 0 BCAERO CCC[C@H](C)C(=O)N(CC[NH3+])CCOC ZINC000124281703 541424079 /nfs/dbraw/zinc/42/40/79/541424079.db2.gz VXBXCAQCJNRZDW-JTQLQIEISA-N 1 0 216.325 0.856 10 0 BCAERO [NH3+][C@@]1(CO)CCCN(C(=O)C2CCC2)C1 ZINC000669385018 541438375 /nfs/dbraw/zinc/43/83/75/541438375.db2.gz SYTWIZLNWXQUOJ-NSHDSACASA-N 1 0 212.293 0.099 10 0 BCAERO CCC[C@H](C)C(=O)N1CCC[C@@]([NH3+])(CO)C1 ZINC000669384870 541438452 /nfs/dbraw/zinc/43/84/52/541438452.db2.gz KPDRJYYICXFPPG-JQWIXIFHSA-N 1 0 228.336 0.735 10 0 BCAERO CC1(C(=O)N2CCC[C@@]([NH3+])(CO)C2)CC1 ZINC000669385144 541438494 /nfs/dbraw/zinc/43/84/94/541438494.db2.gz ZXUNJBSXYKVLJS-NSHDSACASA-N 1 0 212.293 0.099 10 0 BCAERO COC(=O)[C@H](C)NC[C@@H]1CC[C@H]([NH3+])C1 ZINC000669384998 541438253 /nfs/dbraw/zinc/43/82/53/541438253.db2.gz RTUDUEHPFGTNCA-YIZRAAEISA-N 1 0 200.282 0.265 10 0 BCAERO [NH3+]CCCCn1nc2ccccn2c1=O ZINC000019266324 181380291 /nfs/dbraw/zinc/38/02/91/181380291.db2.gz YMLGVVVJQNRNAZ-UHFFFAOYSA-N 1 0 206.249 0.235 10 0 BCAERO COCCC(=O)N1CCCCC[C@H]1C[NH3+] ZINC000125051335 541450800 /nfs/dbraw/zinc/45/08/00/541450800.db2.gz CSVPTJQAYHKZMT-JTQLQIEISA-N 1 0 214.309 0.753 10 0 BCAERO NS(=O)(=O)c1ccc(OCCC[NH3+])cc1 ZINC000020267892 181384344 /nfs/dbraw/zinc/38/43/44/181384344.db2.gz NMLVAQWUXDXOKH-UHFFFAOYSA-N 1 0 230.289 0.062 10 0 BCAERO [NH3+]CCCc1nnnn1Cc1ccccc1 ZINC000062494703 181388065 /nfs/dbraw/zinc/38/80/65/181388065.db2.gz CWVHYMPUQJVPOC-UHFFFAOYSA-N 1 0 217.276 0.613 10 0 BCAERO [NH3+]CCCn1nnnc1-c1ccsc1 ZINC000042199350 181390323 /nfs/dbraw/zinc/39/03/23/181390323.db2.gz GKVMZRDOEIIUOA-UHFFFAOYSA-N 1 0 209.278 0.750 10 0 BCAERO Nc1cccc(CCC(=O)NCC[NH3+])c1 ZINC000167624938 181393030 /nfs/dbraw/zinc/39/30/30/181393030.db2.gz OMRPKIBLYNNPGG-UHFFFAOYSA-N 1 0 207.277 0.276 10 0 BCAERO [NH3+]CCN1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000037133165 181393434 /nfs/dbraw/zinc/39/34/34/181393434.db2.gz IGXOXJVEUVXEIN-WDEREUQCSA-N 1 0 233.315 0.226 10 0 BCAERO [NH3+]CCNC(=O)c1cccc2ncccc21 ZINC000061410350 181395463 /nfs/dbraw/zinc/39/54/63/181395463.db2.gz NQGUNXRQRYVENR-UHFFFAOYSA-N 1 0 215.256 0.923 10 0 BCAERO [NH3+]CCNC(=O)c1cnn(-c2ccccc2)c1 ZINC000020215990 181395537 /nfs/dbraw/zinc/39/55/37/181395537.db2.gz MDXHTLNOUIIERC-UHFFFAOYSA-N 1 0 230.271 0.561 10 0 BCAERO Nc1cc(C(=O)NCC[NH3+])ccc1Cl ZINC000040832332 181395828 /nfs/dbraw/zinc/39/58/28/181395828.db2.gz UADQDWPKKLSIRI-UHFFFAOYSA-N 1 0 213.668 0.611 10 0 BCAERO NC(=O)c1ccc(NCC[NH3+])c(Cl)c1 ZINC000062791303 181398470 /nfs/dbraw/zinc/39/84/70/181398470.db2.gz VDYIWGPCOFWHBQ-UHFFFAOYSA-N 1 0 213.668 0.810 10 0 BCAERO NC(=O)c1c(Cl)cccc1NCC[NH3+] ZINC000052905896 181398656 /nfs/dbraw/zinc/39/86/56/181398656.db2.gz HKUZDCLNBKIMCZ-UHFFFAOYSA-N 1 0 213.668 0.810 10 0 BCAERO [NH3+]CCOCCS(=O)(=O)c1cccs1 ZINC000057525752 181399065 /nfs/dbraw/zinc/39/90/65/181399065.db2.gz XDQHDORGSIDXMR-UHFFFAOYSA-N 1 0 235.330 0.497 10 0 BCAERO [NH3+]CCO[C@@H]1CCCN(C(F)(F)F)C1 ZINC000095077601 181399302 /nfs/dbraw/zinc/39/93/02/181399302.db2.gz KBJVZOMVVVRHKP-SSDOTTSWSA-N 1 0 212.215 0.946 10 0 BCAERO [NH3+]CCc1ccnc(Cc2cccnc2)n1 ZINC000054833518 181412801 /nfs/dbraw/zinc/41/28/01/181412801.db2.gz CYTHDKBZNDZADZ-UHFFFAOYSA-N 1 0 214.272 0.964 10 0 BCAERO Nc1cccc(-c2n[nH]c(CC[NH3+])n2)c1 ZINC000072236542 181413808 /nfs/dbraw/zinc/41/38/08/181413808.db2.gz UBQUNPQMUMVTIG-UHFFFAOYSA-N 1 0 203.249 0.555 10 0 BCAERO [NH3+]C[C@@H](C[C@@H]1CCOC1)C(=O)N1CCCC1 ZINC000051691150 181418820 /nfs/dbraw/zinc/41/88/20/181418820.db2.gz SGYWCAYDXHRWGW-WDEREUQCSA-N 1 0 226.320 0.610 10 0 BCAERO COC[C@@H](C)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000171541677 365212377 /nfs/dbraw/zinc/21/23/77/365212377.db2.gz JNWWBTYZFLQEEJ-ZJUUUORDSA-N 1 0 214.309 0.431 10 0 BCAERO C[NH2+]C[C@@H]1COCCN1C(=O)OC(C)(C)C ZINC000116626674 370809715 /nfs/dbraw/zinc/80/97/15/370809715.db2.gz PYMSTMUJCKYFJO-SECBINFHSA-N 1 0 230.308 0.842 10 0 BCAERO C[C@](O)(C[NH2+]CC1CC(O)C1)C(F)(F)F ZINC000379845743 365314332 /nfs/dbraw/zinc/31/43/32/365314332.db2.gz HUMYKEAASURYOQ-RRQHEKLDSA-N 1 0 227.226 0.660 10 0 BCAERO COC[C@H]([NH3+])C(=O)NC1C[C@@H](C)O[C@H](C)C1 ZINC000575806547 365369333 /nfs/dbraw/zinc/36/93/33/365369333.db2.gz YXLPPGRLSMSMIQ-MRTMQBJTSA-N 1 0 230.308 0.032 10 0 BCAERO C[NH+](C)[C@@H]1CCN(S(=O)(=O)C2CC2)C1 ZINC000173996472 365464180 /nfs/dbraw/zinc/46/41/80/365464180.db2.gz STHPPMZWOJPPEG-MRVPVSSYSA-N 1 0 218.322 0.115 10 0 BCAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NS(C)(=O)=O)C1 ZINC000174003105 365464218 /nfs/dbraw/zinc/46/42/18/365464218.db2.gz CXEQOMVECWEIGE-BDAKNGLRSA-N 1 0 220.338 0.264 10 0 BCAERO C[NH+](C)[C@H]1CCN(S(=O)(=O)C2CC2)C1 ZINC000173996482 365464987 /nfs/dbraw/zinc/46/49/87/365464987.db2.gz STHPPMZWOJPPEG-QMMMGPOBSA-N 1 0 218.322 0.115 10 0 BCAERO C[NH+](C)[C@@H]1CCN(C(=O)CC2(O)CCCC2)C1 ZINC000174584538 365498837 /nfs/dbraw/zinc/49/88/37/365498837.db2.gz CLUMYTGQYXGJAI-LLVKDONJSA-N 1 0 240.347 0.844 10 0 BCAERO CC1CCC(CN2CCOC[C@@H]2C(N)=O)CC1 ZINC000182632857 366924688 /nfs/dbraw/zinc/92/46/88/366924688.db2.gz JLXVZJPIPLKNDT-HTAVTVPLSA-N 1 0 240.347 0.999 10 0 BCAERO C[NH+](C)C1CN(c2ccc(C=O)nc2)C1 ZINC000675064868 541466903 /nfs/dbraw/zinc/46/69/03/541466903.db2.gz WKOXORPNOQDLFV-UHFFFAOYSA-N 1 0 205.261 0.644 10 0 BCAERO COCCNC(=O)NC[C@H]1CCCC[NH2+]C1 ZINC000685947513 541496801 /nfs/dbraw/zinc/49/68/01/541496801.db2.gz OVOJSYDHOLZZQN-JTQLQIEISA-N 1 0 229.324 0.322 10 0 BCAERO CC[C@@]1(NS(=O)(=O)CC)CCC[NH2+]C1 ZINC000685947530 541496918 /nfs/dbraw/zinc/49/69/18/541496918.db2.gz OYGGPKWXFPPFBL-SECBINFHSA-N 1 0 220.338 0.458 10 0 BCAERO CC[C@H]1[C@@H](C)CNc2nc(CC[NH3+])nn21 ZINC000234079110 541510863 /nfs/dbraw/zinc/51/08/63/541510863.db2.gz CGXRLCDXDIGMSJ-YUMQZZPRSA-N 1 0 209.297 0.792 10 0 BCAERO CCOC(=O)[C@H]1CNc2[nH+]c(C)cn2C1 ZINC000233692629 541509802 /nfs/dbraw/zinc/50/98/02/541509802.db2.gz UGMXDXJCAURLJX-QMMMGPOBSA-N 1 0 209.249 0.796 10 0 BCAERO CCOC(=O)[C@@H]1CNC2=[NH+][C@@H](C)CN2[C@@H]1C ZINC000233988683 541510115 /nfs/dbraw/zinc/51/01/15/541510115.db2.gz QFWFWBZXAXJHGP-DJLDLDEBSA-N 1 0 225.292 0.218 10 0 BCAERO C[C@H]1C[C@@H](NC(=O)[C@H]2CC[NH2+]C2)CCO1 ZINC000580771383 367161764 /nfs/dbraw/zinc/16/17/64/367161764.db2.gz DXLSTLIYCPLNQV-GUBZILKMSA-N 1 0 212.293 0.280 10 0 BCAERO CCc1nnc(CN2C[C@@H](C)[NH2+][C@@H](C)C2)n1C ZINC000580893006 367200532 /nfs/dbraw/zinc/20/05/32/367200532.db2.gz AZDSQOGRSUWPAC-AOOOYVTPSA-N 1 0 237.351 0.560 10 0 BCAERO COC(=O)c1cncc(N[C@@H](C)[C@H](C)[NH3+])n1 ZINC000381534015 367426420 /nfs/dbraw/zinc/42/64/20/367426420.db2.gz BJYPGLSGWPLMDF-BQBZGAKWSA-N 1 0 224.264 0.411 10 0 BCAERO C[C@@H]1C[C@@H]1C[N@@H+]1CC[C@@H]2OCCN[C@H]2C1 ZINC000381572146 367430873 /nfs/dbraw/zinc/43/08/73/367430873.db2.gz XUNDCHDTARYPPS-WYUUTHIRSA-N 1 0 210.321 0.705 10 0 BCAERO Cc1cc(N[C@H]2CC[C@@H](C[NH3+])C2)n2ncnc2n1 ZINC000382456521 367525885 /nfs/dbraw/zinc/52/58/85/367525885.db2.gz JTNCMMSAABTPMK-ZJUUUORDSA-N 1 0 246.318 0.972 10 0 BCAERO [NH3+]C[C@@H]1CC[C@H](Nc2ncnc3nc[nH]c32)C1 ZINC000382453992 367526880 /nfs/dbraw/zinc/52/68/80/367526880.db2.gz HRGASESULLXRFA-SFYZADRCSA-N 1 0 232.291 0.892 10 0 BCAERO NC(=O)c1cc(N[C@H]2CC[C@H](C[NH3+])C2)ccn1 ZINC000382478049 367529803 /nfs/dbraw/zinc/52/98/03/367529803.db2.gz KTTYQEJYIYNCMQ-IUCAKERBSA-N 1 0 234.303 0.142 10 0 BCAERO CN(C)c1nccc(C[NH2+][C@@H]2CC[C@H]2O)n1 ZINC000382270150 367502973 /nfs/dbraw/zinc/50/29/73/367502973.db2.gz YYWGTZQAVKQHMV-NXEZZACHSA-N 1 0 222.292 0.156 10 0 BCAERO CN(c1ncnc2c1CCC2)C1CC([NH3+])C1 ZINC000384985831 367770316 /nfs/dbraw/zinc/77/03/16/367770316.db2.gz ZRIPRNDYPLTSOQ-UHFFFAOYSA-N 1 0 218.304 0.891 10 0 BCAERO CC[C@H](C)NC(=O)C[N@@H+]1CCC[C@H](O)[C@H]1C ZINC000385010472 367772509 /nfs/dbraw/zinc/77/25/09/367772509.db2.gz NFRBVCWHJUIMMJ-AXFHLTTASA-N 1 0 228.336 0.746 10 0 BCAERO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CN(C)CCO2)[C@H](C)O1 ZINC000384685253 367716861 /nfs/dbraw/zinc/71/68/61/367716861.db2.gz BJFOTSUENLSQKS-KXNHARMFSA-N 1 0 228.336 0.473 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)N(C)C2(C[NH3+])CCC2)O1 ZINC000385363253 367822569 /nfs/dbraw/zinc/82/25/69/367822569.db2.gz POBXSYLCTCLSIF-NXEZZACHSA-N 1 0 226.320 0.894 10 0 BCAERO C[C@@H](NCC[C@H](C)O)[C@@H]1CCCC[NH2+]1 ZINC000386179589 367925857 /nfs/dbraw/zinc/92/58/57/367925857.db2.gz XXEOGSLNVWVZLA-AXFHLTTASA-N 1 0 200.326 0.878 10 0 BCAERO OC[C@H](N[C@H]1CC[NH2+]C1)C1CCCCC1 ZINC000386280561 367944557 /nfs/dbraw/zinc/94/45/57/367944557.db2.gz QWAHYABEWRMALP-RYUDHWBXSA-N 1 0 212.337 0.879 10 0 BCAERO OC[C@@H](N[C@H]1CC[NH2+]C1)C1CCCCC1 ZINC000386280560 367945049 /nfs/dbraw/zinc/94/50/49/367945049.db2.gz QWAHYABEWRMALP-NWDGAFQWSA-N 1 0 212.337 0.879 10 0 BCAERO C[C@H](NC[C@@H]1CN(C)CCO1)[C@H]1CCCC[NH2+]1 ZINC000386492995 367981471 /nfs/dbraw/zinc/98/14/71/367981471.db2.gz URLAFSQEUDZZST-YNEHKIRRSA-N 1 0 241.379 0.437 10 0 BCAERO Cc1cnc(N2CCN(C)C[C@H]2C[NH3+])nc1C ZINC000386665959 368007196 /nfs/dbraw/zinc/00/71/96/368007196.db2.gz NDRAYMIOMCHIKB-LLVKDONJSA-N 1 0 235.335 0.173 10 0 BCAERO C[C@H]1CC[C@@H](O)CN1Cc1ncnn1C ZINC000399322789 368158838 /nfs/dbraw/zinc/15/88/38/368158838.db2.gz JKXMWLNPYXSHEQ-DTWKUNHWSA-N 1 0 210.281 0.160 10 0 BCAERO CO[C@@]1(CN2CC[N@@H+]3CCC[C@H]3C2)CCOC1 ZINC000252835430 368161690 /nfs/dbraw/zinc/16/16/90/368161690.db2.gz USTIBXJQEFDSKG-QWHCGFSZSA-N 1 0 240.347 0.572 10 0 BCAERO CO[C@]1(CN2CC[N@@H+]3CCC[C@H]3C2)CCOC1 ZINC000252835431 368161720 /nfs/dbraw/zinc/16/17/20/368161720.db2.gz USTIBXJQEFDSKG-STQMWFEESA-N 1 0 240.347 0.572 10 0 BCAERO C[C@H](C[S@@](C)=O)N1CC[NH2+][C@H](C)CC1 ZINC000252950332 368170511 /nfs/dbraw/zinc/17/05/11/368170511.db2.gz OPDQXOUTJIWJFI-GPCCPHFNSA-N 1 0 218.366 0.437 10 0 BCAERO NNc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000225078956 368368400 /nfs/dbraw/zinc/36/84/00/368368400.db2.gz IWCOWSOWLSLUDK-UHFFFAOYSA-N 1 0 221.304 0.847 10 0 BCAERO O=C(NC(=O)c1ccccc1)NC1CC[NH2+]CC1 ZINC000039253634 368329222 /nfs/dbraw/zinc/32/92/22/368329222.db2.gz VDPTZNWSWWZWNC-UHFFFAOYSA-N 1 0 247.298 0.878 10 0 BCAERO C[NH+](C)Cc1cccnc1N1CC[NH2+]CC1 ZINC000142629052 368348463 /nfs/dbraw/zinc/34/84/63/368348463.db2.gz LIGDNKSJKFAUQU-UHFFFAOYSA-N 1 0 220.320 0.553 10 0 BCAERO CC(C)(C)OC(=O)CN1CCCC[C@H]([NH3+])C1=O ZINC000039121759 368376544 /nfs/dbraw/zinc/37/65/44/368376544.db2.gz MLOSYSBYXDSKHT-VIFPVBQESA-N 1 0 242.319 0.668 10 0 BCAERO C[C@@H]1C[C@H](C)[C@H](C)[N@@H+]([C@H](C[NH3+])C(=O)[O-])C1 ZINC000253100457 368482965 /nfs/dbraw/zinc/48/29/65/368482965.db2.gz QCIPQGLLCXMQQL-XFWSIPNHSA-N 1 0 214.309 0.765 10 0 BCAERO C[C@H](C(N)=S)[N@@H+]1CC[C@@H](O)[C@H](C)C1 ZINC000253178126 368594070 /nfs/dbraw/zinc/59/40/70/368594070.db2.gz HCMJLXHSOJCZON-BWZBUEFSSA-N 1 0 202.323 0.364 10 0 BCAERO COCC[C@H](C)NC(=O)[C@@]1(C)CCC[NH2+]1 ZINC000081713005 368615769 /nfs/dbraw/zinc/61/57/69/368615769.db2.gz HEPUDIVQWYLOLC-GXSJLCMTSA-N 1 0 214.309 0.670 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)NCCc1nccs1 ZINC000082560158 368694115 /nfs/dbraw/zinc/69/41/15/368694115.db2.gz FLBBUSQIIMAJES-RKDXNWHRSA-N 1 0 239.344 0.657 10 0 BCAERO COC(=O)[C@H]1CCN(C[C@@H]2CCC[N@@H+]2C)C1 ZINC000259649945 370927930 /nfs/dbraw/zinc/92/79/30/370927930.db2.gz BMUAOJWOYQOELZ-QWRGUYRKSA-N 1 0 226.320 0.576 10 0 BCAERO CS[C@@H]1CCC[C@H]1NC(=O)[C@@H](C)[NH3+] ZINC000225494139 370916268 /nfs/dbraw/zinc/91/62/68/370916268.db2.gz UAHMGAOXHBAYMX-BWZBUEFSSA-N 1 0 202.323 0.734 10 0 BCAERO C[NH2+]CCCN(C)C(=O)[C@@H]1CC[C@H](C)O1 ZINC000088140577 368905587 /nfs/dbraw/zinc/90/55/87/368905587.db2.gz ZVNPHFITSZUSSH-UWVGGRQHSA-N 1 0 214.309 0.622 10 0 BCAERO C[C@H]1C[N@H+](C)CC[C@H]1N1CC(=O)CC1=O ZINC000253310018 368921970 /nfs/dbraw/zinc/92/19/70/368921970.db2.gz TYEOSHVULILSMK-WCBMZHEXSA-N 1 0 210.277 0.128 10 0 BCAERO COCc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2O)o1 ZINC000623766215 368996307 /nfs/dbraw/zinc/99/63/07/368996307.db2.gz CATVWFVHVQKNOW-NEPJUHHUSA-N 1 0 241.287 0.665 10 0 BCAERO Cc1cnc(C[NH2+][C@H]2CCOC[C@H]2O)s1 ZINC000623766195 368996476 /nfs/dbraw/zinc/99/64/76/368996476.db2.gz BVJROYFHDLVGCR-DTWKUNHWSA-N 1 0 228.317 0.691 10 0 BCAERO CCn1nccc1C[NH2+][C@H]1CCOC[C@@H]1O ZINC000623766213 368996495 /nfs/dbraw/zinc/99/64/95/368996495.db2.gz BZXPAJSRPKYELM-QWRGUYRKSA-N 1 0 225.292 0.142 10 0 BCAERO [NH3+][C@H]1CC[C@@H](C(=O)NCCc2ccncc2)C1 ZINC000091548165 369014372 /nfs/dbraw/zinc/01/43/72/369014372.db2.gz YNXVGHAZNHQRGM-NEPJUHHUSA-N 1 0 233.315 0.868 10 0 BCAERO CO[C@H]1C[NH2+][C@@H](C(=O)Nc2cc(C)nn2C)C1 ZINC000309844090 326171289 /nfs/dbraw/zinc/17/12/89/326171289.db2.gz KWLMBYNPMGKUJK-RKDXNWHRSA-N 1 0 238.291 0.044 10 0 BCAERO C[C@@H](CO)[NH2+][C@@H]1C2CCN(CC2)C12CC2 ZINC000616578637 369094640 /nfs/dbraw/zinc/09/46/40/369094640.db2.gz PAMZZMWPSWLFCZ-GXSJLCMTSA-N 1 0 210.321 0.584 10 0 BCAERO [NH3+]C[C@H](Cc1ccco1)[C@@H]1CCS(=O)(=O)C1 ZINC000062102673 181445127 /nfs/dbraw/zinc/44/51/27/181445127.db2.gz FEKUKHNYXRLCRL-ZJUUUORDSA-N 1 0 243.328 0.832 10 0 BCAERO [NH3+]CCN1C[C@@H](CO)Nc2ccccc21 ZINC000616692677 369114456 /nfs/dbraw/zinc/11/44/56/369114456.db2.gz LJEJWFSWNIDOHR-VIFPVBQESA-N 1 0 207.277 0.238 10 0 BCAERO [NH3+]Cc1cc(S(=O)(=O)NC2CC2)ccc1F ZINC000020189062 181477997 /nfs/dbraw/zinc/47/79/97/181477997.db2.gz OMYBBBUCBIEDMC-UHFFFAOYSA-N 1 0 244.291 0.725 10 0 BCAERO COC[C@@H](C)C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000108328110 369388200 /nfs/dbraw/zinc/38/82/00/369388200.db2.gz KQHIUEQMMUHALB-MNOVXSKESA-N 1 0 228.336 0.727 10 0 BCAERO CCn1cncc1C[NH2+][C@@H]1CCOC[C@@H]1O ZINC000623767246 369375574 /nfs/dbraw/zinc/37/55/74/369375574.db2.gz SLIWYKPBKPDRMH-MNOVXSKESA-N 1 0 225.292 0.142 10 0 BCAERO CCCNC(=O)CN1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631843861 369376274 /nfs/dbraw/zinc/37/62/74/369376274.db2.gz SKLNEPIUVDZIPH-ZJUUUORDSA-N 1 0 213.325 0.039 10 0 BCAERO CCCNC(=O)CN1C[C@H](C)[C@H](C[NH3+])C1 ZINC000631843860 369376347 /nfs/dbraw/zinc/37/63/47/369376347.db2.gz SKLNEPIUVDZIPH-VHSXEESVSA-N 1 0 213.325 0.039 10 0 BCAERO CC(C)OCCN1CC[C@H]2OCC[NH2+][C@H]2C1 ZINC000404181855 369422660 /nfs/dbraw/zinc/42/26/60/369422660.db2.gz IDMPIDFSLWAGCF-NWDGAFQWSA-N 1 0 228.336 0.474 10 0 BCAERO Cc1cc(CN2CC[C@H]3OCC[NH2+][C@H]3C2)on1 ZINC000404181285 369422959 /nfs/dbraw/zinc/42/29/59/369422959.db2.gz IBBSMFXDMYVBLX-NWDGAFQWSA-N 1 0 237.303 0.546 10 0 BCAERO CC(C)n1nnnc1CN1C[C@@H]([NH3+])C[C@@H]1C ZINC000631862209 369486106 /nfs/dbraw/zinc/48/61/06/369486106.db2.gz NDXJHWCOEBOHDJ-IUCAKERBSA-N 1 0 224.312 0.176 10 0 BCAERO CCOC(=O)c1nc2ccccn2c1C[NH3+] ZINC000203879694 369490389 /nfs/dbraw/zinc/49/03/89/369490389.db2.gz GYBFDOUXSCIJNY-UHFFFAOYSA-N 1 0 219.244 0.970 10 0 BCAERO CCS(=O)(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]12 ZINC000225271774 369539236 /nfs/dbraw/zinc/53/92/36/369539236.db2.gz LFIISFBLUVVYPL-IUCAKERBSA-N 1 0 218.322 0.162 10 0 BCAERO CC(C)[C@@H]1CN(C(=O)[C@@H]2OCC[C@@H]2C)CC[NH2+]1 ZINC000621159904 370131361 /nfs/dbraw/zinc/13/13/61/370131361.db2.gz VCGIGVHSEJJWNH-SDDRHHMPSA-N 1 0 240.347 0.868 10 0 BCAERO COCC[N@H+](C)CCCNC(=O)N[C@H]1C[C@H]1C ZINC000076074247 370210748 /nfs/dbraw/zinc/21/07/48/370210748.db2.gz ABEBFKAWUCGWJA-MNOVXSKESA-N 1 0 243.351 0.662 10 0 BCAERO CO[C@H]1C[NH2+][C@@H](C(=O)Nc2ccc(F)cn2)C1 ZINC000309921568 370274641 /nfs/dbraw/zinc/27/46/41/370274641.db2.gz IGUBZMUBZZERJO-RKDXNWHRSA-N 1 0 239.250 0.536 10 0 BCAERO C[C@H]1CC[N@@H+]([C@@H]2CCC[C@H]2O)C[C@H]1CO ZINC000621373213 370311040 /nfs/dbraw/zinc/31/10/40/370311040.db2.gz FAQBAKIZAWMEAV-NNYUYHANSA-N 1 0 213.321 0.850 10 0 BCAERO O=C(N[C@@H]1c2ccccc2C[C@H]1O)[C@H]1CC[NH2+]C1 ZINC000310636638 370359913 /nfs/dbraw/zinc/35/99/13/370359913.db2.gz DDNDZBQSJVTGKO-CYZMBNFOSA-N 1 0 246.310 0.370 10 0 BCAERO COC[C@@H]([NH3+])C(=O)NCC1CC(C)C1 ZINC000621672673 370422947 /nfs/dbraw/zinc/42/29/47/370422947.db2.gz ORNBHLASLOEYOJ-AMDVSUOASA-N 1 0 200.282 0.122 10 0 BCAERO CC1CC(CNC(=O)[C@@H]2C[NH2+]CCOC2)C1 ZINC000621676333 370428136 /nfs/dbraw/zinc/42/81/36/370428136.db2.gz IJNVKYOOGCNFBS-VQXHTEKXSA-N 1 0 226.320 0.385 10 0 BCAERO COc1ccc(CN2CCO[C@@H]3C[NH2+]C[C@@H]32)cn1 ZINC000621776911 370525422 /nfs/dbraw/zinc/52/54/22/370525422.db2.gz ZPXLMUNCIADHKS-NWDGAFQWSA-N 1 0 249.314 0.263 10 0 BCAERO COC[C@@H]([NH3+])C(=O)NCCCC(C)(C)C ZINC000313469942 370589117 /nfs/dbraw/zinc/58/91/17/370589117.db2.gz MVWPNEUOXUWRPM-SECBINFHSA-N 1 0 216.325 0.903 10 0 BCAERO CN1CCO[C@@H](C[N@H+](C)CC(C)(C)O)C1 ZINC000082462818 370999482 /nfs/dbraw/zinc/99/94/82/370999482.db2.gz DDXYHLOGYMXPOH-SNVBAGLBSA-N 1 0 216.325 0.020 10 0 BCAERO COc1c(C[NH2+][C@@H]2C[C@H]2CO)c(C)nn1C ZINC000378711424 371016673 /nfs/dbraw/zinc/01/66/73/371016673.db2.gz UDRLDEWLBQZPHO-WCBMZHEXSA-N 1 0 225.292 0.208 10 0 BCAERO Oc1ccc2oc(N3CC[NH2+]CC3)nc2c1 ZINC000083009597 371061165 /nfs/dbraw/zinc/06/11/65/371061165.db2.gz KZHQCZFLMSXTFZ-UHFFFAOYSA-N 1 0 219.244 0.943 10 0 BCAERO CO[C@H]1C[C@H]([NH2+]Cc2cnn(C)c2C)C1 ZINC000623808241 371104035 /nfs/dbraw/zinc/10/40/35/371104035.db2.gz JDAQEIDKNQOONW-XYPYZODXSA-N 1 0 209.293 0.996 10 0 BCAERO N[C@@H](C(=O)OCc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000095079050 181537302 /nfs/dbraw/zinc/53/73/02/181537302.db2.gz JVSDVQDOVLBDSZ-NWDGAFQWSA-N 1 0 234.299 0.809 10 0 BCAERO COC(=O)c1ccc(N(C)C2C[NH2+]C2)nc1C ZINC000124447749 371191291 /nfs/dbraw/zinc/19/12/91/371191291.db2.gz VYDRPCOGACDPKR-UHFFFAOYSA-N 1 0 235.287 0.585 10 0 BCAERO [NH3+][C@@H]1CCC[C@@H]1C(=O)NC[C@@H](O)C(F)(F)F ZINC000226320526 181581691 /nfs/dbraw/zinc/58/16/91/181581691.db2.gz CHXUBPOAWFLDPQ-RRKCRQDMSA-N 1 0 240.225 0.153 10 0 BCAERO [NH3+][C@@H]1CCN(Cc2nnc(-c3ccco3)o2)C1 ZINC000050242789 181588035 /nfs/dbraw/zinc/58/80/35/181588035.db2.gz LBVWXBLSVXYUPN-MRVPVSSYSA-N 1 0 234.259 0.863 10 0 BCAERO [NH3+][C@@H]1C[C@@H]1NS(=O)(=O)c1cccs1 ZINC000036264822 181599255 /nfs/dbraw/zinc/59/92/55/181599255.db2.gz VTKUWGAJUWRRMH-RITPCOANSA-N 1 0 218.303 0.126 10 0 BCAERO [NH3+][C@H]1CCCCC[C@H]1NC(=O)[C@@H]1CCC(=O)N1 ZINC000063211611 181640380 /nfs/dbraw/zinc/64/03/80/181640380.db2.gz BTIKPFFSFAMORN-AEJSXWLSSA-N 1 0 239.319 0.041 10 0 BCAERO [NH3+][C@H]1CCN(Cc2ccc3c(c2)OCO3)C1 ZINC000031996544 181651690 /nfs/dbraw/zinc/65/16/90/181651690.db2.gz ISIRAXCAUITZIH-JTQLQIEISA-N 1 0 220.272 0.948 10 0 BCAERO CO[C@H](C)[C@H](C)[NH2+][C@H]1CCOC[C@@H]1O ZINC000624237102 371415145 /nfs/dbraw/zinc/41/51/45/371415145.db2.gz PLFWLYWUENQILD-JXUBOQSCSA-N 1 0 203.282 0.149 10 0 BCAERO C[C@H]([NH2+][C@H]1CCOC[C@@H]1O)c1cnn(C)c1 ZINC000624236829 371421556 /nfs/dbraw/zinc/42/15/56/371421556.db2.gz KNKMLVDLHHZFGP-LSJOCFKGSA-N 1 0 225.292 0.221 10 0 BCAERO CCN1CCC([NH2+][C@H]2CCOC[C@H]2O)CC1 ZINC000624234968 371421606 /nfs/dbraw/zinc/42/16/06/371421606.db2.gz AFMPWSIVBWDWCA-NWDGAFQWSA-N 1 0 228.336 0.210 10 0 BCAERO CCN1CCC([NH2+][C@H]2CCOC[C@@H]2O)CC1 ZINC000624234969 371422579 /nfs/dbraw/zinc/42/25/79/371422579.db2.gz AFMPWSIVBWDWCA-RYUDHWBXSA-N 1 0 228.336 0.210 10 0 BCAERO O[C@H]1COCC[C@@H]1[NH2+]C1CCSCC1 ZINC000624235871 371423645 /nfs/dbraw/zinc/42/36/45/371423645.db2.gz RDYALOUAKVTQPP-UWVGGRQHSA-N 1 0 217.334 0.621 10 0 BCAERO C[C@H]([NH2+][C@@H]1CCOC[C@@H]1O)c1ccncc1 ZINC000624237406 371425178 /nfs/dbraw/zinc/42/51/78/371425178.db2.gz WRNFSKMLYTVGMO-WCQGTBRESA-N 1 0 222.288 0.882 10 0 BCAERO CCN1C(=O)C[C@H]([NH3+])[C@@H]1c1nccs1 ZINC000161698234 371552765 /nfs/dbraw/zinc/55/27/65/371552765.db2.gz OZCNMHLRESYLPF-POYBYMJQSA-N 1 0 211.290 0.764 10 0 BCAERO O[C@@]1(C(F)(F)Br)CC[NH2+]C1 ZINC000225640311 371561810 /nfs/dbraw/zinc/56/18/10/371561810.db2.gz LYCRLRLMGSDMKF-BYPYZUCNSA-N 1 0 216.025 0.699 10 0 BCAERO Cn1ccc(CC(=O)[C@H]2CCC[C@@H]2[NH3+])n1 ZINC000226484054 371676268 /nfs/dbraw/zinc/67/62/68/371676268.db2.gz SFHMCEWLJNZJEI-UWVGGRQHSA-N 1 0 207.277 0.659 10 0 BCAERO Cn1ccc(CC(=O)[C@H]2CCC[C@H]2[NH3+])n1 ZINC000226484065 371676934 /nfs/dbraw/zinc/67/69/34/371676934.db2.gz SFHMCEWLJNZJEI-VHSXEESVSA-N 1 0 207.277 0.659 10 0 BCAERO Brc1cnn(CC2C[NH2+]C2)c1 ZINC000215836091 371642510 /nfs/dbraw/zinc/64/25/10/371642510.db2.gz NQMFSONZWAECEM-UHFFFAOYSA-N 1 0 216.082 0.865 10 0 BCAERO C[C@@H](O)C[NH+]1CCC(C)(C(N)=S)CC1 ZINC000226324776 371646356 /nfs/dbraw/zinc/64/63/56/371646356.db2.gz YWRIFKYIEGPTLT-MRVPVSSYSA-N 1 0 216.350 0.755 10 0 BCAERO C[NH+]1CCC(C)(CNC(N)=S)CC1 ZINC000226346725 371650720 /nfs/dbraw/zinc/65/07/20/371650720.db2.gz YQSYXHWXHGUUGB-UHFFFAOYSA-N 1 0 201.339 0.552 10 0 BCAERO C[C@H]1C[NH2+]C[C@@H]1C(=O)Cc1ccn(C)n1 ZINC000226375604 371656359 /nfs/dbraw/zinc/65/63/59/371656359.db2.gz SBIOLUAGXGMGFN-WPRPVWTQSA-N 1 0 207.277 0.387 10 0 BCAERO O=S(=O)(N[C@@H]1CC[NH2+]C1)C1CCCC1 ZINC000162532294 371708155 /nfs/dbraw/zinc/70/81/55/371708155.db2.gz QYDZJGTXUGSTGN-MRVPVSSYSA-N 1 0 218.322 0.210 10 0 BCAERO C[C@@H]1C[NH+](C[C@@H](O)C[NH3+])C[C@@H](C)S1 ZINC000226669224 371719663 /nfs/dbraw/zinc/71/96/63/371719663.db2.gz SEHDKMXCHCXOED-HLTSFMKQSA-N 1 0 204.339 0.132 10 0 BCAERO C[C@@H]1[NH2+]CC[C@H]1C(=O)Cc1ccn(C)n1 ZINC000226685875 371722793 /nfs/dbraw/zinc/72/27/93/371722793.db2.gz WNJGLTDVVILRQF-WCBMZHEXSA-N 1 0 207.277 0.530 10 0 BCAERO CC(C)[C@@H]([NH3+])CN1CCCCS1(=O)=O ZINC000162650382 371736818 /nfs/dbraw/zinc/73/68/18/371736818.db2.gz GPIIKDAHDKGAIR-VIFPVBQESA-N 1 0 220.338 0.395 10 0 BCAERO C[C@H]([NH3+])[C@H](N1CC[C@@H](O)C1)C(F)(F)F ZINC000227052284 371774946 /nfs/dbraw/zinc/77/49/46/371774946.db2.gz DDYBMVSYLMXAFL-XVMARJQXSA-N 1 0 212.215 0.331 10 0 BCAERO CCSCc1nc2c(c(=O)[nH]1)C[NH2+]C2 ZINC000132262693 371777688 /nfs/dbraw/zinc/77/76/88/371777688.db2.gz DUMLJPDUGGXVQC-UHFFFAOYSA-N 1 0 211.290 0.626 10 0 BCAERO CCC[C@@H](O)[C@@H]1CN(C)CCC[N@@H+]1C ZINC000132278709 371783448 /nfs/dbraw/zinc/78/34/48/371783448.db2.gz POLJTSHNDHCPAE-WDEREUQCSA-N 1 0 200.326 0.783 10 0 BCAERO C[C@@H](O)CNC(=O)[C@@]1(C)CCC[C@H]1[NH3+] ZINC000227318182 371829892 /nfs/dbraw/zinc/82/98/92/371829892.db2.gz QPLFHOJLYVBVDD-MRTMQBJTSA-N 1 0 200.282 0.001 10 0 BCAERO C[C@@H](O)CNC(=O)[C@@H]1CCCC[C@H]1[NH3+] ZINC000227318272 371830308 /nfs/dbraw/zinc/83/03/08/371830308.db2.gz FKPGJUNFZMTXHO-IWSPIJDZSA-N 1 0 200.282 0.001 10 0 BCAERO Brc1cnnn1C[C@@H]1CC[NH2+]C1 ZINC000216725373 371795362 /nfs/dbraw/zinc/79/53/62/371795362.db2.gz DDFRPTDJHZHMLL-ZCFIWIBFSA-N 1 0 231.097 0.650 10 0 BCAERO C[C@H](C(N)=S)[N@@H+]1C[C@@H](C)[C@H](N(C)C)C1 ZINC000227222824 371804971 /nfs/dbraw/zinc/80/49/71/371804971.db2.gz ACVVWLYSAMFYTF-IWSPIJDZSA-N 1 0 215.366 0.543 10 0 BCAERO C[C@H](O)C(C)(C)C[N@@H+]1CCC[C@@H](O)C1 ZINC000227293839 371826304 /nfs/dbraw/zinc/82/63/04/371826304.db2.gz CXGSEAMZFUUHSD-VHSXEESVSA-N 1 0 201.310 0.850 10 0 BCAERO [NH3+]CCCS(=O)(=O)COCc1ccccc1 ZINC000230092076 371844443 /nfs/dbraw/zinc/84/44/43/371844443.db2.gz WXSTUWPZGOOUNX-UHFFFAOYSA-N 1 0 243.328 0.924 10 0 BCAERO [NH3+]CC1CN(S(=O)(=O)C2CCCC2)C1 ZINC000163138183 371937530 /nfs/dbraw/zinc/93/75/30/371937530.db2.gz DVQBQMNBFCGWLE-UHFFFAOYSA-N 1 0 218.322 0.149 10 0 BCAERO C[C@@H](CO)Sc1cc(NN)[nH+]cn1 ZINC000162950604 371892729 /nfs/dbraw/zinc/89/27/29/371892729.db2.gz VMVPGHYKSQNPBW-YFKPBYRVSA-N 1 0 200.267 0.235 10 0 BCAERO COC(=O)c1cncc(N(C)CCC[NH3+])n1 ZINC000227750004 371929914 /nfs/dbraw/zinc/92/99/14/371929914.db2.gz CKBUOPVAEMPGNP-UHFFFAOYSA-N 1 0 224.264 0.048 10 0 BCAERO Cn1nnc(Br)c1[C@H]1C[C@H]1C[NH3+] ZINC000306387738 372015261 /nfs/dbraw/zinc/01/52/61/372015261.db2.gz ODOCXGDNRSDDIT-WHFBIAKZSA-N 1 0 231.097 0.640 10 0 BCAERO Cn1nnc(Br)c1[C@H]1C[C@@H]1C[NH3+] ZINC000306387737 372015894 /nfs/dbraw/zinc/01/58/94/372015894.db2.gz ODOCXGDNRSDDIT-UHNVWZDZSA-N 1 0 231.097 0.640 10 0 BCAERO C[N@@H+]1CCC[C@@]2(CC1)NC(=S)NC2=O ZINC000133279061 372017625 /nfs/dbraw/zinc/01/76/25/372017625.db2.gz ZHIKASOVNSXYKB-VIFPVBQESA-N 1 0 213.306 0.257 10 0 BCAERO O=C(NC[C@H]1CCSC1)[C@@H]1CCC[NH2+]1 ZINC000228569716 372049174 /nfs/dbraw/zinc/04/91/74/372049174.db2.gz BXWRTCBWTURNKT-BDAKNGLRSA-N 1 0 214.334 0.608 10 0 BCAERO C[NH2+][C@@H]1CCN(C[C@@H]2CCSC2)C1=O ZINC000228576700 372050982 /nfs/dbraw/zinc/05/09/82/372050982.db2.gz AWTURRFPNVSXLX-DTWKUNHWSA-N 1 0 214.334 0.560 10 0 BCAERO [NH3+][C@@H]1CCCN(C[C@@H]2CCSC2)C1=O ZINC000228613857 372056070 /nfs/dbraw/zinc/05/60/70/372056070.db2.gz PGVUIEHTOUFUEF-DTWKUNHWSA-N 1 0 214.334 0.689 10 0 BCAERO C[C@@]1(C(=O)N=S(C)(C)=O)CCC[NH2+]1 ZINC000306339069 372011947 /nfs/dbraw/zinc/01/19/47/372011947.db2.gz WSYRNJCAPKNFDI-QMMMGPOBSA-N 1 0 204.295 0.383 10 0 BCAERO CC(=O)c1cn(C[C@@H]2CCC[N@H+]2C)nn1 ZINC000306880977 372075283 /nfs/dbraw/zinc/07/52/83/372075283.db2.gz LFEYRPFCMUMVAE-VIFPVBQESA-N 1 0 208.265 0.575 10 0 BCAERO CC[S@](C)(=O)=NC(=O)[C@@H]1[NH2+]CC[C@@H]1C ZINC000306878605 372075300 /nfs/dbraw/zinc/07/53/00/372075300.db2.gz ITJOVROVVHLMOU-GIHMMQTOSA-N 1 0 218.322 0.629 10 0 BCAERO C=C(Cl)C(=O)N[C@H]1CCCN(C)C1 ZINC000306960051 372081884 /nfs/dbraw/zinc/08/18/84/372081884.db2.gz AXVZAPZEKVMMFI-QMMMGPOBSA-N 1 0 202.685 0.949 10 0 BCAERO O=C(C1=NO[C@@]2(CC[NH2+]C2)C1)N1CCCC1 ZINC000096268892 181859701 /nfs/dbraw/zinc/85/97/01/181859701.db2.gz YVYSBAVFEVTHKJ-NSHDSACASA-N 1 0 223.276 0.117 10 0 BCAERO C[C@@H]([NH3+])[C@@H](O)c1c(Br)cnn1C ZINC000307642161 372134718 /nfs/dbraw/zinc/13/47/18/372134718.db2.gz LCQWSHBSDLIXGO-CLZZGJSISA-N 1 0 234.097 0.563 10 0 BCAERO C[C@@H]1C[C@H](C)[C@@H](C)[N@@H+]([C@@H](CN)CO)C1 ZINC000229372632 372148089 /nfs/dbraw/zinc/14/80/89/372148089.db2.gz TUSXKCJBANABEX-YTWAJWBKSA-N 1 0 200.326 0.672 10 0 BCAERO [NH3+][C@]1(CCO)CCO[C@@H](C(F)(F)F)C1 ZINC000307609752 372130461 /nfs/dbraw/zinc/13/04/61/372130461.db2.gz DYYYRVNKWHCEQE-RNFRBKRXSA-N 1 0 213.199 0.808 10 0 BCAERO O=C(CC[C@H]1CCCC[NH2+]1)N1CC[C@@H](O)C1 ZINC000061712400 181926105 /nfs/dbraw/zinc/92/61/05/181926105.db2.gz OHLFGXUOYCLGHV-GHMZBOCLSA-N 1 0 226.320 0.502 10 0 BCAERO C[C@H]1CN(Cc2nnnn2C2CC2)C[C@H]1C[NH3+] ZINC000631841754 372639088 /nfs/dbraw/zinc/63/90/88/372639088.db2.gz PGHZMSXDDCVPMR-DTWKUNHWSA-N 1 0 236.323 0.035 10 0 BCAERO C[C@@H]1CN(CC(=O)N2CCCCC2)C[C@@H]1C[NH3+] ZINC000631843199 372641683 /nfs/dbraw/zinc/64/16/83/372641683.db2.gz KITHDGANFOFODR-NEPJUHHUSA-N 1 0 239.363 0.526 10 0 BCAERO C[C@H]1CN(S(=O)(=O)CCC2CC2)C[C@H]1C[NH3+] ZINC000631965885 372706763 /nfs/dbraw/zinc/70/67/63/372706763.db2.gz JKZSGHPRVPMSAK-GXSJLCMTSA-N 1 0 246.376 0.643 10 0 BCAERO O=C(CNC1CC[NH2+]CC1)c1ccco1 ZINC000095072762 181977061 /nfs/dbraw/zinc/97/70/61/181977061.db2.gz SIYAUGYDXSXOOO-UHFFFAOYSA-N 1 0 208.261 0.804 10 0 BCAERO O=C(CNC[C@H]1CCCC[NH2+]1)c1ccc[nH]1 ZINC000095072768 181977398 /nfs/dbraw/zinc/97/73/98/181977398.db2.gz OIWCHKFIARRHAT-SNVBAGLBSA-N 1 0 221.304 0.929 10 0 BCAERO O=C(CN[C@H]1CCC[NH2+]C1)c1ccco1 ZINC000095072747 181981765 /nfs/dbraw/zinc/98/17/65/181981765.db2.gz OOKKXQDSMUNWHU-VIFPVBQESA-N 1 0 208.261 0.804 10 0 BCAERO O=C(COC[C@@H]1CCC[NH2+]C1)N1CCCC1 ZINC000051815484 181998676 /nfs/dbraw/zinc/99/86/76/181998676.db2.gz ZRWBDIUXGCIVBC-LLVKDONJSA-N 1 0 226.320 0.625 10 0 BCAERO O=C(COCC1CC[NH2+]CC1)c1cnccn1 ZINC000095072909 181998828 /nfs/dbraw/zinc/99/88/28/181998828.db2.gz KUGDREBVHQGMPP-UHFFFAOYSA-N 1 0 235.287 0.676 10 0 BCAERO CC(C)(C)OC(=O)C1(O)CC[NH2+]CC1 ZINC000141061807 372852375 /nfs/dbraw/zinc/85/23/75/372852375.db2.gz AFQRYOKUTUUEJU-UHFFFAOYSA-N 1 0 201.266 0.443 10 0 BCAERO O=C(CO[C@H]1CCC[NH2+]C1)c1cnccn1 ZINC000095072837 182000413 /nfs/dbraw/zinc/00/04/13/182000413.db2.gz DJTJSUULDWQNKL-VIFPVBQESA-N 1 0 221.260 0.428 10 0 BCAERO O=C(CSCC(F)(F)F)N1CC[NH2+]CC1 ZINC000237708649 182007190 /nfs/dbraw/zinc/00/71/90/182007190.db2.gz YKRJUAKQAURDSE-UHFFFAOYSA-N 1 0 242.266 0.714 10 0 BCAERO O=C(C[C@@H]1CCCC[NH2+]1)N1CC[C@H](O)C1 ZINC000061712607 182016047 /nfs/dbraw/zinc/01/60/47/182016047.db2.gz KARDHRUDBOTLLW-UWVGGRQHSA-N 1 0 212.293 0.112 10 0 BCAERO O=C(C[C@@H]1CCCC[NH2+]1)NCCn1cccn1 ZINC000042542778 182016978 /nfs/dbraw/zinc/01/69/78/182016978.db2.gz GDOVSFGAADEQNB-NSHDSACASA-N 1 0 236.319 0.532 10 0 BCAERO O=C(CS[C@H]1CC[NH2+]C1)N1CCCC1 ZINC000095725442 182009527 /nfs/dbraw/zinc/00/95/27/182009527.db2.gz YNCUSQWLTCVQIN-VIFPVBQESA-N 1 0 214.334 0.704 10 0 BCAERO O=C(C[C@@H]1CCC[NH2+]1)N[C@@H]1CCCOC1 ZINC000071023518 182017623 /nfs/dbraw/zinc/01/76/23/182017623.db2.gz SBTMYBSINVKSHY-VHSXEESVSA-N 1 0 212.293 0.424 10 0 BCAERO O=C(C[C@@H]1CCC[NH2+]1)N1CCC[C@@H](CO)C1 ZINC000042166273 182017820 /nfs/dbraw/zinc/01/78/20/182017820.db2.gz XHQBPKQBHDYHAZ-MNOVXSKESA-N 1 0 226.320 0.359 10 0 BCAERO O=C(C[C@@H]1CCC[NH2+]1)NCc1cn[nH]c1 ZINC000042170326 182017957 /nfs/dbraw/zinc/01/79/57/182017957.db2.gz DMBXAPQHEUDJOX-VIFPVBQESA-N 1 0 208.265 0.168 10 0 BCAERO O=C(C[C@@H]1CCC[NH2+]1)OC1CCOCC1 ZINC000042164278 182018005 /nfs/dbraw/zinc/01/80/05/182018005.db2.gz SXYTUPBTQPSHGL-VIFPVBQESA-N 1 0 213.277 0.851 10 0 BCAERO O=C(C[C@H]1CCC[NH2+]1)N1CCCC[C@@H]1CO ZINC000042166195 182027461 /nfs/dbraw/zinc/02/74/61/182027461.db2.gz CBBCAXSLXAZOIF-GHMZBOCLSA-N 1 0 226.320 0.502 10 0 BCAERO O=C(C[C@H]1CCCC[NH2+]1)NCCn1cccn1 ZINC000042542780 182027511 /nfs/dbraw/zinc/02/75/11/182027511.db2.gz GDOVSFGAADEQNB-LLVKDONJSA-N 1 0 236.319 0.532 10 0 BCAERO O=C(C[C@H]1CCC[NH2+]1)NC[C@@H]1CCOC1 ZINC000042168111 182028350 /nfs/dbraw/zinc/02/83/50/182028350.db2.gz SVATXPFHKWINFW-VHSXEESVSA-N 1 0 212.293 0.281 10 0 BCAERO O=C(C[C@H]1CCC[NH2+]1)OC1CCOCC1 ZINC000042164277 182028390 /nfs/dbraw/zinc/02/83/90/182028390.db2.gz SXYTUPBTQPSHGL-SECBINFHSA-N 1 0 213.277 0.851 10 0 BCAERO O=C(C[C@H]1CCC[NH2+]1)N[C@@H]1CCCOC1 ZINC000071023516 182028492 /nfs/dbraw/zinc/02/84/92/182028492.db2.gz SBTMYBSINVKSHY-NXEZZACHSA-N 1 0 212.293 0.424 10 0 BCAERO O=C(C[C@H]1CCC[NH2+]C1)Nc1ncccn1 ZINC000054305717 182028528 /nfs/dbraw/zinc/02/85/28/182028528.db2.gz OSYGGPCYYFXGHI-SECBINFHSA-N 1 0 220.276 0.805 10 0 BCAERO O=C(C[C@H]1CC[NH2+]C1)Nc1ncccc1O ZINC000128615477 182029556 /nfs/dbraw/zinc/02/95/56/182029556.db2.gz QHTQCGKIGWMXKA-MRVPVSSYSA-N 1 0 221.260 0.725 10 0 BCAERO O=C(NC1CC1)C1=NO[C@@]2(C1)CCC[NH2+]C2 ZINC000096268876 182094300 /nfs/dbraw/zinc/09/43/00/182094300.db2.gz CGYBFKGPNGJQCQ-LLVKDONJSA-N 1 0 223.276 0.164 10 0 BCAERO O=C(NC1(CO)CCCCC1)[C@H]1CCCC[NH2+]1 ZINC000053127164 182090222 /nfs/dbraw/zinc/09/02/22/182090222.db2.gz DFTRDTSFJIZGJR-LLVKDONJSA-N 1 0 240.347 0.940 10 0 BCAERO O=C(NC1(CO)CCCC1)C1CC[NH2+]CC1 ZINC000053072004 182091117 /nfs/dbraw/zinc/09/11/17/182091117.db2.gz DGAWRYYAXBOMGK-UHFFFAOYSA-N 1 0 226.320 0.407 10 0 BCAERO CC[N@@H+]1CCC[C@H](NC2CC[NH2+]CC2)C1 ZINC000040503011 373360845 /nfs/dbraw/zinc/36/08/45/373360845.db2.gz HOOCJUHZYZCCOD-LBPRGKRZSA-N 1 0 211.353 0.812 10 0 BCAERO Cc1nc(C)c([C@H](C)NC(=O)C[NH3+])s1 ZINC000040519031 373420801 /nfs/dbraw/zinc/42/08/01/373420801.db2.gz XCCGREBYNRGCQE-LURJTMIESA-N 1 0 213.306 0.896 10 0 BCAERO C[C@H]1CCCCC[N@@H+]1C[C@](C)(N)C(N)=O ZINC000069549404 373454727 /nfs/dbraw/zinc/45/47/27/373454727.db2.gz JVYVLPLANROSDZ-ONGXEEELSA-N 1 0 213.325 0.454 10 0 BCAERO O=C(NCC1CC[NH2+]CC1)c1ccc(=O)[nH]c1 ZINC000044503500 182147672 /nfs/dbraw/zinc/14/76/72/182147672.db2.gz VOSLDJNJBPOWBK-UHFFFAOYSA-N 1 0 235.287 0.104 10 0 BCAERO COCCC(=O)N1CC[C@@H](C)[C@H]([NH3+])C1 ZINC000069718689 373646105 /nfs/dbraw/zinc/64/61/05/373646105.db2.gz IBGYUTMSSYAWKY-RKDXNWHRSA-N 1 0 200.282 0.219 10 0 BCAERO COCCC(=O)N1CC[C@H](C)[C@H]([NH3+])C1 ZINC000069718691 373646428 /nfs/dbraw/zinc/64/64/28/373646428.db2.gz IBGYUTMSSYAWKY-DTWKUNHWSA-N 1 0 200.282 0.219 10 0 BCAERO C[C@@H]1CCC[C@@H](CN)[N@@H+]1CC(C)(C)O ZINC000069722912 373652310 /nfs/dbraw/zinc/65/23/10/373652310.db2.gz ODRGMKGGYRTEKX-ZJUUUORDSA-N 1 0 200.326 0.959 10 0 BCAERO O=C(NCC[C@@H]1CCCO1)[C@H]1CCCC[NH2+]1 ZINC000038096856 182198891 /nfs/dbraw/zinc/19/88/91/182198891.db2.gz PTCLVFVRCORLMP-WDEREUQCSA-N 1 0 226.320 0.814 10 0 BCAERO [NH3+][C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1CCOC1 ZINC000040930259 373933679 /nfs/dbraw/zinc/93/36/79/373933679.db2.gz MSWLTMBFMLVJBA-BBBLOLIVSA-N 1 0 212.293 0.409 10 0 BCAERO O=C(NCCc1ccco1)[C@@H]1CC[NH2+]C1 ZINC000062112817 182207769 /nfs/dbraw/zinc/20/77/69/182207769.db2.gz OJZIGFBQHFAASK-SECBINFHSA-N 1 0 208.261 0.548 10 0 BCAERO O=C(NCCc1ccco1)[C@H]1CC[NH2+]C1 ZINC000062112818 182208085 /nfs/dbraw/zinc/20/80/85/182208085.db2.gz OJZIGFBQHFAASK-VIFPVBQESA-N 1 0 208.261 0.548 10 0 BCAERO O=C(NC[C@@H]1Cc2ccccc2O1)[C@H]1CCC[NH2+]1 ZINC000037985620 182231033 /nfs/dbraw/zinc/23/10/33/182231033.db2.gz XORDXWCGIHXROC-NWDGAFQWSA-N 1 0 246.310 0.858 10 0 BCAERO O=C([C@@H]1CCSC1)N1CC[NH2+]CC1 ZINC000070435102 374142541 /nfs/dbraw/zinc/14/25/41/374142541.db2.gz KDVCXIDFPJVPLQ-MRVPVSSYSA-N 1 0 200.307 0.171 10 0 BCAERO O=C(NC[C@H]1CCOC1)C1CC[NH2+]CC1 ZINC000037739055 182242338 /nfs/dbraw/zinc/24/23/38/182242338.db2.gz JDNCOUGYBNCCEC-SECBINFHSA-N 1 0 212.293 0.139 10 0 BCAERO CC(C)[C@@H]1CC[C@@H](S(N)(=O)=O)C[NH2+]1 ZINC000070632482 374168089 /nfs/dbraw/zinc/16/80/89/374168089.db2.gz CVWAGSZXUORAHX-SFYZADRCSA-N 1 0 206.311 0.052 10 0 BCAERO O=C(NC[C@H]1CCC[NH2+]1)c1cccc(O)c1 ZINC000053254091 182237978 /nfs/dbraw/zinc/23/79/78/182237978.db2.gz PXHYGGJXCCOXRV-SNVBAGLBSA-N 1 0 220.272 0.874 10 0 BCAERO O=C(NCc1cccc(F)c1)NC1C[NH2+]C1 ZINC000258845564 182253832 /nfs/dbraw/zinc/25/38/32/182253832.db2.gz ZQQSMYLRGBZHBZ-UHFFFAOYSA-N 1 0 223.251 0.597 10 0 BCAERO CNS(=O)(=O)c1ccc(F)c(C[NH3+])c1 ZINC000070849064 374204722 /nfs/dbraw/zinc/20/47/22/374204722.db2.gz MZKMMPARNXUNSE-UHFFFAOYSA-N 1 0 218.253 0.193 10 0 BCAERO [NH3+][C@@H]1CCCCN1S(=O)(=O)C1CC1 ZINC000070909185 374228060 /nfs/dbraw/zinc/22/80/60/374228060.db2.gz OMFSCRLMKCDRFR-QMMMGPOBSA-N 1 0 204.295 0.249 10 0 BCAERO Cc1nnc(SC2CC[NH2+]CC2)n1C ZINC000071110090 374248540 /nfs/dbraw/zinc/24/85/40/374248540.db2.gz IEVQFTGGLRTXFY-UHFFFAOYSA-N 1 0 212.322 0.968 10 0 BCAERO O=C(NCc1nc[nH]n1)[C@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000037920047 182271710 /nfs/dbraw/zinc/27/17/10/182271710.db2.gz WGWVQIIEBSKYAB-KXUCPTDWSA-N 1 0 249.318 0.342 10 0 BCAERO O=C(N[C@@H]1CCCOC1)[C@H]1CCC[NH2+]C1 ZINC000071023612 182294808 /nfs/dbraw/zinc/29/48/08/182294808.db2.gz AABQEDQVMKMIQG-VHSXEESVSA-N 1 0 212.293 0.281 10 0 BCAERO O=C(N[C@@H]1CC[NH2+]C1)c1ccc2c[nH]nc2c1 ZINC000061669917 182303739 /nfs/dbraw/zinc/30/37/39/182303739.db2.gz UXDJZNQZGPBIGQ-SNVBAGLBSA-N 1 0 230.271 0.655 10 0 BCAERO O=C(N[C@H]1CCC[NH2+]C1)c1ccc(O)cc1 ZINC000019404021 182329830 /nfs/dbraw/zinc/32/98/30/182329830.db2.gz YDFUHPIKLYTQNG-JTQLQIEISA-N 1 0 220.272 0.874 10 0 BCAERO O=C(N[C@H]1CCCOC1)[C@H]1CC12CC[NH2+]CC2 ZINC000070256762 182330791 /nfs/dbraw/zinc/33/07/91/182330791.db2.gz MBYNNXJBZZTTEH-WDEREUQCSA-N 1 0 238.331 0.671 10 0 BCAERO O=C(N[C@H]1CC[NH2+]C1)c1cccc(O)c1 ZINC000036286939 182335744 /nfs/dbraw/zinc/33/57/44/182335744.db2.gz TWSIWPJXJWPCRT-VIFPVBQESA-N 1 0 206.245 0.484 10 0 BCAERO O=C(Nc1ccccc1CO)[C@@H]1CCC[NH2+]1 ZINC000037040640 182378580 /nfs/dbraw/zinc/37/85/80/182378580.db2.gz KFQWAPRUVVAEQO-NSHDSACASA-N 1 0 220.272 0.869 10 0 BCAERO O=C(Nc1cccc(F)c1F)[C@@H]1C[NH2+]CCN1 ZINC000062812920 182371068 /nfs/dbraw/zinc/37/10/68/182371068.db2.gz YVQRKLKATDENMI-VIFPVBQESA-N 1 0 241.241 0.465 10 0 BCAERO O=C(Nc1cccc2n[nH]cc21)[C@H]1C[C@H](O)C[NH2+]1 ZINC000037769583 182373986 /nfs/dbraw/zinc/37/39/86/182373986.db2.gz HTIPBRBRWLVXFQ-WRWORJQWSA-N 1 0 246.270 0.224 10 0 BCAERO CS(=O)(=O)[C@@H]1CCC[N@@H+]([C@@H]2CCC[C@H]2O)C1 ZINC000381985939 487528232 /nfs/dbraw/zinc/52/82/32/487528232.db2.gz GOPVGIKGYPFRCR-GMTAPVOTSA-N 1 0 247.360 0.409 10 0 BCAERO O=C1NCCCC[C@H]1[NH2+]CC[C@H]1CCCO1 ZINC000038097329 182800083 /nfs/dbraw/zinc/80/00/83/182800083.db2.gz FJKNMGNAYBNSLP-GHMZBOCLSA-N 1 0 226.320 0.814 10 0 BCAERO O=C1[C@@H]2CCCC[C@H]2C(=O)N1[C@@H]1CCC[NH2+]C1 ZINC000100661535 182838983 /nfs/dbraw/zinc/83/89/83/182838983.db2.gz YTFLVOIUUIIYMU-GMTAPVOTSA-N 1 0 236.315 0.914 10 0 BCAERO O=S(=O)(CC[C@H]1CCCC[NH2+]1)N1CCCC1 ZINC000037661946 182889125 /nfs/dbraw/zinc/88/91/25/182889125.db2.gz SAYMQBOVSXVGHP-LLVKDONJSA-N 1 0 246.376 0.944 10 0 BCAERO O=S(=O)(C[C@H]1CCCC[NH2+]1)c1ncccn1 ZINC000095073150 182890417 /nfs/dbraw/zinc/89/04/17/182890417.db2.gz VYMOJNVBJNOQDH-SECBINFHSA-N 1 0 241.316 0.392 10 0 BCAERO CC(C)(C)NC(=O)C[NH2+][C@H]1CCCC[C@@H]1O ZINC000052012989 166615851 /nfs/dbraw/zinc/61/58/51/166615851.db2.gz DROASMLBOUHTEW-UWVGGRQHSA-N 1 0 228.336 0.794 10 0 BCAERO O=S1(=O)CCC([NH2+][C@@H]2CCCC[C@@H]2O)CC1 ZINC000037691554 182907228 /nfs/dbraw/zinc/90/72/28/182907228.db2.gz JILWUEUQFAVHEX-MNOVXSKESA-N 1 0 247.360 0.457 10 0 BCAERO O=S1(=O)CCC([NH2+]CC2CC2)CC1 ZINC000035652083 182907901 /nfs/dbraw/zinc/90/79/01/182907901.db2.gz TUTMGBVBEXVBMH-UHFFFAOYSA-N 1 0 203.307 0.563 10 0 BCAERO O=S1(=O)CCCN1CC[C@@H]1CCC[NH2+]C1 ZINC000037717508 182909092 /nfs/dbraw/zinc/90/90/92/182909092.db2.gz PCJAFRCKKWBUQG-JTQLQIEISA-N 1 0 232.349 0.412 10 0 BCAERO O=S1(=O)CC[C@H](OCC[C@@H]2CCC[NH2+]C2)C1 ZINC000051918079 182913446 /nfs/dbraw/zinc/91/34/46/182913446.db2.gz ANFTVRUDIHRTGR-QWRGUYRKSA-N 1 0 247.360 0.580 10 0 BCAERO O=[S@@](C[C@H]1CCC[NH2+]1)c1ncc(F)cn1 ZINC000095072004 182963099 /nfs/dbraw/zinc/96/30/99/182963099.db2.gz TZERVOJFQPKUJG-ANRSDYALSA-N 1 0 229.280 0.475 10 0 BCAERO O=[S@](CC1CC[NH2+]CC1)c1ncccn1 ZINC000095073717 182966221 /nfs/dbraw/zinc/96/62/21/182966221.db2.gz HXSXUTAQHWANCT-HNNXBMFYSA-N 1 0 225.317 0.584 10 0 BCAERO O=c1[nH]ncc(NC[C@@H]2CCC[NH2+]C2)c1Cl ZINC000073736196 182983121 /nfs/dbraw/zinc/98/31/21/182983121.db2.gz MDFHZDYLIVPXQO-SSDOTTSWSA-N 1 0 242.710 0.835 10 0 BCAERO O=c1cccnn1CC[C@H]1CCCC[NH2+]1 ZINC000061403341 183003580 /nfs/dbraw/zinc/00/35/80/183003580.db2.gz MYUWQTGYYSBART-SNVBAGLBSA-N 1 0 207.277 0.776 10 0 BCAERO O=c1ccn(CCC[C@@H]2CCC[NH2+]2)c(=O)[nH]1 ZINC000052764842 183004124 /nfs/dbraw/zinc/00/41/24/183004124.db2.gz JRJLMHLUKUILBP-VIFPVBQESA-N 1 0 223.276 0.069 10 0 BCAERO CC(C)(C)NC(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000036287726 166621326 /nfs/dbraw/zinc/62/13/26/166621326.db2.gz MDYIQEXLPDAUQG-QMMMGPOBSA-N 1 0 215.297 0.073 10 0 BCAERO O=c1ncccn1CCC[C@@H]1CCC[NH2+]1 ZINC000052764806 183012216 /nfs/dbraw/zinc/01/22/16/183012216.db2.gz QRHYYNLSVJIBHT-JTQLQIEISA-N 1 0 207.277 0.776 10 0 BCAERO COC[C@@H](C)C(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000179073225 134314578 /nfs/dbraw/zinc/31/45/78/134314578.db2.gz BYIFCFFCKGARRA-BDAKNGLRSA-N 1 0 200.282 0.089 10 0 BCAERO OCCCC[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000105919302 183048981 /nfs/dbraw/zinc/04/89/81/183048981.db2.gz OAJHKKKSOFNSQZ-GFCCVEGCSA-N 1 0 238.335 0.763 10 0 BCAERO OCC1(NCc2cccs2)CC[NH2+]CC1 ZINC000040695554 183038096 /nfs/dbraw/zinc/03/80/96/183038096.db2.gz NBRXYOZEGJMQKN-UHFFFAOYSA-N 1 0 226.345 0.952 10 0 BCAERO OCCCC[N@@H+]1CCO[C@@H](Cn2cccn2)C1 ZINC000105920578 183051373 /nfs/dbraw/zinc/05/13/73/183051373.db2.gz GGYORTPHNWXQIP-GFCCVEGCSA-N 1 0 239.319 0.356 10 0 BCAERO OCCCC[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000105919304 183050076 /nfs/dbraw/zinc/05/00/76/183050076.db2.gz OAJHKKKSOFNSQZ-LBPRGKRZSA-N 1 0 238.335 0.763 10 0 BCAERO OCCOCC[NH2+]C[C@H]1C[C@H]2C=C[C@@H]1C2 ZINC000035014804 183084694 /nfs/dbraw/zinc/08/46/94/183084694.db2.gz ZJRJELHVLYKDMF-QJPTWQEYSA-N 1 0 211.305 0.797 10 0 BCAERO OC[C@@H]([C@@H]1CC=CCC1)[NH+]1CCNCC1 ZINC000038120916 183114051 /nfs/dbraw/zinc/11/40/51/183114051.db2.gz SKZVSHGDBLAYMK-NEPJUHHUSA-N 1 0 210.321 0.609 10 0 BCAERO OC[C@@H](c1ccccc1)N1CC[NH2+]CC1 ZINC000038120738 183114565 /nfs/dbraw/zinc/11/45/65/183114565.db2.gz CPPBQCJPEHLWEK-LBPRGKRZSA-N 1 0 206.289 0.625 10 0 BCAERO CCCC[C@H]([NH3+])C(=O)N(CC(N)=O)C(C)C ZINC000037480697 169006200 /nfs/dbraw/zinc/00/62/00/169006200.db2.gz IHNOKLOIJBXLAE-VIFPVBQESA-N 1 0 229.324 0.226 10 0 BCAERO CCCC[C@H]([NH3+])C(=O)N1CCCOCC1 ZINC000061920607 169006512 /nfs/dbraw/zinc/00/65/12/169006512.db2.gz NNIQPGLBNDGUDG-JTQLQIEISA-N 1 0 214.309 0.753 10 0 BCAERO CCCC[C@H]([NH3+])[C@@H]1CCS(=O)(=O)C1 ZINC000043300139 169009229 /nfs/dbraw/zinc/00/92/29/169009229.db2.gz SEFRXAWKSIOEOE-BDAKNGLRSA-N 1 0 205.323 0.939 10 0 BCAERO CCCC[C@H]([NH2+]CCN(C)C)C(N)=O ZINC000041053302 169011399 /nfs/dbraw/zinc/01/13/99/169011399.db2.gz IDSCFMLEEPSDQV-VIFPVBQESA-N 1 0 201.314 0.182 10 0 BCAERO OC[C@@H](C1CCCCC1)[NH+]1CCNCC1 ZINC000038120764 183102531 /nfs/dbraw/zinc/10/25/31/183102531.db2.gz VFFRXKKEGKCHFO-LBPRGKRZSA-N 1 0 212.337 0.833 10 0 BCAERO OC[C@@H](O)C[NH2+][C@H]1CCOc2ccccc21 ZINC000051986784 183110556 /nfs/dbraw/zinc/11/05/56/183110556.db2.gz XRFVINHMQWHVMG-ONGXEEELSA-N 1 0 223.272 0.453 10 0 BCAERO OC[C@@H](O)C[NH2+][C@H]1CCc2ccccc21 ZINC000037855570 183110571 /nfs/dbraw/zinc/11/05/71/183110571.db2.gz VFKGNQYTVBJNBI-JQWIXIFHSA-N 1 0 207.273 0.617 10 0 BCAERO OC[C@@H](O)C[NH2+]CCc1c[nH]c2ccccc12 ZINC000049826633 183110628 /nfs/dbraw/zinc/11/06/28/183110628.db2.gz UOEJRSCPXFPMLY-NSHDSACASA-N 1 0 234.299 0.653 10 0 BCAERO OC[C@H](O)C[NH2+][C@@H]1CCc2ccccc2C1 ZINC000077570538 183143895 /nfs/dbraw/zinc/14/38/95/183143895.db2.gz OQSDINOIKUKBFG-CHWSQXEVSA-N 1 0 221.300 0.487 10 0 BCAERO OC[C@H]([NH2+]C[C@H]1COCCO1)c1ccccc1 ZINC000353351998 183141484 /nfs/dbraw/zinc/14/14/84/183141484.db2.gz VUHDGOCDHXVJDE-STQMWFEESA-N 1 0 237.299 0.725 10 0 BCAERO OC[C@H](O)C[NH2+]Cc1ccc(O)c(Cl)c1 ZINC000083358388 183143027 /nfs/dbraw/zinc/14/30/27/183143027.db2.gz QNMYGZJCUHCWCN-MRVPVSSYSA-N 1 0 231.679 0.488 10 0 BCAERO OC[C@@H]1CN(CC(F)(F)F)CCC[NH2+]1 ZINC000062570519 183125710 /nfs/dbraw/zinc/12/57/10/183125710.db2.gz UULKDRXNORKQBN-ZETCQYMHSA-N 1 0 212.215 0.205 10 0 BCAERO OC[C@@H]1C[NH2+]CCCN1CC(F)(F)F ZINC000062570518 183127708 /nfs/dbraw/zinc/12/77/08/183127708.db2.gz ASHAMWRJVIECKD-ZETCQYMHSA-N 1 0 212.215 0.205 10 0 BCAERO CCCCn1nc(C(N)=O)c2c1CC[NH2+]C2 ZINC000083428526 169037941 /nfs/dbraw/zinc/03/79/41/169037941.db2.gz VDDNRMLKRHLJBW-UHFFFAOYSA-N 1 0 222.292 0.428 10 0 BCAERO OC[C@H]1C[N@H+](CC2(O)CCC2)CCC1(F)F ZINC000361408115 183155773 /nfs/dbraw/zinc/15/57/73/183155773.db2.gz LIQLNMRYLHYXNV-SECBINFHSA-N 1 0 235.274 0.851 10 0 BCAERO OC[C@]1(N2CC[NH2+]CC2)CCCSC1 ZINC000061590894 183158922 /nfs/dbraw/zinc/15/89/22/183158922.db2.gz ZKIVWEYSBSUBHE-SNVBAGLBSA-N 1 0 216.350 0.150 10 0 BCAERO O[C@@H](CNCc1cocn1)C[NH+]1CCCCC1 ZINC000192294608 183180671 /nfs/dbraw/zinc/18/06/71/183180671.db2.gz YBUWJQKJWYEXOK-LBPRGKRZSA-N 1 0 239.319 0.611 10 0 BCAERO O[C@@H](CCNC1=[NH+]CCN1)c1ccccc1 ZINC000141523561 183174652 /nfs/dbraw/zinc/17/46/52/183174652.db2.gz HSYXITMUNLJCOL-NSHDSACASA-N 1 0 219.288 0.659 10 0 BCAERO CCO[C@H]1COCC[C@@H]1[NH2+]CC(C)(C)O ZINC000336748949 170506342 /nfs/dbraw/zinc/50/63/42/170506342.db2.gz DEANSCKNUNTWGI-UWVGGRQHSA-N 1 0 217.309 0.541 10 0 BCAERO O[C@@H]1CCC[C@@H]([NH2+]Cc2cncnc2)C1 ZINC000054767864 183195869 /nfs/dbraw/zinc/19/58/69/183195869.db2.gz FQIVXENBLKVOBO-GHMZBOCLSA-N 1 0 207.277 0.870 10 0 BCAERO CCCN(CC(=O)OC)C(=O)[C@H]([NH3+])[C@@H](C)CC ZINC000037813056 169099975 /nfs/dbraw/zinc/09/99/75/169099975.db2.gz PYLGFUGZCZYJKR-GXSJLCMTSA-N 1 0 244.335 0.771 10 0 BCAERO CCCN(CC(=O)OC)C(=O)[C@H]([NH3+])[C@H](C)CC ZINC000037813058 169100332 /nfs/dbraw/zinc/10/03/32/169100332.db2.gz PYLGFUGZCZYJKR-MWLCHTKSSA-N 1 0 244.335 0.771 10 0 BCAERO CCCN(CC(=O)OC)C(=O)C(C)(C)[NH2+]CC ZINC000061295400 169100513 /nfs/dbraw/zinc/10/05/13/169100513.db2.gz AKJBZLNVBFLTQG-UHFFFAOYSA-N 1 0 244.335 0.786 10 0 BCAERO O[C@H](CN1CCOCC1)C[N@@H+]1C[C@@H]2CCC[C@@H]21 ZINC000336708761 183221277 /nfs/dbraw/zinc/22/12/77/183221277.db2.gz JDKHOFXQNQHSSY-XQQFMLRXSA-N 1 0 240.347 0.164 10 0 BCAERO O[C@H](CN1CCOCC1)C[N@@H+]1C[C@H]2CCC[C@@H]21 ZINC000336708759 183221529 /nfs/dbraw/zinc/22/15/29/183221529.db2.gz JDKHOFXQNQHSSY-UPJWGTAASA-N 1 0 240.347 0.164 10 0 BCAERO O[C@H](CNCc1ncc[nH]1)C[NH+]1CCCCC1 ZINC000171378842 183225251 /nfs/dbraw/zinc/22/52/51/183225251.db2.gz RMHDKPPLVAQGQT-LLVKDONJSA-N 1 0 238.335 0.346 10 0 BCAERO O[C@@H]1COC[C@@H]1[NH2+]CCc1ccsc1 ZINC000049180569 183210083 /nfs/dbraw/zinc/21/00/83/183210083.db2.gz JJOADLHWLXOPPC-VHSXEESVSA-N 1 0 213.302 0.640 10 0 BCAERO O[C@@H]1COC[C@H]1[NH2+]C[C@@H]1Cc2ccccc2O1 ZINC000216425124 183210147 /nfs/dbraw/zinc/21/01/47/183210147.db2.gz GYGLCPPSSYUFIN-QJPTWQEYSA-N 1 0 235.283 0.339 10 0 BCAERO CCC[N@@H+](CC(=O)N(C)C)C[C@@H](C)C(=O)OC ZINC000042423174 169092557 /nfs/dbraw/zinc/09/25/57/169092557.db2.gz MJOOHTANWMBRMY-SNVBAGLBSA-N 1 0 244.335 0.596 10 0 BCAERO CCCN(CC(=O)N(C)CC)C1CC[NH2+]CC1 ZINC000037538928 169093066 /nfs/dbraw/zinc/09/30/66/169093066.db2.gz SSYGGCPOEUZGLZ-UHFFFAOYSA-N 1 0 241.379 0.929 10 0 BCAERO O[C@H]1CC[NH2+]C[C@@H]1CCc1ccccn1 ZINC000076640652 183241125 /nfs/dbraw/zinc/24/11/25/183241125.db2.gz BVMHALCUWWTHSP-JQWIXIFHSA-N 1 0 206.289 0.985 10 0 BCAERO O[C@H]1COC[C@H]1[NH2+]CCc1ccccc1F ZINC000037877386 183246899 /nfs/dbraw/zinc/24/68/99/183246899.db2.gz XVIJXNUUQCDMPP-NEPJUHHUSA-N 1 0 225.263 0.718 10 0 BCAERO O=c1cc(CN[C@@H]2CCC[NH2+]C2)nc[nH]1 ZINC000045956802 183256590 /nfs/dbraw/zinc/25/65/90/183256590.db2.gz RYGXLDVFCBPKKV-MRVPVSSYSA-N 1 0 208.265 0.024 10 0 BCAERO CCCN(CC[NH+](C)C)C(=O)CC(N)=S ZINC000041680994 169155713 /nfs/dbraw/zinc/15/57/13/169155713.db2.gz FJRRVFLFVUMSEP-UHFFFAOYSA-N 1 0 231.365 0.463 10 0 BCAERO CCCN(CC[NH2+]C)c1cc(C)nc2ncnn21 ZINC000053707402 169159148 /nfs/dbraw/zinc/15/91/48/169159148.db2.gz FRHHVDXAVMFCHJ-UHFFFAOYSA-N 1 0 248.334 0.869 10 0 BCAERO CCC[NH+]1CCN([C@]2(C[NH3+])CCSC2)CC1 ZINC000019504363 169205206 /nfs/dbraw/zinc/20/52/06/169205206.db2.gz QVEZROHXLOOGQZ-LBPRGKRZSA-N 1 0 243.420 0.848 10 0 BCAERO CCCN1C(=O)CC[C@@H]([NH3+])[C@@H]1c1cncn1C ZINC000090166876 169183146 /nfs/dbraw/zinc/18/31/46/169183146.db2.gz KYQPKRFMRALAID-BXKDBHETSA-N 1 0 236.319 0.821 10 0 BCAERO CCCN1C(=O)C[C@@H]([NH2+]C[C@H](C)N(C)C)C1=O ZINC000103119213 169184904 /nfs/dbraw/zinc/18/49/04/169184904.db2.gz FNRAZHNBKGQYAO-VHSXEESVSA-N 1 0 241.335 0.064 10 0 BCAERO CCC[NH+]1CCC(N[C@@H](C)C(=O)NC)CC1 ZINC000042220970 169189640 /nfs/dbraw/zinc/18/96/40/169189640.db2.gz LQJVYDFHWNPIEA-JTQLQIEISA-N 1 0 227.352 0.585 10 0 BCAERO CCC[NH+]1CCC(N[C@H]2COC[C@@H]2O)CC1 ZINC000049555233 169189771 /nfs/dbraw/zinc/18/97/71/169189771.db2.gz SBSWIGYTPUZREA-RYUDHWBXSA-N 1 0 228.336 0.210 10 0 BCAERO c1cc(-c2noc(CN3CC[NH2+]CC3)n2)ccn1 ZINC000045893452 183332694 /nfs/dbraw/zinc/33/26/94/183332694.db2.gz UVJXKVOMQSHNJC-UHFFFAOYSA-N 1 0 245.286 0.537 10 0 BCAERO CCCN1CCN(C(=O)[C@@H]([NH3+])[C@H](C)CC)CC1 ZINC000019518825 169201269 /nfs/dbraw/zinc/20/12/69/169201269.db2.gz KEXPMSKVUMWCHA-NEPJUHHUSA-N 1 0 241.379 0.914 10 0 BCAERO CCCN1CCN(C(=O)[C@@H]([NH3+])[C@@H](C)CC)CC1 ZINC000019518823 169201967 /nfs/dbraw/zinc/20/19/67/169201967.db2.gz KEXPMSKVUMWCHA-RYUDHWBXSA-N 1 0 241.379 0.914 10 0 BCAERO S=C(NCc1ccccc1)N1CC[NH2+]CC1 ZINC000071546480 183311774 /nfs/dbraw/zinc/31/17/74/183311774.db2.gz MDVPMHHDOGSHSM-UHFFFAOYSA-N 1 0 235.356 0.966 10 0 BCAERO CCC[N@@H+]1CCO[C@H](Cn2cccn2)C1 ZINC000105890111 169205065 /nfs/dbraw/zinc/20/50/65/169205065.db2.gz WCEKZDHMKWWRRF-NSHDSACASA-N 1 0 209.293 0.994 10 0 BCAERO CCCNC(=O)CNC(=O)C[C@@H]1CCCC[NH2+]1 ZINC000036781291 169223571 /nfs/dbraw/zinc/22/35/71/169223571.db2.gz IKTOLKKWYGXLKB-JTQLQIEISA-N 1 0 241.335 0.161 10 0 BCAERO CCCNC(=O)C[NH2+]C[C@H]1CCC=CO1 ZINC000050267953 169226320 /nfs/dbraw/zinc/22/63/20/169226320.db2.gz JKLZLMYTQFOJQA-SNVBAGLBSA-N 1 0 212.293 0.795 10 0 BCAERO CCCNC(=O)C[NH2+][C@@H](C)C(=O)N(CC)CC ZINC000035207113 169227063 /nfs/dbraw/zinc/22/70/63/169227063.db2.gz VKUKDVNDZPEIAN-JTQLQIEISA-N 1 0 243.351 0.359 10 0 BCAERO CCCNC(=O)C[NH2+][C@@H](C)C(=O)NC(C)(C)C ZINC000035148407 169227675 /nfs/dbraw/zinc/22/76/75/169227675.db2.gz MGUQIGWSAVFKMQ-VIFPVBQESA-N 1 0 243.351 0.405 10 0 BCAERO CCCNC(=O)C[NH2+][C@H]1CN2CCC1CC2 ZINC000020070805 169228614 /nfs/dbraw/zinc/22/86/14/169228614.db2.gz NUDRZVLGBWEIKP-NSHDSACASA-N 1 0 225.336 0.196 10 0 BCAERO CCCNC(=O)CN[C@H](C)[C@H]1CCC[N@H+](C)C1 ZINC000036780839 169229499 /nfs/dbraw/zinc/22/94/99/169229499.db2.gz YQVRNGPBLDZVFF-NEPJUHHUSA-N 1 0 241.379 0.833 10 0 BCAERO CCCNC(=O)CCN1CCC[NH2+]CC1 ZINC000064875970 169216085 /nfs/dbraw/zinc/21/60/85/169216085.db2.gz ZVYWJRFUEZWXTD-UHFFFAOYSA-N 1 0 213.325 0.198 10 0 BCAERO CCCNC(=O)CC[NH2+][C@H]1CN2CCC1CC2 ZINC000045072465 169218029 /nfs/dbraw/zinc/21/80/29/169218029.db2.gz VQLJXAWMTNWTGN-LBPRGKRZSA-N 1 0 239.363 0.587 10 0 BCAERO CCCNC(=S)N[C@@H]1C[NH+]2CCC1CC2 ZINC000135779724 169254646 /nfs/dbraw/zinc/25/46/46/169254646.db2.gz NRNSXRNOJROQHK-SNVBAGLBSA-N 1 0 227.377 0.955 10 0 BCAERO CCC[NH2+]CCOc1nc(OC)nc(OC)n1 ZINC000061452689 169260415 /nfs/dbraw/zinc/26/04/15/169260415.db2.gz WPKJNFSIFVEPAU-UHFFFAOYSA-N 1 0 242.279 0.267 10 0 BCAERO CCC[NH2+]CCNc1ncnc2nc[nH]c21 ZINC000052345191 169260510 /nfs/dbraw/zinc/26/05/10/169260510.db2.gz KQAPUVMYAHELDI-UHFFFAOYSA-N 1 0 220.280 0.764 10 0 BCAERO CCC[NH2+]C[C@@H]1CCN(Cc2nncn2C)C1 ZINC000053034732 169262026 /nfs/dbraw/zinc/26/20/26/169262026.db2.gz SDRJPMSBUBMCMR-NSHDSACASA-N 1 0 237.351 0.637 10 0 BCAERO CCCNC(=O)[C@@H](C)N(CC)C1CC[NH2+]CC1 ZINC000037538788 169241037 /nfs/dbraw/zinc/24/10/37/169241037.db2.gz FTPBSOMBXVQQED-LLVKDONJSA-N 1 0 241.379 0.975 10 0 BCAERO CCCNC(=O)[C@@H](C)[NH2+]C[C@@H](O)COC(C)C ZINC000049203314 169242285 /nfs/dbraw/zinc/24/22/85/169242285.db2.gz HRVQLCWQFGAHSP-GHMZBOCLSA-N 1 0 246.351 0.277 10 0 BCAERO CCCNC(=O)[C@@H](C)NC(=O)[C@H](C)C[NH2+]CC ZINC000061231365 169242322 /nfs/dbraw/zinc/24/23/22/169242322.db2.gz YERHZTJUAKYRIL-NXEZZACHSA-N 1 0 243.351 0.263 10 0 BCAERO CCCNC(=O)[C@H](C)[NH2+][C@@H]1CCN2CCC[C@H]12 ZINC000049568008 169247231 /nfs/dbraw/zinc/24/72/31/169247231.db2.gz DQQKLVCNEZFQLY-QJPTWQEYSA-N 1 0 239.363 0.727 10 0 BCAERO CCCNC(=O)[C@H](C)[NH2+][C@H](C)COC ZINC000034937691 169247439 /nfs/dbraw/zinc/24/74/39/169247439.db2.gz JREWFMLGVHCSTN-BDAKNGLRSA-N 1 0 202.298 0.526 10 0 BCAERO CCC[NH2+][C@H](C)Cn1nc2ccccn2c1=O ZINC000043996902 169285776 /nfs/dbraw/zinc/28/57/76/169285776.db2.gz BQDRKLWNGSQORW-SNVBAGLBSA-N 1 0 234.303 0.884 10 0 BCAERO c1ccc(CN2CC3(C2)COCC[NH2+]3)cc1 ZINC000083302800 183397485 /nfs/dbraw/zinc/39/74/85/183397485.db2.gz XIZGDQCEHNWOSR-UHFFFAOYSA-N 1 0 218.300 0.861 10 0 BCAERO c1ccc(CN2CCN3CC[NH2+]C[C@@H]3C2)cc1 ZINC000059042361 183398176 /nfs/dbraw/zinc/39/81/76/183398176.db2.gz BDJDGOJLRMBDOS-CQSZACIVSA-N 1 0 231.343 0.776 10 0 BCAERO CCC[NH2+][C@@H](C)CN1C(=O)C[C@@H](C)C1=O ZINC000104080652 169274209 /nfs/dbraw/zinc/27/42/09/169274209.db2.gz CRTYWIOTDBPNQW-BDAKNGLRSA-N 1 0 212.293 0.770 10 0 BCAERO CCC[NH2+][C@@H](C)[C@@H]1CCCCN1CC(=O)NC ZINC000104409207 169276212 /nfs/dbraw/zinc/27/62/12/169276212.db2.gz DFJFDPJJJDHTSM-RYUDHWBXSA-N 1 0 241.379 0.975 10 0 BCAERO CCC[NH2+][C@@H](CCOC[C@@H]1CCOC1)C(N)=O ZINC000062542026 169278225 /nfs/dbraw/zinc/27/82/25/169278225.db2.gz XIPNWIISYTXFNY-MNOVXSKESA-N 1 0 244.335 0.283 10 0 BCAERO CCCN[C@@H](CC[N@@H+]1CCC[C@H](C)C1)C(N)=O ZINC000062441048 169278481 /nfs/dbraw/zinc/27/84/81/169278481.db2.gz KJDFSHDODFFPSP-RYUDHWBXSA-N 1 0 241.379 0.962 10 0 BCAERO CCC[NH2+][C@@H](CCn1nc(C)nc1C)C(N)=O ZINC000062536945 169279217 /nfs/dbraw/zinc/27/92/17/169279217.db2.gz PBUVDXZYGKYTHD-JTQLQIEISA-N 1 0 239.323 0.139 10 0 BCAERO CCC[NH2+][C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000049648187 169282802 /nfs/dbraw/zinc/28/28/02/169282802.db2.gz PPRJGPNAKDLNGI-SNVBAGLBSA-N 1 0 222.292 0.525 10 0 BCAERO CCCO[C@@H]1CCCN(C[C@H](O)C[NH2+]CC)C1 ZINC000042421752 169311854 /nfs/dbraw/zinc/31/18/54/169311854.db2.gz KBIMVBKAHNCXFV-CHWSQXEVSA-N 1 0 244.379 0.848 10 0 BCAERO CCC[NH2+][C@H]1CCN(C2CCOCC2)C1=O ZINC000049648252 169292003 /nfs/dbraw/zinc/29/20/03/169292003.db2.gz HYCBKFGUJVNHDS-NSHDSACASA-N 1 0 226.320 0.766 10 0 BCAERO CCCS(=O)(=O)N1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000051359205 169331059 /nfs/dbraw/zinc/33/10/59/169331059.db2.gz JOXXHGHBPHWYTM-QWRGUYRKSA-N 1 0 246.376 0.943 10 0 BCAERO CCCS(=O)(=O)N[C@H]1CCCC[C@H]1[NH3+] ZINC000038050028 169333051 /nfs/dbraw/zinc/33/30/51/169333051.db2.gz MFGIJQKRYVIDRK-BDAKNGLRSA-N 1 0 220.338 0.586 10 0 BCAERO CCCS(=O)(=O)N[C@H]1CCCC[C@@H]1[NH3+] ZINC000038050026 169333433 /nfs/dbraw/zinc/33/34/33/169333433.db2.gz MFGIJQKRYVIDRK-IUCAKERBSA-N 1 0 220.338 0.586 10 0 BCAERO CCC[C@@H](C)NC(=O)CN(C)C[C@H]([NH3+])COC ZINC000104317125 169367721 /nfs/dbraw/zinc/36/77/21/169367721.db2.gz UCUHQECHFWKFMZ-MNOVXSKESA-N 1 0 245.367 0.197 10 0 BCAERO CCC[C@@H](C)NC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C)C1 ZINC000042547184 169368244 /nfs/dbraw/zinc/36/82/44/169368244.db2.gz DUTUVFRJWXMDSE-IJLUTSLNSA-N 1 0 241.379 0.973 10 0 BCAERO CCC[C@@H](C)NC(=O)[C@H](C)[NH2+]CCNC(C)=O ZINC000035206963 169368281 /nfs/dbraw/zinc/36/82/81/169368281.db2.gz WHUZUNFVZAKIOM-ZJUUUORDSA-N 1 0 243.351 0.405 10 0 BCAERO CCC[C@@H](C)NC(=O)[C@@H](C)[NH2+]CCOCCO ZINC000052684382 169368320 /nfs/dbraw/zinc/36/83/20/169368320.db2.gz IKCVXGIUWHSJGB-GHMZBOCLSA-N 1 0 246.351 0.278 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)N1CCC[C@H](CC(N)=O)C1 ZINC000236906779 169387651 /nfs/dbraw/zinc/38/76/51/169387651.db2.gz DDCIEWLXXWWDAL-NXEZZACHSA-N 1 0 241.335 0.228 10 0 BCAERO CCC[C@@H](CCO)CNC(=O)[C@@H]1CCC[NH2+]C1 ZINC000227473067 169381868 /nfs/dbraw/zinc/38/18/68/169381868.db2.gz YNOUEJCTTUCQDX-NWDGAFQWSA-N 1 0 242.363 0.901 10 0 BCAERO CCC[C@@H](CCO)CNC(=O)[C@@H]([NH3+])C(C)C ZINC000226680914 169382026 /nfs/dbraw/zinc/38/20/26/169382026.db2.gz IHHPEWMJXJPIFS-QWRGUYRKSA-N 1 0 230.352 0.885 10 0 BCAERO CCC[C@@H](C[NH3+])C(=O)N1CCCO[C@@H](C)C1 ZINC000061918799 169383047 /nfs/dbraw/zinc/38/30/47/169383047.db2.gz BRWMTJJEGVNTGB-QWRGUYRKSA-N 1 0 228.336 0.999 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)N(C)C[C@H]1CCCO1 ZINC000042465880 169386556 /nfs/dbraw/zinc/38/65/56/169386556.db2.gz SQLNGZIBPCXHLB-NXEZZACHSA-N 1 0 214.309 0.751 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)N(C)CC(=O)NC(C)(C)C ZINC000037801636 169386571 /nfs/dbraw/zinc/38/65/71/169386571.db2.gz ZPLIOBKSIRPRNQ-SECBINFHSA-N 1 0 243.351 0.487 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)NC[C@@H](C)C(=O)OC(C)C ZINC000236951903 169389463 /nfs/dbraw/zinc/38/94/63/169389463.db2.gz NCCZJNKVXXTWGX-NXEZZACHSA-N 1 0 244.335 0.818 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)NC[C@@H](O)C1CC1 ZINC000070890535 169388990 /nfs/dbraw/zinc/38/89/90/169388990.db2.gz IFINCSXTARHJMS-RKDXNWHRSA-N 1 0 200.282 0.001 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)NCCNC(=O)C(C)C ZINC000040806714 169389266 /nfs/dbraw/zinc/38/92/66/169389266.db2.gz CARYAGVHSSIGQH-SECBINFHSA-N 1 0 229.324 0.002 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)NCCCN1CCCC1=O ZINC000236942968 169389333 /nfs/dbraw/zinc/38/93/33/169389333.db2.gz FWGCPJYCKAYCLI-SNVBAGLBSA-N 1 0 241.335 0.243 10 0 BCAERO CCO[C@@H]1C[C@@H]1C(=O)N(C)[C@@H](C)C[NH3+] ZINC000179204167 134318525 /nfs/dbraw/zinc/31/85/25/134318525.db2.gz LZAHXKMKIZOQNI-XHNCKOQMSA-N 1 0 200.282 0.217 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)N[C@H](C)c1cn[nH]c1 ZINC000226696825 169391809 /nfs/dbraw/zinc/39/18/09/169391809.db2.gz IRYNOHCWDHASQC-VXNVDRBHSA-N 1 0 210.281 0.714 10 0 BCAERO CCC[C@@H]([NH3+])c1noc([C@@H]2COCCO2)n1 ZINC000055305564 169395362 /nfs/dbraw/zinc/39/53/62/169395362.db2.gz XOMLRBFLICECEB-SFYZADRCSA-N 1 0 227.264 0.957 10 0 BCAERO Cc1oncc1CN1C[C@@H](F)C[C@@H]1C[NH3+] ZINC000396423649 259599024 /nfs/dbraw/zinc/59/90/24/259599024.db2.gz KHZJHHNOADECNC-VHSXEESVSA-N 1 0 213.256 0.854 10 0 BCAERO CC[C@@H](C)[C@H]([NH3+])C(=O)N1CCC[C@@H]1C(=O)OC ZINC000037804234 170793855 /nfs/dbraw/zinc/79/38/55/170793855.db2.gz BASVVINIBFXIGN-BBBLOLIVSA-N 1 0 242.319 0.524 10 0 BCAERO CCOC(=O)CCCNC(=O)[C@H]1CCC[C@H]1[NH3+] ZINC000085376459 134344267 /nfs/dbraw/zinc/34/42/67/134344267.db2.gz TYKFSJBJWUSSKH-VHSXEESVSA-N 1 0 242.319 0.573 10 0 BCAERO CC(C)(C)OC(=O)N1CC[C@H]([NH3+])C2(COC2)C1 ZINC000096987317 166653860 /nfs/dbraw/zinc/65/38/60/166653860.db2.gz XWPIZEHCIHXTAX-VIFPVBQESA-N 1 0 242.319 0.971 10 0 BCAERO COC[C@@H](O)C[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000182473957 134344877 /nfs/dbraw/zinc/34/48/77/134344877.db2.gz CZDBBDVPAFMYLK-AGIUHOORSA-N 1 0 243.347 0.621 10 0 BCAERO CCC[C@H]1C[C@H]1NC(=O)C[NH2+]CCOC ZINC000226379707 169537059 /nfs/dbraw/zinc/53/70/59/169537059.db2.gz JKDMPRFABFGIII-VHSXEESVSA-N 1 0 214.309 0.527 10 0 BCAERO CCN(C(=O)[C@@H]1CCOC1)C1CC[NH2+]CC1 ZINC000040930235 169649838 /nfs/dbraw/zinc/64/98/38/169649838.db2.gz CZSNTVMYWZAJEP-SNVBAGLBSA-N 1 0 226.320 0.623 10 0 BCAERO Cc1nccc(C[NH2+]C[C@@]2(O)CCO[C@H]2C)n1 ZINC000227126801 134376288 /nfs/dbraw/zinc/37/62/88/134376288.db2.gz IOUCGAXUZBAFLI-CABZTGNLSA-N 1 0 237.303 0.415 10 0 BCAERO CNC(=O)N1C[C@@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000227384730 134379138 /nfs/dbraw/zinc/37/91/38/134379138.db2.gz GFMFGBLSASGOPB-UWVGGRQHSA-N 1 0 211.309 0.884 10 0 BCAERO Cc1nn(C)c(C)c1[C@@H]1[C@H]([NH3+])CC(=O)N1C ZINC000069797965 383844657 /nfs/dbraw/zinc/84/46/57/383844657.db2.gz JSRKDMFDGDISFS-KCJUWKMLSA-N 1 0 222.292 0.267 10 0 BCAERO CN1CC(=O)N(c2ccc(C[NH3+])cc2)C1=O ZINC000087665588 383858042 /nfs/dbraw/zinc/85/80/42/383858042.db2.gz NFNNIHDNLPGMNM-UHFFFAOYSA-N 1 0 219.244 0.544 10 0 BCAERO C[C@@H]1CCN(C(=O)[C@H]2C[NH2+]CCOC2)[C@@H]1C ZINC000643731753 383859118 /nfs/dbraw/zinc/85/91/18/383859118.db2.gz XSEDLRALCYDADK-MXWKQRLJSA-N 1 0 226.320 0.479 10 0 BCAERO C[NH2+][C@H]1CCC2(C[C@@H]1N(C)C)OCCO2 ZINC000043815909 383866604 /nfs/dbraw/zinc/86/66/04/383866604.db2.gz VVVLYOVSAAKPCH-UWVGGRQHSA-N 1 0 214.309 0.432 10 0 BCAERO CS(=O)(=O)c1ccccc1N[C@H]1CC[NH2+]C1 ZINC000052093827 383866780 /nfs/dbraw/zinc/86/67/80/383866780.db2.gz VQZHACWQJKABIU-VIFPVBQESA-N 1 0 240.328 0.864 10 0 BCAERO C[NH2+][C@H]1CCC2(C[C@H]1N(C)C)OCCO2 ZINC000043815912 383866921 /nfs/dbraw/zinc/86/69/21/383866921.db2.gz VVVLYOVSAAKPCH-VHSXEESVSA-N 1 0 214.309 0.432 10 0 BCAERO COc1cccnc1N(C)CCOCC[NH3+] ZINC000301048897 383876855 /nfs/dbraw/zinc/87/68/55/383876855.db2.gz QZPYLRAPRCMRLZ-UHFFFAOYSA-N 1 0 225.292 0.502 10 0 BCAERO Cc1cc(C)nc(N(C)CCOCC[NH3+])n1 ZINC000301048488 383877603 /nfs/dbraw/zinc/87/76/03/383877603.db2.gz QOCTVBPAVRUUGF-UHFFFAOYSA-N 1 0 224.308 0.505 10 0 BCAERO CCCC1(CNC(=O)[C@H]2C[NH2+]CCOC2)CC1 ZINC000643737769 383924313 /nfs/dbraw/zinc/92/43/13/383924313.db2.gz OYPXJXNKYFIUPX-NSHDSACASA-N 1 0 240.347 0.919 10 0 BCAERO CN(C)c1cccc(CNC(=O)[C@H]2CCC[NH2+]2)n1 ZINC000237104179 383889266 /nfs/dbraw/zinc/88/92/66/383889266.db2.gz ZCTKTCFBUVHXFD-LLVKDONJSA-N 1 0 248.330 0.516 10 0 BCAERO C[NH+](C)C[C@H](O)COc1ccccc1N ZINC000036670076 383903278 /nfs/dbraw/zinc/90/32/78/383903278.db2.gz FHXZQDADHSMNBE-VIFPVBQESA-N 1 0 210.277 0.570 10 0 BCAERO CC[C@H]([NH3+])CNc1nnnn1-c1ccccc1 ZINC000113452072 383986464 /nfs/dbraw/zinc/98/64/64/383986464.db2.gz BUXKDPWAWJUZGH-VIFPVBQESA-N 1 0 232.291 0.812 10 0 BCAERO CN(C(=O)[C@H]1C[NH2+]CCOC1)c1ccccc1 ZINC000643614157 383994802 /nfs/dbraw/zinc/99/48/02/383994802.db2.gz LMHHVEFGSFNIMP-NSHDSACASA-N 1 0 234.299 0.885 10 0 BCAERO O=C(Nc1ccccc1)[C@@H]1C[NH2+]CCOC1 ZINC000643613999 383994869 /nfs/dbraw/zinc/99/48/69/383994869.db2.gz IHEFHXCWFZCFPD-SNVBAGLBSA-N 1 0 220.272 0.861 10 0 BCAERO COC[C@@]1(C(=O)NC[C@@H]2CCCO2)CCC[NH2+]1 ZINC000643614303 383995206 /nfs/dbraw/zinc/99/52/06/383995206.db2.gz QYLWJCOTMVHZDK-CMPLNLGQSA-N 1 0 242.319 0.050 10 0 BCAERO C[C@H](O)C1CC[NH+](C[C@@H]2CNC(=O)O2)CC1 ZINC000229644409 259642520 /nfs/dbraw/zinc/64/25/20/259642520.db2.gz SGKMKMQCEYJZQH-WPRPVWTQSA-N 1 0 228.292 0.188 10 0 BCAERO CN(C)c1[nH+]cc2c(c1C(N)=O)NCC2 ZINC000089212433 383949735 /nfs/dbraw/zinc/94/97/35/383949735.db2.gz QQZMZRKAOQKACK-UHFFFAOYSA-N 1 0 206.249 0.215 10 0 BCAERO O=S1(=O)CCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000068590508 384001506 /nfs/dbraw/zinc/00/15/06/384001506.db2.gz CLNYGCMPBRMPFA-BDAKNGLRSA-N 1 0 203.307 0.563 10 0 BCAERO CCC[C@@H](C)NC(=O)[C@@H]1C[NH2+]CCOC1 ZINC000643616289 384005422 /nfs/dbraw/zinc/00/54/22/384005422.db2.gz QIJYXLGSRQTVGP-NXEZZACHSA-N 1 0 214.309 0.527 10 0 BCAERO CC(C)N(C)C(=O)[C@H]1C[NH2+]CCOC1 ZINC000643615949 384006744 /nfs/dbraw/zinc/00/67/44/384006744.db2.gz CLJJBMZDRXXKPQ-VIFPVBQESA-N 1 0 200.282 0.089 10 0 BCAERO COC[C@@]1(C(=O)N(C)C(C)C)CCC[NH2+]1 ZINC000643616360 384007699 /nfs/dbraw/zinc/00/76/99/384007699.db2.gz SHRCCCXIKRHWOR-LLVKDONJSA-N 1 0 214.309 0.622 10 0 BCAERO CCC[C@@H](C)NC(=O)[C@H]1C[NH2+]CCOC1 ZINC000643616292 384007896 /nfs/dbraw/zinc/00/78/96/384007896.db2.gz QIJYXLGSRQTVGP-ZJUUUORDSA-N 1 0 214.309 0.527 10 0 BCAERO O=C([C@@H]1C[NH2+]CCOC1)N1CCc2ccccc21 ZINC000643615647 384007994 /nfs/dbraw/zinc/00/79/94/384007994.db2.gz SPARKJDHOJWLPL-GFCCVEGCSA-N 1 0 246.310 0.812 10 0 BCAERO C[C@@H]1CCCCN1C(=O)[C@H]1C[NH2+]CCOC1 ZINC000643616923 384009384 /nfs/dbraw/zinc/00/93/84/384009384.db2.gz LPXRTEZWEHYSNL-MNOVXSKESA-N 1 0 226.320 0.623 10 0 BCAERO Cc1ccc(CNC(=O)[C@@H]2C[NH2+]CCOC2)cc1 ZINC000643617144 384010833 /nfs/dbraw/zinc/01/08/33/384010833.db2.gz RZVWBFSYJPZKQT-CYBMUJFWSA-N 1 0 248.326 0.847 10 0 BCAERO CC(C)OCCCNC(=O)[C@@H]1C[NH2+]CCOC1 ZINC000643617066 384010859 /nfs/dbraw/zinc/01/08/59/384010859.db2.gz PVVDPKAZQMQFSW-LLVKDONJSA-N 1 0 244.335 0.154 10 0 BCAERO C[NH2+][C@H](C)CNc1ncnc2c1cnn2C ZINC000304238447 384087030 /nfs/dbraw/zinc/08/70/30/384087030.db2.gz CNSCAJDRHBFMAI-SSDOTTSWSA-N 1 0 220.280 0.383 10 0 BCAERO CC(C)C[C@H](C)NC(=O)[C@@H]1C[NH2+]CCOC1 ZINC000643779586 384055498 /nfs/dbraw/zinc/05/54/98/384055498.db2.gz JQBRGEAMFLUANT-WDEREUQCSA-N 1 0 228.336 0.773 10 0 BCAERO Cc1ccccc1CNC(=O)[C@@H]1C[NH2+]CCOC1 ZINC000643620614 384079777 /nfs/dbraw/zinc/07/97/77/384079777.db2.gz FOZOFLPGQZFTGC-CYBMUJFWSA-N 1 0 248.326 0.847 10 0 BCAERO O=C(NC[C@@H]1CCCS1)[C@@H]1C[NH2+]CCOC1 ZINC000643704892 384110933 /nfs/dbraw/zinc/11/09/33/384110933.db2.gz CQHSFQHEDOUAHZ-ZJUUUORDSA-N 1 0 244.360 0.234 10 0 BCAERO [NH3+]CC[C@H]1CS(=O)(=O)c2ccccc21 ZINC000035688518 384094816 /nfs/dbraw/zinc/09/48/16/384094816.db2.gz IVOXPNTYFQZMCX-QMMMGPOBSA-N 1 0 211.286 0.906 10 0 BCAERO O=C([C@@H]1CC12CC2)N1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC000648136000 384156185 /nfs/dbraw/zinc/15/61/85/384156185.db2.gz HGXQYHUCWCDIBJ-DCAQKATOSA-N 1 0 236.315 0.376 10 0 BCAERO CCO[C@@H]1C[C@@H]1C(=O)N[C@](C)(C[NH3+])C(C)C ZINC000262649364 384145046 /nfs/dbraw/zinc/14/50/46/384145046.db2.gz WXDGRHYTTGLSKH-HOSYDEDBSA-N 1 0 228.336 0.901 10 0 BCAERO Cn1ccnc1N1CC[NH+](CC(C)(C)O)CC1 ZINC000071382150 384166508 /nfs/dbraw/zinc/16/65/08/384166508.db2.gz YURBTILMXCPQKP-UHFFFAOYSA-N 1 0 238.335 0.313 10 0 BCAERO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)[C@@H](C)CO ZINC000163238976 384183949 /nfs/dbraw/zinc/18/39/49/384183949.db2.gz QQRIMANUFWUELM-CIUDSAMLSA-N 1 0 202.298 0.103 10 0 BCAERO O=C1NCCC[C@@H]1[NH2+]Cc1ccncc1 ZINC000050394049 384202664 /nfs/dbraw/zinc/20/26/64/384202664.db2.gz QDSTWPIXQKGMRA-JTQLQIEISA-N 1 0 205.261 0.450 10 0 BCAERO CC(C)(C)CCNC(=O)[C@H]1C[NH2+]CCOC1 ZINC000643628348 384186953 /nfs/dbraw/zinc/18/69/53/384186953.db2.gz QFCYJEXSUATJFR-JTQLQIEISA-N 1 0 228.336 0.775 10 0 BCAERO CC(C)(C)CCNC(=O)[C@@H]1C[NH2+]CCOC1 ZINC000643628349 384187101 /nfs/dbraw/zinc/18/71/01/384187101.db2.gz QFCYJEXSUATJFR-SNVBAGLBSA-N 1 0 228.336 0.775 10 0 BCAERO CCCN(C)C(=O)[C@@H]1C[NH2+]CCOC1 ZINC000643629478 384192195 /nfs/dbraw/zinc/19/21/95/384192195.db2.gz LRLPHYQTCMZGIR-SECBINFHSA-N 1 0 200.282 0.091 10 0 BCAERO CCCN(C)C(=O)[C@@]1(COC)CCC[NH2+]1 ZINC000643629475 384192646 /nfs/dbraw/zinc/19/26/46/384192646.db2.gz LCPDYEROGFUFTD-NSHDSACASA-N 1 0 214.309 0.623 10 0 BCAERO CCCCOC[C@H](O)C[NH2+][C@@H](CO)C(C)C ZINC000227894226 134398101 /nfs/dbraw/zinc/39/81/01/134398101.db2.gz YDVATLSCAXYZCA-NEPJUHHUSA-N 1 0 233.352 0.771 10 0 BCAERO Cc1cccc(CNC(=O)[C@H]2C[NH2+]CCOC2)c1 ZINC000643630506 384195657 /nfs/dbraw/zinc/19/56/57/384195657.db2.gz NWJAKZHMFLFAKP-ZDUSSCGKSA-N 1 0 248.326 0.847 10 0 BCAERO CCC[C@](C)([NH3+])C(=O)N[C@@H](CC)CCO ZINC000163261152 384196824 /nfs/dbraw/zinc/19/68/24/384196824.db2.gz RANSFRLBBZBDJT-ONGXEEELSA-N 1 0 216.325 0.781 10 0 BCAERO CO[C@H]1C[NH2+]C[C@@H]1Nc1nc(C)cs1 ZINC000036268058 384198547 /nfs/dbraw/zinc/19/85/47/384198547.db2.gz UEUMLXLFCYFIKB-YUMQZZPRSA-N 1 0 213.306 0.850 10 0 BCAERO COC[C@]1(C(=O)NC[C@H]2C[C@@H]2C)CCC[NH2+]1 ZINC000643638657 384241078 /nfs/dbraw/zinc/24/10/78/384241078.db2.gz JKFMOXYBSJRNAN-UMNHJUIQSA-N 1 0 226.320 0.527 10 0 BCAERO Cn1cccc1C[NH2+][C@@H]1CCc2ncnn2C1 ZINC000119121484 384236546 /nfs/dbraw/zinc/23/65/46/384236546.db2.gz DRRWMPUMSSJILP-SNVBAGLBSA-N 1 0 231.303 0.721 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1ccccn1 ZINC000082558715 384237119 /nfs/dbraw/zinc/23/71/19/384237119.db2.gz MDFJPLMGNSOJNL-RKDXNWHRSA-N 1 0 205.261 0.876 10 0 BCAERO CC[C@H]([NH3+])C(=O)N1CCS[C@@H](C)C1 ZINC000157591093 384226986 /nfs/dbraw/zinc/22/69/86/384226986.db2.gz QUVXSYJXEULDSL-YUMQZZPRSA-N 1 0 202.323 0.688 10 0 BCAERO COC[C@]1(C(=O)NC2CCOCC2)CCC[NH2+]1 ZINC000643639123 384247431 /nfs/dbraw/zinc/24/74/31/384247431.db2.gz BZFVGFIKKSTLHK-LBPRGKRZSA-N 1 0 242.319 0.050 10 0 BCAERO COC[C@H](C)N1CC[N@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000173676090 384252988 /nfs/dbraw/zinc/25/29/88/384252988.db2.gz GBXFRAUTIHVYKS-GRYCIOLGSA-N 1 0 230.352 0.408 10 0 BCAERO CC[C@@](C)(C[NH2+][C@@H]1CCCNC1=O)OC ZINC000319502825 384257629 /nfs/dbraw/zinc/25/76/29/384257629.db2.gz WKDQFDCJSLPFRQ-KOLCDFICSA-N 1 0 214.309 0.670 10 0 BCAERO C[C@H](C1CC1)N(C)C(=O)[C@@H]1C[NH2+]CCOC1 ZINC000643640199 384262149 /nfs/dbraw/zinc/26/21/49/384262149.db2.gz FELGFDPEHDWIIV-MWLCHTKSSA-N 1 0 226.320 0.479 10 0 BCAERO CCS(=O)(=O)CCC[NH2+]CC(C)(C)O ZINC000083464420 384305891 /nfs/dbraw/zinc/30/58/91/384305891.db2.gz LOSMWSIKFPMWND-UHFFFAOYSA-N 1 0 223.338 0.172 10 0 BCAERO Cc1cnn(CCNC(=O)NCC[NH+](C)C)c1 ZINC000133707939 384306074 /nfs/dbraw/zinc/30/60/74/384306074.db2.gz MGBPMFXIAQALBI-UHFFFAOYSA-N 1 0 239.323 0.052 10 0 BCAERO CC[C@@H](C)N(C)C(=O)[C@@H]1C[NH2+]CCOC1 ZINC000643648102 384312891 /nfs/dbraw/zinc/31/28/91/384312891.db2.gz NGEAQROUBHUUII-NXEZZACHSA-N 1 0 214.309 0.479 10 0 BCAERO CC[C@@H]1CCCN(C(=O)[C@@H]2C[NH2+]CCOC2)C1 ZINC000643644594 384278532 /nfs/dbraw/zinc/27/85/32/384278532.db2.gz ZHMFIWJUVCGHCG-VXGBXAGGSA-N 1 0 240.347 0.871 10 0 BCAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)Cc1ccccc1O ZINC000335555729 384323041 /nfs/dbraw/zinc/32/30/41/384323041.db2.gz KJFVXRLDOSBVAN-KOLCDFICSA-N 1 0 234.299 0.883 10 0 BCAERO Nc1ncccc1CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000094465252 384302265 /nfs/dbraw/zinc/30/22/65/384302265.db2.gz PVHGRIIXTDBQRT-GFCCVEGCSA-N 1 0 232.331 0.944 10 0 BCAERO O=[S@@](c1ncc(Cl)cn1)[C@@H]1CC[NH2+]C1 ZINC000095070007 384335198 /nfs/dbraw/zinc/33/51/98/384335198.db2.gz OYIIOFOUWRKLCE-UOWDBTKRSA-N 1 0 231.708 0.600 10 0 BCAERO O=[S@@](C[C@@H]1CCC[NH2+]1)c1ccnc(Cl)n1 ZINC000095070106 384335351 /nfs/dbraw/zinc/33/53/51/384335351.db2.gz LDXQNHMEBZIWIE-NZFNHWASSA-N 1 0 245.735 0.990 10 0 BCAERO O=[S@](c1ccc(Cl)nn1)[C@H]1CCC[NH2+]C1 ZINC000095069948 384335456 /nfs/dbraw/zinc/33/54/56/384335456.db2.gz PBNAANKFPVMCQK-NZFNHWASSA-N 1 0 245.735 0.990 10 0 BCAERO C[C@@H]1C[C@@H]([NH2+]C2CCN(CCO)CC2)CO1 ZINC000401986248 384373386 /nfs/dbraw/zinc/37/33/86/384373386.db2.gz BZEMZVFYDDCBNN-ZYHUDNBSSA-N 1 0 228.336 0.210 10 0 BCAERO CN(C[C@@H]1CC[NH2+]C1)C(=O)c1cnccn1 ZINC000095071182 384338491 /nfs/dbraw/zinc/33/84/91/384338491.db2.gz ZKDKMUJWDRVCPA-SECBINFHSA-N 1 0 220.276 0.158 10 0 BCAERO CN(C[C@@H]1CCC[NH2+]1)c1ncc(F)cn1 ZINC000095070936 384338813 /nfs/dbraw/zinc/33/88/13/384338813.db2.gz MNZPYDSZWZEISV-VIFPVBQESA-N 1 0 210.256 0.804 10 0 BCAERO CN(Cc1nccnc1Cl)[C@@H]1CC[NH2+]C1 ZINC000095070739 384339278 /nfs/dbraw/zinc/33/92/78/384339278.db2.gz ZGVNWDKWBWYKOA-MRVPVSSYSA-N 1 0 226.711 0.924 10 0 BCAERO CN(CC(=O)c1ccccn1)C[C@H]1CCC[NH2+]1 ZINC000095070999 384339556 /nfs/dbraw/zinc/33/95/56/384339556.db2.gz NJKZCAVOXGMQPO-LLVKDONJSA-N 1 0 233.315 0.948 10 0 BCAERO CN(C[C@@H]1CC[NH2+]C1)c1ncc(F)cn1 ZINC000095071216 384339629 /nfs/dbraw/zinc/33/96/29/384339629.db2.gz LAAJCVIPLNMYJE-MRVPVSSYSA-N 1 0 210.256 0.661 10 0 BCAERO COc1nccnc1CN1CC[NH2+]C[C@@H]1C ZINC000095071621 384340856 /nfs/dbraw/zinc/34/08/56/384340856.db2.gz CFPDJCIPYASTNJ-VIFPVBQESA-N 1 0 222.292 0.279 10 0 BCAERO COc1nccnc1CN1CCC[C@H](C[NH3+])C1 ZINC000095071609 384341137 /nfs/dbraw/zinc/34/11/37/384341137.db2.gz BVNDKBKHCXWOLH-SNVBAGLBSA-N 1 0 236.319 0.656 10 0 BCAERO [NH3+]C[C@H]1CCCN(Cc2cnccn2)C1 ZINC000044530308 384341601 /nfs/dbraw/zinc/34/16/01/384341601.db2.gz SKAPQXUWXDBEIE-SNVBAGLBSA-N 1 0 206.293 0.647 10 0 BCAERO O=[S@](c1ncc(F)cn1)[C@H]1CCC[NH2+]C1 ZINC000095071994 384341689 /nfs/dbraw/zinc/34/16/89/384341689.db2.gz JLTMHVNHFOPFND-VXJOIVPMSA-N 1 0 229.280 0.475 10 0 BCAERO O=[S@@](c1ncc(F)cn1)[C@H]1CCC[NH2+]C1 ZINC000095071995 384341702 /nfs/dbraw/zinc/34/17/02/384341702.db2.gz JLTMHVNHFOPFND-AYVTZFPOSA-N 1 0 229.280 0.475 10 0 BCAERO COc1nccnc1CN1CCC(C[NH3+])CC1 ZINC000095071607 384341836 /nfs/dbraw/zinc/34/18/36/384341836.db2.gz XAIDHBMCUWTPRO-UHFFFAOYSA-N 1 0 236.319 0.656 10 0 BCAERO COc1nccnc1CN1CCCC[C@H]1C[NH3+] ZINC000095071616 384342053 /nfs/dbraw/zinc/34/20/53/384342053.db2.gz KUQGBPSLSJMBEU-JTQLQIEISA-N 1 0 236.319 0.798 10 0 BCAERO [NH3+]C[C@H]1CCN(c2ccnc(Cl)n2)C1 ZINC000095072653 384343224 /nfs/dbraw/zinc/34/32/24/384343224.db2.gz MAHDGAWKVIXAIQ-SSDOTTSWSA-N 1 0 212.684 0.915 10 0 BCAERO [NH3+]C[C@@H]1CCN(CC(=O)c2ccccn2)C1 ZINC000095072682 384343306 /nfs/dbraw/zinc/34/33/06/384343306.db2.gz CEJLAEKEZSDQBJ-JTQLQIEISA-N 1 0 219.288 0.545 10 0 BCAERO [NH3+]C[C@@H]1CCCCN1c1ncc(F)cn1 ZINC000095072414 384343792 /nfs/dbraw/zinc/34/37/92/384343792.db2.gz TWNJVXTXANIBPJ-VIFPVBQESA-N 1 0 210.256 0.933 10 0 BCAERO O=[S@](c1nccs1)[C@H]1CC[NH2+]C1 ZINC000095073017 384344734 /nfs/dbraw/zinc/34/47/34/384344734.db2.gz FJMGQZGQTROLJN-PWCHPLFNSA-N 1 0 202.304 0.613 10 0 BCAERO O=C(CNC[C@H]1CC[NH2+]C1)c1ccco1 ZINC000095072806 384344775 /nfs/dbraw/zinc/34/47/75/384344775.db2.gz BNFFGNAARZGKOZ-VIFPVBQESA-N 1 0 208.261 0.661 10 0 BCAERO O=C(CNC[C@H]1CCC[NH2+]1)c1ccccn1 ZINC000095072786 384344952 /nfs/dbraw/zinc/34/49/52/384344952.db2.gz ORFQJHNQXDYYMA-SNVBAGLBSA-N 1 0 219.288 0.606 10 0 BCAERO O=C(COC1CC[NH2+]CC1)c1ccc[nH]1 ZINC000095072852 384345106 /nfs/dbraw/zinc/34/51/06/384345106.db2.gz NIKKCUFNNPXNLV-UHFFFAOYSA-N 1 0 208.261 0.966 10 0 BCAERO O=C(CNC[C@@H]1CCC[NH2+]1)c1ccco1 ZINC000095072781 384346205 /nfs/dbraw/zinc/34/62/05/384346205.db2.gz OQWRUTHHBFJTNG-VIFPVBQESA-N 1 0 208.261 0.804 10 0 BCAERO O=S(=O)(Cc1cccnc1)[C@@H]1CC[NH2+]C1 ZINC000095073096 384346398 /nfs/dbraw/zinc/34/63/98/384346398.db2.gz DQKXHZRPIGHQCX-SNVBAGLBSA-N 1 0 226.301 0.358 10 0 BCAERO O=C(CN[C@H]1CCC[NH2+]C1)c1nccs1 ZINC000095072751 384346561 /nfs/dbraw/zinc/34/65/61/384346561.db2.gz IXBAIQBSVUTTIO-QMMMGPOBSA-N 1 0 225.317 0.667 10 0 BCAERO O=S(=O)(C[C@@H]1CCC[NH2+]1)c1ccncc1 ZINC000095073173 384347208 /nfs/dbraw/zinc/34/72/08/384347208.db2.gz SRLAVCGURPIMDF-VIFPVBQESA-N 1 0 226.301 0.607 10 0 BCAERO O=[S@](c1ccccn1)[C@@H]1CCC[NH2+]C1 ZINC000095073370 384347626 /nfs/dbraw/zinc/34/76/26/384347626.db2.gz HXADUYVWOXPATK-YMTOWFKASA-N 1 0 210.302 0.941 10 0 BCAERO O=S(=O)(CC1CC[NH2+]CC1)c1ncccn1 ZINC000095073263 384347684 /nfs/dbraw/zinc/34/76/84/384347684.db2.gz QGBLWSBBKYXXRT-UHFFFAOYSA-N 1 0 241.316 0.250 10 0 BCAERO O=S(=O)(C[C@@H]1CCC[NH2+]C1)c1nccs1 ZINC000095073211 384347816 /nfs/dbraw/zinc/34/78/16/384347816.db2.gz HASMREZNLZXSJT-MRVPVSSYSA-N 1 0 246.357 0.916 10 0 BCAERO O=[S@@](Cc1ccccn1)[C@@H]1CC[NH2+]C1 ZINC000095073425 384347831 /nfs/dbraw/zinc/34/78/31/384347831.db2.gz IGYXCHJBYZUTJQ-QMTHXVAHSA-N 1 0 210.302 0.692 10 0 BCAERO O=[S@@](c1ncccn1)C1CC[NH2+]CC1 ZINC000095073415 384348540 /nfs/dbraw/zinc/34/85/40/384348540.db2.gz RWOCTYOKGVXEHM-AWEZNQCLSA-N 1 0 211.290 0.336 10 0 BCAERO O=[S@@](Cc1ccccn1)C[C@H]1CC[NH2+]C1 ZINC000095073691 384349588 /nfs/dbraw/zinc/34/95/88/384349588.db2.gz IONLBQQPNWICFZ-BONVTDFDSA-N 1 0 224.329 0.940 10 0 BCAERO C[C@@H]1C[C@@H](O)C[N@H+](CCc2cnn(C)c2)C1 ZINC000335585900 384349768 /nfs/dbraw/zinc/34/97/68/384349768.db2.gz GIKLPLIMRIXRHE-ZYHUDNBSSA-N 1 0 223.320 0.665 10 0 BCAERO Cc1nccn1CC[N@@H+]1C[C@H](C)C[C@@H](O)C1 ZINC000335589004 384350072 /nfs/dbraw/zinc/35/00/72/384350072.db2.gz KFADBFZWVGCJNT-ZYHUDNBSSA-N 1 0 223.320 0.894 10 0 BCAERO C[C@H]1C[C@@H](O)C[N@H+](CC2(O)CCCC2)C1 ZINC000335586704 384351862 /nfs/dbraw/zinc/35/18/62/384351862.db2.gz ULXSZWOCRYEOLL-WDEREUQCSA-N 1 0 213.321 0.994 10 0 BCAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)Nc1ccncc1 ZINC000335594218 384359702 /nfs/dbraw/zinc/35/97/02/384359702.db2.gz VIPCOKQMJFHUFS-ONGXEEELSA-N 1 0 219.288 0.830 10 0 BCAERO CC(C)(C)OC(=O)N1CC([C@@H]([NH3+])CCO)C1 ZINC000095083014 384361162 /nfs/dbraw/zinc/36/11/62/384361162.db2.gz UFGQXWWGJADWSC-VIFPVBQESA-N 1 0 230.308 0.563 10 0 BCAERO c1cnc(COC[C@@H]2CCC[NH2+]C2)cn1 ZINC000095092703 384362315 /nfs/dbraw/zinc/36/23/15/384362315.db2.gz ICNYLLVHQXMFIZ-SNVBAGLBSA-N 1 0 207.277 0.993 10 0 BCAERO c1cnc(CNC[C@H]2CCCC[NH2+]2)cn1 ZINC000095092650 384362332 /nfs/dbraw/zinc/36/23/32/384362332.db2.gz GZEZYUKJNFQDKX-SNVBAGLBSA-N 1 0 206.293 0.708 10 0 BCAERO c1cnc2[nH]c(OC[C@H]3CC[NH2+]C3)nc2c1 ZINC000095092681 384362799 /nfs/dbraw/zinc/36/27/99/384362799.db2.gz YVLHTJCUESRQJS-QMMMGPOBSA-N 1 0 218.260 0.946 10 0 BCAERO c1cnc(CNC[C@H]2CCC[NH2+]C2)cn1 ZINC000095092654 384363089 /nfs/dbraw/zinc/36/30/89/384363089.db2.gz IGKBBMVBHLWLHT-JTQLQIEISA-N 1 0 206.293 0.566 10 0 BCAERO COC[C@]1(C(=O)N2CC[C@H](C)C2)CCC[NH2+]1 ZINC000643657429 384370031 /nfs/dbraw/zinc/37/00/31/384370031.db2.gz RHXUEGKHJUJUCU-JQWIXIFHSA-N 1 0 226.320 0.623 10 0 BCAERO C[C@H](O)CN(CC[NH3+])C(=O)OC(C)(C)C ZINC000095348243 384371641 /nfs/dbraw/zinc/37/16/41/384371641.db2.gz VLXYEQXFLYGVFK-QMMMGPOBSA-N 1 0 218.297 0.563 10 0 BCAERO Cn1nccc1[C@H]1[C@H]([NH3+])CCC(=O)N1C1CC1 ZINC000159921892 384372726 /nfs/dbraw/zinc/37/27/26/384372726.db2.gz XZNZJLISMARZCN-BXKDBHETSA-N 1 0 234.303 0.573 10 0 BCAERO CCC1CCN(C(=O)[C@@H]2C[NH2+]CCOC2)CC1 ZINC000643650901 384330030 /nfs/dbraw/zinc/33/00/30/384330030.db2.gz WURNYVQSTYQAJR-GFCCVEGCSA-N 1 0 240.347 0.871 10 0 BCAERO CCC1CCN(C(=O)[C@H]2C[NH2+]CCOC2)CC1 ZINC000643650902 384330937 /nfs/dbraw/zinc/33/09/37/384330937.db2.gz WURNYVQSTYQAJR-LBPRGKRZSA-N 1 0 240.347 0.871 10 0 BCAERO Cc1ccc(S(=O)(=O)C[C@@H]2CCC[NH2+]2)nn1 ZINC000095069077 384331661 /nfs/dbraw/zinc/33/16/61/384331661.db2.gz KOKZXBKONIWNRE-VIFPVBQESA-N 1 0 241.316 0.311 10 0 BCAERO Cc1ccnc([S@@](=O)[C@@H]2CCC[NH2+]C2)n1 ZINC000095069274 384331821 /nfs/dbraw/zinc/33/18/21/384331821.db2.gz QPAXBWMXCYRFJY-RFAUZJTJSA-N 1 0 225.317 0.645 10 0 BCAERO Cc1ccnc([S@@](=O)[C@@H]2CC[NH2+]C2)n1 ZINC000095069270 384332055 /nfs/dbraw/zinc/33/20/55/384332055.db2.gz GGYOYDOYFZPCRU-XLKFXECMSA-N 1 0 211.290 0.255 10 0 BCAERO Cc1ccnc(S(=O)(=O)C2CC[NH2+]CC2)c1 ZINC000095069172 384332232 /nfs/dbraw/zinc/33/22/32/384332232.db2.gz GTWDSFZZNGAOHW-UHFFFAOYSA-N 1 0 240.328 0.916 10 0 BCAERO Cc1ccnc([S@@](=O)C2CC[NH2+]CC2)n1 ZINC000095069278 384332513 /nfs/dbraw/zinc/33/25/13/384332513.db2.gz WQQFDHLFENTLJY-OAHLLOKOSA-N 1 0 225.317 0.645 10 0 BCAERO Cc1ccnc(S(=O)(=O)C[C@@H]2CCC[NH2+]2)n1 ZINC000095069240 384332601 /nfs/dbraw/zinc/33/26/01/384332601.db2.gz VFLDRDCMBJZWBZ-VIFPVBQESA-N 1 0 241.316 0.311 10 0 BCAERO Cc1ccc(S(=O)(=O)[C@H]2CC[NH2+]C2)nc1 ZINC000095069006 384332721 /nfs/dbraw/zinc/33/27/21/384332721.db2.gz PWMVPPOXHMQCSY-VIFPVBQESA-N 1 0 226.301 0.526 10 0 BCAERO Cc1ccc([S@](=O)[C@@H]2CC[NH2+]C2)nc1 ZINC000095069043 384332725 /nfs/dbraw/zinc/33/27/25/384332725.db2.gz KEOJTWNYMICBGK-OTYXRUKQSA-N 1 0 210.302 0.860 10 0 BCAERO O=[S@](C[C@H]1CC[NH2+]C1)c1ccnc(Cl)n1 ZINC000095070117 384334196 /nfs/dbraw/zinc/33/41/96/384334196.db2.gz LRABTQHRPSPXCL-ZIDLFYJRSA-N 1 0 245.735 0.847 10 0 BCAERO O=S(=O)(c1ccc(Cl)nn1)[C@@H]1CC[NH2+]C1 ZINC000095069928 384334391 /nfs/dbraw/zinc/33/43/91/384334391.db2.gz SEGNHHRJUARVDJ-ZCFIWIBFSA-N 1 0 247.707 0.266 10 0 BCAERO O=[S@@](c1ncc(Cl)cn1)C1CC[NH2+]CC1 ZINC000095070015 384334513 /nfs/dbraw/zinc/33/45/13/384334513.db2.gz CDCOWDRZEMAGOE-HNNXBMFYSA-N 1 0 245.735 0.990 10 0 BCAERO O=[S@](c1ccnc(Cl)n1)C1CC[NH2+]CC1 ZINC000095070100 384334929 /nfs/dbraw/zinc/33/49/29/384334929.db2.gz GUPPOCSJMYYMCA-OAHLLOKOSA-N 1 0 245.735 0.990 10 0 BCAERO O=[S@@](c1ncc(Cl)cn1)[C@@H]1CCC[NH2+]C1 ZINC000095070011 384334990 /nfs/dbraw/zinc/33/49/90/384334990.db2.gz DAMZERZWJYLMML-GLEZIHRCSA-N 1 0 245.735 0.990 10 0 BCAERO C[C@H]([NH2+]CC1CC(O)C1)c1nccn1C ZINC000084446358 384397743 /nfs/dbraw/zinc/39/77/43/384397743.db2.gz XRJWYKXBTVHHJC-IDKOKCKLSA-N 1 0 209.293 0.842 10 0 BCAERO O=S(=O)(Nc1ccccc1)C1C[NH2+]C1 ZINC000095829557 384400875 /nfs/dbraw/zinc/40/08/75/384400875.db2.gz LIHALJRBEXOZMQ-UHFFFAOYSA-N 1 0 212.274 0.400 10 0 BCAERO CCSCCN1CC[C@H]2OCC[NH2+][C@H]2C1 ZINC000404181397 384419586 /nfs/dbraw/zinc/41/95/86/384419586.db2.gz DSNMXFFZVJAITC-WDEREUQCSA-N 1 0 230.377 0.802 10 0 BCAERO [NH3+][C@H]1CC[C@H](C(=O)Nc2ccnc3ccnn32)C1 ZINC000237900194 384420346 /nfs/dbraw/zinc/42/03/46/384420346.db2.gz GYAJDQRXKYNOJE-IUCAKERBSA-N 1 0 245.286 0.795 10 0 BCAERO Cn1cc(C[NH2+]C[C@H]2CCC[C@H]2O)cn1 ZINC000084226707 384379811 /nfs/dbraw/zinc/37/98/11/384379811.db2.gz OECRKLJGNDNRTK-GHMZBOCLSA-N 1 0 209.293 0.671 10 0 BCAERO CC[C@H](COC)NC(=O)C1(C[NH3+])CCOCC1 ZINC000079744518 384430775 /nfs/dbraw/zinc/43/07/75/384430775.db2.gz WLHZSNZUNDDSBL-SNVBAGLBSA-N 1 0 244.335 0.283 10 0 BCAERO C[C@@H]1CN(C(=O)c2n[nH]c3c2CCCC3)C[C@H]1[NH3+] ZINC000643600323 384432582 /nfs/dbraw/zinc/43/25/82/384432582.db2.gz HTJAMVCOBIDZGI-PSASIEDQSA-N 1 0 248.330 0.708 10 0 BCAERO C[C@H]1CCCN(C(=O)[C@@H]2C[NH2+]CCOC2)CC1 ZINC000643665719 384438900 /nfs/dbraw/zinc/43/89/00/384438900.db2.gz VWLPUXSDHICZJN-NWDGAFQWSA-N 1 0 240.347 0.871 10 0 BCAERO COC(=O)c1nc(NCC[NH3+])sc1C ZINC000313515905 384439699 /nfs/dbraw/zinc/43/96/99/384439699.db2.gz MRYIAKZMNKUCEB-UHFFFAOYSA-N 1 0 215.278 0.609 10 0 BCAERO CCC[C@H]1C[C@@H]1NC(=O)C1([NH3+])CCOCC1 ZINC000229217418 384462599 /nfs/dbraw/zinc/46/25/99/384462599.db2.gz SGRGFHRTLWMSJI-UWVGGRQHSA-N 1 0 226.320 0.799 10 0 BCAERO C[C@H]([NH2+]C1CC1)C(=O)N1CCOC[C@H]1C ZINC000335662436 384467966 /nfs/dbraw/zinc/46/79/66/384467966.db2.gz ITDKETARKSWORF-BDAKNGLRSA-N 1 0 212.293 0.374 10 0 BCAERO Cc1csc(C[NH2+]C[C@@H]2CN(C)CCO2)n1 ZINC000079055226 384481266 /nfs/dbraw/zinc/48/12/66/384481266.db2.gz UIQBPAQNVXDTTM-SNVBAGLBSA-N 1 0 241.360 0.872 10 0 BCAERO Cc1cccc(CC[N@@H+]2C[C@H](O)C[C@@H]2CO)n1 ZINC000564913358 384506764 /nfs/dbraw/zinc/50/67/64/384506764.db2.gz WRDHYNDFUUYNEX-CHWSQXEVSA-N 1 0 236.315 0.360 10 0 BCAERO CCN(C)C(=O)[C@]1(COC)CCC[NH2+]1 ZINC000643673840 384535784 /nfs/dbraw/zinc/53/57/84/384535784.db2.gz CHJNHCDUXIQFBK-SNVBAGLBSA-N 1 0 200.282 0.233 10 0 BCAERO C[C@H]1CCCCN(C(=O)[C@H]2C[NH2+]CCOC2)C1 ZINC000643793905 384516946 /nfs/dbraw/zinc/51/69/46/384516946.db2.gz IJYOQXLBTZEKPD-RYUDHWBXSA-N 1 0 240.347 0.871 10 0 BCAERO O=C1NCCC[C@H]1[NH2+][C@@H]1CCCSC1 ZINC000061589457 384520756 /nfs/dbraw/zinc/52/07/56/384520756.db2.gz KDKSBRFLYQZGGC-RKDXNWHRSA-N 1 0 214.334 0.750 10 0 BCAERO CCN(C)C(=O)C1(CCOC)CC[NH2+]CC1 ZINC000643674041 384533553 /nfs/dbraw/zinc/53/35/53/384533553.db2.gz HYNUUCLXACLJKB-UHFFFAOYSA-N 1 0 228.336 0.871 10 0 BCAERO Cc1ccc(C[N@@H+]2C[C@H](O)C[C@@H]2CO)cc1 ZINC000184004860 384550337 /nfs/dbraw/zinc/55/03/37/384550337.db2.gz FNQCBVDPPQLNIB-CHWSQXEVSA-N 1 0 221.300 0.923 10 0 BCAERO [NH3+][C@]1(CC(F)(F)F)CCS(=O)(=O)C1 ZINC000258239615 384551405 /nfs/dbraw/zinc/55/14/05/384551405.db2.gz GOYSYYYUOCGKMI-YFKPBYRVSA-N 1 0 217.212 0.455 10 0 BCAERO Cn1ccc(C[NH2+][C@H]2CCCNC2=O)c1 ZINC000085604154 384539066 /nfs/dbraw/zinc/53/90/66/384539066.db2.gz KMOSBGZXLGEHHI-JTQLQIEISA-N 1 0 207.277 0.393 10 0 BCAERO CO[C@H]1C[NH2+][C@@H](C(=O)N(C)Cc2ccccn2)C1 ZINC000040632065 384590726 /nfs/dbraw/zinc/59/07/26/384590726.db2.gz HLTZHZUQSUOZBR-VXGBXAGGSA-N 1 0 249.314 0.417 10 0 BCAERO Cn1cc(Br)cc(C[NH3+])c1=O ZINC000258540939 384604346 /nfs/dbraw/zinc/60/43/46/384604346.db2.gz QKYHPZDUAMCTEP-UHFFFAOYSA-N 1 0 217.066 0.607 10 0 BCAERO O=C(NC[C@H]1CC[NH2+]C1)Nc1ccccn1 ZINC000258586288 384614800 /nfs/dbraw/zinc/61/48/00/384614800.db2.gz QBISMPQTFGGEIP-VIFPVBQESA-N 1 0 220.276 0.813 10 0 BCAERO CCCCOC[C@H](O)C[N@H+](C)CCCO ZINC000300874624 384621916 /nfs/dbraw/zinc/62/19/16/384621916.db2.gz XYKDSSGNNVNLNC-LLVKDONJSA-N 1 0 219.325 0.478 10 0 BCAERO COC[C@H](C)C(=O)NCC[NH+]1CCCCC1 ZINC000103430606 384625045 /nfs/dbraw/zinc/62/50/45/384625045.db2.gz ZIMRRIUPOZOFPW-NSHDSACASA-N 1 0 228.336 0.871 10 0 BCAERO COC[C@H](C)C(=O)NCC[N@H+](C)C(C)C ZINC000103521436 384628609 /nfs/dbraw/zinc/62/86/09/384628609.db2.gz QASGYGHLODCPIL-JTQLQIEISA-N 1 0 216.325 0.725 10 0 BCAERO CC[N@H+](CCNC(=O)[C@H](C)COC)C1CC1 ZINC000103521444 384628643 /nfs/dbraw/zinc/62/86/43/384628643.db2.gz OELOVLHLMYULBI-SNVBAGLBSA-N 1 0 228.336 0.869 10 0 BCAERO Cc1nc(CN(C)[C@@H]2CCC[NH2+]CC2)no1 ZINC000098095528 384591249 /nfs/dbraw/zinc/59/12/49/384591249.db2.gz LJBHBYHZOGFPKB-SNVBAGLBSA-N 1 0 224.308 0.952 10 0 BCAERO CO[C@@H]1C[C@H](CO)[N@H+](Cc2cc(C)no2)C1 ZINC000309782170 384597666 /nfs/dbraw/zinc/59/76/66/384597666.db2.gz RMLUHOFLVPADRE-NXEZZACHSA-N 1 0 226.276 0.565 10 0 BCAERO CC1(C)CCN(C(=O)[C@H]2C[NH2+]CCOC2)CC1 ZINC000643676299 384597784 /nfs/dbraw/zinc/59/77/84/384597784.db2.gz LIJFNUWWWPTVEX-NSHDSACASA-N 1 0 240.347 0.871 10 0 BCAERO CCNC(=O)CC[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000047943744 384669746 /nfs/dbraw/zinc/66/97/46/384669746.db2.gz INBWHJLLWHIJQK-VHSXEESVSA-N 1 0 214.309 0.670 10 0 BCAERO Cc1nc(C[N@@H+]2CC[C@@]3(CC(=O)NC3=O)C2)co1 ZINC000082115093 384647162 /nfs/dbraw/zinc/64/71/62/384647162.db2.gz KAVDYGHAXUGPGZ-GFCCVEGCSA-N 1 0 249.270 0.222 10 0 BCAERO C[NH+](C)[C@@H]1CCN(C(=O)c2ccccn2)C1 ZINC000082278737 384660070 /nfs/dbraw/zinc/66/00/70/384660070.db2.gz YJSZVJRRQJMCFA-SNVBAGLBSA-N 1 0 219.288 0.858 10 0 BCAERO CC(C)(C)S(=O)(=O)N[C@H]1CC[C@@H]([NH3+])C1 ZINC000258975300 384726854 /nfs/dbraw/zinc/72/68/54/384726854.db2.gz AHDAEOBMLOYYSC-SFYZADRCSA-N 1 0 220.338 0.584 10 0 BCAERO CC(C)n1nnnc1CN1CCC[C@H]1CO ZINC000104961606 384727288 /nfs/dbraw/zinc/72/72/88/384727288.db2.gz LQFAXEIAHJFADB-VIFPVBQESA-N 1 0 225.296 0.211 10 0 BCAERO COC[C@]1(C(=O)N(C)[C@H]2CCOC2)CCC[NH2+]1 ZINC000643680188 384710800 /nfs/dbraw/zinc/71/08/00/384710800.db2.gz GRIXJDGXXFQTPU-JQWIXIFHSA-N 1 0 242.319 0.002 10 0 BCAERO CC(C)[C@@H](CO)[NH2+]C[C@@H](O)C(C)(C)C ZINC000308516383 384777221 /nfs/dbraw/zinc/77/72/21/384777221.db2.gz FHCLHCDWIHMHML-NXEZZACHSA-N 1 0 203.326 1.000 10 0 BCAERO COCCCCNC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054292222 384732842 /nfs/dbraw/zinc/73/28/42/384732842.db2.gz HBBADAVVKGBSJT-NSHDSACASA-N 1 0 228.336 0.919 10 0 BCAERO CSCC[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000173955277 384738635 /nfs/dbraw/zinc/73/86/35/384738635.db2.gz BQVYYBJQXMIHLU-NSHDSACASA-N 1 0 230.377 0.756 10 0 BCAERO [NH3+][C@H]1COc2c(F)cc(F)cc2[C@H]1O ZINC000145175968 384769772 /nfs/dbraw/zinc/76/97/72/384769772.db2.gz VVGXPVTZHDXFRP-JGVFFNPUSA-N 1 0 201.172 0.718 10 0 BCAERO CCOC(=O)[C@@H](C)N1CCO[C@H](C[NH+](C)C)C1 ZINC000105924288 384820294 /nfs/dbraw/zinc/82/02/94/384820294.db2.gz ZBLQBNLWSUCDAF-GHMZBOCLSA-N 1 0 244.335 0.200 10 0 BCAERO CO[C@@H]1C[C@H](CO)[N@H+](CCOC(C)(C)C)C1 ZINC000309264782 384837788 /nfs/dbraw/zinc/83/77/88/384837788.db2.gz JESRGAKNQPJMFT-GHMZBOCLSA-N 1 0 231.336 0.883 10 0 BCAERO CC[C@H](C)CN(C)C(=O)[C@@H]1C[NH2+]CCOC1 ZINC000643688878 384827414 /nfs/dbraw/zinc/82/74/14/384827414.db2.gz MRURSMOWBKACHV-WDEREUQCSA-N 1 0 228.336 0.727 10 0 BCAERO COC[C@H](O)C[N@@H+]1CCC[C@H]1CCCO ZINC000126533541 384786554 /nfs/dbraw/zinc/78/65/54/384786554.db2.gz MYBCPEOGRYJTPA-WDEREUQCSA-N 1 0 217.309 0.231 10 0 BCAERO COC[C@H](C)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000105780395 384810342 /nfs/dbraw/zinc/81/03/42/384810342.db2.gz QYCQCCNTTXPIPE-QWRGUYRKSA-N 1 0 228.336 0.822 10 0 BCAERO CS(=O)(=O)c1ccc([C@@H]([NH3+])CO)cc1 ZINC000072198259 384811333 /nfs/dbraw/zinc/81/13/33/384811333.db2.gz VOUMOWIBXBPBRZ-VIFPVBQESA-N 1 0 215.274 0.082 10 0 BCAERO C[C@H](C(N)=O)[NH+]1CCC(Cn2cccn2)CC1 ZINC000105886055 384887850 /nfs/dbraw/zinc/88/78/50/384887850.db2.gz QTSAPVMAXDRYIL-SNVBAGLBSA-N 1 0 236.319 0.469 10 0 BCAERO Nc1ccccc1OCc1n[nH]c(C[NH3+])n1 ZINC000072237478 384840808 /nfs/dbraw/zinc/84/08/08/384840808.db2.gz WPZAFNPFVSKHBH-UHFFFAOYSA-N 1 0 219.248 0.425 10 0 BCAERO CO[C@@H]1C[C@H](CO)[N@H+](CCc2ccccn2)C1 ZINC000310109602 384843463 /nfs/dbraw/zinc/84/34/63/384843463.db2.gz DYMDPPHWXRUJSP-CHWSQXEVSA-N 1 0 236.315 0.706 10 0 BCAERO CO[C@@H]1C[C@H](CO)[N@H+](CCc2ccncc2)C1 ZINC000310132739 384851251 /nfs/dbraw/zinc/85/12/51/384851251.db2.gz KZRLZNNAQKIKBX-CHWSQXEVSA-N 1 0 236.315 0.706 10 0 BCAERO C([C@H]1CSCC[NH2+]1)N1CCOCC1 ZINC000127037119 384855054 /nfs/dbraw/zinc/85/50/54/384855054.db2.gz HPDXKIMCWRBGQW-VIFPVBQESA-N 1 0 202.323 0.024 10 0 BCAERO O=c1[nH]c2ccncc2n1C1CC[NH2+]CC1 ZINC000084310119 384858353 /nfs/dbraw/zinc/85/83/53/384858353.db2.gz YHOHVYQKQJDIOG-UHFFFAOYSA-N 1 0 218.260 0.649 10 0 BCAERO Nc1nnc(S[C@H]2CCC[NH2+]C2)s1 ZINC000043501723 384864623 /nfs/dbraw/zinc/86/46/23/384864623.db2.gz AECKDTNGKUTROP-YFKPBYRVSA-N 1 0 216.335 0.964 10 0 BCAERO [NH3+][C@H]1CCN(c2cc(NC3CC3)ncn2)C1 ZINC000258942787 384950299 /nfs/dbraw/zinc/95/02/99/384950299.db2.gz KWPZHDXUHAVEIP-QMMMGPOBSA-N 1 0 219.292 0.588 10 0 BCAERO CN1[C@@H](C(N)=O)CC[C@@H]1c1cccnc1 ZINC000213041198 384897069 /nfs/dbraw/zinc/89/70/69/384897069.db2.gz NILNZJRCICEFQO-NXEZZACHSA-N 1 0 205.261 0.702 10 0 BCAERO CSCCC(=O)N1CC[C@@H]([NH3+])[C@H]1C ZINC000335552846 384905897 /nfs/dbraw/zinc/90/58/97/384905897.db2.gz HDGJMLHJYDAULK-HTQZYQBOSA-N 1 0 202.323 0.688 10 0 BCAERO CC(C)[C@@H](O)C[N@@H+]1C[C@H](C)C[C@@H](O)C1 ZINC000307003522 384915414 /nfs/dbraw/zinc/91/54/14/384915414.db2.gz DIHUYBKUZKUUMF-MXWKQRLJSA-N 1 0 201.310 0.706 10 0 BCAERO CO[C@H]1C[C@@H](CO)[N@H+](Cc2cccnc2)C1 ZINC000309292972 384915288 /nfs/dbraw/zinc/91/52/88/384915288.db2.gz QQIHYBATFZXDTB-RYUDHWBXSA-N 1 0 222.288 0.663 10 0 BCAERO COC[C@@H](C)[NH2+][C@@H]1CCc2nc[nH]c2C1 ZINC000368090441 384937636 /nfs/dbraw/zinc/93/76/36/384937636.db2.gz RHASOSXRYXKRQE-RKDXNWHRSA-N 1 0 209.293 0.892 10 0 BCAERO COC[C@H](C)[NH2+][C@H]1CCc2nc[nH]c2C1 ZINC000368090440 384938157 /nfs/dbraw/zinc/93/81/57/384938157.db2.gz RHASOSXRYXKRQE-IUCAKERBSA-N 1 0 209.293 0.892 10 0 BCAERO Cn1ccc(NC(=O)N2CC[C@@H]([NH+](C)C)C2)n1 ZINC000107053172 384944178 /nfs/dbraw/zinc/94/41/78/384944178.db2.gz YCBBDVSUKZCCRD-SECBINFHSA-N 1 0 237.307 0.588 10 0 BCAERO Cc1ccc(CN2C(=O)C[C@@H](N)C2=O)cc1 ZINC000057939442 384974587 /nfs/dbraw/zinc/97/45/87/384974587.db2.gz AAYMEVQOJVYGNQ-SNVBAGLBSA-N 1 0 218.256 0.581 10 0 BCAERO [NH3+][C@@H]1CC[C@H](C(=O)NCCOCC2CC2)C1 ZINC000226325923 384980254 /nfs/dbraw/zinc/98/02/54/384980254.db2.gz WDHGPMUEGXLGOS-WDEREUQCSA-N 1 0 226.320 0.657 10 0 BCAERO [NH3+][C@H]1CC[C@H](C(=O)NCc2cccc(CO)c2)C1 ZINC000226335238 384981641 /nfs/dbraw/zinc/98/16/41/384981641.db2.gz GXOCZFYAPNCCBU-STQMWFEESA-N 1 0 248.326 0.923 10 0 BCAERO [NH3+][C@@H]1CC[C@@H](C(=O)NCc2cccc(CO)c2)C1 ZINC000226335219 384982519 /nfs/dbraw/zinc/98/25/19/384982519.db2.gz GXOCZFYAPNCCBU-CHWSQXEVSA-N 1 0 248.326 0.923 10 0 BCAERO C[C@@H](O)C1CCN(C(=O)[C@@]2(C)CC[NH2+]C2)CC1 ZINC000226332512 384982561 /nfs/dbraw/zinc/98/25/61/384982561.db2.gz YFEGULJMBVLCLM-MFKMUULPSA-N 1 0 240.347 0.605 10 0 BCAERO Cc1nocc1C[NH2+][C@@H]1CCC(=O)N[C@H]1C ZINC000339388994 384993154 /nfs/dbraw/zinc/99/31/54/384993154.db2.gz CISLXRJHIVCVCC-WCBMZHEXSA-N 1 0 223.276 0.740 10 0 BCAERO C[C@H](O)CCN(C)C(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000226360683 384997736 /nfs/dbraw/zinc/99/77/36/384997736.db2.gz VKSSNXMFVFJISY-GARJFASQSA-N 1 0 228.336 0.733 10 0 BCAERO CCN1CCO[C@@H](C[NH2+]Cc2ccns2)C1 ZINC000404459731 385003305 /nfs/dbraw/zinc/00/33/05/385003305.db2.gz SJXLMLNDWNSBQA-JTQLQIEISA-N 1 0 241.360 0.953 10 0 BCAERO CN1CCO[C@H](C[NH2+]Cc2ccns2)C1 ZINC000404460931 385009015 /nfs/dbraw/zinc/00/90/15/385009015.db2.gz SXWQMWFUCYTHRI-SECBINFHSA-N 1 0 227.333 0.563 10 0 BCAERO C[C@@H]([NH3+])[C@H](C)Nc1cn[nH]c(=O)c1Cl ZINC000307428303 385010383 /nfs/dbraw/zinc/01/03/83/385010383.db2.gz TXXMNENGWAQZAZ-UHNVWZDZSA-N 1 0 216.672 0.571 10 0 BCAERO Cn1cccc1CN1CCO[C@@H](C[NH+](C)C)C1 ZINC000128192907 385011022 /nfs/dbraw/zinc/01/10/22/385011022.db2.gz VMVKJHPCOZEWFP-ZDUSSCGKSA-N 1 0 237.347 0.788 10 0 BCAERO Cc1cnn(CC[NH2+]Cc2ccnn2C)c1 ZINC000165111746 385068972 /nfs/dbraw/zinc/06/89/72/385068972.db2.gz OGROITKUFGJRQG-UHFFFAOYSA-N 1 0 219.292 0.715 10 0 BCAERO CC(=O)CCC(=O)N(C)C[C@H]1CC[N@H+](C)C1 ZINC000203584808 385070637 /nfs/dbraw/zinc/07/06/37/385070637.db2.gz GHDJVMAEGNLBED-NSHDSACASA-N 1 0 226.320 0.766 10 0 BCAERO CCS[C@@H]1CCC[C@@H]1NC(=O)[C@@H]([NH3+])COC ZINC000233977164 385081510 /nfs/dbraw/zinc/08/15/10/385081510.db2.gz ZOMGAVYHVAHENZ-LPEHRKFASA-N 1 0 246.376 0.751 10 0 BCAERO CC[S@@](=O)CCN1CCC([NH3+])CC1 ZINC000058827252 385027785 /nfs/dbraw/zinc/02/77/85/385027785.db2.gz ZVMZEUJUVXSUQO-ZDUSSCGKSA-N 1 0 204.339 0.178 10 0 BCAERO Nc1nc(Cl)cc(NN2CCOCC2)[nH+]1 ZINC000058825062 385029090 /nfs/dbraw/zinc/02/90/90/385029090.db2.gz LUDJXVJRYAGZBC-UHFFFAOYSA-N 1 0 229.671 0.371 10 0 BCAERO CN(CC1CC[NH2+]CC1)c1ncccn1 ZINC000086703935 385040906 /nfs/dbraw/zinc/04/09/06/385040906.db2.gz UUFUVSILPDZPNU-UHFFFAOYSA-N 1 0 206.293 0.912 10 0 BCAERO CN(C)c1nccc(N2C[C@@H](F)C[C@@H]2C[NH3+])n1 ZINC000407986762 385109811 /nfs/dbraw/zinc/10/98/11/385109811.db2.gz HUHDAUQJXYGYPH-DTWKUNHWSA-N 1 0 239.298 0.418 10 0 BCAERO CN(C)c1ncnc(N)c1Br ZINC000234239501 385116007 /nfs/dbraw/zinc/11/60/07/385116007.db2.gz YXUYKGIJQGZHRV-UHFFFAOYSA-N 1 0 217.070 0.887 10 0 BCAERO Cc1ccnc(N2CCC[C@H](C[NH3+])C2)n1 ZINC000061859626 385142533 /nfs/dbraw/zinc/14/25/33/385142533.db2.gz UYDOBAKEJSPZLR-SNVBAGLBSA-N 1 0 206.293 0.960 10 0 BCAERO CO[C@@H]1CN(C(=O)[C@@H]2C[NH2+]C[C@H]2C)CC[C@@H]1C ZINC000235013343 385088544 /nfs/dbraw/zinc/08/85/44/385088544.db2.gz RCMDJYPOWIGTTM-IRCOFANPSA-N 1 0 240.347 0.725 10 0 BCAERO CC[C@](C)(O)C[N@H+](C)C[C@@H](C)C(=O)OC ZINC000119486685 385092862 /nfs/dbraw/zinc/09/28/62/385092862.db2.gz ZUIAYZIRENXKMG-KOLCDFICSA-N 1 0 217.309 0.888 10 0 BCAERO c1cn2c(n1)CC[C@@H]([NH2+]Cc1cc[nH]n1)C2 ZINC000377523893 385096038 /nfs/dbraw/zinc/09/60/38/385096038.db2.gz MLBUUXYZLZJNSY-SNVBAGLBSA-N 1 0 217.276 0.711 10 0 BCAERO C[C@H]1[C@H]([NH3+])CCN1C(=O)c1ccc2n[nH]nc2c1 ZINC000647045147 385182008 /nfs/dbraw/zinc/18/20/08/385182008.db2.gz APCWXZSJBGIUAO-IONNQARKSA-N 1 0 245.286 0.520 10 0 BCAERO CC(C)[C@@H]([NH3+])C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000227454141 385143929 /nfs/dbraw/zinc/14/39/29/385143929.db2.gz BNWBCLOOZVWAIW-SDDRHHMPSA-N 1 0 239.363 0.665 10 0 BCAERO Cc1nnc2ccc(N3CC[C@@H]([NH+](C)C)C3)nn12 ZINC000109319593 385149735 /nfs/dbraw/zinc/14/97/35/385149735.db2.gz ORZDHCVWSMZRSU-SNVBAGLBSA-N 1 0 246.318 0.573 10 0 BCAERO C[C@H](C(=O)NC[C@H]1C[NH2+]C[C@@H]1O)c1ccccc1 ZINC000647040165 385176099 /nfs/dbraw/zinc/17/60/99/385176099.db2.gz NNQNPPJDXVNDCS-UHTWSYAYSA-N 1 0 248.326 0.487 10 0 BCAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)c1ccc2n[nH]nc2c1 ZINC000647045146 385180124 /nfs/dbraw/zinc/18/01/24/385180124.db2.gz APCWXZSJBGIUAO-APPZFPTMSA-N 1 0 245.286 0.520 10 0 BCAERO Cn1cccc(NC(=O)[C@H]2CCC[C@H]([NH3+])C2)c1=O ZINC000157586757 385223584 /nfs/dbraw/zinc/22/35/84/385223584.db2.gz YOJXHGUWQDIJAK-UWVGGRQHSA-N 1 0 249.314 0.841 10 0 BCAERO [NH3+][C@@H]1CC[C@H](C(=O)NC[C@@H]2CCCOC2)C1 ZINC000227795872 385238768 /nfs/dbraw/zinc/23/87/68/385238768.db2.gz UJORJBVJKFCLDC-GARJFASQSA-N 1 0 226.320 0.657 10 0 BCAERO CC[C@@H](O)CN1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000246829062 385240434 /nfs/dbraw/zinc/24/04/34/385240434.db2.gz CROXCFRPUAOSNJ-GRYCIOLGSA-N 1 0 212.337 0.926 10 0 BCAERO CCC[C@H]([NH3+])C(=O)NCCCSC ZINC000069013831 385242947 /nfs/dbraw/zinc/24/29/47/385242947.db2.gz DUIAYAWCWOJVBC-QMMMGPOBSA-N 1 0 204.339 0.983 10 0 BCAERO CO[C@H]1C[C@H](CO)[N@H+](Cc2cnn(C)c2)C1 ZINC000343973858 385244273 /nfs/dbraw/zinc/24/42/73/385244273.db2.gz HHGTUCRSPBICFG-MNOVXSKESA-N 1 0 225.292 0.002 10 0 BCAERO COC(=O)CN1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000247242738 385308212 /nfs/dbraw/zinc/30/82/12/385308212.db2.gz NDIZXCCHANHPAX-ZJUUUORDSA-N 1 0 212.293 0.328 10 0 BCAERO C[C@H]1CC[C@H](NC(=O)[C@@H]2CCCO2)C[NH2+]1 ZINC000164687259 385270571 /nfs/dbraw/zinc/27/05/71/385270571.db2.gz KIIUIHQDILFZCJ-GUBZILKMSA-N 1 0 212.293 0.422 10 0 BCAERO C[N@H+](CCO)[C@H]1CCCN(c2cccnn2)C1 ZINC000177708652 385273268 /nfs/dbraw/zinc/27/32/68/385273268.db2.gz NTPTUEFTGSYQIW-NSHDSACASA-N 1 0 236.319 0.370 10 0 BCAERO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CN(C)CCO2)[C@@H]1C ZINC000308903734 385276594 /nfs/dbraw/zinc/27/65/94/385276594.db2.gz KUKCJAFRDCEMSE-KKOKHZNYSA-N 1 0 212.337 0.951 10 0 BCAERO CO[C@H](C)C[N@@H+]1C[C@@H](OC)C[C@@H]1CO ZINC000344681849 385290024 /nfs/dbraw/zinc/29/00/24/385290024.db2.gz SNXSBJJILIOVER-BBBLOLIVSA-N 1 0 203.282 0.103 10 0 BCAERO COCCC1(C(=O)N2CC[C@@H]([NH+](C)C)C2)CC1 ZINC000161573172 385364887 /nfs/dbraw/zinc/36/48/87/385364887.db2.gz AFUDQBYHCMGTED-LLVKDONJSA-N 1 0 240.347 0.966 10 0 BCAERO COCCC1(C(=O)N2CC[C@H]([NH+](C)C)C2)CC1 ZINC000161573304 385365042 /nfs/dbraw/zinc/36/50/42/385365042.db2.gz AFUDQBYHCMGTED-NSHDSACASA-N 1 0 240.347 0.966 10 0 BCAERO CNC(=O)[C@H](NC(=O)C[N@H+](C)C(C)C)C(C)C ZINC000179124880 385365222 /nfs/dbraw/zinc/36/52/22/385365222.db2.gz FOMJYNNOVHJCDT-LLVKDONJSA-N 1 0 243.351 0.213 10 0 BCAERO CC(C)CC[N@@H+]1CCC[C@@](O)(C(N)=O)C1 ZINC000309032549 385381095 /nfs/dbraw/zinc/38/10/95/385381095.db2.gz CPNQXYAPPDWUAO-NSHDSACASA-N 1 0 214.309 0.345 10 0 BCAERO c1cn2c(n1)CC[C@H]([NH2+][C@@H]1CCOC1)C2 ZINC000308985550 385325993 /nfs/dbraw/zinc/32/59/93/385325993.db2.gz JNLXZHVXHJFXKC-VHSXEESVSA-N 1 0 207.277 0.576 10 0 BCAERO C[C@H]([NH3+])[C@H](C)C(=O)NC[C@@H]1CCC[C@@H]1O ZINC000165524814 385397000 /nfs/dbraw/zinc/39/70/00/385397000.db2.gz KRXTWGGYVIGNLN-XKNYDFJKSA-N 1 0 214.309 0.247 10 0 BCAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]CC1(O)CCC1 ZINC000309149442 385439214 /nfs/dbraw/zinc/43/92/14/385439214.db2.gz WBGMWBKHAJCHRQ-IUCAKERBSA-N 1 0 212.293 0.158 10 0 BCAERO C[NH2+][C@H](C)C(=O)N(C)Cc1cccnc1 ZINC000054072323 385446902 /nfs/dbraw/zinc/44/69/02/385446902.db2.gz OJHIWJMHSNIBIP-SECBINFHSA-N 1 0 207.277 0.648 10 0 BCAERO C[NH+](C)[C@@H]1CCN(C(=O)NCc2ccncc2)C1 ZINC000170861525 385450651 /nfs/dbraw/zinc/45/06/51/385450651.db2.gz RNAGPNJYKHHTCV-GFCCVEGCSA-N 1 0 248.330 0.927 10 0 BCAERO C[NH+](C)[C@H]1CCN(C(=O)CCn2cccn2)C1 ZINC000170867729 385450887 /nfs/dbraw/zinc/45/08/87/385450887.db2.gz IDTFZLJQRWAIRL-NSHDSACASA-N 1 0 236.319 0.436 10 0 BCAERO CN[C@@]1(C(=O)OC)CC[N@@H+]2CCC[C@@H]2C1 ZINC000156495513 385454150 /nfs/dbraw/zinc/45/41/50/385454150.db2.gz OOTNFYHXLZXZPX-KOLCDFICSA-N 1 0 212.293 0.376 10 0 BCAERO CCC[C@H](C(=O)NCCc1ncc[nH]1)[NH+](C)C ZINC000179267429 385455821 /nfs/dbraw/zinc/45/58/21/385455821.db2.gz UJAQNDMIBNEVQH-SNVBAGLBSA-N 1 0 238.335 0.799 10 0 BCAERO CC(=O)NCCNC1=[NH+]C[C@@H](C)S1 ZINC000036746539 385467647 /nfs/dbraw/zinc/46/76/47/385467647.db2.gz YLKOZIACADPLMQ-ZCFIWIBFSA-N 1 0 201.295 0.203 10 0 BCAERO CSCC[NH2+][C@@H]1CCC(=O)N[C@H]1C ZINC000308184967 385480006 /nfs/dbraw/zinc/48/00/06/385480006.db2.gz INSNZYFHHUPHEW-JGVFFNPUSA-N 1 0 202.323 0.606 10 0 BCAERO C[C@@H]1OCC[C@H]1NC(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000644105302 385481743 /nfs/dbraw/zinc/48/17/43/385481743.db2.gz MJYOSMYMPCFMKA-XHNCKOQMSA-N 1 0 248.273 0.525 10 0 BCAERO Cc1cc(CN2CCO[C@H](C[NH+](C)C)C2)on1 ZINC000171637031 385503473 /nfs/dbraw/zinc/50/34/73/385503473.db2.gz YLANWNDDKNBTDQ-GFCCVEGCSA-N 1 0 239.319 0.745 10 0 BCAERO C[C@@H](Cn1cccn1)[NH2+]C[C@H]1CN(C)CCO1 ZINC000106388208 385508175 /nfs/dbraw/zinc/50/81/75/385508175.db2.gz SAMJOFXVIRNSES-RYUDHWBXSA-N 1 0 238.335 0.192 10 0 BCAERO [NH3+][C@@H]1CC[C@@H](CNC(=O)C(F)(F)F)C1 ZINC000257701607 385489187 /nfs/dbraw/zinc/48/91/87/385489187.db2.gz YELSGQDUMHFYHE-PHDIDXHHSA-N 1 0 210.199 0.792 10 0 BCAERO CO[C@@H](C)CCC(=O)NC[C@@H]1CC[NH2+]C1 ZINC000166790265 385541879 /nfs/dbraw/zinc/54/18/79/385541879.db2.gz MDBDSPHBMUEVSW-VHSXEESVSA-N 1 0 214.309 0.527 10 0 BCAERO O[C@H]1C[NH2+]C[C@H]1CNc1nccc2occc21 ZINC000643040051 385542761 /nfs/dbraw/zinc/54/27/61/385542761.db2.gz BDQOZDAMNYZFIL-WPRPVWTQSA-N 1 0 233.271 0.820 10 0 BCAERO O[C@H]1C[NH2+]C[C@H]1CNc1ccnc2cccnc21 ZINC000643040262 385542905 /nfs/dbraw/zinc/54/29/05/385542905.db2.gz NZSYEXLGFNCLHS-CABZTGNLSA-N 1 0 244.298 0.044 10 0 BCAERO [NH3+]C1(C[C@@H]2CCCS2(=O)=O)CCC1 ZINC000257987204 385522537 /nfs/dbraw/zinc/52/25/37/385522537.db2.gz LJMJHVCRDRFOMI-QMMMGPOBSA-N 1 0 203.307 0.835 10 0 BCAERO Cc1nccn1CC[NH2+][C@@H]1CCC(=O)N[C@@H]1C ZINC000282274136 385553486 /nfs/dbraw/zinc/55/34/86/385553486.db2.gz HVDNBWYUBRKAIH-MWLCHTKSSA-N 1 0 236.319 0.448 10 0 BCAERO C[C@@H](CC(N)=O)[NH2+]C[C@@H]1CC12CCOCC2 ZINC000309387404 385560004 /nfs/dbraw/zinc/56/00/04/385560004.db2.gz FFEVWFOGZJQESD-UWVGGRQHSA-N 1 0 226.320 0.657 10 0 BCAERO C[C@@H](CC(N)=O)[NH2+]C[C@H]1CC12CCOCC2 ZINC000309387406 385560096 /nfs/dbraw/zinc/56/00/96/385560096.db2.gz FFEVWFOGZJQESD-VHSXEESVSA-N 1 0 226.320 0.657 10 0 BCAERO C[NH2+][C@H](C)C(=O)N1C[C@H](C)OC(C)(C)C1 ZINC000054076838 385594620 /nfs/dbraw/zinc/59/46/20/385594620.db2.gz JOYRLMVFYJMWJG-DTWKUNHWSA-N 1 0 214.309 0.620 10 0 BCAERO C[C@@H]([NH3+])CCNC(=O)[C@@H]1CCCCO1 ZINC000063169985 385596167 /nfs/dbraw/zinc/59/61/67/385596167.db2.gz GZGSSSXTSIIYLJ-BDAKNGLRSA-N 1 0 200.282 0.409 10 0 BCAERO C[NH2+][C@H](C)C(=O)N(C)Cc1ccccn1 ZINC000054072331 385596378 /nfs/dbraw/zinc/59/63/78/385596378.db2.gz BJBIZJUYSVRXLB-SECBINFHSA-N 1 0 207.277 0.648 10 0 BCAERO COC(=O)CCN1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000063196045 385612995 /nfs/dbraw/zinc/61/29/95/385612995.db2.gz KLCXGOYCBMFACY-NXEZZACHSA-N 1 0 214.309 0.751 10 0 BCAERO CCS(=O)(=O)N1CC[C@@H]([NH3+])C1(C)C ZINC000259108294 385644505 /nfs/dbraw/zinc/64/45/05/385644505.db2.gz KOAZGNZBDCVLPB-SSDOTTSWSA-N 1 0 206.311 0.148 10 0 BCAERO CC(C)[C@@H](C[NH3+])N1C(=O)CC(C)CC1=O ZINC000082641909 168139377 /nfs/dbraw/zinc/13/93/77/168139377.db2.gz MJEXSIXNDFPVNE-SECBINFHSA-N 1 0 212.293 0.755 10 0 BCAERO CC(C)C[C@@H](C)[N@@H+]1CCC[C@@](O)(C(N)=O)C1 ZINC000336652797 385658787 /nfs/dbraw/zinc/65/87/87/385658787.db2.gz JAPLIIADYCTONF-PWSUYJOCSA-N 1 0 228.336 0.733 10 0 BCAERO [NH3+][C@H]1CCc2nc(NC3CC3)ncc2C1 ZINC000253579647 385683545 /nfs/dbraw/zinc/68/35/45/385683545.db2.gz ZWPDHAYKDAKZLP-QMMMGPOBSA-N 1 0 204.277 0.867 10 0 BCAERO COCc1ccc2cnn(CC[NH3+])c2c1N ZINC000211469511 385683959 /nfs/dbraw/zinc/68/39/59/385683959.db2.gz LXTQBYKWXBEOFD-UHFFFAOYSA-N 1 0 220.276 0.724 10 0 BCAERO C[C@H]([NH2+][C@H]1CCOC[C@H]1C)c1ncnn1C ZINC000309549770 385690134 /nfs/dbraw/zinc/69/01/34/385690134.db2.gz HUWCFKFSBSQTMQ-UTLUCORTSA-N 1 0 224.308 0.891 10 0 BCAERO COC(=O)[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000306948567 385669554 /nfs/dbraw/zinc/66/95/54/385669554.db2.gz UANOHAVRSZZHRC-LLVKDONJSA-N 1 0 223.272 0.652 10 0 BCAERO C[C@H]([NH2+]C[C@H]1CCCn2ccnc21)C(N)=O ZINC000309609802 385739562 /nfs/dbraw/zinc/73/95/62/385739562.db2.gz ZPOOUILTTQZKRR-DTWKUNHWSA-N 1 0 222.292 0.224 10 0 BCAERO C[NH+](C)[C@@H]1CCN(C(=O)Nc2ccon2)C1 ZINC000183520132 385767026 /nfs/dbraw/zinc/76/70/26/385767026.db2.gz SXBFWWSRWKGCSB-MRVPVSSYSA-N 1 0 224.264 0.842 10 0 BCAERO CC(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)CC(N)=O ZINC000309667150 385784508 /nfs/dbraw/zinc/78/45/08/385784508.db2.gz IJVHBFVCTYNNCY-FOGDFJRCSA-N 1 0 228.336 0.901 10 0 BCAERO CC[C@H](Cn1cncn1)[NH2+][C@H]1CCO[C@@H]1C ZINC000336740746 385811965 /nfs/dbraw/zinc/81/19/65/385811965.db2.gz QKXKBLRDXMOXBL-MXWKQRLJSA-N 1 0 224.308 0.824 10 0 BCAERO CC[C@](C)(O)C[NH2+][C@@H]1CCC(=O)N[C@H]1C ZINC000336737912 385826125 /nfs/dbraw/zinc/82/61/25/385826125.db2.gz QRVKIFJUZCVNIA-NGZCFLSTSA-N 1 0 214.309 0.404 10 0 BCAERO CC(C)N1CC[NH2+]C[C@H]1c1cccnn1 ZINC000616636486 385831738 /nfs/dbraw/zinc/83/17/38/385831738.db2.gz BNOZPDXIIRIBAH-NSHDSACASA-N 1 0 206.293 0.831 10 0 BCAERO O=CN[C@@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000307016526 385835995 /nfs/dbraw/zinc/83/59/95/385835995.db2.gz RMRPBDSMCYPGCA-ITGUQSILSA-N 1 0 216.284 0.863 10 0 BCAERO Cc1cnn(CCNC(=O)[C@]2(C)CC[NH2+]C2)c1 ZINC000235941261 259675976 /nfs/dbraw/zinc/67/59/76/259675976.db2.gz XXLGUCZRRJYBFF-GFCCVEGCSA-N 1 0 236.319 0.307 10 0 BCAERO COC[C@@H](C)[NH2+]C[C@H](C)N1CCOCC1 ZINC000123548270 385889846 /nfs/dbraw/zinc/88/98/46/385889846.db2.gz OGCZSHUZPACZDN-MNOVXSKESA-N 1 0 216.325 0.332 10 0 BCAERO COC[C@H](C)[NH2+]C[C@H](C)N1CCOCC1 ZINC000123547815 385889971 /nfs/dbraw/zinc/88/99/71/385889971.db2.gz OGCZSHUZPACZDN-QWRGUYRKSA-N 1 0 216.325 0.332 10 0 BCAERO C[C@@H]([NH3+])C(=O)N[C@H]1CC[C@@H](C)SC1 ZINC000575534191 385893340 /nfs/dbraw/zinc/89/33/40/385893340.db2.gz IBWLKMKHUSBMJI-PRJMDXOYSA-N 1 0 202.323 0.734 10 0 BCAERO CC1CN(C(=O)[C@@H]2CSCC[NH2+]2)C1 ZINC000575534856 385901066 /nfs/dbraw/zinc/90/10/66/385901066.db2.gz RHVBKJAHIKXDLR-QMMMGPOBSA-N 1 0 200.307 0.170 10 0 BCAERO CC(C)n1nnnc1CN1CCC[C@H]1C[NH3+] ZINC000647853443 385904473 /nfs/dbraw/zinc/90/44/73/385904473.db2.gz OKFGTJOWEGZDSU-VIFPVBQESA-N 1 0 224.312 0.177 10 0 BCAERO C[NH+](C)[C@@H]1CCN(C(=O)NCC2(C)COC2)C1 ZINC000112753068 385907347 /nfs/dbraw/zinc/90/73/47/385907347.db2.gz GFYRFUGCKLIQFF-SNVBAGLBSA-N 1 0 241.335 0.368 10 0 BCAERO CS[C@H](C)CNC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000122398191 385913985 /nfs/dbraw/zinc/91/39/85/385913985.db2.gz JGBLJZYQBLOJRO-HLTSFMKQSA-N 1 0 216.350 0.982 10 0 BCAERO [NH3+][C@@H]1CC[C@H](C(=O)NC[C@H]2CCCCO2)C1 ZINC000250802888 385926610 /nfs/dbraw/zinc/92/66/10/385926610.db2.gz BTMGSFLNBANYOK-HBNTYKKESA-N 1 0 226.320 0.799 10 0 BCAERO C[C@@H]1C[C@H](N2C[C@@H]([NH3+])CC2=O)CS1 ZINC000307128345 385927297 /nfs/dbraw/zinc/92/72/97/385927297.db2.gz DYFQHDMPYYICHO-CSMHCCOUSA-N 1 0 200.307 0.440 10 0 BCAERO CC(C)[C@H]1OCC[C@H]1CNC(=O)[C@@H](C)[NH3+] ZINC000121777396 385862325 /nfs/dbraw/zinc/86/23/25/385862325.db2.gz PIIQFDWUKLZRNO-KXUCPTDWSA-N 1 0 214.309 0.511 10 0 BCAERO Cc1cc(NC2CC[NH+](CCO)CC2)ncn1 ZINC000585554939 385875245 /nfs/dbraw/zinc/87/52/45/385875245.db2.gz LDENWYARJUSARN-UHFFFAOYSA-N 1 0 236.319 0.654 10 0 BCAERO CO[C@H]1C[C@@H](C(N)=O)N(Cc2cccn2C)C1 ZINC000284654563 385879788 /nfs/dbraw/zinc/87/97/88/385879788.db2.gz VQZCFOWJTUNZHT-QWRGUYRKSA-N 1 0 237.303 0.100 10 0 BCAERO O=C1CCCN1C[C@@H](O)C[NH+]1CCCCC1 ZINC000111683145 385980039 /nfs/dbraw/zinc/98/00/39/385980039.db2.gz VWZGPBHCADIETH-NSHDSACASA-N 1 0 226.320 0.456 10 0 BCAERO Cc1cnn(CC[NH2+][C@H]2CCO[C@@H]2C)c1 ZINC000124062618 385982917 /nfs/dbraw/zinc/98/29/17/385982917.db2.gz AJPKDHBRSRAJTK-MNOVXSKESA-N 1 0 209.293 0.959 10 0 BCAERO CC[NH2+][C@H](C)C(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000309031928 385942669 /nfs/dbraw/zinc/94/26/69/385942669.db2.gz FIZRPSHNEAFWJM-OPRDCNLKSA-N 1 0 214.309 0.620 10 0 BCAERO CCn1c(C)nnc1CN1CCC(C)([NH3+])CC1 ZINC000647924882 385958603 /nfs/dbraw/zinc/95/86/03/385958603.db2.gz SQLHBFBCBXASOG-UHFFFAOYSA-N 1 0 237.351 0.920 10 0 BCAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]C[C@@H]1CCSC1 ZINC000336746761 385964672 /nfs/dbraw/zinc/96/46/72/385964672.db2.gz BYFOKVWPRMMJPT-GUBZILKMSA-N 1 0 228.361 0.996 10 0 BCAERO C[C@@H]1CN(C(=O)c2ccncc2)C[C@H]1C[NH3+] ZINC000638893625 386008453 /nfs/dbraw/zinc/00/84/53/386008453.db2.gz LOQVUZUGFYOJBE-MWLCHTKSSA-N 1 0 219.288 0.748 10 0 BCAERO CC[C@](C)(O)C[N@@H+]1C[C@@H](C)C[C@H](O)C1 ZINC000307692178 386020639 /nfs/dbraw/zinc/02/06/39/386020639.db2.gz RHJGWTFZMGZSIQ-DCAQKATOSA-N 1 0 201.310 0.850 10 0 BCAERO COC(=O)CCCN1C[C@H]([NH+](C)C)[C@@H](C)C1 ZINC000124430651 386050700 /nfs/dbraw/zinc/05/07/00/386050700.db2.gz POJCMFGFPOVGQS-QWRGUYRKSA-N 1 0 228.336 0.822 10 0 BCAERO C[C@@H]([NH3+])CC(=O)N(CCO)Cc1ccccc1 ZINC000037809315 386102461 /nfs/dbraw/zinc/10/24/61/386102461.db2.gz ATBRARSTPFDYAJ-LLVKDONJSA-N 1 0 236.315 0.745 10 0 BCAERO C[C@H]1[C@H]([NH3+])CCN1Cc1c(Cl)cnn1C ZINC000334592217 386096843 /nfs/dbraw/zinc/09/68/43/386096843.db2.gz GLSRANJVKDHDLI-IONNQARKSA-N 1 0 228.727 0.995 10 0 BCAERO C[C@H](CC[NH3+])N1C[C@@H](C)CS1(=O)=O ZINC000224942811 386156692 /nfs/dbraw/zinc/15/66/92/386156692.db2.gz LOVYHPXWQPUHCU-HTQZYQBOSA-N 1 0 206.311 0.005 10 0 BCAERO CCC[C@H](NC(=O)[C@H]1CCC[C@H]([NH3+])C1)C(N)=O ZINC000310199944 386159932 /nfs/dbraw/zinc/15/99/32/386159932.db2.gz GXNOKPQGJQBQQJ-GUBZILKMSA-N 1 0 241.335 0.274 10 0 BCAERO CCO[C@@H]1C[C@@H]1C(=O)N1CCC[C@H](C[NH2+]C)C1 ZINC000262504967 386160440 /nfs/dbraw/zinc/16/04/40/386160440.db2.gz JTAYBUUXGBUWGY-GRYCIOLGSA-N 1 0 240.347 0.869 10 0 BCAERO O=S1(=O)CCC(CC2C[NH2+]C2)CC1 ZINC000575574434 386165760 /nfs/dbraw/zinc/16/57/60/386165760.db2.gz SIRGSCBVXBJQSJ-UHFFFAOYSA-N 1 0 203.307 0.421 10 0 BCAERO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1C(=O)N1CC[C@H]([NH3+])[C@H]1C ZINC000310299496 386170816 /nfs/dbraw/zinc/17/08/16/386170816.db2.gz PVTHSKAZUVMNCR-XZPZHEHLSA-N 1 0 240.347 0.994 10 0 BCAERO CC1(C)C[C@@H]([S@](=O)C2C[NH2+]C2)CO1 ZINC000575576410 386187203 /nfs/dbraw/zinc/18/72/03/386187203.db2.gz SQBNCASTWIMRTF-UHLUBPPHSA-N 1 0 203.307 0.274 10 0 BCAERO CNS(=O)(=O)CC[NH2+][C@H](C)[C@H]1C[C@@H]1C ZINC000322224288 386131976 /nfs/dbraw/zinc/13/19/76/386131976.db2.gz XZJYCXOACAJQCG-YIZRAAEISA-N 1 0 220.338 0.170 10 0 BCAERO Cn1ccc(C[NH2+]C[C@@H]2CCC[C@@H]2O)n1 ZINC000097604821 386132166 /nfs/dbraw/zinc/13/21/66/386132166.db2.gz MGBJLEHGDVFSBA-ONGXEEELSA-N 1 0 209.293 0.671 10 0 BCAERO COC(=O)c1ccc(CN2CCC[C@@H]2C[NH3+])o1 ZINC000131856789 386224743 /nfs/dbraw/zinc/22/47/43/386224743.db2.gz CULQWRZDUPHFPH-SECBINFHSA-N 1 0 238.287 0.989 10 0 BCAERO Cc1c(C[NH2+]C[C@@H]2CC[C@@H](O)C2)cnn1C ZINC000235815535 386192990 /nfs/dbraw/zinc/19/29/90/386192990.db2.gz CLLBSQUXCTXRSP-ZYHUDNBSSA-N 1 0 223.320 0.979 10 0 BCAERO COC(=O)[C@H](NC(=O)[C@H]1CC[C@H]([NH3+])C1)C(C)C ZINC000091548484 386300684 /nfs/dbraw/zinc/30/06/84/386300684.db2.gz ZVKNYUGNPQFUGI-LPEHRKFASA-N 1 0 242.319 0.428 10 0 BCAERO Cc1cncc(C[N@@H+]2C[C@H](O)C[C@@H]2CO)c1 ZINC000276022394 386262826 /nfs/dbraw/zinc/26/28/26/386262826.db2.gz KWFUAPHMHFLPOK-VXGBXAGGSA-N 1 0 222.288 0.318 10 0 BCAERO CO[C@@H]1C[C@@H](CO)[N@H+](CCOC2CCC2)C1 ZINC000347175313 386269042 /nfs/dbraw/zinc/26/90/42/386269042.db2.gz CVJAXOYBACTBKH-CMPLNLGQSA-N 1 0 229.320 0.637 10 0 BCAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]Cc1ncc[nH]1 ZINC000336774216 386349904 /nfs/dbraw/zinc/34/99/04/386349904.db2.gz ZKAKTOCQQHPTHA-JGVFFNPUSA-N 1 0 208.265 0.166 10 0 BCAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]C/C=C/Cl ZINC000282197908 386396536 /nfs/dbraw/zinc/39/65/36/386396536.db2.gz CMHTVRHECSMXKS-ZASJQLQOSA-N 1 0 202.685 0.996 10 0 BCAERO CCOc1cncc(NC[C@H]2C[NH2+]CCO2)n1 ZINC000134265733 386403567 /nfs/dbraw/zinc/40/35/67/386403567.db2.gz HSDNDCPTDXJNNL-SECBINFHSA-N 1 0 238.291 0.276 10 0 BCAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]C1CCN(C)CC1 ZINC000336776655 386406355 /nfs/dbraw/zinc/40/63/55/386406355.db2.gz GGADCLPXMYEGNS-GXSJLCMTSA-N 1 0 225.336 0.337 10 0 BCAERO O=C1CCCN1CC[N@H+]1CC[C@H](CCO)C1 ZINC000336708615 386417599 /nfs/dbraw/zinc/41/75/99/386417599.db2.gz VQUWKTYSYPZINH-LLVKDONJSA-N 1 0 226.320 0.313 10 0 BCAERO CC(C)NC(=O)C[N@@H+]1C[C@H](O)CC[C@@H]1C ZINC000399151420 386423405 /nfs/dbraw/zinc/42/34/05/386423405.db2.gz GGNKVLZDAFXRFL-VHSXEESVSA-N 1 0 214.309 0.356 10 0 BCAERO COC(=O)[C@@H]1CCCCN1C(=O)[C@H]1CC[NH2+]C1 ZINC000062114713 386502847 /nfs/dbraw/zinc/50/28/47/386502847.db2.gz WFSVFYHKDBLRTQ-UWVGGRQHSA-N 1 0 240.303 0.150 10 0 BCAERO O=C([C@@H]1CC[NH2+]C1)N1CCCSCC1 ZINC000062116408 386503534 /nfs/dbraw/zinc/50/35/34/386503534.db2.gz LXTLACCQOGQENK-SECBINFHSA-N 1 0 214.334 0.561 10 0 BCAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)N1CCn2ccnc2C1 ZINC000062254753 386508101 /nfs/dbraw/zinc/50/81/01/386508101.db2.gz CTVWTCINZUDBMM-MWLCHTKSSA-N 1 0 236.319 0.599 10 0 BCAERO CC(C)(C[NH3+])C(=O)N1CCN2CCCC[C@H]2C1 ZINC000094439476 386454580 /nfs/dbraw/zinc/45/45/80/386454580.db2.gz ZEMUONDRJHTEBP-NSHDSACASA-N 1 0 239.363 0.668 10 0 BCAERO CCS(=O)(=O)N1C[C@@H](C)[C@H]([NH+](C)C)C1 ZINC000124013688 386592681 /nfs/dbraw/zinc/59/26/81/386592681.db2.gz KGCSOCQCOLQIHX-RKDXNWHRSA-N 1 0 220.338 0.218 10 0 BCAERO C[C@]1(CN2CCn3ccnc3C2)CC[NH2+]C1 ZINC000062912545 386532960 /nfs/dbraw/zinc/53/29/60/386532960.db2.gz RBGGYAXSXZPNHP-LBPRGKRZSA-N 1 0 220.320 0.698 10 0 BCAERO C[C@@H]1C[C@@H](C[NH2+]CCC(N)=O)C[C@H](C)O1 ZINC000519699558 386535996 /nfs/dbraw/zinc/53/59/96/386535996.db2.gz KJWIPLBIQDOKOV-ILWJIGKKSA-N 1 0 214.309 0.655 10 0 BCAERO Nc1cc[nH+]cc1C(=O)N[C@H]1CCC[C@@H](O)C1 ZINC000647979576 386666206 /nfs/dbraw/zinc/66/62/06/386666206.db2.gz ZSKHSOCUNWUJOE-DTWKUNHWSA-N 1 0 235.287 0.527 10 0 BCAERO C[C@H](Nc1ccnc(C(N)=O)c1)[C@H]1CCC[NH2+]C1 ZINC000050163775 386689134 /nfs/dbraw/zinc/68/91/34/386689134.db2.gz KJMRMHYZKVJXQH-UWVGGRQHSA-N 1 0 248.330 0.981 10 0 BCAERO Cc1c(C[NH2+]C[C@](C)(O)C2CC2)cnn1C ZINC000336648342 386690718 /nfs/dbraw/zinc/69/07/18/386690718.db2.gz CLXKFKQDZOVTAK-LBPRGKRZSA-N 1 0 223.320 0.979 10 0 BCAERO CON(C)C(=O)[C@@](C)(C[NH3+])C(=O)OC(C)(C)C ZINC000575448716 386732484 /nfs/dbraw/zinc/73/24/84/386732484.db2.gz NSKYMMFDSKRROK-LLVKDONJSA-N 1 0 246.307 0.313 10 0 BCAERO C[C@H]1[N@H+](Cc2ccccc2)CC[C@]12C[NH+]=C(N)N2 ZINC000307582476 386737012 /nfs/dbraw/zinc/73/70/12/386737012.db2.gz VEAQIRNLMVPVIR-RISCZKNCSA-N 1 0 244.342 0.938 10 0 BCAERO C[C@@H]1OCC[C@@H]1NC(=O)N1CCC[C@@H]1C[NH3+] ZINC000417953447 386751696 /nfs/dbraw/zinc/75/16/96/386751696.db2.gz PODKBDIZUBAJNO-AEJSXWLSSA-N 1 0 227.308 0.297 10 0 BCAERO COC[C@@H](C)NC(=O)[C@H]1CCC[NH2+]C1 ZINC000019412882 386753179 /nfs/dbraw/zinc/75/31/79/386753179.db2.gz MNNYNTGMALYWCP-BDAKNGLRSA-N 1 0 200.282 0.137 10 0 BCAERO C[C@@H]1O[C@@H](O)C[C@H]([NH2+]Cc2ccccc2)[C@@H]1O ZINC000575448923 386754311 /nfs/dbraw/zinc/75/43/11/386754311.db2.gz ZJJLVLNCLOEXHA-FTYKPCCVSA-N 1 0 237.299 0.633 10 0 BCAERO CC1(C)C[NH2+][C@@H]1C(=O)NCC[C@@H]1CCCO1 ZINC000645333873 386742377 /nfs/dbraw/zinc/74/23/77/386742377.db2.gz KSMBVRTWHRWBJR-VHSXEESVSA-N 1 0 226.320 0.670 10 0 BCAERO CC[NH2+][C@H](C)C(=O)NC[C@H]1CCC[C@H]1O ZINC000637963440 386790978 /nfs/dbraw/zinc/79/09/78/386790978.db2.gz CFAIDFGWISCPAP-OPRDCNLKSA-N 1 0 214.309 0.262 10 0 BCAERO CC(C)[C@@H]([NH3+])C(=O)N1CCO[C@H](C)C1 ZINC000019434192 386777700 /nfs/dbraw/zinc/77/77/00/386777700.db2.gz SBUIXQYRCDFUMP-RKDXNWHRSA-N 1 0 200.282 0.217 10 0 BCAERO CCOC(=O)CNC(=O)[C@H]1CCC[NH2+][C@H]1C ZINC000395285104 386804396 /nfs/dbraw/zinc/80/43/96/386804396.db2.gz VDRLKPXGRCUAKK-IUCAKERBSA-N 1 0 228.292 0.054 10 0 BCAERO COC(=O)CCNC(=O)[C@H]1CCC[NH2+][C@H]1C ZINC000395291059 386808728 /nfs/dbraw/zinc/80/87/28/386808728.db2.gz XQXBYMQEYGEUPV-IUCAKERBSA-N 1 0 228.292 0.054 10 0 BCAERO O[C@H](c1cscn1)[C@@H]1C[NH2+]CCO1 ZINC000575453261 386808833 /nfs/dbraw/zinc/80/88/33/386808833.db2.gz DPMPNXBDCYCWQQ-JGVFFNPUSA-N 1 0 200.263 0.165 10 0 BCAERO OC1(C[N@@H+]2CC[C@H](n3ccnn3)C2)CCCC1 ZINC000585379389 386852371 /nfs/dbraw/zinc/85/23/71/386852371.db2.gz KMHAHFBITSFTHD-NSHDSACASA-N 1 0 236.319 0.830 10 0 BCAERO Cc1ccnc(N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)n1 ZINC000301688565 386867406 /nfs/dbraw/zinc/86/74/06/386867406.db2.gz XTACKNIWIQGXJM-QWRGUYRKSA-N 1 0 234.303 0.304 10 0 BCAERO [NH3+][C@H]1C[C@@H](C(=O)N[C@@H]2CCC[C@@H](O)C2)C1 ZINC000647980213 386872313 /nfs/dbraw/zinc/87/23/13/386872313.db2.gz MELOCFHBQVASIY-UTINFBMNSA-N 1 0 212.293 0.143 10 0 BCAERO Cc1cncc(N2CC[C@H]([NH+](C)C)C2)n1 ZINC000302230590 386916830 /nfs/dbraw/zinc/91/68/30/386916830.db2.gz RUCLNVGMSWUUFY-JTQLQIEISA-N 1 0 206.293 0.925 10 0 BCAERO C[NH+]1CCC(C(=O)NC[C@@H]2CCC[C@@H]2O)CC1 ZINC000334850437 386900474 /nfs/dbraw/zinc/90/04/74/386900474.db2.gz RUKDJAZJUBOBDP-RYUDHWBXSA-N 1 0 240.347 0.605 10 0 BCAERO CC[N@H+](C)[C@H]1CCN(c2ccc3nnnn3n2)C1 ZINC000302747976 386934551 /nfs/dbraw/zinc/93/45/51/386934551.db2.gz FTSLJRDUMGAGGD-VIFPVBQESA-N 1 0 247.306 0.050 10 0 BCAERO CC[N@@H+]1CC[C@@H](NC(=O)N2CCOC[C@H]2C)C1 ZINC000334823215 386953795 /nfs/dbraw/zinc/95/37/95/386953795.db2.gz VEUJYGRBJTVSQK-GHMZBOCLSA-N 1 0 241.335 0.511 10 0 BCAERO CC[N@@H+]1CC[C@H](NC(=O)N2CCOC[C@H]2C)C1 ZINC000334823216 386954074 /nfs/dbraw/zinc/95/40/74/386954074.db2.gz VEUJYGRBJTVSQK-MNOVXSKESA-N 1 0 241.335 0.511 10 0 BCAERO C[C@@H]1C[C@](N)(C(N)=O)C[N@@H+]1Cc1ccccc1 ZINC000307641610 387007347 /nfs/dbraw/zinc/00/73/47/387007347.db2.gz IQPXPIUIBQTJLA-ZWNOBZJWSA-N 1 0 233.315 0.464 10 0 BCAERO CCCNC(=O)C[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000398715227 386963667 /nfs/dbraw/zinc/96/36/67/386963667.db2.gz QDHNODSCSLFNQB-QJPTWQEYSA-N 1 0 240.347 0.605 10 0 BCAERO CCCNC(=O)C[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000398715231 386964116 /nfs/dbraw/zinc/96/41/16/386964116.db2.gz QDHNODSCSLFNQB-SDDRHHMPSA-N 1 0 240.347 0.605 10 0 BCAERO CCOC[C@H](O)C[N@@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000398734527 386976475 /nfs/dbraw/zinc/97/64/75/386976475.db2.gz WSPXADUAVOCIKS-ZDEQEGDKSA-N 1 0 243.347 0.477 10 0 BCAERO COC(=O)CC[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000398738740 386980200 /nfs/dbraw/zinc/98/02/00/386980200.db2.gz YIHQRZABQCTVRC-HBNTYKKESA-N 1 0 227.304 0.642 10 0 BCAERO Cn1cc(C[N@@H+]2C[C@@H]3CC[C@@H](O)C[C@@H]3C2)nn1 ZINC000398770979 386987997 /nfs/dbraw/zinc/98/79/97/386987997.db2.gz HBDUPXXYTBCTML-HOSYDEDBSA-N 1 0 236.319 0.408 10 0 BCAERO C[C@@H]1CC[C@@H]([NH2+][C@@H]2CNOC2)CS1 ZINC000575575250 386991767 /nfs/dbraw/zinc/99/17/67/386991767.db2.gz GGEFPODQOZMDNG-IWSPIJDZSA-N 1 0 202.323 0.764 10 0 BCAERO C[NH+](C)CC(=O)N1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000398796540 386993272 /nfs/dbraw/zinc/99/32/72/386993272.db2.gz RPJGOFPTUIVTQT-GARJFASQSA-N 1 0 226.320 0.167 10 0 BCAERO O=[S@]([C@@H]1CCOC1)C1CC[NH2+]CC1 ZINC000575576100 387004148 /nfs/dbraw/zinc/00/41/48/387004148.db2.gz KRBRYBIAKQMOFX-RNCFNFMXSA-N 1 0 203.307 0.276 10 0 BCAERO C[C@@H]1OCC[C@H]1NC(=O)N(C)C1CC([NH3+])C1 ZINC000334953927 387032470 /nfs/dbraw/zinc/03/24/70/387032470.db2.gz WINJEVXPYNQHTC-AUXWQGHOSA-N 1 0 227.308 0.295 10 0 BCAERO Cc1nnc(CC2([NH3+])CSC2)s1 ZINC000575462633 387032484 /nfs/dbraw/zinc/03/24/84/387032484.db2.gz GUOGSSVLATUIEA-UHFFFAOYSA-N 1 0 201.320 0.833 10 0 BCAERO O=C1[C@@H]2CC=CC[C@H]2C(=O)N1CC[C@@H]1CC[NH2+]C1 ZINC000216779765 387039178 /nfs/dbraw/zinc/03/91/78/387039178.db2.gz JWELQEITNWEBEN-QJPTWQEYSA-N 1 0 248.326 0.937 10 0 BCAERO COC[C@@H]([NH3+])C(=O)NCCc1ccccc1C ZINC000160015584 387041057 /nfs/dbraw/zinc/04/10/57/387041057.db2.gz XQNMVJROWZWPDY-GFCCVEGCSA-N 1 0 236.315 0.627 10 0 BCAERO CCOC[C@@H]1C[N@H+](C[C@](C)(O)CC)CCO1 ZINC000528725634 387046892 /nfs/dbraw/zinc/04/68/92/387046892.db2.gz RSUMOOPOBWKREW-NWDGAFQWSA-N 1 0 231.336 0.885 10 0 BCAERO O=C(NC1CSC1)[C@H]1CCCC[NH2+]1 ZINC000575579483 387048335 /nfs/dbraw/zinc/04/83/35/387048335.db2.gz LXFGXFVLMSNGTH-MRVPVSSYSA-N 1 0 200.307 0.360 10 0 BCAERO C[C@@H]1C[C@@H]1[C@H]([NH3+])[C@H]1CCS(=O)(=O)C1 ZINC000575580545 387052028 /nfs/dbraw/zinc/05/20/28/387052028.db2.gz DECQRIQBEMBYAC-RYPBNFRJSA-N 1 0 203.307 0.404 10 0 BCAERO O=C(C[N@H+]1C[C@@H]2CC[C@@H](O)C[C@H]2C1)N1CCC1 ZINC000398923540 387020395 /nfs/dbraw/zinc/02/03/95/387020395.db2.gz QZZXXVWQPRFANY-SDDRHHMPSA-N 1 0 238.331 0.312 10 0 BCAERO CC1=[NH+]C[C@@H](NC(=O)OC(C)(C)C)CN1 ZINC000575458000 387021959 /nfs/dbraw/zinc/02/19/59/387021959.db2.gz VEFWMOSSLDAGKR-UHFFFAOYSA-N 1 0 213.281 0.901 10 0 BCAERO C[NH2+][C@@H]1CCCN(S(=O)(=O)C(F)F)C1 ZINC000053203143 387022856 /nfs/dbraw/zinc/02/28/56/387022856.db2.gz YAYSLRODFTTZFN-ZCFIWIBFSA-N 1 0 228.264 0.223 10 0 BCAERO O[C@H](c1ccsn1)[C@@H]1C[NH2+]CCS1 ZINC000575454685 387025498 /nfs/dbraw/zinc/02/54/98/387025498.db2.gz YUXMQDHBUOROED-JGVFFNPUSA-N 1 0 216.331 0.882 10 0 BCAERO [NH3+][C@@H]1COC[C@@H]1[C@H](O)c1cnsc1 ZINC000575456490 387027387 /nfs/dbraw/zinc/02/73/87/387027387.db2.gz YQTUDJDBJPPRFS-XLPZGREQSA-N 1 0 200.263 0.150 10 0 BCAERO [NH3+][C@H]1CC[C@@H](C(=O)NC2CSC2)C1 ZINC000575576956 387029263 /nfs/dbraw/zinc/02/92/63/387029263.db2.gz AUKRYCLTPHJTQR-RQJHMYQMSA-N 1 0 200.307 0.345 10 0 BCAERO Cc1noc(CNC(=O)[C@H]2CCC[C@H]([NH3+])C2)n1 ZINC000070576845 387069385 /nfs/dbraw/zinc/06/93/85/387069385.db2.gz WROYJUZPPQRPIS-IUCAKERBSA-N 1 0 238.291 0.512 10 0 BCAERO Cn1cc(NC(=O)[C@H]2CCC[C@H]([NH3+])C2)ccc1=O ZINC000070575826 387070462 /nfs/dbraw/zinc/07/04/62/387070462.db2.gz IKUZTUIAYYOTFK-UWVGGRQHSA-N 1 0 249.314 0.841 10 0 BCAERO COCC[N@@H+]1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000246323059 387073224 /nfs/dbraw/zinc/07/32/24/387073224.db2.gz DFVKRNDEUSPOLP-VXGBXAGGSA-N 1 0 228.336 0.285 10 0 BCAERO CC[C@](C)(O)C[NH+]1CCC(C)(O)CC1 ZINC000186191181 387073537 /nfs/dbraw/zinc/07/35/37/387073537.db2.gz FPKRAIPJWMHHSK-JTQLQIEISA-N 1 0 201.310 0.994 10 0 BCAERO Cn1nc(CN2CC([NH3+])C2)cc1Cl ZINC000575469067 387087292 /nfs/dbraw/zinc/08/72/92/387087292.db2.gz DKIBUFXGJHZYNX-UHFFFAOYSA-N 1 0 200.673 0.216 10 0 BCAERO O[C@@H](c1ccsn1)[C@H]1CSCC[NH2+]1 ZINC000575470546 387102072 /nfs/dbraw/zinc/10/20/72/387102072.db2.gz CZJLNXKTLQFQCV-SFYZADRCSA-N 1 0 216.331 0.882 10 0 BCAERO O[C@@H](c1cnsc1)[C@H]1C[NH2+]CCO1 ZINC000575472490 387103499 /nfs/dbraw/zinc/10/34/99/387103499.db2.gz IOHOMPIIQYQEDD-SFYZADRCSA-N 1 0 200.263 0.165 10 0 BCAERO [NH3+]C[C@]1(N2CC[C@@H](F)C2)CCSC1 ZINC000575472092 387110025 /nfs/dbraw/zinc/11/00/25/387110025.db2.gz PMVASRRICJRKED-RKDXNWHRSA-N 1 0 204.314 0.865 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N1CCCC[C@H](C)C1 ZINC000335027775 387119977 /nfs/dbraw/zinc/11/99/77/387119977.db2.gz JRKLZTRVBWPSKY-VHSXEESVSA-N 1 0 214.309 0.609 10 0 BCAERO Cc1ccc(NC(=O)C2([NH3+])CCOCC2)nc1 ZINC000127727030 387120086 /nfs/dbraw/zinc/12/00/86/387120086.db2.gz QFVPDQZHGDNQLM-UHFFFAOYSA-N 1 0 235.287 0.836 10 0 BCAERO CC(C)(C)OC(=O)N1CCO[C@@H]2C[NH2+]C[C@H]21 ZINC000082350698 387155253 /nfs/dbraw/zinc/15/52/53/387155253.db2.gz YLMNCYATSGIUDS-RKDXNWHRSA-N 1 0 228.292 0.594 10 0 BCAERO [NH3+][C@H]1C[C@@H](CN=S2(=O)CCCC2)C1 ZINC000575478422 387161786 /nfs/dbraw/zinc/16/17/86/387161786.db2.gz FCJHKYNYMZNZSX-DTORHVGOSA-N 1 0 202.323 0.986 10 0 BCAERO [NH3+]C1CN(c2ccc(Br)nn2)C1 ZINC000575590105 387204844 /nfs/dbraw/zinc/20/48/44/387204844.db2.gz ZMKBZCJZWVZFFQ-UHFFFAOYSA-N 1 0 229.081 0.386 10 0 BCAERO CO[C@@H]1C[C@@H](CO)[N@H+](Cc2cccc(O)c2)C1 ZINC000284675364 387211674 /nfs/dbraw/zinc/21/16/74/387211674.db2.gz XLVLTMKVDPVDOC-WCQYABFASA-N 1 0 237.299 0.974 10 0 BCAERO CS(=O)(=O)CCC[N@@H+]1CCC[C@@H]1CCCO ZINC000063018015 387229187 /nfs/dbraw/zinc/22/91/87/387229187.db2.gz SPJXLIYLLYKCFP-LLVKDONJSA-N 1 0 249.376 0.658 10 0 BCAERO CCC[C@H](C(=O)NCC(C)(C)C(N)=O)[NH+](C)C ZINC000161633748 387244205 /nfs/dbraw/zinc/24/42/05/387244205.db2.gz RXLADPYTMKOUJJ-SECBINFHSA-N 1 0 243.351 0.344 10 0 BCAERO CSC[C@H](O)CN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000188067976 387248691 /nfs/dbraw/zinc/24/86/91/387248691.db2.gz ONTSTRUCJPQCRK-VXGBXAGGSA-N 1 0 244.404 0.880 10 0 BCAERO CCCOCC(=O)N1C[C@@H](C)[C@@H]([NH+](C)C)C1 ZINC000229729851 387194234 /nfs/dbraw/zinc/19/42/34/387194234.db2.gz PIJRLXPMHKJIHY-MNOVXSKESA-N 1 0 228.336 0.822 10 0 BCAERO COCCOCC(=O)N1C[C@H]([NH+](C)C)[C@@H](C)C1 ZINC000229729637 387195640 /nfs/dbraw/zinc/19/56/40/387195640.db2.gz UKFAFQCXQSYVRN-QWRGUYRKSA-N 1 0 244.335 0.058 10 0 BCAERO CCn1ccnc1C[NH2+][C@H]1CCC(=O)N[C@@H]1C ZINC000393062508 387315892 /nfs/dbraw/zinc/31/58/92/387315892.db2.gz VIVVMBREOHNFJL-ZJUUUORDSA-N 1 0 236.319 0.660 10 0 BCAERO CC(C)(C)OC(=O)N[C@@H]1[C@H]([NH3+])[C@H]2CCO[C@@H]21 ZINC000575488428 387260077 /nfs/dbraw/zinc/26/00/77/387260077.db2.gz ZVGRCWXQTQQIAV-BGZDPUMWSA-N 1 0 228.292 0.626 10 0 BCAERO C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CC(F)(F)CN2)C1 ZINC000645685075 387267480 /nfs/dbraw/zinc/26/74/80/387267480.db2.gz SNQJRGLJHWYQHG-BDAKNGLRSA-N 1 0 247.289 0.194 10 0 BCAERO C[C@H]1C[NH+](CC(N)=S)C[C@H](C)C1O ZINC000575491257 387277078 /nfs/dbraw/zinc/27/70/78/387277078.db2.gz UIBFHOLUDSWING-BQBZGAKWSA-N 1 0 202.323 0.221 10 0 BCAERO [NH3+]C1CC(C(=O)N2CCSCC2)C1 ZINC000575491890 387277234 /nfs/dbraw/zinc/27/72/34/387277234.db2.gz PLBNBHVLCSXPHC-UHFFFAOYSA-N 1 0 200.307 0.299 10 0 BCAERO Cc1noc(C)c1CC[N@@H+]1C[C@@H](O)C[C@@H]1CO ZINC000360471159 387293792 /nfs/dbraw/zinc/29/37/92/387293792.db2.gz YOTVMIOATNBTLA-MNOVXSKESA-N 1 0 240.303 0.261 10 0 BCAERO CNc1ccc(C(=O)NC2C[NH2+]C2)s1 ZINC000306547012 387302303 /nfs/dbraw/zinc/30/23/03/387302303.db2.gz WXIREOQSUHCLES-UHFFFAOYSA-N 1 0 211.290 0.491 10 0 BCAERO CN(C)c1nccc(N2CC[C@@](C)(C[NH3+])C2)n1 ZINC000234273101 387307901 /nfs/dbraw/zinc/30/79/01/387307901.db2.gz XSZXVXKJZHCETD-LBPRGKRZSA-N 1 0 235.335 0.718 10 0 BCAERO [NH3+][C@]1([C@@H](O)c2cnsc2)CCOC1 ZINC000575504201 387356771 /nfs/dbraw/zinc/35/67/71/387356771.db2.gz FJGXUJDUGGRACO-JGVFFNPUSA-N 1 0 200.263 0.294 10 0 BCAERO C/C(=C/[C@@H]1CCCS1(=O)=O)[C@@H](C)[NH3+] ZINC000575497140 387326502 /nfs/dbraw/zinc/32/65/02/387326502.db2.gz WAMJXVRDIOXVDR-WVXMWNJGSA-N 1 0 203.307 0.857 10 0 BCAERO [NH3+]C1CC(C[C@@H]2CCCS2(=O)=O)C1 ZINC000575497412 387329161 /nfs/dbraw/zinc/32/91/61/387329161.db2.gz XSVVYLDZUNJHDB-HACHORDNSA-N 1 0 203.307 0.691 10 0 BCAERO CC(C)[NH+]1CCC(O)(C(N)=S)CC1 ZINC000575499010 387344389 /nfs/dbraw/zinc/34/43/89/387344389.db2.gz PNSARMSAXWHGNN-UHFFFAOYSA-N 1 0 202.323 0.508 10 0 BCAERO Cn1nc(Br)cc1[C@H]1C[C@@H]1[NH3+] ZINC000575500009 387349944 /nfs/dbraw/zinc/34/99/44/387349944.db2.gz PNOKEMBYTSRTAM-WHFBIAKZSA-N 1 0 216.082 0.997 10 0 BCAERO C[C@H]([NH3+])[C@@H](O)c1cc(Br)nn1C ZINC000575500975 387351036 /nfs/dbraw/zinc/35/10/36/387351036.db2.gz WKAKMWPVHUNVGW-MHTLYPKNSA-N 1 0 234.097 0.563 10 0 BCAERO C[C@@H]([C@H](C)[NH3+])C1CCS(=O)(=O)CC1 ZINC000575516799 387425047 /nfs/dbraw/zinc/42/50/47/387425047.db2.gz CCROYZDYOYRIGA-YUMQZZPRSA-N 1 0 205.323 0.795 10 0 BCAERO CCC[C@H]1CN(C(=O)[C@@H]2C[NH2+]C[C@H]2C)CCO1 ZINC000423782446 387425528 /nfs/dbraw/zinc/42/55/28/387425528.db2.gz ZMPNFXDSDFBGQP-GRYCIOLGSA-N 1 0 240.347 0.869 10 0 BCAERO CC[N@H+](C[C@H](O)CN1CCCC1=O)C1CC1 ZINC000304025322 387429098 /nfs/dbraw/zinc/42/90/98/387429098.db2.gz DWBWDAKGNOSTFS-NSHDSACASA-N 1 0 226.320 0.454 10 0 BCAERO [NH3+][C@@H]1CN([C@H]2CCCSCC2)C1=O ZINC000575517700 387430909 /nfs/dbraw/zinc/43/09/09/387430909.db2.gz HRAOLGVPBONXBC-JGVFFNPUSA-N 1 0 200.307 0.442 10 0 BCAERO Cn1ncc(NC(=O)C[NH3+])c1Br ZINC000575523209 387441309 /nfs/dbraw/zinc/44/13/09/387441309.db2.gz PCUYSNFNDVAAEB-UHFFFAOYSA-N 1 0 233.069 0.080 10 0 BCAERO C[C@H]([NH2+]C[C@@H](O)C(C)(C)C)c1nncn1C ZINC000304249602 387450541 /nfs/dbraw/zinc/45/05/41/387450541.db2.gz QOVCREBLGHGNGZ-DTWKUNHWSA-N 1 0 226.324 0.873 10 0 BCAERO C[C@H]([NH2+]C[C@H](O)C(C)(C)C)c1nncn1C ZINC000304249603 387451185 /nfs/dbraw/zinc/45/11/85/387451185.db2.gz QOVCREBLGHGNGZ-IUCAKERBSA-N 1 0 226.324 0.873 10 0 BCAERO Cn1ncc(Cl)c1[C@@H]1C[C@@H]([NH3+])CO1 ZINC000575508930 387391357 /nfs/dbraw/zinc/39/13/57/387391357.db2.gz QSIZOPXUICFVLP-VDTYLAMSSA-N 1 0 201.657 0.862 10 0 BCAERO Cn1nc(Br)cc1[C@H]1C[C@@H]([NH3+])CO1 ZINC000575509204 387392304 /nfs/dbraw/zinc/39/23/04/387392304.db2.gz SPCXLWIKJYFHHA-IYSWYEEDSA-N 1 0 246.108 0.971 10 0 BCAERO CNC(=O)[C@@]1(N)CC[N@H+](Cc2ccccc2)C1 ZINC000575509332 387392796 /nfs/dbraw/zinc/39/27/96/387392796.db2.gz BQCJTESTTOJTTD-CYBMUJFWSA-N 1 0 233.315 0.336 10 0 BCAERO CO[C@H]1C[NH2+][C@@H](C(=O)Nc2nc(C)cs2)C1 ZINC000040630876 387499743 /nfs/dbraw/zinc/49/97/43/387499743.db2.gz FIXGVYZLQYGQGS-HTQZYQBOSA-N 1 0 241.316 0.767 10 0 BCAERO CCC[C@H](C(=O)N(C)CC(=O)OCC)[NH+](C)C ZINC000122294293 387503628 /nfs/dbraw/zinc/50/36/28/387503628.db2.gz PVKZEGQKEYDEEL-SNVBAGLBSA-N 1 0 244.335 0.738 10 0 BCAERO Cc1cc(CNC(=O)[C@@]2(C)CCCC[NH2+]2)[nH]n1 ZINC000648079829 387511461 /nfs/dbraw/zinc/51/14/61/387511461.db2.gz WFAYBBYPRFEZET-GFCCVEGCSA-N 1 0 236.319 0.867 10 0 BCAERO C[C@H](C[NH3+])n1nncc1Br ZINC000575525235 387526762 /nfs/dbraw/zinc/52/67/62/387526762.db2.gz YFCUZMVXGMLZTQ-SCSAIBSYSA-N 1 0 205.059 0.560 10 0 BCAERO C[C@H]1CC[C@@H](O)C[N@@H+]1CC(=O)NC1CCCC1 ZINC000399498795 387527498 /nfs/dbraw/zinc/52/74/98/387527498.db2.gz WBBKLEQEKRFWJU-CMPLNLGQSA-N 1 0 240.347 0.890 10 0 BCAERO CC[C@H](C[N@@H+]1C[C@H](OC)C[C@H]1CO)OC ZINC000397044357 387533461 /nfs/dbraw/zinc/53/34/61/387533461.db2.gz XLUSSEHOGCWXLK-HBNTYKKESA-N 1 0 217.309 0.493 10 0 BCAERO Cn1ncc(Cl)c1[C@H](O)C1([NH3+])CC1 ZINC000575528754 387540048 /nfs/dbraw/zinc/54/00/48/387540048.db2.gz VDQMYCYMZXUQHR-ZETCQYMHSA-N 1 0 201.657 0.598 10 0 BCAERO Cn1ncc(N2CC[C@@H]2C[NH3+])c1Cl ZINC000575528662 387540764 /nfs/dbraw/zinc/54/07/64/387540764.db2.gz UDFBJJSXGSEYBP-ZCFIWIBFSA-N 1 0 200.673 0.611 10 0 BCAERO C[NH+](C)CC(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000193553706 387488881 /nfs/dbraw/zinc/48/88/81/387488881.db2.gz JWMTUJQBNBGZHW-QWRGUYRKSA-N 1 0 226.320 0.718 10 0 BCAERO C[C@@H]1CCN1C(=O)[C@@H]1C[NH2+]CCS1 ZINC000575536805 387585643 /nfs/dbraw/zinc/58/56/43/387585643.db2.gz AKCDWDIFAONORV-SFYZADRCSA-N 1 0 200.307 0.312 10 0 BCAERO C[C@@]12C[NH2+]C[C@H]1CN(C(=O)C(F)(F)F)C2 ZINC000575545528 387628943 /nfs/dbraw/zinc/62/89/43/387628943.db2.gz MKEFRACLHGBTHQ-XPUUQOCRSA-N 1 0 222.210 0.617 10 0 BCAERO CC(C)[C@H]1OCC[C@H]1CNC(=O)C[NH+](C)C ZINC000362359938 387602142 /nfs/dbraw/zinc/60/21/42/387602142.db2.gz QVMDEELBARNVRF-CMPLNLGQSA-N 1 0 228.336 0.725 10 0 BCAERO C[C@H]1CC[C@H]([NH3+])CN1C(=O)C(F)(F)F ZINC000575530894 387552670 /nfs/dbraw/zinc/55/26/70/387552670.db2.gz ILHWFWSWZKJSIT-WDSKDSINSA-N 1 0 210.199 0.887 10 0 BCAERO C[C@@H]1CC[C@H]([NH3+])CN1C(=O)C(F)(F)F ZINC000575530893 387552878 /nfs/dbraw/zinc/55/28/78/387552878.db2.gz ILHWFWSWZKJSIT-RITPCOANSA-N 1 0 210.199 0.887 10 0 BCAERO C[C@H]([NH3+])C(=O)N[C@H]1CC[C@H](C)SC1 ZINC000575534184 387556409 /nfs/dbraw/zinc/55/64/09/387556409.db2.gz IBWLKMKHUSBMJI-FXQIFTODSA-N 1 0 202.323 0.734 10 0 BCAERO CS(=O)(=O)N[C@@H]1CCCCC[NH2+]C1 ZINC000575544955 387627576 /nfs/dbraw/zinc/62/75/76/387627576.db2.gz CWTDSWHNGUXHGV-MRVPVSSYSA-N 1 0 206.311 0.068 10 0 BCAERO CS(=O)(=O)N[C@H]1CCCCC[NH2+]C1 ZINC000575544960 387627589 /nfs/dbraw/zinc/62/75/89/387627589.db2.gz CWTDSWHNGUXHGV-QMMMGPOBSA-N 1 0 206.311 0.068 10 0 BCAERO COC[C@H](O)CN1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000126867292 387697588 /nfs/dbraw/zinc/69/75/88/387697588.db2.gz RHUZIIWYMYRGHA-IJLUTSLNSA-N 1 0 228.336 0.162 10 0 BCAERO Cc1cc(C[NH2+][C@H]2CCC(=O)N[C@@H]2C)nn1C ZINC000440966456 387718946 /nfs/dbraw/zinc/71/89/46/387718946.db2.gz YGVNUCCQQFCBAA-KOLCDFICSA-N 1 0 236.319 0.485 10 0 BCAERO [NH3+][C@@H](c1cscn1)[C@H]1COCCO1 ZINC000306304677 387729288 /nfs/dbraw/zinc/72/92/88/387729288.db2.gz IIRWMPFCENKXMR-SFYZADRCSA-N 1 0 200.263 0.558 10 0 BCAERO OCC[C@H]1CC[N@H+](C[C@@H](O)C(F)(F)F)C1 ZINC000228685899 387795299 /nfs/dbraw/zinc/79/52/99/387795299.db2.gz PZHGJPWLKOBBHN-HTQZYQBOSA-N 1 0 227.226 0.614 10 0 BCAERO CCc1nsc(N2CCO[C@H]([C@@H](C)[NH3+])C2)n1 ZINC000169216941 387800309 /nfs/dbraw/zinc/80/03/09/387800309.db2.gz RSVOZMWXNYOPRL-SFYZADRCSA-N 1 0 242.348 0.653 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)N(C)CC[C@@H](C)O ZINC000157700209 387865888 /nfs/dbraw/zinc/86/58/88/387865888.db2.gz KRUJTFCOQKQZKL-RKDXNWHRSA-N 1 0 202.298 0.343 10 0 BCAERO CCO[C@@H]1CCCN(C(=O)[C@H]2C[C@H](F)C[NH2+]2)C1 ZINC000645748545 387883904 /nfs/dbraw/zinc/88/39/04/387883904.db2.gz VAUHPCKDXAQUSR-HBNTYKKESA-N 1 0 244.310 0.714 10 0 BCAERO Cc1ccc(C(=O)NC[C@@H]2CN(C)CCO2)o1 ZINC000194638712 387888119 /nfs/dbraw/zinc/88/81/19/387888119.db2.gz ISYJPIXWTUSLGK-SNVBAGLBSA-N 1 0 238.287 0.648 10 0 BCAERO C[C@@H](O)CN1CC[N@H+](CC2CC2)C[C@@H]1C ZINC000156161825 387932599 /nfs/dbraw/zinc/93/25/99/387932599.db2.gz QCTXGEYVXPYXMS-WDEREUQCSA-N 1 0 212.337 0.783 10 0 BCAERO CN1C(=O)C[C@@H](C[NH3+])[C@@H]1c1cccnc1 ZINC000238299889 387933607 /nfs/dbraw/zinc/93/36/07/387933607.db2.gz ZEMJKHDUMSCSIO-ONGXEEELSA-N 1 0 205.261 0.560 10 0 BCAERO NC(=O)C[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000195515731 387922633 /nfs/dbraw/zinc/92/26/33/387922633.db2.gz KBDQMPDRDJMLLE-JTQLQIEISA-N 1 0 234.303 0.301 10 0 BCAERO CCC[NH2+]CCNc1nnc(C)c(C)n1 ZINC000158973444 387977458 /nfs/dbraw/zinc/97/74/58/387977458.db2.gz ZIWKVJHECLYVMK-UHFFFAOYSA-N 1 0 209.297 0.900 10 0 BCAERO CO[C@H]1CCN(C(=O)[C@@H]2CCC[NH2+][C@H]2C)C1 ZINC000423200806 387988130 /nfs/dbraw/zinc/98/81/30/387988130.db2.gz GJYSLXXETYZDND-GARJFASQSA-N 1 0 226.320 0.622 10 0 BCAERO CSC[C@H](C)NC(=O)[C@H]1CC[NH2+]C1 ZINC000158443565 387988262 /nfs/dbraw/zinc/98/82/62/387988262.db2.gz FXUNNCUBSMLTHC-YUMQZZPRSA-N 1 0 202.323 0.464 10 0 BCAERO CC[N@@H+]1CCC[C@H](NC(=O)[C@H](C)COC)C1 ZINC000245821984 387986278 /nfs/dbraw/zinc/98/62/78/387986278.db2.gz MFUSCKQBGPZZRB-MNOVXSKESA-N 1 0 228.336 0.869 10 0 BCAERO Cn1ccnc(N2CC[N@@H+]3CCC[C@H]3C2)c1=O ZINC000246078761 388007301 /nfs/dbraw/zinc/00/73/01/388007301.db2.gz FOLDCYAQDMJWQL-JTQLQIEISA-N 1 0 234.303 0.065 10 0 BCAERO CCCNC(=O)CN1CC[N@@H+]2CCCC[C@H]2C1 ZINC000246125089 388012223 /nfs/dbraw/zinc/01/22/23/388012223.db2.gz BKPMXZVGYFZQCR-LBPRGKRZSA-N 1 0 239.363 0.683 10 0 BCAERO CCN1CCN(C(=O)[C@H]2CC[C@H]([NH3+])C2)CC1 ZINC000085009380 388082848 /nfs/dbraw/zinc/08/28/48/388082848.db2.gz IMNYNRMUARPHCW-QWRGUYRKSA-N 1 0 225.336 0.278 10 0 BCAERO CCN1CCN(C(=O)[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000085009376 388082910 /nfs/dbraw/zinc/08/29/10/388082910.db2.gz IMNYNRMUARPHCW-MNOVXSKESA-N 1 0 225.336 0.278 10 0 BCAERO COC(=O)CCCNC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000085011829 388083135 /nfs/dbraw/zinc/08/31/35/388083135.db2.gz YNHMMXNUTSHDEL-RKDXNWHRSA-N 1 0 228.292 0.183 10 0 BCAERO CC[C@@H]([NH2+]CCS(=O)(=O)NC)C(C)(C)C ZINC000336659081 388083755 /nfs/dbraw/zinc/08/37/55/388083755.db2.gz BLIKUONCAIVAOW-SECBINFHSA-N 1 0 236.381 0.950 10 0 BCAERO CCOc1cc(N2CCC[C@H]2C[NH3+])ncn1 ZINC000085482733 388089626 /nfs/dbraw/zinc/08/96/26/388089626.db2.gz PYVYYOHIMCYDTR-VIFPVBQESA-N 1 0 222.292 0.803 10 0 BCAERO C[NH2+]C[C@H]1CCCN1c1cc(OC)ncn1 ZINC000085481624 388089716 /nfs/dbraw/zinc/08/97/16/388089716.db2.gz FMOHGQGUZPIMSQ-SECBINFHSA-N 1 0 222.292 0.673 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)N(C)CCn1cccn1 ZINC000645965374 388095446 /nfs/dbraw/zinc/09/54/46/388095446.db2.gz KXPUYTGHUZIUPV-LLVKDONJSA-N 1 0 238.335 0.715 10 0 BCAERO CCc1nnc(CN2CC[NH+](C3CC3)CC2)n1C ZINC000195115302 388096875 /nfs/dbraw/zinc/09/68/75/388096875.db2.gz BEDOLXJQCXGRMV-UHFFFAOYSA-N 1 0 249.362 0.658 10 0 BCAERO CC[C@H]1CN(C(=O)[C@@H]2C[NH2+]C[C@H]2C)C[C@H](C)O1 ZINC000449248533 388162306 /nfs/dbraw/zinc/16/23/06/388162306.db2.gz JLCGSRCRRQFLNO-NOOOWODRSA-N 1 0 240.347 0.868 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)N1CC[C@@]2(CCOC2)C1 ZINC000646215330 388166157 /nfs/dbraw/zinc/16/61/57/388166157.db2.gz FISVXNAPBLTEHE-DGCLKSJQSA-N 1 0 240.347 0.999 10 0 BCAERO O[C@@H]1C[NH2+]C[C@H]1CNCc1ccsc1 ZINC000261528300 135153571 /nfs/dbraw/zinc/15/35/71/135153571.db2.gz MLFYOQWXTAZFJH-NXEZZACHSA-N 1 0 212.318 0.418 10 0 BCAERO CC(C)(C)[C@H](O)C[NH2+][C@H]1CCCNC(=O)C1 ZINC000324317118 388116451 /nfs/dbraw/zinc/11/64/51/388116451.db2.gz GNWWZFKTOSNUGW-VHSXEESVSA-N 1 0 228.336 0.652 10 0 BCAERO Cn1nc(-c2ccncc2)nc1CC[NH3+] ZINC000082531941 388120990 /nfs/dbraw/zinc/12/09/90/388120990.db2.gz GEWGMEAPJAKQJV-UHFFFAOYSA-N 1 0 203.249 0.378 10 0 BCAERO O=S1(=O)CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000070627790 388134867 /nfs/dbraw/zinc/13/48/67/388134867.db2.gz QUBGVPAXHYVQMM-SECBINFHSA-N 1 0 203.307 0.421 10 0 BCAERO COC[C@@H]1CN(C(=O)C[C@H]([NH3+])C(C)C)CCO1 ZINC000646075029 388137686 /nfs/dbraw/zinc/13/76/86/388137686.db2.gz LHGLUDQYTWCHJR-QWRGUYRKSA-N 1 0 244.335 0.234 10 0 BCAERO Cc1c(C[NH2+][C@H](C)C[C@H](C)O)cnn1C ZINC000164613837 388241635 /nfs/dbraw/zinc/24/16/35/388241635.db2.gz GFPHSMYBPYFYIH-BDAKNGLRSA-N 1 0 211.309 0.978 10 0 BCAERO NC(=S)[C@@H]1CCC[N@@H+]([C@H]2CCOC2)C1 ZINC000251293589 388324364 /nfs/dbraw/zinc/32/43/64/388324364.db2.gz NYULFRJTIRHKOI-BDAKNGLRSA-N 1 0 214.334 0.773 10 0 BCAERO CCc1nnc(C)cc1C(=O)N1C[C@H](C)[C@H]([NH3+])C1 ZINC000234161167 388354619 /nfs/dbraw/zinc/35/46/19/388354619.db2.gz JBRDAZYEMCAJTR-GZMMTYOYSA-N 1 0 248.330 0.767 10 0 BCAERO C[C@@H]1CC[C@H](C[NH3+])N([S@@](C)=O)[C@H]1C ZINC000575519221 388355787 /nfs/dbraw/zinc/35/57/87/388355787.db2.gz HSTKCMJKNMGULY-LOKDSWTASA-N 1 0 204.339 0.728 10 0 BCAERO CCOC1(C(N)=S)CC[NH+](C)CC1 ZINC000306232054 388379911 /nfs/dbraw/zinc/37/99/11/388379911.db2.gz KMXGBELNSTWLCY-UHFFFAOYSA-N 1 0 202.323 0.773 10 0 BCAERO Cc1nccc(C(=O)N[C@@H]2CCC[NH2+][C@@H]2C)n1 ZINC000193579198 388381545 /nfs/dbraw/zinc/38/15/45/388381545.db2.gz WQGSANQINBMFPE-PSASIEDQSA-N 1 0 234.303 0.655 10 0 BCAERO COC(=O)CCC[NH2+]C[C@H](O)C(C)(C)C ZINC000324459047 388383031 /nfs/dbraw/zinc/38/30/31/388383031.db2.gz XOJPKRUXLDZDNO-VIFPVBQESA-N 1 0 217.309 0.936 10 0 BCAERO Cc1nocc1C[NH2+]C[C@@H]1CN(C)CCO1 ZINC000293556281 388389976 /nfs/dbraw/zinc/38/99/76/388389976.db2.gz LSELSGVEKVYQQY-LLVKDONJSA-N 1 0 225.292 0.403 10 0 BCAERO CN(Cc1cc[nH]n1)C(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000336519059 388457515 /nfs/dbraw/zinc/45/75/15/388457515.db2.gz FEEKHZAMTLUWIJ-UWVGGRQHSA-N 1 0 236.319 0.886 10 0 BCAERO Cc1nccc(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000195334983 388468229 /nfs/dbraw/zinc/46/82/29/388468229.db2.gz MJDDANUWYASUNB-LLVKDONJSA-N 1 0 246.314 0.705 10 0 BCAERO C[C@@H]([NH3+])C[C@@H](C)Nc1nccn(C)c1=O ZINC000165723029 388409871 /nfs/dbraw/zinc/40/98/71/388409871.db2.gz ISAOSWSKFNENMA-HTQZYQBOSA-N 1 0 210.281 0.318 10 0 BCAERO C[C@H]([NH3+])C[C@H](C)Nc1ncnc2nc[nH]c21 ZINC000165748921 388410319 /nfs/dbraw/zinc/41/03/19/388410319.db2.gz CQYWJQRYNNBUIR-BQBZGAKWSA-N 1 0 220.280 0.891 10 0 BCAERO C[C@@H]([NH3+])C[C@H](C)Nc1ncnc2nc[nH]c21 ZINC000165749038 388410496 /nfs/dbraw/zinc/41/04/96/388410496.db2.gz CQYWJQRYNNBUIR-RQJHMYQMSA-N 1 0 220.280 0.891 10 0 BCAERO CC(C)[C@H](O)C[N@@H+]1C[C@H](O)CC[C@@H]1C ZINC000307606203 388424337 /nfs/dbraw/zinc/42/43/37/388424337.db2.gz BHQAWRVOTKSKNB-HBNTYKKESA-N 1 0 201.310 0.849 10 0 BCAERO C[C@H]1C[C@H]([NH3+])CCN1C(=O)[C@H]1CCCO1 ZINC000166395946 388426722 /nfs/dbraw/zinc/42/67/22/388426722.db2.gz IECBNUGELGCMIR-IVZWLZJFSA-N 1 0 212.293 0.504 10 0 BCAERO CCC[C@H]([NH3+])C(=O)NCCCN1CCOC1=O ZINC000178102122 388496575 /nfs/dbraw/zinc/49/65/75/388496575.db2.gz UADZWWQKVYEFTO-VIFPVBQESA-N 1 0 243.307 0.072 10 0 BCAERO COC(=O)N(C)CCCC(=O)NCC[C@@H](C)[NH3+] ZINC000178656461 388502955 /nfs/dbraw/zinc/50/29/55/388502955.db2.gz LBJWRHLIDDQTDY-SECBINFHSA-N 1 0 245.323 0.318 10 0 BCAERO CO[C@@H]1C[C@H](CO)[N@H+](Cc2cncs2)C1 ZINC000343992248 388503875 /nfs/dbraw/zinc/50/38/75/388503875.db2.gz VYOJUNLGJAMATA-RKDXNWHRSA-N 1 0 228.317 0.725 10 0 BCAERO CO[C@H]1C[C@H](CO)[N@H+](Cc2ccco2)C1 ZINC000343972617 388503963 /nfs/dbraw/zinc/50/39/63/388503963.db2.gz GIULJDPVDKUVBT-KOLCDFICSA-N 1 0 211.261 0.861 10 0 BCAERO COC[C@@]1(C(=O)Nc2ccnc(C)c2)CCC[NH2+]1 ZINC000649279633 388507022 /nfs/dbraw/zinc/50/70/22/388507022.db2.gz FRRVZCMMZXRSCO-CYBMUJFWSA-N 1 0 249.314 0.519 10 0 BCAERO CO[C@H]1C[C@H](CO)[N@H+](CCOC(C)C)C1 ZINC000344738791 388508514 /nfs/dbraw/zinc/50/85/14/388508514.db2.gz OWJCRFSDPZOLKO-MNOVXSKESA-N 1 0 217.309 0.493 10 0 BCAERO CO[C@H]1C[C@H](CO)[N@H+](CCc2ccnn2C)C1 ZINC000344668453 388508906 /nfs/dbraw/zinc/50/89/06/388508906.db2.gz ARBXJBGEOQNLDE-NEPJUHHUSA-N 1 0 239.319 0.044 10 0 BCAERO CO[C@@H]1C[C@H](CO)[N@H+](CCOCC(C)C)C1 ZINC000344670237 388509472 /nfs/dbraw/zinc/50/94/72/388509472.db2.gz DCYRHJGNGOCFTO-VXGBXAGGSA-N 1 0 231.336 0.741 10 0 BCAERO C[NH2+][C@H](C)C(=O)N1CCCC[C@@H]1C(=O)OC ZINC000054074928 388593398 /nfs/dbraw/zinc/59/33/98/388593398.db2.gz XWNLVZGQIOQZTH-RKDXNWHRSA-N 1 0 228.292 0.148 10 0 BCAERO COC[C@H]([NH3+])C(=O)N[C@@H]1CCC[C@@H]1C ZINC000220175913 388602648 /nfs/dbraw/zinc/60/26/48/388602648.db2.gz XMCLIJLPKJPPOW-XHNCKOQMSA-N 1 0 200.282 0.265 10 0 BCAERO COC[C@H]([NH3+])C(=O)N[C@H]1CCC[C@@H]1C ZINC000220175966 388602765 /nfs/dbraw/zinc/60/27/65/388602765.db2.gz XMCLIJLPKJPPOW-CIUDSAMLSA-N 1 0 200.282 0.265 10 0 BCAERO Cc1ccc(C[NH2+][C@H]2CCOC[C@@H]2O)nc1 ZINC000623767081 388604639 /nfs/dbraw/zinc/60/46/39/388604639.db2.gz PMOPWAUIRJXSPX-RYUDHWBXSA-N 1 0 222.288 0.629 10 0 BCAERO CC(C)S(=O)(=O)CCNCC1([NH3+])CCC1 ZINC000261547124 135239848 /nfs/dbraw/zinc/23/98/48/135239848.db2.gz LWLAEIAPCNOIPV-UHFFFAOYSA-N 1 0 234.365 0.281 10 0 BCAERO [NH3+][C@@H]1CC[C@@H](C(=O)NC[C@H]2CCCO2)C1 ZINC000246709112 388649267 /nfs/dbraw/zinc/64/92/67/388649267.db2.gz ZULPQZCZGJYHLZ-OPRDCNLKSA-N 1 0 212.293 0.409 10 0 BCAERO CC[N@@H+]1CCC[C@H]1CN(C)[C@H](C)C(=O)N(C)C ZINC000246758291 388651446 /nfs/dbraw/zinc/65/14/46/388651446.db2.gz XZDZXCQFUHVIPI-NEPJUHHUSA-N 1 0 241.379 0.879 10 0 BCAERO CC[C@H]1CN(C(=O)C2CC2)CC[N@@H+]1C[C@H](C)O ZINC000246998820 388656678 /nfs/dbraw/zinc/65/66/78/388656678.db2.gz VOLGACRHWXWIKL-JQWIXIFHSA-N 1 0 240.347 0.700 10 0 BCAERO CCC[C@H](C(=O)NCCCCO)[NH+](C)C ZINC000194958105 388746749 /nfs/dbraw/zinc/74/67/49/388746749.db2.gz HOCUMTDUZIKOQI-SNVBAGLBSA-N 1 0 216.325 0.605 10 0 BCAERO C[C@H]([NH3+])CCC(=O)N1[C@H](C)COC[C@H]1C ZINC000248854860 388696851 /nfs/dbraw/zinc/69/68/51/388696851.db2.gz KRTBNRSTRQMYND-IVZWLZJFSA-N 1 0 214.309 0.750 10 0 BCAERO CCN1C(=O)C[C@H](C[NH3+])[C@H]1c1ccncc1 ZINC000399827688 388702475 /nfs/dbraw/zinc/70/24/75/388702475.db2.gz WJTUJUYEBRMSNH-ZYHUDNBSSA-N 1 0 219.288 0.950 10 0 BCAERO [NH3+]C[C@@]1(CO)COCCN1Cc1ccccc1 ZINC000521399059 388704523 /nfs/dbraw/zinc/70/45/23/388704523.db2.gz PQUJOONPSXZWHO-CYBMUJFWSA-N 1 0 236.315 0.209 10 0 BCAERO CC[C@@](C)(O)C[N@@H+]1CCN(CCOC)[C@@H](C)C1 ZINC000249085290 388708404 /nfs/dbraw/zinc/70/84/04/388708404.db2.gz FFPPNURBMBXTPM-QWHCGFSZSA-N 1 0 244.379 0.800 10 0 BCAERO C/C(=C/Cl)C[N@@H+]1C[C@H](O)[C@H](CO)C1 ZINC000316066629 388712667 /nfs/dbraw/zinc/71/26/67/388712667.db2.gz HPNALHSFDOMDKT-ABTJETJPSA-N 1 0 205.685 0.414 10 0 BCAERO CC[C@@](C)(O)C[N@@H+]1CC[C@@H](OCCOC)C1 ZINC000249294231 388715707 /nfs/dbraw/zinc/71/57/07/388715707.db2.gz ATUJLGGQIDROLK-VXGBXAGGSA-N 1 0 231.336 0.885 10 0 BCAERO CC(C)OC[C@H](O)C[NH2+]C[C@H]1CCC[C@@H](O)C1 ZINC000227732780 388756801 /nfs/dbraw/zinc/75/68/01/388756801.db2.gz FDXBDXDKTYBJPW-YNEHKIRRSA-N 1 0 245.363 0.913 10 0 BCAERO C[NH2+][C@]1(C(N)=O)CCN(Cc2ccccc2)C1 ZINC000037869815 388730531 /nfs/dbraw/zinc/73/05/31/388730531.db2.gz ALHDUXIYRPDPAS-CYBMUJFWSA-N 1 0 233.315 0.336 10 0 BCAERO CSC[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000253146603 388806283 /nfs/dbraw/zinc/80/62/83/388806283.db2.gz YMYHGMVUTPPYET-LPEHRKFASA-N 1 0 219.350 0.820 10 0 BCAERO CCCCOC[C@@H](O)C[NH2+][C@@H]1CCO[C@@H]1C ZINC000227895225 388761576 /nfs/dbraw/zinc/76/15/76/388761576.db2.gz WYWPVYBCDRYXEC-GRYCIOLGSA-N 1 0 231.336 0.931 10 0 BCAERO O[C@@H](c1ccsn1)[C@@H]1C[NH2+]CCS1 ZINC000575454689 388764982 /nfs/dbraw/zinc/76/49/82/388764982.db2.gz YUXMQDHBUOROED-YUMQZZPRSA-N 1 0 216.331 0.882 10 0 BCAERO COc1c(N)ncnc1N1CC[N@@H+]2CCC[C@H]2C1 ZINC000250280283 388787175 /nfs/dbraw/zinc/78/71/75/388787175.db2.gz JBOQQQLXJJUJFB-VIFPVBQESA-N 1 0 249.318 0.352 10 0 BCAERO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)c3nc[nH]n3)C[C@@H]21 ZINC000230127835 388815312 /nfs/dbraw/zinc/81/53/12/388815312.db2.gz KNEFRWSUELXOCN-HRDYMLBCSA-N 1 0 235.291 0.004 10 0 BCAERO O[C@H]1CNC(SC2CCCC2)=[NH+]C1 ZINC000575465429 388836477 /nfs/dbraw/zinc/83/64/77/388836477.db2.gz MZADJEUKVDVLSK-UHFFFAOYSA-N 1 0 200.307 0.982 10 0 BCAERO C[C@H](C[NH3+])NC(=O)[C@H]1CCC(F)(F)C1 ZINC000301032436 388845073 /nfs/dbraw/zinc/84/50/73/388845073.db2.gz VLMCEWWKTNBMBS-RQJHMYQMSA-N 1 0 206.236 0.885 10 0 BCAERO NC(=S)C[N@@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000575483364 388865397 /nfs/dbraw/zinc/86/53/97/388865397.db2.gz FVRNTRVYVGWFFF-HTQZYQBOSA-N 1 0 200.307 0.241 10 0 BCAERO FC(F)(Br)CN[C@H]1CC[NH2+]C1 ZINC000575472069 388850755 /nfs/dbraw/zinc/85/07/55/388850755.db2.gz IMOHJDDGAOAGQI-YFKPBYRVSA-N 1 0 229.068 0.926 10 0 BCAERO Cc1ccc(C(=O)N2CCO[C@@H]3C[NH2+]C[C@@H]32)cn1 ZINC000565039267 388909933 /nfs/dbraw/zinc/90/99/33/388909933.db2.gz UHNKNYQUZOBNGF-NWDGAFQWSA-N 1 0 247.298 0.203 10 0 BCAERO Cn1c(Cl)ncc1[C@@H](O)C1C[NH2+]C1 ZINC000575506164 388991440 /nfs/dbraw/zinc/99/14/40/388991440.db2.gz XIUMSARENOWEPN-ZETCQYMHSA-N 1 0 201.657 0.326 10 0 BCAERO CC[N@H+](CCO)CCNc1nccc(C)n1 ZINC000274405387 389045928 /nfs/dbraw/zinc/04/59/28/389045928.db2.gz NNJNCZYNTPAJEP-UHFFFAOYSA-N 1 0 224.308 0.511 10 0 BCAERO CC[NH+]1CCN(c2ccc(CO)nn2)CC1 ZINC000031977323 132334927 /nfs/dbraw/zinc/33/49/27/132334927.db2.gz QUHODVFGWBAAGN-UHFFFAOYSA-N 1 0 222.292 0.111 10 0 BCAERO [NH3+]Cc1cccc(N2CCS(=O)CC2)n1 ZINC000051397521 132360451 /nfs/dbraw/zinc/36/04/51/132360451.db2.gz MBQZVVJGXVDANS-UHFFFAOYSA-N 1 0 225.317 0.109 10 0 BCAERO C[NH2+]Cc1cccc(N2CCS(=O)CC2)n1 ZINC000051484607 132361204 /nfs/dbraw/zinc/36/12/04/132361204.db2.gz BRRVCPOZBICVRX-UHFFFAOYSA-N 1 0 239.344 0.370 10 0 BCAERO CC(C)C1([NH2+]CCN2CCCS2(=O)=O)CC1 ZINC000339517864 166752521 /nfs/dbraw/zinc/75/25/21/166752521.db2.gz YWTKMGCQFXOEEA-UHFFFAOYSA-N 1 0 246.376 0.800 10 0 BCAERO C(CN1CC[N@@H+]2CCCC[C@@H]2C1)C1OCCO1 ZINC000248609553 533360603 /nfs/dbraw/zinc/36/06/03/533360603.db2.gz HIDZXSPHUPPKEK-GFCCVEGCSA-N 1 0 240.347 0.920 10 0 BCAERO COC(=O)CCC[N@@H+]1C[C@H](C)C[C@H](O)C1 ZINC000401632802 533382995 /nfs/dbraw/zinc/38/29/95/533382995.db2.gz ZLMSUXQFDCCOMX-ZJUUUORDSA-N 1 0 215.293 0.642 10 0 BCAERO COC(=O)CCC[N@@H+]1C[C@@H](C)C[C@H](O)C1 ZINC000401632800 533383108 /nfs/dbraw/zinc/38/31/08/533383108.db2.gz ZLMSUXQFDCCOMX-UWVGGRQHSA-N 1 0 215.293 0.642 10 0 BCAERO CSCCCC(=O)N1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000402018035 533535650 /nfs/dbraw/zinc/53/56/50/533535650.db2.gz CZZGZOSVUITICT-BDAKNGLRSA-N 1 0 216.350 0.935 10 0 BCAERO C[C@@H]1C[NH2+][C@@H](C)CN1c1ncnc2nc[nH]c21 ZINC000006187608 132244499 /nfs/dbraw/zinc/24/44/99/132244499.db2.gz VMWCESZLNHVQLZ-JGVFFNPUSA-N 1 0 232.291 0.540 10 0 BCAERO c1cnc(N2CC[N@@H+]3CCC[C@@H]3C2)nc1 ZINC000171766350 132291057 /nfs/dbraw/zinc/29/10/57/132291057.db2.gz IEFJUATXUYELKF-SNVBAGLBSA-N 1 0 204.277 0.761 10 0 BCAERO Cc1cc(N2CCO[C@@H](CO)C2)cc[nH+]1 ZINC000229582064 132292058 /nfs/dbraw/zinc/29/20/58/132292058.db2.gz ISGAMUZIFMEPLT-LLVKDONJSA-N 1 0 208.261 0.588 10 0 BCAERO Cc1cc(N2CC[NH2+]CC2)nc(N2CCCC2)[nH+]1 ZINC000026471458 132293624 /nfs/dbraw/zinc/29/36/24/132293624.db2.gz WDDCMCZFVYPMLD-UHFFFAOYSA-N 1 0 247.346 0.795 10 0 BCAERO CCCc1cc(=O)[nH]c(N2CCC([NH3+])CC2)n1 ZINC000057329509 132300982 /nfs/dbraw/zinc/30/09/82/132300982.db2.gz PFAVLKALWIJXLX-UHFFFAOYSA-N 1 0 236.319 0.650 10 0 BCAERO c1nc(N2CC[NH2+]CC2)nc2c1CCCC2 ZINC000196274270 132302301 /nfs/dbraw/zinc/30/23/01/132302301.db2.gz WBJDTPPSQPAPAM-UHFFFAOYSA-N 1 0 218.304 0.765 10 0 BCAERO Cc1noc(-c2ccc(N3CC[NH2+]CC3)nn2)n1 ZINC000070458422 132302900 /nfs/dbraw/zinc/30/29/00/132302900.db2.gz HETKVHFDIZORDM-UHFFFAOYSA-N 1 0 246.274 0.245 10 0 BCAERO O=S1(=O)C[C@H]2C[NH2+]CCN2c2ccccc21 ZINC000073734038 132303532 /nfs/dbraw/zinc/30/35/32/132303532.db2.gz QGOABLUVRBHPFV-SECBINFHSA-N 1 0 238.312 0.252 10 0 BCAERO C[NH+]1CCN(c2ccc3c(c2)NCC(=O)N3)CC1 ZINC000001654711 132314608 /nfs/dbraw/zinc/31/46/08/132314608.db2.gz JVHHLGJKLYTZAV-UHFFFAOYSA-N 1 0 246.314 0.802 10 0 BCAERO Cc1cc(N2CC[NH2+]CC2)nc(Cl)n1 ZINC000003716155 132318531 /nfs/dbraw/zinc/31/85/31/132318531.db2.gz SAUOFLCAYXUTOZ-UHFFFAOYSA-N 1 0 212.684 0.848 10 0 BCAERO [NH3+]CCC(=O)Nc1ccccc1N1CCOCC1 ZINC000011755203 132320465 /nfs/dbraw/zinc/32/04/65/132320465.db2.gz NHHDIPQAEWRTQX-UHFFFAOYSA-N 1 0 249.314 0.811 10 0 BCAERO [NH3+]CCC(=O)N1CC(=O)Nc2ccccc21 ZINC000020293546 132331099 /nfs/dbraw/zinc/33/10/99/132331099.db2.gz KKHDKEGLIBERGG-UHFFFAOYSA-N 1 0 219.244 0.321 10 0 BCAERO Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)nc1 ZINC000020353369 132331532 /nfs/dbraw/zinc/33/15/32/132331532.db2.gz RJWWTFOINJVNPK-LLVKDONJSA-N 1 0 218.304 0.948 10 0 BCAERO O=C1Nc2c(F)cccc2N2CC[NH2+]C[C@@H]12 ZINC000026158681 132333651 /nfs/dbraw/zinc/33/36/51/132333651.db2.gz BGXZPCDCBAFZDS-VIFPVBQESA-N 1 0 221.235 0.556 10 0 BCAERO CN(C)C(=O)c1cc(N2CC[NH2+]CC2)ccn1 ZINC000035672719 132338895 /nfs/dbraw/zinc/33/88/95/132338895.db2.gz CXVBJCDOXFAVND-UHFFFAOYSA-N 1 0 234.303 0.193 10 0 BCAERO C[C@@H]1COCCN1c1ccc(C[NH3+])cn1 ZINC000035773383 132339154 /nfs/dbraw/zinc/33/91/54/132339154.db2.gz RAFITPJXZITVJY-SECBINFHSA-N 1 0 207.277 0.765 10 0 BCAERO [NH3+]Cc1cccnc1N1CCC[C@@H](CO)C1 ZINC000036205662 132340793 /nfs/dbraw/zinc/34/07/93/132340793.db2.gz OLVZXLAYDHJVHM-SNVBAGLBSA-N 1 0 221.304 0.749 10 0 BCAERO Cc1nc(N2CC[NH+](CCO)CC2)ccc1N ZINC000036250980 132341643 /nfs/dbraw/zinc/34/16/43/132341643.db2.gz SACCYMORPMBZFY-UHFFFAOYSA-N 1 0 236.319 0.087 10 0 BCAERO [NH3+]Cc1ccnc(N2CCC(CO)CC2)c1 ZINC000036720886 132342233 /nfs/dbraw/zinc/34/22/33/132342233.db2.gz IZNKAYCOXHGJFP-UHFFFAOYSA-N 1 0 221.304 0.749 10 0 BCAERO [NH3+]Cc1cccnc1N1CCC(CO)CC1 ZINC000036720885 132342275 /nfs/dbraw/zinc/34/22/75/132342275.db2.gz GDGXHTKWPUOEGD-UHFFFAOYSA-N 1 0 221.304 0.749 10 0 BCAERO CC[C@@H]([NH3+])CN1CCN(c2ncccn2)CC1 ZINC000036871976 132342691 /nfs/dbraw/zinc/34/26/91/132342691.db2.gz ZXBOFKSIWQFQIY-LLVKDONJSA-N 1 0 235.335 0.336 10 0 BCAERO [NH3+]Cc1ccc(N2CCC[C@@H](O)C2)nc1 ZINC000036795678 132342790 /nfs/dbraw/zinc/34/27/90/132342790.db2.gz HJOHDBMELHLDNL-SNVBAGLBSA-N 1 0 207.277 0.501 10 0 BCAERO C[C@H]1Oc2ccccc2N(CC[NH3+])C1=O ZINC000036928442 132343064 /nfs/dbraw/zinc/34/30/64/132343064.db2.gz UUTODOBGJBLBKI-MRVPVSSYSA-N 1 0 206.245 0.759 10 0 BCAERO C[NH2+]C[C@@H]1CCCN(c2ncccn2)C1 ZINC000040602117 132348224 /nfs/dbraw/zinc/34/82/24/132348224.db2.gz NQJIOGIONUSKJO-JTQLQIEISA-N 1 0 206.293 0.912 10 0 BCAERO [NH3+]C[C@@H]1CN(c2ccc(F)cn2)CCO1 ZINC000041059056 132349584 /nfs/dbraw/zinc/34/95/84/132349584.db2.gz BLCTUJUQCZVWIX-SECBINFHSA-N 1 0 211.240 0.385 10 0 BCAERO NC(=O)[C@@H]1CCCCN1c1cc(C[NH3+])ccn1 ZINC000042403549 132351188 /nfs/dbraw/zinc/35/11/88/132351188.db2.gz KPCJPJCUNMKRMP-JTQLQIEISA-N 1 0 234.303 0.385 10 0 BCAERO NC(=O)CC1CCN(c2ccc(C[NH3+])cn2)CC1 ZINC000042427029 132351903 /nfs/dbraw/zinc/35/19/03/132351903.db2.gz AQQHBPDIUFMTKA-UHFFFAOYSA-N 1 0 248.330 0.632 10 0 BCAERO [NH3+]Cc1ccnc(N2CCCC[C@H]2CO)c1 ZINC000042432054 132352068 /nfs/dbraw/zinc/35/20/68/132352068.db2.gz MKKHQCBLXKMAFA-NSHDSACASA-N 1 0 221.304 0.892 10 0 BCAERO Cc1ccnc(N2CCN(CC[NH3+])CC2)c1 ZINC000043561287 132353345 /nfs/dbraw/zinc/35/33/45/132353345.db2.gz WCRZRMVBDPUGRW-UHFFFAOYSA-N 1 0 220.320 0.471 10 0 BCAERO CC[NH2+]CCN1CCN(c2ncccn2)CC1 ZINC000044380516 132353953 /nfs/dbraw/zinc/35/39/53/132353953.db2.gz YISBGBWVEIMIMB-UHFFFAOYSA-N 1 0 235.335 0.208 10 0 BCAERO O=C1N[C@@H]2C[NH2+]CCN2c2c(Cl)cccc21 ZINC000045389144 132354641 /nfs/dbraw/zinc/35/46/41/132354641.db2.gz JWBQIOLFSHCCDX-VIFPVBQESA-N 1 0 237.690 0.819 10 0 BCAERO C[C@H](CC(N)=[NH2+])N1CCN(c2ncccn2)CC1 ZINC000048249776 132355330 /nfs/dbraw/zinc/35/53/30/132355330.db2.gz XNSAGBJOJDQVRD-SNVBAGLBSA-N 1 0 248.334 0.313 10 0 BCAERO Cc1cccnc1N1CCO[C@@H](C[NH3+])C1 ZINC000051040757 132359842 /nfs/dbraw/zinc/35/98/42/132359842.db2.gz QDGJORHKGKYCFB-JTQLQIEISA-N 1 0 207.277 0.554 10 0 BCAERO C[C@H]1CN(c2ccnc(C[NH3+])c2)CCO1 ZINC000051396232 132360198 /nfs/dbraw/zinc/36/01/98/132360198.db2.gz KDTYURSBXBGNJK-VIFPVBQESA-N 1 0 207.277 0.765 10 0 BCAERO [NH3+]Cc1ccc(N2CCN(C3CC3)CC2)nn1 ZINC000051398181 132360304 /nfs/dbraw/zinc/36/03/04/132360304.db2.gz YEZQUMDXBDQBCK-UHFFFAOYSA-N 1 0 233.319 0.220 10 0 BCAERO C[C@@H]1COCCN1c1ccnc(C[NH3+])c1 ZINC000051396851 132360473 /nfs/dbraw/zinc/36/04/73/132360473.db2.gz GTXHDVHCASQBQR-SECBINFHSA-N 1 0 207.277 0.765 10 0 BCAERO C[NH2+]Cc1ccc(N2CCO[C@H](C)C2)nn1 ZINC000051400214 132361069 /nfs/dbraw/zinc/36/10/69/132361069.db2.gz MKEWKURUPWFXHN-SECBINFHSA-N 1 0 222.292 0.421 10 0 BCAERO C[C@H]1CN(c2ccc(C[NH2+]C3CC3)nn2)CCO1 ZINC000051400223 132361084 /nfs/dbraw/zinc/36/10/84/132361084.db2.gz RQTVAYMFACOANQ-JTQLQIEISA-N 1 0 248.330 0.954 10 0 BCAERO [NH3+]Cc1cc(Cl)ccc1N1CCNC(=O)C1 ZINC000052856537 132362606 /nfs/dbraw/zinc/36/26/06/132362606.db2.gz ZKXCWWKCBWVWBN-UHFFFAOYSA-N 1 0 239.706 0.735 10 0 BCAERO NC(=O)c1c(Cl)cccc1N1CC[NH2+]CC1 ZINC000052903038 132362718 /nfs/dbraw/zinc/36/27/18/132362718.db2.gz NZXYQEYBIAYUNK-UHFFFAOYSA-N 1 0 239.706 0.849 10 0 BCAERO C[C@H]1CC[C@@H](C[NH3+])CN1c1ncnc2nc[nH]c21 ZINC000053704092 132363181 /nfs/dbraw/zinc/36/31/81/132363181.db2.gz UHNJTNYGDJOFSJ-IUCAKERBSA-N 1 0 246.318 0.917 10 0 BCAERO COc1ccnc(N2C[C@H](C)[NH2+][C@@H](C)C2)n1 ZINC000053712152 132363704 /nfs/dbraw/zinc/36/37/04/132363704.db2.gz JUFCSBMQHBOQPO-IUCAKERBSA-N 1 0 222.292 0.672 10 0 BCAERO C[C@H]1CN(c2nccnc2C(N)=[NH2+])C[C@H](C)O1 ZINC000054379486 132364615 /nfs/dbraw/zinc/36/46/15/132364615.db2.gz LGGSFCFAAFDSSM-YUMQZZPRSA-N 1 0 235.291 0.374 10 0 BCAERO Cc1ccnc(N2CCN([C@@H](C)C[NH3+])CC2)c1 ZINC000058022116 132367922 /nfs/dbraw/zinc/36/79/22/132367922.db2.gz KTVPMCUYWPRWIY-LBPRGKRZSA-N 1 0 234.347 0.859 10 0 BCAERO [NH3+]Cc1nccnc1N1CCn2ccnc2C1 ZINC000062245241 132387695 /nfs/dbraw/zinc/38/76/95/132387695.db2.gz AQOJVJWWWQPJGP-UHFFFAOYSA-N 1 0 230.275 0.152 10 0 BCAERO [NH3+]Cc1cccc(N2CCC[C@H](O)C2)n1 ZINC000070233162 132390914 /nfs/dbraw/zinc/39/09/14/132390914.db2.gz XZMWAZKFVJVQFG-JTQLQIEISA-N 1 0 207.277 0.501 10 0 BCAERO [NH3+]Cc1cccc(N2CCC[C@@H](O)C2)n1 ZINC000070233165 132391328 /nfs/dbraw/zinc/39/13/28/132391328.db2.gz XZMWAZKFVJVQFG-SNVBAGLBSA-N 1 0 207.277 0.501 10 0 BCAERO C[C@@H](O)c1ccc(N2CC[NH2+]CC2)c(N)c1 ZINC000253560881 132458252 /nfs/dbraw/zinc/45/82/52/132458252.db2.gz BJRDHXNAILANRB-SECBINFHSA-N 1 0 221.304 0.732 10 0 BCAERO COC(=O)C[C@@H]1CSCC[N@@H+]1CC(C)(C)O ZINC000157968693 133495325 /nfs/dbraw/zinc/49/53/25/133495325.db2.gz QXWDBSHBABWYOL-SECBINFHSA-N 1 0 247.360 0.738 10 0 BCAERO Cc1noc(CNC(=O)[C@H]2CCC[C@@H]2[NH3+])n1 ZINC000082921086 133508367 /nfs/dbraw/zinc/50/83/67/133508367.db2.gz KMWANHJVPDYXBK-YUMQZZPRSA-N 1 0 224.264 0.122 10 0 BCAERO COC(=O)CCN1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000083118742 133517465 /nfs/dbraw/zinc/51/74/65/133517465.db2.gz POCNRFKLQKWXCD-BDAKNGLRSA-N 1 0 200.282 0.232 10 0 BCAERO CCN(CC1CC1)C(=O)[C@H]([NH3+])COC ZINC000088004419 133544704 /nfs/dbraw/zinc/54/47/04/133544704.db2.gz VGLFNNMJINJKIQ-SECBINFHSA-N 1 0 200.282 0.219 10 0 BCAERO CC[C@H](C)NC(=O)CN1CC[C@H](C)C[C@H]1C[NH3+] ZINC000251954139 133648448 /nfs/dbraw/zinc/64/84/48/133648448.db2.gz UWUQVRBXUXSBFQ-SRVKXCTJSA-N 1 0 241.379 0.960 10 0 BCAERO C[C@H]1CCCN(c2ccc(C(N)=O)cn2)[C@H]1C[NH3+] ZINC000252197979 133648969 /nfs/dbraw/zinc/64/89/69/133648969.db2.gz SRKAHRJYRDRUGJ-ONGXEEELSA-N 1 0 248.330 0.744 10 0 BCAERO c1cnc(N2CC[C@H]3[NH2+]CC[C@@H]3C2)cn1 ZINC000253182950 133653097 /nfs/dbraw/zinc/65/30/97/133653097.db2.gz JKWBOTHPAFWJIV-NXEZZACHSA-N 1 0 204.277 0.665 10 0 BCAERO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCn2ccnc2C1 ZINC000334683756 133720988 /nfs/dbraw/zinc/72/09/88/133720988.db2.gz ISTMSOKSCJISBF-QWRGUYRKSA-N 1 0 248.330 0.613 10 0 BCAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)c1cn2ccccc2n1 ZINC000335439565 133846084 /nfs/dbraw/zinc/84/60/84/133846084.db2.gz VJSSATVWNMCJEA-ZJUUUORDSA-N 1 0 244.298 0.896 10 0 BCAERO COCCCCNC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000085012353 134220973 /nfs/dbraw/zinc/22/09/73/134220973.db2.gz PIKZHSZZBFMRHI-NXEZZACHSA-N 1 0 214.309 0.657 10 0 BCAERO CCOC(=O)CCNC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000085012528 134221533 /nfs/dbraw/zinc/22/15/33/134221533.db2.gz XCYGBGYWWMYZNB-BDAKNGLRSA-N 1 0 228.292 0.183 10 0 BCAERO COc1ccnc(N2CC[C@@H]([C@H](C)[NH3+])C2)n1 ZINC000168579384 134227120 /nfs/dbraw/zinc/22/71/20/134227120.db2.gz ZYBMMJYMVFIJPS-DTWKUNHWSA-N 1 0 222.292 0.659 10 0 BCAERO O=C1CC[C@@H]2CN(C[C@H]3CCC[NH2+]C3)CCN12 ZINC000168569936 134227151 /nfs/dbraw/zinc/22/71/51/134227151.db2.gz SAGZMRAWSUIKFV-NWDGAFQWSA-N 1 0 237.347 0.293 10 0 BCAERO CN(C)C(=O)CN(C)[C@@H]1CCC[NH2+]CC1 ZINC000168803805 134247082 /nfs/dbraw/zinc/24/70/82/134247082.db2.gz BEAYPSOBSHPLLV-SNVBAGLBSA-N 1 0 213.325 0.149 10 0 BCAERO C[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCCO2)C1 ZINC000170861354 134254231 /nfs/dbraw/zinc/25/42/31/134254231.db2.gz UGNHZBQXZLBWGQ-VHSXEESVSA-N 1 0 212.293 0.328 10 0 BCAERO COC(C)(C)C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000172305829 134265600 /nfs/dbraw/zinc/26/56/00/134265600.db2.gz RNKPSNJAGDQPOV-JTQLQIEISA-N 1 0 244.335 0.200 10 0 BCAERO COC(C)(C)C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000172305826 134265711 /nfs/dbraw/zinc/26/57/11/134265711.db2.gz RNKPSNJAGDQPOV-SNVBAGLBSA-N 1 0 244.335 0.200 10 0 BCAERO CN(C(=O)Cc1ccccc1)C1C[NH2+]C1 ZINC000085257524 134267327 /nfs/dbraw/zinc/26/73/27/134267327.db2.gz ILIUSVYFSFMFCT-UHFFFAOYSA-N 1 0 204.273 0.659 10 0 BCAERO Cc1cccc(C(=O)N(C)C2C[NH2+]C2)n1 ZINC000085257514 134267399 /nfs/dbraw/zinc/26/73/99/134267399.db2.gz LONREZJJDWYUIS-UHFFFAOYSA-N 1 0 205.261 0.434 10 0 BCAERO CN(C(=O)[C@H](O)c1ccccc1)C1C[NH2+]C1 ZINC000085257723 134270047 /nfs/dbraw/zinc/27/00/47/134270047.db2.gz KGBAXUWTZGQPBA-LLVKDONJSA-N 1 0 220.272 0.150 10 0 BCAERO Fc1cccnc1N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000085283788 134275002 /nfs/dbraw/zinc/27/50/02/134275002.db2.gz BYYOMNWBMBTIPZ-DTORHVGOSA-N 1 0 207.252 0.876 10 0 BCAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC(N)=O ZINC000175037777 134284440 /nfs/dbraw/zinc/28/44/40/134284440.db2.gz WJPXITRSNTWBFP-NXEZZACHSA-N 1 0 211.309 0.030 10 0 BCAERO C[C@H](C(=O)OC(C)(C)C)N(C)C(=O)C[NH+](C)C ZINC000175863344 134288598 /nfs/dbraw/zinc/28/85/98/134288598.db2.gz QACYSUPBEDUYDZ-SECBINFHSA-N 1 0 244.335 0.737 10 0 BCAERO C[C@H]1C[N@H+](CC(C)(C)O)C[C@@H]1N1CCOCC1 ZINC000177262864 134296500 /nfs/dbraw/zinc/29/65/00/134296500.db2.gz ROMMKSYBPUADKP-RYUDHWBXSA-N 1 0 242.363 0.410 10 0 BCAERO COCCC[N@@H+]1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000177262660 134296602 /nfs/dbraw/zinc/29/66/02/134296602.db2.gz UGHNGLUUJZQLIN-OLZOCXBDSA-N 1 0 242.363 0.675 10 0 BCAERO C[C@@H]1CC[N@H+](C[C@H](O)CN2CCCC2=O)[C@@H]1C ZINC000177066841 134297098 /nfs/dbraw/zinc/29/70/98/134297098.db2.gz OKUOSDRNDYLZBZ-UTUOFQBUSA-N 1 0 240.347 0.700 10 0 BCAERO O=C1NCC[C@H]1[NH+]1CCC(Cn2cccn2)CC1 ZINC000178200158 134304862 /nfs/dbraw/zinc/30/48/62/134304862.db2.gz HLTDLTPELFIMNN-GFCCVEGCSA-N 1 0 248.330 0.484 10 0 BCAERO Nc1cccc(C(=O)N2CCC[C@@H]2C[NH3+])c1 ZINC000178273339 134305567 /nfs/dbraw/zinc/30/55/67/134305567.db2.gz YYHHVALOENTQNA-LLVKDONJSA-N 1 0 219.288 0.832 10 0 BCAERO CCO[C@@H]1C[C@H]1C(=O)N1CCC[C@H]([NH3+])C1 ZINC000178331086 134308269 /nfs/dbraw/zinc/30/82/69/134308269.db2.gz CEHPVYAKCREKOB-IVZWLZJFSA-N 1 0 212.293 0.361 10 0 BCAERO CCO[C@@H]1C[C@@H]1C(=O)NCC[C@@H](C)[NH3+] ZINC000178700236 134313202 /nfs/dbraw/zinc/31/32/02/134313202.db2.gz BEZYVTSJWXBOPF-HRDYMLBCSA-N 1 0 200.282 0.265 10 0 BCAERO COC(=O)[C@H](C)C[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000223226702 134338075 /nfs/dbraw/zinc/33/80/75/134338075.db2.gz URRDADBCHVUYQL-KXUCPTDWSA-N 1 0 215.293 0.905 10 0 BCAERO COCCN(CCOC)C(=O)[C@H]1CCC[C@H]1[NH3+] ZINC000085358995 134343793 /nfs/dbraw/zinc/34/37/93/134343793.db2.gz IJIPXTWINUNGTP-WDEREUQCSA-N 1 0 244.335 0.235 10 0 BCAERO CO[C@H](C)C[N@H+]1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000182222378 134343811 /nfs/dbraw/zinc/34/38/11/134343811.db2.gz VVTHZYWSYOTSRZ-XQQFMLRXSA-N 1 0 242.363 0.674 10 0 BCAERO C[C@@H](O)C1CC[NH+](CC(C)(C)O)CC1 ZINC000225784390 134357402 /nfs/dbraw/zinc/35/74/02/134357402.db2.gz OYDFMQUBVGJRSN-SECBINFHSA-N 1 0 201.310 0.850 10 0 BCAERO C[NH2+]CCNc1ncncc1Br ZINC000085466575 134374479 /nfs/dbraw/zinc/37/44/79/134374479.db2.gz FQDDFLJYLGJMPR-UHFFFAOYSA-N 1 0 231.097 0.870 10 0 BCAERO Cc1nccc(C[NH2+]CCc2ccn(C)n2)n1 ZINC000227223593 134376203 /nfs/dbraw/zinc/37/62/03/134376203.db2.gz AMFKGEAHQHMYCO-UHFFFAOYSA-N 1 0 231.303 0.851 10 0 BCAERO CCN(CCC[NH+](C)C)CC(=O)OC ZINC000227225271 134376251 /nfs/dbraw/zinc/37/62/51/134376251.db2.gz IEJAEBRRHLSEHS-UHFFFAOYSA-N 1 0 202.298 0.433 10 0 BCAERO COCC(=O)N1C[C@@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000227354001 134378538 /nfs/dbraw/zinc/37/85/38/134378538.db2.gz NZLSKZYCNKRPLU-QWRGUYRKSA-N 1 0 226.320 0.718 10 0 BCAERO CCCCOC[C@H](O)C[N@H+](C)CCOC ZINC000227905973 134398285 /nfs/dbraw/zinc/39/82/85/134398285.db2.gz HCFNKAFOHPCXNF-LLVKDONJSA-N 1 0 219.325 0.742 10 0 BCAERO CCCCOC[C@H](O)C[N@@H+]1CCC[C@H]1CO ZINC000227913257 134398979 /nfs/dbraw/zinc/39/89/79/134398979.db2.gz ARUQGUVDWQGXSJ-NWDGAFQWSA-N 1 0 231.336 0.621 10 0 BCAERO CO[C@@H]1C[C@@H](NC(=O)C2C[NH2+]C2)C1(C)C ZINC000230051796 134478606 /nfs/dbraw/zinc/47/86/06/134478606.db2.gz NPLRAMSZNOJWBI-RKDXNWHRSA-N 1 0 212.293 0.136 10 0 BCAERO CCS[C@@H]1CCC[C@H]1NC(=O)C1C[NH2+]C1 ZINC000230051714 134478655 /nfs/dbraw/zinc/47/86/55/134478655.db2.gz DRTQYDGYWDIEDP-NXEZZACHSA-N 1 0 228.361 0.996 10 0 BCAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)[C@@H]1CCCOC1 ZINC000085727188 134516175 /nfs/dbraw/zinc/51/61/75/134516175.db2.gz RNLSGENNIHKGQT-HBNTYKKESA-N 1 0 226.320 0.670 10 0 BCAERO CCCCS(=O)(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000085727641 134517287 /nfs/dbraw/zinc/51/72/87/134517287.db2.gz DPILKTIRDAYLLY-VHSXEESVSA-N 1 0 234.365 0.846 10 0 BCAERO C[C@H]1CN(C(=O)c2cnn3ccccc23)C[C@@H]1[NH3+] ZINC000235685016 134597112 /nfs/dbraw/zinc/59/71/12/134597112.db2.gz JJYPLUZCDCDWCW-ONGXEEELSA-N 1 0 244.298 0.754 10 0 BCAERO Cc1cnccc1CNC(=O)[C@@H]1CC[NH2+]C1 ZINC000129840783 134614337 /nfs/dbraw/zinc/61/43/37/134614337.db2.gz CETFQEDRZCXPNO-LLVKDONJSA-N 1 0 219.288 0.616 10 0 BCAERO COC(=O)[C@@H](C)C[NH2+][C@H](C)c1nncn1C ZINC000050418883 134662312 /nfs/dbraw/zinc/66/23/12/134662312.db2.gz PTAKTMWJZULDTL-JGVFFNPUSA-N 1 0 226.280 0.275 10 0 BCAERO C[C@@H](O)C1CCN(C(=O)C[C@H]2CCC[NH2+]2)CC1 ZINC000155202747 134687469 /nfs/dbraw/zinc/68/74/69/134687469.db2.gz BLMKCJZBNACEBR-ZYHUDNBSSA-N 1 0 240.347 0.748 10 0 BCAERO C[NH2+]C[C@@H](C)C(=O)N1CCS[C@@H](C)C1 ZINC000155693481 134695756 /nfs/dbraw/zinc/69/57/56/134695756.db2.gz XMRBDVXVEGOEGK-BDAKNGLRSA-N 1 0 216.350 0.806 10 0 BCAERO Cc1nnc(NCC[C@@H]2CC[NH2+]C2)nc1C ZINC000158976010 134756866 /nfs/dbraw/zinc/75/68/66/134756866.db2.gz XVJLCRLCCXCAJQ-JTQLQIEISA-N 1 0 221.308 0.900 10 0 BCAERO [NH3+]C1CCN(C(=O)Cc2ccccn2)CC1 ZINC000036753370 134869518 /nfs/dbraw/zinc/86/95/18/134869518.db2.gz MFWVSKMVZATQJV-UHFFFAOYSA-N 1 0 219.288 0.574 10 0 BCAERO CO[C@H](C)CC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000249802121 135045361 /nfs/dbraw/zinc/04/53/61/135045361.db2.gz AIGUDHZJJJVDAA-MNOVXSKESA-N 1 0 226.320 0.718 10 0 BCAERO CCOC[C@H](O)C[N@@H+]1CCC[C@H]1CCCO ZINC000250466042 135054942 /nfs/dbraw/zinc/05/49/42/135054942.db2.gz BIHKERGCQCJGSF-NWDGAFQWSA-N 1 0 231.336 0.621 10 0 BCAERO CNC(=O)[C@@H]1CCCC[N@@H+]1C[C@H](C)C(=O)OC ZINC000251149574 135065551 /nfs/dbraw/zinc/06/55/51/135065551.db2.gz XYFVRTGKDQSTDC-UWVGGRQHSA-N 1 0 242.319 0.396 10 0 BCAERO CCONC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000251543963 135070698 /nfs/dbraw/zinc/07/06/98/135070698.db2.gz GOLNGIFMZIWQOX-NXEZZACHSA-N 1 0 227.308 0.816 10 0 BCAERO COC(=O)[C@H](C1CC1)N1C[C@H](C)[C@H]([NH+](C)C)C1 ZINC000251870874 135079795 /nfs/dbraw/zinc/07/97/95/135079795.db2.gz TZSSHZCZWOGCQV-WCQGTBRESA-N 1 0 240.347 0.820 10 0 BCAERO COC[C@@H](C)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000245815006 135081780 /nfs/dbraw/zinc/08/17/80/135081780.db2.gz JARJSSJUURPWMY-MNOVXSKESA-N 1 0 226.320 0.576 10 0 BCAERO C[C@H]1CCCN(c2ncnc3nc[nH]c32)[C@H]1C[NH3+] ZINC000252085671 135082959 /nfs/dbraw/zinc/08/29/59/135082959.db2.gz CTYACOWDHSUKNB-IUCAKERBSA-N 1 0 246.318 0.917 10 0 BCAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@H]1CCCO1 ZINC000252443640 135089960 /nfs/dbraw/zinc/08/99/60/135089960.db2.gz DCDFFLZQRSEIIS-IJLUTSLNSA-N 1 0 238.331 0.861 10 0 BCAERO CC[C@H](O)CCNC(=O)[C@@H]1CCC[C@H]1[NH3+] ZINC000252715916 135101575 /nfs/dbraw/zinc/10/15/75/135101575.db2.gz XBXQPPKRVDRRCG-IVZWLZJFSA-N 1 0 214.309 0.391 10 0 BCAERO C1C[C@H]2CN(C3CCOCC3)CC[N@@H+]2C1 ZINC000086930805 135102936 /nfs/dbraw/zinc/10/29/36/135102936.db2.gz VZMHOYFGOHBUDS-LBPRGKRZSA-N 1 0 210.321 0.945 10 0 BCAERO CC[N@H+](CCCO)[C@H]1CCCC[C@H]1O ZINC000252725939 135102980 /nfs/dbraw/zinc/10/29/80/135102980.db2.gz IJCQBNWTJHXEAO-WDEREUQCSA-N 1 0 201.310 0.994 10 0 BCAERO Cc1n[nH]c(C)c1CN1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000261583545 135109694 /nfs/dbraw/zinc/10/96/94/135109694.db2.gz PCWQDMPOHSKHAD-HQJQHLMTSA-N 1 0 208.309 0.806 10 0 BCAERO CC1(C)CCN(C(=O)[C@H]([NH3+])C2CCOCC2)C1 ZINC000261836092 135112039 /nfs/dbraw/zinc/11/20/39/135112039.db2.gz QJHSJXGJMFYXCY-LLVKDONJSA-N 1 0 240.347 0.999 10 0 BCAERO CC1(CNC(=O)[C@@H]2CCCC[NH2+]2)COC1 ZINC000087198013 135112352 /nfs/dbraw/zinc/11/23/52/135112352.db2.gz KRCJUXUJRYFAKV-VIFPVBQESA-N 1 0 212.293 0.281 10 0 BCAERO C[C@]1(CNC(=O)[C@H]2CCC[C@@H]2[NH3+])CCCO1 ZINC000087254032 135115219 /nfs/dbraw/zinc/11/52/19/135115219.db2.gz ITIQROJSDYGLCP-JBLDHEPKSA-N 1 0 226.320 0.799 10 0 BCAERO CC(C)[C@@H](C)NC(=O)C[N@@H+]1CC[C@H](CCO)C1 ZINC000252891137 135115832 /nfs/dbraw/zinc/11/58/32/135115832.db2.gz JKFKDOUXFLDYBL-VXGBXAGGSA-N 1 0 242.363 0.851 10 0 BCAERO C[C@@H](C(=O)NC(C)(C)C)[N@@H+]1CC[C@H](CCO)C1 ZINC000252891480 135116756 /nfs/dbraw/zinc/11/67/56/135116756.db2.gz KSEYNNZNJFFVJA-WDEREUQCSA-N 1 0 242.363 0.994 10 0 BCAERO C[C@@H]1CC[NH2+][C@H](C(=O)NC[C@H]2CCC[C@@H]2O)C1 ZINC000253151453 135122024 /nfs/dbraw/zinc/12/20/24/135122024.db2.gz HIWRIHZDQHPYHN-WYUUTHIRSA-N 1 0 240.347 0.652 10 0 BCAERO C[C@H](CCCO)NC(=O)[C@H]1CCC[C@@H]1[NH3+] ZINC000087360054 135125247 /nfs/dbraw/zinc/12/52/47/135125247.db2.gz TYSZPAQNUZGYIJ-UTLUCORTSA-N 1 0 214.309 0.391 10 0 BCAERO CC(C)n1ccnc1CN1CC[NH2+]CC1 ZINC000257966339 135131986 /nfs/dbraw/zinc/13/19/86/135131986.db2.gz ZHPHOYLHYUFVAO-UHFFFAOYSA-N 1 0 208.309 0.869 10 0 BCAERO COc1ccc(CNC(=O)C2C[NH2+]C2)cc1F ZINC000258668852 135132957 /nfs/dbraw/zinc/13/29/57/135132957.db2.gz HXXAAJVYLASNJG-UHFFFAOYSA-N 1 0 238.262 0.670 10 0 BCAERO O=C(C[C@@H]1CC[NH2+]C1)NCCC1CCOCC1 ZINC000258698054 135133422 /nfs/dbraw/zinc/13/34/22/135133422.db2.gz KVRHORQWHLZCBL-LBPRGKRZSA-N 1 0 240.347 0.919 10 0 BCAERO [NH3+]C1(C(=O)NCCC2CCOCC2)CC1 ZINC000258832392 135134640 /nfs/dbraw/zinc/13/46/40/135134640.db2.gz RYXBQFSJBHRNNZ-UHFFFAOYSA-N 1 0 212.293 0.411 10 0 BCAERO Cc1ccnc(N2CC[C@@H](N3CC[NH2+]CC3)C2)c1 ZINC000257691231 135139131 /nfs/dbraw/zinc/13/91/31/135139131.db2.gz JFJZAFPGWVPGDR-CYBMUJFWSA-N 1 0 246.358 0.874 10 0 BCAERO CC[C@@H](NC(=O)C[C@H]1COCC[NH2+]1)C(C)C ZINC000087509266 135149741 /nfs/dbraw/zinc/14/97/41/135149741.db2.gz XLNDCOKHRAJAAX-WDEREUQCSA-N 1 0 228.336 0.916 10 0 BCAERO CSC[C@@H](C)C(=O)N(C)C1C[NH2+]C1 ZINC000261527414 135152459 /nfs/dbraw/zinc/15/24/59/135152459.db2.gz AZVOIWBIYCRDEO-SSDOTTSWSA-N 1 0 202.323 0.416 10 0 BCAERO CCNC(=O)[C@@]1(CCOC)CC[NH2+]C1 ZINC000261528283 135153372 /nfs/dbraw/zinc/15/33/72/135153372.db2.gz LTCDPBGQRQOHOJ-SNVBAGLBSA-N 1 0 200.282 0.139 10 0 BCAERO C[NH2+][C@@H](C)CNC(=O)COCC1CC1 ZINC000261528468 135153821 /nfs/dbraw/zinc/15/38/21/135153821.db2.gz OKXKEDQIHAKXIX-QMMMGPOBSA-N 1 0 200.282 0.137 10 0 BCAERO CCCS(=O)(=O)N1CC[C@@H]([NH3+])[C@@H]1C ZINC000261529242 135155233 /nfs/dbraw/zinc/15/52/33/135155233.db2.gz QHZDKZZVRXCIHZ-JGVFFNPUSA-N 1 0 206.311 0.148 10 0 BCAERO COC[C@@H]([NH3+])C(=O)NC[C@@H]1CC1(C)C ZINC000261529303 135156120 /nfs/dbraw/zinc/15/61/20/135156120.db2.gz RACNIWZGEWDCDC-JGVFFNPUSA-N 1 0 200.282 0.122 10 0 BCAERO C[NH2+][C@@H](C)CNC(=O)[C@@H](C)CSC ZINC000261529798 135156280 /nfs/dbraw/zinc/15/62/80/135156280.db2.gz VUMMCXUYTJJNIM-YUMQZZPRSA-N 1 0 204.339 0.710 10 0 BCAERO C[C@H]([NH3+])C(=O)N1CCC[C@@H]1C[C@H](C)O ZINC000261529957 135156372 /nfs/dbraw/zinc/15/63/72/135156372.db2.gz WHICQRFFRAXXQY-XHNCKOQMSA-N 1 0 200.282 0.096 10 0 BCAERO CCOC(=O)[C@H](C)N1C[C@H](C)[C@H]([NH3+])C1 ZINC000261530023 135156558 /nfs/dbraw/zinc/15/65/58/135156558.db2.gz XDFDCRYIDNKZDC-XHNCKOQMSA-N 1 0 200.282 0.217 10 0 BCAERO C[C@@H]1[C@@H]([NH3+])CCN1S(=O)(=O)CCC1CC1 ZINC000261530848 135158590 /nfs/dbraw/zinc/15/85/90/135158590.db2.gz DHKRTDNXJBGNIK-SCZZXKLOSA-N 1 0 232.349 0.538 10 0 BCAERO CC(C)(C)[C@H](O)CNC(=O)C1([NH3+])CC1 ZINC000261530977 135158811 /nfs/dbraw/zinc/15/88/11/135158811.db2.gz DTNLMAILQBMAGX-SSDOTTSWSA-N 1 0 200.282 0.001 10 0 BCAERO O=S(=O)(NC[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000087655155 135161709 /nfs/dbraw/zinc/16/17/09/135161709.db2.gz FEJBRIRRQVPZNX-SNVBAGLBSA-N 1 0 240.328 0.574 10 0 BCAERO Cc1cnn(CCN2C[C@H]([NH3+])[C@@H](C)C2)c1 ZINC000261531965 135161850 /nfs/dbraw/zinc/16/18/50/135161850.db2.gz INLKACOPJAKYSU-QWRGUYRKSA-N 1 0 208.309 0.471 10 0 BCAERO Cc1c(C(=O)NC[C@@H]2CC[NH2+]C2)cnn1C ZINC000087654673 135161925 /nfs/dbraw/zinc/16/19/25/135161925.db2.gz XNPSNLRQCYSOQG-SECBINFHSA-N 1 0 222.292 0.068 10 0 BCAERO O=C(CC[C@H]1CCCO1)NC[C@@H]1CC[NH2+]C1 ZINC000087655027 135161981 /nfs/dbraw/zinc/16/19/81/135161981.db2.gz WAPWQILTYGOXSD-GHMZBOCLSA-N 1 0 226.320 0.671 10 0 BCAERO COc1cc(NC[C@@H]2CC[NH2+]C2)ncn1 ZINC000087655355 135162723 /nfs/dbraw/zinc/16/27/23/135162723.db2.gz HVBCLBKBDCNOOD-MRVPVSSYSA-N 1 0 208.265 0.507 10 0 BCAERO COC[C@H]([NH3+])C(=O)N[C@@H]1CCC[C@H](SC)C1 ZINC000261534778 135168183 /nfs/dbraw/zinc/16/81/83/135168183.db2.gz UDIKHHCMFLLTCI-UTLUCORTSA-N 1 0 246.376 0.751 10 0 BCAERO CCCC(=O)N[C@@H]1CCCN(CC[NH3+])C1 ZINC000261537206 135174080 /nfs/dbraw/zinc/17/40/80/135174080.db2.gz VFMMAWXJDOSKMC-SNVBAGLBSA-N 1 0 213.325 0.326 10 0 BCAERO C[C@@H]1[C@H]([NH3+])CCN1S(=O)(=O)CC(C)(C)C ZINC000261538273 135175222 /nfs/dbraw/zinc/17/52/22/135175222.db2.gz XPJJUCDCCYCEJD-RKDXNWHRSA-N 1 0 234.365 0.784 10 0 BCAERO CCCNC(=O)[C@H](C)N1C[C@H](C)[C@H]([NH3+])C1 ZINC000261538568 135176219 /nfs/dbraw/zinc/17/62/19/135176219.db2.gz YOXHTGXGFAYGAR-LPEHRKFASA-N 1 0 213.325 0.180 10 0 BCAERO COC[C@H]([NH3+])C(=O)N1CC[C@@H](C)[C@@H]1C ZINC000261538703 135176323 /nfs/dbraw/zinc/17/63/23/135176323.db2.gz YZNRXRHCFZWQDH-VGMNWLOBSA-N 1 0 200.282 0.217 10 0 BCAERO Cc1c[nH]cc1C(=O)NC[C@@H]1CC[NH2+]C1 ZINC000261539436 135178006 /nfs/dbraw/zinc/17/80/06/135178006.db2.gz CLIGWLDZZKIUGR-SECBINFHSA-N 1 0 207.277 0.662 10 0 BCAERO C[NH2+]C[C@@H]1CCN(C(=O)[C@H](C)COC)C1 ZINC000261539769 135178784 /nfs/dbraw/zinc/17/87/84/135178784.db2.gz DCMOXISTDXLVDZ-ZJUUUORDSA-N 1 0 214.309 0.337 10 0 BCAERO O[C@H]1C[NH2+]C[C@@H]1CNCc1ncc(Cl)s1 ZINC000261539745 135178800 /nfs/dbraw/zinc/17/88/00/135178800.db2.gz DBTOFCSWPGJAFB-RQJHMYQMSA-N 1 0 247.751 0.466 10 0 BCAERO C[C@H](O)C1CCN(C(=O)[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000261540146 135179065 /nfs/dbraw/zinc/17/90/65/135179065.db2.gz DXAMFMWQQNHQIL-WCQGTBRESA-N 1 0 240.347 0.733 10 0 BCAERO CC[C@H](C)NC(=O)CN(C)[C@H]1CCC[NH2+]CC1 ZINC000261540118 135179487 /nfs/dbraw/zinc/17/94/87/135179487.db2.gz DPHBFXOZCAVZOD-RYUDHWBXSA-N 1 0 241.379 0.975 10 0 BCAERO C[C@]1(CNC(=O)[C@@H]2CC[NH2+]C2)CCOC1 ZINC000261540825 135180482 /nfs/dbraw/zinc/18/04/82/135180482.db2.gz FIAFXJMFXCMWJY-MWLCHTKSSA-N 1 0 212.293 0.139 10 0 BCAERO C[C@H]1CN(CC(=O)N2CCC(C)CC2)C[C@H]1[NH3+] ZINC000261541065 135181365 /nfs/dbraw/zinc/18/13/65/135181365.db2.gz JEAYRGPJXQYCEO-NWDGAFQWSA-N 1 0 239.363 0.524 10 0 BCAERO FC(F)n1ccc(CN2CC[NH2+]CC2)n1 ZINC000261542060 135182792 /nfs/dbraw/zinc/18/27/92/135182792.db2.gz GLKSVKUVSUUGAE-UHFFFAOYSA-N 1 0 216.235 0.683 10 0 BCAERO Cc1cc(C(=O)N[C@H]2CCC[C@@H]2C[NH3+])nn1C ZINC000261542881 135183159 /nfs/dbraw/zinc/18/31/59/135183159.db2.gz RFDDOYMTMGMAIQ-ZJUUUORDSA-N 1 0 236.319 0.586 10 0 BCAERO C[C@H](C(=O)NC[C@@H]1CC[NH2+]C1)C(F)(F)F ZINC000261543198 135183789 /nfs/dbraw/zinc/18/37/89/135183789.db2.gz HPPHCBVOQDKLIE-RNFRBKRXSA-N 1 0 224.226 0.911 10 0 BCAERO COC[C@H](C)C(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000261548346 135186723 /nfs/dbraw/zinc/18/67/23/135186723.db2.gz NNCGDCLDYIWGAV-LPEHRKFASA-N 1 0 214.309 0.465 10 0 BCAERO COc1ccnc(N2CC[C@@H]3[NH2+]CC[C@@H]3C2)n1 ZINC000261545100 135186856 /nfs/dbraw/zinc/18/68/56/135186856.db2.gz FMWAIWUXXJYTNY-ZJUUUORDSA-N 1 0 234.303 0.673 10 0 BCAERO Cn1cc(C(=O)N2CC[C@H]([NH3+])C(C)(C)C2)cn1 ZINC000261548994 135187213 /nfs/dbraw/zinc/18/72/13/135187213.db2.gz KCMRLFGBRYRHIE-JTQLQIEISA-N 1 0 236.319 0.620 10 0 BCAERO CCc1nc(C)cc(NC[C@H]2C[NH2+]CCO2)n1 ZINC000261548549 135187342 /nfs/dbraw/zinc/18/73/42/135187342.db2.gz JOYPNTMDBWRYTE-SNVBAGLBSA-N 1 0 236.319 0.748 10 0 BCAERO CCC(CC)CS(=O)(=O)NC[C@@H](C)[NH2+]C ZINC000261548975 135187358 /nfs/dbraw/zinc/18/73/58/135187358.db2.gz ODJQQQVYHNSHBX-SECBINFHSA-N 1 0 236.381 0.950 10 0 BCAERO COc1cc(N2CC[C@H]3[NH2+]CC[C@H]3C2)ncn1 ZINC000261549552 135188372 /nfs/dbraw/zinc/18/83/72/135188372.db2.gz KPGPBLMKZJBOKJ-VHSXEESVSA-N 1 0 234.303 0.673 10 0 BCAERO COc1cc(N2CC[C@@H]3[NH2+]CC[C@H]3C2)ncn1 ZINC000261549551 135188692 /nfs/dbraw/zinc/18/86/92/135188692.db2.gz KPGPBLMKZJBOKJ-UWVGGRQHSA-N 1 0 234.303 0.673 10 0 BCAERO Cc1c(CN2CC[NH2+]C[C@@H]2C)cnn1C ZINC000261551324 135190101 /nfs/dbraw/zinc/19/01/01/135190101.db2.gz QIJNFEPZAYLRFB-VIFPVBQESA-N 1 0 208.309 0.522 10 0 BCAERO C[C@H]1CN(C)CCN1C(=O)CC[C@H]1CCC[NH2+]1 ZINC000261551256 135190122 /nfs/dbraw/zinc/19/01/22/135190122.db2.gz LXWDYMKWDRRRIU-NWDGAFQWSA-N 1 0 239.363 0.681 10 0 BCAERO CN(C(=O)[C@@H]1CC12CCCC2)C1C[NH2+]C1 ZINC000261550920 135190551 /nfs/dbraw/zinc/19/05/51/135190551.db2.gz PYQGPRRHWZWDAJ-JTQLQIEISA-N 1 0 208.305 0.997 10 0 BCAERO C[C@H]1CCN(C(=O)[C@@H]2C[NH2+]CCO2)[C@H]1C ZINC000261552334 135191068 /nfs/dbraw/zinc/19/10/68/135191068.db2.gz RDBJLCQIAHRAGQ-GUBZILKMSA-N 1 0 212.293 0.232 10 0 BCAERO COC[C@]1(CNc2ncc(F)cn2)CCC[NH2+]1 ZINC000261552585 135191516 /nfs/dbraw/zinc/19/15/16/135191516.db2.gz NCZLIAIFEXHSIV-LLVKDONJSA-N 1 0 240.282 0.796 10 0 BCAERO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)[C@@H]1CCCO1 ZINC000084213079 135192085 /nfs/dbraw/zinc/19/20/85/135192085.db2.gz PSVBOGVZYDFCFU-VWYCJHECSA-N 1 0 226.320 0.799 10 0 BCAERO CSCC(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000084212564 135192105 /nfs/dbraw/zinc/19/21/05/135192105.db2.gz RDSGTZNNMPAREN-SFYZADRCSA-N 1 0 202.323 0.593 10 0 BCAERO C[C@@H]1COC[C@@H](C)N1C(=O)[C@H]1CC[NH2+]C1 ZINC000261553500 135192921 /nfs/dbraw/zinc/19/29/21/135192921.db2.gz SOVMALNAOJXQIX-BBBLOLIVSA-N 1 0 212.293 0.232 10 0 BCAERO O=C(NC[C@H]1CCC[C@@H]1O)[C@H]1CCCC[NH2+]1 ZINC000084238735 135194287 /nfs/dbraw/zinc/19/42/87/135194287.db2.gz MYHIXKBVYYQCNO-MXWKQRLJSA-N 1 0 226.320 0.406 10 0 BCAERO CC(C)(C)[C@H]([NH3+])C(=O)NC[C@H]1CCC[C@H]1O ZINC000084238394 135194436 /nfs/dbraw/zinc/19/44/36/135194436.db2.gz OMXLCVOJTCUMIA-OPRDCNLKSA-N 1 0 228.336 0.637 10 0 BCAERO O=C(NC[C@H]1CCC[C@H]1O)[C@@H]1CCC[NH2+]1 ZINC000084238538 135194463 /nfs/dbraw/zinc/19/44/63/135194463.db2.gz ITAJELBABIXTPJ-KXUCPTDWSA-N 1 0 212.293 0.016 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N1C[C@H](O)[C@H](CC)C1 ZINC000261555187 135195429 /nfs/dbraw/zinc/19/54/29/135195429.db2.gz UVWARMZOYDKQER-UTLUCORTSA-N 1 0 214.309 0.343 10 0 BCAERO C[C@@H](CC1CC1)NC(=O)COC1C[NH2+]C1 ZINC000261557004 135197034 /nfs/dbraw/zinc/19/70/34/135197034.db2.gz WPNPZOBHBUSESE-QMMMGPOBSA-N 1 0 212.293 0.280 10 0 BCAERO CO[C@H](CNC(=O)C1C[NH2+]C1)C(C)(C)C ZINC000261558378 135199301 /nfs/dbraw/zinc/19/93/01/135199301.db2.gz YGAYXXLPTJEAAU-SECBINFHSA-N 1 0 214.309 0.383 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000261558545 135199590 /nfs/dbraw/zinc/19/95/90/135199590.db2.gz YKEJCMKQGNGMHZ-OUAUKWLOSA-N 1 0 226.320 0.609 10 0 BCAERO CCCc1nc([C@H]2C[NH2+]CCN2C)no1 ZINC000261559714 135200367 /nfs/dbraw/zinc/20/03/67/135200367.db2.gz ZGPZKYRCSHMNSW-MRVPVSSYSA-N 1 0 210.281 0.598 10 0 BCAERO Cc1cc(C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)nn1C ZINC000261560237 135200814 /nfs/dbraw/zinc/20/08/14/135200814.db2.gz FBSNOONMVWUXFL-DCAQKATOSA-N 1 0 248.330 0.538 10 0 BCAERO C[C@@H](NC(=O)[C@H]1CC[NH2+]C1)[C@H]1CCCO1 ZINC000261560120 135201005 /nfs/dbraw/zinc/20/10/05/135201005.db2.gz ZQYSGDDMOQARKB-KXUCPTDWSA-N 1 0 212.293 0.280 10 0 BCAERO Cc1cc(C(=O)N2CC[C@@H]([NH3+])C(C)(C)C2)[nH]n1 ZINC000261561131 135201911 /nfs/dbraw/zinc/20/19/11/135201911.db2.gz VELMYZUMVDQKOE-SNVBAGLBSA-N 1 0 236.319 0.918 10 0 BCAERO COCCOCC(=O)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261564634 135206725 /nfs/dbraw/zinc/20/67/25/135206725.db2.gz XTYWTFNYTWZIIV-SNVBAGLBSA-N 1 0 244.335 0.235 10 0 BCAERO CC(C)OCC(=O)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261566846 135208772 /nfs/dbraw/zinc/20/87/72/135208772.db2.gz DQBKRFHZSUHGQR-SNVBAGLBSA-N 1 0 228.336 0.997 10 0 BCAERO O=C(CC[C@H]1CCC[NH2+]1)NC[C@@H]1COCCO1 ZINC000261567408 135209156 /nfs/dbraw/zinc/20/91/56/135209156.db2.gz ZSQIXAFKZNUTRZ-GHMZBOCLSA-N 1 0 242.319 0.050 10 0 BCAERO COc1ccnc(N2CC[C@H](C)[C@@H](C[NH3+])C2)n1 ZINC000163972189 135209835 /nfs/dbraw/zinc/20/98/35/135209835.db2.gz BXOMKVVUFHHWSI-UWVGGRQHSA-N 1 0 236.319 0.906 10 0 BCAERO C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NC(=O)[C@@H]1CCCO1 ZINC000261568417 135210494 /nfs/dbraw/zinc/21/04/94/135210494.db2.gz FONOUPOPVFSGLC-RCWTZXSCSA-N 1 0 226.320 0.668 10 0 BCAERO CN(C)c1nccc(N2CC[C@H]3[NH2+]CC[C@@H]3C2)n1 ZINC000261569826 135212223 /nfs/dbraw/zinc/21/22/23/135212223.db2.gz KBKISVLNFSBBET-GHMZBOCLSA-N 1 0 247.346 0.731 10 0 BCAERO Cc1nccnc1N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261571030 135213025 /nfs/dbraw/zinc/21/30/25/135213025.db2.gz HICXZDUFSIEPTG-GFCCVEGCSA-N 1 0 218.304 0.975 10 0 BCAERO C[NH2+]C[C@@H]1CCN(c2nc(C)cc(OC)n2)C1 ZINC000164175865 135213950 /nfs/dbraw/zinc/21/39/50/135213950.db2.gz UWMVCSHZXFLTBB-JTQLQIEISA-N 1 0 236.319 0.839 10 0 BCAERO CCC[C@H]([NH3+])C(=O)NC[C@H](OC)C(C)C ZINC000261572397 135214338 /nfs/dbraw/zinc/21/43/38/135214338.db2.gz ICROUUQBKJSUPN-UWVGGRQHSA-N 1 0 216.325 0.901 10 0 BCAERO Cc1nccc(N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)n1 ZINC000261571749 135214388 /nfs/dbraw/zinc/21/43/88/135214388.db2.gz HUTAGUYJDSHVNS-GARJFASQSA-N 1 0 218.304 0.959 10 0 BCAERO C(c1nc([C@H]2CCOC2)no1)[C@H]1CC[NH2+]C1 ZINC000084380397 135215624 /nfs/dbraw/zinc/21/56/24/135215624.db2.gz OAKJEOZHLVMSQC-BDAKNGLRSA-N 1 0 223.276 0.726 10 0 BCAERO O=C(CC[C@H]1CCC[NH2+]1)NC[C@@H]1CCOC1 ZINC000261576921 135218323 /nfs/dbraw/zinc/21/83/23/135218323.db2.gz KRGFDLLNXDYCPF-WDEREUQCSA-N 1 0 226.320 0.671 10 0 BCAERO O=C(CC[C@@H]1CCC[NH2+]1)NC[C@H]1CCOC1 ZINC000261576917 135218806 /nfs/dbraw/zinc/21/88/06/135218806.db2.gz KRGFDLLNXDYCPF-MNOVXSKESA-N 1 0 226.320 0.671 10 0 BCAERO Cc1nc(C)c(C(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)o1 ZINC000261578411 135219112 /nfs/dbraw/zinc/21/91/12/135219112.db2.gz OXRQCMLXNPOARV-QWRGUYRKSA-N 1 0 249.314 0.973 10 0 BCAERO O=C([C@H]1CCCO1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261580639 135221406 /nfs/dbraw/zinc/22/14/06/135221406.db2.gz NAFSJRIJAQNAIW-GARJFASQSA-N 1 0 224.304 0.376 10 0 BCAERO CNC(=O)c1ccc(N2CC[C@](C)(C[NH3+])C2)nn1 ZINC000261580782 135221591 /nfs/dbraw/zinc/22/15/91/135221591.db2.gz QFRLRTNWNBIVKO-GFCCVEGCSA-N 1 0 249.318 0.011 10 0 BCAERO CCOC(=O)[C@H](C)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261582336 135223024 /nfs/dbraw/zinc/22/30/24/135223024.db2.gz OEXSQRKEZUDSFQ-XWLWVQCSSA-N 1 0 226.320 0.607 10 0 BCAERO CCOC(=O)[C@H](C)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261582335 135223165 /nfs/dbraw/zinc/22/31/65/135223165.db2.gz OEXSQRKEZUDSFQ-UKKRHICBSA-N 1 0 226.320 0.607 10 0 BCAERO CCOC(=O)[C@H](C)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261582333 135223702 /nfs/dbraw/zinc/22/37/02/135223702.db2.gz OEXSQRKEZUDSFQ-MMWGEVLESA-N 1 0 226.320 0.607 10 0 BCAERO Cn1cc([C@H]2CCCN2C(=O)CC[NH3+])cn1 ZINC000261586715 135227421 /nfs/dbraw/zinc/22/74/21/135227421.db2.gz RJKAXAYSDUXBCX-SNVBAGLBSA-N 1 0 222.292 0.432 10 0 BCAERO C[C@H]([NH3+])C(=O)N1CCC[C@@H]1c1cnn(C)c1 ZINC000261588276 135229011 /nfs/dbraw/zinc/22/90/11/135229011.db2.gz SHXZZSZOTJVWSW-WCBMZHEXSA-N 1 0 222.292 0.431 10 0 BCAERO Cc1c(CN2CC[C@](C)(C[NH3+])C2)cnn1C ZINC000261589102 135229816 /nfs/dbraw/zinc/22/98/16/135229816.db2.gz SYWBNCAGXJRNCJ-GFCCVEGCSA-N 1 0 222.336 0.899 10 0 BCAERO [NH3+]C[C@@H]1CCCN1CCN1CCCC1=O ZINC000261589366 135229957 /nfs/dbraw/zinc/22/99/57/135229957.db2.gz TWHVJNCWXPWOEH-JTQLQIEISA-N 1 0 211.309 0.032 10 0 BCAERO Cc1noc(CN2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)n1 ZINC000261591139 135231979 /nfs/dbraw/zinc/23/19/79/135231979.db2.gz VCABHQFCMPJOLT-AEJSXWLSSA-N 1 0 222.292 0.547 10 0 BCAERO CC(C)NC(=O)CN1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261596145 135235710 /nfs/dbraw/zinc/23/57/10/135235710.db2.gz YNXGIQMLHPGWIZ-DCAQKATOSA-N 1 0 225.336 0.180 10 0 BCAERO CC[C@H](COC)NC(=O)[C@@H]([NH3+])C1CCOCC1 ZINC000261603814 135237611 /nfs/dbraw/zinc/23/76/11/135237611.db2.gz AHNQAOSVJCDTPX-MNOVXSKESA-N 1 0 244.335 0.282 10 0 BCAERO CO[C@H]1CCCC[C@H]1NC(=O)C1C[NH2+]C1 ZINC000261546390 135238188 /nfs/dbraw/zinc/23/81/88/135238188.db2.gz KZWCKBCOWQISSA-ZJUUUORDSA-N 1 0 212.293 0.280 10 0 BCAERO CC1(C)CN(C(=O)[C@@H]2CCCOC2)CC[C@H]1[NH3+] ZINC000261547680 135240889 /nfs/dbraw/zinc/24/08/89/135240889.db2.gz IMMBPHSMDJXRNH-GHMZBOCLSA-N 1 0 240.347 0.999 10 0 BCAERO COC[C@H](C)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000261548105 135241692 /nfs/dbraw/zinc/24/16/92/135241692.db2.gz MZSRVYYINTZQIA-GXSJLCMTSA-N 1 0 214.309 0.466 10 0 BCAERO C[C@H]1CCN(C(=O)Cc2cc[nH]n2)[C@@H](C[NH3+])C1 ZINC000261651168 135242524 /nfs/dbraw/zinc/24/25/24/135242524.db2.gz BLLLYHLIPSLJQN-GXSJLCMTSA-N 1 0 236.319 0.538 10 0 BCAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)NC[C@H]1CCC[C@@H]1O ZINC000261647694 135242966 /nfs/dbraw/zinc/24/29/66/135242966.db2.gz DGWYXWOETFUXJC-KKOKHZNYSA-N 1 0 240.347 0.639 10 0 BCAERO CCNC(=O)CCCC(=O)NC[C@@H](C)[NH2+]C ZINC000261663430 135243640 /nfs/dbraw/zinc/24/36/40/135243640.db2.gz GEXRCSKSEJQXQU-SECBINFHSA-N 1 0 229.324 0.017 10 0 BCAERO CC[C@H](NC(=O)[C@@H]1CCC[C@@H]1C[NH3+])C(=O)OC ZINC000261619349 135244693 /nfs/dbraw/zinc/24/46/93/135244693.db2.gz AQGHJDYWUZUEGO-BBBLOLIVSA-N 1 0 242.319 0.429 10 0 BCAERO [NH3+]C[C@@H]1CCCN1S(=O)(=O)CC1CCCC1 ZINC000261682300 135244819 /nfs/dbraw/zinc/24/48/19/135244819.db2.gz LWOKAXRRAZWJEL-NSHDSACASA-N 1 0 246.376 0.930 10 0 BCAERO C[C@H](NC(=O)[C@@H]([NH3+])C1CCOCC1)C1CC1 ZINC000261689707 135246190 /nfs/dbraw/zinc/24/61/90/135246190.db2.gz HKBWSXILKGFAJV-KWQFWETISA-N 1 0 226.320 0.655 10 0 BCAERO C[C@@H]1[NH2+]CCC[C@H]1NS(=O)(=O)c1ccco1 ZINC000261697001 135246724 /nfs/dbraw/zinc/24/67/24/135246724.db2.gz NPPLLEUZRWRIJO-DTWKUNHWSA-N 1 0 244.316 0.698 10 0 BCAERO Cc1ccc(CNC(=O)C2C[NH2+]C2)cc1 ZINC000084408392 135247989 /nfs/dbraw/zinc/24/79/89/135247989.db2.gz NZZBBXUOZUNODC-UHFFFAOYSA-N 1 0 204.273 0.831 10 0 BCAERO C[C@@H]1CN(C(=O)C2C[NH2+]C2)C[C@@H](C)S1 ZINC000084412439 135248330 /nfs/dbraw/zinc/24/83/30/135248330.db2.gz IFAXCWJCYJKTKM-HTQZYQBOSA-N 1 0 214.334 0.558 10 0 BCAERO Cc1csc([C@@H](C)NC(=O)C2C[NH2+]C2)n1 ZINC000084412567 135248572 /nfs/dbraw/zinc/24/85/72/135248572.db2.gz PWLHGAGLKBRZRP-SSDOTTSWSA-N 1 0 225.317 0.848 10 0 BCAERO C[C@@H]1CCN(C(=O)C2([NH3+])CCOCC2)[C@@H]1C ZINC000261785024 135252531 /nfs/dbraw/zinc/25/25/31/135252531.db2.gz HUBIPRIMQMUKKC-NXEZZACHSA-N 1 0 226.320 0.751 10 0 BCAERO C[C@@]1(CNC(=O)[C@@H]2CC[C@H](C[NH3+])O2)CCOC1 ZINC000261778333 135252914 /nfs/dbraw/zinc/25/29/14/135252914.db2.gz MTSDIXOUHQANPT-SCVCMEIPSA-N 1 0 242.319 0.036 10 0 BCAERO CSCCCNC(=O)[C@H]([NH3+])C1CCOCC1 ZINC000261786545 135252917 /nfs/dbraw/zinc/25/29/17/135252917.db2.gz NFWBCVNFSQAHKU-SNVBAGLBSA-N 1 0 246.376 0.610 10 0 BCAERO C[C@@H]1OCCN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])[C@H]1C ZINC000261797701 135253618 /nfs/dbraw/zinc/25/36/18/135253618.db2.gz MKUJGEZIWHFSLP-NNYUYHANSA-N 1 0 240.347 0.997 10 0 BCAERO C[C@H]([NH3+])CC(=O)NCc1cn2c(n1)CCCC2 ZINC000261814295 135255696 /nfs/dbraw/zinc/25/56/96/135255696.db2.gz MBRZJSFWCQTQHT-VIFPVBQESA-N 1 0 236.319 0.573 10 0 BCAERO [NH3+][C@@H](C(=O)NCC1CCC1)C1CCOCC1 ZINC000261854944 135257695 /nfs/dbraw/zinc/25/76/95/135257695.db2.gz RUNWMKQHGUXGQV-LLVKDONJSA-N 1 0 226.320 0.657 10 0 BCAERO C[C@@H]([NH3+])CC(=O)Nc1cnc(N(C)C)nc1 ZINC000261861506 135258416 /nfs/dbraw/zinc/25/84/16/135258416.db2.gz OVSIKUGMJACVTK-SSDOTTSWSA-N 1 0 223.280 0.218 10 0 BCAERO NC(=[NH2+])NC[C@H](O)c1cccc(OC(F)F)c1 ZINC000261904436 135261937 /nfs/dbraw/zinc/26/19/37/135261937.db2.gz WQUQDSSNCPIICO-QMMMGPOBSA-N 1 0 245.229 0.804 10 0 BCAERO CC(C)(C)CNC(=O)[C@@H]([NH3+])C1CCOCC1 ZINC000261920281 135263620 /nfs/dbraw/zinc/26/36/20/135263620.db2.gz YPHODJMDTZRFRM-JTQLQIEISA-N 1 0 228.336 0.903 10 0 BCAERO COC(=O)c1coc(CN2C[C@H]([NH3+])[C@@H](C)C2)c1 ZINC000261948437 135265531 /nfs/dbraw/zinc/26/55/31/135265531.db2.gz FQEXINPVPPAKEE-KWQFWETISA-N 1 0 238.287 0.845 10 0 BCAERO Cc1ncncc1C(=O)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261952644 135266478 /nfs/dbraw/zinc/26/64/78/135266478.db2.gz ZIEDJXSMYMXNBX-LLVKDONJSA-N 1 0 248.330 0.984 10 0 BCAERO CCn1c(C)nnc1CN1CCCC[C@H]1C[NH3+] ZINC000261965768 135267346 /nfs/dbraw/zinc/26/73/46/135267346.db2.gz BCAYRTHTRHQBCA-NSHDSACASA-N 1 0 237.351 0.920 10 0 BCAERO CCn1c(C)nnc1CN1CCC[C@H]1C[NH2+]C ZINC000261980750 135268614 /nfs/dbraw/zinc/26/86/14/135268614.db2.gz HWWVBCNGDYLFDQ-NSHDSACASA-N 1 0 237.351 0.790 10 0 BCAERO COC(=O)c1cc(CN2C[C@H]([NH3+])[C@@H](C)C2)c[nH]1 ZINC000261975232 135268657 /nfs/dbraw/zinc/26/86/57/135268657.db2.gz IQPFNSQAVNQEBG-WPRPVWTQSA-N 1 0 237.303 0.580 10 0 BCAERO C[C@H]1CN(Cc2cnc(N(C)C)nc2)C[C@@H]1[NH3+] ZINC000261977817 135268819 /nfs/dbraw/zinc/26/88/19/135268819.db2.gz IWKIGKGWELUGGG-ONGXEEELSA-N 1 0 235.335 0.322 10 0 BCAERO COC(=O)c1cc(CN2C[C@H](C)[C@H]([NH3+])C2)c[nH]1 ZINC000261975229 135268848 /nfs/dbraw/zinc/26/88/48/135268848.db2.gz IQPFNSQAVNQEBG-WCBMZHEXSA-N 1 0 237.303 0.580 10 0 BCAERO O=c1cc2c(n[nH]1)CCN(C[C@@H]1CCC[NH2+]C1)C2 ZINC000262021904 135272988 /nfs/dbraw/zinc/27/29/88/135272988.db2.gz WENGNVGODQHKNJ-SNVBAGLBSA-N 1 0 248.330 0.128 10 0 BCAERO O=c1cc2c(n[nH]1)CCN(C[C@H]1CCC[NH2+]C1)C2 ZINC000262021901 135273465 /nfs/dbraw/zinc/27/34/65/135273465.db2.gz WENGNVGODQHKNJ-JTQLQIEISA-N 1 0 248.330 0.128 10 0 BCAERO CN(CC(F)F)C(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000262083961 135278055 /nfs/dbraw/zinc/27/80/55/135278055.db2.gz FSIVAHIVZQTXDW-NTSWFWBYSA-N 1 0 210.199 0.410 10 0 BCAERO CC1(C)C[C@H]1CNC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000262089431 135278701 /nfs/dbraw/zinc/27/87/01/135278701.db2.gz GQVZVYLOSLNZOL-XHNCKOQMSA-N 1 0 214.284 0.849 10 0 BCAERO Cc1ccc(C(=O)NC[C@H]2C[NH2+]C[C@H]2O)s1 ZINC000262112748 135279300 /nfs/dbraw/zinc/27/93/00/135279300.db2.gz FKVYZSISVKOLMM-RKDXNWHRSA-N 1 0 240.328 0.367 10 0 BCAERO CN(C)c1ccccc1CNC[C@@H]1C[NH2+]C[C@H]1O ZINC000262113495 135279938 /nfs/dbraw/zinc/27/99/38/135279938.db2.gz KUOWPKMVNUYTBB-TZMCWYRMSA-N 1 0 249.358 0.423 10 0 BCAERO COC(=O)C(C)(C)CCN1C[C@H](C)[C@H]([NH3+])C1 ZINC000262133105 135280567 /nfs/dbraw/zinc/28/05/67/135280567.db2.gz YIHVKWVEBQZSDI-VHSXEESVSA-N 1 0 228.336 0.855 10 0 BCAERO Cc1cc(CNC[C@H]2C[NH2+]C[C@@H]2O)ccc1F ZINC000262143604 135281494 /nfs/dbraw/zinc/28/14/94/135281494.db2.gz PYZLNLAJWQRINO-AAEUAGOBSA-N 1 0 238.306 0.804 10 0 BCAERO C[C@@H](N[C@@H]1CC[NH2+]C1)C(=O)NCc1ccccc1 ZINC000262138979 135281514 /nfs/dbraw/zinc/28/15/14/135281514.db2.gz ONSLRRBVVXOLHE-DGCLKSJQSA-N 1 0 247.342 0.643 10 0 BCAERO O=C(NCC1CCCC1)[C@H]1C[C@H](F)C[NH2+]1 ZINC000262155181 135282235 /nfs/dbraw/zinc/28/22/35/135282235.db2.gz RTEPUSKUFYEMJF-VHSXEESVSA-N 1 0 214.284 0.993 10 0 BCAERO CC(C)(CO)CCCNC(=O)[C@H]1CCC[NH2+]1 ZINC000262151502 135282444 /nfs/dbraw/zinc/28/24/44/135282444.db2.gz RSJUPJWBTVICGQ-SNVBAGLBSA-N 1 0 228.336 0.653 10 0 BCAERO COC[C@H]([NH3+])C(=O)N1CC[C@H](CC(C)C)C1 ZINC000262162957 135282767 /nfs/dbraw/zinc/28/27/67/135282767.db2.gz ACUZWCPACQDKRQ-MNOVXSKESA-N 1 0 228.336 0.855 10 0 BCAERO Cc1ccccc1[C@H](O)CNC(=O)C1C[NH2+]C1 ZINC000262175263 135283788 /nfs/dbraw/zinc/28/37/88/135283788.db2.gz CZTPSMFLSNHUAV-GFCCVEGCSA-N 1 0 234.299 0.364 10 0 BCAERO CCc1noc(CC)c1CNC(=O)C1C[NH2+]C1 ZINC000262215664 135285354 /nfs/dbraw/zinc/28/53/54/135285354.db2.gz JQYNHFLBDJIVJX-UHFFFAOYSA-N 1 0 237.303 0.635 10 0 BCAERO Cc1ccc(C(=O)NC[C@H]2C[NH2+]C[C@@H]2O)cc1C ZINC000262227490 135285869 /nfs/dbraw/zinc/28/58/69/135285869.db2.gz JZXRMGASZDLWMX-OLZOCXBDSA-N 1 0 248.326 0.614 10 0 BCAERO CO[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)C1C[NH2+]C1 ZINC000262241992 135287282 /nfs/dbraw/zinc/28/72/82/135287282.db2.gz ROOBSXXKMPMRIB-MVWJERBFSA-N 1 0 240.347 0.916 10 0 BCAERO CCc1ccc(C(=O)NC[C@H]2C[NH2+]C[C@@H]2O)cc1 ZINC000262264850 135289275 /nfs/dbraw/zinc/28/92/75/135289275.db2.gz MMJWEUQXAFLFJM-OLZOCXBDSA-N 1 0 248.326 0.559 10 0 BCAERO c1cc2nccc(CNC3=[NH+]CCCN3)n2n1 ZINC000262289439 135290280 /nfs/dbraw/zinc/29/02/80/135290280.db2.gz GNMJGGNSDFHNDF-UHFFFAOYSA-N 1 0 230.275 0.168 10 0 BCAERO COC[C@H]([NH3+])C(=O)N1CCc2cc(C)ccc21 ZINC000262284275 135290712 /nfs/dbraw/zinc/29/07/12/135290712.db2.gz MCCYPRFUVQEFPV-NSHDSACASA-N 1 0 234.299 0.858 10 0 BCAERO COC[C@H]([NH3+])C(=O)N[C@H]1C[C@H]1Cc1ccccc1 ZINC000262302589 135291748 /nfs/dbraw/zinc/29/17/48/135291748.db2.gz OBJCYESEEVBEJE-AGIUHOORSA-N 1 0 248.326 0.708 10 0 BCAERO CC(C)(C)SCC(=O)NC[C@H]1C[NH2+]C[C@H]1O ZINC000262339008 135294060 /nfs/dbraw/zinc/29/40/60/135294060.db2.gz SXSADSOBJOSUTM-RKDXNWHRSA-N 1 0 246.376 0.215 10 0 BCAERO O=C(NC[C@H]1C[NH2+]C[C@H]1O)c1ccc(F)cc1 ZINC000262334672 135294080 /nfs/dbraw/zinc/29/40/80/135294080.db2.gz SNQLGELWPVRTTE-MWLCHTKSSA-N 1 0 238.262 0.136 10 0 BCAERO COC[C@H]([NH3+])C(=O)NC[C@H]1CCc2ccccc21 ZINC000262349160 135294488 /nfs/dbraw/zinc/29/44/88/135294488.db2.gz UGZPJDPOHJEPKD-YPMHNXCESA-N 1 0 248.326 0.806 10 0 BCAERO C[NH2+]CCC(=O)NC[C@@H]1CCO[C@@H]1C(C)C ZINC000262354156 135294905 /nfs/dbraw/zinc/29/49/05/135294905.db2.gz JLPHWZUWLRKKTR-CMPLNLGQSA-N 1 0 228.336 0.773 10 0 BCAERO Cc1ccc(C(=O)NC[C@@H]2C[NH2+]C[C@H]2O)cc1 ZINC000262412055 135295420 /nfs/dbraw/zinc/29/54/20/135295420.db2.gz ZJCLDPJETMXLAN-NWDGAFQWSA-N 1 0 234.299 0.305 10 0 BCAERO Cc1cc(C)cc(C(=O)NC[C@H]2C[NH2+]C[C@H]2O)c1 ZINC000262419686 135296205 /nfs/dbraw/zinc/29/62/05/135296205.db2.gz ZZRSMNDYSSUASP-CHWSQXEVSA-N 1 0 248.326 0.614 10 0 BCAERO C[C@@H](CO)[C@H](C)NC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000262384517 135298996 /nfs/dbraw/zinc/29/89/96/135298996.db2.gz LYCWTILHAMOMKB-NAKRPEOUSA-N 1 0 228.336 0.508 10 0 BCAERO CC1(C)C(C(=O)NC[C@H]2C[NH2+]C[C@@H]2O)C1(C)C ZINC000262398992 135299844 /nfs/dbraw/zinc/29/98/44/135299844.db2.gz YLDYNEQKFLQGMX-BDAKNGLRSA-N 1 0 240.347 0.365 10 0 BCAERO COC[C@H]([NH3+])C(=O)N1Cc2ccccc2C[C@@H]1C ZINC000262488622 135302388 /nfs/dbraw/zinc/30/23/88/135302388.db2.gz HIYVNRBIYLXMGT-GWCFXTLKSA-N 1 0 248.326 0.934 10 0 BCAERO COC[C@H]([NH3+])C(=O)N1Cc2ccccc2C[C@H]1C ZINC000262488628 135302621 /nfs/dbraw/zinc/30/26/21/135302621.db2.gz HIYVNRBIYLXMGT-MFKMUULPSA-N 1 0 248.326 0.934 10 0 BCAERO CC[C@@H]1CN(C(=O)[C@@H]([NH3+])CCSC)C[C@@H]1O ZINC000262603116 135308141 /nfs/dbraw/zinc/30/81/41/135308141.db2.gz ZFVDIAVBWTXSTL-UTLUCORTSA-N 1 0 246.376 0.296 10 0 BCAERO CC(C)OC[C@@H](O)C[N@H+](C)CC1CC(O)C1 ZINC000084452665 135308367 /nfs/dbraw/zinc/30/83/67/135308367.db2.gz HHVRJBSCQIEYFE-MCIGGMRASA-N 1 0 231.336 0.475 10 0 BCAERO C[C@@H](Nc1nccn2cnnc12)[C@@H]1CCC[NH2+]C1 ZINC000079471123 135322776 /nfs/dbraw/zinc/32/27/76/135322776.db2.gz FOLVALADMVNSKM-NXEZZACHSA-N 1 0 246.318 0.924 10 0 BCAERO Oc1cccc(CNC[C@@H]2C[NH2+]C[C@@H]2O)c1 ZINC000263174469 135336965 /nfs/dbraw/zinc/33/69/65/135336965.db2.gz GARWVZBPYGMWOH-PWSUYJOCSA-N 1 0 222.288 0.062 10 0 BCAERO CCOCCc1nc([C@@H]2C[NH2+]CCN2C)no1 ZINC000263171268 135337226 /nfs/dbraw/zinc/33/72/26/135337226.db2.gz FSLNJTJOGFKHSH-VIFPVBQESA-N 1 0 240.307 0.225 10 0 BCAERO CC(C)n1nccc1CNC[C@@H]1C[NH2+]C[C@@H]1O ZINC000263168217 135337433 /nfs/dbraw/zinc/33/74/33/135337433.db2.gz FKSFTOGILZWBRO-PWSUYJOCSA-N 1 0 238.335 0.134 10 0 BCAERO CC[C@H](OC)c1nc([C@@H]2C[NH2+]CCN2C)no1 ZINC000263219400 135340446 /nfs/dbraw/zinc/34/04/46/135340446.db2.gz LOPYLSPKIXLVQW-IUCAKERBSA-N 1 0 240.307 0.743 10 0 BCAERO CN1CC[NH2+]C[C@H]1c1noc([C@@H]2CCCO2)n1 ZINC000263231557 135340879 /nfs/dbraw/zinc/34/08/79/135340879.db2.gz NLJDUHHTDRRKTD-IUCAKERBSA-N 1 0 238.291 0.497 10 0 BCAERO Cc1ccc(F)c(CNC[C@@H]2C[NH2+]C[C@@H]2O)c1 ZINC000263230656 135341033 /nfs/dbraw/zinc/34/10/33/135341033.db2.gz NIALJYMRLHUUAO-YPMHNXCESA-N 1 0 238.306 0.804 10 0 BCAERO CCC1(CC)[C@@H](NC(=O)C2C[NH2+]C2)C[C@@H]1OC ZINC000263262558 135343596 /nfs/dbraw/zinc/34/35/96/135343596.db2.gz GSRFLLNMPMXOPI-QWRGUYRKSA-N 1 0 240.347 0.916 10 0 BCAERO CC(C)n1cc(CNC[C@@H]2C[NH2+]C[C@H]2O)cn1 ZINC000263312597 135345978 /nfs/dbraw/zinc/34/59/78/135345978.db2.gz YZHBQUIHZPGWES-VXGBXAGGSA-N 1 0 238.335 0.134 10 0 BCAERO O=C(NC[C@H](O)c1ccc(F)cc1)C1C[NH2+]C1 ZINC000263325014 135346626 /nfs/dbraw/zinc/34/66/26/135346626.db2.gz SOBZOWOHAHNISN-NSHDSACASA-N 1 0 238.262 0.195 10 0 BCAERO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C1C[NH2+]C1 ZINC000263331710 135347114 /nfs/dbraw/zinc/34/71/14/135347114.db2.gz VCGGZYHMPFKREF-GFCCVEGCSA-N 1 0 239.363 0.587 10 0 BCAERO Cc1c(CN2CCC[C@H]3C[NH2+]C[C@H]32)cnn1C ZINC000299915595 135382539 /nfs/dbraw/zinc/38/25/39/135382539.db2.gz GLXDRAIAAHHNHH-WCQYABFASA-N 1 0 234.347 0.912 10 0 BCAERO CC(C)(C)NC(=O)CNC(=O)[C@H]1CCC[C@H]1[NH3+] ZINC000085358390 135482829 /nfs/dbraw/zinc/48/28/29/135482829.db2.gz GXNLMRLBTKNPGJ-DTWKUNHWSA-N 1 0 241.335 0.145 10 0 BCAERO COCCOCCCNC(=O)[C@H]1CCC[C@@H]1[NH3+] ZINC000085371057 135482879 /nfs/dbraw/zinc/48/28/79/135482879.db2.gz CAFWXVIPSLENNF-QWRGUYRKSA-N 1 0 244.335 0.283 10 0 BCAERO O=C(NC[C@H]1CCCC[C@@H]1O)[C@@H]1CCC[NH2+]C1 ZINC000085985878 135489795 /nfs/dbraw/zinc/48/97/95/135489795.db2.gz SUZZQWMJOGGSSC-UTUOFQBUSA-N 1 0 240.347 0.653 10 0 BCAERO C[C@@H]1C[NH2+]CCN1C(=O)NC1CCCC1 ZINC000087313826 135504766 /nfs/dbraw/zinc/50/47/66/135504766.db2.gz RGPYGTFFFFAGOI-SECBINFHSA-N 1 0 211.309 0.932 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)c1ncccc1O ZINC000089091362 135529020 /nfs/dbraw/zinc/52/90/20/135529020.db2.gz FFQPQPBFARCKES-IUCAKERBSA-N 1 0 235.287 0.644 10 0 BCAERO O=C(C[C@H]1CC[NH2+]C1)NC[C@H](O)C(F)(F)F ZINC000230946990 135571784 /nfs/dbraw/zinc/57/17/84/135571784.db2.gz LZBNTONBSOOQRS-RQJHMYQMSA-N 1 0 240.225 0.025 10 0 BCAERO COCCOCCC(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000193554620 135599576 /nfs/dbraw/zinc/59/95/76/135599576.db2.gz XBWTWQQCNFNZNZ-QWRGUYRKSA-N 1 0 244.335 0.296 10 0 BCAERO [NH3+]C[C@@H]1CN(Cc2cncc(F)c2)CCO1 ZINC000231440370 135606159 /nfs/dbraw/zinc/60/61/59/135606159.db2.gz VTBXFLFADXYFOC-LLVKDONJSA-N 1 0 225.267 0.380 10 0 BCAERO CCCNS(=O)(=O)N1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000233091880 135681951 /nfs/dbraw/zinc/68/19/51/135681951.db2.gz MCQJGGJGKYORHM-NXEZZACHSA-N 1 0 249.380 0.290 10 0 BCAERO C[NH+](C)[C@H]1CC[C@H](NS(=O)(=O)C2(C)CC2)C1 ZINC000334818422 135832151 /nfs/dbraw/zinc/83/21/51/135832151.db2.gz LPENSUVFCQIMIB-UWVGGRQHSA-N 1 0 246.376 0.941 10 0 BCAERO C[C@@H]1CN(S(=O)(=O)CCC2(C)CC2)C[C@@H]1[NH3+] ZINC000334978965 135856389 /nfs/dbraw/zinc/85/63/89/135856389.db2.gz AMIMENJRUCCAMF-ZJUUUORDSA-N 1 0 246.376 0.785 10 0 BCAERO CCN(C)CC[NH2+][C@H](C)C[C@@H]1COCCN1 ZINC000166119193 136075534 /nfs/dbraw/zinc/07/55/34/136075534.db2.gz VYYRMYUFFUCYNY-VXGBXAGGSA-N 1 0 229.368 0.295 10 0 BCAERO C[C@H]1[NH2+]CCC[C@H]1NC(=O)NCC1CC1 ZINC000335594836 136104467 /nfs/dbraw/zinc/10/44/67/136104467.db2.gz BPOIMAFRMKBGED-PSASIEDQSA-N 1 0 211.309 0.836 10 0 BCAERO CC(C)CN(C(=O)[C@@H]1C[C@H](O)C[NH2+]1)C(C)C ZINC000037810181 166926399 /nfs/dbraw/zinc/92/63/99/166926399.db2.gz UJZJSIXURCZEQC-QWRGUYRKSA-N 1 0 228.336 0.602 10 0 BCAERO COCCCN(C)C(=O)C[C@H]1CCC[NH2+]C1 ZINC000062033633 322859422 /nfs/dbraw/zinc/85/94/22/322859422.db2.gz UEEPQKHZSIYXBD-LLVKDONJSA-N 1 0 228.336 0.871 10 0 BCAERO C[NH2+][C@H](C)CNC(=O)[C@@H](C)OCC1CC1 ZINC000381536686 397740514 /nfs/dbraw/zinc/74/05/14/397740514.db2.gz FWBAWWBSRKQBGH-RKDXNWHRSA-N 1 0 214.309 0.526 10 0 BCAERO Cn1cc(NC(=O)N2CC[C@@H]([NH+](C)C)C2)cn1 ZINC000171072760 397826740 /nfs/dbraw/zinc/82/67/40/397826740.db2.gz AYKDIEAMQWJMEE-SNVBAGLBSA-N 1 0 237.307 0.588 10 0 BCAERO C[C@@H]1SCC[C@@H]1[NH2+][C@H]1CCNC1=O ZINC000575463733 397946576 /nfs/dbraw/zinc/94/65/76/397946576.db2.gz UJDGUOBYBLSKFT-FXQIFTODSA-N 1 0 200.307 0.359 10 0 BCAERO O[C@H](c1ccsn1)[C@@H]1CSCC[NH2+]1 ZINC000575470545 397955241 /nfs/dbraw/zinc/95/52/41/397955241.db2.gz CZJLNXKTLQFQCV-JGVFFNPUSA-N 1 0 216.331 0.882 10 0 BCAERO O=C(N[C@H]1CCC[C@@H](O)C1)[C@@H]1CCC[NH2+]1 ZINC000037000934 397959664 /nfs/dbraw/zinc/95/96/64/397959664.db2.gz FUCGFLITDNYGND-AEJSXWLSSA-N 1 0 212.293 0.158 10 0 BCAERO Cc1noc2ncnc(N(C)[C@@H](C)C[NH3+])c12 ZINC000382982336 397994158 /nfs/dbraw/zinc/99/41/58/397994158.db2.gz WVQVTYSTNZZEAY-LURJTMIESA-N 1 0 221.264 0.710 10 0 BCAERO C[C@@H]([NH3+])[C@H]1CCN(C(=O)[C@H]2CCCO2)C1 ZINC000166398344 398002612 /nfs/dbraw/zinc/00/26/12/398002612.db2.gz KYCCFNASJDAROD-KXUCPTDWSA-N 1 0 212.293 0.361 10 0 BCAERO CC1(C[NH2+][C@@H]2CCSC2)OCCO1 ZINC000307180880 398011342 /nfs/dbraw/zinc/01/13/42/398011342.db2.gz LYCVIFAUEQVJIV-MRVPVSSYSA-N 1 0 203.307 0.845 10 0 BCAERO C[NH2+][C@H](C)C(=O)Nc1ccc2oc(=O)[nH]c2c1 ZINC000054074084 398025143 /nfs/dbraw/zinc/02/51/43/398025143.db2.gz SNMGLLCDURKPCR-ZCFIWIBFSA-N 1 0 235.243 0.668 10 0 BCAERO C[NH2+][C@H](C)C(=O)Nc1ccc(CC(N)=O)cc1 ZINC000054073994 398025392 /nfs/dbraw/zinc/02/53/92/398025392.db2.gz XEZDKCGZBCOAIB-MRVPVSSYSA-N 1 0 235.287 0.261 10 0 BCAERO C[NH2+][C@H](C)C(=O)Nc1ccc(N(C)C)nc1 ZINC000054073468 398025516 /nfs/dbraw/zinc/02/55/16/398025516.db2.gz IVRSKTAKMDQTNT-MRVPVSSYSA-N 1 0 222.292 0.694 10 0 BCAERO CCc1noc(CN2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)n1 ZINC000383693698 398033916 /nfs/dbraw/zinc/03/39/16/398033916.db2.gz QYJKMVKFAZHNQM-AEJSXWLSSA-N 1 0 236.319 0.801 10 0 BCAERO CC(C)(C)OC(=O)[C@H](N)[C@@]1(F)CC[NH2+]C1 ZINC000575625760 398035276 /nfs/dbraw/zinc/03/52/76/398035276.db2.gz MGMHOVXFWRALNV-OIBJUYFYSA-N 1 0 218.272 0.357 10 0 BCAERO C[C@@H]1CCN(C(=O)[C@@H]2C[NH2+]CCOC2)C1 ZINC000643657377 398038096 /nfs/dbraw/zinc/03/80/96/398038096.db2.gz LHBLRDGFCNTROP-NXEZZACHSA-N 1 0 212.293 0.091 10 0 BCAERO C[C@]1(C(=O)NCC[C@@H]2CCCO2)C[NH2+]CCO1 ZINC000637901916 398038926 /nfs/dbraw/zinc/03/89/26/398038926.db2.gz JCCGRKAGCBSXEA-CMPLNLGQSA-N 1 0 242.319 0.050 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N(C)C[C@@H]1CCOC1 ZINC000398832455 398063186 /nfs/dbraw/zinc/06/31/86/398063186.db2.gz FQQRDOXVJJVAQL-OUAUKWLOSA-N 1 0 226.320 0.337 10 0 BCAERO C[C@H]1CC[C@H](NC(=O)[C@H]2C[NH2+]CCOC2)CC1 ZINC000643688138 398063973 /nfs/dbraw/zinc/06/39/73/398063973.db2.gz NEMIUBWDWKBGSM-SRVKXCTJSA-N 1 0 240.347 0.917 10 0 BCAERO COCC[C@H](CO)[NH2+]Cc1cnn(C)c1C ZINC000282252808 398066685 /nfs/dbraw/zinc/06/66/85/398066685.db2.gz ORWBNZFLNNMTRF-LLVKDONJSA-N 1 0 227.308 0.216 10 0 BCAERO O[C@@H](CNCc1ccon1)C[NH+]1CCCCC1 ZINC000383745984 398068485 /nfs/dbraw/zinc/06/84/85/398068485.db2.gz JBOHBYSZJBUBBJ-LBPRGKRZSA-N 1 0 239.319 0.611 10 0 BCAERO [NH3+]CC1(CCNc2ccc3nncn3n2)CC1 ZINC000650301481 398079413 /nfs/dbraw/zinc/07/94/13/398079413.db2.gz SOMCSLJSHPXBQR-UHFFFAOYSA-N 1 0 232.291 0.087 10 0 BCAERO C[NH2+][C@@H](C)CNC(=O)Cc1ccncc1 ZINC000389392393 398080605 /nfs/dbraw/zinc/08/06/05/398080605.db2.gz XAONXVMWIMMGGQ-VIFPVBQESA-N 1 0 207.277 0.348 10 0 BCAERO Cn1ccnc(NCCC2CC[NH2+]CC2)c1=O ZINC000650311797 398096517 /nfs/dbraw/zinc/09/65/17/398096517.db2.gz BAAHPSUHMZQJGL-UHFFFAOYSA-N 1 0 236.319 0.582 10 0 BCAERO Cn1cc([C@H]2CC[N@H+](CC(=O)NC3CC3)C2)cn1 ZINC000116321910 398090089 /nfs/dbraw/zinc/09/00/89/398090089.db2.gz FNPOXOHSNOCNIU-JTQLQIEISA-N 1 0 248.330 0.488 10 0 BCAERO C[NH+](C)C[C@H]1CN(C(=O)C2CCC2)CCO1 ZINC000116796498 398091083 /nfs/dbraw/zinc/09/10/83/398091083.db2.gz OBIRHXXTEAUMCA-NSHDSACASA-N 1 0 226.320 0.576 10 0 BCAERO [NH3+][C@@H](Cc1csnn1)c1csnn1 ZINC000307357569 398109647 /nfs/dbraw/zinc/10/96/47/398109647.db2.gz CVAZLIWZJQTYBP-YFKPBYRVSA-N 1 0 213.291 0.632 10 0 BCAERO CS(=O)(=O)C[C@@H]1CCC2(CC2)C[NH2+]1 ZINC000575505196 398125637 /nfs/dbraw/zinc/12/56/37/398125637.db2.gz VKOPGSFDIGOOBE-QMMMGPOBSA-N 1 0 203.307 0.563 10 0 BCAERO CC(C)C[NH2+]Cc1nnc2cnccn21 ZINC000062743457 167009489 /nfs/dbraw/zinc/00/94/89/167009489.db2.gz JSTVCZGMEIBJKH-UHFFFAOYSA-N 1 0 205.265 0.870 10 0 BCAERO CNC(=O)C[NH2+]C[C@@]1(O)CCC[C@H](C)C1 ZINC000083469536 173277092 /nfs/dbraw/zinc/27/70/92/173277092.db2.gz TXUOIWGPNKKLFL-GXSJLCMTSA-N 1 0 214.309 0.263 10 0 BCAERO CC(C)NC(=O)CN[C@@H](C)[C@@H]1CCC[N@H+](C)C1 ZINC000036781495 167058944 /nfs/dbraw/zinc/05/89/44/167058944.db2.gz BJJFANGMLXAJSD-NWDGAFQWSA-N 1 0 241.379 0.831 10 0 BCAERO CC(C)[NH2+]CC(=O)N1CCOC[C@@H]1C ZINC000037477158 167098373 /nfs/dbraw/zinc/09/83/73/167098373.db2.gz OUBGDNPDUMSITI-VIFPVBQESA-N 1 0 200.282 0.232 10 0 BCAERO COCC[NH2+]CCNc1ncncc1Cl ZINC000163699339 174332975 /nfs/dbraw/zinc/33/29/75/174332975.db2.gz DOQZNFBLYWCTBY-UHFFFAOYSA-N 1 0 230.699 0.778 10 0 BCAERO COCCCNC(=O)N[C@H]1CCCC[NH2+]C1 ZINC000258657920 322875431 /nfs/dbraw/zinc/87/54/31/322875431.db2.gz SJYBLHMOMBZRBJ-JTQLQIEISA-N 1 0 229.324 0.464 10 0 BCAERO C[C@H](C1CC1)N(C)C(=O)C1([NH3+])CCOCC1 ZINC000149658007 487561334 /nfs/dbraw/zinc/56/13/34/487561334.db2.gz CFVMPZSIYHHKDN-SECBINFHSA-N 1 0 226.320 0.751 10 0 BCAERO [NH3+][C@@H]1CC[C@H](C(=O)N[C@@H]2CCC[C@@H](O)C2)C1 ZINC000227868636 487561433 /nfs/dbraw/zinc/56/14/33/487561433.db2.gz XZSSPLONJHYXOS-LNFKQOIKSA-N 1 0 226.320 0.534 10 0 BCAERO CCCCOC[C@@H](O)C[NH2+]C[C@H](C)OC ZINC000227897567 487562701 /nfs/dbraw/zinc/56/27/01/487562701.db2.gz CQODSPAAOFUAAE-QWRGUYRKSA-N 1 0 219.325 0.789 10 0 BCAERO CCCCOC[C@H](O)C[NH2+]CC[C@H](C)O ZINC000227893420 487562783 /nfs/dbraw/zinc/56/27/83/487562783.db2.gz BDGLLJNDHRVGHS-WDEREUQCSA-N 1 0 219.325 0.525 10 0 BCAERO CCCCOC[C@@H](O)C[NH2+][C@H](C)CCO ZINC000227895640 487562805 /nfs/dbraw/zinc/56/28/05/487562805.db2.gz LZJSAGCXSPPTEG-MNOVXSKESA-N 1 0 219.325 0.525 10 0 BCAERO CN(C[C@@H](O)C[NH2+]C[C@@H](O)C(C)(C)C)C1CC1 ZINC000324238153 487562397 /nfs/dbraw/zinc/56/23/97/487562397.db2.gz AKLREDSGRMPJAL-NWDGAFQWSA-N 1 0 244.379 0.438 10 0 BCAERO O=S1(=O)CC[C@H]([NH2+][C@H]2CO[C@@H](C3CC3)C2)C1 ZINC000667470244 487564763 /nfs/dbraw/zinc/56/47/63/487564763.db2.gz SMDGXWPCMDDOLB-HBNTYKKESA-N 1 0 245.344 0.331 10 0 BCAERO CCCCOC[C@@H](O)Cn1cc(C[NH2+]C)nn1 ZINC000227913611 487566153 /nfs/dbraw/zinc/56/61/53/487566153.db2.gz YDUXTHGAEDGLML-NSHDSACASA-N 1 0 242.323 0.175 10 0 BCAERO CC(C)OCC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000122260320 167180845 /nfs/dbraw/zinc/18/08/45/167180845.db2.gz GMMKDMXDBFEXMJ-SNVBAGLBSA-N 1 0 214.309 0.574 10 0 BCAERO [NH3+]C1(CC(=O)NC[C@H]2CCC[C@@H]2O)CCC1 ZINC000086853746 487570690 /nfs/dbraw/zinc/57/06/90/487570690.db2.gz QMQITZSBVNWUIP-ZJUUUORDSA-N 1 0 226.320 0.535 10 0 BCAERO Cn1cnc(-c2nc([C@@H]3CCC[NH2+]3)no2)c1 ZINC000225425641 487572839 /nfs/dbraw/zinc/57/28/39/487572839.db2.gz LVSJUHJZAUMUOW-ZETCQYMHSA-N 1 0 219.248 0.895 10 0 BCAERO C[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@H](O)C(C)(C)C ZINC000324321296 487573836 /nfs/dbraw/zinc/57/38/36/487573836.db2.gz HTTYLGMPSMWYMT-AEJSXWLSSA-N 1 0 228.336 0.508 10 0 BCAERO CC(C)OCCC[N@@H+]1CCC[C@@](O)(C(N)=O)C1 ZINC000375495727 167213363 /nfs/dbraw/zinc/21/33/63/167213363.db2.gz AOISEKFHNJCJJH-LBPRGKRZSA-N 1 0 244.335 0.114 10 0 BCAERO CC(C)OCCCN1C[C@@H](C[NH3+])OC1=O ZINC000019669004 167214968 /nfs/dbraw/zinc/21/49/68/167214968.db2.gz JYTULKQKFKNTBM-SECBINFHSA-N 1 0 216.281 0.581 10 0 BCAERO CC(C)(C)[C@@H](O)CNC(=O)CC1([NH3+])CCC1 ZINC000324343795 487578554 /nfs/dbraw/zinc/57/85/54/487578554.db2.gz NGEDLAQBFGMDBG-VIFPVBQESA-N 1 0 228.336 0.781 10 0 BCAERO CC(C)OCCCNC(=O)C[N@H+](C)C[C@H](C)O ZINC000051821411 167217741 /nfs/dbraw/zinc/21/77/41/167217741.db2.gz NWODANXZDKRWAV-NSHDSACASA-N 1 0 246.351 0.230 10 0 BCAERO C[C@]1(O)CC[N@H+](C[C@@H]2CCC[C@@H](O)C2)C1 ZINC000308917837 487581726 /nfs/dbraw/zinc/58/17/26/487581726.db2.gz ODSXKPCLFSZQEH-UTUOFQBUSA-N 1 0 213.321 0.994 10 0 BCAERO C[C@]1(O)CC[N@H+](C[C@@H]2CCC[C@H](O)C2)C1 ZINC000308917838 487581737 /nfs/dbraw/zinc/58/17/37/487581737.db2.gz ODSXKPCLFSZQEH-WOPDTQHZSA-N 1 0 213.321 0.994 10 0 BCAERO CC(C)OCCN1CC[N@@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000105822737 167233590 /nfs/dbraw/zinc/23/35/90/167233590.db2.gz XCMKHYHOPYUBBE-QWHCGFSZSA-N 1 0 244.379 0.798 10 0 BCAERO O[C@]1(C[NH+]2CC(n3cccn3)C2)CCCOC1 ZINC000585570390 487586777 /nfs/dbraw/zinc/58/67/77/487586777.db2.gz KZROOEBFIMXPAY-LBPRGKRZSA-N 1 0 237.303 0.281 10 0 BCAERO C[C@H]1OCC[C@H]1[NH2+]CCn1ccccc1=O ZINC000150102740 487587220 /nfs/dbraw/zinc/58/72/20/487587220.db2.gz QTPLQHLMYKGMBS-GHMZBOCLSA-N 1 0 222.288 0.615 10 0 BCAERO Cc1n[nH]c(C)c1C[NH2+]CC1CC(O)C1 ZINC000084445967 322913231 /nfs/dbraw/zinc/91/32/31/322913231.db2.gz BEUGLICFKXBDTQ-UHFFFAOYSA-N 1 0 209.293 0.887 10 0 BCAERO CCn1cc(C[NH2+]CC2CC(O)C2)cn1 ZINC000084449231 322913513 /nfs/dbraw/zinc/91/35/13/322913513.db2.gz ZKKFBDHARMSKEC-UHFFFAOYSA-N 1 0 209.293 0.764 10 0 BCAERO COC[C@@H]([NH3+])C(=O)NC[C@@H]1Cc2ccccc21 ZINC000159696590 487591170 /nfs/dbraw/zinc/59/11/70/487591170.db2.gz RVOKPGZNGCSEDT-CMPLNLGQSA-N 1 0 234.299 0.416 10 0 BCAERO C[C@H](C[NH3+])C(=O)NC[C@H](O)C(C)(C)C ZINC000324385876 487594005 /nfs/dbraw/zinc/59/40/05/487594005.db2.gz XQNVKWMCZJBVEA-SFYZADRCSA-N 1 0 202.298 0.104 10 0 BCAERO COc1ncccc1C(=O)N1CC[C@@H]([NH3+])[C@H]1C ZINC000383266631 487595878 /nfs/dbraw/zinc/59/58/78/487595878.db2.gz ISKBSENYSXWNNH-PSASIEDQSA-N 1 0 235.287 0.652 10 0 BCAERO CC(C)S(=O)(=O)N1CC[C@H]2C[NH2+]C[C@@H]21 ZINC000077453595 167319857 /nfs/dbraw/zinc/31/98/57/167319857.db2.gz RLKJKQANIKWBKR-IUCAKERBSA-N 1 0 218.322 0.018 10 0 BCAERO C[C@@H](O)C1CCN(C(=O)CC2([NH3+])CC2)CC1 ZINC000398178403 487606895 /nfs/dbraw/zinc/60/68/95/487606895.db2.gz RORKDIYERRXFKC-SECBINFHSA-N 1 0 226.320 0.487 10 0 BCAERO C[C@H](O)C[N@H+](CCO)C[C@@H]1CCC[C@H](O)C1 ZINC000309776315 487610205 /nfs/dbraw/zinc/61/02/05/487610205.db2.gz PVKLYPUTJWMJMJ-TUAOUCFPSA-N 1 0 231.336 0.213 10 0 BCAERO CC(C)[C@@H]([NH3+])CC(=O)N(C)Cc1cn(C)nn1 ZINC000662688333 409834092 /nfs/dbraw/zinc/83/40/92/409834092.db2.gz KUHZCVUJEIGQAK-JTQLQIEISA-N 1 0 239.323 0.147 10 0 BCAERO CCOCCC(=O)N1CC[C@@H]([NH3+])[C@H]1C ZINC000308553548 409834219 /nfs/dbraw/zinc/83/42/19/409834219.db2.gz TXKKFEZLANRZFB-RKDXNWHRSA-N 1 0 200.282 0.361 10 0 BCAERO OC1CC[NH+](C[C@H]2CCC[C@@H](O)C2)CC1 ZINC000308817706 409906167 /nfs/dbraw/zinc/90/61/67/409906167.db2.gz BLCJYZPYWMXIIV-CMPLNLGQSA-N 1 0 213.321 0.994 10 0 BCAERO CC(C)(C)[C@H](O)C[NH2+]C[C@H](O)C(F)(F)F ZINC000308841378 409916534 /nfs/dbraw/zinc/91/65/34/409916534.db2.gz YYYHEGSAPDLGAW-RQJHMYQMSA-N 1 0 229.242 0.906 10 0 BCAERO CC1(C)CCCN1C(=O)[C@@H]1C[NH2+]CCOC1 ZINC000643672316 409918995 /nfs/dbraw/zinc/91/89/95/409918995.db2.gz KSIIANBOEVVAOZ-SNVBAGLBSA-N 1 0 226.320 0.623 10 0 BCAERO O=C(CC1=CCCCC1)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000653138866 409859937 /nfs/dbraw/zinc/85/99/37/409859937.db2.gz MHGUEJPDUJFXAU-RYUDHWBXSA-N 1 0 238.331 0.573 10 0 BCAERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)[C@H]1CC=CCC1 ZINC000653138776 409860056 /nfs/dbraw/zinc/86/00/56/409860056.db2.gz JRUOHKQIRGQHOZ-GARJFASQSA-N 1 0 224.304 0.039 10 0 BCAERO CCCC(CCC)C(=O)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000653138980 409860363 /nfs/dbraw/zinc/86/03/63/409860363.db2.gz PSZJJVXQHWLEDO-RYUDHWBXSA-N 1 0 242.363 0.899 10 0 BCAERO OC[C@@H]1CC[N@H+](C[C@@H]2CCC[C@H](O)C2)C1 ZINC000308947180 409966727 /nfs/dbraw/zinc/96/67/27/409966727.db2.gz WODPOURHVRNZRN-UTUOFQBUSA-N 1 0 213.321 0.852 10 0 BCAERO CO[C@H]1CCCN(C(=O)[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000662835567 409945921 /nfs/dbraw/zinc/94/59/21/409945921.db2.gz PMBWAYYUDBQVBX-GRYCIOLGSA-N 1 0 240.347 0.869 10 0 BCAERO COc1cccc(Cn2cc(C[NH3+])nn2)n1 ZINC000069637780 410010569 /nfs/dbraw/zinc/01/05/69/410010569.db2.gz CSYJVRKUDPMACM-UHFFFAOYSA-N 1 0 219.248 0.189 10 0 BCAERO C[NH2+]C[C@@H](C)Nc1ncnc2onc(C)c21 ZINC000663278574 410092946 /nfs/dbraw/zinc/09/29/46/410092946.db2.gz KCMUWOBDBZMBQT-ZCFIWIBFSA-N 1 0 221.264 0.946 10 0 BCAERO C[C@H]1SCC[C@H]1NC(=O)[C@H]1CC[NH2+]C1 ZINC000653175053 410151422 /nfs/dbraw/zinc/15/14/22/410151422.db2.gz MPRLLFAJUPNJSG-HRDYMLBCSA-N 1 0 214.334 0.606 10 0 BCAERO C[C@@H]1SCC[C@@H]1NC(=O)[C@H]1C[NH2+]CCOC1 ZINC000653176072 410152508 /nfs/dbraw/zinc/15/25/08/410152508.db2.gz JQBSGMKPWZCBRL-GUBZILKMSA-N 1 0 244.360 0.233 10 0 BCAERO O=C([C@H]1C[NH2+]CCOC1)N1CCCC(F)(F)C1 ZINC000653198354 410159766 /nfs/dbraw/zinc/15/97/66/410159766.db2.gz UNBYCVOGKRTYEK-VIFPVBQESA-N 1 0 248.273 0.480 10 0 BCAERO O=C([C@H]1C[C@H](F)C[NH2+]1)N1CCCC(F)(F)C1 ZINC000653198430 410160129 /nfs/dbraw/zinc/16/01/29/410160129.db2.gz YQSWHMGVYQOEFI-JGVFFNPUSA-N 1 0 236.237 0.944 10 0 BCAERO CCOC[C@H](O)C[NH2+]C[C@H](O)C(C)(C)C ZINC000309043078 410205846 /nfs/dbraw/zinc/20/58/46/410205846.db2.gz LBXKSCWVRCQUCM-ZJUUUORDSA-N 1 0 219.325 0.380 10 0 BCAERO C[C@@H](NC(=O)[C@@H]1C[NH2+]CCOC1)C(C)(C)C ZINC000653257319 410240338 /nfs/dbraw/zinc/24/03/38/410240338.db2.gz GLIITANLYOHFBK-NXEZZACHSA-N 1 0 228.336 0.773 10 0 BCAERO C[C@@H](CNC(=O)[C@H]1C[C@H](F)C[NH2+]1)C1CC1 ZINC000393211618 410311893 /nfs/dbraw/zinc/31/18/93/410311893.db2.gz MHWWNRCZPMSSGS-UJNFCWOMSA-N 1 0 214.284 0.849 10 0 BCAERO O=C(C[C@@H]1COCC[NH2+]1)NCC[C@@H]1CCCO1 ZINC000129052392 410368394 /nfs/dbraw/zinc/36/83/94/410368394.db2.gz IWLWVGMUBRUSBA-MNOVXSKESA-N 1 0 242.319 0.050 10 0 BCAERO CCN(CC)C(=O)CCNC(=O)CCC[NH2+]C ZINC000037752936 169746153 /nfs/dbraw/zinc/74/61/53/169746153.db2.gz AXTVDSHVKVEMJX-UHFFFAOYSA-N 1 0 243.351 0.361 10 0 BCAERO CC1(CNC(=O)[C@]2(C)CCC[NH2+]2)COC1 ZINC000087197731 487615620 /nfs/dbraw/zinc/61/56/20/487615620.db2.gz LOUFZWPXESAEOS-NSHDSACASA-N 1 0 212.293 0.281 10 0 BCAERO CC[C@]1(C(=O)N[C@H]2CCC[C@@H](O)C2)CCC[NH2+]1 ZINC000219635983 410407812 /nfs/dbraw/zinc/40/78/12/410407812.db2.gz FRTSRXRWZFOWHK-DMDPSCGWSA-N 1 0 240.347 0.938 10 0 BCAERO CCN(CC)C(=O)[C@H](C)[NH2+]C[C@H]1COCCO1 ZINC000038061855 169757995 /nfs/dbraw/zinc/75/79/95/169757995.db2.gz IZSLDKAGNHWYAS-QWRGUYRKSA-N 1 0 244.335 0.248 10 0 BCAERO CC[NH2+][C@H](C)CNc1nccnc1OCC ZINC000570552186 410591476 /nfs/dbraw/zinc/59/14/76/410591476.db2.gz BNGNTNZXBFVNAH-SECBINFHSA-N 1 0 224.308 1.285 10 0 BCAERO CC(C)(C)NC(=O)CNC(=O)CCCCC[NH3+] ZINC000035661200 166612941 /nfs/dbraw/zinc/61/29/41/166612941.db2.gz GTOBJTIFXHNNJM-UHFFFAOYSA-N 1 0 243.351 0.536 10 0 BCAERO CC(C)(C)OC(=O)N[C@@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC000091690967 166667349 /nfs/dbraw/zinc/66/73/49/166667349.db2.gz DXQODYVKRDPTKR-IWSPIJDZSA-N 1 0 228.292 0.498 10 0 BCAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)C[C@@H]1CCCO1 ZINC000393741912 410757400 /nfs/dbraw/zinc/75/74/00/410757400.db2.gz JRUQWZBEWUQATB-KXUCPTDWSA-N 1 0 212.293 0.504 10 0 BCAERO FC1(CN2CC[C@@H]3OCC[NH2+][C@@H]3C2)CC1 ZINC000393795078 410761656 /nfs/dbraw/zinc/76/16/56/410761656.db2.gz OMHFXVMFJGPRPG-ZJUUUORDSA-N 1 0 214.284 0.551 10 0 BCAERO CC(C)CCN(C(=O)[C@H]1C[C@H](O)C[NH2+]1)C1CC1 ZINC000037807038 166830864 /nfs/dbraw/zinc/83/08/64/166830864.db2.gz WRHDXANGWLGITR-NWDGAFQWSA-N 1 0 240.347 0.746 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)NCC1(COC)CC1 ZINC000655490916 410810352 /nfs/dbraw/zinc/81/03/52/410810352.db2.gz WKKDRHKNBGVOPW-SECBINFHSA-N 1 0 214.309 0.657 10 0 BCAERO COCC1(CNC(=O)[C@H]2C[C@H](F)C[NH2+]2)CC1 ZINC000655490918 410810471 /nfs/dbraw/zinc/81/04/71/410810471.db2.gz WOBUPXXABWUXDW-DTWKUNHWSA-N 1 0 230.283 0.229 10 0 BCAERO C[C@@H]1CC[N@H+](C[C@H]2CCCN2C)[C@@H]1CO ZINC000395313768 410844204 /nfs/dbraw/zinc/84/42/04/410844204.db2.gz BVIZQOOFNBUZOG-IJLUTSLNSA-N 1 0 212.337 0.783 10 0 BCAERO Cc1cc(NCCC2(C[NH3+])CC2)n2ncnc2n1 ZINC000395903768 410866630 /nfs/dbraw/zinc/86/66/30/410866630.db2.gz YUJWCWRJSPDLJL-UHFFFAOYSA-N 1 0 246.318 0.974 10 0 BCAERO C[C@H]([NH2+]CC[C@@H]1CCNC1=O)[C@H]1CCCO1 ZINC000395958550 410868050 /nfs/dbraw/zinc/86/80/50/410868050.db2.gz IBHXQSFEMIGSQZ-HBNTYKKESA-N 1 0 226.320 0.670 10 0 BCAERO CCCCCNC(=O)[C@H]1C[C@@H](OC)C[NH2+]1 ZINC000040630114 410881760 /nfs/dbraw/zinc/88/17/60/410881760.db2.gz TYNMYEUMDUMWNK-NXEZZACHSA-N 1 0 214.309 0.670 10 0 BCAERO CC(C)C[NH2+][C@@]1(C(N)=O)CCSC1 ZINC000037946085 167014106 /nfs/dbraw/zinc/01/41/06/167014106.db2.gz ANTSGIMJTZIARY-VIFPVBQESA-N 1 0 202.323 0.593 10 0 BCAERO CC[C@H](C)[C@@H]([NH3+])C(=O)NCc1cc[nH]n1 ZINC000041016323 410904156 /nfs/dbraw/zinc/90/41/56/410904156.db2.gz BBUZNZOIPGVBLA-IONNQARKSA-N 1 0 210.281 0.399 10 0 BCAERO CC(C)NC(=O)CC[N@@H+]1CCCNC(=O)[C@H]1C ZINC000189268450 167040052 /nfs/dbraw/zinc/04/00/52/167040052.db2.gz AHXPBVPOVFQHDJ-SNVBAGLBSA-N 1 0 241.335 0.112 10 0 BCAERO CC(C)NC(=O)CN(C)C(=O)[C@@](C)([NH3+])C1CC1 ZINC000037801355 167046350 /nfs/dbraw/zinc/04/63/50/167046350.db2.gz DQOJAQHYALLDJU-LBPRGKRZSA-N 1 0 241.335 0.097 10 0 BCAERO CC(C)NC(=O)C[N@@H+]1CCC[C@H](O)[C@@H]1C ZINC000335595260 167051401 /nfs/dbraw/zinc/05/14/01/167051401.db2.gz ARKNDLMCIXPMPM-UWVGGRQHSA-N 1 0 214.309 0.356 10 0 BCAERO CC(C)NC(=O)CNCC(C)(C)C[NH+](C)C ZINC000020043053 167058922 /nfs/dbraw/zinc/05/89/22/167058922.db2.gz OSNGHXBDKHFXAD-UHFFFAOYSA-N 1 0 229.368 0.688 10 0 BCAERO CC(C)NC(=O)C[NH2+][C@H]1CCC[C@H]1O ZINC000037690208 167060295 /nfs/dbraw/zinc/06/02/95/167060295.db2.gz SSAOTRSXDGFTHQ-DTWKUNHWSA-N 1 0 200.282 0.014 10 0 BCAERO CC(C)NC(=O)C[NH2+][C@H](C)CN1CCCCC1 ZINC000049501751 167060377 /nfs/dbraw/zinc/06/03/77/167060377.db2.gz LXYQSKHIABMKLM-GFCCVEGCSA-N 1 0 241.379 0.975 10 0 BCAERO CC(C)NC(=O)C[NH2+][C@H]1CCCCC[C@@H]1O ZINC000037892472 167061505 /nfs/dbraw/zinc/06/15/05/167061505.db2.gz LCMUEWDVPFENNY-QWRGUYRKSA-N 1 0 228.336 0.794 10 0 BCAERO CC(C)[NH2+]C[C@@H](O)COC(=O)C(C)C ZINC000027714433 167110592 /nfs/dbraw/zinc/11/05/92/167110592.db2.gz SHTPXEZKTADGQI-SECBINFHSA-N 1 0 203.282 0.545 10 0 BCAERO CC(C)[NH2+]C[C@@H](O)COc1cccnn1 ZINC000165466584 167111109 /nfs/dbraw/zinc/11/11/09/167111109.db2.gz FCHHWNIIBDEKBS-SECBINFHSA-N 1 0 211.265 0.214 10 0 BCAERO CC(C)[NH2+]C[C@H](O)CN(C)Cc1cccnc1 ZINC000036771049 167113927 /nfs/dbraw/zinc/11/39/27/167113927.db2.gz ADKGJBZOAGOJON-ZDUSSCGKSA-N 1 0 237.347 0.872 10 0 BCAERO CC(C)[NH2+]Cc1nnnn1C[C@@H]1CCCOC1 ZINC000054747702 167123444 /nfs/dbraw/zinc/12/34/44/167123444.db2.gz JTKPLJFFDLRMJO-JTQLQIEISA-N 1 0 239.323 0.598 10 0 BCAERO CC(C)N[C@@H](CC[N@H+](C)[C@@H](C)C1CC1)C(N)=O ZINC000062449490 167132329 /nfs/dbraw/zinc/13/23/29/167132329.db2.gz QYZTWMDOIIMSRT-JQWIXIFHSA-N 1 0 241.379 0.959 10 0 BCAERO CC(C)[NH2+][C@H](C(N)=O)C1CCOCC1 ZINC000052178841 167136906 /nfs/dbraw/zinc/13/69/06/167136906.db2.gz FNMBCDQQADYKOB-VIFPVBQESA-N 1 0 200.282 0.265 10 0 BCAERO Cn1cc(CNC(=O)C2CCC([NH3+])CC2)cn1 ZINC000041160147 410911270 /nfs/dbraw/zinc/91/12/70/410911270.db2.gz SCNXIKHNKSZRAU-UHFFFAOYSA-N 1 0 236.319 0.554 10 0 BCAERO CC(C)Oc1ccc([C@@H](O)[C@@H]([NH3+])CO)cc1 ZINC000077338500 167298633 /nfs/dbraw/zinc/29/86/33/167298633.db2.gz JUHJYXUEHDXHSE-NWDGAFQWSA-N 1 0 225.288 0.827 10 0 BCAERO CC(C)Oc1ncccc1C[NH2+]CCO ZINC000042391632 167313778 /nfs/dbraw/zinc/31/37/78/167313778.db2.gz KPRUPFXGSNRMOK-UHFFFAOYSA-N 1 0 210.277 0.951 10 0 BCAERO CC(C)C[C@@H]([NH3+])C(=O)N[C@@H](C)c1ncon1 ZINC000397976155 410938335 /nfs/dbraw/zinc/93/83/35/410938335.db2.gz DKZOPAHANNFQKD-JGVFFNPUSA-N 1 0 226.280 0.620 10 0 BCAERO CC(C)[C@@H](C)NC(=O)C[NH2+][C@@H](C)C(=O)N(C)C ZINC000049308385 167372666 /nfs/dbraw/zinc/37/26/66/167372666.db2.gz CDYQVIVNQJKBSF-ZJUUUORDSA-N 1 0 243.351 0.213 10 0 BCAERO CC(C)[C@@H](C)[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC000011283485 167381453 /nfs/dbraw/zinc/38/14/53/167381453.db2.gz NSEISQZYWPDLCT-SECBINFHSA-N 1 0 239.319 0.218 10 0 BCAERO CC(C)[C@@H](C)NS(=O)(=O)C1CC[NH2+]CC1 ZINC000049642706 167384287 /nfs/dbraw/zinc/38/42/87/167384287.db2.gz KMHUXEXLWZOLCR-SECBINFHSA-N 1 0 234.365 0.702 10 0 BCAERO Cc1ocnc1CNC(=O)C[C@H]([NH3+])C(C)C ZINC000398071089 410940512 /nfs/dbraw/zinc/94/05/12/410940512.db2.gz NWEHDWAFNVNAGK-VIFPVBQESA-N 1 0 225.292 0.973 10 0 BCAERO CC(C)[C@@H](CN(C)C)[NH2+]CC(=O)N(C)C1CC1 ZINC000049305398 167394781 /nfs/dbraw/zinc/39/47/81/167394781.db2.gz AOBFUYLHZKUDMZ-GFCCVEGCSA-N 1 0 241.379 0.783 10 0 BCAERO CC(C)[C@@H](CN(C)C)[NH2+]CCN1CCNC1=O ZINC000049216259 167395765 /nfs/dbraw/zinc/39/57/65/167395765.db2.gz QSNGODVBWIDMMM-LLVKDONJSA-N 1 0 242.367 0.187 10 0 BCAERO CC(C)[C@@H](C[NH+](C)C)NC(=O)c1cc(N)c[nH]1 ZINC000049191941 167395927 /nfs/dbraw/zinc/39/59/27/167395927.db2.gz CRVFSFYWKXRYDR-LLVKDONJSA-N 1 0 238.335 0.913 10 0 BCAERO O=C(c1nc[nH]n1)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000104336900 410931673 /nfs/dbraw/zinc/93/16/73/410931673.db2.gz MTSCFDXGNPIWCE-VHSXEESVSA-N 1 0 249.318 0.409 10 0 BCAERO COC[C@@H](C)CNC(=O)C1CCC([NH3+])CC1 ZINC000041679341 410934029 /nfs/dbraw/zinc/93/40/29/410934029.db2.gz SLVCJMAUWTWVHQ-WHXUTIOJSA-N 1 0 228.336 0.903 10 0 BCAERO CC[C@H](C(N)=O)[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000398719122 410982193 /nfs/dbraw/zinc/98/21/93/410982193.db2.gz GXSZZKDCJMSIBZ-LNFKQOIKSA-N 1 0 226.320 0.343 10 0 BCAERO CN(C[C@@H]1CCOC1)C(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000398854758 410992757 /nfs/dbraw/zinc/99/27/57/410992757.db2.gz TUMGKSWGICAXRQ-SRVKXCTJSA-N 1 0 240.347 0.856 10 0 BCAERO CCN(CC)S(=O)(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000061883989 169794476 /nfs/dbraw/zinc/79/44/76/169794476.db2.gz ADNOGNWULRUIDK-NXEZZACHSA-N 1 0 249.380 0.290 10 0 BCAERO [NH3+][C@@H](C(=O)NCC[C@@H]1CCCO1)C1CCC1 ZINC000398977429 411004314 /nfs/dbraw/zinc/00/43/14/411004314.db2.gz DLAIMFBBTJWVLD-WDEREUQCSA-N 1 0 226.320 0.799 10 0 BCAERO C[C@@H](O)CCNC(=O)[C@@H]([NH3+])C1CCC1 ZINC000399165635 411021185 /nfs/dbraw/zinc/02/11/85/411021185.db2.gz DVVIGVCAUXMWQG-APPZFPTMSA-N 1 0 200.282 0.001 10 0 BCAERO O[C@H]1C[NH2+]C[C@H]1CNc1ccc2ccccc2n1 ZINC000420255885 411138941 /nfs/dbraw/zinc/13/89/41/411138941.db2.gz TZRFBYDYCFXAKF-AAEUAGOBSA-N 1 0 243.310 1.227 10 0 BCAERO COC[C@H](C)NC(=O)C1(C[NH3+])CCCC1 ZINC000044762079 411139730 /nfs/dbraw/zinc/13/97/30/411139730.db2.gz KAJZOVPAHYKAHM-VIFPVBQESA-N 1 0 214.309 0.657 10 0 BCAERO C[C@@H](C[NH3+])C(=O)NCC[C@H]1CCCO1 ZINC000044808386 411141044 /nfs/dbraw/zinc/14/10/44/411141044.db2.gz SXCABNMUILOJBL-DTWKUNHWSA-N 1 0 200.282 0.267 10 0 BCAERO CC(C)c1nc(C2(N)CC[NH2+]CC2)no1 ZINC000040695472 167660646 /nfs/dbraw/zinc/66/06/46/167660646.db2.gz RLXMLLJLIKQUBK-UHFFFAOYSA-N 1 0 210.281 0.730 10 0 BCAERO CC1(C)C[NH2+][C@H]1C(=O)N[C@H]1CCCOC1 ZINC000309514841 411157887 /nfs/dbraw/zinc/15/78/87/411157887.db2.gz RAAIWRZXDNFZJO-IUCAKERBSA-N 1 0 212.293 0.280 10 0 BCAERO CN(C[C@H]1CCCO1)C(=O)CCCC[NH3+] ZINC000069733837 411159452 /nfs/dbraw/zinc/15/94/52/411159452.db2.gz HBCHRUHLJVNMGW-SNVBAGLBSA-N 1 0 214.309 0.753 10 0 BCAERO COc1cccnc1N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000128506143 411102331 /nfs/dbraw/zinc/10/23/31/411102331.db2.gz ZMWSGAUXKUNJRY-MWLCHTKSSA-N 1 0 237.303 0.643 10 0 BCAERO C[C@@H](C(=O)N1CC[C@@H]([NH3+])[C@H]1C)n1cccn1 ZINC000309354299 411107672 /nfs/dbraw/zinc/10/76/72/411107672.db2.gz YBCJENDKDOLMNG-KXUCPTDWSA-N 1 0 222.292 0.392 10 0 BCAERO C[C@H](NC(=O)[C@@H]1CC[C@H]([NH3+])C1)c1nc[nH]n1 ZINC000300394285 411120614 /nfs/dbraw/zinc/12/06/14/411120614.db2.gz LXEHTCXGQZUVNR-RNJXMRFFSA-N 1 0 223.280 0.109 10 0 BCAERO Cn1ccc(C[NH2+][C@@H]2CCOC[C@@H]2O)c1 ZINC000623767094 411162751 /nfs/dbraw/zinc/16/27/51/411162751.db2.gz PWJWWTBJGYADTJ-MNOVXSKESA-N 1 0 210.277 0.265 10 0 BCAERO CC(C)[C@@H]([NH3+])CC(=O)N1C[C@@H](C)OC[C@H]1C ZINC000128922639 411189389 /nfs/dbraw/zinc/18/93/89/411189389.db2.gz IKJQYMFWJKUINT-MXWKQRLJSA-N 1 0 228.336 0.996 10 0 BCAERO CO[C@H](C(=O)N1CCC[C@H]([NH3+])C1)C1CCC1 ZINC000659249498 411195064 /nfs/dbraw/zinc/19/50/64/411195064.db2.gz TUFZORGNWKLXOD-QWRGUYRKSA-N 1 0 226.320 0.751 10 0 BCAERO C[C@@H]1C[C@H](NC(=O)[C@@H]2CC[C@H]([NH3+])C2)CO1 ZINC000402092482 411196368 /nfs/dbraw/zinc/19/63/68/411196368.db2.gz JPJIZJCZYDDJDK-IMSYWVGJSA-N 1 0 212.293 0.407 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)N[C@H]1CO[C@H](C)C1 ZINC000402352393 411216367 /nfs/dbraw/zinc/21/63/67/411216367.db2.gz AIDIDTMMGCYAJT-OPRDCNLKSA-N 1 0 214.309 0.653 10 0 BCAERO C[C@@H]1C[C@@H](O)C[N@H+](C[C@@H]2CCCN2C)C1 ZINC000401592319 411246774 /nfs/dbraw/zinc/24/67/74/411246774.db2.gz SDYIXWQKLUQHFH-GRYCIOLGSA-N 1 0 212.337 0.783 10 0 BCAERO COC[C@H]1CCN(C(=O)C[C@H]([NH3+])C(C)C)C1 ZINC000129095115 411223270 /nfs/dbraw/zinc/22/32/70/411223270.db2.gz JEOKILNSAOASBS-QWRGUYRKSA-N 1 0 228.336 0.855 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)N(C)Cc1cn[nH]c1 ZINC000069763538 411224484 /nfs/dbraw/zinc/22/44/84/411224484.db2.gz HOKCZXFTTOLHTM-SECBINFHSA-N 1 0 210.281 0.496 10 0 BCAERO CO[C@H](C[NH2+]C1CCN(CCO)CC1)C1CC1 ZINC000399039820 411228616 /nfs/dbraw/zinc/22/86/16/411228616.db2.gz QRWQNLPYMUTXDS-CYBMUJFWSA-N 1 0 242.363 0.458 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)N[C@H]1CCOC1 ZINC000129144728 411232431 /nfs/dbraw/zinc/23/24/31/411232431.db2.gz LWYJXDPJMDYBCZ-DTWKUNHWSA-N 1 0 200.282 0.265 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)N[C@@H]1CCOC1 ZINC000129144265 411232963 /nfs/dbraw/zinc/23/29/63/411232963.db2.gz LWYJXDPJMDYBCZ-RKDXNWHRSA-N 1 0 200.282 0.265 10 0 BCAERO C[C@@H](O)[C@H]1CCC[N@@H+]([C@@H]2CCC[C@H]2O)C1 ZINC000660116693 411238099 /nfs/dbraw/zinc/23/80/99/411238099.db2.gz JRNFNHKVQHIRQJ-WRWGMCAJSA-N 1 0 213.321 0.993 10 0 BCAERO Cc1nccc(C(=O)N2C[C@H](C)[C@H]([NH3+])C2)n1 ZINC000396900026 411240469 /nfs/dbraw/zinc/24/04/69/411240469.db2.gz XCPQKZXCSBASCV-IONNQARKSA-N 1 0 220.276 0.204 10 0 BCAERO CC(C)(CC(N)=O)NC(=O)CC[C@H]1CCC[NH2+]1 ZINC000310566509 411240969 /nfs/dbraw/zinc/24/09/69/411240969.db2.gz MCYONALBQNXDHI-SECBINFHSA-N 1 0 241.335 0.289 10 0 BCAERO C[C@H](NC(=O)CC[C@H]1CCC[NH2+]1)c1nc[nH]n1 ZINC000310577378 411242281 /nfs/dbraw/zinc/24/22/81/411242281.db2.gz QAAVQTROSMGGQQ-DTWKUNHWSA-N 1 0 237.307 0.514 10 0 BCAERO CON(C)C(=O)C1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000536958721 411266180 /nfs/dbraw/zinc/26/61/80/411266180.db2.gz KEFPHPRHGFKNQJ-YUMQZZPRSA-N 1 0 200.282 0.783 10 0 BCAERO Nc1ccn([C@H]2CCCN(CC[NH3+])C2)n1 ZINC000616621499 411287073 /nfs/dbraw/zinc/28/70/73/411287073.db2.gz QGBHDFCUBWFCIM-VIFPVBQESA-N 1 0 209.297 0.061 10 0 BCAERO Nc1cc([C@H]2CN(CC[NH3+])CCCO2)ccn1 ZINC000616654938 411287169 /nfs/dbraw/zinc/28/71/69/411287169.db2.gz MENONUSXUKLYGH-LLVKDONJSA-N 1 0 236.319 0.386 10 0 BCAERO Nc1cc([C@H]2CCCN2CC[NH3+])ccn1 ZINC000616608602 411287230 /nfs/dbraw/zinc/28/72/30/411287230.db2.gz WSMWWRHYYGITBT-SNVBAGLBSA-N 1 0 206.293 0.759 10 0 BCAERO Nc1ccc([C@H]2COCCN(CC[NH3+])C2)cn1 ZINC000616663005 411287414 /nfs/dbraw/zinc/28/74/14/411287414.db2.gz FZHVLPLLPVLYEK-LLVKDONJSA-N 1 0 236.319 0.038 10 0 BCAERO Nc1n[nH]cc1[C@@H]1CCCN(CC[NH3+])CC1 ZINC000616602296 411287422 /nfs/dbraw/zinc/28/74/22/411287422.db2.gz XALHRZCXCPIOJS-SECBINFHSA-N 1 0 223.324 0.520 10 0 BCAERO Nc1cc([C@H]2CCN(CC[NH3+])CCO2)ccn1 ZINC000616593628 411287732 /nfs/dbraw/zinc/28/77/32/411287732.db2.gz AINXCJCJGCDYDU-LLVKDONJSA-N 1 0 236.319 0.386 10 0 BCAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)[C@H]1CCCO1 ZINC000129473682 411289824 /nfs/dbraw/zinc/28/98/24/411289824.db2.gz HFIBIUOBSHKXQE-IVZWLZJFSA-N 1 0 212.293 0.422 10 0 BCAERO CCc1cc(C(=O)N2CC[C@H]([NH3+])[C@H]2C)n(C)n1 ZINC000383515569 411292178 /nfs/dbraw/zinc/29/21/78/411292178.db2.gz MGFBUKMTKYSKGH-SCZZXKLOSA-N 1 0 236.319 0.544 10 0 BCAERO CC(C)OC[C@@H](O)CN1CC[C@H]([NH+](C)C)C1 ZINC000069661328 411303679 /nfs/dbraw/zinc/30/36/79/411303679.db2.gz CQVPONYFYRAAES-RYUDHWBXSA-N 1 0 230.352 0.408 10 0 BCAERO COc1cc(OC)nc(N(C)CC(C)(C)[NH3+])n1 ZINC000656608984 411307525 /nfs/dbraw/zinc/30/75/25/411307525.db2.gz RCWZVCIUSXIFPH-UHFFFAOYSA-N 1 0 240.307 0.667 10 0 BCAERO CNC(=O)c1ccc(NCC2([NH3+])CCCC2)nn1 ZINC000656610859 411308486 /nfs/dbraw/zinc/30/84/86/411308486.db2.gz SLBUXEUHGCHEPD-UHFFFAOYSA-N 1 0 249.318 0.520 10 0 BCAERO COC[C@H]([NH2+]C[C@H]1CC(=O)N(C)C1)C1CC1 ZINC000658242629 411308918 /nfs/dbraw/zinc/30/89/18/411308918.db2.gz JXXUYYLYVMYRGX-KOLCDFICSA-N 1 0 226.320 0.479 10 0 BCAERO CC[C@@H](COC)[NH2+]C[C@H]1CC(=O)N(C)C1 ZINC000658240560 411309009 /nfs/dbraw/zinc/30/90/09/411309009.db2.gz BDWFKSYYGZBRDC-ZJUUUORDSA-N 1 0 214.309 0.479 10 0 BCAERO CN1C[C@H](C[NH2+][C@@H]2CCOC2(C)C)CC1=O ZINC000658241200 411309466 /nfs/dbraw/zinc/30/94/66/411309466.db2.gz MCNZYXUCGARPFD-VHSXEESVSA-N 1 0 226.320 0.622 10 0 BCAERO C[C@H]1CN(c2cc(CO)ccn2)C[C@@H]1[NH+](C)C ZINC000124785545 411321240 /nfs/dbraw/zinc/32/12/40/411321240.db2.gz VDTWLIGNHNJJDX-JQWIXIFHSA-N 1 0 235.331 0.960 10 0 BCAERO CC(C)[C@@H]([NH3+])CC(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000128852344 411248903 /nfs/dbraw/zinc/24/89/03/411248903.db2.gz SPYSZMHCVASWJJ-AXFHLTTASA-N 1 0 228.336 0.996 10 0 BCAERO C[C@H]1C[NH+](CCn2cccn2)C[C@H](C)O1 ZINC000049982594 411249642 /nfs/dbraw/zinc/24/96/42/411249642.db2.gz HLMUOEWURKNMOR-QWRGUYRKSA-N 1 0 209.293 0.992 10 0 BCAERO OC[C@@H]1C[NH+](C[C@H]2CCC[C@@H](O)C2)CCO1 ZINC000309810395 411252709 /nfs/dbraw/zinc/25/27/09/411252709.db2.gz YVBBXTCWJODTLM-TUAOUCFPSA-N 1 0 229.320 0.231 10 0 BCAERO O[C@@H]1CCC[C@H]1[N@@H+]1CCc2n[nH]cc2C1 ZINC000660136508 411253807 /nfs/dbraw/zinc/25/38/07/411253807.db2.gz LQFWDMYEUBETKD-GHMZBOCLSA-N 1 0 207.277 0.681 10 0 BCAERO CCN(CC)C(=O)[C@@H](C)n1cc(C[NH3+])nn1 ZINC000050224686 411254123 /nfs/dbraw/zinc/25/41/23/411254123.db2.gz DDEWEBLAASOZGL-MRVPVSSYSA-N 1 0 225.296 0.166 10 0 BCAERO CCC(CC)NC(=O)[C@@H](C)n1cc(C[NH3+])nn1 ZINC000050224678 411254961 /nfs/dbraw/zinc/25/49/61/411254961.db2.gz LRCPZSVNYKATRK-MRVPVSSYSA-N 1 0 239.323 0.603 10 0 BCAERO C[C@@H]1C[C@@H]([NH2+]C2CC(CO)C2)CCN1C ZINC000658352918 411356800 /nfs/dbraw/zinc/35/68/00/411356800.db2.gz BYFRNULKXVIDHN-ZYGVAYEYSA-N 1 0 212.337 0.830 10 0 BCAERO C[NH2+][C@@H](C)CNc1ncnc2onc(C)c21 ZINC000304250827 411357224 /nfs/dbraw/zinc/35/72/24/411357224.db2.gz HEAHOHYBFSTVPE-LURJTMIESA-N 1 0 221.264 0.946 10 0 BCAERO COC[C@@H](CCNC(=O)[C@H]1CCC[NH2+]C1)OC ZINC000659334327 411363123 /nfs/dbraw/zinc/36/31/23/411363123.db2.gz AMLZERUMKGLIRX-WDEREUQCSA-N 1 0 244.335 0.154 10 0 BCAERO CC1(C)COCCN1C(=O)CC[NH2+]C1CC1 ZINC000042463020 167970710 /nfs/dbraw/zinc/97/07/10/167970710.db2.gz RCKBAKPWXQBPPK-UHFFFAOYSA-N 1 0 226.320 0.766 10 0 BCAERO CC1(C)COCCN1C(=O)C1CC[NH2+]CC1 ZINC000042462976 167971023 /nfs/dbraw/zinc/97/10/23/167971023.db2.gz UYNBRTPXWULYKR-UHFFFAOYSA-N 1 0 226.320 0.623 10 0 BCAERO CC[C@H]1CN(C(=O)[C@@H]2C[NH2+]C[C@H]2C)[C@@H](C)CO1 ZINC000403941614 411369138 /nfs/dbraw/zinc/36/91/38/411369138.db2.gz NCNWGLMULGGSDS-NOOOWODRSA-N 1 0 240.347 0.868 10 0 BCAERO C[C@H]([NH3+])CCC(=O)N[C@H]1CCC[C@H](O)C1 ZINC000069839347 411371761 /nfs/dbraw/zinc/37/17/61/411371761.db2.gz NCQVDTUIRVHFEC-GUBZILKMSA-N 1 0 214.309 0.534 10 0 BCAERO C[C@]1(C(=O)NCCO[C@H]2CC2(F)F)CCC[NH2+]1 ZINC000659345371 411372245 /nfs/dbraw/zinc/37/22/45/411372245.db2.gz JEQHSKCGDSWSHT-WCBMZHEXSA-N 1 0 248.273 0.669 10 0 BCAERO C[NH2+][C@H](C)C(=O)N1C[C@@H](C)S[C@@H](C)C1 ZINC000069909674 411343981 /nfs/dbraw/zinc/34/39/81/411343981.db2.gz GNXMAYUTRLAUKK-HRDYMLBCSA-N 1 0 216.350 0.947 10 0 BCAERO CC1(CNc2nccn3cnnc23)CC[NH2+]CC1 ZINC000129481724 168050499 /nfs/dbraw/zinc/05/04/99/168050499.db2.gz AJJWTGLRTILFNH-UHFFFAOYSA-N 1 0 246.318 0.926 10 0 BCAERO CC1([NH2+]CC(=O)NC(N)=O)CCCCC1 ZINC000045045714 168062816 /nfs/dbraw/zinc/06/28/16/168062816.db2.gz NCZRJRNAVDUMTJ-UHFFFAOYSA-N 1 0 213.281 0.494 10 0 BCAERO C[C@@H]([NH2+]C1CC(CO)C1)c1ccnn1C ZINC000658353279 411377643 /nfs/dbraw/zinc/37/76/43/411377643.db2.gz KLZOIMCSUFMUCJ-XNWIYYODSA-N 1 0 209.293 0.842 10 0 BCAERO CC1=CC(=O)N(C[C@H]2CCC[NH2+]C2)C1=O ZINC000044503377 168092577 /nfs/dbraw/zinc/09/25/77/168092577.db2.gz VFKXNMDSZITZEA-VIFPVBQESA-N 1 0 208.261 0.301 10 0 BCAERO O=C1NCCC[C@@H]1[NH2+]Cc1cncs1 ZINC000054788437 411380478 /nfs/dbraw/zinc/38/04/78/411380478.db2.gz MAGBYVMWLVIYDR-QMMMGPOBSA-N 1 0 211.290 0.511 10 0 BCAERO CC1CC(=O)N(CC[NH2+]C2CC2)C(=O)C1 ZINC000061829095 168138755 /nfs/dbraw/zinc/13/87/55/168138755.db2.gz DTJQUJZWNUIJFM-UHFFFAOYSA-N 1 0 210.277 0.524 10 0 BCAERO CC1CC(=O)N([C@H](C[NH3+])C2CC2)C(=O)C1 ZINC000082641400 168139212 /nfs/dbraw/zinc/13/92/12/168139212.db2.gz APHLVOYTUPGTOU-SECBINFHSA-N 1 0 210.277 0.509 10 0 BCAERO C(C[N@@H+]1CC[C@@H]2OCCN[C@H]2C1)[C@@H]1CCCO1 ZINC000404073096 411374546 /nfs/dbraw/zinc/37/45/46/411374546.db2.gz DJISPQJVVVTOOB-AVGNSLFASA-N 1 0 240.347 0.618 10 0 BCAERO CC1CCC(C[NH2+]C[C@H](O)CO)CC1 ZINC000063145636 168154673 /nfs/dbraw/zinc/15/46/73/168154673.db2.gz TYBBWPOYFLUDMJ-ILDUYXDCSA-N 1 0 201.310 0.756 10 0 BCAERO C[C@H]([NH3+])CC(=O)NC1(CO)CCC(C)CC1 ZINC000053127440 168156753 /nfs/dbraw/zinc/15/67/53/168156753.db2.gz FXFWEHSPDHXVAU-YZRBJQDESA-N 1 0 228.336 0.781 10 0 BCAERO CC1CCC(CO)([NH2+]CC(=O)NC2CC2)CC1 ZINC000053118919 168156854 /nfs/dbraw/zinc/15/68/54/168156854.db2.gz RSOIKSYUCIHRDW-UHFFFAOYSA-N 1 0 240.347 0.796 10 0 BCAERO CC1CCC(NC(=O)[C@@H]2C[NH2+][C@H](C)CN2)CC1 ZINC000062814232 168161276 /nfs/dbraw/zinc/16/12/76/168161276.db2.gz NBHANDZXUHHERS-RSJDFQLWSA-N 1 0 239.363 0.631 10 0 BCAERO CC1CCC(NS(=O)(=O)CC[NH3+])CC1 ZINC000022173341 168164243 /nfs/dbraw/zinc/16/42/43/168164243.db2.gz SQEKGCPLNSJUAH-UHFFFAOYSA-N 1 0 220.338 0.443 10 0 BCAERO Cc1cc(C)n(CCn2cc(C[NH3+])nn2)n1 ZINC000052575862 411375945 /nfs/dbraw/zinc/37/59/45/411375945.db2.gz BHFWHEGYNKDAGM-UHFFFAOYSA-N 1 0 220.280 0.250 10 0 BCAERO CC1CC[NH+](CC[C@@H](NC2CC2)C(N)=O)CC1 ZINC000062439797 168182552 /nfs/dbraw/zinc/18/25/52/168182552.db2.gz MEZWCUHZTOLWNA-GFCCVEGCSA-N 1 0 239.363 0.714 10 0 BCAERO CC1CC[NH+](CC[C@H]([NH3+])C(=O)[O-])CC1 ZINC000062439818 168182825 /nfs/dbraw/zinc/18/28/25/168182825.db2.gz JWGFTYZSZJIOCV-VIFPVBQESA-N 1 0 200.282 0.520 10 0 BCAERO Cc1c(C[NH2+]CC[C@@]2(O)CCOC2)cnn1C ZINC000404232634 411385268 /nfs/dbraw/zinc/38/52/68/411385268.db2.gz QGWKSRYQSHYLQD-GFCCVEGCSA-N 1 0 239.319 0.360 10 0 BCAERO c1cncc(CCN2CC[C@H]3OCC[NH2+][C@@H]3C2)c1 ZINC000404275498 411387233 /nfs/dbraw/zinc/38/72/33/411387233.db2.gz RTUCISOXYIZDLP-ZIAGYGMSSA-N 1 0 247.342 0.687 10 0 BCAERO CCC(C)(C)NC(=O)[C@H](C)N1CC[NH2+]C[C@@H]1C ZINC000054374436 168295795 /nfs/dbraw/zinc/29/57/95/168295795.db2.gz MGWDQHMAYUMGOM-QWRGUYRKSA-N 1 0 241.379 0.973 10 0 BCAERO COC[C@H](C)NC(=O)CCC(C)(C)[NH3+] ZINC000069633438 411457796 /nfs/dbraw/zinc/45/77/96/411457796.db2.gz FGPBGVBKJCXRQP-QMMMGPOBSA-N 1 0 202.298 0.655 10 0 BCAERO CC(C)([NH3+])CCC(=O)N[C@H]1CCC[C@@H](O)C1 ZINC000069633751 411458100 /nfs/dbraw/zinc/45/81/00/411458100.db2.gz OGHJSZXBMVPGBD-VHSXEESVSA-N 1 0 228.336 0.924 10 0 BCAERO Nc1ccn([C@H]2CCC[N@H+](CCO)C2)n1 ZINC000616618253 411396192 /nfs/dbraw/zinc/39/61/92/411396192.db2.gz UIBFDRFHKWACOB-VIFPVBQESA-N 1 0 210.281 0.095 10 0 BCAERO O=C(NCCc1ccoc1)[C@H]1CCC[NH2+]C1 ZINC000659360589 411403020 /nfs/dbraw/zinc/40/30/20/411403020.db2.gz JKZNOIRFLCLARM-NSHDSACASA-N 1 0 222.288 0.938 10 0 BCAERO C[C@@H]1CCN(C(=O)[C@H]2CC[NH2+]C2)C[C@H](C)O1 ZINC000659374617 411405040 /nfs/dbraw/zinc/40/50/40/411405040.db2.gz PXVHIMMAGRPDRC-VWYCJHECSA-N 1 0 226.320 0.622 10 0 BCAERO COCCNC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653055845 411406711 /nfs/dbraw/zinc/40/67/11/411406711.db2.gz NSNQLFLFKMRJAB-RNFRBKRXSA-N 1 0 240.225 0.147 10 0 BCAERO NC(=O)c1cccc([C@H]2COCCN2CC[NH3+])c1 ZINC000616638250 411407092 /nfs/dbraw/zinc/40/70/92/411407092.db2.gz DCQMKPZNKAUZLN-GFCCVEGCSA-N 1 0 249.314 0.118 10 0 BCAERO COCCN(C)C[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@@H]21 ZINC000653584479 411425013 /nfs/dbraw/zinc/42/50/13/411425013.db2.gz YSCIIGOMTJKOEW-AVGNSLFASA-N 1 0 242.363 0.410 10 0 BCAERO CCO[C@@H]1CN(c2cc(C)ncn2)C[C@H]1C[NH3+] ZINC000405526848 411433124 /nfs/dbraw/zinc/43/31/24/411433124.db2.gz LFQUNNOSSPOBMB-GHMZBOCLSA-N 1 0 236.319 0.585 10 0 BCAERO O=C(NCC1(CO)CCCCC1)[C@H]1CC[NH2+]C1 ZINC000123243115 411439841 /nfs/dbraw/zinc/43/98/41/411439841.db2.gz JKBZNRJSEGOXRT-NSHDSACASA-N 1 0 240.347 0.655 10 0 BCAERO C[C@H](NC(=O)C(C)(C)N1CC[NH2+]CC1)C1CC1 ZINC000131217961 411447095 /nfs/dbraw/zinc/44/70/95/411447095.db2.gz HLLJKRVVHVZPDX-JTQLQIEISA-N 1 0 239.363 0.585 10 0 BCAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)CC(F)(F)F ZINC000306461667 411448441 /nfs/dbraw/zinc/44/84/41/411448441.db2.gz DVEBSYVPPLQXPR-RITPCOANSA-N 1 0 210.199 0.887 10 0 BCAERO Cc1c[nH]c(C[NH2+][C@@H]2CCCN(CCO)C2)n1 ZINC000657352119 411472613 /nfs/dbraw/zinc/47/26/13/411472613.db2.gz RBOYYFJBVOBPQW-LLVKDONJSA-N 1 0 238.335 0.264 10 0 BCAERO CC[C@@H]1C[C@@H]([NH2+]C2CCN(CCO)CC2)CO1 ZINC000657352977 411474043 /nfs/dbraw/zinc/47/40/43/411474043.db2.gz XOYQYLLKZCTOGE-CHWSQXEVSA-N 1 0 242.363 0.600 10 0 BCAERO CC[C@H]1C[C@H]([NH2+]C2CCN(CCO)CC2)CO1 ZINC000657352980 411474123 /nfs/dbraw/zinc/47/41/23/411474123.db2.gz XOYQYLLKZCTOGE-STQMWFEESA-N 1 0 242.363 0.600 10 0 BCAERO C[C@H](O)CCNC(=O)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000407356348 411480857 /nfs/dbraw/zinc/48/08/57/411480857.db2.gz OKLVBOSATDFYFG-GDPRMGEGSA-N 1 0 226.320 0.404 10 0 BCAERO CC(=O)NCCN(C)C(=O)C1CCC([NH3+])CC1 ZINC000308197183 411499281 /nfs/dbraw/zinc/49/92/81/411499281.db2.gz RWWNAVCEQHHNRK-UHFFFAOYSA-N 1 0 241.335 0.098 10 0 BCAERO C[C@@H]1CN(C(=O)C[C@H]2CCOC2)C[C@@H]1C[NH3+] ZINC000638892285 411513279 /nfs/dbraw/zinc/51/32/79/411513279.db2.gz WETDHOUDOYCWAD-MXWKQRLJSA-N 1 0 226.320 0.466 10 0 BCAERO CCN1CC[C@@H]([NH2+]Cc2cnc(C)n2C)C1 ZINC000657495890 411535178 /nfs/dbraw/zinc/53/51/78/411535178.db2.gz KRGUFKVYLBJFJK-LLVKDONJSA-N 1 0 222.336 0.912 10 0 BCAERO CC[N@@H+]1CC[C@@H](CNC(=O)c2c[nH]nc2N)C1 ZINC000037655362 170008151 /nfs/dbraw/zinc/00/81/51/170008151.db2.gz FQPVCFWDCXHURO-QMMMGPOBSA-N 1 0 237.307 0.064 10 0 BCAERO CCN1C[C@@H](C)[C@@H]([NH2+]Cc2ccnn2C)C1 ZINC000309441454 170030455 /nfs/dbraw/zinc/03/04/55/170030455.db2.gz IQOXYDRCGMGGMX-PWSUYJOCSA-N 1 0 222.336 0.850 10 0 BCAERO CCN1C[C@H]([NH2+][C@H](C)CC(=O)NC)[C@@H](C)C1 ZINC000336677221 170036550 /nfs/dbraw/zinc/03/65/50/170036550.db2.gz BLSMNUYOICGZGK-AXFHLTTASA-N 1 0 227.352 0.441 10 0 BCAERO CCN1C[C@H]([NH2+][C@@H](C)CC(=O)NC)[C@@H](C)C1 ZINC000336677224 170037304 /nfs/dbraw/zinc/03/73/04/170037304.db2.gz BLSMNUYOICGZGK-DCAQKATOSA-N 1 0 227.352 0.441 10 0 BCAERO CCN1C[C@H](C)[C@H]([NH2+][C@@H](C)CCO)C1 ZINC000308537434 170038906 /nfs/dbraw/zinc/03/89/06/170038906.db2.gz SVYQIANPFADAAU-GARJFASQSA-N 1 0 200.326 0.687 10 0 BCAERO C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCNC2=O)CS1 ZINC000657521654 411540848 /nfs/dbraw/zinc/54/08/48/411540848.db2.gz BNKGKBUBGAUUHR-IWSPIJDZSA-N 1 0 214.334 0.749 10 0 BCAERO CCNC(=[NH2+])NCCNC(=O)c1ccc(C)cc1 ZINC000052040415 170041889 /nfs/dbraw/zinc/04/18/89/170041889.db2.gz TVMJVJFVBMAQMU-UHFFFAOYSA-N 1 0 248.330 0.859 10 0 BCAERO CCNC(=O)C1CCN(C(=O)C[C@H](C)[NH3+])CC1 ZINC000037819043 170044275 /nfs/dbraw/zinc/04/42/75/170044275.db2.gz KYZXNHOCIMXOIZ-VIFPVBQESA-N 1 0 241.335 0.098 10 0 BCAERO CCNC(=O)CCc1csc(CC[NH3+])n1 ZINC000049820932 170053788 /nfs/dbraw/zinc/05/37/88/170053788.db2.gz DADYXRWSVCVYGZ-UHFFFAOYSA-N 1 0 227.333 0.713 10 0 BCAERO CCNC(=O)CN(C)C(=O)C[C@@H]1CCCC[NH2+]1 ZINC000049716927 170053843 /nfs/dbraw/zinc/05/38/43/170053843.db2.gz ATVKRSKUKAOEJG-JTQLQIEISA-N 1 0 241.335 0.113 10 0 BCAERO CCNC(=O)CNC(=O)C1(CC)CC[NH2+]CC1 ZINC000062848261 170062503 /nfs/dbraw/zinc/06/25/03/170062503.db2.gz NZNILNXJAMEDNS-UHFFFAOYSA-N 1 0 241.335 0.019 10 0 BCAERO CCNC(=O)C[NH2+][C@@H](C)C(=O)NC(CC)CC ZINC000035207080 170064838 /nfs/dbraw/zinc/06/48/38/170064838.db2.gz KXJDVRBWZLEQGQ-VIFPVBQESA-N 1 0 243.351 0.405 10 0 BCAERO CCNC(=O)NC(=O)[C@@H](C)[NH2+]C1CCCC1 ZINC000020300095 170077195 /nfs/dbraw/zinc/07/71/95/170077195.db2.gz WQPPEUBLTMCWMP-MRVPVSSYSA-N 1 0 227.308 0.753 10 0 BCAERO CCNC(=O)NC(=O)[C@@H](C)[NH2+]C1CCC1 ZINC000052210304 170077218 /nfs/dbraw/zinc/07/72/18/170077218.db2.gz BEZZJIZMLIOOPD-SSDOTTSWSA-N 1 0 213.281 0.363 10 0 BCAERO CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](C)C(C)C ZINC000020309716 170077677 /nfs/dbraw/zinc/07/76/77/170077677.db2.gz HMRLPMZARMUQTP-DTWKUNHWSA-N 1 0 229.324 0.855 10 0 BCAERO CCNC(=O)NC(=O)[C@H](C)[NH2+]C1CCCC1 ZINC000020300097 170078891 /nfs/dbraw/zinc/07/88/91/170078891.db2.gz WQPPEUBLTMCWMP-QMMMGPOBSA-N 1 0 227.308 0.753 10 0 BCAERO CCNC(=O)[C@@H](C)N(C)c1cc[nH+]cc1N ZINC000042141437 170086454 /nfs/dbraw/zinc/08/64/54/170086454.db2.gz VKVAXUIRSWNGDF-MRVPVSSYSA-N 1 0 222.292 0.625 10 0 BCAERO CCNC(=O)[C@@H](C)[NH2+]C1CCOCC1 ZINC000036304746 170087586 /nfs/dbraw/zinc/08/75/86/170087586.db2.gz BMALVISCWTVINT-MRVPVSSYSA-N 1 0 200.282 0.280 10 0 BCAERO CCNC(=O)[C@@H](C)[NH2+]C[C@H]1CCCOC1 ZINC000038045806 170087906 /nfs/dbraw/zinc/08/79/06/170087906.db2.gz BPYRIRBQNUEHCP-NXEZZACHSA-N 1 0 214.309 0.527 10 0 BCAERO CCNC(=O)[C@@H](C)[NH2+][C@@H](C)CN1CCCCC1 ZINC000049501582 170088286 /nfs/dbraw/zinc/08/82/86/170088286.db2.gz ROPZOBCKWWUTIE-NWDGAFQWSA-N 1 0 241.379 0.975 10 0 BCAERO CCNC(=O)[C@H](C)NC(=O)C1(C)CC[NH2+]CC1 ZINC000062839882 170092616 /nfs/dbraw/zinc/09/26/16/170092616.db2.gz CGHBJQXEDBZJRE-VIFPVBQESA-N 1 0 241.335 0.017 10 0 BCAERO CCNC(=O)[C@H](C)[NH2+]C1CCN(C)CC1 ZINC000037249012 170095144 /nfs/dbraw/zinc/09/51/44/170095144.db2.gz BBRXRRRSWPKRSJ-VIFPVBQESA-N 1 0 213.325 0.195 10 0 BCAERO CCNC(=O)[C@H]([NH3+])Cc1ccc(O)cc1 ZINC000077558548 170097847 /nfs/dbraw/zinc/09/78/47/170097847.db2.gz PPQZHIVWDNKJPZ-SNVBAGLBSA-N 1 0 208.261 0.398 10 0 BCAERO CCNC(=O)c1cc(N[C@H]2C[C@H]2[NH3+])ccn1 ZINC000036267869 170100744 /nfs/dbraw/zinc/10/07/44/170100744.db2.gz OWLCUQMGCYEZIQ-BDAKNGLRSA-N 1 0 220.276 0.343 10 0 BCAERO CC[NH2+]C(C)(C)C(=O)NC1CCC(O)CC1 ZINC000061278577 170107871 /nfs/dbraw/zinc/10/78/71/170107871.db2.gz YMYBRTGUKQPWAF-UHFFFAOYSA-N 1 0 228.336 0.794 10 0 BCAERO CC[NH2+]C1(CO)CCN(C(C)C)CC1 ZINC000038120098 170108251 /nfs/dbraw/zinc/10/82/51/170108251.db2.gz XVBKYDORSCUIIA-UHFFFAOYSA-N 1 0 200.326 0.831 10 0 BCAERO CCNC1(C(N)=O)C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000037869547 170108264 /nfs/dbraw/zinc/10/82/64/170108264.db2.gz WLTMFEISHZGCBC-SLHIUPAKSA-N 1 0 211.309 0.077 10 0 BCAERO CC[NH2+]C1CCN(C[C@@H]2COCCO2)CC1 ZINC000038062673 170108872 /nfs/dbraw/zinc/10/88/72/170108872.db2.gz BMQJVSKYWQCNAG-GFCCVEGCSA-N 1 0 228.336 0.476 10 0 BCAERO CC[NH2+]C1CCN(c2cnn(C)c2)CC1 ZINC000035737985 170109620 /nfs/dbraw/zinc/10/96/20/170109620.db2.gz NCLJJGXGIQBJII-UHFFFAOYSA-N 1 0 208.309 0.998 10 0 BCAERO CC[NH2+]CCC(=O)NCc1cccnc1OC ZINC000061293236 170111434 /nfs/dbraw/zinc/11/14/34/170111434.db2.gz KFIKSQWBNJFLAX-UHFFFAOYSA-N 1 0 237.303 0.706 10 0 BCAERO CC[NH2+]CCC(=O)N1CCO[C@@H]2CCC[C@H]21 ZINC000061299164 170111805 /nfs/dbraw/zinc/11/18/05/170111805.db2.gz DEFOJOSMECUGJX-GHMZBOCLSA-N 1 0 226.320 0.766 10 0 BCAERO CC[NH2+]CCCNc1cc(C(N)=O)ccn1 ZINC000038043473 170112839 /nfs/dbraw/zinc/11/28/39/170112839.db2.gz VOFVFGNSWZIFNX-UHFFFAOYSA-N 1 0 222.292 0.592 10 0 BCAERO CC[NH2+]CCN1c2ccccc2C(=O)C1=O ZINC000042410248 170113398 /nfs/dbraw/zinc/11/33/98/170113398.db2.gz YMQZGNFSLZIRAI-UHFFFAOYSA-N 1 0 218.256 0.825 10 0 BCAERO CC[NH2+]CCCn1nc2n(c1=O)CCCC2 ZINC000061817736 170113402 /nfs/dbraw/zinc/11/34/02/170113402.db2.gz URMJGJSYNSQFGL-UHFFFAOYSA-N 1 0 224.308 0.381 10 0 BCAERO CC[NH2+]C[C@@H](C)C(=O)N1CCOC(C)(C)C1 ZINC000061230249 170118071 /nfs/dbraw/zinc/11/80/71/170118071.db2.gz FMFAKFTVSACICL-SNVBAGLBSA-N 1 0 228.336 0.869 10 0 BCAERO CC[NH2+]C[C@@H](C)C(=O)N(CC(=O)OC)C(C)C ZINC000061236628 170118317 /nfs/dbraw/zinc/11/83/17/170118317.db2.gz MWCZMTCLIQYXFE-SNVBAGLBSA-N 1 0 244.335 0.642 10 0 BCAERO CC[NH2+]C[C@@H](O)COc1ccccc1C(N)=O ZINC000036951099 170119255 /nfs/dbraw/zinc/11/92/55/170119255.db2.gz WYVKLGUOKILEJO-SECBINFHSA-N 1 0 238.287 0.135 10 0 BCAERO CC[NH2+]C[C@@H](C)C(=O)N1CCn2ccnc2C1 ZINC000062254864 170119283 /nfs/dbraw/zinc/11/92/83/170119283.db2.gz MDEUBRFZZZDAFK-SNVBAGLBSA-N 1 0 236.319 0.471 10 0 BCAERO CC[NH2+]C[C@@H](C)C(=O)NCCc1nccn1C ZINC000061266932 170119459 /nfs/dbraw/zinc/11/94/59/170119459.db2.gz XWLIUNMZXJOSOL-SNVBAGLBSA-N 1 0 238.335 0.324 10 0 BCAERO CC[NH2+]C[C@H](C)C(=O)NCCc1cccnc1 ZINC000061234329 170121868 /nfs/dbraw/zinc/12/18/68/170121868.db2.gz VAIJWWFOYVOICU-NSHDSACASA-N 1 0 235.331 0.986 10 0 BCAERO CC[NH2+]C[C@H](C)C(=O)N1CCO[C@H](C)C1 ZINC000061227130 170121910 /nfs/dbraw/zinc/12/19/10/170121910.db2.gz BKWQDVHKJRKOJA-VHSXEESVSA-N 1 0 214.309 0.479 10 0 BCAERO CC[NH2+]C[C@H](O)CN(CC)Cc1ccncc1 ZINC000042515610 170121934 /nfs/dbraw/zinc/12/19/34/170121934.db2.gz CEWCDIAAEUIIDG-ZDUSSCGKSA-N 1 0 237.347 0.874 10 0 BCAERO CC[NH2+]C[C@H](C)N1CCS(=O)CC1 ZINC000052516081 170122071 /nfs/dbraw/zinc/12/20/71/170122071.db2.gz GZMMZRITYHRQDB-VIFPVBQESA-N 1 0 204.339 0.049 10 0 BCAERO CC[NH2+]Cc1csc(CS(C)(=O)=O)n1 ZINC000052789329 170130363 /nfs/dbraw/zinc/13/03/63/170130363.db2.gz JPRDBUAQLYPXLP-UHFFFAOYSA-N 1 0 234.346 0.797 10 0 BCAERO CCNS(=O)(=O)c1ccc(CC[NH3+])s1 ZINC000021951036 170137316 /nfs/dbraw/zinc/13/73/16/170137316.db2.gz XEQFNPWJFWVCNX-UHFFFAOYSA-N 1 0 234.346 0.548 10 0 BCAERO CC[NH2+][C@@H](C)CC(=O)N1CCOC[C@H]1C ZINC000061269681 170138692 /nfs/dbraw/zinc/13/86/92/170138692.db2.gz BTLQIQRBCMJZGJ-VHSXEESVSA-N 1 0 214.309 0.622 10 0 BCAERO CC[NH2+][C@@H](C)CN1CCn2ccnc2C1 ZINC000062250407 170138811 /nfs/dbraw/zinc/13/88/11/170138811.db2.gz KCWLUBGKUPGULT-JTQLQIEISA-N 1 0 208.309 0.697 10 0 BCAERO CC[NH2+][C@@H](C)CC(=O)N1CCN(C)CC1 ZINC000061268695 170139497 /nfs/dbraw/zinc/13/94/97/170139497.db2.gz VKPSNGCSGSACTL-JTQLQIEISA-N 1 0 213.325 0.149 10 0 BCAERO CC[NH2+][C@@H](C)C[C@@H]1CCS(=O)(=O)C1 ZINC000038085317 170140161 /nfs/dbraw/zinc/14/01/61/170140161.db2.gz UKHFFNYUQBDGOD-IUCAKERBSA-N 1 0 205.323 0.809 10 0 BCAERO CC[NH2+][C@@H](C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000043301163 170142623 /nfs/dbraw/zinc/14/26/23/170142623.db2.gz CMGVQUDYBFFBRH-UWVGGRQHSA-N 1 0 217.334 0.809 10 0 BCAERO CC[NH2+][C@@H]1CCN(C[C@H]2CCCCO2)C1=O ZINC000042821711 170151564 /nfs/dbraw/zinc/15/15/64/170151564.db2.gz TUEXTTPJNHQJHN-GHMZBOCLSA-N 1 0 226.320 0.766 10 0 BCAERO CC[NH2+][C@@H]1CCN(CCc2cccnc2)C1=O ZINC000049648829 170151581 /nfs/dbraw/zinc/15/15/81/170151581.db2.gz KXLRLBOUTXREAN-GFCCVEGCSA-N 1 0 233.315 0.835 10 0 BCAERO CC[NH2+][C@@H]1CCN([C@]2(C)CCS(=O)(=O)C2)C1 ZINC000044930961 170152475 /nfs/dbraw/zinc/15/24/75/170152475.db2.gz OBPVNQFVNMEDCG-GHMZBOCLSA-N 1 0 246.376 0.247 10 0 BCAERO CCN[C@@]1(C(=O)OC)C[NH+]2CCC1CC2 ZINC000037447035 170156115 /nfs/dbraw/zinc/15/61/15/170156115.db2.gz KAYVGALLYPOROV-NSHDSACASA-N 1 0 212.293 0.233 10 0 BCAERO CC[NH2+][C@H](C)CC(=O)N[C@H](C)Cn1ccnc1 ZINC000061270004 170156795 /nfs/dbraw/zinc/15/67/95/170156795.db2.gz WOFFEIYCGLEEQJ-GHMZBOCLSA-N 1 0 238.335 0.776 10 0 BCAERO CC[NH2+][C@H](C)CC(=O)N(CC(N)=O)CC(C)C ZINC000061272523 170156797 /nfs/dbraw/zinc/15/67/97/170156797.db2.gz QASZJMXMZKUKCB-SNVBAGLBSA-N 1 0 243.351 0.344 10 0 BCAERO CC[NH2+][C@H](C)CC(=O)N[C@@H](C)c1nncn1C ZINC000061270716 170156862 /nfs/dbraw/zinc/15/68/62/170156862.db2.gz MZGJMVQCMUGPKU-BDAKNGLRSA-N 1 0 239.323 0.380 10 0 BCAERO CC[NH2+][C@H](CC)Cc1nc(-c2nc[nH]n2)no1 ZINC000104067092 170160958 /nfs/dbraw/zinc/16/09/58/170160958.db2.gz QKVPRLVOXAAAOY-SSDOTTSWSA-N 1 0 236.279 0.785 10 0 BCAERO CC[NH2+][C@H]1CCC[C@H]1CN1CCS(=O)CC1 ZINC000053873145 170166477 /nfs/dbraw/zinc/16/64/77/170166477.db2.gz ZDXDYIFHSVHRAS-RYUDHWBXSA-N 1 0 244.404 0.829 10 0 BCAERO CC[NH2+][C@H]1CCN(CCc2cccnc2)C1=O ZINC000049648830 170168228 /nfs/dbraw/zinc/16/82/28/170168228.db2.gz KXLRLBOUTXREAN-LBPRGKRZSA-N 1 0 233.315 0.835 10 0 BCAERO CC[NH2+][C@](C)(C(N)=O)c1cccc(O)c1 ZINC000037447665 170170556 /nfs/dbraw/zinc/17/05/56/170170556.db2.gz VNWXXKXQYAEUIC-NSHDSACASA-N 1 0 208.261 0.702 10 0 BCAERO CCOC(=O)CC[N@H+](C)[C@H](C)C(=O)NC ZINC000050067342 170205060 /nfs/dbraw/zinc/20/50/60/170205060.db2.gz QXOCAQXDRSMEII-MRVPVSSYSA-N 1 0 216.281 0.006 10 0 BCAERO CCOC(=O)CCNC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054309040 170207416 /nfs/dbraw/zinc/20/74/16/170207416.db2.gz CFJMFSPWHMFZHO-JTQLQIEISA-N 1 0 242.319 0.446 10 0 BCAERO CCOC(=O)CN(C(=O)[C@@H]1CCC[NH2+]1)C(C)C ZINC000038101166 170212267 /nfs/dbraw/zinc/21/22/67/170212267.db2.gz ZDDIHLWAUIXWRU-JTQLQIEISA-N 1 0 242.319 0.539 10 0 BCAERO CCOC(=O)CN(C(=O)C[NH2+]C1CC1)C(C)C ZINC000038101230 170212493 /nfs/dbraw/zinc/21/24/93/170212493.db2.gz MIAODWXKXVZTGU-UHFFFAOYSA-N 1 0 242.319 0.539 10 0 BCAERO CCOC(=O)CN1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000082699508 170222629 /nfs/dbraw/zinc/22/26/29/170222629.db2.gz BGKLPLRCWSNQOC-WDEREUQCSA-N 1 0 226.320 0.718 10 0 BCAERO CCOC(=O)COCC[N@@H+]1CC[C@@H](CCO)C1 ZINC000123628880 170227946 /nfs/dbraw/zinc/22/79/46/170227946.db2.gz BPKNSVCREBXIGM-NSHDSACASA-N 1 0 245.319 0.270 10 0 BCAERO O[C@H](C[NH2+][C@H]1CCOC1)COCc1ccco1 ZINC000131536271 411557109 /nfs/dbraw/zinc/55/71/09/411557109.db2.gz LYGKQLFNJWCQMQ-WDEREUQCSA-N 1 0 241.287 0.536 10 0 BCAERO CCOC(=O)N1CCC(NCC(=O)OC)CC1 ZINC000020056406 170239072 /nfs/dbraw/zinc/23/90/72/170239072.db2.gz DLQPUJDUNKYMSZ-UHFFFAOYSA-N 1 0 244.291 0.370 10 0 BCAERO CCOC(=O)N1CC[C@@H]([NH3+])[C@@H](OC)C1 ZINC000023549725 170240207 /nfs/dbraw/zinc/24/02/07/170240207.db2.gz FIIGTSPAEONQHZ-SFYZADRCSA-N 1 0 202.254 0.191 10 0 BCAERO CCOC(=O)[C@@H](CC[N@@H+]1CCCOCC1)NC ZINC000062533292 170251051 /nfs/dbraw/zinc/25/10/51/170251051.db2.gz KBBSXIZPFISCJM-LLVKDONJSA-N 1 0 244.335 0.250 10 0 BCAERO CCOC(=O)[C@@H](N)C[N@@H+]1CCC[C@@H]1CC ZINC000045367233 170252544 /nfs/dbraw/zinc/25/25/44/170252544.db2.gz NHEKUDQMIDLHRP-UWVGGRQHSA-N 1 0 214.309 0.751 10 0 BCAERO CCOC(=O)[C@@H](NCC[NH+](C)C)[C@@H]1CCOC1 ZINC000037965158 170255294 /nfs/dbraw/zinc/25/52/94/170255294.db2.gz NFEBCOXRKXPORF-MNOVXSKESA-N 1 0 244.335 0.106 10 0 BCAERO CCOC(=O)[C@@H]1SC(=[NH2+])N(N)[C@H]1C ZINC000039085231 170260512 /nfs/dbraw/zinc/26/05/12/170260512.db2.gz FJIZHFAPXZUDEL-CRCLSJGQSA-N 1 0 203.267 0.164 10 0 BCAERO CCOC(=O)[C@H](C)C[NH2+][C@H](C)c1nncn1C ZINC000050418188 170264957 /nfs/dbraw/zinc/26/49/57/170264957.db2.gz DRAVHEHWLQXRLD-RKDXNWHRSA-N 1 0 240.307 0.665 10 0 BCAERO CCOC(=O)[C@H](N)C[N@H+](C)CCC(C)C ZINC000045427608 170275952 /nfs/dbraw/zinc/27/59/52/170275952.db2.gz RHPPEDKNNZFQGJ-SNVBAGLBSA-N 1 0 216.325 0.855 10 0 BCAERO CCOC(=O)[C@H]1CCCN(C(=O)C2C[NH2+]C2)C1 ZINC000090035529 170279796 /nfs/dbraw/zinc/27/97/96/170279796.db2.gz FEKKBYFYCDWEMT-VIFPVBQESA-N 1 0 240.303 0.008 10 0 BCAERO CCOC(=O)c1cc2c(N)cc[nH+]c2[nH]c1=O ZINC000097758620 170293121 /nfs/dbraw/zinc/29/31/21/170293121.db2.gz GDVKTUKCOGSDPZ-UHFFFAOYSA-N 1 0 233.227 0.682 10 0 BCAERO CCOC(=O)c1ccc(C[C@@H]([NH3+])CO)cc1 ZINC000021994717 170295923 /nfs/dbraw/zinc/29/59/23/170295923.db2.gz VJIWQOFFALAANL-LLVKDONJSA-N 1 0 223.272 0.725 10 0 BCAERO CCOC(=O)c1cnc(C[NH3+])nc1Cl ZINC000095760920 170301738 /nfs/dbraw/zinc/30/17/38/170301738.db2.gz CYBHOGRYYDOVMU-UHFFFAOYSA-N 1 0 215.640 0.765 10 0 BCAERO CCOCC(=O)N1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000051358488 170340499 /nfs/dbraw/zinc/34/04/99/170340499.db2.gz UEDJWRMYEKHUSF-GHMZBOCLSA-N 1 0 226.320 0.766 10 0 BCAERO CCOCC(=O)N1CC[C@H](C)C[C@H]1C[NH3+] ZINC000233975906 170341807 /nfs/dbraw/zinc/34/18/07/170341807.db2.gz IBOFPMRPSPBWRF-UWVGGRQHSA-N 1 0 214.309 0.609 10 0 BCAERO CCOCCC[NH2+][C@H](C)C(=O)NCCOC ZINC000034937634 170382031 /nfs/dbraw/zinc/38/20/31/170382031.db2.gz DVIUPUGDRGYLQZ-SNVBAGLBSA-N 1 0 232.324 0.154 10 0 BCAERO CCOCCC[NH2+][C@@H]1CCC(=O)N[C@H]1C ZINC000309054298 170382227 /nfs/dbraw/zinc/38/22/27/170382227.db2.gz SSBJZUOMTNDHQS-VHSXEESVSA-N 1 0 214.309 0.670 10 0 BCAERO CCOCCC[NH2+][C@@H]1CCS(=O)(=O)C1 ZINC000022218911 170382362 /nfs/dbraw/zinc/38/23/62/170382362.db2.gz UPVCDGQPRSMTHO-SECBINFHSA-N 1 0 221.322 0.190 10 0 BCAERO CCOCCN1CC[N@H+](C[C@H](O)CC)C[C@H]1C ZINC000106386523 170399384 /nfs/dbraw/zinc/39/93/84/170399384.db2.gz ZRXUNUJPMOOXFL-CHWSQXEVSA-N 1 0 244.379 0.800 10 0 BCAERO CN1C[C@@H](C[NH2+]Cc2cccnc2)CC1=O ZINC000657694584 411580733 /nfs/dbraw/zinc/58/07/33/411580733.db2.gz MXNGGKHOWKCUFL-LLVKDONJSA-N 1 0 219.288 0.650 10 0 BCAERO CC[C@@H]1C[C@H]([NH2+]C[C@@H]2CC(=O)N(C)C2)CO1 ZINC000657696342 411581478 /nfs/dbraw/zinc/58/14/78/411581478.db2.gz HREMEWLHYSNOQM-GARJFASQSA-N 1 0 226.320 0.622 10 0 BCAERO Cc1ncc(C[NH2+]C[C@H]2CC(=O)N(C)C2)n1C ZINC000657696282 411581487 /nfs/dbraw/zinc/58/14/87/411581487.db2.gz GWOJKVUJROFCLV-SNVBAGLBSA-N 1 0 236.319 0.296 10 0 BCAERO Cc1nc(C[NH2+]C[C@@H]2CC(=O)N(C)C2)[nH]c1C ZINC000657697599 411581973 /nfs/dbraw/zinc/58/19/73/411581973.db2.gz UMFAANHCAJJETN-JTQLQIEISA-N 1 0 236.319 0.594 10 0 BCAERO Cc1cc(C[NH2+]C[C@H]2CC(=O)N(C)C2)nn1C ZINC000657697267 411582067 /nfs/dbraw/zinc/58/20/67/411582067.db2.gz RQQCEIQIVXSCOC-SNVBAGLBSA-N 1 0 236.319 0.296 10 0 BCAERO Cc1c(C[NH2+]C2CC(CO)C2)cnn1C ZINC000657811337 411602646 /nfs/dbraw/zinc/60/26/46/411602646.db2.gz VKGUMEJSUYRFOP-UHFFFAOYSA-N 1 0 209.293 0.589 10 0 BCAERO CCO[C@@H](C)C(=O)N1CCCC[C@H]1C[NH3+] ZINC000237023551 170471721 /nfs/dbraw/zinc/47/17/21/170471721.db2.gz AMZMOAWCRPDVIZ-UWVGGRQHSA-N 1 0 214.309 0.751 10 0 BCAERO CCO[C@@H]1C[C@@H]1C(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000247309210 170485280 /nfs/dbraw/zinc/48/52/80/170485280.db2.gz QQRMJHCYOLKYME-LPEHRKFASA-N 1 0 212.293 0.232 10 0 BCAERO CCO[C@@H]1C[C@@H]1C(=O)NCCCC[NH3+] ZINC000236853690 170486998 /nfs/dbraw/zinc/48/69/98/170486998.db2.gz OPCGPUGLFLHTRN-DTWKUNHWSA-N 1 0 200.282 0.267 10 0 BCAERO CCO[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000248838593 170487986 /nfs/dbraw/zinc/48/79/86/170487986.db2.gz FCEPUFMWDQVQRD-UKKRHICBSA-N 1 0 226.320 0.668 10 0 BCAERO COc1cc(OC)nc(N[C@@H](C)[C@@H](C)[NH3+])n1 ZINC000381629601 411708265 /nfs/dbraw/zinc/70/82/65/411708265.db2.gz UZVXSXKHFPKXPW-RQJHMYQMSA-N 1 0 226.280 0.641 10 0 BCAERO CCO[C@@H]1C[C@H]1C(=O)N(C)[C@H](C)C[NH3+] ZINC000247116582 170492565 /nfs/dbraw/zinc/49/25/65/170492565.db2.gz LZAHXKMKIZOQNI-IWSPIJDZSA-N 1 0 200.282 0.217 10 0 BCAERO CCO[C@H](C)C(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000248842269 170499957 /nfs/dbraw/zinc/49/99/57/170499957.db2.gz GLIKJRCVTOZXDN-IVZWLZJFSA-N 1 0 214.309 0.668 10 0 BCAERO CCOc1ccc(Cn2nnc(CC[NH3+])n2)cc1 ZINC000077417176 170548332 /nfs/dbraw/zinc/54/83/32/170548332.db2.gz NGPXIHCZRFBRJT-UHFFFAOYSA-N 1 0 247.302 0.621 10 0 BCAERO CCOc1ccc(NC[C@@H](O)C[NH3+])cc1 ZINC000032012402 170552487 /nfs/dbraw/zinc/55/24/87/170552487.db2.gz OWFGLSFQLVFSBY-JTQLQIEISA-N 1 0 210.277 0.817 10 0 BCAERO O[C@H]1C[NH2+]C[C@H]1CNc1ncnc2ccccc21 ZINC000643040302 411697529 /nfs/dbraw/zinc/69/75/29/411697529.db2.gz QSDLRPWIJUCUCC-CABZTGNLSA-N 1 0 244.298 0.622 10 0 BCAERO O[C@H]1C[NH2+]C[C@@H]1CNc1ccc(Cl)cn1 ZINC000420253288 411697704 /nfs/dbraw/zinc/69/77/04/411697704.db2.gz PLBBBTVEHQEARG-APPZFPTMSA-N 1 0 227.695 0.727 10 0 BCAERO c1cc2c(ncnc2NC[C@H]2CC[NH2+]C2)[nH]1 ZINC000643025344 411702447 /nfs/dbraw/zinc/70/24/47/411702447.db2.gz HZKQBTVQXRSQIH-QMMMGPOBSA-N 1 0 217.276 0.979 10 0 BCAERO Cc1cnc(NCCCN2CC[NH2+]CC2)nc1C ZINC000386630980 411734704 /nfs/dbraw/zinc/73/47/04/411734704.db2.gz GHHARCQZMIWFDQ-UHFFFAOYSA-N 1 0 249.362 0.801 10 0 BCAERO Cc1cnc(C)c(N[C@@H](CC[NH3+])C(F)F)n1 ZINC000383492749 411736168 /nfs/dbraw/zinc/73/61/68/411736168.db2.gz QNPWPQDSSDYPGV-QMMMGPOBSA-N 1 0 230.262 1.488 10 0 BCAERO CO[C@@]1(CO)CCC[N@H+](CC2(O)CCC2)C1 ZINC000661390447 411753799 /nfs/dbraw/zinc/75/37/99/411753799.db2.gz VFDMWAZRXDPZOB-LBPRGKRZSA-N 1 0 229.320 0.375 10 0 BCAERO CCc1cc(CC)nc(NCCC[NH3+])n1 ZINC000336671584 411759087 /nfs/dbraw/zinc/75/90/87/411759087.db2.gz GASLZYRSOWPEPJ-UHFFFAOYSA-N 1 0 208.309 1.362 10 0 BCAERO CCc1csc(NC[C@H]2C[NH2+]CCCO2)n1 ZINC000390210136 411783563 /nfs/dbraw/zinc/78/35/63/411783563.db2.gz LDPZUUWHQMOLNR-SNVBAGLBSA-N 1 0 241.360 1.496 10 0 BCAERO Cc1nccnc1N[C@H](CC[NH3+])C(F)F ZINC000383525790 411788776 /nfs/dbraw/zinc/78/87/76/411788776.db2.gz XFTANGWJLGPZFR-SSDOTTSWSA-N 1 0 216.235 1.179 10 0 BCAERO CCOc1nccnc1NC[C@@H]([NH3+])C(C)C ZINC000570786349 411719796 /nfs/dbraw/zinc/71/97/96/411719796.db2.gz RONCZYAPCRRMJT-SECBINFHSA-N 1 0 224.308 1.271 10 0 BCAERO CCOc1nccnc1N[C@H](C)[C@H](C)[NH3+] ZINC000643045973 411720188 /nfs/dbraw/zinc/72/01/88/411720188.db2.gz VGAZSTAGTUTNJN-JGVFFNPUSA-N 1 0 210.281 1.023 10 0 BCAERO CCc1nnc(C[NH2+][C@@H](CO)C2CCC2)n1C ZINC000661152596 411720902 /nfs/dbraw/zinc/72/09/02/411720902.db2.gz ATVZUYLSMUYPJH-JTQLQIEISA-N 1 0 238.335 0.628 10 0 BCAERO Cc1nnc(NCCOCCC[NH3+])s1 ZINC000630534624 411797317 /nfs/dbraw/zinc/79/73/17/411797317.db2.gz NTLDWRQKMFJLNS-UHFFFAOYSA-N 1 0 216.310 0.624 10 0 BCAERO Cc1nnc2c(N[C@H]3CC[C@H](C)[NH2+]C3)nccn12 ZINC000630534569 411804098 /nfs/dbraw/zinc/80/40/98/411804098.db2.gz YBHPVVCNDUOCTJ-WPRPVWTQSA-N 1 0 246.318 0.985 10 0 BCAERO CC(C)[N@@H+]1CCOC[C@@H](c2c[nH]nc2N)C1 ZINC000616659990 411865623 /nfs/dbraw/zinc/86/56/23/411865623.db2.gz IBMJQSQNGIKYJC-VIFPVBQESA-N 1 0 224.308 0.816 10 0 BCAERO C[C@@H]([NH3+])CNc1ccc(Br)nn1 ZINC000575586234 411817052 /nfs/dbraw/zinc/81/70/52/411817052.db2.gz ALBODHDEXBBMFB-RXMQYKEDSA-N 1 0 231.097 0.998 10 0 BCAERO Nc1cc(C2CC[NH+](CCO)CC2)ccn1 ZINC000616619555 411941820 /nfs/dbraw/zinc/94/18/20/411941820.db2.gz NVPWRIQPDHEMKF-UHFFFAOYSA-N 1 0 221.304 0.836 10 0 BCAERO CCc1cc(C(=O)NC[C@@H]2CC[NH2+]C2)n(C)n1 ZINC000133656228 411887926 /nfs/dbraw/zinc/88/79/26/411887926.db2.gz JWSKAQPUVSTVCZ-SECBINFHSA-N 1 0 236.319 0.322 10 0 BCAERO OCCOC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000133697324 411908202 /nfs/dbraw/zinc/90/82/02/411908202.db2.gz CRMRSKYHJNPGGW-VXGBXAGGSA-N 1 0 229.320 0.373 10 0 BCAERO CC[C@@H](C)[C@H]([NH3+])C(=O)Nc1cnccn1 ZINC000040487169 170795416 /nfs/dbraw/zinc/79/54/16/170795416.db2.gz KYLGFRFKCBOTLV-APPZFPTMSA-N 1 0 208.265 0.789 10 0 BCAERO CC(C)[C@H](C)[N@@H+]1CCC(CO)(CO)C1 ZINC000661954603 411917759 /nfs/dbraw/zinc/91/77/59/411917759.db2.gz XUWHEWQFGZEYOE-JTQLQIEISA-N 1 0 201.310 0.708 10 0 BCAERO C[C@H]1C[C@H](O)C[N@H+](Cc2ccnc(N)c2)C1 ZINC000401925478 411933151 /nfs/dbraw/zinc/93/31/51/411933151.db2.gz YVRMXPXRNYYSRM-ONGXEEELSA-N 1 0 221.304 0.867 10 0 BCAERO CC(C)[N@@H+]1CCN[C@@H](c2cc(N)n[nH]2)C1 ZINC000616631971 411871571 /nfs/dbraw/zinc/87/15/71/411871571.db2.gz JBVTUSABQMIUMR-SECBINFHSA-N 1 0 209.297 0.347 10 0 BCAERO CC[C@@H](COC)[NH2+][C@H]1CCc2ncnn2C1 ZINC000118972407 170849979 /nfs/dbraw/zinc/84/99/79/170849979.db2.gz AMHYFHQBGYTGJX-UWVGGRQHSA-N 1 0 224.308 0.608 10 0 BCAERO CC[C@@H]([NH3+])Cc1noc([C@@H]2COCCO2)n1 ZINC000055305682 170866557 /nfs/dbraw/zinc/86/65/57/170866557.db2.gz GAXUCDBHLBIKFZ-SFYZADRCSA-N 1 0 227.264 0.437 10 0 BCAERO Nc1[nH+]ccn1-c1ncc(Br)cn1 ZINC000575566287 411972067 /nfs/dbraw/zinc/97/20/67/411972067.db2.gz SRTAHJAILGAHEX-UHFFFAOYSA-N 1 0 240.064 1.007 10 0 BCAERO Nc1cc([C@@H]2CCCCCN2CC[NH3+])[nH]n1 ZINC000616625903 411977162 /nfs/dbraw/zinc/97/71/62/411977162.db2.gz XJCCYBXHNFGBKS-JTQLQIEISA-N 1 0 223.324 0.868 10 0 BCAERO Nc1n[nH]cc1C1CC[NH+](CCO)CC1 ZINC000616620355 411980767 /nfs/dbraw/zinc/98/07/67/411980767.db2.gz WXICFPJAVQJYCT-UHFFFAOYSA-N 1 0 210.281 0.164 10 0 BCAERO Nc1n[nH]cc1[C@@H]1CCCC[N@@H+]1CCO ZINC000616615783 411986415 /nfs/dbraw/zinc/98/64/15/411986415.db2.gz BDFVXGOOTSUJFH-VIFPVBQESA-N 1 0 210.281 0.511 10 0 BCAERO Nc1n[nH]cc1[C@H]1CCC[N@H+](CCO)C1 ZINC000616617863 411987113 /nfs/dbraw/zinc/98/71/13/411987113.db2.gz LPVCFHZLHJKOLM-QMMMGPOBSA-N 1 0 210.281 0.164 10 0 BCAERO Cc1noc2ncnc(NC[C@H]3CC[NH2+]C3)c12 ZINC000133779997 411946755 /nfs/dbraw/zinc/94/67/55/411946755.db2.gz RORXCDDKPBCOBX-QMMMGPOBSA-N 1 0 233.275 0.948 10 0 BCAERO Nc1cc([C@H]2CCC[N@@H+]2CCO)ccn1 ZINC000616608540 411948434 /nfs/dbraw/zinc/94/84/34/411948434.db2.gz VEVCLEWAFARCPK-SNVBAGLBSA-N 1 0 207.277 0.793 10 0 BCAERO Nc1ccc([C@H]2CCC[N@@H+]2CCO)cn1 ZINC000616608531 411960030 /nfs/dbraw/zinc/96/00/30/411960030.db2.gz VARMWHDKXISDOW-SNVBAGLBSA-N 1 0 207.277 0.793 10 0 BCAERO Nc1ccc([C@@H]2CC[N@H+](CCO)C2)cn1 ZINC000616614360 411960265 /nfs/dbraw/zinc/96/02/65/411960265.db2.gz KUKOTERLUWDZFP-SNVBAGLBSA-N 1 0 207.277 0.445 10 0 BCAERO CC[C@@H]1CN(C(=O)[C@H]2CCC[C@H]2[NH3+])CCO1 ZINC000247074214 171068918 /nfs/dbraw/zinc/06/89/18/171068918.db2.gz YSNGJHAMRQZGSS-OUAUKWLOSA-N 1 0 226.320 0.751 10 0 BCAERO CC[C@@H]1CN(C(=O)[C@H]2CCC[NH2+]C2)CCO1 ZINC000036770038 171069008 /nfs/dbraw/zinc/06/90/08/171069008.db2.gz XLDHTZNODGJRSH-WDEREUQCSA-N 1 0 226.320 0.623 10 0 BCAERO CC[C@@H]1CN(C(=O)c2ccc(C[NH3+])cc2)C[C@H]1O ZINC000262254803 171070834 /nfs/dbraw/zinc/07/08/34/171070834.db2.gz CPHVYZCMMZUPPH-DGCLKSJQSA-N 1 0 248.326 0.988 10 0 BCAERO CC[C@@H]1CN(CC(=O)OC)CC[N@@H+]1CCOC ZINC000105914664 171075321 /nfs/dbraw/zinc/07/53/21/171075321.db2.gz BOCLGPFJYYVUIV-LLVKDONJSA-N 1 0 244.335 0.202 10 0 BCAERO CC[C@@H]1C[N@H+](CCCCO)CCN1CCOC ZINC000105914391 171079208 /nfs/dbraw/zinc/07/92/08/171079208.db2.gz HKMXLTFLTOZAPV-CYBMUJFWSA-N 1 0 244.379 0.802 10 0 BCAERO CC[C@@H]1CN([C@@H]2CCS(=O)(=O)C2)[C@H](C)C[NH2+]1 ZINC000083088158 171095596 /nfs/dbraw/zinc/09/55/96/171095596.db2.gz YOMIPYDOPXSLLE-GMTAPVOTSA-N 1 0 246.376 0.246 10 0 BCAERO CC[C@@H]1COCCN1C(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000094565534 171104443 /nfs/dbraw/zinc/10/44/43/171104443.db2.gz UHGAEHVTVSKERR-MXWKQRLJSA-N 1 0 242.319 0.130 10 0 BCAERO CC[C@@H]1CSC(N[C@H](C)C(=O)NC)=N1 ZINC000042572469 171113413 /nfs/dbraw/zinc/11/34/13/171113413.db2.gz PXLUFCSRLVLHIV-RNFRBKRXSA-N 1 0 215.322 0.592 10 0 BCAERO CC[C@@H]1NCCN(CCC[NH+]2CCCC2)C1=O ZINC000104134530 171146649 /nfs/dbraw/zinc/14/66/49/171146649.db2.gz HMPKRDTVBQYLOP-LBPRGKRZSA-N 1 0 239.363 0.683 10 0 BCAERO CN(CCCC1CCC1)[C@H]1C[NH2+]C[C@@H]1O ZINC000662277064 412069641 /nfs/dbraw/zinc/06/96/41/412069641.db2.gz QLPGVMGFHDUCRF-RYUDHWBXSA-N 1 0 212.337 0.831 10 0 BCAERO Cc1nc(CN2CCO[C@@H]3C[NH2+]C[C@@H]32)co1 ZINC000662280406 412070910 /nfs/dbraw/zinc/07/09/10/412070910.db2.gz DFOGXTQAEZPTBU-WDEREUQCSA-N 1 0 223.276 0.156 10 0 BCAERO CC[C@@](C)(O)C[NH+]1CCC(CO)CC1 ZINC000119397021 171178236 /nfs/dbraw/zinc/17/82/36/171178236.db2.gz FXHZZOAKPZROAO-LLVKDONJSA-N 1 0 201.310 0.852 10 0 BCAERO CC[C@@](C)(O)C[NH+]1CCN(C2CC2)CC1 ZINC000119412217 171178413 /nfs/dbraw/zinc/17/84/13/171178413.db2.gz LWPWGLPUOYKPOW-GFCCVEGCSA-N 1 0 212.337 0.927 10 0 BCAERO CC[C@@]1(C(=O)NCc2c[nH]nc2C)CC[NH2+]C1 ZINC000062896681 171195931 /nfs/dbraw/zinc/19/59/31/171195931.db2.gz XGYNKRSVXJNJAG-GFCCVEGCSA-N 1 0 236.319 0.724 10 0 BCAERO CC[C@@]1(C)NC(=O)N(C[C@H]2CC[NH2+]C2)C1=O ZINC000051890254 171209865 /nfs/dbraw/zinc/20/98/65/171209865.db2.gz SCDVPUBQWFBUBR-GZMMTYOYSA-N 1 0 225.292 0.316 10 0 BCAERO CC[C@]1(c2ccccc2)C(=[NH2+])NC(N)=NC1=O ZINC000082296907 171215910 /nfs/dbraw/zinc/21/59/10/171215910.db2.gz ZKPNDYQXPJGNCR-LBPRGKRZSA-N 1 0 230.271 0.547 10 0 BCAERO CC[C@H](C(=O)OC)N1C[C@@H](C)[C@@H]([NH+](C)C)C1 ZINC000358815836 171241566 /nfs/dbraw/zinc/24/15/66/171241566.db2.gz JREIVKDMEHWUKG-MXWKQRLJSA-N 1 0 228.336 0.820 10 0 BCAERO CC[C@H](C)C(=O)N1CCCN(CC[NH3+])CC1 ZINC000037038358 171247962 /nfs/dbraw/zinc/24/79/62/171247962.db2.gz WZQUENHYHDABEI-NSHDSACASA-N 1 0 227.352 0.526 10 0 BCAERO Cc1nnsc1CN1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000662283063 412074513 /nfs/dbraw/zinc/07/45/13/412074513.db2.gz KDNYIEBKZMMZOQ-DTWKUNHWSA-N 1 0 240.332 0.019 10 0 BCAERO CC[C@H](C)C[NH2+][C@H]1COC[C@H]1n1ccnn1 ZINC000344507307 171287862 /nfs/dbraw/zinc/28/78/62/171287862.db2.gz YIBFIPKIDKMMPO-GARJFASQSA-N 1 0 224.308 0.854 10 0 BCAERO CCn1c(C)nnc1CN(C)CC(C)(C)[NH3+] ZINC000662292736 412082787 /nfs/dbraw/zinc/08/27/87/412082787.db2.gz KNZIKBQWSSBDBE-UHFFFAOYSA-N 1 0 225.340 0.776 10 0 BCAERO CC[C@H](C)N(C)C(=O)CN1CCC[NH2+]CC1 ZINC000061269465 171301820 /nfs/dbraw/zinc/30/18/20/171301820.db2.gz NUIQVAHYERQTSW-NSHDSACASA-N 1 0 227.352 0.539 10 0 BCAERO CC[C@H](C)N(CCOC)C(=O)N1CC[NH2+]CC1 ZINC000042580606 171315298 /nfs/dbraw/zinc/31/52/98/171315298.db2.gz OEPVFNUPDMXXRF-NSHDSACASA-N 1 0 243.351 0.759 10 0 BCAERO CC[C@H](C)NC(=O)CC[NH2+]CCC(=O)OC ZINC000038014488 171322620 /nfs/dbraw/zinc/32/26/20/171322620.db2.gz PQGSOIPGQKOVPC-VIFPVBQESA-N 1 0 230.308 0.444 10 0 BCAERO CC[C@H](C)NC(=O)CC[NH2+][C@H](C)CC(=O)OC ZINC000038014526 171322653 /nfs/dbraw/zinc/32/26/53/171322653.db2.gz XGZMAHBZFICKNZ-VHSXEESVSA-N 1 0 244.335 0.832 10 0 BCAERO CC[C@H](C)NC(=O)CC[NH2+]CCOC ZINC000038014718 171322695 /nfs/dbraw/zinc/32/26/95/171322695.db2.gz UUAXJEWHOMMZTB-VIFPVBQESA-N 1 0 202.298 0.527 10 0 BCAERO CC[C@H](C)NC(=O)CC[NH2+]C[C@@H]1CCOC1 ZINC000038013794 171322803 /nfs/dbraw/zinc/32/28/03/171322803.db2.gz QFCRXHQNAYRHBW-QWRGUYRKSA-N 1 0 228.336 0.917 10 0 BCAERO CC[C@H](C)NC(=O)CN1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000233983694 171324461 /nfs/dbraw/zinc/32/44/61/171324461.db2.gz VIYOUSAVWKCZBT-UTLUCORTSA-N 1 0 213.325 0.180 10 0 BCAERO CC[C@H](C)NC(=O)[C@@H](C)[NH2+]CC(=O)NC(C)C ZINC000035207156 171332722 /nfs/dbraw/zinc/33/27/22/171332722.db2.gz IYDHPHAGFOHEJG-VHSXEESVSA-N 1 0 243.351 0.404 10 0 BCAERO CC[C@H](C)[NH2+]CC(=O)N1CCC[C@H](O)C1 ZINC000037654911 171339884 /nfs/dbraw/zinc/33/98/84/171339884.db2.gz DKHNJYSRYUTKCP-UWVGGRQHSA-N 1 0 214.309 0.358 10 0 BCAERO CC[C@H](C)[NH2+][C@@H](C)C(=O)NCCOC ZINC000034937506 171345358 /nfs/dbraw/zinc/34/53/58/171345358.db2.gz SGABZUKSSVNNIR-IUCAKERBSA-N 1 0 202.298 0.526 10 0 BCAERO CC[C@H](C)[C@@H](C(=O)[O-])[N@@H+]1CCC[NH2+]CC1 ZINC000041050278 171357676 /nfs/dbraw/zinc/35/76/76/171357676.db2.gz FGBLOCYIIOSYPT-UWVGGRQHSA-N 1 0 214.309 0.781 10 0 BCAERO CC[C@H](CCO)NC(=O)[C@H]([NH3+])[C@@H](C)CC ZINC000245977515 171370676 /nfs/dbraw/zinc/37/06/76/171370676.db2.gz OWQLVYIBSZWXLE-IVZWLZJFSA-N 1 0 216.325 0.637 10 0 BCAERO CC[C@H](C)[C@@H]([NH3+])C(=O)NCc1csc(=O)[nH]1 ZINC000226684610 171371635 /nfs/dbraw/zinc/37/16/35/171371635.db2.gz RCVINRKQYZCAHT-POYBYMJQSA-N 1 0 243.332 0.426 10 0 BCAERO CC[C@H](C)[C@H]([NH3+])C(=O)N1CCN(C)[C@H](CC)C1 ZINC000104140183 171394517 /nfs/dbraw/zinc/39/45/17/171394517.db2.gz MWBOMKYVSLPQHK-TUAOUCFPSA-N 1 0 241.379 0.912 10 0 BCAERO O=C(NC1CCCC1)[C@]1(O)CCC[NH2+]C1 ZINC000220179014 412097892 /nfs/dbraw/zinc/09/78/92/412097892.db2.gz DMNPDOZXZFEQPO-NSHDSACASA-N 1 0 212.293 0.160 10 0 BCAERO CC[C@H]([NH2+]C)C(=O)N1CCS[C@@H](C)C1 ZINC000662444588 412177607 /nfs/dbraw/zinc/17/76/07/412177607.db2.gz IYABIIGCUXUENB-IUCAKERBSA-N 1 0 216.350 0.948 10 0 BCAERO CC[C@@H](O)CCNC(=O)C[C@@H]([NH3+])C(C)C ZINC000218845229 412192898 /nfs/dbraw/zinc/19/28/98/412192898.db2.gz FBENICKGWCYDMA-NXEZZACHSA-N 1 0 216.325 0.637 10 0 BCAERO [NH3+][C@H]1C[C@H](C(=O)N[C@H]2CCC[C@H](O)C2)C1 ZINC000662495501 412195112 /nfs/dbraw/zinc/19/51/12/412195112.db2.gz MELOCFHBQVASIY-XKNYDFJKSA-N 1 0 212.293 0.143 10 0 BCAERO C[C@H](NC(=O)[C@H]1C[C@H]([NH3+])C1)[C@@H]1CCCO1 ZINC000662495431 412195633 /nfs/dbraw/zinc/19/56/33/412195633.db2.gz RUQHIBHQXDSLHS-XKNYDFJKSA-N 1 0 212.293 0.407 10 0 BCAERO C[NH+](C)[C@@H]1CCN(C(=O)c2ncccc2N)C1 ZINC000132687990 412197689 /nfs/dbraw/zinc/19/76/89/412197689.db2.gz YATPKNCZCCBMIJ-SECBINFHSA-N 1 0 234.303 0.440 10 0 BCAERO [NH3+][C@H]1C[C@H](C(=O)N2CCO[C@@H]3CCCC[C@H]32)C1 ZINC000662508299 412199212 /nfs/dbraw/zinc/19/92/12/412199212.db2.gz YHLXAXVDLJFDOB-DDHJBXDOSA-N 1 0 238.331 0.894 10 0 BCAERO CC[C@H]([NH2+]C)C(=O)N[C@@H]1CCO[C@@H]1C ZINC000662510045 412200111 /nfs/dbraw/zinc/20/01/11/412200111.db2.gz BUIJEWPZNXQTHK-HRDYMLBCSA-N 1 0 200.282 0.278 10 0 BCAERO C[C@H]1OCC[C@@H]1NC(=O)C[C@H]1CC[NH2+]C1 ZINC000662510461 412200114 /nfs/dbraw/zinc/20/01/14/412200114.db2.gz DFBUBLRKTHFMSG-BBBLOLIVSA-N 1 0 212.293 0.280 10 0 BCAERO C[C@H](C[C@H](C)[NH3+])Nc1ccc2nncn2n1 ZINC000574989106 412211847 /nfs/dbraw/zinc/21/18/47/412211847.db2.gz FEYXJEDCQPIYQT-JGVFFNPUSA-N 1 0 220.280 0.662 10 0 BCAERO CC[C@H]([NH2+]C[C@@H]1CCO[C@H]1C(C)C)C(N)=O ZINC000310031999 171525725 /nfs/dbraw/zinc/52/57/25/171525725.db2.gz RITNWZRYPARBIO-DCAQKATOSA-N 1 0 228.336 0.901 10 0 BCAERO OC[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)C1CCC1 ZINC000665235737 412173549 /nfs/dbraw/zinc/17/35/49/412173549.db2.gz ZDFCPDVCGKFBAL-NWDGAFQWSA-N 1 0 212.337 0.879 10 0 BCAERO C[NH2+][C@H](C)C(=O)N(C)CC1=CCCOC1 ZINC000662661425 412261162 /nfs/dbraw/zinc/26/11/62/412261162.db2.gz CBZAFVFVTMNFCK-SECBINFHSA-N 1 0 212.293 0.399 10 0 BCAERO C[C@H]1CC[C@H](Nc2nccn(C)c2=O)C[NH2+]1 ZINC000630533869 412261815 /nfs/dbraw/zinc/26/18/15/412261815.db2.gz GKJZGXMOZQBVLS-IUCAKERBSA-N 1 0 222.292 0.333 10 0 BCAERO C[C@@H]1CCC[C@H](CNC(=O)[C@H]2C[C@H](F)C[NH2+]2)O1 ZINC000662666723 412264831 /nfs/dbraw/zinc/26/48/31/412264831.db2.gz OVEJMNPQIINBSX-LMLFDSFASA-N 1 0 244.310 0.760 10 0 BCAERO COC[C@@H]([NH3+])C(=O)NCCCC1CCC1 ZINC000662666800 412265403 /nfs/dbraw/zinc/26/54/03/412265403.db2.gz SSCYGOVKIZMDRJ-SNVBAGLBSA-N 1 0 214.309 0.657 10 0 BCAERO CC[C@H](O)C[NH2+][C@@H]1CCC(=O)N[C@@H]1C ZINC000336664595 171576273 /nfs/dbraw/zinc/57/62/73/171576273.db2.gz UUHVWTJUMCBDCR-HRDYMLBCSA-N 1 0 200.282 0.014 10 0 BCAERO C[C@H]1NC(=O)CC[C@@H]1Nc1ccnc(N(C)C)n1 ZINC000392939876 412272942 /nfs/dbraw/zinc/27/29/42/412272942.db2.gz OPDJYDONEIDOLN-BDAKNGLRSA-N 1 0 249.318 0.622 10 0 BCAERO N#Cc1ccc(N[C@H](C[NH3+])C2CCCC2)nn1 ZINC000396959572 412273796 /nfs/dbraw/zinc/27/37/96/412273796.db2.gz FJKKVZWKNNBEGD-LLVKDONJSA-N 1 0 231.303 1.278 10 0 BCAERO C[NH2+][C@H](C)C(=O)N1CC[C@H]2COC[C@H]2C1 ZINC000662710390 412278094 /nfs/dbraw/zinc/27/80/94/412278094.db2.gz IETUGABTOLUWGA-KXUCPTDWSA-N 1 0 212.293 0.089 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC[C@H]2COC[C@@H]2C1 ZINC000662711805 412280400 /nfs/dbraw/zinc/28/04/00/412280400.db2.gz PAIBMZQHGWNSTK-NOOOWODRSA-N 1 0 238.331 0.337 10 0 BCAERO C[C@@H]1CN(C(=O)[C@H]2C[C@H]3C[C@H]3C2)C[C@@H]1[NH3+] ZINC000662574246 412226097 /nfs/dbraw/zinc/22/60/97/412226097.db2.gz YCNPQLHGXQLEET-UVOCVTCTSA-N 1 0 208.305 0.838 10 0 BCAERO [NH3+][C@H]1C[C@H](C(=O)NC[C@@H]2CCCC[C@H]2O)C1 ZINC000662614926 412241678 /nfs/dbraw/zinc/24/16/78/412241678.db2.gz CCCWCBDDTIXUTB-XWLWVQCSSA-N 1 0 226.320 0.391 10 0 BCAERO [NH3+][C@H]1C[C@H](C(=O)NC[C@H]2CCCC[C@@H]2O)C1 ZINC000662614923 412242007 /nfs/dbraw/zinc/24/20/07/412242007.db2.gz CCCWCBDDTIXUTB-DBIOUOCHSA-N 1 0 226.320 0.391 10 0 BCAERO CCC(C)(C)[C@@H](C)NC(=O)[C@H]([NH3+])COC ZINC000662626409 412247473 /nfs/dbraw/zinc/24/74/73/412247473.db2.gz NKHYJWMGKXLRAP-RKDXNWHRSA-N 1 0 216.325 0.901 10 0 BCAERO C[C@@H]1CN(C(=O)c2ncccc2N)C[C@H]1[NH+](C)C ZINC000132821440 412306320 /nfs/dbraw/zinc/30/63/20/412306320.db2.gz JCQKYVKBDSQHMQ-MWLCHTKSSA-N 1 0 248.330 0.686 10 0 BCAERO CC(C)[C@@H]([NH3+])CNc1ccc(C#N)nn1 ZINC000396994369 412310659 /nfs/dbraw/zinc/31/06/59/412310659.db2.gz DGNUJMCBAFXPBL-VIFPVBQESA-N 1 0 205.265 0.743 10 0 BCAERO CC[C@H](C)N(CC)C(=O)[C@H]1C[NH2+]CCOC1 ZINC000662839526 412316684 /nfs/dbraw/zinc/31/66/84/412316684.db2.gz TVIFWAFTQSQFEC-QWRGUYRKSA-N 1 0 228.336 0.869 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N[C@@H](CO)C1CCC1 ZINC000662848964 412322135 /nfs/dbraw/zinc/32/21/35/412322135.db2.gz IXZXHLRHJKJRHE-UWVGGRQHSA-N 1 0 214.309 0.391 10 0 BCAERO CC[C@H]1CSC(NC[C@H]2COCCO2)=[NH+]1 ZINC000038062796 171675213 /nfs/dbraw/zinc/67/52/13/171675213.db2.gz CKWZIHKCWJKSOP-IUCAKERBSA-N 1 0 230.333 0.873 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)NC/C=C\CO ZINC000662856047 412325223 /nfs/dbraw/zinc/32/52/23/412325223.db2.gz MFKJHSZSMDKAEF-SLHCBHIOSA-N 1 0 212.293 0.026 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)NC/C=C/CO ZINC000662856048 412325227 /nfs/dbraw/zinc/32/52/27/412325227.db2.gz MFKJHSZSMDKAEF-SPMHKISASA-N 1 0 212.293 0.026 10 0 BCAERO CC[C@@H](C)CCNC(=O)[C@@H]1C[NH2+]CCOC1 ZINC000662855165 412325322 /nfs/dbraw/zinc/32/53/22/412325322.db2.gz RSDHZPNSTOPLAN-GHMZBOCLSA-N 1 0 228.336 0.775 10 0 BCAERO CC[C@@H](C)CCNC(=O)[C@H]1C[NH2+]CCOC1 ZINC000662855167 412325433 /nfs/dbraw/zinc/32/54/33/412325433.db2.gz RSDHZPNSTOPLAN-MNOVXSKESA-N 1 0 228.336 0.775 10 0 BCAERO CC(C)[C@@H]([NH3+])CC(=O)NC/C=C\CO ZINC000662858880 412326810 /nfs/dbraw/zinc/32/68/10/412326810.db2.gz JHFULXSWXJCZLQ-TYRPZCRBSA-N 1 0 200.282 0.025 10 0 BCAERO [NH3+][C@H]1CC[C@@H](C(=O)NCCOCCF)C1 ZINC000663002041 412366937 /nfs/dbraw/zinc/36/69/37/412366937.db2.gz AVRLOPCKANRRFU-BDAKNGLRSA-N 1 0 218.272 0.216 10 0 BCAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NC/C=C\CO ZINC000662860893 412328556 /nfs/dbraw/zinc/32/85/56/412328556.db2.gz VDVUBOFKFPPBEG-ADLDAWLNSA-N 1 0 212.293 0.039 10 0 BCAERO O=C(NCCCC1CCC1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000662874966 412332382 /nfs/dbraw/zinc/33/23/82/412332382.db2.gz LWBJIBHUIOJYSC-GHMZBOCLSA-N 1 0 226.320 0.406 10 0 BCAERO CC(F)(F)CNC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000662897095 412336131 /nfs/dbraw/zinc/33/61/31/412336131.db2.gz CPXKNUAMZFGPID-BQBZGAKWSA-N 1 0 206.236 0.885 10 0 BCAERO O=C(NC1CC2(CCC2)C1)[C@@H]1C[NH2+]CCOC1 ZINC000662906764 412341458 /nfs/dbraw/zinc/34/14/58/412341458.db2.gz QMSCOCWPRIFINF-SNVBAGLBSA-N 1 0 238.331 0.671 10 0 BCAERO COC(=O)c1ccc(N[C@@H](C)CCC[NH3+])nn1 ZINC000336727079 412343674 /nfs/dbraw/zinc/34/36/74/412343674.db2.gz VXMBSKLIZTVSQU-QMMMGPOBSA-N 1 0 238.291 0.803 10 0 BCAERO [NH3+]CC1(C(=O)N2CC[C@@H]3C[C@@H]3C2)CCOCC1 ZINC000662912513 412343961 /nfs/dbraw/zinc/34/39/61/412343961.db2.gz GWGJATSGDWJPPN-GHMZBOCLSA-N 1 0 238.331 0.610 10 0 BCAERO O=C(NCC1=CCCC1)[C@H]1C[NH2+]CCOC1 ZINC000662916512 412344783 /nfs/dbraw/zinc/34/47/83/412344783.db2.gz VEHVRXIRPLJQNU-NSHDSACASA-N 1 0 224.304 0.449 10 0 BCAERO CC(C)CC1(NC(=O)[C@H]2C[NH2+]CCOC2)CC1 ZINC000662924995 412346890 /nfs/dbraw/zinc/34/68/90/412346890.db2.gz CWOPNNYAHDAAHZ-NSHDSACASA-N 1 0 240.347 0.917 10 0 BCAERO COc1ccnc(N2CCO[C@H]([C@@H](C)[NH3+])C2)n1 ZINC000132902863 412348637 /nfs/dbraw/zinc/34/86/37/412348637.db2.gz BXMGEJZMPRIQEC-BDAKNGLRSA-N 1 0 238.291 0.038 10 0 BCAERO COC(=O)c1nc(N[C@H]2CC[NH2+]C2)sc1C ZINC000420148245 412351579 /nfs/dbraw/zinc/35/15/79/412351579.db2.gz FILWZOSEEWPOAA-ZETCQYMHSA-N 1 0 241.316 1.012 10 0 BCAERO Cc1cnc(C)c(N2CCO[C@H]([C@@H](C)[NH3+])C2)n1 ZINC000132911620 412352541 /nfs/dbraw/zinc/35/25/41/412352541.db2.gz WUPYADLTPXCGQQ-KOLCDFICSA-N 1 0 236.319 0.646 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)Nc1nn(C)cc1C ZINC000662969937 412360814 /nfs/dbraw/zinc/36/08/14/412360814.db2.gz BHNIMXMIIUUIGD-MRVPVSSYSA-N 1 0 210.281 0.794 10 0 BCAERO CN(C(=O)c1ccon1)[C@H](C[NH3+])C(F)(F)F ZINC000662975485 412361815 /nfs/dbraw/zinc/36/18/15/412361815.db2.gz HYFCBEFSEGZTPW-ZCFIWIBFSA-N 1 0 237.181 0.636 10 0 BCAERO C[NH2+]CCOCCNc1ncc(C)cn1 ZINC000630527512 412291957 /nfs/dbraw/zinc/29/19/57/412291957.db2.gz ODFZVOPOLGZKRN-UHFFFAOYSA-N 1 0 210.281 0.433 10 0 BCAERO [NH3+]CCN1CCCC[C@@H](Nc2cc[nH]n2)C1 ZINC000616630869 412299360 /nfs/dbraw/zinc/29/93/60/412299360.db2.gz VPVPVISZMWUTCS-SNVBAGLBSA-N 1 0 223.324 0.635 10 0 BCAERO CCc1c(C)ncnc1N1CC[C@@H]([NH3+])C1 ZINC000045954463 171741945 /nfs/dbraw/zinc/74/19/45/171741945.db2.gz KNUHSIDUBHYYKF-SECBINFHSA-N 1 0 206.293 0.885 10 0 BCAERO COC[C@@H]([NH3+])C(=O)NC[C@H](C)C1CC1 ZINC000132987246 412384482 /nfs/dbraw/zinc/38/44/82/412384482.db2.gz ZNLJOACMURMSNX-IONNQARKSA-N 1 0 200.282 0.122 10 0 BCAERO C[NH2+]C[C@H](C)Nc1ccc2nncn2n1 ZINC000663278437 412407413 /nfs/dbraw/zinc/40/74/13/412407413.db2.gz IKGXCGSKMKFQLM-ZETCQYMHSA-N 1 0 206.253 0.144 10 0 BCAERO C[NH2+]C[C@H](C)Nc1ccnc(N(C)C)n1 ZINC000663278386 412407695 /nfs/dbraw/zinc/40/76/95/412407695.db2.gz HNLGCJVZEHVADZ-QMMMGPOBSA-N 1 0 209.297 0.562 10 0 BCAERO CCc1nc2ccccc2n1C[C@H]([NH3+])C(N)=O ZINC000062808057 172014368 /nfs/dbraw/zinc/01/43/68/172014368.db2.gz AKQSGVBAAIIPJM-QMMMGPOBSA-N 1 0 232.287 0.411 10 0 BCAERO CCc1ncnc(N2CC[C@H](C[NH3+])C2)c1F ZINC000234181424 172030867 /nfs/dbraw/zinc/03/08/67/172030867.db2.gz XAJTULFOMRGFMX-MRVPVSSYSA-N 1 0 224.283 0.963 10 0 BCAERO CCc1nn(C)cc1[C@@H]1[C@H](C[NH3+])CC[N@@H+]1C ZINC000083040061 172044281 /nfs/dbraw/zinc/04/42/81/172044281.db2.gz JWTQRFVPBQQKOK-CABZTGNLSA-N 1 0 222.336 0.934 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)N[C@H](CCO)C(C)C ZINC000225810857 487623931 /nfs/dbraw/zinc/62/39/31/487623931.db2.gz LUKJVORQTCCTQA-GHMZBOCLSA-N 1 0 230.352 0.883 10 0 BCAERO CCc1nsc(N(C)[C@H](C)C[NH3+])n1 ZINC000125475166 172102932 /nfs/dbraw/zinc/10/29/32/172102932.db2.gz TYLZUPJKLFUXTB-ZCFIWIBFSA-N 1 0 200.311 0.884 10 0 BCAERO CCn1c(=O)[nH]nc1S[C@@H]1CCC[NH2+]C1 ZINC000061606978 172147622 /nfs/dbraw/zinc/14/76/22/172147622.db2.gz NUNVUNPASIZXGC-SSDOTTSWSA-N 1 0 228.321 0.435 10 0 BCAERO CCn1c(=O)[nH]nc1SC[C@@H]1CCC[NH2+]1 ZINC000061606959 172147984 /nfs/dbraw/zinc/14/79/84/172147984.db2.gz JAQUIQJAFMYEDC-ZETCQYMHSA-N 1 0 228.321 0.435 10 0 BCAERO CCn1c(=O)[nH]nc1SC[C@@H]1CC[NH2+]C1 ZINC000061606956 172148017 /nfs/dbraw/zinc/14/80/17/172148017.db2.gz FPSJMXHJYGYUFY-SSDOTTSWSA-N 1 0 228.321 0.293 10 0 BCAERO CCn1cc(-c2nn(C)cc2C[NH3+])cn1 ZINC000082644671 172150057 /nfs/dbraw/zinc/15/00/57/172150057.db2.gz IVQPUBRDAHFHIQ-UHFFFAOYSA-N 1 0 205.265 0.762 10 0 BCAERO CCn1cc(CN2C[C@H]([NH3+])[C@@H](C)C2)cn1 ZINC000234207652 172167633 /nfs/dbraw/zinc/16/76/33/172167633.db2.gz GHZJTRQZGWMFEO-ONGXEEELSA-N 1 0 208.309 0.682 10 0 BCAERO CCn1cc(NC(=O)C(C)(C)[NH2+]C)cn1 ZINC000061300466 172177856 /nfs/dbraw/zinc/17/78/56/172177856.db2.gz GKVCVLMSYKWNNK-UHFFFAOYSA-N 1 0 210.281 0.840 10 0 BCAERO CCn1cc(NC(=O)[C@@](C)([NH3+])C2CC2)cn1 ZINC000037479009 172182347 /nfs/dbraw/zinc/18/23/47/172182347.db2.gz YMZATYJHQGNXDU-NSHDSACASA-N 1 0 222.292 0.969 10 0 BCAERO CCn1cccc1C(=O)N1CC[C@@H]([NH3+])C1 ZINC000050228128 172202343 /nfs/dbraw/zinc/20/23/43/172202343.db2.gz DAFIHBSCCMIJOA-SECBINFHSA-N 1 0 207.277 0.681 10 0 BCAERO CCn1ccnc(N[C@H]2CCC[NH2+][C@@H]2C)c1=O ZINC000229604946 172212470 /nfs/dbraw/zinc/21/24/70/172212470.db2.gz XIXCXVBNURVBNG-ZJUUUORDSA-N 1 0 236.319 0.816 10 0 BCAERO C[NH2+][C@@H](C)C(=O)NC[C@@H]1CCCC[C@H]1O ZINC000309036191 487624508 /nfs/dbraw/zinc/62/45/08/487624508.db2.gz GCLGCYPAJLZHAN-LPEHRKFASA-N 1 0 214.309 0.262 10 0 BCAERO CN(C(=O)C[NH2+][C@H]1CCCC[C@@H]1O)C1CC1 ZINC000052015117 172310223 /nfs/dbraw/zinc/31/02/23/172310223.db2.gz AMICXBLMVMXQJC-QWRGUYRKSA-N 1 0 226.320 0.500 10 0 BCAERO CN(C(=O)C[NH2+][C@H]1CCN2CCC[C@H]12)C1CC1 ZINC000049567426 172310366 /nfs/dbraw/zinc/31/03/66/172310366.db2.gz LKUMPFDDEKGMLM-NWDGAFQWSA-N 1 0 237.347 0.434 10 0 BCAERO CN(C(=O)[C@@H]1CCC[NH2+]1)c1ccccn1 ZINC000040458891 172327414 /nfs/dbraw/zinc/32/74/14/172327414.db2.gz ISOUTLBEADLZOM-VIFPVBQESA-N 1 0 205.261 0.796 10 0 BCAERO CN(C(=O)[C@@H]1CCOC1)C(C)(C)C[NH3+] ZINC000082638759 172328608 /nfs/dbraw/zinc/32/86/08/172328608.db2.gz WMNMNLHNMURONV-MRVPVSSYSA-N 1 0 200.282 0.219 10 0 BCAERO CN(C(=O)[C@@H]1OCCc2ccccc21)C1C[NH2+]C1 ZINC000090289769 172330704 /nfs/dbraw/zinc/33/07/04/172330704.db2.gz YAWNMQZKTZKOAE-CYBMUJFWSA-N 1 0 246.310 0.731 10 0 BCAERO CN(C(=O)c1ccnn1C)[C@H]1CCC[NH2+]C1 ZINC000061665403 172345415 /nfs/dbraw/zinc/34/54/15/172345415.db2.gz XDJLOFOWMFLWJM-VIFPVBQESA-N 1 0 222.292 0.244 10 0 BCAERO CN(C(=O)c1cn[nH]c1)C1CC[NH2+]CC1 ZINC000036283247 172345677 /nfs/dbraw/zinc/34/56/77/172345677.db2.gz KKMXRYDJRWYKPU-UHFFFAOYSA-N 1 0 208.265 0.234 10 0 BCAERO CN(C(=O)c1n[nH]c2ccccc21)C1C[NH2+]C1 ZINC000090289853 172348117 /nfs/dbraw/zinc/34/81/17/172348117.db2.gz FFIVUHJRICKQSM-UHFFFAOYSA-N 1 0 230.271 0.607 10 0 BCAERO CN(C)C(=O)CCNC(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000055089222 172359308 /nfs/dbraw/zinc/35/93/08/172359308.db2.gz BYNFLZVBIKGGAX-ZJUUUORDSA-N 1 0 241.335 0.098 10 0 BCAERO CN(C)C(=O)CN(C)C(=O)[C@@H]1CCCC[C@H]1[NH3+] ZINC000055087147 172363050 /nfs/dbraw/zinc/36/30/50/172363050.db2.gz LZTKRLLPEVBXBN-NXEZZACHSA-N 1 0 241.335 0.051 10 0 BCAERO CN(C)C(=O)C[NH2+]C[C@H]1Cc2ccccc2O1 ZINC000038009965 172370088 /nfs/dbraw/zinc/37/00/88/172370088.db2.gz MJGBSBQBYKLXFQ-LLVKDONJSA-N 1 0 234.299 0.668 10 0 BCAERO CN(C)C(=O)CO[C@H]1COC2(C1)CC[NH2+]CC2 ZINC000096089780 172373033 /nfs/dbraw/zinc/37/30/33/172373033.db2.gz BQOYJVKKZDNIPJ-SNVBAGLBSA-N 1 0 242.319 0.002 10 0 BCAERO CN(C)C(=O)Cn1ccc2c1CCC[C@@H]2[NH3+] ZINC000041729954 172375367 /nfs/dbraw/zinc/37/53/67/172375367.db2.gz JNJYGTLBCNAAMG-JTQLQIEISA-N 1 0 221.304 0.912 10 0 BCAERO CN(C)C(=O)[C@@H]1CCCN1c1cc(C[NH3+])ccn1 ZINC000036796711 172385368 /nfs/dbraw/zinc/38/53/68/172385368.db2.gz BJEWHQCODFVARV-NSHDSACASA-N 1 0 248.330 0.597 10 0 BCAERO C[NH+](C)C[C@H]1CN(CCc2ccncc2)CCO1 ZINC000105925241 172497837 /nfs/dbraw/zinc/49/78/37/172497837.db2.gz ZISHVJQTQCSEKZ-AWEZNQCLSA-N 1 0 249.358 0.887 10 0 BCAERO C[NH+](C)[C@H](CNc1cncc2nncn21)C1CC1 ZINC000329466379 172535177 /nfs/dbraw/zinc/53/51/77/172535177.db2.gz RYTIQTMZPHSEGR-SNVBAGLBSA-N 1 0 246.318 0.876 10 0 BCAERO CN(C)c1ccc(C[C@@H](C[NH3+])CO)cc1 ZINC000011633067 172553942 /nfs/dbraw/zinc/55/39/42/172553942.db2.gz QEBDJCDLHCDMJH-NSHDSACASA-N 1 0 208.305 0.862 10 0 BCAERO CN(C1CCCCC1)S(=O)(=O)N[C@H]1C[C@@H]1[NH3+] ZINC000036264222 172597587 /nfs/dbraw/zinc/59/75/87/172597587.db2.gz FZHKPIFYKSVKEX-UWVGGRQHSA-N 1 0 247.364 0.185 10 0 BCAERO CN(CC(C)(C)C[NH3+])c1ccnc(C(N)=O)c1 ZINC000093874662 172624582 /nfs/dbraw/zinc/62/45/82/172624582.db2.gz ZKEZRPPYNFTMRH-UHFFFAOYSA-N 1 0 236.319 0.602 10 0 BCAERO CN(CCC[NH3+])C(=O)CCOC[C@H]1CCOC1 ZINC000049689011 172703658 /nfs/dbraw/zinc/70/36/58/172703658.db2.gz VIBQBFDWHCQCRY-NSHDSACASA-N 1 0 244.335 0.237 10 0 BCAERO CN(CCO)C(=O)C1([NH3+])CCCCC1 ZINC000037809211 172748740 /nfs/dbraw/zinc/74/87/40/172748740.db2.gz BZXOTRBUGODZIV-UHFFFAOYSA-N 1 0 200.282 0.099 10 0 BCAERO CN(C[C@@H]1CCCO1)C(=O)[C@@H]1CCC[C@H]1[NH3+] ZINC000247032475 172811719 /nfs/dbraw/zinc/81/17/19/172811719.db2.gz VMRPYWWHHCMXRS-HBNTYKKESA-N 1 0 226.320 0.751 10 0 BCAERO CN(C[C@@H]1CCOC1)C(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000162259398 172816782 /nfs/dbraw/zinc/81/67/82/172816782.db2.gz BNEHZLAFSJDJKE-TUAOUCFPSA-N 1 0 240.347 0.999 10 0 BCAERO CN(C[C@H]1CCC[NH2+]1)c1ncccc1O ZINC000095070953 172828861 /nfs/dbraw/zinc/82/88/61/172828861.db2.gz CPGHBGJDVOPRJE-SECBINFHSA-N 1 0 207.277 0.975 10 0 BCAERO CN(Cc1cnccn1)[C@@H]1CCC[NH2+]C1 ZINC000082499911 172914397 /nfs/dbraw/zinc/91/43/97/172914397.db2.gz FSJMINOZZOQFIM-LLVKDONJSA-N 1 0 206.293 0.660 10 0 BCAERO C[N@H+]([C@H]1CCSC1)C1(CN)CCOCC1 ZINC000036304938 172945855 /nfs/dbraw/zinc/94/58/55/172945855.db2.gz VMEICKMNJNKEIU-JTQLQIEISA-N 1 0 230.377 0.932 10 0 BCAERO CN(c1ccc(C(N)=O)cc1F)[C@@H]1CC[NH2+]C1 ZINC000071311641 172946791 /nfs/dbraw/zinc/94/67/91/172946791.db2.gz GQFGBYOVHDCANM-SECBINFHSA-N 1 0 237.278 0.723 10 0 BCAERO Cn1cc(CNC[C@H]2CCCC[N@@H+]2C)nn1 ZINC000054861030 173005578 /nfs/dbraw/zinc/00/55/78/173005578.db2.gz WMAWJRXENWSCFC-LLVKDONJSA-N 1 0 223.324 0.389 10 0 BCAERO C[N@@H+]1CCCC[C@H]1CNC(=O)c1c[nH]nc1N ZINC000044565974 173009056 /nfs/dbraw/zinc/00/90/56/173009056.db2.gz FSURVNKNWHIDDB-QMMMGPOBSA-N 1 0 237.307 0.206 10 0 BCAERO C[N@@H+]1CCCN(C(=O)c2cccnc2N)CC1 ZINC000050693335 173015137 /nfs/dbraw/zinc/01/51/37/173015137.db2.gz AVPJJMLFONQNAT-UHFFFAOYSA-N 1 0 234.303 0.442 10 0 BCAERO CN1CCC[N@H+](CC2(CO)CCOCC2)CC1 ZINC000052199235 173015312 /nfs/dbraw/zinc/01/53/12/173015312.db2.gz HRUZZPADLMJQTF-UHFFFAOYSA-N 1 0 242.363 0.413 10 0 BCAERO C[N@@H+]1CCCN(c2ncc(N)cn2)CC1 ZINC000040455190 173019772 /nfs/dbraw/zinc/01/97/72/173019772.db2.gz JVFXRAPYKAQYHF-UHFFFAOYSA-N 1 0 207.281 0.201 10 0 BCAERO C[N@@H+]1CCC[C@@H](Nc2ccc(N)cc2C(N)=O)C1 ZINC000041084539 173020244 /nfs/dbraw/zinc/02/02/44/173020244.db2.gz LIFRRZNVRQGHEY-SNVBAGLBSA-N 1 0 248.330 0.874 10 0 BCAERO C[N@@H+]1CCC[C@H](CNC(C)(C)C(N)=O)C1 ZINC000054243470 173040806 /nfs/dbraw/zinc/04/08/06/173040806.db2.gz BBOUHPINXBQGMG-SECBINFHSA-N 1 0 213.325 0.182 10 0 BCAERO CN(C(=O)c1cccc(N)n1)[C@H]1CCC[N@H+](C)C1 ZINC000053251009 173045113 /nfs/dbraw/zinc/04/51/13/173045113.db2.gz PHKKIDYIXBVSMH-JTQLQIEISA-N 1 0 248.330 0.830 10 0 BCAERO C[NH+](C)[C@H](C(=O)[O-])[C@H]1CCC[N@H+](C)C1 ZINC000082383145 173045720 /nfs/dbraw/zinc/04/57/20/173045720.db2.gz GEBZRQLCIKXPHE-IUCAKERBSA-N 1 0 200.282 0.343 10 0 BCAERO CN1CCN(C(=O)C[NH2+]CC2CCCC2)CC1 ZINC000037258505 173067425 /nfs/dbraw/zinc/06/74/25/173067425.db2.gz AABRKIYXDKWRRZ-UHFFFAOYSA-N 1 0 239.363 0.540 10 0 BCAERO CN1CCN(C(=O)[C@@H](C[NH3+])CC2CC2)CC1 ZINC000051690929 173069105 /nfs/dbraw/zinc/06/91/05/173069105.db2.gz SLXAZKWXKPFABO-LLVKDONJSA-N 1 0 225.336 0.135 10 0 BCAERO CN1CCN(C(=O)[C@@H]2CCCC[C@H]2[NH3+])CC1 ZINC000055085913 173069178 /nfs/dbraw/zinc/06/91/78/173069178.db2.gz FOUUSIWQWHGEGE-GHMZBOCLSA-N 1 0 225.336 0.278 10 0 BCAERO CN1CCN(C(=O)[C@@]2(C)CC[NH2+]C2)CC1(C)C ZINC000104129839 173070619 /nfs/dbraw/zinc/07/06/19/173070619.db2.gz KHDDOMLLCOJTLJ-ZDUSSCGKSA-N 1 0 239.363 0.539 10 0 BCAERO CN1CC[NH+](CC2(C(N)=S)CC2)CC1 ZINC000049815477 173079226 /nfs/dbraw/zinc/07/92/26/173079226.db2.gz STMNIQMVKANHKU-UHFFFAOYSA-N 1 0 213.350 0.300 10 0 BCAERO C[NH+]1CCN(Cc2ccc(C(N)=O)cc2N)CC1 ZINC000037272043 173087363 /nfs/dbraw/zinc/08/73/63/173087363.db2.gz DYHGAMOKZKRRIN-UHFFFAOYSA-N 1 0 248.330 0.115 10 0 BCAERO CN1CCN(Cc2ccc(C[NH3+])o2)C1=O ZINC000082640960 173087769 /nfs/dbraw/zinc/08/77/69/173087769.db2.gz SBRJKVJVKSETTN-UHFFFAOYSA-N 1 0 209.249 0.606 10 0 BCAERO C[N@@H+]1CCO[C@@H]2CN(c3ccccn3)C[C@H]21 ZINC000301691463 173105913 /nfs/dbraw/zinc/10/59/13/173105913.db2.gz YWULDXYPLBFICD-GHMZBOCLSA-N 1 0 219.288 0.601 10 0 BCAERO CN1CC[C@@H](C[NH2+]C2CCS(=O)CC2)C1 ZINC000042353647 173115233 /nfs/dbraw/zinc/11/52/33/173115233.db2.gz DVOONZXAQMASAC-NLTNOIMHSA-N 1 0 230.377 0.439 10 0 BCAERO C[N@@H+]1CC[C@@H](CNCc2csnn2)C1 ZINC000037484833 173118138 /nfs/dbraw/zinc/11/81/38/173118138.db2.gz JRFPZTFMZCKASG-QMMMGPOBSA-N 1 0 212.322 0.579 10 0 BCAERO CN1CC[C@@H]([NH3+])C[C@H]1CNC(=O)OC(C)(C)C ZINC000096986186 173120586 /nfs/dbraw/zinc/12/05/86/173120586.db2.gz WAFAMYZWUZONFY-ZJUUUORDSA-N 1 0 243.351 0.933 10 0 BCAERO C[N@@H+]1CC[C@@H](NC(=O)c2cc(N)cc(N)c2)C1 ZINC000042543664 173121739 /nfs/dbraw/zinc/12/17/39/173121739.db2.gz MYYZQEASELLDHC-LLVKDONJSA-N 1 0 234.303 0.285 10 0 BCAERO C[N@@H+]1CC[C@@H](NC(=O)c2cc(F)ccc2N)C1 ZINC000042543631 173122751 /nfs/dbraw/zinc/12/27/51/173122751.db2.gz CPDZNGDMYLQSDD-SECBINFHSA-N 1 0 237.278 0.842 10 0 BCAERO CN1CC[C@@H]([NH2+]CCc2nccn2C)C1 ZINC000061989431 173123288 /nfs/dbraw/zinc/12/32/88/173123288.db2.gz ACPHDTXZPHKBAW-SNVBAGLBSA-N 1 0 208.309 0.256 10 0 BCAERO C[N@@H+]1CC[C@@H](NC(=O)c2ccnc(N)c2)C1 ZINC000050709117 173123378 /nfs/dbraw/zinc/12/33/78/173123378.db2.gz VQHCISMIOIXQJC-SECBINFHSA-N 1 0 220.276 0.098 10 0 BCAERO C[N@@H+]1CC[C@@H](Nc2ccc(C(N)=O)cc2)C1 ZINC000061984584 173125331 /nfs/dbraw/zinc/12/53/31/173125331.db2.gz NCMPTPVJWJNDJV-LLVKDONJSA-N 1 0 219.288 0.902 10 0 BCAERO CN1CC[C@@](CN)([N@H+](C)C2CCCC2)C1 ZINC000061990178 173137091 /nfs/dbraw/zinc/13/70/91/173137091.db2.gz GTVBZKBSICTFDH-LBPRGKRZSA-N 1 0 211.353 0.894 10 0 BCAERO CN1CC[C@H]([N@H+](C)[C@H]2CCC[C@H]2O)C1=O ZINC000352662003 173148965 /nfs/dbraw/zinc/14/89/65/173148965.db2.gz ZOVPQFCMSOLQRR-LPEHRKFASA-N 1 0 212.293 0.062 10 0 BCAERO C[N@@H+]1CC[C@H](Nc2ccc(N)c3nonc32)C1 ZINC000042545060 173153911 /nfs/dbraw/zinc/15/39/11/173153911.db2.gz BOGTYAWHRZVETB-ZETCQYMHSA-N 1 0 233.275 0.921 10 0 BCAERO CN1CC[C@]([NH2+]C2CCCC2)(C(N)=O)C1 ZINC000061991088 173163230 /nfs/dbraw/zinc/16/32/30/173163230.db2.gz WTBFDQGKVTUEOR-LLVKDONJSA-N 1 0 211.309 0.078 10 0 BCAERO CNC(=O)C1CCN([C@H]2CCC[NH2+]C2)CC1 ZINC000042317527 173223866 /nfs/dbraw/zinc/22/38/66/173223866.db2.gz CMEIDKVTTLLHPP-NSHDSACASA-N 1 0 225.336 0.196 10 0 BCAERO CNC(=O)CCNC(=O)[C@H]1C[C@@H]([NH3+])CC[C@@H]1C ZINC000055140274 173258649 /nfs/dbraw/zinc/25/86/49/173258649.db2.gz VMBCAHWHNIMNKT-GUBZILKMSA-N 1 0 241.335 0.002 10 0 BCAERO CNC(=O)CCn1c(N)[nH+]c2ccccc21 ZINC000045005603 173264600 /nfs/dbraw/zinc/26/46/00/173264600.db2.gz RLJLOBHDAHBBEH-UHFFFAOYSA-N 1 0 218.260 0.755 10 0 BCAERO CNC(=O)CN(C)[C@@H](C[NH3+])c1cccc(C)c1 ZINC000042966096 173268951 /nfs/dbraw/zinc/26/89/51/173268951.db2.gz DTDKTYFFQMCGPV-LBPRGKRZSA-N 1 0 235.331 0.673 10 0 BCAERO CNC(=O)CN(C)[C@@H](C[NH3+])c1cccc(F)c1 ZINC000042971448 173270594 /nfs/dbraw/zinc/27/05/94/173270594.db2.gz VHZQTEDXKDPIJO-NSHDSACASA-N 1 0 239.294 0.503 10 0 BCAERO CNC(=O)CN(C)c1cc(C)ccc1C[NH3+] ZINC000051578880 173272247 /nfs/dbraw/zinc/27/22/47/173272247.db2.gz PVJJBZPKCYVNBQ-UHFFFAOYSA-N 1 0 221.304 0.636 10 0 BCAERO CNC(=O)C[NH2+]C1CCC2(CC1)OCCO2 ZINC000037224754 173276782 /nfs/dbraw/zinc/27/67/82/173276782.db2.gz FPINLTXSVOHTJX-UHFFFAOYSA-N 1 0 228.292 0.008 10 0 BCAERO CNC(=O)CNCCC[N@@H+]1CCCC[C@@H]1C ZINC000020047934 173277083 /nfs/dbraw/zinc/27/70/83/173277083.db2.gz QNDNXAVEHTYFFL-NSHDSACASA-N 1 0 227.352 0.587 10 0 BCAERO CNC(=O)C[NH2+][C@H]1CCCCC[C@H]1O ZINC000037886447 173278530 /nfs/dbraw/zinc/27/85/30/173278530.db2.gz RHBBVSCINCMWSA-DTWKUNHWSA-N 1 0 200.282 0.016 10 0 BCAERO CNC(=O)C[NH2+][C@H]1CCc2ccc(OC)cc2C1 ZINC000133228007 173278645 /nfs/dbraw/zinc/27/86/45/173278645.db2.gz GKUGSMVSYPJJEC-LBPRGKRZSA-N 1 0 248.326 0.888 10 0 BCAERO CNC(=O)COc1ccc(C[NH3+])cc1Cl ZINC000042303213 173279129 /nfs/dbraw/zinc/27/91/29/173279129.db2.gz ODCBBGZQJHVVAL-UHFFFAOYSA-N 1 0 228.679 0.924 10 0 BCAERO CNC(=O)COc1ccc([C@H](C)[NH3+])cc1OC ZINC000019263514 173279192 /nfs/dbraw/zinc/27/91/92/173279192.db2.gz PHZGPDHKTODAAQ-QMMMGPOBSA-N 1 0 238.287 0.840 10 0 BCAERO CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CC1(C)C ZINC000045119665 173288175 /nfs/dbraw/zinc/28/81/75/173288175.db2.gz LWWUJYLUEHHHIL-RNFRBKRXSA-N 1 0 213.281 0.219 10 0 BCAERO CNC(=O)NC(=O)[C@H](C)[NH2+]Cc1cccs1 ZINC000087555750 173288740 /nfs/dbraw/zinc/28/87/40/173288740.db2.gz DCXRPEOQYDHHTD-ZETCQYMHSA-N 1 0 241.316 0.682 10 0 BCAERO CNC(=O)NC(=O)[C@H](C)[NH2+]CC1CCC1 ZINC000034653316 173288769 /nfs/dbraw/zinc/28/87/69/173288769.db2.gz GSLKBGCAFNVKCY-ZETCQYMHSA-N 1 0 213.281 0.220 10 0 BCAERO CNC(=O)[C@@H](C)[NH2+]C1(CO)CCCCC1 ZINC000053097294 173294697 /nfs/dbraw/zinc/29/46/97/173294697.db2.gz VAXJBMCGZMLTHJ-SECBINFHSA-N 1 0 214.309 0.406 10 0 BCAERO CNC(=O)[C@@H](C)[NH2+][C@H](C)C(=O)N1CCCCC1 ZINC000042563061 173294930 /nfs/dbraw/zinc/29/49/30/173294930.db2.gz VGLOJLAJLSSRFO-NXEZZACHSA-N 1 0 241.335 0.112 10 0 BCAERO CNC(=O)[C@@H](C)Oc1ccc(C[NH3+])cc1 ZINC000020386048 173295916 /nfs/dbraw/zinc/29/59/16/173295916.db2.gz VIBORJJQBQZVAP-MRVPVSSYSA-N 1 0 208.261 0.659 10 0 BCAERO CNC(=O)[C@@H](C)OCC1CC[NH2+]CC1 ZINC000051814996 173296047 /nfs/dbraw/zinc/29/60/47/173296047.db2.gz NRQIUDZVXWXIBX-MRVPVSSYSA-N 1 0 200.282 0.137 10 0 BCAERO CNC(=O)[C@@H]1CCCCN1C(=O)C(C)(C)[NH2+]C ZINC000061317274 173297305 /nfs/dbraw/zinc/29/73/05/173297305.db2.gz NAUDFSPDXDFLTA-VIFPVBQESA-N 1 0 241.335 0.112 10 0 BCAERO CNC(=O)[C@H](C)N1CCC[C@H](C[NH2+]C(C)C)C1 ZINC000063139738 173301663 /nfs/dbraw/zinc/30/16/63/173301663.db2.gz BNUSRSYGXHTMDH-NWDGAFQWSA-N 1 0 241.379 0.831 10 0 BCAERO CNC(=O)[C@H](C)[NH2+]C1(CO)CCCC1 ZINC000053069636 173302472 /nfs/dbraw/zinc/30/24/72/173302472.db2.gz BWDVBFWGRUELGC-QMMMGPOBSA-N 1 0 200.282 0.016 10 0 BCAERO CNC(=O)[C@H](C)[NH2+]C1CCC2(CC1)OCCO2 ZINC000042560768 173302644 /nfs/dbraw/zinc/30/26/44/173302644.db2.gz VNFXWKZODRXNQQ-VIFPVBQESA-N 1 0 242.319 0.396 10 0 BCAERO CNC(=O)[C@H](C)[NH2+][C@@H](C)C(=O)NCCC(C)C ZINC000042563004 173303091 /nfs/dbraw/zinc/30/30/91/173303091.db2.gz RFSZWQQAPGFBSN-UWVGGRQHSA-N 1 0 243.351 0.261 10 0 BCAERO CNC(=O)[C@H](C)[NH2+]Cc1cn(C)nc1C(C)C ZINC000042562113 173303112 /nfs/dbraw/zinc/30/31/12/173303112.db2.gz HBRSMPOZIBYPIX-VIFPVBQESA-N 1 0 238.335 0.768 10 0 BCAERO CNC(=O)[C@H]1CCCN1C[C@H]([NH3+])c1ccccc1 ZINC000104316221 173307406 /nfs/dbraw/zinc/30/74/06/173307406.db2.gz QZDDPWVLXMDCNQ-QWHCGFSZSA-N 1 0 247.342 0.897 10 0 BCAERO CNC(=O)c1cc(N(C)C[C@H](C)C(N)=[NH2+])ccn1 ZINC000042459927 173309563 /nfs/dbraw/zinc/30/95/63/173309563.db2.gz JNEXSAQCNCYGOU-QMMMGPOBSA-N 1 0 249.318 0.449 10 0 BCAERO C[NH2+]C(C)(C)C(=O)N1CCC[C@H](CO)C1 ZINC000061300547 173317490 /nfs/dbraw/zinc/31/74/90/173317490.db2.gz UUXDVLTTZIXIRX-VIFPVBQESA-N 1 0 214.309 0.215 10 0 BCAERO C[NH2+]C(C)(C)C(=O)NC[C@@H]1CCCOC1 ZINC000061317820 173318228 /nfs/dbraw/zinc/31/82/28/173318228.db2.gz WWVUGLHHNIAXRR-VIFPVBQESA-N 1 0 214.309 0.527 10 0 BCAERO C[NH2+]C(C)(C)C(=O)N1C[C@H](C(N)=O)CC[C@@H]1C ZINC000061317595 173318257 /nfs/dbraw/zinc/31/82/57/173318257.db2.gz JAGAAMNMUNCKCP-DTWKUNHWSA-N 1 0 241.335 0.097 10 0 BCAERO C[NH2+]C(C)(C)C(=O)N[C@H]1CCC[C@@H]1OC ZINC000061319161 173318328 /nfs/dbraw/zinc/31/83/28/173318328.db2.gz WOHOPIXAIWLNQW-IUCAKERBSA-N 1 0 214.309 0.668 10 0 BCAERO C[NH2+]C(C)(C)C(=O)N1CCN(C(C)C)CC1 ZINC000061300534 173318532 /nfs/dbraw/zinc/31/85/32/173318532.db2.gz IMJYEYVBUHAZFT-UHFFFAOYSA-N 1 0 227.352 0.537 10 0 BCAERO C[NH2+]C(C)(C)C(=O)NC[C@H]1CCOC1 ZINC000061316612 173318589 /nfs/dbraw/zinc/31/85/89/173318589.db2.gz SYWLCIFNEJQRRR-MRVPVSSYSA-N 1 0 200.282 0.137 10 0 BCAERO C[NH2+]C(C)(C)C(=O)N[C@H](C)[C@H]1CCCO1 ZINC000061300455 173318687 /nfs/dbraw/zinc/31/86/87/173318687.db2.gz PXXDACXRJRVOTB-RKDXNWHRSA-N 1 0 214.309 0.668 10 0 BCAERO C[NH2+]C(C)(C)CN1CCN(c2ncccn2)CC1 ZINC000061319473 173319332 /nfs/dbraw/zinc/31/93/32/173319332.db2.gz QHKYEIDIIRPUSU-UHFFFAOYSA-N 1 0 249.362 0.597 10 0 BCAERO C[NH2+]C(C)(C)C(=O)Nc1nnc(C2CC2)o1 ZINC000061318747 173319517 /nfs/dbraw/zinc/31/95/17/173319517.db2.gz WTBBXQUUILVMTP-UHFFFAOYSA-N 1 0 224.264 0.884 10 0 BCAERO C[NH2+]C1CCN(C(=O)c2cn[nH]c2)CC1 ZINC000037469204 173322663 /nfs/dbraw/zinc/32/26/63/173322663.db2.gz AGDVUNNHBHXVGP-UHFFFAOYSA-N 1 0 208.265 0.234 10 0 BCAERO C[NH2+]C1CCN(C(=O)c2ccccn2)CC1 ZINC000037469217 173322863 /nfs/dbraw/zinc/32/28/63/173322863.db2.gz BLULMTDZWVRFBY-UHFFFAOYSA-N 1 0 219.288 0.906 10 0 BCAERO C[NH2+]CC(=O)N(CCOC)Cc1ccc(C)o1 ZINC000193132840 173325274 /nfs/dbraw/zinc/32/52/74/173325274.db2.gz CMBMOJWZKCRRLJ-UHFFFAOYSA-N 1 0 240.303 0.782 10 0 BCAERO C[NH2+]CC(=O)N1CCn2c(C)ccc2[C@@H]1C ZINC000037798435 173327415 /nfs/dbraw/zinc/32/74/15/173327415.db2.gz JFTKGPQGVIBWLV-JTQLQIEISA-N 1 0 221.304 0.919 10 0 BCAERO C[NH2+]CC(=O)NCCCc1cccn1C ZINC000077303524 173329260 /nfs/dbraw/zinc/32/92/60/173329260.db2.gz MXDBOXBDKWRLBY-UHFFFAOYSA-N 1 0 209.293 0.293 10 0 BCAERO C[NH2+]CC(=O)NCC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000038019365 173329474 /nfs/dbraw/zinc/32/94/74/173329474.db2.gz FSFNORFTJWIXMS-FGWVZKOKSA-N 1 0 225.336 0.195 10 0 BCAERO C[NH2+]CC(=O)NCCCc1ccc2[nH]cnc2c1 ZINC000077402284 173329668 /nfs/dbraw/zinc/32/96/68/173329668.db2.gz UEOIBABLOILPAL-UHFFFAOYSA-N 1 0 246.314 0.831 10 0 BCAERO C[NH2+]CC(=O)NC[C@H](c1ccco1)N(C)C ZINC000040805729 173330189 /nfs/dbraw/zinc/33/01/89/173330189.db2.gz HYKOXBNBYMSZQY-SECBINFHSA-N 1 0 225.292 0.218 10 0 BCAERO C[NH2+]CC(=O)N[C@@H](COC)c1ccco1 ZINC000193131851 173331197 /nfs/dbraw/zinc/33/11/97/173331197.db2.gz MGDFQMGPRVDOFB-QMMMGPOBSA-N 1 0 212.249 0.303 10 0 BCAERO C[NH2+]CC(=O)Nc1cc(C(N)=O)ccc1F ZINC000037025577 173332841 /nfs/dbraw/zinc/33/28/41/173332841.db2.gz ATEPXDCRELLIEX-UHFFFAOYSA-N 1 0 225.223 0.083 10 0 BCAERO C[NH2+]CC(=O)Nc1ccc(-n2cncn2)cc1 ZINC000037764827 173334322 /nfs/dbraw/zinc/33/43/22/173334322.db2.gz WCPJNTOAVMYHIR-UHFFFAOYSA-N 1 0 231.259 0.425 10 0 BCAERO C[NH2+]CC(=O)Nc1cccc2c[nH]nc21 ZINC000037044409 173334860 /nfs/dbraw/zinc/33/48/60/173334860.db2.gz GIGCXKMKJGBICJ-UHFFFAOYSA-N 1 0 204.233 0.721 10 0 BCAERO C[NH2+]CCCCCC(=O)N1CCOCC1 ZINC000077306620 173345434 /nfs/dbraw/zinc/34/54/34/173345434.db2.gz RXWITSACXXXZPL-UHFFFAOYSA-N 1 0 214.309 0.625 10 0 BCAERO CNC(=O)[C@@H](CC(C)C)NC(=O)CCC[NH2+]C ZINC000037610793 173345407 /nfs/dbraw/zinc/34/54/07/173345407.db2.gz NLSYFBVUCIRAFA-SNVBAGLBSA-N 1 0 243.351 0.263 10 0 BCAERO C[NH2+]CCCN1C(=O)CC2(CCCC2)C1=O ZINC000041054393 173346966 /nfs/dbraw/zinc/34/69/66/173346966.db2.gz CEAAXZOTKDFCQN-UHFFFAOYSA-N 1 0 224.304 0.915 10 0 BCAERO C[NH2+]CCN1c2cc(F)ccc2C(=O)C1=O ZINC000042410057 173354463 /nfs/dbraw/zinc/35/44/63/173354463.db2.gz DZQBFVKRFZZKJW-UHFFFAOYSA-N 1 0 222.219 0.574 10 0 BCAERO C[NH2+]CCN1c2ccc(C)cc2C(=O)C1=O ZINC000042409966 173354599 /nfs/dbraw/zinc/35/45/99/173354599.db2.gz VTJCONNNCLBYAL-UHFFFAOYSA-N 1 0 218.256 0.744 10 0 BCAERO C[NH2+]CCN1C(=O)CC2(CCCC2)CC1=O ZINC000054244929 173354631 /nfs/dbraw/zinc/35/46/31/173354631.db2.gz GAIHAJXHQBHIHN-UHFFFAOYSA-N 1 0 224.304 0.915 10 0 BCAERO C[NH2+]CCS(=O)(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000049630050 173357548 /nfs/dbraw/zinc/35/75/48/173357548.db2.gz OWJPNCTVRJGZNZ-UWVGGRQHSA-N 1 0 234.365 0.799 10 0 BCAERO C[NH2+]CC[C@H](C)N1CCn2ccnc2C1 ZINC000062324992 173358430 /nfs/dbraw/zinc/35/84/30/173358430.db2.gz WHLULWCICNLKLJ-JTQLQIEISA-N 1 0 208.309 0.697 10 0 BCAERO C[NH2+]CCc1ccc(O)c(NS(C)(=O)=O)c1 ZINC000005138577 173359397 /nfs/dbraw/zinc/35/93/97/173359397.db2.gz QIQWXTBITIYBEW-UHFFFAOYSA-N 1 0 244.316 0.526 10 0 BCAERO C[NH2+]CCc1nnc([C@@H]2CCCOC2)o1 ZINC000062243954 173361767 /nfs/dbraw/zinc/36/17/67/173361767.db2.gz KKXRLAVSTPSXLU-MRVPVSSYSA-N 1 0 211.265 0.726 10 0 BCAERO C[NH2+]CCn1cnc2sccc2c1=O ZINC000042409944 173361950 /nfs/dbraw/zinc/36/19/50/173361950.db2.gz YVCGLSNLIHMFPP-UHFFFAOYSA-N 1 0 209.274 0.677 10 0 BCAERO C[NH2+]CCc1noc(-c2ccnn2C)n1 ZINC000061665741 173362217 /nfs/dbraw/zinc/36/22/17/173362217.db2.gz LAWYQGXRULDURU-UHFFFAOYSA-N 1 0 207.237 0.232 10 0 BCAERO C[NH2+]C[C@@H](C)C(=O)N1CCCC[C@H]1C(=O)OC ZINC000092134292 173362896 /nfs/dbraw/zinc/36/28/96/173362896.db2.gz BUVAFDSSHVGSPP-ZJUUUORDSA-N 1 0 242.319 0.396 10 0 BCAERO C[NH2+]C[C@@H](O)Cc1cc(OC)ccc1OC ZINC000041245659 173365350 /nfs/dbraw/zinc/36/53/50/173365350.db2.gz YQSVHTJLARKMQY-JTQLQIEISA-N 1 0 225.288 0.827 10 0 BCAERO C[NH2+]C[C@@H](O)Cn1cnc2ccccc21 ZINC000019864179 173365524 /nfs/dbraw/zinc/36/55/24/173365524.db2.gz FPBFSZJCNDLQFN-SECBINFHSA-N 1 0 205.261 0.617 10 0 BCAERO C[NH2+]C[C@@H]1CCCCN1C(=O)c1cnccn1 ZINC000063167811 173366667 /nfs/dbraw/zinc/36/66/67/173366667.db2.gz XQBHCOKBQOQFPB-JTQLQIEISA-N 1 0 234.303 0.691 10 0 BCAERO C[NH2+]C[C@@H]1C[C@@H](F)CN1c1ccncn1 ZINC000238856346 173371600 /nfs/dbraw/zinc/37/16/00/173371600.db2.gz VSEDSCZDHJPPRI-BDAKNGLRSA-N 1 0 210.256 0.613 10 0 BCAERO C[NH2+]C[C@@]1([C@H]2CCS(=O)(=O)C2)CCOC1 ZINC000054663868 173373476 /nfs/dbraw/zinc/37/34/76/173373476.db2.gz XYAIMIMBCCPLMQ-UWVGGRQHSA-N 1 0 233.333 0.047 10 0 BCAERO C[NH2+]C[C@H](C)Oc1ccnc(C(=O)N(C)C)c1 ZINC000051867116 173375899 /nfs/dbraw/zinc/37/58/99/173375899.db2.gz DWSVHDJMOXDSKW-VIFPVBQESA-N 1 0 237.303 0.770 10 0 BCAERO C[NH2+]C[C@H](C)Oc1ncnc2[nH]cnc21 ZINC000051867198 173376033 /nfs/dbraw/zinc/37/60/33/173376033.db2.gz QGXVGOKXPUEONT-LURJTMIESA-N 1 0 207.237 0.291 10 0 BCAERO C[NH2+]C[C@H](C)Oc1cc(C)nc2ncnn21 ZINC000051867088 173376201 /nfs/dbraw/zinc/37/62/01/173376201.db2.gz UOICZXMFBLWMMR-QMMMGPOBSA-N 1 0 221.264 0.419 10 0 BCAERO C[NH2+]C[C@H](O)c1cc(OC)c(OC)cc1OC ZINC000036155148 173376976 /nfs/dbraw/zinc/37/69/76/173376976.db2.gz KDIDMYSPVFSUGD-VIFPVBQESA-N 1 0 241.287 0.965 10 0 BCAERO C[NH2+]C[C@H]1CCCN(C(=O)c2cnns2)C1 ZINC000040594006 173378677 /nfs/dbraw/zinc/37/86/77/173378677.db2.gz SIZIYFUHMRMRNC-MRVPVSSYSA-N 1 0 240.332 0.610 10 0 BCAERO C[NH2+]C[C@H]1CC[C@@H](CN2CCOCC2)O1 ZINC000052377921 173382413 /nfs/dbraw/zinc/38/24/13/173382413.db2.gz ATRRECAGFPPINA-MNOVXSKESA-N 1 0 214.309 0.086 10 0 BCAERO C[NH2+]Cc1c(C)nn(C)c1N(C)[C@@H](C)COC ZINC000042519069 173383704 /nfs/dbraw/zinc/38/37/04/173383704.db2.gz ZGAUVGYXXXBXKF-VIFPVBQESA-N 1 0 240.351 0.919 10 0 BCAERO C[NH2+]Cc1c(C)nn(C)c1N(C)CCCOC ZINC000062033079 173383955 /nfs/dbraw/zinc/38/39/55/173383955.db2.gz JIFDDBJONKCMEV-UHFFFAOYSA-N 1 0 240.351 0.921 10 0 BCAERO C[NH2+]Cc1c(C)nn(CCC(=O)N(C)C)c1C ZINC000037898279 173385317 /nfs/dbraw/zinc/38/53/17/173385317.db2.gz KLOVJULCWDZMHH-UHFFFAOYSA-N 1 0 238.335 0.698 10 0 BCAERO C[NH2+]Cc1cc(CN2CCCOCC2)on1 ZINC000061935796 173387614 /nfs/dbraw/zinc/38/76/14/173387614.db2.gz QJHUZICEYRDBOV-UHFFFAOYSA-N 1 0 225.292 0.616 10 0 BCAERO C[NH2+]Cc1cnc(N2CCS(=O)CC2)s1 ZINC000054907475 173391991 /nfs/dbraw/zinc/39/19/91/173391991.db2.gz NMTCPGZCJASIFB-UHFFFAOYSA-N 1 0 245.373 0.431 10 0 BCAERO C[NH2+]Cc1cnc(N2CCNC(=O)CC2)s1 ZINC000062101902 173392666 /nfs/dbraw/zinc/39/26/66/173392666.db2.gz SBJQYAYWHZNHMF-UHFFFAOYSA-N 1 0 240.332 0.189 10 0 BCAERO C[NH2+]Cc1cnn([C@@]2(C)CCS(=O)(=O)C2)c1 ZINC000040932610 173392984 /nfs/dbraw/zinc/39/29/84/173392984.db2.gz BQUZORCKJXBSLM-JTQLQIEISA-N 1 0 243.332 0.136 10 0 BCAERO C[NH2+]Cc1nnc(-c2cnc(N)s2)o1 ZINC000083346532 173397814 /nfs/dbraw/zinc/39/78/14/173397814.db2.gz QXXQXWVPIBDMQR-UHFFFAOYSA-N 1 0 211.250 0.495 10 0 BCAERO C[NH2+]Cc1nnnn1CC1CCCCC1 ZINC000054745199 173398729 /nfs/dbraw/zinc/39/87/29/173398729.db2.gz HRMDCLVJXBSVSH-UHFFFAOYSA-N 1 0 209.297 0.973 10 0 BCAERO C[NH2+]Cc1nnnn1-c1ccc2c(c1)CCC2 ZINC000054744953 173399085 /nfs/dbraw/zinc/39/90/85/173399085.db2.gz PQNXMQTYOFBGSO-UHFFFAOYSA-N 1 0 229.287 0.870 10 0 BCAERO C[NH2+][C@@H]1CCCN(C(=O)c2cnoc2C)C1 ZINC000053202522 173433662 /nfs/dbraw/zinc/43/36/62/173433662.db2.gz CRPSRQBBBUTHLW-SECBINFHSA-N 1 0 223.276 0.807 10 0 BCAERO C[NH2+][C@H](C)CNC(=O)c1cnn2ccccc12 ZINC000234436695 173447260 /nfs/dbraw/zinc/44/72/60/173447260.db2.gz LGZFOPXSCIPFCX-SECBINFHSA-N 1 0 232.287 0.672 10 0 BCAERO COC(=O)C1CCC([NH3+])(C(=O)OC)CC1 ZINC000088613750 173519452 /nfs/dbraw/zinc/51/94/52/173519452.db2.gz FVVFIQGZEMPZLA-UHFFFAOYSA-N 1 0 215.249 0.220 10 0 BCAERO COC(=O)C[C@H](C)[NH2+][C@H](C)CN1CCOCC1 ZINC000049504692 173633724 /nfs/dbraw/zinc/63/37/24/173633724.db2.gz NWNMCHKWAWQLEC-WDEREUQCSA-N 1 0 244.335 0.248 10 0 BCAERO COC(=O)[C@H](C)CN(C)C(=O)[C@H]1CCC[NH2+]C1 ZINC000037823440 173765463 /nfs/dbraw/zinc/76/54/63/173765463.db2.gz JAJRBGTWTIXNLN-ZJUUUORDSA-N 1 0 242.319 0.254 10 0 BCAERO COC(=O)[C@H]1CCCN1C[C@@H](C)C[NH3+] ZINC000082433095 173812574 /nfs/dbraw/zinc/81/25/74/173812574.db2.gz LSBDIRXXWYARLU-DTWKUNHWSA-N 1 0 200.282 0.219 10 0 BCAERO COC(C)(C)CNC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000133464180 173941342 /nfs/dbraw/zinc/94/13/42/173941342.db2.gz AXKMUBDXRRDBAW-BDAKNGLRSA-N 1 0 214.309 0.655 10 0 BCAERO COC(C)(C)CNC(=O)[C@H](C)C1C[NH2+]C1 ZINC000129372079 173941966 /nfs/dbraw/zinc/94/19/66/173941966.db2.gz OHKVNDUOYQPVHH-MRVPVSSYSA-N 1 0 214.309 0.383 10 0 BCAERO COC1CCN(C(=O)C(C)(C)[NH3+])CC1 ZINC000040920604 174024488 /nfs/dbraw/zinc/02/44/88/174024488.db2.gz ACTJWCVYRZELFT-UHFFFAOYSA-N 1 0 200.282 0.361 10 0 BCAERO COCC(=O)N1CCC[NH2+]CC1(C)C ZINC000062568608 174041358 /nfs/dbraw/zinc/04/13/58/174041358.db2.gz AJNBXKVGKTXECX-UHFFFAOYSA-N 1 0 200.282 0.233 10 0 BCAERO COCC(=O)N1C[C@@H](C)[C@H]([NH+](C)C)C1 ZINC000089710200 174046155 /nfs/dbraw/zinc/04/61/55/174046155.db2.gz MZXDMHJJWZZNQT-RKDXNWHRSA-N 1 0 200.282 0.041 10 0 BCAERO COCCC(=O)N1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000053731826 174123183 /nfs/dbraw/zinc/12/31/83/174123183.db2.gz XPPOUSJHFPISMD-WDEREUQCSA-N 1 0 226.320 0.766 10 0 BCAERO COCCC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000246766860 174126619 /nfs/dbraw/zinc/12/66/19/174126619.db2.gz ATKSMEHLHBPSKM-MNOVXSKESA-N 1 0 226.320 0.718 10 0 BCAERO COCCC[N@H+](CCOC)[C@@H](C)CC(=O)OC ZINC000042423140 174227259 /nfs/dbraw/zinc/22/72/59/174227259.db2.gz JQKAAKYFKQWXLC-NSHDSACASA-N 1 0 247.335 0.923 10 0 BCAERO COCCC[N@@H+]1CCN(C[C@@H](C)O)[C@H](C)C1 ZINC000105824051 174231393 /nfs/dbraw/zinc/23/13/93/174231393.db2.gz CTUNWCAHWXAHLJ-VXGBXAGGSA-N 1 0 230.352 0.410 10 0 BCAERO COCCC[N@@H+]1CCO[C@H](Cn2cccn2)C1 ZINC000105890318 174231674 /nfs/dbraw/zinc/23/16/74/174231674.db2.gz PLBUWRFLSMXHFU-LBPRGKRZSA-N 1 0 239.319 0.620 10 0 BCAERO COCCCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CCCO1 ZINC000034938636 174243087 /nfs/dbraw/zinc/24/30/87/174243087.db2.gz SOKQXOWTPLHGFT-MNOVXSKESA-N 1 0 244.335 0.296 10 0 BCAERO COCCCNC(=O)[C@H](C)OC[C@H]1CC[NH2+]C1 ZINC000051888218 174244437 /nfs/dbraw/zinc/24/44/37/174244437.db2.gz YZXGYPXHPWQTMQ-QWRGUYRKSA-N 1 0 244.335 0.154 10 0 BCAERO COCCCNC(=O)[C@H](C)[NH2+]CC1CC1 ZINC000034939897 174244662 /nfs/dbraw/zinc/24/46/62/174244662.db2.gz GUAZMSWRUWREAL-VIFPVBQESA-N 1 0 214.309 0.527 10 0 BCAERO COCCC[C@@H](C)[NH2+][C@@H]1CCCNC1=O ZINC000336764379 174261329 /nfs/dbraw/zinc/26/13/29/174261329.db2.gz PSSHVRDQJVBYBS-NXEZZACHSA-N 1 0 214.309 0.670 10 0 BCAERO COCCC[C@H](C)[NH2+]CCn1cncn1 ZINC000309058785 174262835 /nfs/dbraw/zinc/26/28/35/174262835.db2.gz VPJJOMMDDYGMQD-JTQLQIEISA-N 1 0 212.297 0.683 10 0 BCAERO COCCN(C(=O)C[NH2+]C1CC1)[C@@H](C)COC ZINC000042610258 174268546 /nfs/dbraw/zinc/26/85/46/174268546.db2.gz WDEMZPHVUSUHJH-JTQLQIEISA-N 1 0 244.335 0.248 10 0 BCAERO COCCN(C)CC[NH2+]Cc1cnn(C)c1C ZINC000093650260 174276580 /nfs/dbraw/zinc/27/65/80/174276580.db2.gz CYJHOOOYKYXONC-UHFFFAOYSA-N 1 0 240.351 0.396 10 0 BCAERO COCC[N@H+](CC(C)C)C[C@]1(CO)CCOC1 ZINC000051294211 174287508 /nfs/dbraw/zinc/28/75/08/174287508.db2.gz SXMULXZFNKVUCC-ZDUSSCGKSA-N 1 0 245.363 0.990 10 0 BCAERO COCCN(CC(C)C)C[C@H]1C[C@H](OC)C[NH2+]1 ZINC000042370835 174287770 /nfs/dbraw/zinc/28/77/70/174287770.db2.gz XQEAGWSIAIFITC-OLZOCXBDSA-N 1 0 244.379 0.968 10 0 BCAERO COCCN(CCOC)C(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000097093208 174295768 /nfs/dbraw/zinc/29/57/68/174295768.db2.gz NPZVKVZQTFKDIC-GHMZBOCLSA-N 1 0 244.335 0.235 10 0 BCAERO COCCN(C[C@H](C)[NH3+])[C@@H](C)COC ZINC000042607136 174297777 /nfs/dbraw/zinc/29/77/77/174297777.db2.gz ZKKUIKUELBBYKY-UWVGGRQHSA-N 1 0 204.314 0.317 10 0 BCAERO COCCN(Cc1ccco1)C(=O)C[NH3+] ZINC000032012673 174301139 /nfs/dbraw/zinc/30/11/39/174301139.db2.gz ACNDJGJOJIAUNW-UHFFFAOYSA-N 1 0 212.249 0.213 10 0 BCAERO COCCN([C@H](C)C1CC1)[C@]1(C[NH3+])CCOC1 ZINC000104072117 174302489 /nfs/dbraw/zinc/30/24/89/174302489.db2.gz YHYHHQIABWICJP-YPMHNXCESA-N 1 0 242.363 0.851 10 0 BCAERO COCC[N@@H+]1CCCN(c2cccnn2)CC1 ZINC000105799276 174307290 /nfs/dbraw/zinc/30/72/90/174307290.db2.gz PHKWJFPNGZNBGN-UHFFFAOYSA-N 1 0 236.319 0.635 10 0 BCAERO COCCNC(=O)C[NH2+]C[C@H]1C[C@H]2CC[C@@H]1C2 ZINC000104231454 174321162 /nfs/dbraw/zinc/32/11/62/174321162.db2.gz RUPZFRFJLXMLES-QJPTWQEYSA-N 1 0 240.347 0.775 10 0 BCAERO COCCNC(=O)[C@@H](C)[NH2+]CCC(C)C ZINC000034937571 174325334 /nfs/dbraw/zinc/32/53/34/174325334.db2.gz PYINCNLWYRJPGM-SNVBAGLBSA-N 1 0 216.325 0.773 10 0 BCAERO COCCNC(=O)[C@@H](C)[NH2+]CC1CC1 ZINC000034939920 174325646 /nfs/dbraw/zinc/32/56/46/174325646.db2.gz WRXSOMNGKRQFNW-MRVPVSSYSA-N 1 0 200.282 0.137 10 0 BCAERO COCCNC(=O)[C@H]1CCCC[C@H]1[NH3+] ZINC000055085930 174327341 /nfs/dbraw/zinc/32/73/41/174327341.db2.gz BDGYLKHEZOXQTI-DTWKUNHWSA-N 1 0 200.282 0.267 10 0 BCAERO COCC[NH2+]C[C@@H](O)COc1cccc(C)c1 ZINC000033468590 174333377 /nfs/dbraw/zinc/33/33/77/174333377.db2.gz GQXQJKSLUQNZGD-GFCCVEGCSA-N 1 0 239.315 0.971 10 0 BCAERO COCC[NH2+]C[C@H](O)c1ccc(F)c(N)c1 ZINC000098125116 174334853 /nfs/dbraw/zinc/33/48/53/174334853.db2.gz VDJNPHTZHYIHOA-NSHDSACASA-N 1 0 228.267 0.677 10 0 BCAERO COCC[NH2+]C[C@@H](O)c1ccc(OC)cc1 ZINC000032014963 174335184 /nfs/dbraw/zinc/33/51/84/174335184.db2.gz QJIBJZLUNZNAJB-GFCCVEGCSA-N 1 0 225.288 0.965 10 0 BCAERO COCCOCCC(=O)N1CCCC[C@H]1C[NH3+] ZINC000131144488 174348111 /nfs/dbraw/zinc/34/81/11/174348111.db2.gz FFDXQBNBNXLCLN-NSHDSACASA-N 1 0 244.335 0.379 10 0 BCAERO COCCOCCCNC(=O)[C@H]1C[NH2+]C[C@H]1C ZINC000104205143 174349888 /nfs/dbraw/zinc/34/98/88/174349888.db2.gz VUNLRLLMJPHBAM-MNOVXSKESA-N 1 0 244.335 0.011 10 0 BCAERO COCCOc1ccc([C@H](O)C[NH3+])cc1 ZINC000032012486 174370227 /nfs/dbraw/zinc/37/02/27/174370227.db2.gz WAYJJZPAHPUARX-LLVKDONJSA-N 1 0 211.261 0.704 10 0 BCAERO COC[C@@H]([NH2+]C[C@@H](C)N1CCOCC1)C(C)C ZINC000123465480 174483619 /nfs/dbraw/zinc/48/36/19/174483619.db2.gz CCHGHPFNEWFHDJ-CHWSQXEVSA-N 1 0 244.379 0.968 10 0 BCAERO CO[C@@H](C)C(=O)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186502219 174676147 /nfs/dbraw/zinc/67/61/47/174676147.db2.gz MFRSGKFZLUISRX-VHSXEESVSA-N 1 0 226.320 0.764 10 0 BCAERO CO[C@@H]1C[NH2+][C@@H](c2nnc3cnccn32)C1 ZINC000035452341 174770047 /nfs/dbraw/zinc/77/00/47/174770047.db2.gz IXJWFCJPPOYTSV-JGVFFNPUSA-N 1 0 219.248 0.174 10 0 BCAERO CO[C@@H]1C[NH2+][C@H](C(=O)N(C)CC2CCC2)C1 ZINC000061479819 174770618 /nfs/dbraw/zinc/77/06/18/174770618.db2.gz OPGONZHISKVCCC-QWRGUYRKSA-N 1 0 226.320 0.622 10 0 BCAERO CO[C@H]1C[NH2+][C@@H](CN2CCCOCC2)C1 ZINC000061934775 174899360 /nfs/dbraw/zinc/89/93/60/174899360.db2.gz DHYKIUWNXZSQBT-GHMZBOCLSA-N 1 0 214.309 0.086 10 0 BCAERO CO[C@H]1C[NH2+]C[C@H]1NC(=O)C1CCCCC1 ZINC000036235692 174899523 /nfs/dbraw/zinc/89/95/23/174899523.db2.gz NYMUVZSMBDMTED-MNOVXSKESA-N 1 0 226.320 0.670 10 0 BCAERO COc1c(F)cc([C@H]([NH3+])CO)cc1F ZINC000072197931 174931568 /nfs/dbraw/zinc/93/15/68/174931568.db2.gz REGRAQTXLWGKAR-MRVPVSSYSA-N 1 0 203.188 0.966 10 0 BCAERO COc1cc(OC)c([C@@H](O)C[NH3+])cc1OC ZINC000020216709 175008195 /nfs/dbraw/zinc/00/81/95/175008195.db2.gz OJIBCXRMXJZCTR-QMMMGPOBSA-N 1 0 227.260 0.705 10 0 BCAERO COc1cc(OC)nc(N2CC[C@@H](C[NH3+])C2)n1 ZINC000135008719 175011377 /nfs/dbraw/zinc/01/13/77/175011377.db2.gz JLUCMEVZDDOPPL-QMMMGPOBSA-N 1 0 238.291 0.279 10 0 BCAERO COc1cc([C@@H](C[NH3+])CO)cc(OC)c1OC ZINC000071550512 175013711 /nfs/dbraw/zinc/01/37/11/175013711.db2.gz AVILLSVLLQRYKY-VIFPVBQESA-N 1 0 241.287 0.747 10 0 BCAERO COc1cc([C@@H]([NH3+])CO)c(F)cc1O ZINC000072197893 175014209 /nfs/dbraw/zinc/01/42/09/175014209.db2.gz XKIUQTAKWUXGHJ-ZETCQYMHSA-N 1 0 201.197 0.532 10 0 BCAERO COc1cc([C@@H]([NH3+])CO)cc(F)c1F ZINC000072197928 175014256 /nfs/dbraw/zinc/01/42/56/175014256.db2.gz TVUZXMVQSFIRRH-ZETCQYMHSA-N 1 0 203.188 0.966 10 0 BCAERO COc1cc([C@@](C)([NH3+])C(N)=O)ccc1O ZINC000037460035 175015037 /nfs/dbraw/zinc/01/50/37/175015037.db2.gz NBOGOYDWEFOQAD-SNVBAGLBSA-N 1 0 210.233 0.060 10 0 BCAERO COc1ccc(-n2nnnc2C[NH3+])c(C)c1 ZINC000061569219 175045737 /nfs/dbraw/zinc/04/57/37/175045737.db2.gz RBBGJVSHWYSVMY-UHFFFAOYSA-N 1 0 219.248 0.438 10 0 BCAERO COc1ccc(-n2nnnc2[C@H](C)[NH3+])cc1 ZINC000062493960 175045848 /nfs/dbraw/zinc/04/58/48/175045848.db2.gz QRHFIQUGTAKOES-ZETCQYMHSA-N 1 0 219.248 0.691 10 0 BCAERO COc1ccc(C(=O)N[C@H]2C[C@@H]2[NH3+])c(O)c1 ZINC000036234762 175063421 /nfs/dbraw/zinc/06/34/21/175063421.db2.gz DACQNWXJOHMPHF-IUCAKERBSA-N 1 0 222.244 0.230 10 0 BCAERO COc1ccc(CC[C@H]([NH3+])CO)cc1OC ZINC000071532232 175093862 /nfs/dbraw/zinc/09/38/62/175093862.db2.gz CCJHIJGSKURTRU-JTQLQIEISA-N 1 0 225.288 0.956 10 0 BCAERO COc1ccc(CC[C@H]([NH3+])C(N)=O)cc1 ZINC000083827336 175094063 /nfs/dbraw/zinc/09/40/63/175094063.db2.gz IANSEODFGDBLDE-JTQLQIEISA-N 1 0 208.261 0.440 10 0 BCAERO COc1ccc(C[NH2+][C@@H]2CCO[C@@H]2C)nn1 ZINC000292305247 175110226 /nfs/dbraw/zinc/11/02/26/175110226.db2.gz MZNMHUZRGGHGNZ-PSASIEDQSA-N 1 0 223.276 0.752 10 0 BCAERO COc1ccc(NC(=O)C[NH2+][C@H](C)CO)cc1 ZINC000035604235 175142498 /nfs/dbraw/zinc/14/24/98/175142498.db2.gz PSSASJRMUJZSFI-SECBINFHSA-N 1 0 238.287 0.604 10 0 BCAERO COc1ccc(O)c(C(=O)N[C@H]2C[C@H]2[NH3+])c1 ZINC000043327876 175157193 /nfs/dbraw/zinc/15/71/93/175157193.db2.gz JLNMDCKHEFJONV-BDAKNGLRSA-N 1 0 222.244 0.230 10 0 BCAERO COc1ccc(O)c(C(=O)N[C@@H]2C[C@H]2[NH3+])c1 ZINC000043327875 175157249 /nfs/dbraw/zinc/15/72/49/175157249.db2.gz JLNMDCKHEFJONV-RKDXNWHRSA-N 1 0 222.244 0.230 10 0 BCAERO COc1ccc(OC)c([C@@](C)(O)C[NH3+])c1 ZINC000001998681 175167685 /nfs/dbraw/zinc/16/76/85/175167685.db2.gz AURMVDWBJNLYHE-NSHDSACASA-N 1 0 211.261 0.870 10 0 BCAERO COc1ccc(S(=O)(=O)C[C@H](C)[NH3+])cc1 ZINC000071534118 175173821 /nfs/dbraw/zinc/17/38/21/175173821.db2.gz UUJAFPOBEZQVRN-QMMMGPOBSA-N 1 0 229.301 0.816 10 0 BCAERO COc1ccc(S(=O)(=O)N[C@H]2C[C@H]2[NH3+])cc1 ZINC000036263999 175174678 /nfs/dbraw/zinc/17/46/78/175174678.db2.gz LFEYXGFMDMYUCI-ZJUUUORDSA-N 1 0 242.300 0.073 10 0 BCAERO COc1ccc([C@@H](C[NH3+])N2CCNC(=O)C2)cc1 ZINC000042960241 175178096 /nfs/dbraw/zinc/17/80/96/175178096.db2.gz ZYPAEZRHAMRLEE-GFCCVEGCSA-N 1 0 249.314 0.127 10 0 BCAERO COc1ccc([C@H]([NH3+])Cn2cncn2)c(OC)c1 ZINC000023068248 175191888 /nfs/dbraw/zinc/19/18/88/175191888.db2.gz MTRWSCPCFRUZBF-LLVKDONJSA-N 1 0 248.286 0.995 10 0 BCAERO COc1ccc([C@H](N)C[NH3+])c(OC)c1OC ZINC000035677094 175191955 /nfs/dbraw/zinc/19/19/55/175191955.db2.gz XBFOEHUKVHSZLP-MRVPVSSYSA-N 1 0 226.276 0.671 10 0 BCAERO COc1cccc(-n2nnnc2[C@H](C)[NH3+])c1 ZINC000062494008 175240083 /nfs/dbraw/zinc/24/00/83/175240083.db2.gz RAIPFKVDDMQLKI-ZETCQYMHSA-N 1 0 219.248 0.691 10 0 BCAERO COc1cccc(CCS(=O)(=O)CC[NH3+])c1 ZINC000057955766 175252334 /nfs/dbraw/zinc/25/23/34/175252334.db2.gz ZPLAUKFICUTYAY-UHFFFAOYSA-N 1 0 243.328 0.611 10 0 BCAERO COc1cccc(COC[C@H](O)C[NH3+])c1 ZINC000019484749 175269492 /nfs/dbraw/zinc/26/94/92/175269492.db2.gz MRJNTZGNHZBLCZ-SNVBAGLBSA-N 1 0 211.261 0.531 10 0 BCAERO COc1cccc(C[C@H]2C[NH2+]CCN2)n1 ZINC000112953146 175272544 /nfs/dbraw/zinc/27/25/44/175272544.db2.gz QADXNQZPFVHBJD-JTQLQIEISA-N 1 0 207.277 0.194 10 0 BCAERO COc1cccc(Cc2nnc(CC[NH3+])[nH]2)c1 ZINC000061844103 175272751 /nfs/dbraw/zinc/27/27/51/175272751.db2.gz ZODOWQKQOPVJPG-UHFFFAOYSA-N 1 0 232.287 0.905 10 0 BCAERO COc1cccc(OC[C@H](O)CC[NH3+])c1 ZINC000020399761 175284405 /nfs/dbraw/zinc/28/44/05/175284405.db2.gz GAZWDGKGQFFPPK-SECBINFHSA-N 1 0 211.261 0.784 10 0 BCAERO COc1cccc([C@H](O)C[NH2+]C2COC2)c1 ZINC000088033580 175294950 /nfs/dbraw/zinc/29/49/50/175294950.db2.gz QKRIRMSKFOFNAA-GFCCVEGCSA-N 1 0 223.272 0.717 10 0 BCAERO COc1cccc([C@H](O)C[NH2+]CCCO)c1 ZINC000071695992 175295163 /nfs/dbraw/zinc/29/51/63/175295163.db2.gz GAEJGZZKARKQLY-GFCCVEGCSA-N 1 0 225.288 0.701 10 0 BCAERO COc1ccccc1CCN1C[C@@H]([NH3+])CC1=O ZINC000015015153 175322660 /nfs/dbraw/zinc/32/26/60/175322660.db2.gz KUWWDTLINKBHEZ-NSHDSACASA-N 1 0 234.299 0.797 10 0 BCAERO COc1ccccc1CN(C)C(=O)C1C[NH2+]C1 ZINC000091410006 175324614 /nfs/dbraw/zinc/32/46/14/175324614.db2.gz ZERYXCQQGYQZLD-UHFFFAOYSA-N 1 0 234.299 0.873 10 0 BCAERO COc1ccccc1OC[C@@H](C[NH3+])N(C)C ZINC000020400012 175341469 /nfs/dbraw/zinc/34/14/69/175341469.db2.gz WAQJLOSGYDFJSN-SNVBAGLBSA-N 1 0 224.304 0.963 10 0 BCAERO COc1ccccc1[C@H](CO)N1CC[NH2+]CC1 ZINC000038120802 175353255 /nfs/dbraw/zinc/35/32/55/175353255.db2.gz ORNSJIYDKFAJSG-LBPRGKRZSA-N 1 0 236.315 0.634 10 0 BCAERO COc1ccccc1[C@H]([NH3+])Cn1cnccc1=O ZINC000104267802 175353300 /nfs/dbraw/zinc/35/33/00/175353300.db2.gz KRSTWIJENZRMTG-LLVKDONJSA-N 1 0 245.282 0.952 10 0 BCAERO COc1ccccc1[C@H](C[NH3+])N(C)CCO ZINC000020225743 175353831 /nfs/dbraw/zinc/35/38/31/175353831.db2.gz VZVNRCUKOQFKBX-NSHDSACASA-N 1 0 224.304 0.619 10 0 BCAERO COc1ccnc(N2CC[C@](C)(C[NH3+])C2)n1 ZINC000235010818 175362730 /nfs/dbraw/zinc/36/27/30/175362730.db2.gz IDEWGZFJPYTXJB-LLVKDONJSA-N 1 0 222.292 0.660 10 0 BCAERO COc1ccnc(NCC2([NH3+])CCC2)n1 ZINC000235011329 175364657 /nfs/dbraw/zinc/36/46/57/175364657.db2.gz SMTFGTCXACGWPR-UHFFFAOYSA-N 1 0 208.265 0.779 10 0 BCAERO COc1cncc(C[NH2+][C@@H]2CCC(=O)N[C@@H]2C)c1 ZINC000289378716 175385749 /nfs/dbraw/zinc/38/57/49/175385749.db2.gz JACZLTHHSNLOHF-BXKDBHETSA-N 1 0 249.314 0.847 10 0 BCAERO COc1cncc(N2CCC[NH2+]CC2)c1 ZINC000000023624 175386823 /nfs/dbraw/zinc/38/68/23/175386823.db2.gz CLRANNZHQRADST-UHFFFAOYSA-N 1 0 207.277 0.890 10 0 BCAERO COc1nc(Cl)nc(N[C@H]2C[C@@H]2[NH3+])n1 ZINC000061514704 175392560 /nfs/dbraw/zinc/39/25/60/175392560.db2.gz NCNHLXSQUSRIEW-IMJSIDKUSA-N 1 0 215.644 0.045 10 0 BCAERO COc1nc(Cl)nc(O[C@H]2CC[NH2+]C2)n1 ZINC000061514990 175392562 /nfs/dbraw/zinc/39/25/62/175392562.db2.gz KLJWIAVRKFSWRH-YFKPBYRVSA-N 1 0 230.655 0.274 10 0 BCAERO COc1nc(Cl)nc(N[C@@H]2CC[NH2+]C2)n1 ZINC000061514764 175393063 /nfs/dbraw/zinc/39/30/63/175393063.db2.gz APAJAERLMPHIDG-RXMQYKEDSA-N 1 0 229.671 0.307 10 0 BCAERO COc1nc(Cl)nc(OC2CC[NH2+]CC2)n1 ZINC000061514981 175393085 /nfs/dbraw/zinc/39/30/85/175393085.db2.gz XDGNNAZRDFGMKL-UHFFFAOYSA-N 1 0 244.682 0.664 10 0 BCAERO COc1ncc(C[NH3+])c(C(F)(F)F)n1 ZINC000083286574 175398085 /nfs/dbraw/zinc/39/80/85/175398085.db2.gz WGFDTCXYZBUAKL-UHFFFAOYSA-N 1 0 207.155 0.963 10 0 BCAERO COc1ncccc1C(=O)NC1[C@H]2C[NH2+]C[C@@H]12 ZINC000061445141 175405041 /nfs/dbraw/zinc/40/50/41/175405041.db2.gz UQRUNSJXUPURKC-ULKQDVFKSA-N 1 0 233.271 0.038 10 0 BCAERO COc1nccnc1CN(C)C[C@@H]1CCC[NH2+]1 ZINC000095071591 175411264 /nfs/dbraw/zinc/41/12/64/175411264.db2.gz JNBDWADGYGGPAY-JTQLQIEISA-N 1 0 236.319 0.669 10 0 BCAERO CS(=O)(=O)CCC[NH2+]C[C@H]1CCOC1 ZINC000038047278 175421476 /nfs/dbraw/zinc/42/14/76/175421476.db2.gz ILGCUNFEKKPBDN-SECBINFHSA-N 1 0 221.322 0.047 10 0 BCAERO CS(=O)(=O)Nc1ccc(F)c([C@@H](O)C[NH3+])c1 ZINC000000005703 175432705 /nfs/dbraw/zinc/43/27/05/175432705.db2.gz XYLJNMCMDOOJRW-VIFPVBQESA-N 1 0 248.279 0.189 10 0 in-man BCAERO CS(=O)(=O)c1ccccc1N1CC[C@H]([NH3+])C1 ZINC000050244160 175439285 /nfs/dbraw/zinc/43/92/85/175439285.db2.gz RSIJUBKVMAHFSV-VIFPVBQESA-N 1 0 240.328 0.628 10 0 BCAERO CSc1nccnc1CN1CC[NH2+]CC1 ZINC000082652308 175590606 /nfs/dbraw/zinc/59/06/06/175590606.db2.gz KEESBVHEXOCCOG-UHFFFAOYSA-N 1 0 224.333 0.604 10 0 BCAERO C[C@@H](C(=O)N1CCCC[C@H]1C)N1CC[NH2+]CC1 ZINC000020521094 175604855 /nfs/dbraw/zinc/60/48/55/175604855.db2.gz AGZSMWWXFDTVPR-NEPJUHHUSA-N 1 0 239.363 0.681 10 0 BCAERO CC[N@H+](CCOCCO)C[C@@H]1CCC[C@@H](O)C1 ZINC000383506500 487631373 /nfs/dbraw/zinc/63/13/73/487631373.db2.gz KJMXHVCZKZPVID-CHWSQXEVSA-N 1 0 245.363 0.868 10 0 BCAERO C[C@@H](C[NH3+])CN(C)C(=O)[C@@H]1CCCO1 ZINC000042454960 175707567 /nfs/dbraw/zinc/70/75/67/175707567.db2.gz QESSFMATFMQREW-IUCAKERBSA-N 1 0 200.282 0.219 10 0 BCAERO C[C@@H](Cn1cccn1)NC(=[NH2+])NC1CC1 ZINC000052045055 175778846 /nfs/dbraw/zinc/77/88/46/175778846.db2.gz CEJSPDXVJVARMW-QMMMGPOBSA-N 1 0 207.281 0.548 10 0 BCAERO C[C@@H]([NH3+])CCNS(=O)(=O)N1CCCCC1 ZINC000063171045 175805716 /nfs/dbraw/zinc/80/57/16/175805716.db2.gz ZRUWFSUXNRBGCB-SECBINFHSA-N 1 0 235.353 0.044 10 0 BCAERO C[C@@H]([NH3+])Cc1nc(-c2ncccn2)no1 ZINC000036814741 175807665 /nfs/dbraw/zinc/80/76/65/175807665.db2.gz ZCTKZFYCRKGHRP-ZCFIWIBFSA-N 1 0 205.221 0.416 10 0 BCAERO C[C@@H]([NH3+])Cc1nc(-c2cnccn2)no1 ZINC000037370125 175807751 /nfs/dbraw/zinc/80/77/51/175807751.db2.gz SKGHDZUULVVCCW-ZCFIWIBFSA-N 1 0 205.221 0.416 10 0 BCAERO C[C@@H](N[C@H]1CCC[NH2+]C1)c1nncn1C ZINC000043326350 175924984 /nfs/dbraw/zinc/92/49/84/175924984.db2.gz ZSVKUNMMHSUVHO-BDAKNGLRSA-N 1 0 209.297 0.218 10 0 BCAERO CC(C)[C@@H]([NH3+])CC(=O)N1CC[C@](C)(C(N)=O)C1 ZINC000232680468 487632502 /nfs/dbraw/zinc/63/25/02/487632502.db2.gz ZNUUGMOAAUTFLB-CABZTGNLSA-N 1 0 241.335 0.084 10 0 BCAERO C[C@@H](OC1CC[NH2+]CC1)C(=O)N1CCOCC1 ZINC000037390596 176002498 /nfs/dbraw/zinc/00/24/98/176002498.db2.gz RTHQETLKROENKU-SNVBAGLBSA-N 1 0 242.319 0.002 10 0 BCAERO C[C@@H](O[C@@H]1CCC[NH2+]C1)C(=O)N1CCCC1 ZINC000020422809 176002990 /nfs/dbraw/zinc/00/29/90/176002990.db2.gz KVTJZARWEFINSA-GHMZBOCLSA-N 1 0 226.320 0.766 10 0 BCAERO C[C@@H]([C@@H]1CCC[NH2+]C1)N1C(=O)C=CC1=O ZINC000050164379 176011752 /nfs/dbraw/zinc/01/17/52/176011752.db2.gz KVPYAGRFZQKCLI-DTWKUNHWSA-N 1 0 208.261 0.300 10 0 BCAERO C[C@@H]([C@@H]1CCC[NH2+]C1)N1C(=O)CCCC1=O ZINC000035691744 176011755 /nfs/dbraw/zinc/01/17/55/176011755.db2.gz VOOASFDSTQCJBS-VHSXEESVSA-N 1 0 224.304 0.914 10 0 BCAERO C[C@@H]([C@H]1CCCC[NH2+]1)N1C(=O)C[C@@H](C)C1=O ZINC000216527333 176012511 /nfs/dbraw/zinc/01/25/11/176012511.db2.gz ABVPOOWFTDLLBE-KXUCPTDWSA-N 1 0 224.304 0.912 10 0 BCAERO C[C@@H](c1ccccn1)N1C[C@@H]([NH3+])CC1=O ZINC000035695671 176028351 /nfs/dbraw/zinc/02/83/51/176028351.db2.gz INIYBDJMQLJBFN-IUCAKERBSA-N 1 0 205.261 0.702 10 0 BCAERO C[C@@H](c1cccnc1)N1CC[C@H]([NH3+])C1=O ZINC000049648714 176030895 /nfs/dbraw/zinc/03/08/95/176030895.db2.gz STBLYCOEKCZOQL-WPRPVWTQSA-N 1 0 205.261 0.702 10 0 BCAERO C[C@@H]1CCCCN1C(=O)CN1CCC[C@H]1C[NH3+] ZINC000251565129 176066683 /nfs/dbraw/zinc/06/66/83/176066683.db2.gz AMAPIQLOKKTPNJ-NEPJUHHUSA-N 1 0 239.363 0.811 10 0 BCAERO C[C@@H]1CCCC[N@@H+]1C[C@H](O)CN1CCCC1=O ZINC000111682880 176072891 /nfs/dbraw/zinc/07/28/91/176072891.db2.gz NQZBXRVPCXRLGY-NEPJUHHUSA-N 1 0 240.347 0.844 10 0 BCAERO C[C@@H]1CCCCN1S(=O)(=O)CCCC[NH3+] ZINC000020180157 176074350 /nfs/dbraw/zinc/07/43/50/176074350.db2.gz LJHVXRKTFMEZJV-SNVBAGLBSA-N 1 0 234.365 0.930 10 0 BCAERO C[C@@H]1CCCC[C@@H]1CNC(=O)[C@@H]1C[NH2+]CCN1 ZINC000062813288 176076891 /nfs/dbraw/zinc/07/68/91/176076891.db2.gz MTVMYTXYTSJJPH-UTUOFQBUSA-N 1 0 239.363 0.490 10 0 BCAERO C[C@@H]1CCCC[C@@H]1[NH2+]CCS(N)(=O)=O ZINC000036745451 176080906 /nfs/dbraw/zinc/08/09/06/176080906.db2.gz SRLMWIWRIOZTBD-BDAKNGLRSA-N 1 0 220.338 0.443 10 0 BCAERO C[C@@H]1CCCN(C(=O)N2CC[NH2+]CC2)C1 ZINC000021954229 176093261 /nfs/dbraw/zinc/09/32/61/176093261.db2.gz YMCLALHKXQPEGJ-SNVBAGLBSA-N 1 0 211.309 0.744 10 0 BCAERO C[C@@H]1CCCN(S(=O)(=O)C[C@@H]2CCC[NH2+]2)C1 ZINC000049632108 176103698 /nfs/dbraw/zinc/10/36/98/176103698.db2.gz AELBIZWFMYRLLX-MNOVXSKESA-N 1 0 246.376 0.800 10 0 BCAERO C[C@@H]1CCC[NH2+][C@H]1C(=O)Nc1ccnn1C ZINC000051794830 176112848 /nfs/dbraw/zinc/11/28/48/176112848.db2.gz ZEELILIWXNHVQN-PSASIEDQSA-N 1 0 222.292 0.747 10 0 BCAERO C[C@@H]1CCC[C@@H](CN2C(=O)CCC2=O)[NH2+]1 ZINC000051574915 176117866 /nfs/dbraw/zinc/11/78/66/176117866.db2.gz TUEHHKFOJRFRLL-BDAKNGLRSA-N 1 0 210.277 0.666 10 0 BCAERO C[C@@H]1CCC[C@@](CO)(NC(=O)C[NH3+])C1 ZINC000053127591 176134132 /nfs/dbraw/zinc/13/41/32/176134132.db2.gz PWMOMEYHGACXAL-PSASIEDQSA-N 1 0 200.282 0.003 10 0 BCAERO C[C@@H]1CCC[C@H](N(C)S(=O)(=O)CC[NH3+])C1 ZINC000042494529 176140989 /nfs/dbraw/zinc/14/09/89/176140989.db2.gz WRKYJVZFWLRIPZ-ZJUUUORDSA-N 1 0 234.365 0.785 10 0 BCAERO CC(C)[C@@H]([NH3+])CC(=O)N1CCC([C@H](C)O)CC1 ZINC000232679312 487632978 /nfs/dbraw/zinc/63/29/78/487632978.db2.gz QCKGZZJIODHAHX-JQWIXIFHSA-N 1 0 242.363 0.979 10 0 BCAERO C[C@@H]1CCC[C@](CO)([NH+]2CCNCC2)C1 ZINC000038120548 176152050 /nfs/dbraw/zinc/15/20/50/176152050.db2.gz BSTHJHXVKRMGJB-NEPJUHHUSA-N 1 0 212.337 0.833 10 0 BCAERO C[C@@H]1CCN(C(=O)[C@@H]2CCCO2)[C@@H](C[NH3+])C1 ZINC000235312046 176160456 /nfs/dbraw/zinc/16/04/56/176160456.db2.gz XHDRXZLGLBJNLN-MXWKQRLJSA-N 1 0 226.320 0.751 10 0 BCAERO C[C@@H]1CCN(C(=O)c2ncccc2O)[C@@H](C[NH3+])C1 ZINC000235349160 176164958 /nfs/dbraw/zinc/16/49/58/176164958.db2.gz OBZKNAUMERICNX-NXEZZACHSA-N 1 0 249.314 0.987 10 0 BCAERO CC(C)(C)[C@@H](O)CNC(=O)C[C@H]1CCC[NH2+]C1 ZINC000324592770 487633107 /nfs/dbraw/zinc/63/31/07/487633107.db2.gz FGMTZTFWBJZQSX-MNOVXSKESA-N 1 0 242.363 0.899 10 0 BCAERO C[C@@H]1CCN(c2nccn3cnnc23)[C@H](C[NH3+])C1 ZINC000261551944 176182603 /nfs/dbraw/zinc/18/26/03/176182603.db2.gz ZAFBSWWQZVOALI-ZJUUUORDSA-N 1 0 246.318 0.688 10 0 BCAERO C[C@@H]1CC[C@@H](C(=O)N2CCN(C)CC2)C[C@@H]1[NH3+] ZINC000055122074 176194754 /nfs/dbraw/zinc/19/47/54/176194754.db2.gz QZBINSZTMQHTII-UTUOFQBUSA-N 1 0 239.363 0.524 10 0 BCAERO C[C@@H]1CC[C@@H](C(=O)NC2CCC(O)CC2)C[NH2+]1 ZINC000019477117 176195235 /nfs/dbraw/zinc/19/52/35/176195235.db2.gz UJFDWLUKNURCDT-QYNFOATHSA-N 1 0 240.347 0.794 10 0 BCAERO C[C@@H]1CC[C@@H](C(=O)Nc2ccnn2C)C[NH2+]1 ZINC000044593821 176196825 /nfs/dbraw/zinc/19/68/25/176196825.db2.gz WBYWITLWUGCCOC-RKDXNWHRSA-N 1 0 222.292 0.747 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)N2CCC(O)CC2)C[C@@H]1[NH3+] ZINC000055123845 176219620 /nfs/dbraw/zinc/21/96/20/176219620.db2.gz PUNMNRASVMCESD-SCVCMEIPSA-N 1 0 240.347 0.733 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)NC2CCC(O)CC2)C[NH2+]1 ZINC000019477121 176220858 /nfs/dbraw/zinc/22/08/58/176220858.db2.gz UJFDWLUKNURCDT-QKEWWQLBSA-N 1 0 240.347 0.794 10 0 BCAERO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1[C@@H]1CCCC[C@@H]1O ZINC000042438557 176222392 /nfs/dbraw/zinc/22/23/92/176222392.db2.gz YOWWWDQNCODNAQ-KXNHARMFSA-N 1 0 240.347 0.876 10 0 BCAERO C[C@@H]1CC[C@H](OCC(=O)N2CCCC2)C[NH2+]1 ZINC000050211481 176235513 /nfs/dbraw/zinc/23/55/13/176235513.db2.gz MCZVLRPWUXXMDB-MNOVXSKESA-N 1 0 226.320 0.766 10 0 BCAERO C[C@@H]1CN(C(=O)C2([NH3+])CCCC2)[C@H](C)CO1 ZINC000037479504 176242718 /nfs/dbraw/zinc/24/27/18/176242718.db2.gz HOWVDQNHJYTECV-NXEZZACHSA-N 1 0 226.320 0.894 10 0 BCAERO C[C@@H]1CN(C(=O)C2=COCCO2)[C@H](C)C[NH2+]1 ZINC000083118209 176243210 /nfs/dbraw/zinc/24/32/10/176243210.db2.gz XOOJTOSOKSLCTB-RKDXNWHRSA-N 1 0 226.276 0.083 10 0 BCAERO C[C@@H]1CN(C(=O)C2(C)C[NH2+]C2)CCS1 ZINC000307120179 176243328 /nfs/dbraw/zinc/24/33/28/176243328.db2.gz HFNOMAMQYWYTNS-MRVPVSSYSA-N 1 0 214.334 0.560 10 0 BCAERO C[C@@H]1CN(C(=O)C[C@@H]2CCC[NH2+]2)C[C@@H](C)O1 ZINC000042165339 176248056 /nfs/dbraw/zinc/24/80/56/176248056.db2.gz VUNWRKQAFIKDBB-MXWKQRLJSA-N 1 0 226.320 0.764 10 0 BCAERO C[C@@H]1CN(C(=O)NC2CCC2)[C@H](C)C[NH2+]1 ZINC000128009827 176250490 /nfs/dbraw/zinc/25/04/90/176250490.db2.gz UUYZQJASIRMWPV-RKDXNWHRSA-N 1 0 211.309 0.931 10 0 BCAERO C[C@@H]1CN(C(=O)[C@@](C)([NH3+])C2CC2)CCO1 ZINC000037478739 176256873 /nfs/dbraw/zinc/25/68/73/176256873.db2.gz HYMSCCRHLYEWGA-KCJUWKMLSA-N 1 0 212.293 0.361 10 0 BCAERO C[C@@H]1CN(C(=O)[C@]2(C)CCC[NH2+]C2)CCN1C ZINC000104126150 176258782 /nfs/dbraw/zinc/25/87/82/176258782.db2.gz AASQUTYLUTYHIG-DGCLKSJQSA-N 1 0 239.363 0.539 10 0 BCAERO C[C@@H]1CN(C(=O)c2n[nH]c3ccccc32)C[C@H]1[NH3+] ZINC000235364729 176259262 /nfs/dbraw/zinc/25/92/62/176259262.db2.gz CEQPJBGNWIAFQM-PSASIEDQSA-N 1 0 244.298 0.982 10 0 BCAERO C[C@@H]1CN(C(=O)c2cc[nH]c(=O)c2)C[C@@H]1[NH+](C)C ZINC000230196396 176260759 /nfs/dbraw/zinc/26/07/59/176260759.db2.gz QVJVMDRRVQHNQY-KOLCDFICSA-N 1 0 249.314 0.397 10 0 BCAERO C[C@@H]1CN(C(=O)c2cccn2C)C[C@@H]1[NH3+] ZINC000235370196 176262866 /nfs/dbraw/zinc/26/28/66/176262866.db2.gz MHISROBBPMLFPQ-BDAKNGLRSA-N 1 0 207.277 0.444 10 0 BCAERO C[C@@H]1CN(C(=O)c2ccncc2F)C[C@@H]1[NH3+] ZINC000235374616 176263466 /nfs/dbraw/zinc/26/34/66/176263466.db2.gz VCCANGDCYRFNTF-XCBNKYQSSA-N 1 0 223.251 0.640 10 0 BCAERO C[C@@H]1CN(C(=O)n2cc[n+](C)c2)CCCO1 ZINC000061920638 176265558 /nfs/dbraw/zinc/26/55/58/176265558.db2.gz XBHTXGQMIVOHCI-SNVBAGLBSA-N 1 0 224.284 0.392 10 0 BCAERO C[C@@H]1CN(C(=O)c2ncccc2O)C[C@@H]1[NH+](C)C ZINC000089710430 176265903 /nfs/dbraw/zinc/26/59/03/176265903.db2.gz XOIXVPUJBLPMRR-ZJUUUORDSA-N 1 0 249.314 0.809 10 0 BCAERO C[C@@H]1CN(C)CCN1C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000227433260 176266457 /nfs/dbraw/zinc/26/64/57/176266457.db2.gz DLJSDBPXRHDTFW-IJLUTSLNSA-N 1 0 239.363 0.524 10 0 BCAERO C[C@@H]1CN(CC[NH2+]C[C@@H]2CCCO2)CCCO1 ZINC000061936565 176291210 /nfs/dbraw/zinc/29/12/10/176291210.db2.gz SWFMIGLRFCCIJC-OLZOCXBDSA-N 1 0 242.363 0.866 10 0 BCAERO C[C@@H]1C[N@H+](CCn2cc(N)cn2)CCCO1 ZINC000061913095 176295900 /nfs/dbraw/zinc/29/59/00/176295900.db2.gz WWUQVHRAABLGHX-SNVBAGLBSA-N 1 0 224.308 0.576 10 0 BCAERO C[C@@H]1CN([C@@H](C[NH3+])c2ccncc2)CCO1 ZINC000043352927 176316017 /nfs/dbraw/zinc/31/60/17/176316017.db2.gz WOAYDKSOBUWKNJ-PWSUYJOCSA-N 1 0 221.304 0.802 10 0 BCAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccnnc1 ZINC000131734282 176322703 /nfs/dbraw/zinc/32/27/03/176322703.db2.gz YEBUMYGRUOYNSO-ZYHUDNBSSA-N 1 0 246.314 0.785 10 0 BCAERO C[C@@H]1C[NH+]=C(NC[C@@H]2CCS(=O)(=O)C2)S1 ZINC000050602956 176323880 /nfs/dbraw/zinc/32/38/80/176323880.db2.gz UPNAJXONTWBNIU-SFYZADRCSA-N 1 0 248.373 0.502 10 0 BCAERO C[C@@H]1C[NH2+]CCN1CCO[C@@H]1CCCCO1 ZINC000054374610 176327141 /nfs/dbraw/zinc/32/71/41/176327141.db2.gz LYJNSGBQCQGLRN-VXGBXAGGSA-N 1 0 228.336 0.823 10 0 BCAERO C[C@@H]1C[NH2+]CC[C@@]1(Nc1ccccc1)C(N)=O ZINC000033605082 176327680 /nfs/dbraw/zinc/32/76/80/176327680.db2.gz AYSXUQVRTPEXOH-MFKMUULPSA-N 1 0 233.315 0.952 10 0 BCAERO C[C@@H]1C[NH2+]C[C@@H](C)OCCOCCOCCO1 ZINC000038634580 176328997 /nfs/dbraw/zinc/32/89/97/176328997.db2.gz HXTDELPHJPMEDJ-VXGBXAGGSA-N 1 0 247.335 0.433 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N1C[C@@H](C)OC(C)(C)C1 ZINC000223921550 176329719 /nfs/dbraw/zinc/32/97/19/176329719.db2.gz OHWWJLOTJFPPJH-GMTAPVOTSA-N 1 0 240.347 0.868 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@H]1CCCC[C@@H]1O ZINC000227323029 176329849 /nfs/dbraw/zinc/32/98/49/176329849.db2.gz WCWKDXVEZXARAW-ZNSHCXBVSA-N 1 0 226.320 0.262 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N(C)CC1CCOCC1 ZINC000111273024 176329864 /nfs/dbraw/zinc/32/98/64/176329864.db2.gz AJBVDNIPEWICRG-ZYHUDNBSSA-N 1 0 240.347 0.727 10 0 BCAERO C[C@H](NC(=O)[C@@H]1C[NH2+]C[C@H]1C)[C@H]1CCCO1 ZINC000235294095 176329952 /nfs/dbraw/zinc/32/99/52/176329952.db2.gz MUCOIFAFYZNPMI-LMLFDSFASA-N 1 0 226.320 0.526 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1ccc(N(C)C)nc1 ZINC000104222193 176330060 /nfs/dbraw/zinc/33/00/60/176330060.db2.gz HCVBMAOVXDNOKQ-MWLCHTKSSA-N 1 0 248.330 0.942 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)NCC[C@@H]1CCCCO1 ZINC000224067498 176330299 /nfs/dbraw/zinc/33/02/99/176330299.db2.gz JEVQSNSOBQHXAJ-GRYCIOLGSA-N 1 0 240.347 0.917 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@H]1CCCC[C@H]1O ZINC000235291422 176330305 /nfs/dbraw/zinc/33/03/05/176330305.db2.gz WPRHUJCINSVNKR-DDHJBXDOSA-N 1 0 240.347 0.509 10 0 BCAERO C[C@@H]1CN[C@@H](C(=O)N2CCCCCCC2)C[NH2+]1 ZINC000062814294 176330847 /nfs/dbraw/zinc/33/08/47/176330847.db2.gz LJHGGBOTJYQAHE-VXGBXAGGSA-N 1 0 239.363 0.729 10 0 BCAERO C[C@@H]1COCCN1C(=O)C1([NH3+])CCCC1 ZINC000037479501 176334325 /nfs/dbraw/zinc/33/43/25/176334325.db2.gz GTXHDCLKNLTXNK-SECBINFHSA-N 1 0 212.293 0.505 10 0 BCAERO C[C@@H]1COCCN1C(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000070252473 176334641 /nfs/dbraw/zinc/33/46/41/176334641.db2.gz MKIMJSJGGFQLHD-GHMZBOCLSA-N 1 0 238.331 0.623 10 0 BCAERO C[C@@H]1CSC(N[C@H]2CCS(=O)(=O)C2)=[NH+]1 ZINC000035294818 176348721 /nfs/dbraw/zinc/34/87/21/176348721.db2.gz VRYCSPATLXYGRR-RQJHMYQMSA-N 1 0 234.346 0.254 10 0 BCAERO C[C@@H]1CSCCN1C(=O)[C@H]1CC[NH2+]C1 ZINC000069761848 176350370 /nfs/dbraw/zinc/35/03/70/176350370.db2.gz OXEOTIOQHMCZDZ-BDAKNGLRSA-N 1 0 214.334 0.560 10 0 BCAERO C[C@@H]1C[C@@H](NC(=O)N2CCCC2)C[N@@H+]1C ZINC000199937749 176373900 /nfs/dbraw/zinc/37/39/00/176373900.db2.gz AZBFJBJXUQUQLF-NXEZZACHSA-N 1 0 211.309 0.884 10 0 BCAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]C[C@H](O)C(C)(C)C ZINC000336678384 176456094 /nfs/dbraw/zinc/45/60/94/176456094.db2.gz BRALDIPICUUSCY-AEJSXWLSSA-N 1 0 228.336 0.650 10 0 BCAERO C[C@@H]1CC[C@H](C[NH2+][C@@H]2CCC(=O)N[C@H]2C)O1 ZINC000336780237 176456207 /nfs/dbraw/zinc/45/62/07/176456207.db2.gz QRBQLXAPZFFSJD-LMLFDSFASA-N 1 0 226.320 0.811 10 0 BCAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)NC1CCC1 ZINC000127907280 176459608 /nfs/dbraw/zinc/45/96/08/176459608.db2.gz URQLBJWVIVQJBY-WCBMZHEXSA-N 1 0 211.309 0.979 10 0 BCAERO C[C@@H]1OCC[C@@H]1NC(=O)[C@]1(C)CCC[NH2+]C1 ZINC000134257935 176471439 /nfs/dbraw/zinc/47/14/39/176471439.db2.gz FQGHOJLYPCUNSD-JBLDHEPKSA-N 1 0 226.320 0.670 10 0 BCAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)c1ccncc1 ZINC000335552862 176494154 /nfs/dbraw/zinc/49/41/54/176494154.db2.gz LDHIJMRAYIQJAX-SCZZXKLOSA-N 1 0 205.261 0.643 10 0 BCAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)c1cnn2ccccc12 ZINC000310822681 176494699 /nfs/dbraw/zinc/49/46/99/176494699.db2.gz XJYCVYHHRTVGJJ-KOLCDFICSA-N 1 0 244.298 0.896 10 0 BCAERO C[C@@]1(C(=O)NC[C@@H]2CCOC2)CCC[NH2+]C1 ZINC000062856063 176524906 /nfs/dbraw/zinc/52/49/06/176524906.db2.gz LHBYKIOBONAFFY-CMPLNLGQSA-N 1 0 226.320 0.529 10 0 BCAERO C[C@H](C1CC[NH2+]CC1)N1CCCS1(=O)=O ZINC000035688607 176595851 /nfs/dbraw/zinc/59/58/51/176595851.db2.gz NTOYESYYIRMKSS-SECBINFHSA-N 1 0 232.349 0.410 10 0 BCAERO C[C@H](CN(C)c1nccn(C2CC2)c1=O)C(N)=[NH2+] ZINC000061761905 176655012 /nfs/dbraw/zinc/65/50/12/176655012.db2.gz ODUBCWQOVBRHRT-MRVPVSSYSA-N 1 0 249.318 0.586 10 0 BCAERO C[C@H](C[NH3+])Nc1nc2c(cc1C(N)=O)CCCC2 ZINC000104207238 176662065 /nfs/dbraw/zinc/66/20/65/176662065.db2.gz DOJPIGPLVJQMKD-MRVPVSSYSA-N 1 0 248.330 0.818 10 0 BCAERO C[C@H](Cc1ccco1)NC(=O)[C@@H]1CC[NH2+]C1 ZINC000062113610 176725305 /nfs/dbraw/zinc/72/53/05/176725305.db2.gz LEZCQSMVKCJVBU-NXEZZACHSA-N 1 0 222.288 0.936 10 0 BCAERO C[C@H]([NH3+])C(=O)Nc1ccc(NC(N)=O)cc1 ZINC000037041261 176752116 /nfs/dbraw/zinc/75/21/16/176752116.db2.gz MFYOEOXJIUASOS-LURJTMIESA-N 1 0 222.248 0.463 10 0 BCAERO C[C@H]([NH3+])CC(=O)N1CCOCC1(C)C ZINC000042463015 176755820 /nfs/dbraw/zinc/75/58/20/176755820.db2.gz JOSNPVOPRVPGIK-QMMMGPOBSA-N 1 0 200.282 0.361 10 0 BCAERO C[C@@H](NC(=O)CC[C@H](C)[NH3+])[C@H]1CCCO1 ZINC000251217102 176758612 /nfs/dbraw/zinc/75/86/12/176758612.db2.gz NOKLZSRSKYSFGO-IVZWLZJFSA-N 1 0 214.309 0.798 10 0 BCAERO C[C@H]([NH3+])[C@@H](N1CCS(=O)(=O)CC1)C(C)(C)C ZINC000043292762 176765222 /nfs/dbraw/zinc/76/52/22/176765222.db2.gz LFGCIAZRZAPQOP-VHSXEESVSA-N 1 0 248.392 0.479 10 0 BCAERO C[C@H]([NH3+])[C@H](C)C(=O)NC[C@H]1CCCC[C@@H]1O ZINC000248504537 176769172 /nfs/dbraw/zinc/76/91/72/176769172.db2.gz VMWFVDHXLLDMIJ-MMWGEVLESA-N 1 0 228.336 0.637 10 0 BCAERO C[C@H]([NH3+])c1cccc(NS(N)(=O)=O)c1 ZINC000019478047 176777452 /nfs/dbraw/zinc/77/74/52/176777452.db2.gz ZMZLOORYOQGZJO-LURJTMIESA-N 1 0 215.278 0.322 10 0 BCAERO C[C@H](NC(=O)[C@@H]1CC[NH2+]C1)c1ccncc1 ZINC000062112829 176809491 /nfs/dbraw/zinc/80/94/91/176809491.db2.gz MYWXARXEWJFLOF-GXSJLCMTSA-N 1 0 219.288 0.868 10 0 BCAERO C[C@H](C[NH3+])C(=O)N[C@@H](C)c1ccncc1 ZINC000044801146 176812002 /nfs/dbraw/zinc/81/20/02/176812002.db2.gz QQGNSWWVSQFZBZ-BDAKNGLRSA-N 1 0 207.277 0.854 10 0 BCAERO C[C@H](NS(C)(=O)=O)c1ccc(C[NH3+])cc1 ZINC000037747890 176887120 /nfs/dbraw/zinc/88/71/20/176887120.db2.gz ZNAJVGLFOVUAKH-QMMMGPOBSA-N 1 0 228.317 0.756 10 0 BCAERO C[C@H]([NH2+][C@H]1CC1(C)C)C(=O)N1CCOCC1 ZINC000045119659 176918200 /nfs/dbraw/zinc/91/82/00/176918200.db2.gz XZUQKKZRGQJMQQ-UWVGGRQHSA-N 1 0 226.320 0.622 10 0 BCAERO C[C@H](O)C1CCN(C(=O)[C@@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000226332401 176948390 /nfs/dbraw/zinc/94/83/90/176948390.db2.gz DXAMFMWQQNHQIL-MVWJERBFSA-N 1 0 240.347 0.733 10 0 BCAERO C[C@H](O)[C@@H]([NH3+])c1nc(-c2cccs2)n[nH]1 ZINC000054700164 177006837 /nfs/dbraw/zinc/00/68/37/177006837.db2.gz BGUTVQJLMRBYTH-CAHLUQPWSA-N 1 0 224.289 0.914 10 0 BCAERO C[C@H](O)[C@@H]([NH3+])c1nncn1-c1ccccc1 ZINC000054526782 177007216 /nfs/dbraw/zinc/00/72/16/177007216.db2.gz JMJNJJOFTOXOTH-WCBMZHEXSA-N 1 0 218.260 0.648 10 0 BCAERO C[C@H](O)[C@@H]([NH3+])c1nnc2n1CCCCC2 ZINC000036896179 177007777 /nfs/dbraw/zinc/00/77/77/177007777.db2.gz VOGMIVHLSHZGPW-IONNQARKSA-N 1 0 210.281 0.385 10 0 BCAERO C[C@H](OCC(F)(F)F)C(=O)N1CC[NH2+]CC1 ZINC000019485703 177020274 /nfs/dbraw/zinc/02/02/74/177020274.db2.gz MAFSMILGFQODCH-ZETCQYMHSA-N 1 0 240.225 0.386 10 0 BCAERO C[C@H](O[C@@H]1CC[NH2+]C1)C(=O)N1CCCCC1 ZINC000051782274 177021589 /nfs/dbraw/zinc/02/15/89/177021589.db2.gz OUIHUHDIZLBALF-WDEREUQCSA-N 1 0 226.320 0.766 10 0 BCAERO C[C@H](O[C@@H]1CCC[NH2+]C1)C(=O)N(C)C ZINC000020422838 177021799 /nfs/dbraw/zinc/02/17/99/177021799.db2.gz VRADJHFOQVKIBY-DTWKUNHWSA-N 1 0 200.282 0.232 10 0 BCAERO C[C@H]([C@H]1CCC[NH2+]C1)N1C(=O)CCC1=O ZINC000035691755 177031454 /nfs/dbraw/zinc/03/14/54/177031454.db2.gz NAWVBCTXCVIHOK-BDAKNGLRSA-N 1 0 210.277 0.524 10 0 BCAERO C[C@H]([C@H]1CCC[NH2+]C1)N1C(=O)C=CC1=O ZINC000050164384 177031502 /nfs/dbraw/zinc/03/15/02/177031502.db2.gz KVPYAGRFZQKCLI-BDAKNGLRSA-N 1 0 208.261 0.300 10 0 BCAERO C[C@H]1CC(=O)N(CCC[C@@H]2CCC[NH2+]2)C1=O ZINC000052764888 177061699 /nfs/dbraw/zinc/06/16/99/177061699.db2.gz DVDYPJPWUCBOJH-UWVGGRQHSA-N 1 0 224.304 0.914 10 0 BCAERO C[C@H]1CC([NH2+]CCOCCO)C[C@H](C)O1 ZINC000096033744 177065154 /nfs/dbraw/zinc/06/51/54/177065154.db2.gz NCSQGVIJZPJBPS-UWVGGRQHSA-N 1 0 217.309 0.541 10 0 BCAERO C[C@H](C(=O)N1CCCC[C@@H]1C)N1CC[NH2+]CC1 ZINC000020521093 177073340 /nfs/dbraw/zinc/07/33/40/177073340.db2.gz AGZSMWWXFDTVPR-NWDGAFQWSA-N 1 0 239.363 0.681 10 0 BCAERO CC(C)(C)[C@H](O)CNC(=O)[C@H]([NH3+])CC(F)F ZINC000324645069 487636942 /nfs/dbraw/zinc/63/69/42/487636942.db2.gz YNGFYYLEAQSQRZ-RNFRBKRXSA-N 1 0 238.278 0.492 10 0 BCAERO C[C@H]1CCCN(S(=O)(=O)C[C@@H]2CCC[NH2+]2)C1 ZINC000049632109 177104386 /nfs/dbraw/zinc/10/43/86/177104386.db2.gz AELBIZWFMYRLLX-QWRGUYRKSA-N 1 0 246.376 0.800 10 0 BCAERO C[C@@H](C(=O)N1CC[NH2+]CC1)[N@@H+]1CCC[C@@H]1C ZINC000037910918 177111599 /nfs/dbraw/zinc/11/15/99/177111599.db2.gz QRAKTMRXFPONMW-QWRGUYRKSA-N 1 0 225.336 0.291 10 0 BCAERO C[C@H]1CCC[NH2+][C@H]1C(=O)NCCn1cccn1 ZINC000051793635 177112485 /nfs/dbraw/zinc/11/24/85/177112485.db2.gz LANAIRBJVRXZEG-WDEREUQCSA-N 1 0 236.319 0.387 10 0 BCAERO C[C@H]1CCC[NH2+][C@H]1C(=O)NCc1cnn(C)c1 ZINC000051813119 177112632 /nfs/dbraw/zinc/11/26/32/177112632.db2.gz MHCDNQBDFYZSNE-GXSJLCMTSA-N 1 0 236.319 0.424 10 0 BCAERO C[C@H]1CCC[C@@H](C(=O)N(C)CC(=O)N(C)C)[NH2+]1 ZINC000037271827 177112695 /nfs/dbraw/zinc/11/26/95/177112695.db2.gz PXALMWLYASXZGF-UWVGGRQHSA-N 1 0 241.335 0.064 10 0 BCAERO C[C@H]1CCC[NH2+][C@H]1C(=O)Nc1ccnn1C ZINC000051794833 177112870 /nfs/dbraw/zinc/11/28/70/177112870.db2.gz ZEELILIWXNHVQN-WCBMZHEXSA-N 1 0 222.292 0.747 10 0 BCAERO C[C@H]1CCC[NH2+][C@H]1C(=O)N1CCCOCC1 ZINC000061933219 177112936 /nfs/dbraw/zinc/11/29/36/177112936.db2.gz AHINUWNJMXTIKG-WDEREUQCSA-N 1 0 226.320 0.623 10 0 BCAERO C[C@H]1CCC[NH2+][C@@H]1C(=O)N1CCOCC1 ZINC000051791946 177113146 /nfs/dbraw/zinc/11/31/46/177113146.db2.gz JMGPBRPDUMTQKQ-UWVGGRQHSA-N 1 0 212.293 0.233 10 0 BCAERO C[C@H]1CCC[C@@H]1[NH2+][C@@H]1CCS(=O)(=O)C1 ZINC000070829029 177126862 /nfs/dbraw/zinc/12/68/62/177126862.db2.gz IKFBCOUHOSRGOR-AEJSXWLSSA-N 1 0 217.334 0.952 10 0 BCAERO C[C@H]1CCC[C@@](CO)([NH2+]CC(N)=O)C1 ZINC000053126872 177127317 /nfs/dbraw/zinc/12/73/17/177127317.db2.gz BCSSAQAFIGBDKQ-WCBMZHEXSA-N 1 0 200.282 0.003 10 0 BCAERO C[C@H]1CCC[C@H](C(=O)N2CCOC[C@@H]2C)[C@@H]1[NH3+] ZINC000055127623 177129197 /nfs/dbraw/zinc/12/91/97/177129197.db2.gz XUYMMGLIDJVWOE-FIQHERPVSA-N 1 0 240.347 0.997 10 0 BCAERO C[C@H]1CCC[C@H](C)N1S(=O)(=O)CCC[NH3+] ZINC000037719396 177132156 /nfs/dbraw/zinc/13/21/56/177132156.db2.gz SLJISJPAKOHUFH-UWVGGRQHSA-N 1 0 234.365 0.928 10 0 BCAERO C[C@H]1CCC[C@H](N(C)C(=O)[C@@H]2C[NH2+]CCN2)C1 ZINC000062813015 177134353 /nfs/dbraw/zinc/13/43/53/177134353.db2.gz ICYQFTZMVYUDCZ-SRVKXCTJSA-N 1 0 239.363 0.585 10 0 BCAERO C[C@H]1CCN(C(=O)N2CCN(CCO)CC2)C1 ZINC000334479409 177148895 /nfs/dbraw/zinc/14/88/95/177148895.db2.gz SRWFUFUKPYYVFK-NSHDSACASA-N 1 0 241.335 0.058 10 0 BCAERO C[C@H]1CCN(CC(=O)N(C)C)[C@@H](C[NH3+])C1 ZINC000224841445 177156958 /nfs/dbraw/zinc/15/69/58/177156958.db2.gz YOOLSLXDFGGYIB-VHSXEESVSA-N 1 0 213.325 0.134 10 0 BCAERO C[C@H]1CCN(CCS(C)(=O)=O)CC[C@H](C)[NH2+]1 ZINC000049662696 177160931 /nfs/dbraw/zinc/16/09/31/177160931.db2.gz JBPRSHFAKYABCO-QWRGUYRKSA-N 1 0 248.392 0.493 10 0 BCAERO C[C@H]1CC[N@H+](CCn2cc(N)ccc2=O)C1 ZINC000040716941 177162566 /nfs/dbraw/zinc/16/25/66/177162566.db2.gz OSWZLJJHRATRDD-JTQLQIEISA-N 1 0 221.304 0.772 10 0 BCAERO C[C@H]1CCN(S(=O)(=O)CCC[NH3+])C1 ZINC000040724326 177169206 /nfs/dbraw/zinc/16/92/06/177169206.db2.gz AVSSWFDEHMMDED-QMMMGPOBSA-N 1 0 206.311 0.007 10 0 BCAERO C[C@H]1CCN(S(=O)(=O)C2CC[NH2+]CC2)C1 ZINC000049644390 177169218 /nfs/dbraw/zinc/16/92/18/177169218.db2.gz ZTIKISGGMOJBFJ-VIFPVBQESA-N 1 0 232.349 0.410 10 0 BCAERO C[C@H]1CCN([C@@H](C[NH3+])c2cnn(C)c2)C1 ZINC000040717289 177170113 /nfs/dbraw/zinc/17/01/13/177170113.db2.gz BIUHEGHKIKGFFE-ONGXEEELSA-N 1 0 208.309 0.762 10 0 BCAERO C[C@H]1CC[C@@H](C(=O)N2CCCOCC2)C[NH2+]1 ZINC000061933215 177180803 /nfs/dbraw/zinc/18/08/03/177180803.db2.gz ONKRAPNFLLLJSZ-WDEREUQCSA-N 1 0 226.320 0.623 10 0 BCAERO C[C@H]1CC[C@@H](OCC(=O)N(C)C)C[NH2+]1 ZINC000050211492 177194287 /nfs/dbraw/zinc/19/42/87/177194287.db2.gz PAJUDRGCUKZHQI-DTWKUNHWSA-N 1 0 200.282 0.232 10 0 BCAERO C[C@H]1CC[C@H](C(=O)NC2CCOCC2)C[NH2+]1 ZINC000036319913 177197024 /nfs/dbraw/zinc/19/70/24/177197024.db2.gz NCQLMRRFGRBQSN-UWVGGRQHSA-N 1 0 226.320 0.670 10 0 BCAERO C[C@H]1CC[C@H]([NH3+])C[C@@H]1C(=O)NC(C)(C)C(N)=O ZINC000055136376 177203874 /nfs/dbraw/zinc/20/38/74/177203874.db2.gz MHWXPSGNAMOJJB-CIUDSAMLSA-N 1 0 241.335 0.130 10 0 BCAERO C[C@H]1CN(C(=O)C[NH2+]CC2CC2)C[C@H](C)O1 ZINC000037478054 177216563 /nfs/dbraw/zinc/21/65/63/177216563.db2.gz JYFJQGBNYMYZPO-UWVGGRQHSA-N 1 0 226.320 0.622 10 0 BCAERO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)NC1CCC1 ZINC000128010266 177219749 /nfs/dbraw/zinc/21/97/49/177219749.db2.gz UUYZQJASIRMWPV-DTWKUNHWSA-N 1 0 211.309 0.931 10 0 BCAERO C[C@H]1CN(C(=O)N2CC[NH2+]CC2)C[C@H](C)O1 ZINC000022145137 177219849 /nfs/dbraw/zinc/21/98/49/177219849.db2.gz OUTHTUPIRRKWCP-UWVGGRQHSA-N 1 0 227.308 0.121 10 0 BCAERO C[C@@H](C[NH3+])C(=O)N1C[C@H](C)OC[C@@H]1C ZINC000044801548 177222445 /nfs/dbraw/zinc/22/24/45/177222445.db2.gz ZSLDMMZFBRYLSR-CIUDSAMLSA-N 1 0 200.282 0.217 10 0 BCAERO C[C@H]1C[N@H+](CCCC(N)=S)CCO1 ZINC000019485874 177247630 /nfs/dbraw/zinc/24/76/30/177247630.db2.gz ILYHSVQELVQLSQ-QMMMGPOBSA-N 1 0 202.323 0.773 10 0 BCAERO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)[C@@H]1CCCO1 ZINC000062570550 177223144 /nfs/dbraw/zinc/22/31/44/177223144.db2.gz YADYLRYPZVVJPG-AEJSXWLSSA-N 1 0 212.293 0.374 10 0 BCAERO C[C@H]1CN(C(=O)c2cn[nH]c2)C[C@@H]1[NH+](C)C ZINC000089710373 177230691 /nfs/dbraw/zinc/23/06/91/177230691.db2.gz DQCNJSRLZRIMFT-WPRPVWTQSA-N 1 0 222.292 0.432 10 0 BCAERO C[C@H]1CN(C(=O)c2ncccc2O)C[C@@H]1[NH+](C)C ZINC000089710431 177231575 /nfs/dbraw/zinc/23/15/75/177231575.db2.gz XOIXVPUJBLPMRR-UWVGGRQHSA-N 1 0 249.314 0.809 10 0 BCAERO C[C@H]1CN(CC(=O)c2ccc[nH]2)CC[NH2+]1 ZINC000095069476 177243200 /nfs/dbraw/zinc/24/32/00/177243200.db2.gz ROELOYRGAPTLRU-VIFPVBQESA-N 1 0 207.277 0.491 10 0 BCAERO C[C@H]1CN(CC(=O)Nc2ccccc2)C[C@@H]1[NH3+] ZINC000235655778 177243397 /nfs/dbraw/zinc/24/33/97/177243397.db2.gz RWMIAYFNOQDWBI-JQWIXIFHSA-N 1 0 233.315 0.904 10 0 BCAERO C[C@H]1CN(CC(=O)N2CCCCCC2)C[C@@H]1[NH3+] ZINC000235643688 177244410 /nfs/dbraw/zinc/24/44/10/177244410.db2.gz LDTDXFPYFLWWDX-RYUDHWBXSA-N 1 0 239.363 0.668 10 0 BCAERO C[C@@H]1CN(CC2(C[NH3+])CCOCC2)C[C@H](C)O1 ZINC000052180779 177245761 /nfs/dbraw/zinc/24/57/61/177245761.db2.gz KFBUJWIQXGDVPX-TXEJJXNPSA-N 1 0 242.363 0.851 10 0 BCAERO C[C@H]1CN(CCc2cccnc2)C[C@@H]1[NH3+] ZINC000235649832 177256009 /nfs/dbraw/zinc/25/60/09/177256009.db2.gz FTQSGMDAIISNIO-JQWIXIFHSA-N 1 0 205.305 0.903 10 0 BCAERO C[C@H]1CN(Cc2ccc(C(N)=O)cc2)C[C@@H]1[NH3+] ZINC000235645541 177262529 /nfs/dbraw/zinc/26/25/29/177262529.db2.gz WQPJNAYVUIDYOD-CABZTGNLSA-N 1 0 233.315 0.565 10 0 BCAERO C[C@H]1CN(Cc2cncc(F)c2)C[C@@H]1[NH3+] ZINC000235679706 177268986 /nfs/dbraw/zinc/26/89/86/177268986.db2.gz YDRKLXVSYDYXBF-KWQFWETISA-N 1 0 209.268 1.000 10 0 BCAERO C[C@H]1CN(S(=O)(=O)CC[NH+]2CCCC2)[C@H]1C ZINC000336300211 177273068 /nfs/dbraw/zinc/27/30/68/177273068.db2.gz AQEDHMWPHVEBDK-QWRGUYRKSA-N 1 0 246.376 0.752 10 0 BCAERO C[C@H]1CN(S(=O)(=O)c2cccs2)C[C@@H]1[NH3+] ZINC000235684696 177274489 /nfs/dbraw/zinc/27/44/89/177274489.db2.gz KAXALWILLOVVES-YUMQZZPRSA-N 1 0 246.357 0.716 10 0 BCAERO C[C@H]1CN([C@@H](C[NH3+])c2cnn(C)c2)CCO1 ZINC000020075291 177274854 /nfs/dbraw/zinc/27/48/54/177274854.db2.gz GKGFUQCVKQKPOR-ONGXEEELSA-N 1 0 224.308 0.141 10 0 BCAERO C[C@@H]1CN([C@@H](C[NH3+])c2cnn(C)c2)C[C@H](C)O1 ZINC000020075269 177275625 /nfs/dbraw/zinc/27/56/25/177275625.db2.gz DDIMPPXZEPSHBW-UMNHJUIQSA-N 1 0 238.335 0.529 10 0 BCAERO C[C@H]1C[N@@H+]2C[C@H](O)C[C@@H]2CN1Cc1ccncc1 ZINC000072397580 177279721 /nfs/dbraw/zinc/27/97/21/177279721.db2.gz ZVBFTPDSRCSROH-IACUBPJLSA-N 1 0 247.342 0.721 10 0 BCAERO C[C@H]1C[NH2+]C(C)(C)CN1[C@@H]1CCS(=O)(=O)C1 ZINC000041298188 177281453 /nfs/dbraw/zinc/28/14/53/177281453.db2.gz DZCYVRZCOCMECP-VHSXEESVSA-N 1 0 246.376 0.246 10 0 BCAERO C[C@H]1C[NH2+]CCN1CC(=O)OC(C)(C)C ZINC000054372496 177283587 /nfs/dbraw/zinc/28/35/87/177283587.db2.gz XXGDABGCLDZRFY-VIFPVBQESA-N 1 0 214.309 0.622 10 0 BCAERO C[C@H]1C[NH2+]CCN1Cc1cc(=O)c(O)co1 ZINC000054373402 177284125 /nfs/dbraw/zinc/28/41/25/177284125.db2.gz AFUJDPJVBVNGMS-QMMMGPOBSA-N 1 0 224.260 0.139 10 0 BCAERO C[C@H]1C[NH2+]CCN1CC(=O)N(C)C1=CCCC1 ZINC000054372171 177284154 /nfs/dbraw/zinc/28/41/54/177284154.db2.gz QIYGJWVNDXFZFU-NSHDSACASA-N 1 0 237.347 0.806 10 0 BCAERO C[C@H]1COCCN1C(=O)CC[C@H]1CC[NH2+]C1 ZINC000134481649 177289313 /nfs/dbraw/zinc/28/93/13/177289313.db2.gz HLWIQHLEUCDOFR-QWRGUYRKSA-N 1 0 226.320 0.623 10 0 BCAERO C[C@H]1COCCN1C(=O)C1CCC([NH3+])CC1 ZINC000037482169 177289475 /nfs/dbraw/zinc/28/94/75/177289475.db2.gz VWTAWPJQJKOVOP-WHXUTIOJSA-N 1 0 226.320 0.751 10 0 BCAERO C[C@H]1COCCN1C(=O)[C@H]1CCCC[NH2+]1 ZINC000035776671 177289920 /nfs/dbraw/zinc/28/99/20/177289920.db2.gz LPTIVWZSPSMVLC-VHSXEESVSA-N 1 0 212.293 0.376 10 0 BCAERO C[C@H]1COCCN1C(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000035776635 177290147 /nfs/dbraw/zinc/29/01/47/177290147.db2.gz MELKYENKQRROQJ-WCQYABFASA-N 1 0 248.326 0.804 10 0 BCAERO C[C@@H]1COC[C@H](C)N1C(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000237635129 177298301 /nfs/dbraw/zinc/29/83/01/177298301.db2.gz XAMBDRNGOBQTBL-LMLFDSFASA-N 1 0 226.320 0.750 10 0 BCAERO C[C@H]1CSC(NC2CCS(=O)(=O)CC2)=[NH+]1 ZINC000036332488 177302662 /nfs/dbraw/zinc/30/26/62/177302662.db2.gz ASHKNPJFLBFTPP-ZETCQYMHSA-N 1 0 248.373 0.645 10 0 BCAERO C[C@H]1C[C@@H]1NC(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000262008724 177348232 /nfs/dbraw/zinc/34/82/32/177348232.db2.gz VIRMKMAOUCKZOU-IELRGYKMSA-N 1 0 248.330 0.248 10 0 BCAERO C[C@H]1C[C@@H]1NS(=O)(=O)c1ccc(C[NH3+])s1 ZINC000052295775 177350349 /nfs/dbraw/zinc/35/03/49/177350349.db2.gz RIZYUHLUZUODTL-XPUUQOCRSA-N 1 0 246.357 0.894 10 0 BCAERO C[C@H]1C[C@@H]2C[NH2+]C[C@@H]2N1C(=O)c1ncccc1O ZINC000037760305 177352714 /nfs/dbraw/zinc/35/27/14/177352714.db2.gz PNCHLPPCKXIOEA-AEJSXWLSSA-N 1 0 247.298 0.610 10 0 BCAERO C[C@H]1C[C@H](C)CN(S(=O)(=O)CC[NH3+])C1 ZINC000021950361 177358624 /nfs/dbraw/zinc/35/86/24/177358624.db2.gz LLVVIZRKKMQDDW-IUCAKERBSA-N 1 0 220.338 0.253 10 0 BCAERO C[C@H]1C[C@H]([NH3+])CCN1C1CCS(=O)(=O)CC1 ZINC000049711453 177364053 /nfs/dbraw/zinc/36/40/53/177364053.db2.gz AWEIOIXWDJUYEE-VHSXEESVSA-N 1 0 246.376 0.375 10 0 BCAERO C[C@@H]1C[C@@H]([NH2+]CCOCCO)C[C@H](C)O1 ZINC000238854249 177370296 /nfs/dbraw/zinc/37/02/96/177370296.db2.gz NCSQGVIJZPJBPS-JGPRNRPPSA-N 1 0 217.309 0.541 10 0 BCAERO C[C@H]1C[C@H]1NS(=O)(=O)C1CC[NH2+]CC1 ZINC000052295976 177386258 /nfs/dbraw/zinc/38/62/58/177386258.db2.gz WSEPJMZQHICJFU-IONNQARKSA-N 1 0 218.322 0.066 10 0 BCAERO C[C@H]1NC(=O)CC[C@H]1[NH2+]Cc1cccnc1 ZINC000282497480 177393767 /nfs/dbraw/zinc/39/37/67/177393767.db2.gz WJKPNNWUOQBMSX-MWLCHTKSSA-N 1 0 219.288 0.838 10 0 BCAERO C[C@H]1[NH2+]CCC[C@@H]1NS(=O)(=O)CC1CCC1 ZINC000335587133 177395298 /nfs/dbraw/zinc/39/52/98/177395298.db2.gz VICWHNDMBHFMCF-KOLCDFICSA-N 1 0 246.376 0.846 10 0 BCAERO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)Nc1ccnnc1 ZINC000333373363 177395363 /nfs/dbraw/zinc/39/53/63/177395363.db2.gz VKZPZXRTDYIRRG-SCZZXKLOSA-N 1 0 235.291 0.739 10 0 BCAERO C[C@]([NH3+])(Cc1ccc(C[NH3+])cc1)C(=O)[O-] ZINC000038812497 177444851 /nfs/dbraw/zinc/44/48/51/177444851.db2.gz LUVZSIUWFPNYHM-NSHDSACASA-N 1 0 208.261 0.490 10 0 BCAERO C[C@]([NH3+])(CO)c1ccc2c(c1)OCCO2 ZINC000038124459 177444926 /nfs/dbraw/zinc/44/49/26/177444926.db2.gz QBWGUGPHPHLTQQ-NSHDSACASA-N 1 0 209.245 0.624 10 0 BCAERO C[C@]1(CNc2ccnc(C(N)=O)c2)CCC[NH2+]C1 ZINC000129325920 177463881 /nfs/dbraw/zinc/46/38/81/177463881.db2.gz DXSUEDUZZJYUTE-ZDUSSCGKSA-N 1 0 248.330 0.982 10 0 BCAERO C[S@](=O)c1nc(Cl)cc(CC[NH3+])n1 ZINC000079045994 177497890 /nfs/dbraw/zinc/49/78/90/177497890.db2.gz PWUGMNIXBZRMBS-CYBMUJFWSA-N 1 0 219.697 0.369 10 0 BCAERO Cc1c(C(=O)N(C)C[C@H](C)C[NH3+])cnn1C ZINC000042455241 177560510 /nfs/dbraw/zinc/56/05/10/177560510.db2.gz BIGWWVMTYHKCGM-MRVPVSSYSA-N 1 0 224.308 0.395 10 0 BCAERO Cc1c(NC(=O)C[C@H](C)[NH3+])cccc1C(N)=O ZINC000037608072 177616597 /nfs/dbraw/zinc/61/65/97/177616597.db2.gz ANGIPPSKBRSUSD-ZETCQYMHSA-N 1 0 235.287 0.770 10 0 BCAERO CC(C)OC[C@@H](O)Cn1cc(C(C)(C)[NH3+])nn1 ZINC000070118684 487639836 /nfs/dbraw/zinc/63/98/36/487639836.db2.gz LWDZHDYWTQUNAM-VIFPVBQESA-N 1 0 242.323 0.258 10 0 BCAERO O=C(C[C@@H]1CCC[NH2+]C1)NCC1(CO)CC1 ZINC000168883022 487648621 /nfs/dbraw/zinc/64/86/21/487648621.db2.gz KPHGXUIQCKGTHO-JTQLQIEISA-N 1 0 226.320 0.265 10 0 BCAERO C[C@H]([NH2+]C[C@@H](O)C(C)(C)C)[C@@H]1CC[NH2+]C1 ZINC000400754097 226351307 /nfs/dbraw/zinc/35/13/07/226351307.db2.gz WKUBIDVZUUTCMQ-HBNTYKKESA-N 1 0 214.353 0.981 10 0 BCAERO C[C@H]1C[C@@H](O)C[N@H+](CCCCCO)C1 ZINC000401569168 226359581 /nfs/dbraw/zinc/35/95/81/226359581.db2.gz CYLAMBSLWCBLKB-WDEREUQCSA-N 1 0 201.310 0.852 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)N[C@H]1CCC[C@@H](O)C1 ZINC000228480646 487656677 /nfs/dbraw/zinc/65/66/77/487656677.db2.gz ZCYISDUNWOQFKT-HBNTYKKESA-N 1 0 228.336 0.780 10 0 BCAERO COC[C@H](NC(=O)[C@@H]1C[NH2+]C[C@H]1C)C1CC1 ZINC000397341385 262730842 /nfs/dbraw/zinc/73/08/42/262730842.db2.gz VUXXALDZSWXSGP-IEBDPFPHSA-N 1 0 226.320 0.383 10 0 BCAERO O=C(c1cccs1)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000564841448 322936628 /nfs/dbraw/zinc/93/66/28/322936628.db2.gz XCVGPYMWBHBBDY-DTWKUNHWSA-N 1 0 238.312 0.561 10 0 BCAERO COCCCC(=O)N1CC[C@H]([NH3+])[C@H]1C ZINC000308530659 487665667 /nfs/dbraw/zinc/66/56/67/487665667.db2.gz KRIUDERXNCKSKN-BDAKNGLRSA-N 1 0 200.282 0.361 10 0 BCAERO COc1cc(OC)nc(N(C)C2CC([NH3+])C2)n1 ZINC000394999435 262759414 /nfs/dbraw/zinc/75/94/14/262759414.db2.gz FQTGATOBTBKCOT-UHFFFAOYSA-N 1 0 238.291 0.420 10 0 BCAERO Cc1nnsc1C(=O)NC[C@@H]1CC[NH2+]C1 ZINC000087654963 487675360 /nfs/dbraw/zinc/67/53/60/487675360.db2.gz ZIRVEPZVFBGLPN-SSDOTTSWSA-N 1 0 226.305 0.186 10 0 BCAERO CCOC[C@H](O)C[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000398734525 262767981 /nfs/dbraw/zinc/76/79/81/262767981.db2.gz WSPXADUAVOCIKS-WUHRBBMRSA-N 1 0 243.347 0.477 10 0 BCAERO C[NH2+][C@H](C)C(=O)N[C@H](C)c1ccccn1 ZINC000054072204 487680894 /nfs/dbraw/zinc/68/08/94/487680894.db2.gz QBDPJSZTWUAXLT-RKDXNWHRSA-N 1 0 207.277 0.867 10 0 BCAERO CC(C)[C@@H](C)NC(=O)COC1(C)C[NH2+]C1 ZINC000163074029 487683564 /nfs/dbraw/zinc/68/35/64/487683564.db2.gz BDPULFHCJDBQFR-SECBINFHSA-N 1 0 214.309 0.526 10 0 BCAERO CCN(CC[NH3+])c1cc(C)nc2ncnn21 ZINC000082592003 487686381 /nfs/dbraw/zinc/68/63/81/487686381.db2.gz MWQDYGHFTDIYPA-UHFFFAOYSA-N 1 0 220.280 0.218 10 0 BCAERO C[C@H](NC(=O)[C@@H]1C[NH2+]CCOC1)C1CC1 ZINC000643622031 487685807 /nfs/dbraw/zinc/68/58/07/487685807.db2.gz SKEVFUKMRSLVKM-WCBMZHEXSA-N 1 0 212.293 0.137 10 0 BCAERO CCN(CC(=O)N(C)C)C(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000097093214 487688375 /nfs/dbraw/zinc/68/83/75/487688375.db2.gz GVWNLEPGJSISJU-NXEZZACHSA-N 1 0 241.335 0.051 10 0 BCAERO CCc1ncnc(N2CC[C@@H]3C[NH2+]C[C@@H]32)c1F ZINC000395362312 262787286 /nfs/dbraw/zinc/78/72/86/262787286.db2.gz XRYNQQVTYSATOT-SCZZXKLOSA-N 1 0 236.294 0.976 10 0 BCAERO CO[C@H]1C[NH2+][C@@H](C(=O)NCc2cscn2)C1 ZINC000082626632 487698701 /nfs/dbraw/zinc/69/87/01/487698701.db2.gz GTHFIQZZQBVAOH-RKDXNWHRSA-N 1 0 241.316 0.136 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)N2CCC[C@H]([NH3+])C2)O1 ZINC000088142046 487705365 /nfs/dbraw/zinc/70/53/65/487705365.db2.gz QIMYIAIIECAJKD-KXUCPTDWSA-N 1 0 212.293 0.504 10 0 BCAERO CN1CC[N@@H+]([C@@H]2CCC[C@H]2O)CC1(C)C ZINC000226286576 487706629 /nfs/dbraw/zinc/70/66/29/487706629.db2.gz UKUYKBNDOACBHJ-GHMZBOCLSA-N 1 0 212.337 0.926 10 0 BCAERO CC(=O)N1CCC[N@@H+]([C@@H]2CCC[C@H]2O)CC1 ZINC000226282991 487707158 /nfs/dbraw/zinc/70/71/58/487707158.db2.gz YUCISRYJYCHAAW-VXGBXAGGSA-N 1 0 226.320 0.454 10 0 BCAERO C[C@]1(NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])CCOC1 ZINC000163295037 487707853 /nfs/dbraw/zinc/70/78/53/487707853.db2.gz OKUAJEUDRCGIME-FOGDFJRCSA-N 1 0 226.320 0.657 10 0 BCAERO C[C@H]1C[N@@H+]([C@@H]2CCC[C@H]2O)C[C@@H]1N(C)C ZINC000226289715 487709012 /nfs/dbraw/zinc/70/90/12/487709012.db2.gz RNIYSQUPAPOXBN-WHOHXGKFSA-N 1 0 212.337 0.782 10 0 BCAERO COC[C@H](C)NC(=O)C[C@H]1CCC[NH2+]C1 ZINC000054290060 487708698 /nfs/dbraw/zinc/70/86/98/487708698.db2.gz VRLXCBAUVLTSOR-VHSXEESVSA-N 1 0 214.309 0.527 10 0 BCAERO CCc1nc(C)cc(N[C@H](C)CC[NH3+])n1 ZINC000336701385 487709516 /nfs/dbraw/zinc/70/95/16/487709516.db2.gz PRUIATLBIAJPHU-MRVPVSSYSA-N 1 0 208.309 1.497 10 0 BCAERO CC(C)[NH2+]CC(=O)N[C@H]1CCO[C@H]1C ZINC000134551393 487712011 /nfs/dbraw/zinc/71/20/11/487712011.db2.gz GHVDXURZCRKZHB-IUCAKERBSA-N 1 0 200.282 0.278 10 0 BCAERO C[C@H]([NH2+][C@@H]1CCCNC(=O)C1)[C@H]1CCCO1 ZINC000082667351 487713409 /nfs/dbraw/zinc/71/34/09/487713409.db2.gz ZENLGPIUXQCRNS-HBNTYKKESA-N 1 0 226.320 0.812 10 0 BCAERO O=C1C[C@H]([NH2+]Cc2ccccn2)CCCN1 ZINC000082667156 487713501 /nfs/dbraw/zinc/71/35/01/487713501.db2.gz MQCLRCLCDORVDX-SNVBAGLBSA-N 1 0 219.288 0.840 10 0 BCAERO C[C@@H]([NH3+])CNc1ncc(Br)cn1 ZINC000082662528 487714226 /nfs/dbraw/zinc/71/42/26/487714226.db2.gz BAPYKTBRRZJXPL-RXMQYKEDSA-N 1 0 231.097 0.998 10 0 BCAERO [NH3+][C@@H]1CC[C@@H](C(=O)N[C@@H]2CCSC2)C1 ZINC000226357331 487716496 /nfs/dbraw/zinc/71/64/96/487716496.db2.gz ZUUPMJKYYNNRSL-IWSPIJDZSA-N 1 0 214.334 0.736 10 0 BCAERO CC1(OCC(=O)NCC[C@@H]2CCCO2)C[NH2+]C1 ZINC000098060692 487717627 /nfs/dbraw/zinc/71/76/27/487717627.db2.gz UNMUJAVNJYJBIR-JTQLQIEISA-N 1 0 242.319 0.050 10 0 BCAERO C[C@@H]1CN(C(=O)COC2(C)C[NH2+]C2)C[C@@H](C)O1 ZINC000098060210 487718192 /nfs/dbraw/zinc/71/81/92/487718192.db2.gz KWIPTTZPKMSRKM-NXEZZACHSA-N 1 0 242.319 0.001 10 0 BCAERO C[C@H](NC(=O)CC(C)(C)[NH3+])[C@@H]1CCCO1 ZINC000082771829 487729735 /nfs/dbraw/zinc/72/97/35/487729735.db2.gz LZGZEMABSWBUDI-IUCAKERBSA-N 1 0 214.309 0.798 10 0 BCAERO CCn1ncnc1C[NH2+]C[C@H]1CCCC[C@H]1O ZINC000088592532 487737981 /nfs/dbraw/zinc/73/79/81/487737981.db2.gz QXYHEORZPJCOEX-GHMZBOCLSA-N 1 0 238.335 0.939 10 0 BCAERO CC(C)C[C@@H]([NH3+])C(=O)N1CCC([C@@H](C)O)CC1 ZINC000155199892 487738484 /nfs/dbraw/zinc/73/84/84/487738484.db2.gz QOLFFIHYJNEVPU-ZYHUDNBSSA-N 1 0 242.363 0.979 10 0 BCAERO CC[C@H](C)CCNC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000662852868 487738523 /nfs/dbraw/zinc/73/85/23/487738523.db2.gz FADULRBATWDKTF-IVZWLZJFSA-N 1 0 214.309 0.262 10 0 BCAERO [NH3+][C@@H]1CC[C@H](C(=O)N[C@H]2CCC[C@@H](O)C2)C1 ZINC000250680244 487739483 /nfs/dbraw/zinc/73/94/83/487739483.db2.gz XZSSPLONJHYXOS-ZRUFSTJUSA-N 1 0 226.320 0.534 10 0 BCAERO C[C@]1(C(=O)NC[C@H]2CCC[C@H]2O)CCC[NH2+]1 ZINC000250804354 487741485 /nfs/dbraw/zinc/74/14/85/487741485.db2.gz QGAOLHJNBWHZHD-CKYFFXLPSA-N 1 0 226.320 0.406 10 0 BCAERO [NH3+]C[C@H]1CN(C(=O)[C@@H]2C[C@H]3C[C@H]3C2)CCO1 ZINC000250828349 487742115 /nfs/dbraw/zinc/74/21/15/487742115.db2.gz ICXQQRSSXQQOSX-VLEAKVRGSA-N 1 0 224.304 0.219 10 0 BCAERO O=C(NCC[NH2+]C1CC1)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000251099159 487748668 /nfs/dbraw/zinc/74/86/68/487748668.db2.gz JQTXSLJAYCFRPM-ILWJIGKKSA-N 1 0 208.305 0.901 10 0 BCAERO CN1CC[NH+](CC2(O)CCSCC2)CC1 ZINC000221835316 487749459 /nfs/dbraw/zinc/74/94/59/487749459.db2.gz JHQHKXPCCWUHIN-UHFFFAOYSA-N 1 0 230.377 0.492 10 0 BCAERO C[C@@H]1OCC[C@@H]1NC(=O)[C@@]1(C)CCC[NH2+]1 ZINC000226449926 487750894 /nfs/dbraw/zinc/75/08/94/487750894.db2.gz UJHVEFHFJCYVAR-ATZCPNFKSA-N 1 0 212.293 0.422 10 0 BCAERO [NH3+]C[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000251427009 487755818 /nfs/dbraw/zinc/75/58/18/487755818.db2.gz SZQIDBIICIJXLK-VLEAKVRGSA-N 1 0 208.305 0.982 10 0 BCAERO O=C(C[C@@H]1CCC[NH2+]C1)NC[C@@H]1CCC[C@@H]1O ZINC000089170070 487765163 /nfs/dbraw/zinc/76/51/63/487765163.db2.gz BNBFMPULSVWQTB-SRVKXCTJSA-N 1 0 240.347 0.653 10 0 BCAERO [NH3+]C1CCC(C(=O)NC[C@H]2CCC[C@H]2O)CC1 ZINC000089169985 487765190 /nfs/dbraw/zinc/76/51/90/487765190.db2.gz DZQBDTRVUBIXOC-RUJICJSRSA-N 1 0 240.347 0.781 10 0 BCAERO CCc1nsc(NC[C@H]2COCC[NH2+]2)n1 ZINC000234171010 487768414 /nfs/dbraw/zinc/76/84/14/487768414.db2.gz HBYRMYPRYZTYEZ-ZETCQYMHSA-N 1 0 228.321 0.501 10 0 BCAERO C[C@@H](O)CCNC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000082995862 487769262 /nfs/dbraw/zinc/76/92/62/487769262.db2.gz BDKQFHDUPWRUGI-ZJUUUORDSA-N 1 0 214.309 0.263 10 0 BCAERO C[C@@H](O)CCNC(=O)CCC(C)(C)[NH3+] ZINC000082996248 487769621 /nfs/dbraw/zinc/76/96/21/487769621.db2.gz BULKJSNYBFQKAN-MRVPVSSYSA-N 1 0 202.298 0.391 10 0 BCAERO CC(C)COC[C@@H](O)C[NH2+]CC[C@@H](C)O ZINC000082995604 487769731 /nfs/dbraw/zinc/76/97/31/487769731.db2.gz HPVZKQBZHDAIGV-MNOVXSKESA-N 1 0 219.325 0.380 10 0 BCAERO C[NH2+][C@H](C)C(=O)NC[C@@H]1CCCC[C@@H]1O ZINC000082995220 487768992 /nfs/dbraw/zinc/76/89/92/487768992.db2.gz GCLGCYPAJLZHAN-UTLUCORTSA-N 1 0 214.309 0.262 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1O ZINC000227327497 487772206 /nfs/dbraw/zinc/77/22/06/487772206.db2.gz MGLPQFKYHUTRSZ-IRCOFANPSA-N 1 0 240.347 0.781 10 0 BCAERO [NH3+][C@H](CNC(=O)[C@@H]1C[C@H]2C[C@H]2C1)C1CC1 ZINC000251596013 487775092 /nfs/dbraw/zinc/77/50/92/487775092.db2.gz ZSASJWQLDHLIEM-LMLFDSFASA-N 1 0 208.305 0.886 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)NC[C@H]2CC[NH2+]C2)O1 ZINC000251803373 487800536 /nfs/dbraw/zinc/80/05/36/487800536.db2.gz MBRBOBDBHSTCHR-KXUCPTDWSA-N 1 0 212.293 0.280 10 0 BCAERO CC[C@@H]1CN(C(=O)[C@H]2CCC[C@H]2C[NH3+])CCO1 ZINC000251917089 487807965 /nfs/dbraw/zinc/80/79/65/487807965.db2.gz YEEFCKHMQYNUAM-TUAOUCFPSA-N 1 0 240.347 0.999 10 0 BCAERO CC[C@H](C)[C@@H]([NH3+])C(=O)N1CC[C@](C)(C(N)=O)C1 ZINC000300528639 487808234 /nfs/dbraw/zinc/80/82/34/487808234.db2.gz HAEUDAXMFRUKAI-SBMIAAHKSA-N 1 0 241.335 0.084 10 0 BCAERO CC1(C)CN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])CCO1 ZINC000089451143 487816447 /nfs/dbraw/zinc/81/64/47/487816447.db2.gz NDAPPDBUKKGCLZ-GHMZBOCLSA-N 1 0 240.347 0.999 10 0 BCAERO COC1CCN(C(=O)[C@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000089450494 487817551 /nfs/dbraw/zinc/81/75/51/487817551.db2.gz MLMMWIJXCDNTTK-PWSUYJOCSA-N 1 0 240.347 0.999 10 0 BCAERO Cc1nccc(CNC(=O)[C@@H]2CCC[C@H]2C[NH3+])n1 ZINC000089458176 487819683 /nfs/dbraw/zinc/81/96/83/487819683.db2.gz FLUXBWAMZHBKBJ-CMPLNLGQSA-N 1 0 248.330 0.776 10 0 BCAERO c1nc2ncnc(NC[C@@H]3CCCC[NH2+]3)c2[nH]1 ZINC000044493454 487819846 /nfs/dbraw/zinc/81/98/46/487819846.db2.gz HAZQAPZWNHSNEQ-QMMMGPOBSA-N 1 0 232.291 0.907 10 0 BCAERO Cc1cc(NC[C@@H]2CCCC[NH2+]2)n2ncnc2n1 ZINC000044493030 487820142 /nfs/dbraw/zinc/82/01/42/487820142.db2.gz XXUCHCUFVKGLDF-JTQLQIEISA-N 1 0 246.318 0.987 10 0 BCAERO CN(Cc1ncc[nH]1)C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089463199 487823154 /nfs/dbraw/zinc/82/31/54/487823154.db2.gz HFHLTVZTPBQXQE-NXEZZACHSA-N 1 0 236.319 0.743 10 0 BCAERO COCCOCCNC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000089461003 487823862 /nfs/dbraw/zinc/82/38/62/487823862.db2.gz ZGYHSEHIVTVNNP-WDEREUQCSA-N 1 0 244.335 0.141 10 0 BCAERO C[C@@H]1CN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])CCCO1 ZINC000089461965 487824007 /nfs/dbraw/zinc/82/40/07/487824007.db2.gz IWFDIYHOVGRRKB-IJLUTSLNSA-N 1 0 240.347 0.999 10 0 BCAERO C[C@H](NC(=O)[C@@H]1CC[NH2+][C@H]1C)[C@H]1CCCO1 ZINC000252588430 487827003 /nfs/dbraw/zinc/82/70/03/487827003.db2.gz AZGAGUAJPHZBOT-UKKRHICBSA-N 1 0 226.320 0.668 10 0 BCAERO CO[C@@H](C)CNC(=O)[C@H]1CCC[NH2+][C@@H]1C ZINC000224242553 487827474 /nfs/dbraw/zinc/82/74/74/487827474.db2.gz DDKYZXQZNOJYCH-AEJSXWLSSA-N 1 0 214.309 0.526 10 0 BCAERO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)N[C@H]1CCOC1 ZINC000252625834 487827584 /nfs/dbraw/zinc/82/75/84/487827584.db2.gz YUFGQSOZPGHDLE-GUBZILKMSA-N 1 0 227.308 0.215 10 0 BCAERO C[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H]1CCC[C@H]1O ZINC000252616439 487827985 /nfs/dbraw/zinc/82/79/85/487827985.db2.gz ZUYXYJSTMAYZCV-ZRUFSTJUSA-N 1 0 226.320 0.262 10 0 BCAERO C[C@@H]1OCC[C@@H]1NC(=O)C[C@H]1CCC[NH2+]C1 ZINC000252750677 487833681 /nfs/dbraw/zinc/83/36/81/487833681.db2.gz WDIWKUOEHGLKGL-AXFHLTTASA-N 1 0 226.320 0.670 10 0 BCAERO C[C@H]([NH3+])[C@H](C)C(=O)N[C@H]1CCC[C@H](O)C1 ZINC000252844241 487835396 /nfs/dbraw/zinc/83/53/96/487835396.db2.gz DMYXCGIWHWRAPA-XKNYDFJKSA-N 1 0 214.309 0.389 10 0 BCAERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)Nc1ccccc1 ZINC000666596568 487838291 /nfs/dbraw/zinc/83/82/91/487838291.db2.gz ROIGSXWGMOQHTJ-KOLCDFICSA-N 1 0 235.287 0.388 10 0 BCAERO Cc1nccc(C(=O)N[C@@H]2CCC[C@H]2C[NH3+])n1 ZINC000157885111 487847767 /nfs/dbraw/zinc/84/77/67/487847767.db2.gz ZXXDGOMTJUVRJZ-VHSXEESVSA-N 1 0 234.303 0.642 10 0 BCAERO CO[C@H](C(=O)N1CC[C@H]([NH3+])[C@H]1C)C1CCC1 ZINC000659314906 487851972 /nfs/dbraw/zinc/85/19/72/487851972.db2.gz MQHVVRKIDPXRIA-MIMYLULJSA-N 1 0 226.320 0.750 10 0 BCAERO CO[C@H](C(=O)N1CC[C@@H]([NH3+])[C@@H]1C)C1CCC1 ZINC000659314903 487851820 /nfs/dbraw/zinc/85/18/20/487851820.db2.gz MQHVVRKIDPXRIA-GDPRMGEGSA-N 1 0 226.320 0.750 10 0 BCAERO O=C(C[C@@H]1CC[NH2+]C1)NC[C@H]1CCCC[C@H]1O ZINC000089748772 487852505 /nfs/dbraw/zinc/85/25/05/487852505.db2.gz AQPCBMHMVINJOX-QJPTWQEYSA-N 1 0 240.347 0.653 10 0 BCAERO C[C@@H](C(=O)N[C@H]1CCC[NH2+][C@H]1C)n1cncn1 ZINC000253195273 487857617 /nfs/dbraw/zinc/85/76/17/487857617.db2.gz PZWGEQLPTQIXBT-GUBZILKMSA-N 1 0 237.307 0.096 10 0 BCAERO C[N@H+](C[C@@H]1CCC[C@H](O)C1)CC(C)(CO)CO ZINC000647967154 487865025 /nfs/dbraw/zinc/86/50/25/487865025.db2.gz UUFJCMZWVYFBGK-NEPJUHHUSA-N 1 0 245.363 0.460 10 0 BCAERO COC[C@H](CN1C[C@@H]2CCC[N@@H+]2C[C@@H]1C)OC ZINC000234709555 487866469 /nfs/dbraw/zinc/86/64/69/487866469.db2.gz JBTXVAVHRGBJQQ-AVGNSLFASA-N 1 0 242.363 0.816 10 0 BCAERO COC[C@@H](C)[NH2+]CC(=O)N(C)CC1CC1 ZINC000379956193 487875155 /nfs/dbraw/zinc/87/51/55/487875155.db2.gz VMYVRZVHRDQNNO-SECBINFHSA-N 1 0 214.309 0.479 10 0 BCAERO CC(C)[C@@H](CO)NC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000086125703 487877055 /nfs/dbraw/zinc/87/70/55/487877055.db2.gz KNUWBHKDKJKAFT-WDEREUQCSA-N 1 0 228.336 0.509 10 0 BCAERO COc1cc(C)nc(NC[C@@H]2COCC[NH2+]2)n1 ZINC000234907931 487889875 /nfs/dbraw/zinc/88/98/75/487889875.db2.gz WLAVLGHABVSVEA-SECBINFHSA-N 1 0 238.291 0.194 10 0 BCAERO CCc1nnc(C)cc1C(=O)NC[C@@H]1CC[NH2+]C1 ZINC000229204129 487891962 /nfs/dbraw/zinc/89/19/62/487891962.db2.gz WOKJUHREFDGZSE-SNVBAGLBSA-N 1 0 248.330 0.687 10 0 BCAERO CO[C@@H]1C[N@@H+]([C@@H]2CCC[C@H]2O)C[C@@H]1OC ZINC000234930099 487894960 /nfs/dbraw/zinc/89/49/60/487894960.db2.gz WOZUKRZAVKWBLC-DBIOUOCHSA-N 1 0 215.293 0.245 10 0 BCAERO COc1cccnc1N1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000234946972 487896021 /nfs/dbraw/zinc/89/60/21/487896021.db2.gz CVABCAYQRPWNDC-BDAKNGLRSA-N 1 0 207.277 0.874 10 0 BCAERO CC(C)[C@H]1CN(c2ncccn2)CC[NH2+]1 ZINC000083344841 487904592 /nfs/dbraw/zinc/90/45/92/487904592.db2.gz HLTWUZYJZVKGIJ-SNVBAGLBSA-N 1 0 206.293 0.911 10 0 BCAERO CCn1nc(C)cc1C(=O)N1CCC[C@H]1C[NH3+] ZINC000090124842 487907066 /nfs/dbraw/zinc/90/70/66/487907066.db2.gz SNTSREQGKHMMPB-JTQLQIEISA-N 1 0 236.319 0.775 10 0 BCAERO COC[C@H](NC(=O)[C@@H]1C[NH2+]C[C@H]1C)C(C)C ZINC000083399530 487907088 /nfs/dbraw/zinc/90/70/88/487907088.db2.gz DPVPZPVIXNKQED-MXWKQRLJSA-N 1 0 228.336 0.629 10 0 BCAERO CCNC(=O)CN(C)C(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000055090196 487934748 /nfs/dbraw/zinc/93/47/48/487934748.db2.gz XQVCUDKFVWOWBZ-UWVGGRQHSA-N 1 0 241.335 0.098 10 0 BCAERO CCNC(=O)CN(C)C(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000055090201 487934765 /nfs/dbraw/zinc/93/47/65/487934765.db2.gz XQVCUDKFVWOWBZ-VHSXEESVSA-N 1 0 241.335 0.098 10 0 BCAERO O=C(NC[C@@H]1CCC[C@H]1O)[C@H]1CCCC[NH2+]1 ZINC000158046513 487936422 /nfs/dbraw/zinc/93/64/22/487936422.db2.gz MYHIXKBVYYQCNO-HBNTYKKESA-N 1 0 226.320 0.406 10 0 BCAERO C[C@@]1(C(=O)NCCCCO)CCCC[NH2+]1 ZINC000235388347 487947773 /nfs/dbraw/zinc/94/77/73/487947773.db2.gz FXMPEYAZHQWMAG-NSHDSACASA-N 1 0 214.309 0.407 10 0 BCAERO Cc1c(CN2CC[C@@H]([NH3+])[C@@H](C)C2)cnn1C ZINC000227057585 323007826 /nfs/dbraw/zinc/00/78/26/323007826.db2.gz SRNFJSGVXDESGQ-JOYOIKCWSA-N 1 0 222.336 0.898 10 0 BCAERO C[C@@H]([NH3+])CCNS(=O)(=O)C1(C)CC1 ZINC000570043242 323048278 /nfs/dbraw/zinc/04/82/78/323048278.db2.gz LDSISDIMIARBRD-SSDOTTSWSA-N 1 0 206.311 0.196 10 0 BCAERO CCC1(O)CCN(C(=O)[C@H]2CC[NH2+]C2)CC1 ZINC000570054488 323048551 /nfs/dbraw/zinc/04/85/51/323048551.db2.gz HJFFCAOCNZAXEH-JTQLQIEISA-N 1 0 226.320 0.359 10 0 BCAERO COC[C@H]([NH3+])C(=O)N1CCc2ccccc2CC1 ZINC000159952532 323055239 /nfs/dbraw/zinc/05/52/39/323055239.db2.gz KYYOFEFQZBRRRE-ZDUSSCGKSA-N 1 0 248.326 0.588 10 0 BCAERO CCn1ccnc(N[C@H](C)C[C@H](C)[NH3+])c1=O ZINC000165730800 323069496 /nfs/dbraw/zinc/06/94/96/323069496.db2.gz OPXWARJHKCZMMX-DTWKUNHWSA-N 1 0 224.308 0.801 10 0 BCAERO CCCNC(=O)CNC(=O)[C@@H](CCC)[NH+](C)C ZINC000159121644 323074837 /nfs/dbraw/zinc/07/48/37/323074837.db2.gz SOFMCHSVUPCJRA-SNVBAGLBSA-N 1 0 243.351 0.359 10 0 BCAERO O=C(CC1CC1)N1CC[C@H]2OCC[NH2+][C@@H]2C1 ZINC000403980248 323092097 /nfs/dbraw/zinc/09/20/97/323092097.db2.gz ATBQKYJMMWTVRU-GHMZBOCLSA-N 1 0 224.304 0.376 10 0 BCAERO O=C(CC1CCC1)N1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC000404023312 323101730 /nfs/dbraw/zinc/10/17/30/323101730.db2.gz ULXSUWHQFMSQSI-NEPJUHHUSA-N 1 0 238.331 0.766 10 0 BCAERO CC[N@H+](C)C[C@H](O)CN1CCn2ccnc2C1 ZINC000310437624 323131481 /nfs/dbraw/zinc/13/14/81/323131481.db2.gz UYGOMCWIIXZDAV-NSHDSACASA-N 1 0 238.335 0.011 10 0 BCAERO O[C@H]1CCC[C@H](C[NH2+]CC2(O)CCOCC2)C1 ZINC000310444382 323131888 /nfs/dbraw/zinc/13/18/88/323131888.db2.gz UAJUBQQUIZVMLH-RYUDHWBXSA-N 1 0 243.347 0.669 10 0 BCAERO CN(C)c1ncc(C[NH2+][C@@H]2C[C@H]2CO)s1 ZINC000308929241 323181765 /nfs/dbraw/zinc/18/17/65/323181765.db2.gz JALRFTWWMMSSKB-IONNQARKSA-N 1 0 227.333 0.680 10 0 BCAERO CCOCC(=O)N[C@@H]1CCC[N@H+](CC)C1 ZINC000070264360 323184049 /nfs/dbraw/zinc/18/40/49/323184049.db2.gz JHFLNLIHASUIRN-SNVBAGLBSA-N 1 0 214.309 0.623 10 0 BCAERO C[C@@H](O)[C@H]1CCC[N@H+](CC2(O)CCC2)C1 ZINC000535557928 323184416 /nfs/dbraw/zinc/18/44/16/323184416.db2.gz CKXGQNYZUIUUQY-MNOVXSKESA-N 1 0 213.321 0.994 10 0 BCAERO C[C@H](O)CCC[N@@H+]1C[C@H](O)CC[C@H]1C ZINC000399247319 323201765 /nfs/dbraw/zinc/20/17/65/323201765.db2.gz IVFFIZGSBVKZMR-OUAUKWLOSA-N 1 0 201.310 0.993 10 0 BCAERO C[C@H]1CC[C@H](O)C[N@@H+]1CC(=O)N1CCCC1 ZINC000399260268 323202278 /nfs/dbraw/zinc/20/22/78/323202278.db2.gz STLILEZQFLSASF-QWRGUYRKSA-N 1 0 226.320 0.454 10 0 BCAERO COC(=O)CC[N@@H+]1C[C@H](O)CC[C@@H]1C ZINC000399328850 323203935 /nfs/dbraw/zinc/20/39/35/323203935.db2.gz XSJQVHLTHGYQAD-DTWKUNHWSA-N 1 0 201.266 0.395 10 0 BCAERO C[C@@H]1CC[NH2+][C@@H](C(=O)NC[C@H](O)C(C)(C)C)C1 ZINC000324288100 323226554 /nfs/dbraw/zinc/22/65/54/323226554.db2.gz ADNBXLWEUKENBY-MXWKQRLJSA-N 1 0 242.363 0.898 10 0 BCAERO COC[C@H](C)C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000103435325 323248742 /nfs/dbraw/zinc/24/87/42/323248742.db2.gz ZMPKLIBMTGZDDY-VHSXEESVSA-N 1 0 228.336 0.868 10 0 BCAERO CC(C)[C@H](C(=O)N[C@H]1CCCOC1)[C@@H](C)[NH3+] ZINC000399502926 323396378 /nfs/dbraw/zinc/39/63/78/323396378.db2.gz JFWPIHLISSYIGX-VWYCJHECSA-N 1 0 228.336 0.901 10 0 BCAERO O=C(NCCCC1CC1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000158450607 487958825 /nfs/dbraw/zinc/95/88/25/487958825.db2.gz VSLMKCAMCGZINY-NXEZZACHSA-N 1 0 212.293 0.016 10 0 BCAERO COCCc1nc2[nH]ccc2c(NN)[nH+]1 ZINC000536952829 323959520 /nfs/dbraw/zinc/95/95/20/323959520.db2.gz FEUNKSMZWOFSEV-UHFFFAOYSA-N 1 0 207.237 0.432 10 0 BCAERO CC1(C)[C@H]([NH3+])[C@H]2CCCS(=O)(=O)[C@@H]21 ZINC000536953314 323960519 /nfs/dbraw/zinc/96/05/19/323960519.db2.gz HCQQMMJHCASZLZ-PRJMDXOYSA-N 1 0 203.307 0.547 10 0 BCAERO C[C@@H](C(=O)OC(C)(C)C)S(=O)(=O)CC[NH3+] ZINC000536957052 323967753 /nfs/dbraw/zinc/96/77/53/323967753.db2.gz BRCZEMQGXZBBEP-ZETCQYMHSA-N 1 0 237.321 0.090 10 0 BCAERO CCN(C)C(=O)CC[N@H+]1[C@H](C)COC[C@@H]1C ZINC000130507007 325059002 /nfs/dbraw/zinc/05/90/02/325059002.db2.gz VLUBYRQXJXQDBR-PHIMTYICSA-N 1 0 228.336 0.964 10 0 BCAERO CCC[C@@H](C(=O)NCC[C@H](O)COC)[NH+](C)C ZINC000130790850 325089111 /nfs/dbraw/zinc/08/91/11/325089111.db2.gz JWQYZDAGDCSMQV-QWRGUYRKSA-N 1 0 246.351 0.230 10 0 BCAERO C[C@@H]([NH3+])CCNC(=O)CCc1cccnc1 ZINC000132620661 325230517 /nfs/dbraw/zinc/23/05/17/325230517.db2.gz SWCODMAFDOTCJS-SNVBAGLBSA-N 1 0 221.304 0.868 10 0 BCAERO C[NH+](C)CC(=O)NC[C@H](O)C(C)(C)C ZINC000133380604 325292218 /nfs/dbraw/zinc/29/22/18/325292218.db2.gz OKHLSPMZGUWHNP-QMMMGPOBSA-N 1 0 202.298 0.071 10 0 BCAERO CO[C@H]1C[NH2+][C@@H](C(=O)Nc2ncccc2O)C1 ZINC000134759719 325375565 /nfs/dbraw/zinc/37/55/65/325375565.db2.gz DZXFEYSQAVGZQT-HTQZYQBOSA-N 1 0 237.259 0.103 10 0 BCAERO COc1c(N)ncnc1N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000134921210 325383017 /nfs/dbraw/zinc/38/30/17/325383017.db2.gz JBOQQQLXJJUJFB-SECBINFHSA-N 1 0 249.318 0.352 10 0 BCAERO [NH3+][C@H]1CCC[C@@H](C(=O)NC[C@@H]2CCCO2)C1 ZINC000055086443 487970266 /nfs/dbraw/zinc/97/02/66/487970266.db2.gz KUWCWUAKUNXMCQ-VWYCJHECSA-N 1 0 226.320 0.799 10 0 BCAERO [NH3+]C[C@@H]1CCCN1C(=O)[C@@H]1CC12CCOCC2 ZINC000565538368 325924855 /nfs/dbraw/zinc/92/48/55/325924855.db2.gz UESWYOSPWGWJGC-QWRGUYRKSA-N 1 0 238.331 0.753 10 0 BCAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1CC1(CO)COC1 ZINC000309983897 326178119 /nfs/dbraw/zinc/17/81/19/326178119.db2.gz XBEMSFSGDWZFIE-NEPJUHHUSA-N 1 0 240.347 0.164 10 0 BCAERO CCC[C@H](C(=O)N1CC(CO)C1)[NH+](C)C ZINC000156966325 326251183 /nfs/dbraw/zinc/25/11/83/326251183.db2.gz JRBOTYMJZYJANM-SNVBAGLBSA-N 1 0 214.309 0.167 10 0 BCAERO Cc1ncc(C[NH2+][C@@H]2CCC(=O)N[C@H]2C)n1C ZINC000568269566 326338112 /nfs/dbraw/zinc/33/81/12/326338112.db2.gz PGTRLWVRMYSNNV-GZMMTYOYSA-N 1 0 236.319 0.485 10 0 BCAERO CCC[C@@H](O)CNC(=O)[C@@]1(C)CCC[NH2+]1 ZINC000158790385 326343622 /nfs/dbraw/zinc/34/36/22/326343622.db2.gz HXSLEAVEVCDGMI-MWLCHTKSSA-N 1 0 214.309 0.406 10 0 BCAERO O=C(C[C@@H]1C=CCC1)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000568645571 326370791 /nfs/dbraw/zinc/37/07/91/326370791.db2.gz SUJZZOJHUICJOY-GRYCIOLGSA-N 1 0 236.315 0.542 10 0 BCAERO CC(C)(C)[C@H](O)C[NH2+][C@@H]1CCC[C@H]1O ZINC000324569008 326417379 /nfs/dbraw/zinc/41/73/79/326417379.db2.gz WAFVANPKTAFKEW-OPRDCNLKSA-N 1 0 201.310 0.896 10 0 BCAERO C[C@H]([NH3+])C[C@H](C)Nc1nccn(C)c1=O ZINC000165723145 326426035 /nfs/dbraw/zinc/42/60/35/326426035.db2.gz ISAOSWSKFNENMA-YUMQZZPRSA-N 1 0 210.281 0.318 10 0 BCAERO CC1(C(=O)N2CC[C@H]3OCC[NH2+][C@@H]3C2)CCC1 ZINC000573093957 326429099 /nfs/dbraw/zinc/42/90/99/326429099.db2.gz WACQXEDEXBHJKC-GHMZBOCLSA-N 1 0 238.331 0.766 10 0 BCAERO CC1(C(=O)N2CC[C@@H]3OCC[NH2+][C@H]3C2)CCC1 ZINC000573094066 326429256 /nfs/dbraw/zinc/42/92/56/326429256.db2.gz WACQXEDEXBHJKC-QWRGUYRKSA-N 1 0 238.331 0.766 10 0 BCAERO C[C@H]1OCC[C@H]1NC(=O)C1([NH3+])CCCC1 ZINC000134256845 487975572 /nfs/dbraw/zinc/97/55/72/487975572.db2.gz SAERPTPKORSGRA-RKDXNWHRSA-N 1 0 212.293 0.552 10 0 BCAERO Cn1ncnc1C[NH2+]CC[C@@H]1CCCO1 ZINC000083970711 487976290 /nfs/dbraw/zinc/97/62/90/487976290.db2.gz JVPHSIULNWYWIF-VIFPVBQESA-N 1 0 210.281 0.474 10 0 BCAERO CN(Cc1cn[nH]c1)C(=O)[C@@]1(C)CCC[NH2+]1 ZINC000070619463 487984703 /nfs/dbraw/zinc/98/47/03/487984703.db2.gz IHRFIEPEWKAJET-LLVKDONJSA-N 1 0 222.292 0.510 10 0 BCAERO CCC[C@H]([NH3+])C(=O)NC1(C)CCOCC1 ZINC000229902641 487986574 /nfs/dbraw/zinc/98/65/74/487986574.db2.gz LUUPQGHUBYZICM-VIFPVBQESA-N 1 0 214.309 0.799 10 0 BCAERO C[NH2+][C@H](C)C(=O)NC1(C)CCOCC1 ZINC000229900507 487987960 /nfs/dbraw/zinc/98/79/60/487987960.db2.gz RJZCLCNUGLYMSB-MRVPVSSYSA-N 1 0 200.282 0.280 10 0 BCAERO C[C@@H]1OCC[C@H]1[NH2+][C@@H]1CCCNC(=O)C1 ZINC000134538221 487988630 /nfs/dbraw/zinc/98/86/30/487988630.db2.gz RNNZPUJGQZYHOW-IVZWLZJFSA-N 1 0 212.293 0.422 10 0 BCAERO C[C@@H]1OCC[C@@H]1NC(=O)CC[NH2+]C1CC1 ZINC000134549465 487989556 /nfs/dbraw/zinc/98/95/56/487989556.db2.gz VJUQAAIRSNSQMX-WPRPVWTQSA-N 1 0 212.293 0.422 10 0 BCAERO C[C@H]1OCC[C@H]1NC(=O)CC[NH2+]C1CC1 ZINC000134549408 487989929 /nfs/dbraw/zinc/98/99/29/487989929.db2.gz VJUQAAIRSNSQMX-PSASIEDQSA-N 1 0 212.293 0.422 10 0 BCAERO CC(C)OCCNC(=O)C[C@@H]([NH3+])C(C)C ZINC000159144158 487994723 /nfs/dbraw/zinc/99/47/23/487994723.db2.gz OGMGBBBABFTHRD-SNVBAGLBSA-N 1 0 216.325 0.901 10 0 BCAERO Cc1nc(C)c(C(=O)N2C[C@H](C)[C@H]([NH3+])C2)o1 ZINC000235633687 487995545 /nfs/dbraw/zinc/99/55/45/487995545.db2.gz NGWNGQDKIXJSCC-IMTBSYHQSA-N 1 0 223.276 0.711 10 0 BCAERO C[C@H]1CN(CCc2ccnn2C)C[C@@H]1[NH3+] ZINC000235650194 487998633 /nfs/dbraw/zinc/99/86/33/487998633.db2.gz RXBADYHXDQKDIE-ONGXEEELSA-N 1 0 208.309 0.242 10 0 BCAERO COC[C@H](C)[NH2+]Cc1cnc(OC)nc1C ZINC000309663611 487999545 /nfs/dbraw/zinc/99/95/45/487999545.db2.gz SIRVEAKVPLFHTM-QMMMGPOBSA-N 1 0 225.292 0.918 10 0 BCAERO COCC1(NC(=O)[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000309650744 488011427 /nfs/dbraw/zinc/01/14/27/488011427.db2.gz SRDDGAGPTSBQPU-RKDXNWHRSA-N 1 0 212.293 0.137 10 0 BCAERO CN1C[C@H](C[NH2+][C@@H]2CO[C@H](C3CC3)C2)CC1=O ZINC000668617488 488014464 /nfs/dbraw/zinc/01/44/64/488014464.db2.gz YWSWWVRMDQXCFO-DLOVCJGASA-N 1 0 238.331 0.622 10 0 BCAERO CO[C@H]1C[NH2+][C@@H](C(=O)NCCCSC)C1 ZINC000069013861 488016009 /nfs/dbraw/zinc/01/60/09/488016009.db2.gz MHJPKUPYMIWPKX-RKDXNWHRSA-N 1 0 232.349 0.233 10 0 BCAERO CC(C)(C)OCCN1CCOC[C@@H]1CO ZINC000159283671 488020067 /nfs/dbraw/zinc/02/00/67/488020067.db2.gz CYEJGFBMJCLNHK-JTQLQIEISA-N 1 0 217.309 0.495 10 0 BCAERO NC(=O)C1CC[NH+](C[C@@H]2CCC[C@@H](O)C2)CC1 ZINC000383937944 488030268 /nfs/dbraw/zinc/03/02/68/488030268.db2.gz UNZXAGILTHYYGZ-ZYHUDNBSSA-N 1 0 240.347 0.735 10 0 BCAERO Cc1cnc(NC[C@H]2COCC[NH2+]2)nc1 ZINC000235925579 488031173 /nfs/dbraw/zinc/03/11/73/488031173.db2.gz FOWSGIUQRIQPOX-VIFPVBQESA-N 1 0 208.265 0.185 10 0 BCAERO Cc1cnc(NC[C@@H]2COCC[NH2+]2)nc1 ZINC000235924912 488031383 /nfs/dbraw/zinc/03/13/83/488031383.db2.gz FOWSGIUQRIQPOX-SECBINFHSA-N 1 0 208.265 0.185 10 0 BCAERO Cc1cnn(CCNC(=O)c2ccc(C[NH3+])o2)c1 ZINC000235942881 488031966 /nfs/dbraw/zinc/03/19/66/488031966.db2.gz JULRFPFNCALZJD-UHFFFAOYSA-N 1 0 248.286 0.673 10 0 BCAERO Cc1nnc(NC[C@@H]2COCC[NH2+]2)s1 ZINC000235949832 488033085 /nfs/dbraw/zinc/03/30/85/488033085.db2.gz SFDXVUYSDHSGFB-SSDOTTSWSA-N 1 0 214.294 0.247 10 0 BCAERO CC(C)[C@@H](C)[N@@H+]1CCC[C@](O)(C(N)=O)C1 ZINC000318959132 488037094 /nfs/dbraw/zinc/03/70/94/488037094.db2.gz FAXGMGRRCGJYKB-MWLCHTKSSA-N 1 0 214.309 0.343 10 0 BCAERO CC(C)[NH2+]CC(=O)NC[C@@H]1CCC[C@@H]1O ZINC000084238512 488039798 /nfs/dbraw/zinc/03/97/98/488039798.db2.gz RSEHMJPMKGAUNE-UWVGGRQHSA-N 1 0 214.309 0.262 10 0 BCAERO O=C(CC[NH2+]C1CC1)NC[C@H]1CCC[C@H]1O ZINC000084238244 488039528 /nfs/dbraw/zinc/03/95/28/488039528.db2.gz QIKZSKHPWYFEQD-MWLCHTKSSA-N 1 0 226.320 0.406 10 0 BCAERO CC[C@@H]([NH3+])C(=O)NC[C@@H]1CCC[C@H]1O ZINC000084238912 488039615 /nfs/dbraw/zinc/03/96/15/488039615.db2.gz SBQWUZWWROOMJC-DJLDLDEBSA-N 1 0 200.282 0.001 10 0 BCAERO CCN1CCO[C@H](C[NH2+][C@H]2COC(C)(C)C2)C1 ZINC000396864170 488041651 /nfs/dbraw/zinc/04/16/51/488041651.db2.gz SRGOOSJVQQVHBH-VXGBXAGGSA-N 1 0 242.363 0.864 10 0 BCAERO COCCNC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000084308556 488042204 /nfs/dbraw/zinc/04/22/04/488042204.db2.gz BVNZFTJAPKPRAX-BDAKNGLRSA-N 1 0 200.282 0.124 10 0 BCAERO O=C(CC(F)(F)F)NC[C@@H]1COCC[NH2+]1 ZINC000236114127 488042698 /nfs/dbraw/zinc/04/26/98/488042698.db2.gz QXMGZUZRZYYKRG-ZCFIWIBFSA-N 1 0 226.198 0.043 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N1CCSCC1 ZINC000084309082 488043342 /nfs/dbraw/zinc/04/33/42/488043342.db2.gz VTADLBNXAYWLGK-UWVGGRQHSA-N 1 0 228.361 0.937 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)NC1CCOCC1 ZINC000084309681 488043809 /nfs/dbraw/zinc/04/38/09/488043809.db2.gz IDHOKVWNFVSULP-GXSJLCMTSA-N 1 0 226.320 0.657 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)Nc1cc[nH]n1 ZINC000084310301 488045023 /nfs/dbraw/zinc/04/50/23/488045023.db2.gz KXUIQRFFBBUQFI-JGVFFNPUSA-N 1 0 208.265 0.723 10 0 BCAERO C[C@@H]1CN(C(=O)COC2(C)C[NH2+]C2)CCS1 ZINC000165840461 488045213 /nfs/dbraw/zinc/04/52/13/488045213.db2.gz VEPRNEYLGGOVCP-SECBINFHSA-N 1 0 244.360 0.329 10 0 BCAERO [NH3+]C[C@H](NC(=O)c1ncccc1O)C(F)(F)F ZINC000401793125 488067420 /nfs/dbraw/zinc/06/74/20/488067420.db2.gz IDABTUFBZVDEQS-LURJTMIESA-N 1 0 249.192 0.407 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N[C@@H]1CCc2ccccc21 ZINC000159636752 488073101 /nfs/dbraw/zinc/07/31/01/488073101.db2.gz YKSUJZZDPQLXHG-VXGBXAGGSA-N 1 0 234.299 0.764 10 0 BCAERO CO[C@@](C)(C[NH2+]C[C@H]1CN(C)CCO1)C1CC1 ZINC000310201292 488074861 /nfs/dbraw/zinc/07/48/61/488074861.db2.gz BXGYCCHLZUCXDN-STQMWFEESA-N 1 0 242.363 0.722 10 0 BCAERO Cc1cc(C(=O)N2CCC[C@H]([NH3+])C2)ncn1 ZINC000257645259 488075356 /nfs/dbraw/zinc/07/53/56/488075356.db2.gz ABGXXUGQCZFFCW-VIFPVBQESA-N 1 0 220.276 0.348 10 0 BCAERO COC[C@H]([NH3+])C(=O)N(C)c1ccccc1OC ZINC000159875660 488090284 /nfs/dbraw/zinc/09/02/84/488090284.db2.gz IWICOWDXEVSHGN-VIFPVBQESA-N 1 0 238.287 0.632 10 0 BCAERO COCCN(CCOC)C(=O)C[C@@H]([NH3+])C(C)C ZINC000136315461 488094788 /nfs/dbraw/zinc/09/47/88/488094788.db2.gz RUVZBMSCSWJORY-LLVKDONJSA-N 1 0 246.351 0.481 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)N[C@@H](C)Cn1cccn1 ZINC000136317115 488095275 /nfs/dbraw/zinc/09/52/75/488095275.db2.gz CZKFEIQBHSJZFV-WDEREUQCSA-N 1 0 238.335 0.761 10 0 BCAERO CC(C)[C@@H]([NH3+])CC(=O)N(C)CC(=O)NC1CC1 ZINC000136313094 488095017 /nfs/dbraw/zinc/09/50/17/488095017.db2.gz VQAHPVSHRKMELH-JTQLQIEISA-N 1 0 241.335 0.097 10 0 BCAERO CCN(CC(=O)N(C)C)C(=O)C[C@H]([NH3+])C(C)C ZINC000136315557 488095044 /nfs/dbraw/zinc/09/50/44/488095044.db2.gz HUSJFCJNLCYKIS-JTQLQIEISA-N 1 0 243.351 0.297 10 0 BCAERO C[NH2+][C@@H](C)CNc1ccc(C(=O)N(C)C)nn1 ZINC000310217682 488095438 /nfs/dbraw/zinc/09/54/38/488095438.db2.gz JOVZHYJJXRBXLG-QMMMGPOBSA-N 1 0 237.307 0.198 10 0 BCAERO C[C@H]([NH3+])CC(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000226928462 488098845 /nfs/dbraw/zinc/09/88/45/488098845.db2.gz OAQIDLXIPLIIEF-HBNTYKKESA-N 1 0 226.320 0.894 10 0 BCAERO C[NH2+][C@H](C)C(=O)Nc1ccnc(OC)c1 ZINC000389598903 488102519 /nfs/dbraw/zinc/10/25/19/488102519.db2.gz RZMNZBVGRBYMBZ-SSDOTTSWSA-N 1 0 209.249 0.637 10 0 BCAERO CC[C@@H]1C(=O)NCCN1C(=O)C[C@@H]([NH3+])C(C)C ZINC000136462742 488103384 /nfs/dbraw/zinc/10/33/84/488103384.db2.gz ZVCSKEPPSNVUSB-NXEZZACHSA-N 1 0 241.335 0.097 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)NCCc1cnn(C)c1 ZINC000136492258 488105771 /nfs/dbraw/zinc/10/57/71/488105771.db2.gz WFJPPEFQNPBLOB-LLVKDONJSA-N 1 0 238.335 0.452 10 0 BCAERO Cc1nocc1CN1CC[C@H]2OCC[NH2+][C@@H]2C1 ZINC000662287373 487537485 /nfs/dbraw/zinc/53/74/85/487537485.db2.gz ZIPJJNXBBRTXJP-VXGBXAGGSA-N 1 0 237.303 0.546 10 0 BCAERO Cc1nocc1CN1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC000662287369 487537864 /nfs/dbraw/zinc/53/78/64/487537864.db2.gz ZIPJJNXBBRTXJP-RYUDHWBXSA-N 1 0 237.303 0.546 10 0 BCAERO C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCC[C@H]1CCCO1 ZINC000252613309 487537378 /nfs/dbraw/zinc/53/73/78/487537378.db2.gz XBLMMFPIDFMWMB-AXFHLTTASA-N 1 0 226.320 0.670 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N(C)CCC(C)(C)C ZINC000399702205 487542079 /nfs/dbraw/zinc/54/20/79/487542079.db2.gz AYUDGOTVTLPSMZ-SECBINFHSA-N 1 0 216.325 0.855 10 0 BCAERO C[C@H]1CN(C(=O)CC[C@@H]2CCC[NH2+]2)CCO1 ZINC000261566374 487545486 /nfs/dbraw/zinc/54/54/86/487545486.db2.gz DKKFWHUYUGWUNH-QWRGUYRKSA-N 1 0 226.320 0.766 10 0 BCAERO CCn1ccc(NC(=O)[C@@H]2CC[C@H]([NH3+])C2)n1 ZINC000300908540 487548969 /nfs/dbraw/zinc/54/89/69/487548969.db2.gz RIOUVOBALUEEKQ-BDAKNGLRSA-N 1 0 222.292 0.969 10 0 BCAERO CCn1ccc(NC(=O)[C@H]2CC[C@H]([NH3+])C2)n1 ZINC000300908542 487549232 /nfs/dbraw/zinc/54/92/32/487549232.db2.gz RIOUVOBALUEEKQ-IUCAKERBSA-N 1 0 222.292 0.969 10 0 BCAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]C[C@H]1CCC[C@H](O)C1 ZINC000392874832 487556104 /nfs/dbraw/zinc/55/61/04/487556104.db2.gz GELXNOADONJYKA-BJDJZHNGSA-N 1 0 240.347 0.794 10 0 BCAERO O=C1C[C@H]([NH2+]C[C@H]2CCCC[C@H]2O)CCCN1 ZINC000085988148 487471116 /nfs/dbraw/zinc/47/11/16/487471116.db2.gz ILXCZRCISMMICY-IJLUTSLNSA-N 1 0 240.347 0.796 10 0 BCAERO C[C@H](O)CCNC(=O)[C@@H]1[NH2+]CCc2ccccc21 ZINC000085990115 487471139 /nfs/dbraw/zinc/47/11/39/487471139.db2.gz BKUUUDBACQFXBO-GXFFZTMASA-N 1 0 248.326 0.761 10 0 BCAERO Cc1cnc([C@@H](C)NC(=O)[C@H](C)C[NH3+])o1 ZINC000231742736 487472486 /nfs/dbraw/zinc/47/24/86/487472486.db2.gz QPNZHXUFDQUPQN-HTRCEHHLSA-N 1 0 211.265 0.755 10 0 BCAERO CCc1nn(C)cc1CN1CC[C@@H]([NH3+])[C@H]1C ZINC000380542123 487478325 /nfs/dbraw/zinc/47/83/25/487478325.db2.gz HJTUWUGMOZLSDR-MWLCHTKSSA-N 1 0 222.336 0.904 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N[C@H](CO)C(C)C ZINC000086124983 487484964 /nfs/dbraw/zinc/48/49/64/487484964.db2.gz WSFNHHHQYLSPDD-DTWKUNHWSA-N 1 0 202.298 0.247 10 0 BCAERO CC(C)[C@@H](CO)NC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000086125751 487485074 /nfs/dbraw/zinc/48/50/74/487485074.db2.gz YJXLUYGFNCDPJM-GARJFASQSA-N 1 0 228.336 0.495 10 0 BCAERO CC(C)[C@@H](CO)NC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000086125736 487485084 /nfs/dbraw/zinc/48/50/84/487485084.db2.gz XOWGFKAVFTYLBE-LPEHRKFASA-N 1 0 214.309 0.247 10 0 BCAERO CC(C)(CC(N)=O)NC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000227066523 487494090 /nfs/dbraw/zinc/49/40/90/487494090.db2.gz CPNDOTFCMSUXIF-IUCAKERBSA-N 1 0 241.335 0.132 10 0 BCAERO O=C(C[C@H]1CC[NH2+]C1)N[C@@H]1CCC[C@@H](O)C1 ZINC000227724541 487494993 /nfs/dbraw/zinc/49/49/93/487494993.db2.gz KMXAELGVYNJVJA-GMTAPVOTSA-N 1 0 226.320 0.406 10 0 BCAERO O=C(C[NH2+][C@@H]1CCCC[C@H]1O)N1CCCCC1 ZINC000052013262 487497738 /nfs/dbraw/zinc/49/77/38/487497738.db2.gz PDWOGMCLADCARD-VXGBXAGGSA-N 1 0 240.347 0.892 10 0 BCAERO C[C@H](N[C@@H]1CCC[C@H]1O)c1ncn(C)n1 ZINC000391892072 487505016 /nfs/dbraw/zinc/50/50/16/487505016.db2.gz FBNLSRKTDYSGNP-DJLDLDEBSA-N 1 0 210.281 0.379 10 0 BCAERO C[C@@]1(NC(=O)[C@@H]2C[C@H]3C[C@H]3C2)CC[NH2+]C1 ZINC000300244085 487505795 /nfs/dbraw/zinc/50/57/95/487505795.db2.gz WBJYHYWYAAHIIP-DTHBNOIPSA-N 1 0 208.305 0.901 10 0 BCAERO O=C(CC[C@@H]1CC[NH2+]C1)N[C@@H]1CCC[C@H](O)C1 ZINC000134487118 487508537 /nfs/dbraw/zinc/50/85/37/487508537.db2.gz FCQRPYHGJQQSKV-UTUOFQBUSA-N 1 0 240.347 0.796 10 0 BCAERO C[NH2+][C@H](C)C(=O)N1CCC[C@H]1c1cnn(C)c1 ZINC000379822211 488153035 /nfs/dbraw/zinc/15/30/35/488153035.db2.gz TUECEIVULIFJTG-KOLCDFICSA-N 1 0 236.319 0.692 10 0 BCAERO CC(C)[C@@H]([NH3+])CC(=O)NC[C@@H](C)C[C@H](C)O ZINC000398634617 487723259 /nfs/dbraw/zinc/72/32/59/487723259.db2.gz OVVLBQNJMVHOBY-DCAQKATOSA-N 1 0 230.352 0.883 10 0 BCAERO Cc1cnn(CCNC(=O)CCC(C)(C)[NH3+])c1 ZINC000235802901 488016729 /nfs/dbraw/zinc/01/67/29/488016729.db2.gz CSXMUXNCDYYYKI-UHFFFAOYSA-N 1 0 238.335 0.825 10 0 BCAERO Cc1nc(CN2CC[C@H]3OCC[NH2+][C@@H]3C2)co1 ZINC000404076835 488146592 /nfs/dbraw/zinc/14/65/92/488146592.db2.gz FXUHKNPMPAIJSP-VXGBXAGGSA-N 1 0 237.303 0.546 10 0 BCAERO CN(C)C(=O)C[NH2+][C@@H]1CO[C@H](C2CC2)C1 ZINC000667931522 488160881 /nfs/dbraw/zinc/16/08/81/488160881.db2.gz HBGNBUCTINAILI-UWVGGRQHSA-N 1 0 212.293 0.232 10 0 BCAERO CCn1cc(C[NH2+]C[C@@H](O)C(C)(C)C)nn1 ZINC000404460491 488163291 /nfs/dbraw/zinc/16/32/91/488163291.db2.gz QRMNIFFZJXEHMZ-SNVBAGLBSA-N 1 0 226.324 0.795 10 0 BCAERO CC1(C)NC(=O)CC[C@@H]1[NH2+]Cc1cn[nH]c1 ZINC000390600908 488169808 /nfs/dbraw/zinc/16/98/08/488169808.db2.gz BFASUIJJHSUSFF-VIFPVBQESA-N 1 0 222.292 0.557 10 0 BCAERO C[N@H+](CCCO)C[C@@H]1CCC[C@H](O)C1 ZINC000308564777 488207746 /nfs/dbraw/zinc/20/77/46/488207746.db2.gz HDGWJCAJEFZVFH-MNOVXSKESA-N 1 0 201.310 0.852 10 0 BCAERO c1n[nH]cc1C[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000678184973 488214933 /nfs/dbraw/zinc/21/49/33/488214933.db2.gz YPKAXLDDVVZNHU-LBPRGKRZSA-N 1 0 236.319 0.316 10 0 BCAERO OCCC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000308733026 488220890 /nfs/dbraw/zinc/22/08/90/488220890.db2.gz WWSLCJUFQDVTDX-VXGBXAGGSA-N 1 0 213.321 0.994 10 0 BCAERO [NH3+]C1(C(=O)NC[C@@H]2CCCC[C@H]2O)CCCC1 ZINC000085986922 488222366 /nfs/dbraw/zinc/22/23/66/488222366.db2.gz WLRZTXCEMVDFIU-WDEREUQCSA-N 1 0 240.347 0.925 10 0 BCAERO C[C@H]1C[C@@H](CO)C[N@@H+]([C@@H]2CCC[C@H]2O)C1 ZINC000398685405 488222822 /nfs/dbraw/zinc/22/28/22/488222822.db2.gz HKXNNAYATBWXQD-IRCOFANPSA-N 1 0 213.321 0.850 10 0 BCAERO OCC1([NH2+]C[C@H]2CCC[C@@H](O)C2)CCOCC1 ZINC000383556230 490163393 /nfs/dbraw/zinc/16/33/93/490163393.db2.gz YVVXGEMPDWYNBW-NWDGAFQWSA-N 1 0 243.347 0.669 10 0 BCAERO CO[C@H]1C[NH2+][C@@H](C(=O)N(C)CCC(C)C)C1 ZINC000048544394 490188282 /nfs/dbraw/zinc/18/82/82/490188282.db2.gz DZFLQXFPWLUDNA-GHMZBOCLSA-N 1 0 228.336 0.868 10 0 BCAERO COc1ncccc1C(=O)N[C@H]1CCC[NH2+][C@@H]1C ZINC000229588606 490348497 /nfs/dbraw/zinc/34/84/97/490348497.db2.gz HRBPYPVYARWSDT-KOLCDFICSA-N 1 0 249.314 0.961 10 0 BCAERO C([C@H]1C[NH2+]CCO1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000216383146 490380584 /nfs/dbraw/zinc/38/05/84/490380584.db2.gz WVSVMKIYTSYOJV-JHJVBQTASA-N 1 0 240.347 0.618 10 0 BCAERO CCCCOC[C@@H](O)C[N@H+](C)C(C)(C)CO ZINC000227907953 491066938 /nfs/dbraw/zinc/06/69/38/491066938.db2.gz VBODVQZPYWEMFM-NSHDSACASA-N 1 0 233.352 0.867 10 0 BCAERO [NH3+]C1CCC(C(=O)N2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000090907768 491069466 /nfs/dbraw/zinc/06/94/66/491069466.db2.gz YHPMOGWVQGNKLN-CAODYFQJSA-N 1 0 238.331 0.894 10 0 BCAERO Cc1nc(C)c(C(=O)N2CC[C@H]([NH3+])[C@H]2C)o1 ZINC000380847373 491068164 /nfs/dbraw/zinc/06/81/64/491068164.db2.gz WVGJIRQGDWWONZ-APPZFPTMSA-N 1 0 223.276 0.853 10 0 BCAERO CC(C)(C)[C@H](O)CNC(=O)C[C@H]1CC[NH2+]C1 ZINC000324492841 491105368 /nfs/dbraw/zinc/10/53/68/491105368.db2.gz JHEQXMZQNKLYNA-NXEZZACHSA-N 1 0 228.336 0.509 10 0 BCAERO C[NH2+][C@H](C)CNS(=O)(=O)Cc1cc(C)on1 ZINC000304313141 491109963 /nfs/dbraw/zinc/10/99/63/491109963.db2.gz QWAPSPXQZWMHFJ-SSDOTTSWSA-N 1 0 247.320 0.010 10 0 BCAERO CC(C)[C@@H]([NH3+])CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC000136291171 491111838 /nfs/dbraw/zinc/11/18/38/491111838.db2.gz CWCDHVWGMWFYDP-UWVGGRQHSA-N 1 0 241.335 0.084 10 0 BCAERO C[C@]1(C(=O)N2CC[C@H]3COC[C@@H]3C2)CCC[NH2+]1 ZINC000662920278 491118165 /nfs/dbraw/zinc/11/81/65/491118165.db2.gz UQDWMTGJWIANND-GMXVVIOVSA-N 1 0 238.331 0.623 10 0 BCAERO CCc1nn(C)cc1C[NH2+][C@H]1CCCNC1=O ZINC000124017988 491121388 /nfs/dbraw/zinc/12/13/88/491121388.db2.gz OEXLGVXRDPGWJO-NSHDSACASA-N 1 0 236.319 0.351 10 0 BCAERO Cc1cc(CN2C[C@H](F)C[C@H]2C[NH3+])on1 ZINC000396503790 491123246 /nfs/dbraw/zinc/12/32/46/491123246.db2.gz YSBVDQGUDNYDDF-BDAKNGLRSA-N 1 0 213.256 0.854 10 0 BCAERO C[NH2+]C[C@H]1C[C@@H](F)CN1Cc1ncccn1 ZINC000396479520 491123249 /nfs/dbraw/zinc/12/32/49/491123249.db2.gz WTMOVJCGRWAXNV-NXEZZACHSA-N 1 0 224.283 0.608 10 0 BCAERO CCN1CCO[C@H](C[NH2+][C@@H]2CCOC[C@H]2C)C1 ZINC000302028938 491133178 /nfs/dbraw/zinc/13/31/78/491133178.db2.gz HIHNJVNAPPPPHU-JHJVBQTASA-N 1 0 242.363 0.722 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)NCCCCO ZINC000300212584 491138026 /nfs/dbraw/zinc/13/80/26/491138026.db2.gz AXWOXDRVRTVTQR-UWVGGRQHSA-N 1 0 214.309 0.250 10 0 BCAERO C1OCC12C[NH2+][C@]1(CCSC1)OC2 ZINC000757138625 582518061 /nfs/dbraw/zinc/51/80/61/582518061.db2.gz CQXRXWKQGSATOV-SECBINFHSA-N 1 0 201.291 0.456 10 0 BCAERO C1COC[C@@]2(C1)[NH2+]CC1(CCOCC1)CO2 ZINC000757138818 582518620 /nfs/dbraw/zinc/51/86/20/582518620.db2.gz DIUCWLCEGLQFNK-LBPRGKRZSA-N 1 0 227.304 0.910 10 0 BCAERO CN1CCOC[C@@]12C[NH2+]C1(CCCCC1)OC2 ZINC000757138645 582518712 /nfs/dbraw/zinc/51/87/12/582518712.db2.gz DAZNQEDRTNGBKF-GFCCVEGCSA-N 1 0 240.347 0.967 10 0 BCAERO CO[C@H](C)c1nsc(N2CC[C@H]2C[NH3+])n1 ZINC000757139380 582519633 /nfs/dbraw/zinc/51/96/33/582519633.db2.gz BDOGWGIPDVRXPQ-RQJHMYQMSA-N 1 0 228.321 0.783 10 0 BCAERO Cc1nn(C)c(CN2CC[C@@H]2C[NH3+])c1Cl ZINC000757146196 582529254 /nfs/dbraw/zinc/52/92/54/582529254.db2.gz PLPYEORYGAFYSY-MRVPVSSYSA-N 1 0 228.727 0.915 10 0 BCAERO COC[C@@H]1CCO[C@]2(COC(C)(C)C2)[NH2+]1 ZINC000757146451 582530157 /nfs/dbraw/zinc/53/01/57/582530157.db2.gz KMOJWSAFCSJBCK-GXSJLCMTSA-N 1 0 215.293 0.907 10 0 BCAERO CC1(C)COC[C@H](CN2CC[C@@H]2C[NH3+])O1 ZINC000757148237 582532046 /nfs/dbraw/zinc/53/20/46/582532046.db2.gz TWDMOFWTTZWRKB-ZJUUUORDSA-N 1 0 214.309 0.213 10 0 BCAERO CC(C)(C)[C@@H](C[NH3+])CN1CC[C@H]1C(N)=O ZINC000757148891 582533271 /nfs/dbraw/zinc/53/32/71/582533271.db2.gz UIDXSDUACRAFJO-IUCAKERBSA-N 1 0 213.325 0.167 10 0 BCAERO CC[C@@H](C)[C@@H]([NH3+])CS(=O)(=O)N1CCCC1 ZINC000757150234 582533706 /nfs/dbraw/zinc/53/37/06/582533706.db2.gz FCWFCDPWXCXYTA-ZJUUUORDSA-N 1 0 234.365 0.785 10 0 BCAERO COC[C@H]1CCO[C@@]2(CCCOCC2)[NH2+]1 ZINC000757150569 582534989 /nfs/dbraw/zinc/53/49/89/582534989.db2.gz ROHJQLICLXRCKP-GHMZBOCLSA-N 1 0 215.293 0.908 10 0 BCAERO Cc1nn(C[C@H](O)C[NH+](C)C)c(C)c1N ZINC000068985015 582595527 /nfs/dbraw/zinc/59/55/27/582595527.db2.gz FYZIWVMVUYDUEC-SECBINFHSA-N 1 0 212.297 0.005 10 0 BCAERO CCN(CC)C[C@H](C)[NH2+][C@@H](C)CC(=O)NC ZINC000167313466 535589914 /nfs/dbraw/zinc/58/99/14/535589914.db2.gz NAPWYBKHXVQYQC-QWRGUYRKSA-N 1 0 229.368 0.831 10 0 BCAERO CC[C@@H]1CN(c2nccnc2C(N)=[NH2+])CCO1 ZINC000054379628 535871406 /nfs/dbraw/zinc/87/14/06/535871406.db2.gz MNCZWVPHHFHPCW-MRVPVSSYSA-N 1 0 235.291 0.376 10 0 BCAERO CC[C@]1(C)C[C@@H]1C(=O)NC[C@H]1C[NH2+]C[C@H]1O ZINC000262343484 535930374 /nfs/dbraw/zinc/93/03/74/535930374.db2.gz TYOIIPATSLZXFR-DNRKLUKYSA-N 1 0 226.320 0.119 10 0 BCAERO CN(C(=O)[C@H]1C[C@H](F)C[NH2+]1)C1CCC1 ZINC000262099477 536064746 /nfs/dbraw/zinc/06/47/46/536064746.db2.gz IKVTVOZHYWPNJC-IONNQARKSA-N 1 0 200.257 0.697 10 0 BCAERO C[C@@H]1CN(C(=O)/C=C\c2cccnc2)C[C@@H]1[NH3+] ZINC000493395189 534277058 /nfs/dbraw/zinc/27/70/58/534277058.db2.gz DDNISFUWONVTFX-SFLCEZBHSA-N 1 0 231.299 0.900 10 0 BCAERO CC(=O)NCCC[N@@H+]1CCS[C@@H](C)C1 ZINC000171687185 534390217 /nfs/dbraw/zinc/39/02/17/534390217.db2.gz RZRIDLFFVFQKFY-VIFPVBQESA-N 1 0 216.350 0.950 10 0 BCAERO CCCC[N@@H+]1CCc2[nH]c(=O)[nH]c(=O)c2C1 ZINC000229007081 520596444 /nfs/dbraw/zinc/59/64/44/520596444.db2.gz XPIWUOGLXXRTOM-UHFFFAOYSA-N 1 0 223.276 0.221 10 0 BCAERO CC(C)(C)CCC(=O)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000262062612 534576469 /nfs/dbraw/zinc/57/64/69/534576469.db2.gz AZHXRHLPPOJDDE-VHSXEESVSA-N 1 0 228.336 0.509 10 0 BCAERO C[N@@H+]1CCCC[C@H]1CCN1CCO[C@@H](CO)C1 ZINC000227332781 536356956 /nfs/dbraw/zinc/35/69/56/536356956.db2.gz FWJYCPMOYAGLKY-QWHCGFSZSA-N 1 0 242.363 0.554 10 0 BCAERO CN(C)[C@@]1(C(N)=O)CC[N@H+](Cc2ccccc2)C1 ZINC000095533122 522063919 /nfs/dbraw/zinc/06/39/19/522063919.db2.gz XMZLVSUYOLDJQH-AWEZNQCLSA-N 1 0 247.342 0.678 10 0 BCAERO CN(C)[C@]1(C(N)=O)CC[N@H+](Cc2ccccc2)C1 ZINC000095533121 522110670 /nfs/dbraw/zinc/11/06/70/522110670.db2.gz XMZLVSUYOLDJQH-CQSZACIVSA-N 1 0 247.342 0.678 10 0 BCAERO CN(C)c1nccc(N2C[C@@H](F)C[C@H]2C[NH3+])n1 ZINC000238852905 522362715 /nfs/dbraw/zinc/36/27/15/522362715.db2.gz HUHDAUQJXYGYPH-IUCAKERBSA-N 1 0 239.298 0.418 10 0 BCAERO COC(OC)c1cc(N2CC[NH2+]CC2)n[nH]1 ZINC000057354343 522536432 /nfs/dbraw/zinc/53/64/32/522536432.db2.gz YGLPUGFRJWLUKO-UHFFFAOYSA-N 1 0 226.280 0.111 10 0 BCAERO Cc1cccc(C(=O)NCCOCC[NH3+])c1 ZINC000074533344 524194556 /nfs/dbraw/zinc/19/45/56/524194556.db2.gz CYWYQWZEUVMLQF-UHFFFAOYSA-N 1 0 222.288 0.700 10 0 BCAERO Cc1ccc(CNC(=O)CN2CC[C@@H]([NH3+])C2)o1 ZINC000229005486 524505030 /nfs/dbraw/zinc/50/50/30/524505030.db2.gz JQPUDUHRGWZQMM-SNVBAGLBSA-N 1 0 237.303 0.237 10 0 BCAERO CCC[NH2+][C@H](Cn1ccnc1C)C(N)=O ZINC000045432848 582878730 /nfs/dbraw/zinc/87/87/30/582878730.db2.gz PSYKRODWGHMPOW-SECBINFHSA-N 1 0 210.281 0.045 10 0 BCAERO C[NH2+][C@@](C)(CCn1cc(C)cn1)C(N)=O ZINC000045436464 582879221 /nfs/dbraw/zinc/87/92/21/582879221.db2.gz DDARPDSXGITCEF-JTQLQIEISA-N 1 0 210.281 0.045 10 0 BCAERO CC(C)[NH2+][C@](C)(Cn1ccnc1)C(N)=O ZINC000045432246 582879400 /nfs/dbraw/zinc/87/94/00/582879400.db2.gz DTALEEUMXJIWBF-SNVBAGLBSA-N 1 0 210.281 0.125 10 0 BCAERO C[NH2+][C@](C)(CCn1ccnc1C)C(N)=O ZINC000045433110 582879528 /nfs/dbraw/zinc/87/95/28/582879528.db2.gz JFOSZTHRCQXDCJ-SNVBAGLBSA-N 1 0 210.281 0.045 10 0 BCAERO Cc1cc(NC(=O)CN2CCC([NH3+])CC2)n[nH]1 ZINC000092714989 525139029 /nfs/dbraw/zinc/13/90/29/525139029.db2.gz NGNFZTRPLVEUNR-UHFFFAOYSA-N 1 0 237.307 0.080 10 0 BCAERO CC1(C)C[C@H]1CNC(=O)C1(C[NH3+])CCOCC1 ZINC000232809853 534909935 /nfs/dbraw/zinc/90/99/35/534909935.db2.gz MHMRCVLYSNWNEY-JTQLQIEISA-N 1 0 240.347 0.904 10 0 BCAERO C[C@H]1CC(C(=O)[O-])([NH+](C)C)C[C@H](C)[NH+]1C ZINC000057354476 526220328 /nfs/dbraw/zinc/22/03/28/526220328.db2.gz JZSPWNWCWXCISM-IUCAKERBSA-N 1 0 214.309 0.874 10 0 BCAERO Brc1ccc(C2C[NH2+]C2)nn1 ZINC000307581182 526638380 /nfs/dbraw/zinc/63/83/80/526638380.db2.gz FNHRBYPHOGYPQQ-UHFFFAOYSA-N 1 0 214.066 0.926 10 0 BCAERO C[NH2+]C[C@H]1CCCN(c2ncccn2)C1 ZINC000040602120 536466314 /nfs/dbraw/zinc/46/63/14/536466314.db2.gz NQJIOGIONUSKJO-SNVBAGLBSA-N 1 0 206.293 0.912 10 0 BCAERO [NH3+]CCNC(=O)c1ccnc(Br)c1 ZINC000226040436 527188903 /nfs/dbraw/zinc/18/89/03/527188903.db2.gz VKMIEHAKSRJFON-UHFFFAOYSA-N 1 0 244.092 0.533 10 0 BCAERO [NH3+]CCOCCNC(=O)CCc1ccco1 ZINC000082589679 527189282 /nfs/dbraw/zinc/18/92/82/527189282.db2.gz HMYQKLXTEVEGFA-UHFFFAOYSA-N 1 0 226.276 0.304 10 0 BCAERO CC(C)(O)C(C)(C)[NH2+]C[C@H]1CNC(=O)O1 ZINC000309018304 527313057 /nfs/dbraw/zinc/31/30/57/527313057.db2.gz VOGFUIHGEMESFO-SSDOTTSWSA-N 1 0 216.281 0.234 10 0 BCAERO [NH3+][C@H]1CCN(Cc2cnnn2-c2ccccc2)C1 ZINC000229013089 527410919 /nfs/dbraw/zinc/41/09/19/527410919.db2.gz VUGVVGVJKQHGEY-NSHDSACASA-N 1 0 243.314 0.800 10 0 BCAERO O=C(NC1CC1)c1cc([C@H]2CCC[NH2+]C2)n[nH]1 ZINC000229006671 527494393 /nfs/dbraw/zinc/49/43/93/527494393.db2.gz PNSDIDFEOLZXIQ-QMMMGPOBSA-N 1 0 234.303 0.769 10 0 BCAERO Cn1ncc(N2CCC([NH3+])CC2)c(Cl)c1=O ZINC000164048643 527573400 /nfs/dbraw/zinc/57/34/00/527573400.db2.gz XMACWINHYDKPOT-UHFFFAOYSA-N 1 0 242.710 0.361 10 0 BCAERO COC1(C(=O)N[C@@H]2CCO[C@H]2C)CC[NH2+]CC1 ZINC000261540729 536538799 /nfs/dbraw/zinc/53/87/99/536538799.db2.gz AKPOIEPJEGATNE-VHSXEESVSA-N 1 0 242.319 0.049 10 0 BCAERO COC1(C(=O)N[C@@H]2CCO[C@@H]2C)CC[NH2+]CC1 ZINC000261540725 536538220 /nfs/dbraw/zinc/53/82/20/536538220.db2.gz AKPOIEPJEGATNE-NXEZZACHSA-N 1 0 242.319 0.049 10 0 BCAERO CCC(C)(C)NC(=O)C[N@@H+]1C[C@H](C)C[C@H](O)C1 ZINC000401659574 528548914 /nfs/dbraw/zinc/54/89/14/528548914.db2.gz OSPBXXNBRNUKCL-MNOVXSKESA-N 1 0 242.363 0.994 10 0 BCAERO CCOC(=O)CC[N@@H+]1C[C@@H](C)C[C@H](O)C1 ZINC000401914154 528728844 /nfs/dbraw/zinc/72/88/44/528728844.db2.gz RNRKTGBINOZAJH-UWVGGRQHSA-N 1 0 215.293 0.642 10 0 BCAERO CCSCCN1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000308859743 529180142 /nfs/dbraw/zinc/18/01/42/529180142.db2.gz ZJDNXODNJWDSRA-VHSXEESVSA-N 1 0 216.350 0.412 10 0 BCAERO CC(C)[C@H](C)NC(=O)C[N@@H+]1CC[C@@H](CCO)C1 ZINC000227567481 534961248 /nfs/dbraw/zinc/96/12/48/534961248.db2.gz JKFKDOUXFLDYBL-RYUDHWBXSA-N 1 0 242.363 0.851 10 0 BCAERO CC(C)(C)OC[C@@H](O)C[N@@H+]1CC[C@@](C)(O)C1 ZINC000177069921 534985076 /nfs/dbraw/zinc/98/50/76/534985076.db2.gz OSJLGOXTPPKDIA-CMPLNLGQSA-N 1 0 231.336 0.619 10 0 BCAERO CCCNC(=O)CCCC(=O)NC[C@@H](C)[NH2+]C ZINC000261830328 535028188 /nfs/dbraw/zinc/02/81/88/535028188.db2.gz VJYTYOZEEKUBGA-SNVBAGLBSA-N 1 0 243.351 0.407 10 0 BCAERO CC(C)[C@H]([NH3+])C(=O)NC[C@H]1CCCC[C@H]1O ZINC000082995385 535056642 /nfs/dbraw/zinc/05/66/42/535056642.db2.gz ZKNKRTSVGSPHKM-MXWKQRLJSA-N 1 0 228.336 0.637 10 0 BCAERO CC(C)[C@H](NC(=O)CC[C@H]1CCC[NH2+]1)C(N)=O ZINC000261554832 535078180 /nfs/dbraw/zinc/07/81/80/535078180.db2.gz PDBHUTWZYTYPPC-KOLCDFICSA-N 1 0 241.335 0.145 10 0 BCAERO CCCNC(=O)c1ccc(N2CC[NH2+]CC2)nc1 ZINC000049836487 535127223 /nfs/dbraw/zinc/12/72/23/535127223.db2.gz SFLCFKFCAJIMLS-UHFFFAOYSA-N 1 0 248.330 0.631 10 0 BCAERO CC1(C)CN(C(=O)Cc2cc[nH]n2)CC[C@@H]1[NH3+] ZINC000261829986 535337110 /nfs/dbraw/zinc/33/71/10/535337110.db2.gz IGBRUQWPDWBXLM-JTQLQIEISA-N 1 0 236.319 0.538 10 0 BCAERO CC1(C)CN(C(=O)[C@@H]2CCC[C@H]2[NH3+])CCO1 ZINC000082920843 535344124 /nfs/dbraw/zinc/34/41/24/535344124.db2.gz YMSDQKZNIYFEEM-NXEZZACHSA-N 1 0 226.320 0.751 10 0 BCAERO CCN(CC)C(=O)CCC(=O)NCC[C@@H](C)[NH3+] ZINC000178693132 535402233 /nfs/dbraw/zinc/40/22/33/535402233.db2.gz KYLQIPRBOXGABQ-SNVBAGLBSA-N 1 0 243.351 0.489 10 0 BCAERO CCNC(=O)[C@H](C)[NH2+]CC1CCOCC1 ZINC000052172407 535403945 /nfs/dbraw/zinc/40/39/45/535403945.db2.gz AHDAMPYAVBLAAC-VIFPVBQESA-N 1 0 214.309 0.527 10 0 BCAERO CCC[C@@H]1CCCN(C(=O)[C@H]([NH3+])COC)C1 ZINC000262288128 535419789 /nfs/dbraw/zinc/41/97/89/535419789.db2.gz MPCHFSXBUUWQAP-GHMZBOCLSA-N 1 0 228.336 0.999 10 0 BCAERO CCO[C@@H]1C[C@@H]1C(=O)N1CC[NH2+]C[C@H]1C ZINC000179108715 535424004 /nfs/dbraw/zinc/42/40/04/535424004.db2.gz PQVUKFYUAFZFIG-KXUCPTDWSA-N 1 0 212.293 0.232 10 0 BCAERO CCO[C@@H]1C[C@@H]1C(=O)N1CCC[C@H]([NH3+])C1 ZINC000178331064 535424260 /nfs/dbraw/zinc/42/42/60/535424260.db2.gz CEHPVYAKCREKOB-LPEHRKFASA-N 1 0 212.293 0.361 10 0 BCAERO CC[C@@H](C)CNC(=O)C[C@H]1COCC[NH2+]1 ZINC000087509506 535516568 /nfs/dbraw/zinc/51/65/68/535516568.db2.gz QLZKYOWSXNBSSB-ZJUUUORDSA-N 1 0 214.309 0.527 10 0 BCAERO CCO[C@H](C)C(=O)N1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000261881576 535549598 /nfs/dbraw/zinc/54/95/98/535549598.db2.gz UDABIIOBSXSNIA-GMTAPVOTSA-N 1 0 228.336 0.997 10 0 BCAERO CCOc1cncc(N2CCC[C@@H]([NH3+])C2)n1 ZINC000070580074 535564184 /nfs/dbraw/zinc/56/41/84/535564184.db2.gz XTFRWVWWHWTFPN-SECBINFHSA-N 1 0 222.292 0.803 10 0 BCAERO CC[C@@H](C)NC(=O)CN(C)[C@H]1CCC[NH2+]CC1 ZINC000261540117 535575656 /nfs/dbraw/zinc/57/56/56/535575656.db2.gz DPHBFXOZCAVZOD-NEPJUHHUSA-N 1 0 241.379 0.975 10 0 BCAERO CCCn1nccc1NC(=O)[C@H]([NH3+])COC ZINC000262030552 535641294 /nfs/dbraw/zinc/64/12/94/535641294.db2.gz FADOIDZYRVHTQA-MRVPVSSYSA-N 1 0 226.280 0.205 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N[C@H]1CCC[C@H](C(N)=O)C1 ZINC000262107489 535680020 /nfs/dbraw/zinc/68/00/20/535680020.db2.gz GBMFOYUMMIDQQT-GUBZILKMSA-N 1 0 241.335 0.274 10 0 BCAERO CCN1CCN(c2cc(C)[nH+]c(N)n2)[C@H](C)C1=O ZINC000032581043 535743037 /nfs/dbraw/zinc/74/30/37/535743037.db2.gz OOMMYSLMWBPWGR-SECBINFHSA-N 1 0 249.318 0.424 10 0 BCAERO CC[C@@H](NC(=O)[C@@H]1CCC[C@@H]1C[NH3+])C(=O)OC ZINC000261619352 535798273 /nfs/dbraw/zinc/79/82/73/535798273.db2.gz AQGHJDYWUZUEGO-OPRDCNLKSA-N 1 0 242.319 0.429 10 0 BCAERO CC[C@@H](NC(=O)[C@H]([NH3+])COC)c1ccncc1 ZINC000262352491 535798771 /nfs/dbraw/zinc/79/87/71/535798771.db2.gz UPHXYVISQANQNW-GHMZBOCLSA-N 1 0 237.303 0.623 10 0 BCAERO CC[C@@H]1CCCN1C(=O)[C@H]([NH3+])COC ZINC000088003375 535820284 /nfs/dbraw/zinc/82/02/84/535820284.db2.gz HXBBUCBVHUHEJN-RKDXNWHRSA-N 1 0 200.282 0.361 10 0 BCAERO C[NH+](C)CCCN1c2ccc(N)cc2OCC1=O ZINC000011568792 535832700 /nfs/dbraw/zinc/83/27/00/535832700.db2.gz KNCKIAXVEZKBBQ-UHFFFAOYSA-N 1 0 249.314 0.946 10 0 BCAERO CC[C@@H]1CN(C(=O)[C@H]([NH3+])CCSC)C[C@@H]1O ZINC000262603113 535837921 /nfs/dbraw/zinc/83/79/21/535837921.db2.gz ZFVDIAVBWTXSTL-BBBLOLIVSA-N 1 0 246.376 0.296 10 0 BCAERO CCn1nccc1CN1CC[C@@H]([NH3+])[C@@H]1C ZINC000261537443 535871425 /nfs/dbraw/zinc/87/14/25/535871425.db2.gz VPENTMVJVVRPOH-GXSJLCMTSA-N 1 0 208.309 0.825 10 0 BCAERO CCn1c(C)nnc1CN(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000262003844 535973003 /nfs/dbraw/zinc/97/30/03/535973003.db2.gz QSLOEALCXVGHJC-GFCCVEGCSA-N 1 0 249.362 0.933 10 0 BCAERO CC[C@H](OC)C(=O)N1CC[C@H](C)C[C@@H]1C[NH3+] ZINC000261714062 536017452 /nfs/dbraw/zinc/01/74/52/536017452.db2.gz GKWJJSRBMGGUFQ-AXFHLTTASA-N 1 0 228.336 0.997 10 0 BCAERO CC[C@H](OC)C(=O)N1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000261714067 536017824 /nfs/dbraw/zinc/01/78/24/536017824.db2.gz GKWJJSRBMGGUFQ-MXWKQRLJSA-N 1 0 228.336 0.997 10 0 BCAERO CN(C(=O)[C@@H]([NH3+])C1CCOCC1)C1CCC1 ZINC000262558588 536058339 /nfs/dbraw/zinc/05/83/39/536058339.db2.gz QEGFKAYPVDSGNU-NSHDSACASA-N 1 0 226.320 0.751 10 0 BCAERO CN(C)Nc1[nH+]cnc(N2CCCCC2)c1N ZINC000040724727 536063505 /nfs/dbraw/zinc/06/35/05/536063505.db2.gz HRESWYRNAMWGQG-UHFFFAOYSA-N 1 0 236.323 0.938 10 0 BCAERO CCc1c(C)nc(N2CCC([NH3+])CC2)[nH]c1=O ZINC000057329897 536069784 /nfs/dbraw/zinc/06/97/84/536069784.db2.gz CIIFSJRKMYZSPU-UHFFFAOYSA-N 1 0 236.319 0.568 10 0 BCAERO CC[C@H](C)NC(=O)[C@H](C)N1C[C@H]([NH3+])[C@@H](C)C1 ZINC000261532391 536164699 /nfs/dbraw/zinc/16/46/99/536164699.db2.gz ASJCBHRYNZBNSD-NAKRPEOUSA-N 1 0 227.352 0.569 10 0 BCAERO CCc1nn(C)cc1CNC(=O)C1([NH3+])CC1 ZINC000166592007 536186567 /nfs/dbraw/zinc/18/65/67/536186567.db2.gz BYRYSAUQQMTKRY-UHFFFAOYSA-N 1 0 222.292 0.090 10 0 BCAERO Cn1cc(CCCn2cc[nH+]c2N)cn1 ZINC000702623656 582926393 /nfs/dbraw/zinc/92/63/93/582926393.db2.gz SPPQDFOCRFAQQP-UHFFFAOYSA-N 1 0 205.265 0.832 10 0 BCAERO C[NH2+][C@@H](C)CNC(=O)Cn1cc2ccccc2n1 ZINC000261694882 536340124 /nfs/dbraw/zinc/34/01/24/536340124.db2.gz ISVGRPXSFGQGDS-JTQLQIEISA-N 1 0 246.314 0.760 10 0 BCAERO C[NH2+][C@@H](C)CNC(=O)c1ccc(F)cn1 ZINC000261534843 536342313 /nfs/dbraw/zinc/34/23/13/536342313.db2.gz NEJJUJLZSLWMAE-ZETCQYMHSA-N 1 0 211.240 0.558 10 0 BCAERO C[NH2+][C@@H](C)CNC(=O)c1cn2ccc(C)cc2n1 ZINC000261820672 536343179 /nfs/dbraw/zinc/34/31/79/536343179.db2.gz UJAOGQGWWYDWNZ-JTQLQIEISA-N 1 0 246.314 0.980 10 0 BCAERO C[N@@H+]1CCCC[C@H]1CCSC[C@H](O)CO ZINC000086660940 536357325 /nfs/dbraw/zinc/35/73/25/536357325.db2.gz YEFPCKLBAGMHMX-WDEREUQCSA-N 1 0 233.377 0.947 10 0 BCAERO C[NH2+][C@H](C)CNC(=O)c1ncncc1Cl ZINC000261544882 536401995 /nfs/dbraw/zinc/40/19/95/536401995.db2.gz JHTOPJWXKVJWMT-ZCFIWIBFSA-N 1 0 228.683 0.468 10 0 BCAERO C[NH2+][C@H](C)CNS(=O)(=O)c1sccc1C ZINC000261544048 536403892 /nfs/dbraw/zinc/40/38/92/536403892.db2.gz IMJNXNFSJRQMSH-MRVPVSSYSA-N 1 0 248.373 0.943 10 0 BCAERO C[NH2+][C@H](C)CNc1cc(C)nc2ncnn21 ZINC000261584090 536404528 /nfs/dbraw/zinc/40/45/28/536404528.db2.gz PKWFRGCTGSVVDL-MRVPVSSYSA-N 1 0 220.280 0.453 10 0 BCAERO C[NH2+]C[C@H]1CCCN1CC(=O)N(C)C(C)C ZINC000169277217 536466952 /nfs/dbraw/zinc/46/69/52/536466952.db2.gz NPEKAOXNNCAAJJ-LLVKDONJSA-N 1 0 227.352 0.537 10 0 BCAERO CN(Cc1cccc(F)c1)[C@H]1C[NH2+]C[C@@H]1O ZINC000082524379 536476762 /nfs/dbraw/zinc/47/67/62/536476762.db2.gz LFNKBKZUILSIHP-RYUDHWBXSA-N 1 0 224.279 0.590 10 0 BCAERO CO[C@H](C[NH3+])C(=O)N1C[C@H]2CCCC[C@@H]2C1 ZINC000261539450 536558258 /nfs/dbraw/zinc/55/82/58/536558258.db2.gz CLPSXHZKIQVZQS-GMTAPVOTSA-N 1 0 226.320 0.609 10 0 BCAERO CO[C@H](C[NH3+])CC(=O)NC[C@H]1CCCC[C@@H]1O ZINC000232121363 536565836 /nfs/dbraw/zinc/56/58/36/536565836.db2.gz AKQSNHRAUAJDKC-VWYCJHECSA-N 1 0 244.335 0.018 10 0 BCAERO CO[C@H](C[NH3+])CC(=O)NC[C@H]1CCCC[C@H]1O ZINC000261539610 536566505 /nfs/dbraw/zinc/56/65/05/536566505.db2.gz AKQSNHRAUAJDKC-OUAUKWLOSA-N 1 0 244.335 0.018 10 0 BCAERO COCCCNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171896350 536575696 /nfs/dbraw/zinc/57/56/96/536575696.db2.gz ABANYMUAMSSLKK-LLVKDONJSA-N 1 0 241.335 0.513 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N(CC1CC1)CC1CC1 ZINC000088004513 536652999 /nfs/dbraw/zinc/65/29/99/536652999.db2.gz RIZBRLNLFYOZCD-LLVKDONJSA-N 1 0 226.320 0.609 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N1CC[C@@H](OCC(C)C)C1 ZINC000262281535 536658540 /nfs/dbraw/zinc/65/85/40/536658540.db2.gz LVPFREJKGQSREF-GHMZBOCLSA-N 1 0 244.335 0.234 10 0 BCAERO COC(=O)c1ccc(CN2C[C@@H](C)[C@H]([NH3+])C2)nc1 ZINC000261549736 536678776 /nfs/dbraw/zinc/67/87/76/536678776.db2.gz JJUAEHROFTYDJQ-BXKDBHETSA-N 1 0 249.314 0.647 10 0 BCAERO COC(=O)c1ccc(CN2C[C@H](C)[C@H]([NH3+])C2)[nH]1 ZINC000262149936 536679951 /nfs/dbraw/zinc/67/99/51/536679951.db2.gz ZUXHIPACNLZUFV-WCBMZHEXSA-N 1 0 237.303 0.580 10 0 BCAERO COc1cc(C)nc(N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)n1 ZINC000261580414 536701341 /nfs/dbraw/zinc/70/13/41/536701341.db2.gz QBBJRYQVKAFRDK-GARJFASQSA-N 1 0 248.330 0.967 10 0 BCAERO COc1cc(O)cc(N2CC[NH2+]CC2)c1 ZINC000059583582 536856420 /nfs/dbraw/zinc/85/64/20/536856420.db2.gz XVBYAPMKFQZSJF-UHFFFAOYSA-N 1 0 208.261 0.810 10 0 BCAERO COC[C@H]([NH3+])C(=O)N1CCC[C@@H](C)CC1 ZINC000088004347 536859529 /nfs/dbraw/zinc/85/95/29/536859529.db2.gz SKNNAIJZCZVXRB-ZJUUUORDSA-N 1 0 214.309 0.609 10 0 BCAERO COC[C@H]([NH3+])C(=O)NCCc1sccc1C ZINC000262384375 536864357 /nfs/dbraw/zinc/86/43/57/536864357.db2.gz YGDYUMIARMLZJK-VIFPVBQESA-N 1 0 242.344 0.689 10 0 BCAERO CO[C@@H](CNC(=O)C1C[NH2+]C1)c1ccccc1 ZINC000263236793 536896465 /nfs/dbraw/zinc/89/64/65/536896465.db2.gz BSDVWCNCTNWLGZ-LBPRGKRZSA-N 1 0 234.299 0.710 10 0 BCAERO O=S1(=O)CC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000075128370 537926639 /nfs/dbraw/zinc/92/66/39/537926639.db2.gz BEANQXRJUIUMKN-DTWKUNHWSA-N 1 0 203.307 0.421 10 0 BCAERO C[N@@H+]1CCCC[C@@H]1CCn1ncc(N)n1 ZINC000725250701 538028044 /nfs/dbraw/zinc/02/80/44/538028044.db2.gz OYERFXXNIGZFHF-SECBINFHSA-N 1 0 209.297 0.735 10 0 BCAERO C[N@@H+]1CCCC[C@H]1CCn1ncc(N)n1 ZINC000725250702 538027827 /nfs/dbraw/zinc/02/78/27/538027827.db2.gz OYERFXXNIGZFHF-VIFPVBQESA-N 1 0 209.297 0.735 10 0 BCAERO C[C@H]1C[C@@H]1Cn1nnc(C[NH3+])c1-c1ccnn1C ZINC000725257191 538061604 /nfs/dbraw/zinc/06/16/04/538061604.db2.gz INQWMVSLUOVDRJ-DTWKUNHWSA-N 1 0 246.318 0.793 10 0 BCAERO C[C@H]1C[C@H]1Cn1nnc(C[NH3+])c1-c1ccnn1C ZINC000725257192 538061817 /nfs/dbraw/zinc/06/18/17/538061817.db2.gz INQWMVSLUOVDRJ-IUCAKERBSA-N 1 0 246.318 0.793 10 0 BCAERO C[C@@H](CO)C[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000231637573 566314536 /nfs/dbraw/zinc/31/45/36/566314536.db2.gz NBRIJRNXPJHMCV-VXGBXAGGSA-N 1 0 228.336 0.021 10 0 BCAERO CCNC(=O)NC[C@]12C[C@H](C[NH2+]1)CCC2 ZINC000675051899 566374707 /nfs/dbraw/zinc/37/47/07/566374707.db2.gz WWLHZZCJPQVLEQ-KOLCDFICSA-N 1 0 211.309 0.838 10 0 BCAERO CC(C)C[NH2+]C[C@H](O)C[C@]1(O)CCOC1 ZINC000669381257 566425060 /nfs/dbraw/zinc/42/50/60/566425060.db2.gz DDVJBWPWRIHJKP-GHMZBOCLSA-N 1 0 217.309 0.134 10 0 BCAERO CCO[C@@H]1CC[C@H]2[NH2+]CCN(C(C)C)[C@@H]2N1 ZINC000669380684 566425697 /nfs/dbraw/zinc/42/56/97/566425697.db2.gz SWOPHNIPUCXXJQ-UTUOFQBUSA-N 1 0 227.352 0.741 10 0 BCAERO c1cc([C@H]2CCNC3=[NH+]CCN32)ccn1 ZINC000232480398 566490909 /nfs/dbraw/zinc/49/09/09/566490909.db2.gz AYDTZVHZIMWPEL-SNVBAGLBSA-N 1 0 202.261 0.788 10 0 BCAERO NC(=O)c1cccc2[nH]c(C3([NH3+])CC3)nc21 ZINC000040379267 581100481 /nfs/dbraw/zinc/10/04/81/581100481.db2.gz CTAXYWYGXVJMON-UHFFFAOYSA-N 1 0 216.244 0.610 10 0 BCAERO COC(=O)[C@H](C)CN(C)C(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000111269723 588738394 /nfs/dbraw/zinc/73/83/94/588738394.db2.gz DMYGCEGFGGLTNN-OPRDCNLKSA-N 1 0 242.319 0.109 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1c1nc(-c2ncccn2)no1 ZINC000111256431 588738119 /nfs/dbraw/zinc/73/81/19/588738119.db2.gz MCBHZLAJWHYBMP-HTQZYQBOSA-N 1 0 231.259 0.850 10 0 BCAERO COC(=O)[C@@H]1CCCN([C@@H]2CCOC2=O)C1 ZINC000112336473 588794425 /nfs/dbraw/zinc/79/44/25/588794425.db2.gz CAKZISYAAWUXHB-RKDXNWHRSA-N 1 0 227.260 0.187 10 0 BCAERO COCCC(=O)c1nc(CC[NH3+])cs1 ZINC000757124837 582499261 /nfs/dbraw/zinc/49/92/61/582499261.db2.gz PKAIDKLEKOTKAM-UHFFFAOYSA-N 1 0 214.290 0.864 10 0 BCAERO COc1cccc(Cn2cc[nH+]c2N)n1 ZINC000234972442 582500893 /nfs/dbraw/zinc/50/08/93/582500893.db2.gz HFURPDRTRQQLIC-UHFFFAOYSA-N 1 0 204.233 0.917 10 0 BCAERO O=S1(=O)CC[C@@]2(C1)[NH2+][C@@H](C1CC1)CCO2 ZINC000757139313 582519097 /nfs/dbraw/zinc/51/90/97/582519097.db2.gz GCGNXQWBKUSZJA-NXEZZACHSA-N 1 0 231.317 0.290 10 0 BCAERO O=S1(=O)CC[C@]2(C1)[NH2+][C@@H](C1CC1)CCO2 ZINC000757139319 582519278 /nfs/dbraw/zinc/51/92/78/582519278.db2.gz GCGNXQWBKUSZJA-ZJUUUORDSA-N 1 0 231.317 0.290 10 0 BCAERO CC(C)n1ccnc1CN1CC[C@@H]1C[NH3+] ZINC000757140489 582520800 /nfs/dbraw/zinc/52/08/00/582520800.db2.gz BWYMHJGHEPKDJN-SNVBAGLBSA-N 1 0 208.309 0.997 10 0 BCAERO [NH3+]C[C@@H]1CCN1c1ccnc(C2CC2)n1 ZINC000757140769 582520837 /nfs/dbraw/zinc/52/08/37/582520837.db2.gz FKTOETXTAQBZEF-VIFPVBQESA-N 1 0 204.277 0.891 10 0 BCAERO C1C[C@]2(CO1)CC[NH2+]C1(CCOCC1)O2 ZINC000757144245 582524455 /nfs/dbraw/zinc/52/44/55/582524455.db2.gz NJVZDTLEIVZFCO-JTQLQIEISA-N 1 0 213.277 0.662 10 0 BCAERO NC(=O)[C@@H]1CCN1CC[C@H]1CCCC[NH2+]1 ZINC000757144326 582525118 /nfs/dbraw/zinc/52/51/18/582525118.db2.gz IYWJPIZTKQAMRN-ZJUUUORDSA-N 1 0 211.309 0.078 10 0 BCAERO NC(=O)[C@@H]1CCN1CC[C@@H]1CCCC[NH2+]1 ZINC000757144317 582525440 /nfs/dbraw/zinc/52/54/40/582525440.db2.gz IYWJPIZTKQAMRN-UWVGGRQHSA-N 1 0 211.309 0.078 10 0 BCAERO COc1ccc(CN2CC[C@@H]2C[NH3+])nn1 ZINC000757146078 582529182 /nfs/dbraw/zinc/52/91/82/582529182.db2.gz OXYLZWRNDVTXEH-SECBINFHSA-N 1 0 208.265 0.018 10 0 BCAERO Cc1nn(C)c(Cl)c1CN1CC[C@H]1C[NH3+] ZINC000757147997 582531881 /nfs/dbraw/zinc/53/18/81/582531881.db2.gz VFLNPJQYMJIXGV-QMMMGPOBSA-N 1 0 228.727 0.915 10 0 BCAERO [NH3+][C@H](CS(=O)(=O)N1C2CCC1CC2)C1CC1 ZINC000757150981 582534718 /nfs/dbraw/zinc/53/47/18/582534718.db2.gz LSINGULUSSQWHS-VQXHTEKXSA-N 1 0 244.360 0.680 10 0 BCAERO CCC(CC)[C@H]([NH3+])CS(=O)(=O)N(C)C ZINC000757151600 582535497 /nfs/dbraw/zinc/53/54/97/582535497.db2.gz IKJCBCCSAJFWRM-SECBINFHSA-N 1 0 222.354 0.641 10 0 BCAERO CC(C)C[C@H]([NH3+])CS(=O)(=O)N(C)C ZINC000757151348 582535599 /nfs/dbraw/zinc/53/55/99/582535599.db2.gz GHPXFKAHAYPDRV-QMMMGPOBSA-N 1 0 208.327 0.251 10 0 BCAERO C[C@@H]([NH3+])CS(=O)(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000757153416 582537465 /nfs/dbraw/zinc/53/74/65/582537465.db2.gz PDPZUFQRWHKJKX-KXUCPTDWSA-N 1 0 234.365 0.641 10 0 BCAERO CCN(C)S(=O)(=O)C[C@H]([NH3+])C(C)C ZINC000757153771 582539210 /nfs/dbraw/zinc/53/92/10/582539210.db2.gz RQNOEMCBGUVEOO-QMMMGPOBSA-N 1 0 208.327 0.251 10 0 BCAERO [NH3+]C[C@H]1CCN1c1nccn2nccc12 ZINC000757153945 582539325 /nfs/dbraw/zinc/53/93/25/582539325.db2.gz WLTKMGDAADSRIA-MRVPVSSYSA-N 1 0 203.249 0.267 10 0 BCAERO CC[C@H](CC(N)=S)[N@@H+]1CC[C@@H]1C(N)=O ZINC000757160335 582544305 /nfs/dbraw/zinc/54/43/05/582544305.db2.gz RORMSWGFNZMZTQ-RNFRBKRXSA-N 1 0 215.322 0.001 10 0 BCAERO CC[C@@H](CC(N)=S)[N@@H+]1CC[C@H]1C(N)=O ZINC000757160314 582544447 /nfs/dbraw/zinc/54/44/47/582544447.db2.gz RORMSWGFNZMZTQ-BQBZGAKWSA-N 1 0 215.322 0.001 10 0 BCAERO COC(=O)[C@@H]1C[NH2+]C[C@H]1c1csc(C)n1 ZINC000757191223 582556785 /nfs/dbraw/zinc/55/67/85/582556785.db2.gz SFLUFHZUZUYIPA-HTQZYQBOSA-N 1 0 226.301 0.928 10 0 BCAERO CC(C)(C)OC(=O)N1CC([C@@H](C[NH3+])CO)C1 ZINC000757193551 582557776 /nfs/dbraw/zinc/55/77/76/582557776.db2.gz XCGUCUAKRJSJNT-QMMMGPOBSA-N 1 0 230.308 0.421 10 0 BCAERO [NH3+][C@H]1CNC[C@H](c2ccc(C=O)s2)C1 ZINC000757218597 582561669 /nfs/dbraw/zinc/56/16/69/582561669.db2.gz VELHQQLEUVCRTM-HTQZYQBOSA-N 1 0 210.302 0.965 10 0 BCAERO O=C([O-])[C@@H]1C[C@@H]([C@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC000757216908 582561732 /nfs/dbraw/zinc/56/17/32/582561732.db2.gz QRVPIVHVBIBYRA-GUBZILKMSA-N 1 0 212.293 0.439 10 0 BCAERO N[C@H]1C[NH2+]C[C@@H](c2cccc(C=O)c2)C1 ZINC000757217859 582562859 /nfs/dbraw/zinc/56/28/59/582562859.db2.gz SXRGNYSMKJACMN-NWDGAFQWSA-N 1 0 204.273 0.903 10 0 BCAERO O=C([O-])[C@@H]1C[NH2+]CC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000757218576 582562932 /nfs/dbraw/zinc/56/29/32/582562932.db2.gz UWAUYBURBHRRMB-OPRDCNLKSA-N 1 0 212.293 0.296 10 0 BCAERO CCn1cc([C@@H]2C[NH2+]C[C@@H](C[NH3+])C2)cn1 ZINC000757234651 582563226 /nfs/dbraw/zinc/56/32/26/582563226.db2.gz LAVIZYNQETYLRB-ZJUUUORDSA-N 1 0 208.309 0.555 10 0 BCAERO Nc1ccc2c(c1)nn1c2nccc1C[NH3+] ZINC000236210469 582641491 /nfs/dbraw/zinc/64/14/91/582641491.db2.gz RNKSSPBHTPQFEN-UHFFFAOYSA-N 1 0 213.244 0.923 10 0 BCAERO Nc1ccc2nn3c(nccc3C[NH3+])c2c1 ZINC000236210233 582641811 /nfs/dbraw/zinc/64/18/11/582641811.db2.gz HVPQXSPLRANAEZ-UHFFFAOYSA-N 1 0 213.244 0.923 10 0 BCAERO [NH3+]CCc1nc2n(n1)[C@@H]1CCC[C@@H]1CN2 ZINC000236247288 582643368 /nfs/dbraw/zinc/64/33/68/582643368.db2.gz UWZCVKWJUSKERT-HTQZYQBOSA-N 1 0 207.281 0.546 10 0 BCAERO CC(C)N1C[C@@H](C)[C@@H]([NH2+]CCC(N)=O)C1 ZINC000393604471 582817384 /nfs/dbraw/zinc/81/73/84/582817384.db2.gz ITTLMYXPNWCEBE-ZJUUUORDSA-N 1 0 213.325 0.180 10 0 BCAERO CC(C)N1C[C@@H](C)[C@H]([NH2+]CCC(N)=O)C1 ZINC000393604467 582817475 /nfs/dbraw/zinc/81/74/75/582817475.db2.gz ITTLMYXPNWCEBE-NXEZZACHSA-N 1 0 213.325 0.180 10 0 BCAERO C[C@H]([NH2+]C1CCN(CCO)CC1)C1CC1 ZINC000393609985 582819808 /nfs/dbraw/zinc/81/98/08/582819808.db2.gz NAKMNIRBNBUGJE-JTQLQIEISA-N 1 0 212.337 0.831 10 0 BCAERO CC(C)S(=O)(=O)NC[C@@H]1CCCC[NH2+]C1 ZINC000308865931 582831212 /nfs/dbraw/zinc/83/12/12/582831212.db2.gz QTLDVINTBSBUJG-SNVBAGLBSA-N 1 0 234.365 0.704 10 0 BCAERO CC(C)S(=O)(=O)NC[C@H]1CCCC[NH2+]C1 ZINC000308865929 582831380 /nfs/dbraw/zinc/83/13/80/582831380.db2.gz QTLDVINTBSBUJG-JTQLQIEISA-N 1 0 234.365 0.704 10 0 BCAERO COC(=O)[C@](C)([NH3+])CCCn1ccnc1 ZINC000045431728 582878082 /nfs/dbraw/zinc/87/80/82/582878082.db2.gz JWYSOVSXKPSRQF-SNVBAGLBSA-N 1 0 211.265 0.554 10 0 BCAERO CO[C@H](C)C[NH2+][C@@H]1CCN(C(C)=O)C[C@@H]1C ZINC000393798554 582926078 /nfs/dbraw/zinc/92/60/78/582926078.db2.gz QQIHSBJZBHGIPD-HOSYDEDBSA-N 1 0 228.336 0.868 10 0 BCAERO CC(C)CNC(=O)[C@H](C)n1cc[nH+]c1N ZINC000702466157 582926457 /nfs/dbraw/zinc/92/64/57/582926457.db2.gz GTSAZURKYFXXOR-QMMMGPOBSA-N 1 0 210.281 0.799 10 0 BCAERO CC(C)n1ncnc1Cn1cc[nH+]c1N ZINC000702448766 582926500 /nfs/dbraw/zinc/92/65/00/582926500.db2.gz BYQPWJAYDACIKP-UHFFFAOYSA-N 1 0 206.253 0.686 10 0 BCAERO CC[C@@H](C)NC(=O)[C@@H](C)n1cc[nH+]c1N ZINC000702466949 582926568 /nfs/dbraw/zinc/92/65/68/582926568.db2.gz QFTCTZYMGSDZPY-HTQZYQBOSA-N 1 0 210.281 0.941 10 0 BCAERO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCN(CCO)C2)CCO1 ZINC000395114185 583042788 /nfs/dbraw/zinc/04/27/88/583042788.db2.gz KHSHUOGPZYQNAX-JHJVBQTASA-N 1 0 242.363 0.600 10 0 BCAERO OCCN1CCC([NH2+]CC[C@H]2CCOC2)CC1 ZINC000399075483 583169730 /nfs/dbraw/zinc/16/97/30/583169730.db2.gz NJHPNRAYEYGWLF-LBPRGKRZSA-N 1 0 242.363 0.459 10 0 BCAERO C[C@@H]1C[NH2+]C[C@@H](c2nc(C3CC3)no2)O1 ZINC000399652411 583192589 /nfs/dbraw/zinc/19/25/89/583192589.db2.gz CAALLKDPWKPGBW-SVRRBLITSA-N 1 0 209.249 0.996 10 0 BCAERO C[C@H]1CN2C[C@@H](c3ccncc3)CNC2=[NH+]1 ZINC000235693853 583210391 /nfs/dbraw/zinc/21/03/91/583210391.db2.gz BRXMPCJRFONKOG-ONGXEEELSA-N 1 0 216.288 0.829 10 0 BCAERO NNc1[nH+]cnc2c1cnn2-c1nccs1 ZINC000149768727 583746924 /nfs/dbraw/zinc/74/69/24/583746924.db2.gz CVGFWYAOINLJHL-UHFFFAOYSA-N 1 0 233.260 0.558 10 0 BCAERO OCc1csc(CN2CC[NH2+]CC2)n1 ZINC000082642241 583901867 /nfs/dbraw/zinc/90/18/67/583901867.db2.gz SONUTSJOVJWOEY-UHFFFAOYSA-N 1 0 213.306 0.041 10 0 BCAERO CC(C)C(=O)N(C)C1(C[NH3+])CCOCC1 ZINC000675052815 583916397 /nfs/dbraw/zinc/91/63/97/583916397.db2.gz ADVRMZHBNIQCFR-UHFFFAOYSA-N 1 0 214.309 0.609 10 0 BCAERO [NH3+]C[C@H]1CCC[C@@H](N2CCS(=O)(=O)CC2)C1 ZINC000675054340 583929983 /nfs/dbraw/zinc/92/99/83/583929983.db2.gz SITWXXNUFGUHHV-WDEREUQCSA-N 1 0 246.376 0.234 10 0 BCAERO c1nc2n(n1)[C@@H]([C@H]1CCC[NH2+]C1)CCN2 ZINC000232455992 585030967 /nfs/dbraw/zinc/03/09/67/585030967.db2.gz SJCDWOQDOZVVQA-DTWKUNHWSA-N 1 0 207.281 0.634 10 0 BCAERO c1nc2n(n1)[C@H]([C@H]1CCC[NH2+]C1)CCN2 ZINC000232455896 585031003 /nfs/dbraw/zinc/03/10/03/585031003.db2.gz SJCDWOQDOZVVQA-IUCAKERBSA-N 1 0 207.281 0.634 10 0 BCAERO CN1CC[C@]2(C1)[NH2+]CC[C@@]1(CCOC1)O2 ZINC000757138741 586427573 /nfs/dbraw/zinc/42/75/73/586427573.db2.gz DKKMGJXVRXWLAX-QWRGUYRKSA-N 1 0 212.293 0.187 10 0 BCAERO CCCN(CC)S(=O)(=O)C[C@@H]([NH3+])CC ZINC000757149497 586428803 /nfs/dbraw/zinc/42/88/03/586428803.db2.gz DCPMVSYOVBCKIP-VIFPVBQESA-N 1 0 222.354 0.785 10 0 BCAERO CN(C)c1nccc(N2CC[C@H]2C[NH3+])n1 ZINC000757154565 586429878 /nfs/dbraw/zinc/42/98/78/586429878.db2.gz ZDWITDJRLSDZBE-QMMMGPOBSA-N 1 0 207.281 0.080 10 0 BCAERO COC(=O)C[C@](C)([NH3+])c1ccns1 ZINC000757154158 586430062 /nfs/dbraw/zinc/43/00/62/586430062.db2.gz KYZQPPZSZOZWOB-QMMMGPOBSA-N 1 0 200.263 0.880 10 0 BCAERO COC(=O)[C@@H]1C[NH2+]C[C@]12CCS[C@H]2C ZINC000757184076 586434074 /nfs/dbraw/zinc/43/40/74/586434074.db2.gz IQRSZIVFNXBXOF-NRPADANISA-N 1 0 215.318 0.891 10 0 BCAERO CCOC(=O)[C@H]1C[NH2+]C[C@]12CN1CCC2CC1 ZINC000757185193 586434135 /nfs/dbraw/zinc/43/41/35/586434135.db2.gz PTYBXFZADXKXOF-DGCLKSJQSA-N 1 0 238.331 0.481 10 0 BCAERO O=C([O-])[C@@H]1C[NH2+]C[C@@]12C[NH+]1CCC2CC1 ZINC000757183671 586434213 /nfs/dbraw/zinc/43/42/13/586434213.db2.gz FDPLUTZGUBIKKF-ONGXEEELSA-N 1 0 210.277 0.002 10 0 BCAERO COC(=O)[C@H]1C[NH2+]C[C@@]12CCSC2 ZINC000757186216 586434699 /nfs/dbraw/zinc/43/46/99/586434699.db2.gz WALCRHQZACHTHI-VXNVDRBHSA-N 1 0 201.291 0.502 10 0 BCAERO CCOC(=O)[C@@H]1C[NH2+]C[C@@H]1c1cc[nH]c1 ZINC000757187936 586435234 /nfs/dbraw/zinc/43/52/34/586435234.db2.gz IVXQZOPGOWBYHW-NXEZZACHSA-N 1 0 208.261 0.881 10 0 BCAERO COC(=O)[C@H]1C[NH2+]C[C@@H]1c1ncccc1F ZINC000757191263 586435611 /nfs/dbraw/zinc/43/56/11/586435611.db2.gz SKUYOWQOSJBVOQ-YUMQZZPRSA-N 1 0 224.235 0.697 10 0 BCAERO CCOC(=O)[C@H]1C[NH2+]C[C@H]1c1cc[nH]n1 ZINC000757191276 586435674 /nfs/dbraw/zinc/43/56/74/586435674.db2.gz SODLFKOKMQZHAP-SFYZADRCSA-N 1 0 209.249 0.276 10 0 BCAERO CC(C)(C)OC(=O)N1CC2(C1)CCO[C@H]2C[NH3+] ZINC000757209961 586438320 /nfs/dbraw/zinc/43/83/20/586438320.db2.gz JXWAJNHMLLBZNH-VIFPVBQESA-N 1 0 242.319 0.971 10 0 BCAERO O=C([O-])[C@@H]1C[NH2+]C[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000757209390 586438495 /nfs/dbraw/zinc/43/84/95/586438495.db2.gz DWIQUGHLXWOURB-AEJSXWLSSA-N 1 0 212.293 0.296 10 0 BCAERO [NH3+]Cc1cccc([C@H]2C[NH2+]C[C@H](C(=O)[O-])C2)c1 ZINC000757211632 586438927 /nfs/dbraw/zinc/43/89/27/586438927.db2.gz HURMBAKOHTWHFH-VXGBXAGGSA-N 1 0 234.299 0.923 10 0 BCAERO N[C@H]1C[NH2+]CC[C@@H]1c1ccc(C=O)s1 ZINC000757212909 586439546 /nfs/dbraw/zinc/43/95/46/586439546.db2.gz KCWKCLOWBKZSNE-IUCAKERBSA-N 1 0 210.302 0.965 10 0 BCAERO N[C@@H]1C[NH2+]CC[C@H]1c1ccc(C=O)s1 ZINC000757212911 586439584 /nfs/dbraw/zinc/43/95/84/586439584.db2.gz KCWKCLOWBKZSNE-RKDXNWHRSA-N 1 0 210.302 0.965 10 0 BCAERO [NH3+]Cc1ccc([C@@H]2CC[NH2+]C[C@@H]2C(=O)[O-])cc1 ZINC000757215826 586440710 /nfs/dbraw/zinc/44/07/10/586440710.db2.gz ODMZNYUGENHTNZ-RYUDHWBXSA-N 1 0 234.299 0.923 10 0 BCAERO [NH3+]Cc1ccc([C@@H]2CC[NH2+]C[C@H]2C(=O)[O-])cc1 ZINC000757215824 586440856 /nfs/dbraw/zinc/44/08/56/586440856.db2.gz ODMZNYUGENHTNZ-NWDGAFQWSA-N 1 0 234.299 0.923 10 0 BCAERO C[C@@H]1C[C@@H](C(=O)[O-])C[C@@H](C2CC[NH2+]CC2)[NH2+]1 ZINC000757216995 586441393 /nfs/dbraw/zinc/44/13/93/586441393.db2.gz RBOTUFKKDINJTK-IEBDPFPHSA-N 1 0 226.320 0.827 10 0 BCAERO [NH3+]Cc1cccc([C@@H]2C[NH2+]CC[C@H]2C(=O)[O-])c1 ZINC000757218228 586441666 /nfs/dbraw/zinc/44/16/66/586441666.db2.gz UQGLCAJVYWLDTK-NEPJUHHUSA-N 1 0 234.299 0.923 10 0 BCAERO C[C@@H]1C[C@H]([C@@H]2C[C@@H](C(=O)[O-])CC[NH2+]2)CC[NH2+]1 ZINC000757229490 586442830 /nfs/dbraw/zinc/44/28/30/586442830.db2.gz FAKZNBIJEWYFNL-ZNSHCXBVSA-N 1 0 226.320 0.827 10 0 BCAERO CCn1cc([C@@H]2C[C@@H](C)[C@H]([NH3+])CN2)cn1 ZINC000757227373 586442872 /nfs/dbraw/zinc/44/28/72/586442872.db2.gz BNJIIDKBKYZBBR-IEBDPFPHSA-N 1 0 208.309 0.901 10 0 BCAERO C[C@@H]1C[C@H]([C@H]2CC[C@@H](C(=O)[O-])C[NH2+]2)CC[NH2+]1 ZINC000757235860 586443816 /nfs/dbraw/zinc/44/38/16/586443816.db2.gz MYOMKOKVZGLRDZ-GWOFURMSSA-N 1 0 226.320 0.827 10 0 BCAERO NNc1[nH+]cnc2c1nnn2CCC1CC1 ZINC000757566495 586461662 /nfs/dbraw/zinc/46/16/62/586461662.db2.gz FVPBIEQRSDYGPF-UHFFFAOYSA-N 1 0 219.252 0.307 10 0 BCAERO C[NH2+]CCCn1nnc2c1nc[nH]c2=S ZINC000757570064 586462614 /nfs/dbraw/zinc/46/26/14/586462614.db2.gz YIGCGHVFOYKFOW-UHFFFAOYSA-N 1 0 224.293 0.120 10 0 BCAERO CC(=O)CCN1CC[N@@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000106101191 588252092 /nfs/dbraw/zinc/25/20/92/588252092.db2.gz HOUDPRREZFARDT-CMPLNLGQSA-N 1 0 228.336 0.352 10 0 BCAERO CC(C)C(=O)N[C@@H]1CCCN(CC[NH3+])C1 ZINC000108163704 588451909 /nfs/dbraw/zinc/45/19/09/588451909.db2.gz GABQHWKQLKOOMG-SNVBAGLBSA-N 1 0 213.325 0.182 10 0 BCAERO C[NH2+][C@@](C)(C[C@H](C)n1nccc1C)C(N)=O ZINC000203549471 589246016 /nfs/dbraw/zinc/24/60/16/589246016.db2.gz KMZRIOCNCKEHSF-ONGXEEELSA-N 1 0 224.308 0.606 10 0 BCAERO Cc1c(Cl)cnn1[C@@H](C)C[C@](C)([NH3+])C(N)=O ZINC000203548597 589246095 /nfs/dbraw/zinc/24/60/95/589246095.db2.gz OWERSQVUIRHLOS-WKEGUHRASA-N 1 0 244.726 0.999 10 0 BCAERO Cn1ccnc1-c1noc([C@@H]2CCC[NH2+]2)n1 ZINC000122142295 589557259 /nfs/dbraw/zinc/55/72/59/589557259.db2.gz NSKFXDAGVUTGTL-ZETCQYMHSA-N 1 0 219.248 0.895 10 0 BCAERO COCCNC(=S)N1CC[C@@H]([NH+](C)C)C1 ZINC000122382255 589584944 /nfs/dbraw/zinc/58/49/44/589584944.db2.gz LKUCCYAILHEVIE-SECBINFHSA-N 1 0 231.365 0.143 10 0 BCAERO C[NH+](C)[C@@H]1CCN(C(=O)N2CCCC2)C1 ZINC000122401572 589586046 /nfs/dbraw/zinc/58/60/46/589586046.db2.gz MBAXUQGTSMDVAL-SNVBAGLBSA-N 1 0 211.309 0.838 10 0 BCAERO CC[N@@H+]1CCC[C@@H](NC(=O)c2noc(C)n2)C1 ZINC000122883384 589642882 /nfs/dbraw/zinc/64/28/82/589642882.db2.gz CYFIFXLCNHHHNA-SECBINFHSA-N 1 0 238.291 0.592 10 0 BCAERO O=C(NO[C@H]1CCCCO1)[C@H]1CCC[NH2+]C1 ZINC000123163359 589670672 /nfs/dbraw/zinc/67/06/72/589670672.db2.gz UKPKQGMALJHKNX-UWVGGRQHSA-N 1 0 228.292 0.560 10 0 BCAERO C[C@H]1COCCN1C(=O)C[C@@H]([NH3+])C1CC1 ZINC000123605965 589757520 /nfs/dbraw/zinc/75/75/20/589757520.db2.gz YKWLKGNPPKYXKH-WCBMZHEXSA-N 1 0 212.293 0.361 10 0 BCAERO C[C@H](O)CCNC(=O)C[C@@H]([NH3+])C1CC1 ZINC000124081975 589939043 /nfs/dbraw/zinc/93/90/43/589939043.db2.gz AOVPMJDHXDQTBH-IONNQARKSA-N 1 0 200.282 0.001 10 0 BCAERO Cc1c(CN2CCC[C@@H]2C[NH3+])cnn1C ZINC000020315803 590097995 /nfs/dbraw/zinc/09/79/95/590097995.db2.gz RAFFEDRQNZVGAX-LLVKDONJSA-N 1 0 208.309 0.652 10 0 BCAERO c1cc(-c2noc([C@H]3CCC[NH2+]3)n2)ncn1 ZINC000124940777 590102696 /nfs/dbraw/zinc/10/26/96/590102696.db2.gz SRYPLELYVMCXSA-MRVPVSSYSA-N 1 0 217.232 0.951 10 0 BCAERO COC[C@@H](NC(=O)[C@@H]1CC[NH2+]C1)C1CC1 ZINC000125397705 590163222 /nfs/dbraw/zinc/16/32/22/590163222.db2.gz VHGKMOKSSKEIBE-NXEZZACHSA-N 1 0 212.293 0.137 10 0 BCAERO O[C@@H]1CCC[C@H]1[NH+]1CCC2(CC1)OCCO2 ZINC000125436254 590164071 /nfs/dbraw/zinc/16/40/71/590164071.db2.gz PBCRTEJIYVXVHQ-GHMZBOCLSA-N 1 0 227.304 0.739 10 0 BCAERO c1nc(-c2noc([C@H]3CCC[NH2+]C3)n2)n[nH]1 ZINC000021807922 590234598 /nfs/dbraw/zinc/23/45/98/590234598.db2.gz GKRHZHQOMBCSDU-LURJTMIESA-N 1 0 220.236 0.322 10 0 BCAERO CN(CCC[NH3+])c1cncc(Cl)n1 ZINC000126520271 590324626 /nfs/dbraw/zinc/32/46/26/590324626.db2.gz CNEKRIZJWSZQJQ-UHFFFAOYSA-N 1 0 200.673 0.915 10 0 BCAERO C[C@]1(C(=O)N[C@H]2CCOC2)CCCC[NH2+]1 ZINC000127542365 590704061 /nfs/dbraw/zinc/70/40/61/590704061.db2.gz UMMZRROTJSXHMK-GXSJLCMTSA-N 1 0 212.293 0.424 10 0 BCAERO COC(=O)/C(C)=C\CN1C[C@H]([NH+](C)C)[C@@H](C)C1 ZINC000211365544 591162838 /nfs/dbraw/zinc/16/28/38/591162838.db2.gz NJJQLHLXBALJBR-AUSWNFFYSA-N 1 0 240.347 0.988 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)N1CCOC[C@H]1C ZINC000128921706 591186792 /nfs/dbraw/zinc/18/67/92/591186792.db2.gz LMXMRQWOPMJSHN-NXEZZACHSA-N 1 0 214.309 0.607 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)N1CCOC[C@@H]1C ZINC000128921926 591187116 /nfs/dbraw/zinc/18/71/16/591187116.db2.gz LMXMRQWOPMJSHN-VHSXEESVSA-N 1 0 214.309 0.607 10 0 BCAERO C[NH+](C)[C@@H]1CCN(C(=O)C[C@H]([NH3+])C2CC2)C1 ZINC000129874688 591414610 /nfs/dbraw/zinc/41/46/10/591414610.db2.gz DPLJNAZCGOWXPJ-MNOVXSKESA-N 1 0 225.336 0.276 10 0 BCAERO C[C@@H](NC(=O)c1ccnc(C[NH3+])c1)[C@H]1CCCO1 ZINC000129984093 591427812 /nfs/dbraw/zinc/42/78/12/591427812.db2.gz FFZAALGDDAYSSG-BXKDBHETSA-N 1 0 249.314 0.838 10 0 BCAERO CN(C[C@H]1CCCO1)C(=O)c1ccnc(C[NH3+])c1 ZINC000130202916 591447646 /nfs/dbraw/zinc/44/76/46/591447646.db2.gz MUNSVFMLZUEUBU-GFCCVEGCSA-N 1 0 249.314 0.791 10 0 BCAERO Cn1cc(/C=C/C(=O)N2CCCC[C@H]2C[NH3+])cn1 ZINC000131080392 591548525 /nfs/dbraw/zinc/54/85/25/591548525.db2.gz RZHVLVMCUGDJIV-FYJFLYSWSA-N 1 0 248.330 0.773 10 0 BCAERO CC(C)(C)[C@@H](O)C[NH2+][C@@H]1CCCS(=O)(=O)C1 ZINC000132175428 591691512 /nfs/dbraw/zinc/69/15/12/591691512.db2.gz PMWVAIWWDAABIY-ZJUUUORDSA-N 1 0 249.376 0.560 10 0 BCAERO Cc1cnc(-c2noc(C[C@@H](C)[NH3+])n2)nc1 ZINC000132331839 591702137 /nfs/dbraw/zinc/70/21/37/591702137.db2.gz FLPDNGGPYFBKNS-SSDOTTSWSA-N 1 0 219.248 0.725 10 0 BCAERO CCc1cc(CC)n(C[C@@](C)([NH3+])C(N)=O)n1 ZINC000132542988 591718843 /nfs/dbraw/zinc/71/88/43/591718843.db2.gz YAXLAGCKMLUIPP-LLVKDONJSA-N 1 0 224.308 0.211 10 0 BCAERO CC(C)(C[NH3+])C(=O)NC[C@@H]1CCCC[C@@H]1O ZINC000133142449 591767728 /nfs/dbraw/zinc/76/77/28/591767728.db2.gz OTWKDTMMOPAZBT-UWVGGRQHSA-N 1 0 228.336 0.639 10 0 BCAERO CC(C)(C[NH3+])C(=O)NC[C@H]1CCCC[C@H]1O ZINC000133143108 591768245 /nfs/dbraw/zinc/76/82/45/591768245.db2.gz OTWKDTMMOPAZBT-NXEZZACHSA-N 1 0 228.336 0.639 10 0 BCAERO C[C@@H]1OCC[C@@H]1NC(=O)C1(C[NH3+])CCCC1 ZINC000134249143 591906835 /nfs/dbraw/zinc/90/68/35/591906835.db2.gz WGQBYTGGXWNJCG-UWVGGRQHSA-N 1 0 226.320 0.799 10 0 BCAERO C[C@@H]1OCC[C@H]1NC(=O)C1([NH3+])CCCCC1 ZINC000134257551 591907528 /nfs/dbraw/zinc/90/75/28/591907528.db2.gz OZKYLPKZRZEQDJ-VHSXEESVSA-N 1 0 226.320 0.942 10 0 BCAERO C[C@@H]1OCC[C@@H]1NC(=O)C[NH2+]CC1CC1 ZINC000134258993 591907541 /nfs/dbraw/zinc/90/75/41/591907541.db2.gz ASPLIULOFKSWFU-WPRPVWTQSA-N 1 0 212.293 0.280 10 0 BCAERO C[C@H]1OCC[C@H]1NC(=O)CCCCC[NH3+] ZINC000134259657 591907794 /nfs/dbraw/zinc/90/77/94/591907794.db2.gz LGXXCOYGLLKINQ-NXEZZACHSA-N 1 0 214.309 0.799 10 0 BCAERO COc1c(C[NH2+][C@H]2CCN(C)C2)c(C)nn1C ZINC000134400417 591924409 /nfs/dbraw/zinc/92/44/09/591924409.db2.gz ULBMMANZCHRLHC-JTQLQIEISA-N 1 0 238.335 0.531 10 0 BCAERO C[C@@H]1OCC[C@@H]1NC(=O)C1CC[NH2+]CC1 ZINC000134556625 591935942 /nfs/dbraw/zinc/93/59/42/591935942.db2.gz XGJBAVYURXUJLD-WPRPVWTQSA-N 1 0 212.293 0.280 10 0 BCAERO C[C@@H]1OCC[C@H]1NC(=O)[C@H]1CCC[NH2+]C1 ZINC000134553895 591936259 /nfs/dbraw/zinc/93/62/59/591936259.db2.gz WRCQAXPJWKAOCP-LPEHRKFASA-N 1 0 212.293 0.280 10 0 BCAERO Cc1cc(N[C@@H]2CCO[C@@H]2C)nc(N)[nH+]1 ZINC000134608198 591942191 /nfs/dbraw/zinc/94/21/91/591942191.db2.gz SEXWXDWDDKBUHS-HTQZYQBOSA-N 1 0 208.265 0.957 10 0 BCAERO C[C@]1(C(=O)NC[C@@H]2COCCO2)CCCC[NH2+]1 ZINC000136175865 592100052 /nfs/dbraw/zinc/10/00/52/592100052.db2.gz MCFKFUDEMLCOSS-ZYHUDNBSSA-N 1 0 242.319 0.050 10 0 BCAERO COC(C[N@@H+]1CCC[C@@H](NC(C)=O)C1)OC ZINC000136741339 592150858 /nfs/dbraw/zinc/15/08/58/592150858.db2.gz TVJFRMYFDXZQPL-SNVBAGLBSA-N 1 0 230.308 0.206 10 0 BCAERO C[C@@H]1C[NH2+]CCN1c1cncc(Cl)n1 ZINC000138260861 592255229 /nfs/dbraw/zinc/25/52/29/592255229.db2.gz LMVCGOMXWHZJLN-SSDOTTSWSA-N 1 0 212.684 0.928 10 0 BCAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cnc(N)cn1 ZINC000300068513 592502229 /nfs/dbraw/zinc/50/22/29/592502229.db2.gz OFLWMXJYXKBGQE-JQWIXIFHSA-N 1 0 247.346 0.727 10 0 BCAERO O=C(C[C@@H]1COC2(C[NH2+]C2)C1)NCC1CC1 ZINC000827809628 592705665 /nfs/dbraw/zinc/70/56/65/592705665.db2.gz WXNAKHDRJITGJD-JTQLQIEISA-N 1 0 224.304 0.281 10 0 BCAERO COCC[C@H]([NH3+])C(=O)N1CCS[C@@H](C)C1 ZINC000123374154 592714160 /nfs/dbraw/zinc/71/41/60/592714160.db2.gz RLWRSUZCXOBTPB-IUCAKERBSA-N 1 0 232.349 0.314 10 0 BCAERO C[NH+](C)[C@@H]1CCN(c2ncc(C=O)cn2)C1 ZINC000126409803 592724607 /nfs/dbraw/zinc/72/46/07/592724607.db2.gz TUIBKXXRBNXBKF-SNVBAGLBSA-N 1 0 220.276 0.429 10 0 BCAERO CC1(C)COC[C@@H]1[NH2+]CCn1cncn1 ZINC000313143000 634454868 /nfs/dbraw/zinc/45/48/68/634454868.db2.gz RIXVHCBCUDBKOU-VIFPVBQESA-N 1 0 210.281 0.293 10 0 BCAERO Cc1c[nH]nc1C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000257739430 634488612 /nfs/dbraw/zinc/48/86/12/634488612.db2.gz WPXZEFPZSISOPU-MRVPVSSYSA-N 1 0 208.265 0.281 10 0 BCAERO COc1cc(C)nc(N2CC[C@@H](CC[NH3+])C2)n1 ZINC000125468515 634510709 /nfs/dbraw/zinc/51/07/09/634510709.db2.gz BQYPIGSHZDPEDS-SNVBAGLBSA-N 1 0 236.319 0.969 10 0 BCAERO O=C(NCc1cscn1)[C@@H]1CC[NH2+]C1 ZINC000082626636 634510742 /nfs/dbraw/zinc/51/07/42/634510742.db2.gz HVEKHFMIPPJSNM-SSDOTTSWSA-N 1 0 211.290 0.369 10 0 BCAERO CCC[C@H](C)NC(=O)[C@@H](C)OC1C[NH2+]C1 ZINC000062809806 635465456 /nfs/dbraw/zinc/46/54/56/635465456.db2.gz ANEFTIVMLSKFPU-DTWKUNHWSA-N 1 0 214.309 0.668 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)N[C@@H]2C[C@@H]([NH3+])C2(C)C)O1 ZINC000228921764 635465489 /nfs/dbraw/zinc/46/54/89/635465489.db2.gz FDBLWEREZRFQJE-ZYUZMQFOSA-N 1 0 226.320 0.796 10 0 BCAERO C[NH+](C)[C@@H]1CCN(c2cnc(CO)cn2)C1 ZINC000230081735 635478691 /nfs/dbraw/zinc/47/86/91/635478691.db2.gz FCBHVGBCKXAZNZ-SNVBAGLBSA-N 1 0 222.292 0.109 10 0 BCAERO O=C(CC[NH2+]C1CC1)NC[C@@H](O)C(F)(F)F ZINC000236564431 635601948 /nfs/dbraw/zinc/60/19/48/635601948.db2.gz LNOZWUYVJSEWBL-SSDOTTSWSA-N 1 0 240.225 0.168 10 0 BCAERO C[C@H]1CN(C(=O)C(F)F)C[C@@H]1[NH+](C)C ZINC000235608026 631255708 /nfs/dbraw/zinc/25/57/08/631255708.db2.gz ZXIJOBRWJRUTTB-BQBZGAKWSA-N 1 0 206.236 0.660 10 0 BCAERO C[C@H]([NH3+])CNS(=O)(=O)/C=C/c1ccccc1 ZINC000082574755 631407329 /nfs/dbraw/zinc/40/73/29/631407329.db2.gz RHZRSPJAZNQSSS-JARNTUPDSA-N 1 0 240.328 0.924 10 0 BCAERO Cc1nsc(N2CCO[C@@H](C[NH3+])C2)n1 ZINC000083647648 631428451 /nfs/dbraw/zinc/42/84/51/631428451.db2.gz XYTYDMGNSODNPB-ZETCQYMHSA-N 1 0 214.294 0.010 10 0 BCAERO CC(C)C[C@@H]([NH3+])C(=O)NC[C@@H]1CCC[C@@H]1O ZINC000084239002 631437306 /nfs/dbraw/zinc/43/73/06/631437306.db2.gz GGWCSRVZTAMMKT-AXFHLTTASA-N 1 0 228.336 0.637 10 0 BCAERO [NH3+]C1CC(CNc2ncnc3nc[nH]c32)C1 ZINC000084447837 631439268 /nfs/dbraw/zinc/43/92/68/631439268.db2.gz KYBCTIHRUKXIEL-UHFFFAOYSA-N 1 0 218.264 0.502 10 0 BCAERO [NH3+]C1CC(CNS(=O)(=O)c2ccccc2)C1 ZINC000084447433 631440567 /nfs/dbraw/zinc/44/05/67/631440567.db2.gz PJHKGAVFIQCHFA-UHFFFAOYSA-N 1 0 240.328 0.702 10 0 BCAERO C[C@H](CCO)[NH2+][C@H]1CCC(=O)N[C@H]1C ZINC000308654433 631465100 /nfs/dbraw/zinc/46/51/00/631465100.db2.gz NDIGGUYXKHTHBE-VGMNWLOBSA-N 1 0 200.282 0.014 10 0 BCAERO C[C@H]([NH3+])c1cn(C[C@@H](O)C(C)(C)C)nn1 ZINC000308795785 631467398 /nfs/dbraw/zinc/46/73/98/631467398.db2.gz KFKHPYWWGDSOAT-IONNQARKSA-N 1 0 212.297 0.705 10 0 BCAERO C[NH2+][C@H](C)CNS(=O)(=O)Cc1ccccc1 ZINC000234439243 631528537 /nfs/dbraw/zinc/52/85/37/631528537.db2.gz ZVZSQUIGUBCWJU-SNVBAGLBSA-N 1 0 242.344 0.714 10 0 BCAERO COC(=O)c1cncc(N2CCC[C@H]([NH3+])C2)n1 ZINC000091418318 631539896 /nfs/dbraw/zinc/53/98/96/631539896.db2.gz DLOCXYGHWHYTAB-QMMMGPOBSA-N 1 0 236.275 0.191 10 0 BCAERO C[C@H](C[NH+](C)C)n1nc(N)nc1Br ZINC000725249312 631566807 /nfs/dbraw/zinc/56/68/07/631566807.db2.gz OXSGYEUQEFJDLM-RXMQYKEDSA-N 1 0 248.128 0.745 10 0 BCAERO c1ccn2c(c1)nnc2CCN[C@H]1CC[NH2+]C1 ZINC000094074912 631575107 /nfs/dbraw/zinc/57/51/07/631575107.db2.gz SZMMBWKLBXVXSN-JTQLQIEISA-N 1 0 231.303 0.223 10 0 BCAERO COC(=O)[C@H]1C[N@H+](CCn2cccn2)C[C@@H]1C ZINC000094996747 631583772 /nfs/dbraw/zinc/58/37/72/631583772.db2.gz BTYRBGQYDAQEGT-QWRGUYRKSA-N 1 0 237.303 0.624 10 0 BCAERO [NH3+]CCCNS(=O)(=O)/C=C/c1ccccc1 ZINC000036297951 635626443 /nfs/dbraw/zinc/62/64/43/635626443.db2.gz IXVPQWZFTGSYNL-JXMROGBWSA-N 1 0 240.328 0.926 10 0 BCAERO COC(=O)C[C@@H]([NH2+][C@H]1CCOC1)C1CC1 ZINC000308930820 631745288 /nfs/dbraw/zinc/74/52/88/631745288.db2.gz JNKSUGXNXZRBDZ-VHSXEESVSA-N 1 0 213.277 0.707 10 0 BCAERO Cn1ncc(C[NH2+][C@@H]2CCC[C@H](O)C2)n1 ZINC000308928135 631745895 /nfs/dbraw/zinc/74/58/95/631745895.db2.gz LEJWMDPUXBBIJU-SCZZXKLOSA-N 1 0 210.281 0.208 10 0 BCAERO Cn1cnc(C[NH2+][C@@H]2CCC[C@H](O)C2)c1 ZINC000308947210 631746350 /nfs/dbraw/zinc/74/63/50/631746350.db2.gz WONYVFIOHRWGLA-KOLCDFICSA-N 1 0 209.293 0.813 10 0 BCAERO COC(=O)C(C)(C)CC[NH2+][C@@H](C)[C@@H](C)O ZINC000308935006 631747334 /nfs/dbraw/zinc/74/73/34/631747334.db2.gz KNUAMEVNVFTYRT-DTWKUNHWSA-N 1 0 217.309 0.935 10 0 BCAERO COC(=O)C(C)(C)CC[NH2+][C@H](C)[C@H](C)O ZINC000308935005 631747866 /nfs/dbraw/zinc/74/78/66/631747866.db2.gz KNUAMEVNVFTYRT-BDAKNGLRSA-N 1 0 217.309 0.935 10 0 BCAERO CC[C@H](O)CCNC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000158083189 631749281 /nfs/dbraw/zinc/74/92/81/631749281.db2.gz VDQNXDXOKHBLAU-UTLUCORTSA-N 1 0 214.309 0.391 10 0 BCAERO C[C@H]([NH2+]C[C@H]1CNC(=O)O1)[C@H]1CCCO1 ZINC000308974191 631769938 /nfs/dbraw/zinc/76/99/38/631769938.db2.gz GBOWLDZFHGRDAT-XHNCKOQMSA-N 1 0 214.265 0.252 10 0 BCAERO CCc1nnc(C[NH2+]C(C)(C)CO)n1C ZINC000309042504 631825078 /nfs/dbraw/zinc/82/50/78/631825078.db2.gz LZHMFDOLGLAICD-UHFFFAOYSA-N 1 0 212.297 0.238 10 0 BCAERO O=C(NC[C@@H]1CSCCS1)[C@H]1CC[NH2+]C1 ZINC000158192359 631834393 /nfs/dbraw/zinc/83/43/93/631834393.db2.gz BJVGHAPZEOKARU-DTWKUNHWSA-N 1 0 246.401 0.561 10 0 BCAERO CC[NH2+][C@@H](Cn1nc(C)c(C)c1C)C(N)=O ZINC000045438010 631837580 /nfs/dbraw/zinc/83/75/80/631837580.db2.gz QTNZJXBJFYDHAK-JTQLQIEISA-N 1 0 224.308 0.272 10 0 BCAERO C[C@H]1[C@H]([NH3+])CCN1c1ncnc2c1CCC2 ZINC000309209414 631968925 /nfs/dbraw/zinc/96/89/25/631968925.db2.gz NIZZJEPFFXLOBD-WCBMZHEXSA-N 1 0 218.304 0.891 10 0 BCAERO C[C@@]([NH3+])(Cn1ncc2ccccc21)C(N)=O ZINC000050528314 631998768 /nfs/dbraw/zinc/99/87/68/631998768.db2.gz BEUWAGNVDYOBFM-LLVKDONJSA-N 1 0 218.260 0.239 10 0 BCAERO C[C@](O)(Cn1cc(C[NH3+])nn1)c1ccccc1 ZINC000052099046 632072656 /nfs/dbraw/zinc/07/26/56/632072656.db2.gz RYEQJTAYCLOAGJ-LBPRGKRZSA-N 1 0 232.287 0.645 10 0 BCAERO CC(C)OC[C@@H](O)CN1CCCC[C@H]1C[NH3+] ZINC000250592872 635699019 /nfs/dbraw/zinc/69/90/19/635699019.db2.gz VLLTVPLBAPBCFU-RYUDHWBXSA-N 1 0 230.352 0.586 10 0 BCAERO COC(=O)c1cc(C[NH2+][C@@H](C)[C@H](C)O)c[nH]1 ZINC000309451745 632098708 /nfs/dbraw/zinc/09/87/08/632098708.db2.gz LHSFCANFQXEULX-YUMQZZPRSA-N 1 0 226.276 0.660 10 0 BCAERO CC(C)OC[C@H](O)CN1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000310375212 635764790 /nfs/dbraw/zinc/76/47/90/635764790.db2.gz ZLUFMNGAYBAYOT-XQQFMLRXSA-N 1 0 242.363 0.456 10 0 BCAERO COC[C@H](C)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000237232516 635787815 /nfs/dbraw/zinc/78/78/15/635787815.db2.gz CLSMJAJEPCBMMB-VHSXEESVSA-N 1 0 214.309 0.385 10 0 BCAERO COC(=O)C[C@@H]([NH2+]CC1(O)CCC1)C1CC1 ZINC000309491982 632418164 /nfs/dbraw/zinc/41/81/64/632418164.db2.gz XJXXQKGETJNMCD-SNVBAGLBSA-N 1 0 227.304 0.833 10 0 BCAERO CO[C@H](C)CC(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000158072054 632458849 /nfs/dbraw/zinc/45/88/49/632458849.db2.gz WGTFJPJNDCCNOQ-BBBLOLIVSA-N 1 0 214.309 0.655 10 0 BCAERO CCOCCO[C@@H](C)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000158248798 632463339 /nfs/dbraw/zinc/46/33/39/632463339.db2.gz AKHUWXVETOWPHV-QWRGUYRKSA-N 1 0 244.335 0.378 10 0 BCAERO CC/C=C(/C)C(=O)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000309521704 632468499 /nfs/dbraw/zinc/46/84/99/632468499.db2.gz UGYKLUVXMCHGIR-YXCTTXFESA-N 1 0 212.293 0.039 10 0 BCAERO CC[C@@H](NC(=O)[C@H]([NH3+])CCOC)C(C)C ZINC000052810097 632499172 /nfs/dbraw/zinc/49/91/72/632499172.db2.gz CZNCUCMEJJUASK-NXEZZACHSA-N 1 0 216.325 0.901 10 0 BCAERO CC1(C(=O)N2CCO[C@@H]3CCCC[C@@H]32)C[NH2+]C1 ZINC000335565073 632501595 /nfs/dbraw/zinc/50/15/95/632501595.db2.gz NAFRCURYWVPAGT-WDEREUQCSA-N 1 0 238.331 0.766 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)[C@H]1CCOC1 ZINC000250684187 632544978 /nfs/dbraw/zinc/54/49/78/632544978.db2.gz ZUHXPOLQFMUNPX-LPEHRKFASA-N 1 0 212.293 0.267 10 0 BCAERO C[NH2+]C[C@H](C)C(=O)N1CCOC[C@@H]1C ZINC000086065803 632648506 /nfs/dbraw/zinc/64/85/06/632648506.db2.gz SFIYFCSQWNDHLJ-IUCAKERBSA-N 1 0 200.282 0.089 10 0 BCAERO C[NH2+]C[C@H](C)C(=O)N[C@@H](C)[C@@H]1CCCO1 ZINC000086065747 632649092 /nfs/dbraw/zinc/64/90/92/632649092.db2.gz HSFDDPCPZQRPSG-GUBZILKMSA-N 1 0 214.309 0.526 10 0 BCAERO NC(=O)c1cc(N[C@@H]2CCC[C@@H]2C[NH3+])ccn1 ZINC000089105909 632658641 /nfs/dbraw/zinc/65/86/41/632658641.db2.gz MQHGAAFRPXKCLI-PSASIEDQSA-N 1 0 234.303 0.720 10 0 BCAERO CCOC(=O)[C@@H](C)NC(=O)CC[C@H]1CCC[NH2+]1 ZINC000310540969 632754116 /nfs/dbraw/zinc/75/41/16/632754116.db2.gz CEYZVWUOONSARL-NXEZZACHSA-N 1 0 242.319 0.586 10 0 BCAERO CCC[NH2+][C@H](Cn1cnc(C)c1C)C(N)=O ZINC000051928172 632765095 /nfs/dbraw/zinc/76/50/95/632765095.db2.gz LHKXURKKEUDVTE-SNVBAGLBSA-N 1 0 224.308 0.353 10 0 BCAERO Cc1noc2ncnc(N(C)C[C@@H](C)[NH3+])c12 ZINC000309218101 632819547 /nfs/dbraw/zinc/81/95/47/632819547.db2.gz WHXMTPGLSYPYPS-ZCFIWIBFSA-N 1 0 221.264 0.710 10 0 BCAERO CC[C@@]1([NH2+]C[C@H]2CNC(=O)O2)CCOC1 ZINC000309228807 632827615 /nfs/dbraw/zinc/82/76/15/632827615.db2.gz WJSKMGFPIRRWSG-PSASIEDQSA-N 1 0 214.265 0.254 10 0 BCAERO Cc1cnn(CCNC(=O)CCCCC[NH3+])c1 ZINC000235803022 632829933 /nfs/dbraw/zinc/82/99/33/632829933.db2.gz LSRAYAKSLNWCCW-UHFFFAOYSA-N 1 0 238.335 0.827 10 0 BCAERO C[NH2+]C1(C(=O)N(C)C[C@H]2CCCO2)CCC1 ZINC000309244657 632837189 /nfs/dbraw/zinc/83/71/89/632837189.db2.gz LRLXDAAITAOINX-SNVBAGLBSA-N 1 0 226.320 0.766 10 0 BCAERO Cc1cnc(N2CC[C@](C)(C[NH3+])C2)nc1 ZINC000235970055 632857423 /nfs/dbraw/zinc/85/74/23/632857423.db2.gz CQDFXZCTMUWEPG-LLVKDONJSA-N 1 0 206.293 0.960 10 0 BCAERO CC[N@@H+]1CCC[C@@H]1CN(C)[C@@H]1CCOC1=O ZINC000177701709 632864750 /nfs/dbraw/zinc/86/47/50/632864750.db2.gz UEKDPORPLYVGHL-GHMZBOCLSA-N 1 0 226.320 0.718 10 0 BCAERO Cc1nonc1CN1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000309275825 632875448 /nfs/dbraw/zinc/87/54/48/632875448.db2.gz DSYPASMOSYZHSQ-LPEHRKFASA-N 1 0 222.292 0.547 10 0 BCAERO COCC[C@@H]([NH3+])C(=O)N[C@H](C)C1CC1 ZINC000052791452 632896636 /nfs/dbraw/zinc/89/66/36/632896636.db2.gz XNDYCTVSQCAJSP-VXNVDRBHSA-N 1 0 200.282 0.265 10 0 BCAERO CC[C@@H](NC(=O)[C@@H]([NH3+])CCOC)C(C)C ZINC000052810099 632899619 /nfs/dbraw/zinc/89/96/19/632899619.db2.gz CZNCUCMEJJUASK-VHSXEESVSA-N 1 0 216.325 0.901 10 0 BCAERO C[C@@H]1[NH2+]CCC[C@H]1Nc1ccc(C(N)=O)nn1 ZINC000229598316 632980140 /nfs/dbraw/zinc/98/01/40/632980140.db2.gz WNLGLZORSVMWGZ-JGVFFNPUSA-N 1 0 235.291 0.128 10 0 BCAERO C[C@@H]([NH3+])Cc1nc(Cc2cccnc2)no1 ZINC000053133394 633027314 /nfs/dbraw/zinc/02/73/14/633027314.db2.gz FZIOVYMBKSLOCO-MRVPVSSYSA-N 1 0 218.260 0.945 10 0 BCAERO CC(C)C[NH+]1CCN([C@@H]2CC[C@@H]2O)CC1 ZINC000704061121 633045741 /nfs/dbraw/zinc/04/57/41/633045741.db2.gz SEUYCRASACSKSF-NEPJUHHUSA-N 1 0 212.337 0.783 10 0 BCAERO CN1CCO[C@H](C[NH2+]C2CC(C(F)F)C2)C1 ZINC000309420814 633048660 /nfs/dbraw/zinc/04/86/60/633048660.db2.gz DOYUKXMAFKFTEK-UDNWOFFPSA-N 1 0 234.290 0.950 10 0 BCAERO COC(=O)c1cc(C[NH2+][C@H](C)[C@@H](C)O)c[nH]1 ZINC000309451740 633084809 /nfs/dbraw/zinc/08/48/09/633084809.db2.gz LHSFCANFQXEULX-HTQZYQBOSA-N 1 0 226.276 0.660 10 0 BCAERO C[NH+](C)CC(=O)N1CCc2c(N)cccc2C1 ZINC000167952399 633136154 /nfs/dbraw/zinc/13/61/54/633136154.db2.gz OKCFLZYIWHTBLJ-UHFFFAOYSA-N 1 0 233.315 0.715 10 0 BCAERO COC1CC([NH2+][C@@H](C)c2ccc(=O)[nH]n2)C1 ZINC000309667329 633221201 /nfs/dbraw/zinc/22/12/01/633221201.db2.gz USOUOAFLQJUFRH-UEJVZZJDSA-N 1 0 223.276 0.598 10 0 BCAERO C[C@@H](C[NH3+])NC(=O)c1ccc(N(C)C)cc1 ZINC000082239022 633235250 /nfs/dbraw/zinc/23/52/50/633235250.db2.gz SNQRHHWLFRARCH-VIFPVBQESA-N 1 0 221.304 0.830 10 0 BCAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)C(C)(F)F ZINC000306225336 635958869 /nfs/dbraw/zinc/95/88/69/635958869.db2.gz AZGXVLZAYCQGRL-NKWVEPMBSA-N 1 0 206.236 0.898 10 0 BCAERO [NH3+]C[C@@H]1C[C@H](F)CN1C[C@H]1CCOC1 ZINC000306285045 635962560 /nfs/dbraw/zinc/96/25/60/635962560.db2.gz JKLMFCMNEFWDDP-UTLUCORTSA-N 1 0 202.273 0.394 10 0 BCAERO C[C@H](O)[C@H](C)[NH2+][C@H]1CCCNC(=O)C1 ZINC000306722065 635972990 /nfs/dbraw/zinc/97/29/90/635972990.db2.gz POWIBVLEKKYVSK-CIUDSAMLSA-N 1 0 200.282 0.014 10 0 BCAERO CC(C)[C@H](C)NC(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000049308743 636058430 /nfs/dbraw/zinc/05/84/30/636058430.db2.gz AZWWDEQUZMSCON-WDEREUQCSA-N 1 0 228.336 0.916 10 0 BCAERO CCN(CC)C(=O)C[C@H](C)[NH2+][C@@H](C)[C@@H](C)O ZINC000309958282 633981745 /nfs/dbraw/zinc/98/17/45/633981745.db2.gz JRVJREYEPDGNAU-GARJFASQSA-N 1 0 230.352 0.992 10 0 BCAERO CC[N@@H+]1C[C@@H](C)[C@@H](NCc2cnn(C)n2)C1 ZINC000309655774 633984406 /nfs/dbraw/zinc/98/44/06/633984406.db2.gz PSBXZIYBMQEGAE-KOLCDFICSA-N 1 0 223.324 0.245 10 0 BCAERO C[C@@H]([NH3+])CCNC(=O)c1ccc(N)cc1 ZINC000309798609 634010083 /nfs/dbraw/zinc/01/00/83/634010083.db2.gz QSHQOWWQFQIOLY-MRVPVSSYSA-N 1 0 207.277 0.736 10 0 BCAERO C[C@H](NC(=O)[C@@H]1CCC[NH2+]C1)[C@@H]1CCCO1 ZINC000035734996 634078386 /nfs/dbraw/zinc/07/83/86/634078386.db2.gz CZGHJLKXGWPKDJ-AXFHLTTASA-N 1 0 226.320 0.670 10 0 BCAERO Cc1n[nH]nc1C(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000189008940 634160068 /nfs/dbraw/zinc/16/00/68/634160068.db2.gz NLIJVMMMTKUXRB-WCBMZHEXSA-N 1 0 249.318 0.422 10 0 BCAERO CC[C@](C)(O)C[NH2+][C@@H](C)c1nnnn1C1CC1 ZINC000191488072 634214210 /nfs/dbraw/zinc/21/42/10/634214210.db2.gz DYOWAYDESSLDKW-KWQFWETISA-N 1 0 239.323 0.820 10 0 BCAERO CC(C)(C)[NH2+]CCC(=O)N1CC[C@@H](CCO)C1 ZINC000123241329 634229233 /nfs/dbraw/zinc/22/92/33/634229233.db2.gz PNCYECDLYTYEFO-NSHDSACASA-N 1 0 242.363 0.996 10 0 BCAERO C[C@@H](NC(=O)[C@@H]([NH3+])CO)c1ccccc1 ZINC000220316637 634260763 /nfs/dbraw/zinc/26/07/63/634260763.db2.gz BKTJVAGRCVMKHG-SCZZXKLOSA-N 1 0 208.261 0.183 10 0 BCAERO C[C@H](C[NH2+]C[C@H]1CCC=CO1)N1CCOCC1 ZINC000194192984 634308173 /nfs/dbraw/zinc/30/81/73/634308173.db2.gz BCRNNKBCBAJSCL-CHWSQXEVSA-N 1 0 240.347 0.989 10 0 BCAERO COC[C@H]([NH3+])C(=O)NC[C@H](C)C(C)(C)C ZINC000162744212 634333368 /nfs/dbraw/zinc/33/33/68/634333368.db2.gz JJOAPXJZWAESJZ-IUCAKERBSA-N 1 0 216.325 0.759 10 0 BCAERO C[C@H]([NH3+])CN(C)c1cc(N(C)C)ncn1 ZINC000258602416 635170771 /nfs/dbraw/zinc/17/07/71/635170771.db2.gz BEIKKMKODBVBQN-QMMMGPOBSA-N 1 0 209.297 0.326 10 0 BCAERO [NH3+]C1CC(C(=O)NCC2CCOCC2)C1 ZINC000258740033 635194524 /nfs/dbraw/zinc/19/45/24/635194524.db2.gz PBBQMZXLQDDOQL-UHFFFAOYSA-N 1 0 212.293 0.267 10 0 BCAERO [NH3+]C1CC(C(=O)NCc2cccnc2)C1 ZINC000258840676 635210934 /nfs/dbraw/zinc/21/09/34/635210934.db2.gz WTVMUTREQYDFMN-UHFFFAOYSA-N 1 0 205.261 0.435 10 0 BCAERO Cc1ccc(CNC(=O)[C@@H]([NH3+])CO)c(C)c1 ZINC000259013882 635234064 /nfs/dbraw/zinc/23/40/64/635234064.db2.gz SDQOHYHSFCGQAL-NSHDSACASA-N 1 0 222.288 0.239 10 0 BCAERO C[C@@H]([NH2+]Cc1cn(C(C)(C)C)nn1)[C@H](C)O ZINC000336777008 635286986 /nfs/dbraw/zinc/28/69/86/635286986.db2.gz HEAPDBOKDIKDEC-BDAKNGLRSA-N 1 0 226.324 0.892 10 0 BCAERO CC(C)Cc1noc([C@H]2C[C@@H](O)C[NH2+]2)n1 ZINC000159080912 635788420 /nfs/dbraw/zinc/78/84/20/635788420.db2.gz GULZUTTVMQWDRU-HTQZYQBOSA-N 1 0 211.265 0.663 10 0 BCAERO COC[C@@H](C)C(=O)N[C@](C)(C[NH3+])C1CC1 ZINC000237158970 636010038 /nfs/dbraw/zinc/01/00/38/636010038.db2.gz OOPHATGBKWZHGX-LDYMZIIASA-N 1 0 214.309 0.513 10 0 BCAERO COC[C@H](C)C(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000237230976 636067070 /nfs/dbraw/zinc/06/70/70/636067070.db2.gz CHPKIGYXHVGYHU-HBNTYKKESA-N 1 0 228.336 0.997 10 0 BCAERO COC(=O)[C@@H]1CCCCN1C(=O)[C@H](C)C[NH3+] ZINC000054340892 636427032 /nfs/dbraw/zinc/42/70/32/636427032.db2.gz AGNHPYFLHMDJNS-BDAKNGLRSA-N 1 0 228.292 0.135 10 0 BCAERO O=C(NC[C@@H]1CCCC[C@H]1O)C1CC[NH2+]CC1 ZINC000085985848 636882744 /nfs/dbraw/zinc/88/27/44/636882744.db2.gz UHPOWRXQUZVACO-NWDGAFQWSA-N 1 0 240.347 0.653 10 0 BCAERO O=C(NC[C@H]1CCCC[C@H]1O)C1CC[NH2+]CC1 ZINC000085985852 636883211 /nfs/dbraw/zinc/88/32/11/636883211.db2.gz UHPOWRXQUZVACO-VXGBXAGGSA-N 1 0 240.347 0.653 10 0 BCAERO C[C@]1(C(=O)NC[C@H]2CCCC[C@@H]2O)CC[NH2+]C1 ZINC000085986846 636883242 /nfs/dbraw/zinc/88/32/42/636883242.db2.gz YUEDYPTVESIHOY-MDZLAQPJSA-N 1 0 240.347 0.653 10 0 BCAERO CCON1CCC([NH2+][C@@H](C)[C@@H](C)O)CC1 ZINC000323387943 636924902 /nfs/dbraw/zinc/92/49/02/636924902.db2.gz QWZRDCTXRCUNKJ-VHSXEESVSA-N 1 0 216.325 0.761 10 0 BCAERO CCN1CCC[C@@H]([NH2+]C2CCS(=O)CC2)C1 ZINC000042354115 637189787 /nfs/dbraw/zinc/18/97/87/637189787.db2.gz QIEYEAZOXVPVCK-BWBHSNQOSA-N 1 0 244.404 0.971 10 0 BCAERO CN(C[C@@H]1CCCO1)C1(C[NH3+])CCOCC1 ZINC000042463523 637263989 /nfs/dbraw/zinc/26/39/89/637263989.db2.gz ZVPQSGZSZOVDSG-NSHDSACASA-N 1 0 228.336 0.605 10 0 BCAERO [NH3+][C@H]1CCCN(C(=O)c2cccnc2F)C1 ZINC000043220397 638070984 /nfs/dbraw/zinc/07/09/84/638070984.db2.gz JSIKGEDLIRRLJW-QMMMGPOBSA-N 1 0 223.251 0.784 10 0 BCAERO CCc1nc[nH]c1C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000906593151 638214041 /nfs/dbraw/zinc/21/40/41/638214041.db2.gz CHFHUMUFHVAFOA-SNVBAGLBSA-N 1 0 248.330 0.892 10 0 BCAERO CCc1nc([C@@H]2C[C@H](OC)C[NH2+]2)n(C)n1 ZINC000054697106 640305680 /nfs/dbraw/zinc/30/56/80/640305680.db2.gz LCMVKKGEBAQORG-YUMQZZPRSA-N 1 0 210.281 0.427 10 0 BCAERO Cn1nc(-c2cccs2)nc1[C@@H]([NH3+])CO ZINC000054699822 640321512 /nfs/dbraw/zinc/32/15/12/640321512.db2.gz GFSRRKHWNDMWBU-LURJTMIESA-N 1 0 224.289 0.536 10 0 BCAERO Cn1nc(C2CCCC2)nc1[C@@H]([NH3+])CCO ZINC000054699173 640322360 /nfs/dbraw/zinc/32/23/60/640322360.db2.gz DLCBKYDOQKQKMX-VIFPVBQESA-N 1 0 224.308 0.855 10 0 BCAERO CC[NH2+][C@](C)(CCCn1cccn1)C(N)=O ZINC000045434678 640556461 /nfs/dbraw/zinc/55/64/61/640556461.db2.gz JTXHXVPCEZKKQO-LLVKDONJSA-N 1 0 224.308 0.517 10 0 BCAERO CCOC(=O)[C@@](C)([NH3+])CCCn1cccn1 ZINC000045434641 640557293 /nfs/dbraw/zinc/55/72/93/640557293.db2.gz CFGBIMWATQUGKM-NSHDSACASA-N 1 0 225.292 0.944 10 0 BCAERO CC[NH2+][C@@](C)(CCn1ccnc1C)C(N)=O ZINC000045433124 640557968 /nfs/dbraw/zinc/55/79/68/640557968.db2.gz MTIQUSIQNJAJKO-NSHDSACASA-N 1 0 224.308 0.435 10 0 BCAERO C[C@@]([NH3+])(Cn1cnc2ccccc21)C(N)=O ZINC000045434237 640557991 /nfs/dbraw/zinc/55/79/91/640557991.db2.gz AGUVOSPRCDPVLU-LLVKDONJSA-N 1 0 218.260 0.239 10 0 BCAERO CCOC(=O)[C@@](C)([NH3+])CCn1ccnc1C ZINC000045433085 640558063 /nfs/dbraw/zinc/55/80/63/640558063.db2.gz RDLNLPDUDWZQSH-NSHDSACASA-N 1 0 225.292 0.862 10 0 BCAERO CC[NH2+][C@](C)(CCn1cc(Cl)cn1)C(N)=O ZINC000045437005 640559307 /nfs/dbraw/zinc/55/93/07/640559307.db2.gz VIGPNKZFLWCVFA-SNVBAGLBSA-N 1 0 244.726 0.780 10 0 BCAERO CCc1c(C)nn(C[C@H]([NH2+]C)C(N)=O)c1C ZINC000045459060 640563740 /nfs/dbraw/zinc/56/37/40/640563740.db2.gz NFBFWMURAMNTEV-JTQLQIEISA-N 1 0 224.308 0.136 10 0 BCAERO CCc1nccn1CC[C@](C)([NH2+]C)C(N)=O ZINC000045460680 640567255 /nfs/dbraw/zinc/56/72/55/640567255.db2.gz FUSZVZVHQIZUHA-NSHDSACASA-N 1 0 224.308 0.299 10 0 BCAERO CCc1nccn1CCC[C@@](C)([NH3+])C(N)=O ZINC000045460323 640567326 /nfs/dbraw/zinc/56/73/26/640567326.db2.gz NUTUKDYOPHDDTG-LLVKDONJSA-N 1 0 224.308 0.428 10 0 BCAERO CC(C)Cc1nc([C@H]([NH3+])[C@H](C)O)n(C)n1 ZINC000054698977 640710616 /nfs/dbraw/zinc/71/06/16/640710616.db2.gz OHWWKZYTDBZECS-IONNQARKSA-N 1 0 212.297 0.394 10 0 BCAERO C[C@@H](O)[C@@H]([NH3+])c1nc(C(C)(C)C)nn1C ZINC000054698675 640710780 /nfs/dbraw/zinc/71/07/80/640710780.db2.gz IMIKHZNBQZYDBE-RNFRBKRXSA-N 1 0 212.297 0.493 10 0 BCAERO CC(C)OC[C@H](O)CN1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000226127051 640732918 /nfs/dbraw/zinc/73/29/18/640732918.db2.gz DVJAZQVZKXZEPA-GRYCIOLGSA-N 1 0 230.352 0.455 10 0 BCAERO C[C@H](CNC(=O)[C@H]1C[C@@H](O)C[NH2+]1)C(C)(C)C ZINC000226356743 640751496 /nfs/dbraw/zinc/75/14/96/640751496.db2.gz DONPMUXQFLTNHB-OPRDCNLKSA-N 1 0 228.336 0.508 10 0 BCAERO [NH3+]CCCCCCC(=O)N1CCO[C@@H](CO)C1 ZINC000167927425 640766053 /nfs/dbraw/zinc/76/60/53/640766053.db2.gz RTTRZODJVZLQFW-LLVKDONJSA-N 1 0 244.335 0.115 10 0 BCAERO CN(C[C@@H](O)C(F)(F)F)[C@@H]1CCC[NH2+]CC1 ZINC000226467087 640767781 /nfs/dbraw/zinc/76/77/81/640767781.db2.gz DRKUROZELAIWBJ-RKDXNWHRSA-N 1 0 240.269 0.984 10 0 BCAERO CN(C[C@H](O)C(F)(F)F)[C@@H]1CCC[NH2+]CC1 ZINC000226467094 640767826 /nfs/dbraw/zinc/76/78/26/640767826.db2.gz DRKUROZELAIWBJ-BDAKNGLRSA-N 1 0 240.269 0.984 10 0 BCAERO Cn1cc(/C=C/C(=O)N[C@@H]2CCC[C@@H]2C[NH3+])cn1 ZINC000157907305 640771307 /nfs/dbraw/zinc/77/13/07/640771307.db2.gz BRWABJSWPITAMX-IEVRTODYSA-N 1 0 248.330 0.677 10 0 BCAERO CCN1CCO[C@@H](CNC(=[NH2+])NC(C)C)C1 ZINC000226758040 640792239 /nfs/dbraw/zinc/79/22/39/640792239.db2.gz DQIBSGDGGDGIJM-JTQLQIEISA-N 1 0 228.340 0.229 10 0 BCAERO C[C@@H]([NH3+])CC(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000226928457 640803648 /nfs/dbraw/zinc/80/36/48/640803648.db2.gz OAQIDLXIPLIIEF-GMTAPVOTSA-N 1 0 226.320 0.894 10 0 BCAERO CO[C@@H](C[NH3+])C(=O)N[C@H](C)C1CCCC1 ZINC000227385188 640830903 /nfs/dbraw/zinc/83/09/03/640830903.db2.gz MOGUDTDDXYWZBO-SCZZXKLOSA-N 1 0 214.309 0.655 10 0 BCAERO C[C@]1(C(=O)NC[C@@H](O)C(F)(F)F)CCC[NH2+]1 ZINC000227424262 640832887 /nfs/dbraw/zinc/83/28/87/640832887.db2.gz AYDOBGODQVCERG-HTRCEHHLSA-N 1 0 240.225 0.168 10 0 BCAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C[C@@H](O)C1CC1 ZINC000227474760 640835808 /nfs/dbraw/zinc/83/58/08/640835808.db2.gz DGKWKSDWQAVUFU-RAIGVLPGSA-N 1 0 224.348 0.926 10 0 BCAERO CCCCOC[C@@H](O)C[NH2+]C(C)(C)CO ZINC000227888804 640852386 /nfs/dbraw/zinc/85/23/86/640852386.db2.gz BNDDTCOWCXVJDK-JTQLQIEISA-N 1 0 219.325 0.525 10 0 BCAERO CCCCOC[C@@H](O)C[N@H+](C)CCC[NH3+] ZINC000227911541 640853488 /nfs/dbraw/zinc/85/34/88/640853488.db2.gz XAELTYVEGMJYRJ-NSHDSACASA-N 1 0 218.341 0.445 10 0 BCAERO CCCCOC[C@H](O)Cn1cc([C@@H](C)[NH3+])nn1 ZINC000227913680 640853573 /nfs/dbraw/zinc/85/35/73/640853573.db2.gz HOGWNMVUNGOLRZ-NXEZZACHSA-N 1 0 242.323 0.475 10 0 BCAERO CCCCOC[C@H](O)CN1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000227910534 640853913 /nfs/dbraw/zinc/85/39/13/640853913.db2.gz KRWDVTSNJUICMI-FRRDWIJNSA-N 1 0 244.379 0.846 10 0 BCAERO CCCCOC[C@@H](O)CN1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000227910529 640854072 /nfs/dbraw/zinc/85/40/72/640854072.db2.gz KRWDVTSNJUICMI-XQQFMLRXSA-N 1 0 244.379 0.846 10 0 BCAERO CCCCOC[C@H](O)CN1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000227910743 640854117 /nfs/dbraw/zinc/85/41/17/640854117.db2.gz QTRADSBSYAABEO-FRRDWIJNSA-N 1 0 244.379 0.846 10 0 BCAERO [NH3+][C@@H](CO)C(=O)NC1(c2ccccc2)CCC1 ZINC000169812117 640877431 /nfs/dbraw/zinc/87/74/31/640877431.db2.gz PLWKCTDPQYYORX-NSHDSACASA-N 1 0 234.299 0.502 10 0 BCAERO CCNC(=O)CC[N@H+]1C[C@H](C(=O)OC)[C@H](C)C1 ZINC000228697351 640890459 /nfs/dbraw/zinc/89/04/59/640890459.db2.gz IZEJCPLSGQHSLV-ZJUUUORDSA-N 1 0 242.319 0.254 10 0 BCAERO COC[C@@H]([NH3+])C(=O)NCCC1CCC1 ZINC000229107962 640923196 /nfs/dbraw/zinc/92/31/96/640923196.db2.gz ULLJWEOQKUAQFI-SECBINFHSA-N 1 0 200.282 0.267 10 0 BCAERO COC(=O)[C@@H]1C[NH2+]C[C@@H]1c1ccc(C)cn1 ZINC000229203519 640931756 /nfs/dbraw/zinc/93/17/56/640931756.db2.gz JILUKWYCBDTFSS-VHSXEESVSA-N 1 0 220.272 0.866 10 0 BCAERO CCOC(=O)[C@@H]1C[NH2+]C[C@@H]1[C@@H]1CCOC1 ZINC000229221136 640933692 /nfs/dbraw/zinc/93/36/92/640933692.db2.gz VUZZXLJJAVOIMD-OPRDCNLKSA-N 1 0 213.277 0.422 10 0 BCAERO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1c1cccnc1 ZINC000229217133 640934302 /nfs/dbraw/zinc/93/43/02/640934302.db2.gz KZOXUQMZCHHBDM-WDEREUQCSA-N 1 0 220.272 0.948 10 0 BCAERO C[C@H]1[NH2+]CCC[C@H]1NC(=O)c1ccc[nH]c1=O ZINC000229583635 640967668 /nfs/dbraw/zinc/96/76/68/640967668.db2.gz GEFXHLDNIPORMH-PSASIEDQSA-N 1 0 235.287 0.658 10 0 BCAERO Cc1cc(N[C@@H]2CCC[NH2+][C@H]2C)n2ncnc2n1 ZINC000229610291 640968694 /nfs/dbraw/zinc/96/86/94/640968694.db2.gz DLANDGSDDSFMOD-VHSXEESVSA-N 1 0 246.318 0.985 10 0 BCAERO O=C(NC[C@@H]1CC[NH2+]C1)C(F)(F)C(F)F ZINC000230072877 641012957 /nfs/dbraw/zinc/01/29/57/641012957.db2.gz HBIVELLLJFZIAS-RXMQYKEDSA-N 1 0 228.189 0.613 10 0 BCAERO CC[C@H]1CN(C(=O)[C@H]2CC[NH2+]C2)CCO1 ZINC000062112900 641020656 /nfs/dbraw/zinc/02/06/56/641020656.db2.gz XQBUCNJZCDAYGZ-UWVGGRQHSA-N 1 0 212.293 0.233 10 0 BCAERO CC1(C)CN(C(=O)[C@@H]2CC[NH2+]C2)CCO1 ZINC000062113035 641021605 /nfs/dbraw/zinc/02/16/05/641021605.db2.gz FIZKKNYMPRNEFX-SECBINFHSA-N 1 0 212.293 0.233 10 0 BCAERO COC(=O)[C@H]([NH3+])CCn1nc(C)c(C)c1C ZINC000062536733 641059989 /nfs/dbraw/zinc/05/99/89/641059989.db2.gz FFZDBVORGPHYRI-SNVBAGLBSA-N 1 0 225.292 0.699 10 0 BCAERO C[NH2+][C@@H](CCn1nc(C)c(C)c1C)C(N)=O ZINC000062536682 641060179 /nfs/dbraw/zinc/06/01/79/641060179.db2.gz BJOQVDNBWARCKA-JTQLQIEISA-N 1 0 224.308 0.272 10 0 BCAERO NC(=O)[C@H]([NH3+])CCn1ccc(C(F)(F)F)n1 ZINC000062537083 641060327 /nfs/dbraw/zinc/06/03/27/641060327.db2.gz FROXZCBDCRMYDY-RXMQYKEDSA-N 1 0 236.197 0.105 10 0 BCAERO CCN(CC)C(=O)[C@H](C)OC1C[NH2+]C1 ZINC000062809814 641092783 /nfs/dbraw/zinc/09/27/83/641092783.db2.gz SWVJSJQIKDDTOD-QMMMGPOBSA-N 1 0 200.282 0.232 10 0 BCAERO CCC[C@H](C)NC(=O)[C@H](C)OC1C[NH2+]C1 ZINC000062809808 641094134 /nfs/dbraw/zinc/09/41/34/641094134.db2.gz ANEFTIVMLSKFPU-IUCAKERBSA-N 1 0 214.309 0.668 10 0 BCAERO C[C@@H](OC1C[NH2+]C1)C(=O)N1CCCCC1 ZINC000062809816 641095158 /nfs/dbraw/zinc/09/51/58/641095158.db2.gz NGFGACRHWLBGBV-SECBINFHSA-N 1 0 212.293 0.376 10 0 BCAERO CC(C)(C)[NH2+]CCN1CCO[C@@H](CO)C1 ZINC000230978408 641120852 /nfs/dbraw/zinc/12/08/52/641120852.db2.gz NASDCWYFCRRDPY-SNVBAGLBSA-N 1 0 216.325 0.068 10 0 BCAERO O=C1C[C@H]([NH2+][C@H]2CCCC[C@@H]2CO)CCCN1 ZINC000231312645 641154053 /nfs/dbraw/zinc/15/40/53/641154053.db2.gz QHEMXIIWTWWIQX-UTUOFQBUSA-N 1 0 240.347 0.796 10 0 BCAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cnc(N)cn1 ZINC000231301386 641160692 /nfs/dbraw/zinc/16/06/92/641160692.db2.gz OFLWMXJYXKBGQE-ZYHUDNBSSA-N 1 0 247.346 0.727 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N[C@H](C)C1CCCC1 ZINC000088004498 641221933 /nfs/dbraw/zinc/22/19/33/641221933.db2.gz SFYQEMJEZVHYBZ-PSASIEDQSA-N 1 0 214.309 0.655 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N[C@@H](C)[C@H]1CCCO1 ZINC000232013881 641230206 /nfs/dbraw/zinc/23/02/06/641230206.db2.gz QRSMSGLITCVPHR-LPEHRKFASA-N 1 0 214.309 0.798 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)NCc1ccon1 ZINC000088053051 641282961 /nfs/dbraw/zinc/28/29/61/641282961.db2.gz PQXBEQDHDKUXBE-WCBMZHEXSA-N 1 0 223.276 0.666 10 0 BCAERO Cc1cc(N[C@H]2CCC[C@H]2C[NH3+])n2ncnc2n1 ZINC000089092149 641427953 /nfs/dbraw/zinc/42/79/53/641427953.db2.gz KMHXWTYNGHWBKZ-UWVGGRQHSA-N 1 0 246.318 0.972 10 0 BCAERO Cc1ccc([C@@H](O)CNC(=O)C2([NH3+])CC2)cc1 ZINC000151913738 641479429 /nfs/dbraw/zinc/47/94/29/641479429.db2.gz FGOKLFHJHATDDR-NSHDSACASA-N 1 0 234.299 0.636 10 0 BCAERO [NH3+][C@@H](C(=O)NC[C@H]1CCC[C@H]1O)c1ccccc1 ZINC000089169800 641509261 /nfs/dbraw/zinc/50/92/61/641509261.db2.gz MZZITIYTNPEZOE-JHJVBQTASA-N 1 0 248.326 0.964 10 0 BCAERO Cc1c(C(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)cnn1C ZINC000040740465 641534451 /nfs/dbraw/zinc/53/44/51/641534451.db2.gz BMGGICVUCJJTHN-ZACCUICWSA-N 1 0 248.330 0.741 10 0 BCAERO CCS(=O)(=O)CC[NH2+][C@@H](CO)CC(C)C ZINC000040777500 641535969 /nfs/dbraw/zinc/53/59/69/641535969.db2.gz QXDVAMNOJDGOPQ-SNVBAGLBSA-N 1 0 237.365 0.418 10 0 BCAERO NC(=O)c1cc(NC[C@H]2CCCC[NH2+]2)ccn1 ZINC000044493520 641603007 /nfs/dbraw/zinc/60/30/07/641603007.db2.gz HORSLOCMWWDSAW-SNVBAGLBSA-N 1 0 234.303 0.735 10 0 BCAERO Cc1cc2c(N(C)[C@H](C)C[NH3+])nccn2n1 ZINC000157031855 641612786 /nfs/dbraw/zinc/61/27/86/641612786.db2.gz XVMFMWAONHFNJV-SECBINFHSA-N 1 0 219.292 0.821 10 0 BCAERO CSCC[C@H](C)NC(=O)[C@@H]1CC[NH2+]C1 ZINC000158331710 641631383 /nfs/dbraw/zinc/63/13/83/641631383.db2.gz LSRZOXDLVGMHNT-DTWKUNHWSA-N 1 0 216.350 0.854 10 0 BCAERO CCNC(=O)CCCC(=O)N1CCC[C@H]([NH3+])C1 ZINC000158472468 641636086 /nfs/dbraw/zinc/63/60/86/641636086.db2.gz LAGQRXOTAQDFMI-JTQLQIEISA-N 1 0 241.335 0.243 10 0 BCAERO COc1c(CN2CC[C@@H](C[NH3+])C2)c(C)nn1C ZINC000158493251 641638371 /nfs/dbraw/zinc/63/83/71/641638371.db2.gz PZFOXZZGBPBFLQ-JTQLQIEISA-N 1 0 238.335 0.518 10 0 BCAERO CN(C)c1noc([C@@H]2CCC[C@@H]2C[NH3+])n1 ZINC000158839776 641654419 /nfs/dbraw/zinc/65/44/19/641654419.db2.gz PURHPJNGZQPVGB-HTQZYQBOSA-N 1 0 210.281 0.978 10 0 BCAERO Cc1nnc(N2CCC[C@H]([NH3+])C2)nc1C ZINC000158927461 641658354 /nfs/dbraw/zinc/65/83/54/641658354.db2.gz XZFYQTDOBCNCOO-VIFPVBQESA-N 1 0 207.281 0.416 10 0 BCAERO CC(C)OCC(=O)NCC1CC([NH3+])C1 ZINC000159135940 641667089 /nfs/dbraw/zinc/66/70/89/641667089.db2.gz HSPKACCEIBSLPN-UHFFFAOYSA-N 1 0 200.282 0.265 10 0 BCAERO CO[C@H]1C[NH2+][C@@H](C(=O)NCCC2CCC2)C1 ZINC000159150621 641667510 /nfs/dbraw/zinc/66/75/10/641667510.db2.gz YYLVEULAXJBLGS-GHMZBOCLSA-N 1 0 226.320 0.670 10 0 BCAERO COC[C@H](O)C[N@@H+]1CCC[C@@H](C(C)=O)C1 ZINC000225482306 641709344 /nfs/dbraw/zinc/70/93/44/641709344.db2.gz ALDAVMJMNKBMLC-GHMZBOCLSA-N 1 0 215.293 0.295 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@@H]1c1nc(-c2nc[nH]n2)no1 ZINC000089430739 641734116 /nfs/dbraw/zinc/73/41/16/641734116.db2.gz JQIIXJDFHYYOHD-BQBZGAKWSA-N 1 0 234.263 0.697 10 0 BCAERO CS(=O)(=O)CC[NH2+][C@@H]1CCCC[C@@H]1CO ZINC000231311140 641777988 /nfs/dbraw/zinc/77/79/88/641777988.db2.gz BBAZYBVSHKBPLR-NXEZZACHSA-N 1 0 235.349 0.172 10 0 BCAERO CC(C)(C)[C@@H](O)CNC(=O)C[C@H]([NH3+])C1CC1 ZINC000324392826 641792616 /nfs/dbraw/zinc/79/26/16/641792616.db2.gz ZFJZHUNAXIQYHW-UWVGGRQHSA-N 1 0 228.336 0.637 10 0 BCAERO Cc1nnc2c(N(C)C[C@H](C)[NH3+])nccn12 ZINC000070617477 642436341 /nfs/dbraw/zinc/43/63/41/642436341.db2.gz VKFIKVHVOFFMHE-ZETCQYMHSA-N 1 0 220.280 0.216 10 0 BCAERO CC[C@](C)(O)C[N@@H+]1C[C@H](C)[C@@H](C(=O)OC)C1 ZINC000253279553 642632342 /nfs/dbraw/zinc/63/23/42/642632342.db2.gz KAPXDNULUMIFOC-NHCYSSNCSA-N 1 0 229.320 0.888 10 0 BCAERO CCN(Cc1cn(C)nn1)C[C@H]1CCC[NH2+]C1 ZINC000233497943 642678629 /nfs/dbraw/zinc/67/86/29/642678629.db2.gz UZTCUXRUSMNGAQ-NSHDSACASA-N 1 0 237.351 0.637 10 0 BCAERO C[C@H]1C[N@H+](CC2OCCO2)CCS1 ZINC000306263167 642733799 /nfs/dbraw/zinc/73/37/99/642733799.db2.gz MXBDEHJXMUVYPZ-QMMMGPOBSA-N 1 0 203.307 0.797 10 0 BCAERO CC(C)c1nnsc1C(=O)N1CC[C@H]([NH3+])C1 ZINC000130867941 642830298 /nfs/dbraw/zinc/83/02/98/642830298.db2.gz WGYQJORYXRQJKX-ZETCQYMHSA-N 1 0 240.332 0.835 10 0 BCAERO CCOC(=O)[C@H]1C[NH2+]C[C@H]1c1ccccn1 ZINC000080601895 642846894 /nfs/dbraw/zinc/84/68/94/642846894.db2.gz UXWYDCAPQPYWIH-ZJUUUORDSA-N 1 0 220.272 0.948 10 0 BCAERO CC(=O)[C@@H]1CCC[N@H+](C[C@H]2CNC(=O)O2)C1 ZINC000250510125 642871066 /nfs/dbraw/zinc/87/10/66/642871066.db2.gz AMKQROLBRAJJPJ-NXEZZACHSA-N 1 0 226.276 0.396 10 0 BCAERO C[C@H]1COCCN1C(=O)CCC(C)(C)[NH3+] ZINC000069633645 642887463 /nfs/dbraw/zinc/88/74/63/642887463.db2.gz HDTTYAKWVWSHHC-VIFPVBQESA-N 1 0 214.309 0.751 10 0 BCAERO C[NH2+][C@@H](C)C(=O)N[C@H]1COc2ccccc21 ZINC000070069113 642965923 /nfs/dbraw/zinc/96/59/23/642965923.db2.gz QWHJXJCBAZYVAN-WPRPVWTQSA-N 1 0 220.272 0.844 10 0 BCAERO CC[NH2+]CC(=O)N[C@@H]1COc2ccccc21 ZINC000070069101 642966939 /nfs/dbraw/zinc/96/69/39/642966939.db2.gz IPAIBHZVFRHODZ-SNVBAGLBSA-N 1 0 220.272 0.846 10 0 BCAERO NC(=O)CC[NH2+][C@H]1COc2ccccc21 ZINC000070068978 642967014 /nfs/dbraw/zinc/96/70/14/642967014.db2.gz KWUNWGXKQCNUSI-VIFPVBQESA-N 1 0 206.245 0.585 10 0 BCAERO CC(=O)[C@@H]1CCC[N@@H+]([C@@H]2CCN(C)C2=O)C1 ZINC000070583557 643043785 /nfs/dbraw/zinc/04/37/85/643043785.db2.gz KBSKCRNYXHKUGH-GHMZBOCLSA-N 1 0 224.304 0.518 10 0 BCAERO CCOc1cncc(N2CC[C@@H](C[NH3+])C2)n1 ZINC000070580091 643044770 /nfs/dbraw/zinc/04/47/70/643044770.db2.gz QYLPZOUBBRDGJS-VIFPVBQESA-N 1 0 222.292 0.660 10 0 BCAERO Cc1ccn(CC[C@@H]([NH2+]C2CC2)C(N)=O)n1 ZINC000070686350 643058210 /nfs/dbraw/zinc/05/82/10/643058210.db2.gz YXIAUJRUPSOZPY-SNVBAGLBSA-N 1 0 222.292 0.188 10 0 BCAERO Cc1ccn(CCCC[C@](C)([NH3+])C(N)=O)n1 ZINC000070686528 643058925 /nfs/dbraw/zinc/05/89/25/643058925.db2.gz MMJAOPNLWOZFMT-NSHDSACASA-N 1 0 224.308 0.565 10 0 BCAERO Cc1ccn(CC[C@H]([NH2+]C2CC2)C(N)=O)n1 ZINC000070686345 643059380 /nfs/dbraw/zinc/05/93/80/643059380.db2.gz YXIAUJRUPSOZPY-JTQLQIEISA-N 1 0 222.292 0.188 10 0 BCAERO Cc1nn(C[C@@H]([NH2+]C(C)C)C(N)=O)cc1Cl ZINC000070704309 643061617 /nfs/dbraw/zinc/06/16/17/643061617.db2.gz OQJZHSSHUHFWNG-SECBINFHSA-N 1 0 244.726 0.697 10 0 BCAERO CC[NH2+][C@@H](CCn1ncc(Cl)c1C)C(N)=O ZINC000070704637 643064775 /nfs/dbraw/zinc/06/47/75/643064775.db2.gz ZMZLYVTUKHCNKQ-VIFPVBQESA-N 1 0 244.726 0.698 10 0 BCAERO CCN(c1ccnc(C)n1)[C@@H]1CC[NH2+]C1 ZINC000070901377 643081754 /nfs/dbraw/zinc/08/17/54/643081754.db2.gz WDQQEPDOPANWEE-SNVBAGLBSA-N 1 0 206.293 0.973 10 0 BCAERO COCc1cc(-c2nc([C@H](C)C[NH3+])no2)no1 ZINC000090254672 643085452 /nfs/dbraw/zinc/08/54/52/643085452.db2.gz UTTQVMLAHNSBPH-ZCFIWIBFSA-N 1 0 238.247 0.933 10 0 BCAERO C[C@H](CC[NH+](C)C)NC(=O)n1ccnc1 ZINC000049559480 643086981 /nfs/dbraw/zinc/08/69/81/643086981.db2.gz GKHKPILMGHLCHS-SECBINFHSA-N 1 0 210.281 0.781 10 0 BCAERO CCN(c1ncnc2nc[nH]c21)[C@@H]1CC[NH2+]C1 ZINC000071314316 643125676 /nfs/dbraw/zinc/12/56/76/643125676.db2.gz NGLODZGOVVEPMG-MRVPVSSYSA-N 1 0 232.291 0.541 10 0 BCAERO CN(C[C@H]1CCCO1)C(=O)C(C)(C)[NH3+] ZINC000042465717 643131464 /nfs/dbraw/zinc/13/14/64/643131464.db2.gz GVQJELRRVBOKFJ-MRVPVSSYSA-N 1 0 200.282 0.361 10 0 BCAERO CO[C@@H]1C[NH2+][C@H](C(=O)Nc2cnccc2C)C1 ZINC000071414182 643146039 /nfs/dbraw/zinc/14/60/39/643146039.db2.gz SGQUAWRWBGDGHP-UWVGGRQHSA-N 1 0 235.287 0.705 10 0 BCAERO C[C@H]([NH3+])CCC(=O)N(C)C[C@H]1CCCO1 ZINC000069839893 643301261 /nfs/dbraw/zinc/30/12/61/643301261.db2.gz UDESAHWTCHNPPR-VHSXEESVSA-N 1 0 214.309 0.751 10 0 BCAERO C1Cc2[nH]nc(C3CCOCC3)c2C[NH2+]1 ZINC000082377888 643305059 /nfs/dbraw/zinc/30/50/59/643305059.db2.gz VWDVYBIPAWUWMN-UHFFFAOYSA-N 1 0 207.277 0.949 10 0 BCAERO Cc1cc(N2CC[C@H]2C(N)=O)[nH+]cc1N ZINC000757152021 643344046 /nfs/dbraw/zinc/34/40/46/643344046.db2.gz YKKLKHSRKQHIAJ-QMMMGPOBSA-N 1 0 206.249 0.036 10 0 BCAERO C[C@]([NH3+])(CC(N)=O)[C@H]1CCCSC1 ZINC000757154128 643346265 /nfs/dbraw/zinc/34/62/65/643346265.db2.gz CQXKJFCVGNBOGM-CBAPKCEASA-N 1 0 202.323 0.722 10 0 BCAERO C[C@H]([NH3+])CN(C)c1ncnc2c1CCC2 ZINC000082592472 643350820 /nfs/dbraw/zinc/35/08/20/643350820.db2.gz GNZZCOFGGHGFCT-QMMMGPOBSA-N 1 0 206.293 0.749 10 0 BCAERO CC(=O)[C@H]1CCC[N@@H+](CCC(=O)N(C)C)C1 ZINC000082644538 643358896 /nfs/dbraw/zinc/35/88/96/643358896.db2.gz RFMXVLNQINPSDQ-NSHDSACASA-N 1 0 226.320 0.766 10 0 BCAERO CNC(=O)CC[N@@H+]1CCC[C@@H](C(C)=O)C1 ZINC000082644517 643359269 /nfs/dbraw/zinc/35/92/69/643359269.db2.gz YUEXGVVLHFDBBY-SNVBAGLBSA-N 1 0 212.293 0.424 10 0 BCAERO CC(=O)[C@@H]1CCC[N@H+](CCOCCO)C1 ZINC000082644543 643359815 /nfs/dbraw/zinc/35/98/15/643359815.db2.gz FTDJRNHQKSMGSF-LLVKDONJSA-N 1 0 215.293 0.296 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@]12CCS(=O)(=O)C2 ZINC000757196252 643365978 /nfs/dbraw/zinc/36/59/78/643365978.db2.gz UJWLKXHYUFXIKY-DTWKUNHWSA-N 1 0 203.307 0.550 10 0 BCAERO [NH3+]C[C@H](CO)C1CCC2(CC1)OCCO2 ZINC000757192593 643366375 /nfs/dbraw/zinc/36/63/75/643366375.db2.gz ORBHWOOIEJAANG-SNVBAGLBSA-N 1 0 215.293 0.487 10 0 BCAERO CC[NH2+][C@](C)(C[C@@H](C)n1cccn1)C(N)=O ZINC000082800436 643381936 /nfs/dbraw/zinc/38/19/36/643381936.db2.gz BKHWMLXLGUGGBB-MWLCHTKSSA-N 1 0 224.308 0.688 10 0 BCAERO Cc1cc(C)n([C@H](C)C[C@](C)([NH3+])C(N)=O)n1 ZINC000082800284 643382327 /nfs/dbraw/zinc/38/23/27/643382327.db2.gz GIKNDOSDSCXYDZ-KOLCDFICSA-N 1 0 224.308 0.654 10 0 BCAERO CC[NH2+][C@](C)(C[C@H](C)n1ccnc1)C(N)=O ZINC000082800142 643382635 /nfs/dbraw/zinc/38/26/35/643382635.db2.gz AHRRNGUOKZLSCR-GXSJLCMTSA-N 1 0 224.308 0.688 10 0 BCAERO CC[NH2+][C@@](C)(C[C@@H](C)n1cncn1)C(N)=O ZINC000082800471 643382976 /nfs/dbraw/zinc/38/29/76/643382976.db2.gz SSQSFRYYSMJDCY-SCZZXKLOSA-N 1 0 225.296 0.083 10 0 BCAERO Cc1nc(C)n([C@@H](C)C[C@@](C)([NH3+])C(N)=O)n1 ZINC000082800557 643383126 /nfs/dbraw/zinc/38/31/26/643383126.db2.gz MQDSETWNDBDWSI-QUBYGPBYSA-N 1 0 225.296 0.049 10 0 BCAERO C[C@@]1(C(=O)N[C@H]2CCCOC2)CC[NH2+]C1 ZINC000071023503 643411284 /nfs/dbraw/zinc/41/12/84/643411284.db2.gz JLZFDVPENBJRIJ-GXSJLCMTSA-N 1 0 212.293 0.281 10 0 BCAERO CCOCCONC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000186008100 643423345 /nfs/dbraw/zinc/42/33/45/643423345.db2.gz OLZAWMIKJUBOAV-JTQLQIEISA-N 1 0 245.323 0.300 10 0 BCAERO CCOC[C@@H](O)C[N@@H+]1CCC[C@H](C(C)=O)C1 ZINC000068953020 643436132 /nfs/dbraw/zinc/43/61/32/643436132.db2.gz BGVZXYSZMDGDQU-RYUDHWBXSA-N 1 0 229.320 0.685 10 0 BCAERO C[C@@H]([NH2+]C[C@@H]1CNC(=O)O1)c1ccccn1 ZINC000292057620 643439053 /nfs/dbraw/zinc/43/90/53/643439053.db2.gz WJJMCRXQAFMECP-RKDXNWHRSA-N 1 0 221.260 0.841 10 0 BCAERO C[C@@H]1COCCN1C(=O)[C@]1(C)CCC[NH2+]1 ZINC000070618773 643464530 /nfs/dbraw/zinc/46/45/30/643464530.db2.gz GJYRFHFMRCDFHF-KOLCDFICSA-N 1 0 212.293 0.376 10 0 BCAERO CCN(c1cc(C)ncn1)[C@H]1CC[NH2+]C1 ZINC000070901054 643466153 /nfs/dbraw/zinc/46/61/53/643466153.db2.gz NFXRMDWQOMRVNG-JTQLQIEISA-N 1 0 206.293 0.973 10 0 BCAERO CN(C)c1nccc(NCC2([NH3+])CCC2)n1 ZINC000234273532 643486924 /nfs/dbraw/zinc/48/69/24/643486924.db2.gz XPKUOFZCIBQTNG-UHFFFAOYSA-N 1 0 221.308 0.836 10 0 BCAERO Cc1cc(N2CCC[C@H]2CO)nc(N)[nH+]1 ZINC000082060643 643507549 /nfs/dbraw/zinc/50/75/49/643507549.db2.gz LCYMPMDNPJFLNG-QMMMGPOBSA-N 1 0 208.265 0.328 10 0 BCAERO CC[N@@H+]1CC[C@H](NC(=S)NC(C)C)C1 ZINC000307597930 643516808 /nfs/dbraw/zinc/51/68/08/643516808.db2.gz OLSLBBBLTOXZMZ-VIFPVBQESA-N 1 0 215.366 0.953 10 0 BCAERO CC[NH2+][C@](C)(C[C@H](C)n1cccn1)C(N)=O ZINC000082800438 643525464 /nfs/dbraw/zinc/52/54/64/643525464.db2.gz BKHWMLXLGUGGBB-GXSJLCMTSA-N 1 0 224.308 0.688 10 0 BCAERO CCC[NH2+]Cc1ccc(S(N)(=O)=O)nc1 ZINC000084175892 643550599 /nfs/dbraw/zinc/55/05/99/643550599.db2.gz CDACQBBWMCAXLD-UHFFFAOYSA-N 1 0 229.305 0.229 10 0 BCAERO Cc1n[nH]cc1C(=O)NCC1CC([NH3+])C1 ZINC000084446927 643557830 /nfs/dbraw/zinc/55/78/30/643557830.db2.gz QUSCQGRCSHHLNP-UHFFFAOYSA-N 1 0 208.265 0.185 10 0 BCAERO C[NH2+]CCc1noc(CC[C@@H]2CCCO2)n1 ZINC000083525220 643585169 /nfs/dbraw/zinc/58/51/69/643585169.db2.gz BAMKIVTYOKJRHD-VIFPVBQESA-N 1 0 225.292 0.943 10 0 BCAERO C[NH2+][C@@]1(C(N)=O)CC[C@H](n2ccnc2C)C1 ZINC000086626652 643636248 /nfs/dbraw/zinc/63/62/48/643636248.db2.gz ORSUYEPSJKXSIW-ONGXEEELSA-N 1 0 222.292 0.360 10 0 BCAERO Cc1cc(C)n([C@H]2CC[C@@]([NH3+])(C(N)=O)C2)n1 ZINC000086626688 643637110 /nfs/dbraw/zinc/63/71/10/643637110.db2.gz SGQYWXVPYYMZRP-ONGXEEELSA-N 1 0 222.292 0.408 10 0 BCAERO C[C@@]1(C(=O)NC[C@@H]2CCC[C@@H]2O)CCC[NH2+]1 ZINC000084238435 643653415 /nfs/dbraw/zinc/65/34/15/643653415.db2.gz QGAOLHJNBWHZHD-NHCYSSNCSA-N 1 0 226.320 0.406 10 0 BCAERO CCS(=O)(=O)CC[NH2+]C[C@H]1CCC[C@H]1O ZINC000084237526 643654179 /nfs/dbraw/zinc/65/41/79/643654179.db2.gz GHJAEVVCXKTKIF-NXEZZACHSA-N 1 0 235.349 0.172 10 0 BCAERO COC(=O)CNC(=O)[C@@H]1CCCC[C@H]1C[NH3+] ZINC000084301970 643654797 /nfs/dbraw/zinc/65/47/97/643654797.db2.gz KMQRTFRGTHNGEL-DTWKUNHWSA-N 1 0 228.292 0.041 10 0 BCAERO C[C@H](O)CCNC(=O)[C@H]1CCCC[C@@H]1C[NH3+] ZINC000084302558 643656473 /nfs/dbraw/zinc/65/64/73/643656473.db2.gz WOFIGRHGXQCZBW-AXFHLTTASA-N 1 0 228.336 0.639 10 0 BCAERO C[C@H]1COCCN1C(=O)C[C@H]1CC[NH2+]C1 ZINC000084382030 643659614 /nfs/dbraw/zinc/65/96/14/643659614.db2.gz OICBRSDLQIBMHC-VHSXEESVSA-N 1 0 212.293 0.233 10 0 BCAERO C[NH2+]C[C@@H]1CCCCN1c1ncnc2nc[nH]c21 ZINC000053706518 643661156 /nfs/dbraw/zinc/66/11/56/643661156.db2.gz HJSFDJQHQKNAFO-VIFPVBQESA-N 1 0 246.318 0.931 10 0 BCAERO Nc1nc2nccc([C@@H]3CCC[NH2+]C3)n2n1 ZINC000236403161 643666768 /nfs/dbraw/zinc/66/67/68/643666768.db2.gz HIBRWZWKGXXLOL-SSDOTTSWSA-N 1 0 218.264 0.174 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)NCC(=O)OC(C)C ZINC000236937565 643698263 /nfs/dbraw/zinc/69/82/63/643698263.db2.gz APNUAAKDLDTRQK-MRVPVSSYSA-N 1 0 216.281 0.182 10 0 BCAERO CC[C@@H](C)NC(=O)[C@@H](C)[NH2+]C(C)(C)CO ZINC000035188341 643914325 /nfs/dbraw/zinc/91/43/25/643914325.db2.gz HWUVDLHLDLDQKQ-RKDXNWHRSA-N 1 0 216.325 0.650 10 0 BCAERO CC[C@@H](C)NC(=O)C[NH2+]C(C)(C)CO ZINC000035188321 643913648 /nfs/dbraw/zinc/91/36/48/643913648.db2.gz SPGUIUZJIMPZMZ-MRVPVSSYSA-N 1 0 202.298 0.262 10 0 BCAERO CC[C@H](C)NC(=O)[C@@H](C)[NH2+]C(C)(C)CO ZINC000035188342 643913867 /nfs/dbraw/zinc/91/38/67/643913867.db2.gz HWUVDLHLDLDQKQ-DTWKUNHWSA-N 1 0 216.325 0.650 10 0 BCAERO CC[C@H](C)NC(=O)C[NH2+]C(C)(C)CO ZINC000035188322 643914257 /nfs/dbraw/zinc/91/42/57/643914257.db2.gz SPGUIUZJIMPZMZ-QMMMGPOBSA-N 1 0 202.298 0.262 10 0 BCAERO COC(=O)[C@]1([NH3+])CCC[C@H](n2ccnc2)C1 ZINC000086604641 644154725 /nfs/dbraw/zinc/15/47/25/644154725.db2.gz OOSNPHLOMHKRBO-ONGXEEELSA-N 1 0 223.276 0.869 10 0 BCAERO Cc1nccn1[C@@H]1CCC[C@]([NH3+])(C(N)=O)C1 ZINC000086604653 644155504 /nfs/dbraw/zinc/15/55/04/644155504.db2.gz SXOBAOBNFRRTPN-MWLCHTKSSA-N 1 0 222.292 0.489 10 0 BCAERO C[NH2+][C@@]1(C(N)=O)CC[C@H](n2ccc(C)n2)C1 ZINC000086627207 644157845 /nfs/dbraw/zinc/15/78/45/644157845.db2.gz GPWVEVLRHRUHBT-ONGXEEELSA-N 1 0 222.292 0.360 10 0 BCAERO c1ccc2c(c1)C[C@H](CN[C@@H]1CC[NH2+]C1)O2 ZINC000086728892 644170474 /nfs/dbraw/zinc/17/04/74/644170474.db2.gz NVMZPDKQCOIPER-VXGBXAGGSA-N 1 0 218.300 0.942 10 0 BCAERO CCN(c1nccn2cnnc12)[C@H]1CC[NH2+]C1 ZINC000079471422 644182643 /nfs/dbraw/zinc/18/26/43/644182643.db2.gz ZXKIIBDBHFUXNF-VIFPVBQESA-N 1 0 232.291 0.313 10 0 BCAERO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)COCC1CC1 ZINC000193535117 644250594 /nfs/dbraw/zinc/25/05/94/644250594.db2.gz MELBVQFHAVXPQD-KOLCDFICSA-N 1 0 226.320 0.670 10 0 BCAERO C([C@@H]1COCCO1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000086930855 644292981 /nfs/dbraw/zinc/29/29/81/644292981.db2.gz VZRUQCMYHFHODB-VXGBXAGGSA-N 1 0 226.320 0.182 10 0 BCAERO C[C@](CCn1ccnc1)([NH2+]C1CC1)C(N)=O ZINC000084507773 644426494 /nfs/dbraw/zinc/42/64/94/644426494.db2.gz KMCARJRMKQZKAX-LLVKDONJSA-N 1 0 222.292 0.269 10 0 BCAERO C[C@H](O)CCNC(=O)CCCCC[NH3+] ZINC000084869887 644436424 /nfs/dbraw/zinc/43/64/24/644436424.db2.gz KDAKNLJHWKCNSA-VIFPVBQESA-N 1 0 202.298 0.393 10 0 BCAERO C[C@@H](NC(=O)C[C@@H]1CSCC[NH2+]1)C1CC1 ZINC000085613170 644443341 /nfs/dbraw/zinc/44/33/41/644443341.db2.gz BTNJBRSFTZHWGF-PSASIEDQSA-N 1 0 228.361 0.996 10 0 BCAERO C[C@@H]1COCCN1C(=O)C[C@@H]1CSCC[NH2+]1 ZINC000085613204 644443360 /nfs/dbraw/zinc/44/33/60/644443360.db2.gz PUALMCJHTWORCU-NXEZZACHSA-N 1 0 244.360 0.329 10 0 BCAERO C[NH2+]C[C@@H](C)C(=O)N(C)C[C@H]1CCCO1 ZINC000086068085 644456398 /nfs/dbraw/zinc/45/63/98/644456398.db2.gz MUVDJERFFTZDRG-NXEZZACHSA-N 1 0 214.309 0.479 10 0 BCAERO CCOCCNC(=O)[C@H]1CCC[NH2+][C@@H]1C ZINC000087122422 644477079 /nfs/dbraw/zinc/47/70/79/644477079.db2.gz SRICAESWAUKFLV-ZJUUUORDSA-N 1 0 214.309 0.527 10 0 BCAERO C[C@H]1[NH2+]CCC[C@H]1C(=O)N1CCOC[C@@H]1C ZINC000087122318 644477548 /nfs/dbraw/zinc/47/75/48/644477548.db2.gz JBQGFYPWCNNBOW-HBNTYKKESA-N 1 0 226.320 0.622 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1c1nc(-c2ncc[nH]2)no1 ZINC000087338774 644490491 /nfs/dbraw/zinc/49/04/91/644490491.db2.gz FASYLKGFBDNDKG-RNFRBKRXSA-N 1 0 219.248 0.783 10 0 BCAERO C[C@H]1COCCN1C(=O)c1ccc(C[NH3+])o1 ZINC000087046122 644514964 /nfs/dbraw/zinc/51/49/64/644514964.db2.gz AZVUVZAKVRKFTE-QMMMGPOBSA-N 1 0 224.260 0.599 10 0 BCAERO CC(=O)NCCNC(=O)[C@@H]1CCCC[C@H]1C[NH3+] ZINC000089388083 644548703 /nfs/dbraw/zinc/54/87/03/644548703.db2.gz UGAPQTJRHDFGFK-WDEREUQCSA-N 1 0 241.335 0.004 10 0 BCAERO CN1C(=O)CC[C@@H]([NH2+]CCc2ccccc2)C1=O ZINC000090025499 644575486 /nfs/dbraw/zinc/57/54/86/644575486.db2.gz MTUWXJRYTQLKBA-GFCCVEGCSA-N 1 0 246.310 0.966 10 0 BCAERO COC[C@@H](C)C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000247306950 644631538 /nfs/dbraw/zinc/63/15/38/644631538.db2.gz QBTRHGNGXBZWSK-BBBLOLIVSA-N 1 0 214.309 0.478 10 0 BCAERO CCN1CCO[C@@H](C[NH2+]C[C@@H]2CCCOC2)C1 ZINC000092052235 644646023 /nfs/dbraw/zinc/64/60/23/644646023.db2.gz IEUCTFUWXKCKTE-STQMWFEESA-N 1 0 242.363 0.723 10 0 BCAERO C[C@H]([NH3+])[C@H](C)C(=O)NC[C@H]1CCCC[C@H]1O ZINC000248504538 644682194 /nfs/dbraw/zinc/68/21/94/644682194.db2.gz VMWFVDHXLLDMIJ-UKKRHICBSA-N 1 0 228.336 0.637 10 0 BCAERO CC1(CNC(=O)[C@@H]2C[NH2+]CCOC2)CCC1 ZINC000643712728 644721688 /nfs/dbraw/zinc/72/16/88/644721688.db2.gz AFANLIHQKUWQAB-SNVBAGLBSA-N 1 0 226.320 0.529 10 0 BCAERO CC(C)OC[C@H](O)CN1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000250581330 644766372 /nfs/dbraw/zinc/76/63/72/644766372.db2.gz JMILMWISPAMRHD-YNEHKIRRSA-N 1 0 244.379 0.974 10 0 BCAERO [NH3+][C@@H]1CC[C@H](C(=O)NC[C@@H]2CCC[C@H]2O)C1 ZINC000250678819 644776094 /nfs/dbraw/zinc/77/60/94/644776094.db2.gz XKTXFBUJORBQOB-UKKRHICBSA-N 1 0 226.320 0.391 10 0 BCAERO CCCCC[C@H](C)[NH2+][C@@H]1CS(=O)(=O)C[C@H]1O ZINC000250844188 644782574 /nfs/dbraw/zinc/78/25/74/644782574.db2.gz ZPJNFZMMBUKRGH-HBNTYKKESA-N 1 0 249.376 0.703 10 0 BCAERO O[C@H](C[N@@H+]1CCN2CCCC[C@H]2C1)C1CC1 ZINC000250940049 644787710 /nfs/dbraw/zinc/78/77/10/644787710.db2.gz ZESLBAXDSJCKNY-QWHCGFSZSA-N 1 0 224.348 0.927 10 0 BCAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C[C@@H](O)C1CC1 ZINC000251605474 644812146 /nfs/dbraw/zinc/81/21/46/644812146.db2.gz DGKWKSDWQAVUFU-KGYLQXTDSA-N 1 0 224.348 0.926 10 0 BCAERO CC(C)CCCC[NH2+][C@@H]1CS(=O)(=O)C[C@H]1O ZINC000096867435 644844463 /nfs/dbraw/zinc/84/44/63/644844463.db2.gz LMNIRZPFJGBTFF-GHMZBOCLSA-N 1 0 249.376 0.560 10 0 BCAERO CCOC(=O)[C@@H]1CCCN(C(=[NH2+])NO)C1 ZINC000757120637 644863683 /nfs/dbraw/zinc/86/36/83/644863683.db2.gz CIFNCWDSKFWNOO-SSDOTTSWSA-N 1 0 215.253 0.175 10 0 BCAERO CCOC(=O)C1CCN(C(=[NH2+])NO)CC1 ZINC000757122068 644864007 /nfs/dbraw/zinc/86/40/07/644864007.db2.gz UGASCXVEOMUSSD-UHFFFAOYSA-N 1 0 215.253 0.175 10 0 BCAERO [NH3+][C@H](CC1CC1)C(=O)NC[C@@H]1CCC[C@H]1O ZINC000304328107 644892977 /nfs/dbraw/zinc/89/29/77/644892977.db2.gz HCUSJCRHPYNVEN-HBNTYKKESA-N 1 0 226.320 0.391 10 0 BCAERO [NH3+][C@H](CC1CC1)C(=O)N[C@H]1CCC[C@H](O)C1 ZINC000304386128 644901033 /nfs/dbraw/zinc/90/10/33/644901033.db2.gz RRYRCTMKGNRJGW-GARJFASQSA-N 1 0 226.320 0.534 10 0 BCAERO CO[C@H](C[NH3+])Cc1nc(CC2CCC2)no1 ZINC000304589243 644920578 /nfs/dbraw/zinc/92/05/78/644920578.db2.gz KSOHDVVRWPXCEW-VIFPVBQESA-N 1 0 225.292 0.928 10 0 BCAERO C[C@H](C(=O)N1CCC[C@@H]1C[NH3+])[C@@H]1CCCO1 ZINC000720538181 711685132 /nfs/dbraw/zinc/68/51/32/711685132.db2.gz CKXIDGCQDSYGIO-AXFHLTTASA-N 1 0 226.320 0.751 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1CC(=O)NCC[C@@H]1CCCO1 ZINC000722513528 711760312 /nfs/dbraw/zinc/76/03/12/711760312.db2.gz RSPXBRTYACKRTE-UTUOFQBUSA-N 1 0 240.347 0.917 10 0 BCAERO CC(C)C[C@@H](O)CNC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000226119617 711830197 /nfs/dbraw/zinc/83/01/97/711830197.db2.gz ZSZLSYBCIVGSHD-NWDGAFQWSA-N 1 0 242.363 0.899 10 0 BCAERO COc1cncc(C[NH2+]C2CC(CO)C2)c1 ZINC000700047285 711985015 /nfs/dbraw/zinc/98/50/15/711985015.db2.gz ITXBHZDRKZTJFV-UHFFFAOYSA-N 1 0 222.288 0.951 10 0 BCAERO CC(C)CC[C@@H](C)[NH2+][C@@H]1CS(=O)(=O)C[C@H]1O ZINC000700601872 712000576 /nfs/dbraw/zinc/00/05/76/712000576.db2.gz GMEVMKIUOTXZOB-GMTAPVOTSA-N 1 0 249.376 0.559 10 0 BCAERO CCCCOC[C@H](O)CN1C[C@@H]([NH3+])C[C@@H]1C ZINC000702632607 712057252 /nfs/dbraw/zinc/05/72/52/712057252.db2.gz JNVLXMOFFSDPPK-SDDRHHMPSA-N 1 0 230.352 0.586 10 0 BCAERO CO[C@@H]1C[C@H]([NH2+][C@H]2CCOC[C@H]2O)C12CCC2 ZINC000706755343 712153733 /nfs/dbraw/zinc/15/37/33/712153733.db2.gz UUAVNGPLSFVMFS-WHOHXGKFSA-N 1 0 241.331 0.683 10 0 BCAERO O[C@H]1COCC[C@@H]1[NH2+]Cc1ccc(Cl)cn1 ZINC000706932900 712161646 /nfs/dbraw/zinc/16/16/46/712161646.db2.gz BQBARSRYSXDIJB-QWRGUYRKSA-N 1 0 242.706 0.974 10 0 BCAERO COC(=O)/C(C)=C\C[N@@H+]1C[C@@H](C)[C@H](CO)C1 ZINC000708809250 712199564 /nfs/dbraw/zinc/19/95/64/712199564.db2.gz RJSIFDSLYYMJNY-BMMYIHMSSA-N 1 0 227.304 0.666 10 0 BCAERO Cc1cnc(CN2C[C@@H](C)[C@@H](C[NH3+])C2)cn1 ZINC000708863037 712201354 /nfs/dbraw/zinc/20/13/54/712201354.db2.gz SMUQBAASSMUHLO-KOLCDFICSA-N 1 0 220.320 0.812 10 0 BCAERO CO[C@@H]1CN(C(=O)[C@@H]2CC2(C)C)[C@@](C)(C[NH3+])C1 ZINC000708964432 712204415 /nfs/dbraw/zinc/20/44/15/712204415.db2.gz QWXZXWHTKVNSQQ-OUJBWJOFSA-N 1 0 240.347 0.997 10 0 BCAERO C[C@@H]1OCC[C@H]1NC(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000710945744 712267240 /nfs/dbraw/zinc/26/72/40/712267240.db2.gz WDWDVWODMKZFLM-XWLWVQCSSA-N 1 0 226.320 0.798 10 0 BCAERO C[C@H]1OCC[C@H]1NC(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000710945739 712267299 /nfs/dbraw/zinc/26/72/99/712267299.db2.gz WDWDVWODMKZFLM-GWOFURMSSA-N 1 0 226.320 0.798 10 0 BCAERO COC1(OC)CC[C@@H]1[NH2+][C@H]1CCO[C@@H]1C ZINC000710957112 712267965 /nfs/dbraw/zinc/26/79/65/712267965.db2.gz HLDHSTPKYXPEOO-UTLUCORTSA-N 1 0 215.293 0.905 10 0 BCAERO CCN1CC[C@@H]([NH2+][C@H]2CCC2(OC)OC)C1 ZINC000710987188 712272004 /nfs/dbraw/zinc/27/20/04/712272004.db2.gz HZZFQXSLUQJLND-MNOVXSKESA-N 1 0 228.336 0.822 10 0 BCAERO COC1(OC)CC[C@@H]1[NH2+][C@@H](C)[C@H](C)O ZINC000710987729 712272131 /nfs/dbraw/zinc/27/21/31/712272131.db2.gz JNXZLABLDBHLKQ-CIUDSAMLSA-N 1 0 203.282 0.497 10 0 BCAERO CC1(C)C[NH2+]C[C@H]1C(=O)N[C@H]1CCCOC1 ZINC000711216020 712289647 /nfs/dbraw/zinc/28/96/47/712289647.db2.gz QSRZVEHASOLINF-UWVGGRQHSA-N 1 0 226.320 0.527 10 0 BCAERO C[C@H](NC(=O)[C@@H]1C[NH2+]CC1(C)C)[C@H]1CCCO1 ZINC000711346797 712294989 /nfs/dbraw/zinc/29/49/89/712294989.db2.gz LYDYWAHSCQDWQO-GARJFASQSA-N 1 0 240.347 0.916 10 0 BCAERO [NH3+]C[C@@H]1C[C@H](F)CN1S(=O)(=O)CC1CC1 ZINC000378760733 712361278 /nfs/dbraw/zinc/36/12/78/712361278.db2.gz AXJAWMAXLZOYSO-IUCAKERBSA-N 1 0 236.312 0.097 10 0 BCAERO [NH3+]CCOCc1nc(CC2CCC2)no1 ZINC000379782560 712398980 /nfs/dbraw/zinc/39/89/80/712398980.db2.gz CXLCONAHIZZOSZ-UHFFFAOYSA-N 1 0 211.265 0.888 10 0 BCAERO CC1(C)CC[C@H](C[N@@H+]2C[C@H](O)C[C@@H]2CO)OC1 ZINC000713581915 712465336 /nfs/dbraw/zinc/46/53/36/712465336.db2.gz YBRPDPZHXVOASG-IJLUTSLNSA-N 1 0 243.347 0.619 10 0 BCAERO CCCN(CC1CC1)C(=O)[C@@H]1CO[C@@H](C[NH3+])C1 ZINC000713914430 712472720 /nfs/dbraw/zinc/47/27/20/712472720.db2.gz XRAXPLQUZJPQDV-NWDGAFQWSA-N 1 0 240.347 0.999 10 0 BCAERO [NH3+]C[C@@H]1C[C@@H](C(=O)NCCC(F)(F)F)CO1 ZINC000713902506 712472870 /nfs/dbraw/zinc/47/28/70/712472870.db2.gz PEXIJMAXIXCBPO-RQJHMYQMSA-N 1 0 240.225 0.419 10 0 BCAERO CCCCN(CC)C(=O)[C@@H]1CO[C@@H](C[NH3+])C1 ZINC000713869888 712473266 /nfs/dbraw/zinc/47/32/66/712473266.db2.gz GEMGIRRDRHWGEE-WDEREUQCSA-N 1 0 228.336 0.999 10 0 BCAERO CCS(=O)(=O)C[C@@H](C)[NH2+]C1CC(COC)C1 ZINC000713931414 712473538 /nfs/dbraw/zinc/47/35/38/712473538.db2.gz SOOCCMPNEUHZFI-KPPDAEKUSA-N 1 0 249.376 0.824 10 0 BCAERO COCC1CC(NC(=O)C[NH2+]CC2CC2)C1 ZINC000713936209 712474122 /nfs/dbraw/zinc/47/41/22/712474122.db2.gz VHOZHVFIEVOMPF-UHFFFAOYSA-N 1 0 226.320 0.527 10 0 BCAERO COCC1CC(NC(=O)[C@@H]2CC[NH2+][C@H]2C)C1 ZINC000713936049 712474170 /nfs/dbraw/zinc/47/41/70/712474170.db2.gz UBNOTCLLSLZRCG-IDWGSYCQSA-N 1 0 226.320 0.526 10 0 BCAERO COCC1CC(NC(=O)[C@H]([NH3+])CCSC)C1 ZINC000713944739 712474182 /nfs/dbraw/zinc/47/41/82/712474182.db2.gz GBJWMDWUOUDJSA-UDNWOFFPSA-N 1 0 246.376 0.608 10 0 BCAERO COCC1CC(NC(=O)CC(C)(C)[NH3+])C1 ZINC000713929958 712473794 /nfs/dbraw/zinc/47/37/94/712473794.db2.gz FJQOLXVQKMDDQB-UHFFFAOYSA-N 1 0 214.309 0.655 10 0 BCAERO C[NH2+]CCC(=O)NC1CC(COC)C1 ZINC000713931343 712473820 /nfs/dbraw/zinc/47/38/20/712473820.db2.gz ROYDJGIBKCVSLV-UHFFFAOYSA-N 1 0 200.282 0.137 10 0 BCAERO CC[C@@H]1[NH2+]CC[C@H]1C(=O)NC1CC(COC)C1 ZINC000713996757 712476845 /nfs/dbraw/zinc/47/68/45/712476845.db2.gz YLUGNCDFAXYUQR-HCWSGVFWSA-N 1 0 240.347 0.916 10 0 BCAERO COCC1CC([NH2+]C[C@H](O)CN(C)C2CC2)C1 ZINC000714008925 712477553 /nfs/dbraw/zinc/47/75/53/712477553.db2.gz USLWOHHYHWXZGE-XIVSLSHWSA-N 1 0 242.363 0.456 10 0 BCAERO COCC1CC(NC(=O)[C@H](C)[NH2+]C2CC2)C1 ZINC000713977908 712475499 /nfs/dbraw/zinc/47/54/99/712475499.db2.gz MZNGIJGSJXLZAP-SILCLGDVSA-N 1 0 226.320 0.668 10 0 BCAERO CCCn1cc(CN[C@@H]2CC[N@H+](CC)C2)nn1 ZINC000714447111 712489699 /nfs/dbraw/zinc/48/96/99/712489699.db2.gz MWJBZZCQNGISKJ-LLVKDONJSA-N 1 0 237.351 0.872 10 0 BCAERO C[C@@H]1[C@@H]([NH3+])CCN1S(=O)(=O)CCCC1CC1 ZINC000715051252 712505315 /nfs/dbraw/zinc/50/53/15/712505315.db2.gz UVIFCVRMGYSSJK-KOLCDFICSA-N 1 0 246.376 0.928 10 0 BCAERO C[C@H]1CN(C(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)C[C@H](C)O1 ZINC000715072685 712506079 /nfs/dbraw/zinc/50/60/79/712506079.db2.gz CMQMBSWBBXPSSQ-JBDRJPRFSA-N 1 0 248.273 0.462 10 0 BCAERO C[C@@H]([NH2+]C[C@H]1COC(C)(C)O1)[C@H](C)O ZINC000715130176 712506739 /nfs/dbraw/zinc/50/67/39/712506739.db2.gz WBHRCJUAHLTZBB-VGMNWLOBSA-N 1 0 203.282 0.497 10 0 BCAERO C[C@H]1OCC[C@@H]1[NH2+]C[C@H]1COC(C)(C)O1 ZINC000715080616 712507088 /nfs/dbraw/zinc/50/70/88/712507088.db2.gz GIHBVEZDLWHTQN-UTLUCORTSA-N 1 0 215.293 0.905 10 0 BCAERO COCCCNC(=O)[C@]12C[NH2+]C[C@H]1CCCC2 ZINC000715344039 712521269 /nfs/dbraw/zinc/52/12/69/712521269.db2.gz OWZXWQMSNNXGSK-DGCLKSJQSA-N 1 0 240.347 0.919 10 0 BCAERO C[C@@H]([NH2+]C[C@H](O)C(C)(C)C)c1cn(C)nn1 ZINC000715843411 712532825 /nfs/dbraw/zinc/53/28/25/712532825.db2.gz OEWWNMDNSPIJQS-SCZZXKLOSA-N 1 0 226.324 0.873 10 0 BCAERO COC1CC([NH2+][C@H](C)c2cn(C)nn2)C1 ZINC000715838954 712535339 /nfs/dbraw/zinc/53/53/39/712535339.db2.gz BUQQEMGSUJISRN-AFPNSQJFSA-N 1 0 210.281 0.643 10 0 BCAERO O=C(NCC[C@@H]1CCCS1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000715896265 712540501 /nfs/dbraw/zinc/54/05/01/712540501.db2.gz UOZQFIZJOYDHRV-KXUCPTDWSA-N 1 0 244.360 0.111 10 0 BCAERO C[C@H]1OCC[C@H]1[NH2+]C1CC(S(C)(=O)=O)C1 ZINC000716062848 712549177 /nfs/dbraw/zinc/54/91/77/712549177.db2.gz RGVXMRUCHXIFLA-SEZDTBSWSA-N 1 0 233.333 0.329 10 0 BCAERO CO[C@H]1C[C@@H]([NH2+]C2CC(C(N)=O)C2)C12CCC2 ZINC000716699653 712570130 /nfs/dbraw/zinc/57/01/30/712570130.db2.gz TUSXXQPAXWQHKS-LXKPXOPUSA-N 1 0 238.331 0.798 10 0 BCAERO CO[C@@H]1C[C@@H]([NH2+]C2CC(C(N)=O)C2)C12CCC2 ZINC000716699651 712570392 /nfs/dbraw/zinc/57/03/92/712570392.db2.gz TUSXXQPAXWQHKS-JPPWEJMLSA-N 1 0 238.331 0.798 10 0 BCAERO CO[C@H](C)[C@@H](C)[NH2+]C1CC(C(N)=O)C1 ZINC000716722746 712571337 /nfs/dbraw/zinc/57/13/37/712571337.db2.gz KRUZFXOXVJXZJV-PZYMCFGQSA-N 1 0 200.282 0.263 10 0 BCAERO NC(=O)C1CC([NH2+][C@H]2CCCOCC2)C1 ZINC000716742385 712571950 /nfs/dbraw/zinc/57/19/50/712571950.db2.gz XJXLMEOVKRLLPY-KYHHOPLUSA-N 1 0 212.293 0.409 10 0 BCAERO CC(C)CC[C@@H]([NH3+])C(=O)NC1CC(C(N)=O)C1 ZINC000716744274 712572023 /nfs/dbraw/zinc/57/20/23/712572023.db2.gz CEWWKYUPRXEFTC-UDNWOFFPSA-N 1 0 241.335 0.130 10 0 BCAERO C[C@H]1C[C@H]([NH2+]C2CC(C(N)=O)C2)CCO1 ZINC000716741554 712572184 /nfs/dbraw/zinc/57/21/84/712572184.db2.gz RYSYJYSISJDBSH-QGVKSAJWSA-N 1 0 212.293 0.407 10 0 BCAERO CN1CC[NH+](C[C@H]2CCC[C@H](O)C2)CC1 ZINC000379865098 712617914 /nfs/dbraw/zinc/61/79/14/712617914.db2.gz NTGSNDRGCHDVIK-RYUDHWBXSA-N 1 0 212.337 0.785 10 0 BCAERO CN1CC[NH+](C[C@H]2CCC[C@@H](O)C2)CC1 ZINC000379865097 712617916 /nfs/dbraw/zinc/61/79/16/712617916.db2.gz NTGSNDRGCHDVIK-NWDGAFQWSA-N 1 0 212.337 0.785 10 0 BCAERO CC1(C)CO[C@H](CNC(=O)C2CC([NH3+])C2)C1 ZINC000717588718 712661514 /nfs/dbraw/zinc/66/15/14/712661514.db2.gz NWCFFIPYFOHUSR-RTBKNWGFSA-N 1 0 226.320 0.655 10 0 BCAERO C[C@@H]1CO[C@@H](C(=O)N[C@H](C[NH3+])C(F)(F)F)C1 ZINC000718561777 712773389 /nfs/dbraw/zinc/77/33/89/712773389.db2.gz ZXGJKBBEBHLJGN-RRKCRQDMSA-N 1 0 240.225 0.417 10 0 BCAERO CC[C@H](CO)[NH2+]C[C@H](O)COC(C)(C)C ZINC000037851450 712775869 /nfs/dbraw/zinc/77/58/69/712775869.db2.gz IODAXNYSGFVWDJ-ZJUUUORDSA-N 1 0 219.325 0.523 10 0 BCAERO CCCCOC[C@H](O)C[NH2+][C@H]1CCN(C)[C@@H]1C ZINC000719608625 712816312 /nfs/dbraw/zinc/81/63/12/712816312.db2.gz GGXLZAYAXSCUOP-UPJWGTAASA-N 1 0 244.379 0.846 10 0 BCAERO C[NH2+]CCCCC(=O)N[C@H]1CCC[C@H](O)C1 ZINC000719715058 712823288 /nfs/dbraw/zinc/82/32/88/712823288.db2.gz NINWXWPVHVUHSL-QWRGUYRKSA-N 1 0 228.336 0.796 10 0 BCAERO C[C@H]1NC(=O)CC[C@@H]1[NH2+]CCc1ccns1 ZINC000719875019 712825145 /nfs/dbraw/zinc/82/51/45/712825145.db2.gz WGGWAQKMTUVGKT-SCZZXKLOSA-N 1 0 239.344 0.942 10 0 BCAERO CC[C@@H](C)[C@@H](C[NH2+]CCn1cncn1)OC ZINC000381269981 710614782 /nfs/dbraw/zinc/61/47/82/710614782.db2.gz HMIMJNQCKDXOCC-GHMZBOCLSA-N 1 0 226.324 0.929 10 0 BCAERO C[C@@H]1CN(C(=O)CC(C)(C)C[NH3+])C[C@@H](C)O1 ZINC000721213595 712899127 /nfs/dbraw/zinc/89/91/27/712899127.db2.gz GUVUZBHYFWZIPO-NXEZZACHSA-N 1 0 228.336 0.997 10 0 BCAERO CO[C@H]1C[C@@H](C[NH2+][C@@H]2CCC(=O)N[C@H]2C)C1 ZINC000721898924 710688543 /nfs/dbraw/zinc/68/85/43/710688543.db2.gz PQMRKVVKZVOFKL-UKKRHICBSA-N 1 0 226.320 0.668 10 0 BCAERO Cc1nnc(N[C@H]2C[NH2+]CC2(C)C)nc1C ZINC000721933964 710692560 /nfs/dbraw/zinc/69/25/60/710692560.db2.gz MOHGXWYRYIODAQ-VIFPVBQESA-N 1 0 221.308 0.898 10 0 BCAERO CO[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CC(=O)N(C)C1 ZINC000722742427 710719364 /nfs/dbraw/zinc/71/93/64/710719364.db2.gz QUCROVHVOPRJGH-GMTAPVOTSA-N 1 0 226.320 0.622 10 0 BCAERO Cc1cn(C)nc1CN1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000723955447 710731590 /nfs/dbraw/zinc/73/15/90/710731590.db2.gz SGADPZKMDNMAHV-SCZZXKLOSA-N 1 0 208.309 0.508 10 0 BCAERO CN(Cc1c[nH]cn1)C[C@H]1CC[N@H+](C)C1 ZINC000724773358 710746154 /nfs/dbraw/zinc/74/61/54/710746154.db2.gz LJYGSZUMPLXBDY-JTQLQIEISA-N 1 0 208.309 0.793 10 0 BCAERO C[C@@H]1CN(CCO[C@@H]2CCOC2)C[C@@H]1[NH3+] ZINC000724916714 710747824 /nfs/dbraw/zinc/74/78/24/710747824.db2.gz VHIJQJVCWDQCKJ-MXWKQRLJSA-N 1 0 214.309 0.071 10 0 BCAERO C[C@@H]1CN(C(=O)n2ccnc2)C[C@@]1(C)C[NH3+] ZINC000380560058 712901614 /nfs/dbraw/zinc/90/16/14/712901614.db2.gz LVCCFEMNBWTXES-MWLCHTKSSA-N 1 0 222.292 0.768 10 0 BCAERO CC(=O)[C@H]1CCC[N@H+](CCn2cncn2)C1 ZINC000380847232 710591976 /nfs/dbraw/zinc/59/19/76/710591976.db2.gz WSXBCVNAJQOREW-NSHDSACASA-N 1 0 222.292 0.579 10 0 BCAERO COC[C@H](C[N@@H+]1CCO[C@@H](CO)C1)C(C)C ZINC000721972237 710696009 /nfs/dbraw/zinc/69/60/09/710696009.db2.gz IGSIPPYOPWCEAR-NWDGAFQWSA-N 1 0 231.336 0.598 10 0 BCAERO C[C@@H]1C[C@H](Cn2cc(C[NH3+])nn2)C[C@H](C)O1 ZINC000724536189 710742554 /nfs/dbraw/zinc/74/25/54/710742554.db2.gz YHEYQKCIBGFDQS-MYJAWHEDSA-N 1 0 224.308 0.940 10 0 BCAERO Cc1cc(N[C@H]2CCCNC2=O)nc(N)[nH+]1 ZINC000049491285 711447160 /nfs/dbraw/zinc/44/71/60/711447160.db2.gz NDJDVHNXUSNOQE-ZETCQYMHSA-N 1 0 221.264 0.058 10 0 BCAERO CC[C@@H]1COC[C@@H]1[NH2+]C[C@@H]1CC(=O)N(C)C1 ZINC000722714080 711466278 /nfs/dbraw/zinc/46/62/78/711466278.db2.gz VZIZLYPDLROECI-AXFHLTTASA-N 1 0 226.320 0.479 10 0 BCAERO CN(C[C@H]1CCCO1)C(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000715072644 711474541 /nfs/dbraw/zinc/47/45/41/711474541.db2.gz CFLIJXHYLVCWEO-VGMNWLOBSA-N 1 0 248.273 0.464 10 0 BCAERO Cc1cc(=O)[nH]c(C[N@@H+]2CCC[C@]2(C)CO)n1 ZINC000723039233 711496920 /nfs/dbraw/zinc/49/69/20/711496920.db2.gz LZJFUECGDKSEAK-GFCCVEGCSA-N 1 0 237.303 0.837 10 0 BCAERO C[NH2+][C@@H](C)CNC(=O)c1cccn2nccc12 ZINC000723491754 711513123 /nfs/dbraw/zinc/51/31/23/711513123.db2.gz QJFQPHGOWMDMIT-VIFPVBQESA-N 1 0 232.287 0.672 10 0 BCAERO C[C@H]1COCCN1C[C@@H]([NH3+])CC(F)F ZINC000308448978 711528881 /nfs/dbraw/zinc/52/88/81/711528881.db2.gz AMMVARDWBYVNFE-YUMQZZPRSA-N 1 0 208.252 0.690 10 0 BCAERO Cc1cn(C)nc1CN1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000723962457 711548261 /nfs/dbraw/zinc/54/82/61/711548261.db2.gz HVVSRFYOVMPUOZ-SDDRHHMPSA-N 1 0 234.347 0.898 10 0 BCAERO Cc1cn(C)nc1CN1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000723962462 711548357 /nfs/dbraw/zinc/54/83/57/711548357.db2.gz HVVSRFYOVMPUOZ-SRVKXCTJSA-N 1 0 234.347 0.898 10 0 BCAERO Cc1ccc(C[NH2+]C2CC(C(N)=O)C2)o1 ZINC000716729861 711580226 /nfs/dbraw/zinc/58/02/26/711580226.db2.gz CFRRXZDOFYHDNO-UHFFFAOYSA-N 1 0 208.261 0.942 10 0 BCAERO Cc1ncsc1C[NH2+]C1CC(C(N)=O)C1 ZINC000716744818 711580543 /nfs/dbraw/zinc/58/05/43/711580543.db2.gz IGXVWFPSGNYTLK-UHFFFAOYSA-N 1 0 225.317 0.805 10 0 BCAERO C[C@@H]1CC(C[NH2+]CCS(C)(=O)=O)C[C@@H](C)O1 ZINC000724472390 711583075 /nfs/dbraw/zinc/58/30/75/711583075.db2.gz DDHMPWCMSDZONK-NXEZZACHSA-N 1 0 249.376 0.824 10 0 BCAERO C[C@@H]1CN(C[C@@H]2C[C@@H]3COC[C@H]3O2)C[C@@H]1[NH3+] ZINC000724560909 711590817 /nfs/dbraw/zinc/59/08/17/711590817.db2.gz XREIHTGETVBIFM-LDMBFOFVSA-N 1 0 226.320 0.069 10 0 BCAERO C[C@@H]1CN(C[C@@H]2C[C@@H]3COC[C@@H]3O2)C[C@@H]1[NH3+] ZINC000724560908 711590837 /nfs/dbraw/zinc/59/08/37/711590837.db2.gz XREIHTGETVBIFM-GCHJQGSQSA-N 1 0 226.320 0.069 10 0 BCAERO Cc1nc(C)c(C[NH2+][C@@H]2CCC(=O)N[C@@H]2C)[nH]1 ZINC000724779358 711613009 /nfs/dbraw/zinc/61/30/09/711613009.db2.gz FLWHCTFTWQPPHP-GMSGAONNSA-N 1 0 236.319 0.783 10 0 BCAERO C[C@@H]1[C@@H](O)CCC[N@@H+]1CCO[C@H]1CCOC1 ZINC000724989318 711641088 /nfs/dbraw/zinc/64/10/88/711641088.db2.gz IONYMSLQPQELFH-WOPDTQHZSA-N 1 0 229.320 0.637 10 0 BCAERO CC[N@@H+]1CCC[C@H](NC(=S)NCCOC)C1 ZINC000136152457 711687782 /nfs/dbraw/zinc/68/77/82/711687782.db2.gz JTFJBNSCYNWPQO-JTQLQIEISA-N 1 0 245.392 0.581 10 0 BCAERO CCCn1cc(NC(=O)[C@@H](C)[NH2+]C)cn1 ZINC000722372460 711751235 /nfs/dbraw/zinc/75/12/35/711751235.db2.gz YFTKIENIWWWLHD-MRVPVSSYSA-N 1 0 210.281 0.840 10 0 BCAERO Cn1cnc(-c2nc([C@H]3CCC[NH2+]C3)no2)c1 ZINC000225423044 711756561 /nfs/dbraw/zinc/75/65/61/711756561.db2.gz WPNCMOMKPLNIOF-QMMMGPOBSA-N 1 0 233.275 0.937 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1CC(=O)N[C@@H]1CCC[C@H](O)C1 ZINC000722510247 711760268 /nfs/dbraw/zinc/76/02/68/711760268.db2.gz DEXMQMFADLUBHU-KKOKHZNYSA-N 1 0 240.347 0.652 10 0 BCAERO Nc1cnn2c1NCC[C@H]2[C@H]1CCC[NH2+]C1 ZINC000236376677 711761807 /nfs/dbraw/zinc/76/18/07/711761807.db2.gz FCTZTTDIEWRIGR-WPRPVWTQSA-N 1 0 221.308 0.822 10 0 BCAERO Cc1nc(N2CC[N@@H+]3CCC[C@H]3C2)cc(=O)[nH]1 ZINC000253112768 711764457 /nfs/dbraw/zinc/76/44/57/711764457.db2.gz YLJAYNFSGDDZIX-JTQLQIEISA-N 1 0 234.303 0.775 10 0 BCAERO CC1(C)C[NH2+]C[C@@H]1Nc1ccc2nccnc2n1 ZINC000721857334 711791699 /nfs/dbraw/zinc/79/16/99/711791699.db2.gz MIMCPBROOSKCDO-JTQLQIEISA-N 1 0 243.314 0.808 10 0 BCAERO CCn1ccnc(N[C@@H]2C[NH2+]CC2(C)C)c1=O ZINC000721865343 711792128 /nfs/dbraw/zinc/79/21/28/711792128.db2.gz JRGIPQBIFQJVNA-SECBINFHSA-N 1 0 236.319 0.673 10 0 BCAERO COC[C@H](C)[NH2+]CCC1OCCCO1 ZINC000379590126 711804174 /nfs/dbraw/zinc/80/41/74/711804174.db2.gz WBMDCDPXCUVMPJ-VIFPVBQESA-N 1 0 203.282 0.764 10 0 BCAERO CC(C)N(C(=O)CN1C[C@H]([NH3+])[C@@H](C)C1)C(C)C ZINC000232641277 711841048 /nfs/dbraw/zinc/84/10/48/711841048.db2.gz RJGFMMLONILRMW-RYUDHWBXSA-N 1 0 241.379 0.911 10 0 BCAERO CO[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCOC[C@@H]1O ZINC000706957520 711930441 /nfs/dbraw/zinc/93/04/41/711930441.db2.gz LIBXMZXUKNMYEK-XWLWVQCSSA-N 1 0 215.293 0.293 10 0 BCAERO COC(=O)c1ccc(N2CCC[C@@H]2C[NH3+])nn1 ZINC000132032483 711953625 /nfs/dbraw/zinc/95/36/25/711953625.db2.gz WZLAUSCYTUWRIL-MRVPVSSYSA-N 1 0 236.275 0.191 10 0 BCAERO COC(=O)c1cncc(N2CCC[C@@H]2C[NH3+])n1 ZINC000132009298 711953646 /nfs/dbraw/zinc/95/36/46/711953646.db2.gz WNOMMWZUUBODAW-MRVPVSSYSA-N 1 0 236.275 0.191 10 0 BCAERO C1CC1c1noc([C@@H]2C[NH2+]CCOC2)n1 ZINC000700375574 711990308 /nfs/dbraw/zinc/99/03/08/711990308.db2.gz BVTYXSNEVMNVPL-MRVPVSSYSA-N 1 0 209.249 0.650 10 0 BCAERO Cc1cc(=O)[nH]c(CN2C[C@@H]3C[NH2+]C[C@H]3C2)n1 ZINC000700442492 711993091 /nfs/dbraw/zinc/99/30/91/711993091.db2.gz JOABOEQRNSBXPP-UWVGGRQHSA-N 1 0 234.303 0.142 10 0 BCAERO CSCC[C@@H](C)NC(=O)[C@H]1C[NH2+]CCOC1 ZINC000700497689 711995461 /nfs/dbraw/zinc/99/54/61/711995461.db2.gz VQHADXXWOYATGK-ZJUUUORDSA-N 1 0 246.376 0.480 10 0 BCAERO C[C@H]([NH3+])CNC(=O)[C@H]1Cc2ccccc2CO1 ZINC000700659215 712002135 /nfs/dbraw/zinc/00/21/35/712002135.db2.gz BUISRHQFAGMUIW-JOYOIKCWSA-N 1 0 234.299 0.591 10 0 BCAERO C[NH2+][C@H](C)CNC(=O)Cc1csc(C)n1 ZINC000700772024 712006477 /nfs/dbraw/zinc/00/64/77/712006477.db2.gz LXOCMAYCMAQZCN-SSDOTTSWSA-N 1 0 227.333 0.718 10 0 BCAERO CN(CC[N@H+](C)CCO)Cc1ccoc1 ZINC000701011772 712011712 /nfs/dbraw/zinc/01/17/12/712011712.db2.gz COCICMMQQBVMPV-UHFFFAOYSA-N 1 0 212.293 0.636 10 0 BCAERO OC[C@H]1C[C@@H](O)C[N@@H+]1CCOC1CCCCC1 ZINC000701307634 712019459 /nfs/dbraw/zinc/01/94/59/712019459.db2.gz RERMLIMPGLORTB-VXGBXAGGSA-N 1 0 243.347 0.763 10 0 BCAERO Cc1cc(OCC(=O)N2CC[C@H]([NH3+])[C@H]2C)no1 ZINC000701390651 712022348 /nfs/dbraw/zinc/02/23/48/712022348.db2.gz JGVIBOLZMMWQHY-BDAKNGLRSA-N 1 0 239.275 0.310 10 0 BCAERO C[NH2+]C[C@@H](C)Nc1ncnc2c1CCC2 ZINC000701881144 712031386 /nfs/dbraw/zinc/03/13/86/712031386.db2.gz XWHCVHKFRFDYBZ-MRVPVSSYSA-N 1 0 206.293 0.985 10 0 BCAERO C[C@H](NC(=O)[C@@H](N)C[NH+](C)C)c1cccs1 ZINC000702415415 712051880 /nfs/dbraw/zinc/05/18/80/712051880.db2.gz UVGJBLBWYHYBMW-IUCAKERBSA-N 1 0 241.360 0.814 10 0 BCAERO CCCCOC[C@H](O)CN1C[C@@H]([NH3+])C[C@H]1C ZINC000702632604 712056948 /nfs/dbraw/zinc/05/69/48/712056948.db2.gz JNVLXMOFFSDPPK-GRYCIOLGSA-N 1 0 230.352 0.586 10 0 BCAERO CO[C@@H]1C[NH2+][C@@](C)(c2nc(N(C)C)no2)C1 ZINC000702737896 712060835 /nfs/dbraw/zinc/06/08/35/712060835.db2.gz QZPSKLZTLSNFEQ-OIBJUYFYSA-N 1 0 226.280 0.359 10 0 BCAERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)NCc1ncccn1 ZINC000705420078 712131411 /nfs/dbraw/zinc/13/14/11/712131411.db2.gz PAIQWAQDWKXRKU-VHSXEESVSA-N 1 0 234.303 0.481 10 0 BCAERO Nc1cc[nH+]cc1-c1cn2c(n1)COCC2 ZINC000706221103 712140898 /nfs/dbraw/zinc/14/08/98/712140898.db2.gz IYXOKOJAFRLFQK-UHFFFAOYSA-N 1 0 216.244 0.888 10 0 BCAERO C[C@@H]1[C@@H]([NH2+][C@@H]2CCOC[C@@H]2O)CO[C@H]1C ZINC000706791846 712155943 /nfs/dbraw/zinc/15/59/43/712155943.db2.gz HUDLKZWHIXMKDV-HHKYUTTNSA-N 1 0 215.293 0.149 10 0 BCAERO CSC1CC([NH2+]C[C@@H]2CN(C)CCO2)C1 ZINC000706903247 712160103 /nfs/dbraw/zinc/16/01/03/712160103.db2.gz VXUVEUCVRSGKSQ-HSOILSAZSA-N 1 0 230.377 0.801 10 0 BCAERO O[C@H](C[NH2+][C@@H]1CCOC[C@@H]1O)c1ccccc1 ZINC000706968448 712160409 /nfs/dbraw/zinc/16/04/09/712160409.db2.gz JUKJHIJTAWDMKT-UPJWGTAASA-N 1 0 237.299 0.459 10 0 BCAERO CC(C)(C)[NH2+]CCC(=O)N[C@@H]1CCOC[C@@H]1O ZINC000706990588 712164267 /nfs/dbraw/zinc/16/42/67/712164267.db2.gz BMONXAQNKLFQFD-ZJUUUORDSA-N 1 0 244.335 0.031 10 0 BCAERO COC1CCC(NC(=O)C2CC([NH3+])C2)CC1 ZINC000707390247 712170259 /nfs/dbraw/zinc/17/02/59/712170259.db2.gz NBJHROQIIZJXRA-UHFFFAOYSA-N 1 0 226.320 0.798 10 0 BCAERO CCC1(O)CCN(C(=O)C2CC([NH3+])C2)CC1 ZINC000707449074 712171152 /nfs/dbraw/zinc/17/11/52/712171152.db2.gz XNHFAXKFYIAHNW-UHFFFAOYSA-N 1 0 226.320 0.487 10 0 BCAERO C[NH2+][C@@H](C)C(=O)N1[C@@H](C)COC[C@@H]1C ZINC000708387347 712191779 /nfs/dbraw/zinc/19/17/79/712191779.db2.gz JLSBWYIYTVDBOJ-CIUDSAMLSA-N 1 0 200.282 0.230 10 0 BCAERO Cc1nccnc1C[N@H+]1C[C@@H](C)[C@H](CO)C1 ZINC000708685624 712196843 /nfs/dbraw/zinc/19/68/43/712196843.db2.gz DCKWGJQYIFAIDB-KOLCDFICSA-N 1 0 221.304 0.845 10 0 BCAERO CO[C@]1(C[N@@H+]2C[C@@H](C)[C@H](CO)C2)CCOC1 ZINC000708686687 712196925 /nfs/dbraw/zinc/19/69/25/712196925.db2.gz LFABTWPNYJMNJB-WOPDTQHZSA-N 1 0 229.320 0.352 10 0 BCAERO COC[C@@H](C[N@@H+]1C[C@@H](C)[C@H](CO)C1)OC ZINC000708697053 712197720 /nfs/dbraw/zinc/19/77/20/712197720.db2.gz ANSSINWHBXBNPQ-OUAUKWLOSA-N 1 0 217.309 0.208 10 0 BCAERO C[C@H]1CN(C(=O)c2cccnc2F)C[C@@H]1C[NH3+] ZINC000708841379 712200452 /nfs/dbraw/zinc/20/04/52/712200452.db2.gz RAYSZUPDQZJRBW-IUCAKERBSA-N 1 0 237.278 0.888 10 0 BCAERO C[C@H]1CN(C(=O)c2cccc(F)n2)C[C@@H]1C[NH3+] ZINC000708840814 712200679 /nfs/dbraw/zinc/20/06/79/712200679.db2.gz LSZUBKXRWGNBJN-IUCAKERBSA-N 1 0 237.278 0.888 10 0 BCAERO C[C@@H]1CN(C(=O)c2cccnc2F)C[C@@H]1C[NH3+] ZINC000708841377 712200763 /nfs/dbraw/zinc/20/07/63/712200763.db2.gz RAYSZUPDQZJRBW-BDAKNGLRSA-N 1 0 237.278 0.888 10 0 BCAERO COC1(C(=O)N2C[C@H](C)[C@@H](C[NH3+])C2)CCCC1 ZINC000708853508 712201140 /nfs/dbraw/zinc/20/11/40/712201140.db2.gz HXGPDKNCPXIMAY-QWRGUYRKSA-N 1 0 240.347 0.999 10 0 BCAERO Cc1cnc(CN2C[C@H](C)[C@@H](C[NH3+])C2)nc1 ZINC000708878118 712202209 /nfs/dbraw/zinc/20/22/09/712202209.db2.gz UDFRWOXKWOVYNR-QWRGUYRKSA-N 1 0 220.320 0.812 10 0 BCAERO C[C@@H]1CN(C(=O)/C=C\c2cnn(C)c2)C[C@H]1C[NH3+] ZINC000708893810 712202609 /nfs/dbraw/zinc/20/26/09/712202609.db2.gz NVBNSOZNOIYADN-YZKQYGISSA-N 1 0 248.330 0.487 10 0 BCAERO CCCCOC(=O)CN1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000708891111 712202627 /nfs/dbraw/zinc/20/26/27/712202627.db2.gz RFMNNDPAKUKNGI-MNOVXSKESA-N 1 0 228.336 0.856 10 0 BCAERO CCCCOC(=O)CN1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000708891112 712202711 /nfs/dbraw/zinc/20/27/11/712202711.db2.gz RFMNNDPAKUKNGI-QWRGUYRKSA-N 1 0 228.336 0.856 10 0 BCAERO CC[C@H](O)CN1C[C@@H](OC)C[C@]1(C)C[NH3+] ZINC000708919374 712203181 /nfs/dbraw/zinc/20/31/81/712203181.db2.gz TWNSELITXRNOEA-GARJFASQSA-N 1 0 216.325 0.195 10 0 BCAERO CC[C@H](O)CN1C[C@H](OC)C[C@]1(C)C[NH3+] ZINC000708919375 712203587 /nfs/dbraw/zinc/20/35/87/712203587.db2.gz TWNSELITXRNOEA-HBNTYKKESA-N 1 0 216.325 0.195 10 0 BCAERO CC(=O)[C@H]1CCC[N@H+](C[C@@H]2COCCO2)C1 ZINC000708564089 712213330 /nfs/dbraw/zinc/21/33/30/712213330.db2.gz AVRUJSVKCIQTAY-NWDGAFQWSA-N 1 0 227.304 0.703 10 0 BCAERO CC(=O)[C@H]1CCC[N@H+](C[C@H]2COCCO2)C1 ZINC000708564090 712213566 /nfs/dbraw/zinc/21/35/66/712213566.db2.gz AVRUJSVKCIQTAY-RYUDHWBXSA-N 1 0 227.304 0.703 10 0 BCAERO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(c1ccc3nncn3n1)C2 ZINC000709822705 712228653 /nfs/dbraw/zinc/22/86/53/712228653.db2.gz ILPBCCZCDPKJAB-AEJSXWLSSA-N 1 0 244.302 0.440 10 0 BCAERO CCOC(=O)CCCCC[N@H+](C)[C@H](C)C(N)=O ZINC000711072943 712279095 /nfs/dbraw/zinc/27/90/95/712279095.db2.gz QUCCMDHLJLRFAB-SNVBAGLBSA-N 1 0 244.335 0.916 10 0 BCAERO CN(C[C@H]1CCCO1)C(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000711347358 712295106 /nfs/dbraw/zinc/29/51/06/712295106.db2.gz UZMHXUSLFNJOOF-MNOVXSKESA-N 1 0 240.347 0.869 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)N[C@@]23CCC[C@H]2[NH2+]CC3)O1 ZINC000711618113 712312934 /nfs/dbraw/zinc/31/29/34/712312934.db2.gz SNIMRSJJVUHVOY-PRULPYPASA-N 1 0 238.331 0.955 10 0 BCAERO C[NH2+][C@H](C)C(=O)N[C@H](C1CCC1)[C@@H]1CCOC1 ZINC000711854023 712337060 /nfs/dbraw/zinc/33/70/60/712337060.db2.gz CQHSIMXYTXZQCN-YUSALJHKSA-N 1 0 240.347 0.916 10 0 BCAERO COC(C)(C)[C@H](C)[NH2+]C[C@H]1CNC(=O)O1 ZINC000378770785 712360299 /nfs/dbraw/zinc/36/02/99/712360299.db2.gz FTDWGNDKLOCCMX-YUMQZZPRSA-N 1 0 216.281 0.498 10 0 BCAERO O=CN1CCC([NH2+][C@@H]2CCCC[C@@H]2O)CC1 ZINC000379464871 712384838 /nfs/dbraw/zinc/38/48/38/712384838.db2.gz WKWCPIHXASAFHS-NEPJUHHUSA-N 1 0 226.320 0.500 10 0 BCAERO Cn1ncc(C[NH2+]CC2CC(O)C2)c1Cl ZINC000712496807 712431594 /nfs/dbraw/zinc/43/15/94/712431594.db2.gz SHGWHMPYVOYDDQ-UHFFFAOYSA-N 1 0 229.711 0.934 10 0 BCAERO [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)NC[C@H]2CCC[C@H]2O)C1 ZINC000713227011 712455658 /nfs/dbraw/zinc/45/56/58/712455658.db2.gz STDMMBPNEMDESC-UYNYGYNWSA-N 1 0 238.331 0.391 10 0 BCAERO C[C@H]1COC[C@H](C)N1C(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000713405181 712458938 /nfs/dbraw/zinc/45/89/38/712458938.db2.gz ZJTBHNIHMJEBDY-JPYZYGQNSA-N 1 0 238.331 0.750 10 0 BCAERO Cc1nocc1C[NH2+]C1CC(C(N)=O)C1 ZINC000713484903 712462185 /nfs/dbraw/zinc/46/21/85/712462185.db2.gz FQHRZRFWCUGOJC-UHFFFAOYSA-N 1 0 209.249 0.337 10 0 BCAERO C=C/C=C/CC[N@H+]1CCC[C@@](O)(C(N)=O)C1 ZINC000713638699 712467887 /nfs/dbraw/zinc/46/78/87/712467887.db2.gz AUXLEYHJFBFWKH-PCAWENJQSA-N 1 0 224.304 0.431 10 0 BCAERO [NH3+]C[C@@H]1C[C@H](C(=O)Nc2nccs2)CO1 ZINC000713773658 712472272 /nfs/dbraw/zinc/47/22/72/712472272.db2.gz NDYGXLKCERYXMU-BQBZGAKWSA-N 1 0 227.289 0.445 10 0 BCAERO [NH3+]C[C@@H]1C[C@@H](C(=O)Nc2nccs2)CO1 ZINC000713887784 712472379 /nfs/dbraw/zinc/47/23/79/712472379.db2.gz NDYGXLKCERYXMU-RQJHMYQMSA-N 1 0 227.289 0.445 10 0 BCAERO [NH3+]C[C@@H]1C[C@@H](C(=O)NC2CCCC2)CO1 ZINC000713876514 712472380 /nfs/dbraw/zinc/47/23/80/712472380.db2.gz YQSJVONHBWZDTE-SCZZXKLOSA-N 1 0 212.293 0.409 10 0 BCAERO CC1CCN(C(=O)[C@H]2CO[C@@H](C[NH3+])C2)CC1 ZINC000713826245 712473038 /nfs/dbraw/zinc/47/30/38/712473038.db2.gz WIRJVGLTHDMYOE-GHMZBOCLSA-N 1 0 226.320 0.609 10 0 BCAERO [NH3+]C[C@@H]1C[C@H](C(=O)NCCC(F)(F)F)CO1 ZINC000713853666 712473207 /nfs/dbraw/zinc/47/32/07/712473207.db2.gz PEXIJMAXIXCBPO-BQBZGAKWSA-N 1 0 240.225 0.419 10 0 BCAERO CC(C)[C@H](C)NC(=O)[C@@H]1CO[C@@H](C[NH3+])C1 ZINC000713870830 712473287 /nfs/dbraw/zinc/47/32/87/712473287.db2.gz IPUVQASWZZEGKE-LPEHRKFASA-N 1 0 214.309 0.511 10 0 BCAERO CCCCCNC(=O)[C@@H]1CO[C@H](C[NH3+])C1 ZINC000713873309 712473465 /nfs/dbraw/zinc/47/34/65/712473465.db2.gz QEKATNZSNZPJDL-UWVGGRQHSA-N 1 0 214.309 0.657 10 0 BCAERO COCC1CC(NC(=O)[C@H]2CCC[NH2+][C@@H]2C)C1 ZINC000713976989 712475348 /nfs/dbraw/zinc/47/53/48/712475348.db2.gz IUWHZLVWRZDPNJ-YYJSSNLHSA-N 1 0 240.347 0.916 10 0 BCAERO COCC1CC(NC(=O)[C@@H](C)[NH2+]C2CC2)C1 ZINC000713977906 712475427 /nfs/dbraw/zinc/47/54/27/712475427.db2.gz MZNGIJGSJXLZAP-FKTRJACZSA-N 1 0 226.320 0.668 10 0 BCAERO COCC1CC(NC(=O)C2CC([NH3+])C2)C1 ZINC000713986079 712476474 /nfs/dbraw/zinc/47/64/74/712476474.db2.gz RPIZSTXLQDARRX-UHFFFAOYSA-N 1 0 212.293 0.265 10 0 BCAERO CCC1([NH3+])CCN(c2ccc(C(N)=O)nn2)CC1 ZINC000714753076 712497286 /nfs/dbraw/zinc/49/72/86/712497286.db2.gz RUQJPNLVXBTXQV-UHFFFAOYSA-N 1 0 249.318 0.283 10 0 BCAERO [NH3+][C@H]1C[C@@H](CNc2ccc3nccnc3n2)C1 ZINC000715068879 712505788 /nfs/dbraw/zinc/50/57/88/712505788.db2.gz ZTPUVUPYRUKJML-DTORHVGOSA-N 1 0 229.287 0.548 10 0 BCAERO C[C@@H](NC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F)[C@H]1CCCO1 ZINC000715072850 712505979 /nfs/dbraw/zinc/50/59/79/712505979.db2.gz DJKNYEMFXFSVMA-XAVMHZPKSA-N 1 0 248.273 0.510 10 0 BCAERO COc1cc(OC)nc(NC[C@H]2C[C@@H]([NH3+])C2)n1 ZINC000715080883 712507239 /nfs/dbraw/zinc/50/72/39/712507239.db2.gz GZPOTVDWJDBERD-OCAPTIKFSA-N 1 0 238.291 0.643 10 0 BCAERO Cc1cc(NC[C@H]2C[C@H]([NH3+])C2)n2ncnc2n1 ZINC000715086734 712507600 /nfs/dbraw/zinc/50/76/00/712507600.db2.gz XLQHHOSIDAKADQ-KYZUINATSA-N 1 0 232.291 0.582 10 0 BCAERO Cc1noc(C)c1C(=O)NCC1CC([NH3+])C1 ZINC000715084802 712507633 /nfs/dbraw/zinc/50/76/33/712507633.db2.gz BEQUBWABPHPUCM-UHFFFAOYSA-N 1 0 223.276 0.759 10 0 BCAERO CC(=O)N[C@@H](C(=O)NCC1CC([NH3+])C1)C(C)C ZINC000715084816 712507640 /nfs/dbraw/zinc/50/76/40/712507640.db2.gz BUMKITKKHMYEAQ-VQXHTEKXSA-N 1 0 241.335 0.001 10 0 BCAERO [NH3+]C1CC(CNC(=O)CCc2ccccn2)C1 ZINC000715097186 712508465 /nfs/dbraw/zinc/50/84/65/712508465.db2.gz QJYYFCKWQGSUSQ-UHFFFAOYSA-N 1 0 233.315 0.868 10 0 BCAERO [NH3+]C1CC(CNC(=O)[C@H](O)c2ccccc2)C1 ZINC000715098075 712508917 /nfs/dbraw/zinc/50/89/17/712508917.db2.gz YASTUSINOGMAAN-QEWOUOOISA-N 1 0 234.299 0.574 10 0 BCAERO CC(=O)c1cc(C(=O)NCC2CC([NH3+])C2)n(C)c1 ZINC000715113217 712509954 /nfs/dbraw/zinc/50/99/54/712509954.db2.gz CRQLODRYCSUHKJ-UHFFFAOYSA-N 1 0 249.314 0.695 10 0 BCAERO [NH3+]C1CC(CNC(=O)/C=C\c2cccnc2)C1 ZINC000715125462 712511115 /nfs/dbraw/zinc/51/11/15/712511115.db2.gz LHEIBPGNEGMFSM-ARJAWSKDSA-N 1 0 231.299 0.948 10 0 BCAERO C[C@H]1OCC[C@@H]1NC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000715171662 712513221 /nfs/dbraw/zinc/51/32/21/712513221.db2.gz WLJSGOPYQBNOBT-KVPKETBZSA-N 1 0 234.246 0.120 10 0 BCAERO C[C@@H]([NH3+])CC(=O)NC[C@@H]1CCC[C@H]1O ZINC000715135002 712514543 /nfs/dbraw/zinc/51/45/43/712514543.db2.gz BICJFONFJVFCTF-HRDYMLBCSA-N 1 0 200.282 0.001 10 0 BCAERO CCCNC(=O)[C@]12C[NH2+]C[C@H]1COCC2 ZINC000715420659 712518274 /nfs/dbraw/zinc/51/82/74/712518274.db2.gz JESUMJOEBWDFNN-GXSJLCMTSA-N 1 0 212.293 0.139 10 0 BCAERO CO[C@@H]1CN(Cc2n[nH]cc2C)[C@](C)(C[NH3+])C1 ZINC000715447008 712519139 /nfs/dbraw/zinc/51/91/39/712519139.db2.gz PZRGYJWJJVTDQB-JQWIXIFHSA-N 1 0 238.335 0.656 10 0 BCAERO [NH3+]Cc1cn(C[C@H]2CC[C@H](C3CC3)O2)nn1 ZINC000715465997 712519775 /nfs/dbraw/zinc/51/97/75/712519775.db2.gz WKUVXGDTMCPLGM-GHMZBOCLSA-N 1 0 222.292 0.694 10 0 BCAERO CCCN(CC)C(=O)[C@]12C[NH2+]C[C@H]1COCC2 ZINC000715472270 712520435 /nfs/dbraw/zinc/52/04/35/712520435.db2.gz ZNNDKAQUAWGXHF-WCQYABFASA-N 1 0 240.347 0.871 10 0 BCAERO C[C@H]([NH2+][C@@H]1CO[C@H](C)[C@H]1C)c1cn(C)nn1 ZINC000715836057 712534529 /nfs/dbraw/zinc/53/45/29/712534529.db2.gz ISOUMWDMBNBULT-PKIKSRDPSA-N 1 0 224.308 0.889 10 0 BCAERO C[C@H]([NH2+][C@@H]1CO[C@H](C)[C@@H]1C)c1cn(C)nn1 ZINC000715836059 712534796 /nfs/dbraw/zinc/53/47/96/712534796.db2.gz ISOUMWDMBNBULT-WYOJIJJFSA-N 1 0 224.308 0.889 10 0 BCAERO C[C@H]([NH2+]C[C@H](O)C1CC1)c1cn(C)nn1 ZINC000715837704 712535171 /nfs/dbraw/zinc/53/51/71/712535171.db2.gz OCFHYAXSQLCMCX-XVKPBYJWSA-N 1 0 210.281 0.237 10 0 BCAERO C[C@H]([NH2+][C@@H]1CCC[C@@H](O)C1)c1cn(C)nn1 ZINC000715907503 712541577 /nfs/dbraw/zinc/54/15/77/712541577.db2.gz HEVJEKYSSUGZGJ-IVZWLZJFSA-N 1 0 224.308 0.769 10 0 BCAERO COC[C@@H]([NH3+])C(=O)NCC[C@@H]1CCCS1 ZINC000716054122 712548906 /nfs/dbraw/zinc/54/89/06/712548906.db2.gz NMOBKMBSJASYNJ-DTWKUNHWSA-N 1 0 232.349 0.362 10 0 BCAERO CS(=O)(=O)C1CC([NH2+][C@@H]2CCC[C@H](O)C2)C1 ZINC000716082482 712550248 /nfs/dbraw/zinc/55/02/48/712550248.db2.gz BYNLNTAGGCOTES-VKAADOFISA-N 1 0 247.360 0.455 10 0 BCAERO COCCC[C@H](C)[NH2+]C1CC(C(N)=O)C1 ZINC000716682249 712569898 /nfs/dbraw/zinc/56/98/98/712569898.db2.gz ARCFLMQOGYWDLW-IDKOKCKLSA-N 1 0 214.309 0.655 10 0 BCAERO C[C@@H]1C[C@H]([NH2+]C2CC(C(N)=O)C2)[C@@H](C)O1 ZINC000716681851 712569993 /nfs/dbraw/zinc/56/99/93/712569993.db2.gz DKQSPPLNFCKXNK-IGLXGICUSA-N 1 0 212.293 0.406 10 0 BCAERO C[C@@H]([NH2+]C1CC(C(N)=O)C1)[C@@H]1CCCCO1 ZINC000716699459 712570256 /nfs/dbraw/zinc/57/02/56/712570256.db2.gz SOYWRBRPDCOWRI-SFXRXQKFSA-N 1 0 226.320 0.798 10 0 BCAERO NC(=O)C1CC([NH2+][C@H]2CCCc3n[nH]cc32)C1 ZINC000716705649 712570350 /nfs/dbraw/zinc/57/03/50/712570350.db2.gz KNAARFDDIWDRQZ-KTOWXAHTSA-N 1 0 234.303 0.641 10 0 BCAERO C[C@@H]1OC[C@@H]([NH2+]C2CC(C(N)=O)C2)[C@@H]1C ZINC000716707950 712570419 /nfs/dbraw/zinc/57/04/19/712570419.db2.gz XBFFMJQZWIJDSJ-DJAYFPKFSA-N 1 0 212.293 0.263 10 0 BCAERO NC(=O)C1CC(N[C@@H]2C[C@H]([NH3+])c3ccccc32)C1 ZINC000716721216 712570666 /nfs/dbraw/zinc/57/06/66/712570666.db2.gz AIYVHAQDHMZJAR-CZPQBJFPSA-N 1 0 245.326 0.985 10 0 BCAERO CO[C@@H](C)[C@H](C)[NH2+]C1CC(C(N)=O)C1 ZINC000716722742 712570696 /nfs/dbraw/zinc/57/06/96/712570696.db2.gz KRUZFXOXVJXZJV-MSIFESELSA-N 1 0 200.282 0.263 10 0 BCAERO NC(=O)C1CC([NH2+]C[C@@H](O)c2ccccc2)C1 ZINC000716731268 712571034 /nfs/dbraw/zinc/57/10/34/712571034.db2.gz JCUPCJVBLAMUIT-HTAVTVPLSA-N 1 0 234.299 0.574 10 0 BCAERO CO[C@H](C)[C@H](C)[NH2+]C1CC(C(N)=O)C1 ZINC000716722744 712571100 /nfs/dbraw/zinc/57/11/00/712571100.db2.gz KRUZFXOXVJXZJV-MZUZGICHSA-N 1 0 200.282 0.263 10 0 BCAERO C[C@H]([NH2+]C1CC(C(N)=O)C1)[C@@H]1CCOC1 ZINC000716740275 712571721 /nfs/dbraw/zinc/57/17/21/712571721.db2.gz INDKWOPAJBOCTB-AFWXGSBKSA-N 1 0 212.293 0.265 10 0 BCAERO C[C@@H]([NH2+]C1CC(C(N)=O)C1)c1cccnc1 ZINC000716754080 712572367 /nfs/dbraw/zinc/57/23/67/712572367.db2.gz DXVIKRHYUSSKTE-MFAVDMRSSA-N 1 0 219.288 0.996 10 0 BCAERO Cc1ccncc1C[NH2+]C1CC(C(N)=O)C1 ZINC000716756128 712572437 /nfs/dbraw/zinc/57/24/37/712572437.db2.gz VGHPMYQLUXZHSU-UHFFFAOYSA-N 1 0 219.288 0.744 10 0 BCAERO Cc1nccnc1[C@@H](C)[NH2+]C1CC(C(N)=O)C1 ZINC000716783621 712573126 /nfs/dbraw/zinc/57/31/26/712573126.db2.gz WWQVKYOZCDXRSD-XNWIYYODSA-N 1 0 234.303 0.700 10 0 BCAERO NC(=O)C1CC([NH2+][C@H]2CCc3cccnc32)C1 ZINC000716774909 712573299 /nfs/dbraw/zinc/57/32/99/712573299.db2.gz KVKNXEHTHRGCSO-ILDUYXDCSA-N 1 0 231.299 0.922 10 0 BCAERO Cc1ncc(C[NH2+]C2CC(C(N)=O)C2)o1 ZINC000716775535 712573401 /nfs/dbraw/zinc/57/34/01/712573401.db2.gz UADSYFZTJMZFRP-UHFFFAOYSA-N 1 0 209.249 0.337 10 0 BCAERO C[C@H]([NH3+])CN(C)c1ccc([N+](=O)[O-])cn1 ZINC000379810434 712605716 /nfs/dbraw/zinc/60/57/16/712605716.db2.gz PKBXBVQMZANXNG-ZETCQYMHSA-N 1 0 210.237 0.773 10 0 BCAERO O=S1(=O)C[C@@H](O)[C@H]([NH2+]CC2CCCCC2)C1 ZINC000037487403 712651077 /nfs/dbraw/zinc/65/10/77/712651077.db2.gz ZVKGJVVLACBSGY-GHMZBOCLSA-N 1 0 247.360 0.314 10 0 BCAERO C[C@H]1[C@H]([NH3+])CCN1S(=O)(=O)c1ccns1 ZINC000717735987 712669347 /nfs/dbraw/zinc/66/93/47/712669347.db2.gz MOKPDGLJHICAAZ-NKWVEPMBSA-N 1 0 247.345 0.253 10 0 BCAERO O=S(=O)(NC[C@@H]1CC[NH2+]C1)c1ccns1 ZINC000717736666 712669423 /nfs/dbraw/zinc/66/94/23/712669423.db2.gz POMPJPRJOXFCIV-SSDOTTSWSA-N 1 0 247.345 0.031 10 0 BCAERO CN(C[C@H]1CCCO1)C(=O)CC1CC([NH3+])C1 ZINC000718049339 712738727 /nfs/dbraw/zinc/73/87/27/712738727.db2.gz DXXZWYLUXNXJSY-VQXHTEKXSA-N 1 0 226.320 0.751 10 0 BCAERO C[C@@H]1CN(C(=O)CC2CC([NH3+])C2)C[C@@H](C)O1 ZINC000718050477 712739234 /nfs/dbraw/zinc/73/92/34/712739234.db2.gz PXTAZNRZFDONQT-NKVNRFPTSA-N 1 0 226.320 0.750 10 0 BCAERO C[C@@H]1CO[C@H](C(=O)N[C@@H]2CCC[C@H]2C[NH3+])C1 ZINC000718497439 712767301 /nfs/dbraw/zinc/76/73/01/712767301.db2.gz CHRQCRCRHUCNGH-MMWGEVLESA-N 1 0 226.320 0.655 10 0 BCAERO C[C@@H]1CO[C@H](C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)C1 ZINC000718515080 712768125 /nfs/dbraw/zinc/76/81/25/712768125.db2.gz DYPUYPKLNUNKIO-HGCLJGPKSA-N 1 0 238.331 0.607 10 0 BCAERO CC(F)(F)CCC[N@@H+]1C[C@@H](O)C[C@H]1CO ZINC000718705725 712777979 /nfs/dbraw/zinc/77/79/79/712777979.db2.gz CUAYNSYYJKSSGC-IUCAKERBSA-N 1 0 223.263 0.849 10 0 BCAERO CN1CCC[C@H]1C[N@@H+]1CC[C@@H](C2OCCO2)C1 ZINC000719090699 712796730 /nfs/dbraw/zinc/79/67/30/712796730.db2.gz HDGFTASKTRXFSA-NEPJUHHUSA-N 1 0 240.347 0.775 10 0 BCAERO O[C@@H]1CCC[C@H]1[NH+]1CCC(C2OCCO2)CC1 ZINC000719092633 712796996 /nfs/dbraw/zinc/79/69/96/712796996.db2.gz XGGYPXWXELNCHH-VXGBXAGGSA-N 1 0 241.331 0.985 10 0 BCAERO CCC[C@H]1C[C@@H]1NC(=O)c1c(C[NH3+])cnn1C ZINC000719245755 712801142 /nfs/dbraw/zinc/80/11/42/712801142.db2.gz SFGDVAQCIKWGNW-WPRPVWTQSA-N 1 0 236.319 0.797 10 0 BCAERO C[C@@H]1[C@H]([NH2+][C@@H]2CCCC[C@H]2O)CCN1C ZINC000719604047 712816012 /nfs/dbraw/zinc/81/60/12/712816012.db2.gz VFEVFFOVKQFEHA-DDHJBXDOSA-N 1 0 212.337 0.972 10 0 BCAERO C[NH2+]CCCCC(=O)N[C@@H]1CCC[C@H](O)C1 ZINC000719715057 712823049 /nfs/dbraw/zinc/82/30/49/712823049.db2.gz NINWXWPVHVUHSL-MNOVXSKESA-N 1 0 228.336 0.796 10 0 BCAERO C[C@H]1CN(CCc2ccns2)C[C@@H]1[NH3+] ZINC000719829651 712823722 /nfs/dbraw/zinc/82/37/22/712823722.db2.gz BFOKXSDBPNTAIS-WPRPVWTQSA-N 1 0 211.334 0.965 10 0 BCAERO C[C@H](C[C@H]1CCC[NH2+]1)N[C@H](C)c1cn(C)nn1 ZINC000720592624 712855777 /nfs/dbraw/zinc/85/57/77/712855777.db2.gz XYQYMRKJODWDNZ-GMTAPVOTSA-N 1 0 237.351 0.996 10 0 BCAERO O=C(NCC[C@H]1CCCO1)[C@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC000721023885 712887088 /nfs/dbraw/zinc/88/70/88/712887088.db2.gz HNDDDVUCCHAFLB-WYUUTHIRSA-N 1 0 238.331 0.527 10 0 BCAERO O=C(NCC[C@@H]1CCCO1)[C@@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC000721023883 712887228 /nfs/dbraw/zinc/88/72/28/712887228.db2.gz HNDDDVUCCHAFLB-WHOHXGKFSA-N 1 0 238.331 0.527 10 0 BCAERO CN(CC1CC[NH+](C)CC1)c1ccnc(N)n1 ZINC000133253948 721936008 /nfs/dbraw/zinc/93/60/08/721936008.db2.gz XAFYAVNKTYYHJD-UHFFFAOYSA-N 1 0 235.335 0.837 10 0 BCAERO C[NH+](C)CC1CCN(c2cc(N)ncn2)CC1 ZINC000131335690 721948397 /nfs/dbraw/zinc/94/83/97/721948397.db2.gz WLESTVHTTXHKAH-UHFFFAOYSA-N 1 0 235.335 0.837 10 0 BCAERO CC[C@H]1[NH2+]CC[C@H]1c1n[nH]nc1C(=O)OC ZINC000685953906 538898538 /nfs/dbraw/zinc/89/85/38/538898538.db2.gz OOPHPRYEXAHPHW-RNFRBKRXSA-N 1 0 224.264 0.447 10 0 BCAERO CNCC(F)(F)CO[C@@H]1CC[N@H+](C)C1 ZINC000685956941 538899940 /nfs/dbraw/zinc/89/99/40/538899940.db2.gz MYLJIDSTIHRJOB-MRVPVSSYSA-N 1 0 208.252 0.562 10 0 BCAERO C[C@@H]1CC[C@@H](S(C)(=O)=O)[C@@H](C[NH3+])C1 ZINC000685955073 538900009 /nfs/dbraw/zinc/90/00/09/538900009.db2.gz SEOUSTZPRZJSCJ-IWSPIJDZSA-N 1 0 205.323 0.795 10 0 BCAERO COCC(COC)OCC(F)(F)C[NH3+] ZINC000685956382 538902096 /nfs/dbraw/zinc/90/20/96/538902096.db2.gz SQFKTTWQKIWPGK-UHFFFAOYSA-N 1 0 213.224 0.258 10 0 BCAERO CN(CC1C[NH+](C)C1)CC(F)(F)CN ZINC000685956271 538902217 /nfs/dbraw/zinc/90/22/17/538902217.db2.gz BGGAOWVVOIRABF-UHFFFAOYSA-N 1 0 207.268 0.074 10 0 BCAERO CC1(C)OC[C@H]([C@H](CO)CC[NH2+]C2CC2)O1 ZINC000685963046 538909857 /nfs/dbraw/zinc/90/98/57/538909857.db2.gz FNLHHMSANMVLNX-GXSJLCMTSA-N 1 0 229.320 0.889 10 0 BCAERO CN(C)c1nc2c(n1C1CC1)CC[NH2+]C2 ZINC000685962908 538909892 /nfs/dbraw/zinc/90/98/92/538909892.db2.gz ZRABRKISQPTZOM-UHFFFAOYSA-N 1 0 206.293 0.930 10 0 BCAERO CCS(=O)(=O)[C@@H]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000685953035 538896694 /nfs/dbraw/zinc/89/66/94/538896694.db2.gz FRDLDJMGXSOUMP-DJLDLDEBSA-N 1 0 205.323 0.937 10 0 BCAERO CCOC(=O)c1n[nH]nc1[C@H](C)C1C[NH2+]C1 ZINC000685953074 538896847 /nfs/dbraw/zinc/89/68/47/538896847.db2.gz JKJUGTVHARIYAS-ZCFIWIBFSA-N 1 0 224.264 0.304 10 0 BCAERO CN(CCc1ccccn1)C(=O)[C@H]1CC[NH2+]C1 ZINC000062112558 349438191 /nfs/dbraw/zinc/43/81/91/349438191.db2.gz NXWOXJHLOSFHRS-NSHDSACASA-N 1 0 233.315 0.692 10 0 BCAERO O=C(NCCCCn1ccnc1)[C@H]1CC[NH2+]C1 ZINC000062116673 349438297 /nfs/dbraw/zinc/43/82/97/349438297.db2.gz GWOUDROUSFJFEB-NSHDSACASA-N 1 0 236.319 0.389 10 0 BCAERO [NH3+]CCN1CC[C@H](c2cccc(CCO)c2)C1 ZINC000616612004 349468836 /nfs/dbraw/zinc/46/88/36/349468836.db2.gz IXRHLBVHVROTDU-AWEZNQCLSA-N 1 0 234.343 0.969 10 0 BCAERO CCC(CC)(C[NH3+])C(=O)N[C@@H]1CCCNC1=O ZINC000050397597 168323196 /nfs/dbraw/zinc/32/31/96/168323196.db2.gz BQYDIZGPEKUCJO-SECBINFHSA-N 1 0 241.335 0.146 10 0 BCAERO CCC(CC)C(=O)N(C)[C@@H]1C[NH2+]C[C@H]1O ZINC000036261589 168332029 /nfs/dbraw/zinc/33/20/29/168332029.db2.gz CYPJXHISTYGILI-NXEZZACHSA-N 1 0 214.309 0.214 10 0 BCAERO c1nncn1CCNC1=[NH+]CCCS1 ZINC000307396430 398158672 /nfs/dbraw/zinc/15/86/72/398158672.db2.gz OUINPXHNXCDUSL-UHFFFAOYSA-N 1 0 211.294 0.361 10 0 BCAERO Cn1nnnc1NCCC[NH2+]Cc1cccnc1 ZINC000063197152 349501527 /nfs/dbraw/zinc/50/15/27/349501527.db2.gz LOLLWRKQDJRXOB-UHFFFAOYSA-N 1 0 247.306 0.197 10 0 BCAERO Cc1cncc(NC(=O)[C@H]2C[NH2+]CCOC2)c1 ZINC000649331997 398149204 /nfs/dbraw/zinc/14/92/04/398149204.db2.gz NYOPIJVAZLVWSS-JTQLQIEISA-N 1 0 235.287 0.565 10 0 BCAERO C[C@H](Nc1nnnn1C)[C@@H]1CCC[NH2+]C1 ZINC000062939403 349502255 /nfs/dbraw/zinc/50/22/55/349502255.db2.gz HOAQZMRDAQCLEH-JGVFFNPUSA-N 1 0 210.285 0.010 10 0 BCAERO Cc1cc(CNC(=O)[C@H]2CCC[NH2+][C@H]2C)on1 ZINC000335596309 178015259 /nfs/dbraw/zinc/01/52/59/178015259.db2.gz KQHXUQJYDFEVTL-ONGXEEELSA-N 1 0 237.303 0.987 10 0 BCAERO CCS(=O)(=O)C[C@@H](C)[NH2+]CC[C@@H]1CCCO1 ZINC000162222778 538921735 /nfs/dbraw/zinc/92/17/35/538921735.db2.gz MCTVRLNZIRUDRZ-MNOVXSKESA-N 1 0 249.376 0.968 10 0 BCAERO Cc1cc(C[NH2+][C@H]2CCC(=O)N[C@@H]2C)on1 ZINC000282202819 178038621 /nfs/dbraw/zinc/03/86/21/178038621.db2.gz CSKQYOTUGKZBGG-SCZZXKLOSA-N 1 0 223.276 0.740 10 0 BCAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)c1ccc(N(C)C)nc1 ZINC000649362476 398175149 /nfs/dbraw/zinc/17/51/49/398175149.db2.gz MDSZCDRXESJDAK-KOLCDFICSA-N 1 0 248.330 0.709 10 0 BCAERO C[C@H]1[C@H]([NH3+])CCN1C(=O)c1ccc(N(C)C)nc1 ZINC000649362475 398175220 /nfs/dbraw/zinc/17/52/20/398175220.db2.gz MDSZCDRXESJDAK-GXSJLCMTSA-N 1 0 248.330 0.709 10 0 BCAERO C[C@@H]1C[NH2+][C@](C)([C@H]2CNCCO2)S1 ZINC000575516827 398175932 /nfs/dbraw/zinc/17/59/32/398175932.db2.gz DLCWDDSELWVQPL-HLTSFMKQSA-N 1 0 202.323 0.416 10 0 BCAERO COC[C@H](C)CC(=O)N1CC[C@H]([NH3+])[C@H]1C ZINC000379993499 398179751 /nfs/dbraw/zinc/17/97/51/398179751.db2.gz YWSSGAKTLQHYHZ-BBBLOLIVSA-N 1 0 214.309 0.607 10 0 BCAERO CC(C)C1(CNC(=O)[C@H]2C[NH2+]CCOC2)CC1 ZINC000643711830 398180114 /nfs/dbraw/zinc/18/01/14/398180114.db2.gz DCUGNXUKVVWTPD-NSHDSACASA-N 1 0 240.347 0.775 10 0 BCAERO Cc1cc(N2CCC[C@@H]2C[NH3+])n2ncnc2n1 ZINC000053663398 178114678 /nfs/dbraw/zinc/11/46/78/178114678.db2.gz WERBQFOWLAQDIB-SECBINFHSA-N 1 0 232.291 0.360 10 0 BCAERO O=C(CC[C@H]1CCC[NH2+]1)N=c1cc[nH][nH]1 ZINC000380112462 398187064 /nfs/dbraw/zinc/18/70/64/398187064.db2.gz OOUSWQQJBZWBDC-MRVPVSSYSA-N 1 0 208.265 0.302 10 0 BCAERO Cc1cc(F)ccc1S(=O)(=O)N[C@@H]1C[C@@H]1[NH3+] ZINC000036264783 178092366 /nfs/dbraw/zinc/09/23/66/178092366.db2.gz MVHRRIMRMCOJTF-DTWKUNHWSA-N 1 0 244.291 0.512 10 0 BCAERO C[C@H]([NH3+])c1noc([C@@H]2CSCN2)n1 ZINC000306766085 398193055 /nfs/dbraw/zinc/19/30/55/398193055.db2.gz NTOKAGFAIIGQPB-WHFBIAKZSA-N 1 0 200.267 0.424 10 0 BCAERO Cc1cc(=O)[nH]cc1NC(=O)C[C@H](C)[NH3+] ZINC000390663654 398196303 /nfs/dbraw/zinc/19/63/03/398196303.db2.gz SYNLPDKHOZOYSI-ZETCQYMHSA-N 1 0 209.249 0.771 10 0 BCAERO C[C@@H]1C[C@@]2([NH2+]CCc3nc[nH]c32)[C@@H](C)O1 ZINC000400387442 398196491 /nfs/dbraw/zinc/19/64/91/398196491.db2.gz IYSIYGNIIPOFHA-SOCHQFKDSA-N 1 0 207.277 0.948 10 0 BCAERO Cc1cc2ncnn2c(N2CC[C@H](C[NH3+])C2)c1 ZINC000050249875 178119424 /nfs/dbraw/zinc/11/94/24/178119424.db2.gz CCATYSSDLZHEGL-SNVBAGLBSA-N 1 0 231.303 0.823 10 0 BCAERO Cc1cc(N2C[C@H]([NH3+])[C@@H](C)C2)nc(C)n1 ZINC000235669951 178122514 /nfs/dbraw/zinc/12/25/14/178122514.db2.gz CBDPLINTLLMZGP-XVKPBYJWSA-N 1 0 206.293 0.877 10 0 BCAERO Cc1cc(N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)nc(C)n1 ZINC000153142432 178122556 /nfs/dbraw/zinc/12/25/56/178122556.db2.gz OZRYXALLWWNCOI-NWDGAFQWSA-N 1 0 248.330 0.613 10 0 BCAERO CCOCCCC(=O)N1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000638892675 398203784 /nfs/dbraw/zinc/20/37/84/398203784.db2.gz QIIJFPIIDVTTTR-QWRGUYRKSA-N 1 0 228.336 0.856 10 0 BCAERO [NH3+]C[C@@H]1CN(c2ccnc3cccnc32)CCO1 ZINC000386301435 398204824 /nfs/dbraw/zinc/20/48/24/398204824.db2.gz DXAHXGMBVIRBPQ-SNVBAGLBSA-N 1 0 244.298 0.794 10 0 BCAERO CCN(CCOCCO)C[C@@H]1CCC[N@@H+]1C ZINC000386297349 398204911 /nfs/dbraw/zinc/20/49/11/398204911.db2.gz JMXFKDFFZYZXBW-LBPRGKRZSA-N 1 0 230.352 0.411 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)O1 ZINC000638927458 398205453 /nfs/dbraw/zinc/20/54/53/398205453.db2.gz WOLWNGAJDOOLHK-CHWFTXMASA-N 1 0 224.304 0.517 10 0 BCAERO C[C@H](O)[C@@H]1CC[N@H+](C[C@@H]2CCCN2C)C1 ZINC000386345719 398205733 /nfs/dbraw/zinc/20/57/33/398205733.db2.gz SUZBYHPJASXQAA-TUAOUCFPSA-N 1 0 212.337 0.783 10 0 BCAERO CCN1CCO[C@H](C[NH2+][C@@H](C)[C@@H](C)OC)C1 ZINC000162914585 538925688 /nfs/dbraw/zinc/92/56/88/538925688.db2.gz JCTQETGGQYGDAP-QJPTWQEYSA-N 1 0 230.352 0.720 10 0 BCAERO Cc1cc(NC(=O)c2c[nH+]ccc2N)n(C)n1 ZINC000127079789 178151195 /nfs/dbraw/zinc/15/11/95/178151195.db2.gz NCTOHLHSXVZPIU-UHFFFAOYSA-N 1 0 231.259 0.958 10 0 BCAERO Cc1cc(NCCCN2CC[NH2+]CC2)ncn1 ZINC000040727532 178159791 /nfs/dbraw/zinc/15/97/91/178159791.db2.gz PKDLPDXFAAPVCQ-UHFFFAOYSA-N 1 0 235.335 0.492 10 0 BCAERO Cc1cc(NCCCN2CC[NH2+]CC2)nc(C)n1 ZINC000037756878 178160150 /nfs/dbraw/zinc/16/01/50/178160150.db2.gz FUATVWSBDPJZAA-UHFFFAOYSA-N 1 0 249.362 0.801 10 0 BCAERO C[C@H](CC(N)=O)[NH2+]C[C@@H]1CCCC[C@@H]1O ZINC000336758035 398212592 /nfs/dbraw/zinc/21/25/92/398212592.db2.gz KHZDCGNRDOSJBJ-UTLUCORTSA-N 1 0 214.309 0.391 10 0 BCAERO CCCNC(=O)CN1CC[C@H](C)C[C@@H]1C[NH3+] ZINC000082643431 136221938 /nfs/dbraw/zinc/22/19/38/136221938.db2.gz DTWSZCXYPSLFPD-WDEREUQCSA-N 1 0 227.352 0.572 10 0 BCAERO CCN(C)C[C@H](O)C[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000381074186 398222806 /nfs/dbraw/zinc/22/28/06/398222806.db2.gz PIAJMDABCUFGRN-TUAOUCFPSA-N 1 0 230.352 0.456 10 0 BCAERO CN(C)S(=O)(=O)c1ccc(CCC[NH3+])cc1 ZINC000020269673 538930962 /nfs/dbraw/zinc/93/09/62/538930962.db2.gz VJRAIJRKZLNJRQ-UHFFFAOYSA-N 1 0 242.344 0.828 10 0 BCAERO Cc1cc(Nc2nc[nH+]c(NN(C)C)c2N)no1 ZINC000040680959 178193820 /nfs/dbraw/zinc/19/38/20/178193820.db2.gz FRGPRAUCLWJOEL-UHFFFAOYSA-N 1 0 249.278 0.987 10 0 BCAERO Nc1nnc(SC[C@H]2C[NH2+]CCO2)s1 ZINC000070834365 361778107 /nfs/dbraw/zinc/77/81/07/361778107.db2.gz HXQZNIVDXUBFBU-RXMQYKEDSA-N 1 0 232.334 0.201 10 0 BCAERO CC(C)NC(=O)C[N@@H+]1C[C@H](C)C[C@H](O)C1 ZINC000334881425 398236574 /nfs/dbraw/zinc/23/65/74/398236574.db2.gz MRWNJWUUVIELCX-ZJUUUORDSA-N 1 0 214.309 0.214 10 0 BCAERO COCC(=O)N1CC[C@@H](CC(C)C)[C@H]([NH3+])C1 ZINC000616568731 538938073 /nfs/dbraw/zinc/93/80/73/538938073.db2.gz CWQXVEGZARPDEZ-WDEREUQCSA-N 1 0 228.336 0.855 10 0 BCAERO Cc1cc2c(ncn(CC[NH3+])c2=O)s1 ZINC000057832257 178277922 /nfs/dbraw/zinc/27/79/22/178277922.db2.gz CEQKDSPWKDPYSZ-UHFFFAOYSA-N 1 0 209.274 0.725 10 0 BCAERO COC[C@@H](C)C(=O)N1CC[NH2+]CC1(C)C ZINC000390801111 398249825 /nfs/dbraw/zinc/24/98/25/398249825.db2.gz ZBPYIJNYQPYDNU-SECBINFHSA-N 1 0 214.309 0.479 10 0 BCAERO CCCOCC(=O)N1CC[C@H](C)C[C@H]1C[NH3+] ZINC000233223651 136230381 /nfs/dbraw/zinc/23/03/81/136230381.db2.gz IWPUBRXBUBJCGH-QWRGUYRKSA-N 1 0 228.336 0.999 10 0 BCAERO CC1(C)CCC[NH2+][C@H]1CNC(=O)c1ccnnc1 ZINC000232978878 136230108 /nfs/dbraw/zinc/23/01/08/136230108.db2.gz ZJCARKGLHFMWJD-NSHDSACASA-N 1 0 248.330 0.985 10 0 BCAERO CC[NH2+][C@H]1CCN(S(C)(=O)=O)C[C@@H]1CC ZINC000168071005 538945222 /nfs/dbraw/zinc/94/52/22/538945222.db2.gz ILHQDFGCTBDQAF-UWVGGRQHSA-N 1 0 234.365 0.656 10 0 BCAERO Cc1ccc(-c2nnnn2CCC[NH3+])cc1 ZINC000042199278 178342478 /nfs/dbraw/zinc/34/24/78/178342478.db2.gz QIENLYCUUJXVIW-UHFFFAOYSA-N 1 0 217.276 0.997 10 0 BCAERO CCC(CC)N(C)[C@@H]1CS(=O)(=O)C[C@@H]1[NH3+] ZINC000054493007 168369146 /nfs/dbraw/zinc/36/91/46/168369146.db2.gz AYOPLEDYVKYISZ-VHSXEESVSA-N 1 0 234.365 0.231 10 0 BCAERO O=C(NCCCC1CC1)[C@H]1C[C@H](F)C[NH2+]1 ZINC000381999401 398255037 /nfs/dbraw/zinc/25/50/37/398255037.db2.gz JFTZGGKTKSNELZ-VHSXEESVSA-N 1 0 214.284 0.993 10 0 BCAERO COC(C)(C)[C@H](C)[NH2+]C1CCN(CCO)CC1 ZINC000645434671 398261973 /nfs/dbraw/zinc/26/19/73/398261973.db2.gz RBGYUPDCOCYSQJ-NSHDSACASA-N 1 0 244.379 0.846 10 0 BCAERO C[C@H](O)[C@H]1CC[N@H+](C[C@@H]2CCCN2C)C1 ZINC000386345718 398264808 /nfs/dbraw/zinc/26/48/08/398264808.db2.gz SUZBYHPJASXQAA-SRVKXCTJSA-N 1 0 212.337 0.783 10 0 BCAERO CCC(CC)[N@H+](CCO)CCn1ccc(N)n1 ZINC000071378117 168373512 /nfs/dbraw/zinc/37/35/12/168373512.db2.gz HKIPEUBYPYSCFW-UHFFFAOYSA-N 1 0 240.351 0.948 10 0 BCAERO CCC(CC)[N@H+](CCO)[C@@H](C)C(N)=O ZINC000050107171 168373672 /nfs/dbraw/zinc/37/36/72/168373672.db2.gz MLOJERLYOWXBRW-QMMMGPOBSA-N 1 0 202.298 0.343 10 0 BCAERO CCC(CC)[N@H+](CCOC)CC(=O)NCCO ZINC000042681116 168373695 /nfs/dbraw/zinc/37/36/95/168373695.db2.gz BQKPDNXTKQTIDZ-UHFFFAOYSA-N 1 0 246.351 0.232 10 0 BCAERO CC[C@@H](C)C[NH2+][C@H]1COC[C@H]1n1ccnn1 ZINC000378756476 346825128 /nfs/dbraw/zinc/82/51/28/346825128.db2.gz YIBFIPKIDKMMPO-OUAUKWLOSA-N 1 0 224.308 0.854 10 0 BCAERO C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2C)C[C@@H](CO)O1 ZINC000386320352 398264929 /nfs/dbraw/zinc/26/49/29/398264929.db2.gz NIUJYGXVZRBZIM-WOPDTQHZSA-N 1 0 228.336 0.162 10 0 BCAERO COc1ccnc(N2C[C@@H](C)[NH2+]C[C@H]2C)n1 ZINC000083119073 349560547 /nfs/dbraw/zinc/56/05/47/349560547.db2.gz HYBNQBFLQYJOMY-RKDXNWHRSA-N 1 0 222.292 0.672 10 0 BCAERO COC[C@H](C)NC(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000381594235 398265295 /nfs/dbraw/zinc/26/52/95/398265295.db2.gz KWEZNYOTSPPQGS-ATZCPNFKSA-N 1 0 212.293 0.137 10 0 BCAERO COc1nc2c(cc1N)CC[N@H+](C)CC2 ZINC000259483427 349574935 /nfs/dbraw/zinc/57/49/35/349574935.db2.gz NOQJFLQTVLDCCJ-UHFFFAOYSA-N 1 0 207.277 0.703 10 0 BCAERO CC[NH2+][C@@H](C)C(=O)N1CCC[C@@H](C(=O)OC)C1 ZINC000602522478 349575868 /nfs/dbraw/zinc/57/58/68/349575868.db2.gz VYTDITRFVSAVRB-VHSXEESVSA-N 1 0 242.319 0.396 10 0 BCAERO CCC(CC)N(CCO)c1nccnc1C[NH3+] ZINC000054377850 168374656 /nfs/dbraw/zinc/37/46/56/168374656.db2.gz IDIYBDKKGYFSJX-UHFFFAOYSA-N 1 0 238.335 0.923 10 0 BCAERO Cc1ccc(C(=O)NC2CC([NH3+])C2)c(C)n1 ZINC000055331086 178401525 /nfs/dbraw/zinc/40/15/25/178401525.db2.gz CWMINCJETKUDDN-UHFFFAOYSA-N 1 0 219.288 0.918 10 0 BCAERO Cc1[nH]nc(C(=O)N2C[C@H](C)[C@H]([NH3+])C2)c1C ZINC000335381277 136234710 /nfs/dbraw/zinc/23/47/10/136234710.db2.gz PTFDRIQAZBTSMY-IMTBSYHQSA-N 1 0 222.292 0.446 10 0 BCAERO CC1(C)OCC[C@H]1[NH2+]C[C@H]1CNC(=O)O1 ZINC000378854964 346844791 /nfs/dbraw/zinc/84/47/91/346844791.db2.gz JJIQZUVQSVDFIT-JGVFFNPUSA-N 1 0 214.265 0.252 10 0 BCAERO CN(C)C1(C[NH2+]CC(C)(C)O)CCC1 ZINC000165213992 361836714 /nfs/dbraw/zinc/83/67/14/361836714.db2.gz YMNILYIZCGVHFT-UHFFFAOYSA-N 1 0 200.326 0.831 10 0 BCAERO CCC[S@](=O)N1CC[NH2+]C[C@@H](C)C1 ZINC000306644154 361831228 /nfs/dbraw/zinc/83/12/28/361831228.db2.gz YQVNNFRZYWYQNV-RNCFNFMXSA-N 1 0 204.339 0.601 10 0 BCAERO Cc1n[nH]cc1[C@H](C)[NH2+][C@@H]1CCc2ncnn2C1 ZINC000180853345 538959174 /nfs/dbraw/zinc/95/91/74/538959174.db2.gz CVGWGSXDJZNBKS-WCBMZHEXSA-N 1 0 246.318 0.975 10 0 BCAERO [NH3+][C@@H]1CC[C@H](C(=O)NCc2ccno2)C1 ZINC000231893547 342743342 /nfs/dbraw/zinc/74/33/42/342743342.db2.gz OUFWAPATHYJBHG-JGVFFNPUSA-N 1 0 209.249 0.418 10 0 BCAERO CCC(CC)NC(=O)[C@H](C)[NH2+][C@@H]1CCN(C)C1 ZINC000042547176 168382573 /nfs/dbraw/zinc/38/25/73/168382573.db2.gz KRFBEYZLKBJRTH-CMPLNLGQSA-N 1 0 241.379 0.973 10 0 BCAERO Cc1cc(C(=O)CN2CC[NH2+]CC2)sn1 ZINC000306656913 361867435 /nfs/dbraw/zinc/86/74/35/361867435.db2.gz MAXWKGUSAZVACS-UHFFFAOYSA-N 1 0 225.317 0.539 10 0 BCAERO NCc1noc(C[C@H]2CCC[NH2+]CC2)n1 ZINC000309593479 342729161 /nfs/dbraw/zinc/72/91/61/342729161.db2.gz HOUUQWCBEUPIQX-QMMMGPOBSA-N 1 0 210.281 0.461 10 0 BCAERO CSCCC(=O)N1C[C@H](C)[C@H](C[NH3+])C1 ZINC000602594116 349616255 /nfs/dbraw/zinc/61/62/55/349616255.db2.gz PTTJFPHFJOPZMM-DTWKUNHWSA-N 1 0 216.350 0.793 10 0 BCAERO COC1(CCn2cc(C[NH3+])nn2)CCC1 ZINC000381861185 398280294 /nfs/dbraw/zinc/28/02/94/398280294.db2.gz IGUSHCDOJUPMFP-UHFFFAOYSA-N 1 0 210.281 0.696 10 0 BCAERO COC(=O)c1cncc(N[C@@H](C)C[C@@H](C)[NH3+])n1 ZINC000320413424 342733686 /nfs/dbraw/zinc/73/36/86/342733686.db2.gz WSYGNEKPGXOJAM-SFYZADRCSA-N 1 0 238.291 0.801 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N[C@H](C)C(=O)N(C)CC ZINC000231855325 342740441 /nfs/dbraw/zinc/74/04/41/342740441.db2.gz URSPIVUOCHMVEO-BDAKNGLRSA-N 1 0 229.324 0.097 10 0 BCAERO CC(C)[C@H](NC(=O)C[C@@H]1CCC[NH2+]C1)C(N)=O ZINC000231045221 488180146 /nfs/dbraw/zinc/18/01/46/488180146.db2.gz YPXJKYMRWHAVRW-ONGXEEELSA-N 1 0 241.335 0.002 10 0 BCAERO N#Cc1cccc2c1OC[C@@H]2CN1CC[NH2+]CC1 ZINC000145781451 342763319 /nfs/dbraw/zinc/76/33/19/342763319.db2.gz MEEMNISDIOAZRH-LBPRGKRZSA-N 1 0 243.310 0.939 10 0 BCAERO CCC(C)(C)NC(=O)C[NH2+][C@H](C)COC ZINC000042212834 342763810 /nfs/dbraw/zinc/76/38/10/342763810.db2.gz DKBLVWYLTGQGCB-SECBINFHSA-N 1 0 216.325 0.916 10 0 BCAERO CNC(=O)[C@H]([NH2+]CC(=O)NC(C)(C)C)C(C)C ZINC000183648998 538967702 /nfs/dbraw/zinc/96/77/02/538967702.db2.gz BUMBLFIIFFXERI-SNVBAGLBSA-N 1 0 243.351 0.261 10 0 BCAERO [NH3+]C[C@H](c1ccsc1)N1CC[C@@H](O)C1 ZINC000227050563 342768474 /nfs/dbraw/zinc/76/84/74/342768474.db2.gz IHMGXVSOKKMRBI-NXEZZACHSA-N 1 0 212.318 0.815 10 0 BCAERO [NH3+][C@@H]1CC[C@@H](C(=O)Nc2cncnc2)C1 ZINC000232088580 342777650 /nfs/dbraw/zinc/77/76/50/342777650.db2.gz TZHIRLJBLLFFCY-HTQZYQBOSA-N 1 0 206.249 0.543 10 0 BCAERO C[C@H]1CN(C(=O)c2ccc3n[nH]cc3c2)C[C@H]1[NH3+] ZINC000335618427 136237895 /nfs/dbraw/zinc/23/78/95/136237895.db2.gz PPELEVOURQELFE-GZMMTYOYSA-N 1 0 244.298 0.982 10 0 BCAERO CC1(C)C[C@H]1NC(=O)[C@H]1CSCC[NH2+]1 ZINC000126880069 342798427 /nfs/dbraw/zinc/79/84/27/342798427.db2.gz DOBACQIOKLSQIB-HTQZYQBOSA-N 1 0 214.334 0.606 10 0 BCAERO CN(C)C(=O)C[NH2+][C@H]1CCC[C@]1(C)CO ZINC000382364829 361924626 /nfs/dbraw/zinc/92/46/26/361924626.db2.gz UJKHLJLVEAQSNO-GXSJLCMTSA-N 1 0 214.309 0.215 10 0 BCAERO CN(C)C(=O)C[NH2+][C@@H]1CCC[C@]1(C)CO ZINC000382364832 361925044 /nfs/dbraw/zinc/92/50/44/361925044.db2.gz UJKHLJLVEAQSNO-MWLCHTKSSA-N 1 0 214.309 0.215 10 0 BCAERO C[C@H]1CCN(S(=O)(=O)C2CC2)[C@@H]1C[NH3+] ZINC000227095298 342829411 /nfs/dbraw/zinc/82/94/11/342829411.db2.gz KZFFSGNJWBNTJR-IONNQARKSA-N 1 0 218.322 0.148 10 0 BCAERO O=S(=O)(NC[C@@H]1CCCC[NH2+]C1)C1CC1 ZINC000379924704 538982126 /nfs/dbraw/zinc/98/21/26/538982126.db2.gz TTYGAQLUNZVEAG-SECBINFHSA-N 1 0 232.349 0.458 10 0 BCAERO OCCN1CCC[C@@H]([NH2+]Cc2cncs2)C1 ZINC000381502812 539002155 /nfs/dbraw/zinc/00/21/55/539002155.db2.gz QDRXJESFMCOVTD-SNVBAGLBSA-N 1 0 241.360 0.689 10 0 BCAERO CN(C(=O)[C@@]1(C)CCCS1)C1C[NH2+]C1 ZINC000164855309 342838833 /nfs/dbraw/zinc/83/88/33/342838833.db2.gz QYCYVHHZXOZLFI-SNVBAGLBSA-N 1 0 214.334 0.702 10 0 BCAERO CCS(=O)(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000382468522 539009206 /nfs/dbraw/zinc/00/92/06/539009206.db2.gz AZGOYZBDTXOGRO-HTQZYQBOSA-N 1 0 206.311 0.053 10 0 BCAERO CCS(=O)(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000382468525 539009396 /nfs/dbraw/zinc/00/93/96/539009396.db2.gz AZGOYZBDTXOGRO-SFYZADRCSA-N 1 0 206.311 0.053 10 0 BCAERO C[N@@H+]1CC[C@H](C(=O)N[C@H]2CCCC[C@@H]2CO)C1 ZINC000386354607 539013542 /nfs/dbraw/zinc/01/35/42/539013542.db2.gz VDGOHGJTYXZVDJ-TUAOUCFPSA-N 1 0 240.347 0.605 10 0 BCAERO CC[C@@H]([NH3+])C(=O)N[C@@H](C)[C@@H]1CCCO1 ZINC000036871732 398295557 /nfs/dbraw/zinc/29/55/57/398295557.db2.gz YPDGUAKUJKTKRE-YIZRAAEISA-N 1 0 200.282 0.407 10 0 BCAERO C[C@@H]1OCC[C@@H]1[NH2+][C@H]1CCc2nccn2C1 ZINC000381201006 538996210 /nfs/dbraw/zinc/99/62/10/538996210.db2.gz FINXDGAQCBUJQM-DCAQKATOSA-N 1 0 221.304 0.965 10 0 BCAERO CC[N@H+]1C[C@H](Nc2cncc(C)n2)[C@@H](C)C1 ZINC000381345985 538998679 /nfs/dbraw/zinc/99/86/79/538998679.db2.gz ZANYCHSTIPULEK-ONGXEEELSA-N 1 0 220.320 0.959 10 0 BCAERO CC[C@H]1CN(C(C)=O)CC[N@@H+]1C[C@@H](C)O ZINC000174611448 361952067 /nfs/dbraw/zinc/95/20/67/361952067.db2.gz GDPKJNRXYDBHMX-KOLCDFICSA-N 1 0 214.309 0.310 10 0 BCAERO C[C@H]([NH2+][C@@H]1CCCNC1=O)[C@H]1CCCCO1 ZINC000390428154 539021459 /nfs/dbraw/zinc/02/14/59/539021459.db2.gz NOEQRFQIGXNDNP-HBNTYKKESA-N 1 0 226.320 0.812 10 0 BCAERO c1nnn([C@@H]2CCC[NH2+]C2)c1-c1cncnc1 ZINC000725266217 539026958 /nfs/dbraw/zinc/02/69/58/539026958.db2.gz ZIXMEKGXDPPFAA-SNVBAGLBSA-N 1 0 230.275 0.660 10 0 BCAERO CC(C)c1cnn([C@@H](C)[C@H]([NH3+])C(N)=O)c1 ZINC000710697896 539028180 /nfs/dbraw/zinc/02/81/80/539028180.db2.gz CFHBTHGPQISTOF-CBAPKCEASA-N 1 0 210.281 0.380 10 0 BCAERO O=C(N[C@@H]1CCC[C@H](O)C1)[C@H]1CCCC[NH2+]1 ZINC000037000952 398298334 /nfs/dbraw/zinc/29/83/34/398298334.db2.gz YJBBSTJBHOEXOJ-OUAUKWLOSA-N 1 0 226.320 0.548 10 0 BCAERO C[C@@H]1C[C@@H](C)C[NH+](CC[C@H](N)C(N)=O)C1 ZINC000062439384 539016752 /nfs/dbraw/zinc/01/67/52/539016752.db2.gz NBPFSJLQCZKQHD-BBBLOLIVSA-N 1 0 213.325 0.167 10 0 BCAERO Cc1cc(C[C@H]2CSC[C@@H]2[NH3+])n(C)n1 ZINC000134577574 342869740 /nfs/dbraw/zinc/86/97/40/342869740.db2.gz BLRCTEYTBOYNKW-WPRPVWTQSA-N 1 0 211.334 0.961 10 0 BCAERO C[NH2+][C@@H]1CSC[C@@H]1Cc1ncnn1C ZINC000134596547 342872721 /nfs/dbraw/zinc/87/27/21/342872721.db2.gz HNDDYQJBLHOTDQ-JGVFFNPUSA-N 1 0 212.322 0.309 10 0 BCAERO [NH3+]CCCc1nc2c(c(=O)[nH]1)CSC2 ZINC000134654124 342875327 /nfs/dbraw/zinc/87/53/27/342875327.db2.gz ZVQKAMVXTMBPLV-UHFFFAOYSA-N 1 0 211.290 0.408 10 0 BCAERO [NH3+]CCN1CCC[C@H](c2ccncn2)C1 ZINC000308929415 342877296 /nfs/dbraw/zinc/87/72/96/342877296.db2.gz DWSWIMJYFQDDPR-JTQLQIEISA-N 1 0 206.293 0.615 10 0 BCAERO CCOC[C@@H](C)[NH2+][C@H]1CCCNC1=O ZINC000133034851 398309459 /nfs/dbraw/zinc/30/94/59/398309459.db2.gz NAXNUTFQSCNNJT-BDAKNGLRSA-N 1 0 200.282 0.280 10 0 BCAERO Cc1ccc(C(N)=O)c(NC[C@H]2CCC[NH2+]2)n1 ZINC000053254965 178455856 /nfs/dbraw/zinc/45/58/56/178455856.db2.gz FWUPVDGXBNSGQY-SECBINFHSA-N 1 0 234.303 0.653 10 0 BCAERO CC[C@H](C(N)=S)[N@@H+]1CCN(C)C[C@@H]1C ZINC000233889133 342893979 /nfs/dbraw/zinc/89/39/79/342893979.db2.gz GPLIWKGKPWTQGP-DTWKUNHWSA-N 1 0 215.366 0.687 10 0 BCAERO CC(=O)Nc1ccccc1[C@H]1C[NH2+]CCN1 ZINC000309149492 342896148 /nfs/dbraw/zinc/89/61/48/342896148.db2.gz FSBVYSGUKNNLNO-GFCCVEGCSA-N 1 0 219.288 0.879 10 0 BCAERO COc1ccc(CN2C[C@@H]([NH3+])CC2=O)cc1 ZINC000009280457 342889370 /nfs/dbraw/zinc/88/93/70/342889370.db2.gz WWRVXEJNFMHQHH-JTQLQIEISA-N 1 0 220.272 0.755 10 0 BCAERO C[C@@H]([NH3+])Cn1ncc2ccc3c(c21)C[C@@H](O)CO3 ZINC000138503982 342899777 /nfs/dbraw/zinc/89/97/77/342899777.db2.gz CMXWVAVWKSWVHD-PSASIEDQSA-N 1 0 247.298 0.679 10 0 BCAERO Cn1ccc(CC(=O)[C@H]2CC[C@H]([NH3+])C2)n1 ZINC000226600234 342904737 /nfs/dbraw/zinc/90/47/37/342904737.db2.gz RMTRBVVMZIAMHK-IUCAKERBSA-N 1 0 207.277 0.659 10 0 BCAERO CC[NH2+][C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000133334708 398324322 /nfs/dbraw/zinc/32/43/22/398324322.db2.gz CDGIWFHWCUMXMO-MRVPVSSYSA-N 1 0 206.311 0.020 10 0 BCAERO CCOC(=O)[C@H]1CC2(C[NH2+]1)CCOCC2 ZINC000116184185 342922310 /nfs/dbraw/zinc/92/23/10/342922310.db2.gz QGJYLBTZMNNGKL-SECBINFHSA-N 1 0 213.277 0.708 10 0 BCAERO C[C@@H]1CC[C@H](C[NH3+])[C@@H](S(C)(=O)=O)C1 ZINC000218123245 398325730 /nfs/dbraw/zinc/32/57/30/398325730.db2.gz ZGIHJQBSFJJYGK-HLTSFMKQSA-N 1 0 205.323 0.795 10 0 BCAERO CC(C)(C)[C@H]1C[NH2+]CCN1S(C)(=O)=O ZINC000407357745 342926863 /nfs/dbraw/zinc/92/68/63/342926863.db2.gz PCANJJCRTSAOSY-MRVPVSSYSA-N 1 0 220.338 0.266 10 0 BCAERO CC(C)[NH2+]CC(=O)N[C@H](C)[C@@H]1CCCO1 ZINC000037477150 488186593 /nfs/dbraw/zinc/18/65/93/488186593.db2.gz NTGOGWMPYJSNKV-ZJUUUORDSA-N 1 0 214.309 0.668 10 0 BCAERO CS[C@H]1C[NH2+]C[C@@H]1N1CCOCC1 ZINC000134889496 342918225 /nfs/dbraw/zinc/91/82/25/342918225.db2.gz YHDLCYUKDLSEBZ-IUCAKERBSA-N 1 0 202.323 0.022 10 0 BCAERO CS[C@H]1C[NH2+]C[C@H]1N1CCSCC1 ZINC000134896642 342920539 /nfs/dbraw/zinc/92/05/39/342920539.db2.gz IRNFPNQQZNSREC-BDAKNGLRSA-N 1 0 218.391 0.739 10 0 BCAERO CS[C@@H]1C[NH2+]C[C@H]1N1CCCOCC1 ZINC000134899090 342920903 /nfs/dbraw/zinc/92/09/03/342920903.db2.gz ULJLYWWLHKACAV-NXEZZACHSA-N 1 0 216.350 0.412 10 0 BCAERO CN(C)C(=O)c1c[nH+]c(NN)c(Cl)c1 ZINC000051093573 346878404 /nfs/dbraw/zinc/87/84/04/346878404.db2.gz GZTHDHHTOHIPML-UHFFFAOYSA-N 1 0 214.656 0.722 10 0 BCAERO O=C(C[NH2+]C1CC1)N[C@H]1CCC[C@H](O)C1 ZINC000037477033 398327633 /nfs/dbraw/zinc/32/76/33/398327633.db2.gz OKUHIZZYDZXHRW-UWVGGRQHSA-N 1 0 212.293 0.158 10 0 BCAERO CCNC(=O)c1c[nH+]c(NN)c(Cl)c1 ZINC000051095693 346879428 /nfs/dbraw/zinc/87/94/28/346879428.db2.gz VDLCSDZYDWNXTP-UHFFFAOYSA-N 1 0 214.656 0.770 10 0 BCAERO C[NH2+]CCCC(=O)N[C@H]1CCC[C@@H](O)C1 ZINC000037477821 398328094 /nfs/dbraw/zinc/32/80/94/398328094.db2.gz NYCJZDQSFFRUJB-VHSXEESVSA-N 1 0 214.309 0.406 10 0 BCAERO CCC[C@](C)([NH3+])C(=O)N[C@@H]1CCC[C@H](O)C1 ZINC000037481539 398328412 /nfs/dbraw/zinc/32/84/12/398328412.db2.gz SQIYRJCAGDSTMB-SCVCMEIPSA-N 1 0 228.336 0.924 10 0 BCAERO CC(C)CC(=O)N1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000174348762 346880931 /nfs/dbraw/zinc/88/09/31/346880931.db2.gz WQMVNPSUGSXECR-NWDGAFQWSA-N 1 0 242.363 0.946 10 0 BCAERO CCC[C@H]([NH3+])C(=O)NCC[C@H]1CCCO1 ZINC000038097057 398335976 /nfs/dbraw/zinc/33/59/76/398335976.db2.gz RILGRFDEBGFVBY-ZJUUUORDSA-N 1 0 214.309 0.799 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N1CCC(C)(C)CC1 ZINC000088004211 536654234 /nfs/dbraw/zinc/65/42/34/536654234.db2.gz IKGBHLBUQZBMHH-SECBINFHSA-N 1 0 214.309 0.609 10 0 BCAERO CCN1CCO[C@H](C[NH2+][C@@H]2CO[C@H](C)C2)C1 ZINC000401782443 398333055 /nfs/dbraw/zinc/33/30/55/398333055.db2.gz ILIHFIYPWWCPAK-GRYCIOLGSA-N 1 0 228.336 0.474 10 0 BCAERO CN(CCC[NH3+])c1nnnn1-c1ccccc1 ZINC000037673613 398333905 /nfs/dbraw/zinc/33/39/05/398333905.db2.gz FFIMDKMOOTZRRB-UHFFFAOYSA-N 1 0 232.291 0.447 10 0 BCAERO COC[C@H](C)[NH2+]C[C@@H](O)COCc1ccco1 ZINC000037847460 398334948 /nfs/dbraw/zinc/33/49/48/398334948.db2.gz NNYDGYSPBFPOOA-WDEREUQCSA-N 1 0 243.303 0.782 10 0 BCAERO Cn1ccc(CC(=O)[C@H]2CCCC[NH2+]2)n1 ZINC000167691924 346888933 /nfs/dbraw/zinc/88/89/33/346888933.db2.gz LYPNEMGAAIDKDL-SNVBAGLBSA-N 1 0 207.277 0.674 10 0 BCAERO CCOC(=O)[C@@H]1CCC[N@H+](CCO)CC1 ZINC000260623051 398340633 /nfs/dbraw/zinc/34/06/33/398340633.db2.gz RIKOTQAUJQJSSD-SNVBAGLBSA-N 1 0 215.293 0.644 10 0 BCAERO C[C@H]1CN(C(=O)C2(C)C[NH2+]C2)C[C@H](C)O1 ZINC000335621666 398341850 /nfs/dbraw/zinc/34/18/50/398341850.db2.gz JPNCECAWOXEPKS-IUCAKERBSA-N 1 0 212.293 0.232 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N[C@H](C)c1csc(C)n1 ZINC000262192645 536668554 /nfs/dbraw/zinc/66/85/54/536668554.db2.gz CLGYRRRRWMXHRE-HTRCEHHLSA-N 1 0 243.332 0.602 10 0 BCAERO CCN1CCC[C@@H]([NH2+]Cc2cnn(C)c2)C1 ZINC000040502452 346902014 /nfs/dbraw/zinc/90/20/14/346902014.db2.gz XSHHGLANJIUCFE-GFCCVEGCSA-N 1 0 222.336 0.994 10 0 BCAERO C[C@H]1OCC[C@H]1NC(=O)[C@@H]1C[C@H](C)CC[NH2+]1 ZINC000167476735 136254444 /nfs/dbraw/zinc/25/44/44/136254444.db2.gz DYLCARAYMCQGKJ-DBIOUOCHSA-N 1 0 226.320 0.668 10 0 BCAERO CCc1cc(N2CCO[C@H](CO)C2)cc[nH+]1 ZINC000307796972 529535221 /nfs/dbraw/zinc/53/52/21/529535221.db2.gz XVDDBMAEICYCNY-LBPRGKRZSA-N 1 0 222.288 0.842 10 0 BCAERO C[C@@H]([NH2+]CCn1cncn1)[C@H]1CCCO1 ZINC000053500649 346905905 /nfs/dbraw/zinc/90/59/05/346905905.db2.gz LWKYDHZMCQUILS-NXEZZACHSA-N 1 0 210.281 0.435 10 0 BCAERO C[C@@H]([NH2+]CCn1cncn1)[C@@H]1CCCO1 ZINC000053500647 346906011 /nfs/dbraw/zinc/90/60/11/346906011.db2.gz LWKYDHZMCQUILS-ZJUUUORDSA-N 1 0 210.281 0.435 10 0 BCAERO COC[C@@H](O)C[N@@H+]1CCC[C@H]1CCCO ZINC000250464785 536734950 /nfs/dbraw/zinc/73/49/50/536734950.db2.gz MYBCPEOGRYJTPA-QWRGUYRKSA-N 1 0 217.309 0.231 10 0 BCAERO C[C@@H]1CN(C(=O)CCc2cccnc2)C[C@@H]1[NH3+] ZINC000235327692 343010265 /nfs/dbraw/zinc/01/02/65/343010265.db2.gz BMYAJVAKVTVXHV-PWSUYJOCSA-N 1 0 233.315 0.820 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@H]1CCCOC1 ZINC000235291560 343000795 /nfs/dbraw/zinc/00/07/95/343000795.db2.gz UZSRLCKIQUFOGM-GMTAPVOTSA-N 1 0 226.320 0.385 10 0 BCAERO C[C@@H](C(=O)N1C[C@@H](C)[C@@H]([NH3+])C1)n1cccn1 ZINC000235336740 343011063 /nfs/dbraw/zinc/01/10/63/343011063.db2.gz CNJHPZZOCFRWBL-UTLUCORTSA-N 1 0 222.292 0.250 10 0 BCAERO Cc1nn(C)cc1C(=O)N1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000235378553 343011228 /nfs/dbraw/zinc/01/12/28/343011228.db2.gz GYBRQNQCJOGYIZ-XCBNKYQSSA-N 1 0 222.292 0.148 10 0 BCAERO CC[C@H](C)[C@H]([NH3+])[C@@H]1CCS(=O)(=O)C1 ZINC000043300157 343041239 /nfs/dbraw/zinc/04/12/39/343041239.db2.gz MSLGFLPXOLIVBR-YIZRAAEISA-N 1 0 205.323 0.795 10 0 BCAERO CC[C@H]([NH2+]C[C@H]1CNC(=O)O1)[C@H]1CCCO1 ZINC000310037416 529621915 /nfs/dbraw/zinc/62/19/15/529621915.db2.gz VCIWSRYTDGNSBQ-LPEHRKFASA-N 1 0 228.292 0.642 10 0 BCAERO Cc1ncoc1C(=O)N1C[C@H](C)[C@H]([NH3+])C1 ZINC000235633921 343054754 /nfs/dbraw/zinc/05/47/54/343054754.db2.gz OOUIKVFWQLQTPL-POYBYMJQSA-N 1 0 209.249 0.402 10 0 BCAERO [NH3+][C@@H]1CCC2(C[C@@H]1n1cccn1)OCCO2 ZINC000023066198 343058292 /nfs/dbraw/zinc/05/82/92/343058292.db2.gz NRHPOGFPKHOARC-ZJUUUORDSA-N 1 0 223.276 0.679 10 0 BCAERO Cc1cnn(CCNC(=O)CCCC[NH3+])c1 ZINC000235803058 343064376 /nfs/dbraw/zinc/06/43/76/343064376.db2.gz XNIVMPXPFKVWAF-UHFFFAOYSA-N 1 0 224.308 0.437 10 0 BCAERO NC(=S)C[N@@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000043425442 343066836 /nfs/dbraw/zinc/06/68/36/343066836.db2.gz KSNTXMSSLCAQSC-YUMQZZPRSA-N 1 0 200.307 0.526 10 0 BCAERO COc1cc(O)cc(OC)c1[C@H]([NH3+])CO ZINC000072198192 343069286 /nfs/dbraw/zinc/06/92/86/343069286.db2.gz WBNXXWXLLXKXAE-SSDOTTSWSA-N 1 0 213.233 0.402 10 0 BCAERO COc1cc([C@H](N)C[NH3+])ccc1OC(C)=O ZINC000072201103 343069647 /nfs/dbraw/zinc/06/96/47/343069647.db2.gz YIRZRSWSFCJZOY-SECBINFHSA-N 1 0 224.260 0.579 10 0 BCAERO O=C(NCCOC(F)(F)F)[C@H]1CC[NH2+]C1 ZINC000398135922 343070604 /nfs/dbraw/zinc/07/06/04/343070604.db2.gz REQXJAKHOQNNLH-LURJTMIESA-N 1 0 226.198 0.249 10 0 BCAERO Nc1n[nH]c(SC[C@H]2CCC[NH2+]C2)n1 ZINC000043471841 343083720 /nfs/dbraw/zinc/08/37/20/343083720.db2.gz YZOPHRLOIIJEOK-LURJTMIESA-N 1 0 213.310 0.479 10 0 BCAERO CC[NH2+]C[C@@H](O)C[C@](O)(CC)C1CC1 ZINC000584883079 343085791 /nfs/dbraw/zinc/08/57/91/343085791.db2.gz GHXFCWPKXGDWGZ-WDEREUQCSA-N 1 0 201.310 0.898 10 0 BCAERO CC[NH2+]C[C@@H](O)C[C@@](C)(O)C1CCOCC1 ZINC000584883007 343086003 /nfs/dbraw/zinc/08/60/03/343086003.db2.gz DRDPCGQCFWBNGJ-NWDGAFQWSA-N 1 0 231.336 0.525 10 0 BCAERO CN1CC[NH+](C2(CNC=O)CCCCC2)CC1 ZINC000142034316 343104166 /nfs/dbraw/zinc/10/41/66/343104166.db2.gz OWJXORGSINOQRE-UHFFFAOYSA-N 1 0 239.363 0.683 10 0 BCAERO CC(C)C[C@@H](CO)[NH2+]C[C@@H](O)C(F)(F)F ZINC000082680905 362100284 /nfs/dbraw/zinc/10/02/84/362100284.db2.gz GSJIIHVYQFWXNT-JGVFFNPUSA-N 1 0 229.242 0.906 10 0 BCAERO COC(=O)CCN1CC[N@@H+]2CCC[C@H]2C1 ZINC000247171283 343122773 /nfs/dbraw/zinc/12/27/73/343122773.db2.gz MWSPDVKKLISGKP-JTQLQIEISA-N 1 0 212.293 0.330 10 0 BCAERO COC(=O)CCN1CC[N@@H+]2CCCC[C@H]2C1 ZINC000246881154 343122852 /nfs/dbraw/zinc/12/28/52/343122852.db2.gz DPLGICMIAABTGA-NSHDSACASA-N 1 0 226.320 0.720 10 0 BCAERO CC(C)C[C@H](CN(C)C)[NH2+]C[C@H](C)O ZINC000049555752 343111527 /nfs/dbraw/zinc/11/15/27/343111527.db2.gz UIPATMXMVHCQPG-WDEREUQCSA-N 1 0 202.342 0.933 10 0 BCAERO CCOC(=O)CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000247203496 343122791 /nfs/dbraw/zinc/12/27/91/343122791.db2.gz PDAQKVPTIJIDRD-JTQLQIEISA-N 1 0 212.293 0.330 10 0 BCAERO C[C@H](CCCC[NH3+])NC(=O)c1nnc[nH]1 ZINC000308870115 346927635 /nfs/dbraw/zinc/92/76/35/346927635.db2.gz YPHREIDGGIVYOQ-SSDOTTSWSA-N 1 0 211.269 0.052 10 0 BCAERO C[C@@H](C(N)=S)[N@@H+]1CCOC(C)(C)C1 ZINC000043514121 343115648 /nfs/dbraw/zinc/11/56/48/343115648.db2.gz RPSAVRQCJKOQJB-ZETCQYMHSA-N 1 0 202.323 0.772 10 0 BCAERO C[C@@H](C(N)=S)[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000043514065 343115738 /nfs/dbraw/zinc/11/57/38/343115738.db2.gz SILJKJDBGONGPF-PRJMDXOYSA-N 1 0 202.323 0.770 10 0 BCAERO C[C@@H](C(N)=S)[N@@H+]1CCCN(C)CC1 ZINC000043513951 343115752 /nfs/dbraw/zinc/11/57/52/343115752.db2.gz YSIMEVSNEHBLJF-QMMMGPOBSA-N 1 0 201.339 0.299 10 0 BCAERO C[C@H](C(N)=S)[N@@H+]1CCOCC1(C)C ZINC000043514332 343116477 /nfs/dbraw/zinc/11/64/77/343116477.db2.gz YSIXMMNTGBTHMX-SSDOTTSWSA-N 1 0 202.323 0.772 10 0 BCAERO CC[C@@H](O)CCNC(=O)[C@@]1(C)CCC[NH2+]1 ZINC000120411696 343123018 /nfs/dbraw/zinc/12/30/18/343123018.db2.gz SGUYBTCOQFNHCE-MWLCHTKSSA-N 1 0 214.309 0.406 10 0 BCAERO CC[C@H](C(N)=S)[N@@H+]1CCOC[C@@H]1C ZINC000043539827 343132541 /nfs/dbraw/zinc/13/25/41/343132541.db2.gz VVCLJJYYGCTZFX-JGVFFNPUSA-N 1 0 202.323 0.772 10 0 BCAERO Cn1cc(CCNC(=O)[C@@]2(C)CCC[NH2+]2)cn1 ZINC000128156075 343179667 /nfs/dbraw/zinc/17/96/67/343179667.db2.gz BYLWOSSAYYFPFY-GFCCVEGCSA-N 1 0 236.319 0.221 10 0 BCAERO CN(CC1CC1)C(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000131238930 343183253 /nfs/dbraw/zinc/18/32/53/343183253.db2.gz FFFMFYIACLQJEJ-UHFFFAOYSA-N 1 0 239.363 0.539 10 0 BCAERO C[C@H]1C[NH2+]CCN1c1ccc2nccnc2n1 ZINC000094726333 343157088 /nfs/dbraw/zinc/15/70/88/343157088.db2.gz MTKBGENKAGHSFQ-VIFPVBQESA-N 1 0 229.287 0.823 10 0 BCAERO [NH3+]C[C@@H]1CCCN1C(=O)CCc1cccnc1 ZINC000122319399 343158909 /nfs/dbraw/zinc/15/89/09/343158909.db2.gz PSCFFFDGXYDGDC-LBPRGKRZSA-N 1 0 233.315 0.964 10 0 BCAERO C[C@H]1CN(CC(=O)N(C)c2ccccc2)C[C@H]1[NH3+] ZINC000261551752 136272521 /nfs/dbraw/zinc/27/25/21/136272521.db2.gz XHVKEUYPXQDXTK-WCQYABFASA-N 1 0 247.342 0.928 10 0 BCAERO C[C@H]1C[C@@H]([NH3+])CCN1C(=O)[C@@H]1CCCO1 ZINC000133637751 343185654 /nfs/dbraw/zinc/18/56/54/343185654.db2.gz IECBNUGELGCMIR-GUBZILKMSA-N 1 0 212.293 0.504 10 0 BCAERO C[NH2+][C@H]1CCN(c2ncnc3c2CCC3)C1 ZINC000150253619 343197027 /nfs/dbraw/zinc/19/70/27/343197027.db2.gz KUAIVIYTGMYONC-VIFPVBQESA-N 1 0 218.304 0.763 10 0 BCAERO Nc1ccc(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)nc1 ZINC000156804107 343198646 /nfs/dbraw/zinc/19/86/46/343198646.db2.gz WBZFCRNQQUHTFS-LLVKDONJSA-N 1 0 246.314 0.584 10 0 BCAERO CC1CC(NC(=O)C(C)(C)N2CC[NH2+]CC2)C1 ZINC000157021564 343199421 /nfs/dbraw/zinc/19/94/21/343199421.db2.gz AOZMXEAESOCFAC-UHFFFAOYSA-N 1 0 239.363 0.585 10 0 BCAERO CC[NH2+]CCCNc1nnc(C)c(C)n1 ZINC000158970227 343201403 /nfs/dbraw/zinc/20/14/03/343201403.db2.gz MKBZUOBEXCYVLS-UHFFFAOYSA-N 1 0 209.297 0.900 10 0 BCAERO CO[C@H]1C[NH2+][C@@H](C(=O)NCCC(C)(C)C)C1 ZINC000159127890 343202001 /nfs/dbraw/zinc/20/20/01/343202001.db2.gz XQCMHDSLXLDXGL-NXEZZACHSA-N 1 0 228.336 0.916 10 0 BCAERO CN(C)C(=O)CCC[N@@H+]1CC[C@H](CCO)C1 ZINC000159774920 343202341 /nfs/dbraw/zinc/20/23/41/343202341.db2.gz UGOIFMJRXYVKHU-LLVKDONJSA-N 1 0 228.336 0.559 10 0 BCAERO CCC(CC)(CO)C[NH2+]CC1(O)CCOCC1 ZINC000161645531 343204551 /nfs/dbraw/zinc/20/45/51/343204551.db2.gz RGQMIDXDDXUVQF-UHFFFAOYSA-N 1 0 245.363 0.916 10 0 BCAERO CN(C(=O)C[C@@H]1CCC[NH2+]C1)[C@H]1CCOC1 ZINC000134690508 343195043 /nfs/dbraw/zinc/19/50/43/343195043.db2.gz OIKYDQHONJVAGC-QWRGUYRKSA-N 1 0 226.320 0.623 10 0 BCAERO CCC[C@H](CC)NC(=O)[C@@H]([NH3+])COC ZINC000088004028 136282748 /nfs/dbraw/zinc/28/27/48/136282748.db2.gz ORJUKYPAOMQEGA-IUCAKERBSA-N 1 0 202.298 0.655 10 0 BCAERO CCC[C@@H](CC)NC(=O)[C@@H]([NH3+])COC ZINC000088004027 136282934 /nfs/dbraw/zinc/28/29/34/136282934.db2.gz ORJUKYPAOMQEGA-BDAKNGLRSA-N 1 0 202.298 0.655 10 0 BCAERO COC[C@H]([NH3+])C(=O)NC1(C)CCCC1 ZINC000088003712 136283005 /nfs/dbraw/zinc/28/30/05/136283005.db2.gz UAUKLYBWKOPHLM-QMMMGPOBSA-N 1 0 200.282 0.409 10 0 BCAERO CC[N@@H+]1CCC[C@@H]1CNC(=O)n1ccnc1 ZINC000032628610 343238878 /nfs/dbraw/zinc/23/88/78/343238878.db2.gz UZOJRKIEBJHXSL-SNVBAGLBSA-N 1 0 222.292 0.925 10 0 BCAERO CSCCCNC(=O)[C@H]1C[NH2+]C[C@H]1C ZINC000069013854 343256700 /nfs/dbraw/zinc/25/67/00/343256700.db2.gz WRLKLFURGUWWLH-BDAKNGLRSA-N 1 0 216.350 0.711 10 0 BCAERO C[C@@]1(C(=O)NCC(F)F)CCC[C@H]1[NH3+] ZINC000134944988 343265997 /nfs/dbraw/zinc/26/59/97/343265997.db2.gz SOWHPCWFYAAOQG-HZGVNTEJSA-N 1 0 206.236 0.885 10 0 BCAERO C[C@]1(C(=O)NCC(F)F)CCC[C@H]1[NH3+] ZINC000134944969 343266109 /nfs/dbraw/zinc/26/61/09/343266109.db2.gz SOWHPCWFYAAOQG-MUWHJKNJSA-N 1 0 206.236 0.885 10 0 BCAERO CN(C)C(=O)CCC[NH2+][C@@H]1CCCC[C@H]1O ZINC000052015257 343280877 /nfs/dbraw/zinc/28/08/77/343280877.db2.gz RFWMYXIEIVVFLP-GHMZBOCLSA-N 1 0 228.336 0.748 10 0 BCAERO COc1ccnc(NC[C@H]([NH3+])C(C)C)n1 ZINC000070010496 343297014 /nfs/dbraw/zinc/29/70/14/343297014.db2.gz KKEZUDHSSUTYES-QMMMGPOBSA-N 1 0 210.281 0.880 10 0 BCAERO Cc1cc(C(=O)N2CC[C@@H]([NH+](C)C)C2)n(C)n1 ZINC000035956230 343305645 /nfs/dbraw/zinc/30/56/45/343305645.db2.gz SURGHBQKYMUCHB-SNVBAGLBSA-N 1 0 236.319 0.505 10 0 BCAERO [NH3+][C@@H]1CCCC[C@@H]1NC(=O)c1cnccn1 ZINC000038048879 343367717 /nfs/dbraw/zinc/36/77/17/343367717.db2.gz PGTBNAGDCRALEG-BDAKNGLRSA-N 1 0 220.276 0.476 10 0 BCAERO CCS(=O)(=O)N[C@H]1CCCC[C@@H]1[NH3+] ZINC000038050038 343368137 /nfs/dbraw/zinc/36/81/37/343368137.db2.gz VFLWDJMYKYCTDQ-YUMQZZPRSA-N 1 0 206.311 0.196 10 0 BCAERO CC(C)([NH3+])c1cn(Cc2ccns2)nn1 ZINC000641067579 362178587 /nfs/dbraw/zinc/17/85/87/362178587.db2.gz YVQCGLFPGKAIJL-UHFFFAOYSA-N 1 0 223.305 0.977 10 0 BCAERO C[C@@H]1CN(S(=O)(=O)C2(C)CC2)C[C@@H]1[NH3+] ZINC000335658438 136307419 /nfs/dbraw/zinc/30/74/19/136307419.db2.gz XKUHWSNYTHTKQW-SFYZADRCSA-N 1 0 218.322 0.148 10 0 BCAERO CCOC(=O)CCNC(=O)C1CCC([NH3+])CC1 ZINC000041679927 343422621 /nfs/dbraw/zinc/42/26/21/343422621.db2.gz DEYVANYYBPLLLP-UHFFFAOYSA-N 1 0 242.319 0.573 10 0 BCAERO CCOCCN(CC)C(=O)[C@H]1CC[NH2+]C1 ZINC000082538378 343449426 /nfs/dbraw/zinc/44/94/26/343449426.db2.gz XCCWMPYXSFMRKF-JTQLQIEISA-N 1 0 214.309 0.481 10 0 BCAERO C/C=C/CNC(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000395072079 362229233 /nfs/dbraw/zinc/22/92/33/362229233.db2.gz YTLKBZMHSHZUOT-SNAWJCMRSA-N 1 0 225.336 0.363 10 0 BCAERO Cc1nccc(CNC[C@@H](C)[NH+](C)C)n1 ZINC000054790794 136373170 /nfs/dbraw/zinc/37/31/70/136373170.db2.gz WVVYERXURBTARI-SECBINFHSA-N 1 0 208.309 0.825 10 0 BCAERO Cc1nccc(C[NH2+]CCn2ccnc2)n1 ZINC000054790832 136373187 /nfs/dbraw/zinc/37/31/87/136373187.db2.gz CIVHBFFACSNQGO-UHFFFAOYSA-N 1 0 217.276 0.771 10 0 BCAERO CCOC(=O)N1CCOC[C@H]1CC[NH3+] ZINC000219944526 343444399 /nfs/dbraw/zinc/44/43/99/343444399.db2.gz XIUYYJDRWQAOKX-MRVPVSSYSA-N 1 0 202.254 0.193 10 0 BCAERO [NH3+]C[C@@H]1CCCN1C(=O)C[C@@H]1CCCO1 ZINC000083525657 343488448 /nfs/dbraw/zinc/48/84/48/343488448.db2.gz FTJMOLZHCPMTLR-UWVGGRQHSA-N 1 0 212.293 0.505 10 0 BCAERO CC[C@H](O)[C@@H](C)[N@@H+]1CCCN(C)CC1 ZINC000044124854 343491999 /nfs/dbraw/zinc/49/19/99/343491999.db2.gz PLTYBEWKEVVPHP-MNOVXSKESA-N 1 0 200.326 0.783 10 0 BCAERO Cc1cc(NC(=O)[C@@H]2CC[C@H]([NH3+])C2)n[nH]1 ZINC000085013274 343462309 /nfs/dbraw/zinc/46/23/09/343462309.db2.gz NLFFDNITALEPPD-SFYZADRCSA-N 1 0 208.265 0.784 10 0 BCAERO Cc1cc([C@H](O)C[NH2+]CCO)ccc1[N+](=O)[O-] ZINC000150005608 343463435 /nfs/dbraw/zinc/46/34/35/343463435.db2.gz QOUOQTJILTVNBW-LLVKDONJSA-N 1 0 240.259 0.519 10 0 BCAERO CC(=O)N1CCOC[C@H](c2c[nH]cn2)C1 ZINC000616664245 343533547 /nfs/dbraw/zinc/53/35/47/343533547.db2.gz RNDDCHUHAOUYGJ-SECBINFHSA-N 1 0 209.249 0.372 10 0 BCAERO [NH3+]CCN1CCO[C@H](c2ncccn2)CC1 ZINC000616665773 343533919 /nfs/dbraw/zinc/53/39/19/343533919.db2.gz WRKAKMWIVQSEJD-JTQLQIEISA-N 1 0 222.292 0.199 10 0 BCAERO Cc1nc[nH]c1CNC(=O)C[C@H]1CCC[NH2+]C1 ZINC000379973055 365770150 /nfs/dbraw/zinc/77/01/50/365770150.db2.gz ODQRFZKQUBXMNJ-SNVBAGLBSA-N 1 0 236.319 0.724 10 0 BCAERO C[C@H]([NH2+][C@@H]1CCOC[C@@H]1O)c1cncs1 ZINC000624237228 343583042 /nfs/dbraw/zinc/58/30/42/343583042.db2.gz SBWAMMHWNLYJMN-YIZRAAEISA-N 1 0 228.317 0.944 10 0 BCAERO COC1CCC([NH2+][C@@H]2CCOC[C@@H]2O)CC1 ZINC000624238671 343585675 /nfs/dbraw/zinc/58/56/75/343585675.db2.gz WFLMRJUSTVWXLF-HCWSGVFWSA-N 1 0 229.320 0.683 10 0 BCAERO C[N@H+](C[C@@H]1CCC[C@@H]1O)CC(C)(C)O ZINC000086275030 343616752 /nfs/dbraw/zinc/61/67/52/343616752.db2.gz IUXIGUVUBPDUHJ-UWVGGRQHSA-N 1 0 201.310 0.850 10 0 BCAERO COC(=O)CCN1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000379800921 343629136 /nfs/dbraw/zinc/62/91/36/343629136.db2.gz MEHMSFDINSWKKK-ZJUUUORDSA-N 1 0 212.293 0.233 10 0 BCAERO [NH3+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCOC2)C1 ZINC000227573604 537794476 /nfs/dbraw/zinc/79/44/76/537794476.db2.gz RSOFFEVFGUKBTJ-IVZWLZJFSA-N 1 0 212.293 0.267 10 0 BCAERO CCCS(=O)(=O)NC[C@H]1CC[C@H]([NH3+])C1 ZINC000227628929 537795303 /nfs/dbraw/zinc/79/53/03/537795303.db2.gz SQRUOHBPMUIZES-IUCAKERBSA-N 1 0 220.338 0.443 10 0 BCAERO [NH3+]C[C@@H](COc1ccccc1)N1CCOCC1 ZINC000020400994 343634197 /nfs/dbraw/zinc/63/41/97/343634197.db2.gz ICYGHCFXYNUIJU-LBPRGKRZSA-N 1 0 236.315 0.725 10 0 BCAERO CCOC(=O)Cn1ccc2c[nH+]c(N)nc21 ZINC000206266610 343678860 /nfs/dbraw/zinc/67/88/60/343678860.db2.gz BNTZFXAEHZPCRQ-UHFFFAOYSA-N 1 0 220.232 0.577 10 0 BCAERO CCOCCCC(=O)N1CCC[C@H]1C[NH3+] ZINC000087438724 343649240 /nfs/dbraw/zinc/64/92/40/343649240.db2.gz BKYIVGGLDWCZGB-JTQLQIEISA-N 1 0 214.309 0.753 10 0 BCAERO C[C@@H]1CN2C(=[NH+]CC[C@H]2[C@H]2CCCO2)N1 ZINC000300017710 537801550 /nfs/dbraw/zinc/80/15/50/537801550.db2.gz RPWTVCLSCHMCGE-KXUCPTDWSA-N 1 0 209.293 0.587 10 0 BCAERO COC(=O)CCC[N@H+](C)C[C@@H]1CN(C)CCO1 ZINC000083663462 343653327 /nfs/dbraw/zinc/65/33/27/343653327.db2.gz YPRYABHHZOKJRY-LLVKDONJSA-N 1 0 244.335 0.202 10 0 BCAERO C[C@@]1(CNC(=O)[C@H]2CC[NH2+]C2)CCCS1 ZINC000087796644 343660754 /nfs/dbraw/zinc/66/07/54/343660754.db2.gz FCJWIYSZZKEEOE-ONGXEEELSA-N 1 0 228.361 0.998 10 0 BCAERO COc1ncc(Cl)c(NCCC[NH3+])n1 ZINC000087798778 343661792 /nfs/dbraw/zinc/66/17/92/343661792.db2.gz NQYPLJULPFDCPP-UHFFFAOYSA-N 1 0 216.672 0.899 10 0 BCAERO NC(=O)[C@@]([NH3+])(Cn1cc(Cl)cn1)C1CC1 ZINC000068943227 537803513 /nfs/dbraw/zinc/80/35/13/537803513.db2.gz GXYBZKDUGHDCCZ-SECBINFHSA-N 1 0 228.683 0.129 10 0 BCAERO NC(=O)[C@]([NH3+])(Cn1cc(Cl)cn1)C1CC1 ZINC000068943229 537804158 /nfs/dbraw/zinc/80/41/58/537804158.db2.gz GXYBZKDUGHDCCZ-VIFPVBQESA-N 1 0 228.683 0.129 10 0 BCAERO [NH3+]C[C@@H]1CCCN1C(=O)[C@H]1CCCCO1 ZINC000082590194 133503057 /nfs/dbraw/zinc/50/30/57/133503057.db2.gz ANDXOEXBEIRRAN-VHSXEESVSA-N 1 0 212.293 0.505 10 0 BCAERO OCC[C@@H]1C[NH+]=C2N[C@H]3CCCC[C@H]3N2C1 ZINC000300017695 537802767 /nfs/dbraw/zinc/80/27/67/537802767.db2.gz RJQZJBGFNAAMQT-OUAUKWLOSA-N 1 0 223.320 0.571 10 0 BCAERO CCN(CC1CC1)C(=O)[C@@H]([NH3+])COC ZINC000088004420 343688002 /nfs/dbraw/zinc/68/80/02/343688002.db2.gz VGLFNNMJINJKIQ-VIFPVBQESA-N 1 0 200.282 0.219 10 0 BCAERO COC[C@@H]([NH3+])C(=O)NC1CCCCC1 ZINC000088002100 343689369 /nfs/dbraw/zinc/68/93/69/343689369.db2.gz XYAQNVGXPNJCPT-SECBINFHSA-N 1 0 200.282 0.409 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N(C)C1CCCC1 ZINC000088002637 343689437 /nfs/dbraw/zinc/68/94/37/343689437.db2.gz BUYDDPSQGXZLJM-SECBINFHSA-N 1 0 200.282 0.361 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N1CCCCCC1 ZINC000088002205 343689483 /nfs/dbraw/zinc/68/94/83/343689483.db2.gz GYZVJWLRJNVPBF-SECBINFHSA-N 1 0 200.282 0.363 10 0 BCAERO CC(=O)N[C@@H](CN1CC[NH2+]CC1)c1ccccc1 ZINC000059732123 343712377 /nfs/dbraw/zinc/71/23/77/343712377.db2.gz PPUKSJMCIYMJFW-AWEZNQCLSA-N 1 0 247.342 0.769 10 0 BCAERO [NH3+]CC(=O)Cc1cncc(Br)c1 ZINC000167764651 346967193 /nfs/dbraw/zinc/96/71/93/346967193.db2.gz BULQDWIXKAKVGX-UHFFFAOYSA-N 1 0 229.077 0.914 10 0 BCAERO CCOC(=O)[C@H](C)CNC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000262627209 349859360 /nfs/dbraw/zinc/85/93/60/349859360.db2.gz JCAUBYAYLVVHBL-BBBLOLIVSA-N 1 0 242.319 0.429 10 0 BCAERO C[C@H](O)C[C@H](C)CNC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000262628169 349860272 /nfs/dbraw/zinc/86/02/72/349860272.db2.gz MBYHTYKMSRSPKE-NAKRPEOUSA-N 1 0 228.336 0.637 10 0 BCAERO CC(C)(C)C(=[NH2+])N1CCS(=O)(=O)CC1 ZINC000062990696 343747465 /nfs/dbraw/zinc/74/74/65/343747465.db2.gz JBZDXYIUYQRRGM-UHFFFAOYSA-N 1 0 218.322 0.740 10 0 BCAERO c1cnc(N2CC[C@@H]3[NH2+]CC[C@@H]3C2)nc1 ZINC000253184411 343796261 /nfs/dbraw/zinc/79/62/61/343796261.db2.gz NSUBKJAZGVOGCI-ZJUUUORDSA-N 1 0 204.277 0.665 10 0 BCAERO c1cnc(N2CC[C@@H]3[NH2+]CC[C@H]3C2)nc1 ZINC000253184408 343796275 /nfs/dbraw/zinc/79/62/75/343796275.db2.gz NSUBKJAZGVOGCI-UWVGGRQHSA-N 1 0 204.277 0.665 10 0 BCAERO CCOC(=O)[C@H](C[NH3+])C1CCOCC1 ZINC000238251439 537820294 /nfs/dbraw/zinc/82/02/94/537820294.db2.gz QPNQBGCMEVCVDP-SECBINFHSA-N 1 0 201.266 0.551 10 0 BCAERO [NH3+][C@H]1CCC2(C[C@H]1n1cncn1)OCCO2 ZINC000023071977 344039036 /nfs/dbraw/zinc/03/90/36/344039036.db2.gz QYKVNQUSVUUAKR-DTWKUNHWSA-N 1 0 224.264 0.074 10 0 BCAERO C[C@@]1(NC(=O)CC(F)(F)F)CC[NH2+]C1 ZINC000230732581 347001114 /nfs/dbraw/zinc/00/11/14/347001114.db2.gz HCPBWMXPIRUYNL-SSDOTTSWSA-N 1 0 210.199 0.807 10 0 BCAERO [NH3+][C@@H]1CCN(CC=C(Cl)Cl)C1=O ZINC000407350358 343891600 /nfs/dbraw/zinc/89/16/00/343891600.db2.gz HGLGNDBVMPSNPR-RXMQYKEDSA-N 1 0 209.076 0.865 10 0 BCAERO Cc1cc(CNC(=O)[C@H]2CCC[C@@H]2[NH3+])on1 ZINC000082921570 133508573 /nfs/dbraw/zinc/50/85/73/133508573.db2.gz AJPUHHKVYXLDNV-UWVGGRQHSA-N 1 0 223.276 0.727 10 0 BCAERO CC(C)(C)[C@@H](O)C[NH2+]CC[C@H](O)C(F)F ZINC000634726215 343951377 /nfs/dbraw/zinc/95/13/77/343951377.db2.gz NMRXGBBYHALBBY-YUMQZZPRSA-N 1 0 225.279 0.999 10 0 BCAERO C[C@]1(CN2CCS(=O)CC2)CCC[NH2+]1 ZINC000070619783 343953554 /nfs/dbraw/zinc/95/35/54/343953554.db2.gz HKAHFFSDXOPISH-SNVBAGLBSA-N 1 0 216.350 0.193 10 0 BCAERO [NH3+]Cc1cn(C[C@@H](O)CCc2ccccc2)nn1 ZINC000641216572 362280087 /nfs/dbraw/zinc/28/00/87/362280087.db2.gz BOADCYXXQUTEGZ-ZDUSSCGKSA-N 1 0 246.314 0.731 10 0 BCAERO CC[N@@H+]1CCC[C@H]1CN(C)[C@@H](C)C(N)=O ZINC000092665715 343959421 /nfs/dbraw/zinc/95/94/21/343959421.db2.gz KCYQVRSLKLHTJC-UWVGGRQHSA-N 1 0 213.325 0.276 10 0 BCAERO Cc1nnc(SC[C@H]2CCC[NH2+]2)n1C ZINC000071110075 343960962 /nfs/dbraw/zinc/96/09/62/343960962.db2.gz ISZQGIDXNWRYQU-MRVPVSSYSA-N 1 0 212.322 0.968 10 0 BCAERO COC(C)(C)CN(C)C(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000573367143 344110395 /nfs/dbraw/zinc/11/03/95/344110395.db2.gz JNJDAUJLSVWOAC-DTWKUNHWSA-N 1 0 232.299 0.570 10 0 BCAERO OC[C@]1(C[NH+]2CCSCC2)CCOC1 ZINC000051292523 347026924 /nfs/dbraw/zinc/02/69/24/347026924.db2.gz VFEBFBIDDHFOFL-SNVBAGLBSA-N 1 0 217.334 0.434 10 0 BCAERO C[NH2+][C@H](C)C(=O)NCCc1ccccc1OC ZINC000082248312 344153090 /nfs/dbraw/zinc/15/30/90/344153090.db2.gz USOITEMJUFARCE-SNVBAGLBSA-N 1 0 236.315 0.962 10 0 BCAERO [NH3+][C@@H]1COC[C@H]1c1csc(CO)n1 ZINC000165844280 344156132 /nfs/dbraw/zinc/15/61/32/344156132.db2.gz GNNXVMUWYOCNMG-PHDIDXHHSA-N 1 0 200.263 0.077 10 0 BCAERO Cn1nncc1C[NH2+]C[C@H]1CCC[C@@H]1O ZINC000129786494 344215451 /nfs/dbraw/zinc/21/54/51/344215451.db2.gz RZXBUUQYKKELMN-SCZZXKLOSA-N 1 0 210.281 0.066 10 0 BCAERO Cc1ncc([C@H](C[NH3+])N2CCCOCC2)cn1 ZINC000217086607 344183870 /nfs/dbraw/zinc/18/38/70/344183870.db2.gz FSCHQKGHPKGZRH-LBPRGKRZSA-N 1 0 236.319 0.507 10 0 BCAERO CCC[C@@H](O)CNC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634751231 344201303 /nfs/dbraw/zinc/20/13/03/344201303.db2.gz NBIOCYSSZPDXPL-LOWVWBTDSA-N 1 0 240.347 0.653 10 0 BCAERO O=C([C@H]1CC[NH2+]C1)N1CCO[C@H](C(F)F)CC1 ZINC000634752911 344205312 /nfs/dbraw/zinc/20/53/12/344205312.db2.gz VBFJRHKVHLZZPL-IUCAKERBSA-N 1 0 248.273 0.479 10 0 BCAERO O=C(N[C@H]1CCOC1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000228177991 259374537 /nfs/dbraw/zinc/37/45/37/259374537.db2.gz MGLQNGIIQRBSGV-WDEREUQCSA-N 1 0 239.319 0.265 10 0 BCAERO COC[C@H]([NH3+])C(=O)NC[C@@H]1CC2CCC1CC2 ZINC000400066825 344271557 /nfs/dbraw/zinc/27/15/57/344271557.db2.gz JKRJGPIUVMKWJM-QQFIATSDSA-N 1 0 240.347 0.903 10 0 BCAERO O=C([C@H]1CSCC[NH2+]1)N1CC=CCC1 ZINC000166001755 344272257 /nfs/dbraw/zinc/27/22/57/344272257.db2.gz OBRZEVWYSJDPMX-SECBINFHSA-N 1 0 212.318 0.480 10 0 BCAERO C[C@@H](CS(C)(=O)=O)[NH2+]C[C@@H](O)C(C)(C)C ZINC000132176443 344281804 /nfs/dbraw/zinc/28/18/04/344281804.db2.gz VYBAMICBAPHDHG-DTWKUNHWSA-N 1 0 237.365 0.416 10 0 BCAERO CN(Cc1nc[nH]n1)C(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634768818 344282156 /nfs/dbraw/zinc/28/21/56/344282156.db2.gz AMYDDBUFKIBJDQ-CABZTGNLSA-N 1 0 249.318 0.153 10 0 BCAERO Cc1ocnc1CNC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634770364 344284447 /nfs/dbraw/zinc/28/44/47/344284447.db2.gz JEFQTXPEOFZJCU-GWCFXTLKSA-N 1 0 249.314 0.989 10 0 BCAERO CO[C@@H](C)CNC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634770183 344285487 /nfs/dbraw/zinc/28/54/87/344285487.db2.gz BUHUZZAZVTVSJN-NHCYSSNCSA-N 1 0 226.320 0.527 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)N1C[C@@H]2COC[C@@H]2C1 ZINC000634774523 344293892 /nfs/dbraw/zinc/29/38/92/344293892.db2.gz UUZHOAGVAYYVFE-OUAUKWLOSA-N 1 0 226.320 0.465 10 0 BCAERO [NH3+][C@@H]1CC[C@H](C(=O)N2C[C@@H]3COC[C@@H]3C2)C1 ZINC000634774069 344293897 /nfs/dbraw/zinc/29/38/97/344293897.db2.gz BJYNCZUZUNTVEC-UKKRHICBSA-N 1 0 224.304 0.219 10 0 BCAERO Cc1cc2c(N3C[C@H]([NH3+])C[C@H]3C)nccn2n1 ZINC000385085996 344320608 /nfs/dbraw/zinc/32/06/08/344320608.db2.gz IDYSFJUVNQKNEY-NXEZZACHSA-N 1 0 231.303 0.964 10 0 BCAERO Cc1nnc(C[NH2+][C@H]2CCSC2)n1C ZINC000223018475 344300128 /nfs/dbraw/zinc/30/01/28/344300128.db2.gz FHJGURFZDGHUHQ-QMMMGPOBSA-N 1 0 212.322 0.719 10 0 BCAERO [NH3+]C1CN(C(=O)c2ccoc2Cl)C1 ZINC000236168820 344305307 /nfs/dbraw/zinc/30/53/07/344305307.db2.gz KZRKLEVDOGTICW-UHFFFAOYSA-N 1 0 200.625 0.716 10 0 BCAERO COC(=O)CCN1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000600746943 344368806 /nfs/dbraw/zinc/36/88/06/344368806.db2.gz UWBCYQGYSVWUBI-TXEJJXNPSA-N 1 0 226.320 0.481 10 0 BCAERO COc1cc(C)nc(N2C[C@@H]([NH3+])C[C@H]2C)n1 ZINC000385271243 344385689 /nfs/dbraw/zinc/38/56/89/344385689.db2.gz SNYQFWGONZQCBI-BDAKNGLRSA-N 1 0 222.292 0.720 10 0 BCAERO CO[C@@H]1CN(C(=O)CCSC)[C@](C)(C[NH3+])C1 ZINC000600885122 344388235 /nfs/dbraw/zinc/38/82/35/344388235.db2.gz KWZSCUKNHYGZLS-ONGXEEELSA-N 1 0 246.376 0.704 10 0 BCAERO CC(C)SCC(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000570831853 323072066 /nfs/dbraw/zinc/07/20/66/323072066.db2.gz FMXCQCHTAIEKKC-RKDXNWHRSA-N 1 0 216.350 0.934 10 0 BCAERO CC(C)N1CC[NH+]([C@H](C)[C@@H](C)O)CC1 ZINC000044132905 344400049 /nfs/dbraw/zinc/40/00/49/344400049.db2.gz BXVGNFRLZGOHGD-GHMZBOCLSA-N 1 0 200.326 0.782 10 0 BCAERO CCS(=O)(=O)N1CCC[NH2+]C[C@H]1C ZINC000106886983 344477710 /nfs/dbraw/zinc/47/77/10/344477710.db2.gz MHHFIYKMLYTWJK-MRVPVSSYSA-N 1 0 206.311 0.020 10 0 BCAERO CSCCNC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000085013368 344494609 /nfs/dbraw/zinc/49/46/09/344494609.db2.gz FJYGJDCIBXNDOP-YUMQZZPRSA-N 1 0 202.323 0.593 10 0 BCAERO CSCCNC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000085013371 344494637 /nfs/dbraw/zinc/49/46/37/344494637.db2.gz FJYGJDCIBXNDOP-HTQZYQBOSA-N 1 0 202.323 0.593 10 0 BCAERO N#Cc1cccc(NC(=O)[C@H]2C[C@@H](O)C[NH2+]2)c1 ZINC000381602130 344525665 /nfs/dbraw/zinc/52/56/65/344525665.db2.gz BBXCBYPIPXMJAH-GHMZBOCLSA-N 1 0 231.255 0.220 10 0 BCAERO CCN1CCO[C@H](C[NH2+]C2CCOCC2)C1 ZINC000085444939 344534300 /nfs/dbraw/zinc/53/43/00/344534300.db2.gz RDGCKNYWOUEVRL-GFCCVEGCSA-N 1 0 228.336 0.476 10 0 BCAERO C[NH2+]C(C)(C)C(=O)NC1CCSCC1 ZINC000220758039 344580133 /nfs/dbraw/zinc/58/01/33/344580133.db2.gz ZAKYGOXACVRRPA-UHFFFAOYSA-N 1 0 216.350 0.996 10 0 BCAERO CCCCOC[C@H](O)C[N@@H+]1C[C@H](O)C(C)(C)C1 ZINC000387752950 347065465 /nfs/dbraw/zinc/06/54/65/347065465.db2.gz BLISIMJFSZOIDJ-NEPJUHHUSA-N 1 0 245.363 0.867 10 0 BCAERO C[C@@H]([NH3+])CC(=O)N[C@H]1CCCSC1 ZINC000158507926 344668842 /nfs/dbraw/zinc/66/88/42/344668842.db2.gz YIJGTIXXIALSDB-SFYZADRCSA-N 1 0 202.323 0.736 10 0 BCAERO OC[C@@H]1CCC[N@@H+]1C[C@@H]1CCOCO1 ZINC000050115926 344643381 /nfs/dbraw/zinc/64/33/81/344643381.db2.gz DOQFZLXXKTULDE-UWVGGRQHSA-N 1 0 201.266 0.206 10 0 BCAERO C[C@H](C(N)=S)[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000221211143 344703390 /nfs/dbraw/zinc/70/33/90/344703390.db2.gz SILJKJDBGONGPF-XLPZGREQSA-N 1 0 202.323 0.770 10 0 BCAERO CCN1CC[C@@]2(C1)[NH2+]CCc1nc[nH]c12 ZINC000400423016 537856540 /nfs/dbraw/zinc/85/65/40/537856540.db2.gz YRZHRXLIHIUDPS-NSHDSACASA-N 1 0 206.293 0.476 10 0 BCAERO CSC1(CN2CC[C@H]([NH3+])C2=O)CC1 ZINC000235058659 344754633 /nfs/dbraw/zinc/75/46/33/344754633.db2.gz SRSWWZLSYZCJJV-ZETCQYMHSA-N 1 0 200.307 0.442 10 0 BCAERO C[C@](O)(C[C@H]1COCC[NH2+]1)C(F)(F)F ZINC000166204943 344788190 /nfs/dbraw/zinc/78/81/90/344788190.db2.gz SNGQCJRZNUBQHG-BQBZGAKWSA-N 1 0 213.199 0.678 10 0 BCAERO COCC[C@@H](C)[NH2+][C@@H]1CCCNC1=O ZINC000050395552 344808173 /nfs/dbraw/zinc/80/81/73/344808173.db2.gz AEGPNDCBSZPWCX-RKDXNWHRSA-N 1 0 200.282 0.280 10 0 BCAERO CN(C(=O)C(F)(F)F)[C@@H]1CCC[NH2+]C1 ZINC000062810306 347082170 /nfs/dbraw/zinc/08/21/70/347082170.db2.gz GHSCFTWYIOXYNV-ZCFIWIBFSA-N 1 0 210.199 0.759 10 0 BCAERO C[NH2+][C@@H]1CCCN(C(=O)C(F)(F)F)C1 ZINC000062810282 347082219 /nfs/dbraw/zinc/08/22/19/347082219.db2.gz BNDUVPAHTUNXRE-ZCFIWIBFSA-N 1 0 210.199 0.759 10 0 BCAERO C[C@@H]1C[C@H]2C[NH2+]C[C@@H]2N1C(=O)C(F)(F)F ZINC000062810223 347082240 /nfs/dbraw/zinc/08/22/40/347082240.db2.gz SGNOFLHYSLBUQE-VQVTYTSYSA-N 1 0 222.210 0.758 10 0 BCAERO Cc1cn(CC[C@](C)([NH3+])C(N)=O)c(C)n1 ZINC000715151038 537865348 /nfs/dbraw/zinc/86/53/48/537865348.db2.gz MVUHAJLDNDJLDG-JTQLQIEISA-N 1 0 210.281 0.093 10 0 BCAERO CC1=CCN(S(=O)(=O)[C@@H](C)C[NH3+])CC1 ZINC000166300131 344846790 /nfs/dbraw/zinc/84/67/90/344846790.db2.gz SZTDCUREQCLMGH-VIFPVBQESA-N 1 0 218.322 0.315 10 0 BCAERO C[C@@H]1CN(C)CCC[N@@H+]1CC(N)=S ZINC000235330799 344887524 /nfs/dbraw/zinc/88/75/24/344887524.db2.gz BDWMHYNMULIMCP-MRVPVSSYSA-N 1 0 201.339 0.299 10 0 BCAERO COC[C@H]([NH3+])[C@H]1C(=O)C(C)(C)OC1(C)C ZINC000166473871 344904789 /nfs/dbraw/zinc/90/47/89/344904789.db2.gz CPHBTSVGUNOCAB-YUMQZZPRSA-N 1 0 215.293 0.733 10 0 BCAERO COC[C@@H]([NH3+])[C@@H]1C(=O)C(C)(C)OC1(C)C ZINC000166473544 344906437 /nfs/dbraw/zinc/90/64/37/344906437.db2.gz CPHBTSVGUNOCAB-HTQZYQBOSA-N 1 0 215.293 0.733 10 0 BCAERO CN1CC[C@@H]([NH2+]C[C@H](O)C(C)(C)C)C1=O ZINC000308797073 323081109 /nfs/dbraw/zinc/08/11/09/323081109.db2.gz KUCBFCGSQVWLGY-BDAKNGLRSA-N 1 0 214.309 0.214 10 0 BCAERO C[C@H](C[C@H](C)O)[N@@H+]1CCN(C)C[C@@H]1C ZINC000235534802 344932450 /nfs/dbraw/zinc/93/24/50/344932450.db2.gz TWVHVZDHACKZSG-VWYCJHECSA-N 1 0 200.326 0.782 10 0 BCAERO C[C@H](CNC(=O)OC(C)(C)C)[NH2+][C@H](C)C(N)=O ZINC000235470056 344918762 /nfs/dbraw/zinc/91/87/62/344918762.db2.gz SFRVUMVIVQXCJG-HTQZYQBOSA-N 1 0 245.323 0.363 10 0 BCAERO CC[NH2+][C@@](C)(Cn1nccc1C)C(N)=O ZINC000070687155 537878146 /nfs/dbraw/zinc/87/81/46/537878146.db2.gz LLIWRXVRYYJSOY-JTQLQIEISA-N 1 0 210.281 0.045 10 0 BCAERO C[C@@H]1C[C@H]1C[NH2+][C@H]1COC[C@H]1n1ccnn1 ZINC000378752515 344944039 /nfs/dbraw/zinc/94/40/39/344944039.db2.gz VWAAFIMRIYPUFG-VPOLOUISSA-N 1 0 222.292 0.464 10 0 BCAERO COc1cc([C@@H]([NH3+])CCO)cc(OC)c1O ZINC000044232382 344988198 /nfs/dbraw/zinc/98/81/98/344988198.db2.gz JRJRSZSUPFJJHG-QMMMGPOBSA-N 1 0 227.260 0.792 10 0 BCAERO Cc1ccc(O)c(C[NH2+][C@H]2CCCNC2=O)n1 ZINC000112716921 178799786 /nfs/dbraw/zinc/79/97/86/178799786.db2.gz LAGFNVRENDBGIR-VIFPVBQESA-N 1 0 235.287 0.464 10 0 BCAERO COC[C@H](C)C(=O)N(C)[C@@H]1CCC[N@H+](C)C1 ZINC000153924114 345002616 /nfs/dbraw/zinc/00/26/16/345002616.db2.gz KKLIGIIJGIPWOU-WDEREUQCSA-N 1 0 228.336 0.822 10 0 BCAERO OCCc1ccc([C@H]2C[NH2+]CCN2)cc1 ZINC000044381498 345046311 /nfs/dbraw/zinc/04/63/11/345046311.db2.gz AZTHRFYONVZSJS-GFCCVEGCSA-N 1 0 206.289 0.455 10 0 BCAERO NC(=S)[C@H]1CCC[N@@H+]1[C@@H]1CCCOC1 ZINC000224849716 345017769 /nfs/dbraw/zinc/01/77/69/345017769.db2.gz KBMKEWRHWCNADU-RKDXNWHRSA-N 1 0 214.334 0.916 10 0 BCAERO C(O[C@@H]1CCCOC1)[C@H]1C[NH2+]CCO1 ZINC000224925815 345045168 /nfs/dbraw/zinc/04/51/68/345045168.db2.gz RKMVLRYGIIFZQD-NXEZZACHSA-N 1 0 201.266 0.170 10 0 BCAERO C[C@H]1CN(C[C@@H]([NH3+])C2CC2)S(=O)(=O)C1 ZINC000224969841 345056811 /nfs/dbraw/zinc/05/68/11/345056811.db2.gz SNXHRCGLIPMCBQ-IONNQARKSA-N 1 0 218.322 0.005 10 0 BCAERO C[C@H]1CC[C@H](C(=O)NCC[NH+](C)C)O1 ZINC000154951055 345060767 /nfs/dbraw/zinc/06/07/67/345060767.db2.gz RPSUFKCOFQRBFD-DTWKUNHWSA-N 1 0 200.282 0.232 10 0 BCAERO Cn1ncc(Br)c1[C@@H](N)C[NH3+] ZINC000044470937 345089960 /nfs/dbraw/zinc/08/99/60/345089960.db2.gz GMOBGNCGAOANMQ-YFKPBYRVSA-N 1 0 219.086 0.141 10 0 BCAERO Cc1nnc([C@H]2CN(CC3CC3)CCO2)[nH]1 ZINC000156556082 345175321 /nfs/dbraw/zinc/17/53/21/345175321.db2.gz OHGTYOZKXSHSPD-SNVBAGLBSA-N 1 0 222.292 0.896 10 0 BCAERO Cc1nnc([C@@H]2CN(CC3CC3)CCO2)[nH]1 ZINC000156555964 345175798 /nfs/dbraw/zinc/17/57/98/345175798.db2.gz OHGTYOZKXSHSPD-JTQLQIEISA-N 1 0 222.292 0.896 10 0 BCAERO c1cn2c(n1)CN(CC13CC(C1)C[NH2+]3)CC2 ZINC000634993705 345192036 /nfs/dbraw/zinc/19/20/36/345192036.db2.gz CKPZXDKGBPFTCP-UHFFFAOYSA-N 1 0 218.304 0.451 10 0 BCAERO Cc1c[nH]nc1CN1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000634999720 345200299 /nfs/dbraw/zinc/20/02/99/345200299.db2.gz YHNKYDXKAGQLTG-ZJUUUORDSA-N 1 0 208.309 0.745 10 0 BCAERO Cc1c[nH]nc1CN1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000634999718 345200447 /nfs/dbraw/zinc/20/04/47/345200447.db2.gz YHNKYDXKAGQLTG-UWVGGRQHSA-N 1 0 208.309 0.745 10 0 BCAERO CCCCNC(=O)N1CCC2(C[NH2+]C2)C1 ZINC000675054335 537894521 /nfs/dbraw/zinc/89/45/21/537894521.db2.gz SGYQILXVEYCQCB-UHFFFAOYSA-N 1 0 211.309 0.791 10 0 BCAERO CCn1ccnc1CC1=C[C@@H](N)C[NH2+]C1 ZINC000675077785 537895241 /nfs/dbraw/zinc/89/52/41/537895241.db2.gz IRYURIPPSQGSLN-SNVBAGLBSA-N 1 0 206.293 0.302 10 0 BCAERO C[C@@H]([NH2+]C[C@H]1CNC(=O)O1)C1CCOCC1 ZINC000381336660 345384897 /nfs/dbraw/zinc/38/48/97/345384897.db2.gz VYFUGQYPZQDSOZ-SCZZXKLOSA-N 1 0 228.292 0.500 10 0 BCAERO COCc1cccc(NC(=O)[C@H]([NH3+])COC)c1 ZINC000159646795 345452446 /nfs/dbraw/zinc/45/24/46/345452446.db2.gz YILZMULJUCQUQA-LLVKDONJSA-N 1 0 238.287 0.745 10 0 BCAERO C[C@@H]1OCC[C@@H]1N(C)C(=O)C(C)(C)[NH3+] ZINC000134679574 345418944 /nfs/dbraw/zinc/41/89/44/345418944.db2.gz QTAKKCXLSZXUNJ-YUMQZZPRSA-N 1 0 200.282 0.360 10 0 BCAERO COC[C@@H]([NH3+])C(=O)NCCc1cccc(C)c1 ZINC000159886938 345586539 /nfs/dbraw/zinc/58/65/39/345586539.db2.gz CZFQMSWYBTYHOM-GFCCVEGCSA-N 1 0 236.315 0.627 10 0 BCAERO O=C1CC[C@@H](C[NH2+]Cc2ccc(O)cc2F)N1 ZINC000404075896 537903279 /nfs/dbraw/zinc/90/32/79/537903279.db2.gz NLGGWRCRKIPBTD-VIFPVBQESA-N 1 0 238.262 0.900 10 0 BCAERO COC[C@@H]([NH3+])C(=O)NCc1cc(F)ccc1F ZINC000159933743 345694335 /nfs/dbraw/zinc/69/43/35/345694335.db2.gz OGDKNMKKKBZJPI-SNVBAGLBSA-N 1 0 244.241 0.555 10 0 BCAERO Cc1ccc([C@H](O)CNC(=O)CCC[NH3+])cc1 ZINC000237619534 178912759 /nfs/dbraw/zinc/91/27/59/178912759.db2.gz WGWRLZAAILGVPW-GFCCVEGCSA-N 1 0 236.315 0.884 10 0 BCAERO CCOC[C@@H]([NH3+])CNC(=O)OC(C)(C)C ZINC000150218038 345757284 /nfs/dbraw/zinc/75/72/84/345757284.db2.gz TUPZGETZQBBJAC-QMMMGPOBSA-N 1 0 218.297 0.875 10 0 BCAERO CC[C@H](C(N)=O)N1C[C@H](C)OC[C@@H]1C ZINC000061679054 345810159 /nfs/dbraw/zinc/81/01/59/345810159.db2.gz YUGQIMQWNWADCQ-XHNCKOQMSA-N 1 0 200.282 0.360 10 0 BCAERO C[C@H]([NH3+])Cn1ncc2ccc3c(c21)C[C@@H](O)CO3 ZINC000033976001 345813989 /nfs/dbraw/zinc/81/39/89/345813989.db2.gz CMXWVAVWKSWVHD-WCBMZHEXSA-N 1 0 247.298 0.679 10 0 BCAERO C[C@H](C[NH3+])[C@@H](O)c1c(Cl)cnn1C ZINC000306219983 537911867 /nfs/dbraw/zinc/91/18/67/537911867.db2.gz NRIYASHIIDYOHK-SVGQVSJJSA-N 1 0 203.673 0.702 10 0 BCAERO C[N@H+](CC(N)=O)[C@@H]1CCN(c2ccccc2N)C1 ZINC000141184716 345859409 /nfs/dbraw/zinc/85/94/09/345859409.db2.gz BPUKNAVSNOCSRD-SNVBAGLBSA-N 1 0 248.330 0.265 10 0 BCAERO CN(C)C(=O)Cc1ccc2[nH+]c(N)[nH]c2c1 ZINC000219451094 345859462 /nfs/dbraw/zinc/85/94/62/345859462.db2.gz LFEXYFCYCUBAON-UHFFFAOYSA-N 1 0 218.260 0.776 10 0 BCAERO CCN1CCO[C@H](C[NH2+][C@H]2CCO[C@H]2C)C1 ZINC000250198494 537912622 /nfs/dbraw/zinc/91/26/22/537912622.db2.gz BCIBTIVQEOZHGM-TUAOUCFPSA-N 1 0 228.336 0.474 10 0 BCAERO C[C@]1(O)CC[N@H+](CC(=O)[C@@H]2CCOC2)C1 ZINC000235750089 345840515 /nfs/dbraw/zinc/84/05/15/345840515.db2.gz ZGKFCUZQZAFYFB-KOLCDFICSA-N 1 0 213.277 0.049 10 0 BCAERO [NH3+][C@H]1CN(Cc2ccccc2)CC[C@@H]1O ZINC000118237370 537926163 /nfs/dbraw/zinc/92/61/63/537926163.db2.gz WBYKRESBRFTKBV-RYUDHWBXSA-N 1 0 206.289 0.581 10 0 BCAERO CCn1cc(C(=O)C[C@H]2CCC[NH2+]2)nn1 ZINC000722090648 537926192 /nfs/dbraw/zinc/92/61/92/537926192.db2.gz QSPOLQGZDDEKJL-MRVPVSSYSA-N 1 0 208.265 0.623 10 0 BCAERO C[NH2+][C@@](C)(C[C@H](C)n1ccnc1)C(N)=O ZINC000082800166 537924354 /nfs/dbraw/zinc/92/43/54/537924354.db2.gz ZQUMLBLOMNLUKL-WPRPVWTQSA-N 1 0 210.281 0.298 10 0 BCAERO CCCCS(=O)(=O)N1CC([C@H](C)[NH3+])C1 ZINC000719751025 537933703 /nfs/dbraw/zinc/93/37/03/537933703.db2.gz OAQHDNVUMZQXOH-QMMMGPOBSA-N 1 0 220.338 0.395 10 0 BCAERO CC(=O)N1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000096869504 537942322 /nfs/dbraw/zinc/94/23/22/537942322.db2.gz ADWMZALFYJTDMF-BQBZGAKWSA-N 1 0 210.199 0.744 10 0 BCAERO O=C(N[C@@H]1C[NH2+]C[C@H]1C(F)(F)F)C1CC1 ZINC000669372744 537950655 /nfs/dbraw/zinc/95/06/55/537950655.db2.gz YGDRJWYAVQWCTC-RNFRBKRXSA-N 1 0 222.210 0.663 10 0 BCAERO CC(C)[C@@H](C)C(=O)NC[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000675054637 537952148 /nfs/dbraw/zinc/95/21/48/537952148.db2.gz SGCMURFCDDUIKB-ZNSHCXBVSA-N 1 0 210.321 0.860 10 0 BCAERO CC[N@@H+]1CCC[C@@H]([C@H](C)S(=O)(=O)NC)C1 ZINC000669375735 537955889 /nfs/dbraw/zinc/95/58/89/537955889.db2.gz SCVBGPAFEQTBHT-VHSXEESVSA-N 1 0 234.365 0.656 10 0 BCAERO Cn1nnc(Br)c1[C@@]1(F)CC[NH2+]C1 ZINC000236126606 346193845 /nfs/dbraw/zinc/19/38/45/346193845.db2.gz VGPSUHODTWCAFS-SSDOTTSWSA-N 1 0 249.087 0.736 10 0 BCAERO CC[N@@H+]1CCC[C@@H]([C@@H](C)S(=O)(=O)NC)C1 ZINC000669375733 537955526 /nfs/dbraw/zinc/95/55/26/537955526.db2.gz SCVBGPAFEQTBHT-NXEZZACHSA-N 1 0 234.365 0.656 10 0 BCAERO COC(=O)[C@H](NC(=O)C[C@@H]([NH3+])C(C)C)C(C)C ZINC000136430989 346217290 /nfs/dbraw/zinc/21/72/90/346217290.db2.gz HYQAVEFWPZXJFN-MWLCHTKSSA-N 1 0 244.335 0.674 10 0 BCAERO NC(=O)[C@H]1CC[N@@H+](C2CCC(=O)CC2)C1 ZINC000236276750 346218172 /nfs/dbraw/zinc/21/81/72/346218172.db2.gz HXHVHPOCAIIRJU-QMMMGPOBSA-N 1 0 210.277 0.305 10 0 BCAERO CCOC(=O)CCCNC(=O)C[C@@H]([NH3+])C(C)C ZINC000136472368 346226096 /nfs/dbraw/zinc/22/60/96/346226096.db2.gz RJBSMXZELFILBD-SNVBAGLBSA-N 1 0 244.335 0.819 10 0 BCAERO CNS(=O)(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000669376415 537961811 /nfs/dbraw/zinc/96/18/11/537961811.db2.gz RSGYPUSCXNSQOI-BDAKNGLRSA-N 1 0 220.338 0.408 10 0 BCAERO CC(C)NC(=[NH2+])[C@@H]1CCS(=O)(=O)C1 ZINC000167412331 346245903 /nfs/dbraw/zinc/24/59/03/346245903.db2.gz YKURGHGJQITZGB-SSDOTTSWSA-N 1 0 204.295 0.396 10 0 BCAERO [NH3+][C@]1(Cc2cscn2)CCS(=O)(=O)C1 ZINC000167467773 346251578 /nfs/dbraw/zinc/25/15/78/346251578.db2.gz AFCKJWRUJGTYIC-QMMMGPOBSA-N 1 0 232.330 0.202 10 0 BCAERO C[C@H](C[NH3+])[C@H](O)c1cc(Br)nn1C ZINC000669377306 537964117 /nfs/dbraw/zinc/96/41/17/537964117.db2.gz LZBNSXBTLHRSNN-XRGYYRRGSA-N 1 0 248.124 0.811 10 0 BCAERO C[C@H](C[NH3+])[C@@H](O)c1cn(C)nc1Br ZINC000669378045 537966672 /nfs/dbraw/zinc/96/66/72/537966672.db2.gz RMYDIZQZWNHLMH-IYSWYEEDSA-N 1 0 248.124 0.811 10 0 BCAERO CCC[N@H+](C)C[C@@H]1C[NH2+]C[C@@H](C(=O)[O-])C1 ZINC000669378398 537966940 /nfs/dbraw/zinc/96/69/40/537966940.db2.gz CVLCAZGKYOYNBJ-UWVGGRQHSA-N 1 0 214.309 0.639 10 0 BCAERO Cc1nc2n(n1)C[C@@H]([NH2+]CC(C)(C)O)CC2 ZINC000381540498 346301787 /nfs/dbraw/zinc/30/17/87/346301787.db2.gz HPEMZWGIKLWKPF-VIFPVBQESA-N 1 0 224.308 0.262 10 0 BCAERO CCC[C@@]1([NH2+]C[C@H]2CNC(=O)O2)CCOC1 ZINC000381541089 346302974 /nfs/dbraw/zinc/30/29/74/346302974.db2.gz HWDQQKWSYFGCRE-MWLCHTKSSA-N 1 0 228.292 0.644 10 0 BCAERO COC(=O)c1ccc2c(C[NH3+])ncn2c1 ZINC000669377844 537967217 /nfs/dbraw/zinc/96/72/17/537967217.db2.gz YFQCTIOAUKCESQ-UHFFFAOYSA-N 1 0 205.217 0.580 10 0 BCAERO CC(C)[C@@H](CO)NC(=O)[C@@H]1CCC[NH2+][C@H]1C ZINC000395314670 537965996 /nfs/dbraw/zinc/96/59/96/537965996.db2.gz XWPAPXDVUDCXQQ-HBNTYKKESA-N 1 0 228.336 0.508 10 0 BCAERO C[C@H](C[NH3+])[C@]1(O)CCCC2(C1)OCCO2 ZINC000669378055 537966104 /nfs/dbraw/zinc/96/61/04/537966104.db2.gz TWSUZFDYAVRFDS-ZJUUUORDSA-N 1 0 215.293 0.629 10 0 BCAERO C[C@H]1CCN(C(=O)C(F)(F)F)C[C@H]1C[NH3+] ZINC000167615814 346290066 /nfs/dbraw/zinc/29/00/66/346290066.db2.gz FLUDZNJFQQIMAY-NKWVEPMBSA-N 1 0 224.226 0.992 10 0 BCAERO CC(C)NC(=O)C[N@@H+]1CC[C@@H](CCO)C1 ZINC000161587613 346338341 /nfs/dbraw/zinc/33/83/41/346338341.db2.gz ZVONHGNWNMYIRW-JTQLQIEISA-N 1 0 214.309 0.215 10 0 BCAERO COC(=O)CCC[N@@H+]1CC[C@@H](CCO)C1 ZINC000161598981 346341723 /nfs/dbraw/zinc/34/17/23/346341723.db2.gz WZOCMCYLVGXBHF-JTQLQIEISA-N 1 0 215.293 0.644 10 0 BCAERO Cc1cccc(CC[NH2+][C@H]2COC[C@H]2O)c1 ZINC000051669711 179059582 /nfs/dbraw/zinc/05/95/82/179059582.db2.gz FAXGQEFCFDMHSR-QWHCGFSZSA-N 1 0 221.300 0.887 10 0 BCAERO Cc1cccc(CC[NH2+][C@@H]2COC[C@@H]2O)c1 ZINC000051669706 179060575 /nfs/dbraw/zinc/06/05/75/179060575.db2.gz FAXGQEFCFDMHSR-OLZOCXBDSA-N 1 0 221.300 0.887 10 0 BCAERO CC(C)S(=O)(=O)N[C@@H]1C[NH2+]CC1(C)C ZINC000669379275 537976762 /nfs/dbraw/zinc/97/67/62/537976762.db2.gz ZPNRSVBOABWNAI-MRVPVSSYSA-N 1 0 220.338 0.312 10 0 BCAERO CCN(C(=O)COC)[C@@H]1CCC[NH2+]CC1 ZINC000381598665 346404257 /nfs/dbraw/zinc/40/42/57/346404257.db2.gz MQJPHWRXISJSCQ-SNVBAGLBSA-N 1 0 214.309 0.623 10 0 BCAERO O=C1NCC[C@@H]([NH2+]CCO)c2ccccc21 ZINC000669379117 537975010 /nfs/dbraw/zinc/97/50/10/537975010.db2.gz STDCAINKFXLBMK-LLVKDONJSA-N 1 0 220.272 0.443 10 0 BCAERO C[S@@](=O)C1(C[NH2+][C@@H]2CCCC[C@H]2O)CC1 ZINC000380165568 346394011 /nfs/dbraw/zinc/39/40/11/346394011.db2.gz FIUKMVNLJUJHBD-IQMDTDKHSA-N 1 0 231.361 0.791 10 0 BCAERO CCCNC(=O)N1CCC[NH2+]CC12CC2 ZINC000725241166 537977318 /nfs/dbraw/zinc/97/73/18/537977318.db2.gz AOSHXIKSSOVSRF-UHFFFAOYSA-N 1 0 211.309 0.934 10 0 BCAERO Nc1ncc([C@]2(O)CCC[C@@H]([NH3+])C2)s1 ZINC000159853078 346433155 /nfs/dbraw/zinc/43/31/55/346433155.db2.gz OLVINXXIFKQRQG-MUWHJKNJSA-N 1 0 213.306 0.814 10 0 BCAERO O=C1OC[C@@]2(CO)C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000575154505 346438316 /nfs/dbraw/zinc/43/83/16/346438316.db2.gz BJWMDBOXVFSTIP-JSGCOSHPSA-N 1 0 247.294 0.654 10 0 BCAERO Cc1cccc(C[N@@H+]2C[C@H](O)C[C@@H]2CO)c1 ZINC000179179882 179084355 /nfs/dbraw/zinc/08/43/55/179084355.db2.gz QJKCPHUXIDPLMI-CHWSQXEVSA-N 1 0 221.300 0.923 10 0 BCAERO Nc1ncccc1CC(=O)[C@@H]1CCC[NH2+]1 ZINC000167664898 346455867 /nfs/dbraw/zinc/45/58/67/346455867.db2.gz FEEXUNSZIREKCW-VIFPVBQESA-N 1 0 205.261 0.527 10 0 BCAERO c1cc(CN2CCO[C@@H]3C[NH2+]C[C@@H]32)sn1 ZINC000641799132 362747244 /nfs/dbraw/zinc/74/72/44/362747244.db2.gz KBKJRQODISNXDC-VHSXEESVSA-N 1 0 225.317 0.316 10 0 BCAERO CCc1cc(C(=O)N2CC[C@@H]([NH+](C)C)C2)[nH]n1 ZINC000170866850 346467086 /nfs/dbraw/zinc/46/70/86/346467086.db2.gz SHTONWBFSFYHRV-SNVBAGLBSA-N 1 0 236.319 0.748 10 0 BCAERO OC[C@@H]1CCN([C@H]2C[C@H]3CCCC[N@@H+]3C2)C1 ZINC000725241637 537981483 /nfs/dbraw/zinc/98/14/83/537981483.db2.gz KKLUMJVCKYEJOA-UPJWGTAASA-N 1 0 224.348 0.927 10 0 BCAERO C[C@@H](C(=O)N(C)C)[N@@H+]1CCS[C@@H](C)C1 ZINC000170901729 346476032 /nfs/dbraw/zinc/47/60/32/346476032.db2.gz QMTMXRRHNNHMOS-IUCAKERBSA-N 1 0 216.350 0.900 10 0 BCAERO CC[C@@H](NC(=O)C1CCC([NH3+])CC1)C(=O)OC ZINC000301636515 349967136 /nfs/dbraw/zinc/96/71/36/349967136.db2.gz BPUTWPSMNUQHPQ-UDNWOFFPSA-N 1 0 242.319 0.572 10 0 BCAERO CC[N@H+](C)[C@@H]1CC2(CC[C@H]1O)OCCO2 ZINC000249911904 346499678 /nfs/dbraw/zinc/49/96/78/346499678.db2.gz ITRSHCJPSRSOHR-NXEZZACHSA-N 1 0 215.293 0.595 10 0 BCAERO CC(=O)N[C@@H]1C[C@@]2(C[NH2+][C@H]2C(C)C)C[C@H]1O ZINC000669379793 537983175 /nfs/dbraw/zinc/98/31/75/537983175.db2.gz DEVWVSJBDJAHRV-WYUUTHIRSA-N 1 0 226.320 0.260 10 0 BCAERO CS(=O)(=O)c1cnn(CC2(C[NH3+])CC2)c1 ZINC000725242257 537983272 /nfs/dbraw/zinc/98/32/72/537983272.db2.gz PUZPRSMQKYWGJK-UHFFFAOYSA-N 1 0 229.305 0.026 10 0 BCAERO C[S@@](=O)C1(C[NH2+]C[C@@H](O)C(C)(C)C)CC1 ZINC000380195129 346559361 /nfs/dbraw/zinc/55/93/61/346559361.db2.gz BSHYDXRCNKFNKQ-RFAUZJTJSA-N 1 0 233.377 0.894 10 0 BCAERO CS(=O)(=O)c1cnn(CC[C@H]2CC[NH2+]C2)c1 ZINC000725242136 537983348 /nfs/dbraw/zinc/98/33/48/537983348.db2.gz HUBXGJYEHPQLIF-SECBINFHSA-N 1 0 243.332 0.286 10 0 BCAERO CC[C@@H](O)CN1CC[NH+](C[C@H](C)COC)CC1 ZINC000187248125 346563295 /nfs/dbraw/zinc/56/32/95/346563295.db2.gz ZTCBNBREDXEULE-QWHCGFSZSA-N 1 0 244.379 0.657 10 0 BCAERO CCOC(=O)CC(=O)N1C[C@@H]([NH3+])C(C)(C)C1 ZINC000669380184 537983765 /nfs/dbraw/zinc/98/37/65/537983765.db2.gz UERDYZQMDMCZND-MRVPVSSYSA-N 1 0 228.292 0.135 10 0 BCAERO CC[C@@](O)(CN1CC[NH2+]C[C@@H]1C)C(F)(F)F ZINC000669379836 537982771 /nfs/dbraw/zinc/98/27/71/537982771.db2.gz KWMZNKYCXRYJKF-DTWKUNHWSA-N 1 0 240.269 0.984 10 0 BCAERO CS(=O)(=O)c1cnn([C@H]2CC[C@@H]2C[NH3+])c1 ZINC000725242132 537982985 /nfs/dbraw/zinc/98/29/85/537982985.db2.gz HSDXOLHUDOBSIK-APPZFPTMSA-N 1 0 229.305 0.196 10 0 BCAERO C[NH2+][C@@H]1CCN(c2ncncc2Cl)C1 ZINC000163695186 346572579 /nfs/dbraw/zinc/57/25/79/346572579.db2.gz AHVUQCOEEHMNFK-SSDOTTSWSA-N 1 0 212.684 0.928 10 0 BCAERO O=C([C@H]1CSCC[NH2+]1)N1CCCCO1 ZINC000164300360 346600013 /nfs/dbraw/zinc/60/00/13/346600013.db2.gz AZAFJIJGTWUQII-MRVPVSSYSA-N 1 0 216.306 0.245 10 0 BCAERO CNC(=S)N(C)C[C@H]1CC[N@H+](C)C1 ZINC000164327141 346600641 /nfs/dbraw/zinc/60/06/41/346600641.db2.gz PRIAZUHFRQPQAM-QMMMGPOBSA-N 1 0 201.339 0.374 10 0 BCAERO CC[C@@H]([C@@H](C)[NH3+])n1cc(S(C)(=O)=O)cn1 ZINC000725242302 537984049 /nfs/dbraw/zinc/98/40/49/537984049.db2.gz SOVGKPFGBSISIU-APPZFPTMSA-N 1 0 231.321 0.585 10 0 BCAERO CCNC(=S)N1CC[N@H+](C)[C@H](CC)C1 ZINC000164341585 346601317 /nfs/dbraw/zinc/60/13/17/346601317.db2.gz GQACVZQJRLXTQG-SECBINFHSA-N 1 0 215.366 0.907 10 0 BCAERO C[C@H](C[NH2+]CC(C)(C)O)CN1CCOCC1 ZINC000580182804 346626016 /nfs/dbraw/zinc/62/60/16/346626016.db2.gz GPGDJLLFPASRNU-LLVKDONJSA-N 1 0 230.352 0.315 10 0 BCAERO Cc1cccc(NCCN2CC[NH2+]CC2)n1 ZINC000034569584 179145434 /nfs/dbraw/zinc/14/54/34/179145434.db2.gz ZNRPKLQKIMHPIV-UHFFFAOYSA-N 1 0 220.320 0.707 10 0 BCAERO CC(=O)NCCN(C)C(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000308205072 346747562 /nfs/dbraw/zinc/74/75/62/346747562.db2.gz YDASPODUFPCLAD-QWRGUYRKSA-N 1 0 241.335 0.098 10 0 BCAERO Cc1cccc(OCCN2CC[C@@H]([NH3+])C2=O)c1 ZINC000042896855 179166612 /nfs/dbraw/zinc/16/66/12/179166612.db2.gz GYLPIWAMPOZMDX-GFCCVEGCSA-N 1 0 234.299 0.933 10 0 BCAERO Cc1cccc(OCC[NH2+][C@@H]2COC[C@H]2O)c1 ZINC000042896431 179167747 /nfs/dbraw/zinc/16/77/47/179167747.db2.gz PDCRHHZCXWYVOS-CHWSQXEVSA-N 1 0 237.299 0.723 10 0 BCAERO COc1cc(CN2C[C@@H](C)[C@@H](C[NH3+])C2)on1 ZINC000641819024 362770925 /nfs/dbraw/zinc/77/09/25/362770925.db2.gz GIPOZVRMXDPEJU-BDAKNGLRSA-N 1 0 225.292 0.710 10 0 BCAERO O=C1CO[C@H]2C[NH2+]C[C@@H]2N1Cc1ccccc1 ZINC000616428199 347143018 /nfs/dbraw/zinc/14/30/18/347143018.db2.gz FGUUBOKSOFYACH-RYUDHWBXSA-N 1 0 232.283 0.386 10 0 BCAERO C[C@H]([NH2+][C@@H]1CCc2ncnn2C1)C1CC1 ZINC000165301996 133648206 /nfs/dbraw/zinc/64/82/06/133648206.db2.gz IWTXGYRSEDASII-WCBMZHEXSA-N 1 0 206.293 0.981 10 0 BCAERO CCOC(=O)C(=O)N[C@](C)(CC[NH3+])C(F)F ZINC000669380251 537987789 /nfs/dbraw/zinc/98/77/89/537987789.db2.gz KODLJAONGFXOMC-SECBINFHSA-N 1 0 238.234 0.038 10 0 BCAERO Cc1cccc([C@@H]([C@H](C)[NH3+])N(C)CC(N)=O)c1 ZINC000042966082 179187799 /nfs/dbraw/zinc/18/77/99/179187799.db2.gz FDKULVABUFZRMO-GXFFZTMASA-N 1 0 235.331 0.800 10 0 BCAERO O=C1CCC[C@@]2(C1)[NH2+]CCc1nc[nH]c12 ZINC000725242915 537988026 /nfs/dbraw/zinc/98/80/26/537988026.db2.gz ZUZVZBMYSBDWJX-NSHDSACASA-N 1 0 205.261 0.894 10 0 BCAERO CCS(=O)(=O)N1[C@H](C)CCC[C@H]1C[NH3+] ZINC000250245418 362796773 /nfs/dbraw/zinc/79/67/73/362796773.db2.gz OPHSVRHJGUKKRU-BDAKNGLRSA-N 1 0 220.338 0.538 10 0 BCAERO CCN1CCC[C@H]([NH2+][C@H]2CCCNC(=O)C2)C1 ZINC000250241097 362797541 /nfs/dbraw/zinc/79/75/41/362797541.db2.gz HICIDULQUAKRFE-RYUDHWBXSA-N 1 0 239.363 0.729 10 0 BCAERO CCc1cc2nc(C3C[NH2+]C3)nn2c(O)c1 ZINC000725243024 537987748 /nfs/dbraw/zinc/98/77/48/537987748.db2.gz GHLYFFQUJMBREP-UHFFFAOYSA-N 1 0 218.260 0.684 10 0 BCAERO CN(Cc1ccccc1)[C@H]1C[NH2+]C[C@H]1O ZINC000250251563 362797974 /nfs/dbraw/zinc/79/79/74/362797974.db2.gz WGUJMAHZWGJPKY-NWDGAFQWSA-N 1 0 206.289 0.451 10 0 BCAERO C[N@H+](C[C@@]1(N)CCOC1)[C@H]1CCSC1 ZINC000250360589 362801062 /nfs/dbraw/zinc/80/10/62/362801062.db2.gz DJKVVLGSQXSFGJ-UWVGGRQHSA-N 1 0 216.350 0.542 10 0 BCAERO CNC(=O)[C@H]1CCC[N@@H+]1[C@H]1CCC(=O)C1 ZINC000250391303 362802702 /nfs/dbraw/zinc/80/27/02/362802702.db2.gz PNSWNHRWDJRKMM-WCBMZHEXSA-N 1 0 210.277 0.318 10 0 BCAERO NC(=O)c1cc(N2CCC(CC[NH3+])CC2)ccn1 ZINC000070188716 349975756 /nfs/dbraw/zinc/97/57/56/349975756.db2.gz UVBNLRGBLILPNC-UHFFFAOYSA-N 1 0 248.330 0.746 10 0 BCAERO Cc1cccc([C@H](O)CNC(=O)[C@@H]2CCC[NH2+]2)c1 ZINC000262104106 179201811 /nfs/dbraw/zinc/20/18/11/179201811.db2.gz FAHSGCNEAVXEIA-QWHCGFSZSA-N 1 0 248.326 0.897 10 0 BCAERO Cc1cccc([C@H](O)CNC(=O)[C@@H](C)[NH3+])c1 ZINC000157635831 179202747 /nfs/dbraw/zinc/20/27/47/179202747.db2.gz RBSIFFQNPCHWRL-MWLCHTKSSA-N 1 0 222.288 0.492 10 0 BCAERO CN1CCC[N@H+](C[C@H]2CCCC2=O)CC1 ZINC000250598702 362811765 /nfs/dbraw/zinc/81/17/65/362811765.db2.gz JLMTYDVOZALRPR-LLVKDONJSA-N 1 0 210.321 0.993 10 0 BCAERO Cc1cccc([C@H]([C@H](C)[NH3+])N2CCNC(=O)C2)c1 ZINC000042965512 179203092 /nfs/dbraw/zinc/20/30/92/179203092.db2.gz UXEWQFQTYJNMFJ-FZMZJTMJSA-N 1 0 247.342 0.815 10 0 BCAERO CN1CC[C@H]([NH2+]C[C@H]2CCOCO2)C1 ZINC000250617937 362812560 /nfs/dbraw/zinc/81/25/60/362812560.db2.gz OLDVJIAQOKEQMJ-VHSXEESVSA-N 1 0 200.282 0.043 10 0 BCAERO CCOC(=O)C[C@H](O)C[N@@H+]1C[C@H](C)C[C@@H](O)C1 ZINC000401604660 347342795 /nfs/dbraw/zinc/34/27/95/347342795.db2.gz DOZWSHFKCQZYGY-MXWKQRLJSA-N 1 0 245.319 0.003 10 0 BCAERO CN[C@@]1(C(=O)OC)CC[N@@H+]2CCC[C@H]2C1 ZINC000250749086 362817930 /nfs/dbraw/zinc/81/79/30/362817930.db2.gz OOTNFYHXLZXZPX-ONGXEEELSA-N 1 0 212.293 0.376 10 0 BCAERO COC[C@@H]([NH3+])C(=O)Nc1nc2c(s1)CCC2 ZINC000088003832 362819325 /nfs/dbraw/zinc/81/93/25/362819325.db2.gz URAGSTJDYCPRRM-ZCFIWIBFSA-N 1 0 241.316 0.544 10 0 BCAERO COC[C@H]([NH3+])C(=O)N(C)Cc1ccoc1C ZINC000088003738 362819356 /nfs/dbraw/zinc/81/93/56/362819356.db2.gz IUMLHRNQFJGVJH-JTQLQIEISA-N 1 0 226.276 0.520 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N[C@H](C)Cc1ccsc1 ZINC000088003804 362819803 /nfs/dbraw/zinc/81/98/03/362819803.db2.gz KTTWGKSIWXRADG-PSASIEDQSA-N 1 0 242.344 0.769 10 0 BCAERO CN1CC[C@@H](C[N@H+](C)[C@H]2CCC(=O)C2)C1 ZINC000250643883 362814294 /nfs/dbraw/zinc/81/42/94/362814294.db2.gz UPXCZXCEDIZEEP-MNOVXSKESA-N 1 0 210.321 0.992 10 0 BCAERO CCCCOC[C@@H](O)CN1CC[NH+](CC)CC1 ZINC000193246547 347393108 /nfs/dbraw/zinc/39/31/08/347393108.db2.gz IVFMMPBMXKVETP-ZDUSSCGKSA-N 1 0 244.379 0.802 10 0 BCAERO CCCCOC[C@@H](O)C[NH+]1CCC(CO)CC1 ZINC000193245794 347393124 /nfs/dbraw/zinc/39/31/24/347393124.db2.gz QYMRZKPGDIVJAW-ZDUSSCGKSA-N 1 0 245.363 0.868 10 0 BCAERO COC(=O)CC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000020303504 347440520 /nfs/dbraw/zinc/44/05/20/347440520.db2.gz FGIHXCPAOLYGIX-RKDXNWHRSA-N 1 0 201.266 0.659 10 0 BCAERO O[C@@H]1CCC2(C[C@H]1[C@H]1CCC[NH2+]1)OCCO2 ZINC000251154014 362841437 /nfs/dbraw/zinc/84/14/37/362841437.db2.gz KNZCSKGZOPLKRO-HBNTYKKESA-N 1 0 227.304 0.643 10 0 BCAERO CC[C@H](C(=O)[O-])[N@@H+]1C[C@H](C)C[C@@H]([NH3+])C1 ZINC000251199102 362844618 /nfs/dbraw/zinc/84/46/18/362844618.db2.gz FXJZXLPPFFNYQR-IWSPIJDZSA-N 1 0 200.282 0.519 10 0 BCAERO CCOC(=O)c1cn2cc(C[NH3+])ccc2n1 ZINC000669380403 537990149 /nfs/dbraw/zinc/99/01/49/537990149.db2.gz MZVNTPJWPMEHIL-UHFFFAOYSA-N 1 0 219.244 0.970 10 0 BCAERO Cc1ccccc1-c1nnnn1CCC[NH3+] ZINC000042199274 179239331 /nfs/dbraw/zinc/23/93/31/179239331.db2.gz NBKYOOIQVMQRNV-UHFFFAOYSA-N 1 0 217.276 0.997 10 0 BCAERO CC[C@H]1CC[NH2+]C[C@H]1NC(=O)COC ZINC000616569091 347521401 /nfs/dbraw/zinc/52/14/01/347521401.db2.gz GEDBFFHELBWERV-DTWKUNHWSA-N 1 0 200.282 0.137 10 0 BCAERO CCCS(=O)(=O)N[C@](C)(CC[NH3+])C(F)F ZINC000669380967 537991989 /nfs/dbraw/zinc/99/19/89/537991989.db2.gz UPPGLWKBCDAFDF-MRVPVSSYSA-N 1 0 244.307 0.688 10 0 BCAERO COC[C@]1(C(=O)N[C@H](C)CSC)CCC[NH2+]1 ZINC000591614938 347678765 /nfs/dbraw/zinc/67/87/65/347678765.db2.gz BVBCNXIBFNRQIF-KOLCDFICSA-N 1 0 246.376 0.623 10 0 BCAERO CS[C@@H](C)CNC(=O)[C@H]1C[NH2+]CCOC1 ZINC000591631453 347680974 /nfs/dbraw/zinc/68/09/74/347680974.db2.gz QVVDNVIPBKQXHX-IUCAKERBSA-N 1 0 232.349 0.090 10 0 BCAERO Cc1ccccc1CN1C[C@@H](C[NH3+])OCC1=O ZINC000011884389 179275533 /nfs/dbraw/zinc/27/55/33/179275533.db2.gz NDCCRFRSHFPEDL-GFCCVEGCSA-N 1 0 234.299 0.681 10 0 BCAERO CC[C@H](O)C[N@H+](C)C[C@H]1CN(C)CCO1 ZINC000592391276 347771034 /nfs/dbraw/zinc/77/10/34/347771034.db2.gz QYXCDXXXGZIXQI-WDEREUQCSA-N 1 0 216.325 0.020 10 0 BCAERO COCCC(=O)N[C@@](C)(CC[NH3+])C(F)F ZINC000669380910 537992444 /nfs/dbraw/zinc/99/24/44/537992444.db2.gz RVXITNMLOUKRRV-VIFPVBQESA-N 1 0 224.251 0.512 10 0 BCAERO CC[NH2+][C@H]1CCN(C(=O)CCOC)C1 ZINC000396557230 347739520 /nfs/dbraw/zinc/73/95/20/347739520.db2.gz WDCSMVYMAGTJSQ-VIFPVBQESA-N 1 0 200.282 0.233 10 0 BCAERO COC(=O)[C@@H](C)NC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000592532904 347797072 /nfs/dbraw/zinc/79/70/72/347797072.db2.gz RQVXZEWEXIRRRL-HRDYMLBCSA-N 1 0 228.292 0.039 10 0 BCAERO Cc1ccccc1C[C@H]([NH3+])CS(C)(=O)=O ZINC000052788791 179292419 /nfs/dbraw/zinc/29/24/19/179292419.db2.gz YEKNUKYVEAXNPM-NSHDSACASA-N 1 0 227.329 0.909 10 0 BCAERO CCS(=O)(=O)N[C@](C)(CC[NH3+])C(F)F ZINC000669381073 537993629 /nfs/dbraw/zinc/99/36/29/537993629.db2.gz XHLXNTLBNKZFJV-SSDOTTSWSA-N 1 0 230.280 0.298 10 0 BCAERO C=CC(=O)N[C@H]1C[NH2+]CC[C@@H]1C(F)(F)F ZINC000616570052 347885937 /nfs/dbraw/zinc/88/59/37/347885937.db2.gz DYNXEWXFFQNXCM-BQBZGAKWSA-N 1 0 222.210 0.829 10 0 BCAERO CO[C@H]1C[C@@H](CO)[N@H+](CCOCC2CCC2)C1 ZINC000419269168 192110694 /nfs/dbraw/zinc/11/06/94/192110694.db2.gz OFKBYNYOSLQSBA-STQMWFEESA-N 1 0 243.347 0.885 10 0 BCAERO Fc1cc2c(cn1)[nH]cc2[C@H]1C[NH2+]CCN1 ZINC000669381540 537995051 /nfs/dbraw/zinc/99/50/51/537995051.db2.gz NPFUMMFVUKVNCR-SECBINFHSA-N 1 0 220.251 0.936 10 0 BCAERO COC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)[C@@H](C)[NH3+])C1 ZINC000593911752 347969823 /nfs/dbraw/zinc/96/98/23/347969823.db2.gz KESCVDUFENGTQF-IVZWLZJFSA-N 1 0 242.319 0.381 10 0 BCAERO Cc1ccccc1[C@@H]([C@H](C)[NH3+])N1CCNC(=O)C1 ZINC000043033581 179327626 /nfs/dbraw/zinc/32/76/26/179327626.db2.gz VNQBTFUGSMTGDA-SMDDNHRTSA-N 1 0 247.342 0.815 10 0 BCAERO C[NH2+]C1(CNC(=O)C(C)(C)C)CCOCC1 ZINC000669381705 537995803 /nfs/dbraw/zinc/99/58/03/537995803.db2.gz SJXRTHSTGAFGFY-UHFFFAOYSA-N 1 0 228.336 0.917 10 0 BCAERO Cc1ccccc1[C@H]([C@@H](C)[NH3+])N1CCNC(=O)C1 ZINC000043033578 179347347 /nfs/dbraw/zinc/34/73/47/179347347.db2.gz VNQBTFUGSMTGDA-RISCZKNCSA-N 1 0 247.342 0.815 10 0 BCAERO CCN1CC[NH+](CC[C@@H]2CCC2=O)CC1 ZINC000669381732 537997706 /nfs/dbraw/zinc/99/77/06/537997706.db2.gz TWSCIINFZGJXSK-NSHDSACASA-N 1 0 210.321 0.993 10 0 BCAERO COC(=O)[C@]1(C)O[C@]1(C)CC[NH+](C)C ZINC000669382140 537998448 /nfs/dbraw/zinc/99/84/48/537998448.db2.gz AMYQWJUKJZUDQQ-ZJUUUORDSA-N 1 0 201.266 0.659 10 0 BCAERO CC[C@@H](Cn1cc(C(C)(C)[NH3+])nn1)OC ZINC000397108532 362853982 /nfs/dbraw/zinc/85/39/82/362853982.db2.gz PKYGZHHTSTTWLR-QMMMGPOBSA-N 1 0 212.297 0.897 10 0 BCAERO COC(=O)[C@@H]1CCC(=O)[C@@]2(C[NH2+]C[C@@H]2C)C1 ZINC000725245400 538000364 /nfs/dbraw/zinc/00/03/64/538000364.db2.gz HSGWGWFMKDBHMI-YGOYTEALSA-N 1 0 225.288 0.754 10 0 BCAERO COC(=O)[C@@H]1CCC(=O)[C@@]2(C[NH2+]C[C@H]2C)C1 ZINC000725245390 538001166 /nfs/dbraw/zinc/00/11/66/538001166.db2.gz HSGWGWFMKDBHMI-KBVBSXBZSA-N 1 0 225.288 0.754 10 0 BCAERO Cc1cccnc1NC(=O)[C@@H](C)N1CC[NH2+]CC1 ZINC000020521259 179392030 /nfs/dbraw/zinc/39/20/30/179392030.db2.gz KICKFLPSSFPIRQ-LLVKDONJSA-N 1 0 248.330 0.622 10 0 BCAERO COC(=O)[C@@]1(C)O[C@]1(C)CC[NH+](C)C ZINC000669382135 538001730 /nfs/dbraw/zinc/00/17/30/538001730.db2.gz AMYQWJUKJZUDQQ-NXEZZACHSA-N 1 0 201.266 0.659 10 0 BCAERO C[C@@H]1C[C@@H]2[NH2+]C[C@H](C)[S@](=O)[C@H]2[C@H](C)O1 ZINC000251675237 362896940 /nfs/dbraw/zinc/89/69/40/362896940.db2.gz AGLIDIRLILXKKC-HQZIRTFZSA-N 1 0 217.334 0.661 10 0 BCAERO Cc1ccn(-c2c(C[NH3+])c(C)nn2C)n1 ZINC000052884779 179398987 /nfs/dbraw/zinc/39/89/87/179398987.db2.gz IQCDPVXKVAKUDT-UHFFFAOYSA-N 1 0 205.265 0.681 10 0 BCAERO C[C@@H]1C[C@@H]2[NH2+]C[C@H](C)[S@@](=O)[C@@H]2[C@@H](C)O1 ZINC000251675246 362897063 /nfs/dbraw/zinc/89/70/63/362897063.db2.gz AGLIDIRLILXKKC-DPURVYBASA-N 1 0 217.334 0.661 10 0 BCAERO C[C@H](C(=O)[O-])[N@H+]1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000251695839 362899798 /nfs/dbraw/zinc/89/97/98/362899798.db2.gz WVXPOHNWVFGNLF-DJLDLDEBSA-N 1 0 200.282 0.661 10 0 BCAERO CC(C)C[C@@H]([NH3+])C(=O)N(C)Cc1cn[nH]c1 ZINC000069763636 490158739 /nfs/dbraw/zinc/15/87/39/490158739.db2.gz FIVYBNQJERYKSV-SNVBAGLBSA-N 1 0 224.308 0.742 10 0 BCAERO C[C@H]1COCCN1C[C@H]1CSCC[NH2+]1 ZINC000251572335 362887226 /nfs/dbraw/zinc/88/72/26/362887226.db2.gz CBDRZEPTNUVNAX-UWVGGRQHSA-N 1 0 216.350 0.412 10 0 BCAERO C[C@@H]1CC[N@H+]([C@H](C[NH3+])C(=O)[O-])[C@H](C)C1 ZINC000251608747 362890538 /nfs/dbraw/zinc/89/05/38/362890538.db2.gz CAFKUZTWOREGRR-IWSPIJDZSA-N 1 0 200.282 0.519 10 0 BCAERO C[C@@H]1CN(C[C@H]2CSCC[NH2+]2)CCO1 ZINC000251612116 362892404 /nfs/dbraw/zinc/89/24/04/362892404.db2.gz DNDHPUYBANOKSC-ZJUUUORDSA-N 1 0 216.350 0.412 10 0 BCAERO C[C@@H]1C[NH2+][C@H]2CCS(=O)(=O)C[C@H]2S1 ZINC000251796906 362921327 /nfs/dbraw/zinc/92/13/27/362921327.db2.gz NSOOXEIXVSLFAF-GJMOJQLCSA-N 1 0 221.347 0.267 10 0 BCAERO C[C@@H]1C[C@H]([NH2+][C@H]2CCC(=O)NC2)CS1 ZINC000251757100 362907403 /nfs/dbraw/zinc/90/74/03/362907403.db2.gz DKZDTECJQQZZMI-VGMNWLOBSA-N 1 0 214.334 0.749 10 0 BCAERO CC[NH2+]CCNC(=O)[C@@H]1CC[C@H](C)O1 ZINC000088142074 362907530 /nfs/dbraw/zinc/90/75/30/362907530.db2.gz CNVXMYGUXHSNHL-IUCAKERBSA-N 1 0 200.282 0.280 10 0 BCAERO Cc1ccc(O)c(C[NH2+][C@@H]2C[C@H]2CO)n1 ZINC000309096488 349985269 /nfs/dbraw/zinc/98/52/69/349985269.db2.gz FBUVGAPDAZWGKR-DTWKUNHWSA-N 1 0 208.261 0.566 10 0 BCAERO C[C@@H]1C[C@@H]2[NH2+]CC[S@](=O)[C@H]2[C@@H](C)O1 ZINC000251780202 362914168 /nfs/dbraw/zinc/91/41/68/362914168.db2.gz FLUNMJJADLQHQP-MFKNQCEMSA-N 1 0 203.307 0.273 10 0 BCAERO CC[C@H](C)[C@@H]([NH3+])C(=O)NCc1cocn1 ZINC000397830694 362919621 /nfs/dbraw/zinc/91/96/21/362919621.db2.gz MVIHOHWIGFKLBD-IONNQARKSA-N 1 0 211.265 0.664 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)O1 ZINC000251710393 362900718 /nfs/dbraw/zinc/90/07/18/362900718.db2.gz ICCVHNGDCALJOU-CHWFTXMASA-N 1 0 226.320 0.811 10 0 BCAERO Cc1ccnc(N(C)[C@@H]2CCC[NH2+]C2)n1 ZINC000082499985 179428837 /nfs/dbraw/zinc/42/88/37/179428837.db2.gz QQQJFTMDNXSNGO-SNVBAGLBSA-N 1 0 206.293 0.973 10 0 BCAERO COC(=O)[C@@H]1O[C@]12CCC[C@@H]([NH+](C)C)C2 ZINC000669382802 538003438 /nfs/dbraw/zinc/00/34/38/538003438.db2.gz LZSNQOLVRYMJCG-YWVKMMECSA-N 1 0 213.277 0.801 10 0 BCAERO CCOC(=O)[C@H]1C[C@@H]2CC(=O)C[C@H](C1)[NH2+]2 ZINC000261508953 187396435 /nfs/dbraw/zinc/39/64/35/187396435.db2.gz YPFLZILYILGHIK-AYMMMOKOSA-N 1 0 211.261 0.649 10 0 BCAERO COC(=O)[C@@H]1CCCN(C(=O)C[NH2+]C(C)C)C1 ZINC000595958940 348404620 /nfs/dbraw/zinc/40/46/20/348404620.db2.gz UEPXBLYTYNTULS-SNVBAGLBSA-N 1 0 242.319 0.396 10 0 BCAERO O=C(N[C@@H]1CC[C@H]2C[NH2+]CC[C@H]21)C1CC1 ZINC000669382961 538006225 /nfs/dbraw/zinc/00/62/25/538006225.db2.gz PGCVXRYJGLWSRB-HBNTYKKESA-N 1 0 208.305 0.901 10 0 BCAERO C[C@@H]([NH2+]C[C@H](O)C(C)(C)C)C(=O)N(C)C ZINC000308778493 348547782 /nfs/dbraw/zinc/54/77/82/348547782.db2.gz BNUMHINGDNJQQP-BDAKNGLRSA-N 1 0 216.325 0.460 10 0 BCAERO COC(=O)[C@@H]1CC[C@H](O)[C@@]2(C[NH2+]C[C@H]2C)C1 ZINC000725246222 538006388 /nfs/dbraw/zinc/00/63/88/538006388.db2.gz RNKHCUXQKLTXND-MWGHHZFTSA-N 1 0 227.304 0.546 10 0 BCAERO Cc1ccoc1C(=O)N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000085282521 179503787 /nfs/dbraw/zinc/50/37/87/179503787.db2.gz XCORZZYKCQYSQJ-UWVGGRQHSA-N 1 0 220.272 0.879 10 0 BCAERO COC(=O)[C@]1(Cl)O[C@]1(C)CC[NH+](C)C ZINC000669383394 538008152 /nfs/dbraw/zinc/00/81/52/538008152.db2.gz PFPLGQSXVYVDKW-BDAKNGLRSA-N 1 0 221.684 0.835 10 0 BCAERO Cc1cnc(CNC(=O)[C@H]([NH3+])C(C)C)cn1 ZINC000061322383 179601000 /nfs/dbraw/zinc/60/10/00/179601000.db2.gz ZICMKKGTKGWNHM-SNVBAGLBSA-N 1 0 222.292 0.385 10 0 BCAERO Cc1cnc(CNC(=O)C[C@@H]2CCC[NH2+]C2)cn1 ZINC000061322467 179601269 /nfs/dbraw/zinc/60/12/69/179601269.db2.gz SECCPFJBZMUADV-NSHDSACASA-N 1 0 248.330 0.791 10 0 BCAERO C[C@@]([NH3+])(C(N)=O)c1ccc(F)c(F)c1 ZINC000037460030 348614349 /nfs/dbraw/zinc/61/43/49/348614349.db2.gz XNHKIAWHFHOCLS-VIFPVBQESA-N 1 0 200.188 0.624 10 0 BCAERO CS[C@@H]1CC[C@@H]1[NH2+]C[C@H]1CC(=O)N(C)C1 ZINC000597212675 348680378 /nfs/dbraw/zinc/68/03/78/348680378.db2.gz AAOWOBHYMSWALB-KXUCPTDWSA-N 1 0 228.361 0.948 10 0 BCAERO COC[C@@H](C[NH2+]C[C@@H](O)C(C)(C)C)OC ZINC000308810981 348698594 /nfs/dbraw/zinc/69/85/94/348698594.db2.gz QHDQDDRNUQPEQK-NXEZZACHSA-N 1 0 219.325 0.644 10 0 BCAERO O=C(CC[C@H]1CCC[NH2+]1)NCc1cocn1 ZINC000397874697 362929486 /nfs/dbraw/zinc/92/94/86/362929486.db2.gz HGXURDMEKDMYEL-SECBINFHSA-N 1 0 223.276 0.823 10 0 BCAERO O=C(N[C@@H]1CCCOCC1)[C@H]1CC[NH2+]C1 ZINC000308831390 348760944 /nfs/dbraw/zinc/76/09/44/348760944.db2.gz JOVBJNUDXXTEOT-VHSXEESVSA-N 1 0 212.293 0.281 10 0 BCAERO [NH3+][C@H]1C[C@@]12CNc1cc(N3CCOCC3)ccc12 ZINC000725247623 538013032 /nfs/dbraw/zinc/01/30/32/538013032.db2.gz SLVATJVQRSSGNK-KBPBESRZSA-N 1 0 245.326 0.918 10 0 BCAERO CC(C)(C)[NH2+]C[C@H](O)C(=O)N1CCCC1 ZINC000669383843 538013415 /nfs/dbraw/zinc/01/34/15/538013415.db2.gz ZCQFXESUFWTUGC-VIFPVBQESA-N 1 0 214.309 0.358 10 0 BCAERO C[C@H](C(=O)OCc1ccccc1)[C@H]([NH3+])O ZINC000207724932 348815136 /nfs/dbraw/zinc/81/51/36/348815136.db2.gz QSMIAXLDYNPSBC-WCBMZHEXSA-N 1 0 209.245 0.643 10 0 BCAERO [NH3+][C@@H]1C[C@@]12CNc1cc(N3CCOCC3)ccc12 ZINC000725247624 538013745 /nfs/dbraw/zinc/01/37/45/538013745.db2.gz SLVATJVQRSSGNK-KGLIPLIRSA-N 1 0 245.326 0.918 10 0 BCAERO CC(C)NC(=O)CC[NH2+][C@@H]1CCCC[C@H]1O ZINC000054048395 348833081 /nfs/dbraw/zinc/83/30/81/348833081.db2.gz HTNISPYQEGWWII-GHMZBOCLSA-N 1 0 228.336 0.794 10 0 BCAERO CC[N@H+](C)C[C@H](O)CN1CCS[C@@H](C)C1 ZINC000308861837 348909069 /nfs/dbraw/zinc/90/90/69/348909069.db2.gz PNLVVQCXAQJSTO-QWRGUYRKSA-N 1 0 232.393 0.736 10 0 BCAERO CN1CC[NH2+]C[C@@H]1CNC(=O)OC(C)(C)C ZINC000082348624 187405962 /nfs/dbraw/zinc/40/59/62/187405962.db2.gz KNILPTZAZXNUFD-SECBINFHSA-N 1 0 229.324 0.415 10 0 BCAERO CCNC(=O)[C@@H](C)NC(=O)C[C@H]1CCC[NH2+]C1 ZINC000054291542 348963446 /nfs/dbraw/zinc/96/34/46/348963446.db2.gz NEUUOAIANGMRAD-NXEZZACHSA-N 1 0 241.335 0.017 10 0 BCAERO CC[S@](=O)N1[C@H](C)C[NH2+][C@@H](C)[C@@H]1C ZINC000401224149 349043173 /nfs/dbraw/zinc/04/31/73/349043173.db2.gz CGGXUKGIJDOBPE-LWIGBJQBSA-N 1 0 204.339 0.741 10 0 BCAERO CC(C)([NH3+])COCC(=O)N1CCCC1 ZINC000070837283 187422622 /nfs/dbraw/zinc/42/26/22/187422622.db2.gz SNIKTTGVEKMXSA-UHFFFAOYSA-N 1 0 200.282 0.363 10 0 BCAERO O=C(C1CCOCC1)N1CC[C@H]2[NH2+]CCC[C@@H]21 ZINC000616573386 349069239 /nfs/dbraw/zinc/06/92/39/349069239.db2.gz YBDCXIQKIYVNQU-NEPJUHHUSA-N 1 0 238.331 0.766 10 0 BCAERO C[NH+]1CCC(C(=O)N[C@@]23CC[C@H]2C[NH2+]C3)CC1 ZINC000616573736 349072744 /nfs/dbraw/zinc/07/27/44/349072744.db2.gz SPLLOWMPCZQWIZ-WCQYABFASA-N 1 0 237.347 0.196 10 0 BCAERO Cc1cc(C)nc(C[C@H]2C[NH2+]CCOC2)n1 ZINC000616575425 349095566 /nfs/dbraw/zinc/09/55/66/349095566.db2.gz KFLDTEZLYYNABT-NSHDSACASA-N 1 0 221.304 0.872 10 0 BCAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C[NH2+]C1CC1 ZINC000246387984 349097144 /nfs/dbraw/zinc/09/71/44/349097144.db2.gz BWHSRGOLFAIYFI-PWSUYJOCSA-N 1 0 237.347 0.434 10 0 BCAERO CC[C@H]1CC[NH2+]C[C@@H]1NC(=O)CCOC ZINC000616572596 349061770 /nfs/dbraw/zinc/06/17/70/349061770.db2.gz WWRQGITXPGQQMI-UWVGGRQHSA-N 1 0 214.309 0.527 10 0 BCAERO COCCC(=O)N1CC[C@H]2[NH2+]CCC[C@H]21 ZINC000616573066 349064316 /nfs/dbraw/zinc/06/43/16/349064316.db2.gz WISOPJMGUNJZAV-NXEZZACHSA-N 1 0 212.293 0.376 10 0 BCAERO COCC(=O)N1CC[C@H](c2ccccc2)[C@@H]([NH3+])C1 ZINC000616572067 349065285 /nfs/dbraw/zinc/06/52/85/349065285.db2.gz TZKXFWJLJILPOY-OLZOCXBDSA-N 1 0 248.326 0.976 10 0 BCAERO CC(C)N(CC(N)=O)C(=O)[C@H]1CC[C@H](C)[NH2+]C1 ZINC000042439042 187430848 /nfs/dbraw/zinc/43/08/48/187430848.db2.gz KLYUMJKFEOZPGA-UWVGGRQHSA-N 1 0 241.335 0.097 10 0 BCAERO Cc1cc(N2CCC[C@](O)(C[NH3+])C2)ncn1 ZINC000616578131 349123848 /nfs/dbraw/zinc/12/38/48/349123848.db2.gz JRMAVACLVYTEEA-NSHDSACASA-N 1 0 222.292 0.075 10 0 BCAERO COCC[NH2+][C@@H]1C2CCN(CC2)C12CC2 ZINC000616579226 349136794 /nfs/dbraw/zinc/13/67/94/349136794.db2.gz RLYGIVVMAOBXGA-LLVKDONJSA-N 1 0 210.321 0.849 10 0 BCAERO C[C@@H]1C[C@@H](NC(=O)[C@@]2(C)CCC[NH2+]2)CO1 ZINC000402015304 349146304 /nfs/dbraw/zinc/14/63/04/349146304.db2.gz CRWUPDVYOCQOAX-FXPVBKGRSA-N 1 0 212.293 0.422 10 0 BCAERO COC[C@H]([NH3+])C(=O)N1C[C@@H](C)S[C@H](C)C1 ZINC000251767356 349190215 /nfs/dbraw/zinc/19/02/15/349190215.db2.gz UUFIGJIOJAUHKO-HLTSFMKQSA-N 1 0 232.349 0.313 10 0 BCAERO Nc1cnn(CCC[NH+]2CCCCC2)n1 ZINC000725251157 538029335 /nfs/dbraw/zinc/02/93/35/538029335.db2.gz XYVFAMYSCCXAQM-UHFFFAOYSA-N 1 0 209.297 0.736 10 0 BCAERO CC[C@@H](C(N)=[NH2+])n1cc(S(C)(=O)=O)cn1 ZINC000725252804 538034781 /nfs/dbraw/zinc/03/47/81/538034781.db2.gz XOPFQUXSBYRWEQ-ZETCQYMHSA-N 1 0 230.293 0.174 10 0 BCAERO CCn1ccnc1CNc1ncn(C)n1 ZINC000308957613 349202588 /nfs/dbraw/zinc/20/25/88/349202588.db2.gz XWCMYVKYPZYQKU-UHFFFAOYSA-N 1 0 206.253 0.644 10 0 BCAERO C[C@@H]1C[NH2+]C[C@@H](n2cc(S(C)(=O)=O)cn2)C1 ZINC000725253432 538037546 /nfs/dbraw/zinc/03/75/46/538037546.db2.gz VIKBLAICZUCSRT-IUCAKERBSA-N 1 0 243.332 0.457 10 0 BCAERO C[C@H]1C[NH2+]C[C@H](n2cc(S(C)(=O)=O)cn2)C1 ZINC000725253433 538037804 /nfs/dbraw/zinc/03/78/04/538037804.db2.gz VIKBLAICZUCSRT-RKDXNWHRSA-N 1 0 243.332 0.457 10 0 BCAERO CS(=O)(=O)c1cnn([C@@H]2CC[C@H]([NH3+])C2)c1 ZINC000725253171 538036131 /nfs/dbraw/zinc/03/61/31/538036131.db2.gz RBLSBFCUXBFDMQ-JGVFFNPUSA-N 1 0 229.305 0.339 10 0 BCAERO CS(=O)(=O)c1cnn(CCCCCC[NH3+])c1 ZINC000725253167 538036474 /nfs/dbraw/zinc/03/64/74/538036474.db2.gz RBEMWYUQPAYBEI-UHFFFAOYSA-N 1 0 245.348 0.806 10 0 BCAERO C[C@@H]1C[C@H](NC(=O)C2(C[NH3+])CCOCC2)CO1 ZINC000402052255 349278271 /nfs/dbraw/zinc/27/82/71/349278271.db2.gz NLAUWIGORRUHQV-ZJUUUORDSA-N 1 0 242.319 0.036 10 0 BCAERO CC(C)[C@H](O)C[NH2+]CC1(O)CCOCC1 ZINC000300837669 349357337 /nfs/dbraw/zinc/35/73/37/349357337.db2.gz DOYGAMRWULWUHS-SNVBAGLBSA-N 1 0 217.309 0.134 10 0 BCAERO CC(C)S(=O)(=O)CCN1CC[C@H]([NH3+])[C@H](C)C1 ZINC000261533048 535095259 /nfs/dbraw/zinc/09/52/59/535095259.db2.gz GIXQTGFVOMJVBB-MNOVXSKESA-N 1 0 248.392 0.479 10 0 BCAERO C[NH2+][C@H](C)[C@H](C)n1cc(S(C)(=O)=O)cn1 ZINC000725253637 538039999 /nfs/dbraw/zinc/03/99/99/538039999.db2.gz YKVMNAXKGIVHFJ-SFYZADRCSA-N 1 0 231.321 0.456 10 0 BCAERO C[NH+](C)[C@H]1CCN(c2cc(C#N)cnn2)C1 ZINC000396975125 350016610 /nfs/dbraw/zinc/01/66/10/350016610.db2.gz FEQWOINEPGQICM-JTQLQIEISA-N 1 0 217.276 0.489 10 0 BCAERO C[C@]1(C(=O)N[C@H]2CCCC[C@@H]2O)CCC[NH2+]1 ZINC000070619269 350029266 /nfs/dbraw/zinc/02/92/66/350029266.db2.gz OCRVHGKTFCSGNF-JBLDHEPKSA-N 1 0 226.320 0.548 10 0 BCAERO CC(C)CS(=O)(=O)N1CCC([NH3+])CC1 ZINC000070633689 191003696 /nfs/dbraw/zinc/00/36/96/191003696.db2.gz BXBOEVIJVQVALV-UHFFFAOYSA-N 1 0 220.338 0.395 10 0 BCAERO N#Cc1cnnc(N2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000397019515 350051183 /nfs/dbraw/zinc/05/11/83/350051183.db2.gz RGCDWDKVKCBDMN-LLVKDONJSA-N 1 0 229.287 0.633 10 0 BCAERO CC(C)(C)NC(=O)NC[C@H]([NH3+])C1CCOCC1 ZINC000725254867 538048576 /nfs/dbraw/zinc/04/85/76/538048576.db2.gz HWBNXLUWYBIVPW-JTQLQIEISA-N 1 0 243.351 0.838 10 0 BCAERO CC(=O)OC[C@]1(CC(=O)N(C)C)CCC[NH2+]1 ZINC000616591570 350095857 /nfs/dbraw/zinc/09/58/57/350095857.db2.gz NTUOZLJBBQXTRT-LLVKDONJSA-N 1 0 228.292 0.150 10 0 BCAERO Cc1cc(C[NH3+])cc2c1C[C@@H](C(=O)[O-])[NH2+]C2 ZINC000725255518 538052038 /nfs/dbraw/zinc/05/20/38/538052038.db2.gz CXRISBRPNDWZIV-NSHDSACASA-N 1 0 220.272 0.553 10 0 BCAERO [NH3+]Cc1cc2c(cc1F)C[NH2+][C@H](C(=O)[O-])C2 ZINC000725255767 538053225 /nfs/dbraw/zinc/05/32/25/538053225.db2.gz MERQCGMZHLBDEZ-JTQLQIEISA-N 1 0 224.235 0.383 10 0 BCAERO COCCOCC1([NH3+])CCSCC1 ZINC000725255414 538051782 /nfs/dbraw/zinc/05/17/82/538051782.db2.gz QRGDNBCFRTTZCH-UHFFFAOYSA-N 1 0 205.323 0.874 10 0 BCAERO Cn1ccnc(NC[C@H]2CCC[NH2+]C2)c1=O ZINC000061752374 187439083 /nfs/dbraw/zinc/43/90/83/187439083.db2.gz KXBQMINAERNBSN-VIFPVBQESA-N 1 0 222.292 0.192 10 0 BCAERO Cc1cc(C[NH3+])c2c(c1)C[NH2+][C@@H](C(=O)[O-])C2 ZINC000725256109 538055578 /nfs/dbraw/zinc/05/55/78/538055578.db2.gz UDBPGUPVGTXHGI-LLVKDONJSA-N 1 0 220.272 0.553 10 0 BCAERO CCN1C2(CCC(C)CC2)[C@H]([NH3+])CS1(=O)=O ZINC000725256305 538056344 /nfs/dbraw/zinc/05/63/44/538056344.db2.gz CHLPCQLFOODJRF-HSOILSAZSA-N 1 0 246.376 0.928 10 0 BCAERO C[NH2+][C@@H](C)CNc1ccc(C(=O)OC)nn1 ZINC000304229311 350146039 /nfs/dbraw/zinc/14/60/39/350146039.db2.gz AGVMDCGHADPQDI-ZETCQYMHSA-N 1 0 224.264 0.283 10 0 BCAERO CCCCn1nnc(C[NH3+])c1-c1ccnn1C ZINC000725257173 538062109 /nfs/dbraw/zinc/06/21/09/538062109.db2.gz HUAFZSVPLBKMDS-UHFFFAOYSA-N 1 0 234.307 0.937 10 0 BCAERO CCN1C2(CCCCC2)[C@@H]([NH3+])CS1(=O)=O ZINC000725256563 538057985 /nfs/dbraw/zinc/05/79/85/538057985.db2.gz UVODDVCUEJNVSH-VIFPVBQESA-N 1 0 232.349 0.682 10 0 BCAERO C[NH2+][C@H](C)C(=O)N1CC[C@](O)(C(F)(F)F)C1 ZINC000304523094 350162470 /nfs/dbraw/zinc/16/24/70/350162470.db2.gz FRCLEYPXMACEEP-HTRCEHHLSA-N 1 0 240.225 0.120 10 0 BCAERO Cc1nc2ccccc2n1C[C@H](O)C[NH3+] ZINC000019278885 180102616 /nfs/dbraw/zinc/10/26/16/180102616.db2.gz RIOYFCZESFZMQO-SECBINFHSA-N 1 0 205.261 0.664 10 0 BCAERO CCCn1nnc(C[NH3+])c1-c1ccnn1C ZINC000725257381 538063767 /nfs/dbraw/zinc/06/37/67/538063767.db2.gz MNFMSNJEZVZKBY-UHFFFAOYSA-N 1 0 220.280 0.547 10 0 BCAERO Cc1ncc(C[NH2+][C@H]2COC[C@@H]2O)s1 ZINC000040997940 180158388 /nfs/dbraw/zinc/15/83/88/180158388.db2.gz IABNWTWLFZQVEC-IUCAKERBSA-N 1 0 214.290 0.301 10 0 BCAERO CC(C)n1nnc(C[NH3+])c1-c1ccnn1C ZINC000725257746 538068057 /nfs/dbraw/zinc/06/80/57/538068057.db2.gz VPTGNWQUEPRFJN-UHFFFAOYSA-N 1 0 220.280 0.718 10 0 BCAERO CCNC(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725257991 538069241 /nfs/dbraw/zinc/06/92/41/538069241.db2.gz CBODACMRQDZPQZ-UHFFFAOYSA-N 1 0 209.253 0.169 10 0 BCAERO Cc1nccc(CNC[C@@H]2CC[N@@H+](C)C2)n1 ZINC000054790675 180190056 /nfs/dbraw/zinc/19/00/56/180190056.db2.gz SCUHRTLEJFCZSH-NSHDSACASA-N 1 0 220.320 0.826 10 0 BCAERO Cc1nccc(C[NH2+][C@@H]2CCC[C@H]2O)n1 ZINC000038037928 180191879 /nfs/dbraw/zinc/19/18/79/180191879.db2.gz ZBOWNILTKGCFKS-GHMZBOCLSA-N 1 0 207.277 0.788 10 0 BCAERO Cc1nccc(C[NH2+]C[C@H]2CCOC2)n1 ZINC000038037458 180188799 /nfs/dbraw/zinc/18/87/99/180188799.db2.gz GARMKMJFLFMDEI-SNVBAGLBSA-N 1 0 207.277 0.911 10 0 BCAERO Cc1ncccc1C(=O)N1CC[C@@H]([NH3+])[C@@H]1C ZINC000309345194 180209708 /nfs/dbraw/zinc/20/97/08/180209708.db2.gz WGKWZQAEWCVPFM-GXSJLCMTSA-N 1 0 219.288 0.952 10 0 BCAERO Cc1ncccc1C[N@@H+]1CCC[C@@](O)(C(N)=O)C1 ZINC000310804606 180219092 /nfs/dbraw/zinc/21/90/92/180219092.db2.gz FFLBTJCILRYFRG-ZDUSSCGKSA-N 1 0 249.314 0.202 10 0 BCAERO CC(C)(O)C[NH2+]C[C@@H](O)CN1CCCCC1 ZINC000381001955 350223949 /nfs/dbraw/zinc/22/39/49/350223949.db2.gz OYBQLLFMFJFKPO-LLVKDONJSA-N 1 0 230.352 0.194 10 0 BCAERO Cc1nnc(NCCCN2CC[NH2+]CC2)s1 ZINC000083584602 350243226 /nfs/dbraw/zinc/24/32/26/350243226.db2.gz KTNZILCBUXBQKL-UHFFFAOYSA-N 1 0 241.364 0.554 10 0 BCAERO CC[N@H+](C)C[C@H](O)CN1C[C@@H](C)O[C@H](C)C1 ZINC000309278756 350252115 /nfs/dbraw/zinc/25/21/15/350252115.db2.gz SRUYEMSOPWLYNV-UTUOFQBUSA-N 1 0 230.352 0.408 10 0 BCAERO CS(=O)(=O)c1ccc(NC2C[NH2+]C2)c(F)c1 ZINC000309277797 350252259 /nfs/dbraw/zinc/25/22/59/350252259.db2.gz FWGFQKVBLQBNKZ-UHFFFAOYSA-N 1 0 244.291 0.613 10 0 BCAERO Nc1c[nH]c(C(=O)Nc2ccnn2C2C[NH2+]C2)c1 ZINC000725258812 538078270 /nfs/dbraw/zinc/07/82/70/538078270.db2.gz CFEWQFXODGJVLT-UHFFFAOYSA-N 1 0 246.274 0.190 10 0 BCAERO Cc1nccn1[C@H]1CC2(CC[C@@H]1[NH3+])OCCO2 ZINC000019256829 180271887 /nfs/dbraw/zinc/27/18/87/180271887.db2.gz YXISUKMQVJGIAG-QWRGUYRKSA-N 1 0 237.303 0.987 10 0 BCAERO O=C(NC[C@@H]1CCCOC1)[C@H]1CCC[NH2+]C1 ZINC000038046066 350303289 /nfs/dbraw/zinc/30/32/89/350303289.db2.gz QAJHNNNLYLNWGF-QWRGUYRKSA-N 1 0 226.320 0.529 10 0 BCAERO Cc1ncncc1C(=O)NCC[C@@H]1CCC[N@H+]1C ZINC000097694600 180292921 /nfs/dbraw/zinc/29/29/21/180292921.db2.gz WWCHCUGPBGCBCY-NSHDSACASA-N 1 0 248.330 0.999 10 0 BCAERO CCOC(=O)c1cccnc1N1CC[C@H]([NH3+])C1 ZINC000050244124 350316553 /nfs/dbraw/zinc/31/65/53/350316553.db2.gz BERRGTZVLFDVAQ-VIFPVBQESA-N 1 0 235.287 0.796 10 0 BCAERO CSCCCNC(=O)[C@H]1C[NH2+]C[C@@H]1C ZINC000069013855 350321190 /nfs/dbraw/zinc/32/11/90/350321190.db2.gz WRLKLFURGUWWLH-IUCAKERBSA-N 1 0 216.350 0.711 10 0 BCAERO Cc1ncn(CC[C@@](C)([NH3+])C(N)=O)c1C ZINC000051928282 180286751 /nfs/dbraw/zinc/28/67/51/180286751.db2.gz XWLZPZZBHFOYNC-SNVBAGLBSA-N 1 0 210.281 0.093 10 0 BCAERO [NH3+]C1CC(O)(C(F)(F)Br)C1 ZINC000225658152 350368962 /nfs/dbraw/zinc/36/89/62/350368962.db2.gz JWBGWNPZWQWJOM-UHFFFAOYSA-N 1 0 216.025 0.826 10 0 BCAERO COCCNC(=O)N[C@@]12CC[NH2+][C@H]1CCCC2 ZINC000725264171 538090991 /nfs/dbraw/zinc/09/09/91/538090991.db2.gz FEZXIFKZEOJQJT-JQWIXIFHSA-N 1 0 241.335 0.607 10 0 BCAERO Cc1ncsc1C[N@@H+]1C[C@H](O)C[C@@H]1CO ZINC000273480865 180318366 /nfs/dbraw/zinc/31/83/66/180318366.db2.gz LDEFCQHTRHVNDR-RKDXNWHRSA-N 1 0 228.317 0.379 10 0 BCAERO Cc1ncsc1C[NH2+]C[C@@H]1CN(C)CCO1 ZINC000085444914 180320514 /nfs/dbraw/zinc/32/05/14/180320514.db2.gz QIGQDOPTXKWXAN-SNVBAGLBSA-N 1 0 241.360 0.872 10 0 BCAERO Cc1nn(C)c(C)c1NC(=O)[C@H]1CCC[NH2+]C1 ZINC000040856945 180343961 /nfs/dbraw/zinc/34/39/61/180343961.db2.gz WNMBWCDPEAWTRU-JTQLQIEISA-N 1 0 236.319 0.975 10 0 BCAERO Cc1nn(C)c(C)c1[C@H]([NH2+]CC(C)C)C(N)=O ZINC000037946321 180349071 /nfs/dbraw/zinc/34/90/71/180349071.db2.gz WQQUHWLHVKWOHN-NSHDSACASA-N 1 0 238.335 0.809 10 0 BCAERO Cc1nn(C)c(N2CCCOCC2)c1CC[NH3+] ZINC000104258200 180354542 /nfs/dbraw/zinc/35/45/42/180354542.db2.gz CQODPMXBSQNCBI-UHFFFAOYSA-N 1 0 238.335 0.456 10 0 BCAERO Cc1nn(C)c(N[C@H]2C[NH+]3CCC2CC3)c1N ZINC000036749079 180360458 /nfs/dbraw/zinc/36/04/58/180360458.db2.gz ZGOHDPSEYCLLAR-JTQLQIEISA-N 1 0 235.335 0.817 10 0 BCAERO Cc1nn(C)c(NC[C@@H]2CC[N@H+](C)C2)c1N ZINC000037484579 180359082 /nfs/dbraw/zinc/35/90/82/180359082.db2.gz QVJVEXFKASSCJS-VIFPVBQESA-N 1 0 223.324 0.674 10 0 BCAERO CCOC1CC([NH2+]C[C@H]2CN(C)CCO2)C1 ZINC000162799247 350431278 /nfs/dbraw/zinc/43/12/78/350431278.db2.gz XYCPSAAYRSHYRS-MCIGGMRASA-N 1 0 228.336 0.474 10 0 BCAERO Cc1nn(C)c(C)c1C[NH2+][C@@H](C)C(=O)N(C)C ZINC000036793854 180340283 /nfs/dbraw/zinc/34/02/83/180340283.db2.gz QMACNFOSVNEEQQ-VIFPVBQESA-N 1 0 238.335 0.603 10 0 BCAERO Cc1nn(C)cc1C(=O)N[C@H]1CCCC[C@@H]1[NH3+] ZINC000185434407 180370791 /nfs/dbraw/zinc/37/07/91/180370791.db2.gz WUYUMNGMIDERSM-QWRGUYRKSA-N 1 0 236.319 0.728 10 0 BCAERO [NH3+]CCN1CCO[C@H](c2cccnc2)CC1 ZINC000616592168 350442617 /nfs/dbraw/zinc/44/26/17/350442617.db2.gz BUXBDVHNMUOERO-LBPRGKRZSA-N 1 0 221.304 0.804 10 0 BCAERO C[N@@H+]1CCc2nnc(N3CC[C@H](CO)C3)cc2C1 ZINC000725264893 538093216 /nfs/dbraw/zinc/09/32/16/538093216.db2.gz RSZSWEUYIURHIA-JTQLQIEISA-N 1 0 248.330 0.283 10 0 BCAERO Cc1nn(CC(=O)N(C)C)c(C)c1C[NH3+] ZINC000036868344 180383909 /nfs/dbraw/zinc/38/39/09/180383909.db2.gz LVOBBSSDZPQMLK-UHFFFAOYSA-N 1 0 210.281 0.047 10 0 BCAERO Cn1ccc(CC[NH2+][C@@H]2CCCC[C@H]2O)n1 ZINC000227229975 350489439 /nfs/dbraw/zinc/48/94/39/350489439.db2.gz HQPGHMOPABCQQF-VXGBXAGGSA-N 1 0 223.320 0.856 10 0 BCAERO Cc1cnc(-c2cnnn2[C@H]2CC[NH2+]C2)nc1 ZINC000725266151 538094432 /nfs/dbraw/zinc/09/44/32/538094432.db2.gz QEGLASATABXQQA-VIFPVBQESA-N 1 0 230.275 0.578 10 0 BCAERO Cc1nn(Cc2ncccn2)c(C)c1C[NH3+] ZINC000054461528 180392145 /nfs/dbraw/zinc/39/21/45/180392145.db2.gz XQYNDFRYIDZVAW-UHFFFAOYSA-N 1 0 217.276 0.797 10 0 BCAERO CC[C@H](COC)NC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000163223364 350509932 /nfs/dbraw/zinc/50/99/32/350509932.db2.gz UGUSUJUFLNANGB-MNOVXSKESA-N 1 0 243.351 0.757 10 0 BCAERO C[C@H](C[NH3+])S(=O)(=O)N1CCC[C@@H](C)C1 ZINC000227884694 350517824 /nfs/dbraw/zinc/51/78/24/350517824.db2.gz LPJAJDRXSUTCJY-RKDXNWHRSA-N 1 0 220.338 0.395 10 0 BCAERO Cc1cnc(-c2cnnn2C2CC[NH2+]CC2)nc1 ZINC000725266108 538094187 /nfs/dbraw/zinc/09/41/87/538094187.db2.gz NHMCKOQOELNZGX-UHFFFAOYSA-N 1 0 244.302 0.968 10 0 BCAERO Cc1cc(C)nc(-c2cnnn2[C@H]2CC[NH2+]C2)n1 ZINC000725266142 538094235 /nfs/dbraw/zinc/09/42/35/538094235.db2.gz PMJGLXMMJXCABG-JTQLQIEISA-N 1 0 244.302 0.886 10 0 BCAERO c1nnn(C2CC[NH2+]CC2)c1-c1cccnn1 ZINC000725265942 538094342 /nfs/dbraw/zinc/09/43/42/538094342.db2.gz AOUMKCHQFXHXJD-UHFFFAOYSA-N 1 0 230.275 0.660 10 0 BCAERO Cc1nn(C[C@@H]2CCOC2)c(C)c1C[NH3+] ZINC000054716395 180390240 /nfs/dbraw/zinc/39/02/40/180390240.db2.gz DQVCVCKZILPLFR-JTQLQIEISA-N 1 0 209.293 0.995 10 0 BCAERO Cc1nn(C[C@H](O)C[NH3+])c(C)c1Cl ZINC000050586547 180390810 /nfs/dbraw/zinc/39/08/10/180390810.db2.gz NKZAQUUFAUYHBI-SSDOTTSWSA-N 1 0 203.673 0.473 10 0 BCAERO CC[C@H](COC)NC(=O)[C@H]1C[NH2+]C[C@@H]1C ZINC000070626309 350556364 /nfs/dbraw/zinc/55/63/64/350556364.db2.gz FZQTZYTWYHUUCO-AEJSXWLSSA-N 1 0 214.309 0.383 10 0 BCAERO Cc1ccccc1C[C@@]1(CO)C[NH2+]CCO1 ZINC000616593457 350583642 /nfs/dbraw/zinc/58/36/42/350583642.db2.gz WEJBSBPXZQSQNG-ZDUSSCGKSA-N 1 0 221.300 0.888 10 0 BCAERO [NH3+]CCN1CCO[C@@H](c2cncnc2)CC1 ZINC000616593765 350585483 /nfs/dbraw/zinc/58/54/83/350585483.db2.gz AWZUACLOFIYZRJ-LLVKDONJSA-N 1 0 222.292 0.199 10 0 BCAERO OCC[N@@H+]1CCO[C@H](c2cccnn2)CC1 ZINC000616594054 350590172 /nfs/dbraw/zinc/59/01/72/350590172.db2.gz NAIGJOYCBZFSAP-NSHDSACASA-N 1 0 223.276 0.232 10 0 BCAERO OCC[N@@H+]1CCO[C@@H](c2cccnc2)CC1 ZINC000616594378 350594872 /nfs/dbraw/zinc/59/48/72/350594872.db2.gz FNWSEIUCOPEHNF-GFCCVEGCSA-N 1 0 222.288 0.837 10 0 BCAERO COCC[NH2+]CC[C@H](CO)[C@@H]1COC(C)(C)O1 ZINC000725266920 538097306 /nfs/dbraw/zinc/09/73/06/538097306.db2.gz MLPOPXKCDGOJEQ-MNOVXSKESA-N 1 0 247.335 0.373 10 0 BCAERO CCCS(=O)(=O)N1CCCCC[C@@H]1C[NH3+] ZINC000125067372 538098107 /nfs/dbraw/zinc/09/81/07/538098107.db2.gz PWZBWTOHLKCPCD-SNVBAGLBSA-N 1 0 234.365 0.930 10 0 BCAERO CS(=O)(=O)N1CCCCC[C@@H]1C[NH3+] ZINC000125068365 538098134 /nfs/dbraw/zinc/09/81/34/538098134.db2.gz UOESOOGMXCUMHM-MRVPVSSYSA-N 1 0 206.311 0.149 10 0 BCAERO Nc1ccc([C@H]2CCN(CC[NH3+])CCO2)cc1 ZINC000616596215 350631680 /nfs/dbraw/zinc/63/16/80/350631680.db2.gz RMGTXWAIAAFRHB-CYBMUJFWSA-N 1 0 235.331 0.991 10 0 BCAERO [NH3+]CCN1CCO[C@@H](c2cnoc2)CC1 ZINC000616596481 350634395 /nfs/dbraw/zinc/63/43/95/350634395.db2.gz WPQGGGWDMZNFQD-SNVBAGLBSA-N 1 0 211.265 0.397 10 0 BCAERO Cn1cccc1C(=O)CN1CCC[NH2+]CC1 ZINC000050153781 187463527 /nfs/dbraw/zinc/46/35/27/187463527.db2.gz SFWDZYGXPQDDGY-UHFFFAOYSA-N 1 0 221.304 0.503 10 0 BCAERO OCC[N@@H+]1CCCO[C@@H](c2c[nH]cn2)C1 ZINC000616598536 350675386 /nfs/dbraw/zinc/67/53/86/350675386.db2.gz MYQCWJQLMZVIGD-SNVBAGLBSA-N 1 0 211.265 0.165 10 0 BCAERO COc1ccc(CN2C[C@@H](C)[C@@H]([NH3+])C2)cn1 ZINC000234935177 350707118 /nfs/dbraw/zinc/70/71/18/350707118.db2.gz BVZWDILJIQANAF-KOLCDFICSA-N 1 0 221.304 0.869 10 0 BCAERO [NH3+]CCN1CCCO[C@@H](c2ccnnc2)C1 ZINC000616598640 350679868 /nfs/dbraw/zinc/67/98/68/350679868.db2.gz ONCQQMXWPTZHMT-LLVKDONJSA-N 1 0 222.292 0.199 10 0 BCAERO Cn1cc(C[NH2+][C@@H]2C[C@H]2CO)c(C(F)F)n1 ZINC000309511597 350685446 /nfs/dbraw/zinc/68/54/46/350685446.db2.gz PMXAYCPEGVLUKX-POYBYMJQSA-N 1 0 231.246 0.828 10 0 BCAERO CCc1cnc(CNC(=O)[C@@H]([NH3+])COC)s1 ZINC000234143098 350692011 /nfs/dbraw/zinc/69/20/11/350692011.db2.gz AHYQSMVABRNXBJ-QMMMGPOBSA-N 1 0 243.332 0.295 10 0 BCAERO C[C@H](CO)Nc1nccc(C[NH3+])c1Cl ZINC000235462740 350717468 /nfs/dbraw/zinc/71/74/68/350717468.db2.gz RFLYOXRYRFACLL-ZCFIWIBFSA-N 1 0 215.684 0.986 10 0 BCAERO CO[C@@H]1CCCN(C(=O)[C@H]2CCC[C@H]2[NH3+])C1 ZINC000246269306 187468143 /nfs/dbraw/zinc/46/81/43/187468143.db2.gz LQNPOJFZSJSNDJ-OUAUKWLOSA-N 1 0 226.320 0.751 10 0 BCAERO [NH3+]CC(=O)Nc1ccc(C2OCCO2)cc1 ZINC000236176176 350731298 /nfs/dbraw/zinc/73/12/98/350731298.db2.gz GXTJAOPCELSKAV-UHFFFAOYSA-N 1 0 222.244 0.629 10 0 BCAERO O=C1CC[NH2+]CCN1Cc1ccccn1 ZINC000106884593 350818693 /nfs/dbraw/zinc/81/86/93/350818693.db2.gz IYIYUMWETKSVFA-UHFFFAOYSA-N 1 0 205.261 0.404 10 0 BCAERO C[C@H]1[C@@H](N(C)C)CC[N@@H+]1CC(N)=S ZINC000306673379 350819765 /nfs/dbraw/zinc/81/97/65/350819765.db2.gz NKVSMSLYKVFDRL-YUMQZZPRSA-N 1 0 201.339 0.297 10 0 BCAERO CC[N@@H+]1CCC[C@@H]2CCC[C@H](S(N)(=O)=O)[C@@H]21 ZINC000238856542 350775280 /nfs/dbraw/zinc/77/52/80/350775280.db2.gz WEJXJTDMDMMTMY-GARJFASQSA-N 1 0 246.376 0.928 10 0 BCAERO [NH3+]CCN1CCC[C@@H](n2cccn2)CC1 ZINC000616600577 350780667 /nfs/dbraw/zinc/78/06/67/350780667.db2.gz GRMYERFLFJOWFU-LLVKDONJSA-N 1 0 208.309 0.869 10 0 BCAERO OCCc1ccccc1[C@H]1COCC[NH2+]1 ZINC000616601741 350786612 /nfs/dbraw/zinc/78/66/12/350786612.db2.gz OSDZVXVYGGAIQY-GFCCVEGCSA-N 1 0 207.273 0.882 10 0 BCAERO OCC[N@@H+]1CCCC[C@H](c2ncc[nH]2)C1 ZINC000616603202 350788844 /nfs/dbraw/zinc/78/88/44/350788844.db2.gz CQQZXBYHXGSTKF-JTQLQIEISA-N 1 0 209.293 0.972 10 0 BCAERO [NH3+]CCN1CCCC[C@H](c2cn[nH]c2)C1 ZINC000616604937 350794188 /nfs/dbraw/zinc/79/41/88/350794188.db2.gz UWRFTMKONMYTQV-JTQLQIEISA-N 1 0 208.309 0.938 10 0 BCAERO CN1CC[NH2+]C[C@H]1c1ccc(C(N)=O)cc1 ZINC000616605438 350794960 /nfs/dbraw/zinc/79/49/60/350794960.db2.gz XKDARIKVGXRVCX-NSHDSACASA-N 1 0 219.288 0.362 10 0 BCAERO NC(=O)c1ccccc1[C@@H]1CCC[N@@H+]1CCO ZINC000616607121 350800306 /nfs/dbraw/zinc/80/03/06/350800306.db2.gz HEKUSCSOVNZEKQ-LBPRGKRZSA-N 1 0 234.299 0.915 10 0 BCAERO NC(=O)c1ccc([C@H]2CCCN2CC[NH3+])cc1 ZINC000616607721 350801764 /nfs/dbraw/zinc/80/17/64/350801764.db2.gz LVMQNPLEURCZHJ-GFCCVEGCSA-N 1 0 233.315 0.881 10 0 BCAERO Nc1cccc([C@@H]2CCCN2CC[NH3+])n1 ZINC000616607808 350801772 /nfs/dbraw/zinc/80/17/72/350801772.db2.gz MVGKLANDOHKFJI-JTQLQIEISA-N 1 0 206.293 0.759 10 0 BCAERO [NH3+]CCN1CCCC[C@@H]1c1cccnn1 ZINC000616614686 350837073 /nfs/dbraw/zinc/83/70/73/350837073.db2.gz JMZJHIFGMCHKIQ-LLVKDONJSA-N 1 0 206.293 0.962 10 0 BCAERO CC[C@@H]1CN(C(=O)C(C)C)CC[N@@H+]1C[C@H](C)O ZINC000246920097 350841970 /nfs/dbraw/zinc/84/19/70/350841970.db2.gz QPCSLGXFYLASPV-NWDGAFQWSA-N 1 0 242.363 0.946 10 0 BCAERO C[C@@H](C(N)=O)[N@H+](C)C1CCSCC1 ZINC000306685347 350842353 /nfs/dbraw/zinc/84/23/53/350842353.db2.gz CJQRZAJQZJQVNM-ZETCQYMHSA-N 1 0 202.323 0.688 10 0 BCAERO CO[C@H]1CCC[C@@H]([N@H+](C)CCN(C)CCO)C1 ZINC000623090195 350858664 /nfs/dbraw/zinc/85/86/64/350858664.db2.gz CHHLQSHENWJQNK-OLZOCXBDSA-N 1 0 244.379 0.800 10 0 BCAERO CO[C@@H]1CCC[C@@H]([N@H+](C)CCN(C)CCO)C1 ZINC000623090194 350858828 /nfs/dbraw/zinc/85/88/28/350858828.db2.gz CHHLQSHENWJQNK-CHWSQXEVSA-N 1 0 244.379 0.800 10 0 BCAERO CN(CCO)CC[N@H+](C)CC(C)(C)C ZINC000623090980 350862012 /nfs/dbraw/zinc/86/20/12/350862012.db2.gz IOHORDMISHRTCD-UHFFFAOYSA-N 1 0 202.342 0.888 10 0 BCAERO Nc1cccc([C@@H]2CC[N@H+](CCO)C2)n1 ZINC000616614155 350827880 /nfs/dbraw/zinc/82/78/80/350827880.db2.gz GAZZSNFBRIOQMI-SECBINFHSA-N 1 0 207.277 0.445 10 0 BCAERO CC1(C)SC[C@H]1N1CC[C@H]([NH3+])C1=O ZINC000306732746 350902401 /nfs/dbraw/zinc/90/24/01/350902401.db2.gz HJFRVYOZLJARJA-NKWVEPMBSA-N 1 0 200.307 0.440 10 0 BCAERO CC1(C)SC[C@@H]1N1CC[C@@H]([NH3+])C1=O ZINC000306732748 350902656 /nfs/dbraw/zinc/90/26/56/350902656.db2.gz HJFRVYOZLJARJA-RQJHMYQMSA-N 1 0 200.307 0.440 10 0 BCAERO C[C@@H]1CS[C@H]2CS(=O)(=O)CC[C@H]2[NH2+]1 ZINC000251822728 350904234 /nfs/dbraw/zinc/90/42/34/350904234.db2.gz PBLMAEMPCZOENJ-PRJMDXOYSA-N 1 0 221.347 0.267 10 0 BCAERO COC(=O)[C@H](C)NC(=O)C[C@@H]([NH3+])C(C)C ZINC000128944492 350910519 /nfs/dbraw/zinc/91/05/19/350910519.db2.gz LQXLTBHPDNDNIK-JGVFFNPUSA-N 1 0 216.281 0.038 10 0 BCAERO CC[C@@H](C(N)=S)[N@@H+]1CCOC[C@H]1C ZINC000252449217 350911029 /nfs/dbraw/zinc/91/10/29/350911029.db2.gz VVCLJJYYGCTZFX-SFYZADRCSA-N 1 0 202.323 0.772 10 0 BCAERO C[C@H](C(N)=S)[N@H+](C)[C@@H]1CCO[C@H]1C ZINC000252744559 350914973 /nfs/dbraw/zinc/91/49/73/350914973.db2.gz NXBLUDFFCNBONQ-GJMOJQLCSA-N 1 0 202.323 0.770 10 0 BCAERO C[C@@H]1C[N@H+](C)CC[C@H]1N1CC(=O)CC1=O ZINC000253310017 350920459 /nfs/dbraw/zinc/92/04/59/350920459.db2.gz TYEOSHVULILSMK-PSASIEDQSA-N 1 0 210.277 0.128 10 0 BCAERO [NH3+]CCN1CCC(c2cncnc2)CC1 ZINC000616619074 350926525 /nfs/dbraw/zinc/92/65/25/350926525.db2.gz AYCJRMVZQPTGBQ-UHFFFAOYSA-N 1 0 206.293 0.615 10 0 BCAERO [NH3+]CCN1CCC(c2ccnnc2)CC1 ZINC000616619624 350927585 /nfs/dbraw/zinc/92/75/85/350927585.db2.gz PJRJULWPOQXECL-UHFFFAOYSA-N 1 0 206.293 0.615 10 0 BCAERO OCC[NH+]1CCC(c2cncnc2)CC1 ZINC000616619854 350928417 /nfs/dbraw/zinc/92/84/17/350928417.db2.gz RWJTYNUUSHYTAA-UHFFFAOYSA-N 1 0 207.277 0.648 10 0 BCAERO OCC[N@@H+]1CCC[C@@H](c2cccnn2)C1 ZINC000616620034 350929126 /nfs/dbraw/zinc/92/91/26/350929126.db2.gz FASFEYKKWXYZMQ-SNVBAGLBSA-N 1 0 207.277 0.648 10 0 BCAERO C[N@H+](C[C@H]1COCCN1)[C@H]1CCSC1 ZINC000250486905 350881458 /nfs/dbraw/zinc/88/14/58/350881458.db2.gz XASWYVICAUJIHT-UWVGGRQHSA-N 1 0 216.350 0.412 10 0 BCAERO C[N@@H+]1CC[C@H](n2ccc(=O)[nH]c2=S)C1 ZINC000052313217 350979758 /nfs/dbraw/zinc/97/97/58/350979758.db2.gz GZHCJVYIRVYTLH-ZETCQYMHSA-N 1 0 211.290 0.782 10 0 BCAERO C[C@@H]1CN(CC(C)(C)C[NH3+])S(=O)(=O)C1 ZINC000129232022 351008636 /nfs/dbraw/zinc/00/86/36/351008636.db2.gz GFBFUTZQDAXYQG-MRVPVSSYSA-N 1 0 220.338 0.253 10 0 BCAERO O=C1OCC[C@@H]1SC1=[NH+]CCCN1 ZINC000306763352 350993853 /nfs/dbraw/zinc/99/38/53/350993853.db2.gz FZRLFQHVGMNNPN-LURJTMIESA-N 1 0 200.263 0.384 10 0 BCAERO C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(F)(F)F ZINC000306764405 350999743 /nfs/dbraw/zinc/99/97/43/350999743.db2.gz HEZQCPPTUMEYFG-WDSKDSINSA-N 1 0 210.199 0.805 10 0 BCAERO C[C@@H]1CN([S@](=O)C2CCCC2)C[C@@H]1[NH3+] ZINC000306772032 351009735 /nfs/dbraw/zinc/00/97/35/351009735.db2.gz CXQXILADWNGTCJ-IPURGOFSSA-N 1 0 216.350 0.872 10 0 BCAERO CO[C@H]1C[C@@H](CN(C)c2nnc(C)o2)[N@H+](C)C1 ZINC000343889477 351002695 /nfs/dbraw/zinc/00/26/95/351002695.db2.gz QVMCTSBOBKZNOT-UWVGGRQHSA-N 1 0 240.307 0.533 10 0 BCAERO [NH3+]CC(=O)N1CCC=C(Br)C1 ZINC000404149824 351003017 /nfs/dbraw/zinc/00/30/17/351003017.db2.gz OJAXAQUIJZDKHB-UHFFFAOYSA-N 1 0 219.082 0.456 10 0 BCAERO NC(=O)c1cccc([C@H]2CCCN(CC[NH3+])C2)c1 ZINC000616620641 350945366 /nfs/dbraw/zinc/94/53/66/350945366.db2.gz JLLMHHDXHADXBS-ZDUSSCGKSA-N 1 0 247.342 0.924 10 0 BCAERO COC(=O)CCCNC(=O)C[C@@H]([NH3+])C(C)C ZINC000128991036 350955779 /nfs/dbraw/zinc/95/57/79/350955779.db2.gz LKZHRDJXWLHIQO-SECBINFHSA-N 1 0 230.308 0.429 10 0 BCAERO CC[S@](=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000306775514 351017011 /nfs/dbraw/zinc/01/70/11/351017011.db2.gz WXZLWNMARMJKIJ-ZDMBXUJBSA-N 1 0 202.323 0.354 10 0 BCAERO Nc1ncc([C@@]2(O)CCC[C@H]([NH3+])C2)s1 ZINC000159852962 351017738 /nfs/dbraw/zinc/01/77/38/351017738.db2.gz OLVINXXIFKQRQG-IMTBSYHQSA-N 1 0 213.306 0.814 10 0 BCAERO C[C@@H]1C[NH2+]C[C@@H](CN=S(C)(C)=O)C1 ZINC000306783975 351034237 /nfs/dbraw/zinc/03/42/37/351034237.db2.gz RPUSCSLAADNZIG-IUCAKERBSA-N 1 0 204.339 0.960 10 0 BCAERO C(SC1=[NH+]CCN1)[C@@H]1CCOCO1 ZINC000306783735 351034580 /nfs/dbraw/zinc/03/45/80/351034580.db2.gz LOOQKGVTKUQMOZ-ZETCQYMHSA-N 1 0 202.279 0.442 10 0 BCAERO O=C(C1C[NH2+]C1)N1CCC=C(Cl)C1 ZINC000404161452 351039264 /nfs/dbraw/zinc/03/92/64/351039264.db2.gz BNAIGFOVRCMEQE-UHFFFAOYSA-N 1 0 200.669 0.561 10 0 BCAERO COC1(C)CN([C@H]2C[NH2+]C[C@@H]2SC)C1 ZINC000306791811 351040898 /nfs/dbraw/zinc/04/08/98/351040898.db2.gz ZCQYASHUFMLPAO-IUCAKERBSA-N 1 0 216.350 0.411 10 0 BCAERO CC(C)[S@](=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000306793509 351042073 /nfs/dbraw/zinc/04/20/73/351042073.db2.gz FCDHRDVECCQVLD-ZANVPECISA-N 1 0 204.339 0.729 10 0 BCAERO Cn1ncc(Br)c1[C@@H]1C[C@@H]1[NH3+] ZINC000306797070 351053192 /nfs/dbraw/zinc/05/31/92/351053192.db2.gz XMPQNGXASXBRBY-XINAWCOVSA-N 1 0 216.082 0.997 10 0 BCAERO NC(=[NH2+])C[C@H]1CCN(c2nncs2)C1 ZINC000306805823 351057076 /nfs/dbraw/zinc/05/70/76/351057076.db2.gz ATIMSARMGXAKCN-ZCFIWIBFSA-N 1 0 211.294 0.690 10 0 BCAERO CCC[S@](=O)N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000306808725 351060165 /nfs/dbraw/zinc/06/01/65/351060165.db2.gz PXTZSFIKWSXJDW-KKFJDGPESA-N 1 0 204.339 0.742 10 0 BCAERO CC(C)[C@@](O)(C[NH3+])c1cnc(N)s1 ZINC000159862102 351014710 /nfs/dbraw/zinc/01/47/10/351014710.db2.gz KJBIUBDEIBPIIN-QMMMGPOBSA-N 1 0 201.295 0.528 10 0 BCAERO [NH3+]CCN1CCCC[C@@H](n2cccn2)C1 ZINC000616630972 351104640 /nfs/dbraw/zinc/10/46/40/351104640.db2.gz WNJKCOCJYKFWDQ-LLVKDONJSA-N 1 0 208.309 0.869 10 0 BCAERO Nc1ccc([C@@H]2CN(CCO)CC[NH2+]2)cc1 ZINC000616633531 351115094 /nfs/dbraw/zinc/11/50/94/351115094.db2.gz BTFOVWWDYVXVAQ-LBPRGKRZSA-N 1 0 221.304 0.207 10 0 BCAERO OCCN1CC[NH2+][C@H](c2ccc(CO)cc2)C1 ZINC000616634241 351117209 /nfs/dbraw/zinc/11/72/09/351117209.db2.gz OENHHNQQINZIAM-ZDUSSCGKSA-N 1 0 236.315 0.118 10 0 BCAERO CS(=O)(=O)[C@@H]1CCCCCN1CC[NH3+] ZINC000616625565 351093900 /nfs/dbraw/zinc/09/39/00/351093900.db2.gz QDEPOVJWDIKJGL-SECBINFHSA-N 1 0 220.338 0.192 10 0 BCAERO OCC[N@@H+]1CCC[C@H](c2ncc[nH]2)CC1 ZINC000616628795 351099305 /nfs/dbraw/zinc/09/93/05/351099305.db2.gz PHJDGJMESOZYLK-JTQLQIEISA-N 1 0 209.293 0.972 10 0 BCAERO [NH3+][C@@H]1CCCN(Cc2csc(=O)[nH]2)C1 ZINC000231716032 351163373 /nfs/dbraw/zinc/16/33/73/351163373.db2.gz XVXIOLCMRCFMPB-SSDOTTSWSA-N 1 0 213.306 0.360 10 0 BCAERO Nc1cccc([C@@H]2COCCC[N@@H+]2CCO)n1 ZINC000616644878 351165868 /nfs/dbraw/zinc/16/58/68/351165868.db2.gz IPFSQOQGNMWJOS-NSHDSACASA-N 1 0 237.303 0.420 10 0 BCAERO [NH3+]CCN1CCCOC[C@H]1c1cn[nH]c1 ZINC000616645396 351167793 /nfs/dbraw/zinc/16/77/93/351167793.db2.gz NHCIUGDYLHZZJX-JTQLQIEISA-N 1 0 210.281 0.132 10 0 BCAERO CC(C)(C)OC(=O)NCCN1CCO[C@@H]([NH3+])C1 ZINC000616645571 351168564 /nfs/dbraw/zinc/16/85/64/351168564.db2.gz DMVLBUUHNAMFRQ-SECBINFHSA-N 1 0 245.323 0.128 10 0 BCAERO OCC[N@@H+]1CCCOC[C@@H]1c1ccncc1 ZINC000616646761 351172318 /nfs/dbraw/zinc/17/23/18/351172318.db2.gz VQQVLMLXLAXTMO-GFCCVEGCSA-N 1 0 222.288 0.837 10 0 BCAERO [NH3+]CCN1CCO[C@H](c2cccc(CO)c2)C1 ZINC000616648494 351176342 /nfs/dbraw/zinc/17/63/42/351176342.db2.gz NCSPUNUOTKPHOG-ZDUSSCGKSA-N 1 0 236.315 0.511 10 0 BCAERO CC(=O)N1CCCO[C@H](c2c[nH]cn2)C1 ZINC000616650945 351180872 /nfs/dbraw/zinc/18/08/72/351180872.db2.gz MLLVSBTVDDZZOP-JTQLQIEISA-N 1 0 209.249 0.720 10 0 BCAERO C[C@H](C[NH3+])CNc1ncnc2c1CCC2 ZINC000083387622 351183420 /nfs/dbraw/zinc/18/34/20/351183420.db2.gz OLRDBCJUTNEYJX-MRVPVSSYSA-N 1 0 206.293 0.972 10 0 BCAERO C[C@@H]1C[S@@](=O)CCN1C[C@@H]1CC[NH2+]C1 ZINC000306858171 351184462 /nfs/dbraw/zinc/18/44/62/351184462.db2.gz YZVMQRNSJFWWBT-RULNRJAQSA-N 1 0 216.350 0.049 10 0 BCAERO NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000616650754 351185021 /nfs/dbraw/zinc/18/50/21/351185021.db2.gz GEMGXLNCNFQKME-GFCCVEGCSA-N 1 0 234.299 0.763 10 0 BCAERO CC(C)[N@@H+]1CCCO[C@@H](c2nc[nH]n2)C1 ZINC000616653911 351194828 /nfs/dbraw/zinc/19/48/28/351194828.db2.gz YXOOMJIMCCKQHH-SECBINFHSA-N 1 0 210.281 0.977 10 0 BCAERO CCOC(=O)[C@H]1C[N@H+](CC)CCCO1 ZINC000616651949 351189844 /nfs/dbraw/zinc/18/98/44/351189844.db2.gz BYRMSHMMYFTCEP-SECBINFHSA-N 1 0 201.266 0.660 10 0 BCAERO [NH3+]CCN1CC[NH2+]C[C@H]1c1cccc(C(=O)[O-])c1 ZINC000616636621 351128192 /nfs/dbraw/zinc/12/81/92/351128192.db2.gz XEWBLCNXQSXBBJ-LBPRGKRZSA-N 1 0 249.314 0.290 10 0 BCAERO COC(=O)N1CCNC[C@@H]1c1cnco1 ZINC000616637053 351131504 /nfs/dbraw/zinc/13/15/04/351131504.db2.gz PVTJBKNSUWMVJO-SSDOTTSWSA-N 1 0 211.221 0.387 10 0 BCAERO CNc1ccccc1[C@H]1C[NH2+]CCN1C(N)=O ZINC000616637688 351135000 /nfs/dbraw/zinc/13/50/00/351135000.db2.gz AYEPMZMLXHTTKP-LLVKDONJSA-N 1 0 234.303 0.753 10 0 BCAERO CNc1ccccc1[C@@H]1C[NH2+]CCN1C(N)=O ZINC000616637957 351136504 /nfs/dbraw/zinc/13/65/04/351136504.db2.gz AYEPMZMLXHTTKP-NSHDSACASA-N 1 0 234.303 0.753 10 0 BCAERO [NH3+]CCN1CCOC[C@@H]1OC(F)(F)F ZINC000616639606 351143976 /nfs/dbraw/zinc/14/39/76/351143976.db2.gz NAYUWBVHNOMHTA-LURJTMIESA-N 1 0 214.187 0.140 10 0 BCAERO [NH3+]CCN1CCOCC[C@@H]1c1cnoc1 ZINC000616657782 351199890 /nfs/dbraw/zinc/19/98/90/351199890.db2.gz ONWWIWQYFCOOHN-SNVBAGLBSA-N 1 0 211.265 0.397 10 0 BCAERO OCC[N@@H+]1CCOCC[C@H]1c1ccncc1 ZINC000616656098 351201577 /nfs/dbraw/zinc/20/15/77/351201577.db2.gz IXLRNFZBIAKHCD-LBPRGKRZSA-N 1 0 222.288 0.837 10 0 BCAERO OCC[N@@H+]1CCCC[C@@H](c2nnc[nH]2)C1 ZINC000616656215 351202678 /nfs/dbraw/zinc/20/26/78/351202678.db2.gz UJWZKUUIKZSOFC-SECBINFHSA-N 1 0 210.281 0.367 10 0 BCAERO Nc1ccc([C@H]2COCC[N@H+](CCO)C2)cc1 ZINC000616658308 351203838 /nfs/dbraw/zinc/20/38/38/351203838.db2.gz CYTGCECZMIOGLP-GFCCVEGCSA-N 1 0 236.315 0.677 10 0 BCAERO C[N@@H+]1CCOC[C@H](c2cccc(N)n2)C1 ZINC000616658394 351204016 /nfs/dbraw/zinc/20/40/16/351204016.db2.gz LPSRSZVXZTYJOI-SECBINFHSA-N 1 0 207.277 0.709 10 0 BCAERO CC[S@@](C)(=O)=NC(=O)[C@H]1CCC[NH2+]C1 ZINC000306859660 351204168 /nfs/dbraw/zinc/20/41/68/351204168.db2.gz BWLMHQSPJBVUEL-RMLUDKJBSA-N 1 0 218.322 0.630 10 0 BCAERO COC(=O)[C@H]1COCC[N@@H+](C(C)(C)C)C1 ZINC000616659034 351205527 /nfs/dbraw/zinc/20/55/27/351205527.db2.gz GMLZNINMZCTCFJ-SECBINFHSA-N 1 0 215.293 0.906 10 0 BCAERO OCC[N@@H+]1CCOC[C@H](c2ccccn2)C1 ZINC000616661402 351209629 /nfs/dbraw/zinc/20/96/29/351209629.db2.gz RNKMCGPQLOPLAR-LLVKDONJSA-N 1 0 222.288 0.490 10 0 BCAERO Nc1ccccc1[C@@H]1COCC[N@H+](CCO)C1 ZINC000616661370 351209761 /nfs/dbraw/zinc/20/97/61/351209761.db2.gz QSTNHGPWJPIPNL-NSHDSACASA-N 1 0 236.315 0.677 10 0 BCAERO CC(C)[N@@H+]1CCOC[C@H](c2c[nH]nn2)C1 ZINC000616660615 351212063 /nfs/dbraw/zinc/21/20/63/351212063.db2.gz OMXWAOOVAGTBBP-SECBINFHSA-N 1 0 210.281 0.629 10 0 BCAERO COC(=O)[C@@H]1COCC[N@@H+](C(C)C)C1 ZINC000616661747 351212361 /nfs/dbraw/zinc/21/23/61/351212361.db2.gz RKUCPOGYRIUBIJ-VIFPVBQESA-N 1 0 201.266 0.516 10 0 BCAERO C[N@@H+]1CCOC[C@H](Nc2ccccn2)C1 ZINC000616661053 351214296 /nfs/dbraw/zinc/21/42/96/351214296.db2.gz ZQDGNNYDRJJDKB-SNVBAGLBSA-N 1 0 207.277 0.824 10 0 BCAERO [NH3+]CCN1CCOC[C@H](Nc2ccccn2)C1 ZINC000616663617 351216167 /nfs/dbraw/zinc/21/61/67/351216167.db2.gz LRDONMDSEFJACO-LLVKDONJSA-N 1 0 236.319 0.153 10 0 BCAERO [NH3+]CCN1CCOC[C@@H](c2ccncc2)C1 ZINC000616663891 351216977 /nfs/dbraw/zinc/21/69/77/351216977.db2.gz ORIFNYFMHLGZAR-LBPRGKRZSA-N 1 0 221.304 0.456 10 0 BCAERO Nc1cccc([C@H]2COCCN(CC[NH3+])C2)n1 ZINC000616662366 351217545 /nfs/dbraw/zinc/21/75/45/351217545.db2.gz ATUALRKVIIFDJM-SNVBAGLBSA-N 1 0 236.319 0.038 10 0 BCAERO OCCc1cccc([C@@H]2C[NH2+]CCOC2)c1 ZINC000616664186 351219302 /nfs/dbraw/zinc/21/93/02/351219302.db2.gz WUKXDTJUFFMJLE-CYBMUJFWSA-N 1 0 221.300 0.925 10 0 BCAERO [NH3+]CCN1CCOC[C@H](c2ncco2)C1 ZINC000616664594 351219843 /nfs/dbraw/zinc/21/98/43/351219843.db2.gz YPDCOVXZSBSIHR-SECBINFHSA-N 1 0 211.265 0.049 10 0 BCAERO CC(=O)N[C@H]1CC[N@@H+](C(C)(C)C)CCO1 ZINC000616666375 351226726 /nfs/dbraw/zinc/22/67/26/351226726.db2.gz PUIAOBNVSSEGNN-SNVBAGLBSA-N 1 0 214.309 0.969 10 0 BCAERO C[C@@H](CC(N)=S)[N@@H+]1C[C@@H](O)C(C)(C)C1 ZINC000306885381 351292064 /nfs/dbraw/zinc/29/20/64/351292064.db2.gz RHJPYYAEYROJID-JGVFFNPUSA-N 1 0 216.350 0.754 10 0 BCAERO C[S@@](=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000402840348 363021152 /nfs/dbraw/zinc/02/11/52/363021152.db2.gz WYQHHIGJKDLFBK-MWODSPESSA-N 1 0 202.323 0.341 10 0 BCAERO C[C@@H]1CN(C(=O)C(F)(F)F)C[C@@]1(C)C[NH3+] ZINC000306914481 351327527 /nfs/dbraw/zinc/32/75/27/351327527.db2.gz RQDDEOXEGWAMAV-HTRCEHHLSA-N 1 0 224.226 0.992 10 0 BCAERO CC[S@@](C)(=O)=NC(=O)[C@@H]1CCC[NH2+]1 ZINC000306875243 351268929 /nfs/dbraw/zinc/26/89/29/351268929.db2.gz GRADFQQKXISGGX-WPPNPWJKSA-N 1 0 204.295 0.383 10 0 BCAERO C[C@@H]1CSC[C@@H]1[NH2+][C@@H]1CCOC[C@@H]1O ZINC000628467312 358462615 /nfs/dbraw/zinc/46/26/15/358462615.db2.gz TZBMXXLKXZPSQB-IMSYWVGJSA-N 1 0 217.334 0.477 10 0 BCAERO CN(C)C(=O)CCC[NH2+]CC(C)(C)O ZINC000083464594 351368457 /nfs/dbraw/zinc/36/84/57/351368457.db2.gz KQYFWJCYISBRSQ-UHFFFAOYSA-N 1 0 202.298 0.215 10 0 BCAERO c1nc(CCNC2=[NH+]CCCS2)no1 ZINC000231843582 351405724 /nfs/dbraw/zinc/40/57/24/351405724.db2.gz ARHUQRHPFNJNHZ-UHFFFAOYSA-N 1 0 212.278 0.695 10 0 BCAERO CN(CC(F)F)c1[nH+]ccc(N)c1N ZINC000306982767 351401022 /nfs/dbraw/zinc/40/10/22/351401022.db2.gz JUMQLPKASYPVFI-UHFFFAOYSA-N 1 0 202.208 0.947 10 0 BCAERO CC(C)[S@@](=O)N1C[C@@H]([NH3+])CC[C@H]1C ZINC000306981143 351401193 /nfs/dbraw/zinc/40/11/93/351401193.db2.gz HHEGBBQDAOFRBL-VYUIOLGVSA-N 1 0 204.339 0.870 10 0 BCAERO CC[C@@H](C)[NH2+][C@@H](C)C(=O)NCCOC ZINC000034937505 351352518 /nfs/dbraw/zinc/35/25/18/351352518.db2.gz SGABZUKSSVNNIR-BDAKNGLRSA-N 1 0 202.298 0.526 10 0 BCAERO O[C@@H]1C[NH2+]C[C@H]1N1CCC=C(Br)C1 ZINC000404424220 351439949 /nfs/dbraw/zinc/43/99/49/351439949.db2.gz LGILFKZKAPISJX-RKDXNWHRSA-N 1 0 247.136 0.304 10 0 BCAERO CC1(NC(=O)[C@H]2CSCC[NH2+]2)CC1 ZINC000228855515 351441760 /nfs/dbraw/zinc/44/17/60/351441760.db2.gz CMZFQHUCXJGCSU-SSDOTTSWSA-N 1 0 200.307 0.360 10 0 BCAERO [NH3+][C@@H](CC1OCCO1)c1ccns1 ZINC000306992178 351409533 /nfs/dbraw/zinc/40/95/33/351409533.db2.gz WCFICEDPXPNOQE-LURJTMIESA-N 1 0 200.263 0.906 10 0 BCAERO C[C@@H]1C[C@H](C(=O)N=S(C)(C)=O)CC[NH2+]1 ZINC000306998517 351412302 /nfs/dbraw/zinc/41/23/02/351412302.db2.gz CAXXCTGIFLBKPL-HTQZYQBOSA-N 1 0 218.322 0.629 10 0 BCAERO C[C@@H](CNC1C[NH2+]C1)N(C)C(=O)OC(C)(C)C ZINC000306997441 351412996 /nfs/dbraw/zinc/41/29/96/351412996.db2.gz WEFMYOAXWOWRJF-VIFPVBQESA-N 1 0 243.351 0.803 10 0 BCAERO O=c1ccc(C[NH2+][C@@H]2CCSC2)n[nH]1 ZINC000307012225 351420161 /nfs/dbraw/zinc/42/01/61/351420161.db2.gz KQJRZSRSVXEQGM-MRVPVSSYSA-N 1 0 211.290 0.365 10 0 BCAERO Cc1cnc([C@H]2OC[C@H](C[NH3+])O2)s1 ZINC000307015870 351421972 /nfs/dbraw/zinc/42/19/72/351421972.db2.gz UJBVVVFDEKLVCF-XPUUQOCRSA-N 1 0 200.263 0.824 10 0 BCAERO CC(C)[S@](=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000307137326 351494254 /nfs/dbraw/zinc/49/42/54/351494254.db2.gz WXRMZJUFBJQWSI-RWEMILLDSA-N 1 0 202.323 0.210 10 0 BCAERO C[C@H]1SCC[C@H]1[NH2+]C1CS(=O)(=O)C1 ZINC000307138324 351495326 /nfs/dbraw/zinc/49/53/26/351495326.db2.gz AFUIAOKKKVXVTA-HTRCEHHLSA-N 1 0 221.347 0.267 10 0 BCAERO C[S@](=O)N1CC[NH2+][C@H]2CCCC[C@@H]21 ZINC000307141689 351500264 /nfs/dbraw/zinc/50/02/64/351500264.db2.gz DIWMHDYDKLRMMI-RVBZMBCESA-N 1 0 202.323 0.496 10 0 BCAERO C[C@@H]1C[S@@](=O)CCN1CC(C)(C)[NH3+] ZINC000307149122 351503116 /nfs/dbraw/zinc/50/31/16/351503116.db2.gz REFUEBATCUYZNQ-OQPBUACISA-N 1 0 204.339 0.177 10 0 BCAERO C[C@H]1C[S@@](=O)CCN1CC(C)(C)[NH3+] ZINC000307149123 351503323 /nfs/dbraw/zinc/50/33/23/351503323.db2.gz REFUEBATCUYZNQ-SDBXPKJASA-N 1 0 204.339 0.177 10 0 BCAERO COC[C@H]([NH3+])C(=O)Nc1cc(C)ccc1O ZINC000088005027 351512296 /nfs/dbraw/zinc/51/22/96/351512296.db2.gz KUGUQJNEJRZISY-QMMMGPOBSA-N 1 0 224.260 0.613 10 0 BCAERO O=C(N1CC[C@@H]2CC[NH2+][C@H]2C1)C(F)(F)F ZINC000307099339 351477931 /nfs/dbraw/zinc/47/79/31/351477931.db2.gz RYANGMKIUDRKMV-BQBZGAKWSA-N 1 0 222.210 0.759 10 0 BCAERO COC[C@@H]([NH3+])C(=O)NCc1ccccc1F ZINC000088002386 351482252 /nfs/dbraw/zinc/48/22/52/351482252.db2.gz POOHRUOEQLOHIQ-SNVBAGLBSA-N 1 0 226.251 0.416 10 0 BCAERO CCOC(=O)COCCN1CC[C@H]([NH+](C)C)C1 ZINC000094805437 363048405 /nfs/dbraw/zinc/04/84/05/363048405.db2.gz QATLQKZUBPWCBV-NSHDSACASA-N 1 0 244.335 0.202 10 0 BCAERO Cn1cnc(C(=O)C2(C)CC[NH2+]CC2)c1 ZINC000307126284 351491591 /nfs/dbraw/zinc/49/15/91/351491591.db2.gz CPISXIKPVIZAQR-UHFFFAOYSA-N 1 0 207.277 0.993 10 0 BCAERO C[C@@]1(O)CCC[C@H]1SC1=[NH+]CCN1 ZINC000307162974 351528265 /nfs/dbraw/zinc/52/82/65/351528265.db2.gz HYAFTLTUYXLXQA-VXNVDRBHSA-N 1 0 200.307 0.982 10 0 BCAERO Nc1n[nH]c(S[C@H]2CCCC[C@@H]2[NH3+])n1 ZINC000232017233 351530636 /nfs/dbraw/zinc/53/06/36/351530636.db2.gz KEZNYICYLDWLDC-WDSKDSINSA-N 1 0 213.310 0.749 10 0 BCAERO C[C@@H]1CCN(C(=O)C(C)(C)F)C[C@H]1[NH3+] ZINC000307180112 351566980 /nfs/dbraw/zinc/56/69/80/351566980.db2.gz NLNAYDKZKFMCCP-HTQZYQBOSA-N 1 0 202.273 0.930 10 0 BCAERO C[C@@H](C(N)=S)[N@@H+]1CCCOC[C@@H]1C ZINC000307185250 351581388 /nfs/dbraw/zinc/58/13/88/351581388.db2.gz RXQQFDHXEBHZMH-YUMQZZPRSA-N 1 0 202.323 0.772 10 0 BCAERO CC(=O)CC[N@H+]1C[C@H]2CCN(C)C[C@H]2C1 ZINC000307194060 351595277 /nfs/dbraw/zinc/59/52/77/351595277.db2.gz HXLNPIPHUIKLOJ-NEPJUHHUSA-N 1 0 210.321 0.849 10 0 BCAERO C[C@H]1CN(S(=O)(=O)CC(C)(C)C)C[C@@H]1C[NH3+] ZINC000631966584 363077238 /nfs/dbraw/zinc/07/72/38/363077238.db2.gz UKHQZCMWGMZQOH-UWVGGRQHSA-N 1 0 248.392 0.889 10 0 BCAERO [NH3+]C1(CC(=O)NC[C@H]2CCCC[C@@H]2O)CCC1 ZINC000094295599 487527612 /nfs/dbraw/zinc/52/76/12/487527612.db2.gz RLHQZVIOIOVYSF-MNOVXSKESA-N 1 0 240.347 0.925 10 0 BCAERO C[C@@H]1C[C@H](C(=O)N2CCC[C@H]([NH3+])C2)[C@H](C)O1 ZINC000637798695 351627225 /nfs/dbraw/zinc/62/72/25/351627225.db2.gz NCCXBFGPGACIHX-RCWTZXSCSA-N 1 0 226.320 0.750 10 0 BCAERO CCS(=O)(=O)N1C[C@@H]([NH3+])CC[C@@H]1C ZINC000307231982 351687632 /nfs/dbraw/zinc/68/76/32/351687632.db2.gz CBQLCUZCGKCLSV-YUMQZZPRSA-N 1 0 206.311 0.148 10 0 BCAERO COC1CC(C(=O)N[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000637850536 351708202 /nfs/dbraw/zinc/70/82/02/351708202.db2.gz KCHRSAJJAISCIW-AGVGLQIMSA-N 1 0 226.320 0.655 10 0 BCAERO CC(=O)N[C@@H](CC(C)C)C(=O)NCC[C@@H](C)[NH3+] ZINC000637825179 351665368 /nfs/dbraw/zinc/66/53/68/351665368.db2.gz UAORYJWHFHZYEF-KOLCDFICSA-N 1 0 243.351 0.391 10 0 BCAERO Cc1conc1C(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000637848715 351705778 /nfs/dbraw/zinc/70/57/78/351705778.db2.gz DJSMWMNPJYXAGV-RKDXNWHRSA-N 1 0 223.276 0.840 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H](N2CCCS2(=O)=O)C1 ZINC000232078481 351672591 /nfs/dbraw/zinc/67/25/91/351672591.db2.gz RCBJUTFHCNGOFR-DTWKUNHWSA-N 1 0 218.322 0.020 10 0 BCAERO C[C@H](CO)CN1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000252727557 538100984 /nfs/dbraw/zinc/10/09/84/538100984.db2.gz ISEGXLLSGBALLO-SDDRHHMPSA-N 1 0 212.337 0.783 10 0 BCAERO C[C@H]1CN(C(=O)CCC2C[NH2+]C2)C[C@H](C)O1 ZINC000637869865 351729894 /nfs/dbraw/zinc/72/98/94/351729894.db2.gz ZPDZKFZKLDSBRX-UWVGGRQHSA-N 1 0 226.320 0.622 10 0 BCAERO [NH3+]C[C@H]1CCC[C@H]1NC(=O)c1cccnn1 ZINC000637852542 351711265 /nfs/dbraw/zinc/71/12/65/351711265.db2.gz WOLLGTHYABFZSE-RKDXNWHRSA-N 1 0 220.276 0.334 10 0 BCAERO CC[NH2+][C@H](C)C(=O)N[C@H](C)[C@@H]1CCCO1 ZINC000637928243 351804605 /nfs/dbraw/zinc/80/46/05/351804605.db2.gz AAVDCJNTWPSMCV-BBBLOLIVSA-N 1 0 214.309 0.668 10 0 BCAERO CC[NH2+][C@H](C)C(=O)N[C@@H](C)[C@H]1CCCO1 ZINC000637928244 351804836 /nfs/dbraw/zinc/80/48/36/351804836.db2.gz AAVDCJNTWPSMCV-IVZWLZJFSA-N 1 0 214.309 0.668 10 0 BCAERO CC[NH2+][C@@H](C)C(=O)N1CCC[C@@H](NC(C)=O)C1 ZINC000637922538 351797555 /nfs/dbraw/zinc/79/75/55/351797555.db2.gz QVDINODPQXQKII-GXSJLCMTSA-N 1 0 241.335 0.112 10 0 BCAERO [NH3+][C@H]1CC=C(C(=O)NCC[C@H]2CCCO2)C1 ZINC000637901112 351770428 /nfs/dbraw/zinc/77/04/28/351770428.db2.gz ACCDNEMJAVERCR-WDEREUQCSA-N 1 0 224.304 0.719 10 0 BCAERO O=C1C[C@@H]([NH2+]CC2CC(F)(F)C2)CN1 ZINC000307252502 351771096 /nfs/dbraw/zinc/77/10/96/351771096.db2.gz SILGKJJMNUPDMA-SSDOTTSWSA-N 1 0 204.220 0.510 10 0 BCAERO C[C@H](C(N)=S)[N@@H+]1CCC[C@H](O)[C@@H]1C ZINC000307252113 351772950 /nfs/dbraw/zinc/77/29/50/351772950.db2.gz RLYDBASGDRRRGK-RNJXMRFFSA-N 1 0 202.323 0.506 10 0 BCAERO CC(C)(C)[S@@](=O)CC1(O)CC[NH2+]CC1 ZINC000307270966 351823820 /nfs/dbraw/zinc/82/38/20/351823820.db2.gz AUKZVDPKWYEAQZ-AWEZNQCLSA-N 1 0 219.350 0.648 10 0 BCAERO CCC(=O)N1CCC2(CC1)OCC[C@H]2[NH3+] ZINC000725269377 538101291 /nfs/dbraw/zinc/10/12/91/538101291.db2.gz JNNYSRGQWDQOGW-SECBINFHSA-N 1 0 212.293 0.505 10 0 BCAERO CC(C)CC[C@H]([NH3+])C(=O)N[C@H]1CCCNC1=O ZINC000637958850 351834421 /nfs/dbraw/zinc/83/44/21/351834421.db2.gz XFOKCDZGRMOCRQ-UWVGGRQHSA-N 1 0 241.335 0.145 10 0 BCAERO Cc1cnccc1CC[N@@H+]1C[C@H](O)C[C@@H]1CO ZINC000577844904 366081059 /nfs/dbraw/zinc/08/10/59/366081059.db2.gz GTJYGKRMIXKLQU-CHWSQXEVSA-N 1 0 236.315 0.360 10 0 BCAERO CC[NH2+][C@H](C)C(=O)N1CCS[C@@H](C)C1 ZINC000637978339 351853664 /nfs/dbraw/zinc/85/36/64/351853664.db2.gz HIEVHNYBDSTYII-DTWKUNHWSA-N 1 0 216.350 0.948 10 0 BCAERO CCN1CCO[C@H](C[NH2+][C@H]2CCO[C@@H](C)C2)C1 ZINC000252737036 538101477 /nfs/dbraw/zinc/10/14/77/538101477.db2.gz AUOZXNKDVKZMAQ-RWMBFGLXSA-N 1 0 242.363 0.864 10 0 BCAERO C[C@H](NC(=O)[C@@H]1OCC[C@@H]1[NH3+])C1CCCC1 ZINC000637992281 351869619 /nfs/dbraw/zinc/86/96/19/351869619.db2.gz XXPYIWSGTHKYPP-INTQDDNPSA-N 1 0 226.320 0.798 10 0 BCAERO [NH3+]Cc1ccccc1CN1CCC(=O)CC1=O ZINC000299889783 187528019 /nfs/dbraw/zinc/52/80/19/187528019.db2.gz OPYLEBYSZMOPKG-UHFFFAOYSA-N 1 0 232.283 0.837 10 0 BCAERO [NH3+][C@@H]1CC=C(C(=O)NC[C@H]2CCCC[C@H]2O)C1 ZINC000638012265 351890404 /nfs/dbraw/zinc/89/04/04/351890404.db2.gz VMKJJMGJKUUUJF-IJLUTSLNSA-N 1 0 238.331 0.701 10 0 BCAERO CN(Cc1ccnc(Cl)n1)C1C[NH2+]C1 ZINC000307296739 351906860 /nfs/dbraw/zinc/90/68/60/351906860.db2.gz OVSGPXCCBRIGKA-UHFFFAOYSA-N 1 0 212.684 0.534 10 0 BCAERO CO[C@H]1COCC[C@@]12[NH2+]CCCS2 ZINC000307295502 351907130 /nfs/dbraw/zinc/90/71/30/351907130.db2.gz HMPACCSKGXPAFK-IUCAKERBSA-N 1 0 203.307 0.845 10 0 BCAERO C[C@@H]1SCC[C@@H]1[NH2+][C@H]1COC[C@@H]1O ZINC000307297207 351908273 /nfs/dbraw/zinc/90/82/73/351908273.db2.gz PLUBRMJAZJIBMJ-JBDRJPRFSA-N 1 0 203.307 0.230 10 0 BCAERO CC[C@H](NC[C@@H]1C[NH2+]CC12CCC2)C(=O)OC ZINC000725269535 538101809 /nfs/dbraw/zinc/10/18/09/538101809.db2.gz VGRAEAKZTCXMNX-QWRGUYRKSA-N 1 0 240.347 0.917 10 0 BCAERO CNC(=S)NC[C@@H]1C[C@@H](C)[N@H+](C)C1 ZINC000307332662 352047922 /nfs/dbraw/zinc/04/79/22/352047922.db2.gz AGIUMXAIXVJATR-SFYZADRCSA-N 1 0 201.339 0.421 10 0 BCAERO COC1CC(C(=O)N[C@H]2CCC[NH2+][C@@H]2C)C1 ZINC000638205193 352067704 /nfs/dbraw/zinc/06/77/04/352067704.db2.gz HCMSKTPORVTNQD-SFXRXQKFSA-N 1 0 226.320 0.668 10 0 BCAERO C[C@@H]1OCC[C@H]1NC(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000638168813 352032255 /nfs/dbraw/zinc/03/22/55/352032255.db2.gz HUYOBXWJKAYKML-HOSYDEDBSA-N 1 0 242.319 0.036 10 0 BCAERO CO[C@@H]1C[NH2+][C@](C)(C(=O)N[C@H]2CCO[C@H]2C)C1 ZINC000638171839 352039095 /nfs/dbraw/zinc/03/90/95/352039095.db2.gz WKHVNNDUUWXLAN-GMOBBJLQSA-N 1 0 242.319 0.047 10 0 BCAERO CO[C@@H]1C[NH2+][C@](C)(C(=O)N[C@@H]2CCO[C@@H]2C)C1 ZINC000638171841 352039168 /nfs/dbraw/zinc/03/91/68/352039168.db2.gz WKHVNNDUUWXLAN-KLBPJQLPSA-N 1 0 242.319 0.047 10 0 BCAERO C[NH2+][C@H](C)CNC(=O)C1CC(OC)C1 ZINC000638221460 352080979 /nfs/dbraw/zinc/08/09/79/352080979.db2.gz WYDHQZYOKPFMNO-AFPNSQJFSA-N 1 0 200.282 0.136 10 0 BCAERO CC(=O)N[C@@H](C(=O)N1CC[C@@H]([NH3+])[C@@H]1C)C(C)C ZINC000638232305 352086927 /nfs/dbraw/zinc/08/69/27/352086927.db2.gz CHVZPCSZDBYKIK-JMJZKYOTSA-N 1 0 241.335 0.095 10 0 BCAERO CC(C)(C)[C@@H](O)CNC(=O)CCC1C[NH2+]C1 ZINC000638278841 352115654 /nfs/dbraw/zinc/11/56/54/352115654.db2.gz KXDKCJJZKBYCQT-JTQLQIEISA-N 1 0 228.336 0.509 10 0 BCAERO C[C@@H]1C[C@H](C(=O)N2C[C@H](C)[C@H]([NH3+])C2)[C@@H](C)O1 ZINC000638333060 352151675 /nfs/dbraw/zinc/15/16/75/352151675.db2.gz QYNNZGZDMIUMAV-UNQZSWDGSA-N 1 0 226.320 0.606 10 0 BCAERO CC1(C)[C@@H](C[NH3+])C12CCS(=O)(=O)CC2 ZINC000300905971 363116751 /nfs/dbraw/zinc/11/67/51/363116751.db2.gz CRAUVOLWBGZZBN-MRVPVSSYSA-N 1 0 217.334 0.796 10 0 BCAERO O=C(CC1CC1)N[C@@H]1CCOC12CC[NH2+]CC2 ZINC000725269881 538102127 /nfs/dbraw/zinc/10/21/27/538102127.db2.gz RAUVCCLSFDJTBX-LLVKDONJSA-N 1 0 238.331 0.814 10 0 BCAERO C[C@@H]1CC[N@H+](C[C@](C)(N)C(N)=O)[C@@H](C)C1 ZINC000252116724 363123867 /nfs/dbraw/zinc/12/38/67/363123867.db2.gz IRIPNHCVHGZTNM-YWVKMMECSA-N 1 0 213.325 0.310 10 0 BCAERO COC(=O)[C@@H](C)NC(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000218935613 363132331 /nfs/dbraw/zinc/13/23/31/363132331.db2.gz IVJSWCJKLLDLQK-HRDYMLBCSA-N 1 0 228.292 0.182 10 0 BCAERO C[C@@H](C(N)=O)[N@@H+]1CCSCC[C@@H]1C ZINC000307352132 352258831 /nfs/dbraw/zinc/25/88/31/352258831.db2.gz BRQZEAAPPVQFDB-YUMQZZPRSA-N 1 0 202.323 0.688 10 0 BCAERO COCCC1CCN(C(=O)[C@@H]([NH3+])COC)CC1 ZINC000638466984 352276676 /nfs/dbraw/zinc/27/66/76/352276676.db2.gz KZPAEFVGQQZUCZ-NSHDSACASA-N 1 0 244.335 0.235 10 0 BCAERO CC(C)CN(C)[C@@H]1C[NH2+]CC[C@@]1(C)O ZINC000300931466 363169379 /nfs/dbraw/zinc/16/93/79/363169379.db2.gz WECIHWIHERDINM-GHMZBOCLSA-N 1 0 200.326 0.687 10 0 BCAERO C[C@H](CO)[NH2+][C@H]1CCC[C@@]23C[C@@H](CO2)[C@H]13 ZINC000725270708 538102486 /nfs/dbraw/zinc/10/24/86/538102486.db2.gz CXZRGBKULWAHSA-IIRVCBMXSA-N 1 0 211.305 0.914 10 0 BCAERO CCN(Cc1ccoc1)C(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000638445473 352254035 /nfs/dbraw/zinc/25/40/35/352254035.db2.gz OQKZZRPLZBYSIL-GHMZBOCLSA-N 1 0 238.287 0.351 10 0 BCAERO C[C@H](CO)[NH2+][C@H]1CCC[C@@]23C[C@@H](CO2)[C@@H]13 ZINC000725270706 538102644 /nfs/dbraw/zinc/10/26/44/538102644.db2.gz CXZRGBKULWAHSA-DGORSVRFSA-N 1 0 211.305 0.914 10 0 BCAERO C[C@@H]1CCC[N@H+]([C@@H](C[NH3+])C(=O)[O-])[C@H]1C ZINC000252155411 363181213 /nfs/dbraw/zinc/18/12/13/363181213.db2.gz NESBXFFQEVGETH-VGMNWLOBSA-N 1 0 200.282 0.519 10 0 BCAERO CC(C)NC(=O)N[C@@H]1CCOC12CC[NH2+]CC2 ZINC000725270278 538102745 /nfs/dbraw/zinc/10/27/45/538102745.db2.gz ZGZBLDDNAWCIGP-SNVBAGLBSA-N 1 0 241.335 0.605 10 0 BCAERO CCCS(=O)(=O)Nc1cccc(C[NH3+])n1 ZINC000725270902 538102806 /nfs/dbraw/zinc/10/28/06/538102806.db2.gz UYCVLJGMXGOMQD-UHFFFAOYSA-N 1 0 229.305 0.692 10 0 BCAERO C[N@H+](CCO)[C@@H]1CCC[C@@]23C[C@@H](CO2)[C@@H]13 ZINC000725270918 538102828 /nfs/dbraw/zinc/10/28/28/538102828.db2.gz GTMLMEIHDPIUSM-USZNOCQGSA-N 1 0 211.305 0.868 10 0 BCAERO COCCNC(=O)NC[C@@H]1CC[NH2+]C[C@@H]1C ZINC000725271414 538103021 /nfs/dbraw/zinc/10/30/21/538103021.db2.gz MLKZOCLITVPXRH-UWVGGRQHSA-N 1 0 229.324 0.178 10 0 BCAERO CC(C)CC(=O)N1CCC[NH2+]CCOCC1 ZINC000725271613 538103385 /nfs/dbraw/zinc/10/33/85/538103385.db2.gz QURHTHODIANCTO-UHFFFAOYSA-N 1 0 228.336 0.871 10 0 BCAERO C[NH2+]CCC1=NCCN1C(=O)C1CCC1 ZINC000725271653 538103405 /nfs/dbraw/zinc/10/34/05/538103405.db2.gz ABYVRIVTMXCFMJ-UHFFFAOYSA-N 1 0 209.293 0.637 10 0 BCAERO Cc1ncccc1CNC(=O)[C@@H]1C[NH2+]CCOC1 ZINC000638600353 352432892 /nfs/dbraw/zinc/43/28/92/352432892.db2.gz WLCWBIFXMVXILY-GFCCVEGCSA-N 1 0 249.314 0.242 10 0 BCAERO Cc1ncccc1CNC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000638602853 352438777 /nfs/dbraw/zinc/43/87/77/352438777.db2.gz WVHNPKPUCBHELE-BXKDBHETSA-N 1 0 233.315 0.862 10 0 BCAERO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NC(=O)[C@H]1CC[NH2+]C1 ZINC000638630159 352469413 /nfs/dbraw/zinc/46/94/13/352469413.db2.gz QQXYNBAFRQCWFR-NZHYYXIDSA-N 1 0 226.320 0.524 10 0 BCAERO CC1(NC(=O)[C@@H]2CCCS2)C[NH2+]C1 ZINC000307381382 352489185 /nfs/dbraw/zinc/48/91/85/352489185.db2.gz ZFHSNUXLWXORPY-ZETCQYMHSA-N 1 0 200.307 0.360 10 0 BCAERO C[C@@H](O)[C@](C)(C[NH3+])c1ncc(Cl)cn1 ZINC000307386955 352547212 /nfs/dbraw/zinc/54/72/12/352547212.db2.gz CBMFTPVBLBSJOV-MUWHJKNJSA-N 1 0 215.684 0.727 10 0 BCAERO CC(C)(C)NC(=O)N1CC(F)(C[NH3+])C1 ZINC000725272642 538104339 /nfs/dbraw/zinc/10/43/39/538104339.db2.gz IQMVJKOKMZSMKS-UHFFFAOYSA-N 1 0 203.261 0.477 10 0 BCAERO COC[C@H]1C[NH2+]CCN1C(=O)C(C)C ZINC000725272469 538104046 /nfs/dbraw/zinc/10/40/46/538104046.db2.gz GISIJTGYKDYEBP-SECBINFHSA-N 1 0 200.282 0.089 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCO[C@@H](CCF)C1 ZINC000638684276 352522251 /nfs/dbraw/zinc/52/22/51/352522251.db2.gz RCCMVEILBHLSMQ-OUAUKWLOSA-N 1 0 244.310 0.429 10 0 BCAERO O=C(N[C@@H]1CO[C@@H](C2CC2)C1)[C@@H]1CC[NH2+]C1 ZINC000638695481 352532870 /nfs/dbraw/zinc/53/28/70/352532870.db2.gz OIVJCDXSNGJLBH-OUAUKWLOSA-N 1 0 224.304 0.280 10 0 BCAERO COC[C@H]1C[NH2+]CCN1C(=O)CC(C)C ZINC000725272727 538104361 /nfs/dbraw/zinc/10/43/61/538104361.db2.gz KOTTWWRJARXREC-SNVBAGLBSA-N 1 0 214.309 0.479 10 0 BCAERO C[NH2+]C[C@H](C)N1C(=O)c2ccccc2C1=O ZINC000307461080 352611077 /nfs/dbraw/zinc/61/10/77/352611077.db2.gz FRRYZQUPHLEPGC-QMMMGPOBSA-N 1 0 218.256 0.891 10 0 BCAERO C[C@H](NC1=N[C@@H](C)[C@H](C)S1)C(N)=O ZINC000307392659 352569135 /nfs/dbraw/zinc/56/91/35/352569135.db2.gz ZIPHCMUCCDWWPA-ZLUOBGJFSA-N 1 0 201.295 0.330 10 0 BCAERO CC[S@](=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000307400199 352572678 /nfs/dbraw/zinc/57/26/78/352572678.db2.gz ZKYMPGHWYOBYSG-YDEXJTGXSA-N 1 0 202.323 0.339 10 0 BCAERO CC[C@@H]1C[C@H]1NC(=O)[C@]1(COC)CCC[NH2+]1 ZINC000638723314 352576880 /nfs/dbraw/zinc/57/68/80/352576880.db2.gz HLROSNJUCWPRLU-CKYFFXLPSA-N 1 0 226.320 0.670 10 0 BCAERO [NH3+][C@@H]1C[C@H]1NC(=O)[C@@H]1CSCCS1 ZINC000307402792 352577652 /nfs/dbraw/zinc/57/76/52/352577652.db2.gz CBCDDJPVZQZREJ-QYNIQEEDSA-N 1 0 218.347 0.051 10 0 BCAERO O=C(CC[C@H]1CCC[NH2+]1)NCc1ccc[nH]c1=O ZINC000638725914 352579876 /nfs/dbraw/zinc/57/98/76/352579876.db2.gz MCBFDBFDGSXOJW-LLVKDONJSA-N 1 0 249.314 0.936 10 0 BCAERO Cc1nccc(C[C@@H]2C[NH2+]CCOC2)n1 ZINC000072344489 187789115 /nfs/dbraw/zinc/78/91/15/187789115.db2.gz GAEFQUVZDQOPCB-SNVBAGLBSA-N 1 0 207.277 0.564 10 0 BCAERO COC1CN([C@]2(C[NH3+])CS[C@H](C)C2)C1 ZINC000307533023 352639191 /nfs/dbraw/zinc/63/91/91/352639191.db2.gz HKUBGJIGODLMTE-PSASIEDQSA-N 1 0 216.350 0.540 10 0 BCAERO Cc1nn(C)cc1C(=O)C1=CC[C@@H]([NH3+])C1 ZINC000307540209 352644330 /nfs/dbraw/zinc/64/43/30/352644330.db2.gz VRYWTGIPYFNGGW-RKDXNWHRSA-N 1 0 205.261 0.815 10 0 BCAERO Cc1nn(C)cc1C(=O)C1=CC[C@@H]([NH3+])C1 ZINC000307540205 352644378 /nfs/dbraw/zinc/64/43/78/352644378.db2.gz VRYWTGIPYFNGGW-DTWKUNHWSA-N 1 0 205.261 0.815 10 0 BCAERO O=S1(=O)CC([NH2+][C@@H]2CC=CCC2)C1 ZINC000307543436 352645322 /nfs/dbraw/zinc/64/53/22/352645322.db2.gz UUZQWKPGXWNYHW-MRVPVSSYSA-N 1 0 201.291 0.482 10 0 BCAERO CNC(=O)[C@]1([NH+](C)C)CCCSC1 ZINC000307542046 352645790 /nfs/dbraw/zinc/64/57/90/352645790.db2.gz SYMYSUIGFSZVKY-VIFPVBQESA-N 1 0 202.323 0.560 10 0 BCAERO C[C@@H]1CC[C@@H]1[NH2+][C@@H]1C=CS(=O)(=O)C1 ZINC000307545306 352646604 /nfs/dbraw/zinc/64/66/04/352646604.db2.gz JMLYCIVCEKIMKG-HLTSFMKQSA-N 1 0 201.291 0.685 10 0 BCAERO Cn1cc(C(=O)CC2([NH3+])CCCC2)nn1 ZINC000307545111 352646673 /nfs/dbraw/zinc/64/66/73/352646673.db2.gz WYGZHDHDUKWCBP-UHFFFAOYSA-N 1 0 208.265 0.659 10 0 BCAERO NC(=O)CCNc1c(N)c[nH+]cc1Cl ZINC000307563066 352651964 /nfs/dbraw/zinc/65/19/64/352651964.db2.gz OXJNXPNSRZMKNR-UHFFFAOYSA-N 1 0 214.656 0.605 10 0 BCAERO C[S@](=O)N1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000307569081 352657388 /nfs/dbraw/zinc/65/73/88/352657388.db2.gz WWAUBEGLTGBJRF-KKFJDGPESA-N 1 0 202.323 0.496 10 0 BCAERO C[C@@H]1[N@H+](Cc2ccccc2)CC[C@@]1(N)C(N)=O ZINC000307575832 352658981 /nfs/dbraw/zinc/65/89/81/352658981.db2.gz JMNDXBPGFVFBFK-GWCFXTLKSA-N 1 0 233.315 0.464 10 0 BCAERO C[C@@H]1C[NH+]=C(S[C@@H]2CCC[C@@H]2O)N1 ZINC000307588012 352661914 /nfs/dbraw/zinc/66/19/14/352661914.db2.gz VVOOROSKSYJNKU-GJMOJQLCSA-N 1 0 200.307 0.981 10 0 BCAERO CC[S@](=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000307592513 352662885 /nfs/dbraw/zinc/66/28/85/352662885.db2.gz HXIXLGNVDFFODN-ZDMBXUJBSA-N 1 0 202.323 0.211 10 0 BCAERO CC(C)[S@@](=O)N1[C@H](C)C[NH2+]C[C@H]1C ZINC000307595639 352665306 /nfs/dbraw/zinc/66/53/06/352665306.db2.gz LNRGCSLJQBVRHG-JRKPZEMJSA-N 1 0 204.339 0.741 10 0 BCAERO O=C(N[C@@H]1CCCSC1)[C@@H]1CC[NH2+]1 ZINC000307602687 352667652 /nfs/dbraw/zinc/66/76/52/352667652.db2.gz XFWFJGUUGXRRTL-SFYZADRCSA-N 1 0 200.307 0.360 10 0 BCAERO C[NH+](C)C[C@H]1COC[C@H]1N1CCC(O)CC1 ZINC000725273895 538104862 /nfs/dbraw/zinc/10/48/62/538104862.db2.gz RAWZMNYEDQSYST-CMPLNLGQSA-N 1 0 228.336 0.020 10 0 BCAERO COc1ccc(Cn2nnnc2C[NH3+])cc1OC ZINC000054746196 187782455 /nfs/dbraw/zinc/78/24/55/187782455.db2.gz PGOYUOFQLMXCOI-UHFFFAOYSA-N 1 0 249.274 0.197 10 0 BCAERO CC[S@](=O)N1[C@H](C)C[C@@H]2C[NH2+]C[C@H]21 ZINC000307495738 352625321 /nfs/dbraw/zinc/62/53/21/352625321.db2.gz IFAUDLWUGKQSES-LHGDZMGGSA-N 1 0 202.323 0.352 10 0 BCAERO CC[S@](=O)N1[C@H](C)C[C@H]2C[NH2+]C[C@H]21 ZINC000307495743 352625355 /nfs/dbraw/zinc/62/53/55/352625355.db2.gz IFAUDLWUGKQSES-VXFNFUGZSA-N 1 0 202.323 0.352 10 0 BCAERO NC(=S)C[N@@H+]1CCC[C@@]12CCOC2 ZINC000307519895 352633766 /nfs/dbraw/zinc/63/37/66/352633766.db2.gz OSKBNGQHCMBWHH-VIFPVBQESA-N 1 0 200.307 0.527 10 0 BCAERO CSc1nccc(O[C@H]2CC[NH2+]C2)n1 ZINC000095071869 187800036 /nfs/dbraw/zinc/80/00/36/187800036.db2.gz OJXRRUJSHUWKRW-ZETCQYMHSA-N 1 0 211.290 0.939 10 0 BCAERO CSc1nccc(N(C)[C@H]2CC[NH2+]C2)n1 ZINC000095071831 187800154 /nfs/dbraw/zinc/80/01/54/187800154.db2.gz FWZRWTBDRRRBQX-QMMMGPOBSA-N 1 0 224.333 0.997 10 0 BCAERO O=C([C@@H]1COCCN1)N1CCCC2(CC2)CC1 ZINC000638756145 352690057 /nfs/dbraw/zinc/69/00/57/352690057.db2.gz IZNNUUOSFPFIDN-NSHDSACASA-N 1 0 238.331 0.768 10 0 BCAERO COC[C@@H]([NH3+])C(=O)Nc1cc(C)cc(O)c1 ZINC000638756308 352690332 /nfs/dbraw/zinc/69/03/32/352690332.db2.gz GUHXWIFQWVRCFC-SNVBAGLBSA-N 1 0 224.260 0.613 10 0 BCAERO CC1(C)C(=O)NCCN1C(=[NH2+])NC1CCCC1 ZINC000104130676 187804814 /nfs/dbraw/zinc/80/48/14/187804814.db2.gz JQBAWCKJHMUTAG-UHFFFAOYSA-N 1 0 238.335 0.664 10 0 BCAERO C[NH2+]Cc1ccc(-n2ccc(C)n2)nn1 ZINC000052885170 187812635 /nfs/dbraw/zinc/81/26/35/187812635.db2.gz YMOPRRKNMNZAIT-UHFFFAOYSA-N 1 0 203.249 0.690 10 0 BCAERO C[C@@H]1C[C@@H]([NH2+]C[C@H]2CN(C)CCO2)CS1 ZINC000252177961 363194099 /nfs/dbraw/zinc/19/40/99/363194099.db2.gz SJSAOLHLKJGEAP-MXWKQRLJSA-N 1 0 230.377 0.801 10 0 BCAERO C[C@@H](C[NH3+])CN1CCC2(C1)OCCO2 ZINC000307645091 352738113 /nfs/dbraw/zinc/73/81/13/352738113.db2.gz WVUIBEAOCUJPLJ-VIFPVBQESA-N 1 0 200.282 0.030 10 0 BCAERO C[C@H](N)C[N@H+](C)C1CCC2(CC1)OCCO2 ZINC000307651431 352741474 /nfs/dbraw/zinc/74/14/74/352741474.db2.gz RPQOMZGAYVONRA-JTQLQIEISA-N 1 0 228.336 0.951 10 0 BCAERO C[C@@H](N)C[N@H+](C)C1CCC2(CC1)OCCO2 ZINC000307651433 352741640 /nfs/dbraw/zinc/74/16/40/352741640.db2.gz RPQOMZGAYVONRA-SNVBAGLBSA-N 1 0 228.336 0.951 10 0 BCAERO O=C(NC(C1CC1)C1CC1)[C@H]1CC[NH2+]C1 ZINC000062115957 187833603 /nfs/dbraw/zinc/83/36/03/187833603.db2.gz JGBYPXIXOMFODM-JTQLQIEISA-N 1 0 208.305 0.901 10 0 BCAERO COCCC(=O)N1CCCC[C@@H](C[NH3+])C1 ZINC000308862794 538105503 /nfs/dbraw/zinc/10/55/03/538105503.db2.gz PTMIKPZATJOHCA-JTQLQIEISA-N 1 0 214.309 0.610 10 0 BCAERO Cn1cnnc1CNc1cc(N)cc[nH+]1 ZINC000050416940 180794660 /nfs/dbraw/zinc/79/46/60/180794660.db2.gz XTOXAOYWZSCMFF-UHFFFAOYSA-N 1 0 204.237 0.404 10 0 BCAERO COCc1cc(C(=O)N2CCC[C@@H]2C[NH3+])no1 ZINC000122314549 187866701 /nfs/dbraw/zinc/86/67/01/187866701.db2.gz GDHOZJZKWSCDCQ-MRVPVSSYSA-N 1 0 239.275 0.384 10 0 BCAERO CCN1CCO[C@H](C[NH3+])[C@H]1c1ccnn1C ZINC000253278028 538105459 /nfs/dbraw/zinc/10/54/59/538105459.db2.gz JLOMQUHWLWSDDO-GHMZBOCLSA-N 1 0 224.308 0.141 10 0 BCAERO CO[C@H]1C[C@@H](CNC(=O)[C@H]2CCC[NH2+][C@@H]2C)C1 ZINC000638804080 352978460 /nfs/dbraw/zinc/97/84/60/352978460.db2.gz AZUCTXGTERXFHU-WYUUTHIRSA-N 1 0 240.347 0.916 10 0 BCAERO CO[C@H]1C[C@@H](CNC(=O)[C@H]2CCC[NH2+][C@H]2C)C1 ZINC000638804081 352978511 /nfs/dbraw/zinc/97/85/11/352978511.db2.gz AZUCTXGTERXFHU-YFKTTZPYSA-N 1 0 240.347 0.916 10 0 BCAERO CO[C@H]1C[C@@H](CNC(=O)[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC000638807311 352980925 /nfs/dbraw/zinc/98/09/25/352980925.db2.gz JMSKDFGRUIAMAF-UKKRHICBSA-N 1 0 226.320 0.655 10 0 BCAERO C[C@H]1[NH2+]CC[C@@H]1C(=O)N=S(C)(C)=O ZINC000306149318 352984295 /nfs/dbraw/zinc/98/42/95/352984295.db2.gz DRYCCMRRTLNWMR-RQJHMYQMSA-N 1 0 204.295 0.239 10 0 BCAERO CC[C@@](C)(NC(=O)[C@@H]1C[NH2+]CCOC1)C1CC1 ZINC000638858560 353035016 /nfs/dbraw/zinc/03/50/16/353035016.db2.gz SPBACTAZSBTGNN-ZWNOBZJWSA-N 1 0 240.347 0.917 10 0 BCAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)c1cnns1 ZINC000307701866 353002894 /nfs/dbraw/zinc/00/28/94/353002894.db2.gz SPKHRNIMVBMRSF-RITPCOANSA-N 1 0 212.278 0.100 10 0 BCAERO CCCOCC(=O)N1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000638889455 353058248 /nfs/dbraw/zinc/05/82/48/353058248.db2.gz ATHIIFASYWQVDP-ZJUUUORDSA-N 1 0 214.309 0.466 10 0 BCAERO C[C@H]1CN(C(=O)c2cncc(F)c2)C[C@H]1C[NH3+] ZINC000638891937 353059486 /nfs/dbraw/zinc/05/94/86/353059486.db2.gz IAYRBYZUGPGDDY-WCBMZHEXSA-N 1 0 237.278 0.888 10 0 BCAERO Cc1conc1C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000638901398 353063069 /nfs/dbraw/zinc/06/30/69/353063069.db2.gz JJHAIRDFKTULLP-VXNVDRBHSA-N 1 0 223.276 0.650 10 0 BCAERO C[C@@H]1CN(C(=O)[C@H]2CC23CC3)C[C@@H]1C[NH3+] ZINC000638902450 353063863 /nfs/dbraw/zinc/06/38/63/353063863.db2.gz MIIYGSGGHSWNKA-KXUCPTDWSA-N 1 0 208.305 0.840 10 0 BCAERO Cc1nnsc1C(=O)N1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000638904191 353065011 /nfs/dbraw/zinc/06/50/11/353065011.db2.gz PNADCYKRUUKQFN-XPUUQOCRSA-N 1 0 240.332 0.513 10 0 BCAERO C[C@@H]1CN(C(=O)CC[C@H]2CCOC2)C[C@@H]1C[NH3+] ZINC000638908482 353070801 /nfs/dbraw/zinc/07/08/01/353070801.db2.gz AAMHZAULRCFLHA-WOPDTQHZSA-N 1 0 240.347 0.856 10 0 BCAERO [NH3+]Cc1csc(S(=O)(=O)N2CCC2)c1 ZINC000306799594 353038970 /nfs/dbraw/zinc/03/89/70/353038970.db2.gz MZKQZTNVHORAAM-UHFFFAOYSA-N 1 0 232.330 0.601 10 0 BCAERO C[C@@H]1CN(C(=O)CC[C@H]2CCCO2)C[C@H]1C[NH3+] ZINC000638887045 353053923 /nfs/dbraw/zinc/05/39/23/353053923.db2.gz CEMHWKAEKBXTSE-IJLUTSLNSA-N 1 0 240.347 0.999 10 0 BCAERO C[C@@H]1CN(C(=O)[C@H]2CCCOC2)C[C@H]1C[NH3+] ZINC000638887019 353054100 /nfs/dbraw/zinc/05/41/00/353054100.db2.gz BZIKLVQVGJVUIX-OUAUKWLOSA-N 1 0 226.320 0.466 10 0 BCAERO C[C@@H]1CN(C(=O)[C@@H]2CCOC2)C[C@H]1C[NH3+] ZINC000638887118 353054169 /nfs/dbraw/zinc/05/41/69/353054169.db2.gz TVBAHIFCXWIRSC-OPRDCNLKSA-N 1 0 212.293 0.076 10 0 BCAERO C[C@H]1CN(C(=O)c2ncccc2O)C[C@@H]1C[NH3+] ZINC000638893010 353054528 /nfs/dbraw/zinc/05/45/28/353054528.db2.gz LETCHFZEFBZXPT-IUCAKERBSA-N 1 0 235.287 0.454 10 0 BCAERO C[C@H]1CN(C(=O)CCn2cccn2)C[C@@H]1C[NH3+] ZINC000638894394 353055252 /nfs/dbraw/zinc/05/52/52/353055252.db2.gz OGXOLVIIZKOJCK-QWRGUYRKSA-N 1 0 236.319 0.326 10 0 BCAERO C[C@H]1CN(C(=O)[C@@H]2CCCO2)C[C@H]1C[NH3+] ZINC000638895980 353056594 /nfs/dbraw/zinc/05/65/94/353056594.db2.gz VOVWJQVUDPWJJU-AEJSXWLSSA-N 1 0 212.293 0.219 10 0 BCAERO C[C@H]1CN(C(=O)CCn2ccnc2)C[C@@H]1C[NH3+] ZINC000638896463 353057076 /nfs/dbraw/zinc/05/70/76/353057076.db2.gz ZGGUTGKCKKMKAZ-QWRGUYRKSA-N 1 0 236.319 0.326 10 0 BCAERO CC(C)OCC(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000638897103 353057205 /nfs/dbraw/zinc/05/72/05/353057205.db2.gz ZAELVUIDEFCUPL-NXEZZACHSA-N 1 0 214.309 0.465 10 0 BCAERO C[C@@H]1C[NH2+]C[C@@]12CCS(=O)(=O)[C@H]2C ZINC000307720186 353109570 /nfs/dbraw/zinc/10/95/70/353109570.db2.gz TUHMUEPTCSMQRE-VGMNWLOBSA-N 1 0 203.307 0.419 10 0 BCAERO CN1CCN(C(=[NH2+])NCc2ccccc2)CC1=O ZINC000307705727 353091149 /nfs/dbraw/zinc/09/11/49/353091149.db2.gz WGMGTMZTOYFBAJ-UHFFFAOYSA-N 1 0 246.314 0.485 10 0 BCAERO CC(C)(C)OC(=O)NC(C)(C)C[C@@H](O)C[NH3+] ZINC000307707639 353095589 /nfs/dbraw/zinc/09/55/89/353095589.db2.gz HSDFCOVFRCXPTO-MRVPVSSYSA-N 1 0 232.324 0.999 10 0 BCAERO Cn1ncc(C[C@]2(C[NH3+])CCCS2)n1 ZINC000307705641 353097645 /nfs/dbraw/zinc/09/76/45/353097645.db2.gz VWFAXAOVSCPRNZ-VIFPVBQESA-N 1 0 212.322 0.582 10 0 BCAERO CCCCCN1C[C@@H](CC[NH3+])OCC1=O ZINC000077306594 168700877 /nfs/dbraw/zinc/70/08/77/168700877.db2.gz PRWHLFSTALKPEB-SNVBAGLBSA-N 1 0 214.309 0.753 10 0 BCAERO C[C@@H]1C[C@@H](NC(=O)[C@H]2CC[NH2+]C2)[C@H](C)O1 ZINC000638944054 353144609 /nfs/dbraw/zinc/14/46/09/353144609.db2.gz NXXBRRKNAURMDU-XFWSIPNHSA-N 1 0 212.293 0.278 10 0 BCAERO C[C@@H]1C[C@@H](NC(=O)[C@@H]2CC[NH2+]C2)[C@@H](C)O1 ZINC000638944055 353144615 /nfs/dbraw/zinc/14/46/15/353144615.db2.gz NXXBRRKNAURMDU-ZYUZMQFOSA-N 1 0 212.293 0.278 10 0 BCAERO CC(C)[C@H](C[NH3+])C(=O)N1CCCC[C@@H]1C(N)=O ZINC000044807059 188085327 /nfs/dbraw/zinc/08/53/27/188085327.db2.gz HCQGZZYFGBSJQH-VHSXEESVSA-N 1 0 241.335 0.084 10 0 BCAERO C=CN1C(=[NH2+])S[C@H]2CS(=O)(=O)C[C@@H]21 ZINC000004226902 188101850 /nfs/dbraw/zinc/10/18/50/188101850.db2.gz RCLIZULLOCCJRH-WDSKDSINSA-N 1 0 218.303 0.279 10 0 BCAERO CC(C)CNS(=O)(=O)c1cc[nH+]c(NN)c1 ZINC000038008891 188109066 /nfs/dbraw/zinc/10/90/66/188109066.db2.gz VCFFSSISODMFQB-UHFFFAOYSA-N 1 0 244.320 0.302 10 0 BCAERO O=C(NC[C@@H]1C[NH2+]CCO1)c1ccc(O)cc1 ZINC000036285244 188112105 /nfs/dbraw/zinc/11/21/05/188112105.db2.gz YESWMFTWYLBWFD-NSHDSACASA-N 1 0 236.271 0.110 10 0 BCAERO CC(C)[NH+]1CCC(NCc2nc[nH]n2)CC1 ZINC000037919126 188115299 /nfs/dbraw/zinc/11/52/99/188115299.db2.gz GXTAZPVGRWJLOM-UHFFFAOYSA-N 1 0 223.324 0.767 10 0 BCAERO CC(C)(C)[C@@H]([NH3+])C(=O)Nc1ncccn1 ZINC000077488097 188116671 /nfs/dbraw/zinc/11/66/71/188116671.db2.gz MRSHMDFWHVWGBL-ZETCQYMHSA-N 1 0 208.265 0.789 10 0 BCAERO C1CC2(C1)C[C@@H]([NH+]1CCNCC1)CCO2 ZINC000082374114 188119193 /nfs/dbraw/zinc/11/91/93/188119193.db2.gz LUCXFAATGKMRKU-NSHDSACASA-N 1 0 210.321 0.993 10 0 BCAERO CC(C)N(CCCO)C(=O)[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000042526363 188120346 /nfs/dbraw/zinc/12/03/46/188120346.db2.gz BCWCARMTSOYQTP-NEPJUHHUSA-N 1 0 242.363 0.994 10 0 BCAERO C[N@@H+]1CC[C@H](NC(=O)c2ccc(N)cc2)C1 ZINC000042543538 188121101 /nfs/dbraw/zinc/12/11/01/188121101.db2.gz RODPXWKIALZCQI-NSHDSACASA-N 1 0 219.288 0.703 10 0 BCAERO CC(=O)N1CCC([NH2+][C@@H]2CCCNC2)CC1 ZINC000043326905 188121327 /nfs/dbraw/zinc/12/13/27/188121327.db2.gz BKIHEPJELYMOQF-GFCCVEGCSA-N 1 0 225.336 0.339 10 0 BCAERO Cc1nn(C)c(C)c1-c1n[nH]cc1C[NH3+] ZINC000082643333 188121619 /nfs/dbraw/zinc/12/16/19/188121619.db2.gz SSHBOKQCFYKNMM-UHFFFAOYSA-N 1 0 205.265 0.886 10 0 BCAERO CN(Cc1ccco1)C(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000094565221 188145512 /nfs/dbraw/zinc/14/55/12/188145512.db2.gz IEDLBZYOCTZUNZ-KOLCDFICSA-N 1 0 238.287 0.744 10 0 BCAERO CC(C)N(C)C(=O)C[NH2+][C@@H]1CCN2CCC[C@H]12 ZINC000049568371 188124284 /nfs/dbraw/zinc/12/42/84/188124284.db2.gz SIYNGUXTAPWGGT-VXGBXAGGSA-N 1 0 239.363 0.680 10 0 BCAERO CC(C)([NH3+])C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000052009289 188126463 /nfs/dbraw/zinc/12/64/63/188126463.db2.gz NSKNDJXNWIWCHF-SFYZADRCSA-N 1 0 200.282 0.143 10 0 BCAERO CC(C)N(CCO)C(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000055087395 188126858 /nfs/dbraw/zinc/12/68/58/188126858.db2.gz WMPZSTMJXUWAAW-GHMZBOCLSA-N 1 0 228.336 0.733 10 0 BCAERO CC1(C)C[C@H]1NC(=O)CN1CCC[NH2+]CC1 ZINC000061274475 188128164 /nfs/dbraw/zinc/12/81/64/188128164.db2.gz MZLBSDRSBJSFNC-SNVBAGLBSA-N 1 0 225.336 0.196 10 0 BCAERO CCN1CCO[C@H](C[NH2+]Cc2cncs2)C1 ZINC000157461488 538111237 /nfs/dbraw/zinc/11/12/37/538111237.db2.gz XZBJHSQJTTZZKN-SNVBAGLBSA-N 1 0 241.360 0.953 10 0 BCAERO Cn1ccnc1CCNc1cnccn1 ZINC000040639668 188137361 /nfs/dbraw/zinc/13/73/61/188137361.db2.gz RXOPGXDLNDKNRK-UHFFFAOYSA-N 1 0 203.249 0.865 10 0 BCAERO CC(C)C[C@H]([NH3+])C(=O)NCCc1c[nH]cn1 ZINC000082175695 188137669 /nfs/dbraw/zinc/13/76/69/188137669.db2.gz LXRYPLDFVSOFSV-JTQLQIEISA-N 1 0 224.308 0.442 10 0 BCAERO CC(C)c1cncn1CCN1CC[NH2+]CC1 ZINC000082656415 188138985 /nfs/dbraw/zinc/13/89/85/188138985.db2.gz ZKDARTNUYUTXDD-UHFFFAOYSA-N 1 0 222.336 0.912 10 0 BCAERO CSC[C@@H](C)NC(=O)[C@H]1CCC[NH2+]C1 ZINC000127627072 188143105 /nfs/dbraw/zinc/14/31/05/188143105.db2.gz LFZYQXWRKCPTRI-BDAKNGLRSA-N 1 0 216.350 0.854 10 0 BCAERO CCC[N@H+](C[C@@H](N)C(=O)OCC)C1CC1 ZINC000045387233 188152242 /nfs/dbraw/zinc/15/22/42/188152242.db2.gz SXLMFMFHKFTMHM-SNVBAGLBSA-N 1 0 214.309 0.751 10 0 BCAERO CC(C)N(C)S(=O)(=O)CC1CC[NH2+]CC1 ZINC000049632183 188153858 /nfs/dbraw/zinc/15/38/58/188153858.db2.gz YCXFWFWRVKMTPL-UHFFFAOYSA-N 1 0 234.365 0.656 10 0 BCAERO Cc1ccc([C@@H](O)CNC(=O)CCC[NH3+])cc1 ZINC000237619178 188154125 /nfs/dbraw/zinc/15/41/25/188154125.db2.gz WGWRLZAAILGVPW-LBPRGKRZSA-N 1 0 236.315 0.884 10 0 BCAERO [NH3+]Cc1ccccc1N1C(=O)CCC1=O ZINC000019256877 188172457 /nfs/dbraw/zinc/17/24/57/188172457.db2.gz NJQMYAFLSDNNJJ-UHFFFAOYSA-N 1 0 204.229 0.799 10 0 BCAERO CC(C)=CC[NH2+]CCC(=O)N1CCOCC1 ZINC000192290686 188174341 /nfs/dbraw/zinc/17/43/41/188174341.db2.gz MWMXDXZYEZLXOI-UHFFFAOYSA-N 1 0 226.320 0.791 10 0 BCAERO CC(=O)Nc1c[nH]nc1[C@@H]1CCC[NH2+]C1 ZINC000095829464 188146232 /nfs/dbraw/zinc/14/62/32/188146232.db2.gz ITZKOXSWMWGCGW-MRVPVSSYSA-N 1 0 208.265 0.835 10 0 BCAERO CC(C)(C)OC(=O)[C@@H](N)CC(C)(C)[NH3+] ZINC000095930124 188148128 /nfs/dbraw/zinc/14/81/28/188148128.db2.gz SMFDAUDBYARXCJ-ZETCQYMHSA-N 1 0 202.298 0.783 10 0 BCAERO C[C@@H](CC1CCC1)NC(=O)[C@H]1C[NH2+]CCOC1 ZINC000638998888 353245164 /nfs/dbraw/zinc/24/51/64/353245164.db2.gz WXOZPKHCCNFDOB-JQWIXIFHSA-N 1 0 240.347 0.917 10 0 BCAERO C[C@H](CC1CCC1)NC(=O)[C@@H]1C[NH2+]CCOC1 ZINC000638998890 353245278 /nfs/dbraw/zinc/24/52/78/353245278.db2.gz WXOZPKHCCNFDOB-ZYHUDNBSSA-N 1 0 240.347 0.917 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N[C@H](C)CC1CCC1 ZINC000638995997 353239408 /nfs/dbraw/zinc/23/94/08/353239408.db2.gz HNWHBFCYHUFPQU-PSASIEDQSA-N 1 0 214.309 0.655 10 0 BCAERO C1COC2(CCC[N@@H+]([C@H]3CCOC3)C2)O1 ZINC000134077016 353272702 /nfs/dbraw/zinc/27/27/02/353272702.db2.gz ZIGHFWBEZGSVSP-JTQLQIEISA-N 1 0 213.277 0.614 10 0 BCAERO C1COC2(CCC[N@@H+]([C@@H]3CCOC3)C2)O1 ZINC000134076839 353272770 /nfs/dbraw/zinc/27/27/70/353272770.db2.gz ZIGHFWBEZGSVSP-SNVBAGLBSA-N 1 0 213.277 0.614 10 0 BCAERO COCc1cc(C(=O)N2CCC[C@H]2C[NH3+])no1 ZINC000122314768 188216424 /nfs/dbraw/zinc/21/64/24/188216424.db2.gz GDHOZJZKWSCDCQ-QMMMGPOBSA-N 1 0 239.275 0.384 10 0 BCAERO CC(C)N(C)S(=O)(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000126870169 188220523 /nfs/dbraw/zinc/22/05/23/188220523.db2.gz PDWZYWRJUIDPAX-UWVGGRQHSA-N 1 0 249.380 0.241 10 0 BCAERO [NH3+]C1CCC(C(=O)NCC(F)F)CC1 ZINC000166086111 538114434 /nfs/dbraw/zinc/11/44/34/538114434.db2.gz HOWYUFSABOPFAN-UHFFFAOYSA-N 1 0 206.236 0.885 10 0 BCAERO CC(C)[C@H]([NH3+])C(=O)N[C@H]1CCO[C@@H]1C ZINC000134257123 188222978 /nfs/dbraw/zinc/22/29/78/188222978.db2.gz LQWMHXNXIKRBBP-VGMNWLOBSA-N 1 0 200.282 0.263 10 0 BCAERO COC[C@H]([NH3+])C(=O)NC[C@H]1CCCC[C@H]1C ZINC000252150715 353297159 /nfs/dbraw/zinc/29/71/59/353297159.db2.gz MLTPHXSCQMOMST-MXWKQRLJSA-N 1 0 228.336 0.903 10 0 BCAERO C[C@@H]1CCCN(C(=O)CN2CCC[C@H]2C[NH3+])C1 ZINC000252688160 353303600 /nfs/dbraw/zinc/30/36/00/353303600.db2.gz NJFVBPUVRQLPLP-NEPJUHHUSA-N 1 0 239.363 0.668 10 0 BCAERO COC(=O)CC[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252863425 353312105 /nfs/dbraw/zinc/31/21/05/353312105.db2.gz OQFVVOWRINPWNE-DCAQKATOSA-N 1 0 226.320 0.609 10 0 BCAERO Cc1nnc(N2CC[C@H]3CC[C@@H](C2)[NH2+]3)nc1C ZINC000165386613 353330235 /nfs/dbraw/zinc/33/02/35/353330235.db2.gz AFCKFFSVRHTJEY-MNOVXSKESA-N 1 0 233.319 0.819 10 0 BCAERO [NH3+]C1(C(=O)Nc2ccc(Cl)nn2)CC1 ZINC000160165094 353360848 /nfs/dbraw/zinc/36/08/48/353360848.db2.gz HGGJMJNSTJLAIA-UHFFFAOYSA-N 1 0 212.640 0.560 10 0 BCAERO C[C@H]1CCCCC[N@@H+]1[C@H](C[NH3+])C(=O)[O-] ZINC000252206254 363218975 /nfs/dbraw/zinc/21/89/75/363218975.db2.gz VERNOWQYZUKDTJ-DTWKUNHWSA-N 1 0 200.282 0.663 10 0 BCAERO CC(C)CN(CC(N)=O)C(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000091545049 353409599 /nfs/dbraw/zinc/40/95/99/353409599.db2.gz DJQVEEUHOUEKQV-VHSXEESVSA-N 1 0 241.335 0.084 10 0 BCAERO C[C@@H]1[NH2+]CCC[C@H]1Nc1ccncc1C#N ZINC000398990192 353494016 /nfs/dbraw/zinc/49/40/16/353494016.db2.gz KRJKGUIVILFRDS-GXSJLCMTSA-N 1 0 216.288 0.928 10 0 BCAERO CN(Cc1cn(C)nn1)[C@H]1CCC[NH2+]CC1 ZINC000231462558 353605917 /nfs/dbraw/zinc/60/59/17/353605917.db2.gz WQZZRLQQCUYHFS-NSHDSACASA-N 1 0 223.324 0.389 10 0 BCAERO CN(C(=O)c1ccnn1C)[C@H]1CCC[NH2+]CC1 ZINC000231477848 353606364 /nfs/dbraw/zinc/60/63/64/353606364.db2.gz AZBLGYUPHFSRDQ-JTQLQIEISA-N 1 0 236.319 0.634 10 0 BCAERO c1ccc(N2CCO[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000253595709 324191996 /nfs/dbraw/zinc/19/19/96/324191996.db2.gz HQYQYGPZYTWDLC-NEPJUHHUSA-N 1 0 204.273 0.864 10 0 BCAERO C[C@H]1CN([C@H](C[NH3+])C(F)(F)F)CCO1 ZINC000252429189 363243658 /nfs/dbraw/zinc/24/36/58/363243658.db2.gz VZYJUQVOBBDRLK-NKWVEPMBSA-N 1 0 212.215 0.597 10 0 BCAERO CC(C)([NH3+])c1n[nH]c(=O)n1Cc1ccccc1 ZINC000232308925 353708321 /nfs/dbraw/zinc/70/83/21/353708321.db2.gz AJVNDKBSNHGKTP-UHFFFAOYSA-N 1 0 232.287 0.814 10 0 BCAERO CCCc1noc(CN2C[C@H]([NH3+])[C@@H](C)C2)n1 ZINC000233395799 353817240 /nfs/dbraw/zinc/81/72/40/353817240.db2.gz RFTLQJZRWHDLDZ-IUCAKERBSA-N 1 0 224.308 0.801 10 0 BCAERO CCN(C[C@@H]1CCCO1)C(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000233460491 353821917 /nfs/dbraw/zinc/82/19/17/353821917.db2.gz XLZRCYQWEMBXGM-GRYCIOLGSA-N 1 0 240.347 0.869 10 0 BCAERO CC(C)[C@H](CO)[NH2+]C[C@H](O)C(C)(C)C ZINC000308516384 188522981 /nfs/dbraw/zinc/52/29/81/188522981.db2.gz FHCLHCDWIHMHML-UWVGGRQHSA-N 1 0 203.326 1.000 10 0 BCAERO CON(C)C(=O)[C@H]1CCCCCC[NH2+]1 ZINC000301012284 363294144 /nfs/dbraw/zinc/29/41/44/363294144.db2.gz MDCAATAANYPOMN-SECBINFHSA-N 1 0 200.282 0.929 10 0 BCAERO CO[C@@H]1C[C@H](CO)[N@H+](C[C@H]2CCCOC2)C1 ZINC000343997076 354064884 /nfs/dbraw/zinc/06/48/84/354064884.db2.gz ZXWZKVCBQSQMIY-IJLUTSLNSA-N 1 0 229.320 0.495 10 0 BCAERO CC(C)(C)N1C[C@H](CC[NH3+])OCC1=O ZINC000077296860 188581296 /nfs/dbraw/zinc/58/12/96/188581296.db2.gz DNMGPUYNHIPMJN-QMMMGPOBSA-N 1 0 200.282 0.361 10 0 BCAERO C[C@H]([NH3+])CNC(=O)[C@H]1CCC(F)(F)C1 ZINC000301037931 363358590 /nfs/dbraw/zinc/35/85/90/363358590.db2.gz XWNJZFCEORBHBW-BQBZGAKWSA-N 1 0 206.236 0.885 10 0 BCAERO [NH3+]C[C@@H]1CCCN1C(=O)NC[C@@H]1CCCO1 ZINC000334596097 354229413 /nfs/dbraw/zinc/22/94/13/354229413.db2.gz JQAYRZGTIQSFJJ-UWVGGRQHSA-N 1 0 227.308 0.298 10 0 BCAERO Cn1ccc(CN2C[C@H](F)C[C@H]2CO)c1 ZINC000334771441 354591059 /nfs/dbraw/zinc/59/10/59/354591059.db2.gz XOPAPIKNOOFYQU-MNOVXSKESA-N 1 0 212.268 0.930 10 0 BCAERO Cn1ccc(CN2C[C@@H](F)C[C@@H]2CO)c1 ZINC000334771446 354591112 /nfs/dbraw/zinc/59/11/12/354591112.db2.gz XOPAPIKNOOFYQU-WDEREUQCSA-N 1 0 212.268 0.930 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)N2CC[NH2+][C@@H](C)[C@H]2C)O1 ZINC000379449331 358488585 /nfs/dbraw/zinc/48/85/85/358488585.db2.gz ANALHVAKXBARRT-LMLFDSFASA-N 1 0 226.320 0.763 10 0 BCAERO CC[C@H](CO)N(C)Cc1nnc(C)n1CC ZINC000345876294 354794051 /nfs/dbraw/zinc/79/40/51/354794051.db2.gz ASZWGWJSIHORIR-SNVBAGLBSA-N 1 0 226.324 0.809 10 0 BCAERO CN(C[C@@H]1CC[N@H+](C)C1)C(=O)C(C)(C)O ZINC000234371214 363420944 /nfs/dbraw/zinc/42/09/44/363420944.db2.gz BCNQLTAKIJNENI-SECBINFHSA-N 1 0 214.309 0.167 10 0 BCAERO C[C@@H]1CN(C(=O)C(C)(C)O)C[C@@H]1[NH+](C)C ZINC000235293071 363441145 /nfs/dbraw/zinc/44/11/45/363441145.db2.gz NGGUCIPQBPDKAZ-BDAKNGLRSA-N 1 0 214.309 0.166 10 0 BCAERO COC[C@@H](C)C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000113456100 354991071 /nfs/dbraw/zinc/99/10/71/354991071.db2.gz OUEXYFZSOMHNCP-MNOVXSKESA-N 1 0 228.336 0.679 10 0 BCAERO C[C@@H](O)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000087414562 355216400 /nfs/dbraw/zinc/21/64/00/355216400.db2.gz BAOHTXMXGHBJGQ-SECBINFHSA-N 1 0 207.277 0.545 10 0 BCAERO OC[C@H]1C[C@H](O)CN1Cc1cncc(F)c1 ZINC000346994212 355192368 /nfs/dbraw/zinc/19/23/68/355192368.db2.gz ZVPZRXHLGSDIKW-MNOVXSKESA-N 1 0 226.251 0.148 10 0 BCAERO CC(C)S(=O)(=O)N1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000232981786 355218437 /nfs/dbraw/zinc/21/84/37/355218437.db2.gz HHVSNUNBTZIQHJ-SFYZADRCSA-N 1 0 206.311 0.004 10 0 BCAERO NC(=[NH2+])CCn1nnc(-c2ccccc2)n1 ZINC000019817944 181186688 /nfs/dbraw/zinc/18/66/88/181186688.db2.gz SNHQCXLKQYVWGW-UHFFFAOYSA-N 1 0 216.248 0.666 10 0 BCAERO NC(=[NH2+])c1ccccc1SC[C@@H](O)CO ZINC000062566056 181196071 /nfs/dbraw/zinc/19/60/71/181196071.db2.gz UDSLPSQOONXAFG-ZETCQYMHSA-N 1 0 226.301 0.416 10 0 BCAERO NC(=[NH2+])c1cccnc1N1CCC[C@@H]1CO ZINC000042432917 181196385 /nfs/dbraw/zinc/19/63/85/181196385.db2.gz LVWJBKIQEBFHCZ-MRVPVSSYSA-N 1 0 220.276 0.327 10 0 BCAERO CCONC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000166467654 355520495 /nfs/dbraw/zinc/52/04/95/355520495.db2.gz GOLNGIFMZIWQOX-VHSXEESVSA-N 1 0 227.308 0.816 10 0 BCAERO CCC[C@@H](C[NH2+]C[C@H]1CC(=O)N(C)C1)OC ZINC000639321536 355722873 /nfs/dbraw/zinc/72/28/73/355722873.db2.gz OOOOKBAWZRXIST-MNOVXSKESA-N 1 0 228.336 0.869 10 0 BCAERO CC[C@](C)(C[NH2+]C[C@@H]1CC(=O)N(C)C1)OC ZINC000639319544 355719806 /nfs/dbraw/zinc/71/98/06/355719806.db2.gz DMBHWAZKVWLNAL-CMPLNLGQSA-N 1 0 228.336 0.869 10 0 BCAERO CCC[C@H](C[NH2+]C[C@H]1CC(=O)N(C)C1)OC ZINC000639321535 355723049 /nfs/dbraw/zinc/72/30/49/355723049.db2.gz OOOOKBAWZRXIST-GHMZBOCLSA-N 1 0 228.336 0.869 10 0 BCAERO [NH3+][C@H]1C[C@H]2CO[C@H](c3ccccc3)N2C1=O ZINC000383921616 355768233 /nfs/dbraw/zinc/76/82/33/355768233.db2.gz KQVNEAOYXCZUTI-JBLDHEPKSA-N 1 0 218.256 0.644 10 0 BCAERO CO[C@](C)(C[NH2+]C[C@@H]1CC(=O)N(C)C1)C1CC1 ZINC000639322570 355723936 /nfs/dbraw/zinc/72/39/36/355723936.db2.gz WKGNMHDMNITYIT-GXFFZTMASA-N 1 0 240.347 0.869 10 0 BCAERO CO[C@@]1(C[NH2+]CC2CC(O)C2)CCOC1 ZINC000639352331 355801097 /nfs/dbraw/zinc/80/10/97/355801097.db2.gz HLBAHFHRNUSPSO-VQXHTEKXSA-N 1 0 215.293 0.152 10 0 BCAERO Cn1cc(CCC[NH2+][C@@H]2CCOC[C@@H]2O)cn1 ZINC000639354345 355805968 /nfs/dbraw/zinc/80/59/68/355805968.db2.gz HDJUOQWFWWTUFQ-NEPJUHHUSA-N 1 0 239.319 0.092 10 0 BCAERO O[C@@H]1COCC[C@H]1[NH2+]CCC1CCOCC1 ZINC000639355601 355809870 /nfs/dbraw/zinc/80/98/70/355809870.db2.gz WDISSDVEMYEVRI-VXGBXAGGSA-N 1 0 229.320 0.543 10 0 BCAERO C[C@@H]1C[C@H]([NH2+][C@H]2CCOC[C@@H]2O)CS1 ZINC000639355788 355810034 /nfs/dbraw/zinc/81/00/34/355810034.db2.gz YMMFDZOQCVASMC-KATARQTJSA-N 1 0 217.334 0.620 10 0 BCAERO NC(=O)C1(N2CCC[NH2+]CC2)CCCC1 ZINC000037943815 181214594 /nfs/dbraw/zinc/21/45/94/181214594.db2.gz BFXVGBHVBSYYMD-UHFFFAOYSA-N 1 0 211.309 0.080 10 0 BCAERO COC(=O)CCC[NH2+][C@@H]1CCO[C@H]1C ZINC000134386496 355855190 /nfs/dbraw/zinc/85/51/90/355855190.db2.gz MCEQDMODVGZHNV-DTWKUNHWSA-N 1 0 201.266 0.707 10 0 BCAERO [NH3+]CC(=O)Nc1ccc(Br)nc1 ZINC000226393105 355859107 /nfs/dbraw/zinc/85/91/07/355859107.db2.gz RELJEZOLCKTGPS-UHFFFAOYSA-N 1 0 230.065 0.741 10 0 BCAERO NC(=O)C1(NCc2cccs2)CC[NH2+]CC1 ZINC000040695224 181215586 /nfs/dbraw/zinc/21/55/86/181215586.db2.gz KBHHMIWIGMVPFP-UHFFFAOYSA-N 1 0 239.344 0.445 10 0 BCAERO NC(=O)C1CC[NH+](Cc2ccc(O)c(N)c2)CC1 ZINC000037272747 181217792 /nfs/dbraw/zinc/21/77/92/181217792.db2.gz IPCKWJSXPHYFLN-UHFFFAOYSA-N 1 0 249.314 0.672 10 0 BCAERO NC(=O)CC1CCN([C@@H]2CCC[C@@H]2[NH3+])CC1 ZINC000042438602 181220238 /nfs/dbraw/zinc/22/02/38/181220238.db2.gz HNYKTPQVPFQBSZ-WDEREUQCSA-N 1 0 225.336 0.454 10 0 BCAERO COc1c(C[NH2+][C@@H](C)C[C@H](C)O)c(C)nn1C ZINC000167409196 355992030 /nfs/dbraw/zinc/99/20/30/355992030.db2.gz VMVJJZYEPJDEFF-IUCAKERBSA-N 1 0 241.335 0.986 10 0 BCAERO COc1c(C[NH2+][C@H](C)C[C@@H](C)O)c(C)nn1C ZINC000167409099 355992635 /nfs/dbraw/zinc/99/26/35/355992635.db2.gz VMVJJZYEPJDEFF-RKDXNWHRSA-N 1 0 241.335 0.986 10 0 BCAERO NC(=O)CCC[C@@H]([NH3+])c1ccc2c(c1)CC(=O)N2 ZINC000037635933 181222748 /nfs/dbraw/zinc/22/27/48/181222748.db2.gz LTQXMMCWYBSUDV-SNVBAGLBSA-N 1 0 247.298 0.837 10 0 BCAERO NC(=O)CC[NH+]1CCN(c2nccs2)CC1 ZINC000022969498 181223758 /nfs/dbraw/zinc/22/37/58/181223758.db2.gz RWFKXGOUDKSUFZ-UHFFFAOYSA-N 1 0 240.332 0.141 10 0 BCAERO NC(=O)CNCc1cccc2c1OCCCO2 ZINC000036167334 181235114 /nfs/dbraw/zinc/23/51/14/181235114.db2.gz KTBWJWLHPOXMEV-UHFFFAOYSA-N 1 0 236.271 0.423 10 0 BCAERO NC(=O)CNc1ccc(N)c2c[nH+]ccc12 ZINC000035332486 181237339 /nfs/dbraw/zinc/23/73/39/181237339.db2.gz ZXOLLBLYRVTMQZ-UHFFFAOYSA-N 1 0 216.244 0.714 10 0 BCAERO NC(=O)C[NH2+][C@H]1CCOc2ccccc21 ZINC000019392505 181237400 /nfs/dbraw/zinc/23/74/00/181237400.db2.gz WLJVTWIKFDNCQF-VIFPVBQESA-N 1 0 206.245 0.585 10 0 BCAERO NC(=O)CN(Cc1ccccn1)C1CC[NH2+]CC1 ZINC000037543246 181229084 /nfs/dbraw/zinc/22/90/84/181229084.db2.gz LVLURFXCQVCJGF-UHFFFAOYSA-N 1 0 248.330 0.121 10 0 BCAERO NC(=O)CN(C1CCCC1)[C@H]1CCC[NH2+]C1 ZINC000042429085 181230016 /nfs/dbraw/zinc/23/00/16/181230016.db2.gz SKBXIFYYTOICAZ-NSHDSACASA-N 1 0 225.336 0.468 10 0 BCAERO NC(=O)C[C@@H]([NH3+])c1ccc(F)cc1F ZINC000020578106 181241384 /nfs/dbraw/zinc/24/13/84/181241384.db2.gz FDSKOLMQKFEVIR-MRVPVSSYSA-N 1 0 200.188 0.840 10 0 BCAERO NC(=O)C[C@H]([NH3+])c1cc(F)ccc1F ZINC000037228296 181244534 /nfs/dbraw/zinc/24/45/34/181244534.db2.gz UPVLRWFFZJNJDP-QMMMGPOBSA-N 1 0 200.188 0.840 10 0 BCAERO O[C@H]1C[NH2+]C[C@H]1CNc1ncc(Cl)cc1F ZINC000420248708 192186750 /nfs/dbraw/zinc/18/67/50/192186750.db2.gz IKXIJWCSOLTDFD-RCOVLWMOSA-N 1 0 245.685 0.866 10 0 BCAERO O[C@@H]1C[NH2+]C[C@@H]1CNc1ccncc1Cl ZINC000420252664 192188136 /nfs/dbraw/zinc/18/81/36/192188136.db2.gz OJLWNIZIVUTQNG-GMSGAONNSA-N 1 0 227.695 0.149 10 0 BCAERO O[C@@H]1C[NH2+]C[C@H]1CNc1cnc2ccccc2n1 ZINC000420259680 192189885 /nfs/dbraw/zinc/18/98/85/192189885.db2.gz ZBKPYNOFOIRKSW-JOYOIKCWSA-N 1 0 244.298 0.622 10 0 BCAERO NC(=O)[C@@H]([NH3+])COc1cc(F)cc(F)c1 ZINC000054934000 181265196 /nfs/dbraw/zinc/26/51/96/181265196.db2.gz PPWXXFOYCGMLKT-QMMMGPOBSA-N 1 0 216.187 0.156 10 0 BCAERO C[C@@H]([C@H]1CCCCC[NH2+]1)S(C)(=O)=O ZINC000167641270 356429207 /nfs/dbraw/zinc/42/92/07/356429207.db2.gz RKWWACDBNQRUPG-DTWKUNHWSA-N 1 0 205.323 0.952 10 0 BCAERO [NH3+]C[C@H]1COCCN1Cc1cccs1 ZINC000129726169 356457624 /nfs/dbraw/zinc/45/76/24/356457624.db2.gz ULFSYQFAGYLHPX-VIFPVBQESA-N 1 0 212.318 0.908 10 0 BCAERO NC(=O)[C@H]([NH3+])CCn1ncc2ccccc21 ZINC000062537877 181277015 /nfs/dbraw/zinc/27/70/15/181277015.db2.gz HAHWSGREPDUJHT-SECBINFHSA-N 1 0 218.260 0.239 10 0 BCAERO NC(=O)[C@H]([NH2+]C[C@H]1CCCO1)[C@H]1CC=CCC1 ZINC000037943182 181278721 /nfs/dbraw/zinc/27/87/21/181278721.db2.gz MDDFVJPFHPBRNY-QJPTWQEYSA-N 1 0 238.331 0.965 10 0 BCAERO NC(=O)[C@H]([NH2+]C1CCCC1)[C@H]1CCOC1 ZINC000037968803 181278898 /nfs/dbraw/zinc/27/88/98/181278898.db2.gz YCMFONFEJNKTMS-WCBMZHEXSA-N 1 0 212.293 0.409 10 0 BCAERO NC(=O)[C@H]1CCC[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000043493498 181281243 /nfs/dbraw/zinc/28/12/43/181281243.db2.gz WHNZKQHFXFTDPB-QWRGUYRKSA-N 1 0 225.336 0.183 10 0 BCAERO NC(=O)[C@H]1CCC[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000051918926 181281815 /nfs/dbraw/zinc/28/18/15/181281815.db2.gz WJBUMHZMWGQUHQ-WDEREUQCSA-N 1 0 225.336 0.326 10 0 BCAERO NC(=O)[C@H]1CCCN1c1cc[nH+]cc1N ZINC000020370473 181282350 /nfs/dbraw/zinc/28/23/50/181282350.db2.gz FNFJYCVOCLPGFI-SECBINFHSA-N 1 0 206.249 0.118 10 0 BCAERO COc1nscc1[C@H]1CC[NH2+]C[C@H]1N ZINC000675058967 538482429 /nfs/dbraw/zinc/48/24/29/538482429.db2.gz DWKSARVQXRJJJC-HTRCEHHLSA-N 1 0 213.306 0.556 10 0 BCAERO CC[C@]1(CNC(=O)C(C)C)C[NH2+]CCO1 ZINC000675058916 538482453 /nfs/dbraw/zinc/48/24/53/538482453.db2.gz BPNDXQGIQHLDIB-LLVKDONJSA-N 1 0 214.309 0.527 10 0 BCAERO CC(C)C(=O)NC[C@@]1(C)C[NH2+]CCO1 ZINC000675059266 538484367 /nfs/dbraw/zinc/48/43/67/538484367.db2.gz MLIKDTRWZIGVHW-SNVBAGLBSA-N 1 0 200.282 0.137 10 0 BCAERO CC[C@]1(CNC(=O)NCC(C)C)C[NH2+]CCO1 ZINC000675059012 538483082 /nfs/dbraw/zinc/48/30/82/538483082.db2.gz GRJPQKDXVCWTEO-GFCCVEGCSA-N 1 0 243.351 0.710 10 0 BCAERO C[C@]1(C[NH3+])CN(C(=O)C2CCC2)CCO1 ZINC000675058932 538483137 /nfs/dbraw/zinc/48/31/37/538483137.db2.gz COFPFDLPJIOSIA-NSHDSACASA-N 1 0 212.293 0.363 10 0 BCAERO CC(C)CNC(=O)N1CCO[C@](C)(C[NH3+])C1 ZINC000675059311 538483179 /nfs/dbraw/zinc/48/31/79/538483179.db2.gz NUUSMXFAYOCCSH-LLVKDONJSA-N 1 0 229.324 0.402 10 0 BCAERO CCCCNC(=O)N1CCO[C@@](C)(C[NH3+])C1 ZINC000675059303 538483594 /nfs/dbraw/zinc/48/35/94/538483594.db2.gz NFGDZTKSWWCANG-NSHDSACASA-N 1 0 229.324 0.546 10 0 BCAERO COCCC(=O)N1CC(OC2CC[NH2+]CC2)C1 ZINC000675055557 538475993 /nfs/dbraw/zinc/47/59/93/538475993.db2.gz WIUTYKKUKPTATO-UHFFFAOYSA-N 1 0 242.319 0.002 10 0 BCAERO COCCNC(=O)N1CC[C@@H]2CC[NH2+]C[C@@H]21 ZINC000675056134 538477507 /nfs/dbraw/zinc/47/75/07/538477507.db2.gz DDUKBQCMKFWAMK-UWVGGRQHSA-N 1 0 227.308 0.026 10 0 BCAERO CCC(=O)N[C@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000675059660 538485205 /nfs/dbraw/zinc/48/52/05/538485205.db2.gz KVNPLURTSORQMP-RITPCOANSA-N 1 0 210.199 0.663 10 0 BCAERO CC(C)[C@H](C)C(=O)N1CCO[C@@](C)(C[NH3+])C1 ZINC000675060003 538485276 /nfs/dbraw/zinc/48/52/76/538485276.db2.gz ZLIWJVHWJBYDOU-JQWIXIFHSA-N 1 0 228.336 0.855 10 0 BCAERO CC(C)C(=O)N1CCO[C@](C)(C[NH3+])C1 ZINC000675060023 538485282 /nfs/dbraw/zinc/48/52/82/538485282.db2.gz ZORQRVUSDNZILA-SNVBAGLBSA-N 1 0 200.282 0.219 10 0 BCAERO CC[C@]1(CNC(=O)C(C)(C)C)C[NH2+]CCO1 ZINC000675059728 538485354 /nfs/dbraw/zinc/48/53/54/538485354.db2.gz VSMZUJFRKPKRQR-GFCCVEGCSA-N 1 0 228.336 0.917 10 0 BCAERO CCC(C)(C)NC(=O)N1CCO[C@@](C)(C[NH3+])C1 ZINC000675059731 538485362 /nfs/dbraw/zinc/48/53/62/538485362.db2.gz VTOHMJDRLXRLQI-LBPRGKRZSA-N 1 0 243.351 0.934 10 0 BCAERO CC[C@]1(C[NH3+])CN(C(=O)NC(C)(C)C)CCO1 ZINC000675059742 538485373 /nfs/dbraw/zinc/48/53/73/538485373.db2.gz WDQAJAYFLQAYCG-LBPRGKRZSA-N 1 0 243.351 0.934 10 0 BCAERO O=C([O-])[C@@H]1C[NH2+]C[C@@H](C2CC[NH2+]CC2)C1 ZINC000675060208 538485863 /nfs/dbraw/zinc/48/58/63/538485863.db2.gz UJVICASXCJCHGM-UWVGGRQHSA-N 1 0 212.293 0.296 10 0 BCAERO CCCC(=O)N1CCO[C@@](CC)(C[NH3+])C1 ZINC000675059889 538486004 /nfs/dbraw/zinc/48/60/04/538486004.db2.gz XENOVYZEYJAVHN-NSHDSACASA-N 1 0 214.309 0.753 10 0 BCAERO CCN1C(=O)CC[C@@H](C[NH3+])[C@@H]1c1cnn(C)c1 ZINC000675060166 538486132 /nfs/dbraw/zinc/48/61/32/538486132.db2.gz SPSJEKJDZBPWEY-JOYOIKCWSA-N 1 0 236.319 0.678 10 0 BCAERO C=CC(=O)Nc1ccc([C@@H](O)[C@@H]([NH3+])CO)cc1 ZINC000675060274 538486283 /nfs/dbraw/zinc/48/62/83/538486283.db2.gz DKZHZOSGQIKKDW-CMPLNLGQSA-N 1 0 236.271 0.164 10 0 BCAERO [NH3+]C[C@@H]1C[C@@H]2C[C@H](NS(=O)(=O)C3CC3)[C@H]2C1 ZINC000675068491 538497217 /nfs/dbraw/zinc/49/72/17/538497217.db2.gz APLJKJHZGXBIEW-HZQMYPQZSA-N 1 0 244.360 0.442 10 0 BCAERO Cc1nc(CC2=C[C@H](O)C[NH2+]C2)cs1 ZINC000675076818 538511253 /nfs/dbraw/zinc/51/12/53/538511253.db2.gz GLFNKECOSXHKJT-JTQLQIEISA-N 1 0 210.302 0.885 10 0 BCAERO CCS(=O)(=O)N[C@@H]1C[C@@H]2C[C@@H](C[NH3+])C[C@H]12 ZINC000675069413 538498766 /nfs/dbraw/zinc/49/87/66/538498766.db2.gz HKKBDMGVICQQKY-XFWSIPNHSA-N 1 0 232.349 0.299 10 0 BCAERO COCCC(=O)N[C@@H]1C[C@@H]2C[C@@H](C[NH3+])C[C@@H]12 ZINC000675070079 538500029 /nfs/dbraw/zinc/50/00/29/538500029.db2.gz LGOYHYMAVZMQNJ-LMLFDSFASA-N 1 0 226.320 0.513 10 0 BCAERO COCCC(=O)N[C@@H]1C[C@@H]2C[C@@H](C[NH3+])C[C@H]12 ZINC000675070081 538500184 /nfs/dbraw/zinc/50/01/84/538500184.db2.gz LGOYHYMAVZMQNJ-VPOLOUISSA-N 1 0 226.320 0.513 10 0 BCAERO CCCCS(=O)(=O)N1CCC[C@@H]2C[C@@]21C[NH3+] ZINC000675070266 538500373 /nfs/dbraw/zinc/50/03/73/538500373.db2.gz NKSYJVUKXYDMCE-GHMZBOCLSA-N 1 0 246.376 0.930 10 0 BCAERO C[NH+](C)CC(=O)N[C@@H]1C[C@@H]2C[C@@H](CO)C[C@H]12 ZINC000675070311 538500690 /nfs/dbraw/zinc/50/06/90/538500690.db2.gz ODKQDCAPBYQSSK-VPOLOUISSA-N 1 0 226.320 0.071 10 0 BCAERO CCNC(=O)N[C@@H]1C[C@@H]2C[C@@H](C[NH3+])C[C@H]12 ZINC000675070741 538500769 /nfs/dbraw/zinc/50/07/69/538500769.db2.gz SHHUXXSQPVXSBQ-XFWSIPNHSA-N 1 0 211.309 0.679 10 0 BCAERO COCCC(=O)NC[C@]12C[C@H]1CCC[NH2+]2 ZINC000675070296 538500899 /nfs/dbraw/zinc/50/08/99/538500899.db2.gz NWLRBSIIFBOOID-MWLCHTKSSA-N 1 0 212.293 0.281 10 0 BCAERO COCCC(=O)NC[C@@]12C[C@@H]1CCC[NH2+]2 ZINC000675070297 538500956 /nfs/dbraw/zinc/50/09/56/538500956.db2.gz NWLRBSIIFBOOID-ONGXEEELSA-N 1 0 212.293 0.281 10 0 BCAERO COCCC(=O)NC[C@@H]1C[C@@H]2C[C@@H]([NH3+])[C@@H]2C1 ZINC000675070669 538501060 /nfs/dbraw/zinc/50/10/60/538501060.db2.gz RFEYMOYGDAFIDW-GWOFURMSSA-N 1 0 226.320 0.513 10 0 BCAERO C[NH+](C)CC(=O)N[C@@H]1C[C@@H]2C[C@H](CO)C[C@H]12 ZINC000675070312 538501254 /nfs/dbraw/zinc/50/12/54/538501254.db2.gz ODKQDCAPBYQSSK-XWLWVQCSSA-N 1 0 226.320 0.071 10 0 BCAERO Cc1cc(-c2c(N)cnn2C)cc(N)[nH+]1 ZINC000675070987 538501822 /nfs/dbraw/zinc/50/18/22/538501822.db2.gz VCMNBVAJZBMWTI-UHFFFAOYSA-N 1 0 203.249 0.955 10 0 BCAERO CC(C)(C)C(=O)N(C1C[NH2+]C1)[C@@H]1CCOC1 ZINC000675071215 538502290 /nfs/dbraw/zinc/50/22/90/538502290.db2.gz YDLXYWFEXPMJQS-SECBINFHSA-N 1 0 226.320 0.622 10 0 BCAERO CC[C@H](C)[NH2+]C[C@](O)(C(=O)OC)C(F)(F)F ZINC000675072832 538504245 /nfs/dbraw/zinc/50/42/45/538504245.db2.gz IHYDWKXTRNYIFJ-XPUUQOCRSA-N 1 0 243.225 0.841 10 0 BCAERO CC[C@@H](C)[NH2+]C[C@@](O)(C(=O)OC)C(F)(F)F ZINC000675072826 538504375 /nfs/dbraw/zinc/50/43/75/538504375.db2.gz IHYDWKXTRNYIFJ-HTRCEHHLSA-N 1 0 243.225 0.841 10 0 BCAERO N[C@@]1(c2ncc(Br)cn2)CC[NH2+]C1 ZINC000675072706 538504481 /nfs/dbraw/zinc/50/44/81/538504481.db2.gz CTVVCPPULUWUTQ-QMMMGPOBSA-N 1 0 243.108 0.386 10 0 BCAERO CC(C)N(C)C(=O)CN1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000167766892 134153753 /nfs/dbraw/zinc/15/37/53/134153753.db2.gz BNRMOZGLBOLNFX-NEPJUHHUSA-N 1 0 241.379 0.770 10 0 BCAERO Cc1c(CO)nnn1C[C@H]1CCCC[NH2+]C1 ZINC000675073157 538505114 /nfs/dbraw/zinc/50/51/14/538505114.db2.gz SRMNTSDJVXMDCG-JTQLQIEISA-N 1 0 224.308 0.469 10 0 BCAERO CCCC[NH2+]C[C@](O)(C(=O)OC)C(F)(F)F ZINC000675073356 538505147 /nfs/dbraw/zinc/50/51/47/538505147.db2.gz NNBXOXOOQPTZDF-QMMMGPOBSA-N 1 0 243.225 0.843 10 0 BCAERO COCCNC(=O)N1CCC[C@H]2C[C@]21C[NH3+] ZINC000675073524 538506150 /nfs/dbraw/zinc/50/61/50/538506150.db2.gz KSGQFMNGEBMXPB-ONGXEEELSA-N 1 0 227.308 0.156 10 0 BCAERO CCC(O)(CC)C[N@@H+]1CC[C@@H](CO)C1 ZINC000163012775 202143737 /nfs/dbraw/zinc/14/37/37/202143737.db2.gz VEXBJHBHSKGNPR-SNVBAGLBSA-N 1 0 201.310 0.852 10 0 BCAERO C[NH2+]Cc1cn(Cc2csc(N)n2)nn1 ZINC000675074168 538506983 /nfs/dbraw/zinc/50/69/83/538506983.db2.gz YRJPOGSXUUDBBF-UHFFFAOYSA-N 1 0 224.293 0.085 10 0 BCAERO COC(=O)[C@@](O)(C[NH2+]C(C)C)C(F)(F)F ZINC000675074099 538507015 /nfs/dbraw/zinc/50/70/15/538507015.db2.gz XUWKJLQLLOHCCA-ZETCQYMHSA-N 1 0 229.198 0.451 10 0 BCAERO Cc1cnc(-c2cnn3c2C[NH2+]CC3)nc1 ZINC000675076249 538510725 /nfs/dbraw/zinc/51/07/25/538510725.db2.gz MJLKNSCOIPIUNU-UHFFFAOYSA-N 1 0 215.260 0.752 10 0 BCAERO Cc1nn(C)cc1CC1=C[C@@H](O)C[NH2+]C1 ZINC000675076593 538511229 /nfs/dbraw/zinc/51/12/29/538511229.db2.gz DSLNLRNILOTXOK-LLVKDONJSA-N 1 0 207.277 0.162 10 0 BCAERO CCC[C@H](C)C(=O)NCCC1(O)C[NH2+]C1 ZINC000675069309 538498635 /nfs/dbraw/zinc/49/86/35/538498635.db2.gz GSYNHXDXGQIATF-VIFPVBQESA-N 1 0 214.309 0.263 10 0 BCAERO CCn1ncc(Cl)c1C1=C[C@@H]([NH3+])CNC1 ZINC000675077926 538513235 /nfs/dbraw/zinc/51/32/35/538513235.db2.gz KAKHGJQGYJNCJO-MRVPVSSYSA-N 1 0 226.711 0.870 10 0 BCAERO COc1cncc(C2=C[C@@H](O)C[NH2+]C2)c1 ZINC000675077662 538513404 /nfs/dbraw/zinc/51/34/04/538513404.db2.gz PSVSWKUZHJORAO-SNVBAGLBSA-N 1 0 206.245 0.438 10 0 BCAERO COc1cc(C2=C[C@@H](O)C[NH2+]C2)sn1 ZINC000675077589 538513662 /nfs/dbraw/zinc/51/36/62/538513662.db2.gz OQLMYGZSTRXJMZ-SSDOTTSWSA-N 1 0 212.274 0.499 10 0 BCAERO Cn1ccnc1CCC1=C[C@@H](N)C[NH2+]C1 ZINC000675077917 538513679 /nfs/dbraw/zinc/51/36/79/538513679.db2.gz JXTWLJCFWORRGU-SNVBAGLBSA-N 1 0 206.293 0.210 10 0 BCAERO Nc1ncccc1CC1=C[C@@H](N)C[NH2+]C1 ZINC000675077888 538515035 /nfs/dbraw/zinc/51/50/35/538515035.db2.gz JSNBBXSSTUAYTP-SNVBAGLBSA-N 1 0 204.277 0.063 10 0 BCAERO Nc1ncc(Cl)cc1C1=C[C@@H]([NH3+])CNC1 ZINC000675078007 538515046 /nfs/dbraw/zinc/51/50/46/538515046.db2.gz LWHXUKNKXCPESR-MRVPVSSYSA-N 1 0 224.695 0.631 10 0 BCAERO COc1cc(CC2=C[C@H](N)C[NH2+]C2)sn1 ZINC000675078251 538516125 /nfs/dbraw/zinc/51/61/25/538516125.db2.gz ODSINFFWTUABPM-QMMMGPOBSA-N 1 0 225.317 0.551 10 0 BCAERO CCCn1ncnc1C1=C[C@@H](O)C[NH2+]C1 ZINC000675078513 538516588 /nfs/dbraw/zinc/51/65/88/538516588.db2.gz YUQDERMRHKCYLZ-SECBINFHSA-N 1 0 208.265 0.036 10 0 BCAERO C[N@H+](C1CC1)[C@@H]1C[C@@H]([NH3+])C12CCOCC2 ZINC000675078941 538517402 /nfs/dbraw/zinc/51/74/02/538517402.db2.gz CJGLBNSZJQKDCB-GHMZBOCLSA-N 1 0 210.321 0.977 10 0 BCAERO COC[C@H]([NH3+])c1cnnn1CC(F)F ZINC000675080281 538519508 /nfs/dbraw/zinc/51/95/08/538519508.db2.gz NEWDIECBIDMGFW-YFKPBYRVSA-N 1 0 206.196 0.189 10 0 BCAERO CC(C)NC(=O)c1nc2c([nH]1)C[NH2+]CC2 ZINC000675080443 538520288 /nfs/dbraw/zinc/52/02/88/538520288.db2.gz PZDCQRCNWNTDNG-UHFFFAOYSA-N 1 0 208.265 0.194 10 0 BCAERO C[NH2+][C@@H](COC)c1cnnn1CCF ZINC000675080854 538520302 /nfs/dbraw/zinc/52/03/02/538520302.db2.gz WQJIMJMAAXKVKY-ZETCQYMHSA-N 1 0 202.233 0.155 10 0 BCAERO COC[C@@H]([NH3+])c1cnnn1CCCF ZINC000675080855 538520780 /nfs/dbraw/zinc/52/07/80/538520780.db2.gz WRBJQHPRJSNDOY-SSDOTTSWSA-N 1 0 202.233 0.284 10 0 BCAERO CC(C)n1nncc1C1=C[C@@H](O)C[NH2+]C1 ZINC000675077307 538512225 /nfs/dbraw/zinc/51/22/25/538512225.db2.gz KZRFZECPDNIKIR-SECBINFHSA-N 1 0 208.265 0.207 10 0 BCAERO CCn1ccnc1CC1=C[C@H](O)C[NH2+]C1 ZINC000675076977 538512824 /nfs/dbraw/zinc/51/28/24/538512824.db2.gz IAPNHYPFKFQUKB-JTQLQIEISA-N 1 0 207.277 0.336 10 0 BCAERO Cc1cnn([C@@H]2CC[C@]([NH3+])(C(N)=O)C2)c1 ZINC000086626900 538558010 /nfs/dbraw/zinc/55/80/10/538558010.db2.gz BBAKJDNVQPMVCY-PSASIEDQSA-N 1 0 208.265 0.099 10 0 BCAERO CCCCS(=O)(=O)NCC1CC([NH3+])C1 ZINC000084447460 538531863 /nfs/dbraw/zinc/53/18/63/538531863.db2.gz CHLBMLIUHOBUGI-UHFFFAOYSA-N 1 0 220.338 0.443 10 0 BCAERO C[C@@H]1C[C@@H](C)CC(C(N)=O)(N2CC[NH2+]CC2)C1 ZINC000084471057 538532830 /nfs/dbraw/zinc/53/28/30/538532830.db2.gz RLFURGVHUYTSRB-GHMZBOCLSA-N 1 0 239.363 0.572 10 0 BCAERO C[NH2+][C@@]1(C(N)=O)CC[C@@H](n2ccnc2)C1 ZINC000086626560 538558158 /nfs/dbraw/zinc/55/81/58/538558158.db2.gz JTIRLNZGVYIUCN-SCZZXKLOSA-N 1 0 208.265 0.052 10 0 BCAERO COC(=O)[C@@]1([NH3+])CC[C@H](n2ccnc2)C1 ZINC000086626593 538556833 /nfs/dbraw/zinc/55/68/33/538556833.db2.gz GKMWDRFLLOMHLQ-WCBMZHEXSA-N 1 0 209.249 0.479 10 0 BCAERO NC(=O)[C@]1([NH3+])CCC[C@H](n2cccn2)C1 ZINC000086604676 538557041 /nfs/dbraw/zinc/55/70/41/538557041.db2.gz OISWQFKNGCHJAK-WPRPVWTQSA-N 1 0 208.265 0.181 10 0 BCAERO CN(CCC[NH3+])c1ncnc2nc[nH]c21 ZINC000019834400 356706166 /nfs/dbraw/zinc/70/61/66/356706166.db2.gz QPQNGZONIPNXEG-UHFFFAOYSA-N 1 0 206.253 0.138 10 0 BCAERO C[NH2+][C@]1(C(N)=O)CC[C@H](n2ccnc2)C1 ZINC000086626553 538557243 /nfs/dbraw/zinc/55/72/43/538557243.db2.gz JTIRLNZGVYIUCN-WCBMZHEXSA-N 1 0 208.265 0.052 10 0 BCAERO Cc1cnn([C@H]2CC[C@]([NH3+])(C(N)=O)C2)c1 ZINC000086626903 538557322 /nfs/dbraw/zinc/55/73/22/538557322.db2.gz BBAKJDNVQPMVCY-WCBMZHEXSA-N 1 0 208.265 0.099 10 0 BCAERO CCCNC(=O)NC[C@H]1CC[NH2+]C[C@@H]1C ZINC000129819254 538577289 /nfs/dbraw/zinc/57/72/89/538577289.db2.gz AKSRBEOUNWVEAT-VHSXEESVSA-N 1 0 213.325 0.941 10 0 BCAERO CCCCS(=O)(=O)NC[C@H]1CC[NH2+]C[C@H]1C ZINC000129825746 538577893 /nfs/dbraw/zinc/57/78/93/538577893.db2.gz LUPSTYFUBIVTKR-GHMZBOCLSA-N 1 0 248.392 0.952 10 0 BCAERO CC(C)NC(=O)NC[C@@H]1CC[NH2+]C[C@@H]1C ZINC000129820571 538578000 /nfs/dbraw/zinc/57/80/00/538578000.db2.gz GAACGXKLLBQXRB-UWVGGRQHSA-N 1 0 213.325 0.940 10 0 BCAERO C[C@H]1C[NH2+]CC[C@@H]1CNS(=O)(=O)C1CC1 ZINC000129831526 538578919 /nfs/dbraw/zinc/57/89/19/538578919.db2.gz WDANXPGDDJZWKN-DTWKUNHWSA-N 1 0 232.349 0.314 10 0 BCAERO CC(C)[C@H](C)C(=O)N1CCN(C2C[NH2+]C2)CC1 ZINC000090306832 538591754 /nfs/dbraw/zinc/59/17/54/538591754.db2.gz ODOKVUWJESMGFE-NSHDSACASA-N 1 0 239.363 0.395 10 0 BCAERO COc1cc([C@H](O)[C@@H](C)C[NH3+])sn1 ZINC000319200682 538617142 /nfs/dbraw/zinc/61/71/42/538617142.db2.gz DQFBTSBUFVXZAI-YLWLKBPMSA-N 1 0 202.279 0.780 10 0 BCAERO [NH3+][C@H]1CC[C@H](CNS(=O)(=O)C2CC2)C1 ZINC000227630129 538699764 /nfs/dbraw/zinc/69/97/64/538699764.db2.gz UVLZEKYPBNVHDG-YUMQZZPRSA-N 1 0 218.322 0.196 10 0 BCAERO c1ccc(NC[C@H]2C[NH2+]CCCO2)nc1 ZINC000389788911 357032539 /nfs/dbraw/zinc/03/25/39/357032539.db2.gz HCOPUPMPMQYLAC-SNVBAGLBSA-N 1 0 207.277 0.872 10 0 BCAERO c1ccc(NC[C@@H]2C[NH2+]CCCO2)nc1 ZINC000389788910 357032682 /nfs/dbraw/zinc/03/26/82/357032682.db2.gz HCOPUPMPMQYLAC-JTQLQIEISA-N 1 0 207.277 0.872 10 0 BCAERO c1ncn(CC[NH2+]CC[C@H]2CCOC2)n1 ZINC000389701379 357016742 /nfs/dbraw/zinc/01/67/42/357016742.db2.gz JVMUIPCOMNJWDE-JTQLQIEISA-N 1 0 210.281 0.294 10 0 BCAERO C[C@@H]1CC[NH2+]C[C@@H]1Nc1ccc2nccnc2n1 ZINC000389710201 357017803 /nfs/dbraw/zinc/01/78/03/357017803.db2.gz TZCBFOYZFWKWMU-KOLCDFICSA-N 1 0 243.314 0.808 10 0 BCAERO Cc1nnc(NC(=O)[C@@H](C)CC[NH3+])s1 ZINC000129889636 357020380 /nfs/dbraw/zinc/02/03/80/357020380.db2.gz UGQSNODGXYLBOQ-YFKPBYRVSA-N 1 0 214.294 0.770 10 0 BCAERO CC(C)NC(=O)[C@H](C)N1CCC[NH2+]CC1 ZINC000026514088 357164887 /nfs/dbraw/zinc/16/48/87/357164887.db2.gz SQIXKMAKNBOMID-JTQLQIEISA-N 1 0 213.325 0.195 10 0 BCAERO [NH3+]CCNc1cc(C(F)(F)F)ncn1 ZINC000026441001 357118489 /nfs/dbraw/zinc/11/84/89/357118489.db2.gz SRCGWVJPYLCMCD-UHFFFAOYSA-N 1 0 206.171 0.866 10 0 BCAERO CC(C)[C@H](C)C(=O)NC[C@@]1(O)CC[NH2+]C1 ZINC000157099389 538808517 /nfs/dbraw/zinc/80/85/17/538808517.db2.gz PLQQLTULWAJCTM-GXSJLCMTSA-N 1 0 214.309 0.119 10 0 BCAERO CC(C)[C@H]([NH3+])[C@H]1CCCCS1(=O)=O ZINC000168734773 357202162 /nfs/dbraw/zinc/20/21/62/357202162.db2.gz VSYYTPWFETUYOM-BDAKNGLRSA-N 1 0 205.323 0.937 10 0 BCAERO Cc1nnc(OC[C@H]2C[NH2+]CCO2)s1 ZINC000168803472 357240460 /nfs/dbraw/zinc/24/04/60/357240460.db2.gz PGKTXHTXRBSSNA-SSDOTTSWSA-N 1 0 215.278 0.214 10 0 BCAERO C[C@@H]1C[N@H+](C)CC[C@H]1NC(=O)C(F)F ZINC000300043550 357176264 /nfs/dbraw/zinc/17/62/64/357176264.db2.gz XSUCTVVBTQGYLZ-RNFRBKRXSA-N 1 0 206.236 0.708 10 0 BCAERO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]12)C(F)F ZINC000300042394 357176608 /nfs/dbraw/zinc/17/66/08/357176608.db2.gz PFKDUTUHZWIVNR-NKWVEPMBSA-N 1 0 204.220 0.604 10 0 BCAERO C[N@@H+]1CCSC[C@@H]1[C@H](O)C1=CCCO1 ZINC000300053988 357180195 /nfs/dbraw/zinc/18/01/95/357180195.db2.gz UPVYAGSRSPEBTN-SCZZXKLOSA-N 1 0 215.318 0.699 10 0 BCAERO C[C@@H]1C[C@H]1[NH2+]C[C@H]1CC(F)(F)C(=O)O1 ZINC000300051336 357180314 /nfs/dbraw/zinc/18/03/14/357180314.db2.gz HDTIJZIFNCMURY-FSDSQADBSA-N 1 0 205.204 0.935 10 0 BCAERO CO[C@H]1C[NH2+][C@H](C(=O)C2CCOCC2)C1 ZINC000168700998 357188229 /nfs/dbraw/zinc/18/82/29/357188229.db2.gz ONHFEWHWVUYQFA-ZJUUUORDSA-N 1 0 213.277 0.359 10 0 BCAERO Cn1ncc(Cl)c1C[NH2+]CC1CC(O)C1 ZINC000394626190 357365073 /nfs/dbraw/zinc/36/50/73/357365073.db2.gz WOFQOTNIJVZNDV-UHFFFAOYSA-N 1 0 229.711 0.934 10 0 BCAERO NC(=O)c1cc(NC2CCC([NH3+])CC2)ccn1 ZINC000051693967 181291287 /nfs/dbraw/zinc/29/12/87/181291287.db2.gz USSRFNLVFJDYIA-UHFFFAOYSA-N 1 0 234.303 0.862 10 0 BCAERO CC(C)N1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2O)C1=O ZINC000583093645 357479325 /nfs/dbraw/zinc/47/93/25/357479325.db2.gz BWTSMGHCZHVRRB-GRYCIOLGSA-N 1 0 240.347 0.889 10 0 BCAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+][C@H]1COC(C)(C)C1 ZINC000396776850 357483593 /nfs/dbraw/zinc/48/35/93/357483593.db2.gz CEJHGMXWQHHNRI-IVZWLZJFSA-N 1 0 226.320 0.811 10 0 BCAERO [NH3+][C@@H]1CC[C@@H](C(=O)N2CCc3n[nH]cc3C2)C1 ZINC000396848887 357485752 /nfs/dbraw/zinc/48/57/52/357485752.db2.gz JIISBHPBURWKLE-PSASIEDQSA-N 1 0 234.303 0.422 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000136291209 491111822 /nfs/dbraw/zinc/11/18/22/491111822.db2.gz CWCDHVWGMWFYDP-NXEZZACHSA-N 1 0 241.335 0.084 10 0 BCAERO Fc1ccc(C[NH2+][C@H]2CCc3ncnn3C2)cn1 ZINC000189071603 357603295 /nfs/dbraw/zinc/60/32/95/357603295.db2.gz LPMWPMMNFJGHIY-JTQLQIEISA-N 1 0 247.277 0.917 10 0 BCAERO COC(=O)C(=O)C[C@@H]1[NH2+]C[C@@H]2CCC[C@@H]21 ZINC000229135779 538881312 /nfs/dbraw/zinc/88/13/12/538881312.db2.gz HMCJEPNOSQUCEM-CIUDSAMLSA-N 1 0 211.261 0.507 10 0 BCAERO CCn1ccnc1CN1CCCNC(=O)[C@H]1C ZINC000189105320 357615549 /nfs/dbraw/zinc/61/55/49/357615549.db2.gz YHGLFFLRANQMDO-SNVBAGLBSA-N 1 0 236.319 0.613 10 0 BCAERO CCCS(=O)(=O)NC1(C)CCC([NH3+])CC1 ZINC000685946541 538885765 /nfs/dbraw/zinc/88/57/65/538885765.db2.gz ANIMJPNXZIGEBW-UHFFFAOYSA-N 1 0 234.365 0.976 10 0 BCAERO CC(C)(C)NC(=O)N[C@H]1CC[NH2+]C[C@H]1F ZINC000685946739 538886945 /nfs/dbraw/zinc/88/69/45/538886945.db2.gz VMJBFVLJKUMGOG-SFYZADRCSA-N 1 0 217.288 0.784 10 0 BCAERO CCCNC(=O)N1CC2(C1)CCC[NH2+]C2 ZINC000685946521 538887927 /nfs/dbraw/zinc/88/79/27/538887927.db2.gz CDVHWYWBRZCIPB-UHFFFAOYSA-N 1 0 211.309 0.791 10 0 BCAERO CCCCS(=O)(=O)N[C@H]1CC[NH2+]C[C@@H]1F ZINC000685946376 538887965 /nfs/dbraw/zinc/88/79/65/538887965.db2.gz RMTTVDOJSMDUQM-IUCAKERBSA-N 1 0 238.328 0.406 10 0 BCAERO CC[C@]1(NS(=O)(=O)C(C)C)CCC[NH2+]C1 ZINC000685946889 538888079 /nfs/dbraw/zinc/88/80/79/538888079.db2.gz FUUGDODZORABMK-JTQLQIEISA-N 1 0 234.365 0.846 10 0 BCAERO COCCC(=O)NC1(C)CCC([NH3+])CC1 ZINC000685946838 538888132 /nfs/dbraw/zinc/88/81/32/538888132.db2.gz CSAOUARLZWSQNG-UHFFFAOYSA-N 1 0 214.309 0.799 10 0 BCAERO CC(C)S(=O)(=O)NC1CCC(C)([NH3+])CC1 ZINC000685946850 538888366 /nfs/dbraw/zinc/88/83/66/538888366.db2.gz CYTJRAJJVGHABU-UHFFFAOYSA-N 1 0 234.365 0.974 10 0 BCAERO CCS(=O)(=O)N[C@@H]1CCCC12CC[NH2+]CC2 ZINC000685946461 538888449 /nfs/dbraw/zinc/88/84/49/538888449.db2.gz AGYKHGSAZDGBTA-SNVBAGLBSA-N 1 0 246.376 0.848 10 0 BCAERO CC(C)(C)OC(=O)N1CCC(=O)[C@H]2C[NH2+]C[C@H]21 ZINC000685947425 538889092 /nfs/dbraw/zinc/88/90/92/538889092.db2.gz KHDBDPWSABLFMH-DTWKUNHWSA-N 1 0 240.303 0.784 10 0 BCAERO COCCNC(=O)N1CCCC[C@@H](C[NH3+])C1 ZINC000685947826 538889535 /nfs/dbraw/zinc/88/95/35/538889535.db2.gz RJRVGCNQWLMLGG-JTQLQIEISA-N 1 0 229.324 0.403 10 0 BCAERO CCCNC(=O)NC[C@@]12CC[C@H]1CC[NH2+]2 ZINC000685947778 538889756 /nfs/dbraw/zinc/88/97/56/538889756.db2.gz ZYAPAFWWAYQLGY-ONGXEEELSA-N 1 0 211.309 0.838 10 0 BCAERO COCCC(=O)N1CCCC2(C[NH2+]C2)C1 ZINC000685947925 538889784 /nfs/dbraw/zinc/88/97/84/538889784.db2.gz UDTSMLLHIXRENO-UHFFFAOYSA-N 1 0 212.293 0.235 10 0 BCAERO CCNC(=O)[C@@]1(F)C[NH2+]CC12CCC2 ZINC000685948196 538890122 /nfs/dbraw/zinc/89/01/22/538890122.db2.gz AEMLMFRZYCOCCU-JTQLQIEISA-N 1 0 200.257 0.604 10 0 BCAERO CCNC(=O)[C@]1(F)C[NH2+]CC12CCC2 ZINC000685948197 538890292 /nfs/dbraw/zinc/89/02/92/538890292.db2.gz AEMLMFRZYCOCCU-SNVBAGLBSA-N 1 0 200.257 0.604 10 0 BCAERO OCCN1CC[NH+]([C@@H]2CC[C@@H]3CC[C@H]32)CC1 ZINC000685948572 538890984 /nfs/dbraw/zinc/89/09/84/538890984.db2.gz QKHBKUOWEQONDO-YNEHKIRRSA-N 1 0 224.348 0.785 10 0 BCAERO CCS(=O)(=O)N1CC[C@]2([NH3+])CCCC[C@@H]12 ZINC000685948645 538891312 /nfs/dbraw/zinc/89/13/12/538891312.db2.gz DATDHIQRAJGWGO-NXEZZACHSA-N 1 0 232.349 0.682 10 0 BCAERO O=C(C1CCC1)N1CC2(C[NH2+]C2)C(F)(F)C1 ZINC000685948706 538891488 /nfs/dbraw/zinc/89/14/88/538891488.db2.gz DQGCZNYYCZKZKY-UHFFFAOYSA-N 1 0 230.258 0.854 10 0 BCAERO CCS(=O)(=O)N[C@@]12CC[NH2+][C@@H]1CCCC2 ZINC000685948810 538891736 /nfs/dbraw/zinc/89/17/36/538891736.db2.gz GCBHTMYZWGVKDY-ZJUUUORDSA-N 1 0 232.349 0.600 10 0 BCAERO CC[NH2+]CC1(O)CCC2(CC1)OCCO2 ZINC000685948909 538891817 /nfs/dbraw/zinc/89/18/17/538891817.db2.gz GEAZDUUXWNELKG-UHFFFAOYSA-N 1 0 215.293 0.644 10 0 BCAERO CC(C)(C)OC(=O)N1CC[C@@H]1C[C@@H](O)C[NH3+] ZINC000685948921 538891854 /nfs/dbraw/zinc/89/18/54/538891854.db2.gz WZHDLBTXZOICKW-RKDXNWHRSA-N 1 0 230.308 0.706 10 0 BCAERO CCC(=O)N1CC2(C1)C[NH2+]CC2(F)F ZINC000685949044 538891908 /nfs/dbraw/zinc/89/19/08/538891908.db2.gz JHCWHYHGMSIPAZ-UHFFFAOYSA-N 1 0 204.220 0.464 10 0 BCAERO COCCC(=O)N[C@@]12CC[NH2+][C@H]1CCCC2 ZINC000685949529 538892618 /nfs/dbraw/zinc/89/26/18/538892618.db2.gz SUCBQTOCNKUNIT-JQWIXIFHSA-N 1 0 226.320 0.814 10 0 BCAERO [NH3+][C@@H]1C[C@@H](N2CCOCC2)C12CCOCC2 ZINC000685949194 538892699 /nfs/dbraw/zinc/89/26/99/538892699.db2.gz LQCHJNXEWSMWIL-GHMZBOCLSA-N 1 0 226.320 0.215 10 0 BCAERO O=C1CC2(CC[NH2+]CC2)n2ccnc2N1 ZINC000685949910 538892935 /nfs/dbraw/zinc/89/29/35/538892935.db2.gz VUYZXIUZAOHMRA-UHFFFAOYSA-N 1 0 206.249 0.304 10 0 BCAERO C[NH+](C)C[C@@H]1Cn2c(nnc2C2CC2)CN1 ZINC000685949789 538893173 /nfs/dbraw/zinc/89/31/73/538893173.db2.gz UIKVNIGGZQYNAY-SECBINFHSA-N 1 0 221.308 0.189 10 0 BCAERO c1ncc(-c2cnnn2[C@@H]2CC[NH2+]C2)s1 ZINC000685951682 538894912 /nfs/dbraw/zinc/89/49/12/538894912.db2.gz FSIAZCHATOIQBE-SSDOTTSWSA-N 1 0 221.289 0.936 10 0 BCAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C(C)(C)O ZINC000233490261 357725874 /nfs/dbraw/zinc/72/58/74/357725874.db2.gz IQLWERNGLJSGML-SNVBAGLBSA-N 1 0 228.336 0.700 10 0 BCAERO CCC(CC)NC(=O)[C@H](C)N1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000232885979 357686327 /nfs/dbraw/zinc/68/63/27/357686327.db2.gz GCXSOCWKQAQVJQ-SCVCMEIPSA-N 1 0 241.379 0.959 10 0 BCAERO CCCCNC(=O)[C@H](C)N1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000232975706 357695631 /nfs/dbraw/zinc/69/56/31/357695631.db2.gz FRLHAZOOFGFUGC-VWYCJHECSA-N 1 0 227.352 0.570 10 0 BCAERO C[C@H]1OCCC[C@H]1C(=O)NCC[NH+](C)C ZINC000190330894 357701272 /nfs/dbraw/zinc/70/12/72/357701272.db2.gz ICLGGZDUKLFXIO-NXEZZACHSA-N 1 0 214.309 0.479 10 0 BCAERO COc1ccc(C[NH2+][C@H]2CCOC[C@@H]2O)cc1 ZINC000623763905 357755661 /nfs/dbraw/zinc/75/56/61/357755661.db2.gz VTIPWEGQPQYGPY-STQMWFEESA-N 1 0 237.299 0.935 10 0 BCAERO CN1CCO[C@H](C[NH2+]C2CCC(O)CC2)C1 ZINC000234320482 357801347 /nfs/dbraw/zinc/80/13/47/357801347.db2.gz MOVRBSNNKDLBJR-HTAVTVPLSA-N 1 0 228.336 0.210 10 0 BCAERO C[C@@H]1CN(C(=O)Cc2cccnc2)C[C@H]1[NH3+] ZINC000235338878 357865817 /nfs/dbraw/zinc/86/58/17/357865817.db2.gz IISANYJUYADFBN-MWLCHTKSSA-N 1 0 219.288 0.430 10 0 BCAERO C[C@@H]1CN(C(=O)c2cccc(=O)[nH]2)C[C@@H]1[NH+](C)C ZINC000235360400 357867281 /nfs/dbraw/zinc/86/72/81/357867281.db2.gz YSHSPZJNPSZSPX-KOLCDFICSA-N 1 0 249.314 0.397 10 0 BCAERO Cc1ncccc1C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000235370834 357867779 /nfs/dbraw/zinc/86/77/79/357867779.db2.gz OYVGWASGNSVPLU-LDYMZIIASA-N 1 0 219.288 0.809 10 0 BCAERO CC[N@@H+]1CCC[C@H]1CN(C)CCOCCO ZINC000086189608 357872256 /nfs/dbraw/zinc/87/22/56/357872256.db2.gz WXLDYLLMSYDPOB-LBPRGKRZSA-N 1 0 230.352 0.411 10 0 BCAERO OCC1(C[N@@H+]2C[C@@H]3CC[C@@H](O)C[C@@H]3C2)COC1 ZINC000398769334 357882120 /nfs/dbraw/zinc/88/21/20/357882120.db2.gz GGPYYCOFMSSCPY-QJPTWQEYSA-N 1 0 241.331 0.088 10 0 BCAERO C[C@@H](O)C[C@H](C)CNC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000398621187 357888236 /nfs/dbraw/zinc/88/82/36/357888236.db2.gz GQQCAFOUBFSROL-LNFKQOIKSA-N 1 0 228.336 0.365 10 0 BCAERO Cc1ncccc1C(=O)N1C[C@H](C)[C@H]([NH3+])C1 ZINC000235669052 357926974 /nfs/dbraw/zinc/92/69/74/357926974.db2.gz OYVGWASGNSVPLU-GZMMTYOYSA-N 1 0 219.288 0.809 10 0 BCAERO C[C@H]1CN(C(=O)c2cccc(=O)[nH]2)C[C@H]1[NH+](C)C ZINC000235654712 357927104 /nfs/dbraw/zinc/92/71/04/357927104.db2.gz YSHSPZJNPSZSPX-GXSJLCMTSA-N 1 0 249.314 0.397 10 0 BCAERO C[C@@H]1C[C@H](O)CC[N@@H+]1CC(=O)NCC1CC1 ZINC000639939334 357946728 /nfs/dbraw/zinc/94/67/28/357946728.db2.gz CSAHTTNYHHHFOU-MWLCHTKSSA-N 1 0 226.320 0.358 10 0 BCAERO CC(C)S(=O)(=O)N1CC[C@@H]([NH3+])C[C@@H]1C ZINC000168903431 357997890 /nfs/dbraw/zinc/99/78/90/357997890.db2.gz ZDSLRUWQPNJZNO-DTWKUNHWSA-N 1 0 220.338 0.536 10 0 BCAERO COC[C@](C)(CO)[NH2+]C[C@@H](O)COC(C)(C)C ZINC000639950947 357972887 /nfs/dbraw/zinc/97/28/87/357972887.db2.gz DGBKYSRNEJNYCF-PWSUYJOCSA-N 1 0 249.351 0.149 10 0 BCAERO C[C@@]1(C(=O)Cc2ccoc2)COC[C@H]1[NH3+] ZINC000168947209 357999450 /nfs/dbraw/zinc/99/94/50/357999450.db2.gz XAJIPBCAKZFSIN-MWLCHTKSSA-N 1 0 209.245 0.755 10 0 BCAERO COC[C@](C)(CO)[NH2+]C[C@H]1CCC[C@@H](O)C1 ZINC000639957343 357980745 /nfs/dbraw/zinc/98/07/45/357980745.db2.gz MCHBGISVTJXBBL-TUAOUCFPSA-N 1 0 231.336 0.525 10 0 BCAERO COC[C@](C)(CO)[NH2+]C[C@@H]1CCCN1C ZINC000639956961 357980906 /nfs/dbraw/zinc/98/09/06/357980906.db2.gz HMVZDHLUTZPZAK-QWRGUYRKSA-N 1 0 216.325 0.068 10 0 BCAERO C[C@]1(C(=O)Cc2ccoc2)COC[C@@H]1[NH3+] ZINC000168946972 357999350 /nfs/dbraw/zinc/99/93/50/357999350.db2.gz XAJIPBCAKZFSIN-ONGXEEELSA-N 1 0 209.245 0.755 10 0 BCAERO C[C@@H](CO)[NH2+]CC(=O)NCc1ccccc1 ZINC000035604865 358005260 /nfs/dbraw/zinc/00/52/60/358005260.db2.gz WNFUACVQOWOXGC-JTQLQIEISA-N 1 0 222.288 0.273 10 0 BCAERO C[NH2+][C@H](C)C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000219941642 358010596 /nfs/dbraw/zinc/01/05/96/358010596.db2.gz LMKMHXWCPXBZFL-RKDXNWHRSA-N 1 0 213.325 0.193 10 0 BCAERO CC[C@]1(O)CCC[N@H+](CC(C)(C)O)C1 ZINC000640034154 358126952 /nfs/dbraw/zinc/12/69/52/358126952.db2.gz YTSXZXUQSDNXMC-NSHDSACASA-N 1 0 201.310 0.994 10 0 BCAERO C[NH2+]C[C@H]1C[C@H](F)CN1Cc1ncccn1 ZINC000396479521 491123240 /nfs/dbraw/zinc/12/32/40/491123240.db2.gz WTMOVJCGRWAXNV-VHSXEESVSA-N 1 0 224.283 0.608 10 0 BCAERO CO[C@@H](C)CNC(=O)[C@H]1CCC[NH2+]C1 ZINC000223716571 358230267 /nfs/dbraw/zinc/23/02/67/358230267.db2.gz RFNVVHDZPRHIMP-IUCAKERBSA-N 1 0 200.282 0.137 10 0 BCAERO COC[C@H]([NH3+])C(=O)NCC[C@H]1CCCCO1 ZINC000224083919 358231187 /nfs/dbraw/zinc/23/11/87/358231187.db2.gz XUFKHUSVZYKVOD-ZJUUUORDSA-N 1 0 230.308 0.036 10 0 BCAERO NC(=O)c1ccc(CO[C@H]2CC[NH2+]C2)cc1 ZINC000051782474 181295938 /nfs/dbraw/zinc/29/59/38/181295938.db2.gz ASGKLRIQIQBEJA-NSHDSACASA-N 1 0 220.272 0.664 10 0 BCAERO CO[C@H]1C[NH2+][C@@H](C(=O)N2CCOC(C)(C)C2)C1 ZINC000040632392 358244041 /nfs/dbraw/zinc/24/40/41/358244041.db2.gz VIPYYLAKJUMQNA-NXEZZACHSA-N 1 0 242.319 0.001 10 0 BCAERO CC[C@@H]([NH3+])C(=O)N1CCC([C@@H](C)O)CC1 ZINC000225285178 358247594 /nfs/dbraw/zinc/24/75/94/358247594.db2.gz PPJXOJHDBRITNW-PSASIEDQSA-N 1 0 214.309 0.343 10 0 BCAERO COc1cc(C(=O)NC2C[NH2+]C2)ccc1C ZINC000085256056 134265012 /nfs/dbraw/zinc/26/50/12/134265012.db2.gz DZBLIAKVMKYTML-UHFFFAOYSA-N 1 0 220.272 0.705 10 0 BCAERO O=C(Cc1ccccc1Cl)NC1C[NH2+]C1 ZINC000085256120 134265068 /nfs/dbraw/zinc/26/50/68/134265068.db2.gz QYXRKYGPQLSCPK-UHFFFAOYSA-N 1 0 224.691 0.971 10 0 BCAERO CCOCCO[C@@H]1C[C@@H](C[NH+](C)C)C[C@@H]1CO ZINC000584603286 358261966 /nfs/dbraw/zinc/26/19/66/358261966.db2.gz PZQVZOIIYHQBIL-YNEHKIRRSA-N 1 0 245.363 0.988 10 0 BCAERO C[C@@H](O)CCSC[C@H]1C[NH2+]C[C@@H]1O ZINC000584608984 358269803 /nfs/dbraw/zinc/26/98/03/358269803.db2.gz PEDCWOGHSGEIOQ-HLTSFMKQSA-N 1 0 205.323 0.071 10 0 BCAERO CON(C)C(=O)[C@H](C)[NH+]1CCCCC1 ZINC000584610829 358274483 /nfs/dbraw/zinc/27/44/83/358274483.db2.gz AZBJLSJQVURAQJ-VIFPVBQESA-N 1 0 200.282 0.881 10 0 BCAERO C[C@H]1Cn2ncc(N3CCCC3=O)c2C[NH2+]1 ZINC000584629320 358298564 /nfs/dbraw/zinc/29/85/64/358298564.db2.gz OYSCWRFVVXVQCG-QMMMGPOBSA-N 1 0 220.276 0.502 10 0 BCAERO O=Cc1cccc(C(=O)[C@@H]2[NH2+]CC[C@H]2O)c1 ZINC000584630051 358299627 /nfs/dbraw/zinc/29/96/27/358299627.db2.gz YXPGYHJSAHADRF-GHMZBOCLSA-N 1 0 219.240 0.405 10 0 BCAERO CO[C@H]1CCN(c2cnn3c2C[NH2+]CC3)C1 ZINC000584648111 358302710 /nfs/dbraw/zinc/30/27/10/358302710.db2.gz ASNODJJPDREDGQ-VIFPVBQESA-N 1 0 222.292 0.211 10 0 BCAERO OCC1(CNCC(F)(F)F)CC[NH2+]CC1 ZINC000584636825 358321582 /nfs/dbraw/zinc/32/15/82/358321582.db2.gz GHXQMDQJVTUISM-UHFFFAOYSA-N 1 0 226.242 0.500 10 0 BCAERO CCCCOC[C@@H](O)C[NH2+]C[C@@H]1CCCN1C ZINC000226046467 358333129 /nfs/dbraw/zinc/33/31/29/358333129.db2.gz SRZMWBVUJQWRGV-STQMWFEESA-N 1 0 244.379 0.848 10 0 BCAERO COC(=O)C[C@H]1CCC2(CC[NH2+]CC2)O1 ZINC000584643035 358328015 /nfs/dbraw/zinc/32/80/15/358328015.db2.gz GNWSHRLXNDEOBN-SECBINFHSA-N 1 0 213.277 0.851 10 0 BCAERO C[C@@H](CO)[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1O ZINC000226237487 358336402 /nfs/dbraw/zinc/33/64/02/358336402.db2.gz NODCZEGACAXGER-LNFKQOIKSA-N 1 0 201.310 0.896 10 0 BCAERO CN(C(=O)N1CCOCC1)[C@H]1CCC[NH2+]CC1 ZINC000226459651 358339922 /nfs/dbraw/zinc/33/99/22/358339922.db2.gz APEZYWJQERTCNO-NSHDSACASA-N 1 0 241.335 0.513 10 0 BCAERO NC(=O)c1ccc(CO[C@@H]2CC[NH2+]C2)cc1 ZINC000051782472 181296859 /nfs/dbraw/zinc/29/68/59/181296859.db2.gz ASGKLRIQIQBEJA-LLVKDONJSA-N 1 0 220.272 0.664 10 0 BCAERO CNC(=O)c1ccc(N[C@H](C)C[C@@H](C)[NH3+])nn1 ZINC000228271276 358372279 /nfs/dbraw/zinc/37/22/79/358372279.db2.gz CHRXOZZUPNQAFJ-HTQZYQBOSA-N 1 0 237.307 0.374 10 0 BCAERO CC[N@@H+]1CCC[C@@H](NC(=O)c2cnc(N)cn2)C1 ZINC000228576520 358379988 /nfs/dbraw/zinc/37/99/88/358379988.db2.gz QPPKGGVZQCAFSR-SECBINFHSA-N 1 0 249.318 0.273 10 0 BCAERO Cn1nnnc1N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000227725455 358361910 /nfs/dbraw/zinc/36/19/10/358361910.db2.gz HYFCORDUBKHPRP-NSHDSACASA-N 1 0 244.302 0.273 10 0 BCAERO CC(C)(O)C[NH2+]C[C@@H]1CCC[C@@H](O)C1 ZINC000227738284 358362924 /nfs/dbraw/zinc/36/29/24/358362924.db2.gz YSOLHOXGAPXHPV-NXEZZACHSA-N 1 0 201.310 0.898 10 0 BCAERO CC(C)(O)C[NH2+]C[C@H]1CCC[C@@H](O)C1 ZINC000227738291 358363245 /nfs/dbraw/zinc/36/32/45/358363245.db2.gz YSOLHOXGAPXHPV-VHSXEESVSA-N 1 0 201.310 0.898 10 0 BCAERO CCCCOC[C@H](O)C[NH2+]C1CCN(C)CC1 ZINC000227888698 358365154 /nfs/dbraw/zinc/36/51/54/358365154.db2.gz FWSNHLXEDDFSTE-CYBMUJFWSA-N 1 0 244.379 0.848 10 0 BCAERO CCCCOC[C@@H](O)C[NH2+]CCC(=O)N(C)C ZINC000227891355 358365204 /nfs/dbraw/zinc/36/52/04/358365204.db2.gz GPKFBARZTROKRB-NSHDSACASA-N 1 0 246.351 0.232 10 0 BCAERO CCCCOC[C@@H](O)C[NH2+][C@@H](C)CN(C)C ZINC000227895324 358366076 /nfs/dbraw/zinc/36/60/76/358366076.db2.gz XHAARWNOZMQEBZ-RYUDHWBXSA-N 1 0 232.368 0.704 10 0 BCAERO CCCCOC[C@@H](O)C[NH2+]C[C@H](O)C(C)C ZINC000227896874 358366095 /nfs/dbraw/zinc/36/60/95/358366095.db2.gz NELOMDRPHXCCAW-RYUDHWBXSA-N 1 0 233.352 0.771 10 0 BCAERO C[C@@H](NC(=O)[C@@H]1CC[NH2+]C1)c1cn[nH]c1 ZINC000229705872 358406801 /nfs/dbraw/zinc/40/68/01/358406801.db2.gz CEOMQQWASZAINF-HTQZYQBOSA-N 1 0 208.265 0.196 10 0 BCAERO c1nc2ncnc(NCC3CC[NH2+]CC3)c2[nH]1 ZINC000044509257 358388725 /nfs/dbraw/zinc/38/87/25/358388725.db2.gz JWZJNYOKGWLKTH-UHFFFAOYSA-N 1 0 232.291 0.764 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)NCc1cc(C)on1 ZINC000044727166 358393209 /nfs/dbraw/zinc/39/32/09/358393209.db2.gz WZQVYVIGVKCVEQ-SECBINFHSA-N 1 0 211.265 0.727 10 0 BCAERO OCCCSCC[NH2+][C@@H]1CCCC[C@H]1O ZINC000230789831 358410972 /nfs/dbraw/zinc/41/09/72/358410972.db2.gz ZRPZVZPAFCWWFY-GHMZBOCLSA-N 1 0 233.377 0.995 10 0 BCAERO CNC(=O)C(C)(C)CNC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000230393926 358398702 /nfs/dbraw/zinc/39/87/02/358398702.db2.gz AQITZEXVTOQYNI-IUCAKERBSA-N 1 0 241.335 0.002 10 0 BCAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H](C)[NH2+]C ZINC000086188891 358442708 /nfs/dbraw/zinc/44/27/08/358442708.db2.gz YXKVOCIHHPFKTM-GHMZBOCLSA-N 1 0 227.352 0.537 10 0 BCAERO CC(C)[C@H](CCO)NC(=O)C[C@H]1CCC[NH2+]C1 ZINC000231080807 358414110 /nfs/dbraw/zinc/41/41/10/358414110.db2.gz TTWGGJJABUYCBB-NEPJUHHUSA-N 1 0 242.363 0.899 10 0 BCAERO CCCCOC[C@H](O)C[NH2+][C@@H]1CCC[C@@H]1CO ZINC000231306479 358416910 /nfs/dbraw/zinc/41/69/10/358416910.db2.gz XQBHISQGNKRVDY-JHJVBQTASA-N 1 0 245.363 0.915 10 0 BCAERO CO[C@H](C)CNC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000299892658 358420327 /nfs/dbraw/zinc/42/03/27/358420327.db2.gz CAUVATWHMSVIPD-HLTSFMKQSA-N 1 0 200.282 0.265 10 0 BCAERO CCOC(=O)CC[C@H](O)C[NH2+][C@@H]1CCO[C@H]1C ZINC000385490517 358441907 /nfs/dbraw/zinc/44/19/07/358441907.db2.gz DBJGCESHFFCUHT-GARJFASQSA-N 1 0 245.319 0.458 10 0 BCAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CCOCCO ZINC000175051461 134284404 /nfs/dbraw/zinc/28/44/04/134284404.db2.gz JPTNAFRDUFIVQA-CHWSQXEVSA-N 1 0 242.363 0.554 10 0 BCAERO CCCC[C@H](C[NH3+])Nc1ccc(C(N)=O)nn1 ZINC000130563764 358631678 /nfs/dbraw/zinc/63/16/78/358631678.db2.gz XKQDVBHLRWQNMK-MRVPVSSYSA-N 1 0 237.307 0.505 10 0 BCAERO CCCNC(=O)[C@H](C)[NH2+][C@H]1CCC(=O)N[C@H]1C ZINC000393002374 259480804 /nfs/dbraw/zinc/48/08/04/259480804.db2.gz LUNNNHRKNSKASC-GUBZILKMSA-N 1 0 241.335 0.158 10 0 BCAERO C[NH+](C)CC(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000131927309 358701458 /nfs/dbraw/zinc/70/14/58/358701458.db2.gz RZVVQERASVNTSN-UHFFFAOYSA-N 1 0 236.319 0.677 10 0 BCAERO C[C@@H]1CN(C(=O)[C@@]2(C)CC[NH2+]C2)C[C@@H](C)O1 ZINC000219811372 134292455 /nfs/dbraw/zinc/29/24/55/134292455.db2.gz DNMYJXDOOJFTLD-FOGDFJRCSA-N 1 0 226.320 0.622 10 0 BCAERO C[C@H]1OCC[C@H]1[NH2+]CC(=O)N1CCCCC1 ZINC000133976391 358774113 /nfs/dbraw/zinc/77/41/13/358774113.db2.gz CJOXAXXCQNELBE-GHMZBOCLSA-N 1 0 226.320 0.766 10 0 BCAERO CC(=S)OC[C@@]1(O)C[NH+]2CCC1CC2 ZINC000214465218 358786266 /nfs/dbraw/zinc/78/62/66/358786266.db2.gz NDAMJSWARUCZNR-JTQLQIEISA-N 1 0 215.318 0.807 10 0 BCAERO CC(C)CNC(=O)C[N@@H+]1CCC[C@H]1CCCO ZINC000052762284 358792590 /nfs/dbraw/zinc/79/25/90/358792590.db2.gz AYWRNFFPYOOEPG-LBPRGKRZSA-N 1 0 242.363 0.996 10 0 BCAERO O=C(C[N@H+]1CCC[C@@H]1CCCO)N1CCCC1 ZINC000052762291 358792771 /nfs/dbraw/zinc/79/27/71/358792771.db2.gz SODSXVZHGHYYPH-GFCCVEGCSA-N 1 0 240.347 0.846 10 0 BCAERO CC(C)CNC(=O)[C@H](C)[NH2+][C@H]1CCO[C@@H]1C ZINC000134543362 358794254 /nfs/dbraw/zinc/79/42/54/358794254.db2.gz JHAAMIHBLWWBNN-AXFHLTTASA-N 1 0 228.336 0.914 10 0 BCAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)NC ZINC000136075591 358862157 /nfs/dbraw/zinc/86/21/57/358862157.db2.gz BYHCOTSUQUTXTM-GHMZBOCLSA-N 1 0 225.336 0.291 10 0 BCAERO Fc1cccnc1NCCCN1CC[NH2+]CC1 ZINC000054701003 358872764 /nfs/dbraw/zinc/87/27/64/358872764.db2.gz PHMLGEOTKXYJSW-UHFFFAOYSA-N 1 0 238.310 0.928 10 0 BCAERO C[C@@H](O)[C@H](C)Sc1cc[nH+]c(NN)n1 ZINC000300340029 358962581 /nfs/dbraw/zinc/96/25/81/358962581.db2.gz OMQGHOGKJQDCLW-RITPCOANSA-N 1 0 214.294 0.624 10 0 BCAERO C[C@H](O)CC[N@@H+]1CCCN(C)C[C@H]1C ZINC000300357027 358970837 /nfs/dbraw/zinc/97/08/37/358970837.db2.gz UDTDMODAYODPQD-MNOVXSKESA-N 1 0 200.326 0.783 10 0 BCAERO C[C@H]1CN(C)CC[N@@H+]1C[C@H]1CCCC1=O ZINC000300355365 358971435 /nfs/dbraw/zinc/97/14/35/358971435.db2.gz OBHCLYGDVLUGLA-WDEREUQCSA-N 1 0 210.321 0.992 10 0 BCAERO C[C@@H](Cn1c(=O)cc(Cl)[nH]c1=O)[NH+](C)C ZINC000160840573 358956757 /nfs/dbraw/zinc/95/67/57/358956757.db2.gz KVJZDZIVGNXDOK-LURJTMIESA-N 1 0 231.683 0.140 10 0 BCAERO [NH3+]CC=CC(=O)Nc1n[nH]cc1Br ZINC000306199903 359027281 /nfs/dbraw/zinc/02/72/81/359027281.db2.gz NYEIIGAXXVWVKZ-OWOJBTEDSA-N 1 0 245.080 0.626 10 0 BCAERO [NH3+]C[C@H](O)Cc1ccc(Br)cn1 ZINC000160876905 358982417 /nfs/dbraw/zinc/98/24/17/358982417.db2.gz ALUHTRZITYKEKH-MRVPVSSYSA-N 1 0 231.093 0.706 10 0 BCAERO COc1ncc([C@@H]2OCC[C@@H]2[NH3+])s1 ZINC000306177915 358988595 /nfs/dbraw/zinc/98/85/95/358988595.db2.gz XYQSHZKTFMCLNR-CAHLUQPWSA-N 1 0 200.263 0.940 10 0 BCAERO CNC(=O)[C@]1(C)CC[N@@H+]([C@H](C)C(C)=O)C1 ZINC000300400312 358989917 /nfs/dbraw/zinc/98/99/17/358989917.db2.gz WEVZURSWCQHZRE-LDYMZIIASA-N 1 0 212.293 0.422 10 0 BCAERO CN1CC[C@H]([NH2+]CC2OCCCO2)C1 ZINC000306178676 358991664 /nfs/dbraw/zinc/99/16/64/358991664.db2.gz HNDRJOAONKVUIV-VIFPVBQESA-N 1 0 200.282 0.043 10 0 BCAERO CCOCC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000070266285 359047786 /nfs/dbraw/zinc/04/77/86/359047786.db2.gz MNVYBKGOSXZOTB-LLVKDONJSA-N 1 0 226.320 0.720 10 0 BCAERO NC(=O)c1ccc(N[C@@H]2CC[NH2+]C2)c(F)c1 ZINC000052093944 181299673 /nfs/dbraw/zinc/29/96/73/181299673.db2.gz JQIPIBPUZAAFEJ-MRVPVSSYSA-N 1 0 223.251 0.698 10 0 BCAERO COCCOCCN1CC[N@@H+]2CCCC[C@H]2C1 ZINC000246419779 359079496 /nfs/dbraw/zinc/07/94/96/359079496.db2.gz BUUARJOKMKHSNO-ZDUSSCGKSA-N 1 0 242.363 0.820 10 0 BCAERO Cc1cc(CN2CC[C@H]3OCC[NH2+][C@@H]3C2)on1 ZINC000404181303 359090913 /nfs/dbraw/zinc/09/09/13/359090913.db2.gz IBBSMFXDMYVBLX-VXGBXAGGSA-N 1 0 237.303 0.546 10 0 BCAERO Cc1nnc2c(NCC[C@H](C)[NH3+])nccn12 ZINC000070616661 359060432 /nfs/dbraw/zinc/06/04/32/359060432.db2.gz APDOFYMBYDNUNI-ZETCQYMHSA-N 1 0 220.280 0.582 10 0 BCAERO CC[C@H]([NH3+])CNc1nccn2c(C)nnc12 ZINC000070616678 359060728 /nfs/dbraw/zinc/06/07/28/359060728.db2.gz QFPCCFYFNRXVJO-QMMMGPOBSA-N 1 0 220.280 0.582 10 0 BCAERO CCNS(=O)(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000246982210 359180386 /nfs/dbraw/zinc/18/03/86/359180386.db2.gz MQDOTOIAZKECGG-NXEZZACHSA-N 1 0 249.380 0.159 10 0 BCAERO CCc1nnc(CN2CC[N@@H+]3CCC[C@H]3C2)o1 ZINC000247017686 359183974 /nfs/dbraw/zinc/18/39/74/359183974.db2.gz CMUJKNZZUUCKFL-JTQLQIEISA-N 1 0 236.319 0.912 10 0 BCAERO COCCC[N@@H+]1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000247022319 359185559 /nfs/dbraw/zinc/18/55/59/359185559.db2.gz CTUNWCAHWXAHLJ-RYUDHWBXSA-N 1 0 230.352 0.410 10 0 BCAERO C[C@@H]1C[N@H+](CC(C)(C)O)C[C@H]1N1CCOCC1 ZINC000246525294 359143462 /nfs/dbraw/zinc/14/34/62/359143462.db2.gz ROMMKSYBPUADKP-VXGBXAGGSA-N 1 0 242.363 0.410 10 0 BCAERO COCCCC[N@@H+]1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000246791998 359164767 /nfs/dbraw/zinc/16/47/67/359164767.db2.gz XQWJBXKCYMWVDU-OLZOCXBDSA-N 1 0 244.379 0.800 10 0 BCAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC ZINC000246819620 359168013 /nfs/dbraw/zinc/16/80/13/359168013.db2.gz XBHALYOBCWVPGX-ZJUUUORDSA-N 1 0 211.309 0.884 10 0 BCAERO CC[C@H](O)C[N@@H+]1CCN(CCOC)[C@@H](CC)C1 ZINC000247583468 359236509 /nfs/dbraw/zinc/23/65/09/359236509.db2.gz ISERSLIZGHARBP-STQMWFEESA-N 1 0 244.379 0.800 10 0 BCAERO CC(C)[N@@H+]1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000247200078 359200761 /nfs/dbraw/zinc/20/07/61/359200761.db2.gz OWJSEFXGWDKOJW-QWRGUYRKSA-N 1 0 200.326 0.782 10 0 BCAERO CC[C@@H](C(=O)OC)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000247230223 359202718 /nfs/dbraw/zinc/20/27/18/359202718.db2.gz RHTSHUGEYNBQGD-QWRGUYRKSA-N 1 0 244.335 0.200 10 0 BCAERO C[C@H](C(=O)N(C)C)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000247248465 359205385 /nfs/dbraw/zinc/20/53/85/359205385.db2.gz SYQFRBMFWZVOKE-MNOVXSKESA-N 1 0 225.336 0.243 10 0 BCAERO CC[C@H]1CN(CCOC)CC[N@@H+]1C[C@H](C)O ZINC000247437362 359220877 /nfs/dbraw/zinc/22/08/77/359220877.db2.gz ZJRCEMPGYKPRMK-RYUDHWBXSA-N 1 0 230.352 0.410 10 0 BCAERO C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NC(=O)C(F)F ZINC000306201139 359290324 /nfs/dbraw/zinc/29/03/24/359290324.db2.gz KKHYISODABXDAD-DSYKOEDSSA-N 1 0 206.236 0.754 10 0 BCAERO CC(C)[C@H]([NH3+])[C@@H]1CCS(=O)(=O)[C@@H]1C ZINC000306206735 359298326 /nfs/dbraw/zinc/29/83/26/359298326.db2.gz VKXBMLQDYZDLMF-HLTSFMKQSA-N 1 0 205.323 0.793 10 0 BCAERO CC(C)[C@H]([NH3+])[C@@H]1CCS(=O)(=O)[C@H]1C ZINC000306206737 359298384 /nfs/dbraw/zinc/29/83/84/359298384.db2.gz VKXBMLQDYZDLMF-YIZRAAEISA-N 1 0 205.323 0.793 10 0 BCAERO CNC(=S)N(C)[C@H]1C[NH+]2CCC1CC2 ZINC000306213498 359307333 /nfs/dbraw/zinc/30/73/33/359307333.db2.gz XGHHXHMVVJAVOH-VIFPVBQESA-N 1 0 213.350 0.517 10 0 BCAERO [NH3+]Cc1nccc(Sc2ncc[nH]2)n1 ZINC000306212759 359308703 /nfs/dbraw/zinc/30/87/03/359308703.db2.gz WCZGQQGVFUVWGI-UHFFFAOYSA-N 1 0 207.262 0.810 10 0 BCAERO CC(C)COCCN1CC[C@H]2OCC[NH2+][C@H]2C1 ZINC000404225191 359310256 /nfs/dbraw/zinc/31/02/56/359310256.db2.gz NEHKTQVFCHSXLK-QWHCGFSZSA-N 1 0 242.363 0.722 10 0 BCAERO COC[C@H](C)[NH2+]Cc1cc(=O)c(O)co1 ZINC000308904103 491139999 /nfs/dbraw/zinc/13/99/99/491139999.db2.gz CCEBHZDXJXDWOB-ZETCQYMHSA-N 1 0 213.233 0.470 10 0 BCAERO C[C@@H]1OCC[C@@H]1[S@@](=O)C[C@@H]1CCC[NH2+]1 ZINC000306230238 359365123 /nfs/dbraw/zinc/36/51/23/359365123.db2.gz ZBASWFBPKYOZJD-QSDJMHMYSA-N 1 0 217.334 0.665 10 0 BCAERO CCN(C)C(=O)N1CC[C@H]2OCC[NH2+][C@@H]2C1 ZINC000404241951 359371086 /nfs/dbraw/zinc/37/10/86/359371086.db2.gz XTADXYQDVGQPFK-NXEZZACHSA-N 1 0 227.308 0.121 10 0 BCAERO [NH3+][C@@H]1[C@@H]2CCO[C@H]2[C@H]1Nc1nncs1 ZINC000249023313 359328383 /nfs/dbraw/zinc/32/83/83/359328383.db2.gz URSKOWXTTVGWIZ-BNHYGAARSA-N 1 0 212.278 0.065 10 0 BCAERO C[C@H]1SCCN(C(=O)[C@@H]2CC[NH2+]C2)[C@H]1C ZINC000158359370 359334772 /nfs/dbraw/zinc/33/47/72/359334772.db2.gz CRIUFEIQKIUIED-IVZWLZJFSA-N 1 0 228.361 0.948 10 0 BCAERO C[NH2+]C[C@]1(O)CCO[C@@H](C(F)(F)F)C1 ZINC000306245278 359428184 /nfs/dbraw/zinc/42/81/84/359428184.db2.gz UZGMIDVETFSDAT-RQJHMYQMSA-N 1 0 213.199 0.678 10 0 BCAERO CCNC(=S)N[C@H]1C[N@H+](C)C[C@H]1C ZINC000306247749 359433577 /nfs/dbraw/zinc/43/35/77/359433577.db2.gz WHNRJBHVFUVBST-SFYZADRCSA-N 1 0 201.339 0.421 10 0 BCAERO O=C1NCCC[C@H]1[NH2+]C[C@H]1CCCS1 ZINC000306234631 359391872 /nfs/dbraw/zinc/39/18/72/359391872.db2.gz GABCBKFRQHSAMC-RKDXNWHRSA-N 1 0 214.334 0.750 10 0 BCAERO [NH3+][C@@H]1CCOC[C@@H]1N1CCC(F)(F)C1 ZINC000306248492 359443717 /nfs/dbraw/zinc/44/37/17/359443717.db2.gz UVHZDBOUXVLAQO-SFYZADRCSA-N 1 0 206.236 0.444 10 0 BCAERO CC[C@H]1CN(C(=O)[C@H]2CC[NH2+]C2)CCS1 ZINC000158370433 359544921 /nfs/dbraw/zinc/54/49/21/359544921.db2.gz AFPUWSMIDFLGKK-UWVGGRQHSA-N 1 0 228.361 0.950 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)NCCCc1ccccn1 ZINC000423775213 192834413 /nfs/dbraw/zinc/83/44/13/192834413.db2.gz OLSVLJPRUBAZRL-DGCLKSJQSA-N 1 0 247.342 0.986 10 0 BCAERO CO[C@H]1COC[C@@H]1[NH2+]C1CCSCC1 ZINC000306309905 359591670 /nfs/dbraw/zinc/59/16/70/359591670.db2.gz LRXCVXSELUVINZ-UWVGGRQHSA-N 1 0 217.334 0.885 10 0 BCAERO CNc1ncnc(NCCF)c1OC ZINC000306309975 359591764 /nfs/dbraw/zinc/59/17/64/359591764.db2.gz LZOWLURCYLGDGM-UHFFFAOYSA-N 1 0 200.217 0.908 10 0 BCAERO CN[C@@]1(C(=O)OC)CC[N@@H+]2CCCC[C@H]21 ZINC000228259569 359592210 /nfs/dbraw/zinc/59/22/10/359592210.db2.gz DTMJTQKCBVEESA-ONGXEEELSA-N 1 0 212.293 0.376 10 0 BCAERO CC[C@H](C)CC(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000424047344 192856033 /nfs/dbraw/zinc/85/60/33/192856033.db2.gz USJOEOPLITWZFV-GARJFASQSA-N 1 0 226.320 0.622 10 0 BCAERO CCCn1cc(C[NH2+][C@@H]2CCOC[C@H]2O)cn1 ZINC000623764874 359632023 /nfs/dbraw/zinc/63/20/23/359632023.db2.gz LFBAFZKVUAFJME-VXGBXAGGSA-N 1 0 239.319 0.533 10 0 BCAERO COC(=O)C(C)(C)NC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089453417 359643587 /nfs/dbraw/zinc/64/35/87/359643587.db2.gz YZYBXAYWGGXZFY-RKDXNWHRSA-N 1 0 242.319 0.429 10 0 BCAERO Cn1ncc(Br)c1C1C[NH2+]C1 ZINC000306349717 359668452 /nfs/dbraw/zinc/66/84/52/359668452.db2.gz MFUDHNBMJZDGMT-UHFFFAOYSA-N 1 0 216.082 0.869 10 0 BCAERO Nc1ncc(Cl)cc1[C@H](O)CC[NH3+] ZINC000130370643 359672029 /nfs/dbraw/zinc/67/20/29/359672029.db2.gz PWMLTOIVSVLSOQ-SSDOTTSWSA-N 1 0 201.657 0.699 10 0 BCAERO CC[NH+](CC)[C@@H](C)CNc1nnnn1C ZINC000309045566 491143344 /nfs/dbraw/zinc/14/33/44/491143344.db2.gz OHMKNZJRRATHDF-QMMMGPOBSA-N 1 0 212.301 0.352 10 0 BCAERO CCN1C[C@H]([NH2+]Cc2cn[nH]c2)[C@@H](C)C1 ZINC000309057292 491143552 /nfs/dbraw/zinc/14/35/52/491143552.db2.gz UZKKMXLYKJIESQ-ONGXEEELSA-N 1 0 208.309 0.840 10 0 BCAERO CN(Cc1cnc(Cl)cn1)C1C[NH2+]C1 ZINC000231293004 359706187 /nfs/dbraw/zinc/70/61/87/359706187.db2.gz AEXAUJPZIGZNJU-UHFFFAOYSA-N 1 0 212.684 0.534 10 0 BCAERO C[NH2+][C@H]1COCCN(C(=O)OC(C)(C)C)C1 ZINC000306374935 359709025 /nfs/dbraw/zinc/70/90/25/359709025.db2.gz LJYIBFMGAGMOCA-SECBINFHSA-N 1 0 230.308 0.842 10 0 BCAERO CNC(=S)N1CC[C@H]([NH+](C)C)[C@H]1C ZINC000306381247 359731216 /nfs/dbraw/zinc/73/12/16/359731216.db2.gz WCOBVDBXPGHMGN-SFYZADRCSA-N 1 0 201.339 0.515 10 0 BCAERO CNC(=O)C[N@@H+]1CCSCC1(C)C ZINC000306380981 359731269 /nfs/dbraw/zinc/73/12/69/359731269.db2.gz ROOICXDRWKIZQE-UHFFFAOYSA-N 1 0 202.323 0.560 10 0 BCAERO C[C@@H]1C[C@@H]1[NH2+][C@@H]1CCS(=O)(=O)[C@H]1C ZINC000306385353 359737593 /nfs/dbraw/zinc/73/75/93/359737593.db2.gz FZKZVCYTXMQHPS-XAVMHZPKSA-N 1 0 203.307 0.560 10 0 BCAERO CS(C)(=O)=NC(=O)[C@H]1CCC[C@@H]1[NH3+] ZINC000306402717 359784302 /nfs/dbraw/zinc/78/43/02/359784302.db2.gz RHICUOVRKNAUMH-BQBZGAKWSA-N 1 0 204.295 0.368 10 0 BCAERO CC(C)[NH2+][C@H]1CCN(S(C)(=O)=O)C[C@H]1C ZINC000309086048 491144257 /nfs/dbraw/zinc/14/42/57/491144257.db2.gz XTFQUDCHFDUQNX-ZJUUUORDSA-N 1 0 234.365 0.654 10 0 BCAERO O=C1NCC[C@@H]1[NH2+][C@@H]1CCC(F)(F)C1 ZINC000306425275 359872138 /nfs/dbraw/zinc/87/21/38/359872138.db2.gz GWNRKBCHQBQYIS-RQJHMYQMSA-N 1 0 204.220 0.652 10 0 BCAERO C[C@@H]1C[C@@H]1C[NH2+]C1CCN(CCO)CC1 ZINC000309131192 491145390 /nfs/dbraw/zinc/14/53/90/491145390.db2.gz RAKKRBWORDSUIM-GHMZBOCLSA-N 1 0 212.337 0.689 10 0 BCAERO O=C(NC[C@@H]1CCCS1)[C@@H]1CC[NH2+]C1 ZINC000087668338 359923052 /nfs/dbraw/zinc/92/30/52/359923052.db2.gz IJLHHXDUSNCODR-BDAKNGLRSA-N 1 0 214.334 0.608 10 0 BCAERO Cn1nccc1[C@@]12CC[N@@H+](C3CC3)C[C@@H]1O2 ZINC000536960524 360014141 /nfs/dbraw/zinc/01/41/41/360014141.db2.gz QZMDRNMVDMUBLK-RYUDHWBXSA-N 1 0 219.288 0.882 10 0 BCAERO C[C@H](CC1CCOCC1)[NH2+][C@@H]1CCNC1=O ZINC000309324889 491147035 /nfs/dbraw/zinc/14/70/35/491147035.db2.gz GFHZOZQIBOBNRU-MWLCHTKSSA-N 1 0 226.320 0.670 10 0 BCAERO C[C@@H]([NH3+])C(=O)NCC(F)(F)Br ZINC000306461986 360072374 /nfs/dbraw/zinc/07/23/74/360072374.db2.gz GOLZFORCBRXCJP-GSVOUGTGSA-N 1 0 231.040 0.438 10 0 BCAERO CC[C@@H](C(N)=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000090824808 360090537 /nfs/dbraw/zinc/09/05/37/360090537.db2.gz CKWOHVXBSFQGAT-MNOVXSKESA-N 1 0 225.336 0.420 10 0 BCAERO O=[S@@]1CCCN(C[C@H]2CCC[NH2+]2)CC1 ZINC000306481889 360144741 /nfs/dbraw/zinc/14/47/41/360144741.db2.gz KFDCGBLCZQQCCP-QMTHXVAHSA-N 1 0 216.350 0.193 10 0 BCAERO C[C@H]1C[C@@](O)(C(N)=O)C[N@@H+]1Cc1ccccc1 ZINC000306482030 360147314 /nfs/dbraw/zinc/14/73/14/360147314.db2.gz KNDKGQZXLRFYLO-GWCFXTLKSA-N 1 0 234.299 0.497 10 0 BCAERO C[C@H]1C[C@](O)(C(N)=O)C[N@@H+]1Cc1ccccc1 ZINC000306482033 360147627 /nfs/dbraw/zinc/14/76/27/360147627.db2.gz KNDKGQZXLRFYLO-GXFFZTMASA-N 1 0 234.299 0.497 10 0 BCAERO [NH3+][C@@H]1CC[C@@H](N2CCC[S@](=O)CC2)C1 ZINC000306490539 360202176 /nfs/dbraw/zinc/20/21/76/360202176.db2.gz VGIZHDBGWVSMDX-RULNRJAQSA-N 1 0 216.350 0.321 10 0 BCAERO O=[S@@]1CCCN([C@@H]2CCC[NH2+]C2)CC1 ZINC000306484708 360160373 /nfs/dbraw/zinc/16/03/73/360160373.db2.gz MSWXCDKZUVKXMM-QMTHXVAHSA-N 1 0 216.350 0.193 10 0 BCAERO CCOC[C@@H](O)CN(C)C[C@H]1CCC[N@@H+]1CC ZINC000092633698 360186441 /nfs/dbraw/zinc/18/64/41/360186441.db2.gz OUXQUEAWODJEDI-OLZOCXBDSA-N 1 0 244.379 0.800 10 0 BCAERO C[NH2+]C[C@@H]1CCN(C)[C@@H]1c1csnn1 ZINC000306496060 360221847 /nfs/dbraw/zinc/22/18/47/360221847.db2.gz WQPAYYIRARKRQA-CBAPKCEASA-N 1 0 212.322 0.750 10 0 BCAERO C[C@H]1CN(CC(C)(C)[NH3+])CC[S@@]1=O ZINC000306496253 360224335 /nfs/dbraw/zinc/22/43/35/360224335.db2.gz DGNKEHLPLGXNQY-SDBXPKJASA-N 1 0 204.339 0.177 10 0 BCAERO NC(=O)c1ccc(O[C@@H]2CC[NH2+]C2)cc1 ZINC000051783810 181300959 /nfs/dbraw/zinc/30/09/59/181300959.db2.gz ZFDHPSTXSHGLLQ-SNVBAGLBSA-N 1 0 206.245 0.526 10 0 BCAERO NC(=O)c1ccc(O[C@H]2CC[NH2+]C2)cc1 ZINC000051783812 181300662 /nfs/dbraw/zinc/30/06/62/181300662.db2.gz ZFDHPSTXSHGLLQ-JTQLQIEISA-N 1 0 206.245 0.526 10 0 BCAERO CS[C@@H]1CCCN(C(=O)[C@@H]2CC[NH2+]2)C1 ZINC000306517411 360344226 /nfs/dbraw/zinc/34/42/26/360344226.db2.gz FVQSCAGRAABRDK-BDAKNGLRSA-N 1 0 214.334 0.702 10 0 BCAERO COC[C@@H]([NH3+])C(=O)Nc1cc(C)ns1 ZINC000306508624 360324913 /nfs/dbraw/zinc/32/49/13/360324913.db2.gz ALWABBXCMSDRIG-ZCFIWIBFSA-N 1 0 215.278 0.364 10 0 BCAERO Cc1nnc2c(N[C@H](C)CCC[NH3+])nccn12 ZINC000094948171 360328501 /nfs/dbraw/zinc/32/85/01/360328501.db2.gz AXMZUHPLLAMJNH-MRVPVSSYSA-N 1 0 234.307 0.972 10 0 BCAERO Nc1cc(N2CC(O)C2)c(Br)c[nH+]1 ZINC000306531830 360391255 /nfs/dbraw/zinc/39/12/55/360391255.db2.gz AWMIVQOCAVBGRW-UHFFFAOYSA-N 1 0 244.092 0.607 10 0 BCAERO NC(=O)CC1C[NH+]([C@H]2CCCCC2=O)C1 ZINC000306537836 360403132 /nfs/dbraw/zinc/40/31/32/360403132.db2.gz JBKSETQNLUMRFO-VIFPVBQESA-N 1 0 210.277 0.305 10 0 BCAERO CC1(C)CCC[C@@](C[NH3+])(CCO)[C@@H]1O ZINC000306538361 360404274 /nfs/dbraw/zinc/40/42/74/360404274.db2.gz MDXCGCFRHJTIIT-KOLCDFICSA-N 1 0 201.310 0.885 10 0 BCAERO NNc1nc(N[C@H]2CCSC2)cc[nH+]1 ZINC000231456052 360415784 /nfs/dbraw/zinc/41/57/84/360415784.db2.gz ITLJPBYCTQHRJH-LURJTMIESA-N 1 0 211.294 0.680 10 0 BCAERO C[C@H]1CN(c2ncns2)C[C@]1(C)C[NH3+] ZINC000306551731 360425869 /nfs/dbraw/zinc/42/58/69/360425869.db2.gz APEBRZIPEMOKMD-CBAPKCEASA-N 1 0 212.322 0.959 10 0 BCAERO CC(C)[C@H](C)[C@H]([NH3+])[C@H]1CN(C)CCO1 ZINC000306553263 360426897 /nfs/dbraw/zinc/42/68/97/360426897.db2.gz BCIXYEYKUCUOPP-AXFHLTTASA-N 1 0 200.326 0.936 10 0 BCAERO C[C@@H]1[C@H]([NH3+])CCCN1CC[S@@](C)=O ZINC000306560117 360435171 /nfs/dbraw/zinc/43/51/71/360435171.db2.gz BANZJAVARPMESG-JRKPZEMJSA-N 1 0 204.339 0.177 10 0 BCAERO C[C@@H]1CSC[C@@H]1N1C[C@@H]([NH3+])CC1=O ZINC000306583722 360482370 /nfs/dbraw/zinc/48/23/70/360482370.db2.gz PSNQGEUAZGNCBL-CSMHCCOUSA-N 1 0 200.307 0.298 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)c2cnn(C)n2)C[NH2+]1 ZINC000306588108 360492082 /nfs/dbraw/zinc/49/20/82/360492082.db2.gz VJDDAHFLFDIKLO-SFYZADRCSA-N 1 0 208.265 0.386 10 0 BCAERO C[C@@H]1C[C@H](NC(=O)C2([NH3+])CCC2)CS1 ZINC000306590234 360493094 /nfs/dbraw/zinc/49/30/94/360493094.db2.gz UYUYEBPQQBIVRT-SFYZADRCSA-N 1 0 214.334 0.878 10 0 BCAERO C[S@](=O)CCN1CCC[C@H]2C[NH2+]C[C@@H]21 ZINC000306589617 360493990 /nfs/dbraw/zinc/49/39/90/360493990.db2.gz ULKPAKIADBEAKE-BHDSKKPTSA-N 1 0 216.350 0.049 10 0 BCAERO C[C@@H]1C[C@H](C)N([S@](C)=O)C[C@H]1C[NH3+] ZINC000306589153 360494708 /nfs/dbraw/zinc/49/47/08/360494708.db2.gz WRHAJRUIXHLJEB-VXFNFUGZSA-N 1 0 204.339 0.585 10 0 BCAERO C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2S(C)(=O)=O ZINC000306570922 360457486 /nfs/dbraw/zinc/45/74/86/360457486.db2.gz ZRPAKEORUBQKPS-BDAKNGLRSA-N 1 0 218.322 0.115 10 0 BCAERO NC(=O)c1ccc(O[C@H]2CC[NH2+]C2)c(F)c1 ZINC000051868521 181301330 /nfs/dbraw/zinc/30/13/30/181301330.db2.gz URYRNIIKDSGSRK-QMMMGPOBSA-N 1 0 224.235 0.665 10 0 BCAERO C[C@H]1CC[C@@H]([NH3+])CN1S(=O)(=O)C(F)F ZINC000306579027 360466480 /nfs/dbraw/zinc/46/64/80/360466480.db2.gz MPLQVHYNDNZIHP-NTSWFWBYSA-N 1 0 228.264 0.350 10 0 BCAERO NC(=S)c1ncccc1-n1ccnc1 ZINC000130476914 360523201 /nfs/dbraw/zinc/52/32/01/360523201.db2.gz VZMRYYVROMTDFR-UHFFFAOYSA-N 1 0 204.258 0.902 10 0 BCAERO [NH3+]CC(=O)NC1C[C@H]2CC[C@@H](C1)S2 ZINC000403960574 360525423 /nfs/dbraw/zinc/52/54/23/360525423.db2.gz HQHIMXOIXGFQIS-IEESLHIDSA-N 1 0 200.307 0.488 10 0 BCAERO C[C@@H]1CSC[C@H]1N1CC[C@@H]([NH3+])C1=O ZINC000306596056 360514820 /nfs/dbraw/zinc/51/48/20/360514820.db2.gz YKJOZDNELHMWJE-BWZBUEFSSA-N 1 0 200.307 0.298 10 0 BCAERO CC[C@](C)(O)C[N@@H+]1CCC[C@@H]([NH3+])[C@H]1C ZINC000306598461 360518177 /nfs/dbraw/zinc/51/81/77/360518177.db2.gz PRNIDNVMPWFQSX-MXWKQRLJSA-N 1 0 200.326 0.959 10 0 BCAERO C[C@H]([NH3+])[C@H](C)N1CCCCS1(=O)=O ZINC000306596908 360518240 /nfs/dbraw/zinc/51/82/40/360518240.db2.gz NKDLKTWSFZMDHN-YUMQZZPRSA-N 1 0 206.311 0.148 10 0 BCAERO C[C@@H]([NH3+])[C@@H](C)N1CCCCS1(=O)=O ZINC000306596905 360518393 /nfs/dbraw/zinc/51/83/93/360518393.db2.gz NKDLKTWSFZMDHN-HTQZYQBOSA-N 1 0 206.311 0.148 10 0 BCAERO CC1(C)CCCN(S(=O)(=O)CC[NH3+])C1 ZINC000069793604 360556423 /nfs/dbraw/zinc/55/64/23/360556423.db2.gz XOORYRHOQRBEFU-UHFFFAOYSA-N 1 0 220.338 0.397 10 0 BCAERO CC(C)(C)OC(=O)N1CCCOC[C@@H]1C[NH3+] ZINC000238071503 360544772 /nfs/dbraw/zinc/54/47/72/360544772.db2.gz CTSZGHKFDCJSAP-VIFPVBQESA-N 1 0 230.308 0.971 10 0 BCAERO C[C@@H](C(N)=S)[N@@H+]1CCC[C@@H](O)CC1 ZINC000306610301 360615468 /nfs/dbraw/zinc/61/54/68/360615468.db2.gz FAWGLDVZXSXEBS-JGVFFNPUSA-N 1 0 202.323 0.508 10 0 BCAERO CC(C)(C)OC(=O)N1C(=O)CC[C@H]1C[NH3+] ZINC000238160728 360638832 /nfs/dbraw/zinc/63/88/32/360638832.db2.gz HMMUCVLVMSRNRK-ZETCQYMHSA-N 1 0 214.265 0.871 10 0 BCAERO C[NH2+][C@H](C)C(=O)N1CC[C@@H](COC)C1 ZINC000081061475 360688104 /nfs/dbraw/zinc/68/81/04/360688104.db2.gz GEVXHOZCWMUELH-RKDXNWHRSA-N 1 0 200.282 0.089 10 0 BCAERO NC(=O)c1ccnc(NC[C@@H]2CCC[NH2+]2)c1 ZINC000053255307 181307559 /nfs/dbraw/zinc/30/75/59/181307559.db2.gz QFZLIWUQQGTJHW-VIFPVBQESA-N 1 0 220.276 0.344 10 0 BCAERO CC(C)(Br)C(=O)NCC[NH3+] ZINC000138508160 360779270 /nfs/dbraw/zinc/77/92/70/360779270.db2.gz OORPSDUNNZYIIB-UHFFFAOYSA-N 1 0 209.087 0.235 10 0 BCAERO NC(=O)c1nccnc1OC[C@H]1CCCC[NH2+]1 ZINC000054399292 181314221 /nfs/dbraw/zinc/31/42/21/181314221.db2.gz LOLPCKUSQUDXQF-MRVPVSSYSA-N 1 0 236.275 0.096 10 0 BCAERO NC(=O)c1nccnc1N[C@H]1CCCCC[C@@H]1[NH3+] ZINC000063214486 181314324 /nfs/dbraw/zinc/31/43/24/181314324.db2.gz LXCVAXFWCHHJBZ-IUCAKERBSA-N 1 0 249.318 0.647 10 0 BCAERO CC(C)(C)OC[C@H](O)C[NH2+]C(C)(C)CC(N)=O ZINC000186208405 219873128 /nfs/dbraw/zinc/87/31/28/219873128.db2.gz XGSVVPBUPSGSBE-SECBINFHSA-N 1 0 246.351 0.406 10 0 BCAERO C[C@@H](NC(=O)C1([NH3+])CCC1)C(C)(C)O ZINC000306613206 361078492 /nfs/dbraw/zinc/07/84/92/361078492.db2.gz KFEXZBYFPFUGCY-SSDOTTSWSA-N 1 0 200.282 0.143 10 0 BCAERO [NH3+]C1(C(=O)N2CCC[C@@H](CO)C2)CCCC1 ZINC000037479542 181323939 /nfs/dbraw/zinc/32/39/39/181323939.db2.gz WMMIYVCBZJDVHD-SNVBAGLBSA-N 1 0 226.320 0.489 10 0 BCAERO CC(C)(O)C[NH2+][C@H]1CCC[C@@]1(C)CO ZINC000379582998 361107166 /nfs/dbraw/zinc/10/71/66/361107166.db2.gz MRDYBKNPZNJTGL-ONGXEEELSA-N 1 0 201.310 0.898 10 0 BCAERO [NH3+]C1(C(=O)N2CCC[C@H](O)C2)CCCCC1 ZINC000035624048 181323799 /nfs/dbraw/zinc/32/37/99/181323799.db2.gz HPBVAVGPUMBORA-JTQLQIEISA-N 1 0 226.320 0.631 10 0 BCAERO [NH3+]C1(C(=O)N2CCn3ccnc3C2)CCCCC1 ZINC000062254740 181324552 /nfs/dbraw/zinc/32/45/52/181324552.db2.gz SWGLECMCKADVBB-UHFFFAOYSA-N 1 0 248.330 0.887 10 0 BCAERO [NH3+]C1(C(=O)NC(C2CC2)C2CC2)CCOCC1 ZINC000127864306 181325572 /nfs/dbraw/zinc/32/55/72/181325572.db2.gz YOGLCRJPVJWLLE-UHFFFAOYSA-N 1 0 238.331 0.799 10 0 BCAERO [NH3+]C1(C(=O)NC[C@@H]2CCOC2)CCCC1 ZINC000037739046 181326103 /nfs/dbraw/zinc/32/61/03/181326103.db2.gz MFSPTRJRCRUSJW-VIFPVBQESA-N 1 0 212.293 0.411 10 0 BCAERO Cc1nnc(N2CC[NH2+]C[C@@H]2C)nc1C ZINC000159005733 361217917 /nfs/dbraw/zinc/21/79/17/361217917.db2.gz UFROZSHGEJMDFV-ZETCQYMHSA-N 1 0 207.281 0.287 10 0 BCAERO [NH3+]C1(C(=O)NCCOCC2CC2)CCOCC1 ZINC000229215720 181326210 /nfs/dbraw/zinc/32/62/10/181326210.db2.gz PHMLJNFYDNDYFV-UHFFFAOYSA-N 1 0 242.319 0.037 10 0 BCAERO O=C(N1CC[C@@H]2OCC[NH2+][C@H]2C1)C(F)(F)F ZINC000403993395 361301376 /nfs/dbraw/zinc/30/13/76/361301376.db2.gz FGXPFUCYIAZFGB-BQBZGAKWSA-N 1 0 238.209 0.138 10 0 BCAERO CC[C@@H]1CN(C(=O)[C@@H](C)[NH2+]C)C[C@@H](C)O1 ZINC000579128668 366720633 /nfs/dbraw/zinc/72/06/33/366720633.db2.gz FTEVCKVBXZVZFH-OPRDCNLKSA-N 1 0 214.309 0.620 10 0 BCAERO [NH3+]C1(C(=O)N[C@@H]2CCC[C@@H](O)C2)CCCC1 ZINC000037479551 181328379 /nfs/dbraw/zinc/32/83/79/181328379.db2.gz LOCCRHIZTOPCSZ-NXEZZACHSA-N 1 0 226.320 0.678 10 0 BCAERO [NH3+]C1CC(NC(=O)[C@@H]2CCCS2)C1 ZINC000069986444 361322135 /nfs/dbraw/zinc/32/21/35/361322135.db2.gz IOKXMCZBQZZNKJ-RRQHEKLDSA-N 1 0 200.307 0.488 10 0 BCAERO [NH3+][C@@H]1CCCN(C(=O)[C@@H]2CCSC2)C1 ZINC000069986570 361322400 /nfs/dbraw/zinc/32/24/00/361322400.db2.gz NJTHMENPYCMEHY-RKDXNWHRSA-N 1 0 214.334 0.689 10 0 BCAERO [NH3+][C@H]1CCCN(C(=O)[C@H]2CCSC2)C1 ZINC000069986571 361322496 /nfs/dbraw/zinc/32/24/96/361322496.db2.gz NJTHMENPYCMEHY-IUCAKERBSA-N 1 0 214.334 0.689 10 0 BCAERO [NH3+]C1(C(=O)Nc2n[nH]c(C(F)(F)F)n2)CC1 ZINC000237808035 181329753 /nfs/dbraw/zinc/32/97/53/181329753.db2.gz HCLXXTFACWMQOH-UHFFFAOYSA-N 1 0 235.169 0.253 10 0 BCAERO [NH3+]C1(CNc2nnnn2-c2ccccc2)CCC1 ZINC000236214417 181332001 /nfs/dbraw/zinc/33/20/01/181332001.db2.gz NWZDPFIOQDEITB-UHFFFAOYSA-N 1 0 244.302 0.956 10 0 BCAERO CCN(CC[NH3+])Cc1nnc(C)n1CC ZINC000629557859 361452065 /nfs/dbraw/zinc/45/20/65/361452065.db2.gz GUYCOFRZUBSQQN-UHFFFAOYSA-N 1 0 211.313 0.387 10 0 BCAERO CC(C)n1nnnc1C[NH2+][C@@H]1CCOC[C@H]1C ZINC000433184198 201167014 /nfs/dbraw/zinc/16/70/14/201167014.db2.gz XQTALKMDTPZLFA-NXEZZACHSA-N 1 0 239.323 0.769 10 0 BCAERO [NH3+]C1CCC(C(=O)NCCn2cccn2)CC1 ZINC000042542380 181340265 /nfs/dbraw/zinc/34/02/65/181340265.db2.gz NKGXXLMNEUCCPO-UHFFFAOYSA-N 1 0 236.319 0.517 10 0 BCAERO [NH3+]C1CCC(C(=O)N(CCO)C2CC2)CC1 ZINC000037482283 181340303 /nfs/dbraw/zinc/34/03/03/181340303.db2.gz WNNAUAVYILEULN-UHFFFAOYSA-N 1 0 226.320 0.487 10 0 BCAERO [NH3+]C1CCC(C(=O)N2CCC[C@H](O)C2)CC1 ZINC000037655133 181340305 /nfs/dbraw/zinc/34/03/05/181340305.db2.gz DSLNGTWMBGQWEQ-ILDUYXDCSA-N 1 0 226.320 0.487 10 0 BCAERO NS(=O)(=O)c1ccc(NC2CC([NH3+])C2)cc1 ZINC000036268657 181340015 /nfs/dbraw/zinc/34/00/15/181340015.db2.gz GRPKLSQUERRDOK-UHFFFAOYSA-N 1 0 241.316 0.236 10 0 BCAERO [NH3+]C1CCC(C(=O)N2CCC[C@H]2CO)CC1 ZINC000042434824 181340001 /nfs/dbraw/zinc/34/00/01/181340001.db2.gz UWZBKNODPYHYAP-ILDUYXDCSA-N 1 0 226.320 0.487 10 0 BCAERO COC1CC([NH2+][C@H]2CCc3nccn3C2)C1 ZINC000309978062 491159261 /nfs/dbraw/zinc/15/92/61/491159261.db2.gz USSBLJFLOOQDAD-WHXUTIOJSA-N 1 0 221.304 0.965 10 0 BCAERO [NH3+]C1CC(NC(=O)c2cc(Cl)c[nH]2)C1 ZINC000036256523 181340628 /nfs/dbraw/zinc/34/06/28/181340628.db2.gz QIBCGFXYLHIEAI-UHFFFAOYSA-N 1 0 213.668 0.888 10 0 BCAERO CCN(CC[NH3+])c1nccn2c(C)nnc12 ZINC000070617467 361637359 /nfs/dbraw/zinc/63/73/59/361637359.db2.gz VWBOKSFPGFYIPQ-UHFFFAOYSA-N 1 0 220.280 0.218 10 0 BCAERO Nn1cnnc1SC1CCC([NH3+])CC1 ZINC000055143854 181342353 /nfs/dbraw/zinc/34/23/53/181342353.db2.gz FLQAFEUSUPLAHK-UHFFFAOYSA-N 1 0 213.310 0.354 10 0 BCAERO [NH3+]C1CCN(C(=O)c2cscn2)CC1 ZINC000062358457 181343886 /nfs/dbraw/zinc/34/38/86/181343886.db2.gz NRJGCTXWLZMHMB-UHFFFAOYSA-N 1 0 211.290 0.706 10 0 BCAERO Cc1nn([C@@H]2C[NH2+]C[C@@H]2O)cc1Cl ZINC000070630446 361683033 /nfs/dbraw/zinc/68/30/33/361683033.db2.gz GXFHUXXZXLCKOW-SFYZADRCSA-N 1 0 201.657 0.350 10 0 BCAERO Cc1nn([C@H]2C[NH2+]C[C@@H]2O)cc1Cl ZINC000070630447 361683125 /nfs/dbraw/zinc/68/31/25/361683125.db2.gz GXFHUXXZXLCKOW-YUMQZZPRSA-N 1 0 201.657 0.350 10 0 BCAERO [NH3+]C1CCN(S(=O)(=O)c2cc[nH]c2)CC1 ZINC000036753620 181344385 /nfs/dbraw/zinc/34/43/85/181344385.db2.gz PCLLPEXWHNRRDO-UHFFFAOYSA-N 1 0 229.305 0.127 10 0 BCAERO [NH3+]C1CCN([C@@H]2CCCCNC2=O)CC1 ZINC000019811498 181344746 /nfs/dbraw/zinc/34/47/46/181344746.db2.gz URGZENBIVUIEKK-SNVBAGLBSA-N 1 0 211.309 0.078 10 0 BCAERO c1cc(SC[C@H]2C[NH2+]CCO2)ncn1 ZINC000070649872 361695544 /nfs/dbraw/zinc/69/55/44/361695544.db2.gz BAUOVXJZGAYBTP-MRVPVSSYSA-N 1 0 211.290 0.557 10 0 BCAERO Cn1cc(SC[C@@H]2C[NH2+]CCO2)cn1 ZINC000070649859 361696153 /nfs/dbraw/zinc/69/61/53/361696153.db2.gz DWHVAHIEWGRLNT-QMMMGPOBSA-N 1 0 213.306 0.501 10 0 BCAERO CC[NH2+]C[C@@H](O)C[C@@](C)(O)C1CCC1 ZINC000584883670 541307110 /nfs/dbraw/zinc/30/71/10/541307110.db2.gz ZASMROPFWQLEOC-WDEREUQCSA-N 1 0 201.310 0.898 10 0 BCAERO CCCc1nccn1C[C@](C)([NH3+])C(N)=O ZINC000069964634 541307846 /nfs/dbraw/zinc/30/78/46/541307846.db2.gz FMQFQOCNELVZLG-JTQLQIEISA-N 1 0 210.281 0.038 10 0 BCAERO COC(OC)[C@@H]1CC[NH+]=C2N[C@@H](C)CN21 ZINC000234575851 541311569 /nfs/dbraw/zinc/31/15/69/541311569.db2.gz AZXNRDUCHMIHLF-YUMQZZPRSA-N 1 0 213.281 0.027 10 0 BCAERO C[C@@H](C[NH3+])[C@@H](O)c1cnn(C)c1Br ZINC000306806352 541314148 /nfs/dbraw/zinc/31/41/48/541314148.db2.gz JKYCEILQHLBUHT-CAHLUQPWSA-N 1 0 248.124 0.811 10 0 BCAERO C[C@@H]1CCC[C@@H]1C(=O)N[C@@H](CO)C[NH+](C)C ZINC000614850947 364004455 /nfs/dbraw/zinc/00/44/55/364004455.db2.gz CYOUJPXTSUVQNU-MXWKQRLJSA-N 1 0 228.336 0.461 10 0 BCAERO CO[C@@H]1CN(Cc2cc(C)on2)[C@](C)(C[NH3+])C1 ZINC000630358798 364078898 /nfs/dbraw/zinc/07/88/98/364078898.db2.gz BUHGYDOPXQWRGT-RYUDHWBXSA-N 1 0 239.319 0.921 10 0 BCAERO CO[C@H]1C[N@H+](CC2CCOCC2)[C@@](C)(C[NH3+])C1 ZINC000630363726 364079787 /nfs/dbraw/zinc/07/97/87/364079787.db2.gz QXJZYDPBPOEWBV-CHWSQXEVSA-N 1 0 242.363 0.851 10 0 BCAERO CO[C@@H]1C[N@H+](C[C@H]2CCOC2)[C@](C)(C[NH3+])C1 ZINC000630357864 364079955 /nfs/dbraw/zinc/07/99/55/364079955.db2.gz GAXFCQASWOPMKY-WOPDTQHZSA-N 1 0 228.336 0.461 10 0 BCAERO CCOCCC(=O)N1C[C@H](OC)C[C@]1(C)C[NH3+] ZINC000630368265 364084817 /nfs/dbraw/zinc/08/48/17/364084817.db2.gz QAVOAVSMCRFANU-ZYHUDNBSSA-N 1 0 244.335 0.378 10 0 BCAERO CO[C@@H]1CN(C(=O)c2ccon2)[C@@](C)(C[NH3+])C1 ZINC000630359904 364080639 /nfs/dbraw/zinc/08/06/39/364080639.db2.gz NTKYYEQFTCVDQX-GZMMTYOYSA-N 1 0 239.275 0.253 10 0 BCAERO CCOC(=O)[C@@H]1CCn2c(N)c[nH+]c2C1 ZINC000725241601 541329723 /nfs/dbraw/zinc/32/97/23/541329723.db2.gz JCXGOAFCEMXIGZ-SSDOTTSWSA-N 1 0 209.249 0.591 10 0 BCAERO Cc1c(Cl)cnn1[C@@H](C)[C@@H]([NH3+])C(N)=O ZINC000725256076 541332744 /nfs/dbraw/zinc/33/27/44/541332744.db2.gz SFNGDIPEDSSAME-CAHLUQPWSA-N 1 0 216.672 0.219 10 0 BCAERO CC[C@]([NH3+])(CCCn1cccn1)C(N)=O ZINC000725256097 541332794 /nfs/dbraw/zinc/33/27/94/541332794.db2.gz SKVOTDXYHASGAN-JTQLQIEISA-N 1 0 210.281 0.256 10 0 BCAERO NC(=O)Nc1ccc(NC(=O)C[NH3+])cc1 ZINC000037041244 181355280 /nfs/dbraw/zinc/35/52/80/181355280.db2.gz JSFKFFRNUARIPM-UHFFFAOYSA-N 1 0 208.221 0.074 10 0 BCAERO CO[C@H]1CN(C(=O)CC(C)C)[C@@](C)(C[NH3+])C1 ZINC000630365862 364083346 /nfs/dbraw/zinc/08/33/46/364083346.db2.gz ZDAFUEYLMDKDMQ-ZYHUDNBSSA-N 1 0 228.336 0.997 10 0 BCAERO CO[C@H]1CN(C(=O)C2CC2)[C@](C)(C[NH3+])C1 ZINC000630366097 364083410 /nfs/dbraw/zinc/08/34/10/364083410.db2.gz ZMLQTLAHORWVHT-KOLCDFICSA-N 1 0 212.293 0.361 10 0 BCAERO CCC(=O)N1C[C@@H](OC)C[C@@]1(C)C[NH3+] ZINC000630364382 364083438 /nfs/dbraw/zinc/08/34/38/364083438.db2.gz VBFSSXXGMUKOJZ-WPRPVWTQSA-N 1 0 200.282 0.361 10 0 BCAERO CCC(=O)N1C[C@@H](OC)C[C@]1(C)C[NH3+] ZINC000630364381 364083535 /nfs/dbraw/zinc/08/35/35/364083535.db2.gz VBFSSXXGMUKOJZ-WCBMZHEXSA-N 1 0 200.282 0.361 10 0 BCAERO CO[C@H]1CN(Cc2conc2C)[C@](C)(C[NH3+])C1 ZINC000630364053 364083665 /nfs/dbraw/zinc/08/36/65/364083665.db2.gz CKFKRXUZVLSYCF-NEPJUHHUSA-N 1 0 239.319 0.921 10 0 BCAERO CC[C@H](C)C(=O)N1C[C@@H](OC)C[C@]1(C)C[NH3+] ZINC000630366440 364086608 /nfs/dbraw/zinc/08/66/08/364086608.db2.gz KMDAZUVRLGBZHL-JBLDHEPKSA-N 1 0 228.336 0.997 10 0 BCAERO COCCCC(=O)N1C[C@H](OC)C[C@@]1(C)C[NH3+] ZINC000630371233 364087357 /nfs/dbraw/zinc/08/73/57/364087357.db2.gz RCDGGLHHRWSXGU-PWSUYJOCSA-N 1 0 244.335 0.378 10 0 BCAERO CO[C@@H]1CN(C(=O)[C@H]2CC2(C)C)[C@](C)(C[NH3+])C1 ZINC000630375309 364091213 /nfs/dbraw/zinc/09/12/13/364091213.db2.gz QWXZXWHTKVNSQQ-CWSCBRNRSA-N 1 0 240.347 0.997 10 0 BCAERO [NH3+]CC(=O)Nc1ccc(-c2nnco2)cc1 ZINC000040828839 181355661 /nfs/dbraw/zinc/35/56/61/181355661.db2.gz HXTGZCPSMZMGSP-UHFFFAOYSA-N 1 0 218.216 0.634 10 0 BCAERO CO[C@H]1CN(C(=O)C2CC=CC2)[C@@](C)(C[NH3+])C1 ZINC000630378475 364094586 /nfs/dbraw/zinc/09/45/86/364094586.db2.gz WPUGIVFMCPZMRK-DGCLKSJQSA-N 1 0 238.331 0.917 10 0 BCAERO [NH3+]CC1(C(=O)N2CCS(=O)CC2)CCCC1 ZINC000044763901 181357412 /nfs/dbraw/zinc/35/74/12/181357412.db2.gz LDABFUPTNISZLP-UHFFFAOYSA-N 1 0 244.360 0.096 10 0 BCAERO C[C@@H](NC(=O)C[NH+](C)C)[C@@H]1CCCO1 ZINC000170754260 364164796 /nfs/dbraw/zinc/16/47/96/364164796.db2.gz UOJXNLPEWFJKTO-BDAKNGLRSA-N 1 0 200.282 0.232 10 0 BCAERO C[NH2+]CCC1=NCCN1C(=O)C(C)(C)C ZINC000725272916 541340737 /nfs/dbraw/zinc/34/07/37/541340737.db2.gz UFCOXTNNODWCJC-UHFFFAOYSA-N 1 0 211.309 0.883 10 0 BCAERO [NH3+]CC(=O)n1cc(Br)cn1 ZINC000082380803 181358164 /nfs/dbraw/zinc/35/81/64/181358164.db2.gz WLHBIEDKNOCUKI-UHFFFAOYSA-N 1 0 204.027 0.245 10 0 BCAERO [NH3+]CC1(C(=O)Nc2cn[nH]c2)CCOCC1 ZINC000044762709 181359210 /nfs/dbraw/zinc/35/92/10/181359210.db2.gz PWDMNFBMZVKPIU-UHFFFAOYSA-N 1 0 224.264 0.104 10 0 BCAERO [NH3+]CC1(C(=O)N[C@H]2CCCOC2)CCCC1 ZINC000071013922 181359022 /nfs/dbraw/zinc/35/90/22/181359022.db2.gz DHCFZNCGYCSBQT-JTQLQIEISA-N 1 0 226.320 0.801 10 0 BCAERO C[C@H]1CC[C@@H](Nc2ncnc3c2cnn3C)C[NH2+]1 ZINC000630532972 364223618 /nfs/dbraw/zinc/22/36/18/364223618.db2.gz MBBALQNMKUWVBQ-DTWKUNHWSA-N 1 0 246.318 0.916 10 0 BCAERO C[C@@H]1CN(c2nccn3cnnc23)C[C@@H]1C[NH3+] ZINC000630552379 364246768 /nfs/dbraw/zinc/24/67/68/364246768.db2.gz FAHJXEXMCIQXFX-BDAKNGLRSA-N 1 0 232.291 0.155 10 0 BCAERO Cc1nsc(N2C[C@H](C)[C@@H](C[NH3+])C2)n1 ZINC000630553875 364249128 /nfs/dbraw/zinc/24/91/28/364249128.db2.gz MEDFDPJNSMMFCY-XPUUQOCRSA-N 1 0 212.322 0.878 10 0 BCAERO Cc1nnc(N2C[C@@H](C)[C@@H](C[NH3+])C2)nc1C ZINC000630554934 364253426 /nfs/dbraw/zinc/25/34/26/364253426.db2.gz WCHXZVQHNHVIHQ-XCBNKYQSSA-N 1 0 221.308 0.519 10 0 BCAERO [NH3+]CC1(C(=O)NC[C@H]2CCOC2)CCCC1 ZINC000061146834 181359264 /nfs/dbraw/zinc/35/92/64/181359264.db2.gz HHNJBLXFFBMODI-SNVBAGLBSA-N 1 0 226.320 0.658 10 0 BCAERO [NH3+]CC1(C(=O)NC2CCCC2)CCOCC1 ZINC000044761337 181359272 /nfs/dbraw/zinc/35/92/72/181359272.db2.gz MXAIVUZTMAQFRL-UHFFFAOYSA-N 1 0 226.320 0.801 10 0 BCAERO [NH3+]CC1(CC(=O)NCCCO)CCCCC1 ZINC000083356287 181359349 /nfs/dbraw/zinc/35/93/49/181359349.db2.gz ZBAFSBZZBFNPRM-UHFFFAOYSA-N 1 0 228.336 0.784 10 0 BCAERO Cc1noc2ncnc(N3C[C@H]([NH3+])C[C@H]3C)c12 ZINC000630556774 364257896 /nfs/dbraw/zinc/25/78/96/364257896.db2.gz CZHPHPKQLZBDKJ-HTRCEHHLSA-N 1 0 233.275 0.852 10 0 BCAERO C[C@@H]1CN(c2ncnc3nc[nH]c32)C[C@@H]1C[NH3+] ZINC000630569925 364266004 /nfs/dbraw/zinc/26/60/04/364266004.db2.gz KQDMTFKZVFBYTN-SFYZADRCSA-N 1 0 232.291 0.384 10 0 BCAERO C[C@H]1CN(c2ccc3nncn3n2)C[C@H]1C[NH3+] ZINC000630571736 364267486 /nfs/dbraw/zinc/26/74/86/364267486.db2.gz OVULFNJZASNYDW-DTWKUNHWSA-N 1 0 232.291 0.155 10 0 BCAERO Cc1nnc(N2C[C@H](C)[C@@H](C[NH3+])C2)s1 ZINC000630573556 364269179 /nfs/dbraw/zinc/26/91/79/364269179.db2.gz UVPOQIDGXUJMAT-XPUUQOCRSA-N 1 0 212.322 0.878 10 0 BCAERO Cc1noc2ncnc(N3C[C@@H](C[NH3+])[C@H](C)C3)c12 ZINC000630574989 364273930 /nfs/dbraw/zinc/27/39/30/364273930.db2.gz WDVQRPKAAYWKEL-VXNVDRBHSA-N 1 0 247.302 0.957 10 0 BCAERO [NH3+]CC1(N2CCCCC2)CCS(=O)(=O)CC1 ZINC000042332201 181360439 /nfs/dbraw/zinc/36/04/39/181360439.db2.gz PRHQBMCMAMAUAK-UHFFFAOYSA-N 1 0 246.376 0.378 10 0 BCAERO [NH3+]CC1(c2ccc3c(c2)OCCO3)OCCO1 ZINC000049828496 181362552 /nfs/dbraw/zinc/36/25/52/181362552.db2.gz OSKOTHBNGHIIKR-UHFFFAOYSA-N 1 0 237.255 0.616 10 0 BCAERO C[C@H]1OCC[C@@H]1[NH2+]CCN1CCOCC1 ZINC000134378283 364401164 /nfs/dbraw/zinc/40/11/64/364401164.db2.gz NZQFQMLDLFZHJH-MNOVXSKESA-N 1 0 214.309 0.086 10 0 BCAERO C[C@@H]1OCC[C@@H]1[NH2+]CCN1CCOCC1 ZINC000134378304 364401579 /nfs/dbraw/zinc/40/15/79/364401579.db2.gz NZQFQMLDLFZHJH-QWRGUYRKSA-N 1 0 214.309 0.086 10 0 BCAERO C[C@@H]1OCC[C@@H]1[NH2+]CC(=O)N(C)C1CC1 ZINC000134543683 364405380 /nfs/dbraw/zinc/40/53/80/364405380.db2.gz BZGIPARBOFUAGP-WPRPVWTQSA-N 1 0 212.293 0.374 10 0 BCAERO CNC(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000136046211 364455634 /nfs/dbraw/zinc/45/56/34/364455634.db2.gz OODINDWMPDDDKG-SECBINFHSA-N 1 0 201.314 0.892 10 0 BCAERO CN(C)C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000136298412 364468343 /nfs/dbraw/zinc/46/83/43/364468343.db2.gz QJKYZMUITVQUSA-SNVBAGLBSA-N 1 0 211.309 0.838 10 0 BCAERO C[C@H](OCC1CC1)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170854984 364531480 /nfs/dbraw/zinc/53/14/80/364531480.db2.gz RNDMNGBSROARFO-JQWIXIFHSA-N 1 0 240.347 0.964 10 0 BCAERO [NH3+]CCNCc1cnn(Cc2ccccc2)c1 ZINC000037712785 364544863 /nfs/dbraw/zinc/54/48/63/364544863.db2.gz OIXGOXWMHIPECV-UHFFFAOYSA-N 1 0 230.315 0.980 10 0 BCAERO CS[C@H](C)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170866418 364546083 /nfs/dbraw/zinc/54/60/83/364546083.db2.gz QVCAQEOUVODUPH-RKDXNWHRSA-N 1 0 216.350 0.900 10 0 BCAERO [NH3+]CCC(=O)N1CCCC[C@@H]1CCO ZINC000022171957 181367011 /nfs/dbraw/zinc/36/70/11/181367011.db2.gz BLLLUXNWEQTOMV-SECBINFHSA-N 1 0 200.282 0.099 10 0 BCAERO [NH3+]CCC(=O)NC[C@H]1Cc2ccccc2O1 ZINC000038010020 181367420 /nfs/dbraw/zinc/36/74/20/181367420.db2.gz LNXFFVZFXNNGSO-SNVBAGLBSA-N 1 0 220.272 0.455 10 0 BCAERO Nc1cnn(CCC[NH+]2CCOCC2)c1 ZINC000116801666 541369550 /nfs/dbraw/zinc/36/95/50/541369550.db2.gz JAVSIFHIJNJZSB-UHFFFAOYSA-N 1 0 210.281 0.188 10 0 BCAERO COC(=O)[C@H]1CCCN(C[C@H]2CCC[N@@H+]2C)C1 ZINC000387408046 364669368 /nfs/dbraw/zinc/66/93/68/364669368.db2.gz LYEBBBWDMZCELP-NWDGAFQWSA-N 1 0 240.347 0.966 10 0 BCAERO C[C@H]1CC(NC(=O)[C@H]2CC[NH2+]C2)C[C@H](C)O1 ZINC000567980477 364757776 /nfs/dbraw/zinc/75/77/76/364757776.db2.gz BMVNICFFDFTHPI-GUBZILKMSA-N 1 0 226.320 0.668 10 0 BCAERO [NH3+]CCCC(=O)NC1CCC(O)CC1 ZINC000019508767 181371249 /nfs/dbraw/zinc/37/12/49/181371249.db2.gz UBPGUHYKVZPDGN-UHFFFAOYSA-N 1 0 200.282 0.145 10 0 BCAERO CCc1nnc(CN2CC[C@@H]([NH3+])C[C@H]2C)n1C ZINC000573503528 364849360 /nfs/dbraw/zinc/84/93/60/364849360.db2.gz XZXLXXHVYCUFEM-NXEZZACHSA-N 1 0 237.351 0.689 10 0 BCAERO NC(=O)[C@@H]1CCCCN1C(=O)CCCCC[NH3+] ZINC000037799406 181373723 /nfs/dbraw/zinc/37/37/23/181373723.db2.gz NFFCWNYEPQTYQB-JTQLQIEISA-N 1 0 241.335 0.372 10 0 BCAERO [NH3+]CCCCCn1nnc2ccccc2c1=O ZINC000049582061 181376180 /nfs/dbraw/zinc/37/61/80/181376180.db2.gz XQUDPQCPCPCEAU-UHFFFAOYSA-N 1 0 232.287 0.921 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)N[C@@](C)(C[NH3+])C2CC2)O1 ZINC000168548596 364953525 /nfs/dbraw/zinc/95/35/25/364953525.db2.gz NBXUPCQOZHYNON-UISBYWKRSA-N 1 0 226.320 0.798 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000573971271 364957489 /nfs/dbraw/zinc/95/74/89/364957489.db2.gz RPYDZFIZHHIJGD-RMPHRYRLSA-N 1 0 240.347 0.914 10 0 BCAERO [NH3+]CCCCS(=O)(=O)N1CCCCC1 ZINC000020180120 181378264 /nfs/dbraw/zinc/37/82/64/181378264.db2.gz VWLMSJUQRNCAKA-UHFFFAOYSA-N 1 0 220.338 0.541 10 0 BCAERO [NH3+]CCN1CCN(C(=O)Cc2ccccc2)CC1 ZINC000020181643 181391869 /nfs/dbraw/zinc/39/18/69/181391869.db2.gz FAPMXXOUNHJYNN-UHFFFAOYSA-N 1 0 247.342 0.332 10 0 BCAERO [NH3+]CCCNC(=O)c1cnn(-c2ccccc2)c1 ZINC000020215991 181382422 /nfs/dbraw/zinc/38/24/22/181382422.db2.gz UOEWIWICKACGMK-UHFFFAOYSA-N 1 0 244.298 0.951 10 0 BCAERO Nc1ccc(C(=O)NCCC[NH3+])cc1F ZINC000063010928 181382539 /nfs/dbraw/zinc/38/25/39/181382539.db2.gz OOOYWBAGSNZAJU-UHFFFAOYSA-N 1 0 211.240 0.487 10 0 BCAERO [NH3+]CCCS[C@H]1CCS(=O)(=O)C1 ZINC000020397573 181385030 /nfs/dbraw/zinc/38/50/30/181385030.db2.gz JOIOVQFLLAQSFR-ZETCQYMHSA-N 1 0 209.336 0.256 10 0 BCAERO [NH3+]CCN1CCC2(C1)CCC(CO)CC2 ZINC000095077566 181392170 /nfs/dbraw/zinc/39/21/70/181392170.db2.gz IUIJRZHDCNMPCR-UHFFFAOYSA-N 1 0 212.337 0.820 10 0 BCAERO [NH3+]CCCc1nnc([C@@H]2COCCO2)o1 ZINC000055305814 181388074 /nfs/dbraw/zinc/38/80/74/181388074.db2.gz RWNBGGCCCBFJSU-ZETCQYMHSA-N 1 0 213.237 0.049 10 0 BCAERO [NH3+]CCCn1cnc2ccccc2c1=O ZINC000020295709 181389822 /nfs/dbraw/zinc/38/98/22/181389822.db2.gz ULPCIYSLJKXTPO-UHFFFAOYSA-N 1 0 203.245 0.745 10 0 BCAERO NC(=O)c1cc(N(CC[NH3+])C2CCCC2)ccn1 ZINC000104315346 181390223 /nfs/dbraw/zinc/39/02/23/181390223.db2.gz OBXUVEPSQFMTJG-UHFFFAOYSA-N 1 0 248.330 0.888 10 0 BCAERO [NH3+]CCN(C(=O)c1cccnc1)C1CC1 ZINC000041056771 181390292 /nfs/dbraw/zinc/39/02/92/181390292.db2.gz LBAKRXZKINUKKK-UHFFFAOYSA-N 1 0 205.261 0.645 10 0 BCAERO [NH3+]CCN1C(=O)Nc2ccccc2S1(=O)=O ZINC000074942287 181390356 /nfs/dbraw/zinc/39/03/56/181390356.db2.gz ORKLCIYGEXXVHA-UHFFFAOYSA-N 1 0 241.272 0.182 10 0 BCAERO [NH3+]CCN1C(=O)C[C@H](c2ccccc2)C1=O ZINC000104312603 181390868 /nfs/dbraw/zinc/39/08/68/181390868.db2.gz MEFOTAQAAWRYOM-SNVBAGLBSA-N 1 0 218.256 0.488 10 0 BCAERO [NH3+]CCN1C(=O)CC2(CCCCC2)C1=O ZINC000037751199 181390887 /nfs/dbraw/zinc/39/08/87/181390887.db2.gz MBTGOMJMEADGKL-UHFFFAOYSA-N 1 0 210.277 0.655 10 0 BCAERO [NH3+]CCN1CCN(C(=O)CC2CCCC2)CC1 ZINC000037864286 181391265 /nfs/dbraw/zinc/39/12/65/181391265.db2.gz AZVKMIFMKBEMCC-UHFFFAOYSA-N 1 0 239.363 0.670 10 0 BCAERO [NH3+]CCN1CCO[C@H](c2ccccn2)C1 ZINC000019729985 181392316 /nfs/dbraw/zinc/39/23/16/181392316.db2.gz PXPSDAXAJOJYSD-NSHDSACASA-N 1 0 207.277 0.414 10 0 BCAERO [NH3+]CCNC(=O)c1cccc2cc[nH]c21 ZINC000076189853 181395195 /nfs/dbraw/zinc/39/51/95/181395195.db2.gz FBYSUXBQRHIGDP-UHFFFAOYSA-N 1 0 203.245 0.856 10 0 BCAERO CCN1CCO[C@H](C[NH2+][C@H](COC)C(C)C)C1 ZINC000252646865 541451669 /nfs/dbraw/zinc/45/16/69/541451669.db2.gz SPCCRUGKPDZWHL-CHWSQXEVSA-N 1 0 244.379 0.968 10 0 BCAERO Nc1cc2c(cc1NCC[NH3+])NC(=O)C2 ZINC000052815337 181396558 /nfs/dbraw/zinc/39/65/58/181396558.db2.gz VATLXWAYOHDXBE-UHFFFAOYSA-N 1 0 206.249 0.134 10 0 BCAERO [NH3+]CCN[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000037712890 181396803 /nfs/dbraw/zinc/39/68/03/181396803.db2.gz OSXJCLMKUUFTCX-JTQLQIEISA-N 1 0 240.328 0.453 10 0 BCAERO [NH3+]CCNCc1ccc2c(c1)OCCO2 ZINC000037712635 181397305 /nfs/dbraw/zinc/39/73/05/181397305.db2.gz VFJCDKFMPLAYHY-UHFFFAOYSA-N 1 0 208.261 0.506 10 0 BCAERO [NH3+]CCOCCOc1ccc2c(c1)OCO2 ZINC000020221447 181399154 /nfs/dbraw/zinc/39/91/54/181399154.db2.gz GCCWDSVMUAEGFV-UHFFFAOYSA-N 1 0 225.244 0.769 10 0 BCAERO C[NH2+][C@H](C)C(=O)NC[C@]1(C)CCCO1 ZINC000087253810 365127975 /nfs/dbraw/zinc/12/79/75/365127975.db2.gz WECQVVSULIOAQB-SCZZXKLOSA-N 1 0 200.282 0.280 10 0 BCAERO [NH3+]CCc1nn2c(nnc2C2CC2)s1 ZINC000020272944 181414093 /nfs/dbraw/zinc/41/40/93/181414093.db2.gz IKWDOWYFGRKJHR-UHFFFAOYSA-N 1 0 209.278 0.564 10 0 BCAERO [NH3+]C[C@@H](NC(=O)N1CCCCC1)C1CC1 ZINC000082641755 181420859 /nfs/dbraw/zinc/42/08/59/181420859.db2.gz MIUOXKUDLMGGNW-SNVBAGLBSA-N 1 0 211.309 0.919 10 0 BCAERO [NH3+]C[C@@H](O)Cc1nccn1Cc1ccccc1 ZINC000076165951 181422720 /nfs/dbraw/zinc/42/27/20/181422720.db2.gz GZXAWDIOGJDKIM-LBPRGKRZSA-N 1 0 231.299 0.794 10 0 BCAERO COC[C@H](C)CNC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000172492668 365329125 /nfs/dbraw/zinc/32/91/25/365329125.db2.gz PDCZVKPUZMPFRY-GHMZBOCLSA-N 1 0 243.351 0.614 10 0 BCAERO COCCC(C)(C)CNC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000575744891 365349563 /nfs/dbraw/zinc/34/95/63/365349563.db2.gz BHIIEBSJIJYQHT-VHSXEESVSA-N 1 0 246.326 0.865 10 0 BCAERO COC[C@H]([NH3+])C(=O)NC1C[C@H](C)O[C@@H](C)C1 ZINC000575806548 365369912 /nfs/dbraw/zinc/36/99/12/365369912.db2.gz YXLPPGRLSMSMIQ-NRPADANISA-N 1 0 230.308 0.032 10 0 BCAERO CC1(C)S[C@@H]2[C@@H]([NH3+])C(=O)N2[C@H]1C(F)(F)F ZINC000675060655 541463905 /nfs/dbraw/zinc/46/39/05/541463905.db2.gz KOZOQGVBNUAMAT-OTWZMJIISA-N 1 0 240.250 0.938 10 0 BCAERO CC[C@]1(NS(=O)(=O)CC)CCC[NH2+]C1 ZINC000685947531 541496850 /nfs/dbraw/zinc/49/68/50/541496850.db2.gz OYGGPKWXFPPFBL-VIFPVBQESA-N 1 0 220.338 0.458 10 0 BCAERO CC[C@]1([NH3+])CCCN(C(=O)CCOC)C1 ZINC000685947586 541496973 /nfs/dbraw/zinc/49/69/73/541496973.db2.gz PNXPILWFMHWMHU-NSHDSACASA-N 1 0 214.309 0.753 10 0 BCAERO CC[C@H]1[C@H](C)CNc2nc(CC[NH3+])nn21 ZINC000234083035 541511174 /nfs/dbraw/zinc/51/11/74/541511174.db2.gz CGXRLCDXDIGMSJ-SFYZADRCSA-N 1 0 209.297 0.792 10 0 BCAERO CCc1nc2n(n1)[C@@H]1CC[NH2+]C[C@H]1CN2 ZINC000234208168 541511826 /nfs/dbraw/zinc/51/18/26/541511826.db2.gz LOVFHRJTNHHBDK-JGVFFNPUSA-N 1 0 207.281 0.417 10 0 BCAERO CC(C)c1nc2ncc3c(n2n1)CC[NH2+]C3 ZINC000232798417 541507861 /nfs/dbraw/zinc/50/78/61/541507861.db2.gz QYDOGUJCYXKDEU-UHFFFAOYSA-N 1 0 217.276 0.893 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)N2CC[C@](C)(C[NH3+])C2)O1 ZINC000380528233 367229890 /nfs/dbraw/zinc/22/98/90/367229890.db2.gz CHOUFPHLEAQXSK-CKYFFXLPSA-N 1 0 226.320 0.751 10 0 BCAERO [NH3+]C[C@H]1CCCN1C(=O)[C@H]1CC12CCOCC2 ZINC000565538361 325924943 /nfs/dbraw/zinc/92/49/43/325924943.db2.gz UESWYOSPWGWJGC-GHMZBOCLSA-N 1 0 238.331 0.753 10 0 BCAERO C[C@@H]([NH2+]C1CC1)C(=O)N1CCC([C@H](C)O)CC1 ZINC000382964371 367574809 /nfs/dbraw/zinc/57/48/09/367574809.db2.gz ACTWGLZHGRTFBC-ZJUUUORDSA-N 1 0 240.347 0.746 10 0 BCAERO C[C@@H]1[C@@H](O)CCCN1C[C@H](O)C[N@H+](C)C1CC1 ZINC000384882149 367750764 /nfs/dbraw/zinc/75/07/64/367750764.db2.gz ISOWRDBCPQYHAY-RTXFEEFZSA-N 1 0 242.363 0.287 10 0 BCAERO CC(C)[C@H](C)NC(=O)C[N@@H+]1CCC[C@H](O)[C@@H]1C ZINC000384916469 367755846 /nfs/dbraw/zinc/75/58/46/367755846.db2.gz QNNRBNCLVACADC-SRVKXCTJSA-N 1 0 242.363 0.992 10 0 BCAERO [NH3+]C[C@@H]1CCCN1C(=O)[C@@H](O)c1ccccc1 ZINC000131563516 181430862 /nfs/dbraw/zinc/43/08/62/181430862.db2.gz DJWJECJKCFDMDF-RYUDHWBXSA-N 1 0 234.299 0.670 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O ZINC000036809152 181432345 /nfs/dbraw/zinc/43/23/45/181432345.db2.gz JCHRCRQMNGLGDP-DTWKUNHWSA-N 1 0 218.322 0.149 10 0 BCAERO CCN(CC)C(=O)C[N@@H+]1CCC[C@H](O)[C@H]1C ZINC000385098089 367789976 /nfs/dbraw/zinc/78/99/76/367789976.db2.gz ZERDINHBRDKYJH-MNOVXSKESA-N 1 0 228.336 0.700 10 0 BCAERO COc1ccnc(N2C[C@H]([NH3+])C[C@H]2C)n1 ZINC000385211403 367809064 /nfs/dbraw/zinc/80/90/64/367809064.db2.gz XEQNMQKJMNXPRT-HTQZYQBOSA-N 1 0 208.265 0.411 10 0 BCAERO COC(=O)C(C)(C)NC[C@@H]1CCC[NH2+]C1 ZINC000087646584 367948210 /nfs/dbraw/zinc/94/82/10/367948210.db2.gz MINQNGYDAFQPML-SECBINFHSA-N 1 0 214.309 0.527 10 0 BCAERO Cc1cnc(N2CC[NH2+][C@@H](C)C2)nc1C ZINC000386386577 367960377 /nfs/dbraw/zinc/96/03/77/367960377.db2.gz BABNVUUZTSBOMS-VIFPVBQESA-N 1 0 206.293 0.892 10 0 BCAERO CNC(=O)[C@H](C)O[C@H]1CCCC[C@H]1[NH3+] ZINC000252849529 368162911 /nfs/dbraw/zinc/16/29/11/368162911.db2.gz DXMBDZYTJSOCCP-YIZRAAEISA-N 1 0 200.282 0.407 10 0 BCAERO C[C@@H](CN1CC[NH2+]C[C@@H](C)C1)[S@](C)=O ZINC000252934710 368168853 /nfs/dbraw/zinc/16/88/53/368168853.db2.gz DWRMGNVRGNATGG-BFVZDQMLSA-N 1 0 218.366 0.295 10 0 BCAERO CNC(=S)N[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000252947629 368170655 /nfs/dbraw/zinc/17/06/55/368170655.db2.gz AMTRKTUUVHNCEK-HTQZYQBOSA-N 1 0 201.339 0.421 10 0 BCAERO N#Cc1ccc(CNC(=O)[C@H]2CC[NH2+]2)cc1 ZINC000059980140 368302649 /nfs/dbraw/zinc/30/26/49/368302649.db2.gz ZIMRBHYLKJIANL-LLVKDONJSA-N 1 0 215.256 0.536 10 0 BCAERO CS(=O)(=O)c1ccc(OCC2C[NH2+]C2)cc1 ZINC000118591890 368345219 /nfs/dbraw/zinc/34/52/19/368345219.db2.gz IIAKLDRDGKSYSJ-UHFFFAOYSA-N 1 0 241.312 0.688 10 0 BCAERO C[NH+]1CCN(c2ccc(N)c(C[NH3+])c2)CC1 ZINC000142832518 368348128 /nfs/dbraw/zinc/34/81/28/368348128.db2.gz UEVUFRMCURUEQI-UHFFFAOYSA-N 1 0 220.320 0.479 10 0 BCAERO CC(=O)NCc1ccccc1N1CC[NH2+]CC1 ZINC000147542662 368351276 /nfs/dbraw/zinc/35/12/76/368351276.db2.gz XWAHLQCEHTWWNM-UHFFFAOYSA-N 1 0 233.315 0.732 10 0 BCAERO C[C@@H](CC(N)=S)[N@@H+]1CCC[C@](C)(O)C1 ZINC000253065263 368444311 /nfs/dbraw/zinc/44/43/11/368444311.db2.gz IEZMUOOKHPVPHG-WPRPVWTQSA-N 1 0 216.350 0.898 10 0 BCAERO C[NH2+][C@H](C)C(=O)N[C@H]1CC[C@H](O)CC1 ZINC000253113958 368507122 /nfs/dbraw/zinc/50/71/22/368507122.db2.gz FBCBDCOAVLMDQO-IWSPIJDZSA-N 1 0 200.282 0.014 10 0 BCAERO O=C(N[C@@H]1CCSC1)[C@H]1CCC[NH2+]C1 ZINC000225491344 370911936 /nfs/dbraw/zinc/91/19/36/370911936.db2.gz XPTWOYGDVGZSRQ-DTWKUNHWSA-N 1 0 214.334 0.608 10 0 BCAERO CC(C)(C)OC(=O)c1cnc(C[NH3+])nc1 ZINC000584879956 368858551 /nfs/dbraw/zinc/85/85/51/368858551.db2.gz WEGYXNITQYDYMN-UHFFFAOYSA-N 1 0 209.249 0.891 10 0 BCAERO Cc1cc(NC(=O)[C@H]2CC[C@H]([NH3+])C2)n[nH]1 ZINC000085013277 368862021 /nfs/dbraw/zinc/86/20/21/368862021.db2.gz NLFFDNITALEPPD-YUMQZZPRSA-N 1 0 208.265 0.784 10 0 BCAERO CN(C)c1nccc(NCC2CC[NH2+]CC2)n1 ZINC000085432101 368864391 /nfs/dbraw/zinc/86/43/91/368864391.db2.gz XMGWEBQJXOMCEQ-UHFFFAOYSA-N 1 0 235.335 0.954 10 0 BCAERO [NH3+][C@@H]1CC[C@@H](C(=O)NCCc2ccncc2)C1 ZINC000091548168 369013818 /nfs/dbraw/zinc/01/38/18/369013818.db2.gz YNXVGHAZNHQRGM-VXGBXAGGSA-N 1 0 233.315 0.868 10 0 BCAERO NNc1cc(NN)[nH+]c(Cc2ccccc2)n1 ZINC000616220320 369063682 /nfs/dbraw/zinc/06/36/82/369063682.db2.gz ZNWWLWWHBMCCRQ-UHFFFAOYSA-N 1 0 230.275 0.639 10 0 BCAERO CC(C)n1ncnc1CN1C[C@H](C)[C@H](C[NH3+])C1 ZINC000631836690 369089130 /nfs/dbraw/zinc/08/91/30/369089130.db2.gz FAQGLYJYHLTUAA-WDEREUQCSA-N 1 0 237.351 0.886 10 0 BCAERO C[NH2+][C@H](C)C(=O)N1C[C@@H](C)OC[C@H]1C ZINC000054072278 369055194 /nfs/dbraw/zinc/05/51/94/369055194.db2.gz CAYCFDGBOKLZNT-IWSPIJDZSA-N 1 0 200.282 0.230 10 0 BCAERO [NH3+]CCN1C[C@@H](c2nnn[n-]2)Nc2ccccc21 ZINC000616692746 369115464 /nfs/dbraw/zinc/11/54/64/369115464.db2.gz PDOSDTKUHVVEKQ-VIFPVBQESA-N 1 0 245.290 0.132 10 0 BCAERO [NH3+]CCN1CCc2ccccc2[C@@H]1c1cn[nH]n1 ZINC000616693507 369115717 /nfs/dbraw/zinc/11/57/17/369115717.db2.gz YPIKXMYYTDJPJZ-CYBMUJFWSA-N 1 0 243.314 0.711 10 0 BCAERO NC(=O)N1C[C@@H](CC[NH3+])Nc2ccccc21 ZINC000616693734 369115733 /nfs/dbraw/zinc/11/57/33/369115733.db2.gz XFNIDEQSLQBZDZ-MRVPVSSYSA-N 1 0 220.276 0.715 10 0 BCAERO C[C@H]1CN(CC(=O)N2CCCC2)C[C@@H]1C[NH3+] ZINC000631838985 369123751 /nfs/dbraw/zinc/12/37/51/369123751.db2.gz XZSSSQYDWUNANU-QWRGUYRKSA-N 1 0 225.336 0.135 10 0 BCAERO [NH3+]C[C@H]1CC(=O)N(Cc2ccccc2)C1=O ZINC000100790017 181456477 /nfs/dbraw/zinc/45/64/77/181456477.db2.gz YXRRWYROGNNNFW-SNVBAGLBSA-N 1 0 218.256 0.520 10 0 BCAERO [NH3+]CCN1CCCO[C@H](c2cc[nH]n2)C1 ZINC000616680248 369111265 /nfs/dbraw/zinc/11/12/65/369111265.db2.gz QHTNLFQBWBXOAD-JTQLQIEISA-N 1 0 210.281 0.132 10 0 BCAERO [NH3+]CCN1CCCO[C@H](c2ncccn2)C1 ZINC000616678446 369111294 /nfs/dbraw/zinc/11/12/94/369111294.db2.gz GHRKXAVFRHKQCL-JTQLQIEISA-N 1 0 222.292 0.199 10 0 BCAERO [NH3+]CCN1CCCO[C@H](C(F)(F)F)C1 ZINC000616682329 369111362 /nfs/dbraw/zinc/11/13/62/369111362.db2.gz YONSXIRHGKRSRK-ZETCQYMHSA-N 1 0 212.215 0.598 10 0 BCAERO CC(=O)[C@@H]1CN(CC[NH3+])c2ccccc2N1 ZINC000616692046 369114267 /nfs/dbraw/zinc/11/42/67/369114267.db2.gz JXXJSZBKPHRMFZ-NSHDSACASA-N 1 0 219.288 0.835 10 0 BCAERO [NH3+]CCN1CCc2ccccc2[C@@H]1c1conn1 ZINC000616692382 369114867 /nfs/dbraw/zinc/11/48/67/369114867.db2.gz OYVLAIDDGKOPCP-CYBMUJFWSA-N 1 0 244.298 0.976 10 0 BCAERO [NH3+]C[C@H]1CC[C@@H](COc2cccnc2)O1 ZINC000052646572 181466158 /nfs/dbraw/zinc/46/61/58/181466158.db2.gz XBKOPTVQOLARFM-KOLCDFICSA-N 1 0 208.261 0.967 10 0 BCAERO [NH3+]C[C@H]1CCCN1C(=O)c1cnns1 ZINC000082641876 181461174 /nfs/dbraw/zinc/46/11/74/181461174.db2.gz DTEWWGLYGQWXMT-ZCFIWIBFSA-N 1 0 212.278 0.101 10 0 BCAERO CCS(=O)(=O)N1CCC[NH2+]C[C@@H]1C ZINC000106886980 369214162 /nfs/dbraw/zinc/21/41/62/369214162.db2.gz MHHFIYKMLYTWJK-QMMMGPOBSA-N 1 0 206.311 0.020 10 0 BCAERO Cc1cnccc1C[NH2+][C@H]1CCOC[C@@H]1O ZINC000623766928 369214208 /nfs/dbraw/zinc/21/42/08/369214208.db2.gz NUBPQZNTJMXXRG-RYUDHWBXSA-N 1 0 222.288 0.629 10 0 BCAERO CCS(=O)(=O)N1CC[NH2+][C@@H](C)CC1 ZINC000106886988 369214782 /nfs/dbraw/zinc/21/47/82/369214782.db2.gz KVGGRFGDZXHQAV-QMMMGPOBSA-N 1 0 206.311 0.020 10 0 BCAERO CC[C@H](C)NC(=O)CN1C[C@H](C)[C@H](C[NH3+])C1 ZINC000631843365 369374179 /nfs/dbraw/zinc/37/41/79/369374179.db2.gz MVVCZWBBKKFDMO-GARJFASQSA-N 1 0 227.352 0.428 10 0 BCAERO C[C@@H]1C[C@H](NC(=O)[C@H]2CCC[C@@H]([NH3+])C2)CO1 ZINC000402036609 369376847 /nfs/dbraw/zinc/37/68/47/369376847.db2.gz GWBKDHMINQHRGF-YTWAJWBKSA-N 1 0 226.320 0.798 10 0 BCAERO COc1cccc(C[NH2+][C@H]2CCOC[C@H]2O)n1 ZINC000623767572 369398163 /nfs/dbraw/zinc/39/81/63/369398163.db2.gz YAWBOQHLCSMBJB-WDEREUQCSA-N 1 0 238.287 0.330 10 0 BCAERO CCCn1nccc1C[NH2+][C@@H]1CCOC[C@@H]1O ZINC000623767701 369402677 /nfs/dbraw/zinc/40/26/77/369402677.db2.gz ZZKDUDSOWPHVCK-NEPJUHHUSA-N 1 0 239.319 0.533 10 0 BCAERO CCCn1nccc1C[NH2+][C@H]1CCOC[C@H]1O ZINC000623767702 369402802 /nfs/dbraw/zinc/40/28/02/369402802.db2.gz ZZKDUDSOWPHVCK-NWDGAFQWSA-N 1 0 239.319 0.533 10 0 BCAERO CC(C)[C@H](C)C(=O)N1CC[C@H]2OCC[NH2+][C@H]2C1 ZINC000403999631 369417298 /nfs/dbraw/zinc/41/72/98/369417298.db2.gz MLQXBERXMMQMEU-SDDRHHMPSA-N 1 0 240.347 0.868 10 0 BCAERO c1cc(CN2CC[C@H]3OCC[NH2+][C@@H]3C2)on1 ZINC000404114354 369420321 /nfs/dbraw/zinc/42/03/21/369420321.db2.gz BWCWHLRTRUELTQ-GHMZBOCLSA-N 1 0 223.276 0.237 10 0 BCAERO COC(=O)c1ccc(C[NH2+]CC2CC(O)C2)o1 ZINC000091524760 369423780 /nfs/dbraw/zinc/42/37/80/369423780.db2.gz YUHISOVAFISTKV-UHFFFAOYSA-N 1 0 239.271 0.927 10 0 BCAERO CC(C)n1nnnc1CN1C[C@H]([NH3+])C[C@@H]1C ZINC000631862207 369486158 /nfs/dbraw/zinc/48/61/58/369486158.db2.gz NDXJHWCOEBOHDJ-DTWKUNHWSA-N 1 0 224.312 0.176 10 0 BCAERO COC(=O)[C@@H]1CC[N@@H+]([C@@H]2CCC[C@H]2O)C1 ZINC000250365069 369513869 /nfs/dbraw/zinc/51/38/69/369513869.db2.gz IVCSPBKEXMJWOE-OPRDCNLKSA-N 1 0 213.277 0.395 10 0 BCAERO [NH3+]Cc1ccc(Cn2cncn2)c(F)c1 ZINC000019393772 181483589 /nfs/dbraw/zinc/48/35/89/181483589.db2.gz BPEIELIYAJZSDZ-UHFFFAOYSA-N 1 0 206.224 0.924 10 0 BCAERO [NH3+]Cc1cccc(CN2CCCS2(=O)=O)c1 ZINC000036201993 181487510 /nfs/dbraw/zinc/48/75/10/181487510.db2.gz AIMCVCSLVZPZFV-UHFFFAOYSA-N 1 0 240.328 0.681 10 0 BCAERO COC(=O)CCCN(C)C(=O)[C@@H]1CC[NH2+]C1 ZINC000062114973 369969915 /nfs/dbraw/zinc/96/99/15/369969915.db2.gz VVIGMPBKKSBTQJ-SECBINFHSA-N 1 0 228.292 0.008 10 0 BCAERO COC(=O)CCN1CC[C@@H]([NH+](C)C)C1 ZINC000062966216 370114807 /nfs/dbraw/zinc/11/48/07/370114807.db2.gz WBWXCPVMNOTMLF-SECBINFHSA-N 1 0 200.282 0.185 10 0 BCAERO C[C@H]([NH3+])Cn1nncc1Br ZINC000215240527 370170701 /nfs/dbraw/zinc/17/07/01/370170701.db2.gz ACEJPJUALWMUAP-BYPYZUCNSA-N 1 0 205.059 0.388 10 0 BCAERO Cc1cc(C[N@@H+]2CCC[C@](O)(C(N)=O)C2)ccn1 ZINC000621294265 370220856 /nfs/dbraw/zinc/22/08/56/370220856.db2.gz YCYYWCGOJAGUEE-CYBMUJFWSA-N 1 0 249.314 0.202 10 0 BCAERO Cc1cc(C[NH2+][C@H]2CCOC[C@H]2O)ccn1 ZINC000623768360 370255979 /nfs/dbraw/zinc/25/59/79/370255979.db2.gz SZJHTZBQDVCBRL-NWDGAFQWSA-N 1 0 222.288 0.629 10 0 BCAERO O=C(NCC[C@H]1CC1(F)F)[C@@H]1C[NH2+]CCOC1 ZINC000621675039 370426999 /nfs/dbraw/zinc/42/69/99/370426999.db2.gz MIYDJRYSNDPHRS-BDAKNGLRSA-N 1 0 248.273 0.384 10 0 BCAERO O=C(NCC[C@H]1CC1(F)F)[C@H]1CC[NH2+]C1 ZINC000621670451 370419044 /nfs/dbraw/zinc/41/90/44/370419044.db2.gz NWQHIFFWYBTJMT-YUMQZZPRSA-N 1 0 218.247 0.757 10 0 BCAERO [NH3+]Cc1nccnc1OCC1CCOCC1 ZINC000054378757 181505079 /nfs/dbraw/zinc/50/50/79/181505079.db2.gz NCGKRCNEJMKYOO-UHFFFAOYSA-N 1 0 223.276 0.741 10 0 BCAERO CC(C)(C)OC(=O)NC(=O)N1CC[NH2+]CC1 ZINC000079124394 370625315 /nfs/dbraw/zinc/62/53/15/370625315.db2.gz MZPJOZZZQUWJHX-UHFFFAOYSA-N 1 0 229.280 0.536 10 0 BCAERO Oc1cccc(C[NH2+][C@H]2CCOC[C@H]2O)c1 ZINC000623764207 371085999 /nfs/dbraw/zinc/08/59/99/371085999.db2.gz AHCXQTHQOILWOT-NWDGAFQWSA-N 1 0 223.272 0.632 10 0 BCAERO Oc1cccc(C[NH2+][C@@H]2CCOC[C@@H]2O)c1 ZINC000623764206 371086021 /nfs/dbraw/zinc/08/60/21/371086021.db2.gz AHCXQTHQOILWOT-NEPJUHHUSA-N 1 0 223.272 0.632 10 0 BCAERO Cn1nncc1CN(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000328632958 371132894 /nfs/dbraw/zinc/13/28/94/371132894.db2.gz LPYZHJJOOWHPDT-JTQLQIEISA-N 1 0 235.335 0.532 10 0 BCAERO COC[C@@H](C)[NH2+][C@H]1CCc2nnc(C)n2C1 ZINC000390410493 371199923 /nfs/dbraw/zinc/19/99/23/371199923.db2.gz DRFDZPIEIVYCST-SCZZXKLOSA-N 1 0 224.308 0.526 10 0 BCAERO CCSCC[NH2+]C1CCN(CCO)CC1 ZINC000389854942 371178096 /nfs/dbraw/zinc/17/80/96/371178096.db2.gz ALJNXSHAIDWGEH-UHFFFAOYSA-N 1 0 232.393 0.786 10 0 BCAERO COC(=O)[C@@H]1CCC[C@@H]1[NH2+]CC1(O)CCC1 ZINC000390465850 371205447 /nfs/dbraw/zinc/20/54/47/371205447.db2.gz HTMPZADHWRJJOB-ZJUUUORDSA-N 1 0 227.304 0.833 10 0 BCAERO Cc1nnc2n1C[C@@H]([NH2+]CC(C)(C)O)CC2 ZINC000390590184 371218379 /nfs/dbraw/zinc/21/83/79/371218379.db2.gz ZDQNGSHNJODELP-VIFPVBQESA-N 1 0 224.308 0.262 10 0 BCAERO [NH3+][C@@H](O)[C@H](CCO)C(=O)OCc1ccccc1 ZINC000071186796 181561788 /nfs/dbraw/zinc/56/17/88/181561788.db2.gz BPCZLGWEYJOEGX-QWRGUYRKSA-N 1 0 239.271 0.006 10 0 BCAERO [NH3+][C@@H]1C[C@H](N[C@@H]2CCCNC2=O)c2ccccc21 ZINC000132082268 181599603 /nfs/dbraw/zinc/59/96/03/181599603.db2.gz QOUKPKPKKGJBLQ-UPJWGTAASA-N 1 0 245.326 0.999 10 0 BCAERO [NH3+][C@H]1CS(=O)(=O)C[C@H]1N1CCCCCCC1 ZINC000054492876 181656022 /nfs/dbraw/zinc/65/60/22/181656022.db2.gz IZMJVWIVOVNJBH-WDEREUQCSA-N 1 0 246.376 0.377 10 0 BCAERO [NH3+][C@H]1COc2cc(O[C@H]3CCOC3=O)ccc21 ZINC000062803702 181656737 /nfs/dbraw/zinc/65/67/37/181656737.db2.gz DTSXZJISAGBRSX-UWVGGRQHSA-N 1 0 235.239 0.773 10 0 BCAERO [NH3+][C@H]1CCCC[C@H]1NC(=O)c1cnns1 ZINC000038048724 181642596 /nfs/dbraw/zinc/64/25/96/181642596.db2.gz PNRFQOYQRJWKJF-NKWVEPMBSA-N 1 0 226.305 0.538 10 0 BCAERO [NH3+][C@H]1CCCN(C(=O)[C@@H]2CCCS2)C1 ZINC000069986575 181643922 /nfs/dbraw/zinc/64/39/22/181643922.db2.gz RGLINTZXOFMOCH-IUCAKERBSA-N 1 0 214.334 0.832 10 0 BCAERO [NH3+][C@H]1CCCN(CC(=O)c2cnccn2)C1 ZINC000095072363 181644102 /nfs/dbraw/zinc/64/41/02/181644102.db2.gz BCGDZUQFMBKACE-VIFPVBQESA-N 1 0 220.276 0.082 10 0 BCAERO [NH3+][C@H]1CCC[C@H](C(=O)N2CCC(CO)CC2)C1 ZINC000055086542 181647143 /nfs/dbraw/zinc/64/71/43/181647143.db2.gz MBERTJYIEYAXOK-RYUDHWBXSA-N 1 0 240.347 0.735 10 0 BCAERO Nc1cc(N)nc(S[C@@H]2CC[NH2+]C2)n1 ZINC000051784244 181689525 /nfs/dbraw/zinc/68/95/25/181689525.db2.gz FJQVYUQBABIJPS-RXMQYKEDSA-N 1 0 211.294 0.095 10 0 BCAERO CCN1CCC([NH2+][C@@H]2CCOC[C@@H]2O)CC1 ZINC000624234967 371421433 /nfs/dbraw/zinc/42/14/33/371421433.db2.gz AFMPWSIVBWDWCA-NEPJUHHUSA-N 1 0 228.336 0.210 10 0 BCAERO COC[C@H]([NH2+][C@H]1CCOC[C@@H]1O)C1CC1 ZINC000624236480 371424044 /nfs/dbraw/zinc/42/40/44/371424044.db2.gz DEJJXALGJXYPSJ-DCAQKATOSA-N 1 0 215.293 0.151 10 0 BCAERO CC[C@H]([NH2+][C@@H]1CCOC[C@@H]1O)[C@H]1CCOC1 ZINC000624237123 371425032 /nfs/dbraw/zinc/42/50/32/371425032.db2.gz QBMMUZCVDHTQQR-YFKTTZPYSA-N 1 0 229.320 0.541 10 0 BCAERO Cc1nccnc1[C@H](C)[NH2+][C@H]1CCOC[C@H]1O ZINC000624237768 371426381 /nfs/dbraw/zinc/42/63/81/371426381.db2.gz DHBWNCJHDBOVMK-GARJFASQSA-N 1 0 237.303 0.585 10 0 BCAERO C[C@H]([NH2+][C@@H]1CCOC[C@@H]1O)c1ccnn1C ZINC000624237926 371426398 /nfs/dbraw/zinc/42/63/98/371426398.db2.gz HGMFIACMFUNTJG-NGZCFLSTSA-N 1 0 225.292 0.221 10 0 BCAERO C[C@H]([NH2+][C@@H]1CCOC[C@@H]1O)[C@@H]1CCCCO1 ZINC000624239950 371429014 /nfs/dbraw/zinc/42/90/14/371429014.db2.gz XWUYDZCTSMPFFA-USZNOCQGSA-N 1 0 229.320 0.683 10 0 BCAERO Nc1cc[nH+]c(N[C@H]2CCCNC2=O)c1 ZINC000050397304 181764125 /nfs/dbraw/zinc/76/41/25/181764125.db2.gz SQNALMWLIKPIEL-QMMMGPOBSA-N 1 0 206.249 0.354 10 0 BCAERO CC(C)S(=O)(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000226461481 371505445 /nfs/dbraw/zinc/50/54/45/371505445.db2.gz GDOCXARRAMVOCY-SECBINFHSA-N 1 0 220.338 0.456 10 0 BCAERO CNC(=O)CO[C@H]1CCCCC[C@@H]1[NH3+] ZINC000131149324 371563443 /nfs/dbraw/zinc/56/34/43/371563443.db2.gz GQTBIJFEOMLLJC-IUCAKERBSA-N 1 0 200.282 0.409 10 0 BCAERO C[NH2+]C[C@](C)(O)C(F)(F)Br ZINC000225682362 371566031 /nfs/dbraw/zinc/56/60/31/371566031.db2.gz YRODKGSMMQNFQD-BYPYZUCNSA-N 1 0 218.041 0.945 10 0 BCAERO [NH3+]C1(C(=O)NCc2cncs2)CCC1 ZINC000131508059 371612109 /nfs/dbraw/zinc/61/21/09/371612109.db2.gz GNSLLDZJVPSSKI-UHFFFAOYSA-N 1 0 211.290 0.641 10 0 BCAERO Nc1n[nH]c(SCC2CC[NH2+]CC2)n1 ZINC000043498277 181787945 /nfs/dbraw/zinc/78/79/45/181787945.db2.gz QTHUFRXSQCIPMM-UHFFFAOYSA-N 1 0 213.310 0.479 10 0 BCAERO CC(C)C(=O)N1C[C@@H](C[NH3+])O[C@@H](C)C1 ZINC000230058524 371642487 /nfs/dbraw/zinc/64/24/87/371642487.db2.gz CYGBVCRMRJKDEW-DTWKUNHWSA-N 1 0 200.282 0.217 10 0 BCAERO [NH3+]C[C@@H]([C@@H]1CCSC1)N1CCOCC1 ZINC000215875182 371649585 /nfs/dbraw/zinc/64/95/85/371649585.db2.gz QBFHPLIXSRFREU-ZJUUUORDSA-N 1 0 216.350 0.399 10 0 BCAERO Cn1cc(CC(=O)[C@@H]2CC[C@H]([NH3+])C2)cn1 ZINC000226603042 371705149 /nfs/dbraw/zinc/70/51/49/371705149.db2.gz GOKKXQZBFAYGJB-ZJUUUORDSA-N 1 0 207.277 0.659 10 0 BCAERO CCn1nccc1C(=O)[C@H]1COC[C@@H]1[NH3+] ZINC000226608106 371706129 /nfs/dbraw/zinc/70/61/29/371706129.db2.gz IQAXPWBXVLTVGQ-YUMQZZPRSA-N 1 0 209.249 0.059 10 0 BCAERO Brc1cnnn1C[C@@H]1CCC[NH2+]1 ZINC000216725496 371794193 /nfs/dbraw/zinc/79/41/93/371794193.db2.gz UVTIZYNEVVHTME-LURJTMIESA-N 1 0 231.097 0.793 10 0 BCAERO CCC[C@H](O)[C@H]1CN(C)CCC[N@@H+]1C ZINC000132278906 371783333 /nfs/dbraw/zinc/78/33/33/371783333.db2.gz POLJTSHNDHCPAE-MNOVXSKESA-N 1 0 200.326 0.783 10 0 BCAERO Brc1cnnn1C1CC[NH2+]CC1 ZINC000216725620 371795678 /nfs/dbraw/zinc/79/56/78/371795678.db2.gz MIXJWORTXGBYTM-UHFFFAOYSA-N 1 0 231.097 0.965 10 0 BCAERO Cc1c(C[NH2+]CCc2cncn2C)cnn1C ZINC000401796372 371820823 /nfs/dbraw/zinc/82/08/23/371820823.db2.gz JOVHKAJGPCXQDF-UHFFFAOYSA-N 1 0 233.319 0.794 10 0 BCAERO Nc1nnc(SC[C@@H]2CC[NH2+]C2)s1 ZINC000051891088 181814222 /nfs/dbraw/zinc/81/42/22/181814222.db2.gz PIEHMFUWNFLNSV-RXMQYKEDSA-N 1 0 216.335 0.822 10 0 BCAERO C[C@@H](CC(N)=S)[N@@H+]1CC[C@@H](C)[C@@H](O)C1 ZINC000230253056 371878459 /nfs/dbraw/zinc/87/84/59/371878459.db2.gz BEBHBDDEXCOXJD-VGMNWLOBSA-N 1 0 216.350 0.754 10 0 BCAERO Cc1csc([C@@H](C)N2C[C@H]([NH3+])C2=O)n1 ZINC000227626473 371908266 /nfs/dbraw/zinc/90/82/66/371908266.db2.gz HOGAPAOSZXQUSD-RQJHMYQMSA-N 1 0 211.290 0.682 10 0 BCAERO COC(=O)c1coc(C[NH2+]CC2CC(O)C2)c1 ZINC000228175330 372000279 /nfs/dbraw/zinc/00/02/79/372000279.db2.gz VCBXTZUNLQSIRY-UHFFFAOYSA-N 1 0 239.271 0.927 10 0 BCAERO C[C@H](C[NH3+])S(=O)(=O)N1CCCC[C@@H]1C ZINC000227884617 371955267 /nfs/dbraw/zinc/95/52/67/371955267.db2.gz CHCVWWYJNAMZRX-DTWKUNHWSA-N 1 0 220.338 0.538 10 0 BCAERO C[C@@H]([NH3+])[C@@H]1CN(CC(F)(F)F)CCO1 ZINC000133321229 372022299 /nfs/dbraw/zinc/02/22/99/372022299.db2.gz HXDWYJLBHITOMP-RQJHMYQMSA-N 1 0 212.215 0.597 10 0 BCAERO C[C@@H](CO)N1CC[S@@](=O)C(C)(C)CC1 ZINC000306479277 372024184 /nfs/dbraw/zinc/02/41/84/372024184.db2.gz HYMXBEBAMDEECA-LKFCYVNXSA-N 1 0 219.350 0.600 10 0 BCAERO C[C@H](CO)N1CC[S@@](=O)C(C)(C)CC1 ZINC000306479281 372024210 /nfs/dbraw/zinc/02/42/10/372024210.db2.gz HYMXBEBAMDEECA-YMTOWFKASA-N 1 0 219.350 0.600 10 0 BCAERO Cc1nnc([C@@](C)(C[NH3+])[C@H](C)O)s1 ZINC000306537239 372031972 /nfs/dbraw/zinc/03/19/72/372031972.db2.gz RCLSPRJVUMXTQP-XNCJUZBTSA-N 1 0 201.295 0.444 10 0 BCAERO Cc1ncsc1NC(=O)[C@H]1CC[NH2+]C1 ZINC000306553597 372035733 /nfs/dbraw/zinc/03/57/33/372035733.db2.gz GQZMMJXPRJCRQI-ZETCQYMHSA-N 1 0 211.290 1.000 10 0 BCAERO C[NH2+][C@H]1CCN(C[C@H]2CCSC2)C1=O ZINC000228576718 372049951 /nfs/dbraw/zinc/04/99/51/372049951.db2.gz AWTURRFPNVSXLX-BDAKNGLRSA-N 1 0 214.334 0.560 10 0 BCAERO C[NH2+][C@H]1CCN(C[C@@H]2CCSC2)C1=O ZINC000228576707 372050166 /nfs/dbraw/zinc/05/01/66/372050166.db2.gz AWTURRFPNVSXLX-IUCAKERBSA-N 1 0 214.334 0.560 10 0 BCAERO [NH3+][C@H]1CC(=O)N(C[C@@H]2CCSC2)C1 ZINC000228602868 372054616 /nfs/dbraw/zinc/05/46/16/372054616.db2.gz NAGOYMVNAYPZAW-YUMQZZPRSA-N 1 0 200.307 0.299 10 0 BCAERO CC[C@H]([NH3+])C(=O)N1CCCOC[C@@H]1C ZINC000306691749 372056536 /nfs/dbraw/zinc/05/65/36/372056536.db2.gz QNYFVIDONUMTRT-IUCAKERBSA-N 1 0 200.282 0.361 10 0 BCAERO O=[S@](C[C@H]1C[NH2+]CCO1)C1CCCC1 ZINC000307276138 372105809 /nfs/dbraw/zinc/10/58/09/372105809.db2.gz USPHBSILSBXULQ-YMTOWFKASA-N 1 0 217.334 0.666 10 0 BCAERO [NH3+]C[C@@H]1CN(C/C(Cl)=C\Cl)CCO1 ZINC000229012086 372106090 /nfs/dbraw/zinc/10/60/90/372106090.db2.gz ORZLPMWUDKWTAG-HOOMWESVSA-N 1 0 225.119 0.965 10 0 BCAERO [NH3+]CC(=O)Nc1ccnc(Br)c1 ZINC000307321210 372111266 /nfs/dbraw/zinc/11/12/66/372111266.db2.gz QBJAVMYKRLELQH-UHFFFAOYSA-N 1 0 230.065 0.741 10 0 BCAERO [NH3+]CCC(=O)Nc1cnc(Br)cn1 ZINC000307348019 372114540 /nfs/dbraw/zinc/11/45/40/372114540.db2.gz YAWRKWYYOJYACW-UHFFFAOYSA-N 1 0 245.080 0.526 10 0 BCAERO C[C@@H]1CN(S(C)(=O)=O)[C@H](C)[C@H](C)[NH2+]1 ZINC000404338438 372081912 /nfs/dbraw/zinc/08/19/12/372081912.db2.gz DAGPSVCKGHHQRV-GJMOJQLCSA-N 1 0 206.311 0.017 10 0 BCAERO C[C@H](C[NH3+])N1CCCC2(C1)OCCO2 ZINC000133723687 372097776 /nfs/dbraw/zinc/09/77/76/372097776.db2.gz LOLDGCSOECZSBR-SECBINFHSA-N 1 0 200.282 0.173 10 0 BCAERO c1snnc1CNC1=[NH+]CCS1 ZINC000307643396 372134113 /nfs/dbraw/zinc/13/41/13/372134113.db2.gz LNMGJHWQDUKQLU-UHFFFAOYSA-N 1 0 200.292 0.731 10 0 BCAERO C[C@H]1C[NH2+]CCCN(CC[S@@](C)=O)C1 ZINC000229272915 372136230 /nfs/dbraw/zinc/13/62/30/372136230.db2.gz CJQUGCOSVXCBLG-IINYFYTJSA-N 1 0 218.366 0.296 10 0 BCAERO CCCCCCC[NH2+]C(CO)(CO)CO ZINC000229306705 372138835 /nfs/dbraw/zinc/13/88/35/372138835.db2.gz HRGBYTWADMHFQP-UHFFFAOYSA-N 1 0 219.325 0.262 10 0 BCAERO C[C@@H]([NH3+])Cn1cc(Br)ccc1=O ZINC000059112688 372142668 /nfs/dbraw/zinc/14/26/68/372142668.db2.gz AMMAZLTXQSKFRH-ZCFIWIBFSA-N 1 0 231.093 0.958 10 0 BCAERO NC(=O)[C@H]([NH3+])C[C@@H]1CCC2(CCCC2)O1 ZINC000229325332 372142718 /nfs/dbraw/zinc/14/27/18/372142718.db2.gz QDDKVTZMTZGZOD-DTWKUNHWSA-N 1 0 212.293 0.681 10 0 BCAERO NC(=O)[C@H]([NH3+])C[C@H]1CCC2(CCCC2)O1 ZINC000229325352 372142913 /nfs/dbraw/zinc/14/29/13/372142913.db2.gz QDDKVTZMTZGZOD-RKDXNWHRSA-N 1 0 212.293 0.681 10 0 BCAERO CC[N@@H+]1C[C@@H](C)[C@@H](NC(=S)NC)C1 ZINC000307759634 372143623 /nfs/dbraw/zinc/14/36/23/372143623.db2.gz SLLDSVYJZVNLQH-SFYZADRCSA-N 1 0 201.339 0.421 10 0 BCAERO O=C(C1CC[NH2+]CC1)N1CCCC[C@@H]1CO ZINC000036135428 181871015 /nfs/dbraw/zinc/87/10/15/181871015.db2.gz UAIITUAHANFRGH-LLVKDONJSA-N 1 0 226.320 0.359 10 0 BCAERO O=C(C1CC[NH2+]CC1)N1CCCC[C@H]1CCO ZINC000019409208 181871568 /nfs/dbraw/zinc/87/15/68/181871568.db2.gz NVNCMTUQSVDRCP-LBPRGKRZSA-N 1 0 240.347 0.750 10 0 BCAERO C[C@@H]1C[C@H](C)[C@@H](C)[N@H+](C[C@@H](N)C(N)=O)C1 ZINC000229446679 372153029 /nfs/dbraw/zinc/15/30/29/372153029.db2.gz VOFKIGGBFHALLK-UTINFBMNSA-N 1 0 213.325 0.165 10 0 BCAERO [NH3+][C@@H]1CCN(C[C@H]2CSCCS2)C1=O ZINC000229613843 372172811 /nfs/dbraw/zinc/17/28/11/372172811.db2.gz RVPZZHRNYOQUTR-JGVFFNPUSA-N 1 0 232.374 0.395 10 0 BCAERO O=S1CCC([NH2+]Cc2cnco2)CC1 ZINC000229178370 372125363 /nfs/dbraw/zinc/12/53/63/372125363.db2.gz QNJPAYLBTRQPFE-UHFFFAOYSA-N 1 0 214.290 0.675 10 0 BCAERO COCc1nc(CN[C@@H]2COC[C@@H]2O)cs1 ZINC000631200118 372231520 /nfs/dbraw/zinc/23/15/20/372231520.db2.gz DCKHNNPMYBXZMP-BDAKNGLRSA-N 1 0 244.316 0.139 10 0 BCAERO Cc1nccnc1CN1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631836845 372625721 /nfs/dbraw/zinc/62/57/21/372625721.db2.gz HWRDZIRAFKDDQG-ONGXEEELSA-N 1 0 220.320 0.812 10 0 BCAERO CC(C)n1nnnc1CN1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631838366 372632207 /nfs/dbraw/zinc/63/22/07/372632207.db2.gz NAXPUYPVEZSIBT-UWVGGRQHSA-N 1 0 238.339 0.281 10 0 BCAERO C[C@H]1CN(CC(=O)N(C)C2CC2)C[C@H]1C[NH3+] ZINC000631838598 372634119 /nfs/dbraw/zinc/63/41/19/372634119.db2.gz QYMTZHKKKOGMDU-VHSXEESVSA-N 1 0 225.336 0.134 10 0 BCAERO CCc1nc(CN2C[C@@H](C)[C@@H](C[NH3+])C2)no1 ZINC000631841240 372639151 /nfs/dbraw/zinc/63/91/51/372639151.db2.gz IJIZOVHNQXXQQJ-BDAKNGLRSA-N 1 0 224.308 0.659 10 0 BCAERO CC(C)NC(=O)CN1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631843206 372641317 /nfs/dbraw/zinc/64/13/17/372641317.db2.gz KKXWFUZUQRUMQM-ZJUUUORDSA-N 1 0 213.325 0.038 10 0 BCAERO CC(C)S(=O)(=O)CCCN1C[C@@H]([NH3+])C[C@@H]1C ZINC000631861074 372661297 /nfs/dbraw/zinc/66/12/97/372661297.db2.gz VDCMZFRQPQJFOV-QWRGUYRKSA-N 1 0 248.392 0.621 10 0 BCAERO C[C@H]1CN(S(=O)(=O)CCC2CC2)C[C@@H]1C[NH3+] ZINC000631965888 372706650 /nfs/dbraw/zinc/70/66/50/372706650.db2.gz JKZSGHPRVPMSAK-ONGXEEELSA-N 1 0 246.376 0.643 10 0 BCAERO O=C(C[NH2+]C1CC1)N1CCO[C@H]2CCCC[C@H]21 ZINC000037815456 181974411 /nfs/dbraw/zinc/97/44/11/181974411.db2.gz KYKZXWMDJMERGI-NEPJUHHUSA-N 1 0 238.331 0.908 10 0 BCAERO O=C(C[NH2+]C1CCCC1)N1CCC[C@H](CO)C1 ZINC000037626483 181976568 /nfs/dbraw/zinc/97/65/68/181976568.db2.gz KZNHMLIMGBBFNN-NSHDSACASA-N 1 0 240.347 0.750 10 0 BCAERO O=C(COC1CC[NH2+]CC1)N[C@@H]1CCCOC1 ZINC000104385413 181995874 /nfs/dbraw/zinc/99/58/74/181995874.db2.gz LIBCNZSHFWONLJ-SNVBAGLBSA-N 1 0 242.319 0.050 10 0 BCAERO CCOC(=O)[C@@H]1C[N@@H+](C(C)(C)C)CCN1 ZINC000039169641 372891825 /nfs/dbraw/zinc/89/18/25/372891825.db2.gz GDXARGDLBLJELV-VIFPVBQESA-N 1 0 214.309 0.622 10 0 BCAERO O=C(C[C@@H]1CCCC[NH2+]1)N1CCC(CO)CC1 ZINC000036721179 182016442 /nfs/dbraw/zinc/01/64/42/182016442.db2.gz FCIHTJYPJNDYHZ-LBPRGKRZSA-N 1 0 240.347 0.750 10 0 BCAERO O=C(C[C@@H]1CCCC[NH2+]1)N1CCC[C@@H](O)C1 ZINC000042471064 182017126 /nfs/dbraw/zinc/01/71/26/182017126.db2.gz HRUIYJCWEDMEJG-WDEREUQCSA-N 1 0 226.320 0.502 10 0 BCAERO O=C(C[C@@H]1CCC[NH2+]1)NC1CCC(O)CC1 ZINC000042165359 182017707 /nfs/dbraw/zinc/01/77/07/182017707.db2.gz VOXGVABZUYHIGP-YVNMAJEFSA-N 1 0 226.320 0.548 10 0 BCAERO O=C(C[C@@H]1CCC[NH2+]1)N1CCC[C@H](O)C1 ZINC000048756119 182017879 /nfs/dbraw/zinc/01/78/79/182017879.db2.gz NWSVHNYPRHPDDN-UWVGGRQHSA-N 1 0 212.293 0.112 10 0 BCAERO O=C(C[C@H]1CCC[NH2+]1)NC1(CO)CCCC1 ZINC000053071979 182026821 /nfs/dbraw/zinc/02/68/21/182026821.db2.gz NDUPKOUMVMJBFY-SNVBAGLBSA-N 1 0 226.320 0.550 10 0 BCAERO C[NH2+][C@@H]1CCC2(C[C@@H]1N1CCCC1)OCCO2 ZINC000039384616 372960329 /nfs/dbraw/zinc/96/03/29/372960329.db2.gz CERNGLBORHTCEL-NEPJUHHUSA-N 1 0 240.347 0.966 10 0 BCAERO O=C(Cc1ccc(O)cc1)N1CCC[NH2+]CC1 ZINC000020426033 182036809 /nfs/dbraw/zinc/03/68/09/182036809.db2.gz XYZOXFRBLODQIQ-UHFFFAOYSA-N 1 0 234.299 0.757 10 0 BCAERO CCS(=O)(=O)N1[C@H](C)C[NH2+]C[C@H]1C ZINC000068914046 373088516 /nfs/dbraw/zinc/08/85/16/373088516.db2.gz DGPVMNXUMGKNHN-HTQZYQBOSA-N 1 0 206.311 0.018 10 0 BCAERO [NH2+]=C(N[C@H]1CCCS(=O)(=O)C1)C1CC1 ZINC000068942158 373094134 /nfs/dbraw/zinc/09/41/34/373094134.db2.gz PGQMWYYNNRAWNE-QMMMGPOBSA-N 1 0 216.306 0.540 10 0 BCAERO O=C(N1CC[NH2+]CC1)N1CCCSCC1 ZINC000042443826 182081900 /nfs/dbraw/zinc/08/19/00/182081900.db2.gz QSAKFGMGBFREDP-UHFFFAOYSA-N 1 0 229.349 0.451 10 0 BCAERO O=C(N1CC[NH2+]CC1)N1CCSCC1 ZINC000020257202 182082144 /nfs/dbraw/zinc/08/21/44/182082144.db2.gz XZXPSJJGHQGSRC-UHFFFAOYSA-N 1 0 215.322 0.060 10 0 BCAERO O=C(NC1(CO)CCCCC1)[C@H]1CC[NH2+]C1 ZINC000062116875 182090375 /nfs/dbraw/zinc/09/03/75/182090375.db2.gz LFGZZMZKNBAFIP-JTQLQIEISA-N 1 0 226.320 0.407 10 0 BCAERO O=C(NC1(CO)CCCC1)[C@H]1CCC[NH2+]1 ZINC000053072002 182090662 /nfs/dbraw/zinc/09/06/62/182090662.db2.gz JZELKXXZVDZKIZ-SECBINFHSA-N 1 0 212.293 0.160 10 0 BCAERO NC(=O)[C@]1([NH3+])CCC[C@H](C(F)(F)F)C1 ZINC000069384734 373261805 /nfs/dbraw/zinc/26/18/05/373261805.db2.gz CBLUKYPJMBDPBL-FSPLSTOPSA-N 1 0 210.199 0.922 10 0 BCAERO O=C(NC1(CO)CCCC1)[C@@H]1CCCC[NH2+]1 ZINC000053072005 182091014 /nfs/dbraw/zinc/09/10/14/182091014.db2.gz WQLUQYYPOVUACK-JTQLQIEISA-N 1 0 226.320 0.550 10 0 BCAERO NC(=O)[C@@]1([NH3+])CCC[C@H](C(F)(F)F)C1 ZINC000069384744 373262224 /nfs/dbraw/zinc/26/22/24/373262224.db2.gz CBLUKYPJMBDPBL-CAHLUQPWSA-N 1 0 210.199 0.922 10 0 BCAERO O=C(NC1CCC1)N[C@H]1CCCC[NH2+]C1 ZINC000128002350 182105433 /nfs/dbraw/zinc/10/54/33/182105433.db2.gz JTONIPHHDLMSDG-JTQLQIEISA-N 1 0 211.309 0.980 10 0 BCAERO CC[N@@H+]1CCC[C@@H](NC2CC[NH2+]CC2)C1 ZINC000040503012 373360597 /nfs/dbraw/zinc/36/05/97/373360597.db2.gz HOOCJUHZYZCCOD-GFCCVEGCSA-N 1 0 211.353 0.812 10 0 BCAERO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CCCO1 ZINC000040740623 182118994 /nfs/dbraw/zinc/11/89/94/182118994.db2.gz DMPDLDNNAQKQIF-IXMYILBSSA-N 1 0 224.304 0.565 10 0 BCAERO O=C(NC1C[NH2+]C1)C1CCSCC1 ZINC000306534918 182119155 /nfs/dbraw/zinc/11/91/55/182119155.db2.gz JBVBBOBCYBZEOG-UHFFFAOYSA-N 1 0 200.307 0.218 10 0 BCAERO O=C(NC1CC[NH2+]CC1)c1cccc(O)c1 ZINC000022167361 182115664 /nfs/dbraw/zinc/11/56/64/182115664.db2.gz SIIFMNDPCUGJSR-UHFFFAOYSA-N 1 0 220.272 0.874 10 0 BCAERO O=C(NC1CCOCC1)C1CC[NH2+]CC1 ZINC000036319690 182116272 /nfs/dbraw/zinc/11/62/72/182116272.db2.gz YLIXLNSNJMQFND-UHFFFAOYSA-N 1 0 212.293 0.281 10 0 BCAERO Cc1ncsc1CN1CC[C@@H]([NH3+])C1=O ZINC000069606295 373507853 /nfs/dbraw/zinc/50/78/53/373507853.db2.gz PKURQTJYGIOWOA-SSDOTTSWSA-N 1 0 211.290 0.511 10 0 BCAERO CSCC(=O)N[C@H]1CCCC[NH2+]C1 ZINC000069683575 373592643 /nfs/dbraw/zinc/59/26/43/373592643.db2.gz ZFSMACGRXPWNHP-QMMMGPOBSA-N 1 0 202.323 0.608 10 0 BCAERO O=C(NCC1CCSCC1)[C@H]1C[C@H](F)C[NH2+]1 ZINC000336548758 182147739 /nfs/dbraw/zinc/14/77/39/182147739.db2.gz WWOHZGZFNAUNBG-VHSXEESVSA-N 1 0 246.351 0.946 10 0 BCAERO O=C(NCC1CC[NH2+]CC1)c1cn[nH]c1 ZINC000044503597 182148205 /nfs/dbraw/zinc/14/82/05/182148205.db2.gz UVHHMYCYSMMNFL-UHFFFAOYSA-N 1 0 208.265 0.139 10 0 BCAERO COCCC(=O)N1CC[C@H](C)[C@@H]([NH3+])C1 ZINC000069718686 373646869 /nfs/dbraw/zinc/64/68/69/373646869.db2.gz IBGYUTMSSYAWKY-IUCAKERBSA-N 1 0 200.282 0.219 10 0 BCAERO C[C@@H]1CCC[C@H](C[NH3+])N1S(C)(=O)=O ZINC000069722541 373655780 /nfs/dbraw/zinc/65/57/80/373655780.db2.gz XARDGYZFTAOTNH-HTQZYQBOSA-N 1 0 206.311 0.148 10 0 BCAERO O=C(NCC[C@@H]1CCCC[NH2+]1)[C@@H]1CCCO1 ZINC000019474784 182199048 /nfs/dbraw/zinc/19/90/48/182199048.db2.gz WWBNMJRZTUYERX-QWRGUYRKSA-N 1 0 226.320 0.814 10 0 BCAERO O=C(NCC[C@H]1CCCC[NH2+]1)NC1CC1 ZINC000054457106 182200521 /nfs/dbraw/zinc/20/05/21/182200521.db2.gz HDAKOFVUARNZTC-SECBINFHSA-N 1 0 211.309 0.980 10 0 BCAERO O=C(NCCc1ccncc1)[C@H]1CC[NH2+]C1 ZINC000062114262 182209109 /nfs/dbraw/zinc/20/91/09/182209109.db2.gz RVXWGHUUUJEZSK-NSHDSACASA-N 1 0 219.288 0.350 10 0 BCAERO CC(C)[NH2+][C@@]1(C(N)=O)CCO[C@@H](C)C1 ZINC000069893128 373970500 /nfs/dbraw/zinc/97/05/00/373970500.db2.gz RUGIVQZLGMVHKM-WPRPVWTQSA-N 1 0 200.282 0.407 10 0 BCAERO CO[C@H]1C[NH2+]C[C@@H]1N1C(=O)c2ccccc2C1=O ZINC000041158000 374116966 /nfs/dbraw/zinc/11/69/66/374116966.db2.gz TXYBAEXZDPFQPW-QWRGUYRKSA-N 1 0 246.266 0.269 10 0 BCAERO Cc1c(Cl)cnn1C[C@@](C)([NH3+])C(N)=O ZINC000070704460 374180045 /nfs/dbraw/zinc/18/00/45/374180045.db2.gz QMJXRBIQGAAKRW-MRVPVSSYSA-N 1 0 216.672 0.048 10 0 BCAERO O=C(NC[C@H]1CCCOC1)[C@@H]1CC[NH2+]C1 ZINC000062115457 182239307 /nfs/dbraw/zinc/23/93/07/182239307.db2.gz JKYFIYOWSJLHBT-NXEZZACHSA-N 1 0 212.293 0.139 10 0 BCAERO CN(C[C@@H]1CCOCO1)[C@@H]1CC[NH2+]C1 ZINC000070894446 374226187 /nfs/dbraw/zinc/22/61/87/374226187.db2.gz HCGZZLSKQNOLQZ-ZJUUUORDSA-N 1 0 200.282 0.043 10 0 BCAERO O=C(NCc1ccc(O)cc1)[C@@H]1CCC[NH2+]1 ZINC000162959865 182251791 /nfs/dbraw/zinc/25/17/91/182251791.db2.gz FPNKSXRVJHBCIX-NSHDSACASA-N 1 0 220.272 0.760 10 0 BCAERO O=C(NCc1cn[nH]c1)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000038006575 182270411 /nfs/dbraw/zinc/27/04/11/182270411.db2.gz OBDQDKAESMOHGZ-WOPDTQHZSA-N 1 0 248.330 0.947 10 0 BCAERO O=C(N[C@@H]1CCCOC1)[C@@H]1CC12CC[NH2+]CC2 ZINC000070256761 182295274 /nfs/dbraw/zinc/29/52/74/182295274.db2.gz MBYNNXJBZZTTEH-MNOVXSKESA-N 1 0 238.331 0.671 10 0 BCAERO O=C(N[C@H]1CCCOC1)[C@H]1CCCC[NH2+]1 ZINC000071023608 182330472 /nfs/dbraw/zinc/33/04/72/182330472.db2.gz URICTURZKWPDFC-VHSXEESVSA-N 1 0 212.293 0.424 10 0 BCAERO O=C(N[C@H]1CCC[C@H](O)C1)C1CC[NH2+]CC1 ZINC000037000947 182333437 /nfs/dbraw/zinc/33/34/37/182333437.db2.gz SEOGYMBCHHOXHZ-QWRGUYRKSA-N 1 0 226.320 0.406 10 0 BCAERO O=C(N[C@H]1COc2ccccc21)[C@H]1CC[NH2+]1 ZINC000336596674 182342811 /nfs/dbraw/zinc/34/28/11/182342811.db2.gz BKKNSXISFKTHFA-ZJUUUORDSA-N 1 0 218.256 0.598 10 0 BCAERO O=C(Nc1cccc(CO)c1)[C@H]1CCC[NH2+]1 ZINC000035222583 182368627 /nfs/dbraw/zinc/36/86/27/182368627.db2.gz CLOJQFFEWVPOTG-LLVKDONJSA-N 1 0 220.272 0.869 10 0 BCAERO O=C(OC[C@H]1CCOC1)[C@@H]1CCC[NH2+]C1 ZINC000049688413 182604354 /nfs/dbraw/zinc/60/43/54/182604354.db2.gz XZAAXDWBPYKXAW-VHSXEESVSA-N 1 0 213.277 0.566 10 0 BCAERO O=C([C@@H]1CCC[NH2+]C1)N1CCC[C@@H](CO)C1 ZINC000036227425 182616953 /nfs/dbraw/zinc/61/69/53/182616953.db2.gz KTGVYVFGXOTMJG-GHMZBOCLSA-N 1 0 226.320 0.217 10 0 BCAERO O=C([C@H]1CCC[NH2+]C1)N1CCCC[C@H]1CO ZINC000036135439 182635465 /nfs/dbraw/zinc/63/54/65/182635465.db2.gz ZJZNHLBIRKFULD-QWRGUYRKSA-N 1 0 226.320 0.359 10 0 BCAERO O=C(c1ccoc1)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000096054454 182693179 /nfs/dbraw/zinc/69/31/79/182693179.db2.gz PEWLWKKLHCRPGS-VHSXEESVSA-N 1 0 222.244 0.092 10 0 BCAERO O=S(=O)(C[C@@H]1CC[NH2+]C1)c1ccccn1 ZINC000095073231 182889745 /nfs/dbraw/zinc/88/97/45/182889745.db2.gz TVLREICDUDRVGV-SECBINFHSA-N 1 0 226.301 0.465 10 0 BCAERO O=S(=O)(Cc1ccncc1)C[C@H]1CC[NH2+]C1 ZINC000095073254 182890866 /nfs/dbraw/zinc/89/08/66/182890866.db2.gz SIFVOQVMLLHNIY-NSHDSACASA-N 1 0 240.328 0.606 10 0 BCAERO O=S1(=O)CC[C@@H](C[NH2+]C[C@H]2CCOC2)C1 ZINC000038082932 182910346 /nfs/dbraw/zinc/91/03/46/182910346.db2.gz MPJFUJDBTWCBAB-ZJUUUORDSA-N 1 0 233.333 0.047 10 0 BCAERO CCCCS(=O)(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000061883935 168927948 /nfs/dbraw/zinc/92/79/48/168927948.db2.gz XXRKWUNRDULVCY-ZJUUUORDSA-N 1 0 234.365 0.833 10 0 BCAERO O=[S@@](C[C@@H]1CCC[NH2+]C1)c1cnccn1 ZINC000095073604 182963666 /nfs/dbraw/zinc/96/36/66/182963666.db2.gz VSOGTWWUZPPNJO-RFAUZJTJSA-N 1 0 225.317 0.584 10 0 BCAERO O=[S@](C[C@H]1CCC[NH2+]1)c1ncc(Cl)cn1 ZINC000095070023 182966550 /nfs/dbraw/zinc/96/65/50/182966550.db2.gz OISSLVNAAAKSBB-GLEZIHRCSA-N 1 0 245.735 0.990 10 0 BCAERO O=[S@](C[C@H]1CC[NH2+]C1)c1ncc(F)cn1 ZINC000095072013 182967147 /nfs/dbraw/zinc/96/71/47/182967147.db2.gz KOUCXPGLWFJUEZ-ZIDLFYJRSA-N 1 0 229.280 0.333 10 0 BCAERO O=[S@](c1cc(Cl)ncn1)C1CC[NH2+]CC1 ZINC000095070424 182967630 /nfs/dbraw/zinc/96/76/30/182967630.db2.gz MPEJTPBDWLCQJP-OAHLLOKOSA-N 1 0 245.735 0.990 10 0 BCAERO O=c1ccn(CC[NH2+]C2CCCC2)c(=O)[nH]1 ZINC000053526602 183003706 /nfs/dbraw/zinc/00/37/06/183003706.db2.gz HIDFPEUKLDVJOL-UHFFFAOYSA-N 1 0 223.276 0.069 10 0 BCAERO O=c1ccnc(S[C@@H]2CCC[NH2+]C2)[nH]1 ZINC000043501659 183004858 /nfs/dbraw/zinc/00/48/58/183004858.db2.gz VAIDRXAWZGEFON-SSDOTTSWSA-N 1 0 211.290 0.614 10 0 BCAERO O=c1ncccn1CC[NH2+]Cc1ccccn1 ZINC000053500137 183011705 /nfs/dbraw/zinc/01/17/05/183011705.db2.gz FUNUHHHKXUWIBZ-UHFFFAOYSA-N 1 0 230.271 0.428 10 0 BCAERO OC1(C[NH+]2CCN(CC3CC3)CC2)CCC1 ZINC000336676398 183018472 /nfs/dbraw/zinc/01/84/72/183018472.db2.gz NKOQGCOYHDDUFV-UHFFFAOYSA-N 1 0 224.348 0.929 10 0 BCAERO CCCC[C@@H]([NH3+])[C@@H]1CCS(=O)(=O)C1 ZINC000043300140 168970104 /nfs/dbraw/zinc/97/01/04/168970104.db2.gz SEFRXAWKSIOEOE-RKDXNWHRSA-N 1 0 205.323 0.939 10 0 BCAERO OCC(CO)[NH2+][C@@H]1CCc2ccccc21 ZINC000083690607 183033832 /nfs/dbraw/zinc/03/38/32/183033832.db2.gz PJEJWARSTYGENB-GFCCVEGCSA-N 1 0 207.273 0.617 10 0 BCAERO OCC1([NH2+]Cc2cnccn2)CCCC1 ZINC000054766791 183038168 /nfs/dbraw/zinc/03/81/68/183038168.db2.gz QMCCYJRUWZBLGK-UHFFFAOYSA-N 1 0 207.277 0.871 10 0 BCAERO OCCC[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000105919377 183054904 /nfs/dbraw/zinc/05/49/04/183054904.db2.gz ACCMTUDPZUPKCL-NSHDSACASA-N 1 0 224.308 0.373 10 0 BCAERO OCCC[NH+]1CCC(Nc2cccnn2)CC1 ZINC000105909989 183054967 /nfs/dbraw/zinc/05/49/67/183054967.db2.gz MSWUGZZZEVQVGC-UHFFFAOYSA-N 1 0 236.319 0.735 10 0 BCAERO OCCC[NH2+]C[C@@H]1COc2ccccc2O1 ZINC000022006240 183059094 /nfs/dbraw/zinc/05/90/94/183059094.db2.gz HCSGAGXOCHYBLF-SNVBAGLBSA-N 1 0 223.272 0.798 10 0 BCAERO OCC[NH+](CCO)C[C@@H]1C[C@H]2C=C[C@@H]1C2 ZINC000001226150 183066053 /nfs/dbraw/zinc/06/60/53/183066053.db2.gz QCDJMILMRVINOZ-TUAOUCFPSA-N 1 0 211.305 0.485 10 0 BCAERO OCC[NH+](CCO)Cn1cnc2ccccc21 ZINC000031555451 183066400 /nfs/dbraw/zinc/06/64/00/183066400.db2.gz ILBTUKDGESLSPX-UHFFFAOYSA-N 1 0 235.287 0.280 10 0 BCAERO OCC[NH+](CCO)C[C@H]1C[C@H]2C=C[C@@H]1C2 ZINC000004612339 183067180 /nfs/dbraw/zinc/06/71/80/183067180.db2.gz QCDJMILMRVINOZ-QJPTWQEYSA-N 1 0 211.305 0.485 10 0 BCAERO OCC[N@@H+]1CCCN(CCc2ccccn2)CC1 ZINC000071350616 183072124 /nfs/dbraw/zinc/07/21/24/183072124.db2.gz XYONPVVOFACDAR-UHFFFAOYSA-N 1 0 249.358 0.624 10 0 BCAERO OCC[N@@H+]1CCCN(Cc2ccncc2)CC1 ZINC000071349995 183074878 /nfs/dbraw/zinc/07/48/78/183074878.db2.gz BHKYSZIJPCUING-UHFFFAOYSA-N 1 0 235.331 0.582 10 0 BCAERO OCCOC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000160685199 183082833 /nfs/dbraw/zinc/08/28/33/183082833.db2.gz SRLQNRYUKKCMLS-OLZOCXBDSA-N 1 0 243.347 0.763 10 0 BCAERO OCCO[C@H]1CCC[N@H+](Cc2cc[nH]c2)C1 ZINC000128391282 183087077 /nfs/dbraw/zinc/08/70/77/183087077.db2.gz SVNMKRDMLNYALY-LBPRGKRZSA-N 1 0 224.304 0.988 10 0 BCAERO OC[C@@H](O)C[NH2+]Cc1cccc(F)c1Cl ZINC000083360433 183111915 /nfs/dbraw/zinc/11/19/15/183111915.db2.gz GEZFWEFDQWZULP-QMMMGPOBSA-N 1 0 233.670 0.922 10 0 BCAERO OC[C@@H](c1ccc(O)cc1)N1CC[NH2+]CC1 ZINC000038120836 183114559 /nfs/dbraw/zinc/11/45/59/183114559.db2.gz HIPCTQFMMWWSPJ-LBPRGKRZSA-N 1 0 222.288 0.331 10 0 BCAERO OC[C@@H]1CCC[N@H+](C[C@]2(CO)CCCOC2)C1 ZINC000104323248 183118987 /nfs/dbraw/zinc/11/89/87/183118987.db2.gz LQELWXFQSIIJBT-OLZOCXBDSA-N 1 0 243.347 0.480 10 0 BCAERO CCCC[C@H]([NH3+])C(=O)NCc1c[nH]nc1C ZINC000038012138 169007787 /nfs/dbraw/zinc/00/77/87/169007787.db2.gz SDQNZKLAAFOOLI-JTQLQIEISA-N 1 0 224.308 0.852 10 0 BCAERO OC[C@@]1([NH2+]C[C@H]2CCCO2)CCSC1 ZINC000038114344 183134979 /nfs/dbraw/zinc/13/49/79/183134979.db2.gz QIUYQQOYGXGBFY-ZJUUUORDSA-N 1 0 217.334 0.623 10 0 BCAERO OC[C@H](O)C[NH2+][C@H]1CCc2ccccc2C1 ZINC000077570537 183143531 /nfs/dbraw/zinc/14/35/31/183143531.db2.gz OQSDINOIKUKBFG-QWHCGFSZSA-N 1 0 221.300 0.487 10 0 BCAERO OC[C@@H]1C[N@H+](CC2(O)CCC2)CCC1(F)F ZINC000361408116 183126842 /nfs/dbraw/zinc/12/68/42/183126842.db2.gz LIQLNMRYLHYXNV-VIFPVBQESA-N 1 0 235.274 0.851 10 0 BCAERO OC[C@H]1C[C@H](O)C[N@@H+]1C[C@@H](O)c1ccccc1 ZINC000279697178 183156637 /nfs/dbraw/zinc/15/66/37/183156637.db2.gz IUYGCLGKLZQKMX-FRRDWIJNSA-N 1 0 237.299 0.148 10 0 BCAERO OC[C@]1(N2CCC[NH2+]CC2)CCSC1 ZINC000038117147 183159579 /nfs/dbraw/zinc/15/95/79/183159579.db2.gz GRPKNPKFWXTOIU-SNVBAGLBSA-N 1 0 216.350 0.150 10 0 BCAERO OC[C@H](c1ccc(O)cc1)N1CC[NH2+]CC1 ZINC000038120835 183145796 /nfs/dbraw/zinc/14/57/96/183145796.db2.gz HIPCTQFMMWWSPJ-GFCCVEGCSA-N 1 0 222.288 0.331 10 0 BCAERO O[C@@H](CN1CC[NH2+]CC1)c1ccccc1F ZINC000019785169 183177670 /nfs/dbraw/zinc/17/76/70/183177670.db2.gz YMFHTJGMEXISGC-LBPRGKRZSA-N 1 0 224.279 0.764 10 0 BCAERO O[C@@H](C[NH2+]C1COC1)c1cccc(F)c1 ZINC000087195322 183179275 /nfs/dbraw/zinc/17/92/75/183179275.db2.gz BXUGTZYBUNVRQD-NSHDSACASA-N 1 0 211.236 0.848 10 0 BCAERO O[C@@H](C[NH2+]CC[C@@H]1CCCO1)Cn1cccn1 ZINC000038096538 183179757 /nfs/dbraw/zinc/17/97/57/183179757.db2.gz JFUIWIGLKYQYTM-RYUDHWBXSA-N 1 0 239.319 0.403 10 0 BCAERO O[C@@H]1CCC[C@H]([NH2+]Cc2cnccn2)C1 ZINC000054766410 183197115 /nfs/dbraw/zinc/19/71/15/183197115.db2.gz ARYPDPKHAYFZJN-GXSJLCMTSA-N 1 0 207.277 0.870 10 0 BCAERO O[C@@H]1CCCC[C@@H]1[NH2+]CCN1CCCC1 ZINC000051770045 183189554 /nfs/dbraw/zinc/18/95/54/183189554.db2.gz HCMUPOLEXSMXJK-NWDGAFQWSA-N 1 0 212.337 0.975 10 0 BCAERO O[C@H](CN1CC[NH2+]CC1)c1cc(F)cc(F)c1 ZINC000070459583 183221494 /nfs/dbraw/zinc/22/14/94/183221494.db2.gz SXTKRDCVCYIBTB-GFCCVEGCSA-N 1 0 242.269 0.903 10 0 BCAERO O[C@@H]1COC[C@@H]1[NH2+]CCc1ccccc1F ZINC000037877389 183209755 /nfs/dbraw/zinc/20/97/55/183209755.db2.gz XVIJXNUUQCDMPP-NWDGAFQWSA-N 1 0 225.263 0.718 10 0 BCAERO CCC[N@H+](CC(=O)N(C)C)[C@@H](C)CC(=O)OC ZINC000042423170 169092812 /nfs/dbraw/zinc/09/28/12/169092812.db2.gz UBGYGKASCGFNBT-JTQLQIEISA-N 1 0 244.335 0.738 10 0 BCAERO O[C@H]1CC[NH2+]C[C@H]1CCc1ccccn1 ZINC000076640651 183241215 /nfs/dbraw/zinc/24/12/15/183241215.db2.gz BVMHALCUWWTHSP-PWSUYJOCSA-N 1 0 206.289 0.985 10 0 BCAERO O[C@H]1C[NH2+]CC[C@H]1NCc1ccccc1 ZINC000034122511 183245232 /nfs/dbraw/zinc/24/52/32/183245232.db2.gz AHEIGAOSXRVHSH-NEPJUHHUSA-N 1 0 206.289 0.499 10 0 BCAERO O[C@H]1COC[C@H]1[NH2+]Cc1ccc(F)c(F)c1 ZINC000049577622 183246986 /nfs/dbraw/zinc/24/69/86/183246986.db2.gz YWFWURRQHBLJSD-MNOVXSKESA-N 1 0 229.226 0.814 10 0 BCAERO O[C@H]1COC[C@@H]1[NH2+]CCc1ccc(F)cc1 ZINC000037875052 183246990 /nfs/dbraw/zinc/24/69/90/183246990.db2.gz IGXKQVJRDCVXRN-RYUDHWBXSA-N 1 0 225.263 0.718 10 0 BCAERO O[C@@H]1C[NH2+][C@@H](COCc2ccccc2)C[C@@H]1O ZINC000021996497 183247898 /nfs/dbraw/zinc/24/78/98/183247898.db2.gz JGUOEEMRKOPRQJ-FRRDWIJNSA-N 1 0 237.299 0.287 10 0 BCAERO CCC[N@H+](CCC(N)=O)C(C)(C)CN ZINC000050091091 169140099 /nfs/dbraw/zinc/14/00/99/169140099.db2.gz KVFDUAOLAXZSHD-UHFFFAOYSA-N 1 0 201.314 0.311 10 0 BCAERO CCCN(CC[NH3+])CCCS(C)(=O)=O ZINC000063014567 169157805 /nfs/dbraw/zinc/15/78/05/169157805.db2.gz WNRPEFFMDNFVPK-UHFFFAOYSA-N 1 0 222.354 0.092 10 0 BCAERO CCC[N@H+](CCO)C[C@H](O)COC(C)(C)C ZINC000046342873 169165243 /nfs/dbraw/zinc/16/52/43/169165243.db2.gz GXURZMMFWINNGB-NSHDSACASA-N 1 0 233.352 0.867 10 0 BCAERO CCCN(c1ccc(C(N)=O)cn1)[C@@H]1CC[NH2+]C1 ZINC000071332835 169182372 /nfs/dbraw/zinc/18/23/72/169182372.db2.gz AQSPHEKOWDQFDV-LLVKDONJSA-N 1 0 248.330 0.759 10 0 BCAERO CCCN(c1ncnc2nc[nH]c21)[C@H]1CC[NH2+]C1 ZINC000071332704 169183451 /nfs/dbraw/zinc/18/34/51/169183451.db2.gz ZZPMICGPUICHRR-VIFPVBQESA-N 1 0 246.318 0.931 10 0 BCAERO CCCN(c1ncnc2nc[nH]c21)[C@@H]1CC[NH2+]C1 ZINC000071332702 169183984 /nfs/dbraw/zinc/18/39/84/169183984.db2.gz ZZPMICGPUICHRR-SECBINFHSA-N 1 0 246.318 0.931 10 0 BCAERO CCCN1C(=O)N[C@H](Cc2c[nH]cn2)C1=O ZINC000039098467 169184795 /nfs/dbraw/zinc/18/47/95/169184795.db2.gz FFMKPTNKWSCTOK-MRVPVSSYSA-N 1 0 222.248 0.283 10 0 BCAERO c1c[nH]c(C[NH2+]CCN2CCOCC2)c1 ZINC000048408809 183324995 /nfs/dbraw/zinc/32/49/95/183324995.db2.gz ONEDSUHFZCZULX-UHFFFAOYSA-N 1 0 209.293 0.437 10 0 BCAERO CCCN1CCN(C(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000019411937 169200975 /nfs/dbraw/zinc/20/09/75/169200975.db2.gz KBPKWOHXALSUTP-NSHDSACASA-N 1 0 225.336 0.293 10 0 BCAERO CCCN1CCN(C(=O)[C@@H]([NH3+])CC)CC1 ZINC000036871399 169201081 /nfs/dbraw/zinc/20/10/81/169201081.db2.gz KIEKTRMCYLZKFU-JTQLQIEISA-N 1 0 213.325 0.278 10 0 BCAERO CCCN1CCN(C(=O)[C@H]([NH3+])CC)CC1 ZINC000036871398 169201289 /nfs/dbraw/zinc/20/12/89/169201289.db2.gz KIEKTRMCYLZKFU-SNVBAGLBSA-N 1 0 213.325 0.278 10 0 BCAERO CCCN1CCN(C(=O)[C@@H]([NH3+])CC(C)C)CC1 ZINC000019508913 169201499 /nfs/dbraw/zinc/20/14/99/169201499.db2.gz HTFSDFNGBIMUDK-LBPRGKRZSA-N 1 0 241.379 0.914 10 0 BCAERO CCCNC(=O)CNC(=O)[C@H]1CC[C@H](C)[NH2+]C1 ZINC000036781288 169225358 /nfs/dbraw/zinc/22/53/58/169225358.db2.gz UANYMOOKPBDCMB-UWVGGRQHSA-N 1 0 241.335 0.017 10 0 BCAERO CCCNC(=O)C[NH2+]CC1CCOCC1 ZINC000052172131 169225936 /nfs/dbraw/zinc/22/59/36/169225936.db2.gz DUAQKPIVZAFODT-UHFFFAOYSA-N 1 0 214.309 0.529 10 0 BCAERO CCCNC(=O)C[NH2+][C@@H](C)C(=O)N[C@@H](C)CC ZINC000035207091 169227075 /nfs/dbraw/zinc/22/70/75/169227075.db2.gz VBGYRTVUUXWHIW-UWVGGRQHSA-N 1 0 243.351 0.405 10 0 BCAERO CCCNC(=O)C[NH2+][C@@H](C)C(=O)N1CCCC1 ZINC000035133888 169227119 /nfs/dbraw/zinc/22/71/19/169227119.db2.gz LQJXPQBRYPSEAI-JTQLQIEISA-N 1 0 241.335 0.113 10 0 BCAERO CCCNC(=O)C[NH2+]Cc1cccn1C ZINC000049538139 169227928 /nfs/dbraw/zinc/22/79/28/169227928.db2.gz UGXUFCKZJQJPHF-UHFFFAOYSA-N 1 0 209.293 0.641 10 0 BCAERO CCCNC(=O)CCNC(=O)[C@H](C)C[NH2+]CC ZINC000061268046 169216788 /nfs/dbraw/zinc/21/67/88/169216788.db2.gz NGNYJNGHZHPPRB-SNVBAGLBSA-N 1 0 243.351 0.265 10 0 BCAERO c1nnnn1-c1cccc(NC2CC[NH2+]CC2)c1 ZINC000038040989 183356702 /nfs/dbraw/zinc/35/67/02/183356702.db2.gz XOVUZLJGGXTFNP-UHFFFAOYSA-N 1 0 244.302 0.826 10 0 BCAERO CCCNC(=O)CCNC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000091546891 169217340 /nfs/dbraw/zinc/21/73/40/169217340.db2.gz NVRFQWJPAOLOBJ-VHSXEESVSA-N 1 0 241.335 0.146 10 0 BCAERO CCC[NH2+]C1(C(N)=O)CCC2(CC1)OCCO2 ZINC000037946361 169254194 /nfs/dbraw/zinc/25/41/94/169254194.db2.gz TUXDDXWFVCZRJX-UHFFFAOYSA-N 1 0 242.319 0.527 10 0 BCAERO CCC[NH2+]C1CCN(C[C@@H]2COCCO2)CC1 ZINC000038062675 169255499 /nfs/dbraw/zinc/25/54/99/169255499.db2.gz IEAOLAWFGUSPTQ-CYBMUJFWSA-N 1 0 242.363 0.866 10 0 BCAERO CCC[NH2+]CC(=O)N1CCCO[C@@H](C)C1 ZINC000061920257 169255597 /nfs/dbraw/zinc/25/55/97/169255597.db2.gz MGUIYQYPTQHQMS-JTQLQIEISA-N 1 0 214.309 0.623 10 0 BCAERO CCC[NH2+]CCC(=O)N1CCN(CC)CC1 ZINC000072417550 169257529 /nfs/dbraw/zinc/25/75/29/169257529.db2.gz PKBWCUFKKNBVMX-UHFFFAOYSA-N 1 0 227.352 0.540 10 0 BCAERO CCC[NH2+]CCCN1CCCN(C(C)=O)CC1 ZINC000042681343 169257670 /nfs/dbraw/zinc/25/76/70/169257670.db2.gz DZDNCMZSGQOXME-UHFFFAOYSA-N 1 0 241.379 0.930 10 0 BCAERO CCC[NH2+]CCNCCCn1ccnc1 ZINC000049478670 169258958 /nfs/dbraw/zinc/25/89/58/169258958.db2.gz SPHLWNUJEQALRW-UHFFFAOYSA-N 1 0 210.325 0.862 10 0 BCAERO c1cc(CN[C@H]2CC[NH2+]C2)cc2c1OCO2 ZINC000086725165 183368075 /nfs/dbraw/zinc/36/80/75/183368075.db2.gz DJNQJUNNAHFQFE-JTQLQIEISA-N 1 0 220.272 0.867 10 0 BCAERO c1cc(OC[C@H]2C[NH2+]CCO2)cc2c1OCO2 ZINC000011587437 183370715 /nfs/dbraw/zinc/37/07/15/183370715.db2.gz QTAAKGMWNJZVBS-SNVBAGLBSA-N 1 0 237.255 0.783 10 0 BCAERO CCCNC(=O)[C@H](C)[NH2+][C@H]1CCN2CCC[C@H]12 ZINC000049568010 169247522 /nfs/dbraw/zinc/24/75/22/169247522.db2.gz DQQKLVCNEZFQLY-SDDRHHMPSA-N 1 0 239.363 0.727 10 0 BCAERO c1nnnn1-c1ccccc1NC1CC[NH2+]CC1 ZINC000038041102 183386532 /nfs/dbraw/zinc/38/65/32/183386532.db2.gz HNGJBSNBSKBYRX-UHFFFAOYSA-N 1 0 244.302 0.826 10 0 BCAERO CCC[NH2+][C@H](COCC1CCOCC1)C(N)=O ZINC000052170283 169289386 /nfs/dbraw/zinc/28/93/86/169289386.db2.gz DFHBPVMKMGVXOA-LLVKDONJSA-N 1 0 244.335 0.283 10 0 BCAERO CCC[NH2+]C[C@H](O)CN(C)Cc1ccccn1 ZINC000036777311 169264130 /nfs/dbraw/zinc/26/41/30/169264130.db2.gz OFIHXJWDHPOTSZ-ZDUSSCGKSA-N 1 0 237.347 0.874 10 0 BCAERO CCC[NH2+]C[C@H]1CCCN([C@@H](C)C(=O)NC)C1 ZINC000104415939 169264522 /nfs/dbraw/zinc/26/45/22/169264522.db2.gz HNUUQFNPSCTNAO-NWDGAFQWSA-N 1 0 241.379 0.833 10 0 BCAERO CCC[NH2+]C[C@H]1CCCCN1CCC(=O)NC ZINC000104429711 169264613 /nfs/dbraw/zinc/26/46/13/169264613.db2.gz CVDXWZTYJOXNGP-GFCCVEGCSA-N 1 0 241.379 0.977 10 0 BCAERO CCC[NH2+]C[C@H]1CCCCN1c1nnnn1C ZINC000062939672 169264870 /nfs/dbraw/zinc/26/48/70/169264870.db2.gz ZZPWYAFPYSEVLU-SNVBAGLBSA-N 1 0 238.339 0.569 10 0 BCAERO CCC[NH2+][C@@H](C)CN1C(=O)C[C@H](C)C1=O ZINC000044472875 169274618 /nfs/dbraw/zinc/27/46/18/169274618.db2.gz CRTYWIOTDBPNQW-IUCAKERBSA-N 1 0 212.293 0.770 10 0 BCAERO CCCOCCOCC[C@@H]([NH2+]C(C)C)C(N)=O ZINC000104251642 169309576 /nfs/dbraw/zinc/30/95/76/169309576.db2.gz VADXKGRJJGVRCD-LLVKDONJSA-N 1 0 246.351 0.672 10 0 BCAERO CCCN[C@](C)(C[N@H+](C)C[C@@H]1C[C@@H]1C)C(N)=O ZINC000104406821 169293527 /nfs/dbraw/zinc/29/35/27/169293527.db2.gz YFDSTAZBGSUGIT-GMXVVIOVSA-N 1 0 241.379 0.818 10 0 BCAERO CCCS(=O)(=O)N(C)[C@H]1CCC[NH2+]C1 ZINC000037470056 169330336 /nfs/dbraw/zinc/33/03/36/169330336.db2.gz YUWRCTPSKPDHNV-VIFPVBQESA-N 1 0 220.338 0.410 10 0 BCAERO CCCS(=O)(=O)N1CCCC[C@@H]1[NH3+] ZINC000019874212 169330597 /nfs/dbraw/zinc/33/05/97/169330597.db2.gz TWFDZHSDRRXGIW-MRVPVSSYSA-N 1 0 206.311 0.497 10 0 BCAERO CCCS(=O)(=O)N1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000051359204 169331427 /nfs/dbraw/zinc/33/14/27/169331427.db2.gz JOXXHGHBPHWYTM-WDEREUQCSA-N 1 0 246.376 0.943 10 0 BCAERO CCCS(=O)(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000061883922 169332982 /nfs/dbraw/zinc/33/29/82/169332982.db2.gz NSLNBPWWUOMCCY-BDAKNGLRSA-N 1 0 220.338 0.443 10 0 BCAERO CCC[C@@H](C)NC(=O)[C@H](C)[NH2+]CC(=O)N(C)C ZINC000037208200 169368699 /nfs/dbraw/zinc/36/86/99/169368699.db2.gz QWXGIQCQUWJXTO-ZJUUUORDSA-N 1 0 243.351 0.358 10 0 BCAERO CCC[C@@H](C)NC(=O)[C@@H](C)[NH2+]CCNC(C)=O ZINC000035206961 169368722 /nfs/dbraw/zinc/36/87/22/169368722.db2.gz WHUZUNFVZAKIOM-NXEZZACHSA-N 1 0 243.351 0.405 10 0 BCAERO CCC[C@@H](C)NC(=O)[C@H](C)[NH2+][C@@H](C)C(=O)NC ZINC000042563026 169368786 /nfs/dbraw/zinc/36/87/86/169368786.db2.gz OCGASEBPQIFUSI-UTLUCORTSA-N 1 0 243.351 0.404 10 0 BCAERO CCC[C@@H](C(=O)NCCn1ccnc1)[NH+](C)C ZINC000135883511 169345494 /nfs/dbraw/zinc/34/54/94/169345494.db2.gz LXJDSDAYZAHDOT-NSHDSACASA-N 1 0 238.335 0.730 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)N1CCC(C(=O)OC)CC1 ZINC000226294276 169387939 /nfs/dbraw/zinc/38/79/39/169387939.db2.gz WJOWNEQBEPTNOV-SNVBAGLBSA-N 1 0 242.319 0.525 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)N1CCC[C@H](O)C1 ZINC000037507241 169388083 /nfs/dbraw/zinc/38/80/83/169388083.db2.gz DCONWMGUAQOISK-DTWKUNHWSA-N 1 0 200.282 0.097 10 0 BCAERO CCC[C@@H](C[NH3+])C(=O)N1CCCOCC1 ZINC000061918844 169383146 /nfs/dbraw/zinc/38/31/46/169383146.db2.gz SWBUFEVKOFONSN-JTQLQIEISA-N 1 0 214.309 0.610 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)N(C)C[C@H]1CCOC1 ZINC000236892738 169386600 /nfs/dbraw/zinc/38/66/00/169386600.db2.gz UTYCGUAUZWYBTQ-NXEZZACHSA-N 1 0 214.309 0.609 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)NCCCCCC(=O)OC ZINC000083372980 169389832 /nfs/dbraw/zinc/38/98/32/169389832.db2.gz DGLPEHVLWWXWQF-SNVBAGLBSA-N 1 0 244.335 0.963 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)NC[C@@H]1CCCO1 ZINC000036872953 169389092 /nfs/dbraw/zinc/38/90/92/169389092.db2.gz PQSNDSWXTYIWGW-DTWKUNHWSA-N 1 0 200.282 0.409 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)NCCCC(=O)OC ZINC000040832163 169389125 /nfs/dbraw/zinc/38/91/25/169389125.db2.gz PPZNEDZRTYBJFU-MRVPVSSYSA-N 1 0 216.281 0.183 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)NCCC[C@H](C)CO ZINC000226697853 169389289 /nfs/dbraw/zinc/38/92/89/169389289.db2.gz SGSWZXHEPSIEPI-VHSXEESVSA-N 1 0 216.325 0.639 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000040673728 169390532 /nfs/dbraw/zinc/39/05/32/169390532.db2.gz DJRVIXDTXWMLPN-NXEZZACHSA-N 1 0 213.325 0.324 10 0 BCAERO CCC[C@@H]([NH3+])c1noc([C@H]2COCCO2)n1 ZINC000055305567 169394421 /nfs/dbraw/zinc/39/44/21/169394421.db2.gz XOMLRBFLICECEB-HTQZYQBOSA-N 1 0 227.264 0.957 10 0 BCAERO CCC[C@@H]([NH3+])C[C@@H]1CCS(=O)(=O)C1 ZINC000038085262 169393072 /nfs/dbraw/zinc/39/30/72/169393072.db2.gz TUCBJYDBVGXRTR-DTWKUNHWSA-N 1 0 205.323 0.939 10 0 BCAERO COC[C@@H]([NH2+][C@@H]1CCc2ncnn2C1)C(C)C ZINC000180600801 134329980 /nfs/dbraw/zinc/32/99/80/134329980.db2.gz RBDDDKWDKNNUNL-GHMZBOCLSA-N 1 0 238.335 0.854 10 0 BCAERO CCC[C@H](C)NC(=O)CN1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000070078231 169492007 /nfs/dbraw/zinc/49/20/07/169492007.db2.gz CZVQERLOYIJMCR-SDDRHHMPSA-N 1 0 241.379 0.973 10 0 BCAERO CCC[C@@H]1C[C@@H]1NC(=O)C[C@H]1C[NH2+]CCO1 ZINC000261534975 535456303 /nfs/dbraw/zinc/45/63/03/535456303.db2.gz UZKCONSWCZOCMU-VWYCJHECSA-N 1 0 226.320 0.670 10 0 BCAERO CCN(C(=O)[C@@H]1CCCO1)[C@@H]1CC[NH2+]C1 ZINC000037469873 169649520 /nfs/dbraw/zinc/64/95/20/169649520.db2.gz PWSKIDLSAVZOCX-ZJUUUORDSA-N 1 0 212.293 0.376 10 0 BCAERO Cc1nc(C)c(C(=O)NC2C[NH2+]C2)s1 ZINC000226248690 134362127 /nfs/dbraw/zinc/36/21/27/134362127.db2.gz INIHEYBWDVBJFW-UHFFFAOYSA-N 1 0 211.290 0.462 10 0 BCAERO CC(C)(C)OC(=O)CC[N@@H+]1C[C@H](O)C[C@@H]1CO ZINC000184743133 134366186 /nfs/dbraw/zinc/36/61/86/134366186.db2.gz MUUPGHBSABKHRG-NXEZZACHSA-N 1 0 245.319 0.146 10 0 BCAERO CC(C)CCOCC[N@@H+]1C[C@H](O)C[C@@H]1CO ZINC000185157675 134372321 /nfs/dbraw/zinc/37/23/21/134372321.db2.gz JYEUMQLQTFJDGU-VXGBXAGGSA-N 1 0 231.336 0.477 10 0 BCAERO CN(CC[NH3+])c1ncncc1Br ZINC000085466613 134374662 /nfs/dbraw/zinc/37/46/62/134374662.db2.gz AJVNWGANIWTCDY-UHFFFAOYSA-N 1 0 231.097 0.634 10 0 BCAERO O=C(N[C@@H]1CC[C@@H]2C[C@@H]2C1)[C@H]1C[C@H](F)C[NH2+]1 ZINC000647097032 383822572 /nfs/dbraw/zinc/82/25/72/383822572.db2.gz AIOSAOJGLWITSW-KAMPLNKDSA-N 1 0 226.295 0.991 10 0 BCAERO Cc1nn(C)c(C)c1[C@H]1[C@@H]([NH3+])CC(=O)N1C ZINC000069797970 383845658 /nfs/dbraw/zinc/84/56/58/383845658.db2.gz JSRKDMFDGDISFS-GZMMTYOYSA-N 1 0 222.292 0.267 10 0 BCAERO O=S(=O)(NC[C@H]1CC[NH2+]C1)c1cccs1 ZINC000087655118 383858718 /nfs/dbraw/zinc/85/87/18/383858718.db2.gz AJTQNARJYFGNNU-QMMMGPOBSA-N 1 0 246.357 0.636 10 0 BCAERO COc1ccnc(NC[C@@H]([NH3+])C(C)C)n1 ZINC000070010494 383859765 /nfs/dbraw/zinc/85/97/65/383859765.db2.gz KKEZUDHSSUTYES-MRVPVSSYSA-N 1 0 210.281 0.880 10 0 BCAERO O=C([O-])[C@@H]1C[NH2+]CCN1c1nc2ccccc2[nH]1 ZINC000088673694 383918607 /nfs/dbraw/zinc/91/86/07/383918607.db2.gz OFOXMZVDRGJODX-JTQLQIEISA-N 1 0 246.270 0.426 10 0 BCAERO CC(C)N1C(=O)N[C@](C)([C@H]2CCC[NH2+]C2)C1=O ZINC000088611688 383919262 /nfs/dbraw/zinc/91/92/62/383919262.db2.gz CZBOIKUXBZPHCD-JOYOIKCWSA-N 1 0 239.319 0.705 10 0 BCAERO CCCCNC(=O)[C@H](C)N1C[C@H]([NH3+])[C@@H](C)C1 ZINC000300047763 383923952 /nfs/dbraw/zinc/92/39/52/383923952.db2.gz FRLHAZOOFGFUGC-DCAQKATOSA-N 1 0 227.352 0.570 10 0 BCAERO [NH3+]Cc1ccc(C(=O)NCCCO)cc1 ZINC000036984432 383925267 /nfs/dbraw/zinc/92/52/67/383925267.db2.gz DKGLZOUTUUYHIU-UHFFFAOYSA-N 1 0 208.261 0.258 10 0 BCAERO C[C@H](C[NH2+][C@@H]1CCO[C@@H]1C)CS(C)(=O)=O ZINC000348122898 383890834 /nfs/dbraw/zinc/89/08/34/383890834.db2.gz XRYYVHTXWPXUAM-OPRDCNLKSA-N 1 0 235.349 0.434 10 0 BCAERO O=C(c1ncccc1O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000112022569 383892230 /nfs/dbraw/zinc/89/22/30/383892230.db2.gz FYLVOAOGOFFFQY-JTQLQIEISA-N 1 0 247.298 0.707 10 0 BCAERO CC[C@@H](C)NC(=O)C[N@@H+]1CC[C@@H](CCO)C1 ZINC000227574363 134386186 /nfs/dbraw/zinc/38/61/86/134386186.db2.gz BPFXCSAJPVUJHJ-MNOVXSKESA-N 1 0 228.336 0.605 10 0 BCAERO COC[C@]1(C(=O)NC(C)C)CCC[NH2+]1 ZINC000643614261 383993819 /nfs/dbraw/zinc/99/38/19/383993819.db2.gz PLLYAUNKIXUCOB-JTQLQIEISA-N 1 0 200.282 0.280 10 0 BCAERO COCCNC(=O)C1(CCOC)CC[NH2+]CC1 ZINC000643614119 383994167 /nfs/dbraw/zinc/99/41/67/383994167.db2.gz KKXXHVZDUHIUPZ-UHFFFAOYSA-N 1 0 244.335 0.155 10 0 BCAERO CCCCCNC(=O)[C@@H]1C[NH2+]CCOC1 ZINC000643614213 383994325 /nfs/dbraw/zinc/99/43/25/383994325.db2.gz NLFUFXNDWAHZEV-SNVBAGLBSA-N 1 0 214.309 0.529 10 0 BCAERO COC[C@@]1(C(=O)NC[C@H]2CCCO2)CCC[NH2+]1 ZINC000643614306 383994973 /nfs/dbraw/zinc/99/49/73/383994973.db2.gz QYLWJCOTMVHZDK-ZYHUDNBSSA-N 1 0 242.319 0.050 10 0 BCAERO O=C(NCCc1ccccc1)[C@@H]1C[NH2+]CCOC1 ZINC000643614362 383997950 /nfs/dbraw/zinc/99/79/50/383997950.db2.gz UIVNPFBZSYGYTH-CYBMUJFWSA-N 1 0 248.326 0.581 10 0 BCAERO CN1c2ncccc2C2(CC[NH2+]CC2)C1=O ZINC000089222155 383950093 /nfs/dbraw/zinc/95/00/93/383950093.db2.gz PTFZMTIQSAEYBM-UHFFFAOYSA-N 1 0 217.272 0.679 10 0 BCAERO CCCN(CCC)C(=O)[C@@H]1C[NH2+]CCOC1 ZINC000643615270 384020521 /nfs/dbraw/zinc/02/05/21/384020521.db2.gz YZIWQMDWVJAONM-LLVKDONJSA-N 1 0 228.336 0.871 10 0 BCAERO O=C(NCCn1ccnc1)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634763110 384025548 /nfs/dbraw/zinc/02/55/48/384025548.db2.gz OCDXHCBWZOVVJI-AAEUAGOBSA-N 1 0 248.330 0.389 10 0 BCAERO COC[C@@]1(C(=O)NCCC(C)C)CCC[NH2+]1 ZINC000643615309 384003547 /nfs/dbraw/zinc/00/35/47/384003547.db2.gz GKETYCXIVADZSD-GFCCVEGCSA-N 1 0 228.336 0.917 10 0 BCAERO COCCC1(C(=O)NC2CC2)CC[NH2+]CC1 ZINC000643615510 384003964 /nfs/dbraw/zinc/00/39/64/384003964.db2.gz NMFDBHJPUJAHSL-UHFFFAOYSA-N 1 0 226.320 0.671 10 0 BCAERO Cc1cn[nH]c1C[NH2+]C[C@@H]1CCC[C@@H]1O ZINC000289488093 384012408 /nfs/dbraw/zinc/01/24/08/384012408.db2.gz KSAVARLEAPTIIR-ONGXEEELSA-N 1 0 209.293 0.969 10 0 BCAERO CC(C)[C@@H](C)NC(=O)[C@H]1C[NH2+]CCOC1 ZINC000643617767 384012934 /nfs/dbraw/zinc/01/29/34/384012934.db2.gz OLRGTQRGJRSTCE-ZJUUUORDSA-N 1 0 214.309 0.383 10 0 BCAERO CC(C)[N@@H+]1CC[C@H](CO)[C@H](N(C)C)C1 ZINC000257182503 384027557 /nfs/dbraw/zinc/02/75/57/384027557.db2.gz PLTJYHIQVFEVRP-GHMZBOCLSA-N 1 0 200.326 0.639 10 0 BCAERO COC[C@@]1(C(=O)NCCC2CC2)CCC[NH2+]1 ZINC000643704290 384085174 /nfs/dbraw/zinc/08/51/74/384085174.db2.gz OMGGHQFIKVCYQA-GFCCVEGCSA-N 1 0 226.320 0.671 10 0 BCAERO C[NH+](C)[C@H]1CC[C@@H](NC(=O)N2CCOCC2)C1 ZINC000155944775 384060052 /nfs/dbraw/zinc/06/00/52/384060052.db2.gz ZGNXYXSRFXRDNR-MNOVXSKESA-N 1 0 241.335 0.511 10 0 BCAERO c1cnc(-c2n[nH]c(C3CC[NH2+]CC3)n2)nc1 ZINC000090583819 384063290 /nfs/dbraw/zinc/06/32/90/384063290.db2.gz YSLCBWCBLLEWMX-UHFFFAOYSA-N 1 0 230.275 0.729 10 0 BCAERO [NH3+]C[C@H]1CC(=O)N(CCOC2CCCC2)C1 ZINC000070052644 384075061 /nfs/dbraw/zinc/07/50/61/384075061.db2.gz DIBUNZDXQQYXOK-SNVBAGLBSA-N 1 0 226.320 0.753 10 0 BCAERO COC[C@@]1(C(=O)N[C@@H](C)C2CC2)CCC[NH2+]1 ZINC000643621825 384096933 /nfs/dbraw/zinc/09/69/33/384096933.db2.gz ALCYQWFNIUGIGP-JOYOIKCWSA-N 1 0 226.320 0.670 10 0 BCAERO COC[C@@H]([NH3+])CNC(=O)OC(C)(C)C ZINC000039093253 384100224 /nfs/dbraw/zinc/10/02/24/384100224.db2.gz KTJZGFSYVWTNHA-ZETCQYMHSA-N 1 0 204.270 0.485 10 0 BCAERO CC1CC(NC(=O)[C@H]2C[NH2+]CCOC2)C1 ZINC000643704845 384108845 /nfs/dbraw/zinc/10/88/45/384108845.db2.gz BJKHJBBCLXDIJD-KYHHOPLUSA-N 1 0 212.293 0.137 10 0 BCAERO C[NH2+][C@H](C)CNC(=O)c1ccc2n[nH]cc2c1 ZINC000648131409 384094181 /nfs/dbraw/zinc/09/41/81/384094181.db2.gz ICSVNIHQRGZPAZ-MRVPVSSYSA-N 1 0 232.287 0.901 10 0 BCAERO C[C@@H](C(=O)NC1CCCC1)N1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000235325334 384136302 /nfs/dbraw/zinc/13/63/02/384136302.db2.gz VOUWEJXXFNFHCP-SCVCMEIPSA-N 1 0 239.363 0.713 10 0 BCAERO CC(=O)N1CCN(C(=O)[C@@H]([NH3+])C(C)C)C[C@@H]1C ZINC000091351791 384121331 /nfs/dbraw/zinc/12/13/31/384121331.db2.gz MDBSUOXAYHBCOB-ONGXEEELSA-N 1 0 241.335 0.049 10 0 BCAERO CC[C@@H]1C[C@@H](C)CN1C(=O)[C@H]1C[NH2+]CCOC1 ZINC000643706415 384127477 /nfs/dbraw/zinc/12/74/77/384127477.db2.gz WLCKNTRYBWVFIW-GRYCIOLGSA-N 1 0 240.347 0.869 10 0 BCAERO CC[N@@H+]1CCC[C@@H]1CN(C)S(=O)(=O)CC ZINC000092677651 384151296 /nfs/dbraw/zinc/15/12/96/384151296.db2.gz QTWOKSLNFOSZBQ-SNVBAGLBSA-N 1 0 234.365 0.752 10 0 BCAERO C[NH+](C)C[C@H]1CN(C(=O)c2ccc[nH]2)CCO1 ZINC000116793987 384155620 /nfs/dbraw/zinc/15/56/20/384155620.db2.gz DPDUMQRYVSZZRV-JTQLQIEISA-N 1 0 237.303 0.417 10 0 BCAERO CCN(CC(F)F)C(=O)[C@H]1C[NH2+]CCOC1 ZINC000643781266 384157503 /nfs/dbraw/zinc/15/75/03/384157503.db2.gz NYXCCUYHRGLONX-QMMMGPOBSA-N 1 0 236.262 0.336 10 0 BCAERO CC(C)(C)[C@H](O)Cn1cc(C[NH2+]C2CC2)nn1 ZINC000302412946 384168474 /nfs/dbraw/zinc/16/84/74/384168474.db2.gz PVGIZJRJQCYOOM-LLVKDONJSA-N 1 0 238.335 0.937 10 0 BCAERO O=C(NCCCC1CC1)[C@H]1C[NH2+]CCOC1 ZINC000643710077 384168572 /nfs/dbraw/zinc/16/85/72/384168572.db2.gz SQLBQOXRIAQULJ-NSHDSACASA-N 1 0 226.320 0.529 10 0 BCAERO CC(C)(C)OC(=O)C1CN(CC[NH3+])C1 ZINC000071791396 384179837 /nfs/dbraw/zinc/17/98/37/384179837.db2.gz PCIBHCMYMKAOIY-UHFFFAOYSA-N 1 0 200.282 0.219 10 0 BCAERO O=C1NCCC[C@H]1NCc1ccccn1 ZINC000050394555 384203916 /nfs/dbraw/zinc/20/39/16/384203916.db2.gz WSBUEXHUUGFETL-SNVBAGLBSA-N 1 0 205.261 0.450 10 0 BCAERO CS(=O)(=O)N[C@@H]1CCCC[C@H]1[NH2+]C1CCC1 ZINC000309863475 384188173 /nfs/dbraw/zinc/18/81/73/384188173.db2.gz NQEFOFMYQWENSW-GHMZBOCLSA-N 1 0 246.376 0.989 10 0 BCAERO COCCOCCOc1cnccc1C[NH3+] ZINC000163650802 384190195 /nfs/dbraw/zinc/19/01/95/384190195.db2.gz ZZNAGDADFXKSED-UHFFFAOYSA-N 1 0 226.276 0.582 10 0 BCAERO COC[C@@]1(C(=O)NCC(C)(C)C)CCC[NH2+]1 ZINC000643630320 384195855 /nfs/dbraw/zinc/19/58/55/384195855.db2.gz FLFNKBLHADCHRQ-GFCCVEGCSA-N 1 0 228.336 0.917 10 0 BCAERO CC[C@@H](CCO)NC(=O)[C@H]1CCC[NH2+]1 ZINC000163256733 384196324 /nfs/dbraw/zinc/19/63/24/384196324.db2.gz LVVJDHKHDJOQFD-DTWKUNHWSA-N 1 0 200.282 0.016 10 0 BCAERO CO[C@H]1C[C@@H](CO)[N@H+](CCc2cnccn2)C1 ZINC000402896267 384222234 /nfs/dbraw/zinc/22/22/34/384222234.db2.gz IJQMKTVUSSNFOJ-RYUDHWBXSA-N 1 0 237.303 0.101 10 0 BCAERO COCCN1CC[N@@H+]([C@@H](C)COC)C[C@H]1C ZINC000173678888 384246134 /nfs/dbraw/zinc/24/61/34/384246134.db2.gz JFDLKMJITUNKMJ-NEPJUHHUSA-N 1 0 230.352 0.674 10 0 BCAERO C[C@H]([NH2+][C@H]1CCC(=O)N[C@H]1C)c1ccnn1C ZINC000282391972 384260693 /nfs/dbraw/zinc/26/06/93/384260693.db2.gz RDXVPKXYKHSMRE-GUBZILKMSA-N 1 0 236.319 0.738 10 0 BCAERO [NH3+][C@H]1CC[C@H](C(=O)NCc2ncc[nH]2)C1 ZINC000085013768 384262623 /nfs/dbraw/zinc/26/26/23/384262623.db2.gz WKWLVLBZZRFSPS-YUMQZZPRSA-N 1 0 208.265 0.153 10 0 BCAERO CCn1cc(NC(=O)[C@H]2C[NH2+]CCOC2)cn1 ZINC000643641699 384266163 /nfs/dbraw/zinc/26/61/63/384266163.db2.gz PVXMLRAWIFBYBP-VIFPVBQESA-N 1 0 238.291 0.078 10 0 BCAERO OC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccc2c[nH]nc2c1 ZINC000376296143 384266181 /nfs/dbraw/zinc/26/61/81/384266181.db2.gz MNHULBIUQJZAQA-VXGBXAGGSA-N 1 0 247.298 0.490 10 0 BCAERO Cn1cc([C@@H]2CC[N@H+](CCOCCO)C2)cn1 ZINC000133139324 384272699 /nfs/dbraw/zinc/27/26/99/384272699.db2.gz RAGTYGAHSRJBCG-LLVKDONJSA-N 1 0 239.319 0.218 10 0 BCAERO Cn1cc([C@H]2CC[N@H+](CCOCCO)C2)cn1 ZINC000133139567 384272949 /nfs/dbraw/zinc/27/29/49/384272949.db2.gz RAGTYGAHSRJBCG-NSHDSACASA-N 1 0 239.319 0.218 10 0 BCAERO [NH3+][C@@H](CO)[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000074077823 384273690 /nfs/dbraw/zinc/27/36/90/384273690.db2.gz LXRBJLLDUYVYTH-IUCAKERBSA-N 1 0 219.643 0.832 10 0 BCAERO O=C1CCC(=O)N1CC[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000405417689 384306495 /nfs/dbraw/zinc/30/64/95/384306495.db2.gz BDIQCAMRUUNKKF-HBNTYKKESA-N 1 0 236.315 0.914 10 0 BCAERO CCC[C@@H](C(=O)NCCCNC(C)=O)[NH+](C)C ZINC000179438962 384293522 /nfs/dbraw/zinc/29/35/22/384293522.db2.gz LGJIAOCVMLERLE-NSHDSACASA-N 1 0 243.351 0.359 10 0 BCAERO CCOC[C@H](O)CN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000094440070 384299939 /nfs/dbraw/zinc/29/99/39/384299939.db2.gz XGUQMSKIRBPKGJ-CHWSQXEVSA-N 1 0 242.363 0.554 10 0 BCAERO CC[C@@H](O)CN1CC[NH+](CCSC)CC1 ZINC000174096226 384303772 /nfs/dbraw/zinc/30/37/72/384303772.db2.gz FEGODVMQVHUJMW-LLVKDONJSA-N 1 0 232.393 0.738 10 0 BCAERO CN(c1cc(Cl)ncn1)[C@H]1CC[NH2+]C1 ZINC000095070584 384336668 /nfs/dbraw/zinc/33/66/68/384336668.db2.gz WFDXDMOQSSVIJE-ZETCQYMHSA-N 1 0 212.684 0.928 10 0 BCAERO Clc1nccnc1CN[C@H]1CC[NH2+]C1 ZINC000095070365 384336724 /nfs/dbraw/zinc/33/67/24/384336724.db2.gz GPOBIGMVMDFDAP-ZETCQYMHSA-N 1 0 212.684 0.582 10 0 BCAERO Clc1nccc(CN[C@H]2CCC[NH2+]C2)n1 ZINC000095070298 384337148 /nfs/dbraw/zinc/33/71/48/384337148.db2.gz YOUCHAAESAFVQG-QMMMGPOBSA-N 1 0 226.711 0.972 10 0 BCAERO O=[S@](C[C@@H]1CCCC[NH2+]1)c1ncc(F)cn1 ZINC000095071999 384340716 /nfs/dbraw/zinc/34/07/16/384340716.db2.gz RGGYSICCBVHGHI-FVMDXXJSSA-N 1 0 243.307 0.865 10 0 BCAERO COc1nccnc1CN1CCCC[C@@H]1C[NH3+] ZINC000095071615 384341047 /nfs/dbraw/zinc/34/10/47/384341047.db2.gz KUQGBPSLSJMBEU-SNVBAGLBSA-N 1 0 236.319 0.798 10 0 BCAERO C[NH2+][C@H]1CCCN(CC(=O)c2ccc[nH]2)C1 ZINC000095071488 384341063 /nfs/dbraw/zinc/34/10/63/384341063.db2.gz QCBBDRBNGQXURB-JTQLQIEISA-N 1 0 221.304 0.881 10 0 BCAERO [NH3+][C@@H]1CCN(CC(=O)c2ccccn2)C1 ZINC000095072111 384341311 /nfs/dbraw/zinc/34/13/11/384341311.db2.gz SIBPXTAUARLUHY-SECBINFHSA-N 1 0 205.261 0.297 10 0 BCAERO O=[S@](C[C@@H]1CCC[NH2+]1)c1ncc(F)cn1 ZINC000095072003 384341339 /nfs/dbraw/zinc/34/13/39/384341339.db2.gz TZERVOJFQPKUJG-AYVTZFPOSA-N 1 0 229.280 0.475 10 0 BCAERO O=S(=O)(c1ncc(F)cn1)[C@H]1CCC[NH2+]C1 ZINC000095071977 384341407 /nfs/dbraw/zinc/34/14/07/384341407.db2.gz NXDSYYTUALHWPB-QMMMGPOBSA-N 1 0 245.279 0.141 10 0 BCAERO CSc1nccnc1CN1CC[NH2+]C[C@@H]1C ZINC000095071924 384341673 /nfs/dbraw/zinc/34/16/73/384341673.db2.gz DJGKAWPDIOOEKO-VIFPVBQESA-N 1 0 238.360 0.992 10 0 BCAERO CC(=O)N1CCc2cc(C(=[NH2+])NO)ccc21 ZINC000075848078 384342688 /nfs/dbraw/zinc/34/26/88/384342688.db2.gz MQVBNXBLIRGXGT-UHFFFAOYSA-N 1 0 219.244 0.900 10 0 BCAERO [NH3+]C[C@@H]1CCCN1CC(=O)c1ccco1 ZINC000095072617 384343336 /nfs/dbraw/zinc/34/33/36/384343336.db2.gz YHIIQULZQQYLFD-VIFPVBQESA-N 1 0 208.261 0.885 10 0 BCAERO [NH3+]C[C@H]1CCN(c2ncc(Cl)cn2)C1 ZINC000095072655 384343452 /nfs/dbraw/zinc/34/34/52/384343452.db2.gz PHVKDRGGTOPRPU-SSDOTTSWSA-N 1 0 212.684 0.915 10 0 BCAERO O=S(=O)(c1ccccn1)[C@@H]1CC[NH2+]C1 ZINC000095073027 384344768 /nfs/dbraw/zinc/34/47/68/384344768.db2.gz PYXYMVLMPWWXFD-MRVPVSSYSA-N 1 0 212.274 0.217 10 0 BCAERO O=C(CNC[C@@H]1CCC[NH2+]C1)c1nccs1 ZINC000095072801 384344976 /nfs/dbraw/zinc/34/49/76/384344976.db2.gz IBKDCKKUFYEJDY-SECBINFHSA-N 1 0 239.344 0.915 10 0 BCAERO O=S(=O)(c1nccs1)[C@@H]1CC[NH2+]C1 ZINC000095073032 384345156 /nfs/dbraw/zinc/34/51/56/384345156.db2.gz ZZTKQDWULPVFSS-ZCFIWIBFSA-N 1 0 218.303 0.279 10 0 BCAERO [NH3+]C[C@@H]1CCN(Cc2nccnc2Cl)C1 ZINC000095072732 384345811 /nfs/dbraw/zinc/34/58/11/384345811.db2.gz JGDKZACGOMABNL-QMMMGPOBSA-N 1 0 226.711 0.911 10 0 BCAERO O=[S@@](C[C@@H]1CCC[NH2+]C1)c1ncccn1 ZINC000095073608 384347678 /nfs/dbraw/zinc/34/76/78/384347678.db2.gz VWCGIMUVJUSEKF-RFAUZJTJSA-N 1 0 225.317 0.584 10 0 BCAERO O=[S@](c1ccncc1)[C@@H]1CCC[NH2+]C1 ZINC000095073374 384348242 /nfs/dbraw/zinc/34/82/42/384348242.db2.gz FRMSITXZPHAAFP-YGRLFVJLSA-N 1 0 210.302 0.941 10 0 BCAERO Cn1ccnc1CS(=O)(=O)N1CCCC1 ZINC000095075595 384349993 /nfs/dbraw/zinc/34/99/93/384349993.db2.gz PGQJRAFLUHMAOA-UHFFFAOYSA-N 1 0 229.305 0.346 10 0 BCAERO O=[S@@](C[C@H]1CC[NH2+]C1)c1ccncc1 ZINC000095073658 384350393 /nfs/dbraw/zinc/35/03/93/384350393.db2.gz SOXGEGWZGHCCHL-LKFCYVNXSA-N 1 0 210.302 0.799 10 0 BCAERO O=[S@@](Cc1cccnc1)C[C@H]1CC[NH2+]C1 ZINC000095073695 384350690 /nfs/dbraw/zinc/35/06/90/384350690.db2.gz MJSCWDSGXDUCNV-XHDPSFHLSA-N 1 0 224.329 0.940 10 0 BCAERO C[C@@H]1C[C@@H](O)C[N@H+](CC(=O)N(C)C2CC2)C1 ZINC000335586885 384352518 /nfs/dbraw/zinc/35/25/18/384352518.db2.gz VUOJTNLMEJINKS-MWLCHTKSSA-N 1 0 226.320 0.310 10 0 BCAERO [NH3+][C@H](CCO)C1CN(Cc2ccccc2)C1 ZINC000095077247 384352620 /nfs/dbraw/zinc/35/26/20/384352620.db2.gz XQEDXOQECLOYJX-CYBMUJFWSA-N 1 0 220.316 0.828 10 0 BCAERO [NH3+][C@@H]1CCCC[C@@H]1NCc1cnccn1 ZINC000095077423 384352929 /nfs/dbraw/zinc/35/29/29/384352929.db2.gz USLRCNKDBAAJRH-MNOVXSKESA-N 1 0 206.293 0.836 10 0 BCAERO C[C@H]1[C@@H](O)CCC[N@@H+]1CC(=O)N1CCCC1 ZINC000335596265 384363936 /nfs/dbraw/zinc/36/39/36/384363936.db2.gz HFCYMIYTXUERFA-QWRGUYRKSA-N 1 0 226.320 0.454 10 0 BCAERO CC[C@H](NC(=O)[C@H]1C[NH2+]CCOC1)C(C)C ZINC000643658043 384372188 /nfs/dbraw/zinc/37/21/88/384372188.db2.gz NMKHMSOYYUSSDA-QWRGUYRKSA-N 1 0 228.336 0.773 10 0 BCAERO CCS(=O)(=O)N1CC[C@H]([NH3+])C1(C)C ZINC000259108295 384323224 /nfs/dbraw/zinc/32/32/24/384323224.db2.gz KOAZGNZBDCVLPB-ZETCQYMHSA-N 1 0 206.311 0.148 10 0 BCAERO C[C@H](N[C@H]1CCC[NH2+]C1)c1cnccn1 ZINC000095068254 384329197 /nfs/dbraw/zinc/32/91/97/384329197.db2.gz ZPHCZTCPPNNFLH-UWVGGRQHSA-N 1 0 206.293 0.879 10 0 BCAERO C[C@H](NC[C@H]1CC[NH2+]C1)c1cnccn1 ZINC000095068394 384329746 /nfs/dbraw/zinc/32/97/46/384329746.db2.gz MVYNNZSHJREIMY-UWVGGRQHSA-N 1 0 206.293 0.737 10 0 BCAERO C[C@H](N[C@@H]1CCC[NH2+]C1)c1cnccn1 ZINC000095068244 384329759 /nfs/dbraw/zinc/32/97/59/384329759.db2.gz ZPHCZTCPPNNFLH-VHSXEESVSA-N 1 0 206.293 0.879 10 0 BCAERO Cc1cc(C)nc([S@@](=O)C2CC[NH2+]CC2)n1 ZINC000095068878 384331965 /nfs/dbraw/zinc/33/19/65/384331965.db2.gz HCGQZKKSOFJVOA-MRXNPFEDSA-N 1 0 239.344 0.953 10 0 BCAERO Cc1ccnc(S(=O)(=O)[C@H]2CC[NH2+]C2)c1 ZINC000095069169 384332488 /nfs/dbraw/zinc/33/24/88/384332488.db2.gz GMYXLIVKKPUNNL-VIFPVBQESA-N 1 0 226.301 0.526 10 0 BCAERO Cc1ccnc(S(=O)(=O)C[C@H]2CC[NH2+]C2)c1 ZINC000095069180 384332785 /nfs/dbraw/zinc/33/27/85/384332785.db2.gz HXWOQLKTDBGMER-JTQLQIEISA-N 1 0 240.328 0.773 10 0 BCAERO Cc1ccc([S@](=O)C[C@H]2CCC[NH2+]2)nn1 ZINC000095069124 384332788 /nfs/dbraw/zinc/33/27/88/384332788.db2.gz QKIAXLCKXDTWTN-PSLIRLAXSA-N 1 0 225.317 0.645 10 0 BCAERO Cc1ccc([S@](=O)[C@H]2CC[NH2+]C2)nc1 ZINC000095069045 384332792 /nfs/dbraw/zinc/33/27/92/384332792.db2.gz KEOJTWNYMICBGK-XPTSAGLGSA-N 1 0 210.302 0.860 10 0 BCAERO Cc1cc(C)nc([S@@](=O)C[C@H]2CCC[NH2+]2)n1 ZINC000095068886 384332985 /nfs/dbraw/zinc/33/29/85/384332985.db2.gz CFQRMPHATQKNOT-QLJPJBMISA-N 1 0 239.344 0.953 10 0 BCAERO Clc1nccc(CNC[C@H]2CCC[NH2+]2)n1 ZINC000095070137 384334044 /nfs/dbraw/zinc/33/40/44/384334044.db2.gz FUYXSWYOBOVLKR-MRVPVSSYSA-N 1 0 226.711 0.972 10 0 BCAERO Clc1ccc(CNC[C@@H]2CC[NH2+]C2)nn1 ZINC000095069846 384334377 /nfs/dbraw/zinc/33/43/77/384334377.db2.gz RUZQZHCTUPCZJU-MRVPVSSYSA-N 1 0 226.711 0.829 10 0 BCAERO C[C@@H]1C[NH2+]CCN1c1ncc(Cl)cn1 ZINC000095069571 384334549 /nfs/dbraw/zinc/33/45/49/384334549.db2.gz DPQQITRXDHNWCD-SSDOTTSWSA-N 1 0 212.684 0.928 10 0 BCAERO CC(C)[C@@H](CO)C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000394045270 384394031 /nfs/dbraw/zinc/39/40/31/384394031.db2.gz LZTALUAWGVXKBZ-VXGBXAGGSA-N 1 0 214.353 0.983 10 0 BCAERO [NH3+]C[C@@H]1CCCCN1C(=O)COCC1CC1 ZINC000237830870 384398445 /nfs/dbraw/zinc/39/84/45/384398445.db2.gz CHUKVEJTPBAWRS-NSHDSACASA-N 1 0 226.320 0.753 10 0 BCAERO Cc1cc(CN2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)nn1C ZINC000647512570 384408155 /nfs/dbraw/zinc/40/81/55/384408155.db2.gz CALWRMXKAANQGB-CYZMBNFOSA-N 1 0 234.347 0.898 10 0 BCAERO CCS(=O)(=O)N1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000233838993 384409666 /nfs/dbraw/zinc/40/96/66/384409666.db2.gz ZASKGEDNQYABJV-RKDXNWHRSA-N 1 0 220.338 0.395 10 0 BCAERO Cc1c[nH]nc1CN1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000647512638 384410895 /nfs/dbraw/zinc/41/08/95/384410895.db2.gz NYHGOZNMGGKHKD-AXFHLTTASA-N 1 0 220.320 0.887 10 0 BCAERO COC(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH+](C)C)C1 ZINC000229729902 384418483 /nfs/dbraw/zinc/41/84/83/384418483.db2.gz IWCQBTYLARVESI-NXEZZACHSA-N 1 0 228.336 0.820 10 0 BCAERO Cc1cnc([C@@H](C)NC(=O)C2(C)C[NH2+]C2)o1 ZINC000335649614 384427294 /nfs/dbraw/zinc/42/72/94/384427294.db2.gz OHUHZFGMJLCDTJ-MRVPVSSYSA-N 1 0 223.276 0.770 10 0 BCAERO Cn1cc(C[NH2+]C[C@@H]2CCC[C@H]2O)cn1 ZINC000084226700 384379025 /nfs/dbraw/zinc/37/90/25/384379025.db2.gz OECRKLJGNDNRTK-WDEREUQCSA-N 1 0 209.293 0.671 10 0 BCAERO C[C@]1(O)N(CC[NH3+])C(=O)OC12CCCCC2 ZINC000000052567 384456792 /nfs/dbraw/zinc/45/67/92/384456792.db2.gz RCQWHCKOAXTVCF-SNVBAGLBSA-N 1 0 228.292 0.809 10 0 BCAERO COCCCN(C)C(=O)[C@@]1(COC)CCC[NH2+]1 ZINC000643664841 384430464 /nfs/dbraw/zinc/43/04/64/384430464.db2.gz GLNYLNYJHULZTI-LBPRGKRZSA-N 1 0 244.335 0.250 10 0 BCAERO C[C@@H]1CN(C(=O)c2n[nH]c3c2CCCC3)C[C@@H]1[NH3+] ZINC000643600325 384432545 /nfs/dbraw/zinc/43/25/45/384432545.db2.gz HTJAMVCOBIDZGI-SCZZXKLOSA-N 1 0 248.330 0.708 10 0 BCAERO C[C@@H]1CCCN(C(=O)[C@@H]2C[NH2+]CCOC2)CC1 ZINC000643665721 384438254 /nfs/dbraw/zinc/43/82/54/384438254.db2.gz VWLPUXSDHICZJN-VXGBXAGGSA-N 1 0 240.347 0.871 10 0 BCAERO C[C@H](O)C[C@H]1CCCC[N@@H+]1C[C@H]1CNC(=O)O1 ZINC000253092556 384442931 /nfs/dbraw/zinc/44/29/31/384442931.db2.gz LEEAXZLFXDSIET-HBNTYKKESA-N 1 0 242.319 0.720 10 0 BCAERO O=C([C@H]1CCC[NH2+]1)N1CCC(c2cc[nH]n2)CC1 ZINC000237999005 384460735 /nfs/dbraw/zinc/46/07/35/384460735.db2.gz BEVVQKSUSYVVEF-GFCCVEGCSA-N 1 0 248.330 0.868 10 0 BCAERO Cc1cncc(NC(=O)C2([NH3+])CCOCC2)c1 ZINC000229217907 384461854 /nfs/dbraw/zinc/46/18/54/384461854.db2.gz LLENONDCUXVORW-UHFFFAOYSA-N 1 0 235.287 0.836 10 0 BCAERO CCC[C@@H]1C[C@H]1NC(=O)C1([NH3+])CCOCC1 ZINC000229217429 384462903 /nfs/dbraw/zinc/46/29/03/384462903.db2.gz SGRGFHRTLWMSJI-NXEZZACHSA-N 1 0 226.320 0.799 10 0 BCAERO CC[C@@H]1CCC[C@@H]1NC(=O)[C@H]1C[NH2+]CCOC1 ZINC000643726144 384476844 /nfs/dbraw/zinc/47/68/44/384476844.db2.gz JPBGQBCEDIHXBB-WOPDTQHZSA-N 1 0 240.347 0.917 10 0 BCAERO CC[C@@H]1CCC[C@H]1NC(=O)[C@H]1C[NH2+]CCOC1 ZINC000643726141 384477588 /nfs/dbraw/zinc/47/75/88/384477588.db2.gz JPBGQBCEDIHXBB-GRYCIOLGSA-N 1 0 240.347 0.917 10 0 BCAERO C[C@]1(C(=O)N2CCc3n[nH]cc3C2)CCCC[NH2+]1 ZINC000335657460 384458878 /nfs/dbraw/zinc/45/88/78/384458878.db2.gz TWXGFRNRCHQIIA-CYBMUJFWSA-N 1 0 248.330 0.827 10 0 BCAERO COC(=O)[C@H]1CC[NH2+]C[C@H]1C(F)(F)F ZINC000199559039 384500597 /nfs/dbraw/zinc/50/05/97/384500597.db2.gz ZJACBBGWJGIKMF-NTSWFWBYSA-N 1 0 211.183 0.947 10 0 BCAERO Cc1cccc(CC[N@@H+]2C[C@@H](O)C[C@@H]2CO)n1 ZINC000564913361 384507147 /nfs/dbraw/zinc/50/71/47/384507147.db2.gz WRDHYNDFUUYNEX-OLZOCXBDSA-N 1 0 236.315 0.360 10 0 BCAERO COC[C@]1(C(=O)N[C@H]2CC23CC3)CCC[NH2+]1 ZINC000643839237 384509950 /nfs/dbraw/zinc/50/99/50/384509950.db2.gz GHUPFFXDZXWNRC-CABZTGNLSA-N 1 0 224.304 0.424 10 0 BCAERO CC(C)CC(=O)N[C@H](C(=O)NCC[NH3+])C(C)C ZINC000236613463 384534509 /nfs/dbraw/zinc/53/45/09/384534509.db2.gz SPEQUKYLRDQDCW-NSHDSACASA-N 1 0 243.351 0.248 10 0 BCAERO C[C@@H]1C[C@@H](C)N(C(=O)[C@@H]2CCCO2)C[C@@H]1C[NH3+] ZINC000397342481 384520489 /nfs/dbraw/zinc/52/04/89/384520489.db2.gz QPFODKBRQAKBOI-WYUUTHIRSA-N 1 0 240.347 0.997 10 0 BCAERO O=C1NCC2(CC[NH2+]CC2)Nc2ccccc21 ZINC000097673624 384543370 /nfs/dbraw/zinc/54/33/70/384543370.db2.gz FIMRMWPBZPKGDO-UHFFFAOYSA-N 1 0 231.299 0.964 10 0 BCAERO Cc1ccc(C(N)=O)cc1NC(=O)[C@H]1CC[NH2+]C1 ZINC000151193049 384549783 /nfs/dbraw/zinc/54/97/83/384549783.db2.gz KPEYAQWHYNLJAM-JTQLQIEISA-N 1 0 247.298 0.642 10 0 BCAERO CC(C)[C@H]([NH3+])C(=O)N[C@H](C)[C@@H](C)CO ZINC000163239085 384570823 /nfs/dbraw/zinc/57/08/23/384570823.db2.gz QQRIMANUFWUELM-YIZRAAEISA-N 1 0 202.298 0.103 10 0 BCAERO CCSCC[C@@H](C)NC(=O)C1C[NH2+]C1 ZINC000164146988 384584003 /nfs/dbraw/zinc/58/40/03/384584003.db2.gz GMVVUOWQQSLDEW-MRVPVSSYSA-N 1 0 216.350 0.854 10 0 BCAERO COC[C@@H](C)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000103534166 384633462 /nfs/dbraw/zinc/63/34/62/384633462.db2.gz ZNENDTCKAMAMNV-GHMZBOCLSA-N 1 0 240.347 0.869 10 0 BCAERO COC[C@@H](C)C(=O)NCC[N@H+](C)C(C)C ZINC000103521438 384630230 /nfs/dbraw/zinc/63/02/30/384630230.db2.gz QASGYGHLODCPIL-SNVBAGLBSA-N 1 0 216.325 0.725 10 0 BCAERO CS(=O)(=O)N(C1CCC1)[C@H]1CCC[NH2+]CC1 ZINC000098096507 384592516 /nfs/dbraw/zinc/59/25/16/384592516.db2.gz YEMRXLSTXYFRJL-NSHDSACASA-N 1 0 246.376 0.943 10 0 BCAERO [NH3+][C@H]1CCCN(CC(=O)c2ccc[nH]2)C1 ZINC000050149854 384597755 /nfs/dbraw/zinc/59/77/55/384597755.db2.gz XSEFIMHPJBCGLW-VIFPVBQESA-N 1 0 207.277 0.621 10 0 BCAERO CC(C)[N@H+](C[C@@H](O)CN1CCCC1=O)C1CC1 ZINC000171883268 384669787 /nfs/dbraw/zinc/66/97/87/384669787.db2.gz CVEWHNLPIQIWDT-LBPRGKRZSA-N 1 0 240.347 0.843 10 0 BCAERO COC(=O)C[C@H]1C[C@H]2[C@H](CCC[C@H]2[NH3+])O1 ZINC000082162633 384647688 /nfs/dbraw/zinc/64/76/88/384647688.db2.gz KKGAEERCEJJJSE-KYXWUPHJSA-N 1 0 213.277 0.834 10 0 BCAERO CCO[C@@H]1COCC[C@H]1[NH2+]C[C@](C)(O)CC ZINC000309618094 384655706 /nfs/dbraw/zinc/65/57/06/384655706.db2.gz DJLCFYUQEVMYMW-IJLUTSLNSA-N 1 0 231.336 0.931 10 0 BCAERO CC(=O)N[C@H](C)C(=O)N[C@@H]1CC[C@@H]([NH+](C)C)C1 ZINC000337164102 384659045 /nfs/dbraw/zinc/65/90/45/384659045.db2.gz WOSQLBWYRPHBBJ-FBIMIBRVSA-N 1 0 241.335 0.110 10 0 BCAERO Cc1c(C[NH2+]C[C@@H]2CCOC2)cnn1C ZINC000086551968 384662704 /nfs/dbraw/zinc/66/27/04/384662704.db2.gz ABCMZJNPJKSCAZ-JTQLQIEISA-N 1 0 209.293 0.855 10 0 BCAERO CC(C)(C)S(=O)(=O)N[C@@H]1CC[C@@H]([NH3+])C1 ZINC000258975296 384724745 /nfs/dbraw/zinc/72/47/45/384724745.db2.gz AHDAEOBMLOYYSC-HTQZYQBOSA-N 1 0 220.338 0.584 10 0 BCAERO O=C(CN1CC[NH2+]CC1)OCc1ccccc1 ZINC000051658457 384678870 /nfs/dbraw/zinc/67/88/70/384678870.db2.gz FDTQLXHLYYPMEG-UHFFFAOYSA-N 1 0 234.299 0.635 10 0 BCAERO COC[C@]1(C(=O)N[C@H]2CCCOC2)CCC[NH2+]1 ZINC000643680052 384684321 /nfs/dbraw/zinc/68/43/21/384684321.db2.gz ZEUVMSRICCMRPZ-JQWIXIFHSA-N 1 0 242.319 0.050 10 0 BCAERO CC(C)(C)OC(=O)N1CCNCC[NH2+]CC1 ZINC000141935011 384686148 /nfs/dbraw/zinc/68/61/48/384686148.db2.gz JUXSGTOWKOLPFV-UHFFFAOYSA-N 1 0 229.324 0.416 10 0 BCAERO Clc1cnc(N2CCC[NH2+]CC2)nc1 ZINC000082533738 384691010 /nfs/dbraw/zinc/69/10/10/384691010.db2.gz WTWBRLFXIVDCRR-UHFFFAOYSA-N 1 0 212.684 0.930 10 0 BCAERO Cc1cnc(CN2CCO[C@H](C[NH+](C)C)C2)o1 ZINC000173701098 384710347 /nfs/dbraw/zinc/71/03/47/384710347.db2.gz LNVNTMCMESYHMV-LLVKDONJSA-N 1 0 239.319 0.745 10 0 BCAERO CC(C)(C)OC(=O)N1CCC[C@H]([NH3+])[C@H](O)C1 ZINC000142827980 384710693 /nfs/dbraw/zinc/71/06/93/384710693.db2.gz YLLLNYLAZHPCNH-DTWKUNHWSA-N 1 0 230.308 0.706 10 0 BCAERO COC[C@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000125867328 384718213 /nfs/dbraw/zinc/71/82/13/384718213.db2.gz QQJWDXBBBSVCJA-OPRDCNLKSA-N 1 0 203.282 0.103 10 0 BCAERO CC(C)[C@H](CO)[NH2+]C[C@@H](O)C(C)(C)C ZINC000308516385 384777594 /nfs/dbraw/zinc/77/75/94/384777594.db2.gz FHCLHCDWIHMHML-VHSXEESVSA-N 1 0 203.326 1.000 10 0 BCAERO Cc1c(C[NH2+]C[C@H]2CCCN2C)cnn1C ZINC000126223375 384779050 /nfs/dbraw/zinc/77/90/50/384779050.db2.gz PVPDTHAJNGLJRE-GFCCVEGCSA-N 1 0 222.336 0.912 10 0 BCAERO CS(=O)(=O)c1ccc([C@H](N)C[NH3+])cc1 ZINC000044470100 384732921 /nfs/dbraw/zinc/73/29/21/384732921.db2.gz YWVWBMPSAZMKBB-SECBINFHSA-N 1 0 214.290 0.049 10 0 BCAERO CC1(C(=O)NC[C@H]2CCCC[C@@H]2O)C[NH2+]C1 ZINC000335017961 384772578 /nfs/dbraw/zinc/77/25/78/384772578.db2.gz CYPQMSQYRFPHPB-ZJUUUORDSA-N 1 0 226.320 0.263 10 0 BCAERO C[NH+](C)C[C@H]1CN(CC(F)(F)F)CCO1 ZINC000105925807 384819040 /nfs/dbraw/zinc/81/90/40/384819040.db2.gz FBQYVYCHWDFCTC-QMMMGPOBSA-N 1 0 226.242 0.811 10 0 BCAERO CC[C@@H](C)CN(C)C(=O)[C@@H]1C[NH2+]CCOC1 ZINC000643688875 384826025 /nfs/dbraw/zinc/82/60/25/384826025.db2.gz MRURSMOWBKACHV-GHMZBOCLSA-N 1 0 228.336 0.727 10 0 BCAERO C[NH+](C)[C@@H]1CCN(C(=O)[C@H]([NH3+])C2CCC2)C1 ZINC000335050911 384785219 /nfs/dbraw/zinc/78/52/19/384785219.db2.gz LDNLIPROXPNRAD-GHMZBOCLSA-N 1 0 225.336 0.276 10 0 BCAERO COC[C@H]([NH2+]C[C@@H]1CNC(=O)O1)C1CC1 ZINC000308917742 533089075 /nfs/dbraw/zinc/08/90/75/533089075.db2.gz GJGSKEOCKQCBRU-BDAKNGLRSA-N 1 0 214.265 0.109 10 0 BCAERO C[C@@H]([NH2+]C(CO)CO)c1ccccc1F ZINC000083692973 384793501 /nfs/dbraw/zinc/79/35/01/384793501.db2.gz CCGUPUUHCQZDPT-MRVPVSSYSA-N 1 0 213.252 0.830 10 0 BCAERO COC[C@H]([NH3+])C(=O)NC[C@H](C)CC(F)F ZINC000648194069 384812769 /nfs/dbraw/zinc/81/27/69/384812769.db2.gz RVGQLJDTZXZBLL-RQJHMYQMSA-N 1 0 224.251 0.368 10 0 BCAERO CO[C@H]1C[C@@H](CO)[N@H+](Cc2cccc(O)c2)C1 ZINC000310185645 384883292 /nfs/dbraw/zinc/88/32/92/384883292.db2.gz XLVLTMKVDPVDOC-AAEUAGOBSA-N 1 0 237.299 0.974 10 0 BCAERO CO[C@H]1C[C@H](CO)[N@H+](Cc2cncc(C)c2)C1 ZINC000310108063 384838993 /nfs/dbraw/zinc/83/89/93/384838993.db2.gz DLHQHLJVNHEYCX-OLZOCXBDSA-N 1 0 236.315 0.972 10 0 BCAERO CCC[C@@H]1C[C@@H]1NC(=O)[C@@H]1C[NH2+]CCOC1 ZINC000643728477 384841125 /nfs/dbraw/zinc/84/11/25/384841125.db2.gz CRCKZEGYTMXPFI-MXWKQRLJSA-N 1 0 226.320 0.527 10 0 BCAERO CC(C)(C)OC(=O)NCCc1nnc(C[NH3+])[nH]1 ZINC000072236519 384842825 /nfs/dbraw/zinc/84/28/25/384842825.db2.gz FAGFXWJSRCDPJI-UHFFFAOYSA-N 1 0 241.295 0.331 10 0 BCAERO CCC[C@@H]1C[C@H]1NC(=O)[C@@H]1C[NH2+]CCOC1 ZINC000643728476 384843523 /nfs/dbraw/zinc/84/35/23/384843523.db2.gz CRCKZEGYTMXPFI-GMTAPVOTSA-N 1 0 226.320 0.527 10 0 BCAERO [NH3+]C[C@@H](O)[C@H]1CCc2cc(F)ccc2O1 ZINC000038258282 384850794 /nfs/dbraw/zinc/85/07/94/384850794.db2.gz XEWOKAJCYBGRTK-MWLCHTKSSA-N 1 0 211.236 0.839 10 0 in-vitro BCAERO CC(C)(C)OC(=O)N[C@@H]1CO[C@H]2C[NH2+]C[C@H]21 ZINC000140805269 384856578 /nfs/dbraw/zinc/85/65/78/384856578.db2.gz DXQODYVKRDPTKR-YIZRAAEISA-N 1 0 228.292 0.498 10 0 BCAERO O=c1[nH]c2nccnc2n1C1CC[NH2+]CC1 ZINC000084310122 384860362 /nfs/dbraw/zinc/86/03/62/384860362.db2.gz AEUJTZJJOJMFJG-UHFFFAOYSA-N 1 0 219.248 0.044 10 0 BCAERO Nc1nnc(SC2CC[NH2+]CC2)s1 ZINC000043501292 384862179 /nfs/dbraw/zinc/86/21/79/384862179.db2.gz PTQPDUJCLNBBJP-UHFFFAOYSA-N 1 0 216.335 0.964 10 0 BCAERO CC(C)(C)OC(=O)[C@@H]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC000148053597 384868491 /nfs/dbraw/zinc/86/84/91/384868491.db2.gz VTFJLPVDBYVBKB-DJLDLDEBSA-N 1 0 215.293 0.674 10 0 BCAERO C[NH+](C)C[C@@H]1CN(CCc2ccncc2)CCO1 ZINC000105925239 384891346 /nfs/dbraw/zinc/89/13/46/384891346.db2.gz ZISHVJQTQCSEKZ-CQSZACIVSA-N 1 0 249.358 0.887 10 0 BCAERO Cc1cc(N2CC[C@H]3OCC[NH2+][C@@H]3C2)nc(C)n1 ZINC000404092951 384896528 /nfs/dbraw/zinc/89/65/28/384896528.db2.gz UYHOLRARTAZFQC-VXGBXAGGSA-N 1 0 248.330 0.661 10 0 BCAERO CC[C@](C)(O)C[N@H+](C)C[C@@H]1CCN(C(C)=O)C1 ZINC000162065194 384897303 /nfs/dbraw/zinc/89/73/03/384897303.db2.gz HRRRHVMYSIRTKZ-STQMWFEESA-N 1 0 242.363 0.948 10 0 BCAERO OCC1(CN2CC[N@@H+]3CCCC[C@@H]3C2)COC1 ZINC000246240171 384907352 /nfs/dbraw/zinc/90/73/52/384907352.db2.gz NWMJYPGXWPDNAH-GFCCVEGCSA-N 1 0 240.347 0.165 10 0 BCAERO Cc1nn(C)c2nccc(N(C)CC[NH3+])c12 ZINC000257752995 384925093 /nfs/dbraw/zinc/92/50/93/384925093.db2.gz KYKDMVNNKAKGPA-UHFFFAOYSA-N 1 0 219.292 0.672 10 0 BCAERO [NH3+][C@@H](CO)[C@@H](O)c1ccc(F)c(F)c1 ZINC000085275989 384932367 /nfs/dbraw/zinc/93/23/67/384932367.db2.gz AGMZTHCXWXPCFR-IUCAKERBSA-N 1 0 203.188 0.318 10 0 BCAERO COC[C@@H](C)[NH2+][C@H]1CCc2nc[nH]c2C1 ZINC000368090434 384938377 /nfs/dbraw/zinc/93/83/77/384938377.db2.gz RHASOSXRYXKRQE-BDAKNGLRSA-N 1 0 209.293 0.892 10 0 BCAERO CO[C@H]1C[C@@H](CO)[N@H+](Cc2ccncc2)C1 ZINC000309305002 384946571 /nfs/dbraw/zinc/94/65/71/384946571.db2.gz VIWJVUNLJXVYOR-RYUDHWBXSA-N 1 0 222.288 0.663 10 0 BCAERO [NH3+]C[C@@H]1CCCCN1C(=O)c1cc[nH]c(=O)c1 ZINC000226232782 384948300 /nfs/dbraw/zinc/94/83/00/384948300.db2.gz FHOZLBGHRFEPMY-JTQLQIEISA-N 1 0 235.287 0.328 10 0 BCAERO C[C@@H](O)C1CCN(C(=O)[C@]2(C)CC[NH2+]C2)CC1 ZINC000226332525 384981746 /nfs/dbraw/zinc/98/17/46/384981746.db2.gz YFEGULJMBVLCLM-ZWNOBZJWSA-N 1 0 240.347 0.605 10 0 BCAERO CC(C)[C@H](CO)[NH2+]C[C@@H](O)COC(C)(C)C ZINC000086124667 384991366 /nfs/dbraw/zinc/99/13/66/384991366.db2.gz MKXBNBRYFZIPMH-MNOVXSKESA-N 1 0 233.352 0.769 10 0 BCAERO OCCN1CCC[C@H]([NH2+]Cc2ccns2)C1 ZINC000404433367 384991789 /nfs/dbraw/zinc/99/17/89/384991789.db2.gz PCZPNTZUFUITEH-JTQLQIEISA-N 1 0 241.360 0.689 10 0 BCAERO C[C@@H](NC(=O)[C@@H]1CC[NH2+]C1)C1CCOCC1 ZINC000226372145 385000021 /nfs/dbraw/zinc/00/00/21/385000021.db2.gz MXPCRMYNSOHJDQ-MWLCHTKSSA-N 1 0 226.320 0.527 10 0 BCAERO Cn1cccc1CN1CCO[C@H](C[NH+](C)C)C1 ZINC000128192641 385012445 /nfs/dbraw/zinc/01/24/45/385012445.db2.gz VMVKJHPCOZEWFP-CYBMUJFWSA-N 1 0 237.347 0.788 10 0 BCAERO C[N@H+](C[C@@H]1CNCCO1)[C@@H]1CCSC1 ZINC000043802194 385049582 /nfs/dbraw/zinc/04/95/82/385049582.db2.gz YLEZZEGXKCKGNP-ZJUUUORDSA-N 1 0 216.350 0.412 10 0 BCAERO COC[C@]1(C(=O)N[C@H]2CCO[C@H]2C)CCC[NH2+]1 ZINC000643768057 385051010 /nfs/dbraw/zinc/05/10/10/385051010.db2.gz PJMHGHAWTCVKFY-NHCYSSNCSA-N 1 0 242.319 0.049 10 0 BCAERO Cc1cc(C)n(CC(=O)N2CC[C@@H]([NH3+])[C@H]2C)n1 ZINC000310424689 385057843 /nfs/dbraw/zinc/05/78/43/385057843.db2.gz ZUSDCVYCJAQXAM-GHMZBOCLSA-N 1 0 236.319 0.448 10 0 BCAERO Cc1cc(CC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)[nH]n1 ZINC000176299307 385059358 /nfs/dbraw/zinc/05/93/58/385059358.db2.gz ONAWEDYLQNZFJI-GFCCVEGCSA-N 1 0 248.330 0.567 10 0 BCAERO Cc1c(C[NH2+]CC(=O)NC2CC2)cnn1C ZINC000086551943 385027142 /nfs/dbraw/zinc/02/71/42/385027142.db2.gz ZUSISHDEJOIHAM-UHFFFAOYSA-N 1 0 222.292 0.097 10 0 BCAERO O=C(Nc1ccc(O)cc1)[C@H]1C[NH2+]CCOC1 ZINC000643767936 385045673 /nfs/dbraw/zinc/04/56/73/385045673.db2.gz IYPCSQPRFGPYJA-VIFPVBQESA-N 1 0 236.271 0.567 10 0 BCAERO CN(C)c1nc[nH+]c(NN)c1Br ZINC000234239592 385115315 /nfs/dbraw/zinc/11/53/15/385115315.db2.gz TVMSVTAPEALZIB-UHFFFAOYSA-N 1 0 232.085 0.591 10 0 BCAERO COC[C@H]([NH3+])C(=O)N1CCC[C@@H]2CCC[C@H]21 ZINC000227313188 385117455 /nfs/dbraw/zinc/11/74/55/385117455.db2.gz JWGFLMMWSSXEHP-GARJFASQSA-N 1 0 226.320 0.751 10 0 BCAERO COC[C@H]([NH3+])C(=O)N1CCC[C@H]2CCC[C@H]21 ZINC000227313204 385118045 /nfs/dbraw/zinc/11/80/45/385118045.db2.gz JWGFLMMWSSXEHP-OUAUKWLOSA-N 1 0 226.320 0.751 10 0 BCAERO [NH3+][C@@H]1CCC[C@H](C(=O)N[C@@H]2CCCC[C@H]2O)C1 ZINC000227327822 385124482 /nfs/dbraw/zinc/12/44/82/385124482.db2.gz AAIRHZPDFCORJV-IRCOFANPSA-N 1 0 240.347 0.924 10 0 BCAERO CC(C)(C[NH3+])C(=O)N[C@@H]1CCCOC1 ZINC000071013925 385128739 /nfs/dbraw/zinc/12/87/39/385128739.db2.gz KINHPKKAZDVYRF-MRVPVSSYSA-N 1 0 200.282 0.267 10 0 BCAERO O=C(NC[C@@H]1CC[NH2+]C1)c1n[nH]c2c1CCCC2 ZINC000646967489 385093114 /nfs/dbraw/zinc/09/31/14/385093114.db2.gz VPRBNDGFTPWKID-SECBINFHSA-N 1 0 248.330 0.628 10 0 BCAERO C[C@H](CC(N)=O)[NH2+][C@H]1CCCC[C@H]1CO ZINC000304746802 385151979 /nfs/dbraw/zinc/15/19/79/385151979.db2.gz VLKAGFPENIWOMR-UTLUCORTSA-N 1 0 214.309 0.391 10 0 BCAERO C[C@H](CCCO)NC(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000227543649 385158994 /nfs/dbraw/zinc/15/89/94/385158994.db2.gz UERGXHINKWZGCX-OUAUKWLOSA-N 1 0 228.336 0.781 10 0 BCAERO C[NH2+][C@@H](C)CNC(=O)c1n[nH]c2c1CCCC2 ZINC000647033227 385170948 /nfs/dbraw/zinc/17/09/48/385170948.db2.gz RRUFQZFTRNSMJW-QMMMGPOBSA-N 1 0 236.319 0.626 10 0 BCAERO Cc1cccc(CC(=O)NC[C@@H]2C[NH2+]C[C@H]2O)c1 ZINC000647039636 385175304 /nfs/dbraw/zinc/17/53/04/385175304.db2.gz TZIXSXAXRNCVDU-QWHCGFSZSA-N 1 0 248.326 0.234 10 0 BCAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)[C@@H]1CC12CCOCC2 ZINC000647044135 385179109 /nfs/dbraw/zinc/17/91/09/385179109.db2.gz CDQYDCJECPRQTK-OUAUKWLOSA-N 1 0 238.331 0.751 10 0 BCAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)c1cnn2ccccc12 ZINC000310822684 385179668 /nfs/dbraw/zinc/17/96/68/385179668.db2.gz XJYCVYHHRTVGJJ-MWLCHTKSSA-N 1 0 244.298 0.896 10 0 BCAERO Cn1cccc(NC(=O)[C@H]2CCC[C@@H]([NH3+])C2)c1=O ZINC000157587055 385221301 /nfs/dbraw/zinc/22/13/01/385221301.db2.gz YOJXHGUWQDIJAK-VHSXEESVSA-N 1 0 249.314 0.841 10 0 BCAERO C[C@H]([NH2+]CCN1CCOCC1)[C@H]1CCCO1 ZINC000035735741 385232966 /nfs/dbraw/zinc/23/29/66/385232966.db2.gz IGOJATDYHOIWJF-NWDGAFQWSA-N 1 0 228.336 0.476 10 0 BCAERO Cc1cnc(C)c(NC[C@@H]2C[NH2+]CCO2)n1 ZINC000227786431 385233286 /nfs/dbraw/zinc/23/32/86/385233286.db2.gz XALXJJRSPXRRPT-JTQLQIEISA-N 1 0 222.292 0.494 10 0 BCAERO COC[C@@H]1CCN(C(=O)[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC000227795122 385239004 /nfs/dbraw/zinc/23/90/04/385239004.db2.gz ONABNKZSDUWUNP-OUAUKWLOSA-N 1 0 226.320 0.609 10 0 BCAERO C[C@@H](O)C[N@@H+]1C[C@H]2CCCCN2C[C@@H]1C ZINC000086930013 385244767 /nfs/dbraw/zinc/24/47/67/385244767.db2.gz PVVHJBBMCPYSAL-QJPTWQEYSA-N 1 0 212.337 0.926 10 0 BCAERO C[C@H]1CN(C(=O)CCn2ccccc2=O)C[C@H]1[NH3+] ZINC000647084507 385245958 /nfs/dbraw/zinc/24/59/58/385245958.db2.gz BJYIKSXRPOOGOK-WDEREUQCSA-N 1 0 249.314 0.044 10 0 BCAERO Cc1nnsc1C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000190509031 385246211 /nfs/dbraw/zinc/24/62/11/385246211.db2.gz VUBIIKARZAIHCE-MRVPVSSYSA-N 1 0 240.332 0.623 10 0 BCAERO C[C@@H]1CN(C(=O)c2ccnc(N(C)C)c2)C[C@@H]1[NH3+] ZINC000647084665 385246250 /nfs/dbraw/zinc/24/62/50/385246250.db2.gz UFEXYWSZDZZLOU-KOLCDFICSA-N 1 0 248.330 0.567 10 0 BCAERO C[C@H]([NH2+][C@H](CO)c1ccccc1)C(=O)N(C)C ZINC000063003032 385203170 /nfs/dbraw/zinc/20/31/70/385203170.db2.gz BIXWJBUBSWGYAL-CMPLNLGQSA-N 1 0 236.315 0.786 10 0 BCAERO [NH3+]C[C@H]1CN(Cc2ccccc2)CCN1 ZINC000259351016 385303660 /nfs/dbraw/zinc/30/36/60/385303660.db2.gz SZXCNYQQYPARBF-LBPRGKRZSA-N 1 0 205.305 0.419 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N1CCC([C@H](C)O)CC1 ZINC000157779162 385277570 /nfs/dbraw/zinc/27/75/70/385277570.db2.gz WMXLYGQFKDDKMP-ONGXEEELSA-N 1 0 228.336 0.733 10 0 BCAERO [NH3+]C[C@@H](O)[C@@H]1CCc2cc(F)ccc2O1 ZINC000034566235 385284625 /nfs/dbraw/zinc/28/46/25/385284625.db2.gz XEWOKAJCYBGRTK-KOLCDFICSA-N 1 0 211.236 0.839 10 0 in-vitro BCAERO C[C@H](CO)C[NH2+][C@H]1CCC(=O)NC1(C)C ZINC000309011317 385359672 /nfs/dbraw/zinc/35/96/72/385359672.db2.gz RYOIUIAXVWWWIJ-IUCAKERBSA-N 1 0 214.309 0.262 10 0 BCAERO Cc1nocc1C(=O)N[C@H]1CCC[NH2+][C@@H]1C ZINC000402860698 385361790 /nfs/dbraw/zinc/36/17/90/385361790.db2.gz ZJZDZUDAJBLESE-SCZZXKLOSA-N 1 0 223.276 0.853 10 0 BCAERO Cc1nocc1C(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000402860699 385361822 /nfs/dbraw/zinc/36/18/22/385361822.db2.gz ZJZDZUDAJBLESE-WCBMZHEXSA-N 1 0 223.276 0.853 10 0 BCAERO CCSCC[NH2+][C@H]1CCc2ncnn2C1 ZINC000309030074 385379307 /nfs/dbraw/zinc/37/93/07/385379307.db2.gz DCFWIJBOAAVUBG-VIFPVBQESA-N 1 0 226.349 0.936 10 0 BCAERO c1cn2c(n1)CC[C@@H]([NH2+][C@H]1CCOC1)C2 ZINC000308985553 385325456 /nfs/dbraw/zinc/32/54/56/385325456.db2.gz JNLXZHVXHJFXKC-ZJUUUORDSA-N 1 0 207.277 0.576 10 0 BCAERO COC(=O)C[C@@H]1C[C@H]2[C@@H](CCC[C@@H]2[NH3+])O1 ZINC000169617504 385415659 /nfs/dbraw/zinc/41/56/59/385415659.db2.gz KKGAEERCEJJJSE-QCLAVDOMSA-N 1 0 213.277 0.834 10 0 BCAERO O=C(C[C@@H]1CSCC[NH2+]1)N[C@H]1CCCOC1 ZINC000085614416 134449541 /nfs/dbraw/zinc/44/95/41/134449541.db2.gz PGWIMTUCSWKKOO-VHSXEESVSA-N 1 0 244.360 0.377 10 0 BCAERO COC(=O)[C@H]1C[N@@H+]([C@H](C)C(C)C)CCO1 ZINC000319554660 385447309 /nfs/dbraw/zinc/44/73/09/385447309.db2.gz JYQNHWCXIKSZGZ-NXEZZACHSA-N 1 0 215.293 0.905 10 0 BCAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]C[C@@H]1CCC=CO1 ZINC000281729333 385447590 /nfs/dbraw/zinc/44/75/90/385447590.db2.gz JFJUCHMJZBIBQC-GARJFASQSA-N 1 0 224.304 0.936 10 0 BCAERO Cc1cnc(C(=O)N2CC[C@H]([NH+](C)C)C2)cn1 ZINC000170863418 385450802 /nfs/dbraw/zinc/45/08/02/385450802.db2.gz FNFXFTGBHQMAHJ-JTQLQIEISA-N 1 0 234.303 0.561 10 0 BCAERO C[NH+](C)[C@H]1CCN(C(=O)c2cnsn2)C1 ZINC000170865204 385451077 /nfs/dbraw/zinc/45/10/77/385451077.db2.gz RDAWPPDBMPAGLU-ZETCQYMHSA-N 1 0 226.305 0.314 10 0 BCAERO C[NH+](C)[C@H]1CCN(C(=O)Cn2cccn2)C1 ZINC000170857426 385451246 /nfs/dbraw/zinc/45/12/46/385451246.db2.gz GKQKWQYKRZRDDB-JTQLQIEISA-N 1 0 222.292 0.046 10 0 BCAERO C[NH+](C)[C@H]1CCN(C(=O)c2csnn2)C1 ZINC000170866356 385451634 /nfs/dbraw/zinc/45/16/34/385451634.db2.gz OSTANKGOXGCRKJ-ZETCQYMHSA-N 1 0 226.305 0.314 10 0 BCAERO C[NH+](C)[C@@H]1CCN(C(=O)NCc2ccccn2)C1 ZINC000170861518 385451770 /nfs/dbraw/zinc/45/17/70/385451770.db2.gz PEUZQDURJKLRFH-GFCCVEGCSA-N 1 0 248.330 0.927 10 0 BCAERO C[NH+](C)[C@@H]1CCN(C(=O)CCn2cccn2)C1 ZINC000170867726 385451827 /nfs/dbraw/zinc/45/18/27/385451827.db2.gz IDTFZLJQRWAIRL-LLVKDONJSA-N 1 0 236.319 0.436 10 0 BCAERO CC(C)[C@H]([NH3+])C(=O)NC1=NCCS1 ZINC000236736084 385429116 /nfs/dbraw/zinc/42/91/16/385429116.db2.gz PIWDJEFAJNQRFI-LURJTMIESA-N 1 0 201.295 0.189 10 0 BCAERO Cn1cnc(C(=O)N2CC[C@@H]([NH+](C)C)C2)c1 ZINC000179321724 385458422 /nfs/dbraw/zinc/45/84/22/385458422.db2.gz BGDPWQKHGRPLMZ-SECBINFHSA-N 1 0 222.292 0.196 10 0 BCAERO O=C(c1ccnnc1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000178974659 385431696 /nfs/dbraw/zinc/43/16/96/385431696.db2.gz PVHGILHLOZCWIK-NSHDSACASA-N 1 0 232.287 0.397 10 0 BCAERO c1nc2n(n1)C[C@@H]([NH2+]C[C@H]1CCC=CO1)CC2 ZINC000194396828 385433343 /nfs/dbraw/zinc/43/33/43/385433343.db2.gz SWXXOOCPAWFSFK-WDEREUQCSA-N 1 0 234.303 0.875 10 0 BCAERO CC[C@H](O)C[NH+]1CCN(C[C@@H](C)OC)CC1 ZINC000182195224 385434294 /nfs/dbraw/zinc/43/42/94/385434294.db2.gz YTSRBOXRHSRVNZ-NEPJUHHUSA-N 1 0 230.352 0.410 10 0 BCAERO CCOc1nccnc1N1CCC[C@H]([NH3+])C1 ZINC000642986971 385492173 /nfs/dbraw/zinc/49/21/73/385492173.db2.gz VNUJSMLUUPFAAP-VIFPVBQESA-N 1 0 222.292 0.803 10 0 BCAERO CO[C@@H]1C[C@H](CO)[N@H+](Cc2cccnc2)C1 ZINC000309292973 385513841 /nfs/dbraw/zinc/51/38/41/385513841.db2.gz QQIHYBATFZXDTB-VXGBXAGGSA-N 1 0 222.288 0.663 10 0 BCAERO c1cn2c(n1)CC[C@H]([NH2+][C@H]1CCCOC1)C2 ZINC000309317649 385529649 /nfs/dbraw/zinc/52/96/49/385529649.db2.gz DLICBXSZJQVZNX-QWRGUYRKSA-N 1 0 221.304 0.967 10 0 BCAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)Cc1ccncc1 ZINC000309346208 385544059 /nfs/dbraw/zinc/54/40/59/385544059.db2.gz WOZSHVMBFOZFKW-MWLCHTKSSA-N 1 0 219.288 0.572 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@@H]1C[C@H]2C[C@H]2C1 ZINC000397700494 385575802 /nfs/dbraw/zinc/57/58/02/385575802.db2.gz IJRJEKJSHWKDSP-KAMPLNKDSA-N 1 0 208.305 0.757 10 0 BCAERO C[C@@H]([NH3+])CCNC(=O)[C@@H]1CCCOC1 ZINC000063170053 385596445 /nfs/dbraw/zinc/59/64/45/385596445.db2.gz MYFFIZMWLYXZOK-RKDXNWHRSA-N 1 0 200.282 0.267 10 0 BCAERO C[C@H]([NH2+]C[C@H](O)CN(C)C1CC1)[C@H]1CCCO1 ZINC000336677018 385605898 /nfs/dbraw/zinc/60/58/98/385605898.db2.gz CIVDZQZSSWLOHO-WCFLWFBJSA-N 1 0 242.363 0.599 10 0 BCAERO COCc1noc(C[C@H]2CCC[NH2+]C2)n1 ZINC000054301548 385613874 /nfs/dbraw/zinc/61/38/74/385613874.db2.gz USENJQBHBFQSGP-MRVPVSSYSA-N 1 0 211.265 0.758 10 0 BCAERO CC(C)N1CCN(C(C)C)[C@@H](C2=[NH+]CCN2)C1 ZINC000058482474 385654233 /nfs/dbraw/zinc/65/42/33/385654233.db2.gz UBLHYKNVKKEDSV-GFCCVEGCSA-N 1 0 238.379 0.791 10 0 BCAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]CCc1ccncc1 ZINC000289305428 385679725 /nfs/dbraw/zinc/67/97/25/385679725.db2.gz ARCSNUWMKSRVOC-CMPLNLGQSA-N 1 0 233.315 0.881 10 0 BCAERO [NH3+][C@@H]1C[C@@H]1CN1c2ccccc2CC1=O ZINC000211937478 385701742 /nfs/dbraw/zinc/70/17/42/385701742.db2.gz XJFTVWQDVGGYCL-NXEZZACHSA-N 1 0 202.257 0.923 10 0 BCAERO C[C@H](N[C@H]1C[N@H+](C)C[C@@H]1C)c1ncnn1C ZINC000309584480 385715405 /nfs/dbraw/zinc/71/54/05/385715405.db2.gz RJNAQOHADHAWEA-GUBZILKMSA-N 1 0 223.324 0.416 10 0 BCAERO [NH3+][C@@H]1COc2c(F)cc(F)cc2[C@H]1O ZINC000207022840 385670534 /nfs/dbraw/zinc/67/05/34/385670534.db2.gz VVGXPVTZHDXFRP-HTQZYQBOSA-N 1 0 201.172 0.718 10 0 BCAERO CCC[C@H](C(=O)N1CC[C@H](O)[C@H](C)C1)[NH+](C)C ZINC000186727581 385786967 /nfs/dbraw/zinc/78/69/67/385786967.db2.gz IEEKTHKDGJDNQN-UTUOFQBUSA-N 1 0 242.363 0.946 10 0 BCAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]Cc1ccn(C)n1 ZINC000336737256 385757729 /nfs/dbraw/zinc/75/77/29/385757729.db2.gz JHKRTDQGUYXYKO-WPRPVWTQSA-N 1 0 222.292 0.177 10 0 BCAERO C[C@H](C(N)=S)[N@@H+]1CCOC[C@@H](C)C1 ZINC000306981692 385787133 /nfs/dbraw/zinc/78/71/33/385787133.db2.gz IGHLLSAAMNYUAY-JGVFFNPUSA-N 1 0 202.323 0.629 10 0 BCAERO CC[N@@H+]1CC[C@@H](NCc2n[nH]cc2C)C1 ZINC000414557305 385763036 /nfs/dbraw/zinc/76/30/36/385763036.db2.gz WTZRUENGDFLBLQ-SNVBAGLBSA-N 1 0 208.309 0.902 10 0 BCAERO COC[C@H](C)[NH2+]Cc1ccnc(N(C)C)n1 ZINC000309659623 385779173 /nfs/dbraw/zinc/77/91/73/385779173.db2.gz QYIUVPYBICTOLQ-VIFPVBQESA-N 1 0 224.308 0.667 10 0 BCAERO CCCCOCC[N@@H+]1CCC[C@](O)(C(N)=O)C1 ZINC000336703797 385781476 /nfs/dbraw/zinc/78/14/76/385781476.db2.gz LQCHNXPQOIUYTK-GFCCVEGCSA-N 1 0 244.335 0.115 10 0 BCAERO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)CC(F)(F)F ZINC000307374360 385722666 /nfs/dbraw/zinc/72/26/66/385722666.db2.gz XUQOTXUOPXZQOT-PHDIDXHHSA-N 1 0 210.199 0.887 10 0 BCAERO CC[C@H](Cn1cncn1)[NH2+][C@@H]1CCO[C@@H]1C ZINC000336740744 385812879 /nfs/dbraw/zinc/81/28/79/385812879.db2.gz QKXKBLRDXMOXBL-GMTAPVOTSA-N 1 0 224.308 0.824 10 0 BCAERO Cn1ncc(Br)c1[C@@H](O)C1([NH3+])CC1 ZINC000575528466 385851430 /nfs/dbraw/zinc/85/14/30/385851430.db2.gz SNEXAGLYTREMNR-SSDOTTSWSA-N 1 0 246.108 0.707 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N1CC[C@H]2CC[C@@H](C1)S2 ZINC000638537514 385793386 /nfs/dbraw/zinc/79/33/86/385793386.db2.gz ZVSDBJDBBNUUEG-KXUCPTDWSA-N 1 0 244.360 0.457 10 0 BCAERO CCc1nnc(CN2CCC[NH2+]CC2)n1C ZINC000647811023 385862396 /nfs/dbraw/zinc/86/23/96/385862396.db2.gz DTTZBTAYKOXZEK-UHFFFAOYSA-N 1 0 223.324 0.173 10 0 BCAERO Cc1ccc(O)c(C[NH2+][C@@H]2CCCNC2=O)n1 ZINC000112716919 385862689 /nfs/dbraw/zinc/86/26/89/385862689.db2.gz LAGFNVRENDBGIR-SECBINFHSA-N 1 0 235.287 0.464 10 0 BCAERO CC(C)n1nnnc1CN1CCC[C@H]([NH3+])C1 ZINC000647813438 385867068 /nfs/dbraw/zinc/86/70/68/385867068.db2.gz FSXWXDAJNPEJOF-VIFPVBQESA-N 1 0 224.312 0.177 10 0 BCAERO [NH3+][C@@H]1CCCc2c1cnn2-c1ncccn1 ZINC000072415649 385927985 /nfs/dbraw/zinc/92/79/85/385927985.db2.gz NIOLPNWNKMIZNL-SECBINFHSA-N 1 0 215.260 0.998 10 0 BCAERO Cn1ncc(Br)c1[C@@H]1COC[C@@H]1[NH3+] ZINC000575531649 385877288 /nfs/dbraw/zinc/87/72/88/385877288.db2.gz QPTJEOAXFPNQBE-VDTYLAMSSA-N 1 0 246.108 0.624 10 0 BCAERO CC(C)n1nnnc1CN1CC[C@@H](C[NH3+])C1 ZINC000647830239 385878989 /nfs/dbraw/zinc/87/89/89/385878989.db2.gz BLOCOGLNPORLFC-VIFPVBQESA-N 1 0 224.312 0.035 10 0 BCAERO C[C@@H](NC(=O)[C@H]1C[C@@H]([NH3+])C1)[C@H]1CCCO1 ZINC000647982029 385941560 /nfs/dbraw/zinc/94/15/60/385941560.db2.gz RUQHIBHQXDSLHS-DOLQZWNJSA-N 1 0 212.293 0.407 10 0 BCAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]C[C@H]1CCSC1 ZINC000336746763 385964895 /nfs/dbraw/zinc/96/48/95/385964895.db2.gz BYFOKVWPRMMJPT-IVZWLZJFSA-N 1 0 228.361 0.996 10 0 BCAERO COC1(CC(=O)N2CC[C@@H]([NH3+])[C@H]2C)CCC1 ZINC000309334782 386008203 /nfs/dbraw/zinc/00/82/03/386008203.db2.gz UBFGTSJIBGDHCW-NXEZZACHSA-N 1 0 226.320 0.894 10 0 BCAERO C[C@@H]1C[C@H]1C[NH2+][C@@H]1CCc2ncnn2C1 ZINC000336751528 386010378 /nfs/dbraw/zinc/01/03/78/386010378.db2.gz GLBNABOLPUSOLD-KXUCPTDWSA-N 1 0 206.293 0.839 10 0 BCAERO C[NH2+][C@H](C)C(=O)N[C@@H]1C[C@@H](C)O[C@@H]1C ZINC000307345533 386012838 /nfs/dbraw/zinc/01/28/38/386012838.db2.gz KTMCSDMFLHWPER-FNCVBFRFSA-N 1 0 200.282 0.276 10 0 BCAERO CC(C)NC(=O)CN1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000113271853 386018691 /nfs/dbraw/zinc/01/86/91/386018691.db2.gz OKPDHPCXQOUCPG-NWDGAFQWSA-N 1 0 239.363 0.680 10 0 BCAERO C[C@](C(=O)[O-])(C1CC1)[N@@H+]1CCC[NH2+]CC1 ZINC000037958984 386105511 /nfs/dbraw/zinc/10/55/11/386105511.db2.gz ORIATNLDVGPORV-LLVKDONJSA-N 1 0 212.293 0.535 10 0 BCAERO Cc1cccc(NC(=O)NC[C@@H]2C[NH2+]C[C@H]2O)c1 ZINC000414666270 386111694 /nfs/dbraw/zinc/11/16/94/386111694.db2.gz GCUKLDSIZQVBDW-CMPLNLGQSA-N 1 0 249.314 0.697 10 0 BCAERO CC(C)(C)C[C@H](CO)N[C@@H]1CC[NH2+]C1 ZINC000393507145 386116495 /nfs/dbraw/zinc/11/64/95/386116495.db2.gz IDFBXVXVFQZEAF-NXEZZACHSA-N 1 0 200.326 0.735 10 0 BCAERO C([NH2+]C1CCOCC1)[C@H]1COCCO1 ZINC000038060831 386117382 /nfs/dbraw/zinc/11/73/82/386117382.db2.gz AFKYQULHKMMEAQ-JTQLQIEISA-N 1 0 201.266 0.170 10 0 BCAERO CS(C)(=O)=NC[C@@H]1CSCC[NH2+]1 ZINC000307178181 386085792 /nfs/dbraw/zinc/08/57/92/386085792.db2.gz YGXJPQVZHWAIGB-SSDOTTSWSA-N 1 0 208.352 0.419 10 0 BCAERO CCC[C@H](NC(=O)[C@H]1CCC[C@@H]([NH3+])C1)C(N)=O ZINC000310199938 386159518 /nfs/dbraw/zinc/15/95/18/386159518.db2.gz GXNOKPQGJQBQQJ-AEJSXWLSSA-N 1 0 241.335 0.274 10 0 BCAERO C[C@@H]1CN(C(=O)[C@H]2C[C@@H]([NH3+])C2)C[C@@H](C)O1 ZINC000647879816 386185300 /nfs/dbraw/zinc/18/53/00/386185300.db2.gz CPQNXZRWVVGVIN-KYXWUPHJSA-N 1 0 212.293 0.360 10 0 BCAERO [NH3+]C[C@H](O)[C@@H]1CCc2cc(F)ccc2O1 ZINC000038258285 386127350 /nfs/dbraw/zinc/12/73/50/386127350.db2.gz XEWOKAJCYBGRTK-ONGXEEELSA-N 1 0 211.236 0.839 10 0 in-vitro BCAERO C[C@]1(C(=O)NC2CSC2)CCC[NH2+]1 ZINC000575578313 386204399 /nfs/dbraw/zinc/20/43/99/386204399.db2.gz HOIQSPDVHXSKAT-SECBINFHSA-N 1 0 200.307 0.360 10 0 BCAERO C[C@H]1CC[NH2+][C@H]1C(=O)NC1CSC1 ZINC000575578270 386211529 /nfs/dbraw/zinc/21/15/29/386211529.db2.gz HKINTZNCOBYRGW-POYBYMJQSA-N 1 0 200.307 0.216 10 0 BCAERO CCCC(=O)NCC(=O)N1CCCC[C@@H]1C[NH3+] ZINC000131084909 386193889 /nfs/dbraw/zinc/19/38/89/386193889.db2.gz KVKZAAJYGUIBTF-SNVBAGLBSA-N 1 0 241.335 0.243 10 0 BCAERO COC[C@@H]([NH3+])C(=O)NCCc1csc(C)n1 ZINC000226417327 386300297 /nfs/dbraw/zinc/30/02/97/386300297.db2.gz VOJSADNCEOMNSX-SECBINFHSA-N 1 0 243.332 0.084 10 0 BCAERO C[C@@H]([NH2+][C@H](CO)c1ccc(Cl)cc1)C(N)=O ZINC000289993096 386265615 /nfs/dbraw/zinc/26/56/15/386265615.db2.gz YNXGGDFAIKWNBN-GMSGAONNSA-N 1 0 242.706 0.837 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)Cc1cc[nH]n1 ZINC000262581162 386369482 /nfs/dbraw/zinc/36/94/82/386369482.db2.gz LZTXMIDSMNVYMQ-WCBMZHEXSA-N 1 0 222.292 0.196 10 0 BCAERO C[C@@H]([NH2+]CCCC(=O)NC(N)=O)[C@@H]1CCCO1 ZINC000183196164 386330142 /nfs/dbraw/zinc/33/01/42/386330142.db2.gz POPZGSRXXQDNPA-BDAKNGLRSA-N 1 0 243.307 0.119 10 0 BCAERO [NH3+]C1(CN2C(=O)c3ccccc3C2=O)COC1 ZINC000575591259 386333573 /nfs/dbraw/zinc/33/35/73/386333573.db2.gz KBAZIRKSAJAONK-UHFFFAOYSA-N 1 0 232.239 0.010 10 0 BCAERO c1ccc2c(c1)OC[C@@H](CN[C@@H]1CC[NH2+]C1)O2 ZINC000094075068 386444321 /nfs/dbraw/zinc/44/43/21/386444321.db2.gz AAGLAWANIZFAHU-GHMZBOCLSA-N 1 0 234.299 0.778 10 0 BCAERO COCC[NH2+]CCNC(=O)N[C@H](C)C(C)C ZINC000416808696 386398998 /nfs/dbraw/zinc/39/89/98/386398998.db2.gz PNDITBVVDMVQDD-SNVBAGLBSA-N 1 0 231.340 0.566 10 0 BCAERO C[C@H]1[NH2+]CCC[C@H]1Nc1ccncc1C#N ZINC000398990194 386431346 /nfs/dbraw/zinc/43/13/46/386431346.db2.gz KRJKGUIVILFRDS-MWLCHTKSSA-N 1 0 216.288 0.928 10 0 BCAERO CN1C(=O)OC2(C[NH2+]C2)[C@H]1c1ccc[nH]1 ZINC000521399955 386434380 /nfs/dbraw/zinc/43/43/80/386434380.db2.gz FPQHGFXKUFEVJP-MRVPVSSYSA-N 1 0 207.233 0.480 10 0 BCAERO CCO[C@@H]1C[C@@H]1C(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000262608753 386471032 /nfs/dbraw/zinc/47/10/32/386471032.db2.gz COVFSTCPYREDNU-XWLWVQCSSA-N 1 0 226.320 0.655 10 0 BCAERO Cc1ccncc1C(=O)N1CC[C@@H]([NH3+])[C@@H]1C ZINC000335432895 386490807 /nfs/dbraw/zinc/49/08/07/386490807.db2.gz FGOJAECXCMAZLW-GXSJLCMTSA-N 1 0 219.288 0.952 10 0 BCAERO COC[C@@H](C[NH2+]Cc1cnn(C)c1C)OC ZINC000227707111 386504650 /nfs/dbraw/zinc/50/46/50/386504650.db2.gz ISKVXQQAXNRUPP-LLVKDONJSA-N 1 0 227.308 0.480 10 0 BCAERO Nc1cccc(C[N@@H+]2C[C@H](O)C[C@@H]2CO)c1 ZINC000647971723 386510131 /nfs/dbraw/zinc/51/01/31/386510131.db2.gz URUJBYNWKZXKLR-VXGBXAGGSA-N 1 0 222.288 0.196 10 0 BCAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1CC(N)=O ZINC000245442473 386592196 /nfs/dbraw/zinc/59/21/96/386592196.db2.gz WJPXITRSNTWBFP-UWVGGRQHSA-N 1 0 211.309 0.030 10 0 BCAERO C[C@@H]([NH3+])CCNS(=O)(=O)c1ccc(F)cc1 ZINC000063171195 386540709 /nfs/dbraw/zinc/54/07/09/386540709.db2.gz KCWMZOJKRUQUKQ-MRVPVSSYSA-N 1 0 246.307 0.841 10 0 BCAERO Cc1nc(C)c(CN2CCO[C@@H](CO)C2)s1 ZINC000267435116 386542945 /nfs/dbraw/zinc/54/29/45/386542945.db2.gz ZZWBCOSDOABDKT-SNVBAGLBSA-N 1 0 242.344 0.953 10 0 BCAERO CC(C)[C@@H]([NH3+])C(=O)N1CCS[C@@H](C)C1 ZINC000123335848 386545159 /nfs/dbraw/zinc/54/51/59/386545159.db2.gz ZZSQIJMAZJHQAN-DTWKUNHWSA-N 1 0 216.350 0.934 10 0 BCAERO CC(C)[C@H](C(=O)NC[C@@H]1CCC[C@H]1O)[C@@H](C)[NH3+] ZINC000399416129 386560875 /nfs/dbraw/zinc/56/08/75/386560875.db2.gz CPLAKXXNHJNHEK-KXNHARMFSA-N 1 0 242.363 0.883 10 0 BCAERO COC(=O)CCN(C)[C@@H](C[NH3+])C1CC1 ZINC000124419173 386629794 /nfs/dbraw/zinc/62/97/94/386629794.db2.gz MQWPSGLLTWJDTO-VIFPVBQESA-N 1 0 200.282 0.219 10 0 BCAERO CCC[C@@H](C(=O)N[C@@H]1CCOC1)[NH+](C)C ZINC000179265189 386631708 /nfs/dbraw/zinc/63/17/08/386631708.db2.gz WPGSCXAWIIYQHZ-ZJUUUORDSA-N 1 0 214.309 0.622 10 0 BCAERO CCOCC[NH2+][C@H]1CCC(=O)N[C@@H]1C ZINC000336646474 386633580 /nfs/dbraw/zinc/63/35/80/386633580.db2.gz CZXFJVUJYJJQEQ-BDAKNGLRSA-N 1 0 200.282 0.280 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)NCc1ccc[nH]c1=O ZINC000638724766 386635021 /nfs/dbraw/zinc/63/50/21/386635021.db2.gz AZHAFIACJTZYFW-ONGXEEELSA-N 1 0 249.314 0.778 10 0 BCAERO O=C(C1CC=CC1)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000335512266 386646790 /nfs/dbraw/zinc/64/67/90/386646790.db2.gz QWKRHKCYSNGVPX-WDEREUQCSA-N 1 0 222.288 0.152 10 0 BCAERO OCC[N@@H+]1CC[C@@H](c2cccc(CO)c2)C1 ZINC000616614797 386664114 /nfs/dbraw/zinc/66/41/14/386664114.db2.gz VJIXISNJBPYPFP-CYBMUJFWSA-N 1 0 221.300 0.961 10 0 BCAERO [NH3+][C@H]1C[C@@H](C(=O)NC[C@@H]2CCCC[C@@H]2O)C1 ZINC000648087730 386677162 /nfs/dbraw/zinc/67/71/62/386677162.db2.gz CCCWCBDDTIXUTB-MMWGEVLESA-N 1 0 226.320 0.391 10 0 BCAERO C[NH2+][C@@H]1CCN([C@H]2CCS[C@@H]2C)C1=O ZINC000307525433 386702559 /nfs/dbraw/zinc/70/25/59/386702559.db2.gz FYLWWJDEFVWXOF-HLTSFMKQSA-N 1 0 214.334 0.701 10 0 BCAERO C[NH2+][C@@H]1CCN([C@H]2CCS[C@H]2C)C1=O ZINC000307525435 386703210 /nfs/dbraw/zinc/70/32/10/386703210.db2.gz FYLWWJDEFVWXOF-YIZRAAEISA-N 1 0 214.334 0.701 10 0 BCAERO O=C(NCC[C@@H]1CCCO1)[C@H]1C[C@H](F)C[NH2+]1 ZINC000645333365 386737055 /nfs/dbraw/zinc/73/70/55/386737055.db2.gz BJUJVJMEGGQRLF-LPEHRKFASA-N 1 0 230.283 0.372 10 0 BCAERO C[C@H]1[N@H+](Cc2ccccc2)CC[C@@]12C[NH+]=C(N)N2 ZINC000307582474 386737242 /nfs/dbraw/zinc/73/72/42/386737242.db2.gz VEAQIRNLMVPVIR-BXUZGUMPSA-N 1 0 244.342 0.938 10 0 BCAERO C=CN1C(=[NH2+])S[C@H]2CS(=O)(=O)C[C@H]21 ZINC000004226901 386750283 /nfs/dbraw/zinc/75/02/83/386750283.db2.gz RCLIZULLOCCJRH-RITPCOANSA-N 1 0 218.303 0.279 10 0 BCAERO C[C@@H]1COCC[C@@H]1[NH2+]C[C@@H]1CN(C)CCO1 ZINC000192131532 386744042 /nfs/dbraw/zinc/74/40/42/386744042.db2.gz CSXKIVLKHKCLIJ-UTUOFQBUSA-N 1 0 228.336 0.332 10 0 BCAERO CC[NH2+][C@H](C)C(=O)NC[C@@H]1CCC[C@@H]1O ZINC000637963441 386791370 /nfs/dbraw/zinc/79/13/70/386791370.db2.gz CFAIDFGWISCPAP-UTLUCORTSA-N 1 0 214.309 0.262 10 0 BCAERO O[C@@H](C1=CCCO1)[C@H]1CSCC[NH2+]1 ZINC000575451310 386802753 /nfs/dbraw/zinc/80/27/53/386802753.db2.gz XBKLIGFAAHDEEQ-VXNVDRBHSA-N 1 0 201.291 0.357 10 0 BCAERO O[C@@H](C1=CCCO1)[C@@H]1CSCC[NH2+]1 ZINC000575451309 386803060 /nfs/dbraw/zinc/80/30/60/386803060.db2.gz XBKLIGFAAHDEEQ-IONNQARKSA-N 1 0 201.291 0.357 10 0 BCAERO O[C@@H](c1cscn1)[C@@H]1C[NH2+]CCO1 ZINC000575453265 386809718 /nfs/dbraw/zinc/80/97/18/386809718.db2.gz DPMPNXBDCYCWQQ-YUMQZZPRSA-N 1 0 200.263 0.165 10 0 BCAERO O[C@H](C1=CCCO1)[C@@H]1C[NH2+]CCS1 ZINC000575453434 386811852 /nfs/dbraw/zinc/81/18/52/386811852.db2.gz GRUVPQGSIJBZFP-DTWKUNHWSA-N 1 0 201.291 0.357 10 0 BCAERO [NH3+][C@@H]1CC=C(C(=O)N[C@H]2CCCOC2)C1 ZINC000637981026 386834166 /nfs/dbraw/zinc/83/41/66/386834166.db2.gz CIEHINRJNFEPDR-ZJUUUORDSA-N 1 0 210.277 0.329 10 0 BCAERO Cc1nnc(N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)s1 ZINC000301623758 386861845 /nfs/dbraw/zinc/86/18/45/386861845.db2.gz AAFFUIDPFDCBIQ-DTWKUNHWSA-N 1 0 240.332 0.366 10 0 BCAERO COC(=O)[C@H]1CC[N@H+](CC2(O)CCC2)C1 ZINC000341379136 386897788 /nfs/dbraw/zinc/89/77/88/386897788.db2.gz OWNCYIMUFKHJCB-VIFPVBQESA-N 1 0 213.277 0.396 10 0 BCAERO COC(=O)CCCN1CCO[C@H](C[NH+](C)C)C1 ZINC000116399438 386943967 /nfs/dbraw/zinc/94/39/67/386943967.db2.gz KVZQBPOPRLKCTL-LLVKDONJSA-N 1 0 244.335 0.202 10 0 BCAERO CCN(C)C(=O)C[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000398706181 386960049 /nfs/dbraw/zinc/96/00/49/386960049.db2.gz NJAFYONJWBBPEE-SDDRHHMPSA-N 1 0 240.347 0.558 10 0 BCAERO O=C1NC[C@H](C[N@H+]2C[C@@H]3CC[C@H](O)C[C@@H]3C2)O1 ZINC000398724571 386968773 /nfs/dbraw/zinc/96/87/73/386968773.db2.gz TVNADUMAWVIBMX-ZRUFSTJUSA-N 1 0 240.303 0.188 10 0 BCAERO CCNC(=O)C[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000398733965 386976072 /nfs/dbraw/zinc/97/60/72/386976072.db2.gz MEBQDUHGSDGSCM-GARJFASQSA-N 1 0 226.320 0.215 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N[C@H](C)c1ncc(C)s1 ZINC000126141594 386977848 /nfs/dbraw/zinc/97/78/48/386977848.db2.gz MEDKIHUZOUUYHO-HTQZYQBOSA-N 1 0 243.332 0.602 10 0 BCAERO CCO[C@H](C)C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000116797443 386978002 /nfs/dbraw/zinc/97/80/02/386978002.db2.gz HICSDCSNTVZECN-GHMZBOCLSA-N 1 0 244.335 0.200 10 0 BCAERO Cn1cc(C[N@@H+]2C[C@@H]3CC[C@@H](O)C[C@H]3C2)nn1 ZINC000398770980 386988511 /nfs/dbraw/zinc/98/85/11/386988511.db2.gz HBDUPXXYTBCTML-JBLDHEPKSA-N 1 0 236.319 0.408 10 0 BCAERO COC[C@@H]1CCCN1C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000648100298 387001119 /nfs/dbraw/zinc/00/11/19/387001119.db2.gz OAHMEDACIIOTLL-GRYCIOLGSA-N 1 0 240.347 0.999 10 0 BCAERO [NH3+][C@H](CNc1nnnn1-c1ccccc1)C1CC1 ZINC000104318367 387003332 /nfs/dbraw/zinc/00/33/32/387003332.db2.gz YRCSSPNPFPXIMB-LLVKDONJSA-N 1 0 244.302 0.812 10 0 BCAERO C[C@H]1C[C@](N)(C(N)=O)C[N@@H+]1Cc1ccccc1 ZINC000307641608 387008857 /nfs/dbraw/zinc/00/88/57/387008857.db2.gz IQPXPIUIBQTJLA-GXFFZTMASA-N 1 0 233.315 0.464 10 0 BCAERO CC(C)(C)[C@H](O)CNC(=O)[C@H]([NH3+])C1CCC1 ZINC000398980961 387032285 /nfs/dbraw/zinc/03/22/85/387032285.db2.gz GAHGRCQRNLIRMS-NXEZZACHSA-N 1 0 228.336 0.637 10 0 BCAERO O[C@@H](c1ccsn1)[C@@H]1C[NH2+]CCO1 ZINC000575462398 387036057 /nfs/dbraw/zinc/03/60/57/387036057.db2.gz TWLFNHWYPZUEFW-YUMQZZPRSA-N 1 0 200.263 0.165 10 0 BCAERO O=S1(=O)CCC[C@@H]1C[C@@H]1C=CC[NH2+]1 ZINC000575460381 387037605 /nfs/dbraw/zinc/03/76/05/387037605.db2.gz JPAFXRMFRJEHMK-DTWKUNHWSA-N 1 0 201.291 0.482 10 0 BCAERO Cn1nc(Br)cc1[C@H](O)C[NH3+] ZINC000575460419 387037742 /nfs/dbraw/zinc/03/77/42/387037742.db2.gz NXELHHRZUFVCEC-RXMQYKEDSA-N 1 0 220.070 0.175 10 0 BCAERO CCCCOCC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000118330129 387052622 /nfs/dbraw/zinc/05/26/22/387052622.db2.gz XDDZFPTYQBDUAU-LLVKDONJSA-N 1 0 228.336 0.966 10 0 BCAERO C[C@H](O)CC[N@@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000398886835 387011817 /nfs/dbraw/zinc/01/18/17/387011817.db2.gz YLBSDPZRNOJETK-BJDJZHNGSA-N 1 0 213.321 0.850 10 0 BCAERO O[C@H](c1cncs1)[C@@H]1C[NH2+]CCO1 ZINC000575456764 387028951 /nfs/dbraw/zinc/02/89/51/387028951.db2.gz OKOSKJDKVSSMJW-XPUUQOCRSA-N 1 0 200.263 0.165 10 0 BCAERO CCOc1cncc(N(C)[C@H]2CC[NH2+]C2)n1 ZINC000070580153 387070226 /nfs/dbraw/zinc/07/02/26/387070226.db2.gz KXEIAJWOYQHLMQ-VIFPVBQESA-N 1 0 222.292 0.673 10 0 BCAERO Cn1cc(NC(=O)[C@H]2CCC[C@@H]([NH3+])C2)ccc1=O ZINC000070575828 387070675 /nfs/dbraw/zinc/07/06/75/387070675.db2.gz IKUZTUIAYYOTFK-VHSXEESVSA-N 1 0 249.314 0.841 10 0 BCAERO CC[C@@](C)(O)C[NH+]1CCC(C)(O)CC1 ZINC000186191199 387073783 /nfs/dbraw/zinc/07/37/83/387073783.db2.gz FPKRAIPJWMHHSK-SNVBAGLBSA-N 1 0 201.310 0.994 10 0 BCAERO [NH3+][C@]1(c2ccsc2)CCS(=O)(=O)C1 ZINC000575470281 387111751 /nfs/dbraw/zinc/11/17/51/387111751.db2.gz WYBXOOPSNGGKCZ-MRVPVSSYSA-N 1 0 217.315 0.721 10 0 BCAERO C[C@H]([NH3+])[C@@H]1CCN(c2ccnc(N(C)C)n2)C1 ZINC000127367147 387116025 /nfs/dbraw/zinc/11/60/25/387116025.db2.gz QHNDENSOYXTABU-VHSXEESVSA-N 1 0 235.335 0.716 10 0 BCAERO [NH3+][C@@H]1CCC[C@H](C(=O)NCc2cc[nH]n2)C1 ZINC000070502923 387120529 /nfs/dbraw/zinc/12/05/29/387120529.db2.gz PODYEXMJDCNFBD-DTWKUNHWSA-N 1 0 222.292 0.543 10 0 BCAERO [NH3+]C1CC(S(=O)(=O)c2ccccc2)C1 ZINC000238582002 387157146 /nfs/dbraw/zinc/15/71/46/387157146.db2.gz ITUCTMFVVYNFHJ-UHFFFAOYSA-N 1 0 211.286 0.950 10 0 BCAERO CNC(=S)N[C@@H]1C[N@H+](C)C(C)(C)C1 ZINC000575478412 387162111 /nfs/dbraw/zinc/16/21/11/387162111.db2.gz DKPDSIASPUJEIJ-ZETCQYMHSA-N 1 0 201.339 0.563 10 0 BCAERO Cn1ccc([C@@H](C[NH3+])C2(CO)CCC2)n1 ZINC000536955494 387167386 /nfs/dbraw/zinc/16/73/86/387167386.db2.gz ZUIREUUUVDJBOX-SECBINFHSA-N 1 0 209.293 0.625 10 0 BCAERO CC[C@](C)(O)C[N@@H+]1CCCN(C)CC1 ZINC000229382450 387168012 /nfs/dbraw/zinc/16/80/12/387168012.db2.gz CHPXNZUIJOOOCN-NSHDSACASA-N 1 0 200.326 0.785 10 0 BCAERO COC(=O)[C@@H]1CC[C@H](C[NH3+])N1c1ccn(C)c1 ZINC000536955767 387169651 /nfs/dbraw/zinc/16/96/51/387169651.db2.gz STWYPOYFOIOCAV-KOLCDFICSA-N 1 0 237.303 0.494 10 0 BCAERO COc1cccc2c1C(=O)N(C)[C@@H]2C[NH3+] ZINC000536956156 387169684 /nfs/dbraw/zinc/16/96/84/387169684.db2.gz VZBVGIXURGIZLX-MRVPVSSYSA-N 1 0 206.245 0.781 10 0 BCAERO CCCCOC[C@H](O)C[N@H+](C)[C@@H](C)CO ZINC000193252195 387185875 /nfs/dbraw/zinc/18/58/75/387185875.db2.gz XNHAYDDNQRIBAA-WDEREUQCSA-N 1 0 219.325 0.477 10 0 BCAERO CC(C)(C)[N@@H+]1CC[C@H](NC(N)=S)C1 ZINC000575482971 387186544 /nfs/dbraw/zinc/18/65/44/387186544.db2.gz ZFHXGUAIJRHDTO-ZETCQYMHSA-N 1 0 201.339 0.692 10 0 BCAERO C[NH+](C)[C@@H]1CCN(C(=O)Cc2ccccc2N)C1 ZINC000062964137 387186636 /nfs/dbraw/zinc/18/66/36/387186636.db2.gz RANXYCDVZRAWHH-GFCCVEGCSA-N 1 0 247.342 0.974 10 0 BCAERO CC(F)(F)COc1ncncc1C[NH3+] ZINC000575440646 387135142 /nfs/dbraw/zinc/13/51/42/387135142.db2.gz BAXXHIMGOVSBPP-UHFFFAOYSA-N 1 0 203.192 0.969 10 0 BCAERO Cc1cc([C@H]([NH3+])CC(N)=O)cc(Cl)n1 ZINC000306510279 387226810 /nfs/dbraw/zinc/22/68/10/387226810.db2.gz CWLGEVYICJTWOZ-SSDOTTSWSA-N 1 0 213.668 0.919 10 0 BCAERO CS(=O)(=O)CCC[N@@H+]1CCC[C@H]1CCCO ZINC000063018016 387229416 /nfs/dbraw/zinc/22/94/16/387229416.db2.gz SPJXLIYLLYKCFP-NSHDSACASA-N 1 0 249.376 0.658 10 0 BCAERO COCCOCC(=O)N1C[C@@H](C)[C@@H]([NH+](C)C)C1 ZINC000229729627 387194438 /nfs/dbraw/zinc/19/44/38/387194438.db2.gz UKFAFQCXQSYVRN-MNOVXSKESA-N 1 0 244.335 0.058 10 0 BCAERO CCCOCC(=O)N1C[C@H]([NH+](C)C)[C@@H](C)C1 ZINC000229729858 387194938 /nfs/dbraw/zinc/19/49/38/387194938.db2.gz PIJRLXPMHKJIHY-QWRGUYRKSA-N 1 0 228.336 0.822 10 0 BCAERO Cc1cnn(C)c1C[NH2+][C@@H]1CCC(=O)N[C@@H]1C ZINC000286160544 387316105 /nfs/dbraw/zinc/31/61/05/387316105.db2.gz WHEQHGBILIMYPE-NXEZZACHSA-N 1 0 236.319 0.485 10 0 BCAERO CC(C)(C)OC(=O)N[C@@H]1[C@H]([NH3+])[C@H]2CCO[C@H]21 ZINC000575488430 387259887 /nfs/dbraw/zinc/25/98/87/387259887.db2.gz ZVGRCWXQTQQIAV-FNCVBFRFSA-N 1 0 228.292 0.626 10 0 BCAERO CC(C)([NH3+])CC(=O)Nc1csnn1 ZINC000575492770 387269095 /nfs/dbraw/zinc/26/90/95/387269095.db2.gz LBUIWDAMZFDZEK-UHFFFAOYSA-N 1 0 200.267 0.604 10 0 BCAERO C[C@@H]([NH3+])[C@H](C)C(=O)Nc1csnn1 ZINC000575492766 387270112 /nfs/dbraw/zinc/27/01/12/387270112.db2.gz LBNPWMKHBOZNHN-CRCLSJGQSA-N 1 0 200.267 0.460 10 0 BCAERO COc1ncccc1C[NH2+][C@@H]1CCC(=O)N[C@H]1C ZINC000392984403 387306084 /nfs/dbraw/zinc/30/60/84/387306084.db2.gz UBEDZHNQQHFORD-GXSJLCMTSA-N 1 0 249.314 0.847 10 0 BCAERO CCCCNC(=O)C[NH2+][C@H]1CCC(=O)N[C@H]1C ZINC000393028635 387308872 /nfs/dbraw/zinc/30/88/72/387308872.db2.gz VITBWBGJMZVOMZ-UWVGGRQHSA-N 1 0 241.335 0.159 10 0 BCAERO [NH3+][C@]1([C@H](O)c2ccns2)CCOC1 ZINC000575504050 387360696 /nfs/dbraw/zinc/36/06/96/387360696.db2.gz CDILHPVOEBMISG-HTQZYQBOSA-N 1 0 200.263 0.294 10 0 BCAERO [NH3+][C@@]1([C@H](O)c2cncs2)CCOC1 ZINC000575505669 387372465 /nfs/dbraw/zinc/37/24/65/387372465.db2.gz QNGZPPMGPANEMM-SFYZADRCSA-N 1 0 200.263 0.294 10 0 BCAERO [NH3+][C@@H]1CN([C@@H]2CCCSCC2)C1=O ZINC000575517699 387430876 /nfs/dbraw/zinc/43/08/76/387430876.db2.gz HRAOLGVPBONXBC-HTQZYQBOSA-N 1 0 200.307 0.442 10 0 BCAERO CCn1c(C)nnc1CN1CC[C@H]([NH3+])C[C@@H]1C ZINC000515863093 387431351 /nfs/dbraw/zinc/43/13/51/387431351.db2.gz GSUJMYHRDMTQJY-ONGXEEELSA-N 1 0 237.351 0.918 10 0 BCAERO O=[S@]1CC[NH2+][C@H]2CCC(F)(F)C[C@@H]21 ZINC000575520848 387450785 /nfs/dbraw/zinc/45/07/85/387450785.db2.gz SYHXNGIPGSUXDL-MREMCGJQSA-N 1 0 209.261 0.895 10 0 BCAERO C[C@@H]([NH3+])C(=O)Nc1cnn(C)c1Br ZINC000575523192 387455155 /nfs/dbraw/zinc/45/51/55/387455155.db2.gz ODLFVIXSMOSDLY-SCSAIBSYSA-N 1 0 247.096 0.468 10 0 BCAERO CC1CN(C(=O)[C@H]2C[NH2+]CCS2)C1 ZINC000575523365 387455454 /nfs/dbraw/zinc/45/54/54/387455454.db2.gz QLXJULXNZAJAPH-MRVPVSSYSA-N 1 0 200.307 0.170 10 0 BCAERO CC1(S(=O)(=O)N2CCC[C@@H]2[NH3+])CC1 ZINC000575513591 387388271 /nfs/dbraw/zinc/38/82/71/387388271.db2.gz CWSAMGHASVEUSH-SSDOTTSWSA-N 1 0 204.295 0.249 10 0 BCAERO CC(C)OCCC(=O)N1CC[C@@H]([NH3+])[C@@H]1C ZINC000423667144 387393978 /nfs/dbraw/zinc/39/39/78/387393978.db2.gz KKIVTMDHYMTAGW-VHSXEESVSA-N 1 0 214.309 0.750 10 0 BCAERO COCC1(NC(=O)[C@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000643504126 387416346 /nfs/dbraw/zinc/41/63/46/387416346.db2.gz DXBUXZIJMJCESM-ZJUUUORDSA-N 1 0 226.320 0.670 10 0 BCAERO O=S1(=O)CCC(C2(F)C[NH2+]C2)CC1 ZINC000575517575 387419541 /nfs/dbraw/zinc/41/95/41/387419541.db2.gz KXNUBSFMVAKASW-UHFFFAOYSA-N 1 0 207.270 0.123 10 0 BCAERO CO[C@H]1C[NH2+][C@@H](C(=O)N(C)CC(C)C)C1 ZINC000040631574 387499350 /nfs/dbraw/zinc/49/93/50/387499350.db2.gz PJQFDCBAKBMKRB-NXEZZACHSA-N 1 0 214.309 0.478 10 0 BCAERO Cc1cc(CNC(=O)[C@]2(C)CCCC[NH2+]2)[nH]n1 ZINC000648079830 387511190 /nfs/dbraw/zinc/51/11/90/387511190.db2.gz WFAYBBYPRFEZET-LBPRGKRZSA-N 1 0 236.319 0.867 10 0 BCAERO CC(=O)CC[N@@H+]1CCCN(c2cccnn2)CC1 ZINC000106071606 387527397 /nfs/dbraw/zinc/52/73/97/387527397.db2.gz ZTIDCRANKYVHST-UHFFFAOYSA-N 1 0 248.330 0.968 10 0 BCAERO CO[C@H]1CCN(C(=O)[C@H]2CCC[C@H]2C[NH3+])C1 ZINC000648085304 387536621 /nfs/dbraw/zinc/53/66/21/387536621.db2.gz NEHAQAJGWAABQX-DCAQKATOSA-N 1 0 226.320 0.609 10 0 BCAERO COC[C@H]([NH2+]C[C@@H](C)N1CCOCC1)C1CC1 ZINC000123570055 387586394 /nfs/dbraw/zinc/58/63/94/387586394.db2.gz PBQWNJAZEKOASC-YPMHNXCESA-N 1 0 242.363 0.722 10 0 BCAERO CC(C)[C@@H]1OCC[C@H]1CNC(=O)C[NH+](C)C ZINC000362359939 387601595 /nfs/dbraw/zinc/60/15/95/387601595.db2.gz QVMDEELBARNVRF-JQWIXIFHSA-N 1 0 228.336 0.725 10 0 BCAERO CO[C@@H]1C[C@@H](CO)[N@H+](Cc2ccnc(C)c2)C1 ZINC000527537748 387606181 /nfs/dbraw/zinc/60/61/81/387606181.db2.gz BHNLHGPYQUUWQN-QWHCGFSZSA-N 1 0 236.315 0.972 10 0 BCAERO C[C@@H]1CC[C@]2(CS1)OC[C@H](C[NH3+])O2 ZINC000575533700 387554837 /nfs/dbraw/zinc/55/48/37/387554837.db2.gz DYKBIMPBWQNXPN-VGMNWLOBSA-N 1 0 203.307 0.972 10 0 BCAERO CC[C@@H](C)[N@H+](C)C[C@H](O)CN1CCCC1=O ZINC000305197896 387576372 /nfs/dbraw/zinc/57/63/72/387576372.db2.gz DYTLDUVIZMLJBK-MNOVXSKESA-N 1 0 228.336 0.700 10 0 BCAERO C[NH+](C)C[C@@H]1CN(C(=O)C2(C)CC2)CCO1 ZINC000124957051 387639017 /nfs/dbraw/zinc/63/90/17/387639017.db2.gz YHMYTEKKDICCNJ-SNVBAGLBSA-N 1 0 226.320 0.576 10 0 BCAERO C[C@@H]1C[C@@]1(C[NH3+])[C@H]1CCS(=O)(=O)C1 ZINC000575550333 387643396 /nfs/dbraw/zinc/64/33/96/387643396.db2.gz SMGZTXFBKCCVNZ-VGMNWLOBSA-N 1 0 203.307 0.406 10 0 BCAERO C[S@@](=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000575563526 387703938 /nfs/dbraw/zinc/70/39/38/387703938.db2.gz OORSUPJOWUJFEL-VYUIOLGVSA-N 1 0 202.323 0.211 10 0 BCAERO COC[C@H](O)C[N@H+]1[C@H](C)COC[C@@H]1C ZINC000127045378 387704277 /nfs/dbraw/zinc/70/42/77/387704277.db2.gz HCMCQSVZYLTOKE-KXUCPTDWSA-N 1 0 203.282 0.103 10 0 BCAERO [NH3+][C@H](c1cscn1)[C@H]1COCCO1 ZINC000306304675 387728903 /nfs/dbraw/zinc/72/89/03/387728903.db2.gz IIRWMPFCENKXMR-HTQZYQBOSA-N 1 0 200.263 0.558 10 0 BCAERO COc1nc([C@]2([NH3+])CCOC2)cs1 ZINC000575566874 387733496 /nfs/dbraw/zinc/73/34/96/387733496.db2.gz HBJRXNZUJKKKKE-QMMMGPOBSA-N 1 0 200.263 0.726 10 0 BCAERO C[C@H]([NH3+])[C@@H]1CN(c2ncccc2F)CCO1 ZINC000169206316 387794010 /nfs/dbraw/zinc/79/40/10/387794010.db2.gz LWDSRKFYTZPKBM-WPRPVWTQSA-N 1 0 225.267 0.773 10 0 BCAERO CCC[C@H]([NH3+])C(=O)NCC[C@@H](O)CC ZINC000157446020 387795678 /nfs/dbraw/zinc/79/56/78/387795678.db2.gz YZHBHPUDTLBZCN-IUCAKERBSA-N 1 0 202.298 0.391 10 0 BCAERO COC[C@H](C)C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000193623534 387797647 /nfs/dbraw/zinc/79/76/47/387797647.db2.gz RGHKJKBCQGRHDE-IVZWLZJFSA-N 1 0 214.309 0.526 10 0 BCAERO CNC(=O)c1cccc(NC(=O)[C@@H]2CC[NH2+]C2)c1 ZINC000062116234 387849969 /nfs/dbraw/zinc/84/99/69/387849969.db2.gz HRNKHGXVXZIDMC-SNVBAGLBSA-N 1 0 247.298 0.594 10 0 BCAERO CC[NH+](CC)CCCSC[C@H](O)CO ZINC000194551008 387893869 /nfs/dbraw/zinc/89/38/69/387893869.db2.gz IRTAEJHWBOVPML-SNVBAGLBSA-N 1 0 221.366 0.805 10 0 BCAERO C[NH2+]CCCC(=O)N1CCS[C@@H](C)C1 ZINC000158093972 387894297 /nfs/dbraw/zinc/89/42/97/387894297.db2.gz LSIGWZYNODYBHG-VIFPVBQESA-N 1 0 216.350 0.950 10 0 BCAERO COc1cccnc1N1CCCO[C@@H](C[NH3+])C1 ZINC000313355991 387886318 /nfs/dbraw/zinc/88/63/18/387886318.db2.gz OGZXTGUNAAYHMV-JTQLQIEISA-N 1 0 237.303 0.644 10 0 BCAERO CCC[C@@H](C)C(=O)NC[C@H]1CN(C)CCO1 ZINC000194631053 387887083 /nfs/dbraw/zinc/88/70/83/387887083.db2.gz CXJHMEGRHUWQJY-MNOVXSKESA-N 1 0 228.336 0.869 10 0 BCAERO CN1CCO[C@H](CNC(=O)c2ccsc2)C1 ZINC000194629410 387888816 /nfs/dbraw/zinc/88/88/16/387888816.db2.gz SLDMFIGRHSXMSO-SNVBAGLBSA-N 1 0 240.328 0.809 10 0 BCAERO C[C@H]([NH3+])c1cn(Cc2cnns2)nn1 ZINC000306365500 387914911 /nfs/dbraw/zinc/91/49/11/387914911.db2.gz CKBIRAZPRASGDQ-YFKPBYRVSA-N 1 0 210.266 0.198 10 0 BCAERO [NH3+][C@H]1CC[C@H](NC(=O)[C@H]2CCOC2)CC1 ZINC000238694521 387930254 /nfs/dbraw/zinc/93/02/54/387930254.db2.gz KZNAICVCHBVHLG-LPEHRKFASA-N 1 0 212.293 0.409 10 0 BCAERO C[C@@H]([NH2+]C[C@@H]1CN(C)CCO1)[C@H]1C[C@H]1C ZINC000321044801 387936149 /nfs/dbraw/zinc/93/61/49/387936149.db2.gz FVEHEPRYPARTAS-KKOKHZNYSA-N 1 0 212.337 0.951 10 0 BCAERO CC[NH+](CC)CC(=O)N1C[C@@H](F)C[C@H]1CO ZINC000347370014 387952790 /nfs/dbraw/zinc/95/27/90/387952790.db2.gz FQDHRPHBKGNFIQ-UWVGGRQHSA-N 1 0 232.299 0.260 10 0 BCAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1CCOCCO ZINC000246182340 388016619 /nfs/dbraw/zinc/01/66/19/388016619.db2.gz KQDTZZWGBWGLBS-RYUDHWBXSA-N 1 0 228.336 0.164 10 0 BCAERO CCNC(=O)CN1C[C@@H]2CCC[N@@H+]2C[C@@H]1CC ZINC000246215344 388020909 /nfs/dbraw/zinc/02/09/09/388020909.db2.gz CVKXFNZQACDRRM-RYUDHWBXSA-N 1 0 239.363 0.681 10 0 BCAERO C[C@H](O)C1CCN(C(=O)[C@H]2CCC[NH2+]C2)CC1 ZINC000082280868 388022507 /nfs/dbraw/zinc/02/25/07/388022507.db2.gz UTAGHZVGYZXYQL-JQWIXIFHSA-N 1 0 240.347 0.605 10 0 BCAERO [NH3+][C@H](CNc1ncnc2nc[nH]c21)C1CC1 ZINC000082594003 388036994 /nfs/dbraw/zinc/03/69/94/388036994.db2.gz ZPPFAIUSKRTHOT-SSDOTTSWSA-N 1 0 218.264 0.502 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@@H]1CCCCO1 ZINC000082559902 388037629 /nfs/dbraw/zinc/03/76/29/388037629.db2.gz PFXZYQFKKFBUQU-OUAUKWLOSA-N 1 0 226.320 0.527 10 0 BCAERO CC(C)[C@@H]([NH3+])CNc1ccnc(N(C)C)n1 ZINC000082924396 388042880 /nfs/dbraw/zinc/04/28/80/388042880.db2.gz IIIGOWMHWJIONL-VIFPVBQESA-N 1 0 223.324 0.938 10 0 BCAERO [NH3+][C@H]1CC[C@H](C(=O)N2CCSCC2)C1 ZINC000085009603 388082975 /nfs/dbraw/zinc/08/29/75/388082975.db2.gz XKPPECRRLCYGKD-IUCAKERBSA-N 1 0 214.334 0.689 10 0 BCAERO COc1cc(N2CCCC[C@@H]2C[NH3+])ncn1 ZINC000085481273 388089880 /nfs/dbraw/zinc/08/98/80/388089880.db2.gz GMSSXLMAWIBNBG-SECBINFHSA-N 1 0 222.292 0.803 10 0 BCAERO CC(C)[C@@H](CO)[NH2+]C[C@H](O)COC(C)(C)C ZINC000086124657 388099913 /nfs/dbraw/zinc/09/99/13/388099913.db2.gz MKXBNBRYFZIPMH-WDEREUQCSA-N 1 0 233.352 0.769 10 0 BCAERO CSCC(=O)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261528031 135152595 /nfs/dbraw/zinc/15/25/95/135152595.db2.gz IXIAWIMTHBTGGE-QMMMGPOBSA-N 1 0 216.350 0.935 10 0 BCAERO C[C@@H]1CN(c2ccnc(C(N)=O)c2)[C@@H](C)C[NH2+]1 ZINC000086471449 388103640 /nfs/dbraw/zinc/10/36/40/388103640.db2.gz NKBLLMZGWZVBQD-BDAKNGLRSA-N 1 0 234.303 0.367 10 0 BCAERO C[NH2+][C@@H](C)CNC(=O)c1scnc1C ZINC000261528254 135153596 /nfs/dbraw/zinc/15/35/96/135153596.db2.gz KUVIGYKJFVULSO-LURJTMIESA-N 1 0 213.306 0.789 10 0 BCAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)[C@H]1CCCS1 ZINC000261528430 135153638 /nfs/dbraw/zinc/15/36/38/135153638.db2.gz LPWQNLMENIBKSB-HRDYMLBCSA-N 1 0 214.334 0.830 10 0 BCAERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)N(C)Cc1cnccn1 ZINC000646030565 388129346 /nfs/dbraw/zinc/12/93/46/388129346.db2.gz RQWYTVKJQPIDCY-CMPLNLGQSA-N 1 0 248.330 0.823 10 0 BCAERO CO[C@@H](C)CCC(=O)N1CCC[C@H]([NH3+])C1 ZINC000166698906 388254832 /nfs/dbraw/zinc/25/48/32/388254832.db2.gz UHZWBBUXIULVIH-UWVGGRQHSA-N 1 0 214.309 0.751 10 0 BCAERO CCN(CC[NH3+])c1nc(C)cc(OC)n1 ZINC000166487029 388255254 /nfs/dbraw/zinc/25/52/54/388255254.db2.gz PWRAOBKDHJGFHI-UHFFFAOYSA-N 1 0 210.281 0.579 10 0 BCAERO NC(=S)[C@@H]1CCC[N@@H+]1[C@H]1CCOC1=O ZINC000251214643 388259530 /nfs/dbraw/zinc/25/95/30/388259530.db2.gz LREDXNHMKASDCD-BQBZGAKWSA-N 1 0 214.290 0.052 10 0 BCAERO COCCC(=O)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261531754 135160616 /nfs/dbraw/zinc/16/06/16/135160616.db2.gz HTKTUZHFDFPPMN-SECBINFHSA-N 1 0 214.309 0.609 10 0 BCAERO C[C@@H]1CN(C(=O)[C@H]2[C@@H](C)[C@@H](C)O[C@H]2C)C[C@@H]1[NH3+] ZINC000300047559 388346360 /nfs/dbraw/zinc/34/63/60/388346360.db2.gz DZIWVWGHGOEIBJ-NAFSEIKSSA-N 1 0 240.347 0.852 10 0 BCAERO CN(C[C@H]1CC[N@H+](C)C1)C(=O)C(C)(C)O ZINC000234383577 388355588 /nfs/dbraw/zinc/35/55/88/388355588.db2.gz BCNQLTAKIJNENI-VIFPVBQESA-N 1 0 214.309 0.167 10 0 BCAERO CC1(C)C[NH2+][C@@H]1C(=O)NC[C@@H]1CCC[C@H]1O ZINC000646428440 388356956 /nfs/dbraw/zinc/35/69/56/388356956.db2.gz NBDNENFVCFHSCG-IVZWLZJFSA-N 1 0 226.320 0.262 10 0 BCAERO CCCCOC[C@@H](O)CN1CC[C@H]([NH+](C)C)C1 ZINC000300295241 388358335 /nfs/dbraw/zinc/35/83/35/388358335.db2.gz NERFVNDRTAKYBR-STQMWFEESA-N 1 0 244.379 0.800 10 0 BCAERO Cn1ncc(NC(=O)CC[NH3+])c1Br ZINC000575522583 388358974 /nfs/dbraw/zinc/35/89/74/388358974.db2.gz GJDBQOKCDQGOHZ-UHFFFAOYSA-N 1 0 247.096 0.470 10 0 BCAERO Cc1ccnc(N2CC[C@@](C)(C[NH3+])C2)n1 ZINC000235926647 388375768 /nfs/dbraw/zinc/37/57/68/388375768.db2.gz IHYWEARNZRFGGU-NSHDSACASA-N 1 0 206.293 0.960 10 0 BCAERO CC[N@@H+]1CCC[C@H](NC(=O)N2CCC2)C1 ZINC000194172950 388480448 /nfs/dbraw/zinc/48/04/48/388480448.db2.gz DFBSDYSMDMPELO-JTQLQIEISA-N 1 0 211.309 0.886 10 0 BCAERO Cc1cc(C[NH3+])cc(NC(=O)[C@@H]2CNC(=O)C2)c1 ZINC000322736455 388444850 /nfs/dbraw/zinc/44/48/50/388444850.db2.gz VTEDFJQKXBZFRM-JTQLQIEISA-N 1 0 247.298 0.528 10 0 BCAERO CC[N@@H+]1CCC[C@@H](NC(=O)N2CCC2)C1 ZINC000194172967 388480563 /nfs/dbraw/zinc/48/05/63/388480563.db2.gz DFBSDYSMDMPELO-SNVBAGLBSA-N 1 0 211.309 0.886 10 0 BCAERO O=C1NC[C@@H](C[N@H+]2CCC[C@@H](CO)CC2)O1 ZINC000393952215 388447430 /nfs/dbraw/zinc/44/74/30/388447430.db2.gz ZKSADRGJSHTBNX-ZJUUUORDSA-N 1 0 228.292 0.189 10 0 BCAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)Nc1ccc(=O)n(C)c1 ZINC000335597166 388451974 /nfs/dbraw/zinc/45/19/74/388451974.db2.gz NEEJIZOKLPBYLV-ONGXEEELSA-N 1 0 249.314 0.712 10 0 BCAERO CN(Cc1cc[nH]n1)C(=O)[C@]1(C)CCCC[NH2+]1 ZINC000336577031 388458413 /nfs/dbraw/zinc/45/84/13/388458413.db2.gz QEBDGYJRKOZVTK-LBPRGKRZSA-N 1 0 236.319 0.900 10 0 BCAERO CCOC[C@@H]([NH2+]C[C@@H]1CNC(=O)O1)C(C)C ZINC000309619185 388459086 /nfs/dbraw/zinc/45/90/86/388459086.db2.gz DTGLPCXTHVCNFG-NXEZZACHSA-N 1 0 230.308 0.746 10 0 BCAERO O=C(N[C@H]1CCCOC1)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000378670234 388481156 /nfs/dbraw/zinc/48/11/56/388481156.db2.gz JLKCPBRWSXJBTO-RGOKHQFPSA-N 1 0 210.277 0.032 10 0 BCAERO COC[C@@H](NC(=O)[C@@H]1C[NH2+]C[C@H]1C)C1CC1 ZINC000397423469 388469661 /nfs/dbraw/zinc/46/96/61/388469661.db2.gz VUXXALDZSWXSGP-FBIMIBRVSA-N 1 0 226.320 0.383 10 0 BCAERO Cc1c(C[NH2+]C[C@H](O)C2CCC2)cnn1C ZINC000316268999 388408050 /nfs/dbraw/zinc/40/80/50/388408050.db2.gz XABHDGTZWMFKQT-LBPRGKRZSA-N 1 0 223.320 0.979 10 0 BCAERO CC(C)[C@H]([NH3+])C(=O)N[C@H](C)[C@H]1CCCO1 ZINC000040460053 388416615 /nfs/dbraw/zinc/41/66/15/388416615.db2.gz NMHFVUMHHKEWPM-BBBLOLIVSA-N 1 0 214.309 0.653 10 0 BCAERO C[C@H]1[C@@H](O)CCC[N@@H+]1CCc1cn[nH]c1 ZINC000298049631 388433996 /nfs/dbraw/zinc/43/39/96/388433996.db2.gz IJWIBMNYNRHIIL-ONGXEEELSA-N 1 0 209.293 0.797 10 0 BCAERO COC(=O)C1=C(O)CC[N@H+](CC2CC2)C1 ZINC000070460838 388437290 /nfs/dbraw/zinc/43/72/90/388437290.db2.gz WVDLIFIWINPMMD-SECBINFHSA-N 1 0 211.261 0.460 10 0 BCAERO OC[C@]1(F)CCN(C[C@@H]2CCC[NH2+]C2)C1 ZINC000261551116 135190133 /nfs/dbraw/zinc/19/01/33/135190133.db2.gz QCWMXJSFCDXVQP-MNOVXSKESA-N 1 0 216.300 0.392 10 0 BCAERO CCCCNC(=O)[C@@H](C)[NH2+][C@H](C)COC ZINC000034938789 388493153 /nfs/dbraw/zinc/49/31/53/388493153.db2.gz KSVCGYWXXXKHQY-NXEZZACHSA-N 1 0 216.325 0.916 10 0 BCAERO Cc1cnn(CC[NH2+][C@@H]2CCC(=O)N[C@H]2C)c1 ZINC000342135537 388495942 /nfs/dbraw/zinc/49/59/42/388495942.db2.gz QWVONXMHTFRDBB-WDEREUQCSA-N 1 0 236.319 0.448 10 0 BCAERO CCC[C@H](C(=O)N(C)CCC(=O)NC)[NH+](C)C ZINC000178656757 388502436 /nfs/dbraw/zinc/50/24/36/388502436.db2.gz LREWYGGPWYTBRG-SNVBAGLBSA-N 1 0 243.351 0.311 10 0 BCAERO CCCCOCC[N@@H+]1C[C@@H](OC)C[C@@H]1CO ZINC000344654736 388509126 /nfs/dbraw/zinc/50/91/26/388509126.db2.gz JZCWAPNJWZOJNC-NEPJUHHUSA-N 1 0 231.336 0.885 10 0 BCAERO CCN1CC[C@@H]([NH2+]C[C@H](C)S(C)(=O)=O)C1 ZINC000516761821 388515647 /nfs/dbraw/zinc/51/56/47/388515647.db2.gz OMQMFZDIVRPVNT-VHSXEESVSA-N 1 0 234.365 0.103 10 0 BCAERO C[C@H]1NC(=O)CC[C@@H]1[NH2+]CCc1cnn(C)c1 ZINC000348347664 388527867 /nfs/dbraw/zinc/52/78/67/388527867.db2.gz KSAHYNXIGJXLKF-KOLCDFICSA-N 1 0 236.319 0.219 10 0 BCAERO Cc1nnc2c(NCC3CC[NH2+]CC3)nccn12 ZINC000079471066 388534738 /nfs/dbraw/zinc/53/47/38/388534738.db2.gz RZMLAUFELKOZSJ-UHFFFAOYSA-N 1 0 246.318 0.844 10 0 BCAERO O=C1N=C(N2CC[NH2+]CC2)O[C@@H]1c1ccccc1 ZINC000082309574 388586820 /nfs/dbraw/zinc/58/68/20/388586820.db2.gz WGFJRZLHROIKGD-LLVKDONJSA-N 1 0 245.282 0.546 10 0 BCAERO C[N@@H+]1CCC[C@H]1CCSC[C@@H](O)CO ZINC000245597127 388592891 /nfs/dbraw/zinc/59/28/91/388592891.db2.gz HSPAWQWIXMNESK-UWVGGRQHSA-N 1 0 219.350 0.557 10 0 BCAERO [NH3+]Cc1nccnc1Sc1nc[nH]n1 ZINC000054378793 388594018 /nfs/dbraw/zinc/59/40/18/388594018.db2.gz IXVBFKLOPVGERZ-UHFFFAOYSA-N 1 0 208.250 0.205 10 0 BCAERO CN(Cc1cnccn1)C(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000649311497 388597990 /nfs/dbraw/zinc/59/79/90/388597990.db2.gz UMLGQAOGSWRQCP-PWSUYJOCSA-N 1 0 248.330 0.810 10 0 BCAERO CC(C)[C@H](C)NC(=O)CN1C[C@H](C)[C@H](C[NH3+])C1 ZINC000631842934 388611007 /nfs/dbraw/zinc/61/10/07/388611007.db2.gz HPPQFMROMVSFKI-SDDRHHMPSA-N 1 0 241.379 0.674 10 0 BCAERO CCOC[C@H]1C[N@@H+]([C@@H]2CCC[C@H]2O)CCO1 ZINC000528733810 388564020 /nfs/dbraw/zinc/56/40/20/388564020.db2.gz WZMTZLZRTNLBCX-IJLUTSLNSA-N 1 0 229.320 0.637 10 0 BCAERO CSCCC[N@@H+]1CCC[C@@](O)(C(N)=O)C1 ZINC000368489724 388569525 /nfs/dbraw/zinc/56/95/25/388569525.db2.gz FLECLVOFBFZVNK-JTQLQIEISA-N 1 0 232.349 0.052 10 0 BCAERO CCCCNC(=O)C[N@@H+]1CCC[C@@H](O)[C@@H]1C ZINC000385060704 388573714 /nfs/dbraw/zinc/57/37/14/388573714.db2.gz USHLSPAWVGECGZ-WDEREUQCSA-N 1 0 228.336 0.748 10 0 BCAERO Cc1cccc(CNC(=O)[C@@H]2C[NH2+]CCOC2)n1 ZINC000649296575 388574293 /nfs/dbraw/zinc/57/42/93/388574293.db2.gz RXSSPIKWBNBCBA-LLVKDONJSA-N 1 0 249.314 0.242 10 0 BCAERO CCC[C@H](O)C[N@H+](C)C[C@@H]1CN(C)CCO1 ZINC000649297428 388575432 /nfs/dbraw/zinc/57/54/32/388575432.db2.gz PRKRAEPJNFSGFT-RYUDHWBXSA-N 1 0 230.352 0.410 10 0 BCAERO CC[N@@H+]1CCC[C@@H]1CN(C)[C@H](C)C(N)=O ZINC000245424493 388577632 /nfs/dbraw/zinc/57/76/32/388577632.db2.gz KCYQVRSLKLHTJC-NXEZZACHSA-N 1 0 213.325 0.276 10 0 BCAERO C[C@@H](O)C1CCN(C(=O)C(C)(C)[NH3+])CC1 ZINC000225414539 388678228 /nfs/dbraw/zinc/67/82/28/388678228.db2.gz KLWOVWOFESZQCT-MRVPVSSYSA-N 1 0 214.309 0.343 10 0 BCAERO CC[C@@H]1CC[N@H+](C[C@@H](O)CN2CCCC2=O)C1 ZINC000246321198 388630030 /nfs/dbraw/zinc/63/00/30/388630030.db2.gz WYUXGCVGAJRFOX-VXGBXAGGSA-N 1 0 240.347 0.702 10 0 BCAERO O=C(c1ccncc1)N1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC000403974105 388632550 /nfs/dbraw/zinc/63/25/50/388632550.db2.gz CRHPKUUXENGLAT-NEPJUHHUSA-N 1 0 247.298 0.285 10 0 BCAERO CCS(=O)(=O)C[C@H]1CC[C@H]([NH3+])CC1 ZINC000575442723 388635493 /nfs/dbraw/zinc/63/54/93/388635493.db2.gz NMWBAKSBJYHVRT-KYZUINATSA-N 1 0 205.323 0.939 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N[C@@H](COC)C(C)C ZINC000083399451 388638062 /nfs/dbraw/zinc/63/80/62/388638062.db2.gz MPSUDVIHWLNERR-UWVGGRQHSA-N 1 0 216.325 0.901 10 0 BCAERO O=S1(=O)CCC[C@@H]1C[C@@H]1CCC[NH2+]1 ZINC000575450720 388736204 /nfs/dbraw/zinc/73/62/04/388736204.db2.gz RAVQZQWKLGEGNB-DTWKUNHWSA-N 1 0 203.307 0.706 10 0 BCAERO CCn1cc([C@H]2NC(=O)CC[C@H]2[NH3+])cn1 ZINC000234257486 388700883 /nfs/dbraw/zinc/70/08/83/388700883.db2.gz SIAGUQYTBGASAB-PSASIEDQSA-N 1 0 208.265 0.181 10 0 BCAERO [NH3+]C[C@@H]1CCO[C@@H]1c1nc(C2CC2)no1 ZINC000399704540 388702568 /nfs/dbraw/zinc/70/25/68/388702568.db2.gz YXNKQHHXNUAHKC-YUMQZZPRSA-N 1 0 209.249 0.983 10 0 BCAERO COC[C@@H](C)C[N@@H+]1CCCNC(=O)[C@H]1C ZINC000249023457 388704757 /nfs/dbraw/zinc/70/47/57/388704757.db2.gz KMSPORPPFOLVNC-VHSXEESVSA-N 1 0 214.309 0.479 10 0 BCAERO COC[C@H](C)CN1CCO[C@@H](C[NH+](C)C)C1 ZINC000249188596 388711734 /nfs/dbraw/zinc/71/17/34/388711734.db2.gz MKTAZEZSUXLVAG-NEPJUHHUSA-N 1 0 230.352 0.531 10 0 BCAERO CSC[C@H](O)C[N@H+]1[C@H](C)COC[C@@H]1C ZINC000249191909 388711871 /nfs/dbraw/zinc/71/18/71/388711871.db2.gz AGDNDJMLTYVSNP-KXUCPTDWSA-N 1 0 219.350 0.820 10 0 BCAERO C[C@@H]1C[N@H+](C[C@H](O)COC(C)(C)C)CC[C@H]1O ZINC000249556165 388726494 /nfs/dbraw/zinc/72/64/94/388726494.db2.gz JUYLMJABTITPEN-GRYCIOLGSA-N 1 0 245.363 0.865 10 0 BCAERO CC[NH+](CC)CC(=O)N[C@@H]1CCC[N@H+](CC)C1 ZINC000068116863 388760212 /nfs/dbraw/zinc/76/02/12/388760212.db2.gz MTNUPKYFJAWYFP-GFCCVEGCSA-N 1 0 241.379 0.929 10 0 BCAERO CCCCOC[C@H](O)C[N@@H+]1CC[C@@H](OC)C1 ZINC000227908284 388761135 /nfs/dbraw/zinc/76/11/35/388761135.db2.gz KBFGKOSOCBXJGZ-VXGBXAGGSA-N 1 0 231.336 0.885 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)O1 ZINC000228068780 388767539 /nfs/dbraw/zinc/76/75/39/388767539.db2.gz YFNJQEYYLHIMLT-LNFKQOIKSA-N 1 0 226.320 0.750 10 0 BCAERO CC[C@@](C)(O)C[N@@H+]1CC[C@@H](CCO)C1 ZINC000229203960 388781979 /nfs/dbraw/zinc/78/19/79/388781979.db2.gz WGZPKGOPEJKUIW-WDEREUQCSA-N 1 0 201.310 0.852 10 0 BCAERO Brc1ccc(O[C@@H]2CC[NH2+]C2)nn1 ZINC000575456480 388786901 /nfs/dbraw/zinc/78/69/01/388786901.db2.gz QZHYRBUJYDJUQM-ZCFIWIBFSA-N 1 0 244.092 0.980 10 0 BCAERO O[C@@H](c1cncs1)[C@@H]1C[NH2+]CCO1 ZINC000575456759 388788017 /nfs/dbraw/zinc/78/80/17/388788017.db2.gz OKOSKJDKVSSMJW-POYBYMJQSA-N 1 0 200.263 0.165 10 0 BCAERO CO[C@@H]1C[C@@H](CO)[N@H+](CCc2ccccn2)C1 ZINC000284510253 388828434 /nfs/dbraw/zinc/82/84/34/388828434.db2.gz DYMDPPHWXRUJSP-QWHCGFSZSA-N 1 0 236.315 0.706 10 0 BCAERO COc1ncc([C@H]2COC[C@H]2[NH3+])s1 ZINC000575464574 388832930 /nfs/dbraw/zinc/83/29/30/388832930.db2.gz QBFJKQZNHXOJKP-NTSWFWBYSA-N 1 0 200.263 0.593 10 0 BCAERO [NH3+][C@@H](C(F)F)C1CCS(=O)(=O)CC1 ZINC000575466106 388835565 /nfs/dbraw/zinc/83/55/65/388835565.db2.gz MWEMLQUMIMKODK-ZCFIWIBFSA-N 1 0 213.249 0.404 10 0 BCAERO [NH3+][C@@H]1CCO[C@@H]1[C@@H](O)c1ccsn1 ZINC000575466392 388837391 /nfs/dbraw/zinc/83/73/91/388837391.db2.gz MNXCAUPNMSDAKT-DTLFHODZSA-N 1 0 200.263 0.293 10 0 BCAERO CN1C[C@H]([NH2+]C[C@H](O)C(C)(C)C)CCC1=O ZINC000304253974 388863767 /nfs/dbraw/zinc/86/37/67/388863767.db2.gz ROGWJZCEMMVABQ-ZJUUUORDSA-N 1 0 228.336 0.604 10 0 BCAERO O=S1(=O)CCC[C@@H]1C[C@H]1CC[NH2+]C1 ZINC000575496155 388967289 /nfs/dbraw/zinc/96/72/89/388967289.db2.gz KGAKNVRISLQNKK-RKDXNWHRSA-N 1 0 203.307 0.563 10 0 BCAERO c1snnc1CN1CC[C@H]2OCC[NH2+][C@@H]2C1 ZINC000404193265 388951354 /nfs/dbraw/zinc/95/13/54/388951354.db2.gz MCUSZDHMLGXDRB-NXEZZACHSA-N 1 0 240.332 0.101 10 0 BCAERO CCc1nnc(CN2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)n1C ZINC000565540264 388953106 /nfs/dbraw/zinc/95/31/06/388953106.db2.gz OBIXCKZOHKUVRS-AXFHLTTASA-N 1 0 249.362 0.547 10 0 BCAERO C/C(=C\[C@H]1CCCCS1(=O)=O)C[NH3+] ZINC000575496561 388974375 /nfs/dbraw/zinc/97/43/75/388974375.db2.gz OXPFHNJQCJEOJE-BNICOGTQSA-N 1 0 203.307 0.859 10 0 BCAERO C[C@@H](C[NH2+]C[C@H](O)C(C)(C)C)S(C)(=O)=O ZINC000566113869 388987957 /nfs/dbraw/zinc/98/79/57/388987957.db2.gz ZZQBAPZARSVKRF-IUCAKERBSA-N 1 0 237.365 0.416 10 0 BCAERO C[C@@H](C[NH3+])N1CC(=O)Nc2ccccc21 ZINC000043513381 132353416 /nfs/dbraw/zinc/35/34/16/132353416.db2.gz VTZZOTRFTVNVSP-QMMMGPOBSA-N 1 0 205.261 0.792 10 0 BCAERO C(CN1CC[N@@H+]2CCC[C@H]2C1)C1OCCO1 ZINC000185339534 533359879 /nfs/dbraw/zinc/35/98/79/533359879.db2.gz ZVWNITNRYNAFFY-NSHDSACASA-N 1 0 226.320 0.529 10 0 BCAERO COC(=O)CC[N@@H+]1C[C@H](C)C[C@@H](O)C1 ZINC000401897821 533429760 /nfs/dbraw/zinc/42/97/60/533429760.db2.gz LKXSITQVXRCDIZ-RKDXNWHRSA-N 1 0 201.266 0.252 10 0 BCAERO O[C@H](C[NH2+]CC1CC(O)C1)C(F)(F)F ZINC000084449000 322835771 /nfs/dbraw/zinc/83/57/71/322835771.db2.gz UCIFUZWROFMFGJ-KPGICGJXSA-N 1 0 213.199 0.270 10 0 BCAERO CC(C)CCN(CC[NH3+])[C@@H]1CCS(=O)(=O)C1 ZINC000076634928 166835275 /nfs/dbraw/zinc/83/52/75/166835275.db2.gz UIEOYUQTGIFRRU-LLVKDONJSA-N 1 0 248.392 0.480 10 0 BCAERO Cc1cccc(N2CCO[C@H](C[NH3+])C2)n1 ZINC000041059080 132223807 /nfs/dbraw/zinc/22/38/07/132223807.db2.gz HLCKJLRGXCTYCS-SNVBAGLBSA-N 1 0 207.277 0.554 10 0 BCAERO [NH3+]C[C@@H]1CN(c2ccc(Cl)cn2)CCO1 ZINC000041059070 132223951 /nfs/dbraw/zinc/22/39/51/132223951.db2.gz JYRBOMMVZNHKIH-SECBINFHSA-N 1 0 227.695 0.899 10 0 BCAERO COc1ccnc(N2CCC[C@@H](C[NH3+])C2)n1 ZINC000044532066 132224872 /nfs/dbraw/zinc/22/48/72/132224872.db2.gz WQEVZSQGQMKXJJ-VIFPVBQESA-N 1 0 222.292 0.660 10 0 BCAERO OCc1ccnc(N2CC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000341613925 132226703 /nfs/dbraw/zinc/22/67/03/132226703.db2.gz NBXCSCIMMMSCDG-LLVKDONJSA-N 1 0 234.303 0.253 10 0 BCAERO C[C@H]1CCCN(c2ncnc3nc[nH]c32)[C@@H]1C[NH3+] ZINC000070178364 132230333 /nfs/dbraw/zinc/23/03/33/132230333.db2.gz CTYACOWDHSUKNB-DTWKUNHWSA-N 1 0 246.318 0.917 10 0 BCAERO C[C@@H]1CCCN(c2ccnc(C(N)=O)c2)[C@@H]1C[NH3+] ZINC000070178417 132230439 /nfs/dbraw/zinc/23/04/39/132230439.db2.gz GSCLOZPVRDWNFU-BXKDBHETSA-N 1 0 248.330 0.744 10 0 BCAERO C[C@H]1CN(c2ccnc(N(C)C)n2)CC[C@@H]1[NH3+] ZINC000094342673 132238882 /nfs/dbraw/zinc/23/88/82/132238882.db2.gz NLZILMQWGWJIAO-UWVGGRQHSA-N 1 0 235.335 0.716 10 0 BCAERO CCc1nnc(N2CC[NH2+][C@H](C)C2)nc1CC ZINC000097836856 132242529 /nfs/dbraw/zinc/24/25/29/132242529.db2.gz SBPQFOKJCDOPRK-SECBINFHSA-N 1 0 235.335 0.795 10 0 BCAERO CCCc1cc(=O)[nH]c(N2CC[NH2+]CC2)n1 ZINC000020394139 132284335 /nfs/dbraw/zinc/28/43/35/132284335.db2.gz AVYIKAGXUVIOGP-UHFFFAOYSA-N 1 0 222.292 0.132 10 0 BCAERO [NH3+]C1CCN(c2ncnc3n[nH]cc32)CC1 ZINC000029051085 132294945 /nfs/dbraw/zinc/29/49/45/132294945.db2.gz CFHQYSKGGQEOCZ-UHFFFAOYSA-N 1 0 218.264 0.280 10 0 BCAERO CCc1ncnc(N2CC[NH2+]CC2)c1C ZINC000045950679 132298553 /nfs/dbraw/zinc/29/85/53/132298553.db2.gz BOMPCWHRPPWUHF-UHFFFAOYSA-N 1 0 206.293 0.757 10 0 BCAERO COCc1nc2c(c(N3CC[NH2+]CC3)n1)CCC2 ZINC000057328710 132301268 /nfs/dbraw/zinc/30/12/68/132301268.db2.gz KDMCMNNBUWZGGB-UHFFFAOYSA-N 1 0 248.330 0.521 10 0 BCAERO Cc1cnc(N2C[C@H](C)[NH2+]C[C@H]2C)nc1 ZINC000250882805 132303348 /nfs/dbraw/zinc/30/33/48/132303348.db2.gz WOJPFNJIPNVCMQ-VHSXEESVSA-N 1 0 206.293 0.972 10 0 BCAERO O=C1COc2ccccc2N1C[C@@H]1C[NH2+]CCO1 ZINC000033826607 132312008 /nfs/dbraw/zinc/31/20/08/132312008.db2.gz FHUZKUJLYYMKMU-JTQLQIEISA-N 1 0 248.282 0.400 10 0 BCAERO O=C1CCc2ccccc2N1C[C@H]1C[NH2+]CCO1 ZINC000003781550 132315675 /nfs/dbraw/zinc/31/56/75/132315675.db2.gz YGRBSALMSJKUGV-GFCCVEGCSA-N 1 0 246.310 0.954 10 0 BCAERO NC(=O)C1CCN(c2cc(C[NH3+])ccn2)CC1 ZINC000019260859 132324319 /nfs/dbraw/zinc/32/43/19/132324319.db2.gz RJUXWJPSVYCCKY-UHFFFAOYSA-N 1 0 234.303 0.242 10 0 BCAERO C[C@@H](C[NH3+])N1CCN(c2ccccn2)CC1 ZINC000019390435 132324700 /nfs/dbraw/zinc/32/47/00/132324700.db2.gz DSHBYGJXIFNKHL-NSHDSACASA-N 1 0 220.320 0.551 10 0 BCAERO C[C@@H]1CN(c2ccc(C(N)=[NH2+])cn2)CCO1 ZINC000019435536 132325208 /nfs/dbraw/zinc/32/52/08/132325208.db2.gz GRKUKAMCLVCJMV-MRVPVSSYSA-N 1 0 220.276 0.591 10 0 BCAERO C[C@@H]1CN(c2cc(C(N)=[NH2+])ccn2)CCO1 ZINC000019519637 132326034 /nfs/dbraw/zinc/32/60/34/132326034.db2.gz MKGZQRNZYUUJIA-MRVPVSSYSA-N 1 0 220.276 0.591 10 0 BCAERO C[C@@H](O)C[NH+]1CCN(c2cccc(N)c2)CC1 ZINC000020265190 132330409 /nfs/dbraw/zinc/33/04/09/132330409.db2.gz WJPXGYMDCJPECY-LLVKDONJSA-N 1 0 235.331 0.772 10 0 BCAERO O=C1Nc2ccc(F)cc2N2CC[NH2+]C[C@@H]12 ZINC000026158571 132333691 /nfs/dbraw/zinc/33/36/91/132333691.db2.gz PNJPHDVKSHAMGL-JTQLQIEISA-N 1 0 221.235 0.556 10 0 BCAERO COc1cncc(N2CC[C@H]3C[NH2+][C@H]3C2)c1 ZINC000035080253 132337546 /nfs/dbraw/zinc/33/75/46/132337546.db2.gz LCZKBGIGJPKGQW-CABZTGNLSA-N 1 0 219.288 0.888 10 0 BCAERO [NH3+]Cc1ccnc(N2CCC[C@H](CO)C2)c1 ZINC000036205636 132340649 /nfs/dbraw/zinc/34/06/49/132340649.db2.gz BELDVIRNVMPZAK-NSHDSACASA-N 1 0 221.304 0.749 10 0 BCAERO CNC(=O)C1CCN(c2cc(C[NH3+])ccn2)CC1 ZINC000036797037 132342787 /nfs/dbraw/zinc/34/27/87/132342787.db2.gz PSQUGCJCCAQTKO-UHFFFAOYSA-N 1 0 248.330 0.503 10 0 BCAERO COC(=O)CNC1CCN(c2cc[nH+]cc2)CC1 ZINC000036960328 132343045 /nfs/dbraw/zinc/34/30/45/132343045.db2.gz AYZBXYINCFITHN-UHFFFAOYSA-N 1 0 249.314 0.813 10 0 BCAERO C[C@@H]([NH3+])CCN1CCN(c2ccccn2)CC1 ZINC000037401931 132344164 /nfs/dbraw/zinc/34/41/64/132344164.db2.gz GJZCXPXSLPSJGD-GFCCVEGCSA-N 1 0 234.347 0.941 10 0 BCAERO Fc1cc(F)nc(N2CC[NH2+]CC2)n1 ZINC000039115538 132346643 /nfs/dbraw/zinc/34/66/43/132346643.db2.gz ZDZCOGSFUBKAOM-UHFFFAOYSA-N 1 0 200.192 0.164 10 0 BCAERO Cc1noc(-c2cccnc2N2CC[NH2+]CC2)n1 ZINC000040351910 132347410 /nfs/dbraw/zinc/34/74/10/132347410.db2.gz TUMXUUNDMORLKD-UHFFFAOYSA-N 1 0 245.286 0.850 10 0 BCAERO [NH3+][C@@H]1CCC[C@H]1N1CCN(c2ncccn2)CC1 ZINC000040431832 132347685 /nfs/dbraw/zinc/34/76/85/132347685.db2.gz JDMISEUKCDSOJZ-VXGBXAGGSA-N 1 0 247.346 0.478 10 0 BCAERO CC[NH+]1CCN(c2ncc(N)cn2)CC1 ZINC000040455098 132347818 /nfs/dbraw/zinc/34/78/18/132347818.db2.gz QGUXQWVQFAEMHJ-UHFFFAOYSA-N 1 0 207.281 0.201 10 0 BCAERO NC(=O)c1ccc(N2CCC[C@H]([NH3+])C2)nc1 ZINC000041030199 132348803 /nfs/dbraw/zinc/34/88/03/132348803.db2.gz CLYKWPWSUATSBU-VIFPVBQESA-N 1 0 220.276 0.108 10 0 BCAERO NC(=O)c1ccnc(N2CCC[C@@H]([NH3+])C2)c1 ZINC000041030202 132348829 /nfs/dbraw/zinc/34/88/29/132348829.db2.gz GLGNONLPFYQJEZ-SECBINFHSA-N 1 0 220.276 0.108 10 0 BCAERO [NH3+]CCN1CCN(c2ccc(F)cn2)CC1 ZINC000041045261 132349171 /nfs/dbraw/zinc/34/91/71/132349171.db2.gz QYRKMLWPTLTBTM-UHFFFAOYSA-N 1 0 224.283 0.301 10 0 BCAERO NC(=O)[C@@H]1CCCCN1c1ncccc1C[NH3+] ZINC000042403561 132351153 /nfs/dbraw/zinc/35/11/53/132351153.db2.gz HHIIOWZFZFKZEC-JTQLQIEISA-N 1 0 234.303 0.385 10 0 BCAERO CNC(=O)[C@H]1CCCCN1c1cc(C[NH3+])ccn1 ZINC000042408001 132351513 /nfs/dbraw/zinc/35/15/13/132351513.db2.gz FLQJFBGEVMQDCN-LLVKDONJSA-N 1 0 248.330 0.645 10 0 BCAERO C[C@@H]1CC[C@H](C(N)=O)CN1c1cc[nH+]cc1N ZINC000042427638 132351960 /nfs/dbraw/zinc/35/19/60/132351960.db2.gz KLGXEGGPFYUABJ-BDAKNGLRSA-N 1 0 234.303 0.754 10 0 BCAERO Cn1ncc2c1ncnc2N1CCCC[C@@H]1C[NH3+] ZINC000044559338 132354354 /nfs/dbraw/zinc/35/43/54/132354354.db2.gz DXQSPLLIFRNBKY-SECBINFHSA-N 1 0 246.318 0.681 10 0 BCAERO [NH3+]Cc1cc(F)ccc1N1CCS(=O)CC1 ZINC000049692220 132356330 /nfs/dbraw/zinc/35/63/30/132356330.db2.gz QRBDTZDJUSSDHX-UHFFFAOYSA-N 1 0 242.319 0.853 10 0 BCAERO Nc1cc2c(cc1N1CC[NH2+]CC1)NC(=O)C2 ZINC000050607411 132359298 /nfs/dbraw/zinc/35/92/98/132359298.db2.gz GYQHJVHYLLGARC-UHFFFAOYSA-N 1 0 232.287 0.173 10 0 BCAERO C[C@H]1CN(c2cccc(C[NH3+])n2)CCO1 ZINC000051396226 132360166 /nfs/dbraw/zinc/36/01/66/132360166.db2.gz SXSXSHWADZNAAX-VIFPVBQESA-N 1 0 207.277 0.765 10 0 BCAERO C[NH2+]Cc1ccc(N2CCSCC2)nn1 ZINC000051438026 132361111 /nfs/dbraw/zinc/36/11/11/132361111.db2.gz SQGMTTRPNAWLIF-UHFFFAOYSA-N 1 0 224.333 0.749 10 0 BCAERO Cc1ccc(C(N)=O)c(N2CC[NH2+]CC2)c1 ZINC000051578141 132361362 /nfs/dbraw/zinc/36/13/62/132361362.db2.gz GOKORTNPDAKARE-UHFFFAOYSA-N 1 0 219.288 0.504 10 0 BCAERO C[NH2+]CC[C@H](C)N1CCN(c2ncccn2)CC1 ZINC000052418473 132362260 /nfs/dbraw/zinc/36/22/60/132362260.db2.gz WBGIGWWNOOLHOS-LBPRGKRZSA-N 1 0 249.362 0.597 10 0 BCAERO COc1ccc2c(c1)N1CC[NH2+]C[C@H]1C(=O)N2 ZINC000053151319 132362793 /nfs/dbraw/zinc/36/27/93/132362793.db2.gz MEKHKGAXGNFGDK-NSHDSACASA-N 1 0 233.271 0.426 10 0 BCAERO [NH3+]Cc1nccnc1N1CCCC[C@@H]1CCO ZINC000054376944 132364193 /nfs/dbraw/zinc/36/41/93/132364193.db2.gz FAMGMBUNZMRFRO-SNVBAGLBSA-N 1 0 236.319 0.677 10 0 BCAERO [NH3+]Cc1nccnc1N1CCCC[C@H]1CCO ZINC000054376945 132364351 /nfs/dbraw/zinc/36/43/51/132364351.db2.gz FAMGMBUNZMRFRO-JTQLQIEISA-N 1 0 236.319 0.677 10 0 BCAERO [NH3+]Cc1nccnc1N1CCSCC1 ZINC000054377207 132364426 /nfs/dbraw/zinc/36/44/26/132364426.db2.gz JNSQHPFCDZQLCN-UHFFFAOYSA-N 1 0 210.306 0.489 10 0 BCAERO Fc1ccc(N2CCN(C3C[NH2+]C3)CC2)cc1 ZINC000054931362 132365119 /nfs/dbraw/zinc/36/51/19/132365119.db2.gz QMBDAHUTOVHIAL-UHFFFAOYSA-N 1 0 235.306 0.920 10 0 BCAERO Cc1ccc(N2CCN([C@H](C)C[NH3+])CC2)nc1 ZINC000058022126 132367985 /nfs/dbraw/zinc/36/79/85/132367985.db2.gz CQAVIQCEDPJQSX-GFCCVEGCSA-N 1 0 234.347 0.859 10 0 BCAERO [NH3+]Cc1cc(N2CCn3ccnc3C2)ccn1 ZINC000062245255 132387513 /nfs/dbraw/zinc/38/75/13/132387513.db2.gz GYULSSNGMXRUQO-UHFFFAOYSA-N 1 0 229.287 0.757 10 0 BCAERO C[C@@H]([NH3+])[C@@H]1CCCCN1c1nccn(C)c1=O ZINC000063196755 132389091 /nfs/dbraw/zinc/38/90/91/132389091.db2.gz DWGBCABMORUIAT-ZJUUUORDSA-N 1 0 236.319 0.486 10 0 BCAERO C[NH2+]C[C@@H]1CCCCN1c1ccnc(C(N)=O)c1 ZINC000063169513 132389477 /nfs/dbraw/zinc/38/94/77/132389477.db2.gz WLXSXANIQFYWCE-NSHDSACASA-N 1 0 248.330 0.759 10 0 BCAERO C[NH2+]C[C@@H]1CCCCN1c1nccnc1C(N)=O ZINC000063169477 132389629 /nfs/dbraw/zinc/38/96/29/132389629.db2.gz PPDFBSPFAJRLKB-VIFPVBQESA-N 1 0 249.318 0.154 10 0 BCAERO C[C@@H]([NH3+])[C@H]1CCCCN1c1cncc2nnnn21 ZINC000063196559 132389799 /nfs/dbraw/zinc/38/97/99/132389799.db2.gz GOKCVUXXLGGCBQ-RKDXNWHRSA-N 1 0 247.306 0.225 10 0 BCAERO C[C@@H]([NH3+])C(=O)N1CCN(c2cccc(O)c2)CC1 ZINC000157121233 132443897 /nfs/dbraw/zinc/44/38/97/132443897.db2.gz KPNYCARRKQLLPS-SNVBAGLBSA-N 1 0 249.314 0.388 10 0 BCAERO Cc1cc(=O)[nH]cc1C(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000158022000 133496056 /nfs/dbraw/zinc/49/60/56/133496056.db2.gz OJVVGZWFGMSRAJ-MWLCHTKSSA-N 1 0 249.314 0.541 10 0 BCAERO [NH3+]C[C@@H]1CCCN1C(=O)CC[C@H]1CCCO1 ZINC000083525663 133527035 /nfs/dbraw/zinc/52/70/35/133527035.db2.gz VOFBFPCPHRSDLK-WDEREUQCSA-N 1 0 226.320 0.895 10 0 BCAERO [NH3+]C1(C(=O)NC[C@H]2CCCC[C@@H]2O)CCC1 ZINC000088051343 133545893 /nfs/dbraw/zinc/54/58/93/133545893.db2.gz AUHOZSZCZBLHKJ-ZJUUUORDSA-N 1 0 226.320 0.535 10 0 BCAERO Cc1nc(CN(C)C(=O)C2([NH3+])CC2)cs1 ZINC000083835644 133561475 /nfs/dbraw/zinc/56/14/75/133561475.db2.gz PLMNVADOISFWHX-UHFFFAOYSA-N 1 0 225.317 0.901 10 0 BCAERO CO[C@H](C)CCC(=O)N(C)C1C[NH2+]C1 ZINC000166787310 133960421 /nfs/dbraw/zinc/96/04/21/133960421.db2.gz HGBRRYJAUGSWPS-MRVPVSSYSA-N 1 0 200.282 0.232 10 0 BCAERO C[C@H]1CCN(C(=O)[C@@H]2CCCO2)C[C@@H]1C[NH3+] ZINC000167617877 134152819 /nfs/dbraw/zinc/15/28/19/134152819.db2.gz QIEBTGBLYQZQKU-DCAQKATOSA-N 1 0 226.320 0.609 10 0 BCAERO [NH3+][C@H]1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC000085009449 134220809 /nfs/dbraw/zinc/22/08/09/134220809.db2.gz INFSKKRJYCVKHK-WDSKDSINSA-N 1 0 210.199 0.792 10 0 BCAERO COCCCNC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000085009745 134220840 /nfs/dbraw/zinc/22/08/40/134220840.db2.gz ZMCUFKWRQNOASV-DTWKUNHWSA-N 1 0 200.282 0.267 10 0 BCAERO [NH3+][C@H]1CC[C@@H](C(=O)NCC2CCOCC2)C1 ZINC000085013264 134221364 /nfs/dbraw/zinc/22/13/64/134221364.db2.gz KCGPUHZRWMVBNL-MNOVXSKESA-N 1 0 226.320 0.657 10 0 BCAERO [NH3+][C@H]1CC[C@@H](C(=O)NCc2cscn2)C1 ZINC000085013296 134221439 /nfs/dbraw/zinc/22/14/39/134221439.db2.gz LRFWLSZKRFODFH-SFYZADRCSA-N 1 0 225.317 0.887 10 0 BCAERO COc1ccnc(N2CC[C@@H]([C@@H](C)[NH3+])C2)n1 ZINC000168579457 134227179 /nfs/dbraw/zinc/22/71/79/134227179.db2.gz ZYBMMJYMVFIJPS-RKDXNWHRSA-N 1 0 222.292 0.659 10 0 BCAERO CCCNC(=O)CN(C)[C@H]1CCC[NH2+]CC1 ZINC000168806145 134246783 /nfs/dbraw/zinc/24/67/83/134246783.db2.gz RHBWUJLVHSHHLC-NSHDSACASA-N 1 0 227.352 0.587 10 0 BCAERO COCCC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000170728081 134253062 /nfs/dbraw/zinc/25/30/62/134253062.db2.gz AQBLFGQFQPTKSW-SNVBAGLBSA-N 1 0 212.293 0.330 10 0 BCAERO Cn1cc([C@@H]2CCN(C(=O)C[NH+](C)C)C2)cn1 ZINC000172137686 134262120 /nfs/dbraw/zinc/26/21/20/134262120.db2.gz UNLBSINKWDZCJG-SNVBAGLBSA-N 1 0 236.319 0.298 10 0 BCAERO Cc1ccc(F)c(C(=O)NC2C[NH2+]C2)c1 ZINC000085255742 134262213 /nfs/dbraw/zinc/26/22/13/134262213.db2.gz NEPWLDBZXROGGU-UHFFFAOYSA-N 1 0 208.236 0.836 10 0 BCAERO Cc1noc(C)c1C(=O)N(C)C1C[NH2+]C1 ZINC000085257563 134269103 /nfs/dbraw/zinc/26/91/03/134269103.db2.gz DHBVCBKBRPVOED-UHFFFAOYSA-N 1 0 209.249 0.335 10 0 BCAERO Cc1ccc(C(=O)N(C)C2C[NH2+]C2)n1C ZINC000085257745 134269999 /nfs/dbraw/zinc/26/99/99/134269999.db2.gz QECRALZTKSILAD-UHFFFAOYSA-N 1 0 207.277 0.377 10 0 BCAERO C[C@@H](NC(=O)N(C)CC[NH+](C)C)[C@H]1CCCO1 ZINC000176224597 134289854 /nfs/dbraw/zinc/28/98/54/134289854.db2.gz IYHJEEIBMZWKHG-GHMZBOCLSA-N 1 0 243.351 0.757 10 0 BCAERO O=C1OCC[C@H]1CCN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000177665142 134300775 /nfs/dbraw/zinc/30/07/75/134300775.db2.gz PPKQFYRYZXYXDQ-VXGBXAGGSA-N 1 0 238.331 0.720 10 0 BCAERO [NH3+]C[C@@H]1CCCN1C(=O)C(F)(F)C(F)F ZINC000178271758 134305785 /nfs/dbraw/zinc/30/57/85/134305785.db2.gz SEJVTYOQMMYBNE-YFKPBYRVSA-N 1 0 228.189 0.837 10 0 BCAERO CCO[C@H]1C[C@H]1C(=O)NCCC[NH2+]C ZINC000178417129 134310313 /nfs/dbraw/zinc/31/03/13/134310313.db2.gz JATIFKZPEQRGCB-BDAKNGLRSA-N 1 0 200.282 0.137 10 0 BCAERO C[C@@H]([NH3+])CCNC(=O)CCOC[C@@H]1CCCO1 ZINC000178617420 134312005 /nfs/dbraw/zinc/31/20/05/134312005.db2.gz LLOCTUSGMBFXMK-MNOVXSKESA-N 1 0 244.335 0.426 10 0 BCAERO CSCCCC(=O)NCC[C@@H](C)[NH3+] ZINC000178702210 134313270 /nfs/dbraw/zinc/31/32/70/134313270.db2.gz LXFGKGBGRJRJKM-MRVPVSSYSA-N 1 0 204.339 0.983 10 0 BCAERO C[C@H]([NH2+]C[C@@H]1CN(C)CCO1)C1CCOCC1 ZINC000221959684 134326600 /nfs/dbraw/zinc/32/66/00/134326600.db2.gz KGYVMZOMTZYNFH-WCQYABFASA-N 1 0 242.363 0.722 10 0 BCAERO C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3ncnn3C2)CCN1C ZINC000180597596 134330011 /nfs/dbraw/zinc/33/00/11/134330011.db2.gz JRCBSDAJKHSHOV-IJLUTSLNSA-N 1 0 249.362 0.665 10 0 BCAERO COCCC[C@H](C)[NH2+][C@H]1CCc2ncnn2C1 ZINC000180598198 134330130 /nfs/dbraw/zinc/33/01/30/134330130.db2.gz JMGBSPHVJKNGAL-QWRGUYRKSA-N 1 0 238.335 0.998 10 0 BCAERO CO[C@H](C)C[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000182148563 134342449 /nfs/dbraw/zinc/34/24/49/134342449.db2.gz CCCOUKQTKBHTIQ-MNOVXSKESA-N 1 0 224.308 0.950 10 0 BCAERO CCOC(=O)[C@H](C)N1C[C@@H](C)[C@@H]([NH+](C)C)C1 ZINC000226081536 134358434 /nfs/dbraw/zinc/35/84/34/134358434.db2.gz NBLRFSXELKZISJ-VWYCJHECSA-N 1 0 228.336 0.820 10 0 BCAERO OCC[C@@H]1CC[N@@H+]([C@@H]2CCCC[C@H]2O)C1 ZINC000226254270 134361984 /nfs/dbraw/zinc/36/19/84/134361984.db2.gz QZWQSHLQJATTLB-QJPTWQEYSA-N 1 0 213.321 0.994 10 0 BCAERO CCCCOC(=O)CC[N@@H+]1C[C@H](O)C[C@@H]1CO ZINC000185141470 134371644 /nfs/dbraw/zinc/37/16/44/134371644.db2.gz WJSITJCAJQLJGT-GHMZBOCLSA-N 1 0 245.319 0.147 10 0 BCAERO NC(=O)c1cccc(C[N@@H+]2CC[C@@H](CCO)C2)c1 ZINC000227571677 134383116 /nfs/dbraw/zinc/38/31/16/134383116.db2.gz NTEPWGOKTGOCSQ-NSHDSACASA-N 1 0 248.326 0.990 10 0 BCAERO CC(C)[C@@H](C)NC(=O)C[N@@H+]1CC[C@@H](CCO)C1 ZINC000227567473 134383250 /nfs/dbraw/zinc/38/32/50/134383250.db2.gz JKFKDOUXFLDYBL-NEPJUHHUSA-N 1 0 242.363 0.851 10 0 BCAERO NC(=O)c1cccc(C[N@@H+]2CC[C@H](CCO)C2)c1 ZINC000227571681 134383501 /nfs/dbraw/zinc/38/35/01/134383501.db2.gz NTEPWGOKTGOCSQ-LLVKDONJSA-N 1 0 248.326 0.990 10 0 BCAERO C[C@@H](C(=O)N(C)C)[N@@H+]1CC[C@@H](CCO)C1 ZINC000227576275 134385693 /nfs/dbraw/zinc/38/56/93/134385693.db2.gz QEDQAQQEGVCRIO-UWVGGRQHSA-N 1 0 214.309 0.167 10 0 BCAERO COC(=O)[C@@H](C1CC1)[N@@H+]1CC[C@@H](CCO)C1 ZINC000227840195 134390719 /nfs/dbraw/zinc/39/07/19/134390719.db2.gz ZHONATUABGLCFN-GXSJLCMTSA-N 1 0 227.304 0.642 10 0 BCAERO C[C@@H](NC(=O)C1C[NH2+]C1)C1CCOCC1 ZINC000230051915 134479120 /nfs/dbraw/zinc/47/91/20/134479120.db2.gz BPPMKEWKPZZOBZ-MRVPVSSYSA-N 1 0 212.293 0.137 10 0 BCAERO CCCCS(=O)(=O)N[C@H]1CCC[NH2+][C@@H]1C ZINC000085727640 134517474 /nfs/dbraw/zinc/51/74/74/134517474.db2.gz DPILKTIRDAYLLY-ZJUUUORDSA-N 1 0 234.365 0.846 10 0 BCAERO CO[C@@H](C[NH3+])CC(=O)N[C@@H](C)C(C)C ZINC000232111834 134548502 /nfs/dbraw/zinc/54/85/02/134548502.db2.gz NWVYEGIWZAREMO-DTWKUNHWSA-N 1 0 202.298 0.511 10 0 BCAERO Cc1cccnc1C(=O)N1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000235325452 134592232 /nfs/dbraw/zinc/59/22/32/134592232.db2.gz CWDPHIXRSHZBEC-ZJUUUORDSA-N 1 0 219.288 0.809 10 0 BCAERO C[C@H]1CN(C(=O)Cc2cccnc2)C[C@H]1[NH3+] ZINC000235627411 134596153 /nfs/dbraw/zinc/59/61/53/134596153.db2.gz IISANYJUYADFBN-GXSJLCMTSA-N 1 0 219.288 0.430 10 0 BCAERO C[C@@H](CC[NH3+])Nc1ccnc(N(C)C)n1 ZINC000134273886 134705970 /nfs/dbraw/zinc/70/59/70/134705970.db2.gz ZYZPLLKLXSLHIL-QMMMGPOBSA-N 1 0 209.297 0.692 10 0 BCAERO COc1cc(OC)nc(N[C@H](C)CC[NH3+])n1 ZINC000134268428 134706738 /nfs/dbraw/zinc/70/67/38/134706738.db2.gz AUENOMWYAIRMLB-SSDOTTSWSA-N 1 0 226.280 0.643 10 0 BCAERO CC[C@@H](C)[C@H](NCCC[NH3+])C(=O)OC ZINC000135287078 134740432 /nfs/dbraw/zinc/74/04/32/134740432.db2.gz HFIVFWSZYCRRSP-BDAKNGLRSA-N 1 0 202.298 0.513 10 0 BCAERO Cc1nnc(NC[C@H]([NH3+])C(C)C)nc1C ZINC000158978621 134756999 /nfs/dbraw/zinc/75/69/99/134756999.db2.gz SBGGBKDSYOINNJ-VIFPVBQESA-N 1 0 209.297 0.884 10 0 BCAERO C[C@@H]1OCC[C@@]1(O)C[NH2+]CC1CCOCC1 ZINC000227968880 134985260 /nfs/dbraw/zinc/98/52/60/134985260.db2.gz DIMGKDBYSCFRCF-CMPLNLGQSA-N 1 0 229.320 0.543 10 0 BCAERO COC(=O)[C@@H](C)C[N@@H+]1CCC[C@@H](C(=O)OC)C1 ZINC000229040181 135006814 /nfs/dbraw/zinc/00/68/14/135006814.db2.gz URGHADOJEAZNHZ-VHSXEESVSA-N 1 0 243.303 0.681 10 0 BCAERO CC1(C)C[N@@H+]([C@@H]2CCCC[C@@H]2O)C[C@@H](CO)O1 ZINC000163649795 135028853 /nfs/dbraw/zinc/02/88/53/135028853.db2.gz CMCKSIMNZVZYCP-TUAOUCFPSA-N 1 0 243.347 0.762 10 0 BCAERO CCOC(=O)COCC[NH2+][C@@H]1CCO[C@H]1C ZINC000233681153 135035866 /nfs/dbraw/zinc/03/58/66/135035866.db2.gz ZKDAXAIBCRDCQH-VHSXEESVSA-N 1 0 231.292 0.333 10 0 BCAERO CC(C)OC[C@H](O)C[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000249688608 135043540 /nfs/dbraw/zinc/04/35/40/135043540.db2.gz UYPZZEDKLOIGMM-QJPTWQEYSA-N 1 0 231.336 0.929 10 0 BCAERO CNC(=O)CC[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000250381785 135052250 /nfs/dbraw/zinc/05/22/50/135052250.db2.gz MGJBLRQYHCQJSY-WCQYABFASA-N 1 0 240.347 0.750 10 0 BCAERO COC[C@@H]1CC[N@H+](C[C@H](C)C(=O)OC)C1 ZINC000251059593 135062080 /nfs/dbraw/zinc/06/20/80/135062080.db2.gz CEBYJICOETYOBX-VHSXEESVSA-N 1 0 215.293 0.764 10 0 BCAERO CC[C@H](C(N)=O)N1C[C@H]([NH+](C)C)[C@@H](C)C1 ZINC000251211674 135066005 /nfs/dbraw/zinc/06/60/05/135066005.db2.gz KEMFMNAFWQIBOQ-AEJSXWLSSA-N 1 0 213.325 0.132 10 0 BCAERO C[C@H](CCCO)NC(=O)[C@H]1CCC[C@H]1[NH3+] ZINC000251247040 135067514 /nfs/dbraw/zinc/06/75/14/135067514.db2.gz TYSZPAQNUZGYIJ-KXUCPTDWSA-N 1 0 214.309 0.391 10 0 BCAERO COC(=O)[C@H](C)N1C[C@H](C)[C@H]([NH+](C)C)C1 ZINC000251687304 135074572 /nfs/dbraw/zinc/07/45/72/135074572.db2.gz ICUDTZPKIDJENO-LPEHRKFASA-N 1 0 214.309 0.430 10 0 BCAERO C[C@H](O)CC[N@@H+]1C[C@H](C)[C@H](N(C)C)C1 ZINC000251742520 135076118 /nfs/dbraw/zinc/07/61/18/135076118.db2.gz KXTBJROIBZLLOH-GARJFASQSA-N 1 0 200.326 0.639 10 0 BCAERO C[C@@H]1C[C@@H]([NH2+]CC(=O)N(C)C)C[C@H](C)O1 ZINC000238850429 135078455 /nfs/dbraw/zinc/07/84/55/135078455.db2.gz BNIKGKYJRIIGJX-ILWJIGKKSA-N 1 0 214.309 0.620 10 0 BCAERO COC[C@H]([NH3+])C(=O)N[C@@H]1CCC[C@H](C)C1 ZINC000251845763 135079260 /nfs/dbraw/zinc/07/92/60/135079260.db2.gz OOGMSBZLTDQAQF-AEJSXWLSSA-N 1 0 214.309 0.655 10 0 BCAERO CCOCCN1CC[N@H+](C[C@@H](O)CC)C[C@@H]1C ZINC000252353540 135088030 /nfs/dbraw/zinc/08/80/30/135088030.db2.gz ZRXUNUJPMOOXFL-STQMWFEESA-N 1 0 244.379 0.800 10 0 BCAERO C[C@@H](NC(=O)C[C@H](C)[NH3+])[C@H]1CCCO1 ZINC000252433000 135089175 /nfs/dbraw/zinc/08/91/75/135089175.db2.gz DCLQYKXGXZOPJF-DJLDLDEBSA-N 1 0 200.282 0.407 10 0 BCAERO Cc1c(CN2C[C@H](C)[NH2+]C[C@@H]2C)cnn1C ZINC000086552444 135089414 /nfs/dbraw/zinc/08/94/14/135089414.db2.gz HBHRECCSBKCVFP-UWVGGRQHSA-N 1 0 222.336 0.911 10 0 BCAERO Cc1c(C[NH2+][C@@H]2CCCNC2=O)cnn1C ZINC000086552050 135089523 /nfs/dbraw/zinc/08/95/23/135089523.db2.gz LPJQIJBUJFYFAH-SNVBAGLBSA-N 1 0 222.292 0.097 10 0 BCAERO COC(=O)[C@H](C)C[NH2+][C@H](C)[C@H]1CCCO1 ZINC000252447338 135089899 /nfs/dbraw/zinc/08/98/99/135089899.db2.gz JBYWRPKATLKSAU-OPRDCNLKSA-N 1 0 215.293 0.953 10 0 BCAERO CO[C@@H](C)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000249819582 135090482 /nfs/dbraw/zinc/09/04/82/135090482.db2.gz FKJLVFXZOHZTQV-UWVGGRQHSA-N 1 0 212.293 0.328 10 0 BCAERO CSC[C@H](O)CN1CC[N@@H+]2CCCC[C@H]2C1 ZINC000249459636 135090525 /nfs/dbraw/zinc/09/05/25/135090525.db2.gz ONTSTRUCJPQCRK-NWDGAFQWSA-N 1 0 244.404 0.880 10 0 BCAERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)N1CCCOCC1 ZINC000087122883 135107020 /nfs/dbraw/zinc/10/70/20/135107020.db2.gz WXRGRPPKUBMMNA-WDEREUQCSA-N 1 0 226.320 0.623 10 0 BCAERO C[C@H]([NH3+])CN1CCC[C@@H]1c1cnn(C)c1 ZINC000261535708 135109088 /nfs/dbraw/zinc/10/90/88/135109088.db2.gz PCTBBXNRDQHOTE-GXSJLCMTSA-N 1 0 208.309 0.904 10 0 BCAERO O[C@@H]1CC[C@@H]2C[N@@H+]([C@@H]3CCCC[C@@H]3O)C[C@H]12 ZINC000252873266 135114791 /nfs/dbraw/zinc/11/47/91/135114791.db2.gz PJRHDKCLTDEGSR-MLGHIDQZSA-N 1 0 225.332 0.993 10 0 BCAERO COC(=O)[C@](C)(O)C[N@H+](C)[C@H]1CCCC[C@H]1O ZINC000252916335 135116712 /nfs/dbraw/zinc/11/67/12/135116712.db2.gz BEFQWVLXXIQDOV-HOSYDEDBSA-N 1 0 245.319 0.146 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)NC[C@H](CC)CCO ZINC000087369914 135126477 /nfs/dbraw/zinc/12/64/77/135126477.db2.gz DDEVGDARSFSWHV-NXEZZACHSA-N 1 0 216.325 0.639 10 0 BCAERO CCC[C@H]([NH3+])C(=O)NC[C@H](CC)CCO ZINC000087369911 135126608 /nfs/dbraw/zinc/12/66/08/135126608.db2.gz DDEVGDARSFSWHV-ZJUUUORDSA-N 1 0 216.325 0.639 10 0 BCAERO O=C(NC[C@@H]1CCCCS1)NC1C[NH2+]C1 ZINC000258377868 135132130 /nfs/dbraw/zinc/13/21/30/135132130.db2.gz HDVSYWBRMOPURR-VIFPVBQESA-N 1 0 229.349 0.543 10 0 BCAERO O=C(NC1C[NH2+]C1)N[C@@H]1CCCSC1 ZINC000258521718 135133036 /nfs/dbraw/zinc/13/30/36/135133036.db2.gz NDNGGHDNUPZOHG-SSDOTTSWSA-N 1 0 215.322 0.153 10 0 BCAERO Cc1cccc(N2CCN([C@H]3CC[NH2+]C3)CC2)n1 ZINC000257691950 135139431 /nfs/dbraw/zinc/13/94/31/135139431.db2.gz JHPMKZUAISYUBP-ZDUSSCGKSA-N 1 0 246.358 0.874 10 0 BCAERO C[C@H]1C(=O)NCCCN1C[C@H]1CCC[NH2+]C1 ZINC000257769648 135141693 /nfs/dbraw/zinc/14/16/93/135141693.db2.gz BSBIAULVXDYXNV-QWRGUYRKSA-N 1 0 225.336 0.196 10 0 BCAERO C[C@@H]1C(=O)NCCCN1C[C@H]1CCC[NH2+]C1 ZINC000257769646 135141736 /nfs/dbraw/zinc/14/17/36/135141736.db2.gz BSBIAULVXDYXNV-MNOVXSKESA-N 1 0 225.336 0.196 10 0 BCAERO Cc1ccc(S(=O)(=O)NC[C@@H]2CC[NH2+]C2)o1 ZINC000259271981 135142474 /nfs/dbraw/zinc/14/24/74/135142474.db2.gz URNYLYPBXGIAEN-SECBINFHSA-N 1 0 244.316 0.476 10 0 BCAERO CC1(C)C[N@H+](C[C@H]2CCC[NH2+]C2)C[C@H]1O ZINC000261545441 135147998 /nfs/dbraw/zinc/14/79/98/135147998.db2.gz JZOBFWKSMRUWJX-WDEREUQCSA-N 1 0 212.337 0.689 10 0 BCAERO CC[C@H](NC(=O)C[C@@H]1COCC[NH2+]1)C(C)C ZINC000087509259 135150116 /nfs/dbraw/zinc/15/01/16/135150116.db2.gz XLNDCOKHRAJAAX-MNOVXSKESA-N 1 0 228.336 0.916 10 0 BCAERO CCO[C@H](C)C(=O)NC[C@H]1CC[NH2+]C1 ZINC000261528702 135154559 /nfs/dbraw/zinc/15/45/59/135154559.db2.gz UEMTVZWDQQUWCM-BDAKNGLRSA-N 1 0 200.282 0.137 10 0 BCAERO C[NH2+][C@@H](C)CNC(=O)c1ncccc1O ZINC000261529426 135156010 /nfs/dbraw/zinc/15/60/10/135156010.db2.gz ARYWFPYYOMWUPJ-ZETCQYMHSA-N 1 0 209.249 0.125 10 0 BCAERO C[C@@H]1CN(C(=O)[C@@H]2CCCS2)C[C@H]1[NH3+] ZINC000261530414 135157353 /nfs/dbraw/zinc/15/73/53/135157353.db2.gz ZQRVUESYVBSNJH-HLTSFMKQSA-N 1 0 214.334 0.688 10 0 BCAERO [NH3+]C[C@H]1CCCCN1Cc1csnn1 ZINC000261530147 135157375 /nfs/dbraw/zinc/15/73/75/135157375.db2.gz XKQKXUATQAEVNO-SECBINFHSA-N 1 0 212.322 0.851 10 0 BCAERO Cc1cnc(C)c(N2C[C@@H](C)[C@H]([NH3+])C2)n1 ZINC000261530125 135157461 /nfs/dbraw/zinc/15/74/61/135157461.db2.gz CAYIHSCIYVTUKG-GMSGAONNSA-N 1 0 206.293 0.877 10 0 BCAERO CCOC(=O)CN1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261530121 135157748 /nfs/dbraw/zinc/15/77/48/135157748.db2.gz BZVSQTKIIMLLHC-VIFPVBQESA-N 1 0 214.309 0.609 10 0 BCAERO C[NH2+][C@@H](C)CNC(=O)CCCSC ZINC000261530450 135158095 /nfs/dbraw/zinc/15/80/95/135158095.db2.gz ZXZVKSNRYUFSDV-QMMMGPOBSA-N 1 0 204.339 0.854 10 0 BCAERO C[NH2+][C@@H](C)CNC(=O)c1cnc(C)cn1 ZINC000261530804 135158917 /nfs/dbraw/zinc/15/89/17/135158917.db2.gz DDQBDAXEICNQOJ-ZETCQYMHSA-N 1 0 208.265 0.123 10 0 BCAERO C[C@H]1[C@H]([NH3+])CCN1C(=O)C(F)(F)C(F)F ZINC000261531201 135160347 /nfs/dbraw/zinc/16/03/47/135160347.db2.gz FPVGMUGYXKRMTF-CRCLSJGQSA-N 1 0 228.189 0.835 10 0 BCAERO O=C(C[C@@H]1CCCCO1)NC[C@H]1CC[NH2+]C1 ZINC000087654933 135162017 /nfs/dbraw/zinc/16/20/17/135162017.db2.gz JKIROJYJELBBPG-QWRGUYRKSA-N 1 0 226.320 0.671 10 0 BCAERO Cc1occc1C(=O)NC[C@@H]1CC[NH2+]C1 ZINC000087654769 135162027 /nfs/dbraw/zinc/16/20/27/135162027.db2.gz CJJDYFNHULQHGW-SECBINFHSA-N 1 0 208.261 0.927 10 0 BCAERO Cc1noc(C)c1C(=O)NC[C@@H]1CC[NH2+]C1 ZINC000087655019 135162106 /nfs/dbraw/zinc/16/21/06/135162106.db2.gz NUOAYQUKVJSJNS-SECBINFHSA-N 1 0 223.276 0.631 10 0 BCAERO C[C@@H]1[C@@H]([NH3+])CCN1S(=O)(=O)c1cccs1 ZINC000261532161 135162388 /nfs/dbraw/zinc/16/23/88/135162388.db2.gz JLKPWNVPFRLLBP-SFYZADRCSA-N 1 0 246.357 0.858 10 0 BCAERO C[C@H](C(=O)/N=c1/sccn1C)C1C[NH2+]C1 ZINC000261532897 135163879 /nfs/dbraw/zinc/16/38/79/135163879.db2.gz AOYHQEFCFMBDMC-RMOXJXDMSA-N 1 0 225.317 0.369 10 0 BCAERO COC(=O)[C@H](C)N(C)C[C@H]1CCC[NH2+]C1 ZINC000261533794 135166066 /nfs/dbraw/zinc/16/60/66/135166066.db2.gz LEUBHRBWBJYHKB-UWVGGRQHSA-N 1 0 214.309 0.479 10 0 BCAERO CC1(C)CN(S(=O)(=O)C2CC2)CC[C@@H]1[NH3+] ZINC000261534232 135167059 /nfs/dbraw/zinc/16/70/59/135167059.db2.gz LXDZEUAEFONVRN-VIFPVBQESA-N 1 0 232.349 0.538 10 0 BCAERO O=C(CC[C@H]1CCC[NH2+]1)Nc1cn[nH]c1 ZINC000261535541 135169914 /nfs/dbraw/zinc/16/99/14/135169914.db2.gz OMXIXHXBICIXGK-MRVPVSSYSA-N 1 0 208.265 0.880 10 0 BCAERO CN(C(=O)C1CC(F)(F)C1)C1C[NH2+]C1 ZINC000261537076 135172821 /nfs/dbraw/zinc/17/28/21/135172821.db2.gz UTYLAXIROPLUDK-UHFFFAOYSA-N 1 0 204.220 0.462 10 0 BCAERO Cc1nc([C@@H](C)NC(=O)[C@H](C)[NH3+])cs1 ZINC000261537028 135172902 /nfs/dbraw/zinc/17/29/02/135172902.db2.gz UPNMJAYISJXZQZ-NTSWFWBYSA-N 1 0 213.306 0.976 10 0 BCAERO COC[C@H]([NH3+])C(=O)N(C(C)C)C1CC1 ZINC000261537456 135173906 /nfs/dbraw/zinc/17/39/06/135173906.db2.gz VPTSWHSYUWZVMD-VIFPVBQESA-N 1 0 200.282 0.360 10 0 BCAERO C[C@H]1CN(S(=O)(=O)CCC2CC2)C[C@H]1[NH3+] ZINC000261537862 135175046 /nfs/dbraw/zinc/17/50/46/135175046.db2.gz WMKDSMVQXHPRQI-WCBMZHEXSA-N 1 0 232.349 0.395 10 0 BCAERO COC[C@@H](C)C(=O)NCC1([NH3+])CCC1 ZINC000261538942 135176828 /nfs/dbraw/zinc/17/68/28/135176828.db2.gz ZXWREOYSBQZSLJ-MRVPVSSYSA-N 1 0 200.282 0.267 10 0 BCAERO O=C(N[C@H]1CCC[NH2+]C1)[C@@H]1C[C@H]1C1CC1 ZINC000261540018 135178649 /nfs/dbraw/zinc/17/86/49/135178649.db2.gz DOCMQHJPJKHPGO-GARJFASQSA-N 1 0 208.305 0.901 10 0 BCAERO CC[NH2+][C@H](C)CNC(=O)[C@H]1C[C@@H]1OCC ZINC000261539847 135178669 /nfs/dbraw/zinc/17/86/69/135178669.db2.gz DFQKQJZLPNUELV-UTLUCORTSA-N 1 0 214.309 0.526 10 0 BCAERO O=C(NC1CC[NH2+]CC1)[C@H]1C[C@@H]1C1CC1 ZINC000261539978 135178899 /nfs/dbraw/zinc/17/88/99/135178899.db2.gz DJVBMBIDUFDZLE-MNOVXSKESA-N 1 0 208.305 0.901 10 0 BCAERO C[C@@]1(CNC(=O)[C@H]2CC[NH2+]C2)CCOC1 ZINC000261540826 135180074 /nfs/dbraw/zinc/18/00/74/135180074.db2.gz FIAFXJMFXCMWJY-ONGXEEELSA-N 1 0 212.293 0.139 10 0 BCAERO C[C@]1(C[NH3+])CCN(c2ccnc(C(N)=O)c2)C1 ZINC000261541505 135180927 /nfs/dbraw/zinc/18/09/27/135180927.db2.gz BFFGBQSWDUUTII-GFCCVEGCSA-N 1 0 234.303 0.356 10 0 BCAERO Cc1cc(C(=O)N[C@@H]2CCC[NH2+][C@H]2C)nn1C ZINC000261542824 135182954 /nfs/dbraw/zinc/18/29/54/135182954.db2.gz QJKURWAJEPHCLA-VHSXEESVSA-N 1 0 236.319 0.599 10 0 BCAERO C[C@H]1CN(CC(=O)NC2CCCCC2)C[C@H]1[NH3+] ZINC000261542509 135183077 /nfs/dbraw/zinc/18/30/77/135183077.db2.gz OYVUNRLLFAEQAM-CMPLNLGQSA-N 1 0 239.363 0.714 10 0 BCAERO CCCN(CCC)C(=O)CN1C[C@H](C)[C@H]([NH3+])C1 ZINC000261543246 135184258 /nfs/dbraw/zinc/18/42/58/135184258.db2.gz RZZDWRYJXURHRI-NWDGAFQWSA-N 1 0 241.379 0.914 10 0 BCAERO CCCC[C@@H](COC)NC(=O)C1C[NH2+]C1 ZINC000261548390 135186518 /nfs/dbraw/zinc/18/65/18/135186518.db2.gz NQQIOYYRPAXDHO-JTQLQIEISA-N 1 0 214.309 0.527 10 0 BCAERO C[C@H]1CCN(c2ccnc(C(N)=O)c2)[C@H](C[NH3+])C1 ZINC000261550177 135189407 /nfs/dbraw/zinc/18/94/07/135189407.db2.gz MJJYLHUHYWAVGI-ONGXEEELSA-N 1 0 248.330 0.744 10 0 BCAERO CC(C)NC(=O)CNC(=O)CC[C@H]1CCC[NH2+]1 ZINC000261550993 135190077 /nfs/dbraw/zinc/19/00/77/135190077.db2.gz LRZBLKFIOBYAOM-SNVBAGLBSA-N 1 0 241.335 0.159 10 0 BCAERO OC[C@@]1(F)CCN(C[C@H]2CCC[NH2+]C2)C1 ZINC000261551119 135190083 /nfs/dbraw/zinc/19/00/83/135190083.db2.gz QCWMXJSFCDXVQP-WDEREUQCSA-N 1 0 216.300 0.392 10 0 BCAERO C[NH2+]CC(=O)NC[C@@H](O)c1ccc(Cl)s1 ZINC000261552717 135192076 /nfs/dbraw/zinc/19/20/76/135192076.db2.gz RSCYQLVRVXIXJC-ZCFIWIBFSA-N 1 0 248.735 0.771 10 0 BCAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)[C@@H]1Cc2ccccc2O1 ZINC000261553652 135192669 /nfs/dbraw/zinc/19/26/69/135192669.db2.gz AKIWYCVEMUSBDE-CDMKHQONSA-N 1 0 246.310 0.938 10 0 BCAERO C[C@]1(C(=O)NC[C@H]2CCC[C@@H]2O)CC[NH2+]C1 ZINC000084238968 135194197 /nfs/dbraw/zinc/19/41/97/135194197.db2.gz SAEXHHYUQHZFTG-SCVCMEIPSA-N 1 0 226.320 0.263 10 0 BCAERO O=C(C[NH2+]CC1CC1)NC[C@H]1CCC[C@@H]1O ZINC000084239025 135194266 /nfs/dbraw/zinc/19/42/66/135194266.db2.gz GGGYWFGIWLLCGE-MNOVXSKESA-N 1 0 226.320 0.263 10 0 BCAERO CCc1nnc(N2CC[C@H]([NH3+])[C@H]2C)nc1CC ZINC000261554920 135194505 /nfs/dbraw/zinc/19/45/05/135194505.db2.gz PKODXLHWQQZDFL-BDAKNGLRSA-N 1 0 235.335 0.922 10 0 BCAERO CN(C(=O)CN1CC[C@@H]2C[NH2+]C[C@@H]2C1)C1CC1 ZINC000261556181 135196036 /nfs/dbraw/zinc/19/60/36/135196036.db2.gz QMWVJOPVSYFGAH-GHMZBOCLSA-N 1 0 237.347 0.149 10 0 BCAERO Cc1nc(CNC(=O)C2C[NH2+]C2)sc1C ZINC000261556759 135196792 /nfs/dbraw/zinc/19/67/92/135196792.db2.gz WGSZFTIXQWOGSK-UHFFFAOYSA-N 1 0 225.317 0.596 10 0 BCAERO OC[C@@H]1C[C@H](F)CN1C[C@H]1CCC[NH2+]C1 ZINC000261556562 135196916 /nfs/dbraw/zinc/19/69/16/135196916.db2.gz WCGJPBDKLJHWPE-DCAQKATOSA-N 1 0 216.300 0.391 10 0 BCAERO Cc1csc(CNC[C@H]2C[NH2+]C[C@H]2O)n1 ZINC000261557332 135198076 /nfs/dbraw/zinc/19/80/76/135198076.db2.gz XFBBZGCSOKDYRA-RKDXNWHRSA-N 1 0 227.333 0.121 10 0 BCAERO C[C@H](C[C@H]1CCCO1)NC(=O)C1C[NH2+]C1 ZINC000261558928 135199401 /nfs/dbraw/zinc/19/94/01/135199401.db2.gz YQOTZNLLJGJRKT-PSASIEDQSA-N 1 0 212.293 0.280 10 0 BCAERO CCCc1nc([C@@H]2C[NH2+]CCN2C)no1 ZINC000261559716 135200137 /nfs/dbraw/zinc/20/01/37/135200137.db2.gz ZGPZKYRCSHMNSW-QMMMGPOBSA-N 1 0 210.281 0.598 10 0 BCAERO COC[C@]1(CNc2nccnc2C)CCC[NH2+]1 ZINC000261559753 135200185 /nfs/dbraw/zinc/20/01/85/135200185.db2.gz UAHUOGGBZCAXAO-GFCCVEGCSA-N 1 0 236.319 0.966 10 0 BCAERO C[NH2+][C@@H](C)CNC(=O)c1ccc2nccnc2c1 ZINC000261560248 135201006 /nfs/dbraw/zinc/20/10/06/135201006.db2.gz FCNMRYMQUXCFDI-VIFPVBQESA-N 1 0 244.298 0.968 10 0 BCAERO COC[C@H](C)C(=O)N1CC[NH2+][C@@H](C)[C@H]1C ZINC000261560128 135201142 /nfs/dbraw/zinc/20/11/42/135201142.db2.gz ZRJQFBIPUXORJX-LPEHRKFASA-N 1 0 214.309 0.478 10 0 BCAERO C[C@H]([NH3+])CC(=O)N1CCC[C@@H]1c1cnn(C)c1 ZINC000261560448 135201349 /nfs/dbraw/zinc/20/13/49/135201349.db2.gz UPVRKDBBOYXQJE-GXSJLCMTSA-N 1 0 236.319 0.821 10 0 BCAERO COC[C@H](C)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000261560353 135201398 /nfs/dbraw/zinc/20/13/98/135201398.db2.gz ZTTKNZBZTMTHDC-IVZWLZJFSA-N 1 0 214.309 0.655 10 0 BCAERO CC(C)CNC(=O)CN1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261560758 135201917 /nfs/dbraw/zinc/20/19/17/135201917.db2.gz UUUGAFZTGKZAJM-RYUDHWBXSA-N 1 0 239.363 0.300 10 0 BCAERO COC[C@H]([NH3+])C(=O)NCc1sc(C)nc1C ZINC000261560622 135202177 /nfs/dbraw/zinc/20/21/77/135202177.db2.gz ADQNDMHXPCSEST-QMMMGPOBSA-N 1 0 243.332 0.350 10 0 BCAERO CO[C@@H]1[C@H](C)[C@H](NC(=O)[C@H](C)[NH3+])C1(C)C ZINC000261561504 135202583 /nfs/dbraw/zinc/20/25/83/135202583.db2.gz AQDAAXVGQYGTDT-RYPBNFRJSA-N 1 0 214.309 0.509 10 0 BCAERO [NH3+]C1CCN(C(=O)[C@@H]2C[C@H]2C2CC2)CC1 ZINC000261562360 135203716 /nfs/dbraw/zinc/20/37/16/135203716.db2.gz BFXYLCUEHNJHDK-WDEREUQCSA-N 1 0 208.305 0.982 10 0 BCAERO Cc1cc(N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)ncn1 ZINC000261562540 135204633 /nfs/dbraw/zinc/20/46/33/135204633.db2.gz BIZQTWSKDHPYCR-HBNTYKKESA-N 1 0 218.304 0.959 10 0 BCAERO [NH3+][C@@H]1CC[C@H]2CN(C(=O)[C@H]3CCCO3)C[C@H]12 ZINC000261564453 135205708 /nfs/dbraw/zinc/20/57/08/135205708.db2.gz COODKYLNEMJVAR-UKKRHICBSA-N 1 0 224.304 0.361 10 0 BCAERO Cc1nccc(N2CC[C@H]3[NH2+]CC[C@H]3C2)n1 ZINC000261564180 135205748 /nfs/dbraw/zinc/20/57/48/135205748.db2.gz CIWINPDUORGCJQ-WDEREUQCSA-N 1 0 218.304 0.973 10 0 BCAERO O=C(CC[C@@H]1CCC[NH2+]1)N1CCn2ccnc2C1 ZINC000261563892 135206228 /nfs/dbraw/zinc/20/62/28/135206228.db2.gz GZXRCODJLIFWJZ-NSHDSACASA-N 1 0 248.330 0.758 10 0 BCAERO COC[C@]1(CNc2ncccn2)CCC[NH2+]1 ZINC000261564403 135206371 /nfs/dbraw/zinc/20/63/71/135206371.db2.gz CMGDVEPZQAYFHY-LLVKDONJSA-N 1 0 222.292 0.657 10 0 BCAERO COCCNC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000084308553 135207117 /nfs/dbraw/zinc/20/71/17/135207117.db2.gz BVNZFTJAPKPRAX-RKDXNWHRSA-N 1 0 200.282 0.124 10 0 BCAERO C[C@H](C[NH3+])C(=O)N1CCC[C@@H]1c1cnn(C)c1 ZINC000261565052 135207167 /nfs/dbraw/zinc/20/71/67/135207167.db2.gz YCKKXUMUBZFRMC-MWLCHTKSSA-N 1 0 236.319 0.678 10 0 BCAERO C[C@@H]1CN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])CCO1 ZINC000084308697 135207199 /nfs/dbraw/zinc/20/71/99/135207199.db2.gz UJZZOFBMTMIOHY-GMTAPVOTSA-N 1 0 226.320 0.609 10 0 BCAERO C[C@@H](C(=O)Nc1ccccc1C(N)=O)C1C[NH2+]C1 ZINC000163851317 135207411 /nfs/dbraw/zinc/20/74/11/135207411.db2.gz OUDNFYPBFZHETQ-MRVPVSSYSA-N 1 0 247.298 0.580 10 0 BCAERO O=C(CC[C@H]1CCC[NH2+]1)NC[C@@H]1CCCO1 ZINC000261566029 135208161 /nfs/dbraw/zinc/20/81/61/135208161.db2.gz DGCRIYZJOBQXQD-MNOVXSKESA-N 1 0 226.320 0.814 10 0 BCAERO C[C@H]1CN(S(=O)(=O)c2ccco2)C[C@H]1[NH3+] ZINC000261566873 135208769 /nfs/dbraw/zinc/20/87/69/135208769.db2.gz DRKBWWGWQLXZHS-JGVFFNPUSA-N 1 0 230.289 0.247 10 0 BCAERO CO[C@H](C)C(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000163820955 135209030 /nfs/dbraw/zinc/20/90/30/135209030.db2.gz GIKTUNFQLJXZKY-DJLDLDEBSA-N 1 0 200.282 0.278 10 0 BCAERO COC(=O)[C@H](C)NC(=O)C[C@@H]1CCCC[C@H]1[NH3+] ZINC000261567644 135209163 /nfs/dbraw/zinc/20/91/63/135209163.db2.gz ZZGRBUJVDDNOGT-LPEHRKFASA-N 1 0 242.319 0.572 10 0 BCAERO C[C@@]1(NC(=O)CC[C@H]2CCC[NH2+]2)CCOC1 ZINC000261567329 135209230 /nfs/dbraw/zinc/20/92/30/135209230.db2.gz DWCZUDOJXMZQIO-ZYHUDNBSSA-N 1 0 226.320 0.814 10 0 BCAERO C[C@H](C(=O)NC[C@@H](O)c1ccccc1)C1C[NH2+]C1 ZINC000163878995 135209524 /nfs/dbraw/zinc/20/95/24/135209524.db2.gz HRYFHHQBEKLZNQ-GXFFZTMASA-N 1 0 248.326 0.692 10 0 BCAERO COc1ccnc(N2CC[C@@H](C)[C@@H](C[NH3+])C2)n1 ZINC000163972081 135209931 /nfs/dbraw/zinc/20/99/31/135209931.db2.gz BXOMKVVUFHHWSI-ZJUUUORDSA-N 1 0 236.319 0.906 10 0 BCAERO Cc1nnc(N2CC[C@H](C)[C@H](C[NH3+])C2)nc1C ZINC000163929085 135210728 /nfs/dbraw/zinc/21/07/28/135210728.db2.gz ZSKMTBBKHYJJOY-GZMMTYOYSA-N 1 0 235.335 0.910 10 0 BCAERO O=C(CC[C@@H]1CCC[NH2+]1)N[C@H]1CCCOC1 ZINC000261571236 135212715 /nfs/dbraw/zinc/21/27/15/135212715.db2.gz HJFAFMCEOFEATR-QWRGUYRKSA-N 1 0 226.320 0.814 10 0 BCAERO Cc1nccc(N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)n1 ZINC000261571747 135213693 /nfs/dbraw/zinc/21/36/93/135213693.db2.gz HUTAGUYJDSHVNS-DCAQKATOSA-N 1 0 218.304 0.959 10 0 BCAERO O=S(=O)(CCC1CCC1)NC[C@H]1CC[NH2+]C1 ZINC000261572416 135214505 /nfs/dbraw/zinc/21/45/05/135214505.db2.gz IDHMOHUCKNJTGW-NSHDSACASA-N 1 0 246.376 0.706 10 0 BCAERO Cn1ccnc1CN1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261573363 135214634 /nfs/dbraw/zinc/21/46/34/135214634.db2.gz IRWWEWJGNOEXGA-DCAQKATOSA-N 1 0 220.320 0.589 10 0 BCAERO CO[C@@H]1CCCC[C@@H]1NC(=O)[C@H](C)C[NH3+] ZINC000261572828 135215264 /nfs/dbraw/zinc/21/52/64/135215264.db2.gz IIYFNYHVCKREIR-KXUCPTDWSA-N 1 0 214.309 0.655 10 0 BCAERO Cc1ccnc(N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)n1 ZINC000261576018 135217387 /nfs/dbraw/zinc/21/73/87/135217387.db2.gz KAXGODSAXMEJEU-HBNTYKKESA-N 1 0 218.304 0.959 10 0 BCAERO Cc1nc([C@H]2CCCN2C[C@H](C)[NH3+])no1 ZINC000261582038 135222393 /nfs/dbraw/zinc/22/23/93/135222393.db2.gz NZVHRZJQAHKLNN-IONNQARKSA-N 1 0 210.281 0.862 10 0 BCAERO Cc1cnc(N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)nc1 ZINC000261582762 135223150 /nfs/dbraw/zinc/22/31/50/135223150.db2.gz OQONBVKSSHMVRJ-DCAQKATOSA-N 1 0 218.304 0.959 10 0 BCAERO [NH3+]C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2C2CC2)C1 ZINC000261583030 135224491 /nfs/dbraw/zinc/22/44/91/135224491.db2.gz OUHYXQGTDFYHFJ-INTQDDNPSA-N 1 0 208.305 0.840 10 0 BCAERO C[C@H]([NH3+])CN1CCC[C@](O)(C(F)(F)F)C1 ZINC000261583377 135224596 /nfs/dbraw/zinc/22/45/96/135224596.db2.gz OYRODCHDQZRWJD-JGVFFNPUSA-N 1 0 226.242 0.723 10 0 BCAERO C[C@H]1CN(S(=O)(=O)CCC2CCC2)C[C@@H]1[NH3+] ZINC000261588839 135229356 /nfs/dbraw/zinc/22/93/56/135229356.db2.gz SPWLNNKZZVXRLW-ONGXEEELSA-N 1 0 246.376 0.785 10 0 BCAERO Cc1ccnc(N2CC[C@H]3[NH2+]CC[C@@H]3C2)n1 ZINC000261591147 135232174 /nfs/dbraw/zinc/23/21/74/135232174.db2.gz VCJBCOWHXCLFNK-GHMZBOCLSA-N 1 0 218.304 0.973 10 0 BCAERO Cc1c[nH]cc1C(=O)N1CCC[C@H]([NH3+])C1 ZINC000261592408 135232854 /nfs/dbraw/zinc/23/28/54/135232854.db2.gz VVDROJZUZXPQBH-VIFPVBQESA-N 1 0 207.277 0.886 10 0 BCAERO [NH3+][C@@H]1CC[C@H]2CN(Cc3cocn3)C[C@H]12 ZINC000261592817 135233684 /nfs/dbraw/zinc/23/36/84/135233684.db2.gz WDWOIMVYPQWKNL-INTQDDNPSA-N 1 0 207.277 0.844 10 0 BCAERO CO[C@H](C[NH3+])C(=O)NCc1sc(C)nc1C ZINC000261599681 135237363 /nfs/dbraw/zinc/23/73/63/135237363.db2.gz ZWUJWQHJJYFSLA-MRVPVSSYSA-N 1 0 243.332 0.350 10 0 BCAERO Cc1ncoc1C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261546254 135238840 /nfs/dbraw/zinc/23/88/40/135238840.db2.gz GTRIUNUMWYLWHL-IVZWLZJFSA-N 1 0 235.287 0.792 10 0 BCAERO CCc1nc(CN2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)no1 ZINC000261547303 135240133 /nfs/dbraw/zinc/24/01/33/135240133.db2.gz HYCOWMODLSXIJA-GUBZILKMSA-N 1 0 236.319 0.801 10 0 BCAERO CCC[C@H](C)CS(=O)(=O)NC[C@H](C)[NH2+]C ZINC000261547793 135241058 /nfs/dbraw/zinc/24/10/58/135241058.db2.gz MTGYCHKJDZMGDF-UWVGGRQHSA-N 1 0 236.381 0.950 10 0 BCAERO CCc1nc(CCNC(=O)[C@H]2CCC[NH2+]2)no1 ZINC000261624534 135244320 /nfs/dbraw/zinc/24/43/20/135244320.db2.gz DQSXYMIAFDIJCJ-MRVPVSSYSA-N 1 0 238.291 0.043 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@H]1NS(=O)(=O)c1ccco1 ZINC000261620481 135244497 /nfs/dbraw/zinc/24/44/97/135244497.db2.gz BXROSHSIVKHKAJ-DTWKUNHWSA-N 1 0 244.316 0.685 10 0 BCAERO CCN(C[C@@H]1CCCO1)C(=O)C1C[NH2+]C1 ZINC000084411137 135246564 /nfs/dbraw/zinc/24/65/64/135246564.db2.gz VGPWQMDSQGHEJF-JTQLQIEISA-N 1 0 212.293 0.233 10 0 BCAERO CN(CCc1ccncc1)C(=O)C1C[NH2+]C1 ZINC000084409704 135246960 /nfs/dbraw/zinc/24/69/60/135246960.db2.gz FXNCWRZZPTUILC-UHFFFAOYSA-N 1 0 219.288 0.302 10 0 BCAERO O=C(C1C[NH2+]C1)N1CCc2ccccc2C1 ZINC000084408234 135247119 /nfs/dbraw/zinc/24/71/19/135247119.db2.gz XRQUPKUYZMXQGA-UHFFFAOYSA-N 1 0 216.284 0.791 10 0 BCAERO Cc1ccccc1CNC(=O)C1C[NH2+]C1 ZINC000084409691 135247235 /nfs/dbraw/zinc/24/72/35/135247235.db2.gz RJJITBWSCDSTGB-UHFFFAOYSA-N 1 0 204.273 0.831 10 0 BCAERO CCN(C)S(=O)(=O)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261709603 135247810 /nfs/dbraw/zinc/24/78/10/135247810.db2.gz IOLCYBQIIHQMFZ-VIFPVBQESA-N 1 0 249.380 0.242 10 0 BCAERO C[C@@H](NC(=O)C1C[NH2+]C1)c1cccnc1 ZINC000084408870 135247927 /nfs/dbraw/zinc/24/79/27/135247927.db2.gz CVWAKJFZDLTZRH-MRVPVSSYSA-N 1 0 205.261 0.478 10 0 BCAERO CCCN(CC)C(=O)[C@H]([NH3+])C1CCOCC1 ZINC000261728883 135248287 /nfs/dbraw/zinc/24/82/87/135248287.db2.gz JTQMYUOAHHIJPT-LLVKDONJSA-N 1 0 228.336 0.999 10 0 BCAERO CC[C@@H](NC(=O)C1C[NH2+]C1)c1nccs1 ZINC000084412559 135248335 /nfs/dbraw/zinc/24/83/35/135248335.db2.gz WCHUDLHSCVTXNS-MRVPVSSYSA-N 1 0 225.317 0.930 10 0 BCAERO C[C@@H](CO)[N@@H+]1CCCN(CC(C)(C)[NH3+])CC1 ZINC000261747459 135249921 /nfs/dbraw/zinc/24/99/21/135249921.db2.gz BXBKUCDDRRBTNY-NSHDSACASA-N 1 0 229.368 0.112 10 0 BCAERO Cn1ccs/c1=N\C(=O)CC[C@H]1CC[NH2+]C1 ZINC000261776590 135251411 /nfs/dbraw/zinc/25/14/11/135251411.db2.gz AJQPYQVSKLWASG-ZWVWWYOOSA-N 1 0 239.344 0.904 10 0 BCAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)N[C@H]1CCCOC1 ZINC000261766829 135251972 /nfs/dbraw/zinc/25/19/72/135251972.db2.gz OAVFCYJZJDWYQP-OUAUKWLOSA-N 1 0 226.320 0.657 10 0 BCAERO C[C@@H]1[C@@H](C)CCN1C(=O)C1([NH3+])CCOCC1 ZINC000261785027 135252203 /nfs/dbraw/zinc/25/22/03/135252203.db2.gz HUBIPRIMQMUKKC-VHSXEESVSA-N 1 0 226.320 0.751 10 0 BCAERO C[C@H]1CCN(C(=O)C2([NH3+])CCOCC2)[C@H]1C ZINC000261785025 135252685 /nfs/dbraw/zinc/25/26/85/135252685.db2.gz HUBIPRIMQMUKKC-UWVGGRQHSA-N 1 0 226.320 0.751 10 0 BCAERO C[NH2+][C@H](C)CNC(=O)c1cc(C2CC2)n(C)n1 ZINC000261811471 135254170 /nfs/dbraw/zinc/25/41/70/135254170.db2.gz STJYKDPQOUCNTC-MRVPVSSYSA-N 1 0 236.319 0.635 10 0 BCAERO Cc1nc(CCNC(=O)C[C@H](C)[NH3+])c(C)o1 ZINC000261829585 135255957 /nfs/dbraw/zinc/25/59/57/135255957.db2.gz JEVHAOJBHIXPQW-ZETCQYMHSA-N 1 0 225.292 0.687 10 0 BCAERO C[C@@H]1CCN(C(=O)[C@H]([NH3+])C2CCOCC2)[C@@H]1C ZINC000261836050 135256203 /nfs/dbraw/zinc/25/62/03/135256203.db2.gz QHSXGHZOACWZCI-CKYFFXLPSA-N 1 0 240.347 0.997 10 0 BCAERO C[NH2+][C@@H](C)CNC(=O)CCOC[C@@H]1CCCO1 ZINC000261844917 135256964 /nfs/dbraw/zinc/25/69/64/135256964.db2.gz WUHAVXAHXFOWRT-QWRGUYRKSA-N 1 0 244.335 0.296 10 0 BCAERO [NH3+][C@@H]1CCC[C@H]1CC(=O)NC[C@@H]1CCOC1 ZINC000261886360 135260044 /nfs/dbraw/zinc/26/00/44/135260044.db2.gz ZUILJHNRFJIWBV-GARJFASQSA-N 1 0 226.320 0.657 10 0 BCAERO CCN(C[C@H]1CCC[NH2+]C1)[C@@H]1CCNC1=O ZINC000261910615 135262785 /nfs/dbraw/zinc/26/27/85/135262785.db2.gz ZQUCWXUIMRVGMZ-WDEREUQCSA-N 1 0 225.336 0.196 10 0 BCAERO C[C@H]([NH3+])CC(=O)NC[C@@H](O)c1ccc(F)cc1 ZINC000261912794 135262874 /nfs/dbraw/zinc/26/28/74/135262874.db2.gz WRCJQGRGONMLCP-GZMMTYOYSA-N 1 0 240.278 0.713 10 0 BCAERO C[C@@H]1CN(Cc2cnc(N(C)C)s2)C[C@H]1[NH3+] ZINC000261922331 135263691 /nfs/dbraw/zinc/26/36/91/135263691.db2.gz BTMHTNHMQPMZRZ-PSASIEDQSA-N 1 0 240.376 0.988 10 0 BCAERO CC(C)(C)CNC(=O)[C@H]([NH3+])C1CCOCC1 ZINC000261920282 135263792 /nfs/dbraw/zinc/26/37/92/135263792.db2.gz YPHODJMDTZRFRM-SNVBAGLBSA-N 1 0 228.336 0.903 10 0 BCAERO Cc1ncncc1C(=O)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261952646 135266088 /nfs/dbraw/zinc/26/60/88/135266088.db2.gz ZIEDJXSMYMXNBX-NSHDSACASA-N 1 0 248.330 0.984 10 0 BCAERO CCn1c(C)nnc1CN1CCC[C@@H]1C[NH2+]C ZINC000261980748 135269012 /nfs/dbraw/zinc/26/90/12/135269012.db2.gz HWWVBCNGDYLFDQ-LLVKDONJSA-N 1 0 237.351 0.790 10 0 BCAERO COC(=O)[C@H](NC[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000262010971 135271962 /nfs/dbraw/zinc/27/19/62/135271962.db2.gz VAQYMIFNUGYSDR-MWLCHTKSSA-N 1 0 226.320 0.527 10 0 BCAERO COC[C@H]([NH3+])C(=O)NCc1ccc(Cl)cn1 ZINC000262067023 135276533 /nfs/dbraw/zinc/27/65/33/135276533.db2.gz OPMHDHYRCAWAAT-VIFPVBQESA-N 1 0 243.694 0.325 10 0 BCAERO C[C@@H]1CN(Cc2cn(C(C)(C)C)nn2)C[C@@H]1[NH3+] ZINC000262103220 135278340 /nfs/dbraw/zinc/27/83/40/135278340.db2.gz VSTGRRUWEFUWNK-KOLCDFICSA-N 1 0 237.351 0.812 10 0 BCAERO CN(Cc1ccnn1C)C[C@]1(C)CC[NH2+]C1 ZINC000262095437 135278467 /nfs/dbraw/zinc/27/84/67/135278467.db2.gz VCOGOXDRWAMDBL-GFCCVEGCSA-N 1 0 222.336 0.852 10 0 BCAERO COC(=O)C(C)(C)CCN1C[C@H]([NH3+])[C@@H](C)C1 ZINC000262133104 135280332 /nfs/dbraw/zinc/28/03/32/135280332.db2.gz YIHVKWVEBQZSDI-UWVGGRQHSA-N 1 0 228.336 0.855 10 0 BCAERO Cc1ccc(CCN[C@@H]2CC[NH2+]C2)nc1 ZINC000262124328 135280776 /nfs/dbraw/zinc/28/07/76/135280776.db2.gz NMJIANORSJWXMV-GFCCVEGCSA-N 1 0 205.305 0.884 10 0 BCAERO CC(=O)N[C@@H](C)C(=O)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000262132225 135280809 /nfs/dbraw/zinc/28/08/09/135280809.db2.gz WPTIJDYYWSJPSU-WPRPVWTQSA-N 1 0 241.335 0.097 10 0 BCAERO C[C@H]1[NH2+]CCC[C@H]1C(=O)N[C@H]1CCOC1 ZINC000262132631 135280915 /nfs/dbraw/zinc/28/09/15/135280915.db2.gz OFNCYEFFHPXCIP-KXUCPTDWSA-N 1 0 212.293 0.280 10 0 BCAERO Cc1cccc(C(=O)NC[C@H]2C[NH2+]C[C@@H]2O)c1C ZINC000262140417 135281612 /nfs/dbraw/zinc/28/16/12/135281612.db2.gz HCVUUZSYGAGJOL-YPMHNXCESA-N 1 0 248.326 0.614 10 0 BCAERO C[C@H]([NH3+])C(=O)N1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000262162670 135282955 /nfs/dbraw/zinc/28/29/55/135282955.db2.gz VKBUGEMGZUMGNJ-OUAUKWLOSA-N 1 0 236.319 0.640 10 0 BCAERO Cc1ccsc1C(=O)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000262245223 135287141 /nfs/dbraw/zinc/28/71/41/135287141.db2.gz LDFYCBHXFPHCAT-DTWKUNHWSA-N 1 0 240.328 0.367 10 0 BCAERO Cc1ccsc1C(=O)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000262245225 135287688 /nfs/dbraw/zinc/28/76/88/135287688.db2.gz LDFYCBHXFPHCAT-IUCAKERBSA-N 1 0 240.328 0.367 10 0 BCAERO CN1CCN(C(=O)C2C[NH2+]C2)c2ccc(F)cc21 ZINC000262252121 135288044 /nfs/dbraw/zinc/28/80/44/135288044.db2.gz PTGFBBQBDDIKFI-UHFFFAOYSA-N 1 0 249.289 0.828 10 0 BCAERO COC[C@H]([NH3+])C(=O)N[C@H]1CCCC[C@@H]1OC ZINC000262261808 135288394 /nfs/dbraw/zinc/28/83/94/135288394.db2.gz JMSGKMIBXWUGII-GUBZILKMSA-N 1 0 230.308 0.034 10 0 BCAERO CCc1ccc(C(=O)NC[C@H]2C[NH2+]C[C@H]2O)cc1 ZINC000262264848 135288896 /nfs/dbraw/zinc/28/88/96/135288896.db2.gz MMJWEUQXAFLFJM-CHWSQXEVSA-N 1 0 248.326 0.559 10 0 BCAERO CO[C@]1(C)C[C@H](NC(=O)C2C[NH2+]C2)C1(C)C ZINC000262289504 135290288 /nfs/dbraw/zinc/29/02/88/135290288.db2.gz XJQAAUZOMNQBBX-JOYOIKCWSA-N 1 0 226.320 0.526 10 0 BCAERO O=C(CCC(F)(F)F)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000262212386 135290686 /nfs/dbraw/zinc/29/06/86/135290686.db2.gz IXGMWMRWYSPUKT-NKWVEPMBSA-N 1 0 240.225 0.025 10 0 BCAERO CC1(C(=O)NC[C@@H]2C[NH2+]C[C@H]2O)CCCC1 ZINC000262287684 135290962 /nfs/dbraw/zinc/29/09/62/135290962.db2.gz OKBDXFCKYZIFFS-VHSXEESVSA-N 1 0 226.320 0.263 10 0 BCAERO Cc1ccc(C(=O)NC[C@H]2C[NH2+]C[C@@H]2O)c(C)c1 ZINC000262294547 135291225 /nfs/dbraw/zinc/29/12/25/135291225.db2.gz OXVZMXJYZTXQNI-YPMHNXCESA-N 1 0 248.326 0.614 10 0 BCAERO COC[C@H]([NH3+])C(=O)N[C@@H]1C[C@@H]1Cc1ccccc1 ZINC000262302599 135292537 /nfs/dbraw/zinc/29/25/37/135292537.db2.gz OBJCYESEEVBEJE-RWMBFGLXSA-N 1 0 248.326 0.708 10 0 BCAERO C[C@H](CC(=O)NC[C@@H]1C[NH2+]C[C@H]1O)C(C)(C)C ZINC000262328891 135292808 /nfs/dbraw/zinc/29/28/08/135292808.db2.gz RZXHNWIAGVJKAB-OUAUKWLOSA-N 1 0 242.363 0.755 10 0 BCAERO CCCc1nnc(NC(=O)[C@H]([NH3+])COC)s1 ZINC000262327181 135292993 /nfs/dbraw/zinc/29/29/93/135292993.db2.gz REQDVZVVIXAPEF-ZCFIWIBFSA-N 1 0 244.320 0.403 10 0 BCAERO O=C(NC[C@H]1C[NH2+]C[C@H]1O)c1ccc(Cl)o1 ZINC000262329093 135293134 /nfs/dbraw/zinc/29/31/34/135293134.db2.gz SDCLXQAYQZMHKX-RNFRBKRXSA-N 1 0 244.678 0.243 10 0 BCAERO C[C@@H](C[NH3+])C(=O)N1CC[C@H](c2cnn(C)c2)C1 ZINC000262330330 135293257 /nfs/dbraw/zinc/29/32/57/135293257.db2.gz GNYWAZRAUIEQKH-UWVGGRQHSA-N 1 0 236.319 0.331 10 0 BCAERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1ccc(F)cc1 ZINC000262334671 135293811 /nfs/dbraw/zinc/29/38/11/135293811.db2.gz SNQLGELWPVRTTE-KOLCDFICSA-N 1 0 238.262 0.136 10 0 BCAERO COC[C@@H]([NH3+])C(=O)NC1(c2ccccc2)CC1 ZINC000262351240 135294855 /nfs/dbraw/zinc/29/48/55/135294855.db2.gz ULNYVXSGICTWCT-LLVKDONJSA-N 1 0 234.299 0.766 10 0 BCAERO Cc1ccc(C(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)cc1 ZINC000262412056 135295253 /nfs/dbraw/zinc/29/52/53/135295253.db2.gz ZJCLDPJETMXLAN-RYUDHWBXSA-N 1 0 234.299 0.305 10 0 BCAERO O=C(CCC1CCC1)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000262360549 135297009 /nfs/dbraw/zinc/29/70/09/135297009.db2.gz VDQRUMYNCQNFAO-WDEREUQCSA-N 1 0 226.320 0.263 10 0 BCAERO COC[C@H]([NH3+])C(=O)N(C)C1CCC(OC)CC1 ZINC000262375687 135298105 /nfs/dbraw/zinc/29/81/05/135298105.db2.gz XEZHMOFLXLJSMX-ILDUYXDCSA-N 1 0 244.335 0.376 10 0 BCAERO CC(C)[C@H]1OCC[C@H]1CNC(=O)[C@H](C)C[NH3+] ZINC000262395972 135298425 /nfs/dbraw/zinc/29/84/25/135298425.db2.gz OTVLXYCXJVDUIY-OUAUKWLOSA-N 1 0 228.336 0.759 10 0 BCAERO COC[C@H]([NH3+])C(=O)NC[C@]1(C)CCCC[C@@H]1O ZINC000262392504 135298700 /nfs/dbraw/zinc/29/87/00/135298700.db2.gz YYNZAKVOENCICM-NHCYSSNCSA-N 1 0 244.335 0.018 10 0 BCAERO COC[C@H]([NH3+])C(=O)NC[C@@H]1CCO[C@H]1C(C)C ZINC000262388203 135298998 /nfs/dbraw/zinc/29/89/98/135298998.db2.gz YOXHMQPJHUUXKU-DCAQKATOSA-N 1 0 244.335 0.137 10 0 BCAERO CCN(C[C@H](O)c1ccc(C)cc1)C(=O)C[NH3+] ZINC000262472754 135301155 /nfs/dbraw/zinc/30/11/55/135301155.db2.gz OJAFNEGGEPSXHK-LBPRGKRZSA-N 1 0 236.315 0.836 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N1Cc2ccccc2C[C@@H]1C ZINC000262488625 135302578 /nfs/dbraw/zinc/30/25/78/135302578.db2.gz HIYVNRBIYLXMGT-GXFFZTMASA-N 1 0 248.326 0.934 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)N[C@@H](C(N)=O)C(C)(C)C ZINC000262553646 135305138 /nfs/dbraw/zinc/30/51/38/135305138.db2.gz ZTQZGEMRVKHQCP-SFYZADRCSA-N 1 0 229.324 0.130 10 0 BCAERO COC(=O)CCC[N@H+](C)CC1CC(O)C1 ZINC000084452180 135307116 /nfs/dbraw/zinc/30/71/16/135307116.db2.gz BNAUHQQVQAZGLF-UHFFFAOYSA-N 1 0 215.293 0.642 10 0 BCAERO C[NH2+]CC(=O)N[C@@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000262776154 135317940 /nfs/dbraw/zinc/31/79/40/135317940.db2.gz NPYDKVXMUDQSBQ-NXEZZACHSA-N 1 0 228.336 0.916 10 0 BCAERO C[NH2+]CC(=O)N[C@@H]1CCO[C@H](C(C)(C)C)C1 ZINC000262776160 135318017 /nfs/dbraw/zinc/31/80/17/135318017.db2.gz NPYDKVXMUDQSBQ-ZJUUUORDSA-N 1 0 228.336 0.916 10 0 BCAERO Cc1nnc2c(NC[C@H]([NH3+])C3CC3)nccn12 ZINC000079475531 135322343 /nfs/dbraw/zinc/32/23/43/135322343.db2.gz OZDVWXFKVGUMEK-VIFPVBQESA-N 1 0 232.291 0.582 10 0 BCAERO Cc1nnc2c(NC[C@@H]([NH3+])C3CC3)nccn12 ZINC000079475536 135322493 /nfs/dbraw/zinc/32/24/93/135322493.db2.gz OZDVWXFKVGUMEK-SECBINFHSA-N 1 0 232.291 0.582 10 0 BCAERO Cc1nnc2c(N3CCCC[C@@H]3C[NH3+])nccn12 ZINC000079471096 135322504 /nfs/dbraw/zinc/32/25/04/135322504.db2.gz VMLAOPKJMNQDRG-SNVBAGLBSA-N 1 0 246.318 0.750 10 0 BCAERO C[NH2+]CCN(C)C(=O)COc1cccc(F)c1 ZINC000262945597 135325127 /nfs/dbraw/zinc/32/51/27/135325127.db2.gz ASAABGWOXGEKQL-UHFFFAOYSA-N 1 0 240.278 0.882 10 0 BCAERO COC[C@@H](C)c1nc([C@H]2C[NH2+]CCN2C)no1 ZINC000263119812 135333970 /nfs/dbraw/zinc/33/39/70/135333970.db2.gz AVFQZAODIAXEON-RKDXNWHRSA-N 1 0 240.307 0.396 10 0 BCAERO Cc1ccc(CNC[C@@H]2C[NH2+]C[C@@H]2O)nc1 ZINC000263166173 135336426 /nfs/dbraw/zinc/33/64/26/135336426.db2.gz FFQXTXHPBNOWQO-PWSUYJOCSA-N 1 0 221.304 0.060 10 0 BCAERO Oc1cccc(CNC[C@H]2C[NH2+]C[C@H]2O)c1 ZINC000263174467 135337004 /nfs/dbraw/zinc/33/70/04/135337004.db2.gz GARWVZBPYGMWOH-CMPLNLGQSA-N 1 0 222.288 0.062 10 0 BCAERO CN1CC[NH2+]C[C@@H]1c1noc(-c2ccoc2)n1 ZINC000263187071 135338107 /nfs/dbraw/zinc/33/81/07/135338107.db2.gz HMZTVSOJPCFMHU-SECBINFHSA-N 1 0 234.259 0.906 10 0 BCAERO O=C(NCCc1c(F)cccc1F)C1C[NH2+]C1 ZINC000263240475 135341785 /nfs/dbraw/zinc/34/17/85/135341785.db2.gz CDGFDIVKYWXBRC-UHFFFAOYSA-N 1 0 240.253 0.843 10 0 BCAERO CO[C@H](CNC(=O)C1C[NH2+]C1)c1ccccc1 ZINC000263236792 135341834 /nfs/dbraw/zinc/34/18/34/135341834.db2.gz BSDVWCNCTNWLGZ-GFCCVEGCSA-N 1 0 234.299 0.710 10 0 BCAERO O[C@H]1C[NH2+]C[C@@H]1CNCc1c(F)cccc1F ZINC000263246644 135342469 /nfs/dbraw/zinc/34/24/69/135342469.db2.gz PIVJYVNCNRXSDA-UFBFGSQYSA-N 1 0 242.269 0.635 10 0 BCAERO CC[C@@H](NC(=O)C1C[NH2+]C1)c1ccncc1 ZINC000263247705 135342696 /nfs/dbraw/zinc/34/26/96/135342696.db2.gz DHZXZRIZWQTFFK-LLVKDONJSA-N 1 0 219.288 0.868 10 0 BCAERO O[C@@H]1C[NH2+]C[C@H]1CNCc1c(F)cccc1F ZINC000263246641 135342886 /nfs/dbraw/zinc/34/28/86/135342886.db2.gz PIVJYVNCNRXSDA-PRHODGIISA-N 1 0 242.269 0.635 10 0 BCAERO CCc1cnc(CNC[C@H]2C[NH2+]C[C@@H]2O)s1 ZINC000263267848 135343324 /nfs/dbraw/zinc/34/33/24/135343324.db2.gz RTWVUWVXGHVVHL-SCZZXKLOSA-N 1 0 241.360 0.375 10 0 BCAERO Cc1ccc(F)cc1CNC[C@H]1C[NH2+]C[C@H]1O ZINC000263264773 135343769 /nfs/dbraw/zinc/34/37/69/135343769.db2.gz RLSQGYGAEXOEHJ-WCQYABFASA-N 1 0 238.306 0.804 10 0 BCAERO CC(C)C[C@H]1C[C@H](NC(=O)C2C[NH2+]C2)CCO1 ZINC000263286665 135344547 /nfs/dbraw/zinc/34/45/47/135344547.db2.gz KSUYANXHJLHUDW-NEPJUHHUSA-N 1 0 240.347 0.916 10 0 BCAERO C[C@]1(CNC(=O)C2C[NH2+]C2)CCCC[C@@H]1O ZINC000263294761 135344888 /nfs/dbraw/zinc/34/48/88/135344888.db2.gz MCVQLTWTHTUDOU-CMPLNLGQSA-N 1 0 226.320 0.263 10 0 BCAERO C[C@H](COCC(F)(F)F)NC(=O)C1C[NH2+]C1 ZINC000263293697 135344938 /nfs/dbraw/zinc/34/49/38/135344938.db2.gz LYVACKWUKASCHK-ZCFIWIBFSA-N 1 0 240.225 0.289 10 0 BCAERO Cc1cc(F)ccc1CNC[C@H]1C[NH2+]C[C@H]1O ZINC000263313360 135345629 /nfs/dbraw/zinc/34/56/29/135345629.db2.gz ZCBPDCJGIXVBRR-WCQYABFASA-N 1 0 238.306 0.804 10 0 BCAERO Cc1ccc(OCCNC(=O)C2C[NH2+]C2)cc1 ZINC000263307745 135345859 /nfs/dbraw/zinc/34/58/59/135345859.db2.gz ORVAVXBXZXEOEA-UHFFFAOYSA-N 1 0 234.299 0.709 10 0 BCAERO O=C(NC[C@@H](O)c1ccc(F)cc1)C1C[NH2+]C1 ZINC000263325010 135346572 /nfs/dbraw/zinc/34/65/72/135346572.db2.gz SOBZOWOHAHNISN-LLVKDONJSA-N 1 0 238.262 0.195 10 0 BCAERO C[C@@H](C[C@H](O)c1ccccc1)NC(=O)C1C[NH2+]C1 ZINC000263321320 135346858 /nfs/dbraw/zinc/34/68/58/135346858.db2.gz RMMOUQYQYWJPMO-GWCFXTLKSA-N 1 0 248.326 0.834 10 0 BCAERO CC(C)[C@H](O)C1(CNC(=O)C2C[NH2+]C2)CC1 ZINC000263336430 135347499 /nfs/dbraw/zinc/34/74/99/135347499.db2.gz WIQXIFZASOHCFQ-JTQLQIEISA-N 1 0 226.320 0.119 10 0 BCAERO C[C@@H](CNC(=O)C1C[NH2+]C1)N(C)c1ccccc1 ZINC000263333185 135347742 /nfs/dbraw/zinc/34/77/42/135347742.db2.gz VNNPNJBIMKYIFC-NSHDSACASA-N 1 0 247.342 0.847 10 0 BCAERO Cc1nccc(CN2C[C@@H]3[NH2+]CCC[C@H]3C2)n1 ZINC000299921964 135382907 /nfs/dbraw/zinc/38/29/07/135382907.db2.gz RHRNSONVWAMBLW-AAEUAGOBSA-N 1 0 232.331 0.969 10 0 BCAERO [NH3+][C@H]1CCC[C@@H]1C(=O)NCC1CCOCC1 ZINC000082921908 135442433 /nfs/dbraw/zinc/44/24/33/135442433.db2.gz UDHDOIDAXNUEHB-QWRGUYRKSA-N 1 0 226.320 0.657 10 0 BCAERO Cc1nsc(NCCCN2CC[NH2+]CC2)n1 ZINC000083648974 135453507 /nfs/dbraw/zinc/45/35/07/135453507.db2.gz XGOGJCSRSUXQJT-UHFFFAOYSA-N 1 0 241.364 0.554 10 0 BCAERO Cc1ccc(C(=O)NC2C[NH2+]C2)cc1F ZINC000085255984 135481122 /nfs/dbraw/zinc/48/11/22/135481122.db2.gz KLLKGVIWURBTMW-UHFFFAOYSA-N 1 0 208.236 0.836 10 0 BCAERO COc1cc(NC[C@@H]([NH3+])C(C)C)ncn1 ZINC000085481397 135485055 /nfs/dbraw/zinc/48/50/55/135485055.db2.gz XHXDXNHJSRPWIN-MRVPVSSYSA-N 1 0 210.281 0.880 10 0 BCAERO O=C(NC1C[NH2+]C1)[C@@H]1Cc2ccccc2S1 ZINC000086097312 135490560 /nfs/dbraw/zinc/49/05/60/135490560.db2.gz XPIFVYTVCVYKCY-NSHDSACASA-N 1 0 234.324 0.791 10 0 BCAERO C[C@]1(CNC(=O)[C@@H]2CC[NH2+]C2)CCCS1 ZINC000087796640 135513558 /nfs/dbraw/zinc/51/35/58/135513558.db2.gz FCJWIYSZZKEEOE-MWLCHTKSSA-N 1 0 228.361 0.998 10 0 BCAERO Cc1nnc2c(N[C@@H]3CCC[C@H]3C[NH3+])nccn12 ZINC000089092200 135529066 /nfs/dbraw/zinc/52/90/66/135529066.db2.gz NHIMEJJFDASVDJ-VHSXEESVSA-N 1 0 246.318 0.972 10 0 BCAERO C[NH+](C)[C@H]1CC[C@H](NS(C)(=O)=O)C1 ZINC000092259918 135574714 /nfs/dbraw/zinc/57/47/14/135574714.db2.gz ILHWHYHKKXQCAI-YUMQZZPRSA-N 1 0 206.311 0.018 10 0 BCAERO CCCS(=O)(=O)N1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000233257067 135686587 /nfs/dbraw/zinc/68/65/87/135686587.db2.gz SCWCQYMIOVXNQH-NXEZZACHSA-N 1 0 234.365 0.785 10 0 BCAERO COC[C@H](C)C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000113456097 135942844 /nfs/dbraw/zinc/94/28/44/135942844.db2.gz OUEXYFZSOMHNCP-QWRGUYRKSA-N 1 0 228.336 0.679 10 0 BCAERO COCCNC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000113575429 136014494 /nfs/dbraw/zinc/01/44/94/136014494.db2.gz BLOLHHIQNFKBRX-GHMZBOCLSA-N 1 0 241.335 0.511 10 0 BCAERO CC(C)CN(CC(N)=O)C(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000091545046 166951415 /nfs/dbraw/zinc/95/14/15/166951415.db2.gz DJQVEEUHOUEKQV-ZJUUUORDSA-N 1 0 241.335 0.084 10 0 BCAERO COCCCNC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054290683 322856895 /nfs/dbraw/zinc/85/68/95/322856895.db2.gz BOGHORNKYWZSAQ-JTQLQIEISA-N 1 0 214.309 0.529 10 0 BCAERO CCC[C@H]([NH3+])C(=O)NC[C@@H](C)SC ZINC000157943964 397937555 /nfs/dbraw/zinc/93/75/55/397937555.db2.gz YOOPEDLTFABPIZ-SFYZADRCSA-N 1 0 204.339 0.982 10 0 BCAERO COC(=O)[C@H]([NH3+])[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000259501224 397901568 /nfs/dbraw/zinc/90/15/68/397901568.db2.gz ATTLKRBHQFKKPL-BZNPZCIMSA-N 1 0 201.266 0.690 10 0 BCAERO Cc1c[nH+]ccc1N1CCO[C@@H](CO)C1 ZINC000088093855 398008622 /nfs/dbraw/zinc/00/86/22/398008622.db2.gz ZPJNSQHDIUNALD-SNVBAGLBSA-N 1 0 208.261 0.588 10 0 BCAERO C[C@@H]1C[C@H](CNC(=O)[C@@H]2CC[NH2+]C2)CCO1 ZINC000388981410 398009286 /nfs/dbraw/zinc/00/92/86/398009286.db2.gz OATUCAWQUJIJMX-GMTAPVOTSA-N 1 0 226.320 0.527 10 0 BCAERO C[C@H]1CN(C(=O)C2CC(F)(F)C2)C[C@H]1[NH3+] ZINC000383447291 398010832 /nfs/dbraw/zinc/01/08/32/398010832.db2.gz LMTGYPVJHLRZNO-POYBYMJQSA-N 1 0 218.247 0.837 10 0 BCAERO OCCN1CC[NH+](C[C@H]2CCC[C@H](O)C2)CC1 ZINC000383430405 398019415 /nfs/dbraw/zinc/01/94/15/398019415.db2.gz BQDVDKHMUBZYRC-STQMWFEESA-N 1 0 242.363 0.147 10 0 BCAERO C[C@@]1(C(=O)NCC[C@H]2CCCO2)C[NH2+]CCO1 ZINC000637901920 398038897 /nfs/dbraw/zinc/03/88/97/398038897.db2.gz JCCGRKAGCBSXEA-PWSUYJOCSA-N 1 0 242.319 0.050 10 0 BCAERO CN(C[C@H]1CCOC1)C(=O)C[C@H]1CCC[NH2+]C1 ZINC000398827037 398063280 /nfs/dbraw/zinc/06/32/80/398063280.db2.gz GDTCZKNFLBXEIG-VXGBXAGGSA-N 1 0 240.347 0.871 10 0 BCAERO CC(C)[S@](=O)[C@@H]1C[NH2+]CC[C@@]1(C)O ZINC000307298274 398064807 /nfs/dbraw/zinc/06/48/07/398064807.db2.gz WTOPJLGFQZEDQN-KKFJDGPESA-N 1 0 205.323 0.256 10 0 BCAERO CC(C)[S@](=O)[C@H]1C[NH2+]CC[C@]1(C)O ZINC000307298275 398065064 /nfs/dbraw/zinc/06/50/64/398065064.db2.gz WTOPJLGFQZEDQN-RVBZMBCESA-N 1 0 205.323 0.256 10 0 BCAERO C(C1SCCS1)N1CC[NH2+]CC1 ZINC000575497841 398096304 /nfs/dbraw/zinc/09/63/04/398096304.db2.gz MUTBVODIJMWYAP-UHFFFAOYSA-N 1 0 204.364 0.698 10 0 BCAERO O[C@H]1COCC[C@H]1[NH2+]Cc1ccns1 ZINC000630073344 398094363 /nfs/dbraw/zinc/09/43/63/398094363.db2.gz DPMIHIYAFHJVJY-BDAKNGLRSA-N 1 0 214.290 0.383 10 0 BCAERO Cn1nnnc1C[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000389363642 398078686 /nfs/dbraw/zinc/07/86/86/398078686.db2.gz RLCFPFSVBHPMBZ-DJLDLDEBSA-N 1 0 207.281 0.488 10 0 BCAERO CO[C@@H](C)CC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000116785456 398090200 /nfs/dbraw/zinc/09/02/00/398090200.db2.gz ZUQCGCYCJNQESU-WDEREUQCSA-N 1 0 244.335 0.200 10 0 BCAERO C[C@@H]1C[C@H]1C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000116794160 398090967 /nfs/dbraw/zinc/09/09/67/398090967.db2.gz AZQUPNYDZUBORN-GMTAPVOTSA-N 1 0 226.320 0.431 10 0 BCAERO C[C@@H]1C[C@H](NC(=O)[C@@H]2CC[NH2+]C2)[C@H](C)O1 ZINC000384602756 398099535 /nfs/dbraw/zinc/09/95/35/398099535.db2.gz NXXBRRKNAURMDU-RGOKHQFPSA-N 1 0 212.293 0.278 10 0 BCAERO COc1cc(OC)nc(NC[C@@H](C)[NH3+])n1 ZINC000168449718 398105520 /nfs/dbraw/zinc/10/55/20/398105520.db2.gz KAARVFCNMPFQTP-ZCFIWIBFSA-N 1 0 212.253 0.253 10 0 BCAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1CC(=O)OC ZINC000245418691 398115647 /nfs/dbraw/zinc/11/56/47/398115647.db2.gz GSEIMTKUJHUBOZ-MNOVXSKESA-N 1 0 226.320 0.718 10 0 BCAERO C[C@@H](NC(=O)C1([NH3+])CCCC1)[C@@H]1CCCO1 ZINC000037479490 398128954 /nfs/dbraw/zinc/12/89/54/398128954.db2.gz HQIUJMCJAIDQFU-ZJUUUORDSA-N 1 0 226.320 0.942 10 0 BCAERO COC[C@]1(C(=O)NCc2ccncc2)CCC[NH2+]1 ZINC000649275510 398133865 /nfs/dbraw/zinc/13/38/65/398133865.db2.gz FWLBPIKLBVLYKD-ZDUSSCGKSA-N 1 0 249.314 0.466 10 0 BCAERO CC(C)NC(=O)CCN1CCC[C@@H]([NH3+])C1 ZINC000054048862 167040511 /nfs/dbraw/zinc/04/05/11/167040511.db2.gz HRXXSANSEFFUND-SNVBAGLBSA-N 1 0 213.325 0.324 10 0 BCAERO CC(C)NC(=O)CN1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000051360059 167051987 /nfs/dbraw/zinc/05/19/87/167051987.db2.gz QCZXIENLAUOZPP-RYUDHWBXSA-N 1 0 239.363 0.727 10 0 BCAERO CC(C)NC(=O)CNC(=O)C[C@@H]1CCCC[NH2+]1 ZINC000036782051 167056934 /nfs/dbraw/zinc/05/69/34/167056934.db2.gz KYPGWBRTHLTDQC-JTQLQIEISA-N 1 0 241.335 0.159 10 0 BCAERO COCCNC(=O)[C@@H]1[NH2+]CCC[C@H]1C ZINC000051791999 174326568 /nfs/dbraw/zinc/32/65/68/174326568.db2.gz NHPOGHXDSJZFBG-RKDXNWHRSA-N 1 0 200.282 0.137 10 0 BCAERO O=C(NC[C@H]1CC[NH2+]C1)NC[C@@H]1CCCS1 ZINC000258278756 322874527 /nfs/dbraw/zinc/87/45/27/322874527.db2.gz BQVJLZWOSFGFSV-UWVGGRQHSA-N 1 0 243.376 0.791 10 0 BCAERO C[C@H](C[NH3+])N(C)c1cc(NC2CC2)ncn1 ZINC000258766252 322877211 /nfs/dbraw/zinc/87/72/11/322877211.db2.gz QAKQBMJLFHWTCT-MRVPVSSYSA-N 1 0 221.308 0.834 10 0 BCAERO [NH3+][C@H]1CCCN(c2ccc3nccnc3n2)C1 ZINC000094726292 487557216 /nfs/dbraw/zinc/55/72/16/487557216.db2.gz JOMQWGZWMLVRNM-VIFPVBQESA-N 1 0 229.287 0.952 10 0 BCAERO CCC[C@@H](C)NC(=O)C1([NH3+])CCOCC1 ZINC000149632777 487559035 /nfs/dbraw/zinc/55/90/35/487559035.db2.gz LPECMZADBHFIDO-SECBINFHSA-N 1 0 214.309 0.799 10 0 BCAERO C[C@@H]([NH3+])C[C@@H]1CSc2nccc(=O)n21 ZINC000083592758 175806261 /nfs/dbraw/zinc/80/62/61/175806261.db2.gz DYKXZENEISQNOU-RNFRBKRXSA-N 1 0 211.290 0.627 10 0 BCAERO CCCCOC[C@H](O)C[NH2+]C[C@@H](C)OC ZINC000227897562 487562630 /nfs/dbraw/zinc/56/26/30/487562630.db2.gz CQODSPAAOFUAAE-GHMZBOCLSA-N 1 0 219.325 0.789 10 0 BCAERO O=S1(=O)CC[C@H]([NH2+][C@@H]2CO[C@@H](C3CC3)C2)C1 ZINC000667470243 487565205 /nfs/dbraw/zinc/56/52/05/487565205.db2.gz SMDGXWPCMDDOLB-GARJFASQSA-N 1 0 245.344 0.331 10 0 BCAERO [NH3+]C1(CC(=O)N[C@@H]2CCC[C@@H](O)C2)CCC1 ZINC000086853318 487566595 /nfs/dbraw/zinc/56/65/95/487566595.db2.gz CFINGGMPBCMMES-NXEZZACHSA-N 1 0 226.320 0.678 10 0 BCAERO [NH3+]C1(CC(=O)N[C@@H]2CCCOC2)CCC1 ZINC000086853607 487567569 /nfs/dbraw/zinc/56/75/69/487567569.db2.gz DVRIJPUXPFOPLW-SECBINFHSA-N 1 0 212.293 0.553 10 0 BCAERO [NH3+]C1(CC(=O)N[C@H]2CCCOC2)CCC1 ZINC000086853606 487567584 /nfs/dbraw/zinc/56/75/84/487567584.db2.gz DVRIJPUXPFOPLW-VIFPVBQESA-N 1 0 212.293 0.553 10 0 BCAERO CC(C)OCC(=O)N1C[C@H]([NH+](C)C)[C@@H](C)C1 ZINC000122666301 167184824 /nfs/dbraw/zinc/18/48/24/167184824.db2.gz IBNRQFUAXODOCW-QWRGUYRKSA-N 1 0 228.336 0.820 10 0 BCAERO C[C@@H]1OCC[C@@H]1NC(=O)COC1CC[NH2+]CC1 ZINC000149755913 487570109 /nfs/dbraw/zinc/57/01/09/487570109.db2.gz YBVBDLBKFUGVPU-ONGXEEELSA-N 1 0 242.319 0.049 10 0 BCAERO CNC(=O)CCN(C)C(=O)C1CCC([NH3+])CC1 ZINC000225417122 487571017 /nfs/dbraw/zinc/57/10/17/487571017.db2.gz YMTKIRCBZXVHFZ-UHFFFAOYSA-N 1 0 241.335 0.098 10 0 BCAERO OC[C@H](O)C[NH2+]Cc1ccnc2ccccc12 ZINC000090282460 322901463 /nfs/dbraw/zinc/90/14/63/322901463.db2.gz LGFONCMQAWYGCU-LLVKDONJSA-N 1 0 232.283 0.678 10 0 BCAERO CC[C@@H](O)CCNC(=O)C1CCC([NH3+])CC1 ZINC000157585207 487576451 /nfs/dbraw/zinc/57/64/51/487576451.db2.gz RZDSNZOEMLBLHG-VQXHTEKXSA-N 1 0 228.336 0.781 10 0 BCAERO COC[C@@H]1CCN(C(=O)[C@@]2(C)CCC[NH2+]2)C1 ZINC000081061045 487577913 /nfs/dbraw/zinc/57/79/13/487577913.db2.gz PPXYXKOORYLQDQ-ZYHUDNBSSA-N 1 0 226.320 0.623 10 0 BCAERO CC(C)OCC[NH2+][C@H]1CCC(=O)N[C@@H]1C ZINC000308998640 167244720 /nfs/dbraw/zinc/24/47/20/167244720.db2.gz NGZSVOQOEILOEM-ZJUUUORDSA-N 1 0 214.309 0.668 10 0 BCAERO CC(C)(C)[C@H](O)CNC(=O)[C@H]1CC[NH2+]C1 ZINC000324385230 487592282 /nfs/dbraw/zinc/59/22/82/487592282.db2.gz XOWOUMREKMDSKC-DTWKUNHWSA-N 1 0 214.309 0.119 10 0 BCAERO C[C@H](C[NH3+])C(=O)NC[C@@H](O)C(C)(C)C ZINC000324385874 487593446 /nfs/dbraw/zinc/59/34/46/487593446.db2.gz XQNVKWMCZJBVEA-HTQZYQBOSA-N 1 0 202.298 0.104 10 0 BCAERO [NH3+]Cc1ccc(C(=O)N[C@H]2CCCOC2)o1 ZINC000087047331 487599867 /nfs/dbraw/zinc/59/98/67/487599867.db2.gz RRKFZKYQDMVYJT-QMMMGPOBSA-N 1 0 224.260 0.647 10 0 BCAERO [NH3+]Cc1ccc(C(=O)N[C@@H]2CCCOC2)o1 ZINC000087047329 487600409 /nfs/dbraw/zinc/60/04/09/487600409.db2.gz RRKFZKYQDMVYJT-MRVPVSSYSA-N 1 0 224.260 0.647 10 0 BCAERO CC(C)S(=O)(=O)CCN1C[C@@H](C[NH3+])C[C@@H]1C ZINC000228657348 167317233 /nfs/dbraw/zinc/31/72/33/167317233.db2.gz VBZTXGYQSWWLDT-WDEREUQCSA-N 1 0 248.392 0.479 10 0 BCAERO O=C(CCC1CC1)N1CC[C@H]2OCC[NH2+][C@@H]2C1 ZINC000404244238 322921681 /nfs/dbraw/zinc/92/16/81/322921681.db2.gz ZCXWMQRTTIJVRZ-VXGBXAGGSA-N 1 0 238.331 0.766 10 0 BCAERO CC(C)S(=O)(=O)N1CCC[C@@H]([NH3+])C1 ZINC000037657597 167319472 /nfs/dbraw/zinc/31/94/72/167319472.db2.gz NHRKQAGAWHZUBQ-MRVPVSSYSA-N 1 0 206.311 0.148 10 0 BCAERO CCOC(=O)[C@@H](N)[C@@H](O)c1cccnc1C ZINC000536960432 487605370 /nfs/dbraw/zinc/60/53/70/487605370.db2.gz OSBPUTYCWBFWEB-UWVGGRQHSA-N 1 0 224.260 0.314 10 0 BCAERO CC(C)S(=O)(=O)NC1(C[NH3+])CCCCC1 ZINC000037657166 167319668 /nfs/dbraw/zinc/31/96/68/167319668.db2.gz KMODCWATRXENEB-UHFFFAOYSA-N 1 0 234.365 0.976 10 0 BCAERO CC(C)S(=O)(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746771 167319717 /nfs/dbraw/zinc/31/97/17/167319717.db2.gz YCMVAVAGKMPPJN-ZACCUICWSA-N 1 0 246.376 0.939 10 0 BCAERO CCOC(=O)[C@@H](N)[C@H](O)c1cccnc1C ZINC000536960433 487605432 /nfs/dbraw/zinc/60/54/32/487605432.db2.gz OSBPUTYCWBFWEB-VHSXEESVSA-N 1 0 224.260 0.314 10 0 BCAERO C[C@H](O)C[N@H+](CCO)C[C@@H]1CCC[C@@H](O)C1 ZINC000309776312 487610291 /nfs/dbraw/zinc/61/02/91/487610291.db2.gz PVKLYPUTJWMJMJ-QJPTWQEYSA-N 1 0 231.336 0.213 10 0 BCAERO C[C@H](O)C[N@H+](CCO)C[C@H]1CCC[C@@H](O)C1 ZINC000309776313 487610324 /nfs/dbraw/zinc/61/03/24/487610324.db2.gz PVKLYPUTJWMJMJ-SDDRHHMPSA-N 1 0 231.336 0.213 10 0 BCAERO CC[C@@H]([NH2+]C)C(=O)N1CCC[C@H](NC(C)=O)C1 ZINC000662387865 409690371 /nfs/dbraw/zinc/69/03/71/409690371.db2.gz LOXYQYWWTBWJQW-WDEREUQCSA-N 1 0 241.335 0.112 10 0 BCAERO CC(C)(C)[C@@H](O)CNC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000662502469 409738826 /nfs/dbraw/zinc/73/88/26/409738826.db2.gz LRUNUWPCZYSJRS-UTLUCORTSA-N 1 0 228.336 0.637 10 0 BCAERO C[C@]1(CNC(=O)[C@H]2C[C@H](F)C[NH2+]2)CC1(F)F ZINC000662666410 409824972 /nfs/dbraw/zinc/82/49/72/409824972.db2.gz OSGHNZAVVQPIOX-LKEWCRSYSA-N 1 0 236.237 0.848 10 0 BCAERO CC[C@H]1CO[C@H](C)CN1C(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000234082283 409793907 /nfs/dbraw/zinc/79/39/07/409793907.db2.gz HUPARFQIMVWESN-WISYIIOYSA-N 1 0 240.347 0.868 10 0 BCAERO COC[C@H](C[N@@H+]1C[C@H](O)CC[C@@H]1C)OC ZINC000660832191 409809680 /nfs/dbraw/zinc/80/96/80/409809680.db2.gz JDRHCISJYWPMET-AXFHLTTASA-N 1 0 217.309 0.493 10 0 BCAERO CN1CCC[C@H]1C[NH+]1CCC(CO)CC1 ZINC000308812306 409908271 /nfs/dbraw/zinc/90/82/71/409908271.db2.gz SGGAEEBYSOQWAV-LBPRGKRZSA-N 1 0 212.337 0.785 10 0 BCAERO CC(C)(C)[C@@H](O)C[NH2+]C[C@@H](O)C(F)(F)F ZINC000308841374 409915098 /nfs/dbraw/zinc/91/50/98/409915098.db2.gz YYYHEGSAPDLGAW-NKWVEPMBSA-N 1 0 229.242 0.906 10 0 BCAERO O=C(C[C@@H]1C=CCC1)NC[C@H]1C[NH2+]C[C@H]1O ZINC000653138808 409860536 /nfs/dbraw/zinc/86/05/36/409860536.db2.gz KLWLLMGMPBKNEZ-GMTAPVOTSA-N 1 0 224.304 0.039 10 0 BCAERO CCCC(CCC)C(=O)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000653138978 409861274 /nfs/dbraw/zinc/86/12/74/409861274.db2.gz PSZJJVXQHWLEDO-NEPJUHHUSA-N 1 0 242.363 0.899 10 0 BCAERO OCC[N@@H+]1CCC[C@H](n2ccnc2)CC1 ZINC000616626826 409875924 /nfs/dbraw/zinc/87/59/24/409875924.db2.gz CEAMRAMHODWMCF-NSHDSACASA-N 1 0 209.293 0.902 10 0 BCAERO O[C@@H]1CCC[C@@H](C[N@@H+]2CCC[C@H](O)C2)C1 ZINC000308942696 409966858 /nfs/dbraw/zinc/96/68/58/409966858.db2.gz VICPFRHNHIISBY-UTUOFQBUSA-N 1 0 213.321 0.994 10 0 BCAERO OCC[N@H+](C[C@@H]1CCC[C@@H](O)C1)C1CC1 ZINC000308925169 409936826 /nfs/dbraw/zinc/93/68/26/409936826.db2.gz PWQYEYADYQUGNF-ZYHUDNBSSA-N 1 0 213.321 0.994 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)N(C)CC(C)(C)[NH3+])O1 ZINC000662844556 409948998 /nfs/dbraw/zinc/94/89/98/409948998.db2.gz DLMKEEXBZOBUKY-RKDXNWHRSA-N 1 0 214.309 0.750 10 0 BCAERO COc1cccc(Cn2cc(C(C)(C)[NH3+])nn2)n1 ZINC000070117912 410014016 /nfs/dbraw/zinc/01/40/16/410014016.db2.gz NPWYTWGWOXPOAY-UHFFFAOYSA-N 1 0 247.302 0.924 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)NC1CCOCC1 ZINC000128940904 410084059 /nfs/dbraw/zinc/08/40/59/410084059.db2.gz ITVKQFWHTVRYHA-SNVBAGLBSA-N 1 0 214.309 0.655 10 0 BCAERO CCCc1nccnc1NC[C@@H]1C[NH2+]C[C@H]1O ZINC000663271931 410091012 /nfs/dbraw/zinc/09/10/12/410091012.db2.gz IOBBQOIWRVWHRM-GXSJLCMTSA-N 1 0 236.319 0.421 10 0 BCAERO C[NH2+]C[C@@H](C)Nc1nccn2cnnc12 ZINC000663280441 410096086 /nfs/dbraw/zinc/09/60/86/410096086.db2.gz ZXUJIVKCOWTPLB-SSDOTTSWSA-N 1 0 206.253 0.144 10 0 BCAERO C[C@H]1SCC[C@@H]1NC(=O)[C@H]1CC[NH2+]C1 ZINC000653175055 410153446 /nfs/dbraw/zinc/15/34/46/410153446.db2.gz MPRLLFAJUPNJSG-VGMNWLOBSA-N 1 0 214.334 0.606 10 0 BCAERO CC(C)C[C@@H]([NH3+])C(=O)N1CC[C@@](C)(C(N)=O)C1 ZINC000232600765 487614397 /nfs/dbraw/zinc/61/43/97/487614397.db2.gz IIJRWGJEFDRQDZ-BXKDBHETSA-N 1 0 241.335 0.084 10 0 BCAERO O=C([C@@H]1C[NH2+]CCOC1)N1CCCC(F)(F)C1 ZINC000653198353 410160438 /nfs/dbraw/zinc/16/04/38/410160438.db2.gz UNBYCVOGKRTYEK-SECBINFHSA-N 1 0 248.273 0.480 10 0 BCAERO COC[C@H](C)NC(=O)CC[C@H]1CCC[NH2+]1 ZINC000308997123 410194831 /nfs/dbraw/zinc/19/48/31/410194831.db2.gz MVSJWZXBUYCSPK-VHSXEESVSA-N 1 0 214.309 0.670 10 0 BCAERO COc1cc(C)nc(Cn2cc(C[NH3+])nn2)c1 ZINC000126354647 410323606 /nfs/dbraw/zinc/32/36/06/410323606.db2.gz VEVJMEVMIQKQRA-UHFFFAOYSA-N 1 0 233.275 0.497 10 0 BCAERO COC(=O)[C@@H]1CC[NH2+]C[C@H]1C(F)(F)F ZINC000199559022 322926604 /nfs/dbraw/zinc/92/66/04/322926604.db2.gz ZJACBBGWJGIKMF-PHDIDXHHSA-N 1 0 211.183 0.947 10 0 BCAERO C[C@@H]([NH3+])CCNC(=O)/C=C\c1cccnc1 ZINC000255370487 322926619 /nfs/dbraw/zinc/92/66/19/322926619.db2.gz NWCSZVQHZMLXOM-UMCURTJPSA-N 1 0 219.288 0.948 10 0 BCAERO CCc1cc(NC(=O)[C@H]2CCC[NH2+]C2)n[nH]1 ZINC000129100310 410367641 /nfs/dbraw/zinc/36/76/41/410367641.db2.gz CGMXSLGMFWXIAC-QMMMGPOBSA-N 1 0 222.292 0.910 10 0 BCAERO CC[C@@H]([NH3+])C(=O)N[C@@H](C)c1ncc(C)o1 ZINC000225523348 487616228 /nfs/dbraw/zinc/61/62/28/487616228.db2.gz QUIHSDWMHHJSLT-JGVFFNPUSA-N 1 0 211.265 0.898 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)NC[C@H](C)SC ZINC000157944392 410521326 /nfs/dbraw/zinc/52/13/26/410521326.db2.gz YOOPEDLTFABPIZ-JGVFFNPUSA-N 1 0 204.339 0.982 10 0 BCAERO CCCCNC(=O)Cn1cc(C(C)(C)[NH3+])nn1 ZINC000070118089 410664695 /nfs/dbraw/zinc/66/46/95/410664695.db2.gz SIKHJFKDWPWPGR-UHFFFAOYSA-N 1 0 239.323 0.388 10 0 BCAERO CC(C)(C)NS(=O)(=O)CC1CC[NH2+]CC1 ZINC000049631897 166637329 /nfs/dbraw/zinc/63/73/29/166637329.db2.gz BZJBMGDMWWJXOV-UHFFFAOYSA-N 1 0 234.365 0.704 10 0 BCAERO CC(C)(C)OC(=O)N1CC(=O)[C@@]2(CC[NH2+]C2)C1 ZINC000082327720 166644012 /nfs/dbraw/zinc/64/40/12/166644012.db2.gz MZKKEGUXPONEDV-GFCCVEGCSA-N 1 0 240.303 0.786 10 0 BCAERO CC(C)(C)OC(=O)[C@H]1CC[C@H]2[NH2+]CC[C@@H]2N1 ZINC000096028408 166673671 /nfs/dbraw/zinc/67/36/71/166673671.db2.gz BQVCGYFSPSKALK-KXUCPTDWSA-N 1 0 226.320 0.811 10 0 BCAERO CC(C)(C)OC(=O)[C@@H]1C[C@@H]([NH3+])[C@@H](O)C1 ZINC000307056078 166673860 /nfs/dbraw/zinc/67/38/60/166673860.db2.gz BFNLOKNWCXPVKK-PRJMDXOYSA-N 1 0 201.266 0.426 10 0 BCAERO CC(C)C1([NH2+]CCN2C(=O)CCC2=O)CC1 ZINC000339510722 166751863 /nfs/dbraw/zinc/75/18/63/166751863.db2.gz AXFWNIVMVLBMCT-UHFFFAOYSA-N 1 0 224.304 0.914 10 0 BCAERO FC1(CN2CC[C@@H]3OCC[NH2+][C@H]3C2)CC1 ZINC000393795069 410759968 /nfs/dbraw/zinc/75/99/68/410759968.db2.gz OMHFXVMFJGPRPG-UWVGGRQHSA-N 1 0 214.284 0.551 10 0 BCAERO Cc1cnc(C(=O)N2CC[C@@H]([NH3+])[C@H]2C)cn1 ZINC000309309125 410789954 /nfs/dbraw/zinc/78/99/54/410789954.db2.gz NTZYHPHCVMOXKT-RKDXNWHRSA-N 1 0 220.276 0.347 10 0 BCAERO COCC1(CNC(=O)[C@@H]2CC[NH2+]C2)CC1 ZINC000655490020 410803471 /nfs/dbraw/zinc/80/34/71/410803471.db2.gz DEJKJJUFTTYVHD-SECBINFHSA-N 1 0 212.293 0.139 10 0 BCAERO CC[NH+](CC)CCCNCC(=O)OC ZINC000020052265 169774173 /nfs/dbraw/zinc/77/41/73/169774173.db2.gz OYVPLXNHVLPYHG-UHFFFAOYSA-N 1 0 202.298 0.481 10 0 BCAERO COCC1(CNC(=O)C[C@H]([NH3+])C(C)C)CC1 ZINC000655490494 410806665 /nfs/dbraw/zinc/80/66/65/410806665.db2.gz LYKNRZKQVHMJPB-JTQLQIEISA-N 1 0 228.336 0.903 10 0 BCAERO CC(=O)NCCCNC(=O)C[C@H]([NH3+])C(C)C ZINC000394797585 410822675 /nfs/dbraw/zinc/82/26/75/410822675.db2.gz KPGAHRLTTBZBMF-JTQLQIEISA-N 1 0 229.324 0.002 10 0 BCAERO C[C@H]1[NH2+]CCC[C@H]1C(=O)NCC1(CO)CC1 ZINC000395244079 410843767 /nfs/dbraw/zinc/84/37/67/410843767.db2.gz IZUUNZGYLRYYMI-NXEZZACHSA-N 1 0 226.320 0.263 10 0 BCAERO CC(C)CN(C(=O)[C@H]1C[C@@H](O)C[NH2+]1)C(C)C ZINC000037810184 166926308 /nfs/dbraw/zinc/92/63/08/166926308.db2.gz UJZJSIXURCZEQC-GHMZBOCLSA-N 1 0 228.336 0.602 10 0 BCAERO C[C@H]([NH2+]CC[C@H]1CCNC1=O)[C@@H]1CCCO1 ZINC000395958156 410868986 /nfs/dbraw/zinc/86/89/86/410868986.db2.gz IBHXQSFEMIGSQZ-DCAQKATOSA-N 1 0 226.320 0.670 10 0 BCAERO [NH3+]CC1(CCNc2nccn3cnnc23)CC1 ZINC000395968987 410869460 /nfs/dbraw/zinc/86/94/60/410869460.db2.gz WXZPXKTUKNZTAJ-UHFFFAOYSA-N 1 0 232.291 0.665 10 0 BCAERO CO[C@H]1C[NH2+][C@@H](C(=O)NCc2ccncc2)C1 ZINC000040631176 410882973 /nfs/dbraw/zinc/88/29/73/410882973.db2.gz UBCOHXQAFPBEKD-GHMZBOCLSA-N 1 0 235.287 0.075 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N1CCc2n[nH]nc2C1 ZINC000396871631 410903528 /nfs/dbraw/zinc/90/35/28/410903528.db2.gz JNHZVJZVOVGMME-IUCAKERBSA-N 1 0 249.318 0.064 10 0 BCAERO CC(C)C[NH2+]C1(C(N)=O)CCN(C(C)C)CC1 ZINC000037946115 167003366 /nfs/dbraw/zinc/00/33/66/167003366.db2.gz KAMQVYJMERBXTQ-UHFFFAOYSA-N 1 0 241.379 0.960 10 0 BCAERO CC(C)([NH3+])C(=O)NCC[C@H]1CCCO1 ZINC000040924362 410898450 /nfs/dbraw/zinc/89/84/50/410898450.db2.gz ZVBUDBSIFQEFMF-MRVPVSSYSA-N 1 0 200.282 0.409 10 0 BCAERO CC(C)N1CC[C@H]([N@@H+]2CC[C@@H](CCO)C2)C1=O ZINC000336698230 167024155 /nfs/dbraw/zinc/02/41/55/167024155.db2.gz KIZZXLDEZVMKJS-RYUDHWBXSA-N 1 0 240.347 0.700 10 0 BCAERO CC(C)NC(=O)CN(C)C(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000091548962 167046293 /nfs/dbraw/zinc/04/62/93/167046293.db2.gz JHTOWASCNAXHOF-ZJUUUORDSA-N 1 0 241.335 0.097 10 0 BCAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)N1CCc2n[nH]nc2C1 ZINC000396871634 410902637 /nfs/dbraw/zinc/90/26/37/410902637.db2.gz JNHZVJZVOVGMME-RKDXNWHRSA-N 1 0 249.318 0.064 10 0 BCAERO CC(C)NC(=O)CNC(=O)[C@@H]1[NH2+]CCC[C@H]1C ZINC000051792880 167056572 /nfs/dbraw/zinc/05/65/72/167056572.db2.gz RTLGRFWGZJFLMU-MWLCHTKSSA-N 1 0 241.335 0.015 10 0 BCAERO CC(C)NC(=O)[C@@H](C)O[C@@H]1CCC[NH2+]C1 ZINC000020422773 167081199 /nfs/dbraw/zinc/08/11/99/167081199.db2.gz BVAURDHIWFOHCD-NXEZZACHSA-N 1 0 214.309 0.668 10 0 BCAERO CC(C)NC(=O)[C@H]([NH3+])Cc1ccc(O)cc1 ZINC000077558526 167084203 /nfs/dbraw/zinc/08/42/03/167084203.db2.gz AVTQIQAMXRKZLX-LLVKDONJSA-N 1 0 222.288 0.787 10 0 BCAERO CC(C)NC1(C(N)=O)C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000037869270 167093344 /nfs/dbraw/zinc/09/33/44/167093344.db2.gz NGICLXIGENZNRT-DHHPTOIESA-N 1 0 225.336 0.465 10 0 BCAERO CC(C)[NH2+]CCC(=O)N1CCOC[C@H]1C ZINC000037480199 167100734 /nfs/dbraw/zinc/10/07/34/167100734.db2.gz MKNMMRUDIUPMJN-SNVBAGLBSA-N 1 0 214.309 0.622 10 0 BCAERO CC(C)[NH2+]CCCOc1ccc(C(N)=O)cn1 ZINC000051872194 167103108 /nfs/dbraw/zinc/10/31/08/167103108.db2.gz HLPBVJNODWCOSI-UHFFFAOYSA-N 1 0 237.303 0.947 10 0 BCAERO CC(C)NS(=O)(=O)C[C@H]1CCC[NH2+]1 ZINC000049631926 167122721 /nfs/dbraw/zinc/12/27/21/167122721.db2.gz BYDWYDZEAMCMKY-MRVPVSSYSA-N 1 0 206.311 0.066 10 0 BCAERO CC(C)NS(=O)(=O)C[C@H]1CCCC[NH2+]1 ZINC000049630536 167122829 /nfs/dbraw/zinc/12/28/29/167122829.db2.gz ZHWCUJXUAYFNAR-SECBINFHSA-N 1 0 220.338 0.456 10 0 BCAERO CC(C)[NH2+][C@@H](CCO)[C@H]1CCCCN1 ZINC000095088317 167132021 /nfs/dbraw/zinc/13/20/21/167132021.db2.gz UUASSAQXYVIEGB-MNOVXSKESA-N 1 0 200.326 0.878 10 0 BCAERO CC(C)[NH2+][C@H](C(N)=O)c1ccc2c(c1)OCO2 ZINC000037446594 167138637 /nfs/dbraw/zinc/13/86/37/167138637.db2.gz AIJMCZZFXOMRBA-NSHDSACASA-N 1 0 236.271 0.940 10 0 BCAERO Cc1nccc(C(=O)N(C)[C@@H]2CCC[NH2+]CC2)n1 ZINC000396896809 410906918 /nfs/dbraw/zinc/90/69/18/410906918.db2.gz UEHTYXXZNAVYGU-LLVKDONJSA-N 1 0 248.330 0.999 10 0 BCAERO CC(C)OC[C@@H](C)[NH2+]CCn1cncn1 ZINC000309007330 167255551 /nfs/dbraw/zinc/25/55/51/167255551.db2.gz QITYUNPCXUQVAN-SNVBAGLBSA-N 1 0 212.297 0.681 10 0 BCAERO CC(C)OC[C@H](O)C[NH2+][C@H]1CCN2CCC[C@H]12 ZINC000049567593 167270248 /nfs/dbraw/zinc/27/02/48/167270248.db2.gz HRMLDKKMDHXLBH-FRRDWIJNSA-N 1 0 242.363 0.599 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)NC[C@]1(C)CCOC1 ZINC000397272897 410918731 /nfs/dbraw/zinc/91/87/31/410918731.db2.gz DVSGFPZQJDNULN-PWSUYJOCSA-N 1 0 228.336 0.903 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)NC[C@@]1(C)CCOC1 ZINC000397272898 410918796 /nfs/dbraw/zinc/91/87/96/410918796.db2.gz DVSGFPZQJDNULN-ZYHUDNBSSA-N 1 0 228.336 0.903 10 0 BCAERO CC(C)[C@@H](C(=O)[O-])[N@@H+]1CCC[C@H]([NH3+])C1 ZINC000042430284 167345426 /nfs/dbraw/zinc/34/54/26/167345426.db2.gz IMOBKKUTPUHSMG-IUCAKERBSA-N 1 0 200.282 0.519 10 0 BCAERO CC(C)[C@@H](C(=O)[O-])[NH+]1CCC([NH3+])CC1 ZINC000042429956 167345678 /nfs/dbraw/zinc/34/56/78/167345678.db2.gz NCFSCEWZBPBGHW-VIFPVBQESA-N 1 0 200.282 0.519 10 0 BCAERO CC(C)[C@@H](C)[NH2+][C@H](C)C(=O)N1CCOCC1 ZINC000020302361 167383686 /nfs/dbraw/zinc/38/36/86/167383686.db2.gz KMHDUQBHLPTYOM-GHMZBOCLSA-N 1 0 228.336 0.868 10 0 BCAERO COC[C@H](C)NC(=O)C[C@@H]1CCC[NH2+]1 ZINC000042165432 410972348 /nfs/dbraw/zinc/97/23/48/410972348.db2.gz PXMUGAXITAXHCF-IUCAKERBSA-N 1 0 200.282 0.280 10 0 BCAERO C[C@@H]1SCC[C@@H]1NC(=O)C1([NH3+])CCOCC1 ZINC000309837923 410985864 /nfs/dbraw/zinc/98/58/64/410985864.db2.gz MVLPETQPXHPYCM-IUCAKERBSA-N 1 0 244.360 0.505 10 0 BCAERO CC1(C)OCC[C@H]1[NH2+]C1CCN(CCO)CC1 ZINC000399100128 411014914 /nfs/dbraw/zinc/01/49/14/411014914.db2.gz FTBCLQNDSZNAPD-GFCCVEGCSA-N 1 0 242.363 0.600 10 0 BCAERO C[C@H](O)CCNC(=O)[C@H]([NH3+])C1CCC1 ZINC000399165651 411021488 /nfs/dbraw/zinc/02/14/88/411021488.db2.gz DVVIGVCAUXMWQG-IONNQARKSA-N 1 0 200.282 0.001 10 0 BCAERO C[C@@H](Cc1ccccn1)NC(=O)[C@@H]1CC[NH2+]C1 ZINC000655499436 411028410 /nfs/dbraw/zinc/02/84/10/411028410.db2.gz LJEBIRZULGPHEQ-WDEREUQCSA-N 1 0 233.315 0.738 10 0 BCAERO CN(CC[NH3+])c1ncc(Br)cn1 ZINC000082669220 411153453 /nfs/dbraw/zinc/15/34/53/411153453.db2.gz USPYKKFNBXMNTK-UHFFFAOYSA-N 1 0 231.097 0.634 10 0 BCAERO C[NH2+][C@@H](C)CNC(=O)[C@H](C)OCC(C)C ZINC000309514909 411157756 /nfs/dbraw/zinc/15/77/56/411157756.db2.gz RCANZJIOYCWJED-UWVGGRQHSA-N 1 0 216.325 0.772 10 0 BCAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)CCOCC(F)F ZINC000309355825 411107921 /nfs/dbraw/zinc/10/79/21/411107921.db2.gz YISLEQXTIIUFDT-HTQZYQBOSA-N 1 0 236.262 0.606 10 0 BCAERO [NH3+][C@H](CC(F)F)C(=O)N[C@@H]1CCC[C@@H](O)C1 ZINC000309365039 411108063 /nfs/dbraw/zinc/10/80/63/411108063.db2.gz AGLQTDNSKIYKCH-BWZBUEFSSA-N 1 0 236.262 0.389 10 0 BCAERO COC[C@H](C)OC[C@H](O)C[NH2+][C@H]1CCO[C@H]1C ZINC000300261755 411117225 /nfs/dbraw/zinc/11/72/25/411117225.db2.gz PDVZJWKEPXSADC-YFKTTZPYSA-N 1 0 247.335 0.166 10 0 BCAERO COC[C@H](C)NC(=O)[C@@H]1[NH2+]CCCC1(C)C ZINC000300356631 411118082 /nfs/dbraw/zinc/11/80/82/411118082.db2.gz NGLOZPDGHVUXGG-UWVGGRQHSA-N 1 0 228.336 0.916 10 0 BCAERO COCC1(CC(=O)N2CC[C@@H]([NH3+])[C@H]2C)CC1 ZINC000401241098 411168175 /nfs/dbraw/zinc/16/81/75/411168175.db2.gz IKOJFZHLENPVQO-NXEZZACHSA-N 1 0 226.320 0.751 10 0 BCAERO COC1(CO)CCN(C[C@@H]2CCC[N@@H+]2C)CC1 ZINC000401760493 411170815 /nfs/dbraw/zinc/17/08/15/411170815.db2.gz HSEHUCAWXQSOER-LBPRGKRZSA-N 1 0 242.363 0.554 10 0 BCAERO N#Cc1cnccc1NC[C@@H]1CCCC[NH2+]1 ZINC000398976371 411178529 /nfs/dbraw/zinc/17/85/29/411178529.db2.gz CSZLYUHOOVRXOL-NSHDSACASA-N 1 0 216.288 0.929 10 0 BCAERO COCC[C@H](C)[NH2+][C@H]1CCC(=O)N[C@@H]1C ZINC000336773957 411181395 /nfs/dbraw/zinc/18/13/95/411181395.db2.gz ZDFHQXMSFIVCOY-AEJSXWLSSA-N 1 0 214.309 0.668 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)N1CCOC(C)(C)C1 ZINC000128940456 411192854 /nfs/dbraw/zinc/19/28/54/411192854.db2.gz HISWHAMMROBGBC-SNVBAGLBSA-N 1 0 228.336 0.997 10 0 BCAERO CC[C@@H]1COCCN1C(=O)C[C@@H]([NH3+])C(C)C ZINC000128942202 411193258 /nfs/dbraw/zinc/19/32/58/411193258.db2.gz HUEJJSUXEDQHSA-GHMZBOCLSA-N 1 0 228.336 0.997 10 0 BCAERO CC(C)[C@@H]([NH3+])CC(=O)NC[C@H]1CCCOC1 ZINC000128968397 411193374 /nfs/dbraw/zinc/19/33/74/411193374.db2.gz YMQBKMGITBJWBA-MNOVXSKESA-N 1 0 228.336 0.903 10 0 BCAERO C[C@@H]1C[C@H](NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])CO1 ZINC000402055535 411193889 /nfs/dbraw/zinc/19/38/89/411193889.db2.gz OUYJSAHQVNVXND-CHWFTXMASA-N 1 0 226.320 0.655 10 0 BCAERO COc1ncccc1C(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000061883791 411194493 /nfs/dbraw/zinc/19/44/93/411194493.db2.gz HBCIKUHSLNGQOH-ONGXEEELSA-N 1 0 249.314 0.947 10 0 BCAERO C[C@@H]1C[C@H](NC(=O)[C@H]2CC[C@H]([NH3+])C2)CO1 ZINC000402092484 411196365 /nfs/dbraw/zinc/19/63/65/411196365.db2.gz JPJIZJCZYDDJDK-KATARQTJSA-N 1 0 212.293 0.407 10 0 BCAERO CC(C)n1ccnc(OC[C@H]2CCC[NH2+]2)c1=O ZINC000061771499 167770258 /nfs/dbraw/zinc/77/02/58/167770258.db2.gz UAJOWWMESBKYRQ-SNVBAGLBSA-N 1 0 237.303 0.955 10 0 BCAERO Cc1cc(CNC(=O)C[C@@H]([NH3+])C(C)C)on1 ZINC000129020276 411202265 /nfs/dbraw/zinc/20/22/65/411202265.db2.gz YWNYUFOEXNNHAC-SNVBAGLBSA-N 1 0 225.292 0.973 10 0 BCAERO c1nc2ncnc(N3CC[N@@H+]4CCC[C@H]4C3)c2[nH]1 ZINC000246224941 411203632 /nfs/dbraw/zinc/20/36/32/411203632.db2.gz ZRBWEAWZCVSDSM-VIFPVBQESA-N 1 0 244.302 0.637 10 0 BCAERO O=C(C[C@H]1COCC[NH2+]1)NCC[C@H]1CCCO1 ZINC000129052606 411215289 /nfs/dbraw/zinc/21/52/89/411215289.db2.gz IWLWVGMUBRUSBA-WDEREUQCSA-N 1 0 242.319 0.050 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)N(C)Cc1ncc[nH]1 ZINC000129091585 411221618 /nfs/dbraw/zinc/22/16/18/411221618.db2.gz XDMVHJDZIKZLQK-SECBINFHSA-N 1 0 224.308 0.742 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N(C)Cc1cn[nH]c1 ZINC000069763535 411224448 /nfs/dbraw/zinc/22/44/48/411224448.db2.gz HOKCZXFTTOLHTM-VIFPVBQESA-N 1 0 210.281 0.496 10 0 BCAERO CC(C)[C@@H]([NH3+])CC(=O)N1CCN(C)CC1 ZINC000128847020 411247328 /nfs/dbraw/zinc/24/73/28/411247328.db2.gz PAKSEEISAPQCGT-JTQLQIEISA-N 1 0 213.325 0.134 10 0 BCAERO O=C(N[C@@H]1c2ccccc2C[C@H]1O)[C@@H]1CC[NH2+]C1 ZINC000310636639 411231995 /nfs/dbraw/zinc/23/19/95/411231995.db2.gz DDNDZBQSJVTGKO-RAIGVLPGSA-N 1 0 246.310 0.370 10 0 BCAERO C[C@@H](NC(=O)CC[C@H]1CCC[NH2+]1)C(=O)N(C)C ZINC000310488383 411239370 /nfs/dbraw/zinc/23/93/70/411239370.db2.gz NPFIJBDUCFFGNQ-NXEZZACHSA-N 1 0 241.335 0.112 10 0 BCAERO CC(C)(C)[N@@H+]1CCN[C@H](c2c[nH]nc2N)C1 ZINC000616634789 411240206 /nfs/dbraw/zinc/24/02/06/411240206.db2.gz YSMDXNPGVDUWCE-VIFPVBQESA-N 1 0 223.324 0.737 10 0 BCAERO CC(C)(C)[N@@H+]1CCN[C@@H](c2cc(N)n[nH]2)C1 ZINC000616632730 411241062 /nfs/dbraw/zinc/24/10/62/411241062.db2.gz YRHOHDINXZEVTC-SECBINFHSA-N 1 0 223.324 0.737 10 0 BCAERO CN1CCO[C@@H](C[NH2+][C@@H]2COC3(CCC3)C2)C1 ZINC000657912111 411165324 /nfs/dbraw/zinc/16/53/24/411165324.db2.gz WSOPWLNOFWPGMJ-RYUDHWBXSA-N 1 0 240.347 0.618 10 0 BCAERO CC1(C)[C@H]([NH2+]C/C=C/CO)[C@@H]2CCO[C@H]21 ZINC000658137749 411262156 /nfs/dbraw/zinc/26/21/56/411262156.db2.gz JIFOGFPUQVJVNN-BJPDOBEOSA-N 1 0 211.305 0.938 10 0 BCAERO COC[C@H](C)NC(=O)[C@]1(C)CCC[NH2+]C1 ZINC000062852018 411327177 /nfs/dbraw/zinc/32/71/77/411327177.db2.gz YWMOIYWHOIRVGS-GXSJLCMTSA-N 1 0 214.309 0.527 10 0 BCAERO O=C1NCC[C@H]1[NH2+][C@H]1COC2(CCC2)C1 ZINC000656683872 411327254 /nfs/dbraw/zinc/32/72/54/411327254.db2.gz PJFIXFJTOVVKAL-RKDXNWHRSA-N 1 0 210.277 0.176 10 0 BCAERO Nc1cc([C@@H]2COCC[N@H+](CCO)C2)ccn1 ZINC000616660065 411279299 /nfs/dbraw/zinc/27/92/99/411279299.db2.gz KMNXWWPJXGWTDH-NSHDSACASA-N 1 0 237.303 0.072 10 0 BCAERO Nc1ccn([C@@H]2CCCN(CC[NH3+])CC2)n1 ZINC000616602146 411287045 /nfs/dbraw/zinc/28/70/45/411287045.db2.gz STZMDBIJKUEPRO-SNVBAGLBSA-N 1 0 223.324 0.451 10 0 BCAERO Nc1n[nH]cc1[C@@H]1CCCN(CC[NH3+])C1 ZINC000616620515 411287113 /nfs/dbraw/zinc/28/71/13/411287113.db2.gz LDLFSPZTMQTJGR-MRVPVSSYSA-N 1 0 209.297 0.130 10 0 BCAERO Nc1cc([C@H]2COCCCN2CC[NH3+])ccn1 ZINC000616598358 411287325 /nfs/dbraw/zinc/28/73/25/411287325.db2.gz XHXFUMOLSONBBS-LLVKDONJSA-N 1 0 236.319 0.386 10 0 BCAERO C[C@@H]1CN(C(=O)[C@@H]2CCC[C@H]2C[NH3+])C[C@H](C)O1 ZINC000129478553 411290584 /nfs/dbraw/zinc/29/05/84/411290584.db2.gz BQBQMDPTIQAAKI-WHOHXGKFSA-N 1 0 240.347 0.997 10 0 BCAERO C[C@]1(C(=O)N[C@@H]2CCC[C@H](O)C2)CC[NH2+]C1 ZINC000062891488 411329553 /nfs/dbraw/zinc/32/95/53/411329553.db2.gz CFTJABLYJXWUEI-SCVCMEIPSA-N 1 0 226.320 0.406 10 0 BCAERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)Nc1cncnc1 ZINC000384529157 411295185 /nfs/dbraw/zinc/29/51/85/411295185.db2.gz JSACTNQIDIBASB-WCBMZHEXSA-N 1 0 220.276 0.803 10 0 BCAERO O=C(C[C@H]1CCCO1)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000087236640 487620428 /nfs/dbraw/zinc/62/04/28/487620428.db2.gz ULPCOGLSDMMYMM-AYLPWXGPSA-N 1 0 238.331 0.955 10 0 BCAERO [NH3+]C1(CNc2ccc3nnnn3n2)CCCC1 ZINC000656610549 411308445 /nfs/dbraw/zinc/30/84/45/411308445.db2.gz ITGRWUQDZYWSTK-UHFFFAOYSA-N 1 0 233.279 0.203 10 0 BCAERO CN(CC(C)(C)[NH3+])c1ncnc2c1cnn2C ZINC000656609831 411308514 /nfs/dbraw/zinc/30/85/14/411308514.db2.gz WDONTKOPGBWEJP-UHFFFAOYSA-N 1 0 234.307 0.537 10 0 BCAERO CN(CC(C)(C)[NH3+])c1cnn(C)c(=O)c1Cl ZINC000656609580 411308660 /nfs/dbraw/zinc/30/86/60/411308660.db2.gz QURJBVFPQGJQDV-UHFFFAOYSA-N 1 0 244.726 0.607 10 0 BCAERO CN1C[C@@H](C[NH2+][C@@H]2COC3(CCC3)C2)CC1=O ZINC000658240848 411308932 /nfs/dbraw/zinc/30/89/32/411308932.db2.gz KDWKFHUMPMGUGK-MNOVXSKESA-N 1 0 238.331 0.766 10 0 BCAERO Cc1nnc(N2CC3CC2(C[NH3+])C3)s1 ZINC000656611020 411309736 /nfs/dbraw/zinc/30/97/36/411309736.db2.gz QHNSXVMVGOAIKS-UHFFFAOYSA-N 1 0 210.306 0.774 10 0 BCAERO C[C@@H]1CN(c2cc(CO)ccn2)C[C@@H]1[NH+](C)C ZINC000124785277 411320898 /nfs/dbraw/zinc/32/08/98/411320898.db2.gz VDTWLIGNHNJJDX-PWSUYJOCSA-N 1 0 235.331 0.960 10 0 BCAERO CCN1CC[C@@H]([NH2+]CCn2cc(C)cn2)C1=O ZINC000656676266 411321565 /nfs/dbraw/zinc/32/15/65/411321565.db2.gz NIDRFKBDVPPVAV-LLVKDONJSA-N 1 0 236.319 0.402 10 0 BCAERO CC(C)(O)C[NH2+]CCC1(CS(C)(=O)=O)CC1 ZINC000656677748 411323247 /nfs/dbraw/zinc/32/32/47/411323247.db2.gz PEEHLBGNWCWLHU-UHFFFAOYSA-N 1 0 249.376 0.562 10 0 BCAERO CCc1nnc(C)cc1C(=O)N1CC[C@@H]([NH3+])[C@@H]1C ZINC000310692785 411252450 /nfs/dbraw/zinc/25/24/50/411252450.db2.gz OJJBWTZIFJKWHC-GXSJLCMTSA-N 1 0 248.330 0.909 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)N1CCO[C@H](C)C1 ZINC000128854364 411253348 /nfs/dbraw/zinc/25/33/48/411253348.db2.gz WTWQRWOLZIGXBU-NXEZZACHSA-N 1 0 214.309 0.607 10 0 BCAERO CCC[C@@H](C)NC(=O)[C@@H](C)n1cc(C[NH3+])nn1 ZINC000050224680 411254192 /nfs/dbraw/zinc/25/41/92/411254192.db2.gz ZOOIYONNSGLTOX-RKDXNWHRSA-N 1 0 239.323 0.603 10 0 BCAERO C[C@@H](C(=O)NC(C)(C)C)n1cc(C[NH3+])nn1 ZINC000050224632 411254341 /nfs/dbraw/zinc/25/43/41/411254341.db2.gz XBEQKPBULLWFKE-ZETCQYMHSA-N 1 0 225.296 0.213 10 0 BCAERO O=C1NCCC[C@H]1[NH2+][C@@H]1COC2(CCC2)C1 ZINC000656684140 411326917 /nfs/dbraw/zinc/32/69/17/411326917.db2.gz URFFDBOOWYUNAF-VHSXEESVSA-N 1 0 224.304 0.566 10 0 BCAERO O=C([C@H]1C[C@H]2C[C@H]2C1)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000659323994 411352064 /nfs/dbraw/zinc/35/20/64/411352064.db2.gz FKQUEUSNYADEFL-MTVMDMGHSA-N 1 0 236.315 0.232 10 0 BCAERO C[NH2+][C@H](C)CNc1ncnc2onc(C)c21 ZINC000304250828 411357355 /nfs/dbraw/zinc/35/73/55/411357355.db2.gz HEAHOHYBFSTVPE-ZCFIWIBFSA-N 1 0 221.264 0.946 10 0 BCAERO CC1(C)COCCN1[C@@H]1COCC[C@@H]1[NH3+] ZINC000042461936 167972834 /nfs/dbraw/zinc/97/28/34/167972834.db2.gz GUUNAQMZCNOWEB-VHSXEESVSA-N 1 0 214.309 0.213 10 0 BCAERO CC1(NC(=O)[C@H]2C[C@H](O)C[NH2+]2)CCCC1 ZINC000042188039 168059682 /nfs/dbraw/zinc/05/96/82/168059682.db2.gz PCUXTMOHYLESBK-DTWKUNHWSA-N 1 0 212.293 0.158 10 0 BCAERO CC1([NH2+][C@H]2CS(=O)(=O)C[C@H]2O)CCCC1 ZINC000042186954 168063601 /nfs/dbraw/zinc/06/36/01/168063601.db2.gz SDWHVNPXAYDOMV-DTWKUNHWSA-N 1 0 233.333 0.067 10 0 BCAERO C[N@H+](CC(C)(C)CO)[C@@H]1CCC[C@H]1O ZINC000660670778 411378751 /nfs/dbraw/zinc/37/87/51/411378751.db2.gz KCHPGNVKGCSBJW-NXEZZACHSA-N 1 0 201.310 0.850 10 0 BCAERO CC1=CC(=O)N([C@@H](C)[C@H]2CCC[NH2+]C2)C1=O ZINC000050164327 168092861 /nfs/dbraw/zinc/09/28/61/168092861.db2.gz YFTGTOFDXDICNB-UWVGGRQHSA-N 1 0 222.288 0.690 10 0 BCAERO CC(C)([NH3+])c1cn(CC2CCOCC2)nn1 ZINC000069680354 411379958 /nfs/dbraw/zinc/37/99/58/411379958.db2.gz VJIZZPDEUOADMR-UHFFFAOYSA-N 1 0 224.308 0.899 10 0 BCAERO CC(C)OCCn1cc(C(C)(C)[NH3+])nn1 ZINC000069679622 411380520 /nfs/dbraw/zinc/38/05/20/411380520.db2.gz QSKVDJDZTYHAPT-UHFFFAOYSA-N 1 0 212.297 0.897 10 0 BCAERO CC1CC(=O)N([C@@H]2CCC[C@H]2C[NH3+])C(=O)C1 ZINC000061884313 168139240 /nfs/dbraw/zinc/13/92/40/168139240.db2.gz AOHZFULFTFHXEM-VHSXEESVSA-N 1 0 224.304 0.899 10 0 BCAERO CC1CC(=O)N(C[C@H]2CCC[NH2+]2)C(=O)C1 ZINC000061829088 168139401 /nfs/dbraw/zinc/13/94/01/168139401.db2.gz KZCOXOJNMHGASW-SECBINFHSA-N 1 0 210.277 0.524 10 0 BCAERO C[C@@H]([NH2+]CC1CCC(C)CC1)C(=O)NC(N)=O ZINC000058790338 168156726 /nfs/dbraw/zinc/15/67/26/168156726.db2.gz DHROXSQESSGTPL-HWOCKDDLSA-N 1 0 241.335 0.986 10 0 BCAERO CC1CCC(NC(=O)[C@@H]2C[NH2+][C@@H](C)CN2)CC1 ZINC000062814234 168161479 /nfs/dbraw/zinc/16/14/79/168161479.db2.gz NBHANDZXUHHERS-ADPBJBESSA-N 1 0 239.363 0.631 10 0 BCAERO C[C@@]1(CNC(=O)[C@@H]2CC[NH2+]C2)CC1(F)F ZINC000659360220 411376050 /nfs/dbraw/zinc/37/60/50/411376050.db2.gz BGJSAKXMIKYBHZ-APPZFPTMSA-N 1 0 218.247 0.757 10 0 BCAERO [NH3+]Cc1cn(CCn2cc(Cl)cn2)nn1 ZINC000052577215 411376135 /nfs/dbraw/zinc/37/61/35/411376135.db2.gz RYUCGDOJTHXMSD-UHFFFAOYSA-N 1 0 226.671 0.287 10 0 BCAERO COCC[C@H](C)[N@@H+]1CC[C@@H]2OCCN[C@H]2C1 ZINC000404273795 411387951 /nfs/dbraw/zinc/38/79/51/411387951.db2.gz RGXFXESXGXQDMZ-SRVKXCTJSA-N 1 0 228.336 0.474 10 0 BCAERO C[C@H]([NH3+])CS(=O)(=O)N1CCC(C)CC1 ZINC000041234330 168184886 /nfs/dbraw/zinc/18/48/86/168184886.db2.gz SNSUXTGLTMSSBA-VIFPVBQESA-N 1 0 220.338 0.395 10 0 BCAERO CCC(C)(C)C(=O)N1CCN(CC[NH3+])CC1 ZINC000054401421 168262275 /nfs/dbraw/zinc/26/22/75/168262275.db2.gz CXPPRMRLWUCIOQ-UHFFFAOYSA-N 1 0 227.352 0.526 10 0 BCAERO CCC(C)(C)NC(=O)C[NH2+][C@H](C)C(=O)N(C)C ZINC000049281885 168290660 /nfs/dbraw/zinc/29/06/60/168290660.db2.gz XOBGOMCMPKNZQT-SECBINFHSA-N 1 0 243.351 0.358 10 0 BCAERO CCC(C)(C)NC(=O)[C@H](C)[NH2+][C@H]1CCN(C)C1 ZINC000042547204 168295630 /nfs/dbraw/zinc/29/56/30/168295630.db2.gz SQWDDPUXJVLCSJ-QWRGUYRKSA-N 1 0 241.379 0.973 10 0 BCAERO CCC(C)(C)[NH2+][C@@H]1CCS(=O)(=O)C1 ZINC000022177808 168301679 /nfs/dbraw/zinc/30/16/79/168301679.db2.gz LNWFJRQVAAYXEN-MRVPVSSYSA-N 1 0 205.323 0.952 10 0 BCAERO CCN(CCC[NH2+]C1CCC1)S(C)(=O)=O ZINC000044481848 169829953 /nfs/dbraw/zinc/82/99/53/169829953.db2.gz BYSCHEBLVBKDFW-UHFFFAOYSA-N 1 0 234.365 0.800 10 0 BCAERO Nc1cc(C2CCN(CC[NH3+])CC2)ccn1 ZINC000616620309 411398505 /nfs/dbraw/zinc/39/85/05/411398505.db2.gz VIRSOQBPGGCXLC-UHFFFAOYSA-N 1 0 220.320 0.802 10 0 BCAERO COCC1(N(C)C(=O)[C@H]2CC[C@H]([NH3+])C2)CC1 ZINC000659338926 411398952 /nfs/dbraw/zinc/39/89/52/411398952.db2.gz SIIHHEDZAKSOJQ-UWVGGRQHSA-N 1 0 226.320 0.751 10 0 BCAERO CO[C@@H](C)CNC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000659344604 411400540 /nfs/dbraw/zinc/40/05/40/411400540.db2.gz AEGCPUUDQOLWRY-GUBZILKMSA-N 1 0 214.309 0.513 10 0 BCAERO O=C(NCCO[C@@H]1CC1(F)F)[C@H]1CC[NH2+]C1 ZINC000659345624 411400622 /nfs/dbraw/zinc/40/06/22/411400622.db2.gz LZRJEGYOUIYAMN-JGVFFNPUSA-N 1 0 234.246 0.136 10 0 BCAERO O=C(NCCO[C@H]1CC1(F)F)[C@H]1CC[NH2+]C1 ZINC000659345626 411401047 /nfs/dbraw/zinc/40/10/47/411401047.db2.gz LZRJEGYOUIYAMN-YUMQZZPRSA-N 1 0 234.246 0.136 10 0 BCAERO CCN(CCO)C(=O)[C@H]1CCCC[C@H]1[NH3+] ZINC000055088359 169850285 /nfs/dbraw/zinc/85/02/85/169850285.db2.gz YJWQYZJYPGRQKI-VHSXEESVSA-N 1 0 214.309 0.345 10 0 BCAERO C[C@]1(CNC(=O)C[C@@H]2CCC[NH2+]C2)CCOC1 ZINC000397224063 411409900 /nfs/dbraw/zinc/40/99/00/411409900.db2.gz MCMMUDPPIIPGGF-WCQYABFASA-N 1 0 240.347 0.919 10 0 BCAERO OCC[N@@H+]1CCCO[C@H](c2cn[nH]c2)C1 ZINC000616648855 411411343 /nfs/dbraw/zinc/41/13/43/411411343.db2.gz FZGAKWHDOIUDCI-JTQLQIEISA-N 1 0 211.265 0.165 10 0 BCAERO COCCCCn1cc(C(C)(C)[NH3+])nn1 ZINC000131137375 411418117 /nfs/dbraw/zinc/41/81/17/411418117.db2.gz NMYVGQGPPXFYRF-UHFFFAOYSA-N 1 0 212.297 0.899 10 0 BCAERO [NH3+][C@@H]1CCC[C@H]1CC(=O)N[C@H]1CCC[C@H](O)C1 ZINC000405404687 411426982 /nfs/dbraw/zinc/42/69/82/411426982.db2.gz XHOSATCGUKKMOF-FIQHERPVSA-N 1 0 240.347 0.924 10 0 BCAERO CCN(C[C@H](C)C[NH3+])c1ncnc2c1cnn2C ZINC000042442219 169889898 /nfs/dbraw/zinc/88/98/98/169889898.db2.gz YTRRSTPHRYAKGH-SECBINFHSA-N 1 0 248.334 0.784 10 0 BCAERO C[C@@H](NC(=O)C(C)(C)N1CC[NH2+]CC1)C1CC1 ZINC000131218177 411446833 /nfs/dbraw/zinc/44/68/33/411446833.db2.gz HLLJKRVVHVZPDX-SNVBAGLBSA-N 1 0 239.363 0.585 10 0 BCAERO CC(C)[C@@H]([NH3+])C(=O)N[C@@H]1CCCOC1 ZINC000071023631 411449429 /nfs/dbraw/zinc/44/94/29/411449429.db2.gz YWSOMQRQASPWTM-RKDXNWHRSA-N 1 0 200.282 0.265 10 0 BCAERO CC(C)[NH2+]CC(=O)N[C@H]1CCCOC1 ZINC000071023783 411450145 /nfs/dbraw/zinc/45/01/45/411450145.db2.gz LQQBWVGXKGHWOO-VIFPVBQESA-N 1 0 200.282 0.280 10 0 BCAERO CC[C@@H]1C[C@@H]([NH2+][C@@H]2CCCNC2=O)CO1 ZINC000657337974 411473073 /nfs/dbraw/zinc/47/30/73/411473073.db2.gz OKFLDCPVDPBPLO-OPRDCNLKSA-N 1 0 212.293 0.422 10 0 BCAERO CC[C@@H]1C[C@@H]([NH2+]C[C@H]2CN(CC)CCO2)CO1 ZINC000657354198 411473845 /nfs/dbraw/zinc/47/38/45/411473845.db2.gz ZSAKCHPZUJLHKZ-UPJWGTAASA-N 1 0 242.363 0.864 10 0 BCAERO O=C(N[C@@H]1CCCOC1)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000407371146 411482011 /nfs/dbraw/zinc/48/20/11/411482011.db2.gz URJAFASOLYQVSC-IJLUTSLNSA-N 1 0 238.331 0.812 10 0 BCAERO O=C(N[C@@H]1CCCOC1)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000407371145 411482150 /nfs/dbraw/zinc/48/21/50/411482150.db2.gz URJAFASOLYQVSC-GRYCIOLGSA-N 1 0 238.331 0.812 10 0 BCAERO C[C@@]1(C(=O)Nc2cc[nH]n2)CCCC[NH2+]1 ZINC000127502024 411492642 /nfs/dbraw/zinc/49/26/42/411492642.db2.gz QABZQAPVIHQSJU-JTQLQIEISA-N 1 0 208.265 0.880 10 0 BCAERO COc1cc(C[N@@H+]2CC[C@H](CCO)C2)on1 ZINC000659953247 411510067 /nfs/dbraw/zinc/51/00/67/411510067.db2.gz NBAUKLSQMUVNGI-SECBINFHSA-N 1 0 226.276 0.888 10 0 BCAERO C[C@@H]1CN(C(=O)C2([NH3+])CCOCC2)[C@H](C)CO1 ZINC000127750949 411510657 /nfs/dbraw/zinc/51/06/57/411510657.db2.gz IIDAPZANCSVGQH-NXEZZACHSA-N 1 0 242.319 0.130 10 0 BCAERO CCN1CC[C@H]([N@@H+]2CC[C@@H](CCO)C2)C1=O ZINC000659953978 411510769 /nfs/dbraw/zinc/51/07/69/411510769.db2.gz YRKLLQWICKGGGX-QWRGUYRKSA-N 1 0 226.320 0.312 10 0 BCAERO CCN1CC[C@@H]([N@@H+]2CC[C@H](CCO)C2)C1=O ZINC000659953976 411511035 /nfs/dbraw/zinc/51/10/35/411511035.db2.gz YRKLLQWICKGGGX-GHMZBOCLSA-N 1 0 226.320 0.312 10 0 BCAERO CCN1CCN(C(=O)CC[C@@H](C)C[NH3+])CC1 ZINC000076612828 169983654 /nfs/dbraw/zinc/98/36/54/169983654.db2.gz GWVQLKXGRWFSQV-LLVKDONJSA-N 1 0 227.352 0.526 10 0 BCAERO CC[N@@H+]1CC[C@@H](CNCC(=O)N(C)C2CC2)C1 ZINC000049304992 170007350 /nfs/dbraw/zinc/00/73/50/170007350.db2.gz YDJREUKBFQTTRE-NSHDSACASA-N 1 0 239.363 0.539 10 0 BCAERO CC[N@@H+]1CC[C@@H](CNc2ncc(N)cn2)C1 ZINC000040455840 170009336 /nfs/dbraw/zinc/00/93/36/170009336.db2.gz RVMFRVLLFQYBLL-VIFPVBQESA-N 1 0 221.308 0.813 10 0 BCAERO CC[N@@H+]1CC[C@@H](NC(=O)N2CCOCC2)C1 ZINC000334319891 170012240 /nfs/dbraw/zinc/01/22/40/170012240.db2.gz YSUQLHIUQQJROP-SNVBAGLBSA-N 1 0 227.308 0.122 10 0 BCAERO CCN1CC[C@H]([NH2+][C@@H](C)Cn2cccn2)C1 ZINC000328209627 170022247 /nfs/dbraw/zinc/02/22/47/170022247.db2.gz UZBREHLBGKEYNO-RYUDHWBXSA-N 1 0 222.336 0.955 10 0 BCAERO CCNC(=O)C(C)(C)CNC(=O)[C@@H]([NH3+])C(C)C ZINC000236873040 170042862 /nfs/dbraw/zinc/04/28/62/170042862.db2.gz MQKJUXNAIWRKNH-VIFPVBQESA-N 1 0 243.351 0.248 10 0 BCAERO CCNC(=O)CN(C)C(=O)[C@H]1CCC[C@@H](C)[NH2+]1 ZINC000049716932 170053670 /nfs/dbraw/zinc/05/36/70/170053670.db2.gz DYWJYHULIJETBX-NXEZZACHSA-N 1 0 241.335 0.112 10 0 BCAERO CCNC(=O)CN(C)c1cc[nH+]cc1N ZINC000042141537 170055462 /nfs/dbraw/zinc/05/54/62/170055462.db2.gz UAQYDFUYBUBWKQ-UHFFFAOYSA-N 1 0 208.265 0.236 10 0 BCAERO CCNC(=O)CN(C)c1ccccc1C[NH3+] ZINC000049725670 170055508 /nfs/dbraw/zinc/05/55/08/170055508.db2.gz NTDUJQMICPFKPF-UHFFFAOYSA-N 1 0 221.304 0.718 10 0 BCAERO CCNC(=O)CN(CC)C(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000091545455 170056102 /nfs/dbraw/zinc/05/61/02/170056102.db2.gz OLXJPTNKPSXZMI-UWVGGRQHSA-N 1 0 241.335 0.098 10 0 BCAERO CCNC(=O)CN(CC)C(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000091545457 170056736 /nfs/dbraw/zinc/05/67/36/170056736.db2.gz OLXJPTNKPSXZMI-VHSXEESVSA-N 1 0 241.335 0.098 10 0 BCAERO CCNC(=O)CN(CC)c1ccc(C[NH3+])cn1 ZINC000042367102 170057257 /nfs/dbraw/zinc/05/72/57/170057257.db2.gz OFHNZUUTDQYWMV-UHFFFAOYSA-N 1 0 236.319 0.503 10 0 BCAERO CCNC(=O)CN1CC[C@H](C)C[C@H]1C[NH3+] ZINC000250282372 170060680 /nfs/dbraw/zinc/06/06/80/170060680.db2.gz KQEISMPGJOVVBC-UWVGGRQHSA-N 1 0 213.325 0.182 10 0 BCAERO CCNC(=O)CN1[C@@H]2CC[C@H]1CC([NH2+]C)C2 ZINC000054628208 170061430 /nfs/dbraw/zinc/06/14/30/170061430.db2.gz JPXPVURHVFGJEX-FGWVZKOKSA-N 1 0 225.336 0.337 10 0 BCAERO CCNC(=O)CNC(=O)C[C@@H]1CCC[C@H]([NH3+])C1 ZINC000055125779 170062189 /nfs/dbraw/zinc/06/21/89/170062189.db2.gz BETGBBNBIRVPQC-ZJUUUORDSA-N 1 0 241.335 0.146 10 0 BCAERO CCNC(=O)C[NH2+][C@@H](C)C(=O)NC(C)(C)CC ZINC000035207086 170064663 /nfs/dbraw/zinc/06/46/63/170064663.db2.gz DFQCGHLGGIHNMV-VIFPVBQESA-N 1 0 243.351 0.405 10 0 BCAERO CCNC(=O)C[NH2+][C@@H](CO)c1ccccc1 ZINC000063003138 170065920 /nfs/dbraw/zinc/06/59/20/170065920.db2.gz TWRQVCVGOYPJBB-NSHDSACASA-N 1 0 222.288 0.446 10 0 BCAERO CCNC(=O)Cn1ccc2c1CCC[C@H]2[NH3+] ZINC000041731154 170070815 /nfs/dbraw/zinc/07/08/15/170070815.db2.gz BQTSIMUCPHKJSN-SNVBAGLBSA-N 1 0 221.304 0.960 10 0 BCAERO CCNC(=O)N1CCN([C@@H](CC)CC[NH3+])CC1 ZINC000037039430 170074401 /nfs/dbraw/zinc/07/44/01/170074401.db2.gz BGYKIDLBJVFJAS-NSHDSACASA-N 1 0 242.367 0.461 10 0 BCAERO CCNC(=O)NC(=O)[C@@H](C)[NH2+]C1(C(C)C)CC1 ZINC000339509453 170077786 /nfs/dbraw/zinc/07/77/86/170077786.db2.gz RIXKMNQQRDTASR-SECBINFHSA-N 1 0 241.335 0.999 10 0 BCAERO CCNC(=O)[C@@H](C)NC(=O)C[C@@H]1CCCC[NH2+]1 ZINC000049225271 170086245 /nfs/dbraw/zinc/08/62/45/170086245.db2.gz RCBUPIWZXFCDKX-ZJUUUORDSA-N 1 0 241.335 0.159 10 0 BCAERO CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CCCOC1 ZINC000038045804 170087564 /nfs/dbraw/zinc/08/75/64/170087564.db2.gz BPYRIRBQNUEHCP-ZJUUUORDSA-N 1 0 214.309 0.527 10 0 BCAERO CCNC(=O)[C@@H](C)[NH2+]C[C@H](O)COCC(C)C ZINC000049200880 170088516 /nfs/dbraw/zinc/08/85/16/170088516.db2.gz KMTIQNMNPOBHEM-MNOVXSKESA-N 1 0 246.351 0.134 10 0 BCAERO CCNC(=O)[C@@H](C)Nc1[nH+]cc(N)cc1C ZINC000052813132 170090032 /nfs/dbraw/zinc/09/00/32/170090032.db2.gz HWWHRTBRAAJHJF-MRVPVSSYSA-N 1 0 222.292 0.909 10 0 BCAERO CCNC(=O)[C@H](C)[NH2+]C1CCOCC1 ZINC000036304749 170095318 /nfs/dbraw/zinc/09/53/18/170095318.db2.gz BMALVISCWTVINT-QMMMGPOBSA-N 1 0 200.282 0.280 10 0 BCAERO CCNC(=O)[C@H](C)[NH2+][C@H](C)CN1CCCCC1 ZINC000049501588 170096026 /nfs/dbraw/zinc/09/60/26/170096026.db2.gz ROPZOBCKWWUTIE-NEPJUHHUSA-N 1 0 241.379 0.975 10 0 BCAERO CCNC(=O)[C@H](C)Nc1[nH+]cc(N)cc1C ZINC000052813133 170096452 /nfs/dbraw/zinc/09/64/52/170096452.db2.gz HWWHRTBRAAJHJF-QMMMGPOBSA-N 1 0 222.292 0.909 10 0 BCAERO CCNC(=O)c1cc(N[C@H]2C[C@@H]2[NH3+])ccn1 ZINC000036267867 170101123 /nfs/dbraw/zinc/10/11/23/170101123.db2.gz OWLCUQMGCYEZIQ-IUCAKERBSA-N 1 0 220.276 0.343 10 0 BCAERO CCNC(=O)c1ccc(N2CC[NH2+]CC2)nc1 ZINC000049826852 170102281 /nfs/dbraw/zinc/10/22/81/170102281.db2.gz PYYKMEOKMAPRJF-UHFFFAOYSA-N 1 0 234.303 0.241 10 0 BCAERO CC[NH2+]C(C)(C)C(=O)N1CCCOCC1 ZINC000061920454 170106292 /nfs/dbraw/zinc/10/62/92/170106292.db2.gz WWWBPLKJNYNIID-UHFFFAOYSA-N 1 0 214.309 0.623 10 0 BCAERO CC[NH2+]C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1O ZINC000061299449 170107403 /nfs/dbraw/zinc/10/74/03/170107403.db2.gz JKLLSKOWVYAYRU-NXEZZACHSA-N 1 0 228.336 0.794 10 0 BCAERO CC[NH2+]C(C)(C)C(=O)NC1CCOCC1 ZINC000061289729 170107435 /nfs/dbraw/zinc/10/74/35/170107435.db2.gz QQMYTAMQXRILEX-UHFFFAOYSA-N 1 0 214.309 0.670 10 0 BCAERO CC[NH2+]C1CCN(CC(=O)N(C)C)CC1 ZINC000037184565 170108233 /nfs/dbraw/zinc/10/82/33/170108233.db2.gz DPGQOFZKGFIGIX-UHFFFAOYSA-N 1 0 213.325 0.149 10 0 BCAERO CC[NH2+]C1CCC(NS(C)(=O)=O)CC1 ZINC000036880855 170108815 /nfs/dbraw/zinc/10/88/15/170108815.db2.gz GAACJBBXESKRGW-UHFFFAOYSA-N 1 0 220.338 0.456 10 0 BCAERO CC[NH2+]C1CCN(S(=O)(=O)CC)CC1 ZINC000020202527 170109833 /nfs/dbraw/zinc/10/98/33/170109833.db2.gz BLMHTQRWSDFVBC-UHFFFAOYSA-N 1 0 220.338 0.410 10 0 BCAERO CC[NH2+]CCC(=O)N1CCO[C@@H]2CCC[C@@H]21 ZINC000061299162 170111687 /nfs/dbraw/zinc/11/16/87/170111687.db2.gz DEFOJOSMECUGJX-WDEREUQCSA-N 1 0 226.320 0.766 10 0 BCAERO CC[NH2+]CCC(=O)N1CCOC[C@@H]1C ZINC000061289278 170112055 /nfs/dbraw/zinc/11/20/55/170112055.db2.gz ZCJXMSITUDMLBV-VIFPVBQESA-N 1 0 200.282 0.233 10 0 BCAERO CC[NH2+]CCN1CCN(C(=O)OCC)CC1 ZINC000049474512 170113399 /nfs/dbraw/zinc/11/33/99/170113399.db2.gz WRKZTLUIOCUWIJ-UHFFFAOYSA-N 1 0 229.324 0.370 10 0 BCAERO CC[NH2+]CCN(C)c1nnnn1-c1ccccc1 ZINC000053704889 170113451 /nfs/dbraw/zinc/11/34/51/170113451.db2.gz PXWGSFBLDHVPQP-UHFFFAOYSA-N 1 0 246.318 0.708 10 0 BCAERO CC[NH2+]CCNc1cncc(OCC)n1 ZINC000070580113 170116568 /nfs/dbraw/zinc/11/65/68/170116568.db2.gz GAFUDVZHVAHXAP-UHFFFAOYSA-N 1 0 210.281 0.897 10 0 BCAERO CC[NH2+]C[C@@H](C)C(=O)N1CCO[C@H](C)C1 ZINC000061227125 170118036 /nfs/dbraw/zinc/11/80/36/170118036.db2.gz BKWQDVHKJRKOJA-NXEZZACHSA-N 1 0 214.309 0.479 10 0 BCAERO CC[NH2+]C[C@@H](C)C(=O)N1CCN(C)CC1 ZINC000061227022 170118387 /nfs/dbraw/zinc/11/83/87/170118387.db2.gz SBHCKODPSVPCSR-SNVBAGLBSA-N 1 0 213.325 0.006 10 0 BCAERO CC[NH2+]C[C@@H](O)CN(C)CCc1ccncc1 ZINC000048259934 170118790 /nfs/dbraw/zinc/11/87/90/170118790.db2.gz XPSBFRVFUILTNH-CYBMUJFWSA-N 1 0 237.347 0.526 10 0 BCAERO CC[NH2+]C[C@H](C)C(=O)N1CCC(O)CC1 ZINC000061228166 170120689 /nfs/dbraw/zinc/12/06/89/170120689.db2.gz JJXRHVJBMKMKPQ-VIFPVBQESA-N 1 0 214.309 0.215 10 0 BCAERO CC[NH2+]C[C@H](C)C(=O)N(CC)CC(=O)N(C)C ZINC000061230221 170121080 /nfs/dbraw/zinc/12/10/80/170121080.db2.gz WLJBXJQVROHTCO-JTQLQIEISA-N 1 0 243.351 0.169 10 0 BCAERO CC[NH2+]C[C@H](C)C(=O)N(CC(=O)OC)C(C)C ZINC000061236631 170121293 /nfs/dbraw/zinc/12/12/93/170121293.db2.gz MWCZMTCLIQYXFE-JTQLQIEISA-N 1 0 244.335 0.642 10 0 BCAERO CCN1CC[C@H]([NH2+][C@@H](CO)c2ccccc2)C1=O ZINC000660179405 411552423 /nfs/dbraw/zinc/55/24/23/411552423.db2.gz ZYSOQVYHVOXICH-STQMWFEESA-N 1 0 248.326 0.930 10 0 BCAERO CC[NH2+]Cc1cc(=O)n2ccccc2n1 ZINC000048655287 170124610 /nfs/dbraw/zinc/12/46/10/170124610.db2.gz LBIHYXDYSKMVAQ-UHFFFAOYSA-N 1 0 203.245 0.804 10 0 BCAERO CC[NH2+]Cc1nc2c(s1)CS(=O)(=O)CC2 ZINC000053294549 170131518 /nfs/dbraw/zinc/13/15/18/170131518.db2.gz IDIXEVRYSVNBNX-UHFFFAOYSA-N 1 0 246.357 0.724 10 0 BCAERO CC[NH2+][C@@H](C(N)=O)c1ccc(C(=O)OC)cc1 ZINC000037945554 170137892 /nfs/dbraw/zinc/13/78/92/170137892.db2.gz VPUALOXVXSAJKU-SNVBAGLBSA-N 1 0 236.271 0.609 10 0 BCAERO CC[NH2+][C@@H](C)CC(=O)N1CCC[C@@H]1C(=O)NC ZINC000061272813 170138982 /nfs/dbraw/zinc/13/89/82/170138982.db2.gz ZSLDSQWBHFATAE-VHSXEESVSA-N 1 0 241.335 0.112 10 0 BCAERO CC[NH2+][C@@H](C)CC(=O)N[C@@H](C)Cn1ccnc1 ZINC000061270001 170139110 /nfs/dbraw/zinc/13/91/10/170139110.db2.gz WOFFEIYCGLEEQJ-QWRGUYRKSA-N 1 0 238.335 0.776 10 0 BCAERO CC[NH2+][C@@H](C)CC(=O)N1CCC[C@H](O)C1 ZINC000061269583 170139416 /nfs/dbraw/zinc/13/94/16/170139416.db2.gz IPPVJGAQEZNQJP-UWVGGRQHSA-N 1 0 214.309 0.358 10 0 BCAERO CC[NH2+][C@@H]1CCN(Cc2ccccn2)C1=O ZINC000049648527 170151195 /nfs/dbraw/zinc/15/11/95/170151195.db2.gz TXKALNRBJGHKRT-LLVKDONJSA-N 1 0 219.288 0.792 10 0 BCAERO CC[NH2+][C@@H]1CCN(C[C@H]2CCCO2)C1=O ZINC000049647101 170151831 /nfs/dbraw/zinc/15/18/31/170151831.db2.gz ITDOTZSEVNGPIA-NXEZZACHSA-N 1 0 212.293 0.376 10 0 BCAERO CC[NH2+][C@@H]1CCN(C[C@@H]2CCS(=O)(=O)C2)C1 ZINC000050602404 170152271 /nfs/dbraw/zinc/15/22/71/170152271.db2.gz ZUYMSRLUAUEILA-WDEREUQCSA-N 1 0 246.376 0.105 10 0 BCAERO CC[NH2+][C@@](C)(CN(C)CCC[NH+](C)C)C(=O)[O-] ZINC000104192363 170155336 /nfs/dbraw/zinc/15/53/36/170155336.db2.gz RFQMILTYOIJEDQ-LBPRGKRZSA-N 1 0 245.367 0.323 10 0 BCAERO CC[NH2+][C@H](C(N)=O)c1ccc(O)c(OC)c1 ZINC000037945551 170156123 /nfs/dbraw/zinc/15/61/23/170156123.db2.gz JKQSEVCHOSHLNU-JTQLQIEISA-N 1 0 224.260 0.537 10 0 BCAERO CC[NH2+][C@H](C(N)=O)c1c(C)nn(C)c1C ZINC000037945556 170156226 /nfs/dbraw/zinc/15/62/26/170156226.db2.gz ZDYWWMOCVQWRFV-VIFPVBQESA-N 1 0 210.281 0.173 10 0 BCAERO CCN[C@H](CC[N@@H+]1CC[C@H](C)C[C@@H]1C)C(N)=O ZINC000062531409 170161459 /nfs/dbraw/zinc/16/14/59/170161459.db2.gz CDZHMDKHRAENNI-SDDRHHMPSA-N 1 0 241.379 0.960 10 0 BCAERO CC[NH2+][C@H]1CCC2(C[C@@H]1OC)OCCO2 ZINC000044042680 170166282 /nfs/dbraw/zinc/16/62/82/170166282.db2.gz WULIJUPTXDETFN-UWVGGRQHSA-N 1 0 215.293 0.907 10 0 BCAERO CC[NH2+][C@H]1CCN(C2CCOCC2)C1=O ZINC000049648250 170167066 /nfs/dbraw/zinc/16/70/66/170167066.db2.gz RWGVQHPRUAEBQP-JTQLQIEISA-N 1 0 212.293 0.376 10 0 BCAERO CC[NH2+][C@H]1CCN(Cc2ccnc(OC)c2)C1=O ZINC000062073654 170167984 /nfs/dbraw/zinc/16/79/84/170167984.db2.gz AEIHQXKHNCVYRN-NSHDSACASA-N 1 0 249.314 0.801 10 0 BCAERO CC[NH2+][C@H]1CCN(c2cnn(CCOC)c2)C1 ZINC000049545654 170169119 /nfs/dbraw/zinc/16/91/19/170169119.db2.gz VTCCTLOQBQPOQV-NSHDSACASA-N 1 0 238.335 0.718 10 0 BCAERO CC[NH2+][C@](C)(CN(C)CCC[NH+](C)C)C(=O)[O-] ZINC000104192364 170170884 /nfs/dbraw/zinc/17/08/84/170170884.db2.gz RFQMILTYOIJEDQ-GFCCVEGCSA-N 1 0 245.367 0.323 10 0 BCAERO CCOC(=O)C1=CS[C@H]([C@@H]2CCC[NH2+]2)N1 ZINC000100031837 170192074 /nfs/dbraw/zinc/19/20/74/170192074.db2.gz VJUSBXJRXDLBJX-IONNQARKSA-N 1 0 228.317 0.805 10 0 BCAERO CCOC(=O)CCN1CCO[C@H](C[NH+](C)C)C1 ZINC000105926174 170205545 /nfs/dbraw/zinc/20/55/45/170205545.db2.gz UYJDEFALFOLWSE-LLVKDONJSA-N 1 0 244.335 0.202 10 0 BCAERO CCOC(=O)CCNC(=O)[C@]1(C)CCCC[NH2+]1 ZINC000136158790 170208749 /nfs/dbraw/zinc/20/87/49/170208749.db2.gz HCAYPRGRSPZGLM-LBPRGKRZSA-N 1 0 242.319 0.588 10 0 BCAERO CCOC(=O)CN(C)C(=O)C1CC[NH2+]CC1 ZINC000236834473 170212929 /nfs/dbraw/zinc/21/29/29/170212929.db2.gz CYSZDKMVTVAHDT-UHFFFAOYSA-N 1 0 228.292 0.008 10 0 BCAERO CCOC(=O)CN(C(=O)[C@H]([NH3+])C(C)C)C(C)C ZINC000038101187 170213088 /nfs/dbraw/zinc/21/30/88/170213088.db2.gz JGSAVAJUMYQIIO-LLVKDONJSA-N 1 0 244.335 0.770 10 0 BCAERO CCOC(=O)CN(C)C(=O)[C@@H]([NH3+])[C@@H](C)CC ZINC000236834609 170214113 /nfs/dbraw/zinc/21/41/13/170214113.db2.gz RCVHATLXDMXQCJ-WPRPVWTQSA-N 1 0 230.308 0.381 10 0 BCAERO CCOC(=O)CN(CC)C(=O)n1cc[n+](C)c1 ZINC000042558974 170216707 /nfs/dbraw/zinc/21/67/07/170216707.db2.gz BMTNIIZZQDHOSZ-UHFFFAOYSA-N 1 0 240.283 0.166 10 0 BCAERO CCOC(=O)CN1CC[N@H+](CCOC)[C@H](C)C1 ZINC000105913856 170220105 /nfs/dbraw/zinc/22/01/05/170220105.db2.gz KXZQJVRAOXPJKD-LLVKDONJSA-N 1 0 244.335 0.202 10 0 BCAERO CCOC(=O)CNCC(C)(C)C[NH+](C)C ZINC000020043248 170225292 /nfs/dbraw/zinc/22/52/92/170225292.db2.gz SICRJVABVYLSTJ-UHFFFAOYSA-N 1 0 216.325 0.727 10 0 BCAERO CCOC(=O)CN[C@H](C)C[NH+](CC)CC ZINC000045705004 170226671 /nfs/dbraw/zinc/22/66/71/170226671.db2.gz RFNXWXRWCYWJRZ-SNVBAGLBSA-N 1 0 216.325 0.869 10 0 BCAERO CCOC(=O)N1CCC(N2CC[NH2+]CC2)CC1 ZINC000082729043 170239373 /nfs/dbraw/zinc/23/93/73/170239373.db2.gz HKWLREDQGRSXPU-UHFFFAOYSA-N 1 0 241.335 0.513 10 0 BCAERO CCOC(=O)N1CCN([C@H](CC)CC[NH3+])CC1 ZINC000037039447 170240038 /nfs/dbraw/zinc/24/00/38/170240038.db2.gz KECBZHAYLCVGJE-LLVKDONJSA-N 1 0 243.351 0.888 10 0 BCAERO CCOC(=O)N1CCN([C@H](C)C[NH+](C)C)CC1 ZINC000022041742 170240134 /nfs/dbraw/zinc/24/01/34/170240134.db2.gz NXRUUXLLYDYIGC-LLVKDONJSA-N 1 0 243.351 0.711 10 0 BCAERO CCOC(=O)N[C@@H](C[NH3+])c1cccnc1 ZINC000019415358 170243064 /nfs/dbraw/zinc/24/30/64/170243064.db2.gz HXFRHLOIOSINQT-VIFPVBQESA-N 1 0 209.249 0.828 10 0 BCAERO CCOC(=O)[C@@H](N)C[N@@H+]1CCCC[C@@H]1C ZINC000045375990 170252784 /nfs/dbraw/zinc/25/27/84/170252784.db2.gz MAGUHWAHJNPPOH-UWVGGRQHSA-N 1 0 214.309 0.751 10 0 BCAERO CCOC(=O)[C@@H](N)C[NH+]1CCCCCC1 ZINC000045377348 170252947 /nfs/dbraw/zinc/25/29/47/170252947.db2.gz OVNZWLCLFGOMPN-JTQLQIEISA-N 1 0 214.309 0.753 10 0 BCAERO CCOC(=O)[C@@]1(N2CC[NH2+]CC2)CCSC1 ZINC000037963966 170263268 /nfs/dbraw/zinc/26/32/68/170263268.db2.gz YZDHADOPJGRFFM-LLVKDONJSA-N 1 0 244.360 0.330 10 0 BCAERO CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+][C@H](C)[C@@H]1C[C@H]1C ZINC000657607579 411561024 /nfs/dbraw/zinc/56/10/24/411561024.db2.gz ZLSYCBUZPDSGGV-MVCUBJFGSA-N 1 0 247.360 0.433 10 0 BCAERO CCOC(=O)[C@H](N)CC[N@H+](C)C(C)C ZINC000062441748 170274123 /nfs/dbraw/zinc/27/41/23/170274123.db2.gz XSQPQLITMRSXPQ-SECBINFHSA-N 1 0 202.298 0.607 10 0 BCAERO CCOC(=O)c1c2c(nn1C)CC[NH2+]C2 ZINC000169795003 170290190 /nfs/dbraw/zinc/29/01/90/170290190.db2.gz RGYUFSCEBLXXQJ-UHFFFAOYSA-N 1 0 209.249 0.243 10 0 BCAERO CCOC(=O)c1ccc(N2CC[C@H]([NH3+])C2)nc1 ZINC000050244228 170296138 /nfs/dbraw/zinc/29/61/38/170296138.db2.gz RKXQWBBRCKYODH-JTQLQIEISA-N 1 0 235.287 0.796 10 0 BCAERO CCOCC(=O)N1CCC([NH2+]C)CC1 ZINC000037469232 170339730 /nfs/dbraw/zinc/33/97/30/170339730.db2.gz ZVJITWKCTOVUDK-UHFFFAOYSA-N 1 0 200.282 0.233 10 0 BCAERO CCOCC(=O)N1CC[C@H](C)C[C@@H]1C[NH3+] ZINC000233975889 170341886 /nfs/dbraw/zinc/34/18/86/170341886.db2.gz IBOFPMRPSPBWRF-VHSXEESVSA-N 1 0 214.309 0.609 10 0 BCAERO CCOCCC(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000061883709 170363036 /nfs/dbraw/zinc/36/30/36/170363036.db2.gz DAJQTMLPSWXJSN-UWVGGRQHSA-N 1 0 214.309 0.657 10 0 BCAERO CCOCCCC[NH2+]CCn1cnccc1=O ZINC000104274895 170369321 /nfs/dbraw/zinc/36/93/21/170369321.db2.gz FZDOLTKUCZFLBT-UHFFFAOYSA-N 1 0 239.319 0.650 10 0 BCAERO CCO[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CCC[C@H]1O ZINC000660321713 411568873 /nfs/dbraw/zinc/56/88/73/411568873.db2.gz FLKCLAMWBBLOHE-WRWGMCAJSA-N 1 0 229.320 0.683 10 0 BCAERO CCOCCCN1C[C@H](C[NH3+])CC1=O ZINC000019669424 170376629 /nfs/dbraw/zinc/37/66/29/170376629.db2.gz XQDNJYYMZPHIDG-VIFPVBQESA-N 1 0 200.282 0.220 10 0 BCAERO CCOCCC[NH2+]CC(=O)N[C@H](C)CC ZINC000020054948 170380496 /nfs/dbraw/zinc/38/04/96/170380496.db2.gz IAHXCSLLCRPDJE-SNVBAGLBSA-N 1 0 216.325 0.917 10 0 BCAERO CCOCCC[NH2+][C@H]1CCS(=O)(=O)C1 ZINC000022218914 170383332 /nfs/dbraw/zinc/38/33/32/170383332.db2.gz UPVCDGQPRSMTHO-VIFPVBQESA-N 1 0 221.322 0.190 10 0 BCAERO CCOCC[N@H+](C)C[C@H](C)C(N)=S ZINC000042457316 170389716 /nfs/dbraw/zinc/38/97/16/170389716.db2.gz ZRRYGSBWGUBFPM-QMMMGPOBSA-N 1 0 204.339 0.877 10 0 BCAERO CCOCCN1CC[N@H+](C[C@@H](C)O)[C@H](CC)C1 ZINC000105912835 170399534 /nfs/dbraw/zinc/39/95/34/170399534.db2.gz WIPFXMHFWCOTQC-CHWSQXEVSA-N 1 0 244.379 0.800 10 0 BCAERO Cc1nsc(NC(=O)C[C@@H]2CC[NH2+]C2)n1 ZINC000131808376 411629709 /nfs/dbraw/zinc/62/97/09/411629709.db2.gz SRFAWMSFDFJFOE-ZETCQYMHSA-N 1 0 226.305 0.785 10 0 BCAERO CC[N@@H+]1CCCO[C@@H](Nc2cc[nH]n2)C1 ZINC000616653628 411631876 /nfs/dbraw/zinc/63/18/76/411631876.db2.gz RBUVIHHVQQOYMO-SNVBAGLBSA-N 1 0 210.281 0.890 10 0 BCAERO CC[N@@H+]1CCCO[C@H](Nc2cc[nH]n2)C1 ZINC000616650047 411632471 /nfs/dbraw/zinc/63/24/71/411632471.db2.gz RBUVIHHVQQOYMO-JTQLQIEISA-N 1 0 210.281 0.890 10 0 BCAERO CCS(=O)(=O)C1(C[NH2+]CC(C)(C)O)CC1 ZINC000663364222 411636760 /nfs/dbraw/zinc/63/67/60/411636760.db2.gz PTKCXBFXMYKWQH-UHFFFAOYSA-N 1 0 235.349 0.314 10 0 BCAERO COC[C@H](C[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@H]2C1)OC ZINC000660808081 411639527 /nfs/dbraw/zinc/63/95/27/411639527.db2.gz NGXJCGONHQDJKL-RVMXOQNASA-N 1 0 243.347 0.741 10 0 BCAERO C[C@](O)(C[NH2+]C1CC(CO)C1)C(F)(F)F ZINC000663374205 411641154 /nfs/dbraw/zinc/64/11/54/411641154.db2.gz HXVBUXJWAXNFKE-RRQHEKLDSA-N 1 0 227.226 0.660 10 0 BCAERO CCOCC[C@H](O)C[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000309676616 170427925 /nfs/dbraw/zinc/42/79/25/170427925.db2.gz YAFGXYZXOWDDNA-SRVKXCTJSA-N 1 0 231.336 0.931 10 0 BCAERO CN1C[C@@H](C[NH2+]C[C@@H]2CCSC2)CC1=O ZINC000657694245 411579037 /nfs/dbraw/zinc/57/90/37/411579037.db2.gz BGUIGUWBUVEBHH-VHSXEESVSA-N 1 0 228.361 0.807 10 0 BCAERO Cc1noc(C)c1C[NH2+]C[C@@H]1CC(=O)N(C)C1 ZINC000657694340 411580416 /nfs/dbraw/zinc/58/04/16/411580416.db2.gz KDRCWEARBDYDRN-JTQLQIEISA-N 1 0 237.303 0.859 10 0 BCAERO Cc1nn(C)cc1C[NH2+]C[C@@H]1CC(=O)N(C)C1 ZINC000657694499 411581046 /nfs/dbraw/zinc/58/10/46/411581046.db2.gz DJCWVBUDZVOPFA-JTQLQIEISA-N 1 0 236.319 0.296 10 0 BCAERO Cc1n[nH]cc1C[NH2+]C[C@H]1CC(=O)N(C)C1 ZINC000657696799 411581052 /nfs/dbraw/zinc/58/10/52/411581052.db2.gz KXSSYLPAPPQVKO-SECBINFHSA-N 1 0 222.292 0.286 10 0 BCAERO Cc1ccc(O)c(C[NH2+]C[C@@H]2CC(=O)N(C)C2)n1 ZINC000657697562 411581707 /nfs/dbraw/zinc/58/17/07/411581707.db2.gz QASJXSJBGVNIKL-JTQLQIEISA-N 1 0 249.314 0.664 10 0 BCAERO CN1C[C@H](C[NH2+]CC2=CCCOC2)CC1=O ZINC000657697212 411581725 /nfs/dbraw/zinc/58/17/25/411581725.db2.gz NUMKSSCAWWXSEP-NSHDSACASA-N 1 0 224.304 0.401 10 0 BCAERO Cc1nc(C[NH2+]C[C@H]2CC(=O)N(C)C2)[nH]c1C ZINC000657697602 411581774 /nfs/dbraw/zinc/58/17/74/411581774.db2.gz UMFAANHCAJJETN-SNVBAGLBSA-N 1 0 236.319 0.594 10 0 BCAERO CN1C[C@H](C[NH2+]Cc2cscn2)CC1=O ZINC000657697632 411581955 /nfs/dbraw/zinc/58/19/55/411581955.db2.gz QQYBYNPYRUOZRA-QMMMGPOBSA-N 1 0 225.317 0.711 10 0 BCAERO CCOC[C@@H](O)C[N@@H+]1CCC[C@@H]1CCCO ZINC000068951096 170436197 /nfs/dbraw/zinc/43/61/97/170436197.db2.gz BIHKERGCQCJGSF-NEPJUHHUSA-N 1 0 231.336 0.621 10 0 BCAERO Cn1ncc(Cl)c1C[NH2+]C1CC(CO)C1 ZINC000657811669 411603524 /nfs/dbraw/zinc/60/35/24/411603524.db2.gz ZDXSKGILGHLRAV-UHFFFAOYSA-N 1 0 229.711 0.934 10 0 BCAERO CCO[C@@H](C)C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000116797446 170471895 /nfs/dbraw/zinc/47/18/95/170471895.db2.gz HICSDCSNTVZECN-QWRGUYRKSA-N 1 0 244.335 0.200 10 0 BCAERO CCN1CC[C@H]([N@@H+]2C[C@@H](C)C[C@H](O)C2)C1=O ZINC000660757430 411620970 /nfs/dbraw/zinc/62/09/70/411620970.db2.gz LTZAGAXCCWPXSH-DCAQKATOSA-N 1 0 226.320 0.310 10 0 BCAERO CCO[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000236855326 170487811 /nfs/dbraw/zinc/48/78/11/170487811.db2.gz COVFSTCPYREDNU-LMLFDSFASA-N 1 0 226.320 0.655 10 0 BCAERO CCO[C@@H]1C[C@H]1C(=O)N[C@@H](C[NH3+])CC(C)C ZINC000236862827 170494151 /nfs/dbraw/zinc/49/41/51/170494151.db2.gz VMBNKAAONLMUHV-GMTAPVOTSA-N 1 0 228.336 0.901 10 0 BCAERO CCO[C@H]1C[C@@H]1C(=O)N1CCC(C[NH2+]C)CC1 ZINC000236953422 170508272 /nfs/dbraw/zinc/50/82/72/170508272.db2.gz HSYOXZWHQXPNJH-RYUDHWBXSA-N 1 0 240.347 0.869 10 0 BCAERO CCOc1cc([C@@H]([NH3+])C(N)=O)ccc1O ZINC000037460167 170528331 /nfs/dbraw/zinc/52/83/31/170528331.db2.gz UPAVPSBNURZXJY-SECBINFHSA-N 1 0 210.233 0.276 10 0 BCAERO CCOC(=O)c1ccc(NC[C@H](C)C[NH3+])nc1 ZINC000420213858 411688436 /nfs/dbraw/zinc/68/84/36/411688436.db2.gz IMMWNYZYOMKGGG-SECBINFHSA-N 1 0 237.303 1.265 10 0 BCAERO c1cc2c(ncnc2NC[C@H]2CCC[NH2+]C2)[nH]1 ZINC000420176654 411702293 /nfs/dbraw/zinc/70/22/93/411702293.db2.gz QNCDDGBGTRTENO-VIFPVBQESA-N 1 0 231.303 1.369 10 0 BCAERO c1ccc(C[N@@H+]2CC[C@@H](Nc3nn[nH]n3)C2)cc1 ZINC000575466449 411702580 /nfs/dbraw/zinc/70/25/80/411702580.db2.gz MDILPPRSOWKDTA-LLVKDONJSA-N 1 0 244.302 0.886 10 0 BCAERO Cc1nc(NC[C@H]2C[NH2+]C[C@@H]2O)sc1C ZINC000420260087 411748423 /nfs/dbraw/zinc/74/84/23/411748423.db2.gz ZLPRHXZDVWCUPH-BDAKNGLRSA-N 1 0 227.333 0.752 10 0 BCAERO CCc1csc(NC[C@H]2C[NH2+]C[C@H]2O)n1 ZINC000420237964 411770648 /nfs/dbraw/zinc/77/06/48/411770648.db2.gz IIDCGHGEHLTGMP-VXNVDRBHSA-N 1 0 227.333 0.698 10 0 BCAERO CCSCC[NH2+]C[C@H]1CN(C)CCO1 ZINC000126256620 170636462 /nfs/dbraw/zinc/63/64/62/170636462.db2.gz HHKPOSFJFIZLLZ-JTQLQIEISA-N 1 0 218.366 0.660 10 0 BCAERO CCOc1nccnc1NC1CCC([NH3+])CC1 ZINC000642998809 411719616 /nfs/dbraw/zinc/71/96/16/411719616.db2.gz LISUPNRMQKZBCN-UHFFFAOYSA-N 1 0 236.319 1.557 10 0 BCAERO CCOc1nccnc1N[C@@H](C)[C@@H](C)[NH3+] ZINC000643045974 411719754 /nfs/dbraw/zinc/71/97/54/411719754.db2.gz VGAZSTAGTUTNJN-SFYZADRCSA-N 1 0 210.281 1.023 10 0 BCAERO CCOc1nccnc1NC[C@@H]([NH3+])C1CC1 ZINC000572859637 411720620 /nfs/dbraw/zinc/72/06/20/411720620.db2.gz KGHAMUXVXVWXAF-SECBINFHSA-N 1 0 222.292 1.025 10 0 BCAERO CCOc1nccnc1N[C@@H](C)[C@H](C)[NH3+] ZINC000643045975 411721082 /nfs/dbraw/zinc/72/10/82/411721082.db2.gz VGAZSTAGTUTNJN-YUMQZZPRSA-N 1 0 210.281 1.023 10 0 BCAERO C[C@@H](CCCC[NH3+])Nc1ccc(C#N)nn1 ZINC000397037642 411816221 /nfs/dbraw/zinc/81/62/21/411816221.db2.gz GVOLUSDGRJKHDQ-VIFPVBQESA-N 1 0 219.292 1.278 10 0 BCAERO C[C@@H](C[NH3+])Nc1ccc(Br)nn1 ZINC000575587002 411817017 /nfs/dbraw/zinc/81/70/17/411817017.db2.gz KMPMWBBTAZQFIG-YFKPBYRVSA-N 1 0 231.097 0.998 10 0 BCAERO C[C@@H]([NH3+])C[C@H](C)Nc1ccc2nncn2n1 ZINC000574989107 411823895 /nfs/dbraw/zinc/82/38/95/411823895.db2.gz FEYXJEDCQPIYQT-SFYZADRCSA-N 1 0 220.280 0.662 10 0 BCAERO COc1ncccc1C(=O)NC[C@@H]1CC[NH2+]C1 ZINC000133592689 411845578 /nfs/dbraw/zinc/84/55/78/411845578.db2.gz UNZCJBDZMLJIJN-SECBINFHSA-N 1 0 235.287 0.430 10 0 BCAERO CC[C@@H](C)NC(=O)[C@H](C)[NH2+][C@@H](C)C(=O)N(C)C ZINC000042570881 170746050 /nfs/dbraw/zinc/74/60/50/170746050.db2.gz QJAXOIFZVHHHJK-UTLUCORTSA-N 1 0 243.351 0.356 10 0 BCAERO CC[N@@H+]1CCC[C@@H](Nc2nc(C)nc(N)n2)C1 ZINC000383806654 411857060 /nfs/dbraw/zinc/85/70/60/411857060.db2.gz OVWLOYNBVUZXEU-SECBINFHSA-N 1 0 236.323 0.658 10 0 BCAERO CC[N@@H+]1CCOC[C@@H](c2cc(N)n[nH]2)C1 ZINC000616661319 411857431 /nfs/dbraw/zinc/85/74/31/411857431.db2.gz PMBNYGWCMCJZDV-QMMMGPOBSA-N 1 0 210.281 0.428 10 0 BCAERO CCN1CC[NH2+]C[C@H]1c1ccc(N)nc1 ZINC000616637522 411858717 /nfs/dbraw/zinc/85/87/17/411858717.db2.gz OFWAKSGURKNDFH-JTQLQIEISA-N 1 0 206.293 0.630 10 0 BCAERO C[C@@H]1C[C@@H](O)C[N@H+](Cc2ccnc(N)c2)C1 ZINC000401925477 411911352 /nfs/dbraw/zinc/91/13/52/411911352.db2.gz YVRMXPXRNYYSRM-MWLCHTKSSA-N 1 0 221.304 0.867 10 0 BCAERO CC[C@@H](C[NH3+])C(=O)N1CCO[C@@H](C)C1 ZINC000044796235 170822344 /nfs/dbraw/zinc/82/23/44/170822344.db2.gz DQFVNALRSBQDLV-IUCAKERBSA-N 1 0 200.282 0.219 10 0 BCAERO CC(C)[N@@H+]1CCN[C@@H](c2c[nH]nc2N)C1 ZINC000616631585 411871678 /nfs/dbraw/zinc/87/16/78/411871678.db2.gz ADIPQSMPUBEVAZ-SECBINFHSA-N 1 0 209.297 0.347 10 0 BCAERO CN(C(=O)C1CCC([NH3+])CC1)[C@H]1CCOC1 ZINC000133812566 411965638 /nfs/dbraw/zinc/96/56/38/411965638.db2.gz QRBJELWGGRWKBI-ILDUYXDCSA-N 1 0 226.320 0.751 10 0 BCAERO CN(C(=O)C1CCC([NH3+])CC1)[C@@H]1CCOC1 ZINC000133812387 411966577 /nfs/dbraw/zinc/96/65/77/411966577.db2.gz QRBJELWGGRWKBI-VQXHTEKXSA-N 1 0 226.320 0.751 10 0 BCAERO CC[C@@H]([NH3+])Cn1nnc2ccccc2c1=O ZINC000050180503 170866624 /nfs/dbraw/zinc/86/66/24/170866624.db2.gz BLLSJOWONOLAHJ-MRVPVSSYSA-N 1 0 218.260 0.529 10 0 BCAERO Nc1c[nH+]c(N)nc1NC1CCCCC1 ZINC000575434358 411970460 /nfs/dbraw/zinc/97/04/60/411970460.db2.gz QPOMASVDYNRZLD-UHFFFAOYSA-N 1 0 207.281 0.808 10 0 BCAERO CC[C@@H]([NH2+]Cc1cccc2c1OCO2)C(N)=O ZINC000061676901 170902434 /nfs/dbraw/zinc/90/24/34/170902434.db2.gz LKKDIIUZNNZTDW-SECBINFHSA-N 1 0 236.271 0.769 10 0 BCAERO Nc1ccc([C@@H]2COCC[N@H+](CCO)C2)cn1 ZINC000616659153 411960931 /nfs/dbraw/zinc/96/09/31/411960931.db2.gz CNDKIEPSDXCEJB-NSHDSACASA-N 1 0 237.303 0.072 10 0 BCAERO Nc1ccc([C@@H]2CC[N@H+](CCO)CCO2)cn1 ZINC000616593212 411961332 /nfs/dbraw/zinc/96/13/32/411961332.db2.gz JVAXIXGAFGBVIP-NSHDSACASA-N 1 0 237.303 0.420 10 0 BCAERO Brc1ccc(N[C@@H]2CC[NH2+]C2)nn1 ZINC000575589590 412036825 /nfs/dbraw/zinc/03/68/25/412036825.db2.gz WJNXMDHKVANADN-ZCFIWIBFSA-N 1 0 243.108 1.013 10 0 BCAERO C[C@@H]1COC[C@H](C)N1C[C@@H]1C[NH2+]CCO1 ZINC000662254879 412050126 /nfs/dbraw/zinc/05/01/26/412050126.db2.gz BQUKXQAXVCFXCH-AXFHLTTASA-N 1 0 214.309 0.084 10 0 BCAERO CC[C@@H]1CCN(CCS(C)(=O)=O)CC[NH2+]1 ZINC000049660687 171012550 /nfs/dbraw/zinc/01/25/50/171012550.db2.gz BSADHQXGSCVFDO-SNVBAGLBSA-N 1 0 234.365 0.105 10 0 BCAERO CC[C@@H]1CCN([C@@H]2CCS(=O)(=O)C2)CC[NH2+]1 ZINC000049661248 171013379 /nfs/dbraw/zinc/01/33/79/171013379.db2.gz UGVCJBNGXGPXBQ-GHMZBOCLSA-N 1 0 246.376 0.247 10 0 BCAERO CC[C@@H]1CC[N@@H+]1CCNS(C)(=O)=O ZINC000336651008 171022395 /nfs/dbraw/zinc/02/23/95/171022395.db2.gz IZUKEGLUCZEHMZ-MRVPVSSYSA-N 1 0 206.311 0.020 10 0 BCAERO FC1(F)C[C@H]1OCCN[C@H]1CC[NH2+]C1 ZINC000662266363 412058646 /nfs/dbraw/zinc/05/86/46/412058646.db2.gz WTJIJOBMMRYPKJ-JGVFFNPUSA-N 1 0 206.236 0.362 10 0 BCAERO CC[C@@H]1CN(C2(C[NH3+])CCOCC2)CCO1 ZINC000036304966 171073466 /nfs/dbraw/zinc/07/34/66/171073466.db2.gz VMMVNLDNGXZHOZ-LLVKDONJSA-N 1 0 228.336 0.605 10 0 BCAERO CC[C@@H]1C[N@H+](CCCn2ccc(N)n2)CCO1 ZINC000071352020 171081805 /nfs/dbraw/zinc/08/18/05/171081805.db2.gz OPLFSGXZCWZYCM-LLVKDONJSA-N 1 0 238.335 0.966 10 0 BCAERO CC[C@@H]1C[NH2+][C@H](C)CN1[C@@H]1CCS(=O)(=O)C1 ZINC000083085084 171103002 /nfs/dbraw/zinc/10/30/02/171103002.db2.gz PVCBNXQTLHDQHN-GMTAPVOTSA-N 1 0 246.376 0.246 10 0 BCAERO CC[C@@H]1COCCN1C(=O)N1CC[NH2+]CC1 ZINC000036325997 171103948 /nfs/dbraw/zinc/10/39/48/171103948.db2.gz LQPVVUSLMLBXQA-SNVBAGLBSA-N 1 0 227.308 0.122 10 0 BCAERO CC[C@@H]1COCCN1C(=O)[C@](C)([NH3+])C1CC1 ZINC000037479093 171104124 /nfs/dbraw/zinc/10/41/24/171104124.db2.gz LSZBIGKRNDEDBD-ZYHUDNBSSA-N 1 0 226.320 0.751 10 0 BCAERO CC[C@@H]1COCCN1C(=O)[C@@](C)([NH3+])C1CC1 ZINC000037479095 171104724 /nfs/dbraw/zinc/10/47/24/171104724.db2.gz LSZBIGKRNDEDBD-PWSUYJOCSA-N 1 0 226.320 0.751 10 0 BCAERO CC[C@@H]1COCCN1Cc1cc(C[NH3+])no1 ZINC000052481543 171105036 /nfs/dbraw/zinc/10/50/36/171105036.db2.gz QPVVTTGWOULOLX-SNVBAGLBSA-N 1 0 225.292 0.744 10 0 BCAERO CC[C@@H]1COCC[N@@H+]1C[C@@H](C)C(=O)OC ZINC000036327063 171105991 /nfs/dbraw/zinc/10/59/91/171105991.db2.gz HBEMICHDOAJKDT-NXEZZACHSA-N 1 0 215.293 0.906 10 0 BCAERO CC[C@@](C)(O)CN[C@H](C)c1ncn(C)n1 ZINC000309212717 171186042 /nfs/dbraw/zinc/18/60/42/171186042.db2.gz TVQFIDDZUSTYAT-PSASIEDQSA-N 1 0 212.297 0.627 10 0 BCAERO CC[C@@]([NH3+])(C(=O)[O-])[C@H]1CCC[N@H+](C)C1 ZINC000082912548 171192431 /nfs/dbraw/zinc/19/24/31/171192431.db2.gz YYJHUXIXQHZMJU-WPRPVWTQSA-N 1 0 200.282 0.520 10 0 BCAERO CC[C@@]([NH3+])(C(=O)[O-])[C@@H]1CCC[N@H+](C)C1 ZINC000082912546 171193721 /nfs/dbraw/zinc/19/37/21/171193721.db2.gz YYJHUXIXQHZMJU-SCZZXKLOSA-N 1 0 200.282 0.520 10 0 BCAERO CC[C@@]1(C(=O)N2CCn3ccnc3C2)CCC[NH2+]1 ZINC000122100335 171196549 /nfs/dbraw/zinc/19/65/49/171196549.db2.gz AOGWMLPPQCYDMK-ZDUSSCGKSA-N 1 0 248.330 0.758 10 0 BCAERO CC[C@@]1(C(=O)N[C@H](C)CO)CCC[NH2+]C1 ZINC000062853655 171198113 /nfs/dbraw/zinc/19/81/13/171198113.db2.gz XFDRILKXOQNRMR-MWLCHTKSSA-N 1 0 214.309 0.263 10 0 BCAERO CC[C@@]1(C)NC(=O)N(C[C@@H](C)C[NH3+])C1=O ZINC000036677842 171209019 /nfs/dbraw/zinc/20/90/19/171209019.db2.gz GZPBULRNKFBEEY-OIBJUYFYSA-N 1 0 213.281 0.302 10 0 BCAERO CC[C@H](C(=O)N1C[C@@H](C)O[C@H](C)C1)[NH+](C)C ZINC000124412834 171226016 /nfs/dbraw/zinc/22/60/16/171226016.db2.gz SPEYOKMVXVWZAJ-GMTAPVOTSA-N 1 0 228.336 0.962 10 0 BCAERO CC[C@H](C)C[C@](CC)(C(N)=O)N1CC[NH2+]CC1 ZINC000037945593 171299345 /nfs/dbraw/zinc/29/93/45/171299345.db2.gz JEHBFRBQQRSEFM-WCQYABFASA-N 1 0 241.379 0.962 10 0 BCAERO CCc1nnc(CN(C)CC(C)(C)[NH3+])n1C ZINC000662295787 412085246 /nfs/dbraw/zinc/08/52/46/412085246.db2.gz UJSTZYSELBYRPR-UHFFFAOYSA-N 1 0 225.340 0.547 10 0 BCAERO CC[C@H](C)NC(=O)CC[NH2+]CCN(C)C ZINC000038014796 171322826 /nfs/dbraw/zinc/32/28/26/171322826.db2.gz XHULFJZWHVSAOI-JTQLQIEISA-N 1 0 215.341 0.442 10 0 BCAERO CC[C@H](C)NC(=O)[C@@H](C)[NH2+]CCOC ZINC000034938590 171333033 /nfs/dbraw/zinc/33/30/33/171333033.db2.gz VKQHZMGUVVAINJ-DTWKUNHWSA-N 1 0 202.298 0.526 10 0 BCAERO CC[C@H](C)NC(=O)[C@H](C)[NH2+]CCOC ZINC000034938592 171334435 /nfs/dbraw/zinc/33/44/35/171334435.db2.gz VKQHZMGUVVAINJ-IUCAKERBSA-N 1 0 202.298 0.526 10 0 BCAERO CC[C@H](C)[NH2+]CC(=O)N(CC(=O)OC)C(C)C ZINC000037812946 171339080 /nfs/dbraw/zinc/33/90/80/171339080.db2.gz VFQLVVJSVLVOLB-JTQLQIEISA-N 1 0 244.335 0.785 10 0 BCAERO CC[C@H](C)[NH2+]CC(=O)N[C@@H]1C[NH+]2CCC1CC2 ZINC000037394598 171339413 /nfs/dbraw/zinc/33/94/13/171339413.db2.gz NYBQKQQHRGCXGP-CMPLNLGQSA-N 1 0 239.363 0.585 10 0 BCAERO CC[C@H](C)[NH2+][C@@]1(CO)CN2CCC1CC2 ZINC000038116631 171347495 /nfs/dbraw/zinc/34/74/95/171347495.db2.gz YRKKGSBDRQFXNR-CMPLNLGQSA-N 1 0 212.337 0.831 10 0 BCAERO CC[C@H](C)SCC(=O)N1CC[NH2+]CC1 ZINC000043402957 171357279 /nfs/dbraw/zinc/35/72/79/171357279.db2.gz CPAUUOZWEQGSLE-VIFPVBQESA-N 1 0 216.350 0.950 10 0 BCAERO CC[C@H](C)[C@@H]([NH3+])C(=O)NCCC[C@@H](C)CO ZINC000226698274 171370688 /nfs/dbraw/zinc/37/06/88/171370688.db2.gz BGAMEXRPJXWDBQ-OUAUKWLOSA-N 1 0 230.352 0.885 10 0 BCAERO CC[C@H](C)[C@H]([NH3+])C(=O)N(CC)CCO ZINC000037809366 171394521 /nfs/dbraw/zinc/39/45/21/171394521.db2.gz AKIAXORMPLDEAG-IUCAKERBSA-N 1 0 202.298 0.201 10 0 BCAERO CC[C@H](C)[C@H]([NH3+])C(=O)N1CCC[C@@H]1C(=O)OC ZINC000037804235 171394565 /nfs/dbraw/zinc/39/45/65/171394565.db2.gz BASVVINIBFXIGN-AEJSXWLSSA-N 1 0 242.319 0.524 10 0 BCAERO CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H](C)[C@@H](CO)SC ZINC000226687055 171395529 /nfs/dbraw/zinc/39/55/29/171395529.db2.gz AHBIDRPNCMEUFF-QEYWKRMJSA-N 1 0 248.392 0.588 10 0 BCAERO CC[C@H](C[NH3+])C(=O)N1CCOC[C@H]1C ZINC000044801448 171429888 /nfs/dbraw/zinc/42/98/88/171429888.db2.gz XUIDYDMWOLPFIL-RKDXNWHRSA-N 1 0 200.282 0.219 10 0 BCAERO CC[C@H](C[NH3+])[C@H]1CCCS(=O)(=O)C1 ZINC000082379280 171430993 /nfs/dbraw/zinc/43/09/93/171430993.db2.gz QOPHIESYVGBUMQ-BDAKNGLRSA-N 1 0 205.323 0.796 10 0 BCAERO CC[C@H](CO)NC(=O)[C@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000035605104 171449526 /nfs/dbraw/zinc/44/95/26/171449526.db2.gz MILHNVGARJQSJA-WHOHXGKFSA-N 1 0 240.347 0.794 10 0 BCAERO CC[C@H](C[C@H]1CCS(=O)(=O)C1)[NH2+]C ZINC000038085368 171468838 /nfs/dbraw/zinc/46/88/38/171468838.db2.gz JSFFFXMFGGUIMH-RKDXNWHRSA-N 1 0 205.323 0.809 10 0 BCAERO CC[C@H]([NH2+]C)C(=O)NC[C@@H]1CCCC[C@H]1O ZINC000662490013 412190700 /nfs/dbraw/zinc/19/07/00/412190700.db2.gz ZRMRYGCOVYBMBL-GARJFASQSA-N 1 0 228.336 0.652 10 0 BCAERO CC[C@H](O)CCNC(=O)C[C@H]([NH3+])C(C)C ZINC000218845441 412193099 /nfs/dbraw/zinc/19/30/99/412193099.db2.gz FBENICKGWCYDMA-UWVGGRQHSA-N 1 0 216.325 0.637 10 0 BCAERO C[C@H](CCCCO)[NH2+][C@@H]1CCC(=O)N[C@@H]1C ZINC000309790229 487622533 /nfs/dbraw/zinc/62/25/33/487622533.db2.gz UHADWOPWDOGNSH-GMTAPVOTSA-N 1 0 228.336 0.794 10 0 BCAERO CC[C@H]([NH2+]C)C(=O)NC[C@H]1CCC[C@H]1O ZINC000662526602 412205928 /nfs/dbraw/zinc/20/59/28/412205928.db2.gz AWYHOVGTAWITOC-KXUCPTDWSA-N 1 0 214.309 0.262 10 0 BCAERO CC[C@H](O)CCNC(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000226331952 171559389 /nfs/dbraw/zinc/55/93/89/171559389.db2.gz JTZYOGUFVUNDKM-AXFHLTTASA-N 1 0 228.336 0.781 10 0 BCAERO CC(C)(F)CCNC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000662662849 412262157 /nfs/dbraw/zinc/26/21/57/412262157.db2.gz JMGPFYQTHSFLGN-JGVFFNPUSA-N 1 0 220.263 0.941 10 0 BCAERO CC(C)C(=O)Nc1ccn([C@H]2CC[NH2+]C2)n1 ZINC000390368525 412263856 /nfs/dbraw/zinc/26/38/56/412263856.db2.gz ZQQTZIABRUEYJO-VIFPVBQESA-N 1 0 222.292 1.012 10 0 BCAERO CC1CC(C(=O)N2CC3CC2(C[NH3+])C3)C1 ZINC000662677876 412267108 /nfs/dbraw/zinc/26/71/08/412267108.db2.gz AHVOOGXSOAXKJZ-UHFFFAOYSA-N 1 0 208.305 0.982 10 0 BCAERO N#Cc1ccc(N[C@@H](C[NH3+])C2CCCC2)nn1 ZINC000396959574 412274297 /nfs/dbraw/zinc/27/42/97/412274297.db2.gz FJKKVZWKNNBEGD-NSHDSACASA-N 1 0 231.303 1.278 10 0 BCAERO N#Cc1ccc(N[C@@H]2CCC[C@H]2C[NH3+])nn1 ZINC000397044817 412274478 /nfs/dbraw/zinc/27/44/78/412274478.db2.gz NSZTWSQYBVJRIV-WCBMZHEXSA-N 1 0 217.276 0.888 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC[C@H]2C[C@H]2C1 ZINC000662705296 412277249 /nfs/dbraw/zinc/27/72/49/412277249.db2.gz NXCWTTWJHHBJFF-VPOLOUISSA-N 1 0 208.305 0.710 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N1CCC[C@@H](C2CCC2)C1 ZINC000662712182 412279363 /nfs/dbraw/zinc/27/93/63/412279363.db2.gz DYIKEJXYHXPIGA-VXGBXAGGSA-N 1 0 240.347 0.999 10 0 BCAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662723912 412284607 /nfs/dbraw/zinc/28/46/07/412284607.db2.gz JQSCXYHICAVJGV-IJLUTSLNSA-N 1 0 239.363 0.666 10 0 BCAERO C[NH2+][C@H](C)C(=O)NC[C@@H](C)c1ccccn1 ZINC000662604640 412235847 /nfs/dbraw/zinc/23/58/47/412235847.db2.gz FVLMNAPUUNLACM-NXEZZACHSA-N 1 0 221.304 0.909 10 0 BCAERO C[C@@H](CN[C@H]1CCC[NH2+]CC1)S(C)(=O)=O ZINC000665299845 412248109 /nfs/dbraw/zinc/24/81/09/412248109.db2.gz UICXXRFQTXHVLX-UWVGGRQHSA-N 1 0 234.365 0.151 10 0 BCAERO C[C@H](CN[C@@H]1CCC[NH2+]CC1)S(C)(=O)=O ZINC000665299844 412248560 /nfs/dbraw/zinc/24/85/60/412248560.db2.gz UICXXRFQTXHVLX-NXEZZACHSA-N 1 0 234.365 0.151 10 0 BCAERO CCn1ccc(NC(=O)[C@H]2C[C@H](F)C[NH2+]2)n1 ZINC000662642099 412253766 /nfs/dbraw/zinc/25/37/66/412253766.db2.gz RYWPQAXXTDIYBH-JGVFFNPUSA-N 1 0 226.255 0.542 10 0 BCAERO CC(C)[C@H]([NH3+])CNc1ccc(C#N)nn1 ZINC000396994367 412316012 /nfs/dbraw/zinc/31/60/12/412316012.db2.gz DGNUJMCBAFXPBL-SECBINFHSA-N 1 0 205.265 0.743 10 0 BCAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)NCCOCCF ZINC000663002685 412366517 /nfs/dbraw/zinc/36/65/17/412366517.db2.gz GWZILPNREJNOGP-RKDXNWHRSA-N 1 0 220.288 0.462 10 0 BCAERO CC[C@H]1C[NH+]=C(c2ccc(N)c(N)c2)N1 ZINC000039100936 171668116 /nfs/dbraw/zinc/66/81/16/171668116.db2.gz PGIVMHQIYNZJOX-QMMMGPOBSA-N 1 0 204.277 0.979 10 0 BCAERO C[C@@H]1CCN(C(=O)[C@@H]2C[NH2+]CCOC2)[C@H](C)C1 ZINC000662849378 412321544 /nfs/dbraw/zinc/32/15/44/412321544.db2.gz KHNNGTUUZZULFM-IJLUTSLNSA-N 1 0 240.347 0.869 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)N[C@@H](CO)C1CCC1 ZINC000662848966 412321896 /nfs/dbraw/zinc/32/18/96/412321896.db2.gz IXZXHLRHJKJRHE-ZJUUUORDSA-N 1 0 214.309 0.391 10 0 BCAERO C[C@@]1(C(=O)NC/C=C/CO)CCCC[NH2+]1 ZINC000662856020 412325324 /nfs/dbraw/zinc/32/53/24/412325324.db2.gz MCESVAPMMADZRW-ZWNMCFTASA-N 1 0 212.293 0.183 10 0 BCAERO O=C(C[C@H]1CCC[NH2+]C1)N[C@@H](CO)C1CCC1 ZINC000662855738 412325815 /nfs/dbraw/zinc/32/58/15/412325815.db2.gz ZEJAVZKHXQFKDK-PWSUYJOCSA-N 1 0 240.347 0.653 10 0 BCAERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)NC/C=C\CO ZINC000662860898 412328426 /nfs/dbraw/zinc/32/84/26/412328426.db2.gz VDVUBOFKFPPBEG-YLBDSCSXSA-N 1 0 212.293 0.039 10 0 BCAERO O=C(NC[C@@H]1CCC[C@@H]2C[C@@H]21)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000662873889 412331800 /nfs/dbraw/zinc/33/18/00/412331800.db2.gz SMUDYZTWJWDPSR-CSYMLDBXSA-N 1 0 238.331 0.262 10 0 BCAERO CC1(C)C[C@]1(C)NC(=O)[C@H]1C[NH2+]CCOC1 ZINC000662917606 412342184 /nfs/dbraw/zinc/34/21/84/412342184.db2.gz VYKAYEOWCPPFNH-CABZTGNLSA-N 1 0 226.320 0.527 10 0 BCAERO O=C([C@@H]1C[NH2+]CCOC1)N1CC[C@@H]2C[C@@H]2C1 ZINC000662913856 412343289 /nfs/dbraw/zinc/34/32/89/412343289.db2.gz NPSGQTDDRUVQKU-GMTAPVOTSA-N 1 0 224.304 0.091 10 0 BCAERO CCC[NH2+]CCNc1ccc(C#N)nn1 ZINC000397044922 412357406 /nfs/dbraw/zinc/35/74/06/412357406.db2.gz NYLKHHXRDPXGSV-UHFFFAOYSA-N 1 0 205.265 0.760 10 0 BCAERO CC[C@]1(CN(CCOC)CCOC)CC[NH2+]C1 ZINC000062911595 171722825 /nfs/dbraw/zinc/72/28/25/171722825.db2.gz OJYYQODPKGJWCN-ZDUSSCGKSA-N 1 0 244.379 0.971 10 0 BCAERO CN(C(=O)c1ccon1)[C@@H](C[NH3+])C(F)(F)F ZINC000662975484 412361977 /nfs/dbraw/zinc/36/19/77/412361977.db2.gz HYFCBEFSEGZTPW-LURJTMIESA-N 1 0 237.181 0.636 10 0 BCAERO CN(C(=O)C1CC1)[C@@H](C[NH3+])C(F)(F)F ZINC000662975142 412362069 /nfs/dbraw/zinc/36/20/69/412362069.db2.gz GCGRSONLPNBCMU-LURJTMIESA-N 1 0 210.199 0.744 10 0 BCAERO COCCC(=O)N(C)[C@H](C[NH3+])C(F)(F)F ZINC000662980149 412363024 /nfs/dbraw/zinc/36/30/24/412363024.db2.gz ODQOJLDWGOUZTN-ZCFIWIBFSA-N 1 0 228.214 0.371 10 0 BCAERO C[NH2+]CCOCCNc1cc(C)ncn1 ZINC000630531669 412292633 /nfs/dbraw/zinc/29/26/33/412292633.db2.gz YFYNLMRBWUREHH-UHFFFAOYSA-N 1 0 210.281 0.433 10 0 BCAERO [NH3+]C1(CNc2ccc3nncn3n2)CCCCC1 ZINC000420117296 412297951 /nfs/dbraw/zinc/29/79/51/412297951.db2.gz HGWSNVWUFNTJRN-UHFFFAOYSA-N 1 0 246.318 1.198 10 0 BCAERO C[NH2+][C@H](C)CNC(=O)c1c(Cl)cnn1C ZINC000662775344 412299121 /nfs/dbraw/zinc/29/91/21/412299121.db2.gz XTAVLQIBLMWMNZ-ZCFIWIBFSA-N 1 0 230.699 0.411 10 0 BCAERO [NH3+]CCNC(=O)Nc1noc2ccccc21 ZINC000584612975 412299566 /nfs/dbraw/zinc/29/95/66/412299566.db2.gz BYVTXLBSQYKMPU-UHFFFAOYSA-N 1 0 220.232 0.908 10 0 BCAERO CC(C)(C)[C@H](O)CNC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662789401 412302950 /nfs/dbraw/zinc/30/29/50/412302950.db2.gz AWNDIQBTPNAHPT-IWSPIJDZSA-N 1 0 214.309 0.247 10 0 BCAERO O=C1NCCC[C@H]1[NH2+]Cc1ccc(CO)cc1 ZINC000133069278 412395563 /nfs/dbraw/zinc/39/55/63/412395563.db2.gz WGJNBAOFDAPFQJ-GFCCVEGCSA-N 1 0 234.299 0.547 10 0 BCAERO CC(C)[C@H]([NH3+])CCNc1ccc(C(N)=O)nn1 ZINC000663276137 412405483 /nfs/dbraw/zinc/40/54/83/412405483.db2.gz LVAVVOJJCZDTDY-MRVPVSSYSA-N 1 0 237.307 0.361 10 0 BCAERO C[NH2+]C[C@H](C)Nc1nc(OC)cc(OC)n1 ZINC000663278568 412407539 /nfs/dbraw/zinc/40/75/39/412407539.db2.gz JWBDNNZFXPYPRH-ZETCQYMHSA-N 1 0 226.280 0.514 10 0 BCAERO CCc1nc([C@@H](CC)N2CC[NH2+]CC2)no1 ZINC000070996327 172002866 /nfs/dbraw/zinc/00/28/66/172002866.db2.gz RRHNDECAWBSTMH-SECBINFHSA-N 1 0 224.308 0.988 10 0 BCAERO CCn1c(C)nnc1[C@H](C)N1CC[NH2+]CC1 ZINC000051658868 172142136 /nfs/dbraw/zinc/14/21/36/172142136.db2.gz AAWHTDIQWMXYQX-VIFPVBQESA-N 1 0 223.324 0.573 10 0 BCAERO CCn1c2ccccc2nc1C[C@@H](O)C[NH3+] ZINC000076165946 172145161 /nfs/dbraw/zinc/14/51/61/172145161.db2.gz SUEGOGYLMOEOLD-SECBINFHSA-N 1 0 219.288 0.918 10 0 BCAERO CCn1c(=O)[nH]nc1SC[C@@H]1CCC[NH2+]C1 ZINC000061606986 172148099 /nfs/dbraw/zinc/14/80/99/172148099.db2.gz UTIDDLAGGQJBOM-MRVPVSSYSA-N 1 0 242.348 0.683 10 0 BCAERO CCn1cc(C[NH2+][C@H]2CCC(=O)N[C@H]2C)cn1 ZINC000282224011 172175892 /nfs/dbraw/zinc/17/58/92/172175892.db2.gz FCLPGJCJWPSVCC-ONGXEEELSA-N 1 0 236.319 0.660 10 0 BCAERO CCn1cc(C[C@@H]([NH3+])c2cnccn2)cn1 ZINC000050542532 172177497 /nfs/dbraw/zinc/17/74/97/172177497.db2.gz YZHAJAMZEXLPDB-SNVBAGLBSA-N 1 0 217.276 0.936 10 0 BCAERO CCn1ccnc(N(C)CC[NH2+]C(C)C)c1=O ZINC000061795504 172210770 /nfs/dbraw/zinc/21/07/70/172210770.db2.gz KHWUYVXZTQWXOE-UHFFFAOYSA-N 1 0 238.335 0.697 10 0 BCAERO CCn1ccnc(OC[C@H]2CC[NH2+]C2)c1=O ZINC000061771925 172212832 /nfs/dbraw/zinc/21/28/32/172212832.db2.gz ABOUDKZXDCOUJW-VIFPVBQESA-N 1 0 223.276 0.252 10 0 BCAERO CCn1ccnc(OC2CCC([NH3+])CC2)c1=O ZINC000061771979 172212883 /nfs/dbraw/zinc/21/28/83/172212883.db2.gz OKLBNFGBUGPFLN-UHFFFAOYSA-N 1 0 237.303 0.912 10 0 BCAERO CCn1cc[nH+]c1N[C@H]1CCS(=O)(=O)C1 ZINC000050608307 172228561 /nfs/dbraw/zinc/22/85/61/172228561.db2.gz AKALFIZWMVIGAC-QMMMGPOBSA-N 1 0 229.305 0.502 10 0 BCAERO CN(C(=O)C(=O)N1CC[NH2+]CC1)c1ccccc1 ZINC000019977841 172293028 /nfs/dbraw/zinc/29/30/28/172293028.db2.gz WBAHHKPJNSMCQF-UHFFFAOYSA-N 1 0 247.298 0.081 10 0 BCAERO CN(C(=O)C[NH2+]C1CCOCC1)C1CC1 ZINC000049304960 172309843 /nfs/dbraw/zinc/30/98/43/172309843.db2.gz RRPJZDSKTLVFQM-UHFFFAOYSA-N 1 0 212.293 0.376 10 0 BCAERO CN(C(=O)[C@@H]1CCCO1)C(C)(C)C[NH3+] ZINC000082638757 172327594 /nfs/dbraw/zinc/32/75/94/172327594.db2.gz GFUVUFAQEMZJRK-QMMMGPOBSA-N 1 0 200.282 0.361 10 0 BCAERO CN(C(=O)[C@H]1CSC(=O)N1)C1CC[NH2+]CC1 ZINC000036282947 172334546 /nfs/dbraw/zinc/33/45/46/172334546.db2.gz QGQPHUGBALVJLG-MRVPVSSYSA-N 1 0 243.332 0.022 10 0 BCAERO CN(C(=O)[C@H]1COc2ccccc2C1)C1C[NH2+]C1 ZINC000090289704 172335042 /nfs/dbraw/zinc/33/50/42/172335042.db2.gz HIGFUHYGDXICCQ-LLVKDONJSA-N 1 0 246.310 0.668 10 0 BCAERO CN(C(=O)c1ccccc1)[C@@H]1C[NH2+]C[C@H]1O ZINC000036261121 172342058 /nfs/dbraw/zinc/34/20/58/172342058.db2.gz TVFSOKADPTWJQB-GHMZBOCLSA-N 1 0 220.272 0.091 10 0 BCAERO CN(C(=O)c1ccccc1)[C@H]1C[NH2+]C[C@@H]1O ZINC000077453562 172342150 /nfs/dbraw/zinc/34/21/50/172342150.db2.gz TVFSOKADPTWJQB-QWRGUYRKSA-N 1 0 220.272 0.091 10 0 BCAERO CN(C(=O)c1cccs1)[C@@H]1C[NH2+]C[C@H]1O ZINC000036261157 172344391 /nfs/dbraw/zinc/34/43/91/172344391.db2.gz QTWPXNGSYYSKRO-HTQZYQBOSA-N 1 0 226.301 0.153 10 0 BCAERO CN(C(=O)c1cnns1)C1CC[NH2+]CC1 ZINC000036282816 172347891 /nfs/dbraw/zinc/34/78/91/172347891.db2.gz MYVIEZDHBUWWNB-UHFFFAOYSA-N 1 0 226.305 0.362 10 0 BCAERO CN(C)C(=O)CCNC(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000055089229 172359189 /nfs/dbraw/zinc/35/91/89/172359189.db2.gz BYNFLZVBIKGGAX-VHSXEESVSA-N 1 0 241.335 0.098 10 0 BCAERO CN(C)C(=O)CCO[C@@H]1CCC[NH2+]C1 ZINC000037898112 172361612 /nfs/dbraw/zinc/36/16/12/172361612.db2.gz BBDPNFMSBGHGDC-SECBINFHSA-N 1 0 200.282 0.233 10 0 BCAERO CN(C)C(=O)CN(C)C(=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC000055087145 172362424 /nfs/dbraw/zinc/36/24/24/172362424.db2.gz LZTKRLLPEVBXBN-UWVGGRQHSA-N 1 0 241.335 0.051 10 0 BCAERO CN(C)C(=O)CN(C)c1ncccc1C[NH3+] ZINC000037269544 172364272 /nfs/dbraw/zinc/36/42/72/172364272.db2.gz LFDOBASDMFGSDH-UHFFFAOYSA-N 1 0 222.292 0.065 10 0 BCAERO CN(C)C(=O)C[NH2+]CC1CCOCC1 ZINC000052172031 172370508 /nfs/dbraw/zinc/37/05/08/172370508.db2.gz ROCPWYWFXIUUSA-UHFFFAOYSA-N 1 0 200.282 0.091 10 0 BCAERO CN(C)C(=O)C[NH2+]CC1(O)CCCCC1 ZINC000037886593 172370141 /nfs/dbraw/zinc/37/01/41/172370141.db2.gz UGCCVXPRGOSZPZ-UHFFFAOYSA-N 1 0 214.309 0.359 10 0 BCAERO CN(C)C(=O)C[NH2+][C@H]1CCCCC[C@H]1O ZINC000037886639 172371907 /nfs/dbraw/zinc/37/19/07/172371907.db2.gz LKSURRHVEXGGQG-VHSXEESVSA-N 1 0 214.309 0.358 10 0 BCAERO CN(C)C(=O)Cn1ccc2c1CCC[C@H]2[NH3+] ZINC000041729958 172375331 /nfs/dbraw/zinc/37/53/31/172375331.db2.gz JNJYGTLBCNAAMG-SNVBAGLBSA-N 1 0 221.304 0.912 10 0 BCAERO CN(C)C(=O)Cn1cc2c(n1)[C@@H]([NH3+])CCC2 ZINC000095829555 172375743 /nfs/dbraw/zinc/37/57/43/172375743.db2.gz QJUITFQNUXABPM-VIFPVBQESA-N 1 0 222.292 0.307 10 0 BCAERO CN(C)C(=O)[C@@H](C[NH3+])CC1CCOCC1 ZINC000052175785 172383906 /nfs/dbraw/zinc/38/39/06/172383906.db2.gz JDEIHHLVUFHRLG-SNVBAGLBSA-N 1 0 214.309 0.466 10 0 BCAERO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCF ZINC000120095723 172386697 /nfs/dbraw/zinc/38/66/97/172386697.db2.gz UDUUKEZOBKUFGE-SECBINFHSA-N 1 0 202.273 0.899 10 0 BCAERO CN(C)C(=O)c1cc(N[C@@H]2C[C@@H]2[NH3+])ccn1 ZINC000036267874 172388255 /nfs/dbraw/zinc/38/82/55/172388255.db2.gz CBFGHSCGTOOOLU-DTWKUNHWSA-N 1 0 220.276 0.295 10 0 BCAERO CN(C)C(=O)c1ccc(CN2CC[NH2+]CC2)cc1 ZINC000040539074 172389572 /nfs/dbraw/zinc/38/95/72/172389572.db2.gz YXIHWIGMLSQMTF-UHFFFAOYSA-N 1 0 247.342 0.794 10 0 BCAERO C[NH+](C)CCCOc1ccc2c(c1)NC(=O)[C@H]2N ZINC000103927327 172445520 /nfs/dbraw/zinc/44/55/20/172445520.db2.gz MKWAYZKGGXKSBB-LBPRGKRZSA-N 1 0 249.314 0.969 10 0 BCAERO CN(C1CC1)S(=O)(=O)C[C@H]1CCC[NH2+]C1 ZINC000049642875 172593637 /nfs/dbraw/zinc/59/36/37/172593637.db2.gz YOHUDFVDCATLKY-VIFPVBQESA-N 1 0 232.349 0.410 10 0 BCAERO CN(CC(=O)N1CCCC1)[C@@H]1CCC[C@@H]1[NH3+] ZINC000042489239 172605194 /nfs/dbraw/zinc/60/51/94/172605194.db2.gz BMQNAARBLHZVDG-WDEREUQCSA-N 1 0 225.336 0.420 10 0 BCAERO CN(CC(=O)c1cnccn1)C1CC[NH2+]CC1 ZINC000095070707 172619525 /nfs/dbraw/zinc/61/95/25/172619525.db2.gz KVGJEHGUDHSUGA-UHFFFAOYSA-N 1 0 234.303 0.343 10 0 BCAERO CN(CC[NH2+]C1CC1)c1ncnc2c1cnn2C ZINC000053707102 172743980 /nfs/dbraw/zinc/74/39/80/172743980.db2.gz VRRIOYHZKWGVQQ-UHFFFAOYSA-N 1 0 246.318 0.552 10 0 BCAERO CN(CCO)c1ccc(C(N)=[NH2+])cc1F ZINC000037899386 172760944 /nfs/dbraw/zinc/76/09/44/172760944.db2.gz VRGJYFVMFGYUHN-UHFFFAOYSA-N 1 0 211.240 0.538 10 0 BCAERO CN(CCOCC1CC1)C(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000094988381 172762702 /nfs/dbraw/zinc/76/27/02/172762702.db2.gz AXTJMFOVOLEDPC-VXGBXAGGSA-N 1 0 240.347 0.999 10 0 BCAERO CN1C(=O)CC[C@@H]([NH2+][C@H]2CCC2(C)C)C1=O ZINC000309291471 172961128 /nfs/dbraw/zinc/96/11/28/172961128.db2.gz JTAFLFMHVBENDN-BDAKNGLRSA-N 1 0 224.304 0.912 10 0 BCAERO C[NH+]1CCC2(CC[N@H+](CC(=O)[O-])C2)CC1 ZINC000095075649 173001577 /nfs/dbraw/zinc/00/15/77/173001577.db2.gz XYKIOZCJPYBCQF-UHFFFAOYSA-N 1 0 212.293 0.489 10 0 BCAERO C[N@@H+]1CCC2(C1)CC[NH+](CC(=O)[O-])CC2 ZINC000095075613 173003532 /nfs/dbraw/zinc/00/35/32/173003532.db2.gz QQGISPDPXVGCTN-UHFFFAOYSA-N 1 0 212.293 0.489 10 0 BCAERO CN1CCCC[C@@H]1C[NH2+]CCN1CCOCC1 ZINC000044562686 173004503 /nfs/dbraw/zinc/00/45/03/173004503.db2.gz PKUMDBLXDBBTOP-CYBMUJFWSA-N 1 0 241.379 0.393 10 0 BCAERO CN1CCCC[C@H]1C[NH2+]C(C)(C)C(N)=O ZINC000054243467 173010668 /nfs/dbraw/zinc/01/06/68/173010668.db2.gz HKVSFHNYIRHJLU-VIFPVBQESA-N 1 0 213.325 0.324 10 0 BCAERO CN1CCN(C(=O)OC(C)(C)C)[C@H](C[NH3+])C1 ZINC000082348637 173069230 /nfs/dbraw/zinc/06/92/30/173069230.db2.gz KQQCWBGPQUEVTQ-SECBINFHSA-N 1 0 229.324 0.496 10 0 BCAERO CN1CC[N@H+](CCC(N)=O)[C@H](c2ccccc2)C1 ZINC000048323243 173079076 /nfs/dbraw/zinc/07/90/76/173079076.db2.gz FIEXKDYLHQIOGU-ZDUSSCGKSA-N 1 0 247.342 0.851 10 0 BCAERO C[N@@H+]1CCN(CCn2ccc(N)n2)CC1(C)C ZINC000104135825 173081786 /nfs/dbraw/zinc/08/17/86/173081786.db2.gz PIQQVOJDDIBENO-UHFFFAOYSA-N 1 0 237.351 0.491 10 0 BCAERO C[NH+]1CCN(CCOC(=O)c2ccncc2)CC1 ZINC000019368509 173083612 /nfs/dbraw/zinc/08/36/12/173083612.db2.gz ULWZVDDCXAAYEO-UHFFFAOYSA-N 1 0 249.314 0.486 10 0 BCAERO C[NH+]1CCN(Cc2cccc(N)n2)CC1 ZINC000086115132 173087984 /nfs/dbraw/zinc/08/79/84/173087984.db2.gz VCVJDLRETCDBJU-UHFFFAOYSA-N 1 0 206.293 0.411 10 0 BCAERO CN1CCN([C@H](C[NH3+])c2ccccn2)CC1 ZINC000019385152 173094267 /nfs/dbraw/zinc/09/42/67/173094267.db2.gz DYBQAAHRLMQXJU-GFCCVEGCSA-N 1 0 220.320 0.329 10 0 BCAERO CN1CCN(c2nc(C[NH3+])cs2)CC1 ZINC000070628755 173094344 /nfs/dbraw/zinc/09/43/44/173094344.db2.gz SALGQWLVQVNWPU-UHFFFAOYSA-N 1 0 212.322 0.354 10 0 BCAERO CN1CCN([C@]2(C[NH3+])CCCSC2)CC1 ZINC000061589840 173094919 /nfs/dbraw/zinc/09/49/19/173094919.db2.gz JBGPGOFPVYVHNQ-NSHDSACASA-N 1 0 229.393 0.458 10 0 BCAERO CN1CCO[C@H](C[NH2+]CCc2ccccn2)C1 ZINC000069589992 173107806 /nfs/dbraw/zinc/10/78/06/173107806.db2.gz YOIFDEDFPBIHQJ-CYBMUJFWSA-N 1 0 235.331 0.544 10 0 BCAERO CN1CCO[C@H](C[NH2+]CC2=CCCOC2)C1 ZINC000124699469 173108378 /nfs/dbraw/zinc/10/83/78/173108378.db2.gz JVKQHGVOKYEJKA-GFCCVEGCSA-N 1 0 226.320 0.253 10 0 BCAERO CN1CC[C@@H]([NH3+])[C@@H]1CNC(=O)OC(C)(C)C ZINC000082348642 173118988 /nfs/dbraw/zinc/11/89/88/173118988.db2.gz ULTKJBKKWUIQQU-BDAKNGLRSA-N 1 0 229.324 0.543 10 0 BCAERO CN1CC[C@@H]([N@@H+]2CCC[C@H](c3nnc[nH]3)C2)C1=O ZINC000328635538 173119469 /nfs/dbraw/zinc/11/94/69/173119469.db2.gz CCJMNFKCGWWCNY-VHSXEESVSA-N 1 0 249.318 0.215 10 0 BCAERO Cn1cc([C@H]2CC[N@@H+]([C@@H]3CCN(C)C3=O)C2)cn1 ZINC000116311664 173119714 /nfs/dbraw/zinc/11/97/14/173119714.db2.gz GJVCEVFRNBNQFN-CMPLNLGQSA-N 1 0 248.330 0.440 10 0 BCAERO C[N@@H+]1CC[C@@H](NC(=O)c2cc(N)c[nH]2)C1 ZINC000042543605 173122318 /nfs/dbraw/zinc/12/23/18/173122318.db2.gz JHEFKLFXIPLDKY-MRVPVSSYSA-N 1 0 208.265 0.031 10 0 BCAERO C[N@@H+]1CC[C@@H](NC(=O)c2cccnc2N)C1 ZINC000050709097 173124296 /nfs/dbraw/zinc/12/42/96/173124296.db2.gz XSPCVQPKKNGHKJ-MRVPVSSYSA-N 1 0 220.276 0.098 10 0 BCAERO C[N@@H+]1CC[C@@H](Nc2ccc(-n3cncn3)nc2)C1 ZINC000061985487 173126143 /nfs/dbraw/zinc/12/61/43/173126143.db2.gz VNJQZIVROXMHQX-LLVKDONJSA-N 1 0 244.302 0.778 10 0 BCAERO CN1CC[C@@](C[NH3+])(c2cccs2)C1=O ZINC000077304137 173134829 /nfs/dbraw/zinc/13/48/29/173134829.db2.gz FKBXYSXTQMVSTL-SNVBAGLBSA-N 1 0 210.302 0.807 10 0 BCAERO CN1CC[C@@](CO)([NH2+]Cc2ccccc2)C1 ZINC000061992076 173136073 /nfs/dbraw/zinc/13/60/73/173136073.db2.gz XBAWTYVQNNXNHJ-CYBMUJFWSA-N 1 0 220.316 0.843 10 0 BCAERO C[N@@H+]1CC[C@@](NCc2cccs2)(C(N)=O)C1 ZINC000061991069 173136551 /nfs/dbraw/zinc/13/65/51/173136551.db2.gz LTOXVXDQSXYGTD-NSHDSACASA-N 1 0 239.344 0.397 10 0 BCAERO CN(Cc1ccco1)[C@]1(C[NH3+])CCN(C)C1 ZINC000061990238 173136715 /nfs/dbraw/zinc/13/67/15/173136715.db2.gz SMYZHTMDPJLQMJ-LBPRGKRZSA-N 1 0 223.320 0.744 10 0 BCAERO C[N@@H+]1CC[C@@](O)(c2ccc3c(c2)OCCO3)C1 ZINC000061987156 173138340 /nfs/dbraw/zinc/13/83/40/173138340.db2.gz LJALZOMHEJNQLA-ZDUSSCGKSA-N 1 0 235.283 0.981 10 0 BCAERO C[N@@H+]1CC[C@H](CNCc2csnn2)C1 ZINC000037484832 173147007 /nfs/dbraw/zinc/14/70/07/173147007.db2.gz JRFPZTFMZCKASG-MRVPVSSYSA-N 1 0 212.322 0.579 10 0 BCAERO CN1CC[C@H](C[NH2+]C2CCS(=O)CC2)C1 ZINC000042353645 173147262 /nfs/dbraw/zinc/14/72/62/173147262.db2.gz DVOONZXAQMASAC-RWWNRMGGSA-N 1 0 230.377 0.439 10 0 BCAERO CN1CC[C@H]([N@H+](C)[C@H]2CCC[C@@H]2O)C1=O ZINC000352661901 173149199 /nfs/dbraw/zinc/14/91/99/173149199.db2.gz ZOVPQFCMSOLQRR-GUBZILKMSA-N 1 0 212.293 0.062 10 0 BCAERO CN1CC[C@H]([NH2+]CCN2CCCCC2)C1 ZINC000061989657 173152165 /nfs/dbraw/zinc/15/21/65/173152165.db2.gz YIOVJBWBEOSTSD-LBPRGKRZSA-N 1 0 211.353 0.766 10 0 BCAERO CN1CCc2sc([C@@H]([NH3+])CO)nc2C1 ZINC000076136131 173175812 /nfs/dbraw/zinc/17/58/12/173175812.db2.gz XFKKKICAOAFGQB-LURJTMIESA-N 1 0 213.306 0.123 10 0 BCAERO CN1CC[C@H]([NH2+]CCc2ccncc2)C1 ZINC000042546867 173153362 /nfs/dbraw/zinc/15/33/62/173153362.db2.gz BFVMUIRCRPYGNC-LBPRGKRZSA-N 1 0 205.305 0.918 10 0 BCAERO C[N@@H+]1CC[C@H](Nc2ccc(C(N)=S)cn2)C1 ZINC000042549321 173154155 /nfs/dbraw/zinc/15/41/55/173154155.db2.gz XODKWPUJPWDHAB-VIFPVBQESA-N 1 0 236.344 0.832 10 0 BCAERO C[N@@H+]1CC[C@H](NC2N=NC(=S)S2)C1 ZINC000042548283 173156234 /nfs/dbraw/zinc/15/62/34/173156234.db2.gz VEHBGYLBTWLOHL-YFKPBYRVSA-N 1 0 216.335 0.943 10 0 BCAERO C[N@@H+]1CC[C@H](n2ncc(Cl)c2N)C1 ZINC000061989954 173157221 /nfs/dbraw/zinc/15/72/21/173157221.db2.gz LLVPYNFZNURLKE-LURJTMIESA-N 1 0 200.673 0.995 10 0 BCAERO C[N@@H+]1CC[C@](NCc2ccccc2)(C(N)=O)C1 ZINC000061990958 173162727 /nfs/dbraw/zinc/16/27/27/173162727.db2.gz XJIMSNMZUVXLCN-CYBMUJFWSA-N 1 0 233.315 0.336 10 0 BCAERO C[N@@H+]1CCn2c(Br)nnc2C1 ZINC000075842607 173177007 /nfs/dbraw/zinc/17/70/07/173177007.db2.gz XQLPVHCIKYBCEX-UHFFFAOYSA-N 1 0 217.070 0.486 10 0 BCAERO CN1C[C@H](O)C[C@H]1C[NH2+]C1CCSCC1 ZINC000334177845 173195935 /nfs/dbraw/zinc/19/59/35/173195935.db2.gz COISWBGATHWXQE-WDEREUQCSA-N 1 0 230.377 0.537 10 0 BCAERO CN1C[C@H]([NH2+][C@@H]2[C@H]3CCO[C@@H]3C2(C)C)CC1=O ZINC000310568812 173196428 /nfs/dbraw/zinc/19/64/28/173196428.db2.gz YOEWVYWPWAMOLN-IQIPOGNMSA-N 1 0 238.331 0.620 10 0 BCAERO CNC(=O)C1CC[NH+](Cc2ccnc(N)c2)CC1 ZINC000052728961 173224424 /nfs/dbraw/zinc/22/44/24/173224424.db2.gz RIIZANBJMCVHRQ-UHFFFAOYSA-N 1 0 248.330 0.622 10 0 BCAERO CNC(=O)CCNC(=O)[C@H]1C[C@H]([NH3+])CC[C@@H]1C ZINC000055140277 173258946 /nfs/dbraw/zinc/25/89/46/173258946.db2.gz VMBCAHWHNIMNKT-AEJSXWLSSA-N 1 0 241.335 0.002 10 0 BCAERO CNC(=O)CN(C)c1ccc(F)cc1C[NH3+] ZINC000037271280 173271952 /nfs/dbraw/zinc/27/19/52/173271952.db2.gz XPWOHBFKVYTUPN-UHFFFAOYSA-N 1 0 225.267 0.467 10 0 BCAERO CNC(=O)CN(C)c1cccc(C[NH3+])c1 ZINC000061951282 173272511 /nfs/dbraw/zinc/27/25/11/173272511.db2.gz YMSXNQCOTOXXNB-UHFFFAOYSA-N 1 0 207.277 0.328 10 0 BCAERO CNC(=O)C[NH2+][C@@H](C)C(=O)NC1CCCCC1 ZINC000037207081 173277463 /nfs/dbraw/zinc/27/74/63/173277463.db2.gz MUEMLBBTRGSKOA-VIFPVBQESA-N 1 0 241.335 0.159 10 0 BCAERO CNC(=O)C[NH2+]Cc1cc(C)n(C)c1C ZINC000052789822 173277504 /nfs/dbraw/zinc/27/75/04/173277504.db2.gz NNGWTBQYYVXSLA-UHFFFAOYSA-N 1 0 209.293 0.478 10 0 BCAERO CNC(=O)CN[C@@H](C)[C@@H]1CCC[N@H+](C)C1 ZINC000037224638 173277724 /nfs/dbraw/zinc/27/77/24/173277724.db2.gz ZMPNSWAFDMOSMO-VHSXEESVSA-N 1 0 213.325 0.052 10 0 BCAERO CNC(=O)C[NH2+][C@@H]1CCOc2ccccc21 ZINC000084585614 173277851 /nfs/dbraw/zinc/27/78/51/173277851.db2.gz OWRICFYAQDYOFH-SNVBAGLBSA-N 1 0 220.272 0.846 10 0 BCAERO CNC(=O)[C@@H](C)[NH2+]C[C@@H](O)c1cccc(F)c1 ZINC000042562699 173295094 /nfs/dbraw/zinc/29/50/94/173295094.db2.gz UYKVDHMKLBPPRW-LDYMZIIASA-N 1 0 240.278 0.583 10 0 BCAERO CNC(=O)[C@@H](C)OC[C@@H]1CCCC[NH2+]1 ZINC000051815781 173295927 /nfs/dbraw/zinc/29/59/27/173295927.db2.gz ULWNINFQQIZIIM-BDAKNGLRSA-N 1 0 200.282 0.280 10 0 BCAERO CNC(=O)[C@@H](C)OC1CCC([NH3+])CC1 ZINC000055142897 173295932 /nfs/dbraw/zinc/29/59/32/173295932.db2.gz ZAUOQEHSCGOTMK-AFPNSQJFSA-N 1 0 200.282 0.407 10 0 BCAERO CNC(=O)[C@@H]1CCCN1c1cc(C[NH3+])ccn1 ZINC000042390718 173298956 /nfs/dbraw/zinc/29/89/56/173298956.db2.gz ZWXKJWJGSYYXBG-JTQLQIEISA-N 1 0 234.303 0.255 10 0 BCAERO CNC(=O)[C@H](C)Oc1ccccc1C[NH3+] ZINC000020386431 173304352 /nfs/dbraw/zinc/30/43/52/173304352.db2.gz DNGUSTAGPPLHCP-QMMMGPOBSA-N 1 0 208.261 0.659 10 0 BCAERO CNC(=O)[C@H](C[NH3+])Cc1cc(F)c(F)c(F)c1 ZINC000062706117 173304915 /nfs/dbraw/zinc/30/49/15/173304915.db2.gz VBTWGHRSYRHRKQ-ZETCQYMHSA-N 1 0 246.232 0.967 10 0 BCAERO CNC(=O)[C@H]1C=CNC(=[NH+]C)[C@H]1OC1CC1 ZINC000095728737 173305390 /nfs/dbraw/zinc/30/53/90/173305390.db2.gz QNJZEBGJYVBLJW-IUCAKERBSA-N 1 0 223.276 0.041 10 0 BCAERO CNC(=O)[C@H]1CCCN1[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000042396242 173307768 /nfs/dbraw/zinc/30/77/68/173307768.db2.gz JDSSYAFEEJGTQU-QJPTWQEYSA-N 1 0 239.363 0.857 10 0 BCAERO CNC(=O)c1cc(N(C)C[C@@H](C)C[NH3+])ccn1 ZINC000042455634 173309634 /nfs/dbraw/zinc/30/96/34/173309634.db2.gz FMQHDIIEQVOQLA-VIFPVBQESA-N 1 0 236.319 0.472 10 0 BCAERO CNC(=O)c1cc(NC[C@H]([NH3+])C2CC2)ccn1 ZINC000104318372 173309800 /nfs/dbraw/zinc/30/98/00/173309800.db2.gz SVSMEHGOESOWBD-JTQLQIEISA-N 1 0 234.303 0.590 10 0 BCAERO CNC(=O)c1cc(NCCC[NH+](C)C)ccn1 ZINC000035121918 173309977 /nfs/dbraw/zinc/30/99/77/173309977.db2.gz SIQMBGPPTMSDFW-UHFFFAOYSA-N 1 0 236.319 0.805 10 0 BCAERO CNC(=O)c1ccc(N[C@@H]2CCC[C@H]2C[NH3+])nn1 ZINC000095013501 173311164 /nfs/dbraw/zinc/31/11/64/173311164.db2.gz FPOXXBMOZBHTPO-DTWKUNHWSA-N 1 0 249.318 0.376 10 0 BCAERO CNC(=O)c1ccc(N[C@H]2CCC[NH2+][C@@H]2C)nn1 ZINC000229607695 173311207 /nfs/dbraw/zinc/31/12/07/173311207.db2.gz PUAHNPTUNJGUER-BDAKNGLRSA-N 1 0 249.318 0.389 10 0 BCAERO CNC(=O)c1ccnc(C[NH3+])c1OC1CC1 ZINC000095720050 173313519 /nfs/dbraw/zinc/31/35/19/173313519.db2.gz LPIKHRSGIRSPIX-UHFFFAOYSA-N 1 0 221.260 0.441 10 0 BCAERO CNC(=O)c1ncc(OC2CC2)cc1C[NH3+] ZINC000095737705 173315293 /nfs/dbraw/zinc/31/52/93/173315293.db2.gz NHSYUMCWBKRPLW-UHFFFAOYSA-N 1 0 221.260 0.441 10 0 BCAERO C[NH2+]C(C)(C)C(=O)N(C)[C@H]1CCSC1 ZINC000061300395 173317596 /nfs/dbraw/zinc/31/75/96/173317596.db2.gz FIMOBFKSHAWJSI-QMMMGPOBSA-N 1 0 216.350 0.948 10 0 BCAERO C[NH2+]C(C)(C)C(=O)N1CCCC[C@H]1CO ZINC000061300509 173317973 /nfs/dbraw/zinc/31/79/73/173317973.db2.gz JEXRDXHUUFSCER-VIFPVBQESA-N 1 0 214.309 0.358 10 0 BCAERO C[NH2+]C(C)(C)C(=O)N1CCCC[C@@H]1CCO ZINC000061300241 173317732 /nfs/dbraw/zinc/31/77/32/173317732.db2.gz AXEZJTTVFPQXDK-SNVBAGLBSA-N 1 0 228.336 0.748 10 0 BCAERO C[NH2+]C(C)(C)C(=O)N(C)C[C@H]1CCCO1 ZINC000061318809 173317869 /nfs/dbraw/zinc/31/78/69/173317869.db2.gz GCDIAOITTSHDFN-SECBINFHSA-N 1 0 214.309 0.622 10 0 BCAERO C[NH2+]C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1O ZINC000061319259 173318159 /nfs/dbraw/zinc/31/81/59/173318159.db2.gz YOEMFJRQPGKVJU-RKDXNWHRSA-N 1 0 214.309 0.404 10 0 BCAERO C[NH2+]C(C)(C)C(=O)NCc1cnc(C)cn1 ZINC000061322280 173318509 /nfs/dbraw/zinc/31/85/09/173318509.db2.gz BYGFFZJUNGXBSH-UHFFFAOYSA-N 1 0 222.292 0.399 10 0 BCAERO C[NH2+]C1CCN([C@@H](C)C(=O)NC(C)C)CC1 ZINC000037469314 173324045 /nfs/dbraw/zinc/32/40/45/173324045.db2.gz VLPHGHMUHDIFIN-JTQLQIEISA-N 1 0 227.352 0.583 10 0 BCAERO C[NH2+]CC(=O)N(Cc1ccccc1)OC ZINC000193144124 173324873 /nfs/dbraw/zinc/32/48/73/173324873.db2.gz WRYQQXFXSJIEDG-UHFFFAOYSA-N 1 0 208.261 0.796 10 0 BCAERO C[NH2+]CC(=O)NC1(CO)CCC(C)CC1 ZINC000053127383 173327517 /nfs/dbraw/zinc/32/75/17/173327517.db2.gz DDVHEVZEXCTKKQ-UHFFFAOYSA-N 1 0 214.309 0.263 10 0 BCAERO C[NH2+]CC(=O)NC[C@@H]1[C@@H]2Cc3ccccc3[C@H]12 ZINC000193133828 173330050 /nfs/dbraw/zinc/33/00/50/173330050.db2.gz PGXAITDCOPNSKP-SCRDCRAPSA-N 1 0 230.311 0.908 10 0 BCAERO C[NH2+]CC(=O)Nc1ccc(-n2cc[nH]c2=O)cc1 ZINC000037768988 173333739 /nfs/dbraw/zinc/33/37/39/173333739.db2.gz YUPWOGFEONYKKC-UHFFFAOYSA-N 1 0 246.270 0.324 10 0 BCAERO C[NH2+]CC(=O)Nc1ccc(S(C)(=O)=O)cc1 ZINC000019431106 173333910 /nfs/dbraw/zinc/33/39/10/173333910.db2.gz GRDOITXESYOHDT-UHFFFAOYSA-N 1 0 242.300 0.248 10 0 BCAERO C[NH2+]CC(=O)Nc1sccc1C(N)=O ZINC000040414544 173334733 /nfs/dbraw/zinc/33/47/33/173334733.db2.gz PNSPWLNMAUHUGN-UHFFFAOYSA-N 1 0 213.262 0.005 10 0 BCAERO C[NH2+]CCC(=O)NCCc1cccn1C ZINC000077303573 173340666 /nfs/dbraw/zinc/34/06/66/173340666.db2.gz KWNKDFLUSQQQMP-UHFFFAOYSA-N 1 0 209.293 0.293 10 0 BCAERO C[NH2+]CCCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000104343520 173347385 /nfs/dbraw/zinc/34/73/85/173347385.db2.gz ORZOLYBKOYWOHN-AOOOYVTPSA-N 1 0 224.304 0.771 10 0 BCAERO C[NH2+]CCN(C)C(=O)[C@H](C)c1cccnc1 ZINC000237314561 173352418 /nfs/dbraw/zinc/35/24/18/173352418.db2.gz JGZPTSCKOOLQMG-SNVBAGLBSA-N 1 0 221.304 0.863 10 0 BCAERO C[NH2+]CCN(C)c1cc(C)cc2ncnn21 ZINC000053663829 173353795 /nfs/dbraw/zinc/35/37/95/173353795.db2.gz MUTHZKTYGTUXTA-UHFFFAOYSA-N 1 0 219.292 0.693 10 0 BCAERO C[NH2+]CCN(C)c1ncncc1Cl ZINC000163568609 173354300 /nfs/dbraw/zinc/35/43/00/173354300.db2.gz VEISNBRZBSEFRN-UHFFFAOYSA-N 1 0 200.673 0.786 10 0 BCAERO C[NH2+]CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000105049939 173354491 /nfs/dbraw/zinc/35/44/91/173354491.db2.gz JHHHTPXNAVQVCR-DTORHVGOSA-N 1 0 210.277 0.381 10 0 BCAERO C[NH2+]CCN1C(=O)NC2(CCCCC2)C1=O ZINC000042409934 173354679 /nfs/dbraw/zinc/35/46/79/173354679.db2.gz AYKGFCCBCUAMDV-UHFFFAOYSA-N 1 0 225.292 0.461 10 0 BCAERO C[NH2+]CCN1c2ccccc2C(=O)C1=O ZINC000042410244 173354758 /nfs/dbraw/zinc/35/47/58/173354758.db2.gz KZHUWIVOOKFUGL-UHFFFAOYSA-N 1 0 204.229 0.435 10 0 BCAERO C[NH2+]CCS(=O)(=O)N1CCCC[C@@H]1C ZINC000049629831 173357482 /nfs/dbraw/zinc/35/74/82/173357482.db2.gz SZXGOVUEIPOYJG-VIFPVBQESA-N 1 0 220.338 0.410 10 0 BCAERO C[NH2+]CCOc1nc2c(cc1C(N)=O)CCC2 ZINC000051866979 173357671 /nfs/dbraw/zinc/35/76/71/173357671.db2.gz UCFWNIQGJSSPFB-UHFFFAOYSA-N 1 0 235.287 0.267 10 0 BCAERO C[NH2+]CC[C@@H](C)N1CCn2ccnc2C1 ZINC000062324994 173357785 /nfs/dbraw/zinc/35/77/85/173357785.db2.gz WHLULWCICNLKLJ-SNVBAGLBSA-N 1 0 208.309 0.697 10 0 BCAERO C[NH2+]CC[C@@H](N)C(=O)OCc1ccccc1 ZINC000071186628 173358235 /nfs/dbraw/zinc/35/82/35/173358235.db2.gz UQTGWIIURJSCFK-LLVKDONJSA-N 1 0 222.288 0.667 10 0 BCAERO C[NH2+]C[C@@H](C(C)C)N1CCn2ccnc2C1 ZINC000062325621 173361588 /nfs/dbraw/zinc/36/15/88/173361588.db2.gz FKJVNCRORQXPLV-NSHDSACASA-N 1 0 222.336 0.943 10 0 BCAERO C[NH2+]CCn1c2ccccc2nc(C)c1=O ZINC000052099117 173361804 /nfs/dbraw/zinc/36/18/04/173361804.db2.gz XIJDMKLSEGUBGS-UHFFFAOYSA-N 1 0 217.272 0.924 10 0 BCAERO C[NH2+]C[C@@H](O)CN(C)c1ccc(C(C)=O)cc1 ZINC000077372746 173365085 /nfs/dbraw/zinc/36/50/85/173365085.db2.gz RULKSRHMCQWCHQ-CYBMUJFWSA-N 1 0 236.315 0.906 10 0 BCAERO C[NH2+]C[C@@H](N)C(=O)OCc1ccccc1 ZINC000071186626 173365197 /nfs/dbraw/zinc/36/51/97/173365197.db2.gz PZXBGNCUDGLPEA-SNVBAGLBSA-N 1 0 208.261 0.277 10 0 BCAERO C[NH2+]C[C@@H](O)COCc1ccc(OC)cc1 ZINC000019965640 173365425 /nfs/dbraw/zinc/36/54/25/173365425.db2.gz OSQVHGQEDFLJQG-LLVKDONJSA-N 1 0 225.288 0.792 10 0 BCAERO C[NH2+]C[C@@H](O)CS(=O)(=O)c1ccc(F)cc1 ZINC000019685783 173365432 /nfs/dbraw/zinc/36/54/32/173365432.db2.gz FDKIKXSYLVNQGM-SECBINFHSA-N 1 0 247.291 0.180 10 0 BCAERO C[NH2+]C[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000037871888 173365934 /nfs/dbraw/zinc/36/59/34/173365934.db2.gz GBDYDQFTGYNZQU-SNVBAGLBSA-N 1 0 229.301 0.343 10 0 BCAERO C[NH2+]C[C@@H]1CCCN1c1ccc(C)nn1 ZINC000053703990 173369638 /nfs/dbraw/zinc/36/96/38/173369638.db2.gz JPIJUHOZVAHMOD-JTQLQIEISA-N 1 0 206.293 0.973 10 0 BCAERO C[NH2+]C[C@@H]1CCCN1c1ncc(C)cn1 ZINC000063049353 173369656 /nfs/dbraw/zinc/36/96/56/173369656.db2.gz SOGOZNQPTXQRFS-JTQLQIEISA-N 1 0 206.293 0.973 10 0 BCAERO C[NH2+]C[C@@H]1CCCN1c1nccc(C)n1 ZINC000061860015 173370014 /nfs/dbraw/zinc/37/00/14/173370014.db2.gz NTLDRDZCPIPNNJ-JTQLQIEISA-N 1 0 206.293 0.973 10 0 BCAERO C[NH2+]C[C@@H]1CC[C@@H](Cn2ccnc2C)O1 ZINC000052576178 173371778 /nfs/dbraw/zinc/37/17/78/173371778.db2.gz PRPKSSOFHFBZNH-QWRGUYRKSA-N 1 0 209.293 0.959 10 0 BCAERO C[NH2+]C[C@@](C)(O)c1ccc(S(C)(=O)=O)cc1 ZINC000055032649 173373138 /nfs/dbraw/zinc/37/31/38/173373138.db2.gz ZXPUWVARXAHYOS-LLVKDONJSA-N 1 0 243.328 0.517 10 0 BCAERO C[NH2+]C[C@H](O)COCc1ccc(OC)cc1 ZINC000019965641 173376674 /nfs/dbraw/zinc/37/66/74/173376674.db2.gz OSQVHGQEDFLJQG-NSHDSACASA-N 1 0 225.288 0.792 10 0 BCAERO C[NH2+]C[C@H](O)c1c(F)ccc(O)c1F ZINC000013834252 173376783 /nfs/dbraw/zinc/37/67/83/173376783.db2.gz GZCOBTKQGUJVLJ-ZETCQYMHSA-N 1 0 203.188 0.923 10 0 BCAERO C[NH2+]C[C@H](O)CS(=O)(=O)c1cccc(C)c1 ZINC000019685851 173376893 /nfs/dbraw/zinc/37/68/93/173376893.db2.gz FJUZZZHCBPGPLE-JTQLQIEISA-N 1 0 243.328 0.349 10 0 BCAERO C[NH2+]C[C@H](O)Cn1c(C)nc2ccccc21 ZINC000019864274 173376908 /nfs/dbraw/zinc/37/69/08/173376908.db2.gz AUQGFHJIHMUIQP-JTQLQIEISA-N 1 0 219.288 0.925 10 0 BCAERO C[NH2+]C[C@H]1CCCN(S(=O)(=O)C(C)C)C1 ZINC000040597395 173379162 /nfs/dbraw/zinc/37/91/62/173379162.db2.gz FEWARGQIOYSXMI-SNVBAGLBSA-N 1 0 234.365 0.656 10 0 BCAERO C[NH2+]C[C@H]1CC[C@@H](Cn2ccnc2C)O1 ZINC000052576176 173382682 /nfs/dbraw/zinc/38/26/82/173382682.db2.gz PRPKSSOFHFBZNH-MNOVXSKESA-N 1 0 209.293 0.959 10 0 BCAERO C[NH2+]C[C@H]1C[C@H](F)CN1c1ccncn1 ZINC000238856347 173382923 /nfs/dbraw/zinc/38/29/23/173382923.db2.gz VSEDSCZDHJPPRI-DTWKUNHWSA-N 1 0 210.256 0.613 10 0 BCAERO C[NH2+]Cc1c(N(C)CCO)nc2ccccn21 ZINC000037899549 173385425 /nfs/dbraw/zinc/38/54/25/173385425.db2.gz ILXBBSAKCZFUNL-UHFFFAOYSA-N 1 0 234.303 0.482 10 0 BCAERO C[NH2+]Cc1ccc(-n2nc(C)nc2C)nn1 ZINC000051488566 173388537 /nfs/dbraw/zinc/38/85/37/173388537.db2.gz NPJNJVUPPPLYHR-UHFFFAOYSA-N 1 0 218.264 0.394 10 0 BCAERO C[NH2+]Cc1ccoc1CN1CCS(=O)CC1 ZINC000052516189 173391830 /nfs/dbraw/zinc/39/18/30/173391830.db2.gz UYPHRTLENJPTAU-UHFFFAOYSA-N 1 0 242.344 0.563 10 0 BCAERO C[NH2+]Cc1cnc(=O)[nH]c1C(F)(F)F ZINC000083286571 173392287 /nfs/dbraw/zinc/39/22/87/173392287.db2.gz UJJPGKBHZYARFT-UHFFFAOYSA-N 1 0 207.155 0.920 10 0 BCAERO C[NH2+]Cc1cnn([C@H]2CCS(=O)(=O)C2)c1C ZINC000042355427 173393550 /nfs/dbraw/zinc/39/35/50/173393550.db2.gz UMXRNXUXNILCQE-JTQLQIEISA-N 1 0 243.332 0.271 10 0 BCAERO C[NH2+]Cc1nnc(N2CCOCC2)s1 ZINC000082534049 173397971 /nfs/dbraw/zinc/39/79/71/173397971.db2.gz ZVNNDLJDVBNIDR-UHFFFAOYSA-N 1 0 214.294 0.094 10 0 BCAERO C[NH2+]Cc1nnnn1-c1cccc(F)c1 ZINC000054744168 173398199 /nfs/dbraw/zinc/39/81/99/173398199.db2.gz HENUTUSOGRBHPQ-UHFFFAOYSA-N 1 0 207.212 0.521 10 0 BCAERO C[NH2+]Cc1nnnn1[C@H]1CCC[C@H]1OC ZINC000054746556 173398505 /nfs/dbraw/zinc/39/85/05/173398505.db2.gz FDOBNEXJVAAOFU-JGVFFNPUSA-N 1 0 211.269 0.133 10 0 BCAERO C[NH2+]Cc1nnnn1-c1ccc(C)cc1C ZINC000054744417 173398753 /nfs/dbraw/zinc/39/87/53/173398753.db2.gz KUTNIVRYITYULL-UHFFFAOYSA-N 1 0 217.276 0.999 10 0 BCAERO C[NH2+]Cc1nnnn1-c1cccc(OC)c1 ZINC000054744489 173399073 /nfs/dbraw/zinc/39/90/73/173399073.db2.gz BYGVZQHXRJMGRD-UHFFFAOYSA-N 1 0 219.248 0.390 10 0 BCAERO C[NH2+]Cc1occc1CN1CCOCC1 ZINC000052377798 173399553 /nfs/dbraw/zinc/39/95/53/173399553.db2.gz VCRFDZSUNPLEOA-UHFFFAOYSA-N 1 0 210.277 0.831 10 0 BCAERO C[NH2+]Cc1occc1CN1CCS(=O)CC1 ZINC000052516252 173399884 /nfs/dbraw/zinc/39/98/84/173399884.db2.gz WHOCKFCNQLYKAP-UHFFFAOYSA-N 1 0 242.344 0.563 10 0 BCAERO C[NH2+][C@@H](C(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000043300751 173413115 /nfs/dbraw/zinc/41/31/15/173413115.db2.gz PLUSLCKIXBAETQ-IUCAKERBSA-N 1 0 205.323 0.665 10 0 BCAERO C[NH2+][C@@H](C)CNS(=O)(=O)N1CCC(C)CC1 ZINC000234433900 173415933 /nfs/dbraw/zinc/41/59/33/173415933.db2.gz IWRHFLZLTPZLER-JTQLQIEISA-N 1 0 249.380 0.161 10 0 BCAERO C[NH2+][C@H](C)C(=O)NC[C@H]1CCCOC1 ZINC000054075666 173444521 /nfs/dbraw/zinc/44/45/21/173444521.db2.gz TZLZRVLPEVXWHR-RKDXNWHRSA-N 1 0 200.282 0.137 10 0 BCAERO COC(=O)C(C)(C)CNC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000237113561 173503506 /nfs/dbraw/zinc/50/35/06/173503506.db2.gz PUCMIZZDZNKUJZ-IUCAKERBSA-N 1 0 242.319 0.429 10 0 BCAERO COC(=O)CCCNC(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000070577547 173541799 /nfs/dbraw/zinc/54/17/99/173541799.db2.gz WJOVZNYXHHEWDI-UWVGGRQHSA-N 1 0 242.319 0.573 10 0 BCAERO COC(=O)[C@@H](C(C)C)N1CC[NH2+]CC1 ZINC000041049582 173666273 /nfs/dbraw/zinc/66/62/73/173666273.db2.gz PDSGBZDUFRCGGG-SECBINFHSA-N 1 0 200.282 0.089 10 0 BCAERO COC(=O)c1occc1CN1CCC[NH2+]CC1 ZINC000036946339 173920937 /nfs/dbraw/zinc/92/09/37/173920937.db2.gz UNDHCXKXGNDVEN-UHFFFAOYSA-N 1 0 238.287 0.862 10 0 BCAERO COC(OC)[C@@H](C[NH3+])Cc1cccnc1 ZINC000019729764 173965079 /nfs/dbraw/zinc/96/50/79/173965079.db2.gz JCYRIQGWCCCATF-SNVBAGLBSA-N 1 0 210.277 0.818 10 0 BCAERO COC1(CC[N@@H+]2CCO[C@@H](CO)C2)CCC1 ZINC000336658706 173985898 /nfs/dbraw/zinc/98/58/98/173985898.db2.gz OMXUUNOTMXLSCO-LLVKDONJSA-N 1 0 229.320 0.639 10 0 BCAERO COC1CCN(C(=O)[C@@H]2CC[NH2+]C2)CC1 ZINC000062112759 174026883 /nfs/dbraw/zinc/02/68/83/174026883.db2.gz CRYGHZKONFGHOS-SECBINFHSA-N 1 0 212.293 0.233 10 0 BCAERO COCC(=O)Nc1c[nH]nc1[C@H]1CCC[NH2+]C1 ZINC000095882038 174058230 /nfs/dbraw/zinc/05/82/30/174058230.db2.gz ZGEAXFZJOUTHRS-QMMMGPOBSA-N 1 0 238.291 0.462 10 0 BCAERO COCC(=O)Nc1nc2c(s1)C[NH2+]CC2 ZINC000048631711 174061301 /nfs/dbraw/zinc/06/13/01/174061301.db2.gz KFOLOGBJTAIXPQ-UHFFFAOYSA-N 1 0 227.289 0.374 10 0 BCAERO COCC(C)(C)NC(=O)[C@H]1CCC[NH2+][C@H]1C ZINC000125489397 174081283 /nfs/dbraw/zinc/08/12/83/174081283.db2.gz YLBXODRKOFKLOF-UWVGGRQHSA-N 1 0 228.336 0.916 10 0 BCAERO COCC1CCN(C(=O)[C@@H]2CC[NH2+]C2)CC1 ZINC000069633017 174119303 /nfs/dbraw/zinc/11/93/03/174119303.db2.gz CFATZYAARJGSPJ-LLVKDONJSA-N 1 0 226.320 0.481 10 0 BCAERO COCCC1(CNC(=O)C2C[NH2+]C2)CC1 ZINC000230051953 174154391 /nfs/dbraw/zinc/15/43/91/174154391.db2.gz ASQZRYHTBRUEBL-UHFFFAOYSA-N 1 0 212.293 0.139 10 0 BCAERO COCCCC(=O)N1CC[C@H](C)C[C@@H]1C[NH3+] ZINC000234668190 174163134 /nfs/dbraw/zinc/16/31/34/174163134.db2.gz VARITDJXTBTOQG-WDEREUQCSA-N 1 0 228.336 0.999 10 0 BCAERO COCCCN(C)C(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000062034724 174213694 /nfs/dbraw/zinc/21/36/94/174213694.db2.gz UHKDWESDAPLWMD-WDEREUQCSA-N 1 0 228.336 0.999 10 0 BCAERO COCCCNC(=O)[C@H](C)N(C)C[C@H](C)C[NH3+] ZINC000042455849 174243308 /nfs/dbraw/zinc/24/33/08/174243308.db2.gz HVJMHXPZYSWVIP-MNOVXSKESA-N 1 0 245.367 0.054 10 0 BCAERO COCCCNC(=O)[C@H](C)O[C@@H]1CCC[NH2+]C1 ZINC000020422754 174244117 /nfs/dbraw/zinc/24/41/17/174244117.db2.gz VDAXFAOVAJPYTH-WDEREUQCSA-N 1 0 244.335 0.296 10 0 BCAERO COCCC[NH2+][C@@H]1CCC(=O)N[C@H]1C ZINC000336649803 174249546 /nfs/dbraw/zinc/24/95/46/174249546.db2.gz IFRKJWXNJHXTGM-DTWKUNHWSA-N 1 0 200.282 0.280 10 0 BCAERO COCCC[NH2+][C@H]1CCC(=O)N[C@H]1C ZINC000336649804 174251496 /nfs/dbraw/zinc/25/14/96/174251496.db2.gz IFRKJWXNJHXTGM-IUCAKERBSA-N 1 0 200.282 0.280 10 0 BCAERO COCCN(C)C(=O)[C@@H]1CCCC[C@H]1[NH3+] ZINC000055090700 174272477 /nfs/dbraw/zinc/27/24/77/174272477.db2.gz ADMFLZGHUMUNQW-NXEZZACHSA-N 1 0 214.309 0.609 10 0 BCAERO COCC[N@H+](C)CC[C@@H](NC(C)C)C(=O)OC ZINC000062524732 174278374 /nfs/dbraw/zinc/27/83/74/174278374.db2.gz CZIMNBRZXJWVEB-LLVKDONJSA-N 1 0 246.351 0.494 10 0 BCAERO COCCN(CCC[NH3+])C(=O)[C@@H]1CCCCO1 ZINC000071223010 174290720 /nfs/dbraw/zinc/29/07/20/174290720.db2.gz PGOSHUZTUAAROK-NSHDSACASA-N 1 0 244.335 0.379 10 0 BCAERO COCCN(CCC[NH+](C)C)C(=O)CC(C)=O ZINC000037839551 174290741 /nfs/dbraw/zinc/29/07/41/174290741.db2.gz RLVSJDIDVKSRBU-UHFFFAOYSA-N 1 0 244.335 0.392 10 0 BCAERO COCC[NH+](CCOC)CCn1ccc(N)n1 ZINC000071377939 174296055 /nfs/dbraw/zinc/29/60/55/174296055.db2.gz NADGTKWFVQWMCK-UHFFFAOYSA-N 1 0 242.323 0.060 10 0 BCAERO COCC[NH+](CCOC)C[C@@H](C)C(=O)OC ZINC000042207392 174296497 /nfs/dbraw/zinc/29/64/97/174296497.db2.gz ABPKECXSRWPNBX-SNVBAGLBSA-N 1 0 233.308 0.390 10 0 BCAERO COCCN(C[C@@H](C)[NH3+])[C@@H](C)COC ZINC000042607137 174298252 /nfs/dbraw/zinc/29/82/52/174298252.db2.gz ZKKUIKUELBBYKY-ZJUUUORDSA-N 1 0 204.314 0.317 10 0 BCAERO COCC[N@@H+]([C@H](C)CC(=O)OC)[C@@H](C)COC ZINC000042608371 174302109 /nfs/dbraw/zinc/30/21/09/174302109.db2.gz BOMDGTOHXRRMPN-MNOVXSKESA-N 1 0 247.335 0.921 10 0 BCAERO COCCN1C[C@@H](C)[NH2+]C[C@H]1C(C)C ZINC000062568684 174316962 /nfs/dbraw/zinc/31/69/62/174316962.db2.gz UKVJUZVYVQZHIC-MNOVXSKESA-N 1 0 200.326 0.951 10 0 BCAERO COCCN1C[C@H](C(C)C)[NH2+]C[C@@H]1C ZINC000082926458 174318143 /nfs/dbraw/zinc/31/81/43/174318143.db2.gz ZTUJWBMXZKXQGK-WDEREUQCSA-N 1 0 200.326 0.951 10 0 BCAERO COCCNC(=O)[C@H](C)O[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000050211612 174326714 /nfs/dbraw/zinc/32/67/14/174326714.db2.gz FSFFOBYILNBMJW-GARJFASQSA-N 1 0 244.335 0.295 10 0 BCAERO COCCNC(=O)[C@H](C)[NH2+]C1CCCC1 ZINC000034937584 174326738 /nfs/dbraw/zinc/32/67/38/174326738.db2.gz ZZBUKDRYABCOCD-VIFPVBQESA-N 1 0 214.309 0.670 10 0 BCAERO COCCNC(=O)[C@H](C)[NH2+][C@H](C)[C@H]1CCCO1 ZINC000035735710 174326774 /nfs/dbraw/zinc/32/67/74/174326774.db2.gz NHODVXMBMVFWHX-OUAUKWLOSA-N 1 0 244.335 0.295 10 0 BCAERO COCCNC(=O)[C@H](C)OC1CCC([NH3+])CC1 ZINC000055142837 174326825 /nfs/dbraw/zinc/32/68/25/174326825.db2.gz WTELBVATAXYVGV-WHXUTIOJSA-N 1 0 244.335 0.424 10 0 BCAERO COCCNC(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000055085934 174327440 /nfs/dbraw/zinc/32/74/40/174327440.db2.gz RQMQTKDEKLQHIH-IUCAKERBSA-N 1 0 200.282 0.267 10 0 BCAERO COCC[NH2+]CC(=O)N[C@H](C)c1ccccn1 ZINC000092495193 174331175 /nfs/dbraw/zinc/33/11/75/174331175.db2.gz UMPNXSJVLNRMNT-SNVBAGLBSA-N 1 0 237.303 0.495 10 0 BCAERO COCC[NH2+]C[C@@H](O)c1ccc(F)c(N)c1 ZINC000098125118 174333104 /nfs/dbraw/zinc/33/31/04/174333104.db2.gz VDJNPHTZHYIHOA-LLVKDONJSA-N 1 0 228.267 0.677 10 0 BCAERO COCC[NH2+]C[C@@H](O)c1ccc(C)c(N)c1 ZINC000098124943 174333359 /nfs/dbraw/zinc/33/33/59/174333359.db2.gz SNBPWOQFBZQEFK-GFCCVEGCSA-N 1 0 224.304 0.847 10 0 BCAERO COCC[NH2+]CCNc1nnc(C)s1 ZINC000126464905 174333656 /nfs/dbraw/zinc/33/36/56/174333656.db2.gz LHPBJSRYGYTZRO-UHFFFAOYSA-N 1 0 216.310 0.494 10 0 BCAERO COCC[NH2+]C[C@H](O)c1cccc(N)c1 ZINC000098123943 174334123 /nfs/dbraw/zinc/33/41/23/174334123.db2.gz LGJNPWSMEWRPHH-NSHDSACASA-N 1 0 210.277 0.538 10 0 BCAERO COCC[NH2+]Cc1c(C)nn(C)c1OC ZINC000135054838 174334450 /nfs/dbraw/zinc/33/44/50/174334450.db2.gz FLKIGIHZPZAUIH-UHFFFAOYSA-N 1 0 213.281 0.473 10 0 BCAERO COCC[NH2+]Cc1c(C)nn(C)c1-n1ccnc1 ZINC000062738546 174334951 /nfs/dbraw/zinc/33/49/51/174334951.db2.gz XTPSOTCQBVTNGV-UHFFFAOYSA-N 1 0 249.318 0.650 10 0 BCAERO COCC[NH2+]Cc1ccccc1C(N)=O ZINC000020036276 174335460 /nfs/dbraw/zinc/33/54/60/174335460.db2.gz PFAOYJDEWOXUGE-UHFFFAOYSA-N 1 0 208.261 0.522 10 0 BCAERO COCCNc1nc(C)c(C)c(NN)[nH+]1 ZINC000057331679 174341503 /nfs/dbraw/zinc/34/15/03/174341503.db2.gz SURGAYZIVKFNRJ-UHFFFAOYSA-N 1 0 211.269 0.437 10 0 BCAERO COCCOCC(=O)N1CC[C@H](C)C[C@@H]1C[NH3+] ZINC000234678228 174346384 /nfs/dbraw/zinc/34/63/84/174346384.db2.gz NUHVJKWXFITFHS-WDEREUQCSA-N 1 0 244.335 0.235 10 0 BCAERO COCCOCCNC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054292238 174356147 /nfs/dbraw/zinc/35/61/47/174356147.db2.gz LHPKIAVXCUPLEP-NSHDSACASA-N 1 0 244.335 0.155 10 0 BCAERO COCCOCCNC(=O)CC[C@H]1CCC[NH2+]1 ZINC000261551869 174356292 /nfs/dbraw/zinc/35/62/92/174356292.db2.gz MLVXYSWFBWWKSL-LLVKDONJSA-N 1 0 244.335 0.298 10 0 BCAERO COCCOCCNC(=O)C[C@H]1CCC[NH2+]C1 ZINC000054292239 174356460 /nfs/dbraw/zinc/35/64/60/174356460.db2.gz LHPKIAVXCUPLEP-LLVKDONJSA-N 1 0 244.335 0.155 10 0 BCAERO COCC[C@@H]([NH3+])C(=O)Nc1cccc2c[nH]nc21 ZINC000052792714 174391870 /nfs/dbraw/zinc/39/18/70/174391870.db2.gz KNUKSHQLNKJBLE-SECBINFHSA-N 1 0 248.286 0.865 10 0 BCAERO COCCn1cc([C@@H]2OCC[C@H]2[NH3+])cn1 ZINC000390821995 174430472 /nfs/dbraw/zinc/43/04/72/174430472.db2.gz BMUGRYHDPWZUMF-ZJUUUORDSA-N 1 0 211.265 0.318 10 0 BCAERO COC[C@@H](C)C(=O)N1CCC([NH+](C)C)CC1 ZINC000103520282 174435436 /nfs/dbraw/zinc/43/54/36/174435436.db2.gz NILDIDWQAALBRK-SNVBAGLBSA-N 1 0 228.336 0.822 10 0 BCAERO COC[C@@H](C)[NH2+]C[C@@H](C)N1CCOCC1 ZINC000123548502 174457383 /nfs/dbraw/zinc/45/73/83/174457383.db2.gz OGCZSHUZPACZDN-GHMZBOCLSA-N 1 0 216.325 0.332 10 0 BCAERO COC[C@H]([NH3+])CN(C)c1cc(C)cc2ncnn21 ZINC000104305356 174574528 /nfs/dbraw/zinc/57/45/28/174574528.db2.gz DVZMGAZFOYMAGX-SNVBAGLBSA-N 1 0 249.318 0.448 10 0 BCAERO COC[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C)C1CC1 ZINC000309678371 174585153 /nfs/dbraw/zinc/58/51/53/174585153.db2.gz YRXZDRJHPULOCZ-GDPRMGEGSA-N 1 0 226.320 0.668 10 0 BCAERO COCc1cccc(N2CC[C@H]([NH3+])C2=O)c1 ZINC000049649284 174631897 /nfs/dbraw/zinc/63/18/97/174631897.db2.gz FDGDUUSTQLADAU-NSHDSACASA-N 1 0 220.272 0.897 10 0 BCAERO CO[C@@H]1C[NH2+][C@H](C(=O)NCC(C)(C)C)C1 ZINC000040637238 174770482 /nfs/dbraw/zinc/77/04/82/174770482.db2.gz SJLUTPHGUSARJN-IUCAKERBSA-N 1 0 214.309 0.526 10 0 BCAERO CO[C@@H]1C[C@@H](CO)[N@H+](C[C@@H](O)C(C)C)C1 ZINC000366599168 174773586 /nfs/dbraw/zinc/77/35/86/174773586.db2.gz VMJDFWVFCDCJSZ-HBNTYKKESA-N 1 0 217.309 0.085 10 0 BCAERO CO[C@H]1C[NH2+][C@H](C(=O)NC[C@@H]2CCCCO2)C1 ZINC000042823246 174899545 /nfs/dbraw/zinc/89/95/45/174899545.db2.gz UYNXXNNEGKHGIA-AXFHLTTASA-N 1 0 242.319 0.049 10 0 BCAERO CO[C@H]1C[NH2+][C@H](C(=O)NCC(C)(C)C)C1 ZINC000040637240 174899654 /nfs/dbraw/zinc/89/96/54/174899654.db2.gz SJLUTPHGUSARJN-BDAKNGLRSA-N 1 0 214.309 0.526 10 0 BCAERO COc1cc(CNC(=O)[C@H]2CC[NH2+]C2)ccn1 ZINC000062117033 174983197 /nfs/dbraw/zinc/98/31/97/174983197.db2.gz SCJFRMDABGHGFB-JTQLQIEISA-N 1 0 235.287 0.316 10 0 BCAERO COc1cc(OC)c([C@H](N)C[NH3+])cc1OC ZINC000035677074 175007871 /nfs/dbraw/zinc/00/78/71/175007871.db2.gz HWQFWIQNXIJJNJ-MRVPVSSYSA-N 1 0 226.276 0.671 10 0 BCAERO COc1cc(OC)c([C@H](C[NH3+])CO)c(OC)c1 ZINC000096890808 175007886 /nfs/dbraw/zinc/00/78/86/175007886.db2.gz YBBYHFFZGWCNPD-MRVPVSSYSA-N 1 0 241.287 0.747 10 0 BCAERO COc1cc(OC)cc(OC[C@@H]([NH3+])CO)c1 ZINC000071533115 175010221 /nfs/dbraw/zinc/01/02/21/175010221.db2.gz GRRBLIBUVYIYRV-QMMMGPOBSA-N 1 0 227.260 0.402 10 0 BCAERO COc1cc(OC)nc(N2C[C@@H](C)[C@@H]([NH3+])C2)n1 ZINC000234945130 175011600 /nfs/dbraw/zinc/01/16/00/175011600.db2.gz FYBDACVPATZGNM-SFYZADRCSA-N 1 0 238.291 0.277 10 0 BCAERO COc1cc([C@H](C)[NH2+]CCC(N)=O)ccc1O ZINC000036746958 175016316 /nfs/dbraw/zinc/01/63/16/175016316.db2.gz HNLBSTUTNQKWKH-QMMMGPOBSA-N 1 0 238.287 0.927 10 0 BCAERO COc1ccc(-c2n[nH]c(CC[NH3+])n2)cc1 ZINC000061844087 175037389 /nfs/dbraw/zinc/03/73/89/175037389.db2.gz SUVLNSAUTCCPJG-UHFFFAOYSA-N 1 0 218.260 0.982 10 0 BCAERO CCn1cnnc1CNC(=O)C[C@H]([NH3+])C(C)C ZINC000225813449 487629746 /nfs/dbraw/zinc/62/97/46/487629746.db2.gz DDXAHXLWNNKBNY-VIFPVBQESA-N 1 0 239.323 0.288 10 0 BCAERO COc1ccc(-n2nnnc2[C@@H](C)[NH3+])cc1OC ZINC000062494083 175045674 /nfs/dbraw/zinc/04/56/74/175045674.db2.gz HDXYYUOUWHFILZ-SSDOTTSWSA-N 1 0 249.274 0.699 10 0 BCAERO COc1ccc(C(=O)N2C[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000090321465 175057558 /nfs/dbraw/zinc/05/75/58/175057558.db2.gz LMURERRHDMDFGM-RYUDHWBXSA-N 1 0 246.310 0.987 10 0 BCAERO COc1ccc(C)cc1NS(=O)(=O)CC[NH3+] ZINC000011570271 175078760 /nfs/dbraw/zinc/07/87/60/175078760.db2.gz YYADNDJJTTTXSU-UHFFFAOYSA-N 1 0 244.316 0.704 10 0 BCAERO COc1ccc(CC(=O)N[C@H]2C[C@H]2[NH3+])cc1 ZINC000036235108 175087542 /nfs/dbraw/zinc/08/75/42/175087542.db2.gz TXYUGLMZRGJXOH-MNOVXSKESA-N 1 0 220.272 0.454 10 0 BCAERO COc1ccc(C[N@@H+]2CC[C@@H](CCO)C2)nn1 ZINC000310218121 175102607 /nfs/dbraw/zinc/10/26/07/175102607.db2.gz JRSKDWPSSHQOOM-JTQLQIEISA-N 1 0 237.303 0.690 10 0 BCAERO COc1ccc(CNC(=O)[C@@H](C)[NH3+])cn1 ZINC000040828456 175104680 /nfs/dbraw/zinc/10/46/80/175104680.db2.gz QLGVJACWFPHSHY-SSDOTTSWSA-N 1 0 209.249 0.054 10 0 BCAERO COc1ccc(C[C@H](O)CC[NH3+])cc1OC ZINC000041245683 175116908 /nfs/dbraw/zinc/11/69/08/175116908.db2.gz TZBVPPZLGCFQBU-SNVBAGLBSA-N 1 0 225.288 0.956 10 0 BCAERO COc1ccc(F)c(F)c1[C@H](N)C[NH3+] ZINC000044473113 175125457 /nfs/dbraw/zinc/12/54/57/175125457.db2.gz BMWIDCPECFGNEJ-ZCFIWIBFSA-N 1 0 202.204 0.932 10 0 BCAERO COc1ccc(F)c([C@H](N)C[NH3+])c1F ZINC000044473161 175126248 /nfs/dbraw/zinc/12/62/48/175126248.db2.gz VJJWFPIDVVPAAO-ZCFIWIBFSA-N 1 0 202.204 0.932 10 0 BCAERO COc1ccc(F)cc1CC[NH2+]CCO ZINC000057496866 175128253 /nfs/dbraw/zinc/12/82/53/175128253.db2.gz RGGHWRXVWVNZNN-UHFFFAOYSA-N 1 0 213.252 0.959 10 0 BCAERO COc1ccc(F)cc1CCNC(=O)CC[NH3+] ZINC000057533362 175128791 /nfs/dbraw/zinc/12/87/91/175128791.db2.gz STNGCEDEHBPDPM-UHFFFAOYSA-N 1 0 240.278 0.842 10 0 BCAERO COc1ccc(N2CC[C@@]3(CC[NH2+]C3)C2)nn1 ZINC000090548208 175139578 /nfs/dbraw/zinc/13/95/78/175139578.db2.gz FRHPNOXRFLQUQI-GFCCVEGCSA-N 1 0 234.303 0.675 10 0 BCAERO COc1ccc(NC(=O)[C@@H]2CCC[NH2+]2)cn1 ZINC000019409042 175145852 /nfs/dbraw/zinc/14/58/52/175145852.db2.gz ZKVOVJSLIFMLJY-VIFPVBQESA-N 1 0 221.260 0.781 10 0 BCAERO COc1ccc(NC(=O)[C@H]2C[NH2+]CCN2)cc1 ZINC000062812305 175147870 /nfs/dbraw/zinc/14/78/70/175147870.db2.gz PQTLWGFCQGSNJD-LLVKDONJSA-N 1 0 235.287 0.195 10 0 BCAERO COc1ccc(NC[C@H](O)C[NH3+])c(OC)c1 ZINC000032015191 175151783 /nfs/dbraw/zinc/15/17/83/175151783.db2.gz UFJDDQWRQKVQNX-MRVPVSSYSA-N 1 0 226.276 0.435 10 0 BCAERO COc1ccc(O)c(C(=O)N[C@H]2C[C@@H]2[NH3+])c1 ZINC000043327874 175158158 /nfs/dbraw/zinc/15/81/58/175158158.db2.gz JLNMDCKHEFJONV-IUCAKERBSA-N 1 0 222.244 0.230 10 0 BCAERO COc1ccc(OC)c(CC[C@@H]([NH3+])CO)c1 ZINC000071532235 175165724 /nfs/dbraw/zinc/16/57/24/175165724.db2.gz NDHSDGCEVNCAJS-SNVBAGLBSA-N 1 0 225.288 0.956 10 0 BCAERO COc1ccc(OC)c([C@@H]([NH3+])CCC(N)=O)c1 ZINC000037636030 175168328 /nfs/dbraw/zinc/16/83/28/175168328.db2.gz LXRUJVKOSSYKPI-JTQLQIEISA-N 1 0 238.287 0.969 10 0 BCAERO COc1ccc(OCc2nnc(CC[NH3+])[nH]2)cc1 ZINC000072236549 175173186 /nfs/dbraw/zinc/17/31/86/175173186.db2.gz IURXIRUPTIVUGR-UHFFFAOYSA-N 1 0 248.286 0.894 10 0 BCAERO COc1ccc([C@@H]2OC[C@@H](C[NH3+])O2)cc1O ZINC000049819923 175186189 /nfs/dbraw/zinc/18/61/89/175186189.db2.gz XVOGCTKEXJADJO-LDYMZIIASA-N 1 0 225.244 0.774 10 0 BCAERO COc1ccc([C@H]([NH3+])C(N)=O)cc1OC ZINC000037460196 175190951 /nfs/dbraw/zinc/19/09/51/175190951.db2.gz JKYVXGMJWRMEPB-VIFPVBQESA-N 1 0 210.233 0.189 10 0 BCAERO COc1ccc([C@H]([NH3+])Cn2cncn2)cc1 ZINC000023066556 175192285 /nfs/dbraw/zinc/19/22/85/175192285.db2.gz OJDWFLAHEQIMMA-LLVKDONJSA-N 1 0 218.260 0.987 10 0 BCAERO COc1ccc([C@H](N)C[NH3+])c(F)c1F ZINC000044473203 175192328 /nfs/dbraw/zinc/19/23/28/175192328.db2.gz QLKQJHAIKDVNOF-ZCFIWIBFSA-N 1 0 202.204 0.932 10 0 BCAERO COc1ccc2[nH]cc(C[NH3+])c(=O)c2c1 ZINC000038523968 175202541 /nfs/dbraw/zinc/20/25/41/175202541.db2.gz IZRFPQWAOOMQBV-UHFFFAOYSA-N 1 0 204.229 0.995 10 0 BCAERO COc1cccc(C[NH2+][C@H]2COC[C@@H]2O)c1 ZINC000037894673 175267653 /nfs/dbraw/zinc/26/76/53/175267653.db2.gz KEZZPSOUATYAIR-RYUDHWBXSA-N 1 0 223.272 0.545 10 0 BCAERO COc1cccc(NC(=O)C[NH2+]C[C@@H](C)O)c1 ZINC000035101831 175276467 /nfs/dbraw/zinc/27/64/67/175276467.db2.gz UGKMJZNMTWEISX-SECBINFHSA-N 1 0 238.287 0.604 10 0 BCAERO COc1cccc(OC)c1OCC[C@@H]([NH3+])CO ZINC000071550517 175282628 /nfs/dbraw/zinc/28/26/28/175282628.db2.gz DBPDEMUBSBOSEC-SECBINFHSA-N 1 0 241.287 0.792 10 0 BCAERO COc1cccc(O[C@H](C)C(=O)NCC[NH3+])c1 ZINC000019787163 175284876 /nfs/dbraw/zinc/28/48/76/175284876.db2.gz PNFFJZZRTLFLPE-SECBINFHSA-N 1 0 238.287 0.537 10 0 BCAERO COc1cccc([C@@H](O)CN2CC[NH2+]CC2)c1 ZINC000020264224 175288825 /nfs/dbraw/zinc/28/88/25/175288825.db2.gz KSLCHKLWPHFYDK-ZDUSSCGKSA-N 1 0 236.315 0.634 10 0 BCAERO COc1cccc([C@H](C)[NH2+][C@H]2CC(=O)NC2=O)c1 ZINC000037788891 175293618 /nfs/dbraw/zinc/29/36/18/175293618.db2.gz JYUZSPHXZBMFMF-KWQFWETISA-N 1 0 248.282 0.761 10 0 BCAERO COc1cccc([C@H](C[NH3+])N(C)CC(N)=O)c1 ZINC000043026416 175293899 /nfs/dbraw/zinc/29/38/99/175293899.db2.gz NBFXNXTYBYDONC-NSHDSACASA-N 1 0 237.303 0.112 10 0 BCAERO COc1ccccc1CCN1CC[C@H]([NH3+])C1=O ZINC000082547543 175322472 /nfs/dbraw/zinc/32/24/72/175322472.db2.gz NAKRUNAYPFFQPW-NSHDSACASA-N 1 0 234.299 0.797 10 0 BCAERO COc1ccccc1CCN1CC[C@@H]([NH3+])C1=O ZINC000082547544 175322516 /nfs/dbraw/zinc/32/25/16/175322516.db2.gz NAKRUNAYPFFQPW-LLVKDONJSA-N 1 0 234.299 0.797 10 0 BCAERO COc1ccccc1CN1C[C@@H]([NH3+])CC1=O ZINC000009280459 175328667 /nfs/dbraw/zinc/32/86/67/175328667.db2.gz PXXRZCAYGHFGKO-JTQLQIEISA-N 1 0 220.272 0.755 10 0 BCAERO COc1ccccc1CNS(=O)(=O)CC[NH3+] ZINC000011584592 175330072 /nfs/dbraw/zinc/33/00/72/175330072.db2.gz KEAPVZWJHSTGBY-UHFFFAOYSA-N 1 0 244.316 0.073 10 0 BCAERO COc1ccccc1C[C@@](C)([NH3+])C(N)=O ZINC000037895022 175332517 /nfs/dbraw/zinc/33/25/17/175332517.db2.gz NIPBARQTEXMJGF-LLVKDONJSA-N 1 0 208.261 0.440 10 0 BCAERO COc1ccccc1OCC[C@@H](O)C[NH3+] ZINC000019668476 175341705 /nfs/dbraw/zinc/34/17/05/175341705.db2.gz SCBGQRJJHVBWGR-SECBINFHSA-N 1 0 211.261 0.784 10 0 BCAERO COc1ccccc1O[C@H](C)C(=O)NCC[NH3+] ZINC000019787160 175342314 /nfs/dbraw/zinc/34/23/14/175342314.db2.gz DTOVEVRDNXQTHX-SECBINFHSA-N 1 0 238.287 0.537 10 0 BCAERO COc1ccccc1[C@@H](CO)N1CC[NH2+]CC1 ZINC000038120801 175346556 /nfs/dbraw/zinc/34/65/56/175346556.db2.gz ORNSJIYDKFAJSG-GFCCVEGCSA-N 1 0 236.315 0.634 10 0 BCAERO COc1ccccc1[C@@H]([NH3+])Cn1cnccc1=O ZINC000104267806 175347886 /nfs/dbraw/zinc/34/78/86/175347886.db2.gz KRSTWIJENZRMTG-NSHDSACASA-N 1 0 245.282 0.952 10 0 BCAERO COc1ccccc1[C@@H]1NC(=O)CC[C@H]1[NH3+] ZINC000057501499 175349853 /nfs/dbraw/zinc/34/98/53/175349853.db2.gz DUXPHEOMSUMWAR-SKDRFNHKSA-N 1 0 220.272 0.974 10 0 BCAERO COc1nc(Cl)nc(N2CCC[NH2+]CC2)n1 ZINC000061513678 175392696 /nfs/dbraw/zinc/39/26/96/175392696.db2.gz SQBSMGIXLVZOSC-UHFFFAOYSA-N 1 0 243.698 0.333 10 0 BCAERO COc1nc(Cl)nc(N[C@@H]2C[C@@H]2[NH3+])n1 ZINC000061514703 175392852 /nfs/dbraw/zinc/39/28/52/175392852.db2.gz NCNHLXSQUSRIEW-IUYQGCFVSA-N 1 0 215.644 0.045 10 0 BCAERO COc1nc(Cl)nc(NC2CC([NH3+])C2)n1 ZINC000061514714 175392887 /nfs/dbraw/zinc/39/28/87/175392887.db2.gz SOFWUEDBQPMIPF-UHFFFAOYSA-N 1 0 229.671 0.435 10 0 BCAERO COc1nc(N[C@@H]2CC[N@H+](C)C2)ccc1N ZINC000042544960 175396107 /nfs/dbraw/zinc/39/61/07/175396107.db2.gz OETXJFUWKNCWIR-MRVPVSSYSA-N 1 0 222.292 0.788 10 0 BCAERO COc1ncccc1C(=O)NC1CC([NH3+])C1 ZINC000061445147 175405238 /nfs/dbraw/zinc/40/52/38/175405238.db2.gz QQDLMUCMWMABST-UHFFFAOYSA-N 1 0 221.260 0.310 10 0 BCAERO COc1ncccc1C(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000061883788 175405590 /nfs/dbraw/zinc/40/55/90/175405590.db2.gz HBCIKUHSLNGQOH-KOLCDFICSA-N 1 0 249.314 0.947 10 0 BCAERO CS(=O)(=O)c1ccc(CCNC(N)=[NH2+])cc1 ZINC000084068322 175437792 /nfs/dbraw/zinc/43/77/92/175437792.db2.gz SIIHTSYJFZOLCT-UHFFFAOYSA-N 1 0 241.316 0.116 10 0 BCAERO CS(=O)(=O)c1ccc(O[C@@H]2CC[NH2+]C2)cc1 ZINC000051783855 175438306 /nfs/dbraw/zinc/43/83/06/175438306.db2.gz DJBSFGFJLDDSOD-SNVBAGLBSA-N 1 0 241.312 0.831 10 0 BCAERO CSC[C@H](C)C(=O)N1CCC[C@H]1C[NH3+] ZINC000237364832 175519143 /nfs/dbraw/zinc/51/91/43/175519143.db2.gz HLOANOWLBILFSD-IUCAKERBSA-N 1 0 216.350 0.935 10 0 BCAERO CS[C@H](C)C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000116787780 175554099 /nfs/dbraw/zinc/55/40/99/175554099.db2.gz XSKKNQLODBBKHW-ZJUUUORDSA-N 1 0 246.376 0.527 10 0 BCAERO C[C@@H](C(=O)NCC(C)(C)C)N1CC[NH2+]CC1 ZINC000040495069 175612834 /nfs/dbraw/zinc/61/28/34/175612834.db2.gz AKRUDNWCMDMLRT-JTQLQIEISA-N 1 0 227.352 0.442 10 0 BCAERO C[C@@H](C[NH3+])C(=O)Nc1ccccc1CO ZINC000054339592 175706206 /nfs/dbraw/zinc/70/62/06/175706206.db2.gz PXPRBYATTMHMNV-QMMMGPOBSA-N 1 0 208.261 0.712 10 0 BCAERO C[C@@H](C[NH3+])Cn1nc2ccccn2c1=O ZINC000036986875 175708914 /nfs/dbraw/zinc/70/89/14/175708914.db2.gz ABXRPOSEHHDSQW-QMMMGPOBSA-N 1 0 206.249 0.091 10 0 BCAERO C[C@@H](C[NH3+])Nc1nc2c(cc1C(N)=O)CCCC2 ZINC000104207235 175711719 /nfs/dbraw/zinc/71/17/19/175711719.db2.gz DOJPIGPLVJQMKD-QMMMGPOBSA-N 1 0 248.330 0.818 10 0 BCAERO C[C@@H]([NH3+])C[C@]1(O)c2ccccc2NC1=O ZINC000002012165 175806632 /nfs/dbraw/zinc/80/66/32/175806632.db2.gz PTLNOCZKIVWOBW-HQJQHLMTSA-N 1 0 206.245 0.564 10 0 BCAERO C[C@@H]([NH3+])Cc1nc(C[C@H]2CCCO2)no1 ZINC000036978064 175807730 /nfs/dbraw/zinc/80/77/30/175807730.db2.gz UNDKECGTZKRNGK-HTQZYQBOSA-N 1 0 211.265 0.681 10 0 BCAERO C[C@@H](NC(=O)NC1CC1)C1CC[NH2+]CC1 ZINC000054457117 175837539 /nfs/dbraw/zinc/83/75/39/175837539.db2.gz LVSLMYSBXAIFGO-MRVPVSSYSA-N 1 0 211.309 0.836 10 0 BCAERO C[C@@H](O)CNC(=O)CC1(C[NH3+])CCCCC1 ZINC000083356286 175976788 /nfs/dbraw/zinc/97/67/88/175976788.db2.gz MZFWFVNVZWAPKO-SNVBAGLBSA-N 1 0 228.336 0.783 10 0 BCAERO C[C@@H](O)[C@H]([NH3+])c1nnc2n1CCCCC2 ZINC000036896178 175995708 /nfs/dbraw/zinc/99/57/08/175995708.db2.gz VOGMIVHLSHZGPW-APPZFPTMSA-N 1 0 210.281 0.385 10 0 BCAERO C[C@@H](O)[C@H]1CN(Cc2ccccc2)CC[NH2+]1 ZINC000034253423 175998142 /nfs/dbraw/zinc/99/81/42/175998142.db2.gz AEFZVMAENDWYTI-DGCLKSJQSA-N 1 0 220.316 0.841 10 0 BCAERO C[C@@H](OC[C@H]1CC[NH2+]C1)C(=O)N1CCCC1 ZINC000051888175 176003293 /nfs/dbraw/zinc/00/32/93/176003293.db2.gz HKMFDPGXFIPKHL-MNOVXSKESA-N 1 0 226.320 0.623 10 0 BCAERO C[C@@H](OC[C@@H]1CCC[NH2+]1)C(=O)N1CCOCC1 ZINC000051816268 176003384 /nfs/dbraw/zinc/00/33/84/176003384.db2.gz AVHNICDGKVCULO-MNOVXSKESA-N 1 0 242.319 0.002 10 0 BCAERO C[C@@H]([C@H]1CCC[NH2+]C1)N1CCCNC1=O ZINC000043373292 176011911 /nfs/dbraw/zinc/01/19/11/176011911.db2.gz SNTOXCDCBWNJBD-UWVGGRQHSA-N 1 0 211.309 0.790 10 0 BCAERO C[C@@H](c1ccccc1)[C@@H]([NH2+]CCN(C)C)C(N)=O ZINC000041085313 176022972 /nfs/dbraw/zinc/02/29/72/176022972.db2.gz MTDWSJLAAKJVEK-WCQYABFASA-N 1 0 249.358 0.795 10 0 BCAERO C[C@@H](c1cnccn1)N(C)[C@H]1CC[NH2+]C1 ZINC000095068190 176036011 /nfs/dbraw/zinc/03/60/11/176036011.db2.gz BDTJUIUZVIJCCX-UWVGGRQHSA-N 1 0 206.293 0.831 10 0 BCAERO C[C@@H]1CC(=O)N(C[C@H]2CCC[NH2+]C2)C1=O ZINC000038051914 176048692 /nfs/dbraw/zinc/04/86/92/176048692.db2.gz QVBWRYXPTUPCTA-BDAKNGLRSA-N 1 0 210.277 0.381 10 0 BCAERO C[C@H]([C@H]1CCC[NH2+]C1)N1C(=O)C[C@@H](C)C1=O ZINC000216527260 176049367 /nfs/dbraw/zinc/04/93/67/176049367.db2.gz LXAFIMXVHBNCES-BBBLOLIVSA-N 1 0 224.304 0.770 10 0 BCAERO C[C@@H]1CCCN(C(=O)CSCC[NH3+])C1 ZINC000037035671 176092058 /nfs/dbraw/zinc/09/20/58/176092058.db2.gz QPBDUBAXOQOHLE-SECBINFHSA-N 1 0 216.350 0.937 10 0 BCAERO C[C@@H]1CCCN1CC[NH2+][C@@H]1CCS(=O)(=O)C1 ZINC000053343173 176107935 /nfs/dbraw/zinc/10/79/35/176107935.db2.gz YHCDHZNTQXNHCH-GHMZBOCLSA-N 1 0 246.376 0.247 10 0 BCAERO C[C@@H]1CCCN1[C@@H](C[NH3+])c1cnn(C)c1 ZINC000037910361 176109553 /nfs/dbraw/zinc/10/95/53/176109553.db2.gz GBTVOZHQAWMKGD-KOLCDFICSA-N 1 0 208.309 0.904 10 0 BCAERO C[C@@H]1CCCN1S(=O)(=O)C[C@@H]1CCC[NH2+]1 ZINC000049644222 176109993 /nfs/dbraw/zinc/10/99/93/176109993.db2.gz RFDOHBMDMDSYRI-ZJUUUORDSA-N 1 0 232.349 0.553 10 0 BCAERO C[C@@H]1CCCN1S(=O)(=O)C[C@@H]1CCCC[NH2+]1 ZINC000049631220 176110510 /nfs/dbraw/zinc/11/05/10/176110510.db2.gz KMOOJCPNCIPDSI-MNOVXSKESA-N 1 0 246.376 0.943 10 0 BCAERO C[C@@H]1CCC[NH2+][C@@H]1C(=O)N1CCOCC1 ZINC000051791944 176111933 /nfs/dbraw/zinc/11/19/33/176111933.db2.gz JMGPBRPDUMTQKQ-ZJUUUORDSA-N 1 0 212.293 0.233 10 0 BCAERO C[C@@H]1CCC[NH2+][C@@H]1C(=O)N1CCN(C)CC1 ZINC000051791984 176111977 /nfs/dbraw/zinc/11/19/77/176111977.db2.gz LFMQBDCAOWQFGP-MNOVXSKESA-N 1 0 225.336 0.149 10 0 BCAERO C[C@@H]1CCC[C@@H](C(=O)N2CCS(=O)CC2)[NH2+]1 ZINC000049692893 176112707 /nfs/dbraw/zinc/11/27/07/176112707.db2.gz AVOIMMOJDQRMIE-ZJUUUORDSA-N 1 0 244.360 0.108 10 0 BCAERO C[C@@H]1CCC[C@@H](N(C)S(=O)(=O)CC[NH3+])C1 ZINC000042494533 176120367 /nfs/dbraw/zinc/12/03/67/176120367.db2.gz WRKYJVZFWLRIPZ-NXEZZACHSA-N 1 0 234.365 0.785 10 0 BCAERO C[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000216239343 176130219 /nfs/dbraw/zinc/13/02/19/176130219.db2.gz OIQHWHQHDMAGAF-IMSYWVGJSA-N 1 0 212.293 0.014 10 0 BCAERO C[C@@H]1CCC[C@@](CO)(NC(=O)C(C)(C)[NH3+])C1 ZINC000053127464 176133859 /nfs/dbraw/zinc/13/38/59/176133859.db2.gz MKMMKGWJWSIHFP-BXKDBHETSA-N 1 0 228.336 0.781 10 0 BCAERO C[C@@H]1CCC[C@H](NS(=O)(=O)CC[NH3+])C1 ZINC000037115703 176143946 /nfs/dbraw/zinc/14/39/46/176143946.db2.gz FZURGLGERYQWPZ-BDAKNGLRSA-N 1 0 220.338 0.443 10 0 BCAERO C[C@@H]1CCN(CCS(C)(=O)=O)CC[C@@H](C)[NH2+]1 ZINC000049662697 176170785 /nfs/dbraw/zinc/17/07/85/176170785.db2.gz JBPRSHFAKYABCO-GHMZBOCLSA-N 1 0 248.392 0.493 10 0 BCAERO C[C@@H]1CCN(C[C@@H]2COCCO2)CC[NH2+]1 ZINC000049662292 176172053 /nfs/dbraw/zinc/17/20/53/176172053.db2.gz DVIGVFQLENFZGP-GHMZBOCLSA-N 1 0 214.309 0.086 10 0 BCAERO C[C@@H]1CCN(S(=O)(=O)C[C@@H]2CCCC[NH2+]2)C1 ZINC000049631242 176178611 /nfs/dbraw/zinc/17/86/11/176178611.db2.gz GGXVKJOUNFHQBB-MNOVXSKESA-N 1 0 246.376 0.800 10 0 BCAERO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1cccnc1N ZINC000052724908 176221790 /nfs/dbraw/zinc/22/17/90/176221790.db2.gz AEWRZPSENOQEAH-KOLCDFICSA-N 1 0 248.330 0.750 10 0 BCAERO C[C@@H]1CN(C(=O)C(F)(F)F)[C@H](C)C[NH2+]1 ZINC000062570204 176241832 /nfs/dbraw/zinc/24/18/32/176241832.db2.gz FSTQRTNMBSCTAF-PHDIDXHHSA-N 1 0 210.199 0.758 10 0 BCAERO C[C@@H]1CN(C(=O)C2(C[NH3+])CC2)CCCO1 ZINC000082641885 176242712 /nfs/dbraw/zinc/24/27/12/176242712.db2.gz WHCMKJPJUGOBBE-SECBINFHSA-N 1 0 212.293 0.363 10 0 BCAERO C[C@@H]1CN(C(=O)C2SCCS2)CC[NH2+]1 ZINC000261528060 176243930 /nfs/dbraw/zinc/24/39/30/176243930.db2.gz GKDXPSKEDMDBKP-SSDOTTSWSA-N 1 0 232.374 0.613 10 0 BCAERO C[C@@H]1CN(C(=O)CC2CC[NH2+]CC2)CCN1C ZINC000111237446 176244836 /nfs/dbraw/zinc/24/48/36/176244836.db2.gz YLSNMPNZQCGKJG-LLVKDONJSA-N 1 0 239.363 0.539 10 0 BCAERO C[C@@H]1CN(C(=O)N2CC[NH2+]CC2)CCCO1 ZINC000061916695 176250202 /nfs/dbraw/zinc/25/02/02/176250202.db2.gz ZQOXLCRAYCKVMB-SNVBAGLBSA-N 1 0 227.308 0.122 10 0 BCAERO C[C@@H]1CN(C(=O)[C@@H]2CC[NH2+]C2)[C@H](C)CO1 ZINC000062112875 176255594 /nfs/dbraw/zinc/25/55/94/176255594.db2.gz FSEFLLAKFPOVLP-OPRDCNLKSA-N 1 0 212.293 0.232 10 0 BCAERO C[C@@H]1CN(C(=O)c2cn[nH]c2)C[C@H]1[NH+](C)C ZINC000089710374 176264230 /nfs/dbraw/zinc/26/42/30/176264230.db2.gz DQCNJSRLZRIMFT-PSASIEDQSA-N 1 0 222.292 0.432 10 0 BCAERO C[C@@H]1CN(C(=O)c2nccnc2N)C[C@H]1[NH+](C)C ZINC000266146561 176266283 /nfs/dbraw/zinc/26/62/83/176266283.db2.gz GJVLDBGFTOXLSG-RKDXNWHRSA-N 1 0 249.318 0.081 10 0 BCAERO C[C@@H]1CN(CC(=O)c2ccc[nH]2)CC[NH2+]1 ZINC000095069475 176284822 /nfs/dbraw/zinc/28/48/22/176284822.db2.gz ROELOYRGAPTLRU-SECBINFHSA-N 1 0 207.277 0.491 10 0 BCAERO C[C@@H]1CN(Cc2ccnc(Cl)n2)CC[NH2+]1 ZINC000095069493 176308853 /nfs/dbraw/zinc/30/88/53/176308853.db2.gz YMPFZJDYIXIMKQ-MRVPVSSYSA-N 1 0 226.711 0.924 10 0 BCAERO C[C@@H]1CN([C@@H](C[NH3+])c2cnn(C)c2)CCO1 ZINC000020075288 176315585 /nfs/dbraw/zinc/31/55/85/176315585.db2.gz GKGFUQCVKQKPOR-KOLCDFICSA-N 1 0 224.308 0.141 10 0 BCAERO C[C@@H]1CN([C@]2(C[NH3+])CCCSC2)CCO1 ZINC000061589855 176317511 /nfs/dbraw/zinc/31/75/11/176317511.db2.gz KAYAJFZKVWTCMC-MNOVXSKESA-N 1 0 230.377 0.932 10 0 BCAERO C[C@@H]1CN(c2nnnn2-c2ccccc2)CC[NH2+]1 ZINC000052783333 176322030 /nfs/dbraw/zinc/32/20/30/176322030.db2.gz OGLYOVDQOMVPKT-SNVBAGLBSA-N 1 0 244.302 0.460 10 0 BCAERO C[C@@H]1C[NH+]=C(N[C@@]2(C)CCS(=O)(=O)C2)S1 ZINC000044931823 176323900 /nfs/dbraw/zinc/32/39/00/176323900.db2.gz QAVRJLXTZCVZQT-APPZFPTMSA-N 1 0 248.373 0.645 10 0 BCAERO C[C@@H]1C[NH+]=C(NC2CCS(=O)(=O)CC2)S1 ZINC000036332480 176324451 /nfs/dbraw/zinc/32/44/51/176324451.db2.gz HPINFJWUYDBSFF-SSDOTTSWSA-N 1 0 248.373 0.645 10 0 BCAERO C[C@@H]1C[NH2+]CCN1CC(=O)NCc1ccco1 ZINC000054372810 176326589 /nfs/dbraw/zinc/32/65/89/176326589.db2.gz KDGSMMQRRNSIGI-SNVBAGLBSA-N 1 0 237.303 0.190 10 0 BCAERO C[C@@H]1C[NH2+]C[C@@H]1C(=O)NC[C@H](O)CC(C)(C)C ZINC000300239537 176328593 /nfs/dbraw/zinc/32/85/93/176328593.db2.gz DLDYZGAAVUFUJG-MXWKQRLJSA-N 1 0 242.363 0.755 10 0 BCAERO C[C@@H]1C[NH2+]C[C@@H]1C(=O)N(C)CCc1ccccn1 ZINC000104227063 176329039 /nfs/dbraw/zinc/32/90/39/176329039.db2.gz RAKKUAFRBVANAQ-YPMHNXCESA-N 1 0 247.342 0.938 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1ccccc1C(N)=O ZINC000111263547 176329987 /nfs/dbraw/zinc/32/99/87/176329987.db2.gz IUDKVRNYKDHSHW-PSASIEDQSA-N 1 0 247.298 0.580 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)NCCCOCC1CC1 ZINC000111263992 176330124 /nfs/dbraw/zinc/33/01/24/176330124.db2.gz GUODGYNLNJSJTG-ZYHUDNBSSA-N 1 0 240.347 0.775 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N(C)Cc1ccccn1 ZINC000111264042 176330174 /nfs/dbraw/zinc/33/01/74/176330174.db2.gz ZQUSJQMMSRWJLN-ZYHUDNBSSA-N 1 0 233.315 0.896 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1c1nc(-c2cnccn2)no1 ZINC000104206185 176330272 /nfs/dbraw/zinc/33/02/72/176330272.db2.gz ACERODLFLKXADO-HTQZYQBOSA-N 1 0 231.259 0.850 10 0 BCAERO C[C@@H]1COCCN1C(=O)[C@@H]([NH3+])c1ccccc1 ZINC000035776564 176333949 /nfs/dbraw/zinc/33/39/49/176333949.db2.gz LTLIVPCTIXIOAT-PWSUYJOCSA-N 1 0 234.299 0.934 10 0 BCAERO C[C@@H]1COCCN1C(=O)C1CC[NH2+]CC1 ZINC000035776685 176334036 /nfs/dbraw/zinc/33/40/36/176334036.db2.gz PLYKYHRVGOFNRM-SECBINFHSA-N 1 0 212.293 0.233 10 0 BCAERO C[C@@H]1COCCN1C(=O)[C@H]([NH3+])C(C)(C)C ZINC000077458857 176334962 /nfs/dbraw/zinc/33/49/62/176334962.db2.gz UBMVMLLVTVQKEB-BDAKNGLRSA-N 1 0 214.309 0.607 10 0 BCAERO C[C@H](C[NH2+]C[C@H]1C[C@H]1C)N1CCOCC1 ZINC000308895436 176397244 /nfs/dbraw/zinc/39/72/44/176397244.db2.gz ZGHJSTZPTRFWQE-IJLUTSLNSA-N 1 0 212.337 0.953 10 0 BCAERO C[C@@H]1C[C@@H]1C[NH2+][C@H]1CCc2ncnn2C1 ZINC000336751525 176397737 /nfs/dbraw/zinc/39/77/37/176397737.db2.gz GLBNABOLPUSOLD-BBBLOLIVSA-N 1 0 206.293 0.839 10 0 BCAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+][C@@H]1CCSC1 ZINC000306469286 176455980 /nfs/dbraw/zinc/45/59/80/176455980.db2.gz PCGPTXKUYXGXGN-DJLDLDEBSA-N 1 0 214.334 0.749 10 0 BCAERO C[C@@H]1OCC[C@@H]1NC(=O)CC[C@@H]1CC[NH2+]C1 ZINC000134557318 176469911 /nfs/dbraw/zinc/46/99/11/176469911.db2.gz BWHXJGHIMOAABD-AXFHLTTASA-N 1 0 226.320 0.670 10 0 BCAERO C[C@@H]1OCC[C@H]1NC(=O)C[C@@H]1CSCC[NH2+]1 ZINC000134255674 176478535 /nfs/dbraw/zinc/47/85/35/176478535.db2.gz BBPFFSCTNVUAOU-IVZWLZJFSA-N 1 0 244.360 0.375 10 0 BCAERO C[C@@]1(C[NH3+])CC(=O)N(Cc2ccccc2)C1=O ZINC000029247572 176530104 /nfs/dbraw/zinc/53/01/04/176530104.db2.gz NXNSRYXLFODNFJ-ZDUSSCGKSA-N 1 0 232.283 0.911 10 0 BCAERO C[C@@]1(NC(=O)[C@H]2CCC[NH2+]C2)CCOC1 ZINC000119130573 176538392 /nfs/dbraw/zinc/53/83/92/176538392.db2.gz PEUDXSUJWJITNM-GXSJLCMTSA-N 1 0 212.293 0.281 10 0 BCAERO C[C@H](C(=O)N1C[C@@H](C)O[C@H](C)C1)C1C[NH2+]C1 ZINC000129027658 176566017 /nfs/dbraw/zinc/56/60/17/176566017.db2.gz DHRBUTJRANDULS-BBBLOLIVSA-N 1 0 226.320 0.478 10 0 BCAERO C[C@H](C(=O)NC1C[NH2+]C1)c1cccs1 ZINC000237420152 176569173 /nfs/dbraw/zinc/56/91/73/176569173.db2.gz GAKKSRXTGFFKER-ZETCQYMHSA-N 1 0 210.302 0.940 10 0 BCAERO C[C@H](C[NH3+])C(=O)N[C@H](C)C(=O)N1CCCCC1 ZINC000054340384 176656659 /nfs/dbraw/zinc/65/66/59/176656659.db2.gz MVJFXIFQAYMPAE-NXEZZACHSA-N 1 0 241.335 0.098 10 0 BCAERO C[C@H](COC1CCC([NH3+])CC1)C(N)=O ZINC000055143172 176713473 /nfs/dbraw/zinc/71/34/73/176713473.db2.gz HVRDZKWHLFALGQ-AFPNSQJFSA-N 1 0 200.282 0.394 10 0 BCAERO C[C@H]([NH3+])C[C@]1(O)c2ccccc2NC1=O ZINC000002012164 176760665 /nfs/dbraw/zinc/76/06/65/176760665.db2.gz PTLNOCZKIVWOBW-CPCISQLKSA-N 1 0 206.245 0.564 10 0 BCAERO C[C@H](NC(=O)[C@@H]1C[NH2+]CCN1)c1ccccc1 ZINC000062812500 176810077 /nfs/dbraw/zinc/81/00/77/176810077.db2.gz IZHQYBYDEUOPGX-JQWIXIFHSA-N 1 0 233.315 0.425 10 0 BCAERO C[C@H](NC(=O)[C@H]1CC[NH2+]C1)C1CCOCC1 ZINC000226372159 176814360 /nfs/dbraw/zinc/81/43/60/176814360.db2.gz MXPCRMYNSOHJDQ-ONGXEEELSA-N 1 0 226.320 0.527 10 0 BCAERO C[C@H](NC(=O)[C@H]1C[NH2+]CCO1)c1ccsc1 ZINC000061366228 176814601 /nfs/dbraw/zinc/81/46/01/176814601.db2.gz ZUXAJZMDOJOZNU-WCBMZHEXSA-N 1 0 240.328 0.914 10 0 BCAERO C[C@H]([NH2+][C@@H]1CCN(C)C1)C(=O)N1CCCC1 ZINC000042547793 176899478 /nfs/dbraw/zinc/89/94/78/176899478.db2.gz ATKRZGOWHWDDIE-WDEREUQCSA-N 1 0 225.336 0.291 10 0 BCAERO C[C@H](O)[C@H]1CN(Cc2ccccc2)CC[NH2+]1 ZINC000034253422 177015806 /nfs/dbraw/zinc/01/58/06/177015806.db2.gz AEFZVMAENDWYTI-WCQYABFASA-N 1 0 220.316 0.841 10 0 BCAERO C[C@H](OCC1CC[NH2+]CC1)C(=O)N(C)C ZINC000051814957 177020985 /nfs/dbraw/zinc/02/09/85/177020985.db2.gz TUUBMCPHDQUMKM-VIFPVBQESA-N 1 0 214.309 0.479 10 0 BCAERO C[C@H](OC[C@@H]1CCC[NH2+]C1)C(=O)N(C)C ZINC000051815212 177021274 /nfs/dbraw/zinc/02/12/74/177021274.db2.gz SDVAIAYBDSTKQX-VHSXEESVSA-N 1 0 214.309 0.479 10 0 BCAERO C[C@H](O[C@H]1CC[NH2+]C1)C(=O)NC1CCCC1 ZINC000051782145 177021654 /nfs/dbraw/zinc/02/16/54/177021654.db2.gz UFZJMPSTQZTVPC-ONGXEEELSA-N 1 0 226.320 0.812 10 0 BCAERO C[C@H](O[C@H]1CCC[NH2+]C1)C(=O)NC1CC1 ZINC000020422764 177021749 /nfs/dbraw/zinc/02/17/49/177021749.db2.gz DVMFUIWZTPTNLK-WPRPVWTQSA-N 1 0 212.293 0.422 10 0 BCAERO C[C@H](O[C@@H]1CC[NH2+]C1)C(=O)NC1CCCC1 ZINC000051782141 177021971 /nfs/dbraw/zinc/02/19/71/177021971.db2.gz UFZJMPSTQZTVPC-GXSJLCMTSA-N 1 0 226.320 0.812 10 0 BCAERO C[C@H]([C@@H]1CCC[NH2+]C1)N1C(=O)CCC1=O ZINC000035691753 177030651 /nfs/dbraw/zinc/03/06/51/177030651.db2.gz NAWVBCTXCVIHOK-RKDXNWHRSA-N 1 0 210.277 0.524 10 0 BCAERO C[C@H](c1ccccn1)N1CC[C@H]([NH3+])C1=O ZINC000049648736 177043421 /nfs/dbraw/zinc/04/34/21/177043421.db2.gz XBZUIJUXLDZDNT-BDAKNGLRSA-N 1 0 205.261 0.702 10 0 BCAERO C[C@H](c1ccncc1)N(C)C(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000037823952 177050341 /nfs/dbraw/zinc/05/03/41/177050341.db2.gz CRKBISUKLPWCKG-ADEWGFFLSA-N 1 0 249.314 0.324 10 0 BCAERO C[C@H](c1cnccn1)[N@@H+]1CCC[C@@H]1CO ZINC000095089098 177051349 /nfs/dbraw/zinc/05/13/49/177051349.db2.gz MYUHHXZELANAQP-NXEZZACHSA-N 1 0 207.277 0.994 10 0 BCAERO C[C@H](c1cnccn1)N(C)[C@@H]1CC[NH2+]C1 ZINC000070026313 177051552 /nfs/dbraw/zinc/05/15/52/177051552.db2.gz BDTJUIUZVIJCCX-NXEZZACHSA-N 1 0 206.293 0.831 10 0 BCAERO C[C@@H]1CC[C@H](C[NH3+])[C@H](N2CCNC(=O)[C@@H]2C)C1 ZINC000104129114 177060701 /nfs/dbraw/zinc/06/07/01/177060701.db2.gz BWZABLHZHVIEEF-WRWGMCAJSA-N 1 0 239.363 0.570 10 0 BCAERO C[C@H]1CC(=O)N(CC[C@@H]2CCC[NH2+]C2)C1=O ZINC000038051931 177061307 /nfs/dbraw/zinc/06/13/07/177061307.db2.gz BAWREVRVJAKYSV-UWVGGRQHSA-N 1 0 224.304 0.771 10 0 BCAERO C[C@H]1CC(=O)N(c2cccc(OCC[NH3+])c2)C1=O ZINC000103102671 177062798 /nfs/dbraw/zinc/06/27/98/177062798.db2.gz SAEWKQPSRMNDHN-VIFPVBQESA-N 1 0 248.282 0.924 10 0 BCAERO C[C@H](C1CC[NH2+]CC1)N1C(=O)C[C@H](C)C1=O ZINC000103378838 177062840 /nfs/dbraw/zinc/06/28/40/177062840.db2.gz VCLTXMKRDHMUDV-DTWKUNHWSA-N 1 0 224.304 0.770 10 0 BCAERO C[C@H]1CCCCN1S(=O)(=O)CCCC[NH3+] ZINC000020180159 177078639 /nfs/dbraw/zinc/07/86/39/177078639.db2.gz LJHVXRKTFMEZJV-JTQLQIEISA-N 1 0 234.365 0.930 10 0 BCAERO C[C@H]1CCCN1S(=O)(=O)CCC[NH3+] ZINC000037911529 177110830 /nfs/dbraw/zinc/11/08/30/177110830.db2.gz QTQCXYVOUWISSV-QMMMGPOBSA-N 1 0 206.311 0.149 10 0 BCAERO C[C@H]1CCC[NH2+][C@H]1C(=O)N1CCC[C@@H]1CO ZINC000051793321 177112954 /nfs/dbraw/zinc/11/29/54/177112954.db2.gz WNNOMGPXPCGYRV-HBNTYKKESA-N 1 0 226.320 0.358 10 0 BCAERO C[C@H]1CCC[C@@](CO)(NC(=O)C[NH3+])C1 ZINC000053127594 177127627 /nfs/dbraw/zinc/12/76/27/177127627.db2.gz PWMOMEYHGACXAL-WCBMZHEXSA-N 1 0 200.282 0.003 10 0 BCAERO C[C@@H]1C[NH2+][C@@H](C)CCN(CCS(C)(=O)=O)C1 ZINC000049662701 177160244 /nfs/dbraw/zinc/16/02/44/177160244.db2.gz YTSAHEQCTQWSHU-MNOVXSKESA-N 1 0 248.392 0.351 10 0 BCAERO C[C@H]1CCN(Cc2nccn2C)[C@@H](C[NH3+])C1 ZINC000235618479 177169112 /nfs/dbraw/zinc/16/91/12/177169112.db2.gz VKFXQYYJHKKHDF-WDEREUQCSA-N 1 0 222.336 0.979 10 0 BCAERO C[C@H]1CCN([C@@H]2CCS(=O)(=O)C2)CCC[NH2+]1 ZINC000049664128 177169763 /nfs/dbraw/zinc/16/97/63/177169763.db2.gz FDEQCTDXYQYQKT-WDEREUQCSA-N 1 0 246.376 0.247 10 0 BCAERO C[C@H]1CC[C@@H](C(=O)NCCn2ccnc2)C[NH2+]1 ZINC000042542791 177181253 /nfs/dbraw/zinc/18/12/53/177181253.db2.gz FHAHTUMKKAOWNJ-WDEREUQCSA-N 1 0 236.319 0.387 10 0 BCAERO C[C@H]1CC[C@@H](C(=O)N2CCn3ccnc3C2)C[NH2+]1 ZINC000062256683 177181266 /nfs/dbraw/zinc/18/12/66/177181266.db2.gz QQBPAHXLRDBEBM-WDEREUQCSA-N 1 0 248.330 0.613 10 0 BCAERO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1[C@@H]1CCCC[C@@H]1O ZINC000042438560 177181824 /nfs/dbraw/zinc/18/18/24/177181824.db2.gz YOWWWDQNCODNAQ-QCNOEVLYSA-N 1 0 240.347 0.876 10 0 BCAERO C[C@H]1CC[C@H](C(=O)N2CCN(C)CC2)C[C@@H]1[NH3+] ZINC000055122073 177196709 /nfs/dbraw/zinc/19/67/09/177196709.db2.gz QZBINSZTMQHTII-SRVKXCTJSA-N 1 0 239.363 0.524 10 0 BCAERO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1[C@@H]1CCCC[C@@H]1O ZINC000042438558 177197821 /nfs/dbraw/zinc/19/78/21/177197821.db2.gz YOWWWDQNCODNAQ-YFKTTZPYSA-N 1 0 240.347 0.876 10 0 BCAERO C[C@H]1CC[C@H]1[NH2+]C1CCS(=O)(=O)CC1 ZINC000307551329 177207026 /nfs/dbraw/zinc/20/70/26/177207026.db2.gz RZTLNBSZZVYZLM-WCBMZHEXSA-N 1 0 217.334 0.952 10 0 BCAERO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C1=COCCO1 ZINC000083118211 177213075 /nfs/dbraw/zinc/21/30/75/177213075.db2.gz XOOJTOSOKSLCTB-DTWKUNHWSA-N 1 0 226.276 0.083 10 0 BCAERO C[C@H]1CN(C(=O)CC[C@@H]2CC[NH2+]C2)CCO1 ZINC000134463661 177215971 /nfs/dbraw/zinc/21/59/71/177215971.db2.gz PMHKRTZTOVUTQC-WDEREUQCSA-N 1 0 226.320 0.623 10 0 BCAERO C[C@H]1CN(C(=O)[C@H]([NH3+])CC(F)F)CCS1 ZINC000335776963 177223773 /nfs/dbraw/zinc/22/37/73/177223773.db2.gz SPMYCHMEPNNGOB-NKWVEPMBSA-N 1 0 238.303 0.933 10 0 BCAERO C[C@H]1CN(C(=O)c2n[nH]c3ccccc32)C[C@@H]1[NH3+] ZINC000235728463 177225819 /nfs/dbraw/zinc/22/58/19/177225819.db2.gz CEQPJBGNWIAFQM-WPRPVWTQSA-N 1 0 244.298 0.982 10 0 BCAERO C[C@H]1CN(CC(=O)NC2CCCCC2)C[C@@H]1[NH3+] ZINC000235645948 177243948 /nfs/dbraw/zinc/24/39/48/177243948.db2.gz OYVUNRLLFAEQAM-JQWIXIFHSA-N 1 0 239.363 0.714 10 0 BCAERO C[C@H]1CN(CC(=O)c2ccccn2)CC[NH2+]1 ZINC000095069480 177244801 /nfs/dbraw/zinc/24/48/01/177244801.db2.gz XDMHVKSPPVLMFF-JTQLQIEISA-N 1 0 219.288 0.558 10 0 BCAERO C[C@H]1C[NH+](CCC(N)=S)C[C@H](C)O1 ZINC000019473795 177246158 /nfs/dbraw/zinc/24/61/58/177246158.db2.gz OAYJZVDIQHOBDA-YUMQZZPRSA-N 1 0 202.323 0.772 10 0 BCAERO C[C@H]1CN(CCCn2ccnc2)[C@@H](C)C[NH2+]1 ZINC000082934736 177250577 /nfs/dbraw/zinc/25/05/77/177250577.db2.gz VZWIZFKMKQNEIV-RYUDHWBXSA-N 1 0 222.336 0.955 10 0 BCAERO C[C@H]1CN(CCOCC(F)(F)F)C[C@@H]1[NH3+] ZINC000235598476 177252269 /nfs/dbraw/zinc/25/22/69/177252269.db2.gz IHDITRCQQWCGIL-YUMQZZPRSA-N 1 0 226.242 0.844 10 0 BCAERO C[C@H]1CN([C@]2(C[NH3+])CCCSC2)CCO1 ZINC000061589856 177276213 /nfs/dbraw/zinc/27/62/13/177276213.db2.gz KAYAJFZKVWTCMC-QWRGUYRKSA-N 1 0 230.377 0.932 10 0 BCAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1CCS(C)(=O)=O ZINC000082699240 177281037 /nfs/dbraw/zinc/28/10/37/177281037.db2.gz NFHOMBWSXQIDMM-WDEREUQCSA-N 1 0 246.376 0.200 10 0 BCAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Cc1cc[nH]n1 ZINC000173749197 177281054 /nfs/dbraw/zinc/28/10/54/177281054.db2.gz YTTCXLVJXXIOPM-CMPLNLGQSA-N 1 0 248.330 0.647 10 0 BCAERO C[C@H]1C[NH2+]CCN(C2CCS(=O)(=O)CC2)C1 ZINC000049662051 177283214 /nfs/dbraw/zinc/28/32/14/177283214.db2.gz HTDKAEUZXDNLNM-JTQLQIEISA-N 1 0 246.376 0.105 10 0 BCAERO C[C@H]1C[NH2+]CCN1CCc1ccncc1 ZINC000054374491 177284004 /nfs/dbraw/zinc/28/40/04/177284004.db2.gz QWHKSINKABSXNX-NSHDSACASA-N 1 0 205.305 0.918 10 0 BCAERO C[C@H]1C[NH2+]CCN1CCO[C@@H]1CCCCO1 ZINC000054374611 177284198 /nfs/dbraw/zinc/28/41/98/177284198.db2.gz LYJNSGBQCQGLRN-NWDGAFQWSA-N 1 0 228.336 0.823 10 0 BCAERO C[C@H]1C[NH2+]CC[C@@]1(Nc1ccccc1)C(N)=O ZINC000033605083 177285149 /nfs/dbraw/zinc/28/51/49/177285149.db2.gz AYSXUQVRTPEXOH-GWCFXTLKSA-N 1 0 233.315 0.952 10 0 BCAERO C[C@@H]1CN(CCCCCO)[C@@H](C)C[NH2+]1 ZINC000083118682 177286693 /nfs/dbraw/zinc/28/66/93/177286693.db2.gz HYZPFLPSNAEBKB-MNOVXSKESA-N 1 0 200.326 0.831 10 0 BCAERO C[C@H]1COCCN1C(=O)C[NH2+]CC1CC1 ZINC000037478348 177289321 /nfs/dbraw/zinc/28/93/21/177289321.db2.gz ZKYRZCALMXTSNS-VIFPVBQESA-N 1 0 212.293 0.233 10 0 BCAERO C[C@H]1COCCN1C(=O)C1CC[NH2+]CC1 ZINC000035776688 177289697 /nfs/dbraw/zinc/28/96/97/177289697.db2.gz PLYKYHRVGOFNRM-VIFPVBQESA-N 1 0 212.293 0.233 10 0 BCAERO C[C@H]1COCCN1CC1(C[NH3+])CCOCC1 ZINC000052181622 177290658 /nfs/dbraw/zinc/29/06/58/177290658.db2.gz UVGUKLXWXMYILA-NSHDSACASA-N 1 0 228.336 0.463 10 0 BCAERO C[C@H]1COCCN1Cc1ccoc1C[NH3+] ZINC000052475865 177293763 /nfs/dbraw/zinc/29/37/63/177293763.db2.gz WJUYAFGFCRHDBG-VIFPVBQESA-N 1 0 210.277 0.959 10 0 BCAERO C[C@@H]1CN(C(=O)[C@@H]2CC[C@@H]([NH3+])C2)[C@@H](C)CO1 ZINC000227877508 177301203 /nfs/dbraw/zinc/30/12/03/177301203.db2.gz OPBMUONPHRZCBG-LNFKQOIKSA-N 1 0 226.320 0.750 10 0 BCAERO C[C@H]1CO[C@H](CO)CN1CCC[NH+](C)C ZINC000122147365 177301950 /nfs/dbraw/zinc/30/19/50/177301950.db2.gz XTOZQVFMTFGBRP-QWRGUYRKSA-N 1 0 216.325 0.020 10 0 BCAERO C[C@@H](CO)CCCNC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000235171320 177308810 /nfs/dbraw/zinc/30/88/10/177308810.db2.gz DKQCRBCPAQRASL-WOPDTQHZSA-N 1 0 242.363 0.899 10 0 BCAERO C[C@@H]1C[C@H](C)CN(S(=O)(=O)CC[NH3+])C1 ZINC000011584640 177315790 /nfs/dbraw/zinc/31/57/90/177315790.db2.gz LLVVIZRKKMQDDW-DTORHVGOSA-N 1 0 220.338 0.253 10 0 BCAERO C[C@H]1C[C@H](C)CN(C(=O)N2CC[NH2+]CC2)C1 ZINC000021958455 177357744 /nfs/dbraw/zinc/35/77/44/177357744.db2.gz YEFDWXDLXKUXMP-QWRGUYRKSA-N 1 0 225.336 0.990 10 0 BCAERO C[C@H]1C[C@H]1C(=O)N1CCCN(CC[NH3+])CC1 ZINC000037038379 177376150 /nfs/dbraw/zinc/37/61/50/177376150.db2.gz BCRRQACIGBFWSM-WDEREUQCSA-N 1 0 225.336 0.135 10 0 BCAERO C[C@H]1NC(=O)CC[C@@H]1[NH2+]Cc1cccn1C ZINC000282338670 177393041 /nfs/dbraw/zinc/39/30/41/177393041.db2.gz LYUAKHSFWJDBKZ-KOLCDFICSA-N 1 0 221.304 0.782 10 0 BCAERO C[C@H]1NC(=O)CC[C@@H]1[NH2+]CC1(O)CCC1 ZINC000309149440 177393264 /nfs/dbraw/zinc/39/32/64/177393264.db2.gz WBGMWBKHAJCHRQ-BDAKNGLRSA-N 1 0 212.293 0.158 10 0 BCAERO C[C@H]1NC(=O)CC[C@@H]1[NH2+]C[C@@H](O)c1ccccc1 ZINC000282229891 177393267 /nfs/dbraw/zinc/39/32/67/177393267.db2.gz FKYJUQMNQZNSGH-KGYLQXTDSA-N 1 0 248.326 0.977 10 0 BCAERO C[C@H]1NC(=O)CC[C@@H]1[NH2+]Cc1cccnc1 ZINC000282497471 177393474 /nfs/dbraw/zinc/39/34/74/177393474.db2.gz WJKPNNWUOQBMSX-KOLCDFICSA-N 1 0 219.288 0.838 10 0 BCAERO C[C@H]1NC(=O)CC[C@H]1[NH2+]Cc1nccn1C ZINC000336777177 177394250 /nfs/dbraw/zinc/39/42/50/177394250.db2.gz HPLOTCFMSPBVFP-RKDXNWHRSA-N 1 0 222.292 0.177 10 0 BCAERO C[C@H]1NC(=O)CC[C@H]1[NH2+]Cc1ncc[nH]1 ZINC000336774215 177394298 /nfs/dbraw/zinc/39/42/98/177394298.db2.gz ZKAKTOCQQHPTHA-HTQZYQBOSA-N 1 0 208.265 0.166 10 0 BCAERO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)[C@@H]1CSC(=O)N1 ZINC000129457364 177394986 /nfs/dbraw/zinc/39/49/86/177394986.db2.gz JJYFLKAUZLSRLI-CSMHCCOUSA-N 1 0 243.332 0.068 10 0 BCAERO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)c1ncccc1O ZINC000229589749 177395064 /nfs/dbraw/zinc/39/50/64/177395064.db2.gz WVWSSULZDXAROO-BDAKNGLRSA-N 1 0 235.287 0.658 10 0 BCAERO C[C@H]1[NH2+]CCC[C@H]1NC(=O)[C@H]1CCCO1 ZINC000129473480 177395539 /nfs/dbraw/zinc/39/55/39/177395539.db2.gz HFIBIUOBSHKXQE-OPRDCNLKSA-N 1 0 212.293 0.422 10 0 BCAERO C[C@H]1[NH2+]CCC[C@H]1NC(=O)Cc1cc[nH]n1 ZINC000193501752 177395881 /nfs/dbraw/zinc/39/58/81/177395881.db2.gz TWWMJJQPEGRMCY-PSASIEDQSA-N 1 0 222.292 0.209 10 0 BCAERO C[C@H]1[NH2+]CCC[C@H]1NC(=O)c1ncccc1O ZINC000229589767 177396868 /nfs/dbraw/zinc/39/68/68/177396868.db2.gz WVWSSULZDXAROO-RKDXNWHRSA-N 1 0 235.287 0.658 10 0 BCAERO C[C@H]1OCCN(C(=O)[C@@H]2CC[NH2+]C2)[C@@H]1C ZINC000125333287 177398507 /nfs/dbraw/zinc/39/85/07/177398507.db2.gz GZXLZDTTXRPKRJ-OPRDCNLKSA-N 1 0 212.293 0.232 10 0 BCAERO C[C@H]1OCC[C@H]1[NH2+]CC(=O)N(C)CC1CC1 ZINC000348191734 177406521 /nfs/dbraw/zinc/40/65/21/177406521.db2.gz VXMZGTNULBYPSC-MWLCHTKSSA-N 1 0 226.320 0.622 10 0 BCAERO C[C@H]1[C@H]([NH3+])CCN1C(=O)c1ccc(F)cn1 ZINC000309353174 177434309 /nfs/dbraw/zinc/43/43/09/177434309.db2.gz XXDITNOVXMYIHL-IONNQARKSA-N 1 0 223.251 0.782 10 0 BCAERO C[C@](CO)(c1ccccn1)N1CC[NH2+]CC1 ZINC000038120625 177442691 /nfs/dbraw/zinc/44/26/91/177442691.db2.gz KGMLMCWXISZZJB-LBPRGKRZSA-N 1 0 221.304 0.194 10 0 BCAERO Cc1n[nH]cc1C(=O)N1C[C@@H](C)[C@H]([NH+](C)C)C1 ZINC000089710055 177544936 /nfs/dbraw/zinc/54/49/36/177544936.db2.gz MPLGQGAOFYAOCU-LDYMZIIASA-N 1 0 236.319 0.740 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)N1CCC([C@@H](C)O)CC1 ZINC000232718336 487639485 /nfs/dbraw/zinc/63/94/85/487639485.db2.gz QCKGZZJIODHAHX-ZYHUDNBSSA-N 1 0 242.363 0.979 10 0 BCAERO [NH3+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]3C[C@H]3C2)CCCO1 ZINC000313378174 487640596 /nfs/dbraw/zinc/64/05/96/487640596.db2.gz NMPCOUAZMHGSAD-WRWGMCAJSA-N 1 0 238.331 0.609 10 0 BCAERO CC(C)[NH2+]CC(=O)NCC[C@@H]1CCCO1 ZINC000038097077 487641436 /nfs/dbraw/zinc/64/14/36/487641436.db2.gz NCDVWZLJJPFWLX-JTQLQIEISA-N 1 0 214.309 0.670 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)NCCCCO ZINC000232720437 487642261 /nfs/dbraw/zinc/64/22/61/487642261.db2.gz XQMCYTXRGQEMBR-SECBINFHSA-N 1 0 202.298 0.249 10 0 BCAERO C[C@H](C[NH3+])N(C)C(=O)[C@@H]1CC[C@H](C)O1 ZINC000322449035 487643173 /nfs/dbraw/zinc/64/31/73/487643173.db2.gz HLTBXJFEJINJFE-VGMNWLOBSA-N 1 0 200.282 0.360 10 0 BCAERO Cc1nnc2c(NC[C@H]3CCCC[NH2+]3)nccn12 ZINC000079471043 487648125 /nfs/dbraw/zinc/64/81/25/487648125.db2.gz ISAFSMUDZUZSQG-SNVBAGLBSA-N 1 0 246.318 0.987 10 0 BCAERO Cc1nc(Cn2cc(C[NH3+])nn2)sc1C ZINC000087396395 487655255 /nfs/dbraw/zinc/65/52/55/487655255.db2.gz KFILXRLYCYVQDT-UHFFFAOYSA-N 1 0 223.305 0.858 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)N[C@@H]1CCC[C@@H](O)C1 ZINC000228480630 487656870 /nfs/dbraw/zinc/65/68/70/487656870.db2.gz ZCYISDUNWOQFKT-GMTAPVOTSA-N 1 0 228.336 0.780 10 0 BCAERO Cn1cncc1CCCN1CCC[C@H]1C[NH3+] ZINC000315072423 487670686 /nfs/dbraw/zinc/67/06/86/487670686.db2.gz LWYZJXWHOBPDJE-NSHDSACASA-N 1 0 222.336 0.776 10 0 BCAERO C[C@@H]1CN(c2ncccn2)C[C@@]1(C)C[NH3+] ZINC000309052776 229314718 /nfs/dbraw/zinc/31/47/18/229314718.db2.gz QTDGQEFNBPEYDP-MWLCHTKSSA-N 1 0 206.293 0.898 10 0 BCAERO CN(C)C(=O)CC[N@@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000398710572 262766749 /nfs/dbraw/zinc/76/67/49/262766749.db2.gz OOAMBXVWCGXSAH-SRVKXCTJSA-N 1 0 240.347 0.558 10 0 BCAERO C[NH2+][C@H](C)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000054073612 487681697 /nfs/dbraw/zinc/68/16/97/487681697.db2.gz VTGTYPJGAXWSJR-OUAUKWLOSA-N 1 0 225.336 0.337 10 0 BCAERO CC(=O)N[C@H]1CCCN(C(=O)C[NH2+]C(C)C)C1 ZINC000037815272 487681944 /nfs/dbraw/zinc/68/19/44/487681944.db2.gz YFSDJMDIPURVQM-NSHDSACASA-N 1 0 241.335 0.112 10 0 BCAERO C[NH2+][C@H](C)C(=O)N1CCC[C@H](c2cc[nH]n2)C1 ZINC000054075388 487682492 /nfs/dbraw/zinc/68/24/92/487682492.db2.gz XIWHNEYMKZQNEX-ZJUUUORDSA-N 1 0 236.319 0.724 10 0 BCAERO C[NH2+][C@H](C)C(=O)Nc1ccccc1-n1cncn1 ZINC000054073762 487682659 /nfs/dbraw/zinc/68/26/59/487682659.db2.gz LEKOOGOZXSPJLW-SECBINFHSA-N 1 0 245.286 0.814 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N[C@@H]1CCOC1 ZINC000087785653 487685695 /nfs/dbraw/zinc/68/56/95/487685695.db2.gz IIXHIFCDTSBWCI-AEJSXWLSSA-N 1 0 212.293 0.267 10 0 BCAERO COc1ncc(Cl)c(N(C)CCC[NH3+])n1 ZINC000087798747 487688392 /nfs/dbraw/zinc/68/83/92/487688392.db2.gz GROKHVRWMPMRCO-UHFFFAOYSA-N 1 0 230.699 0.924 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N(C)Cc1ccsc1 ZINC000088002816 487697938 /nfs/dbraw/zinc/69/79/38/487697938.db2.gz WIBYNZHLTUEXDL-SECBINFHSA-N 1 0 228.317 0.680 10 0 BCAERO CC[C@@H](C)N(CC)C(=O)[C@@H]([NH3+])COC ZINC000088002675 487698101 /nfs/dbraw/zinc/69/81/01/487698101.db2.gz LVYGBHPNYZUOPG-BDAKNGLRSA-N 1 0 202.298 0.607 10 0 BCAERO O=C(NCc1ccc2c(c1)C[NH2+]C2)c1nnc[nH]1 ZINC000097829454 487704121 /nfs/dbraw/zinc/70/41/21/487704121.db2.gz IOGGWWRBHQFCHH-UHFFFAOYSA-N 1 0 243.270 0.338 10 0 BCAERO CC1(C)C[N@@H+]([C@@H]2CCC[C@H]2O)C[C@@H](CO)O1 ZINC000226291948 487709272 /nfs/dbraw/zinc/70/92/72/487709272.db2.gz ZKJURHFLWYABIC-HBNTYKKESA-N 1 0 229.320 0.372 10 0 BCAERO C[C@H]1OCC[C@@H]1NC(=O)CCC(C)(C)[NH3+] ZINC000134549766 487711795 /nfs/dbraw/zinc/71/17/95/487711795.db2.gz GNLYBBZJWBWJKS-BDAKNGLRSA-N 1 0 214.309 0.798 10 0 BCAERO C[C@@H](O)C1CCN(C(=O)[C@@H]2CCC[C@@H]2[NH3+])CC1 ZINC000226332252 487713189 /nfs/dbraw/zinc/71/31/89/487713189.db2.gz VKSDLWLKXDNEAQ-JLLWLGSASA-N 1 0 240.347 0.733 10 0 BCAERO CC(C)[C@H](NC(=O)CCC(C)(C)[NH3+])C(N)=O ZINC000226337276 487713673 /nfs/dbraw/zinc/71/36/73/487713673.db2.gz PRMPPQXLACNYGR-VIFPVBQESA-N 1 0 229.324 0.130 10 0 BCAERO C[C@H]1C[C@H]1NC(=O)COC1CC[NH2+]CC1 ZINC000082665939 487715366 /nfs/dbraw/zinc/71/53/66/487715366.db2.gz XTQJTLHNCYSIIH-WCBMZHEXSA-N 1 0 212.293 0.280 10 0 BCAERO CC(C)C[C@@H]([NH3+])C(=O)N[C@H]1CCSC1 ZINC000226357130 487716290 /nfs/dbraw/zinc/71/62/90/487716290.db2.gz IVQAVGRCILHDEC-DTWKUNHWSA-N 1 0 216.350 0.982 10 0 BCAERO CN(C[C@H]1CCCO1)C(=O)COC1(C)C[NH2+]C1 ZINC000098060789 487717814 /nfs/dbraw/zinc/71/78/14/487717814.db2.gz CAAKSCUWBONWKZ-SNVBAGLBSA-N 1 0 242.319 0.002 10 0 BCAERO O[C@@H](C[NH2+][C@H]1CCCC[C@H]1O)C(F)(F)F ZINC000082681117 487718318 /nfs/dbraw/zinc/71/83/18/487718318.db2.gz YISJVFXOXOPWRY-RNJXMRFFSA-N 1 0 227.226 0.803 10 0 BCAERO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CN(C)CCO2)CS1 ZINC000086936395 487727515 /nfs/dbraw/zinc/72/75/15/487727515.db2.gz SJSAOLHLKJGEAP-OUAUKWLOSA-N 1 0 230.377 0.801 10 0 BCAERO C[C@@H](O)CCNC(=O)c1ccc(C[NH3+])o1 ZINC000087047729 487729161 /nfs/dbraw/zinc/72/91/61/487729161.db2.gz HQDMUXDJOUHYIY-SSDOTTSWSA-N 1 0 212.249 0.239 10 0 BCAERO C[C@H](O)CCNC(=O)c1ccc(C[NH3+])o1 ZINC000087047726 487729406 /nfs/dbraw/zinc/72/94/06/487729406.db2.gz HQDMUXDJOUHYIY-ZETCQYMHSA-N 1 0 212.249 0.239 10 0 BCAERO CN1CCN(C(=O)[C@@H]2C[C@H]3C[C@H]3C2)[C@@H](C[NH3+])C1 ZINC000250423331 487731905 /nfs/dbraw/zinc/73/19/05/487731905.db2.gz ZXQUYAWYGYMCHF-USZNOCQGSA-N 1 0 237.347 0.134 10 0 BCAERO [NH3+][C@@H]1CCC[C@H](C(=O)N[C@H]2CCC[C@H](O)C2)C1 ZINC000250622598 487736551 /nfs/dbraw/zinc/73/65/51/487736551.db2.gz ADGCHWVWYSPGNK-USZNOCQGSA-N 1 0 240.347 0.924 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@H](O)C1 ZINC000250629183 487736704 /nfs/dbraw/zinc/73/67/04/487736704.db2.gz CKBOOEGYWGYHCY-BJDJZHNGSA-N 1 0 240.347 0.781 10 0 BCAERO O=C([C@H]1C[NH2+]CCOC1)N(CC(F)F)C1CC1 ZINC000643688445 487738253 /nfs/dbraw/zinc/73/82/53/487738253.db2.gz XAXLOKVYISIUTP-QMMMGPOBSA-N 1 0 248.273 0.479 10 0 BCAERO C[C@@H]1OCC[C@H]1[NH2+][C@@H]1CCC(=O)NC1(C)C ZINC000309815613 487738478 /nfs/dbraw/zinc/73/84/78/487738478.db2.gz VFCIVWCWVWRXAF-IVZWLZJFSA-N 1 0 226.320 0.811 10 0 BCAERO [NH3+][C@@H]1CCC[C@@H]1C(=O)NC[C@H]1CCC[C@H]1O ZINC000250668604 487738479 /nfs/dbraw/zinc/73/84/79/487738479.db2.gz SWJLYZWDUDUBLP-LMLFDSFASA-N 1 0 226.320 0.391 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)NC[C@H]1CCCOC1 ZINC000250682296 487739133 /nfs/dbraw/zinc/73/91/33/487739133.db2.gz YZSBMBSGKMEHGQ-WOPDTQHZSA-N 1 0 240.347 0.904 10 0 BCAERO [NH3+]C1CCC(C(=O)N[C@@H]2CCOC2)CC1 ZINC000087785293 487739867 /nfs/dbraw/zinc/73/98/67/487739867.db2.gz XZSGUVNIUGEFNB-UDNWOFFPSA-N 1 0 212.293 0.409 10 0 BCAERO O=C(NC[C@@H]1CC[NH2+]C1)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000250842275 487742105 /nfs/dbraw/zinc/74/21/05/487742105.db2.gz MFOVTPJWDGNYMK-CHWFTXMASA-N 1 0 208.305 0.758 10 0 BCAERO OC1CCC(C[NH2+]CC2(O)CCOCC2)CC1 ZINC000310532953 487742863 /nfs/dbraw/zinc/74/28/63/487742863.db2.gz QJDNBKWISMRMBC-UHFFFAOYSA-N 1 0 243.347 0.669 10 0 BCAERO CCOc1cncc(NC[C@@H]2COCC[NH2+]2)n1 ZINC000233797162 487743628 /nfs/dbraw/zinc/74/36/28/487743628.db2.gz NUTSZHAJVZPELK-SECBINFHSA-N 1 0 238.291 0.276 10 0 BCAERO CCOc1cc(NC[C@@H]2COCC[NH2+]2)ncn1 ZINC000233796620 487743640 /nfs/dbraw/zinc/74/36/40/487743640.db2.gz YYULGWOKULNRKZ-SECBINFHSA-N 1 0 238.291 0.276 10 0 BCAERO O=C(NCCN1CC[NH2+]CC1)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000250884368 487743444 /nfs/dbraw/zinc/74/34/44/487743444.db2.gz WEYBMMLOJIIZKE-ZSBIGDGJSA-N 1 0 237.347 0.054 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)N[C@H]1CCO[C@@H]1C ZINC000226447719 487747384 /nfs/dbraw/zinc/74/73/84/487747384.db2.gz CXRRDOWKYQQSKZ-BBBLOLIVSA-N 1 0 214.309 0.653 10 0 BCAERO O=C([C@@H]1C[NH2+]CCOC1)N1CCC2(CCC2)C1 ZINC000643700392 487749108 /nfs/dbraw/zinc/74/91/08/487749108.db2.gz ZDOSTRALFAJJCG-LLVKDONJSA-N 1 0 238.331 0.625 10 0 BCAERO C[C@H]([NH3+])CCC(=O)N[C@@H]1CCC[C@@H](O)C1 ZINC000226508020 487753702 /nfs/dbraw/zinc/75/37/02/487753702.db2.gz NCQVDTUIRVHFEC-IVZWLZJFSA-N 1 0 214.309 0.534 10 0 BCAERO CC[C@H](C)[C@@H]([NH3+])C(=O)N1CC[C@@](C)(C(N)=O)C1 ZINC000234017707 487757225 /nfs/dbraw/zinc/75/72/25/487757225.db2.gz HAEUDAXMFRUKAI-YGOYTEALSA-N 1 0 241.335 0.084 10 0 BCAERO CCc1cc(C(=O)NC[C@@H](C)[NH2+]C)n(C)n1 ZINC000234148837 487764253 /nfs/dbraw/zinc/76/42/53/487764253.db2.gz UKNDATIKNBUGGX-MRVPVSSYSA-N 1 0 224.308 0.320 10 0 BCAERO CCc1cc(C(=O)N2C[C@H](C)[C@H]([NH3+])C2)n(C)n1 ZINC000234171770 487768226 /nfs/dbraw/zinc/76/82/26/487768226.db2.gz QZEDPKZELPKYBS-WCBMZHEXSA-N 1 0 236.319 0.402 10 0 BCAERO CC(C)([NH3+])CC(=O)NC[C@@H]1CCCC[C@H]1O ZINC000082995067 487769427 /nfs/dbraw/zinc/76/94/27/487769427.db2.gz BXBGLKARDZAAMB-VHSXEESVSA-N 1 0 228.336 0.781 10 0 BCAERO C[C@@H]1CN(C(=O)[C@@H]2CCC[C@H]2C[NH3+])[C@@H](C)CO1 ZINC000251799267 487798408 /nfs/dbraw/zinc/79/84/08/487798408.db2.gz XTSFAFRLFUJMIC-WHOHXGKFSA-N 1 0 240.347 0.997 10 0 BCAERO C[C@]1(C(F)F)CN(C(=O)[C@@H]2CC[NH2+]C2)CCO1 ZINC000663002760 487802157 /nfs/dbraw/zinc/80/21/57/487802157.db2.gz SCEIBAAFAHVAAN-LDYMZIIASA-N 1 0 248.273 0.479 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)N[C@@H]2CCC[C@H]2C[NH3+])O1 ZINC000251923149 487807838 /nfs/dbraw/zinc/80/78/38/487807838.db2.gz UTJKWXOWJOIYSE-LMLFDSFASA-N 1 0 226.320 0.798 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)O1 ZINC000251987627 487810617 /nfs/dbraw/zinc/81/06/17/487810617.db2.gz ZCOFTMDDRHIVOS-NXQJVVEESA-N 1 0 238.331 0.953 10 0 BCAERO COc1cccnc1N1CCC[NH2+]CC1 ZINC000107243528 487811193 /nfs/dbraw/zinc/81/11/93/487811193.db2.gz DZDTWLKWQNVWIO-UHFFFAOYSA-N 1 0 207.277 0.890 10 0 BCAERO CCN1CCN(C(=O)[C@@H]2CCC[C@H]2C[NH3+])CC1 ZINC000089449815 487816772 /nfs/dbraw/zinc/81/67/72/487816772.db2.gz BESPJRYKIPFIBA-NWDGAFQWSA-N 1 0 239.363 0.526 10 0 BCAERO CCCNC(=O)CNC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089450649 487817481 /nfs/dbraw/zinc/81/74/81/487817481.db2.gz NMQUBKGHPAJWTB-ZJUUUORDSA-N 1 0 241.335 0.004 10 0 BCAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)NCCn1ccnc1 ZINC000089460279 487822420 /nfs/dbraw/zinc/82/24/20/487822420.db2.gz ZDWMLPKRQGQDAX-GHMZBOCLSA-N 1 0 236.319 0.374 10 0 BCAERO [NH3+]C[C@H]1CCC[C@@H]1C(=O)NCC1CCOCC1 ZINC000089462596 487822431 /nfs/dbraw/zinc/82/24/31/487822431.db2.gz MYAXSTYOCCFMTJ-NEPJUHHUSA-N 1 0 240.347 0.904 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)NCCn1ccnc1 ZINC000089460284 487822443 /nfs/dbraw/zinc/82/24/43/487822443.db2.gz ZDWMLPKRQGQDAX-WDEREUQCSA-N 1 0 236.319 0.374 10 0 BCAERO [NH3+]C[C@H]1CCC[C@@H]1C(=O)N1CCn2ccnc2C1 ZINC000089462057 487823747 /nfs/dbraw/zinc/82/37/47/487823747.db2.gz YUWHRBHLJXGEFP-MNOVXSKESA-N 1 0 248.330 0.600 10 0 BCAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)N1CCn2ccnc2C1 ZINC000089462055 487823945 /nfs/dbraw/zinc/82/39/45/487823945.db2.gz YUWHRBHLJXGEFP-GHMZBOCLSA-N 1 0 248.330 0.600 10 0 BCAERO C[NH2+][C@H](C)C(=O)NCC1(CCOC)CC1 ZINC000234428369 487826126 /nfs/dbraw/zinc/82/61/26/487826126.db2.gz ATRQBIDOZDHIQI-SECBINFHSA-N 1 0 214.309 0.527 10 0 BCAERO C[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H]1CCCC[C@@H]1O ZINC000252590030 487826771 /nfs/dbraw/zinc/82/67/71/487826771.db2.gz CJUPCCVTDSXBSC-USZNOCQGSA-N 1 0 240.347 0.652 10 0 BCAERO C[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@H]1CCCOC1 ZINC000252614537 487827811 /nfs/dbraw/zinc/82/78/11/487827811.db2.gz YFBUFTPXTCXSTA-LPEHRKFASA-N 1 0 212.293 0.280 10 0 BCAERO C[C@@H]1[NH2+]CC[C@@H]1C(=O)N(C)C[C@H]1CCCO1 ZINC000252606000 487827924 /nfs/dbraw/zinc/82/79/24/487827924.db2.gz QEAAKZSDGQWSAC-AXFHLTTASA-N 1 0 226.320 0.622 10 0 BCAERO C[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H]1CCC[C@@H](O)C1 ZINC000252595179 487827980 /nfs/dbraw/zinc/82/79/80/487827980.db2.gz HESIQLWTSPEESG-MMWGEVLESA-N 1 0 226.320 0.404 10 0 BCAERO CCc1nsc(N2CCO[C@H]([C@H](C)[NH3+])C2)n1 ZINC000252689631 487828779 /nfs/dbraw/zinc/82/87/79/487828779.db2.gz RSVOZMWXNYOPRL-YUMQZZPRSA-N 1 0 242.348 0.653 10 0 BCAERO C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@@H]2C[C@H]3C[C@H]3C2)CCO1 ZINC000252682690 487828997 /nfs/dbraw/zinc/82/89/97/487828997.db2.gz CNDYHWUEURXTMI-SVNGYHJRSA-N 1 0 238.331 0.607 10 0 BCAERO O=C(NC[C@H]1C[NH2+]C[C@H]1O)Nc1ccccc1 ZINC000666596569 487838147 /nfs/dbraw/zinc/83/81/47/487838147.db2.gz ROIGSXWGMOQHTJ-MWLCHTKSSA-N 1 0 235.287 0.388 10 0 BCAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+][C@@H]1CO[C@H](C2CC2)C1 ZINC000668103329 487839096 /nfs/dbraw/zinc/83/90/96/487839096.db2.gz IKUMMNZSTODWLQ-VGDYDELISA-N 1 0 238.331 0.811 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N[C@@H]1CCC[C@@H](O)C1 ZINC000227401185 487847379 /nfs/dbraw/zinc/84/73/79/487847379.db2.gz CKBOOEGYWGYHCY-QCNOEVLYSA-N 1 0 240.347 0.781 10 0 BCAERO COC[C@H](C)NC(=O)[C@H]1C[C@@H](C)CC[NH2+]1 ZINC000167375578 487853814 /nfs/dbraw/zinc/85/38/14/487853814.db2.gz IKZLJUXMXZTUAV-LPEHRKFASA-N 1 0 214.309 0.526 10 0 BCAERO C[NH2+][C@H](C)C(=O)N[C@@H]1CCS[C@@H]1C ZINC000306223859 487872006 /nfs/dbraw/zinc/87/20/06/487872006.db2.gz ZXFKNKKURVLWCB-BWZBUEFSSA-N 1 0 202.323 0.605 10 0 BCAERO CC(C)[C@@H]([NH3+])CC(=O)NCC[C@@H](C)O ZINC000129098993 487876052 /nfs/dbraw/zinc/87/60/52/487876052.db2.gz RHAJJTWQOMNFLK-BDAKNGLRSA-N 1 0 202.298 0.247 10 0 BCAERO Cc1cc2c(NC[C@H](C)[NH3+])nccn2n1 ZINC000156983613 487887317 /nfs/dbraw/zinc/88/73/17/487887317.db2.gz DKKVASOHNBVGCN-ZETCQYMHSA-N 1 0 205.265 0.797 10 0 BCAERO Cc1cc2c(NC[C@@H](C)[NH3+])nccn2n1 ZINC000156983462 487887381 /nfs/dbraw/zinc/88/73/81/487887381.db2.gz DKKVASOHNBVGCN-SSDOTTSWSA-N 1 0 205.265 0.797 10 0 BCAERO CCc1cc(C(=O)N2CCC[C@H]2C[NH3+])n(C)n1 ZINC000090127972 487905395 /nfs/dbraw/zinc/90/53/95/487905395.db2.gz HBTXYLFFVXTFCL-JTQLQIEISA-N 1 0 236.319 0.546 10 0 BCAERO O=C(Cc1ccccc1O)NC[C@@H]1CC[NH2+]C1 ZINC000157315884 487909417 /nfs/dbraw/zinc/90/94/17/487909417.db2.gz CUWKEJYNRGPCAL-SNVBAGLBSA-N 1 0 234.299 0.660 10 0 BCAERO CCc1nsc(N2CC[C@H](C[NH3+])C2)n1 ZINC000083670266 487926078 /nfs/dbraw/zinc/92/60/78/487926078.db2.gz XDFFHTSOQOUANT-SSDOTTSWSA-N 1 0 212.322 0.886 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)NCC[C@H]1CCCO1 ZINC000235289607 487940599 /nfs/dbraw/zinc/94/05/99/487940599.db2.gz WWARUCCIEUTMSC-GMTAPVOTSA-N 1 0 226.320 0.527 10 0 BCAERO Cc1nnsc1C(=O)N1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000235329101 487942566 /nfs/dbraw/zinc/94/25/66/487942566.db2.gz APWPVGOVMFMYPH-VDTYLAMSSA-N 1 0 226.305 0.266 10 0 BCAERO C[C@@H]1CN(CC(=O)Nc2nccs2)C[C@@H]1[NH3+] ZINC000235349416 487945113 /nfs/dbraw/zinc/94/51/13/487945113.db2.gz NSGBSXYUXNIWRY-SFYZADRCSA-N 1 0 240.332 0.361 10 0 BCAERO COc1c(C[NH2+][C@H]2CCOC2)c(C)nn1C ZINC000128731133 323007598 /nfs/dbraw/zinc/00/75/98/323007598.db2.gz SKGWIMKIYBMWMJ-VIFPVBQESA-N 1 0 225.292 0.616 10 0 BCAERO C[NH2+][C@H](C)C(=O)N1CCC[C@H](C(=O)OC)C1 ZINC000569708687 323038033 /nfs/dbraw/zinc/03/80/33/323038033.db2.gz WRNGCRIKXVBPGZ-BDAKNGLRSA-N 1 0 228.292 0.006 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N(C)Cc1cnccn1 ZINC000569808444 323041032 /nfs/dbraw/zinc/04/10/32/323041032.db2.gz QSJHULJXNDJMRP-MWLCHTKSSA-N 1 0 234.303 0.291 10 0 BCAERO C[C@H](O)C[C@H]1CCC[N@@H+]1C[C@@H]1CNC(=O)O1 ZINC000160020480 323057659 /nfs/dbraw/zinc/05/76/59/323057659.db2.gz UYQUGRVVHAINMM-AEJSXWLSSA-N 1 0 228.292 0.330 10 0 BCAERO O=C(CC1CC1)N1CC[C@H]2OCC[NH2+][C@H]2C1 ZINC000403980259 323092091 /nfs/dbraw/zinc/09/20/91/323092091.db2.gz ATBQKYJMMWTVRU-WDEREUQCSA-N 1 0 224.304 0.376 10 0 BCAERO O=C(CC1CCC1)N1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC000404023318 323101762 /nfs/dbraw/zinc/10/17/62/323101762.db2.gz ULXSUWHQFMSQSI-RYUDHWBXSA-N 1 0 238.331 0.766 10 0 BCAERO C(CN1CC[C@H]2OCC[NH2+][C@@H]2C1)OCC1CC1 ZINC000563268930 323107162 /nfs/dbraw/zinc/10/71/62/323107162.db2.gz PIPCIIOMOCCPQE-CHWSQXEVSA-N 1 0 240.347 0.476 10 0 BCAERO CCC(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](CC)C1 ZINC000246796475 323130593 /nfs/dbraw/zinc/13/05/93/323130593.db2.gz JQTJIOKMRLOMJF-QWRGUYRKSA-N 1 0 228.336 0.700 10 0 BCAERO C[C@@H]1OCC[C@@H]1NC(=O)N1CCC[C@H]([NH3+])C1 ZINC000417941512 323213131 /nfs/dbraw/zinc/21/31/31/323213131.db2.gz AODYMRPQBFEDRC-GUBZILKMSA-N 1 0 227.308 0.297 10 0 BCAERO OC1CC(C[NH2+]C2CCN(C3CC3)CC2)C1 ZINC000309251207 323332204 /nfs/dbraw/zinc/33/22/04/323332204.db2.gz NCQJNMGZOFKZQY-UHFFFAOYSA-N 1 0 224.348 0.974 10 0 BCAERO Cc1cnc([C@H](C)NC(=O)C(C)(C)[NH3+])o1 ZINC000083887911 487958218 /nfs/dbraw/zinc/95/82/18/487958218.db2.gz CLOLGLGIJFGABH-ZETCQYMHSA-N 1 0 211.265 0.898 10 0 BCAERO COC(=O)c1ccc(N[C@@H](C)C[C@@H](C)[NH3+])nn1 ZINC000320353946 323562189 /nfs/dbraw/zinc/56/21/89/323562189.db2.gz OQEWBMIOCOIMAR-SFYZADRCSA-N 1 0 238.291 0.801 10 0 BCAERO C[C@H]([NH3+])[C@H](C)C(=O)NCC[C@@H]1CCCO1 ZINC000165322804 487959738 /nfs/dbraw/zinc/95/97/38/487959738.db2.gz IYNDXQCWJVHHGI-GUBZILKMSA-N 1 0 214.309 0.655 10 0 BCAERO CC(C)[C@@H]([NH3+])C(=O)N[C@H]1CCC[C@@H](O)C1 ZINC000083891301 487960489 /nfs/dbraw/zinc/96/04/89/487960489.db2.gz PUAXPBKHJVPPNI-IVZWLZJFSA-N 1 0 214.309 0.389 10 0 BCAERO C[C@H]1[C@H](C)OC[C@]12[NH2+]CCc1nc[nH]c12 ZINC000405550933 323950041 /nfs/dbraw/zinc/95/00/41/323950041.db2.gz SAVIHDUYIREAPV-LAEOZQHASA-N 1 0 207.277 0.806 10 0 BCAERO CC(C)(C)OC(=O)[C@@H]1COCC[C@@H]1[NH3+] ZINC000536954821 323964218 /nfs/dbraw/zinc/96/42/18/323964218.db2.gz QISXINKYFFEIDU-SFYZADRCSA-N 1 0 201.266 0.692 10 0 BCAERO CN1CCN(c2nc3ccccc3o2)[C@H](C[NH3+])C1 ZINC000122810889 324058378 /nfs/dbraw/zinc/05/83/78/324058378.db2.gz LDARRHAPUGEZQU-SNVBAGLBSA-N 1 0 246.314 0.907 10 0 BCAERO COC[C@@H](C)[NH2+]C[C@H](O)COCc1ccco1 ZINC000037847459 324578888 /nfs/dbraw/zinc/57/88/88/324578888.db2.gz NNYDGYSPBFPOOA-MNOVXSKESA-N 1 0 243.303 0.782 10 0 BCAERO COC(=O)CCCN1CC[C@H]2OCC[NH2+][C@@H]2C1 ZINC000404187309 325923018 /nfs/dbraw/zinc/92/30/18/325923018.db2.gz GLFGLLCKCHZPOR-GHMZBOCLSA-N 1 0 242.319 0.002 10 0 BCAERO CCn1ccnc1Cn1cc(CCC[NH3+])nn1 ZINC000229838477 487971119 /nfs/dbraw/zinc/97/11/19/487971119.db2.gz NZXRNKWTQXRYLY-UHFFFAOYSA-N 1 0 234.307 0.434 10 0 BCAERO CC(C)[NH2+]CC(=O)N1[C@H](C)COC[C@@H]1C ZINC000566508264 326060002 /nfs/dbraw/zinc/06/00/02/326060002.db2.gz RMQUJWDBABCRJN-AOOOYVTPSA-N 1 0 214.309 0.620 10 0 BCAERO Cc1ncc(C[NH2+]C[C@H]2CN(C)CCO2)n1C ZINC000566690374 326075352 /nfs/dbraw/zinc/07/53/52/326075352.db2.gz OKPIYYZEUSRHBV-LBPRGKRZSA-N 1 0 238.335 0.149 10 0 BCAERO CCC[C@H](C(=O)N[C@@H](C)CCO)[NH+](C)C ZINC000155779135 326211407 /nfs/dbraw/zinc/21/14/07/326211407.db2.gz NKJAMVJGTLSMRD-VHSXEESVSA-N 1 0 216.325 0.604 10 0 BCAERO CC(C)N1CC[C@@H]([NH2+]C[C@H](O)C(C)(C)C)C1=O ZINC000567891617 326277580 /nfs/dbraw/zinc/27/75/80/326277580.db2.gz MBSYJBSLWARMMF-MNOVXSKESA-N 1 0 242.363 0.992 10 0 BCAERO CC(C)n1nnnc1CN1CC[C@@H]([NH3+])C[C@H]1C ZINC000568162842 326316484 /nfs/dbraw/zinc/31/64/84/326316484.db2.gz IHRVKIPXYDQLQC-NXEZZACHSA-N 1 0 238.339 0.566 10 0 BCAERO Cc1ccc(NC(=O)[C@H]2C[C@@H](O)C[NH2+]2)cn1 ZINC000164812239 326417327 /nfs/dbraw/zinc/41/73/27/326417327.db2.gz QEHPHYXTUWGILB-NXEZZACHSA-N 1 0 221.260 0.051 10 0 BCAERO CO[C@H](C)CCC(=O)NCC[C@@H](C)[NH3+] ZINC000166779001 326434866 /nfs/dbraw/zinc/43/48/66/326434866.db2.gz FEAQKPGZJBVRTO-RKDXNWHRSA-N 1 0 202.298 0.655 10 0 BCAERO C[C@@H]1OCC[C@@H]1NC(=O)[C@]1(C)CCC[NH2+]1 ZINC000134259251 487975808 /nfs/dbraw/zinc/97/58/08/487975808.db2.gz UJHVEFHFJCYVAR-QXEWZRGKSA-N 1 0 212.293 0.422 10 0 BCAERO C[C@@H]1OCC[C@H]1NC(=O)C1([NH3+])CCCC1 ZINC000134256864 487976031 /nfs/dbraw/zinc/97/60/31/487976031.db2.gz SAERPTPKORSGRA-DTWKUNHWSA-N 1 0 212.293 0.552 10 0 BCAERO C[C@H]1C[C@H]1[NH2+]Cc1ccc(S(N)(=O)=O)o1 ZINC000083967854 487976270 /nfs/dbraw/zinc/97/62/70/487976270.db2.gz DWFOVZDACQZCFU-POYBYMJQSA-N 1 0 230.289 0.425 10 0 BCAERO C[C@@H]1OCC[C@@H]1NC(=O)C1([NH3+])CCCC1 ZINC000134256901 487976082 /nfs/dbraw/zinc/97/60/82/487976082.db2.gz SAERPTPKORSGRA-IUCAKERBSA-N 1 0 212.293 0.552 10 0 BCAERO COC[C@@H](C)[NH2+]CC(=O)N(C)c1nccs1 ZINC000309499350 487978293 /nfs/dbraw/zinc/97/82/93/487978293.db2.gz ZGZYVETUVMMAFF-MRVPVSSYSA-N 1 0 243.332 0.730 10 0 BCAERO C[C@@H]1OCC[C@@H]1[NH2+][C@@H]1CCCNC(=O)C1 ZINC000134538267 487988151 /nfs/dbraw/zinc/98/81/51/487988151.db2.gz RNNZPUJGQZYHOW-AEJSXWLSSA-N 1 0 212.293 0.422 10 0 BCAERO C[C@H]1OCC[C@@H]1NC(=O)CC[NH2+]C1CC1 ZINC000134549449 487990040 /nfs/dbraw/zinc/99/00/40/487990040.db2.gz VJUQAAIRSNSQMX-SCZZXKLOSA-N 1 0 212.293 0.422 10 0 BCAERO COC[C@H]([NH3+])C(=O)N1CC[C@@H]2CCCC[C@@H]21 ZINC000134820091 487999171 /nfs/dbraw/zinc/99/91/71/487999171.db2.gz SLBJSXRCHQFQOS-DCAQKATOSA-N 1 0 226.320 0.751 10 0 BCAERO Cc1cccc(CN2CCOC[C@H]2CO)n1 ZINC000159282400 488019814 /nfs/dbraw/zinc/01/98/14/488019814.db2.gz BNMQSVKWKQQTKV-GFCCVEGCSA-N 1 0 222.288 0.583 10 0 BCAERO NC(=O)C1CC[NH+](C[C@H]2CCC[C@H](O)C2)CC1 ZINC000383937942 488029401 /nfs/dbraw/zinc/02/94/01/488029401.db2.gz UNZXAGILTHYYGZ-JQWIXIFHSA-N 1 0 240.347 0.735 10 0 BCAERO Cc1cnn(CCNC(=O)CC2([NH3+])CCC2)c1 ZINC000235936617 488032004 /nfs/dbraw/zinc/03/20/04/488032004.db2.gz XPNMKJYZAYGXJL-UHFFFAOYSA-N 1 0 236.319 0.579 10 0 BCAERO Cc1noc(CN(C)C(=O)C[C@@H]([NH3+])C(C)C)n1 ZINC000655527680 488037411 /nfs/dbraw/zinc/03/74/11/488037411.db2.gz YVMROWLHOKDBBE-SECBINFHSA-N 1 0 240.307 0.710 10 0 BCAERO Clc1cncnc1NC[C@@H]1COCC[NH2+]1 ZINC000236038680 488038054 /nfs/dbraw/zinc/03/80/54/488038054.db2.gz LCNUSAQEDXIZCU-SSDOTTSWSA-N 1 0 228.683 0.530 10 0 BCAERO Clc1cnc(NC[C@@H]2COCC[NH2+]2)nc1 ZINC000236056973 488038782 /nfs/dbraw/zinc/03/87/82/488038782.db2.gz JOUSPSQDNUVOHZ-MRVPVSSYSA-N 1 0 228.683 0.530 10 0 BCAERO CC(C)[NH2+]CC(=O)NC[C@H]1CCC[C@H]1O ZINC000084238517 488039810 /nfs/dbraw/zinc/03/98/10/488039810.db2.gz RSEHMJPMKGAUNE-NXEZZACHSA-N 1 0 214.309 0.262 10 0 BCAERO O=C(C[NH2+]C1CC1)NC[C@@H]1CCC[C@H]1O ZINC000084238522 488039595 /nfs/dbraw/zinc/03/95/95/488039595.db2.gz SJUIIBFUVIMNHW-WCBMZHEXSA-N 1 0 212.293 0.016 10 0 BCAERO CC(C)[NH2+]CCC(=O)NC[C@H]1CCC[C@H]1O ZINC000084238758 488039705 /nfs/dbraw/zinc/03/97/05/488039705.db2.gz VESUGTGRNYUFML-GHMZBOCLSA-N 1 0 228.336 0.652 10 0 BCAERO CCn1ncnc1C[NH2+]C[C@H]1CCC[C@H]1O ZINC000084236692 488040651 /nfs/dbraw/zinc/04/06/51/488040651.db2.gz QFLVNRDAJIYFFK-NXEZZACHSA-N 1 0 224.308 0.549 10 0 BCAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)N1CCOCC1 ZINC000084308479 488042216 /nfs/dbraw/zinc/04/22/16/488042216.db2.gz WBYYZAQYOUCBGO-NXEZZACHSA-N 1 0 212.293 0.220 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)NCc1cc[nH]n1 ZINC000084310270 488043646 /nfs/dbraw/zinc/04/36/46/488043646.db2.gz WTDAFWDIRJYNMP-WCBMZHEXSA-N 1 0 222.292 0.401 10 0 BCAERO CCOCCNC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000084309673 488043802 /nfs/dbraw/zinc/04/38/02/488043802.db2.gz APYILIZEHUPPFV-VHSXEESVSA-N 1 0 214.309 0.514 10 0 BCAERO Cn1cc(NC(=O)[C@H]2CCC[C@@H]2C[NH3+])cn1 ZINC000084309487 488043969 /nfs/dbraw/zinc/04/39/69/488043969.db2.gz PQDIDEPTPFMVQS-SCZZXKLOSA-N 1 0 222.292 0.734 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)NCc1c[nH]cn1 ZINC000084311428 488044677 /nfs/dbraw/zinc/04/46/77/488044677.db2.gz PDCGEKPGLACRCZ-WCBMZHEXSA-N 1 0 222.292 0.401 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)NCCCCO ZINC000236195256 488050027 /nfs/dbraw/zinc/05/00/27/488050027.db2.gz AXWOXDRVRTVTQR-VHSXEESVSA-N 1 0 214.309 0.250 10 0 BCAERO Fc1ccc(NC[C@@H]2COCC[NH2+]2)nc1 ZINC000236200459 488053153 /nfs/dbraw/zinc/05/31/53/488053153.db2.gz XZYGFXDYHYLGTF-SECBINFHSA-N 1 0 211.240 0.621 10 0 BCAERO CC[C@](C)(O)C[N@@H+]1CCC[C@@](CO)(OC)C1 ZINC000401720241 488056223 /nfs/dbraw/zinc/05/62/23/488056223.db2.gz NFRXUWMTJVPVGU-NWDGAFQWSA-N 1 0 231.336 0.621 10 0 BCAERO CN1CCO[C@@H](C[NH2+][C@@H]2CCOC(C)(C)C2)C1 ZINC000091666998 488058115 /nfs/dbraw/zinc/05/81/15/488058115.db2.gz FSUKAIHVAVPAIG-NEPJUHHUSA-N 1 0 242.363 0.864 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)NCc1cc[nH]n1 ZINC000128996881 488062219 /nfs/dbraw/zinc/06/22/19/488062219.db2.gz UZLBWYQSYZZCDR-SECBINFHSA-N 1 0 210.281 0.399 10 0 BCAERO CC(C)[C@@H]([NH3+])CC(=O)NCC1CCOCC1 ZINC000129066944 488072130 /nfs/dbraw/zinc/07/21/30/488072130.db2.gz YKJGUSUHSYEHIM-NSHDSACASA-N 1 0 228.336 0.903 10 0 BCAERO CO[C@@H]1CCCN(C(=O)C[C@@H]([NH3+])C(C)C)C1 ZINC000230246721 488078116 /nfs/dbraw/zinc/07/81/16/488078116.db2.gz ZPRAHMYTDQQVPL-GHMZBOCLSA-N 1 0 228.336 0.997 10 0 BCAERO [NH3+][C@H]1CCCN(C(=O)Cc2cscn2)C1 ZINC000257661752 488078051 /nfs/dbraw/zinc/07/80/51/488078051.db2.gz JEDBQKSUOUZAQU-QMMMGPOBSA-N 1 0 225.317 0.635 10 0 BCAERO CO[C@H]1CCCN(C(=O)C[C@@H]([NH3+])C(C)C)C1 ZINC000230246725 488078209 /nfs/dbraw/zinc/07/82/09/488078209.db2.gz ZPRAHMYTDQQVPL-WDEREUQCSA-N 1 0 228.336 0.997 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)N[C@@H](CCO)C(C)C ZINC000225810826 488080324 /nfs/dbraw/zinc/08/03/24/488080324.db2.gz LUKJVORQTCCTQA-MNOVXSKESA-N 1 0 230.352 0.883 10 0 BCAERO Cc1nccc(C(=O)N2CCC[C@H]2C[NH3+])n1 ZINC000257701889 488084567 /nfs/dbraw/zinc/08/45/67/488084567.db2.gz OHVKPUVBDNNQBR-VIFPVBQESA-N 1 0 220.276 0.348 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)N1CC[NH+](C(C)C)CC1 ZINC000136314790 488094719 /nfs/dbraw/zinc/09/47/19/488094719.db2.gz MLIPBTGLIFHXJA-GFCCVEGCSA-N 1 0 241.379 0.912 10 0 BCAERO CNC(=O)C(C)(C)C[NH2+][C@@H]1CCCC[C@H]1O ZINC000230397623 488097367 /nfs/dbraw/zinc/09/73/67/488097367.db2.gz JADNRZUPCRCJRD-NXEZZACHSA-N 1 0 228.336 0.652 10 0 BCAERO CC(C)[C@@H]([NH3+])CC(=O)N(C)Cc1cnn(C)c1 ZINC000136377693 488100812 /nfs/dbraw/zinc/10/08/12/488100812.db2.gz QYLZYJTWZKLBBU-NSHDSACASA-N 1 0 238.335 0.752 10 0 BCAERO CC(C)C(=O)NCCNC(=O)C[C@H]([NH3+])C(C)C ZINC000136426037 488102620 /nfs/dbraw/zinc/10/26/20/488102620.db2.gz WROLSZRWFQGQBL-JTQLQIEISA-N 1 0 243.351 0.248 10 0 BCAERO COCC[N@H+](C)CCNC(=O)C[C@@H]([NH3+])C(C)C ZINC000136454803 488103518 /nfs/dbraw/zinc/10/35/18/488103518.db2.gz YIEDWVOQQYRJPZ-LLVKDONJSA-N 1 0 245.367 0.054 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@@H]1CCS[C@H]1C ZINC000378900175 488109716 /nfs/dbraw/zinc/10/97/16/488109716.db2.gz GQNPYMFSNULPOV-UTINFBMNSA-N 1 0 228.361 0.852 10 0 BCAERO COC[C@H](C)NC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000085009071 488121526 /nfs/dbraw/zinc/12/15/26/488121526.db2.gz VLPXYJDGADVPNM-CIUDSAMLSA-N 1 0 200.282 0.265 10 0 BCAERO CCC(CC)[C@H](O)CNC(=O)[C@@H](C)[NH2+]C ZINC000230625067 488129224 /nfs/dbraw/zinc/12/92/24/488129224.db2.gz CHKHTDALCNZWEE-PSASIEDQSA-N 1 0 216.325 0.508 10 0 BCAERO CNC(=O)[C@H]1CCC[N@@H+]([C@@H]2CCC[C@H]2O)C1 ZINC000232296712 487544733 /nfs/dbraw/zinc/54/47/33/487544733.db2.gz YFTPMWHZHMGVFE-HBNTYKKESA-N 1 0 226.320 0.358 10 0 BCAERO C[C@H]1CN(C(=O)CC[C@H]2CCC[NH2+]2)CCO1 ZINC000261566375 487545499 /nfs/dbraw/zinc/54/54/99/487545499.db2.gz DKKFWHUYUGWUNH-WDEREUQCSA-N 1 0 226.320 0.766 10 0 BCAERO C[C@@H]1CN(C(=O)CC[C@@H]2CCC[NH2+]2)CCO1 ZINC000261566373 487545905 /nfs/dbraw/zinc/54/59/05/487545905.db2.gz DKKFWHUYUGWUNH-MNOVXSKESA-N 1 0 226.320 0.766 10 0 BCAERO [NH3+]C[C@H]1CCCN1C(=O)c1ncccc1O ZINC000168855099 487547211 /nfs/dbraw/zinc/54/72/11/487547211.db2.gz URQBHQDJFCWJME-MRVPVSSYSA-N 1 0 221.260 0.351 10 0 BCAERO CCN(C[C@@H]1CCOC1)C(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000227803106 487549193 /nfs/dbraw/zinc/54/91/93/487549193.db2.gz URFQZCSPJVLZNT-SDDRHHMPSA-N 1 0 240.347 0.999 10 0 BCAERO COC[C@H]([NH3+])C(=O)N[C@@H](C(C)C)C1CC1 ZINC000323957167 487470989 /nfs/dbraw/zinc/47/09/89/487470989.db2.gz FNJCPPRBULZUGA-UWVGGRQHSA-N 1 0 214.309 0.511 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)NCc1csc(=O)[nH]1 ZINC000231705348 487471048 /nfs/dbraw/zinc/47/10/48/487471048.db2.gz DFBRDEINEDJUGO-MRVPVSSYSA-N 1 0 243.332 0.426 10 0 BCAERO C[C@@H](O)CCNC(=O)[C@@H]1[NH2+]CCc2ccccc21 ZINC000085990119 487471166 /nfs/dbraw/zinc/47/11/66/487471166.db2.gz BKUUUDBACQFXBO-ZWNOBZJWSA-N 1 0 248.326 0.761 10 0 BCAERO C[C@@H](O)CCNC(=O)c1ccccc1CC[NH3+] ZINC000085990067 487471176 /nfs/dbraw/zinc/47/11/76/487471176.db2.gz YNJSKCGGUWDTRD-SNVBAGLBSA-N 1 0 236.315 0.689 10 0 BCAERO CCN(C)C(=O)[C@@H](C)NC(=O)C[C@H]([NH3+])C(C)C ZINC000231854825 487482158 /nfs/dbraw/zinc/48/21/58/487482158.db2.gz KTCCHHWKNKLJFO-ZJUUUORDSA-N 1 0 243.351 0.343 10 0 BCAERO C[NH2+]C[C@@H](C)C(=O)NCC[C@@H]1CCCO1 ZINC000086067413 487477597 /nfs/dbraw/zinc/47/75/97/487477597.db2.gz VKDPKIFNDJUXDN-ZJUUUORDSA-N 1 0 214.309 0.527 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)N[C@H](CO)C(C)C ZINC000086124984 487484842 /nfs/dbraw/zinc/48/48/42/487484842.db2.gz WSFNHHHQYLSPDD-RKDXNWHRSA-N 1 0 202.298 0.247 10 0 BCAERO CC[C@H](C)[C@@H]([NH3+])C(=O)N[C@H](CO)C(C)C ZINC000086125802 487484856 /nfs/dbraw/zinc/48/48/56/487484856.db2.gz SDXIRLBDJPOHFV-IVZWLZJFSA-N 1 0 216.325 0.493 10 0 BCAERO CN(C)[C@@H]1CC[N@H+](CCC(C)(C)O)C1 ZINC000086234270 487491622 /nfs/dbraw/zinc/49/16/22/487491622.db2.gz DMWYLJOQVQOGND-SNVBAGLBSA-N 1 0 200.326 0.783 10 0 BCAERO CC(C)(CC(N)=O)NC(=O)C1CCC([NH3+])CC1 ZINC000227065023 487492155 /nfs/dbraw/zinc/49/21/55/487492155.db2.gz ILLJUXXIKRLGFK-UHFFFAOYSA-N 1 0 241.335 0.274 10 0 BCAERO CC(C)(CC(N)=O)NC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000227066514 487494095 /nfs/dbraw/zinc/49/40/95/487494095.db2.gz CPNDOTFCMSUXIF-DTWKUNHWSA-N 1 0 241.335 0.132 10 0 BCAERO COC[C@@H](C)NC[C@@H](O)C[N@H+](C)C(C)C ZINC000308791171 487494327 /nfs/dbraw/zinc/49/43/27/487494327.db2.gz BBRGUJAIRFWXAD-GHMZBOCLSA-N 1 0 218.341 0.312 10 0 BCAERO OC[C@H]1C[N@@H+]([C@@H]2CCC[C@H]2O)CCC1(F)F ZINC000403878824 488141876 /nfs/dbraw/zinc/14/18/76/488141876.db2.gz XLHCSGUHLFUXOW-OPRDCNLKSA-N 1 0 235.274 0.849 10 0 BCAERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)NC(C)(C)CC(N)=O ZINC000227069129 487502389 /nfs/dbraw/zinc/50/23/89/487502389.db2.gz ZGDRWEIIXQJNEZ-DTWKUNHWSA-N 1 0 241.335 0.145 10 0 BCAERO C[C@H](NC(=O)COCC[NH3+])C1CCCC1 ZINC000086435100 487506081 /nfs/dbraw/zinc/50/60/81/487506081.db2.gz LFMILEHVWRTPMQ-VIFPVBQESA-N 1 0 214.309 0.657 10 0 BCAERO COC[C@H](CN1CC[N@@H+]2CCC[C@H]2C1)OC ZINC000300374631 487512026 /nfs/dbraw/zinc/51/20/26/487512026.db2.gz IESVJFRWGBYOBM-RYUDHWBXSA-N 1 0 228.336 0.428 10 0 BCAERO C[C@@H]1OCC[C@H]1NC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000134553520 487518070 /nfs/dbraw/zinc/51/80/70/487518070.db2.gz WDIWKUOEHGLKGL-GARJFASQSA-N 1 0 226.320 0.670 10 0 BCAERO C[NH2+][C@H](C)C(=O)N[C@@H](C)C(=O)NC(C)(C)C ZINC000161909438 487525767 /nfs/dbraw/zinc/52/57/67/487525767.db2.gz MNIFGEGXJIHVAL-SFYZADRCSA-N 1 0 229.324 0.014 10 0 BCAERO COC[C@H](CN1C[C@H]2CCC[N@@H+]2C[C@@H]1C)OC ZINC000300565138 487522452 /nfs/dbraw/zinc/52/24/52/487522452.db2.gz JBTXVAVHRGBJQQ-XQQFMLRXSA-N 1 0 242.363 0.816 10 0 BCAERO C[C@@H](CCCCO)[NH2+][C@@H]1CCNC1=O ZINC000658052008 487534441 /nfs/dbraw/zinc/53/44/41/487534441.db2.gz GNASVAYLJMYTGO-DTWKUNHWSA-N 1 0 200.282 0.016 10 0 BCAERO CC(C)(C)[C@H](O)CNC(=O)CC1CC[NH2+]CC1 ZINC000324608625 487634614 /nfs/dbraw/zinc/63/46/14/487634614.db2.gz LFAVNKMJYUPKQD-LLVKDONJSA-N 1 0 242.363 0.899 10 0 BCAERO COCC[N@H+](C)CCNC(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000250010134 487726411 /nfs/dbraw/zinc/72/64/11/487726411.db2.gz UVSZPLJEUOHXPD-ZSBIGDGJSA-N 1 0 240.347 0.727 10 0 BCAERO C[C@@H]1CN(C(=O)[C@@H]2CCCOC2)C[C@@H]1[NH3+] ZINC000235330728 487944048 /nfs/dbraw/zinc/94/40/48/487944048.db2.gz FLRLJZRWNCECBN-BBBLOLIVSA-N 1 0 212.293 0.219 10 0 BCAERO CC[C@H]1CN(C(=O)[C@@H]2CC[NH2+]C2)[C@H](C)CO1 ZINC000653203581 487973622 /nfs/dbraw/zinc/97/36/22/487973622.db2.gz SHXIASIEYQBLNO-MXWKQRLJSA-N 1 0 226.320 0.622 10 0 BCAERO [NH3+]CCOCC(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000093231538 488146024 /nfs/dbraw/zinc/14/60/24/488146024.db2.gz SWIKDZHPHDQARB-MNOVXSKESA-N 1 0 242.319 0.132 10 0 BCAERO OCC[C@H]1CCC[N@@H+]([C@@H]2CCC[C@H]2O)C1 ZINC000051896853 488176136 /nfs/dbraw/zinc/17/61/36/488176136.db2.gz RMEGMAOWXWDYBO-IJLUTSLNSA-N 1 0 213.321 0.994 10 0 BCAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)CCc1ccccn1 ZINC000335801869 488184082 /nfs/dbraw/zinc/18/40/82/488184082.db2.gz HBDGUVLDXTWZGB-PWSUYJOCSA-N 1 0 233.315 0.962 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N[C@H]1CCSC1 ZINC000299962867 488195624 /nfs/dbraw/zinc/19/56/24/488195624.db2.gz PXORRLBLKYEFEZ-GUBZILKMSA-N 1 0 228.361 0.983 10 0 BCAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)[C@@H]1CCCO1 ZINC000085727157 488202581 /nfs/dbraw/zinc/20/25/81/488202581.db2.gz HFIBIUOBSHKXQE-AEJSXWLSSA-N 1 0 212.293 0.422 10 0 BCAERO C[NH2+][C@H](C)C(=O)Nc1cnc2c(c1)c(C)nn2C ZINC000054074044 488205615 /nfs/dbraw/zinc/20/56/15/488205615.db2.gz TZTMSJBEQCEABN-MRVPVSSYSA-N 1 0 247.302 0.823 10 0 BCAERO [NH3+]C1(CC(=O)N[C@H]2CCC[C@@H](O)C2)CC1 ZINC000398079361 488208064 /nfs/dbraw/zinc/20/80/64/488208064.db2.gz CUMSQCXFSRUBGM-DTWKUNHWSA-N 1 0 212.293 0.288 10 0 BCAERO CN(C[C@H]1CCCO1)C(=O)CC1([NH3+])CC1 ZINC000398149370 488212818 /nfs/dbraw/zinc/21/28/18/488212818.db2.gz CWWVDVRXYVGQKT-SECBINFHSA-N 1 0 212.293 0.505 10 0 BCAERO [NH3+]C1(C(=O)NC[C@H]2CCCC[C@H]2O)CCCC1 ZINC000085986926 488222458 /nfs/dbraw/zinc/22/24/58/488222458.db2.gz WLRZTXCEMVDFIU-GHMZBOCLSA-N 1 0 240.347 0.925 10 0 BCAERO C[C@@H]1C[C@@H](CO)C[N@@H+]([C@@H]2CCC[C@H]2O)C1 ZINC000398685393 488222784 /nfs/dbraw/zinc/22/27/84/488222784.db2.gz HKXNNAYATBWXQD-DDHJBXDOSA-N 1 0 213.321 0.850 10 0 BCAERO O[C@@H]1CCC[C@H]1[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000398986244 488225535 /nfs/dbraw/zinc/22/55/35/488225535.db2.gz FLIFSCDFJMSBSR-ZOLYEBIHSA-N 1 0 225.332 0.993 10 0 BCAERO COc1cc(F)cc(C[NH2+][C@@H]2CCNC2=O)c1 ZINC000678298746 488238510 /nfs/dbraw/zinc/23/85/10/488238510.db2.gz NTKLVECVVPLQEI-LLVKDONJSA-N 1 0 238.262 0.812 10 0 BCAERO Cc1cc(NC(=O)CC[C@H]2CCC[NH2+]2)no1 ZINC000381473946 490191869 /nfs/dbraw/zinc/19/18/69/490191869.db2.gz PUIQTYMLVIVMJX-SECBINFHSA-N 1 0 223.276 0.876 10 0 BCAERO Fc1cnc(NC[C@@H]2COCC[NH2+]2)nc1 ZINC000236214224 490192621 /nfs/dbraw/zinc/19/26/21/490192621.db2.gz AYZXGIBHASWCAA-MRVPVSSYSA-N 1 0 212.228 0.016 10 0 BCAERO C[C@@H]1CN(C(=O)[C@H]2CCC[C@H]2C[NH3+])CCCO1 ZINC000251701024 490260229 /nfs/dbraw/zinc/26/02/29/490260229.db2.gz IWFDIYHOVGRRKB-WOPDTQHZSA-N 1 0 240.347 0.999 10 0 BCAERO CC[C@@H]([NH3+])C(=O)N[C@H]1CCC[C@@H](O)C1 ZINC000084200065 490380107 /nfs/dbraw/zinc/38/01/07/490380107.db2.gz YLQSBHPAQJCUNK-DJLDLDEBSA-N 1 0 200.282 0.143 10 0 BCAERO C[NH2+][C@H](C)C(=O)N(C)C[C@@H]1CCOC1 ZINC000399244294 490407200 /nfs/dbraw/zinc/40/72/00/490407200.db2.gz JOOOQBXDOLOQMV-BDAKNGLRSA-N 1 0 200.282 0.089 10 0 BCAERO C[C@H](C[NH2+]CC1=CCCOC1)N1CCOCC1 ZINC000126348020 490491654 /nfs/dbraw/zinc/49/16/54/490491654.db2.gz DEQBXJXKCOSQCB-GFCCVEGCSA-N 1 0 240.347 0.643 10 0 BCAERO CC(C)[C@@H]([NH3+])CC(=O)N[C@H](CO)C(C)C ZINC000129128243 490600971 /nfs/dbraw/zinc/60/09/71/490600971.db2.gz AIZNCBRNOOGMJN-VHSXEESVSA-N 1 0 216.325 0.493 10 0 BCAERO COc1c(C[NH2+]CC(C)(C)CO)c(C)nn1C ZINC000136078425 491052705 /nfs/dbraw/zinc/05/27/05/491052705.db2.gz BORKBZSKNDUDSM-UHFFFAOYSA-N 1 0 241.335 0.845 10 0 BCAERO C[C@H]([NH3+])CC(=O)N1C[C@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000227411832 491077713 /nfs/dbraw/zinc/07/77/13/491077713.db2.gz RYRGPLUZRAKPGS-SDDRHHMPSA-N 1 0 239.363 0.809 10 0 BCAERO C[C@]1(C(=O)N2CC[C@@H]3COC[C@H]3C2)CCC[NH2+]1 ZINC000662920279 491118162 /nfs/dbraw/zinc/11/81/62/491118162.db2.gz UQDWMTGJWIANND-NQBHXWOUSA-N 1 0 238.331 0.623 10 0 BCAERO CC1(C)[C@@H]2CN(C(=O)[C@H]3C[NH2+]CCOC3)C[C@@H]21 ZINC000643715152 491122764 /nfs/dbraw/zinc/12/27/64/491122764.db2.gz FREOHBNLHAMBSH-GARJFASQSA-N 1 0 238.331 0.337 10 0 BCAERO CC1(C)CC(NC(=O)C2([NH3+])CCOCC2)C1 ZINC000395239641 491125804 /nfs/dbraw/zinc/12/58/04/491125804.db2.gz YBRYNOMRHSMVFW-UHFFFAOYSA-N 1 0 226.320 0.799 10 0 BCAERO CC[C@@H](C)[NH2+]C1CCN(CCO)CC1 ZINC000308587171 491137254 /nfs/dbraw/zinc/13/72/54/491137254.db2.gz ITKABOFFSNLBRC-SNVBAGLBSA-N 1 0 200.326 0.831 10 0 BCAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]Cc1cn[nH]c1 ZINC000309110997 491144881 /nfs/dbraw/zinc/14/48/81/491144881.db2.gz JRGVITLBTDWMKL-CBAPKCEASA-N 1 0 208.265 0.166 10 0 BCAERO O=C1NCC[C@H]1[NH2+]C1Cc2ccccc2C1 ZINC000309552857 491151286 /nfs/dbraw/zinc/15/12/86/491151286.db2.gz GMUIPDMJLMEDTC-GFCCVEGCSA-N 1 0 216.284 0.632 10 0 BCAERO CCOC[C@H](O)c1nc(CC[NH3+])cs1 ZINC000757126273 582501143 /nfs/dbraw/zinc/50/11/43/582501143.db2.gz GQWLMXDVQUUPTC-QMMMGPOBSA-N 1 0 216.306 0.714 10 0 BCAERO CCOC[C@H](O)c1nc(C[NH2+]C)cs1 ZINC000757132769 582508033 /nfs/dbraw/zinc/50/80/33/582508033.db2.gz UIOYCGWAUWQHPG-QMMMGPOBSA-N 1 0 216.306 0.932 10 0 BCAERO CCCC[NH2+]Cc1ccnc(S(N)(=O)=O)c1 ZINC000757136827 582516048 /nfs/dbraw/zinc/51/60/48/582516048.db2.gz TVABSHCEEDCOTJ-UHFFFAOYSA-N 1 0 243.332 0.619 10 0 BCAERO C1C[C@@]2(CO1)CC[NH2+][C@@]1(CCSC1)O2 ZINC000757138350 582517346 /nfs/dbraw/zinc/51/73/46/582517346.db2.gz BJQBNWVESPAJLF-ZJUUUORDSA-N 1 0 215.318 0.989 10 0 BCAERO C1C[NH2+]C[C@@]2(C1)NCC1(CCOCC1)CO2 ZINC000757138929 582518325 /nfs/dbraw/zinc/51/83/25/582518325.db2.gz DPYDOGXDIXIZHR-LBPRGKRZSA-N 1 0 226.320 0.483 10 0 BCAERO C1CSC[C@@]2(C1)[NH2+]C[C@@]1(COCCN1)CO2 ZINC000757138652 582518700 /nfs/dbraw/zinc/51/87/00/582518700.db2.gz DCPWIUNLOKGWTN-MNOVXSKESA-N 1 0 244.360 0.188 10 0 BCAERO C[N@@H+]1CCC[C@]2(CC1)NC1(COC1)CCO2 ZINC000757144641 582525222 /nfs/dbraw/zinc/52/52/22/582525222.db2.gz GKIGFKJATOQAJS-LBPRGKRZSA-N 1 0 226.320 0.577 10 0 BCAERO CC(C)(C)[C@@H]1C[NH2+][C@]2(CCS(=O)(=O)C2)OC1 ZINC000757145802 582528512 /nfs/dbraw/zinc/52/85/12/582528512.db2.gz ITRAIVOBRXNGKC-MWLCHTKSSA-N 1 0 247.360 0.783 10 0 BCAERO [NH3+]C[C@H]1CCN1CCOC1CCSCC1 ZINC000757146569 582530439 /nfs/dbraw/zinc/53/04/39/582530439.db2.gz ORURHLVUSDTFFD-SNVBAGLBSA-N 1 0 230.377 0.932 10 0 BCAERO CCn1nc(C)cc1CN1CC[C@H]1C[NH3+] ZINC000757147414 582531169 /nfs/dbraw/zinc/53/11/69/582531169.db2.gz URFUWHXAJRAGHV-JTQLQIEISA-N 1 0 208.309 0.744 10 0 BCAERO COC[C@@H]1CCOC2(CC[NH+](C3CC3)CC2)N1 ZINC000757148910 582532988 /nfs/dbraw/zinc/53/29/88/582532988.db2.gz OMMVDWGZCXPEGS-NSHDSACASA-N 1 0 240.347 0.966 10 0 BCAERO CC[C@H](C)[C@H]([NH3+])CS(=O)(=O)N1CCCC1 ZINC000757150215 582533962 /nfs/dbraw/zinc/53/39/62/582533962.db2.gz FCWFCDPWXCXYTA-VHSXEESVSA-N 1 0 234.365 0.785 10 0 BCAERO COC[C@@H]1CCO[C@]2(CCCOCC2)[NH2+]1 ZINC000757150581 582534896 /nfs/dbraw/zinc/53/48/96/582534896.db2.gz ROHJQLICLXRCKP-QWRGUYRKSA-N 1 0 215.293 0.908 10 0 BCAERO CC[C@]1(C)CCO[C@@]2(CCS(=O)(=O)C2)[NH2+]1 ZINC000757152442 582536687 /nfs/dbraw/zinc/53/66/87/582536687.db2.gz SJEQRYVUZJMDOK-NXEZZACHSA-N 1 0 233.333 0.680 10 0 BCAERO CCN(C)S(=O)(=O)C[C@@H](N)c1ccccn1 ZINC000757151371 582535934 /nfs/dbraw/zinc/53/59/34/582535934.db2.gz GODFDESBVMINLT-SECBINFHSA-N 1 0 243.332 0.363 10 0 BCAERO C[C@H]([NH3+])CS(=O)(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000757153414 582537736 /nfs/dbraw/zinc/53/77/36/582537736.db2.gz PDPZUFQRWHKJKX-GUBZILKMSA-N 1 0 234.365 0.641 10 0 BCAERO C[C@H](NC[C@H](O)C(F)(F)F)[C@H]1CCC[NH2+]1 ZINC000400585270 533898197 /nfs/dbraw/zinc/89/81/97/533898197.db2.gz RWTHPPRITNYIRZ-RNJXMRFFSA-N 1 0 226.242 0.640 10 0 BCAERO [NH3+]CCc1nc2n(n1)[C@@H](C(F)F)CCN2 ZINC000236269633 582643883 /nfs/dbraw/zinc/64/38/83/582643883.db2.gz YFLXKJSCLJVIAF-RXMQYKEDSA-N 1 0 217.223 0.401 10 0 BCAERO Cc1cnc([C@H](C)NC(=O)[C@H]2C[C@@H]([NH3+])C2)o1 ZINC000648154259 582687061 /nfs/dbraw/zinc/68/70/61/582687061.db2.gz MNJAKIQAPKNAOA-XHNCKOQMSA-N 1 0 223.276 0.898 10 0 BCAERO C[C@@H]1CN(C(=O)/C=C/c2cccnc2)C[C@@H]1[NH3+] ZINC000493395188 534274682 /nfs/dbraw/zinc/27/46/82/534274682.db2.gz DDNISFUWONVTFX-PRANIUCASA-N 1 0 231.299 0.900 10 0 BCAERO CC(C)CCNC(=O)[C@@H](C)[NH2+]C[C@@H](O)C1CC1 ZINC000071305339 517413118 /nfs/dbraw/zinc/41/31/18/517413118.db2.gz KJBFXLWFAGJQEJ-ZYHUDNBSSA-N 1 0 242.363 0.898 10 0 BCAERO CC(C)N(C)S(=O)(=O)N[C@@H]1CCCC[C@@H]1[NH3+] ZINC000042520571 517434426 /nfs/dbraw/zinc/43/44/26/517434426.db2.gz OSOBOKNHYXXBMQ-VHSXEESVSA-N 1 0 249.380 0.431 10 0 BCAERO O[C@@H]1CC[C@@H]2C[N@H+](CC3(O)CCC3)C[C@H]2C1 ZINC000425522910 518203541 /nfs/dbraw/zinc/20/35/41/518203541.db2.gz BYGXNTDVRHUYSE-IJLUTSLNSA-N 1 0 225.332 0.994 10 0 BCAERO CC(C)(C)OC(=O)N1C[C@H]2C[NH2+]C[C@@H](C1)C2O ZINC000095635318 518820040 /nfs/dbraw/zinc/82/00/40/518820040.db2.gz NXIZCOXUZZYOOJ-ULKQDVFKSA-N 1 0 242.319 0.434 10 0 BCAERO CCOC(=O)c1cn(C)c2c(c1=O)C[NH2+]C2 ZINC000072221116 521564461 /nfs/dbraw/zinc/56/44/61/521564461.db2.gz DQDBBZZKKWOHST-UHFFFAOYSA-N 1 0 222.244 0.165 10 0 BCAERO C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[C@@H]2C2CC2)C1 ZINC000261533479 536373187 /nfs/dbraw/zinc/37/31/87/536373187.db2.gz BCQSRESUKABXGG-MXWKQRLJSA-N 1 0 208.305 0.853 10 0 BCAERO CCn1cc(C(=O)N2CCC[NH2+]CC2)ccc1=O ZINC000229016842 523328607 /nfs/dbraw/zinc/32/86/07/523328607.db2.gz BXLCHAOZPOVZGP-UHFFFAOYSA-N 1 0 249.314 0.304 10 0 BCAERO CC(=O)CCCC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000185068245 534723016 /nfs/dbraw/zinc/72/30/16/534723016.db2.gz ONUFMTSGKKPHJR-LLVKDONJSA-N 1 0 226.320 0.908 10 0 BCAERO COCCNc1nc2c(c(NN)[nH+]1)CCCC2 ZINC000057331664 523966540 /nfs/dbraw/zinc/96/65/40/523966540.db2.gz CZXIBNWXKPXTRC-UHFFFAOYSA-N 1 0 237.307 0.699 10 0 BCAERO CC(C)[NH2+][C@](C)(Cn1cccn1)C(N)=O ZINC000045435138 582879072 /nfs/dbraw/zinc/87/90/72/582879072.db2.gz ZRSLJGCWYLZCFB-SNVBAGLBSA-N 1 0 210.281 0.125 10 0 BCAERO CC(C)(C)OC(=O)N1C[C@@H]2OC[C@H](C[NH3+])[C@@H]2C1 ZINC000307471820 526427943 /nfs/dbraw/zinc/42/79/43/526427943.db2.gz SCNZIMGXJYWNJL-GUBZILKMSA-N 1 0 242.319 0.827 10 0 BCAERO COC(=O)CN1CC[N@@H+]2CCCC[C@H]2C1 ZINC000248337673 536471188 /nfs/dbraw/zinc/47/11/88/536471188.db2.gz HMRKQVOBJFHNSS-JTQLQIEISA-N 1 0 212.293 0.330 10 0 BCAERO CC(C)(C)[C@H](CO)[NH2+]C[C@H]1CNC(=O)O1 ZINC000308921136 526700873 /nfs/dbraw/zinc/70/08/73/526700873.db2.gz CGGTXOCWQHKHBJ-YUMQZZPRSA-N 1 0 216.281 0.091 10 0 BCAERO [NH3+]CCOCCNC(=O)C1CCCC1 ZINC000082589684 527189718 /nfs/dbraw/zinc/18/97/18/527189718.db2.gz LSCAUSMZDRCHSX-UHFFFAOYSA-N 1 0 200.282 0.268 10 0 BCAERO [NH3+][C@@H]1CCN(c2cc3c(nn2)CCCC3)C1 ZINC000229016790 527364442 /nfs/dbraw/zinc/36/44/42/527364442.db2.gz XVXMAEMAHXVSOP-SNVBAGLBSA-N 1 0 218.304 0.893 10 0 BCAERO CC(C)CNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)C[C@H](O)C1 ZINC000401657484 528057316 /nfs/dbraw/zinc/05/73/16/528057316.db2.gz NXGKVDNPNPXAQL-SRVKXCTJSA-N 1 0 242.363 0.850 10 0 BCAERO CCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)C[C@H](O)C1 ZINC000401736033 528435938 /nfs/dbraw/zinc/43/59/38/528435938.db2.gz GNLIAIPILLRSHG-DCAQKATOSA-N 1 0 228.336 0.604 10 0 BCAERO CC/C=C\CC[N@@H+]1C[C@@H](OC)C[C@H]1C(N)=O ZINC000494664230 528790536 /nfs/dbraw/zinc/79/05/36/528790536.db2.gz ITFBLOMYPMCCIZ-XXJOZFEBSA-N 1 0 226.320 0.917 10 0 BCAERO CC(C)N(C)C(=O)CN1CC[C@]2(CC[NH2+]C2)C1 ZINC000261562743 534967534 /nfs/dbraw/zinc/96/75/34/534967534.db2.gz WNYLNDDBTVBXNQ-ZDUSSCGKSA-N 1 0 239.363 0.539 10 0 BCAERO CCCCCC[N@@H+]1C[C@H](O)C[C@@H]1CO ZINC000179178293 534990290 /nfs/dbraw/zinc/99/02/90/534990290.db2.gz FURLCGLOKIIYNF-GHMZBOCLSA-N 1 0 201.310 0.994 10 0 BCAERO CC(C)S(=O)(=O)CCN1C[C@@H](C[NH3+])C[C@H]1C ZINC000261534982 535095570 /nfs/dbraw/zinc/09/55/70/535095570.db2.gz VBZTXGYQSWWLDT-GHMZBOCLSA-N 1 0 248.392 0.479 10 0 BCAERO CCCNC(=O)[C@H](C)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261562328 535116834 /nfs/dbraw/zinc/11/68/34/535116834.db2.gz WFCZDPQBAMDUQK-QWRGUYRKSA-N 1 0 241.379 0.960 10 0 BCAERO CCC1(CNC(=O)[C@H]([NH3+])COC)CCC1 ZINC000232935795 535292546 /nfs/dbraw/zinc/29/25/46/535292546.db2.gz FBAFDSIPGGOMGH-SECBINFHSA-N 1 0 214.309 0.657 10 0 BCAERO CC(C)CCO[C@@H]1CCN(C(=O)C2C[NH2+]C2)C1 ZINC000262175252 535386002 /nfs/dbraw/zinc/38/60/02/535386002.db2.gz CZLQWXGFCBVCEJ-GFCCVEGCSA-N 1 0 240.347 0.869 10 0 BCAERO CCOCC(=O)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261537376 535411992 /nfs/dbraw/zinc/41/19/92/535411992.db2.gz VLBRJPUTPGZDNU-SECBINFHSA-N 1 0 214.309 0.609 10 0 BCAERO CCO[C@@H]1C[C@@H]1C(=O)N1CC[NH2+][C@@H](C)[C@H]1C ZINC000262735329 535425378 /nfs/dbraw/zinc/42/53/78/535425378.db2.gz CJPFGPZRPVPLKK-ZRUFSTJUSA-N 1 0 226.320 0.620 10 0 BCAERO CCO[C@@H]1C[C@@H]1C(=O)N1CC[C@H](C[NH3+])C1 ZINC000178588620 535427277 /nfs/dbraw/zinc/42/72/77/535427277.db2.gz BDCUGPYNPDLMPT-KXUCPTDWSA-N 1 0 212.293 0.219 10 0 BCAERO CCO[C@@H]1C[C@@H]1C(=O)NC1CC[NH2+]CC1 ZINC000261539056 535429685 /nfs/dbraw/zinc/42/96/85/535429685.db2.gz BLDAKDHBMXOTPV-VHSXEESVSA-N 1 0 212.293 0.280 10 0 BCAERO CCO[C@@H]1C[C@@H]1C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000262718482 535432019 /nfs/dbraw/zinc/43/20/19/535432019.db2.gz FDDNHRUKMBYOAO-UKKRHICBSA-N 1 0 226.320 0.526 10 0 BCAERO CCO[C@@H]1C[C@@H]1C(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000262718483 535434587 /nfs/dbraw/zinc/43/45/87/535434587.db2.gz FDDNHRUKMBYOAO-VPOLOUISSA-N 1 0 226.320 0.526 10 0 BCAERO CCC[C@@H]1C[C@@H]1NC(=O)[C@]1(COC)CC[NH2+]C1 ZINC000261553533 535463387 /nfs/dbraw/zinc/46/33/87/535463387.db2.gz NXWDMOVRVDOTRZ-NTZNESFSSA-N 1 0 240.347 0.917 10 0 BCAERO CCOCCC1(CNC(=O)C[NH2+]C)CC1 ZINC000193136625 535470340 /nfs/dbraw/zinc/47/03/40/535470340.db2.gz ANXGXOCUMSJVNJ-UHFFFAOYSA-N 1 0 214.309 0.529 10 0 BCAERO CC[NH2+]Cc1ccc(N2CCOCC2)nn1 ZINC000051399227 535478357 /nfs/dbraw/zinc/47/83/57/535478357.db2.gz PSZGZTBHULNSOL-UHFFFAOYSA-N 1 0 222.292 0.423 10 0 BCAERO CCO[C@@H]1C[C@H]1C(=O)N(C)CC(C)(C)C[NH3+] ZINC000262592404 535523434 /nfs/dbraw/zinc/52/34/34/535523434.db2.gz UQIGOQDAKDIBHZ-NXEZZACHSA-N 1 0 228.336 0.855 10 0 BCAERO CCO[C@@H]1C[C@H]1C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000191342336 535526237 /nfs/dbraw/zinc/52/62/37/535526237.db2.gz CEHPVYAKCREKOB-OPRDCNLKSA-N 1 0 212.293 0.361 10 0 BCAERO CCO[C@@H]1C[C@H]1C(=O)NC(C)(C)C[NH3+] ZINC000261537130 535527878 /nfs/dbraw/zinc/52/78/78/535527878.db2.gz UYMZUQIBZFVPLS-HTQZYQBOSA-N 1 0 200.282 0.265 10 0 BCAERO CCOCCCNC(=O)[C@H]1C[NH2+]C[C@H]1C ZINC000082558886 535544961 /nfs/dbraw/zinc/54/49/61/535544961.db2.gz SAPDZVXLITWUAU-ZJUUUORDSA-N 1 0 214.309 0.385 10 0 BCAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)CN(C)C ZINC000177423909 535545386 /nfs/dbraw/zinc/54/53/86/535545386.db2.gz ZORNGBYQEDJLNI-LLVKDONJSA-N 1 0 227.352 0.491 10 0 BCAERO CCOc1cncc(N2CC[NH2+][C@@H](C)C2)n1 ZINC000070570010 535566164 /nfs/dbraw/zinc/56/61/64/535566164.db2.gz QYFKUPOHUXTOJR-VIFPVBQESA-N 1 0 222.292 0.673 10 0 BCAERO CCOc1cncc(NC[C@H]2CC[NH2+]C2)n1 ZINC000087655236 535569495 /nfs/dbraw/zinc/56/94/95/535569495.db2.gz KMONNVCSWVSZBY-VIFPVBQESA-N 1 0 222.292 0.897 10 0 BCAERO CCOCCN(CC)C(=O)C1C[NH2+]C1 ZINC000084412226 535578449 /nfs/dbraw/zinc/57/84/49/535578449.db2.gz BGMPJKWWHLIFCG-UHFFFAOYSA-N 1 0 200.282 0.091 10 0 BCAERO CC[N@@H+]1CCC[C@H]1CN(C)CC(=O)NC(C)C ZINC000175359538 535590961 /nfs/dbraw/zinc/59/09/61/535590961.db2.gz SJXLOTUZGDMIGO-LBPRGKRZSA-N 1 0 241.379 0.927 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N(C)CCOCCCOC ZINC000262098388 535674677 /nfs/dbraw/zinc/67/46/77/535674677.db2.gz CDGQUYBEHPKWPT-NSHDSACASA-N 1 0 246.351 0.625 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N(C)CCOCC1CC1 ZINC000087399608 535675181 /nfs/dbraw/zinc/67/51/81/535675181.db2.gz MDLDUJSABCIWBI-NSHDSACASA-N 1 0 228.336 0.999 10 0 BCAERO CCNC(=O)N1CCN(c2cc[nH+]cc2N)CC1 ZINC000035081401 535791339 /nfs/dbraw/zinc/79/13/39/535791339.db2.gz OEJARBXURTUAND-UHFFFAOYSA-N 1 0 249.318 0.515 10 0 BCAERO CC[C@](C)(O)CN1CCO[C@@H](C[NH+](C)C)C1 ZINC000249129682 535847666 /nfs/dbraw/zinc/84/76/66/535847666.db2.gz RXQLWNOIPSFWHA-RYUDHWBXSA-N 1 0 230.352 0.410 10 0 BCAERO C[NH+](C)CCN1CCN(c2ccc(N)nc2)CC1 ZINC000035081339 535875241 /nfs/dbraw/zinc/87/52/41/535875241.db2.gz KUOAGVPWUTXYMG-UHFFFAOYSA-N 1 0 249.362 0.347 10 0 BCAERO CCn1nccc1NC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000262238650 535884910 /nfs/dbraw/zinc/88/49/10/535884910.db2.gz RGIIVUDMHSNQJR-JGVFFNPUSA-N 1 0 226.255 0.542 10 0 BCAERO CCn1c(C)nnc1CN(C)[C@@H](C)C[NH3+] ZINC000261540788 535972229 /nfs/dbraw/zinc/97/22/29/535972229.db2.gz FFJROXNUPPXVOX-QMMMGPOBSA-N 1 0 211.313 0.385 10 0 BCAERO CCn1c(C)nnc1CN1CC[C@H]([NH3+])[C@H](C)C1 ZINC000261981403 535974630 /nfs/dbraw/zinc/97/46/30/535974630.db2.gz IBCWDTQTIGRCMT-KOLCDFICSA-N 1 0 237.351 0.776 10 0 BCAERO CC[C@H](O)C[N@@H+]1CCC[C@H]1CCCO ZINC000251133797 535985456 /nfs/dbraw/zinc/98/54/56/535985456.db2.gz YUJJVMXUFZPIAZ-QWRGUYRKSA-N 1 0 201.310 0.994 10 0 BCAERO CN(C(=O)[C@H]1C[C@@]12CC[NH2+]C2)C1CCC1 ZINC000261533191 536065480 /nfs/dbraw/zinc/06/54/80/536065480.db2.gz AWQBGYHVQFQNJU-ZYHUDNBSSA-N 1 0 208.305 0.997 10 0 BCAERO CC[C@H](CCO)CNC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000087370028 536088919 /nfs/dbraw/zinc/08/89/19/536088919.db2.gz XJALUZKFUFBIES-MXWKQRLJSA-N 1 0 228.336 0.639 10 0 BCAERO CC[C@H]1CN(C(=O)[C@@H]([NH3+])C(C)C)C[C@@H]1O ZINC000261544545 536125797 /nfs/dbraw/zinc/12/57/97/536125797.db2.gz IZVZNFUXHDHWGU-GUBZILKMSA-N 1 0 214.309 0.199 10 0 BCAERO CCN1CCO[C@H](Cn2cc[nH+]c2N)C1 ZINC000702470768 582926410 /nfs/dbraw/zinc/92/64/10/582926410.db2.gz FWPGACOCEUIFJH-VIFPVBQESA-N 1 0 210.281 0.186 10 0 BCAERO CCc1nn(C)cc1CNC(=O)C[C@H](C)[NH3+] ZINC000167880752 536186965 /nfs/dbraw/zinc/18/69/65/536186965.db2.gz YBUGMLWUYGWUKA-QMMMGPOBSA-N 1 0 224.308 0.336 10 0 BCAERO COc1ncccc1Cn1cc[nH+]c1N ZINC000702450391 582926641 /nfs/dbraw/zinc/92/66/41/582926641.db2.gz PCCRWDNTPZSCPC-UHFFFAOYSA-N 1 0 204.233 0.917 10 0 BCAERO CC(C)CNC(=O)[C@@H](C)n1cc[nH+]c1N ZINC000702466153 582926802 /nfs/dbraw/zinc/92/68/02/582926802.db2.gz GTSAZURKYFXXOR-MRVPVSSYSA-N 1 0 210.281 0.799 10 0 BCAERO C[NH2+][C@@H](C)CNC(=O)c1ccc(C(N)=O)s1 ZINC000261643323 536342479 /nfs/dbraw/zinc/34/24/79/536342479.db2.gz DLBABVNHBYQTEI-LURJTMIESA-N 1 0 241.316 0.185 10 0 BCAERO C[NH2+][C@@H](C)CNS(=O)(=O)c1cnc(C)s1 ZINC000261535636 536344319 /nfs/dbraw/zinc/34/43/19/536344319.db2.gz OWMNDKQNAOASRF-LURJTMIESA-N 1 0 249.361 0.338 10 0 BCAERO C[NH2+][C@H](C)CNC(=O)CN1CCCCCC1=O ZINC000261781471 536391858 /nfs/dbraw/zinc/39/18/58/536391858.db2.gz QDFFSVLSPGTGFA-SNVBAGLBSA-N 1 0 241.335 0.113 10 0 BCAERO C[NH2+][C@H](C)CNC(=O)CCn1cc(C)cn1 ZINC000261675104 536392248 /nfs/dbraw/zinc/39/22/48/536392248.db2.gz HDQAWMRKDXPCRF-SNVBAGLBSA-N 1 0 224.308 0.306 10 0 BCAERO C[NH2+][C@H](C)CNC(=O)c1c(C)noc1C ZINC000261535999 536399852 /nfs/dbraw/zinc/39/98/52/536399852.db2.gz QAJXOSZJZJJCFB-ZCFIWIBFSA-N 1 0 211.265 0.629 10 0 BCAERO C[NH2+][C@H](C)CNC(=O)c1c[nH]c2ncccc12 ZINC000261682861 536399915 /nfs/dbraw/zinc/39/99/15/536399915.db2.gz HSKSWCVMOCSVFA-MRVPVSSYSA-N 1 0 232.287 0.901 10 0 BCAERO C[NH2+][C@H](C)CNS(=O)(=O)CCC1CCC1 ZINC000261537438 536402986 /nfs/dbraw/zinc/40/29/86/536402986.db2.gz VOOSQHXQTVWFMJ-SECBINFHSA-N 1 0 234.365 0.704 10 0 BCAERO C[NH2+][C@H](C)CNc1nnnn1-c1ccccc1 ZINC000261561395 536404750 /nfs/dbraw/zinc/40/47/50/536404750.db2.gz VIPNVGRLXDYADV-SECBINFHSA-N 1 0 232.291 0.682 10 0 BCAERO C[NH2+][C@H]1CCCN([C@H]2CCN(C3CC3)C2=O)C1 ZINC000261760308 536414912 /nfs/dbraw/zinc/41/49/12/536414912.db2.gz MXDKVBJVUCKDRR-JQWIXIFHSA-N 1 0 237.347 0.434 10 0 BCAERO CN1CCN(c2ccc(C[NH2+]C3CC3)nn2)CC1 ZINC000051399556 536421607 /nfs/dbraw/zinc/42/16/07/536421607.db2.gz OUTONKFRWVVHQX-UHFFFAOYSA-N 1 0 247.346 0.480 10 0 BCAERO CNC(=O)c1ccc(CN2C[C@H](C)[C@H]([NH3+])C2)cc1 ZINC000261958371 536423410 /nfs/dbraw/zinc/42/34/10/536423410.db2.gz GWPRCAQZEDKQEE-GXFFZTMASA-N 1 0 247.342 0.825 10 0 BCAERO CO[C@H](C[NH3+])C(=O)N1C[C@@H]2CCCC[C@H]2C1 ZINC000261539449 536559233 /nfs/dbraw/zinc/55/92/33/536559233.db2.gz CLPSXHZKIQVZQS-GARJFASQSA-N 1 0 226.320 0.609 10 0 BCAERO COCCCNC(=O)[C@@H]1CCC[C@H]1[NH3+] ZINC000082920427 536580962 /nfs/dbraw/zinc/58/09/62/536580962.db2.gz CWXUBKBBHAWESL-RKDXNWHRSA-N 1 0 200.282 0.267 10 0 BCAERO COC(=O)[C@H](C)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261536763 536631356 /nfs/dbraw/zinc/63/13/56/536631356.db2.gz SVBMWEGJIGFTAR-QEYWKRMJSA-N 1 0 212.293 0.217 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N1CCC[C@@H]1CC(C)C ZINC000262203595 536654765 /nfs/dbraw/zinc/65/47/65/536654765.db2.gz DIQGPQRIMGHHPW-GHMZBOCLSA-N 1 0 228.336 0.997 10 0 BCAERO COC[C@]1(C(=O)N[C@H](C)C(C)C)CC[NH2+]C1 ZINC000261586961 536656768 /nfs/dbraw/zinc/65/67/68/536656768.db2.gz RKWJDBALGDJOHL-PWSUYJOCSA-N 1 0 228.336 0.773 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N1CC[C@@H](CC(C)C)C1 ZINC000262162979 536658417 /nfs/dbraw/zinc/65/84/17/536658417.db2.gz ACUZWCPACQDKRQ-WDEREUQCSA-N 1 0 228.336 0.855 10 0 BCAERO COC[C@@H]([NH3+])C(=O)NCc1scnc1C ZINC000088004291 536665549 /nfs/dbraw/zinc/66/55/49/536665549.db2.gz MYUVYDVFLILEFR-SSDOTTSWSA-N 1 0 229.305 0.041 10 0 BCAERO COC(=O)c1ccc(CN2CC[C@H]([NH3+])[C@H]2C)o1 ZINC000261556178 536672510 /nfs/dbraw/zinc/67/25/10/536672510.db2.gz QMODTPBYTRCOPJ-SCZZXKLOSA-N 1 0 238.287 0.988 10 0 BCAERO COC[C@@H]([NH3+])C(=O)Nc1ccc2nc(C)cn2c1 ZINC000262363047 536672490 /nfs/dbraw/zinc/67/24/90/536672490.db2.gz VUNDWJXFPAPMJP-SNVBAGLBSA-N 1 0 248.286 0.555 10 0 BCAERO COC[C@@H]([NH3+])C(=O)Nc1sc(C)nc1C ZINC000261569447 536675296 /nfs/dbraw/zinc/67/52/96/536675296.db2.gz GHUGMQACSZLBSI-SSDOTTSWSA-N 1 0 229.305 0.672 10 0 BCAERO COc1ccc(C(=O)N(C)C2C[NH2+]C2)cc1 ZINC000085257728 536692660 /nfs/dbraw/zinc/69/26/60/536692660.db2.gz ILQPJQLRANGDTF-UHFFFAOYSA-N 1 0 220.272 0.739 10 0 BCAERO COc1cc(C)nc(N2CC[C@@H]([NH3+])[C@@H]2C)n1 ZINC000261580151 536700970 /nfs/dbraw/zinc/70/09/70/536700970.db2.gz MSEGAPMSHSBMFI-DTWKUNHWSA-N 1 0 222.292 0.720 10 0 BCAERO COC[C@@H](O)C[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000171972619 536729709 /nfs/dbraw/zinc/72/97/09/536729709.db2.gz PVRCMQTXINADRK-NSHDSACASA-N 1 0 239.319 0.596 10 0 BCAERO COC1CCN(c2cc(C(N)=[NH2+])ccn2)CC1 ZINC000037266397 536756139 /nfs/dbraw/zinc/75/61/39/536756139.db2.gz YYPWGPLNGBMOGE-UHFFFAOYSA-N 1 0 234.303 0.981 10 0 BCAERO COC1CCN(c2ccc(C[NH3+])nn2)CC1 ZINC000051396791 536756276 /nfs/dbraw/zinc/75/62/76/536756276.db2.gz HNNPETVMHSVOSL-UHFFFAOYSA-N 1 0 222.292 0.551 10 0 BCAERO COc1ccccc1NCC(=O)NCC1C[NH2+]C1 ZINC000262040758 537087133 /nfs/dbraw/zinc/08/71/33/537087133.db2.gz RZROMXDRJZJAPY-UHFFFAOYSA-N 1 0 249.314 0.443 10 0 BCAERO C[C@H]([C@@H]([NH3+])C(N)=O)n1ccnc1C1CC1 ZINC000704164042 582938490 /nfs/dbraw/zinc/93/84/90/582938490.db2.gz CVXCBBCQWREJOZ-HTRCEHHLSA-N 1 0 208.265 0.134 10 0 BCAERO CCC[C@H]1C[C@H]1NC(=O)COC1(C)C[NH2+]C1 ZINC000219039575 537858403 /nfs/dbraw/zinc/85/84/03/537858403.db2.gz ZTDIOJPNMZZWIR-VHSXEESVSA-N 1 0 226.320 0.670 10 0 BCAERO CC[NH2+][C@@H](Cn1ncc(Cl)c1C)C(N)=O ZINC000070704484 537881404 /nfs/dbraw/zinc/88/14/04/537881404.db2.gz HXVFHVSRVRKPET-QMMMGPOBSA-N 1 0 230.699 0.308 10 0 BCAERO COCCC(=O)NC[C@@H]1CCCC[NH2+]C1 ZINC000308792791 537973059 /nfs/dbraw/zinc/97/30/59/537973059.db2.gz BLQDPLRTLCFZMB-SNVBAGLBSA-N 1 0 214.309 0.529 10 0 BCAERO CS(=O)(=O)c1cnn(-c2c[nH+]ccc2N)c1 ZINC000725250914 538028106 /nfs/dbraw/zinc/02/81/06/538028106.db2.gz BLUGIMAPVLLDGV-UHFFFAOYSA-N 1 0 238.272 0.083 10 0 BCAERO CC(C)(C)[C@H](C[NH3+])n1cc(S(C)(=O)=O)cn1 ZINC000725252884 538035043 /nfs/dbraw/zinc/03/50/43/538035043.db2.gz PDXWOCNCZAWPND-VIFPVBQESA-N 1 0 245.348 0.833 10 0 BCAERO Cn1nccc1-c1cc(=O)[nH]c([C@@H]2CC[NH2+]C2)n1 ZINC000725257110 538061221 /nfs/dbraw/zinc/06/12/21/538061221.db2.gz GXTWBUSGBJBRJK-MRVPVSSYSA-N 1 0 245.286 0.660 10 0 BCAERO Cn1nccc1Cn1nnc(C[NH3+])c1C(F)F ZINC000725257309 538063020 /nfs/dbraw/zinc/06/30/20/538063020.db2.gz KCVJJHXSOMTWRE-UHFFFAOYSA-N 1 0 242.233 0.456 10 0 BCAERO Cn1nccc1-c1c(C[NH3+])nnn1[C@H]1CCOC1 ZINC000725257673 538066352 /nfs/dbraw/zinc/06/63/52/538066352.db2.gz UGYZBMGCGNEAPR-QMMMGPOBSA-N 1 0 248.290 0.099 10 0 BCAERO CCC[NH2+][C@H](C)Cn1cc(S(C)(=O)=O)cn1 ZINC000725251534 566302311 /nfs/dbraw/zinc/30/23/11/566302311.db2.gz ARVXMVNMOLUACI-SECBINFHSA-N 1 0 245.348 0.675 10 0 BCAERO CCCOC(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725259267 566305493 /nfs/dbraw/zinc/30/54/93/566305493.db2.gz TWMISBHTUKRFGO-UHFFFAOYSA-N 1 0 224.264 0.986 10 0 BCAERO OCCN1CCC([NH2+]Cc2cc[nH]c2)CC1 ZINC000310041423 566323460 /nfs/dbraw/zinc/32/34/60/566323460.db2.gz YQASQWWIIOXDFO-UHFFFAOYSA-N 1 0 223.320 0.561 10 0 BCAERO CCCCS(=O)(=O)NC[C@H]1[C@@H]2C[NH2+]C[C@H]12 ZINC000675053709 566415589 /nfs/dbraw/zinc/41/55/89/566415589.db2.gz KCZRKGSFUGJTLR-MYJAWHEDSA-N 1 0 232.349 0.171 10 0 BCAERO CNS(=O)(=O)[C@H]1C2CC[NH+](CC2)C12CC2 ZINC000669376121 566422975 /nfs/dbraw/zinc/42/29/75/566422975.db2.gz GERPSDKVTMMMRH-VIFPVBQESA-N 1 0 230.333 0.162 10 0 BCAERO CCC(C)(C)[NH2+]C[C@@H](O)C[C@@]1(O)CCOC1 ZINC000669381298 566424469 /nfs/dbraw/zinc/42/44/69/566424469.db2.gz FIQDOGOSFMQFBV-JQWIXIFHSA-N 1 0 231.336 0.667 10 0 BCAERO CCC(C)(C)[NH2+]C[C@H](O)C[C@@]1(O)CCOC1 ZINC000669381299 566425529 /nfs/dbraw/zinc/42/55/29/566425529.db2.gz FIQDOGOSFMQFBV-PWSUYJOCSA-N 1 0 231.336 0.667 10 0 BCAERO CC(C)C[NH2+]C[C@H](O)C[C@@]1(O)CCOC1 ZINC000669381258 566425553 /nfs/dbraw/zinc/42/55/53/566425553.db2.gz DDVJBWPWRIHJKP-MNOVXSKESA-N 1 0 217.309 0.134 10 0 BCAERO COC(=O)c1c(C)nn2c1nccc2C[NH3+] ZINC000234606999 582461724 /nfs/dbraw/zinc/46/17/24/582461724.db2.gz LUJSGOOMHIZYMK-UHFFFAOYSA-N 1 0 220.232 0.283 10 0 BCAERO CO[C@H]1C[NH2+][C@H](CNC(=O)OC(C)(C)C)C1 ZINC000757123896 582498676 /nfs/dbraw/zinc/49/86/76/582498676.db2.gz UZCQJAUQLJDJRV-DTWKUNHWSA-N 1 0 230.308 0.888 10 0 BCAERO COCC[C@H](O)c1nc(C)c(C[NH3+])s1 ZINC000757128481 582503069 /nfs/dbraw/zinc/50/30/69/582503069.db2.gz LADWVZIQIHDAIG-ZETCQYMHSA-N 1 0 216.306 0.980 10 0 BCAERO CCCC[NH2+]Cc1ccc(S(N)(=O)=O)nc1 ZINC000757134957 582512864 /nfs/dbraw/zinc/51/28/64/582512864.db2.gz ADWNVJLRHZXIDQ-UHFFFAOYSA-N 1 0 243.332 0.619 10 0 BCAERO CC(C)[C@@H]1C[NH2+][C@]2(CCS(=O)(=O)C2)OC1 ZINC000757139921 582520294 /nfs/dbraw/zinc/52/02/94/582520294.db2.gz ADFXIMGVVDVBDM-NXEZZACHSA-N 1 0 233.333 0.393 10 0 BCAERO C1OCC12C[NH2+][C@@]1(CN3CCC1CC3)OC2 ZINC000757139856 582520452 /nfs/dbraw/zinc/52/04/52/582520452.db2.gz IMAROQIPPLZBMC-LBPRGKRZSA-N 1 0 224.304 0.045 10 0 BCAERO [NH3+]C[C@@H]1CCN1C[C@@H]1CCC(F)(F)CO1 ZINC000757141119 582521451 /nfs/dbraw/zinc/52/14/51/582521451.db2.gz CZHJDUYJOLFAKV-IUCAKERBSA-N 1 0 220.263 0.834 10 0 BCAERO CN(C)c1nc(CN2CC[C@@H]2C[NH3+])cs1 ZINC000757141465 582521796 /nfs/dbraw/zinc/52/17/96/582521796.db2.gz DFTSWZQVRWQWMU-SECBINFHSA-N 1 0 226.349 0.742 10 0 BCAERO CN(C)c1nc(CN2CC[C@H]2C[NH3+])cs1 ZINC000757141496 582521829 /nfs/dbraw/zinc/52/18/29/582521829.db2.gz DFTSWZQVRWQWMU-VIFPVBQESA-N 1 0 226.349 0.742 10 0 BCAERO CCc1cc(CN2CC[C@H]2C[NH3+])n(C)n1 ZINC000757142830 582523049 /nfs/dbraw/zinc/52/30/49/582523049.db2.gz FWDVTRFFOZWTNA-JTQLQIEISA-N 1 0 208.309 0.516 10 0 BCAERO [NH3+]C[C@H]1CCN1C[C@@H]1OCCC12CCC2 ZINC000757144992 582526268 /nfs/dbraw/zinc/52/62/68/582526268.db2.gz JXSVAECRUCLLDI-MNOVXSKESA-N 1 0 210.321 0.979 10 0 BCAERO [NH3+]C[C@H]1CCN1C[C@H]1OCCC12CCC2 ZINC000757144989 582526389 /nfs/dbraw/zinc/52/63/89/582526389.db2.gz JXSVAECRUCLLDI-GHMZBOCLSA-N 1 0 210.321 0.979 10 0 BCAERO CSc1ccnc(N2CC[C@@H]2C[NH3+])n1 ZINC000757145376 582527408 /nfs/dbraw/zinc/52/74/08/582527408.db2.gz LBTJBUPEAHPAOR-SSDOTTSWSA-N 1 0 210.306 0.736 10 0 BCAERO [NH3+]C[C@@H]1CCN1c1ncnc2c1CCC2 ZINC000757145499 582528089 /nfs/dbraw/zinc/52/80/89/582528089.db2.gz LUERWUDZALQULF-QMMMGPOBSA-N 1 0 204.277 0.503 10 0 BCAERO CC(C)(C)S(=O)(=O)CCN1CC[C@H]1C[NH3+] ZINC000757146217 582529192 /nfs/dbraw/zinc/52/91/92/582529192.db2.gz MZTVZKZJZXPTLU-VIFPVBQESA-N 1 0 234.365 0.233 10 0 BCAERO CCOc1ccnc(N2CC[C@@H]2C[NH3+])n1 ZINC000757146160 582529437 /nfs/dbraw/zinc/52/94/37/582529437.db2.gz NOYCSNQWXAMHBT-MRVPVSSYSA-N 1 0 208.265 0.413 10 0 BCAERO C1OCC12C[NH2+][C@@]1(CCCSC1)OC2 ZINC000757147763 582531500 /nfs/dbraw/zinc/53/15/00/582531500.db2.gz SSAYPSLJYXWFDZ-JTQLQIEISA-N 1 0 215.318 0.846 10 0 BCAERO CCn1cc(CN2CC[C@H]2C[NH3+])c(C)n1 ZINC000757148449 582533091 /nfs/dbraw/zinc/53/30/91/582533091.db2.gz SWICWLIZKMTXKB-NSHDSACASA-N 1 0 208.309 0.744 10 0 BCAERO C1C[C@]2(CO1)CC[NH2+][C@@]1(CN3CCC1CC3)O2 ZINC000757149947 582533809 /nfs/dbraw/zinc/53/38/09/582533809.db2.gz WMKFPKQHPRMPEB-STQMWFEESA-N 1 0 238.331 0.577 10 0 BCAERO COC[C@@H]1CCO[C@]2(CCC[NH2+]C2)N1 ZINC000757150646 582534824 /nfs/dbraw/zinc/53/48/24/582534824.db2.gz RQEGVPJKNKXWIG-UWVGGRQHSA-N 1 0 200.282 0.091 10 0 BCAERO CCCC[C@@H]([NH3+])CS(=O)(=O)N1CCC1 ZINC000757151555 582535568 /nfs/dbraw/zinc/53/55/68/582535568.db2.gz HRXZTXJNSWOALG-SECBINFHSA-N 1 0 220.338 0.539 10 0 BCAERO CCN(CC)S(=O)(=O)C[C@@H]([NH3+])C(C)C ZINC000757152408 582536783 /nfs/dbraw/zinc/53/67/83/582536783.db2.gz LRUITWKGNLVYEF-SECBINFHSA-N 1 0 222.354 0.641 10 0 BCAERO C[C@H]([NH3+])CS(=O)(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000757153412 582537336 /nfs/dbraw/zinc/53/73/36/582537336.db2.gz PDPZUFQRWHKJKX-AEJSXWLSSA-N 1 0 234.365 0.641 10 0 BCAERO CC(C)[C@@H](C[N@@H+]1CC[C@H]1C(N)=O)C(N)=S ZINC000757157127 582541024 /nfs/dbraw/zinc/54/10/24/582541024.db2.gz MPUQYGOKZCDWHV-SFYZADRCSA-N 1 0 229.349 0.104 10 0 BCAERO CCOC(=O)[C@@H]1C[NH2+]C[C@@]12CCSC2 ZINC000757184499 582554352 /nfs/dbraw/zinc/55/43/52/582554352.db2.gz KSMYITCCRGMEKV-WCBMZHEXSA-N 1 0 215.318 0.892 10 0 BCAERO CCCC[C@@H]([NH3+])[C@@H](O)C(=O)NC1CC1 ZINC000114495458 582634147 /nfs/dbraw/zinc/63/41/47/582634147.db2.gz UEWOYZVFQJKJOL-RKDXNWHRSA-N 1 0 200.282 0.143 10 0 BCAERO [NH3+]Cc1ccnc2c3c(nn21)NCCC3 ZINC000236210119 582641787 /nfs/dbraw/zinc/64/17/87/582641787.db2.gz YNVHRHNSRUUONK-UHFFFAOYSA-N 1 0 203.249 0.546 10 0 BCAERO [NH3+]CCc1nc2n(n1)[C@@H](C(F)(F)F)CCN2 ZINC000236269594 582643601 /nfs/dbraw/zinc/64/36/01/582643601.db2.gz SDUAXDDJJLBHIK-RXMQYKEDSA-N 1 0 235.213 0.698 10 0 BCAERO [NH3+]CC1([C@H]2CCCO2)CCS(=O)(=O)CC1 ZINC000725255117 582760499 /nfs/dbraw/zinc/76/04/99/582760499.db2.gz SMIOQABBOIFIQC-SECBINFHSA-N 1 0 233.333 0.319 10 0 BCAERO CC(C)(C)OC(=O)N1CCC([C@@H]([NH3+])CO)CC1 ZINC000118343768 582807097 /nfs/dbraw/zinc/80/70/97/582807097.db2.gz SWHXELIVNPDPBH-JTQLQIEISA-N 1 0 244.335 0.953 10 0 BCAERO Cc1cc(N)nc(N2CCn3ccnc3C2)[nH+]1 ZINC000892241159 582812501 /nfs/dbraw/zinc/81/25/01/582812501.db2.gz UVBFVLPYRDOKHQ-UHFFFAOYSA-N 1 0 230.275 0.584 10 0 BCAERO CC(=O)[C@H]1CCC[N@H+](CC(=O)N2CCCC2)C1 ZINC000111690428 582818199 /nfs/dbraw/zinc/81/81/99/582818199.db2.gz AWBOQSRCQULNQD-LBPRGKRZSA-N 1 0 238.331 0.910 10 0 BCAERO C[NH2+][C@H](C)C(=O)N1CCO[C@@H](C)[C@@H]1C ZINC000307101475 582841203 /nfs/dbraw/zinc/84/12/03/582841203.db2.gz HVCJWYPQNXFNQK-VGMNWLOBSA-N 1 0 200.282 0.230 10 0 BCAERO CC(=O)[C@@H]1CCC[N@H+](CCN2CCNC2=O)C1 ZINC000111712947 582861250 /nfs/dbraw/zinc/86/12/50/582861250.db2.gz RVPASDYGDDWJIW-LLVKDONJSA-N 1 0 239.319 0.313 10 0 BCAERO C[NH2+][C@](C)(CCCn1ccnc1)C(N)=O ZINC000045431757 582878334 /nfs/dbraw/zinc/87/83/34/582878334.db2.gz IEYUPVMXXAISTQ-SNVBAGLBSA-N 1 0 210.281 0.127 10 0 BCAERO CC[C@H](C[NH3+])[C@H](O)c1snnc1C ZINC000394828702 583016411 /nfs/dbraw/zinc/01/64/11/583016411.db2.gz BOCMTUIPKROSMZ-RQJHMYQMSA-N 1 0 201.295 0.865 10 0 BCAERO Cn1ccc(C[NH2+][C@H]2CCCN(CCO)C2)c1 ZINC000395039444 583032411 /nfs/dbraw/zinc/03/24/11/583032411.db2.gz JCDSPCBMRDCOKK-ZDUSSCGKSA-N 1 0 237.347 0.571 10 0 BCAERO C[C@@H]1C[C@@H]([NH2+][C@H]2CCCN(CCO)C2)CCO1 ZINC000395114182 583042823 /nfs/dbraw/zinc/04/28/23/583042823.db2.gz KHSHUOGPZYQNAX-AGIUHOORSA-N 1 0 242.363 0.600 10 0 BCAERO CCOC[C@@H]1C[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000399836112 583212462 /nfs/dbraw/zinc/21/24/62/583212462.db2.gz IZMJNDJSCSTSRX-WDEREUQCSA-N 1 0 209.293 0.760 10 0 BCAERO [NH3+]C[C@](O)(C1=CCOCC1)C(F)(F)F ZINC000675052507 583301770 /nfs/dbraw/zinc/30/17/70/583301770.db2.gz FSCXSPFUWFAYHF-ZETCQYMHSA-N 1 0 211.183 0.585 10 0 BCAERO COC(=O)[C@H]([NH3+])CCn1cc(C(C)C)cn1 ZINC000212149995 583584505 /nfs/dbraw/zinc/58/45/05/583584505.db2.gz QXVLESPIBXEXNF-SNVBAGLBSA-N 1 0 225.292 0.897 10 0 BCAERO Cn1ccnc1[C@H]1[C@H]([NH3+])CCC(=O)N1C1CC1 ZINC000385391362 585037174 /nfs/dbraw/zinc/03/71/74/585037174.db2.gz UYTXFVWVUMGIIN-MWLCHTKSSA-N 1 0 234.303 0.573 10 0 BCAERO [NH3+]CCc1csc([C@@H](O)C(F)F)n1 ZINC000757134727 586427295 /nfs/dbraw/zinc/42/72/95/586427295.db2.gz YTTGOYFWTADFAZ-YFKPBYRVSA-N 1 0 208.233 0.943 10 0 BCAERO CC(C)C[C@@H]([NH3+])CS(=O)(=O)N1CCC1 ZINC000757151664 586428920 /nfs/dbraw/zinc/42/89/20/586428920.db2.gz JEYMZRPEMSWCON-SECBINFHSA-N 1 0 220.338 0.395 10 0 BCAERO [NH3+][C@H](CS(=O)(=O)N1CCC1)C1CCCCC1 ZINC000757152388 586429300 /nfs/dbraw/zinc/42/93/00/586429300.db2.gz LGXFBYXDISZZJH-LLVKDONJSA-N 1 0 246.376 0.930 10 0 BCAERO CC(C)C[C@H]([NH3+])CS(=O)(=O)N1CCCC1 ZINC000757154109 586429311 /nfs/dbraw/zinc/42/93/11/586429311.db2.gz WKCULHVZKMSUOB-JTQLQIEISA-N 1 0 234.365 0.785 10 0 BCAERO [NH3+][C@H](CS(=O)(=O)N1CCC1)C1CCCC1 ZINC000757152107 586429481 /nfs/dbraw/zinc/42/94/81/586429481.db2.gz VNMCKYPSUXABLX-SNVBAGLBSA-N 1 0 232.349 0.539 10 0 BCAERO [NH3+][C@@H](CS(=O)(=O)N1CCC1)C1CCCC1 ZINC000757152106 586429588 /nfs/dbraw/zinc/42/95/88/586429588.db2.gz VNMCKYPSUXABLX-JTQLQIEISA-N 1 0 232.349 0.539 10 0 BCAERO C[C@@H](NC(=O)OC(C)(C)C)[C@@](C)([NH3+])CC(N)=O ZINC000757152999 586429748 /nfs/dbraw/zinc/42/97/48/586429748.db2.gz FIKOJQSTJBYIRV-HQJQHLMTSA-N 1 0 245.323 0.492 10 0 BCAERO C[C@H]([C@H]1CCCC[NH2+]1)N1CC[C@@H]1C(N)=O ZINC000757162180 586431639 /nfs/dbraw/zinc/43/16/39/586431639.db2.gz WYZRFFQAWIAFKE-OPRDCNLKSA-N 1 0 211.309 0.077 10 0 BCAERO C[C@H]([C@H]1CCCC[NH2+]1)N1CC[C@H]1C(N)=O ZINC000757162160 586431668 /nfs/dbraw/zinc/43/16/68/586431668.db2.gz WYZRFFQAWIAFKE-BBBLOLIVSA-N 1 0 211.309 0.077 10 0 BCAERO Nc1[nH]c(N2CC[NH2+]CC2)nc(=O)c1C1CCC1 ZINC000757180186 586433428 /nfs/dbraw/zinc/43/34/28/586433428.db2.gz WDZANNNQLYSATG-UHFFFAOYSA-N 1 0 249.318 0.442 10 0 BCAERO CCOC(=O)[C@H]1C[NH2+]C[C@@]12CN1CCC2CC1 ZINC000757185195 586434036 /nfs/dbraw/zinc/43/40/36/586434036.db2.gz PTYBXFZADXKXOF-YPMHNXCESA-N 1 0 238.331 0.481 10 0 BCAERO COC(=O)[C@@H]1C[NH2+]C[C@@]12CCS[C@H]2C ZINC000757184077 586434049 /nfs/dbraw/zinc/43/40/49/586434049.db2.gz IQRSZIVFNXBXOF-OYNCUSHFSA-N 1 0 215.318 0.891 10 0 BCAERO CCOC(=O)C1([C@@]2(O)CC[NH2+]C2)CCOCC1 ZINC000757183483 586434215 /nfs/dbraw/zinc/43/42/15/586434215.db2.gz PCAXCKFGXZFION-GFCCVEGCSA-N 1 0 243.303 0.071 10 0 BCAERO COC(=O)[C@@H]1C[NH2+]C[C@@H]1c1ncccc1F ZINC000757191260 586435513 /nfs/dbraw/zinc/43/55/13/586435513.db2.gz SKUYOWQOSJBVOQ-JGVFFNPUSA-N 1 0 224.235 0.697 10 0 BCAERO COC(=O)[C@@H]1CC[NH2+][C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000757206736 586437634 /nfs/dbraw/zinc/43/76/34/586437634.db2.gz AJIBQGJYXOXPND-VWYCJHECSA-N 1 0 226.320 0.527 10 0 BCAERO O=C([O-])[C@@H]1CCC[C@@H](C2CC[NH2+]CC2)[NH2+]1 ZINC000757207990 586437829 /nfs/dbraw/zinc/43/78/29/586437829.db2.gz BZLLTQPLCANLJR-UWVGGRQHSA-N 1 0 212.293 0.581 10 0 BCAERO [NH3+]Cc1cccc([C@H]2C[NH2+]C[C@@H](C(=O)[O-])C2)c1 ZINC000757211623 586438756 /nfs/dbraw/zinc/43/87/56/586438756.db2.gz HURMBAKOHTWHFH-NEPJUHHUSA-N 1 0 234.299 0.923 10 0 BCAERO O=C([O-])[C@@H]1[NH2+]CCC[C@H]1C1CC[NH2+]CC1 ZINC000757211606 586439093 /nfs/dbraw/zinc/43/90/93/586439093.db2.gz HUHDCHNVEYPLFV-VHSXEESVSA-N 1 0 212.293 0.439 10 0 BCAERO [NH3+][C@H]1CC[NH2+]C[C@@H]1c1cccc(C(=O)[O-])c1 ZINC000757213356 586439614 /nfs/dbraw/zinc/43/96/14/586439614.db2.gz JRGBCUTXRUBAIQ-MNOVXSKESA-N 1 0 220.272 0.789 10 0 BCAERO CCOC(=O)[C@@H]1CC[C@@H](c2cnnn2C)[NH2+]C1 ZINC000757215624 586440731 /nfs/dbraw/zinc/44/07/31/586440731.db2.gz WILXANSOSZRKNA-BDAKNGLRSA-N 1 0 238.291 0.419 10 0 BCAERO C[C@@H]1C[C@H](C(=O)[O-])C[C@@H](C2CC[NH2+]CC2)[NH2+]1 ZINC000757216996 586441092 /nfs/dbraw/zinc/44/10/92/586441092.db2.gz RBOTUFKKDINJTK-MIMYLULJSA-N 1 0 226.320 0.827 10 0 BCAERO CCn1cc([C@@H]2NC[C@H]([NH3+])C[C@H]2C)cn1 ZINC000757227134 586442602 /nfs/dbraw/zinc/44/26/02/586442602.db2.gz AWQHMMSGRMIVMH-FBIMIBRVSA-N 1 0 208.309 0.901 10 0 BCAERO Cc1ccc(N)cc1[C@@H]1C[NH2+]C[C@@H](N)C1 ZINC000757237579 586443979 /nfs/dbraw/zinc/44/39/79/586443979.db2.gz QGEZXEFANQUHAQ-ONGXEEELSA-N 1 0 205.305 0.981 10 0 BCAERO CCCCn1nnc2c1nc[nH+]c2NN ZINC000757567504 586461506 /nfs/dbraw/zinc/46/15/06/586461506.db2.gz NOGDZOPWJSWFJF-UHFFFAOYSA-N 1 0 207.241 0.307 10 0 BCAERO C[C@H](n1nnc2c1nc[nH+]c2NN)C(F)(F)F ZINC000757565953 586461541 /nfs/dbraw/zinc/46/15/41/586461541.db2.gz COZDHCIRIDFFRU-VKHMYHEASA-N 1 0 247.184 0.630 10 0 BCAERO NNc1[nH+]cnc2c1nnn2CC(F)(F)F ZINC000757568921 586461892 /nfs/dbraw/zinc/46/18/92/586461892.db2.gz SGVFQZLHFKSTFN-UHFFFAOYSA-N 1 0 233.157 0.069 10 0 BCAERO C[NH+](C)CCCn1nnc2c1ncnc2Cl ZINC000757568180 586462133 /nfs/dbraw/zinc/46/21/33/586462133.db2.gz PFYOMXVOKWDALV-UHFFFAOYSA-N 1 0 240.698 0.826 10 0 BCAERO NC(=O)c1ccc(-c2ccc(C[NH3+])nn2)cc1 ZINC000757571045 586462771 /nfs/dbraw/zinc/46/27/71/586462771.db2.gz IQNOEIICCQBCRB-UHFFFAOYSA-N 1 0 228.255 0.701 10 0 BCAERO COCCN1CC[N@H+](CCC(C)=O)C[C@H]1C ZINC000106110299 588252139 /nfs/dbraw/zinc/25/21/39/588252139.db2.gz UFSBFQTXYHBASL-LLVKDONJSA-N 1 0 228.336 0.618 10 0 BCAERO Cc1ccnn1[C@@H](C)C[C@](C)([NH3+])C(N)=O ZINC000203548560 589247057 /nfs/dbraw/zinc/24/70/57/589247057.db2.gz JWEQNKWABUQGTH-WPRPVWTQSA-N 1 0 210.281 0.345 10 0 BCAERO C[C@@H]1CN(C(=O)C[C@H]([NH3+])C2CC2)C[C@@H](C)O1 ZINC000123475517 589719866 /nfs/dbraw/zinc/71/98/66/589719866.db2.gz JHUXJQYQSDPNCR-KKZNHRDASA-N 1 0 226.320 0.750 10 0 BCAERO COC[C@H](C)NC(=O)C[C@H]([NH3+])C1CC1 ZINC000123490843 589730826 /nfs/dbraw/zinc/73/08/26/589730826.db2.gz VBKRHDJAMVJLQS-CBAPKCEASA-N 1 0 200.282 0.265 10 0 BCAERO C[C@H]1COCCN1C(=O)C[C@H]([NH3+])C1CC1 ZINC000123605556 589758042 /nfs/dbraw/zinc/75/80/42/589758042.db2.gz YKWLKGNPPKYXKH-WPRPVWTQSA-N 1 0 212.293 0.361 10 0 BCAERO C[C@@H](O)CCNC(=O)C[C@H]([NH3+])C1CC1 ZINC000124081754 589938952 /nfs/dbraw/zinc/93/89/52/589938952.db2.gz AOVPMJDHXDQTBH-APPZFPTMSA-N 1 0 200.282 0.001 10 0 BCAERO C[C@H]1OCC[C@H]1NC(=O)[C@@H]1CCCC[NH2+]1 ZINC000125350953 590162051 /nfs/dbraw/zinc/16/20/51/590162051.db2.gz KBOOQURDBJJESM-BBBLOLIVSA-N 1 0 212.293 0.422 10 0 BCAERO COc1cc(C)nc(N(C)[C@@H](C)C[NH3+])n1 ZINC000125482199 590166166 /nfs/dbraw/zinc/16/61/66/590166166.db2.gz OVQIMAYEEKOKLN-QMMMGPOBSA-N 1 0 210.281 0.577 10 0 BCAERO C[C@@H]([NH2+]CCC1OCCO1)[C@@H]1CCCO1 ZINC000126877550 590479233 /nfs/dbraw/zinc/47/92/33/590479233.db2.gz XNBPBRUZWKLQFX-ZJUUUORDSA-N 1 0 215.293 0.907 10 0 BCAERO C[C@@]1(C(=O)N[C@@H]2CCOC2)CCCC[NH2+]1 ZINC000127542123 590703888 /nfs/dbraw/zinc/70/38/88/590703888.db2.gz UMMZRROTJSXHMK-KOLCDFICSA-N 1 0 212.293 0.424 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)NCc1ccon1 ZINC000129150402 591259933 /nfs/dbraw/zinc/25/99/33/591259933.db2.gz IGMGOCOHOJVPIL-SECBINFHSA-N 1 0 211.265 0.664 10 0 BCAERO C[C@@]1(CNc2ccc(C(N)=O)nn2)CCC[NH2+]C1 ZINC000129328345 591278457 /nfs/dbraw/zinc/27/84/57/591278457.db2.gz SJHCIRDGDPMOQO-GFCCVEGCSA-N 1 0 249.318 0.377 10 0 BCAERO COC(=O)c1ccc(N(C)[C@H](C)C[NH3+])nc1 ZINC000212559942 591415256 /nfs/dbraw/zinc/41/52/56/591415256.db2.gz MJTDKPCUSFDSPO-MRVPVSSYSA-N 1 0 223.276 0.652 10 0 BCAERO COC(=O)c1cnc(N(C)C[C@@H](C)[NH3+])nc1 ZINC000212596718 591416410 /nfs/dbraw/zinc/41/64/10/591416410.db2.gz LYYNNVFAAUUQNQ-SSDOTTSWSA-N 1 0 224.264 0.047 10 0 BCAERO COC(=O)c1cncc(N(C)C[C@@H](C)[NH3+])n1 ZINC000212597028 591417212 /nfs/dbraw/zinc/41/72/12/591417212.db2.gz MRQARJBUSDNRPQ-SSDOTTSWSA-N 1 0 224.264 0.047 10 0 BCAERO C[NH2+][C@@H]1CCN(c2nccn3nc(C)cc23)C1 ZINC000129916782 591418422 /nfs/dbraw/zinc/41/84/22/591418422.db2.gz VMKVULWKSYQRFD-SNVBAGLBSA-N 1 0 231.303 0.836 10 0 BCAERO C[NH+](C)C1CCN(C(=O)n2ccnc2)CC1 ZINC000129962666 591424607 /nfs/dbraw/zinc/42/46/07/591424607.db2.gz CEEFGXWTDMUZBP-UHFFFAOYSA-N 1 0 222.292 0.877 10 0 BCAERO CC1(C)CN(c2ccnc(C(N)=O)c2)CC[NH2+]1 ZINC000212757323 591426477 /nfs/dbraw/zinc/42/64/77/591426477.db2.gz OJSXZVULBYYYEQ-UHFFFAOYSA-N 1 0 234.303 0.369 10 0 BCAERO CN(CCC[NH+](C)C)C(=O)n1ccnc1 ZINC000129990240 591427438 /nfs/dbraw/zinc/42/74/38/591427438.db2.gz NKQQWYZZGSKUKT-UHFFFAOYSA-N 1 0 210.281 0.735 10 0 BCAERO [NH3+]Cc1cc(C(=O)N[C@@H]2CCCOC2)ccn1 ZINC000130289553 591455747 /nfs/dbraw/zinc/45/57/47/591455747.db2.gz YRCAWNYUNXZLLW-SNVBAGLBSA-N 1 0 235.287 0.449 10 0 BCAERO C[C@@H]1CN(C(=S)NC2CC2)C[C@H]1[NH+](C)C ZINC000130403201 591464561 /nfs/dbraw/zinc/46/45/61/591464561.db2.gz RBAPJUMTZZLMGB-PSASIEDQSA-N 1 0 227.377 0.905 10 0 BCAERO CC(C)(C[NH3+])C(=O)NC[C@@H]1CCCC[C@H]1O ZINC000133142869 591768396 /nfs/dbraw/zinc/76/83/96/591768396.db2.gz OTWKDTMMOPAZBT-VHSXEESVSA-N 1 0 228.336 0.639 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)NOCC(F)(F)F ZINC000133910379 591869196 /nfs/dbraw/zinc/86/91/96/591869196.db2.gz XMNDROBGCADEQO-BQBZGAKWSA-N 1 0 240.225 0.972 10 0 BCAERO C[NH+]1CCC(CNC(=O)N2CCOCC2)CC1 ZINC000134237980 591904147 /nfs/dbraw/zinc/90/41/47/591904147.db2.gz HJEYCMDUKAQXJP-UHFFFAOYSA-N 1 0 241.335 0.370 10 0 BCAERO C[C@@H]1OCC[C@@H]1NC(=O)[C@]1(C)CC[NH2+]C1 ZINC000134259997 591907898 /nfs/dbraw/zinc/90/78/98/591907898.db2.gz VKVOAMUPFUTXSZ-ATZCPNFKSA-N 1 0 212.293 0.280 10 0 BCAERO O=C(C[C@@H]1CCC[NH2+]C1)NOCC(F)(F)F ZINC000134361937 591922166 /nfs/dbraw/zinc/92/21/66/591922166.db2.gz GPKAZVSQCWNUKC-ZETCQYMHSA-N 1 0 240.225 0.986 10 0 BCAERO C[C@H]1OCC[C@H]1NC(=O)C[C@@H]1CC[NH2+]C1 ZINC000134556920 591936193 /nfs/dbraw/zinc/93/61/93/591936193.db2.gz DFBUBLRKTHFMSG-KXUCPTDWSA-N 1 0 212.293 0.280 10 0 BCAERO COC(=O)C[C@H]([NH3+])c1c(C)nn(C)c1OC ZINC000135125412 591991291 /nfs/dbraw/zinc/99/12/91/591991291.db2.gz UOWRRVQZBIYFDG-ZETCQYMHSA-N 1 0 227.264 0.300 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)N1CCNC(=O)C1(C)C ZINC000136462547 592127596 /nfs/dbraw/zinc/12/75/96/592127596.db2.gz UFBWCKXDQYHNLB-SECBINFHSA-N 1 0 241.335 0.097 10 0 BCAERO COCC[N@@H+]1CCN(CC(OC)OC)C[C@@H]1C ZINC000136761252 592150271 /nfs/dbraw/zinc/15/02/71/592150271.db2.gz MAHOEULBVAISPQ-NSHDSACASA-N 1 0 246.351 0.258 10 0 BCAERO COC[C@H](CO)[NH2+]CCc1ccccc1 ZINC000219069944 592208551 /nfs/dbraw/zinc/20/85/51/592208551.db2.gz QDPFDUZLMRELAL-LBPRGKRZSA-N 1 0 209.289 0.826 10 0 BCAERO CN(CCOCC[NH3+])c1ncnc2c1CCC2 ZINC000302448834 592548316 /nfs/dbraw/zinc/54/83/16/592548316.db2.gz UYZANMVZTFHNBX-UHFFFAOYSA-N 1 0 236.319 0.377 10 0 BCAERO C[C@@H]1C[N@@H+](C[C@@H]2CNC(=O)O2)C[C@H](C)[C@H]1O ZINC000829281850 592707875 /nfs/dbraw/zinc/70/78/75/592707875.db2.gz OYOHPTLEEUVLAM-QCLAVDOMSA-N 1 0 228.292 0.044 10 0 BCAERO COCC[C@@H]([NH3+])C(=O)N1CCS[C@@H](C)C1 ZINC000123373708 592714132 /nfs/dbraw/zinc/71/41/32/592714132.db2.gz RLWRSUZCXOBTPB-DTWKUNHWSA-N 1 0 232.349 0.314 10 0 BCAERO CN1CCO[C@@H](C[NH2+][C@H]2COCC2(C)C)C1 ZINC000313091774 634450247 /nfs/dbraw/zinc/45/02/47/634450247.db2.gz UGGGUIUGNGKWIP-QWRGUYRKSA-N 1 0 228.336 0.332 10 0 BCAERO [NH3+]CC[C@H]1CCN(c2nccn3cnnc23)C1 ZINC000125506351 634524456 /nfs/dbraw/zinc/52/44/56/634524456.db2.gz KQDOXNPLGMYRJR-VIFPVBQESA-N 1 0 232.291 0.299 10 0 BCAERO Cn1cncc1CCC[NH2+]C(C)(C)CO ZINC000314063227 634601637 /nfs/dbraw/zinc/60/16/37/634601637.db2.gz YONAZYSZFPHHAI-UHFFFAOYSA-N 1 0 211.309 0.713 10 0 BCAERO O[C@@H](C[N@@H+]1CC[C@@H](N2CCOCC2)C1)C1CC1 ZINC000225551156 635413406 /nfs/dbraw/zinc/41/34/06/635413406.db2.gz DSHJTTLOGJMXRG-OLZOCXBDSA-N 1 0 240.347 0.164 10 0 BCAERO CC(C)OC[C@H](O)CN1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000226345859 635430512 /nfs/dbraw/zinc/43/05/12/635430512.db2.gz KMQZFELZPCJJOS-UPJWGTAASA-N 1 0 244.379 0.832 10 0 BCAERO Cc1nonc1CN(C)[C@H]1CCC[NH2+]CC1 ZINC000226465688 635435192 /nfs/dbraw/zinc/43/51/92/635435192.db2.gz VYIPGJVYXIINCT-JTQLQIEISA-N 1 0 224.308 0.952 10 0 BCAERO CCC(CC)(CNC(=O)[C@H]([NH3+])COC)SC ZINC000232931140 635521480 /nfs/dbraw/zinc/52/14/80/635521480.db2.gz IWJHTSVMONUTTK-SECBINFHSA-N 1 0 248.392 0.998 10 0 BCAERO CCCCOC[C@H](O)C[NH2+]C1CC(OC)C1 ZINC000232998545 635524027 /nfs/dbraw/zinc/52/40/27/635524027.db2.gz MKTDIPLGMNCPFS-MOENNCHZSA-N 1 0 231.336 0.931 10 0 BCAERO Cn1ccnc(NCCCCCC[NH3+])c1=O ZINC000236063782 635593165 /nfs/dbraw/zinc/59/31/65/635593165.db2.gz XPZXUYWBUZXKRH-UHFFFAOYSA-N 1 0 224.308 0.711 10 0 BCAERO N#Cc1cc(N2CC[N@@H+]3CCC[C@H]3C2)ncn1 ZINC000393879396 631224374 /nfs/dbraw/zinc/22/43/74/631224374.db2.gz KGNDTFCHVLCFMQ-NSHDSACASA-N 1 0 229.287 0.633 10 0 BCAERO C/C=C(/C)C[N@@H+]1C[C@H](O)[C@@H](N2CCOCC2)C1 ZINC000096852190 631251160 /nfs/dbraw/zinc/25/11/60/631251160.db2.gz NSSDEICZQBNYDX-IFXZSMIISA-N 1 0 240.347 0.330 10 0 BCAERO CCOC(=O)[C@@H](C)N1CC[C@@H]([NH+](C)C)C1 ZINC000220125240 631301175 /nfs/dbraw/zinc/30/11/75/631301175.db2.gz XNRZVGCWXTUVJV-NXEZZACHSA-N 1 0 214.309 0.574 10 0 BCAERO CC[S@](=O)CC[NH2+]C[C@@H](O)C(C)(C)C ZINC000308513653 631410065 /nfs/dbraw/zinc/41/00/65/631410065.db2.gz DFNCXOOKLJMXKI-OTYXRUKQSA-N 1 0 221.366 0.752 10 0 BCAERO Cc1cccnc1C(=O)NCC1CC([NH3+])C1 ZINC000084446957 631438620 /nfs/dbraw/zinc/43/86/20/631438620.db2.gz JRNOYXVZAJAZEC-UHFFFAOYSA-N 1 0 219.288 0.857 10 0 BCAERO CC(C)(O)C[NH2+]C[C@H]1CN2CCC[C@@H]2CO1 ZINC000085790569 631463479 /nfs/dbraw/zinc/46/34/79/631463479.db2.gz IICFAUMZYBDPBP-MNOVXSKESA-N 1 0 228.336 0.210 10 0 BCAERO C[C@H]([NH3+])c1cn(C[C@H](O)C(C)(C)C)nn1 ZINC000308795782 631467073 /nfs/dbraw/zinc/46/70/73/631467073.db2.gz KFKHPYWWGDSOAT-CBAPKCEASA-N 1 0 212.297 0.705 10 0 BCAERO COC[C@@H]([NH3+])C(=O)Nc1cccnc1OC ZINC000088003108 631484829 /nfs/dbraw/zinc/48/48/29/631484829.db2.gz BMBGGSPLGUUXNC-SSDOTTSWSA-N 1 0 225.248 0.002 10 0 BCAERO C[NH2+][C@@H](C)CNS(=O)(=O)N1CCCC[C@@H]1C ZINC000234434086 631523995 /nfs/dbraw/zinc/52/39/95/631523995.db2.gz DGTOKPZBHHZAFB-UWVGGRQHSA-N 1 0 249.380 0.303 10 0 BCAERO COC(=O)[C@H]1C[NH2+]C[C@@H]1c1cccc(OC)n1 ZINC000234552512 631588356 /nfs/dbraw/zinc/58/83/56/631588356.db2.gz HHNCVIDJJPPGTC-IUCAKERBSA-N 1 0 236.271 0.566 10 0 BCAERO C[C@@H]([NH3+])c1cn(C[C@@H](O)C(C)(C)C)nn1 ZINC000308795788 631649026 /nfs/dbraw/zinc/64/90/26/631649026.db2.gz KFKHPYWWGDSOAT-VXNVDRBHSA-N 1 0 212.297 0.705 10 0 BCAERO COC1CC([NH2+]C[C@H](O)Cn2cccn2)C1 ZINC000234693995 631664224 /nfs/dbraw/zinc/66/42/24/631664224.db2.gz HHJVTHBBAVDDNT-YVNMAJEFSA-N 1 0 225.292 0.011 10 0 BCAERO Cc1nn(C)cc1-c1cnn(CC[NH3+])c1 ZINC000309031591 631805457 /nfs/dbraw/zinc/80/54/57/631805457.db2.gz BYZDCDUSMCBGOW-UHFFFAOYSA-N 1 0 205.265 0.551 10 0 BCAERO CC[NH2+]CC(=O)NCC[C@@H]1CCCO1 ZINC000044650792 631819163 /nfs/dbraw/zinc/81/91/63/631819163.db2.gz LGFQNVZTQFKFKF-VIFPVBQESA-N 1 0 200.282 0.281 10 0 BCAERO Cc1cnn(C[C@](C)([NH2+]C2CC2)C(N)=O)c1 ZINC000045436421 631837536 /nfs/dbraw/zinc/83/75/36/631837536.db2.gz JKHPBSOPQWIUTH-NSHDSACASA-N 1 0 222.292 0.188 10 0 BCAERO CCOC(=O)[C@@H](C[NH3+])C[C@@H]1CCOC1 ZINC000051691089 631866511 /nfs/dbraw/zinc/86/65/11/631866511.db2.gz FWFJRSKBVYGJHW-DTWKUNHWSA-N 1 0 201.266 0.551 10 0 BCAERO Cn1ncc(C[NH2+]C[C@@H]2CCC[C@H]2O)n1 ZINC000309145876 631908317 /nfs/dbraw/zinc/90/83/17/631908317.db2.gz VDHWLQNHFQLKLI-WCBMZHEXSA-N 1 0 210.281 0.066 10 0 BCAERO C[NH2+][C@@H](Cn1ncc2ccccc21)C(N)=O ZINC000050528122 631998754 /nfs/dbraw/zinc/99/87/54/631998754.db2.gz OUODYDYDSWPREH-VIFPVBQESA-N 1 0 218.260 0.110 10 0 BCAERO C[C@H]1[C@H]([NH3+])CCN1C(=O)c1ccc[nH]c1=O ZINC000309334132 632002979 /nfs/dbraw/zinc/00/29/79/632002979.db2.gz TVZVRQNXUHQYRJ-IONNQARKSA-N 1 0 221.260 0.349 10 0 BCAERO Cc1nnc2c(NCC3CC([NH3+])C3)nccn12 ZINC000091525281 632051787 /nfs/dbraw/zinc/05/17/87/632051787.db2.gz PFULPRUZTJDQNN-UHFFFAOYSA-N 1 0 232.291 0.582 10 0 BCAERO Cc1cccc([C@H](C)[NH2+]C[C@@H](O)CO)c1 ZINC000122064365 632078950 /nfs/dbraw/zinc/07/89/50/632078950.db2.gz PYXVXADTOCZHPB-CMPLNLGQSA-N 1 0 209.289 0.999 10 0 BCAERO NC(=O)c1cc(N2CC[C@@H](CC[NH3+])C2)ccn1 ZINC000125474457 632106455 /nfs/dbraw/zinc/10/64/55/632106455.db2.gz AXAYNVUHIQYWQZ-SECBINFHSA-N 1 0 234.303 0.356 10 0 BCAERO CO[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CN(C)CCO1 ZINC000252643514 635712510 /nfs/dbraw/zinc/71/25/10/635712510.db2.gz NVMKNTJBKGCFDM-SDDRHHMPSA-N 1 0 228.336 0.474 10 0 BCAERO C[C@]1(C(=O)NC[C@@H](O)C(F)(F)F)CC[NH2+]C1 ZINC000226320721 635728878 /nfs/dbraw/zinc/72/88/78/635728878.db2.gz HSJOBOMZIOCNEC-SVRRBLITSA-N 1 0 240.225 0.025 10 0 BCAERO Cc1nnc2n1C[C@@H]([NH2+][C@H](C)CCO)CC2 ZINC000309503857 632432793 /nfs/dbraw/zinc/43/27/93/632432793.db2.gz BNCXDFLIUYRHCC-SCZZXKLOSA-N 1 0 224.308 0.262 10 0 BCAERO Cc1cc(N2CC[C@@H](CCO)C2)nc(N)[nH+]1 ZINC000161929392 632456226 /nfs/dbraw/zinc/45/62/26/632456226.db2.gz BPCWMBJQODBORL-VIFPVBQESA-N 1 0 222.292 0.576 10 0 BCAERO Cc1cc(N2CC[C@H](CCO)C2)nc(N)[nH+]1 ZINC000161929245 632457075 /nfs/dbraw/zinc/45/70/75/632457075.db2.gz BPCWMBJQODBORL-SECBINFHSA-N 1 0 222.292 0.576 10 0 BCAERO CC1(C(=O)N2CCO[C@H]3CCCC[C@H]32)C[NH2+]C1 ZINC000335565071 632500508 /nfs/dbraw/zinc/50/05/08/632500508.db2.gz NAFRCURYWVPAGT-MNOVXSKESA-N 1 0 238.331 0.766 10 0 BCAERO CC1(C(=O)N2CCO[C@@H]3CCCC[C@H]32)C[NH2+]C1 ZINC000335565070 632502199 /nfs/dbraw/zinc/50/21/99/632502199.db2.gz NAFRCURYWVPAGT-GHMZBOCLSA-N 1 0 238.331 0.766 10 0 BCAERO C[C@@H]1OCC[C@@H]1NC(=O)[C@@H]1C[C@H](C)CC[NH2+]1 ZINC000253150228 632565444 /nfs/dbraw/zinc/56/54/44/632565444.db2.gz DYLCARAYMCQGKJ-RCWTZXSCSA-N 1 0 226.320 0.668 10 0 BCAERO C[C@@H]1CC[NH2+][C@@H](C(=O)N[C@H]2CCCOC2)C1 ZINC000253157972 632567263 /nfs/dbraw/zinc/56/72/63/632567263.db2.gz QNPJXMBEQFKSKG-OUAUKWLOSA-N 1 0 226.320 0.670 10 0 BCAERO COC[C@@H]1CCN(C(=O)[C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000081062222 632628620 /nfs/dbraw/zinc/62/86/20/632628620.db2.gz XBUHZQYPXKRMAL-WOPDTQHZSA-N 1 0 240.347 0.999 10 0 BCAERO C[C@@H]1C[NH2+][C@@H](C)CN1c1ncnc2c1cnn2C ZINC000086471178 632648308 /nfs/dbraw/zinc/64/83/08/632648308.db2.gz SJLOOISKHWEUCS-DTWKUNHWSA-N 1 0 246.318 0.550 10 0 BCAERO CCO[C@H](C)C(=O)N[C@H]1CCC[NH2+][C@@H]1C ZINC000193534749 632746962 /nfs/dbraw/zinc/74/69/62/632746962.db2.gz GLIKJRCVTOZXDN-BBBLOLIVSA-N 1 0 214.309 0.668 10 0 BCAERO Cc1ncn(CCC[C@@](C)([NH3+])C(N)=O)c1C ZINC000051928086 632764866 /nfs/dbraw/zinc/76/48/66/632764866.db2.gz WAAGFNRRLHPUHZ-LLVKDONJSA-N 1 0 224.308 0.483 10 0 BCAERO [NH3+][C@@H](CO)C(=O)NCCCc1ccccc1 ZINC000039644731 632813670 /nfs/dbraw/zinc/81/36/70/632813670.db2.gz OTYCBPKKSZHYKE-NSHDSACASA-N 1 0 222.288 0.055 10 0 BCAERO C[C@H](C[C@@H]1CCC(=O)N1)[NH2+][C@H]1CCO[C@@H]1C ZINC000309261024 632854157 /nfs/dbraw/zinc/85/41/57/632854157.db2.gz QGQMMPRWVLDYBS-ZNSHCXBVSA-N 1 0 226.320 0.811 10 0 BCAERO Cc1cnn(CCNC(=O)C[NH2+]CC2CC2)c1 ZINC000235937011 632855685 /nfs/dbraw/zinc/85/56/85/632855685.db2.gz DYKVEQCPMYSVBT-UHFFFAOYSA-N 1 0 236.319 0.307 10 0 BCAERO C[NH+](C)[C@@H]1CCN(c2nc(N)nc(C3CC3)n2)C1 ZINC000310697262 632889837 /nfs/dbraw/zinc/88/98/37/632889837.db2.gz UYZIGZDDZCWMLH-SECBINFHSA-N 1 0 248.334 0.472 10 0 BCAERO COCC[C@H]([NH3+])C(=O)N[C@@H](C)C1CC1 ZINC000052791453 632895335 /nfs/dbraw/zinc/89/53/35/632895335.db2.gz XNDYCTVSQCAJSP-CBAPKCEASA-N 1 0 200.282 0.265 10 0 BCAERO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)N1CCCO1 ZINC000333773973 635852168 /nfs/dbraw/zinc/85/21/68/635852168.db2.gz CMTZUQYDEZTBHE-IUCAKERBSA-N 1 0 213.281 0.474 10 0 BCAERO C[NH2+]CCc1nc(Cc2ccncc2)no1 ZINC000053129724 633005152 /nfs/dbraw/zinc/00/51/52/633005152.db2.gz FYCJNOOBRYWPED-UHFFFAOYSA-N 1 0 218.260 0.817 10 0 BCAERO CC[C@H](C)CS(=O)(=O)NC1CC(C[NH3+])C1 ZINC000309458253 633091308 /nfs/dbraw/zinc/09/13/08/633091308.db2.gz OCVJOBZVWABPOZ-IDKOKCKLSA-N 1 0 234.365 0.689 10 0 BCAERO COc1cc(C)nc(NCC2CC([NH3+])C2)n1 ZINC000166489142 633115116 /nfs/dbraw/zinc/11/51/16/633115116.db2.gz JCPBGJARESFTCZ-UHFFFAOYSA-N 1 0 222.292 0.943 10 0 BCAERO Cn1ncc(N2CCC[C@@H]2C[NH3+])c(Cl)c1=O ZINC000167926047 633135810 /nfs/dbraw/zinc/13/58/10/633135810.db2.gz TXWPZWLFUGIFLL-SSDOTTSWSA-N 1 0 242.710 0.361 10 0 BCAERO COC[C@H](C)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000178945883 633139773 /nfs/dbraw/zinc/13/97/73/633139773.db2.gz NQELZQXSZHQJHD-VHSXEESVSA-N 1 0 214.309 0.385 10 0 BCAERO C[NH2+]C[C@H]1CCCN1C[C@@H](O)COC(C)C ZINC000169275313 633161331 /nfs/dbraw/zinc/16/13/31/633161331.db2.gz ARWUDXXHZAFQNH-VXGBXAGGSA-N 1 0 230.352 0.456 10 0 BCAERO Cc1cc(=O)[nH]c(C[NH2+][C@H](CO)C(C)C)n1 ZINC000309570746 633201167 /nfs/dbraw/zinc/20/11/67/633201167.db2.gz NOPOEDIKSLRILR-SECBINFHSA-N 1 0 225.292 0.597 10 0 BCAERO COC(=O)c1ccc(C[NH2+][C@@H](C)[C@H](C)O)o1 ZINC000309637354 633214904 /nfs/dbraw/zinc/21/49/04/633214904.db2.gz JTXKFODSJIOLJA-YUMQZZPRSA-N 1 0 227.260 0.925 10 0 BCAERO CNC(=O)[C@H]([NH2+]CCCCCCO)C(C)C ZINC000309630971 633217004 /nfs/dbraw/zinc/21/70/04/633217004.db2.gz HTXBRFPTQMZBRI-LLVKDONJSA-N 1 0 230.352 0.899 10 0 BCAERO COC(=O)c1occc1C[NH2+][C@@H](C)[C@@H](C)O ZINC000309665344 633220774 /nfs/dbraw/zinc/22/07/74/633220774.db2.gz SZSFKGWRULFWNN-JGVFFNPUSA-N 1 0 227.260 0.925 10 0 BCAERO COC[C@H](C)[NH2+]CCCNC(=O)C(F)(F)F ZINC000306496358 635967944 /nfs/dbraw/zinc/96/79/44/635967944.db2.gz XLVOYIGRYZXEIC-ZETCQYMHSA-N 1 0 242.241 0.680 10 0 BCAERO CON1CCC([NH2+][C@H]2CCC[C@H](O)C2)CC1 ZINC000323383750 633768155 /nfs/dbraw/zinc/76/81/55/633768155.db2.gz PYPRIPAXNVKGHV-RYUDHWBXSA-N 1 0 228.336 0.905 10 0 BCAERO CCCCC[C@@H](O)CC(=O)N[C@@H](C)C[NH3+] ZINC000309819595 633785186 /nfs/dbraw/zinc/78/51/86/633785186.db2.gz WASDHZHGYNVYFK-VHSXEESVSA-N 1 0 216.325 0.781 10 0 BCAERO [NH3+][C@@H](CO)C(=O)NC1CCCCCC1 ZINC000219862476 633870118 /nfs/dbraw/zinc/87/01/18/633870118.db2.gz BPUYKHOTTFIWIA-VIFPVBQESA-N 1 0 200.282 0.145 10 0 BCAERO C[NH2+]C1(C(=O)N(C)C[C@@H]2CCCO2)CCC1 ZINC000309244655 633875482 /nfs/dbraw/zinc/87/54/82/633875482.db2.gz LRLXDAAITAOINX-JTQLQIEISA-N 1 0 226.320 0.766 10 0 BCAERO COC(=O)c1coc(C[NH2+][C@H](C)[C@H](C)O)c1 ZINC000309458612 633922916 /nfs/dbraw/zinc/92/29/16/633922916.db2.gz NFPMZPYVRARHNG-SFYZADRCSA-N 1 0 227.260 0.925 10 0 BCAERO C[C@H]1COCCN1C(=O)[C@H]1[NH2+]CC1(C)C ZINC000309503009 633938174 /nfs/dbraw/zinc/93/81/74/633938174.db2.gz MCSSWEMVPONHSN-DTWKUNHWSA-N 1 0 212.293 0.232 10 0 BCAERO C/C=C(\C)C(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000309538577 633947362 /nfs/dbraw/zinc/94/73/62/633947362.db2.gz XRIFKGLTYDGPCT-PGNDRMTNSA-N 1 0 210.277 0.152 10 0 BCAERO C[C@H](NC(=O)[C@@H]1CCC[NH2+]C1)[C@H]1CCCO1 ZINC000035734998 634078314 /nfs/dbraw/zinc/07/83/14/634078314.db2.gz CZGHJLKXGWPKDJ-HBNTYKKESA-N 1 0 226.320 0.670 10 0 BCAERO CCCCOC(=O)CN1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000310309332 634111815 /nfs/dbraw/zinc/11/18/15/634111815.db2.gz DJFMMEOTFNNHQH-QJPTWQEYSA-N 1 0 240.347 0.999 10 0 BCAERO CC[N@@H+]1CCC[C@H]1CN(C)c1cc(=O)[nH]cn1 ZINC000162884813 635145839 /nfs/dbraw/zinc/14/58/39/635145839.db2.gz GMARECHYWQGIDF-JTQLQIEISA-N 1 0 236.319 0.690 10 0 BCAERO CN(C(=O)C1CC([NH3+])C1)c1cccnc1 ZINC000258705119 635189796 /nfs/dbraw/zinc/18/97/96/635189796.db2.gz LOSWUXFMSJUBND-UHFFFAOYSA-N 1 0 205.261 0.782 10 0 BCAERO CN(CCc1ccncc1)C(=O)C1CC([NH3+])C1 ZINC000258767186 635197266 /nfs/dbraw/zinc/19/72/66/635197266.db2.gz PNHPBRPNDYRXLY-UHFFFAOYSA-N 1 0 233.315 0.820 10 0 BCAERO C[C@H]([NH3+])CN(C)c1cc(NC2CC2)ncn1 ZINC000258766601 635197579 /nfs/dbraw/zinc/19/75/79/635197579.db2.gz QEIVMSQRGBHRNU-QMMMGPOBSA-N 1 0 221.308 0.834 10 0 BCAERO C[C@@H]([NH2+]Cc1cnc(N(C)C)nc1)[C@H](C)O ZINC000336672212 635199409 /nfs/dbraw/zinc/19/94/09/635199409.db2.gz AEHBUBWQCHDJER-BDAKNGLRSA-N 1 0 224.308 0.402 10 0 BCAERO CC[C@@H](CO)C(=O)N(C)C[C@H]1CC[N@H+](C)C1 ZINC000258832569 635210415 /nfs/dbraw/zinc/21/04/15/635210415.db2.gz SCZXVOUVYYCVJW-QWRGUYRKSA-N 1 0 228.336 0.415 10 0 BCAERO Cc1ccc(N(C)C(=O)[C@@H]([NH3+])CO)cc1 ZINC000258945654 635228462 /nfs/dbraw/zinc/22/84/62/635228462.db2.gz MPCDGOZLWMMESQ-JTQLQIEISA-N 1 0 208.261 0.277 10 0 BCAERO CN(C(=O)[C@@H]([NH3+])CO)c1ccc(F)cc1 ZINC000258996732 635231507 /nfs/dbraw/zinc/23/15/07/635231507.db2.gz QQAFFEFRVMHGST-VIFPVBQESA-N 1 0 212.224 0.108 10 0 BCAERO Cc1cc(CNC(=O)[C@@H]([NH3+])CO)ccc1F ZINC000259044781 635236499 /nfs/dbraw/zinc/23/64/99/635236499.db2.gz VEGRCBUXAGNPPG-JTQLQIEISA-N 1 0 226.251 0.070 10 0 BCAERO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1csnn1 ZINC000083591904 635358647 /nfs/dbraw/zinc/35/86/47/635358647.db2.gz ZROMEWWJGQWOBW-DHBOJHSNSA-N 1 0 238.316 0.551 10 0 BCAERO C1C[NH2+][C@H](c2nc([C@@H]3CN4CCN3CC4)no2)C1 ZINC000094506033 635364799 /nfs/dbraw/zinc/36/47/99/635364799.db2.gz AJTXXRWVQZGBJU-UWVGGRQHSA-N 1 0 249.318 0.166 10 0 BCAERO CC(C)NC(=O)N[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000669372367 636547752 /nfs/dbraw/zinc/54/77/52/636547752.db2.gz OGAQWLRFSLFZKZ-RNFRBKRXSA-N 1 0 239.241 0.844 10 0 BCAERO CC1(C)C[C@@H]1c1noc(-c2cn(CC[NH3+])nn2)n1 ZINC000232889982 636618272 /nfs/dbraw/zinc/61/82/72/636618272.db2.gz QWTDFHPHBXDZGH-SSDOTTSWSA-N 1 0 248.290 0.800 10 0 BCAERO O=C(NCCC1CCC1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000158300643 636634366 /nfs/dbraw/zinc/63/43/66/636634366.db2.gz JQVFRARBCVDRIB-NXEZZACHSA-N 1 0 212.293 0.016 10 0 BCAERO CN(CC[NH3+])S(=O)(=O)/C=C/c1ccccc1 ZINC000054418037 636635873 /nfs/dbraw/zinc/63/58/73/636635873.db2.gz MBGDJNSPAIZDJB-JXMROGBWSA-N 1 0 240.328 0.878 10 0 BCAERO C[C@H]([NH2+]C(C)(C)CO)C(=O)NC1CCCC1 ZINC000035102113 636742708 /nfs/dbraw/zinc/74/27/08/636742708.db2.gz WOVWYRZLXGQHNP-VIFPVBQESA-N 1 0 228.336 0.794 10 0 BCAERO CC(C)(C)NC(=O)C[NH2+]C(C)(C)CO ZINC000035114315 636791651 /nfs/dbraw/zinc/79/16/51/636791651.db2.gz DODFVCYWFPSLCI-UHFFFAOYSA-N 1 0 202.298 0.262 10 0 BCAERO C[C@H]([NH3+])C(=O)NC[C@@H]1CCCC[C@H]1O ZINC000082994844 636870684 /nfs/dbraw/zinc/87/06/84/636870684.db2.gz HLHKAFOGVGNKDS-XHNCKOQMSA-N 1 0 200.282 0.001 10 0 BCAERO C[C@@H]([NH3+])C(=O)NC[C@@H]1CCCC[C@H]1O ZINC000082994998 636870792 /nfs/dbraw/zinc/87/07/92/636870792.db2.gz HLHKAFOGVGNKDS-HRDYMLBCSA-N 1 0 200.282 0.001 10 0 BCAERO C[C@@H]([NH3+])C(=O)NC[C@@H]1CCCC[C@@H]1O ZINC000082994994 636871699 /nfs/dbraw/zinc/87/16/99/636871699.db2.gz HLHKAFOGVGNKDS-VGMNWLOBSA-N 1 0 200.282 0.001 10 0 BCAERO c1ccc2c(c1)C[C@@H](CN[C@H]1CC[NH2+]C1)O2 ZINC000086728899 636888766 /nfs/dbraw/zinc/88/87/66/636888766.db2.gz NVMZPDKQCOIPER-RYUDHWBXSA-N 1 0 218.300 0.942 10 0 BCAERO CON1CCC([NH2+][C@H]2CCO[C@@H]2C)CC1 ZINC000323138133 636903275 /nfs/dbraw/zinc/90/32/75/636903275.db2.gz WIVVDAOXFRXBQR-KOLCDFICSA-N 1 0 214.309 0.779 10 0 BCAERO C[C@H]([NH3+])CS(=O)(=O)N1CCCCCC1 ZINC000041234331 636978145 /nfs/dbraw/zinc/97/81/45/636978145.db2.gz UWYIVIFQTXLFAN-VIFPVBQESA-N 1 0 220.338 0.539 10 0 BCAERO Cc1n[nH]cc1C(=O)N1C[C@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000311053629 637011587 /nfs/dbraw/zinc/01/15/87/637011587.db2.gz HDZFXFJKITZJMU-GHMZBOCLSA-N 1 0 248.330 0.742 10 0 BCAERO CCN(c1ncc(F)cn1)[C@@H]1CC[NH2+]C1 ZINC000128498527 637080783 /nfs/dbraw/zinc/08/07/83/637080783.db2.gz KYAWVWVNHQWRKF-SECBINFHSA-N 1 0 210.256 0.804 10 0 BCAERO CSCC[C@@H]([NH3+])C(=O)N[C@@H]1CCC[C@@H](O)C1 ZINC000163589742 639252054 /nfs/dbraw/zinc/25/20/54/639252054.db2.gz BFTDBYOAVMVIMK-OPRDCNLKSA-N 1 0 246.376 0.487 10 0 BCAERO CC(C)Cc1nc([C@H]([NH3+])[C@@H](C)O)n(C)n1 ZINC000054698975 640319472 /nfs/dbraw/zinc/31/94/72/640319472.db2.gz OHWWKZYTDBZECS-VXNVDRBHSA-N 1 0 212.297 0.394 10 0 BCAERO [NH3+][C@H]1CCC[C@H](C(=O)NC2CCOCC2)C1 ZINC000055087770 640430401 /nfs/dbraw/zinc/43/04/01/640430401.db2.gz LITCSUARSBEJJN-UWVGGRQHSA-N 1 0 226.320 0.799 10 0 BCAERO COC(=O)[C@](C)([NH3+])CCCCn1ccnc1 ZINC000045431661 640556841 /nfs/dbraw/zinc/55/68/41/640556841.db2.gz PNWMUFJRWMMZOD-LLVKDONJSA-N 1 0 225.292 0.944 10 0 BCAERO CC[NH2+][C@](C)(CCn1ccnc1C)C(N)=O ZINC000045433127 640557396 /nfs/dbraw/zinc/55/73/96/640557396.db2.gz MTIQUSIQNJAJKO-LLVKDONJSA-N 1 0 224.308 0.435 10 0 BCAERO COC(=O)[C@@](C)([NH3+])CCCCn1cccn1 ZINC000045434570 640557439 /nfs/dbraw/zinc/55/74/39/640557439.db2.gz AECRWVRXWKWHDH-NSHDSACASA-N 1 0 225.292 0.944 10 0 BCAERO C[NH2+][C@@](C)(CCCCn1cccn1)C(N)=O ZINC000045434599 640557470 /nfs/dbraw/zinc/55/74/70/640557470.db2.gz OSDSKLQCOYWGDT-NSHDSACASA-N 1 0 224.308 0.517 10 0 BCAERO CC(C)[NH2+][C@](C)(Cn1cc(Cl)cn1)C(N)=O ZINC000045436939 640559379 /nfs/dbraw/zinc/55/93/79/640559379.db2.gz IPWCJTHSSNEGCE-SNVBAGLBSA-N 1 0 244.726 0.779 10 0 BCAERO COC(=O)[C@](C)([NH3+])CCn1nc(C)nc1C ZINC000045459735 640564636 /nfs/dbraw/zinc/56/46/36/640564636.db2.gz IRBGQNVIVZVFPF-SNVBAGLBSA-N 1 0 226.280 0.175 10 0 BCAERO Cc1nn(CC[C@@](C)([NH3+])C(N)=O)c(C)c1C ZINC000045458818 640565078 /nfs/dbraw/zinc/56/50/78/640565078.db2.gz XDGZCZAXWHCTRY-LLVKDONJSA-N 1 0 224.308 0.401 10 0 BCAERO CCOC(=O)[C@H]1C[NH2+]C[C@@H]1c1cncn1CC ZINC000166554783 640648845 /nfs/dbraw/zinc/64/88/45/640648845.db2.gz OKFFDFDCHFHMOT-UWVGGRQHSA-N 1 0 237.303 0.769 10 0 BCAERO C[C@@H](O)[C@H]([NH3+])c1nc(C(C)(C)C)nn1C ZINC000054698671 640710935 /nfs/dbraw/zinc/71/09/35/640710935.db2.gz IMIKHZNBQZYDBE-RQJHMYQMSA-N 1 0 212.297 0.493 10 0 BCAERO CC(C)OC[C@H](O)CN1CCC[C@@H]([NH3+])C1 ZINC000226126950 640733348 /nfs/dbraw/zinc/73/33/48/640733348.db2.gz PEPOOVZWMYRASV-GHMZBOCLSA-N 1 0 216.325 0.195 10 0 BCAERO CC(C)OCCC(=O)N1CCC[C@H]([NH3+])C1 ZINC000157851731 640756239 /nfs/dbraw/zinc/75/62/39/640756239.db2.gz NSRBWDAILUJUFX-JTQLQIEISA-N 1 0 214.309 0.751 10 0 BCAERO Cc1nonc1CN(C)[C@@H]1CCC[NH2+]CC1 ZINC000226465684 640767671 /nfs/dbraw/zinc/76/76/71/640767671.db2.gz VYIPGJVYXIINCT-SNVBAGLBSA-N 1 0 224.308 0.952 10 0 BCAERO C[C@H]1CN(C(=O)[C@H]2CCCC[NH2+]2)C[C@H](C)O1 ZINC000157940347 640782413 /nfs/dbraw/zinc/78/24/13/640782413.db2.gz AHOAANZCHLOTSA-GARJFASQSA-N 1 0 226.320 0.764 10 0 BCAERO COC(=O)C[C@H]([NH3+])[C@H](C)NC(=O)OC(C)(C)C ZINC000059161502 640790051 /nfs/dbraw/zinc/79/00/51/640790051.db2.gz GBBZCMKBIPHMJB-YUMQZZPRSA-N 1 0 246.307 0.790 10 0 BCAERO COC(=O)C(=O)[C@@H](C)[C@@H]1CCCCC[NH2+]1 ZINC000168398407 640803770 /nfs/dbraw/zinc/80/37/70/640803770.db2.gz LBFSLVRXUGXIAP-IUCAKERBSA-N 1 0 213.277 0.897 10 0 BCAERO CO[C@@H](c1noc([C@H]2C[NH2+]CCO2)n1)C1CC1 ZINC000227330303 640827908 /nfs/dbraw/zinc/82/79/08/640827908.db2.gz DIVOVXWAVYVOAI-RKDXNWHRSA-N 1 0 239.275 0.828 10 0 BCAERO Cc1cc(C)nc(NC[C@H]2C[NH2+]CCO2)n1 ZINC000227786500 640848234 /nfs/dbraw/zinc/84/82/34/640848234.db2.gz JNTRFBCCNZYRKL-SNVBAGLBSA-N 1 0 222.292 0.494 10 0 BCAERO [NH3+][C@@H]1CC[C@H](C(=O)NC[C@@H]2CCC[C@@H]2O)C1 ZINC000227811855 640849401 /nfs/dbraw/zinc/84/94/01/640849401.db2.gz XKTXFBUJORBQOB-MMWGEVLESA-N 1 0 226.320 0.391 10 0 BCAERO COC(=O)[C@@H]1C[N@H+](Cc2ccc(N)nc2)C[C@@H]1C ZINC000227836577 640850490 /nfs/dbraw/zinc/85/04/90/640850490.db2.gz OMUNGSUHRNJGAT-GXSJLCMTSA-N 1 0 249.314 0.905 10 0 BCAERO COC(=O)[C@@H]1C[N@H+](Cc2ccnc(N)c2)C[C@@H]1C ZINC000227836446 640850595 /nfs/dbraw/zinc/85/05/95/640850595.db2.gz RRBKRRKREPFKES-GXSJLCMTSA-N 1 0 249.314 0.905 10 0 BCAERO C[C@H](NC(=O)[C@@H]1CC[C@@H]([NH3+])C1)[C@@H]1CCCO1 ZINC000227877431 640852164 /nfs/dbraw/zinc/85/21/64/640852164.db2.gz MBHDNUHUHYFXOV-ZDCRXTMVSA-N 1 0 226.320 0.798 10 0 BCAERO CCCCOC[C@H](O)CN1CC[NH2+]C[C@@H]1C ZINC000227910298 640853411 /nfs/dbraw/zinc/85/34/11/640853411.db2.gz VJOJHTGGHSFDTH-NWDGAFQWSA-N 1 0 230.352 0.458 10 0 BCAERO CCCCOC[C@H](O)CN(C)CC[NH2+]C ZINC000227910713 640853485 /nfs/dbraw/zinc/85/34/85/640853485.db2.gz KMXIPAOQJYPCPJ-LLVKDONJSA-N 1 0 218.341 0.315 10 0 BCAERO CCCCOC[C@@H](O)CN1CC[NH2+][C@H](C)C1 ZINC000227911682 640853806 /nfs/dbraw/zinc/85/38/06/640853806.db2.gz SSVZBARFSIPJJF-NEPJUHHUSA-N 1 0 230.352 0.458 10 0 BCAERO CCCCOC[C@H](O)CN1CC[NH2+][C@H](C)C1 ZINC000227911688 640853814 /nfs/dbraw/zinc/85/38/14/640853814.db2.gz SSVZBARFSIPJJF-VXGBXAGGSA-N 1 0 230.352 0.458 10 0 BCAERO CCCCOC[C@H](O)C[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000227911465 640853957 /nfs/dbraw/zinc/85/39/57/640853957.db2.gz HTBVBASPNMSGFJ-YNEHKIRRSA-N 1 0 244.379 0.976 10 0 BCAERO CCN(C)C(=O)C[N@H+]1C[C@H](C(=O)OC)[C@H](C)C1 ZINC000228699611 640889961 /nfs/dbraw/zinc/88/99/61/640889961.db2.gz JBFPJMNSKRUFBM-ZJUUUORDSA-N 1 0 242.319 0.206 10 0 BCAERO COC(=O)C[C@H]([NH3+])c1cccc(OC)n1 ZINC000228854967 640899845 /nfs/dbraw/zinc/89/98/45/640899845.db2.gz SZZMDXXVYVSTSB-ZETCQYMHSA-N 1 0 210.233 0.653 10 0 BCAERO COC(=O)[C@H]1C[NH2+]C[C@H]1c1ccc(C)cn1 ZINC000229203562 640931149 /nfs/dbraw/zinc/93/11/49/640931149.db2.gz JILUKWYCBDTFSS-ZJUUUORDSA-N 1 0 220.272 0.866 10 0 BCAERO CC1(C)C[C@@H]1CNC(=O)C1([NH3+])CCOCC1 ZINC000229216440 640934592 /nfs/dbraw/zinc/93/45/92/640934592.db2.gz PBMJVCRCFSFSOS-SECBINFHSA-N 1 0 226.320 0.657 10 0 BCAERO CCc1nnc(C)cc1C(=O)NCC1CC([NH3+])C1 ZINC000229233881 640936464 /nfs/dbraw/zinc/93/64/64/640936464.db2.gz VLHXMBYCSYODDP-UHFFFAOYSA-N 1 0 248.330 0.815 10 0 BCAERO O=C(C[C@@H]1CCCO1)NC[C@@H]1CC[NH2+]C1 ZINC000087654784 640957229 /nfs/dbraw/zinc/95/72/29/640957229.db2.gz JJOALSAHIMRAFD-ZJUUUORDSA-N 1 0 212.293 0.281 10 0 BCAERO CC(C)[N@H+](C)C[C@H](O)CN1C[C@H](C)C[C@@H](O)C1 ZINC000401599191 640967123 /nfs/dbraw/zinc/96/71/23/640967123.db2.gz YGQZMLCAPAZOAJ-UPJWGTAASA-N 1 0 244.379 0.390 10 0 BCAERO C[C@H]1COCCN1C(=O)[C@H](C[NH3+])c1ccccc1 ZINC000061611365 640977772 /nfs/dbraw/zinc/97/77/72/640977772.db2.gz PRQPZJIEDZHWRG-WCQYABFASA-N 1 0 248.326 0.976 10 0 BCAERO c1cn2c(n1)CN(C[C@@H]1CCC[NH2+]C1)CC2 ZINC000062252193 641029329 /nfs/dbraw/zinc/02/93/29/641029329.db2.gz AZCXAAUVLWEHTB-LLVKDONJSA-N 1 0 220.320 0.698 10 0 BCAERO C[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H](O)C(F)(F)F ZINC000230190482 641035664 /nfs/dbraw/zinc/03/56/64/641035664.db2.gz CNVQDFHMHQKZIG-LYFYHCNISA-N 1 0 240.225 0.024 10 0 BCAERO CCn1nnc(C[NH3+])c1-c1ccncc1 ZINC000062297741 641035768 /nfs/dbraw/zinc/03/57/68/641035768.db2.gz BWCCPJZJMCJQFP-UHFFFAOYSA-N 1 0 203.249 0.819 10 0 BCAERO CC[NH2+][C@@H](CCn1cnc(C)c1C)C(N)=O ZINC000062538594 641056369 /nfs/dbraw/zinc/05/63/69/641056369.db2.gz ULRZEPANGLQZTC-JTQLQIEISA-N 1 0 224.308 0.353 10 0 BCAERO COC(=O)[C@@H]([NH3+])CCn1nc(C)cc1C ZINC000062535349 641057548 /nfs/dbraw/zinc/05/75/48/641057548.db2.gz MUIBNJCPYIICCT-VIFPVBQESA-N 1 0 211.265 0.390 10 0 BCAERO Cc1nccn1CC[C@@H]([NH2+]C1CC1)C(N)=O ZINC000062535105 641057654 /nfs/dbraw/zinc/05/76/54/641057654.db2.gz DUUCOTCYAHOYGK-SNVBAGLBSA-N 1 0 222.292 0.188 10 0 BCAERO CC(C)c1nccn1CC[C@@H]([NH3+])C(N)=O ZINC000062534374 641058376 /nfs/dbraw/zinc/05/83/76/641058376.db2.gz IYTWWRWSBCQFCK-MRVPVSSYSA-N 1 0 210.281 0.209 10 0 BCAERO Cc1cnn(CC[C@H]([NH2+]C(C)C)C(N)=O)c1 ZINC000062536033 641058850 /nfs/dbraw/zinc/05/88/50/641058850.db2.gz ZWKDWZSUIXMUIH-JTQLQIEISA-N 1 0 224.308 0.434 10 0 BCAERO C[NH2+][C@H](CCn1nc(C)c(C)c1C)C(N)=O ZINC000062536686 641059875 /nfs/dbraw/zinc/05/98/75/641059875.db2.gz BJOQVDNBWARCKA-SNVBAGLBSA-N 1 0 224.308 0.272 10 0 BCAERO S=C1OCCN1CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000172503445 641069493 /nfs/dbraw/zinc/06/94/93/641069493.db2.gz PTMOXKLMEHDBKJ-JTQLQIEISA-N 1 0 241.360 0.341 10 0 BCAERO C[C@@H](OC1C[NH2+]C1)C(=O)NC1CCCC1 ZINC000062809774 641093991 /nfs/dbraw/zinc/09/39/91/641093991.db2.gz RJLJJKMHJFENKH-MRVPVSSYSA-N 1 0 212.293 0.422 10 0 BCAERO C[NH+](C)[C@H]1CCN(Cc2ccc(N)nc2)C1 ZINC000062969300 641111765 /nfs/dbraw/zinc/11/17/65/641111765.db2.gz FXCOXUAVIBKWHJ-NSHDSACASA-N 1 0 220.320 0.800 10 0 BCAERO [NH3+]CCN(C[C@@H]1CCCO1)CC(F)(F)F ZINC000231617032 641187763 /nfs/dbraw/zinc/18/77/63/641187763.db2.gz XINKSJZOXXMTDH-QMMMGPOBSA-N 1 0 226.242 0.988 10 0 BCAERO C[N@H+](CCn1cccn1)[C@H]1CCC[NH2+]CC1 ZINC000231668180 641191965 /nfs/dbraw/zinc/19/19/65/641191965.db2.gz QIQQEMCFJYNAPB-LBPRGKRZSA-N 1 0 222.336 0.957 10 0 BCAERO C[NH+](C)[C@@H]1CCN(C(=O)C2=CCCCO2)C1 ZINC000174583838 641305522 /nfs/dbraw/zinc/30/55/22/641305522.db2.gz DUYVRANYSYNDSQ-SNVBAGLBSA-N 1 0 224.304 0.843 10 0 BCAERO C[C@H]([NH2+][C@@H]1CS(=O)(=O)C[C@H]1O)C1CCCC1 ZINC000088162998 641319089 /nfs/dbraw/zinc/31/90/89/641319089.db2.gz PSGJUDLZZUVIHH-JMJZKYOTSA-N 1 0 247.360 0.313 10 0 BCAERO CC(C)S(=O)(=O)CC[NH2+]C(C)(C)CO ZINC000232765758 641468287 /nfs/dbraw/zinc/46/82/87/641468287.db2.gz XDOCBCRGROGNRJ-UHFFFAOYSA-N 1 0 223.338 0.170 10 0 BCAERO C[C@]1(C(=O)NC[C@H]2CCC[C@@H]2O)CCC[NH2+]C1 ZINC000089169795 641510769 /nfs/dbraw/zinc/51/07/69/641510769.db2.gz QSXXWHFFCTURTI-MDZLAQPJSA-N 1 0 240.347 0.653 10 0 BCAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+][C@@H]1COCC1(C)C ZINC000313033132 641527586 /nfs/dbraw/zinc/52/75/86/641527586.db2.gz JMPYCBLCFDOJGO-IVZWLZJFSA-N 1 0 226.320 0.668 10 0 BCAERO CN(C[C@H]1CCCO1)C(=O)C[C@H]1CCC[NH2+]1 ZINC000042465725 641552359 /nfs/dbraw/zinc/55/23/59/641552359.db2.gz NUTIWAJLDMZBEW-GHMZBOCLSA-N 1 0 226.320 0.766 10 0 BCAERO Cc1cc(=O)[nH]cc1C(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000158022263 641626781 /nfs/dbraw/zinc/62/67/81/641626781.db2.gz OJVVGZWFGMSRAJ-GXSJLCMTSA-N 1 0 249.314 0.541 10 0 BCAERO Cn1cc(/C=C/C(=O)N2CCC[C@H]([NH3+])C2)cn1 ZINC000158309125 641629743 /nfs/dbraw/zinc/62/97/43/641629743.db2.gz TWIFYINAVVHXPX-ZWNMCFTASA-N 1 0 234.303 0.383 10 0 BCAERO OC[C@H]1COCCN1CCc1cccs1 ZINC000159243387 641673817 /nfs/dbraw/zinc/67/38/17/641673817.db2.gz XJHRDOZIJDJDQB-JTQLQIEISA-N 1 0 227.329 0.984 10 0 BCAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1CN1CCCC1=O ZINC000153206010 641730663 /nfs/dbraw/zinc/73/06/63/641730663.db2.gz BBIBDJGFCYGXIE-NWDGAFQWSA-N 1 0 237.347 0.735 10 0 BCAERO CC(C)(C)[C@H](O)CNC(=O)C[C@H]([NH3+])C1CC1 ZINC000324392829 641792825 /nfs/dbraw/zinc/79/28/25/641792825.db2.gz ZFJZHUNAXIQYHW-VHSXEESVSA-N 1 0 228.336 0.637 10 0 BCAERO CCC(=O)CC[N@@H+]1CCC[C@H](NC(C)=O)C1 ZINC000190191211 641849819 /nfs/dbraw/zinc/84/98/19/641849819.db2.gz IEOYQNAYYMWULM-NSHDSACASA-N 1 0 226.320 0.956 10 0 BCAERO CC[C@@](C)(O)C[NH2+][C@@H](C)c1nnnn1C1CC1 ZINC000191488088 641924574 /nfs/dbraw/zinc/92/45/74/641924574.db2.gz DYOWAYDESSLDKW-GZMMTYOYSA-N 1 0 239.323 0.820 10 0 BCAERO C[C@H]1C/[N+](=C/c2ccc(F)cc2)NC1=O ZINC000078578134 641937241 /nfs/dbraw/zinc/93/72/41/641937241.db2.gz QCHGUPPHFZZRQL-DPVXPKBMSA-O 1 0 207.228 0.938 10 0 BCAERO CO[C@@H]1C[NH2+][C@H](CNC(=O)OC(C)(C)C)C1 ZINC000950757560 641958492 /nfs/dbraw/zinc/95/84/92/641958492.db2.gz UZCQJAUQLJDJRV-IUCAKERBSA-N 1 0 230.308 0.888 10 0 BCAERO COC[C@@H](C)C(=O)NC1(C[NH3+])CCCC1 ZINC000154330703 642032891 /nfs/dbraw/zinc/03/28/91/642032891.db2.gz FSGAAWMSAXNNPO-SECBINFHSA-N 1 0 214.309 0.657 10 0 BCAERO CC1(C)C[C@](C[NH3+])(OCCO)CCO1 ZINC000232877278 642066352 /nfs/dbraw/zinc/06/63/52/642066352.db2.gz WFAPVHMGOGDUJU-SNVBAGLBSA-N 1 0 203.282 0.282 10 0 BCAERO CC1(C)C[C@@](C[NH3+])(OCCO)CCO1 ZINC000232894075 642163997 /nfs/dbraw/zinc/16/39/97/642163997.db2.gz WFAPVHMGOGDUJU-JTQLQIEISA-N 1 0 203.282 0.282 10 0 BCAERO [NH3+][C@H]1CC[C@@H](C(=O)N2CCn3ccnc3C2)C1 ZINC000091545174 642352034 /nfs/dbraw/zinc/35/20/34/642352034.db2.gz NYLCBFZGSLFINQ-ZJUUUORDSA-N 1 0 234.303 0.353 10 0 BCAERO Cn1ccsc1=NC(=O)[C@H]1CCC[NH2+]C1 ZINC000255027142 642444479 /nfs/dbraw/zinc/44/44/79/642444479.db2.gz CESXFOBBXSYZQQ-QMMMGPOBSA-N 1 0 225.317 0.514 10 0 BCAERO Cn1ccsc1=NC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000255778548 642446790 /nfs/dbraw/zinc/44/67/90/642446790.db2.gz SZHBMSZDUWFNPO-HTQZYQBOSA-N 1 0 225.317 0.641 10 0 BCAERO CCCS(=O)(=O)CC[NH2+][C@@H](C)COC ZINC000233254864 642654412 /nfs/dbraw/zinc/65/44/12/642654412.db2.gz IGAHLTWATKIKLX-VIFPVBQESA-N 1 0 223.338 0.436 10 0 BCAERO C[NH+](C)[C@@H]1CCN(CN2CCSC2=S)C1 ZINC000170842834 642696625 /nfs/dbraw/zinc/69/66/25/642696625.db2.gz ZAVWKBVVNXSTFQ-SECBINFHSA-N 1 0 245.417 0.914 10 0 BCAERO O=C(NC[C@H]1CC[NH2+]C1)[C@@H]1CC1(Cl)Cl ZINC000306260542 642732656 /nfs/dbraw/zinc/73/26/56/642732656.db2.gz KHIWANLFMGMSCJ-BQBZGAKWSA-N 1 0 237.130 0.906 10 0 BCAERO O=C(NC[C@@H]1CC[NH2+]C1)[C@H]1CC1(Cl)Cl ZINC000306260544 642733617 /nfs/dbraw/zinc/73/36/17/642733617.db2.gz KHIWANLFMGMSCJ-RNFRBKRXSA-N 1 0 237.130 0.906 10 0 BCAERO CC(F)(F)C(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000306410061 642742908 /nfs/dbraw/zinc/74/29/08/642742908.db2.gz MPTCUIKMDQVHNM-RNFRBKRXSA-N 1 0 206.236 0.885 10 0 BCAERO [NH3+]C[C@H]1CCC[C@@H]1NS(=O)(=O)CCCF ZINC000237804405 642749472 /nfs/dbraw/zinc/74/94/72/642749472.db2.gz KEJQYINPDXFWQW-BDAKNGLRSA-N 1 0 238.328 0.393 10 0 BCAERO CC[NH2+][C@@](Cn1cccn1)(C(N)=O)C1CC1 ZINC000068943132 642811728 /nfs/dbraw/zinc/81/17/28/642811728.db2.gz HIQUZHWGBHOBNM-LLVKDONJSA-N 1 0 222.292 0.127 10 0 BCAERO CC[NH2+][C@@](Cn1ccnc1)(C(N)=O)C1CC1 ZINC000068943064 642811968 /nfs/dbraw/zinc/81/19/68/642811968.db2.gz SGIOASLBRUTWDD-LLVKDONJSA-N 1 0 222.292 0.127 10 0 BCAERO Cc1cc(C)n(C[C@]([NH3+])(C(N)=O)C2CC2)n1 ZINC000068943112 642812725 /nfs/dbraw/zinc/81/27/25/642812725.db2.gz UOYPQMIWDRQQGF-LLVKDONJSA-N 1 0 222.292 0.093 10 0 BCAERO CCOC(=O)[C@@H]1C[NH2+]C[C@@H]1c1ccccn1 ZINC000080601887 642847337 /nfs/dbraw/zinc/84/73/37/642847337.db2.gz UXWYDCAPQPYWIH-VHSXEESVSA-N 1 0 220.272 0.948 10 0 BCAERO CCOC(=O)[C@@H](N)CCc1ccncc1 ZINC000069553680 642877543 /nfs/dbraw/zinc/87/75/43/642877543.db2.gz JHIKUUJJSIPFSN-JTQLQIEISA-N 1 0 208.261 0.905 10 0 BCAERO CC(C)OC[C@@H](O)CN(C)[C@@H]1CC[NH2+]C1 ZINC000069661005 642892411 /nfs/dbraw/zinc/89/24/11/642892411.db2.gz SCPMHSUEJONFGH-MNOVXSKESA-N 1 0 216.325 0.066 10 0 BCAERO C[C@]([NH3+])(Cn1cc(C(F)(F)F)cn1)C(N)=O ZINC000070019369 642957712 /nfs/dbraw/zinc/95/77/12/642957712.db2.gz ZQINBYHGMMLDHS-ZETCQYMHSA-N 1 0 236.197 0.105 10 0 BCAERO C[C@@H]([NH3+])CC(=O)N[C@@H]1COc2ccccc21 ZINC000070069124 642966744 /nfs/dbraw/zinc/96/67/44/642966744.db2.gz IVTVIVUZQQDJIL-PSASIEDQSA-N 1 0 220.272 0.974 10 0 BCAERO c1nnc2c(NC[C@H]3CCC[NH2+]3)nccn12 ZINC000070616646 643050938 /nfs/dbraw/zinc/05/09/38/643050938.db2.gz JCQZYGOTNIHFLO-MRVPVSSYSA-N 1 0 218.264 0.288 10 0 BCAERO Cc1ccn(C[C@](C)([NH2+]C(C)C)C(N)=O)n1 ZINC000070686724 643059625 /nfs/dbraw/zinc/05/96/25/643059625.db2.gz BYCHOCCDSIFGQS-NSHDSACASA-N 1 0 224.308 0.434 10 0 BCAERO COC(=O)[C@](C)([NH3+])CCCn1nccc1C ZINC000070687091 643060419 /nfs/dbraw/zinc/06/04/19/643060419.db2.gz ZXNOBZRDVOAOFT-LLVKDONJSA-N 1 0 225.292 0.862 10 0 BCAERO Cc1ccnn1C[C@](C)([NH2+]C1CC1)C(N)=O ZINC000070687023 643060506 /nfs/dbraw/zinc/06/05/06/643060506.db2.gz UWGHGZFKLCZETB-NSHDSACASA-N 1 0 222.292 0.188 10 0 BCAERO CCC[NH2+][C@@H](Cn1ncc(Cl)c1C)C(N)=O ZINC000070704368 643063194 /nfs/dbraw/zinc/06/31/94/643063194.db2.gz GBNMRHCMRPQTKK-VIFPVBQESA-N 1 0 244.726 0.698 10 0 BCAERO CC[NH2+][C@H](CCn1ncc(Cl)c1C)C(N)=O ZINC000070704639 643064604 /nfs/dbraw/zinc/06/46/04/643064604.db2.gz ZMZLYVTUKHCNKQ-SECBINFHSA-N 1 0 244.726 0.698 10 0 BCAERO CCN(c1ncc(C)cn1)[C@@H]1CC[NH2+]C1 ZINC000070901116 643081015 /nfs/dbraw/zinc/08/10/15/643081015.db2.gz SHOHZLQDXUKFNH-SNVBAGLBSA-N 1 0 206.293 0.973 10 0 BCAERO CCN(c1nccc(OC)n1)[C@@H]1CC[NH2+]C1 ZINC000070901223 643081462 /nfs/dbraw/zinc/08/14/62/643081462.db2.gz DAAFXJMLNLBCQT-SECBINFHSA-N 1 0 222.292 0.673 10 0 BCAERO CCN(c1nccc(C)n1)[C@H]1CC[NH2+]C1 ZINC000070901150 643081704 /nfs/dbraw/zinc/08/17/04/643081704.db2.gz ZHLCFPGNTTZUCG-JTQLQIEISA-N 1 0 206.293 0.973 10 0 BCAERO CCN(c1nccc(C)n1)[C@@H]1CC[NH2+]C1 ZINC000070901146 643082061 /nfs/dbraw/zinc/08/20/61/643082061.db2.gz ZHLCFPGNTTZUCG-SNVBAGLBSA-N 1 0 206.293 0.973 10 0 BCAERO CCN1CCO[C@@H](C[NH2+]C[C@H]2CCCOC2)C1 ZINC000252637892 643082471 /nfs/dbraw/zinc/08/24/71/643082471.db2.gz IEUCTFUWXKCKTE-OLZOCXBDSA-N 1 0 242.363 0.723 10 0 BCAERO CCC[C@](C)([NH3+])C(=O)N[C@@H]1CCCOC1 ZINC000071023565 643095934 /nfs/dbraw/zinc/09/59/34/643095934.db2.gz ZQYNJLLSSZLQRF-KOLCDFICSA-N 1 0 214.309 0.799 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N(C)C[C@H]1CCCO1 ZINC000042465879 643129590 /nfs/dbraw/zinc/12/95/90/643129590.db2.gz SQLNGZIBPCXHLB-ZJUUUORDSA-N 1 0 214.309 0.751 10 0 BCAERO C[C@@H](NS(=O)(=O)CC1CC[NH2+]CC1)C1CC1 ZINC000049643370 643132682 /nfs/dbraw/zinc/13/26/82/643132682.db2.gz ISCGCPLEIZRFLE-SECBINFHSA-N 1 0 246.376 0.704 10 0 BCAERO C[C@H](C[C@@H]1COCCN1)[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000252954916 643146983 /nfs/dbraw/zinc/14/69/83/643146983.db2.gz IDYGZLLCOBWVJW-YVECIDJPSA-N 1 0 242.363 0.911 10 0 BCAERO C[C@H](O)[C@H](C)[NH2+][C@@H]1CCCNC(=O)C1 ZINC000306722068 643223000 /nfs/dbraw/zinc/22/30/00/643223000.db2.gz POWIBVLEKKYVSK-XHNCKOQMSA-N 1 0 200.282 0.014 10 0 BCAERO COc1ccnc(NCC[C@@H]2CC[NH2+]C2)n1 ZINC000082496723 643327015 /nfs/dbraw/zinc/32/70/15/643327015.db2.gz BQNYBIBWMLXGHT-VIFPVBQESA-N 1 0 222.292 0.897 10 0 BCAERO COC(C[NH2+][C@@H](C)[C@@H]1CCCO1)OC ZINC000082534431 643337351 /nfs/dbraw/zinc/33/73/51/643337351.db2.gz QMSUTAUMVCJIOO-IUCAKERBSA-N 1 0 203.282 0.762 10 0 BCAERO C[C@@H]([NH3+])CNS(=O)(=O)/C=C/c1ccccc1 ZINC000082574757 643347020 /nfs/dbraw/zinc/34/70/20/643347020.db2.gz RHZRSPJAZNQSSS-QROSGCPLSA-N 1 0 240.328 0.924 10 0 BCAERO C[C@H]([NH3+])CN(C)c1ccc(S(C)(=O)=O)cc1 ZINC000082592695 643350646 /nfs/dbraw/zinc/35/06/46/643350646.db2.gz KDNRVWVFNYAXDL-VIFPVBQESA-N 1 0 242.344 0.874 10 0 BCAERO CC1(C[NH2+][C@@H]2CS(=O)(=O)C[C@H]2O)CCCC1 ZINC000082625399 643356057 /nfs/dbraw/zinc/35/60/57/643356057.db2.gz QTHXWVMUPUIBJP-NXEZZACHSA-N 1 0 247.360 0.314 10 0 BCAERO CCN(C)C(=O)C[N@@H+]1CCC[C@H](C(C)=O)C1 ZINC000082644636 643358697 /nfs/dbraw/zinc/35/86/97/643358697.db2.gz GRNFNXFXUUHAJP-NSHDSACASA-N 1 0 226.320 0.766 10 0 BCAERO CCNC(=O)CC[N@@H+]1CCC[C@H](C(C)=O)C1 ZINC000082644515 643360051 /nfs/dbraw/zinc/36/00/51/643360051.db2.gz YUTUBPFPEZEFMI-NSHDSACASA-N 1 0 226.320 0.814 10 0 BCAERO [NH3+][C@@H](CO)Cc1cn(CC(F)(F)F)cn1 ZINC000757190672 643362812 /nfs/dbraw/zinc/36/28/12/643362812.db2.gz RSHKZQOXAOKCMT-ZCFIWIBFSA-N 1 0 223.198 0.308 10 0 BCAERO CC[NH2+][C@@](C)(C[C@@H](C)n1ccnc1)C(N)=O ZINC000082800139 643381922 /nfs/dbraw/zinc/38/19/22/643381922.db2.gz AHRRNGUOKZLSCR-KOLCDFICSA-N 1 0 224.308 0.688 10 0 BCAERO C[NH2+][C@@](C)(C[C@H](C)n1cc(Cl)cn1)C(N)=O ZINC000082800527 643382909 /nfs/dbraw/zinc/38/29/09/643382909.db2.gz OSUZIZCYBVGTBJ-XVKPBYJWSA-N 1 0 244.726 0.951 10 0 BCAERO Cc1nn([C@H](C)C[C@@](C)([NH3+])C(N)=O)cc1Cl ZINC000082800602 643382966 /nfs/dbraw/zinc/38/29/66/643382966.db2.gz BSNJHSNMJJPUMT-LHLIQPBNSA-N 1 0 244.726 0.999 10 0 BCAERO CC[NH2+]CCNc1ccnc(N(C)C)n1 ZINC000082924371 643388816 /nfs/dbraw/zinc/38/88/16/643388816.db2.gz NUHNADGZYPVVPQ-UHFFFAOYSA-N 1 0 209.297 0.564 10 0 BCAERO [NH3+]CCCC(=O)NC[C@@H]1CCCC[C@@H]1O ZINC000082994717 643394599 /nfs/dbraw/zinc/39/45/99/643394599.db2.gz LMPISJMVKPWTFH-UWVGGRQHSA-N 1 0 214.309 0.393 10 0 BCAERO [NH3+]CCCC(=O)NC[C@H]1CCCC[C@H]1O ZINC000082994723 643397119 /nfs/dbraw/zinc/39/71/19/643397119.db2.gz LMPISJMVKPWTFH-NXEZZACHSA-N 1 0 214.309 0.393 10 0 BCAERO O=C(CC1CC[NH2+]CC1)N[C@@H]1CCCOC1 ZINC000071023396 643411321 /nfs/dbraw/zinc/41/13/21/643411321.db2.gz OVRZXJYRISSYDG-LLVKDONJSA-N 1 0 226.320 0.671 10 0 BCAERO Cc1ccnc(N2C[C@H](C)[NH2+]C[C@@H]2C)n1 ZINC000083119127 643415978 /nfs/dbraw/zinc/41/59/78/643415978.db2.gz DWAZJTUSXXEPTM-UWVGGRQHSA-N 1 0 206.293 0.972 10 0 BCAERO C[NH2+][C@@](Cn1cc(Cl)cn1)(C(N)=O)C1CC1 ZINC000068943222 643433834 /nfs/dbraw/zinc/43/38/34/643433834.db2.gz KGRYQQVDTPPXQY-SNVBAGLBSA-N 1 0 242.710 0.390 10 0 BCAERO C[C@H]1CCCN(C(=O)[C@@H]2CCOC2)[C@H]1C[NH3+] ZINC000069726542 643450235 /nfs/dbraw/zinc/45/02/35/643450235.db2.gz MITCJSPMLMBQMZ-AXFHLTTASA-N 1 0 226.320 0.609 10 0 BCAERO Cc1nn(C[C@@H]([NH2+]C2CC2)C(N)=O)cc1Cl ZINC000070704285 643465908 /nfs/dbraw/zinc/46/59/08/643465908.db2.gz IEUHGPKPBILRGX-SECBINFHSA-N 1 0 242.710 0.451 10 0 BCAERO Cc1c(Cl)cnn1C[C@H]([NH2+]C(C)C)C(N)=O ZINC000070704518 643466266 /nfs/dbraw/zinc/46/62/66/643466266.db2.gz WKUAMLOPGDJPEV-VIFPVBQESA-N 1 0 244.726 0.697 10 0 BCAERO Cc1nn(C[C@H]([NH2+]C2CC2)C(N)=O)cc1Cl ZINC000070704284 643466469 /nfs/dbraw/zinc/46/64/69/643466469.db2.gz IEUHGPKPBILRGX-VIFPVBQESA-N 1 0 242.710 0.451 10 0 BCAERO COC(=O)/C(C)=C/C[NH2+][C@@H]1CCCC[C@H]1O ZINC000234526985 643523339 /nfs/dbraw/zinc/52/33/39/643523339.db2.gz HUPAHALOGGOMFN-JKWVPGAPSA-N 1 0 227.304 0.999 10 0 BCAERO CC[NH2+]CC(=O)Nc1ccc(N(C)C)nc1 ZINC000044648258 643545240 /nfs/dbraw/zinc/54/52/40/643545240.db2.gz GYPFKCPYELTCMK-UHFFFAOYSA-N 1 0 222.292 0.696 10 0 BCAERO C[NH2+]C[C@@H]1CCN(c2nc(C)ns2)C1 ZINC000083649099 643602339 /nfs/dbraw/zinc/60/23/39/643602339.db2.gz KAQORCNTSVQTMM-QMMMGPOBSA-N 1 0 212.322 0.892 10 0 BCAERO CN(C)[C@@H]1CC[N@H+](CCC2OCCCO2)C1 ZINC000085705675 643622048 /nfs/dbraw/zinc/62/20/48/643622048.db2.gz ZSNSZZLESFTUQY-LLVKDONJSA-N 1 0 228.336 0.775 10 0 BCAERO [NH3+]CCCCCC(=O)NC[C@H]1CCC[C@@H]1O ZINC000084238824 643652656 /nfs/dbraw/zinc/65/26/56/643652656.db2.gz GECOHLBMYWKLAM-MNOVXSKESA-N 1 0 228.336 0.783 10 0 BCAERO C[C@@]1(C(=O)NC[C@H]2CCC[C@@H]2O)CCC[NH2+]1 ZINC000084238441 643652957 /nfs/dbraw/zinc/65/29/57/643652957.db2.gz QGAOLHJNBWHZHD-SCVCMEIPSA-N 1 0 226.320 0.406 10 0 BCAERO [NH3+]CCCCCC(=O)NC[C@@H]1CCC[C@H]1O ZINC000084238822 643653496 /nfs/dbraw/zinc/65/34/96/643653496.db2.gz GECOHLBMYWKLAM-WDEREUQCSA-N 1 0 228.336 0.783 10 0 BCAERO [NH3+]C[C@@H]1CCCC[C@@H]1C(=O)N1CCOCC1 ZINC000084301072 643657644 /nfs/dbraw/zinc/65/76/44/643657644.db2.gz NILHGKZANLTWFY-QWRGUYRKSA-N 1 0 226.320 0.610 10 0 BCAERO C[C@@H]1COCCN1C(=O)C[C@H]1CC[NH2+]C1 ZINC000084382027 643659346 /nfs/dbraw/zinc/65/93/46/643659346.db2.gz OICBRSDLQIBMHC-NXEZZACHSA-N 1 0 212.293 0.233 10 0 BCAERO Cn1cc(CNC(=O)[C@H]2CC[C@@H]([NH3+])C2)cn1 ZINC000085012015 643678729 /nfs/dbraw/zinc/67/87/29/643678729.db2.gz SAONZVQHNSLKHM-VHSXEESVSA-N 1 0 222.292 0.164 10 0 BCAERO CCOc1cc(N(C)C[C@@H](C)[NH3+])ncn1 ZINC000085483183 643754935 /nfs/dbraw/zinc/75/49/35/643754935.db2.gz UQFKOHAKXWQWFM-MRVPVSSYSA-N 1 0 210.281 0.659 10 0 BCAERO COCC[NH2+]CC(=O)N[C@@H](C)C1CCCC1 ZINC000086158333 643934123 /nfs/dbraw/zinc/93/41/23/643934123.db2.gz NIACIPLZSYBDCM-JTQLQIEISA-N 1 0 228.336 0.917 10 0 BCAERO COCC[NH2+]CC(=O)N[C@H](C)C1CCCC1 ZINC000086158334 643934154 /nfs/dbraw/zinc/93/41/54/643934154.db2.gz NIACIPLZSYBDCM-SNVBAGLBSA-N 1 0 228.336 0.917 10 0 BCAERO NC(=O)[C@@]1([NH3+])CCC[C@H]1CCn1ccnc1 ZINC000086547933 644147598 /nfs/dbraw/zinc/14/75/98/644147598.db2.gz DAUUCBGDDDJHMM-GXSJLCMTSA-N 1 0 222.292 0.256 10 0 BCAERO CC[NH2+][C@]1(C(N)=O)CC[C@@H](n2ccnc2)C1 ZINC000086626566 644156400 /nfs/dbraw/zinc/15/64/00/644156400.db2.gz YRAYZJDGHIFMQB-MWLCHTKSSA-N 1 0 222.292 0.442 10 0 BCAERO NC(=O)[C@]1([NH3+])CCC[C@H](n2cc(Cl)cn2)C1 ZINC000086604712 644156770 /nfs/dbraw/zinc/15/67/70/644156770.db2.gz VGFIFXJEQPDHSS-WPRPVWTQSA-N 1 0 242.710 0.834 10 0 BCAERO [NH3+][C@H]1CCCN(C(=O)CC[C@@H]2CCCO2)C1 ZINC000082263374 644363884 /nfs/dbraw/zinc/36/38/84/644363884.db2.gz CAECYGJQYCUCFS-QWRGUYRKSA-N 1 0 226.320 0.895 10 0 BCAERO CC(C)[C@@H]([NH3+])C(=O)NC[C@H]1CCCC[C@H]1O ZINC000083891345 644411605 /nfs/dbraw/zinc/41/16/05/644411605.db2.gz ZKNKRTSVGSPHKM-GMTAPVOTSA-N 1 0 228.336 0.637 10 0 BCAERO COCCCNC(=O)[C@H]1CCCC[C@H]1C[NH3+] ZINC000084301587 644423415 /nfs/dbraw/zinc/42/34/15/644423415.db2.gz ADDTWBQSPYWECR-QWRGUYRKSA-N 1 0 228.336 0.904 10 0 BCAERO COCCCNC(=O)[C@@H]1CCCC[C@H]1C[NH3+] ZINC000084301584 644423933 /nfs/dbraw/zinc/42/39/33/644423933.db2.gz ADDTWBQSPYWECR-WDEREUQCSA-N 1 0 228.336 0.904 10 0 BCAERO C[C@@](CCn1ccnc1)([NH2+]C1CC1)C(N)=O ZINC000084507774 644426721 /nfs/dbraw/zinc/42/67/21/644426721.db2.gz KMCARJRMKQZKAX-NSHDSACASA-N 1 0 222.292 0.269 10 0 BCAERO CCN(c1ccnc(N(C)C)n1)[C@H]1CC[NH2+]C1 ZINC000085432152 644440891 /nfs/dbraw/zinc/44/08/91/644440891.db2.gz TVBHDPBDEVOETC-JTQLQIEISA-N 1 0 235.335 0.731 10 0 BCAERO C[C@@H](NC(=O)C[C@@H]1C[NH2+]CCO1)C1CC1 ZINC000085619284 644443773 /nfs/dbraw/zinc/44/37/73/644443773.db2.gz AATDRCTVITXXHO-PSASIEDQSA-N 1 0 212.293 0.280 10 0 BCAERO C[NH2+]C[C@H](C)C(=O)NC[C@H]1CCCC[C@@H]1O ZINC000086069932 644458753 /nfs/dbraw/zinc/45/87/53/644458753.db2.gz YZDJPZPKHUABHB-AXFHLTTASA-N 1 0 228.336 0.509 10 0 BCAERO CS(=O)(=O)[C@@H]1CCC[C@@H](OC2C[NH2+]C2)C1 ZINC000087118644 644478189 /nfs/dbraw/zinc/47/81/89/644478189.db2.gz TYSVMLINEHSMBB-PSASIEDQSA-N 1 0 233.333 0.331 10 0 BCAERO CCCCNC(=O)N[C@H]1CC[NH2+]C[C@@H]1F ZINC000685946177 644517935 /nfs/dbraw/zinc/51/79/35/644517935.db2.gz LMOXISUNMGDGEF-IUCAKERBSA-N 1 0 217.288 0.786 10 0 BCAERO CC(C)S(=O)(=O)N1CC[C@@H]([NH3+])[C@H](F)C1 ZINC000685946161 644518038 /nfs/dbraw/zinc/51/80/38/644518038.db2.gz LMCIAVMULBAXSR-HTQZYQBOSA-N 1 0 224.301 0.096 10 0 BCAERO CCCCNC(=O)N[C@@H]1CC[NH2+]C[C@@H]1F ZINC000685946176 644518146 /nfs/dbraw/zinc/51/81/46/644518146.db2.gz LMOXISUNMGDGEF-DTWKUNHWSA-N 1 0 217.288 0.786 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)[C@H]1CCCCO1 ZINC000245397815 644521462 /nfs/dbraw/zinc/52/14/62/644521462.db2.gz QMRGMCLSFBRNMI-GARJFASQSA-N 1 0 226.320 0.799 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)c1ccc[nH]c1=O ZINC000089091289 644533882 /nfs/dbraw/zinc/53/38/82/644533882.db2.gz AGDBROJNPFUFFF-WCBMZHEXSA-N 1 0 235.287 0.232 10 0 BCAERO [NH3+][C@@H]1CCC[C@H](C(=O)NC[C@@H]2CCC[C@@H]2O)C1 ZINC000089170025 644537317 /nfs/dbraw/zinc/53/73/17/644537317.db2.gz SRYYGLUAFLGDLB-YFKTTZPYSA-N 1 0 240.347 0.781 10 0 BCAERO [NH3+][C@@H]1CC[C@H](C(=O)NC[C@@H]2CCCC[C@H]2O)C1 ZINC000246183347 644569622 /nfs/dbraw/zinc/56/96/22/644569622.db2.gz NNYDJGHWKHKYKG-NNYUYHANSA-N 1 0 240.347 0.781 10 0 BCAERO CCC(=O)CCN1CC[N@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000249126774 644715011 /nfs/dbraw/zinc/71/50/11/644715011.db2.gz XLMYLCJNEWMUGZ-RYUDHWBXSA-N 1 0 242.363 0.743 10 0 BCAERO CCN1CCN(C(=O)[C@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000094646926 644723277 /nfs/dbraw/zinc/72/32/77/644723277.db2.gz YVEACNMOXWLFBK-NEPJUHHUSA-N 1 0 239.363 0.539 10 0 BCAERO COC(=O)[C@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1C ZINC000094996954 644734543 /nfs/dbraw/zinc/73/45/43/644734543.db2.gz CRZVGOARPZPLBN-SCZZXKLOSA-N 1 0 240.303 0.006 10 0 BCAERO CN(C)C(=O)c1ccc(N2CCC[C@@H]2C[NH3+])nc1 ZINC000095014937 644736613 /nfs/dbraw/zinc/73/66/13/644736613.db2.gz VMUCQAHGYFVZCZ-LLVKDONJSA-N 1 0 248.330 0.711 10 0 BCAERO C[NH2+]C[C@@H]1CCCCN1c1ccc(C(N)=O)nn1 ZINC000095013054 644736791 /nfs/dbraw/zinc/73/67/91/644736791.db2.gz UMCFRIQWSUCVEJ-VIFPVBQESA-N 1 0 249.318 0.154 10 0 BCAERO COC(=O)[C@H]1C[N@H+](Cc2ccno2)C[C@H]1C ZINC000094996633 644737756 /nfs/dbraw/zinc/73/77/56/644737756.db2.gz JTWHFWDSQKNGTD-SCZZXKLOSA-N 1 0 224.260 0.916 10 0 BCAERO COC(=O)[C@H]1C[N@H+](CC(C)(C)O)C[C@H]1C ZINC000094997055 644737984 /nfs/dbraw/zinc/73/79/84/644737984.db2.gz UPOCQPTVDARQHX-BDAKNGLRSA-N 1 0 215.293 0.498 10 0 BCAERO COC(=O)/C(C)=C\CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000250512096 644761342 /nfs/dbraw/zinc/76/13/42/644761342.db2.gz CKLOIEYRMLHSBN-QJGQKNTRSA-N 1 0 238.331 0.886 10 0 BCAERO CC[C@H](O)C[N@@H+]1C[C@H](C)[C@@H](C(=O)OC)C1 ZINC000251108465 644793244 /nfs/dbraw/zinc/79/32/44/644793244.db2.gz SUPQMDSUUQLOHK-GUBZILKMSA-N 1 0 215.293 0.498 10 0 BCAERO C[C@H](C[NH2+][C@@H]1CS(=O)(=O)C[C@H]1O)C(C)(C)C ZINC000251112429 644793422 /nfs/dbraw/zinc/79/34/22/644793422.db2.gz PIKDZBICXRTFJZ-OPRDCNLKSA-N 1 0 249.376 0.416 10 0 BCAERO C[C@H](O)CCNC(=O)[C@@H]1CCCC[C@H]1C[NH3+] ZINC000251265536 644798100 /nfs/dbraw/zinc/79/81/00/644798100.db2.gz WOFIGRHGXQCZBW-GARJFASQSA-N 1 0 228.336 0.639 10 0 BCAERO CC[C@H]1CN(CCC(C)=O)CC[N@@H+]1C[C@H](C)O ZINC000252352898 644847409 /nfs/dbraw/zinc/84/74/09/644847409.db2.gz OGEMJOCZPIUCHO-STQMWFEESA-N 1 0 242.363 0.743 10 0 BCAERO CC(C)(O)C[NH2+]C[C@@H]1CN2CCC[C@H]2CO1 ZINC000252544553 644865362 /nfs/dbraw/zinc/86/53/62/644865362.db2.gz IICFAUMZYBDPBP-WDEREUQCSA-N 1 0 228.336 0.210 10 0 BCAERO C[C@@H]1OCC[C@@H]1NC(=O)C[C@H]1CSCC[NH2+]1 ZINC000252737117 644895186 /nfs/dbraw/zinc/89/51/86/644895186.db2.gz BBPFFSCTNVUAOU-GUBZILKMSA-N 1 0 244.360 0.375 10 0 BCAERO [NH3+][C@@H](CC1CC1)C(=O)NC[C@@H](O)C(F)(F)F ZINC000304389146 644899805 /nfs/dbraw/zinc/89/98/05/644899805.db2.gz SKTJARNRONLYKA-NKWVEPMBSA-N 1 0 240.225 0.153 10 0 BCAERO C[C@@H]1OCC[C@H]1NC(=O)[C@@H]1C[C@H](C)CC[NH2+]1 ZINC000253150229 644940132 /nfs/dbraw/zinc/94/01/32/644940132.db2.gz DYLCARAYMCQGKJ-YTWAJWBKSA-N 1 0 226.320 0.668 10 0 BCAERO CC(C)OC[C@@H](O)CN(C)[C@H](C[NH3+])C1CC1 ZINC000253169661 644941674 /nfs/dbraw/zinc/94/16/74/644941674.db2.gz DJCHWINMGNDUGA-NWDGAFQWSA-N 1 0 230.352 0.441 10 0 BCAERO C[C@@H]1CCN(c2nccn3cnnc23)C[C@H]1C[NH3+] ZINC000253194288 644944031 /nfs/dbraw/zinc/94/40/31/644944031.db2.gz PTJZREKLTRBJGT-NXEZZACHSA-N 1 0 246.318 0.545 10 0 BCAERO C[C@@H](C(N)=O)[N@H+](C)[C@@H]1CCO[C@H](C)C1 ZINC000721492479 711561852 /nfs/dbraw/zinc/56/18/52/711561852.db2.gz IXMIAFWNVHRZGA-HRDYMLBCSA-N 1 0 200.282 0.360 10 0 BCAERO C[C@@H](C[NH3+])c1noc([C@H](C)n2cccn2)n1 ZINC000721363553 711613927 /nfs/dbraw/zinc/61/39/27/711613927.db2.gz HEANZBMVNVZWES-YUMQZZPRSA-N 1 0 221.264 0.938 10 0 BCAERO CN(C)c1cc(N[C@H]2CCC[NH2+]C2)ncn1 ZINC000258719702 711741597 /nfs/dbraw/zinc/74/15/97/711741597.db2.gz UCJCIWLUJSMWHL-VIFPVBQESA-N 1 0 221.308 0.707 10 0 BCAERO CCN1CCC[C@H](NC2CC[NH2+]CC2)C1=O ZINC000722361007 711748947 /nfs/dbraw/zinc/74/89/47/711748947.db2.gz DXVCGGOSXZWRTO-NSHDSACASA-N 1 0 225.336 0.339 10 0 BCAERO Cc1nsc(N2CCO[C@H]([C@@H](C)[NH3+])C2)n1 ZINC000169220985 711832502 /nfs/dbraw/zinc/83/25/02/711832502.db2.gz TUXQYNURPCFBLE-SVRRBLITSA-N 1 0 228.321 0.399 10 0 BCAERO C[C@@H]1CCC[N@H+](C[C@@H]2CNC(=O)O2)[C@@H]1CCO ZINC000700389479 711991102 /nfs/dbraw/zinc/99/11/02/711991102.db2.gz WZXCKNPMCHKVFC-OUAUKWLOSA-N 1 0 242.319 0.578 10 0 BCAERO CC1(C)CC[C@@H]([NH2+][C@@H]2CS(=O)(=O)C[C@H]2O)C1 ZINC000700601316 712000431 /nfs/dbraw/zinc/00/04/31/712000431.db2.gz AJILEGMWLMDXHG-OPRDCNLKSA-N 1 0 247.360 0.313 10 0 BCAERO [NH3+]C[C@@]1(CO)COCCN1C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000704928256 712120229 /nfs/dbraw/zinc/12/02/29/712120229.db2.gz UWHKYOQONDEPAW-YVECIDJPSA-N 1 0 240.347 0.055 10 0 BCAERO CCC(O)(CC)C[N@H+](C)C[C@H]1CNC(=O)O1 ZINC000706418126 712146102 /nfs/dbraw/zinc/14/61/02/712146102.db2.gz DBEUARVVGZPBTR-SECBINFHSA-N 1 0 230.308 0.578 10 0 BCAERO CCN(CC(=O)OC)C(=O)C[C@H]([NH3+])C(C)C ZINC000707303207 712169037 /nfs/dbraw/zinc/16/90/37/712169037.db2.gz XCEYPCXBPJHMMA-VIFPVBQESA-N 1 0 230.308 0.381 10 0 BCAERO Cc1ccnc(N2C[C@@H](C)[C@@H](C[NH3+])C2)n1 ZINC000708874467 712201872 /nfs/dbraw/zinc/20/18/72/712201872.db2.gz JHRHAFCPNNPNHX-SCZZXKLOSA-N 1 0 206.293 0.816 10 0 BCAERO CO[C@H]1CN(Cc2cc[nH]n2)[C@](C)(C[NH3+])C1 ZINC000708971757 712204128 /nfs/dbraw/zinc/20/41/28/712204128.db2.gz KJCQNGMQSYUIOG-MNOVXSKESA-N 1 0 224.308 0.348 10 0 BCAERO CCC[C@@H]1CN(C(=O)C2CC([NH3+])C2)CCO1 ZINC000708952216 712204412 /nfs/dbraw/zinc/20/44/12/712204412.db2.gz KSJYABHSCROTGK-VQXHTEKXSA-N 1 0 226.320 0.751 10 0 BCAERO C[C@@H]1CN(c2cc[nH+]c(CO)c2)C[C@H]1CO ZINC000709325030 712219821 /nfs/dbraw/zinc/21/98/21/712219821.db2.gz IWVRKXGXDJVVNK-ZJUUUORDSA-N 1 0 222.288 0.639 10 0 BCAERO C[C@H]([NH2+]C[C@H]1CN(C)CCO1)c1cn(C)cn1 ZINC000709894871 712231238 /nfs/dbraw/zinc/23/12/38/712231238.db2.gz BDTNGPNHFBKULG-QWRGUYRKSA-N 1 0 238.335 0.401 10 0 BCAERO [NH3+][C@H]1CC[C@H](C(=O)N[C@@H]2CCC[C@H](O)C2)CC1 ZINC000710879407 712260704 /nfs/dbraw/zinc/26/07/04/712260704.db2.gz RLNHAKBVNSDQDO-KKOKHZNYSA-N 1 0 240.347 0.924 10 0 BCAERO COC1(OC)CC[C@H]1[NH2+]C1CC(CO)C1 ZINC000710956729 712267905 /nfs/dbraw/zinc/26/79/05/712267905.db2.gz CPKSILUGKPCLCV-UDNWOFFPSA-N 1 0 215.293 0.498 10 0 BCAERO COC1(OC)CC[C@@H]1[NH2+][C@@H]1CCO[C@@H]1C ZINC000710957110 712267921 /nfs/dbraw/zinc/26/79/21/712267921.db2.gz HLDHSTPKYXPEOO-BBBLOLIVSA-N 1 0 215.293 0.905 10 0 BCAERO COC1(OC)CC[C@@H]1[NH2+][C@H]1CCO[C@H]1C ZINC000710957111 712267963 /nfs/dbraw/zinc/26/79/63/712267963.db2.gz HLDHSTPKYXPEOO-GUBZILKMSA-N 1 0 215.293 0.905 10 0 BCAERO CC1(CNC(=O)[C@@H]2C[NH2+]CC2(C)C)COC1 ZINC000711216554 712289506 /nfs/dbraw/zinc/28/95/06/712289506.db2.gz SVTABDRJFFKQMC-VIFPVBQESA-N 1 0 226.320 0.385 10 0 BCAERO CO[C@@H]1CN(CCOC2CC2)[C@](C)(C[NH3+])C1 ZINC000711776068 712327837 /nfs/dbraw/zinc/32/78/37/712327837.db2.gz DWVQFGCQMAYFFC-RYUDHWBXSA-N 1 0 228.336 0.604 10 0 BCAERO CSC[C@@H](C)C(=O)N1C[C@@H](F)C[C@H]1C[NH3+] ZINC000378666002 712356508 /nfs/dbraw/zinc/35/65/08/712356508.db2.gz GGBAPEKAKIDYHV-VGMNWLOBSA-N 1 0 234.340 0.883 10 0 BCAERO C[C@@H]([NH2+]CCn1cncn1)[C@@H]1CCCCO1 ZINC000379250969 712371701 /nfs/dbraw/zinc/37/17/01/712371701.db2.gz FIUBYXVYCKMWTC-MNOVXSKESA-N 1 0 224.308 0.825 10 0 BCAERO CC(C)OC[C@@H](O)CN1CC[NH2+]CCC1(C)C ZINC000712565358 712446283 /nfs/dbraw/zinc/44/62/83/712446283.db2.gz XKVIRGUVFAZDMV-LBPRGKRZSA-N 1 0 244.379 0.846 10 0 BCAERO C=C/C=C/CC[N@H+]1CCC[C@](O)(C(N)=O)C1 ZINC000713638690 712467603 /nfs/dbraw/zinc/46/76/03/712467603.db2.gz AUXLEYHJFBFWKH-AAOUONPWSA-N 1 0 224.304 0.431 10 0 BCAERO CCCCCNC(=O)[C@@H]1CO[C@@H](C[NH3+])C1 ZINC000713873313 712473325 /nfs/dbraw/zinc/47/33/25/712473325.db2.gz QEKATNZSNZPJDL-VHSXEESVSA-N 1 0 214.309 0.657 10 0 BCAERO COCC1CC(NC(=O)[C@H]2C[C@@H](C)CC[NH2+]2)C1 ZINC000713945878 712474058 /nfs/dbraw/zinc/47/40/58/712474058.db2.gz OCZGLOJEJSWANW-WNYYMSAVSA-N 1 0 240.347 0.916 10 0 BCAERO COCC1CC(NC(=O)[C@@]2(C)CCC[NH2+]C2)C1 ZINC000713943757 712474060 /nfs/dbraw/zinc/47/40/60/712474060.db2.gz BRQLWSUOFSESIE-XIVSLSHWSA-N 1 0 240.347 0.917 10 0 BCAERO COCC1CC(NC(=O)[C@@H]([NH3+])CC(C)C)C1 ZINC000713942173 712474243 /nfs/dbraw/zinc/47/42/43/712474243.db2.gz CKWZKDOCQKNTKI-ILDUYXDCSA-N 1 0 228.336 0.901 10 0 BCAERO COCC1CC(NC(=O)[C@H]2CCCC[NH2+]2)C1 ZINC000713934610 712473564 /nfs/dbraw/zinc/47/35/64/712473564.db2.gz GCCCEUAFDDAPLJ-VQXHTEKXSA-N 1 0 226.320 0.670 10 0 BCAERO COCC1CC(NC(=O)[C@H]2CCC[NH2+][C@H]2C)C1 ZINC000713976988 712475732 /nfs/dbraw/zinc/47/57/32/712475732.db2.gz IUWHZLVWRZDPNJ-XKGSQUFQSA-N 1 0 240.347 0.916 10 0 BCAERO CCn1cc(CN2C[C@@H](C)[C@@H]([NH3+])C2)nn1 ZINC000714422630 712486305 /nfs/dbraw/zinc/48/63/05/712486305.db2.gz YCTTZNRLOVWNIN-SCZZXKLOSA-N 1 0 209.297 0.077 10 0 BCAERO [NH3+][C@@H](CO)C(=O)NCc1cccc(Cl)c1 ZINC000714523995 712494175 /nfs/dbraw/zinc/49/41/75/712494175.db2.gz WOZVRVLIVFIZBC-VIFPVBQESA-N 1 0 228.679 0.276 10 0 BCAERO C[C@H]([NH2+]C[C@H](O)C(C)(C)C)c1cn(C)nn1 ZINC000715843416 712532924 /nfs/dbraw/zinc/53/29/24/712532924.db2.gz OEWWNMDNSPIJQS-WPRPVWTQSA-N 1 0 226.324 0.873 10 0 BCAERO C[C@H]([NH2+][C@@H]1CO[C@@H](C)[C@@H]1C)c1cn(C)nn1 ZINC000715836056 712534482 /nfs/dbraw/zinc/53/44/82/712534482.db2.gz ISOUMWDMBNBULT-FTYOSLGDSA-N 1 0 224.308 0.889 10 0 BCAERO CC(C)(C)[C@H](O)C[NH2+]C1CC(C(N)=O)C1 ZINC000716708230 712570318 /nfs/dbraw/zinc/57/03/18/712570318.db2.gz YTHDGYKLCMQOIE-AMDVSUOASA-N 1 0 214.309 0.247 10 0 BCAERO C[C@@H]1C[C@H]([NH2+]C2CC(C(N)=O)C2)CN1C1CC1 ZINC000716686702 712570400 /nfs/dbraw/zinc/57/04/00/712570400.db2.gz ZKZTXFYIMIXBMM-SFXRXQKFSA-N 1 0 237.347 0.465 10 0 BCAERO C[C@@H]1OC[C@H]([NH2+]C2CC(C(N)=O)C2)[C@@H]1C ZINC000716707949 712570512 /nfs/dbraw/zinc/57/05/12/712570512.db2.gz XBFFMJQZWIJDSJ-ACLMFKJJSA-N 1 0 212.293 0.263 10 0 BCAERO COCC1(C[NH2+]C2CC(C(N)=O)C2)CCC1 ZINC000716723241 712571341 /nfs/dbraw/zinc/57/13/41/712571341.db2.gz NJZKGTRHHPHEQS-UHFFFAOYSA-N 1 0 226.320 0.657 10 0 BCAERO Cc1cc(C[NH2+]C2CC(C(N)=O)C2)nn1C ZINC000716754622 712572463 /nfs/dbraw/zinc/57/24/63/712572463.db2.gz ILHNZNCMIGSGJP-UHFFFAOYSA-N 1 0 222.292 0.082 10 0 BCAERO CCCCOC[C@@H](O)C[NH2+]C1CC(C(N)=O)C1 ZINC000716768918 712572863 /nfs/dbraw/zinc/57/28/63/712572863.db2.gz HWGMSQNYJOWGKB-ILDUYXDCSA-N 1 0 244.335 0.018 10 0 BCAERO Cc1csc(C[NH2+]C2CC(C(N)=O)C2)n1 ZINC000716746703 712572080 /nfs/dbraw/zinc/57/20/80/712572080.db2.gz SWUCDBVLLOCTRT-UHFFFAOYSA-N 1 0 225.317 0.805 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)COC1CC1 ZINC000717662348 712663634 /nfs/dbraw/zinc/66/36/34/712663634.db2.gz AIBHVOOIDRLUGD-WCBMZHEXSA-N 1 0 212.293 0.409 10 0 BCAERO Cc1cc(CN2C[C@H](C)[C@H]([NH3+])C2)c(C)nn1 ZINC000720578836 712853836 /nfs/dbraw/zinc/85/38/36/712853836.db2.gz PIZWWKLSWVTXDZ-QPUJVOFHSA-N 1 0 220.320 0.872 10 0 BCAERO CC(C)(C[NH3+])CC(=O)N[C@H]1CCC[C@H](O)C1 ZINC000721213961 712899005 /nfs/dbraw/zinc/89/90/05/712899005.db2.gz IYVSLQSZVDDKMW-UWVGGRQHSA-N 1 0 228.336 0.781 10 0 BCAERO COc1cc(N[C@@H]2C[NH2+]C[C@H]2C)ncn1 ZINC000721895829 710690185 /nfs/dbraw/zinc/69/01/85/710690185.db2.gz HOTPPSRNWNEQGP-HTQZYQBOSA-N 1 0 208.265 0.505 10 0 BCAERO C[C@@H](NC(=O)C[C@@H]1C[NH2+]C[C@H]1C)[C@H]1CCCO1 ZINC000722519287 710713406 /nfs/dbraw/zinc/71/34/06/710713406.db2.gz FBXYZAWGGIDPAX-DDHJBXDOSA-N 1 0 240.347 0.916 10 0 BCAERO Cc1cc(C[NH2+]C[C@H]2CC(=O)N(C)C2)n(C)n1 ZINC000722742522 710720094 /nfs/dbraw/zinc/72/00/94/710720094.db2.gz RLWHBBZHUBMJFW-SNVBAGLBSA-N 1 0 236.319 0.296 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1CNc1ncnc2nc[nH]c21 ZINC000723787472 710731544 /nfs/dbraw/zinc/73/15/44/710731544.db2.gz YJZBDWRARIXJRK-SFYZADRCSA-N 1 0 232.291 0.572 10 0 BCAERO Cc1cn(C)nc1CN1C[C@H](C)[C@H]([NH3+])C1 ZINC000723955448 710731680 /nfs/dbraw/zinc/73/16/80/710731680.db2.gz SGADPZKMDNMAHV-WCBMZHEXSA-N 1 0 208.309 0.508 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1CNc1ncnc2c1cnn2C ZINC000723801796 710733492 /nfs/dbraw/zinc/73/34/92/710733492.db2.gz OOAGOTOKWAOOIO-BDAKNGLRSA-N 1 0 246.318 0.631 10 0 BCAERO CN1C[C@H](C[NH2+]C[C@@H]2CCCOC2)CC1=O ZINC000722745949 711470015 /nfs/dbraw/zinc/47/00/15/711470015.db2.gz HPNMWSHAYNOGGY-QWRGUYRKSA-N 1 0 226.320 0.481 10 0 BCAERO [NH3+][C@H]1CCCN(C(=O)[C@H]2[C@@H]3CCC[C@@H]32)C1 ZINC000247107164 711471374 /nfs/dbraw/zinc/47/13/74/711471374.db2.gz KZFUNGVPDXBZBY-UKKRHICBSA-N 1 0 208.305 0.982 10 0 BCAERO C[C@H](NC(=O)[C@H]1[C@@H]2CC[NH2+]C[C@@H]21)[C@@H]1CCCO1 ZINC000721023571 711487264 /nfs/dbraw/zinc/48/72/64/711487264.db2.gz CEWJZJWFQZIYPK-OSUNSFLBSA-N 1 0 238.331 0.526 10 0 BCAERO CC[C@@H]1C[C@H]1CN1CCOC[C@]1(C[NH3+])CO ZINC000723112245 711504481 /nfs/dbraw/zinc/50/44/81/711504481.db2.gz HZMWKHKENZFBHW-WOPDTQHZSA-N 1 0 228.336 0.055 10 0 BCAERO [NH3+][C@H]1CCCN(C(=O)c2cccn3nccc23)C1 ZINC000723491416 711513192 /nfs/dbraw/zinc/51/31/92/711513192.db2.gz KMJLTEZDBBEWPU-JTQLQIEISA-N 1 0 244.298 0.898 10 0 BCAERO CN1C[C@@H](C[NH2+]C[C@H]2COC(C)(C)O2)CC1=O ZINC000723581980 711520976 /nfs/dbraw/zinc/52/09/76/711520976.db2.gz MOGRQGOYGWAEFS-ZJUUUORDSA-N 1 0 242.319 0.206 10 0 BCAERO Cc1nc(C)c(CN2CCO[C@@H]3C[NH2+]C[C@@H]32)o1 ZINC000723647667 711530372 /nfs/dbraw/zinc/53/03/72/711530372.db2.gz XQHGYZANUNHIRL-WDEREUQCSA-N 1 0 237.303 0.464 10 0 BCAERO CCn1ccnc(NC[C@@H]2C[NH2+]C[C@H]2C)c1=O ZINC000723789824 711537468 /nfs/dbraw/zinc/53/74/68/711537468.db2.gz RVGDSBZDUUGBSI-ZJUUUORDSA-N 1 0 236.319 0.531 10 0 BCAERO C[C@@H]1CN(c2nccn3cnnc23)C[C@H]1CC[NH3+] ZINC000723916141 711544751 /nfs/dbraw/zinc/54/47/51/711544751.db2.gz QZUMIZSVWRYXAK-NXEZZACHSA-N 1 0 246.318 0.545 10 0 BCAERO COC[C@H](C)[NH2+]C[C@@H]1C[C@H]2COC[C@@H]2O1 ZINC000724656147 711606399 /nfs/dbraw/zinc/60/63/99/711606399.db2.gz BKZIWCHFBNUDKV-NAKRPEOUSA-N 1 0 215.293 0.415 10 0 BCAERO CC(C)(O)C[NH2+]CCO[C@@H]1CCOC1 ZINC000724937079 711631028 /nfs/dbraw/zinc/63/10/28/711631028.db2.gz NNXBNKSELAXEQK-SECBINFHSA-N 1 0 203.282 0.152 10 0 BCAERO Cn1ncc(C[NH2+][C@@H]2CCCC[C@@H]2CO)n1 ZINC000309302436 711696723 /nfs/dbraw/zinc/69/67/23/711696723.db2.gz YULBCIIOIGLXMD-MWLCHTKSSA-N 1 0 224.308 0.456 10 0 BCAERO CCCC(=O)NCC(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000236714564 711718482 /nfs/dbraw/zinc/71/84/82/711718482.db2.gz BKCFZJBDEQULLP-VHSXEESVSA-N 1 0 241.335 0.146 10 0 BCAERO CN(C)c1cc(N[C@@H]2CCC[NH2+]C2)ncn1 ZINC000258719701 711741704 /nfs/dbraw/zinc/74/17/04/711741704.db2.gz UCJCIWLUJSMWHL-SECBINFHSA-N 1 0 221.308 0.707 10 0 BCAERO CC(C)(O)[C@H]1CC[N@H+](C[C@H]2CNC(=O)O2)C1 ZINC000721797526 711769855 /nfs/dbraw/zinc/76/98/55/711769855.db2.gz FQTFXMLOPPYXHT-DTWKUNHWSA-N 1 0 228.292 0.188 10 0 BCAERO CC1(C)C[NH2+]C[C@H]1Nc1nccn2cnnc12 ZINC000721865464 711792153 /nfs/dbraw/zinc/79/21/53/711792153.db2.gz KOJWACLHINCHJG-MRVPVSSYSA-N 1 0 232.291 0.534 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)NC[C@@H](O)C(F)(F)F ZINC000225810112 711829618 /nfs/dbraw/zinc/82/96/18/711829618.db2.gz BFEPAGXRUDGSNF-RNFRBKRXSA-N 1 0 242.241 0.399 10 0 BCAERO COCC[C@H](C)NC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000227797778 711832952 /nfs/dbraw/zinc/83/29/52/711832952.db2.gz RTHIYDMIZBJSOM-IVZWLZJFSA-N 1 0 214.309 0.655 10 0 BCAERO COC[C@@H](C[N@@H+]1CCOC[C@@H]1CO)C(C)C ZINC000721977307 711856090 /nfs/dbraw/zinc/85/60/90/711856090.db2.gz SKXRNXLXPPIEHE-NEPJUHHUSA-N 1 0 231.336 0.598 10 0 BCAERO COC[C@H](C[N@@H+]1C[C@H](O)C[C@@H]1CO)C(C)C ZINC000721986658 711861379 /nfs/dbraw/zinc/86/13/79/711861379.db2.gz YLVZBJDWCCRKNR-QJPTWQEYSA-N 1 0 231.336 0.333 10 0 BCAERO CC(C)OC[C@H](O)CN1CCCCC[C@H]([NH3+])C1 ZINC000709017030 711976755 /nfs/dbraw/zinc/97/67/55/711976755.db2.gz VBBMVPWUEXTGQZ-QWHCGFSZSA-N 1 0 244.379 0.976 10 0 BCAERO COc1cncc(C[NH2+][C@@H]2CCCNC2=O)c1 ZINC000700073064 711985467 /nfs/dbraw/zinc/98/54/67/711985467.db2.gz TWIWKGNXVQRKAI-LLVKDONJSA-N 1 0 235.287 0.458 10 0 BCAERO CCCc1noc([C@@H]2C[NH2+]CCOC2)n1 ZINC000700376732 711990437 /nfs/dbraw/zinc/99/04/37/711990437.db2.gz HMUVIGQHFFZMED-MRVPVSSYSA-N 1 0 211.265 0.726 10 0 BCAERO Cc1cc(=O)[nH]c(C[NH2+]C(C)(C)CC(N)=O)n1 ZINC000700466265 711995777 /nfs/dbraw/zinc/99/57/77/711995777.db2.gz QCRPGDKCNPTSOL-UHFFFAOYSA-N 1 0 238.291 0.234 10 0 BCAERO Cc1cc(=O)[nH]c(C[NH2+][C@H](CCO)C(C)C)n1 ZINC000700465821 711996184 /nfs/dbraw/zinc/99/61/84/711996184.db2.gz BFEMLOMOIISVHH-SNVBAGLBSA-N 1 0 239.319 0.987 10 0 BCAERO O=C(NCCC1CCC1)[C@@H]1C[NH2+]CCOC1 ZINC000700532430 711996641 /nfs/dbraw/zinc/99/66/41/711996641.db2.gz OIHPOBDBSZCVKM-LLVKDONJSA-N 1 0 226.320 0.529 10 0 BCAERO C[NH2+]CCN(C)C(=O)[C@H]1Cc2ccccc2CO1 ZINC000700650632 712001784 /nfs/dbraw/zinc/00/17/84/712001784.db2.gz DUTHTZUXLWAUDD-CYBMUJFWSA-N 1 0 248.326 0.806 10 0 BCAERO C[C@@H](NC(=O)[C@@H]1Cc2ccccc2CO1)[C@H](C)[NH3+] ZINC000700667786 712001814 /nfs/dbraw/zinc/00/18/14/712001814.db2.gz YRHSVNQAXZJEJZ-CWSCBRNRSA-N 1 0 248.326 0.980 10 0 BCAERO CC[C@@H]([NH3+])CNC(=O)[C@@H]1Cc2ccccc2CO1 ZINC000700649357 712001916 /nfs/dbraw/zinc/00/19/16/712001916.db2.gz ANCQVZZMWCFAHF-OLZOCXBDSA-N 1 0 248.326 0.981 10 0 BCAERO CN(CCC[NH3+])C(=O)[C@@H]1Cc2ccccc2CO1 ZINC000700649323 712001980 /nfs/dbraw/zinc/00/19/80/712001980.db2.gz AIVPCZUATCJGIU-ZDUSSCGKSA-N 1 0 248.326 0.935 10 0 BCAERO C[C@@H]([NH3+])CN(C)C(=O)[C@@H]1Cc2ccccc2CO1 ZINC000700658196 712001991 /nfs/dbraw/zinc/00/19/91/712001991.db2.gz XQPLBLGADRWLAF-MFKMUULPSA-N 1 0 248.326 0.934 10 0 BCAERO O=C(N[C@@H]1CC[NH2+]C1)[C@@H]1Cc2ccccc2CO1 ZINC000700649446 712002002 /nfs/dbraw/zinc/00/20/02/712002002.db2.gz BVUWYOQDUBFGSQ-OLZOCXBDSA-N 1 0 246.310 0.606 10 0 BCAERO C[C@@H](C[NH3+])CNC(=O)[C@@H]1Cc2ccccc2CO1 ZINC000700659196 712002074 /nfs/dbraw/zinc/00/20/74/712002074.db2.gz CATRDVRVPSYGNP-GWCFXTLKSA-N 1 0 248.326 0.839 10 0 BCAERO C[NH2+][C@H](C)CNC(=O)[C@H]1Cc2ccccc2CO1 ZINC000700658093 712002125 /nfs/dbraw/zinc/00/21/25/712002125.db2.gz WSBUOWKCTMNPHE-ZWNOBZJWSA-N 1 0 248.326 0.852 10 0 BCAERO C[C@H](C[NH3+])CNC(=O)[C@H]1Cc2ccccc2CO1 ZINC000700683404 712003735 /nfs/dbraw/zinc/00/37/35/712003735.db2.gz CATRDVRVPSYGNP-ZWNOBZJWSA-N 1 0 248.326 0.839 10 0 BCAERO Cc1nc(CC(=O)N2C[C@@H](C)[C@@H]([NH3+])C2)cs1 ZINC000700776932 712006753 /nfs/dbraw/zinc/00/67/53/712006753.db2.gz SFADSAJOJVYZFY-XCBNKYQSSA-N 1 0 239.344 0.800 10 0 BCAERO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NC(=O)C1CC([NH3+])C1 ZINC000701105668 712015742 /nfs/dbraw/zinc/01/57/42/712015742.db2.gz QKMNHLDVPSWNIH-VKRRKSOHSA-N 1 0 226.320 0.652 10 0 BCAERO OCC[C@@H]1COCC[N@@H+]1C[C@H]1CCC[C@H](O)C1 ZINC000702190453 712040838 /nfs/dbraw/zinc/04/08/38/712040838.db2.gz HBHGIUKGXFWERT-XQQFMLRXSA-N 1 0 243.347 0.621 10 0 BCAERO C[C@@H](NCc1ncccn1)[C@H]1CCC[NH2+]C1 ZINC000702324665 712047177 /nfs/dbraw/zinc/04/71/77/712047177.db2.gz RINVDXFLFSBVTC-MNOVXSKESA-N 1 0 220.320 0.954 10 0 BCAERO C[N@@H+]1CC[C@@](O)(CNC(=O)N2CCCCC2)C1 ZINC000702640932 712057809 /nfs/dbraw/zinc/05/78/09/712057809.db2.gz KVKPPQTXLZJQOQ-GFCCVEGCSA-N 1 0 241.335 0.249 10 0 BCAERO CO[C@H]1C[NH2+][C@](C)(c2nc(N(C)C)no2)C1 ZINC000702737901 712060905 /nfs/dbraw/zinc/06/09/05/712060905.db2.gz QZPSKLZTLSNFEQ-XCBNKYQSSA-N 1 0 226.280 0.359 10 0 BCAERO C[C@@H]([NH3+])CCNC(=O)c1cccnc1F ZINC000706334418 712143308 /nfs/dbraw/zinc/14/33/08/712143308.db2.gz FURFGDGLVAYVRT-SSDOTTSWSA-N 1 0 211.240 0.688 10 0 BCAERO O[C@@H]1COCC[C@@H]1[NH2+]C[C@H]1CCC=CO1 ZINC000706711851 712152531 /nfs/dbraw/zinc/15/25/31/712152531.db2.gz AVLPNTQIPUFFBB-OUAUKWLOSA-N 1 0 213.277 0.419 10 0 BCAERO Cc1csc(C[NH2+][C@H]2CCOC[C@@H]2O)n1 ZINC000706790752 712155366 /nfs/dbraw/zinc/15/53/66/712155366.db2.gz HHFIDINIKLJCNR-IUCAKERBSA-N 1 0 228.317 0.691 10 0 BCAERO Cc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2O)cn1 ZINC000706791703 712155836 /nfs/dbraw/zinc/15/58/36/712155836.db2.gz ZWETZURIVCSGNS-NEPJUHHUSA-N 1 0 222.288 0.629 10 0 BCAERO CC[NH2+][C@H](C)C(=O)N1CCOC[C@@H]1C ZINC000707937589 712174147 /nfs/dbraw/zinc/17/41/47/712174147.db2.gz YQWDQIVZPOPJDC-DTWKUNHWSA-N 1 0 200.282 0.232 10 0 BCAERO CC[NH2+][C@@H](C)C(=O)N1[C@H](C)COC[C@@H]1C ZINC000707974634 712174530 /nfs/dbraw/zinc/17/45/30/712174530.db2.gz DPVINLVHJRQZHZ-AEJSXWLSSA-N 1 0 214.309 0.620 10 0 BCAERO C[C@@H]1CN(C(=O)C[C@@H]2CCCCO2)C[C@H]1C[NH3+] ZINC000708156011 712183433 /nfs/dbraw/zinc/18/34/33/712183433.db2.gz UCXVUAZLWJPZMD-UTUOFQBUSA-N 1 0 240.347 0.999 10 0 BCAERO CSC1CC([NH2+]C[C@@H](O)CN(C)C2CC2)C1 ZINC000708272350 712185023 /nfs/dbraw/zinc/18/50/23/712185023.db2.gz AKSVTGOCRGQFCZ-CKBZRRDASA-N 1 0 244.404 0.925 10 0 BCAERO CCOC[C@H]1CCN(C(=O)C2CC([NH3+])C2)C1 ZINC000708319177 712186200 /nfs/dbraw/zinc/18/62/00/712186200.db2.gz LOKFUFHSZCKEAH-WHXUTIOJSA-N 1 0 226.320 0.609 10 0 BCAERO C[C@@H]1CN(C(=O)c2ccc[nH]c2=O)C[C@@H]1C[NH3+] ZINC000708848026 712200754 /nfs/dbraw/zinc/20/07/54/712200754.db2.gz HPCHHFIZJJXNSX-BDAKNGLRSA-N 1 0 235.287 0.454 10 0 BCAERO CO[C@@H]1CN(Cc2ccn(C)n2)[C@](C)(C[NH3+])C1 ZINC000708943835 712203234 /nfs/dbraw/zinc/20/32/34/712203234.db2.gz VIEJUSPECFMCAY-RYUDHWBXSA-N 1 0 238.335 0.358 10 0 BCAERO CO[C@@H]1CN(C[C@H]2CCCO2)[C@@](C)(C[NH3+])C1 ZINC000708939463 712203700 /nfs/dbraw/zinc/20/37/00/712203700.db2.gz DLAQLUZYYYSHGY-GRYCIOLGSA-N 1 0 228.336 0.604 10 0 BCAERO CO[C@H]1CN(Cc2nonc2C)[C@@](C)(C[NH3+])C1 ZINC000708950242 712204056 /nfs/dbraw/zinc/20/40/56/712204056.db2.gz IJFNJXAWOPBCBH-MWLCHTKSSA-N 1 0 240.307 0.316 10 0 BCAERO CO[C@H]1CN(C(=O)C(C)(F)F)[C@@](C)(C[NH3+])C1 ZINC000708956040 712204365 /nfs/dbraw/zinc/20/43/65/712204365.db2.gz UQTQVYSBECCIAE-VXNVDRBHSA-N 1 0 236.262 0.606 10 0 BCAERO CO[C@@H]1CN(Cc2nonc2C)[C@](C)(C[NH3+])C1 ZINC000708950243 712204712 /nfs/dbraw/zinc/20/47/12/712204712.db2.gz IJFNJXAWOPBCBH-ONGXEEELSA-N 1 0 240.307 0.316 10 0 BCAERO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(c1ncc(F)cn1)C2 ZINC000709798153 712227637 /nfs/dbraw/zinc/22/76/37/712227637.db2.gz FDKOFAYRXBPDFQ-SFGNSQDASA-N 1 0 222.267 0.932 10 0 BCAERO C[C@@H]1COC[C@H](C)N1C(=O)[C@@H]1[NH2+]CC1(C)C ZINC000710185081 712247300 /nfs/dbraw/zinc/24/73/00/712247300.db2.gz OHUNFDPLYBULIB-AEJSXWLSSA-N 1 0 226.320 0.620 10 0 BCAERO COC[C@]1(C(=O)N[C@@H](C)C(C)C)C[NH2+]CCO1 ZINC000710691502 712254388 /nfs/dbraw/zinc/25/43/88/712254388.db2.gz RDDRTORQQMRRAW-JQWIXIFHSA-N 1 0 244.335 0.152 10 0 BCAERO C[C@H](C[N@@H+]1CCC[C@](O)(C(N)=O)C1)C(C)(C)C ZINC000710747917 712255355 /nfs/dbraw/zinc/25/53/55/712255355.db2.gz SRZYFKSIUONQRD-ZWNOBZJWSA-N 1 0 242.363 0.981 10 0 BCAERO CN(CCCCCC[NH3+])c1nccn(C)c1=O ZINC000710797957 712257310 /nfs/dbraw/zinc/25/73/10/712257310.db2.gz IPUDLCBQPNQGHR-UHFFFAOYSA-N 1 0 238.335 0.736 10 0 BCAERO [NH3+][C@H]1CC[C@H](C(=O)NC[C@H]2CCC[C@@H]2O)CC1 ZINC000710867472 712260048 /nfs/dbraw/zinc/26/00/48/712260048.db2.gz DZQBDTRVUBIXOC-KKOKHZNYSA-N 1 0 240.347 0.781 10 0 BCAERO [NH3+][C@H]1CC[C@H](C(=O)N[C@@H]2CCCOC2)CC1 ZINC000710930439 712266094 /nfs/dbraw/zinc/26/60/94/712266094.db2.gz VIDUTVSVBZIZRI-GMTAPVOTSA-N 1 0 226.320 0.799 10 0 BCAERO CO[C@@H]1C[C@H]([NH2+][C@@H]2COCC[C@H]2O)C12CCC2 ZINC000710921784 712266253 /nfs/dbraw/zinc/26/62/53/712266253.db2.gz MQIFPMDNHCZSIX-WISYIIOYSA-N 1 0 241.331 0.683 10 0 BCAERO C[C@@H]1OCC[C@@H]1NC(=O)[C@H]1C[NH2+]CC1(C)C ZINC000711216609 712289701 /nfs/dbraw/zinc/28/97/01/712289701.db2.gz VVNRFURKARSCGO-AEJSXWLSSA-N 1 0 226.320 0.526 10 0 BCAERO O=C(N[C@@H]1CCCOC1)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000711290640 712292453 /nfs/dbraw/zinc/29/24/53/712292453.db2.gz ROBMYCQXFPNWTP-WZRBSPASSA-N 1 0 238.331 0.814 10 0 BCAERO CC(C)(C)[C@H](O)CNC(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000711279089 712292583 /nfs/dbraw/zinc/29/25/83/712292583.db2.gz FOXBIGXPCFEHFO-VHSXEESVSA-N 1 0 242.363 0.755 10 0 BCAERO CC1(CNC(=O)[C@]23CCC[C@H]2[NH2+]CC3)COC1 ZINC000711291917 712293146 /nfs/dbraw/zinc/29/31/46/712293146.db2.gz VAGMWYLPHAELRU-MFKMUULPSA-N 1 0 238.331 0.671 10 0 BCAERO CC1(C)C[NH2+]C[C@H]1C(=O)NCC[C@@H]1CCCO1 ZINC000711346734 712295001 /nfs/dbraw/zinc/29/50/01/712295001.db2.gz KDGFXLFTEAGDGP-QWRGUYRKSA-N 1 0 240.347 0.917 10 0 BCAERO C[C@H](NC(=O)[C@H]1C[NH2+]CC1(C)C)[C@H]1CCCO1 ZINC000711346798 712295043 /nfs/dbraw/zinc/29/50/43/712295043.db2.gz LYDYWAHSCQDWQO-HBNTYKKESA-N 1 0 240.347 0.916 10 0 BCAERO CC1(C)C[NH2+]C[C@@H]1C(=O)NCC[C@@H]1CCCO1 ZINC000711346735 712295068 /nfs/dbraw/zinc/29/50/68/712295068.db2.gz KDGFXLFTEAGDGP-WDEREUQCSA-N 1 0 240.347 0.917 10 0 BCAERO CS/C=C\C(=O)N1CCC[C@H]1C[NH3+] ZINC000379629913 712390747 /nfs/dbraw/zinc/39/07/47/712390747.db2.gz MLZUVCLNXUZYHT-HORMHSFOSA-N 1 0 200.307 0.813 10 0 BCAERO COc1c(C[NH2+]C[C@@H]2CCN2C)c(C)nn1C ZINC000712593129 712435370 /nfs/dbraw/zinc/43/53/70/712435370.db2.gz CAMIRVWSYLNPKH-JTQLQIEISA-N 1 0 238.335 0.531 10 0 BCAERO Cc1c(C[NH2+]C[C@@H]2CCN2C)cnn1C ZINC000712603747 712436652 /nfs/dbraw/zinc/43/66/52/712436652.db2.gz BDVYWOCVUZQIIR-NSHDSACASA-N 1 0 208.309 0.522 10 0 BCAERO CCN1CC[C@@H]1C[NH2+][C@@H]1CCCC[C@H]1O ZINC000712533109 712442178 /nfs/dbraw/zinc/44/21/78/712442178.db2.gz FRHIHBGQPLIOPF-IJLUTSLNSA-N 1 0 212.337 0.974 10 0 BCAERO CN(c1nnnn1C)C1(C[NH3+])CCCCC1 ZINC000713369941 712459841 /nfs/dbraw/zinc/45/98/41/712459841.db2.gz AVFIGXSVMIPSFN-UHFFFAOYSA-N 1 0 224.312 0.308 10 0 BCAERO [NH3+]C1CC(CNC(=O)c2n[nH]c3c2CCCC3)C1 ZINC000713768712 712472092 /nfs/dbraw/zinc/47/20/92/712472092.db2.gz DEUUVYVYVNDKJT-UHFFFAOYSA-N 1 0 248.330 0.756 10 0 BCAERO [NH3+]C[C@@H]1C[C@@H](C(=O)NCC(F)(F)F)CO1 ZINC000713890314 712472356 /nfs/dbraw/zinc/47/23/56/712472356.db2.gz XGBUYSDZVQPCJW-RITPCOANSA-N 1 0 226.198 0.029 10 0 BCAERO CCC(CC)CNC(=O)[C@@H]1CO[C@@H](C[NH3+])C1 ZINC000713885065 712472415 /nfs/dbraw/zinc/47/24/15/712472415.db2.gz ZMGLKHHFNRBMLW-WDEREUQCSA-N 1 0 228.336 0.903 10 0 BCAERO [NH3+]C[C@@H]1C[C@H](C(=O)NC2CCCC2)CO1 ZINC000713876516 712472483 /nfs/dbraw/zinc/47/24/83/712472483.db2.gz YQSJVONHBWZDTE-WPRPVWTQSA-N 1 0 212.293 0.409 10 0 BCAERO CSCCCNC(=O)[C@H]1CO[C@@H](C[NH3+])C1 ZINC000713890365 712472624 /nfs/dbraw/zinc/47/26/24/712472624.db2.gz YBPIZUDBWNTEMO-RKDXNWHRSA-N 1 0 232.349 0.220 10 0 BCAERO C[C@@H]1CCCCN1C(=O)[C@H]1CO[C@@H](C[NH3+])C1 ZINC000713826343 712472883 /nfs/dbraw/zinc/47/28/83/712472883.db2.gz WSFVCCMAPQQXFG-GMTAPVOTSA-N 1 0 226.320 0.751 10 0 BCAERO CCN(CC)C(=O)[C@H]1CO[C@H](C[NH3+])C1 ZINC000713838674 712473216 /nfs/dbraw/zinc/47/32/16/712473216.db2.gz SHDIOYYUINFQQM-BDAKNGLRSA-N 1 0 200.282 0.219 10 0 BCAERO [NH3+]C[C@@H]1C[C@H](C(=O)NC(C2CC2)C2CC2)CO1 ZINC000713808894 712473001 /nfs/dbraw/zinc/47/30/01/712473001.db2.gz CVQQZSNELSHBGW-QWRGUYRKSA-N 1 0 238.331 0.655 10 0 BCAERO C[C@@H]1CCCCN1C(=O)[C@@H]1CO[C@@H](C[NH3+])C1 ZINC000713826348 712473011 /nfs/dbraw/zinc/47/30/11/712473011.db2.gz WSFVCCMAPQQXFG-OUAUKWLOSA-N 1 0 226.320 0.751 10 0 BCAERO Cc1cc(NC(=O)[C@@H]2CO[C@H](C[NH3+])C2)n(C)n1 ZINC000713816258 712473034 /nfs/dbraw/zinc/47/30/34/712473034.db2.gz ZCLDQVWHNCXCTR-IUCAKERBSA-N 1 0 238.291 0.031 10 0 BCAERO CCN(CC)C(=O)[C@@H]1CO[C@H](C[NH3+])C1 ZINC000713838677 712473512 /nfs/dbraw/zinc/47/35/12/712473512.db2.gz SHDIOYYUINFQQM-IUCAKERBSA-N 1 0 200.282 0.219 10 0 BCAERO [NH3+]C[C@@H]1C[C@H](C(=O)NCc2cccs2)CO1 ZINC000713852635 712473513 /nfs/dbraw/zinc/47/35/13/712473513.db2.gz LRAQAOUVMUXSGO-IUCAKERBSA-N 1 0 240.328 0.728 10 0 BCAERO COCC1CC(NC(=O)C[C@@H]2CCC[NH2+]2)C1 ZINC000713934606 712473616 /nfs/dbraw/zinc/47/36/16/712473616.db2.gz GAFLYSKAAJKIJX-YVNMAJEFSA-N 1 0 226.320 0.670 10 0 BCAERO C[NH2+]CCCC(=O)NC1CC(COC)C1 ZINC000713931401 712473698 /nfs/dbraw/zinc/47/36/98/712473698.db2.gz SMDNTBDZIDCPCR-UHFFFAOYSA-N 1 0 214.309 0.527 10 0 BCAERO COCC1CC([NH2+][C@@H]2CCCS(=O)(=O)C2)C1 ZINC000713931369 712473836 /nfs/dbraw/zinc/47/38/36/712473836.db2.gz RYCRJZWNPJFGKI-HSOILSAZSA-N 1 0 247.360 0.578 10 0 BCAERO COCC1CC(NC(=O)[C@H]2CC[NH2+]C2)C1 ZINC000713930083 712473923 /nfs/dbraw/zinc/47/39/23/712473923.db2.gz HDWNRVYHJMLPOZ-KYHHOPLUSA-N 1 0 212.293 0.137 10 0 BCAERO [NH3+]C[C@@H]1C[C@H](c2nc(-c3ccccn3)no2)CO1 ZINC000714062230 712477796 /nfs/dbraw/zinc/47/77/96/712477796.db2.gz DNARYXURLQIRHH-IUCAKERBSA-N 1 0 246.270 0.963 10 0 BCAERO CCCc1noc([C@H]2CO[C@H](C[NH3+])C2)n1 ZINC000714078141 712477988 /nfs/dbraw/zinc/47/79/88/712477988.db2.gz UNWTTXMCJMKQLV-SFYZADRCSA-N 1 0 211.265 0.853 10 0 BCAERO CCn1cc(C[NH2+][C@H]2CCC(=O)N[C@@H]2C)nn1 ZINC000714912298 712499564 /nfs/dbraw/zinc/49/95/64/712499564.db2.gz PDQZTGGXMHATNB-SCZZXKLOSA-N 1 0 237.307 0.055 10 0 BCAERO [NH3+]C[C@@H]1[C@H](C(=O)NC[C@H]2CCC[C@H]2O)C1(F)F ZINC000715074381 712506043 /nfs/dbraw/zinc/50/60/43/712506043.db2.gz QHCSYJPMTQSGSL-FNCVBFRFSA-N 1 0 248.273 0.104 10 0 BCAERO [NH3+]C1CC(CNS(=O)(=O)c2cccs2)C1 ZINC000715095655 712508279 /nfs/dbraw/zinc/50/82/79/712508279.db2.gz IBCXZZWESVXZLG-UHFFFAOYSA-N 1 0 246.357 0.764 10 0 BCAERO Cc1cc(OCC(=O)NCC2CC([NH3+])C2)no1 ZINC000715098068 712508920 /nfs/dbraw/zinc/50/89/20/712508920.db2.gz XXYQQXPDNROCFY-UHFFFAOYSA-N 1 0 239.275 0.215 10 0 BCAERO CN(C)C(=O)c1ccc(NC[C@H]2C[C@@H]([NH3+])C2)nc1 ZINC000715110132 712509276 /nfs/dbraw/zinc/50/92/76/712509276.db2.gz PYKMAVGSRNELHA-JGZJWPJOSA-N 1 0 248.330 0.933 10 0 BCAERO [NH3+]C1CC(CNC(=O)c2cccc(F)n2)C1 ZINC000715129079 712511240 /nfs/dbraw/zinc/51/12/40/712511240.db2.gz JFCROYUGOHLQTG-UHFFFAOYSA-N 1 0 223.251 0.688 10 0 BCAERO [NH3+][C@H]1C[C@@H](CNc2nccn3cnnc23)C1 ZINC000715145801 712512569 /nfs/dbraw/zinc/51/25/69/712512569.db2.gz GFRVLEJEQQAPAO-OCAPTIKFSA-N 1 0 218.264 0.274 10 0 BCAERO CCn1ccnc(NC[C@H]2C[C@@H]([NH3+])C2)c1=O ZINC000715153169 712512901 /nfs/dbraw/zinc/51/29/01/712512901.db2.gz TWCLKEYFCIDXBI-DTORHVGOSA-N 1 0 222.292 0.412 10 0 BCAERO [NH3+]C[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCC[C@@H](O)C1 ZINC000715227569 712513726 /nfs/dbraw/zinc/51/37/26/712513726.db2.gz NZQTVCMXHQVZLI-JLIMGVALSA-N 1 0 212.293 0.001 10 0 BCAERO C[C@H](NC(=O)[C@]12C[NH2+]C[C@H]1COCC2)C1CC1 ZINC000715441214 712519183 /nfs/dbraw/zinc/51/91/83/712519183.db2.gz KAGASJFWPOPIOQ-XHVZSJERSA-N 1 0 238.331 0.527 10 0 BCAERO CC(C)C[C@@H]([NH3+])C(=O)N[C@@H]1CCC[C@H](O)C1 ZINC000037001089 712528805 /nfs/dbraw/zinc/52/88/05/712528805.db2.gz XAKHLWNNBCWYLO-OUAUKWLOSA-N 1 0 228.336 0.780 10 0 BCAERO C[C@@H]1[C@@H](O)CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC000715840883 712533001 /nfs/dbraw/zinc/53/30/01/712533001.db2.gz AHXQTBRTWSPOLG-MNOVXSKESA-N 1 0 238.331 0.454 10 0 BCAERO CC(C)(C)[C@H](O)CNC(=O)C12CC[NH+](CC1)C2 ZINC000715860986 712537304 /nfs/dbraw/zinc/53/73/04/712537304.db2.gz XUYJPFOYBYMESL-SNVBAGLBSA-N 1 0 240.347 0.605 10 0 BCAERO C[C@@H]1CSC[C@@H]1[NH2+]C1CC(C(N)=O)C1 ZINC000716731812 712571633 /nfs/dbraw/zinc/57/16/33/712571633.db2.gz PTJCTRDQMUNSFL-KHONBHQKSA-N 1 0 214.334 0.591 10 0 BCAERO NC(=O)C1CC([NH2+]CC2=CCCOC2)C1 ZINC000716682755 712569785 /nfs/dbraw/zinc/56/97/85/712569785.db2.gz FDYJGULKAORNTD-UHFFFAOYSA-N 1 0 210.277 0.187 10 0 BCAERO Cc1nnsc1C[NH2+]C1CC(C(N)=O)C1 ZINC000716683178 712569957 /nfs/dbraw/zinc/56/99/57/712569957.db2.gz GSQAVOUDNZVAEZ-UHFFFAOYSA-N 1 0 226.305 0.200 10 0 BCAERO CC1(C)[C@H]([NH2+]C2CC(C(N)=O)C2)[C@@H]2CCO[C@@H]21 ZINC000716682700 712570052 /nfs/dbraw/zinc/57/00/52/712570052.db2.gz DDHMUXZDCMHYDN-XMQAKKJDSA-N 1 0 238.331 0.653 10 0 BCAERO CCC[C@@H](C[NH2+]C1CC(C(N)=O)C1)OC ZINC000716682778 712570107 /nfs/dbraw/zinc/57/01/07/712570107.db2.gz GAVMISHSJFPBQE-RTBKNWGFSA-N 1 0 214.309 0.655 10 0 BCAERO Cc1cc(C[NH2+]C2CC(C(N)=O)C2)n(C)n1 ZINC000716717126 712570723 /nfs/dbraw/zinc/57/07/23/712570723.db2.gz OSORUHLGHWXJHU-UHFFFAOYSA-N 1 0 222.292 0.082 10 0 BCAERO COCC[C@H](C)[NH2+]C1CC(C(N)=O)C1 ZINC000716723806 712571198 /nfs/dbraw/zinc/57/11/98/712571198.db2.gz QCFPPEXEZMGHJF-UEJVZZJDSA-N 1 0 200.282 0.265 10 0 BCAERO CO[C@@H](C[NH2+]C1CC(C(N)=O)C1)C1CC1 ZINC000716754301 712572389 /nfs/dbraw/zinc/57/23/89/712572389.db2.gz HCJXHCJDXJXODW-RTBKNWGFSA-N 1 0 212.293 0.265 10 0 BCAERO C[C@H]([NH2+]C1CC(C(N)=O)C1)c1cnccn1 ZINC000716755240 712572558 /nfs/dbraw/zinc/57/25/58/712572558.db2.gz LVHSBXRPIDCBTM-UEJVZZJDSA-N 1 0 220.276 0.391 10 0 BCAERO CO[C@H]1CCC[C@@H]([NH2+]C2CC(C(N)=O)C2)C1 ZINC000716768821 712572782 /nfs/dbraw/zinc/57/27/82/712572782.db2.gz FGQFLPJRZUKZQP-DJRKXVOMSA-N 1 0 226.320 0.798 10 0 BCAERO CCCn1nccc1C[NH2+]C1CC(C(N)=O)C1 ZINC000716783116 712573136 /nfs/dbraw/zinc/57/31/36/712573136.db2.gz NZIZBYUBHPERFW-UHFFFAOYSA-N 1 0 236.319 0.647 10 0 BCAERO Cc1ccc(O)c(C[NH2+]C2CC(C(N)=O)C2)n1 ZINC000716783691 712573195 /nfs/dbraw/zinc/57/31/95/712573195.db2.gz YDGQVRXURCBSTL-UHFFFAOYSA-N 1 0 235.287 0.449 10 0 BCAERO COC[C@@](C)(CO)[NH2+]CC1CC(OC)C1 ZINC000716892252 712580842 /nfs/dbraw/zinc/58/08/42/712580842.db2.gz LVXZRFJRHVBOGZ-VQXHTEKXSA-N 1 0 217.309 0.398 10 0 BCAERO C[NH2+][C@@H](C)CNC(=O)C[C@@H]1CC(C)(C)CO1 ZINC000717079361 712628886 /nfs/dbraw/zinc/62/88/86/712628886.db2.gz ICUIVWFSMOMHSL-VHSXEESVSA-N 1 0 228.336 0.916 10 0 BCAERO C[C@H]1COCCN1C(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000717307023 712646394 /nfs/dbraw/zinc/64/63/94/712646394.db2.gz RQKLFUISGGDODZ-DTWKUNHWSA-N 1 0 248.273 0.479 10 0 BCAERO C[C@@H]([NH3+])CC(=O)N[C@H]1CCC[C@H](O)C1 ZINC000037476473 712648063 /nfs/dbraw/zinc/64/80/63/712648063.db2.gz AFXBLAFLZXUNFW-VGMNWLOBSA-N 1 0 200.282 0.143 10 0 BCAERO C[C@@H](NC(=O)C[NH2+]CC1CC1)[C@@H]1CCCO1 ZINC000037478330 712648314 /nfs/dbraw/zinc/64/83/14/712648314.db2.gz DXUFQMWTVCWNQC-KOLCDFICSA-N 1 0 226.320 0.670 10 0 BCAERO CN(C(=O)COC1CC1)[C@H](C[NH3+])C(F)(F)F ZINC000717663387 712663605 /nfs/dbraw/zinc/66/36/05/712663605.db2.gz FGOLXJAPVHSRTR-SSDOTTSWSA-N 1 0 240.225 0.513 10 0 BCAERO C[C@@H]([NH3+])CC(=O)Nc1ccc(NC(N)=O)cc1 ZINC000037608510 712676133 /nfs/dbraw/zinc/67/61/33/712676133.db2.gz MHCHQJXZOGXGKU-SSDOTTSWSA-N 1 0 236.275 0.853 10 0 BCAERO C[NH2+][C@H](C)CNC(=O)C(=O)C(C)(C)C ZINC000380074272 712684855 /nfs/dbraw/zinc/68/48/55/712684855.db2.gz ODJLZTRUPPIEIM-SSDOTTSWSA-N 1 0 200.282 0.326 10 0 BCAERO Cc1coc(C(=O)NC[C@@H]2CC[NH2+]C2)c1 ZINC000718454445 712763079 /nfs/dbraw/zinc/76/30/79/712763079.db2.gz COTBSTMTOBKQQT-SECBINFHSA-N 1 0 208.261 0.927 10 0 BCAERO C[C@@H]([NH3+])CC(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000037815470 712764825 /nfs/dbraw/zinc/76/48/25/712764825.db2.gz OAQIDLXIPLIIEF-OUAUKWLOSA-N 1 0 226.320 0.894 10 0 BCAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)[C@@H]1C[C@H](C)CO1 ZINC000718475239 712764917 /nfs/dbraw/zinc/76/49/17/712764917.db2.gz HEQNLTULZXITER-JXUBOQSCSA-N 1 0 212.293 0.360 10 0 BCAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)[C@@H]1C[C@H](C)CO1 ZINC000718475237 712764928 /nfs/dbraw/zinc/76/49/28/712764928.db2.gz HEQNLTULZXITER-JLIMGVALSA-N 1 0 212.293 0.360 10 0 BCAERO C[C@@H]1CO[C@H](C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)C1 ZINC000718515083 712768344 /nfs/dbraw/zinc/76/83/44/712768344.db2.gz DYPUYPKLNUNKIO-HTFCKZLJSA-N 1 0 238.331 0.607 10 0 BCAERO C[C@@H]1CO[C@H](C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)C1 ZINC000718515087 712768361 /nfs/dbraw/zinc/76/83/61/712768361.db2.gz DYPUYPKLNUNKIO-NGDQXYMTSA-N 1 0 238.331 0.607 10 0 BCAERO O[C@@H]1CCC[C@H]1[N@@H+]1CCC[C@H](C2OCCO2)C1 ZINC000719105916 712796885 /nfs/dbraw/zinc/79/68/85/712796885.db2.gz XYOQJTDFPPMWIV-QJPTWQEYSA-N 1 0 241.331 0.985 10 0 BCAERO OC[C@H]1C[C@@H](O)C[N@@H+]1CCc1ccns1 ZINC000719881681 712826192 /nfs/dbraw/zinc/82/61/92/712826192.db2.gz WLFSENYXNUUZFE-RKDXNWHRSA-N 1 0 228.317 0.113 10 0 BCAERO C[C@@H](C(=O)NCC[C@H](C)[NH3+])[C@H]1CCCO1 ZINC000720541239 712850174 /nfs/dbraw/zinc/85/01/74/712850174.db2.gz MURJVBVPCVAQME-IVZWLZJFSA-N 1 0 214.309 0.655 10 0 BCAERO C[C@H](N[C@@H]1CCC[C@@H]([NH3+])C1)c1cn(C)nn1 ZINC000720585082 712854883 /nfs/dbraw/zinc/85/48/83/712854883.db2.gz VJMMCIDETCZBPJ-IVZWLZJFSA-N 1 0 223.324 0.736 10 0 BCAERO C[C@@H](N[C@@H](C)c1cn(C)nn1)[C@H]1CCC[NH2+]C1 ZINC000720606249 712857732 /nfs/dbraw/zinc/85/77/32/712857732.db2.gz KEZFSFYFCCEEPO-VWYCJHECSA-N 1 0 237.351 0.854 10 0 BCAERO CC1(C)CN(c2ccncc2C(N)=O)C[C@H]1[NH3+] ZINC000720754505 712863572 /nfs/dbraw/zinc/86/35/72/712863572.db2.gz DPJZPQDTJHGOMV-SNVBAGLBSA-N 1 0 234.303 0.354 10 0 BCAERO COC(=O)CCN1C[C@@H]([NH3+])C(C)(C)C1 ZINC000720765930 712864209 /nfs/dbraw/zinc/86/42/09/712864209.db2.gz DLWPWEBDOPBFIM-MRVPVSSYSA-N 1 0 200.282 0.219 10 0 BCAERO CCc1nnc(CN(CC[NH2+]C)C(C)C)n1C ZINC000720789969 712866122 /nfs/dbraw/zinc/86/61/22/712866122.db2.gz BTVPGJJBZHYRKE-UHFFFAOYSA-N 1 0 239.367 0.807 10 0 BCAERO C[NH2+]CCN(c1ncnc2nc[nH]c21)C(C)C ZINC000720791570 712866134 /nfs/dbraw/zinc/86/61/34/712866134.db2.gz OPUXPAMYLRKWIN-UHFFFAOYSA-N 1 0 234.307 0.787 10 0 BCAERO [NH3+]Cc1cn(C[C@@H]2C[C@H]3CCC[C@@H]3O2)nn1 ZINC000720865752 712871475 /nfs/dbraw/zinc/87/14/75/712871475.db2.gz BBZYFJRVNVJGIP-MIMYLULJSA-N 1 0 222.292 0.694 10 0 BCAERO [NH3+][C@@H]1CN(C[C@H]2CCCO2)C[C@H]1C(F)(F)F ZINC000720879062 712872850 /nfs/dbraw/zinc/87/28/50/712872850.db2.gz ISHJMSJNQMSTCT-IWSPIJDZSA-N 1 0 238.253 0.987 10 0 BCAERO O=C(NCC[C@H]1CCCO1)[C@@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC000721023884 712886962 /nfs/dbraw/zinc/88/69/62/712886962.db2.gz HNDDDVUCCHAFLB-WISYIIOYSA-N 1 0 238.331 0.527 10 0 BCAERO O=C(N[C@@H]1CCC[C@@H](O)C1)[C@@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC000721023745 712887239 /nfs/dbraw/zinc/88/72/39/712887239.db2.gz FSTVVFFMDONDMM-PZWNZHSQSA-N 1 0 238.331 0.262 10 0 BCAERO CCC[N@@H+]1CC[C@@H](N)[C@@]12CN1CCC2CC1 ZINC000685953487 538897837 /nfs/dbraw/zinc/89/78/37/538897837.db2.gz HTVPHQJOTMNBKU-OLZOCXBDSA-N 1 0 223.364 0.894 10 0 BCAERO CCC[N@@H+]1CC[C@@H](N)[C@]12CN1CCC2CC1 ZINC000685953484 538898265 /nfs/dbraw/zinc/89/82/65/538898265.db2.gz HTVPHQJOTMNBKU-CHWSQXEVSA-N 1 0 223.364 0.894 10 0 BCAERO CC[C@H]1[NH2+]CC[C@@H]1c1n[nH]nc1C(=O)OC ZINC000685953905 538898567 /nfs/dbraw/zinc/89/85/67/538898567.db2.gz OOPHPRYEXAHPHW-NKWVEPMBSA-N 1 0 224.264 0.447 10 0 BCAERO C1=C(c2n[nH]c3c2COCC3)CC[NH2+]C1 ZINC000685953666 538898751 /nfs/dbraw/zinc/89/87/51/538898751.db2.gz YVDZUDDUEGQHHP-UHFFFAOYSA-N 1 0 205.261 0.859 10 0 BCAERO C[C@@H]1C[C@H](C[NH3+])CC[C@@H]1S(C)(=O)=O ZINC000685955106 538900133 /nfs/dbraw/zinc/90/01/33/538900133.db2.gz SZFXSLXILIHXSL-HLTSFMKQSA-N 1 0 205.323 0.795 10 0 BCAERO COC[C@H](COCC(F)(F)C[NH3+])OC ZINC000685955478 538901175 /nfs/dbraw/zinc/90/11/75/538901175.db2.gz FBPAGDWQSNQRBG-SSDOTTSWSA-N 1 0 213.224 0.258 10 0 BCAERO CC(C)[NH2+]CC[C@@H](CO)[C@@H]1CCS(=O)(=O)C1 ZINC000685960845 538907495 /nfs/dbraw/zinc/90/74/95/538907495.db2.gz FGBADDMPMUDYAT-WDEREUQCSA-N 1 0 249.376 0.418 10 0 BCAERO Cc1cc(C)n(C[C@H]2CCC[NH2+]C2)c(=O)n1 ZINC000043493766 177929943 /nfs/dbraw/zinc/92/99/43/177929943.db2.gz BJNKPGSXCFADSF-NSHDSACASA-N 1 0 221.304 0.860 10 0 BCAERO CCOC(=O)c1n[nH]nc1[C@H]1CCC[NH2+]C1 ZINC000685953090 538896721 /nfs/dbraw/zinc/89/67/21/538896721.db2.gz FVFZQBMTJCOILI-ZETCQYMHSA-N 1 0 224.264 0.448 10 0 BCAERO CCOC(=O)c1n[nH]nc1[C@@H](C[NH3+])C(C)C ZINC000685953252 538897348 /nfs/dbraw/zinc/89/73/48/538897348.db2.gz JVLLHPHLYZIZBP-ZETCQYMHSA-N 1 0 226.280 0.680 10 0 BCAERO C[C@H](C(N)=[NH2+])N1CCSC[C@@H](C)C1 ZINC000307361807 398138351 /nfs/dbraw/zinc/13/83/51/398138351.db2.gz HZXCLSCTFSWIEO-JGVFFNPUSA-N 1 0 201.339 0.996 10 0 BCAERO CC(C)S(=O)(=O)NC[C@@H]1C[C@@H]2C[C@H]([NH3+])[C@H]2C1 ZINC000675074337 538915264 /nfs/dbraw/zinc/91/52/64/538915264.db2.gz ZZARVPOJTWIFQU-ZNSHCXBVSA-N 1 0 246.376 0.688 10 0 BCAERO CC[N@@H+]1CCO[C@@H](Cn2cnc(N)c2)C1 ZINC000685964198 538911146 /nfs/dbraw/zinc/91/11/46/538911146.db2.gz LECSOOMEDPOAJH-SECBINFHSA-N 1 0 210.281 0.186 10 0 BCAERO FC(F)(F)[C@@H]([C@@H]1CCOC1)N1CC[NH2+]CC1 ZINC000685965181 538911458 /nfs/dbraw/zinc/91/14/58/538911458.db2.gz SAENJZDSPXCBGD-RKDXNWHRSA-N 1 0 238.253 0.859 10 0 BCAERO COC(=O)C[C@@H]1CN(C2CCOCC2)CCO1 ZINC000152040760 136212369 /nfs/dbraw/zinc/21/23/69/136212369.db2.gz NEQTWOULABPWCW-LLVKDONJSA-N 1 0 243.303 0.429 10 0 BCAERO CC(C)[NH2+]CCC(=O)N1CCn2ccnc2C1 ZINC000062254846 349462479 /nfs/dbraw/zinc/46/24/79/349462479.db2.gz JFZAESCZTDYWOS-UHFFFAOYSA-N 1 0 236.319 0.613 10 0 BCAERO CCC(CC)(C[NH3+])C(=O)NC[C@H]1CCOC1 ZINC000061146862 168323118 /nfs/dbraw/zinc/32/31/18/168323118.db2.gz CQIOZXGVFJERAC-SNVBAGLBSA-N 1 0 228.336 0.904 10 0 BCAERO C[NH2+][C@H](C)C(=O)N1CCN(C2CCC2)CC1 ZINC000378698960 346811053 /nfs/dbraw/zinc/81/10/53/346811053.db2.gz HYHBCVXSNATMFZ-SNVBAGLBSA-N 1 0 225.336 0.291 10 0 BCAERO Cn1ncc(CC(=O)[C@@H]2CC[C@@H]([NH3+])C2)n1 ZINC000307377237 398143750 /nfs/dbraw/zinc/14/37/50/398143750.db2.gz WMMNHMXUKGYLKB-HTQZYQBOSA-N 1 0 208.265 0.054 10 0 BCAERO OC[C@@]1(Cc2cccc(F)c2)C[NH2+]CCO1 ZINC000616588363 349491402 /nfs/dbraw/zinc/49/14/02/349491402.db2.gz DDVNJQACZJFAFG-GFCCVEGCSA-N 1 0 225.263 0.719 10 0 BCAERO OCC[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000161578401 349475698 /nfs/dbraw/zinc/47/56/98/349475698.db2.gz ADQUFADPZNWTJY-LBPRGKRZSA-N 1 0 228.336 0.023 10 0 BCAERO O=C(NCc1cccc(O)c1)NC1C[NH2+]C1 ZINC000258532038 349507960 /nfs/dbraw/zinc/50/79/60/349507960.db2.gz NOYVHCCUARRASL-UHFFFAOYSA-N 1 0 221.260 0.163 10 0 BCAERO CO[C@H]1C[NH2+][C@@H](C(=O)NCc2ccsc2)C1 ZINC000063154658 349500611 /nfs/dbraw/zinc/50/06/11/349500611.db2.gz WCVQCAUANXBPGF-NXEZZACHSA-N 1 0 240.328 0.741 10 0 BCAERO COc1ccc2c(c1)NC(=O)[C@@]21CC[NH2+]C1 ZINC000213621025 349504320 /nfs/dbraw/zinc/50/43/20/349504320.db2.gz FNWRXTNJCPOCDP-GFCCVEGCSA-N 1 0 218.256 0.878 10 0 BCAERO Cc1cc(C[N@@H+]2CC[C@H](CCO)C2)nn1C ZINC000336693620 178003063 /nfs/dbraw/zinc/00/30/63/178003063.db2.gz DIKNWQKXISBXBK-LLVKDONJSA-N 1 0 223.320 0.933 10 0 BCAERO CN(Cc1cn[nH]c1)C(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000649335146 398152420 /nfs/dbraw/zinc/15/24/20/398152420.db2.gz HICFUEGUOLVMES-DTWKUNHWSA-N 1 0 226.255 0.068 10 0 BCAERO C[C@]1(C(=O)N2C[C@@H]3C[C@@H]3C2)CCCC[NH2+]1 ZINC000379552387 398153815 /nfs/dbraw/zinc/15/38/15/398153815.db2.gz DBRLSNUNIRFREE-JFGNBEQYSA-N 1 0 208.305 0.997 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@@H]2C1 ZINC000379550751 398153878 /nfs/dbraw/zinc/15/38/78/398153878.db2.gz OZFXQIKDBPCUFT-MMWGEVLESA-N 1 0 208.305 0.840 10 0 BCAERO Cc1cc(C[NH2+]C(C)(C)C(N)=O)c(C)n1C ZINC000052790426 178016393 /nfs/dbraw/zinc/01/63/93/178016393.db2.gz ROHQUOPEORQVSK-UHFFFAOYSA-N 1 0 223.320 0.995 10 0 BCAERO Cc1cc(CNC(=O)c2c[nH+]ccc2N)on1 ZINC000127527796 178017434 /nfs/dbraw/zinc/01/74/34/178017434.db2.gz URWGBTMSQIUKAC-UHFFFAOYSA-N 1 0 232.243 0.890 10 0 BCAERO Cc1cc(C[NH2+][C@@H]2CCC(=O)N[C@@H]2C)on1 ZINC000282202809 178033511 /nfs/dbraw/zinc/03/35/11/178033511.db2.gz CSKQYOTUGKZBGG-PSASIEDQSA-N 1 0 223.276 0.740 10 0 BCAERO c1cnc(CCN2CC[N@@H+]3CCC[C@H]3C2)cn1 ZINC000390386763 398172946 /nfs/dbraw/zinc/17/29/46/398172946.db2.gz ZUGNJPMPEPNGPQ-ZDUSSCGKSA-N 1 0 232.331 0.799 10 0 BCAERO Cc1ccc(C(=O)N2CC[C@@H]([NH3+])[C@H]2C)c(=O)[nH]1 ZINC000379745333 398164128 /nfs/dbraw/zinc/16/41/28/398164128.db2.gz SUIWSHNMNKODNP-PSASIEDQSA-N 1 0 235.287 0.657 10 0 BCAERO Cc1cc(Cl)nc([S@@](=O)[C@@H]2CC[NH2+]C2)n1 ZINC000095069384 178072662 /nfs/dbraw/zinc/07/26/62/178072662.db2.gz XRJHCMSYATZNTC-KWKYVRJSSA-N 1 0 245.735 0.908 10 0 BCAERO CN(Cc1ncc[nH]1)C(=O)CC[C@H]1CCC[NH2+]1 ZINC000380106241 398186261 /nfs/dbraw/zinc/18/62/61/398186261.db2.gz JTBXQEZJLZIIAD-SNVBAGLBSA-N 1 0 236.319 0.900 10 0 BCAERO Cc1cc(F)cc(C(=O)NC2C[NH2+]C2)c1 ZINC000125305721 178077194 /nfs/dbraw/zinc/07/71/94/178077194.db2.gz DVWPRBCXTTZLAI-UHFFFAOYSA-N 1 0 208.236 0.836 10 0 BCAERO Cc1nc[nH]c1CNC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000380225452 398191466 /nfs/dbraw/zinc/19/14/66/398191466.db2.gz NZKWIKVYOODRHC-VHSXEESVSA-N 1 0 236.319 0.709 10 0 BCAERO Cc1cc(N2CC[C@@H](C[NH3+])C2)nc(C)n1 ZINC000050249509 178117880 /nfs/dbraw/zinc/11/78/80/178117880.db2.gz SXHVOURNACIKBT-JTQLQIEISA-N 1 0 206.293 0.878 10 0 BCAERO CC[C@H]1C[NH2+]C[C@@H]1N1CCS(=O)CC1 ZINC000161031432 398203872 /nfs/dbraw/zinc/20/38/72/398203872.db2.gz XWUNEDSXWGPNIV-UWVGGRQHSA-N 1 0 216.350 0.049 10 0 BCAERO CN1CCC[C@H]1C[N@@H+]1CCC[C@](C)(O)C1 ZINC000386309327 398204307 /nfs/dbraw/zinc/20/43/07/398204307.db2.gz LSGANRNVVJAHKD-RYUDHWBXSA-N 1 0 212.337 0.927 10 0 BCAERO Nc1ncccc1[C@H]1CCCN(CC[NH3+])C1 ZINC000616622027 398206898 /nfs/dbraw/zinc/20/68/98/398206898.db2.gz YKIGAFWGRWVNCJ-JTQLQIEISA-N 1 0 220.320 0.802 10 0 BCAERO CC(C)(C)OC(=O)N1C[C@H]2COC[C@@H](C1)[C@H]2[NH3+] ZINC000261508270 398208869 /nfs/dbraw/zinc/20/88/69/398208869.db2.gz QYBPHULJRAEWEO-ILWJIGKKSA-N 1 0 242.319 0.827 10 0 BCAERO Cc1cc(NCC2([NH3+])CCC2)n2ncnc2n1 ZINC000235994653 178156999 /nfs/dbraw/zinc/15/69/99/178156999.db2.gz MQSNFHUONKARLJ-UHFFFAOYSA-N 1 0 232.291 0.726 10 0 BCAERO COC[C@@H](C)C[NH2+][C@H]1CCCNC1=O ZINC000163331721 538928142 /nfs/dbraw/zinc/92/81/42/538928142.db2.gz SHSNCXVZKHPUPM-IUCAKERBSA-N 1 0 200.282 0.137 10 0 BCAERO C[C@H](CC(N)=O)[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000336758031 398212719 /nfs/dbraw/zinc/21/27/19/398212719.db2.gz KHZDCGNRDOSJBJ-BBBLOLIVSA-N 1 0 214.309 0.391 10 0 BCAERO [NH3+]CC(=O)Nc1cncc(Br)c1 ZINC000300765177 398213146 /nfs/dbraw/zinc/21/31/46/398213146.db2.gz OEDSWPSWDNRHHG-UHFFFAOYSA-N 1 0 230.065 0.741 10 0 BCAERO C[C@@H]1OCC[C@@H]1[S@@](=O)C1CC[NH2+]CC1 ZINC000306578940 398213190 /nfs/dbraw/zinc/21/31/90/398213190.db2.gz MWFPFCXOPMUELO-BXGCZWRVSA-N 1 0 217.334 0.665 10 0 BCAERO Cc1cc(NC(=O)[C@H]2CCC[C@H]2[NH3+])n(C)n1 ZINC000082920239 136222084 /nfs/dbraw/zinc/22/20/84/136222084.db2.gz QURRAIMUKMCPQT-DTWKUNHWSA-N 1 0 222.292 0.794 10 0 BCAERO CCN(C)C[C@H](O)C[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000381074185 398222972 /nfs/dbraw/zinc/22/29/72/398222972.db2.gz PIAJMDABCUFGRN-QJPTWQEYSA-N 1 0 230.352 0.456 10 0 BCAERO CCN(C)C[C@H](O)C[NH2+][C@H](C)[C@H]1CCCO1 ZINC000381074182 398223272 /nfs/dbraw/zinc/22/32/72/398223272.db2.gz PIAJMDABCUFGRN-IJLUTSLNSA-N 1 0 230.352 0.456 10 0 BCAERO O=C(NCCc1ccccc1F)C1C[NH2+]C1 ZINC000084408203 136222583 /nfs/dbraw/zinc/22/25/83/136222583.db2.gz YNYMHJYBQMKJRW-UHFFFAOYSA-N 1 0 222.263 0.704 10 0 BCAERO CCC(CC)C[N@@H+]1CCC[C@](O)(C(N)=O)C1 ZINC000367488354 168352291 /nfs/dbraw/zinc/35/22/91/168352291.db2.gz ADUGOOKCOUICRF-GFCCVEGCSA-N 1 0 228.336 0.735 10 0 BCAERO Cc1cc(OC[C@@H]2CCCC[NH2+]2)n2ncnc2n1 ZINC000051883291 178211933 /nfs/dbraw/zinc/21/19/33/178211933.db2.gz XAPVKVBZCNVBGE-JTQLQIEISA-N 1 0 247.302 0.954 10 0 BCAERO O=C1NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2N1 ZINC000306121858 136225627 /nfs/dbraw/zinc/22/56/27/136225627.db2.gz MKRRMQOMXHPBQZ-MNOVXSKESA-N 1 0 245.282 0.326 10 0 BCAERO Cc1ncsc1CN1C[C@@H]([NH3+])CC1=O ZINC000070837428 361781646 /nfs/dbraw/zinc/78/16/46/361781646.db2.gz IAGOFKGQRBINBX-ZETCQYMHSA-N 1 0 211.290 0.511 10 0 BCAERO C[C@@H]([NH2+][C@@H]1CCO[C@@H]1C)c1nncn1C ZINC000227838130 259303887 /nfs/dbraw/zinc/30/38/87/259303887.db2.gz HNVVIIXEXHJQFU-IWSPIJDZSA-N 1 0 210.281 0.643 10 0 BCAERO CC[C@H](C)[C@@H]([NH3+])C(=O)NCCCn1cncn1 ZINC000381218519 398235963 /nfs/dbraw/zinc/23/59/63/398235963.db2.gz YYEUWJHBKORBDM-VHSXEESVSA-N 1 0 239.323 0.158 10 0 BCAERO CC[NH+](CC)C[C@H](O)Cn1ccc(N)n1 ZINC000165904790 538938202 /nfs/dbraw/zinc/93/82/02/538938202.db2.gz KWLGHFSZHDLPPK-VIFPVBQESA-N 1 0 212.297 0.168 10 0 BCAERO CC(C)n1cc(O[C@H]2C[NH2+]C[C@H]2O)cn1 ZINC000167367415 538941294 /nfs/dbraw/zinc/94/12/94/538941294.db2.gz IBPYWLDOOULMNX-ZJUUUORDSA-N 1 0 211.265 0.176 10 0 BCAERO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)c1ccn(C)c(=O)c1 ZINC000193639466 136228841 /nfs/dbraw/zinc/22/88/41/136228841.db2.gz AFKFKVLVYXYFKX-KOLCDFICSA-N 1 0 249.314 0.256 10 0 BCAERO C[C@H]1C[C@H](CNC(=O)[C@H]2CC[NH2+]C2)CCO1 ZINC000576581904 365630183 /nfs/dbraw/zinc/63/01/83/365630183.db2.gz OATUCAWQUJIJMX-AXFHLTTASA-N 1 0 226.320 0.527 10 0 BCAERO Cc1cc2ncc(C[NH2+]CCCC(N)=O)cn2n1 ZINC000070166049 178304160 /nfs/dbraw/zinc/30/41/60/178304160.db2.gz BBIGNUSOYWMIEB-UHFFFAOYSA-N 1 0 247.302 0.393 10 0 BCAERO CC1(C)CCC[NH2+][C@H]1C(=O)NC[C@H]1CCOC1 ZINC000232937550 136230078 /nfs/dbraw/zinc/23/00/78/136230078.db2.gz JOWQLBMXMRONGK-MNOVXSKESA-N 1 0 240.347 0.917 10 0 BCAERO Cc1ccc(=O)n(CC[NH2+]C[C@@H]2CCCO2)n1 ZINC000061811110 178361019 /nfs/dbraw/zinc/36/10/19/178361019.db2.gz DLOWPGRKJGZCSF-NSHDSACASA-N 1 0 237.303 0.320 10 0 BCAERO Cc1ccc(=O)n(CC[C@@H]2CCC[NH2+]C2)n1 ZINC000061810550 178361056 /nfs/dbraw/zinc/36/10/56/178361056.db2.gz IWXHKYJVRDMHHF-NSHDSACASA-N 1 0 221.304 0.941 10 0 BCAERO CCC(CC)N(CC[NH3+])C(=O)[C@H]1COCCO1 ZINC000104303097 168372053 /nfs/dbraw/zinc/37/20/53/168372053.db2.gz CSKOAHLOBXFJGQ-LLVKDONJSA-N 1 0 244.335 0.378 10 0 BCAERO CCCCOC[C@H](O)C[N@H+]1C[C@@H](CC)[C@H](O)C1 ZINC000400024535 398259881 /nfs/dbraw/zinc/25/98/81/398259881.db2.gz DYCFFENJUOFLAY-JHJVBQTASA-N 1 0 245.363 0.867 10 0 BCAERO C[C@@H]1C[C@H](NC(=O)C2([NH3+])CCOCC2)[C@@H](C)O1 ZINC000384906583 398260520 /nfs/dbraw/zinc/26/05/20/398260520.db2.gz ODRYJEGFFWHZBV-BBBLOLIVSA-N 1 0 242.319 0.176 10 0 BCAERO C[C@@H]1[C@H](O)CCC[N@@H+]1C[C@@H]1CCCN1C ZINC000386318585 398264627 /nfs/dbraw/zinc/26/46/27/398264627.db2.gz NEBDQZOAFIZQGK-GRYCIOLGSA-N 1 0 212.337 0.926 10 0 BCAERO CCC(CC)N(CCO)C(=O)C1CC[NH2+]CC1 ZINC000042526151 168372386 /nfs/dbraw/zinc/37/23/86/168372386.db2.gz SQAGEGZIZGLJNK-UHFFFAOYSA-N 1 0 242.363 0.996 10 0 BCAERO CN1CCC[C@H]1C[N@@H+]1CC[C@@H](CCO)C1 ZINC000386340647 398264943 /nfs/dbraw/zinc/26/49/43/398264943.db2.gz RSIKJLZHGIWZAF-RYUDHWBXSA-N 1 0 212.337 0.785 10 0 BCAERO OC[C@@H]1C[C@H]1[NH2+]Cc1cccc2nccn21 ZINC000378771619 346828274 /nfs/dbraw/zinc/82/82/74/346828274.db2.gz GAFMKZAUSMJJOB-GXSJLCMTSA-N 1 0 217.272 0.805 10 0 BCAERO COCCC[NH2+]Cc1cnc2ccnn2c1 ZINC000381764044 346840638 /nfs/dbraw/zinc/84/06/38/346840638.db2.gz USCRYKKQDBFIEG-UHFFFAOYSA-N 1 0 220.276 0.855 10 0 BCAERO Nc1cccc([C@H]2CC[N@H+](CCO)C2)n1 ZINC000616612993 349594427 /nfs/dbraw/zinc/59/44/27/349594427.db2.gz GAZZSNFBRIOQMI-VIFPVBQESA-N 1 0 207.277 0.445 10 0 BCAERO C[C@H]1CN(C(=O)[C@@H]2[NH2+]CC2(C)C)CCS1 ZINC000381814801 398273689 /nfs/dbraw/zinc/27/36/89/398273689.db2.gz IXHKXBOFGRAOGI-IUCAKERBSA-N 1 0 228.361 0.948 10 0 BCAERO [NH3+][C@H]1C[C@@H]1NC(=O)c1[nH]ncc1Br ZINC000306651441 361856099 /nfs/dbraw/zinc/85/60/99/361856099.db2.gz SHDSVURPHHUYBQ-WHFBIAKZSA-N 1 0 245.080 0.002 10 0 BCAERO [NH3+][C@@H]1C[C@@H]1NC(=O)c1[nH]ncc1Br ZINC000306651440 361856486 /nfs/dbraw/zinc/85/64/86/361856486.db2.gz SHDSVURPHHUYBQ-UHNVWZDZSA-N 1 0 245.080 0.002 10 0 BCAERO C[C@@H]([NH3+])CNC(=O)c1[nH]ncc1Br ZINC000306653497 361860161 /nfs/dbraw/zinc/86/01/61/361860161.db2.gz GWVOZVCBENOYSQ-SCSAIBSYSA-N 1 0 247.096 0.249 10 0 BCAERO CC[S@](=O)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000306657110 361867014 /nfs/dbraw/zinc/86/70/14/361867014.db2.gz JMTPVULFRDWCBB-OQPBUACISA-N 1 0 204.339 0.729 10 0 BCAERO OCCN1CCC[C@@H]([NH2+]Cc2cscn2)C1 ZINC000309594641 342729566 /nfs/dbraw/zinc/72/95/66/342729566.db2.gz UDMYJDMYZYKOJQ-SNVBAGLBSA-N 1 0 241.360 0.689 10 0 BCAERO C[C@@H]1CCN(C(=O)[C@@H]2CSCC[NH2+]2)C1 ZINC000126842344 342733300 /nfs/dbraw/zinc/73/33/00/342733300.db2.gz XFUPFEIOUXMFPH-BDAKNGLRSA-N 1 0 214.334 0.560 10 0 BCAERO CSCC(=O)N1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000602593800 349616414 /nfs/dbraw/zinc/61/64/14/349616414.db2.gz NEJYXTYKBXMCIC-SFYZADRCSA-N 1 0 202.323 0.403 10 0 BCAERO OC[C@@H]1CC[C@](O)(c2ccccc2)C[NH2+]1 ZINC000146033147 342765084 /nfs/dbraw/zinc/76/50/84/342765084.db2.gz XIYYHWXYEUFVGL-NWDGAFQWSA-N 1 0 207.273 0.619 10 0 BCAERO CCN(C)C(=O)CC[NH2+][C@@H](C(=O)NC)C(C)C ZINC000183665710 538967712 /nfs/dbraw/zinc/96/77/12/538967712.db2.gz RLWYKRWOAAZCMG-LLVKDONJSA-N 1 0 243.351 0.215 10 0 BCAERO C[N@@H+]1CC[C@@H](N2C(=O)c3ccccc3C2=O)C1 ZINC000146890244 342773009 /nfs/dbraw/zinc/77/30/09/342773009.db2.gz LTYAOFAWBZSFJA-SECBINFHSA-N 1 0 230.267 0.987 10 0 BCAERO [NH3+][C@H]1CC[C@H](C(=O)Nc2cncnc2)C1 ZINC000232088586 342777696 /nfs/dbraw/zinc/77/76/96/342777696.db2.gz TZHIRLJBLLFFCY-YUMQZZPRSA-N 1 0 206.249 0.543 10 0 BCAERO COC(=O)C1(N)CC[NH+](CC2CC2)CC1 ZINC000008698584 342802150 /nfs/dbraw/zinc/80/21/50/342802150.db2.gz JMMNIVBCZRDIGK-UHFFFAOYSA-N 1 0 212.293 0.363 10 0 BCAERO C[C@@H]1CN(C(=O)c2ccc3n[nH]cc3c2)C[C@H]1[NH3+] ZINC000335618430 136237908 /nfs/dbraw/zinc/23/79/08/136237908.db2.gz PPELEVOURQELFE-LDYMZIIASA-N 1 0 244.298 0.982 10 0 BCAERO COC[C@@H](C)[NH2+]CC(=O)N[C@@H](C)C(C)C ZINC000042222930 538977274 /nfs/dbraw/zinc/97/72/74/538977274.db2.gz XKAKBWYYVDJPOD-ZJUUUORDSA-N 1 0 216.325 0.772 10 0 BCAERO OCCN1CCC([NH2+]Cc2cncs2)CC1 ZINC000379467701 538977612 /nfs/dbraw/zinc/97/76/12/538977612.db2.gz YUMJBTMRKKTJFO-UHFFFAOYSA-N 1 0 241.360 0.689 10 0 BCAERO CC(C)[C@@H]1C[C@H]([NH2+][C@H]2CCOC[C@@H]2O)CCO1 ZINC000623767103 398288424 /nfs/dbraw/zinc/28/84/24/398288424.db2.gz PYGBCBSCJNEAQQ-VOAKCMCISA-N 1 0 243.347 0.929 10 0 BCAERO CC(C)[C@@H]1C[C@H]([NH2+][C@H]2CCOC[C@H]2O)CCO1 ZINC000623767104 398288543 /nfs/dbraw/zinc/28/85/43/398288543.db2.gz PYGBCBSCJNEAQQ-XQHKEYJVSA-N 1 0 243.347 0.929 10 0 BCAERO Cc1nc([C@H]2NC(=O)CC[C@H]2[NH3+])cs1 ZINC000126969608 342807804 /nfs/dbraw/zinc/80/78/04/342807804.db2.gz FAJMOPKZMOSKJL-MUWHJKNJSA-N 1 0 211.290 0.730 10 0 BCAERO CN1C[C@@H]([NH2+][C@@H]2CCCC[C@H]2O)CC1=O ZINC000378950944 346864481 /nfs/dbraw/zinc/86/44/81/346864481.db2.gz HIDFCGLHOZMGHL-IVZWLZJFSA-N 1 0 212.293 0.110 10 0 BCAERO CC[C@H](C)[C@@H]([NH3+])C(=O)N[C@H]1CC(=O)N(CC)C1 ZINC000391726137 398292668 /nfs/dbraw/zinc/29/26/68/398292668.db2.gz MFDREBHRMFMFIX-ATZCPNFKSA-N 1 0 241.335 0.097 10 0 BCAERO CN(C)C(=O)C[NH2+][C@H]1CCC[C@@]1(C)CO ZINC000382364834 361924896 /nfs/dbraw/zinc/92/48/96/361924896.db2.gz UJKHLJLVEAQSNO-ONGXEEELSA-N 1 0 214.309 0.215 10 0 BCAERO OCCN1CCC([NH2+]C[C@H]2CCSC2)CC1 ZINC000381565212 539003481 /nfs/dbraw/zinc/00/34/81/539003481.db2.gz SZUYNOWEWIBLSZ-LLVKDONJSA-N 1 0 244.404 0.786 10 0 BCAERO OCCN1CCC([NH2+]C[C@@H]2CCSC2)CC1 ZINC000381565213 539003789 /nfs/dbraw/zinc/00/37/89/539003789.db2.gz SZUYNOWEWIBLSZ-NSHDSACASA-N 1 0 244.404 0.786 10 0 BCAERO C[C@H]1OCC[C@@]1(C[NH3+])N1CCSCC1 ZINC000134405482 342837759 /nfs/dbraw/zinc/83/77/59/342837759.db2.gz BPPICVYOSSFUFD-ZJUUUORDSA-N 1 0 216.350 0.542 10 0 BCAERO CCCS(=O)(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000382488691 539009557 /nfs/dbraw/zinc/00/95/57/539009557.db2.gz HJZUSVWGVDYRIW-BDAKNGLRSA-N 1 0 220.338 0.443 10 0 BCAERO CC(C)S(=O)(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000382541127 539009979 /nfs/dbraw/zinc/00/99/79/539009979.db2.gz YEHFDOJACXBBMT-BDAKNGLRSA-N 1 0 220.338 0.442 10 0 BCAERO CC(C)S(=O)(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000382541152 539010054 /nfs/dbraw/zinc/01/00/54/539010054.db2.gz YEHFDOJACXBBMT-IUCAKERBSA-N 1 0 220.338 0.442 10 0 BCAERO CC(C)[N@H+]1C[C@H]2CCC[C@@H](C1)C2S(N)(=O)=O ZINC000050349877 539011013 /nfs/dbraw/zinc/01/10/13/539011013.db2.gz QSSWZOJYBKKKAP-ZACCUICWSA-N 1 0 246.376 0.784 10 0 BCAERO CC[C@@H](COC)[NH2+]C1CCN(CCO)CC1 ZINC000381409966 539000388 /nfs/dbraw/zinc/00/03/88/539000388.db2.gz UFJSNEUSQQWQKV-NSHDSACASA-N 1 0 230.352 0.458 10 0 BCAERO C[C@@H](NC[C@@H]1CCC[N@@H+]1C)c1ncn(C)n1 ZINC000391960657 398299505 /nfs/dbraw/zinc/29/95/05/398299505.db2.gz MDESYISZMISTRA-ZJUUUORDSA-N 1 0 223.324 0.560 10 0 BCAERO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C1CCOCC1)C2 ZINC000709836512 539027572 /nfs/dbraw/zinc/02/75/72/539027572.db2.gz OGRNKZYZZRROQO-DLOVCJGASA-N 1 0 238.331 0.751 10 0 BCAERO CCC[NH2+][C@H](C(N)=O)[C@@H](C)n1cccn1 ZINC000710719815 539028148 /nfs/dbraw/zinc/02/81/48/539028148.db2.gz PNFBXUOUIYLVPG-BDAKNGLRSA-N 1 0 210.281 0.298 10 0 BCAERO CC1(C)CN(C(=O)[C@@H]2CCOC2)C[C@@H]1[NH3+] ZINC000388060861 539014530 /nfs/dbraw/zinc/01/45/30/539014530.db2.gz LYMQFEBKVNDGIZ-BDAKNGLRSA-N 1 0 212.293 0.219 10 0 BCAERO CC1(C)CN(C(=O)C2CCOCC2)C[C@@H]1[NH3+] ZINC000387951820 539014641 /nfs/dbraw/zinc/01/46/41/539014641.db2.gz CRYKRDZHWJPPJT-JTQLQIEISA-N 1 0 226.320 0.609 10 0 BCAERO C[NH+](C)CC(=O)NC[C@H]1CCCC[NH2+]C1 ZINC000389753232 539017168 /nfs/dbraw/zinc/01/71/68/539017168.db2.gz ZQOYJNCBPJVACL-JTQLQIEISA-N 1 0 213.325 0.054 10 0 BCAERO CNC(=O)[C@H]([NH2+]Cc1cn[nH]c1)C(C)C ZINC000389908738 539018273 /nfs/dbraw/zinc/01/82/73/539018273.db2.gz IMSLBLQWLLJQPB-SECBINFHSA-N 1 0 210.281 0.270 10 0 BCAERO CCN1CCO[C@@H](C[NH2+]Cc2cncn2C)C1 ZINC000134435314 342854200 /nfs/dbraw/zinc/85/42/00/342854200.db2.gz QRZZTACQNXNPEX-LBPRGKRZSA-N 1 0 238.335 0.230 10 0 BCAERO CC[C@](C)([NH3+])C(=O)N[C@H]1CCO[C@@H]1C ZINC000134549947 342864578 /nfs/dbraw/zinc/86/45/78/342864578.db2.gz GMJAPRNJUCQGPA-WEDXCCLWSA-N 1 0 200.282 0.407 10 0 BCAERO C[NH2+][C@@H]1CSC[C@@H]1[C@@H]1CCS(=O)(=O)C1 ZINC000134591764 342871451 /nfs/dbraw/zinc/87/14/51/342871451.db2.gz MCBNNVNQSSEPGT-IWSPIJDZSA-N 1 0 235.374 0.372 10 0 BCAERO [NH3+]C[C@H](CO)c1ccncc1Br ZINC000165051516 342872167 /nfs/dbraw/zinc/87/21/67/342872167.db2.gz SUWXJEPDTWTFKM-ZCFIWIBFSA-N 1 0 231.093 0.879 10 0 BCAERO C[C@@H]1CN(C(=O)/C=C\C[NH3+])C[C@@H](C)S1 ZINC000308599104 342857403 /nfs/dbraw/zinc/85/74/03/342857403.db2.gz UDBTUJURSUZEFK-UREXNXCXSA-N 1 0 214.334 0.854 10 0 BCAERO CCCCn1nnnc1CN1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000233066550 342894986 /nfs/dbraw/zinc/89/49/86/342894986.db2.gz SVHMWZZAECQXSS-ZJUUUORDSA-N 1 0 238.339 0.252 10 0 BCAERO Cc1ccc(C(N)=O)c(O[C@H]2CC[NH2+]C2)c1 ZINC000051868605 178458087 /nfs/dbraw/zinc/45/80/87/178458087.db2.gz LFIWUEOBYZEWPB-VIFPVBQESA-N 1 0 220.272 0.835 10 0 BCAERO CCN1CCC[C@H]([NH2+]Cc2cn[nH]c2)C1 ZINC000309065963 342884814 /nfs/dbraw/zinc/88/48/14/342884814.db2.gz ZLBRKFTUUGWUFP-NSHDSACASA-N 1 0 208.309 0.984 10 0 BCAERO CCN1CCC[C@@H]([NH2+]Cc2cn[nH]c2)C1 ZINC000309065962 342884929 /nfs/dbraw/zinc/88/49/29/342884929.db2.gz ZLBRKFTUUGWUFP-LLVKDONJSA-N 1 0 208.309 0.984 10 0 BCAERO COCc1noc([C@@H]2CSC[C@@H]2[NH3+])n1 ZINC000134815976 342893552 /nfs/dbraw/zinc/89/35/52/342893552.db2.gz AIGDTXFIXYDIIV-RITPCOANSA-N 1 0 215.278 0.374 10 0 BCAERO C[C@@H]([NH3+])Cc1csc(-c2nc[nH]n2)n1 ZINC000165318058 342906540 /nfs/dbraw/zinc/90/65/40/342906540.db2.gz VOCXHUKOWZTXML-RXMQYKEDSA-N 1 0 209.278 0.818 10 0 BCAERO CC[C@@H](CCO)CNC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000233869769 342913317 /nfs/dbraw/zinc/91/33/17/342913317.db2.gz GCLSEROEEWSPSQ-OUAUKWLOSA-N 1 0 228.336 0.367 10 0 BCAERO C[NH2+]C[C@@H](C)C(=O)NCCn1cc(C)cn1 ZINC000234369772 342921730 /nfs/dbraw/zinc/92/17/30/342921730.db2.gz NELFVCKAYFHGGH-SNVBAGLBSA-N 1 0 224.308 0.163 10 0 BCAERO C[NH2+][C@@H](C)C(=O)N1CCC([C@H](C)O)CC1 ZINC000234420763 342924821 /nfs/dbraw/zinc/92/48/21/342924821.db2.gz JTNHEWGYMJVBOD-IUCAKERBSA-N 1 0 214.309 0.214 10 0 BCAERO C[NH2+][C@H](C)C(=O)N1CCC([C@@H](C)O)CC1 ZINC000234425899 342925264 /nfs/dbraw/zinc/92/52/64/342925264.db2.gz JTNHEWGYMJVBOD-RKDXNWHRSA-N 1 0 214.309 0.214 10 0 BCAERO C[C@@H]1SCC[C@H]1NC(=O)/C=C/C[NH3+] ZINC000306789652 398326013 /nfs/dbraw/zinc/32/60/13/398326013.db2.gz UDDHVSCCWISODG-RIAPOHOLSA-N 1 0 200.307 0.512 10 0 BCAERO CS[C@@H]1C[NH2+]C[C@@H]1N1CCOCC1 ZINC000134889472 342918136 /nfs/dbraw/zinc/91/81/36/342918136.db2.gz YHDLCYUKDLSEBZ-DTWKUNHWSA-N 1 0 202.323 0.022 10 0 BCAERO C[NH+](C)[C@H]1CCN(c2ccncc2C(N)=O)C1 ZINC000302126704 398325115 /nfs/dbraw/zinc/32/51/15/398325115.db2.gz ARZLPXHTNKBEIA-VIFPVBQESA-N 1 0 234.303 0.321 10 0 BCAERO O[C@@H]1CCCC[C@H]1[NH2+][C@@H]1COCC[C@H]1O ZINC000634729301 344010711 /nfs/dbraw/zinc/01/07/11/344010711.db2.gz DWOHDYKMXCFNRD-GWOFURMSSA-N 1 0 215.293 0.029 10 0 BCAERO C[C@H]([NH3+])CC(=O)N[C@@H](C)[C@@H]1CCCO1 ZINC000037476262 398327579 /nfs/dbraw/zinc/32/75/79/398327579.db2.gz DCLQYKXGXZOPJF-CIUDSAMLSA-N 1 0 200.282 0.407 10 0 BCAERO O=C(C[NH2+]C1CC1)N[C@@H]1CCC[C@@H](O)C1 ZINC000037477032 398327652 /nfs/dbraw/zinc/32/76/52/398327652.db2.gz OKUHIZZYDZXHRW-NXEZZACHSA-N 1 0 212.293 0.158 10 0 BCAERO COC[C@H](C)NC(=O)CC[NH2+]C(C)C ZINC000037480067 398328344 /nfs/dbraw/zinc/32/83/44/398328344.db2.gz WZTJLUOGWIFOGD-VIFPVBQESA-N 1 0 202.298 0.526 10 0 BCAERO CC(C)[NH2+]CCC(=O)N[C@H]1CCC[C@H](O)C1 ZINC000037480249 398328432 /nfs/dbraw/zinc/32/84/32/398328432.db2.gz SVOIUMGUOUJWSU-QWRGUYRKSA-N 1 0 228.336 0.794 10 0 BCAERO CCCC(=O)N1CC[N@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000174312879 346880373 /nfs/dbraw/zinc/88/03/73/346880373.db2.gz CNAIPALQKKLYLJ-GHMZBOCLSA-N 1 0 228.336 0.700 10 0 BCAERO CC(C)OC[C@@H](O)C[NH2+]CC[C@@H]1CCCO1 ZINC000038096708 398335984 /nfs/dbraw/zinc/33/59/84/398335984.db2.gz VGOHCNUEGMULAD-RYUDHWBXSA-N 1 0 231.336 0.931 10 0 BCAERO CC(C)C(=O)N1CC[C@@H]2COCC[N@H+](C)[C@@H]2C1 ZINC000257183294 398333418 /nfs/dbraw/zinc/33/34/18/398333418.db2.gz RGLIVBWMVYNROZ-VXGBXAGGSA-N 1 0 240.347 0.822 10 0 BCAERO C[C@]1(CNC(=O)[C@@H]2CC[C@@H]([NH3+])C2)CCCO1 ZINC000227484525 398340049 /nfs/dbraw/zinc/34/00/49/398340049.db2.gz ZMVQXNOZOPWCRG-CKYFFXLPSA-N 1 0 226.320 0.799 10 0 BCAERO COC[C@H]([NH3+])C(=O)N1C[C@H](C)[C@@H](C)C1 ZINC000220191096 342943022 /nfs/dbraw/zinc/94/30/22/342943022.db2.gz NEBNZEMLPJQNMP-CIUDSAMLSA-N 1 0 200.282 0.075 10 0 BCAERO COCCC1(CNC(=O)[C@@H]2CC[NH2+]C2)CC1 ZINC000234815088 342953565 /nfs/dbraw/zinc/95/35/65/342953565.db2.gz HOQFMUWLUHIMHO-SNVBAGLBSA-N 1 0 226.320 0.529 10 0 BCAERO CSC[C@@H](C)Nc1cc(NN)[nH+]cn1 ZINC000128336685 346899389 /nfs/dbraw/zinc/89/93/89/346899389.db2.gz YJAUXUWMEDIUJZ-ZCFIWIBFSA-N 1 0 213.310 0.926 10 0 BCAERO CO[C@]1(C[NH2+]C[C@@H](O)C(C)(C)C)CCOC1 ZINC000304196215 259334338 /nfs/dbraw/zinc/33/43/38/259334338.db2.gz BIQSNJUSHHNOPO-PWSUYJOCSA-N 1 0 231.336 0.789 10 0 BCAERO CC(=O)NCC[NH2+]Cc1cccc(O)c1 ZINC000020184879 342975236 /nfs/dbraw/zinc/97/52/36/342975236.db2.gz ZYSWWLMQJHGGKU-UHFFFAOYSA-N 1 0 208.261 0.618 10 0 BCAERO C[C@@H]1CN(C(=O)CC[C@H]2CCCO2)C[C@@H]1[NH3+] ZINC000235326747 343010385 /nfs/dbraw/zinc/01/03/85/343010385.db2.gz RJTMMUYFNRZPPR-MXWKQRLJSA-N 1 0 226.320 0.751 10 0 BCAERO C[C@@H](O)C1CCN(C(=O)CC[NH2+]C2CC2)CC1 ZINC000235258550 342999837 /nfs/dbraw/zinc/99/98/37/342999837.db2.gz SWZNLIDYCKTFGN-SNVBAGLBSA-N 1 0 240.347 0.748 10 0 BCAERO Cc1ccc(C(=O)N2C[C@@H](C)[C@@H]([NH3+])C2)c(=O)[nH]1 ZINC000235340387 343010786 /nfs/dbraw/zinc/01/07/86/343010786.db2.gz RKFLDMGLGFCWSB-XCBNKYQSSA-N 1 0 235.287 0.103 10 0 BCAERO C[C@@H]1CN(C(=O)[C@H]2COc3ccccc32)C[C@@H]1[NH3+] ZINC000235361422 343010839 /nfs/dbraw/zinc/01/08/39/343010839.db2.gz XFYOMMXJVRRBDW-USWWRNFRSA-N 1 0 246.310 0.968 10 0 BCAERO CC(C)SCC(=O)NCC[C@@H](C)[NH3+] ZINC000308587711 259340282 /nfs/dbraw/zinc/34/02/82/259340282.db2.gz SYHMUORRXOZEOD-MRVPVSSYSA-N 1 0 204.339 0.982 10 0 BCAERO CN1CC[C@@H]([NH2+]C[C@@H](O)C(C)(C)C)C1=O ZINC000308797076 259340928 /nfs/dbraw/zinc/34/09/28/259340928.db2.gz KUCBFCGSQVWLGY-RKDXNWHRSA-N 1 0 214.309 0.214 10 0 BCAERO C[C@@H]1C[C@@H](NC(=O)[C@H]2CCC[NH2+]C2)CCO1 ZINC000235374363 343011231 /nfs/dbraw/zinc/01/12/31/343011231.db2.gz IIBCGHJHTGMPIP-VWYCJHECSA-N 1 0 226.320 0.670 10 0 BCAERO C[C@@H]1C[C@@H](NC(=O)[C@@H]2CC[NH2+]C2)CCO1 ZINC000235371831 343011384 /nfs/dbraw/zinc/01/13/84/343011384.db2.gz DXLSTLIYCPLNQV-BBBLOLIVSA-N 1 0 212.293 0.280 10 0 BCAERO CC(C)[C@@H](O)C[NH2+]C[C@@H](O)C(C)(C)C ZINC000308542444 259340222 /nfs/dbraw/zinc/34/02/22/259340222.db2.gz NBXROGHCRKDOQC-VHSXEESVSA-N 1 0 203.326 1.000 10 0 BCAERO C[C@H](CNC(=O)[C@H]1CC[NH2+]C1)c1nccs1 ZINC000235492314 343039925 /nfs/dbraw/zinc/03/99/25/343039925.db2.gz CLXNEUNHBVBXHZ-BDAKNGLRSA-N 1 0 239.344 0.972 10 0 BCAERO O=C(c1cccc(O)c1)N1CCC[NH2+]CC1 ZINC000021961423 343031013 /nfs/dbraw/zinc/03/10/13/343031013.db2.gz HYEYFIJPQQNYCR-UHFFFAOYSA-N 1 0 220.272 0.828 10 0 BCAERO C[C@H]1C[C@@H](NC(=O)[C@@H]2CCCO2)CC[NH2+]1 ZINC000235673850 343055354 /nfs/dbraw/zinc/05/53/54/343055354.db2.gz JSFQPDXXCJQRIK-GUBZILKMSA-N 1 0 212.293 0.422 10 0 BCAERO CC(C)[C@@H]1CN(C(=O)[C@H]2CCC[NH2+]C2)CCO1 ZINC000200169731 346922333 /nfs/dbraw/zinc/92/23/33/346922333.db2.gz IREOVTCQMBXYCC-RYUDHWBXSA-N 1 0 240.347 0.869 10 0 BCAERO Cc1cnn(CCNC(=O)[C@@H]2CC[C@H]([NH3+])C2)c1 ZINC000235940126 343067459 /nfs/dbraw/zinc/06/74/59/343067459.db2.gz CSJRPCMFSZDWDV-MNOVXSKESA-N 1 0 236.319 0.435 10 0 BCAERO COc1cc([C@@H]([NH3+])CO)cc(OC)c1O ZINC000072198191 343068883 /nfs/dbraw/zinc/06/88/83/343068883.db2.gz PEZDPDFYEGBHMK-ZETCQYMHSA-N 1 0 213.233 0.402 10 0 BCAERO COc1cc(O)cc(OC)c1[C@@H]([NH3+])CO ZINC000072198193 343069124 /nfs/dbraw/zinc/06/91/24/343069124.db2.gz WBNXXWXLLXKXAE-ZETCQYMHSA-N 1 0 213.233 0.402 10 0 BCAERO CC[C@@H](C(=O)OC)N1CC[C@H]([NH+](C)C)C1 ZINC000602886506 349794116 /nfs/dbraw/zinc/79/41/16/349794116.db2.gz SFCAURQZZOLYJD-UWVGGRQHSA-N 1 0 214.309 0.574 10 0 BCAERO CC[NH2+]C[C@H](O)C[C@](O)(CC)C1CC1 ZINC000584883073 343085797 /nfs/dbraw/zinc/08/57/97/343085797.db2.gz GHXFCWPKXGDWGZ-GHMZBOCLSA-N 1 0 201.310 0.898 10 0 BCAERO CC[NH2+]C[C@@H](O)C[C@](C)(O)C1CCOCC1 ZINC000584883008 343085931 /nfs/dbraw/zinc/08/59/31/343085931.db2.gz DRDPCGQCFWBNGJ-RYUDHWBXSA-N 1 0 231.336 0.525 10 0 BCAERO C[NH2+]C[C@@H](O)C[C@@](C)(O)C1CCOCC1 ZINC000584883278 343085981 /nfs/dbraw/zinc/08/59/81/343085981.db2.gz KFAROMSSHDDHQE-WDEREUQCSA-N 1 0 217.309 0.134 10 0 BCAERO CC[NH2+]C[C@H](O)C[C@@](C)(O)CC1CC1 ZINC000584883447 343086175 /nfs/dbraw/zinc/08/61/75/343086175.db2.gz NVFSMOVIMLQLKD-MNOVXSKESA-N 1 0 201.310 0.898 10 0 BCAERO CNC(=O)Cn1c(C[NH3+])nc2ccccc21 ZINC000584883351 343086261 /nfs/dbraw/zinc/08/62/61/343086261.db2.gz QRKJIMAJHFVBKN-UHFFFAOYSA-N 1 0 218.260 0.241 10 0 BCAERO C[NH2+]C[C@@H](O)CC(O)(C(C)C)C(C)C ZINC000584883609 343086656 /nfs/dbraw/zinc/08/66/56/343086656.db2.gz WRUMBBZNYNKILS-JTQLQIEISA-N 1 0 203.326 1.000 10 0 BCAERO CC[C@]1(C(=O)OC)NCCc2nc[nH]c21 ZINC000584883876 343087167 /nfs/dbraw/zinc/08/71/67/343087167.db2.gz UNHWGRNJFQXYJJ-JTQLQIEISA-N 1 0 209.249 0.334 10 0 BCAERO CC(=O)NCc1cc(O[C@H]2CC[NH2+]C2)ccn1 ZINC000231341607 343076384 /nfs/dbraw/zinc/07/63/84/343076384.db2.gz BTNSZRMEBRUHKO-LBPRGKRZSA-N 1 0 235.287 0.458 10 0 BCAERO Cc1ccc(C)c(S(=O)(=O)C[C@@H](O)C[NH3+])c1 ZINC000019685692 178493391 /nfs/dbraw/zinc/49/33/91/178493391.db2.gz KUUHMAGTVRZBLO-JTQLQIEISA-N 1 0 243.328 0.397 10 0 BCAERO CC(C)([NH3+])c1cn(C[C@@H]2CCCOC2)nn1 ZINC000640959085 362098950 /nfs/dbraw/zinc/09/89/50/362098950.db2.gz BUAKBHANXLAMKB-VIFPVBQESA-N 1 0 224.308 0.899 10 0 BCAERO CC[C@@H]([NH3+])C(=O)Nc1nccc(Cl)n1 ZINC000233883533 343112619 /nfs/dbraw/zinc/11/26/19/343112619.db2.gz DQPUOIRCNBTKAI-RXMQYKEDSA-N 1 0 214.656 0.806 10 0 BCAERO COC1CC[NH+]([C@H](C)C(N)=S)CC1 ZINC000043514034 343115431 /nfs/dbraw/zinc/11/54/31/343115431.db2.gz VRSWEXLHWDUNMC-SSDOTTSWSA-N 1 0 202.323 0.772 10 0 BCAERO C[C@H](C(N)=S)[N@H+](C)C1CCN(C)CC1 ZINC000043513889 343115776 /nfs/dbraw/zinc/11/57/76/343115776.db2.gz MJRIDPGRAZYPNO-MRVPVSSYSA-N 1 0 215.366 0.687 10 0 BCAERO OCCOCCN1CC[N@@H+]2CCCC[C@H]2C1 ZINC000085502202 136270604 /nfs/dbraw/zinc/27/06/04/136270604.db2.gz IXOMPOWBZXNWGP-LBPRGKRZSA-N 1 0 228.336 0.165 10 0 BCAERO COC(=O)[C@@H]1CCCN(Cc2nncn2C)C1 ZINC000112336131 343128973 /nfs/dbraw/zinc/12/89/73/343128973.db2.gz XMXBOFOCXIVXTA-SECBINFHSA-N 1 0 238.291 0.200 10 0 BCAERO CC[C@@H](C(N)=S)[N@@H+]1CCO[C@H](C)C1 ZINC000043539380 343132240 /nfs/dbraw/zinc/13/22/40/343132240.db2.gz CAMLQZGFKGIPNH-SFYZADRCSA-N 1 0 202.323 0.772 10 0 BCAERO CC[C@H](CCO)CNC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000094955762 343154455 /nfs/dbraw/zinc/15/44/55/343154455.db2.gz XAEXIVDWJAACJT-NEPJUHHUSA-N 1 0 242.363 0.901 10 0 BCAERO CC1(CNC(=O)c2ccccc2CC[NH3+])COC1 ZINC000094722378 343156556 /nfs/dbraw/zinc/15/65/56/343156556.db2.gz YOXLGEZIZKVMOK-UHFFFAOYSA-N 1 0 248.326 0.954 10 0 BCAERO C[C@H]1CN(c2ccc3nccnc3n2)CC[NH2+]1 ZINC000094725903 343156672 /nfs/dbraw/zinc/15/66/72/343156672.db2.gz TZTGHCKLAOXASD-VIFPVBQESA-N 1 0 229.287 0.823 10 0 BCAERO C[C@H]1CSCCN1C(=O)C1([NH3+])CCOCC1 ZINC000149731609 343196550 /nfs/dbraw/zinc/19/65/50/343196550.db2.gz YSRNMPVEMDBRQY-VIFPVBQESA-N 1 0 244.360 0.458 10 0 BCAERO Cc1nnc(NCC2CC[NH2+]CC2)nc1C ZINC000158971546 343201458 /nfs/dbraw/zinc/20/14/58/343201458.db2.gz VXUOJSHJIHPUPQ-UHFFFAOYSA-N 1 0 221.308 0.900 10 0 BCAERO CO[C@H]1C[NH2+][C@@H](C(=O)N[C@@H](C)c2cccnc2)C1 ZINC000160928909 343204166 /nfs/dbraw/zinc/20/41/66/343204166.db2.gz KNMNNWFYWNEMKO-MVWJERBFSA-N 1 0 249.314 0.636 10 0 BCAERO c1ccc2c(c1)C[C@@H](C[NH2+]C1COC1)O2 ZINC000082488144 136276736 /nfs/dbraw/zinc/27/67/36/136276736.db2.gz ANWLJECSMHOFNX-NSHDSACASA-N 1 0 205.257 0.979 10 0 BCAERO COC(=O)c1ccc(NCC[NH3+])nc1C ZINC000133882816 343186388 /nfs/dbraw/zinc/18/63/88/343186388.db2.gz HUICSMVRULKKKC-UHFFFAOYSA-N 1 0 209.249 0.547 10 0 BCAERO CCc1nc(NC(=O)[C@H]([NH3+])COC)sc1C ZINC000088003795 136283106 /nfs/dbraw/zinc/28/31/06/136283106.db2.gz WGJMQPZNBXHFHU-SSDOTTSWSA-N 1 0 243.332 0.926 10 0 BCAERO COC(=O)[C@@H](C)C[NH+]1CCC(C)(O)CC1 ZINC000088022732 136283848 /nfs/dbraw/zinc/28/38/48/136283848.db2.gz CEDIVKWEAKQJOY-VIFPVBQESA-N 1 0 215.293 0.642 10 0 BCAERO [NH3+][C@@H]1COC[C@@H]1C(=O)Cc1cccnc1 ZINC000226611144 343262177 /nfs/dbraw/zinc/26/21/77/343262177.db2.gz VLRRYMVHFMMUIF-VHSXEESVSA-N 1 0 206.245 0.167 10 0 BCAERO C[NH+](C)CCOC(=O)c1cccc(N)c1 ZINC000034145799 343265645 /nfs/dbraw/zinc/26/56/45/343265645.db2.gz FASGLKUAWBYRMU-UHFFFAOYSA-N 1 0 208.261 0.987 10 0 BCAERO COC(=O)CCC[NH2+][C@@H]1CCCC[C@H]1O ZINC000052013636 343281532 /nfs/dbraw/zinc/28/15/32/343281532.db2.gz DJELAPWHBBAERZ-NXEZZACHSA-N 1 0 215.293 0.833 10 0 BCAERO C[C@H]([NH3+])C(=O)Nc1cccc2c[nH]nc21 ZINC000037044393 343332117 /nfs/dbraw/zinc/33/21/17/343332117.db2.gz UATGUSYNRMSNSC-LURJTMIESA-N 1 0 204.233 0.849 10 0 BCAERO CCc1noc(C)c1Cn1cc(C[NH3+])nn1 ZINC000641056098 362167820 /nfs/dbraw/zinc/16/78/20/362167820.db2.gz URADCQPYHPXCMH-UHFFFAOYSA-N 1 0 221.264 0.644 10 0 BCAERO O=c1[nH]cc(C[NH2+]Cc2ccccc2)c(=O)[nH]1 ZINC000035807635 343304998 /nfs/dbraw/zinc/30/49/98/343304998.db2.gz KLBRHONMLXOHOM-UHFFFAOYSA-N 1 0 231.255 0.353 10 0 BCAERO OC[C@H]1OCc2cc(N3CC[NH2+]CC3)ccc21 ZINC000220012413 343362352 /nfs/dbraw/zinc/36/23/52/343362352.db2.gz ITHSUMJTMBTRPV-CYBMUJFWSA-N 1 0 234.299 0.660 10 0 BCAERO CC(C)(C)[C@@H]([NH3+])C(=O)N[C@H]1CCOC1 ZINC000157772181 343363638 /nfs/dbraw/zinc/36/36/38/343363638.db2.gz KTMQVDMQURPQKE-YUMQZZPRSA-N 1 0 200.282 0.265 10 0 BCAERO C[C@H]1C[C@H](C)N(S(=O)(=O)CC[NH3+])C1 ZINC000157777764 343366192 /nfs/dbraw/zinc/36/61/92/343366192.db2.gz SOEFKCBHEQPXNK-YUMQZZPRSA-N 1 0 206.311 0.005 10 0 BCAERO COC(=O)[C@@H]1CN(C)CCN1Cc1ccccc1 ZINC000038893054 343380083 /nfs/dbraw/zinc/38/00/83/343380083.db2.gz ZTZITNFZYUECFT-ZDUSSCGKSA-N 1 0 248.326 0.976 10 0 BCAERO C[NH2+]Cc1ccc(S(N)(=O)=O)cc1 ZINC000037394909 343344873 /nfs/dbraw/zinc/34/48/73/343344873.db2.gz UXHRYVCTAYQFCU-UHFFFAOYSA-N 1 0 200.263 0.053 10 0 BCAERO CC(C)([NH3+])c1cn(CCOCC2CC2)nn1 ZINC000641060559 362170058 /nfs/dbraw/zinc/17/00/58/362170058.db2.gz PJIFLAYGWYGEPQ-UHFFFAOYSA-N 1 0 224.308 0.899 10 0 BCAERO [NH3+][C@H]1CCC2(C[C@H]1OC1COC1)OCCO2 ZINC000165453996 343353120 /nfs/dbraw/zinc/35/31/20/343353120.db2.gz GWRFCUCIHMUQLF-VHSXEESVSA-N 1 0 229.276 0.025 10 0 BCAERO C[C@H]1CN(S(=O)(=O)C2(C)CC2)C[C@@H]1[NH3+] ZINC000335658439 136307485 /nfs/dbraw/zinc/30/74/85/136307485.db2.gz XKUHWSNYTHTKQW-YUMQZZPRSA-N 1 0 218.322 0.148 10 0 BCAERO CC(=O)N1CC[NH2+]C[C@H]1c1ccccc1N ZINC000148105671 343390039 /nfs/dbraw/zinc/39/00/39/343390039.db2.gz DMZCUCJTRQYBGK-LBPRGKRZSA-N 1 0 219.288 0.762 10 0 BCAERO COC[C@H]([NH3+])C(=O)N1CCC2(CCC2)CC1 ZINC000308704136 488215274 /nfs/dbraw/zinc/21/52/74/488215274.db2.gz XHVHOBYMPQKXJC-JTQLQIEISA-N 1 0 226.320 0.753 10 0 BCAERO CC[N@@H+]1CCC[C@H]1CN(C)C[C@@H](C)O ZINC000082462770 343440154 /nfs/dbraw/zinc/44/01/54/343440154.db2.gz VRUUQTNJKZOLCG-MNOVXSKESA-N 1 0 200.326 0.783 10 0 BCAERO CC(C)C[C@@H](CO)[NH2+]C[C@H](O)C(F)(F)F ZINC000082680903 343460217 /nfs/dbraw/zinc/46/02/17/343460217.db2.gz GSJIIHVYQFWXNT-YUMQZZPRSA-N 1 0 229.242 0.906 10 0 BCAERO CCN(CC)C(=O)CN1CCC[C@H]1C[NH3+] ZINC000082595105 343450745 /nfs/dbraw/zinc/45/07/45/343450745.db2.gz IEIFYOMMJRMNHY-JTQLQIEISA-N 1 0 213.325 0.278 10 0 BCAERO Cc1nccc(C[NH2+][C@@H](C)CN2CCCC2=O)n1 ZINC000054790746 136373219 /nfs/dbraw/zinc/37/32/19/136373219.db2.gz ZMVSWLXRCHGJOZ-JTQLQIEISA-N 1 0 248.330 0.886 10 0 BCAERO CC1(C)CN(C(=O)[C@@H]2CCCO2)CC[C@@H]1[NH3+] ZINC000258994863 136374162 /nfs/dbraw/zinc/37/41/62/136374162.db2.gz BPNZVVGPKSUDTA-UWVGGRQHSA-N 1 0 226.320 0.751 10 0 BCAERO [NH3+]CCN1CCOCC[C@H]1c1ncccn1 ZINC000616657320 343531534 /nfs/dbraw/zinc/53/15/34/343531534.db2.gz VYBLUDSDDPNWAA-JTQLQIEISA-N 1 0 222.292 0.199 10 0 BCAERO [NH3+]CCN1CCOC[C@H](c2ccon2)C1 ZINC000616663708 343533332 /nfs/dbraw/zinc/53/33/32/343533332.db2.gz OKVWWWWKDKUKBG-SECBINFHSA-N 1 0 211.265 0.049 10 0 BCAERO O=c1c2ccc(F)cc2nnn1C1CC[NH2+]CC1 ZINC000045796170 343534399 /nfs/dbraw/zinc/53/43/99/343534399.db2.gz OMQFKPZOKXKQMJ-UHFFFAOYSA-N 1 0 248.261 0.855 10 0 BCAERO Cc1nn(C)c(N(C)C)c1C[NH2+]C[C@@H](C)O ZINC000309496951 343620598 /nfs/dbraw/zinc/62/05/98/343620598.db2.gz UBMUFEOBPPRJBS-MRVPVSSYSA-N 1 0 226.324 0.265 10 0 BCAERO O=C(N[C@@H]1CCCC[NH2+]C1)N1CCCC1 ZINC000085961426 343607151 /nfs/dbraw/zinc/60/71/51/343607151.db2.gz OTVVKRODZVGUMT-SNVBAGLBSA-N 1 0 211.309 0.934 10 0 BCAERO COCCC(=O)NC[C@@H]1CC[C@@H]([NH3+])C1 ZINC000227577376 537794280 /nfs/dbraw/zinc/79/42/80/537794280.db2.gz DWOXZZZJGOLVSK-RKDXNWHRSA-N 1 0 200.282 0.267 10 0 BCAERO CCn1nccc1[C@H]1NC(=O)CC[C@H]1[NH3+] ZINC000164980124 259366449 /nfs/dbraw/zinc/36/64/49/259366449.db2.gz JFGHZVHVSATLDV-XCBNKYQSSA-N 1 0 208.265 0.181 10 0 BCAERO CCn1nccc1[C@@H]1NC(=O)CC[C@@H]1[NH3+] ZINC000164980466 259366457 /nfs/dbraw/zinc/36/64/57/259366457.db2.gz JFGHZVHVSATLDV-OIBJUYFYSA-N 1 0 208.265 0.181 10 0 BCAERO CC[N@@H+]1CCC[C@@H]1CN(C)CCCO ZINC000086189601 343614070 /nfs/dbraw/zinc/61/40/70/343614070.db2.gz YBGWQADZHUDRRZ-LLVKDONJSA-N 1 0 200.326 0.785 10 0 BCAERO CCOC(=O)COCC[N@@H+]1CC[C@@H](O)C[C@H]1C ZINC000602930443 349822228 /nfs/dbraw/zinc/82/22/28/349822228.db2.gz LEMRRGUUBPXWND-GHMZBOCLSA-N 1 0 245.319 0.411 10 0 BCAERO OCC[C@@H]1C[NH+]=C2N[C@@H]3CCCC[C@H]3N2C1 ZINC000300017694 537801774 /nfs/dbraw/zinc/80/17/74/537801774.db2.gz RJQZJBGFNAAMQT-GMTAPVOTSA-N 1 0 223.320 0.571 10 0 BCAERO [NH3+]C[C@]1(NCc2ccccc2)CCOC1 ZINC000083764318 343665110 /nfs/dbraw/zinc/66/51/10/343665110.db2.gz WHCQBNRDMASYIG-GFCCVEGCSA-N 1 0 206.289 0.894 10 0 BCAERO COC[C@H]([NH3+])C(=O)N1CCC[C@@H]1C(C)C ZINC000088004807 343687946 /nfs/dbraw/zinc/68/79/46/343687946.db2.gz RVHHYBXWUAEUJN-VHSXEESVSA-N 1 0 214.309 0.607 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000088002404 343689327 /nfs/dbraw/zinc/68/93/27/343689327.db2.gz VNINRLZRLVJQOC-KXUCPTDWSA-N 1 0 214.309 0.465 10 0 BCAERO COC[C@@H]([NH3+])C(=O)NC1CCCCCC1 ZINC000088002597 343689381 /nfs/dbraw/zinc/68/93/81/343689381.db2.gz MLHASJQZQDVXKN-SNVBAGLBSA-N 1 0 214.309 0.799 10 0 BCAERO COC[C@@H]([NH3+])C(=O)Nc1ccc(C)cn1 ZINC000088002518 343689537 /nfs/dbraw/zinc/68/95/37/343689537.db2.gz OPRAVGKBHKWYML-MRVPVSSYSA-N 1 0 209.249 0.302 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N[C@H](C)CO[C@H]1CCOC1 ZINC000262119815 349852882 /nfs/dbraw/zinc/85/28/82/349852882.db2.gz JPTLZPAKKGFOBW-VWYCJHECSA-N 1 0 244.335 0.424 10 0 BCAERO CCOCC(=O)N1C[C@H]([NH+](C)C)[C@@H](C)C1 ZINC000089710128 343748647 /nfs/dbraw/zinc/74/86/47/343748647.db2.gz NDNUOUBHFMROHX-UWVGGRQHSA-N 1 0 214.309 0.431 10 0 BCAERO CCc1nc(CN2C[C@H](O)C[C@@H]2CO)cs1 ZINC000179184050 346976244 /nfs/dbraw/zinc/97/62/44/346976244.db2.gz RATVZNLIPWZGKJ-NXEZZACHSA-N 1 0 242.344 0.633 10 0 BCAERO CCCC(=[NH2+])N[C@@H]1CCS(=O)(=O)C1 ZINC000062988973 349868436 /nfs/dbraw/zinc/86/84/36/349868436.db2.gz FKEATOSFEVXDGO-SSDOTTSWSA-N 1 0 204.295 0.540 10 0 BCAERO CCn1cc(CN(C)C(=O)[C@@H](C)[NH2+]C)cn1 ZINC000570528040 323062430 /nfs/dbraw/zinc/06/24/30/323062430.db2.gz YXFBBUBMPSVHKX-SECBINFHSA-N 1 0 224.308 0.469 10 0 BCAERO CO[C@H](C[NH3+])c1nc2nccnc2s1 ZINC000227296849 343871628 /nfs/dbraw/zinc/87/16/28/343871628.db2.gz WNLBMIMFZSKMPT-RXMQYKEDSA-N 1 0 210.262 0.733 10 0 BCAERO NC(=O)[C@H]1CCN(CC[NH3+])c2ccccc21 ZINC000309565243 343872984 /nfs/dbraw/zinc/87/29/84/343872984.db2.gz QLUVHFZCIDEUNH-JTQLQIEISA-N 1 0 219.288 0.424 10 0 BCAERO CSCCCNC(=O)[C@H]1CCC[C@@H]1[NH3+] ZINC000082921971 133508919 /nfs/dbraw/zinc/50/89/19/133508919.db2.gz XKSUWKUVYXPYIY-IUCAKERBSA-N 1 0 216.350 0.983 10 0 BCAERO CCc1nc(C)cc(N2CCN(C)C[C@@H]2C[NH3+])n1 ZINC000381053289 343914266 /nfs/dbraw/zinc/91/42/66/343914266.db2.gz RXWKPGCXKPGJQH-NSHDSACASA-N 1 0 249.362 0.427 10 0 BCAERO CC(C)[C@H]([NH3+])CN1CCCS1(=O)=O ZINC000070011072 343946179 /nfs/dbraw/zinc/94/61/79/343946179.db2.gz PRMCIJHJSCKMBH-MRVPVSSYSA-N 1 0 206.311 0.005 10 0 BCAERO CC(C)[C@@H]([NH3+])CN1CCCS1(=O)=O ZINC000070011075 343946310 /nfs/dbraw/zinc/94/63/10/343946310.db2.gz PRMCIJHJSCKMBH-QMMMGPOBSA-N 1 0 206.311 0.005 10 0 BCAERO C[C@@H]1C[NH2+]CCN1C(=O)c1cncs1 ZINC000235272675 343947696 /nfs/dbraw/zinc/94/76/96/343947696.db2.gz BEKVSXFFYKZEKW-SSDOTTSWSA-N 1 0 211.290 0.577 10 0 BCAERO CNC1=[NH+]CCN(C(=O)OC(C)(C)C)C1 ZINC000234354598 343947883 /nfs/dbraw/zinc/94/78/83/343947883.db2.gz BDYRHACUFFMVPT-UHFFFAOYSA-N 1 0 213.281 0.855 10 0 BCAERO CC[NH2+]CCCNc1ccnc(N(C)C)n1 ZINC000082924359 362269254 /nfs/dbraw/zinc/26/92/54/362269254.db2.gz VGNJKIKBNLDJFM-UHFFFAOYSA-N 1 0 223.324 0.954 10 0 BCAERO CC(C)(C)[C@@H](O)C[NH2+]CC[C@@H](O)C(F)F ZINC000634726214 343951369 /nfs/dbraw/zinc/95/13/69/343951369.db2.gz NMRXGBBYHALBBY-SFYZADRCSA-N 1 0 225.279 0.999 10 0 BCAERO O[C@H](CC[NH2+][C@@H]1CCCC[C@H]1O)C(F)F ZINC000634726567 343952078 /nfs/dbraw/zinc/95/20/78/343952078.db2.gz WFRIAWIAZKLPOI-IWSPIJDZSA-N 1 0 223.263 0.896 10 0 BCAERO Cn1ccnc1SC[C@@H]1C[NH2+]CCO1 ZINC000070649797 343953597 /nfs/dbraw/zinc/95/35/97/343953597.db2.gz MQLBQWNYZCIDBP-QMMMGPOBSA-N 1 0 213.306 0.501 10 0 BCAERO Cc1ccc(CNS(=O)(=O)CC[NH3+])cc1 ZINC000011584582 178618182 /nfs/dbraw/zinc/61/81/82/178618182.db2.gz ZXSDSQZHXJOUHM-UHFFFAOYSA-N 1 0 228.317 0.373 10 0 BCAERO Cc1nnsc1CN[C@]1(C)CC[NH2+]C1 ZINC000307636373 343956332 /nfs/dbraw/zinc/95/63/32/343956332.db2.gz UKRNRJWHIBFFAP-SECBINFHSA-N 1 0 212.322 0.688 10 0 BCAERO Cc1cnc(N(C)[C@H]2CC[NH2+]C2)nc1C ZINC000107201336 343956905 /nfs/dbraw/zinc/95/69/05/343956905.db2.gz QYVVYFWKJUKXPK-JTQLQIEISA-N 1 0 206.293 0.892 10 0 BCAERO [NH3+][C@H]1CCCC[C@H]1NS(=O)(=O)C1CC1 ZINC000070910104 343957519 /nfs/dbraw/zinc/95/75/19/343957519.db2.gz FPHVGVMTILUUAC-DTWKUNHWSA-N 1 0 218.322 0.338 10 0 BCAERO C[NH2+][C@@H](C)C(=O)Nc1nccc(Cl)n1 ZINC000234382700 343960355 /nfs/dbraw/zinc/96/03/55/343960355.db2.gz QMWBUNWPMWGQTQ-YFKPBYRVSA-N 1 0 214.656 0.676 10 0 BCAERO [NH3+]Cc1cnc(OC2COC2)c(Cl)c1 ZINC000165708551 343965355 /nfs/dbraw/zinc/96/53/55/343965355.db2.gz LJIOMGKYODYYER-UHFFFAOYSA-N 1 0 214.652 0.971 10 0 BCAERO Cc1ccc(C[NH2+][C@@H]2COC[C@H]2O)cn1 ZINC000062053017 178628157 /nfs/dbraw/zinc/62/81/57/178628157.db2.gz ZWOAKNIFPFEZKQ-GHMZBOCLSA-N 1 0 208.261 0.239 10 0 BCAERO COC[C@H](C[NH3+])Oc1ccc(F)cn1 ZINC000215673084 344130815 /nfs/dbraw/zinc/13/08/15/344130815.db2.gz TUXBGZFXTLRCBT-QMMMGPOBSA-N 1 0 200.213 0.573 10 0 BCAERO CCCCOCCCN1CC[C@H]([NH3+])C1=O ZINC000229347378 344142787 /nfs/dbraw/zinc/14/27/87/344142787.db2.gz PXUKOSHQJANFSL-JTQLQIEISA-N 1 0 214.309 0.753 10 0 BCAERO C[C@H](O)CCNC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634738258 344144053 /nfs/dbraw/zinc/14/40/53/344144053.db2.gz LDBRTLPZIGTQEN-NHCYSSNCSA-N 1 0 226.320 0.263 10 0 BCAERO [NH3+][C@@]1(c2csc(CO)n2)CCOC1 ZINC000165854112 344158408 /nfs/dbraw/zinc/15/84/08/344158408.db2.gz YUJQBUBJYFRXTM-QMMMGPOBSA-N 1 0 200.263 0.210 10 0 BCAERO Cn1nccc1CNC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634741784 344163133 /nfs/dbraw/zinc/16/31/33/344163133.db2.gz OUZMNNXIEYIXOZ-GWCFXTLKSA-N 1 0 248.330 0.426 10 0 BCAERO COc1cccc(C(=O)N2CC[NH2+]C[C@@H]2C)n1 ZINC000217845506 344208654 /nfs/dbraw/zinc/20/86/54/344208654.db2.gz PNJPLZRTOSDCMW-VIFPVBQESA-N 1 0 235.287 0.524 10 0 BCAERO CC[C@@H]1CCCC[C@@H]1[NH2+]C(CO)CO ZINC000083691383 344181428 /nfs/dbraw/zinc/18/14/28/344181428.db2.gz MBKDPFWDEKGFCY-KOLCDFICSA-N 1 0 201.310 0.898 10 0 BCAERO COC(=O)/C=C/C(=O)N1CC[C@H]2[NH2+]CCC[C@@H]21 ZINC000616573451 344186698 /nfs/dbraw/zinc/18/66/98/344186698.db2.gz YNPVFPOLCZLQTQ-CFUOYWMPSA-N 1 0 238.287 0.069 10 0 BCAERO C[NH2+][C@H](C)C(=O)N1CCO[C@H](C(F)F)CC1 ZINC000634750838 344201261 /nfs/dbraw/zinc/20/12/61/344201261.db2.gz GKQKBIYBSYAUGI-SFYZADRCSA-N 1 0 236.262 0.477 10 0 BCAERO CC1(C)CN(CC(=O)N2CCCC2)CC[C@@H]1[NH3+] ZINC000310158506 344247274 /nfs/dbraw/zinc/24/72/74/344247274.db2.gz LBTZDYLUXDVQKL-NSHDSACASA-N 1 0 239.363 0.668 10 0 BCAERO C[NH2+][C@H]1CCC2(C[C@@H]1N(C)C1CC1)OCCO2 ZINC000043822788 344257386 /nfs/dbraw/zinc/25/73/86/344257386.db2.gz ZQFVRGNIQXCWBB-RYUDHWBXSA-N 1 0 240.347 0.964 10 0 BCAERO C[C@@H]([NH3+])Cn1cccc(Br)c1=O ZINC000222876419 344271630 /nfs/dbraw/zinc/27/16/30/344271630.db2.gz LZBHGONTMAQZSL-ZCFIWIBFSA-N 1 0 231.093 0.958 10 0 BCAERO COC(=O)CCCN(C)C(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000091539434 344281786 /nfs/dbraw/zinc/28/17/86/344281786.db2.gz JIPMTLMNPLZKHJ-UWVGGRQHSA-N 1 0 242.319 0.525 10 0 BCAERO C[NH2+][C@H](C)CNC(=O)[C@]12CCC[C@H]1OCC2 ZINC000634770425 344284732 /nfs/dbraw/zinc/28/47/32/344284732.db2.gz LBRSBWIIIPSGHS-FOGDFJRCSA-N 1 0 226.320 0.670 10 0 BCAERO O=C(NCc1c[nH]cn1)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634770750 344284777 /nfs/dbraw/zinc/28/47/77/344284777.db2.gz WMYIQXHZAPRNIE-CABZTGNLSA-N 1 0 234.303 0.416 10 0 BCAERO CC(C)[C@@H]([NH3+])CC(=O)N1C[C@@H]2COC[C@@H]2C1 ZINC000634774522 344294234 /nfs/dbraw/zinc/29/42/34/344294234.db2.gz UUZHOAGVAYYVFE-AXFHLTTASA-N 1 0 226.320 0.465 10 0 BCAERO Cc1nnc2c(N3C[C@H]([NH3+])C[C@H]3C)nccn12 ZINC000385085440 344320602 /nfs/dbraw/zinc/32/06/02/344320602.db2.gz HXKAILGWEOQNPL-VXNVDRBHSA-N 1 0 232.291 0.359 10 0 BCAERO C[C@H]1C[C@@H]([NH3+])CN1c1ccc(C(=O)N(C)C)cn1 ZINC000385080681 344320690 /nfs/dbraw/zinc/32/06/90/344320690.db2.gz GQKYWFKUJHUKGI-GXSJLCMTSA-N 1 0 248.330 0.709 10 0 BCAERO C[C@@H]1C[C@@H]([NH2+]CC2(O)CCOCC2)[C@@H](C)O1 ZINC000395259951 362383108 /nfs/dbraw/zinc/38/31/08/362383108.db2.gz VZZPQMQRVYBAST-GMTAPVOTSA-N 1 0 229.320 0.683 10 0 BCAERO Cc1cc(N2C[C@H]([NH3+])C[C@H]2C)n2ncnc2n1 ZINC000385149284 344356523 /nfs/dbraw/zinc/35/65/23/344356523.db2.gz OZXAEMGZQBOADU-RKDXNWHRSA-N 1 0 232.291 0.359 10 0 BCAERO C[C@H]1C[C@H]([NH3+])CN1c1ccc2nccnc2n1 ZINC000385163243 344356759 /nfs/dbraw/zinc/35/67/59/344356759.db2.gz CEDRTRAFVFOZAL-IUCAKERBSA-N 1 0 229.287 0.951 10 0 BCAERO Nc1nc2sccc2c(NCCO)n1 ZINC000236378593 344359236 /nfs/dbraw/zinc/35/92/36/344359236.db2.gz ILLWTZRQSMHQNV-UHFFFAOYSA-N 1 0 210.262 0.678 10 0 BCAERO COC(=O)CCCCN1C[C@H]([NH3+])[C@@H](C)C1 ZINC000600710276 344360809 /nfs/dbraw/zinc/36/08/09/344360809.db2.gz MZXVXJLUHIAZHD-UWVGGRQHSA-N 1 0 214.309 0.609 10 0 BCAERO Cn1nnc(Br)c1[C@H]([NH3+])C1CC1 ZINC000236129398 344300090 /nfs/dbraw/zinc/30/00/90/344300090.db2.gz GOWPMKVEAVDADN-RXMQYKEDSA-N 1 0 231.097 0.987 10 0 BCAERO O=C(C(F)F)N1CCC[C@@H]2C[NH2+]C[C@H]21 ZINC000236131720 344300353 /nfs/dbraw/zinc/30/03/53/344300353.db2.gz UDZVKOTWMVQINS-RNFRBKRXSA-N 1 0 204.220 0.462 10 0 BCAERO O=C(C(F)F)N1CCC[C@@H]2C[NH2+]C[C@@H]21 ZINC000236131706 344300592 /nfs/dbraw/zinc/30/05/92/344300592.db2.gz UDZVKOTWMVQINS-RQJHMYQMSA-N 1 0 204.220 0.462 10 0 BCAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cn[nH]c1 ZINC000092667357 344301259 /nfs/dbraw/zinc/30/12/59/344301259.db2.gz MZUGGLSLXCBZIV-LLVKDONJSA-N 1 0 236.319 0.966 10 0 BCAERO C[C@H](C(=O)N1C[C@@H](C)[C@H]([NH3+])C1)n1cccn1 ZINC000300047097 344380554 /nfs/dbraw/zinc/38/05/54/344380554.db2.gz CNJHPZZOCFRWBL-OPRDCNLKSA-N 1 0 222.292 0.250 10 0 BCAERO CO[C@H]1CN(C(=O)CSC)[C@](C)(C[NH3+])C1 ZINC000600886953 344386420 /nfs/dbraw/zinc/38/64/20/344386420.db2.gz UVYWWHQNDOSLBK-SCZZXKLOSA-N 1 0 232.349 0.314 10 0 BCAERO CCc1nc(C)cc(N2CCO[C@@H]3C[NH2+]C[C@@H]32)n1 ZINC000634811001 344395970 /nfs/dbraw/zinc/39/59/70/344395970.db2.gz PTVRCFRXBMLTHA-WDEREUQCSA-N 1 0 248.330 0.524 10 0 BCAERO Cc1cc(N2CCO[C@@H]3C[NH2+]C[C@@H]32)nc(C)n1 ZINC000634811174 344396020 /nfs/dbraw/zinc/39/60/20/344396020.db2.gz WMYXIRKLQUKJOT-WDEREUQCSA-N 1 0 234.303 0.270 10 0 BCAERO CC(C)N1CC[NH+]([C@@H](C)[C@@H](C)O)CC1 ZINC000044132903 344399741 /nfs/dbraw/zinc/39/97/41/344399741.db2.gz BXVGNFRLZGOHGD-WDEREUQCSA-N 1 0 200.326 0.782 10 0 BCAERO CO[C@H]1CCN(C[C@@H]2CSCC[NH2+]2)C1 ZINC000234880492 344435738 /nfs/dbraw/zinc/43/57/38/344435738.db2.gz QEUHDCPBDNPJHC-ZJUUUORDSA-N 1 0 216.350 0.412 10 0 BCAERO CSCCNC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000084311046 344418913 /nfs/dbraw/zinc/41/89/13/344418913.db2.gz MIBJOQOMKKRFOL-RKDXNWHRSA-N 1 0 216.350 0.841 10 0 BCAERO O=C1Nc2ccccc2C[C@@H]1N1CC[NH2+]CC1 ZINC000084513152 344438687 /nfs/dbraw/zinc/43/86/87/344438687.db2.gz HEBZGZUHSZBHBN-LBPRGKRZSA-N 1 0 231.299 0.455 10 0 BCAERO NC(=O)[C@]1([NH3+])CCc2cc(Cl)ccc21 ZINC000127596453 344570091 /nfs/dbraw/zinc/57/00/91/344570091.db2.gz UXBOWQHEJOCWIG-JTQLQIEISA-N 1 0 210.664 0.926 10 0 BCAERO CSC1(C[NH2+]C2CCN(CCO)CC2)CC1 ZINC000381615083 344525731 /nfs/dbraw/zinc/52/57/31/344525731.db2.gz UTIACGRVJJGBEN-UHFFFAOYSA-N 1 0 244.404 0.928 10 0 BCAERO C[NH2+][C@@H]1CCN(C2CCSCC2)C1=O ZINC000220776599 344580939 /nfs/dbraw/zinc/58/09/39/344580939.db2.gz SZYSQESAKZQRFE-SECBINFHSA-N 1 0 214.334 0.702 10 0 BCAERO CNC(=O)[C@H](C)O[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000050211699 344657412 /nfs/dbraw/zinc/65/74/12/344657412.db2.gz YYVLBLMVRUQQCV-HRDYMLBCSA-N 1 0 200.282 0.278 10 0 BCAERO CNC(=O)[C@H](C)O[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000050211700 344657504 /nfs/dbraw/zinc/65/75/04/344657504.db2.gz YYVLBLMVRUQQCV-XHNCKOQMSA-N 1 0 200.282 0.278 10 0 BCAERO [NH3+]C[C@H](O)c1ccncc1Br ZINC000215481505 344677884 /nfs/dbraw/zinc/67/78/84/344677884.db2.gz IBXPOYQVFDDCHJ-ZETCQYMHSA-N 1 0 217.066 0.836 10 0 BCAERO COC(=O)[C@H](C)C[N@H+](C)[C@@H]1CCC[C@@H]1O ZINC000050068812 344719342 /nfs/dbraw/zinc/71/93/42/344719342.db2.gz ZGPGQKQIFYZVBE-BBBLOLIVSA-N 1 0 215.293 0.641 10 0 BCAERO CS(=O)(=O)CCNc1cc[nH+]c(N)c1 ZINC000227653413 344727527 /nfs/dbraw/zinc/72/75/27/344727527.db2.gz VKRLWDFGUIFFGA-UHFFFAOYSA-N 1 0 215.278 0.120 10 0 BCAERO Nc1ccn(C2CC[NH+](CCO)CC2)n1 ZINC000221386625 344739591 /nfs/dbraw/zinc/73/95/91/344739591.db2.gz YFBQJWHTVPPEEB-UHFFFAOYSA-N 1 0 210.281 0.095 10 0 BCAERO CNC(=O)OC[C@H]1C[NH2+]CC(C)(C)O1 ZINC000158634648 344703898 /nfs/dbraw/zinc/70/38/98/344703898.db2.gz PZCQLENVGDCJGW-SSDOTTSWSA-N 1 0 202.254 0.109 10 0 BCAERO CS[C@@H]1CC[C@H](N2C[C@@H]([NH3+])C2=O)C1 ZINC000235123974 344804841 /nfs/dbraw/zinc/80/48/41/344804841.db2.gz AUEXYPIGULSHAY-XLPZGREQSA-N 1 0 200.307 0.440 10 0 BCAERO C[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1C(=O)C(F)(F)F ZINC000062810221 347082160 /nfs/dbraw/zinc/08/21/60/347082160.db2.gz SGNOFLHYSLBUQE-QYNIQEEDSA-N 1 0 222.210 0.758 10 0 BCAERO Cc1cn(CC[C@@](C)([NH3+])C(N)=O)c(C)n1 ZINC000715151040 537864903 /nfs/dbraw/zinc/86/49/03/537864903.db2.gz MVUHAJLDNDJLDG-SNVBAGLBSA-N 1 0 210.281 0.093 10 0 BCAERO CCc1nc(C)cn1[C@@H](C)[C@@H]([NH3+])C(N)=O ZINC000715144527 537865744 /nfs/dbraw/zinc/86/57/44/537865744.db2.gz JSWMHWAPZFYOSG-IONNQARKSA-N 1 0 210.281 0.128 10 0 BCAERO CS[C@H]1CCC[C@H]1NC(=O)C1([NH3+])CC1 ZINC000235228649 344849441 /nfs/dbraw/zinc/84/94/41/344849441.db2.gz INAUEYFPBUJMTB-SFYZADRCSA-N 1 0 214.334 0.878 10 0 BCAERO CC[C@](C)([NH3+])C(=O)Nc1cnns1 ZINC000166319626 344854116 /nfs/dbraw/zinc/85/41/16/344854116.db2.gz VDQZCEHIGNMVTI-ZETCQYMHSA-N 1 0 200.267 0.604 10 0 BCAERO COC[C@@H](C)C[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000249172381 537872566 /nfs/dbraw/zinc/87/25/66/537872566.db2.gz CBNICIKCJPSBGU-QWHCGFSZSA-N 1 0 242.363 0.675 10 0 BCAERO C[C@H]1CN[C@@H](C(=O)NCc2ccccc2)C[NH2+]1 ZINC000062813849 347084858 /nfs/dbraw/zinc/08/48/58/347084858.db2.gz PDAVNLYJLYKTKV-CMPLNLGQSA-N 1 0 233.315 0.253 10 0 BCAERO C[C@H]([NH3+])CC(=O)N[C@]1(C)CCCOC1 ZINC000235490563 344925483 /nfs/dbraw/zinc/92/54/83/344925483.db2.gz DLOCGRIHELFMKX-WCBMZHEXSA-N 1 0 200.282 0.409 10 0 BCAERO C[C@H]([NH3+])Cc1c(Br)nnn1C ZINC000235506629 344927694 /nfs/dbraw/zinc/92/76/94/344927694.db2.gz BJHWTARVAFRAEW-BYPYZUCNSA-N 1 0 219.086 0.467 10 0 BCAERO C[NH2+][C@@](C)(Cn1cc(Cl)c(C)n1)C(N)=O ZINC000070704300 537874699 /nfs/dbraw/zinc/87/46/99/537874699.db2.gz BNILTHYZMUQVHH-VIFPVBQESA-N 1 0 230.699 0.308 10 0 BCAERO C[C@H](CN1C[C@H]([NH3+])C1=O)c1nccs1 ZINC000235449803 344914866 /nfs/dbraw/zinc/91/48/66/344914866.db2.gz QMWSBLFPRJBRGO-RQJHMYQMSA-N 1 0 211.290 0.416 10 0 BCAERO C[C@H](CNC(=O)OC(C)(C)C)[NH2+][C@@H](C)C(N)=O ZINC000235465914 344921391 /nfs/dbraw/zinc/92/13/91/344921391.db2.gz SFRVUMVIVQXCJG-SFYZADRCSA-N 1 0 245.323 0.363 10 0 BCAERO Cn1ncnc1S[C@H]1COCC[C@@H]1[NH3+] ZINC000128122293 344961530 /nfs/dbraw/zinc/96/15/30/344961530.db2.gz QXSMKLHYCLKQNU-BQBZGAKWSA-N 1 0 214.294 0.023 10 0 BCAERO Cc1ccn(C[C@H]([NH2+]C(C)C)C(N)=O)n1 ZINC000070686517 537877871 /nfs/dbraw/zinc/87/78/71/537877871.db2.gz YZRXMTFYEFBSAO-VIFPVBQESA-N 1 0 210.281 0.043 10 0 BCAERO CCC[NH2+][C@@H](Cn1nccc1C)C(N)=O ZINC000070686820 537878944 /nfs/dbraw/zinc/87/89/44/537878944.db2.gz FBXOFMSWMONZMJ-VIFPVBQESA-N 1 0 210.281 0.045 10 0 BCAERO COC(=O)c1ccccc1[C@H]([NH3+])CCO ZINC000044233290 344989188 /nfs/dbraw/zinc/98/91/88/344989188.db2.gz VYJARZXYECTAGI-SNVBAGLBSA-N 1 0 209.245 0.855 10 0 BCAERO CN1CC[NH2+]C[C@@H]1CCNC(=O)OC(C)(C)C ZINC000238299517 345012808 /nfs/dbraw/zinc/01/28/08/345012808.db2.gz XRDIHSLFXLSWJX-JTQLQIEISA-N 1 0 243.351 0.805 10 0 BCAERO Clc1cnccc1NC[C@@H]1C[NH2+]CCCO1 ZINC000390183833 259382161 /nfs/dbraw/zinc/38/21/61/259382161.db2.gz FWRGAUBDHYKNHI-VIFPVBQESA-N 1 0 241.722 0.947 10 0 BCAERO C[C@H](O)C1CCN(C(=O)C[C@@H]2CCC[NH2+]2)CC1 ZINC000155202421 345072035 /nfs/dbraw/zinc/07/20/35/345072035.db2.gz BLMKCJZBNACEBR-JQWIXIFHSA-N 1 0 240.347 0.748 10 0 BCAERO CCOC(=O)C(C)(C)NC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000155502955 345082502 /nfs/dbraw/zinc/08/25/02/345082502.db2.gz PNTPQSMPNZYRAW-RKDXNWHRSA-N 1 0 242.319 0.572 10 0 BCAERO Cc1cnc(NC[C@H]2COCC[NH2+]2)nc1C ZINC000395427608 362575182 /nfs/dbraw/zinc/57/51/82/362575182.db2.gz PCTOVILHAJALCH-JTQLQIEISA-N 1 0 222.292 0.494 10 0 BCAERO Cc1ccc(S(=O)(=O)[C@H]2CCC[NH2+]C2)nc1 ZINC000095069008 178826969 /nfs/dbraw/zinc/82/69/69/178826969.db2.gz ZKNNYBXQIAIOJV-JTQLQIEISA-N 1 0 240.328 0.916 10 0 BCAERO C[N@@H+]1CCC[C@H](CN2CCC(=O)CC2)C1 ZINC000044537308 345112733 /nfs/dbraw/zinc/11/27/33/345112733.db2.gz BTTVSEQOEMSXBL-NSHDSACASA-N 1 0 210.321 0.993 10 0 BCAERO C[C@H](O)C1CCN(CC23CC(C2)C[NH2+]3)CC1 ZINC000634992613 345181135 /nfs/dbraw/zinc/18/11/35/345181135.db2.gz VURYODKCMZJXGZ-ZBOXLXRLSA-N 1 0 224.348 0.831 10 0 BCAERO Cc1ccc([C@H]2C[NH2+]C[C@H]2C(N)=O)cc1 ZINC000225376729 345145068 /nfs/dbraw/zinc/14/50/68/345145068.db2.gz QTRQQERASCLNJT-GHMZBOCLSA-N 1 0 204.273 0.783 10 0 BCAERO C[NH2+][C@H](C)C(=O)Nc1n[nH]cc1Br ZINC000307237957 345248701 /nfs/dbraw/zinc/24/87/01/345248701.db2.gz YMHYLAMDDFHPRV-SCSAIBSYSA-N 1 0 247.096 0.719 10 0 BCAERO Cn1c(Cl)ncc1C1=C[C@@H]([NH3+])CNC1 ZINC000675077708 537895686 /nfs/dbraw/zinc/89/56/86/537895686.db2.gz HNWPFNPTPYUJPO-SSDOTTSWSA-N 1 0 212.684 0.387 10 0 BCAERO CC[C@](C)(O)C[N@@H+]1C[C@H](CO)OC(C)(C)C1 ZINC000158709620 345368675 /nfs/dbraw/zinc/36/86/75/345368675.db2.gz FIDZFFPOHLBJPV-PWSUYJOCSA-N 1 0 231.336 0.619 10 0 BCAERO CCOCC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000158898007 345385732 /nfs/dbraw/zinc/38/57/32/345385732.db2.gz FCQXPFJBSTZJPI-QWRGUYRKSA-N 1 0 228.336 0.868 10 0 BCAERO CCN1CCC[C@H]1C[NH2+]CC(OC)OC ZINC000082534387 345332277 /nfs/dbraw/zinc/33/22/77/345332277.db2.gz KJGACXLLUSXSBL-JTQLQIEISA-N 1 0 216.325 0.679 10 0 BCAERO C[N@H+]([C@H]1CCC[NH2+]CC1)C(C)(C)CO ZINC000228852536 345408468 /nfs/dbraw/zinc/40/84/68/345408468.db2.gz TXNFQKCFCSLTQN-JTQLQIEISA-N 1 0 200.326 0.831 10 0 BCAERO COC[C@H]([NH3+])C(=O)N(C)Cc1ccccc1F ZINC000159122717 345410475 /nfs/dbraw/zinc/41/04/75/345410475.db2.gz JQOILCJEPUOCFM-NSHDSACASA-N 1 0 240.278 0.758 10 0 BCAERO C[C@@H](C[S@@](C)=O)NC1=[NH+]CCCS1 ZINC000229020140 345428894 /nfs/dbraw/zinc/42/88/94/345428894.db2.gz UAXAWLOSUHKYFQ-WPPNPWJKSA-N 1 0 220.363 0.836 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N(C)Cc1ccccc1C ZINC000159619480 345449030 /nfs/dbraw/zinc/44/90/30/345449030.db2.gz SPTLJERESJJIBL-GFCCVEGCSA-N 1 0 236.315 0.927 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N1CCC[C@H]1c1cccnc1 ZINC000159624338 345449908 /nfs/dbraw/zinc/44/99/08/345449908.db2.gz ILEVYYIXSJEMHC-NEPJUHHUSA-N 1 0 249.314 0.719 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N1CCC[C@@H]1c1cccnc1 ZINC000159624113 345449979 /nfs/dbraw/zinc/44/99/79/345449979.db2.gz ILEVYYIXSJEMHC-VXGBXAGGSA-N 1 0 249.314 0.719 10 0 BCAERO COC[C@H]([NH3+])C(=O)N1CCC[C@@H]1c1ccncc1 ZINC000159625812 345450052 /nfs/dbraw/zinc/45/00/52/345450052.db2.gz CWEHPRNFHQEAPH-NWDGAFQWSA-N 1 0 249.314 0.719 10 0 BCAERO COC(=O)N1C[C@H](C[NH3+])OC(C)(C)C1 ZINC000158814846 345505683 /nfs/dbraw/zinc/50/56/83/345505683.db2.gz ZBTIDLDVDBHCGU-ZETCQYMHSA-N 1 0 202.254 0.191 10 0 BCAERO C[C@@H]1CN(C(=O)C2([NH3+])CCOCC2)CCS1 ZINC000159667895 345461701 /nfs/dbraw/zinc/46/17/01/345461701.db2.gz DIXFVWCPCYQXSW-SECBINFHSA-N 1 0 244.360 0.458 10 0 BCAERO CC[C@@](C)(O)CN1CCn2ccnc2C1 ZINC000229391229 345556696 /nfs/dbraw/zinc/55/66/96/345556696.db2.gz UTEPQIQZMCWOES-LLVKDONJSA-N 1 0 209.293 0.860 10 0 BCAERO C[NH2+][C@@H]1CC[C@H](C)C[C@H]1S(C)(=O)=O ZINC000054930185 345562723 /nfs/dbraw/zinc/56/27/23/345562723.db2.gz ALKXFSGBFXNYPM-DJLDLDEBSA-N 1 0 205.323 0.808 10 0 BCAERO COC[C@H]([NH3+])C(=O)N(C)[C@@H](C)c1ccncc1 ZINC000159764550 345513332 /nfs/dbraw/zinc/51/33/32/345513332.db2.gz ZBAJGCCYIDMBEZ-ONGXEEELSA-N 1 0 237.303 0.575 10 0 BCAERO CCOC[C@@H](O)C[NH2+][C@@H](CO)CC(C)C ZINC000068951611 349932385 /nfs/dbraw/zinc/93/23/85/349932385.db2.gz JPCLNUPVEWKDAW-MNOVXSKESA-N 1 0 219.325 0.380 10 0 BCAERO Nc1ncc([C@@]2(O)C[NH+]3CCC2CC3)s1 ZINC000403158861 537900288 /nfs/dbraw/zinc/90/02/88/537900288.db2.gz PTNVPACJAKQFST-SNVBAGLBSA-N 1 0 225.317 0.469 10 0 BCAERO Cc1ccnc(N2CC[C@@H]3C[NH2+]C[C@@H]32)n1 ZINC000213154106 345740208 /nfs/dbraw/zinc/74/02/08/345740208.db2.gz XTLWGIKAMLKOSM-ZJUUUORDSA-N 1 0 204.277 0.583 10 0 BCAERO CC(C)N(C)C(=O)CN1CC[NH2+][C@H](C)C1 ZINC000083814591 133560723 /nfs/dbraw/zinc/56/07/23/133560723.db2.gz FCCRTOOPSNLPFT-SNVBAGLBSA-N 1 0 213.325 0.147 10 0 BCAERO CCc1ccccc1CNC(=O)[C@H]([NH3+])COC ZINC000159964186 345758670 /nfs/dbraw/zinc/75/86/70/345758670.db2.gz STUAVVMWBMLVES-GFCCVEGCSA-N 1 0 236.315 0.839 10 0 BCAERO CC[C@@H]1CO[C@H](C)CN1[C@@H](C)C(N)=O ZINC000061679361 345809821 /nfs/dbraw/zinc/80/98/21/345809821.db2.gz TXXDCRXXTOEHNA-HRDYMLBCSA-N 1 0 200.282 0.360 10 0 BCAERO COC[C@@H]1CC[C@@H]([C@H]2COCC[NH2+]2)O1 ZINC000306185773 537910802 /nfs/dbraw/zinc/91/08/02/537910802.db2.gz MXQJJCWDEUAXPA-AEJSXWLSSA-N 1 0 201.266 0.169 10 0 BCAERO COC[C@@H]1CC[C@H]([C@@H]2COCC[NH2+]2)O1 ZINC000306185776 537910820 /nfs/dbraw/zinc/91/08/20/537910820.db2.gz MXQJJCWDEUAXPA-LPEHRKFASA-N 1 0 201.266 0.169 10 0 BCAERO C[C@H]1C[C@H](C(F)(F)F)N2CC[NH+]=C2N1 ZINC000235704557 345783810 /nfs/dbraw/zinc/78/38/10/345783810.db2.gz AVWGGAFTMNFEFE-NTSWFWBYSA-N 1 0 207.199 0.971 10 0 BCAERO COc1cccc(C(=O)N2CC[NH2+][C@H](C)C2)n1 ZINC000215553356 345847835 /nfs/dbraw/zinc/84/78/35/345847835.db2.gz QESQFGFYAJATMT-SECBINFHSA-N 1 0 235.287 0.524 10 0 BCAERO [NH3+]Cc1c([N+](=O)[O-])cccc1N1CCOCC1 ZINC000142811108 345875792 /nfs/dbraw/zinc/87/57/92/345875792.db2.gz YIRQVWDGZGGTPH-UHFFFAOYSA-N 1 0 237.259 0.890 10 0 BCAERO CCN1CCO[C@H](C[NH3+])[C@H]1c1cnn(C)c1 ZINC000250316459 537918297 /nfs/dbraw/zinc/91/82/97/537918297.db2.gz MOAMHZRMACVAMG-GHMZBOCLSA-N 1 0 224.308 0.141 10 0 BCAERO Cc1ccn([C@@H](C)C[C@@](C)([NH3+])C(N)=O)n1 ZINC000082800585 537924295 /nfs/dbraw/zinc/92/42/95/537924295.db2.gz YMNOTGFXUBUQSU-WCBMZHEXSA-N 1 0 210.281 0.345 10 0 BCAERO C[C@@H](C[C@@](C)([NH3+])C(N)=O)n1cc(Cl)cn1 ZINC000082800521 537924389 /nfs/dbraw/zinc/92/43/89/537924389.db2.gz CGWQBYHDOOGXFZ-IMTBSYHQSA-N 1 0 230.699 0.690 10 0 BCAERO C[NH+]1CCC(C(=O)N2CC=CCN2)CC1 ZINC000628223831 345964916 /nfs/dbraw/zinc/96/49/16/345964916.db2.gz SKPBWLLGBVQGRX-UHFFFAOYSA-N 1 0 209.293 0.231 10 0 BCAERO CC1CC[NH+](CCn2cnc(N)n2)CC1 ZINC000723464750 537935172 /nfs/dbraw/zinc/93/51/72/537935172.db2.gz GQTFYBPMTMTBJF-UHFFFAOYSA-N 1 0 209.297 0.592 10 0 BCAERO O=C1CCCC[C@H]1[N@@H+]1CCNC(=O)CC1 ZINC000062101478 346201317 /nfs/dbraw/zinc/20/13/17/346201317.db2.gz JQSYJXNWQPSDDK-SECBINFHSA-N 1 0 210.277 0.320 10 0 BCAERO [NH3+]C1CN(C(=O)c2ccoc2Br)C1 ZINC000236168694 346203753 /nfs/dbraw/zinc/20/37/53/346203753.db2.gz ZBNBODSNFLLIHK-UHFFFAOYSA-N 1 0 245.076 0.825 10 0 BCAERO [NH3+]CC(=O)Nc1cccnc1Br ZINC000236175410 346205321 /nfs/dbraw/zinc/20/53/21/346205321.db2.gz CHMDUAHEIUMMTD-UHFFFAOYSA-N 1 0 230.065 0.741 10 0 BCAERO NC(=O)[C@]1([NH3+])CC[C@@H](Sc2ncc[nH]2)C1 ZINC000236212559 346211455 /nfs/dbraw/zinc/21/14/55/346211455.db2.gz OSDLLCUYLKXFIJ-MUWHJKNJSA-N 1 0 226.305 0.237 10 0 BCAERO C[C@@H](C(N)=S)[N@@H+]1CCCO[C@@H](C)C1 ZINC000061918549 346180238 /nfs/dbraw/zinc/18/02/38/346180238.db2.gz SPVKLGLERKJHLS-YUMQZZPRSA-N 1 0 202.323 0.772 10 0 BCAERO C[C@@H]1C[N@H+](CCC(N)=S)CCCO1 ZINC000061918506 346180306 /nfs/dbraw/zinc/18/03/06/346180306.db2.gz GPWFSAWCJSNAOF-MRVPVSSYSA-N 1 0 202.323 0.773 10 0 BCAERO Cn1nnc(Br)c1[C@@H](F)C[NH3+] ZINC000236106701 346196094 /nfs/dbraw/zinc/19/60/94/346196094.db2.gz RLQSXKSPCUOCGK-VKHMYHEASA-N 1 0 223.049 0.547 10 0 BCAERO COC(=O)[C@H](NC(=O)C[C@H]([NH3+])C(C)C)C(C)C ZINC000136431028 346217125 /nfs/dbraw/zinc/21/71/25/346217125.db2.gz HYQAVEFWPZXJFN-GXSJLCMTSA-N 1 0 244.335 0.674 10 0 BCAERO CO[C@@H](CNC(=O)[C@@]1(C)CCC[NH2+]1)C(C)C ZINC000394487160 346218090 /nfs/dbraw/zinc/21/80/90/346218090.db2.gz WSLYQGZBMFEQQJ-CMPLNLGQSA-N 1 0 228.336 0.916 10 0 BCAERO [NH3+][C@H]1CCOC[C@@H]1Sc1ncco1 ZINC000236325251 346226077 /nfs/dbraw/zinc/22/60/77/346226077.db2.gz JAJMKYLPBCGWDJ-BQBZGAKWSA-N 1 0 200.263 0.883 10 0 BCAERO Cc1cccc(C(=O)N2CC[C@@H]([NH3+])[C@H]2C)n1 ZINC000335550895 179011826 /nfs/dbraw/zinc/01/18/26/179011826.db2.gz FIZDTXJKZWASOL-NXEZZACHSA-N 1 0 219.288 0.952 10 0 BCAERO [NH3+][C@]1(Cc2nccs2)CCS(=O)(=O)C1 ZINC000167469787 346251216 /nfs/dbraw/zinc/25/12/16/346251216.db2.gz BHPHKOJRNGWGBT-QMMMGPOBSA-N 1 0 232.330 0.202 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N(CCCOC)CCOC ZINC000037901857 346255000 /nfs/dbraw/zinc/25/50/00/346255000.db2.gz AQBAWHIIWOMHDU-NSHDSACASA-N 1 0 246.351 0.625 10 0 BCAERO NNc1[nH+]cnc2c1cnn2[C@@H]1CCOC1 ZINC000669377029 537963611 /nfs/dbraw/zinc/96/36/11/537963611.db2.gz DXWHSHBXYATDLG-ZCFIWIBFSA-N 1 0 220.236 0.073 10 0 BCAERO COc1nscc1[C@H](O)[C@@H](C)C[NH3+] ZINC000669377611 537964733 /nfs/dbraw/zinc/96/47/33/537964733.db2.gz UZYKVQRSQWJEFW-CAHLUQPWSA-N 1 0 202.279 0.780 10 0 BCAERO O=S1(=O)CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000167640073 346293644 /nfs/dbraw/zinc/29/36/44/346293644.db2.gz BQSGPYMNUZDXRF-RKDXNWHRSA-N 1 0 203.307 0.706 10 0 BCAERO O=S1(=O)CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000167639750 346293651 /nfs/dbraw/zinc/29/36/51/346293651.db2.gz BQSGPYMNUZDXRF-IUCAKERBSA-N 1 0 203.307 0.706 10 0 BCAERO COCCC(=O)NCC[C@@H]1C[NH2+]C[C@H]1C ZINC000669378370 537966863 /nfs/dbraw/zinc/96/68/63/537966863.db2.gz BRMPRHKAWAWRRK-NXEZZACHSA-N 1 0 214.309 0.385 10 0 BCAERO CCC[N@H+](C)C[C@H]1C[NH2+]C[C@H](C(=O)[O-])C1 ZINC000669378397 537967059 /nfs/dbraw/zinc/96/70/59/537967059.db2.gz CVLCAZGKYOYNBJ-NXEZZACHSA-N 1 0 214.309 0.639 10 0 BCAERO CCC[C@]1([NH2+]C[C@H]2CNC(=O)O2)CCOC1 ZINC000381541088 346303157 /nfs/dbraw/zinc/30/31/57/346303157.db2.gz HWDQQKWSYFGCRE-KOLCDFICSA-N 1 0 228.292 0.644 10 0 BCAERO CCC[N@H+](C)C[C@H]1C[NH2+]C[C@@H](C(=O)[O-])C1 ZINC000669378400 537966291 /nfs/dbraw/zinc/96/62/91/537966291.db2.gz CVLCAZGKYOYNBJ-ZJUUUORDSA-N 1 0 214.309 0.639 10 0 BCAERO COCC(=O)N1CCCC[C@H](C[NH3+])C1 ZINC000308711511 537968218 /nfs/dbraw/zinc/96/82/18/537968218.db2.gz YYXKYDCTNSBUPA-SECBINFHSA-N 1 0 200.282 0.220 10 0 BCAERO CC1(C)C[NH2+]C[C@@H]1NS(=O)(=O)C1CCCC1 ZINC000669378294 537968976 /nfs/dbraw/zinc/96/89/76/537968976.db2.gz DFJVJVLISLWYMM-JTQLQIEISA-N 1 0 246.376 0.846 10 0 BCAERO COCCC(=O)N[C@@H]1C[NH2+]CC1(C)C ZINC000669378504 537971073 /nfs/dbraw/zinc/97/10/73/537971073.db2.gz IUJCRWFNEVZUIK-MRVPVSSYSA-N 1 0 200.282 0.137 10 0 BCAERO CC(C)[N@H+](C)C[C@H]1C[NH2+]C[C@H](C(=O)[O-])C1 ZINC000669378570 537969454 /nfs/dbraw/zinc/96/94/54/537969454.db2.gz HILGGEMEASCSDD-NXEZZACHSA-N 1 0 214.309 0.637 10 0 BCAERO COC[C@@H]([NH3+])C(=O)Nc1ccc(F)c(OC)c1 ZINC000160363491 346364650 /nfs/dbraw/zinc/36/46/50/346364650.db2.gz MYBHXLGQHWJQNH-SECBINFHSA-N 1 0 242.250 0.747 10 0 BCAERO CCOC(=O)[C@@H](C)[N@@H+]1CC[C@H](CCO)C1 ZINC000161590661 346339474 /nfs/dbraw/zinc/33/94/74/346339474.db2.gz XVDPOOVSPZZZRE-NXEZZACHSA-N 1 0 215.293 0.642 10 0 BCAERO O=C(N1CC=CCN1)C12CCC[NH+](CCC1)C2 ZINC000636242170 346366553 /nfs/dbraw/zinc/36/65/53/346366553.db2.gz ALVBHLHZXLGTJI-UHFFFAOYSA-N 1 0 235.331 0.765 10 0 BCAERO Cc1cccc(CC[NH2+]CC(=O)NC(N)=O)c1 ZINC000051670153 179058535 /nfs/dbraw/zinc/05/85/35/179058535.db2.gz DUPFQBBBUADYOB-UHFFFAOYSA-N 1 0 235.287 0.322 10 0 BCAERO CC[N@H+](C)C[C@@H]1C[NH2+]C[C@H](C(=O)[O-])C1 ZINC000669379195 537975867 /nfs/dbraw/zinc/97/58/67/537975867.db2.gz WOMYXVKNBVMXKP-DTWKUNHWSA-N 1 0 200.282 0.248 10 0 BCAERO CCCCS(=O)(=O)N1CCC[NH2+]CC12CC2 ZINC000725241382 537978669 /nfs/dbraw/zinc/97/86/69/537978669.db2.gz FAMFYVIKQLFSCW-UHFFFAOYSA-N 1 0 246.376 0.944 10 0 BCAERO Cc1cccc(CN2CC[C@@H]([NH3+])C2=O)n1 ZINC000051576647 179079891 /nfs/dbraw/zinc/07/98/91/179079891.db2.gz BBZWPPHBLBICMH-SNVBAGLBSA-N 1 0 205.261 0.450 10 0 BCAERO O=S(=O)(C1CC1)N1CCC[NH2+]CC12CC2 ZINC000725241317 537979564 /nfs/dbraw/zinc/97/95/64/537979564.db2.gz DCVHOQWNWYBYJI-UHFFFAOYSA-N 1 0 230.333 0.307 10 0 BCAERO OCCCCCn1cc([C@H]2CCC[NH2+]2)nn1 ZINC000725241416 537979092 /nfs/dbraw/zinc/97/90/92/537979092.db2.gz FFEDPFUZXSLXJT-SNVBAGLBSA-N 1 0 224.308 0.865 10 0 BCAERO Cc1cccc(C[NH2+][C@@H]2CC(=O)NC2=O)c1 ZINC000105000175 179097761 /nfs/dbraw/zinc/09/77/61/179097761.db2.gz KWZPEKUUOBYTJL-SNVBAGLBSA-N 1 0 218.256 0.500 10 0 BCAERO CCC(F)(F)CN1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000641798262 362743415 /nfs/dbraw/zinc/74/34/15/362743415.db2.gz DEFJMFUNSUYXIR-DTWKUNHWSA-N 1 0 220.263 0.704 10 0 BCAERO COCC[C@@H](C)NC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170836100 346459877 /nfs/dbraw/zinc/45/98/77/346459877.db2.gz UDLLCCVENXSFSY-MNOVXSKESA-N 1 0 243.351 0.757 10 0 BCAERO COCCCNC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170861627 346462001 /nfs/dbraw/zinc/46/20/01/346462001.db2.gz OIDCTPTWBQJURQ-JTQLQIEISA-N 1 0 229.324 0.368 10 0 BCAERO CCCCS(=O)(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170873468 346465332 /nfs/dbraw/zinc/46/53/32/346465332.db2.gz TZPCXXOWLHUUNW-JTQLQIEISA-N 1 0 234.365 0.752 10 0 BCAERO COCCCC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170865678 346466047 /nfs/dbraw/zinc/46/60/47/346466047.db2.gz IVKTVINXYCHSMS-JTQLQIEISA-N 1 0 214.309 0.576 10 0 BCAERO C[C@@H](C(=O)[O-])[C@@H](C)[N@@H+]1CCC[C@@H]([NH3+])C1 ZINC000222011763 349970038 /nfs/dbraw/zinc/97/00/38/349970038.db2.gz DZOOJMYUUDSKBO-IWSPIJDZSA-N 1 0 200.282 0.519 10 0 BCAERO C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)OC(C)(C)C ZINC000002560924 346511252 /nfs/dbraw/zinc/51/12/52/346511252.db2.gz SVLVBJGAHGTROD-BQBZGAKWSA-N 1 0 216.281 0.180 10 0 BCAERO CC(C)C[C@H](C[NH3+])n1cc(S(C)(=O)=O)cn1 ZINC000725242247 537983394 /nfs/dbraw/zinc/98/33/94/537983394.db2.gz POTPFWRKAUVVLW-SECBINFHSA-N 1 0 245.348 0.833 10 0 BCAERO COCC1(CC(=O)N2C[C@H](C)[C@H]([NH3+])C2)CC1 ZINC000401264375 346538035 /nfs/dbraw/zinc/53/80/35/346538035.db2.gz SJCSQNVQYKLZPJ-VHSXEESVSA-N 1 0 226.320 0.609 10 0 BCAERO Cc1cccc(N(C)S(=O)(=O)CC[NH3+])c1 ZINC000020261542 179118512 /nfs/dbraw/zinc/11/85/12/179118512.db2.gz HTDKCUJHEKQGSU-UHFFFAOYSA-N 1 0 228.317 0.720 10 0 BCAERO Cc1nnc2sc(CC3C[NH2+]C3)nn12 ZINC000163828626 346579239 /nfs/dbraw/zinc/57/92/39/346579239.db2.gz MPLPPMRKIFDQKV-UHFFFAOYSA-N 1 0 209.278 0.256 10 0 BCAERO CO[C@@H](C)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000163883109 346580997 /nfs/dbraw/zinc/58/09/97/346580997.db2.gz OIJYILMQJCFNPN-IUCAKERBSA-N 1 0 200.282 0.280 10 0 BCAERO COC1CCC2(CC1)OC[C@@H](C[NH3+])O2 ZINC000164367806 346602659 /nfs/dbraw/zinc/60/26/59/346602659.db2.gz VBMYNKHROZLWOD-HWOCKDDLSA-N 1 0 201.266 0.646 10 0 BCAERO C[C@@H](CCC[NH3+])n1cc(S(C)(=O)=O)cn1 ZINC000725242212 537984158 /nfs/dbraw/zinc/98/41/58/537984158.db2.gz MWOGNBJHDPPNAT-QMMMGPOBSA-N 1 0 231.321 0.587 10 0 BCAERO CC[C@H]([C@H](C)[NH3+])n1cc(S(C)(=O)=O)cn1 ZINC000725242304 537984181 /nfs/dbraw/zinc/98/41/81/537984181.db2.gz SOVGKPFGBSISIU-IONNQARKSA-N 1 0 231.321 0.585 10 0 BCAERO CC1(C)CN(S(=O)(=O)C2CCCC2)C[C@@H]1[NH3+] ZINC000388023490 537984169 /nfs/dbraw/zinc/98/41/69/537984169.db2.gz FUSKPZBMQRHJTN-JTQLQIEISA-N 1 0 246.376 0.928 10 0 BCAERO Cc1cccc(N)c1C(=O)NCC[NH+](C)C ZINC000022212694 179119670 /nfs/dbraw/zinc/11/96/70/179119670.db2.gz AKCLFROCQCHKBE-UHFFFAOYSA-N 1 0 221.304 0.869 10 0 BCAERO C[C@H]1CC[C@@H](NS(=O)(=O)C(F)F)C[NH2+]1 ZINC000164764303 346624334 /nfs/dbraw/zinc/62/43/34/346624334.db2.gz ZHVXULRVEDEXCJ-NTSWFWBYSA-N 1 0 228.264 0.269 10 0 BCAERO [NH2+]=C([C@@H]1CCS(=O)(=O)C1)N1CCCC1 ZINC000167413975 346708734 /nfs/dbraw/zinc/70/87/34/346708734.db2.gz VPWFOBUUDJDGRT-MRVPVSSYSA-N 1 0 216.306 0.494 10 0 BCAERO C[NH2+][C@H](C)C(=O)N(C)C[C@H]1CCC[C@@H]1O ZINC000580210878 346682235 /nfs/dbraw/zinc/68/22/35/346682235.db2.gz HEHYONJCOSGZFT-BBBLOLIVSA-N 1 0 214.309 0.214 10 0 BCAERO CS(=O)(=O)NC[C@@H]1[NH2+]CC[C@H]2CCCC[C@H]21 ZINC000669380071 537985444 /nfs/dbraw/zinc/98/54/44/537985444.db2.gz HRAMRUUDIXQQIQ-MXWKQRLJSA-N 1 0 246.376 0.704 10 0 BCAERO CS[C@H](CO)[C@H](C)[NH2+]CC(C)(C)O ZINC000228373134 347110740 /nfs/dbraw/zinc/11/07/40/347110740.db2.gz NYNMMEADIDROBP-JGVFFNPUSA-N 1 0 207.339 0.459 10 0 BCAERO Cc1cccc(OCC(=O)NCC[NH3+])c1C ZINC000019787076 179163086 /nfs/dbraw/zinc/16/30/86/179163086.db2.gz GJKMSALLZCEVNG-UHFFFAOYSA-N 1 0 222.288 0.757 10 0 BCAERO C[C@H]1[NH2+]CCC[C@H]1C(=O)N[C@H]1CCSC1 ZINC000378670239 346801158 /nfs/dbraw/zinc/80/11/58/346801158.db2.gz CQWNGXAQHNZMSG-KXUCPTDWSA-N 1 0 228.361 0.996 10 0 BCAERO CO[C@H](C)[C@@H](C)[NH2+]C[C@@H]1CN(C)CCO1 ZINC000161578032 133646457 /nfs/dbraw/zinc/64/64/57/133646457.db2.gz IQJBKWLKZCMYOT-GMTAPVOTSA-N 1 0 216.325 0.330 10 0 BCAERO CC(C)O[C@@H]1CC[C@@H]2[NH2+]CCN(C)[C@H]2N1 ZINC000669380383 537987827 /nfs/dbraw/zinc/98/78/27/537987827.db2.gz MNVCHEWGKGSOHG-HBNTYKKESA-N 1 0 213.325 0.351 10 0 BCAERO [NH3+]C[C@](O)(C1CCOCC1)C(F)(F)F ZINC000675055158 537987181 /nfs/dbraw/zinc/98/71/81/537987181.db2.gz YWAHUYBWZHOUGA-ZETCQYMHSA-N 1 0 213.199 0.665 10 0 BCAERO CCOC(=O)[C@H](C)N1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000601325891 347210204 /nfs/dbraw/zinc/21/02/04/347210204.db2.gz HCJFQQSXCRKWLQ-UTLUCORTSA-N 1 0 214.309 0.465 10 0 BCAERO CC1COC(C[NH3+])(c2ccncc2)OC1 ZINC000167809285 347184378 /nfs/dbraw/zinc/18/43/78/347184378.db2.gz GBGRNCDMZGRHJC-UHFFFAOYSA-N 1 0 208.261 0.876 10 0 BCAERO CC[C@@H]([NH2+][C@@H]1CCc2nccn2C1)C(N)=O ZINC000310022748 347219833 /nfs/dbraw/zinc/21/98/33/347219833.db2.gz OCYHWLIGXGHNCT-RKDXNWHRSA-N 1 0 222.292 0.051 10 0 BCAERO CO[C@@H]1CC[C@@H]2[NH2+]CCN(C(C)C)[C@@H]2N1 ZINC000669380336 537988203 /nfs/dbraw/zinc/98/82/03/537988203.db2.gz LNARVMDLPCEQJW-AXFHLTTASA-N 1 0 213.325 0.351 10 0 BCAERO CN1CCN([C@H]2CCSC2)[C@H](C[NH3+])C1 ZINC000250376664 362802219 /nfs/dbraw/zinc/80/22/19/362802219.db2.gz KSVJACVTLVVPOD-VHSXEESVSA-N 1 0 215.366 0.067 10 0 BCAERO C[N@H+](C[C@@H]1CNCCO1)[C@H]1CCSC1 ZINC000250492850 362806185 /nfs/dbraw/zinc/80/61/85/362806185.db2.gz YLEZZEGXKCKGNP-UWVGGRQHSA-N 1 0 216.350 0.412 10 0 BCAERO COC[C@]1(C2CC2)[NH2+]CCc2ncn(C)c21 ZINC000725242800 537988965 /nfs/dbraw/zinc/98/89/65/537988965.db2.gz UIKDTHWUNOOZOL-GFCCVEGCSA-N 1 0 221.304 0.818 10 0 BCAERO Clc1cnc(N[C@@H]2[C@H]3C[NH2+]C[C@H]32)nc1 ZINC000250764542 362819302 /nfs/dbraw/zinc/81/93/02/362819302.db2.gz JREWJLOSYRJOOK-JIGDXULJSA-N 1 0 210.668 0.760 10 0 BCAERO CCCCS(=O)(=O)N1CCC[C@H]1C[NH3+] ZINC000020182646 347412093 /nfs/dbraw/zinc/41/20/93/347412093.db2.gz DTOQLDCLNFCDPN-VIFPVBQESA-N 1 0 220.338 0.539 10 0 BCAERO C[C@H](O)C[N@H+](C)[C@H]1CCCCC[C@H]1O ZINC000251056987 362834688 /nfs/dbraw/zinc/83/46/88/362834688.db2.gz BPXHSJRHAMVSEL-GARJFASQSA-N 1 0 201.310 0.993 10 0 BCAERO C[C@H](C[NH3+])C(=O)N[C@H]1CCCC[C@H]1O ZINC000251079570 362836819 /nfs/dbraw/zinc/83/68/19/362836819.db2.gz HGUMZOKNJWAYPR-HRDYMLBCSA-N 1 0 200.282 0.001 10 0 BCAERO CC(C)(C)[C@@H](O)C[NH2+][C@@H]1CCNC(=O)CC1 ZINC000396669139 362827697 /nfs/dbraw/zinc/82/76/97/362827697.db2.gz QRUSNMKIYDERMD-UWVGGRQHSA-N 1 0 228.336 0.652 10 0 BCAERO C[C@@H](C(N)=S)[N@@H+]1CCN2CCC[C@H]2C1 ZINC000251032210 362833300 /nfs/dbraw/zinc/83/33/00/362833300.db2.gz ISTBSBAYDSSZTO-IUCAKERBSA-N 1 0 213.350 0.441 10 0 BCAERO CO[C@H]1C[C@@H](CO)[N@H+](CCC2CCOCC2)C1 ZINC000393828725 259395807 /nfs/dbraw/zinc/39/58/07/259395807.db2.gz JHXNEOGPJXDCIK-STQMWFEESA-N 1 0 243.347 0.885 10 0 BCAERO CC(C)CNC(=O)NC[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000675055307 537990484 /nfs/dbraw/zinc/99/04/84/537990484.db2.gz ZMTQURJDFNFOTI-MYJAWHEDSA-N 1 0 211.309 0.407 10 0 BCAERO Cc1ccccc1C(=O)N1CCN(C(N)=[NH2+])CC1 ZINC000002528819 179247089 /nfs/dbraw/zinc/24/70/89/179247089.db2.gz UMEDXOOQDASLOS-UHFFFAOYSA-N 1 0 246.314 0.646 10 0 BCAERO CC(C)[C@H](CCO)[NH2+]C[C@@H]1CNC(=O)O1 ZINC000380116995 365896568 /nfs/dbraw/zinc/89/65/68/365896568.db2.gz PRIXHAMCXRFSBR-BDAKNGLRSA-N 1 0 216.281 0.091 10 0 BCAERO CC(C)[C@@H](CCO)[NH2+]C[C@@H]1CNC(=O)O1 ZINC000380116999 365896176 /nfs/dbraw/zinc/89/61/76/365896176.db2.gz PRIXHAMCXRFSBR-RKDXNWHRSA-N 1 0 216.281 0.091 10 0 BCAERO O=C1CCCN1C[C@H](O)C[NH+]1CCCCCC1 ZINC000197061084 347541004 /nfs/dbraw/zinc/54/10/04/347541004.db2.gz MFPHAXNOCPIQDV-GFCCVEGCSA-N 1 0 240.347 0.846 10 0 BCAERO COC(=O)c1cc[nH+]c(NN(C)C)c1N ZINC000149949132 347573944 /nfs/dbraw/zinc/57/39/44/347573944.db2.gz LBKZPJFWJNJPHU-UHFFFAOYSA-N 1 0 210.237 0.339 10 0 BCAERO CN(C)Cc1nc(Cl)c2c(n1)CC[NH2+]C2 ZINC000616569500 347696671 /nfs/dbraw/zinc/69/66/71/347696671.db2.gz VHOUCSQTHHYOOC-UHFFFAOYSA-N 1 0 226.711 0.837 10 0 BCAERO COC[C@@]1(C(=O)NCCSC)CCC[NH2+]1 ZINC000591591603 347672529 /nfs/dbraw/zinc/67/25/29/347672529.db2.gz GLNDTNOJXYCBAX-SNVBAGLBSA-N 1 0 232.349 0.234 10 0 BCAERO COC[C@]1(C(=O)NCCSC)CCC[NH2+]1 ZINC000591591602 347672707 /nfs/dbraw/zinc/67/27/07/347672707.db2.gz GLNDTNOJXYCBAX-JTQLQIEISA-N 1 0 232.349 0.234 10 0 BCAERO CSCCCNC(=O)[C@@H]1C[NH2+]CCOC1 ZINC000591593265 347673575 /nfs/dbraw/zinc/67/35/75/347673575.db2.gz GLQLQUXNZNZAKZ-SECBINFHSA-N 1 0 232.349 0.092 10 0 BCAERO CCOCCN(CC)C(=O)[C@H]1CCC[NH2+]C1 ZINC000082538446 347766310 /nfs/dbraw/zinc/76/63/10/347766310.db2.gz RFWNZXYECCQYHK-NSHDSACASA-N 1 0 228.336 0.871 10 0 BCAERO Cc1ccccc1C[C@@H]1NCCNC1=O ZINC000071508986 179290150 /nfs/dbraw/zinc/29/01/50/179290150.db2.gz OAVQARKVLSMGOR-NSHDSACASA-N 1 0 204.273 0.626 10 0 BCAERO CCCCOCCNC(=O)[C@@H]1C[NH2+]C[C@@H]1C ZINC000082559704 347828825 /nfs/dbraw/zinc/82/88/25/347828825.db2.gz DSLMWDZHYVDUKI-WDEREUQCSA-N 1 0 228.336 0.775 10 0 BCAERO Cc1cc2nc(C3C[NH2+]C3)nn2c(O)c1C ZINC000725243206 537992754 /nfs/dbraw/zinc/99/27/54/537992754.db2.gz PXMVJSDKCVLDFQ-UHFFFAOYSA-N 1 0 218.260 0.739 10 0 BCAERO COCC(=O)N1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000616569854 347850233 /nfs/dbraw/zinc/85/02/33/347850233.db2.gz CTHCRVGUXYHMOY-RNFRBKRXSA-N 1 0 240.225 0.371 10 0 BCAERO CC(C)[NH+]1CCC(NS(C)(=O)=O)CC1 ZINC000014252564 362849404 /nfs/dbraw/zinc/84/94/04/362849404.db2.gz XUWADNDONAZQEE-UHFFFAOYSA-N 1 0 220.338 0.408 10 0 BCAERO COC[C@H](C)[NH2+]CCCCC(=O)OC ZINC000308576155 347874197 /nfs/dbraw/zinc/87/41/97/347874197.db2.gz DMVMVSZWVWWSLD-VIFPVBQESA-N 1 0 203.282 0.954 10 0 BCAERO CCS(=O)(=O)N[C@@](C)(CC[NH3+])C(F)F ZINC000669381074 537993604 /nfs/dbraw/zinc/99/36/04/537993604.db2.gz XHLXNTLBNKZFJV-ZETCQYMHSA-N 1 0 230.280 0.298 10 0 BCAERO O=C(c1cnccn1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000027932735 347890958 /nfs/dbraw/zinc/89/09/58/347890958.db2.gz SGJNRCYIDCHCJZ-JTQLQIEISA-N 1 0 232.287 0.397 10 0 BCAERO Cc1ccccc1[C@@H](C)NC(=O)C(=O)NCC[NH3+] ZINC000049514521 179317310 /nfs/dbraw/zinc/31/73/10/179317310.db2.gz LZTGVHQUIJZVTN-SNVBAGLBSA-N 1 0 249.314 0.247 10 0 BCAERO COCC(=O)N[C@@H]1C[NH2+]CC[C@H]1CC(C)C ZINC000616570162 347914502 /nfs/dbraw/zinc/91/45/02/347914502.db2.gz MGBACRMQVGZXCX-WDEREUQCSA-N 1 0 228.336 0.773 10 0 BCAERO O=C([C@@H]1CC[NH2+]C1)N1CC[C@@H]2OCC[C@@H]2C1 ZINC000577375067 365937876 /nfs/dbraw/zinc/93/78/76/365937876.db2.gz ILLSLMBGKLPXOP-MXWKQRLJSA-N 1 0 224.304 0.233 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)N(C)[C@H]1C[C@@H](C(N)=O)C1 ZINC000638700074 352536371 /nfs/dbraw/zinc/53/63/71/352536371.db2.gz XHKYSZIPLFLJQP-KXUCPTDWSA-N 1 0 241.335 0.082 10 0 BCAERO [NH3+]C[C@H](N1C(=O)CCC1=O)C(F)(F)F ZINC000037169736 348024971 /nfs/dbraw/zinc/02/49/71/348024971.db2.gz RDQFPJKDNDCCEC-BYPYZUCNSA-N 1 0 210.155 0.025 10 0 BCAERO [NH3+]C[C@@H](N1C(=O)CCC1=O)C(F)(F)F ZINC000037169737 348024990 /nfs/dbraw/zinc/02/49/90/348024990.db2.gz RDQFPJKDNDCCEC-SCSAIBSYSA-N 1 0 210.155 0.025 10 0 BCAERO C[NH2+][C@H](C)C(=O)N1CCC[C@@H](C(=O)OC)C1 ZINC000594454971 348059012 /nfs/dbraw/zinc/05/90/12/348059012.db2.gz WRNGCRIKXVBPGZ-RKDXNWHRSA-N 1 0 228.292 0.006 10 0 BCAERO CC(C)[N@H+](C)CC(=O)N[C@H]1CCCC[C@H]1O ZINC000305099427 187387799 /nfs/dbraw/zinc/38/77/99/187387799.db2.gz AOQSOYULBRQWPO-WDEREUQCSA-N 1 0 228.336 0.746 10 0 BCAERO CC(C)(C)[NH2+]C[C@]1(O)CCNCC1(F)F ZINC000669381937 538000015 /nfs/dbraw/zinc/00/00/15/538000015.db2.gz AYNOKUHCDRNPPX-SECBINFHSA-N 1 0 222.279 0.734 10 0 BCAERO CN(C)c1nc([C@H]2CCC[NH2+]2)cc(=O)[nH]1 ZINC000669382347 538000607 /nfs/dbraw/zinc/00/06/07/538000607.db2.gz KLSGSIPIWUKAJG-SSDOTTSWSA-N 1 0 208.265 0.673 10 0 BCAERO Cc1cccnc1N1CCCN(CC[NH3+])CC1 ZINC000051040736 179388521 /nfs/dbraw/zinc/38/85/21/179388521.db2.gz ZJOQVQXTXZSTBM-UHFFFAOYSA-N 1 0 234.347 0.861 10 0 BCAERO Cc1cccnc1NC(=O)[C@H](C)N1CC[NH2+]CC1 ZINC000020521260 179392646 /nfs/dbraw/zinc/39/26/46/179392646.db2.gz KICKFLPSSFPIRQ-NSHDSACASA-N 1 0 248.330 0.622 10 0 BCAERO Cc1ccn(-c2nnc(C)c(C)c2C(N)=[NH2+])n1 ZINC000052884343 179398905 /nfs/dbraw/zinc/39/89/05/179398905.db2.gz CFCMQLCQPXATMU-UHFFFAOYSA-N 1 0 230.275 0.872 10 0 BCAERO C[C@H](C(=O)[O-])[N@H+]1CCCC[C@H]1[C@H](C)[NH3+] ZINC000251695841 362900042 /nfs/dbraw/zinc/90/00/42/362900042.db2.gz WVXPOHNWVFGNLF-YIZRAAEISA-N 1 0 200.282 0.661 10 0 BCAERO C[C@@H]1CC[N@H+]([C@H](C[NH3+])C(=O)[O-])[C@@H](C)C1 ZINC000251608742 362890566 /nfs/dbraw/zinc/89/05/66/362890566.db2.gz CAFKUZTWOREGRR-HRDYMLBCSA-N 1 0 200.282 0.519 10 0 BCAERO C[C@@H]1CCN(C(=O)[C@H]2CCOC2)C[C@H]1[NH3+] ZINC000251735706 362902110 /nfs/dbraw/zinc/90/21/10/362902110.db2.gz QXYSGCXPFCISKI-KXUCPTDWSA-N 1 0 212.293 0.219 10 0 BCAERO CO[C@@]1(CNC2=[NH+]CCS2)CCOC1 ZINC000159294664 349985195 /nfs/dbraw/zinc/98/51/95/349985195.db2.gz BSBDVVUEQREJFT-SECBINFHSA-N 1 0 216.306 0.484 10 0 BCAERO COC(=O)[C@@H]1O[C@@]12CCC[C@H]([NH+](C)C)C2 ZINC000669382788 538002823 /nfs/dbraw/zinc/00/28/23/538002823.db2.gz LZSNQOLVRYMJCG-ATZCPNFKSA-N 1 0 213.277 0.801 10 0 BCAERO CC(C)(C)[S@](=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000236738132 187396840 /nfs/dbraw/zinc/39/68/40/187396840.db2.gz HNDQXXMSHJEWIM-XXFAHNHDSA-N 1 0 246.376 0.402 10 0 BCAERO CC(C)[C@@H]([NH3+])CC(=O)N(C)[C@H]1C[C@@H](C(N)=O)C1 ZINC000638700073 352538936 /nfs/dbraw/zinc/53/89/36/352538936.db2.gz XHKYSZIPLFLJQP-AEJSXWLSSA-N 1 0 241.335 0.082 10 0 BCAERO CCCN1CCC(=O)[C@@]2(C[NH2+]C[C@@H]2C)C1 ZINC000725246170 538004441 /nfs/dbraw/zinc/00/44/41/538004441.db2.gz RAKAGSFUBMEEPT-JQWIXIFHSA-N 1 0 210.321 0.897 10 0 BCAERO CC[C@H]([NH2+]C)C(=O)N1CCCC[C@H]1C(=O)OC ZINC000595951400 348403713 /nfs/dbraw/zinc/40/37/13/348403713.db2.gz KIPVIRYODAKDHQ-UWVGGRQHSA-N 1 0 242.319 0.539 10 0 BCAERO CCOC(=O)CC[C@@H](O)C[NH2+]C1CC(CO)C1 ZINC000596067018 348437028 /nfs/dbraw/zinc/43/70/28/348437028.db2.gz JGPVAICEUDIYSK-VQXHTEKXSA-N 1 0 245.319 0.051 10 0 BCAERO C[C@H]1C[NH2+]C[C@@]12CN(CC1CC1)CCC2=O ZINC000725246176 538005214 /nfs/dbraw/zinc/00/52/14/538005214.db2.gz RECVREKVRVPUGT-GXFFZTMASA-N 1 0 222.332 0.897 10 0 BCAERO C[C@@H]1C[NH2+][C@@H](C)[C@H](C)N1S(C)(=O)=O ZINC000401198642 348589285 /nfs/dbraw/zinc/58/92/85/348589285.db2.gz BXZHEZDGLYDPNC-CSMHCCOUSA-N 1 0 206.311 0.017 10 0 BCAERO CC[NH2+]C[C@H](O)C(=O)c1ccc(F)cc1 ZINC000669383582 538010569 /nfs/dbraw/zinc/01/05/69/538010569.db2.gz UWZGJCGZXKZESH-JTQLQIEISA-N 1 0 211.236 0.979 10 0 BCAERO [NH3+][C@H]1C[C@]12CNc1cc(N3CCOCC3)ccc12 ZINC000725247625 538013338 /nfs/dbraw/zinc/01/33/38/538013338.db2.gz SLVATJVQRSSGNK-UONOGXRCSA-N 1 0 245.326 0.918 10 0 BCAERO C[C@@H]1CN([C@H]2CCC[N@H+](C)C2)CCC1=O ZINC000251824895 362930829 /nfs/dbraw/zinc/93/08/29/362930829.db2.gz PEASEVIYIYXOBV-MNOVXSKESA-N 1 0 210.321 0.992 10 0 BCAERO CCCCOCCNC(=O)[C@@H](C)[NH2+]C ZINC000054076049 348878056 /nfs/dbraw/zinc/87/80/56/348878056.db2.gz YKNQGAWSDYIPMG-SECBINFHSA-N 1 0 202.298 0.527 10 0 BCAERO C[NH2+][C@H](C)C(=O)NCCCc1c[nH]nc1C ZINC000054076881 348879883 /nfs/dbraw/zinc/87/98/83/348879883.db2.gz GUGHBZRNRQNZON-SECBINFHSA-N 1 0 224.308 0.375 10 0 BCAERO CC[C@@H]1CO[C@H](C)CN1C(=O)[C@@H](C)[NH2+]C ZINC000054072381 348888239 /nfs/dbraw/zinc/88/82/39/348888239.db2.gz UNLZDDLINLHMAM-OPRDCNLKSA-N 1 0 214.309 0.620 10 0 BCAERO C[NH+](C)CCNC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054290490 348962086 /nfs/dbraw/zinc/96/20/86/348962086.db2.gz SMQDTLNQKRVNBF-JTQLQIEISA-N 1 0 213.325 0.054 10 0 BCAERO [NH3+]Cc1ncccc1NC(=O)[C@H]1CCOC1 ZINC000616573477 349071511 /nfs/dbraw/zinc/07/15/11/349071511.db2.gz SJEFGRXESBXVKO-QMMMGPOBSA-N 1 0 221.260 0.515 10 0 BCAERO CC(C)C[C@H]([NH3+])c1nnc2c(=O)n(C)ccn21 ZINC000616573629 349072139 /nfs/dbraw/zinc/07/21/39/349072139.db2.gz IHCLQIUJQJATHR-QMMMGPOBSA-N 1 0 235.291 0.474 10 0 BCAERO CC[C@H](C)[C@H]([NH3+])c1nnc2c(=O)n(C)ccn21 ZINC000616574869 349082144 /nfs/dbraw/zinc/08/21/44/349082144.db2.gz ZIYMUFZGBNRECV-YUMQZZPRSA-N 1 0 235.291 0.474 10 0 BCAERO CC[C@H]1CCN(C(=O)CC(=O)OC)C[C@H]1[NH3+] ZINC000616572603 349061909 /nfs/dbraw/zinc/06/19/09/349061909.db2.gz WXDCXVAVVRTIJZ-DTWKUNHWSA-N 1 0 228.292 0.135 10 0 BCAERO CC(=O)N1CCC[C@H]1c1nc(C)ncc1C[NH3+] ZINC000616578351 349124619 /nfs/dbraw/zinc/12/46/19/349124619.db2.gz LPPKTGZMWGYWMP-NSHDSACASA-N 1 0 234.303 0.927 10 0 BCAERO C[C@H](CO)[NH2+][C@@H]1C2CCN(CC2)C12CC2 ZINC000616578649 349126168 /nfs/dbraw/zinc/12/61/68/349126168.db2.gz PAMZZMWPSWLFCZ-MWLCHTKSSA-N 1 0 210.321 0.584 10 0 BCAERO COCC[NH2+][C@H]1C2CCN(CC2)C12CC2 ZINC000616579230 349136672 /nfs/dbraw/zinc/13/66/72/349136672.db2.gz RLYGIVVMAOBXGA-NSHDSACASA-N 1 0 210.321 0.849 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)O1 ZINC000248652010 349144035 /nfs/dbraw/zinc/14/40/35/349144035.db2.gz VEBMLCWQXQXLJT-YBXAARCKSA-N 1 0 238.331 0.750 10 0 BCAERO C[C@H]([NH3+])C[C@H](C)n1cc(S(C)(=O)=O)cn1 ZINC000725252050 538032086 /nfs/dbraw/zinc/03/20/86/538032086.db2.gz JUZMOSXEMVLVLK-YUMQZZPRSA-N 1 0 231.321 0.585 10 0 BCAERO Cc1cc(N2CCN(C)C[C@H]2C[NH3+])nc(C)n1 ZINC000250968385 349181230 /nfs/dbraw/zinc/18/12/30/349181230.db2.gz SBOVCHCJLJSXQP-LLVKDONJSA-N 1 0 235.335 0.173 10 0 BCAERO CC[C@@H](CC[NH3+])n1cc(S(C)(=O)=O)cn1 ZINC000725251915 538032208 /nfs/dbraw/zinc/03/22/08/538032208.db2.gz HWHBCHAYQWPXRQ-QMMMGPOBSA-N 1 0 231.321 0.587 10 0 BCAERO O=C(Nc1ccc[nH]c1=O)[C@@H]1CC[NH2+]C1 ZINC000238711108 490230917 /nfs/dbraw/zinc/23/09/17/490230917.db2.gz ZHBTWQIILDKKRR-SSDOTTSWSA-N 1 0 207.233 0.335 10 0 BCAERO C[C@H](C[NH3+])CNC(=O)[C@@H]1CC[C@H](C)O1 ZINC000251732559 349187298 /nfs/dbraw/zinc/18/72/98/349187298.db2.gz IZKXVSQRTTUOIO-VGMNWLOBSA-N 1 0 200.282 0.265 10 0 BCAERO CC[C@H]([NH3+])[C@@H](C)n1cc(S(C)(=O)=O)cn1 ZINC000725252578 538033236 /nfs/dbraw/zinc/03/32/36/538033236.db2.gz NPTWTDZAZUAZAC-APPZFPTMSA-N 1 0 231.321 0.585 10 0 BCAERO CS(=O)(=O)c1cnn([C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000725251487 538029210 /nfs/dbraw/zinc/02/92/10/538029210.db2.gz ADKDLOOQUNDDFE-DTWKUNHWSA-N 1 0 243.332 0.729 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)N[C@](C)(C[NH3+])C2CC2)O1 ZINC000252688065 349210250 /nfs/dbraw/zinc/21/02/50/349210250.db2.gz NBXUPCQOZHYNON-HLUHBDAQSA-N 1 0 226.320 0.798 10 0 BCAERO CC[C@@H]([NH2+]C)[C@@H](C)n1cc(S(C)(=O)=O)cn1 ZINC000725252845 538034472 /nfs/dbraw/zinc/03/44/72/538034472.db2.gz OQBKBDTYMRXHMC-PSASIEDQSA-N 1 0 245.348 0.846 10 0 BCAERO CC(C)(C[NH3+])CCn1cc(S(C)(=O)=O)cn1 ZINC000725253231 538035988 /nfs/dbraw/zinc/03/59/88/538035988.db2.gz RUKSDUWLTOGYPP-UHFFFAOYSA-N 1 0 245.348 0.662 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)O1 ZINC000253195772 349228140 /nfs/dbraw/zinc/22/81/40/349228140.db2.gz RXWQBSOWZXGHCN-DDHJBXDOSA-N 1 0 240.347 0.997 10 0 BCAERO C[NH2+]C[C@]1(O)CCCN(c2cnccn2)C1 ZINC000616580027 349237843 /nfs/dbraw/zinc/23/78/43/349237843.db2.gz STJBWPMKHMWQGZ-LLVKDONJSA-N 1 0 222.292 0.027 10 0 BCAERO CCC[NH2+]CCn1cc(S(C)(=O)=O)cn1 ZINC000725252503 538033303 /nfs/dbraw/zinc/03/33/03/538033303.db2.gz MLPBNLPBWVPISJ-UHFFFAOYSA-N 1 0 231.321 0.286 10 0 BCAERO C[C@H](C[NH3+])N(C)c1ncnc2[nH]ccc21 ZINC000420184570 192171287 /nfs/dbraw/zinc/17/12/87/192171287.db2.gz JRKFBSGXOCOMKZ-SSDOTTSWSA-N 1 0 205.265 0.741 10 0 BCAERO CS(=O)(=O)c1cnn(C[C@@H]([NH3+])C2CC2)c1 ZINC000725253607 538037648 /nfs/dbraw/zinc/03/76/48/538037648.db2.gz YANXZSVLCOZPNH-SECBINFHSA-N 1 0 229.305 0.024 10 0 BCAERO C[C@@H]1CC[NH2+]C[C@@H]1n1cc(S(C)(=O)=O)cn1 ZINC000725253365 538037671 /nfs/dbraw/zinc/03/76/71/538037671.db2.gz UEPNLPHCXHUBBK-SCZZXKLOSA-N 1 0 243.332 0.457 10 0 BCAERO C[C@@H](NC(=O)[C@H]1CCC[C@H]([NH3+])C1)C(=O)N(C)C ZINC000055087741 349299571 /nfs/dbraw/zinc/29/95/71/349299571.db2.gz TZXAZWNYNALGDR-UTLUCORTSA-N 1 0 241.335 0.097 10 0 BCAERO Cc1n[nH]c(C)c1NC(=O)C(C)(C)C[NH3+] ZINC000044751708 179825846 /nfs/dbraw/zinc/82/58/46/179825846.db2.gz BYNVAOHSCHGELA-UHFFFAOYSA-N 1 0 210.281 0.950 10 0 BCAERO CN1CCO[C@H](C[N@H+](C)CC2(O)CCCC2)C1 ZINC000123737983 490257635 /nfs/dbraw/zinc/25/76/35/490257635.db2.gz YKXXEYJTTMDQDF-LBPRGKRZSA-N 1 0 242.363 0.554 10 0 BCAERO CCC[C@H](Cn1cc(S(C)(=O)=O)cn1)[NH2+]C ZINC000725253681 538038961 /nfs/dbraw/zinc/03/89/61/538038961.db2.gz YVGRMXKQHKIHLO-SECBINFHSA-N 1 0 245.348 0.675 10 0 BCAERO CCC[C@@H](Cn1cc(S(C)(=O)=O)cn1)[NH2+]C ZINC000725253683 538039346 /nfs/dbraw/zinc/03/93/46/538039346.db2.gz YVGRMXKQHKIHLO-VIFPVBQESA-N 1 0 245.348 0.675 10 0 BCAERO Cc1nc(C)n(C[C@@H]2CC[C@@H](C[NH3+])O2)n1 ZINC000052574427 179922737 /nfs/dbraw/zinc/92/27/37/179922737.db2.gz ITSODSOSMZUPSL-UWVGGRQHSA-N 1 0 210.281 0.401 10 0 BCAERO Cc1nc(CN(C)[C@H]2CCC[NH2+]CC2)no1 ZINC000098095529 179948826 /nfs/dbraw/zinc/94/88/26/179948826.db2.gz LJBHBYHZOGFPKB-JTQLQIEISA-N 1 0 224.308 0.952 10 0 BCAERO C[C@@H]1CCCN(c2ccc(C#N)nn2)[C@H]1C[NH3+] ZINC000396979049 350023424 /nfs/dbraw/zinc/02/34/24/350023424.db2.gz RBYKPGSHQANUBB-KOLCDFICSA-N 1 0 231.303 0.912 10 0 BCAERO C[C@]1(C(=O)NCc2cc[nH]n2)CCC[NH2+]1 ZINC000070619099 350027933 /nfs/dbraw/zinc/02/79/33/350027933.db2.gz YCUUEGHKFYJYBA-SNVBAGLBSA-N 1 0 208.265 0.168 10 0 BCAERO C[C@]1(C(=O)N2CCCOCC2)CCC[NH2+]1 ZINC000070619339 350029716 /nfs/dbraw/zinc/02/97/16/350029716.db2.gz UOTYUGNIOLGWGE-LLVKDONJSA-N 1 0 212.293 0.377 10 0 BCAERO C[C@H]1CN(c2cc(C#N)cnn2)C[C@@H]1[NH+](C)C ZINC000397003541 350034386 /nfs/dbraw/zinc/03/43/86/350034386.db2.gz VCFPSVIHOSEYGT-ONGXEEELSA-N 1 0 231.303 0.735 10 0 BCAERO CC(C)N(C)C(=O)CN1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000069629492 191005369 /nfs/dbraw/zinc/00/53/69/191005369.db2.gz FTXPIKJOOYQHHN-QWRGUYRKSA-N 1 0 227.352 0.535 10 0 BCAERO COCCOC[C@H]([NH3+])CC(F)(F)F ZINC000725255246 538050336 /nfs/dbraw/zinc/05/03/36/538050336.db2.gz HINYBJPILDYYJM-ZCFIWIBFSA-N 1 0 201.188 0.929 10 0 BCAERO CN1C(=O)CC[C@@H]([NH2+]C[C@H](O)C(C)(C)C)C1=O ZINC000302417491 350088809 /nfs/dbraw/zinc/08/88/09/350088809.db2.gz QHRJVEGXOBVRKN-BDAKNGLRSA-N 1 0 242.319 0.130 10 0 BCAERO Cn1nnnc1NC[C@H]1[NH2+]CCc2ccccc21 ZINC000302620074 350093566 /nfs/dbraw/zinc/09/35/66/350093566.db2.gz ZVLQHZJGEAXWLL-LLVKDONJSA-N 1 0 244.302 0.509 10 0 BCAERO Cc1[nH+]c(N[C@H]2CCS(=O)(=O)C2)ccc1N ZINC000082550064 180025086 /nfs/dbraw/zinc/02/50/86/180025086.db2.gz LOGPJXNECNDSBD-QMMMGPOBSA-N 1 0 241.316 0.571 10 0 BCAERO CC(=O)OC[C@@]1(CC(=O)N(C)C)CCC[NH2+]1 ZINC000616591571 350096035 /nfs/dbraw/zinc/09/60/35/350096035.db2.gz NTUOZLJBBQXTRT-NSHDSACASA-N 1 0 228.292 0.150 10 0 BCAERO COC[C@@H](C)C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000103435326 323248259 /nfs/dbraw/zinc/24/82/59/323248259.db2.gz ZMPKLIBMTGZDDY-ZJUUUORDSA-N 1 0 228.336 0.868 10 0 BCAERO Cn1nccc1-c1cc(=O)[nH]c(CC[NH3+])n1 ZINC000725257002 538052632 /nfs/dbraw/zinc/05/26/32/538052632.db2.gz DQVRSQPQAUOWBK-UHFFFAOYSA-N 1 0 219.248 0.084 10 0 BCAERO Cc1nc([C@]2(N)CC[N@@H+](C(C)C)C2)no1 ZINC000045660102 180060243 /nfs/dbraw/zinc/06/02/43/180060243.db2.gz LQXNJFAGPAMQSQ-JTQLQIEISA-N 1 0 210.281 0.646 10 0 BCAERO [NH3+]Cc1cc(Cl)cc2c1C[C@@H](C(=O)[O-])[NH2+]C2 ZINC000725255795 538053153 /nfs/dbraw/zinc/05/31/53/538053153.db2.gz MVVLRSIKUCQUHR-JTQLQIEISA-N 1 0 240.690 0.898 10 0 BCAERO [NH3+]Cc1cc(Cl)cc2c1C[C@H](C(=O)[O-])[NH2+]C2 ZINC000725255796 538053864 /nfs/dbraw/zinc/05/38/64/538053864.db2.gz MVVLRSIKUCQUHR-SNVBAGLBSA-N 1 0 240.690 0.898 10 0 BCAERO COc1cc(C[NH3+])ccc1N(C)S(C)(=O)=O ZINC000725255942 538054498 /nfs/dbraw/zinc/05/44/98/538054498.db2.gz QBPZFMDPHMXGMN-UHFFFAOYSA-N 1 0 244.316 0.550 10 0 BCAERO Cn1ncc([N+](=O)[O-])c1N1CCC[NH2+]CC1 ZINC000219634363 350134334 /nfs/dbraw/zinc/13/43/34/350134334.db2.gz JKJXEABTWIEDLF-UHFFFAOYSA-N 1 0 225.252 0.128 10 0 BCAERO COc1ncccc1C(=O)N(CC[NH3+])C1CC1 ZINC000061442395 187439255 /nfs/dbraw/zinc/43/92/55/187439255.db2.gz ZZDFUNIZFVDXGO-UHFFFAOYSA-N 1 0 235.287 0.654 10 0 BCAERO CCC[C@@]1(C)[C@@H]([NH3+])CS(=O)(=O)N1C ZINC000725256341 538056756 /nfs/dbraw/zinc/05/67/56/538056756.db2.gz FXPDVLAIMOOQKE-YUMQZZPRSA-N 1 0 206.311 0.148 10 0 BCAERO COc1ccc(C[NH3+])c2c1C[NH2+][C@@H](C(=O)[O-])C2 ZINC000725256243 538056784 /nfs/dbraw/zinc/05/67/84/538056784.db2.gz YPFVHWRMGBYSBI-SNVBAGLBSA-N 1 0 236.271 0.253 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N[C@H]1CO[C@H](C)C1 ZINC000402333063 350179483 /nfs/dbraw/zinc/17/94/83/350179483.db2.gz OBUAUPSDFIWKOU-HLTSFMKQSA-N 1 0 200.282 0.407 10 0 BCAERO Cc1ncc(Cn2cc(C[NH3+])nn2)s1 ZINC000062337310 180162526 /nfs/dbraw/zinc/16/25/26/180162526.db2.gz OMLVBIZPGSZVBS-UHFFFAOYSA-N 1 0 209.278 0.550 10 0 BCAERO Cc1ncc(N)cc1C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000038095274 180164306 /nfs/dbraw/zinc/16/43/06/180164306.db2.gz CAOADXVHCPWFER-JTQLQIEISA-N 1 0 248.330 0.654 10 0 BCAERO Cc1ncc(C[N@@H+]2C[C@H](O)C[C@@H]2CO)s1 ZINC000184005199 180147013 /nfs/dbraw/zinc/14/70/13/180147013.db2.gz REFYHOFFDDVGIB-RKDXNWHRSA-N 1 0 228.317 0.379 10 0 BCAERO CC[C@H]([NH3+])Cc1nc(-c2ccnn2C)cc(=O)[nH]1 ZINC000725257847 538069349 /nfs/dbraw/zinc/06/93/49/538069349.db2.gz YQANMCKTYBCVDP-QMMMGPOBSA-N 1 0 247.302 0.863 10 0 BCAERO Cn1nccc1-c1cc(=O)[nH]c([C@@H]([NH3+])C2CC2)n1 ZINC000725257862 538069264 /nfs/dbraw/zinc/06/92/64/538069264.db2.gz ZGSDBQAYPFPYAY-NSHDSACASA-N 1 0 245.286 0.993 10 0 BCAERO Cc1nccc(C[NH2+]C[C@@H]2CCOC2)n1 ZINC000038037457 180190136 /nfs/dbraw/zinc/19/01/36/180190136.db2.gz GARMKMJFLFMDEI-JTQLQIEISA-N 1 0 207.277 0.911 10 0 BCAERO Cc1nccc(C[NH2+][C@H](C)CC(N)=O)n1 ZINC000129289799 180191273 /nfs/dbraw/zinc/19/12/73/180191273.db2.gz KAEJXKJTCGOWJJ-SSDOTTSWSA-N 1 0 208.265 0.139 10 0 BCAERO Cc1nccc(NCCN2CC[NH2+]CC2)n1 ZINC000054936745 180197981 /nfs/dbraw/zinc/19/79/81/180197981.db2.gz KZXBYEZSDCSUST-UHFFFAOYSA-N 1 0 221.308 0.102 10 0 BCAERO Cc1nn(C)cc1C[NH2+]C[C@H]1CCC[C@H]1O ZINC000126061344 191081527 /nfs/dbraw/zinc/08/15/27/191081527.db2.gz UCCFILHHCLRBMV-ZYHUDNBSSA-N 1 0 223.320 0.979 10 0 BCAERO S=C(Nc1ccnn1C1C[NH2+]C1)NC1CC1 ZINC000725258558 538076513 /nfs/dbraw/zinc/07/65/13/538076513.db2.gz SIRFWAUEXJXHRG-UHFFFAOYSA-N 1 0 237.332 0.476 10 0 BCAERO COC1(OC)CC[C@H](O)C[C@H]1CC[NH3+] ZINC000725261657 538086650 /nfs/dbraw/zinc/08/66/50/538086650.db2.gz AOSFZDBTPGLOQA-BDAKNGLRSA-N 1 0 203.282 0.485 10 0 BCAERO Cc1nccn1C[C@@H]1CCC[N@@H+]1CC(N)=O ZINC000178314405 180265747 /nfs/dbraw/zinc/26/57/47/180265747.db2.gz HOPDHNCTFKJYHX-JTQLQIEISA-N 1 0 222.292 0.141 10 0 BCAERO CNS(=O)(=O)c1ccc(C2(C[NH3+])CC2)cc1 ZINC000212313384 538087829 /nfs/dbraw/zinc/08/78/29/538087829.db2.gz BFEFMUXVOFUODY-UHFFFAOYSA-N 1 0 240.328 0.585 10 0 BCAERO Cc1ncn([C@@H](C[NH3+])c2cnn(C)c2)c1C ZINC000051925759 180288737 /nfs/dbraw/zinc/28/87/37/180288737.db2.gz WLUVHTBWOJCPIB-NSHDSACASA-N 1 0 219.292 0.782 10 0 BCAERO Cn1ccc(CN2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)n1 ZINC000309347458 350326999 /nfs/dbraw/zinc/32/69/99/350326999.db2.gz MLPDPXHITFJLIP-ZMLRMANQSA-N 1 0 220.320 0.589 10 0 BCAERO O=S1(=O)CC[C@H](C[NH2+][C@@H]2CCSC2)C1 ZINC000038082562 350305621 /nfs/dbraw/zinc/30/56/21/350305621.db2.gz XTPFLHCDNSLSIV-RKDXNWHRSA-N 1 0 235.374 0.516 10 0 BCAERO COC1(OC)CC[C@H](CO)C[C@H]1CC[NH3+] ZINC000725262000 538088140 /nfs/dbraw/zinc/08/81/40/538088140.db2.gz QGEBESZPDAQJCW-VHSXEESVSA-N 1 0 217.309 0.733 10 0 BCAERO Cc1nccnc1S(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000095068743 180279589 /nfs/dbraw/zinc/27/95/89/180279589.db2.gz KGTCSHLMPPVHBX-VIFPVBQESA-N 1 0 241.316 0.311 10 0 BCAERO OC[C@H]1C[C@H](O)CN1Cc1cncc(Cl)c1 ZINC000621271843 350321804 /nfs/dbraw/zinc/32/18/04/350321804.db2.gz VOHBJZOQYOXWQX-MNOVXSKESA-N 1 0 242.706 0.663 10 0 BCAERO COC(=O)C(C)(C)NC(=O)[C@H]1CCC[NH2+][C@H]1C ZINC000384430143 350323574 /nfs/dbraw/zinc/32/35/74/350323574.db2.gz VOSKJPAYPLMSPL-IUCAKERBSA-N 1 0 242.319 0.442 10 0 BCAERO Cc1nccnc1[S@@](=O)C[C@@H]1CCC[NH2+]1 ZINC000095068791 180283013 /nfs/dbraw/zinc/28/30/13/180283013.db2.gz LOWJHGORXZVWEC-BJOHPYRUSA-N 1 0 225.317 0.645 10 0 BCAERO Cc1nccnc1[S@@](=O)[C@@H]1CCC[NH2+]C1 ZINC000095068781 180283568 /nfs/dbraw/zinc/28/35/68/180283568.db2.gz SUUZZNFFMRXMSS-RFAUZJTJSA-N 1 0 225.317 0.645 10 0 BCAERO Cc1nccnc1[S@](=O)C[C@H]1CCC[NH2+]C1 ZINC000095068798 180283678 /nfs/dbraw/zinc/28/36/78/180283678.db2.gz UFMDNADIPVDCIE-QFYYESIMSA-N 1 0 239.344 0.892 10 0 BCAERO NC(=O)[C@@H]1CCCN1[C@@H]1CCCCC1=O ZINC000223754929 350287009 /nfs/dbraw/zinc/28/70/09/350287009.db2.gz QWFXXHMOUPPFIV-BDAKNGLRSA-N 1 0 210.277 0.448 10 0 BCAERO OCC[NH2+]C[C@@H](O)COCc1ccccc1 ZINC000037850442 350287734 /nfs/dbraw/zinc/28/77/34/350287734.db2.gz GTGVZKBKSXRSAQ-GFCCVEGCSA-N 1 0 225.288 0.146 10 0 BCAERO C[C@@](C(=O)[O-])(C1CC1)[N@@H+]1CCC[NH2+]CC1 ZINC000037958985 350293718 /nfs/dbraw/zinc/29/37/18/350293718.db2.gz ORIATNLDVGPORV-NSHDSACASA-N 1 0 212.293 0.535 10 0 BCAERO CC(C)(C)[C@@H](O)C[NH2+]C[C@@H](O)COCC1CC1 ZINC000324237557 350293951 /nfs/dbraw/zinc/29/39/51/350293951.db2.gz AGXSLUXIVBNNBH-NEPJUHHUSA-N 1 0 245.363 0.771 10 0 BCAERO Cc1ncoc1C(=O)N1CCC[C@H]1C[NH3+] ZINC000132876294 180298018 /nfs/dbraw/zinc/29/80/18/180298018.db2.gz AYJCFOSOTMHALW-QMMMGPOBSA-N 1 0 209.249 0.546 10 0 BCAERO COCCNC(=O)N[C@]12CC[NH2+][C@H]1CCCC2 ZINC000725264169 538090726 /nfs/dbraw/zinc/09/07/26/538090726.db2.gz FEZXIFKZEOJQJT-CMPLNLGQSA-N 1 0 241.335 0.607 10 0 BCAERO Cc1ncoc1C(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000132784298 180299576 /nfs/dbraw/zinc/29/95/76/180299576.db2.gz KSWAEMKNRFFFGW-RKDXNWHRSA-N 1 0 223.276 0.840 10 0 BCAERO Cc1ncsc1C(=O)NCC[C@@H](C)[NH3+] ZINC000063170408 180305281 /nfs/dbraw/zinc/30/52/81/180305281.db2.gz BNEAIBSPUNLZMN-ZCFIWIBFSA-N 1 0 213.306 0.919 10 0 BCAERO CSCC[C@H]([NH3+])C(=O)NCC[C@@H]1CCCO1 ZINC000040469100 350365759 /nfs/dbraw/zinc/36/57/59/350365759.db2.gz XPTVHWMYAJIDRH-UWVGGRQHSA-N 1 0 246.376 0.752 10 0 BCAERO Cc1ncsc1[C@H](C)[NH2+][C@@H](C)C(N)=O ZINC000037261523 180327728 /nfs/dbraw/zinc/32/77/28/180327728.db2.gz CMSUUNNFOIXUDQ-BQBZGAKWSA-N 1 0 213.306 0.976 10 0 BCAERO COC(=O)CCNC(=O)C1CCC([NH3+])CC1 ZINC000040859746 350401366 /nfs/dbraw/zinc/40/13/66/350401366.db2.gz DEGUCSZYNUPOOP-UHFFFAOYSA-N 1 0 228.292 0.183 10 0 BCAERO Cc1nn(C)c(C)c1[C@H]1[C@H](C[NH3+])CC(=O)N1C ZINC000098210284 180349923 /nfs/dbraw/zinc/34/99/23/180349923.db2.gz HBSGPEVWESZUHC-JOYOIKCWSA-N 1 0 236.319 0.515 10 0 BCAERO Cc1nn(C)c(N2C[C@@H](C)OC[C@@H]2C)c1C[NH3+] ZINC000035788620 180356154 /nfs/dbraw/zinc/35/61/54/180356154.db2.gz WXRMPWPXNSLGCJ-DTWKUNHWSA-N 1 0 238.335 0.801 10 0 BCAERO OCC[N@@H+]1CCO[C@H](c2cccnc2)CC1 ZINC000616592539 350465609 /nfs/dbraw/zinc/46/56/09/350465609.db2.gz FNWSEIUCOPEHNF-LBPRGKRZSA-N 1 0 222.288 0.837 10 0 BCAERO C[C@H](O)CNC(=O)[C@]1(C)CCC[C@H]1[NH3+] ZINC000227319362 350491820 /nfs/dbraw/zinc/49/18/20/350491820.db2.gz QPLFHOJLYVBVDD-QXFUBDJGSA-N 1 0 200.282 0.001 10 0 BCAERO CS(=O)(=O)N1c2ccccc2CC[C@@H]1C[NH3+] ZINC000616592711 350469487 /nfs/dbraw/zinc/46/94/87/350469487.db2.gz GFJPGSOJRRZRQA-SNVBAGLBSA-N 1 0 240.328 0.726 10 0 BCAERO C[C@H]([NH3+])CCNC(=O)c1cn2c(n1)CCCC2 ZINC000422787202 192468351 /nfs/dbraw/zinc/46/83/51/192468351.db2.gz RJJZIIHTVWBFPY-VIFPVBQESA-N 1 0 236.319 0.687 10 0 BCAERO Cc1nn(Cc2nccn2C)c(C)c1C[NH3+] ZINC000036868304 180391985 /nfs/dbraw/zinc/39/19/85/180391985.db2.gz WQQDWPVNQDIAOG-UHFFFAOYSA-N 1 0 219.292 0.740 10 0 BCAERO OCC[C@@H]1CC[N@H+](CCCn2ccnc2)C1 ZINC000163186150 350512740 /nfs/dbraw/zinc/51/27/40/350512740.db2.gz DPMSGMDMODZWKV-LBPRGKRZSA-N 1 0 223.320 0.978 10 0 BCAERO Cc1nn(CC[C@H]([NH3+])C(N)=O)c(C)c1C ZINC000062536556 180389780 /nfs/dbraw/zinc/38/97/80/180389780.db2.gz XORQTZRZFVFAIQ-VIFPVBQESA-N 1 0 210.281 0.011 10 0 BCAERO Cc1nn(C[C@@H](C)C(N)=O)c(C)c1C[NH3+] ZINC000036868320 180390833 /nfs/dbraw/zinc/39/08/33/180390833.db2.gz MIJZRFCPLNYYLC-ZCFIWIBFSA-N 1 0 210.281 0.080 10 0 BCAERO COc1ccc(C(=O)N(C)C2C[NH2+]C2)c(F)c1 ZINC000228768022 191107752 /nfs/dbraw/zinc/10/77/52/191107752.db2.gz JUIHRLJWUQYLFD-UHFFFAOYSA-N 1 0 238.262 0.878 10 0 BCAERO CCn1ncnc1-c1cnnn1[C@@H]1CC[NH2+]C1 ZINC000725266200 538095400 /nfs/dbraw/zinc/09/54/00/538095400.db2.gz WJRGWCBDLLMHIV-MRVPVSSYSA-N 1 0 233.279 0.091 10 0 BCAERO CCOC(=O)c1n[nH]nc1[C@@H]1CC[NH2+][C@H]1CC ZINC000725266487 538094755 /nfs/dbraw/zinc/09/47/55/538094755.db2.gz COCWPHKHOZGLAC-SFYZADRCSA-N 1 0 238.291 0.837 10 0 BCAERO CCOC(=O)c1n[nH]nc1[C@H]1[C@@H]2C[NH2+]CC[C@@H]21 ZINC000725266497 538095426 /nfs/dbraw/zinc/09/54/26/538095426.db2.gz DOJXCOZATJDUQT-XLPZGREQSA-N 1 0 236.275 0.304 10 0 BCAERO Cc1ccccc1C[C@]1(CO)C[NH2+]CCO1 ZINC000616593455 350583527 /nfs/dbraw/zinc/58/35/27/350583527.db2.gz WEJBSBPXZQSQNG-CYBMUJFWSA-N 1 0 221.300 0.888 10 0 BCAERO C[C@H](C(N)=S)[N@@H+]1CCCO[C@H](C)C1 ZINC000251862513 362969401 /nfs/dbraw/zinc/96/94/01/362969401.db2.gz SPVKLGLERKJHLS-HTQZYQBOSA-N 1 0 202.323 0.772 10 0 BCAERO NC(=O)c1ccccc1[C@H]1CC[NH2+]CCO1 ZINC000616595224 350605780 /nfs/dbraw/zinc/60/57/80/350605780.db2.gz UVZQHYGCZOFRAS-LLVKDONJSA-N 1 0 220.272 0.837 10 0 BCAERO Cc1nnc2c(N[C@@H]3CCC[NH2+][C@@H]3C)nccn12 ZINC000229610552 180447009 /nfs/dbraw/zinc/44/70/09/180447009.db2.gz SDAHESMTDYCASA-PSASIEDQSA-N 1 0 246.318 0.985 10 0 BCAERO Nc1ncccc1[C@H]1CCN(CC[NH3+])CCO1 ZINC000616595553 350609083 /nfs/dbraw/zinc/60/90/83/350609083.db2.gz NGYVXAZDUVWBLY-LLVKDONJSA-N 1 0 236.319 0.386 10 0 BCAERO Cc1nnc2n1C[C@@H]([NH2+][C@H]1CCSC1)CC2 ZINC000309869152 180449827 /nfs/dbraw/zinc/44/98/27/180449827.db2.gz PTZPJMIGDRKTGM-UWVGGRQHSA-N 1 0 238.360 0.996 10 0 BCAERO Cc1nnsc1C(=O)N[C@H]1CCCC[C@@H]1[NH3+] ZINC000038048629 180456046 /nfs/dbraw/zinc/45/60/46/180456046.db2.gz KQYOQTLLJQSJBR-YUMQZZPRSA-N 1 0 240.332 0.846 10 0 BCAERO Cc1noc(-c2ccc(N3CC[C@@H]([NH3+])C3)nn2)n1 ZINC000070458428 180459510 /nfs/dbraw/zinc/45/95/10/180459510.db2.gz GEBNEDSJPWPMGY-MRVPVSSYSA-N 1 0 246.274 0.372 10 0 BCAERO OCC[N@@H+]1CCO[C@@H](c2ccccn2)CC1 ZINC000616596244 350633517 /nfs/dbraw/zinc/63/35/17/350633517.db2.gz UAOINIOMYOANOG-GFCCVEGCSA-N 1 0 222.288 0.837 10 0 BCAERO CC(C)[C@H](C)N(C)C(=O)[C@@H]1C[NH2+]CCO1 ZINC000043708122 187461789 /nfs/dbraw/zinc/46/17/89/187461789.db2.gz XGSMHJBTBHJHRE-UWVGGRQHSA-N 1 0 214.309 0.478 10 0 BCAERO C[C@@H]1CN(c2cc(CO)ccn2)C[C@H]1[NH+](C)C ZINC000251885923 362975340 /nfs/dbraw/zinc/97/53/40/362975340.db2.gz VDTWLIGNHNJJDX-ZYHUDNBSSA-N 1 0 235.331 0.960 10 0 BCAERO COC[C@H](C)[NH2+][C@@H]1CCN(C(C)=O)C[C@@H]1C ZINC000309551621 350748836 /nfs/dbraw/zinc/74/88/36/350748836.db2.gz ILAPCJHGDZSYTF-JBLDHEPKSA-N 1 0 228.336 0.868 10 0 BCAERO [NH3+]C[C@H]1CCNc2c(Br)cnn21 ZINC000236186078 350731231 /nfs/dbraw/zinc/73/12/31/350731231.db2.gz NEDOFKWKKZWIHQ-RXMQYKEDSA-N 1 0 231.097 0.961 10 0 BCAERO Nc1ccc(NC[C@@H](O)C(F)F)nc1 ZINC000236352429 350735095 /nfs/dbraw/zinc/73/50/95/350735095.db2.gz MGIZNECPPCQOHU-ZCFIWIBFSA-N 1 0 203.192 0.702 10 0 BCAERO OCC[N@@H+]1CC[C@H](c2cccc(CO)c2)C1 ZINC000616613905 350817701 /nfs/dbraw/zinc/81/77/01/350817701.db2.gz VJIXISNJBPYPFP-ZDUSSCGKSA-N 1 0 221.300 0.961 10 0 BCAERO CN1CC[NH2+][C@@H](c2ccccc2CCO)C1 ZINC000616600125 350779823 /nfs/dbraw/zinc/77/98/23/350779823.db2.gz CFBXTQRYKXODLU-CYBMUJFWSA-N 1 0 220.316 0.798 10 0 BCAERO [NH3+]CCN1CCCC[C@H](c2cc[nH]n2)C1 ZINC000616604869 350793263 /nfs/dbraw/zinc/79/32/63/350793263.db2.gz RNLQRQVVMSKEOI-JTQLQIEISA-N 1 0 208.309 0.938 10 0 BCAERO NC(=O)c1cccc([C@@H]2CCCN2CC[NH3+])c1 ZINC000616608216 350796532 /nfs/dbraw/zinc/79/65/32/350796532.db2.gz PDNXBPBWQAJIRU-LBPRGKRZSA-N 1 0 233.315 0.881 10 0 BCAERO NC(=O)c1ccccc1C1CC[NH+](CCO)CC1 ZINC000616609534 350803729 /nfs/dbraw/zinc/80/37/29/350803729.db2.gz ZFGATCVIQIAAOC-UHFFFAOYSA-N 1 0 248.326 0.957 10 0 BCAERO Nc1ncccc1[C@@H]1CC[N@H+](CCO)C1 ZINC000616614165 350829631 /nfs/dbraw/zinc/82/96/31/350829631.db2.gz GFFIYYFFJAQUIT-SECBINFHSA-N 1 0 207.277 0.445 10 0 BCAERO [NH3+]CCN1CCCC[C@@H]1c1ccncn1 ZINC000616614420 350832820 /nfs/dbraw/zinc/83/28/20/350832820.db2.gz FCQZNZHCNCPETI-LLVKDONJSA-N 1 0 206.293 0.962 10 0 BCAERO CC[S@](C)(=O)=NC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000306679041 350834385 /nfs/dbraw/zinc/83/43/85/350834385.db2.gz AVTSKFZZYVPCEK-GIHMMQTOSA-N 1 0 218.322 0.758 10 0 BCAERO C[C@H](C(N)=O)[N@H+](C)C1CCSCC1 ZINC000306685345 350842486 /nfs/dbraw/zinc/84/24/86/350842486.db2.gz CJQRZAJQZJQVNM-SSDOTTSWSA-N 1 0 202.323 0.688 10 0 BCAERO C(SC1=[NH+]CCCN1)[C@H]1CCOCO1 ZINC000306702848 350849579 /nfs/dbraw/zinc/84/95/79/350849579.db2.gz HVLDAELHGSDUBD-MRVPVSSYSA-N 1 0 216.306 0.832 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)N[C@H]2CC[C@H](C[NH3+])C2)O1 ZINC000382509521 350852598 /nfs/dbraw/zinc/85/25/98/350852598.db2.gz OBMODAMNFRQIDB-VPOLOUISSA-N 1 0 226.320 0.798 10 0 BCAERO COCC(C)(C)C[N@H+](C)CCN(C)CCO ZINC000623090489 350857537 /nfs/dbraw/zinc/85/75/37/350857537.db2.gz PTRJOWZXJMVCTL-UHFFFAOYSA-N 1 0 232.368 0.515 10 0 BCAERO Cc1cc(CN(C)CC[N@H+](C)CCO)nn1C ZINC000623090269 350858515 /nfs/dbraw/zinc/85/85/15/350858515.db2.gz GMCNJAWQBXRAHE-UHFFFAOYSA-N 1 0 240.351 0.084 10 0 BCAERO CC(C)(C)[N@@H+]1CCC[C@@H](S(N)(=O)=O)C1 ZINC000616617272 350864318 /nfs/dbraw/zinc/86/43/18/350864318.db2.gz QSMDLCNCOIOGFQ-MRVPVSSYSA-N 1 0 220.338 0.538 10 0 BCAERO [NH3+][C@@H]1CN(Cc2ccc(Br)o2)C1=O ZINC000306676069 350827772 /nfs/dbraw/zinc/82/77/72/350827772.db2.gz VEZKMYYUSMYBEW-ZCFIWIBFSA-N 1 0 245.076 0.712 10 0 BCAERO C[NH2+]Cc1cnc(-c2cnn(C)n2)s1 ZINC000306728222 350898490 /nfs/dbraw/zinc/89/84/90/350898490.db2.gz BRCVIRDLXPNSQZ-UHFFFAOYSA-N 1 0 209.278 0.658 10 0 BCAERO C[C@@H]1CC[S@](=O)[C@H]2COCC[C@H]2[NH2+]1 ZINC000251556968 350898666 /nfs/dbraw/zinc/89/86/66/350898666.db2.gz CLQPTDYYBFCAOQ-SKNMHBRKSA-N 1 0 203.307 0.274 10 0 BCAERO CCOC(=O)CNC(=O)C[C@@H]([NH3+])C(C)C ZINC000128948759 350909140 /nfs/dbraw/zinc/90/91/40/350909140.db2.gz VVNRGZYNRGPQCV-MRVPVSSYSA-N 1 0 216.281 0.039 10 0 BCAERO COC(=O)[C@H](C)NC(=O)C[C@H]([NH3+])C(C)C ZINC000128944292 350910064 /nfs/dbraw/zinc/91/00/64/350910064.db2.gz LQXLTBHPDNDNIK-YUMQZZPRSA-N 1 0 216.281 0.038 10 0 BCAERO CN([C@H]1CCCC[C@H]1[NH3+])S(C)(=O)=O ZINC000252701832 350914793 /nfs/dbraw/zinc/91/47/93/350914793.db2.gz FLZXSVDQJZDFTQ-SFYZADRCSA-N 1 0 206.311 0.148 10 0 BCAERO [NH3+][C@H]1CCCN(CC(=O)[C@H]2CCOC2)C1 ZINC000252828582 350915742 /nfs/dbraw/zinc/91/57/42/350915742.db2.gz JFMHQKQRVWIOSB-UWVGGRQHSA-N 1 0 212.293 0.015 10 0 BCAERO NC(=O)c1cccc(C2CCN(CC[NH3+])CC2)c1 ZINC000616619116 350926689 /nfs/dbraw/zinc/92/66/89/350926689.db2.gz DKXLOBYOLXESJH-UHFFFAOYSA-N 1 0 247.342 0.924 10 0 BCAERO [NH3+]CCN1CCC(OC(F)(F)F)CC1 ZINC000616619521 350927713 /nfs/dbraw/zinc/92/77/13/350927713.db2.gz KXMAFDCIZICTIY-UHFFFAOYSA-N 1 0 212.215 0.946 10 0 BCAERO CC[S@](=O)N1C[C@@H]2C[NH2+]C[C@@H]2[C@@H]1C ZINC000306744430 350932642 /nfs/dbraw/zinc/93/26/42/350932642.db2.gz IIQRZYHUGXARBK-YDEXJTGXSA-N 1 0 202.323 0.210 10 0 BCAERO CC[S@](=O)N1C[C@@H]2C[NH2+]C[C@H]2[C@@H]1C ZINC000306744431 350932808 /nfs/dbraw/zinc/93/28/08/350932808.db2.gz IIQRZYHUGXARBK-YFBYITSOSA-N 1 0 202.323 0.210 10 0 BCAERO COc1nc([C@@H](O)[C@@H]2CCC[NH2+]2)cs1 ZINC000306712099 350872711 /nfs/dbraw/zinc/87/27/11/350872711.db2.gz TUDYHQAIFQNAPO-XPUUQOCRSA-N 1 0 214.290 0.937 10 0 BCAERO Nc1ncccc1[C@H]1CCC[N@H+](CCO)C1 ZINC000616618172 350883238 /nfs/dbraw/zinc/88/32/38/350883238.db2.gz PYLVSJRPOGMTQV-JTQLQIEISA-N 1 0 221.304 0.836 10 0 BCAERO C[S@@](=O)N1C[C@@H]2C[C@H]([NH3+])CC[C@@H]2C1 ZINC000306751298 350961285 /nfs/dbraw/zinc/96/12/85/350961285.db2.gz LFHGDMYJVANDCT-LOKDSWTASA-N 1 0 202.323 0.339 10 0 BCAERO CS(=O)(=O)Cc1cccc(C[NH3+])c1F ZINC000222551399 350985249 /nfs/dbraw/zinc/98/52/49/350985249.db2.gz LOOJDZSFRJOAJI-UHFFFAOYSA-N 1 0 217.265 0.829 10 0 BCAERO Cc1csc([C@@H]2OC[C@@H](C[NH3+])O2)n1 ZINC000159732772 350989101 /nfs/dbraw/zinc/98/91/01/350989101.db2.gz JOOHFWINUKNFPM-HTRCEHHLSA-N 1 0 200.263 0.824 10 0 BCAERO Cc1csc([C@H]2OC[C@H](C[NH3+])O2)n1 ZINC000159732656 350989405 /nfs/dbraw/zinc/98/94/05/350989405.db2.gz JOOHFWINUKNFPM-XPUUQOCRSA-N 1 0 200.263 0.824 10 0 BCAERO Cc1cc(CC(=O)[C@H]2CC[NH2+]C2)n(C)n1 ZINC000226330294 351003548 /nfs/dbraw/zinc/00/35/48/351003548.db2.gz KKMWWGOPAUDDTF-VIFPVBQESA-N 1 0 207.277 0.450 10 0 BCAERO Cn1nncc1C(=O)[C@H]1CCCC[C@H]1[NH3+] ZINC000129190009 351004695 /nfs/dbraw/zinc/00/46/95/351004695.db2.gz NHQWJERCIRLAEE-JGVFFNPUSA-N 1 0 208.265 0.515 10 0 BCAERO CCC[S@](=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000306810587 351065304 /nfs/dbraw/zinc/06/53/04/351065304.db2.gz UUAGKAWDUSIAFC-BFVZDQMLSA-N 1 0 216.350 0.886 10 0 BCAERO NC(=O)[C@H]1CCC[N@@H+]1[C@@H]1CCSC1 ZINC000306782628 351027294 /nfs/dbraw/zinc/02/72/94/351027294.db2.gz KPWKMGYSGWBAJS-HTQZYQBOSA-N 1 0 200.307 0.442 10 0 BCAERO C[C@H]1C[NH2+]C[C@H](CN=S(C)(C)=O)C1 ZINC000306783977 351034270 /nfs/dbraw/zinc/03/42/70/351034270.db2.gz RPUSCSLAADNZIG-RKDXNWHRSA-N 1 0 204.339 0.960 10 0 BCAERO CC(C)[C@@H](O)CN1CC[NH2+]C(C)(C)C1 ZINC000306787751 351034522 /nfs/dbraw/zinc/03/45/22/351034522.db2.gz QVRIAKQCTQOJHG-JTQLQIEISA-N 1 0 200.326 0.687 10 0 BCAERO OCC[N@@H+]1CCC[C@@H](c2ccnnc2)C1 ZINC000616621359 351036172 /nfs/dbraw/zinc/03/61/72/351036172.db2.gz RLBSBRZBGZPFPN-LLVKDONJSA-N 1 0 207.277 0.648 10 0 BCAERO NS(=O)(=O)c1ccc(C[NH3+])cc1Cl ZINC000159920128 351037923 /nfs/dbraw/zinc/03/79/23/351037923.db2.gz BVOXHBKEIMEPSD-UHFFFAOYSA-N 1 0 220.681 0.446 10 0 BCAERO COC1(C)CN([C@@H]2C[NH2+]C[C@H]2SC)C1 ZINC000306791812 351041228 /nfs/dbraw/zinc/04/12/28/351041228.db2.gz ZCQYASHUFMLPAO-RKDXNWHRSA-N 1 0 216.350 0.411 10 0 BCAERO C[C@@H]1CCN(C(=O)C(C)(F)F)CC[NH2+]1 ZINC000306791536 351041828 /nfs/dbraw/zinc/04/18/28/351041828.db2.gz YBHPZEODGFEWHL-SSDOTTSWSA-N 1 0 206.236 0.852 10 0 BCAERO CC(C)[S@@](=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000306807513 351061448 /nfs/dbraw/zinc/06/14/48/351061448.db2.gz MNVBGKBRKMZMNO-GPCCPHFNSA-N 1 0 218.366 0.975 10 0 BCAERO COC(=O)[C@H](NC[C@@H]1CCC[N@@H+]1C)C(C)C ZINC000386462977 362994513 /nfs/dbraw/zinc/99/45/13/362994513.db2.gz SQPQQXSHRARAIY-WDEREUQCSA-N 1 0 228.336 0.868 10 0 BCAERO CC(C)(C)[C@](O)(C[NH3+])c1cnc(N)s1 ZINC000159862760 351014846 /nfs/dbraw/zinc/01/48/46/351014846.db2.gz XVOAJJSXSWMKBI-VIFPVBQESA-N 1 0 215.322 0.918 10 0 BCAERO OCCN1CC[NH2+][C@@H](c2cccc(F)c2)C1 ZINC000616631623 351106274 /nfs/dbraw/zinc/10/62/74/351106274.db2.gz AJTQJWWWLYJYFD-GFCCVEGCSA-N 1 0 224.279 0.764 10 0 BCAERO CC[N@@H+]1CCN[C@@H](c2cccc(C(N)=O)c2)C1 ZINC000616632123 351110237 /nfs/dbraw/zinc/11/02/37/351110237.db2.gz LZLRZCSPNOAGRX-GFCCVEGCSA-N 1 0 233.315 0.752 10 0 BCAERO CN1CC[NH2+][C@H](c2ccccc2C(N)=O)C1 ZINC000616632614 351111971 /nfs/dbraw/zinc/11/19/71/351111971.db2.gz NRXLCPYXSNMYGO-NSHDSACASA-N 1 0 219.288 0.362 10 0 BCAERO CC(C)(C)[N@@H+]1CCN[C@H](c2cnno2)C1 ZINC000616633455 351114999 /nfs/dbraw/zinc/11/49/99/351114999.db2.gz AQBAACIZOXABQQ-QMMMGPOBSA-N 1 0 210.281 0.814 10 0 BCAERO CNc1ccccc1[C@@H]1CN(CCO)CC[NH2+]1 ZINC000616633907 351115939 /nfs/dbraw/zinc/11/59/39/351115939.db2.gz GOLMLTFRFQTPKJ-ZDUSSCGKSA-N 1 0 235.331 0.667 10 0 BCAERO COc1ccccc1[C@@H]1CN(CCO)CC[NH2+]1 ZINC000616634457 351116893 /nfs/dbraw/zinc/11/68/93/351116893.db2.gz SSHOKHNHCRFWFG-LBPRGKRZSA-N 1 0 236.315 0.634 10 0 BCAERO CNc1cccc([C@@H]2CN(CCO)CC[NH2+]2)c1 ZINC000616634297 351117301 /nfs/dbraw/zinc/11/73/01/351117301.db2.gz QDKMLRNCUWAKSB-ZDUSSCGKSA-N 1 0 235.331 0.667 10 0 BCAERO CC(C)[C@H]([NH3+])C(=O)N1CCOC[C@H]1C ZINC000035776603 358459617 /nfs/dbraw/zinc/45/96/17/358459617.db2.gz ZXIMBIIQEZNTSF-BDAKNGLRSA-N 1 0 200.282 0.217 10 0 BCAERO CC(C)(C)N1CC[NH2+]C[C@H]1c1nc[nH]n1 ZINC000616636536 351126807 /nfs/dbraw/zinc/12/68/07/351126807.db2.gz DCSUSRUHPVNCAM-QMMMGPOBSA-N 1 0 209.297 0.550 10 0 BCAERO C[NH2+]C1(C(=O)c2cn(C)nn2)CCCC1 ZINC000306811422 351079405 /nfs/dbraw/zinc/07/94/05/351079405.db2.gz WUPBHVHUHNEXPN-UHFFFAOYSA-N 1 0 208.265 0.530 10 0 BCAERO c1nsc(N2CC[C@@]3(CC[NH2+]C3)C2)n1 ZINC000306819558 351087508 /nfs/dbraw/zinc/08/75/08/351087508.db2.gz HFILKRDWQWWBNL-SECBINFHSA-N 1 0 210.306 0.728 10 0 BCAERO OCC[N@@H+]1CCC[C@H](c2c[nH]cn2)CC1 ZINC000616627781 351096382 /nfs/dbraw/zinc/09/63/82/351096382.db2.gz NJCDNEKKJZPWKN-JTQLQIEISA-N 1 0 209.293 0.972 10 0 BCAERO NC(=O)c1ccccc1[C@@H]1C[NH2+]CCO1 ZINC000616642556 351152769 /nfs/dbraw/zinc/15/27/69/351152769.db2.gz AGQDMLUVWMILBO-JTQLQIEISA-N 1 0 206.245 0.446 10 0 BCAERO OCC[N@@H+]1CCCOC[C@H]1c1cccnc1 ZINC000616644741 351162468 /nfs/dbraw/zinc/16/24/68/351162468.db2.gz HBGNLEWXRVSZSC-LBPRGKRZSA-N 1 0 222.288 0.837 10 0 BCAERO [NH3+]CCN1CCCOC[C@@H]1c1ncc[nH]1 ZINC000616645155 351166769 /nfs/dbraw/zinc/16/67/69/351166769.db2.gz GVEMXWINRALNNC-SECBINFHSA-N 1 0 210.281 0.132 10 0 BCAERO [NH3+]CCN1CCCOC[C@H]1c1ccno1 ZINC000616645512 351167687 /nfs/dbraw/zinc/16/76/87/351167687.db2.gz OLBQOHCJTSKKSQ-VIFPVBQESA-N 1 0 211.265 0.397 10 0 BCAERO [NH3+]CCN1CCCOC[C@@H]1c1cn[nH]c1 ZINC000616646060 351169734 /nfs/dbraw/zinc/16/97/34/351169734.db2.gz NHCIUGDYLHZZJX-SNVBAGLBSA-N 1 0 210.281 0.132 10 0 BCAERO [NH3+]CCN1CCO[C@H](c2ccc(CO)cc2)C1 ZINC000616647637 351174078 /nfs/dbraw/zinc/17/40/78/351174078.db2.gz GSAGFROLXDWCOO-ZDUSSCGKSA-N 1 0 236.315 0.511 10 0 BCAERO [NH3+]CCN1CCO[C@H](Nc2ccccn2)C1 ZINC000616648662 351176191 /nfs/dbraw/zinc/17/61/91/351176191.db2.gz RBPOZFFRACRFGM-NSHDSACASA-N 1 0 222.292 0.111 10 0 BCAERO OCC[N@@H+]1CCCC[C@@H](n2cccn2)C1 ZINC000616653992 351194301 /nfs/dbraw/zinc/19/43/01/351194301.db2.gz IGPJZIDYYSJSIB-LLVKDONJSA-N 1 0 209.293 0.902 10 0 BCAERO NC(=O)c1cccc([C@@H]2C[NH2+]CCCO2)c1 ZINC000616651572 351182755 /nfs/dbraw/zinc/18/27/55/351182755.db2.gz CAOODZFUXFGMFF-NSHDSACASA-N 1 0 220.272 0.837 10 0 BCAERO CNC1=N[C@@H]([C@@H]2CCCSC2)C(=O)N1 ZINC000306821285 351127140 /nfs/dbraw/zinc/12/71/40/351127140.db2.gz KJGRSPYXLAEVFV-RQJHMYQMSA-N 1 0 213.306 0.203 10 0 BCAERO OCCN1CC[NH2+]C[C@H]1c1cccc(CO)c1 ZINC000616636491 351127603 /nfs/dbraw/zinc/12/76/03/351127603.db2.gz URIXAKRKFYBLES-ZDUSSCGKSA-N 1 0 236.315 0.118 10 0 BCAERO CC(C)(C)N1CC[NH2+]C[C@H]1c1conn1 ZINC000616637508 351132275 /nfs/dbraw/zinc/13/22/75/351132275.db2.gz OAHBZINOHJRNQH-VIFPVBQESA-N 1 0 210.281 0.814 10 0 BCAERO CN1CC[NH2+]C[C@H]1c1cccc(CO)c1 ZINC000616637834 351136227 /nfs/dbraw/zinc/13/62/27/351136227.db2.gz RBIWPZUQOQBLRD-LBPRGKRZSA-N 1 0 206.289 0.755 10 0 BCAERO NC(=O)N1CC[NH2+]C[C@H]1c1ccc(CO)cc1 ZINC000616637894 351136792 /nfs/dbraw/zinc/13/67/92/351136792.db2.gz AAGHDRMAAOOUNZ-NSHDSACASA-N 1 0 235.287 0.204 10 0 BCAERO OCC[N@@H+]1CCCC[C@@H](c2c[nH]cn2)C1 ZINC000616654916 351191636 /nfs/dbraw/zinc/19/16/36/351191636.db2.gz SHBOVATWRBCGNT-SNVBAGLBSA-N 1 0 209.293 0.972 10 0 BCAERO [NH3+]CCN1CCOC[C@@H]1c1cccc(CO)c1 ZINC000616640018 351144865 /nfs/dbraw/zinc/14/48/65/351144865.db2.gz RPWRWZQAQRCIMX-CYBMUJFWSA-N 1 0 236.315 0.511 10 0 BCAERO C[NH+](C)[C@@H]1Cc2ccccc2N(CCO)C1 ZINC000616673598 351237303 /nfs/dbraw/zinc/23/73/03/351237303.db2.gz VSVBUSCWLAIAJO-GFCCVEGCSA-N 1 0 220.316 0.972 10 0 BCAERO CN1CCO[C@@H](c2ccccc2C(N)=O)C1 ZINC000616676790 351241835 /nfs/dbraw/zinc/24/18/35/351241835.db2.gz LOYJRPSJACCLCJ-LLVKDONJSA-N 1 0 220.272 0.789 10 0 BCAERO NC(=O)N1CCN[C@@H](c2ccccn2)C1 ZINC000616654249 351195905 /nfs/dbraw/zinc/19/59/05/351195905.db2.gz OWAZVDODLMLQJA-SECBINFHSA-N 1 0 206.249 0.107 10 0 BCAERO [NH3+]CCN1CCCO[C@@H](c2cncnc2)C1 ZINC000616654561 351196650 /nfs/dbraw/zinc/19/66/50/351196650.db2.gz HVGUSJZKUITUCT-LLVKDONJSA-N 1 0 222.292 0.199 10 0 BCAERO CCOC(=O)N1CCOC[C@H]([NH+](C)C)C1 ZINC000616658046 351199805 /nfs/dbraw/zinc/19/98/05/351199805.db2.gz IOQJFMJRXVLDAH-SECBINFHSA-N 1 0 216.281 0.405 10 0 BCAERO CC(C)(C)[N@@H+]1CCOCC[C@H]1C(N)=O ZINC000616656054 351201553 /nfs/dbraw/zinc/20/15/53/351201553.db2.gz GRRYDXDJKSCTCG-QMMMGPOBSA-N 1 0 200.282 0.361 10 0 BCAERO CC[N@@H+]1CCOC[C@@H](c2ncccn2)C1 ZINC000616660533 351205449 /nfs/dbraw/zinc/20/54/49/351205449.db2.gz JRANKBUMPXRLGE-JTQLQIEISA-N 1 0 207.277 0.912 10 0 BCAERO Nc1cccc([C@@H]2COCC[N@H+](CCO)C2)c1 ZINC000616659102 351206331 /nfs/dbraw/zinc/20/63/31/351206331.db2.gz CADICOIZTUHCOT-LBPRGKRZSA-N 1 0 236.315 0.677 10 0 BCAERO CCOC(=O)[C@@H]1COCC[N@H+](CC)C1 ZINC000616659750 351208261 /nfs/dbraw/zinc/20/82/61/351208261.db2.gz DYTUZXOMIJHTSS-VIFPVBQESA-N 1 0 201.266 0.518 10 0 BCAERO C[N@@H+]1CCOC[C@@H](c2cccnc2N)C1 ZINC000616661939 351210827 /nfs/dbraw/zinc/21/08/27/351210827.db2.gz WKTFYDNDZACORM-VIFPVBQESA-N 1 0 207.277 0.709 10 0 BCAERO CC[N@@H+]1CCOC[C@H](c2cncnc2)C1 ZINC000616660646 351212877 /nfs/dbraw/zinc/21/28/77/351212877.db2.gz OXHOPTJCEAQSCI-LLVKDONJSA-N 1 0 207.277 0.912 10 0 BCAERO COC(=O)N1CCOC[C@H](CC[NH3+])C1 ZINC000616660862 351213226 /nfs/dbraw/zinc/21/32/26/351213226.db2.gz WOMOYNDHWZWFNW-MRVPVSSYSA-N 1 0 202.254 0.050 10 0 BCAERO Nc1ccccc1[C@H]1COCC[N@H+](CCO)C1 ZINC000616661247 351214135 /nfs/dbraw/zinc/21/41/35/351214135.db2.gz QSTNHGPWJPIPNL-LLVKDONJSA-N 1 0 236.315 0.677 10 0 BCAERO [NH3+]CCN1CCO[C@H](c2cn[nH]c2)CC1 ZINC000616665348 351222483 /nfs/dbraw/zinc/22/24/83/351222483.db2.gz GHLAXZOFBDGKGX-JTQLQIEISA-N 1 0 210.281 0.132 10 0 BCAERO Nc1ccccc1[C@@H]1CCN(CC[NH3+])CCO1 ZINC000616665552 351223365 /nfs/dbraw/zinc/22/33/65/351223365.db2.gz MCGYTQAKUCFQHZ-ZDUSSCGKSA-N 1 0 235.331 0.991 10 0 BCAERO [NH3+]CCN1CCO[C@@H](Nc2ccccn2)CC1 ZINC000616666330 351225843 /nfs/dbraw/zinc/22/58/43/351225843.db2.gz ONINERGINGTHFT-GFCCVEGCSA-N 1 0 236.319 0.501 10 0 BCAERO O[C@@H]1COCC[C@@H]1[NH2+]CC[C@H]1CCOC1 ZINC000628467293 358462658 /nfs/dbraw/zinc/46/26/58/358462658.db2.gz SNJYYVZZGSYBMH-GARJFASQSA-N 1 0 215.293 0.152 10 0 BCAERO C[C@@H]([NH3+])C(=O)N[C@@H](C)[C@@H]1CCCOC1 ZINC000306883873 351289445 /nfs/dbraw/zinc/28/94/45/351289445.db2.gz PPAMHSCPJNTBED-HRDYMLBCSA-N 1 0 200.282 0.265 10 0 BCAERO C[C@H]([NH3+])C(=O)N1CCSCC[C@H]1C ZINC000306903261 351317505 /nfs/dbraw/zinc/31/75/05/351317505.db2.gz RYBCUNNJBIFKGM-SFYZADRCSA-N 1 0 202.323 0.688 10 0 BCAERO O=c1ncc(Cl)cn1C[C@@H]1CC[NH2+]C1 ZINC000168185741 351335919 /nfs/dbraw/zinc/33/59/19/351335919.db2.gz SUMLMCNGWNKQIE-SSDOTTSWSA-N 1 0 213.668 0.506 10 0 BCAERO C[C@@H]1CSC[C@@H]1[NH2+][C@H]1CCOC[C@H]1O ZINC000628467314 358462239 /nfs/dbraw/zinc/46/22/39/358462239.db2.gz TZBMXXLKXZPSQB-XFWSIPNHSA-N 1 0 217.334 0.477 10 0 BCAERO [NH3+][C@H]1CCC[C@@H]1NC(=O)c1cnns1 ZINC000063172420 351268743 /nfs/dbraw/zinc/26/87/43/351268743.db2.gz OCLRDTRBRHYPHS-WDSKDSINSA-N 1 0 212.278 0.148 10 0 BCAERO [NH3+][C@H]1CCC[C@H]1NC(=O)c1cnns1 ZINC000063172419 351268879 /nfs/dbraw/zinc/26/88/79/351268879.db2.gz OCLRDTRBRHYPHS-NTSWFWBYSA-N 1 0 212.278 0.148 10 0 BCAERO [NH3+]C[C@@H]1CSCCN1C(=O)NC1CC1 ZINC000306879318 351272553 /nfs/dbraw/zinc/27/25/53/351272553.db2.gz JPRIPWZFUAOEBO-MRVPVSSYSA-N 1 0 215.322 0.235 10 0 BCAERO CC1(NC(=O)NCc2ccccc2)C[NH2+]C1 ZINC000306951466 351378818 /nfs/dbraw/zinc/37/88/18/351378818.db2.gz CLFVNFXCENKOED-UHFFFAOYSA-N 1 0 219.288 0.848 10 0 BCAERO C[C@H]1CN(C(=O)[C@@H]2CC[NH2+]2)CCS1 ZINC000306953039 351380416 /nfs/dbraw/zinc/38/04/16/351380416.db2.gz FJTGBVRSOGLCBH-YUMQZZPRSA-N 1 0 200.307 0.312 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)NCC(C)(C)[NH3+])O1 ZINC000168369490 351390984 /nfs/dbraw/zinc/39/09/84/351390984.db2.gz ZEZQFZUVHBAHDQ-HTQZYQBOSA-N 1 0 200.282 0.407 10 0 BCAERO C[C@@H]1CC[C@@H]1NC(=O)[C@@H]1CSCC[NH2+]1 ZINC000306975106 351395626 /nfs/dbraw/zinc/39/56/26/351395626.db2.gz MYUVJTUVTGICIT-VGMNWLOBSA-N 1 0 214.334 0.606 10 0 BCAERO CC(C)CC[NH2+][C@H](C)C(=O)N1CCOCC1 ZINC000034936796 351350410 /nfs/dbraw/zinc/35/04/10/351350410.db2.gz PMAKYVKCJJZPEV-LLVKDONJSA-N 1 0 228.336 0.869 10 0 BCAERO CCOCCC[NH2+][C@@H](C)C(=O)N1CCOCC1 ZINC000034936837 351351282 /nfs/dbraw/zinc/35/12/82/351351282.db2.gz BFFRYPKUTTVZIT-NSHDSACASA-N 1 0 244.335 0.250 10 0 BCAERO CC[C@@H](C)[NH2+][C@H](C)C(=O)NCCOC ZINC000034937507 351352066 /nfs/dbraw/zinc/35/20/66/351352066.db2.gz SGABZUKSSVNNIR-RKDXNWHRSA-N 1 0 202.298 0.526 10 0 BCAERO [NH3+]CC[S@](=O)CCOCc1ccccc1 ZINC000306932875 351359178 /nfs/dbraw/zinc/35/91/78/351359178.db2.gz FNCXDHHOMJYQOI-HNNXBMFYSA-N 1 0 227.329 0.911 10 0 BCAERO C[C@@H](NC(=O)C1CC[NH2+]CC1)C(F)F ZINC000307026339 351434619 /nfs/dbraw/zinc/43/46/19/351434619.db2.gz YEHFNHZMAOCJPT-ZCFIWIBFSA-N 1 0 206.236 0.756 10 0 BCAERO O[C@@H]1C[NH2+]C[C@@H]1N1CCC=C(Br)C1 ZINC000404424216 351440025 /nfs/dbraw/zinc/44/00/25/351440025.db2.gz LGILFKZKAPISJX-DTWKUNHWSA-N 1 0 247.136 0.304 10 0 BCAERO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)c1ccn(C)n1 ZINC000231897551 351444017 /nfs/dbraw/zinc/44/40/17/351444017.db2.gz YFFJMMCOLGVVEB-BDAKNGLRSA-N 1 0 222.292 0.290 10 0 BCAERO C[NH2+][C@@H](C)C(=O)N[C@@H]1CSC1(C)C ZINC000307059450 351458271 /nfs/dbraw/zinc/45/82/71/351458271.db2.gz MQUHWZLRYCXRCD-NKWVEPMBSA-N 1 0 202.323 0.605 10 0 BCAERO O[C@H]1C[NH2+]C[C@@H]1N1CCC=C(Cl)C1 ZINC000404442511 351459216 /nfs/dbraw/zinc/45/92/16/351459216.db2.gz YGJOJGVTDYMANS-IUCAKERBSA-N 1 0 202.685 0.148 10 0 BCAERO C[C@H]1CCC[C@]([NH3+])(C(=O)NCCF)C1 ZINC000307070379 351463819 /nfs/dbraw/zinc/46/38/19/351463819.db2.gz FBSSIWAFBRRUFN-WCBMZHEXSA-N 1 0 202.273 0.980 10 0 BCAERO C[C@@H]1CCC[C@]([NH3+])(C(=O)NCCF)C1 ZINC000307070376 351463838 /nfs/dbraw/zinc/46/38/38/351463838.db2.gz FBSSIWAFBRRUFN-PSASIEDQSA-N 1 0 202.273 0.980 10 0 BCAERO CS(C)(=O)=NC(=O)[C@H]1CCC[NH2+]C1 ZINC000307129838 351492877 /nfs/dbraw/zinc/49/28/77/351492877.db2.gz YHWCMTLVEQIARI-ZETCQYMHSA-N 1 0 204.295 0.240 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N(C)Cc1scnc1C ZINC000088004405 351509624 /nfs/dbraw/zinc/50/96/24/351509624.db2.gz OZYKISCRNUAQND-MRVPVSSYSA-N 1 0 243.332 0.384 10 0 BCAERO CC[C@@H](NC(=O)[C@H]([NH3+])COC)c1nccs1 ZINC000088004562 351510865 /nfs/dbraw/zinc/51/08/65/351510865.db2.gz PQGKPYJEGZBDFM-HTQZYQBOSA-N 1 0 243.332 0.684 10 0 BCAERO NC(=[NH2+])N[C@@H](CO)c1ccccc1Cl ZINC000307090330 351472060 /nfs/dbraw/zinc/47/20/60/351472060.db2.gz POHGXEZZJFMRHI-QMMMGPOBSA-N 1 0 213.668 0.856 10 0 BCAERO Clc1nccc(CNC[C@@H]2CCC[NH2+]2)n1 ZINC000095070136 180601542 /nfs/dbraw/zinc/60/15/42/180601542.db2.gz FUYXSWYOBOVLKR-QMMMGPOBSA-N 1 0 226.711 0.972 10 0 BCAERO Clc1nccc(CNC[C@H]2CC[NH2+]C2)n1 ZINC000095070141 180601545 /nfs/dbraw/zinc/60/15/45/180601545.db2.gz IUWGCSXKNKBVDK-QMMMGPOBSA-N 1 0 226.711 0.829 10 0 BCAERO CCOC(=O)COCCN1CC[C@@H]([NH+](C)C)C1 ZINC000094805438 363047864 /nfs/dbraw/zinc/04/78/64/363047864.db2.gz QATLQKZUBPWCBV-LLVKDONJSA-N 1 0 244.335 0.202 10 0 BCAERO CC(C)[S@](=N)(=O)N1CCC[NH2+]CC1 ZINC000404510681 351490738 /nfs/dbraw/zinc/49/07/38/351490738.db2.gz DZBUISVVKYPNBY-CYBMUJFWSA-N 1 0 205.327 0.652 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N=S(C)(C)=O ZINC000307162757 351529371 /nfs/dbraw/zinc/52/93/71/351529371.db2.gz ILCBQTQUGALUKT-RNFRBKRXSA-N 1 0 204.295 0.096 10 0 BCAERO C[NH2+][C@@H]1CCN([C@@H]2CS[C@@H](C)C2)C1=O ZINC000307176297 351565498 /nfs/dbraw/zinc/56/54/98/351565498.db2.gz XVKLKZWNPDOFNM-XHNCKOQMSA-N 1 0 214.334 0.701 10 0 BCAERO CC(=O)CC[N@H+]1C[C@@H]2CCN(C)C[C@H]2C1 ZINC000307194063 351595318 /nfs/dbraw/zinc/59/53/18/351595318.db2.gz HXLNPIPHUIKLOJ-RYUDHWBXSA-N 1 0 210.321 0.849 10 0 BCAERO [NH2+]=C(NCc1ccccc1)N[C@H]1CCC(=O)NC1 ZINC000307171698 351560874 /nfs/dbraw/zinc/56/08/74/351560874.db2.gz BIURRZHGTGWEHU-NSHDSACASA-N 1 0 246.314 0.579 10 0 BCAERO O=C(N1CC[C@H]2[NH2+]CC[C@@H]2C1)C(F)(F)F ZINC000307216767 351616827 /nfs/dbraw/zinc/61/68/27/351616827.db2.gz MADBYTMUDFDZBO-RNFRBKRXSA-N 1 0 222.210 0.759 10 0 BCAERO C[NH2+][C@@H]1COC[C@H]1C(=O)c1csc(C)n1 ZINC000307215802 351618318 /nfs/dbraw/zinc/61/83/18/351618318.db2.gz BKRICHMVRAXREK-HTQZYQBOSA-N 1 0 226.301 0.869 10 0 BCAERO C[C@H]1C[NH2+]C[C@@H](N2CCCS2(=O)=O)C1 ZINC000232078480 351672379 /nfs/dbraw/zinc/67/23/79/351672379.db2.gz RCBJUTFHCNGOFR-BDAKNGLRSA-N 1 0 218.322 0.020 10 0 BCAERO C[C@@H]1CN(C(=O)CCC2C[NH2+]C2)C[C@@H](C)O1 ZINC000637869863 351728797 /nfs/dbraw/zinc/72/87/97/351728797.db2.gz ZPDZKFZKLDSBRX-NXEZZACHSA-N 1 0 226.320 0.622 10 0 BCAERO [NH3+]C[C@@H]1CSCCN1[C@H]1CCOC1 ZINC000307239590 351731318 /nfs/dbraw/zinc/73/13/18/351731318.db2.gz PQSLBWYRSRDIPJ-DTWKUNHWSA-N 1 0 202.323 0.151 10 0 BCAERO CO[C@@H]1C[NH2+][C@](C)(C(=O)N[C@H](C)C(C)C)C1 ZINC000637876221 351741858 /nfs/dbraw/zinc/74/18/58/351741858.db2.gz JGKFVOMZGSNMQD-SCVCMEIPSA-N 1 0 228.336 0.914 10 0 BCAERO CN[C@H](c1nnn(C)n1)[C@@H]1CCCS1 ZINC000307242747 351746760 /nfs/dbraw/zinc/74/67/60/351746760.db2.gz JMJORXBFZGFKOQ-BQBZGAKWSA-N 1 0 213.310 0.366 10 0 BCAERO CN[C@@H](c1nnn(C)n1)[C@H]1CCCS1 ZINC000307242750 351746985 /nfs/dbraw/zinc/74/69/85/351746985.db2.gz JMJORXBFZGFKOQ-RNFRBKRXSA-N 1 0 213.310 0.366 10 0 BCAERO Cn1cnnc1[C@H]([NH3+])[C@H]1CSCCS1 ZINC000307244362 351749809 /nfs/dbraw/zinc/74/98/09/351749809.db2.gz LBZTUXYGOXMEHB-RNFRBKRXSA-N 1 0 230.362 0.664 10 0 BCAERO CN(C[C@H]1CCCO1)C(=O)[C@]1(C)C[NH2+]CCO1 ZINC000637909796 351779958 /nfs/dbraw/zinc/77/99/58/351779958.db2.gz LOENQHUKLRMMKH-PWSUYJOCSA-N 1 0 242.319 0.002 10 0 BCAERO C[C@@H]1CN([C@@H]2CCO[C@]23CCOC3)CC[NH2+]1 ZINC000725269096 538101268 /nfs/dbraw/zinc/10/12/68/538101268.db2.gz KFQXGFAGVNSJJI-UTUOFQBUSA-N 1 0 226.320 0.228 10 0 BCAERO CO[C@@H]1C[NH2+][C@@](C)(C(=O)N[C@H](C)C2CC2)C1 ZINC000637893890 351765003 /nfs/dbraw/zinc/76/50/03/351765003.db2.gz WTECVXZSCAXPNV-UBHAPETDSA-N 1 0 226.320 0.668 10 0 BCAERO CO[C@@H]1C[NH2+][C@](C)(C(=O)N[C@@H](C)C2CC2)C1 ZINC000637893887 351765578 /nfs/dbraw/zinc/76/55/78/351765578.db2.gz WTECVXZSCAXPNV-PEXQALLHSA-N 1 0 226.320 0.668 10 0 BCAERO CC[NH2+][C@H](C)C(=O)N[C@H]1CCC[C@@H](O)C1 ZINC000637928124 351803671 /nfs/dbraw/zinc/80/36/71/351803671.db2.gz PDAJNXSOGKPIOH-KXUCPTDWSA-N 1 0 214.309 0.404 10 0 BCAERO CC[NH2+][C@H](C)C(=O)N[C@@H]1CCC[C@H](O)C1 ZINC000637928111 351803768 /nfs/dbraw/zinc/80/37/68/351803768.db2.gz PDAJNXSOGKPIOH-BBBLOLIVSA-N 1 0 214.309 0.404 10 0 BCAERO OC[C@@H]1CC[N@@H+]([C@@H]2CCO[C@@]23CCOC3)C1 ZINC000725268876 538101321 /nfs/dbraw/zinc/10/13/21/538101321.db2.gz DLFXUCKVWWISCY-IJLUTSLNSA-N 1 0 227.304 0.249 10 0 BCAERO CC[N@H+](CCO)[C@@H]1CCO[C@@]12CCOC2 ZINC000725268871 538101347 /nfs/dbraw/zinc/10/13/47/538101347.db2.gz DJFWUZSFIZQXTP-GHMZBOCLSA-N 1 0 215.293 0.249 10 0 BCAERO O=C(CCC1C[NH2+]C1)NC[C@@H]1CCC[C@H]1O ZINC000637964861 351838644 /nfs/dbraw/zinc/83/86/44/351838644.db2.gz MSZBXTIEKRKZIS-WDEREUQCSA-N 1 0 226.320 0.263 10 0 BCAERO CS(C)(=O)=NC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000307262214 351808675 /nfs/dbraw/zinc/80/86/75/351808675.db2.gz WLLODMAONWRHKZ-NKWVEPMBSA-N 1 0 204.295 0.368 10 0 BCAERO CC(C)[S@](=O)N1CC[NH2+]C[C@H](C)C1 ZINC000307262064 351808679 /nfs/dbraw/zinc/80/86/79/351808679.db2.gz WGUGDNNMFOGZTC-ZANVPECISA-N 1 0 204.339 0.600 10 0 BCAERO C[C@H]1C[C@H]1NC(=O)c1cnc(C[NH3+])nc1 ZINC000637934281 351811254 /nfs/dbraw/zinc/81/12/54/351811254.db2.gz MWWWQHUVEMTMQE-POYBYMJQSA-N 1 0 206.249 0.074 10 0 BCAERO O=C(CCC1C[NH2+]C1)N[C@H]1CCCOC1 ZINC000637982752 351858782 /nfs/dbraw/zinc/85/87/82/351858782.db2.gz XCIJHBOZKXAZGP-JTQLQIEISA-N 1 0 212.293 0.281 10 0 BCAERO COC(=O)[C@@H](C)NC[C@H]1C[NH2+]CC12CCC2 ZINC000725269368 538101491 /nfs/dbraw/zinc/10/14/91/538101491.db2.gz SSPIWSRBCQJJCH-NXEZZACHSA-N 1 0 226.320 0.527 10 0 BCAERO CC[N@H+](CCO)[C@H]1CCO[C@]12CCOC2 ZINC000725268873 538101537 /nfs/dbraw/zinc/10/15/37/538101537.db2.gz DJFWUZSFIZQXTP-QWRGUYRKSA-N 1 0 215.293 0.249 10 0 BCAERO CO[C@H]1COCC[C@]12[NH2+]CCCS2 ZINC000307295500 351906561 /nfs/dbraw/zinc/90/65/61/351906561.db2.gz HMPACCSKGXPAFK-DTWKUNHWSA-N 1 0 203.307 0.845 10 0 BCAERO CO[C@@H]1COCC[C@@]12[NH2+]CCCS2 ZINC000307295498 351906935 /nfs/dbraw/zinc/90/69/35/351906935.db2.gz HMPACCSKGXPAFK-BDAKNGLRSA-N 1 0 203.307 0.845 10 0 BCAERO C[C@@H]1SCC[C@@H]1[NH2+][C@@H]1COC[C@@H]1O ZINC000307297208 351908327 /nfs/dbraw/zinc/90/83/27/351908327.db2.gz PLUBRMJAZJIBMJ-MAUMQABQSA-N 1 0 203.307 0.230 10 0 BCAERO Cc1conc1C(=O)N[C@H]1CCC[NH2+][C@@H]1C ZINC000638205948 352068452 /nfs/dbraw/zinc/06/84/52/352068452.db2.gz KCHCPFFJSROWOD-BDAKNGLRSA-N 1 0 223.276 0.853 10 0 BCAERO C[C@@H]1OCC[C@H]1NC(=O)C1=CC[C@H]([NH3+])C1 ZINC000638168853 352033117 /nfs/dbraw/zinc/03/31/17/352033117.db2.gz ISGIFZKTRPYENZ-UJNFCWOMSA-N 1 0 210.277 0.328 10 0 BCAERO C[C@@H]1OCC[C@@H]1NC(=O)C1=CC[C@H]([NH3+])C1 ZINC000638168851 352033149 /nfs/dbraw/zinc/03/31/49/352033149.db2.gz ISGIFZKTRPYENZ-HGNGGELXSA-N 1 0 210.277 0.328 10 0 BCAERO C[C@H]1OCC[C@H]1NC(=O)CCC1C[NH2+]C1 ZINC000638170878 352037842 /nfs/dbraw/zinc/03/78/42/352037842.db2.gz RILOTNZSLBUVOJ-PSASIEDQSA-N 1 0 212.293 0.280 10 0 BCAERO C[NH2+][C@H](C)CNC(=O)[C@@H]1C[C@H](C)O[C@@H]1C ZINC000638221325 352080687 /nfs/dbraw/zinc/08/06/87/352080687.db2.gz HEDYTBQEHPLIDQ-UTINFBMNSA-N 1 0 214.309 0.524 10 0 BCAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)C1CCC=CCC1 ZINC000638230312 352083658 /nfs/dbraw/zinc/08/36/58/352083658.db2.gz MNHXQTBAZNGULW-RYUDHWBXSA-N 1 0 238.331 0.429 10 0 BCAERO Cc1cc(C)c(C(=O)N2CC[C@@H]([NH3+])[C@@H]2C)c(=O)[nH]1 ZINC000638234299 352085915 /nfs/dbraw/zinc/08/59/15/352085915.db2.gz ISJQISKQLZMINH-VHSXEESVSA-N 1 0 249.314 0.966 10 0 BCAERO CC(=O)N[C@@H](C(=O)N1CC[C@@H]([NH3+])[C@H]1C)C(C)C ZINC000638232304 352086771 /nfs/dbraw/zinc/08/67/71/352086771.db2.gz CHVZPCSZDBYKIK-FBIMIBRVSA-N 1 0 241.335 0.095 10 0 BCAERO [NH3+]Cc1cccc(NC(=O)[C@@H]2CCOC2)n1 ZINC000725270356 538102040 /nfs/dbraw/zinc/10/20/40/538102040.db2.gz IQTIWZOGTWIRMW-MRVPVSSYSA-N 1 0 221.260 0.515 10 0 BCAERO Cc1cc(C)c(C(=O)N2C[C@@H](C)[C@@H]([NH3+])C2)c(=O)[nH]1 ZINC000638329649 352150147 /nfs/dbraw/zinc/15/01/47/352150147.db2.gz AOKUFFCGXDAXAF-SCZZXKLOSA-N 1 0 249.314 0.823 10 0 BCAERO C[C@@H]1C[C@H](C(=O)N2C[C@H](C)[C@H]([NH3+])C2)[C@H](C)O1 ZINC000638333057 352151611 /nfs/dbraw/zinc/15/16/11/352151611.db2.gz QYNNZGZDMIUMAV-HPENLJRUSA-N 1 0 226.320 0.606 10 0 BCAERO CN1CCN(c2ccccn2)[C@@H](C[NH3+])C1 ZINC000226622807 363126093 /nfs/dbraw/zinc/12/60/93/363126093.db2.gz MNXLSLBEMPOWCB-JTQLQIEISA-N 1 0 206.293 0.161 10 0 BCAERO CCOC(=O)C12CCC([NH3+])(CC1)CC2=O ZINC000218607199 363131023 /nfs/dbraw/zinc/13/10/23/363131023.db2.gz SZBFBEZMGNARBK-UHFFFAOYSA-N 1 0 211.261 0.780 10 0 BCAERO CN(C)CC(=O)Nc1cccc(C[NH3+])n1 ZINC000725270616 538102409 /nfs/dbraw/zinc/10/24/09/538102409.db2.gz NQWKIXCXQNUBCY-UHFFFAOYSA-N 1 0 208.265 0.040 10 0 BCAERO C[C@H](C(N)=O)[N@@H+]1CCSCC[C@@H]1C ZINC000307352130 352258845 /nfs/dbraw/zinc/25/88/45/352258845.db2.gz BRQZEAAPPVQFDB-JGVFFNPUSA-N 1 0 202.323 0.688 10 0 BCAERO CCC[C@@H](CNC(=O)[C@@H]1CC[NH2+]C1)OCC ZINC000638458013 352269388 /nfs/dbraw/zinc/26/93/88/352269388.db2.gz QOECGCHDUUVHRF-MNOVXSKESA-N 1 0 228.336 0.917 10 0 BCAERO C[C@@H]1CCCN(S(=O)(=O)CC[NH3+])[C@H]1C ZINC000252157407 363181971 /nfs/dbraw/zinc/18/19/71/363181971.db2.gz NMUNODNBRQHBKE-BDAKNGLRSA-N 1 0 220.338 0.395 10 0 BCAERO C[C@@H]1C[NH2+]CCN(S(=O)(=O)C2CC2)C1 ZINC000307359343 352342204 /nfs/dbraw/zinc/34/22/04/352342204.db2.gz DDAFVJVRKKMNNE-MRVPVSSYSA-N 1 0 218.322 0.020 10 0 BCAERO COC(=O)C(=O)N(C)CC(C)(C)C[NH+](C)C ZINC000725270982 538103039 /nfs/dbraw/zinc/10/30/39/538103039.db2.gz WXXJSISMBRMONP-UHFFFAOYSA-N 1 0 230.308 0.206 10 0 BCAERO C[NH+](C)CC(=O)N[C@H]1CCc2c1cccc2N ZINC000725271850 538103389 /nfs/dbraw/zinc/10/33/89/538103389.db2.gz VHDCGVBXSXIIHV-LBPRGKRZSA-N 1 0 233.315 0.934 10 0 BCAERO C[NH+](C)CC(=O)N[C@@H]1CCc2c1cccc2N ZINC000725271849 538103414 /nfs/dbraw/zinc/10/34/14/538103414.db2.gz VHDCGVBXSXIIHV-GFCCVEGCSA-N 1 0 233.315 0.934 10 0 BCAERO COC[C@@H]([NH3+])C(=O)NCC[C@@H]1CC=CCC1 ZINC000638601219 352435930 /nfs/dbraw/zinc/43/59/30/352435930.db2.gz OAQUZTWUPHAMLV-GHMZBOCLSA-N 1 0 226.320 0.823 10 0 BCAERO CCC(=O)N1CCC2(CC1)C[NH2+]C[C@@H](C)O2 ZINC000725271882 538103445 /nfs/dbraw/zinc/10/34/45/538103445.db2.gz JVYKUWHXQLXONV-SNVBAGLBSA-N 1 0 226.320 0.766 10 0 BCAERO OC1(Cc2coc(Br)c2)C[NH2+]C1 ZINC000307370156 352457708 /nfs/dbraw/zinc/45/77/08/352457708.db2.gz OPLMYQOVOOEMHY-UHFFFAOYSA-N 1 0 232.077 0.919 10 0 BCAERO CC1CC(C(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC000638618362 352458251 /nfs/dbraw/zinc/45/82/51/352458251.db2.gz HDERHZNOJSSPKM-UDNWOFFPSA-N 1 0 212.293 0.137 10 0 BCAERO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000638628068 352466574 /nfs/dbraw/zinc/46/65/74/352466574.db2.gz JTKJCVVMKMMYCR-KCUSNBPKSA-N 1 0 240.347 0.770 10 0 BCAERO C[C@@H]1CC(F)(F)CCN1C(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000638630515 352470046 /nfs/dbraw/zinc/47/00/46/352470046.db2.gz OCXYBNZDACGLMM-IWSPIJDZSA-N 1 0 248.273 0.355 10 0 BCAERO C[NH2+][C@H](C)C(=O)N[C@H]1[C@@H](C)[C@@H](C)O[C@H]1C ZINC000638629364 352470106 /nfs/dbraw/zinc/47/01/06/352470106.db2.gz NDRXTQRGLZAVMF-MBXMOIHESA-N 1 0 214.309 0.522 10 0 BCAERO CC(C)[C@H]([NH3+])C(=O)N[C@H]1[C@@H](C)[C@@H](C)O[C@H]1C ZINC000638631080 352474047 /nfs/dbraw/zinc/47/40/47/352474047.db2.gz UQJCMYLPTJBFHA-SSRBZLIGSA-N 1 0 228.336 0.898 10 0 BCAERO C[NH2+]CCC1=NCCN1C(=O)C1(C)CC1 ZINC000725271973 538103610 /nfs/dbraw/zinc/10/36/10/538103610.db2.gz FNGHKSMXHIPUTM-UHFFFAOYSA-N 1 0 209.293 0.637 10 0 BCAERO CO[C@@H]1COCC[C@]12[NH2+]C[C@@H](C)S2 ZINC000307380644 352481745 /nfs/dbraw/zinc/48/17/45/352481745.db2.gz YLMLSKFLNNWMKT-IWSPIJDZSA-N 1 0 203.307 0.843 10 0 BCAERO O=C(CC1CC1)N1CCC[NH2+]CCOCC1 ZINC000725271971 538103934 /nfs/dbraw/zinc/10/39/34/538103934.db2.gz XJIAAEPLYBIQQD-UHFFFAOYSA-N 1 0 226.320 0.625 10 0 BCAERO C[C@@H](O)[C@@](C)(C[NH3+])c1ncc(Cl)cn1 ZINC000307386953 352547216 /nfs/dbraw/zinc/54/72/16/352547216.db2.gz CBMFTPVBLBSJOV-HZGVNTEJSA-N 1 0 215.684 0.727 10 0 BCAERO [NH3+][C@@H]1CC[C@H](C(=O)N2CCO[C@H](CCF)C2)C1 ZINC000638684445 352522261 /nfs/dbraw/zinc/52/22/61/352522261.db2.gz SHEYSPQAIFRMQF-HBNTYKKESA-N 1 0 244.310 0.701 10 0 BCAERO C/C=C/CNC(=O)[C@@]1(COC)CCC[NH2+]1 ZINC000638691184 352528154 /nfs/dbraw/zinc/52/81/54/352528154.db2.gz VGBBXFYKUBATHY-UFFNRZRYSA-N 1 0 212.293 0.447 10 0 BCAERO C[C@H]1C[C@H]([NH2+]C2CS(=O)(=O)C2)CS1 ZINC000307390286 352553747 /nfs/dbraw/zinc/55/37/47/352553747.db2.gz SCHHXIKGJCSEHE-BQBZGAKWSA-N 1 0 221.347 0.267 10 0 BCAERO COc1ccc([C@@H](O)C[NH2+]CCN(C)C)cc1 ZINC000032090325 187765550 /nfs/dbraw/zinc/76/55/50/187765550.db2.gz DOEBPVGLDIVLOC-ZDUSSCGKSA-N 1 0 238.331 0.880 10 0 BCAERO C[C@@H]1CC[C@H]1NC(=O)[C@H](F)C1C[NH2+]C1 ZINC000307460816 352610551 /nfs/dbraw/zinc/61/05/51/352610551.db2.gz IKSDMALNBAADQD-FTLITQJKSA-N 1 0 200.257 0.459 10 0 BCAERO C[C@@H](O)[C@H]([NH3+])CNC(=O)NCc1ccccc1 ZINC000232306753 352612150 /nfs/dbraw/zinc/61/21/50/352612150.db2.gz FBEVJJKODOEUIN-MWLCHTKSSA-N 1 0 237.303 0.194 10 0 BCAERO CC(C)(C)OC(=O)N1CC(C[NH3+])(CO)C1 ZINC000214918716 352564585 /nfs/dbraw/zinc/56/45/85/352564585.db2.gz INKWNSNYTUVBHB-UHFFFAOYSA-N 1 0 216.281 0.175 10 0 BCAERO COC(=O)C[C@H]([NH3+])C12C3C4C5C3C1C5C42 ZINC000498036464 352569951 /nfs/dbraw/zinc/56/99/51/352569951.db2.gz ICSTUWXQELJIRI-CGQMOTQBSA-N 1 0 205.257 0.245 10 0 BCAERO CCn1nncc1C(=O)[C@@H]1CCC[C@H]1[NH3+] ZINC000300819187 352576120 /nfs/dbraw/zinc/57/61/20/352576120.db2.gz GXCFCTSCWMTKBA-HTQZYQBOSA-N 1 0 208.265 0.608 10 0 BCAERO [NH3+][C@@H]1C[C@@H]1NC(=O)[C@@H]1CSCCS1 ZINC000307402809 352578246 /nfs/dbraw/zinc/57/82/46/352578246.db2.gz CBCDDJPVZQZREJ-VQVTYTSYSA-N 1 0 218.347 0.051 10 0 BCAERO CCC[C@H](C)C(=O)N1CC(F)(C[NH3+])C1 ZINC000725272840 538104648 /nfs/dbraw/zinc/10/46/48/538104648.db2.gz NBWSLUUAFLZBNH-QMMMGPOBSA-N 1 0 202.273 0.932 10 0 BCAERO CC(C)CN(C)[C@@H]1C[NH2+]CC[C@]1(C)O ZINC000300931472 352578855 /nfs/dbraw/zinc/57/88/55/352578855.db2.gz WECIHWIHERDINM-MNOVXSKESA-N 1 0 200.326 0.687 10 0 BCAERO C[C@@H](C[NH3+])NC(=O)[C@@H]1CCC(F)(F)C1 ZINC000301032434 352585719 /nfs/dbraw/zinc/58/57/19/352585719.db2.gz VLMCEWWKTNBMBS-NKWVEPMBSA-N 1 0 206.236 0.885 10 0 BCAERO C[C@H]1C[C@@H]([NH2+]Cc2nnnn2C)CS1 ZINC000307539062 352643468 /nfs/dbraw/zinc/64/34/68/352643468.db2.gz TVSMQTCEWKGRSS-NKWVEPMBSA-N 1 0 213.310 0.194 10 0 BCAERO C[NH+](C)[C@@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000307545785 352645931 /nfs/dbraw/zinc/64/59/31/352645931.db2.gz KKRYLDCZGTUISP-RKDXNWHRSA-N 1 0 205.323 0.904 10 0 BCAERO C[C@@H](C(N)=S)[N@@H+]1C[C@@H](O)C(C)(C)C1 ZINC000307549924 352647288 /nfs/dbraw/zinc/64/72/88/352647288.db2.gz QPDMKANLSZTRNU-NKWVEPMBSA-N 1 0 202.323 0.364 10 0 BCAERO C[C@H](C(N)=S)[N@@H+]1C[C@@H](O)C(C)(C)C1 ZINC000307549925 352647358 /nfs/dbraw/zinc/64/73/58/352647358.db2.gz QPDMKANLSZTRNU-RNFRBKRXSA-N 1 0 202.323 0.364 10 0 BCAERO COC(=O)[C@H]1C[NH2+]C[C@@H]1C1CCOCC1 ZINC000229213128 352652772 /nfs/dbraw/zinc/65/27/72/352652772.db2.gz NBYDJFXOZNFYIK-ZJUUUORDSA-N 1 0 213.277 0.422 10 0 BCAERO C[NH+](C)C[C@H]1COC[C@@H]1N1CCC(O)CC1 ZINC000725273896 538104795 /nfs/dbraw/zinc/10/47/95/538104795.db2.gz RAWZMNYEDQSYST-JQWIXIFHSA-N 1 0 228.336 0.020 10 0 BCAERO C[C@@H]1CSC[C@H]1NC(=O)C1([NH3+])CC1 ZINC000307581296 352660528 /nfs/dbraw/zinc/66/05/28/352660528.db2.gz CJWBTSMNIFISLT-RNFRBKRXSA-N 1 0 200.307 0.345 10 0 BCAERO [NH3+]C[C@@H](O)Cc1ccc(Br)o1 ZINC000307584923 352662095 /nfs/dbraw/zinc/66/20/95/352662095.db2.gz KBEAOTJLURPHCQ-YFKPBYRVSA-N 1 0 220.066 0.904 10 0 BCAERO NC(=O)CNc1cc(N)[nH+]cc1Br ZINC000307590295 352663677 /nfs/dbraw/zinc/66/36/77/352663677.db2.gz BYIZXNJOJQBPEL-UHFFFAOYSA-N 1 0 245.080 0.324 10 0 BCAERO Cc1cc(N(C)C[C@H](C)C[NH3+])n2ncnc2n1 ZINC000042455615 187775180 /nfs/dbraw/zinc/77/51/80/187775180.db2.gz AZSFTRDKNYLKNB-MRVPVSSYSA-N 1 0 234.307 0.464 10 0 BCAERO CC(C)N(CC1CC1)C(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000042591690 187776078 /nfs/dbraw/zinc/77/60/78/187776078.db2.gz DCHQIWOEYOQCTF-QWRGUYRKSA-N 1 0 226.320 0.356 10 0 BCAERO Cc1ccc([C@H]2C[NH2+]C[C@H]2C(N)=O)cn1 ZINC000229234546 352666227 /nfs/dbraw/zinc/66/62/27/352666227.db2.gz WKXXQQIOVOHZNX-NXEZZACHSA-N 1 0 205.261 0.178 10 0 BCAERO Cc1oncc1C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000044541263 187778872 /nfs/dbraw/zinc/77/88/72/187778872.db2.gz PYWCLVVWJAQOFR-SECBINFHSA-N 1 0 223.276 0.936 10 0 BCAERO C[NH+](C)C[C@@H]1COC[C@H]1N1CCC[C@@H](CO)C1 ZINC000725273869 538104853 /nfs/dbraw/zinc/10/48/53/538104853.db2.gz OTEYRQCLZLUFMP-JHJVBQTASA-N 1 0 242.363 0.267 10 0 BCAERO CC(C)N(CCO)C(=O)[C@H]1[NH2+]CCC[C@H]1C ZINC000051794157 187781328 /nfs/dbraw/zinc/78/13/28/187781328.db2.gz LLSFFQNWHLZQNR-MNOVXSKESA-N 1 0 228.336 0.604 10 0 BCAERO CC1(C)SC[C@@H]1[NH2+][C@@H]1COC[C@H]1O ZINC000307493726 352624717 /nfs/dbraw/zinc/62/47/17/352624717.db2.gz AVPZKYUMJDBVTF-PRJMDXOYSA-N 1 0 203.307 0.230 10 0 BCAERO COC[C@H]1C[NH2+]CCN1C(=O)C(C)(C)C ZINC000725273267 538105023 /nfs/dbraw/zinc/10/50/23/538105023.db2.gz RSMLHOFVKZRGOB-SECBINFHSA-N 1 0 214.309 0.479 10 0 BCAERO COc1ncccc1C(=O)N(C)[C@H]1CCC[NH2+]C1 ZINC000104347011 187804409 /nfs/dbraw/zinc/80/44/09/187804409.db2.gz YOLFUKBCROMVRY-JTQLQIEISA-N 1 0 249.314 0.914 10 0 BCAERO CC(C)[S@@](=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000307618295 352675952 /nfs/dbraw/zinc/67/59/52/352675952.db2.gz SXMZMWFKVFZKFR-VYUIOLGVSA-N 1 0 204.339 0.741 10 0 BCAERO CC(C)[S@](=O)N1CC[NH2+]CC1(C)C ZINC000307619895 352680128 /nfs/dbraw/zinc/68/01/28/352680128.db2.gz ZTDWCFIMCQHWHC-ZDUSSCGKSA-N 1 0 204.339 0.742 10 0 BCAERO C[NH2+]Cc1cnn(C)c1Br ZINC000215195008 352682138 /nfs/dbraw/zinc/68/21/38/352682138.db2.gz HDHMTUIWWHBWTM-UHFFFAOYSA-N 1 0 204.071 0.902 10 0 BCAERO CC(C)(O)c1nc(C2CC[NH2+]CC2)no1 ZINC000062253691 187835438 /nfs/dbraw/zinc/83/54/38/187835438.db2.gz BZMWJOOJWNOVBM-UHFFFAOYSA-N 1 0 211.265 0.764 10 0 BCAERO Cn1cnnc1CNC(=O)CC[NH2+]C(C)(C)C ZINC000038008172 180792840 /nfs/dbraw/zinc/79/28/40/180792840.db2.gz CABQWENBJGMKQV-UHFFFAOYSA-N 1 0 239.323 0.210 10 0 BCAERO COC[C@H]([NH3+])C(=O)NC[C@H]1CCCC12CC2 ZINC000638794797 352861417 /nfs/dbraw/zinc/86/14/17/352861417.db2.gz HJTXHAAQQXZAHN-ZJUUUORDSA-N 1 0 226.320 0.657 10 0 BCAERO C/C(=C/Cl)C[NH2+][C@H]1CC(=O)N(C)C1=O ZINC000393654961 352836012 /nfs/dbraw/zinc/83/60/12/352836012.db2.gz FNVCHHMFIULMSU-NGAMADIESA-N 1 0 216.668 0.476 10 0 BCAERO CCN1CCO[C@H](C[NH2+]Cc2ccnn2C)C1 ZINC000092052771 538105965 /nfs/dbraw/zinc/10/59/65/538105965.db2.gz HFXKNKSLPXDYHG-GFCCVEGCSA-N 1 0 238.335 0.230 10 0 BCAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)NC[C@H]1C[C@@H](OC)C1 ZINC000638809724 352987670 /nfs/dbraw/zinc/98/76/70/352987670.db2.gz WUCMPQRFETUPSR-CHWFTXMASA-N 1 0 228.336 0.901 10 0 BCAERO CC(C)S(=O)(=O)N1C[C@H]([NH3+])C[C@H]1C ZINC000306721991 353036709 /nfs/dbraw/zinc/03/67/09/353036709.db2.gz PHQLQCKNKSJEQP-HTQZYQBOSA-N 1 0 206.311 0.146 10 0 BCAERO Cn1cc(C(=O)c2ccc(C[NH3+])o2)nn1 ZINC000306647597 353032380 /nfs/dbraw/zinc/03/23/80/353032380.db2.gz DMSLNQDXWJVRMU-UHFFFAOYSA-N 1 0 206.205 0.098 10 0 BCAERO CC[C@](C)(NC(=O)[C@@H]([NH3+])COC)C1CC1 ZINC000638858497 353034951 /nfs/dbraw/zinc/03/49/51/353034951.db2.gz RFROICWMPIROIX-ONGXEEELSA-N 1 0 214.309 0.655 10 0 BCAERO C[C@H]1[C@H]([NH3+])CCN1C(=O)c1cnns1 ZINC000307701864 353002561 /nfs/dbraw/zinc/00/25/61/353002561.db2.gz SPKHRNIMVBMRSF-NTSWFWBYSA-N 1 0 212.278 0.100 10 0 BCAERO C[NH2+]Cc1nnc(-c2n[nH]cc2C)s1 ZINC000307147976 353057868 /nfs/dbraw/zinc/05/78/68/353057868.db2.gz PMJZKPAFRPUBDE-UHFFFAOYSA-N 1 0 209.278 0.956 10 0 BCAERO C[C@@H]1CN(C(=O)c2ccc[nH]2)C[C@@H]1C[NH3+] ZINC000638890040 353058681 /nfs/dbraw/zinc/05/86/81/353058681.db2.gz WMDSTWYMJLKHQM-BDAKNGLRSA-N 1 0 207.277 0.682 10 0 BCAERO CCOCCC(=O)N1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000638890497 353058710 /nfs/dbraw/zinc/05/87/10/353058710.db2.gz SJBUXUAOBLDDMQ-UWVGGRQHSA-N 1 0 214.309 0.466 10 0 BCAERO C[C@H]1CN(C(=O)c2ccc[nH]2)C[C@@H]1C[NH3+] ZINC000638890049 353058718 /nfs/dbraw/zinc/05/87/18/353058718.db2.gz WMDSTWYMJLKHQM-IUCAKERBSA-N 1 0 207.277 0.682 10 0 BCAERO CO[C@H](C)CCC(=O)N1C[C@H](C)[C@H](C[NH3+])C1 ZINC000638899987 353062424 /nfs/dbraw/zinc/06/24/24/353062424.db2.gz QVMCGQCVIOARLY-HBNTYKKESA-N 1 0 228.336 0.855 10 0 BCAERO COCC1(CC(=O)N2C[C@H](C)[C@H](C[NH3+])C2)CC1 ZINC000638900838 353062872 /nfs/dbraw/zinc/06/28/72/353062872.db2.gz HPWGEDQYOSAJTP-WDEREUQCSA-N 1 0 240.347 0.856 10 0 BCAERO C[C@@H]1CNC2(COCCOC2)SC1 ZINC000307305530 353067682 /nfs/dbraw/zinc/06/76/82/353067682.db2.gz IILRFUNGRZURCC-MRVPVSSYSA-N 1 0 203.307 0.702 10 0 BCAERO C[C@@H]1CN(C(=O)Cc2ccncc2)C[C@@H]1C[NH3+] ZINC000638906357 353068375 /nfs/dbraw/zinc/06/83/75/353068375.db2.gz XHMZVAGUTPVGBF-PWSUYJOCSA-N 1 0 233.315 0.677 10 0 BCAERO Cc1[nH]nc(C(=O)N2C[C@@H](C)[C@@H](C[NH3+])C2)c1C ZINC000638910330 353070056 /nfs/dbraw/zinc/07/00/56/353070056.db2.gz DJMABPDCYJTGFU-XCBNKYQSSA-N 1 0 236.319 0.693 10 0 BCAERO C[C@H]1CN(C(=O)c2cccn2C)C[C@H]1C[NH3+] ZINC000638884320 353051390 /nfs/dbraw/zinc/05/13/90/353051390.db2.gz GYOXRPQLVQFERY-VHSXEESVSA-N 1 0 221.304 0.692 10 0 BCAERO Cc1cc(C(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)nn1C ZINC000638886984 353053983 /nfs/dbraw/zinc/05/39/83/353053983.db2.gz BYBTTYDEQBGSBC-PSASIEDQSA-N 1 0 236.319 0.395 10 0 BCAERO C[C@H]1CN(C(=O)c2cc[nH]n2)C[C@H]1C[NH3+] ZINC000638887071 353054061 /nfs/dbraw/zinc/05/40/61/353054061.db2.gz CRNAAZFFJWFCTP-JGVFFNPUSA-N 1 0 208.265 0.077 10 0 BCAERO Cc1ccc(C(=O)N2C[C@@H](C)[C@@H](C[NH3+])C2)c(=O)[nH]1 ZINC000638886857 353054075 /nfs/dbraw/zinc/05/40/75/353054075.db2.gz JJUYDSGCMMCTDX-SCZZXKLOSA-N 1 0 249.314 0.762 10 0 BCAERO C[C@@H]1CN(C(=O)CC[C@@H]2CCCO2)C[C@H]1C[NH3+] ZINC000638887046 353054087 /nfs/dbraw/zinc/05/40/87/353054087.db2.gz CEMHWKAEKBXTSE-UTUOFQBUSA-N 1 0 240.347 0.999 10 0 BCAERO Cc1ncoc1C(=O)N1C[C@H](C)[C@H](C[NH3+])C1 ZINC000638892998 353054722 /nfs/dbraw/zinc/05/47/22/353054722.db2.gz LAOFWVSFAIRAKC-IONNQARKSA-N 1 0 223.276 0.650 10 0 BCAERO C[C@@H]1CN(C(=O)CCn2cccn2)C[C@@H]1C[NH3+] ZINC000638894393 353055163 /nfs/dbraw/zinc/05/51/63/353055163.db2.gz OGXOLVIIZKOJCK-MNOVXSKESA-N 1 0 236.319 0.326 10 0 BCAERO C[C@@H]1CN(C(=O)Cc2cccnc2)C[C@H]1C[NH3+] ZINC000638894020 353055183 /nfs/dbraw/zinc/05/51/83/353055183.db2.gz NFRMWSWKSWOAMF-ZYHUDNBSSA-N 1 0 233.315 0.677 10 0 BCAERO C[C@H]1CN(C(=O)Cc2cc[nH]n2)C[C@@H]1C[NH3+] ZINC000638894994 353055717 /nfs/dbraw/zinc/05/57/17/353055717.db2.gz SAISPXATBSTSLU-IUCAKERBSA-N 1 0 222.292 0.005 10 0 BCAERO C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C[NH3+] ZINC000638895014 353055866 /nfs/dbraw/zinc/05/58/66/353055866.db2.gz QSJDCYYBXCDVEE-CMPLNLGQSA-N 1 0 239.363 0.381 10 0 BCAERO C[C@@H]1CN(C(=O)[C@H]2CCCCO2)C[C@H]1C[NH3+] ZINC000638896547 353057178 /nfs/dbraw/zinc/05/71/78/353057178.db2.gz WZAJYZYPZMUILY-GMTAPVOTSA-N 1 0 226.320 0.609 10 0 BCAERO C[C@@H]1CN(C(=O)c2cscn2)C[C@@H]1C[NH3+] ZINC000638896544 353057245 /nfs/dbraw/zinc/05/72/45/353057245.db2.gz ZQICXQOYODMNIF-SFYZADRCSA-N 1 0 225.317 0.810 10 0 BCAERO C[C@@H]1CN(C(=O)[C@@H]2CCCCO2)C[C@H]1C[NH3+] ZINC000638896549 353057463 /nfs/dbraw/zinc/05/74/63/353057463.db2.gz WZAJYZYPZMUILY-MXWKQRLJSA-N 1 0 226.320 0.609 10 0 BCAERO C[C@@H]1C[NH2+]C[C@]12CCS(=O)(=O)[C@H]2C ZINC000307720184 353109558 /nfs/dbraw/zinc/10/95/58/353109558.db2.gz TUHMUEPTCSMQRE-HRDYMLBCSA-N 1 0 203.307 0.419 10 0 BCAERO C[C@H]1SC(NC2CS(=O)(=O)C2)=[NH+][C@H]1C ZINC000307499719 353079467 /nfs/dbraw/zinc/07/94/67/353079467.db2.gz LLZGVCIHWRKTBE-NTSWFWBYSA-N 1 0 234.346 0.253 10 0 BCAERO Cc1nn(C)cc1C(=O)N1C[C@H](C)[C@H](C[NH3+])C1 ZINC000638919486 353084312 /nfs/dbraw/zinc/08/43/12/353084312.db2.gz XVVBRYVEKQBKDQ-WCBMZHEXSA-N 1 0 236.319 0.395 10 0 BCAERO C[C@@H]([NH3+])Cn1cnc2sccc2c1=O ZINC000059107108 353100003 /nfs/dbraw/zinc/10/00/03/353100003.db2.gz PFVWQBZPNXZXBJ-ZCFIWIBFSA-N 1 0 209.274 0.805 10 0 BCAERO Cn1nccc1C[NH2+]C1CCS(=O)(=O)CC1 ZINC000036901381 180843592 /nfs/dbraw/zinc/84/35/92/180843592.db2.gz HZFLSWCCFSUBMV-UHFFFAOYSA-N 1 0 243.332 0.087 10 0 BCAERO CNC(=O)[C@H](C)O[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000223069862 353130604 /nfs/dbraw/zinc/13/06/04/353130604.db2.gz MOJLOVAUXNHMKE-DJLDLDEBSA-N 1 0 200.282 0.407 10 0 BCAERO Cc1nn(C)c(N(C)C)c1C[NH2+][C@@H](C)CO ZINC000309880930 353131375 /nfs/dbraw/zinc/13/13/75/353131375.db2.gz VHJBUNHRJOQKNM-QMMMGPOBSA-N 1 0 226.324 0.265 10 0 BCAERO CC(=O)NCC[NH2+][C@@H]1CCCC[C@@H]1O ZINC000037490923 188106723 /nfs/dbraw/zinc/10/67/23/188106723.db2.gz STYPYAXBUUJMDD-ZJUUUORDSA-N 1 0 200.282 0.016 10 0 BCAERO CC(C)(C)[C@H]([NH3+])Cn1nc2ccccn2c1=O ZINC000019396391 188107044 /nfs/dbraw/zinc/10/70/44/188107044.db2.gz JFFYUFHDERMILA-SECBINFHSA-N 1 0 234.303 0.869 10 0 BCAERO [NH3+]Cc1cccc(S(=O)(=O)NCC2CC2)c1 ZINC000019256900 188107314 /nfs/dbraw/zinc/10/73/14/188107314.db2.gz MFCPFQLOHXWYOH-UHFFFAOYSA-N 1 0 240.328 0.834 10 0 BCAERO CN(C(=O)Cc1ccsc1)[C@@H]1C[NH2+]C[C@H]1O ZINC000036261033 188112151 /nfs/dbraw/zinc/11/21/51/188112151.db2.gz QXDRSZGABYXNME-NXEZZACHSA-N 1 0 240.328 0.082 10 0 BCAERO CC(C)C[C@](C)(C[NH3+])N1CCS(=O)(=O)CC1 ZINC000036161085 188112612 /nfs/dbraw/zinc/11/26/12/188112612.db2.gz GJEWKDZKVZFBIY-LLVKDONJSA-N 1 0 248.392 0.480 10 0 BCAERO C1C[C@@H]2[C@H]([NH2+][C@@H]3CN4CCC3CC4)CCN2C1 ZINC000037169103 188113367 /nfs/dbraw/zinc/11/33/67/188113367.db2.gz OXZYWGOQEYKTCG-MGPQQGTHSA-N 1 0 235.375 0.907 10 0 BCAERO Cn1nnnc1Sc1ccnc(C[NH3+])c1 ZINC000061812263 180877021 /nfs/dbraw/zinc/87/70/21/180877021.db2.gz DXQZBNKRPJWKDA-UHFFFAOYSA-N 1 0 222.277 0.215 10 0 BCAERO CC(C)N1C(=O)C[C@H]([NH2+]C[C@H](C)N(C)C)C1=O ZINC000038089023 188116952 /nfs/dbraw/zinc/11/69/52/188116952.db2.gz ZCOIUQKYLUQLBZ-UWVGGRQHSA-N 1 0 241.335 0.062 10 0 BCAERO Cc1ccccc1[C@@H](CO)N1CC[NH2+]CC1 ZINC000038120807 188117318 /nfs/dbraw/zinc/11/73/18/188117318.db2.gz GPUYODURJVSNRB-CYBMUJFWSA-N 1 0 220.316 0.934 10 0 BCAERO CC(=O)N1CCN([C@H]2CCCC[C@H]2[NH3+])CC1 ZINC000040431754 188118512 /nfs/dbraw/zinc/11/85/12/188118512.db2.gz VELYQGNHOYTWCA-NEPJUHHUSA-N 1 0 225.336 0.420 10 0 BCAERO CC(C)C[C@@H]([NH3+])C(=O)N1CCOCC1(C)C ZINC000042462988 188119187 /nfs/dbraw/zinc/11/91/87/188119187.db2.gz WVIPMZHEQAPTEB-SNVBAGLBSA-N 1 0 228.336 0.997 10 0 BCAERO CC(C)N(CCCO)C(=O)[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000042526365 188120600 /nfs/dbraw/zinc/12/06/00/188120600.db2.gz BCWCARMTSOYQTP-VXGBXAGGSA-N 1 0 242.363 0.994 10 0 BCAERO CC(=O)N1CCCN([C@@H]2CCC[C@@H]2[NH3+])CC1 ZINC000042681270 188120627 /nfs/dbraw/zinc/12/06/27/188120627.db2.gz DKTVSKATQFXZKF-NWDGAFQWSA-N 1 0 225.336 0.420 10 0 BCAERO CC(=O)N1CCCN(CCC[NH2+]C(C)C)CC1 ZINC000042681338 188121075 /nfs/dbraw/zinc/12/10/75/188121075.db2.gz ROZTWCYGFIFNQL-UHFFFAOYSA-N 1 0 241.379 0.929 10 0 BCAERO COc1nccnc1CN(C)C1CC[NH2+]CC1 ZINC000095071588 188145213 /nfs/dbraw/zinc/14/52/13/188145213.db2.gz WEXGNGVHWXZKRN-UHFFFAOYSA-N 1 0 236.319 0.669 10 0 BCAERO CSc1nccc(N[C@H]2CC[NH2+]C2)n1 ZINC000095071855 188145455 /nfs/dbraw/zinc/14/54/55/188145455.db2.gz DULUISDAFACXFW-ZETCQYMHSA-N 1 0 210.306 0.972 10 0 BCAERO C([C@H]1CCOC1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000223047620 188145525 /nfs/dbraw/zinc/14/55/25/188145525.db2.gz OYXRPWPMTVPOHO-VXGBXAGGSA-N 1 0 210.321 0.803 10 0 BCAERO Cc1ccc(CNC(=O)[C@H]2C[C@H](F)C[NH2+]2)o1 ZINC000638989282 353217047 /nfs/dbraw/zinc/21/70/47/353217047.db2.gz GZYOBQXRDXEDTN-WCBMZHEXSA-N 1 0 226.251 0.904 10 0 BCAERO CC(C)N(C)S(=O)(=O)C1CC[NH2+]CC1 ZINC000049632188 188125351 /nfs/dbraw/zinc/12/53/51/188125351.db2.gz PUHWJDIIDBCQAR-UHFFFAOYSA-N 1 0 220.338 0.408 10 0 BCAERO CC(C)[N@H+](CCCO)CC1(CO)CCOCC1 ZINC000052199911 188126243 /nfs/dbraw/zinc/12/62/43/188126243.db2.gz RRHSBPRRTBVDRP-UHFFFAOYSA-N 1 0 245.363 0.868 10 0 BCAERO CC(C)(C)NC(=[NH2+])N1CCC(CC(N)=O)CC1 ZINC000052039545 188126269 /nfs/dbraw/zinc/12/62/69/188126269.db2.gz XWHWZDJUOAQGSN-UHFFFAOYSA-N 1 0 240.351 0.897 10 0 BCAERO [NH3+]Cc1ccccc1CN1C(=O)C=CC1=O ZINC000061841538 188128156 /nfs/dbraw/zinc/12/81/56/188128156.db2.gz LCCOPWDQMFXHPZ-UHFFFAOYSA-N 1 0 216.240 0.570 10 0 BCAERO CCN(c1ncnc2c1cnn2C)[C@H]1CC[NH2+]C1 ZINC000071314331 188130046 /nfs/dbraw/zinc/13/00/46/188130046.db2.gz BUIMWQRUCJTTIR-VIFPVBQESA-N 1 0 246.318 0.552 10 0 BCAERO CC(C)N(C)S(=O)(=O)C[C@H]1CCC[NH2+]1 ZINC000049632186 188153458 /nfs/dbraw/zinc/15/34/58/188153458.db2.gz FNPCYWUJALUVHY-SECBINFHSA-N 1 0 220.338 0.408 10 0 BCAERO COc1ccc(OC[C@@](C)(O)C[NH3+])cc1 ZINC000019667965 188173076 /nfs/dbraw/zinc/17/30/76/188173076.db2.gz IQOAQWFCDSGMBW-NSHDSACASA-N 1 0 211.261 0.784 10 0 BCAERO CC(=O)N1CC[NH+](C(C)(C)C(N)=S)CC1 ZINC000019935839 188173687 /nfs/dbraw/zinc/17/36/87/188173687.db2.gz IMKJBWDIJUOOPY-UHFFFAOYSA-N 1 0 229.349 0.215 10 0 BCAERO CC(=O)CCC(=O)N1C[C@@H](C)[C@@H]([NH+](C)C)C1 ZINC000123992962 188188481 /nfs/dbraw/zinc/18/84/81/188188481.db2.gz JVIFXRVQDCCDEO-KOLCDFICSA-N 1 0 226.320 0.764 10 0 BCAERO CC(C)([NH3+])C(=O)NC[C@@H](O)Cc1ccccc1 ZINC000236795776 188191071 /nfs/dbraw/zinc/19/10/71/188191071.db2.gz DORHLLUOZUQWJA-NSHDSACASA-N 1 0 236.315 0.444 10 0 BCAERO CC(C)(O)c1cn([C@H]2CCCC[C@H]2[NH3+])nn1 ZINC000238852849 188192570 /nfs/dbraw/zinc/19/25/70/188192570.db2.gz HKBLQTVOWXHXQK-BDAKNGLRSA-N 1 0 224.308 0.948 10 0 BCAERO COc1ccc(C(=O)N(C)C2C[NH2+]C2)cc1F ZINC000090289732 188221801 /nfs/dbraw/zinc/22/18/01/188221801.db2.gz VCVHMXCTNITSMY-UHFFFAOYSA-N 1 0 238.262 0.878 10 0 BCAERO C[NH+]1CCN(COc2ccc(N)cc2)CC1 ZINC000390179949 353277132 /nfs/dbraw/zinc/27/71/32/353277132.db2.gz JLNSVDWJVCUFDQ-UHFFFAOYSA-N 1 0 221.304 0.853 10 0 BCAERO COc1c(C[NH2+]CC2(CO)CC2)c(C)nn1C ZINC000135562624 538115474 /nfs/dbraw/zinc/11/54/74/538115474.db2.gz RAWHARKZDRRODF-UHFFFAOYSA-N 1 0 239.319 0.599 10 0 BCAERO COC[C@@H](C)[NH2+][C@H](C)C(=O)N(C)C(C)C ZINC000309095213 538117588 /nfs/dbraw/zinc/11/75/88/538117588.db2.gz DRFKKJDTQXFNMH-NXEZZACHSA-N 1 0 216.325 0.866 10 0 BCAERO CC(C(=O)N[C@H]1CCSC1)=C1C[NH2+]C1 ZINC000231352307 353595455 /nfs/dbraw/zinc/59/54/55/353595455.db2.gz HPQOAQSBIUCTCK-VIFPVBQESA-N 1 0 212.318 0.528 10 0 BCAERO CN(Cc1ncnn1C)[C@H]1CCC[NH2+]CC1 ZINC000231669805 353642200 /nfs/dbraw/zinc/64/22/00/353642200.db2.gz CDKJHIFNJNXTCB-JTQLQIEISA-N 1 0 223.324 0.389 10 0 BCAERO CC(=O)N1CCC([NH2+]C[C@@H](C)N(C)C)CC1 ZINC000038087828 188473198 /nfs/dbraw/zinc/47/31/98/188473198.db2.gz XJGLLJRAVVIWGD-SNVBAGLBSA-N 1 0 227.352 0.537 10 0 BCAERO c1cnc2c(c1)nccc2NC1C[NH2+]C1 ZINC000379139997 353701225 /nfs/dbraw/zinc/70/12/25/353701225.db2.gz AIWVDKLDSKCOFO-UHFFFAOYSA-N 1 0 200.245 0.435 10 0 BCAERO C[C@H](CC(N)=S)[N@@H+]1CCOC[C@H]1C ZINC000252439375 363249555 /nfs/dbraw/zinc/24/95/55/363249555.db2.gz NSNZJXQBBUYCHX-HTQZYQBOSA-N 1 0 202.323 0.772 10 0 BCAERO CCCCOC[C@H](O)C[N@@H+]1C[C@H](O)[C@@H](CC)C1 ZINC000400024537 353773015 /nfs/dbraw/zinc/77/30/15/353773015.db2.gz DYCFFENJUOFLAY-XQQFMLRXSA-N 1 0 245.363 0.867 10 0 BCAERO CC(C)S(=O)(=O)CCCN(C)[C@H]1CC[NH2+]C1 ZINC000563888064 353795928 /nfs/dbraw/zinc/79/59/28/353795928.db2.gz YIGMVPRJUBHQGB-NSHDSACASA-N 1 0 248.392 0.493 10 0 BCAERO CCCS(=O)(=O)N1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000233257390 353809139 /nfs/dbraw/zinc/80/91/39/353809139.db2.gz MSVQKDLPMNVFFL-SFYZADRCSA-N 1 0 206.311 0.005 10 0 BCAERO COC(=O)[C@H](c1cccs1)N1CC[NH2+]CC1 ZINC000041672513 188504400 /nfs/dbraw/zinc/50/44/00/188504400.db2.gz MVJNJWMTNKWVBF-JTQLQIEISA-N 1 0 240.328 0.867 10 0 BCAERO C[C@@H]([NH3+])CNC(=O)[C@H]1CCC(F)(F)C1 ZINC000301037934 363359035 /nfs/dbraw/zinc/35/90/35/363359035.db2.gz XWNJZFCEORBHBW-RQJHMYQMSA-N 1 0 206.236 0.885 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N1C[C@@H](C)OC[C@H]1C ZINC000232013892 363360385 /nfs/dbraw/zinc/36/03/85/363360385.db2.gz FPXXSHUHHHADSX-BBBLOLIVSA-N 1 0 214.309 0.750 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)N2CC[NH2+][C@@H](C)[C@@H]2C)O1 ZINC000379449332 358488417 /nfs/dbraw/zinc/48/84/17/358488417.db2.gz ANALHVAKXBARRT-VPOLOUISSA-N 1 0 226.320 0.763 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N[C@@H]1CCO[C@H](C)C1 ZINC000233354206 363399739 /nfs/dbraw/zinc/39/97/39/363399739.db2.gz HDXQSPUJIBHROD-BBBLOLIVSA-N 1 0 214.309 0.798 10 0 BCAERO CCC1(CNC(=O)[C@@H]([NH3+])COC)CCC1 ZINC000232930936 363389210 /nfs/dbraw/zinc/38/92/10/363389210.db2.gz FBAFDSIPGGOMGH-VIFPVBQESA-N 1 0 214.309 0.657 10 0 BCAERO CCC1(CNC(=O)[C@@H]([NH3+])COC)CC1 ZINC000232930883 363389223 /nfs/dbraw/zinc/38/92/23/363389223.db2.gz SNSUAUROKCMMTA-QMMMGPOBSA-N 1 0 200.282 0.267 10 0 BCAERO C[NH2+][C@H](C)C(=O)NCCOCC1CC1 ZINC000234429032 363420960 /nfs/dbraw/zinc/42/09/60/363420960.db2.gz GXYFKCJFYQAYKO-MRVPVSSYSA-N 1 0 200.282 0.137 10 0 BCAERO CSCCC(=O)N1C[C@H]([NH3+])[C@@H](C)C1 ZINC000235032608 363436278 /nfs/dbraw/zinc/43/62/78/363436278.db2.gz AVEBGVCMDFAUJK-YUMQZZPRSA-N 1 0 202.323 0.545 10 0 BCAERO C[C@@H](N)[C@@H](CO)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000224817606 363442837 /nfs/dbraw/zinc/44/28/37/363442837.db2.gz OIJPSJNQQURUCU-LMLFDSFASA-N 1 0 200.326 0.672 10 0 BCAERO CC/C=C\CC[N@@H+]1CCC[C@](O)(C(N)=O)C1 ZINC000346587670 355002192 /nfs/dbraw/zinc/00/21/92/355002192.db2.gz MKRTVEANXQEQBQ-VSQXVHSFSA-N 1 0 226.320 0.655 10 0 BCAERO O=C(CC1CCC1)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000335195139 355028341 /nfs/dbraw/zinc/02/83/41/355028341.db2.gz RUQNTXVWUNYIRK-WDEREUQCSA-N 1 0 224.304 0.376 10 0 BCAERO CCOCCN(CC)C(=O)[C@H]1C[C@@H](OC)C[NH2+]1 ZINC000111124891 355306410 /nfs/dbraw/zinc/30/64/10/355306410.db2.gz KSAVALVOSVJXKM-GHMZBOCLSA-N 1 0 244.335 0.248 10 0 BCAERO CC(C)S(=O)(=O)N1CC[C@@](C)([NH3+])C1 ZINC000405833729 355329783 /nfs/dbraw/zinc/32/97/83/355329783.db2.gz STCDHMFRWLBVNJ-MRVPVSSYSA-N 1 0 206.311 0.148 10 0 BCAERO NC(=[NH2+])CCN(c1ncnc2nc[nH]c21)C1CC1 ZINC000042548328 181186355 /nfs/dbraw/zinc/18/63/55/181186355.db2.gz DLXSWMABUSLHCH-UHFFFAOYSA-N 1 0 245.290 0.648 10 0 BCAERO [NH2+]=C1NC[C@H](c2ncc(Cl)s2)N1 ZINC000223337158 355374896 /nfs/dbraw/zinc/37/48/96/355374896.db2.gz SHCSBNFLEWRBPL-GSVOUGTGSA-N 1 0 202.670 0.756 10 0 BCAERO NC(=[NH2+])Nc1ccc([C@@H]([NH3+])P(=O)([O-])[O-])cc1 ZINC000096927712 181190663 /nfs/dbraw/zinc/19/06/63/181190663.db2.gz BSLYPYFABFFNHY-ZETCQYMHSA-N 1 0 244.191 0.127 10 0 BCAERO NC(=[NH2+])c1ccc(SC[C@@H](O)CO)c(F)c1 ZINC000062566081 181194794 /nfs/dbraw/zinc/19/47/94/181194794.db2.gz QFUSWDFBRIEHAT-ZETCQYMHSA-N 1 0 244.291 0.555 10 0 BCAERO NC(=[NH2+])c1ccc(N2CCC[C@@H]2CO)cc1 ZINC000042432918 181194969 /nfs/dbraw/zinc/19/49/69/181194969.db2.gz UNUBOEXJEDSXIC-LLVKDONJSA-N 1 0 219.288 0.932 10 0 BCAERO C[NH2+][C@H](C)C(=O)NC[C@@H]1CCO[C@@H](C)C1 ZINC000389040304 355527394 /nfs/dbraw/zinc/52/73/94/355527394.db2.gz QMXAQKKPXMMZPR-IVZWLZJFSA-N 1 0 214.309 0.526 10 0 BCAERO [NH2+]=C(Nc1ncccn1)N1CCOCC1 ZINC000253575547 181200122 /nfs/dbraw/zinc/20/01/22/181200122.db2.gz UTJIFZMDFDTDKA-UHFFFAOYSA-N 1 0 207.237 0.155 10 0 BCAERO O=C(NCC(F)(F)F)N[C@@H]1CC[NH2+]C1 ZINC000166519629 355667091 /nfs/dbraw/zinc/66/70/91/355667091.db2.gz XFEOPYRUSKCHHH-RXMQYKEDSA-N 1 0 211.187 0.210 10 0 BCAERO Oc1ccccc1CCN[C@H]1CC[NH2+]C1 ZINC000215949522 355626687 /nfs/dbraw/zinc/62/66/87/355626687.db2.gz BAGXAPJHZWQFSV-NSHDSACASA-N 1 0 206.289 0.886 10 0 BCAERO CO[C@@H](C[NH2+]C[C@H]1CC(=O)N(C)C1)C1CC1 ZINC000639319463 355711804 /nfs/dbraw/zinc/71/18/04/355711804.db2.gz CWCDPMHJHMBYOY-KOLCDFICSA-N 1 0 226.320 0.479 10 0 BCAERO Cc1cnc(C[NH2+]C[C@H]2CC(=O)N(C)C2)o1 ZINC000639318968 355712920 /nfs/dbraw/zinc/71/29/20/355712920.db2.gz ALRMUJDTOVMQME-SECBINFHSA-N 1 0 223.276 0.551 10 0 BCAERO CO[C@@]1(C[NH2+]C2CC(CO)C2)CCOC1 ZINC000639334642 355765518 /nfs/dbraw/zinc/76/55/18/355765518.db2.gz HXPQNQRNRIKYHZ-VQXHTEKXSA-N 1 0 215.293 0.152 10 0 BCAERO CCN1CC[C@H]([NH2+]Cc2ccc(CO)o2)C1 ZINC000389186446 355775686 /nfs/dbraw/zinc/77/56/86/355775686.db2.gz SHDJEQQIHXJQGG-JTQLQIEISA-N 1 0 224.304 0.956 10 0 BCAERO C[C@@H](C[NH3+])c1c(Br)nnn1C ZINC000216016496 355796326 /nfs/dbraw/zinc/79/63/26/355796326.db2.gz ZJYLDSQFAWSIND-BYPYZUCNSA-N 1 0 219.086 0.640 10 0 BCAERO CO[C@H](C[NH2+][C@H]1CCOC[C@H]1O)C1CC1 ZINC000639353737 355803277 /nfs/dbraw/zinc/80/32/77/355803277.db2.gz ANWJVAIKUYIPGM-HBNTYKKESA-N 1 0 215.293 0.151 10 0 BCAERO Cn1cc(CCC[NH2+][C@H]2CCOC[C@@H]2O)cn1 ZINC000639354347 355806143 /nfs/dbraw/zinc/80/61/43/355806143.db2.gz HDJUOQWFWWTUFQ-RYUDHWBXSA-N 1 0 239.319 0.092 10 0 BCAERO CC[C@](C)(C[NH2+][C@@H]1CCOC[C@@H]1O)OC ZINC000639355838 355809893 /nfs/dbraw/zinc/80/98/93/355809893.db2.gz ZCZDIFNJHRLNCT-OUAUKWLOSA-N 1 0 217.309 0.541 10 0 BCAERO COC(=O)CCC[NH2+][C@H]1CCO[C@H]1C ZINC000134386535 355854854 /nfs/dbraw/zinc/85/48/54/355854854.db2.gz MCEQDMODVGZHNV-IUCAKERBSA-N 1 0 201.266 0.707 10 0 BCAERO CC(C)(CO)[NH2+][C@@H]1CCCCNC1=O ZINC000035188335 355877359 /nfs/dbraw/zinc/87/73/59/355877359.db2.gz ABJMMYVKVUONEG-MRVPVSSYSA-N 1 0 200.282 0.016 10 0 BCAERO NC(=O)C1CCC([NH2+][C@@H]2CCCC[C@H]2O)CC1 ZINC000038091878 181216766 /nfs/dbraw/zinc/21/67/66/181216766.db2.gz HVSDGJHNMLRYJP-KIDURHIOSA-N 1 0 240.347 0.924 10 0 BCAERO [NH3+]CC1(CN2CCS(=O)CC2)CCC1 ZINC000168535134 355886289 /nfs/dbraw/zinc/88/62/89/355886289.db2.gz RZMFYXIQVJPOJY-UHFFFAOYSA-N 1 0 216.350 0.180 10 0 BCAERO NC(=O)C1CCN([C@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000040431749 181217966 /nfs/dbraw/zinc/21/79/66/181217966.db2.gz OAQFWQMWBQQCGR-QWRGUYRKSA-N 1 0 225.336 0.454 10 0 BCAERO NC(=O)CC[N@@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000042247950 181224704 /nfs/dbraw/zinc/22/47/04/181224704.db2.gz ZPTMECYSMASCIE-UWVGGRQHSA-N 1 0 212.293 0.505 10 0 BCAERO NC(=O)CCN1CCC([NH+]2CCCCC2)CC1 ZINC000042251605 181223247 /nfs/dbraw/zinc/22/32/47/181223247.db2.gz XJBJMKZECNAKLB-UHFFFAOYSA-N 1 0 239.363 0.812 10 0 BCAERO NC(=O)CC[NH2+]C[C@@H](O)c1cc(F)ccc1F ZINC000037891633 181225939 /nfs/dbraw/zinc/22/59/39/181225939.db2.gz LZAAMXOOQYMFDF-SNVBAGLBSA-N 1 0 244.241 0.463 10 0 BCAERO NC(=O)CC[C@@H]([NH3+])c1ccc2c(c1)COC2 ZINC000062334060 181227027 /nfs/dbraw/zinc/22/70/27/181227027.db2.gz SUQDXSLOEFWYCU-LLVKDONJSA-N 1 0 220.272 0.982 10 0 BCAERO NC(=O)CCn1c(N)[nH+]c2ccccc21 ZINC000036747611 181227656 /nfs/dbraw/zinc/22/76/56/181227656.db2.gz LVGMZGXVCRTQCV-UHFFFAOYSA-N 1 0 204.233 0.494 10 0 BCAERO NC(=O)CN(C1CCCC1)[C@H]1CCCC[C@@H]1[NH3+] ZINC000042438623 181229256 /nfs/dbraw/zinc/22/92/56/181229256.db2.gz SYXOYWBDRNHCEC-RYUDHWBXSA-N 1 0 239.363 0.986 10 0 BCAERO NC(=O)C[N@@H+](Cc1cccc(N)c1)CC1CC1 ZINC000036765454 181229924 /nfs/dbraw/zinc/22/99/24/181229924.db2.gz MVDWDGGPQBGSHI-UHFFFAOYSA-N 1 0 233.315 0.966 10 0 BCAERO NC(=O)CN1CCC(Nc2cc[nH+]cc2)CC1 ZINC000038007327 181230974 /nfs/dbraw/zinc/23/09/74/181230974.db2.gz GEQYALMKWLPUHV-UHFFFAOYSA-N 1 0 234.303 0.443 10 0 BCAERO NC(=O)N1CCC([NH2+]C[C@@H]2CCCO2)CC1 ZINC000037215294 181250236 /nfs/dbraw/zinc/25/02/36/181250236.db2.gz RVCLBHZPSGRKOM-JTQLQIEISA-N 1 0 227.308 0.298 10 0 BCAERO NC(=O)C[C@@H]([NH3+])c1cc2c(c(Cl)c1)OCO2 ZINC000036897095 181241259 /nfs/dbraw/zinc/24/12/59/181241259.db2.gz BHDWXQFKJUCZKI-SSDOTTSWSA-N 1 0 242.662 0.944 10 0 BCAERO NC(=O)N1CCC([NH2+]C[C@H]2CCOC2)CC1 ZINC000037738933 181251030 /nfs/dbraw/zinc/25/10/30/181251030.db2.gz IZNJFMUBHRSYSO-SECBINFHSA-N 1 0 227.308 0.156 10 0 BCAERO O[C@@H]1C[NH2+]C[C@H]1CNc1ccncc1Cl ZINC000420252667 192188401 /nfs/dbraw/zinc/18/84/01/192188401.db2.gz OJLWNIZIVUTQNG-OIBJUYFYSA-N 1 0 227.695 0.149 10 0 BCAERO NC(=O)[C@@H]([NH2+]CC1CC1)C1CCOCC1 ZINC000052178916 181265314 /nfs/dbraw/zinc/26/53/14/181265314.db2.gz MGHFRRWAQWRLHX-JTQLQIEISA-N 1 0 212.293 0.267 10 0 BCAERO NC(=O)[C@@H]([NH3+])CCC(=O)Nc1ccccc1 ZINC000040918992 181264470 /nfs/dbraw/zinc/26/44/70/181264470.db2.gz AAJUUVKJDXQMDP-VIFPVBQESA-N 1 0 221.260 0.218 10 0 BCAERO NC(=O)[C@@H]([NH2+]C1CC1)c1ccc(O)cc1 ZINC000037870501 181264912 /nfs/dbraw/zinc/26/49/12/181264912.db2.gz XRBJCUSVCUEFFX-JTQLQIEISA-N 1 0 206.245 0.671 10 0 BCAERO NC(=O)[C@@H](c1cccs1)N1CC[NH2+]CC1 ZINC000041672022 181266338 /nfs/dbraw/zinc/26/63/38/181266338.db2.gz IOXBXNVVCYEBHE-SECBINFHSA-N 1 0 225.317 0.180 10 0 BCAERO NC(=O)[C@@H]1CCC[N@@H+](CCCC(N)=S)C1 ZINC000019504021 181269272 /nfs/dbraw/zinc/26/92/72/181269272.db2.gz OCGGIUNRUSYSQW-MRVPVSSYSA-N 1 0 229.349 0.250 10 0 BCAERO NC(=O)[C@@H]1C[NH2+]C[C@@H](c2ccccc2)C1 ZINC000082163213 181272250 /nfs/dbraw/zinc/27/22/50/181272250.db2.gz FLBLONKUAGMTEW-QWRGUYRKSA-N 1 0 204.273 0.865 10 0 BCAERO CC(C)N1CC[C@@H](N2C[C@@H](C)[C@@H]([NH3+])C2)C1=O ZINC000420381667 192234705 /nfs/dbraw/zinc/23/47/05/192234705.db2.gz RZUHMQIOXJJKTH-OUAUKWLOSA-N 1 0 225.336 0.275 10 0 BCAERO CC(C)(C)OC(=O)N1CC[C@@H]([NH3+])[C@H](O)CC1 ZINC000140256831 356455090 /nfs/dbraw/zinc/45/50/90/356455090.db2.gz BZEQVAJFRNQUDE-RKDXNWHRSA-N 1 0 230.308 0.706 10 0 BCAERO NC(=O)[C@@]1(O)CCC[N@@H+](C2CCCC2)C1 ZINC000309035317 181276458 /nfs/dbraw/zinc/27/64/58/181276458.db2.gz FPJIVDSUBIRGFN-LLVKDONJSA-N 1 0 212.293 0.241 10 0 BCAERO NC(=O)[C@H](c1ccc(O)cc1)N1CCC[NH2+]CC1 ZINC000037943859 181278013 /nfs/dbraw/zinc/27/80/13/181278013.db2.gz UXZHNYANNCCQOB-LBPRGKRZSA-N 1 0 249.314 0.214 10 0 BCAERO NC(=O)[C@H]([NH2+]C[C@@H]1CCCO1)[C@H]1CC=CCC1 ZINC000037943183 181278058 /nfs/dbraw/zinc/27/80/58/181278058.db2.gz MDDFVJPFHPBRNY-SDDRHHMPSA-N 1 0 238.331 0.965 10 0 BCAERO NC(=O)[C@H]1CCCN1C[C@@H]1CCCC[NH2+]1 ZINC000043493880 181282787 /nfs/dbraw/zinc/28/27/87/181282787.db2.gz WGAPJPIGKVAFEZ-VHSXEESVSA-N 1 0 211.309 0.078 10 0 BCAERO NC(=O)[C@]1(O)CCC[N@H+](CCc2ccccc2)C1 ZINC000284887157 181284439 /nfs/dbraw/zinc/28/44/39/181284439.db2.gz QZLDRAGHSOHLAS-AWEZNQCLSA-N 1 0 248.326 0.541 10 0 BCAERO C[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000613521170 363473476 /nfs/dbraw/zinc/47/34/76/363473476.db2.gz AYXXFGKAHHWRPK-LSCVPOLPSA-N 1 0 238.331 0.215 10 0 BCAERO C[C@H](N)[C@H](CO)[N@@H+]1CCCCC[C@@H]1C ZINC000224823217 363495691 /nfs/dbraw/zinc/49/56/91/363495691.db2.gz HPEUYGIYTZFQQF-DCAQKATOSA-N 1 0 200.326 0.959 10 0 BCAERO CCCNC(=O)N1CC[C@@H]2CC[NH2+]C[C@@H]21 ZINC000675057140 538479090 /nfs/dbraw/zinc/47/90/90/538479090.db2.gz WIMCVIPWJPWEBF-UWVGGRQHSA-N 1 0 211.309 0.790 10 0 BCAERO CC(C)[C@@H](C)C(=O)N(C1C[NH2+]C1)C1COC1 ZINC000675056864 538479237 /nfs/dbraw/zinc/47/92/37/538479237.db2.gz XJSRPHWNCFMPET-SECBINFHSA-N 1 0 226.320 0.478 10 0 BCAERO CC(=O)NC[C@H]1[NH2+]CCOc2ccccc21 ZINC000675057404 538479843 /nfs/dbraw/zinc/47/98/43/538479843.db2.gz AAJZBRKXTRUMJH-LLVKDONJSA-N 1 0 220.272 0.846 10 0 BCAERO CCNC(=O)N1CCO[C@](CC)(C[NH3+])C1 ZINC000675059102 538483744 /nfs/dbraw/zinc/48/37/44/538483744.db2.gz KIMOFWQTIJYNLF-SNVBAGLBSA-N 1 0 215.297 0.156 10 0 BCAERO C[C@H](C(=O)OC(C)(C)C)S(=O)(=O)CC[NH3+] ZINC000675058364 538481352 /nfs/dbraw/zinc/48/13/52/538481352.db2.gz BRCZEMQGXZBBEP-SSDOTTSWSA-N 1 0 237.321 0.090 10 0 BCAERO CC(C)(C)C(=O)N1CCO[C@](C)(C[NH3+])C1 ZINC000675058928 538482142 /nfs/dbraw/zinc/48/21/42/538482142.db2.gz CFNBDJTVPJWBET-LLVKDONJSA-N 1 0 214.309 0.609 10 0 BCAERO Cn1ccnc1[C@H]1[C@H](C[NH3+])CCC(=O)N1C1CC1 ZINC000675058755 538482307 /nfs/dbraw/zinc/48/23/07/538482307.db2.gz WNKAFLHNJLTKGO-JOYOIKCWSA-N 1 0 248.330 0.821 10 0 BCAERO CC[C@@]1(CNC(=O)C2(C)CC2)C[NH2+]CCO1 ZINC000675059076 538483292 /nfs/dbraw/zinc/48/32/92/538483292.db2.gz JHESYBQSVZJSLU-LBPRGKRZSA-N 1 0 226.320 0.671 10 0 BCAERO NS(=O)(=O)CC[C@H]([NH3+])C1CCCC1 ZINC000675051144 538474064 /nfs/dbraw/zinc/47/40/64/538474064.db2.gz MSGOLWRDGWPYAE-QMMMGPOBSA-N 1 0 206.311 0.183 10 0 BCAERO COCC(=O)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC000675055968 538476950 /nfs/dbraw/zinc/47/69/50/538476950.db2.gz FNETYIGGQVRGAY-MWLCHTKSSA-N 1 0 212.293 0.281 10 0 BCAERO CC1(C(=O)N2CC[C@@H]3CC[NH2+]C[C@@H]32)CC1 ZINC000675056232 538477898 /nfs/dbraw/zinc/47/78/98/538477898.db2.gz FTMFQSRUOORPBZ-UWVGGRQHSA-N 1 0 208.305 0.997 10 0 BCAERO C[C@@]1(CNC(=O)C2CCC2)C[NH2+]CCO1 ZINC000675059737 538484878 /nfs/dbraw/zinc/48/48/78/538484878.db2.gz WBFAYLBVKAFJJS-NSHDSACASA-N 1 0 212.293 0.281 10 0 BCAERO CC(C)CC(=O)NC[C@@]1(C)C[NH2+]CCO1 ZINC000675059702 538484917 /nfs/dbraw/zinc/48/49/17/538484917.db2.gz UVCJAJVMGOOJCR-LLVKDONJSA-N 1 0 214.309 0.527 10 0 BCAERO CCC[C@@]1(CNC(C)=O)C[NH2+]CCO1 ZINC000675059913 538485042 /nfs/dbraw/zinc/48/50/42/538485042.db2.gz XVXBZISXTWCCOV-JTQLQIEISA-N 1 0 200.282 0.281 10 0 BCAERO O=C([O-])[C@H]1CC[C@H](C2CC[NH2+]CC2)C[NH2+]1 ZINC000675060015 538485185 /nfs/dbraw/zinc/48/51/85/538485185.db2.gz PZUSWZAZIPPOCQ-VHSXEESVSA-N 1 0 212.293 0.439 10 0 BCAERO CC[NH2+]CCn1cccc(C(=O)OC)c1=O ZINC000675059981 538485219 /nfs/dbraw/zinc/48/52/19/538485219.db2.gz PJVOAGCJIUZVCN-UHFFFAOYSA-N 1 0 224.260 0.244 10 0 BCAERO CC[C@@]1(CNC(=O)C2CCC2)C[NH2+]CCO1 ZINC000675059908 538485347 /nfs/dbraw/zinc/48/53/47/538485347.db2.gz XUPRFRASYLZOBW-LBPRGKRZSA-N 1 0 226.320 0.671 10 0 BCAERO O=C([O-])[C@H]1C[NH2+]C[C@H](C2CC[NH2+]CC2)C1 ZINC000675060204 538486042 /nfs/dbraw/zinc/48/60/42/538486042.db2.gz UJVICASXCJCHGM-NXEZZACHSA-N 1 0 212.293 0.296 10 0 BCAERO CC[C@@]1(C[NH3+])CN(C(=O)NC(C)C)CCO1 ZINC000675059868 538486054 /nfs/dbraw/zinc/48/60/54/538486054.db2.gz WVKDZAMHRJOGMN-LLVKDONJSA-N 1 0 229.324 0.544 10 0 BCAERO CCOC(=O)CC(=O)NC1CCC([NH3+])CC1 ZINC000675060978 538486633 /nfs/dbraw/zinc/48/66/33/538486633.db2.gz TWGWGXGNEKXRKM-UHFFFAOYSA-N 1 0 228.292 0.326 10 0 BCAERO CCNC(=O)NC[C@@H]1C[C@@H]2C[C@H]([NH3+])[C@H]2C1 ZINC000675068703 538497056 /nfs/dbraw/zinc/49/70/56/538497056.db2.gz DJPCPHJMZRLEHM-IMSYWVGJSA-N 1 0 211.309 0.679 10 0 BCAERO CSCCNC(=O)[C@H]1CCC[NH2+][C@@H]1C ZINC000384441881 356655518 /nfs/dbraw/zinc/65/55/18/356655518.db2.gz YWZIKDVDWVDZNK-BDAKNGLRSA-N 1 0 216.350 0.854 10 0 BCAERO CSCCNC(=O)[C@@H]1CCC[NH2+][C@H]1C ZINC000384441882 356655656 /nfs/dbraw/zinc/65/56/56/356655656.db2.gz YWZIKDVDWVDZNK-DTWKUNHWSA-N 1 0 216.350 0.854 10 0 BCAERO Oc1cccc(CC2=C[C@H](O)C[NH2+]C2)c1 ZINC000675076784 538511324 /nfs/dbraw/zinc/51/13/24/538511324.db2.gz GHSIGWJWABLQPU-LBPRGKRZSA-N 1 0 205.257 0.825 10 0 BCAERO COCCC(=O)N[C@@H]1C[C@@H]2C[C@H](C[NH3+])C[C@H]12 ZINC000675070082 538500248 /nfs/dbraw/zinc/50/02/48/538500248.db2.gz LGOYHYMAVZMQNJ-XWLWVQCSSA-N 1 0 226.320 0.513 10 0 BCAERO C[NH+](C)CC(=O)N[C@@H]1C[C@@H]2C[C@@H](CO)C[C@@H]12 ZINC000675070309 538500705 /nfs/dbraw/zinc/50/07/05/538500705.db2.gz ODKQDCAPBYQSSK-LMLFDSFASA-N 1 0 226.320 0.071 10 0 BCAERO COCC(=O)N[C@@H]1C[C@@H]2C[C@H](C[NH3+])C[C@H]12 ZINC000675070699 538500760 /nfs/dbraw/zinc/50/07/60/538500760.db2.gz RZYXRWVCSHKZET-AATLWQCWSA-N 1 0 212.293 0.122 10 0 BCAERO CCCCS(=O)(=O)NC[C@@]12C[C@@H]1CCC[NH2+]2 ZINC000675070581 538501094 /nfs/dbraw/zinc/50/10/94/538501094.db2.gz PRHKPXLUKPZGLO-QWRGUYRKSA-N 1 0 246.376 0.848 10 0 BCAERO CC(C)NC(=O)NC[C@@]12C[C@@H]1CCC[NH2+]2 ZINC000675070846 538501186 /nfs/dbraw/zinc/50/11/86/538501186.db2.gz TZAXTBBZRYFFTM-ONGXEEELSA-N 1 0 211.309 0.836 10 0 BCAERO CCCS(=O)(=O)N[C@@H]1C[C@@H]2C[C@H](C[NH3+])C[C@@H]12 ZINC000675071030 538501656 /nfs/dbraw/zinc/50/16/56/538501656.db2.gz VSKSIEMWSALIPN-UKKRHICBSA-N 1 0 246.376 0.689 10 0 BCAERO CC(C)S(=O)(=O)NC[C@@]12C[C@@H]1CCC[NH2+]2 ZINC000675071231 538501732 /nfs/dbraw/zinc/50/17/32/538501732.db2.gz YSUFEHMPLSUCMO-UWVGGRQHSA-N 1 0 232.349 0.456 10 0 BCAERO COC(=O)[C@](O)(C[NH2+]C1CCC1)C(F)(F)F ZINC000675072332 538502699 /nfs/dbraw/zinc/50/26/99/538502699.db2.gz BKNVXNKDCKFZQC-MRVPVSSYSA-N 1 0 241.209 0.595 10 0 BCAERO COc1ccc2c(c1)[C@@H](CO)[NH2+]CCO2 ZINC000675072599 538503132 /nfs/dbraw/zinc/50/31/32/538503132.db2.gz AGCKKMDIDAGBPP-SNVBAGLBSA-N 1 0 209.245 0.711 10 0 BCAERO Cc1c(CO)nnn1C[C@@H]1CCCC[NH2+]C1 ZINC000675073158 538504959 /nfs/dbraw/zinc/50/49/59/538504959.db2.gz SRMNTSDJVXMDCG-SNVBAGLBSA-N 1 0 224.308 0.469 10 0 BCAERO CC(C)[NH+]1CCC(O)(C(F)(F)CN)CC1 ZINC000675073575 538505970 /nfs/dbraw/zinc/50/59/70/538505970.db2.gz LTESNGJOTKICKV-UHFFFAOYSA-N 1 0 222.279 0.816 10 0 BCAERO [NH3+]C[C@H](CO)OCC(F)(F)C(F)F ZINC000675069151 538497535 /nfs/dbraw/zinc/49/75/35/538497535.db2.gz CEHVTIPWZQLKBP-SCSAIBSYSA-N 1 0 205.151 0.223 10 0 BCAERO [NH3+]C[C@]12C[C@H]1CCCN2S(=O)(=O)C1CC1 ZINC000675068874 538497566 /nfs/dbraw/zinc/49/75/66/538497566.db2.gz FHLDYOIXHWQISK-PSASIEDQSA-N 1 0 230.333 0.292 10 0 BCAERO COCCC(=O)N1CCC[C@@H]2C[C@@]21C[NH3+] ZINC000675069387 538498203 /nfs/dbraw/zinc/49/82/03/538498203.db2.gz HIINBZMBFJDHLR-MWLCHTKSSA-N 1 0 212.293 0.363 10 0 BCAERO Nc1ncccc1CC1=C[C@@H](O)C[NH2+]C1 ZINC000675077762 538513996 /nfs/dbraw/zinc/51/39/96/538513996.db2.gz RGDHLIMUWBNRCJ-SNVBAGLBSA-N 1 0 205.261 0.097 10 0 BCAERO Cc1csc(CC2=C[C@H](O)C[NH2+]C2)n1 ZINC000675077554 538514040 /nfs/dbraw/zinc/51/40/40/538514040.db2.gz OEOMKRKSGYPKIH-VIFPVBQESA-N 1 0 210.302 0.885 10 0 BCAERO COc1ccc(C2=C[C@@H]([NH3+])CNC2)cn1 ZINC000675078774 538516637 /nfs/dbraw/zinc/51/66/37/538516637.db2.gz SJCLDJPKFCOILH-SNVBAGLBSA-N 1 0 205.261 0.404 10 0 BCAERO CCn1nc(C)cc1C1=C[C@H]([NH3+])CNC1 ZINC000675079111 538517352 /nfs/dbraw/zinc/51/73/52/538517352.db2.gz WNBQBJVRDAGFEY-JTQLQIEISA-N 1 0 206.293 0.525 10 0 BCAERO Nc1ccc(-c2cn(C3C[NH2+]C3)nn2)cc1 ZINC000675079880 538518603 /nfs/dbraw/zinc/51/86/03/538518603.db2.gz YOWSBPKZGQJAJT-UHFFFAOYSA-N 1 0 215.260 0.672 10 0 BCAERO COCCC(=O)N[C@H]1Cc2ccccc2[C@@H]1[NH3+] ZINC000675080032 538519293 /nfs/dbraw/zinc/51/92/93/538519293.db2.gz LFMTVHGUBDBCRK-AAEUAGOBSA-N 1 0 234.299 0.764 10 0 BCAERO COC[C@@H]([NH3+])c1cnnn1Cc1ccccc1 ZINC000675080860 538520426 /nfs/dbraw/zinc/52/04/26/538520426.db2.gz WUMFPWBXKAXWIF-LLVKDONJSA-N 1 0 232.287 0.973 10 0 BCAERO Cn1nccc1CCC1=C[C@H](O)C[NH2+]C1 ZINC000675077143 538512267 /nfs/dbraw/zinc/51/22/67/538512267.db2.gz JQAMERLGDJQZCG-NSHDSACASA-N 1 0 207.277 0.243 10 0 BCAERO CCn1cc(CC2=C[C@H](O)C[NH2+]C2)cn1 ZINC000675077342 538512280 /nfs/dbraw/zinc/51/22/80/538512280.db2.gz LJXAWYXOYFBYQY-NSHDSACASA-N 1 0 207.277 0.336 10 0 BCAERO COc1nscc1C1=C[C@@H]([NH3+])CNC1 ZINC000675077389 538512445 /nfs/dbraw/zinc/51/24/45/538512445.db2.gz DEINTFSVDWXCEI-SSDOTTSWSA-N 1 0 211.290 0.466 10 0 BCAERO [NH3+][C@@H]1C=C(c2cnc(C3CC3)o2)CNC1 ZINC000675077397 538512892 /nfs/dbraw/zinc/51/28/92/538512892.db2.gz DJSKGOQBIZSINR-SECBINFHSA-N 1 0 205.261 0.866 10 0 BCAERO Cn1nc(C2CC2)nc1C[C@@H]1CC[NH2+]C1 ZINC000084381284 538532784 /nfs/dbraw/zinc/53/27/84/538532784.db2.gz ZTTPJAIPWXWNBR-QMMMGPOBSA-N 1 0 206.293 0.845 10 0 BCAERO COC(=O)[C@@]1([NH3+])CC[C@H](n2cccn2)C1 ZINC000086626761 538558193 /nfs/dbraw/zinc/55/81/93/538558193.db2.gz ABUWCOXLXBMZMP-WCBMZHEXSA-N 1 0 209.249 0.479 10 0 BCAERO NC(=O)[C@@]1([NH3+])CCC[C@H](n2cccn2)C1 ZINC000086604674 538558308 /nfs/dbraw/zinc/55/83/08/538558308.db2.gz OISWQFKNGCHJAK-WCBMZHEXSA-N 1 0 208.265 0.181 10 0 BCAERO COC(OC)C(=O)C[C@H]1CCCC[NH2+]1 ZINC000086499796 538555730 /nfs/dbraw/zinc/55/57/30/538555730.db2.gz MSIYMZMMAGACMV-MRVPVSSYSA-N 1 0 201.266 0.707 10 0 BCAERO COC(OC)C(=O)C[C@@H]1CCCC[NH2+]1 ZINC000086499795 538556241 /nfs/dbraw/zinc/55/62/41/538556241.db2.gz MSIYMZMMAGACMV-QMMMGPOBSA-N 1 0 201.266 0.707 10 0 BCAERO NC(=O)[C@@]1([NH3+])CCC[C@@H](n2ccnc2)C1 ZINC000086604645 538557345 /nfs/dbraw/zinc/55/73/45/538557345.db2.gz HNRLNOIAQQFJAI-PSASIEDQSA-N 1 0 208.265 0.181 10 0 BCAERO C[NH2+][C@]1(C(N)=O)CC[C@H](n2cccn2)C1 ZINC000086626712 538557672 /nfs/dbraw/zinc/55/76/72/538557672.db2.gz JINQTFOVIDLDBJ-WCBMZHEXSA-N 1 0 208.265 0.052 10 0 BCAERO Cn1cnc2c1[C@@]1(CCCOC1)[NH2+]CC2 ZINC000084259013 538528679 /nfs/dbraw/zinc/52/86/79/538528679.db2.gz YWPXDKDAWDQGGC-NSHDSACASA-N 1 0 207.277 0.572 10 0 BCAERO COC(=O)[C@]1([NH3+])CC[C@H](n2ccnc2)C1 ZINC000086626592 538557906 /nfs/dbraw/zinc/55/79/06/538557906.db2.gz GKMWDRFLLOMHLQ-WPRPVWTQSA-N 1 0 209.249 0.479 10 0 BCAERO CC[C@H]1CSC(NCC(=O)NC)=N1 ZINC000035295343 356695985 /nfs/dbraw/zinc/69/59/85/356695985.db2.gz FZSQZOUOVUXNCS-LURJTMIESA-N 1 0 201.295 0.203 10 0 BCAERO CCS(=O)(=O)NC[C@H]1CC[NH2+]C[C@H]1C ZINC000129824882 538576738 /nfs/dbraw/zinc/57/67/38/538576738.db2.gz WWWIMULCASATRT-RKDXNWHRSA-N 1 0 220.338 0.171 10 0 BCAERO CCCS(=O)(=O)NC[C@@H]1CC[NH2+]C[C@H]1C ZINC000129823797 538577645 /nfs/dbraw/zinc/57/76/45/538577645.db2.gz WNANQHNAFWZEJK-ZJUUUORDSA-N 1 0 234.365 0.561 10 0 BCAERO COC(OC)C(=O)C[C@H]1C[C@@H](C)CC[NH2+]1 ZINC000130353041 538587597 /nfs/dbraw/zinc/58/75/97/538587597.db2.gz ULBLJIXQHNGGFH-DTWKUNHWSA-N 1 0 215.293 0.953 10 0 BCAERO CC(C)(C)NC(=O)N1CC(N2CC[NH2+]CC2)C1 ZINC000090308973 538592096 /nfs/dbraw/zinc/59/20/96/538592096.db2.gz LHGOFZZNAZBVKZ-UHFFFAOYSA-N 1 0 240.351 0.084 10 0 BCAERO CNC(=O)CCC[N@@H+]1CCC[C@@H](O)[C@@H]1C ZINC000384870023 356789035 /nfs/dbraw/zinc/78/90/35/356789035.db2.gz OPFYVCSEASYNSR-VHSXEESVSA-N 1 0 214.309 0.358 10 0 BCAERO COCCC(=O)NC[C@@H]1CC[C@H]([NH3+])C1 ZINC000227577389 538696374 /nfs/dbraw/zinc/69/63/74/538696374.db2.gz DWOXZZZJGOLVSK-BDAKNGLRSA-N 1 0 200.282 0.267 10 0 BCAERO CCCS(=O)(=O)NC[C@@H]1CC[C@@H]([NH3+])C1 ZINC000227628919 538699388 /nfs/dbraw/zinc/69/93/88/538699388.db2.gz SQRUOHBPMUIZES-RKDXNWHRSA-N 1 0 220.338 0.443 10 0 BCAERO C[NH2+][C@H](C1CC1)[C@H]1CCCCS1(=O)=O ZINC000129803891 356966804 /nfs/dbraw/zinc/96/68/04/356966804.db2.gz XGNCWCNPQPYZPX-NXEZZACHSA-N 1 0 217.334 0.952 10 0 BCAERO CCC[C@@H](O)C[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000220599120 491105632 /nfs/dbraw/zinc/10/56/32/491105632.db2.gz XQMHXYYFTHKWEA-CHWSQXEVSA-N 1 0 242.363 0.554 10 0 BCAERO CCC[C@H]([NH3+])C(=O)NC1(COC)CC1 ZINC000389631623 357006292 /nfs/dbraw/zinc/00/62/92/357006292.db2.gz MJTXRQRWKQXHGE-QMMMGPOBSA-N 1 0 200.282 0.409 10 0 BCAERO C[C@H]([NH3+])[C@H]1CCN(S(=O)(=O)C(F)F)C1 ZINC000160594041 357105707 /nfs/dbraw/zinc/10/57/07/357105707.db2.gz KXLMGUVGMJKCKY-WDSKDSINSA-N 1 0 228.264 0.208 10 0 BCAERO CC(C)S(=O)(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000160595003 357106527 /nfs/dbraw/zinc/10/65/27/357106527.db2.gz ACZWZGSOLNPJFC-RKDXNWHRSA-N 1 0 220.338 0.394 10 0 BCAERO COc1ccnc(NC[C@@H]2C[NH2+]CCCO2)n1 ZINC000389883433 357059533 /nfs/dbraw/zinc/05/95/33/357059533.db2.gz HCECXCSKMPNQKO-VIFPVBQESA-N 1 0 238.291 0.276 10 0 BCAERO C[C@@H]1COC[C@@H](C)N1C(=O)C[NH2+]C1CC1 ZINC000390771390 357115898 /nfs/dbraw/zinc/11/58/98/357115898.db2.gz WGPKQMAJZKYNOM-RKDXNWHRSA-N 1 0 212.293 0.374 10 0 BCAERO CCCS(=O)(=O)N1CCC[C@@]1(C)C[NH3+] ZINC000259056505 538806731 /nfs/dbraw/zinc/80/67/31/538806731.db2.gz HFIGXNRJINPASJ-VIFPVBQESA-N 1 0 220.338 0.539 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)NCc1ccc(=O)[nH]c1 ZINC000392667030 357172002 /nfs/dbraw/zinc/17/20/02/357172002.db2.gz JFTLKMRZUXFBKK-PSASIEDQSA-N 1 0 235.287 0.259 10 0 BCAERO C[C@@H]1CN(c2cncc(Cl)n2)C[C@H]1[NH3+] ZINC000300048553 357176616 /nfs/dbraw/zinc/17/66/16/357176616.db2.gz LCRGGZKHNYQQEK-RNFRBKRXSA-N 1 0 212.684 0.913 10 0 BCAERO CC(C)S(=O)(=O)N1CCC[C@@]1(C)C[NH3+] ZINC000259265127 538811039 /nfs/dbraw/zinc/81/10/39/538811039.db2.gz UFKQXPDMUPLBQL-VIFPVBQESA-N 1 0 220.338 0.538 10 0 BCAERO CC1CC(C(=O)N2CCO[C@H](C[NH3+])C2)C1 ZINC000393806340 357301218 /nfs/dbraw/zinc/30/12/18/357301218.db2.gz PGNNSZDKFFGGBF-UDNWOFFPSA-N 1 0 212.293 0.219 10 0 BCAERO NC(=O)c1cc(N[C@H]2CCCC[C@H]2[NH3+])ccn1 ZINC000038050793 181290792 /nfs/dbraw/zinc/29/07/92/181290792.db2.gz UJOLCKNVGOZMKC-ZJUUUORDSA-N 1 0 234.303 0.862 10 0 BCAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000392901078 357263023 /nfs/dbraw/zinc/26/30/23/357263023.db2.gz SNFGYNCMSLAROA-VLEAKVRGSA-N 1 0 225.336 0.513 10 0 BCAERO CC(C)([NH3+])CNc1nccn2cnnc12 ZINC000168401847 134198011 /nfs/dbraw/zinc/19/80/11/134198011.db2.gz PSGKKWMYLMAMGA-UHFFFAOYSA-N 1 0 206.253 0.274 10 0 BCAERO COC[C@H](O)C[NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000582960172 357438850 /nfs/dbraw/zinc/43/88/50/357438850.db2.gz DKZGRQGFVUTUEZ-WRWGMCAJSA-N 1 0 231.336 0.787 10 0 BCAERO COC(C)(C)C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000219052026 357381765 /nfs/dbraw/zinc/38/17/65/357381765.db2.gz WEPMKGCVLACEGL-QMMMGPOBSA-N 1 0 200.282 0.232 10 0 BCAERO C[C@@H]1[C@@H](O)CCC[N@@H+]1CC[C@@H]1CCNC1=O ZINC000396086472 357470493 /nfs/dbraw/zinc/47/04/93/357470493.db2.gz NETRRFPHALZKKE-VWYCJHECSA-N 1 0 226.320 0.358 10 0 BCAERO [NH3+]C1CCN(CCNC(=O)C2CCC2)CC1 ZINC000321353080 538868788 /nfs/dbraw/zinc/86/87/88/538868788.db2.gz MNCTUZYFDQOWSB-UHFFFAOYSA-N 1 0 225.336 0.326 10 0 BCAERO CC[C@@H](C)NC(=O)CN(C)[C@@H]1CCC[NH2+]CC1 ZINC000231670513 357618957 /nfs/dbraw/zinc/61/89/57/357618957.db2.gz DPHBFXOZCAVZOD-VXGBXAGGSA-N 1 0 241.379 0.975 10 0 BCAERO CCCNC(=O)N1CC[C@H]([NH3+])[C@@H](F)C1 ZINC000685946572 538885548 /nfs/dbraw/zinc/88/55/48/538885548.db2.gz TWGPMDOSHTUDNM-YUMQZZPRSA-N 1 0 203.261 0.477 10 0 BCAERO CC(C)NC(=O)N1CC[C@@H]([NH3+])[C@H](F)C1 ZINC000685946614 538885553 /nfs/dbraw/zinc/88/55/53/538885553.db2.gz UGZDQEACQADXNI-HTQZYQBOSA-N 1 0 203.261 0.476 10 0 BCAERO CC(C)NC(=O)N1CC[C@H]([NH3+])[C@H](F)C1 ZINC000685946617 538885827 /nfs/dbraw/zinc/88/58/27/538885827.db2.gz UGZDQEACQADXNI-SFYZADRCSA-N 1 0 203.261 0.476 10 0 BCAERO CC[C@]1([NH3+])CCCN(C(=O)COC)C1 ZINC000685946586 538885903 /nfs/dbraw/zinc/88/59/03/538885903.db2.gz CSTBRBNOAQMYGS-JTQLQIEISA-N 1 0 200.282 0.363 10 0 BCAERO CCCCNC(=O)N1CC[C@H]([NH3+])[C@H](F)C1 ZINC000685946703 538886738 /nfs/dbraw/zinc/88/67/38/538886738.db2.gz UWAMDQPTMZAFLU-BDAKNGLRSA-N 1 0 217.288 0.867 10 0 BCAERO CC(C)S(=O)(=O)N[C@@H]1CC[NH2+]C[C@H]1F ZINC000685945851 538887229 /nfs/dbraw/zinc/88/72/29/538887229.db2.gz CODYTHTWWNUPBI-HTQZYQBOSA-N 1 0 224.301 0.014 10 0 BCAERO CC[C@@]1([NH3+])CCCN(C(=O)NCCOC)C1 ZINC000685946683 538887357 /nfs/dbraw/zinc/88/73/57/538887357.db2.gz DRJXPJPMXCWHHY-LLVKDONJSA-N 1 0 229.324 0.546 10 0 BCAERO CC(C)(C)C(=O)N[C@@H]1CC[NH2+]C[C@H]1F ZINC000685946308 538888262 /nfs/dbraw/zinc/88/82/62/538888262.db2.gz NVIDKQKRPSILSE-HTQZYQBOSA-N 1 0 202.273 0.849 10 0 BCAERO CC(C)(C)C(=O)N1CC[C@@H]([NH3+])[C@H](F)C1 ZINC000685946378 538888385 /nfs/dbraw/zinc/88/83/85/538888385.db2.gz RPDLYCYGJRLKKH-HTQZYQBOSA-N 1 0 202.273 0.930 10 0 BCAERO O=C(N[C@@H]1CC[NH2+]C[C@H]1F)C1CCC1 ZINC000685947079 538888604 /nfs/dbraw/zinc/88/86/04/538888604.db2.gz ZXYWWIGCJKDWQF-RKDXNWHRSA-N 1 0 200.257 0.603 10 0 BCAERO O=C(N[C@H]1CC[NH2+]C[C@H]1F)C1CCC1 ZINC000685947072 538888707 /nfs/dbraw/zinc/88/87/07/538888707.db2.gz ZXYWWIGCJKDWQF-BDAKNGLRSA-N 1 0 200.257 0.603 10 0 BCAERO CC1(C(=O)N2CCCC3(C[NH2+]C3)C2)CC1 ZINC000685947245 538888812 /nfs/dbraw/zinc/88/88/12/538888812.db2.gz KVNXBYNJNHAJPX-UHFFFAOYSA-N 1 0 208.305 0.999 10 0 BCAERO CC[C@]1(NC(=O)CCOC)CCC[NH2+]C1 ZINC000685948017 538889709 /nfs/dbraw/zinc/88/97/09/538889709.db2.gz VBSNDHSYNWOQSO-NSHDSACASA-N 1 0 214.309 0.671 10 0 BCAERO CN(C)C(=O)c1cc2n(n1)CCC[C@H]2[NH3+] ZINC000685947707 538889752 /nfs/dbraw/zinc/88/97/52/538889752.db2.gz QLYYDTZKZKZUBO-SSDOTTSWSA-N 1 0 208.265 0.379 10 0 BCAERO COC(=O)[C@@H](N)CC[NH2+]C1CCCCC1 ZINC000685947841 538889794 /nfs/dbraw/zinc/88/97/94/538889794.db2.gz QQEJEKCILJCJJB-JTQLQIEISA-N 1 0 214.309 0.799 10 0 BCAERO CCCNC(=O)NC[C@]12CC[C@H]1CC[NH2+]2 ZINC000685947775 538889800 /nfs/dbraw/zinc/88/98/00/538889800.db2.gz ZYAPAFWWAYQLGY-GXSJLCMTSA-N 1 0 211.309 0.838 10 0 BCAERO COCCNC(=O)NC1(C)CCC([NH3+])CC1 ZINC000685947919 538889817 /nfs/dbraw/zinc/88/98/17/538889817.db2.gz TYDGCVBCUUDIHP-UHFFFAOYSA-N 1 0 229.324 0.592 10 0 BCAERO COCc1ccc([C@@H](C[NH3+])CC(N)=O)cc1 ZINC000685948270 538890087 /nfs/dbraw/zinc/89/00/87/538890087.db2.gz FMMIRSSIKIBJJA-LLVKDONJSA-N 1 0 222.288 0.751 10 0 BCAERO O=C(c1ccoc1)N1CC[C@H]2OCC[NH2+][C@H]2C1 ZINC000404060950 357658646 /nfs/dbraw/zinc/65/86/46/357658646.db2.gz MJKVVYPXYDOTFE-WDEREUQCSA-N 1 0 236.271 0.483 10 0 BCAERO CCS(=O)(=O)N[C@]12CC[NH2+][C@H]1CCCC2 ZINC000685948809 538891752 /nfs/dbraw/zinc/89/17/52/538891752.db2.gz GCBHTMYZWGVKDY-VHSXEESVSA-N 1 0 232.349 0.600 10 0 BCAERO C1CCC2(C1)OCC[C@@H]2N1CC[NH2+]CC1 ZINC000685949351 538892611 /nfs/dbraw/zinc/89/26/11/538892611.db2.gz QKHXVIPTIVGXDI-NSHDSACASA-N 1 0 210.321 0.993 10 0 BCAERO C[NH+](C)C[C@H]1Cn2c(nnc2C2CC2)CN1 ZINC000685949799 538892917 /nfs/dbraw/zinc/89/29/17/538892917.db2.gz UIKVNIGGZQYNAY-VIFPVBQESA-N 1 0 221.308 0.189 10 0 BCAERO COC(=O)C12CCC(OC)(CC1)C[C@H]2[NH3+] ZINC000685950287 538893496 /nfs/dbraw/zinc/89/34/96/538893496.db2.gz MJAFIJSGWYGUKE-MFAVDMRSSA-N 1 0 213.277 0.836 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H](C)[C@H]1[N@@H+]1CCC[C@@H]1C(=O)[O-] ZINC000685951161 538894217 /nfs/dbraw/zinc/89/42/17/538894217.db2.gz OETRIEWELGBHMW-YTWAJWBKSA-N 1 0 226.320 0.779 10 0 BCAERO C[C@@H]1COCCN1C1[C@@H](C)C[NH2+]C[C@@H]1C ZINC000685951429 538894999 /nfs/dbraw/zinc/89/49/99/538894999.db2.gz UHFROZQLOFAVNB-GARJFASQSA-N 1 0 212.337 0.951 10 0 BCAERO c1ncc(-c2cnnn2C2C[NH2+]C2)s1 ZINC000685951531 538895456 /nfs/dbraw/zinc/89/54/56/538895456.db2.gz AUUFIFQBWXDXKJ-UHFFFAOYSA-N 1 0 207.262 0.546 10 0 BCAERO CCC[C@@H](C(=O)N1CC(=O)N(CC)C1)[NH+](C)C ZINC000190546017 357714955 /nfs/dbraw/zinc/71/49/55/357714955.db2.gz BWHSCWOONHPBCS-JTQLQIEISA-N 1 0 241.335 0.365 10 0 BCAERO CCC[C@H](C(=O)N1CC(=O)N(CC)C1)[NH+](C)C ZINC000190546038 357715296 /nfs/dbraw/zinc/71/52/96/357715296.db2.gz BWHSCWOONHPBCS-SNVBAGLBSA-N 1 0 241.335 0.365 10 0 BCAERO CCC(=O)CCN1CCCNC(=O)[C@H]1C ZINC000190346182 357702290 /nfs/dbraw/zinc/70/22/90/357702290.db2.gz PJZZALRQHZZOQG-SECBINFHSA-N 1 0 212.293 0.566 10 0 BCAERO COc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2O)cc1 ZINC000623763903 357755222 /nfs/dbraw/zinc/75/52/22/357755222.db2.gz VTIPWEGQPQYGPY-OLZOCXBDSA-N 1 0 237.299 0.935 10 0 BCAERO Cc1cc(CNC(=O)[C@H]2CC[C@H]([NH3+])C2)on1 ZINC000085012426 134220977 /nfs/dbraw/zinc/22/09/77/134220977.db2.gz WWLOHQOILNBAHJ-IUCAKERBSA-N 1 0 223.276 0.727 10 0 BCAERO COC[C@H](C)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000192526361 357843704 /nfs/dbraw/zinc/84/37/04/357843704.db2.gz OLCOXHFEQLTMDX-GARJFASQSA-N 1 0 226.320 0.289 10 0 BCAERO C[C@@H]1CN(C(=O)c2cccc(C(N)=O)c2)C[C@@H]1[NH3+] ZINC000235362693 357866717 /nfs/dbraw/zinc/86/67/17/357866717.db2.gz AZZQHGGHJSWIST-KCJUWKMLSA-N 1 0 247.298 0.205 10 0 BCAERO C[C@@H]1CN(C(=O)c2ccc(F)cn2)C[C@@H]1[NH3+] ZINC000235352317 357867433 /nfs/dbraw/zinc/86/74/33/357867433.db2.gz WDUZKRQFIHYYQH-APPZFPTMSA-N 1 0 223.251 0.640 10 0 BCAERO CCC[C@@H](O)CNC(=O)C[C@H]1CCC[NH2+]C1 ZINC000217957147 357917386 /nfs/dbraw/zinc/91/73/86/357917386.db2.gz VTKRRUPKIXZGLT-GHMZBOCLSA-N 1 0 228.336 0.653 10 0 BCAERO C[C@@H]1C[C@H](O)CC[N@@H+]1CC(=O)N1CCC1 ZINC000639942135 357961990 /nfs/dbraw/zinc/96/19/90/357961990.db2.gz WQPZELFHYSOBJH-NXEZZACHSA-N 1 0 212.293 0.064 10 0 BCAERO C[C@@H]1C[C@H](O)CC[N@@H+]1CCN1CCCC1=O ZINC000639942124 357962243 /nfs/dbraw/zinc/96/22/43/357962243.db2.gz WLZDMLKMCSHLFI-GHMZBOCLSA-N 1 0 226.320 0.454 10 0 BCAERO C[C@@H]1C[C@H](O)CC[N@@H+]1C[C@H]1COCCO1 ZINC000639938595 357944488 /nfs/dbraw/zinc/94/44/88/357944488.db2.gz DUNGFFPNUVKSJU-MXWKQRLJSA-N 1 0 215.293 0.247 10 0 BCAERO C[C@@H]1C[C@H](O)CC[N@@H+]1C[C@H]1CCCN1C ZINC000639938892 357945324 /nfs/dbraw/zinc/94/53/24/357945324.db2.gz PHZZCSKZEBUUQE-IJLUTSLNSA-N 1 0 212.337 0.926 10 0 BCAERO CC[C@H](O)CCNC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000218834596 357968133 /nfs/dbraw/zinc/96/81/33/357968133.db2.gz NTGFIPIVUPJGSH-QWRGUYRKSA-N 1 0 228.336 0.653 10 0 BCAERO COC[C@@](C)(CO)[NH2+]C[C@H](O)COC(C)(C)C ZINC000639950943 357973244 /nfs/dbraw/zinc/97/32/44/357973244.db2.gz DGBKYSRNEJNYCF-CMPLNLGQSA-N 1 0 249.351 0.149 10 0 BCAERO CCCCc1nc(C(N)=[NH2+])cn2ncnc12 ZINC000584612599 358107201 /nfs/dbraw/zinc/10/72/01/358107201.db2.gz JGRBVHBALGWMPL-UHFFFAOYSA-N 1 0 218.264 0.751 10 0 BCAERO CN(C)c1cccc(C(=O)NC2C[NH2+]C2)c1 ZINC000085255817 134262416 /nfs/dbraw/zinc/26/24/16/134262416.db2.gz ZBDDRJFDNJUCMH-UHFFFAOYSA-N 1 0 219.288 0.454 10 0 BCAERO c1cc(CN2CC[C@H]3OCC[NH2+][C@@H]3C2)no1 ZINC000584843573 358200134 /nfs/dbraw/zinc/20/01/34/358200134.db2.gz MYESYNNBQHOUPQ-GHMZBOCLSA-N 1 0 223.276 0.237 10 0 BCAERO O=C(NC1C[NH2+]C1)c1ccc(Br)o1 ZINC000085255681 134261667 /nfs/dbraw/zinc/26/16/67/134261667.db2.gz HIRGKPVVKHAQTI-UHFFFAOYSA-N 1 0 245.076 0.744 10 0 BCAERO COC(=O)c1ccc(C[NH2+][C@@H]2CCNC2=O)cc1 ZINC000610897256 358228077 /nfs/dbraw/zinc/22/80/77/358228077.db2.gz KGBSWMZHLQNYOW-LLVKDONJSA-N 1 0 248.282 0.451 10 0 BCAERO Cn1cc(Cl)cc1C(=O)NC1C[NH2+]C1 ZINC000085256042 134265007 /nfs/dbraw/zinc/26/50/07/134265007.db2.gz BSEBMMMLRPAPGP-UHFFFAOYSA-N 1 0 213.668 0.380 10 0 BCAERO CC[C@@H]([NH3+])C(=O)N1CCC([C@H](C)O)CC1 ZINC000225285209 358247709 /nfs/dbraw/zinc/24/77/09/358247709.db2.gz PPJXOJHDBRITNW-WCBMZHEXSA-N 1 0 214.309 0.343 10 0 BCAERO [NH3+][C@@H]1CCC[C@@H](NC(=O)c2ccccc2)[C@H]1O ZINC000584592855 358251105 /nfs/dbraw/zinc/25/11/05/358251105.db2.gz UCKQMNVRUHAJID-UTUOFQBUSA-N 1 0 234.299 0.657 10 0 BCAERO c1ncc2c(n[nH]c2C2CC[NH2+]CC2)n1 ZINC000584619807 358286360 /nfs/dbraw/zinc/28/63/60/358286360.db2.gz OOBLZVOFWQRFAU-UHFFFAOYSA-N 1 0 203.249 0.820 10 0 BCAERO N[C@@H]1Oc2ccccc2C[C@@H]1C(=[NH2+])NO ZINC000584625033 358293508 /nfs/dbraw/zinc/29/35/08/358293508.db2.gz WNYNCAXNFBMCTJ-GMSGAONNSA-N 1 0 207.233 0.479 10 0 BCAERO N[C@H]1Oc2ccccc2C[C@@H]1C(=[NH2+])NO ZINC000584625035 358293930 /nfs/dbraw/zinc/29/39/30/358293930.db2.gz WNYNCAXNFBMCTJ-XCBNKYQSSA-N 1 0 207.233 0.479 10 0 BCAERO CS(=O)(=O)NCCOc1cccc(C[NH3+])c1 ZINC000584647650 358302173 /nfs/dbraw/zinc/30/21/73/358302173.db2.gz IFIHVYVPBNFJOV-UHFFFAOYSA-N 1 0 244.316 0.073 10 0 BCAERO Cc1cncc(C(=O)N(C)C2C[NH2+]C2)c1 ZINC000085257485 134267390 /nfs/dbraw/zinc/26/73/90/134267390.db2.gz YSHLCBPOTNAIEP-UHFFFAOYSA-N 1 0 205.261 0.434 10 0 BCAERO c1nn2c(c1N1CCCCC1)C[NH2+]CC2 ZINC000584648473 358303614 /nfs/dbraw/zinc/30/36/14/358303614.db2.gz KFXMLUKQOKSOAL-UHFFFAOYSA-N 1 0 206.293 0.977 10 0 BCAERO CN(C(=O)COc1ccccc1)C1C[NH2+]C1 ZINC000085257534 134270290 /nfs/dbraw/zinc/27/02/90/134270290.db2.gz FWCDDYUEACOCSH-UHFFFAOYSA-N 1 0 220.272 0.496 10 0 BCAERO COC(=O)c1ccn(C2CC[NH2+]CC2)c(=O)c1 ZINC000584636714 358321589 /nfs/dbraw/zinc/32/15/89/358321589.db2.gz PIWSBBYUKNMAFA-UHFFFAOYSA-N 1 0 236.271 0.559 10 0 BCAERO O[C@H]1CC[NH2+]C[C@H]1Nc1ncnc2[nH]ccc21 ZINC000584637107 358322325 /nfs/dbraw/zinc/32/23/25/358322325.db2.gz UVDKSHCSYRTMNF-BDAKNGLRSA-N 1 0 233.275 0.093 10 0 BCAERO Cc1nn(C)c(C)c1C(=O)N(C)C1C[NH2+]C1 ZINC000085257753 134269767 /nfs/dbraw/zinc/26/97/67/134269767.db2.gz GLIVACSLRUOCQI-UHFFFAOYSA-N 1 0 222.292 0.081 10 0 BCAERO CN(CC[NH2+][C@@H]1CCCC[C@H]1O)C1CC1 ZINC000226229822 358336428 /nfs/dbraw/zinc/33/64/28/358336428.db2.gz SDCZAMGHBGMWSA-VXGBXAGGSA-N 1 0 212.337 0.974 10 0 BCAERO C[NH2+][C@H](C)C(=O)NCCc1csc(C)n1 ZINC000226416212 358339071 /nfs/dbraw/zinc/33/90/71/358339071.db2.gz FGWWXDCKDKOJOE-SSDOTTSWSA-N 1 0 227.333 0.718 10 0 BCAERO COC(=O)CN(C)[C@H]1CCC[NH2+]CC1 ZINC000226466681 358339806 /nfs/dbraw/zinc/33/98/06/358339806.db2.gz MSIGEKPEQGKHHN-VIFPVBQESA-N 1 0 200.282 0.233 10 0 BCAERO CN(C(=O)N1CCOCC1)[C@@H]1CCC[NH2+]CC1 ZINC000226459648 358340166 /nfs/dbraw/zinc/34/01/66/358340166.db2.gz APEZYWJQERTCNO-LLVKDONJSA-N 1 0 241.335 0.513 10 0 BCAERO C[C@@H](O)C1CCN(C(=O)C[NH2+]C2CC2)CC1 ZINC000229086246 358345146 /nfs/dbraw/zinc/34/51/46/358345146.db2.gz FBJWYPJAQGFBCQ-SECBINFHSA-N 1 0 226.320 0.358 10 0 BCAERO C[C@@H]1CN(C(=O)[C@@]2(C)CCC[NH2+]2)[C@@H](C)CO1 ZINC000227078638 358348431 /nfs/dbraw/zinc/34/84/31/358348431.db2.gz SRBVPIJJHQIGEA-HOSYDEDBSA-N 1 0 226.320 0.764 10 0 BCAERO CC(C)(CC(N)=O)NC(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000227065857 358348490 /nfs/dbraw/zinc/34/84/90/358348490.db2.gz QTCYDORUGNDIBK-BDAKNGLRSA-N 1 0 241.335 0.274 10 0 BCAERO C[C@H]([NH3+])CCNC(=O)[C@@H]1[C@H](C)O[C@@H](C)[C@H]1C ZINC000252681223 366418688 /nfs/dbraw/zinc/41/86/88/366418688.db2.gz GWZLJHZZQSFKMX-SSRBZLIGSA-N 1 0 228.336 0.899 10 0 BCAERO Cc1nnc2c(N[C@@H](C)C[C@H](C)[NH3+])nccn12 ZINC000228268045 358372430 /nfs/dbraw/zinc/37/24/30/358372430.db2.gz CZIRHAZTYMNUII-YUMQZZPRSA-N 1 0 234.307 0.970 10 0 BCAERO COC[C@@H](CCO)[NH2+][C@@H]1CCCC[C@H]1O ZINC000228348663 358374020 /nfs/dbraw/zinc/37/40/20/358374020.db2.gz IEYWJJPFIATUTI-GMTAPVOTSA-N 1 0 217.309 0.277 10 0 BCAERO CCc1nn(C)cc1C(=O)NCC[C@@H](C)[NH3+] ZINC000227554943 358359385 /nfs/dbraw/zinc/35/93/85/358359385.db2.gz BHCPGDKAZNGKPI-MRVPVSSYSA-N 1 0 224.308 0.450 10 0 BCAERO C[C@H](NC(=O)[C@]1(C)CCCC[NH2+]1)c1nc[nH]n1 ZINC000227696994 358361457 /nfs/dbraw/zinc/36/14/57/358361457.db2.gz VRJMOYCNKXWDQT-KWQFWETISA-N 1 0 237.307 0.514 10 0 BCAERO CCc1nnc(C)cc1C(=O)N1CCC[C@@H]1C[NH3+] ZINC000229205410 358363691 /nfs/dbraw/zinc/36/36/91/358363691.db2.gz ZWDGPIUIFXKWFE-SNVBAGLBSA-N 1 0 248.330 0.911 10 0 BCAERO CCCCOC[C@H](O)C[NH2+][C@@H](C)CO ZINC000227888856 358365119 /nfs/dbraw/zinc/36/51/19/358365119.db2.gz CWLNOQLGCHMJKS-VHSXEESVSA-N 1 0 205.298 0.134 10 0 BCAERO CCCCOC[C@H](O)C[NH2+]C[C@H](O)C1CC1 ZINC000227892573 358365233 /nfs/dbraw/zinc/36/52/33/358365233.db2.gz XJFWUGGWRSQVMU-NEPJUHHUSA-N 1 0 231.336 0.525 10 0 BCAERO CCCCOC[C@@H](O)C[NH2+]C[C@H](C)N(C)C ZINC000227891463 358365244 /nfs/dbraw/zinc/36/52/44/358365244.db2.gz PBIYYOSPWIWEET-RYUDHWBXSA-N 1 0 232.368 0.704 10 0 BCAERO CCCCOC[C@H](O)C[NH2+][C@H](C)COC ZINC000227886939 358365361 /nfs/dbraw/zinc/36/53/61/358365361.db2.gz YMWWKPOPYBLHIB-GHMZBOCLSA-N 1 0 219.325 0.789 10 0 BCAERO CCCCOC[C@@H](O)C[NH2+][C@@H](C)CO ZINC000227888850 358365440 /nfs/dbraw/zinc/36/54/40/358365440.db2.gz CWLNOQLGCHMJKS-UWVGGRQHSA-N 1 0 205.298 0.134 10 0 BCAERO CCCCOC[C@H](O)C[NH2+]CCn1ccnc1 ZINC000227890133 358365526 /nfs/dbraw/zinc/36/55/26/358365526.db2.gz AIGCDYJEJIHWIQ-GFCCVEGCSA-N 1 0 241.335 0.650 10 0 BCAERO CCCCOC[C@H](O)C[NH2+][C@H](C)C[C@@H](C)O ZINC000227895734 358365963 /nfs/dbraw/zinc/36/59/63/358365963.db2.gz AADGCJVFOKWRAN-IJLUTSLNSA-N 1 0 233.352 0.913 10 0 BCAERO C[C@@H]1[NH2+]CCC[C@@H]1Nc1ccc2nnnn2n1 ZINC000229610078 358405362 /nfs/dbraw/zinc/40/53/62/358405362.db2.gz DLDAWMLXIBLATH-YUMQZZPRSA-N 1 0 233.279 0.072 10 0 BCAERO CC(C)OCC[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000173941924 134276908 /nfs/dbraw/zinc/27/69/08/134276908.db2.gz OCKWFKSNVNXVSB-CYBMUJFWSA-N 1 0 242.363 0.818 10 0 BCAERO COC(=O)CCN1CCCC[C@@H]1C[NH3+] ZINC000044559186 358390705 /nfs/dbraw/zinc/39/07/05/358390705.db2.gz IPLBJLHXUXYABO-SECBINFHSA-N 1 0 200.282 0.363 10 0 BCAERO CC(C)(CNC(=O)C[C@H]1CCC[NH2+]C1)C(N)=O ZINC000230391689 358398730 /nfs/dbraw/zinc/39/87/30/358398730.db2.gz MFYDRYOMLHYOTJ-SECBINFHSA-N 1 0 241.335 0.004 10 0 BCAERO CC(C)(O)C[NH2+]CCN1CCSCC1 ZINC000230938599 358412569 /nfs/dbraw/zinc/41/25/69/358412569.db2.gz ZJOCZIHRIBULKH-UHFFFAOYSA-N 1 0 218.366 0.396 10 0 BCAERO CCO[C@@H]1C[C@@H]1C(=O)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261969471 535425896 /nfs/dbraw/zinc/42/58/96/535425896.db2.gz LKSIZEBSQOMCNE-HBNTYKKESA-N 1 0 240.347 0.997 10 0 BCAERO OC[C@@H]1CN(CCC[C@H]2CCOC2)CCO1 ZINC000400502052 491132833 /nfs/dbraw/zinc/13/28/33/491132833.db2.gz HEUKNPWLMTWSJW-RYUDHWBXSA-N 1 0 229.320 0.496 10 0 BCAERO CCO[C@@H]1C[C@@H]1C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000262082163 535426507 /nfs/dbraw/zinc/42/65/07/535426507.db2.gz TWQHXFJGDGRTON-HOSYDEDBSA-N 1 0 226.320 0.609 10 0 BCAERO CC[N@@H+]1CCC[C@H]1CN(C)C[C@@H](O)COC ZINC000127308881 358561226 /nfs/dbraw/zinc/56/12/26/358561226.db2.gz BSBIGSBKXXHUDQ-NWDGAFQWSA-N 1 0 230.352 0.410 10 0 BCAERO CC(C)NC(=O)CC[NH2+][C@H]1CCC(=O)N[C@@H]1C ZINC000392920003 259480356 /nfs/dbraw/zinc/48/03/56/259480356.db2.gz JEQKTNUTOHLOJB-ZJUUUORDSA-N 1 0 241.335 0.158 10 0 BCAERO CC1(C)CCN([C@H](C[NH3+])CO)CCS1 ZINC000231039129 358529257 /nfs/dbraw/zinc/52/92/57/358529257.db2.gz BSLHYOKBPGJZHP-SECBINFHSA-N 1 0 218.366 0.524 10 0 BCAERO CC1(C)CCN([C@@H](C[NH3+])CO)CCS1 ZINC000231039126 358529497 /nfs/dbraw/zinc/52/94/97/358529497.db2.gz BSLHYOKBPGJZHP-VIFPVBQESA-N 1 0 218.366 0.524 10 0 BCAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1CCOCCO ZINC000175051481 134284200 /nfs/dbraw/zinc/28/42/00/134284200.db2.gz JPTNAFRDUFIVQA-QWHCGFSZSA-N 1 0 242.363 0.554 10 0 BCAERO C[C@H](C(=O)N1CCO[C@H](C[NH+](C)C)C1)C1CC1 ZINC000175341536 134285601 /nfs/dbraw/zinc/28/56/01/134285601.db2.gz GJEGBLXEYIOAPK-CMPLNLGQSA-N 1 0 240.347 0.822 10 0 BCAERO COC(=O)CCCC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000131124921 358661529 /nfs/dbraw/zinc/66/15/29/358661529.db2.gz KYPNJYQBIIGHGI-JTQLQIEISA-N 1 0 242.319 0.492 10 0 BCAERO C[C@H]([NH2+]CC(=O)N(C)C1CC1)[C@H]1CCCO1 ZINC000049304902 358681709 /nfs/dbraw/zinc/68/17/09/358681709.db2.gz JVIGSCNVHJIKID-GXSJLCMTSA-N 1 0 226.320 0.764 10 0 BCAERO C[C@@H]([NH2+]CC(=O)N(C)C1CC1)[C@H]1CCCO1 ZINC000049304905 358681788 /nfs/dbraw/zinc/68/17/88/358681788.db2.gz JVIGSCNVHJIKID-MWLCHTKSSA-N 1 0 226.320 0.764 10 0 BCAERO CC[C@H](O)C[N@@H+]1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000175587072 134288148 /nfs/dbraw/zinc/28/81/48/134288148.db2.gz YVEAECSXHCYZJC-RWMBFGLXSA-N 1 0 242.363 0.410 10 0 BCAERO CNC(=O)[C@@H](C[NH3+])Cc1ccccc1F ZINC000050303863 358724670 /nfs/dbraw/zinc/72/46/70/358724670.db2.gz QFLXAGJLKGUFQL-SECBINFHSA-N 1 0 210.252 0.689 10 0 BCAERO CC(C)[C@H](C)NC(=O)C[NH2+][C@H]1CCO[C@H]1C ZINC000134546914 358795754 /nfs/dbraw/zinc/79/57/54/358795754.db2.gz ZNRMYBVFDJJADN-DCAQKATOSA-N 1 0 228.336 0.914 10 0 BCAERO Cn1ncnc1CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000177143695 134295606 /nfs/dbraw/zinc/29/56/06/134295606.db2.gz IBWQQYFWVAAUAM-SNVBAGLBSA-N 1 0 221.308 0.095 10 0 BCAERO Cn1ncnc1CN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000177255101 134296520 /nfs/dbraw/zinc/29/65/20/134296520.db2.gz WOCVIVOSKFKSRW-LLVKDONJSA-N 1 0 235.335 0.485 10 0 BCAERO Cc1nccc(NCCCN2CC[NH2+]CC2)n1 ZINC000054936748 358879883 /nfs/dbraw/zinc/87/98/83/358879883.db2.gz QSPNVOWSOLXXKQ-UHFFFAOYSA-N 1 0 235.335 0.492 10 0 BCAERO C[C@@H](O)CC[N@@H+]1CCCN(C)C[C@H]1C ZINC000300357026 358970272 /nfs/dbraw/zinc/97/02/72/358970272.db2.gz UDTDMODAYODPQD-GHMZBOCLSA-N 1 0 200.326 0.783 10 0 BCAERO C[C@H](C[C@H](C)O)[N@@H+]1CCN(C)C[C@H]1C ZINC000300355865 358971886 /nfs/dbraw/zinc/97/18/86/358971886.db2.gz TWVHVZDHACKZSG-MXWKQRLJSA-N 1 0 200.326 0.782 10 0 BCAERO C[C@@H]1SCC[C@@H]1N1C[C@@H]([NH3+])CC1=O ZINC000306167492 358977026 /nfs/dbraw/zinc/97/70/26/358977026.db2.gz DBQHLSWEQIUKIO-FXQIFTODSA-N 1 0 200.307 0.440 10 0 BCAERO C[C@@H]1OCC[C@@H]1[S@@](=O)[C@@H]1CC[NH2+]C1 ZINC000306154282 358940482 /nfs/dbraw/zinc/94/04/82/358940482.db2.gz KFQLFNPUXMETSO-ZZIUEJKTSA-N 1 0 203.307 0.274 10 0 BCAERO C[C@@H]1[C@H]([NH2+]C2CCC2)CCS1(=O)=O ZINC000306192113 359019967 /nfs/dbraw/zinc/01/99/67/359019967.db2.gz RQWLNNYQVPAUKH-VXNVDRBHSA-N 1 0 203.307 0.704 10 0 BCAERO ClC1(Cl)C[C@@H]1CNC1=[NH+]CCN1 ZINC000306173274 358980237 /nfs/dbraw/zinc/98/02/37/358980237.db2.gz FQGFODIBKKQLRL-RXMQYKEDSA-N 1 0 208.092 0.729 10 0 BCAERO C[C@@H]1C[C@H]1[C@@H]1C[S@@](=O)C[C@H](C)C[NH2+]1 ZINC000306172047 358981050 /nfs/dbraw/zinc/98/10/50/358981050.db2.gz IHHKTGDAVLSIQR-LGMRYKSHSA-N 1 0 201.335 0.999 10 0 BCAERO CCC(=[NH2+])N[C@@H]1CCS(=O)(=O)[C@H]1C ZINC000306175951 358983321 /nfs/dbraw/zinc/98/33/21/358983321.db2.gz VRAIOCKINBJDHU-NKWVEPMBSA-N 1 0 204.295 0.539 10 0 BCAERO CCC(=[NH2+])N[C@H]1CCS(=O)(=O)[C@H]1C ZINC000306175950 358983361 /nfs/dbraw/zinc/98/33/61/358983361.db2.gz VRAIOCKINBJDHU-BQBZGAKWSA-N 1 0 204.295 0.539 10 0 BCAERO C[C@@H]1C[C@H]([NH2+][C@H]2CNC(=O)C2)CS1 ZINC000300395427 358987929 /nfs/dbraw/zinc/98/79/29/358987929.db2.gz ZEHXANGOEHLXQF-PRJMDXOYSA-N 1 0 200.307 0.359 10 0 BCAERO COC(=O)c1ccc(NC[C@@H]([NH3+])C(C)C)nn1 ZINC000070463566 359056694 /nfs/dbraw/zinc/05/66/94/359056694.db2.gz JMJOFYZDIQGNLT-MRVPVSSYSA-N 1 0 238.291 0.658 10 0 BCAERO CCNS(=O)(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000246982224 359180249 /nfs/dbraw/zinc/18/02/49/359180249.db2.gz MQDOTOIAZKECGG-ZJUUUORDSA-N 1 0 249.380 0.159 10 0 BCAERO CC(C)OC[C@@H](O)CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000247057603 359190962 /nfs/dbraw/zinc/19/09/62/359190962.db2.gz FQPNOVQOZOGQJJ-STQMWFEESA-N 1 0 242.363 0.552 10 0 BCAERO Cc1nc(CN2CC[N@@H+]3CCC[C@H]3C2)no1 ZINC000247133834 359196764 /nfs/dbraw/zinc/19/67/64/359196764.db2.gz KMYQHWJHTLALFT-JTQLQIEISA-N 1 0 222.292 0.658 10 0 BCAERO C[C@H](O)C[N@@H+]1CCN(C[C@@H]2CCCO2)C[C@H]1C ZINC000247090110 359193808 /nfs/dbraw/zinc/19/38/08/359193808.db2.gz HMJCMAXZQQFELG-AGIUHOORSA-N 1 0 242.363 0.552 10 0 BCAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@@H]1CCOC1 ZINC000247094210 359194021 /nfs/dbraw/zinc/19/40/21/359194021.db2.gz IFZLNOAMUNCSFD-UTUOFQBUSA-N 1 0 238.331 0.718 10 0 BCAERO C[C@H](O)C[N@@H+]1CCN(C[C@H]2CCCO2)C[C@H]1C ZINC000247090159 359194293 /nfs/dbraw/zinc/19/42/93/359194293.db2.gz HMJCMAXZQQFELG-FRRDWIJNSA-N 1 0 242.363 0.552 10 0 BCAERO COCCCC[N@@H+]1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000246792007 359164799 /nfs/dbraw/zinc/16/47/99/359164799.db2.gz XQWJBXKCYMWVDU-STQMWFEESA-N 1 0 244.379 0.800 10 0 BCAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC ZINC000246817254 359167409 /nfs/dbraw/zinc/16/74/09/359167409.db2.gz XBHALYOBCWVPGX-UWVGGRQHSA-N 1 0 211.309 0.884 10 0 BCAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CN(C)C ZINC000246836775 359168667 /nfs/dbraw/zinc/16/86/67/359168667.db2.gz BKQVJSOLMVUUIQ-NEPJUHHUSA-N 1 0 239.363 0.633 10 0 BCAERO CC[C@@H](C(=O)OC)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000247123649 359195499 /nfs/dbraw/zinc/19/54/99/359195499.db2.gz JWCPYSNSTVDZMI-QWRGUYRKSA-N 1 0 226.320 0.718 10 0 BCAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1CCCCO ZINC000247154514 359197650 /nfs/dbraw/zinc/19/76/50/359197650.db2.gz KFCWVNGMPWSSCN-NEPJUHHUSA-N 1 0 212.337 0.927 10 0 BCAERO COC[C@@H](C)[N@@H+]1CCC[C@@H](n2cncn2)C1 ZINC000247179593 359199712 /nfs/dbraw/zinc/19/97/12/359199712.db2.gz BHMJKRIAYKXYTR-GHMZBOCLSA-N 1 0 224.308 0.950 10 0 BCAERO COCC[N@@H+]1CCN([C@H](C)C(=O)OC)C[C@H]1C ZINC000247212750 359201588 /nfs/dbraw/zinc/20/15/88/359201588.db2.gz PUYBCSZKSLDFGO-GHMZBOCLSA-N 1 0 244.335 0.200 10 0 BCAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1CC(=O)NC1CC1 ZINC000247255499 359206222 /nfs/dbraw/zinc/20/62/22/359206222.db2.gz NSRXIBFGYWEPPK-JQWIXIFHSA-N 1 0 237.347 0.434 10 0 BCAERO CC(C)(C)OC[C@H](O)C[N@@H+]1CC[C@@](C)(O)C1 ZINC000247348748 359211320 /nfs/dbraw/zinc/21/13/20/359211320.db2.gz OSJLGOXTPPKDIA-ZYHUDNBSSA-N 1 0 231.336 0.619 10 0 BCAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)c2cn[nH]n2)C1 ZINC000247480259 359223564 /nfs/dbraw/zinc/22/35/64/359223564.db2.gz WAPIRKKNRWSRPL-WCBMZHEXSA-N 1 0 237.307 0.263 10 0 BCAERO O=C1OCC[C@H]1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000248341860 359265865 /nfs/dbraw/zinc/26/58/65/359265865.db2.gz JGFRXVGYAWSZFT-GHMZBOCLSA-N 1 0 224.304 0.472 10 0 BCAERO C[C@@H](CCCCO)[NH2+][C@H]1CCCNC1=O ZINC000308888075 491139771 /nfs/dbraw/zinc/13/97/71/491139771.db2.gz WMQKZUUBGDKTBP-UWVGGRQHSA-N 1 0 214.309 0.406 10 0 BCAERO [NH3+][C@H]1[C@@H](Nc2nncs2)[C@@H]2OCC[C@@H]12 ZINC000249023309 359328429 /nfs/dbraw/zinc/32/84/29/359328429.db2.gz URSKOWXTTVGWIZ-BDVNFPICSA-N 1 0 212.278 0.065 10 0 BCAERO CCOC(=O)CC[C@H](O)C[NH2+]CC1CC(O)C1 ZINC000385613628 359331191 /nfs/dbraw/zinc/33/11/91/359331191.db2.gz CIDLXEMDUATQSS-YVNMAJEFSA-N 1 0 245.319 0.051 10 0 BCAERO Cc1ncccc1C[NH2+][C@H]1CCOC[C@@H]1O ZINC000623764228 359342228 /nfs/dbraw/zinc/34/22/28/359342228.db2.gz AMQBABXVLJUEFN-RYUDHWBXSA-N 1 0 222.288 0.629 10 0 BCAERO CC[C@](C)([C@@H](C)O)[NH+]1CCC(O)CC1 ZINC000306221632 359343367 /nfs/dbraw/zinc/34/33/67/359343367.db2.gz QBFOGDDXIGUTCW-MWLCHTKSSA-N 1 0 201.310 0.993 10 0 BCAERO COCCC[N@@H+]1CC[C@@H]2OCCN[C@H]2C1 ZINC000404235335 359349481 /nfs/dbraw/zinc/34/94/81/359349481.db2.gz TUZDXJKGYJSCKS-QWRGUYRKSA-N 1 0 214.309 0.086 10 0 BCAERO Cc1cccnc1CN1CC[C@H]2OCC[NH2+][C@H]2C1 ZINC000404279409 359414942 /nfs/dbraw/zinc/41/49/42/359414942.db2.gz UODFJKDCQQMPAT-UONOGXRCSA-N 1 0 247.342 0.953 10 0 BCAERO CNC(=O)[C@H]([NH2+][C@H](C)[C@@H](C)OC)C(C)C ZINC000308924056 491140335 /nfs/dbraw/zinc/14/03/35/491140335.db2.gz HSVWUVJBSQSIQJ-OPRDCNLKSA-N 1 0 216.325 0.770 10 0 BCAERO CNC(=O)[C@H]([NH2+][C@@H](C)[C@H](C)OC)C(C)C ZINC000308924055 491140364 /nfs/dbraw/zinc/14/03/64/491140364.db2.gz HSVWUVJBSQSIQJ-LPEHRKFASA-N 1 0 216.325 0.770 10 0 BCAERO O=C(NC1C[NH2+]C1)c1sccc1F ZINC000306257899 359473765 /nfs/dbraw/zinc/47/37/65/359473765.db2.gz YEPPRRKNKOTVSN-UHFFFAOYSA-N 1 0 200.238 0.589 10 0 BCAERO Cc1ncsc1C[NH2+][C@H]1CCOC[C@@H]1O ZINC000623764437 359486079 /nfs/dbraw/zinc/48/60/79/359486079.db2.gz DZMCQTIYOGNBJH-IUCAKERBSA-N 1 0 228.317 0.691 10 0 BCAERO C[C@H]1CN(C(=O)CC(C)(F)F)CC[NH2+]1 ZINC000306265703 359487971 /nfs/dbraw/zinc/48/79/71/359487971.db2.gz GSOPACWOXHJKKD-ZETCQYMHSA-N 1 0 206.236 0.852 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N1C[C@@H]2[C@H](C1)C2(C)C ZINC000379530935 359538124 /nfs/dbraw/zinc/53/81/24/359538124.db2.gz CRPUQHPZEZVHFG-DBIOUOCHSA-N 1 0 222.332 0.956 10 0 BCAERO C[C@@H]1C[NH2+]CC[C@H]1CNC(=O)C(F)(F)F ZINC000306296975 359541613 /nfs/dbraw/zinc/54/16/13/359541613.db2.gz AXKYLHMQBLKASG-RQJHMYQMSA-N 1 0 224.226 0.911 10 0 BCAERO CN1CCO[C@@H](C[NH2+]CC2(F)CC2)C1 ZINC000379566279 359544961 /nfs/dbraw/zinc/54/49/61/359544961.db2.gz CMKRHUFDLLXIFX-VIFPVBQESA-N 1 0 202.273 0.409 10 0 BCAERO COC(=O)CC[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000086886126 359585231 /nfs/dbraw/zinc/58/52/31/359585231.db2.gz LYCVJZGZMNNGCT-BDAKNGLRSA-N 1 0 200.282 0.219 10 0 BCAERO [NH3+][C@H]1COC[C@H]1NC(=O)NCc1ccccc1 ZINC000306308114 359589175 /nfs/dbraw/zinc/58/91/75/359589175.db2.gz RPTIKECKWYKQNK-WDEREUQCSA-N 1 0 235.287 0.212 10 0 BCAERO C[NH2+][C@@H](C)C(=O)N[C@@H]1CCC(F)(F)C1 ZINC000306328186 359611103 /nfs/dbraw/zinc/61/11/03/359611103.db2.gz YDZUUBLFMLUQKC-NKWVEPMBSA-N 1 0 206.236 0.898 10 0 BCAERO Cc1ncc(C[NH2+]C2CSC2)c(=O)[nH]1 ZINC000306333953 359637142 /nfs/dbraw/zinc/63/71/42/359637142.db2.gz FJWUJIFUDQXJLM-UHFFFAOYSA-N 1 0 211.290 0.696 10 0 BCAERO CS(C)(=O)=NC(=O)C1=CC[NH2+]CC1 ZINC000403653324 359689760 /nfs/dbraw/zinc/68/97/60/359689760.db2.gz VOBOSABMKBZARV-UHFFFAOYSA-N 1 0 202.279 0.160 10 0 BCAERO CC(C)(C)OC(=O)N1C[C@@H]2[C@@H]([NH3+])CO[C@@H]2C1 ZINC000306374060 359707722 /nfs/dbraw/zinc/70/77/22/359707722.db2.gz OOIBMKMVEZHNDG-HRDYMLBCSA-N 1 0 228.292 0.579 10 0 BCAERO C[NH2+][C@@H]1COCCN(C(=O)OC(C)(C)C)C1 ZINC000306374942 359708912 /nfs/dbraw/zinc/70/89/12/359708912.db2.gz LJYIBFMGAGMOCA-VIFPVBQESA-N 1 0 230.308 0.842 10 0 BCAERO C[C@@H]1COC[C@H](CC(=O)[C@@H]2CCOC2)[NH2+]1 ZINC000130384082 359722411 /nfs/dbraw/zinc/72/24/11/359722411.db2.gz JVHHWUMDQHHYPP-BBBLOLIVSA-N 1 0 213.277 0.359 10 0 BCAERO CC1(C[NH2+][C@H]2CCCOC2)OCCO1 ZINC000306397502 359762059 /nfs/dbraw/zinc/76/20/59/359762059.db2.gz JKOABPAPGNFZDD-VIFPVBQESA-N 1 0 201.266 0.518 10 0 BCAERO C[C@@H]1C[C@@H]([NH2+][C@H]2CCOC[C@H]2O)C[C@H](C)O1 ZINC000623766119 359851685 /nfs/dbraw/zinc/85/16/85/359851685.db2.gz ALZDQNNUQVDGPW-KZZRWZIVSA-N 1 0 229.320 0.682 10 0 BCAERO C[C@@H]1CC[NH2+][C@H]1C(=O)N[C@@H]1CCSC1 ZINC000231353535 359904366 /nfs/dbraw/zinc/90/43/66/359904366.db2.gz AEWWOZIJNISIIY-IWSPIJDZSA-N 1 0 214.334 0.606 10 0 BCAERO [NH3+]CC1(C(=O)N[C@H]2CCSC2)CCC1 ZINC000231353821 359905289 /nfs/dbraw/zinc/90/52/89/359905289.db2.gz LHTHRDGUPNYGGI-QMMMGPOBSA-N 1 0 214.334 0.737 10 0 BCAERO O=C(NCc1cocn1)[C@H]1CCC[NH2+]C1 ZINC000397852412 363704541 /nfs/dbraw/zinc/70/45/41/363704541.db2.gz VGJFKGNUMSWGQA-QMMMGPOBSA-N 1 0 209.249 0.290 10 0 BCAERO Cc1nc(C[NH2+][C@H]2CCC(=O)N[C@@H]2C)[nH]c1C ZINC000578787487 366650644 /nfs/dbraw/zinc/65/06/44/366650644.db2.gz QPIQXRYDKLNWIH-ZJUUUORDSA-N 1 0 236.319 0.783 10 0 BCAERO Cc1nc[nH]c1CNC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000380243048 366671470 /nfs/dbraw/zinc/67/14/70/366671470.db2.gz WLJCRWIXFGNOBH-VXNVDRBHSA-N 1 0 222.292 0.190 10 0 BCAERO C[C@@H]1SCC[C@@H]1[NH2+][C@@H]1COC[C@H]1O ZINC000306454406 360041546 /nfs/dbraw/zinc/04/15/46/360041546.db2.gz PLUBRMJAZJIBMJ-RBXMUDONSA-N 1 0 203.307 0.230 10 0 BCAERO Cn1ncc(Br)c1[C@@H](O)C1C[NH2+]C1 ZINC000306476619 360111564 /nfs/dbraw/zinc/11/15/64/360111564.db2.gz JDBPJJREQZNCFH-QMMMGPOBSA-N 1 0 246.108 0.435 10 0 BCAERO C[C@H]([C@@H]([NH3+])C1=COCC1)S(C)(=O)=O ZINC000306474136 360111757 /nfs/dbraw/zinc/11/17/57/360111757.db2.gz FPEDOAHMVYJTAO-HTRCEHHLSA-N 1 0 205.279 0.051 10 0 BCAERO CN(CC1CCOCC1)C(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000091539776 360119491 /nfs/dbraw/zinc/11/94/91/360119491.db2.gz SCASRRTVPMJHFF-NEPJUHHUSA-N 1 0 240.347 0.999 10 0 BCAERO C[C@@H]1C[C@H]([NH3+])CN(Cc2cnns2)C1 ZINC000306478668 360127122 /nfs/dbraw/zinc/12/71/22/360127122.db2.gz ZMNQAODPICUGQF-SFYZADRCSA-N 1 0 212.322 0.707 10 0 BCAERO C[C@H]([NH3+])CN1CC[S@](=O)[C@H](C)[C@H]1C ZINC000306488573 360185996 /nfs/dbraw/zinc/18/59/96/360185996.db2.gz KUMAVEWRBVPXSF-QARKVSRYSA-N 1 0 204.339 0.175 10 0 BCAERO C[C@H]([NH3+])CN1CC[S@](=O)[C@@H](C)[C@@H]1C ZINC000306488575 360187800 /nfs/dbraw/zinc/18/78/00/360187800.db2.gz KUMAVEWRBVPXSF-YFBYITSOSA-N 1 0 204.339 0.175 10 0 BCAERO Cc1ncsc1[C@@H](C)NC(=O)[C@H](C)[NH3+] ZINC000306498031 360234657 /nfs/dbraw/zinc/23/46/57/360234657.db2.gz SMFXRNLPNWVJBS-CAHLUQPWSA-N 1 0 213.306 0.976 10 0 BCAERO C[S@](=O)CCNc1[nH+]ccc(N)c1N ZINC000306499572 360239818 /nfs/dbraw/zinc/23/98/18/360239818.db2.gz JXARWLYZCIHWTH-AWEZNQCLSA-N 1 0 214.294 0.036 10 0 BCAERO O=C(NCC(F)(F)Br)[C@@H]1CC[NH2+]1 ZINC000306514589 360338082 /nfs/dbraw/zinc/33/80/82/360338082.db2.gz APLZQCNURWHRNB-BYPYZUCNSA-N 1 0 243.051 0.452 10 0 BCAERO C[C@@]1(CNC(=O)[C@@H]2CC[NH2+]2)CCCS1 ZINC000306515657 360342282 /nfs/dbraw/zinc/34/22/82/360342282.db2.gz FBHISGIKGIFCNT-WPRPVWTQSA-N 1 0 214.334 0.750 10 0 BCAERO CS[C@H]1CCCN(C(=O)[C@H]2CC[NH2+]2)C1 ZINC000306517414 360344691 /nfs/dbraw/zinc/34/46/91/360344691.db2.gz FVQSCAGRAABRDK-DTWKUNHWSA-N 1 0 214.334 0.702 10 0 BCAERO CC1(C)C[N@H+](CCON)[C@@H]2COC[C@H]21 ZINC000306523124 360361050 /nfs/dbraw/zinc/36/10/50/360361050.db2.gz RQTWHZGDSCZUCN-RKDXNWHRSA-N 1 0 200.282 0.234 10 0 BCAERO CN(c1cc(N)ns1)[C@H]1CC[N@H+](C)C1 ZINC000306525111 360370504 /nfs/dbraw/zinc/37/05/04/360370504.db2.gz AEKCZGYPQGNIPL-ZETCQYMHSA-N 1 0 212.322 0.866 10 0 BCAERO O=C1C[C@H]([NH2+]CCF)[C@H]2CCCCN12 ZINC000306532565 360392321 /nfs/dbraw/zinc/39/23/21/360392321.db2.gz GSZILCDFEXOSGL-DTWKUNHWSA-N 1 0 200.257 0.699 10 0 BCAERO C[C@]1(N[S@@](=O)C2CCCC2)CC[NH2+]C1 ZINC000306534227 360393781 /nfs/dbraw/zinc/39/37/81/360393781.db2.gz DMYGJPLOLHGULT-HZMBPMFUSA-N 1 0 216.350 0.934 10 0 BCAERO O=[S@](c1cccs1)[C@H]1C[NH2+]C[C@@H]1O ZINC000306521064 360358748 /nfs/dbraw/zinc/35/87/48/360358748.db2.gz FMYWQUPXUCDFJS-MREMCGJQSA-N 1 0 217.315 0.188 10 0 BCAERO [NH3+][C@@H]1CCN([C@@H]2CCC(F)(F)C2)C1=O ZINC000306561132 360437747 /nfs/dbraw/zinc/43/77/47/360437747.db2.gz MYQGRWIBHVJUTR-RNFRBKRXSA-N 1 0 204.220 0.734 10 0 BCAERO C[C@H]([NH3+])[C@H](C)C(=O)N[C@@H]1CSC[C@H]1C ZINC000306562750 360438992 /nfs/dbraw/zinc/43/89/92/360438992.db2.gz CPWNLNAZSMEWAE-RYPBNFRJSA-N 1 0 216.350 0.837 10 0 BCAERO C[C@H]([NH3+])c1csc(-c2cnnn2C)n1 ZINC000306568084 360445644 /nfs/dbraw/zinc/44/56/44/360445644.db2.gz UEKGETOVEWBKLS-YFKPBYRVSA-N 1 0 209.278 0.958 10 0 BCAERO C[C@@H]1CSCCN1C(=O)C(C)(C)[NH3+] ZINC000069762076 360423531 /nfs/dbraw/zinc/42/35/31/360423531.db2.gz UTKGDNYVAITERH-SSDOTTSWSA-N 1 0 202.323 0.688 10 0 BCAERO C[C@H]1CN(c2ncns2)C[C@@]1(C)C[NH3+] ZINC000306551736 360425556 /nfs/dbraw/zinc/42/55/56/360425556.db2.gz APEBRZIPEMOKMD-IONNQARKSA-N 1 0 212.322 0.959 10 0 BCAERO CC(C)[C@H](C)[C@@H]([NH3+])[C@@H]1CN(C)CCO1 ZINC000306553265 360426942 /nfs/dbraw/zinc/42/69/42/360426942.db2.gz BCIXYEYKUCUOPP-GARJFASQSA-N 1 0 200.326 0.936 10 0 BCAERO CO[C@@H]1COCC[C@H]1[NH2+][C@@H]1CCSC1 ZINC000306557453 360432315 /nfs/dbraw/zinc/43/23/15/360432315.db2.gz JBYNFOXXJUWNQS-OPRDCNLKSA-N 1 0 217.334 0.885 10 0 BCAERO Cn1cnc(C(=O)C[C@H]2CCC[NH2+]C2)c1 ZINC000306559138 360434144 /nfs/dbraw/zinc/43/41/44/360434144.db2.gz QETAJFJRAMSKKM-SECBINFHSA-N 1 0 207.277 0.993 10 0 BCAERO C[C@@H]1C[C@@H](N2CC[C@@H]([NH3+])C2=O)CS1 ZINC000306583759 360482801 /nfs/dbraw/zinc/48/28/01/360482801.db2.gz PTQOUHAOEWFTNB-BWZBUEFSSA-N 1 0 200.307 0.440 10 0 BCAERO C[C@H]1CC[C@H](C(=O)c2cnn(C)n2)C[NH2+]1 ZINC000306588109 360491934 /nfs/dbraw/zinc/49/19/34/360491934.db2.gz VJDDAHFLFDIKLO-YUMQZZPRSA-N 1 0 208.265 0.386 10 0 BCAERO C[S@](=O)CCN1CCC[C@@H]2C[NH2+]C[C@H]21 ZINC000306589620 360494580 /nfs/dbraw/zinc/49/45/80/360494580.db2.gz ULKPAKIADBEAKE-RULNRJAQSA-N 1 0 216.350 0.049 10 0 BCAERO CC[C@](C)([C@H](C)[NH3+])N1CCS(=O)CC1 ZINC000306572550 360461207 /nfs/dbraw/zinc/46/12/07/360461207.db2.gz GXAUYNGDHHMYLK-VHSXEESVSA-N 1 0 218.366 0.567 10 0 BCAERO C[C@H]([NH3+])[C@@](C)(O)c1c(Br)nnn1C ZINC000306600365 360520482 /nfs/dbraw/zinc/52/04/82/360520482.db2.gz SVRPMTFNSUKMHI-MHTLYPKNSA-N 1 0 249.112 0.132 10 0 BCAERO C[C@@H]1CSC(NC2COCCOC2)=[NH+]1 ZINC000306601975 360530414 /nfs/dbraw/zinc/53/04/14/360530414.db2.gz VDXCHXYKCFEKQS-SSDOTTSWSA-N 1 0 216.306 0.483 10 0 BCAERO C[C@H](O)C[N@H+](C)[C@@H]1CC[NH2+]CC1(C)C ZINC000300811060 360517232 /nfs/dbraw/zinc/51/72/32/360517232.db2.gz HDCUBOFKCNOEEC-VHSXEESVSA-N 1 0 200.326 0.687 10 0 BCAERO CC(C)(C)OC(=O)N1CCCOC[C@H]1C[NH3+] ZINC000238071648 360545682 /nfs/dbraw/zinc/54/56/82/360545682.db2.gz CTSZGHKFDCJSAP-SECBINFHSA-N 1 0 230.308 0.971 10 0 BCAERO C[C@@H](C(N)=S)[N@@H+]1CCC[C@H](O)CC1 ZINC000306610304 360615985 /nfs/dbraw/zinc/61/59/85/360615985.db2.gz FAWGLDVZXSXEBS-YUMQZZPRSA-N 1 0 202.323 0.508 10 0 BCAERO NC(=O)c1ccnc(O[C@@H]2CCC[NH2+]C2)c1 ZINC000051872812 181307343 /nfs/dbraw/zinc/30/73/43/181307343.db2.gz KTUTVABSYVUNMZ-SECBINFHSA-N 1 0 221.260 0.311 10 0 BCAERO O=C(CN1CC[NH2+]CC1)c1ccc2c(c1)OCO2 ZINC000036171822 360703897 /nfs/dbraw/zinc/70/38/97/360703897.db2.gz RDBBFCHLXOUTLG-UHFFFAOYSA-N 1 0 248.282 0.503 10 0 BCAERO NC(=O)c1ccccc1NC(=O)[C@H]1CCCC[NH2+]1 ZINC000019411863 181306516 /nfs/dbraw/zinc/30/65/16/181306516.db2.gz UEFNSYWQZVZHFO-LLVKDONJSA-N 1 0 247.298 0.866 10 0 BCAERO NC(=O)c1ccnc(NCC[C@H]2CC[NH2+]C2)c1 ZINC000104351981 181307547 /nfs/dbraw/zinc/30/75/47/181307547.db2.gz ZKVINTKJXKQCGA-SECBINFHSA-N 1 0 234.303 0.592 10 0 BCAERO NC(=O)c1ccnc(OC2CC[NH2+]CC2)c1 ZINC000051865593 181307767 /nfs/dbraw/zinc/30/77/67/181307767.db2.gz VOXOQAOHUKLALV-UHFFFAOYSA-N 1 0 221.260 0.311 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N1CCC[C@H](OC)C1 ZINC000154283328 360792162 /nfs/dbraw/zinc/79/21/62/360792162.db2.gz VDFCFIFGECEEEB-UWVGGRQHSA-N 1 0 214.309 0.751 10 0 BCAERO NC(=O)c1cncc2[nH]c(C3CC[NH2+]CC3)nc21 ZINC000095605522 181309458 /nfs/dbraw/zinc/30/94/58/181309458.db2.gz HOEVWIQPVHJYQD-UHFFFAOYSA-N 1 0 245.286 0.524 10 0 BCAERO C[C@H](NCC(F)(F)CO)[C@H]1CCC[NH2+]C1 ZINC000578979269 366683733 /nfs/dbraw/zinc/68/37/33/366683733.db2.gz XVJAHOAQHDKJHW-IUCAKERBSA-N 1 0 222.279 0.592 10 0 BCAERO NC(=O)c1nccnc1N[C@H]1CCCCC[C@H]1[NH3+] ZINC000063214488 181314377 /nfs/dbraw/zinc/31/43/77/181314377.db2.gz LXCVAXFWCHHJBZ-BDAKNGLRSA-N 1 0 249.318 0.647 10 0 BCAERO NC(=S)C1(C[NH+]2CCOCC2)CC1 ZINC000049812198 181315692 /nfs/dbraw/zinc/31/56/92/181315692.db2.gz LUJAXRIHVAWDIQ-UHFFFAOYSA-N 1 0 200.307 0.385 10 0 BCAERO CCN(C(=O)[C@@H]1CCOC1)[C@H]1CC[NH2+]C1 ZINC000040941618 360913637 /nfs/dbraw/zinc/91/36/37/360913637.db2.gz XPOSYOWRCANTKY-ZJUUUORDSA-N 1 0 212.293 0.233 10 0 BCAERO COc1cccc([C@]2(CO)CC[NH2+]C2)c1 ZINC000238357688 360933380 /nfs/dbraw/zinc/93/33/80/360933380.db2.gz JXGOBSYGXNXELR-GFCCVEGCSA-N 1 0 207.273 0.919 10 0 BCAERO C[C@H](NC(=O)NCC[NH+](C)C)[C@@H]1CCCO1 ZINC000133456119 491154762 /nfs/dbraw/zinc/15/47/62/491154762.db2.gz AKLWRZZAHNQYLS-UWVGGRQHSA-N 1 0 229.324 0.415 10 0 BCAERO [NH3+]C1(C(=O)N2CCC[C@@H](O)C2)CCCC1 ZINC000037654868 181324627 /nfs/dbraw/zinc/32/46/27/181324627.db2.gz LAFJNWZTLYNKJL-SECBINFHSA-N 1 0 212.293 0.241 10 0 BCAERO CN1C[C@@H](C[NH+](C)C)[C@H](NC(=O)C2CCC2)C1 ZINC000169790612 361123150 /nfs/dbraw/zinc/12/31/50/361123150.db2.gz ZVBDURKQZFMBLY-VXGBXAGGSA-N 1 0 239.363 0.395 10 0 BCAERO [NH3+]C1(C(=O)N(CCO)C2CC2)CCCC1 ZINC000037479535 181325043 /nfs/dbraw/zinc/32/50/43/181325043.db2.gz VUAWYMFOVQOLEP-UHFFFAOYSA-N 1 0 212.293 0.241 10 0 BCAERO Cc1csc(N2CCO[C@H](C[NH3+])C2)n1 ZINC000041059042 361220665 /nfs/dbraw/zinc/22/06/65/361220665.db2.gz MFUSNPJTFAWGIE-MRVPVSSYSA-N 1 0 213.306 0.615 10 0 BCAERO [NH3+]C1(C(=O)NC[C@@H]2CCCCO2)CCOCC1 ZINC000127892322 181326352 /nfs/dbraw/zinc/32/63/52/181326352.db2.gz WXRJMWZZDMTANQ-JTQLQIEISA-N 1 0 242.319 0.180 10 0 BCAERO [NH3+][C@H](CO)Cc1coc(Br)c1 ZINC000306625008 361285120 /nfs/dbraw/zinc/28/51/20/361285120.db2.gz GLDFFMOLYQZHJY-LURJTMIESA-N 1 0 220.066 0.904 10 0 BCAERO CC(C)OCCCN1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC000578994517 366689348 /nfs/dbraw/zinc/68/93/48/366689348.db2.gz RBAUZFOTSCJQDN-STQMWFEESA-N 1 0 242.363 0.864 10 0 BCAERO C[C@@H]([NH3+])C(=O)N[C@H](C)c1csnn1 ZINC000306623504 361258071 /nfs/dbraw/zinc/25/80/71/361258071.db2.gz WYAINERBUSMEPO-RFZPGFLSSA-N 1 0 200.267 0.063 10 0 BCAERO O=C(N1CC[C@H]2OCC[NH2+][C@@H]2C1)C(F)(F)F ZINC000403993397 361302125 /nfs/dbraw/zinc/30/21/25/361302125.db2.gz FGXPFUCYIAZFGB-RNFRBKRXSA-N 1 0 238.209 0.138 10 0 BCAERO O=C(N[C@@H]1CCC[NH2+]C1)[C@H]1CCSC1 ZINC000069986971 361322335 /nfs/dbraw/zinc/32/23/35/361322335.db2.gz OZORNNODKSGZFV-DTWKUNHWSA-N 1 0 214.334 0.608 10 0 BCAERO [NH3+]C1CC(NC(=O)[C@H]2CCCS2)C1 ZINC000069986442 361322508 /nfs/dbraw/zinc/32/25/08/361322508.db2.gz IOKXMCZBQZZNKJ-KAVNDROISA-N 1 0 200.307 0.488 10 0 BCAERO O=C(N[C@H]1CC[NH2+]C1)[C@@H]1CCSC1 ZINC000069986696 361322621 /nfs/dbraw/zinc/32/26/21/361322621.db2.gz ZCKSPKKJPRXVRM-SFYZADRCSA-N 1 0 200.307 0.218 10 0 BCAERO [NH3+]C1(CN2CCS(=O)(=O)CC2)CCCCC1 ZINC000036162216 181330204 /nfs/dbraw/zinc/33/02/04/181330204.db2.gz VTYCOVFSCVXDNU-UHFFFAOYSA-N 1 0 246.376 0.378 10 0 BCAERO Cc1c[nH+]ccc1NCCS(N)(=O)=O ZINC000070047066 361386788 /nfs/dbraw/zinc/38/67/88/361386788.db2.gz CFWTWADXNCBYQR-UHFFFAOYSA-N 1 0 215.278 0.090 10 0 BCAERO [NH3+]C[C@@H]1CC(=O)N(Cc2cscn2)C1 ZINC000070052651 361388072 /nfs/dbraw/zinc/38/80/72/361388072.db2.gz RMIKWHJTDKYVLM-ZETCQYMHSA-N 1 0 211.290 0.450 10 0 BCAERO [NH3+]C[C@@H]1CC(=O)N(Cc2nccs2)C1 ZINC000070053051 361388678 /nfs/dbraw/zinc/38/86/78/361388678.db2.gz NAVWHNHXBXWRID-ZETCQYMHSA-N 1 0 211.290 0.450 10 0 BCAERO [NH3+]C1(Cn2cc(CO)nn2)CCCCC1 ZINC000169726499 181332589 /nfs/dbraw/zinc/33/25/89/181332589.db2.gz XXLHHOIEOARPMB-UHFFFAOYSA-N 1 0 210.281 0.432 10 0 BCAERO COc1ccccc1C[NH2+][C@@H]1CCNC1=O ZINC000309891391 491157909 /nfs/dbraw/zinc/15/79/09/491157909.db2.gz CRMJJFZTMJVRMI-SNVBAGLBSA-N 1 0 220.272 0.673 10 0 BCAERO C[NH2+][C@@H]1CCN(Cc2cscn2)C1=O ZINC000070558240 361547539 /nfs/dbraw/zinc/54/75/39/361547539.db2.gz AXWPIYKDNAKLIW-MRVPVSSYSA-N 1 0 211.290 0.463 10 0 BCAERO COCc1noc([C@]2(C)C[C@@H](OC)C[NH2+]2)n1 ZINC000629678193 361600568 /nfs/dbraw/zinc/60/05/68/361600568.db2.gz IOOUKMLZVUFSNG-XCBNKYQSSA-N 1 0 227.264 0.440 10 0 BCAERO CO[C@@H]1C[NH2+][C@@](C)(c2nc(-c3ncc[nH]3)no2)C1 ZINC000629679952 361601482 /nfs/dbraw/zinc/60/14/82/361601482.db2.gz BVYUGFCBNUSZIN-WRWORJQWSA-N 1 0 249.274 0.683 10 0 BCAERO [NH3+]C1CC(NC(=O)c2ccc(O)cc2O)C1 ZINC000036237244 181339993 /nfs/dbraw/zinc/33/99/93/181339993.db2.gz XPIUINQJTHRXPU-UHFFFAOYSA-N 1 0 222.244 0.317 10 0 BCAERO C[C@H]([NH3+])[C@@H](N1CC(C)(O)C1)C(F)(F)F ZINC000306639142 361590528 /nfs/dbraw/zinc/59/05/28/361590528.db2.gz CYCMHWKLTKFQAE-NTSWFWBYSA-N 1 0 212.215 0.331 10 0 BCAERO [NH3+]C1CC(NS(=O)(=O)c2ccccc2)C1 ZINC000036265933 181340728 /nfs/dbraw/zinc/34/07/28/181340728.db2.gz NDJHOEUNQOKWKX-UHFFFAOYSA-N 1 0 226.301 0.455 10 0 BCAERO Cn1cc(CCCN2CCO[C@H](CO)C2)cn1 ZINC000309983497 491159364 /nfs/dbraw/zinc/15/93/64/491159364.db2.gz MWMRMHXGHCKWBQ-LBPRGKRZSA-N 1 0 239.319 0.046 10 0 BCAERO [NH3+]C1CCC(C(=O)NC[C@@H]2COCCO2)CC1 ZINC000038062346 181340561 /nfs/dbraw/zinc/34/05/61/181340561.db2.gz IJZAJNYBABGMAO-VQXHTEKXSA-N 1 0 242.319 0.036 10 0 BCAERO [NH3+]C1CC(NC(=O)[C@H]2OCCc3ccccc32)C1 ZINC000037927095 181340605 /nfs/dbraw/zinc/34/06/05/181340605.db2.gz AHKDXZLTXFHQSL-XIVSLSHWSA-N 1 0 246.310 0.906 10 0 BCAERO [NH3+]C1CCC(C(=O)Nc2cn[nH]c2)CC1 ZINC000037482157 181341194 /nfs/dbraw/zinc/34/11/94/181341194.db2.gz UOCIWCXXGVNOMN-UHFFFAOYSA-N 1 0 208.265 0.866 10 0 BCAERO [NH3+]C1CCC(NC(=O)C2CCOCC2)CC1 ZINC000061671081 181341785 /nfs/dbraw/zinc/34/17/85/181341785.db2.gz XPXHGVNEHOYOFY-UHFFFAOYSA-N 1 0 226.320 0.799 10 0 BCAERO [NH3+]C1CCC(NS(=O)(=O)c2cc[nH]c2)CC1 ZINC000051693230 181342570 /nfs/dbraw/zinc/34/25/70/181342570.db2.gz JGYSOZGJDPDEAM-UHFFFAOYSA-N 1 0 243.332 0.563 10 0 BCAERO [NH3+]C1CCN(C(=O)c2cnns2)CC1 ZINC000036753508 181343366 /nfs/dbraw/zinc/34/33/66/181343366.db2.gz UUHXXZREKNDJRZ-UHFFFAOYSA-N 1 0 212.278 0.101 10 0 BCAERO C[C@@H]1C[NH+]=C(NC[C@H]2CCC(=O)N2)S1 ZINC000070628570 361680983 /nfs/dbraw/zinc/68/09/83/361680983.db2.gz BZTHHVPEWIDSTG-RNFRBKRXSA-N 1 0 213.306 0.346 10 0 BCAERO NC(=S)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000070662125 361703223 /nfs/dbraw/zinc/70/32/23/361703223.db2.gz OFSNMIKVPXYQRQ-VIFPVBQESA-N 1 0 214.334 0.916 10 0 BCAERO [NH3+]C1CN(C(=O)[C@H]2COc3ccccc3C2)C1 ZINC000104312718 181345129 /nfs/dbraw/zinc/34/51/29/181345129.db2.gz IWHJGOCDIYSLFQ-SNVBAGLBSA-N 1 0 232.283 0.407 10 0 BCAERO [NH3+]CC(=O)N(C[C@H]1CCCO1)[C@H]1CCSC1 ZINC000037810597 181347308 /nfs/dbraw/zinc/34/73/08/181347308.db2.gz SBKZOFHSRBAAKM-VHSXEESVSA-N 1 0 244.360 0.458 10 0 BCAERO COC(OC)[C@@H]1CCn2cc(C)[nH+]c2N1 ZINC000234581484 541311979 /nfs/dbraw/zinc/31/19/79/541311979.db2.gz NXKYYUQMUFUWCP-QMMMGPOBSA-N 1 0 211.265 0.995 10 0 BCAERO [NH3+]CC(=O)NCC(=O)Nc1ccc(Cl)cc1 ZINC000037481746 181352148 /nfs/dbraw/zinc/35/21/48/181352148.db2.gz VBTHVFBEYDDUIF-UHFFFAOYSA-N 1 0 241.678 0.353 10 0 BCAERO C[C@@H]1CCC[C@H]1C(=O)N[C@H](CO)C[NH+](C)C ZINC000614850949 364004446 /nfs/dbraw/zinc/00/44/46/364004446.db2.gz CYOUJPXTSUVQNU-OUAUKWLOSA-N 1 0 228.336 0.461 10 0 BCAERO CO[C@@H]1CN(Cc2cncn2C)[C@@](C)(C[NH3+])C1 ZINC000630359185 364076154 /nfs/dbraw/zinc/07/61/54/364076154.db2.gz BZFVYSSBTGKBRB-NWDGAFQWSA-N 1 0 238.335 0.358 10 0 BCAERO CC(C)(C)NC(=O)NC[C@@H]([NH3+])[C@@H]1CCCOC1 ZINC000725255133 541332347 /nfs/dbraw/zinc/33/23/47/541332347.db2.gz UDZZUQKVZIBLJD-NXEZZACHSA-N 1 0 243.351 0.838 10 0 BCAERO CCNC(=O)N1C[C@@H](OC)C[C@]1(C)C[NH3+] ZINC000630367735 364085314 /nfs/dbraw/zinc/08/53/14/364085314.db2.gz PMVKEBRPQODANS-WCBMZHEXSA-N 1 0 215.297 0.154 10 0 BCAERO COCCCCN1C[C@@H](OC)C[C@@]1(C)C[NH3+] ZINC000630357205 364079939 /nfs/dbraw/zinc/07/99/39/364079939.db2.gz CPHZRQBPORIQQC-RYUDHWBXSA-N 1 0 230.352 0.851 10 0 BCAERO CO[C@@H]1CN(Cc2ccno2)[C@](C)(C[NH3+])C1 ZINC000630361803 364080378 /nfs/dbraw/zinc/08/03/78/364080378.db2.gz VWNZCJZJQGHJOX-QWRGUYRKSA-N 1 0 225.292 0.613 10 0 BCAERO CO[C@H]1CN(Cc2nc(C)no2)[C@@](C)(C[NH3+])C1 ZINC000630359913 364080398 /nfs/dbraw/zinc/08/03/98/364080398.db2.gz FTSYRTGFXYBOAN-MWLCHTKSSA-N 1 0 240.307 0.316 10 0 BCAERO CCCC(=O)N1C[C@@H](OC)C[C@@]1(C)C[NH3+] ZINC000630360194 364080849 /nfs/dbraw/zinc/08/08/49/364080849.db2.gz IRXBFNLGYRFASG-ONGXEEELSA-N 1 0 214.309 0.751 10 0 BCAERO CO[C@@H]1CN(Cc2nc(C)no2)[C@](C)(C[NH3+])C1 ZINC000630359915 364081327 /nfs/dbraw/zinc/08/13/27/364081327.db2.gz FTSYRTGFXYBOAN-ONGXEEELSA-N 1 0 240.307 0.316 10 0 BCAERO C[C@H](O)CN(C)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000725241532 541329802 /nfs/dbraw/zinc/32/98/02/541329802.db2.gz HPTCISWSJYBILP-SRVKXCTJSA-N 1 0 212.337 0.926 10 0 BCAERO CC[NH2+][C@H](C(N)=O)[C@@H](C)n1nccc1C ZINC000725255988 541332914 /nfs/dbraw/zinc/33/29/14/541332914.db2.gz OCINDUGJDXGYOV-BDAKNGLRSA-N 1 0 210.281 0.216 10 0 BCAERO CO[C@H]1CN(CCOC(C)C)[C@](C)(C[NH3+])C1 ZINC000630364787 364083189 /nfs/dbraw/zinc/08/31/89/364083189.db2.gz VXVRSFXBMWYDFF-NEPJUHHUSA-N 1 0 230.352 0.850 10 0 BCAERO [NH3+]CC(=O)N[C@H]1CCC[C@@H]1n1ccnc1 ZINC000037045733 181354846 /nfs/dbraw/zinc/35/48/46/181354846.db2.gz NNMXROBRNRSDPE-IUCAKERBSA-N 1 0 208.265 0.052 10 0 BCAERO [NH3+]CC(=O)Nc1cccc(-c2nnco2)c1 ZINC000040829025 181354975 /nfs/dbraw/zinc/35/49/75/181354975.db2.gz PJLHMYGQJQBPEG-UHFFFAOYSA-N 1 0 218.216 0.634 10 0 BCAERO CO[C@@H]1CN(Cc2noc(C)n2)[C@@](C)(C[NH3+])C1 ZINC000630369750 364087990 /nfs/dbraw/zinc/08/79/90/364087990.db2.gz XSOSQZRSSSHDNY-GXSJLCMTSA-N 1 0 240.307 0.316 10 0 BCAERO CO[C@@H]1CN(C(=O)COC(C)C)[C@](C)(C[NH3+])C1 ZINC000630373359 364089180 /nfs/dbraw/zinc/08/91/80/364089180.db2.gz ZNXTWRUTWZONDB-JQWIXIFHSA-N 1 0 244.335 0.376 10 0 BCAERO CO[C@H]1CN(C(=O)[C@H]2CCCO2)[C@@](C)(C[NH3+])C1 ZINC000630374969 364089215 /nfs/dbraw/zinc/08/92/15/364089215.db2.gz PXSKORZEZICCMY-CKYFFXLPSA-N 1 0 242.319 0.130 10 0 BCAERO CO[C@@H]1CN(C(=O)C2CC=CC2)[C@@](C)(C[NH3+])C1 ZINC000630378476 364094207 /nfs/dbraw/zinc/09/42/07/364094207.db2.gz WPUGIVFMCPZMRK-WCQYABFASA-N 1 0 238.331 0.917 10 0 BCAERO [NH3+]CC(=O)Nc1ccccc1-n1ccnc1 ZINC000037006872 181355947 /nfs/dbraw/zinc/35/59/47/181355947.db2.gz WIYFKJKQUWYHNC-UHFFFAOYSA-N 1 0 216.244 0.770 10 0 BCAERO [NH3+]CC1(C(=O)N2CCC[C@@H]2CO)CCC1 ZINC000082641906 181357408 /nfs/dbraw/zinc/35/74/08/181357408.db2.gz GMARRPPSOYEADC-SECBINFHSA-N 1 0 212.293 0.099 10 0 BCAERO CCCC[N@H+](CCO)[C@H]1CCOC[C@@H]1O ZINC000725273030 541340329 /nfs/dbraw/zinc/34/03/29/541340329.db2.gz POXCOXPZZADNOG-QWRGUYRKSA-N 1 0 217.309 0.231 10 0 BCAERO OC[C@@H]1CC[N@@H+]([C@H]2CCO[C@]23CCOC3)C1 ZINC000725268878 541338437 /nfs/dbraw/zinc/33/84/37/541338437.db2.gz DLFXUCKVWWISCY-WOPDTQHZSA-N 1 0 227.304 0.249 10 0 BCAERO [NH3+]CC1(C(=O)N2CCC[C@H](O)C2)CCC1 ZINC000082641883 181356870 /nfs/dbraw/zinc/35/68/70/181356870.db2.gz PFIKTPGSDQUIFR-VIFPVBQESA-N 1 0 212.293 0.099 10 0 BCAERO [NH3+]CC1(C(=O)N2CCCC[C@@H]2CO)CC1 ZINC000082641905 181356882 /nfs/dbraw/zinc/35/68/82/181356882.db2.gz ITPVWMXWACALFD-SECBINFHSA-N 1 0 212.293 0.099 10 0 BCAERO [NH3+]CC1(C(=O)N2CCC[C@H](O)C2)CCCC1 ZINC000044763354 181357998 /nfs/dbraw/zinc/35/79/98/181357998.db2.gz QSIKBRNSJGHDKL-JTQLQIEISA-N 1 0 226.320 0.489 10 0 BCAERO [NH3+]CC1(C(=O)N2CCCC2)CCOCC1 ZINC000044753600 181358137 /nfs/dbraw/zinc/35/81/37/181358137.db2.gz HRYZPCBFDHXCAF-UHFFFAOYSA-N 1 0 212.293 0.364 10 0 BCAERO CCc1nsc(NCC2([NH3+])CCOCC2)n1 ZINC000630523782 364209495 /nfs/dbraw/zinc/20/94/95/364209495.db2.gz CMSPDSVPZWINTP-UHFFFAOYSA-N 1 0 242.348 0.442 10 0 BCAERO C[C@@H]1CC[C@H](Nc2ncnc3c2cnn3C)C[NH2+]1 ZINC000630532971 364223066 /nfs/dbraw/zinc/22/30/66/364223066.db2.gz MBBALQNMKUWVBQ-BDAKNGLRSA-N 1 0 246.318 0.916 10 0 BCAERO C[NH2+]CCOCCN(C)c1ncccn1 ZINC000630530518 364218658 /nfs/dbraw/zinc/21/86/58/364218658.db2.gz KMJCYNUSVAUBGY-UHFFFAOYSA-N 1 0 210.281 0.149 10 0 BCAERO C[NH2+]CCOCCN(C)c1ccc(F)cn1 ZINC000630530900 364220206 /nfs/dbraw/zinc/22/02/06/364220206.db2.gz PNGSAOUOEKANHM-UHFFFAOYSA-N 1 0 227.283 0.893 10 0 BCAERO CCOc1cncc(NCCOCCC[NH3+])n1 ZINC000630537744 364233190 /nfs/dbraw/zinc/23/31/90/364233190.db2.gz RCPOKZNYUCZWMU-UHFFFAOYSA-N 1 0 240.307 0.653 10 0 BCAERO [NH3+]CCCOCCNc1ccnc2cccnc21 ZINC000630537748 364233564 /nfs/dbraw/zinc/23/35/64/364233564.db2.gz RFPIBHLXJPQGHX-UHFFFAOYSA-N 1 0 246.314 0.829 10 0 BCAERO C[C@@H]1CN(c2ncc(F)cn2)C[C@H]1C[NH3+] ZINC000630576706 364274522 /nfs/dbraw/zinc/27/45/22/364274522.db2.gz ZDNAPKXXSPNRIK-HTQZYQBOSA-N 1 0 210.256 0.647 10 0 BCAERO COc1cc(C)nc(N[C@@H]2CC[NH2+][C@H]2C)n1 ZINC000630546007 364241450 /nfs/dbraw/zinc/24/14/50/364241450.db2.gz NWVILWCVHWICLI-DTWKUNHWSA-N 1 0 222.292 0.956 10 0 BCAERO C[C@H]1CN(c2ncc(F)cn2)C[C@@H]1C[NH3+] ZINC000630576711 364274900 /nfs/dbraw/zinc/27/49/00/364274900.db2.gz ZDNAPKXXSPNRIK-YUMQZZPRSA-N 1 0 210.256 0.647 10 0 BCAERO C[C@H]1CN(c2ccnc(N(C)C)n2)C[C@@H]1C[NH3+] ZINC000630552196 364246126 /nfs/dbraw/zinc/24/61/26/364246126.db2.gz CEVBLTMRPKZWBN-UWVGGRQHSA-N 1 0 235.335 0.574 10 0 BCAERO C[C@H]1CN(c2ccnc(N(C)C)n2)C[C@H]1C[NH3+] ZINC000630552197 364246833 /nfs/dbraw/zinc/24/68/33/364246833.db2.gz CEVBLTMRPKZWBN-VHSXEESVSA-N 1 0 235.335 0.574 10 0 BCAERO C[C@H]1CN(c2nccn3cnnc23)C[C@H]1C[NH3+] ZINC000630552380 364246957 /nfs/dbraw/zinc/24/69/57/364246957.db2.gz FAHJXEXMCIQXFX-DTWKUNHWSA-N 1 0 232.291 0.155 10 0 BCAERO C[C@@H]1C[C@H]([NH3+])CN1c1ccc2nncn2n1 ZINC000630557342 364259043 /nfs/dbraw/zinc/25/90/43/364259043.db2.gz FBVZOFJXRYHXGS-SFYZADRCSA-N 1 0 218.264 0.050 10 0 BCAERO C[C@@H]1C[C@@H]([NH3+])CN1c1ncnc2[nH]ccc21 ZINC000630559083 364260396 /nfs/dbraw/zinc/26/03/96/364260396.db2.gz OPLDSUVRXOFUSD-HTQZYQBOSA-N 1 0 217.276 0.884 10 0 BCAERO C[C@@H](CC[NH3+])Nc1ncnc2nc[nH]c21 ZINC000134269774 364396612 /nfs/dbraw/zinc/39/66/12/364396612.db2.gz YZAAXVFOLVCAAT-LURJTMIESA-N 1 0 206.253 0.502 10 0 BCAERO CCCCNC(=O)C[NH2+][C@@H]1CCO[C@H]1C ZINC000134541628 364405539 /nfs/dbraw/zinc/40/55/39/364405539.db2.gz WYYBXJDEOWGNHD-VHSXEESVSA-N 1 0 214.309 0.670 10 0 BCAERO [NH3+]CC1CCC(C(=O)N2CC[C@H](O)C2)CC1 ZINC000061714160 181363544 /nfs/dbraw/zinc/36/35/44/181363544.db2.gz ARGIBWXNKKVXKA-ILDUYXDCSA-N 1 0 226.320 0.345 10 0 BCAERO [NH3+]CC1(c2nc3cccnc3[nH]2)CCOCC1 ZINC000083076749 181363688 /nfs/dbraw/zinc/36/36/88/181363688.db2.gz UJQVUMBUGQLSGK-UHFFFAOYSA-N 1 0 232.287 0.965 10 0 BCAERO CCC[NH2+]Cc1ccc(F)c(S(N)(=O)=O)c1 ZINC000084175614 541359772 /nfs/dbraw/zinc/35/97/72/541359772.db2.gz HKPNBVASXGIJJN-UHFFFAOYSA-N 1 0 246.307 0.973 10 0 BCAERO C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCCOC2)C1 ZINC000170868624 364546954 /nfs/dbraw/zinc/54/69/54/364546954.db2.gz ZIYDKXNECICHBB-WDEREUQCSA-N 1 0 226.320 0.576 10 0 BCAERO C[C@@H](C[NH3+])Nc1nnnn1-c1ccccc1 ZINC000082576427 364570646 /nfs/dbraw/zinc/57/06/46/364570646.db2.gz GEIWRZBXZDWTBR-QMMMGPOBSA-N 1 0 218.264 0.421 10 0 BCAERO [NH3+]CCC(=O)Nc1ccc2[nH]cnc2c1 ZINC000082256131 181368748 /nfs/dbraw/zinc/36/87/48/181368748.db2.gz SJBWMLZZZJAASH-UHFFFAOYSA-N 1 0 204.233 0.850 10 0 BCAERO C[NH2+][C@H](C)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000167530116 364795074 /nfs/dbraw/zinc/79/50/74/364795074.db2.gz XFFAZMUCYDEWBM-UTUOFQBUSA-N 1 0 239.363 0.537 10 0 BCAERO [NH3+]CCCC(=O)N1CCCC[C@@H]1CO ZINC000036135527 181371321 /nfs/dbraw/zinc/37/13/21/181371321.db2.gz LANCAVJYWMAIIV-SECBINFHSA-N 1 0 200.282 0.099 10 0 BCAERO [NH3+]CCCC(=O)NCCc1ccc(O)cc1 ZINC000040737014 181372057 /nfs/dbraw/zinc/37/20/57/181372057.db2.gz UBWYJYPPTJZLQL-UHFFFAOYSA-N 1 0 222.288 0.790 10 0 BCAERO Cc1cccc(C(=O)N2CCO[C@@H]3C[NH2+]C[C@@H]32)n1 ZINC000573729127 364904097 /nfs/dbraw/zinc/90/40/97/364904097.db2.gz PBKYCJGXIIMZPP-NWDGAFQWSA-N 1 0 247.298 0.203 10 0 BCAERO [NH3+]CCCCC(=O)Nc1cccc2c1CNC2=O ZINC000089210905 181373999 /nfs/dbraw/zinc/37/39/99/181373999.db2.gz FUCHAUPESWSSEA-UHFFFAOYSA-N 1 0 247.298 0.998 10 0 BCAERO CC(C)(C)OC(=O)NCC[C@H]1COCC[NH2+]1 ZINC000082347451 541400073 /nfs/dbraw/zinc/40/00/73/541400073.db2.gz WRHQUHHNWVGOTR-VIFPVBQESA-N 1 0 230.308 0.890 10 0 BCAERO [NH3+]CCCCN1C(=O)c2cccnc2C1=O ZINC000054135620 181376359 /nfs/dbraw/zinc/37/63/59/181376359.db2.gz SPSHRSFCYJBUFR-UHFFFAOYSA-N 1 0 219.244 0.417 10 0 BCAERO [NH3+]CCCCNS(=O)(=O)N1CCCCC1 ZINC000037714663 181377637 /nfs/dbraw/zinc/37/76/37/181377637.db2.gz IIVZQHSSRUVGHO-UHFFFAOYSA-N 1 0 235.353 0.046 10 0 BCAERO CCC[C@@H](C)C(=O)N(CC[NH3+])CCOC ZINC000124281488 541424265 /nfs/dbraw/zinc/42/42/65/541424265.db2.gz VXBXCAQCJNRZDW-SNVBAGLBSA-N 1 0 216.325 0.856 10 0 BCAERO [NH3+]CCCCS(=O)(=O)N1CCCCCC1 ZINC000020180126 181378576 /nfs/dbraw/zinc/37/85/76/181378576.db2.gz VSXKEJUZWDJEHA-UHFFFAOYSA-N 1 0 234.365 0.931 10 0 BCAERO CC(C)[C@H](C)C(=O)N[C@]1(CO)CCC[NH2+]C1 ZINC000669385129 541438529 /nfs/dbraw/zinc/43/85/29/541438529.db2.gz ZLXPZGYDQIWPSU-CMPLNLGQSA-N 1 0 228.336 0.509 10 0 BCAERO CCCNC(=O)N(C)C1(C[NH3+])CCOCC1 ZINC000675053884 541433117 /nfs/dbraw/zinc/43/31/17/541433117.db2.gz PPGDRZDERNLBEI-UHFFFAOYSA-N 1 0 229.324 0.546 10 0 BCAERO [NH3+]CCCN(c1nccn(C2CC2)c1=O)C1CC1 ZINC000061758335 181379598 /nfs/dbraw/zinc/37/95/98/181379598.db2.gz LLVUKAKDCIAVSE-UHFFFAOYSA-N 1 0 248.330 0.896 10 0 BCAERO [NH3+]CCCN1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000105026881 181379700 /nfs/dbraw/zinc/37/97/00/181379700.db2.gz QYDHZHOXDAXTTH-RKDXNWHRSA-N 1 0 210.277 0.510 10 0 BCAERO CCO[C@@H]1CC[C@H]2[NH2+]CCN(C(C)C)[C@H]2N1 ZINC000669380632 541436979 /nfs/dbraw/zinc/43/69/79/541436979.db2.gz SWOPHNIPUCXXJQ-IJLUTSLNSA-N 1 0 227.352 0.741 10 0 BCAERO CCN(CC(=O)NC)[C@H]1CCC[NH2+]CC1 ZINC000168804318 365012241 /nfs/dbraw/zinc/01/22/41/365012241.db2.gz JAEKXXWFJQJTIW-JTQLQIEISA-N 1 0 213.325 0.196 10 0 BCAERO [NH3+]CCCN1CCN(C(=O)c2cccnc2)CC1 ZINC000020181790 181381053 /nfs/dbraw/zinc/38/10/53/181381053.db2.gz OISJVYWGBPKBCG-UHFFFAOYSA-N 1 0 248.330 0.188 10 0 BCAERO [NH3+]CCCN1CCN(Cc2ccco2)CC1 ZINC000019852845 181381360 /nfs/dbraw/zinc/38/13/60/181381360.db2.gz CPRIOZSEOGZVEW-UHFFFAOYSA-N 1 0 223.320 0.746 10 0 BCAERO [NH3+]CCCOC1=NS(=O)(=O)c2ccccc21 ZINC000051870476 181382867 /nfs/dbraw/zinc/38/28/67/181382867.db2.gz HOSMLFCXLZIOGI-UHFFFAOYSA-N 1 0 240.284 0.501 10 0 BCAERO [NH3+]CCCS(=O)(=O)N1CCCCC1 ZINC000020180063 181384339 /nfs/dbraw/zinc/38/43/39/181384339.db2.gz STPFXEGTFRWQHZ-UHFFFAOYSA-N 1 0 206.311 0.151 10 0 BCAERO [NH3+]CCCS(=O)(=O)c1ccccc1F ZINC000019438213 181385017 /nfs/dbraw/zinc/38/50/17/181385017.db2.gz YSNJKRDPKKNJHP-UHFFFAOYSA-N 1 0 217.265 0.948 10 0 BCAERO [NH3+]CCCc1noc([C@H]2CCCOC2)n1 ZINC000062243595 181388003 /nfs/dbraw/zinc/38/80/03/181388003.db2.gz ZUIMNIPPQYJNLH-QMMMGPOBSA-N 1 0 211.265 0.855 10 0 BCAERO [NH3+]CCCc1nnc(-c2ccnnc2)o1 ZINC000083344369 181388525 /nfs/dbraw/zinc/38/85/25/181388525.db2.gz QJYZQPNGVZGELU-UHFFFAOYSA-N 1 0 205.221 0.418 10 0 BCAERO [NH3+]CCCn1cccc(Br)c1=O ZINC000057832350 181389649 /nfs/dbraw/zinc/38/96/49/181389649.db2.gz LVBUUQQTSVYYSA-UHFFFAOYSA-N 1 0 231.093 0.960 10 0 BCAERO [NH3+]CCN1C(=O)S/C(=C/C2CC2)C1=O ZINC000051690949 181392256 /nfs/dbraw/zinc/39/22/56/181392256.db2.gz ZJDYLHNBTDRPQE-FNORWQNLSA-N 1 0 212.274 0.934 10 0 BCAERO [NH3+]CCNC(=O)/C=C/c1ccc(F)cc1 ZINC000037902486 181392663 /nfs/dbraw/zinc/39/26/63/181392663.db2.gz XEXPDBRMBHWIPQ-ZZXKWVIFSA-N 1 0 208.236 0.914 10 0 BCAERO [NH3+]CCNC(=O)CSc1ccccn1 ZINC000049478506 181394760 /nfs/dbraw/zinc/39/47/60/181394760.db2.gz RWMACGHDUFVIGV-UHFFFAOYSA-N 1 0 211.290 0.249 10 0 BCAERO [NH3+]CCNC(=O)[C@@H]1Cc2ccccc2N1 ZINC000041043476 181395653 /nfs/dbraw/zinc/39/56/53/181395653.db2.gz MIFHDBORVZQUCO-JTQLQIEISA-N 1 0 205.261 0.098 10 0 BCAERO [NH3+]CCNC(=O)c1cc(=O)c2ccccc2o1 ZINC000037902456 181395720 /nfs/dbraw/zinc/39/57/20/181395720.db2.gz ISRNOPPGBHYHMD-UHFFFAOYSA-N 1 0 232.239 0.482 10 0 BCAERO [NH3+]CCN[C@@H]([C@H]1CCCO1)C(F)(F)F ZINC000068576007 181397536 /nfs/dbraw/zinc/39/75/36/181397536.db2.gz ALEQPWLRXBDCMJ-RQJHMYQMSA-N 1 0 212.215 0.645 10 0 BCAERO [NH3+]CCNc1cc2ccccc2c(=O)[nH]1 ZINC000037757110 181397645 /nfs/dbraw/zinc/39/76/45/181397645.db2.gz RMCOVBVEVIFLEH-UHFFFAOYSA-N 1 0 203.245 0.899 10 0 BCAERO NC(=O)c1ccc(OCC[NH3+])c(Cl)c1 ZINC000062791657 181399886 /nfs/dbraw/zinc/39/98/86/181399886.db2.gz WOOVANSQUNPESS-UHFFFAOYSA-N 1 0 214.652 0.776 10 0 BCAERO O=C(NCc1csc(=O)[nH]1)[C@H]1C[C@H](F)C[NH2+]1 ZINC000574754553 365134696 /nfs/dbraw/zinc/13/46/96/365134696.db2.gz FNUCNOKARYCWGT-CAHLUQPWSA-N 1 0 245.279 0.165 10 0 BCAERO [NH3+]CCc1nc[nH]c1I ZINC000032237371 181413961 /nfs/dbraw/zinc/41/39/61/181413961.db2.gz VFGXPKFIDXTKNM-UHFFFAOYSA-N 1 0 237.044 0.516 10 0 BCAERO COC[C@H](C)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000171541683 365213028 /nfs/dbraw/zinc/21/30/28/365213028.db2.gz JNWWBTYZFLQEEJ-VHSXEESVSA-N 1 0 214.309 0.431 10 0 BCAERO [NH3+]C[C@@H](c1cccs1)N1CCS(=O)CC1 ZINC000042325991 181426358 /nfs/dbraw/zinc/42/63/58/181426358.db2.gz ANHVWJVKHVYQTN-VIFPVBQESA-N 1 0 244.385 0.812 10 0 BCAERO Cc1nc(CN2CCO[C@@H]3C[NH2+]C[C@@H]32)oc1C ZINC000575320293 365288084 /nfs/dbraw/zinc/28/80/84/365288084.db2.gz PGPZYNBTFKLEHR-WDEREUQCSA-N 1 0 237.303 0.464 10 0 BCAERO CSCC(=O)N1CCN(C[C@@H](C)O)[C@H](C)C1 ZINC000174311582 365481650 /nfs/dbraw/zinc/48/16/50/365481650.db2.gz ABHSGALPUKIKJO-NXEZZACHSA-N 1 0 246.376 0.263 10 0 BCAERO CC(C)CC(=O)NCCN1CCC([NH3+])CC1 ZINC000321240579 541491464 /nfs/dbraw/zinc/49/14/64/541491464.db2.gz FKDHSGSDUKCDJU-UHFFFAOYSA-N 1 0 227.352 0.572 10 0 BCAERO CCOC(=O)[C@@H]1CNC2=[NH+][C@H](C)CN2[C@@H]1C ZINC000233988715 541510377 /nfs/dbraw/zinc/51/03/77/541510377.db2.gz QFWFWBZXAXJHGP-IWSPIJDZSA-N 1 0 225.292 0.218 10 0 BCAERO CCn1cc([C@@H]2CCNC3=[NH+]CCN32)cn1 ZINC000234230631 541511995 /nfs/dbraw/zinc/51/19/95/541511995.db2.gz LAQPASNCQQUXCO-JTQLQIEISA-N 1 0 219.292 0.609 10 0 BCAERO CCOC(=O)[C@H]1Cn2cc[nH+]c2N[C@@H]1C ZINC000233967377 541510157 /nfs/dbraw/zinc/51/01/57/541510157.db2.gz JQEJCGQRXBBXDH-SFYZADRCSA-N 1 0 209.249 0.876 10 0 BCAERO C[C@H]1C[C@H](NC(=O)[C@H]2CC[NH2+]C2)CCO1 ZINC000580771386 367161480 /nfs/dbraw/zinc/16/14/80/367161480.db2.gz DXLSTLIYCPLNQV-LPEHRKFASA-N 1 0 212.293 0.280 10 0 BCAERO CCCn1ncnc1CN1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000381412907 367398417 /nfs/dbraw/zinc/39/84/17/367398417.db2.gz ZAWHXYUSRWNEIE-QJPTWQEYSA-N 1 0 249.362 0.857 10 0 BCAERO CCC(=O)CCC[N@@H+]1C[C@H](OC)C[C@H]1CO ZINC000381550404 367428770 /nfs/dbraw/zinc/42/87/70/367428770.db2.gz MLMZNBOGZINGCB-CMPLNLGQSA-N 1 0 229.320 0.827 10 0 BCAERO CCC(=O)CCC[N@@H+]1C[C@@H](OC)C[C@H]1CO ZINC000381550407 367428475 /nfs/dbraw/zinc/42/84/75/367428475.db2.gz MLMZNBOGZINGCB-JQWIXIFHSA-N 1 0 229.320 0.827 10 0 BCAERO COC(=O)c1cncc(N[C@H](C)[C@@H](C)[NH3+])n1 ZINC000381534017 367425592 /nfs/dbraw/zinc/42/55/92/367425592.db2.gz BJYPGLSGWPLMDF-RNFRBKRXSA-N 1 0 224.264 0.411 10 0 BCAERO C[C@@H](C[NH2+][C@@H]1CCO[C@@H]1C)CS(C)(=O)=O ZINC000382041649 367481628 /nfs/dbraw/zinc/48/16/28/367481628.db2.gz XRYYVHTXWPXUAM-IVZWLZJFSA-N 1 0 235.349 0.434 10 0 BCAERO CC(C)[C@H]1[NH2+]CC[C@@H]1c1nc(CN)no1 ZINC000381561707 367430688 /nfs/dbraw/zinc/43/06/88/367430688.db2.gz QNKORTJXPNSXCF-IONNQARKSA-N 1 0 210.281 0.630 10 0 BCAERO OC1(C[NH2+][C@@H]2CCc3ncnn3C2)CCC1 ZINC000381559947 367431051 /nfs/dbraw/zinc/43/10/51/367431051.db2.gz QTUVCDFPCVEAQI-SECBINFHSA-N 1 0 222.292 0.098 10 0 BCAERO CC1(C[N@@H+]2CC[C@H]3OCCN[C@@H]3C2)CC1 ZINC000381590364 367434614 /nfs/dbraw/zinc/43/46/14/367434614.db2.gz JEPZNLUXIAUQTH-GHMZBOCLSA-N 1 0 210.321 0.849 10 0 BCAERO CO[C@H]1C[NH2+][C@@H](C(=O)N(C)CCC2CC2)C1 ZINC000381643464 367442653 /nfs/dbraw/zinc/44/26/53/367442653.db2.gz PTLZTPOQFVHHAQ-GHMZBOCLSA-N 1 0 226.320 0.622 10 0 BCAERO OCC(CO)[NH2+]C[C@H]1CCCCC1(F)F ZINC000381868084 367463251 /nfs/dbraw/zinc/46/32/51/367463251.db2.gz JFRMPWAGHPKXIP-MRVPVSSYSA-N 1 0 223.263 0.755 10 0 BCAERO Cc1cc(N[C@H]2CC[C@H](C[NH3+])C2)n2ncnc2n1 ZINC000382456519 367525912 /nfs/dbraw/zinc/52/59/12/367525912.db2.gz JTNCMMSAABTPMK-UWVGGRQHSA-N 1 0 246.318 0.972 10 0 BCAERO NC(=O)c1cc(N[C@@H]2CC[C@@H](C[NH3+])C2)ccn1 ZINC000382478050 367529808 /nfs/dbraw/zinc/52/98/08/367529808.db2.gz KTTYQEJYIYNCMQ-RKDXNWHRSA-N 1 0 234.303 0.142 10 0 BCAERO CSC[C@@H](O)C[NH2+][C@@H]1CCO[C@@H]1C ZINC000382339310 367509649 /nfs/dbraw/zinc/50/96/49/367509649.db2.gz ZEBIRNGCFFMCEY-HRDYMLBCSA-N 1 0 205.323 0.477 10 0 BCAERO CC(=O)CC(=O)N[C@H]1C[NH+]2CCC1CC2 ZINC000037790603 367524554 /nfs/dbraw/zinc/52/45/54/367524554.db2.gz GFHJORSYHOKVSP-JTQLQIEISA-N 1 0 210.277 0.176 10 0 BCAERO CC[N@H+](C)C[C@H](O)CN1C[C@H]2CCC[C@H]21 ZINC000581555892 367587307 /nfs/dbraw/zinc/58/73/07/367587307.db2.gz AOIRLPBHJNTGAL-GRYCIOLGSA-N 1 0 212.337 0.783 10 0 BCAERO COc1ccnc(N[C@@H](CC[NH3+])C(F)F)n1 ZINC000383527561 367634517 /nfs/dbraw/zinc/63/45/17/367634517.db2.gz YAJUALARADUMHR-LURJTMIESA-N 1 0 232.234 0.880 10 0 BCAERO COc1ccnc(N[C@H](CC[NH3+])C(F)F)n1 ZINC000383527562 367634549 /nfs/dbraw/zinc/63/45/49/367634549.db2.gz YAJUALARADUMHR-ZCFIWIBFSA-N 1 0 232.234 0.880 10 0 BCAERO C[C@H]1[NH2+]CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1O ZINC000384251564 367680348 /nfs/dbraw/zinc/68/03/48/367680348.db2.gz MMNGVZZOOMJKRA-WRWGMCAJSA-N 1 0 240.347 0.794 10 0 BCAERO COC(=O)C(C)(C)NC(=O)[C@H]1CCC[NH2+][C@@H]1C ZINC000384430138 367691437 /nfs/dbraw/zinc/69/14/37/367691437.db2.gz VOSKJPAYPLMSPL-BDAKNGLRSA-N 1 0 242.319 0.442 10 0 BCAERO COC(=O)CCCNC(=O)[C@H]1CCC[NH2+][C@@H]1C ZINC000384480155 367692857 /nfs/dbraw/zinc/69/28/57/367692857.db2.gz POEBIDSBPLQHJL-ZJUUUORDSA-N 1 0 242.319 0.444 10 0 BCAERO C[C@H]1[C@H](O)CCC[N@@H+]1CCCCCO ZINC000384901885 367753002 /nfs/dbraw/zinc/75/30/02/367753002.db2.gz OAZQYIVKXUJGHM-WDEREUQCSA-N 1 0 201.310 0.994 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)Cc1cc[nH]n1 ZINC000262581163 181432586 /nfs/dbraw/zinc/43/25/86/181432586.db2.gz LZTXMIDSMNVYMQ-WPRPVWTQSA-N 1 0 222.292 0.196 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@H]1N1C(=O)CCCC1=O ZINC000035676860 181432609 /nfs/dbraw/zinc/43/26/09/181432609.db2.gz OXUAHCZDNPCMPO-DTWKUNHWSA-N 1 0 210.277 0.653 10 0 BCAERO CC(C)CNC(=O)C[N@@H+]1CCC[C@H](O)[C@H]1C ZINC000384955367 367764043 /nfs/dbraw/zinc/76/40/43/367764043.db2.gz GRTQRELLWIAZQO-MNOVXSKESA-N 1 0 228.336 0.604 10 0 BCAERO C[C@H](O)CCC[N@@H+]1CCC[C@H](O)[C@@H]1C ZINC000384977264 367768926 /nfs/dbraw/zinc/76/89/26/367768926.db2.gz YSPRTKOLLKKXQN-DCAQKATOSA-N 1 0 201.310 0.993 10 0 BCAERO CCCN(C)C(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000087638908 367947407 /nfs/dbraw/zinc/94/74/07/367947407.db2.gz SZZZPFRFEAVYGD-UHFFFAOYSA-N 1 0 227.352 0.539 10 0 BCAERO C[NH2+][C@H](C)C(=O)NC[C@H]1CCCS1 ZINC000087668594 367965991 /nfs/dbraw/zinc/96/59/91/367965991.db2.gz SUJLATQVGSIHQU-HTQZYQBOSA-N 1 0 202.323 0.606 10 0 BCAERO CC[C@@H]([NH2+]Cc1c(C)nn(C)c1OC)[C@@H](C)O ZINC000386886981 368031047 /nfs/dbraw/zinc/03/10/47/368031047.db2.gz MZENEEHDCVNTBF-MWLCHTKSSA-N 1 0 241.335 0.986 10 0 BCAERO C[C@H]([NH3+])[C@H](C)C(=O)N[C@H]1CCCOC1 ZINC000252859459 368162539 /nfs/dbraw/zinc/16/25/39/368162539.db2.gz MMQZNELGIROFEA-CIUDSAMLSA-N 1 0 200.282 0.265 10 0 BCAERO C[C@@H](C[S@@](C)=O)N1CC[NH2+][C@H](C)CC1 ZINC000252950333 368170268 /nfs/dbraw/zinc/17/02/68/368170268.db2.gz OPDQXOUTJIWJFI-ISTVAULSSA-N 1 0 218.366 0.437 10 0 BCAERO C[C@H](C[S@](C)=O)N1CC[NH2+][C@H](C)CC1 ZINC000252950334 368170327 /nfs/dbraw/zinc/17/03/27/368170327.db2.gz OPDQXOUTJIWJFI-RULNRJAQSA-N 1 0 218.366 0.437 10 0 BCAERO COC[C@@H]1C[NH2+]C[C@H](COc2ccccc2)N1 ZINC000038387043 368326577 /nfs/dbraw/zinc/32/65/77/368326577.db2.gz KSGMRFACZMEHTJ-NWDGAFQWSA-N 1 0 236.315 0.642 10 0 BCAERO [NH3+]C[C@@H]1CCS[C@@]12CCCS(=O)(=O)C2 ZINC000082332050 181435688 /nfs/dbraw/zinc/43/56/88/181435688.db2.gz MXCASIVSJJJSKI-DTWKUNHWSA-N 1 0 235.374 0.646 10 0 BCAERO CC[C@@H]1CN([C@@H]2C[NH2+]C[C@H]2O)CCS1 ZINC000253073745 368471789 /nfs/dbraw/zinc/47/17/89/368471789.db2.gz PBIXUZOJIXYKRJ-OPRDCNLKSA-N 1 0 216.350 0.147 10 0 BCAERO C[C@@H]1C[C@H](C)[C@H](C)[N@H+](C[C@@H](N)C(N)=O)C1 ZINC000253107769 368491612 /nfs/dbraw/zinc/49/16/12/368491612.db2.gz VOFKIGGBFHALLK-XFWSIPNHSA-N 1 0 213.325 0.165 10 0 BCAERO C[NH2+][C@@H](C)C(=O)N[C@H]1CC[C@H](O)CC1 ZINC000253113957 368506889 /nfs/dbraw/zinc/50/68/89/368506889.db2.gz FBCBDCOAVLMDQO-CIUDSAMLSA-N 1 0 200.282 0.014 10 0 BCAERO COc1ncccc1C(=O)N1CCC[C@@H]1C[NH3+] ZINC000111366262 368856739 /nfs/dbraw/zinc/85/67/39/368856739.db2.gz QLBKSBORLFLXPZ-SECBINFHSA-N 1 0 235.287 0.654 10 0 BCAERO CC[C@H](CCO)CNC(=O)[C@@]1(C)CCC[NH2+]1 ZINC000087369752 368893092 /nfs/dbraw/zinc/89/30/92/368893092.db2.gz HBXSATIICQDCLI-ZYHUDNBSSA-N 1 0 228.336 0.653 10 0 BCAERO CCCC[C@@H](C[NH3+])NC(=O)c1nnc[nH]1 ZINC000087779383 368897791 /nfs/dbraw/zinc/89/77/91/368897791.db2.gz MFXCNXODVTXLMM-ZETCQYMHSA-N 1 0 211.269 0.052 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)N(C)CC(C)(C)C[NH3+])O1 ZINC000088142226 368906047 /nfs/dbraw/zinc/90/60/47/368906047.db2.gz UTHRMGNMKPXJDX-NXEZZACHSA-N 1 0 228.336 0.997 10 0 BCAERO OC1(CNN2CCOCC2)CCCC1 ZINC000215085343 368941475 /nfs/dbraw/zinc/94/14/75/368941475.db2.gz CKTVXRFHNVEAAV-UHFFFAOYSA-N 1 0 200.282 0.128 10 0 BCAERO CN(Cc1nccn1C)C(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000091544624 369013523 /nfs/dbraw/zinc/01/35/23/369013523.db2.gz DRMNDOZVZWCTHF-ZJUUUORDSA-N 1 0 236.319 0.506 10 0 BCAERO C[C@@H]1C[C@H]([NH2+][C@@H]2CCOC[C@@H]2O)[C@@H](C)O1 ZINC000623766675 369029761 /nfs/dbraw/zinc/02/97/61/369029761.db2.gz KFAIEFGBVOZKBQ-APLZJWDSSA-N 1 0 215.293 0.292 10 0 BCAERO C[C@@H]1C[C@H]([NH2+][C@@H]2CCOC[C@@H]2O)[C@H](C)O1 ZINC000623766678 369030297 /nfs/dbraw/zinc/03/02/97/369030297.db2.gz KFAIEFGBVOZKBQ-XXFSISAASA-N 1 0 215.293 0.292 10 0 BCAERO CCc1nn(C)cc1C[NH2+][C@H]1CCOC[C@H]1O ZINC000623766760 369031892 /nfs/dbraw/zinc/03/18/92/369031892.db2.gz LPXLJHXASHRHRB-NWDGAFQWSA-N 1 0 239.319 0.222 10 0 BCAERO C[C@H](C[NH3+])C(=O)N[C@@H]1CCC[C@H](O)C1 ZINC000054338072 369067747 /nfs/dbraw/zinc/06/77/47/369067747.db2.gz RBXWNXGEWGOTHO-HLTSFMKQSA-N 1 0 200.282 0.001 10 0 BCAERO C[C@H]1CN(CC(=O)N2CCCC2)C[C@H]1C[NH3+] ZINC000631838986 369123782 /nfs/dbraw/zinc/12/37/82/369123782.db2.gz XZSSSQYDWUNANU-WDEREUQCSA-N 1 0 225.336 0.135 10 0 BCAERO OCC[N@@H+]1CCCO[C@H](Nc2ccccn2)C1 ZINC000616678046 369110309 /nfs/dbraw/zinc/11/03/09/369110309.db2.gz DLOQEWZABJCNEG-LBPRGKRZSA-N 1 0 237.303 0.534 10 0 BCAERO [NH3+]C[C@H](O)CN1CCCCCCC1=O ZINC000019269293 181448754 /nfs/dbraw/zinc/44/87/54/181448754.db2.gz WCZDKNBXAWANBO-VIFPVBQESA-N 1 0 200.282 0.099 10 0 BCAERO [NH3+]CCN1CCCO[C@H](c2cnoc2)C1 ZINC000616681752 369111091 /nfs/dbraw/zinc/11/10/91/369111091.db2.gz VKHDYDRRKIKLBK-JTQLQIEISA-N 1 0 211.265 0.397 10 0 BCAERO OCC[N@@H+]1CCCO[C@H](c2cncnc2)C1 ZINC000616681632 369111254 /nfs/dbraw/zinc/11/12/54/369111254.db2.gz QVDRGWZJQISQPN-NSHDSACASA-N 1 0 223.276 0.232 10 0 BCAERO [NH3+]CCN1c2ccccc2NC[C@@H]1c1nc[nH]n1 ZINC000616690717 369113872 /nfs/dbraw/zinc/11/38/72/369113872.db2.gz FMSXMUAUCQODFE-LLVKDONJSA-N 1 0 244.302 0.737 10 0 BCAERO [NH3+]C[C@H]1CCN(CC(=O)c2nccs2)C1 ZINC000095072687 181465378 /nfs/dbraw/zinc/46/53/78/181465378.db2.gz XIYFVUFDSJZGFJ-MRVPVSSYSA-N 1 0 225.317 0.606 10 0 BCAERO [NH3+]C[C@H]1CC[C@@H](COC2CCOCC2)O1 ZINC000052597248 181465657 /nfs/dbraw/zinc/46/56/57/181465657.db2.gz YKBKFCADLCQIDZ-MNOVXSKESA-N 1 0 215.293 0.688 10 0 BCAERO CN1CCN(c2cccc(N)c2)C(=O)C1 ZINC000106884819 369214895 /nfs/dbraw/zinc/21/48/95/369214895.db2.gz FJCODNCRRVSOBW-UHFFFAOYSA-N 1 0 205.261 0.547 10 0 BCAERO CC(C)([NH3+])CN1CCC2(CC1)OCCO2 ZINC000107155338 369310528 /nfs/dbraw/zinc/31/05/28/369310528.db2.gz SPTUDDHWVSVRIE-UHFFFAOYSA-N 1 0 214.309 0.563 10 0 BCAERO COC[C@H](C)C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000108328108 369387891 /nfs/dbraw/zinc/38/78/91/369387891.db2.gz KQHIUEQMMUHALB-QWRGUYRKSA-N 1 0 228.336 0.727 10 0 BCAERO CSC[C@H]1CCCN1C(=O)[C@@H]1CC[NH2+]C1 ZINC000400013258 369340267 /nfs/dbraw/zinc/34/02/67/369340267.db2.gz XQQIPRRHTBHMLU-NXEZZACHSA-N 1 0 228.361 0.950 10 0 BCAERO CSC[C@H]1CCCN1C(=O)[C@H]1CC[NH2+]C1 ZINC000400013260 369340485 /nfs/dbraw/zinc/34/04/85/369340485.db2.gz XQQIPRRHTBHMLU-VHSXEESVSA-N 1 0 228.361 0.950 10 0 BCAERO CC(C)n1cncc1C[NH2+][C@@H]1CCOC[C@@H]1O ZINC000623767441 369395537 /nfs/dbraw/zinc/39/55/37/369395537.db2.gz WDUPPHKNCYFNCD-NEPJUHHUSA-N 1 0 239.319 0.703 10 0 BCAERO Cc1occc1C[NH2+][C@H]1CCOC[C@@H]1O ZINC000623767579 369398122 /nfs/dbraw/zinc/39/81/22/369398122.db2.gz YDLJCTHHQYDELH-QWRGUYRKSA-N 1 0 211.261 0.827 10 0 BCAERO O[C@H]1COCC[C@H]1[NH2+]Cc1cncs1 ZINC000623767655 369401547 /nfs/dbraw/zinc/40/15/47/369401547.db2.gz ZNMMXVWFLOLSCN-BDAKNGLRSA-N 1 0 214.290 0.383 10 0 BCAERO O=C(c1ccc[nH]1)N1CC[C@H]2OCC[NH2+][C@H]2C1 ZINC000404045905 369417497 /nfs/dbraw/zinc/41/74/97/369417497.db2.gz IUHIGIYYEFWKGH-WDEREUQCSA-N 1 0 235.287 0.218 10 0 BCAERO CC(C)OCCN1CC[C@H]2OCC[NH2+][C@@H]2C1 ZINC000404181859 369422239 /nfs/dbraw/zinc/42/22/39/369422239.db2.gz IDMPIDFSLWAGCF-VXGBXAGGSA-N 1 0 228.336 0.474 10 0 BCAERO c1csc(CN2CC[C@H]3OCC[NH2+][C@@H]3C2)n1 ZINC000404200713 369422540 /nfs/dbraw/zinc/42/25/40/369422540.db2.gz PLCMOVGIHRWDQU-NXEZZACHSA-N 1 0 239.344 0.706 10 0 BCAERO c1ncc(CN2CC[C@@H]3OCC[NH2+][C@@H]3C2)s1 ZINC000404191253 369422991 /nfs/dbraw/zinc/42/29/91/369422991.db2.gz LEOHHCJFWXPTPK-MNOVXSKESA-N 1 0 239.344 0.706 10 0 BCAERO [NH3+]Cc1ccc(C(=O)N2CC[C@@H](O)C2)cc1 ZINC000061707653 181481239 /nfs/dbraw/zinc/48/12/39/181481239.db2.gz XFWOFDZJGYDPJC-LLVKDONJSA-N 1 0 220.272 0.352 10 0 BCAERO [NH3+]Cc1ccc(CN2CCS(=O)CC2)o1 ZINC000052516247 181481819 /nfs/dbraw/zinc/48/18/19/181481819.db2.gz YNURBRQIVJAMFK-UHFFFAOYSA-N 1 0 228.317 0.303 10 0 BCAERO [NH3+]Cc1ccc(CN2C(=O)CCC2=O)c(F)c1 ZINC000019407643 181481977 /nfs/dbraw/zinc/48/19/77/181481977.db2.gz GOUITHZRKLZZQX-UHFFFAOYSA-N 1 0 236.246 0.933 10 0 BCAERO [NH3+]Cc1ccc(OCC(=O)Nc2cn[nH]c2)cc1 ZINC000035763465 181486115 /nfs/dbraw/zinc/48/61/15/181486115.db2.gz QTPLOCZDVNGNSR-UHFFFAOYSA-N 1 0 246.270 0.886 10 0 BCAERO [NH3+]Cc1cccc(OC[C@H]2CNC(=O)O2)c1 ZINC000037700574 181489406 /nfs/dbraw/zinc/48/94/06/181489406.db2.gz OJMYOQDTWXSNMR-SNVBAGLBSA-N 1 0 222.244 0.633 10 0 BCAERO [NH3+]Cc1cccc(OC[C@@H](O)Cn2ccnc2)c1 ZINC000035727624 181489650 /nfs/dbraw/zinc/48/96/50/181489650.db2.gz XCQJMTANNNWNTC-LBPRGKRZSA-N 1 0 247.298 0.782 10 0 BCAERO COC(=O)CCCN(C)C(=O)[C@H]1CC[NH2+]C1 ZINC000062114974 369970253 /nfs/dbraw/zinc/97/02/53/369970253.db2.gz VVIGMPBKKSBTQJ-VIFPVBQESA-N 1 0 228.292 0.008 10 0 BCAERO CCN1CC[C@@H]([NH2+]C[C@H](O)CC(F)(F)F)C1 ZINC000307948922 370069184 /nfs/dbraw/zinc/06/91/84/370069184.db2.gz PMWMSTVVDGRBKJ-RKDXNWHRSA-N 1 0 240.269 0.984 10 0 BCAERO CCOC(=O)CN1CC[C@H]([NH+](C)C)C1 ZINC000062966214 370114584 /nfs/dbraw/zinc/11/45/84/370114584.db2.gz XFKLWMTWLLHFDJ-VIFPVBQESA-N 1 0 200.282 0.185 10 0 BCAERO COC(=O)CCCN(C)C(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000111269060 370120382 /nfs/dbraw/zinc/12/03/82/370120382.db2.gz NGWCEDZANSHEHO-NXEZZACHSA-N 1 0 242.319 0.254 10 0 BCAERO c1c[nH]c(C[NH2+][C@H]2CCc3nccn3C2)n1 ZINC000309525209 370221594 /nfs/dbraw/zinc/22/15/94/370221594.db2.gz CJHMWCPIOPZPBE-VIFPVBQESA-N 1 0 217.276 0.711 10 0 BCAERO Cc1cc(C[NH2+][C@H]2CCOC[C@@H]2O)ccn1 ZINC000623768361 370255775 /nfs/dbraw/zinc/25/57/75/370255775.db2.gz SZJHTZBQDVCBRL-RYUDHWBXSA-N 1 0 222.288 0.629 10 0 BCAERO CC1CC(CNC(=O)[C@H]2C[NH2+]CCOC2)C1 ZINC000621676332 370428266 /nfs/dbraw/zinc/42/82/66/370428266.db2.gz IJNVKYOOGCNFBS-ILDUYXDCSA-N 1 0 226.320 0.385 10 0 BCAERO CCN1CCO[C@@H](C[NH2+]Cc2ccncc2)C1 ZINC000113266813 370397103 /nfs/dbraw/zinc/39/71/03/370397103.db2.gz NBPWNQWJJGQLKS-ZDUSSCGKSA-N 1 0 235.331 0.892 10 0 BCAERO CCCCOC[C@H](O)C[NH2+]C[C@H](O)C1CCC1 ZINC000315802787 326342807 /nfs/dbraw/zinc/34/28/07/326342807.db2.gz WIBKZLCYDDQTIQ-OLZOCXBDSA-N 1 0 245.363 0.915 10 0 BCAERO CSc1nc(NN(C)C)cc(NN)[nH+]1 ZINC000215321055 370539105 /nfs/dbraw/zinc/53/91/05/370539105.db2.gz YYPPPXRYVKOHNT-UHFFFAOYSA-N 1 0 214.298 0.373 10 0 BCAERO OC[C@@H](c1cncs1)N1CC[NH2+]CC1 ZINC000161591812 370540781 /nfs/dbraw/zinc/54/07/81/370540781.db2.gz NBQSIMVLFUYLBC-QMMMGPOBSA-N 1 0 213.306 0.082 10 0 BCAERO CC1=[N+]([O-])[C@@]2(O)CCCC[C@]2(C)[N+](O)=C1C ZINC000225411619 370579142 /nfs/dbraw/zinc/57/91/42/370579142.db2.gz BBKQRDJUJHSECM-WDEREUQCSA-N 1 0 228.292 0.747 10 0 BCAERO O=C1CCCN1CC[C@H]1C[NH2+]Cc2ccnn2C1 ZINC000247852500 259546030 /nfs/dbraw/zinc/54/60/30/259546030.db2.gz HVRKKCNSEQKCDU-NSHDSACASA-N 1 0 248.330 0.615 10 0 BCAERO C[C@H](O)CCNC(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000082995817 371058352 /nfs/dbraw/zinc/05/83/52/371058352.db2.gz CREOWYABIAEDHX-QWRGUYRKSA-N 1 0 228.336 0.653 10 0 BCAERO Oc1cccc(C[NH2+][C@H]2CCOC[C@@H]2O)c1 ZINC000623764208 371085994 /nfs/dbraw/zinc/08/59/94/371085994.db2.gz AHCXQTHQOILWOT-RYUDHWBXSA-N 1 0 223.272 0.632 10 0 BCAERO CC[C@@H]1C[C@H]([NH2+][C@H]2CCOC[C@@H]2O)CCO1 ZINC000623767068 371086217 /nfs/dbraw/zinc/08/62/17/371086217.db2.gz PJEVMVYVMXMPBO-WYUUTHIRSA-N 1 0 229.320 0.683 10 0 BCAERO CCC(=O)NC[C@H]1CN(CC)CCO1 ZINC000123892135 371121004 /nfs/dbraw/zinc/12/10/04/371121004.db2.gz FGXPTAOVIOOAKV-VIFPVBQESA-N 1 0 200.282 0.233 10 0 BCAERO O=C([C@H]1CC[NH2+]C1)N1CC[C@@H]2OCC[C@@H]2C1 ZINC000569004629 326386452 /nfs/dbraw/zinc/38/64/52/326386452.db2.gz ILLSLMBGKLPXOP-AXFHLTTASA-N 1 0 224.304 0.233 10 0 BCAERO NNc1[nH+]cnc(Nc2cccnc2)c1N ZINC000040759723 181521558 /nfs/dbraw/zinc/52/15/58/181521558.db2.gz AITOZPZIZCJXLF-UHFFFAOYSA-N 1 0 217.236 0.483 10 0 BCAERO COc1cc(NC[C@@H]2C[NH2+]CCCO2)ncn1 ZINC000389873513 371179127 /nfs/dbraw/zinc/17/91/27/371179127.db2.gz CRHBIPLSEIOFNG-VIFPVBQESA-N 1 0 238.291 0.276 10 0 BCAERO NS(=O)(=O)c1ccccc1N[C@@H]1CC[NH2+]C1 ZINC000052093856 181531504 /nfs/dbraw/zinc/53/15/04/181531504.db2.gz FVLAKVKLFYISTQ-MRVPVSSYSA-N 1 0 241.316 0.108 10 0 BCAERO Cc1nnc2n1C[C@H]([NH2+]CC1CC1)CC2 ZINC000389914579 371180571 /nfs/dbraw/zinc/18/05/71/371180571.db2.gz KOHDQXXVIFWPGY-SNVBAGLBSA-N 1 0 206.293 0.901 10 0 BCAERO [NH3+][C@@H](CO)COc1ccc(F)cc1F ZINC000071508534 181548205 /nfs/dbraw/zinc/54/82/05/181548205.db2.gz IHVITHXXCDMPFO-ZETCQYMHSA-N 1 0 203.188 0.663 10 0 BCAERO [NH3+][C@@H](c1ccc2[nH]c(=O)c(=O)[nH]c2c1)C1CC1 ZINC000019842494 181562236 /nfs/dbraw/zinc/56/22/36/181562236.db2.gz PEBGNSCTYUXEKC-SNVBAGLBSA-N 1 0 231.255 0.626 10 0 BCAERO [NH3+][C@@H]1CCC[C@H]1N1C(=O)c2ccncc2C1=O ZINC000071336901 181584971 /nfs/dbraw/zinc/58/49/71/181584971.db2.gz GZRLLDGNIKKIQV-NXEZZACHSA-N 1 0 231.255 0.557 10 0 BCAERO [NH3+][C@H]1CC[C@@H]2CN(C(=O)c3cn[nH]n3)C[C@@H]2C1 ZINC000071215181 181654528 /nfs/dbraw/zinc/65/45/28/181654528.db2.gz KACCSIIRIIQLAA-VGMNWLOBSA-N 1 0 235.291 0.004 10 0 BCAERO [NH3+][C@H]1CCN(S(=O)(=O)C2CCCCC2)C1 ZINC000050241986 181651880 /nfs/dbraw/zinc/65/18/80/181651880.db2.gz GNQCQWJAWBRDAN-VIFPVBQESA-N 1 0 232.349 0.682 10 0 BCAERO COC[C@H]([NH2+][C@H]1CCOC[C@H]1O)C(C)C ZINC000624236528 371423554 /nfs/dbraw/zinc/42/35/54/371423554.db2.gz DYVSFMUJAPCTDK-GARJFASQSA-N 1 0 217.309 0.397 10 0 BCAERO COC[C@H]([NH2+][C@@H]1CCOC[C@@H]1O)C1CC1 ZINC000624236483 371423952 /nfs/dbraw/zinc/42/39/52/371423952.db2.gz DEJJXALGJXYPSJ-VWYCJHECSA-N 1 0 215.293 0.151 10 0 BCAERO CC[C@H](COC)[NH2+][C@H]1CCOC[C@@H]1O ZINC000624237473 371424698 /nfs/dbraw/zinc/42/46/98/371424698.db2.gz YKBNOESQBVAJKP-UTLUCORTSA-N 1 0 203.282 0.151 10 0 BCAERO CC[C@H]([NH2+][C@@H]1CCOC[C@@H]1O)[C@@H]1CCOC1 ZINC000624237120 371425017 /nfs/dbraw/zinc/42/50/17/371425017.db2.gz QBMMUZCVDHTQQR-KXNHARMFSA-N 1 0 229.320 0.541 10 0 BCAERO C[C@@H]1C[C@H]([NH2+][C@@H]2CCOC[C@@H]2O)CN1C1CC1 ZINC000624237269 371425229 /nfs/dbraw/zinc/42/52/29/371425229.db2.gz TVUURINJQVKRPU-DNIRFERGSA-N 1 0 240.347 0.351 10 0 BCAERO CCOC1CC([NH2+][C@@H]2CCOC[C@@H]2O)C1 ZINC000624238025 371426252 /nfs/dbraw/zinc/42/62/52/371426252.db2.gz ITYOIMSBJYEYRU-LXKPXOPUSA-N 1 0 215.293 0.293 10 0 BCAERO Cc1nccnc1[C@H](C)[NH2+][C@H]1CCOC[C@@H]1O ZINC000624237767 371426299 /nfs/dbraw/zinc/42/62/99/371426299.db2.gz DHBWNCJHDBOVMK-DCAQKATOSA-N 1 0 237.303 0.585 10 0 BCAERO CC1(C)C[C@H]([NH2+][C@H]2CCOC[C@H]2O)CO1 ZINC000624239793 371428713 /nfs/dbraw/zinc/42/87/13/371428713.db2.gz ULBZYYBQUBXRCO-LPEHRKFASA-N 1 0 215.293 0.293 10 0 BCAERO Nc1cccc(C(=O)NCC[NH+]2CCCC2)n1 ZINC000054132761 181740741 /nfs/dbraw/zinc/74/07/41/181740741.db2.gz NBXOIZZSYOPGOB-UHFFFAOYSA-N 1 0 234.303 0.489 10 0 BCAERO Nc1ccccc1NC(=O)[C@@H]1CC[NH2+]C1 ZINC000119428147 181755645 /nfs/dbraw/zinc/75/56/45/181755645.db2.gz RGGBMPYZOWCHIW-MRVPVSSYSA-N 1 0 205.261 0.817 10 0 BCAERO Cc1cc(OCC(F)F)nc(NN)[nH+]1 ZINC000131133370 371562194 /nfs/dbraw/zinc/56/21/94/371562194.db2.gz WHZAJJCXHKJOJC-UHFFFAOYSA-N 1 0 204.180 0.715 10 0 BCAERO [NH2+]=C1NC[C@H](c2nccs2)N1C1CC1 ZINC000161836050 371571097 /nfs/dbraw/zinc/57/10/97/371571097.db2.gz APFJAKFZXHVYOB-SSDOTTSWSA-N 1 0 208.290 0.977 10 0 BCAERO CNC(=O)[C@H](C)O[C@H]1CCCC[C@@H]1[NH3+] ZINC000131538518 371619325 /nfs/dbraw/zinc/61/93/25/371619325.db2.gz DXMBDZYTJSOCCP-CIUDSAMLSA-N 1 0 200.282 0.407 10 0 BCAERO COC(=O)[C@@H](C1CC1)N1CC[C@@H]([NH+](C)C)C1 ZINC000226491086 371681184 /nfs/dbraw/zinc/68/11/84/371681184.db2.gz RVNXDONIYIIZPU-GHMZBOCLSA-N 1 0 226.320 0.574 10 0 BCAERO C[C@@H]1[NH2+]CC[C@@H]1C(=O)Cc1ccn(C)n1 ZINC000226685869 371722822 /nfs/dbraw/zinc/72/28/22/371722822.db2.gz WNJGLTDVVILRQF-WPRPVWTQSA-N 1 0 207.277 0.530 10 0 BCAERO CS(=O)(=O)N1CCCC[C@@H](CC[NH3+])C1 ZINC000216221704 371722939 /nfs/dbraw/zinc/72/29/39/371722939.db2.gz HIEQDZQIIPGUOJ-VIFPVBQESA-N 1 0 220.338 0.397 10 0 BCAERO C[NH+](C)[C@@H]1CCN(c2ncc(N)s2)C1 ZINC000226742353 371735025 /nfs/dbraw/zinc/73/50/25/371735025.db2.gz QSVUYHNIKLTTAI-SSDOTTSWSA-N 1 0 212.322 0.866 10 0 BCAERO Cn1nnnc1S[C@@H]1CCCC[NH2+]C1 ZINC000132131937 371756019 /nfs/dbraw/zinc/75/60/19/371756019.db2.gz WGBQXWKVXFEAGL-SSDOTTSWSA-N 1 0 213.310 0.444 10 0 BCAERO C[C@@H](C(N)=S)[N@@H+]1CC[C@@H](C)[C@@H](O)C1 ZINC000230252940 371878352 /nfs/dbraw/zinc/87/83/52/371878352.db2.gz ZAKIRNORSGTKLF-CSMHCCOUSA-N 1 0 202.323 0.364 10 0 BCAERO Cc1csc([C@H](C)N2C[C@H]([NH3+])C2=O)n1 ZINC000227626476 371908355 /nfs/dbraw/zinc/90/83/55/371908355.db2.gz HOGAPAOSZXQUSD-BQBZGAKWSA-N 1 0 211.290 0.682 10 0 BCAERO CCCS(=O)(=O)N1C[C@H]([NH3+])C[C@H](C)C1 ZINC000227683087 371919868 /nfs/dbraw/zinc/91/98/68/371919868.db2.gz MKGPIPQFKSLUBX-DTWKUNHWSA-N 1 0 220.338 0.395 10 0 BCAERO [NH3+][C@H]1CCCC[C@@H]1C(=O)NCC(F)F ZINC000133085399 371985056 /nfs/dbraw/zinc/98/50/56/371985056.db2.gz DWDHGPBIANEIRH-BQBZGAKWSA-N 1 0 206.236 0.885 10 0 BCAERO Cc1nnc([C@](C)(C[NH3+])[C@H](C)O)s1 ZINC000306537241 372031709 /nfs/dbraw/zinc/03/17/09/372031709.db2.gz RCLSPRJVUMXTQP-YLWLKBPMSA-N 1 0 201.295 0.444 10 0 BCAERO [NH3+]C[C@H]1CN(C2CSC2)CCCO1 ZINC000306562254 372037061 /nfs/dbraw/zinc/03/70/61/372037061.db2.gz CFJFVKMVXHJION-VIFPVBQESA-N 1 0 202.323 0.151 10 0 BCAERO COC(=O)[C@@H]1CCC[N@H+](C[C@@H]2CCC(=O)N2)C1 ZINC000218047278 372051926 /nfs/dbraw/zinc/05/19/26/372051926.db2.gz JTEOIMOTGKZABP-ZJUUUORDSA-N 1 0 240.303 0.150 10 0 BCAERO CN(C1C[C@H]2CC[C@@H](C1)[NH2+]2)[S@@](C)=O ZINC000306660053 372052631 /nfs/dbraw/zinc/05/26/31/372052631.db2.gz MHBQPLRBJQFMNB-CWWJLMTASA-N 1 0 202.323 0.495 10 0 BCAERO COC[C@@H](C[NH3+])N1C(=O)c2ccccc2C1=O ZINC000229028175 372109223 /nfs/dbraw/zinc/10/92/23/372109223.db2.gz GHUPTKBXQTUCKZ-MRVPVSSYSA-N 1 0 234.255 0.256 10 0 BCAERO C[C@@H]1[C@@H]([C@H]2CC[NH2+]C2)CCS1(=O)=O ZINC000306779283 372067437 /nfs/dbraw/zinc/06/74/37/372067437.db2.gz VJCYPVSOVOQMAM-VGMNWLOBSA-N 1 0 203.307 0.419 10 0 BCAERO CC[S@](C)(=O)=NC(=O)[C@@H]1[NH2+]CC[C@H]1C ZINC000306878611 372075227 /nfs/dbraw/zinc/07/52/27/372075227.db2.gz ITJOVROVVHLMOU-WGZSSWNPSA-N 1 0 218.322 0.629 10 0 BCAERO C[C@@H](C[S@@](C)=O)Nc1cc[nH+]cc1N ZINC000228965009 372097701 /nfs/dbraw/zinc/09/77/01/372097701.db2.gz MCBOMJRKRVCNOM-JKYUHCHBSA-N 1 0 213.306 0.843 10 0 BCAERO C[NH2+]C1(CC(N)=O)C[C@H](C)O[C@@H](C)C1 ZINC000133747287 372101090 /nfs/dbraw/zinc/10/10/90/372101090.db2.gz UKLTUWKUAUFBGP-YUMQZZPRSA-N 1 0 200.282 0.407 10 0 BCAERO NC(=O)[C@@H]([NH3+])C[C@@H]1CCC2(CCCC2)O1 ZINC000229325319 372142614 /nfs/dbraw/zinc/14/26/14/372142614.db2.gz QDDKVTZMTZGZOD-IUCAKERBSA-N 1 0 212.293 0.681 10 0 BCAERO CS(=O)(=O)CC[C@H]1CCCC[NH2+]C1 ZINC000134216701 372180628 /nfs/dbraw/zinc/18/06/28/372180628.db2.gz WRJLNHGYKOQFIU-SECBINFHSA-N 1 0 205.323 0.811 10 0 BCAERO CCOC(=O)c1cnc(NC[C@H](C)[NH3+])nc1C ZINC000134316020 372194882 /nfs/dbraw/zinc/19/48/82/372194882.db2.gz PGTUXTALJUNHHH-ZETCQYMHSA-N 1 0 238.291 0.721 10 0 BCAERO Cc1nccnc1CN1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000631823728 372602806 /nfs/dbraw/zinc/60/28/06/372602806.db2.gz MNBIRPMPMLKKFQ-SRVKXCTJSA-N 1 0 232.331 0.954 10 0 BCAERO C([C@H]1CCCCO1)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000631828249 372609349 /nfs/dbraw/zinc/60/93/49/372609349.db2.gz KAVGXWUAKUXJKO-GRYCIOLGSA-N 1 0 226.320 0.228 10 0 BCAERO Cc1nccnc1CN1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC000631829202 372611968 /nfs/dbraw/zinc/61/19/68/372611968.db2.gz KCCOGTCMAVQREZ-OLZOCXBDSA-N 1 0 248.330 0.348 10 0 BCAERO C[C@@H]1CN(Cc2cn3cccnc3n2)C[C@@H]1C[NH3+] ZINC000631838856 372633019 /nfs/dbraw/zinc/63/30/19/372633019.db2.gz WDZBWDQVFDXGQC-MNOVXSKESA-N 1 0 245.330 0.756 10 0 BCAERO C[C@H]1CN(CC(=O)NC(C)(C)C)C[C@H]1C[NH3+] ZINC000631843906 372642490 /nfs/dbraw/zinc/64/24/90/372642490.db2.gz UATAWGLOTURIFR-VHSXEESVSA-N 1 0 227.352 0.428 10 0 BCAERO C[C@H]1CN(CC(=O)NC(C)(C)C)C[C@@H]1C[NH3+] ZINC000631843905 372642506 /nfs/dbraw/zinc/64/25/06/372642506.db2.gz UATAWGLOTURIFR-UWVGGRQHSA-N 1 0 227.352 0.428 10 0 BCAERO COCCNC(=O)CC[NH2+]Cc1ccccc1 ZINC000067221200 372724093 /nfs/dbraw/zinc/72/40/93/372724093.db2.gz TXYIDAIJKSTUBA-UHFFFAOYSA-N 1 0 236.315 0.929 10 0 BCAERO O=C(CN1CCC[NH2+]CC1)c1ccc[nH]1 ZINC000050153804 181959827 /nfs/dbraw/zinc/95/98/27/181959827.db2.gz GSCXJRGIBKSBOR-UHFFFAOYSA-N 1 0 207.277 0.493 10 0 BCAERO O=C(C[NH2+][C@H]1CCCC[C@H]1O)N1CCCC1 ZINC000052013002 181981373 /nfs/dbraw/zinc/98/13/73/181981373.db2.gz HJSHRVVTVMVBFS-WDEREUQCSA-N 1 0 226.320 0.502 10 0 BCAERO O=C(CN[C@@H]1CC[NH2+]C1)c1ccccn1 ZINC000095072743 181982032 /nfs/dbraw/zinc/98/20/32/181982032.db2.gz SUOOVOARUBSMJO-SECBINFHSA-N 1 0 205.261 0.216 10 0 BCAERO O=C(COC[C@@H]1CCCC[NH2+]1)N1CCOCC1 ZINC000051815860 181998100 /nfs/dbraw/zinc/99/81/00/181998100.db2.gz SPSAZZZMNOQNQU-NSHDSACASA-N 1 0 242.319 0.004 10 0 BCAERO O=C(COC[C@@H]1CCCC[NH2+]1)N1CCCC1 ZINC000051815994 181999019 /nfs/dbraw/zinc/99/90/19/181999019.db2.gz ADAKUZHTGLWHAH-NSHDSACASA-N 1 0 226.320 0.768 10 0 BCAERO O=C(C[C@@H]1CCCC[NH2+]1)NC[C@@H]1COCCO1 ZINC000038063071 182016439 /nfs/dbraw/zinc/01/64/39/182016439.db2.gz XYHVMOVBTOBOOL-WDEREUQCSA-N 1 0 242.319 0.050 10 0 BCAERO O=C(C[C@@H]1CCCC[NH2+]1)NC[C@H]1CCOC1 ZINC000061147295 182016456 /nfs/dbraw/zinc/01/64/56/182016456.db2.gz QIXXWYYASIRNPF-MNOVXSKESA-N 1 0 226.320 0.671 10 0 BCAERO O=C(C[C@@H]1CCC[NH2+]C1)Nc1cc[nH]n1 ZINC000054308906 182018784 /nfs/dbraw/zinc/01/87/84/182018784.db2.gz CVUARKRUQXUNRH-QMMMGPOBSA-N 1 0 208.265 0.738 10 0 BCAERO O=C(C[C@@H]1CCC[NH2+]C1)NC[C@H]1CCCO1 ZINC000054290233 182019345 /nfs/dbraw/zinc/01/93/45/182019345.db2.gz NSXVZUFJJZCLPE-WDEREUQCSA-N 1 0 226.320 0.671 10 0 BCAERO O=C(C[C@@H]1CCC[NH2+]C1)Nc1cn[nH]c1 ZINC000054306106 182019622 /nfs/dbraw/zinc/01/96/22/182019622.db2.gz XWSBENDQVVKJKM-QMMMGPOBSA-N 1 0 208.265 0.738 10 0 BCAERO O=C(C[C@@H]1C[NH2+]CCO1)Nc1ncccc1O ZINC000128608715 182022168 /nfs/dbraw/zinc/02/21/68/182022168.db2.gz RRMXPENSOJJXRX-MRVPVSSYSA-N 1 0 237.259 0.104 10 0 BCAERO O=C(C[C@@H]1CCCC[NH2+]1)N1CCC[C@@H]1CO ZINC000042435005 182017106 /nfs/dbraw/zinc/01/71/06/182017106.db2.gz IJDMKYROZSDPNM-WDEREUQCSA-N 1 0 226.320 0.502 10 0 BCAERO O=C(C[C@@H]1CCCC[NH2+]1)NC[C@@H]1CCCO1 ZINC000020597357 182017112 /nfs/dbraw/zinc/01/71/12/182017112.db2.gz LTOIKCONNYSVJJ-QWRGUYRKSA-N 1 0 226.320 0.814 10 0 BCAERO O=C(C[C@@H]1CCC[NH2+]1)NC[C@H]1CCOC1 ZINC000042168117 182017456 /nfs/dbraw/zinc/01/74/56/182017456.db2.gz SVATXPFHKWINFW-ZJUUUORDSA-N 1 0 212.293 0.281 10 0 BCAERO O=C(C[C@@H]1CCC[NH2+]1)NC[C@H](O)C(F)(F)F ZINC000226321302 182018031 /nfs/dbraw/zinc/01/80/31/182018031.db2.gz LVJLWPZGRMVYMF-BQBZGAKWSA-N 1 0 240.225 0.168 10 0 BCAERO O=C(C[C@H]1CCCC[NH2+]1)N1CCC(O)CC1 ZINC000020597184 182026830 /nfs/dbraw/zinc/02/68/30/182026830.db2.gz PQSHUZYCQVPBPA-SNVBAGLBSA-N 1 0 226.320 0.502 10 0 BCAERO O=C(C[C@H]1CCC[NH2+]1)N1CCC(O)CC1 ZINC000042165711 182027042 /nfs/dbraw/zinc/02/70/42/182027042.db2.gz NMGBFZQKQSACEZ-SECBINFHSA-N 1 0 212.293 0.112 10 0 BCAERO O=C(C[C@H]1CCCC[NH2+]1)N1CCC(CO)CC1 ZINC000036721180 182027190 /nfs/dbraw/zinc/02/71/90/182027190.db2.gz FCIHTJYPJNDYHZ-GFCCVEGCSA-N 1 0 240.347 0.750 10 0 BCAERO O=C(C[C@H]1CCCC[NH2+]1)N1CC[C@@H](O)C1 ZINC000061712610 182027704 /nfs/dbraw/zinc/02/77/04/182027704.db2.gz KARDHRUDBOTLLW-NXEZZACHSA-N 1 0 212.293 0.112 10 0 BCAERO O=C1C(C[NH2+]CCO)=CC2=CC=C[C@@H]3CCN1[C@@H]23 ZINC000039287403 372930357 /nfs/dbraw/zinc/93/03/57/372930357.db2.gz SEWUJGNIPPMCNV-ZWNOBZJWSA-N 1 0 246.310 0.222 10 0 BCAERO O=C(C[C@H]1CCC[NH2+]C1)N1CCCOCC1 ZINC000061920590 182028508 /nfs/dbraw/zinc/02/85/08/182028508.db2.gz WASDMMWJEBPKSU-LLVKDONJSA-N 1 0 226.320 0.625 10 0 BCAERO C[NH2+][C@@H]1CCC2(C[C@H]1N1CCCC1)OCCO2 ZINC000039384621 372961153 /nfs/dbraw/zinc/96/11/53/372961153.db2.gz CERNGLBORHTCEL-VXGBXAGGSA-N 1 0 240.347 0.966 10 0 BCAERO O=C(Cc1ccc(O)cc1)N[C@@H]1CC[NH2+]C1 ZINC000036286847 182037484 /nfs/dbraw/zinc/03/74/84/182037484.db2.gz IXYNMWLKHCXJAH-SNVBAGLBSA-N 1 0 220.272 0.413 10 0 BCAERO O=C(Cc1ccccc1)NC[C@H]1C[NH2+]CCO1 ZINC000036285037 182044177 /nfs/dbraw/zinc/04/41/77/182044177.db2.gz UAUBWQNRZWCVOI-GFCCVEGCSA-N 1 0 234.299 0.334 10 0 BCAERO CCS(=O)(=O)N1[C@@H](C)C[NH2+]C[C@@H]1C ZINC000068914040 373088943 /nfs/dbraw/zinc/08/89/43/373088943.db2.gz DGPVMNXUMGKNHN-YUMQZZPRSA-N 1 0 206.311 0.018 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H](C)N1C(=O)C(F)(F)F ZINC000068913538 373089560 /nfs/dbraw/zinc/08/95/60/373089560.db2.gz ZQTQCKQKGXDZMJ-OLQVQODUSA-N 1 0 210.199 0.758 10 0 BCAERO O=C(N1CC[C@@]2(CC[NH2+]C2)C1)C(F)(F)F ZINC000033426548 182082127 /nfs/dbraw/zinc/08/21/27/182082127.db2.gz FOWLWMFEMJNHTK-MRVPVSSYSA-N 1 0 222.210 0.761 10 0 BCAERO O=C(N1CC[C@H]2C[NH2+]C[C@@H]21)C(F)(F)F ZINC000039055513 182083279 /nfs/dbraw/zinc/08/32/79/182083279.db2.gz LVKYRHNOQJWUKM-WDSKDSINSA-N 1 0 208.183 0.369 10 0 BCAERO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CCCO1 ZINC000040740621 182119363 /nfs/dbraw/zinc/11/93/63/182119363.db2.gz DMPDLDNNAQKQIF-KJLIAQIISA-N 1 0 224.304 0.565 10 0 BCAERO O=C(NC1C[NH2+]C1)c1ccc(C(F)(F)F)nc1 ZINC000090289171 182119543 /nfs/dbraw/zinc/11/95/43/182119543.db2.gz KBXLDHSDQFDEGR-UHFFFAOYSA-N 1 0 245.204 0.802 10 0 BCAERO O=C(NC1CC[NH2+]CC1)c1cnns1 ZINC000035687599 182116552 /nfs/dbraw/zinc/11/65/52/182116552.db2.gz GNZTWBVLVWRYKC-UHFFFAOYSA-N 1 0 212.278 0.020 10 0 BCAERO O=C(NCC1CC1)[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC000096224877 182139810 /nfs/dbraw/zinc/13/98/10/182139810.db2.gz ZVICLFFNXLSCKW-NSHDSACASA-N 1 0 238.331 0.671 10 0 BCAERO O=C(NCC1CC1)[C@H]1COC2(C1)CC[NH2+]CC2 ZINC000096224876 182140784 /nfs/dbraw/zinc/14/07/84/182140784.db2.gz ZVICLFFNXLSCKW-LLVKDONJSA-N 1 0 238.331 0.671 10 0 BCAERO Cc1cc(Cn2cc(C(C)(C)[NH3+])nn2)no1 ZINC000069679342 373583139 /nfs/dbraw/zinc/58/31/39/373583139.db2.gz NYLDNNPCIBDTLZ-UHFFFAOYSA-N 1 0 221.264 0.817 10 0 BCAERO O=S(=O)(N[C@@H]1CCCC[NH2+]C1)C(F)F ZINC000069683806 373592804 /nfs/dbraw/zinc/59/28/04/373592804.db2.gz JNHOQBUBCWPAFZ-ZCFIWIBFSA-N 1 0 228.264 0.271 10 0 BCAERO C[C@@H]1CN(C(=O)C(F)(F)F)C[C@H](C)[NH2+]1 ZINC000069628396 373550856 /nfs/dbraw/zinc/55/08/56/373550856.db2.gz NERZQBGIZKNMCW-OLQVQODUSA-N 1 0 210.199 0.758 10 0 BCAERO C[C@@H]1CN(C(=O)C(F)(F)F)C[C@@H](C)[NH2+]1 ZINC000069628402 373551507 /nfs/dbraw/zinc/55/15/07/373551507.db2.gz NERZQBGIZKNMCW-PHDIDXHHSA-N 1 0 210.199 0.758 10 0 BCAERO O=C(NCC1CCCC1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000037258722 182146894 /nfs/dbraw/zinc/14/68/94/182146894.db2.gz UOFJEICPNPKFGV-NXEZZACHSA-N 1 0 212.293 0.016 10 0 BCAERO C[C@@H]1CCN(C(=O)C(F)(F)F)C[C@@H]1[NH3+] ZINC000069719324 373648541 /nfs/dbraw/zinc/64/85/41/373648541.db2.gz DOXMYCSKSHKPAP-RITPCOANSA-N 1 0 210.199 0.744 10 0 BCAERO CS(=O)(=O)CCc1c[nH+]ccc1N ZINC000069841284 373853710 /nfs/dbraw/zinc/85/37/10/373853710.db2.gz IQTMVUJQHWYSDO-UHFFFAOYSA-N 1 0 200.263 0.251 10 0 BCAERO O=C(NCCOCC1CC1)[C@H]1CCC[NH2+]C1 ZINC000225401990 182195808 /nfs/dbraw/zinc/19/58/08/182195808.db2.gz MXFPMCMRKJIHOA-NSHDSACASA-N 1 0 226.320 0.529 10 0 BCAERO O=C(NCC[C@H]1CCCC[NH2+]1)[C@H]1CCCO1 ZINC000019474790 182200105 /nfs/dbraw/zinc/20/01/05/182200105.db2.gz WWBNMJRZTUYERX-GHMZBOCLSA-N 1 0 226.320 0.814 10 0 BCAERO O=C(NCC[C@H]1CCCO1)[C@@H]1CCC[NH2+]C1 ZINC000038096850 182201299 /nfs/dbraw/zinc/20/12/99/182201299.db2.gz WPEPFQJAZFQDAQ-GHMZBOCLSA-N 1 0 226.320 0.671 10 0 BCAERO O=C(NCC[C@H]1CCCO1)[C@H]1CC[NH2+]C1 ZINC000062115489 182201881 /nfs/dbraw/zinc/20/18/81/182201881.db2.gz CXFBESRQGJSVDT-VHSXEESVSA-N 1 0 212.293 0.281 10 0 BCAERO O=C(NCCc1cccc(O)c1)[C@H]1CCC[NH2+]1 ZINC000169813114 182202842 /nfs/dbraw/zinc/20/28/42/182202842.db2.gz KIEGCBYJQVSADQ-GFCCVEGCSA-N 1 0 234.299 0.803 10 0 BCAERO [NH3+][C@H]1CCCN(Cc2nc(C3CC3)no2)C1 ZINC000041029424 374081394 /nfs/dbraw/zinc/08/13/94/374081394.db2.gz QDANCTMEFJASOI-VIFPVBQESA-N 1 0 222.292 0.870 10 0 BCAERO O=C(NC[C@@H](O)C(F)(F)F)C1CC[NH2+]CC1 ZINC000225389852 182218621 /nfs/dbraw/zinc/21/86/21/182218621.db2.gz MJBRROYDVDBLNG-SSDOTTSWSA-N 1 0 240.225 0.025 10 0 BCAERO CO[C@H]1C[NH2+]C[C@H]1N1C(=O)c2ccccc2C1=O ZINC000041158003 374116175 /nfs/dbraw/zinc/11/61/75/374116175.db2.gz TXYBAEXZDPFQPW-MNOVXSKESA-N 1 0 246.266 0.269 10 0 BCAERO CCCCNC(=O)[C@@H](C)[NH2+]CC(=O)NC1CC1 ZINC000035207187 168855920 /nfs/dbraw/zinc/85/59/20/168855920.db2.gz BKAVCZJNDDCIAI-SECBINFHSA-N 1 0 241.335 0.159 10 0 BCAERO O=C(NC[C@@H]1CCCCO1)[C@H]1CCC[NH2+]C1 ZINC000042823403 182225420 /nfs/dbraw/zinc/22/54/20/182225420.db2.gz SXPJEQDTHURTOM-QWRGUYRKSA-N 1 0 226.320 0.671 10 0 BCAERO O=C(NC[C@H]1CC[NH2+]C1)c1ccc(F)cn1 ZINC000130016509 182242853 /nfs/dbraw/zinc/24/28/53/182242853.db2.gz WDBNYOCCUXLXIB-QMMMGPOBSA-N 1 0 223.251 0.560 10 0 BCAERO CC(C)C[C@H]1CC[C@@H](S(N)(=O)=O)C[NH2+]1 ZINC000070632421 374168145 /nfs/dbraw/zinc/16/81/45/374168145.db2.gz ZDBHAWHIYSVOIS-RKDXNWHRSA-N 1 0 220.338 0.442 10 0 BCAERO CC(C)C[C@H]1CC[C@H](S(N)(=O)=O)C[NH2+]1 ZINC000070632418 374168231 /nfs/dbraw/zinc/16/82/31/374168231.db2.gz ZDBHAWHIYSVOIS-BDAKNGLRSA-N 1 0 220.338 0.442 10 0 BCAERO O=C(NC[C@H]1CCC[NH2+]C1)c1cn[nH]c1 ZINC000044501595 182237498 /nfs/dbraw/zinc/23/74/98/182237498.db2.gz DMBINAHTRMOEJT-QMMMGPOBSA-N 1 0 208.265 0.139 10 0 BCAERO O=C(NC[C@H]1CCC[NH2+]1)c1ccc(O)cc1 ZINC000053253774 182237850 /nfs/dbraw/zinc/23/78/50/182237850.db2.gz KPGZWZUDJQIJHA-SNVBAGLBSA-N 1 0 220.272 0.874 10 0 BCAERO CS(=O)(=O)c1ccc2c(c1)CC[NH2+]C2 ZINC000143488072 374190130 /nfs/dbraw/zinc/19/01/30/374190130.db2.gz JBFXSHFEIFCSCG-UHFFFAOYSA-N 1 0 211.286 0.736 10 0 BCAERO O=S1CCC([NH2+]C[C@H]2CCCO2)CC1 ZINC000042335800 374262658 /nfs/dbraw/zinc/26/26/58/374262658.db2.gz GXMVSOJYZBPHLS-OPASDULOSA-N 1 0 217.334 0.666 10 0 BCAERO Cc1nnc(SC[C@@H]2CCC[NH2+]2)n1C ZINC000071110072 374247959 /nfs/dbraw/zinc/24/79/59/374247959.db2.gz ISZQGIDXNWRYQU-QMMMGPOBSA-N 1 0 212.322 0.968 10 0 BCAERO O=C(NCc1nc2ccccc2[nH]1)[C@H]1CC[NH2+]C1 ZINC000238095283 182272382 /nfs/dbraw/zinc/27/23/82/182272382.db2.gz IRRDQIDHPGRREI-VIFPVBQESA-N 1 0 244.298 0.789 10 0 BCAERO O=C(N[C@@H]1CCCC[C@@H]1O)C1CC[NH2+]CC1 ZINC000052009456 182292041 /nfs/dbraw/zinc/29/20/41/182292041.db2.gz NVJXMKWNKVEMQK-MNOVXSKESA-N 1 0 226.320 0.406 10 0 BCAERO O=C(N[C@@H]1CCC[C@@H](O)C1)C1CC[NH2+]CC1 ZINC000037000946 182298048 /nfs/dbraw/zinc/29/80/48/182298048.db2.gz SEOGYMBCHHOXHZ-GHMZBOCLSA-N 1 0 226.320 0.406 10 0 BCAERO O=C(Nc1c(F)cccc1F)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000020476396 182346543 /nfs/dbraw/zinc/34/65/43/182346543.db2.gz ARZGJAXABMGKBO-RCOVLWMOSA-N 1 0 242.225 0.626 10 0 BCAERO O=C(Nc1ccccc1CO)[C@H]1CCC[NH2+]1 ZINC000037040641 182377812 /nfs/dbraw/zinc/37/78/12/182377812.db2.gz KFQWAPRUVVAEQO-LLVKDONJSA-N 1 0 220.272 0.869 10 0 BCAERO CCOC(=O)[C@@H](CC)N1CC[NH2+]C[C@@H]1C ZINC000077004729 170250367 /nfs/dbraw/zinc/25/03/67/170250367.db2.gz MBVRDYAUDBUAGP-VHSXEESVSA-N 1 0 214.309 0.622 10 0 BCAERO CCOC(=O)[C@@H](N)CC[N@@H+]1CCC[C@@H]1C ZINC000062436182 170252565 /nfs/dbraw/zinc/25/25/65/170252565.db2.gz MSXURXULGXXMBV-UWVGGRQHSA-N 1 0 214.309 0.751 10 0 BCAERO O=C(Nc1ccc2c(c1)C(=O)NC2)[C@@H]1CCC[NH2+]1 ZINC000070810773 182815759 /nfs/dbraw/zinc/81/57/59/182815759.db2.gz WBHAKHDDLKYFBM-NSHDSACASA-N 1 0 245.282 0.621 10 0 BCAERO CCOC(=O)[C@H](N)C[N@H+](C)CC(C)C ZINC000045380706 170274814 /nfs/dbraw/zinc/27/48/14/170274814.db2.gz QMAVQLVXDOZABT-SECBINFHSA-N 1 0 202.298 0.465 10 0 BCAERO O=C1NCCCC[C@H]1[NH2+]CCN1CCCCC1 ZINC000049575191 182799673 /nfs/dbraw/zinc/79/96/73/182799673.db2.gz JMKQWCVUODDMHO-GFCCVEGCSA-N 1 0 239.363 0.731 10 0 BCAERO O=C1[C@@H]2CC=CC[C@@H]2C(=O)N1CC[C@@H]1CC[NH2+]C1 ZINC000104365822 182841113 /nfs/dbraw/zinc/84/11/13/182841113.db2.gz JWELQEITNWEBEN-SDDRHHMPSA-N 1 0 248.326 0.937 10 0 BCAERO O=S(=O)(Cc1ccccn1)C[C@@H]1CC[NH2+]C1 ZINC000095073249 182890913 /nfs/dbraw/zinc/89/09/13/182890913.db2.gz MDQJULYGMRGISO-SNVBAGLBSA-N 1 0 240.328 0.606 10 0 BCAERO O=S(=O)(N[C@H]1CCC[NH2+]C1)C1CCCCC1 ZINC000038137161 182900547 /nfs/dbraw/zinc/90/05/47/182900547.db2.gz ZCIDNLNIOAUPAM-JTQLQIEISA-N 1 0 246.376 0.991 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N[C@H]1CCSC1 ZINC000225491228 259586724 /nfs/dbraw/zinc/58/67/24/259586724.db2.gz LTKPNJAXLXMPAN-YUMQZZPRSA-N 1 0 202.323 0.736 10 0 BCAERO O=S(=O)(c1ccncc1)[C@@H]1CCC[NH2+]C1 ZINC000095073053 182905236 /nfs/dbraw/zinc/90/52/36/182905236.db2.gz SZTRRGOJJIJEFG-SNVBAGLBSA-N 1 0 226.301 0.607 10 0 BCAERO O=S1(=O)CC[C@@H](C[NH2+][C@@H]2CCSC2)C1 ZINC000038082560 182911973 /nfs/dbraw/zinc/91/19/73/182911973.db2.gz XTPFLHCDNSLSIV-DTWKUNHWSA-N 1 0 235.374 0.516 10 0 BCAERO O=S1(=O)CC[C@H](OCC2CC[NH2+]CC2)C1 ZINC000051815111 182913783 /nfs/dbraw/zinc/91/37/83/182913783.db2.gz MWMCTZRYQOLFKW-JTQLQIEISA-N 1 0 233.333 0.190 10 0 BCAERO CCCCS(=O)(=O)N1CCCC[C@@H]1[NH3+] ZINC000019874219 168923463 /nfs/dbraw/zinc/92/34/63/168923463.db2.gz ACFVZHDQNSBCNY-SECBINFHSA-N 1 0 220.338 0.887 10 0 BCAERO CCOCCC[NH2+][C@H]1CCCCNC1=O ZINC000020055043 170383303 /nfs/dbraw/zinc/38/33/03/170383303.db2.gz IKPUENHLBSDFLK-JTQLQIEISA-N 1 0 214.309 0.671 10 0 BCAERO O=[S@@](CC1CC[NH2+]CC1)c1cnccn1 ZINC000095073714 182961460 /nfs/dbraw/zinc/96/14/60/182961460.db2.gz XXLYACBBGPQMMH-OAHLLOKOSA-N 1 0 225.317 0.584 10 0 BCAERO O=[S@@](Cc1cncs1)[C@H]1CC[NH2+]C1 ZINC000095073457 182963254 /nfs/dbraw/zinc/96/32/54/182963254.db2.gz ZAPRZBMKQRHHHJ-ISVAXAHUSA-N 1 0 216.331 0.754 10 0 BCAERO O=c1ccn(CC[C@@H]2CCCC[NH2+]2)c(=O)[nH]1 ZINC000043499088 183003563 /nfs/dbraw/zinc/00/35/63/183003563.db2.gz OJKJCXXJIFAICI-VIFPVBQESA-N 1 0 223.276 0.069 10 0 BCAERO O=c1n(C[C@@H]2CCC[NH2+]C2)nc2n1CCCC2 ZINC000061817596 183007949 /nfs/dbraw/zinc/00/79/49/183007949.db2.gz HTMHFXAOFWEHTP-SNVBAGLBSA-N 1 0 236.319 0.381 10 0 BCAERO CCCC[C@@H]([NH3+])C(=O)N1CCCC[C@@H]1C(N)=O ZINC000037996516 168966767 /nfs/dbraw/zinc/96/67/67/168966767.db2.gz OHZZMIKYCKFETQ-NXEZZACHSA-N 1 0 241.335 0.370 10 0 BCAERO OCC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000037693591 183040876 /nfs/dbraw/zinc/04/08/76/183040876.db2.gz KSXKDTIUPQWJSQ-NEPJUHHUSA-N 1 0 213.321 0.994 10 0 BCAERO OCC(CO)[NH2+][C@H]1CCc2ccccc21 ZINC000083690604 183032984 /nfs/dbraw/zinc/03/29/84/183032984.db2.gz PJEJWARSTYGENB-LBPRGKRZSA-N 1 0 207.273 0.617 10 0 BCAERO OCC(CO)[NH2+]C1Cc2ccccc2C1 ZINC000083691251 183033996 /nfs/dbraw/zinc/03/39/96/183033996.db2.gz YOUHITCLCLUYGF-UHFFFAOYSA-N 1 0 207.273 0.097 10 0 BCAERO O=c1[nH]cnc2c(C[NH2+]CCCCO)c[nH]c21 ZINC000040833698 183050201 /nfs/dbraw/zinc/05/02/01/183050201.db2.gz MSCWSDJZNTUVBG-UHFFFAOYSA-N 1 0 236.275 0.526 10 0 BCAERO OCCOCC[NH2+]CC[C@@H](O)c1ccccc1 ZINC000076746420 183085250 /nfs/dbraw/zinc/08/52/50/183085250.db2.gz ZRRKNNJXXTZKGM-CYBMUJFWSA-N 1 0 239.315 0.709 10 0 BCAERO OCC[C@@H]1CCCCN1[C@@H]1CCC[NH2+]C1 ZINC000082741770 183092769 /nfs/dbraw/zinc/09/27/69/183092769.db2.gz WIRWLBABRMOHJN-NWDGAFQWSA-N 1 0 212.337 0.975 10 0 BCAERO OCC[C@@H]1CC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000226438478 183095269 /nfs/dbraw/zinc/09/52/69/183095269.db2.gz KNYRZUGNPOQOBZ-NWDGAFQWSA-N 1 0 212.337 0.690 10 0 BCAERO CCCC[C@H]([NH3+])C(=O)N1CCC[C@@H](O)C1 ZINC000037654983 169005488 /nfs/dbraw/zinc/00/54/88/169005488.db2.gz IPGITOKPMHORIC-ZJUUUORDSA-N 1 0 214.309 0.487 10 0 BCAERO CCCC[C@H]([NH3+])C(=O)N1CCNC(=O)[C@@H]1CC ZINC000104126955 169005749 /nfs/dbraw/zinc/00/57/49/169005749.db2.gz PZGPQDVMAVPWBS-UWVGGRQHSA-N 1 0 241.335 0.241 10 0 BCAERO CCCC[C@H]([NH3+])C(=O)N1CCS(=O)CC1 ZINC000049692799 169006471 /nfs/dbraw/zinc/00/64/71/169006471.db2.gz RCOLLEUAESZKCB-VIFPVBQESA-N 1 0 232.349 0.095 10 0 BCAERO CCCC[C@H]([NH3+])[C@@H](O)C(=O)NC1CC1 ZINC000095938246 169009313 /nfs/dbraw/zinc/00/93/13/169009313.db2.gz UEWOYZVFQJKJOL-DTWKUNHWSA-N 1 0 200.282 0.143 10 0 BCAERO OC[C@@H](O)C[NH2+]Cc1cc(F)c(F)cc1F ZINC000083361781 183110422 /nfs/dbraw/zinc/11/04/22/183110422.db2.gz YLLJDSBGGZIDIT-ZETCQYMHSA-N 1 0 235.205 0.547 10 0 BCAERO OC[C@@H](O)C[NH2+][C@@H]1CCc2ccccc2C1 ZINC000051631741 183111132 /nfs/dbraw/zinc/11/11/32/183111132.db2.gz OQSDINOIKUKBFG-OLZOCXBDSA-N 1 0 221.300 0.487 10 0 BCAERO OC[C@@]1(C[NH+]2CCN(C3CC3)CC2)CCOC1 ZINC000051296046 183135107 /nfs/dbraw/zinc/13/51/07/183135107.db2.gz KCTKGGYIDRYVQM-ZDUSSCGKSA-N 1 0 240.347 0.165 10 0 BCAERO OC[C@H]([NH2+]C[C@@H]1COCCO1)c1ccccc1 ZINC000353351995 183140205 /nfs/dbraw/zinc/14/02/05/183140205.db2.gz VUHDGOCDHXVJDE-OLZOCXBDSA-N 1 0 237.299 0.725 10 0 BCAERO OC[C@H](O)C[NH2+]Cc1cc(F)c(F)cc1F ZINC000083361782 183142367 /nfs/dbraw/zinc/14/23/67/183142367.db2.gz YLLJDSBGGZIDIT-SSDOTTSWSA-N 1 0 235.205 0.547 10 0 BCAERO CCCN(C(=O)N1CC[NH2+]CC1)C1CC1 ZINC000037097073 169043650 /nfs/dbraw/zinc/04/36/50/169043650.db2.gz HAJRLHFFIHCXRP-UHFFFAOYSA-N 1 0 211.309 0.886 10 0 BCAERO OC[C@H](c1ccccc1F)N1CC[NH2+]CC1 ZINC000038120867 183144823 /nfs/dbraw/zinc/14/48/23/183144823.db2.gz NUFHBZVPGHKKJD-GFCCVEGCSA-N 1 0 224.279 0.764 10 0 BCAERO CCCN(C(=O)[C@H](C)N1CC[NH2+]CC1)C(C)C ZINC000037096537 169044496 /nfs/dbraw/zinc/04/44/96/169044496.db2.gz KLMSNUDGILRFCA-LBPRGKRZSA-N 1 0 241.379 0.927 10 0 BCAERO CCCN(C)C(=O)[C@H](C)N1CC[NH2+]CC1 ZINC000037098782 169058724 /nfs/dbraw/zinc/05/87/24/169058724.db2.gz WPYBPKMWPXFHCP-JTQLQIEISA-N 1 0 213.325 0.149 10 0 BCAERO O[C@@H]1CCCC[C@@H]1[N@@H+]1CC[C@H](c2nnc[nH]2)C1 ZINC000333748245 183189604 /nfs/dbraw/zinc/18/96/04/183189604.db2.gz NHOIOTWKWUMZDR-GARJFASQSA-N 1 0 236.319 0.898 10 0 BCAERO CCCN(CC(=O)OC)C(=O)CC[NH2+]C(C)C ZINC000037813085 169100705 /nfs/dbraw/zinc/10/07/05/169100705.db2.gz ICMALCLLXWFDNI-UHFFFAOYSA-N 1 0 244.335 0.786 10 0 BCAERO O[C@H](CN1CCOCC1)C[N@@H+]1C[C@H]2CCC[C@H]21 ZINC000336708757 183221506 /nfs/dbraw/zinc/22/15/06/183221506.db2.gz JDKHOFXQNQHSSY-JHJVBQTASA-N 1 0 240.347 0.164 10 0 BCAERO O[C@H](C[NH2+]CC1CCOCC1)COCC1CC1 ZINC000107064441 183223066 /nfs/dbraw/zinc/22/30/66/183223066.db2.gz LMEXJZICTBTUDC-CYBMUJFWSA-N 1 0 243.347 0.790 10 0 BCAERO CCCN(CC(=O)OC)C(=O)C1CC[NH2+]CC1 ZINC000037813022 169100925 /nfs/dbraw/zinc/10/09/25/169100925.db2.gz HFVPRNJMKANEIW-UHFFFAOYSA-N 1 0 242.319 0.398 10 0 BCAERO CCCN(CC(=O)N(C)C(C)C)[C@H]1CC[NH2+]C1 ZINC000071330837 169091602 /nfs/dbraw/zinc/09/16/02/169091602.db2.gz WSICEFWQKGGBHZ-LBPRGKRZSA-N 1 0 241.379 0.927 10 0 BCAERO O[C@@H]1COC[C@H]1[NH2+]CCc1ccsc1 ZINC000049180567 183209716 /nfs/dbraw/zinc/20/97/16/183209716.db2.gz JJOADLHWLXOPPC-NXEZZACHSA-N 1 0 213.302 0.640 10 0 BCAERO O[C@@H]1COC[C@H]1[NH2+]CCc1cccc(F)c1 ZINC000037891894 183209743 /nfs/dbraw/zinc/20/97/43/183209743.db2.gz ZRUIVETWCXTEHG-VXGBXAGGSA-N 1 0 225.263 0.718 10 0 BCAERO O[C@@]1(C[NH2+][C@H]2COc3ccccc3C2)CCOC1 ZINC000328119725 183216484 /nfs/dbraw/zinc/21/64/84/183216484.db2.gz KWYQAOALYMUUSM-TZMCWYRMSA-N 1 0 249.310 0.731 10 0 BCAERO O[C@H]1C[NH2+][C@H](Cn2cc(-c3ccccc3)nn2)C1 ZINC000090614984 183245099 /nfs/dbraw/zinc/24/50/99/183245099.db2.gz WTGNUMGCJUTLEJ-NWDGAFQWSA-N 1 0 244.298 0.668 10 0 BCAERO O[C@H]1C[NH2+]CCN(Cc2ccccc2)C1 ZINC000083286313 183245812 /nfs/dbraw/zinc/24/58/12/183245812.db2.gz ZXWGHKDWHJBPTJ-LBPRGKRZSA-N 1 0 206.289 0.453 10 0 BCAERO O[C@H]1COC[C@H]1[NH2+]CCc1cccc(F)c1 ZINC000037891892 183246219 /nfs/dbraw/zinc/24/62/19/183246219.db2.gz ZRUIVETWCXTEHG-NEPJUHHUSA-N 1 0 225.263 0.718 10 0 BCAERO O[C@H]1COC[C@H]1[NH2+]CCc1ccccc1 ZINC000037878382 183246521 /nfs/dbraw/zinc/24/65/21/183246521.db2.gz ZGAJKKGINOTABQ-NEPJUHHUSA-N 1 0 207.273 0.578 10 0 BCAERO O[C@H]1COC[C@H]1[NH2+]CCc1ccsc1 ZINC000049180564 183246692 /nfs/dbraw/zinc/24/66/92/183246692.db2.gz JJOADLHWLXOPPC-ZJUUUORDSA-N 1 0 213.302 0.640 10 0 BCAERO O[C@]1(CSc2ccncc2)CC[NH2+]C1 ZINC000033359086 183252193 /nfs/dbraw/zinc/25/21/93/183252193.db2.gz RVCVGUAWTJFZII-SNVBAGLBSA-N 1 0 210.302 0.898 10 0 BCAERO O[C@H]1CCC[C@H]([NH2+]Cc2cncnc2)C1 ZINC000054767863 183236570 /nfs/dbraw/zinc/23/65/70/183236570.db2.gz FQIVXENBLKVOBO-QWRGUYRKSA-N 1 0 207.277 0.870 10 0 BCAERO CCCN(CCC)C(=O)[C@@H](C)N1CC[NH2+]CC1 ZINC000019977228 169142650 /nfs/dbraw/zinc/14/26/50/169142650.db2.gz IQPWDVJQEFABBI-GFCCVEGCSA-N 1 0 241.379 0.929 10 0 BCAERO Oc1cc(O)cc(CN2CC[NH2+]CC2)c1 ZINC000095616804 183261245 /nfs/dbraw/zinc/26/12/45/183261245.db2.gz IBFGLRFUHZDVLO-UHFFFAOYSA-N 1 0 208.261 0.503 10 0 BCAERO CCC[NH+](CCC)CC(=O)N1NC(=O)C[C@H]1C ZINC000096328078 169147981 /nfs/dbraw/zinc/14/79/81/169147981.db2.gz ZNQQPBBXFGKZML-SNVBAGLBSA-N 1 0 241.335 0.760 10 0 BCAERO O=c1ccnc(SC[C@@H]2CC[NH2+]C2)[nH]1 ZINC000051890967 183305857 /nfs/dbraw/zinc/30/58/57/183305857.db2.gz YEKXTTAVQWUVFH-SSDOTTSWSA-N 1 0 211.290 0.884 10 0 BCAERO CCCN1C(=O)C[C@@H]([NH2+]C2CCC2)C1=O ZINC000105195886 169184430 /nfs/dbraw/zinc/18/44/30/169184430.db2.gz WEGNMGKVEOBPEC-SECBINFHSA-N 1 0 210.277 0.666 10 0 BCAERO CCC[N@@H+]1CCC[C@H]([C@@H](C)NCC(=O)NC)C1 ZINC000037224634 169198412 /nfs/dbraw/zinc/19/84/12/169198412.db2.gz UWDMMAQDASMQHQ-NEPJUHHUSA-N 1 0 241.379 0.833 10 0 BCAERO CCCN1CCN(C(=O)C(C)(C)[NH2+]C)CC1 ZINC000061300249 169201047 /nfs/dbraw/zinc/20/10/47/169201047.db2.gz QIBKBNOUZCLLSE-UHFFFAOYSA-N 1 0 227.352 0.539 10 0 BCAERO CCCN1CCN(C(=O)[C@H](C)[NH2+]C)CC1 ZINC000054071724 169201159 /nfs/dbraw/zinc/20/11/59/169201159.db2.gz UDDFEJBTKTVRBS-JTQLQIEISA-N 1 0 213.325 0.149 10 0 BCAERO CCCNC(=O)CNC(=O)[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000036781289 169224990 /nfs/dbraw/zinc/22/49/90/169224990.db2.gz UANYMOOKPBDCMB-NXEZZACHSA-N 1 0 241.335 0.017 10 0 BCAERO CCCNC(=O)C[NH2+]C[C@@H]1CCCOC1 ZINC000038045988 169225731 /nfs/dbraw/zinc/22/57/31/169225731.db2.gz YCTPHEJSQJUWBG-JTQLQIEISA-N 1 0 214.309 0.529 10 0 BCAERO CCCNC(=O)C[NH2+]C[C@@H](O)COC(C)(C)C ZINC000037892101 169225885 /nfs/dbraw/zinc/22/58/85/169225885.db2.gz WWOFNVBAEZDPQM-SNVBAGLBSA-N 1 0 246.351 0.278 10 0 BCAERO c1cc(CN2CC[N@@H+]3CCC[C@H]3C2)on1 ZINC000300371654 183344702 /nfs/dbraw/zinc/34/47/02/183344702.db2.gz MXEJQFUHEDAXHC-JTQLQIEISA-N 1 0 207.277 0.955 10 0 BCAERO CCCNC(=O)CCNC(=O)[C@H]1CCC[NH2+]C1 ZINC000045088565 169217364 /nfs/dbraw/zinc/21/73/64/169217364.db2.gz WWMUWBSKSJSGQY-JTQLQIEISA-N 1 0 241.335 0.019 10 0 BCAERO CCC[NH2+]CC(=O)N1CCCOCC1 ZINC000061920501 169256055 /nfs/dbraw/zinc/25/60/55/169256055.db2.gz CZYQJQUTLLXMPU-UHFFFAOYSA-N 1 0 200.282 0.235 10 0 BCAERO CCC[NH2+]CCNc1ccnc(C(N)=O)c1 ZINC000054267416 169260040 /nfs/dbraw/zinc/26/00/40/169260040.db2.gz KCCYXNLBBZABSZ-UHFFFAOYSA-N 1 0 222.292 0.592 10 0 BCAERO CCCNC(=O)N1CCCN(CCC[NH3+])CC1 ZINC000037038046 169234641 /nfs/dbraw/zinc/23/46/41/169234641.db2.gz CHUJOEHRKGOMAL-UHFFFAOYSA-N 1 0 242.367 0.463 10 0 BCAERO CCC[NH2+]C[C@@H]1CCCN([C@@H](C)C(=O)NC)C1 ZINC000104415936 169262555 /nfs/dbraw/zinc/26/25/55/169262555.db2.gz HNUUQFNPSCTNAO-RYUDHWBXSA-N 1 0 241.379 0.833 10 0 BCAERO CCCNC(=O)[C@@H](C)N1CC[NH2+]C[C@@H]1C ZINC000054374378 169241195 /nfs/dbraw/zinc/24/11/95/169241195.db2.gz MGAYFBPYSFCFEI-VHSXEESVSA-N 1 0 213.325 0.195 10 0 BCAERO CCCNC(=O)[C@@H](C)[NH2+][C@@H](C)COC ZINC000034937688 169242889 /nfs/dbraw/zinc/24/28/89/169242889.db2.gz JREWFMLGVHCSTN-DTWKUNHWSA-N 1 0 202.298 0.526 10 0 BCAERO CCC[NH2+]C[C@@H]1CCCCN1CCC(=O)NC ZINC000104429706 169262673 /nfs/dbraw/zinc/26/26/73/169262673.db2.gz CVDXWZTYJOXNGP-LBPRGKRZSA-N 1 0 241.379 0.977 10 0 BCAERO c1nnc(C[C@H]2COCC[NH2+]2)n1-c1ccccc1 ZINC000076167553 183387000 /nfs/dbraw/zinc/38/70/00/183387000.db2.gz LGWUNHGETWIERI-NSHDSACASA-N 1 0 244.298 0.798 10 0 BCAERO CCCN[C@H](C[N@@H+]1CCC[C@H](C)CC1)C(N)=O ZINC000104352123 169288903 /nfs/dbraw/zinc/28/89/03/169288903.db2.gz PUMPEHFEJGPBCQ-NWDGAFQWSA-N 1 0 241.379 0.962 10 0 BCAERO CCC[NH2+]Cc1cn(CCOCCOC)nn1 ZINC000052628251 169269184 /nfs/dbraw/zinc/26/91/84/169269184.db2.gz NKVWNMVHAFPOKL-UHFFFAOYSA-N 1 0 242.323 0.441 10 0 BCAERO CCCN[C@@H](C[N@@H+]1CCC[C@H](C)CC1)C(N)=O ZINC000104352118 169278941 /nfs/dbraw/zinc/27/89/41/169278941.db2.gz PUMPEHFEJGPBCQ-RYUDHWBXSA-N 1 0 241.379 0.962 10 0 BCAERO CCC[NH2+][C@@H](COCC1CCOCC1)C(N)=O ZINC000052170281 169279736 /nfs/dbraw/zinc/27/97/36/169279736.db2.gz DFHBPVMKMGVXOA-NSHDSACASA-N 1 0 244.335 0.283 10 0 BCAERO CCC[NH2+][C@@H]1CCN(C[C@H]2COCCO2)C1=O ZINC000049648899 169282239 /nfs/dbraw/zinc/28/22/39/169282239.db2.gz FKFAAYSMKRGYJF-WDEREUQCSA-N 1 0 242.319 0.002 10 0 BCAERO CCCOCC(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000226270059 169306835 /nfs/dbraw/zinc/30/68/35/169306835.db2.gz WVOGJTDONGLVDW-NXEZZACHSA-N 1 0 214.309 0.657 10 0 BCAERO CCCOCC(=O)N[C@H]1CCC[NH2+][C@@H]1C ZINC000193533721 169306908 /nfs/dbraw/zinc/30/69/08/169306908.db2.gz BETYOTVGOSQVIN-ZJUUUORDSA-N 1 0 214.309 0.670 10 0 BCAERO CCCO[C@@H](C)C(=O)N1CC[NH2+]CC1 ZINC000037025520 169310930 /nfs/dbraw/zinc/31/09/30/169310930.db2.gz YSXWEOHIECRCAX-VIFPVBQESA-N 1 0 200.282 0.233 10 0 BCAERO CCCO[C@H]1CCCN([C@@H]2COCC[C@@H]2[NH3+])C1 ZINC000042421915 169312694 /nfs/dbraw/zinc/31/26/94/169312694.db2.gz HYZKLDJNBHAFCZ-RWMBFGLXSA-N 1 0 242.363 0.994 10 0 BCAERO CCC[NH2+][C@H]1CCN(c2cnn(C)c2)C1=O ZINC000049648188 169291685 /nfs/dbraw/zinc/29/16/85/169291685.db2.gz PPRJGPNAKDLNGI-JTQLQIEISA-N 1 0 222.292 0.525 10 0 BCAERO c1ccc2[nH]c(NC[C@@H]3C[NH2+]CCO3)nc2c1 ZINC000134265285 183435988 /nfs/dbraw/zinc/43/59/88/183435988.db2.gz WHHRXUDPARNGNE-VIFPVBQESA-N 1 0 232.287 0.963 10 0 BCAERO CCC[NH2+][C@](C)(CN1CCCCC1)C(N)=O ZINC000045229971 169293546 /nfs/dbraw/zinc/29/35/46/169293546.db2.gz UYAWXJTWWRMXLC-GFCCVEGCSA-N 1 0 227.352 0.716 10 0 BCAERO CCCOc1ccc(CNC(=O)C[NH2+]C)cn1 ZINC000193129905 169318453 /nfs/dbraw/zinc/31/84/53/169318453.db2.gz ROKWGGFOPRVMAN-UHFFFAOYSA-N 1 0 237.303 0.706 10 0 BCAERO CCCS(=O)(=O)N(C)[C@@H]1CCC[NH2+]C1 ZINC000037470055 169329529 /nfs/dbraw/zinc/32/95/29/169329529.db2.gz YUWRCTPSKPDHNV-SECBINFHSA-N 1 0 220.338 0.410 10 0 BCAERO CCCS(=O)(=O)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000104747619 169329984 /nfs/dbraw/zinc/32/99/84/169329984.db2.gz FOHVXCPIGNGVDT-SNVBAGLBSA-N 1 0 234.365 0.610 10 0 BCAERO CCCS(=O)(=O)N(CC[NH3+])C(C)(C)C ZINC000020183468 169330654 /nfs/dbraw/zinc/33/06/54/169330654.db2.gz ZQTRPZSNVLZFRS-UHFFFAOYSA-N 1 0 222.354 0.785 10 0 BCAERO c1cnc2c(c1)nccc2N[C@@H]1CC[NH2+]C1 ZINC000341018694 183484513 /nfs/dbraw/zinc/48/45/13/183484513.db2.gz SABYBXIIZUHSQY-SECBINFHSA-N 1 0 214.272 0.826 10 0 BCAERO c1cnc2c(c1)CC[C@@H]2N1CC[NH2+]CC1 ZINC000082380876 183485257 /nfs/dbraw/zinc/48/52/57/183485257.db2.gz FTLAUZVNTYYVMD-NSHDSACASA-N 1 0 203.289 0.974 10 0 BCAERO c1cnc2[nH]c(N3CCC[NH2+]CC3)nc2c1 ZINC000095068073 183486718 /nfs/dbraw/zinc/48/67/18/183486718.db2.gz SOGZXJZCVSCQEO-UHFFFAOYSA-N 1 0 217.276 0.758 10 0 BCAERO CCC[C@@H](C)N(C)C(=O)C(=O)N1CC[NH2+]CC1 ZINC000036791697 169361890 /nfs/dbraw/zinc/36/18/90/169361890.db2.gz GHJQGXTXPHNNMX-SNVBAGLBSA-N 1 0 241.335 0.065 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)N1CCOC(C)(C)C1 ZINC000036873453 169387926 /nfs/dbraw/zinc/38/79/26/169387926.db2.gz XEWMTJQVIZCWIC-SECBINFHSA-N 1 0 214.309 0.751 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)N1C[C@H](C(N)=O)CC[C@@H]1C ZINC000037821582 169387951 /nfs/dbraw/zinc/38/79/51/169387951.db2.gz XKMITCUNJUHGEZ-IVZWLZJFSA-N 1 0 241.335 0.226 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)N(C)C[C@@H](C)C(=O)OC ZINC000037823522 169386361 /nfs/dbraw/zinc/38/63/61/169386361.db2.gz VQHYGNDFSUSVFZ-RKDXNWHRSA-N 1 0 230.308 0.381 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)N(C)[C@@H]1CCOC1 ZINC000133813772 169386588 /nfs/dbraw/zinc/38/65/88/169386588.db2.gz GGCGNQVYMWTTEK-RKDXNWHRSA-N 1 0 200.282 0.361 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)N(C)CCCOC ZINC000062033637 169386904 /nfs/dbraw/zinc/38/69/04/169386904.db2.gz FHBPZIWIYYZNRF-SECBINFHSA-N 1 0 202.298 0.609 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)NCC[C@H](O)CC ZINC000157445874 169389444 /nfs/dbraw/zinc/38/94/44/169389444.db2.gz YZHBHPUDTLBZCN-RKDXNWHRSA-N 1 0 202.298 0.391 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)NC[C@@H](O)C(C)C ZINC000163246487 169389468 /nfs/dbraw/zinc/38/94/68/169389468.db2.gz WCYMSJCJCKWECD-RKDXNWHRSA-N 1 0 202.298 0.247 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)NCCC(=O)N[C@@H](C)CC ZINC000038014984 169388873 /nfs/dbraw/zinc/38/88/73/169388873.db2.gz IPRVXQVOKPDKOJ-VHSXEESVSA-N 1 0 243.351 0.535 10 0 BCAERO CCC[C@@H]([NH3+])CN1CCS(=O)CC1 ZINC000049692984 169393130 /nfs/dbraw/zinc/39/31/30/169393130.db2.gz KTZCYXREUIOHGW-SECBINFHSA-N 1 0 204.339 0.178 10 0 BCAERO CCC[C@@H]([NH3+])Cn1nc2n(c1=O)CCCC2 ZINC000061817453 169393217 /nfs/dbraw/zinc/39/32/17/169393217.db2.gz ZUAIHAVJKTWZKI-SECBINFHSA-N 1 0 224.308 0.509 10 0 BCAERO c1ncc(N2CCC[C@]23CC[NH2+]C3)cn1 ZINC000035784645 183546427 /nfs/dbraw/zinc/54/64/27/183546427.db2.gz JREYYHGJRQCLLH-LLVKDONJSA-N 1 0 204.277 0.809 10 0 BCAERO CC(C)(C)OC(=O)N1CCC(=O)[C@@]12CC[NH2+]C2 ZINC000082327717 166647360 /nfs/dbraw/zinc/64/73/60/166647360.db2.gz WRGHNCMUAYUJNE-LBPRGKRZSA-N 1 0 240.303 0.928 10 0 BCAERO CC(C)(C)OC(=O)N1CC[C@@H](O)[C@H](CC[NH3+])C1 ZINC000096985393 166651525 /nfs/dbraw/zinc/65/15/25/166651525.db2.gz NSDLEKGWNLQIBU-NXEZZACHSA-N 1 0 244.335 0.953 10 0 BCAERO CCC[C@H](C)NC(=O)C[NH2+][C@@H](C)C(=O)N(C)C ZINC000049288309 169491355 /nfs/dbraw/zinc/49/13/55/169491355.db2.gz HUESJHVSGHHJLV-UWVGGRQHSA-N 1 0 243.351 0.358 10 0 BCAERO CCC[C@H](CCO)CNC(=O)[C@@H]([NH3+])C(C)C ZINC000226680918 169497838 /nfs/dbraw/zinc/49/78/38/169497838.db2.gz IHHPEWMJXJPIFS-MNOVXSKESA-N 1 0 230.352 0.885 10 0 BCAERO CC(C)(C)OC(=O)NC[C@@H](O)CC[NH3+] ZINC000039093266 166662019 /nfs/dbraw/zinc/66/20/19/166662019.db2.gz GJAHMDCXXHDWSC-ZETCQYMHSA-N 1 0 204.270 0.221 10 0 BCAERO CC(C)(C)OC(=O)NC[C@H](O)CC[NH3+] ZINC000039093265 166663145 /nfs/dbraw/zinc/66/31/45/166663145.db2.gz GJAHMDCXXHDWSC-SSDOTTSWSA-N 1 0 204.270 0.221 10 0 BCAERO CO[C@H](C)CCC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000183397956 134350964 /nfs/dbraw/zinc/35/09/64/134350964.db2.gz VFBXVCQGXASAEQ-GHMZBOCLSA-N 1 0 228.336 0.964 10 0 BCAERO C[NH+](C)C[C@H]1CN(Cc2ncc[nH]2)CCO1 ZINC000111229584 383842695 /nfs/dbraw/zinc/84/26/95/383842695.db2.gz UDMHQABANRNTQU-JTQLQIEISA-N 1 0 224.308 0.172 10 0 BCAERO Nc1ncc(C[N@@H+]2CC[C@H](CCO)C2)s1 ZINC000163083934 383877758 /nfs/dbraw/zinc/87/77/58/383877758.db2.gz QBMGWIHKVGKLRW-MRVPVSSYSA-N 1 0 227.333 0.930 10 0 BCAERO C[NH+](C)C[C@@H](O)COc1ccccc1N ZINC000036670078 383904085 /nfs/dbraw/zinc/90/40/85/383904085.db2.gz FHXZQDADHSMNBE-SECBINFHSA-N 1 0 210.277 0.570 10 0 BCAERO CC(C)CCNC(=O)[C@H](C)N1C[C@H](C)[C@H]([NH3+])C1 ZINC000300047176 383906248 /nfs/dbraw/zinc/90/62/48/383906248.db2.gz CYOZMRFXGOTSJE-SDDRHHMPSA-N 1 0 241.379 0.816 10 0 BCAERO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CN(C)CCO2)CO1 ZINC000401772276 383979779 /nfs/dbraw/zinc/97/97/79/383979779.db2.gz AEHOOKPXBHJSLC-OUAUKWLOSA-N 1 0 214.309 0.084 10 0 BCAERO NC(=O)[C@@]1(O)CCC[N@H+](CC2=CCCC2)C1 ZINC000401138962 383982906 /nfs/dbraw/zinc/98/29/06/383982906.db2.gz FXEGWWJQIIDVRQ-GFCCVEGCSA-N 1 0 224.304 0.409 10 0 BCAERO O=C(NC1CCCCC1)[C@H]1C[NH2+]CCOC1 ZINC000643613669 383993596 /nfs/dbraw/zinc/99/35/96/383993596.db2.gz AUIONSUEUCWCDV-JTQLQIEISA-N 1 0 226.320 0.671 10 0 BCAERO CCCCCNC(=O)[C@H]1C[NH2+]CCOC1 ZINC000643614212 383993676 /nfs/dbraw/zinc/99/36/76/383993676.db2.gz NLFUFXNDWAHZEV-JTQLQIEISA-N 1 0 214.309 0.529 10 0 BCAERO COC[C@]1(C(=O)NCCC(C)C)CCC[NH2+]1 ZINC000643615310 384002940 /nfs/dbraw/zinc/00/29/40/384002940.db2.gz GKETYCXIVADZSD-LBPRGKRZSA-N 1 0 228.336 0.917 10 0 BCAERO CC[C@H](C)NC(=O)[C@@H]1C[NH2+]CCOC1 ZINC000643613774 383995133 /nfs/dbraw/zinc/99/51/33/383995133.db2.gz CKWKGYJVSDFZSY-DTWKUNHWSA-N 1 0 200.282 0.137 10 0 BCAERO O=C(Nc1ccccc1)[C@H]1C[NH2+]CCOC1 ZINC000643613997 383995271 /nfs/dbraw/zinc/99/52/71/383995271.db2.gz IHEFHXCWFZCFPD-JTQLQIEISA-N 1 0 220.272 0.861 10 0 BCAERO O=C(c1cncc(O)c1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000113684776 383999267 /nfs/dbraw/zinc/99/92/67/383999267.db2.gz GPTLQROPRPROPN-NSHDSACASA-N 1 0 247.298 0.707 10 0 BCAERO O=C(c1cncc(O)c1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000113684773 383999699 /nfs/dbraw/zinc/99/96/99/383999699.db2.gz GPTLQROPRPROPN-LLVKDONJSA-N 1 0 247.298 0.707 10 0 BCAERO CCN(CC)C(=O)[C@@]1(COC)CCC[NH2+]1 ZINC000643614897 384016611 /nfs/dbraw/zinc/01/66/11/384016611.db2.gz PATWIMSKAIUUDL-NSHDSACASA-N 1 0 214.309 0.623 10 0 BCAERO O=C(NCC1CCCCC1)[C@@H]1C[NH2+]CCOC1 ZINC000643615177 384017863 /nfs/dbraw/zinc/01/78/63/384017863.db2.gz DTXIWAUBPRKVBS-GFCCVEGCSA-N 1 0 240.347 0.919 10 0 BCAERO CCC[C@H](C)NC(=O)[C@@H]1C[NH2+]CCOC1 ZINC000643616291 384005647 /nfs/dbraw/zinc/00/56/47/384005647.db2.gz QIJYXLGSRQTVGP-VHSXEESVSA-N 1 0 214.309 0.527 10 0 BCAERO COC[C@@]1(C(=O)NCC(C)C)CCC[NH2+]1 ZINC000643615662 384006608 /nfs/dbraw/zinc/00/66/08/384006608.db2.gz UCAODPBVTRRFLJ-LLVKDONJSA-N 1 0 214.309 0.527 10 0 BCAERO CCC(CC)NC(=O)[C@@H]1C[NH2+]CCOC1 ZINC000643615972 384006812 /nfs/dbraw/zinc/00/68/12/384006812.db2.gz DFNSIQIBGGYVHE-SECBINFHSA-N 1 0 214.309 0.527 10 0 BCAERO CC(C)[C@H](C)NC(=O)[C@H]1C[NH2+]CCOC1 ZINC000643617765 384012600 /nfs/dbraw/zinc/01/26/00/384012600.db2.gz OLRGTQRGJRSTCE-UWVGGRQHSA-N 1 0 214.309 0.383 10 0 BCAERO C[NH+](C)C[C@@H]1CCN(Cc2ncc[nH]2)C1 ZINC000114479460 384039235 /nfs/dbraw/zinc/03/92/35/384039235.db2.gz VWNNGFAUIBLJSQ-JTQLQIEISA-N 1 0 208.309 0.793 10 0 BCAERO COC[C@]1(C(=O)NCCC2CC2)CCC[NH2+]1 ZINC000643704291 384087412 /nfs/dbraw/zinc/08/74/12/384087412.db2.gz OMGGHQFIKVCYQA-LBPRGKRZSA-N 1 0 226.320 0.671 10 0 BCAERO CC(C)C[C@H](C)NC(=O)[C@H]1C[NH2+]CCOC1 ZINC000643779585 384055439 /nfs/dbraw/zinc/05/54/39/384055439.db2.gz JQBRGEAMFLUANT-QWRGUYRKSA-N 1 0 228.336 0.773 10 0 BCAERO CC(C)C[C@@H](C)NC(=O)[C@@H]1C[NH2+]CCOC1 ZINC000643779583 384056721 /nfs/dbraw/zinc/05/67/21/384056721.db2.gz JQBRGEAMFLUANT-GHMZBOCLSA-N 1 0 228.336 0.773 10 0 BCAERO C[NH+](C)[C@@H]1CC[C@@H](NC(=O)N2CCOCC2)C1 ZINC000155944694 384060180 /nfs/dbraw/zinc/06/01/80/384060180.db2.gz ZGNXYXSRFXRDNR-GHMZBOCLSA-N 1 0 241.335 0.511 10 0 BCAERO C[NH+](C)[C@H]1CCN(C(=O)c2ccc(F)nc2)C1 ZINC000070084215 384077475 /nfs/dbraw/zinc/07/74/75/384077475.db2.gz IHKVXBSFCGHENC-JTQLQIEISA-N 1 0 237.278 0.997 10 0 BCAERO O=C(NCCC1CC1)[C@H]1C[NH2+]CCOC1 ZINC000643704576 384095846 /nfs/dbraw/zinc/09/58/46/384095846.db2.gz VMJMATDIQFLMOO-JTQLQIEISA-N 1 0 212.293 0.139 10 0 BCAERO O=C(NC[C@H]1CCCS1)[C@H]1C[NH2+]CCOC1 ZINC000643704891 384110944 /nfs/dbraw/zinc/11/09/44/384110944.db2.gz CQHSFQHEDOUAHZ-VHSXEESVSA-N 1 0 244.360 0.234 10 0 BCAERO COC[C@]1(C(=O)N[C@H]2CCSC2)CCC[NH2+]1 ZINC000643705375 384111118 /nfs/dbraw/zinc/11/11/18/384111118.db2.gz PPJNLXHDHRIARQ-ONGXEEELSA-N 1 0 244.360 0.377 10 0 BCAERO COC[C@]1(C(=O)N2C[C@H](C)[C@@H](C)C2)CCC[NH2+]1 ZINC000643706169 384126408 /nfs/dbraw/zinc/12/64/08/384126408.db2.gz NVVZBBUCNZIFML-GVXVVHGQSA-N 1 0 240.347 0.869 10 0 BCAERO C[NH+](C)C[C@@H]1CN(C(=O)c2ccoc2)CCO1 ZINC000116796089 384155556 /nfs/dbraw/zinc/15/55/56/384155556.db2.gz VXEAHNDVFUKLSX-LLVKDONJSA-N 1 0 238.287 0.682 10 0 BCAERO CCCC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000116792414 384156044 /nfs/dbraw/zinc/15/60/44/384156044.db2.gz NUQNTYHPEVYYQI-SNVBAGLBSA-N 1 0 214.309 0.576 10 0 BCAERO C[C@H]1OCC[C@@]1(O)C[NH2+]CC1CCOCC1 ZINC000227968890 134395301 /nfs/dbraw/zinc/39/53/01/134395301.db2.gz DIMGKDBYSCFRCF-ZYHUDNBSSA-N 1 0 229.320 0.543 10 0 BCAERO O=C(NC(C1CC1)C1CC1)[C@H]1C[NH2+]CCOC1 ZINC000643626198 384160932 /nfs/dbraw/zinc/16/09/32/384160932.db2.gz MHSLCSRRJRUCQN-NSHDSACASA-N 1 0 238.331 0.527 10 0 BCAERO C[C@@H]1OCC[C@]1(O)C[NH2+]CC1CCOCC1 ZINC000227968900 134395556 /nfs/dbraw/zinc/39/55/56/134395556.db2.gz DIMGKDBYSCFRCF-JQWIXIFHSA-N 1 0 229.320 0.543 10 0 BCAERO COCCC1(C(=O)NCC2CC2)CC[NH2+]CC1 ZINC000643626609 384164175 /nfs/dbraw/zinc/16/41/75/384164175.db2.gz KTYUFJMKHRSLCR-UHFFFAOYSA-N 1 0 240.347 0.919 10 0 BCAERO Cn1ccs/c1=N\C(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000163227119 384180948 /nfs/dbraw/zinc/18/09/48/384180948.db2.gz LQEPMYMRJMEGMR-YDHDDKBESA-N 1 0 225.317 0.641 10 0 BCAERO CC[C@@H](CCO)NC(=O)[C@@H]([NH3+])C(C)C ZINC000163261645 384201324 /nfs/dbraw/zinc/20/13/24/384201324.db2.gz BDOWGAFXDYHIKU-IUCAKERBSA-N 1 0 202.298 0.247 10 0 BCAERO O=C1NCCC[C@H]1[NH2+]Cc1ccncc1 ZINC000050394047 384201668 /nfs/dbraw/zinc/20/16/68/384201668.db2.gz QDSTWPIXQKGMRA-SNVBAGLBSA-N 1 0 205.261 0.450 10 0 BCAERO C[C@@H]1CCC[C@@H](NC(=O)[C@@H]2C[NH2+]CCOC2)C1 ZINC000643633820 384207021 /nfs/dbraw/zinc/20/70/21/384207021.db2.gz SEPBELHLRKATMJ-IJLUTSLNSA-N 1 0 240.347 0.917 10 0 BCAERO CO[C@H]1C[NH2+]C[C@H]1NC(=O)C(C)(C)C ZINC000036235946 384186151 /nfs/dbraw/zinc/18/61/51/384186151.db2.gz ZOMOFORZVGTENT-SFYZADRCSA-N 1 0 200.282 0.136 10 0 BCAERO CCC[C@](C)([NH3+])C(=O)NC[C@H](O)C(C)C ZINC000163249230 384188724 /nfs/dbraw/zinc/18/87/24/384188724.db2.gz PXFVJMREKVRKSU-ONGXEEELSA-N 1 0 216.325 0.637 10 0 BCAERO CCC[C@@](C)([NH3+])C(=O)NC[C@@H](O)C(C)C ZINC000163249524 384189635 /nfs/dbraw/zinc/18/96/35/384189635.db2.gz PXFVJMREKVRKSU-MWLCHTKSSA-N 1 0 216.325 0.637 10 0 BCAERO COC[C@@]1(C(=O)N2CCSCC2)CCC[NH2+]1 ZINC000643628358 384190022 /nfs/dbraw/zinc/19/00/22/384190022.db2.gz QYPKEWXHJMHDPT-LLVKDONJSA-N 1 0 244.360 0.330 10 0 BCAERO CC[C@H](COC)NC(=O)[C@]1(COC)CCC[NH2+]1 ZINC000643629093 384191203 /nfs/dbraw/zinc/19/12/03/384191203.db2.gz MNEWXSSYIVWHKX-ZYHUDNBSSA-N 1 0 244.335 0.296 10 0 BCAERO Cc1[nH]nc2c1ncnc2NCC[NH+](C)C ZINC000041531754 384192444 /nfs/dbraw/zinc/19/24/44/384192444.db2.gz OZSCZEZKOIXFKF-UHFFFAOYSA-N 1 0 220.280 0.635 10 0 BCAERO CC(C)(C)CNC(=O)[C@@H]1C[NH2+]CCOC1 ZINC000643630542 384195563 /nfs/dbraw/zinc/19/55/63/384195563.db2.gz RDJDPAZTOWJDAM-SECBINFHSA-N 1 0 214.309 0.385 10 0 BCAERO CC[C@H]1CN(C(=O)[C@H]([NH3+])COC)CCS1 ZINC000132987085 384219675 /nfs/dbraw/zinc/21/96/75/384219675.db2.gz MHNNUQNKFICSLU-DTWKUNHWSA-N 1 0 232.349 0.314 10 0 BCAERO COC[C@H](C)C(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000262730297 384220991 /nfs/dbraw/zinc/22/09/91/384220991.db2.gz CHPKIGYXHVGYHU-DCAQKATOSA-N 1 0 228.336 0.997 10 0 BCAERO C[C@H]1C[C@@H](O)C[N@H+](CCc2cnccn2)C1 ZINC000402900205 384223630 /nfs/dbraw/zinc/22/36/30/384223630.db2.gz HBPFKPHJFBXGOR-CMPLNLGQSA-N 1 0 221.304 0.722 10 0 BCAERO CO[C@@H]1C[C@@H](CO)[N@H+](Cc2cccnc2)C1 ZINC000284609198 384277381 /nfs/dbraw/zinc/27/73/81/384277381.db2.gz QQIHYBATFZXDTB-NWDGAFQWSA-N 1 0 222.288 0.663 10 0 BCAERO COC[C@]1(C(=O)NCC(F)(F)F)CCC[NH2+]1 ZINC000643640021 384252735 /nfs/dbraw/zinc/25/27/35/384252735.db2.gz SFFHWLVRBGVPBK-QMMMGPOBSA-N 1 0 240.225 0.434 10 0 BCAERO CC[C@H](O)CN1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000082699503 384257101 /nfs/dbraw/zinc/25/71/01/384257101.db2.gz CROXCFRPUAOSNJ-SRVKXCTJSA-N 1 0 212.337 0.926 10 0 BCAERO CCOCCCNC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000085009285 384261987 /nfs/dbraw/zinc/26/19/87/384261987.db2.gz OODHPNMJCMUYPN-UWVGGRQHSA-N 1 0 214.309 0.657 10 0 BCAERO CC[C@H](COC)NC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000085013652 384262566 /nfs/dbraw/zinc/26/25/66/384262566.db2.gz FKKSAXCAMUOFJP-LPEHRKFASA-N 1 0 214.309 0.655 10 0 BCAERO Cc1cc(N2CC[C@@H]3OCC[NH2+][C@@H]3C2)ncn1 ZINC000404075097 384265584 /nfs/dbraw/zinc/26/55/84/384265584.db2.gz QITAEWOLPFKQRS-MNOVXSKESA-N 1 0 234.303 0.352 10 0 BCAERO CC(C)CN(C(=O)[C@@H]1C[NH2+]CCOC1)C1CC1 ZINC000643641769 384266375 /nfs/dbraw/zinc/26/63/75/384266375.db2.gz XJQDHWNQNFTJFM-LLVKDONJSA-N 1 0 240.347 0.869 10 0 BCAERO Clc1cncnc1NC[C@H]1C[NH2+]CCO1 ZINC000163698774 384268779 /nfs/dbraw/zinc/26/87/79/384268779.db2.gz KWZKVKXAEVTBIM-SSDOTTSWSA-N 1 0 228.683 0.530 10 0 BCAERO Cc1cncc(C(=O)N2CC[C@H]([NH3+])[C@H]2C)c1 ZINC000335555425 384322451 /nfs/dbraw/zinc/32/24/51/384322451.db2.gz DRFWTCGODGARML-KOLCDFICSA-N 1 0 219.288 0.952 10 0 BCAERO CCC[C@H](C)N(C)C(=O)[C@H]1C[NH2+]CCOC1 ZINC000643644737 384278585 /nfs/dbraw/zinc/27/85/85/384278585.db2.gz ZNISOGBJJILIBL-QWRGUYRKSA-N 1 0 228.336 0.869 10 0 BCAERO COC[C@]1(C(=O)N[C@@H]2C[C@@H]2C)CCC[NH2+]1 ZINC000643644177 384280243 /nfs/dbraw/zinc/28/02/43/384280243.db2.gz JRVPGDNJUGNMLX-NGZCFLSTSA-N 1 0 212.293 0.280 10 0 BCAERO CO[C@@H]1C[C@@H](CO)[N@H+](CCCCF)C1 ZINC000352376012 384296562 /nfs/dbraw/zinc/29/65/62/384296562.db2.gz IVFPBGQRVKMPJG-VHSXEESVSA-N 1 0 205.273 0.818 10 0 BCAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]Cc1cccnc1 ZINC000282497487 384298259 /nfs/dbraw/zinc/29/82/59/384298259.db2.gz WJKPNNWUOQBMSX-ONGXEEELSA-N 1 0 219.288 0.838 10 0 BCAERO C[NH+](C)CCNC(=O)N[C@H]1COc2ccccc21 ZINC000133553665 384298904 /nfs/dbraw/zinc/29/89/04/384298904.db2.gz GVSPJWQFURIYHS-NSHDSACASA-N 1 0 249.314 0.981 10 0 BCAERO O=[S@@](c1ccc(Cl)nn1)[C@@H]1CC[NH2+]C1 ZINC000095069943 384335472 /nfs/dbraw/zinc/33/54/72/384335472.db2.gz WQJYUJANHDAHJV-RCNPXXIZSA-N 1 0 231.708 0.600 10 0 BCAERO CCC[C@@H](C(=O)NC[C@H](O)C(C)C)[NH+](C)C ZINC000179718380 384335984 /nfs/dbraw/zinc/33/59/84/384335984.db2.gz QXVVLBQQGWFKKT-QWRGUYRKSA-N 1 0 230.352 0.850 10 0 BCAERO Clc1nccc(CNC2CC[NH2+]CC2)n1 ZINC000095070300 384336252 /nfs/dbraw/zinc/33/62/52/384336252.db2.gz HBFJKXYJVXYEDY-UHFFFAOYSA-N 1 0 226.711 0.972 10 0 BCAERO O=[S@](c1cc(Cl)ncn1)[C@H]1CCC[NH2+]C1 ZINC000095070422 384336313 /nfs/dbraw/zinc/33/63/13/384336313.db2.gz AANGGUUVPVDDDB-NZFNHWASSA-N 1 0 245.735 0.990 10 0 BCAERO Clc1ccc(CNC2CC[NH2+]CC2)nn1 ZINC000095070487 384337217 /nfs/dbraw/zinc/33/72/17/384337217.db2.gz GGOPOSBHRRDOQM-UHFFFAOYSA-N 1 0 226.711 0.972 10 0 BCAERO Clc1nccnc1CNC[C@H]1CCC[NH2+]1 ZINC000095070372 384337479 /nfs/dbraw/zinc/33/74/79/384337479.db2.gz WEBBYBRXDJSOFF-MRVPVSSYSA-N 1 0 226.711 0.972 10 0 BCAERO Cc1ccnc(N(C)C[C@@H]2CC[NH2+]C2)n1 ZINC000095071222 384339095 /nfs/dbraw/zinc/33/90/95/384339095.db2.gz MFIMGZULGOQAPE-SNVBAGLBSA-N 1 0 206.293 0.831 10 0 BCAERO CN(CC(=O)c1ccc[nH]1)C[C@H]1CCC[NH2+]1 ZINC000095070993 384339469 /nfs/dbraw/zinc/33/94/69/384339469.db2.gz YUTDAJWBDAHTPW-SNVBAGLBSA-N 1 0 221.304 0.881 10 0 BCAERO CN(CC(=O)c1ccccn1)C[C@@H]1CCC[NH2+]1 ZINC000095070998 384339546 /nfs/dbraw/zinc/33/95/46/384339546.db2.gz NJKZCAVOXGMQPO-NSHDSACASA-N 1 0 233.315 0.948 10 0 BCAERO COc1nccnc1COC1CC[NH2+]CC1 ZINC000095071642 384340457 /nfs/dbraw/zinc/34/04/57/384340457.db2.gz ATRYJCFMFYGGND-UHFFFAOYSA-N 1 0 223.276 0.754 10 0 BCAERO COc1nccnc1COC[C@H]1CC[NH2+]C1 ZINC000095071650 384340633 /nfs/dbraw/zinc/34/06/33/384340633.db2.gz IXPZOKCTPZAIDT-VIFPVBQESA-N 1 0 223.276 0.611 10 0 BCAERO COc1nccnc1CN(C)[C@@H]1CCC[NH2+]C1 ZINC000095071584 384340702 /nfs/dbraw/zinc/34/07/02/384340702.db2.gz FAVDNJMMYVXEDD-SNVBAGLBSA-N 1 0 236.319 0.669 10 0 BCAERO C[NH2+][C@@H]1CCCN(CC(=O)c2ccccn2)C1 ZINC000095071491 384341054 /nfs/dbraw/zinc/34/10/54/384341054.db2.gz ODHJNHGAVJKGPS-LLVKDONJSA-N 1 0 233.315 0.948 10 0 BCAERO CSc1nccnc1CNC[C@@H]1CC[NH2+]C1 ZINC000095071938 384341163 /nfs/dbraw/zinc/34/11/63/384341163.db2.gz GKIMCLVBXMWMNZ-SECBINFHSA-N 1 0 238.360 0.898 10 0 BCAERO CSc1nccnc1CN1CC[C@H](C[NH3+])C1 ZINC000095071907 384341609 /nfs/dbraw/zinc/34/16/09/384341609.db2.gz HUSIDOXBOFNLDE-SECBINFHSA-N 1 0 238.360 0.979 10 0 BCAERO [NH3+][C@H]1CCN(Cc2ccnc(Cl)n2)C1 ZINC000095072159 384342826 /nfs/dbraw/zinc/34/28/26/384342826.db2.gz KDQAMHFIWGXAIE-ZETCQYMHSA-N 1 0 212.684 0.663 10 0 BCAERO [NH3+][C@H]1CCN(Cc2nccnc2Cl)C1 ZINC000095072161 384342854 /nfs/dbraw/zinc/34/28/54/384342854.db2.gz QHDKLYQEOMARDL-ZETCQYMHSA-N 1 0 212.684 0.663 10 0 BCAERO [NH3+]C[C@@H]1CCCN(c2ncccc2O)C1 ZINC000095072498 384343314 /nfs/dbraw/zinc/34/33/14/384343314.db2.gz GMCDEVQOIFCNNI-VIFPVBQESA-N 1 0 207.277 0.962 10 0 BCAERO Nc1nc2ccccc2nc1O[C@@H]1CC[NH2+]C1 ZINC000095072180 384343800 /nfs/dbraw/zinc/34/38/00/384343800.db2.gz OIZWEYZBKJTKMB-MRVPVSSYSA-N 1 0 230.271 0.953 10 0 BCAERO [NH3+]C[C@H]1CCN(c2nc3cccnc3[nH]2)C1 ZINC000095072675 384343922 /nfs/dbraw/zinc/34/39/22/384343922.db2.gz VLEHRQNZJFJRKQ-MRVPVSSYSA-N 1 0 217.276 0.695 10 0 BCAERO O=S(=O)(Cc1ccccn1)[C@@H]1CC[NH2+]C1 ZINC000095073078 384344910 /nfs/dbraw/zinc/34/49/10/384344910.db2.gz AUXBJDQHQJJZJC-SNVBAGLBSA-N 1 0 226.301 0.358 10 0 BCAERO O=C(COC1CC[NH2+]CC1)c1cnccn1 ZINC000095072855 384345039 /nfs/dbraw/zinc/34/50/39/384345039.db2.gz VTVSJSMJKXLCQY-UHFFFAOYSA-N 1 0 221.260 0.428 10 0 BCAERO O=C(CN[C@H]1CC[NH2+]C1)c1nccs1 ZINC000095072757 384345288 /nfs/dbraw/zinc/34/52/88/384345288.db2.gz LRFCFWYLKBCGTB-ZETCQYMHSA-N 1 0 211.290 0.277 10 0 BCAERO O=C(CN[C@@H]1CCC[NH2+]C1)c1cnccn1 ZINC000095072738 384345355 /nfs/dbraw/zinc/34/53/55/384345355.db2.gz QNDMZDYJTNFJBR-SECBINFHSA-N 1 0 220.276 0.001 10 0 BCAERO O=S(=O)(c1ncccn1)C1CC[NH2+]CC1 ZINC000095073073 384345373 /nfs/dbraw/zinc/34/53/73/384345373.db2.gz WUWLTBHTNUKUTP-UHFFFAOYSA-N 1 0 227.289 0.002 10 0 BCAERO O=C(CNC[C@@H]1CC[NH2+]C1)c1ccc[nH]1 ZINC000095072803 384345419 /nfs/dbraw/zinc/34/54/19/384345419.db2.gz KNLDJLNGMMISCD-SECBINFHSA-N 1 0 207.277 0.397 10 0 BCAERO O=C(COC[C@H]1CC[NH2+]C1)c1cnccn1 ZINC000095072902 384346103 /nfs/dbraw/zinc/34/61/03/384346103.db2.gz HJIRVPJQLLMJOR-VIFPVBQESA-N 1 0 221.260 0.285 10 0 BCAERO O=S(=O)(Cc1ccccn1)[C@H]1CC[NH2+]C1 ZINC000095073079 384346431 /nfs/dbraw/zinc/34/64/31/384346431.db2.gz AUXBJDQHQJJZJC-JTQLQIEISA-N 1 0 226.301 0.358 10 0 BCAERO O=[S@@](C[C@@H]1CCC[NH2+]1)c1ncccn1 ZINC000095073548 384347174 /nfs/dbraw/zinc/34/71/74/384347174.db2.gz SSFCLFOWXIFNSP-RMLUDKJBSA-N 1 0 211.290 0.336 10 0 BCAERO O=[S@](C[C@H]1CCC[NH2+]1)c1ccccn1 ZINC000095073535 384347825 /nfs/dbraw/zinc/34/78/25/384347825.db2.gz TZEGAHHJGXRLBD-OTYXRUKQSA-N 1 0 210.302 0.941 10 0 BCAERO O=[S@@](C[C@H]1CCC[NH2+]C1)c1ncccn1 ZINC000095073610 384347883 /nfs/dbraw/zinc/34/78/83/384347883.db2.gz VWCGIMUVJUSEKF-BJOHPYRUSA-N 1 0 225.317 0.584 10 0 BCAERO O=[S@](C[C@@H]1CCC[NH2+]1)c1cnccn1 ZINC000095073545 384348143 /nfs/dbraw/zinc/34/81/43/384348143.db2.gz CHCREXINEMTSFA-RTHLEPHNSA-N 1 0 211.290 0.336 10 0 BCAERO O=S(=O)(CC1CC[NH2+]CC1)c1nccs1 ZINC000095073264 384348358 /nfs/dbraw/zinc/34/83/58/384348358.db2.gz WVFUZMOLVOOOQW-UHFFFAOYSA-N 1 0 246.357 0.916 10 0 BCAERO C[C@H]1C[C@H](O)C[N@H+](CCc2cnn(C)c2)C1 ZINC000335585898 384348625 /nfs/dbraw/zinc/34/86/25/384348625.db2.gz GIKLPLIMRIXRHE-JQWIXIFHSA-N 1 0 223.320 0.665 10 0 BCAERO O=[S@](C[C@H]1CCC[NH2+]C1)c1cnccn1 ZINC000095073607 384348843 /nfs/dbraw/zinc/34/88/43/384348843.db2.gz VSOGTWWUZPPNJO-VFZGTOFNSA-N 1 0 225.317 0.584 10 0 BCAERO O=[S@](C[C@H]1CCCC[NH2+]1)c1cnccn1 ZINC000095073487 384348929 /nfs/dbraw/zinc/34/89/29/384348929.db2.gz USPYDELWAIMORL-PSLIRLAXSA-N 1 0 225.317 0.726 10 0 BCAERO O=[S@](Cc1cccnc1)C[C@H]1CC[NH2+]C1 ZINC000095073694 384350244 /nfs/dbraw/zinc/35/02/44/384350244.db2.gz MJSCWDSGXDUCNV-NHYWBVRUSA-N 1 0 224.329 0.940 10 0 BCAERO N[C@@H](C(=O)OCc1ccccc1)[C@H]1CCC[NH2+]1 ZINC000095079052 384354722 /nfs/dbraw/zinc/35/47/22/384354722.db2.gz JVSDVQDOVLBDSZ-VXGBXAGGSA-N 1 0 234.299 0.809 10 0 BCAERO CC(=O)N1CCC2(C1)CCN(CC[NH3+])CC2 ZINC000095082798 384360450 /nfs/dbraw/zinc/36/04/50/384360450.db2.gz GDOWHKLQVLYOQS-UHFFFAOYSA-N 1 0 225.336 0.280 10 0 BCAERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)Nc1ccncc1 ZINC000335594216 384361080 /nfs/dbraw/zinc/36/10/80/384361080.db2.gz VIPCOKQMJFHUFS-GXSJLCMTSA-N 1 0 219.288 0.830 10 0 BCAERO c1cnc(COCC2CC[NH2+]CC2)cn1 ZINC000095092707 384363648 /nfs/dbraw/zinc/36/36/48/384363648.db2.gz SGIZNWCCZZCMCE-UHFFFAOYSA-N 1 0 207.277 0.993 10 0 BCAERO CCCCOCCNC(=O)[C@@H]1C[NH2+]CCOC1 ZINC000643649710 384324557 /nfs/dbraw/zinc/32/45/57/384324557.db2.gz DXCHVRINMPTKDW-LLVKDONJSA-N 1 0 244.335 0.155 10 0 BCAERO C[C@@H](NC[C@H]1CCC[NH2+]1)c1cnccn1 ZINC000095068367 384329124 /nfs/dbraw/zinc/32/91/24/384329124.db2.gz VNZSPMXIUYMDKI-NXEZZACHSA-N 1 0 206.293 0.879 10 0 BCAERO Cc1cnc([S@](=O)[C@H]2CC[NH2+]C2)nc1Cl ZINC000095068701 384329858 /nfs/dbraw/zinc/32/98/58/384329858.db2.gz VPXZYWWDLITAEW-ZIDLFYJRSA-N 1 0 245.735 0.908 10 0 BCAERO C[C@H](NC1CC[NH2+]CC1)c1cnccn1 ZINC000095068330 384330407 /nfs/dbraw/zinc/33/04/07/384330407.db2.gz ZORKNYKXFXZSJU-VIFPVBQESA-N 1 0 206.293 0.879 10 0 BCAERO Cc1ccc([S@@](=O)CC2CC[NH2+]CC2)nn1 ZINC000095069133 384331737 /nfs/dbraw/zinc/33/17/37/384331737.db2.gz ZNDWXEIXOQWNJM-MRXNPFEDSA-N 1 0 239.344 0.892 10 0 BCAERO Cc1ccc(S(=O)(=O)C[C@@H]2CC[NH2+]C2)nc1 ZINC000095069016 384332320 /nfs/dbraw/zinc/33/23/20/384332320.db2.gz IDVXRJIGCDTAID-SNVBAGLBSA-N 1 0 240.328 0.773 10 0 BCAERO Cc1ccnc(S(=O)(=O)[C@@H]2CC[NH2+]C2)c1 ZINC000095069168 384332358 /nfs/dbraw/zinc/33/23/58/384332358.db2.gz GMYXLIVKKPUNNL-SECBINFHSA-N 1 0 226.301 0.526 10 0 BCAERO Cc1ccc(S(=O)(=O)C[C@H]2CC[NH2+]C2)nn1 ZINC000095069082 384332443 /nfs/dbraw/zinc/33/24/43/384332443.db2.gz YDSJFKLWPQHVCC-VIFPVBQESA-N 1 0 241.316 0.168 10 0 BCAERO Cc1ccnc([S@](=O)[C@H]2CCC[NH2+]C2)n1 ZINC000095069277 384332530 /nfs/dbraw/zinc/33/25/30/384332530.db2.gz QPAXBWMXCYRFJY-VFZGTOFNSA-N 1 0 225.317 0.645 10 0 BCAERO Cc1cc(C)nc([S@](=O)[C@H]2CC[NH2+]C2)n1 ZINC000095068873 384332674 /nfs/dbraw/zinc/33/26/74/384332674.db2.gz GGCCGANWLQMBDQ-VFZGTOFNSA-N 1 0 225.317 0.563 10 0 BCAERO Cc1ccc(S(=O)(=O)C[C@H]2CCC[NH2+]2)nc1 ZINC000095069013 384333092 /nfs/dbraw/zinc/33/30/92/384333092.db2.gz BDQIGYMQUBSGFL-SNVBAGLBSA-N 1 0 240.328 0.916 10 0 BCAERO Cc1ccnc([S@@](=O)[C@H]2CC[NH2+]C2)c1 ZINC000095069207 384333102 /nfs/dbraw/zinc/33/31/02/384333102.db2.gz NLLJUAIFKAYKIK-LKFCYVNXSA-N 1 0 210.302 0.860 10 0 BCAERO Clc1nccc(CN2CCC[NH2+]CC2)n1 ZINC000095070134 384333847 /nfs/dbraw/zinc/33/38/47/384333847.db2.gz SNTRFJGWMZEEOY-UHFFFAOYSA-N 1 0 226.711 0.925 10 0 BCAERO O=S(=O)(c1ncc(Cl)cn1)[C@@H]1CC[NH2+]C1 ZINC000095069992 384334051 /nfs/dbraw/zinc/33/40/51/384334051.db2.gz UZMGXNGYKABISX-SSDOTTSWSA-N 1 0 247.707 0.266 10 0 BCAERO C[C@H]1CN(c2ncc(Cl)cn2)CC[NH2+]1 ZINC000095069508 384334173 /nfs/dbraw/zinc/33/41/73/384334173.db2.gz MKCANXPEGFGDBN-ZETCQYMHSA-N 1 0 212.684 0.928 10 0 BCAERO O=S(=O)(c1ccnc(Cl)n1)[C@H]1CC[NH2+]C1 ZINC000095070079 384334225 /nfs/dbraw/zinc/33/42/25/384334225.db2.gz QPERTXSMGRFRRX-LURJTMIESA-N 1 0 247.707 0.266 10 0 BCAERO CC(C)[C@H](CO)C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000394045257 384395227 /nfs/dbraw/zinc/39/52/27/384395227.db2.gz LZTALUAWGVXKBZ-NWDGAFQWSA-N 1 0 214.353 0.983 10 0 BCAERO CN1C(=O)c2ccc(F)cc2O[C@H]2C[NH2+]C[C@H]21 ZINC000514287986 384404051 /nfs/dbraw/zinc/40/40/51/384404051.db2.gz FRGCXURCNXZWQM-KOLCDFICSA-N 1 0 236.246 0.631 10 0 biogenic,in-vitro BCAERO C[C@@](N)(CC[NH3+])C(=O)OCc1ccccc1 ZINC000095930140 384411284 /nfs/dbraw/zinc/41/12/84/384411284.db2.gz VEOUUCJPDQMOTR-GFCCVEGCSA-N 1 0 222.288 0.796 10 0 BCAERO Cc1c[nH]nc1CN1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000647512640 384411951 /nfs/dbraw/zinc/41/19/51/384411951.db2.gz NYHGOZNMGGKHKD-GARJFASQSA-N 1 0 220.320 0.887 10 0 BCAERO Cc1nn(C)cc1CN[C@H]1CCC[NH2+][C@@H]1C ZINC000335644202 384415401 /nfs/dbraw/zinc/41/54/01/384415401.db2.gz PIHMBZHSTGQPRA-PWSUYJOCSA-N 1 0 222.336 0.959 10 0 BCAERO COC(C)(C)C(=O)N1C[C@H](C)[C@H]([NH+](C)C)C1 ZINC000229729908 384417510 /nfs/dbraw/zinc/41/75/10/384417510.db2.gz IWCQBTYLARVESI-VHSXEESVSA-N 1 0 228.336 0.820 10 0 BCAERO Cn1ccnc1C[NH2+]C[C@H]1CCC[C@H]1O ZINC000084230193 384379847 /nfs/dbraw/zinc/37/98/47/384379847.db2.gz SSXPDZFUJQYXQS-NXEZZACHSA-N 1 0 209.293 0.671 10 0 BCAERO Cn1cc(C[NH2+]C[C@H]2CCC[C@@H]2O)cn1 ZINC000084226696 384381061 /nfs/dbraw/zinc/38/10/61/384381061.db2.gz OECRKLJGNDNRTK-MNOVXSKESA-N 1 0 209.293 0.671 10 0 BCAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]Cc1cc[nH]c1 ZINC000335605750 384381419 /nfs/dbraw/zinc/38/14/19/384381419.db2.gz IAQHVZBRZUFLCZ-WPRPVWTQSA-N 1 0 207.277 0.771 10 0 BCAERO CC[C@@]1(C)CCN(C(=O)[C@H]2C[NH2+]CCOC2)C1 ZINC000643724942 384454372 /nfs/dbraw/zinc/45/43/72/384454372.db2.gz FJVBJCGRFMNYFW-AAEUAGOBSA-N 1 0 240.347 0.871 10 0 BCAERO CCCN(C(=O)[C@H]1C[NH2+]CCOC1)C1CC1 ZINC000643791665 384430025 /nfs/dbraw/zinc/43/00/25/384430025.db2.gz IQOLBFOALXAEAZ-JTQLQIEISA-N 1 0 226.320 0.623 10 0 BCAERO C[C@H](CCC1CC1)NC(=O)[C@H]1C[NH2+]CCOC1 ZINC000643791736 384433065 /nfs/dbraw/zinc/43/30/65/384433065.db2.gz KQZDOMKCNCYIFQ-PWSUYJOCSA-N 1 0 240.347 0.917 10 0 BCAERO CC[C@@H](C)NC(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000087638891 384473621 /nfs/dbraw/zinc/47/36/21/384473621.db2.gz XDLTTYNYVHTDMG-SNVBAGLBSA-N 1 0 227.352 0.585 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)N2CC[NH2+]C(C)(C)C2)O1 ZINC000148963553 384474783 /nfs/dbraw/zinc/47/47/83/384474783.db2.gz JYECORJCEDTXAR-NXEZZACHSA-N 1 0 226.320 0.764 10 0 BCAERO C[C@@H]1OCC[C@@H]1[NH2+]Cc1cnc(N(C)C)n1C ZINC000149477197 384479154 /nfs/dbraw/zinc/47/91/54/384479154.db2.gz FPVAKKODADSAIF-ONGXEEELSA-N 1 0 238.335 0.753 10 0 BCAERO Cn1cncc1[C@H]1[C@@H]([NH3+])CCC(=O)N1C ZINC000085169021 384507952 /nfs/dbraw/zinc/50/79/52/384507952.db2.gz DEXKKGSSFWGLCX-OIBJUYFYSA-N 1 0 208.265 0.041 10 0 BCAERO Cn1cncc1C[NH2+]C[C@@H]1CCC[C@H]1O ZINC000085169723 384509494 /nfs/dbraw/zinc/50/94/94/384509494.db2.gz SFDSFLSICFGVQL-GXSJLCMTSA-N 1 0 209.293 0.671 10 0 BCAERO COCC[C@@H](C)NC(=O)[C@]1(COC)CCC[NH2+]1 ZINC000643672200 384509591 /nfs/dbraw/zinc/50/95/91/384509591.db2.gz HTRJQDLGIBWIMN-ZYHUDNBSSA-N 1 0 244.335 0.296 10 0 BCAERO COC[C@@]1(C(=O)N[C@@H]2CC23CC3)CCC[NH2+]1 ZINC000643839236 384510315 /nfs/dbraw/zinc/51/03/15/384510315.db2.gz GHUPFFXDZXWNRC-BXKDBHETSA-N 1 0 224.304 0.424 10 0 BCAERO C[C@@H](C(=O)N(C)C)[N@@H+]1CC[C@H](CCO)C1 ZINC000161621775 384511057 /nfs/dbraw/zinc/51/10/57/384511057.db2.gz QEDQAQQEGVCRIO-VHSXEESVSA-N 1 0 214.309 0.167 10 0 BCAERO CCCC(C)(C)NC(=O)[C@@H]1C[NH2+]CCOC1 ZINC000643670566 384491399 /nfs/dbraw/zinc/49/13/99/384491399.db2.gz DYGGFSRIOFLEAO-SNVBAGLBSA-N 1 0 228.336 0.917 10 0 BCAERO CN1CCO[C@@H](C[NH2+]C2CCOCC2)C1 ZINC000085444920 384524637 /nfs/dbraw/zinc/52/46/37/384524637.db2.gz UGSVOGKAFHUDLH-NSHDSACASA-N 1 0 214.309 0.086 10 0 BCAERO OC[C@H]1C[C@@H](O)CN1Cc1cc(F)ccc1F ZINC000184005674 384549713 /nfs/dbraw/zinc/54/97/13/384549713.db2.gz CCSSDJXCUSVUME-GHMZBOCLSA-N 1 0 243.253 0.892 10 0 BCAERO CO[C@H]1C[NH2+][C@@H](C(=O)NC2CCCC2)C1 ZINC000040629478 384556665 /nfs/dbraw/zinc/55/66/65/384556665.db2.gz PKRFZDSAYJIVCR-NXEZZACHSA-N 1 0 212.293 0.422 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N(CCOC)CC(F)F ZINC000236795548 384570676 /nfs/dbraw/zinc/57/06/76/384570676.db2.gz JJBSFCIBXVIVBK-QMMMGPOBSA-N 1 0 238.278 0.854 10 0 BCAERO C[C@@H]([NH2+]CC(=O)N(C)C)c1ccncc1 ZINC000097922808 384579929 /nfs/dbraw/zinc/57/99/29/384579929.db2.gz CABGSKBCDCDOMS-SECBINFHSA-N 1 0 207.277 0.820 10 0 BCAERO C[C@H]1C[NH2+]C[C@H]1NS(=O)(=O)C(C)(C)C ZINC000162501871 384632648 /nfs/dbraw/zinc/63/26/48/384632648.db2.gz KWDDZOONXGYAGK-JGVFFNPUSA-N 1 0 220.338 0.312 10 0 BCAERO C[C@@](N)(C[NH3+])C(=O)OCc1ccccc1 ZINC000071186629 384614254 /nfs/dbraw/zinc/61/42/54/384614254.db2.gz QZUBUZVBPCHFAG-LLVKDONJSA-N 1 0 208.261 0.406 10 0 BCAERO [NH3+]CCc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000011849340 384621859 /nfs/dbraw/zinc/62/18/59/384621859.db2.gz ZBKRQYPUNFUNRX-UHFFFAOYSA-N 1 0 240.328 0.629 10 0 BCAERO [NH3+]Cc1ccncc1OC[C@@H]1CCOC1 ZINC000162468367 384625658 /nfs/dbraw/zinc/62/56/58/384625658.db2.gz TVUFSWBUMSFUGE-SECBINFHSA-N 1 0 208.261 0.956 10 0 BCAERO COC[C@H](C)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000103534161 384633763 /nfs/dbraw/zinc/63/37/63/384633763.db2.gz ZNENDTCKAMAMNV-WDEREUQCSA-N 1 0 240.347 0.869 10 0 BCAERO COC[C@H](C)C(=O)NCC(C)(C)C[NH+](C)C ZINC000103519476 384628876 /nfs/dbraw/zinc/62/88/76/384628876.db2.gz CUQHSKQXFCFIOI-JTQLQIEISA-N 1 0 230.352 0.973 10 0 BCAERO C[NH2+][C@H](C)C(=O)N1[C@H](C)COC[C@H]1C ZINC000517959952 384593542 /nfs/dbraw/zinc/59/35/42/384593542.db2.gz JLSBWYIYTVDBOJ-IWSPIJDZSA-N 1 0 200.282 0.230 10 0 BCAERO [NH3+][C@H]1CCCN(CC(=O)c2ccco2)C1 ZINC000050149803 384598459 /nfs/dbraw/zinc/59/84/59/384598459.db2.gz WBOQFAWASRTABV-VIFPVBQESA-N 1 0 208.261 0.885 10 0 BCAERO O=S1(=O)CC([NH2+][C@H]2CCCSC2)C1 ZINC000258771709 384664223 /nfs/dbraw/zinc/66/42/23/384664223.db2.gz FIELHRYEWMIWRF-ZETCQYMHSA-N 1 0 221.347 0.269 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)N(C)CC(C)(C)OC ZINC000404312436 384635535 /nfs/dbraw/zinc/63/55/35/384635535.db2.gz WFUOQYAQNOHBPN-SECBINFHSA-N 1 0 216.325 0.997 10 0 BCAERO OC[C@H]1C[C@@H](O)C[N@@H+]1CCc1ccccn1 ZINC000184730391 384644604 /nfs/dbraw/zinc/64/46/04/384644604.db2.gz FYWYETZMBAKRGZ-VXGBXAGGSA-N 1 0 222.288 0.052 10 0 BCAERO Cn1nncc1C(=O)N[C@@H]1CC[C@@H]([NH+](C)C)C1 ZINC000337155785 384661565 /nfs/dbraw/zinc/66/15/65/384661565.db2.gz PCHLDHBMVWVMRJ-RKDXNWHRSA-N 1 0 237.307 0.028 10 0 BCAERO C[C@H](O)CCCN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000086933242 384723076 /nfs/dbraw/zinc/72/30/76/384723076.db2.gz ZUQQMZFUYCDOOO-NWDGAFQWSA-N 1 0 212.337 0.927 10 0 BCAERO COCC(C)(C)C[N@@H+]1CC[C@@H]2OCCN[C@H]2C1 ZINC000647541266 384685000 /nfs/dbraw/zinc/68/50/00/384685000.db2.gz VMDZCBXOMPVIMM-RYUDHWBXSA-N 1 0 242.363 0.722 10 0 BCAERO C[NH2+][C@H](C)C(=O)N1CCN(C(C)C)CC1 ZINC000054072507 384726850 /nfs/dbraw/zinc/72/68/50/384726850.db2.gz OWBXNWIJZAFBOD-SNVBAGLBSA-N 1 0 213.325 0.147 10 0 BCAERO CC(C)[C@H]1OCC[C@H]1C[NH2+][C@H](C)CC(N)=O ZINC000309667151 384705954 /nfs/dbraw/zinc/70/59/54/384705954.db2.gz IJVHBFVCTYNNCY-JFGNBEQYSA-N 1 0 228.336 0.901 10 0 BCAERO CCN(C)C(=O)C[NH2+][C@@H]1CCCC[C@H]1O ZINC000052013621 384708979 /nfs/dbraw/zinc/70/89/79/384708979.db2.gz AALABCXYNFWDGU-NXEZZACHSA-N 1 0 214.309 0.358 10 0 BCAERO Cc1cnc(CN2CCO[C@@H](C[NH+](C)C)C2)o1 ZINC000173701113 384710474 /nfs/dbraw/zinc/71/04/74/384710474.db2.gz LNVNTMCMESYHMV-NSHDSACASA-N 1 0 239.319 0.745 10 0 BCAERO CC(C)CCS(=O)(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000104741687 384715018 /nfs/dbraw/zinc/71/50/18/384715018.db2.gz ZFBKJDZPNNJOPQ-LLVKDONJSA-N 1 0 248.392 0.998 10 0 BCAERO COC[C@H]([NH3+])C(=O)NC[C@@H]1CCC[C@@H](C)C1 ZINC000234729244 384777878 /nfs/dbraw/zinc/77/78/78/384777878.db2.gz MJWWOWHAFSKYFE-MXWKQRLJSA-N 1 0 228.336 0.903 10 0 BCAERO N[C@@H](C[NH3+])c1cccc2c1OC(F)(F)O2 ZINC000044470335 384735086 /nfs/dbraw/zinc/73/50/86/384735086.db2.gz PYGJRCCYNQXECJ-LURJTMIESA-N 1 0 216.187 0.967 10 0 BCAERO Cn1ncc2c1nccc2NCCC[NH3+] ZINC000107197200 384779227 /nfs/dbraw/zinc/77/92/27/384779227.db2.gz OMYHJSFMWSAFIS-UHFFFAOYSA-N 1 0 205.265 0.729 10 0 BCAERO C[C@H]1C[C@H](O)C[N@H+](CC(=O)NC(C)(C)C)C1 ZINC000334825207 384739169 /nfs/dbraw/zinc/73/91/69/384739169.db2.gz FOKCUXVRQMHSGA-UWVGGRQHSA-N 1 0 228.336 0.604 10 0 BCAERO O=C(CN1CC[NH2+]CC1)c1ccccn1 ZINC000083229370 384755146 /nfs/dbraw/zinc/75/51/46/384755146.db2.gz ZSBYCZZJKVWEGF-UHFFFAOYSA-N 1 0 205.261 0.170 10 0 BCAERO C[C@@H]1C[NH2+]CCN1c1nccc(Cl)n1 ZINC000083347183 384763610 /nfs/dbraw/zinc/76/36/10/384763610.db2.gz UVJRBEOLHIUNKG-SSDOTTSWSA-N 1 0 212.684 0.928 10 0 BCAERO Cc1nn(C)cc1C[NH2+]C[C@H]1CN(C)CCO1 ZINC000126028666 384766500 /nfs/dbraw/zinc/76/65/00/384766500.db2.gz HKKNFGQDJHKOSD-LBPRGKRZSA-N 1 0 238.335 0.149 10 0 BCAERO CO[C@H](C)C[NH2+][C@@H]1CCC(=O)N[C@@H]1C ZINC000308574695 384822113 /nfs/dbraw/zinc/82/21/13/384822113.db2.gz DAVALQLTJUYYJK-IWSPIJDZSA-N 1 0 200.282 0.278 10 0 BCAERO COC[C@]1(C(=O)N[C@@H]2CO[C@H](C)C2)CCC[NH2+]1 ZINC000648204596 384838037 /nfs/dbraw/zinc/83/80/37/384838037.db2.gz BOFBKLYBBLHVMF-SCVCMEIPSA-N 1 0 242.319 0.049 10 0 BCAERO CN(C(=O)[C@@H]1C[NH2+]CCOC1)C(C)(C)C ZINC000648204039 384833891 /nfs/dbraw/zinc/83/38/91/384833891.db2.gz PJLSKPADHQBJNV-SECBINFHSA-N 1 0 214.309 0.479 10 0 BCAERO C[C@H]1C[C@@H](O)C[N@H+](Cc2ccc(C(N)=O)cc2)C1 ZINC000334746889 384783105 /nfs/dbraw/zinc/78/31/05/384783105.db2.gz SGOJXZLPDLCZMM-GXFFZTMASA-N 1 0 248.326 0.988 10 0 BCAERO CC1(C)CCN(C(=O)[C@@H]2C[NH2+]CCOC2)C1 ZINC000643689406 384836363 /nfs/dbraw/zinc/83/63/63/384836363.db2.gz FNFFFEQFGWRHFK-SNVBAGLBSA-N 1 0 226.320 0.481 10 0 BCAERO CC[C@H](C)[C@H]([NH3+])C(=O)N[C@H](C)[C@H](C)CO ZINC000163397481 384803531 /nfs/dbraw/zinc/80/35/31/384803531.db2.gz AYKNMZHXTYYMDE-JLIMGVALSA-N 1 0 216.325 0.493 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC[C@@H]2OCC[C@@H]2C1 ZINC000648195588 384813942 /nfs/dbraw/zinc/81/39/42/384813942.db2.gz FFIWDQDDUSLJFG-KKOKHZNYSA-N 1 0 238.331 0.479 10 0 BCAERO C[NH+](C)CCNC(=O)c1csc(N)n1 ZINC000055176936 384873408 /nfs/dbraw/zinc/87/34/08/384873408.db2.gz QRKOQLDFVQSHON-UHFFFAOYSA-N 1 0 214.294 0.017 10 0 BCAERO COC[C@H](C)[NH2+][C@@H]1CCC(=O)N[C@H]1C ZINC000308626596 384875257 /nfs/dbraw/zinc/87/52/57/384875257.db2.gz WWKZRYSLSIVGQM-XHNCKOQMSA-N 1 0 200.282 0.278 10 0 BCAERO CC(C)(C)OC(=O)NCc1nnc(CC[NH3+])[nH]1 ZINC000072236552 384843255 /nfs/dbraw/zinc/84/32/55/384843255.db2.gz UGMSTUQVYIQQRF-UHFFFAOYSA-N 1 0 241.295 0.331 10 0 BCAERO CC(C)[N@@H+](CC(N)=O)C[C@H](O)COC(C)(C)C ZINC000053420614 384848672 /nfs/dbraw/zinc/84/86/72/384848672.db2.gz BWSJUVTWGSUSJD-JTQLQIEISA-N 1 0 246.351 0.358 10 0 BCAERO CC(C)[N@@H+](CC(N)=O)C[C@@H](O)COC(C)(C)C ZINC000053420615 384848732 /nfs/dbraw/zinc/84/87/32/384848732.db2.gz BWSJUVTWGSUSJD-SNVBAGLBSA-N 1 0 246.351 0.358 10 0 BCAERO Cc1c(CN2CC[NH2+][C@@H](C)[C@@H]2C)cnn1C ZINC000336054592 384863550 /nfs/dbraw/zinc/86/35/50/384863550.db2.gz JBNGEGBSIZKSGR-UWVGGRQHSA-N 1 0 222.336 0.911 10 0 BCAERO C[NH2+][C@@H](C)CNS(=O)(=O)C1(C)CC1 ZINC000647292614 384866279 /nfs/dbraw/zinc/86/62/79/384866279.db2.gz ZVDOAGDIXZDZTQ-ZETCQYMHSA-N 1 0 206.311 0.066 10 0 BCAERO Cc1cc(N2CC[C@@H]3OCC[NH2+][C@H]3C2)ncn1 ZINC000404075100 384893900 /nfs/dbraw/zinc/89/39/00/384893900.db2.gz QITAEWOLPFKQRS-QWRGUYRKSA-N 1 0 234.303 0.352 10 0 BCAERO Cc1cc(N2CC[C@@H]3OCC[NH2+][C@@H]3C2)nc(C)n1 ZINC000404092939 384896326 /nfs/dbraw/zinc/89/63/26/384896326.db2.gz UYHOLRARTAZFQC-NEPJUHHUSA-N 1 0 248.330 0.661 10 0 BCAERO CSC[C@H](C)NC(=O)[C@H]1CCC[NH2+]C1 ZINC000127626829 384908208 /nfs/dbraw/zinc/90/82/08/384908208.db2.gz LFZYQXWRKCPTRI-IUCAKERBSA-N 1 0 216.350 0.854 10 0 BCAERO CC[C@H](O)C[N@@H+]1CCO[C@H](Cn2cccn2)C1 ZINC000106386971 384912695 /nfs/dbraw/zinc/91/26/95/384912695.db2.gz DEQSBBKUSYOXKU-RYUDHWBXSA-N 1 0 239.319 0.355 10 0 BCAERO C([C@H]1CCCCO1)N1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC000404197693 384959080 /nfs/dbraw/zinc/95/90/80/384959080.db2.gz NYUGVUOUZCLARN-UPJWGTAASA-N 1 0 240.347 0.618 10 0 BCAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]CCCn1ccnc1 ZINC000282522622 384921362 /nfs/dbraw/zinc/92/13/62/384921362.db2.gz YIQYPDKJLIPZJB-WDEREUQCSA-N 1 0 236.319 0.530 10 0 BCAERO c1ccc(NC[C@H]2CN3CCN2CC3)nc1 ZINC000301769967 384931194 /nfs/dbraw/zinc/93/11/94/384931194.db2.gz JEQPSQCPAUPKJU-NSHDSACASA-N 1 0 218.304 0.493 10 0 BCAERO C[C@H](C[NH3+])Nc1cc(NC2CC2)ncn1 ZINC000258678812 384932505 /nfs/dbraw/zinc/93/25/05/384932505.db2.gz PGEMVFZXUSCGGD-SSDOTTSWSA-N 1 0 207.281 0.810 10 0 BCAERO COC[C@H](C)[NH2+][C@@H]1CCc2nc[nH]c2C1 ZINC000368090438 384939098 /nfs/dbraw/zinc/93/90/98/384939098.db2.gz RHASOSXRYXKRQE-DTWKUNHWSA-N 1 0 209.293 0.892 10 0 BCAERO CCN(C[C@@H]1CCCO1)C(=O)[C@@H](C)C1C[NH2+]C1 ZINC000164445707 384991457 /nfs/dbraw/zinc/99/14/57/384991457.db2.gz LFAHLLHEFDKFRI-JQWIXIFHSA-N 1 0 240.347 0.869 10 0 BCAERO CCC[C@@H]1C[C@@H]1NC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000226379504 385000834 /nfs/dbraw/zinc/00/08/34/385000834.db2.gz UZKCONSWCZOCMU-MXWKQRLJSA-N 1 0 226.320 0.670 10 0 BCAERO CC[C@H](N[C@H]1CCC(=O)N[C@@H]1C)C(=O)OC ZINC000310004609 385015164 /nfs/dbraw/zinc/01/51/64/385015164.db2.gz GBMFBYNWMFGBSM-VGMNWLOBSA-N 1 0 228.292 0.195 10 0 BCAERO C[NH+](C)C[C@H]1CN(Cc2nccs2)CCO1 ZINC000128254848 385016359 /nfs/dbraw/zinc/01/63/59/385016359.db2.gz PJSLBWMZYBGDRS-JTQLQIEISA-N 1 0 241.360 0.906 10 0 BCAERO c1n[nH]cc1CCN1CC[C@H]2OCC[NH2+][C@@H]2C1 ZINC000404215919 384962083 /nfs/dbraw/zinc/96/20/83/384962083.db2.gz YHEPDPMVVOTGMD-VXGBXAGGSA-N 1 0 236.319 0.015 10 0 BCAERO CC(C)(C)OCC[N@@H+]1CCC[C@@](O)(C(N)=O)C1 ZINC000310422860 385052776 /nfs/dbraw/zinc/05/27/76/385052776.db2.gz ZJLFJDHXSQPMEK-LBPRGKRZSA-N 1 0 244.335 0.114 10 0 BCAERO [NH3+][C@@H]1CC[C@H]2CN(Cc3ccno3)C[C@H]12 ZINC000309011638 385059928 /nfs/dbraw/zinc/05/99/28/385059928.db2.gz XHONWMVPTLQFTR-INTQDDNPSA-N 1 0 207.277 0.844 10 0 BCAERO Cc1cc2c(N[C@H]3CC[NH2+]C3)nccn2n1 ZINC000156979470 385031593 /nfs/dbraw/zinc/03/15/93/385031593.db2.gz PFZXBBIHDFBOMV-VIFPVBQESA-N 1 0 217.276 0.812 10 0 BCAERO O=C(NCc1ccco1)[C@H]1C[NH2+]CCOC1 ZINC000643767645 385036571 /nfs/dbraw/zinc/03/65/71/385036571.db2.gz FLSXDWFJTRPRQW-VIFPVBQESA-N 1 0 224.260 0.132 10 0 BCAERO Cc1nn(C)c(C)c1[C@H]1[C@@H](C[NH3+])CC(=O)N1C ZINC000407986753 385109355 /nfs/dbraw/zinc/10/93/55/385109355.db2.gz HBSGPEVWESZUHC-BXKDBHETSA-N 1 0 236.319 0.515 10 0 BCAERO COc1ncc(Cl)c(N2C[C@H]([NH3+])[C@@H](C)C2)n1 ZINC000235051407 385118213 /nfs/dbraw/zinc/11/82/13/385118213.db2.gz QZWHOSMIZROIGW-XPUUQOCRSA-N 1 0 242.710 0.922 10 0 BCAERO C[NH+](C)C[C@@H]1CN(c2cnccn2)CCO1 ZINC000108951674 385118779 /nfs/dbraw/zinc/11/87/79/385118779.db2.gz RUOIPOCCFBUSSG-SNVBAGLBSA-N 1 0 222.292 0.243 10 0 BCAERO COC(=O)[C@@H]1CCC[N@H+](CC(C)(C)O)C1 ZINC000113267186 385127674 /nfs/dbraw/zinc/12/76/74/385127674.db2.gz QJGURPPXDFGQOM-SECBINFHSA-N 1 0 215.293 0.642 10 0 BCAERO COC(=O)CN1CC[C@H](CNc2ccccn2)C1 ZINC000151102897 385087326 /nfs/dbraw/zinc/08/73/26/385087326.db2.gz UIMPKDAFIQABJC-LLVKDONJSA-N 1 0 249.314 0.988 10 0 BCAERO O=C(NC[C@H]1CC[NH2+]C1)c1n[nH]c2c1CCCC2 ZINC000646967490 385093322 /nfs/dbraw/zinc/09/33/22/385093322.db2.gz VPRBNDGFTPWKID-VIFPVBQESA-N 1 0 248.330 0.628 10 0 BCAERO CC[C@@H]1CN(CCO)CC[N@@H+]1CCOC ZINC000177710205 385098111 /nfs/dbraw/zinc/09/81/11/385098111.db2.gz XGZDIFILVGSLBI-LLVKDONJSA-N 1 0 216.325 0.021 10 0 BCAERO CN(C(=O)[C@@H]1C[NH2+]CCOC1)C1CCC1 ZINC000643701372 385147023 /nfs/dbraw/zinc/14/70/23/385147023.db2.gz XSAXCKFYJANQLJ-SECBINFHSA-N 1 0 212.293 0.233 10 0 BCAERO c1cc(C[NH2+][C@H]2CCc3ncnn3C2)c[nH]1 ZINC000165668512 385175714 /nfs/dbraw/zinc/17/57/14/385175714.db2.gz VTRLOPXVIYAUIG-JTQLQIEISA-N 1 0 217.276 0.711 10 0 BCAERO CC[C@](C)(O)C[N@@H+]1CC[C@H](OCCOC)C1 ZINC000189721077 385179427 /nfs/dbraw/zinc/17/94/27/385179427.db2.gz ATUJLGGQIDROLK-RYUDHWBXSA-N 1 0 231.336 0.885 10 0 BCAERO CO[C@@H]1C[C@@H](CO)[N@H+](C[C@@H]2CCOC2)C1 ZINC000308813152 385181033 /nfs/dbraw/zinc/18/10/33/385181033.db2.gz AFPUEWJKBQYTFN-GARJFASQSA-N 1 0 215.293 0.105 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N(C)CCCC(=O)NC ZINC000237035371 385256627 /nfs/dbraw/zinc/25/66/27/385256627.db2.gz QCKUOIGJLBLYCM-VIFPVBQESA-N 1 0 229.324 0.098 10 0 BCAERO Cn1ncnc1COc1cccc(NN)[nH+]1 ZINC000033358732 385224471 /nfs/dbraw/zinc/22/44/71/385224471.db2.gz SLOYDUWPLPVNSA-UHFFFAOYSA-N 1 0 220.236 0.075 10 0 BCAERO COC(=O)[C@H](C)CN(C)C(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000227804317 385244035 /nfs/dbraw/zinc/24/40/35/385244035.db2.gz OHPSUZOSHCAUFW-KXUCPTDWSA-N 1 0 242.319 0.381 10 0 BCAERO C[C@@H](C[NH2+]C[C@H]1C[C@H]1C)N1CCOCC1 ZINC000308895433 385247351 /nfs/dbraw/zinc/24/73/51/385247351.db2.gz ZGHJSTZPTRFWQE-GRYCIOLGSA-N 1 0 212.337 0.953 10 0 BCAERO C[NH+](C)C[C@H]1CN(Cc2ccncc2)CCO1 ZINC000130410974 385248405 /nfs/dbraw/zinc/24/84/05/385248405.db2.gz INFVHULRPQVWME-ZDUSSCGKSA-N 1 0 235.331 0.844 10 0 BCAERO CO[C@H]1C[C@H](CO)[N@H+](CCCCCO)C1 ZINC000308886066 385251069 /nfs/dbraw/zinc/25/10/69/385251069.db2.gz GEKYXDYTEQBYQO-MNOVXSKESA-N 1 0 217.309 0.231 10 0 BCAERO CN(CC[NH3+])C(=O)[C@@]1(C)CCCS1 ZINC000164823348 385312303 /nfs/dbraw/zinc/31/23/03/385312303.db2.gz VJJRESSOAFYKDN-SECBINFHSA-N 1 0 202.323 0.689 10 0 BCAERO C[C@](O)(Cn1cc(C[NH3+])nn1)C(F)(F)F ZINC000308906612 385281353 /nfs/dbraw/zinc/28/13/53/385281353.db2.gz LNLPBGKSQVWIPW-LURJTMIESA-N 1 0 224.186 0.050 10 0 BCAERO COCc1noc([C@@]2(COC)CCC[NH2+]2)n1 ZINC000643936416 385297138 /nfs/dbraw/zinc/29/71/38/385297138.db2.gz NBMHZVKMOQNJHL-JTQLQIEISA-N 1 0 227.264 0.441 10 0 BCAERO COC[C@]1(c2nc(-c3ncc[nH]3)no2)CCC[NH2+]1 ZINC000643936909 385300101 /nfs/dbraw/zinc/30/01/01/385300101.db2.gz QCBGFYIIQARJOY-NSHDSACASA-N 1 0 249.274 0.685 10 0 BCAERO C[NH+](C)[C@H]1CCN(C(=O)c2ccnnc2)C1 ZINC000131467469 385336652 /nfs/dbraw/zinc/33/66/52/385336652.db2.gz SIJKHFQSTOSTSB-JTQLQIEISA-N 1 0 220.276 0.253 10 0 BCAERO CCc1nnc(C[NH2+]C2(CO)CCCC2)n1C ZINC000179066886 385367081 /nfs/dbraw/zinc/36/70/81/385367081.db2.gz GDDJMNDPYNRREZ-UHFFFAOYSA-N 1 0 238.335 0.772 10 0 BCAERO C[C@H]1[C@H]([NH3+])CCN1C(=O)c1cccn1C ZINC000309037426 385375770 /nfs/dbraw/zinc/37/57/70/385375770.db2.gz HADYCNIKBAUVKK-DTWKUNHWSA-N 1 0 207.277 0.587 10 0 BCAERO CC1(CNC(=O)[C@H]2C[NH2+]CCC2(F)F)COC1 ZINC000644018493 385380276 /nfs/dbraw/zinc/38/02/76/385380276.db2.gz VFOOFHLOSYMKNW-MRVPVSSYSA-N 1 0 248.273 0.384 10 0 BCAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]C[C@@H]1CCOC1 ZINC000309158725 385441289 /nfs/dbraw/zinc/44/12/89/385441289.db2.gz YDOVTZMOEXBMNX-LPEHRKFASA-N 1 0 212.293 0.280 10 0 BCAERO Cn1nccc1C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170864281 385450709 /nfs/dbraw/zinc/45/07/09/385450709.db2.gz FIVVUKKXANXTBN-SECBINFHSA-N 1 0 222.292 0.196 10 0 BCAERO C[NH+](C)[C@@H]1CCN(C(=O)c2cnsn2)C1 ZINC000170865201 385451326 /nfs/dbraw/zinc/45/13/26/385451326.db2.gz RDAWPPDBMPAGLU-SSDOTTSWSA-N 1 0 226.305 0.314 10 0 BCAERO C[NH+](C)[C@H]1CCN(C(=O)c2cnns2)C1 ZINC000170865207 385451915 /nfs/dbraw/zinc/45/19/15/385451915.db2.gz BHJYLTUVNVZRTR-ZETCQYMHSA-N 1 0 226.305 0.314 10 0 BCAERO OCCC[C@H]1CCC[N@@H+]1CCOCCO ZINC000052762271 385466622 /nfs/dbraw/zinc/46/66/22/385466622.db2.gz IXRRWRJQHPBLJD-LLVKDONJSA-N 1 0 217.309 0.232 10 0 BCAERO OCCC[C@@H]1CCC[N@@H+]1CCOCCO ZINC000052762272 385467338 /nfs/dbraw/zinc/46/73/38/385467338.db2.gz IXRRWRJQHPBLJD-NSHDSACASA-N 1 0 217.309 0.232 10 0 BCAERO CCOC(=O)[C@@]1(O)CC[N@H+](C)[C@H](C)C1 ZINC000156978346 385477311 /nfs/dbraw/zinc/47/73/11/385477311.db2.gz JVVSVYAQCCPGKE-PSASIEDQSA-N 1 0 201.266 0.395 10 0 BCAERO C[C@@H]1OCC[C@@H]1NC(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000644105303 385481213 /nfs/dbraw/zinc/48/12/13/385481213.db2.gz MJYOSMYMPCFMKA-YIZRAAEISA-N 1 0 248.273 0.525 10 0 BCAERO CCc1nnc(CN(C)CCCOC)n1C ZINC000195113962 385460912 /nfs/dbraw/zinc/46/09/12/385460912.db2.gz JYMCPEFOSUUIRP-UHFFFAOYSA-N 1 0 226.324 0.846 10 0 BCAERO CC(C)CCC[N@@H+]1CCC[C@](O)(C(N)=O)C1 ZINC000309221073 385490701 /nfs/dbraw/zinc/49/07/01/385490701.db2.gz QNHSMKLVIXISRE-GFCCVEGCSA-N 1 0 228.336 0.735 10 0 BCAERO CCN1C(=O)C[C@H](C[NH3+])[C@@H]1c1nccn1C ZINC000328579656 385490985 /nfs/dbraw/zinc/49/09/85/385490985.db2.gz VEDFDPMMBYZEAR-PSASIEDQSA-N 1 0 222.292 0.288 10 0 BCAERO CCOc1nccnc1N1CC[C@H](C[NH3+])C1 ZINC000642999639 385498332 /nfs/dbraw/zinc/49/83/32/385498332.db2.gz STBXMMZIEJKQHO-SECBINFHSA-N 1 0 222.292 0.660 10 0 BCAERO Cc1cc(CN2CCO[C@@H](C[NH+](C)C)C2)on1 ZINC000171637036 385503436 /nfs/dbraw/zinc/50/34/36/385503436.db2.gz YLANWNDDKNBTDQ-LBPRGKRZSA-N 1 0 239.319 0.745 10 0 BCAERO Cc1nocc1C(=O)N1CCC[C@H]1C[NH3+] ZINC000257700771 385489006 /nfs/dbraw/zinc/48/90/06/385489006.db2.gz OCJJIVRRLXLDLT-QMMMGPOBSA-N 1 0 209.249 0.546 10 0 BCAERO CC(C)(C)OC(=O)N[C@H]1CCOC[C@@H]1[NH3+] ZINC000259519057 385532038 /nfs/dbraw/zinc/53/20/38/385532038.db2.gz ABPWYJBKUUVONI-YUMQZZPRSA-N 1 0 216.281 0.627 10 0 BCAERO O=C(c1cc[nH]c1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171930175 385534222 /nfs/dbraw/zinc/53/42/22/385534222.db2.gz ZZSLMWMMXUQPSF-NSHDSACASA-N 1 0 219.288 0.935 10 0 BCAERO CO[C@H]1CCN(C(=O)C[C@@H]2CCC[NH2+]C2)C1 ZINC000234779637 259669286 /nfs/dbraw/zinc/66/92/86/259669286.db2.gz MJPSIDUVGMUIMH-QWRGUYRKSA-N 1 0 226.320 0.623 10 0 BCAERO C[NH+](C)[C@@H]1CCN(C(=O)CC2CCOCC2)C1 ZINC000117251561 385557108 /nfs/dbraw/zinc/55/71/08/385557108.db2.gz TWHLVANRFUCAKJ-GFCCVEGCSA-N 1 0 240.347 0.966 10 0 BCAERO [NH3+]C[C@H]1CCC[C@H]1N1CCCS1(=O)=O ZINC000036809151 385571024 /nfs/dbraw/zinc/57/10/24/385571024.db2.gz JCHRCRQMNGLGDP-RKDXNWHRSA-N 1 0 218.322 0.149 10 0 BCAERO [NH3+]C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O ZINC000036809153 385571707 /nfs/dbraw/zinc/57/17/07/385571707.db2.gz JCHRCRQMNGLGDP-BDAKNGLRSA-N 1 0 218.322 0.149 10 0 BCAERO C[C@@H]1OCC[C@@H]1[NH2+]C[C@@H](O)CN(C)C1CC1 ZINC000309454706 385593356 /nfs/dbraw/zinc/59/33/56/385593356.db2.gz QQNUBSUUHICSOG-WCQGTBRESA-N 1 0 228.336 0.209 10 0 BCAERO OC1(C[NH2+]CCCCF)CCOCC1 ZINC000308552023 385579786 /nfs/dbraw/zinc/57/97/86/385579786.db2.gz SJPHNDRVWQAJCH-UHFFFAOYSA-N 1 0 205.273 0.867 10 0 BCAERO CC(C)(C)OC(=O)NC[C@@H]1C[NH2+]CCN1 ZINC000201506832 385584712 /nfs/dbraw/zinc/58/47/12/385584712.db2.gz XWVBNGQHXQOIBF-QMMMGPOBSA-N 1 0 215.297 0.073 10 0 BCAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]C[C@@H](O)C(C)(C)C ZINC000336678387 385616718 /nfs/dbraw/zinc/61/67/18/385616718.db2.gz BRALDIPICUUSCY-IVZWLZJFSA-N 1 0 228.336 0.650 10 0 BCAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]C[C@H]1CCCCO1 ZINC000336737139 385628041 /nfs/dbraw/zinc/62/80/41/385628041.db2.gz JDHOBGSSLDLXKI-AXFHLTTASA-N 1 0 226.320 0.812 10 0 BCAERO CC(C)([NH3+])C(=O)N[C@H]1CCCC[C@H]1O ZINC000052009298 385607403 /nfs/dbraw/zinc/60/74/03/385607403.db2.gz NSKNDJXNWIWCHF-JGVFFNPUSA-N 1 0 200.282 0.143 10 0 BCAERO CC(C)C[C@H](C)[N@@H+]1CCC[C@](O)(C(N)=O)C1 ZINC000336652790 385658464 /nfs/dbraw/zinc/65/84/64/385658464.db2.gz JAPLIIADYCTONF-CMPLNLGQSA-N 1 0 228.336 0.733 10 0 BCAERO CC(C)(C)OC(=O)N1C[C@@H]2C[NH2+]C[C@H]2C1=O ZINC000253388129 385673790 /nfs/dbraw/zinc/67/37/90/385673790.db2.gz ZCPQWXSMXZWYEK-JGVFFNPUSA-N 1 0 226.276 0.599 10 0 BCAERO Cc1c(C[NH2+][C@H](CO)CC(F)F)cnn1C ZINC000336693635 385738306 /nfs/dbraw/zinc/73/83/06/385738306.db2.gz LHZFJNMVDKILQW-VIFPVBQESA-N 1 0 233.262 0.834 10 0 BCAERO CCO[C@@H]1COCC[C@@H]1[NH2+]C[C@@](C)(O)CC ZINC000309618096 385748868 /nfs/dbraw/zinc/74/88/68/385748868.db2.gz DJLCFYUQEVMYMW-TUAOUCFPSA-N 1 0 231.336 0.931 10 0 BCAERO C[C@H]1C[C@H](NC(=O)[C@H]2CCCO2)CC[NH2+]1 ZINC000235719014 259675240 /nfs/dbraw/zinc/67/52/40/259675240.db2.gz JSFQPDXXCJQRIK-IVZWLZJFSA-N 1 0 212.293 0.422 10 0 BCAERO C[NH2+][C@H](C)C(=O)NCc1ccc(C)nc1 ZINC000062055541 385762652 /nfs/dbraw/zinc/76/26/52/385762652.db2.gz NZAOAEDXCWOUMH-SECBINFHSA-N 1 0 207.277 0.614 10 0 BCAERO C[C@@H](O)C[N@@H+]1C[C@@H]2CCCCN2C[C@@H]1C ZINC000225959103 385776933 /nfs/dbraw/zinc/77/69/33/385776933.db2.gz PVVHJBBMCPYSAL-TUAOUCFPSA-N 1 0 212.337 0.926 10 0 BCAERO CO[C@]1(C[N@@H+]2CC[C@H](CCO)C2)CCOC1 ZINC000638087494 385816971 /nfs/dbraw/zinc/81/69/71/385816971.db2.gz BOWBXCFCDZKZQT-NEPJUHHUSA-N 1 0 229.320 0.496 10 0 BCAERO Oc1cc(F)cc(CNC[C@H]2C[NH2+]C[C@@H]2O)c1 ZINC000263301584 385823026 /nfs/dbraw/zinc/82/30/26/385823026.db2.gz XCBMMILMLKKGHO-CABZTGNLSA-N 1 0 240.278 0.201 10 0 BCAERO Oc1cc(F)cc(CNC[C@@H]2C[NH2+]C[C@H]2O)c1 ZINC000263301583 385823374 /nfs/dbraw/zinc/82/33/74/385823374.db2.gz XCBMMILMLKKGHO-BXKDBHETSA-N 1 0 240.278 0.201 10 0 BCAERO [NH3+]Cc1cnc(-n2cncn2)c(Cl)c1 ZINC000051489466 385828981 /nfs/dbraw/zinc/82/89/81/385828981.db2.gz IMXAJYOLKVWVIU-UHFFFAOYSA-N 1 0 209.640 0.774 10 0 BCAERO Cc1cnn(CCNC(=O)[C@@]2(C)CC[NH2+]C2)c1 ZINC000235940487 259675687 /nfs/dbraw/zinc/67/56/87/259675687.db2.gz XXLGUCZRRJYBFF-LBPRGKRZSA-N 1 0 236.319 0.307 10 0 BCAERO CCCOc1nccnc1N1CC[NH2+]CC1 ZINC000201564177 385850242 /nfs/dbraw/zinc/85/02/42/385850242.db2.gz CASYWFYTAQBSIO-UHFFFAOYSA-N 1 0 222.292 0.675 10 0 BCAERO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)[C@@H]2CCCO2)C1 ZINC000069725311 385854625 /nfs/dbraw/zinc/85/46/25/385854625.db2.gz HGGRBQLEAOTUHS-VWYCJHECSA-N 1 0 226.320 0.751 10 0 BCAERO NC(=O)CCNC(=[NH2+])NCc1ccccc1 ZINC000307128370 385928884 /nfs/dbraw/zinc/92/88/84/385928884.db2.gz FAUHABHWJAYFOB-UHFFFAOYSA-N 1 0 220.276 0.176 10 0 BCAERO CC1CN(C(=O)[C@H]2CSCC[NH2+]2)C1 ZINC000575534855 385899893 /nfs/dbraw/zinc/89/98/93/385899893.db2.gz RHVBKJAHIKXDLR-MRVPVSSYSA-N 1 0 200.307 0.170 10 0 BCAERO CC(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@@H](C)[NH3+] ZINC000121777897 385862948 /nfs/dbraw/zinc/86/29/48/385862948.db2.gz PIIQFDWUKLZRNO-BBBLOLIVSA-N 1 0 214.309 0.511 10 0 BCAERO CC[C@H]1CN(C)CCC[N@@H+]1[C@@H](C)CO ZINC000307049341 385864386 /nfs/dbraw/zinc/86/43/86/385864386.db2.gz KIHIWWOXVHKBBA-QWRGUYRKSA-N 1 0 200.326 0.783 10 0 BCAERO Nc1cccc([C@@H]2COCCN2CCO)c1 ZINC000616640585 385864942 /nfs/dbraw/zinc/86/49/42/385864942.db2.gz IBCHWRIBYNUZQM-LBPRGKRZSA-N 1 0 222.288 0.634 10 0 BCAERO [NH3+][C@H]1CC[C@H](N2CCN3C(=O)CC[C@H]3C2)C1 ZINC000216612321 385867802 /nfs/dbraw/zinc/86/78/02/385867802.db2.gz TZBZWWGOFGVDLA-DCAQKATOSA-N 1 0 223.320 0.173 10 0 BCAERO CC(C)n1nnnc1CN(C)C1CC[NH2+]CC1 ZINC000647818267 385870938 /nfs/dbraw/zinc/87/09/38/385870938.db2.gz HTFQRAFPVDXWKZ-UHFFFAOYSA-N 1 0 238.339 0.438 10 0 BCAERO Cn1ncc(Br)c1[C@H]1COC[C@@H]1[NH3+] ZINC000575531645 385877518 /nfs/dbraw/zinc/87/75/18/385877518.db2.gz QPTJEOAXFPNQBE-FSPLSTOPSA-N 1 0 246.108 0.624 10 0 BCAERO C[C@H]1[C@@H](O)CCC[N@@H+]1Cc1cnn(C)c1 ZINC000295000063 385936633 /nfs/dbraw/zinc/93/66/33/385936633.db2.gz LFHPJSKKHGRETF-ONGXEEELSA-N 1 0 209.293 0.765 10 0 BCAERO C[C@@H]1CCN1C(=O)[C@H]1CSCC[NH2+]1 ZINC000575538788 385941563 /nfs/dbraw/zinc/94/15/63/385941563.db2.gz PXQYHGSMOMEEAB-HTQZYQBOSA-N 1 0 200.307 0.312 10 0 BCAERO C[C@H]1CCN1C(=O)[C@@H]1CSCC[NH2+]1 ZINC000575538791 385942199 /nfs/dbraw/zinc/94/21/99/385942199.db2.gz PXQYHGSMOMEEAB-YUMQZZPRSA-N 1 0 200.307 0.312 10 0 BCAERO Cn1ncc(NCC2C[NH2+]C2)c1Br ZINC000575542031 385955196 /nfs/dbraw/zinc/95/51/96/385955196.db2.gz MXRGJDSMZVOKMI-UHFFFAOYSA-N 1 0 245.124 0.814 10 0 BCAERO COC(=O)[C@@H]1CCC[N@H+](CC2(O)CCC2)C1 ZINC000342218969 385960722 /nfs/dbraw/zinc/96/07/22/385960722.db2.gz JLWCZRGLXUOFSG-SNVBAGLBSA-N 1 0 227.304 0.786 10 0 BCAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]C[C@@H]1CCSC1 ZINC000336746764 385965147 /nfs/dbraw/zinc/96/51/47/385965147.db2.gz BYFOKVWPRMMJPT-LPEHRKFASA-N 1 0 228.361 0.996 10 0 BCAERO CC[C@](C)(O)C[NH+]1CCN(C[C@H](C)O)CC1 ZINC000189243068 385974122 /nfs/dbraw/zinc/97/41/22/385974122.db2.gz KRAWNWHJZOPALV-RYUDHWBXSA-N 1 0 230.352 0.146 10 0 BCAERO CC/C=C/CC[N@@H+]1CCC[C@](O)(C(N)=O)C1 ZINC000286170572 386004063 /nfs/dbraw/zinc/00/40/63/386004063.db2.gz MKRTVEANXQEQBQ-AAOUONPWSA-N 1 0 226.320 0.655 10 0 BCAERO Cc1nc(C)c(C[N@@H+]2C[C@H](O)C[C@@H]2CO)s1 ZINC000273471799 386005468 /nfs/dbraw/zinc/00/54/68/386005468.db2.gz JIRMJMKCNBLNOO-NXEZZACHSA-N 1 0 242.344 0.687 10 0 BCAERO COC1(CC(=O)N2CC[C@@H]([NH3+])[C@@H]2C)CCC1 ZINC000309334788 386007432 /nfs/dbraw/zinc/00/74/32/386007432.db2.gz UBFGTSJIBGDHCW-VHSXEESVSA-N 1 0 226.320 0.894 10 0 BCAERO Cc1n[nH]cc1C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000638892769 386010742 /nfs/dbraw/zinc/01/07/42/386010742.db2.gz XJLUIEQXDMTVKY-VXNVDRBHSA-N 1 0 222.292 0.385 10 0 BCAERO Cc1c[nH]nc1C[N@@H+]1CC[C@@H](CCO)C1 ZINC000356125475 386031075 /nfs/dbraw/zinc/03/10/75/386031075.db2.gz KWQQCHUNHPWVNX-JTQLQIEISA-N 1 0 209.293 0.922 10 0 BCAERO C[C@@H]1[C@H]([NH2+]C[C@@H](O)C(C)(C)C)CCS1(=O)=O ZINC000309839524 386033814 /nfs/dbraw/zinc/03/38/14/386033814.db2.gz NYUTXTJLRASJEF-OPRDCNLKSA-N 1 0 249.376 0.559 10 0 BCAERO COC(=O)c1ccc(NC[C@@H]([NH3+])C2CC2)nn1 ZINC000129312639 386052088 /nfs/dbraw/zinc/05/20/88/386052088.db2.gz XZJYUNYREATCIX-MRVPVSSYSA-N 1 0 236.275 0.412 10 0 BCAERO CC[C@H]1CC[N@@H+]1CCCS(N)(=O)=O ZINC000308413506 386082966 /nfs/dbraw/zinc/08/29/66/386082966.db2.gz PLJFSCKMXHYBLZ-QMMMGPOBSA-N 1 0 206.311 0.149 10 0 BCAERO CC[C@H](C)CS(=O)(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000113288384 386086618 /nfs/dbraw/zinc/08/66/18/386086618.db2.gz IBXATJYGTZPFOA-QWRGUYRKSA-N 1 0 248.392 0.998 10 0 BCAERO Nc1cccc([C@@H]2COCCCN2CC[NH3+])c1 ZINC000616644258 386152190 /nfs/dbraw/zinc/15/21/90/386152190.db2.gz AOIAOIUNAINAGP-ZDUSSCGKSA-N 1 0 235.331 0.991 10 0 BCAERO COCC1(C[NH2+]C[C@@H]2CN(C)CCO2)CCC1 ZINC000310163298 386152372 /nfs/dbraw/zinc/15/23/72/386152372.db2.gz RSGAEYMKOSHUPQ-GFCCVEGCSA-N 1 0 242.363 0.723 10 0 BCAERO O=[S@@]([C@@H]1CCOC1)[C@H]1CCC[NH2+]C1 ZINC000575575482 386174409 /nfs/dbraw/zinc/17/44/09/386174409.db2.gz HJDIEDSQPZMLAJ-IGJMFERPSA-N 1 0 203.307 0.276 10 0 BCAERO O=[S@@]([C@H]1CCOC1)[C@H]1CCC[NH2+]C1 ZINC000575575499 386174443 /nfs/dbraw/zinc/17/44/43/386174443.db2.gz HJDIEDSQPZMLAJ-MWODSPESSA-N 1 0 203.307 0.276 10 0 BCAERO C[C@@H]1CC[N@H+](C[C@H](O)COC(C)(C)C)[C@@H]1CO ZINC000190359037 386175670 /nfs/dbraw/zinc/17/56/70/386175670.db2.gz CBDDOBZNZSQOFT-GRYCIOLGSA-N 1 0 245.363 0.865 10 0 BCAERO Cc1nc(N)nc(N2CC[N@@H+]3CCCC[C@@H]3C2)n1 ZINC000310679365 386222961 /nfs/dbraw/zinc/22/29/61/386222961.db2.gz LOWBBSMNRZKKBC-SNVBAGLBSA-N 1 0 248.334 0.437 10 0 BCAERO CC(=O)c1cc(C(=O)N2C[C@@H](C)[C@@H]([NH3+])C2)n(C)c1 ZINC000335378595 386229476 /nfs/dbraw/zinc/22/94/76/386229476.db2.gz DJJGILSFUBDPIG-KCJUWKMLSA-N 1 0 249.314 0.647 10 0 BCAERO C[NH+](C)[C@@H]1CCN(C(=O)c2ccncc2F)C1 ZINC000226225424 386239393 /nfs/dbraw/zinc/23/93/93/386239393.db2.gz KSXPINXVBYVQMZ-SECBINFHSA-N 1 0 237.278 0.997 10 0 BCAERO C[N@H+](C[C@@H]1CCC[C@H]1O)CC1(O)CCC1 ZINC000336643020 386248404 /nfs/dbraw/zinc/24/84/04/386248404.db2.gz BIMVCHMXVMQWEY-WDEREUQCSA-N 1 0 213.321 0.994 10 0 BCAERO C[N@H+](C[C@H](O)CN1C[C@H]2CCC[C@@H]21)C1CC1 ZINC000336647922 386257317 /nfs/dbraw/zinc/25/73/17/386257317.db2.gz FXBNQJIZTMIAOK-WXHSDQCUSA-N 1 0 224.348 0.926 10 0 BCAERO Cc1nc(C)c(C(=O)N2CCC[C@H]2C[NH3+])o1 ZINC000132880159 386258520 /nfs/dbraw/zinc/25/85/20/386258520.db2.gz HRUXSAWXESGVMR-VIFPVBQESA-N 1 0 223.276 0.855 10 0 BCAERO CCCc1nc(CN2CCC[C@H]2C[NH3+])no1 ZINC000133236033 386286735 /nfs/dbraw/zinc/28/67/35/386286735.db2.gz NNJSZEVUPLYGIK-VIFPVBQESA-N 1 0 224.308 0.945 10 0 BCAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)NC[C@H]1CCCO1 ZINC000416440490 386319352 /nfs/dbraw/zinc/31/93/52/386319352.db2.gz SORSHASHRVFXIS-OPRDCNLKSA-N 1 0 227.308 0.297 10 0 BCAERO C[C@]1(C(=O)N[C@H]2CCCC[C@@H]2O)CCCC[NH2+]1 ZINC000133410022 386321222 /nfs/dbraw/zinc/32/12/22/386321222.db2.gz OSFWXVDCXIQGNC-GMXVVIOVSA-N 1 0 240.347 0.938 10 0 BCAERO O[C@@H]1CC[C@@H]2C[N@H+](C[C@H]3COCCO3)C[C@H]2C1 ZINC000425522623 386325469 /nfs/dbraw/zinc/32/54/69/386325469.db2.gz BIIJPXALVWAPKM-LPWJVIDDSA-N 1 0 241.331 0.495 10 0 BCAERO CCC[C@H]([NH3+])C(=O)NCCCC(=O)NC1CC1 ZINC000092997321 386394012 /nfs/dbraw/zinc/39/40/12/386394012.db2.gz FCTMRVJCHUQCKS-JTQLQIEISA-N 1 0 241.335 0.289 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N[C@@H](C)CCC(=O)OCC ZINC000182857451 386434798 /nfs/dbraw/zinc/43/47/98/386434798.db2.gz YLNPYBNGSAPBAL-UWVGGRQHSA-N 1 0 244.335 0.962 10 0 BCAERO CN(CCOCC1CC1)C(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000094988379 386474274 /nfs/dbraw/zinc/47/42/74/386474274.db2.gz AXTJMFOVOLEDPC-NEPJUHHUSA-N 1 0 240.347 0.999 10 0 BCAERO COCC1(NC(=O)[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000519538781 386478948 /nfs/dbraw/zinc/47/89/48/386478948.db2.gz FPRUAKOOLOTYCE-UWVGGRQHSA-N 1 0 226.320 0.799 10 0 BCAERO CCC[C@](C)([NH3+])C(=O)N1CCn2ccnc2C1 ZINC000062254854 386506289 /nfs/dbraw/zinc/50/62/89/386506289.db2.gz IPPUNHUEPKCGFC-LBPRGKRZSA-N 1 0 236.319 0.743 10 0 BCAERO C[C@@H]([NH3+])C[C@@H](C)Nc1cn[nH]c(=O)c1Cl ZINC000320479712 386514253 /nfs/dbraw/zinc/51/42/53/386514253.db2.gz GSXIHGPIFXVDLC-PHDIDXHHSA-N 1 0 230.699 0.961 10 0 BCAERO C[C@H](NC(=O)[C@@]1(C)C[NH2+]CCO1)C1CC1 ZINC000637893611 386521106 /nfs/dbraw/zinc/52/11/06/386521106.db2.gz UTXKAKJXDLLZHW-GZMMTYOYSA-N 1 0 212.293 0.280 10 0 BCAERO Cc1cccc(C)c1C(=O)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000335452155 386524014 /nfs/dbraw/zinc/52/40/14/386524014.db2.gz HAOJSCYFNQUAFH-RYUDHWBXSA-N 1 0 248.326 0.614 10 0 BCAERO C[C@H]1CC[C@H](O)C[N@@H+]1CC(=O)NC(C)(C)C ZINC000399214137 386456894 /nfs/dbraw/zinc/45/68/94/386456894.db2.gz HHQQJNLMGATXHD-UWVGGRQHSA-N 1 0 228.336 0.746 10 0 BCAERO C[C@@H]1CN(C)C[C@@H]1[NH2+][C@@H]1CCC(=O)N[C@H]1C ZINC000336778274 386458045 /nfs/dbraw/zinc/45/80/45/386458045.db2.gz KXPIMMIZFXLRQV-YTWAJWBKSA-N 1 0 225.336 0.193 10 0 BCAERO O[C@H]1[C@@H](O)C[NH2+][C@H]1CCNc1ccccc1 ZINC000013859303 386581267 /nfs/dbraw/zinc/58/12/67/386581267.db2.gz HAOLJUHRPKTQFK-SDDRHHMPSA-N 1 0 222.288 0.182 10 0 BCAERO CC(C)C[NH2+][C@H]1COC[C@H]1n1ccnn1 ZINC000393179000 386584803 /nfs/dbraw/zinc/58/48/03/386584803.db2.gz KUEMZDLQJXGHFV-VHSXEESVSA-N 1 0 210.281 0.464 10 0 BCAERO CC(C)n1cc([C@@H]2C[NH2+]C[C@@H]2CO)cn1 ZINC000238853238 386534821 /nfs/dbraw/zinc/53/48/21/386534821.db2.gz ITDWXHBYHVAYNM-MNOVXSKESA-N 1 0 209.293 0.759 10 0 BCAERO Cn1cc(CN2C[C@@H](F)C[C@H]2C[NH3+])cn1 ZINC000238856059 386536458 /nfs/dbraw/zinc/53/64/58/386536458.db2.gz UTCSLRWTGRCPOO-UWVGGRQHSA-N 1 0 212.272 0.291 10 0 BCAERO Cn1ccnc1CN1C[C@H](F)C[C@H]1C[NH3+] ZINC000238855476 386536466 /nfs/dbraw/zinc/53/64/66/386536466.db2.gz SADIJZYBXRUBQD-BDAKNGLRSA-N 1 0 212.272 0.291 10 0 BCAERO COC(=O)[C@H]1CCO[C@@H]1C1CC[NH2+]CC1 ZINC000238856361 386536839 /nfs/dbraw/zinc/53/68/39/386536839.db2.gz VTUVNQWOJMZUOZ-VHSXEESVSA-N 1 0 213.277 0.564 10 0 BCAERO [NH3+][C@H]1COc2ccccc2S(=O)(=O)C1 ZINC000238856122 386537691 /nfs/dbraw/zinc/53/76/91/386537691.db2.gz UVZZGXNYNIAXEH-ZETCQYMHSA-N 1 0 213.258 0.180 10 0 BCAERO COC[C@H](C)[NH2+][C@@H]1CCC(=O)NC1(C)C ZINC000336755662 386543002 /nfs/dbraw/zinc/54/30/02/386543002.db2.gz IBGKVKQICWMHOT-DTWKUNHWSA-N 1 0 214.309 0.668 10 0 BCAERO Cc1nc(C)c(CN2CCO[C@H](CO)C2)s1 ZINC000267435114 386543165 /nfs/dbraw/zinc/54/31/65/386543165.db2.gz ZZWBCOSDOABDKT-JTQLQIEISA-N 1 0 242.344 0.953 10 0 BCAERO CN(C[C@@H]1CCSC1)[C@H]1C[NH2+]C[C@@H]1O ZINC000415110794 386621662 /nfs/dbraw/zinc/62/16/62/386621662.db2.gz BHGWWTXKKQMBHO-GUBZILKMSA-N 1 0 216.350 0.004 10 0 BCAERO Nc1cc[nH+]cc1C(=O)N[C@@H]1CCC[C@@H](O)C1 ZINC000647979578 386665190 /nfs/dbraw/zinc/66/51/90/386665190.db2.gz ZSKHSOCUNWUJOE-RKDXNWHRSA-N 1 0 235.287 0.527 10 0 BCAERO C[C@H](O)C[N@@H+]1CCN(Cc2ncc[nH]2)C[C@@H]1C ZINC000247402898 386711059 /nfs/dbraw/zinc/71/10/59/386711059.db2.gz BMIJCIMYAREFKQ-QWRGUYRKSA-N 1 0 238.335 0.297 10 0 BCAERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)C1CC2(CCC2)C1 ZINC000335470542 386688785 /nfs/dbraw/zinc/68/87/85/386688785.db2.gz QAJIKNRLDTYEEC-WDEREUQCSA-N 1 0 238.331 0.263 10 0 BCAERO C[C@H]1[C@H]([NH3+])CCN1C(=O)CNC(=O)C(C)(C)C ZINC000335471279 386690406 /nfs/dbraw/zinc/69/04/06/386690406.db2.gz SDHHSNRMZICAHO-DTWKUNHWSA-N 1 0 241.335 0.097 10 0 BCAERO Cc1[nH]nc(C(=O)N2CC[C@@H]([NH3+])[C@@H]2C)c1C ZINC000335472357 386691236 /nfs/dbraw/zinc/69/12/36/386691236.db2.gz YPJMJNOGIMWALL-DTWKUNHWSA-N 1 0 222.292 0.588 10 0 BCAERO C[C@@H]1[N@H+](Cc2ccccc2)CC[C@@]12C[NH+]=C(N)N2 ZINC000307582477 386737371 /nfs/dbraw/zinc/73/73/71/386737371.db2.gz VEAQIRNLMVPVIR-SMDDNHRTSA-N 1 0 244.342 0.938 10 0 BCAERO Cn1nccc1NC(=O)[C@H]1CCC[NH2+]C1 ZINC000044593692 386728690 /nfs/dbraw/zinc/72/86/90/386728690.db2.gz NKSUACCJRWRXIJ-QMMMGPOBSA-N 1 0 208.265 0.358 10 0 BCAERO CC(C)[N@H+](C)C[C@H](O)CN1[C@@H](C)COC[C@@H]1C ZINC000647965234 386749450 /nfs/dbraw/zinc/74/94/50/386749450.db2.gz NKEZKQNTWBTYGQ-AVGNSLFASA-N 1 0 244.379 0.797 10 0 BCAERO [NH3+]C[C@H](NC(=O)[C@@H]1CSCN1)C1CCCC1 ZINC000417835016 386793943 /nfs/dbraw/zinc/79/39/43/386793943.db2.gz NLQVBORDZQATQM-UWVGGRQHSA-N 1 0 243.376 0.283 10 0 BCAERO CO[C@@H]1C[C@@H](CO)N(Cc2ncc(C)o2)C1 ZINC000344908459 386799970 /nfs/dbraw/zinc/79/99/70/386799970.db2.gz PRVKZTPKGZXEFH-VHSXEESVSA-N 1 0 226.276 0.565 10 0 BCAERO CCOC(=O)CNC(=O)[C@@H]1CCC[NH2+][C@H]1C ZINC000395285101 386804663 /nfs/dbraw/zinc/80/46/63/386804663.db2.gz VDRLKPXGRCUAKK-DTWKUNHWSA-N 1 0 228.292 0.054 10 0 BCAERO CCOC(=O)CNC(=O)[C@H]1CCC[NH2+][C@@H]1C ZINC000395285099 386806301 /nfs/dbraw/zinc/80/63/01/386806301.db2.gz VDRLKPXGRCUAKK-BDAKNGLRSA-N 1 0 228.292 0.054 10 0 BCAERO CC[NH2+][C@H](C)C(=O)N[C@@H]1CCCOC1 ZINC000637981353 386835577 /nfs/dbraw/zinc/83/55/77/386835577.db2.gz FZXZTGCTDADLAS-RKDXNWHRSA-N 1 0 200.282 0.280 10 0 BCAERO CCOC(=O)COCC[N@@H+]1CCC[C@@H](O)[C@@H]1C ZINC000395075787 386844554 /nfs/dbraw/zinc/84/45/54/386844554.db2.gz QZJHTYRRGFZIPV-WDEREUQCSA-N 1 0 245.319 0.411 10 0 BCAERO C[C@@H](C[NH2+]CC1(C)COC1)N1CCOCC1 ZINC000336744514 386858513 /nfs/dbraw/zinc/85/85/13/386858513.db2.gz QCBLZGUTKXBHNQ-NSHDSACASA-N 1 0 228.336 0.333 10 0 BCAERO CC(C)(C)[C@@H](O)CNc1cc[nH+]cc1C(N)=O ZINC000302236946 386917208 /nfs/dbraw/zinc/91/72/08/386917208.db2.gz WAOSQPMEJJUJGB-JTQLQIEISA-N 1 0 237.303 0.999 10 0 BCAERO C[C@@H]1C[C@@](N)(C(N)=O)C[N@@H+]1Cc1ccccc1 ZINC000307641609 387007380 /nfs/dbraw/zinc/00/73/80/387007380.db2.gz IQPXPIUIBQTJLA-MFKMUULPSA-N 1 0 233.315 0.464 10 0 BCAERO CCN(C)C(=O)C[N@@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000398706183 386960459 /nfs/dbraw/zinc/96/04/59/386960459.db2.gz NJAFYONJWBBPEE-SRVKXCTJSA-N 1 0 240.347 0.558 10 0 BCAERO C[C@@H]1CN(C(=O)c2ccc3n[nH]nc3c2)C[C@@H]1[NH3+] ZINC000518977433 386967960 /nfs/dbraw/zinc/96/79/60/386967960.db2.gz QLJXYCNXIADLKN-APPZFPTMSA-N 1 0 245.286 0.377 10 0 BCAERO C[C@H]1CN(C(=O)c2ccc3n[nH]nc3c2)C[C@@H]1[NH3+] ZINC000518977434 386967988 /nfs/dbraw/zinc/96/79/88/386967988.db2.gz QLJXYCNXIADLKN-CBAPKCEASA-N 1 0 245.286 0.377 10 0 BCAERO CCNC(=O)C[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000398733967 386975376 /nfs/dbraw/zinc/97/53/76/386975376.db2.gz MEBQDUHGSDGSCM-HBNTYKKESA-N 1 0 226.320 0.215 10 0 BCAERO CS[C@H](C)C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000116787775 386975729 /nfs/dbraw/zinc/97/57/29/386975729.db2.gz XSKKNQLODBBKHW-NXEZZACHSA-N 1 0 246.376 0.527 10 0 BCAERO CNC(=O)CC[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000398732314 386976534 /nfs/dbraw/zinc/97/65/34/386976534.db2.gz LSUOXAZFPFKZIS-HBNTYKKESA-N 1 0 226.320 0.215 10 0 BCAERO CCOC(=O)C[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000398738167 386979559 /nfs/dbraw/zinc/97/95/59/386979559.db2.gz YBQHXRQOPMHAQC-HBNTYKKESA-N 1 0 227.304 0.642 10 0 BCAERO C[C@@H]1CC[C@H]([NH2+][C@@H]2CNOC2)CS1 ZINC000575575249 386992415 /nfs/dbraw/zinc/99/24/15/386992415.db2.gz GGEFPODQOZMDNG-HRDYMLBCSA-N 1 0 202.323 0.764 10 0 BCAERO O[C@@H]1CC[C@@H]2C[N@H+](CCn3cccn3)C[C@H]2C1 ZINC000398802833 386996186 /nfs/dbraw/zinc/99/61/86/386996186.db2.gz RUHBARUBUYKQDP-JHJVBQTASA-N 1 0 235.331 0.976 10 0 BCAERO CC(C)(O)C[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000398825613 387001281 /nfs/dbraw/zinc/00/12/81/387001281.db2.gz GIKAXVQDRQSAEG-HBNTYKKESA-N 1 0 213.321 0.850 10 0 BCAERO CCc1ccc(O)c(NC(=O)[C@@H]([NH3+])COC)c1 ZINC000160021705 387040915 /nfs/dbraw/zinc/04/09/15/387040915.db2.gz QOTRUHCHEKFOOL-VIFPVBQESA-N 1 0 238.287 0.867 10 0 BCAERO COC[C@H]([NH2+][C@H]1CCC(=O)N[C@@H]1C)C(C)C ZINC000336764238 387051440 /nfs/dbraw/zinc/05/14/40/387051440.db2.gz NBNUTFZALUQMIX-VWYCJHECSA-N 1 0 228.336 0.914 10 0 BCAERO OC[C@@H]1Cc2occc2CN1Cc1c[nH]cn1 ZINC000575407953 387009231 /nfs/dbraw/zinc/00/92/31/387009231.db2.gz ZVNCLVASNUZGET-NSHDSACASA-N 1 0 233.271 0.922 10 0 BCAERO C[C@H]1CC[C@H](NC(=O)N(C)C2C[NH2+]C2)C1 ZINC000334933556 387010398 /nfs/dbraw/zinc/01/03/98/387010398.db2.gz YFBXBZSSTDPKFC-IUCAKERBSA-N 1 0 211.309 0.788 10 0 BCAERO O=C(C[N@H+]1C[C@@H]2CC[C@H](O)C[C@@H]2C1)N1CCC1 ZINC000398923544 387020515 /nfs/dbraw/zinc/02/05/15/387020515.db2.gz QZZXXVWQPRFANY-TUAOUCFPSA-N 1 0 238.331 0.312 10 0 BCAERO CC1(C)C[C@H]([S@@](=O)C2C[NH2+]C2)CO1 ZINC000575576411 387022044 /nfs/dbraw/zinc/02/20/44/387022044.db2.gz SQBNCASTWIMRTF-WPPNPWJKSA-N 1 0 203.307 0.274 10 0 BCAERO c1nc2ncnc(NC[C@@H]3CCC[NH2+]3)c2[nH]1 ZINC000053255019 387023278 /nfs/dbraw/zinc/02/32/78/387023278.db2.gz BRLNQWADNONJGZ-ZETCQYMHSA-N 1 0 218.264 0.517 10 0 BCAERO [NH3+][C@@H]1COCC[C@@H]1NC(=O)NCc1ccccc1 ZINC000575458346 387023667 /nfs/dbraw/zinc/02/36/67/387023667.db2.gz GOONFMAZRCVWNI-NEPJUHHUSA-N 1 0 249.314 0.602 10 0 BCAERO CS[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1CN(C)CCO1 ZINC000425366105 387025124 /nfs/dbraw/zinc/02/51/24/387025124.db2.gz ZIOVYKGZPKYVDR-OUAUKWLOSA-N 1 0 230.377 0.801 10 0 BCAERO O=C(NCc1ccccc1)[C@]12C[NH2+]C[C@H]1CCO2 ZINC000575456406 387027193 /nfs/dbraw/zinc/02/71/93/387027193.db2.gz UXBPHOWBAKSKPK-OCCSQVGLSA-N 1 0 246.310 0.681 10 0 BCAERO F[C@H]1C[NH2+]CC[C@@H]1N1CCSCC1 ZINC000575455903 387027836 /nfs/dbraw/zinc/02/78/36/387027836.db2.gz HQPAVRMXFPKSQW-IUCAKERBSA-N 1 0 204.314 0.735 10 0 BCAERO C[C@H]1OCC[C@@H]1NC(=O)NCC1([NH3+])CCC1 ZINC000334952613 387029502 /nfs/dbraw/zinc/02/95/02/387029502.db2.gz ROCMTBKMHAEQQD-BDAKNGLRSA-N 1 0 227.308 0.344 10 0 BCAERO O[C@H](c1cnsc1)[C@H]1C[NH2+]CCS1 ZINC000575466993 387075729 /nfs/dbraw/zinc/07/57/29/387075729.db2.gz AELGUOHNVUAQCK-HTQZYQBOSA-N 1 0 216.331 0.882 10 0 BCAERO [NH3+]C1([C@H]2CCS(=O)(=O)C2)CC=CC1 ZINC000575467633 387076853 /nfs/dbraw/zinc/07/68/53/387076853.db2.gz FAUXECJUYABLGW-QMMMGPOBSA-N 1 0 201.291 0.469 10 0 BCAERO Fc1cnc(NCCCN2CC[NH2+]CC2)nc1 ZINC000228127375 387078080 /nfs/dbraw/zinc/07/80/80/387078080.db2.gz FLOQQUVOYANSJK-UHFFFAOYSA-N 1 0 239.298 0.323 10 0 BCAERO COc1nc([C@@H]2COC[C@@H]2[NH3+])cs1 ZINC000575468143 387080536 /nfs/dbraw/zinc/08/05/36/387080536.db2.gz ZBAZRLNCILCXOC-RITPCOANSA-N 1 0 200.263 0.593 10 0 BCAERO O[C@@H](c1ccns1)[C@@H]1C[NH2+]CCO1 ZINC000575469379 387090623 /nfs/dbraw/zinc/09/06/23/387090623.db2.gz OGEMGVSZBCOPID-POYBYMJQSA-N 1 0 200.263 0.165 10 0 BCAERO O[C@H](c1ccns1)[C@H]1C[NH2+]CCO1 ZINC000575469380 387091661 /nfs/dbraw/zinc/09/16/61/387091661.db2.gz OGEMGVSZBCOPID-SVRRBLITSA-N 1 0 200.263 0.165 10 0 BCAERO C[C@@H]1CN(C(=O)N[C@H]2CCOC2)C[C@@H]1[NH+](C)C ZINC000228791602 387115051 /nfs/dbraw/zinc/11/50/51/387115051.db2.gz PNEJNORVSUMQHZ-VWYCJHECSA-N 1 0 241.335 0.367 10 0 BCAERO [NH3+]CCC[C@@H]([NH3+])c1ccc(O)c(C(=O)[O-])c1 ZINC000575439802 387125442 /nfs/dbraw/zinc/12/54/42/387125442.db2.gz XNMNKSMENLCERL-SECBINFHSA-N 1 0 224.260 0.829 10 0 BCAERO COC[C@@H](C)C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000186735031 387129032 /nfs/dbraw/zinc/12/90/32/387129032.db2.gz ZUDPLHMNMFYNOE-SNVBAGLBSA-N 1 0 228.336 0.822 10 0 BCAERO Cn1ncc(NCC[NH3+])c1Br ZINC000575478294 387160519 /nfs/dbraw/zinc/16/05/19/387160519.db2.gz AKGHVIYFQYKEKF-UHFFFAOYSA-N 1 0 219.086 0.553 10 0 BCAERO CNC(=S)N[C@H]1C[N@H+](C)C(C)(C)C1 ZINC000575478408 387162497 /nfs/dbraw/zinc/16/24/97/387162497.db2.gz DKPDSIASPUJEIJ-SSDOTTSWSA-N 1 0 201.339 0.563 10 0 BCAERO CC[C@@](C)(O)C[N@@H+]1CCCN(C)CC1 ZINC000229382436 387167871 /nfs/dbraw/zinc/16/78/71/387167871.db2.gz CHPXNZUIJOOOCN-LLVKDONJSA-N 1 0 200.326 0.785 10 0 BCAERO [NH3+][C@@H]1COCC[C@H]1N1C(=O)c2ccccc2C1=O ZINC000575588434 387186798 /nfs/dbraw/zinc/18/67/98/387186798.db2.gz PTYQGBYYSSLWMI-GHMZBOCLSA-N 1 0 246.266 0.399 10 0 BCAERO CCOC(=O)[C@@H]1CC[C@H]2[NH2+]CCC[C@H]2N1 ZINC000575440628 387134867 /nfs/dbraw/zinc/13/48/67/387134867.db2.gz YLGLLQOJEMREKA-BBBLOLIVSA-N 1 0 212.293 0.422 10 0 BCAERO [NH3+]C[C@@H]1CCCN1C(=O)NCC1CCC1 ZINC000098168230 387265905 /nfs/dbraw/zinc/26/59/05/387265905.db2.gz ZEUJTCHGXWMIIV-JTQLQIEISA-N 1 0 211.309 0.919 10 0 BCAERO C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC(F)(F)CN2)C1 ZINC000645685076 387267721 /nfs/dbraw/zinc/26/77/21/387267721.db2.gz SNQJRGLJHWYQHG-DTWKUNHWSA-N 1 0 247.289 0.194 10 0 BCAERO Cn1c(Cl)ncc1[C@H](O)C1([NH3+])CC1 ZINC000575491441 387276651 /nfs/dbraw/zinc/27/66/51/387276651.db2.gz CFBVIPNOIAPYKT-LURJTMIESA-N 1 0 201.657 0.598 10 0 BCAERO [NH3+]C1CC(C(=O)N[C@H]2CCSC2)C1 ZINC000575491052 387277473 /nfs/dbraw/zinc/27/74/73/387277473.db2.gz BAKUIBQMWPMRKA-RRQHEKLDSA-N 1 0 200.307 0.345 10 0 BCAERO C[C@H](C[C@H](C)[NH3+])Nc1cnn(C)c(=O)c1Cl ZINC000320840215 387318189 /nfs/dbraw/zinc/31/81/89/387318189.db2.gz LBLRGMZUZZCALQ-NKWVEPMBSA-N 1 0 244.726 0.971 10 0 BCAERO CC(C)OC[C@H](O)C[NH2+][C@H]1CCC(=O)N[C@H]1C ZINC000392925777 387301460 /nfs/dbraw/zinc/30/14/60/387301460.db2.gz MENUZGHJFRJARJ-AXFHLTTASA-N 1 0 244.335 0.029 10 0 BCAERO C[C@@H]1C[C@H]([NH2+][C@H]2CCC(=O)N[C@H]2C)CCN1C ZINC000392942947 387302694 /nfs/dbraw/zinc/30/26/94/387302694.db2.gz QRBDWZXZFHWXFC-KXNHARMFSA-N 1 0 239.363 0.726 10 0 BCAERO CC[C@H](C)NC(=O)C[NH2+][C@H]1CCC(=O)N[C@H]1C ZINC000392949674 387305488 /nfs/dbraw/zinc/30/54/88/387305488.db2.gz ZFISJHMMGYINTE-GUBZILKMSA-N 1 0 241.335 0.158 10 0 BCAERO C[C@H]1NC(=O)CC[C@@H]1[NH2+]Cc1ccc(CO)cc1 ZINC000392990827 387306253 /nfs/dbraw/zinc/30/62/53/387306253.db2.gz ZACOOTRMTWYCGY-MFKMUULPSA-N 1 0 248.326 0.936 10 0 BCAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]CC(=O)NC(C)(C)C ZINC000393002395 387307957 /nfs/dbraw/zinc/30/79/57/387307957.db2.gz LVWUMMSLEOOUSF-DTWKUNHWSA-N 1 0 241.335 0.158 10 0 BCAERO [NH3+][C@@]1([C@@H](O)c2cnsc2)CCOC1 ZINC000575504204 387356596 /nfs/dbraw/zinc/35/65/96/387356596.db2.gz FJGXUJDUGGRACO-YUMQZZPRSA-N 1 0 200.263 0.294 10 0 BCAERO O=C(NCc1ccccc1)[C@@]12C[C@@H]1C[NH2+]C2 ZINC000575504363 387358721 /nfs/dbraw/zinc/35/87/21/387358721.db2.gz IQPUSCFHCXOQOM-DGCLKSJQSA-N 1 0 216.284 0.912 10 0 BCAERO [NH3+]Cc1nn2c(c1Br)OCCC2 ZINC000575602565 387372648 /nfs/dbraw/zinc/37/26/48/387372648.db2.gz TXDVKDFCHIJKMQ-UHFFFAOYSA-N 1 0 232.081 0.887 10 0 BCAERO CC(C)N(C)C(=O)NC[C@H](C)N1CCOCC1 ZINC000121523546 387375049 /nfs/dbraw/zinc/37/50/49/387375049.db2.gz ZEWSYSGMHZMLTM-NSHDSACASA-N 1 0 243.351 0.757 10 0 BCAERO Cn1ncc(Br)c1[C@H]1C[C@H]([NH3+])CO1 ZINC000575507497 387376216 /nfs/dbraw/zinc/37/62/16/387376216.db2.gz HWUMOAVUDFVBCF-CAHLUQPWSA-N 1 0 246.108 0.971 10 0 BCAERO [NH3+][C@@]1(CN2C(=O)c3ccccc3C2=O)CCOC1 ZINC000575510637 387382407 /nfs/dbraw/zinc/38/24/07/387382407.db2.gz ICNQRALTHMMYEZ-CYBMUJFWSA-N 1 0 246.266 0.400 10 0 BCAERO [NH3+][C@@H]1CCN(CC2SCCS2)C1=O ZINC000575497937 387326933 /nfs/dbraw/zinc/32/69/33/387326933.db2.gz PHVAAGYMHJFAMB-ZCFIWIBFSA-N 1 0 218.347 0.352 10 0 BCAERO c1cn2c(n1)C[C@H](C[NH2+][C@@H]1CCOC1)CC2 ZINC000368432908 387351921 /nfs/dbraw/zinc/35/19/21/387351921.db2.gz KQLUQGGUNZWAIK-GHMZBOCLSA-N 1 0 221.304 0.824 10 0 BCAERO c1cn2c(n1)C[C@@H](C[NH2+][C@H]1CCOC1)CC2 ZINC000368432910 387352056 /nfs/dbraw/zinc/35/20/56/387352056.db2.gz KQLUQGGUNZWAIK-QWRGUYRKSA-N 1 0 221.304 0.824 10 0 BCAERO C[C@@H]([NH3+])[C@@H](C)C1CCS(=O)(=O)CC1 ZINC000575516796 387424090 /nfs/dbraw/zinc/42/40/90/387424090.db2.gz CCROYZDYOYRIGA-HTQZYQBOSA-N 1 0 205.323 0.795 10 0 BCAERO [NH3+]C[C@@H]1CO[C@@]2(CCCSCC2)O1 ZINC000575516973 387426704 /nfs/dbraw/zinc/42/67/04/387426704.db2.gz BSDGGLZFFNMMJA-BDAKNGLRSA-N 1 0 203.307 0.974 10 0 BCAERO C[C@@]1([C@@H]2C[NH2+]CCO2)NCCCS1 ZINC000575517142 387429145 /nfs/dbraw/zinc/42/91/45/387429145.db2.gz GLZZRRCIDOJVRE-DTWKUNHWSA-N 1 0 202.323 0.418 10 0 BCAERO C[C@@]1([C@H]2C[NH2+]CCO2)NCCCS1 ZINC000575517144 387430041 /nfs/dbraw/zinc/43/00/41/387430041.db2.gz GLZZRRCIDOJVRE-RKDXNWHRSA-N 1 0 202.323 0.418 10 0 BCAERO CCn1c(C)nnc1CN1CC[C@@H]([NH3+])C[C@@H]1C ZINC000515863090 387431805 /nfs/dbraw/zinc/43/18/05/387431805.db2.gz GSUJMYHRDMTQJY-GXSJLCMTSA-N 1 0 237.351 0.918 10 0 BCAERO [NH3+]C[C@H](O)c1cccnc1Br ZINC000575518118 387436838 /nfs/dbraw/zinc/43/68/38/387436838.db2.gz LBFTUFUJTISRMJ-LURJTMIESA-N 1 0 217.066 0.836 10 0 BCAERO CC(=C1CCS(=O)(=O)CC1)[C@@H](C)[NH3+] ZINC000575518207 387437140 /nfs/dbraw/zinc/43/71/40/387437140.db2.gz QPBQSSNISBQTBT-MRVPVSSYSA-N 1 0 203.307 0.859 10 0 BCAERO Cn1ccnc1C[NH2+][C@@H]1CCC[C@H](O)C1 ZINC000051923437 387450329 /nfs/dbraw/zinc/45/03/29/387450329.db2.gz XIOSQIJNWUMDOG-ZJUUUORDSA-N 1 0 209.293 0.813 10 0 BCAERO Cn1ncc(NC(=O)CC[NH3+])c1Cl ZINC000575523952 387457297 /nfs/dbraw/zinc/45/72/97/387457297.db2.gz ZYWIMCADEWRXLY-UHFFFAOYSA-N 1 0 202.645 0.361 10 0 BCAERO C[C@@H]1CSCCN1C1(C[NH3+])COC1 ZINC000575514220 387387142 /nfs/dbraw/zinc/38/71/42/387387142.db2.gz WOMUXPHVRYMIAG-MRVPVSSYSA-N 1 0 202.323 0.151 10 0 BCAERO Cn1ncc(Cl)c1[C@@H]1C[C@H]([NH3+])CO1 ZINC000575508928 387391937 /nfs/dbraw/zinc/39/19/37/387391937.db2.gz QSIZOPXUICFVLP-FSPLSTOPSA-N 1 0 201.657 0.862 10 0 BCAERO Cn1c(Cl)cnc1[C@H]1C[C@H]([NH3+])CO1 ZINC000575508776 387392413 /nfs/dbraw/zinc/39/24/13/387392413.db2.gz SLEOBYYWNWJAMR-NTSWFWBYSA-N 1 0 201.657 0.862 10 0 BCAERO CO[C@H]1C[NH2+][C@@H](C(=O)N2CCCCCC2)C1 ZINC000040629561 387499550 /nfs/dbraw/zinc/49/95/50/387499550.db2.gz PDPQDSDSMVODFU-GHMZBOCLSA-N 1 0 226.320 0.766 10 0 BCAERO Cn1nnc(Br)c1[C@@H]1COC[C@@H]1[NH3+] ZINC000575529844 387543431 /nfs/dbraw/zinc/54/34/31/387543431.db2.gz FFQVCBYBKYTPLB-UHNVWZDZSA-N 1 0 247.096 0.019 10 0 BCAERO O=C1OC2(CC[NH2+]CC2)c2ncccc21 ZINC000230538964 387512841 /nfs/dbraw/zinc/51/28/41/387512841.db2.gz ZJEXQBQJGSAHBT-UHFFFAOYSA-N 1 0 204.229 0.831 10 0 BCAERO C[C@@H](C[NH3+])n1nncc1Br ZINC000575525232 387526402 /nfs/dbraw/zinc/52/64/02/387526402.db2.gz YFCUZMVXGMLZTQ-BYPYZUCNSA-N 1 0 205.059 0.560 10 0 BCAERO CC(C)C[C@@H]([NH3+])C(=O)N[C@H]1CCCN(C)C1=O ZINC000648084989 387535012 /nfs/dbraw/zinc/53/50/12/387535012.db2.gz NONCUEBWCPVNIV-ZJUUUORDSA-N 1 0 241.335 0.097 10 0 BCAERO Cc1noc2ncnc(NCC(F)(F)CN)c12 ZINC000162687720 387539187 /nfs/dbraw/zinc/53/91/87/387539187.db2.gz DTCUMJXOUZDRCW-UHFFFAOYSA-N 1 0 243.217 0.932 10 0 BCAERO Cn1c(Cl)ncc1[C@H]1COC[C@H]1[NH3+] ZINC000575529919 387539457 /nfs/dbraw/zinc/53/94/57/387539457.db2.gz GNNPZVIVCMITIK-NTSWFWBYSA-N 1 0 201.657 0.515 10 0 BCAERO CC(C)=CC[C@]1([NH3+])CCS(=O)(=O)C1 ZINC000575529499 387541118 /nfs/dbraw/zinc/54/11/18/387541118.db2.gz XLSBGIIEIKUSBG-VIFPVBQESA-N 1 0 203.307 0.859 10 0 BCAERO CC1(C)C[C@@H]1C(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000424045205 387470901 /nfs/dbraw/zinc/47/09/01/387470901.db2.gz MKOCCLYVCIUHKN-KXUCPTDWSA-N 1 0 224.304 0.232 10 0 BCAERO C[NH+](C)CC(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000193553743 387488557 /nfs/dbraw/zinc/48/85/57/387488557.db2.gz JWMTUJQBNBGZHW-GHMZBOCLSA-N 1 0 226.320 0.718 10 0 BCAERO COC(=O)[C@H](C1CC1)N1C[C@H]([NH+](C)C)[C@@H](C)C1 ZINC000124408381 387615830 /nfs/dbraw/zinc/61/58/30/387615830.db2.gz TZSSHZCZWOGCQV-DLOVCJGASA-N 1 0 240.347 0.820 10 0 BCAERO O=C(NC1CCC1)[C@@H]1C[NH2+]CCS1 ZINC000575534061 387556463 /nfs/dbraw/zinc/55/64/63/387556463.db2.gz NBSJJCIZQJFJNE-QMMMGPOBSA-N 1 0 200.307 0.360 10 0 BCAERO CO[C@@H]1CCCC[C@]12C[NH2+]C[C@H]2C(N)=O ZINC000300214613 387652256 /nfs/dbraw/zinc/65/22/56/387652256.db2.gz SRFXGBQXHJNKFL-IQJOONFLSA-N 1 0 212.293 0.267 10 0 BCAERO COC[C@H](O)C[NH+]1[C@@H](C)COC[C@@H]1C ZINC000127045579 387704491 /nfs/dbraw/zinc/70/44/91/387704491.db2.gz HCMCQSVZYLTOKE-LPEHRKFASA-N 1 0 203.282 0.103 10 0 BCAERO CC(C)[C@]1([NH3+])CCC[C@H]1S(C)(=O)=O ZINC000575561846 387706547 /nfs/dbraw/zinc/70/65/47/387706547.db2.gz UWRAMJIQTQRHSX-RKDXNWHRSA-N 1 0 205.323 0.937 10 0 BCAERO Cc1cc(C[NH2+][C@@H]2CCC(=O)N[C@H]2C)nn1C ZINC000440966454 387719609 /nfs/dbraw/zinc/71/96/09/387719609.db2.gz YGVNUCCQQFCBAA-GXSJLCMTSA-N 1 0 236.319 0.485 10 0 BCAERO [NH3+][C@@H](c1cscn1)[C@@H]1COCCO1 ZINC000306304678 387729159 /nfs/dbraw/zinc/72/91/59/387729159.db2.gz IIRWMPFCENKXMR-YUMQZZPRSA-N 1 0 200.263 0.558 10 0 BCAERO [NH3+]C1CC(CN2CCSCC2=O)C1 ZINC000575565830 387733488 /nfs/dbraw/zinc/73/34/88/387733488.db2.gz FGFFRMNPNNNKHL-UHFFFAOYSA-N 1 0 200.307 0.299 10 0 BCAERO C[NH+](C)C[C@H]1CN(CC2=CCCOC2)CCO1 ZINC000128067211 387734953 /nfs/dbraw/zinc/73/49/53/387734953.db2.gz OVECQTADTLXSIS-ZDUSSCGKSA-N 1 0 240.347 0.596 10 0 BCAERO O=C1NCCC[C@@H]1[NH2+]Cc1cccc(O)c1 ZINC000050394530 387793992 /nfs/dbraw/zinc/79/39/92/387793992.db2.gz XZEIDGHIYCUNBU-NSHDSACASA-N 1 0 220.272 0.760 10 0 BCAERO Cc1cccc(N2CCO[C@H]([C@@H](C)[NH3+])C2)n1 ZINC000169211600 387794586 /nfs/dbraw/zinc/79/45/86/387794586.db2.gz CUMQBWRNSZCMMZ-MNOVXSKESA-N 1 0 221.304 0.942 10 0 BCAERO OCC[C@@H]1CC[N@H+](C[C@@H](O)C(F)(F)F)C1 ZINC000228685887 387795824 /nfs/dbraw/zinc/79/58/24/387795824.db2.gz PZHGJPWLKOBBHN-JGVFFNPUSA-N 1 0 227.226 0.614 10 0 BCAERO CCC[C@H]([NH3+])C(=O)NCC[C@H](O)CC ZINC000157445713 387796872 /nfs/dbraw/zinc/79/68/72/387796872.db2.gz YZHBHPUDTLBZCN-BDAKNGLRSA-N 1 0 202.298 0.391 10 0 BCAERO CCc1nsc(N2CCO[C@@H]([C@@H](C)[NH3+])C2)n1 ZINC000169217018 387801004 /nfs/dbraw/zinc/80/10/04/387801004.db2.gz RSVOZMWXNYOPRL-HTQZYQBOSA-N 1 0 242.348 0.653 10 0 BCAERO COCC1(NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000309506209 387813243 /nfs/dbraw/zinc/81/32/43/387813243.db2.gz VYYCAENCLQIQII-RKDXNWHRSA-N 1 0 212.293 0.409 10 0 BCAERO CC[N@@H+]1CCC[C@H](Nc2nccn(C)c2=O)C1 ZINC000061751306 387845756 /nfs/dbraw/zinc/84/57/56/387845756.db2.gz KSYUMUFSFLKNOU-JTQLQIEISA-N 1 0 236.319 0.677 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N1CCn2ccnc2C1 ZINC000062254820 387852516 /nfs/dbraw/zinc/85/25/16/387852516.db2.gz XTFSJFMMROGVJL-VIFPVBQESA-N 1 0 222.292 0.353 10 0 BCAERO Cc1cc(C(=O)NC[C@H]2CN(C)CCO2)on1 ZINC000194628501 387888284 /nfs/dbraw/zinc/88/82/84/387888284.db2.gz OAASXJZPQVOZRB-VIFPVBQESA-N 1 0 239.275 0.043 10 0 BCAERO Cc1ccc(C(=O)NC[C@H]2CN(C)CCO2)o1 ZINC000194638723 387888329 /nfs/dbraw/zinc/88/83/29/387888329.db2.gz ISYJPIXWTUSLGK-JTQLQIEISA-N 1 0 238.287 0.648 10 0 BCAERO CC[NH+](CC)CC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000195335862 387918003 /nfs/dbraw/zinc/91/80/03/387918003.db2.gz GLMQEZRRNKJWHX-GFCCVEGCSA-N 1 0 239.363 0.635 10 0 BCAERO COC[C@H](C)NC(=O)[C@H]1CCC[NH2+]C1 ZINC000019412884 387906881 /nfs/dbraw/zinc/90/68/81/387906881.db2.gz MNNYNTGMALYWCP-IUCAKERBSA-N 1 0 200.282 0.137 10 0 BCAERO COC[C@H](C)NC(=O)[C@@H]1CCC[NH2+]C1 ZINC000019412880 387907411 /nfs/dbraw/zinc/90/74/11/387907411.db2.gz MNNYNTGMALYWCP-DTWKUNHWSA-N 1 0 200.282 0.137 10 0 BCAERO C[C@@H](C[NH3+])N1CC(F)(F)C(F)(F)C1 ZINC000306366579 387914769 /nfs/dbraw/zinc/91/47/69/387914769.db2.gz CLXKYUVFCBLZMS-YFKPBYRVSA-N 1 0 200.179 0.920 10 0 BCAERO C[C@@H]([NH3+])c1cn(Cc2cnns2)nn1 ZINC000306365498 387915992 /nfs/dbraw/zinc/91/59/92/387915992.db2.gz CKBIRAZPRASGDQ-RXMQYKEDSA-N 1 0 210.266 0.198 10 0 BCAERO CO[C@@H]1C[C@@H](N[C@H]2CC[NH2+]C2)C12CCC2 ZINC000423167230 387952221 /nfs/dbraw/zinc/95/22/21/387952221.db2.gz DVQSIEIAWHLGKF-HBNTYKKESA-N 1 0 210.321 0.896 10 0 BCAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@H]1CCOC1 ZINC000245438605 387945557 /nfs/dbraw/zinc/94/55/57/387945557.db2.gz YGVROPSXEDLUQQ-NWDGAFQWSA-N 1 0 240.347 0.966 10 0 BCAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@H]1CCOC1 ZINC000245438607 387946316 /nfs/dbraw/zinc/94/63/16/387946316.db2.gz YGVROPSXEDLUQQ-RYUDHWBXSA-N 1 0 240.347 0.966 10 0 BCAERO Cc1cnn([C@@H]2CCC[N@@H+]([C@H]3CCNC3=O)C2)c1 ZINC000245677238 387970816 /nfs/dbraw/zinc/97/08/16/387970816.db2.gz IFBRQONHVLKXAL-NEPJUHHUSA-N 1 0 248.330 0.717 10 0 BCAERO CCN(CCC(F)(F)F)C(=O)[C@H]([NH3+])COC ZINC000645814352 387988822 /nfs/dbraw/zinc/98/88/22/387988822.db2.gz JYCWQXMRWAOZTI-SSDOTTSWSA-N 1 0 242.241 0.761 10 0 BCAERO CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](C)COC ZINC000245821837 387986791 /nfs/dbraw/zinc/98/67/91/387986791.db2.gz MBHDMVDKSNVPPS-GHMZBOCLSA-N 1 0 228.336 0.869 10 0 BCAERO C[C@@H]1CC[C@@H](C(=O)N2CC[N@@H+]3CCC[C@H]3C2)O1 ZINC000246061288 388005021 /nfs/dbraw/zinc/00/50/21/388005021.db2.gz RETKPYDKEFSNRG-WOPDTQHZSA-N 1 0 238.331 0.861 10 0 BCAERO CCOC(=O)CCCNC(=O)[C@H]1C[NH2+]C[C@@H]1C ZINC000081524625 388009899 /nfs/dbraw/zinc/00/98/99/388009899.db2.gz JQNBMAYYDUPFFE-UWVGGRQHSA-N 1 0 242.319 0.301 10 0 BCAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1CC(=O)NC ZINC000246207783 388020918 /nfs/dbraw/zinc/02/09/18/388020918.db2.gz BYHCOTSUQUTXTM-MNOVXSKESA-N 1 0 225.336 0.291 10 0 BCAERO CC[C@H](O)C[N@@H+]1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000246213678 388021771 /nfs/dbraw/zinc/02/17/71/388021771.db2.gz YVEAECSXHCYZJC-AGIUHOORSA-N 1 0 242.363 0.410 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCOC(C)(C)C1 ZINC000082559392 388036740 /nfs/dbraw/zinc/03/67/40/388036740.db2.gz KSUHCEUYMIQHSL-NXEZZACHSA-N 1 0 226.320 0.479 10 0 BCAERO Cc1csc(CNC(=O)[C@@H]2C[NH2+]C[C@H]2C)n1 ZINC000082559602 388037400 /nfs/dbraw/zinc/03/74/00/388037400.db2.gz VPTWPDRWXXFYST-VXNVDRBHSA-N 1 0 239.344 0.923 10 0 BCAERO Cc1cc2c(NCCC[NH3+])nccn2n1 ZINC000156925012 388062314 /nfs/dbraw/zinc/06/23/14/388062314.db2.gz QUSQFRHBXRCQGV-UHFFFAOYSA-N 1 0 205.265 0.798 10 0 BCAERO CC[NH+]1CCN(Cc2nnc(C3CC3)n2C)CC1 ZINC000195007032 388082517 /nfs/dbraw/zinc/08/25/17/388082517.db2.gz FGFDQUMZORHQPO-UHFFFAOYSA-N 1 0 249.362 0.830 10 0 BCAERO Cc1cc(NC(=O)[C@@H]2CC[C@H]([NH3+])C2)n(C)n1 ZINC000085009293 388082873 /nfs/dbraw/zinc/08/28/73/388082873.db2.gz NOUHFDFBHKJRRV-BDAKNGLRSA-N 1 0 222.292 0.794 10 0 BCAERO COC[C@@H]1CCN(C(=O)[C@H]2CC[C@H]([NH3+])C2)C1 ZINC000085013804 388083098 /nfs/dbraw/zinc/08/30/98/388083098.db2.gz ONABNKZSDUWUNP-VWYCJHECSA-N 1 0 226.320 0.609 10 0 BCAERO C[NH2+]C[C@H]1CCCN1c1ccnc(N(C)C)n1 ZINC000085432506 388088428 /nfs/dbraw/zinc/08/84/28/388088428.db2.gz NZNZCKKDFZJTLR-SNVBAGLBSA-N 1 0 235.335 0.731 10 0 BCAERO C[C@H](CS(C)(=O)=O)[NH2+]C[C@@H]1CCCC[C@@H]1O ZINC000082992258 388044907 /nfs/dbraw/zinc/04/49/07/388044907.db2.gz JRWNMEABOFKACH-VWYCJHECSA-N 1 0 249.376 0.560 10 0 BCAERO C[C@H](CS(C)(=O)=O)[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000082992262 388044991 /nfs/dbraw/zinc/04/49/91/388044991.db2.gz JRWNMEABOFKACH-MXWKQRLJSA-N 1 0 249.376 0.560 10 0 BCAERO COC[C@@H]1CCCN1C(=O)C[C@H]([NH3+])C(C)C ZINC000646156942 388157918 /nfs/dbraw/zinc/15/79/18/388157918.db2.gz BJWVWUHEGJZVPJ-QWRGUYRKSA-N 1 0 228.336 0.997 10 0 BCAERO COC[C@@H]1CCCN1C(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000646157314 388158004 /nfs/dbraw/zinc/15/80/04/388158004.db2.gz PKGDJCYHOVVVBN-AXFHLTTASA-N 1 0 226.320 0.751 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N1[C@H](C)COC[C@H]1C ZINC000449291684 388168424 /nfs/dbraw/zinc/16/84/24/388168424.db2.gz NJZJKBNMDTXQBI-GWOFURMSSA-N 1 0 226.320 0.478 10 0 BCAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)[C@@H]1CCCS1 ZINC000261528432 135153848 /nfs/dbraw/zinc/15/38/48/135153848.db2.gz LPWQNLMENIBKSB-VGMNWLOBSA-N 1 0 214.334 0.830 10 0 BCAERO CC1(C)C[NH2+][C@@H]1C(=O)N1CCn2ccnc2C1 ZINC000646043912 388130981 /nfs/dbraw/zinc/13/09/81/388130981.db2.gz RJWDMALPZNIVQW-SNVBAGLBSA-N 1 0 234.303 0.223 10 0 BCAERO COC[C@H]1CN(C(=O)C[C@@H]([NH3+])C(C)C)CCO1 ZINC000646075027 388137305 /nfs/dbraw/zinc/13/73/05/388137305.db2.gz LHGLUDQYTWCHJR-GHMZBOCLSA-N 1 0 244.335 0.234 10 0 BCAERO COC[C@H]1CN(C(=O)C[C@H]([NH3+])C(C)C)CCO1 ZINC000646075028 388137787 /nfs/dbraw/zinc/13/77/87/388137787.db2.gz LHGLUDQYTWCHJR-MNOVXSKESA-N 1 0 244.335 0.234 10 0 BCAERO CCCCOC[C@H](O)C[NH2+][C@H]1CCC[C@@H]1O ZINC000323173985 388253598 /nfs/dbraw/zinc/25/35/98/388253598.db2.gz NMLDCVVCZWRYEX-WOPDTQHZSA-N 1 0 231.336 0.667 10 0 BCAERO CN1CCO[C@H](CNC(=O)/C=C\c2ccc[nH]2)C1 ZINC000491992183 388331025 /nfs/dbraw/zinc/33/10/25/388331025.db2.gz SRSVSDCMJJIPLJ-QMAVJUDZSA-N 1 0 249.314 0.475 10 0 BCAERO Cc1c(C[NH2+]CC(C)(C)OCCO)cnn1C ZINC000288482907 388404034 /nfs/dbraw/zinc/40/40/34/388404034.db2.gz PXOHSWFFQWPRAZ-UHFFFAOYSA-N 1 0 241.335 0.606 10 0 BCAERO C[C@@H]1CN(C(=O)[C@@H]2[C@H](C)O[C@H](C)[C@H]2C)C[C@H]1[NH3+] ZINC000300047554 388346231 /nfs/dbraw/zinc/34/62/31/388346231.db2.gz DZIWVWGHGOEIBJ-MOCCIAMBSA-N 1 0 240.347 0.852 10 0 BCAERO [NH3+]C[C@H]1CO[C@@]2(CCCSCC2)O1 ZINC000575516977 388353749 /nfs/dbraw/zinc/35/37/49/388353749.db2.gz BSDGGLZFFNMMJA-IUCAKERBSA-N 1 0 203.307 0.974 10 0 BCAERO N[C@@]1(c2nnc[nH]2)CC[N@H+](Cc2ccccc2)C1 ZINC000575525001 388359307 /nfs/dbraw/zinc/35/93/07/388359307.db2.gz VZDZZJXKBDLXCP-ZDUSSCGKSA-N 1 0 243.314 0.865 10 0 BCAERO CC(C)OCCNC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000646460483 388361713 /nfs/dbraw/zinc/36/17/13/388361713.db2.gz OOAXACBRZXJCHF-DTWKUNHWSA-N 1 0 218.272 0.228 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@@H]1CCO[C@H](C)C1 ZINC000235437387 388369519 /nfs/dbraw/zinc/36/95/19/388369519.db2.gz ZBDNDBOEDQSGBH-GWOFURMSSA-N 1 0 226.320 0.526 10 0 BCAERO COCc1csc(NC(=O)[C@H]2CCC[NH2+]2)n1 ZINC000237233369 388391613 /nfs/dbraw/zinc/39/16/13/388391613.db2.gz IJNYKBVHSFPDJK-MRVPVSSYSA-N 1 0 241.316 0.980 10 0 BCAERO CN(CCOCC[NH3+])c1ncc(Cl)cn1 ZINC000300936993 388392819 /nfs/dbraw/zinc/39/28/19/388392819.db2.gz CUJKCMNAFVPJFL-UHFFFAOYSA-N 1 0 230.699 0.542 10 0 BCAERO Cc1cc(C[NH3+])cc(NC(=O)[C@H]2CNC(=O)C2)c1 ZINC000322736456 388445020 /nfs/dbraw/zinc/44/50/20/388445020.db2.gz VTEDFJQKXBZFRM-SNVBAGLBSA-N 1 0 247.298 0.528 10 0 BCAERO O=c1[nH]c(N[C@@H]2CC[NH2+]C2)nc2ccccc21 ZINC000073668233 388461955 /nfs/dbraw/zinc/46/19/55/388461955.db2.gz QKKKOGDBFPBWSX-MRVPVSSYSA-N 1 0 230.271 0.697 10 0 BCAERO CC[C@@H](C(=O)OC)N1CCC[C@H](NC(C)=O)C1 ZINC000193882527 388468295 /nfs/dbraw/zinc/46/82/95/388468295.db2.gz KUEUZODQCWZOCA-QWRGUYRKSA-N 1 0 242.319 0.539 10 0 BCAERO C[C@H]1[C@@H](O)CCC[N@@H+]1CCn1cccn1 ZINC000296165496 388418484 /nfs/dbraw/zinc/41/84/84/388418484.db2.gz KTNHBALQOCDYNC-QWRGUYRKSA-N 1 0 209.293 0.728 10 0 BCAERO CC[C@](C)(O)C[N@H+]1C[C@H](O)C[C@H](C)C1 ZINC000307262121 388422069 /nfs/dbraw/zinc/42/20/69/388422069.db2.gz RHJGWTFZMGZSIQ-AXFHLTTASA-N 1 0 201.310 0.850 10 0 BCAERO C[C@H]1CC[C@H](O)C[N@@H+]1CCC(C)(C)O ZINC000307238908 388422140 /nfs/dbraw/zinc/42/21/40/388422140.db2.gz FUJBAPNZXJKTAK-UWVGGRQHSA-N 1 0 201.310 0.993 10 0 BCAERO CO[C@@H]1C[C@H](CO)[N@H+](Cc2ncccc2C)C1 ZINC000339083085 388479773 /nfs/dbraw/zinc/47/97/73/388479773.db2.gz YKYUHNLRSVDGMN-VXGBXAGGSA-N 1 0 236.315 0.972 10 0 BCAERO C[NH+](C)[C@@H]1CCN(C(=O)Cc2cc[nH]n2)C1 ZINC000173977787 388433790 /nfs/dbraw/zinc/43/37/90/388433790.db2.gz GRQOUURYICBMPX-SNVBAGLBSA-N 1 0 222.292 0.115 10 0 BCAERO C[C@@H]1C[C@@H]1[NH2+][C@H]1CCCS(=O)(=O)C1 ZINC000246163726 388439315 /nfs/dbraw/zinc/43/93/15/388439315.db2.gz MRXAIMKTKXXLTI-VGMNWLOBSA-N 1 0 203.307 0.562 10 0 BCAERO CC(C)C1([NH2+]CCCS(N)(=O)=O)CC1 ZINC000339518054 388485545 /nfs/dbraw/zinc/48/55/45/388485545.db2.gz YPGOLEPIBQEUMY-UHFFFAOYSA-N 1 0 220.338 0.443 10 0 BCAERO C[C@@H]([NH2+]CCn1cncn1)[C@]1(C)CCCO1 ZINC000340195640 388489170 /nfs/dbraw/zinc/48/91/70/388489170.db2.gz UWMHCCHEDQVGGJ-MNOVXSKESA-N 1 0 224.308 0.825 10 0 BCAERO CCCCNC(=O)[C@H](C)[NH2+][C@@H](C)COC ZINC000034938788 388493059 /nfs/dbraw/zinc/49/30/59/388493059.db2.gz KSVCGYWXXXKHQY-UWVGGRQHSA-N 1 0 216.325 0.916 10 0 BCAERO C[C@@H]1CN(c2ncnc3nc[nH]c32)C[C@@]1(C)C[NH3+] ZINC000311208381 388494445 /nfs/dbraw/zinc/49/44/45/388494445.db2.gz NWBWKNGJQJGAJD-PRHODGIISA-N 1 0 246.318 0.774 10 0 BCAERO CO[C@H]1C[C@@H](CO)[N@H+](Cc2cncn2C)C1 ZINC000344153954 388505695 /nfs/dbraw/zinc/50/56/95/388505695.db2.gz VWPRHCYTDHKEJY-ONGXEEELSA-N 1 0 225.292 0.002 10 0 BCAERO CO[C@@H]1C[C@H](CO)[N@H+](C[C@@H]2CC[C@H](C)O2)C1 ZINC000344711626 388508855 /nfs/dbraw/zinc/50/88/55/388508855.db2.gz MDSKITCWAFDMNJ-WHOHXGKFSA-N 1 0 229.320 0.636 10 0 BCAERO CO[C@@H]1C[C@H](CO)N(CC[NH+]2CCCCC2)C1 ZINC000344693566 388509052 /nfs/dbraw/zinc/50/90/52/388509052.db2.gz ALOBFTOGSFCVJA-CHWSQXEVSA-N 1 0 242.363 0.554 10 0 BCAERO CC[N@@H+]1CCC[C@H](NC(=O)NC2CC2)C1 ZINC000136143352 388524351 /nfs/dbraw/zinc/52/43/51/388524351.db2.gz GBORHWDNKBJAFZ-JTQLQIEISA-N 1 0 211.309 0.932 10 0 BCAERO CC1(C)CC(C[N@@H+]2CCC[C@@](O)(C(N)=O)C2)C1 ZINC000528507070 388536722 /nfs/dbraw/zinc/53/67/22/388536722.db2.gz UKKWTHCAKROULC-ZDUSSCGKSA-N 1 0 240.347 0.735 10 0 BCAERO C[N@@H+]1CCC[C@@H]1CCSC[C@@H](O)CO ZINC000245597130 388592617 /nfs/dbraw/zinc/59/26/17/388592617.db2.gz HSPAWQWIXMNESK-ZJUUUORDSA-N 1 0 219.350 0.557 10 0 BCAERO C[C@H](NC(=O)[C@H]1C[NH2+]CCOC1)c1cccnc1 ZINC000649307385 388593015 /nfs/dbraw/zinc/59/30/15/388593015.db2.gz LIBPVVLMLQPCSE-JQWIXIFHSA-N 1 0 249.314 0.495 10 0 BCAERO Cc1cccnc1CNC(=O)[C@@H]1C[NH2+]CCOC1 ZINC000649312618 388598435 /nfs/dbraw/zinc/59/84/35/388598435.db2.gz AUKQUKUSPSDRNJ-LLVKDONJSA-N 1 0 249.314 0.242 10 0 BCAERO CC(C)[C@H](C)NC(=O)CN1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631842935 388611186 /nfs/dbraw/zinc/61/11/86/388611186.db2.gz HPPQFMROMVSFKI-SRVKXCTJSA-N 1 0 241.379 0.674 10 0 BCAERO C[C@H](O)CN1CC[N@H+](CC2CC2)C[C@H]1C ZINC000246051113 388614823 /nfs/dbraw/zinc/61/48/23/388614823.db2.gz QCTXGEYVXPYXMS-MNOVXSKESA-N 1 0 212.337 0.783 10 0 BCAERO CO[C@H](CNC(=O)[C@H]1C[NH2+]C[C@@H]1C)C(C)C ZINC000362978102 388562919 /nfs/dbraw/zinc/56/29/19/388562919.db2.gz XLFKAUCRDRRMCT-GARJFASQSA-N 1 0 228.336 0.629 10 0 BCAERO C[C@@H]([NH3+])[C@H]1CN(C(=O)C2CC(C)C2)CCO1 ZINC000646841661 388616240 /nfs/dbraw/zinc/61/62/40/388616240.db2.gz ZJOJSRKUEGIJNU-VGRIYTJTSA-N 1 0 226.320 0.607 10 0 BCAERO Cc1cc(Br)cn(CC[NH3+])c1=O ZINC000057832137 177724105 /nfs/dbraw/zinc/72/41/05/177724105.db2.gz ZHOHYYHSZPQEAH-UHFFFAOYSA-N 1 0 231.093 0.878 10 0 BCAERO COCCN1CC[N@H+](C[C@H](C)OC)C[C@@H]1C ZINC000248412919 388678731 /nfs/dbraw/zinc/67/87/31/388678731.db2.gz FTJGWELHZFTSKZ-RYUDHWBXSA-N 1 0 230.352 0.674 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)N[C@H]1CCSC1 ZINC000225490425 388679641 /nfs/dbraw/zinc/67/96/41/388679641.db2.gz LTKPNJAXLXMPAN-JGVFFNPUSA-N 1 0 202.323 0.736 10 0 BCAERO C[C@H](C(N)=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000246133034 388619184 /nfs/dbraw/zinc/61/91/84/388619184.db2.gz CPDKDKLQIFWDRC-ZJUUUORDSA-N 1 0 211.309 0.030 10 0 BCAERO CC[N@@H+]1CCC[C@@H](NC(=O)N[C@H]2CCOC2)C1 ZINC000246602795 388644835 /nfs/dbraw/zinc/64/48/35/388644835.db2.gz HJKFBXJNAVOTQA-MNOVXSKESA-N 1 0 241.335 0.559 10 0 BCAERO CC(C)(C)OC(=O)[C@@H]1CC[C@H]2[NH2+]CC[C@H]2N1 ZINC000252581594 388647181 /nfs/dbraw/zinc/64/71/81/388647181.db2.gz BQVCGYFSPSKALK-BBBLOLIVSA-N 1 0 226.320 0.811 10 0 BCAERO COC(=O)[C@@H]([NH3+])C1CCC2(CC1)OCCO2 ZINC000091691741 388649610 /nfs/dbraw/zinc/64/96/10/388649610.db2.gz CIRIPLWORARIIA-VIFPVBQESA-N 1 0 229.276 0.420 10 0 BCAERO CSCC[N@@H+]1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000247120935 388660001 /nfs/dbraw/zinc/66/00/01/388660001.db2.gz JRQPALODUMCHEY-QWRGUYRKSA-N 1 0 232.393 0.736 10 0 BCAERO Cc1cccc(N2CCN(C)C[C@H]2C[NH3+])n1 ZINC000251171502 388745736 /nfs/dbraw/zinc/74/57/36/388745736.db2.gz PWHYCNXGLBZINM-LLVKDONJSA-N 1 0 220.320 0.469 10 0 BCAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)NCCO ZINC000192899579 388688942 /nfs/dbraw/zinc/68/89/42/388688942.db2.gz HVRYTVNYHQFJPQ-SNVBAGLBSA-N 1 0 231.340 0.254 10 0 BCAERO CCC[C@H]([NH3+])C(=O)NC[C@H](C)C[C@@H](C)O ZINC000161632449 388697251 /nfs/dbraw/zinc/69/72/51/388697251.db2.gz OTKDVRYOTJLKJD-BBBLOLIVSA-N 1 0 216.325 0.637 10 0 BCAERO CC[C@](C)(O)C[N@@H+]1CCN(C[C@@H](C)O)[C@@H](C)C1 ZINC000249094177 388708053 /nfs/dbraw/zinc/70/80/53/388708053.db2.gz HXAUXZJGUXKMHU-XQQFMLRXSA-N 1 0 244.379 0.534 10 0 BCAERO CC[C@](C)(O)C[N@@H+]1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000249094173 388708480 /nfs/dbraw/zinc/70/84/80/388708480.db2.gz HXAUXZJGUXKMHU-AGIUHOORSA-N 1 0 244.379 0.534 10 0 BCAERO CO[C@H]1C[NH2+][C@@H](C(=O)N(C)[C@@H]2CCSC2)C1 ZINC000226687918 388726445 /nfs/dbraw/zinc/72/64/45/388726445.db2.gz HFAJWFGINAGMOW-OPRDCNLKSA-N 1 0 244.360 0.327 10 0 BCAERO COC(=O)CCN1CCC[C@H](C)[C@H]1C[NH3+] ZINC000070177986 388728132 /nfs/dbraw/zinc/72/81/32/388728132.db2.gz DAIZKMVHNKJLOH-VHSXEESVSA-N 1 0 214.309 0.609 10 0 BCAERO Cc1c(C[NH2+]CCC[C@H](C)O)cnn1C ZINC000227953236 388762545 /nfs/dbraw/zinc/76/25/45/388762545.db2.gz QTMUJYGZKCHQHG-VIFPVBQESA-N 1 0 211.309 0.979 10 0 BCAERO CN(C)c1ncc(C[NH2+]CC2CC(O)C2)n1C ZINC000091524475 388765096 /nfs/dbraw/zinc/76/50/96/388765096.db2.gz ZHJBJHVXUPNXLM-UHFFFAOYSA-N 1 0 238.335 0.347 10 0 BCAERO CS[C@H](C)CNC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000228918248 388776300 /nfs/dbraw/zinc/77/63/00/388776300.db2.gz JGBLJZYQBLOJRO-HRDYMLBCSA-N 1 0 216.350 0.982 10 0 BCAERO COC(=O)[C@H](C1CC1)[N@@H+]1C[C@H](C)C[C@@H](O)C1 ZINC000401615107 533226726 /nfs/dbraw/zinc/22/67/26/533226726.db2.gz MTWYLRQUSMAJLP-IEBDPFPHSA-N 1 0 227.304 0.641 10 0 BCAERO [NH3+][C@H]1CCN(c2ccc(Br)nn2)C1 ZINC000575469742 388845253 /nfs/dbraw/zinc/84/52/53/388845253.db2.gz HVDFVLXQYLUCLT-LURJTMIESA-N 1 0 243.108 0.777 10 0 BCAERO CC1CC([NH3+])([C@@H]2CCS(=O)(=O)C2)C1 ZINC000575490546 388909852 /nfs/dbraw/zinc/90/98/52/388909852.db2.gz HOFDYPODZDQNOD-QJAFJHJLSA-N 1 0 203.307 0.549 10 0 BCAERO O=S1(=O)CCC[C@@H]1C[C@@H]1CC[NH2+]C1 ZINC000575496150 388967467 /nfs/dbraw/zinc/96/74/67/388967467.db2.gz KGAKNVRISLQNKK-DTWKUNHWSA-N 1 0 203.307 0.563 10 0 BCAERO C/C(=C/[C@@H]1CCCS1(=O)=O)[C@H](C)[NH3+] ZINC000575497142 388978753 /nfs/dbraw/zinc/97/87/53/388978753.db2.gz WAMJXVRDIOXVDR-YYRDVDDBSA-N 1 0 203.307 0.857 10 0 BCAERO [NH3+][C@@H]1CC[C@H]1C[C@H]1CCCS1(=O)=O ZINC000575497356 388982423 /nfs/dbraw/zinc/98/24/23/388982423.db2.gz XHLRXLCPHKGNJB-DJLDLDEBSA-N 1 0 203.307 0.691 10 0 BCAERO [NH3+][C@]1([C@@H](O)c2ccsn2)CCOC1 ZINC000575504056 388990333 /nfs/dbraw/zinc/99/03/33/388990333.db2.gz CFHLEAQLPHSSAX-JGVFFNPUSA-N 1 0 200.263 0.294 10 0 BCAERO Cn1nnc(Br)c1[C@@H]1C[C@H]([NH3+])CO1 ZINC000575506074 388991499 /nfs/dbraw/zinc/99/14/99/388991499.db2.gz CDYHSHYVQGIUJX-WHFBIAKZSA-N 1 0 247.096 0.366 10 0 BCAERO C[C@@H]([NH3+])[C@@](C)(O)c1cnc(Cl)n1C ZINC000575507827 388992942 /nfs/dbraw/zinc/99/29/42/388992942.db2.gz NVMPAHNLTMCCGV-SVGQVSJJSA-N 1 0 203.673 0.628 10 0 BCAERO Cc1c(C[NH2+][C@@H]2CC(=O)N(C)C2)cnn1C ZINC000270277825 389011106 /nfs/dbraw/zinc/01/11/06/389011106.db2.gz XHQYFVWAWDTAEF-SNVBAGLBSA-N 1 0 222.292 0.049 10 0 BCAERO C[C@@H]1C/C(=C\CS(C)(=O)=O)CC[NH2+]1 ZINC000575515100 389045150 /nfs/dbraw/zinc/04/51/50/389045150.db2.gz NUUGRYBXNBPBGM-HMXLAXJASA-N 1 0 203.307 0.729 10 0 BCAERO NC(=O)c1cc(N2CCC[C@H]([NH3+])C2)ccn1 ZINC000041030289 132349154 /nfs/dbraw/zinc/34/91/54/132349154.db2.gz CBUNSCZAHOCFDY-QMMMGPOBSA-N 1 0 220.276 0.108 10 0 BCAERO C[C@@H]1C[NH2+]CCN1c1ccc(Cl)nn1 ZINC000054374883 132364341 /nfs/dbraw/zinc/36/43/41/132364341.db2.gz WQFIYKMYHMQVFA-SSDOTTSWSA-N 1 0 212.684 0.928 10 0 BCAERO CCN(C)C(=O)C[NH2+][C@@H]1CN2CCC1CC2 ZINC000037223347 169675246 /nfs/dbraw/zinc/67/52/46/169675246.db2.gz HWWRTWOZYPBPCX-LLVKDONJSA-N 1 0 225.336 0.149 10 0 BCAERO CC(C)CCN(CC[NH3+])S(C)(=O)=O ZINC000076584601 166834987 /nfs/dbraw/zinc/83/49/87/166834987.db2.gz KTYALMWYPXVKJL-UHFFFAOYSA-N 1 0 208.327 0.253 10 0 BCAERO CC(C)c1cc(N2CCO[C@@H](C[NH3+])C2)ncn1 ZINC000041162044 132224432 /nfs/dbraw/zinc/22/44/32/132224432.db2.gz MTPZCZBSSZWXPC-JTQLQIEISA-N 1 0 236.319 0.764 10 0 BCAERO O=C1Nc2ccc(O)cc2N2CC[NH2+]C[C@H]12 ZINC000026157728 132292554 /nfs/dbraw/zinc/29/25/54/132292554.db2.gz PSAQYFDWGPHSKU-SNVBAGLBSA-N 1 0 219.244 0.123 10 0 BCAERO CCc1cc(NN)[nH+]c(N2CCSCC2)n1 ZINC000057331610 132301194 /nfs/dbraw/zinc/30/11/94/132301194.db2.gz PUWMYQZKSMIANO-UHFFFAOYSA-N 1 0 239.348 0.878 10 0 BCAERO Cc1nccc(N2C[C@H](C)[NH2+]C[C@H]2C)n1 ZINC000250836662 132303341 /nfs/dbraw/zinc/30/33/41/132303341.db2.gz MVTRCBQXQPDSMT-DTWKUNHWSA-N 1 0 206.293 0.972 10 0 BCAERO CC[NH+]1CCN(c2ncnc(OC)c2N)CC1 ZINC000079064152 132309841 /nfs/dbraw/zinc/30/98/41/132309841.db2.gz CDISUVVITCPOOH-UHFFFAOYSA-N 1 0 237.307 0.209 10 0 BCAERO COc1cc(OC)nc(N2CC[NH2+]C[C@@H]2C)n1 ZINC000083366036 132311193 /nfs/dbraw/zinc/31/11/93/132311193.db2.gz KZWRWXIBMGZDFP-QMMMGPOBSA-N 1 0 238.291 0.292 10 0 BCAERO C[C@@H](C[NH3+])CN1CCN(c2ccccn2)CC1 ZINC000011804670 132320726 /nfs/dbraw/zinc/32/07/26/132320726.db2.gz GUSUYJGKHOPYNZ-LBPRGKRZSA-N 1 0 234.347 0.798 10 0 BCAERO CC[C@H](C[NH3+])N1CCN(c2ncccn2)CC1 ZINC000019264955 132324404 /nfs/dbraw/zinc/32/44/04/132324404.db2.gz OBLDWCCINSUXHA-LLVKDONJSA-N 1 0 235.335 0.336 10 0 BCAERO Nc1ccccc1N1CC[NH+](CCCO)CC1 ZINC000020265476 132331003 /nfs/dbraw/zinc/33/10/03/132331003.db2.gz IHRAMZFHBKQLJO-UHFFFAOYSA-N 1 0 235.331 0.773 10 0 BCAERO Cc1cc(CC[NH3+])nc(N2CCOCC2)n1 ZINC000020384405 132331431 /nfs/dbraw/zinc/33/14/31/132331431.db2.gz UHLOQFFHGUXNSJ-UHFFFAOYSA-N 1 0 222.292 0.123 10 0 BCAERO C[C@@H]1CN(c2ncccc2C[NH3+])CCO1 ZINC000022165723 132332363 /nfs/dbraw/zinc/33/23/63/132332363.db2.gz RZOCHCXOQXEIIY-SECBINFHSA-N 1 0 207.277 0.765 10 0 BCAERO c1cn2c(cncc2N2CC[NH2+]CC2)n1 ZINC000027182006 132334034 /nfs/dbraw/zinc/33/40/34/132334034.db2.gz MHJOLFQAMDPOBB-UHFFFAOYSA-N 1 0 203.249 0.139 10 0 BCAERO Nc1c[nH+]ccc1N1CCC(CO)CC1 ZINC000036720941 132342579 /nfs/dbraw/zinc/34/25/79/132342579.db2.gz WAXGVVDHKWVNDM-UHFFFAOYSA-N 1 0 207.277 0.873 10 0 BCAERO CN1C(=O)C[C@H]([NH2+]CCO)c2ccccc21 ZINC000037250692 132344169 /nfs/dbraw/zinc/34/41/69/132344169.db2.gz KPYWXFLQNJWDEA-JTQLQIEISA-N 1 0 220.272 0.676 10 0 BCAERO CC[NH+]1CCN(c2ncc(N)cc2N)CC1 ZINC000039102262 132346342 /nfs/dbraw/zinc/34/63/42/132346342.db2.gz XZLXSSDNNJKUDC-UHFFFAOYSA-N 1 0 221.308 0.388 10 0 BCAERO C[NH2+]C[C@@H]1CCCN(c2cnccn2)C1 ZINC000040602107 132348287 /nfs/dbraw/zinc/34/82/87/132348287.db2.gz IKXJQZDIMGFMHE-JTQLQIEISA-N 1 0 206.293 0.912 10 0 BCAERO Cc1ccc(N2CCN(CCC[NH3+])CC2)nn1 ZINC000041074725 132349448 /nfs/dbraw/zinc/34/94/48/132349448.db2.gz PYNGEWQSENBIIB-UHFFFAOYSA-N 1 0 235.335 0.256 10 0 BCAERO [NH3+]Cc1ccc(N2CCCC[C@H]2CO)nc1 ZINC000042432056 132352054 /nfs/dbraw/zinc/35/20/54/132352054.db2.gz WYZTXZGRWPMJIQ-NSHDSACASA-N 1 0 221.304 0.892 10 0 BCAERO O=C1N[C@@H]2C[NH2+]CCN2c2cccc(Cl)c21 ZINC000045384164 132354836 /nfs/dbraw/zinc/35/48/36/132354836.db2.gz HVGOEFOHXQIZBF-VIFPVBQESA-N 1 0 237.690 0.819 10 0 BCAERO Nc1cc(F)c(N2CC[NH2+]CC2)c(F)c1 ZINC000050607443 132359609 /nfs/dbraw/zinc/35/96/09/132359609.db2.gz XRIIXRAHKATJRN-UHFFFAOYSA-N 1 0 213.231 0.957 10 0 BCAERO [NH3+]Cc1cc(N2CCS(=O)CC2)ccn1 ZINC000051397524 132360390 /nfs/dbraw/zinc/36/03/90/132360390.db2.gz KDQIJVBSGJMRKI-UHFFFAOYSA-N 1 0 225.317 0.109 10 0 BCAERO C[NH2+]Cc1ccc(N2CCOCC2)nn1 ZINC000051399226 132360720 /nfs/dbraw/zinc/36/07/20/132360720.db2.gz AMFDAZBNBVJADG-UHFFFAOYSA-N 1 0 208.265 0.033 10 0 BCAERO C[NH2+]Cc1ccc(N2CCN(C3CC3)CC2)nn1 ZINC000051520923 132361305 /nfs/dbraw/zinc/36/13/05/132361305.db2.gz HVVSOGRKVDCUOS-UHFFFAOYSA-N 1 0 247.346 0.480 10 0 BCAERO CC[C@@H]1CN(c2ccc(C[NH2+]C)nn2)CCO1 ZINC000051444678 132361386 /nfs/dbraw/zinc/36/13/86/132361386.db2.gz JFPWMBSXYIDUGM-LLVKDONJSA-N 1 0 236.319 0.811 10 0 BCAERO [NH3+]Cc1nccnc1N1CCC[C@@H](CO)C1 ZINC000054377413 132364568 /nfs/dbraw/zinc/36/45/68/132364568.db2.gz HQPPEBJGMOJZBL-SECBINFHSA-N 1 0 222.292 0.144 10 0 BCAERO C[C@@H]1CN(c2nccnc2C(N)=[NH2+])C[C@H](C)O1 ZINC000054379485 132364712 /nfs/dbraw/zinc/36/47/12/132364712.db2.gz LGGSFCFAAFDSSM-OCAPTIKFSA-N 1 0 235.291 0.374 10 0 BCAERO CN(C)c1nccc(N2CCC[C@@H](C[NH3+])C2)n1 ZINC000068690022 132364913 /nfs/dbraw/zinc/36/49/13/132364913.db2.gz TXOSIZAKJOCYPZ-JTQLQIEISA-N 1 0 235.335 0.718 10 0 BCAERO CC(C)[NH2+]Cc1ccnc(N2CCOCC2)n1 ZINC000054791638 132365018 /nfs/dbraw/zinc/36/50/18/132365018.db2.gz AFTIZTOKAMGFBA-UHFFFAOYSA-N 1 0 236.319 0.811 10 0 BCAERO Cc1cccnc1N1CCN([C@@H](C)C[NH3+])CC1 ZINC000058022107 132367786 /nfs/dbraw/zinc/36/77/86/132367786.db2.gz WPHCDJQEZYQMEO-LBPRGKRZSA-N 1 0 234.347 0.859 10 0 BCAERO Cc1ccc(N2CCN([C@@H](C)C[NH3+])CC2)nn1 ZINC000058022153 132368033 /nfs/dbraw/zinc/36/80/33/132368033.db2.gz VSAIYBAECOVYCS-NSHDSACASA-N 1 0 235.335 0.254 10 0 BCAERO Cc1ccc2c(c1)NC(=O)[C@@H]1C[NH2+]CCN21 ZINC000060267950 132368689 /nfs/dbraw/zinc/36/86/89/132368689.db2.gz BPKVVXCYPXAWRN-NSHDSACASA-N 1 0 217.272 0.725 10 0 BCAERO [NH3+]Cc1cc(N2CCC[C@H](O)C2)ccn1 ZINC000060382312 132368706 /nfs/dbraw/zinc/36/87/06/132368706.db2.gz LNAMTPRYUUXVMU-NSHDSACASA-N 1 0 207.277 0.501 10 0 BCAERO c1cnc2nc(N3CC[NH2+]CC3)cnc2c1 ZINC000060139724 132368765 /nfs/dbraw/zinc/36/87/65/132368765.db2.gz WOXGVGMCDIGYSK-UHFFFAOYSA-N 1 0 215.260 0.434 10 0 BCAERO [NH3+]Cc1cc(N2CCCC[C@H]2CO)ccn1 ZINC000060382311 132368811 /nfs/dbraw/zinc/36/88/11/132368811.db2.gz LNPUDYDPSWKKTG-LBPRGKRZSA-N 1 0 221.304 0.892 10 0 BCAERO [NH3+]Cc1cc(N2CCC(CO)CC2)ccn1 ZINC000060382281 132368820 /nfs/dbraw/zinc/36/88/20/132368820.db2.gz NGOUARDBKBTPFI-UHFFFAOYSA-N 1 0 221.304 0.749 10 0 BCAERO C[C@@H]1C[NH2+]CCN1c1nccn(C2CC2)c1=O ZINC000061768513 132387155 /nfs/dbraw/zinc/38/71/55/132387155.db2.gz ZXEWQIAOQXJHEU-SECBINFHSA-N 1 0 234.303 0.376 10 0 BCAERO NC(=[NH2+])c1cc(N2CCn3ccnc3C2)ccn1 ZINC000062252627 132387651 /nfs/dbraw/zinc/38/76/51/132387651.db2.gz LMOYKLICVXFSNC-UHFFFAOYSA-N 1 0 242.286 0.582 10 0 BCAERO [NH3+]Cc1ccc(Cl)cc1N1CCNC(=O)C1 ZINC000062786730 132388722 /nfs/dbraw/zinc/38/87/22/132388722.db2.gz FKMDGHYMWYJKNC-UHFFFAOYSA-N 1 0 239.706 0.735 10 0 BCAERO C[C@H](C(N)=O)N1c2ccccc2CC[C@@H]1C[NH3+] ZINC000063075393 132389630 /nfs/dbraw/zinc/38/96/30/132389630.db2.gz SUIFRILLPIXHPX-MWLCHTKSSA-N 1 0 233.315 0.640 10 0 BCAERO Cn1ccnc(N2CCCC[C@H]2CC[NH3+])c1=O ZINC000070073890 132391415 /nfs/dbraw/zinc/39/14/15/132391415.db2.gz RZTGZDNTHFCCGP-JTQLQIEISA-N 1 0 236.319 0.488 10 0 BCAERO Cc1cc(Cl)nc(N2CC[NH2+]CC2)n1 ZINC000095068919 132428887 /nfs/dbraw/zinc/42/88/87/132428887.db2.gz SSJOVNFACNOXNV-UHFFFAOYSA-N 1 0 212.684 0.848 10 0 BCAERO Cn1cccc(NC(=O)[C@@H]2CCC[C@H]([NH3+])C2)c1=O ZINC000157586625 133488779 /nfs/dbraw/zinc/48/87/79/133488779.db2.gz YOJXHGUWQDIJAK-ZJUUUORDSA-N 1 0 249.314 0.841 10 0 BCAERO CN(C)C(=O)CCCC(=O)N1CCC[C@H]([NH3+])C1 ZINC000157878313 133493462 /nfs/dbraw/zinc/49/34/62/133493462.db2.gz LAWSLSRGSVKIAG-JTQLQIEISA-N 1 0 241.335 0.195 10 0 BCAERO CC(C)(C)CCNC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000157953689 133495065 /nfs/dbraw/zinc/49/50/65/133495065.db2.gz ZHEZNDBIJXNFBQ-RKDXNWHRSA-N 1 0 214.309 0.262 10 0 BCAERO Cc1cnn(CCC(=O)N2CCC[C@H]([NH3+])C2)c1 ZINC000158057820 133496611 /nfs/dbraw/zinc/49/66/11/133496611.db2.gz SDCBUOCZQJNHAO-NSHDSACASA-N 1 0 236.319 0.531 10 0 BCAERO C[NH2+]CCC(=O)NC[C@H]1CCCC[C@@H]1O ZINC000082995285 133513859 /nfs/dbraw/zinc/51/38/59/133513859.db2.gz XLMPSIALTZNFME-ZJUUUORDSA-N 1 0 214.309 0.263 10 0 BCAERO CCCCOC[C@@H](O)C[N@H+](CCO)C(C)C ZINC000193249008 134139776 /nfs/dbraw/zinc/13/97/76/134139776.db2.gz VNLLJHFWHGVMRN-LBPRGKRZSA-N 1 0 233.352 0.867 10 0 BCAERO C[C@@H]1CN(C(=O)[C@@H]2CC[C@H]([NH3+])C2)CCO1 ZINC000085009000 134220821 /nfs/dbraw/zinc/22/08/21/134220821.db2.gz YIZHFNSSNHRRTM-BBBLOLIVSA-N 1 0 212.293 0.361 10 0 BCAERO C[C@@H]1COCCN1C(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000085010380 134221080 /nfs/dbraw/zinc/22/10/80/134221080.db2.gz PUQUMAORPRWZLZ-UTLUCORTSA-N 1 0 212.293 0.361 10 0 BCAERO CSCCCNC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000085013384 134221311 /nfs/dbraw/zinc/22/13/11/134221311.db2.gz WRMISLQCHGZZBE-RKDXNWHRSA-N 1 0 216.350 0.983 10 0 BCAERO CCOC(=O)CCNC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000085012536 134221534 /nfs/dbraw/zinc/22/15/34/134221534.db2.gz XCYGBGYWWMYZNB-DTWKUNHWSA-N 1 0 228.292 0.183 10 0 BCAERO CCS(=O)(=O)N[C@@](C)(C[NH3+])C1CC1 ZINC000168565489 134226833 /nfs/dbraw/zinc/22/68/33/134226833.db2.gz SDBSETDUILTWEH-QMMMGPOBSA-N 1 0 206.311 0.053 10 0 BCAERO CCn1c(C)nnc1CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171638402 134257578 /nfs/dbraw/zinc/25/75/78/134257578.db2.gz RQIPIERHQVLTDB-GFCCVEGCSA-N 1 0 249.362 0.886 10 0 BCAERO O=C(CN1CC[N@@H+]2CCC[C@H]2C1)NCC1CC1 ZINC000171639746 134257644 /nfs/dbraw/zinc/25/76/44/134257644.db2.gz AZFMLWTZVJVTHW-LBPRGKRZSA-N 1 0 237.347 0.293 10 0 BCAERO Cc1cc(C(=O)NC2C[NH2+]C2)ccc1F ZINC000085255699 134262034 /nfs/dbraw/zinc/26/20/34/134262034.db2.gz PZHRFHTUZSWVAH-UHFFFAOYSA-N 1 0 208.236 0.836 10 0 BCAERO Cc1ccc(F)cc1C(=O)NC1C[NH2+]C1 ZINC000085255847 134265276 /nfs/dbraw/zinc/26/52/76/134265276.db2.gz UTRVSTKQHWDGJL-UHFFFAOYSA-N 1 0 208.236 0.836 10 0 BCAERO CN(C(=O)CC[C@H]1CCCCO1)C1C[NH2+]C1 ZINC000085257622 134269374 /nfs/dbraw/zinc/26/93/74/134269374.db2.gz NHZRERXGBNJFDT-LLVKDONJSA-N 1 0 226.320 0.766 10 0 BCAERO CC[N@@H+]1CCC[C@@H]1CN(C)CC(=O)NC ZINC000175336900 134285700 /nfs/dbraw/zinc/28/57/00/134285700.db2.gz IWOQIVJWJYFNHR-SNVBAGLBSA-N 1 0 213.325 0.149 10 0 BCAERO C[C@@H](NC(=O)N(C)CC[NH+](C)C)[C@@H]1CCCO1 ZINC000176224568 134289609 /nfs/dbraw/zinc/28/96/09/134289609.db2.gz IYHJEEIBMZWKHG-MNOVXSKESA-N 1 0 243.351 0.757 10 0 BCAERO COC[C@H](C)[N@@H+]1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000177266412 134296578 /nfs/dbraw/zinc/29/65/78/134296578.db2.gz BVCHINKVKLANAU-AGIUHOORSA-N 1 0 242.363 0.674 10 0 BCAERO COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1CCO ZINC000177685412 134300975 /nfs/dbraw/zinc/30/09/75/134300975.db2.gz WILSIJNSRUKRLP-VWYCJHECSA-N 1 0 227.304 0.785 10 0 BCAERO O=C(Nc1cccnn1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000178256210 134305300 /nfs/dbraw/zinc/30/53/00/134305300.db2.gz OMKLZUOSWODBAV-JTQLQIEISA-N 1 0 247.302 0.789 10 0 BCAERO CSC[C@H](C)C(=O)NCC[C@@H](C)[NH3+] ZINC000178630628 134312008 /nfs/dbraw/zinc/31/20/08/134312008.db2.gz DYNHNQSWCAUKQT-JGVFFNPUSA-N 1 0 204.339 0.839 10 0 BCAERO C[C@@H]([NH3+])CCNC(=O)[C@H](C)NC(=O)C(C)(C)C ZINC000178684484 134312737 /nfs/dbraw/zinc/31/27/37/134312737.db2.gz YWLPDQOESVYCSA-BDAKNGLRSA-N 1 0 243.351 0.391 10 0 BCAERO COC(=O)[C@](C)(O)C[N@@H+]1CCS[C@@H](C)C1 ZINC000220984652 134315415 /nfs/dbraw/zinc/31/54/15/134315415.db2.gz LFIBVYGRDMCGQN-WCBMZHEXSA-N 1 0 233.333 0.348 10 0 BCAERO CCO[C@@H]1C[C@@H]1C(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000179122443 134317459 /nfs/dbraw/zinc/31/74/59/134317459.db2.gz QQRMJHCYOLKYME-KXUCPTDWSA-N 1 0 212.293 0.232 10 0 BCAERO COc1ccc(C[NH2+][C@@H]2CCCNC2=O)cn1 ZINC000221791917 134326180 /nfs/dbraw/zinc/32/61/80/134326180.db2.gz KDPJREFTZDEHAK-SNVBAGLBSA-N 1 0 235.287 0.458 10 0 BCAERO COc1ccc(C[NH2+][C@H]2CCCNC2=O)cn1 ZINC000221791972 134326204 /nfs/dbraw/zinc/32/62/04/134326204.db2.gz KDPJREFTZDEHAK-JTQLQIEISA-N 1 0 235.287 0.458 10 0 BCAERO COC[C@@H]([NH2+][C@H]1CCc2ncnn2C1)C1CC1 ZINC000180581202 134329529 /nfs/dbraw/zinc/32/95/29/134329529.db2.gz CYYPXRFNCCRSDT-WDEREUQCSA-N 1 0 236.319 0.608 10 0 BCAERO C([C@H]1CCCO1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000223047752 134336297 /nfs/dbraw/zinc/33/62/97/134336297.db2.gz LZRAAQYLLHRKRS-VXGBXAGGSA-N 1 0 210.321 0.945 10 0 BCAERO COC(=O)[C@H](C)C[N@@H+]1CC[C@@H](CO)C1 ZINC000225973810 134358155 /nfs/dbraw/zinc/35/81/55/134358155.db2.gz XIPLWRQVUHRLAP-RKDXNWHRSA-N 1 0 201.266 0.110 10 0 BCAERO Cc1nccc(C[NH2+]C[C@H]2CCCN2C)n1 ZINC000226019026 134358793 /nfs/dbraw/zinc/35/87/93/134358793.db2.gz PLQQMKHXNMXZSV-GFCCVEGCSA-N 1 0 220.320 0.969 10 0 BCAERO CC(C)[C@H](CCO)NC(=O)[C@H]1CCC[C@@H]1[NH3+] ZINC000226341468 134360872 /nfs/dbraw/zinc/36/08/72/134360872.db2.gz BKALZWKUAZRRDV-DCAQKATOSA-N 1 0 228.336 0.637 10 0 BCAERO COC[C@@H](O)C[N@@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000227168576 134374437 /nfs/dbraw/zinc/37/44/37/134374437.db2.gz NMCHZVLNKZLSKX-QJPTWQEYSA-N 1 0 229.320 0.637 10 0 BCAERO Cc1nccc(C[NH2+]C[C@]2(O)CCO[C@H]2C)n1 ZINC000227126810 134376536 /nfs/dbraw/zinc/37/65/36/134376536.db2.gz IOUCGAXUZBAFLI-JOYOIKCWSA-N 1 0 237.303 0.415 10 0 BCAERO CC[C@H](C)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](CCO)C1 ZINC000227573492 134381701 /nfs/dbraw/zinc/38/17/01/134381701.db2.gz IRGBSMDKPOFLJH-TUAOUCFPSA-N 1 0 242.363 0.994 10 0 BCAERO Cn1cc(CC[N@@H+]2CC[C@H](CCO)C2)cn1 ZINC000227567134 134383031 /nfs/dbraw/zinc/38/30/31/134383031.db2.gz BXDIPQHRHSAPGJ-LLVKDONJSA-N 1 0 223.320 0.667 10 0 BCAERO NC(=O)c1ccc(C[N@@H+]2CC[C@@H](CCO)C2)cc1 ZINC000227567784 134383190 /nfs/dbraw/zinc/38/31/90/134383190.db2.gz BBGBFERPYFRTOE-LBPRGKRZSA-N 1 0 248.326 0.990 10 0 BCAERO Cc1ccc(C(N)=O)cc1NC(=O)[C@@H]1CC[NH2+]C1 ZINC000151192986 134463156 /nfs/dbraw/zinc/46/31/56/134463156.db2.gz KPEYAQWHYNLJAM-SNVBAGLBSA-N 1 0 247.298 0.642 10 0 BCAERO CCc1nn(C)cc1C(=O)N1C[C@H](C)[C@H]([NH3+])C1 ZINC000234160445 134573569 /nfs/dbraw/zinc/57/35/69/134573569.db2.gz MOUBWFRJHBQLED-WCBMZHEXSA-N 1 0 236.319 0.402 10 0 BCAERO C[C@@H]1CN(C(=O)CCc2ccccn2)C[C@H]1[NH3+] ZINC000235327622 134592132 /nfs/dbraw/zinc/59/21/32/134592132.db2.gz QRFWHWOLHQKDBE-ZYHUDNBSSA-N 1 0 233.315 0.820 10 0 BCAERO Cc1ncc(C(=O)N2C[C@H]([NH3+])[C@@H](C)C2)s1 ZINC000235677334 134596983 /nfs/dbraw/zinc/59/69/83/134596983.db2.gz OKOJBXGWITUTLQ-XPUUQOCRSA-N 1 0 225.317 0.871 10 0 BCAERO C[C@@H]1CO[C@@H](CO)CN1CCC[NH+]1CCCC1 ZINC000129815442 134613897 /nfs/dbraw/zinc/61/38/97/134613897.db2.gz JXOBMSZJZJPSHS-CHWSQXEVSA-N 1 0 242.363 0.554 10 0 BCAERO COCCNC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000246790474 134961614 /nfs/dbraw/zinc/96/16/14/134961614.db2.gz BLOLHHIQNFKBRX-MNOVXSKESA-N 1 0 241.335 0.511 10 0 BCAERO Cn1cccc1C[NH2+]CCc1nnc[nH]1 ZINC000070646183 135003305 /nfs/dbraw/zinc/00/33/05/135003305.db2.gz RQQMFODESHYWCF-UHFFFAOYSA-N 1 0 205.265 0.476 10 0 BCAERO C[C@H]1CCC[N@@H+]1C[C@H](O)CN1CCCC1=O ZINC000076115065 135010876 /nfs/dbraw/zinc/01/08/76/135010876.db2.gz FPZXAXPTOKNPEP-QWRGUYRKSA-N 1 0 226.320 0.454 10 0 BCAERO COc1ccnc(N2CC[N@@H+]3CCC[C@H]3C2)n1 ZINC000248902171 135026301 /nfs/dbraw/zinc/02/63/01/135026301.db2.gz SNGUIOSZBMGPLE-JTQLQIEISA-N 1 0 234.303 0.770 10 0 BCAERO CCCn1ccc(C[NH2+][C@H](CO)COC)c1 ZINC000233386307 135031292 /nfs/dbraw/zinc/03/12/92/135031292.db2.gz DZHSCRNFNALFLS-GFCCVEGCSA-N 1 0 226.320 0.995 10 0 BCAERO CSC[C@H](O)CN1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000249128927 135034531 /nfs/dbraw/zinc/03/45/31/135034531.db2.gz DDJKYBSWLMXBFZ-IJLUTSLNSA-N 1 0 244.404 0.879 10 0 BCAERO CSC[C@H](O)CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000249121960 135034950 /nfs/dbraw/zinc/03/49/50/135034950.db2.gz ALUNYPKOGAOIEU-WDEREUQCSA-N 1 0 230.377 0.490 10 0 BCAERO CO[C@H](C)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000249819586 135046226 /nfs/dbraw/zinc/04/62/26/135046226.db2.gz FKJLVFXZOHZTQV-ZJUUUORDSA-N 1 0 212.293 0.328 10 0 BCAERO O=C([C@H]1CCOC1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000249819166 135046408 /nfs/dbraw/zinc/04/64/08/135046408.db2.gz DYNAZGAZQHKEGF-QWRGUYRKSA-N 1 0 224.304 0.330 10 0 BCAERO CCO[C@@H](C)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000249843014 135046747 /nfs/dbraw/zinc/04/67/47/135046747.db2.gz ZBBUEYJSWBHLFE-QWRGUYRKSA-N 1 0 226.320 0.718 10 0 BCAERO CNC(=O)CC[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000250381780 135052508 /nfs/dbraw/zinc/05/25/08/135052508.db2.gz MGJBLRQYHCQJSY-AAEUAGOBSA-N 1 0 240.347 0.750 10 0 BCAERO COC(=O)[C@@H]1CC[N@@H+]([C@H]2CCCC[C@@H]2O)C1 ZINC000250368694 135053177 /nfs/dbraw/zinc/05/31/77/135053177.db2.gz MOBCMRALLUGTHI-VWYCJHECSA-N 1 0 227.304 0.785 10 0 BCAERO O=C1NCCC[C@@H]1N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250627418 135056859 /nfs/dbraw/zinc/05/68/59/135056859.db2.gz BTOOIFMNURAVGB-WOPDTQHZSA-N 1 0 237.347 0.481 10 0 BCAERO CC[C@H](O)C[N@H+]1C[C@H](N(C)C)[C@@H](C)C1 ZINC000251061309 135062279 /nfs/dbraw/zinc/06/22/79/135062279.db2.gz HUHUVXFDFQMHAQ-DCAQKATOSA-N 1 0 200.326 0.639 10 0 BCAERO CC[C@H](C)NC(=O)CN1CCC[C@H]1C[NH3+] ZINC000251772376 135077127 /nfs/dbraw/zinc/07/71/27/135077127.db2.gz ILOVERLEIIBBBC-UWVGGRQHSA-N 1 0 213.325 0.324 10 0 BCAERO C[C@H]1CN(c2ccnc(N(C)C)n2)CC[C@H]1[NH3+] ZINC000251792374 135077368 /nfs/dbraw/zinc/07/73/68/135077368.db2.gz NLZILMQWGWJIAO-VHSXEESVSA-N 1 0 235.335 0.716 10 0 BCAERO CC[C@@H]1C[N@H+](C[C@H](C)C(=O)OC)CCO1 ZINC000252407212 135088094 /nfs/dbraw/zinc/08/80/94/135088094.db2.gz HHVQUQDGPQFZEI-VHSXEESVSA-N 1 0 215.293 0.906 10 0 BCAERO CC(C)OC[C@H](O)CN1C[C@H]([NH+](C)C)[C@@H](C)C1 ZINC000252493251 135090505 /nfs/dbraw/zinc/09/05/05/135090505.db2.gz LHVSNQSDOPARLA-XQQFMLRXSA-N 1 0 244.379 0.654 10 0 BCAERO CC(C)(O)C[N@@H+]1CCN2CCCC[C@@H]2C1 ZINC000086657843 135091639 /nfs/dbraw/zinc/09/16/39/135091639.db2.gz XXYGYCADFVWYBB-LLVKDONJSA-N 1 0 212.337 0.927 10 0 BCAERO CCOC(=O)CN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000086657863 135091749 /nfs/dbraw/zinc/09/17/49/135091749.db2.gz QQZJETYAKZFYCG-LLVKDONJSA-N 1 0 226.320 0.720 10 0 BCAERO C[N@H+](C[C@@H]1CCC[C@H]1O)CC(C)(C)O ZINC000252597122 135093364 /nfs/dbraw/zinc/09/33/64/135093364.db2.gz IUXIGUVUBPDUHJ-VHSXEESVSA-N 1 0 201.310 0.850 10 0 BCAERO C[C@H](NC(=O)[C@@H]1CC[C@H](C[NH3+])O1)C1CC1 ZINC000087046071 135105322 /nfs/dbraw/zinc/10/53/22/135105322.db2.gz SBLVUFWRVVBFNN-SFGNSQDASA-N 1 0 212.293 0.407 10 0 BCAERO CN(Cc1ccn(C(F)F)n1)C1C[NH2+]C1 ZINC000261538968 135108778 /nfs/dbraw/zinc/10/87/78/135108778.db2.gz BFSVMZFMKCJUCU-UHFFFAOYSA-N 1 0 216.235 0.682 10 0 BCAERO Cn1nccc1CN1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261568933 135109644 /nfs/dbraw/zinc/10/96/44/135109644.db2.gz FZPPJRLUDJPIAU-ZMLRMANQSA-N 1 0 220.320 0.589 10 0 BCAERO C[C@H](C[C@H]1CCCO1)NC(=O)[C@H](C)C[NH3+] ZINC000261591425 135110392 /nfs/dbraw/zinc/11/03/92/135110392.db2.gz VHMATWXRQPWKLS-OPRDCNLKSA-N 1 0 214.309 0.655 10 0 BCAERO CC1(CNC(=O)[C@@H]2CCC[C@H]2[NH3+])COC1 ZINC000087197986 135112516 /nfs/dbraw/zinc/11/25/16/135112516.db2.gz ZYEULNKGEPYMLD-RKDXNWHRSA-N 1 0 212.293 0.267 10 0 BCAERO C[C@H](C(=O)NC(C)(C)C)[N@@H+]1CC[C@H](CCO)C1 ZINC000252891478 135116912 /nfs/dbraw/zinc/11/69/12/135116912.db2.gz KSEYNNZNJFFVJA-GHMZBOCLSA-N 1 0 242.363 0.994 10 0 BCAERO O=C(N[C@H]1CCOC1)N[C@H]1CCCC[NH2+]C1 ZINC000087313973 135123666 /nfs/dbraw/zinc/12/36/66/135123666.db2.gz PEFBVLXRSWRIEQ-UWVGGRQHSA-N 1 0 227.308 0.217 10 0 BCAERO C[C@@H](COCC(F)(F)F)NC(=O)C1C[NH2+]C1 ZINC000263293684 135126032 /nfs/dbraw/zinc/12/60/32/135126032.db2.gz LYVACKWUKASCHK-LURJTMIESA-N 1 0 240.225 0.289 10 0 BCAERO O=C(NC[C@@H]1CCCS1)NC1C[NH2+]C1 ZINC000258413378 135133063 /nfs/dbraw/zinc/13/30/63/135133063.db2.gz IVRKURGQUYGYNM-QMMMGPOBSA-N 1 0 215.322 0.153 10 0 BCAERO C[C@@H](C[NH3+])C(=O)NCCC1CCOCC1 ZINC000258882761 135135534 /nfs/dbraw/zinc/13/55/34/135135534.db2.gz UNFSWKIUYPGTIL-VIFPVBQESA-N 1 0 214.309 0.514 10 0 BCAERO [NH3+]CCC(=O)NCCC1CCOCC1 ZINC000258893756 135135703 /nfs/dbraw/zinc/13/57/03/135135703.db2.gz VPNWNZQSFNKDPD-UHFFFAOYSA-N 1 0 200.282 0.268 10 0 BCAERO CN(C(=O)C[C@@H]1CCCCO1)C1C[NH2+]C1 ZINC000087419986 135137184 /nfs/dbraw/zinc/13/71/84/135137184.db2.gz OYCGNDUYAOHOHY-JTQLQIEISA-N 1 0 212.293 0.376 10 0 BCAERO Cc1ccnc(N2CCN([C@H]3CC[NH2+]C3)CC2)c1 ZINC000257695520 135139776 /nfs/dbraw/zinc/13/97/76/135139776.db2.gz KBQHWUFAOKBUCN-ZDUSSCGKSA-N 1 0 246.358 0.874 10 0 BCAERO Cc1cc(NC(=O)[C@H]2CC[NH2+]C2)nn1C ZINC000257739311 135141020 /nfs/dbraw/zinc/14/10/20/135141020.db2.gz XRNMMWJPYCAJHQ-QMMMGPOBSA-N 1 0 208.265 0.277 10 0 BCAERO Cc1ccnc(N2CC[C@]3(CC[NH2+]C3)C2)n1 ZINC000257747395 135141337 /nfs/dbraw/zinc/14/13/37/135141337.db2.gz UDMMOPHCEJEBHR-LBPRGKRZSA-N 1 0 218.304 0.975 10 0 BCAERO Cc1ccncc1C(=O)N1CCC[C@H]([NH3+])C1 ZINC000257755482 135141996 /nfs/dbraw/zinc/14/19/96/135141996.db2.gz ZWIBWQZNQSGGMA-JTQLQIEISA-N 1 0 219.288 0.953 10 0 BCAERO CS[C@H](C)C(=O)NC[C@@H]1CC[NH2+]C1 ZINC000261527480 135151756 /nfs/dbraw/zinc/15/17/56/135151756.db2.gz BSWUGDDDICZCQE-HTQZYQBOSA-N 1 0 202.323 0.464 10 0 BCAERO C[NH2+]CC(=O)N[C@H]1CCCC[C@H]1OC ZINC000261528078 135152781 /nfs/dbraw/zinc/15/27/81/135152781.db2.gz GXNZFXJGDGXKAL-DTWKUNHWSA-N 1 0 200.282 0.280 10 0 BCAERO COC[C@H](C)C(=O)NC1CC[NH2+]CC1 ZINC000261527934 135153080 /nfs/dbraw/zinc/15/30/80/135153080.db2.gz DKVMHWOVKMAURP-QMMMGPOBSA-N 1 0 200.282 0.137 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N(C)CCC1CC1 ZINC000261528602 135154430 /nfs/dbraw/zinc/15/44/30/135154430.db2.gz MOEQCJREGLMAQI-SECBINFHSA-N 1 0 200.282 0.219 10 0 BCAERO CCS(=O)(=O)N1CC[C@H](C)C[C@H]1C[NH3+] ZINC000261530372 135157246 /nfs/dbraw/zinc/15/72/46/135157246.db2.gz ZASKGEDNQYABJV-IUCAKERBSA-N 1 0 220.338 0.395 10 0 BCAERO [NH3+]C[C@@H]1CCCCN1Cc1csnn1 ZINC000261530148 135157628 /nfs/dbraw/zinc/15/76/28/135157628.db2.gz XKQKXUATQAEVNO-VIFPVBQESA-N 1 0 212.322 0.851 10 0 BCAERO C[C@H]1CN(CCOCC(F)(F)F)C[C@H]1[NH3+] ZINC000261531893 135161669 /nfs/dbraw/zinc/16/16/69/135161669.db2.gz IHDITRCQQWCGIL-JGVFFNPUSA-N 1 0 226.242 0.844 10 0 BCAERO O=C(NC[C@@H]1CC[NH2+]C1)[C@@H]1CCCS1 ZINC000087654736 135161772 /nfs/dbraw/zinc/16/17/72/135161772.db2.gz NETCVGIFOGDXHM-BDAKNGLRSA-N 1 0 214.334 0.608 10 0 BCAERO O=C(CC[C@@H]1CCCO1)NC[C@@H]1CC[NH2+]C1 ZINC000087655028 135161942 /nfs/dbraw/zinc/16/19/42/135161942.db2.gz WAPWQILTYGOXSD-MNOVXSKESA-N 1 0 226.320 0.671 10 0 BCAERO COc1cc(NC[C@H]2CC[NH2+]C2)ncn1 ZINC000087655356 135162281 /nfs/dbraw/zinc/16/22/81/135162281.db2.gz HVBCLBKBDCNOOD-QMMMGPOBSA-N 1 0 208.265 0.507 10 0 BCAERO C[C@@H]1CN(C)CCN1C(=O)C[C@H]1CC[NH2+]C1 ZINC000261532381 135162588 /nfs/dbraw/zinc/16/25/88/135162588.db2.gz AGMSZDRYXBMQET-GHMZBOCLSA-N 1 0 225.336 0.149 10 0 BCAERO O=C(NC[C@H]1CCCS1)[C@H]1CCC[NH2+]C1 ZINC000087668568 135163487 /nfs/dbraw/zinc/16/34/87/135163487.db2.gz SAGYBOKWELEENH-VHSXEESVSA-N 1 0 228.361 0.998 10 0 BCAERO CCOC(=O)CN1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261532809 135163712 /nfs/dbraw/zinc/16/37/12/135163712.db2.gz KFWHREVUEYZEQP-IVZWLZJFSA-N 1 0 212.293 0.219 10 0 BCAERO O=S(=O)(NC[C@H]1CC[NH2+]C1)c1ccco1 ZINC000261532878 135164070 /nfs/dbraw/zinc/16/40/70/135164070.db2.gz AOJFIOAMJUOITR-QMMMGPOBSA-N 1 0 230.289 0.167 10 0 BCAERO CC[C@@H]1CC[C@H](C(=O)N(C)C2C[NH2+]C2)O1 ZINC000261533496 135164921 /nfs/dbraw/zinc/16/49/21/135164921.db2.gz BDXNRRZVJZUTCF-NXEZZACHSA-N 1 0 212.293 0.374 10 0 BCAERO Cc1c(CN2C[C@@H](C)[C@H]([NH3+])C2)cnn1C ZINC000261535137 135168566 /nfs/dbraw/zinc/16/85/66/135168566.db2.gz NVLROEAPCACTIN-LDYMZIIASA-N 1 0 208.309 0.508 10 0 BCAERO C[C@H]1[C@H]([NH3+])CCN1Cc1cnc(N)s1 ZINC000261534877 135168840 /nfs/dbraw/zinc/16/88/40/135168840.db2.gz NHFAKCGVKWZNSF-POYBYMJQSA-N 1 0 212.322 0.647 10 0 BCAERO CCc1ncnc(N2C[C@H](C)[C@H]([NH3+])C2)c1F ZINC000261535288 135169932 /nfs/dbraw/zinc/16/99/32/135169932.db2.gz XWQPLOXQAOAWEM-JGVFFNPUSA-N 1 0 224.283 0.962 10 0 BCAERO C[C@H]1CN(S(=O)(=O)c2ccccc2)C[C@H]1[NH3+] ZINC000261535396 135170049 /nfs/dbraw/zinc/17/00/49/135170049.db2.gz YDAUZDCIBHNEBL-GXSJLCMTSA-N 1 0 240.328 0.654 10 0 BCAERO C[C@@]1(CNC(=O)C2C[NH2+]C2)CCCS1 ZINC000087797015 135172614 /nfs/dbraw/zinc/17/26/14/135172614.db2.gz BZEAMOBZRIXPJS-JTQLQIEISA-N 1 0 214.334 0.608 10 0 BCAERO C[C@@H]1CN(C(=O)[C@H]2[C@@H]3CCC[C@@H]32)C[C@@H]1[NH3+] ZINC000261536854 135173497 /nfs/dbraw/zinc/17/34/97/135173497.db2.gz TYWCEELJYWOJRZ-UVOCVTCTSA-N 1 0 208.305 0.838 10 0 BCAERO [NH3+][C@@H]1CC[C@H]2CN(Cc3csnn3)C[C@@H]12 ZINC000261538946 135177381 /nfs/dbraw/zinc/17/73/81/135177381.db2.gz ZYAOPKLCYNTOES-FXBDTBDDSA-N 1 0 224.333 0.707 10 0 BCAERO CCN1CN(C[C@H]2CCC[NH2+]C2)CC1=O ZINC000261539665 135178716 /nfs/dbraw/zinc/17/87/16/135178716.db2.gz CXOAJVYVBQIQNU-JTQLQIEISA-N 1 0 211.309 0.108 10 0 BCAERO CC[NH2+][C@H](C)CNC(=O)[C@H]1C[C@H]1OCC ZINC000261539844 135178831 /nfs/dbraw/zinc/17/88/31/135178831.db2.gz DFQKQJZLPNUELV-KXUCPTDWSA-N 1 0 214.309 0.526 10 0 BCAERO COc1cc(OC)nc(N2C[C@@H](C)[C@H]([NH3+])C2)n1 ZINC000261540316 135179212 /nfs/dbraw/zinc/17/92/12/135179212.db2.gz FYBDACVPATZGNM-HTQZYQBOSA-N 1 0 238.291 0.277 10 0 BCAERO COc1ccnc(N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)n1 ZINC000261540910 135179831 /nfs/dbraw/zinc/17/98/31/135179831.db2.gz AOLGVIOLUOEHMQ-AEJSXWLSSA-N 1 0 234.303 0.659 10 0 BCAERO Cc1ncc(CNC[C@@H]2C[NH2+]C[C@@H]2O)s1 ZINC000261541091 135180787 /nfs/dbraw/zinc/18/07/87/135180787.db2.gz FMXXRPQWRSGNHC-SCZZXKLOSA-N 1 0 227.333 0.121 10 0 BCAERO C[C@@H]1CO[C@@H](C)CN1C(=O)[C@H]1CC[NH2+]C1 ZINC000261541377 135181230 /nfs/dbraw/zinc/18/12/30/135181230.db2.gz FSEFLLAKFPOVLP-UTLUCORTSA-N 1 0 212.293 0.232 10 0 BCAERO Cc1cc2c(N3CC[C@H]([NH3+])[C@H]3C)nccn2n1 ZINC000261543663 135184811 /nfs/dbraw/zinc/18/48/11/135184811.db2.gz DDUGNFYFVFXUJK-ZJUUUORDSA-N 1 0 231.303 0.964 10 0 BCAERO C[C@H](NC(=O)[C@@H]1CCC[C@H]([NH3+])C1)c1nc[nH]n1 ZINC000261544449 135185110 /nfs/dbraw/zinc/18/51/10/135185110.db2.gz YEAFZEGZIUBWBE-YIZRAAEISA-N 1 0 237.307 0.499 10 0 BCAERO COc1ccnc(N2CC[C@@H]3[NH2+]CC[C@H]3C2)n1 ZINC000261545098 135186765 /nfs/dbraw/zinc/18/67/65/135186765.db2.gz FMWAIWUXXJYTNY-UWVGGRQHSA-N 1 0 234.303 0.673 10 0 BCAERO COc1cc(N2CC[C@H]3[NH2+]CC[C@@H]3C2)ncn1 ZINC000261549550 135188128 /nfs/dbraw/zinc/18/81/28/135188128.db2.gz KPGPBLMKZJBOKJ-NXEZZACHSA-N 1 0 234.303 0.673 10 0 BCAERO C[C@H]1CN(c2nnnn2-c2ccccc2)C[C@H]1[NH3+] ZINC000261550096 135189375 /nfs/dbraw/zinc/18/93/75/135189375.db2.gz LBQCZBWTGXQOHM-GXSJLCMTSA-N 1 0 244.302 0.446 10 0 BCAERO CC[C@H](C)NC(=O)CN1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261551224 135190022 /nfs/dbraw/zinc/19/00/22/135190022.db2.gz LUEPWKHTMQUCPR-NNYUYHANSA-N 1 0 239.363 0.570 10 0 BCAERO CC[C@@H](C)NC(=O)CN1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261550931 135190388 /nfs/dbraw/zinc/19/03/88/135190388.db2.gz LPDAONJGWBZTDJ-GHMZBOCLSA-N 1 0 241.379 0.960 10 0 BCAERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1cccs1 ZINC000261552183 135191057 /nfs/dbraw/zinc/19/10/57/135191057.db2.gz RAGVJKXXHLRZID-SFYZADRCSA-N 1 0 226.301 0.058 10 0 BCAERO COC[C@@]1(CNC(=O)[C@@H]2CC2(C)C)CCC[NH2+]1 ZINC000261552256 135191171 /nfs/dbraw/zinc/19/11/71/135191171.db2.gz MTWFYZVTAXCPHP-GWCFXTLKSA-N 1 0 240.347 0.917 10 0 BCAERO COC[C@H](C)C(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000261552832 135191783 /nfs/dbraw/zinc/19/17/83/135191783.db2.gz RWZAYMJVHWTZQC-GUBZILKMSA-N 1 0 214.309 0.383 10 0 BCAERO O=C(NC[C@@H]1CCC[C@H]1O)[C@@H]1CCC[NH2+]1 ZINC000084238537 135194211 /nfs/dbraw/zinc/19/42/11/135194211.db2.gz ITAJELBABIXTPJ-LPEHRKFASA-N 1 0 212.293 0.016 10 0 BCAERO CC(C)N(C)C(=O)CN1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261554565 135194645 /nfs/dbraw/zinc/19/46/45/135194645.db2.gz OYPXAMKJFJWJFK-NSHDSACASA-N 1 0 241.379 0.912 10 0 BCAERO O=C(C[NH2+]CC1CC1)NC[C@@H]1CCC[C@@H]1O ZINC000084239030 135194600 /nfs/dbraw/zinc/19/46/00/135194600.db2.gz GGGYWFGIWLLCGE-QWRGUYRKSA-N 1 0 226.320 0.263 10 0 BCAERO O=C(C[C@@H]1CCC[NH2+]1)NC[C@H]1CCC[C@@H]1O ZINC000084238281 135194640 /nfs/dbraw/zinc/19/46/40/135194640.db2.gz VJJGSPXWQNGWCP-VWYCJHECSA-N 1 0 226.320 0.406 10 0 BCAERO [NH3+][C@@H]1CC[C@H]2CN(Cc3nnnn3C3CC3)C[C@H]12 ZINC000261555357 135195180 /nfs/dbraw/zinc/19/51/80/135195180.db2.gz BKCJUIYCWXWEKI-INTQDDNPSA-N 1 0 248.334 0.177 10 0 BCAERO C1CC1[NH2+][C@H]1CCC[C@@H]1[C@@H]1COCCN1 ZINC000261556528 135196838 /nfs/dbraw/zinc/19/68/38/135196838.db2.gz WADYHBJIOSGKEJ-SRVKXCTJSA-N 1 0 210.321 0.896 10 0 BCAERO C[C@H](C[C@@H]1CCCO1)NC(=O)C1C[NH2+]C1 ZINC000261558929 135199346 /nfs/dbraw/zinc/19/93/46/135199346.db2.gz YQOTZNLLJGJRKT-SCZZXKLOSA-N 1 0 212.293 0.280 10 0 BCAERO COC[C@H]([NH3+])C(=O)N1C[C@H]2CCCC[C@@H]2C1 ZINC000261558543 135199836 /nfs/dbraw/zinc/19/98/36/135199836.db2.gz YKEJCMKQGNGMHZ-MXWKQRLJSA-N 1 0 226.320 0.609 10 0 BCAERO O=C(CSC(F)(F)F)NC[C@H]1CC[NH2+]C1 ZINC000261560104 135201060 /nfs/dbraw/zinc/20/10/60/135201060.db2.gz ZPQVVGQVYBLNTM-LURJTMIESA-N 1 0 242.266 0.965 10 0 BCAERO C[NH2+][C@@H](C)CNC(=O)[C@@H](O)c1ccccc1 ZINC000261560557 135201061 /nfs/dbraw/zinc/20/10/61/135201061.db2.gz AATFNCBELJNNHL-ONGXEEELSA-N 1 0 222.288 0.444 10 0 BCAERO Cc1nccn1CCNC(=O)[C@H]1CCC[C@H]1[NH3+] ZINC000261560437 135201313 /nfs/dbraw/zinc/20/13/13/135201313.db2.gz UPNKZIAZFPXTTD-WDEREUQCSA-N 1 0 236.319 0.435 10 0 BCAERO CSC(C)(C)CNC(=O)COC1C[NH2+]C1 ZINC000261560338 135201315 /nfs/dbraw/zinc/20/13/15/135201315.db2.gz ZSHPAWYAYVZOOI-UHFFFAOYSA-N 1 0 232.349 0.233 10 0 BCAERO [NH3+]C1CCN(C(=O)[C@H]2C[C@H]2C2CC2)CC1 ZINC000261562358 135203922 /nfs/dbraw/zinc/20/39/22/135203922.db2.gz BFXYLCUEHNJHDK-QWRGUYRKSA-N 1 0 208.305 0.982 10 0 BCAERO Cn1cc(CN2CC[C@@H]([NH3+])C(C)(C)C2)nn1 ZINC000261562492 135204437 /nfs/dbraw/zinc/20/44/37/135204437.db2.gz BHVGTZYKOPJBQU-SNVBAGLBSA-N 1 0 223.324 0.374 10 0 BCAERO CC(C)N(C)C(=O)CN1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261562869 135204736 /nfs/dbraw/zinc/20/47/36/135204736.db2.gz WPTVSPQYWYKHHF-RYUDHWBXSA-N 1 0 239.363 0.537 10 0 BCAERO O=C(CC[C@@H]1CCC[NH2+]1)NC[C@@H]1CCC[C@@H]1O ZINC000261563759 135205597 /nfs/dbraw/zinc/20/55/97/135205597.db2.gz XJBGCFWBBNJYGF-SRVKXCTJSA-N 1 0 240.347 0.796 10 0 BCAERO Cc1nccc(N2CC[C@@H]3[NH2+]CC[C@H]3C2)n1 ZINC000261564178 135206217 /nfs/dbraw/zinc/20/62/17/135206217.db2.gz CIWINPDUORGCJQ-QWRGUYRKSA-N 1 0 218.304 0.973 10 0 BCAERO O=C(CC[C@H]1CCC[NH2+]1)N1CCn2ccnc2C1 ZINC000261563891 135206237 /nfs/dbraw/zinc/20/62/37/135206237.db2.gz GZXRCODJLIFWJZ-LLVKDONJSA-N 1 0 248.330 0.758 10 0 BCAERO CC1(C)CN(Cc2cc[nH]n2)CC[C@@H]1[NH3+] ZINC000261566035 135207817 /nfs/dbraw/zinc/20/78/17/135207817.db2.gz DGDJHSSZBJKHIS-JTQLQIEISA-N 1 0 208.309 0.969 10 0 BCAERO C[C@]1(NC(=O)CC[C@H]2CCC[NH2+]2)CCOC1 ZINC000261567328 135209749 /nfs/dbraw/zinc/20/97/49/135209749.db2.gz DWCZUDOJXMZQIO-PWSUYJOCSA-N 1 0 226.320 0.814 10 0 BCAERO Cc1nccc(N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)n1 ZINC000261571751 135214118 /nfs/dbraw/zinc/21/41/18/135214118.db2.gz HUTAGUYJDSHVNS-HBNTYKKESA-N 1 0 218.304 0.959 10 0 BCAERO O=S(=O)(CCC1CCC1)NC[C@@H]1CC[NH2+]C1 ZINC000261572415 135214597 /nfs/dbraw/zinc/21/45/97/135214597.db2.gz IDHMOHUCKNJTGW-LLVKDONJSA-N 1 0 246.376 0.706 10 0 BCAERO C[C@@H]1CN(C(=O)C[C@@H]2CC[NH2+]C2)C[C@@H](C)O1 ZINC000084381396 135215548 /nfs/dbraw/zinc/21/55/48/135215548.db2.gz XYFNHXPTQZINTH-MXWKQRLJSA-N 1 0 226.320 0.622 10 0 BCAERO CC1(C)CN(CC(=O)NC2CC2)CC[C@H]1[NH3+] ZINC000261575048 135216699 /nfs/dbraw/zinc/21/66/99/135216699.db2.gz JOABZWHUJKQVJF-SNVBAGLBSA-N 1 0 225.336 0.324 10 0 BCAERO O=C(C[C@@H]1CC[NH2+]C1)NC[C@H]1CCC[C@@H]1O ZINC000084384395 135217100 /nfs/dbraw/zinc/21/71/00/135217100.db2.gz QOLAQUTWPCLNNS-AXFHLTTASA-N 1 0 226.320 0.263 10 0 BCAERO CCOC(=O)[C@@H](C)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261578218 135219196 /nfs/dbraw/zinc/21/91/96/135219196.db2.gz LPAYVWKEQOCDQS-ZJUUUORDSA-N 1 0 228.336 0.997 10 0 BCAERO Cc1nn(C)cc1C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261577417 135219272 /nfs/dbraw/zinc/21/92/72/135219272.db2.gz OHVVCLWLTIGUKX-DLOVCJGASA-N 1 0 248.330 0.538 10 0 BCAERO Cc1noc(CN2CC[C@@H]([NH3+])C(C)(C)C2)n1 ZINC000261580335 135221558 /nfs/dbraw/zinc/22/15/58/135221558.db2.gz MZKIBACXFCVALV-SECBINFHSA-N 1 0 224.308 0.937 10 0 BCAERO Cc1cnc(N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)nc1 ZINC000261582764 135223617 /nfs/dbraw/zinc/22/36/17/135223617.db2.gz OQONBVKSSHMVRJ-HBNTYKKESA-N 1 0 218.304 0.959 10 0 BCAERO CN(CCC1CC1)C(=O)C1([NH3+])CCOCC1 ZINC000261583383 135223984 /nfs/dbraw/zinc/22/39/84/135223984.db2.gz OZGMIGLSPWSNPB-UHFFFAOYSA-N 1 0 226.320 0.753 10 0 BCAERO C[C@H]([NH3+])CC(=O)N[C@@H](C)C[C@H]1CCCO1 ZINC000261583072 135224175 /nfs/dbraw/zinc/22/41/75/135224175.db2.gz OVHDURYXGAPDJD-LPEHRKFASA-N 1 0 214.309 0.798 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)Nc1cnn(C)c1C ZINC000261585406 135226003 /nfs/dbraw/zinc/22/60/03/135226003.db2.gz QJAHYVZABGTDFE-MRVPVSSYSA-N 1 0 210.281 0.794 10 0 BCAERO CCC[C@H]([NH3+])C(=O)Nc1cnn(C)c1C ZINC000261585414 135226239 /nfs/dbraw/zinc/22/62/39/135226239.db2.gz QJAHYVZABGTDFE-QMMMGPOBSA-N 1 0 210.281 0.794 10 0 BCAERO CCOCCC(=O)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261585525 135227145 /nfs/dbraw/zinc/22/71/45/135227145.db2.gz QNJHTPQYXLQPNT-JTQLQIEISA-N 1 0 228.336 0.999 10 0 BCAERO C[C@@H](C[NH3+])N(C)C(=O)c1ncncc1Cl ZINC000261593077 135233438 /nfs/dbraw/zinc/23/34/38/135233438.db2.gz WLHQDOJMJVQGSQ-LURJTMIESA-N 1 0 228.683 0.549 10 0 BCAERO CC1(C)CN(CCn2cncn2)CC[C@@H]1[NH3+] ZINC000261593960 135234299 /nfs/dbraw/zinc/23/42/99/135234299.db2.gz XEEUYLUWKPDDEG-JTQLQIEISA-N 1 0 223.324 0.337 10 0 BCAERO COC[C@@]1(C(=O)N[C@H](C)C2CC2)CC[NH2+]C1 ZINC000261595258 135235084 /nfs/dbraw/zinc/23/50/84/135235084.db2.gz YABXQVIXLFZWMI-BXKDBHETSA-N 1 0 226.320 0.527 10 0 BCAERO Cc1nn(C)c(C)c1CN1CC[C@@H]([NH3+])[C@@H]1C ZINC000261594500 135235197 /nfs/dbraw/zinc/23/51/97/135235197.db2.gz XPWXRLBVJUZIBD-CMPLNLGQSA-N 1 0 222.336 0.958 10 0 BCAERO Cc1nccnc1N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261596429 135235693 /nfs/dbraw/zinc/23/56/93/135235693.db2.gz YVUWJTSKPPVPGS-MNOVXSKESA-N 1 0 218.304 0.973 10 0 BCAERO [NH3+][C@@H]1CC[C@H]2CN(Cc3ccon3)C[C@@H]12 ZINC000261598095 135236474 /nfs/dbraw/zinc/23/64/74/135236474.db2.gz ZKRLMILRFPJGBV-JMJZKYOTSA-N 1 0 207.277 0.844 10 0 BCAERO C[NH2+][C@@H](C)CNC(=O)COC1CCCC1 ZINC000261547189 135240089 /nfs/dbraw/zinc/24/00/89/135240089.db2.gz LZXZDXOREYWRLR-VIFPVBQESA-N 1 0 214.309 0.670 10 0 BCAERO CCC[C@@H](C)CS(=O)(=O)NC[C@H](C)[NH2+]C ZINC000261547795 135241296 /nfs/dbraw/zinc/24/12/96/135241296.db2.gz MTGYCHKJDZMGDF-ZJUUUORDSA-N 1 0 236.381 0.950 10 0 BCAERO C[NH2+]CCC(=O)N1CCC[C@@H]1c1cnn(C)c1 ZINC000261548234 135241462 /nfs/dbraw/zinc/24/14/62/135241462.db2.gz JDSOCNMWWHZCPH-LLVKDONJSA-N 1 0 236.319 0.693 10 0 BCAERO C[C@H]1CCN(C(=O)Cc2ccon2)[C@@H](C[NH3+])C1 ZINC000261635709 135242004 /nfs/dbraw/zinc/24/20/04/135242004.db2.gz AKFYULQIKZEFPO-GXSJLCMTSA-N 1 0 237.303 0.803 10 0 BCAERO CCNC(=O)CCCC(=O)NC[C@H](C)[NH2+]C ZINC000261664921 135243812 /nfs/dbraw/zinc/24/38/12/135243812.db2.gz GEXRCSKSEJQXQU-VIFPVBQESA-N 1 0 229.324 0.017 10 0 BCAERO C[C@@H](NC(=O)[C@@H]([NH3+])C1CCOCC1)C1CC1 ZINC000261689705 135245632 /nfs/dbraw/zinc/24/56/32/135245632.db2.gz HKBWSXILKGFAJV-KCJUWKMLSA-N 1 0 226.320 0.655 10 0 BCAERO Cc1cccc(CNC(=O)C2C[NH2+]C2)c1 ZINC000084409694 135247243 /nfs/dbraw/zinc/24/72/43/135247243.db2.gz BSOLEDHSYZAORG-UHFFFAOYSA-N 1 0 204.273 0.831 10 0 BCAERO CCOCCO[C@H](C)C(=O)NC[C@@H](C)[NH2+]C ZINC000261715398 135247440 /nfs/dbraw/zinc/24/74/40/135247440.db2.gz KIVPAJWMKURBEO-NXEZZACHSA-N 1 0 232.324 0.152 10 0 BCAERO Cc1ccc(CNC(=O)C2C[NH2+]C2)cc1F ZINC000084408793 135247482 /nfs/dbraw/zinc/24/74/82/135247482.db2.gz WYMNMJVZHFJMKN-UHFFFAOYSA-N 1 0 222.263 0.970 10 0 BCAERO O=C(NC[C@@H](O)c1ccccc1)C1C[NH2+]C1 ZINC000084408805 135247566 /nfs/dbraw/zinc/24/75/66/135247566.db2.gz FNPSHEUNPBYAJY-LLVKDONJSA-N 1 0 220.272 0.056 10 0 BCAERO CN(C[C@H]1CCCOC1)C(=O)C1C[NH2+]C1 ZINC000084412240 135248033 /nfs/dbraw/zinc/24/80/33/135248033.db2.gz HBCRMJRZCCYIHA-SECBINFHSA-N 1 0 212.293 0.091 10 0 BCAERO CC[C@H](NC(=O)C1C[NH2+]C1)c1nccs1 ZINC000084412558 135248716 /nfs/dbraw/zinc/24/87/16/135248716.db2.gz WCHUDLHSCVTXNS-QMMMGPOBSA-N 1 0 225.317 0.930 10 0 BCAERO C[C@@H]1CCN(C(=O)C2([NH3+])CCOCC2)[C@H]1C ZINC000261785028 135252997 /nfs/dbraw/zinc/25/29/97/135252997.db2.gz HUBIPRIMQMUKKC-ZJUUUORDSA-N 1 0 226.320 0.751 10 0 BCAERO CC(C)(C)n1cc(CN2CCC[C@H]2C[NH3+])nn1 ZINC000261803515 135254314 /nfs/dbraw/zinc/25/43/14/135254314.db2.gz HBIBLCFLRBCERF-NSHDSACASA-N 1 0 237.351 0.956 10 0 BCAERO [NH3+][C@@H](C(=O)NCCC1CC1)C1CCOCC1 ZINC000261818249 135255113 /nfs/dbraw/zinc/25/51/13/135255113.db2.gz PERQNIIKCYQKJZ-LLVKDONJSA-N 1 0 226.320 0.657 10 0 BCAERO C[C@@H]1C[C@@H]1CNC(=O)[C@@H]([NH3+])C1CCOCC1 ZINC000261818362 135255187 /nfs/dbraw/zinc/25/51/87/135255187.db2.gz PGQJHQINKVBEMT-IEBDPFPHSA-N 1 0 226.320 0.513 10 0 BCAERO CC(C)[C@@H]1OCC[C@H]1CNC(=O)C[C@H](C)[NH3+] ZINC000261818428 135255292 /nfs/dbraw/zinc/25/52/92/135255292.db2.gz MGVIVHSXGKEIOP-NHCYSSNCSA-N 1 0 228.336 0.901 10 0 BCAERO Cc1nc([C@@H]2CN(CC(C)(C)[NH3+])CCO2)no1 ZINC000261822982 135255401 /nfs/dbraw/zinc/25/54/01/135255401.db2.gz ILNIGDCVCLEHCK-VIFPVBQESA-N 1 0 240.307 0.489 10 0 BCAERO [NH3+][C@H](C(=O)NCCC1CC1)C1CCOCC1 ZINC000261818251 135255535 /nfs/dbraw/zinc/25/55/35/135255535.db2.gz PERQNIIKCYQKJZ-NSHDSACASA-N 1 0 226.320 0.657 10 0 BCAERO CCOCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCCN1 ZINC000261871825 135258739 /nfs/dbraw/zinc/25/87/39/135258739.db2.gz DFRNYHFWLAYWSR-XQQFMLRXSA-N 1 0 242.363 0.770 10 0 BCAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)NC[C@H]1CCCOC1 ZINC000261879898 135259273 /nfs/dbraw/zinc/25/92/73/135259273.db2.gz YZSBMBSGKMEHGQ-IJLUTSLNSA-N 1 0 240.347 0.904 10 0 BCAERO CCO[C@H](C)C(=O)N1CC[C@H](C)C[C@@H]1C[NH3+] ZINC000261881578 135259716 /nfs/dbraw/zinc/25/97/16/135259716.db2.gz UDABIIOBSXSNIA-HBNTYKKESA-N 1 0 228.336 0.997 10 0 BCAERO CS[C@@H](C)CNC(=O)[C@H]([NH3+])C1CCOCC1 ZINC000261907863 135261933 /nfs/dbraw/zinc/26/19/33/135261933.db2.gz XFAPGANRUOPZEW-WCBMZHEXSA-N 1 0 246.376 0.608 10 0 BCAERO C[C@H]1CCCN1C(=O)CCN1CC[NH2+]C[C@H]1C ZINC000261907026 135261957 /nfs/dbraw/zinc/26/19/57/135261957.db2.gz XEHIACMWJXUEEH-NWDGAFQWSA-N 1 0 239.363 0.681 10 0 BCAERO CC(C)[C@H](C)NC(=O)[C@@H]([NH3+])C1CCOCC1 ZINC000261900669 135261965 /nfs/dbraw/zinc/26/19/65/135261965.db2.gz WMJXKMDIEYKPSY-ONGXEEELSA-N 1 0 228.336 0.901 10 0 BCAERO C[C@H]1OCCN(C(=O)[C@@H]2CC[C@H](C[NH3+])O2)[C@@H]1C ZINC000261919215 135262968 /nfs/dbraw/zinc/26/29/68/135262968.db2.gz YKZGLJQNDSGQDE-DBIOUOCHSA-N 1 0 242.319 0.129 10 0 BCAERO C[C@@H]1CN(Cc2cnc(N(C)C)s2)C[C@@H]1[NH3+] ZINC000261922333 135263353 /nfs/dbraw/zinc/26/33/53/135263353.db2.gz BTMHTNHMQPMZRZ-SCZZXKLOSA-N 1 0 240.376 0.988 10 0 BCAERO CS(=O)(=O)[C@H]1CCN(C[C@@H]2CCC[NH2+]C2)C1 ZINC000261975326 135268975 /nfs/dbraw/zinc/26/89/75/135268975.db2.gz QUEZMMUCUORPDB-MNOVXSKESA-N 1 0 246.376 0.105 10 0 BCAERO CCn1c(C)nnc1CN1CCC[C@@H]1C[NH3+] ZINC000261983257 135269774 /nfs/dbraw/zinc/26/97/74/135269774.db2.gz IYAKEYCJBACAEN-SNVBAGLBSA-N 1 0 223.324 0.530 10 0 BCAERO C[C@@H]1C[NH2+]CCN1c1cnn(C)c(=O)c1Cl ZINC000262012127 135271950 /nfs/dbraw/zinc/27/19/50/135271950.db2.gz QVDGZGGMEDBCCK-SSDOTTSWSA-N 1 0 242.710 0.232 10 0 BCAERO C[C@@H]1CCCN1C(=O)[C@H]([NH3+])C1CCOCC1 ZINC000262013444 135271993 /nfs/dbraw/zinc/27/19/93/135271993.db2.gz OGDGRUAGJRHEFF-MWLCHTKSSA-N 1 0 226.320 0.751 10 0 BCAERO CCn1c(C)nnc1CN1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000262012710 135272073 /nfs/dbraw/zinc/27/20/73/135272073.db2.gz UTLXRBPYEMHEOY-UWVGGRQHSA-N 1 0 237.351 0.789 10 0 BCAERO CCn1c(C)nnc1CN1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000262012707 135272504 /nfs/dbraw/zinc/27/25/04/135272504.db2.gz UTLXRBPYEMHEOY-AOOOYVTPSA-N 1 0 237.351 0.789 10 0 BCAERO C([C@H]1CCC[NH2+]C1)N1CCN2CCOC[C@@H]2C1 ZINC000262043096 135275616 /nfs/dbraw/zinc/27/56/16/135275616.db2.gz YPPYIQCWGOVHOB-STQMWFEESA-N 1 0 239.363 0.002 10 0 BCAERO COc1cccc(C(F)(F)CNC(N)=[NH2+])n1 ZINC000262068796 135277165 /nfs/dbraw/zinc/27/71/65/135277165.db2.gz BVBOQPUQVSEEFA-UHFFFAOYSA-N 1 0 230.218 0.665 10 0 BCAERO O=C(CC1CCCCC1)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262066875 135277268 /nfs/dbraw/zinc/27/72/68/135277268.db2.gz BGUGIPVIONLGMM-NEPJUHHUSA-N 1 0 240.347 0.653 10 0 BCAERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)c1cccc(F)c1 ZINC000262076869 135277684 /nfs/dbraw/zinc/27/76/84/135277684.db2.gz CDDADWFBCGLYLI-GXSJLCMTSA-N 1 0 238.262 0.136 10 0 BCAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)[C@@H]1Cc2ccccc21 ZINC000262084181 135277991 /nfs/dbraw/zinc/27/79/91/135277991.db2.gz COGDONYOZMVAMW-UHTWSYAYSA-N 1 0 246.310 0.023 10 0 BCAERO C[C@H]1CN(Cc2cn(C(C)(C)C)nn2)C[C@@H]1[NH3+] ZINC000262103226 135279144 /nfs/dbraw/zinc/27/91/44/135279144.db2.gz VSTGRRUWEFUWNK-ONGXEEELSA-N 1 0 237.351 0.812 10 0 BCAERO C[C@@H](N[C@H]1CC[NH2+]C1)C(=O)NCc1ccccc1 ZINC000262138981 135281039 /nfs/dbraw/zinc/28/10/39/135281039.db2.gz ONSLRRBVVXOLHE-YPMHNXCESA-N 1 0 247.342 0.643 10 0 BCAERO CC1CC(NC(=O)[C@H]2C[C@H](F)C[NH2+]2)C1 ZINC000262135543 135281411 /nfs/dbraw/zinc/28/14/11/135281411.db2.gz OTGUQURWWXGLSL-GPCQJSLASA-N 1 0 200.257 0.601 10 0 BCAERO CO[C@@H]1[C@H](C)[C@@H](NC(=O)[C@H]2CCC[NH2+]2)C1(C)C ZINC000262159499 135282714 /nfs/dbraw/zinc/28/27/14/135282714.db2.gz UQXIGIYCSNCGHS-GWOFURMSSA-N 1 0 240.347 0.914 10 0 BCAERO C[C@H]([NH3+])C(=O)NCC1([C@@H](C)CCO)CCC1 ZINC000262174241 135283512 /nfs/dbraw/zinc/28/35/12/135283512.db2.gz XYVUJQPMTGGFLT-UWVGGRQHSA-N 1 0 228.336 0.639 10 0 BCAERO O=C(CN[C@@H]1CC[NH2+]C1)Nc1ccc(F)cc1 ZINC000262182124 135284446 /nfs/dbraw/zinc/28/44/46/135284446.db2.gz RBZPAHFOWYUFHO-LLVKDONJSA-N 1 0 237.278 0.716 10 0 BCAERO C[C@H]1CN(C(=O)[C@H]2C[C@H](F)C[NH2+]2)C[C@@H]1C ZINC000262188865 135284521 /nfs/dbraw/zinc/28/45/21/135284521.db2.gz YBDWFTLZGOOAJF-AATLWQCWSA-N 1 0 214.284 0.801 10 0 BCAERO O=C(C1C[NH2+]C1)N1CCOc2cc(F)ccc21 ZINC000262235155 135285889 /nfs/dbraw/zinc/28/58/89/135285889.db2.gz MYXZQQOQLSWHKZ-UHFFFAOYSA-N 1 0 236.246 0.771 10 0 BCAERO CO[C@@H]1CCCC[C@@H]1NC(=O)[C@H](C)C1C[NH2+]C1 ZINC000262241989 135287561 /nfs/dbraw/zinc/28/75/61/135287561.db2.gz ROOBSXXKMPMRIB-ADEWGFFLSA-N 1 0 240.347 0.916 10 0 BCAERO COC[C@H]([NH3+])C(=O)N[C@H]1CCCC[C@H]1OC ZINC000262261816 135288350 /nfs/dbraw/zinc/28/83/50/135288350.db2.gz JMSGKMIBXWUGII-LPEHRKFASA-N 1 0 230.308 0.034 10 0 BCAERO O=C(NC[C@@H](CCO)c1ccccc1)C1C[NH2+]C1 ZINC000262264844 135289213 /nfs/dbraw/zinc/28/92/13/135289213.db2.gz RUTLAMVQCLNXKK-GFCCVEGCSA-N 1 0 248.326 0.488 10 0 BCAERO COC[C@H]([NH3+])C(=O)NCC1(CCO)CCCC1 ZINC000262283342 135289854 /nfs/dbraw/zinc/28/98/54/135289854.db2.gz MAARGRMDNMHUOG-JTQLQIEISA-N 1 0 244.335 0.019 10 0 BCAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)C1CCCCC1 ZINC000262286705 135290596 /nfs/dbraw/zinc/29/05/96/135290596.db2.gz OJLDGMVOTRKDEH-QWRGUYRKSA-N 1 0 226.320 0.263 10 0 BCAERO COC[C@H]([NH3+])C(=O)N[C@@H]1CCO[C@H](C(C)C)C1 ZINC000262289155 135290852 /nfs/dbraw/zinc/29/08/52/135290852.db2.gz MSVHIABQUVZMTR-VWYCJHECSA-N 1 0 244.335 0.280 10 0 BCAERO CCCC1(C(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)CCC1 ZINC000262302013 135291641 /nfs/dbraw/zinc/29/16/41/135291641.db2.gz PRLHXYUQYBDWKR-QWRGUYRKSA-N 1 0 240.347 0.653 10 0 BCAERO Cc1ccccc1C(=O)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000262313516 135292327 /nfs/dbraw/zinc/29/23/27/135292327.db2.gz QQEGOTZWPNODGN-JQWIXIFHSA-N 1 0 234.299 0.305 10 0 BCAERO OC[C@@H]1CCC[C@H](CNC2=[NH+]CCCN2)C1 ZINC000262321543 135293004 /nfs/dbraw/zinc/29/30/04/135293004.db2.gz RMSXTRGGJJJDCY-WDEREUQCSA-N 1 0 225.336 0.724 10 0 BCAERO CC(C)(C)SCC(=O)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000262339006 135293967 /nfs/dbraw/zinc/29/39/67/135293967.db2.gz SXSADSOBJOSUTM-IUCAKERBSA-N 1 0 246.376 0.215 10 0 BCAERO COC[C@H]([NH3+])C(=O)NC1(c2ccccc2)CC1 ZINC000262351241 135294829 /nfs/dbraw/zinc/29/48/29/135294829.db2.gz ULNYVXSGICTWCT-NSHDSACASA-N 1 0 234.299 0.766 10 0 BCAERO O=C(CCC1CCC1)NC[C@H]1C[NH2+]C[C@H]1O ZINC000262360543 135296658 /nfs/dbraw/zinc/29/66/58/135296658.db2.gz VDQRUMYNCQNFAO-GHMZBOCLSA-N 1 0 226.320 0.263 10 0 BCAERO O=C(CCC1CCC1)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262360545 135296843 /nfs/dbraw/zinc/29/68/43/135296843.db2.gz VDQRUMYNCQNFAO-MNOVXSKESA-N 1 0 226.320 0.263 10 0 BCAERO COC[C@@H]([NH3+])C(=O)NC[C@@H](O)C1CCCCC1 ZINC000262360671 135297042 /nfs/dbraw/zinc/29/70/42/135297042.db2.gz VNNNSGNRGUDHRJ-GHMZBOCLSA-N 1 0 244.335 0.018 10 0 BCAERO COC[C@H]([NH3+])C(=O)NCC1Cc2ccccc2C1 ZINC000262380118 135298016 /nfs/dbraw/zinc/29/80/16/135298016.db2.gz XSWGAJVYGREJAU-ZDUSSCGKSA-N 1 0 248.326 0.491 10 0 BCAERO COC[C@H]([NH3+])C(=O)Nc1cc(Cl)ccc1O ZINC000262383024 135298079 /nfs/dbraw/zinc/29/80/79/135298079.db2.gz YCIRRVMHBIJUEF-ZETCQYMHSA-N 1 0 244.678 0.958 10 0 BCAERO C[C@@H]1CC[C@H](CC(=O)NC[C@H]2C[NH2+]C[C@H]2O)C1 ZINC000262372676 135298089 /nfs/dbraw/zinc/29/80/89/135298089.db2.gz WIHBHPCUYBELKQ-WRWGMCAJSA-N 1 0 240.347 0.509 10 0 BCAERO C[C@@H](CO)[C@@H](C)NC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000262384516 135298230 /nfs/dbraw/zinc/29/82/30/135298230.db2.gz LYCWTILHAMOMKB-MMWGEVLESA-N 1 0 228.336 0.508 10 0 BCAERO COC[C@H]([NH3+])C(=O)NC[C@]1(C)CCCC[C@H]1O ZINC000262392510 135298896 /nfs/dbraw/zinc/29/88/96/135298896.db2.gz YYNZAKVOENCICM-UMNHJUIQSA-N 1 0 244.335 0.018 10 0 BCAERO CC(C)[C@H]1OCC[C@@H]1CNC(=O)C(C)(C)[NH3+] ZINC000262494042 135302679 /nfs/dbraw/zinc/30/26/79/135302679.db2.gz YMNKWUQZBXMOEC-NXEZZACHSA-N 1 0 228.336 0.901 10 0 BCAERO CN(C(=O)[C@H]([NH3+])C1CCOCC1)C1CCC1 ZINC000262558587 135305392 /nfs/dbraw/zinc/30/53/92/135305392.db2.gz QEGFKAYPVDSGNU-LLVKDONJSA-N 1 0 226.320 0.751 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N[C@@H](C(N)=O)C(C)(C)C ZINC000262553648 135305833 /nfs/dbraw/zinc/30/58/33/135305833.db2.gz ZTQZGEMRVKHQCP-YUMQZZPRSA-N 1 0 229.324 0.130 10 0 BCAERO C[C@@H]1COC[C@H](C)N1C(=O)C[NH2+]CC1CC1 ZINC000262651953 135311301 /nfs/dbraw/zinc/31/13/01/135311301.db2.gz XGSOOKYFYZGERS-AOOOYVTPSA-N 1 0 226.320 0.622 10 0 BCAERO CCCOCc1nc([C@H]2C[NH2+]CCN2C)no1 ZINC000263110470 135333122 /nfs/dbraw/zinc/33/31/22/135333122.db2.gz AGZCDRHQOPISTN-SECBINFHSA-N 1 0 240.307 0.572 10 0 BCAERO Cc1ncccc1CNC[C@@H]1C[NH2+]C[C@H]1O ZINC000263122468 135333844 /nfs/dbraw/zinc/33/38/44/135333844.db2.gz BAXVIHSFZMBHDC-VXGBXAGGSA-N 1 0 221.304 0.060 10 0 BCAERO CC(C)n1nccc1CNC[C@H]1C[NH2+]C[C@@H]1O ZINC000263168215 135337178 /nfs/dbraw/zinc/33/71/78/135337178.db2.gz FKSFTOGILZWBRO-JQWIXIFHSA-N 1 0 238.335 0.134 10 0 BCAERO CC[C@H](OC)c1nc([C@H]2C[NH2+]CCN2C)no1 ZINC000263219398 135339945 /nfs/dbraw/zinc/33/99/45/135339945.db2.gz LOPYLSPKIXLVQW-BDAKNGLRSA-N 1 0 240.307 0.743 10 0 BCAERO O[C@@H]1C[NH2+]C[C@H]1CNCc1cccc2c1NCC2 ZINC000263217824 135340124 /nfs/dbraw/zinc/34/01/24/135340124.db2.gz LEJWPZJSPAHLBD-CHWSQXEVSA-N 1 0 247.342 0.325 10 0 BCAERO CCOCc1nc([C@@H]2C[NH2+]CCN2C)no1 ZINC000263212728 135340163 /nfs/dbraw/zinc/34/01/63/135340163.db2.gz KMMNCFFBACDCFL-QMMMGPOBSA-N 1 0 226.280 0.182 10 0 BCAERO CC(C)OCc1nc([C@H]2C[NH2+]CCN2C)no1 ZINC000263211748 135340200 /nfs/dbraw/zinc/34/02/00/135340200.db2.gz KIKZPYLAANQYGT-SECBINFHSA-N 1 0 240.307 0.571 10 0 BCAERO O[C@@H]1C[NH2+]C[C@@H]1CNCc1cccc(F)c1 ZINC000263216199 135340479 /nfs/dbraw/zinc/34/04/79/135340479.db2.gz KXRXQEKXLPUISP-CMPLNLGQSA-N 1 0 224.279 0.496 10 0 BCAERO C[C@@H](COCc1ccccc1)NC(=O)C1C[NH2+]C1 ZINC000263231918 135340933 /nfs/dbraw/zinc/34/09/33/135340933.db2.gz AXHZUVQEDJWEEC-NSHDSACASA-N 1 0 248.326 0.927 10 0 BCAERO O[C@@H]1C[NH2+]C[C@@H]1CNCc1ccc(F)c(F)c1 ZINC000263225308 135341068 /nfs/dbraw/zinc/34/10/68/135341068.db2.gz MSLMBJAKIOWNRO-JOYOIKCWSA-N 1 0 242.269 0.635 10 0 BCAERO O[C@@H]1C[NH2+]C[C@H]1CNCc1cc(F)ccc1F ZINC000263229046 135341072 /nfs/dbraw/zinc/34/10/72/135341072.db2.gz NEBSPVJOBZDUEM-BXKDBHETSA-N 1 0 242.269 0.635 10 0 BCAERO C[NH2+]CCN(C)C(=O)c1c[nH]c(C2CC2)n1 ZINC000263232264 135341195 /nfs/dbraw/zinc/34/11/95/135341195.db2.gz IMXGGYCHRJWCIY-UHFFFAOYSA-N 1 0 222.292 0.579 10 0 BCAERO CC(C)[C@@H](O)C(C)(C)CNC(=O)C1C[NH2+]C1 ZINC000263242971 135341792 /nfs/dbraw/zinc/34/17/92/135341792.db2.gz CMJAYQUSTCLMPZ-SNVBAGLBSA-N 1 0 228.336 0.365 10 0 BCAERO C[C@@H]1CCCC[C@@H]1OCCNC(=O)C1C[NH2+]C1 ZINC000263240465 135342163 /nfs/dbraw/zinc/34/21/63/135342163.db2.gz CCXXBFVXZCRQKC-PWSUYJOCSA-N 1 0 240.347 0.917 10 0 BCAERO CC(=O)Nc1cccc(CNC(=O)C2C[NH2+]C2)c1 ZINC000263255733 135342789 /nfs/dbraw/zinc/34/27/89/135342789.db2.gz FMLIBNCZUFBCPP-UHFFFAOYSA-N 1 0 247.298 0.481 10 0 BCAERO Cc1cc(-c2nc([C@@H]3C[NH2+]CCN3C)no2)n[nH]1 ZINC000263276861 135343426 /nfs/dbraw/zinc/34/34/26/135343426.db2.gz SYQCLPKUDUDNDR-VIFPVBQESA-N 1 0 248.290 0.344 10 0 BCAERO CC(C)n1cc(CNC[C@@H]2C[NH2+]C[C@@H]2O)cn1 ZINC000263312594 135346092 /nfs/dbraw/zinc/34/60/92/135346092.db2.gz YZHBQUIHZPGWES-NEPJUHHUSA-N 1 0 238.335 0.134 10 0 BCAERO CC(=O)N[C@@H]1CCC[N@H+](C[C@@H]2CCCO2)C1 ZINC000079885522 135363261 /nfs/dbraw/zinc/36/32/61/135363261.db2.gz BXWCEGUBLVVOHP-NEPJUHHUSA-N 1 0 226.320 0.766 10 0 BCAERO CC[C@@H](COC)NC(=O)C1(C[NH3+])CCOCC1 ZINC000079744514 135397114 /nfs/dbraw/zinc/39/71/14/135397114.db2.gz WLHZSNZUNDDSBL-JTQLQIEISA-N 1 0 244.335 0.283 10 0 BCAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N(C)Cc1cc[nH]n1 ZINC000335588965 135417775 /nfs/dbraw/zinc/41/77/75/135417775.db2.gz ALWSJHYCGJWQIY-ONGXEEELSA-N 1 0 236.319 0.756 10 0 BCAERO C[C@@H]1CN(C(=O)C2(C)C[NH2+]C2)C[C@@H](C)O1 ZINC000335621667 135418474 /nfs/dbraw/zinc/41/84/74/135418474.db2.gz JPNCECAWOXEPKS-RKDXNWHRSA-N 1 0 212.293 0.232 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)NCc1ccccn1 ZINC000082558869 135439099 /nfs/dbraw/zinc/43/90/99/135439099.db2.gz JHZAHBCCPQUWAY-MWLCHTKSSA-N 1 0 219.288 0.553 10 0 BCAERO Cn1nccc1CNC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000085013102 135478392 /nfs/dbraw/zinc/47/83/92/135478392.db2.gz GJGZVAMDGGYLGW-BDAKNGLRSA-N 1 0 222.292 0.164 10 0 BCAERO COc1cc(NC[C@@H]2CCC[NH2+]C2)ncn1 ZINC000085481264 135485276 /nfs/dbraw/zinc/48/52/76/135485276.db2.gz WELXEAJAKBTJTN-SECBINFHSA-N 1 0 222.292 0.897 10 0 BCAERO O=C(C[C@@H]1CCCO1)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000087236643 135503091 /nfs/dbraw/zinc/50/30/91/135503091.db2.gz ULPCOGLSDMMYMM-MBYGNEARSA-N 1 0 238.331 0.955 10 0 BCAERO C[C@]1(CNC(=O)[C@H]2CC[NH2+]C2)CCCS1 ZINC000087796643 135513688 /nfs/dbraw/zinc/51/36/88/135513688.db2.gz FCJWIYSZZKEEOE-GXSJLCMTSA-N 1 0 228.361 0.998 10 0 BCAERO Cc1cc(=O)[nH]cc1C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000193530720 135594226 /nfs/dbraw/zinc/59/42/26/135594226.db2.gz CDVQGXZZVIWTOC-MWLCHTKSSA-N 1 0 249.314 0.554 10 0 BCAERO C[C@H]1[NH2+]CCC[C@@H]1C(=O)NCc1cnn(C)c1 ZINC000094647982 135616558 /nfs/dbraw/zinc/61/65/58/135616558.db2.gz CEHXRNLDICLWDA-KOLCDFICSA-N 1 0 236.319 0.424 10 0 BCAERO Fc1cccc(CN2CCO[C@@H]3C[NH2+]C[C@@H]32)c1 ZINC000334822119 135833230 /nfs/dbraw/zinc/83/32/30/135833230.db2.gz UDQIRIIVQSVENB-QWHCGFSZSA-N 1 0 236.290 0.998 10 0 BCAERO C[C@@H]1CC[C@@H](NC(=O)N(C)C2C[NH2+]C2)C1 ZINC000334933557 135844898 /nfs/dbraw/zinc/84/48/98/135844898.db2.gz YFBXBZSSTDPKFC-RKDXNWHRSA-N 1 0 211.309 0.788 10 0 BCAERO COCCNC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000113575430 136014468 /nfs/dbraw/zinc/01/44/68/136014468.db2.gz BLOLHHIQNFKBRX-WDEREUQCSA-N 1 0 241.335 0.511 10 0 BCAERO Cc1cc(C[NH2+][C@H]2CCO[C@H]2C)nn1C ZINC000348189037 136048851 /nfs/dbraw/zinc/04/88/51/136048851.db2.gz MVTUTDAOHMSFOQ-ONGXEEELSA-N 1 0 209.293 0.996 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N1CC[C@H](C(C)C)C1 ZINC000166146309 136095228 /nfs/dbraw/zinc/09/52/28/136095228.db2.gz GKRVYZWBDAHDOR-VHSXEESVSA-N 1 0 214.309 0.465 10 0 BCAERO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)NCC1CC1 ZINC000335594837 136104178 /nfs/dbraw/zinc/10/41/78/136104178.db2.gz BPOIMAFRMKBGED-SCZZXKLOSA-N 1 0 211.309 0.836 10 0 BCAERO Cc1ncccc1C[NH2+][C@@H]1CCCNC1=O ZINC000335569260 136108756 /nfs/dbraw/zinc/10/87/56/136108756.db2.gz IGUUXTRNTUEXNK-LLVKDONJSA-N 1 0 219.288 0.758 10 0 BCAERO CCNC(=O)CC[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000047943740 322844714 /nfs/dbraw/zinc/84/47/14/322844714.db2.gz INBWHJLLWHIJQK-UWVGGRQHSA-N 1 0 214.309 0.670 10 0 BCAERO COC[C@H](C)NC(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000381594238 397762209 /nfs/dbraw/zinc/76/22/09/397762209.db2.gz KWEZNYOTSPPQGS-NGZCFLSTSA-N 1 0 212.293 0.137 10 0 BCAERO CN(CC(F)F)C(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000158020646 397941458 /nfs/dbraw/zinc/94/14/58/397941458.db2.gz PZJPNPZFOUVICN-RQJHMYQMSA-N 1 0 206.236 0.837 10 0 BCAERO O=S1(=O)CC[C@H]([NH2+][C@@H]2C=CCC2)C1 ZINC000575462105 397942786 /nfs/dbraw/zinc/94/27/86/397942786.db2.gz KNRRKKWGEMBPEO-BDAKNGLRSA-N 1 0 201.291 0.482 10 0 BCAERO O=S1CCC([NH2+][C@@H]2CC[C@H]2O)CC1 ZINC000575463790 397946547 /nfs/dbraw/zinc/94/65/47/397946547.db2.gz DAKCJZSRLQNOKE-CNLDYIBBSA-N 1 0 203.307 0.010 10 0 BCAERO [NH3+][C@@H]1CCO[C@H]1[C@H](O)c1cnsc1 ZINC000575464580 397950511 /nfs/dbraw/zinc/95/05/11/397950511.db2.gz QOUWOYHCZKPRPQ-BWZBUEFSSA-N 1 0 200.263 0.293 10 0 BCAERO CS[C@@H]1C[NH2+]C[C@H]1N1CC[C@@H](F)C1 ZINC000575472202 397954657 /nfs/dbraw/zinc/95/46/57/397954657.db2.gz JFYPWLAUBJDJBS-IWSPIJDZSA-N 1 0 204.314 0.734 10 0 BCAERO Cc1nn(C)cc1C(=O)N1CC[C@@H]([NH3+])[C@H]1C ZINC000390601642 397897088 /nfs/dbraw/zinc/89/70/88/397897088.db2.gz WBPDIZZXDHVFHA-PSASIEDQSA-N 1 0 222.292 0.290 10 0 BCAERO COC(=O)[C@@H]([NH3+])[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000259501228 397901588 /nfs/dbraw/zinc/90/15/88/397901588.db2.gz ATTLKRBHQFKKPL-KZVJFYERSA-N 1 0 201.266 0.690 10 0 BCAERO CCc1nc(CC[NH2+][C@H](C)COC)no1 ZINC000164992726 398001450 /nfs/dbraw/zinc/00/14/50/398001450.db2.gz VBWKCNTXTXVUBU-MRVPVSSYSA-N 1 0 213.281 0.799 10 0 BCAERO CCc1nc(CC[NH2+][C@@H](C)COC)no1 ZINC000164992604 398001603 /nfs/dbraw/zinc/00/16/03/398001603.db2.gz VBWKCNTXTXVUBU-QMMMGPOBSA-N 1 0 213.281 0.799 10 0 BCAERO Brc1cncnc1NCC1C[NH2+]C1 ZINC000307180853 398011245 /nfs/dbraw/zinc/01/12/45/398011245.db2.gz LVPCSZBSBRMYCZ-UHFFFAOYSA-N 1 0 243.108 0.870 10 0 BCAERO C[C@H](C(N)=S)[N@@H+]1CCCOC[C@@H]1C ZINC000307185241 398016681 /nfs/dbraw/zinc/01/66/81/398016681.db2.gz RXQQFDHXEBHZMH-JGVFFNPUSA-N 1 0 202.323 0.772 10 0 BCAERO CC(C)(C)[C@H](O)C[NH2+][C@H]1CCC[C@@H]1O ZINC000324379497 398018983 /nfs/dbraw/zinc/01/89/83/398018983.db2.gz WAFVANPKTAFKEW-LPEHRKFASA-N 1 0 201.310 0.896 10 0 BCAERO CC(=O)NCCCNC(=O)[C@@H]1CCC[NH2+][C@H]1C ZINC000383454649 398020239 /nfs/dbraw/zinc/02/02/39/398020239.db2.gz DMXZUMRDCRKFFK-GXSJLCMTSA-N 1 0 241.335 0.017 10 0 BCAERO C[NH2+][C@H](C)C(=O)N(C)[C@H]1CCSC1 ZINC000054072043 398023175 /nfs/dbraw/zinc/02/31/75/398023175.db2.gz OUINFUNUVRLRCQ-SFYZADRCSA-N 1 0 202.323 0.558 10 0 BCAERO O=C(C[NH2+]C1CC1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000037815455 398023915 /nfs/dbraw/zinc/02/39/15/398023915.db2.gz KYKZXWMDJMERGI-VXGBXAGGSA-N 1 0 238.331 0.908 10 0 BCAERO C[NH2+][C@H](C)C(=O)N[C@@H](C)c1nnc2ccccn21 ZINC000054073338 398025201 /nfs/dbraw/zinc/02/52/01/398025201.db2.gz PXXUALSNJVMQQL-DTWKUNHWSA-N 1 0 247.302 0.514 10 0 BCAERO CCN(C(=O)[C@H]1C[NH2+]CCOC1)C1CC1 ZINC000643634328 398031288 /nfs/dbraw/zinc/03/12/88/398031288.db2.gz BNDIWVHQFRQSCN-VIFPVBQESA-N 1 0 212.293 0.233 10 0 BCAERO CC[N@@H+]1CC[C@H](NC(=O)CCCCO)C1 ZINC000389142428 398036767 /nfs/dbraw/zinc/03/67/67/398036767.db2.gz HMWSSJSFMBQBQM-JTQLQIEISA-N 1 0 214.309 0.359 10 0 BCAERO [NH3+][C@H]1CCC[C@@H]1CNC(=O)C(F)(F)F ZINC000307118540 397980800 /nfs/dbraw/zinc/98/08/00/397980800.db2.gz QUFKWYBXXNPBRC-RITPCOANSA-N 1 0 210.199 0.792 10 0 BCAERO Cc1nnsc1C[C@]1([NH3+])CCO[C@H]1C ZINC000307142462 397988710 /nfs/dbraw/zinc/98/87/10/397988710.db2.gz DXSJPNGCOJTEPS-IONNQARKSA-N 1 0 213.306 0.895 10 0 BCAERO CN(C[C@H]1CCOC1)C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000398827033 398063180 /nfs/dbraw/zinc/06/31/80/398063180.db2.gz GDTCZKNFLBXEIG-NWDGAFQWSA-N 1 0 240.347 0.871 10 0 BCAERO COC(=O)[C@](C)(O)C[N@@H+]1CCC[C@@H]1CCCO ZINC000083807860 398067254 /nfs/dbraw/zinc/06/72/54/398067254.db2.gz JFPQPJSIAVJKEH-ZYHUDNBSSA-N 1 0 245.319 0.147 10 0 BCAERO [NH3+][C@H](CO)c1nc(-c2cccs2)n[nH]1 ZINC000054700180 398070564 /nfs/dbraw/zinc/07/05/64/398070564.db2.gz GNLWYSCIBONDSJ-RXMQYKEDSA-N 1 0 210.262 0.525 10 0 BCAERO CC(C)(C)[C@H](O)C[NH2+]C[C@@H]1COCCO1 ZINC000389453820 398093928 /nfs/dbraw/zinc/09/39/28/398093928.db2.gz VZXSLDIBTROWAP-NXEZZACHSA-N 1 0 217.309 0.398 10 0 BCAERO Fc1cnc(NCCC2CC[NH2+]CC2)nc1 ZINC000650310346 398093965 /nfs/dbraw/zinc/09/39/65/398093965.db2.gz ZIYZZFDENNWVNO-UHFFFAOYSA-N 1 0 224.283 0.839 10 0 BCAERO Cc1noc(CNC(=O)[C@@H]2CCC[NH2+][C@H]2C)n1 ZINC000384245925 398079468 /nfs/dbraw/zinc/07/94/68/398079468.db2.gz KIVUSNZGNRNGTI-IONNQARKSA-N 1 0 238.291 0.382 10 0 BCAERO Cc1noc(CNC(=O)[C@H]2CCC[NH2+][C@@H]2C)n1 ZINC000384245920 398079471 /nfs/dbraw/zinc/07/94/71/398079471.db2.gz KIVUSNZGNRNGTI-APPZFPTMSA-N 1 0 238.291 0.382 10 0 BCAERO C[C@H]1[NH2+]CCC[C@@H]1C(=O)N(C)Cc1ncc[nH]1 ZINC000384444908 398089412 /nfs/dbraw/zinc/08/94/12/398089412.db2.gz ZYOZNGLCZYDFOH-ZJUUUORDSA-N 1 0 236.319 0.756 10 0 BCAERO CSCCC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000116788537 398090099 /nfs/dbraw/zinc/09/00/99/398090099.db2.gz ZUSBVEFRGOKCCE-SNVBAGLBSA-N 1 0 246.376 0.529 10 0 BCAERO CN1CCO[C@@H](C[NH2+]CCC2CCOCC2)C1 ZINC000384035801 398056457 /nfs/dbraw/zinc/05/64/57/398056457.db2.gz UGAOMLZWIJSIHO-ZDUSSCGKSA-N 1 0 242.363 0.723 10 0 BCAERO CC[C@@H]1C[N@H+](C[C@](C)(O)CC)C[C@H]1O ZINC000400031187 398057747 /nfs/dbraw/zinc/05/77/47/398057747.db2.gz HJEMIILRDWSSOF-GMTAPVOTSA-N 1 0 201.310 0.850 10 0 BCAERO C[C@@H]1C[C@H](NC(=O)[C@@H]2CC[NH2+]C2)[C@@H](C)O1 ZINC000384602755 398099599 /nfs/dbraw/zinc/09/95/99/398099599.db2.gz NXXBRRKNAURMDU-KYXWUPHJSA-N 1 0 212.293 0.278 10 0 BCAERO COc1cc(OC)nc(NC[C@H](C)[NH3+])n1 ZINC000168449625 398105342 /nfs/dbraw/zinc/10/53/42/398105342.db2.gz KAARVFCNMPFQTP-LURJTMIESA-N 1 0 212.253 0.253 10 0 BCAERO [NH3+][C@H](Cc1csnn1)c1csnn1 ZINC000307357568 398109113 /nfs/dbraw/zinc/10/91/13/398109113.db2.gz CVAZLIWZJQTYBP-RXMQYKEDSA-N 1 0 213.291 0.632 10 0 BCAERO C[NH+](C)[C@@H]1CCN(C[C@@](C)(O)C(F)(F)F)C1 ZINC000309748304 398121743 /nfs/dbraw/zinc/12/17/43/398121743.db2.gz JUKXQPXYACZDBN-RKDXNWHRSA-N 1 0 240.269 0.936 10 0 BCAERO CC(C)COC(=O)N(C)[C@@H]1C[NH2+]C[C@H]1O ZINC000036263795 167020890 /nfs/dbraw/zinc/02/08/90/167020890.db2.gz GVWGAUNEUYNGGV-RKDXNWHRSA-N 1 0 216.281 0.044 10 0 BCAERO C[C@@H]1C[C@@H](O)C[N@H+](C[C@H](O)C(F)(F)F)C1 ZINC000401908240 533674942 /nfs/dbraw/zinc/67/49/42/533674942.db2.gz PFZWTTZSNOCZCV-PRJMDXOYSA-N 1 0 227.226 0.612 10 0 BCAERO CC(C)NC(=O)C[NH2+][C@H](C)C(=O)NC(C)(C)C ZINC000035148327 167060191 /nfs/dbraw/zinc/06/01/91/167060191.db2.gz GQSNSOVYZNDQML-SECBINFHSA-N 1 0 243.351 0.404 10 0 BCAERO COCCC[C@@H](C)C(=O)N1CC[NH2+]CC1 ZINC000237251017 174259644 /nfs/dbraw/zinc/25/96/44/174259644.db2.gz OHBVWISLAJZVMD-SNVBAGLBSA-N 1 0 214.309 0.481 10 0 BCAERO CC(C)[NH2+][C@](C)(C(N)=O)c1ccncc1 ZINC000037446576 167141847 /nfs/dbraw/zinc/14/18/47/167141847.db2.gz NTCBNPGAELBLJP-NSHDSACASA-N 1 0 207.277 0.780 10 0 BCAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+][C@@H]1CCC[C@H]1O ZINC000392958847 487558255 /nfs/dbraw/zinc/55/82/55/487558255.db2.gz IBDLRBOLHYHTBN-SGIHWFKDSA-N 1 0 212.293 0.157 10 0 BCAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]CCc1ccnn1C ZINC000392930713 487558293 /nfs/dbraw/zinc/55/82/93/487558293.db2.gz KDKONCJYEHQDIJ-GXSJLCMTSA-N 1 0 236.319 0.219 10 0 BCAERO CC(C)OC(=O)CN1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040750326 167159130 /nfs/dbraw/zinc/15/91/30/167159130.db2.gz YRLJCCVZFJLAJS-FGWVZKOKSA-N 1 0 226.320 0.892 10 0 BCAERO CC(C)OC(=O)CN1CCC[NH2+]CC1 ZINC000036964294 167159493 /nfs/dbraw/zinc/15/94/93/167159493.db2.gz NSOZYACQIBROKV-UHFFFAOYSA-N 1 0 200.282 0.233 10 0 BCAERO O=S1(=O)CC[C@H]([NH2+][C@H]2CO[C@H](C3CC3)C2)C1 ZINC000667470241 487565028 /nfs/dbraw/zinc/56/50/28/487565028.db2.gz SMDGXWPCMDDOLB-AXFHLTTASA-N 1 0 245.344 0.331 10 0 BCAERO CC(C)OCC(=O)N1CCCC[C@H]1C[NH3+] ZINC000162572797 167180757 /nfs/dbraw/zinc/18/07/57/167180757.db2.gz OAUGLKBHGJSNDQ-JTQLQIEISA-N 1 0 214.309 0.751 10 0 BCAERO CC(C)OC[C@H](O)C[NH2+]C[C@H](O)C(C)(C)C ZINC000324301093 487570366 /nfs/dbraw/zinc/57/03/66/487570366.db2.gz CXLWFGXDNUIKCF-MNOVXSKESA-N 1 0 233.352 0.769 10 0 BCAERO CC(C)OC[C@@H](O)C[NH2+]C[C@@H](O)C(C)(C)C ZINC000324301095 487570312 /nfs/dbraw/zinc/57/03/12/487570312.db2.gz CXLWFGXDNUIKCF-WDEREUQCSA-N 1 0 233.352 0.769 10 0 BCAERO [NH3+]C1(CC(=O)NC[C@H]2CCC[C@H]2O)CCC1 ZINC000086853744 487571313 /nfs/dbraw/zinc/57/13/13/487571313.db2.gz QMQITZSBVNWUIP-NXEZZACHSA-N 1 0 226.320 0.535 10 0 BCAERO CC(C)[C@@H](NC(=O)C1CCC([NH3+])CC1)C(N)=O ZINC000225423611 487572789 /nfs/dbraw/zinc/57/27/89/487572789.db2.gz NTKWQWOJYSNJMX-UDNWOFFPSA-N 1 0 241.335 0.130 10 0 BCAERO C[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@@H](O)C(C)(C)C ZINC000324321298 487574333 /nfs/dbraw/zinc/57/43/33/487574333.db2.gz HTTYLGMPSMWYMT-IVZWLZJFSA-N 1 0 228.336 0.508 10 0 BCAERO O[C@H]1CCC[C@H](C[N@@H+]2CCC[C@H](O)C2)C1 ZINC000308942693 487596222 /nfs/dbraw/zinc/59/62/22/487596222.db2.gz VICPFRHNHIISBY-SRVKXCTJSA-N 1 0 213.321 0.994 10 0 BCAERO O=C1CC[C@H]([NH2+]C2CSC2)C2(CCC2)N1 ZINC000308960082 487597157 /nfs/dbraw/zinc/59/71/57/487597157.db2.gz YXMXNCFURZNVGU-VIFPVBQESA-N 1 0 226.345 0.893 10 0 BCAERO CC(C)S(=O)(=O)CCN1CC[NH2+]C[C@H]1C ZINC000226419160 167317087 /nfs/dbraw/zinc/31/70/87/167317087.db2.gz RCUUMFCEQPFZOE-SNVBAGLBSA-N 1 0 234.365 0.103 10 0 BCAERO CC(C)S(=O)(=O)CCN1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000226540846 167317415 /nfs/dbraw/zinc/31/74/15/167317415.db2.gz WEZUHLASTJCYOB-GHMZBOCLSA-N 1 0 248.392 0.479 10 0 BCAERO CC(C)S(=O)(=O)N[C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000037657542 167319168 /nfs/dbraw/zinc/31/91/68/167319168.db2.gz DENWBPVPHZDIQK-VHSXEESVSA-N 1 0 234.365 0.845 10 0 BCAERO CC(C)S(=O)(=O)N1CCCC[C@@H]1C[NH3+] ZINC000044556286 167319198 /nfs/dbraw/zinc/31/91/98/167319198.db2.gz TYDHINSEBIXLOL-SECBINFHSA-N 1 0 220.338 0.538 10 0 BCAERO CC(C)S(=O)(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000061884130 167320048 /nfs/dbraw/zinc/32/00/48/167320048.db2.gz KAVCAMYCBYGSLK-RKDXNWHRSA-N 1 0 220.338 0.442 10 0 BCAERO c1cnc2nc(NC[C@H]3COCC[NH2+]3)ccc2n1 ZINC000232556089 487606637 /nfs/dbraw/zinc/60/66/37/487606637.db2.gz QLLJOZIXUZXYEE-VIFPVBQESA-N 1 0 245.286 0.425 10 0 BCAERO Cc1nc2ccc(C(=O)NCC[NH3+])cc2o1 ZINC000221317211 487607080 /nfs/dbraw/zinc/60/70/80/487607080.db2.gz LDFYGMXNUIIKFT-UHFFFAOYSA-N 1 0 219.244 0.825 10 0 BCAERO Cc1nc2cc(C(=O)NCC[NH3+])ccc2o1 ZINC000221317298 487607715 /nfs/dbraw/zinc/60/77/15/487607715.db2.gz ZFOGOUVRTLGMLO-UHFFFAOYSA-N 1 0 219.244 0.825 10 0 BCAERO C[C@@H]1CN(C(=O)[C@H]2C[C@H]([NH3+])C2)C[C@@H](C)O1 ZINC000662428513 409711248 /nfs/dbraw/zinc/71/12/48/409711248.db2.gz CPQNXZRWVVGVIN-ZYUZMQFOSA-N 1 0 212.293 0.360 10 0 BCAERO CN(CC1=CCCOC1)C(=O)[C@H]1CC[NH2+]C1 ZINC000662662776 409822053 /nfs/dbraw/zinc/82/20/53/409822053.db2.gz VKSBTNPKHJHBJK-NSHDSACASA-N 1 0 224.304 0.401 10 0 BCAERO CN(C)C(=O)CC[NH2+]C[C@@H](O)C(C)(C)C ZINC000308840939 409915308 /nfs/dbraw/zinc/91/53/08/409915308.db2.gz YQZPMZRGBSOXAD-SECBINFHSA-N 1 0 216.325 0.461 10 0 BCAERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)[C@@H]1CC=CCC1 ZINC000653138777 409861518 /nfs/dbraw/zinc/86/15/18/409861518.db2.gz JRUOHKQIRGQHOZ-OUAUKWLOSA-N 1 0 224.304 0.039 10 0 BCAERO CC[C@@H]1CN(C(=O)[C@H]([NH3+])COC)[C@H](CC)CO1 ZINC000403827684 409891421 /nfs/dbraw/zinc/89/14/21/409891421.db2.gz OZQLVAVHSQMFNW-GMTAPVOTSA-N 1 0 244.335 0.376 10 0 BCAERO CC(C)Cc1noc(Cn2cc(C[NH3+])nn2)n1 ZINC000050224918 409930791 /nfs/dbraw/zinc/93/07/91/409930791.db2.gz UXLUVHLQJYIHLH-UHFFFAOYSA-N 1 0 236.279 0.367 10 0 BCAERO Cc1cn(C)nc1NC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000662970266 409999298 /nfs/dbraw/zinc/99/92/98/409999298.db2.gz HNPILCFKKHVEGF-RKDXNWHRSA-N 1 0 222.292 0.794 10 0 BCAERO [NH3+][C@H]1CCCN(C(=O)[C@H]2CCCS2)C1 ZINC000069986578 410074780 /nfs/dbraw/zinc/07/47/80/410074780.db2.gz RGLINTZXOFMOCH-DTWKUNHWSA-N 1 0 214.334 0.832 10 0 BCAERO Cc1c(C[NH2+][C@H]2CCC[C@@H]2O)cnn1C ZINC000126250375 410081194 /nfs/dbraw/zinc/08/11/94/410081194.db2.gz SINVGUNITCPTOI-QWRGUYRKSA-N 1 0 209.293 0.732 10 0 BCAERO O=C(CC[C@H]1CCC[NH2+]1)N[C@H]1CCOC1 ZINC000309016517 410197006 /nfs/dbraw/zinc/19/70/06/410197006.db2.gz UPDWGCZLFGFRHJ-ZJUUUORDSA-N 1 0 212.293 0.424 10 0 BCAERO CCOC[C@H](O)C[NH2+]C[C@@H](O)C(C)(C)C ZINC000309043075 410205654 /nfs/dbraw/zinc/20/56/54/410205654.db2.gz LBXKSCWVRCQUCM-NXEZZACHSA-N 1 0 219.325 0.380 10 0 BCAERO COC[C@H]([NH3+])C(=O)NCC1(CO)CCCCC1 ZINC000125653355 410318511 /nfs/dbraw/zinc/31/85/11/410318511.db2.gz WCEHNXOMKWQJBO-JTQLQIEISA-N 1 0 244.335 0.019 10 0 BCAERO CC(C)[C@@H]([NH3+])CC(=O)NCc1nccn1C ZINC000129057977 410367540 /nfs/dbraw/zinc/36/75/40/410367540.db2.gz AYAUDAHPRPAHEQ-VIFPVBQESA-N 1 0 224.308 0.410 10 0 BCAERO CN(c1ccc2nccnc2n1)C1C[NH2+]C1 ZINC000087201280 487616330 /nfs/dbraw/zinc/61/63/30/487616330.db2.gz QHGIJRRCCJPLTK-UHFFFAOYSA-N 1 0 215.260 0.433 10 0 BCAERO CCn1ccnc1Cn1cc(C(C)(C)[NH3+])nn1 ZINC000070118507 410664464 /nfs/dbraw/zinc/66/44/64/410664464.db2.gz WVVUHIGCTZWWGL-UHFFFAOYSA-N 1 0 234.307 0.737 10 0 BCAERO CCc1noc(Cn2cc(C(C)(C)[NH3+])nn2)n1 ZINC000070118119 410664861 /nfs/dbraw/zinc/66/48/61/410664861.db2.gz DDUUCKWTRPYDQM-UHFFFAOYSA-N 1 0 236.279 0.466 10 0 BCAERO CC(C)(C)[NH2+]CC(=O)NC1CCOCC1 ZINC000060230399 166630476 /nfs/dbraw/zinc/63/04/76/166630476.db2.gz XLNJRLIOCQKNIW-UHFFFAOYSA-N 1 0 214.309 0.670 10 0 BCAERO Cc1cc(C(=O)N2CC[C@@H]([NH3+])[C@@H]2C)n(C)n1 ZINC000309265216 410692334 /nfs/dbraw/zinc/69/23/34/410692334.db2.gz FDIDAUNRUCKDBP-DTWKUNHWSA-N 1 0 222.292 0.290 10 0 BCAERO CC(C)(C)OC(=O)N1CC2(C1)C[NH2+]CC[C@H]2O ZINC000096987284 166645278 /nfs/dbraw/zinc/64/52/78/166645278.db2.gz NDPVLMIRCOUNJR-SECBINFHSA-N 1 0 242.319 0.578 10 0 BCAERO Cc1c(C[NH2+]C2COCCOC2)cnn1C ZINC000309294429 410746346 /nfs/dbraw/zinc/74/63/46/410746346.db2.gz KNJJMMAPTQKNNI-UHFFFAOYSA-N 1 0 225.292 0.234 10 0 BCAERO CC[N@H+](CCO)C[C@H]1CCC[C@@H](O)C1 ZINC000308573506 410722046 /nfs/dbraw/zinc/72/20/46/410722046.db2.gz LNBXAHODFBPLGS-WDEREUQCSA-N 1 0 201.310 0.852 10 0 BCAERO C[C@H]([NH3+])CNc1ccc(Br)nn1 ZINC000575586238 410742108 /nfs/dbraw/zinc/74/21/08/410742108.db2.gz ALBODHDEXBBMFB-YFKPBYRVSA-N 1 0 231.097 0.998 10 0 BCAERO C[C@H]([NH3+])CC(=O)N=c1cc(C2CC2)[nH][nH]1 ZINC000393820920 410764634 /nfs/dbraw/zinc/76/46/34/410764634.db2.gz KOPAKEFJHZOVAO-LURJTMIESA-N 1 0 208.265 0.385 10 0 BCAERO Cc1cnc(CCNC(=O)[C@H]2CC[NH2+]C2)c(C)c1 ZINC000655489159 410795036 /nfs/dbraw/zinc/79/50/36/410795036.db2.gz UPDKPRKOVCSYJR-LBPRGKRZSA-N 1 0 247.342 0.967 10 0 BCAERO COCC1(CNC(=O)[C@H]2CCC[NH2+][C@H]2C)CC1 ZINC000655490012 410803461 /nfs/dbraw/zinc/80/34/61/410803461.db2.gz DDQQSAVAWSJBDH-QWRGUYRKSA-N 1 0 240.347 0.917 10 0 BCAERO COCC1(CNC(=O)[C@@]2(C)CCC[NH2+]2)CC1 ZINC000655490948 410809412 /nfs/dbraw/zinc/80/94/12/410809412.db2.gz WYSAQYWATOUBCW-LLVKDONJSA-N 1 0 226.320 0.671 10 0 BCAERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)N[C@H]1CCSC1 ZINC000395232719 410845429 /nfs/dbraw/zinc/84/54/29/410845429.db2.gz CQWNGXAQHNZMSG-LPEHRKFASA-N 1 0 228.361 0.996 10 0 BCAERO CC(C)CN(CC(N)=O)c1ccc(C[NH3+])cn1 ZINC000042690736 166954206 /nfs/dbraw/zinc/95/42/06/166954206.db2.gz JZIDMTXKYSIELA-UHFFFAOYSA-N 1 0 236.319 0.488 10 0 BCAERO CC(C)CNC(=O)[C@@H](C)[NH2+]C[C@@H]1CCCO1 ZINC000034937555 166992915 /nfs/dbraw/zinc/99/29/15/166992915.db2.gz GONXZKLCYWKQOQ-MNOVXSKESA-N 1 0 228.336 0.916 10 0 BCAERO Cc1nccc(C(=O)NC[C@H]2CC[NH2+]C2)n1 ZINC000396902519 410903699 /nfs/dbraw/zinc/90/36/99/410903699.db2.gz ZKFBMGCWMWVAEW-VIFPVBQESA-N 1 0 220.276 0.124 10 0 BCAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2ccn[nH]2)C1 ZINC000159018372 167028940 /nfs/dbraw/zinc/02/89/40/167028940.db2.gz DRIXMKSZXUINFH-KOLCDFICSA-N 1 0 236.319 0.868 10 0 BCAERO CC(C)NC(=O)CN(C)[C@H]1CCC[NH2+]C1 ZINC000042608009 167047691 /nfs/dbraw/zinc/04/76/91/167047691.db2.gz ROHJUNBJLDHUBW-JTQLQIEISA-N 1 0 213.325 0.195 10 0 BCAERO CC(C)NC(=O)CN(C)[C@H]1CCC[C@@H]1[NH3+] ZINC000042609844 167048079 /nfs/dbraw/zinc/04/80/79/167048079.db2.gz GEJSXYHNHQBJQW-UWVGGRQHSA-N 1 0 213.325 0.323 10 0 BCAERO CCN(CC)CC[NH2+]C[C@H]1CCOC1 ZINC000019919596 169780121 /nfs/dbraw/zinc/78/01/21/169780121.db2.gz HBNXMUXRNKRCON-LLVKDONJSA-N 1 0 200.326 0.954 10 0 BCAERO CC(C)[NH2+]CC(=O)N[C@@H]1CCC[C@@H](O)C1 ZINC000037477212 167096554 /nfs/dbraw/zinc/09/65/54/167096554.db2.gz KAXZREHAKRCUDX-NXEZZACHSA-N 1 0 214.309 0.404 10 0 BCAERO CC(C)[NH2+]CC(=O)N[C@@H]1CCCC[C@@H]1O ZINC000052009903 167097744 /nfs/dbraw/zinc/09/77/44/167097744.db2.gz VQHUAVPKEPGDHS-ZJUUUORDSA-N 1 0 214.309 0.404 10 0 BCAERO CC(C)[NH2+]CCN(C)CCn1cccn1 ZINC000042691168 167103044 /nfs/dbraw/zinc/10/30/44/167103044.db2.gz CGDBMDUOYUBHON-UHFFFAOYSA-N 1 0 210.325 0.813 10 0 BCAERO CC(C)[NH2+]CC[C@H]1CCS(=O)(=O)C1 ZINC000052949287 167109752 /nfs/dbraw/zinc/10/97/52/167109752.db2.gz RKSBKHUQCSREAF-VIFPVBQESA-N 1 0 205.323 0.809 10 0 BCAERO CC(C)[NH2+]C[C@@H](C)N1CCS(=O)(=O)CC1 ZINC000052480213 167111194 /nfs/dbraw/zinc/11/11/94/167111194.db2.gz WULVCQBPSCOFTC-SNVBAGLBSA-N 1 0 234.365 0.103 10 0 BCAERO CC(C)[NH2+]C[C@H](O)CN1CCCCC1 ZINC000036950451 167115283 /nfs/dbraw/zinc/11/52/83/167115283.db2.gz YHAPTKRSURTVKN-NSHDSACASA-N 1 0 200.326 0.831 10 0 BCAERO CC(C)NS(=O)(=O)[C@H]1CC[N@@H+](C2CCC2)C1 ZINC000336375411 167129003 /nfs/dbraw/zinc/12/90/03/167129003.db2.gz BHOKFTHAIAZRNI-NSHDSACASA-N 1 0 246.376 0.941 10 0 BCAERO CC(C)[NH2+][C@@H](CN1CC[N@H+](C)[C@H](C)C1)C(=O)[O-] ZINC000104138616 167131402 /nfs/dbraw/zinc/13/14/02/167131402.db2.gz GDNHZJGISWIXBV-MNOVXSKESA-N 1 0 243.351 0.074 10 0 BCAERO CC(C)[NH2+][C@@H]1CCC(=O)N[C@@H]1[C@H]1CCCO1 ZINC000377739422 167134751 /nfs/dbraw/zinc/13/47/51/167134751.db2.gz HGPYWIONDKRHCQ-FOGDFJRCSA-N 1 0 226.320 0.811 10 0 BCAERO Cc1nccc(C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)n1 ZINC000396935780 410906560 /nfs/dbraw/zinc/90/65/60/410906560.db2.gz QTGLDCMISRRYAL-GARJFASQSA-N 1 0 246.314 0.594 10 0 BCAERO CC(C)[NH2+][C@H](C(N)=O)c1ccc(O)cc1 ZINC000037869404 167138493 /nfs/dbraw/zinc/13/84/93/167138493.db2.gz PXGSBVJJALUUCZ-JTQLQIEISA-N 1 0 208.261 0.917 10 0 BCAERO CC(C)OCC(=O)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000122284312 167178627 /nfs/dbraw/zinc/17/86/27/167178627.db2.gz JJBQBDMLIMIKSW-LLVKDONJSA-N 1 0 228.336 0.822 10 0 BCAERO CC(C)OCC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000122179900 167181911 /nfs/dbraw/zinc/18/19/11/167181911.db2.gz BBVHWTMPTDLETL-LLVKDONJSA-N 1 0 226.320 0.718 10 0 BCAERO CC(C)OCC(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000162579834 167191802 /nfs/dbraw/zinc/19/18/02/167191802.db2.gz KLOZTACUYRIVKF-UWVGGRQHSA-N 1 0 214.309 0.655 10 0 BCAERO C[C@]1(CNC(=O)[C@@H]2CCC[C@H]2C[NH3+])CCOC1 ZINC000397218877 410916078 /nfs/dbraw/zinc/91/60/78/410916078.db2.gz IIAMXLUHBSOXEP-DMDPSCGWSA-N 1 0 240.347 0.904 10 0 BCAERO CC(C)Oc1ccc([C@H]([NH3+])C(N)=O)cc1 ZINC000037895060 167301030 /nfs/dbraw/zinc/30/10/30/167301030.db2.gz FQKBEPYNLWULPX-JTQLQIEISA-N 1 0 208.261 0.959 10 0 BCAERO CC(C)Oc1ccc([C@H](O)[C@@H]([NH3+])CO)cc1 ZINC000077338498 167301560 /nfs/dbraw/zinc/30/15/60/167301560.db2.gz JUHJYXUEHDXHSE-RYUDHWBXSA-N 1 0 225.288 0.827 10 0 BCAERO CC(C)[C@@H](C)[N@H+](C)[C@]1(CN)CCN(C)C1 ZINC000061990282 167371166 /nfs/dbraw/zinc/37/11/66/167371166.db2.gz QQJHYKRXQWNNKI-NEPJUHHUSA-N 1 0 213.369 0.996 10 0 BCAERO CC(C)[C@@H](C)NC(=O)C[NH2+][C@H]1CCC(=O)NC1 ZINC000104330715 167372684 /nfs/dbraw/zinc/37/26/84/167372684.db2.gz FVLXPCGTWPFNME-ZJUUUORDSA-N 1 0 241.335 0.015 10 0 BCAERO C[C@H](NC(=O)[C@H]1CCC[C@@H]1C[NH3+])c1ncon1 ZINC000398011934 410940262 /nfs/dbraw/zinc/94/02/62/410940262.db2.gz MXEBVDCQBAOMOH-YIZRAAEISA-N 1 0 238.291 0.622 10 0 BCAERO CC(C)[C@@H]([NH3+])CC(=O)N[C@@H](C)c1ncon1 ZINC000398018796 410940679 /nfs/dbraw/zinc/94/06/79/410940679.db2.gz SVOMYZWYJAPJMU-YUMQZZPRSA-N 1 0 226.280 0.620 10 0 BCAERO CC(C)[C@@H](C[NH3+])N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000036869758 167396319 /nfs/dbraw/zinc/39/63/19/167396319.db2.gz UPHQKBRCKISFMZ-NXEZZACHSA-N 1 0 234.365 0.089 10 0 BCAERO COC[C@H](NC(=O)[C@H]1CCC[C@H]1C[NH3+])C1CC1 ZINC000397445695 410924388 /nfs/dbraw/zinc/92/43/88/410924388.db2.gz JYXSFGUDLOPKIW-SRVKXCTJSA-N 1 0 240.347 0.903 10 0 BCAERO CC(C)[C@@H]([NH3+])C(=O)Nc1sccc1C(N)=O ZINC000040859366 167418811 /nfs/dbraw/zinc/41/88/11/167418811.db2.gz WEGPSGUBYRQNIC-SSDOTTSWSA-N 1 0 241.316 0.769 10 0 BCAERO O=C(c1nc[nH]n1)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000104336904 410932662 /nfs/dbraw/zinc/93/26/62/410932662.db2.gz MTSCFDXGNPIWCE-NXEZZACHSA-N 1 0 249.318 0.409 10 0 BCAERO O=C(C[C@@H]1CCC[NH2+]1)N[C@H]1CCC[C@@H](O)C1 ZINC000042166356 410972036 /nfs/dbraw/zinc/97/20/36/410972036.db2.gz IERXHMZNXKOFGF-GARJFASQSA-N 1 0 226.320 0.548 10 0 BCAERO CN(C[C@H]1CCCO1)C(=O)C[NH2+]C1CC1 ZINC000042465892 411005366 /nfs/dbraw/zinc/00/53/66/411005366.db2.gz QFWNSQMCHHCEOG-SNVBAGLBSA-N 1 0 212.293 0.376 10 0 BCAERO CC(C)[C@H](C(=O)NCC[C@H](C)O)[C@H](C)[NH3+] ZINC000399706002 411059441 /nfs/dbraw/zinc/05/94/41/411059441.db2.gz DPPGDKPLNLNSOB-GUBZILKMSA-N 1 0 216.325 0.493 10 0 BCAERO CC(C)[C@H](C(=O)NCC[C@H](C)O)[C@@H](C)[NH3+] ZINC000399705998 411059992 /nfs/dbraw/zinc/05/99/92/411059992.db2.gz DPPGDKPLNLNSOB-AEJSXWLSSA-N 1 0 216.325 0.493 10 0 BCAERO C[C@@H]1C[N@H+]([C@@H]2CCC[C@H]2O)C[C@H](C)[C@H]1O ZINC000661620625 411068921 /nfs/dbraw/zinc/06/89/21/411068921.db2.gz KKXOGIFXCLPXRM-ROHXPCBUSA-N 1 0 213.321 0.849 10 0 BCAERO C[C@@H]1CN(C(=O)[C@@H]2CCCOC2)C[C@H]1[NH3+] ZINC000300047744 411078639 /nfs/dbraw/zinc/07/86/39/411078639.db2.gz FLRLJZRWNCECBN-OPRDCNLKSA-N 1 0 212.293 0.219 10 0 BCAERO CC[NH+](CC)[C@@H]1CCN(C[C@H]([NH2+]C)C(=O)[O-])C1 ZINC000062969037 169798167 /nfs/dbraw/zinc/79/81/67/169798167.db2.gz FYLBSDVTARVPDG-MNOVXSKESA-N 1 0 243.351 0.075 10 0 BCAERO O[C@@H]1C[NH2+]C[C@@H]1CNc1ncnc2ccccc21 ZINC000643040301 411138670 /nfs/dbraw/zinc/13/86/70/411138670.db2.gz QSDLRPWIJUCUCC-BXKDBHETSA-N 1 0 244.298 0.622 10 0 BCAERO CCC(CC)(C[NH3+])C(=O)N[C@@H](C)COC ZINC000044762087 411139901 /nfs/dbraw/zinc/13/99/01/411139901.db2.gz WEZHECIQYWXQJK-VIFPVBQESA-N 1 0 216.325 0.903 10 0 BCAERO COCCOCCNC(=O)C1CCC([NH3+])CC1 ZINC000044727247 411140032 /nfs/dbraw/zinc/14/00/32/411140032.db2.gz QGCOUJHEEPZGMK-UHFFFAOYSA-N 1 0 244.335 0.283 10 0 BCAERO CC1(C)CN(c2ncnc3nc[nH]c32)CC[NH2+]1 ZINC000212725311 411149100 /nfs/dbraw/zinc/14/91/00/411149100.db2.gz FYTFHDCIHYMTRN-UHFFFAOYSA-N 1 0 232.291 0.541 10 0 BCAERO CN(Cc1nccn1C)[C@H]1CCC[NH2+]CC1 ZINC000082666899 411152418 /nfs/dbraw/zinc/15/24/18/411152418.db2.gz SQSWPXXWBOXDLY-NSHDSACASA-N 1 0 222.336 0.994 10 0 BCAERO CN(Cc1cc[nH]n1)C(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000400326068 411155723 /nfs/dbraw/zinc/15/57/23/411155723.db2.gz HVFGDPQUQPMIFC-KOLCDFICSA-N 1 0 236.319 0.743 10 0 BCAERO [NH3+]CCCCC(=O)NCC[C@H]1CCCO1 ZINC000069733579 411158624 /nfs/dbraw/zinc/15/86/24/411158624.db2.gz LQIBGVAGQWFVLH-SNVBAGLBSA-N 1 0 214.309 0.801 10 0 BCAERO NC(=O)[C@]1(O)CCC[N@H+](CC2CC=CC2)C1 ZINC000660520063 411160776 /nfs/dbraw/zinc/16/07/76/411160776.db2.gz CHBQYKMVDLSIGH-LBPRGKRZSA-N 1 0 224.304 0.265 10 0 BCAERO CC(C)[C@H](C)NC(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000131207753 411243570 /nfs/dbraw/zinc/24/35/70/411243570.db2.gz JBHHNELYMUFUGX-NSHDSACASA-N 1 0 241.379 0.831 10 0 BCAERO CCCNC(=O)CNC(=O)C[C@H]([NH3+])C(C)C ZINC000128914507 411189900 /nfs/dbraw/zinc/18/99/00/411189900.db2.gz ALWZYRNRTNFTPO-VIFPVBQESA-N 1 0 229.324 0.002 10 0 BCAERO CC(C)[C@@H]([NH3+])CC(=O)NC[C@@H]1CCCOC1 ZINC000128967974 411193345 /nfs/dbraw/zinc/19/33/45/411193345.db2.gz YMQBKMGITBJWBA-QWRGUYRKSA-N 1 0 228.336 0.903 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)N[C@@H]1CCC[C@H](O)C1 ZINC000128943020 411194533 /nfs/dbraw/zinc/19/45/33/411194533.db2.gz ZCYISDUNWOQFKT-OUAUKWLOSA-N 1 0 228.336 0.780 10 0 BCAERO C[C@H]1CN(C(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)CCS1 ZINC000393243921 411194948 /nfs/dbraw/zinc/19/49/48/411194948.db2.gz PHQJIOQZCKEFHO-JLIMGVALSA-N 1 0 226.345 0.701 10 0 BCAERO CC[C@@H]1CN(C(C)=O)CC[C@@H]1[NH2+]C[C@@H](C)O ZINC000310036815 411195908 /nfs/dbraw/zinc/19/59/08/411195908.db2.gz UPGBEQMOJBNCKQ-JLLWLGSASA-N 1 0 228.336 0.604 10 0 BCAERO CC(C)[C@@H]([NH3+])CC(=O)NCCn1cccn1 ZINC000129002658 411196338 /nfs/dbraw/zinc/19/63/38/411196338.db2.gz ZFUIWOBKHJHHJC-JTQLQIEISA-N 1 0 224.308 0.373 10 0 BCAERO C[C@@H]1C[C@H](NC(=O)[C@H]2CC[C@@H]([NH3+])C2)CO1 ZINC000402092487 411196771 /nfs/dbraw/zinc/19/67/71/411196771.db2.gz JPJIZJCZYDDJDK-RGOKHQFPSA-N 1 0 212.293 0.407 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)N1CCCO[C@@H](C)C1 ZINC000129049892 411216610 /nfs/dbraw/zinc/21/66/10/411216610.db2.gz WWSGKLAJIQEAMX-WDEREUQCSA-N 1 0 228.336 0.997 10 0 BCAERO C[C@H](O)C[N@H+](C[C@@H]1CCCN1C)C1CC1 ZINC000653903336 411218857 /nfs/dbraw/zinc/21/88/57/411218857.db2.gz GUZRCHWOOOZGOZ-JQWIXIFHSA-N 1 0 212.337 0.926 10 0 BCAERO COCC[C@H](C)NC(=O)C[C@H]([NH3+])C(C)C ZINC000129096001 411223420 /nfs/dbraw/zinc/22/34/20/411223420.db2.gz ONSQHMJZJYXFBF-UWVGGRQHSA-N 1 0 216.325 0.901 10 0 BCAERO CC(C)C[C@H](CO)[NH2+]C[C@@H](O)CN(C)C1CC1 ZINC000310217769 411225398 /nfs/dbraw/zinc/22/53/98/411225398.db2.gz FKTUCLGDWAUPAH-DGCLKSJQSA-N 1 0 244.379 0.438 10 0 BCAERO CC[N@H+](C)C[C@H](O)CN[C@H](C)c1ncc(C)o1 ZINC000310335566 411233467 /nfs/dbraw/zinc/23/34/67/411233467.db2.gz CNYYBZJRMVWJKB-GHMZBOCLSA-N 1 0 241.335 0.946 10 0 BCAERO CC(C)[C@@H]([NH3+])CC(=O)Nc1ncnn1C ZINC000129152949 411233904 /nfs/dbraw/zinc/23/39/04/411233904.db2.gz RDSSSPZZONPKSW-ZETCQYMHSA-N 1 0 211.269 0.127 10 0 BCAERO C[C@H](NC(=O)CC[C@H]1CCC[NH2+]1)C(=O)N(C)C ZINC000310488385 411239720 /nfs/dbraw/zinc/23/97/20/411239720.db2.gz NPFIJBDUCFFGNQ-VHSXEESVSA-N 1 0 241.335 0.112 10 0 BCAERO CN1CCO[C@H](C[NH2+][C@H]2COC3(CCC3)C2)C1 ZINC000657912112 411165542 /nfs/dbraw/zinc/16/55/42/411165542.db2.gz WSOPWLNOFWPGMJ-VXGBXAGGSA-N 1 0 240.347 0.618 10 0 BCAERO CC[C@@H]1[NH2+]CC[C@H]1Nc1nccn2cnnc12 ZINC000630526528 411265355 /nfs/dbraw/zinc/26/53/55/411265355.db2.gz XPQQHLMODYWNEL-DTWKUNHWSA-N 1 0 232.291 0.677 10 0 BCAERO CCOCCCNC(=O)C[C@H]([NH3+])C(C)C ZINC000128872917 411268471 /nfs/dbraw/zinc/26/84/71/411268471.db2.gz QYKOJPMDUZVFOZ-JTQLQIEISA-N 1 0 216.325 0.903 10 0 BCAERO CCN1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2O)C1=O ZINC000656507912 411287330 /nfs/dbraw/zinc/28/73/30/411287330.db2.gz WGJQPYFRMOPRJH-GMTAPVOTSA-N 1 0 226.320 0.500 10 0 BCAERO Nc1cc([C@H]2CCCN(CC[NH3+])C2)ccn1 ZINC000616622025 411287434 /nfs/dbraw/zinc/28/74/34/411287434.db2.gz YJVZPUOZIGWUKO-NSHDSACASA-N 1 0 220.320 0.802 10 0 BCAERO Nc1ccc([C@H]2CCN(CC[NH3+])CCO2)cn1 ZINC000616594841 411287679 /nfs/dbraw/zinc/28/76/79/411287679.db2.gz IIGVSQXHFPYEKP-LLVKDONJSA-N 1 0 236.319 0.386 10 0 BCAERO Nc1ccc([C@H]2CCCN(CC[NH3+])C2)cn1 ZINC000616621481 411287855 /nfs/dbraw/zinc/28/78/55/411287855.db2.gz PNILNJLJLLRADO-NSHDSACASA-N 1 0 220.320 0.802 10 0 BCAERO Cn1nc(Br)cc1[C@@H]1C[C@@H]1[NH3+] ZINC000575500008 411296274 /nfs/dbraw/zinc/29/62/74/411296274.db2.gz PNOKEMBYTSRTAM-UHNVWZDZSA-N 1 0 216.082 0.997 10 0 BCAERO COc1cc(N(C)CC(C)(C)[NH3+])ncn1 ZINC000656609254 411307464 /nfs/dbraw/zinc/30/74/64/411307464.db2.gz VICVFEFSSPKTTH-UHFFFAOYSA-N 1 0 210.281 0.659 10 0 BCAERO CCN(C(=O)[C@@H]1C[NH2+]C[C@H]1C)[C@H]1CCCOC1 ZINC000402667416 411307780 /nfs/dbraw/zinc/30/77/80/411307780.db2.gz AQNKFNJAVAQSKY-GRYCIOLGSA-N 1 0 240.347 0.869 10 0 BCAERO CN(CC(C)(C)[NH3+])c1nccn2cnnc12 ZINC000656608513 411307970 /nfs/dbraw/zinc/30/79/70/411307970.db2.gz GUCXIPAIHGFFAV-UHFFFAOYSA-N 1 0 220.280 0.298 10 0 BCAERO Cc1nccnc1N1CC2CC1(C[NH3+])C2 ZINC000656610770 411308885 /nfs/dbraw/zinc/30/88/85/411308885.db2.gz IPJHBKHTYYCYKT-UHFFFAOYSA-N 1 0 204.277 0.713 10 0 BCAERO COC[C@@H]([NH2+]C[C@@H]1CC(=O)N(C)C1)C1CC1 ZINC000658242628 411309110 /nfs/dbraw/zinc/30/91/10/411309110.db2.gz JXXUYYLYVMYRGX-GXSJLCMTSA-N 1 0 226.320 0.479 10 0 BCAERO C[C@@H]1C[NH2+]C[C@@H](NC[C@@H](O)C(C)(C)C)C1 ZINC000401741758 411310716 /nfs/dbraw/zinc/31/07/16/411310716.db2.gz HIEIVJJGHRHCDO-GARJFASQSA-N 1 0 214.353 0.981 10 0 BCAERO CCc1cc(CC)nc(N[C@@H](C)C[NH3+])n1 ZINC000379806747 411312621 /nfs/dbraw/zinc/31/26/21/411312621.db2.gz MPLKENAFRUXLBO-QMMMGPOBSA-N 1 0 208.309 1.361 10 0 BCAERO COC[C@H](CC[NH2+]CC(C)(C)O)OC ZINC000656677072 411323260 /nfs/dbraw/zinc/32/32/60/411323260.db2.gz LKELNJDIDRMWBD-VIFPVBQESA-N 1 0 205.298 0.398 10 0 BCAERO CN1CCO[C@@H](C[N@H+](C)[C@@H]2CCCC[C@H]2O)C1 ZINC000656696665 411332812 /nfs/dbraw/zinc/33/28/12/411332812.db2.gz JCTJYGUVZRTXMR-JHJVBQTASA-N 1 0 242.363 0.552 10 0 BCAERO OC[C@@H]1C[NH+](C[C@@H]2CCC[C@H](O)C2)CCO1 ZINC000309810399 411252633 /nfs/dbraw/zinc/25/26/33/411252633.db2.gz YVBBXTCWJODTLM-WOPDTQHZSA-N 1 0 229.320 0.231 10 0 BCAERO CC(C)[C@@H]([NH3+])CC(=O)N1CCO[C@@H](C)C1 ZINC000128854178 411253320 /nfs/dbraw/zinc/25/33/20/411253320.db2.gz WTWQRWOLZIGXBU-UWVGGRQHSA-N 1 0 214.309 0.607 10 0 BCAERO CCC[C@H](C)NC(=O)[C@H](C)n1cc(C[NH3+])nn1 ZINC000050224683 411254473 /nfs/dbraw/zinc/25/44/73/411254473.db2.gz ZOOIYONNSGLTOX-IUCAKERBSA-N 1 0 239.323 0.603 10 0 BCAERO CCC[C@@H](C)NC(=O)[C@H](C)n1cc(C[NH3+])nn1 ZINC000050224682 411255088 /nfs/dbraw/zinc/25/50/88/411255088.db2.gz ZOOIYONNSGLTOX-BDAKNGLRSA-N 1 0 239.323 0.603 10 0 BCAERO Cc1ncsc1CCn1cc(C[NH3+])nn1 ZINC000050285578 411255642 /nfs/dbraw/zinc/25/56/42/411255642.db2.gz JIPXYQHLPZRHAL-UHFFFAOYSA-N 1 0 223.305 0.744 10 0 BCAERO CN(Cc1cn[nH]c1)C(=O)C1CCC([NH3+])CC1 ZINC000070230179 411257021 /nfs/dbraw/zinc/25/70/21/411257021.db2.gz AKLKRXCTUTZRJF-UHFFFAOYSA-N 1 0 236.319 0.886 10 0 BCAERO CN(Cc1cn[nH]c1)C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000070230206 411257199 /nfs/dbraw/zinc/25/71/99/411257199.db2.gz JCKJCKYKFNCZKV-JTQLQIEISA-N 1 0 236.319 0.758 10 0 BCAERO C[C@H]([NH2+]C1CC(CO)C1)c1cnn(C)c1 ZINC000658352511 411354536 /nfs/dbraw/zinc/35/45/36/411354536.db2.gz XYNYOMXFUDZORB-SILCLGDVSA-N 1 0 209.293 0.842 10 0 BCAERO C[NH2+][C@@H](C)CNC(=O)CCc1cccnc1 ZINC000304234159 411355452 /nfs/dbraw/zinc/35/54/52/411355452.db2.gz BNPNOZJZKIMNMG-JTQLQIEISA-N 1 0 221.304 0.738 10 0 BCAERO C[C@@H]1C[C@H]([NH2+]C2CC(CO)C2)CCN1C ZINC000658352912 411356045 /nfs/dbraw/zinc/35/60/45/411356045.db2.gz BYFRNULKXVIDHN-QTAHKJALSA-N 1 0 212.337 0.830 10 0 BCAERO CC(C)(C)[C@@H](O)C[NH2+]CCCn1ccnn1 ZINC000304258306 411356182 /nfs/dbraw/zinc/35/61/82/411356182.db2.gz SOABPHMSTXSHBM-JTQLQIEISA-N 1 0 226.324 0.665 10 0 BCAERO CC1(C)COCCN1C(=O)C[NH2+]CC1CC1 ZINC000042463021 167969833 /nfs/dbraw/zinc/96/98/33/167969833.db2.gz UQGBRHWJPIZZCZ-UHFFFAOYSA-N 1 0 226.320 0.623 10 0 BCAERO COCC1(N(C)C(=O)[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000659336214 411364365 /nfs/dbraw/zinc/36/43/65/411364365.db2.gz GNNCQBCIZNQYOY-NXEZZACHSA-N 1 0 226.320 0.479 10 0 BCAERO C[C@H]1C[N@@H+]([C@@H]2CCC[C@H]2O)C[C@]1(C)CO ZINC000662141970 411366267 /nfs/dbraw/zinc/36/62/67/411366267.db2.gz IRPLOEOCWYBFGA-IRCOFANPSA-N 1 0 213.321 0.850 10 0 BCAERO C[C@H]1C[N@@H+]([C@@H]2CCC[C@H]2O)C[C@@]1(C)CO ZINC000662141976 411366794 /nfs/dbraw/zinc/36/67/94/411366794.db2.gz IRPLOEOCWYBFGA-QCNOEVLYSA-N 1 0 213.321 0.850 10 0 BCAERO [NH3+]Cc1cn(CCOCC(F)F)nn1 ZINC000130932579 411370136 /nfs/dbraw/zinc/37/01/36/411370136.db2.gz MQGUOPINTDRYRC-UHFFFAOYSA-N 1 0 206.196 0.019 10 0 BCAERO C[C@H](O)CCC[N@@H+]1CC[C@H](N(C)C)C1 ZINC000062968085 411334175 /nfs/dbraw/zinc/33/41/75/411334175.db2.gz FWCJPQGOUSKYHG-QWRGUYRKSA-N 1 0 200.326 0.783 10 0 BCAERO CC1(CNC(=O)C2([NH3+])CCOCC2)CC1 ZINC000229217200 168027774 /nfs/dbraw/zinc/02/77/74/168027774.db2.gz PCYGSPIHYBYJIC-UHFFFAOYSA-N 1 0 212.293 0.411 10 0 BCAERO Cc1ccc(CNC(=O)[C@H]2CC[NH2+]C2)o1 ZINC000062116869 411348798 /nfs/dbraw/zinc/34/87/98/411348798.db2.gz OFACMJFYJSQVKK-VIFPVBQESA-N 1 0 208.261 0.814 10 0 BCAERO O=C1NCCC[C@H]1[NH2+]Cc1cncs1 ZINC000054788436 411380639 /nfs/dbraw/zinc/38/06/39/411380639.db2.gz MAGBYVMWLVIYDR-MRVPVSSYSA-N 1 0 211.290 0.511 10 0 BCAERO Cc1cc(Cn2cc(C(C)(C)[NH3+])nn2)on1 ZINC000069680467 411380749 /nfs/dbraw/zinc/38/07/49/411380749.db2.gz UBKLMEMAVSVVDE-UHFFFAOYSA-N 1 0 221.264 0.817 10 0 BCAERO CC(C)[NH2+]CCN1C(=O)CC(C)CC1=O ZINC000061829094 168138506 /nfs/dbraw/zinc/13/85/06/168138506.db2.gz NZRIUANACSPFRD-UHFFFAOYSA-N 1 0 212.293 0.770 10 0 BCAERO CC1CC(=O)N(CC2CC[NH2+]CC2)C(=O)C1 ZINC000061828859 168139504 /nfs/dbraw/zinc/13/95/04/168139504.db2.gz GNCOTEJAECFXAP-UHFFFAOYSA-N 1 0 224.304 0.771 10 0 BCAERO CCCC(=O)N1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC000404073362 411374669 /nfs/dbraw/zinc/37/46/69/411374669.db2.gz PTOYQCQTRAVNEC-UWVGGRQHSA-N 1 0 212.293 0.376 10 0 BCAERO C[C@@H](C[NH3+])N(C)C(=O)[C@@H]1CC[C@H](C)O1 ZINC000125456425 411374693 /nfs/dbraw/zinc/37/46/93/411374693.db2.gz HLTBXJFEJINJFE-CIUDSAMLSA-N 1 0 200.282 0.360 10 0 BCAERO C[C@H](O)C[NH2+]C1(CO)CCC(C)CC1 ZINC000053118114 168156336 /nfs/dbraw/zinc/15/63/36/168156336.db2.gz XFIZSAZSERPUSB-YVNMAJEFSA-N 1 0 201.310 0.898 10 0 BCAERO C[C@@H](C[NH3+])C(=O)NC1(CO)CCC(C)CC1 ZINC000054345674 168156723 /nfs/dbraw/zinc/15/67/23/168156723.db2.gz BWBNEFLLZPASDI-YZRBJQDESA-N 1 0 228.336 0.639 10 0 BCAERO CC1CCC(CO)(NC(=O)CC[NH3+])CC1 ZINC000053127364 168156902 /nfs/dbraw/zinc/15/69/02/168156902.db2.gz MNFZZVJPEWXSOW-UHFFFAOYSA-N 1 0 214.309 0.393 10 0 BCAERO CC1CCC([NH2+][C@@H]2CS(=O)(=O)C[C@H]2O)CC1 ZINC000037487536 168163685 /nfs/dbraw/zinc/16/36/85/168163685.db2.gz UYQBPLFXJIFTCX-JPPWEJMLSA-N 1 0 247.360 0.313 10 0 BCAERO CC1CCC([NH2+][C@@H]2CC(=O)NC2=O)CC1 ZINC000036853468 168164040 /nfs/dbraw/zinc/16/40/40/168164040.db2.gz SPSGVTVGBYALSA-AMDVSUOASA-N 1 0 210.277 0.570 10 0 BCAERO CC1CCC([NH2+][C@H]2CS(=O)(=O)C[C@H]2O)CC1 ZINC000037487537 168165374 /nfs/dbraw/zinc/16/53/74/168165374.db2.gz UYQBPLFXJIFTCX-WFBLGPOFSA-N 1 0 247.360 0.313 10 0 BCAERO CC1CCC([NH2+][C@H]2CS(=O)(=O)C[C@@H]2O)CC1 ZINC000037487535 168165414 /nfs/dbraw/zinc/16/54/14/168165414.db2.gz UYQBPLFXJIFTCX-TVUZUIDESA-N 1 0 247.360 0.313 10 0 BCAERO C[C@]1(CNC(=O)[C@@H]2CC[NH2+]C2)CC1(F)F ZINC000659360223 411376180 /nfs/dbraw/zinc/37/61/80/411376180.db2.gz BGJSAKXMIKYBHZ-VXNVDRBHSA-N 1 0 218.247 0.757 10 0 BCAERO CC1CCN(CC[NH2+]CCN(C)C)CC1 ZINC000041227186 168181291 /nfs/dbraw/zinc/18/12/91/168181291.db2.gz BGDBEPMNPQRAPB-UHFFFAOYSA-N 1 0 213.369 0.870 10 0 BCAERO C[C@@H]1[C@@H]([NH3+])CCN1Cc1ccc(N)nc1 ZINC000309444116 411397107 /nfs/dbraw/zinc/39/71/07/411397107.db2.gz KXIBWAHXYKJKQP-SCZZXKLOSA-N 1 0 206.293 0.585 10 0 BCAERO C[NH2+][C@H](C)C(=O)NCCO[C@@H]1CC1(F)F ZINC000659344663 411400785 /nfs/dbraw/zinc/40/07/85/411400785.db2.gz BTHPLDXJLILLCW-RNFRBKRXSA-N 1 0 222.235 0.135 10 0 BCAERO [NH3+][C@@H]1CC[C@H](C(=O)NCCO[C@H]2CC2(F)F)C1 ZINC000659345401 411401155 /nfs/dbraw/zinc/40/11/55/411401155.db2.gz KLFAREPWASEUBK-YIZRAAEISA-N 1 0 248.273 0.654 10 0 BCAERO CC(C)(F)CCNC(=O)[C@@H]1CC[NH2+]C1 ZINC000659359947 411401739 /nfs/dbraw/zinc/40/17/39/411401739.db2.gz XQWVGTUAJDMJLL-MRVPVSSYSA-N 1 0 202.273 0.850 10 0 BCAERO O=C(NCCc1ccoc1)[C@@H]1CC[NH2+]C1 ZINC000659361216 411402884 /nfs/dbraw/zinc/40/28/84/411402884.db2.gz NCZNWERPBUQJLY-SNVBAGLBSA-N 1 0 208.261 0.548 10 0 BCAERO CO[C@H]1C[NH2+][C@@H](C(=O)NCCC(C)(C)F)C1 ZINC000659361953 411403099 /nfs/dbraw/zinc/40/30/99/411403099.db2.gz UCMXTZDAIAFSNO-RKDXNWHRSA-N 1 0 232.299 0.618 10 0 BCAERO CO[C@@H](CNC(=O)[C@H]1CC[NH2+]C1)C1CCCC1 ZINC000659384856 411408509 /nfs/dbraw/zinc/40/85/09/411408509.db2.gz ZNWOSMYXSKNENK-RYUDHWBXSA-N 1 0 240.347 0.917 10 0 BCAERO O=C(Nc1cn[nH]c1)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653072541 411412308 /nfs/dbraw/zinc/41/23/08/411412308.db2.gz VLCQOXDVMCFRDY-RNFRBKRXSA-N 1 0 248.208 0.746 10 0 BCAERO NC(=O)c1ccccc1[C@H]1CCOCC[NH2+]1 ZINC000616658584 411412647 /nfs/dbraw/zinc/41/26/47/411412647.db2.gz JAAOPSFCAGBDID-LLVKDONJSA-N 1 0 220.272 0.837 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)NCCN1CCCC1=O ZINC000405374679 411427157 /nfs/dbraw/zinc/42/71/57/411427157.db2.gz BYMGCHPQZUIDOS-SNVBAGLBSA-N 1 0 241.335 0.098 10 0 BCAERO CC(C)[C@@H]([NH3+])CC(=O)NCCN1CCCC1=O ZINC000405374676 411427542 /nfs/dbraw/zinc/42/75/42/411427542.db2.gz BYMGCHPQZUIDOS-JTQLQIEISA-N 1 0 241.335 0.098 10 0 BCAERO [NH3+]CC1(C(=O)N[C@H]2CCC[C@@H](O)C2)CCCC1 ZINC000122996328 411437509 /nfs/dbraw/zinc/43/75/09/411437509.db2.gz DXAJGFIOIONUQY-WDEREUQCSA-N 1 0 240.347 0.925 10 0 BCAERO C[C@@H](NC(=O)CCC1C[NH2+]C1)[C@H]1CCCO1 ZINC000637930091 411447418 /nfs/dbraw/zinc/44/74/18/411447418.db2.gz SQHBUSDJTQNLFW-MWLCHTKSSA-N 1 0 226.320 0.670 10 0 BCAERO O=C(C[C@@H]1CCC[NH2+]C1)N[C@@H]1CCCOC1 ZINC000071023748 411449124 /nfs/dbraw/zinc/44/91/24/411449124.db2.gz PEHLETKILSBKLV-WDEREUQCSA-N 1 0 226.320 0.671 10 0 BCAERO CO[C@H]1C[NH2+][C@@H](C(=O)NCc2ccc(C)o2)C1 ZINC000053038745 411475122 /nfs/dbraw/zinc/47/51/22/411475122.db2.gz XDTNTQFLWACBCX-GHMZBOCLSA-N 1 0 238.287 0.581 10 0 BCAERO C[C@@H]1OCC[C@@H]1NC(=O)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000407319197 411479085 /nfs/dbraw/zinc/47/90/85/411479085.db2.gz ITOYRWUSAJFMPN-PDEGPIFNSA-N 1 0 238.331 0.811 10 0 BCAERO COC[C@H](C)NC(=O)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000407355221 411481263 /nfs/dbraw/zinc/48/12/63/411481263.db2.gz NYFXKFGKDSECGC-INTQDDNPSA-N 1 0 226.320 0.668 10 0 BCAERO C[C@@H](O)CC[NH2+]C[C@@H](O)CC(F)(F)F ZINC000307949848 411489787 /nfs/dbraw/zinc/48/97/87/411489787.db2.gz QYSUGGIJJOIOFU-RQJHMYQMSA-N 1 0 215.215 0.660 10 0 BCAERO C[C@@H]1CN(C(=O)C[C@@H]2CCOC2)C[C@H]1C[NH3+] ZINC000638892286 411512996 /nfs/dbraw/zinc/51/29/96/411512996.db2.gz WETDHOUDOYCWAD-OUAUKWLOSA-N 1 0 226.320 0.466 10 0 BCAERO CO[C@@](C)(CO)C[NH2+]Cc1cnn(C)c1C ZINC000655807818 411521438 /nfs/dbraw/zinc/52/14/38/411521438.db2.gz NRAFGYKVZZVFMD-LLVKDONJSA-N 1 0 227.308 0.216 10 0 BCAERO CO[C@](C)(CO)C[NH2+]Cc1cnn(C)c1C ZINC000655807819 411521823 /nfs/dbraw/zinc/52/18/23/411521823.db2.gz NRAFGYKVZZVFMD-NSHDSACASA-N 1 0 227.308 0.216 10 0 BCAERO OC[C@H]1C[N@H+](C[C@@H]2C[C@H]3C[C@H]3C2)CCO1 ZINC000659998975 411525183 /nfs/dbraw/zinc/52/51/83/411525183.db2.gz KYUMNQUKHBVRMF-WRWGMCAJSA-N 1 0 211.305 0.726 10 0 BCAERO CN(C)C(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000307139281 411466552 /nfs/dbraw/zinc/46/65/52/411466552.db2.gz BJWMRYKFVVNNFC-PHDIDXHHSA-N 1 0 210.199 0.473 10 0 BCAERO CC[N@@H+]1CC[C@H](NS(=O)(=O)CC)C1 ZINC000334738160 170020406 /nfs/dbraw/zinc/02/04/06/170020406.db2.gz QIVSCPVSSNVFKO-QMMMGPOBSA-N 1 0 206.311 0.020 10 0 BCAERO CC[N@@H+]1CCc2c(ccc3[nH]c(=O)c(=O)[nH]c32)C1 ZINC000013743333 170023611 /nfs/dbraw/zinc/02/36/11/170023611.db2.gz AEAOMQRQLWLDLF-UHFFFAOYSA-N 1 0 245.282 0.594 10 0 BCAERO CC[N@@H+]1C[C@@H](C)[C@@H](NCc2cnnn2C)C1 ZINC000336780096 170029668 /nfs/dbraw/zinc/02/96/68/170029668.db2.gz QJVFSRXQURATAT-KOLCDFICSA-N 1 0 223.324 0.245 10 0 BCAERO CC[N@@H+]1C[C@H]2C[C@H](C(=O)NC(C)C)[C@@H](C1)O2 ZINC000096252904 170040838 /nfs/dbraw/zinc/04/08/38/170040838.db2.gz WOAAYJROUTYMHC-OUAUKWLOSA-N 1 0 226.320 0.620 10 0 BCAERO CCNC(=[NH2+])N(C(=N)N)c1cc(C)on1 ZINC000033828137 170041849 /nfs/dbraw/zinc/04/18/49/170041849.db2.gz FLUJMHPHOKKKCD-UHFFFAOYSA-N 1 0 210.241 0.227 10 0 BCAERO CCNC(=O)CCCC(=O)N1CCC[C@@H]1C[NH3+] ZINC000236875192 170048322 /nfs/dbraw/zinc/04/83/22/170048322.db2.gz ODNDWZZEBHWSOF-SNVBAGLBSA-N 1 0 241.335 0.243 10 0 BCAERO CC(C)[C@@H]1C[C@@H]([NH2+][C@@H]2CCNC2=O)CCO1 ZINC000657524653 411542350 /nfs/dbraw/zinc/54/23/50/411542350.db2.gz MNEURKAYIXNYIC-AXFHLTTASA-N 1 0 226.320 0.668 10 0 BCAERO CCNC(=O)CN(C)C[C@@H](C[NH3+])c1ccccc1 ZINC000049726179 170054292 /nfs/dbraw/zinc/05/42/92/170054292.db2.gz CKVWPYGGQHOSLC-CYBMUJFWSA-N 1 0 249.358 0.797 10 0 BCAERO CCNC(=O)CN(C)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000049728218 170054905 /nfs/dbraw/zinc/05/49/05/170054905.db2.gz LEPRJMNYNDMTRJ-WDEREUQCSA-N 1 0 227.352 0.714 10 0 BCAERO CCNC(=O)CN(C)Cc1cccnc1C[NH3+] ZINC000061656737 170055282 /nfs/dbraw/zinc/05/52/82/170055282.db2.gz WKJPMJUVZZOXQQ-UHFFFAOYSA-N 1 0 236.319 0.108 10 0 BCAERO CCNC(=O)CN(C)Cc1ccccc1C[NH3+] ZINC000037757762 170055463 /nfs/dbraw/zinc/05/54/63/170055463.db2.gz PZLLPIRPALZZIR-UHFFFAOYSA-N 1 0 235.331 0.713 10 0 BCAERO CCNC(=O)CN(C)[C@H]1CCCC[C@@H]1[NH3+] ZINC000049728223 170055477 /nfs/dbraw/zinc/05/54/77/170055477.db2.gz FFPFSWXNCDBANM-UWVGGRQHSA-N 1 0 213.325 0.324 10 0 BCAERO CCNC(=O)CN1[C@@H]2CCC[C@H]1CC([NH2+]C)C2 ZINC000054602088 170061338 /nfs/dbraw/zinc/06/13/38/170061338.db2.gz AOUXDGIXBIFCNU-YOGCLGLASA-N 1 0 239.363 0.727 10 0 BCAERO CCNC(=O)CNC(=O)C[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000055125783 170062396 /nfs/dbraw/zinc/06/23/96/170062396.db2.gz BETGBBNBIRVPQC-NXEZZACHSA-N 1 0 241.335 0.146 10 0 BCAERO CCNC(=O)CNC(=O)[C@]1(CC)CCC[NH2+]C1 ZINC000062853995 170063631 /nfs/dbraw/zinc/06/36/31/170063631.db2.gz YUUGFBLXUHKTMH-GFCCVEGCSA-N 1 0 241.335 0.019 10 0 BCAERO CCNC(=O)C[NH2+]CCc1ccccn1 ZINC000020049588 170064376 /nfs/dbraw/zinc/06/43/76/170064376.db2.gz FIOKRYUYWPYEAP-UHFFFAOYSA-N 1 0 207.277 0.350 10 0 BCAERO CCNC(=O)C[NH2+]Cc1ccc2c(c1)OCO2 ZINC000035138136 170064648 /nfs/dbraw/zinc/06/46/48/170064648.db2.gz HRQKJCXBUZHXLJ-UHFFFAOYSA-N 1 0 236.271 0.641 10 0 BCAERO CCNC(=O)C[NH2+]CCC(=O)N[C@H](C)CC ZINC000038014789 170064752 /nfs/dbraw/zinc/06/47/52/170064752.db2.gz YYBAIGQDCSXSEB-SECBINFHSA-N 1 0 229.324 0.017 10 0 BCAERO CCNC(=O)C[NH2+]CC(=O)N1CCCCCC1 ZINC000035141939 170064905 /nfs/dbraw/zinc/06/49/05/170064905.db2.gz FEYOWAHYSYDMAA-UHFFFAOYSA-N 1 0 241.335 0.115 10 0 BCAERO CCNC(=O)CN[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000049565406 170065591 /nfs/dbraw/zinc/06/55/91/170065591.db2.gz NSBABKQXTWXDOP-WDEREUQCSA-N 1 0 225.336 0.339 10 0 BCAERO CCc1ncc(C[NH2+][C@@H]2CCNC2=O)s1 ZINC000657525719 411543156 /nfs/dbraw/zinc/54/31/56/411543156.db2.gz UANNLBXSYZZZIF-MRVPVSSYSA-N 1 0 225.317 0.684 10 0 BCAERO CCCn1cc(C[NH2+][C@@H]2CCNC2=O)cn1 ZINC000657525429 411543300 /nfs/dbraw/zinc/54/33/00/411543300.db2.gz RHDSGTNYPBZQMZ-SNVBAGLBSA-N 1 0 222.292 0.271 10 0 BCAERO CCNC(=O)C[C@H]([NH3+])c1ccc2c(c1)OCO2 ZINC000041269415 170070273 /nfs/dbraw/zinc/07/02/73/170070273.db2.gz YISMKFQGFJNPIS-VIFPVBQESA-N 1 0 236.271 0.941 10 0 BCAERO CCNC(=O)N1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000051359137 170073173 /nfs/dbraw/zinc/07/31/73/170073173.db2.gz VXIZTXTWEOANFE-UWVGGRQHSA-N 1 0 211.309 0.932 10 0 BCAERO CCNC(=O)N1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000051359139 170073495 /nfs/dbraw/zinc/07/34/95/170073495.db2.gz VXIZTXTWEOANFE-ZJUUUORDSA-N 1 0 211.309 0.932 10 0 BCAERO CCNC(=O)[C@@H](C)N1CCC([NH2+]C)CC1 ZINC000037469317 170086084 /nfs/dbraw/zinc/08/60/84/170086084.db2.gz VTLIQEKKIXXBAD-SECBINFHSA-N 1 0 213.325 0.195 10 0 BCAERO CCNC(=O)[C@@H](C)NC(=O)[C@]1(C)CCCC[NH2+]1 ZINC000136146015 170087197 /nfs/dbraw/zinc/08/71/97/170087197.db2.gz LWBMPJRESMSQMN-SKDRFNHKSA-N 1 0 241.335 0.159 10 0 BCAERO CCNC(=O)[C@@H](C)[NH2+]C[C@@H](O)COCC(C)C ZINC000049200888 170087992 /nfs/dbraw/zinc/08/79/92/170087992.db2.gz KMTIQNMNPOBHEM-GHMZBOCLSA-N 1 0 246.351 0.134 10 0 BCAERO CCNC(=O)[C@@H](C)[NH2+]C[C@H](O)COC(C)(C)C ZINC000049202038 170088135 /nfs/dbraw/zinc/08/81/35/170088135.db2.gz AFGXEPWZLSHZJN-ZJUUUORDSA-N 1 0 246.351 0.277 10 0 BCAERO CCNC(=O)[C@@H](C)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000037904904 170088551 /nfs/dbraw/zinc/08/85/51/170088551.db2.gz AOKWZMJKEHFTRH-MNOVXSKESA-N 1 0 239.363 0.585 10 0 BCAERO CCNC(=O)[C@@H](C)[NH2+]Cc1ccc(C(N)=O)cc1 ZINC000035018228 170088563 /nfs/dbraw/zinc/08/85/63/170088563.db2.gz KOGOUQGLHSLSAZ-SECBINFHSA-N 1 0 249.314 0.400 10 0 BCAERO CCNC(=O)[C@H](C)NC(=O)C[C@@H]1CCCC[NH2+]1 ZINC000049225275 170093389 /nfs/dbraw/zinc/09/33/89/170093389.db2.gz RCBUPIWZXFCDKX-UWVGGRQHSA-N 1 0 241.335 0.159 10 0 BCAERO CCNC(=O)[C@H](C)[NH2+]C[C@@H](O)c1ccco1 ZINC000088424420 170094817 /nfs/dbraw/zinc/09/48/17/170094817.db2.gz YBOXIGBHSLEAJW-DTWKUNHWSA-N 1 0 226.276 0.427 10 0 BCAERO CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CCCOC1 ZINC000038045805 170095083 /nfs/dbraw/zinc/09/50/83/170095083.db2.gz BPYRIRBQNUEHCP-UWVGGRQHSA-N 1 0 214.309 0.527 10 0 BCAERO CCNC(=O)[C@H](C)[NH2+]Cc1cnn(C)c1C ZINC000086551949 170095190 /nfs/dbraw/zinc/09/51/90/170095190.db2.gz XWBOMMCYTXKCOX-QMMMGPOBSA-N 1 0 224.308 0.343 10 0 BCAERO CCNC(=O)[C@H](C)OC1CCC([NH3+])CC1 ZINC000055142891 170097064 /nfs/dbraw/zinc/09/70/64/170097064.db2.gz AVJNAXLNDXLFKS-IDKOKCKLSA-N 1 0 214.309 0.798 10 0 BCAERO CCNC(=O)c1cc(N[C@@H]2C[C@@H]2[NH3+])ccn1 ZINC000036267866 170100803 /nfs/dbraw/zinc/10/08/03/170100803.db2.gz OWLCUQMGCYEZIQ-DTWKUNHWSA-N 1 0 220.276 0.343 10 0 BCAERO CCNC(=O)c1cc(N[C@H]2CC[N@H+](C)C2)ccn1 ZINC000042548103 170101489 /nfs/dbraw/zinc/10/14/89/170101489.db2.gz RIXGDRSMRMAWHR-NSHDSACASA-N 1 0 248.330 0.947 10 0 BCAERO CC[NH2+]C(C)(C)C(=O)N1CCCC[C@@H]1C(N)=O ZINC000061294045 170106100 /nfs/dbraw/zinc/10/61/00/170106100.db2.gz SVGOQIAWEXTFQK-SECBINFHSA-N 1 0 241.335 0.241 10 0 BCAERO CC[NH2+]C(C)(C)C(=O)N1CCNC(=O)[C@@H]1CC ZINC000104142631 170106574 /nfs/dbraw/zinc/10/65/74/170106574.db2.gz YEPKQCFFSVLUDV-VIFPVBQESA-N 1 0 241.335 0.112 10 0 BCAERO CC[NH2+]C(C)(C)C(=O)N[C@H]1CCCC[C@H]1O ZINC000061299450 170107352 /nfs/dbraw/zinc/10/73/52/170107352.db2.gz JKLLSKOWVYAYRU-VHSXEESVSA-N 1 0 228.336 0.794 10 0 BCAERO CC[NH2+]CC(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000044650355 170109566 /nfs/dbraw/zinc/10/95/66/170109566.db2.gz MIALZSYGXKFITM-WDEREUQCSA-N 1 0 226.320 0.766 10 0 BCAERO CC[NH2+]C1CCN([C@@H](C)C(=O)NC2CC2)CC1 ZINC000037536998 170109849 /nfs/dbraw/zinc/10/98/49/170109849.db2.gz JRFHGLZTFHDKPF-JTQLQIEISA-N 1 0 239.363 0.727 10 0 BCAERO CC[NH2+]CCC(=O)Nc1ccccc1CC(N)=O ZINC000061290128 170111624 /nfs/dbraw/zinc/11/16/24/170111624.db2.gz CYEWRIFGXQMPLP-UHFFFAOYSA-N 1 0 249.314 0.653 10 0 BCAERO CC[NH2+]CCC(=O)N1CCCO[C@H](C)C1 ZINC000061920145 170111830 /nfs/dbraw/zinc/11/18/30/170111830.db2.gz ZVRUPHOQUFRZQU-SNVBAGLBSA-N 1 0 214.309 0.623 10 0 BCAERO CC[NH2+]CCC(=O)Nc1cnn(CCOC)c1 ZINC000061292837 170111867 /nfs/dbraw/zinc/11/18/67/170111867.db2.gz LSEYUCJIGSFHGB-UHFFFAOYSA-N 1 0 240.307 0.468 10 0 BCAERO CC[NH2+]CCC(=O)N1C[C@H](C(N)=O)CC[C@H]1C ZINC000061296258 170111873 /nfs/dbraw/zinc/11/18/73/170111873.db2.gz ZJSRVCRXOOSTFJ-NXEZZACHSA-N 1 0 241.335 0.098 10 0 BCAERO CC[NH2+]CCCCn1cnc2c(cnn2C)c1=O ZINC000053533534 170112433 /nfs/dbraw/zinc/11/24/33/170112433.db2.gz CDONACNWLRLNFF-UHFFFAOYSA-N 1 0 249.318 0.520 10 0 BCAERO CC[NH2+]CCNC(=O)c1ccc2c[nH]nc2c1 ZINC000061670095 170115726 /nfs/dbraw/zinc/11/57/26/170115726.db2.gz FCQRCSNZMRMUCV-UHFFFAOYSA-N 1 0 232.287 0.902 10 0 BCAERO CC[NH2+]C[C@@H](C)C(=O)N1CCC[C@@H](O)C1 ZINC000061229421 170118048 /nfs/dbraw/zinc/11/80/48/170118048.db2.gz KFXYOWSUJKEVQH-NXEZZACHSA-N 1 0 214.309 0.215 10 0 BCAERO CC[NH2+]C[C@@H](C)C(=O)Nc1ccc(=O)n(C)c1 ZINC000061234992 170119061 /nfs/dbraw/zinc/11/90/61/170119061.db2.gz NBCJAWIQBAGDIK-SECBINFHSA-N 1 0 237.303 0.569 10 0 BCAERO CC[NH2+]C[C@@H](C)[C@@H]1CCS(=O)(=O)C1 ZINC000052950490 170119112 /nfs/dbraw/zinc/11/91/12/170119112.db2.gz VOYJCKCCDNBORN-RKDXNWHRSA-N 1 0 205.323 0.667 10 0 BCAERO CC[NH2+]C[C@@H](O)COc1ccc2c(c1)OCO2 ZINC000033466587 170119259 /nfs/dbraw/zinc/11/92/59/170119259.db2.gz VDJPJCHKEICNKJ-SECBINFHSA-N 1 0 239.271 0.765 10 0 BCAERO CC[NH2+]C[C@H](C)C(=O)N1CCOC[C@H]1C ZINC000061229677 170122304 /nfs/dbraw/zinc/12/23/04/170122304.db2.gz UNRNMGGDPVQVBD-VHSXEESVSA-N 1 0 214.309 0.479 10 0 BCAERO CC[NH2+]C[C@]1([C@@H]2CCS(=O)(=O)C2)CCOC1 ZINC000054664217 170123549 /nfs/dbraw/zinc/12/35/49/170123549.db2.gz OYRILTORYKSIFQ-GHMZBOCLSA-N 1 0 247.360 0.437 10 0 BCAERO CC[NH2+]Cc1c(C)nn(C)c1-n1cncn1 ZINC000034825209 170124277 /nfs/dbraw/zinc/12/42/77/170124277.db2.gz IWCHQBNHCGIRNM-UHFFFAOYSA-N 1 0 220.280 0.419 10 0 BCAERO CC[NH2+]Cc1nnnn1-c1ccccc1OC ZINC000054744252 170131478 /nfs/dbraw/zinc/13/14/78/170131478.db2.gz JGGBHMHWYAEFFW-UHFFFAOYSA-N 1 0 233.275 0.780 10 0 BCAERO CC[NH2+]Cc1nnnn1C1CCOCC1 ZINC000054746235 170131898 /nfs/dbraw/zinc/13/18/98/170131898.db2.gz LZZFQTLPVOHPNI-UHFFFAOYSA-N 1 0 211.269 0.134 10 0 BCAERO CC[NH2+]Cc1nnc2nc(C)cc(C)n12 ZINC000044625637 170132181 /nfs/dbraw/zinc/13/21/81/170132181.db2.gz GMQSOZYKVCUEDF-UHFFFAOYSA-N 1 0 205.265 0.851 10 0 BCAERO CC[NH2+][C@@H](C(N)=O)c1ccc2c(c1)OCCO2 ZINC000037869570 170137929 /nfs/dbraw/zinc/13/79/29/170137929.db2.gz URYCPPRGLFTXLE-LLVKDONJSA-N 1 0 236.271 0.594 10 0 BCAERO CC[NH2+][C@@H](C(N)=O)c1ccc2c(c1)CCO2 ZINC000037869551 170138025 /nfs/dbraw/zinc/13/80/25/170138025.db2.gz DQOUDVFLBBCZRM-LLVKDONJSA-N 1 0 220.272 0.757 10 0 BCAERO CC[NH2+][C@@H](C)CC(=O)N1CCOCC1 ZINC000058100121 170139246 /nfs/dbraw/zinc/13/92/46/170139246.db2.gz RNIVNMJKQAVYEK-VIFPVBQESA-N 1 0 200.282 0.233 10 0 BCAERO CC[NH2+][C@@H](C)CC(=O)N1CCNC(=O)[C@H]1CC ZINC000104142642 170139536 /nfs/dbraw/zinc/13/95/36/170139536.db2.gz GSOSVCDGAOLVTR-VHSXEESVSA-N 1 0 241.335 0.112 10 0 BCAERO CC[NH2+][C@@H]1CCN(C[C@@H]2CCCO2)C1=O ZINC000049647099 170151645 /nfs/dbraw/zinc/15/16/45/170151645.db2.gz ITDOTZSEVNGPIA-VHSXEESVSA-N 1 0 212.293 0.376 10 0 BCAERO CC[NH2+][C@@H]1CCOC[C@@H]1N1CCCOCC1 ZINC000061917890 170153220 /nfs/dbraw/zinc/15/32/20/170153220.db2.gz MQLIVUVPSGKWBU-NEPJUHHUSA-N 1 0 228.336 0.476 10 0 BCAERO CC[NH2+][C@H](C)CC(=O)N1CCO[C@H](C)C1 ZINC000061268735 170156776 /nfs/dbraw/zinc/15/67/76/170156776.db2.gz UTRJIWZIPVKTDR-NXEZZACHSA-N 1 0 214.309 0.622 10 0 BCAERO CC[NH2+][C@H](C)Cc1nnc2cnccn21 ZINC000061212779 170158713 /nfs/dbraw/zinc/15/87/13/170158713.db2.gz FOAAICDFJWSMCC-MRVPVSSYSA-N 1 0 205.265 0.665 10 0 BCAERO CCN[C@H](CC[N@H+]1C[C@H](C)C[C@H](C)C1)C(N)=O ZINC000062439398 170161263 /nfs/dbraw/zinc/16/12/63/170161263.db2.gz JTUXEBBWONDJIG-GRYCIOLGSA-N 1 0 241.379 0.818 10 0 BCAERO CCN[C@](C)(CC[N@H+](C)C[C@@H]1C[C@@H]1C)C(N)=O ZINC000104428655 170170611 /nfs/dbraw/zinc/17/06/11/170170611.db2.gz QUAOIRMUKQEBTQ-GMXVVIOVSA-N 1 0 241.379 0.818 10 0 BCAERO CCNc1ncccc1C(=O)N[C@@H]1CC[N@H+](C)C1 ZINC000050786346 170178093 /nfs/dbraw/zinc/17/80/93/170178093.db2.gz QUAIVGPSDNCJOD-SNVBAGLBSA-N 1 0 248.330 0.947 10 0 BCAERO CCOC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000049571959 170184110 /nfs/dbraw/zinc/18/41/10/170184110.db2.gz YDYOKIKNZYKKRC-NXEZZACHSA-N 1 0 240.303 0.293 10 0 BCAERO CCOC(=O)CCNC(=O)[C@H]1CCC[NH2+]C1 ZINC000041679936 170208021 /nfs/dbraw/zinc/20/80/21/170208021.db2.gz QMRQXAOYURZGGT-VIFPVBQESA-N 1 0 228.292 0.055 10 0 BCAERO CCOC(=O)CCNC(=O)C[C@H]1CCC[NH2+]C1 ZINC000054309041 170208559 /nfs/dbraw/zinc/20/85/59/170208559.db2.gz CFJMFSPWHMFZHO-SNVBAGLBSA-N 1 0 242.319 0.446 10 0 BCAERO CCOC(=O)CN(C(=O)[C@H]1CC[NH2+]C1)C(C)C ZINC000062115512 170212897 /nfs/dbraw/zinc/21/28/97/170212897.db2.gz UWWUMILRFHXESH-JTQLQIEISA-N 1 0 242.319 0.396 10 0 BCAERO CCOC(=O)CNC(=O)[C@]1(CC)CCC[NH2+]C1 ZINC000062856007 170224618 /nfs/dbraw/zinc/22/46/18/170224618.db2.gz QYNGCSXQHWWQSU-GFCCVEGCSA-N 1 0 242.319 0.446 10 0 BCAERO CCOC(=O)CO[C@H]1CCC[NH+]=C1N ZINC000095924164 170228901 /nfs/dbraw/zinc/22/89/01/170228901.db2.gz PKNMEVWUZDHHLO-ZETCQYMHSA-N 1 0 200.238 0.086 10 0 BCAERO CCOC(=O)N[C@H](C[NH3+])c1cnn(C)c1 ZINC000020074859 170243297 /nfs/dbraw/zinc/24/32/97/170243297.db2.gz NDIXRLAIEJSIDP-MRVPVSSYSA-N 1 0 212.253 0.166 10 0 BCAERO CCOC(=O)[C@@H](C)[C@H](C)[NH2+]CC(C)(C)O ZINC000309064257 170249093 /nfs/dbraw/zinc/24/90/93/170249093.db2.gz YKGYXRFWHNTROM-IUCAKERBSA-N 1 0 217.309 0.935 10 0 BCAERO CCOC(=O)[C@@H](N)CC[N@H+](C)[C@@H](C)CC ZINC000062445017 170253006 /nfs/dbraw/zinc/25/30/06/170253006.db2.gz ZLFYIYQQBSEMEI-UWVGGRQHSA-N 1 0 216.325 0.997 10 0 BCAERO CCOC(=O)[C@@H]1CCCCN1C(=O)C[C@H](C)[NH3+] ZINC000037825340 170256994 /nfs/dbraw/zinc/25/69/94/170256994.db2.gz XACYCVFDZYQETI-UWVGGRQHSA-N 1 0 242.319 0.668 10 0 BCAERO CCOC(=O)[C@H](C)NCC[N@H+](C)CCOC ZINC000061378242 170267521 /nfs/dbraw/zinc/26/75/21/170267521.db2.gz QGZKOKQEWHJQBZ-JTQLQIEISA-N 1 0 232.324 0.106 10 0 BCAERO CCOC(=O)[C@H](N)C[N@H+](C)[C@@H](C)C(C)C ZINC000045391753 170274760 /nfs/dbraw/zinc/27/47/60/170274760.db2.gz LKEOOASARCKLEI-VHSXEESVSA-N 1 0 216.325 0.853 10 0 BCAERO CCOC(=O)[C@H](N)C[N@H+](C)C(CC)CC ZINC000045391223 170275525 /nfs/dbraw/zinc/27/55/25/170275525.db2.gz AEYGHJLNIXRDTG-SNVBAGLBSA-N 1 0 216.325 0.997 10 0 BCAERO CCOC(=O)[C@H]1CCCN1C1CC[NH2+]CC1 ZINC000038042531 170279972 /nfs/dbraw/zinc/27/99/72/170279972.db2.gz RCLVEBLEOJDOHD-LLVKDONJSA-N 1 0 226.320 0.766 10 0 BCAERO CCOC(=O)[C@H]1CCCCN1C(=O)C1C[NH2+]C1 ZINC000091410457 170280222 /nfs/dbraw/zinc/28/02/22/170280222.db2.gz WEGYHRUACNEFJW-SNVBAGLBSA-N 1 0 240.303 0.150 10 0 BCAERO CCOC(=O)[C@](C)(N)C[N@@H+]1CCCO[C@H](C)C1 ZINC000061933340 170284114 /nfs/dbraw/zinc/28/41/14/170284114.db2.gz VHGAPRVFWCYZKQ-ZYHUDNBSSA-N 1 0 244.335 0.378 10 0 BCAERO CCOC(=O)[C@](C)(O)C[NH2+][C@H]1CSC[C@@H]1C ZINC000336779129 170285048 /nfs/dbraw/zinc/28/50/48/170285048.db2.gz NGLCCUVNHUYGGC-ATZCPNFKSA-N 1 0 247.360 0.642 10 0 BCAERO CCOC(=O)c1cc(C[NH3+])nc(OC)n1 ZINC000095757194 170291837 /nfs/dbraw/zinc/29/18/37/170291837.db2.gz NBZITIFLQAFEKY-UHFFFAOYSA-N 1 0 211.221 0.121 10 0 BCAERO CCOC(=O)c1ccc(-n2nncc2C[NH3+])cc1 ZINC000062217727 170294796 /nfs/dbraw/zinc/29/47/96/170294796.db2.gz OFTPSPMQWJIQEG-UHFFFAOYSA-N 1 0 246.270 0.903 10 0 BCAERO CCOC(=O)c1ccoc1CN1CC[NH2+]CC1 ZINC000036946287 170300635 /nfs/dbraw/zinc/30/06/35/170300635.db2.gz ALZIOOPZCCEKOF-UHFFFAOYSA-N 1 0 238.287 0.862 10 0 BCAERO CCOC(=O)c1cnc(C2C[NH2+]C2)nc1 ZINC000095803854 170301398 /nfs/dbraw/zinc/30/13/98/170301398.db2.gz DZMZLWKUJSUPPR-UHFFFAOYSA-N 1 0 207.233 0.340 10 0 BCAERO CC(C)[C@H]([NH3+])C(=O)N[C@@H]1CCCOC1 ZINC000071023457 411572839 /nfs/dbraw/zinc/57/28/39/411572839.db2.gz YWSOMQRQASPWTM-BDAKNGLRSA-N 1 0 200.282 0.265 10 0 BCAERO CCOC1CCN([C@H]2COCC[C@@H]2[NH3+])CC1 ZINC000040689369 170332799 /nfs/dbraw/zinc/33/27/99/170332799.db2.gz YMJFGNIQMFSRJF-RYUDHWBXSA-N 1 0 228.336 0.604 10 0 BCAERO CCOCC(=O)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000104495132 170337721 /nfs/dbraw/zinc/33/77/21/170337721.db2.gz SFDSKJWLYANPSL-SNVBAGLBSA-N 1 0 214.309 0.433 10 0 BCAERO CCOCC(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000061883512 170346112 /nfs/dbraw/zinc/34/61/12/170346112.db2.gz ARPIZGPVCQNQQE-RKDXNWHRSA-N 1 0 200.282 0.267 10 0 BCAERO CCOCC(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000061883514 170347010 /nfs/dbraw/zinc/34/70/10/170347010.db2.gz ARPIZGPVCQNQQE-BDAKNGLRSA-N 1 0 200.282 0.267 10 0 BCAERO CCOCC(=O)N[C@H]1CCCC[C@H]1[NH3+] ZINC000038049043 170347318 /nfs/dbraw/zinc/34/73/18/170347318.db2.gz RWSIRRRVOJSUIJ-BDAKNGLRSA-N 1 0 200.282 0.409 10 0 BCAERO CCOCC(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000061883516 170347553 /nfs/dbraw/zinc/34/75/53/170347553.db2.gz ARPIZGPVCQNQQE-IUCAKERBSA-N 1 0 200.282 0.267 10 0 BCAERO CCOCC(=O)Nc1nc2c(s1)C[NH2+]CC2 ZINC000036233085 170350189 /nfs/dbraw/zinc/35/01/89/170350189.db2.gz BZWUNXUPIPXQLR-UHFFFAOYSA-N 1 0 241.316 0.764 10 0 BCAERO CCOCCC(=O)N1C[C@@H]2C[C@H]([NH3+])CC[C@@H]2C1 ZINC000053733638 170359775 /nfs/dbraw/zinc/35/97/75/170359775.db2.gz WHEYSVCKJKINFC-GRYCIOLGSA-N 1 0 240.347 0.999 10 0 BCAERO CCOCCC[NH2+]CC(=O)N[C@@H](C)CC ZINC000020054946 170380137 /nfs/dbraw/zinc/38/01/37/170380137.db2.gz IAHXCSLLCRPDJE-JTQLQIEISA-N 1 0 216.325 0.917 10 0 BCAERO CCOCCC[NH2+]CC(=O)N(CC)CC ZINC000020054954 170380923 /nfs/dbraw/zinc/38/09/23/170380923.db2.gz WWTFEWCHABONQJ-UHFFFAOYSA-N 1 0 216.325 0.871 10 0 BCAERO CCOCCC[NH2+]CCN1CCOCC1 ZINC000020055056 170380538 /nfs/dbraw/zinc/38/05/38/170380538.db2.gz OOIPFHSBKNVDKR-UHFFFAOYSA-N 1 0 216.325 0.335 10 0 BCAERO CCOCCN1CC[N@H+](C[C@@H](O)CC)C[C@H]1C ZINC000106386521 170399911 /nfs/dbraw/zinc/39/99/11/170399911.db2.gz ZRXUNUJPMOOXFL-OLZOCXBDSA-N 1 0 244.379 0.800 10 0 BCAERO CCOCCNC(=O)[C@H]1CCC[NH2+]C1 ZINC000036230155 170410087 /nfs/dbraw/zinc/41/00/87/170410087.db2.gz GBFGJZVYABSFBW-VIFPVBQESA-N 1 0 200.282 0.139 10 0 BCAERO CC[N@@H+]1CCC[C@H](Nc2cc(C#N)cnn2)C1 ZINC000396900163 411633527 /nfs/dbraw/zinc/63/35/27/411633527.db2.gz CZKLOZDXHINZAH-NSHDSACASA-N 1 0 231.303 1.244 10 0 BCAERO COC[C@H](C[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@@H]2C1)OC ZINC000660808079 411638664 /nfs/dbraw/zinc/63/86/64/411638664.db2.gz NGXJCGONHQDJKL-LOWDOPEQSA-N 1 0 243.347 0.741 10 0 BCAERO CN1C[C@@H](C[NH2+]C[C@H]2CCSC2)CC1=O ZINC000657694242 411579535 /nfs/dbraw/zinc/57/95/35/411579535.db2.gz BGUIGUWBUVEBHH-NXEZZACHSA-N 1 0 228.361 0.807 10 0 BCAERO CN1C[C@H](C[NH2+]C[C@H]2CCSC2)CC1=O ZINC000657694247 411579836 /nfs/dbraw/zinc/57/98/36/411579836.db2.gz BGUIGUWBUVEBHH-ZJUUUORDSA-N 1 0 228.361 0.807 10 0 BCAERO C=Cn1cc(C[NH2+]C[C@H]2CC(=O)N(C)C2)cn1 ZINC000657694504 411581143 /nfs/dbraw/zinc/58/11/43/411581143.db2.gz DLHOLEDPIVKBCW-SNVBAGLBSA-N 1 0 234.303 0.552 10 0 BCAERO CN1C[C@H](C[NH2+]Cc2cccnc2)CC1=O ZINC000657694587 411581148 /nfs/dbraw/zinc/58/11/48/411581148.db2.gz MXNGGKHOWKCUFL-NSHDSACASA-N 1 0 219.288 0.650 10 0 BCAERO Cc1ccncc1C[NH2+]C[C@H]1CC(=O)N(C)C1 ZINC000657696117 411581177 /nfs/dbraw/zinc/58/11/77/411581177.db2.gz RZGNOFYNQNESQI-LLVKDONJSA-N 1 0 233.315 0.958 10 0 BCAERO CN1C[C@@H](C[NH2+]Cc2cncs2)CC1=O ZINC000657695624 411581201 /nfs/dbraw/zinc/58/12/01/411581201.db2.gz NHFHXIRPNRSFCW-MRVPVSSYSA-N 1 0 225.317 0.711 10 0 BCAERO Cc1ncccc1C[NH2+]C[C@@H]1CC(=O)N(C)C1 ZINC000657696841 411581264 /nfs/dbraw/zinc/58/12/64/411581264.db2.gz LHFSTXQMPGNCDU-NSHDSACASA-N 1 0 233.315 0.958 10 0 BCAERO CN1C[C@@H](C[NH2+]Cc2ccncc2)CC1=O ZINC000657695194 411581337 /nfs/dbraw/zinc/58/13/37/411581337.db2.gz VPBDGARKQFWUDE-LLVKDONJSA-N 1 0 219.288 0.650 10 0 BCAERO CN1C[C@@H](C[NH2+]Cc2cnc3n2CCC3)CC1=O ZINC000657696701 411581381 /nfs/dbraw/zinc/58/13/81/411581381.db2.gz LRDMBTSQQRRZLZ-SNVBAGLBSA-N 1 0 248.330 0.397 10 0 BCAERO Cc1cc(C[NH2+]C[C@@H]2CC(=O)N(C)C2)nn1C ZINC000657697265 411581811 /nfs/dbraw/zinc/58/18/11/411581811.db2.gz RQQCEIQIVXSCOC-JTQLQIEISA-N 1 0 236.319 0.296 10 0 BCAERO CCO[C@@H](C)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000237023887 170471662 /nfs/dbraw/zinc/47/16/62/170471662.db2.gz CYEOEENQVCQVBS-DTWKUNHWSA-N 1 0 200.282 0.361 10 0 BCAERO COC[C@H](C[N@@H+]1CCC[C@H](O)[C@H]1C)OC ZINC000660691968 411617900 /nfs/dbraw/zinc/61/79/00/411617900.db2.gz KVMWGWIRAMLTRX-VWYCJHECSA-N 1 0 217.309 0.493 10 0 BCAERO COC[C@H](C[N@@H+]1CCC[C@H](O)[C@@H]1C)OC ZINC000660691965 411617978 /nfs/dbraw/zinc/61/79/78/411617978.db2.gz KVMWGWIRAMLTRX-DCAQKATOSA-N 1 0 217.309 0.493 10 0 BCAERO CCO[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H](C[NH2+]C)C1 ZINC000236852522 170485323 /nfs/dbraw/zinc/48/53/23/170485323.db2.gz JTAYBUUXGBUWGY-SDDRHHMPSA-N 1 0 240.347 0.869 10 0 BCAERO COc1cc(OC)nc(N[C@H](C)[C@@H](C)[NH3+])n1 ZINC000381629598 411708894 /nfs/dbraw/zinc/70/88/94/411708894.db2.gz UZVXSXKHFPKXPW-RNFRBKRXSA-N 1 0 226.280 0.641 10 0 BCAERO Cc1ccc2ccc(NCC[NH3+])nc2n1 ZINC000584647529 411709825 /nfs/dbraw/zinc/70/98/25/411709825.db2.gz XYRMIWGDTRPSSG-UHFFFAOYSA-N 1 0 202.261 1.309 10 0 BCAERO Cc1cccc2c(NCC[NH3+])ncnc12 ZINC000420126813 411713472 /nfs/dbraw/zinc/71/34/72/411713472.db2.gz USZMNLWIPSOEGJ-UHFFFAOYSA-N 1 0 202.261 1.309 10 0 BCAERO CCO[C@H](C)C(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000248842266 170500722 /nfs/dbraw/zinc/50/07/22/170500722.db2.gz GLIKJRCVTOZXDN-AEJSXWLSSA-N 1 0 214.309 0.668 10 0 BCAERO CCO[C@H]1CCCN(C(=O)n2cc[n+](C)c2)C1 ZINC000042424350 170504899 /nfs/dbraw/zinc/50/48/99/170504899.db2.gz PKDOLCNOMCBLLD-NSHDSACASA-N 1 0 238.311 0.782 10 0 BCAERO CC[NH2+][C@H](C)CNc1nnc(C)s1 ZINC000387611647 411650028 /nfs/dbraw/zinc/65/00/28/411650028.db2.gz YWRFOIPTGNZDNQ-ZCFIWIBFSA-N 1 0 200.311 1.256 10 0 BCAERO CC[NH2+][C@H](C)CNc1ncnc2[nH]ccc21 ZINC000420238539 411651117 /nfs/dbraw/zinc/65/11/17/411651117.db2.gz DPRNUYQKCRGLMR-MRVPVSSYSA-N 1 0 219.292 1.368 10 0 BCAERO O[C@@H]1C[NH2+]C[C@H]1CNc1ccc2ccccc2n1 ZINC000420255887 411695504 /nfs/dbraw/zinc/69/55/04/411695504.db2.gz TZRFBYDYCFXAKF-WCQYABFASA-N 1 0 243.310 1.227 10 0 BCAERO O[C@@H]1C[NH2+]C[C@H]1CNc1nc2ccccc2s1 ZINC000420259836 411696109 /nfs/dbraw/zinc/69/61/09/411696109.db2.gz ZIIIHSDKRYDPIY-WCBMZHEXSA-N 1 0 249.339 1.289 10 0 BCAERO O[C@H]1C[NH2+]C[C@@H]1CNc1nc2ccccc2o1 ZINC000420249192 411696884 /nfs/dbraw/zinc/69/68/84/411696884.db2.gz IWNHIUKRIQQILF-SCZZXKLOSA-N 1 0 233.271 0.820 10 0 BCAERO CC[C@@H]1[NH2+]CC[C@H]1Nc1nccn2c(C)nnc12 ZINC000630526592 411743009 /nfs/dbraw/zinc/74/30/09/411743009.db2.gz ZAFGVQMZEGCDGY-VHSXEESVSA-N 1 0 246.318 0.985 10 0 BCAERO CCS(=O)(=O)N(CC[NH3+])Cc1ccccn1 ZINC000076625974 170613768 /nfs/dbraw/zinc/61/37/68/170613768.db2.gz HOCJGOOQGAYDQT-UHFFFAOYSA-N 1 0 243.332 0.192 10 0 BCAERO CCOc1nccnc1N[C@@H](CC[NH3+])C(F)F ZINC000582350822 411719315 /nfs/dbraw/zinc/71/93/15/411719315.db2.gz JELGNOMOUBRLLN-ZETCQYMHSA-N 1 0 246.261 1.270 10 0 BCAERO OC[C@H]1COCC[N@@H+]1CC[C@@H]1CCCCO1 ZINC000661563522 411798170 /nfs/dbraw/zinc/79/81/70/411798170.db2.gz YZGQCAICFXRQSR-RYUDHWBXSA-N 1 0 229.320 0.639 10 0 BCAERO Cc1nnc2c(N[C@@H]3CC[C@@H](C[NH3+])C3)nccn12 ZINC000382484562 411805179 /nfs/dbraw/zinc/80/51/79/411805179.db2.gz YSVDOSDXGGOESD-NXEZZACHSA-N 1 0 246.318 0.972 10 0 BCAERO CCn1ccnc(NCCOCCC[NH3+])c1=O ZINC000630538332 411813215 /nfs/dbraw/zinc/81/32/15/411813215.db2.gz YXKSRDHFVIQNTQ-UHFFFAOYSA-N 1 0 240.307 0.041 10 0 BCAERO CCn1ccnc(N[C@H]2CC[C@@H](C)[NH2+]C2)c1=O ZINC000630533055 411813423 /nfs/dbraw/zinc/81/34/23/411813423.db2.gz NFPDWTLEGBPDGZ-ZJUUUORDSA-N 1 0 236.319 0.816 10 0 BCAERO C[C@@H]1CC[C@@H](Nc2ccc3nnnn3n2)C[NH2+]1 ZINC000630534359 411837515 /nfs/dbraw/zinc/83/75/15/411837515.db2.gz KBEBRBQGMRUSMB-HTQZYQBOSA-N 1 0 233.279 0.072 10 0 BCAERO C[C@@H]1CC[C@H](Nc2nccn(C)c2=O)C[NH2+]1 ZINC000630533867 411838587 /nfs/dbraw/zinc/83/85/87/411838587.db2.gz GKJZGXMOZQBVLS-BDAKNGLRSA-N 1 0 222.292 0.333 10 0 BCAERO C=CC(=O)N[C@H]1CCCN(c2cccc(N)[nH+]2)C1 ZINC000584627347 411848296 /nfs/dbraw/zinc/84/82/96/411848296.db2.gz GZJTZFPFTXKGEZ-JTQLQIEISA-N 1 0 246.314 0.935 10 0 BCAERO CC[N@@H+]1CCO[C@@H](n2ccc(N)n2)CC1 ZINC000616592984 411856514 /nfs/dbraw/zinc/85/65/14/411856514.db2.gz GRONRQMFFPSGQP-SNVBAGLBSA-N 1 0 210.281 0.706 10 0 BCAERO CC[C@@H](C)[NH2+][C@H](C)C(=O)NC(=O)NC ZINC000020303021 170756736 /nfs/dbraw/zinc/75/67/36/170756736.db2.gz RPJKYTJCTABAQI-RNFRBKRXSA-N 1 0 201.270 0.219 10 0 BCAERO CC[N@@H+]1CCOC[C@H](n2ccc(N)n2)C1 ZINC000616658137 411857614 /nfs/dbraw/zinc/85/76/14/411857614.db2.gz BYNMHUVURCKJIL-SECBINFHSA-N 1 0 210.281 0.359 10 0 BCAERO CC[N@@H+]1CCOC[C@H](c2cc(N)n[nH]2)C1 ZINC000616660712 411858060 /nfs/dbraw/zinc/85/80/60/411858060.db2.gz PMBNYGWCMCJZDV-MRVPVSSYSA-N 1 0 210.281 0.428 10 0 BCAERO CCN1CC[NH2+][C@@H](c2ccnc(N)c2)C1 ZINC000616632649 411858970 /nfs/dbraw/zinc/85/89/70/411858970.db2.gz VNUARBNMVIYMHS-SNVBAGLBSA-N 1 0 206.293 0.630 10 0 BCAERO CC[C@@H](C)[C@H]([NH3+])C(=O)NC1=NCCS1 ZINC000236913375 170794365 /nfs/dbraw/zinc/79/43/65/170794365.db2.gz DFJHDFNRQWXLKA-RQJHMYQMSA-N 1 0 215.322 0.579 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)NCC(F)F ZINC000133737843 411926631 /nfs/dbraw/zinc/92/66/31/411926631.db2.gz QTFFENQHCLUAGV-BQBZGAKWSA-N 1 0 206.236 0.743 10 0 BCAERO CC[C@@H](CO)[NH2+]Cc1ccc(OCCO)cc1 ZINC000013730994 170841246 /nfs/dbraw/zinc/84/12/46/170841246.db2.gz TZNXRKHOASJRLW-LBPRGKRZSA-N 1 0 239.315 0.918 10 0 BCAERO CC(C)[C@@H]([NH3+])CC(=O)N(C)CC[C@H](C)O ZINC000219742193 411882715 /nfs/dbraw/zinc/88/27/15/411882715.db2.gz UYEYRDMRQAEGHL-UWVGGRQHSA-N 1 0 216.325 0.589 10 0 BCAERO Nc1ccn([C@@H]2CCCC[N@H+](CCO)C2)n1 ZINC000616654809 411964499 /nfs/dbraw/zinc/96/44/99/411964499.db2.gz MWLOCJHBUKDLPH-SNVBAGLBSA-N 1 0 224.308 0.485 10 0 BCAERO CC[C@@H]([NH3+])[C@H](N1CCNC(=O)C1)C(C)(C)C ZINC000043291461 170868119 /nfs/dbraw/zinc/86/81/19/170868119.db2.gz HNVAQPDWQRCOQX-KOLCDFICSA-N 1 0 227.352 0.570 10 0 BCAERO C[C@H](C[C@@H]1COCCN1)[NH2+]CC[C@@H]1CCCO1 ZINC000133877935 411994081 /nfs/dbraw/zinc/99/40/81/411994081.db2.gz FVLLKFXNBLTNAZ-UPJWGTAASA-N 1 0 242.363 0.912 10 0 BCAERO C[C@@H]1C[N@H+](CC(C)(C)O)C[C@@]1(C)CO ZINC000662133940 411997887 /nfs/dbraw/zinc/99/78/87/411997887.db2.gz HIUHRRBZXYZPTF-KOLCDFICSA-N 1 0 201.310 0.708 10 0 BCAERO Nc1cc([C@H]2CCC[N@H+](CCO)C2)[nH]n1 ZINC000616618538 411948743 /nfs/dbraw/zinc/94/87/43/411948743.db2.gz YYTYZGKZKRHCHA-QMMMGPOBSA-N 1 0 210.281 0.164 10 0 BCAERO Cc1cc(CS(C)(=O)=O)cc(N)[nH+]1 ZINC000584628830 411952748 /nfs/dbraw/zinc/95/27/48/411952748.db2.gz XUGLZTMJXVQKRO-UHFFFAOYSA-N 1 0 200.263 0.517 10 0 BCAERO CC[C@@H](Oc1cccc(C[NH3+])c1)C(N)=O ZINC000061675473 170946618 /nfs/dbraw/zinc/94/66/18/170946618.db2.gz HIQQTFAGLUSADP-SNVBAGLBSA-N 1 0 208.261 0.788 10 0 BCAERO Nc1ccc([C@H]2CCC[N@H+](CCO)C2)cn1 ZINC000616618524 411959855 /nfs/dbraw/zinc/95/98/55/411959855.db2.gz YOVZDXBLVHKKBX-NSHDSACASA-N 1 0 221.304 0.836 10 0 BCAERO Nc1ccc([C@H]2CCOCC[N@@H+]2CCO)cn1 ZINC000616655309 411960413 /nfs/dbraw/zinc/96/04/13/411960413.db2.gz BQVRYVDUPGODJP-LLVKDONJSA-N 1 0 237.303 0.420 10 0 BCAERO CC[C@@H]1CN(C(=O)[C@@H](C)[NH2+]C)CCO1 ZINC000054072314 171066350 /nfs/dbraw/zinc/06/63/50/171066350.db2.gz ZREAKLWVOXJUBL-RKDXNWHRSA-N 1 0 200.282 0.232 10 0 BCAERO CC[C@@H]1CN(CCOCCO)[C@H](CC)C[NH2+]1 ZINC000083117818 171083092 /nfs/dbraw/zinc/08/30/92/171083092.db2.gz LEAJEMQNDGJIQS-VXGBXAGGSA-N 1 0 230.352 0.458 10 0 BCAERO CC[C@@H]1CN(C[C@]2(C[NH3+])CCOC2)CCO1 ZINC000051217062 171086048 /nfs/dbraw/zinc/08/60/48/171086048.db2.gz HPIWSOOABDJCEK-VXGBXAGGSA-N 1 0 228.336 0.463 10 0 BCAERO CC[C@@H]1CN(Cc2cc(C[NH3+])no2)CCO1 ZINC000052477219 171089717 /nfs/dbraw/zinc/08/97/17/171089717.db2.gz MTPIDIUMAJAJAH-SNVBAGLBSA-N 1 0 225.292 0.744 10 0 BCAERO CC[C@@H]1CN(c2c(C[NH3+])c(C)nn2C)CCO1 ZINC000036770489 171097398 /nfs/dbraw/zinc/09/73/98/171097398.db2.gz STUAQJCXNCYNBO-SNVBAGLBSA-N 1 0 238.335 0.802 10 0 BCAERO CC[C@@H]1C[NH2+]CCN1CCCn1ccnc1 ZINC000082476581 171101665 /nfs/dbraw/zinc/10/16/65/171101665.db2.gz ZFYRCAYUNFXMMN-GFCCVEGCSA-N 1 0 222.336 0.957 10 0 BCAERO CC[C@@H]1COCCN1C(=O)[C@@H]1CCC[NH2+]1 ZINC000036326538 171104249 /nfs/dbraw/zinc/10/42/49/171104249.db2.gz OLMZGVHDXJCPIP-ZJUUUORDSA-N 1 0 212.293 0.376 10 0 BCAERO CC[C@@H]1CO[C@@H](C)CN1C(=O)C(C)(C)C[NH3+] ZINC000044751916 171107641 /nfs/dbraw/zinc/10/76/41/171107641.db2.gz XQECSSHQZDJTLC-VHSXEESVSA-N 1 0 228.336 0.997 10 0 BCAERO CC[C@@H]1CO[C@H](C)CN1C(=O)C(C)(C)[NH3+] ZINC000040920820 171109273 /nfs/dbraw/zinc/10/92/73/171109273.db2.gz NGHPBQCDZPSTHB-RKDXNWHRSA-N 1 0 214.309 0.750 10 0 BCAERO CC[C@@]1(C(=O)N2CCn3ccnc3C2)CC[NH2+]C1 ZINC000062910609 171195369 /nfs/dbraw/zinc/19/53/69/171195369.db2.gz VHJGGAMCKALFLH-CYBMUJFWSA-N 1 0 248.330 0.615 10 0 BCAERO CC[C@@]1(C(=O)N[C@H]2CCCOC2)CCC[NH2+]1 ZINC000129032227 171197011 /nfs/dbraw/zinc/19/70/11/171197011.db2.gz GWWLBYZHBLXIPF-JQWIXIFHSA-N 1 0 226.320 0.814 10 0 BCAERO CC[C@@]1(C)NC(=O)N(C[C@@H]2CCC[NH2+]C2)C1=O ZINC000043493733 171209044 /nfs/dbraw/zinc/20/90/44/171209044.db2.gz SKPBXYBPTKTISC-BXKDBHETSA-N 1 0 239.319 0.707 10 0 BCAERO CC[C@H](C(N)=O)[N@@H+]1CCC[C@@H]1CCCO ZINC000061678810 171243740 /nfs/dbraw/zinc/24/37/40/171243740.db2.gz CIHSOXSIGNFGLW-NXEZZACHSA-N 1 0 214.309 0.487 10 0 BCAERO CC[C@H](C)C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000116789686 171249039 /nfs/dbraw/zinc/24/90/39/171249039.db2.gz PHSRDLZWLURJNZ-QWRGUYRKSA-N 1 0 228.336 0.822 10 0 BCAERO C1=CCC(CN2CCO[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000662284665 412075903 /nfs/dbraw/zinc/07/59/03/412075903.db2.gz YPMHNKDTJIRHAY-NWDGAFQWSA-N 1 0 208.305 0.625 10 0 BCAERO CC[C@H](C)C[C@@](CC)(C(N)=O)N1CC[NH2+]CC1 ZINC000037945591 171296312 /nfs/dbraw/zinc/29/63/12/171296312.db2.gz JEHBFRBQQRSEFM-AAEUAGOBSA-N 1 0 241.379 0.962 10 0 BCAERO CC[C@H](C)NC(=O)Cn1cccc(C[NH3+])c1=O ZINC000076730479 171328156 /nfs/dbraw/zinc/32/81/56/171328156.db2.gz AIBTWXIGLKZLTM-VIFPVBQESA-N 1 0 237.303 0.222 10 0 BCAERO CC[C@H](C)[NH2+]C1(C(N)=O)CCN(C)CC1 ZINC000038065345 171339111 /nfs/dbraw/zinc/33/91/11/171339111.db2.gz DFIZCJJLDHYRFH-VIFPVBQESA-N 1 0 213.325 0.324 10 0 BCAERO CC[C@H](C)[NH2+]CC(=O)NCc1nc(C)no1 ZINC000038035056 171339140 /nfs/dbraw/zinc/33/91/40/171339140.db2.gz ZYXPFFMKWDTXBZ-ZETCQYMHSA-N 1 0 226.280 0.382 10 0 BCAERO CC[C@H](C)[NH2+]CC(=O)N(C)C[C@@H](C)C(=O)OC ZINC000037823542 171339888 /nfs/dbraw/zinc/33/98/88/171339888.db2.gz MYUBETHCOBPYJP-ZJUUUORDSA-N 1 0 244.335 0.642 10 0 BCAERO CC[C@H](C)[C@@H](CN[C@H]1CC[NH2+]C1)OC ZINC000362975592 171369831 /nfs/dbraw/zinc/36/98/31/171369831.db2.gz GIRBFQDQFOYOBR-GARJFASQSA-N 1 0 200.326 0.999 10 0 BCAERO CC[C@H](C)[C@H]([NH3+])C(=O)N(C)[C@@H]1CCC[N@H+](C)C1 ZINC000053245636 171393460 /nfs/dbraw/zinc/39/34/60/171393460.db2.gz IBANLZUUTXVYEQ-TUAOUCFPSA-N 1 0 241.379 0.912 10 0 BCAERO CC[C@H](C)[C@H]([NH3+])C(=O)N1CCOCC1(C)C ZINC000042462960 171394252 /nfs/dbraw/zinc/39/42/52/171394252.db2.gz BZPLDXTZGAXDPP-UWVGGRQHSA-N 1 0 228.336 0.997 10 0 BCAERO CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@@H](O)C(C)C ZINC000163400322 171395573 /nfs/dbraw/zinc/39/55/73/171395573.db2.gz FXEDPIFNRGXFOQ-AEJSXWLSSA-N 1 0 216.325 0.493 10 0 BCAERO CC[C@H](C)[C@H]([NH3+])C(=O)Nc1ncccn1 ZINC000011960504 171396541 /nfs/dbraw/zinc/39/65/41/171396541.db2.gz HGHXSEVIYRNZBJ-YUMQZZPRSA-N 1 0 208.265 0.789 10 0 BCAERO CC[N@@H+]1CCC[C@H](NC(=O)c2ncccc2N)C1 ZINC000132583745 412106843 /nfs/dbraw/zinc/10/68/43/412106843.db2.gz MBQJVUBXNIFXQM-JTQLQIEISA-N 1 0 248.330 0.878 10 0 BCAERO CC[N@@H+]1CCC[C@@H](NC(=O)c2ncccc2N)C1 ZINC000132583970 412106918 /nfs/dbraw/zinc/10/69/18/412106918.db2.gz MBQJVUBXNIFXQM-SNVBAGLBSA-N 1 0 248.330 0.878 10 0 BCAERO CC[C@H](C[NH3+])CC(=O)N1CCOCC1 ZINC000076582730 171430571 /nfs/dbraw/zinc/43/05/71/171430571.db2.gz AOZMUXCEYITETK-VIFPVBQESA-N 1 0 200.282 0.220 10 0 BCAERO CC(=O)N[C@H]1CCN(C(=O)C[C@@H]([NH3+])C(C)C)C1 ZINC000134199234 412124634 /nfs/dbraw/zinc/12/46/34/412124634.db2.gz SWIDZHVXWSXQPO-WDEREUQCSA-N 1 0 241.335 0.097 10 0 BCAERO CC[C@H]([NH2+]C)C(=O)N[C@@H](C)[C@@H]1CCCO1 ZINC000662377458 412130184 /nfs/dbraw/zinc/13/01/84/412130184.db2.gz HLBXIHQGZLSQFB-GUBZILKMSA-N 1 0 214.309 0.668 10 0 BCAERO C[C@H](O)CCNC(=O)c1cccc2c1C[NH2+]C2 ZINC000662471123 412185874 /nfs/dbraw/zinc/18/58/74/412185874.db2.gz LHNYGILETJINHQ-VIFPVBQESA-N 1 0 234.299 0.791 10 0 BCAERO CC[C@H]([NH3+])C(=O)Nc1sccc1C(N)=O ZINC000040859447 171484131 /nfs/dbraw/zinc/48/41/31/171484131.db2.gz KJAUJRJWWIBCGR-LURJTMIESA-N 1 0 227.289 0.523 10 0 BCAERO CC[C@H]([NH2+]C)C(=O)N[C@H]1CCC[C@H](O)C1 ZINC000662495104 412193044 /nfs/dbraw/zinc/19/30/44/412193044.db2.gz HOZUZORHODLNOV-GUBZILKMSA-N 1 0 214.309 0.404 10 0 BCAERO CC[C@H]([NH2+]C)C(=O)N[C@@H]1CCC[C@H](O)C1 ZINC000662495105 412193154 /nfs/dbraw/zinc/19/31/54/412193154.db2.gz HOZUZORHODLNOV-UTLUCORTSA-N 1 0 214.309 0.404 10 0 BCAERO C[C@@H](NC(=O)[C@H]1C[C@H]([NH3+])C1)[C@H]1CCCO1 ZINC000662495432 412195411 /nfs/dbraw/zinc/19/54/11/412195411.db2.gz RUQHIBHQXDSLHS-ZYUZMQFOSA-N 1 0 212.293 0.407 10 0 BCAERO [NH3+][C@H]1C[C@H](C(=O)N[C@H]2CCC[C@@H](O)C2)C1 ZINC000662495499 412195664 /nfs/dbraw/zinc/19/56/64/412195664.db2.gz MELOCFHBQVASIY-AATLWQCWSA-N 1 0 212.293 0.143 10 0 BCAERO CC[C@H]([NH2+]C)C(=O)N[C@H]1CCO[C@H]1C ZINC000662510044 412200182 /nfs/dbraw/zinc/20/01/82/412200182.db2.gz BUIJEWPZNXQTHK-CIUDSAMLSA-N 1 0 200.282 0.278 10 0 BCAERO C[C@H]([NH3+])C[C@H](C)Nc1ccc2nncn2n1 ZINC000574989108 412215213 /nfs/dbraw/zinc/21/52/13/412215213.db2.gz FEYXJEDCQPIYQT-YUMQZZPRSA-N 1 0 220.280 0.662 10 0 BCAERO CC[C@H]([NH2+]C)C(=O)N[C@H]1CCO[C@@H]1C ZINC000662510046 412200495 /nfs/dbraw/zinc/20/04/95/412200495.db2.gz BUIJEWPZNXQTHK-VGMNWLOBSA-N 1 0 200.282 0.278 10 0 BCAERO CC[C@H]([NH2+]C[C@H]1CN(C)CCO1)[C@H]1CCOC1 ZINC000310160999 171528520 /nfs/dbraw/zinc/52/85/20/171528520.db2.gz LZVODWRDTNLSRK-AVGNSLFASA-N 1 0 242.363 0.722 10 0 BCAERO CO[C@H](C(=O)N1CCC[C@H]1C[NH3+])C1CCC1 ZINC000662425796 412165162 /nfs/dbraw/zinc/16/51/62/412165162.db2.gz NXCZIVDXFWZRSQ-QWRGUYRKSA-N 1 0 226.320 0.751 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)NCCO[C@@H]1CC1(F)F ZINC000662646378 412255252 /nfs/dbraw/zinc/25/52/52/412255252.db2.gz NUNIYQGKUJOYFO-HTQZYQBOSA-N 1 0 236.262 0.654 10 0 BCAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)NC[C@H](C)OC ZINC000662647022 412255427 /nfs/dbraw/zinc/25/54/27/412255427.db2.gz UDHKUONZQFGYHK-HRDYMLBCSA-N 1 0 202.298 0.511 10 0 BCAERO C[C@H]1CC[C@@H](Nc2nccn(C)c2=O)C[NH2+]1 ZINC000630533868 412261173 /nfs/dbraw/zinc/26/11/73/412261173.db2.gz GKJZGXMOZQBVLS-DTWKUNHWSA-N 1 0 222.292 0.333 10 0 BCAERO CC[C@H](O)C[NH2+][C@@H]1CCC(=O)N[C@H]1C ZINC000336664599 171575984 /nfs/dbraw/zinc/57/59/84/171575984.db2.gz UUHVWTJUMCBDCR-XHNCKOQMSA-N 1 0 200.282 0.014 10 0 BCAERO C[C@H]1[NH2+]CCC[C@@H]1Nc1ccc(C#N)nn1 ZINC000396990708 412270106 /nfs/dbraw/zinc/27/01/06/412270106.db2.gz BYLFDBXWXGVFSH-SCZZXKLOSA-N 1 0 217.276 0.901 10 0 BCAERO N#Cc1ccc(N[C@H]2CCC[C@@H]2C[NH3+])nn1 ZINC000397044815 412273931 /nfs/dbraw/zinc/27/39/31/412273931.db2.gz NSZTWSQYBVJRIV-SCZZXKLOSA-N 1 0 217.276 0.888 10 0 BCAERO [NH3+][C@@H]1CC[C@H](C(=O)N2CC[C@@H]3C[C@@H]3C2)C1 ZINC000662703378 412276988 /nfs/dbraw/zinc/27/69/88/412276988.db2.gz HGCFDFXVMFYRFB-LMLFDSFASA-N 1 0 208.305 0.982 10 0 BCAERO COC[C@@H]([NH3+])C(=O)NC[C@@H](OC)C1CCCC1 ZINC000662713215 412279981 /nfs/dbraw/zinc/27/99/81/412279981.db2.gz VUJKUMJJNHCGIA-GHMZBOCLSA-N 1 0 244.335 0.282 10 0 BCAERO CC[C@@H]([NH2+]C)C(=O)N1CCC([C@H](C)O)CC1 ZINC000662563912 412220039 /nfs/dbraw/zinc/22/00/39/412220039.db2.gz KJMWUQJBXIEPOB-GXSJLCMTSA-N 1 0 228.336 0.604 10 0 BCAERO CC[C@@H]([NH2+]C)C(=O)N1CCC([C@@H](C)O)CC1 ZINC000662563917 412220128 /nfs/dbraw/zinc/22/01/28/412220128.db2.gz KJMWUQJBXIEPOB-MWLCHTKSSA-N 1 0 228.336 0.604 10 0 BCAERO COC[C@@H]([NH3+])C(=O)NC[C@H](C)c1ccccn1 ZINC000662605144 412237635 /nfs/dbraw/zinc/23/76/35/412237635.db2.gz IJVIDBYXEIMOAV-VHSXEESVSA-N 1 0 237.303 0.275 10 0 BCAERO CCC(C)(C)[C@@H](C)NC(=O)[C@@H]([NH3+])COC ZINC000662626406 412247300 /nfs/dbraw/zinc/24/73/00/412247300.db2.gz NKHYJWMGKXLRAP-BDAKNGLRSA-N 1 0 216.325 0.901 10 0 BCAERO COC[C@H]([NH3+])C(=O)N1CCC(C2CCC2)CC1 ZINC000662630430 412249878 /nfs/dbraw/zinc/24/98/78/412249878.db2.gz FIXRIPIAABTVFJ-LBPRGKRZSA-N 1 0 240.347 0.999 10 0 BCAERO CC[C@H]1CN(C(=O)[C@@H]([NH3+])COC)CCS1 ZINC000132987474 171651609 /nfs/dbraw/zinc/65/16/09/171651609.db2.gz MHNNUQNKFICSLU-IUCAKERBSA-N 1 0 232.349 0.314 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)N[C@H](CO)C1CCC1 ZINC000662848963 412321952 /nfs/dbraw/zinc/32/19/52/412321952.db2.gz IXZXHLRHJKJRHE-NXEZZACHSA-N 1 0 214.309 0.391 10 0 BCAERO CN(CC1=CCCOC1)C(=O)[C@@]1(C)CCC[NH2+]1 ZINC000662871629 412330492 /nfs/dbraw/zinc/33/04/92/412330492.db2.gz BEERMNUGFKGCAT-CYBMUJFWSA-N 1 0 238.331 0.934 10 0 BCAERO C[C@]1(CNC(=O)[C@H]2C[NH2+]CCOC2)CC1(F)F ZINC000662875397 412332168 /nfs/dbraw/zinc/33/21/68/412332168.db2.gz ORGXOSKUPGRVPS-WCBMZHEXSA-N 1 0 248.273 0.384 10 0 BCAERO CC(F)(F)CNC(=O)C1(C[NH3+])CCOCC1 ZINC000662897386 412338628 /nfs/dbraw/zinc/33/86/28/412338628.db2.gz FXKRBXDHHKTFFI-UHFFFAOYSA-N 1 0 236.262 0.513 10 0 BCAERO CC1(C)C[C@]1(C)NC(=O)[C@@H]1C[NH2+]CCOC1 ZINC000662917610 412342011 /nfs/dbraw/zinc/34/20/11/412342011.db2.gz VYKAYEOWCPPFNH-SKDRFNHKSA-N 1 0 226.320 0.527 10 0 BCAERO C[C@]1(C(=O)N2CC[C@H]3C[C@H]3C2)CCC[NH2+]1 ZINC000662912455 412343413 /nfs/dbraw/zinc/34/34/13/412343413.db2.gz GKBAHMYSMHMHDI-JBLDHEPKSA-N 1 0 208.305 0.997 10 0 BCAERO CC[C@](C)(O)C[N@@H+]1C[C@@H](O)C(C)(C)C1 ZINC000307366030 171700354 /nfs/dbraw/zinc/70/03/54/171700354.db2.gz MOSNENYMDVKUOU-KOLCDFICSA-N 1 0 201.310 0.850 10 0 BCAERO [NH3+]CC1(C(=O)NCC2=CCCC2)CCOCC1 ZINC000662915697 412345183 /nfs/dbraw/zinc/34/51/83/412345183.db2.gz OPRKEMUYVKEHRE-UHFFFAOYSA-N 1 0 238.331 0.968 10 0 BCAERO Cc1cn(C)nc1NC(=O)[C@H]1CCC[NH2+]C1 ZINC000662970972 412360728 /nfs/dbraw/zinc/36/07/28/412360728.db2.gz WHZRAUFTHOKJLT-VIFPVBQESA-N 1 0 222.292 0.667 10 0 BCAERO CN(C(=O)C1CC1)[C@H](C[NH3+])C(F)(F)F ZINC000662975143 412361294 /nfs/dbraw/zinc/36/12/94/412361294.db2.gz GCGRSONLPNBCMU-ZCFIWIBFSA-N 1 0 210.199 0.744 10 0 BCAERO C[C@@H]1C[C@H]1C(=O)N(C)[C@@H](C[NH3+])C(F)(F)F ZINC000662976746 412361869 /nfs/dbraw/zinc/36/18/69/412361869.db2.gz PZVVYJCAWIGSHK-QYNIQEEDSA-N 1 0 224.226 0.990 10 0 BCAERO CC(C)OCC(=O)N(C)[C@@H](C[NH3+])C(F)(F)F ZINC000662984628 412362769 /nfs/dbraw/zinc/36/27/69/412362769.db2.gz SMJROVAHUBKFHJ-ZETCQYMHSA-N 1 0 242.241 0.759 10 0 BCAERO C[NH2+]C[C@@H](C)Nc1ccc(C(=O)OC)c(C)n1 ZINC000596032932 412290586 /nfs/dbraw/zinc/29/05/86/412290586.db2.gz QDAAEKOFBYYLCU-MRVPVSSYSA-N 1 0 237.303 1.196 10 0 BCAERO [NH3+]C1CC(Nc2ccc(Br)nn2)C1 ZINC000575589364 412295637 /nfs/dbraw/zinc/29/56/37/412295637.db2.gz VWCVKGVYCIGIGO-UHFFFAOYSA-N 1 0 243.108 1.141 10 0 BCAERO [NH3+]CCN1CCC[C@H](Nc2cc[nH]n2)C1 ZINC000616620910 412299189 /nfs/dbraw/zinc/29/91/89/412299189.db2.gz OAKKZTFHUJSVPP-VIFPVBQESA-N 1 0 209.297 0.245 10 0 BCAERO [NH3+]CC[C@@H](Nc1cnccn1)C(F)F ZINC000383421478 412299848 /nfs/dbraw/zinc/29/98/48/412299848.db2.gz APZSQRYLMYJWNQ-ZCFIWIBFSA-N 1 0 202.208 0.871 10 0 BCAERO Cc1cc(C)nc(N2CCO[C@H]([C@@H](C)[NH3+])C2)n1 ZINC000132991530 412385096 /nfs/dbraw/zinc/38/50/96/412385096.db2.gz QFFBNIBWBVCQNO-MNOVXSKESA-N 1 0 236.319 0.646 10 0 BCAERO Cc1cc(C)nc(N2CCO[C@@H]([C@@H](C)[NH3+])C2)n1 ZINC000132991726 412385123 /nfs/dbraw/zinc/38/51/23/412385123.db2.gz QFFBNIBWBVCQNO-GHMZBOCLSA-N 1 0 236.319 0.646 10 0 BCAERO C[C@H]([NH3+])[C@H]1CN(C(=O)CC(F)(F)F)CCO1 ZINC000133013176 412388672 /nfs/dbraw/zinc/38/86/72/412388672.db2.gz RKXKKBGEYMGXOS-NKWVEPMBSA-N 1 0 240.225 0.513 10 0 BCAERO Cc1cc(NCC23CC(C2)C[NH2+]3)ncn1 ZINC000663273554 412404116 /nfs/dbraw/zinc/40/41/16/412404116.db2.gz DNVCAHOEKSNQIN-UHFFFAOYSA-N 1 0 204.277 0.949 10 0 BCAERO CCc1nsc(NC[C@H]2C[NH2+]C[C@H]2O)n1 ZINC000663273094 412404444 /nfs/dbraw/zinc/40/44/44/412404444.db2.gz WRJQBDVEUOVABA-RNFRBKRXSA-N 1 0 228.321 0.093 10 0 BCAERO Cn1ncc2c1ncnc2NCC12CC(C1)C[NH2+]2 ZINC000663275306 412405421 /nfs/dbraw/zinc/40/54/21/412405421.db2.gz VSYVNLKNWIXRPI-UHFFFAOYSA-N 1 0 244.302 0.527 10 0 BCAERO Cc1cccc(NCc2nc(C[NH3+])cc(=O)[nH]2)n1 ZINC000663277919 412407173 /nfs/dbraw/zinc/40/71/73/412407173.db2.gz ZQJLCOCLLTVCEJ-UHFFFAOYSA-N 1 0 245.286 0.956 10 0 BCAERO CCOc1cncc(N[C@H](C)C[NH2+]C)n1 ZINC000663278017 412407633 /nfs/dbraw/zinc/40/76/33/412407633.db2.gz BGHOVZXTRJSMDM-MRVPVSSYSA-N 1 0 210.281 0.895 10 0 BCAERO C[NH2+]C[C@@H](C)Nc1cn[nH]c(=O)c1Cl ZINC000663280254 412408276 /nfs/dbraw/zinc/40/82/76/412408276.db2.gz GGLPOYVCQMSGMA-RXMQYKEDSA-N 1 0 216.672 0.855 10 0 BCAERO [NH3+][C@H]1CC[C@H](C(=O)NCC2(CO)CC2)C1 ZINC000133102239 412409948 /nfs/dbraw/zinc/40/99/48/412409948.db2.gz NJUDTTWNAUKPSN-IUCAKERBSA-N 1 0 212.293 0.003 10 0 BCAERO [NH3+][C@H]1CCC[C@@H](C(=O)NCC2(CO)CC2)C1 ZINC000133103899 412410989 /nfs/dbraw/zinc/41/09/89/412410989.db2.gz GITWULMYHCDPQY-ZJUUUORDSA-N 1 0 226.320 0.393 10 0 BCAERO CCc1ncnc(N2CC[C@H]([NH3+])C2)c1C ZINC000045954466 172031176 /nfs/dbraw/zinc/03/11/76/172031176.db2.gz IYKJGYXGCQFXRN-VIFPVBQESA-N 1 0 206.293 0.885 10 0 BCAERO CCc1ncnc(NC[C@H]2C[NH2+]CCO2)c1F ZINC000234192699 172031664 /nfs/dbraw/zinc/03/16/64/172031664.db2.gz VGGDAKCTNKFAII-MRVPVSSYSA-N 1 0 240.282 0.578 10 0 BCAERO CCc1nnc(N2CC[C@H](C[NH3+])C2)nc1CC ZINC000097837886 172056644 /nfs/dbraw/zinc/05/66/44/172056644.db2.gz CCSVYJYTYILQGK-SECBINFHSA-N 1 0 235.335 0.781 10 0 BCAERO CCn1c(C)nnc1CN1CCC[NH2+]CC1 ZINC000061145945 172139744 /nfs/dbraw/zinc/13/97/44/172139744.db2.gz LUAULEGGGZNDTQ-UHFFFAOYSA-N 1 0 223.324 0.402 10 0 BCAERO CCn1c(C)nnc1[C@@H](C)N1CC[NH2+]CC1 ZINC000051658866 172141950 /nfs/dbraw/zinc/14/19/50/172141950.db2.gz AAWHTDIQWMXYQX-SECBINFHSA-N 1 0 223.324 0.573 10 0 BCAERO CCn1c(SC2CCC([NH3+])CC2)n[nH]c1=O ZINC000061593801 172147143 /nfs/dbraw/zinc/14/71/43/172147143.db2.gz CKAFMSHUGRKVKC-UHFFFAOYSA-N 1 0 242.348 0.953 10 0 BCAERO CC(C)(C)[C@@H](O)CNC(=O)[C@@]1(C)CCC[NH2+]1 ZINC000324503214 487624116 /nfs/dbraw/zinc/62/41/16/487624116.db2.gz LGIGQIPKMIACJH-JOYOIKCWSA-N 1 0 228.336 0.652 10 0 BCAERO CCn1cc(CN2CCC[C@@H]2C[NH3+])cn1 ZINC000020315820 172165754 /nfs/dbraw/zinc/16/57/54/172165754.db2.gz OBPKJMUJAQICPW-LLVKDONJSA-N 1 0 208.309 0.826 10 0 BCAERO CCn1cc(C[NH2+]C[C@@H]2CN(C)CCO2)cn1 ZINC000083421850 172171880 /nfs/dbraw/zinc/17/18/80/172171880.db2.gz FEDVBICKHLGMPJ-GFCCVEGCSA-N 1 0 238.335 0.323 10 0 BCAERO CCn1cc(N2CC[C@@H]([NH2+]C)C2=O)cn1 ZINC000049648214 172178144 /nfs/dbraw/zinc/17/81/44/172178144.db2.gz MABRMEATRONQOH-SECBINFHSA-N 1 0 208.265 0.228 10 0 BCAERO CCn1cc([C@H](C)N2CC[NH2+]CC2)cn1 ZINC000044500907 172196362 /nfs/dbraw/zinc/19/63/62/172196362.db2.gz OHXJTJGKDOJZMN-JTQLQIEISA-N 1 0 208.309 0.869 10 0 BCAERO CCn1ccc(=O)n(C[C@@H]2CCC[NH2+]C2)c1=O ZINC000104288291 172200153 /nfs/dbraw/zinc/20/01/53/172200153.db2.gz PTVQEJQOKDKUFH-SNVBAGLBSA-N 1 0 237.303 0.030 10 0 BCAERO CCn1ccnc(N[C@@H]2CCC[NH2+][C@H]2C)c1=O ZINC000229604952 172212258 /nfs/dbraw/zinc/21/22/58/172212258.db2.gz XIXCXVBNURVBNG-VHSXEESVSA-N 1 0 236.319 0.816 10 0 BCAERO CCn1ccnc(OC2CC[NH2+]CC2)c1=O ZINC000061771472 172213056 /nfs/dbraw/zinc/21/30/56/172213056.db2.gz CFTJXDNENSNXBE-UHFFFAOYSA-N 1 0 223.276 0.394 10 0 BCAERO CCn1ccnc(N[C@H]2CC[NH2+]C2)c1=O ZINC000061768287 172213169 /nfs/dbraw/zinc/21/31/69/172213169.db2.gz HLJCORDURINCIJ-QMMMGPOBSA-N 1 0 208.265 0.037 10 0 BCAERO CCn1cnc2sc(C[NH3+])cc2c1=O ZINC000019773133 172233365 /nfs/dbraw/zinc/23/33/65/172233365.db2.gz VPKRZOUJZQWBMJ-UHFFFAOYSA-N 1 0 209.274 0.937 10 0 BCAERO CN(C(=O)C[NH3+])c1cc(F)ccc1F ZINC000082589060 172307759 /nfs/dbraw/zinc/30/77/59/172307759.db2.gz WGNCFLSBLDDMML-UHFFFAOYSA-N 1 0 200.188 0.886 10 0 BCAERO CN(C(=O)C[NH2+][C@H]1CCCC[C@H]1O)C1CC1 ZINC000052015124 172309519 /nfs/dbraw/zinc/30/95/19/172309519.db2.gz AMICXBLMVMXQJC-WDEREUQCSA-N 1 0 226.320 0.500 10 0 BCAERO CN(C(=O)CN1CC[NH2+]CC1)C1=CCCC1 ZINC000036946238 172310436 /nfs/dbraw/zinc/31/04/36/172310436.db2.gz MRXSNASOFAIFKD-UHFFFAOYSA-N 1 0 223.320 0.418 10 0 BCAERO CN(C(=O)Cc1ccc(F)cc1F)C1C[NH2+]C1 ZINC000095067734 172315163 /nfs/dbraw/zinc/31/51/63/172315163.db2.gz LQCWCLDDMRHBPS-UHFFFAOYSA-N 1 0 240.253 0.938 10 0 BCAERO CN(C(=O)[C@@H]1CCCC[NH2+]1)C1CCOCC1 ZINC000036320966 172326310 /nfs/dbraw/zinc/32/63/10/172326310.db2.gz QBBRMJVQKYQXOX-NSHDSACASA-N 1 0 226.320 0.766 10 0 BCAERO CN(C(=O)[C@@H]1CCCCO1)[C@@H]1CCC[NH2+]C1 ZINC000050959935 172326605 /nfs/dbraw/zinc/32/66/05/172326605.db2.gz ROYYMAPRCVFGLD-MNOVXSKESA-N 1 0 226.320 0.766 10 0 BCAERO CN(C(=O)[C@@H]1CCC[C@H]([NH3+])C1)[C@@H]1CCOC1 ZINC000133838507 172327551 /nfs/dbraw/zinc/32/75/51/172327551.db2.gz ISNHBXXCDIXQBU-OUAUKWLOSA-N 1 0 226.320 0.751 10 0 BCAERO CN(C(=O)[C@@H]1CCCOC1)[C@@H]1CCC[NH2+]C1 ZINC000054768762 172327702 /nfs/dbraw/zinc/32/77/02/172327702.db2.gz YPFYWSPDUKQZDJ-GHMZBOCLSA-N 1 0 226.320 0.623 10 0 BCAERO CN(C(=O)[C@@H]1COc2ccccc2O1)C1C[NH2+]C1 ZINC000090289722 172328819 /nfs/dbraw/zinc/32/88/19/172328819.db2.gz UUOZMXAEXWWTAO-LBPRGKRZSA-N 1 0 248.282 0.257 10 0 BCAERO CN(C(=O)[C@H]1CCCC[NH2+]1)C1CCOCC1 ZINC000036320967 172332982 /nfs/dbraw/zinc/33/29/82/172332982.db2.gz QBBRMJVQKYQXOX-LLVKDONJSA-N 1 0 226.320 0.766 10 0 BCAERO CN(C(=O)[C@H]1CCCO1)[C@H]1CCC[NH2+]C1 ZINC000037470143 172333874 /nfs/dbraw/zinc/33/38/74/172333874.db2.gz JBLDEPQXOXQGPE-VHSXEESVSA-N 1 0 212.293 0.376 10 0 BCAERO CN(C(=O)[C@H]1C[C@@H](O)C[NH2+]1)C1CCCC1 ZINC000037092804 172335014 /nfs/dbraw/zinc/33/50/14/172335014.db2.gz ANLXOJWPOUWVML-NXEZZACHSA-N 1 0 212.293 0.110 10 0 BCAERO CN(C(=O)c1cccnc1)C(C)(C)C[NH3+] ZINC000098168216 172342930 /nfs/dbraw/zinc/34/29/30/172342930.db2.gz NKKQTTSVXKDDMK-UHFFFAOYSA-N 1 0 207.277 0.891 10 0 BCAERO CN(C(=O)c1ccsc1)[C@@H]1C[NH2+]C[C@H]1O ZINC000036261185 172345324 /nfs/dbraw/zinc/34/53/24/172345324.db2.gz UHCVDDRVCKTWCL-RKDXNWHRSA-N 1 0 226.301 0.153 10 0 BCAERO CN(C(=O)c1cnn(C)c1)C1CC[NH2+]CC1 ZINC000036283252 172346207 /nfs/dbraw/zinc/34/62/07/172346207.db2.gz BEBJTKLSKQBHSS-UHFFFAOYSA-N 1 0 222.292 0.244 10 0 BCAERO CN(C)C(=O)CC[NH2+][C@@H]1CCN2CCC[C@H]12 ZINC000049567331 172360722 /nfs/dbraw/zinc/36/07/22/172360722.db2.gz QOUJNBIEOKZDDT-GHMZBOCLSA-N 1 0 225.336 0.291 10 0 BCAERO CN(C)C(=O)CCOC1CC[NH2+]CC1 ZINC000037898213 172361731 /nfs/dbraw/zinc/36/17/31/172361731.db2.gz XTMRFYIJYSIIHG-UHFFFAOYSA-N 1 0 200.282 0.233 10 0 BCAERO CN(C)C(=O)CN(C)C(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000055087157 172362438 /nfs/dbraw/zinc/36/24/38/172362438.db2.gz OITUBJWKEVDCTJ-VHSXEESVSA-N 1 0 241.335 0.051 10 0 BCAERO CN(C)C(=O)CN(C)c1ccccc1C[NH3+] ZINC000037269542 172363710 /nfs/dbraw/zinc/36/37/10/172363710.db2.gz MUURALMEFWDTSK-UHFFFAOYSA-N 1 0 221.304 0.670 10 0 BCAERO CN(C)C(=O)C[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000116320232 172366746 /nfs/dbraw/zinc/36/67/46/172366746.db2.gz PXLUDVSJQMONAV-JTQLQIEISA-N 1 0 236.319 0.298 10 0 BCAERO CN(C)C(=O)c1cc(OCC[NH3+])ccn1 ZINC000051870057 172388669 /nfs/dbraw/zinc/38/86/69/172388669.db2.gz DYGHMNFSCFGFHN-UHFFFAOYSA-N 1 0 209.249 0.121 10 0 BCAERO CN(C)C(=O)c1ccc(N2CC[NH2+]CC2)nc1 ZINC000049826854 172390343 /nfs/dbraw/zinc/39/03/43/172390343.db2.gz YCEPJLOTPCEEAD-UHFFFAOYSA-N 1 0 234.303 0.193 10 0 BCAERO C[NH+](C)C[C@H]1CN(C(=O)c2ccon2)CCO1 ZINC000116791192 172497759 /nfs/dbraw/zinc/49/77/59/172497759.db2.gz WPQFLRJSRMIFFF-VIFPVBQESA-N 1 0 239.275 0.077 10 0 BCAERO CN(CC(=O)c1cnccn1)[C@H]1CCC[NH2+]C1 ZINC000095070705 172619557 /nfs/dbraw/zinc/61/95/57/172619557.db2.gz DQGJOCLUJDWGMS-JTQLQIEISA-N 1 0 234.303 0.343 10 0 BCAERO CN(CC1CCC1)C(=O)CN1CCC[NH2+]CC1 ZINC000061479740 172654170 /nfs/dbraw/zinc/65/41/70/172654170.db2.gz NZFPELNITRSABI-UHFFFAOYSA-N 1 0 239.363 0.540 10 0 BCAERO CN(C[C@@H]1CCCCO1)C(=O)[C@H]1CC[NH2+]C1 ZINC000062116424 172807774 /nfs/dbraw/zinc/80/77/74/172807774.db2.gz VIXNQYFQGGNWKD-QWRGUYRKSA-N 1 0 226.320 0.623 10 0 BCAERO CN(C[C@@H]1CCC[NH2+]C1)c1cnccn1 ZINC000095071096 172810044 /nfs/dbraw/zinc/81/00/44/172810044.db2.gz PZSLUXXVMSUETQ-SNVBAGLBSA-N 1 0 206.293 0.912 10 0 BCAERO CN(C[C@@H]1CCOC1)C(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000162259671 172817522 /nfs/dbraw/zinc/81/75/22/172817522.db2.gz BNEHZLAFSJDJKE-SRVKXCTJSA-N 1 0 240.347 0.999 10 0 BCAERO CN(Cc1nccn1C)[C@@H]1CCC[C@@H]1[NH3+] ZINC000062251133 172931861 /nfs/dbraw/zinc/93/18/61/172931861.db2.gz ZVHPBTXYFGGCMB-VHSXEESVSA-N 1 0 208.309 0.732 10 0 BCAERO CN([C@@H]1CCS(=O)(=O)C1)[C@H]1CCCC[NH2+]C1 ZINC000054135111 172944738 /nfs/dbraw/zinc/94/47/38/172944738.db2.gz WNWSVLLDRIWQON-WDEREUQCSA-N 1 0 246.376 0.247 10 0 BCAERO CN(c1cc[nH+]cc1N)[C@@H]1CCS(=O)(=O)C1 ZINC000036869532 172952088 /nfs/dbraw/zinc/95/20/88/172952088.db2.gz MQXNUXCVJCMAIN-MRVPVSSYSA-N 1 0 241.316 0.287 10 0 BCAERO CN1C(=O)Cc2cc([C@H](O)[C@H]3CCC[NH2+]3)ccc21 ZINC000062534889 172967558 /nfs/dbraw/zinc/96/75/58/172967558.db2.gz NEGNTGXNKMEYCF-RISCZKNCSA-N 1 0 246.310 0.991 10 0 BCAERO C[N@@H+]1CCCN(CCn2cc(N)cn2)CC1 ZINC000050614637 173014947 /nfs/dbraw/zinc/01/49/47/173014947.db2.gz HPOBYKGLBLWUAR-UHFFFAOYSA-N 1 0 223.324 0.103 10 0 BCAERO CN1CCC[C@H](C[NH2+]C2CCS(=O)CC2)C1 ZINC000044532686 173041648 /nfs/dbraw/zinc/04/16/48/173041648.db2.gz VBBHYPUUGKXEMM-OPGSHWCFSA-N 1 0 244.404 0.829 10 0 BCAERO CN(C(=O)c1cccnc1N)[C@H]1CCC[N@H+](C)C1 ZINC000053250977 173045068 /nfs/dbraw/zinc/04/50/68/173045068.db2.gz RHDNZFFOTGEOSX-JTQLQIEISA-N 1 0 248.330 0.830 10 0 BCAERO C[N@@H+]1CCC[C@H](NC(=O)[C@](C)([NH3+])C2CC2)C1 ZINC000040673747 173046549 /nfs/dbraw/zinc/04/65/49/173046549.db2.gz CNEOCDZJQIBZGV-CMPLNLGQSA-N 1 0 225.336 0.324 10 0 BCAERO CN1CCC[C@H]([NH2+]C2CCS(=O)(=O)CC2)C1 ZINC000040672743 173046838 /nfs/dbraw/zinc/04/68/38/173046838.db2.gz AVILQYSDVJDEKN-NSHDSACASA-N 1 0 246.376 0.247 10 0 BCAERO CN1CC[NH+](C(C)(C)C(N)=S)CC1 ZINC000019935835 173073196 /nfs/dbraw/zinc/07/31/96/173073196.db2.gz ZHMHMGCDJUNGCF-UHFFFAOYSA-N 1 0 201.339 0.299 10 0 BCAERO CN1CCN(C(=O)OC(C)(C)C)[C@@H](CC[NH3+])C1 ZINC000096986180 173069419 /nfs/dbraw/zinc/06/94/19/173069419.db2.gz HCKZOVMFOPWRJL-JTQLQIEISA-N 1 0 243.351 0.886 10 0 BCAERO CN1CCN(C(=O)[C@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000055085911 173071400 /nfs/dbraw/zinc/07/14/00/173071400.db2.gz FOUUSIWQWHGEGE-QWRGUYRKSA-N 1 0 225.336 0.278 10 0 BCAERO CN1CCN(Cc2cccnc2C[NH3+])C1=O ZINC000061657139 173091211 /nfs/dbraw/zinc/09/12/11/173091211.db2.gz QMVVXHXLTFURSQ-UHFFFAOYSA-N 1 0 220.276 0.408 10 0 BCAERO CN1CCN([C@@]2(C[NH3+])CCCSC2)CC1 ZINC000061589841 173095235 /nfs/dbraw/zinc/09/52/35/173095235.db2.gz JBGPGOFPVYVHNQ-LLVKDONJSA-N 1 0 229.393 0.458 10 0 BCAERO Cn1ccc(C[NH2+]C[C@H]2CN(C)CCO2)c1 ZINC000085790332 173101713 /nfs/dbraw/zinc/10/17/13/173101713.db2.gz CZSICZJHCOWXLJ-LBPRGKRZSA-N 1 0 223.320 0.445 10 0 BCAERO Cn1cccc1C[NH2+]C[C@H]1CN(C)CCO1 ZINC000082784139 173102344 /nfs/dbraw/zinc/10/23/44/173102344.db2.gz KOYPKBCUEWSENV-LBPRGKRZSA-N 1 0 223.320 0.445 10 0 BCAERO CN1CCO[C@@H](C[NH2+]Cc2cccc(O)c2)C1 ZINC000105472234 173102443 /nfs/dbraw/zinc/10/24/43/173102443.db2.gz DJULNHIGOLPGAH-ZDUSSCGKSA-N 1 0 236.315 0.812 10 0 BCAERO CN1CCO[C@H](C[NH2+]CC[C@H]2CCOC2)C1 ZINC000300360603 173107291 /nfs/dbraw/zinc/10/72/91/173107291.db2.gz WBSJSYGTEDRHSV-NWDGAFQWSA-N 1 0 228.336 0.333 10 0 BCAERO C[N@@H+]1CC[C@@H](CNC(=O)c2cc(N)c[nH]2)C1 ZINC000037484524 173115479 /nfs/dbraw/zinc/11/54/79/173115479.db2.gz DBYTYQWEORARKX-QMMMGPOBSA-N 1 0 222.292 0.278 10 0 BCAERO C[N@@H+]1CC[C@@H](CNc2ncnc3nc[nH]c32)C1 ZINC000037647745 173117913 /nfs/dbraw/zinc/11/79/13/173117913.db2.gz INPVQWRJWJYXGR-QMMMGPOBSA-N 1 0 232.291 0.717 10 0 BCAERO C[N@@H+]1CC[C@@H](CNCc2ncccn2)C1 ZINC000054459271 173118011 /nfs/dbraw/zinc/11/80/11/173118011.db2.gz ZPIRAXXKYSHZJF-JTQLQIEISA-N 1 0 206.293 0.518 10 0 BCAERO CN1CC[C@@H]([N@@H+]2CCC[C@@H](c3nnc[nH]3)C2)C1=O ZINC000328635536 173119696 /nfs/dbraw/zinc/11/96/96/173119696.db2.gz CCJMNFKCGWWCNY-NXEZZACHSA-N 1 0 249.318 0.215 10 0 BCAERO Cn1cc(N)cc1C(=O)N[C@@H]1CC[N@H+](C)C1 ZINC000042543607 173122139 /nfs/dbraw/zinc/12/21/39/173122139.db2.gz QVQSLJJQNFJVTG-SECBINFHSA-N 1 0 222.292 0.041 10 0 BCAERO C[N@@H+]1CC[C@@H](NC(=O)c2ccc3c[nH]nc3c2)C1 ZINC000061670640 173123667 /nfs/dbraw/zinc/12/36/67/173123667.db2.gz NOLPNRCZBCUOND-LLVKDONJSA-N 1 0 244.298 0.997 10 0 BCAERO C[N@@H+]1CC[C@@H](NC(=O)c2sccc2N)C1 ZINC000042543687 173124559 /nfs/dbraw/zinc/12/45/59/173124559.db2.gz DBBYGDXIAIOVDD-SSDOTTSWSA-N 1 0 225.317 0.764 10 0 BCAERO C[N@@H+]1CC[C@@H](Nc2cccnc2-n2cncn2)C1 ZINC000061989393 173126064 /nfs/dbraw/zinc/12/60/64/173126064.db2.gz AIOFDMAGWJFFNN-SNVBAGLBSA-N 1 0 244.302 0.778 10 0 BCAERO C[N@@H+]1CC[C@@H](NC2N=NC(=S)S2)C1 ZINC000042548286 173127226 /nfs/dbraw/zinc/12/72/26/173127226.db2.gz VEHBGYLBTWLOHL-RXMQYKEDSA-N 1 0 216.335 0.943 10 0 BCAERO C[N@@H+]1CC[C@@](NCc2ccccc2)(C(N)=O)C1 ZINC000061990959 173135618 /nfs/dbraw/zinc/13/56/18/173135618.db2.gz XJIMSNMZUVXLCN-ZDUSSCGKSA-N 1 0 233.315 0.336 10 0 BCAERO CN1CC[C@@](CN)([NH+]2CCCCCC2)C1 ZINC000061990022 173135687 /nfs/dbraw/zinc/13/56/87/173135687.db2.gz DNLFQNTYXKAJJJ-LBPRGKRZSA-N 1 0 211.353 0.895 10 0 BCAERO CN(C[C@H]1CC[N@H+](C)C1)C(=O)c1cc[nH]c(=O)c1 ZINC000155344043 173142687 /nfs/dbraw/zinc/14/26/87/173142687.db2.gz GJQGUTHWYQRWIC-JTQLQIEISA-N 1 0 249.314 0.399 10 0 BCAERO C[N@@H+]1CC[C@H](CNC(=O)c2cc[nH]c(=O)c2)C1 ZINC000129947893 173144426 /nfs/dbraw/zinc/14/44/26/173144426.db2.gz KENCERPDLZXPDB-SECBINFHSA-N 1 0 235.287 0.056 10 0 BCAERO C[N@@H+]1CC[C@H](CNC(=O)c2cc(N)c[nH]2)C1 ZINC000037484523 173144689 /nfs/dbraw/zinc/14/46/89/173144689.db2.gz DBYTYQWEORARKX-MRVPVSSYSA-N 1 0 222.292 0.278 10 0 BCAERO C[N@@H+]1CC[C@H](NC(=O)COc2ccccc2N)C1 ZINC000042543531 173150514 /nfs/dbraw/zinc/15/05/14/173150514.db2.gz JQPDTQZWYOZLKF-JTQLQIEISA-N 1 0 249.314 0.468 10 0 BCAERO CN1CC[C@H]([NH2+]CC(=O)NC(C)(C)C)C1 ZINC000042547398 173151645 /nfs/dbraw/zinc/15/16/45/173151645.db2.gz ZKZRDLQXTZNYPI-VIFPVBQESA-N 1 0 213.325 0.195 10 0 BCAERO CN1CC[C@H]([NH2+]CC(=O)N2CCCCC2)C1 ZINC000042547623 173152138 /nfs/dbraw/zinc/15/21/38/173152138.db2.gz CXGQPXNPOIRTDE-NSHDSACASA-N 1 0 225.336 0.293 10 0 BCAERO C[N@@H+]1CC[C@H](Nc2ccc(-n3cncn3)nc2)C1 ZINC000061985484 173155255 /nfs/dbraw/zinc/15/52/55/173155255.db2.gz VNJQZIVROXMHQX-NSHDSACASA-N 1 0 244.302 0.778 10 0 BCAERO CN1CC[C@]([NH2+]C2CCCCC2)(C(N)=O)C1 ZINC000061991096 173163140 /nfs/dbraw/zinc/16/31/40/173163140.db2.gz HEBCRSNFKCZCFR-GFCCVEGCSA-N 1 0 225.336 0.468 10 0 BCAERO CN([C@@H]1CCSC1)[C@@]1(C[NH3+])CCN(C)C1 ZINC000061990223 173163472 /nfs/dbraw/zinc/16/34/72/173163472.db2.gz CMNRSZFJEDMQAG-GHMZBOCLSA-N 1 0 229.393 0.457 10 0 BCAERO C[N@@H+]1CC[C@](Nc2ccccc2)(C(N)=O)C1 ZINC000061990970 173163628 /nfs/dbraw/zinc/16/36/28/173163628.db2.gz KWSFKNJEVYRTGU-GFCCVEGCSA-N 1 0 219.288 0.658 10 0 BCAERO CN1CCc2sc([C@H](O)C[NH3+])nc2C1 ZINC000076166586 173177396 /nfs/dbraw/zinc/17/73/96/173177396.db2.gz HNMMKGWRNPBGMI-SSDOTTSWSA-N 1 0 213.306 0.123 10 0 BCAERO CN1C[C@@H](CC[NH3+])Oc2ncccc2C1=S ZINC000026271440 173182672 /nfs/dbraw/zinc/18/26/72/173182672.db2.gz STSZUFICUXVPMD-MRVPVSSYSA-N 1 0 237.328 0.799 10 0 BCAERO CNC(=[NH2+])N(C(N)=S)c1ccccc1 ZINC000039124861 173209212 /nfs/dbraw/zinc/20/92/12/173209212.db2.gz LMQYKGFNVLADGM-UHFFFAOYSA-N 1 0 208.290 0.891 10 0 BCAERO CNC(=O)C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000303037443 173223938 /nfs/dbraw/zinc/22/39/38/173223938.db2.gz IEWFIWRAXBSXAS-NEPJUHHUSA-N 1 0 240.347 0.748 10 0 BCAERO CNC(=O)CCNC(=O)[C@H]1CC[C@H]([NH3+])C[C@@H]1C ZINC000055140302 173258624 /nfs/dbraw/zinc/25/86/24/173258624.db2.gz DYZQBTMCTMQCHF-GUBZILKMSA-N 1 0 241.335 0.002 10 0 BCAERO CNC(=O)CC[NH2+][C@H]1CCCC[C@@H]1O ZINC000044993836 173260238 /nfs/dbraw/zinc/26/02/38/173260238.db2.gz QTEDICOMMXIZCH-IUCAKERBSA-N 1 0 200.282 0.016 10 0 BCAERO CNC(=O)CCNc1[nH+]cc(N)cc1C ZINC000052813420 173261867 /nfs/dbraw/zinc/26/18/67/173261867.db2.gz BAVMZVDCJUDFIA-UHFFFAOYSA-N 1 0 208.265 0.520 10 0 BCAERO CNC(=O)CCn1ccnc1C[NH2+]C(C)(C)C ZINC000051761771 173264846 /nfs/dbraw/zinc/26/48/46/173264846.db2.gz JLDOXYFKCIOLHV-UHFFFAOYSA-N 1 0 238.335 0.907 10 0 BCAERO CNC(=O)CN(C)C(=O)C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000055126739 173265116 /nfs/dbraw/zinc/26/51/16/173265116.db2.gz UOYBWHGFVZSSJS-UWVGGRQHSA-N 1 0 241.335 0.098 10 0 BCAERO CNC(=O)CN(C)[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000042913896 173269144 /nfs/dbraw/zinc/26/91/44/173269144.db2.gz YFCKVUDZKTVTKX-NSHDSACASA-N 1 0 239.294 0.503 10 0 BCAERO CNC(=O)CN(C)[C@@H](c1ccccc1)[C@H](C)[NH3+] ZINC000042901202 173270247 /nfs/dbraw/zinc/27/02/47/173270247.db2.gz VXLVASUWAZYZEY-GXFFZTMASA-N 1 0 235.331 0.753 10 0 BCAERO CNC(=O)CN(C)[C@H](C[NH3+])c1ccccc1C ZINC000043034692 173270471 /nfs/dbraw/zinc/27/04/71/173270471.db2.gz XKNONNZVGJXPSE-GFCCVEGCSA-N 1 0 235.331 0.673 10 0 BCAERO CNC(=O)CN(C)[C@H](C[NH3+])c1ccc(F)cc1 ZINC000042913898 173270653 /nfs/dbraw/zinc/27/06/53/173270653.db2.gz YFCKVUDZKTVTKX-LLVKDONJSA-N 1 0 239.294 0.503 10 0 BCAERO CNC(=O)C[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000151100640 173274524 /nfs/dbraw/zinc/27/45/24/173274524.db2.gz RFAGQRMYUGEJQF-NSHDSACASA-N 1 0 248.330 0.561 10 0 BCAERO CNC(=O)C[NH2+]Cc1c(C)nc2sccn12 ZINC000037253974 173276855 /nfs/dbraw/zinc/27/68/55/173276855.db2.gz IXDOLSRQRMPQRR-UHFFFAOYSA-N 1 0 238.316 0.540 10 0 BCAERO CNC(=O)C[NH2+]CCNC(=O)c1ccc(C)cc1 ZINC000037902894 173276878 /nfs/dbraw/zinc/27/68/78/173276878.db2.gz ZYZDVOHZEWCAKO-UHFFFAOYSA-N 1 0 249.314 0.060 10 0 BCAERO CNC(=O)C[NH2+]CCc1ccc(F)cc1 ZINC000020041514 173276913 /nfs/dbraw/zinc/27/69/13/173276913.db2.gz PVZFSKWRLLNGFU-UHFFFAOYSA-N 1 0 210.252 0.704 10 0 BCAERO CNC(=O)C[NH2+]Cc1ccc2c(c1)OCO2 ZINC000037207519 173277391 /nfs/dbraw/zinc/27/73/91/173277391.db2.gz WHEFDNWDFQXPAX-UHFFFAOYSA-N 1 0 222.244 0.251 10 0 BCAERO CNC(=O)CNc1cc2ccccc2c(=O)[nH]1 ZINC000037757179 173278401 /nfs/dbraw/zinc/27/84/01/173278401.db2.gz XSVCUFRUVIUBIP-UHFFFAOYSA-N 1 0 231.255 0.686 10 0 BCAERO CNC(=O)CNc1ccc(N)c2c[nH+]ccc12 ZINC000035332921 173278846 /nfs/dbraw/zinc/27/88/46/173278846.db2.gz LHKRCPQGVYNEFY-UHFFFAOYSA-N 1 0 230.271 0.975 10 0 BCAERO CNC(=O)COc1ccc(C[NH3+])cc1OC ZINC000019273668 173279182 /nfs/dbraw/zinc/27/91/82/173279182.db2.gz LDDYQIMQFHTTIK-UHFFFAOYSA-N 1 0 224.260 0.279 10 0 BCAERO CNC(=O)N(C)Cc1ccc(C[NH3+])cc1 ZINC000082640405 173284339 /nfs/dbraw/zinc/28/43/39/173284339.db2.gz HDQQTJWVRCBPIR-UHFFFAOYSA-N 1 0 207.277 0.917 10 0 BCAERO CNC(=O)NC(=O)[C@@H](C)[NH2+]Cc1cccs1 ZINC000087555751 173288327 /nfs/dbraw/zinc/28/83/27/173288327.db2.gz DCXRPEOQYDHHTD-SSDOTTSWSA-N 1 0 241.316 0.682 10 0 BCAERO CNC(=O)NC(=O)[C@H](C)[NH2+]CC1CCCC1 ZINC000037251948 173288684 /nfs/dbraw/zinc/28/86/84/173288684.db2.gz AQPLGJFCWWOVOL-QMMMGPOBSA-N 1 0 227.308 0.610 10 0 BCAERO CNC(=O)N[C@](C)(C[NH3+])c1ccccc1 ZINC000082640387 173292690 /nfs/dbraw/zinc/29/26/90/173292690.db2.gz OTHBSQWXPMJLHJ-LLVKDONJSA-N 1 0 207.277 0.790 10 0 BCAERO CNC(=O)[C@@H](C)N1CC[NH2+]Cc2ccccc21 ZINC000062818971 173294460 /nfs/dbraw/zinc/29/44/60/173294460.db2.gz RAEGDWNKWSKDFX-SNVBAGLBSA-N 1 0 233.315 0.731 10 0 BCAERO CNC(=O)[C@@H](C)[NH2+]C1(CO)CCC(C)CC1 ZINC000053118709 173294815 /nfs/dbraw/zinc/29/48/15/173294815.db2.gz KIRPASNHAPLEAG-SQLBVSGCSA-N 1 0 228.336 0.652 10 0 BCAERO CNC(=O)[C@@H](C)[NH2+]C[C@H](O)COC1CCCC1 ZINC000042562526 173294949 /nfs/dbraw/zinc/29/49/49/173294949.db2.gz YUBKHXOAADNWRT-ZJUUUORDSA-N 1 0 244.335 0.031 10 0 BCAERO CNC(=O)[C@@H](C)[NH2+]Cc1cnc2cc(C)nn2c1 ZINC000070166248 173295026 /nfs/dbraw/zinc/29/50/26/173295026.db2.gz LANCUXBVMZABCQ-SECBINFHSA-N 1 0 247.302 0.262 10 0 BCAERO CNC(=O)[C@@H](C)NC1CC[NH+](C(C)C)CC1 ZINC000042220906 173295147 /nfs/dbraw/zinc/29/51/47/173295147.db2.gz WZYFQQIFCCQMLS-SNVBAGLBSA-N 1 0 227.352 0.583 10 0 BCAERO CNC(=O)[C@@H](C)[NH2+][C@H](C)C(=O)NCCC(C)C ZINC000042563006 173295220 /nfs/dbraw/zinc/29/52/20/173295220.db2.gz RFSZWQQAPGFBSN-NXEZZACHSA-N 1 0 243.351 0.261 10 0 BCAERO CNC(=O)[C@@H](C)[NH2+]C[C@@H](O)c1ccccc1F ZINC000042562630 173295258 /nfs/dbraw/zinc/29/52/58/173295258.db2.gz XLJHKFFYAYBYCX-LDYMZIIASA-N 1 0 240.278 0.583 10 0 BCAERO CNC(=O)[C@@H](C)Oc1ccccc1C[NH3+] ZINC000020386425 173296193 /nfs/dbraw/zinc/29/61/93/173296193.db2.gz DNGUSTAGPPLHCP-MRVPVSSYSA-N 1 0 208.261 0.659 10 0 BCAERO CNC(=O)[C@@H](C[NH3+])Cc1cc(F)c(F)c(F)c1 ZINC000062706119 173296259 /nfs/dbraw/zinc/29/62/59/173296259.db2.gz VBTWGHRSYRHRKQ-SSDOTTSWSA-N 1 0 246.232 0.967 10 0 BCAERO CNC(=O)[C@@H]1CCCN1c1ncccc1C[NH3+] ZINC000042390731 173298819 /nfs/dbraw/zinc/29/88/19/173298819.db2.gz WOXMYKXGTGGTSG-JTQLQIEISA-N 1 0 234.303 0.255 10 0 BCAERO CNC(=O)[C@@H]1CCCN1CC[C@@H]1CCCC[NH2+]1 ZINC000042394246 173298976 /nfs/dbraw/zinc/29/89/76/173298976.db2.gz UNIKUAJGELUIOZ-RYUDHWBXSA-N 1 0 239.363 0.729 10 0 BCAERO CNC(=O)[C@H](C)N(C)Cc1ccccc1C[NH3+] ZINC000037757709 173301603 /nfs/dbraw/zinc/30/16/03/173301603.db2.gz UYSGTQOKEFPRIE-JTQLQIEISA-N 1 0 235.331 0.712 10 0 BCAERO CNC(=O)[C@H](C)N(C)c1cccc(C[NH3+])c1 ZINC000061951418 173301683 /nfs/dbraw/zinc/30/16/83/173301683.db2.gz QCOLZQIKXHXQOA-VIFPVBQESA-N 1 0 221.304 0.716 10 0 BCAERO CNC(=O)[C@H](C)[NH2+]CC(=O)N1CCCCCC1 ZINC000042569998 173302712 /nfs/dbraw/zinc/30/27/12/173302712.db2.gz ZJHZTEZKNGRLQJ-JTQLQIEISA-N 1 0 241.335 0.113 10 0 BCAERO CNC(=O)[C@H](C)[NH2+][C@@H](C)C(=O)N1CCCCC1 ZINC000042563055 173303304 /nfs/dbraw/zinc/30/33/04/173303304.db2.gz VGLOJLAJLSSRFO-UWVGGRQHSA-N 1 0 241.335 0.112 10 0 BCAERO CNC(=O)[C@H](C)Oc1cccc(F)c1C[NH3+] ZINC000036307337 173304362 /nfs/dbraw/zinc/30/43/62/173304362.db2.gz MZJLSNNPGJPRJB-ZETCQYMHSA-N 1 0 226.251 0.798 10 0 BCAERO CNC(=O)[C@H](CC(C)C)NC1CC[NH2+]CC1 ZINC000038041422 173304699 /nfs/dbraw/zinc/30/46/99/173304699.db2.gz VNIBVMKZONJRPO-NSHDSACASA-N 1 0 227.352 0.489 10 0 BCAERO CNC(=O)[C@H]1CCCC[N@@H+]1C[C@H](C)C(=O)OC ZINC000042423111 173305984 /nfs/dbraw/zinc/30/59/84/173305984.db2.gz XYFVRTGKDQSTDC-VHSXEESVSA-N 1 0 242.319 0.396 10 0 BCAERO CNC(=O)[C@H]1CCCN1C(=O)[C@@H]([NH3+])CC(C)C ZINC000037826689 173306636 /nfs/dbraw/zinc/30/66/36/173306636.db2.gz MXLFUTCFGWKVNE-VHSXEESVSA-N 1 0 241.335 0.097 10 0 BCAERO CNC(=O)[C@H]1CCCN1[C@@H](C[NH3+])C(C)(C)C ZINC000043294001 173307631 /nfs/dbraw/zinc/30/76/31/173307631.db2.gz RPPHSGCLCOSXMO-ZJUUUORDSA-N 1 0 227.352 0.570 10 0 BCAERO CNC(=O)c1c(N)sc2c1CC[NH2+]C2 ZINC000036986517 173309166 /nfs/dbraw/zinc/30/91/66/173309166.db2.gz BMBSLDASWPRFHM-UHFFFAOYSA-N 1 0 211.290 0.336 10 0 BCAERO CNC(=O)c1cc(N[C@@H]2CC[NH2+]C2)ccn1 ZINC000052093768 173309982 /nfs/dbraw/zinc/30/99/82/173309982.db2.gz MXHAUPKYQQEPHB-SECBINFHSA-N 1 0 220.276 0.215 10 0 BCAERO CNC(=O)c1cccc(NC(=O)C[NH3+])c1C ZINC000037045907 173311616 /nfs/dbraw/zinc/31/16/16/173311616.db2.gz MATOGOUYPMEOTH-UHFFFAOYSA-N 1 0 221.260 0.252 10 0 BCAERO C[NH2+]C(C)(C)C(=O)N1CCCC[C@@H]1CO ZINC000061300508 173317896 /nfs/dbraw/zinc/31/78/96/173317896.db2.gz JEXRDXHUUFSCER-SECBINFHSA-N 1 0 214.309 0.358 10 0 BCAERO C[NH2+]C(C)(C)C(=O)N1CCCSCC1 ZINC000061318797 173317945 /nfs/dbraw/zinc/31/79/45/173317945.db2.gz KENQDACJXRGKAI-UHFFFAOYSA-N 1 0 216.350 0.950 10 0 BCAERO C[NH2+]C(C)(C)C(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000061300025 173318161 /nfs/dbraw/zinc/31/81/61/173318161.db2.gz HOXZRRWHZHMZQB-DTORHVGOSA-N 1 0 214.309 0.620 10 0 BCAERO C[NH2+]C(C)(C)C(=O)N1C[C@H](C)OC[C@H]1C ZINC000061300468 173318188 /nfs/dbraw/zinc/31/81/88/173318188.db2.gz OGJAWKRMFLMXIC-BDAKNGLRSA-N 1 0 214.309 0.620 10 0 BCAERO C[NH2+]C(C)(C)C(=O)NC[C@H]1CCCCO1 ZINC000061318955 173318379 /nfs/dbraw/zinc/31/83/79/173318379.db2.gz QDHLIGLICBYBOI-SECBINFHSA-N 1 0 214.309 0.670 10 0 BCAERO C[NH2+]C(C)(C)C(=O)N[C@@H]1CCC[C@@H](O)C1 ZINC000061300596 173318566 /nfs/dbraw/zinc/31/85/66/173318566.db2.gz RLUVNRKXBXNZFH-RKDXNWHRSA-N 1 0 214.309 0.404 10 0 BCAERO C[NH2+]C(C)(C)C(=O)N[C@H](C)c1cnn(C)c1C ZINC000061300601 173318599 /nfs/dbraw/zinc/31/85/99/173318599.db2.gz OCIFKNBANQFFJS-MRVPVSSYSA-N 1 0 238.335 0.904 10 0 BCAERO C[NH2+]C(C)(C)C(=O)N1C[C@@H](C)OC[C@@H]1C ZINC000061300469 173318676 /nfs/dbraw/zinc/31/86/76/173318676.db2.gz OGJAWKRMFLMXIC-DTWKUNHWSA-N 1 0 214.309 0.620 10 0 BCAERO C[NH2+]C(C)(C)C(=O)Nc1nncs1 ZINC000061300298 173318941 /nfs/dbraw/zinc/31/89/41/173318941.db2.gz JZLJDFVUCDCLTM-UHFFFAOYSA-N 1 0 200.267 0.475 10 0 BCAERO C[NH2+]C(C)(C)C(=O)Nc1sccc1C(N)=O ZINC000061318742 173319760 /nfs/dbraw/zinc/31/97/60/173319760.db2.gz SKJUBLKQUOGTRS-UHFFFAOYSA-N 1 0 241.316 0.784 10 0 BCAERO C[NH2+]C1CCN(C[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000050602383 173322635 /nfs/dbraw/zinc/32/26/35/173322635.db2.gz GTLFTEGYINLTLY-JTQLQIEISA-N 1 0 246.376 0.105 10 0 BCAERO C[NH2+]C1CCN(C(=O)[C@H]2CCOC2)CC1 ZINC000040928963 173322931 /nfs/dbraw/zinc/32/29/31/173322931.db2.gz QLDBIEKPSSANQO-VIFPVBQESA-N 1 0 212.293 0.233 10 0 BCAERO C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(C)(C)C(N)=O ZINC000054602636 173324416 /nfs/dbraw/zinc/32/44/16/173324416.db2.gz VTZFRAGRNIGPSL-FGWVZKOKSA-N 1 0 239.363 0.855 10 0 BCAERO C[NH2+]CC(=O)N(C)Cc1ccc(O)cc1 ZINC000037823222 173325592 /nfs/dbraw/zinc/32/55/92/173325592.db2.gz UVNUVWWEWNXNBG-UHFFFAOYSA-N 1 0 208.261 0.570 10 0 BCAERO C[NH2+]CC(=O)N1CCN(c2nccs2)CC1 ZINC000019472311 173326240 /nfs/dbraw/zinc/32/62/40/173326240.db2.gz ONDGFDIPAZIYHO-UHFFFAOYSA-N 1 0 240.332 0.011 10 0 BCAERO C[NH2+]CC(=O)NC[C@H](CO)c1ccccc1 ZINC000193132243 173330186 /nfs/dbraw/zinc/33/01/86/173330186.db2.gz FJSVAYJXZRJGRT-LLVKDONJSA-N 1 0 222.288 0.098 10 0 BCAERO C[NH2+]CC(=O)Nc1cc(C)cnc1OC ZINC000193131739 173332363 /nfs/dbraw/zinc/33/23/63/173332363.db2.gz ISFWMQYQWVZERX-UHFFFAOYSA-N 1 0 209.249 0.557 10 0 BCAERO C[NH2+]CC(=O)Nc1cccc(-c2n[nH]c(C)n2)c1 ZINC000037769067 173333779 /nfs/dbraw/zinc/33/37/79/173333779.db2.gz LZBUHLLKSWIHLS-UHFFFAOYSA-N 1 0 245.286 0.938 10 0 BCAERO C[NH2+]CC(=O)Nc1cccc(C(N)=O)c1C ZINC000037023665 173333823 /nfs/dbraw/zinc/33/38/23/173333823.db2.gz BKHKCCKHQVUYNG-UHFFFAOYSA-N 1 0 221.260 0.252 10 0 BCAERO C[NH2+]CC1(CN2CCOCC2)CCOCC1 ZINC000052180671 173338121 /nfs/dbraw/zinc/33/81/21/173338121.db2.gz OFKOIORIWBPXLF-UHFFFAOYSA-N 1 0 228.336 0.335 10 0 BCAERO C[NH2+]CC1=CC2=CC=C[C@H]3CCN(C1=O)[C@@H]23 ZINC000039287546 173338659 /nfs/dbraw/zinc/33/86/59/173338659.db2.gz AVDHPJYRKBVCMZ-JOYOIKCWSA-N 1 0 216.284 0.859 10 0 BCAERO C[NH2+]CC1=CC2=CC=C[C@@H]3CCN(C1=O)[C@H]23 ZINC000039287545 173338690 /nfs/dbraw/zinc/33/86/90/173338690.db2.gz AVDHPJYRKBVCMZ-SKDRFNHKSA-N 1 0 216.284 0.859 10 0 BCAERO C[NH2+]CC1CCN(c2cccnn2)CC1 ZINC000053664149 173338810 /nfs/dbraw/zinc/33/88/10/173338810.db2.gz VZSNFBYFTPTZHU-UHFFFAOYSA-N 1 0 206.293 0.912 10 0 BCAERO C[NH2+]CCC(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000043599561 173340246 /nfs/dbraw/zinc/34/02/46/173340246.db2.gz TVRJIEJNTXTHEC-RKDXNWHRSA-N 1 0 200.282 0.232 10 0 BCAERO C[NH2+]CCCN1C(=O)CC(C)(C)CC1=O ZINC000061824958 173347168 /nfs/dbraw/zinc/34/71/68/173347168.db2.gz SLICPQGDVKTPMK-UHFFFAOYSA-N 1 0 212.293 0.771 10 0 BCAERO C[NH2+]CCCN1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000104343529 173347482 /nfs/dbraw/zinc/34/74/82/173347482.db2.gz ORZOLYBKOYWOHN-NXEZZACHSA-N 1 0 224.304 0.771 10 0 BCAERO C[NH2+]CCN1C(=O)c2ccc(C)cc2C1=O ZINC000054244917 173354198 /nfs/dbraw/zinc/35/41/98/173354198.db2.gz MGMBINJMQXLARR-UHFFFAOYSA-N 1 0 218.256 0.810 10 0 BCAERO C[NH2+]CCN1C(=O)C[C@H](c2ccccc2)C1=O ZINC000103656162 173354406 /nfs/dbraw/zinc/35/44/06/173354406.db2.gz XTSCXKWNRXVWOW-LLVKDONJSA-N 1 0 232.283 0.749 10 0 BCAERO C[NH2+]CCN1C(=O)C(=O)c2cccc(C)c21 ZINC000042410585 173354435 /nfs/dbraw/zinc/35/44/35/173354435.db2.gz BXAMHYIEBCOREI-UHFFFAOYSA-N 1 0 218.256 0.744 10 0 BCAERO C[NH2+]CCN1C(=O)Cc2ccccc2C1=O ZINC000042410355 173354639 /nfs/dbraw/zinc/35/46/39/173354639.db2.gz SYBBDBTZLBPAIF-UHFFFAOYSA-N 1 0 218.256 0.431 10 0 BCAERO C[NH2+]CCN(Cc1ccccn1)S(C)(=O)=O ZINC000076625985 173354695 /nfs/dbraw/zinc/35/46/95/173354695.db2.gz MKTXDGJFBZFBAE-UHFFFAOYSA-N 1 0 243.332 0.063 10 0 BCAERO C[NH2+]CCNCc1ccc2c(c1)OCO2 ZINC000077301767 173355980 /nfs/dbraw/zinc/35/59/80/173355980.db2.gz VJMYIBDGGURLRV-UHFFFAOYSA-N 1 0 208.261 0.724 10 0 BCAERO C[NH2+]CCOc1cc(C)cc2ncnn21 ZINC000051866862 173357813 /nfs/dbraw/zinc/35/78/13/173357813.db2.gz FEUHGDWMEXWRFY-UHFFFAOYSA-N 1 0 206.249 0.636 10 0 BCAERO C[NH2+]CCc1nc2ccccc2n1CCO ZINC000019750623 173360914 /nfs/dbraw/zinc/36/09/14/173360914.db2.gz SZFYQPFPPOCMEX-UHFFFAOYSA-N 1 0 219.288 0.791 10 0 BCAERO C[NH2+]CCc1nc2c(s1)CS(=O)(=O)CC2 ZINC000053296539 173361201 /nfs/dbraw/zinc/36/12/01/173361201.db2.gz BWGBJDJHVQEXFQ-UHFFFAOYSA-N 1 0 246.357 0.376 10 0 BCAERO C[NH2+]CCc1noc(-c2cnn(C)c2C)n1 ZINC000051850868 173361757 /nfs/dbraw/zinc/36/17/57/173361757.db2.gz GEORPHKOYKZTPV-UHFFFAOYSA-N 1 0 221.264 0.540 10 0 BCAERO C[NH2+]C[C@@H](C)Oc1cc(C)nc2ncnn21 ZINC000051867091 173365127 /nfs/dbraw/zinc/36/51/27/173365127.db2.gz UOICZXMFBLWMMR-MRVPVSSYSA-N 1 0 221.264 0.419 10 0 BCAERO C[NH2+]C[C@@H](O)COCCc1ccccc1 ZINC000034958241 173365334 /nfs/dbraw/zinc/36/53/34/173365334.db2.gz RWZKDGVHCXVUMD-GFCCVEGCSA-N 1 0 209.289 0.826 10 0 BCAERO C[NH2+]C[C@@H](O)COC[C@@H]1CCCCO1 ZINC000019864945 173365369 /nfs/dbraw/zinc/36/53/69/173365369.db2.gz LQYIMEZTBTVYKU-ZJUUUORDSA-N 1 0 203.282 0.152 10 0 BCAERO C[NH2+]C[C@@H](O)CS(=O)(=O)c1ccc(C)cc1 ZINC000019685780 173365835 /nfs/dbraw/zinc/36/58/35/173365835.db2.gz BSFKIIZWLCMPNP-SNVBAGLBSA-N 1 0 243.328 0.349 10 0 BCAERO C[NH2+]C[C@@H](O)Cc1ccc(OC)c(OC)c1 ZINC000041245642 173365892 /nfs/dbraw/zinc/36/58/92/173365892.db2.gz SVFPCXPQUIFZHU-JTQLQIEISA-N 1 0 225.288 0.827 10 0 BCAERO C[NH2+]C[C@@H](O)c1ccc(OC)cc1OC ZINC000011802986 173366240 /nfs/dbraw/zinc/36/62/40/173366240.db2.gz QVMUREVYIXZSMX-SNVBAGLBSA-N 1 0 211.261 0.957 10 0 BCAERO C[NH2+]C[C@@H]1CCCN1c1ncnc2nc[nH]c21 ZINC000053703564 173369452 /nfs/dbraw/zinc/36/94/52/173369452.db2.gz XFLAMVWFYUGPMR-QMMMGPOBSA-N 1 0 232.291 0.541 10 0 BCAERO C[NH2+]C[C@@H]1CCN(c2cc(C)nc3ncnn32)C1 ZINC000071148127 173371249 /nfs/dbraw/zinc/37/12/49/173371249.db2.gz NIGMEYAJDDEEHK-JTQLQIEISA-N 1 0 246.318 0.478 10 0 BCAERO C[NH2+]C[C@@H]1C[C@H](F)CN1Cc1cncnc1 ZINC000238853715 173372815 /nfs/dbraw/zinc/37/28/15/173372815.db2.gz KKZLKEYDXCNGEW-QWRGUYRKSA-N 1 0 224.283 0.608 10 0 BCAERO C[NH2+]C[C@@]1(CN2CCO[C@@H](C)C2)CCOC1 ZINC000051210648 173373224 /nfs/dbraw/zinc/37/32/24/173373224.db2.gz GQDMHZVBAFKFIJ-NWDGAFQWSA-N 1 0 228.336 0.333 10 0 BCAERO C[NH2+]C[C@H](O)CN1CCCCCCC1=O ZINC000019864425 173376972 /nfs/dbraw/zinc/37/69/72/173376972.db2.gz IAIQTSGUDDZAPE-JTQLQIEISA-N 1 0 214.309 0.359 10 0 BCAERO C[NH2+]C[C@H](O)CN1CCc2sccc2C1 ZINC000019863958 173376569 /nfs/dbraw/zinc/37/65/69/173376569.db2.gz SGEYTIWPOPGXNZ-JTQLQIEISA-N 1 0 226.345 0.687 10 0 BCAERO C[NH2+]C[C@H](O)COc1ccc(C)cc1OC ZINC000019864848 173376627 /nfs/dbraw/zinc/37/66/27/173376627.db2.gz IXUAVCRWDOHPSR-JTQLQIEISA-N 1 0 225.288 0.963 10 0 BCAERO C[NH2+]C[C@H](O)Cc1ccc(OC)c(OC)c1 ZINC000041245639 173376823 /nfs/dbraw/zinc/37/68/23/173376823.db2.gz SVFPCXPQUIFZHU-SNVBAGLBSA-N 1 0 225.288 0.827 10 0 BCAERO C[NH2+]C[C@H](O)c1ccccc1OCCOC ZINC000032015008 173377108 /nfs/dbraw/zinc/37/71/08/173377108.db2.gz PLICACSTMDLVHH-NSHDSACASA-N 1 0 225.288 0.965 10 0 BCAERO C[NH2+]C[C@H](O)c1cccc(NS(C)(=O)=O)c1 ZINC000095060664 173377262 /nfs/dbraw/zinc/37/72/62/173377262.db2.gz ZHOWHMXTJFZXRB-JTQLQIEISA-N 1 0 244.316 0.311 10 0 in-man BCAERO C[NH2+]C[C@H]1CCCN([C@@H]2CCS(=O)(=O)C2)C1 ZINC000040601638 173378782 /nfs/dbraw/zinc/37/87/82/173378782.db2.gz VUUWRBWUSJYFKE-GHMZBOCLSA-N 1 0 246.376 0.105 10 0 BCAERO C[NH2+]C[C@H]1CCCN(c2nccn2C)C1 ZINC000050606843 173379236 /nfs/dbraw/zinc/37/92/36/173379236.db2.gz WSYAOVMOAQCVBU-SNVBAGLBSA-N 1 0 208.309 0.856 10 0 BCAERO C[NH2+]C[C@H]1CC[C@H](Cn2nc(C)nc2C)O1 ZINC000052574471 173382503 /nfs/dbraw/zinc/38/25/03/173382503.db2.gz ODWVXHHPSRKTFM-GHMZBOCLSA-N 1 0 224.308 0.662 10 0 BCAERO C[NH2+]C[C@H]1CN(Cc2ccncc2)CCO1 ZINC000071523406 173382596 /nfs/dbraw/zinc/38/25/96/173382596.db2.gz GIZFWJHCPVRRBW-LBPRGKRZSA-N 1 0 221.304 0.502 10 0 BCAERO C[NH2+]C[C@](C)(O)c1ccc2c(c1)OCCO2 ZINC000011803620 173383578 /nfs/dbraw/zinc/38/35/78/173383578.db2.gz NUIUYQNFKFZAJZ-LBPRGKRZSA-N 1 0 223.272 0.885 10 0 BCAERO C[NH2+]Cc1c(C)nc(CS(C)(=O)=O)nc1C ZINC000054854017 173384384 /nfs/dbraw/zinc/38/43/84/173384384.db2.gz VFCBWXVVGKZTOX-UHFFFAOYSA-N 1 0 243.332 0.357 10 0 BCAERO C[NH2+]Cc1c(N(C)C[C@H](C)O)nc2ccccn21 ZINC000060392837 173385097 /nfs/dbraw/zinc/38/50/97/173385097.db2.gz UYAKQBIWPGDCAN-JTQLQIEISA-N 1 0 248.330 0.871 10 0 BCAERO C[NH2+]Cc1cc(C(=O)[O-])sc1C[NH2+]C ZINC000299805344 173386316 /nfs/dbraw/zinc/38/63/16/173386316.db2.gz JUAZBGLWYLTMLG-UHFFFAOYSA-N 1 0 214.290 0.885 10 0 BCAERO C[NH2+]Cc1cc(C)nc(-c2cnccn2)n1 ZINC000054830870 173386411 /nfs/dbraw/zinc/38/64/11/173386411.db2.gz WCPKQEFDMHPAFI-UHFFFAOYSA-N 1 0 215.260 0.961 10 0 BCAERO CNC(=O)CN(C)c1ccc(F)cc1C[NH2+]C ZINC000037271277 173386783 /nfs/dbraw/zinc/38/67/83/173386783.db2.gz YKVJNKMUAJTHEL-UHFFFAOYSA-N 1 0 239.294 0.727 10 0 BCAERO C[NH2+]Cc1ccc(O[C@@H](C)C(N)=O)c(OC)c1 ZINC000034816807 173388561 /nfs/dbraw/zinc/38/85/61/173388561.db2.gz UOSXSBGOBTVXED-QMMMGPOBSA-N 1 0 238.287 0.667 10 0 BCAERO C[NH2+]Cc1ccccc1NC(=O)[C@@H]1CNC(=O)C1 ZINC000123050090 173390081 /nfs/dbraw/zinc/39/00/81/173390081.db2.gz KNCHXZIMEZMSKV-JTQLQIEISA-N 1 0 247.298 0.481 10 0 BCAERO C[NH2+]Cc1ccccc1N1C(=O)C=CC1=O ZINC000041054404 173390101 /nfs/dbraw/zinc/39/01/01/173390101.db2.gz WIRLUIMRQBLDMO-UHFFFAOYSA-N 1 0 216.240 0.835 10 0 BCAERO C[NH2+]Cc1ccccc1N1CCCS1(=O)=O ZINC000041054406 173390314 /nfs/dbraw/zinc/39/03/14/173390314.db2.gz XSIFSROTXNQSKW-UHFFFAOYSA-N 1 0 240.328 0.946 10 0 BCAERO C[NH2+]Cc1cnn([C@H]2CCC[C@H]2O)c1C ZINC000054599554 173392873 /nfs/dbraw/zinc/39/28/73/173392873.db2.gz DLVPXCBDHXHGBI-WDEREUQCSA-N 1 0 209.293 0.997 10 0 BCAERO C[NH2+]Cc1nnnn1[C@@H]1CCC[C@H]1OC ZINC000054746555 173399130 /nfs/dbraw/zinc/39/91/30/173399130.db2.gz FDOBNEXJVAAOFU-HTQZYQBOSA-N 1 0 211.269 0.133 10 0 BCAERO C[NH2+][C@@H](C)CN1C(=O)c2ccccc2C1=O ZINC000043995891 173415060 /nfs/dbraw/zinc/41/50/60/173415060.db2.gz OQZWODNDDPNFDS-QMMMGPOBSA-N 1 0 218.256 0.891 10 0 BCAERO C[NH2+][C@@H](Cc1ncc[nH]1)[C@@H]1CCCOC1 ZINC000062232058 173426381 /nfs/dbraw/zinc/42/63/81/173426381.db2.gz KGIRYSYZAMZGLU-ZJUUUORDSA-N 1 0 209.293 0.967 10 0 BCAERO C[NH2+][C@@](C)(C(N)=O)c1ccccc1OC ZINC000037459023 173440556 /nfs/dbraw/zinc/44/05/56/173440556.db2.gz MKTWHZPGDUEEOT-LLVKDONJSA-N 1 0 208.261 0.615 10 0 BCAERO C[NH2+][C@H](C)CN(C)CC1CCOCC1 ZINC000082544572 173445986 /nfs/dbraw/zinc/44/59/86/173445986.db2.gz LCRKXYVDDOEKFF-SNVBAGLBSA-N 1 0 200.326 0.953 10 0 BCAERO C[NH2+][C@H]1CCCN([C@@H]2CCCCNC2=O)C1 ZINC000053204235 173462020 /nfs/dbraw/zinc/46/20/20/173462020.db2.gz WCWZGZWXFBTXRS-WDEREUQCSA-N 1 0 225.336 0.339 10 0 BCAERO COC(=O)C1(NC(C)C)CC[NH+](C)CC1 ZINC000037445832 173513980 /nfs/dbraw/zinc/51/39/80/173513980.db2.gz OMTFPKYLLHQLGS-UHFFFAOYSA-N 1 0 214.309 0.622 10 0 BCAERO COC(=O)CN(C)C(=O)CCC1CC[NH2+]CC1 ZINC000050947379 173572634 /nfs/dbraw/zinc/57/26/34/173572634.db2.gz AQEIQVLPHBUMRU-UHFFFAOYSA-N 1 0 242.319 0.398 10 0 BCAERO COC(=O)[C@@](C)(O)C[NH2+]C1(C(C)C)CC1 ZINC000339512992 173756188 /nfs/dbraw/zinc/75/61/88/173756188.db2.gz OOCAWSFFWOEDSA-JTQLQIEISA-N 1 0 215.293 0.689 10 0 BCAERO COC(=O)[C@H](CC[NH3+])NC(=O)OC(C)(C)C ZINC000076679059 173794690 /nfs/dbraw/zinc/79/46/90/173794690.db2.gz HLAKMKWTXHAISX-ZETCQYMHSA-N 1 0 232.280 0.402 10 0 BCAERO COC(C)(C)CNC(=O)[C@@H]1CCC[C@H]1[NH3+] ZINC000133463331 173941854 /nfs/dbraw/zinc/94/18/54/173941854.db2.gz NATDRCZVAWHLAN-RKDXNWHRSA-N 1 0 214.309 0.655 10 0 BCAERO COC(CN1C[C@H](C)[NH2+]C[C@H]1C)OC ZINC000083343858 173962093 /nfs/dbraw/zinc/96/20/93/173962093.db2.gz QZHQZKOFVKYYTC-DTWKUNHWSA-N 1 0 202.298 0.288 10 0 BCAERO COC1CCN(C(=O)n2cc[n+](C)c2)CC1 ZINC000037266716 174028106 /nfs/dbraw/zinc/02/81/06/174028106.db2.gz QTYXIFMWWJSYBK-UHFFFAOYSA-N 1 0 224.284 0.392 10 0 BCAERO COC1CC[NH+](C[C@@]2(CO)CCCOC2)CC1 ZINC000104326633 174028523 /nfs/dbraw/zinc/02/85/23/174028523.db2.gz YPIUQAWAYRPJLF-CYBMUJFWSA-N 1 0 243.347 0.886 10 0 BCAERO COC1CCN([C@H](C[NH3+])c2cnn(C)c2)CC1 ZINC000037265936 174031333 /nfs/dbraw/zinc/03/13/33/174031333.db2.gz UUZFWEBVGJQWET-GFCCVEGCSA-N 1 0 238.335 0.531 10 0 BCAERO COC1CCN(c2c(C[NH3+])c(C)nn2C)CC1 ZINC000037266691 174031651 /nfs/dbraw/zinc/03/16/51/174031651.db2.gz ZXQSOBSZJVFJAG-UHFFFAOYSA-N 1 0 238.335 0.802 10 0 BCAERO COCC(=O)N1CCC([NH2+][C@H]2CCOC2)CC1 ZINC000104058097 174039778 /nfs/dbraw/zinc/03/97/78/174039778.db2.gz IRQYVERERUMTTA-NSHDSACASA-N 1 0 242.319 0.002 10 0 BCAERO COCC(=O)N1CCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000048631642 174042376 /nfs/dbraw/zinc/04/23/76/174042376.db2.gz DZQUSUOYOOZWJH-QWRGUYRKSA-N 1 0 226.320 0.623 10 0 BCAERO COCCC(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000053731799 174128898 /nfs/dbraw/zinc/12/88/98/174128898.db2.gz IDRWAPBDGONEPL-ULKQDVFKSA-N 1 0 212.293 0.422 10 0 BCAERO COCCCC[N@@H+]1C[C@@H](OC)C[C@@H]1CO ZINC000308836568 174194637 /nfs/dbraw/zinc/19/46/37/174194637.db2.gz LPFATVRRMFDTFC-MNOVXSKESA-N 1 0 217.309 0.495 10 0 BCAERO COCCC[N@@H+]1C[C@H](OC)C[C@H]1CO ZINC000308594256 174235581 /nfs/dbraw/zinc/23/55/81/174235581.db2.gz XNXLOVUEOLDOKU-VHSXEESVSA-N 1 0 203.282 0.105 10 0 BCAERO COCCCNC(=O)Cc1ccc(C[NH3+])cc1 ZINC000083363610 174239698 /nfs/dbraw/zinc/23/96/98/174239698.db2.gz AATRATXDZHVPDC-UHFFFAOYSA-N 1 0 236.315 0.841 10 0 BCAERO COCCCNC(=O)[C@H](C)[NH2+]C[C@H]1CCCO1 ZINC000034938637 174244119 /nfs/dbraw/zinc/24/41/19/174244119.db2.gz SOKQXOWTPLHGFT-WDEREUQCSA-N 1 0 244.335 0.296 10 0 BCAERO COCCCNC(=O)[C@H](C)[NH2+][C@@H](C)COC ZINC000034938791 174244328 /nfs/dbraw/zinc/24/43/28/174244328.db2.gz VIWGMEBBSGNVDF-UWVGGRQHSA-N 1 0 232.324 0.152 10 0 BCAERO COCCCNC(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000055086837 174244722 /nfs/dbraw/zinc/24/47/22/174244722.db2.gz HGBDUHITRHSLRY-VHSXEESVSA-N 1 0 214.309 0.657 10 0 BCAERO COCCC[NH2+]Cc1c(C)nn(C)c1OC ZINC000135054735 174246750 /nfs/dbraw/zinc/24/67/50/174246750.db2.gz FCNSPXCARZXNTP-UHFFFAOYSA-N 1 0 227.308 0.863 10 0 BCAERO COCCCn1c(CC[NH3+])nc2cccnc21 ZINC000098125899 174266546 /nfs/dbraw/zinc/26/65/46/174266546.db2.gz SUBRTCIXEIFGBH-UHFFFAOYSA-N 1 0 234.303 0.969 10 0 BCAERO COCCN(C)C(=O)[C@H]1CCC[C@H](C)[NH2+]1 ZINC000042460178 174273283 /nfs/dbraw/zinc/27/32/83/174273283.db2.gz ZDRRZRIPQNVOCV-VHSXEESVSA-N 1 0 214.309 0.622 10 0 BCAERO COCCN(C)C(=O)[C@H]1[NH2+]CCC[C@H]1C ZINC000051793450 174273534 /nfs/dbraw/zinc/27/35/34/174273534.db2.gz BTEREJQEODLBAS-ZJUUUORDSA-N 1 0 214.309 0.479 10 0 BCAERO COCCN(C)CC[NH2+][C@@H](C)C(=O)NC(C)C ZINC000061378960 174277223 /nfs/dbraw/zinc/27/72/23/174277223.db2.gz ALAKAFXXONWPEV-NSHDSACASA-N 1 0 245.367 0.067 10 0 BCAERO COCCN(C)C[C@]1(C[NH2+]C2CC2)CCOC1 ZINC000051258875 174281435 /nfs/dbraw/zinc/28/14/35/174281435.db2.gz GMRMATPHOJNFFV-CYBMUJFWSA-N 1 0 242.363 0.723 10 0 BCAERO COCCN(Cc1ccc(F)cc1)C(=O)C[NH3+] ZINC000032090370 174299878 /nfs/dbraw/zinc/29/98/78/174299878.db2.gz WPTGTBKYPGNJJT-UHFFFAOYSA-N 1 0 240.278 0.759 10 0 BCAERO COCCN([C@@H](C)C1CC1)[C@]1(C[NH3+])CCOC1 ZINC000104072115 174302442 /nfs/dbraw/zinc/30/24/42/174302442.db2.gz YHYHHQIABWICJP-AAEUAGOBSA-N 1 0 242.363 0.851 10 0 BCAERO COCCN(c1cc(C(N)=[NH2+])ccn1)C1CC1 ZINC000042518429 174302859 /nfs/dbraw/zinc/30/28/59/174302859.db2.gz SAEUNNNNINZRCC-UHFFFAOYSA-N 1 0 234.303 0.981 10 0 BCAERO COCCN1CCCN(CCC[NH3+])C1=O ZINC000077307431 174307266 /nfs/dbraw/zinc/30/72/66/174307266.db2.gz JLERSJJBOLRNAU-UHFFFAOYSA-N 1 0 215.297 0.109 10 0 BCAERO COCCN1CC[NH2+]C[C@@H]1CC(C)C ZINC000062568721 174311972 /nfs/dbraw/zinc/31/19/72/174311972.db2.gz RAZMFEHGLKMCNS-NSHDSACASA-N 1 0 200.326 0.953 10 0 BCAERO COCCN1C[C@H](C[NH2+]C2CC2)CC1=O ZINC000077305034 174318846 /nfs/dbraw/zinc/31/88/46/174318846.db2.gz ZZGXAAZEBZKFBQ-VIFPVBQESA-N 1 0 212.293 0.233 10 0 BCAERO COCCNC(=O)COc1ccccc1C[NH3+] ZINC000022213656 174321767 /nfs/dbraw/zinc/32/17/67/174321767.db2.gz FEBQFPMXVLLXFW-UHFFFAOYSA-N 1 0 238.287 0.287 10 0 BCAERO COCCNC(=O)Cc1ccc(C[NH3+])cc1 ZINC000082473359 174322039 /nfs/dbraw/zinc/32/20/39/174322039.db2.gz MJGIBZHRFABYDB-UHFFFAOYSA-N 1 0 222.288 0.450 10 0 BCAERO COCCNC(=O)[C@@H](C)[NH2+]CC(C)C ZINC000034937579 174325648 /nfs/dbraw/zinc/32/56/48/174325648.db2.gz YJPYBDORYCNOMC-SECBINFHSA-N 1 0 202.298 0.383 10 0 BCAERO COCCNC(=O)[C@@H](C)[NH2+]C1(CO)CCCC1 ZINC000053069893 174325725 /nfs/dbraw/zinc/32/57/25/174325725.db2.gz ROEOBIJTCZXVTQ-SNVBAGLBSA-N 1 0 244.335 0.032 10 0 BCAERO COCCNC(=O)[C@H](C)O[C@H]1CC[C@H](C)[NH2+]C1 ZINC000050211610 174326458 /nfs/dbraw/zinc/32/64/58/174326458.db2.gz FSFFOBYILNBMJW-DCAQKATOSA-N 1 0 244.335 0.295 10 0 BCAERO COCCNC(=O)[C@@H]1CCCC[C@H]1[NH3+] ZINC000055085929 174326991 /nfs/dbraw/zinc/32/69/91/174326991.db2.gz BDGYLKHEZOXQTI-RKDXNWHRSA-N 1 0 200.282 0.267 10 0 BCAERO COCC[NH2+]C[C@@H](O)c1ccc2c(c1)OCO2 ZINC000033466585 174334605 /nfs/dbraw/zinc/33/46/05/174334605.db2.gz YSUKZEIMIPZLLG-SNVBAGLBSA-N 1 0 239.271 0.685 10 0 BCAERO COCC[NH2+]C[C@H](O)c1cccc(OC)c1 ZINC000032014962 174334793 /nfs/dbraw/zinc/33/47/93/174334793.db2.gz WUFBSWJXUUQTQV-LBPRGKRZSA-N 1 0 225.288 0.965 10 0 BCAERO COCC[NH2+]C[C@@H](O)c1ccccc1OC ZINC000032014959 174334825 /nfs/dbraw/zinc/33/48/25/174334825.db2.gz KKJGRLONLKNAQT-LLVKDONJSA-N 1 0 225.288 0.965 10 0 BCAERO COCC[NH2+]C[C@@H](O)c1cccc(OC)c1 ZINC000032014961 174335120 /nfs/dbraw/zinc/33/51/20/174335120.db2.gz WUFBSWJXUUQTQV-GFCCVEGCSA-N 1 0 225.288 0.965 10 0 BCAERO COCC[NH2+]Cc1cnc(-c2ncccn2)nc1 ZINC000054856735 174335937 /nfs/dbraw/zinc/33/59/37/174335937.db2.gz WZVKZDDIYCROFA-UHFFFAOYSA-N 1 0 245.286 0.670 10 0 BCAERO COCC[NH2+][C@H](CO)c1ccc2c(c1)CCO2 ZINC000053292135 174339750 /nfs/dbraw/zinc/33/97/50/174339750.db2.gz XMCAEUAKLXSFCY-GFCCVEGCSA-N 1 0 237.299 0.891 10 0 BCAERO COCCNc1nc[nH+]c(NN(C)C)c1N ZINC000040759998 174342618 /nfs/dbraw/zinc/34/26/18/174342618.db2.gz ZRFAELOZXJOQFZ-UHFFFAOYSA-N 1 0 226.284 0.006 10 0 BCAERO COCCOC(=O)NC1CC[NH2+]CC1 ZINC000034626961 174343919 /nfs/dbraw/zinc/34/39/19/174343919.db2.gz SFBZFUAUXKERGN-UHFFFAOYSA-N 1 0 202.254 0.111 10 0 BCAERO COCCOCC[NH2+]Cc1cnn(C)c1C ZINC000086552029 174358230 /nfs/dbraw/zinc/35/82/30/174358230.db2.gz LMZYDSVICDSOEC-UHFFFAOYSA-N 1 0 227.308 0.481 10 0 BCAERO COCCOCCOC[C@@H]1CCCC[NH2+]1 ZINC000033359027 174359959 /nfs/dbraw/zinc/35/99/59/174359959.db2.gz LFEYFGZUGNPJPA-NSHDSACASA-N 1 0 217.309 0.808 10 0 BCAERO COCCc1ccc(OC[C@H](O)C[NH3+])cc1 ZINC000034217736 174422491 /nfs/dbraw/zinc/42/24/91/174422491.db2.gz XJWXVDJGNOHFLR-LLVKDONJSA-N 1 0 225.288 0.574 10 0 in-vitro BCAERO COC[C@H](C)N(C)C(=O)C1(C)CC[NH2+]CC1 ZINC000062840711 174534969 /nfs/dbraw/zinc/53/49/69/174534969.db2.gz QPEXUIOQYFJNPZ-JTQLQIEISA-N 1 0 228.336 0.869 10 0 BCAERO COCc1ccccc1CNC(=O)C1C[NH2+]C1 ZINC000091408566 174633807 /nfs/dbraw/zinc/63/38/07/174633807.db2.gz FSZJOFYJXSQWPB-UHFFFAOYSA-N 1 0 234.299 0.669 10 0 BCAERO CO[C@@H]1C[C@H](CO)[N@H+](C[C@H](O)C(C)(C)C)C1 ZINC000309785336 174776605 /nfs/dbraw/zinc/77/66/05/174776605.db2.gz SKDNCGHJTFWXTI-MXWKQRLJSA-N 1 0 231.336 0.475 10 0 BCAERO CO[C@H]1C[NH2+]C[C@@H]1NC(=O)CC1CCCC1 ZINC000037865199 174899105 /nfs/dbraw/zinc/89/91/05/174899105.db2.gz YMQKJWOWCDWHEK-QWRGUYRKSA-N 1 0 226.320 0.670 10 0 BCAERO CO[C@H]1C[NH2+][C@@H](c2nncn2C(C)C)C1 ZINC000054498230 174899430 /nfs/dbraw/zinc/89/94/30/174899430.db2.gz WLQRUZKEOBTJLG-RKDXNWHRSA-N 1 0 210.281 0.908 10 0 BCAERO CO[C@H]1C[NH2+]C[C@H]1Nc1ccc(C)nn1 ZINC000041045202 174899637 /nfs/dbraw/zinc/89/96/37/174899637.db2.gz ANGYVVKMWRMTRP-BDAKNGLRSA-N 1 0 208.265 0.184 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)NC[C@@H](O)C(C)(C)C ZINC000324559473 487629182 /nfs/dbraw/zinc/62/91/82/487629182.db2.gz YESHVHVTCBIJKO-NXEZZACHSA-N 1 0 230.352 0.883 10 0 BCAERO COc1c(CN2CC[NH2+][C@@H](C)C2)c(C)nn1C ZINC000092455023 174928043 /nfs/dbraw/zinc/92/80/43/174928043.db2.gz MPQFIHMKTVDRQL-VIFPVBQESA-N 1 0 238.335 0.531 10 0 BCAERO COc1cc(CN2C[C@H]([NH3+])CC2=O)ccn1 ZINC000062073946 174982372 /nfs/dbraw/zinc/98/23/72/174982372.db2.gz HRFBXCBZPULTDF-SECBINFHSA-N 1 0 221.260 0.150 10 0 BCAERO COc1cc(OC)c([C@@H](C[NH3+])CO)c(OC)c1 ZINC000096890807 175008202 /nfs/dbraw/zinc/00/82/02/175008202.db2.gz YBBYHFFZGWCNPD-QMMMGPOBSA-N 1 0 241.287 0.747 10 0 BCAERO COc1cc(OC)nc(NC[C@@H](C)C[NH3+])n1 ZINC000168488038 175011988 /nfs/dbraw/zinc/01/19/88/175011988.db2.gz DQUVDNRMNDUUAM-ZETCQYMHSA-N 1 0 226.280 0.501 10 0 BCAERO COc1cc([C@@H](C)[NH2+]CC(N)=O)ccc1O ZINC000021957932 175013388 /nfs/dbraw/zinc/01/33/88/175013388.db2.gz MFHFBGMKCNNZPA-SSDOTTSWSA-N 1 0 224.260 0.537 10 0 BCAERO COc1ccc(-n2nnnc2[C@@H](C)[NH3+])cc1 ZINC000062493963 175045611 /nfs/dbraw/zinc/04/56/11/175045611.db2.gz QRHFIQUGTAKOES-SSDOTTSWSA-N 1 0 219.248 0.691 10 0 BCAERO COc1ccc(-n2nncc2C[NH3+])cc1OC ZINC000062261025 175046014 /nfs/dbraw/zinc/04/60/14/175046014.db2.gz ULRSBCVTHQUREP-UHFFFAOYSA-N 1 0 234.259 0.743 10 0 BCAERO COc1ccc(C(=O)N2CCC[NH2+]CC2)c(N)c1 ZINC000082697740 175055919 /nfs/dbraw/zinc/05/59/19/175055919.db2.gz LBHUFCNKVQDCAA-UHFFFAOYSA-N 1 0 249.314 0.713 10 0 BCAERO COc1ccc(C(=O)NCC[NH+](C)C)c(N)c1 ZINC000082697466 175060014 /nfs/dbraw/zinc/06/00/14/175060014.db2.gz HPVTXYVXEYYVTB-UHFFFAOYSA-N 1 0 237.303 0.569 10 0 BCAERO COc1ccc(C(=O)N[C@@H]2C[C@@H]2[NH3+])cc1F ZINC000061669251 175062950 /nfs/dbraw/zinc/06/29/50/175062950.db2.gz MRRVYIQPCRMUID-DTWKUNHWSA-N 1 0 224.235 0.664 10 0 BCAERO COc1ccc(C(=O)N[C@H]2C[C@H]2[NH3+])c(O)c1 ZINC000036234766 175063717 /nfs/dbraw/zinc/06/37/17/175063717.db2.gz DACQNWXJOHMPHF-BDAKNGLRSA-N 1 0 222.244 0.230 10 0 BCAERO COc1ccc(C)cc1C(=O)N[C@@H]1C[C@@H]1[NH3+] ZINC000052943790 175073729 /nfs/dbraw/zinc/07/37/29/175073729.db2.gz YRJNZHCSWGZDOH-VHSXEESVSA-N 1 0 220.272 0.833 10 0 BCAERO COc1ccc(C2(C[NH3+])OCCO2)cc1 ZINC000039309039 175084428 /nfs/dbraw/zinc/08/44/28/175084428.db2.gz DDSWCDPYKYPBBQ-UHFFFAOYSA-N 1 0 209.245 0.854 10 0 BCAERO COc1ccc(CC[C@@H]([NH3+])C(N)=O)cc1 ZINC000083827337 175092702 /nfs/dbraw/zinc/09/27/02/175092702.db2.gz IANSEODFGDBLDE-SNVBAGLBSA-N 1 0 208.261 0.440 10 0 BCAERO COc1ccc(CNC(=O)C2C[NH2+]C2)cc1 ZINC000084408192 175104341 /nfs/dbraw/zinc/10/43/41/175104341.db2.gz KOXAPFYMDCJVNI-UHFFFAOYSA-N 1 0 220.272 0.531 10 0 BCAERO COc1ccc(CNS(=O)(=O)CC[NH3+])cc1 ZINC000011584593 175108606 /nfs/dbraw/zinc/10/86/06/175108606.db2.gz KRTKQTMKGGLRGP-UHFFFAOYSA-N 1 0 244.316 0.073 10 0 BCAERO COc1ccc(COC(=O)NCC[NH3+])cc1 ZINC000034551814 175113432 /nfs/dbraw/zinc/11/34/32/175113432.db2.gz WYRYVABMDMIKFR-UHFFFAOYSA-N 1 0 224.260 0.880 10 0 BCAERO COc1ccc(CS(=O)(=O)CC[NH3+])cc1F ZINC000057956172 175114441 /nfs/dbraw/zinc/11/44/41/175114441.db2.gz JAWJKXKSEGCBLU-UHFFFAOYSA-N 1 0 247.291 0.708 10 0 BCAERO COc1ccc(C[C@@H]([NH3+])C(N)=O)cc1OC ZINC000034235460 175115669 /nfs/dbraw/zinc/11/56/69/175115669.db2.gz BHNKSDJNSKZZRR-MRVPVSSYSA-N 1 0 224.260 0.059 10 0 BCAERO COc1ccc(F)cc1C1(C[NH3+])OCCO1 ZINC000049820672 175129387 /nfs/dbraw/zinc/12/93/87/175129387.db2.gz JFXPWHRWQVNAAR-UHFFFAOYSA-N 1 0 227.235 0.993 10 0 BCAERO COc1ccc(F)cc1Cn1cc(C[NH3+])nn1 ZINC000050224723 175131358 /nfs/dbraw/zinc/13/13/58/175131358.db2.gz GQIDPOOUNUSYTH-UHFFFAOYSA-N 1 0 236.250 0.933 10 0 BCAERO COc1ccc(N2C[C@@H]([NH3+])CC2=O)cc1F ZINC000035679801 175139792 /nfs/dbraw/zinc/13/97/92/175139792.db2.gz ROWWKDFUHZBYCS-ZETCQYMHSA-N 1 0 224.235 0.898 10 0 BCAERO COc1ccc(NC(=O)C[NH2+][C@@H](C)CO)cc1 ZINC000035604232 175142310 /nfs/dbraw/zinc/14/23/10/175142310.db2.gz PSSASJRMUJZSFI-VIFPVBQESA-N 1 0 238.287 0.604 10 0 BCAERO COc1ccc(NC(=O)C[NH2+]CCCO)cc1 ZINC000035101881 175142438 /nfs/dbraw/zinc/14/24/38/175142438.db2.gz HXWISMXDLBKDGK-UHFFFAOYSA-N 1 0 238.287 0.606 10 0 BCAERO COc1ccc(NC(=O)C[C@@H](C)[NH3+])cn1 ZINC000037475836 175142464 /nfs/dbraw/zinc/14/24/64/175142464.db2.gz PKRPGFCHOMXFHV-SSDOTTSWSA-N 1 0 209.249 0.766 10 0 BCAERO COc1ccc(NC(=O)COCCC[NH3+])cc1 ZINC000051865020 175142962 /nfs/dbraw/zinc/14/29/62/175142962.db2.gz AOLOMFHLUUYQHO-UHFFFAOYSA-N 1 0 238.287 0.999 10 0 BCAERO COc1ccc(NC(=O)[C@@H]2C[NH2+]CCN2)cc1 ZINC000062812304 175145815 /nfs/dbraw/zinc/14/58/15/175145815.db2.gz PQTLWGFCQGSNJD-NSHDSACASA-N 1 0 235.287 0.195 10 0 BCAERO COc1ccc(OC)c(N2CC[C@H]([NH3+])C2=O)c1 ZINC000049647335 175166521 /nfs/dbraw/zinc/16/65/21/175166521.db2.gz JMTBYHGZOXGBQD-VIFPVBQESA-N 1 0 236.271 0.768 10 0 BCAERO COc1ccc(OC)c(N2C[C@@H]([NH3+])CC2=O)c1 ZINC000020445589 175166615 /nfs/dbraw/zinc/16/66/15/175166615.db2.gz CVHPBIFUWPXWDK-QMMMGPOBSA-N 1 0 236.271 0.768 10 0 BCAERO COc1ccc(OC)c(N2C[C@H]([NH3+])C2=O)c1 ZINC000001613178 175166636 /nfs/dbraw/zinc/16/66/36/175166636.db2.gz BNJNAIHVFXLFSL-QMMMGPOBSA-N 1 0 222.244 0.378 10 0 BCAERO O[C@H]1CCCC[C@H]1C[NH2+]CC1(O)CCOCC1 ZINC000328213957 487630007 /nfs/dbraw/zinc/63/00/07/487630007.db2.gz WDQPUBYBXVQEOR-RYUDHWBXSA-N 1 0 243.347 0.669 10 0 BCAERO COc1ccc(OC)c([C@H](O)[C@H]([NH3+])CO)c1 ZINC000077340967 175169019 /nfs/dbraw/zinc/16/90/19/175169019.db2.gz XFAKMQAFJKGGKF-KOLCDFICSA-N 1 0 227.260 0.057 10 0 BCAERO COc1ccc(OC)c2c1CC[C@]2(O)C[NH3+] ZINC000019727378 175170707 /nfs/dbraw/zinc/17/07/07/175170707.db2.gz LHJUVMPAZDUVJO-LBPRGKRZSA-N 1 0 223.272 0.796 10 0 BCAERO COc1ccc(S(=O)(=O)C[C@@H](C)[NH3+])cc1 ZINC000071534119 175173937 /nfs/dbraw/zinc/17/39/37/175173937.db2.gz UUJAFPOBEZQVRN-MRVPVSSYSA-N 1 0 229.301 0.816 10 0 BCAERO COc1ccc(S(=O)(=O)[C@@H](C)C[NH3+])cc1 ZINC000011896505 175174496 /nfs/dbraw/zinc/17/44/96/175174496.db2.gz ZSGIQMVBEYCNOZ-QMMMGPOBSA-N 1 0 229.301 0.816 10 0 BCAERO COc1ccc(S(=O)(=O)N2CC([NH3+])C2)cc1 ZINC000082591629 175174526 /nfs/dbraw/zinc/17/45/26/175174526.db2.gz VCXQKILOKRUAOB-UHFFFAOYSA-N 1 0 242.300 0.027 10 0 BCAERO COc1ccc([C@@H]2C[NH2+]CCN2)c(OC)c1 ZINC000041240489 175183978 /nfs/dbraw/zinc/18/39/78/175183978.db2.gz CSYYDKFZNFCKLE-NSHDSACASA-N 1 0 222.288 0.938 10 0 BCAERO COc1ccc2c(c1)nc([C@@H]([NH3+])CO)n2C ZINC000076136204 175219637 /nfs/dbraw/zinc/21/96/37/175219637.db2.gz MCOZROJDSYEITD-QMMMGPOBSA-N 1 0 221.260 0.574 10 0 BCAERO COc1ccc2c(c1OC)CC[C@]2(O)C[NH3+] ZINC000019727374 175222092 /nfs/dbraw/zinc/22/20/92/175222092.db2.gz DXTMJYJZGMHIQS-LBPRGKRZSA-N 1 0 223.272 0.796 10 0 BCAERO COc1cccc(CNC(=O)C2CC[NH2+]CC2)n1 ZINC000237181342 175261904 /nfs/dbraw/zinc/26/19/04/175261904.db2.gz CTGBCXIZKQESIX-UHFFFAOYSA-N 1 0 249.314 0.706 10 0 BCAERO COc1cccc(OC)c1OC[C@@H]([NH3+])CO ZINC000071533111 175282900 /nfs/dbraw/zinc/28/29/00/175282900.db2.gz OKRHWEPHRFHADI-QMMMGPOBSA-N 1 0 227.260 0.402 10 0 BCAERO COc1cccc(OCC[C@@H](O)C[NH3+])c1 ZINC000019668480 175283524 /nfs/dbraw/zinc/28/35/24/175283524.db2.gz JMXDANAKMWLKCP-SECBINFHSA-N 1 0 211.261 0.784 10 0 BCAERO COc1cccc(OC[C@](C)(O)C[NH3+])c1OC ZINC000019668083 175284472 /nfs/dbraw/zinc/28/44/72/175284472.db2.gz VQEOQDHHJNMNBE-GFCCVEGCSA-N 1 0 241.287 0.792 10 0 BCAERO COc1cccc([C@@H]([NH3+])Cn2cnccc2=O)c1 ZINC000104269530 175288875 /nfs/dbraw/zinc/28/88/75/175288875.db2.gz ASZYYFPJVDSYEV-LBPRGKRZSA-N 1 0 245.282 0.952 10 0 BCAERO COc1cccc([C@@H](O)C[NH2+]C2COC2)c1 ZINC000088033582 175289207 /nfs/dbraw/zinc/28/92/07/175289207.db2.gz QKRIRMSKFOFNAA-LBPRGKRZSA-N 1 0 223.272 0.717 10 0 BCAERO COc1cccc([C@H](O)C[NH2+]CCO)c1 ZINC000071695989 175295120 /nfs/dbraw/zinc/29/51/20/175295120.db2.gz WEMPXSFGGQJEGC-LLVKDONJSA-N 1 0 211.261 0.311 10 0 BCAERO COc1cccc([C@H]2NC(=O)CC[C@H]2[NH3+])c1 ZINC000057501511 175296724 /nfs/dbraw/zinc/29/67/24/175296724.db2.gz KMYZQXQFXNJDRL-ZYHUDNBSSA-N 1 0 220.272 0.974 10 0 BCAERO COc1ccccc1-c1nc(CC[NH3+])cc(=O)[nH]1 ZINC000058055722 175310697 /nfs/dbraw/zinc/31/06/97/175310697.db2.gz WPGOBJCIGDWZCM-UHFFFAOYSA-N 1 0 245.282 0.947 10 0 BCAERO COc1ccccc1C1(C[NH3+])OCCO1 ZINC000049814467 175319846 /nfs/dbraw/zinc/31/98/46/175319846.db2.gz VDAYLXIMUVWBIQ-UHFFFAOYSA-N 1 0 209.245 0.854 10 0 BCAERO COc1ccccc1C[NH2+][C@H]1COC[C@@H]1O ZINC000037874825 175331127 /nfs/dbraw/zinc/33/11/27/175331127.db2.gz PCTRBQFJHBYYRK-QWRGUYRKSA-N 1 0 223.272 0.545 10 0 BCAERO COc1ccccc1COC(=O)NCC[NH3+] ZINC000071531576 175331940 /nfs/dbraw/zinc/33/19/40/175331940.db2.gz UPENDZJYAPIOPO-UHFFFAOYSA-N 1 0 224.260 0.880 10 0 BCAERO COc1ccccc1[C@@H]([NH3+])CN1C(=O)CCC1=O ZINC000022564051 175347277 /nfs/dbraw/zinc/34/72/77/175347277.db2.gz HYGFRAHSXZNBMJ-JTQLQIEISA-N 1 0 248.282 0.844 10 0 BCAERO COc1ccccc1[C@@H]([NH3+])Cn1cncn1 ZINC000019256815 175347895 /nfs/dbraw/zinc/34/78/95/175347895.db2.gz GBXTWLFZNAULMJ-JTQLQIEISA-N 1 0 218.260 0.987 10 0 BCAERO COc1ccccc1[C@@H]1NC(=O)CC[C@@H]1[NH3+] ZINC000057501509 175350138 /nfs/dbraw/zinc/35/01/38/175350138.db2.gz DUXPHEOMSUMWAR-CABZTGNLSA-N 1 0 220.272 0.974 10 0 BCAERO COc1ccnc(N2CCC[C@H]2C[NH3+])n1 ZINC000053663266 175362467 /nfs/dbraw/zinc/36/24/67/175362467.db2.gz REDRPRODIHJGCX-QMMMGPOBSA-N 1 0 208.265 0.413 10 0 BCAERO COc1ccnc(N2CCC[C@@H]2C[NH3+])n1 ZINC000053663262 175362764 /nfs/dbraw/zinc/36/27/64/175362764.db2.gz REDRPRODIHJGCX-MRVPVSSYSA-N 1 0 208.265 0.413 10 0 BCAERO COc1nc(NC[C@@H]2CCC[NH2+]2)nc(OC)n1 ZINC000061452244 175395496 /nfs/dbraw/zinc/39/54/96/175395496.db2.gz RUYIGBKODBOXPH-ZETCQYMHSA-N 1 0 239.279 0.053 10 0 BCAERO COc1nc(N[C@H]2CC[N@H+](C)C2)nc(OC)n1 ZINC000061451582 175396139 /nfs/dbraw/zinc/39/61/39/175396139.db2.gz XUTIUTKDKOWPPO-ZETCQYMHSA-N 1 0 239.279 0.005 10 0 BCAERO COc1nccnc1CN[C@H]1CCCC[C@H]1[NH3+] ZINC000095071627 175413331 /nfs/dbraw/zinc/41/33/31/175413331.db2.gz CYMQKCYXNGQGMT-ZJUUUORDSA-N 1 0 236.319 0.845 10 0 BCAERO CS(=O)(=O)N(CCC[NH3+])Cc1ccco1 ZINC000076615026 175426369 /nfs/dbraw/zinc/42/63/69/175426369.db2.gz IUCJMKAQGSICQZ-UHFFFAOYSA-N 1 0 232.305 0.390 10 0 BCAERO CSCC[C@@H]([NH3+])[C@H]1CCS(=O)(=O)C1 ZINC000043300149 175503159 /nfs/dbraw/zinc/50/31/59/175503159.db2.gz WJWXDQUKLKWZLJ-JGVFFNPUSA-N 1 0 223.363 0.502 10 0 BCAERO CC[N@H+](CCOCCO)C[C@@H]1CCC[C@H](O)C1 ZINC000383506505 487630761 /nfs/dbraw/zinc/63/07/61/487630761.db2.gz KJMXHVCZKZPVID-OLZOCXBDSA-N 1 0 245.363 0.868 10 0 BCAERO C[C@@H](C[NH3+])CN1C(=O)CC2(CCCC2)C1=O ZINC000054140493 175706809 /nfs/dbraw/zinc/70/68/09/175706809.db2.gz STEGTYYHGSCHCR-VIFPVBQESA-N 1 0 224.304 0.901 10 0 BCAERO C[C@@H](C[NH3+])Cc1nnnn1-c1ccccc1 ZINC000052946797 175709028 /nfs/dbraw/zinc/70/90/28/175709028.db2.gz QYQACRRZDHTMPD-SECBINFHSA-N 1 0 217.276 0.800 10 0 BCAERO C[C@@H](COc1ccc(C[NH3+])cc1)C(N)=O ZINC000037226639 175763213 /nfs/dbraw/zinc/76/32/13/175763213.db2.gz AZWWMIMLOSLWNR-QMMMGPOBSA-N 1 0 208.261 0.646 10 0 BCAERO C[C@@H]([NH3+])CC(=O)N1CCC(C(=O)N(C)C)CC1 ZINC000037810407 175803006 /nfs/dbraw/zinc/80/30/06/175803006.db2.gz HWPSXKPOFDHQLO-SECBINFHSA-N 1 0 241.335 0.051 10 0 BCAERO C[C@@H]([NH3+])CC(=O)N[C@H]1COc2ccccc21 ZINC000070069126 175803562 /nfs/dbraw/zinc/80/35/62/175803562.db2.gz IVTVIVUZQQDJIL-SCZZXKLOSA-N 1 0 220.272 0.974 10 0 BCAERO C[C@@H]([NH3+])[C@@H](N1CCNC(=O)C1)C(C)(C)C ZINC000043291471 175809692 /nfs/dbraw/zinc/80/96/92/175809692.db2.gz OPDKYKVUAQIRLZ-PSASIEDQSA-N 1 0 213.325 0.180 10 0 BCAERO C[C@@H]([NH3+])[C@H](N1CCS(=O)(=O)CC1)C(C)(C)C ZINC000043292761 175812946 /nfs/dbraw/zinc/81/29/46/175812946.db2.gz LFGCIAZRZAPQOP-ZJUUUORDSA-N 1 0 248.392 0.479 10 0 BCAERO C[C@@H]([NH3+])[C@H](c1ccncc1)N1CCOCC1 ZINC000043352879 175813955 /nfs/dbraw/zinc/81/39/55/175813955.db2.gz LVCNUPPGAMPWBY-ZYHUDNBSSA-N 1 0 221.304 0.802 10 0 BCAERO C[C@@H](NC(=O)c1cn[nH]c1)[C@H]1CCC[NH2+]C1 ZINC000050162961 175852620 /nfs/dbraw/zinc/85/26/20/175852620.db2.gz ZHADCNTZVCBGNK-BDAKNGLRSA-N 1 0 222.292 0.528 10 0 BCAERO C[C@@H]([NH2+][C@@H]1CC(=O)NC1=O)C1CCCCC1 ZINC000052336301 175911116 /nfs/dbraw/zinc/91/11/16/175911116.db2.gz GQBGVFMYWSVWHA-PSASIEDQSA-N 1 0 224.304 0.960 10 0 BCAERO C[C@@H](OC[C@@H]1CCCC[NH2+]1)C(=O)N(C)C ZINC000051815709 176002457 /nfs/dbraw/zinc/00/24/57/176002457.db2.gz LAVNEXYIYBGCSO-ZJUUUORDSA-N 1 0 214.309 0.622 10 0 BCAERO C[C@@H](OC(C)(C)C)C(=O)N1CC[NH2+]CC1 ZINC000020516113 176002575 /nfs/dbraw/zinc/00/25/75/176002575.db2.gz AWNSFPUENBNMKM-SECBINFHSA-N 1 0 214.309 0.622 10 0 BCAERO C[C@@H](OC[C@H]1CC[NH2+]C1)C(=O)N(C)C ZINC000051888143 176003353 /nfs/dbraw/zinc/00/33/53/176003353.db2.gz MEOZCGQSUIZDEQ-BDAKNGLRSA-N 1 0 200.282 0.089 10 0 BCAERO C[C@@H]([C@@H]1CCCC[NH2+]1)N1C(=O)CCC1=O ZINC000035691826 176012280 /nfs/dbraw/zinc/01/22/80/176012280.db2.gz JNFGMSRVNLRSFM-IUCAKERBSA-N 1 0 210.277 0.666 10 0 BCAERO C[C@@H](c1cccnc1)N1C[C@H]([NH3+])CC1=O ZINC000035692792 176030516 /nfs/dbraw/zinc/03/05/16/176030516.db2.gz UENUMTPMIWCVIR-WCBMZHEXSA-N 1 0 205.261 0.702 10 0 BCAERO C[C@@H](c1ccncc1)N1CC[C@H]([NH3+])C1=O ZINC000049648751 176035798 /nfs/dbraw/zinc/03/57/98/176035798.db2.gz JLIQAMNEDJRNEL-WPRPVWTQSA-N 1 0 205.261 0.702 10 0 BCAERO C[C@@H]1CC(=O)N(C[C@@H]2CCCC[NH2+]2)C1=O ZINC000038051910 176048155 /nfs/dbraw/zinc/04/81/55/176048155.db2.gz DCBOANCCPBRFAZ-BDAKNGLRSA-N 1 0 210.277 0.524 10 0 BCAERO C[C@@H]1CC(=O)N(CCC[C@H]2CCC[NH2+]2)C1=O ZINC000105208627 176048226 /nfs/dbraw/zinc/04/82/26/176048226.db2.gz DVDYPJPWUCBOJH-NXEZZACHSA-N 1 0 224.304 0.914 10 0 BCAERO C[C@@H]1CC(=O)N(CC[NH2+]C(C)(C)C)C1=O ZINC000042410502 176048393 /nfs/dbraw/zinc/04/83/93/176048393.db2.gz XJMHZMJCLPIFSA-MRVPVSSYSA-N 1 0 212.293 0.770 10 0 BCAERO C[C@@H]1CC(=O)N(CC[C@H]2CCCC[NH2+]2)C1=O ZINC000038051921 176048717 /nfs/dbraw/zinc/04/87/17/176048717.db2.gz BFBTYHUSZHKCQI-NXEZZACHSA-N 1 0 224.304 0.914 10 0 BCAERO C[C@@H]1CC(=O)N(c2ccc(C[NH3+])cn2)C1=O ZINC000051953266 176049572 /nfs/dbraw/zinc/04/95/72/176049572.db2.gz PGHUKYDBRNYWMH-SSDOTTSWSA-N 1 0 219.244 0.440 10 0 BCAERO C[C@@H]1CC([NH2+]CC(=O)N(C)C)C[C@@H](C)O1 ZINC000096033751 176055221 /nfs/dbraw/zinc/05/52/21/176055221.db2.gz BNIKGKYJRIIGJX-RKDXNWHRSA-N 1 0 214.309 0.620 10 0 BCAERO C[C@@H]1CCCCN1[C@]1(C[NH3+])CC[N@H+](C)C1 ZINC000061990004 176075371 /nfs/dbraw/zinc/07/53/71/176075371.db2.gz IAWWAPUCXNONOA-NEPJUHHUSA-N 1 0 211.353 0.894 10 0 BCAERO C[C@@H]1CCC[N@@H+]([C@]2(CN)CCN(C)C2)C1 ZINC000061990018 176102693 /nfs/dbraw/zinc/10/26/93/176102693.db2.gz JVIJTQXZDOOHSW-NEPJUHHUSA-N 1 0 211.353 0.751 10 0 BCAERO C[C@@H]1CCC[N@@H+]1C[C@H](O)Cn1cc(N)cn1 ZINC000037909959 176108044 /nfs/dbraw/zinc/10/80/44/176108044.db2.gz ATXSNXREEORRNU-KOLCDFICSA-N 1 0 224.308 0.311 10 0 BCAERO C[C@@H]1CCCN1S(=O)(=O)C[C@@H]1CCC[NH2+]C1 ZINC000049644216 176109699 /nfs/dbraw/zinc/10/96/99/176109699.db2.gz SSZCFDKTPAJNAB-GHMZBOCLSA-N 1 0 246.376 0.800 10 0 BCAERO C[C@@H]1CCC[NH2+][C@@H]1C(=O)N1CCC(O)CC1 ZINC000051790694 176111102 /nfs/dbraw/zinc/11/11/02/176111102.db2.gz RNJDXJUUEMJTIV-KOLCDFICSA-N 1 0 226.320 0.358 10 0 BCAERO C[C@@H]1CCC[NH2+][C@H]1C(=O)NC1CCOCC1 ZINC000051792988 176112359 /nfs/dbraw/zinc/11/23/59/176112359.db2.gz FAZFTYIFVAQZGI-MWLCHTKSSA-N 1 0 226.320 0.670 10 0 BCAERO C[C@@H]1CCC[NH2+][C@H]1C(=O)N1CCCOCC1 ZINC000061933218 176112399 /nfs/dbraw/zinc/11/23/99/176112399.db2.gz AHINUWNJMXTIKG-GHMZBOCLSA-N 1 0 226.320 0.623 10 0 BCAERO C[C@@H]1CCC[C@@H](C(=O)NC[C@@H]2CCCO2)[NH2+]1 ZINC000019484723 176112867 /nfs/dbraw/zinc/11/28/67/176112867.db2.gz KDHGDUKFEMAHNH-VWYCJHECSA-N 1 0 226.320 0.812 10 0 BCAERO C[C@@H]1CCC[C@@H]([NH3+])[C@@H]1C(=O)N1CCC[C@@H]1CO ZINC000055139917 176120964 /nfs/dbraw/zinc/12/09/64/176120964.db2.gz UILLSGIKKQIWAX-DDHJBXDOSA-N 1 0 240.347 0.733 10 0 BCAERO C[C@@H]1CCC[C@@H]([NH3+])[C@@H]1C(=O)N1CCCOCC1 ZINC000061940163 176121070 /nfs/dbraw/zinc/12/10/70/176121070.db2.gz NNIFLIZHEHCIMI-IJLUTSLNSA-N 1 0 240.347 0.999 10 0 BCAERO C[C@@H]1CCC[C@@H]1C(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000358074365 176126726 /nfs/dbraw/zinc/12/67/26/176126726.db2.gz RHMXJTHAXQYLST-NTZNESFSSA-N 1 0 240.347 0.605 10 0 BCAERO C[C@@H]1CCC[C@@](CO)(NC(=O)[C@@H]2CC[NH2+]C2)C1 ZINC000062116878 176134002 /nfs/dbraw/zinc/13/40/02/176134002.db2.gz SGKOBQYZSQGTRA-NQBHXWOUSA-N 1 0 240.347 0.653 10 0 BCAERO C[C@@H]1CCC[C@H]([NH3+])[C@@H]1C(=O)N1CCCOCC1 ZINC000061940158 176140532 /nfs/dbraw/zinc/14/05/32/176140532.db2.gz NNIFLIZHEHCIMI-GRYCIOLGSA-N 1 0 240.347 0.999 10 0 BCAERO C[C@@H]1CCC[C@](CO)([NH2+]C[C@H](O)CN(C)C)C1 ZINC000053125768 176152191 /nfs/dbraw/zinc/15/21/91/176152191.db2.gz RIWAZCVFLMRUBM-AGIUHOORSA-N 1 0 244.379 0.440 10 0 BCAERO C[C@@H]1CCN(C(=O)N[C@H]2CCOC2)[C@@H](C[NH3+])C1 ZINC000235302641 176159276 /nfs/dbraw/zinc/15/92/76/176159276.db2.gz XZVYKHOOHJGKDX-OUAUKWLOSA-N 1 0 241.335 0.544 10 0 BCAERO C[C@@H]1CCN(Cc2ccnn2C)[C@@H](C[NH3+])C1 ZINC000235339876 176178020 /nfs/dbraw/zinc/17/80/20/176178020.db2.gz GVAACYOUZXOFFU-ZYHUDNBSSA-N 1 0 222.336 0.979 10 0 BCAERO C[C@@H]1CCN(Cc2nccn2C)[C@@H](C[NH3+])C1 ZINC000235343955 176179237 /nfs/dbraw/zinc/17/92/37/176179237.db2.gz VKFXQYYJHKKHDF-GHMZBOCLSA-N 1 0 222.336 0.979 10 0 BCAERO C[C@@H]1CC[C@@H]([NH3+])C[C@@H]1C(=O)NC(C)(C)C(N)=O ZINC000055136378 176208501 /nfs/dbraw/zinc/20/85/01/176208501.db2.gz MHWXPSGNAMOJJB-HLTSFMKQSA-N 1 0 241.335 0.130 10 0 BCAERO C[C@@H]1CN(C(=O)C(F)(F)C(F)F)C[C@@H]1[NH3+] ZINC000235261858 176242418 /nfs/dbraw/zinc/24/24/18/176242418.db2.gz VLBAVZWFODNPRM-UHNVWZDZSA-N 1 0 228.189 0.692 10 0 BCAERO C[C@@H]1CN(C(=O)C[C@@H]2CCC[NH2+]C2)CCO1 ZINC000054290517 176248386 /nfs/dbraw/zinc/24/83/86/176248386.db2.gz UUFUAHOKGMCIJR-MNOVXSKESA-N 1 0 226.320 0.623 10 0 BCAERO C[C@@H]1CN(C(=O)[C@@H]2CC[C@@H]([NH3+])C2)C[C@@H](C)O1 ZINC000227877219 176255468 /nfs/dbraw/zinc/25/54/68/176255468.db2.gz CAHOPMORROQYFW-GWOFURMSSA-N 1 0 226.320 0.750 10 0 BCAERO C[C@@H]1CN(C(=O)[C@H]2CCC[C@H]([NH3+])C2)CCO1 ZINC000055086094 176258491 /nfs/dbraw/zinc/25/84/91/176258491.db2.gz CZFDEBABTGPSBC-VWYCJHECSA-N 1 0 226.320 0.751 10 0 BCAERO C[C@@H]1CN(C(=O)[C@H]2CC[NH2+]C2)[C@H](C)CO1 ZINC000251591906 176258659 /nfs/dbraw/zinc/25/86/59/176258659.db2.gz FSEFLLAKFPOVLP-BBBLOLIVSA-N 1 0 212.293 0.232 10 0 BCAERO C[C@@H]1CN(C(=O)c2n[nH]c3ccccc32)C[C@@H]1[NH3+] ZINC000235364687 176259233 /nfs/dbraw/zinc/25/92/33/176259233.db2.gz CEQPJBGNWIAFQM-SCZZXKLOSA-N 1 0 244.298 0.982 10 0 BCAERO C[C@@H]1CN(C(=O)n2cc[n+](C)c2)[C@H](C)CO1 ZINC000035788857 176266363 /nfs/dbraw/zinc/26/63/63/176266363.db2.gz BOVIDSGRFAUSCX-NXEZZACHSA-N 1 0 224.284 0.390 10 0 BCAERO C[C@@H]1CN(C2(C[NH3+])CCOCC2)CCO1 ZINC000036304793 176279893 /nfs/dbraw/zinc/27/98/93/176279893.db2.gz IPWVXFREPLNKEW-SNVBAGLBSA-N 1 0 214.309 0.215 10 0 BCAERO C[C@@H]1CN(CC(=O)NC(C)(C)C)C[C@@H]1[NH3+] ZINC000235355087 176283202 /nfs/dbraw/zinc/28/32/02/176283202.db2.gz DZRZHSYJVAGCNA-BDAKNGLRSA-N 1 0 213.325 0.180 10 0 BCAERO C[C@@H]1C[N@H+](C[C@H]2CCCO2)C[C@H]1C(N)=O ZINC000339189623 176300178 /nfs/dbraw/zinc/30/01/78/176300178.db2.gz LRAFGYCRILBXDJ-OPRDCNLKSA-N 1 0 212.293 0.219 10 0 BCAERO C[C@@H]1CN(Cc2c[nH]cn2)C[C@H]1[NH+](C)C ZINC000280131436 176302220 /nfs/dbraw/zinc/30/22/20/176302220.db2.gz AXPWFNYAAKUGDP-MWLCHTKSSA-N 1 0 208.309 0.792 10 0 BCAERO C[C@@H]1CN(Cc2ccoc2C[NH3+])CCO1 ZINC000052382442 176309117 /nfs/dbraw/zinc/30/91/17/176309117.db2.gz GJZVKCSBGVSYHZ-SECBINFHSA-N 1 0 210.277 0.959 10 0 BCAERO C[C@@H]1CN(S(=O)(=O)c2cccnc2)C[C@@H]1[NH3+] ZINC000235370408 176314452 /nfs/dbraw/zinc/31/44/52/176314452.db2.gz YYMSDLHMQYAMQE-SCZZXKLOSA-N 1 0 241.316 0.049 10 0 BCAERO C[C@@H]1CN(c2nccc(CO)n2)C[C@@H]1[NH+](C)C ZINC000341380825 176320621 /nfs/dbraw/zinc/32/06/21/176320621.db2.gz PBLLHBKTEKYLQA-KOLCDFICSA-N 1 0 236.319 0.355 10 0 BCAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(C)(C)O ZINC000300014539 176322777 /nfs/dbraw/zinc/32/27/77/176322777.db2.gz NSGCYECRCUNKNE-ZJUUUORDSA-N 1 0 226.320 0.452 10 0 BCAERO C[C@@H]1C[NH+]=C(NCc2nncn2C)S1 ZINC000050420763 176324224 /nfs/dbraw/zinc/32/42/24/176324224.db2.gz ZPQIBLAPTBUKKQ-ZCFIWIBFSA-N 1 0 211.294 0.396 10 0 BCAERO C[C@@H]1C[NH2+]C(C)(C)CN1S(C)(=O)=O ZINC000062569626 176324792 /nfs/dbraw/zinc/32/47/92/176324792.db2.gz XQRXFSQNPCZEIG-SSDOTTSWSA-N 1 0 206.311 0.018 10 0 BCAERO C[C@@H]1C[NH2+]CCN1C(=O)[C@H]1C[C@H]1C1CC1 ZINC000124874641 176326860 /nfs/dbraw/zinc/32/68/60/176326860.db2.gz ZYICVMBCOIIJDV-MIMYLULJSA-N 1 0 208.305 0.853 10 0 BCAERO C[C@@H]1C[NH2+]CCN1CC(=O)N(C)C1=CCCC1 ZINC000054372170 176327032 /nfs/dbraw/zinc/32/70/32/176327032.db2.gz QIYGJWVNDXFZFU-LLVKDONJSA-N 1 0 237.347 0.806 10 0 BCAERO C[C@@H]1C[NH2+]CCN1CC(=O)c1ccco1 ZINC000095069595 176327068 /nfs/dbraw/zinc/32/70/68/176327068.db2.gz OWWNPVHSQCOHIE-SECBINFHSA-N 1 0 208.261 0.756 10 0 BCAERO C[C@@H]1C[NH2+]CCN1C(=O)c1ccc2c[nH]nc2c1 ZINC000061670100 176327115 /nfs/dbraw/zinc/32/71/15/176327115.db2.gz JTRHSGZUTCYOLN-SECBINFHSA-N 1 0 244.298 0.997 10 0 BCAERO C[C@@H]1C[NH2+]C[C@@H]1C(=O)Nc1cccnc1N(C)C ZINC000104225564 176329457 /nfs/dbraw/zinc/32/94/57/176329457.db2.gz ZDPMHXPTKVQWKM-ZJUUUORDSA-N 1 0 248.330 0.942 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N(C)Cc1nccs1 ZINC000335592997 176329629 /nfs/dbraw/zinc/32/96/29/176329629.db2.gz YSLFUKKLGPNFDU-RKDXNWHRSA-N 1 0 239.344 0.957 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N(C)Cc1cccnc1 ZINC000111264034 176329650 /nfs/dbraw/zinc/32/96/50/176329650.db2.gz QTSCUJYALHHCPI-ZYHUDNBSSA-N 1 0 233.315 0.896 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N(C)Cc1cnn(C)c1 ZINC000104217803 176329893 /nfs/dbraw/zinc/32/98/93/176329893.db2.gz GQPKULQDEGZCIU-MWLCHTKSSA-N 1 0 236.319 0.234 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)NC1(CO)CCCCC1 ZINC000104224111 176330234 /nfs/dbraw/zinc/33/02/34/176330234.db2.gz KQZNMHJSFCIIIL-GHMZBOCLSA-N 1 0 240.347 0.653 10 0 BCAERO C[C@@H]1COCCN1C(=O)C[C@H]1CCC[NH2+]1 ZINC000042166120 176333915 /nfs/dbraw/zinc/33/39/15/176333915.db2.gz YNBGGPSAADORON-NXEZZACHSA-N 1 0 212.293 0.376 10 0 BCAERO C[C@@H]1COCCN1C(=O)[C@@H]([NH3+])C(C)(C)C ZINC000040460135 176334196 /nfs/dbraw/zinc/33/41/96/176334196.db2.gz UBMVMLLVTVQKEB-RKDXNWHRSA-N 1 0 214.309 0.607 10 0 BCAERO C[C@@H]1COCCN1C(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000035776632 176334416 /nfs/dbraw/zinc/33/44/16/176334416.db2.gz MELKYENKQRROQJ-DGCLKSJQSA-N 1 0 248.326 0.804 10 0 BCAERO C[C@@H]1COCCN1C(=O)[C@H]1CCC[NH2+]C1 ZINC000035776680 176334809 /nfs/dbraw/zinc/33/48/09/176334809.db2.gz UIDNNEBGOIJKTJ-ZJUUUORDSA-N 1 0 212.293 0.233 10 0 BCAERO C[C@@H]1COCCN1C(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000227877480 176334879 /nfs/dbraw/zinc/33/48/79/176334879.db2.gz PUQUMAORPRWZLZ-OPRDCNLKSA-N 1 0 212.293 0.361 10 0 BCAERO C[C@@H]1COCCN1[C@@H](C[NH3+])c1ccccn1 ZINC000035774325 176337059 /nfs/dbraw/zinc/33/70/59/176337059.db2.gz OLTVJMDWVCKOAH-PWSUYJOCSA-N 1 0 221.304 0.802 10 0 BCAERO C[C@@H]1COCCN1[C@@H](C[NH3+])c1ccncc1 ZINC000043353458 176337862 /nfs/dbraw/zinc/33/78/62/176337862.db2.gz UXVIFZMJTCUUAX-PWSUYJOCSA-N 1 0 221.304 0.802 10 0 BCAERO C[C@@H]1C[C@@H]1C[NH2+][C@@H]1CCc2ncnn2C1 ZINC000336751529 176398191 /nfs/dbraw/zinc/39/81/91/176398191.db2.gz GLBNABOLPUSOLD-OPRDCNLKSA-N 1 0 206.293 0.839 10 0 BCAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NCc1ccno1 ZINC000335593321 176457427 /nfs/dbraw/zinc/45/74/27/176457427.db2.gz BSUNMWYGSLNEBT-WPRPVWTQSA-N 1 0 223.276 0.679 10 0 BCAERO C[C@@H]1OCC[C@@H]1NC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000333506855 176470820 /nfs/dbraw/zinc/47/08/20/176470820.db2.gz DXZDRPIAPOXBGQ-VLEAKVRGSA-N 1 0 239.319 0.167 10 0 BCAERO C[C@H]1[C@H](C(=O)N2CCC(O)CC2)CCC[C@@H]1[NH3+] ZINC000055123869 176493997 /nfs/dbraw/zinc/49/39/97/176493997.db2.gz DAWHDPDVPXMXAW-WCQGTBRESA-N 1 0 240.347 0.733 10 0 BCAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)c1cccn1C ZINC000309037428 176501813 /nfs/dbraw/zinc/50/18/13/176501813.db2.gz HADYCNIKBAUVKK-RKDXNWHRSA-N 1 0 207.277 0.587 10 0 BCAERO C[C@H](C[NH3+])CN(C)C(=O)[C@H]1CCOC1 ZINC000042455334 176658592 /nfs/dbraw/zinc/65/85/92/176658592.db2.gz DRKDPVYWDOEQAX-BDAKNGLRSA-N 1 0 200.282 0.076 10 0 BCAERO C[C@H](CN1CC[NH2+]CC1)NC(=O)OC(C)(C)C ZINC000083253778 176667625 /nfs/dbraw/zinc/66/76/25/176667625.db2.gz NMUCCRJTCQNDRT-SNVBAGLBSA-N 1 0 243.351 0.805 10 0 BCAERO C[C@H]([NH3+])CC(=O)NC1(CO)CCCCC1 ZINC000053127265 176755630 /nfs/dbraw/zinc/75/56/30/176755630.db2.gz SSMPEWIXETWHSV-VIFPVBQESA-N 1 0 214.309 0.535 10 0 BCAERO C[C@@H](NC(=O)C[C@H](C)[NH3+])C(=O)N1CCCCC1 ZINC000037769741 176756312 /nfs/dbraw/zinc/75/63/12/176756312.db2.gz ZDYXRZALVNMLGL-VHSXEESVSA-N 1 0 241.335 0.241 10 0 BCAERO C[C@H]([NH3+])[C@H](C)C(=O)N1CCOC[C@H]1C ZINC000235482042 176768799 /nfs/dbraw/zinc/76/87/99/176768799.db2.gz MLMBXAMQHLRBBE-VGMNWLOBSA-N 1 0 200.282 0.217 10 0 BCAERO C[C@H](NC(=O)C[C@@H]1CCC[NH2+]1)[C@H]1CCCO1 ZINC000042166104 176794546 /nfs/dbraw/zinc/79/45/46/176794546.db2.gz SNXDHEOELZUQNT-GARJFASQSA-N 1 0 226.320 0.812 10 0 BCAERO C[C@H](NC(=O)C[C@H]1CCCC[NH2+]1)C(=O)N(C)C ZINC000042573626 176795150 /nfs/dbraw/zinc/79/51/50/176795150.db2.gz OPGXGPBHPYTTJY-VHSXEESVSA-N 1 0 241.335 0.112 10 0 BCAERO C[C@H](NC(=O)Nc1ccc(C[NH3+])cc1)C(N)=O ZINC000035796888 176805432 /nfs/dbraw/zinc/80/54/32/176805432.db2.gz GOAXYCRQBLIAGQ-ZETCQYMHSA-N 1 0 236.275 0.141 10 0 BCAERO C[C@@H]([NH2+][C@@H](C)C(=O)N1CCOCC1)C1CC1 ZINC000035140219 176907920 /nfs/dbraw/zinc/90/79/20/176907920.db2.gz TUWOGUYHMJBKMF-ZJUUUORDSA-N 1 0 226.320 0.622 10 0 BCAERO C[C@H](O)CN(C)C(=O)Cc1ccc(C[NH3+])cc1 ZINC000104118905 176967793 /nfs/dbraw/zinc/96/77/93/176967793.db2.gz VFYQCDAWNZEZOH-JTQLQIEISA-N 1 0 236.315 0.527 10 0 BCAERO C[C@H](O)CN(C)C(=O)CC1CCC([NH3+])CC1 ZINC000055130902 176967900 /nfs/dbraw/zinc/96/79/00/176967900.db2.gz ITOXYSKTVOPRRF-WHXUTIOJSA-N 1 0 228.336 0.733 10 0 BCAERO C[C@H](OC[C@@H]1CCC[NH2+]1)C(=O)N1CCCC1 ZINC000051816263 177021203 /nfs/dbraw/zinc/02/12/03/177021203.db2.gz RIHOQIXSOBUXKY-QWRGUYRKSA-N 1 0 226.320 0.766 10 0 BCAERO C[C@H](OC[C@H]1CCC[NH2+]1)C(=O)N1CCCC1 ZINC000051816265 177021976 /nfs/dbraw/zinc/02/19/76/177021976.db2.gz RIHOQIXSOBUXKY-WDEREUQCSA-N 1 0 226.320 0.766 10 0 BCAERO C[C@H](c1ccccc1F)n1nnnc1C[NH3+] ZINC000054747188 177042759 /nfs/dbraw/zinc/04/27/59/177042759.db2.gz SEHOOMFSXSHIGT-SSDOTTSWSA-N 1 0 221.239 0.880 10 0 BCAERO C[C@H](c1cccnc1)N1C[C@@H]([NH3+])CC1=O ZINC000035692798 177046138 /nfs/dbraw/zinc/04/61/38/177046138.db2.gz UENUMTPMIWCVIR-SCZZXKLOSA-N 1 0 205.261 0.702 10 0 BCAERO C[C@H]1C(=O)NCCN1C[C@H]([NH3+])c1ccccc1 ZINC000104318973 177059797 /nfs/dbraw/zinc/05/97/97/177059797.db2.gz BOUOJIWCDILGDC-JQWIXIFHSA-N 1 0 233.315 0.507 10 0 BCAERO C[C@H]1CC(=O)N(C2CCC([NH3+])CC2)C1=O ZINC000038051975 177061514 /nfs/dbraw/zinc/06/15/14/177061514.db2.gz PJGIFKYAGNALAY-UEJVZZJDSA-N 1 0 210.277 0.651 10 0 BCAERO C[C@H]1CCCCN1[C@]1(C[NH3+])CC[N@H+](C)C1 ZINC000061990005 177078767 /nfs/dbraw/zinc/07/87/67/177078767.db2.gz IAWWAPUCXNONOA-RYUDHWBXSA-N 1 0 211.353 0.894 10 0 BCAERO C[C@H]1CCCC[C@H]1N(C)S(=O)(=O)CC[NH3+] ZINC000042609415 177086606 /nfs/dbraw/zinc/08/66/06/177086606.db2.gz HDMCJZDMQKJKLC-VHSXEESVSA-N 1 0 234.365 0.785 10 0 BCAERO C[C@@H]([NH3+])CCNS(=O)(=O)N1CCC[C@H](C)C1 ZINC000063171043 177104403 /nfs/dbraw/zinc/10/44/03/177104403.db2.gz FDRUYJMKGHVLSZ-VHSXEESVSA-N 1 0 249.380 0.290 10 0 BCAERO C[C@H]1CCCN1C(=O)C1(C[NH3+])CCOCC1 ZINC000044763113 177105325 /nfs/dbraw/zinc/10/53/25/177105325.db2.gz MOPJMOKHERSATI-JTQLQIEISA-N 1 0 226.320 0.753 10 0 BCAERO C[C@H]1CCC[NH2+][C@@H]1C(=O)NC1CCOCC1 ZINC000051792985 177112726 /nfs/dbraw/zinc/11/27/26/177112726.db2.gz FAZFTYIFVAQZGI-ONGXEEELSA-N 1 0 226.320 0.670 10 0 BCAERO C[C@H]1CCC[C@@H](C(=O)N2CCN(C)CC2)[NH2+]1 ZINC000019488485 177112996 /nfs/dbraw/zinc/11/29/96/177112996.db2.gz RMRIGWPTBQXIFP-QWRGUYRKSA-N 1 0 225.336 0.291 10 0 BCAERO C[C@H]1CCC[C@@H](CNC(=O)NC2CC2)[NH2+]1 ZINC000054457145 177119252 /nfs/dbraw/zinc/11/92/52/177119252.db2.gz RSIQVQTWUPOUOE-WPRPVWTQSA-N 1 0 211.309 0.979 10 0 BCAERO C[C@H]1CCC[C@H](C(=O)Nc2ccnn2C)[NH2+]1 ZINC000044593824 177129342 /nfs/dbraw/zinc/12/93/42/177129342.db2.gz QXLOFIALGFPYJA-DTWKUNHWSA-N 1 0 222.292 0.889 10 0 BCAERO C[C@H]1CCC[C@H]([NH2+]CCS(N)(=O)=O)C1 ZINC000036745444 177136810 /nfs/dbraw/zinc/13/68/10/177136810.db2.gz SDLZCCDUYQHBNY-IUCAKERBSA-N 1 0 220.338 0.443 10 0 BCAERO C[C@H]1CCC[C@H]1NC(=O)[C@@H]1C[NH2+]CCO1 ZINC000070834108 177141226 /nfs/dbraw/zinc/14/12/26/177141226.db2.gz RIMAWJSSYSZINO-AEJSXWLSSA-N 1 0 212.293 0.280 10 0 BCAERO C[C@H]1CCN(CC(=O)N2CCCC2)[C@H](C[NH3+])C1 ZINC000111679845 177157783 /nfs/dbraw/zinc/15/77/83/177157783.db2.gz IDEXTAMERPNVQK-RYUDHWBXSA-N 1 0 239.363 0.668 10 0 BCAERO C[C@H]1CCN(CCS(C)(=O)=O)CCC[NH2+]1 ZINC000049662685 177161116 /nfs/dbraw/zinc/16/11/16/177161116.db2.gz NTCLOPXIFVGTRL-JTQLQIEISA-N 1 0 234.365 0.105 10 0 BCAERO C[C@H]1CCN(C[C@@H]2COCCO2)CC[NH2+]1 ZINC000049662293 177161532 /nfs/dbraw/zinc/16/15/32/177161532.db2.gz DVIGVFQLENFZGP-WDEREUQCSA-N 1 0 214.309 0.086 10 0 BCAERO C[C@H]1CC[C@@H](C(=O)NC[C@@H]2CCCO2)C[NH2+]1 ZINC000019503872 177181203 /nfs/dbraw/zinc/18/12/03/177181203.db2.gz OEIOPQKCFIGGRC-AXFHLTTASA-N 1 0 226.320 0.670 10 0 BCAERO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1CC(C)(C)O ZINC000042438564 177182338 /nfs/dbraw/zinc/18/23/38/177182338.db2.gz NLCXZAQPBSNWIB-DTWKUNHWSA-N 1 0 214.309 0.343 10 0 BCAERO C[C@H]1CC[C@@H]([NH2+][C@@H]2CCS(=O)(=O)C2)C1 ZINC000080425591 177194022 /nfs/dbraw/zinc/19/40/22/177194022.db2.gz VBWUIDJXZMRSSL-IVZWLZJFSA-N 1 0 217.334 0.952 10 0 BCAERO C[C@H]1CC[C@@H](OCC(=O)N2CCCC2)C[NH2+]1 ZINC000050211484 177194542 /nfs/dbraw/zinc/19/45/42/177194542.db2.gz MCZVLRPWUXXMDB-WDEREUQCSA-N 1 0 226.320 0.766 10 0 BCAERO C[C@H]1CC[C@H]([NH3+])C[C@@H]1C(=O)NCCCC(N)=O ZINC000055130546 177204189 /nfs/dbraw/zinc/20/41/89/177204189.db2.gz VFKNFRABLDWVCQ-GUBZILKMSA-N 1 0 241.335 0.132 10 0 BCAERO C[C@H]1CN(C(=O)CC[C@H]2CC[NH2+]C2)CCO1 ZINC000134463703 177215287 /nfs/dbraw/zinc/21/52/87/177215287.db2.gz PMHKRTZTOVUTQC-QWRGUYRKSA-N 1 0 226.320 0.623 10 0 BCAERO C[C@H]1CN(C(=O)NC2CCCC2)C[C@H]1[NH3+] ZINC000235638070 177220190 /nfs/dbraw/zinc/22/01/90/177220190.db2.gz RCUXYUQNPMNVGW-WCBMZHEXSA-N 1 0 211.309 0.918 10 0 BCAERO C[C@@H]1CN(C(=O)[C@@H]2CCC[C@H]2[NH3+])C[C@H](C)O1 ZINC000133247035 177223088 /nfs/dbraw/zinc/22/30/88/177223088.db2.gz RJNFAEMNTIGMMZ-LMLFDSFASA-N 1 0 226.320 0.750 10 0 BCAERO C[C@H]1CN(C(=O)c2cncc(O)c2)C[C@H](C)[NH2+]1 ZINC000070076308 177230564 /nfs/dbraw/zinc/23/05/64/177230564.db2.gz XUSJRGBITPFBCU-IUCAKERBSA-N 1 0 235.287 0.610 10 0 BCAERO C[C@H]1CN(C(=O)c2nccnc2N)C[C@@H]1[NH+](C)C ZINC000266146560 177231906 /nfs/dbraw/zinc/23/19/06/177231906.db2.gz GJVLDBGFTOXLSG-IUCAKERBSA-N 1 0 249.318 0.081 10 0 BCAERO C[C@H]1C[N@H+](C)[C@@H](C)C[C@@H]1n1[nH]c(=O)cc1N ZINC000005730021 177239222 /nfs/dbraw/zinc/23/92/22/177239222.db2.gz KERAHEXBXSFFAC-CIUDSAMLSA-N 1 0 224.308 0.660 10 0 BCAERO C[C@H]1CN(CC(=O)NC2CCCC2)C[C@@H]1[NH3+] ZINC000235645851 177243667 /nfs/dbraw/zinc/24/36/67/177243667.db2.gz FGNYGMZSGPKRLH-ONGXEEELSA-N 1 0 225.336 0.324 10 0 BCAERO C[C@H]1CN(CCc2ccccn2)CC[NH2+]1 ZINC000077299090 177253672 /nfs/dbraw/zinc/25/36/72/177253672.db2.gz QLUOJGZBXHUCGJ-NSHDSACASA-N 1 0 205.305 0.918 10 0 BCAERO C[C@H]1C[N@H+](CCn2cc(N)cn2)CC(C)(C)O1 ZINC000050614915 177255658 /nfs/dbraw/zinc/25/56/58/177255658.db2.gz PPGKDRXMQXTSQD-JTQLQIEISA-N 1 0 238.335 0.965 10 0 BCAERO C[C@H]1CN(CCc2cnn(C)c2)C[C@@H]1[NH3+] ZINC000235650477 177256390 /nfs/dbraw/zinc/25/63/90/177256390.db2.gz JTGDJMIRGWMQBV-ONGXEEELSA-N 1 0 208.309 0.242 10 0 BCAERO C[C@H]1CN(C[C@@H]2CCS(=O)(=O)C2)[C@@H](C)C[NH2+]1 ZINC000083085950 177258238 /nfs/dbraw/zinc/25/82/38/177258238.db2.gz BEBLDDJSCZLIHQ-DCAQKATOSA-N 1 0 246.376 0.103 10 0 BCAERO C[C@H]1CN(Cc2cccnc2C(N)=[NH2+])CCCO1 ZINC000061918991 177266103 /nfs/dbraw/zinc/26/61/03/177266103.db2.gz QTUQZQVVIUMWRW-JTQLQIEISA-N 1 0 248.330 0.976 10 0 BCAERO C[C@@H](O)C[N@@H+]1CCN(Cc2cocn2)C[C@@H]1C ZINC000191941409 177271335 /nfs/dbraw/zinc/27/13/35/177271335.db2.gz ISDAOCYUZNVQRN-WDEREUQCSA-N 1 0 239.319 0.562 10 0 BCAERO C[C@H]1CN(Cc2ncc[nH]2)C[C@H]1[NH+](C)C ZINC000271563840 177271918 /nfs/dbraw/zinc/27/19/18/177271918.db2.gz NTAIFVHYYZPQTO-VHSXEESVSA-N 1 0 208.309 0.792 10 0 BCAERO C[C@H]1CN([C@@H](C[NH3+])c2cccnc2)CCO1 ZINC000019255309 177274976 /nfs/dbraw/zinc/27/49/76/177274976.db2.gz LNCTZPLSNWIXKC-JQWIXIFHSA-N 1 0 221.304 0.802 10 0 BCAERO C[C@H]1CN(c2ncc(Cl)cn2)C[C@@H]1[NH3+] ZINC000235655294 177278310 /nfs/dbraw/zinc/27/83/10/177278310.db2.gz LYOKIAUQXHUXCK-XPUUQOCRSA-N 1 0 212.684 0.913 10 0 BCAERO C[C@H]1CN(c2nccc(CO)n2)C[C@@H]1[NH+](C)C ZINC000341380830 177278366 /nfs/dbraw/zinc/27/83/66/177278366.db2.gz PBLLHBKTEKYLQA-ONGXEEELSA-N 1 0 236.319 0.355 10 0 BCAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cnccn1 ZINC000113226326 177279965 /nfs/dbraw/zinc/27/99/65/177279965.db2.gz SJJSKMDBIDDYOK-WDEREUQCSA-N 1 0 246.314 0.785 10 0 BCAERO C[C@H](CN1CCOCC1)NC1=[NH+]C[C@H](C)S1 ZINC000049510399 177281311 /nfs/dbraw/zinc/28/13/11/177281311.db2.gz ADHXBVNUEPRISR-ZJUUUORDSA-N 1 0 243.376 0.788 10 0 BCAERO C[C@H]1C[NH+]=C(N[C@]2(C)CCS(=O)(=O)C2)S1 ZINC000044931822 177281377 /nfs/dbraw/zinc/28/13/77/177281377.db2.gz QAVRJLXTZCVZQT-IONNQARKSA-N 1 0 248.373 0.645 10 0 BCAERO C[C@H]1C[NH2+]CCCN([C@@H]2CCS(=O)(=O)C2)C1 ZINC000049664146 177281767 /nfs/dbraw/zinc/28/17/67/177281767.db2.gz QLWZEBSIXSTXSW-WDEREUQCSA-N 1 0 246.376 0.105 10 0 BCAERO C[C@H]1C[NH2+]CCN1CC(=O)c1ccco1 ZINC000095069596 177283685 /nfs/dbraw/zinc/28/36/85/177283685.db2.gz OWWNPVHSQCOHIE-VIFPVBQESA-N 1 0 208.261 0.756 10 0 BCAERO C[C@H]1C[NH2+]CCN1C(=O)[C@H]1C[C@H]1C1CC1 ZINC000125986494 177284173 /nfs/dbraw/zinc/28/41/73/177284173.db2.gz ZYICVMBCOIIJDV-LSJOCFKGSA-N 1 0 208.305 0.853 10 0 BCAERO C[C@H]1C[NH2+]CCN1Cc1nccnc1Cl ZINC000095069616 177284789 /nfs/dbraw/zinc/28/47/89/177284789.db2.gz NLZDHVPOEWTQGA-QMMMGPOBSA-N 1 0 226.711 0.924 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H](C)OCCOCCOCCO1 ZINC000038634575 177285699 /nfs/dbraw/zinc/28/56/99/177285699.db2.gz HXTDELPHJPMEDJ-TXEJJXNPSA-N 1 0 247.335 0.433 10 0 BCAERO C[C@H]1COCCN1C(=O)C1(C[NH3+])CCCC1 ZINC000044762718 177289287 /nfs/dbraw/zinc/28/92/87/177289287.db2.gz RXLODTAJXZJSSE-JTQLQIEISA-N 1 0 226.320 0.753 10 0 BCAERO C[C@H]1COCCN1C(=O)C[C@@H]1CSCC[NH2+]1 ZINC000085613208 177289392 /nfs/dbraw/zinc/28/93/92/177289392.db2.gz PUALMCJHTWORCU-VHSXEESVSA-N 1 0 244.360 0.329 10 0 BCAERO C[C@H]1COCCN1c1ncc(C[NH3+])s1 ZINC000054895594 177293844 /nfs/dbraw/zinc/29/38/44/177293844.db2.gz LWWZKNSXKHAGGU-ZETCQYMHSA-N 1 0 213.306 0.827 10 0 BCAERO C[C@@H]1COC[C@H](C)N1C(=O)c1coc(C[NH3+])c1 ZINC000187863461 177297849 /nfs/dbraw/zinc/29/78/49/177297849.db2.gz ZCAXRBZZDYPAOI-DTORHVGOSA-N 1 0 238.287 0.988 10 0 BCAERO C[C@H]1CSC(N[C@]2(C)CCS(=O)(=O)C2)=[NH+]1 ZINC000044931830 177303422 /nfs/dbraw/zinc/30/34/22/177303422.db2.gz WRQSHTKVBMWRML-IONNQARKSA-N 1 0 248.373 0.645 10 0 BCAERO C[C@H]1C[C@@H]([NH3+])CC[C@@H]1C(=O)NC(C)(C)C(N)=O ZINC000055136405 177327019 /nfs/dbraw/zinc/32/70/19/177327019.db2.gz GIQDZFIOYXMQED-CIUDSAMLSA-N 1 0 241.335 0.130 10 0 BCAERO C[C@H]1C[C@@H]1NS(=O)(=O)c1cccc(C[NH3+])c1 ZINC000052287422 177350353 /nfs/dbraw/zinc/35/03/53/177350353.db2.gz IBDVEGCWHKKZCV-KWQFWETISA-N 1 0 240.328 0.832 10 0 BCAERO C[C@H]1C[C@H](NC(=O)N2CCCC2)C[N@@H+]1C ZINC000199937723 177367231 /nfs/dbraw/zinc/36/72/31/177367231.db2.gz AZBFJBJXUQUQLF-UWVGGRQHSA-N 1 0 211.309 0.884 10 0 BCAERO C[C@H]1NC(=O)CC[C@H]1[NH2+]CCCCF ZINC000336652184 177393763 /nfs/dbraw/zinc/39/37/63/177393763.db2.gz KLLZUFDTFDYQSN-RKDXNWHRSA-N 1 0 202.273 0.993 10 0 BCAERO C[C@H]1C[C@H]1[NH2+]CC(=O)NC1CCOCC1 ZINC000062768859 177385772 /nfs/dbraw/zinc/38/57/72/177385772.db2.gz MYRJKXVBSAMOIK-WCBMZHEXSA-N 1 0 212.293 0.280 10 0 BCAERO C[C@H]1NC(=O)CC[C@@H]1[NH2+]Cc1cc[nH]c1 ZINC000335605745 177393248 /nfs/dbraw/zinc/39/32/48/177393248.db2.gz IAQHVZBRZUFLCZ-SCZZXKLOSA-N 1 0 207.277 0.771 10 0 BCAERO C[C@H]1NC(=O)CC[C@H]1[NH2+]CC1(O)CCCC1 ZINC000335144434 177394140 /nfs/dbraw/zinc/39/41/40/177394140.db2.gz HBIDEAUZMPNLPC-NXEZZACHSA-N 1 0 226.320 0.548 10 0 BCAERO C[C@H]1NC(=O)CC[C@H]1[NH2+]Cc1cnc[nH]1 ZINC000309095066 177394234 /nfs/dbraw/zinc/39/42/34/177394234.db2.gz CLWXYDFYAXQIIE-VXNVDRBHSA-N 1 0 208.265 0.166 10 0 BCAERO C[C@H]1[NH2+]CCC[C@@H]1C(=O)NCc1ccnn1C ZINC000094648394 177394958 /nfs/dbraw/zinc/39/49/58/177394958.db2.gz UYLNZYMEFKROBR-KOLCDFICSA-N 1 0 236.319 0.424 10 0 BCAERO C[C@H]1[NH2+]CCC[C@H]1Nc1ccc(C(N)=O)cn1 ZINC000229610019 177396406 /nfs/dbraw/zinc/39/64/06/177396406.db2.gz MRKBRHMVLKYULS-PSASIEDQSA-N 1 0 234.303 0.733 10 0 BCAERO C[C@H]1OCC[C@H]1[NH2+]C[C@H](O)Cn1cccn1 ZINC000134542122 177407843 /nfs/dbraw/zinc/40/78/43/177407843.db2.gz WAGMVMRPEDBOFG-OUAUKWLOSA-N 1 0 225.292 0.011 10 0 BCAERO C[C@]1(C(=O)N2CCC[C@@H]2CCCO)CC[NH2+]C1 ZINC000062903950 177453113 /nfs/dbraw/zinc/45/31/13/177453113.db2.gz BBZMWXOJBLKNOR-YPMHNXCESA-N 1 0 240.347 0.750 10 0 BCAERO Cc1n[nH]cc1CCCNC(=O)[C@@H]1CC[NH2+]C1 ZINC000062116736 177549308 /nfs/dbraw/zinc/54/93/08/177549308.db2.gz BUVSGXKOVRIPJO-LLVKDONJSA-N 1 0 236.319 0.376 10 0 BCAERO Cc1c(-c2nc(C[C@@H](C)[NH3+])no2)cnn1C ZINC000054161481 177552376 /nfs/dbraw/zinc/55/23/76/177552376.db2.gz CQRZKOCQJINOKP-ZCFIWIBFSA-N 1 0 221.264 0.668 10 0 BCAERO O=C1NC[C@@H](C[N@H+]2[C@@H]3CC[C@H]2CC(=O)C3)O1 ZINC000497104893 226322501 /nfs/dbraw/zinc/32/25/01/226322501.db2.gz DNVLBPVLIBOMNF-XKSSXDPKSA-N 1 0 224.260 0.291 10 0 BCAERO C[C@H]1C[C@H](O)C[N@H+](CCCn2ccnc2)C1 ZINC000401505812 226358721 /nfs/dbraw/zinc/35/87/21/226358721.db2.gz RXWMEIAYNAQIIU-RYUDHWBXSA-N 1 0 223.320 0.976 10 0 BCAERO C[C@H]1C[C@@H](O)C[N@H+](Cc2cccnc2N)C1 ZINC000401898028 226362902 /nfs/dbraw/zinc/36/29/02/226362902.db2.gz LOMQZEOEPUFZOV-GXSJLCMTSA-N 1 0 221.304 0.867 10 0 BCAERO C[C@]1(C(=O)N[C@@H]2CCC[C@@H](O)C2)CC[NH2+]C1 ZINC000219821065 487659884 /nfs/dbraw/zinc/65/98/84/487659884.db2.gz CFTJABLYJXWUEI-FOGDFJRCSA-N 1 0 226.320 0.406 10 0 BCAERO C[C@@H]1CO[C@H](CO)C[N@@H+]1C[C@@H]1CCC[C@H](O)C1 ZINC000383668487 487660577 /nfs/dbraw/zinc/66/05/77/487660577.db2.gz LEKJORWGTOEPOM-NDBYEHHHSA-N 1 0 243.347 0.619 10 0 BCAERO C[C@@H](O)CCNC(=O)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000087620069 487672896 /nfs/dbraw/zinc/67/28/96/487672896.db2.gz SXUJJYLLLOYWET-ZWNOBZJWSA-N 1 0 248.326 0.761 10 0 BCAERO C[C@H](NC[C@H]1CCC[NH2+]C1)C(=O)N(C)C ZINC000087646467 487673720 /nfs/dbraw/zinc/67/37/20/487673720.db2.gz SCWCCVPBCIOIAX-UWVGGRQHSA-N 1 0 213.325 0.052 10 0 BCAERO C[NH2+][C@H](C)C(=O)N[C@@H](C)[C@@H]1CCCO1 ZINC000054072228 487681260 /nfs/dbraw/zinc/68/12/60/487681260.db2.gz FLQWRWZVZYUIIN-YIZRAAEISA-N 1 0 200.282 0.278 10 0 BCAERO CC(C)[C@H](C)NC(=O)COC1(C)C[NH2+]C1 ZINC000163074135 487683395 /nfs/dbraw/zinc/68/33/95/487683395.db2.gz BDPULFHCJDBQFR-VIFPVBQESA-N 1 0 214.309 0.526 10 0 BCAERO CCN(C[C@@H]1CCOC1)C(=O)[C@@H](C)[NH2+]C ZINC000054075587 487683477 /nfs/dbraw/zinc/68/34/77/487683477.db2.gz ICDIYFSTLQFQHO-ZJUUUORDSA-N 1 0 214.309 0.479 10 0 BCAERO CN(CC1=CCCOC1)C(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000662662265 487687028 /nfs/dbraw/zinc/68/70/28/487687028.db2.gz OTKANKVURDHRIO-NWDGAFQWSA-N 1 0 238.331 0.919 10 0 BCAERO C[NH2+][C@H](C)C(=O)NC[C@]1(C)CCCS1 ZINC000087796816 487688459 /nfs/dbraw/zinc/68/84/59/487688459.db2.gz OTENUYFOANCWBG-SCZZXKLOSA-N 1 0 216.350 0.996 10 0 BCAERO CCN(CC(=O)N(C)C)C(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000097093215 487688174 /nfs/dbraw/zinc/68/81/74/487688174.db2.gz GVWNLEPGJSISJU-VHSXEESVSA-N 1 0 241.335 0.051 10 0 BCAERO [NH3+]C1(C(=O)N[C@H]2CCC[C@@H](O)C2)CCC1 ZINC000088050447 487696261 /nfs/dbraw/zinc/69/62/61/487696261.db2.gz MKHHZIRTGTXGJP-DTWKUNHWSA-N 1 0 212.293 0.288 10 0 BCAERO CC(C)(O)C[NH2+]C[C@@H]1CCCC[C@@H]1O ZINC000082995155 487696734 /nfs/dbraw/zinc/69/67/34/487696734.db2.gz VGASMOHLMMBQLD-UWVGGRQHSA-N 1 0 201.310 0.898 10 0 BCAERO [NH3+]C1(C(=O)NCC[C@@H]2CCCO2)CCC1 ZINC000088050653 487697037 /nfs/dbraw/zinc/69/70/37/487697037.db2.gz MXZGPEBBIRRPPJ-VIFPVBQESA-N 1 0 212.293 0.553 10 0 BCAERO CC(C)(O)C[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000398825611 262770965 /nfs/dbraw/zinc/77/09/65/262770965.db2.gz GIKAXVQDRQSAEG-GARJFASQSA-N 1 0 213.321 0.850 10 0 BCAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)N1CCSCC1 ZINC000084309076 487705044 /nfs/dbraw/zinc/70/50/44/487705044.db2.gz VTADLBNXAYWLGK-NXEZZACHSA-N 1 0 228.361 0.937 10 0 BCAERO CN1CCO[C@@H](C[N@H+](C)[C@@H]2CCC[C@H]2O)C1 ZINC000671715949 487704845 /nfs/dbraw/zinc/70/48/45/487704845.db2.gz DURBLZLWJPVHRW-IJLUTSLNSA-N 1 0 228.336 0.162 10 0 BCAERO Cc1c(CNC[C@@H]2CCCC[NH2+]2)cnn1C ZINC000226302418 487708456 /nfs/dbraw/zinc/70/84/56/487708456.db2.gz PHSHFIRLOPEIAK-LBPRGKRZSA-N 1 0 222.336 0.960 10 0 BCAERO CCC[C@@H]1C[C@H]1[NH2+]C[C@@H](O)CN1CCOCC1 ZINC000233306612 487708553 /nfs/dbraw/zinc/70/85/53/487708553.db2.gz DRBWETBCHHSXFK-JHJVBQTASA-N 1 0 242.363 0.458 10 0 BCAERO COC[C@H](C)NC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054290057 487708631 /nfs/dbraw/zinc/70/86/31/487708631.db2.gz VRLXCBAUVLTSOR-UWVGGRQHSA-N 1 0 214.309 0.527 10 0 BCAERO CCC[C@@H]1C[C@@H]1NC(=O)CN1CC[NH2+]CC1 ZINC000233302429 487708656 /nfs/dbraw/zinc/70/86/56/487708656.db2.gz YJVJHNZWHDOUPR-MNOVXSKESA-N 1 0 225.336 0.196 10 0 BCAERO CC(=O)N[C@H]1CC[N@@H+]([C@@H]2CCC[C@H]2O)C1 ZINC000226290591 487708799 /nfs/dbraw/zinc/70/87/99/487708799.db2.gz ONBQUFGFKVBUAN-HBNTYKKESA-N 1 0 212.293 0.110 10 0 BCAERO CC1(OCC(=O)NCC[C@H]2CCCO2)C[NH2+]C1 ZINC000098060693 487717869 /nfs/dbraw/zinc/71/78/69/487717869.db2.gz UNMUJAVNJYJBIR-SNVBAGLBSA-N 1 0 242.319 0.050 10 0 BCAERO CCN(C[C@@H]1CCOC1)C(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000233482606 487721244 /nfs/dbraw/zinc/72/12/44/487721244.db2.gz LSPKBGARGQPOBA-GRYCIOLGSA-N 1 0 240.347 0.727 10 0 BCAERO C[C@@H](NC(=O)CC(C)(C)[NH3+])[C@@H]1CCCO1 ZINC000082771830 487729803 /nfs/dbraw/zinc/72/98/03/487729803.db2.gz LZGZEMABSWBUDI-BDAKNGLRSA-N 1 0 214.309 0.798 10 0 BCAERO CN(C[C@@H]1CCCO1)C(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000250367850 487730563 /nfs/dbraw/zinc/73/05/63/487730563.db2.gz GNOLFQPKVZLQRI-SRVKXCTJSA-N 1 0 240.347 0.999 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)N(C)C[C@@H]1CCOC1 ZINC000398913970 487736378 /nfs/dbraw/zinc/73/63/78/487736378.db2.gz IXXNKRPVFJMQDT-WDEREUQCSA-N 1 0 228.336 0.855 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N[C@@H]1CCC[C@H](O)C1 ZINC000250629185 487736749 /nfs/dbraw/zinc/73/67/49/487736749.db2.gz CKBOOEGYWGYHCY-USZNOCQGSA-N 1 0 240.347 0.781 10 0 BCAERO CC(C)[C@@H]([NH3+])CC(=O)N1CCn2ccnc2C1 ZINC000136457354 487737206 /nfs/dbraw/zinc/73/72/06/487737206.db2.gz SAQUMGVICJQKPJ-JTQLQIEISA-N 1 0 236.319 0.599 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[C@H]1O ZINC000250632351 487737472 /nfs/dbraw/zinc/73/74/72/487737472.db2.gz DGWYXWOETFUXJC-FIQHERPVSA-N 1 0 240.347 0.639 10 0 BCAERO CC(C)n1ccc(Cn2cc(C[NH3+])nn2)n1 ZINC000082867026 487741932 /nfs/dbraw/zinc/74/19/32/487741932.db2.gz CCWLSOGWOVSWOR-UHFFFAOYSA-N 1 0 220.280 0.563 10 0 BCAERO C[C@H]1C[NH2+]CCN1C(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000250846399 487742477 /nfs/dbraw/zinc/74/24/77/487742477.db2.gz IBVVJHGKLKCGAH-MMWGEVLESA-N 1 0 208.305 0.853 10 0 BCAERO C[C@@H]1C[NH+](CC2(O)CCC2)C[C@@H](C)C1O ZINC000661622145 487756256 /nfs/dbraw/zinc/75/62/56/487756256.db2.gz RIBIYXMTBMFZAK-NXEZZACHSA-N 1 0 213.321 0.850 10 0 BCAERO [NH3+]C[C@H]1CCC[C@H]1NC(=O)Cc1ccncc1 ZINC000089091171 487760968 /nfs/dbraw/zinc/76/09/68/487760968.db2.gz WMGBKQHQXVIJPW-VXGBXAGGSA-N 1 0 233.315 0.868 10 0 BCAERO O=C(C[C@@H]1CCC[NH2+]C1)NC[C@@H]1CCC[C@H]1O ZINC000089170068 487765012 /nfs/dbraw/zinc/76/50/12/487765012.db2.gz BNBFMPULSVWQTB-SDDRHHMPSA-N 1 0 240.347 0.653 10 0 BCAERO CCc1cc(NC[C@@H]2COCC[NH2+]2)nc(C)n1 ZINC000234166629 487766186 /nfs/dbraw/zinc/76/61/86/487766186.db2.gz DAMNXFULSWNHKJ-LLVKDONJSA-N 1 0 236.319 0.748 10 0 BCAERO CCc1cc(C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)n(C)n1 ZINC000234170405 487768333 /nfs/dbraw/zinc/76/83/33/487768333.db2.gz QZEDPKZELPKYBS-PSASIEDQSA-N 1 0 236.319 0.402 10 0 BCAERO CC[C@H](O)C[NH2+]C[C@@H]1CCCC[C@@H]1O ZINC000082994914 487769529 /nfs/dbraw/zinc/76/95/29/487769529.db2.gz QUAGMYPJOFPVOL-DCAQKATOSA-N 1 0 201.310 0.898 10 0 BCAERO [NH3+]CCCCC(=O)NC[C@H]1CCCC[C@@H]1O ZINC000082995372 487769655 /nfs/dbraw/zinc/76/96/55/487769655.db2.gz WPJQSXYYTBKXEB-MNOVXSKESA-N 1 0 228.336 0.783 10 0 BCAERO C[C@@H](O)CC[NH2+]C[C@@H](O)C(F)(F)F ZINC000082996440 487769060 /nfs/dbraw/zinc/76/90/60/487769060.db2.gz FVRLEGUQCBVTSD-PHDIDXHHSA-N 1 0 201.188 0.270 10 0 BCAERO CN1CCN(c2ccncc2Cl)[C@@H](C[NH3+])C1 ZINC000226622557 487778128 /nfs/dbraw/zinc/77/81/28/487778128.db2.gz KBWLZJSMPQVEIT-VIFPVBQESA-N 1 0 240.738 0.814 10 0 BCAERO OCCC[N@H+](CCO)C[C@@H]1CCC[C@H](O)C1 ZINC000385319106 487780691 /nfs/dbraw/zinc/78/06/91/487780691.db2.gz AWLSDNVBXMYQIR-NEPJUHHUSA-N 1 0 231.336 0.214 10 0 BCAERO CC(C)C[C@@H]([NH3+])C(=O)NCCOCCF ZINC000663005888 487805116 /nfs/dbraw/zinc/80/51/16/487805116.db2.gz ZJXPBCJDUPECGV-SECBINFHSA-N 1 0 220.288 0.462 10 0 BCAERO CC[C@@H]1COCCN1C(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089451163 487816277 /nfs/dbraw/zinc/81/62/77/487816277.db2.gz OLXSSOZEQXGUOH-UTUOFQBUSA-N 1 0 240.347 0.999 10 0 BCAERO CCN1CCN(C(=O)[C@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000089449813 487817145 /nfs/dbraw/zinc/81/71/45/487817145.db2.gz BESPJRYKIPFIBA-NEPJUHHUSA-N 1 0 239.363 0.526 10 0 BCAERO Cn1cc(NC(=O)[C@@H]2CCC[C@H]2C[NH3+])ccc1=O ZINC000089455037 487819047 /nfs/dbraw/zinc/81/90/47/487819047.db2.gz PSAWIEOGHRIGSS-GXSJLCMTSA-N 1 0 249.314 0.699 10 0 BCAERO Cc1nccc(CNC(=O)[C@@H]2CCC[C@@H]2C[NH3+])n1 ZINC000089458170 487819690 /nfs/dbraw/zinc/81/96/90/487819690.db2.gz FLUXBWAMZHBKBJ-ZYHUDNBSSA-N 1 0 248.330 0.776 10 0 BCAERO Cc1noc(CNC(=O)[C@@H]2CCC[C@@H]2C[NH3+])n1 ZINC000089458160 487819763 /nfs/dbraw/zinc/81/97/63/487819763.db2.gz ZIGXTMZLIUFDSE-RKDXNWHRSA-N 1 0 238.291 0.369 10 0 BCAERO Cn1ccnc1CNC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000089462357 487822555 /nfs/dbraw/zinc/82/25/55/487822555.db2.gz VVBZLBZCMRHWTB-UWVGGRQHSA-N 1 0 236.319 0.411 10 0 BCAERO COc1ccc(C[NH2+][C@@H]2CCNC2=O)cc1F ZINC000676234517 487825986 /nfs/dbraw/zinc/82/59/86/487825986.db2.gz BCWSPXYJJRWXPN-SNVBAGLBSA-N 1 0 238.262 0.812 10 0 BCAERO C[NH2+][C@H](C)CNC(=O)CC[C@@H](C)OC ZINC000234427025 487826091 /nfs/dbraw/zinc/82/60/91/487826091.db2.gz DXVWEWKORDLXNS-RKDXNWHRSA-N 1 0 202.298 0.526 10 0 BCAERO C[C@@H](C(=O)NCC[C@H]1CCCO1)[C@H](C)[NH3+] ZINC000252853103 487836015 /nfs/dbraw/zinc/83/60/15/487836015.db2.gz IYNDXQCWJVHHGI-KXUCPTDWSA-N 1 0 214.309 0.655 10 0 BCAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+][C@@H]1CO[C@@H](C2CC2)C1 ZINC000668103328 487839302 /nfs/dbraw/zinc/83/93/02/487839302.db2.gz IKUMMNZSTODWLQ-PDEGPIFNSA-N 1 0 238.331 0.811 10 0 BCAERO C[C@@H]1CCN(c2ncnc3nc[nH]c32)C[C@H]1C[NH3+] ZINC000253184011 487858117 /nfs/dbraw/zinc/85/81/17/487858117.db2.gz GZYWSCVAKQPVPE-RKDXNWHRSA-N 1 0 246.318 0.774 10 0 BCAERO CC[C@H](O)C[N@H+]1C[C@H](C(=O)OC)[C@H](C)C1 ZINC000228755705 640892479 /nfs/dbraw/zinc/89/24/79/640892479.db2.gz SUPQMDSUUQLOHK-UTLUCORTSA-N 1 0 215.293 0.498 10 0 BCAERO O=C(Nc1cc[nH]n1)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000638800722 487865120 /nfs/dbraw/zinc/86/51/20/487865120.db2.gz PIHUAWRNIZBTCS-KWQFWETISA-N 1 0 220.276 0.738 10 0 BCAERO CC[C@](C)(O)C[N@H+](C)C[C@@H]1CN(C)CCO1 ZINC000681950822 487868940 /nfs/dbraw/zinc/86/89/40/487868940.db2.gz CLONNWZOMBDWBH-RYUDHWBXSA-N 1 0 230.352 0.410 10 0 BCAERO COCCN(C)C(=O)C[C@H]([NH3+])C(C)C ZINC000128973596 487875238 /nfs/dbraw/zinc/87/52/38/487875238.db2.gz ARUFAVSJMRDKFH-VIFPVBQESA-N 1 0 202.298 0.465 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)NCC[C@@H](C)O ZINC000129098766 487876007 /nfs/dbraw/zinc/87/60/07/487876007.db2.gz RHAJJTWQOMNFLK-RKDXNWHRSA-N 1 0 202.298 0.247 10 0 BCAERO OCC[C@@H]1CCC[N@@H+]([C@@H]2CCC[C@H]2O)C1 ZINC000227428151 487879691 /nfs/dbraw/zinc/87/96/91/487879691.db2.gz RMEGMAOWXWDYBO-QJPTWQEYSA-N 1 0 213.321 0.994 10 0 BCAERO CN(C(=O)[C@@H]1CCC[C@H]1C[NH3+])[C@@H]1CCOC1 ZINC000227426422 487880891 /nfs/dbraw/zinc/88/08/91/487880891.db2.gz OTAYULSNMLWJON-HBNTYKKESA-N 1 0 226.320 0.609 10 0 BCAERO CC[C@](C)(O)C[N@H+](C)C[C@@H](O)C1CC1 ZINC000682028796 487882235 /nfs/dbraw/zinc/88/22/35/487882235.db2.gz CCUKVHNEYUPYLN-MNOVXSKESA-N 1 0 201.310 0.850 10 0 BCAERO NC(=O)[C@H]([NH3+])Cc1ccc(Cl)s1 ZINC000083144554 644401420 /nfs/dbraw/zinc/40/14/20/644401420.db2.gz IOKJPNZVJQOUMJ-RXMQYKEDSA-N 1 0 204.682 0.757 10 0 BCAERO O=C(CC[C@H]1CCC[NH2+]1)NCc1ccno1 ZINC000309491796 487887492 /nfs/dbraw/zinc/88/74/92/487887492.db2.gz SKZAYURCAAQUFP-SECBINFHSA-N 1 0 223.276 0.823 10 0 BCAERO CCO[C@H](CC)C(=O)NC[C@H]1CC[NH2+]C1 ZINC000309491084 487887520 /nfs/dbraw/zinc/88/75/20/487887520.db2.gz IPUXAMBZKSXZCI-VHSXEESVSA-N 1 0 214.309 0.527 10 0 BCAERO CCO[C@@H](CC)C(=O)NC[C@H]1CC[NH2+]C1 ZINC000309491083 487887834 /nfs/dbraw/zinc/88/78/34/487887834.db2.gz IPUXAMBZKSXZCI-UWVGGRQHSA-N 1 0 214.309 0.527 10 0 BCAERO O=C(NOCC(F)(F)F)[C@H]1CC[NH2+]C1 ZINC000133878896 645867728 /nfs/dbraw/zinc/86/77/28/645867728.db2.gz CSHYVYPZCIDLNG-YFKPBYRVSA-N 1 0 212.171 0.206 10 0 BCAERO CCn1nc(C)cc1C(=O)N1CCC[C@H]([NH3+])C1 ZINC000090124162 487906605 /nfs/dbraw/zinc/90/66/05/487906605.db2.gz AYMWEMYPIDDDCE-JTQLQIEISA-N 1 0 236.319 0.775 10 0 BCAERO O=C(N[C@@H]1CCC[C@H](O)C1)[C@H]1CCC[NH2+]1 ZINC000157543774 487915032 /nfs/dbraw/zinc/91/50/32/487915032.db2.gz FUCGFLITDNYGND-KXUCPTDWSA-N 1 0 212.293 0.158 10 0 BCAERO COC[C@H]([NH3+])C(=O)N1CCC[C@@H](OC(C)C)C1 ZINC000404600385 487928407 /nfs/dbraw/zinc/92/84/07/487928407.db2.gz LNVMNPCHBXIDLL-MNOVXSKESA-N 1 0 244.335 0.376 10 0 BCAERO O=C(N[C@@H]1CCC[C@@H](O)C1)[C@@H]1CCCC[NH2+]1 ZINC000157992038 487932887 /nfs/dbraw/zinc/93/28/87/487932887.db2.gz YJBBSTJBHOEXOJ-MXWKQRLJSA-N 1 0 226.320 0.548 10 0 BCAERO Cc1ocnc1CNC(=O)[C@@]1(C)CCC[NH2+]1 ZINC000158070908 487938833 /nfs/dbraw/zinc/93/88/33/487938833.db2.gz AKIMWZHJRFNBNA-LLVKDONJSA-N 1 0 223.276 0.741 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)O2 ZINC000235285296 487939545 /nfs/dbraw/zinc/93/95/45/487939545.db2.gz FFRYCGVQCCPQCT-CHWFTXMASA-N 1 0 224.304 0.232 10 0 BCAERO CCC[C@H](C(=O)NC[C@@H](O)C(C)C)[NH+](C)C ZINC000179718419 322820245 /nfs/dbraw/zinc/82/02/45/322820245.db2.gz QXVVLBQQGWFKKT-GHMZBOCLSA-N 1 0 230.352 0.850 10 0 BCAERO Cc1c(CN2CC[C@H]([NH3+])[C@@H](C)C2)cnn1C ZINC000227057595 323007845 /nfs/dbraw/zinc/00/78/45/323007845.db2.gz SRNFJSGVXDESGQ-CABZTGNLSA-N 1 0 222.336 0.898 10 0 BCAERO CN([C@@H]1CCC[NH2+]CC1)S(=O)(=O)C1(C)CC1 ZINC000565247138 323049915 /nfs/dbraw/zinc/04/99/15/323049915.db2.gz WGNVOLOTXFNPHU-SNVBAGLBSA-N 1 0 246.376 0.943 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N1CCc2ccccc2CC1 ZINC000159952667 323055334 /nfs/dbraw/zinc/05/53/34/323055334.db2.gz KYYOFEFQZBRRRE-CYBMUJFWSA-N 1 0 248.326 0.588 10 0 BCAERO CC[C@H](C)C(=O)N1CC[C@H]2OCC[NH2+][C@H]2C1 ZINC000404062004 323104745 /nfs/dbraw/zinc/10/47/45/323104745.db2.gz MKCNAXOEAZMROB-GARJFASQSA-N 1 0 226.320 0.622 10 0 BCAERO COc1ccc(C[NH2+][C@@H]2C[C@H]2CO)cc1O ZINC000309872175 323119243 /nfs/dbraw/zinc/11/92/43/323119243.db2.gz RCDXXNAVYWRPRO-VHSXEESVSA-N 1 0 223.272 0.871 10 0 BCAERO O=C1NC[C@H](C[N@H+]2CCC[C@@H]2CCCO)O1 ZINC000226502098 323151678 /nfs/dbraw/zinc/15/16/78/323151678.db2.gz WVUNRDPMPRXSIS-NXEZZACHSA-N 1 0 228.292 0.332 10 0 BCAERO C[NH+](C)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O ZINC000059773951 323177778 /nfs/dbraw/zinc/17/77/78/323177778.db2.gz VYJCQLFIOYWZQH-RKDXNWHRSA-N 1 0 230.308 0.528 10 0 BCAERO CC(C)n1cc(C[NH2+][C@@H]2C[C@H]2CO)cn1 ZINC000308815661 323178778 /nfs/dbraw/zinc/17/87/78/323178778.db2.gz AOANNAOLSFJORJ-WDEREUQCSA-N 1 0 209.293 0.934 10 0 BCAERO CC[C@H](O)C[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000398853545 323193899 /nfs/dbraw/zinc/19/38/99/323193899.db2.gz NKFJULOTTWGLHS-FIQHERPVSA-N 1 0 213.321 0.850 10 0 BCAERO Cn1nccc1[C@@H](O)[C@H]1CCCC[N@@H+]1C ZINC000521402178 323201192 /nfs/dbraw/zinc/20/11/92/323201192.db2.gz WSBBBVVQCQVRIA-KOLCDFICSA-N 1 0 209.293 0.938 10 0 BCAERO Cn1nccc1[C@@H](O)[C@@H]1CCC[N@H+](C)C1 ZINC000521402190 323201230 /nfs/dbraw/zinc/20/12/30/323201230.db2.gz WYFDRRPMUUFIRH-KOLCDFICSA-N 1 0 209.293 0.795 10 0 BCAERO Cn1nccc1[C@H](O)[C@H]1CCC[N@H+](C)C1 ZINC000521402189 323201246 /nfs/dbraw/zinc/20/12/46/323201246.db2.gz WYFDRRPMUUFIRH-GXSJLCMTSA-N 1 0 209.293 0.795 10 0 BCAERO C[C@H]1CC[C@@H](O)C[N@@H+]1CC(=O)N1CCCC1 ZINC000399260270 323202222 /nfs/dbraw/zinc/20/22/22/323202222.db2.gz STLILEZQFLSASF-WDEREUQCSA-N 1 0 226.320 0.454 10 0 BCAERO C[C@H]1C[N@H+](CCCS(N)(=O)=O)CCS1 ZINC000122616831 324050675 /nfs/dbraw/zinc/05/06/75/324050675.db2.gz NEDMRQKOZWAHBP-QMMMGPOBSA-N 1 0 238.378 0.102 10 0 BCAERO C[N@H+](C[C@@H]1CNC(=O)O1)CC1(O)CCCC1 ZINC000162820040 324113679 /nfs/dbraw/zinc/11/36/79/324113679.db2.gz DFBAQHAFPMRASM-VIFPVBQESA-N 1 0 228.292 0.332 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)N2C[C@@H](C[NH3+])C[C@H]2C)O1 ZINC000251971990 325684103 /nfs/dbraw/zinc/68/41/03/325684103.db2.gz YFNJQEYYLHIMLT-GWOFURMSSA-N 1 0 226.320 0.750 10 0 BCAERO CCN(C)C(=O)CNC(=O)C1CCC([NH3+])CC1 ZINC000083930007 487969737 /nfs/dbraw/zinc/96/97/37/487969737.db2.gz CGSPSHHMHPFVKK-UHFFFAOYSA-N 1 0 241.335 0.098 10 0 BCAERO CC(C)[NH2+]CC(=O)N1[C@H](C)COC[C@H]1C ZINC000566508265 326060026 /nfs/dbraw/zinc/06/00/26/326060026.db2.gz RMQUJWDBABCRJN-NXEZZACHSA-N 1 0 214.309 0.620 10 0 BCAERO C[C@H](CC(N)=O)[NH2+][C@@H](CO)C1CCCCC1 ZINC000309719292 326164981 /nfs/dbraw/zinc/16/49/81/326164981.db2.gz BHJOGVVXIMYUAZ-KOLCDFICSA-N 1 0 228.336 0.781 10 0 BCAERO Cc1cnn(CCNC(=O)[C@H]([NH3+])CC(F)F)c1 ZINC000310088364 326183498 /nfs/dbraw/zinc/18/34/98/326183498.db2.gz PHWIVOKDOAOAHN-MRVPVSSYSA-N 1 0 246.261 0.290 10 0 BCAERO [NH3+][C@H]1CC[C@@H](C(=O)N2CC[C@@H]3OCC[C@@H]3C2)C1 ZINC000567927058 326284709 /nfs/dbraw/zinc/28/47/09/326284709.db2.gz TVQJPRCRMLMTSP-WYUUTHIRSA-N 1 0 238.331 0.751 10 0 BCAERO CS[C@@H](C)CNC(=O)[C@@]1(C)CCC[NH2+]1 ZINC000157948817 326301098 /nfs/dbraw/zinc/30/10/98/326301098.db2.gz YDXQPVIIYORCTQ-WCBMZHEXSA-N 1 0 216.350 0.996 10 0 BCAERO CC[C@H](O)CCNC(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000158085041 326307830 /nfs/dbraw/zinc/30/78/30/326307830.db2.gz JTZYOGUFVUNDKM-DCAQKATOSA-N 1 0 228.336 0.781 10 0 BCAERO Cc1ncc(C[NH2+][C@H]2CCC(=O)N[C@@H]2C)n1C ZINC000568269567 326337885 /nfs/dbraw/zinc/33/78/85/326337885.db2.gz PGTRLWVRMYSNNV-KCJUWKMLSA-N 1 0 236.319 0.485 10 0 BCAERO CCc1nnc(CN2C[C@H](C[NH3+])C[C@@H]2C)n1C ZINC000568512147 326361767 /nfs/dbraw/zinc/36/17/67/326361767.db2.gz ILLPYBDCXISVMJ-UWVGGRQHSA-N 1 0 237.351 0.547 10 0 BCAERO CCc1nnc(CN2C[C@@H](C[NH3+])C[C@@H]2C)n1C ZINC000568512148 326361816 /nfs/dbraw/zinc/36/18/16/326361816.db2.gz ILLPYBDCXISVMJ-VHSXEESVSA-N 1 0 237.351 0.547 10 0 BCAERO C[C@@H]1OCC[C@H]1NC(=O)[C@]1(C)CCC[NH2+]1 ZINC000134259214 487975638 /nfs/dbraw/zinc/97/56/38/487975638.db2.gz UJHVEFHFJCYVAR-NGZCFLSTSA-N 1 0 212.293 0.422 10 0 BCAERO C[C@@H]1C[C@@H]1[NH2+]Cc1ccc(S(N)(=O)=O)o1 ZINC000083967851 487975677 /nfs/dbraw/zinc/97/56/77/487975677.db2.gz DWFOVZDACQZCFU-SVRRBLITSA-N 1 0 230.289 0.425 10 0 BCAERO C[C@@H]1OCC[C@H]1NC(=O)CC1([NH3+])CCC1 ZINC000134254601 487975882 /nfs/dbraw/zinc/97/58/82/487975882.db2.gz GRBMQMBHCRVXNT-DTWKUNHWSA-N 1 0 212.293 0.552 10 0 BCAERO C[C@H]1OCC[C@@H]1NC(=O)CC1([NH3+])CCC1 ZINC000134254620 487975895 /nfs/dbraw/zinc/97/58/95/487975895.db2.gz GRBMQMBHCRVXNT-BDAKNGLRSA-N 1 0 212.293 0.552 10 0 BCAERO C[C@H]1C[C@@H]1[NH2+]Cc1ccc(S(N)(=O)=O)o1 ZINC000083967852 487976838 /nfs/dbraw/zinc/97/68/38/487976838.db2.gz DWFOVZDACQZCFU-XPUUQOCRSA-N 1 0 230.289 0.425 10 0 BCAERO Cn1ncnc1C[NH2+]C[C@H]1CCCC[C@H]1O ZINC000083971202 487976877 /nfs/dbraw/zinc/97/68/77/487976877.db2.gz LZGCOKGTRWFWFK-NXEZZACHSA-N 1 0 224.308 0.456 10 0 BCAERO COC[C@H](C)NC(=O)[C@]1(C)CCC[NH2+]1 ZINC000070618505 487984993 /nfs/dbraw/zinc/98/49/93/487984993.db2.gz OTAAQBDVJGSNEX-WPRPVWTQSA-N 1 0 200.282 0.280 10 0 BCAERO CC1(NC(=O)[C@H]2CC[C@@H]([NH3+])C2)CCOCC1 ZINC000229902850 487986189 /nfs/dbraw/zinc/98/61/89/487986189.db2.gz MKABNZSMFODJGG-VHSXEESVSA-N 1 0 226.320 0.799 10 0 BCAERO CC(C)[C@@H](CO)NC(=O)CC[C@H]1CCC[NH2+]1 ZINC000309561304 487986378 /nfs/dbraw/zinc/98/63/78/487986378.db2.gz LCUWNEBSCDGHQB-GHMZBOCLSA-N 1 0 228.336 0.652 10 0 BCAERO C[C@@H]1OCC[C@@H]1NC(=O)CC(C)(C)[NH3+] ZINC000134552699 487989726 /nfs/dbraw/zinc/98/97/26/487989726.db2.gz JDCPGLSOBJJMIW-YUMQZZPRSA-N 1 0 200.282 0.407 10 0 BCAERO C[C@@H]1OCC[C@H]1NC(=O)C[C@@H]1CC[NH2+]C1 ZINC000134556942 487989946 /nfs/dbraw/zinc/98/99/46/487989946.db2.gz DFBUBLRKTHFMSG-LPEHRKFASA-N 1 0 212.293 0.280 10 0 BCAERO C[C@@H]1OCC[C@H]1NC(=O)CCCC[NH3+] ZINC000134548834 487990194 /nfs/dbraw/zinc/99/01/94/487990194.db2.gz CDJJXBHPFCTVHA-DTWKUNHWSA-N 1 0 200.282 0.409 10 0 BCAERO CC(C)OCCNC(=O)C[C@H]([NH3+])C(C)C ZINC000159144279 487994672 /nfs/dbraw/zinc/99/46/72/487994672.db2.gz OGMGBBBABFTHRD-JTQLQIEISA-N 1 0 216.325 0.901 10 0 BCAERO Cc1nc(C)c(C(=O)N2C[C@H]([NH3+])[C@@H](C)C2)o1 ZINC000235633645 487995537 /nfs/dbraw/zinc/99/55/37/487995537.db2.gz NGWNGQDKIXJSCC-RCOVLWMOSA-N 1 0 223.276 0.711 10 0 BCAERO COC1CC([NH2+]C[C@H]2CC(=O)N(C)C2)C1 ZINC000668615972 488009537 /nfs/dbraw/zinc/00/95/37/488009537.db2.gz CGURTMWMKDDQRR-XNWIYYODSA-N 1 0 212.293 0.232 10 0 BCAERO COC[C@H](C)C[NH2+]C[C@@H]1CC(=O)N(C)C1 ZINC000668616466 488010313 /nfs/dbraw/zinc/01/03/13/488010313.db2.gz NFEGABVLWIFXPR-ZJUUUORDSA-N 1 0 214.309 0.337 10 0 BCAERO O=C(N1CCCCC1)[C@@]1(O)CCC[NH2+]C1 ZINC000212445256 488020622 /nfs/dbraw/zinc/02/06/22/488020622.db2.gz RDGZTTDSBXQVFX-LLVKDONJSA-N 1 0 212.293 0.113 10 0 BCAERO CC(C)[C@@H]([NH3+])CC(=O)N1CCC(CCO)CC1 ZINC000401072761 488026560 /nfs/dbraw/zinc/02/65/60/488026560.db2.gz KVTRBABDOPDBLQ-LBPRGKRZSA-N 1 0 242.363 0.981 10 0 BCAERO Cc1cnn(CCNC(=O)[C@@H]2CCC[C@@H]2[NH3+])c1 ZINC000235939917 488032098 /nfs/dbraw/zinc/03/20/98/488032098.db2.gz DEGXIAXBUYIKKL-MNOVXSKESA-N 1 0 236.319 0.435 10 0 BCAERO CC(=O)N[C@H]1CCCN(C(=O)CC(C)(C)[NH3+])C1 ZINC000084181934 488033552 /nfs/dbraw/zinc/03/35/52/488033552.db2.gz XJMAAQSILDZIKH-JTQLQIEISA-N 1 0 241.335 0.241 10 0 BCAERO NC(=O)[C@]1(O)CCC[N@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000660523669 488036500 /nfs/dbraw/zinc/03/65/00/488036500.db2.gz ZWEKGZQFPNVVRU-NOHGZBONSA-N 1 0 238.331 0.345 10 0 BCAERO CC[C@@H]([NH3+])C(=O)NC[C@@H]1CCC[C@@H]1O ZINC000084238608 488039639 /nfs/dbraw/zinc/03/96/39/488039639.db2.gz SBQWUZWWROOMJC-YIZRAAEISA-N 1 0 200.282 0.001 10 0 BCAERO Cn1nnnc1N[C@H](C[NH3+])C1CCCC1 ZINC000236087480 488040047 /nfs/dbraw/zinc/04/00/47/488040047.db2.gz ODPSMVMLZZCUNO-MRVPVSSYSA-N 1 0 210.285 0.140 10 0 BCAERO CCn1ncnc1C[NH2+]C[C@@H]1CCC[C@@H]1O ZINC000084236685 488040378 /nfs/dbraw/zinc/04/03/78/488040378.db2.gz QFLVNRDAJIYFFK-UWVGGRQHSA-N 1 0 224.308 0.549 10 0 BCAERO O=C1C[C@H]([NH2+]C[C@H]2CCC[C@H]2O)CCCN1 ZINC000084236878 488040779 /nfs/dbraw/zinc/04/07/79/488040779.db2.gz HUHYLEOHTZGRGD-GMTAPVOTSA-N 1 0 226.320 0.406 10 0 BCAERO O=C(C[C@H]1C[NH2+]CCO1)NCC[C@H]1CCCO1 ZINC000091309717 488042006 /nfs/dbraw/zinc/04/20/06/488042006.db2.gz XDRNYTFUSDKLLN-MNOVXSKESA-N 1 0 242.319 0.050 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)N1CCSCC1 ZINC000084309079 488043354 /nfs/dbraw/zinc/04/33/54/488043354.db2.gz VTADLBNXAYWLGK-VHSXEESVSA-N 1 0 228.361 0.937 10 0 BCAERO O=C(CC(F)(F)F)NC[C@H]1COCC[NH2+]1 ZINC000236114197 488042957 /nfs/dbraw/zinc/04/29/57/488042957.db2.gz QXMGZUZRZYYKRG-LURJTMIESA-N 1 0 226.198 0.043 10 0 BCAERO CCN(C)C(=O)[C@@H](C)[NH2+]C[C@@H](O)C(C)(C)C ZINC000304194090 488050857 /nfs/dbraw/zinc/05/08/57/488050857.db2.gz BAEVBYMPWQQAHI-NXEZZACHSA-N 1 0 230.352 0.850 10 0 BCAERO CCN(C)C(=O)[C@H](C)[NH2+]C[C@@H](O)C(C)(C)C ZINC000304194094 488051260 /nfs/dbraw/zinc/05/12/60/488051260.db2.gz BAEVBYMPWQQAHI-VHSXEESVSA-N 1 0 230.352 0.850 10 0 BCAERO C[C@@H]1C[C@@H](O)C[N@H+](CCCC(=O)N(C)C)C1 ZINC000401775466 488065302 /nfs/dbraw/zinc/06/53/02/488065302.db2.gz YSMANMIBADUHQC-GHMZBOCLSA-N 1 0 228.336 0.558 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)NC[C@H]1CCC[C@@H]1O ZINC000129116326 488075605 /nfs/dbraw/zinc/07/56/05/488075605.db2.gz LCAPTKXKSLNXKY-MXWKQRLJSA-N 1 0 228.336 0.637 10 0 BCAERO C[NH2+][C@H](C)C(=O)N1CCC[C@@H](OC)C1 ZINC000230246350 488078197 /nfs/dbraw/zinc/07/81/97/488078197.db2.gz QDHMZNPHOWRRAM-RKDXNWHRSA-N 1 0 200.282 0.232 10 0 BCAERO CN(C[C@H]1CC[N@H+](C)C1)C(=O)CCCCO ZINC000092174438 488085620 /nfs/dbraw/zinc/08/56/20/488085620.db2.gz FEDXOMWHKPHKMG-NSHDSACASA-N 1 0 228.336 0.559 10 0 BCAERO CCC1(NC(=O)[C@@H]([NH3+])COC)CCOCC1 ZINC000389360976 488092920 /nfs/dbraw/zinc/09/29/20/488092920.db2.gz XJMWGZJLCAXROR-VIFPVBQESA-N 1 0 230.308 0.036 10 0 BCAERO Cc1nccc(CNC(=O)C[C@@H]([NH3+])C(C)C)n1 ZINC000136411252 488101471 /nfs/dbraw/zinc/10/14/71/488101471.db2.gz HJFJYURLBFYTEZ-LLVKDONJSA-N 1 0 236.319 0.775 10 0 BCAERO Cc1nccc(CNC(=O)C[C@H]([NH3+])C(C)C)n1 ZINC000136411211 488101630 /nfs/dbraw/zinc/10/16/30/488101630.db2.gz HJFJYURLBFYTEZ-NSHDSACASA-N 1 0 236.319 0.775 10 0 BCAERO COCC[N@H+](C)CCNC(=O)C[C@H]([NH3+])C(C)C ZINC000136454847 488103618 /nfs/dbraw/zinc/10/36/18/488103618.db2.gz YIEDWVOQQYRJPZ-NSHDSACASA-N 1 0 245.367 0.054 10 0 BCAERO CC[C@@H]1C[C@H]([NH2+]C[C@H]2CN(C)CCO2)CO1 ZINC000657348595 488115698 /nfs/dbraw/zinc/11/56/98/488115698.db2.gz AMONRLHMBKCBOD-TUAOUCFPSA-N 1 0 228.336 0.474 10 0 BCAERO CCNC(=O)c1ccc(NC[C@@H](C)[NH2+]C)nn1 ZINC000310231470 488119406 /nfs/dbraw/zinc/11/94/06/488119406.db2.gz PQOXLDYFSFKFOQ-MRVPVSSYSA-N 1 0 237.307 0.246 10 0 BCAERO [NH3+][C@H]1CC[C@@H](C(=O)NCc2c[nH]cn2)C1 ZINC000085014118 488122745 /nfs/dbraw/zinc/12/27/45/488122745.db2.gz UHEHQGIURSJMTB-SFYZADRCSA-N 1 0 208.265 0.153 10 0 BCAERO [NH3+][C@@H]1CC[C@@H](C(=O)NCc2c[nH]cn2)C1 ZINC000085014123 488122655 /nfs/dbraw/zinc/12/26/55/488122655.db2.gz UHEHQGIURSJMTB-HTQZYQBOSA-N 1 0 208.265 0.153 10 0 BCAERO CN(Cc1ncc[nH]1)C(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000085013747 488122728 /nfs/dbraw/zinc/12/27/28/488122728.db2.gz BRNUSZXLFZVXCN-DTWKUNHWSA-N 1 0 222.292 0.496 10 0 BCAERO CCCCOC[C@H](O)C[NH2+]C[C@@H]1CC[C@@H](O)C1 ZINC000227687777 488129407 /nfs/dbraw/zinc/12/94/07/488129407.db2.gz SUAKNIBIBVJBJM-JHJVBQTASA-N 1 0 245.363 0.915 10 0 BCAERO COC1(CC(=O)NCC[C@@H](C)[NH3+])CCC1 ZINC000234587722 488130581 /nfs/dbraw/zinc/13/05/81/488130581.db2.gz XTOMRCHFSNPUAT-SECBINFHSA-N 1 0 214.309 0.799 10 0 BCAERO C[C@@H]1CN(C(=O)CC[C@H]2CCC[NH2+]2)CCO1 ZINC000261566372 487545689 /nfs/dbraw/zinc/54/56/89/487545689.db2.gz DKKFWHUYUGWUNH-GHMZBOCLSA-N 1 0 226.320 0.766 10 0 BCAERO CC(C)([NH3+])CCC(=O)N1CCn2ccnc2C1 ZINC000070088443 487548119 /nfs/dbraw/zinc/54/81/19/487548119.db2.gz DJIVWPKAVDRZHL-UHFFFAOYSA-N 1 0 236.319 0.743 10 0 BCAERO COCCOCCNC(=O)[C@@H]1CCC[NH2+][C@H]1C ZINC000094647909 487548497 /nfs/dbraw/zinc/54/84/97/487548497.db2.gz JKJUGFSZWDCPKT-WDEREUQCSA-N 1 0 244.335 0.154 10 0 BCAERO [NH3+][C@@H]1CC[C@H](C(=O)NCC[C@@H]2CCCO2)C1 ZINC000227798562 487548955 /nfs/dbraw/zinc/54/89/55/487548955.db2.gz KBHGGZSHLGQMIO-AXFHLTTASA-N 1 0 226.320 0.799 10 0 BCAERO [NH3+][C@@H]1CC[C@@H](C(=O)NCC[C@@H]2CCCO2)C1 ZINC000227798557 487549153 /nfs/dbraw/zinc/54/91/53/487549153.db2.gz KBHGGZSHLGQMIO-MXWKQRLJSA-N 1 0 226.320 0.799 10 0 BCAERO C[NH2+][C@@H](C)C(=O)N[C@H]1CCC[C@@H](O)C1 ZINC000227152745 487556283 /nfs/dbraw/zinc/55/62/83/487556283.db2.gz AFUBVCXAZXQQMS-XHNCKOQMSA-N 1 0 200.282 0.014 10 0 BCAERO CO[C@H](C)C[NH2+]CC1(O)CCOCC1 ZINC000167121492 488139845 /nfs/dbraw/zinc/13/98/45/488139845.db2.gz ZVVNYBMNFMLYRS-SECBINFHSA-N 1 0 203.282 0.152 10 0 BCAERO C[NH2+][C@@H](C)C(=O)N[C@H](C)c1ncc(C)o1 ZINC000231742843 487472094 /nfs/dbraw/zinc/47/20/94/487472094.db2.gz VRQBMRHSAJLSEE-JGVFFNPUSA-N 1 0 211.265 0.768 10 0 BCAERO COC[C@H](C)NC(=O)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000019433518 487473292 /nfs/dbraw/zinc/47/32/92/487473292.db2.gz FXMBRHGJEWAFGE-GXFFZTMASA-N 1 0 248.326 0.852 10 0 BCAERO Cc1cnc([C@H](C)NC(=O)CCC[NH3+])o1 ZINC000231744400 487474198 /nfs/dbraw/zinc/47/41/98/487474198.db2.gz HXRIJCGVYVOPKV-QMMMGPOBSA-N 1 0 211.265 0.899 10 0 BCAERO CCN(C)C(=O)[C@H](C)NC(=O)C[C@@H]([NH3+])C(C)C ZINC000231854823 487481982 /nfs/dbraw/zinc/48/19/82/487481982.db2.gz KTCCHHWKNKLJFO-VHSXEESVSA-N 1 0 243.351 0.343 10 0 BCAERO C[NH2+]C[C@H](C)C(=O)N[C@@H]1CCC[C@H](O)C1 ZINC000086066257 487477722 /nfs/dbraw/zinc/47/77/22/487477722.db2.gz IMSSWYMNWWWJOZ-AEJSXWLSSA-N 1 0 214.309 0.262 10 0 BCAERO CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000019482775 487478946 /nfs/dbraw/zinc/47/89/46/487478946.db2.gz ZTHGUAKPECKDKM-IVZWLZJFSA-N 1 0 241.335 0.084 10 0 BCAERO CC(C)[C@@H](CO)NC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000086125731 487485053 /nfs/dbraw/zinc/48/50/53/487485053.db2.gz XOWGFKAVFTYLBE-KXUCPTDWSA-N 1 0 214.309 0.247 10 0 BCAERO CN1CCC[C@H]1C[N@H+](C)CCCCO ZINC000086189543 487489533 /nfs/dbraw/zinc/48/95/33/487489533.db2.gz SEUWXYRIRVIEBW-NSHDSACASA-N 1 0 200.326 0.785 10 0 BCAERO C[C@H](NC(=O)[C@@H]1CC[NH2+][C@@H]1C)[C@@H]1CCCO1 ZINC000086271014 487495220 /nfs/dbraw/zinc/49/52/20/487495220.db2.gz AZGAGUAJPHZBOT-YTWAJWBKSA-N 1 0 226.320 0.668 10 0 BCAERO C[C@@H]1CCN(c2ccc3nnnn3n2)[C@H](C[NH3+])C1 ZINC000300093198 487498856 /nfs/dbraw/zinc/49/88/56/487498856.db2.gz RKHGOZGIIVUXDD-BDAKNGLRSA-N 1 0 247.306 0.083 10 0 BCAERO COc1cc(NC(=O)[C@H]2CC[NH2+]C2)ccn1 ZINC000304593374 487510807 /nfs/dbraw/zinc/51/08/07/487510807.db2.gz PPRPUCBDBZWZSN-QMMMGPOBSA-N 1 0 221.260 0.638 10 0 BCAERO Cc1noc2ncnc(N(C)CCC[NH3+])c12 ZINC000227750062 487518231 /nfs/dbraw/zinc/51/82/31/487518231.db2.gz WJZFYUBEHOCKLO-UHFFFAOYSA-N 1 0 221.264 0.711 10 0 BCAERO OCC1CC([NH2+][C@H]2CO[C@@H](C3CC3)C2)C1 ZINC000668779584 487525007 /nfs/dbraw/zinc/52/50/07/487525007.db2.gz FDKVXFPKEGSJST-DPHRUIKTSA-N 1 0 211.305 0.914 10 0 BCAERO C[NH2+][C@H](C)C(=O)N[C@H](C)C(=O)NC(C)(C)C ZINC000161909695 487525601 /nfs/dbraw/zinc/52/56/01/487525601.db2.gz MNIFGEGXJIHVAL-HTQZYQBOSA-N 1 0 229.324 0.014 10 0 BCAERO CCCCNC(=O)N1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC000404190771 488149293 /nfs/dbraw/zinc/14/92/93/488149293.db2.gz HLTVBFZGOKAKAN-QWRGUYRKSA-N 1 0 241.335 0.559 10 0 BCAERO COC[C@H](C)[NH2+]CC(=O)N(C)CC1CC1 ZINC000379956195 488163063 /nfs/dbraw/zinc/16/30/63/488163063.db2.gz VMYVRZVHRDQNNO-VIFPVBQESA-N 1 0 214.309 0.479 10 0 BCAERO CN(C[C@@H](O)C[NH2+]C[C@H](O)C(C)(C)C)C1CC1 ZINC000324238155 487562262 /nfs/dbraw/zinc/56/22/62/487562262.db2.gz AKLREDSGRMPJAL-RYUDHWBXSA-N 1 0 244.379 0.438 10 0 BCAERO COC[C@H](C)NC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000382151258 487731401 /nfs/dbraw/zinc/73/14/01/487731401.db2.gz PPNKOEFAXCWRQS-LPEHRKFASA-N 1 0 214.309 0.655 10 0 BCAERO CC[C@H](C)[C@@H]([NH3+])C(=O)NCCCCO ZINC000234019122 487757164 /nfs/dbraw/zinc/75/71/64/487757164.db2.gz OTJMEOUAIIJNNO-DTWKUNHWSA-N 1 0 202.298 0.249 10 0 BCAERO CC(C)[C@@H]([NH3+])CC(=O)N[C@@H](C)c1cn[nH]c1 ZINC000229706430 487937355 /nfs/dbraw/zinc/93/73/55/487937355.db2.gz ASVHQAKAGXMBCA-WPRPVWTQSA-N 1 0 224.308 0.960 10 0 BCAERO C[C@H](O)C1CC[NH+](C[C@H]2CNCCO2)CC1 ZINC000235549231 487980828 /nfs/dbraw/zinc/98/08/28/487980828.db2.gz RHSMZNAEMATHNN-CMPLNLGQSA-N 1 0 228.336 0.068 10 0 BCAERO COC(=O)[C@H]([NH3+])[C@H]1CCC[C@@H](OC)C1 ZINC000216398332 488020978 /nfs/dbraw/zinc/02/09/78/488020978.db2.gz CDLZCXGMABRRCJ-DJLDLDEBSA-N 1 0 201.266 0.692 10 0 BCAERO CCC1(NC(=O)[C@@H]2CC[NH2+]C2)CCOCC1 ZINC000389431781 488096320 /nfs/dbraw/zinc/09/63/20/488096320.db2.gz UWOCYKWRSHGSME-SNVBAGLBSA-N 1 0 226.320 0.671 10 0 BCAERO CCc1cc(C(=O)NCC[C@@H](C)[NH3+])n(C)n1 ZINC000085166450 488134791 /nfs/dbraw/zinc/13/47/91/488134791.db2.gz ZGEXIRONHSJZEH-MRVPVSSYSA-N 1 0 224.308 0.450 10 0 BCAERO CCn1cc(CN[C@H](C)[C@@H]2CC[NH2+]C2)nn1 ZINC000404459232 488161995 /nfs/dbraw/zinc/16/19/95/488161995.db2.gz PQQXIUKCLHURGV-NXEZZACHSA-N 1 0 223.324 0.386 10 0 BCAERO CCn1cc(CN[C@@H](C)[C@@H]2CC[NH2+]C2)nn1 ZINC000404459234 488162498 /nfs/dbraw/zinc/16/24/98/488162498.db2.gz PQQXIUKCLHURGV-VHSXEESVSA-N 1 0 223.324 0.386 10 0 BCAERO [NH3+][C@H]1CC[C@@H](C(=O)N2CCCc3n[nH]cc3C2)C1 ZINC000404617372 488172653 /nfs/dbraw/zinc/17/26/53/488172653.db2.gz KWKNCRBVEUJVHK-KOLCDFICSA-N 1 0 248.330 0.812 10 0 BCAERO CC(=O)NCCC[NH2+][C@@H]1CCCC[C@H]1O ZINC000380153403 488175483 /nfs/dbraw/zinc/17/54/83/488175483.db2.gz YGUMUYUHFKJUCR-GHMZBOCLSA-N 1 0 214.309 0.406 10 0 BCAERO CO[C@H](C)CNC(=O)C[C@@H]([NH3+])C(C)C ZINC000223717240 488176970 /nfs/dbraw/zinc/17/69/70/488176970.db2.gz AIMSRDYIMMQGOF-RKDXNWHRSA-N 1 0 202.298 0.511 10 0 BCAERO CO[C@H](C)CNC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000299892529 488193306 /nfs/dbraw/zinc/19/33/06/488193306.db2.gz AEGCPUUDQOLWRY-UTLUCORTSA-N 1 0 214.309 0.513 10 0 BCAERO [NH3+]C1(CC(=O)N[C@@H]2CCC[C@@H](O)C2)CC1 ZINC000398079644 488208051 /nfs/dbraw/zinc/20/80/51/488208051.db2.gz CUMSQCXFSRUBGM-RKDXNWHRSA-N 1 0 212.293 0.288 10 0 BCAERO Cn1ccc(NC(=O)C[C@@H]2CCC[NH2+]C2)n1 ZINC000054307485 488244314 /nfs/dbraw/zinc/24/43/14/488244314.db2.gz GARANMLXIRNNFR-VIFPVBQESA-N 1 0 222.292 0.748 10 0 BCAERO Cc1nccc(CNC(=O)C[C@H]2CCC[NH2+]C2)n1 ZINC000054308305 488244914 /nfs/dbraw/zinc/24/49/14/488244914.db2.gz ZQGRGHIZOJSMCU-LLVKDONJSA-N 1 0 248.330 0.791 10 0 BCAERO CCc1nc(C)cc(NCC[C@H](C)[NH3+])n1 ZINC000336686171 490102201 /nfs/dbraw/zinc/10/22/01/490102201.db2.gz KWRCPDGSEFEIER-QMMMGPOBSA-N 1 0 208.309 1.497 10 0 BCAERO Cc1ccc(CNC2CC[NH+](CCO)CC2)nc1 ZINC000400869317 490129342 /nfs/dbraw/zinc/12/93/42/490129342.db2.gz VPRGBMUMFFRYRB-UHFFFAOYSA-N 1 0 249.358 0.936 10 0 BCAERO Cn1cc(C[NH2+][C@@H]2CCC[C@@H](O)C2)cn1 ZINC000037163919 490146142 /nfs/dbraw/zinc/14/61/42/490146142.db2.gz STZMQWHADUWUSM-GHMZBOCLSA-N 1 0 209.293 0.813 10 0 BCAERO CC[NH2+]CCNc1ncnc2onc(C)c21 ZINC000070824651 490156387 /nfs/dbraw/zinc/15/63/87/490156387.db2.gz BYTZTDDLDAVRIJ-UHFFFAOYSA-N 1 0 221.264 0.948 10 0 BCAERO Nc1ncncc1OCC1CC[NH2+]CC1 ZINC000584637461 490203225 /nfs/dbraw/zinc/20/32/25/490203225.db2.gz ZMUWKZSGOUNUGP-UHFFFAOYSA-N 1 0 208.265 0.437 10 0 BCAERO Cc1nn(C)cc1C(=O)N1CC[C@@H]([NH3+])[C@@H]1C ZINC000390601644 490282084 /nfs/dbraw/zinc/28/20/84/490282084.db2.gz WBPDIZZXDHVFHA-WCBMZHEXSA-N 1 0 222.292 0.290 10 0 BCAERO O=C(C[C@H]1CCC[NH2+]C1)NCc1c[nH]cn1 ZINC000084081107 490365178 /nfs/dbraw/zinc/36/51/78/490365178.db2.gz STKAEVJLWFKMQE-SECBINFHSA-N 1 0 222.292 0.416 10 0 BCAERO CC[C@@H]([NH3+])C(=O)NC[C@@H]1CCCC[C@H]1O ZINC000084202232 490380453 /nfs/dbraw/zinc/38/04/53/490380453.db2.gz RSVMWWOKRSNQSY-IVZWLZJFSA-N 1 0 214.309 0.391 10 0 BCAERO OCC[C@H]1CC[N@@H+]([C@@H]2CCCC[C@H]2O)C1 ZINC000125877840 490467326 /nfs/dbraw/zinc/46/73/26/490467326.db2.gz QZWQSHLQJATTLB-IJLUTSLNSA-N 1 0 213.321 0.994 10 0 BCAERO C[C@@H](C[NH2+]CC1=CCCOC1)N1CCOCC1 ZINC000126347766 490491465 /nfs/dbraw/zinc/49/14/65/490491465.db2.gz DEQBXJXKCOSQCB-LBPRGKRZSA-N 1 0 240.347 0.643 10 0 BCAERO Cc1cnn(CC[NH2+][C@H]2CCCOC2)c1 ZINC000227080484 491054850 /nfs/dbraw/zinc/05/48/50/491054850.db2.gz LATVNXLZBDXDHL-NSHDSACASA-N 1 0 209.293 0.960 10 0 BCAERO C[C@H](CS(C)(=O)=O)[NH2+][C@@H]1CCC[C@@H](O)C1 ZINC000226892611 491052593 /nfs/dbraw/zinc/05/25/93/491052593.db2.gz VTKYDNSPLCFKLR-OPRDCNLKSA-N 1 0 235.349 0.313 10 0 BCAERO C[C@@H]1CC[C@H](O)C[N@@H+]1C[C@@H]1CCCN1C ZINC000399327743 491061455 /nfs/dbraw/zinc/06/14/55/491061455.db2.gz MRKVPKSLVJWMOK-WOPDTQHZSA-N 1 0 212.337 0.926 10 0 BCAERO CCCCOC[C@H](O)C[NH2+][C@@H](C)COC ZINC000227886929 491066724 /nfs/dbraw/zinc/06/67/24/491066724.db2.gz YMWWKPOPYBLHIB-WDEREUQCSA-N 1 0 219.325 0.789 10 0 BCAERO C[NH2+][C@@H](C)CNS(=O)(=O)Cc1cc(C)on1 ZINC000304313143 491109969 /nfs/dbraw/zinc/10/99/69/491109969.db2.gz QWAPSPXQZWMHFJ-ZETCQYMHSA-N 1 0 247.320 0.010 10 0 BCAERO CC(C)[C@@H]([NH3+])CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000136291248 491111842 /nfs/dbraw/zinc/11/18/42/491111842.db2.gz CWCDHVWGMWFYDP-ZJUUUORDSA-N 1 0 241.335 0.084 10 0 BCAERO CC(C)([NH3+])CC(=O)N[C@H]1CCC[C@H](O)C1 ZINC000082771936 491112460 /nfs/dbraw/zinc/11/24/60/491112460.db2.gz HKWOCWMMQFCSCC-IUCAKERBSA-N 1 0 214.309 0.534 10 0 BCAERO CC(C)[C@H](C)[N@@H+]1CC[C@H](O)[C@H](CO)C1 ZINC000307295311 491115753 /nfs/dbraw/zinc/11/57/53/491115753.db2.gz HGPDLCSQTORPPC-DCAQKATOSA-N 1 0 201.310 0.706 10 0 BCAERO COC[C@@H](C)CNC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634747739 491126488 /nfs/dbraw/zinc/12/64/88/491126488.db2.gz XJZOGKMVOIULFT-GVXVVHGQSA-N 1 0 240.347 0.775 10 0 BCAERO CO[C@@H]1CCCC[C@@]1(C[NH3+])OCCO ZINC000300214417 582496862 /nfs/dbraw/zinc/49/68/62/582496862.db2.gz QWBKEYGGPCTROU-ZJUUUORDSA-N 1 0 203.282 0.282 10 0 BCAERO CCOC[C@@H](O)c1nc(C)c(C[NH3+])s1 ZINC000757124833 582499118 /nfs/dbraw/zinc/49/91/18/582499118.db2.gz DEQZKRVEEZWVBU-SSDOTTSWSA-N 1 0 216.306 0.980 10 0 BCAERO [NH3+]Cc1c(Br)nnn1C1CC1 ZINC000757138531 582518140 /nfs/dbraw/zinc/51/81/40/582518140.db2.gz XIGDWLRECYGMIL-UHFFFAOYSA-N 1 0 217.070 0.834 10 0 BCAERO CCOc1cc(N2CC[C@H]2C[NH3+])ncn1 ZINC000757139113 582518491 /nfs/dbraw/zinc/51/84/91/582518491.db2.gz AAVGIVDAGCKXOQ-QMMMGPOBSA-N 1 0 208.265 0.413 10 0 BCAERO [NH3+]C[C@H]1CCN1c1ccn2nccc2n1 ZINC000757140832 582521546 /nfs/dbraw/zinc/52/15/46/582521546.db2.gz FPZNZSDFJUBGOJ-MRVPVSSYSA-N 1 0 203.249 0.267 10 0 BCAERO CCCn1ncnc1CN1CC[C@H]1C[NH3+] ZINC000757141386 582521878 /nfs/dbraw/zinc/52/18/78/582521878.db2.gz CVSLCAXYGFNKAB-VIFPVBQESA-N 1 0 209.297 0.221 10 0 BCAERO [NH3+]C[C@H]1CCN1c1cnc2c(n1)CCC2 ZINC000757143627 582523824 /nfs/dbraw/zinc/52/38/24/582523824.db2.gz HJNVYWVCPXMGHX-MRVPVSSYSA-N 1 0 204.277 0.503 10 0 BCAERO [NH3+]C[C@@H]1CCN1c1nccnc1C1CC1 ZINC000757145194 582528091 /nfs/dbraw/zinc/52/80/91/582528091.db2.gz KSXWHCWOORZGGG-VIFPVBQESA-N 1 0 204.277 0.891 10 0 BCAERO [NH3+]C[C@H]1CCN1c1nccnc1C1CC1 ZINC000757145189 582528271 /nfs/dbraw/zinc/52/82/71/582528271.db2.gz KSXWHCWOORZGGG-SECBINFHSA-N 1 0 204.277 0.891 10 0 BCAERO CN1CCOC[C@]12C[NH2+]C1(CCCC1)OC2 ZINC000757148340 582532920 /nfs/dbraw/zinc/53/29/20/582532920.db2.gz UEHITMCCXBIULI-NSHDSACASA-N 1 0 226.320 0.577 10 0 BCAERO COC[C@@H]1CCO[C@@]2(CCCOCC2)[NH2+]1 ZINC000757150586 582534506 /nfs/dbraw/zinc/53/45/06/582534506.db2.gz ROHJQLICLXRCKP-WDEREUQCSA-N 1 0 215.293 0.908 10 0 BCAERO C[C@]([NH3+])(CC(N)=O)C1CCSCC1 ZINC000757152932 582537251 /nfs/dbraw/zinc/53/72/51/582537251.db2.gz BWWWSOLFUMIIPI-VIFPVBQESA-N 1 0 202.323 0.722 10 0 BCAERO Cc1ccoc1CSC[C@H]([NH3+])C(N)=O ZINC000757167579 582549017 /nfs/dbraw/zinc/54/90/17/582549017.db2.gz XFPHPPFKFHFWMH-ZETCQYMHSA-N 1 0 214.290 0.634 10 0 BCAERO O=C([O-])[C@@H]1C[C@H]([C@@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC000757216906 582561954 /nfs/dbraw/zinc/56/19/54/582561954.db2.gz QRVPIVHVBIBYRA-BBBLOLIVSA-N 1 0 212.293 0.439 10 0 BCAERO CCOc1cncc(N2CC[NH2+]C[C@@H]2C)n1 ZINC000070580122 535565685 /nfs/dbraw/zinc/56/56/85/535565685.db2.gz GTAMRHPUKUAXDT-VIFPVBQESA-N 1 0 222.292 0.673 10 0 BCAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@@H]1CCOC1 ZINC000176979075 535589468 /nfs/dbraw/zinc/58/94/68/535589468.db2.gz YGVROPSXEDLUQQ-NEPJUHHUSA-N 1 0 240.347 0.966 10 0 BCAERO CCO[C@H]1CCCN(c2ccc(C[NH3+])nn2)C1 ZINC000051398225 535620980 /nfs/dbraw/zinc/62/09/80/535620980.db2.gz TWBUSWORAMGEKN-NSHDSACASA-N 1 0 236.319 0.941 10 0 BCAERO CCOC(=O)[C@H](CC)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261541556 535648695 /nfs/dbraw/zinc/64/86/95/535648695.db2.gz BHUMVCMETGYWPG-YFKTTZPYSA-N 1 0 240.347 0.997 10 0 BCAERO CC[C@](C)(O)C[N@@H+]1CC[C@@H]([C@@H](C)O)C1 ZINC000229875602 535848008 /nfs/dbraw/zinc/84/80/08/535848008.db2.gz AEYZMYAKCIKLNA-MXWKQRLJSA-N 1 0 201.310 0.850 10 0 BCAERO CCc1nc(C)cc(NC[C@@H]2C[NH2+]CCO2)n1 ZINC000261548548 536126441 /nfs/dbraw/zinc/12/64/41/536126441.db2.gz JOYPNTMDBWRYTE-JTQLQIEISA-N 1 0 236.319 0.748 10 0 BCAERO CC(C)C(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725259196 582798736 /nfs/dbraw/zinc/79/87/36/582798736.db2.gz MJOAIRZWPKBIFC-UHFFFAOYSA-N 1 0 208.265 0.622 10 0 BCAERO CC(=O)NCc1nc([C@@H]2CCC[NH2+]C2)no1 ZINC000229018640 519678880 /nfs/dbraw/zinc/67/88/80/519678880.db2.gz ZXICSTIUWGLEPO-MRVPVSSYSA-N 1 0 224.264 0.173 10 0 BCAERO CC(=O)NCc1nc(C2CC[NH2+]CC2)no1 ZINC000229018535 519679031 /nfs/dbraw/zinc/67/90/31/519679031.db2.gz OPLJWRPGNSJTNM-UHFFFAOYSA-N 1 0 224.264 0.173 10 0 BCAERO C[NH2+][C@@H](C)CNc1nc(OC)cc(OC)n1 ZINC000261568691 536344868 /nfs/dbraw/zinc/34/48/68/536344868.db2.gz FTEOFVUYIQXVQY-ZETCQYMHSA-N 1 0 226.280 0.514 10 0 BCAERO CCCc1cc(NN)[nH+]c(NCCOC)n1 ZINC000057331655 521382038 /nfs/dbraw/zinc/38/20/38/521382038.db2.gz NMLCKMVSFJAXGX-UHFFFAOYSA-N 1 0 225.296 0.773 10 0 BCAERO CC[C@@H](C)[NH2+]CC(=O)NC[C@H]1CCCOC1 ZINC000038046190 522229000 /nfs/dbraw/zinc/22/90/00/522229000.db2.gz OCZZCDZYTREYGB-GHMZBOCLSA-N 1 0 228.336 0.917 10 0 BCAERO COC(OC)c1cc(N2CCC[NH2+]CC2)n[nH]1 ZINC000057354352 522537950 /nfs/dbraw/zinc/53/79/50/522537950.db2.gz UXAHVKQTBYFZCH-UHFFFAOYSA-N 1 0 240.307 0.501 10 0 BCAERO Cc1ccc(CNC(=O)CN2CC[C@H]([NH3+])C2)o1 ZINC000229005499 524504005 /nfs/dbraw/zinc/50/40/05/524504005.db2.gz JQPUDUHRGWZQMM-JTQLQIEISA-N 1 0 237.303 0.237 10 0 BCAERO C[C@]([NH3+])(CCCCn1ccnc1)C(N)=O ZINC000045431676 582878282 /nfs/dbraw/zinc/87/82/82/582878282.db2.gz ZQNFVVQGXKABKJ-JTQLQIEISA-N 1 0 210.281 0.256 10 0 BCAERO Cc1cc(C)n(CC[C@@](C)([NH3+])C(N)=O)n1 ZINC000045433834 582879013 /nfs/dbraw/zinc/87/90/13/582879013.db2.gz UHKNVIZRCVJGFN-SNVBAGLBSA-N 1 0 210.281 0.093 10 0 BCAERO C[C@]([NH3+])(CCCCn1cccn1)C(N)=O ZINC000045434582 582879088 /nfs/dbraw/zinc/87/90/88/582879088.db2.gz FHNNOXNSDYZYIY-JTQLQIEISA-N 1 0 210.281 0.256 10 0 BCAERO CC[NH2+][C@@](C)(CCn1cccn1)C(N)=O ZINC000045435235 582879374 /nfs/dbraw/zinc/87/93/74/582879374.db2.gz DNELAUMXAARUID-JTQLQIEISA-N 1 0 210.281 0.127 10 0 BCAERO NC(=O)[C@@H](Cn1cc(Cl)cn1)[NH2+]C1CC1 ZINC000045436549 582879498 /nfs/dbraw/zinc/87/94/98/582879498.db2.gz IFLXZWYSVKVTPE-MRVPVSSYSA-N 1 0 228.683 0.142 10 0 BCAERO C[NH2+]CC(=O)NC[C@@H]1CCO[C@H]1C(C)C ZINC000261550896 536441069 /nfs/dbraw/zinc/44/10/69/536441069.db2.gz PXCBNYNSUIQCHO-ONGXEEELSA-N 1 0 214.309 0.383 10 0 BCAERO C[NH2+]C[C@@H]1CCCN1CC(=O)N(C)C(C)C ZINC000169277293 536457781 /nfs/dbraw/zinc/45/77/81/536457781.db2.gz NPEKAOXNNCAAJJ-NSHDSACASA-N 1 0 227.352 0.537 10 0 BCAERO CN(Cc1cc[nH]n1)C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261693309 536462388 /nfs/dbraw/zinc/46/23/88/536462388.db2.gz HVFGDPQUQPMIFC-MWLCHTKSSA-N 1 0 236.319 0.743 10 0 BCAERO CN(Cc1cc[nH]n1)C(=O)[C@H]1CCC[NH2+]C1 ZINC000334643050 536462687 /nfs/dbraw/zinc/46/26/87/536462687.db2.gz CEMVQOXOVSQXKH-VIFPVBQESA-N 1 0 222.292 0.368 10 0 BCAERO COC(=O)CN1C[C@@H]2CCCC[N@@H+]2C[C@H]1C ZINC000252662481 536473119 /nfs/dbraw/zinc/47/31/19/536473119.db2.gz ZQZLPVNGZRCIAX-MNOVXSKESA-N 1 0 226.320 0.718 10 0 BCAERO NC(=S)NCCC[NH+]1CCCCC1 ZINC000143662264 527110236 /nfs/dbraw/zinc/11/02/36/527110236.db2.gz SCXMWVQLEGHRDM-UHFFFAOYSA-N 1 0 201.339 0.696 10 0 BCAERO COC[C@@H](C)[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000173699546 536521510 /nfs/dbraw/zinc/52/15/10/536521510.db2.gz BHMJKRIAYKXYTR-MNOVXSKESA-N 1 0 224.308 0.950 10 0 BCAERO CC(C)CNC(=O)[C@H](C)[N@@H+]1C[C@H](C)C[C@H](O)C1 ZINC000401657489 528056466 /nfs/dbraw/zinc/05/64/66/528056466.db2.gz NXGKVDNPNPXAQL-WOPDTQHZSA-N 1 0 242.363 0.850 10 0 BCAERO CCOC(=O)COCC[N@@H+]1C[C@H](C)C[C@@H](O)C1 ZINC000401616563 528823590 /nfs/dbraw/zinc/82/35/90/528823590.db2.gz NZOAQFHGMRMCEW-GHMZBOCLSA-N 1 0 245.319 0.269 10 0 BCAERO CCOC(=O)COCC[N@@H+]1C[C@H](C)C[C@H](O)C1 ZINC000401616565 528824521 /nfs/dbraw/zinc/82/45/21/528824521.db2.gz NZOAQFHGMRMCEW-MNOVXSKESA-N 1 0 245.319 0.269 10 0 BCAERO COC1(C(=O)N[C@H]2CCCOC2)CC[NH2+]CC1 ZINC000261556478 536540959 /nfs/dbraw/zinc/54/09/59/536540959.db2.gz QUJSLYGCMOWAOB-JTQLQIEISA-N 1 0 242.319 0.050 10 0 BCAERO CC1(C)[C@@H]2CN(C(=O)[C@@H]3CC[NH2+]C3)C[C@@H]21 ZINC000261547734 535039261 /nfs/dbraw/zinc/03/92/61/535039261.db2.gz MRDKRCOZWASNEW-BBBLOLIVSA-N 1 0 208.305 0.710 10 0 BCAERO CC(C)(C[NH3+])C(=O)NCCC1CCOCC1 ZINC000258913147 535065380 /nfs/dbraw/zinc/06/53/80/535065380.db2.gz XKYGEPBJEAXSAC-UHFFFAOYSA-N 1 0 228.336 0.904 10 0 BCAERO CCCN(C(=O)[C@H]([NH3+])COC)C1CC1 ZINC000088002649 535234223 /nfs/dbraw/zinc/23/42/23/535234223.db2.gz FLYXFXWXKHYVGR-SECBINFHSA-N 1 0 200.282 0.361 10 0 BCAERO CC1CCN(C(=O)[C@@H]([NH3+])C2CCOCC2)CC1 ZINC000261735187 535272003 /nfs/dbraw/zinc/27/20/03/535272003.db2.gz KCSFXKUXTFORAO-LBPRGKRZSA-N 1 0 240.347 0.999 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)Nc1c2c(nn1C)CCC2 ZINC000262449571 535348397 /nfs/dbraw/zinc/34/83/97/535348397.db2.gz FDGFVVJLYVHMJV-SECBINFHSA-N 1 0 236.319 0.975 10 0 BCAERO CCC(C)(C)NC(=O)CN1C[C@H](C)[C@H]([NH3+])C1 ZINC000261532431 535356822 /nfs/dbraw/zinc/35/68/22/535356822.db2.gz BKAQFXWRMSPETI-VHSXEESVSA-N 1 0 227.352 0.570 10 0 BCAERO CCO[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000250137063 535431618 /nfs/dbraw/zinc/43/16/18/535431618.db2.gz YGLZLJHCECKLAH-LMLFDSFASA-N 1 0 226.320 0.526 10 0 BCAERO CCO[C@@H]1C[C@@H]1C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000262887653 535432121 /nfs/dbraw/zinc/43/21/21/535432121.db2.gz OFAXWGPHYZGLGS-CHWFTXMASA-N 1 0 226.320 0.668 10 0 BCAERO CCOCCC(=O)N1CCC[C@H]1C[NH3+] ZINC000082590137 535448930 /nfs/dbraw/zinc/44/89/30/535448930.db2.gz GGAKYVZWLSYJNR-VIFPVBQESA-N 1 0 200.282 0.363 10 0 BCAERO CCC[C@@H]1C[C@H]1NC(=O)C[C@H]1C[NH2+]CCO1 ZINC000261534974 535483286 /nfs/dbraw/zinc/48/32/86/535483286.db2.gz UZKCONSWCZOCMU-OUAUKWLOSA-N 1 0 226.320 0.670 10 0 BCAERO CC[NH2+][C@H]1CCCC[C@@H]1n1cc(CO)nn1 ZINC000348153334 535516013 /nfs/dbraw/zinc/51/60/13/535516013.db2.gz SLYWVEHPYUPOJY-QWRGUYRKSA-N 1 0 224.308 0.864 10 0 BCAERO CCOc1cncc(N2CCC[C@H]([NH3+])C2)n1 ZINC000070580073 535563711 /nfs/dbraw/zinc/56/37/11/535563711.db2.gz XTFRWVWWHWTFPN-VIFPVBQESA-N 1 0 222.292 0.803 10 0 BCAERO CCOc1cncc(N2CC[NH2+]CC2)c1 ZINC000013703912 535566134 /nfs/dbraw/zinc/56/61/34/535566134.db2.gz OAKPVSOBMJGPSZ-UHFFFAOYSA-N 1 0 207.277 0.890 10 0 BCAERO CCOc1cncc(N2CC[C@H]([NH3+])[C@H]2C)n1 ZINC000261572457 535566468 /nfs/dbraw/zinc/56/64/68/535566468.db2.gz IFZMFABEARYZEU-BDAKNGLRSA-N 1 0 222.292 0.801 10 0 BCAERO CCOc1cncc(N2C[C@@H](C)[C@H]([NH3+])C2)n1 ZINC000261533396 535566828 /nfs/dbraw/zinc/56/68/28/535566828.db2.gz HWNKABXGGMBICS-RKDXNWHRSA-N 1 0 222.292 0.659 10 0 BCAERO CCOc1cncc(NC[C@@H]2CC[NH2+]C2)n1 ZINC000087655235 535569657 /nfs/dbraw/zinc/56/96/57/535569657.db2.gz KMONNVCSWVSZBY-SECBINFHSA-N 1 0 222.292 0.897 10 0 BCAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)CN(C)C ZINC000177423928 535584624 /nfs/dbraw/zinc/58/46/24/535584624.db2.gz ZORNGBYQEDJLNI-NSHDSACASA-N 1 0 227.352 0.491 10 0 BCAERO CCOCCNC(=O)CC[C@H]1CCC[NH2+]1 ZINC000261531711 535611486 /nfs/dbraw/zinc/61/14/86/535611486.db2.gz HPOPQTWAEGSXIQ-SNVBAGLBSA-N 1 0 214.309 0.671 10 0 BCAERO CCCn1nccc1NC(=O)C[C@@H](C)[NH3+] ZINC000261586656 535634736 /nfs/dbraw/zinc/63/47/36/535634736.db2.gz RHBZVBJJKVBAPA-MRVPVSSYSA-N 1 0 210.281 0.969 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N(C)CCn1cccn1 ZINC000168803413 535674821 /nfs/dbraw/zinc/67/48/21/535674821.db2.gz GUGFLQRLSWLQGX-JTQLQIEISA-N 1 0 224.308 0.469 10 0 BCAERO CCO[C@@H](C)c1nc([C@@H]2C[NH2+]CCN2C)no1 ZINC000263247528 535733609 /nfs/dbraw/zinc/73/36/09/535733609.db2.gz PMBJGTCPEUOVMM-IUCAKERBSA-N 1 0 240.307 0.743 10 0 BCAERO CCc1nnc(C)cc1C(=O)NC[C@@H](C)[NH2+]C ZINC000261551005 535842519 /nfs/dbraw/zinc/84/25/19/535842519.db2.gz LSQXXLYQCJPCLQ-SECBINFHSA-N 1 0 236.319 0.685 10 0 BCAERO CC[C@]1(C)CCCN(C(=O)[C@H]([NH3+])COC)C1 ZINC000262273735 535901137 /nfs/dbraw/zinc/90/11/37/535901137.db2.gz KUOFCQNBWXRXGW-ZYHUDNBSSA-N 1 0 228.336 0.999 10 0 BCAERO CCn1c(C)nnc1CN1CC[NH2+][C@H](C)C1 ZINC000262015945 535974856 /nfs/dbraw/zinc/97/48/56/535974856.db2.gz WCGCLIVPUXPFTB-SECBINFHSA-N 1 0 223.324 0.400 10 0 BCAERO CN(C(=O)Cc1ccsc1)C1C[NH2+]C1 ZINC000085257578 536008258 /nfs/dbraw/zinc/00/82/58/536008258.db2.gz JTMJIMKCTDISEV-UHFFFAOYSA-N 1 0 210.302 0.721 10 0 BCAERO CC[C@H](OC)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000261530049 536014631 /nfs/dbraw/zinc/01/46/31/536014631.db2.gz BTVXELJYNXLXRD-BDAKNGLRSA-N 1 0 200.282 0.361 10 0 BCAERO CN(C(=O)c1ccccc1O)C1C[NH2+]C1 ZINC000085257717 536068593 /nfs/dbraw/zinc/06/85/93/536068593.db2.gz ISTZTKMZDYDNBZ-UHFFFAOYSA-N 1 0 206.245 0.436 10 0 BCAERO CCc1c(C)nc(N2CC[NH2+]CC2)[nH]c1=O ZINC000057329891 536069766 /nfs/dbraw/zinc/06/97/66/536069766.db2.gz KKGVRLJODGGSBY-UHFFFAOYSA-N 1 0 222.292 0.050 10 0 BCAERO CCc1c(C)ncnc1N1CC[NH2+]CC1 ZINC000045950676 536072891 /nfs/dbraw/zinc/07/28/91/536072891.db2.gz XDVUFONBHGUIAR-UHFFFAOYSA-N 1 0 206.293 0.757 10 0 BCAERO CC[C@H]1CCN(C(=O)[C@@H]([NH3+])C2CCOCC2)C1 ZINC000261811525 536082686 /nfs/dbraw/zinc/08/26/86/536082686.db2.gz OSZIXIPLSWTTCI-JQWIXIFHSA-N 1 0 240.347 0.999 10 0 BCAERO CC[C@H]1CCN(C(=O)[C@@H]([NH3+])COC)C1 ZINC000166170618 536082989 /nfs/dbraw/zinc/08/29/89/536082989.db2.gz BADSSKDWVBDQMC-IUCAKERBSA-N 1 0 200.282 0.219 10 0 BCAERO CN(C)[C@H]1CCC[N@H+](CC2(O)CCC2)C1 ZINC000335557903 536136116 /nfs/dbraw/zinc/13/61/16/536136116.db2.gz OHHQGNKQKUIPMR-NSHDSACASA-N 1 0 212.337 0.927 10 0 BCAERO CCc1cc(N2CCO[C@H](C[NH3+])C2)ncn1 ZINC000041059050 536147604 /nfs/dbraw/zinc/14/76/04/536147604.db2.gz VPKADSCKXGDWQC-SNVBAGLBSA-N 1 0 222.292 0.203 10 0 BCAERO CCc1nc2c(ncn2C)c(N2CC[NH2+]CC2)n1 ZINC000000004065 536154110 /nfs/dbraw/zinc/15/41/10/536154110.db2.gz RKBFQWHWEFHRIC-UHFFFAOYSA-N 1 0 246.318 0.335 10 0 BCAERO CC[C@H](C)NC(=O)[C@H](C)N1C[C@H](C)[C@H]([NH3+])C1 ZINC000261532393 536164363 /nfs/dbraw/zinc/16/43/63/536164363.db2.gz ASJCBHRYNZBNSD-XWLWVQCSSA-N 1 0 227.352 0.569 10 0 BCAERO C[NH2+][C@@H](C)CNC(=O)Cn1nc(C)cc1C ZINC000261579171 536340220 /nfs/dbraw/zinc/34/02/20/536340220.db2.gz MDLBBANUJMQQCX-VIFPVBQESA-N 1 0 224.308 0.224 10 0 BCAERO C[NH2+][C@@H](C)CNC(=O)c1cccc2c1OCO2 ZINC000261869811 536343159 /nfs/dbraw/zinc/34/31/59/536343159.db2.gz ZNCZIWSWXHOAKT-QMMMGPOBSA-N 1 0 236.271 0.753 10 0 BCAERO C[NH2+][C@@H](C)CNS(=O)(=O)c1cccs1 ZINC000261530379 536344364 /nfs/dbraw/zinc/34/43/64/536344364.db2.gz ZEYMLUMGQCCXRS-ZETCQYMHSA-N 1 0 234.346 0.634 10 0 BCAERO C[NH2+][C@@H]1CCCN(c2ncnc3c2cnn3C)C1 ZINC000053204744 536365840 /nfs/dbraw/zinc/36/58/40/536365840.db2.gz PGGOKXZSKMOQBN-SECBINFHSA-N 1 0 246.318 0.552 10 0 BCAERO C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2C2CC2)C1 ZINC000261533478 536372782 /nfs/dbraw/zinc/37/27/82/536372782.db2.gz BCQSRESUKABXGG-GMTAPVOTSA-N 1 0 208.305 0.853 10 0 BCAERO C[NH2+][C@H](C)CNC(=O)C1(CCOC)CCC1 ZINC000261622944 536390963 /nfs/dbraw/zinc/39/09/63/536390963.db2.gz BOARGINTTXSMAJ-SNVBAGLBSA-N 1 0 228.336 0.917 10 0 BCAERO C[NH2+][C@H](C)CNC(=O)CNC(=O)CC(C)(C)C ZINC000261684837 536392230 /nfs/dbraw/zinc/39/22/30/536392230.db2.gz HYKPYAUKZFZKJS-SECBINFHSA-N 1 0 243.351 0.263 10 0 BCAERO C[NH2+][C@H](C)CNC(=O)Cc1c(C)noc1C ZINC000261572761 536392552 /nfs/dbraw/zinc/39/25/52/536392552.db2.gz IFZVQNYPJKTEMI-SSDOTTSWSA-N 1 0 225.292 0.558 10 0 BCAERO C[NH2+][C@H](C)CNC(=O)[C@H](C)n1nc(C)cc1C ZINC000261683120 536399314 /nfs/dbraw/zinc/39/93/14/536399314.db2.gz HVDGDLDAHUDVOV-KOLCDFICSA-N 1 0 238.335 0.785 10 0 BCAERO C[NH2+][C@H](C)CNS(=O)(=O)CC1CCCC1 ZINC000261532353 536402866 /nfs/dbraw/zinc/40/28/66/536402866.db2.gz AHGQOCIDOULLPY-SECBINFHSA-N 1 0 234.365 0.704 10 0 BCAERO C[NH2+][C@H]1CCCN(CCS(=O)(=O)C(C)C)C1 ZINC000217934115 536412603 /nfs/dbraw/zinc/41/26/03/536412603.db2.gz FSJNULSZRGWGHA-NSHDSACASA-N 1 0 248.392 0.493 10 0 BCAERO C[NH2+]C[C@@H]1CCCN1Cc1cnn(C)c1C ZINC000169227900 536458817 /nfs/dbraw/zinc/45/88/17/536458817.db2.gz RJYSZSKPWYRJTE-LBPRGKRZSA-N 1 0 222.336 0.912 10 0 BCAERO COC[C@@H](C)CNC(=O)[C@@H]([NH3+])C1CCOCC1 ZINC000261904531 536504188 /nfs/dbraw/zinc/50/41/88/536504188.db2.gz WWKSWGMANUQEDH-ONGXEEELSA-N 1 0 244.335 0.139 10 0 BCAERO CO[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](C)[NH3+] ZINC000261538831 536588481 /nfs/dbraw/zinc/58/84/81/536588481.db2.gz ZNOAOJGTEHTCJJ-HRDYMLBCSA-N 1 0 200.282 0.407 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N1CCC(C(C)C)CC1 ZINC000261534491 536654443 /nfs/dbraw/zinc/65/44/43/536654443.db2.gz RGXAQAHITQZXNN-LLVKDONJSA-N 1 0 228.336 0.855 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N1CCC[C@H]1CC(C)C ZINC000262203604 536656637 /nfs/dbraw/zinc/65/66/37/536656637.db2.gz DIQGPQRIMGHHPW-WDEREUQCSA-N 1 0 228.336 0.997 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N1CCS[C@H](C(C)C)C1 ZINC000262246232 536658940 /nfs/dbraw/zinc/65/89/40/536658940.db2.gz IFFYLARCEHYYNL-ZJUUUORDSA-N 1 0 246.376 0.560 10 0 BCAERO COC(=O)c1ccc(CN2CC[C@@H]([NH3+])[C@@H]2C)o1 ZINC000261556179 536670770 /nfs/dbraw/zinc/67/07/70/536670770.db2.gz QMODTPBYTRCOPJ-WCBMZHEXSA-N 1 0 238.287 0.988 10 0 BCAERO COC[C@@H]([NH3+])C(=O)Nc1ccc2c(c1)ncn2C ZINC000262478063 536671913 /nfs/dbraw/zinc/67/19/13/536671913.db2.gz ZDODGJUYWYZIRF-SECBINFHSA-N 1 0 248.286 0.486 10 0 BCAERO COC[C@@H]([NH3+])C(=O)Nc1cnc2n[nH]c(C)c2c1 ZINC000262275453 536673685 /nfs/dbraw/zinc/67/36/85/536673685.db2.gz LAGOGMVTAZIZTR-SECBINFHSA-N 1 0 249.274 0.179 10 0 BCAERO COc1cc(N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)ncn1 ZINC000261563675 536831643 /nfs/dbraw/zinc/83/16/43/536831643.db2.gz XDAKGXNXPYJMDP-AEJSXWLSSA-N 1 0 234.303 0.659 10 0 BCAERO COC(=O)c1coc(CN2C[C@@H](C)[C@@H]([NH3+])C2)c1 ZINC000261948436 536845365 /nfs/dbraw/zinc/84/53/65/536845365.db2.gz FQEXINPVPPAKEE-KCJUWKMLSA-N 1 0 238.287 0.845 10 0 BCAERO COCCCC(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000087420355 536869716 /nfs/dbraw/zinc/86/97/16/536869716.db2.gz HDDNBISFIOSNRI-UWVGGRQHSA-N 1 0 214.309 0.657 10 0 BCAERO CC[NH2+][C@@H](Cn1cc(Cl)c(C)n1)C(N)=O ZINC000070704296 537881929 /nfs/dbraw/zinc/88/19/29/537881929.db2.gz QEDNXRFVEWRHJF-QMMMGPOBSA-N 1 0 230.699 0.308 10 0 BCAERO C[C@H](C[NH3+])c1nc(-c2ccnn2C)cc(=O)[nH]1 ZINC000725257250 538066118 /nfs/dbraw/zinc/06/61/18/538066118.db2.gz MGHDDOIXECKOAK-SSDOTTSWSA-N 1 0 233.275 0.645 10 0 BCAERO NC(=O)OCc1cn(CCCCCC[NH3+])nn1 ZINC000725263222 538089254 /nfs/dbraw/zinc/08/92/54/538089254.db2.gz XPYPOKBXABGFDK-UHFFFAOYSA-N 1 0 241.295 0.807 10 0 BCAERO CCCNC(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725258072 566303866 /nfs/dbraw/zinc/30/38/66/566303866.db2.gz FKFDNNNPMVMFOD-UHFFFAOYSA-N 1 0 223.280 0.559 10 0 BCAERO COc1cccc([C@@H](CO)[NH2+]CCCO)c1 ZINC000309915050 566342077 /nfs/dbraw/zinc/34/20/77/566342077.db2.gz OUKVTPABXDGAAN-GFCCVEGCSA-N 1 0 225.288 0.701 10 0 BCAERO C[NH2+]C1(CNC(=O)C2(C)CC2)CCOCC1 ZINC000669381214 566424298 /nfs/dbraw/zinc/42/42/98/566424298.db2.gz BSEAMUJEVXTAEJ-UHFFFAOYSA-N 1 0 226.320 0.671 10 0 BCAERO CC(C)(C)[NH2+]C[C@@H](O)C[C@]1(O)CCOC1 ZINC000669381222 566424825 /nfs/dbraw/zinc/42/48/25/566424825.db2.gz CBBRCRMLWSYHHB-GXSJLCMTSA-N 1 0 217.309 0.277 10 0 BCAERO C[C@@](CC[NH3+])(NC(=O)[C@@H]1CCOC1)C(F)F ZINC000669380664 566425485 /nfs/dbraw/zinc/42/54/85/566425485.db2.gz OYWAJLPORAEACP-XCBNKYQSSA-N 1 0 236.262 0.512 10 0 BCAERO CC(C)C[NH2+]C[C@@H](O)C[C@]1(O)CCOC1 ZINC000669381260 566425733 /nfs/dbraw/zinc/42/57/33/566425733.db2.gz DDVJBWPWRIHJKP-WDEREUQCSA-N 1 0 217.309 0.134 10 0 BCAERO CCCC(=O)N[C@]1(CO)CCC[NH2+]C1 ZINC000669384978 566427708 /nfs/dbraw/zinc/42/77/08/566427708.db2.gz QRZGPVKJMDJUCJ-SNVBAGLBSA-N 1 0 200.282 0.017 10 0 BCAERO COCCC[NH2+]CC[C@H](CO)[C@@H]1CCOC1 ZINC000685963787 566487705 /nfs/dbraw/zinc/48/77/05/566487705.db2.gz WUHUCFYFZDVBSH-VXGBXAGGSA-N 1 0 231.336 0.648 10 0 BCAERO COCCC[NH2+]CC[C@@H](CO)[C@H]1CCOC1 ZINC000685963786 566487746 /nfs/dbraw/zinc/48/77/46/566487746.db2.gz WUHUCFYFZDVBSH-RYUDHWBXSA-N 1 0 231.336 0.648 10 0 BCAERO Cn1ccnc1[C@H]1[C@@H]([NH3+])CCC(=O)N1C ZINC000395453749 583058083 /nfs/dbraw/zinc/05/80/83/583058083.db2.gz PACLKHBNVQVCHW-IONNQARKSA-N 1 0 208.265 0.041 10 0 BCAERO CC[NH+](CC)CCn1cc(N)ccc1=O ZINC000019270898 583100990 /nfs/dbraw/zinc/10/09/90/583100990.db2.gz XGTIWWKPZAASDF-UHFFFAOYSA-N 1 0 209.293 0.772 10 0 BCAERO C[NH+](C)[C@@H]1CCN(C(=O)n2ccnc2)C1 ZINC000112642687 588811123 /nfs/dbraw/zinc/81/11/23/588811123.db2.gz VNEOBJNCEOKTSY-SECBINFHSA-N 1 0 208.265 0.487 10 0 BCAERO CC(C)[C@@H]([NH2+]Cc1ccncc1)C(N)=O ZINC000107323292 582460015 /nfs/dbraw/zinc/46/00/15/582460015.db2.gz SLYUVLXQDRZMBF-SNVBAGLBSA-N 1 0 207.277 0.681 10 0 BCAERO C[NH2+]Cc1csc([C@H](O)COC)n1 ZINC000757130244 582505241 /nfs/dbraw/zinc/50/52/41/582505241.db2.gz OTJAAWLCNZNEAG-SSDOTTSWSA-N 1 0 202.279 0.542 10 0 BCAERO C[NH2+]Cc1csc([C@@H](O)[C@@H](C)OC)n1 ZINC000757134581 582510990 /nfs/dbraw/zinc/51/09/90/582510990.db2.gz YRQAOGSSBNJEAB-SVRRBLITSA-N 1 0 216.306 0.931 10 0 BCAERO CC1(C)CC[C@]2(C1)[NH2+]C[C@@]1(COCCN1)CO2 ZINC000757139362 582519664 /nfs/dbraw/zinc/51/96/64/582519664.db2.gz HAQCPMZQCODWQA-OLZOCXBDSA-N 1 0 240.347 0.871 10 0 BCAERO C[C@H]([NH3+])[C@H](N1CC[C@@H]1C(N)=O)C(C)(C)C ZINC000757141662 582522668 /nfs/dbraw/zinc/52/26/68/582522668.db2.gz DMCWIUXWXRKQDO-YIZRAAEISA-N 1 0 213.325 0.308 10 0 BCAERO CC[NH2+][C@@H]1CCN(S(C)(=O)=O)C[C@@H]1C ZINC000168069733 582524535 /nfs/dbraw/zinc/52/45/35/582524535.db2.gz HYOOJOOQEYMUON-DTWKUNHWSA-N 1 0 220.338 0.266 10 0 BCAERO CN(C)c1nc(CN2CC[C@@H]2C[NH3+])ns1 ZINC000757144369 582525430 /nfs/dbraw/zinc/52/54/30/582525430.db2.gz JBTVMSMFSCWGFP-SSDOTTSWSA-N 1 0 227.337 0.137 10 0 BCAERO C1CC1[NH+]1CCC2(CC1)NC1(COC1)CCO2 ZINC000757144715 582525438 /nfs/dbraw/zinc/52/54/38/582525438.db2.gz GNXCLQRYQRSZSQ-UHFFFAOYSA-N 1 0 238.331 0.720 10 0 BCAERO [NH3+]C[C@@H]1CCN1C[C@@H]1OCCC12CCC2 ZINC000757144997 582526190 /nfs/dbraw/zinc/52/61/90/582526190.db2.gz JXSVAECRUCLLDI-QWRGUYRKSA-N 1 0 210.321 0.979 10 0 BCAERO [NH3+]C[C@@H]1CCN1C[C@H]1OCCC12CCC2 ZINC000757145005 582526196 /nfs/dbraw/zinc/52/61/96/582526196.db2.gz JXSVAECRUCLLDI-WDEREUQCSA-N 1 0 210.321 0.979 10 0 BCAERO COC[C@H]1CCO[C@]2(COC(C)(C)C2)[NH2+]1 ZINC000757146457 582530248 /nfs/dbraw/zinc/53/02/48/582530248.db2.gz KMOJWSAFCSJBCK-MWLCHTKSSA-N 1 0 215.293 0.907 10 0 BCAERO COC[C@H]1CCO[C@@]2(CN3CCC2CC3)[NH2+]1 ZINC000757148743 582531869 /nfs/dbraw/zinc/53/18/69/582531869.db2.gz OAMLLYNYDVKLNU-VXGBXAGGSA-N 1 0 226.320 0.433 10 0 BCAERO CCC1(CC)[NH2+]C[C@]2(COCCN2C)CO1 ZINC000757148362 582533078 /nfs/dbraw/zinc/53/30/78/582533078.db2.gz UHTFFWHGHQOUFD-NSHDSACASA-N 1 0 228.336 0.823 10 0 BCAERO [NH3+][C@@H](CS(=O)(=O)N1C2CCC1CC2)C1CC1 ZINC000757150979 582534739 /nfs/dbraw/zinc/53/47/39/582534739.db2.gz LSINGULUSSQWHS-ILDUYXDCSA-N 1 0 244.360 0.680 10 0 BCAERO CN(C)S(=O)(=O)C[C@@H]([NH3+])CC(C)(C)C ZINC000757150964 582534832 /nfs/dbraw/zinc/53/48/32/582534832.db2.gz LEWXWMSMJNYNDC-QMMMGPOBSA-N 1 0 222.354 0.641 10 0 BCAERO CC[C@@]1(C)CCO[C@@]2(CCS(=O)(=O)C2)[NH2+]1 ZINC000757152446 582536719 /nfs/dbraw/zinc/53/67/19/582536719.db2.gz SJEQRYVUZJMDOK-VHSXEESVSA-N 1 0 233.333 0.680 10 0 BCAERO [NH3+]CC[C@@H]1CCC[C@@]12CCS(=O)(=O)C2 ZINC000757194257 582558408 /nfs/dbraw/zinc/55/84/08/582558408.db2.gz BNJOUXFOZFLVQH-UWVGGRQHSA-N 1 0 217.334 0.940 10 0 BCAERO [NH3+][C@H]1CNC[C@@H](c2ccc(C=O)s2)C1 ZINC000757218598 582561796 /nfs/dbraw/zinc/56/17/96/582561796.db2.gz VELHQQLEUVCRTM-JGVFFNPUSA-N 1 0 210.302 0.965 10 0 BCAERO C[C@@H]1CN2C(=[NH+]CC[C@H]2c2cnn(C)c2)N1 ZINC000235435599 582579972 /nfs/dbraw/zinc/57/99/72/582579972.db2.gz SRNMQSRSECVYMJ-SCZZXKLOSA-N 1 0 219.292 0.515 10 0 BCAERO Nc1[nH+]ccn1C[C@@H]1CCCCNC1=O ZINC000721037362 582634196 /nfs/dbraw/zinc/63/41/96/582634196.db2.gz VWEAGPZEAVYQMJ-QMMMGPOBSA-N 1 0 208.265 0.382 10 0 BCAERO Cc1nc2nccc([C@@H]3CCC[NH2+]C3)n2n1 ZINC000236006734 582635507 /nfs/dbraw/zinc/63/55/07/582635507.db2.gz YFUOZBWTUPDPCB-SECBINFHSA-N 1 0 217.276 0.900 10 0 BCAERO Cc1nc2nccc([C@H]3CCC[NH2+]C3)n2n1 ZINC000236006746 582635646 /nfs/dbraw/zinc/63/56/46/582635646.db2.gz YFUOZBWTUPDPCB-VIFPVBQESA-N 1 0 217.276 0.900 10 0 BCAERO Cn1cc([C@H]2CCNC3=[NH+]CCN32)cn1 ZINC000236113456 582639182 /nfs/dbraw/zinc/63/91/82/582639182.db2.gz IYARSHJPRQRBMP-SECBINFHSA-N 1 0 205.265 0.126 10 0 BCAERO [NH3+]CCCc1nc2n(n1)[C@H]1CCC[C@@H]1CN2 ZINC000236213421 582641785 /nfs/dbraw/zinc/64/17/85/582641785.db2.gz ZBMQLOSJJRTDFW-BDAKNGLRSA-N 1 0 221.308 0.936 10 0 BCAERO Nc1ccc2c(c1)nn1c2NCC[C@H]1C[NH3+] ZINC000236235141 582642330 /nfs/dbraw/zinc/64/23/30/582642330.db2.gz MPGSZXUWTDAMCY-QMMMGPOBSA-N 1 0 217.276 0.934 10 0 BCAERO Nc1cnn2c1nccc2[C@@H]1CCC[NH2+]C1 ZINC000236376967 582654133 /nfs/dbraw/zinc/65/41/33/582654133.db2.gz UKXPKHMWQISCPH-MRVPVSSYSA-N 1 0 217.276 0.779 10 0 BCAERO CCCCNC(=O)NC[C@@H]([NH3+])[C@H]1CCOC1 ZINC000725255109 582760469 /nfs/dbraw/zinc/76/04/69/582760469.db2.gz SCFYDPSEBLLOLZ-VHSXEESVSA-N 1 0 229.324 0.450 10 0 BCAERO C[NH2+][C@@H](Cn1ccnc1C(C)C)C(N)=O ZINC000045430456 582878183 /nfs/dbraw/zinc/87/81/83/582878183.db2.gz QCKJNHRLAKCZPC-QMMMGPOBSA-N 1 0 210.281 0.080 10 0 BCAERO COC(=O)[C@](C)([NH3+])CCn1cc(Cl)cn1 ZINC000045436971 582880071 /nfs/dbraw/zinc/88/00/71/582880071.db2.gz XGUPBKJHOVSBBX-SECBINFHSA-N 1 0 231.683 0.817 10 0 BCAERO COC[C@@H](C)[NH2+]CC(=O)Nc1nccs1 ZINC000394408773 582968698 /nfs/dbraw/zinc/96/86/98/582968698.db2.gz DGJLVOUGSINESW-SSDOTTSWSA-N 1 0 229.305 0.706 10 0 BCAERO CC[C@@H](C[NH3+])[C@H](O)c1snnc1C ZINC000394828696 583016226 /nfs/dbraw/zinc/01/62/26/583016226.db2.gz BOCMTUIPKROSMZ-BQBZGAKWSA-N 1 0 201.295 0.865 10 0 BCAERO Cn1ccc(C[NH2+][C@@H]2CCCN(CCO)C2)c1 ZINC000395039442 583032479 /nfs/dbraw/zinc/03/24/79/583032479.db2.gz JCDSPCBMRDCOKK-CYBMUJFWSA-N 1 0 237.347 0.571 10 0 BCAERO Cn1ccnc1[C@@H]1[C@H]([NH3+])CCC(=O)N1C ZINC000395453745 583058316 /nfs/dbraw/zinc/05/83/16/583058316.db2.gz PACLKHBNVQVCHW-APPZFPTMSA-N 1 0 208.265 0.041 10 0 BCAERO Cc1nc2n(n1)[C@@H]([C@H]1CCC[NH2+]C1)CCN2 ZINC000236035599 583211069 /nfs/dbraw/zinc/21/10/69/583211069.db2.gz DTOCHYQCJZSAHQ-VHSXEESVSA-N 1 0 221.308 0.943 10 0 BCAERO CC(C)(C)OC(=O)N1CC[C@@H](O)C[C@@H]1C[NH3+] ZINC000141407014 583568721 /nfs/dbraw/zinc/56/87/21/583568721.db2.gz UWRWAOPMGWXBKY-RKDXNWHRSA-N 1 0 230.308 0.706 10 0 BCAERO CC(C)(C)C(=O)NC1CCN(CC[NH3+])CC1 ZINC000082491391 583801001 /nfs/dbraw/zinc/80/10/01/583801001.db2.gz WTJPQLYNBSZGAI-UHFFFAOYSA-N 1 0 227.352 0.572 10 0 BCAERO CC[C@H](C)NC(=O)[C@@H](C)n1cc[nH+]c1N ZINC000702466957 584937246 /nfs/dbraw/zinc/93/72/46/584937246.db2.gz QFTCTZYMGSDZPY-JGVFFNPUSA-N 1 0 210.281 0.941 10 0 BCAERO c1nc2n(n1)[C@H]([C@@H]1CCC[NH2+]C1)CCN2 ZINC000232461129 585030962 /nfs/dbraw/zinc/03/09/62/585030962.db2.gz SJCDWOQDOZVVQA-BDAKNGLRSA-N 1 0 207.281 0.634 10 0 BCAERO C1C[NH2+]C[C@H]([C@@H]2CCNc3nnnn32)C1 ZINC000232461141 585031021 /nfs/dbraw/zinc/03/10/21/585031021.db2.gz WBNHTOTZKVDLSR-SFYZADRCSA-N 1 0 208.269 0.029 10 0 BCAERO C1C[NH2+]C[C@@H]([C@@H]2CCNc3nnnn32)C1 ZINC000232455914 585031133 /nfs/dbraw/zinc/03/11/33/585031133.db2.gz WBNHTOTZKVDLSR-YUMQZZPRSA-N 1 0 208.269 0.029 10 0 BCAERO O=C1NCC[C@H]1[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000769850356 585564874 /nfs/dbraw/zinc/56/48/74/585564874.db2.gz HNQQHEKGWCWVCT-WDEREUQCSA-N 1 0 238.331 0.956 10 0 BCAERO CC[C@H](COC)n1nnc2c1nc[nH+]c2NN ZINC000757569631 586366897 /nfs/dbraw/zinc/36/68/97/586366897.db2.gz UBRWEGPJWDJTRE-ZCFIWIBFSA-N 1 0 237.267 0.104 10 0 BCAERO COC[C@H](O)c1nc(C)c(C[NH3+])s1 ZINC000757134948 586426997 /nfs/dbraw/zinc/42/69/97/586426997.db2.gz ZNFPWTCFTLYCJC-LURJTMIESA-N 1 0 202.279 0.590 10 0 BCAERO CN1CC[C@@]2(C1)[NH2+]CC[C@@H](C(F)F)O2 ZINC000757146022 586428147 /nfs/dbraw/zinc/42/81/47/586428147.db2.gz PSCJLDXQEAAXGQ-IONNQARKSA-N 1 0 206.236 0.662 10 0 BCAERO [NH3+]C[C@H]1CCN1c1nncc2ncsc21 ZINC000757142579 586428485 /nfs/dbraw/zinc/42/84/85/586428485.db2.gz FACTZLSLEAEPIF-ZCFIWIBFSA-N 1 0 221.289 0.624 10 0 BCAERO CCN(C)S(=O)(=O)C[C@@H]([NH3+])C1CCCC1 ZINC000757151011 586428972 /nfs/dbraw/zinc/42/89/72/586428972.db2.gz MKVBGHAOJPGIFS-SNVBAGLBSA-N 1 0 234.365 0.785 10 0 BCAERO CC(C)(C)[C@@H]([NH3+])CS(=O)(=O)N1CCCC1 ZINC000757152492 586429270 /nfs/dbraw/zinc/42/92/70/586429270.db2.gz XRBYKAVNIQFOSP-VIFPVBQESA-N 1 0 234.365 0.785 10 0 BCAERO CCCC[C@H]([NH3+])CS(=O)(=O)N(C)C ZINC000757154050 586429314 /nfs/dbraw/zinc/42/93/14/586429314.db2.gz UTZCTQQMLGQEHC-QMMMGPOBSA-N 1 0 208.327 0.395 10 0 BCAERO [NH3+][C@@H](CS(=O)(=O)N1CCC1)c1cccnc1 ZINC000757152331 586429603 /nfs/dbraw/zinc/42/96/03/586429603.db2.gz KDGXNMXLHUZFNX-JTQLQIEISA-N 1 0 241.316 0.117 10 0 BCAERO C[C@@H](NC(=O)OC(C)(C)C)[C@](C)([NH3+])CC(N)=O ZINC000757153002 586429711 /nfs/dbraw/zinc/42/97/11/586429711.db2.gz FIKOJQSTJBYIRV-RDDDGLTNSA-N 1 0 245.323 0.492 10 0 BCAERO CNc1cc[nH+]c(N2CC[C@H]2C(N)=O)c1 ZINC000757156434 586430192 /nfs/dbraw/zinc/43/01/92/586430192.db2.gz KQXZNMBWMDZHML-QMMMGPOBSA-N 1 0 206.249 0.187 10 0 BCAERO COC[C@@H](CN1CC[C@H]1C[NH3+])C(C)C ZINC000757157436 586430447 /nfs/dbraw/zinc/43/04/47/586430447.db2.gz NDJOQNFGYZIDDA-MNOVXSKESA-N 1 0 200.326 0.938 10 0 BCAERO CC(C)(C)OC(=O)[C@@H]1C[NH2+]C[C@]12CCOC2 ZINC000757185845 586434017 /nfs/dbraw/zinc/43/40/17/586434017.db2.gz UEXIOYIVMLZUEQ-CABZTGNLSA-N 1 0 227.304 0.954 10 0 BCAERO [NH3+][C@H](CO)Cc1cn(CC2CCOCC2)cn1 ZINC000757185313 586434091 /nfs/dbraw/zinc/43/40/91/586434091.db2.gz DGMWFHJXUXCGKX-NSHDSACASA-N 1 0 239.319 0.172 10 0 BCAERO COC(=O)[C@@H]1C[NH2+]C[C@]12CN1CCC2CC1 ZINC000757185267 586434094 /nfs/dbraw/zinc/43/40/94/586434094.db2.gz QRWABILUNKEDML-CMPLNLGQSA-N 1 0 224.304 0.091 10 0 BCAERO COC(=O)[C@H]1C[NH2+]C[C@H]1c1nccs1 ZINC000757186736 586434219 /nfs/dbraw/zinc/43/42/19/586434219.db2.gz FHYSVBXKXSHRIX-RQJHMYQMSA-N 1 0 212.274 0.619 10 0 BCAERO CCOC(=O)[C@H]1C[NH2+]C[C@]12CCN(C)C2 ZINC000757186061 586434413 /nfs/dbraw/zinc/43/44/13/586434413.db2.gz VMXWYPMGLCLVLY-KOLCDFICSA-N 1 0 212.293 0.091 10 0 BCAERO CCCCCn1cnc(C[C@@H]([NH3+])CO)c1 ZINC000757190425 586435444 /nfs/dbraw/zinc/43/54/44/586435444.db2.gz PFAVPEDTCPUNIL-SNVBAGLBSA-N 1 0 211.309 0.935 10 0 BCAERO Cc1nn(C2CC[NH2+]CC2)cc1C(N)=O ZINC000757194208 586436379 /nfs/dbraw/zinc/43/63/79/586436379.db2.gz ALSASIYNEXOWIP-UHFFFAOYSA-N 1 0 208.265 0.215 10 0 BCAERO Cc1nn(-c2cnccn2)cc1C(N)=[NH2+] ZINC000757195571 586436482 /nfs/dbraw/zinc/43/64/82/586436482.db2.gz HGZSQSYLPHFRQX-UHFFFAOYSA-N 1 0 202.221 0.255 10 0 BCAERO [NH3+]Cc1cccc([C@H]2CC[NH2+]C[C@H]2C(=O)[O-])c1 ZINC000757208040 586438063 /nfs/dbraw/zinc/43/80/63/586438063.db2.gz CBXKKAPZXDDTFU-VXGBXAGGSA-N 1 0 234.299 0.923 10 0 BCAERO C[C@@H]1C[C@H](C(=O)[O-])C[C@H]([C@@H]2CCC[NH2+]C2)[NH2+]1 ZINC000757210607 586438278 /nfs/dbraw/zinc/43/82/78/586438278.db2.gz GJLDPNJVRVVDFZ-CHWFTXMASA-N 1 0 226.320 0.827 10 0 BCAERO CCn1cc([C@@H]2C[C@H](C)[C@@H]([NH3+])CN2)cn1 ZINC000757227380 586442895 /nfs/dbraw/zinc/44/28/95/586442895.db2.gz BNJIIDKBKYZBBR-LSJOCFKGSA-N 1 0 208.309 0.901 10 0 BCAERO C[C@@H]1C[C@H]([C@@H]2C[NH2+]C[C@@H](C(=O)[O-])C2)CC[NH2+]1 ZINC000757232424 586443226 /nfs/dbraw/zinc/44/32/26/586443226.db2.gz IEEZBUASFRBRGY-ZNSHCXBVSA-N 1 0 226.320 0.685 10 0 BCAERO [NH3+][C@H]1C[NH2+]C[C@@H](c2ccc(C(=O)[O-])cc2)C1 ZINC000757236418 586443555 /nfs/dbraw/zinc/44/35/55/586443555.db2.gz OKRPGFGEJDVGNH-WDEREUQCSA-N 1 0 220.272 0.789 10 0 BCAERO C[C@@H]1C[C@H]([C@H]2CC[C@H](C(=O)[O-])C[NH2+]2)CC[NH2+]1 ZINC000757235855 586443870 /nfs/dbraw/zinc/44/38/70/586443870.db2.gz MYOMKOKVZGLRDZ-CHWFTXMASA-N 1 0 226.320 0.827 10 0 BCAERO CCC[C@@H](C)n1nnc2c1nc[nH+]c2NN ZINC000757564871 586461128 /nfs/dbraw/zinc/46/11/28/586461128.db2.gz GSCSMSWISNZAIV-ZCFIWIBFSA-N 1 0 221.268 0.868 10 0 BCAERO COC(=O)C[C@H]([NH3+])CNC(=O)OC(C)(C)C ZINC000201516157 589097047 /nfs/dbraw/zinc/09/70/47/589097047.db2.gz RFKXQNWLOYKCPI-ZETCQYMHSA-N 1 0 232.280 0.402 10 0 BCAERO COC(=O)c1ccc(N[C@@H](C)C[NH3+])nc1 ZINC000107208489 588342553 /nfs/dbraw/zinc/34/25/53/588342553.db2.gz YSNLELZQGXKIGK-ZETCQYMHSA-N 1 0 209.249 0.627 10 0 BCAERO CC(=O)NCCC[NH2+][C@@H]1CCO[C@@H]1C ZINC000119976183 589353222 /nfs/dbraw/zinc/35/32/22/589353222.db2.gz NXAJVVBPQMKLOG-PSASIEDQSA-N 1 0 200.282 0.280 10 0 BCAERO CCCNC(=S)N1CC[C@@H]([NH+](C)C)C1 ZINC000122383271 589584821 /nfs/dbraw/zinc/58/48/21/589584821.db2.gz PTFACXOLGQBOJL-SECBINFHSA-N 1 0 215.366 0.907 10 0 BCAERO CCNC(=S)N1CC[C@H]([NH+](C)C)C1 ZINC000122384766 589584832 /nfs/dbraw/zinc/58/48/32/589584832.db2.gz OGAIUARROOVRDW-QMMMGPOBSA-N 1 0 201.339 0.517 10 0 BCAERO COC[C@H](C)NC(=S)N1CC[C@H]([NH+](C)C)C1 ZINC000122385684 589585167 /nfs/dbraw/zinc/58/51/67/589585167.db2.gz VUVOCDHUCVAVII-UWVGGRQHSA-N 1 0 245.392 0.532 10 0 BCAERO O=C(N1CCCC1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000123202521 589678215 /nfs/dbraw/zinc/67/82/15/589678215.db2.gz KWXYXYJALOXMIA-NSHDSACASA-N 1 0 223.320 0.982 10 0 BCAERO CN(C[C@H]1CCCO1)C(=O)C[C@@H]([NH3+])C1CC1 ZINC000123969289 589887738 /nfs/dbraw/zinc/88/77/38/589887738.db2.gz QFQBJDSUZRLLQJ-GHMZBOCLSA-N 1 0 226.320 0.751 10 0 BCAERO C[C@@H]1C[N@H+](C[C@H](O)C2CC2)C[C@@H]1N(C)C ZINC000124907155 590097732 /nfs/dbraw/zinc/09/77/32/590097732.db2.gz TYNZDRIFAGIQAV-USWWRNFRSA-N 1 0 212.337 0.639 10 0 BCAERO COc1cc(C)nc(N(C)[C@H](C)C[NH3+])n1 ZINC000125482402 590166238 /nfs/dbraw/zinc/16/62/38/590166238.db2.gz OVQIMAYEEKOKLN-MRVPVSSYSA-N 1 0 210.281 0.577 10 0 BCAERO C[C@H](C[NH3+])N(C)c1ccnc(N(C)C)n1 ZINC000125498903 590166505 /nfs/dbraw/zinc/16/65/05/590166505.db2.gz LFOLSGVUXIKAPW-MRVPVSSYSA-N 1 0 209.297 0.326 10 0 BCAERO C[C@H](NC(=O)C1([NH3+])CCOCC1)[C@@H]1CCCO1 ZINC000127748566 590768279 /nfs/dbraw/zinc/76/82/79/590768279.db2.gz NTGMJHCXTUIABZ-UWVGGRQHSA-N 1 0 242.319 0.178 10 0 BCAERO NC(=O)C[C@]1([NH3+])CCCN(Cc2ccccc2)C1 ZINC000211634226 591209345 /nfs/dbraw/zinc/20/93/45/591209345.db2.gz YXYDFGLNJOLNMY-CQSZACIVSA-N 1 0 247.342 0.855 10 0 BCAERO CC(C)[C@@H]([NH3+])CC(=O)NCc1ccon1 ZINC000129150621 591260863 /nfs/dbraw/zinc/26/08/63/591260863.db2.gz IGMGOCOHOJVPIL-VIFPVBQESA-N 1 0 211.265 0.664 10 0 BCAERO CN(C[C@@H]1CC[N@H+](C)C1)C(=O)n1ccnc1 ZINC000129989166 591427855 /nfs/dbraw/zinc/42/78/55/591427855.db2.gz KAJJIDXRGSNBHT-SNVBAGLBSA-N 1 0 222.292 0.735 10 0 BCAERO COCCNC(=S)N1C[C@H]([NH+](C)C)[C@@H](C)C1 ZINC000130404683 591464794 /nfs/dbraw/zinc/46/47/94/591464794.db2.gz QLCFWTJJFJKJCS-UWVGGRQHSA-N 1 0 245.392 0.389 10 0 BCAERO CCC[C@H](OC)c1noc([C@H]2C[C@@H](O)C[NH2+]2)n1 ZINC000132302921 591699271 /nfs/dbraw/zinc/69/92/71/591699271.db2.gz BCYPWRBUYNTVBS-HLTSFMKQSA-N 1 0 241.291 0.953 10 0 BCAERO CCCNc1cc(N[C@@H]2CCCNC2=O)ncn1 ZINC000132469596 591711649 /nfs/dbraw/zinc/71/16/49/591711649.db2.gz YLZPACUZMBXQED-SECBINFHSA-N 1 0 249.318 0.989 10 0 BCAERO CN(c1ccc(C(F)(F)F)nn1)C1C[NH2+]C1 ZINC000132513510 591714690 /nfs/dbraw/zinc/71/46/90/591714690.db2.gz RSHOWFBSITYFRS-UHFFFAOYSA-N 1 0 232.209 0.903 10 0 BCAERO C[C@@H]([NH3+])[C@H]1CN(c2ncnc3c2CCC3)CCO1 ZINC000132895353 591746668 /nfs/dbraw/zinc/74/66/68/591746668.db2.gz POEKTJYSAOYOFY-BXKDBHETSA-N 1 0 248.330 0.518 10 0 BCAERO O=C(NC[C@@H]1CC[NH2+]C1)[C@H](O)c1ccccc1 ZINC000133660150 591845857 /nfs/dbraw/zinc/84/58/57/591845857.db2.gz ALXQFVQEMVRRKM-ZYHUDNBSSA-N 1 0 234.299 0.446 10 0 BCAERO C[C@H]1OCC[C@H]1NC(=O)C1(C[NH3+])CCCC1 ZINC000134249067 591906774 /nfs/dbraw/zinc/90/67/74/591906774.db2.gz WGQBYTGGXWNJCG-NXEZZACHSA-N 1 0 226.320 0.799 10 0 BCAERO C[C@@H]1OCC[C@H]1NC(=O)C[C@@H]1CCC[NH2+]1 ZINC000134255132 591906860 /nfs/dbraw/zinc/90/68/60/591906860.db2.gz FOZRBRSWLPCKQQ-LPEHRKFASA-N 1 0 212.293 0.422 10 0 BCAERO Cc1cc(N[C@@H]2CCO[C@H]2C)nc(N)[nH+]1 ZINC000134608240 591942435 /nfs/dbraw/zinc/94/24/35/591942435.db2.gz SEXWXDWDDKBUHS-JGVFFNPUSA-N 1 0 208.265 0.957 10 0 BCAERO CSCC[NH2+]Cc1ccnc(N(C)C)n1 ZINC000134794568 591947507 /nfs/dbraw/zinc/94/75/07/591947507.db2.gz BEGKBQVVDSDHON-UHFFFAOYSA-N 1 0 226.349 0.995 10 0 BCAERO C[C@H]([NH3+])CNS(=O)(=O)/C=C\c1ccccc1 ZINC000215557627 591950907 /nfs/dbraw/zinc/95/09/07/591950907.db2.gz RHZRSPJAZNQSSS-DMEOUFDRSA-N 1 0 240.328 0.924 10 0 BCAERO CCN(CC)C(=O)CNC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000135265920 592000587 /nfs/dbraw/zinc/00/05/87/592000587.db2.gz CEVZGEGFGYXNDD-ZJUUUORDSA-N 1 0 241.335 0.098 10 0 BCAERO C[C@@H]1C[C@@H](C[NH3+])CN1c1ccnc(N(C)C)n1 ZINC000216154262 592011826 /nfs/dbraw/zinc/01/18/26/592011826.db2.gz SERSCWAWPJPKQL-ZJUUUORDSA-N 1 0 235.335 0.716 10 0 BCAERO CCN(CC)C(=O)C[NH2+]Cc1cnn(C)c1C ZINC000135469868 592013172 /nfs/dbraw/zinc/01/31/72/592013172.db2.gz VXIHNDITJYONHM-UHFFFAOYSA-N 1 0 238.335 0.687 10 0 BCAERO CC(C)[C@@H]1CCN(C(=O)C2([NH3+])CCOCC2)C1 ZINC000135442790 592013242 /nfs/dbraw/zinc/01/32/42/592013242.db2.gz OCJMOOXVMCREHH-LLVKDONJSA-N 1 0 240.347 0.999 10 0 BCAERO CCOC(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000219731489 592240257 /nfs/dbraw/zinc/24/02/57/592240257.db2.gz CFICNBBVVZOTPX-GHMZBOCLSA-N 1 0 242.319 0.674 10 0 BCAERO C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCOC[C@@H]1C ZINC000221579840 592433645 /nfs/dbraw/zinc/43/36/45/592433645.db2.gz HPFISEVDZZOEGK-LPEHRKFASA-N 1 0 212.293 0.232 10 0 BCAERO C[NH2+][C@H](C)C(=O)N[C@H]1CC[C@H](SC)C1 ZINC000300383069 592509560 /nfs/dbraw/zinc/50/95/60/592509560.db2.gz HHGQSWZDGFBNDN-VGMNWLOBSA-N 1 0 216.350 0.995 10 0 BCAERO CCC[C@@H]1C[C@@H]1NC(=O)[C@H]([NH3+])CCOC ZINC000300391572 592509939 /nfs/dbraw/zinc/50/99/39/592509939.db2.gz VVMJRFIGZPWJQK-BBBLOLIVSA-N 1 0 214.309 0.655 10 0 BCAERO C[NH2+][C@H](C)c1nc(-c2ncccn2)no1 ZINC000054053218 635338453 /nfs/dbraw/zinc/33/84/53/635338453.db2.gz XBFHIZSRWWMIMA-ZCFIWIBFSA-N 1 0 205.221 0.807 10 0 BCAERO C[NH2+]C[C@@H]1CCCCN1CCC(=O)OC ZINC000063169181 635469288 /nfs/dbraw/zinc/46/92/88/635469288.db2.gz NIDVBDVWRMVMSJ-JTQLQIEISA-N 1 0 214.309 0.623 10 0 BCAERO [NH3+][C@@H](CC(=O)NC[C@H](O)C(F)(F)F)C1CC1 ZINC000230062364 635479747 /nfs/dbraw/zinc/47/97/47/635479747.db2.gz ZDQKNTCQUZFFHI-BQBZGAKWSA-N 1 0 240.225 0.153 10 0 BCAERO CCOC(=O)[C@@H]1C[NH2+]C[C@@H]1c1cnn(CC)c1 ZINC000233705767 635540906 /nfs/dbraw/zinc/54/09/06/635540906.db2.gz FFVKZERFZMXMFT-GHMZBOCLSA-N 1 0 237.303 0.769 10 0 BCAERO CC/C=C\CC(=O)NC[C@@H]1CC[NH2+]C[C@H]1O ZINC000096837167 631250759 /nfs/dbraw/zinc/25/07/59/631250759.db2.gz PDTNMRBYXFCIFL-CBZSPVTBSA-N 1 0 226.320 0.429 10 0 BCAERO Nc1[nH+]ccn1C[C@H]1C[C@@H]2COC[C@@H]2O1 ZINC000724644578 631284661 /nfs/dbraw/zinc/28/46/61/631284661.db2.gz DLPHIRTVAKRDHC-HLTSFMKQSA-N 1 0 209.249 0.269 10 0 BCAERO Cc1cccc(C(=O)NCC2CC([NH3+])C2)n1 ZINC000084447002 631438276 /nfs/dbraw/zinc/43/82/76/631438276.db2.gz CVRNJMRABAFGJK-UHFFFAOYSA-N 1 0 219.288 0.857 10 0 BCAERO COC[C@@H](C)[NH2+]CC[C@@H]1CCOC1=O ZINC000308618912 631446570 /nfs/dbraw/zinc/44/65/70/631446570.db2.gz SLNDRNWWHZLMDP-RKDXNWHRSA-N 1 0 201.266 0.564 10 0 BCAERO O=S(=O)(/C=C/c1ccccc1)NC1C[NH2+]C1 ZINC000085256356 631458886 /nfs/dbraw/zinc/45/88/86/631458886.db2.gz BTXAMRQUGYRKHF-VOTSOKGWSA-N 1 0 238.312 0.549 10 0 BCAERO C[C@H](CCO)[NH2+][C@@H]1CCC(=O)N[C@@H]1C ZINC000308654432 631466733 /nfs/dbraw/zinc/46/67/33/631466733.db2.gz NDIGGUYXKHTHBE-IWSPIJDZSA-N 1 0 200.282 0.014 10 0 BCAERO COC[C@H]([NH3+])C(=O)Nc1cccnc1OC ZINC000088003107 631486411 /nfs/dbraw/zinc/48/64/11/631486411.db2.gz BMBGGSPLGUUXNC-ZETCQYMHSA-N 1 0 225.248 0.002 10 0 BCAERO C[NH2+][C@@H](C)CNS(=O)(=O)CCC(C)C ZINC000234433064 631523049 /nfs/dbraw/zinc/52/30/49/631523049.db2.gz VOVXGXFPIMFLTE-VIFPVBQESA-N 1 0 222.354 0.560 10 0 BCAERO C[NH2+][C@@H](C)CNS(=O)(=O)c1cccc(C)c1 ZINC000234435626 631523895 /nfs/dbraw/zinc/52/38/95/631523895.db2.gz ZLERXMAFOFPAIV-JTQLQIEISA-N 1 0 242.344 0.881 10 0 BCAERO CO[C@@H](C)CC(=O)NC[C@H]1CC[NH2+]C1 ZINC000308891070 631714525 /nfs/dbraw/zinc/71/45/25/631714525.db2.gz WUVCFHNITORLSG-IUCAKERBSA-N 1 0 200.282 0.137 10 0 BCAERO C[C@H](CCO)[NH2+][C@H]1CCCn2ncnc21 ZINC000309010011 631796035 /nfs/dbraw/zinc/79/60/35/631796035.db2.gz RMAVARFXQWOBIC-BDAKNGLRSA-N 1 0 210.281 0.474 10 0 BCAERO COC[C@H]1C[NH2+]CCN1C[C@H]1CCCO1 ZINC000259254773 631835262 /nfs/dbraw/zinc/83/52/62/631835262.db2.gz QWOUZMNJXKTTAS-GHMZBOCLSA-N 1 0 214.309 0.086 10 0 BCAERO [NH3+]Cc1cn(CCC2CCOCC2)nn1 ZINC000309082317 631875229 /nfs/dbraw/zinc/87/52/29/631875229.db2.gz RLTLVFLZQLKVES-UHFFFAOYSA-N 1 0 210.281 0.554 10 0 BCAERO CCCNC(=O)CCC(=O)N1CCC[C@H]([NH3+])C1 ZINC000158391514 631878978 /nfs/dbraw/zinc/87/89/78/631878978.db2.gz BCTPFMMVILUPFZ-JTQLQIEISA-N 1 0 241.335 0.243 10 0 BCAERO O=C1NC[C@@H](C[N@H+]2CCC[C@H](CCO)C2)O1 ZINC000051916598 632013017 /nfs/dbraw/zinc/01/30/17/632013017.db2.gz JZZCDSJLZGMKMP-ZJUUUORDSA-N 1 0 228.292 0.189 10 0 BCAERO CC[NH2+][C@@H](Cn1nc(C)c(Cl)c1C)C(N)=O ZINC000050588179 632029306 /nfs/dbraw/zinc/02/93/06/632029306.db2.gz IIPJTMACJSXIHA-QMMMGPOBSA-N 1 0 244.726 0.617 10 0 BCAERO CCN(CC)C(=O)C[NH2+][C@@H]1CCCC[C@H]1O ZINC000052012984 632041058 /nfs/dbraw/zinc/04/10/58/632041058.db2.gz BMFVHPDACVQLFL-GHMZBOCLSA-N 1 0 228.336 0.748 10 0 BCAERO Cn1ncc2c1ncnc2NCC1CC([NH3+])C1 ZINC000091524975 632048757 /nfs/dbraw/zinc/04/87/57/632048757.db2.gz BUCLJQLCUQVRLT-UHFFFAOYSA-N 1 0 232.291 0.513 10 0 BCAERO CC[C@H]1CN(c2ccnc(C(N)=O)c2)CC[C@H]1[NH3+] ZINC000251541768 635704624 /nfs/dbraw/zinc/70/46/24/635704624.db2.gz ATRUQSGXTHXFIE-GXSJLCMTSA-N 1 0 248.330 0.744 10 0 BCAERO COC(=O)C[C@@H]([NH3+])[C@H](C)NC(=O)OC(C)(C)C ZINC000059161500 635708580 /nfs/dbraw/zinc/70/85/80/635708580.db2.gz GBBZCMKBIPHMJB-JGVFFNPUSA-N 1 0 246.307 0.790 10 0 BCAERO COCC(C)(C)NC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000158777472 632397767 /nfs/dbraw/zinc/39/77/67/632397767.db2.gz HLTOFYDQOPDLEQ-RKDXNWHRSA-N 1 0 214.309 0.383 10 0 BCAERO C[C@@H]([NH2+]C[C@@H]1CNC(=O)O1)c1ccnn1C ZINC000309549302 632481259 /nfs/dbraw/zinc/48/12/59/632481259.db2.gz HQVGJUVSQKDLSI-HTQZYQBOSA-N 1 0 224.264 0.179 10 0 BCAERO [NH3+]CC1CC(NS(=O)(=O)c2cccs2)C1 ZINC000309655884 632621209 /nfs/dbraw/zinc/62/12/09/632621209.db2.gz ZFMJALULZSSUJV-UHFFFAOYSA-N 1 0 246.357 0.764 10 0 BCAERO CC(C)[C@@H](C)NC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000085619011 632647158 /nfs/dbraw/zinc/64/71/58/632647158.db2.gz UANDCAIGPYJCQX-NXEZZACHSA-N 1 0 214.309 0.526 10 0 BCAERO C[C@@H]1C[NH2+][C@@H](C)CN1c1ccnc(N(C)C)n1 ZINC000086471380 632650597 /nfs/dbraw/zinc/65/05/97/632650597.db2.gz BZJCDDQCDJVIIA-VHSXEESVSA-N 1 0 235.335 0.729 10 0 BCAERO c1cc(-c2noc([C@H]3CC[NH2+]C3)n2)no1 ZINC000309690215 632651147 /nfs/dbraw/zinc/65/11/47/632651147.db2.gz IXUYIXOQTYEENK-LURJTMIESA-N 1 0 206.205 0.802 10 0 BCAERO C[C@@H]1CN(Cc2ncc(Cl)n2C)C[C@@H]1[NH3+] ZINC000235331399 632672214 /nfs/dbraw/zinc/67/22/14/632672214.db2.gz UQGQWIYSLOTDRG-SFYZADRCSA-N 1 0 228.727 0.853 10 0 BCAERO C[C@H](C[C@@H]1CCC(=O)N1)[NH2+][C@H]1CCC[C@@H](O)C1 ZINC000310382442 632733069 /nfs/dbraw/zinc/73/30/69/632733069.db2.gz BPULYMMKAQCLOD-NOOOWODRSA-N 1 0 240.347 0.937 10 0 BCAERO C[C@H](C[C@@H]1CCC(=O)N1)[NH2+][C@@H]1CCC[C@H](O)C1 ZINC000310382445 632733511 /nfs/dbraw/zinc/73/35/11/632733511.db2.gz BPULYMMKAQCLOD-WYUUTHIRSA-N 1 0 240.347 0.937 10 0 BCAERO Cc1ncn(C[C@H]([NH2+]C2CC2)C(N)=O)c1C ZINC000051928299 632766133 /nfs/dbraw/zinc/76/61/33/632766133.db2.gz SBZATHLPUJZNFC-JTQLQIEISA-N 1 0 222.292 0.106 10 0 BCAERO CC[N@@H+]1CCC[C@H]1CN(C)CN1CCCC1=O ZINC000177159346 632770179 /nfs/dbraw/zinc/77/01/79/632770179.db2.gz DIYYJFGONQKKSP-LBPRGKRZSA-N 1 0 239.363 0.982 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1CN1C[C@H](C)O[C@@H](C)C1 ZINC000235665086 632809334 /nfs/dbraw/zinc/80/93/34/632809334.db2.gz QAUOMXKOCLTFLF-RHYQMDGZSA-N 1 0 212.337 0.951 10 0 BCAERO C[C@H](C[C@@H]1CCC(=O)N1)[NH2+][C@@H]1CCO[C@H]1C ZINC000309261023 632854105 /nfs/dbraw/zinc/85/41/05/632854105.db2.gz QGQMMPRWVLDYBS-VPOLOUISSA-N 1 0 226.320 0.811 10 0 BCAERO Cc1cnn(CCNC(=O)c2c[nH+]ccc2N)c1 ZINC000235945406 632856118 /nfs/dbraw/zinc/85/61/18/632856118.db2.gz QUPUSPOQSOJLBX-UHFFFAOYSA-N 1 0 245.286 0.599 10 0 BCAERO Cc1nnc(N2CC[C@@](C)(C[NH3+])C2)nc1C ZINC000235963814 632857040 /nfs/dbraw/zinc/85/70/40/632857040.db2.gz YZJBNYFXHBPBJO-NSHDSACASA-N 1 0 221.308 0.664 10 0 BCAERO O=C(CC[NH2+]C1CC1)NC[C@H](O)C(F)(F)F ZINC000236528215 632963403 /nfs/dbraw/zinc/96/34/03/632963403.db2.gz LNOZWUYVJSEWBL-ZETCQYMHSA-N 1 0 240.225 0.168 10 0 BCAERO CC(C)(C)OC[C@@H](O)C[NH2+][C@H](CO)C1CC1 ZINC000309375183 632989743 /nfs/dbraw/zinc/98/97/43/632989743.db2.gz RCFBLRNKGGUMFE-WDEREUQCSA-N 1 0 231.336 0.523 10 0 BCAERO CC(C)C[NH+]1CCN([C@H]2CC[C@H]2O)CC1 ZINC000704061122 633045998 /nfs/dbraw/zinc/04/59/98/633045998.db2.gz SEUYCRASACSKSF-NWDGAFQWSA-N 1 0 212.337 0.783 10 0 BCAERO C[C@@H](C[NH2+]Cc1cnc[nH]1)N1CCOCC1 ZINC000163786253 633062785 /nfs/dbraw/zinc/06/27/85/633062785.db2.gz PZIMCQFYBVIZMT-JTQLQIEISA-N 1 0 224.308 0.220 10 0 BCAERO CCN1C[C@H](C)[C@H]([NH2+]Cc2cncnc2)C1 ZINC000309451258 633085013 /nfs/dbraw/zinc/08/50/13/633085013.db2.gz LFMABRYEBNQHCY-CMPLNLGQSA-N 1 0 220.320 0.906 10 0 BCAERO CCOC(=O)[C@@H]1C[NH2+]C[C@@H]1c1cncn1CC ZINC000166555023 633117307 /nfs/dbraw/zinc/11/73/07/633117307.db2.gz OKFFDFDCHFHMOT-VHSXEESVSA-N 1 0 237.303 0.769 10 0 BCAERO COC(=O)C(=O)[C@@H](C)[C@H]1CCCCC[NH2+]1 ZINC000168398553 633143172 /nfs/dbraw/zinc/14/31/72/633143172.db2.gz LBFSLVRXUGXIAP-DTWKUNHWSA-N 1 0 213.277 0.897 10 0 BCAERO CCn1c(C)nnc1C[NH2+][C@H](CO)C1CC1 ZINC000309520803 633186663 /nfs/dbraw/zinc/18/66/63/633186663.db2.gz ALGKOLXJLUFSOK-SNVBAGLBSA-N 1 0 224.308 0.467 10 0 BCAERO C[C@H]1[NH2+]CCC[C@H]1NC(=O)C(C)(F)F ZINC000306225339 635959353 /nfs/dbraw/zinc/95/93/53/635959353.db2.gz AZGXVLZAYCQGRL-RNFRBKRXSA-N 1 0 206.236 0.898 10 0 BCAERO Cc1cc(C(=O)N[C@@H]2CCC[NH2+][C@H]2C)on1 ZINC000129442991 636063428 /nfs/dbraw/zinc/06/34/28/636063428.db2.gz RUFWKKFFJUELJN-DTWKUNHWSA-N 1 0 223.276 0.853 10 0 BCAERO CCCCC[C@H](O)CC(=O)N[C@@H](C)C[NH3+] ZINC000309819594 633784034 /nfs/dbraw/zinc/78/40/34/633784034.db2.gz WASDHZHGYNVYFK-UWVGGRQHSA-N 1 0 216.325 0.781 10 0 BCAERO CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CSCN2)C1 ZINC000040503525 633817054 /nfs/dbraw/zinc/81/70/54/633817054.db2.gz AEEYXPFAENLWLP-UWVGGRQHSA-N 1 0 243.376 0.249 10 0 BCAERO c1nc(CN2CCO[C@@H]3C[NH2+]C[C@@H]32)cs1 ZINC000309637115 633978600 /nfs/dbraw/zinc/97/86/00/633978600.db2.gz MZIVXOKYXKMIGY-VHSXEESVSA-N 1 0 225.317 0.316 10 0 BCAERO CC[C@H](O)C[NH2+][C@H]1CCN(C(C)=O)C[C@@H]1C ZINC000309722653 633998226 /nfs/dbraw/zinc/99/82/26/633998226.db2.gz WPDIOUIHXBFZMD-DLOVCJGASA-N 1 0 228.336 0.604 10 0 BCAERO CC(C)OC(=O)CNC(=O)C1CCC([NH3+])CC1 ZINC000312261611 634005057 /nfs/dbraw/zinc/00/50/57/634005057.db2.gz XHASXUHVJSSKJL-UHFFFAOYSA-N 1 0 242.319 0.572 10 0 BCAERO CC(C)OC(=O)CNC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000312255809 634006759 /nfs/dbraw/zinc/00/67/59/634006759.db2.gz OEAROVFZUHHJSV-JTQLQIEISA-N 1 0 242.319 0.444 10 0 BCAERO C[C@@H]1OCC[C@H]1NC(=O)CC[C@H]1CC[NH2+]C1 ZINC000252737588 634139247 /nfs/dbraw/zinc/13/92/47/634139247.db2.gz BWHXJGHIMOAABD-GARJFASQSA-N 1 0 226.320 0.670 10 0 BCAERO CC(C)(C)OC(=O)N1CC[C@@](O)(CC[NH3+])C1 ZINC000082347435 634217271 /nfs/dbraw/zinc/21/72/71/634217271.db2.gz QHPCJWKHVCOCAF-NSHDSACASA-N 1 0 230.308 0.707 10 0 BCAERO CC[C@@H]1CN(C(C)=O)CC[C@@H]1[NH2+]CCOC ZINC000393814362 634230429 /nfs/dbraw/zinc/23/04/29/634230429.db2.gz UUULJTBDSOATBH-NEPJUHHUSA-N 1 0 228.336 0.869 10 0 BCAERO CCN(C(=O)[C@@H]([NH3+])CO)c1ccccc1 ZINC000220318106 634259985 /nfs/dbraw/zinc/25/99/85/634259985.db2.gz YRXSRXLCUODOCO-JTQLQIEISA-N 1 0 208.261 0.359 10 0 BCAERO CON1CCC([NH2+]CCn2cc(C)cn2)CC1 ZINC000323447107 634284951 /nfs/dbraw/zinc/28/49/51/634284951.db2.gz DXCKXSQJHGZAGR-UHFFFAOYSA-N 1 0 238.335 0.807 10 0 BCAERO C[NH2+]C[C@H]1CCCCN1c1ncnc2nc[nH]c21 ZINC000053706520 634327528 /nfs/dbraw/zinc/32/75/28/634327528.db2.gz HJSFDJQHQKNAFO-SECBINFHSA-N 1 0 246.318 0.931 10 0 BCAERO COC(=O)N[C@@H](CC(C)C)C(=O)NC[C@@H](C)[NH3+] ZINC000194917128 634341102 /nfs/dbraw/zinc/34/11/02/634341102.db2.gz UFUDPPAZDKRZMI-BDAKNGLRSA-N 1 0 245.323 0.221 10 0 BCAERO Cc1nc(N2CC[N@@H+]3CCC[C@@H]3C2)cc(=O)[nH]1 ZINC000162881884 635145792 /nfs/dbraw/zinc/14/57/92/635145792.db2.gz YLJAYNFSGDDZIX-SNVBAGLBSA-N 1 0 234.303 0.775 10 0 BCAERO CC[N@@H+]1CCC[C@@H]1CN(C)c1cc(=O)[nH]cn1 ZINC000162884678 635145868 /nfs/dbraw/zinc/14/58/68/635145868.db2.gz GMARECHYWQGIDF-SNVBAGLBSA-N 1 0 236.319 0.690 10 0 BCAERO CCN1CCO[C@@H](C[NH2+]C2CCC(O)CC2)C1 ZINC000233484596 635154861 /nfs/dbraw/zinc/15/48/61/635154861.db2.gz FCYNODKXKZFPOF-BPCQOVAHSA-N 1 0 242.363 0.600 10 0 BCAERO O=C1NCCC[C@@H]1[NH2+][C@H]1CCCc2n[nH]cc21 ZINC000336519784 635171495 /nfs/dbraw/zinc/17/14/95/635171495.db2.gz QBFBSHPXFXKKIQ-ONGXEEELSA-N 1 0 234.303 0.655 10 0 BCAERO CN(Cc1ccncc1)C(=O)C1CC([NH3+])C1 ZINC000258802432 635204875 /nfs/dbraw/zinc/20/48/75/635204875.db2.gz WDEHCQXNYAXSHT-UHFFFAOYSA-N 1 0 219.288 0.777 10 0 BCAERO [NH3+]C1CC(C(=O)NCc2ccc3c(c2)OCO3)C1 ZINC000258838199 635212260 /nfs/dbraw/zinc/21/22/60/635212260.db2.gz WPFZCXXEDLZYCT-UHFFFAOYSA-N 1 0 248.282 0.769 10 0 BCAERO CN(C(=O)[C@@H]([NH3+])CO)C1CCCCC1 ZINC000258923412 635225074 /nfs/dbraw/zinc/22/50/74/635225074.db2.gz KQXMCOJLOLZDAH-VIFPVBQESA-N 1 0 200.282 0.097 10 0 BCAERO CS(=O)(=O)c1ccc(NCC2([NH3+])CC2)cc1 ZINC000259231984 635259195 /nfs/dbraw/zinc/25/91/95/635259195.db2.gz YLVLHRNBXNYZJT-UHFFFAOYSA-N 1 0 240.328 0.993 10 0 BCAERO C[NH2+][C@H](C)C(=O)Nc1ccc(-n2ccnc2)nc1 ZINC000054073755 635345967 /nfs/dbraw/zinc/34/59/67/635345967.db2.gz KSTZPNIBIKGETD-SECBINFHSA-N 1 0 245.286 0.814 10 0 BCAERO C[NH2+][C@@H](C)CNC(=O)c1ccc2c(c1)CCO2 ZINC000234430606 635553289 /nfs/dbraw/zinc/55/32/89/635553289.db2.gz NQQSKFFXKOYSIV-VIFPVBQESA-N 1 0 234.299 0.959 10 0 BCAERO CONC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000247324180 635664068 /nfs/dbraw/zinc/66/40/68/635664068.db2.gz MPZYJQGWMNCXLK-RKDXNWHRSA-N 1 0 215.297 0.576 10 0 BCAERO CC[C@H]1CN(C(C)=O)CC[C@H]1[NH2+]CCCO ZINC000393775151 636627559 /nfs/dbraw/zinc/62/75/59/636627559.db2.gz MABYDKDNOMVHIQ-NWDGAFQWSA-N 1 0 228.336 0.605 10 0 BCAERO CC[C@@H]1CN(C(C)=O)CC[C@H]1[NH2+]CCCO ZINC000393775153 636628640 /nfs/dbraw/zinc/62/86/40/636628640.db2.gz MABYDKDNOMVHIQ-VXGBXAGGSA-N 1 0 228.336 0.605 10 0 BCAERO Cc1cc(NCCN2CCC([NH3+])CC2)ncn1 ZINC000321382676 636641314 /nfs/dbraw/zinc/64/13/14/636641314.db2.gz PSVOLCAEINVJIX-UHFFFAOYSA-N 1 0 235.335 0.620 10 0 BCAERO CC(C)(O)C[N@@H+]1CCC[C@@H](CCO)C1 ZINC000051896885 636668030 /nfs/dbraw/zinc/66/80/30/636668030.db2.gz DELXSNORQPPAEW-JTQLQIEISA-N 1 0 201.310 0.852 10 0 BCAERO CCn1ncnc1[C@@H]([NH3+])Cc1c[nH]cn1 ZINC000054498866 636743137 /nfs/dbraw/zinc/74/31/37/636743137.db2.gz JFOUTFFCTUBYIT-QMMMGPOBSA-N 1 0 206.253 0.264 10 0 BCAERO CS[C@H](C)C(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000237418944 636769188 /nfs/dbraw/zinc/76/91/88/636769188.db2.gz QCQMSJOLUCYCBV-HLTSFMKQSA-N 1 0 216.350 0.982 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)C[C@@H]1CCCO1 ZINC000083522016 636872064 /nfs/dbraw/zinc/87/20/64/636872064.db2.gz HEWANKILYGPPOR-GARJFASQSA-N 1 0 226.320 0.799 10 0 BCAERO COc1cc(NCC[C@@H]2CC[NH2+]C2)ncn1 ZINC000085481352 636876953 /nfs/dbraw/zinc/87/69/53/636876953.db2.gz KSXAPDFUAUZGQR-VIFPVBQESA-N 1 0 222.292 0.897 10 0 BCAERO CN(C)c1nccc(NCC[C@@H]2CC[NH2+]C2)n1 ZINC000085432164 636877448 /nfs/dbraw/zinc/87/74/48/636877448.db2.gz HUIQJXSAHLJUPZ-JTQLQIEISA-N 1 0 235.335 0.954 10 0 BCAERO C[C@H]1[NH2+]CCC[C@@H]1C(=O)Nc1ccnn1C ZINC000087122719 636893755 /nfs/dbraw/zinc/89/37/55/636893755.db2.gz XWCZUTBPLKVFHO-BDAKNGLRSA-N 1 0 222.292 0.747 10 0 BCAERO CCON1CCC([NH2+]CCn2cncn2)CC1 ZINC000323151774 636901977 /nfs/dbraw/zinc/90/19/77/636901977.db2.gz FTAHKGFOLTUNFX-UHFFFAOYSA-N 1 0 239.323 0.284 10 0 BCAERO CC[C@H](NS(=O)(=O)N1CC[NH2+]CC1)C(C)C ZINC000042594480 637295387 /nfs/dbraw/zinc/29/53/87/637295387.db2.gz GFLWKTFNGXRVAD-JTQLQIEISA-N 1 0 249.380 0.161 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000251753968 637345965 /nfs/dbraw/zinc/34/59/65/637345965.db2.gz SPYSZMHCVASWJJ-GMTAPVOTSA-N 1 0 228.336 0.996 10 0 BCAERO CC[C@@H](C(=O)N[C@@H]1CCC(=O)N[C@H]1C)[NH+](C)C ZINC000908004804 638546022 /nfs/dbraw/zinc/54/60/22/638546022.db2.gz UZMOQAYUHKFEKK-AEJSXWLSSA-N 1 0 241.335 0.110 10 0 BCAERO C[C@H](O)[C@@H]([NH3+])c1nc(-c2cccs2)nn1C ZINC000054699805 640320469 /nfs/dbraw/zinc/32/04/69/640320469.db2.gz SCPGWUICQWREON-POYBYMJQSA-N 1 0 238.316 0.924 10 0 BCAERO C[C@H]1C[C@@H]1c1noc([C@H]2C[C@@H](O)C[NH2+]2)n1 ZINC000163753756 640415459 /nfs/dbraw/zinc/41/54/59/640415459.db2.gz YBWCCKXBWWXLQN-FKSUSPILSA-N 1 0 209.249 0.588 10 0 BCAERO CC(C)(C)CNC(=O)C1(C[NH3+])CCOCC1 ZINC000044763160 640461217 /nfs/dbraw/zinc/46/12/17/640461217.db2.gz KOLVNCDHIKMGLX-UHFFFAOYSA-N 1 0 228.336 0.904 10 0 BCAERO C[C@H](C[NH3+])C(=O)N[C@H](C)[C@@H]1CCCO1 ZINC000044801328 640465229 /nfs/dbraw/zinc/46/52/29/640465229.db2.gz FSXXASCFHCGNQR-HLTSFMKQSA-N 1 0 200.282 0.265 10 0 BCAERO Cc1c(Cl)cccc1NC(=O)[C@@H]([NH3+])CO ZINC000222388465 640484393 /nfs/dbraw/zinc/48/43/93/640484393.db2.gz XUEJMMMSHGRPDJ-QMMMGPOBSA-N 1 0 228.679 0.907 10 0 BCAERO CCOC(=O)[C@H]1C[NH2+]C[C@H]1c1ccnn1C ZINC000164781282 640505920 /nfs/dbraw/zinc/50/59/20/640505920.db2.gz LGKXENNVBBBGPA-BDAKNGLRSA-N 1 0 223.276 0.286 10 0 BCAERO CCn1nccc1[C@H]1C[NH2+]C[C@@H]1C(=O)OC ZINC000164959273 640524266 /nfs/dbraw/zinc/52/42/66/640524266.db2.gz CTGSIUHVRIULMQ-IUCAKERBSA-N 1 0 223.276 0.379 10 0 BCAERO Cc1cc(C)n(CCC[C@@](C)([NH3+])C(N)=O)n1 ZINC000045433346 640556648 /nfs/dbraw/zinc/55/66/48/640556648.db2.gz WDSGNXVBQGVZKI-LLVKDONJSA-N 1 0 224.308 0.483 10 0 BCAERO CC(C)c1nccn1CC[C@](C)([NH3+])C(N)=O ZINC000045430722 640558159 /nfs/dbraw/zinc/55/81/59/640558159.db2.gz WSFLHLQTXNPUHF-NSHDSACASA-N 1 0 224.308 0.599 10 0 BCAERO COC(=O)[C@@](C)([NH3+])CCn1nc(C)nc1C ZINC000045459733 640563402 /nfs/dbraw/zinc/56/34/02/640563402.db2.gz IRBGQNVIVZVFPF-JTQLQIEISA-N 1 0 226.280 0.175 10 0 BCAERO CCc1nccn1CCC[C@](C)([NH3+])C(N)=O ZINC000045460321 640566392 /nfs/dbraw/zinc/56/63/92/640566392.db2.gz NUTUKDYOPHDDTG-NSHDSACASA-N 1 0 224.308 0.428 10 0 BCAERO NC(=O)[C@H]([NH3+])Cn1ccnc1-c1cccs1 ZINC000045461363 640566862 /nfs/dbraw/zinc/56/68/62/640566862.db2.gz QMFBYQAPYBSZAL-SSDOTTSWSA-N 1 0 236.300 0.424 10 0 BCAERO C[C@@H]1CN(c2cc(=O)[nH]cn2)C[C@@H]1[NH+](C)C ZINC000165432517 640579731 /nfs/dbraw/zinc/57/97/31/640579731.db2.gz GKWSHNCXPSPHSF-BDAKNGLRSA-N 1 0 222.292 0.156 10 0 BCAERO COc1cc(C)nc(N(C)[C@H]2CC[NH2+]C2)n1 ZINC000166461345 640643605 /nfs/dbraw/zinc/64/36/05/640643605.db2.gz TVKQUVVIKAPQEA-VIFPVBQESA-N 1 0 222.292 0.592 10 0 BCAERO CCCOc1ccnc(N(C)CC[NH3+])n1 ZINC000166553980 640648245 /nfs/dbraw/zinc/64/82/45/640648245.db2.gz UNBLBJHUXRCIHC-UHFFFAOYSA-N 1 0 210.281 0.660 10 0 BCAERO C[C@@H]([NH2+]C[C@@H](O)CO)c1ccc(F)c(F)c1 ZINC000078430175 640673434 /nfs/dbraw/zinc/67/34/34/640673434.db2.gz BNIBXIADMJQIEQ-VXNVDRBHSA-N 1 0 231.242 0.969 10 0 BCAERO C[C@H]([NH2+]C[C@@H](O)CO)c1ccc(F)c(F)c1 ZINC000078430172 640673614 /nfs/dbraw/zinc/67/36/14/640673614.db2.gz BNIBXIADMJQIEQ-IONNQARKSA-N 1 0 231.242 0.969 10 0 BCAERO CO[C@@H](C)CCC(=O)NCC1CC([NH3+])C1 ZINC000166825267 640682486 /nfs/dbraw/zinc/68/24/86/640682486.db2.gz JOBBOSGWLAFPLO-IDKOKCKLSA-N 1 0 214.309 0.655 10 0 BCAERO CC(C)[C@H]([NH3+])C(=O)N1CCS[C@@H](C)C1 ZINC000157592174 640697234 /nfs/dbraw/zinc/69/72/34/640697234.db2.gz ZZSQIJMAZJHQAN-IUCAKERBSA-N 1 0 216.350 0.934 10 0 BCAERO O=C(C[NH2+]CC1CC1)NC[C@@H](O)C(F)(F)F ZINC000226321005 640748336 /nfs/dbraw/zinc/74/83/36/640748336.db2.gz HXXCMUUVPWMVHC-SSDOTTSWSA-N 1 0 240.225 0.025 10 0 BCAERO NC[C@@H]1CCC[N@@H+]1CCCCCCO ZINC000226426197 640763852 /nfs/dbraw/zinc/76/38/52/640763852.db2.gz DRADVRPGYITMSL-NSHDSACASA-N 1 0 200.326 0.962 10 0 BCAERO COC(=O)C[C@@H]([NH3+])[C@@H](C)NC(=O)OC(C)(C)C ZINC000059161501 640789620 /nfs/dbraw/zinc/78/96/20/640789620.db2.gz GBBZCMKBIPHMJB-HTQZYQBOSA-N 1 0 246.307 0.790 10 0 BCAERO O=C(NC[C@H]1CSCCS1)[C@@H]1CC[NH2+]C1 ZINC000158192423 640819886 /nfs/dbraw/zinc/81/98/86/640819886.db2.gz BJVGHAPZEOKARU-BDAKNGLRSA-N 1 0 246.401 0.561 10 0 BCAERO CNc1cc(N2C[C@H](C)[C@H]([NH+](C)C)C2)ncn1 ZINC000227249998 640821899 /nfs/dbraw/zinc/82/18/99/640821899.db2.gz DBNWYGUXIHWKDJ-VHSXEESVSA-N 1 0 235.335 0.905 10 0 BCAERO CC(C)OC[C@@H](O)CN1CCC[C@@H]1C[NH3+] ZINC000168933352 640833037 /nfs/dbraw/zinc/83/30/37/640833037.db2.gz WGXASWAASUYBLT-MNOVXSKESA-N 1 0 216.325 0.195 10 0 BCAERO CCCCOC[C@H](O)CN1CC[NH2+]CC1(C)C ZINC000227910777 640853549 /nfs/dbraw/zinc/85/35/49/640853549.db2.gz AXQKMBLFEUXILP-GFCCVEGCSA-N 1 0 244.379 0.848 10 0 BCAERO CCCCOC[C@H](O)CN(CC)[C@@H]1CC[NH2+]C1 ZINC000227910459 640854075 /nfs/dbraw/zinc/85/40/75/640854075.db2.gz UHWZSAHACBUCBP-CHWSQXEVSA-N 1 0 244.379 0.848 10 0 BCAERO Cc1nsc(N2CCO[C@@H]([C@H](C)[NH3+])C2)n1 ZINC000228377082 640873037 /nfs/dbraw/zinc/87/30/37/640873037.db2.gz TUXQYNURPCFBLE-POYBYMJQSA-N 1 0 228.321 0.399 10 0 BCAERO CCCNC(=O)C[N@@H+]1C[C@H](C)[C@@H](C(=O)OC)C1 ZINC000228698747 640890164 /nfs/dbraw/zinc/89/01/64/640890164.db2.gz ROFDICAMLDEBBV-UWVGGRQHSA-N 1 0 242.319 0.254 10 0 BCAERO COC(=O)[C@@H]1C[NH2+]C[C@@]12CCCOCC2 ZINC000229202722 640931654 /nfs/dbraw/zinc/93/16/54/640931654.db2.gz RTEVQKMBRRQCPR-ONGXEEELSA-N 1 0 213.277 0.566 10 0 BCAERO COC(=O)[C@H]1C[NH2+]C[C@@]12CCCOCC2 ZINC000229202741 640931743 /nfs/dbraw/zinc/93/17/43/640931743.db2.gz RTEVQKMBRRQCPR-KOLCDFICSA-N 1 0 213.277 0.566 10 0 BCAERO CCn1cncc1[C@H]1C[NH2+]C[C@H]1C(=O)OC ZINC000229206640 640932999 /nfs/dbraw/zinc/93/29/99/640932999.db2.gz DKTXVAMLOMJJND-DTWKUNHWSA-N 1 0 223.276 0.379 10 0 BCAERO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1c1cnn(C)c1 ZINC000229215717 640933673 /nfs/dbraw/zinc/93/36/73/640933673.db2.gz MVORICMWVWFIJG-VHSXEESVSA-N 1 0 223.276 0.286 10 0 BCAERO CCOC(=O)[C@H]1C[NH2+]C[C@@]12CCCOCC2 ZINC000229213484 640933677 /nfs/dbraw/zinc/93/36/77/640933677.db2.gz ZOHPWOOOJUTCLD-PWSUYJOCSA-N 1 0 227.304 0.956 10 0 BCAERO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1C1CCOCC1 ZINC000229222765 640934331 /nfs/dbraw/zinc/93/43/31/640934331.db2.gz OBRBLOHTGVNYMY-WDEREUQCSA-N 1 0 227.304 0.812 10 0 BCAERO C[NH2+][C@H](C)C(=O)NC[C@@H]1CSCCS1 ZINC000229607254 640968732 /nfs/dbraw/zinc/96/87/32/640968732.db2.gz CIPPWEGZBSXNRW-HTQZYQBOSA-N 1 0 234.390 0.559 10 0 BCAERO O=C(NC[C@H]1CC[NH2+]C1)c1cnn2ccccc12 ZINC000230072902 641013199 /nfs/dbraw/zinc/01/31/99/641013199.db2.gz GACPXSZDRLIFIC-JTQLQIEISA-N 1 0 244.298 0.674 10 0 BCAERO c1cn2c(n1)CN(C[C@H]1CCC[NH2+]C1)CC2 ZINC000062252196 641028486 /nfs/dbraw/zinc/02/84/86/641028486.db2.gz AZCXAAUVLWEHTB-NSHDSACASA-N 1 0 220.320 0.698 10 0 BCAERO [NH3+][C@H]1CCC[C@@H](C(=O)N2CCn3ccnc3C2)C1 ZINC000062331086 641039832 /nfs/dbraw/zinc/03/98/32/641039832.db2.gz QNGJXLYRFMCTNZ-MNOVXSKESA-N 1 0 248.330 0.743 10 0 BCAERO COc1ncc(Cl)c(NCC[NH3+])n1 ZINC000087798776 641049245 /nfs/dbraw/zinc/04/92/45/641049245.db2.gz YQUFPBZIGCKKHQ-UHFFFAOYSA-N 1 0 202.645 0.509 10 0 BCAERO CC(C)C[NH+]1CCN(CC[C@@H]([NH3+])C(=O)[O-])CC1 ZINC000062532249 641057959 /nfs/dbraw/zinc/05/79/59/641057959.db2.gz ZMJUGLMWNOXDJB-LLVKDONJSA-N 1 0 243.351 0.062 10 0 BCAERO CCc1c(C)nn(CC[C@@H]([NH3+])C(N)=O)c1C ZINC000062536746 641059478 /nfs/dbraw/zinc/05/94/78/641059478.db2.gz IUIXERCZTWGYPN-SNVBAGLBSA-N 1 0 224.308 0.265 10 0 BCAERO CCOC(=O)[C@H]([NH3+])CCn1nc(C)nc1C ZINC000062537063 641059752 /nfs/dbraw/zinc/05/97/52/641059752.db2.gz CNPCHRZXOUGAII-SECBINFHSA-N 1 0 226.280 0.175 10 0 BCAERO NC(=O)[C@@H]([NH3+])CCn1ccc(C(F)(F)F)n1 ZINC000062537080 641059950 /nfs/dbraw/zinc/05/99/50/641059950.db2.gz FROXZCBDCRMYDY-YFKPBYRVSA-N 1 0 236.197 0.105 10 0 BCAERO Cc1cc(NCC2CC(O)C2)nc(N)[nH+]1 ZINC000087837535 641065391 /nfs/dbraw/zinc/06/53/91/641065391.db2.gz PKNYJBVMYAMFOF-UHFFFAOYSA-N 1 0 208.265 0.550 10 0 BCAERO CCC(CC)NC(=O)[C@H](C)OC1C[NH2+]C1 ZINC000062809804 641093397 /nfs/dbraw/zinc/09/33/97/641093397.db2.gz HDEDTUKUQZWMFM-QMMMGPOBSA-N 1 0 214.309 0.668 10 0 BCAERO CCC[C@@H](C)NC(=O)[C@@H](C)OC1C[NH2+]C1 ZINC000062809805 641094281 /nfs/dbraw/zinc/09/42/81/641094281.db2.gz ANEFTIVMLSKFPU-RKDXNWHRSA-N 1 0 214.309 0.668 10 0 BCAERO C[NH+](C)[C@@H]1CCN(Cc2ccc(N)nc2)C1 ZINC000062969299 641112242 /nfs/dbraw/zinc/11/22/42/641112242.db2.gz FXCOXUAVIBKWHJ-LLVKDONJSA-N 1 0 220.320 0.800 10 0 BCAERO O=C(C[C@H]1CC[NH2+]C1)NC[C@@H](O)C(F)(F)F ZINC000230946984 641118820 /nfs/dbraw/zinc/11/88/20/641118820.db2.gz LZBNTONBSOOQRS-RNFRBKRXSA-N 1 0 240.225 0.025 10 0 BCAERO CCCCOC(=O)CN1CC[C@@H]([NH+](C)C)C1 ZINC000062966195 641118975 /nfs/dbraw/zinc/11/89/75/641118975.db2.gz KWMRBEQWUBXFQZ-LLVKDONJSA-N 1 0 228.336 0.966 10 0 BCAERO C[C@H]([NH3+])CCNC(=O)Cc1cccc(O)c1 ZINC000063169887 641142070 /nfs/dbraw/zinc/14/20/70/641142070.db2.gz IZTXEHFPFHIRBK-VIFPVBQESA-N 1 0 222.288 0.788 10 0 BCAERO C[C@@H]([NH3+])CCNC(=O)Cc1ccc(O)cc1 ZINC000063170175 641142338 /nfs/dbraw/zinc/14/23/38/641142338.db2.gz YRBIEWIWRCWQAY-SECBINFHSA-N 1 0 222.288 0.788 10 0 BCAERO C[C@@H]([NH3+])CCNC(=O)Cc1cccc(O)c1 ZINC000063169888 641143387 /nfs/dbraw/zinc/14/33/87/641143387.db2.gz IZTXEHFPFHIRBK-SECBINFHSA-N 1 0 222.288 0.788 10 0 BCAERO Nc1cnc(C[N@@H+]2CCC[C@H]2CCCO)cn1 ZINC000231298962 641157883 /nfs/dbraw/zinc/15/78/83/641157883.db2.gz KLWVMDGAFVNITN-NSHDSACASA-N 1 0 236.319 0.796 10 0 BCAERO CCn1cc([C@H]2C[NH2+]C[C@H]2C(=O)OC)cn1 ZINC000234256558 641158316 /nfs/dbraw/zinc/15/83/16/641158316.db2.gz JUSRWPQSLJKOMQ-NXEZZACHSA-N 1 0 223.276 0.379 10 0 BCAERO Nc1cnc(C[N@@H+]2CC[C@H](CCO)C2)cn1 ZINC000231303184 641159078 /nfs/dbraw/zinc/15/90/78/641159078.db2.gz KTITYHGBWZQAFM-SECBINFHSA-N 1 0 222.292 0.263 10 0 BCAERO CCn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)OC)cn1 ZINC000234256518 641159676 /nfs/dbraw/zinc/15/96/76/641159676.db2.gz JUSRWPQSLJKOMQ-ZJUUUORDSA-N 1 0 223.276 0.379 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N1CCC[C@H](C)C1 ZINC000088002193 641221845 /nfs/dbraw/zinc/22/18/45/641221845.db2.gz BEKSDEVAVBPAGA-DTWKUNHWSA-N 1 0 200.282 0.219 10 0 BCAERO COC[C@@H]([NH3+])C(=O)NCc1ccccc1Cl ZINC000088002295 641223765 /nfs/dbraw/zinc/22/37/65/641223765.db2.gz NNECSBUMLMHIEI-SNVBAGLBSA-N 1 0 242.706 0.930 10 0 BCAERO CC(C)CNC(=O)CN1C[C@H]([NH3+])[C@@H](C)C1 ZINC000232596117 641304553 /nfs/dbraw/zinc/30/45/53/641304553.db2.gz YHMVTSCPPAVKDZ-UWVGGRQHSA-N 1 0 213.325 0.038 10 0 BCAERO Cc1cccc([C@@H](C)[NH2+]C[C@H](O)CO)c1 ZINC000088162242 641319748 /nfs/dbraw/zinc/31/97/48/641319748.db2.gz PYXVXADTOCZHPB-PWSUYJOCSA-N 1 0 209.289 0.999 10 0 BCAERO COC(=O)NC(C)(C)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000157761033 641623220 /nfs/dbraw/zinc/62/32/20/641623220.db2.gz RNLNDLWYMUXVOD-QMMMGPOBSA-N 1 0 243.307 0.071 10 0 BCAERO Cc1cc(=O)[nH]cc1C(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000158022137 641627583 /nfs/dbraw/zinc/62/75/83/641627583.db2.gz OJVVGZWFGMSRAJ-KOLCDFICSA-N 1 0 249.314 0.541 10 0 BCAERO CSCC[C@@H](C)NC(=O)[C@@H]1CC[NH2+]C1 ZINC000158331849 641631401 /nfs/dbraw/zinc/63/14/01/641631401.db2.gz LSRZOXDLVGMHNT-RKDXNWHRSA-N 1 0 216.350 0.854 10 0 BCAERO CCO[C@@H](C)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000158445175 641636057 /nfs/dbraw/zinc/63/60/57/641636057.db2.gz DPTCVUFOBRDWRE-IUCAKERBSA-N 1 0 200.282 0.361 10 0 BCAERO Cc1nnc(NC[C@H]2CC[NH2+]C2)nc1C ZINC000158983244 641660042 /nfs/dbraw/zinc/66/00/42/641660042.db2.gz QCKUNMXDVMWVTR-VIFPVBQESA-N 1 0 207.281 0.510 10 0 BCAERO CN(C)S(=O)(=O)C[C@@H]([NH3+])C1CCCCC1 ZINC000075418154 641757738 /nfs/dbraw/zinc/75/77/38/641757738.db2.gz FVNPEMDTRZYXHU-SNVBAGLBSA-N 1 0 234.365 0.785 10 0 BCAERO CN1C[C@@H](CC[NH2+][C@@H]2CCCC[C@H]2O)CC1=O ZINC000723390810 711510366 /nfs/dbraw/zinc/51/03/66/711510366.db2.gz GPOWTTHBJYGLPQ-QJPTWQEYSA-N 1 0 240.347 0.748 10 0 BCAERO CN1C[C@H](CC[NH2+]C[C@H](O)C(C)(C)C)CC1=O ZINC000723396669 711510414 /nfs/dbraw/zinc/51/04/14/711510414.db2.gz JEWFERYABOXFNE-MNOVXSKESA-N 1 0 242.363 0.851 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N[C@](C)(CCC)C(=O)OC ZINC000154208696 641980607 /nfs/dbraw/zinc/98/06/07/641980607.db2.gz UZMJBQPZJOKAOF-JOYOIKCWSA-N 1 0 244.335 0.962 10 0 BCAERO CC1(C)C[C@H]1c1noc(-c2cn(CC[NH3+])nn2)n1 ZINC000232871280 642008030 /nfs/dbraw/zinc/00/80/30/642008030.db2.gz QWTDFHPHBXDZGH-ZETCQYMHSA-N 1 0 248.290 0.800 10 0 BCAERO c1nc2ncnc(NC[C@@H]3C[NH2+]CCOC3)c2[nH]1 ZINC000072156159 642311427 /nfs/dbraw/zinc/31/14/27/642311427.db2.gz GNUVIQRQPUXWDR-QMMMGPOBSA-N 1 0 248.290 0.001 10 0 BCAERO C[C@@H]1CN(C[C@@H](O)C(F)(F)F)C[C@@H]1[NH3+] ZINC000235374931 642463756 /nfs/dbraw/zinc/46/37/56/642463756.db2.gz QAOXMEUSKAAUGJ-DSYKOEDSSA-N 1 0 212.215 0.189 10 0 BCAERO CCC[C@@H]1C[C@H]1NC(=O)[C@@H]([NH3+])CCOC ZINC000233303251 642659125 /nfs/dbraw/zinc/65/91/25/642659125.db2.gz VVMJRFIGZPWJQK-KXUCPTDWSA-N 1 0 214.309 0.655 10 0 BCAERO CCC[C@H]1C[C@H]1[NH2+]CCS(C)(=O)=O ZINC000233400756 642667716 /nfs/dbraw/zinc/66/77/16/642667716.db2.gz HHSQMNBWUPIVFO-DTWKUNHWSA-N 1 0 205.323 0.809 10 0 BCAERO CCOC(=O)[C@H]1C[NH2+]C[C@H]1c1cnn(CC)c1 ZINC000233699099 642692049 /nfs/dbraw/zinc/69/20/49/642692049.db2.gz FFVKZERFZMXMFT-QWRGUYRKSA-N 1 0 237.303 0.769 10 0 BCAERO CC(C)OC[C@@H](O)CN1CC[NH2+]C[C@@H]1C ZINC000069660975 642892933 /nfs/dbraw/zinc/89/29/33/642892933.db2.gz HZMDTICQPLVDGL-QWRGUYRKSA-N 1 0 216.325 0.066 10 0 BCAERO CC(C)OC[C@H](O)CN1CCCC[C@@H]1C[NH3+] ZINC000069660941 642893395 /nfs/dbraw/zinc/89/33/95/642893395.db2.gz VLLTVPLBAPBCFU-VXGBXAGGSA-N 1 0 230.352 0.586 10 0 BCAERO COC(=O)[C@H](C)NC(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000070502795 643031401 /nfs/dbraw/zinc/03/14/01/643031401.db2.gz IVJSWCJKLLDLQK-CIUDSAMLSA-N 1 0 228.292 0.182 10 0 BCAERO CCOc1cncc(N2CCC[C@@H]2C[NH3+])n1 ZINC000070580283 643043242 /nfs/dbraw/zinc/04/32/42/643043242.db2.gz YFVPOVCQIDLFDW-SECBINFHSA-N 1 0 222.292 0.803 10 0 BCAERO C[C@H]1COCCN1C(=O)[C@@]1(C)CCC[NH2+]1 ZINC000070618776 643047899 /nfs/dbraw/zinc/04/78/99/643047899.db2.gz GJYRFHFMRCDFHF-GXSJLCMTSA-N 1 0 212.293 0.376 10 0 BCAERO Cc1ccnn1C[C@](C)([NH2+]C(C)C)C(N)=O ZINC000070687162 643060750 /nfs/dbraw/zinc/06/07/50/643060750.db2.gz XPSQCEPFHMXABX-NSHDSACASA-N 1 0 224.308 0.434 10 0 BCAERO C[NH2+][C@@](C)(CCn1ncc(Cl)c1C)C(N)=O ZINC000070704504 643062838 /nfs/dbraw/zinc/06/28/38/643062838.db2.gz WRNWPWAWFYINNH-JTQLQIEISA-N 1 0 244.726 0.698 10 0 BCAERO C[C@H]([NH3+])[C@@H]1CN(C[C@H]2CCCO2)CCO1 ZINC000252681905 643091179 /nfs/dbraw/zinc/09/11/79/643091179.db2.gz BFNUYCAFNWLBHM-AXFHLTTASA-N 1 0 214.309 0.213 10 0 BCAERO CCCNS(=O)(=O)C[C@@H]1CCC[NH2+]1 ZINC000049631849 643117473 /nfs/dbraw/zinc/11/74/73/643117473.db2.gz MWWVTXRGPQGGDL-QMMMGPOBSA-N 1 0 206.311 0.068 10 0 BCAERO O[C@@H]1CCC[C@H](C[N@@H+]2CCC3(C2)OCCO3)C1 ZINC000306748454 643232133 /nfs/dbraw/zinc/23/21/33/643232133.db2.gz LBXGHXIQZMAJEB-NWDGAFQWSA-N 1 0 241.331 0.986 10 0 BCAERO CC1(C)NC(=O)CC[C@@H]1[NH2+]CC1OCCO1 ZINC000306854542 643265212 /nfs/dbraw/zinc/26/52/12/643265212.db2.gz ASNFCNPSOKGSGY-QMMMGPOBSA-N 1 0 228.292 0.006 10 0 BCAERO C[NH2+]CC(=O)N1CCC[C@@H]1c1cnn(C)c1 ZINC000082276255 643296015 /nfs/dbraw/zinc/29/60/15/643296015.db2.gz SDHYNXPNHUKDLE-SNVBAGLBSA-N 1 0 222.292 0.303 10 0 BCAERO COc1cc(C)nc(N2CC[C@@H]2C[NH3+])n1 ZINC000757152010 643343585 /nfs/dbraw/zinc/34/35/85/643343585.db2.gz RBTWNIHYIJSEMO-MRVPVSSYSA-N 1 0 208.265 0.331 10 0 BCAERO CC[C@H](C)[C@H]([NH3+])CS(=O)(=O)N(C)C ZINC000757154090 643346148 /nfs/dbraw/zinc/34/61/48/643346148.db2.gz VQROWBKSAKSXMJ-JGVFFNPUSA-N 1 0 208.327 0.251 10 0 BCAERO COC(=O)C[C@@H]([NH3+])Cc1nccs1 ZINC000757171249 643353785 /nfs/dbraw/zinc/35/37/85/643353785.db2.gz QUQUBPHGWBGHRS-LURJTMIESA-N 1 0 200.263 0.576 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@@]12CCS(=O)(=O)C2 ZINC000757196253 643366294 /nfs/dbraw/zinc/36/62/94/643366294.db2.gz UJWLKXHYUFXIKY-IUCAKERBSA-N 1 0 203.307 0.550 10 0 BCAERO Cc1nn(-c2cc(C)nc(C)n2)cc1C(N)=[NH2+] ZINC000757196467 643368152 /nfs/dbraw/zinc/36/81/52/643368152.db2.gz UXGZKEBWPVDQNA-UHFFFAOYSA-N 1 0 230.275 0.872 10 0 BCAERO Cc1ncn([C@H](C)C[C@@](C)([NH3+])C(N)=O)c1C ZINC000082800574 643381912 /nfs/dbraw/zinc/38/19/12/643381912.db2.gz FRQBHTCMMAKIJY-RDDDGLTNSA-N 1 0 224.308 0.654 10 0 BCAERO CC[NH2+][C@@](C)(C[C@H](C)n1cncn1)C(N)=O ZINC000082800473 643381920 /nfs/dbraw/zinc/38/19/20/643381920.db2.gz SSQSFRYYSMJDCY-WPRPVWTQSA-N 1 0 225.296 0.083 10 0 BCAERO C[NH2+][C@@](C)(C[C@@H](C)n1ccnc1C)C(N)=O ZINC000082800224 643382018 /nfs/dbraw/zinc/38/20/18/643382018.db2.gz YCTJIUDWRCLFBC-KCJUWKMLSA-N 1 0 224.308 0.606 10 0 BCAERO CCOC(=O)[C@@](C)([NH3+])C[C@@H](C)n1cncn1 ZINC000082800464 643382309 /nfs/dbraw/zinc/38/23/09/643382309.db2.gz GDTNPLIUQLUQGZ-SCZZXKLOSA-N 1 0 226.280 0.510 10 0 BCAERO CCc1nccn1[C@H](C)C[C@@](C)([NH3+])C(N)=O ZINC000082800566 643382815 /nfs/dbraw/zinc/38/28/15/643382815.db2.gz QLQCGWJPLUNQGY-LDYMZIIASA-N 1 0 224.308 0.599 10 0 BCAERO [NH3+]CCCC(=O)NC[C@H]1CCCC[C@@H]1O ZINC000082994721 643395009 /nfs/dbraw/zinc/39/50/09/643395009.db2.gz LMPISJMVKPWTFH-ZJUUUORDSA-N 1 0 214.309 0.393 10 0 BCAERO CS(=O)(=O)CC[NH2+]C[C@H]1CCCC[C@H]1O ZINC000082994818 643397713 /nfs/dbraw/zinc/39/77/13/643397713.db2.gz HBYFEIRLNOUDAZ-NXEZZACHSA-N 1 0 235.349 0.172 10 0 BCAERO CC[C@H]1OCC[C@@H]1C(=O)N1CCN(C)CC1 ZINC000234081303 643451363 /nfs/dbraw/zinc/45/13/63/643451363.db2.gz UKBYAZNVPLLRHL-WDEREUQCSA-N 1 0 226.320 0.576 10 0 BCAERO C[C@H]1C[C@H](C)n2nc(CCC[NH3+])nc2N1 ZINC000235722644 643472633 /nfs/dbraw/zinc/47/26/33/643472633.db2.gz FRJULXFQTXGVOQ-YUMQZZPRSA-N 1 0 209.297 0.935 10 0 BCAERO [NH3+][C@H]1CCCN(C(=O)Cc2ccc(O)cc2)C1 ZINC000041028169 643494145 /nfs/dbraw/zinc/49/41/45/643494145.db2.gz LBSJGMHGIKJHSM-NSHDSACASA-N 1 0 234.299 0.884 10 0 BCAERO CCCS(=O)(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000382488693 643505103 /nfs/dbraw/zinc/50/51/03/643505103.db2.gz HJZUSVWGVDYRIW-DTWKUNHWSA-N 1 0 220.338 0.443 10 0 BCAERO CN1CCO[C@H](C[NH2+]Cc2ccoc2)C1 ZINC000082432900 643510393 /nfs/dbraw/zinc/51/03/93/643510393.db2.gz GPZZDVPARDUECH-LLVKDONJSA-N 1 0 210.277 0.700 10 0 BCAERO C[C@H]([NH3+])CN(C)c1ncnc2nc[nH]c21 ZINC000082592675 643513982 /nfs/dbraw/zinc/51/39/82/643513982.db2.gz ZLEOEEPVIAIEST-LURJTMIESA-N 1 0 206.253 0.136 10 0 BCAERO Cn1cc(-c2noc([C@H]3CC[NH2+]C3)n2)cn1 ZINC000083571458 643588548 /nfs/dbraw/zinc/58/85/48/643588548.db2.gz MWSVCHJWFITOQV-ZETCQYMHSA-N 1 0 219.248 0.547 10 0 BCAERO [NH3+][C@@H]1CCC[C@H](C(=O)NCc2c[nH]cn2)C1 ZINC000084081093 643645457 /nfs/dbraw/zinc/64/54/57/643645457.db2.gz TXJVGWOACQCDME-DTWKUNHWSA-N 1 0 222.292 0.543 10 0 BCAERO COCCN(C)C(=O)[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000084302048 643655580 /nfs/dbraw/zinc/65/55/80/643655580.db2.gz DSBDYNDQAXJUQO-GHMZBOCLSA-N 1 0 228.336 0.856 10 0 BCAERO COCCN(C)C(=O)[C@H]1CCCC[C@H]1C[NH3+] ZINC000084302059 643655803 /nfs/dbraw/zinc/65/58/03/643655803.db2.gz DSBDYNDQAXJUQO-QWRGUYRKSA-N 1 0 228.336 0.856 10 0 BCAERO COCCNC(=O)[C@@H]1CCCC[C@H]1C[NH3+] ZINC000084301146 643658426 /nfs/dbraw/zinc/65/84/26/643658426.db2.gz DZXCVOOLYRSALC-VHSXEESVSA-N 1 0 214.309 0.514 10 0 BCAERO C[NH2+]CCc1noc(C[C@H](C)COC)n1 ZINC000087438082 643659151 /nfs/dbraw/zinc/65/91/51/643659151.db2.gz BOENFHVTDWPBPG-QMMMGPOBSA-N 1 0 213.281 0.657 10 0 BCAERO C[C@H]1COCCN1C(=O)C[C@@H]1CC[NH2+]C1 ZINC000084382025 643660385 /nfs/dbraw/zinc/66/03/85/643660385.db2.gz OICBRSDLQIBMHC-UWVGGRQHSA-N 1 0 212.293 0.233 10 0 BCAERO C[NH2+]CCc1noc(-c2cc(C)on2)n1 ZINC000085222596 643692345 /nfs/dbraw/zinc/69/23/45/643692345.db2.gz ZUZBOZMFAZHXBW-UHFFFAOYSA-N 1 0 208.221 0.795 10 0 BCAERO C[C@@H]([NH2+]C[C@@H](O)CO)c1cc(F)ccc1F ZINC000085246583 643697802 /nfs/dbraw/zinc/69/78/02/643697802.db2.gz AZNOFSIQKULTQY-VXNVDRBHSA-N 1 0 231.242 0.969 10 0 BCAERO [NH3+][C@@H]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[C@H](O)C1 ZINC000085359321 643749806 /nfs/dbraw/zinc/74/98/06/643749806.db2.gz LDVQPGSNXUGRJA-NOOOWODRSA-N 1 0 240.347 0.924 10 0 BCAERO C[C@@H]1[NH2+]CCC[C@H]1NS(=O)(=O)N1CCCC1 ZINC000085727470 643789399 /nfs/dbraw/zinc/78/93/99/643789399.db2.gz MSSXDFBMNWKMMG-VHSXEESVSA-N 1 0 247.364 0.057 10 0 BCAERO CCS(=O)(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000085727497 643789842 /nfs/dbraw/zinc/78/98/42/643789842.db2.gz CTOOGHJONWFSOY-YUMQZZPRSA-N 1 0 206.311 0.066 10 0 BCAERO C[C@H]1[NH2+]CCC[C@H]1NC(=O)N1CCCC1 ZINC000085960683 643865679 /nfs/dbraw/zinc/86/56/79/643865679.db2.gz MCOITZKYDQJKLB-NXEZZACHSA-N 1 0 211.309 0.932 10 0 BCAERO [NH3+]C[C@H]1CCC[C@H]1NC(=O)N1CCCC1 ZINC000085960482 643866654 /nfs/dbraw/zinc/86/66/54/643866654.db2.gz SLFQFKNAVPACJI-NXEZZACHSA-N 1 0 211.309 0.919 10 0 BCAERO O=C(C[C@@H]1CCC[NH2+]1)NC[C@@H]1CCCC[C@H]1O ZINC000085988745 643882345 /nfs/dbraw/zinc/88/23/45/643882345.db2.gz OEIUJWBVIARYRQ-SDDRHHMPSA-N 1 0 240.347 0.796 10 0 BCAERO CCCCNC(=O)[C@H](C)[NH2+]C(C)(C)CO ZINC000035188348 643913919 /nfs/dbraw/zinc/91/39/19/643913919.db2.gz REKPKSVUDJHDTR-VIFPVBQESA-N 1 0 216.325 0.652 10 0 BCAERO C[NH2+][C@]1(C(N)=O)CCC[C@@H](n2cccn2)C1 ZINC000086604667 644154833 /nfs/dbraw/zinc/15/48/33/644154833.db2.gz DKPXKOYIOJIKDJ-MWLCHTKSSA-N 1 0 222.292 0.442 10 0 BCAERO C[NH2+][C@@]1(C(N)=O)CCC[C@@H](n2ccnc2)C1 ZINC000086604640 644155693 /nfs/dbraw/zinc/15/56/93/644155693.db2.gz BASIGDAESFPANX-KOLCDFICSA-N 1 0 222.292 0.442 10 0 BCAERO C[NH2+][C@@]1(C(N)=O)CCC[C@@H](n2cccn2)C1 ZINC000086604668 644155762 /nfs/dbraw/zinc/15/57/62/644155762.db2.gz DKPXKOYIOJIKDJ-KOLCDFICSA-N 1 0 222.292 0.442 10 0 BCAERO CC[NH2+][C@]1(C(N)=O)CC[C@H](n2cccn2)C1 ZINC000086626724 644156149 /nfs/dbraw/zinc/15/61/49/644156149.db2.gz AVTOSWQUASJRKP-GXSJLCMTSA-N 1 0 222.292 0.442 10 0 BCAERO Cc1nn([C@@H]2CC[C@]([NH3+])(C(N)=O)C2)cc1Cl ZINC000086627242 644157881 /nfs/dbraw/zinc/15/78/81/644157881.db2.gz JADWNYBCHUEANG-GMSGAONNSA-N 1 0 242.710 0.753 10 0 BCAERO COC(=O)[C@]1([NH3+])CC[C@@H](n2ccc(C)n2)C1 ZINC000086627225 644158472 /nfs/dbraw/zinc/15/84/72/644158472.db2.gz AFLMJNVCORYJOB-KOLCDFICSA-N 1 0 223.276 0.787 10 0 BCAERO C[NH2+][C@]1(C(N)=O)CC[C@H](n2ccc(C)n2)C1 ZINC000086627201 644158991 /nfs/dbraw/zinc/15/89/91/644158991.db2.gz GPWVEVLRHRUHBT-GXSJLCMTSA-N 1 0 222.292 0.360 10 0 BCAERO Cc1nn([C@@H]2CC[C@@]([NH3+])(C(N)=O)C2)cc1Cl ZINC000086627247 644159363 /nfs/dbraw/zinc/15/93/63/644159363.db2.gz JADWNYBCHUEANG-XCBNKYQSSA-N 1 0 242.710 0.753 10 0 BCAERO CCCCCC[C@@H](O)C[NH2+]C[C@H](O)CO ZINC000199201937 644169636 /nfs/dbraw/zinc/16/96/36/644169636.db2.gz ZLMNJYZNZWVMEJ-MNOVXSKESA-N 1 0 219.325 0.261 10 0 BCAERO C[C@H]1[NH2+]CCC[C@H]1NS(=O)(=O)CCCF ZINC000193452323 644243318 /nfs/dbraw/zinc/24/33/18/644243318.db2.gz OTSXHKBVOYHGKR-RKDXNWHRSA-N 1 0 238.328 0.406 10 0 BCAERO CO[C@H](C)CC(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000193555176 644253543 /nfs/dbraw/zinc/25/35/43/644253543.db2.gz MELUBJXJFXPQEC-KXUCPTDWSA-N 1 0 214.309 0.668 10 0 BCAERO O=C(C[C@H]1CSCC[NH2+]1)N[C@H]1CCCOC1 ZINC000085614427 644443088 /nfs/dbraw/zinc/44/30/88/644443088.db2.gz PGWIMTUCSWKKOO-UWVGGRQHSA-N 1 0 244.360 0.377 10 0 BCAERO C[C@H](NC(=O)C[C@@H]1CSCC[NH2+]1)C1CC1 ZINC000085613166 644443658 /nfs/dbraw/zinc/44/36/58/644443658.db2.gz BTNJBRSFTZHWGF-WCBMZHEXSA-N 1 0 228.361 0.996 10 0 BCAERO C[NH2+]C[C@@H](C)C(=O)N[C@@H]1CCCOC1 ZINC000086069088 644456238 /nfs/dbraw/zinc/45/62/38/644456238.db2.gz BSNXMAUATKKLHB-RKDXNWHRSA-N 1 0 200.282 0.137 10 0 BCAERO C[NH2+]C[C@H](C)C(=O)NC[C@@H]1CCCC[C@@H]1O ZINC000086069928 644457850 /nfs/dbraw/zinc/45/78/50/644457850.db2.gz YZDJPZPKHUABHB-DCAQKATOSA-N 1 0 228.336 0.509 10 0 BCAERO COc1ccc(CN[C@@H]2CC[NH2+]C2)cn1 ZINC000086725566 644469407 /nfs/dbraw/zinc/46/94/07/644469407.db2.gz RQPZJNICYYMYOE-SNVBAGLBSA-N 1 0 207.277 0.542 10 0 BCAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C[C@H](O)C1CC1 ZINC000086933238 644473463 /nfs/dbraw/zinc/47/34/63/644473463.db2.gz DGKWKSDWQAVUFU-RTXFEEFZSA-N 1 0 224.348 0.926 10 0 BCAERO C[C@@H]1COCCN1C(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000087122315 644477891 /nfs/dbraw/zinc/47/78/91/644477891.db2.gz JBQGFYPWCNNBOW-GMTAPVOTSA-N 1 0 226.320 0.622 10 0 BCAERO CC(C)S(=O)(=O)N1CC[C@H]([NH3+])[C@@H](F)C1 ZINC000685946170 644517999 /nfs/dbraw/zinc/51/79/99/644517999.db2.gz LMCIAVMULBAXSR-YUMQZZPRSA-N 1 0 224.301 0.096 10 0 BCAERO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)Cc1cccnc1 ZINC000089090952 644533919 /nfs/dbraw/zinc/53/39/19/644533919.db2.gz MGUCXSAOUFYNQC-NEPJUHHUSA-N 1 0 233.315 0.868 10 0 BCAERO [NH3+]C1(C(=O)NC[C@H]2CCC[C@@H]2O)CCCCC1 ZINC000089169778 644537782 /nfs/dbraw/zinc/53/77/82/644537782.db2.gz KNBMKYFYPYCAPC-MNOVXSKESA-N 1 0 240.347 0.925 10 0 BCAERO CCOC(=O)CNC(=O)[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000089390333 644548660 /nfs/dbraw/zinc/54/86/60/644548660.db2.gz FOVCIPBJDCZNNE-NXEZZACHSA-N 1 0 242.319 0.431 10 0 BCAERO CC[C@H](C)c1noc(-c2cn(CC[NH3+])nn2)n1 ZINC000089696347 644561177 /nfs/dbraw/zinc/56/11/77/644561177.db2.gz CFVZVXTXGDMVSU-ZETCQYMHSA-N 1 0 236.279 0.800 10 0 BCAERO CCONC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000247011622 644617965 /nfs/dbraw/zinc/61/79/65/644617965.db2.gz HDNBVLRYEXXDNS-ZJUUUORDSA-N 1 0 229.324 0.966 10 0 BCAERO C[C@@H](NC(=O)[C@@H](C)[C@H](C)[NH3+])[C@@H]1CCCO1 ZINC000248487009 644681341 /nfs/dbraw/zinc/68/13/41/644681341.db2.gz LNXIMHWRBTZHPD-QEYWKRMJSA-N 1 0 214.309 0.653 10 0 BCAERO Cc1ccc(C(=O)NCCN[C@@H]2CC[NH2+]C2)cc1 ZINC000094087856 644708103 /nfs/dbraw/zinc/70/81/03/644708103.db2.gz ORIQXCINQUEYFH-CYBMUJFWSA-N 1 0 247.342 0.676 10 0 BCAERO CNc1cc(N2CC[N@@H+]3CCC[C@H]3C2)ncn1 ZINC000249851248 644743775 /nfs/dbraw/zinc/74/37/75/644743775.db2.gz LQKHUNWGAGPZOE-JTQLQIEISA-N 1 0 233.319 0.803 10 0 BCAERO CCCN(C[C@H](O)COC(C)C)[C@H]1CC[NH2+]C1 ZINC000249995889 644746167 /nfs/dbraw/zinc/74/61/67/644746167.db2.gz GJKYPHQEIMJSRJ-STQMWFEESA-N 1 0 244.379 0.846 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)[C@H](O)c1ccccc1 ZINC000250229482 644749929 /nfs/dbraw/zinc/74/99/29/644749929.db2.gz CSJFCOVPUHZIEJ-YNEHKIRRSA-N 1 0 248.326 0.964 10 0 BCAERO CCOC(=O)[C@H](C)NC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000250653795 644774572 /nfs/dbraw/zinc/77/45/72/644774572.db2.gz AGDFFRBWHBSWHS-LPEHRKFASA-N 1 0 242.319 0.429 10 0 BCAERO C[C@H]([NH3+])CCC(=O)N[C@@H](C)[C@H]1CCCO1 ZINC000251217103 644797606 /nfs/dbraw/zinc/79/76/06/644797606.db2.gz NOKLZSRSKYSFGO-LPEHRKFASA-N 1 0 214.309 0.798 10 0 BCAERO CC(C)C[C@H](C)[NH2+][C@@H]1CS(=O)(=O)C[C@H]1O ZINC000252440079 644851733 /nfs/dbraw/zinc/85/17/33/644851733.db2.gz WRSOIRAFQLUXBC-IVZWLZJFSA-N 1 0 235.349 0.169 10 0 BCAERO CCn1cc([C@@H]2CC[NH2+][C@H](CN)C2)cn1 ZINC000757242810 644865164 /nfs/dbraw/zinc/86/51/64/644865164.db2.gz YWXXZIQFXJINRD-KOLCDFICSA-N 1 0 208.309 0.697 10 0 BCAERO CCO[C@@H]1C[C@@H]([NH2+]CC2CC(O)C2)[C@H]1OC ZINC000252794863 644906308 /nfs/dbraw/zinc/90/63/08/644906308.db2.gz ZNHSDIGVZDSKFW-WLBBICOFSA-N 1 0 229.320 0.539 10 0 BCAERO CC(C)OC[C@H](O)CN(C)[C@H](C[NH3+])C1CC1 ZINC000253169662 644941555 /nfs/dbraw/zinc/94/15/55/644941555.db2.gz DJCHWINMGNDUGA-VXGBXAGGSA-N 1 0 230.352 0.441 10 0 BCAERO CC(C)CNC(=O)[C@H](C)[NH2+]C(C)(C)CO ZINC000035115070 645936694 /nfs/dbraw/zinc/93/66/94/645936694.db2.gz NBMPDKAWOBVNKF-VIFPVBQESA-N 1 0 216.325 0.508 10 0 BCAERO C[C@H](O)[C@H](O)C[N@@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000929980742 646384351 /nfs/dbraw/zinc/38/43/51/646384351.db2.gz LKCGSDOYRTZQIV-MVWJERBFSA-N 1 0 239.319 0.678 10 0 BCAERO [NH3+]C1CC(C(=O)N2CC[C@@H]3OCC[C@@H]3C2)C1 ZINC000724798967 711615431 /nfs/dbraw/zinc/61/54/31/711615431.db2.gz WOVKAHSDOZFTCF-SFXRXQKFSA-N 1 0 224.304 0.361 10 0 BCAERO Cc1ccnc(N(C)C2(C[NH3+])CCOCC2)n1 ZINC000725022896 711643654 /nfs/dbraw/zinc/64/36/54/711643654.db2.gz PLAXKZUVGQSMLW-UHFFFAOYSA-N 1 0 236.319 0.729 10 0 BCAERO CC[C@](C)(O)C[N@@H+]1CC[C@H](O)[C@H](F)C1 ZINC000725622367 711667043 /nfs/dbraw/zinc/66/70/43/711667043.db2.gz OIJLVOXKJYMUHA-UTLUCORTSA-N 1 0 205.273 0.552 10 0 BCAERO Cc1csc(=O)n1CC[NH2+]C(C)(C)CO ZINC000380193968 711680793 /nfs/dbraw/zinc/68/07/93/711680793.db2.gz QHANWQCAUJDZES-UHFFFAOYSA-N 1 0 230.333 0.579 10 0 BCAERO C[C@H]([NH2+]C1CCS(=O)(=O)CC1)C1CC1 ZINC000035732727 711702930 /nfs/dbraw/zinc/70/29/30/711702930.db2.gz LWUNVIFUPMRTOI-QMMMGPOBSA-N 1 0 217.334 0.952 10 0 BCAERO Cc1nsc(N2CCO[C@@H]([C@@H](C)[NH3+])C2)n1 ZINC000169221071 711832497 /nfs/dbraw/zinc/83/24/97/711832497.db2.gz TUXQYNURPCFBLE-HTRCEHHLSA-N 1 0 228.321 0.399 10 0 BCAERO Cc1cc(OCC(=O)N2C[C@H](C)[C@H]([NH3+])C2)no1 ZINC000701392085 712021942 /nfs/dbraw/zinc/02/19/42/712021942.db2.gz QCDOZMPBENNUPW-IONNQARKSA-N 1 0 239.275 0.167 10 0 BCAERO CCOC(=O)[C@H]1CCCN1C(=O)C1CC([NH3+])C1 ZINC000707268608 712167908 /nfs/dbraw/zinc/16/79/08/712167908.db2.gz LNTGLPXVUGJFAM-UDNWOFFPSA-N 1 0 240.303 0.278 10 0 BCAERO C([C@H]1CCCO1)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000708768932 712198840 /nfs/dbraw/zinc/19/88/40/712198840.db2.gz WRVQKGJNEUXURJ-QJPTWQEYSA-N 1 0 210.321 0.849 10 0 BCAERO C[C@H]1CN(C(=O)C(C)(C)F)C[C@@H]1C[NH3+] ZINC000708825583 712199908 /nfs/dbraw/zinc/19/99/08/712199908.db2.gz KKIYSWSQBJBSEM-YUMQZZPRSA-N 1 0 202.273 0.788 10 0 BCAERO C[C@H]1CN(C(=O)c2cnsn2)C[C@H]1C[NH3+] ZINC000708827868 712199979 /nfs/dbraw/zinc/19/99/79/712199979.db2.gz JEMFKZBIPIXKGY-NKWVEPMBSA-N 1 0 226.305 0.205 10 0 BCAERO CC(=O)[C@@H]1CCC[N@H+](C[C@@H]2COCCO2)C1 ZINC000708564091 712213241 /nfs/dbraw/zinc/21/32/41/712213241.db2.gz AVRUJSVKCIQTAY-VXGBXAGGSA-N 1 0 227.304 0.703 10 0 BCAERO C[C@@H]1OCC[C@@H]1NC(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000710945741 712267242 /nfs/dbraw/zinc/26/72/42/712267242.db2.gz WDWDVWODMKZFLM-NAKRPEOUSA-N 1 0 226.320 0.798 10 0 BCAERO COC1(OC)CC[C@@H]1[NH2+]CC1CC(O)C1 ZINC000710961669 712269191 /nfs/dbraw/zinc/26/91/91/712269191.db2.gz PTYZFCILHAOFCX-RTBKNWGFSA-N 1 0 215.293 0.498 10 0 BCAERO C[C@@H]1COC[C@H](C)N1C(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000711378326 712296417 /nfs/dbraw/zinc/29/64/17/712296417.db2.gz UYEYYSFBLLFCKT-AXFHLTTASA-N 1 0 240.347 0.868 10 0 BCAERO [NH3+]C[C@@H]1C[C@H](F)CN1C(=O)CC(F)(F)F ZINC000378787380 712361024 /nfs/dbraw/zinc/36/10/24/712361024.db2.gz LXQQULOEBGVMNR-WDSKDSINSA-N 1 0 228.189 0.837 10 0 BCAERO C[C@@H]1CCCCN1C(=O)[C@H]1CO[C@H](C[NH3+])C1 ZINC000713826345 712472760 /nfs/dbraw/zinc/47/27/60/712472760.db2.gz WSFVCCMAPQQXFG-MXWKQRLJSA-N 1 0 226.320 0.751 10 0 BCAERO [NH3+]C[C@H]1C[C@H](C(=O)NCCC(F)(F)F)CO1 ZINC000713902502 712472816 /nfs/dbraw/zinc/47/28/16/712472816.db2.gz PEXIJMAXIXCBPO-NKWVEPMBSA-N 1 0 240.225 0.419 10 0 BCAERO CC(C)CN(C)C(=O)[C@H]1CO[C@@H](C[NH3+])C1 ZINC000713874068 712473233 /nfs/dbraw/zinc/47/32/33/712473233.db2.gz RKPFBOUJMRFRPJ-NXEZZACHSA-N 1 0 214.309 0.465 10 0 BCAERO CC(C)N(C)C(=O)[C@@H]1CO[C@H](C[NH3+])C1 ZINC000713861862 712473379 /nfs/dbraw/zinc/47/33/79/712473379.db2.gz WRNOXIRRDLLVOJ-IUCAKERBSA-N 1 0 200.282 0.217 10 0 BCAERO COCC1CC(NC(=O)C[NH2+]C2CC2)C1 ZINC000713930622 712473894 /nfs/dbraw/zinc/47/38/94/712473894.db2.gz LYKNROBGKREMTR-UHFFFAOYSA-N 1 0 212.293 0.280 10 0 BCAERO COCC1CC(NC(=O)CC[C@H]2CC[NH2+]C2)C1 ZINC000713946202 712474245 /nfs/dbraw/zinc/47/42/45/712474245.db2.gz QBBOBIZFIWLITK-UNXYVOJBSA-N 1 0 240.347 0.917 10 0 BCAERO CC[NH2+][C@H](C)C(=O)NC1CC(COC)C1 ZINC000713996351 712476924 /nfs/dbraw/zinc/47/69/24/712476924.db2.gz SHUOFPKZPBMRET-XNWIYYODSA-N 1 0 214.309 0.526 10 0 BCAERO CC[C@H]1[NH2+]CC[C@@H]1C(=O)NC1CC(COC)C1 ZINC000713996768 712476979 /nfs/dbraw/zinc/47/69/79/712476979.db2.gz YLUGNCDFAXYUQR-MMVSWEMESA-N 1 0 240.347 0.916 10 0 BCAERO O=S(=O)(CCCC1CC1)NC[C@H]1CC[NH2+]C1 ZINC000715056841 712505310 /nfs/dbraw/zinc/50/53/10/712505310.db2.gz SOCNJWXSCDQUSU-NSHDSACASA-N 1 0 246.376 0.706 10 0 BCAERO [NH3+]C[C@@H]1[C@H](C(=O)NCC[C@H]2CCCO2)C1(F)F ZINC000715073255 712506094 /nfs/dbraw/zinc/50/60/94/712506094.db2.gz ICFWGHMBCMGNRG-IWSPIJDZSA-N 1 0 248.273 0.512 10 0 BCAERO C[C@H]([NH2+][C@@H]1CO[C@@H](C)[C@H]1C)c1cn(C)nn1 ZINC000715836058 712534957 /nfs/dbraw/zinc/53/49/57/712534957.db2.gz ISOUMWDMBNBULT-UYAYMFIHSA-N 1 0 224.308 0.889 10 0 BCAERO C[C@H]([NH2+][C@H]1CCC[C@@H](O)C1)c1cn(C)nn1 ZINC000715907505 712541616 /nfs/dbraw/zinc/54/16/16/712541616.db2.gz HEVJEKYSSUGZGJ-LPEHRKFASA-N 1 0 224.308 0.769 10 0 BCAERO O=C(NCCCCC1CC1)[C@@H]1C[NH2+]CCOC1 ZINC000716415476 712559831 /nfs/dbraw/zinc/55/98/31/712559831.db2.gz DHWCUMAJJLMBAO-GFCCVEGCSA-N 1 0 240.347 0.919 10 0 BCAERO C[C@H](NC1CC(C(N)=O)C1)[C@@H]1CCCC[NH2+]1 ZINC000716686449 712570043 /nfs/dbraw/zinc/57/00/43/712570043.db2.gz YLSQZOOGABVXDW-PMUOWJKOSA-N 1 0 225.336 0.371 10 0 BCAERO Cn1ncc(C[NH2+]C2CC(C(N)=O)C2)c1Cl ZINC000716688764 712570296 /nfs/dbraw/zinc/57/02/96/712570296.db2.gz ZYJGSFZRWZHYAP-UHFFFAOYSA-N 1 0 242.710 0.427 10 0 BCAERO Cn1cc(CCC[NH2+]C2CC(C(N)=O)C2)cn1 ZINC000716747169 712571922 /nfs/dbraw/zinc/57/19/22/712571922.db2.gz WGHWVDXPWPCVML-UHFFFAOYSA-N 1 0 236.319 0.206 10 0 BCAERO COC[C@@H]([NH2+]C1CC(C(N)=O)C1)C(C)C ZINC000716744788 712571945 /nfs/dbraw/zinc/57/19/45/712571945.db2.gz HVQGAYMIPKNPEZ-UDNWOFFPSA-N 1 0 214.309 0.511 10 0 BCAERO NC(=O)C1CC([NH2+]C[C@H](O)CC2CCCC2)C1 ZINC000716760309 712572382 /nfs/dbraw/zinc/57/23/82/712572382.db2.gz MSOMTJYMGNOHQB-HTAVTVPLSA-N 1 0 240.347 0.781 10 0 BCAERO CC(C)(O)C[NH2+][C@H]1CC(=O)N(CC2CC2)C1 ZINC000716759811 712572573 /nfs/dbraw/zinc/57/25/73/712572573.db2.gz WRGNRQFJCKTPHT-JTQLQIEISA-N 1 0 226.320 0.358 10 0 BCAERO COC1CCC([NH2+]C2CC(C(N)=O)C2)CC1 ZINC000716769922 712572875 /nfs/dbraw/zinc/57/28/75/712572875.db2.gz LQGFGYBWIDDJDI-UHFFFAOYSA-N 1 0 226.320 0.798 10 0 BCAERO CC[C@H]([NH2+]C1CC(C(N)=O)C1)[C@H]1CCOC1 ZINC000716768441 712572997 /nfs/dbraw/zinc/57/29/97/712572997.db2.gz BIPJZYQBYRDDAK-PMUOWJKOSA-N 1 0 226.320 0.655 10 0 BCAERO NC(=O)C1CC([NH2+]CC[C@H]2CCOC2)C1 ZINC000716745130 712572007 /nfs/dbraw/zinc/57/20/07/712572007.db2.gz JNONXGPPPOATJO-IDKOKCKLSA-N 1 0 212.293 0.267 10 0 BCAERO C[C@@H]1COCC[C@@H]1[NH2+]C1CC(C(N)=O)C1 ZINC000716742438 712572199 /nfs/dbraw/zinc/57/21/99/712572199.db2.gz YGDSTRHTQUVKFM-WOOKNIGNSA-N 1 0 212.293 0.265 10 0 BCAERO C[C@@H]([NH3+])CC(=O)N[C@@H]1CCC[C@H](O)C1 ZINC000037476471 712647735 /nfs/dbraw/zinc/64/77/35/712647735.db2.gz AFXBLAFLZXUNFW-HLTSFMKQSA-N 1 0 200.282 0.143 10 0 BCAERO C[C@@H]1CO[C@H](C(=O)N2CCC[C@@H]2C[NH3+])C1 ZINC000718445524 712761912 /nfs/dbraw/zinc/76/19/12/712761912.db2.gz HRRVQILWXLPCKL-AEJSXWLSSA-N 1 0 212.293 0.361 10 0 BCAERO CC(F)(F)CCC[N@@H+]1C[C@H](O)C[C@H]1CO ZINC000718705723 712778005 /nfs/dbraw/zinc/77/80/05/712778005.db2.gz CUAYNSYYJKSSGC-DTWKUNHWSA-N 1 0 223.263 0.849 10 0 BCAERO CO[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCNC2=O)CC1 ZINC000718768012 712781798 /nfs/dbraw/zinc/78/17/98/712781798.db2.gz YIQZMMIGQRXRKC-GMTAPVOTSA-N 1 0 226.320 0.812 10 0 BCAERO CC(C)(O)[C@H]1CCC[N@H+](C[C@H]2CNC(=O)O2)C1 ZINC000719642271 712819378 /nfs/dbraw/zinc/81/93/78/712819378.db2.gz MYTXTMZFRHJPFB-VHSXEESVSA-N 1 0 242.319 0.578 10 0 BCAERO C[NH2+]CCN(C[C@@H](O)COC(C)C)C(C)C ZINC000720762113 712864393 /nfs/dbraw/zinc/86/43/93/712864393.db2.gz YSZZHVMHPWWZIW-GFCCVEGCSA-N 1 0 232.368 0.702 10 0 BCAERO C[NH2+]C1(C(=O)N2C[C@H](C)O[C@@H](C)C2)CCC1 ZINC000381097177 710601904 /nfs/dbraw/zinc/60/19/04/710601904.db2.gz WYZZXDZSJIPJLT-UWVGGRQHSA-N 1 0 226.320 0.764 10 0 BCAERO CO[C@H]1C[C@@H](C[NH2+][C@H]2CCC(=O)N[C@@H]2C)C1 ZINC000721898926 710688767 /nfs/dbraw/zinc/68/87/67/710688767.db2.gz PQMRKVVKZVOFKL-ZNSHCXBVSA-N 1 0 226.320 0.668 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1CNc1ccc2nncn2n1 ZINC000723786686 710731790 /nfs/dbraw/zinc/73/17/90/710731790.db2.gz SBRWODBVNXNMRB-BDAKNGLRSA-N 1 0 232.291 0.392 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1CNc1nccn(C)c1=O ZINC000723820439 710732534 /nfs/dbraw/zinc/73/25/34/710732534.db2.gz FJSLAJAPJZAWEK-BDAKNGLRSA-N 1 0 222.292 0.048 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1CNc1ncc(F)cn1 ZINC000723811263 710733507 /nfs/dbraw/zinc/73/35/07/710733507.db2.gz RXRZANIGAHUVEG-SFYZADRCSA-N 1 0 210.256 0.883 10 0 BCAERO CO[C@@H]1CCOC[C@H]1[NH2+]C[C@H](O)C(C)(C)C ZINC000724891624 710748039 /nfs/dbraw/zinc/74/80/39/710748039.db2.gz OLEYXIRJGLWATI-MXWKQRLJSA-N 1 0 231.336 0.787 10 0 BCAERO COc1c(CN(C)C[C@@H](C)[NH3+])c(C)nn1C ZINC000380779951 712903005 /nfs/dbraw/zinc/90/30/05/712903005.db2.gz BQTKZYSTRVPCMW-MRVPVSSYSA-N 1 0 226.324 0.516 10 0 BCAERO CC[C@H](C)[C@@H](C[NH2+]CCn1cncn1)OC ZINC000381269991 710615080 /nfs/dbraw/zinc/61/50/80/710615080.db2.gz HMIMJNQCKDXOCC-WDEREUQCSA-N 1 0 226.324 0.929 10 0 BCAERO CO[C@H]1C[C@@H](CN2CCO[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000721956455 710693721 /nfs/dbraw/zinc/69/37/21/710693721.db2.gz PQHUSDOPJISLBK-WHOHXGKFSA-N 1 0 226.320 0.084 10 0 BCAERO CO[C@H]1C[C@@H](C[N@@H+]2CCO[C@@H](CO)C2)C1 ZINC000722016080 710697682 /nfs/dbraw/zinc/69/76/82/710697682.db2.gz WITKNCBMAOWCON-OUAUKWLOSA-N 1 0 215.293 0.105 10 0 BCAERO CC[C@@H]1COC[C@H]1[NH2+]C[C@H]1CC(=O)N(C)C1 ZINC000722714082 711466649 /nfs/dbraw/zinc/46/66/49/711466649.db2.gz VZIZLYPDLROECI-GMTAPVOTSA-N 1 0 226.320 0.479 10 0 BCAERO O=S1(=O)CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2O)C1 ZINC000037490611 711466838 /nfs/dbraw/zinc/46/68/38/711466838.db2.gz PASRDTNNGPUJPV-OPRDCNLKSA-N 1 0 233.333 0.067 10 0 BCAERO CN1C[C@H](C[NH2+][C@H]2COCC2(C)C)CC1=O ZINC000722754828 711470184 /nfs/dbraw/zinc/47/01/84/711470184.db2.gz WGZVARFHKPEUOE-UWVGGRQHSA-N 1 0 226.320 0.479 10 0 BCAERO CN1C[C@@H](C[NH2+]C2CCC(C)(O)CC2)CC1=O ZINC000722748614 711470237 /nfs/dbraw/zinc/47/02/37/711470237.db2.gz HPVAWUKIEOGLOG-XSRFYTQQSA-N 1 0 240.347 0.748 10 0 BCAERO CN1C[C@@H](C[NH2+]C[C@H]2CCC=CO2)CC1=O ZINC000722750590 711470240 /nfs/dbraw/zinc/47/02/40/711470240.db2.gz UUZDWVDXYMBEJP-GHMZBOCLSA-N 1 0 224.304 0.747 10 0 BCAERO C[C@@H]([NH2+]C[C@@H](O)C(F)(F)F)[C@H](C)O ZINC000235567957 711477080 /nfs/dbraw/zinc/47/70/80/711477080.db2.gz KFTZRWXOZKRNDR-NGJCXOISSA-N 1 0 201.188 0.269 10 0 BCAERO COC(=O)[C@@H]1C[N@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000251735772 711484033 /nfs/dbraw/zinc/48/40/33/711484033.db2.gz KOGXOSQBEGQDBP-HBNTYKKESA-N 1 0 227.304 0.906 10 0 BCAERO C[C@H](NC(=O)[C@H]1[C@@H]2CC[NH2+]C[C@@H]21)[C@H]1CCCO1 ZINC000721023570 711487362 /nfs/dbraw/zinc/48/73/62/711487362.db2.gz CEWJZJWFQZIYPK-MJDLHHQISA-N 1 0 238.331 0.526 10 0 BCAERO NC(=O)c1cc(N2C3CCC2(C[NH3+])CC3)ccn1 ZINC000722986021 711493598 /nfs/dbraw/zinc/49/35/98/711493598.db2.gz JJFONIJTVVWLLD-UHFFFAOYSA-N 1 0 246.314 0.641 10 0 BCAERO [NH3+]CC12CCC(CC1)N2c1ccc2nncn2n1 ZINC000723014384 711495012 /nfs/dbraw/zinc/49/50/12/711495012.db2.gz ZQZAZNXKLYSGKM-UHFFFAOYSA-N 1 0 244.302 0.584 10 0 BCAERO C([C@@H]1CCCO1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000257733579 711514436 /nfs/dbraw/zinc/51/44/36/711514436.db2.gz XOAVPFNYHILTJY-NWDGAFQWSA-N 1 0 210.321 0.993 10 0 BCAERO CO[C@@H](C[NH3+])C(=O)N[C@@H](C)C1CCCC1 ZINC000227385174 711534680 /nfs/dbraw/zinc/53/46/80/711534680.db2.gz MOGUDTDDXYWZBO-WPRPVWTQSA-N 1 0 214.309 0.655 10 0 BCAERO Cc1cn(C)nc1C[NH2+][C@@H]1CCC(=O)N[C@H]1C ZINC000723936599 711545818 /nfs/dbraw/zinc/54/58/18/711545818.db2.gz XSFCAKUXFVDQPB-VHSXEESVSA-N 1 0 236.319 0.485 10 0 BCAERO C[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CS(=O)(=O)C[C@H]1O ZINC000700600730 711590801 /nfs/dbraw/zinc/59/08/01/711590801.db2.gz XMKDWHLIEMVMCH-GWOFURMSSA-N 1 0 247.360 0.313 10 0 BCAERO CC(C)(C)[C@@H](O)C[NH2+]C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000724622556 711600448 /nfs/dbraw/zinc/60/04/48/711600448.db2.gz LLTAEGSPJTXMHA-RHYQMDGZSA-N 1 0 243.347 0.787 10 0 BCAERO CC(C)(C)[C@@H](O)C[NH2+]C[C@H]1C[C@@H]2COC[C@@H]2O1 ZINC000724622560 711600773 /nfs/dbraw/zinc/60/07/73/711600773.db2.gz LLTAEGSPJTXMHA-WYUUTHIRSA-N 1 0 243.347 0.787 10 0 BCAERO Cc1nc(C)c(C[NH2+][C@@H]2CCC(=O)N[C@H]2C)[nH]1 ZINC000724779361 711613259 /nfs/dbraw/zinc/61/32/59/711613259.db2.gz FLWHCTFTWQPPHP-OIBJUYFYSA-N 1 0 236.319 0.783 10 0 BCAERO CCS(=O)(=O)CC[N@@H+]1CCC[C@@H]1CCCO ZINC000052762475 711636938 /nfs/dbraw/zinc/63/69/38/711636938.db2.gz BDSJDRSYPZEVBW-LLVKDONJSA-N 1 0 249.376 0.658 10 0 BCAERO C[C@@H]1C[C@@H](O)C[N@H+](CCO[C@H]2CCOC2)C1 ZINC000724995522 711641667 /nfs/dbraw/zinc/64/16/67/711641667.db2.gz UQYZJSPOHKEMBA-UTUOFQBUSA-N 1 0 229.320 0.495 10 0 BCAERO Cc1nsc(N(C)C2(C[NH3+])CCOCC2)n1 ZINC000725021747 711643710 /nfs/dbraw/zinc/64/37/10/711643710.db2.gz KXEXQNRPJUQPFM-UHFFFAOYSA-N 1 0 242.348 0.791 10 0 BCAERO Cc1nsc(N2CCCO[C@@H](C[NH3+])C2)n1 ZINC000313349334 711718747 /nfs/dbraw/zinc/71/87/47/711718747.db2.gz JENDGZOCOFPCEP-QMMMGPOBSA-N 1 0 228.321 0.401 10 0 BCAERO [NH3+]C[C@H]1CCCN1C(=O)Cc1cccc(O)c1 ZINC000104312695 711721136 /nfs/dbraw/zinc/72/11/36/711721136.db2.gz OKSQXAAIDWNUQX-LLVKDONJSA-N 1 0 234.299 0.884 10 0 BCAERO C([C@H]1CCCO1)N1CCC[C@]12CC[NH2+]C2 ZINC000257680830 711726382 /nfs/dbraw/zinc/72/63/82/711726382.db2.gz KYTRJBOCNVUZID-VXGBXAGGSA-N 1 0 210.321 0.993 10 0 BCAERO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)c3ccc[nH]c3=O)C[C@@H]12 ZINC000186933838 711738935 /nfs/dbraw/zinc/73/89/35/711738935.db2.gz OEKJTKICRNWOAR-FBIMIBRVSA-N 1 0 247.298 0.597 10 0 BCAERO CCCn1cc(NC(=O)[C@H]([NH3+])COC)cn1 ZINC000722371821 711750657 /nfs/dbraw/zinc/75/06/57/711750657.db2.gz CKQPGEAJCONVHV-SECBINFHSA-N 1 0 226.280 0.205 10 0 BCAERO CC(C)(O)[C@H]1CC[N@H+](C[C@@H]2CNC(=O)O2)C1 ZINC000721797528 711770229 /nfs/dbraw/zinc/77/02/29/711770229.db2.gz FQTFXMLOPPYXHT-IUCAKERBSA-N 1 0 228.292 0.188 10 0 BCAERO CC(C)(F)C(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000307156798 711773604 /nfs/dbraw/zinc/77/36/04/711773604.db2.gz ONLIKUIGWPDBKM-HTQZYQBOSA-N 1 0 202.273 0.978 10 0 BCAERO CCn1ccnc(N[C@H]2C[NH2+]CC2(C)C)c1=O ZINC000721865346 711792211 /nfs/dbraw/zinc/79/22/11/711792211.db2.gz JRGIPQBIFQJVNA-VIFPVBQESA-N 1 0 236.319 0.673 10 0 BCAERO COCC[C@H](C)NC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000227797788 711832939 /nfs/dbraw/zinc/83/29/39/711832939.db2.gz RTHIYDMIZBJSOM-LPEHRKFASA-N 1 0 214.309 0.655 10 0 BCAERO O[C@@H]1COCC[C@@H]1[NH2+]CCc1ccccc1 ZINC000706766965 711925220 /nfs/dbraw/zinc/92/52/20/711925220.db2.gz YVOMRQOBTKXGBP-QWHCGFSZSA-N 1 0 221.300 0.969 10 0 BCAERO C[C@@H]1CCC[N@H+](C[C@H]2CNC(=O)O2)[C@@H]1CCO ZINC000700389477 711991494 /nfs/dbraw/zinc/99/14/94/711991494.db2.gz WZXCKNPMCHKVFC-GMTAPVOTSA-N 1 0 242.319 0.578 10 0 BCAERO CC1(C)C(NC(=O)[C@H]2C[NH2+]CCOC2)C1(C)C ZINC000700487778 711994403 /nfs/dbraw/zinc/99/44/03/711994403.db2.gz APFQJLDBOUPQMV-VIFPVBQESA-N 1 0 240.347 0.773 10 0 BCAERO C[C@H]1CN(C(=O)[C@H]2C[NH2+]CCOC2)C(C)(C)C1 ZINC000700474449 711994808 /nfs/dbraw/zinc/99/48/08/711994808.db2.gz HRGXRHVGUBAJGY-MNOVXSKESA-N 1 0 240.347 0.869 10 0 BCAERO CC(C)C[C@@H](C)[NH2+][C@@H]1CS(=O)(=O)C[C@H]1O ZINC000700525729 711996743 /nfs/dbraw/zinc/99/67/43/711996743.db2.gz WRSOIRAFQLUXBC-OPRDCNLKSA-N 1 0 235.349 0.169 10 0 BCAERO O=C(Nc1ccc(F)nc1)[C@@H]1C[NH2+]CCOC1 ZINC000700527735 711996855 /nfs/dbraw/zinc/99/68/55/711996855.db2.gz LHYJUTLCTUYFJN-MRVPVSSYSA-N 1 0 239.250 0.395 10 0 BCAERO [NH3+]C1CC(C(=O)N2CCO[C@H](CCF)C2)C1 ZINC000700579669 711997873 /nfs/dbraw/zinc/99/78/73/711997873.db2.gz VIMQLCUNTGTOSZ-UDNWOFFPSA-N 1 0 230.283 0.311 10 0 BCAERO C[C@@H](C[NH3+])N(C)C(=O)[C@H]1Cc2ccccc2CO1 ZINC000700641527 712000944 /nfs/dbraw/zinc/00/09/44/712000944.db2.gz JGMWJKKFPYJREL-GXFFZTMASA-N 1 0 248.326 0.934 10 0 BCAERO C[NH2+]CCCNC(=O)[C@@H]1Cc2ccccc2CO1 ZINC000700656294 712001775 /nfs/dbraw/zinc/00/17/75/712001775.db2.gz RLSORKAGKLTHBT-ZDUSSCGKSA-N 1 0 248.326 0.854 10 0 BCAERO C[NH2+]CCCNC(=O)[C@H]1Cc2ccccc2CO1 ZINC000700656293 712001947 /nfs/dbraw/zinc/00/19/47/712001947.db2.gz RLSORKAGKLTHBT-CYBMUJFWSA-N 1 0 248.326 0.854 10 0 BCAERO C[C@H]([NH3+])CCNC(=O)[C@@H]1Cc2ccccc2CO1 ZINC000700649916 712002128 /nfs/dbraw/zinc/00/21/28/712002128.db2.gz CXTGZIPABNUOJX-GWCFXTLKSA-N 1 0 248.326 0.981 10 0 BCAERO C[NH2+][C@@H](C)CNC(=O)[C@H]1Cc2ccccc2CO1 ZINC000700658091 712002078 /nfs/dbraw/zinc/00/20/78/712002078.db2.gz WSBUOWKCTMNPHE-GXFFZTMASA-N 1 0 248.326 0.852 10 0 BCAERO CN(CCC[NH3+])C(=O)[C@H]1Cc2ccccc2CO1 ZINC000700649321 712002084 /nfs/dbraw/zinc/00/20/84/712002084.db2.gz AIVPCZUATCJGIU-CYBMUJFWSA-N 1 0 248.326 0.935 10 0 BCAERO C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1NC(=O)C1CC([NH3+])C1 ZINC000701105667 712015703 /nfs/dbraw/zinc/01/57/03/712015703.db2.gz QKMNHLDVPSWNIH-OTJKHYEOSA-N 1 0 226.320 0.652 10 0 BCAERO C[NH2+][C@H](C)CNC(=O)COc1cc(C)on1 ZINC000701387369 712021985 /nfs/dbraw/zinc/02/19/85/712021985.db2.gz RMTTZDWMEPHPLW-SSDOTTSWSA-N 1 0 227.264 0.086 10 0 BCAERO Cc1cc(OCC(=O)NCC[C@H](C)[NH3+])no1 ZINC000701386647 712022270 /nfs/dbraw/zinc/02/22/70/712022270.db2.gz LUPZXTQVDVGYNZ-ZETCQYMHSA-N 1 0 227.264 0.215 10 0 BCAERO C[NH+](C)C[C@H](N)c1nc([C@H]2CC23CC3)no1 ZINC000702200661 712040284 /nfs/dbraw/zinc/04/02/84/712040284.db2.gz OKYVYUILGIEIEC-SFYZADRCSA-N 1 0 222.292 0.899 10 0 BCAERO C[NH+](C)C[C@H](N)C(=O)N[C@H]1COc2ccccc21 ZINC000702343602 712045712 /nfs/dbraw/zinc/04/57/12/712045712.db2.gz ZGHDASDTDWWBHB-QWRGUYRKSA-N 1 0 249.314 0.125 10 0 BCAERO C[C@H](NCc1ncccn1)[C@H]1CCC[NH2+]C1 ZINC000702324669 712047013 /nfs/dbraw/zinc/04/70/13/712047013.db2.gz RINVDXFLFSBVTC-QWRGUYRKSA-N 1 0 220.320 0.954 10 0 BCAERO CC(C)C[C@@H]([NH3+])C(=O)NCc1ncccn1 ZINC000702331320 712047834 /nfs/dbraw/zinc/04/78/34/712047834.db2.gz UAKWWBQGDYOSNA-SECBINFHSA-N 1 0 222.292 0.466 10 0 BCAERO O=C(/C=C/c1ccccc1)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000702848003 712061340 /nfs/dbraw/zinc/06/13/40/712061340.db2.gz VSFSVFQELGPUTQ-VFZNBBLXSA-N 1 0 246.310 0.396 10 0 BCAERO COC(=O)/C(C)=C\C[N@@H+]1CC[C@@H](O)C[C@H]1C ZINC000705115892 712122682 /nfs/dbraw/zinc/12/26/82/712122682.db2.gz HFUUWIJRKCOAAX-MTUFZTHRSA-N 1 0 227.304 0.951 10 0 BCAERO CC1(O)CCC([NH2+][C@@H]2CCOC[C@@H]2O)CC1 ZINC000706707437 712152664 /nfs/dbraw/zinc/15/26/64/712152664.db2.gz WNCDRBBBBGJRHZ-UPOSSJBDSA-N 1 0 229.320 0.419 10 0 BCAERO Cc1nc(C)c(C[NH2+][C@@H]2CCOC[C@@H]2O)s1 ZINC000706766058 712154850 /nfs/dbraw/zinc/15/48/50/712154850.db2.gz DMJPMLSTMZJNKN-ZJUUUORDSA-N 1 0 242.344 0.999 10 0 BCAERO Oc1ccc(C[NH2+][C@H]2CCOC[C@@H]2O)cc1F ZINC000706772969 712155260 /nfs/dbraw/zinc/15/52/60/712155260.db2.gz SVMPJNZENCMSBY-JQWIXIFHSA-N 1 0 241.262 0.771 10 0 BCAERO Cc1ncc(C[NH2+][C@H]2CCOC[C@@H]2O)s1 ZINC000706790834 712155533 /nfs/dbraw/zinc/15/55/33/712155533.db2.gz JEVWBBBNWCFDJE-UWVGGRQHSA-N 1 0 228.317 0.691 10 0 BCAERO CSC1CC([NH2+]C[C@H]2CN(C)CCO2)C1 ZINC000706903249 712160387 /nfs/dbraw/zinc/16/03/87/712160387.db2.gz VXUVEUCVRSGKSQ-YVNMAJEFSA-N 1 0 230.377 0.801 10 0 BCAERO CCN(CC(=O)OC)C(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000707332719 712167469 /nfs/dbraw/zinc/16/74/69/712167469.db2.gz VZKBEJUXUQHMQZ-VHSXEESVSA-N 1 0 242.319 0.383 10 0 BCAERO COC(=O)[C@H]1CCCCN1C(=O)C1CC([NH3+])C1 ZINC000707296376 712169150 /nfs/dbraw/zinc/16/91/50/712169150.db2.gz QEQSPYPCUOLTIK-UDNWOFFPSA-N 1 0 240.303 0.278 10 0 BCAERO Cc1cc(=O)[nH]c(C[N@@H+](C)[C@@H]2CCC[C@H]2O)n1 ZINC000708633102 712195427 /nfs/dbraw/zinc/19/54/27/712195427.db2.gz JGENLEUPWVALJN-NXEZZACHSA-N 1 0 237.303 0.836 10 0 BCAERO CCn1cncc1C[N@@H+]1C[C@@H](C)[C@H](CO)C1 ZINC000708643550 712196299 /nfs/dbraw/zinc/19/62/99/712196299.db2.gz XRMMWSZORWXIIT-MNOVXSKESA-N 1 0 223.320 0.963 10 0 BCAERO CC(C)N(C)S(=O)(=O)N1C[C@H](C)[C@H](C[NH3+])C1 ZINC000708830106 712199922 /nfs/dbraw/zinc/19/99/22/712199922.db2.gz LSLOWPPDDGLWJF-VHSXEESVSA-N 1 0 249.380 0.098 10 0 BCAERO C[C@H]1CN(C(=O)C(F)(F)C(F)F)C[C@H]1C[NH3+] ZINC000708841492 712200706 /nfs/dbraw/zinc/20/07/06/712200706.db2.gz CBIWIHYNKJSREO-NTSWFWBYSA-N 1 0 242.216 0.940 10 0 BCAERO C[C@H]1CN(c2ccnc(C(N)=O)c2)C[C@H]1C[NH3+] ZINC000708839645 712200814 /nfs/dbraw/zinc/20/08/14/712200814.db2.gz QAZZLSQPRJCHQF-DTWKUNHWSA-N 1 0 234.303 0.212 10 0 BCAERO C[C@@H]1CN(C(=O)[C@@H](O)c2ccccc2)C[C@H]1C[NH3+] ZINC000708865163 712201150 /nfs/dbraw/zinc/20/11/50/712201150.db2.gz GRNJVFARBLNJAG-RTXFEEFZSA-N 1 0 248.326 0.773 10 0 BCAERO CO[C@H]1CN(Cc2ccn(C)n2)[C@](C)(C[NH3+])C1 ZINC000708943832 712203178 /nfs/dbraw/zinc/20/31/78/712203178.db2.gz VIEJUSPECFMCAY-NEPJUHHUSA-N 1 0 238.335 0.358 10 0 BCAERO CO[C@H]1CN(Cc2ccn(C)n2)[C@@](C)(C[NH3+])C1 ZINC000708943837 712203449 /nfs/dbraw/zinc/20/34/49/712203449.db2.gz VIEJUSPECFMCAY-VXGBXAGGSA-N 1 0 238.335 0.358 10 0 BCAERO COC(=O)N1C[C@H](OC)C[C@@]1(C)C[NH3+] ZINC000708999638 712205380 /nfs/dbraw/zinc/20/53/80/712205380.db2.gz RPJXLBLOUUYRNO-APPZFPTMSA-N 1 0 202.254 0.191 10 0 BCAERO NC(=O)c1cc(N2CCCCC[C@H]([NH3+])C2)ccn1 ZINC000709039180 712206050 /nfs/dbraw/zinc/20/60/50/712206050.db2.gz WKVWBKMJVCUVQC-JTQLQIEISA-N 1 0 248.330 0.888 10 0 BCAERO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(c1ncc(F)cn1)C2 ZINC000709798150 712227435 /nfs/dbraw/zinc/22/74/35/712227435.db2.gz FDKOFAYRXBPDFQ-HGNGGELXSA-N 1 0 222.267 0.932 10 0 BCAERO O[C@@H]1C[C@H]2C[C@@H](C1)N(C[C@H]1CCC[NH2+]1)C2 ZINC000709844063 712229373 /nfs/dbraw/zinc/22/93/73/712229373.db2.gz DAFHTBWVMVXELF-WISYIIOYSA-N 1 0 210.321 0.584 10 0 BCAERO C[C@@H]([NH2+]C[C@@H]1CN(C)CCO1)c1cn(C)cn1 ZINC000709894868 712231228 /nfs/dbraw/zinc/23/12/28/712231228.db2.gz BDTNGPNHFBKULG-GHMZBOCLSA-N 1 0 238.335 0.401 10 0 BCAERO C[C@H]([NH2+][C@H]1CCC(=O)N[C@H]1C)c1cn(C)cn1 ZINC000709947376 712234264 /nfs/dbraw/zinc/23/42/64/712234264.db2.gz DGMUEDXQVRGKDM-GUBZILKMSA-N 1 0 236.319 0.738 10 0 BCAERO C[C@@H]1COC[C@@H](C)N1C(=O)[C@@H]1[NH2+]CC1(C)C ZINC000710185091 712247734 /nfs/dbraw/zinc/24/77/34/712247734.db2.gz OHUNFDPLYBULIB-BBBLOLIVSA-N 1 0 226.320 0.620 10 0 BCAERO [NH3+][C@H]1CC[C@H](C(=O)N[C@@H]2CCC[C@@H](O)C2)CC1 ZINC000710879405 712260670 /nfs/dbraw/zinc/26/06/70/712260670.db2.gz RLNHAKBVNSDQDO-DDHJBXDOSA-N 1 0 240.347 0.924 10 0 BCAERO COC1CC([NH2+][C@H]2CCC2(OC)OC)C1 ZINC000710954516 712267267 /nfs/dbraw/zinc/26/72/67/712267267.db2.gz AGKCCABKEGYGPP-RTBKNWGFSA-N 1 0 215.293 0.905 10 0 BCAERO COC1(OC)CC[C@@H]1[NH2+][C@H](C)[C@H](C)O ZINC000710987733 712272076 /nfs/dbraw/zinc/27/20/76/712272076.db2.gz JNXZLABLDBHLKQ-VGMNWLOBSA-N 1 0 203.282 0.497 10 0 BCAERO COC1(OC)CC[C@@H]1[NH2+][C@H](C)[C@@H](C)O ZINC000710987731 712272254 /nfs/dbraw/zinc/27/22/54/712272254.db2.gz JNXZLABLDBHLKQ-HLTSFMKQSA-N 1 0 203.282 0.497 10 0 BCAERO C[C@H]1COCCN1C(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000711237209 712290721 /nfs/dbraw/zinc/29/07/21/712290721.db2.gz KCPUJFQKCGXSKR-UWVGGRQHSA-N 1 0 226.320 0.479 10 0 BCAERO CC1(C)C[NH2+]C[C@@H]1C(=O)N[C@H]1CCC[C@@H](O)C1 ZINC000711347738 712295018 /nfs/dbraw/zinc/29/50/18/712295018.db2.gz YHMGDQCIUIQYMA-HBNTYKKESA-N 1 0 240.347 0.652 10 0 BCAERO C[C@H]1NC(=O)CC[C@H]1[NH2+]CCOC1CC1 ZINC000711688093 712317520 /nfs/dbraw/zinc/31/75/20/712317520.db2.gz JOVNOGOJNDXFBS-PSASIEDQSA-N 1 0 212.293 0.422 10 0 BCAERO O[C@H]1COCC[C@@H]1[NH2+]Cc1nccn1C1CC1 ZINC000711793868 712330911 /nfs/dbraw/zinc/33/09/11/712330911.db2.gz HBKZSKQDKVUDSE-QWRGUYRKSA-N 1 0 237.303 0.457 10 0 BCAERO COC[C@@H](C)C(=O)N1C[C@@H](F)C[C@H]1C[NH3+] ZINC000378787706 712361291 /nfs/dbraw/zinc/36/12/91/712361291.db2.gz MAERCTSYNCMFMJ-VGMNWLOBSA-N 1 0 218.272 0.167 10 0 BCAERO CON(C)C(=O)CC[NH2+][C@@H]1CCO[C@@H]1C ZINC000378785116 712361392 /nfs/dbraw/zinc/36/13/92/712361392.db2.gz KWYGMEUHEUHYAI-RKDXNWHRSA-N 1 0 216.281 0.163 10 0 BCAERO [NH3+]C[C@@H]1C[C@H](F)CN1C(=O)c1cnsn1 ZINC000378805475 712362714 /nfs/dbraw/zinc/36/27/14/712362714.db2.gz WSJOMSBJHMXECC-WDSKDSINSA-N 1 0 230.268 0.049 10 0 BCAERO C[C@H]([NH2+]CCn1cncn1)[C@H]1CCCCO1 ZINC000379250971 712371724 /nfs/dbraw/zinc/37/17/24/712371724.db2.gz FIUBYXVYCKMWTC-WDEREUQCSA-N 1 0 224.308 0.825 10 0 BCAERO [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)NC[C@H]2CCC[C@@H]2O)C1 ZINC000713227009 712455609 /nfs/dbraw/zinc/45/56/09/712455609.db2.gz STDMMBPNEMDESC-OOTJXSFTSA-N 1 0 238.331 0.391 10 0 BCAERO C[C@H]1OCC[C@@H]1NC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000713238671 712455626 /nfs/dbraw/zinc/45/56/26/712455626.db2.gz HDNOUEYSWFKYSV-RWHSBRQSSA-N 1 0 224.304 0.407 10 0 BCAERO [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)NC[C@@H]2CCC[C@H]2O)C1 ZINC000713227016 712455679 /nfs/dbraw/zinc/45/56/79/712455679.db2.gz STDMMBPNEMDESC-ZTVLKNOQSA-N 1 0 238.331 0.391 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)NC1CC(COC)C1 ZINC000713930705 712473652 /nfs/dbraw/zinc/47/36/52/712473652.db2.gz MMPKAYYQBGYJLT-UDNWOFFPSA-N 1 0 214.309 0.655 10 0 BCAERO Cc1csc(NC(=O)[C@H]2CO[C@@H](C[NH3+])C2)n1 ZINC000713765521 712471692 /nfs/dbraw/zinc/47/16/92/712471692.db2.gz CBXMHGHTWDUDLZ-HTQZYQBOSA-N 1 0 241.316 0.754 10 0 BCAERO CC(C)CN(C)C(=O)[C@@H]1CO[C@H](C[NH3+])C1 ZINC000713767205 712471752 /nfs/dbraw/zinc/47/17/52/712471752.db2.gz RKPFBOUJMRFRPJ-UWVGGRQHSA-N 1 0 214.309 0.465 10 0 BCAERO CCOCCCCNC(=O)[C@H]1CO[C@H](C[NH3+])C1 ZINC000713767123 712471864 /nfs/dbraw/zinc/47/18/64/712471864.db2.gz QTFFJLNXCRDPPT-MNOVXSKESA-N 1 0 244.335 0.283 10 0 BCAERO CCN(C(=O)[C@@H]1CO[C@H](C[NH3+])C1)C(C)C ZINC000713766368 712472016 /nfs/dbraw/zinc/47/20/16/712472016.db2.gz IAKVMUFIPJVNDK-UWVGGRQHSA-N 1 0 214.309 0.607 10 0 BCAERO C[C@H](NC(=O)[C@@H]1CO[C@@H](C[NH3+])C1)[C@H]1CCCO1 ZINC000713797948 712472324 /nfs/dbraw/zinc/47/23/24/712472324.db2.gz WPNLXWCOTPVXLB-UKKRHICBSA-N 1 0 242.319 0.034 10 0 BCAERO Cc1ccccc1CNC(=O)[C@@H]1CO[C@H](C[NH3+])C1 ZINC000713777220 712472420 /nfs/dbraw/zinc/47/24/20/712472420.db2.gz YTVYURICIIQPSH-STQMWFEESA-N 1 0 248.326 0.975 10 0 BCAERO [NH3+]C[C@H]1C[C@H](C(=O)NCc2ccccc2)CO1 ZINC000713797248 712472555 /nfs/dbraw/zinc/47/25/55/712472555.db2.gz UDVDPURJIDNRMZ-NWDGAFQWSA-N 1 0 234.299 0.667 10 0 BCAERO CCC(C)(C)NC(=O)[C@H]1CO[C@@H](C[NH3+])C1 ZINC000713874614 712473484 /nfs/dbraw/zinc/47/34/84/712473484.db2.gz UADSLHQZXIMIKH-RKDXNWHRSA-N 1 0 214.309 0.655 10 0 BCAERO CC[C@@H]([NH3+])C(=O)NC1CC(COC)C1 ZINC000713930480 712473607 /nfs/dbraw/zinc/47/36/07/712473607.db2.gz KEBLEQVKBMUKFI-AMDVSUOASA-N 1 0 200.282 0.265 10 0 BCAERO COCC1CC(NC(=O)[C@H]([NH3+])C(C)C)C1 ZINC000713929468 712473647 /nfs/dbraw/zinc/47/36/47/712473647.db2.gz BMGDKGMSYZLFKJ-UDNWOFFPSA-N 1 0 214.309 0.511 10 0 BCAERO C[NH2+][C@@H](C)C(=O)NC1CC(COC)C1 ZINC000713930568 712473903 /nfs/dbraw/zinc/47/39/03/712473903.db2.gz LCPSPKHKUHOYEW-UEJVZZJDSA-N 1 0 200.282 0.136 10 0 BCAERO COCC1CC(NC(=O)c2c[nH+]ccc2N)C1 ZINC000713944557 712474257 /nfs/dbraw/zinc/47/42/57/712474257.db2.gz XMWZQHBPHLVLEC-UHFFFAOYSA-N 1 0 235.287 0.649 10 0 BCAERO C[NH2+]C[C@H](C)C(=O)NC1CC(COC)C1 ZINC000713936036 712474315 /nfs/dbraw/zinc/47/43/15/712474315.db2.gz SYXQFZVDZMIOOI-IDKOKCKLSA-N 1 0 214.309 0.383 10 0 BCAERO COCC1CC(NC(=O)[C@H]2CCC[C@@H]2C[NH3+])C1 ZINC000713946556 712474653 /nfs/dbraw/zinc/47/46/53/712474653.db2.gz UBOYEEGWAVXPQK-RSJDFQLWSA-N 1 0 240.347 0.903 10 0 BCAERO COCC1CC(NC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)C1 ZINC000713975879 712475439 /nfs/dbraw/zinc/47/54/39/712475439.db2.gz APTZFXFAVWFXGF-VJINHADFSA-N 1 0 238.331 0.655 10 0 BCAERO COCC1CC([NH2+]Cc2cnn(C)n2)C1 ZINC000713995033 712476879 /nfs/dbraw/zinc/47/68/79/712476879.db2.gz DBTPUEIYOYOIHK-UHFFFAOYSA-N 1 0 210.281 0.330 10 0 BCAERO CCCc1noc([C@H]2CO[C@@H](C[NH3+])C2)n1 ZINC000714078139 712477689 /nfs/dbraw/zinc/47/76/89/712477689.db2.gz UNWTTXMCJMKQLV-HTQZYQBOSA-N 1 0 211.265 0.853 10 0 BCAERO CC1(c2noc([C@@H]3CO[C@@H](C[NH3+])C3)n2)CC1 ZINC000714073934 712477824 /nfs/dbraw/zinc/47/78/24/712477824.db2.gz BBBGNKHUQXMKRI-JGVFFNPUSA-N 1 0 223.276 0.952 10 0 BCAERO [NH3+]C[C@@H]1C[C@@H](c2nc(-c3cccnc3)no2)CO1 ZINC000714062240 712477911 /nfs/dbraw/zinc/47/79/11/712477911.db2.gz DQGNJHLSSFMDKY-ZJUUUORDSA-N 1 0 246.270 0.963 10 0 BCAERO CCn1cc(CN2C[C@@H](C)[C@@H](C[NH3+])C2)nn1 ZINC000714454081 712490369 /nfs/dbraw/zinc/49/03/69/712490369.db2.gz BIZNWWZVLJGGCP-ZJUUUORDSA-N 1 0 223.324 0.325 10 0 BCAERO CCC1([NH3+])CCN(c2ccnc(C(N)=O)c2)CC1 ZINC000714753247 712497403 /nfs/dbraw/zinc/49/74/03/712497403.db2.gz XXXMGNUPVCFKAU-UHFFFAOYSA-N 1 0 248.330 0.888 10 0 BCAERO CSCCC(=O)NCC1CC([NH3+])C1 ZINC000715073001 712505974 /nfs/dbraw/zinc/50/59/74/712505974.db2.gz DQTNXQWFMYRNEV-UHFFFAOYSA-N 1 0 202.323 0.593 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000036872604 712506832 /nfs/dbraw/zinc/50/68/32/712506832.db2.gz IBOJBRYZJLGYLR-BBBLOLIVSA-N 1 0 214.309 0.750 10 0 BCAERO COC(=O)c1ccc(NC[C@H]2C[C@H]([NH3+])C2)nn1 ZINC000715092003 712508009 /nfs/dbraw/zinc/50/80/09/712508009.db2.gz CIQDBLGCCABCGP-ZKCHVHJHSA-N 1 0 236.275 0.412 10 0 BCAERO [NH3+]C1CC(CNC(=O)CCc2cccnc2)C1 ZINC000715098072 712508755 /nfs/dbraw/zinc/50/87/55/712508755.db2.gz XYLVJFJCMZNRCL-UHFFFAOYSA-N 1 0 233.315 0.868 10 0 BCAERO [NH3+]C1CC(CNC(=O)[C@@H](O)c2ccccc2)C1 ZINC000715098074 712509042 /nfs/dbraw/zinc/50/90/42/712509042.db2.gz YASTUSINOGMAAN-NHNAUAITSA-N 1 0 234.299 0.574 10 0 BCAERO C[C@@H]1C[C@@H]1NC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000715113266 712510005 /nfs/dbraw/zinc/51/00/05/712510005.db2.gz BKWFOPJSBQMACD-BWBBJGPYSA-N 1 0 204.220 0.351 10 0 BCAERO [NH3+]C1CC(CNc2cn[nH]c(=O)c2Cl)C1 ZINC000715114041 712510072 /nfs/dbraw/zinc/51/00/72/712510072.db2.gz NSZJUXCNKMNRAH-UHFFFAOYSA-N 1 0 228.683 0.985 10 0 BCAERO [NH3+]C1CC(CNC(=O)/C=C/c2cccnc2)C1 ZINC000715125463 712510858 /nfs/dbraw/zinc/51/08/58/712510858.db2.gz LHEIBPGNEGMFSM-ONEGZZNKSA-N 1 0 231.299 0.948 10 0 BCAERO [NH3+]C1CC(CNC(=O)c2cccnc2F)C1 ZINC000715125480 712510960 /nfs/dbraw/zinc/51/09/60/712510960.db2.gz LWOUYZGOYWBIRX-UHFFFAOYSA-N 1 0 223.251 0.688 10 0 BCAERO C[C@@H]([NH3+])CC(=O)N[C@@H](C)[C@H]1CCCO1 ZINC000715139238 712511263 /nfs/dbraw/zinc/51/12/63/712511263.db2.gz DCLQYKXGXZOPJF-HRDYMLBCSA-N 1 0 200.282 0.407 10 0 BCAERO [NH3+]C1CC(CNC(=O)c2cn3ccccc3n2)C1 ZINC000715153711 712512859 /nfs/dbraw/zinc/51/28/59/712512859.db2.gz YKWQPAYCDQXDEH-UHFFFAOYSA-N 1 0 244.298 0.801 10 0 BCAERO [NH3+]C[C@@H]1C[C@@H]1C(=O)N[C@H]1CCC[C@@H](O)C1 ZINC000715227572 712513801 /nfs/dbraw/zinc/51/38/01/712513801.db2.gz NZQTVCMXHQVZLI-QEYWKRMJSA-N 1 0 212.293 0.001 10 0 BCAERO COc1ccnc(NC[C@H]2C[C@H]([NH3+])C2)n1 ZINC000715132080 712513934 /nfs/dbraw/zinc/51/39/34/712513934.db2.gz LLMJBENDSABHKS-ZKCHVHJHSA-N 1 0 208.265 0.634 10 0 BCAERO [NH3+]C[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCC[C@H](O)C1 ZINC000715227571 712514028 /nfs/dbraw/zinc/51/40/28/712514028.db2.gz NZQTVCMXHQVZLI-JXUBOQSCSA-N 1 0 212.293 0.001 10 0 BCAERO CCCCCNC(=O)[C@]12C[NH2+]C[C@H]1COCC2 ZINC000715460677 712519614 /nfs/dbraw/zinc/51/96/14/712519614.db2.gz IJIBKYQQFOMCIK-WCQYABFASA-N 1 0 240.347 0.919 10 0 BCAERO [NH3+]Cc1cn(C[C@@H]2CC[C@H](C3CC3)O2)nn1 ZINC000715466029 712519866 /nfs/dbraw/zinc/51/98/66/712519866.db2.gz WKUVXGDTMCPLGM-WDEREUQCSA-N 1 0 222.292 0.694 10 0 BCAERO CCCCN(C)C(=O)[C@]12C[NH2+]C[C@H]1COCC2 ZINC000715470767 712520038 /nfs/dbraw/zinc/52/00/38/712520038.db2.gz XRIIPTWJGPZPNN-WCQYABFASA-N 1 0 240.347 0.871 10 0 BCAERO O=C(N1CCOCC1)[C@]12C[NH2+]C[C@H]1CCCC2 ZINC000715484612 712520764 /nfs/dbraw/zinc/52/07/64/712520764.db2.gz LQVHECMCDACVCR-DGCLKSJQSA-N 1 0 238.331 0.625 10 0 BCAERO CCC[C@H]([NH3+])C(=O)NC(C)(C)C(=O)OC ZINC000037033458 712530048 /nfs/dbraw/zinc/53/00/48/712530048.db2.gz LDRDXOTVCIUXRX-ZETCQYMHSA-N 1 0 216.281 0.182 10 0 BCAERO O=C(N[C@@H]1CCCC[C@@H]1O)C12CC[NH+](CC1)C2 ZINC000715818000 712533415 /nfs/dbraw/zinc/53/34/15/712533415.db2.gz LUEFFWDUSKPEJP-MNOVXSKESA-N 1 0 238.331 0.502 10 0 BCAERO C[C@H]([NH2+][C@@H]1CCO[C@@H]1C)c1cn(C)nn1 ZINC000715854334 712536670 /nfs/dbraw/zinc/53/66/70/712536670.db2.gz LNIBHTOQTWUBQS-DJLDLDEBSA-N 1 0 210.281 0.643 10 0 BCAERO C[C@H]1C[C@H](O)CN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000715863912 712536917 /nfs/dbraw/zinc/53/69/17/712536917.db2.gz LILWABHGBRNXNA-QWRGUYRKSA-N 1 0 238.331 0.312 10 0 BCAERO CC[N@@H+]1CC[C@@H](N[C@H](C)c2cn(C)nn2)C1 ZINC000715886468 712539527 /nfs/dbraw/zinc/53/95/27/712539527.db2.gz WAIGOFTTXRMPQZ-NXEZZACHSA-N 1 0 223.324 0.560 10 0 BCAERO CC[N@@H+]1CC[C@@H](N[C@@H](C)c2cn(C)nn2)C1 ZINC000715886473 712539563 /nfs/dbraw/zinc/53/95/63/712539563.db2.gz WAIGOFTTXRMPQZ-VHSXEESVSA-N 1 0 223.324 0.560 10 0 BCAERO CC[N@@H+]1CC[C@H](N[C@H](C)c2cn(C)nn2)C1 ZINC000715886475 712539716 /nfs/dbraw/zinc/53/97/16/712539716.db2.gz WAIGOFTTXRMPQZ-ZJUUUORDSA-N 1 0 223.324 0.560 10 0 BCAERO C[C@@H]([NH2+]C1CCC(O)CC1)c1cn(C)nn1 ZINC000715916032 712542051 /nfs/dbraw/zinc/54/20/51/712542051.db2.gz WYLJCFGRYSJBHP-XNWIYYODSA-N 1 0 224.308 0.769 10 0 BCAERO C[C@H]1OCC[C@@H]1[NH2+]C1CC(S(C)(=O)=O)C1 ZINC000716062855 712549145 /nfs/dbraw/zinc/54/91/45/712549145.db2.gz RGVXMRUCHXIFLA-WOOKNIGNSA-N 1 0 233.333 0.329 10 0 BCAERO C[C@@](O)(C[NH2+]C1CC(C(N)=O)C1)C(F)(F)F ZINC000716724793 712571153 /nfs/dbraw/zinc/57/11/53/712571153.db2.gz ZMUMOWMMCOPSJY-NPWHJSNTSA-N 1 0 240.225 0.153 10 0 BCAERO C[C@@H]1C[C@@H]([NH2+]C2CC(C(N)=O)C2)[C@@H](C)O1 ZINC000716681852 712569784 /nfs/dbraw/zinc/56/97/84/712569784.db2.gz DKQSPPLNFCKXNK-ZDJSQJGASA-N 1 0 212.293 0.406 10 0 BCAERO CCC[C@H](C[NH2+]C1CC(C(N)=O)C1)OC ZINC000716682779 712569794 /nfs/dbraw/zinc/56/97/94/712569794.db2.gz GAVMISHSJFPBQE-UDNWOFFPSA-N 1 0 214.309 0.655 10 0 BCAERO Cn1ncc(Cl)c1C[NH2+]C1CC(C(N)=O)C1 ZINC000716684827 712569906 /nfs/dbraw/zinc/56/99/06/712569906.db2.gz CIQLBQIGQKZZNO-UHFFFAOYSA-N 1 0 242.710 0.427 10 0 BCAERO Cc1nc(C[NH2+]C2CC(C(N)=O)C2)[nH]c1C ZINC000716685299 712569941 /nfs/dbraw/zinc/56/99/41/712569941.db2.gz DUNJWKRHKVUBQO-UHFFFAOYSA-N 1 0 222.292 0.380 10 0 BCAERO C[C@@H]([NH2+]C1CC(C(N)=O)C1)[C@H]1CCCCO1 ZINC000716699456 712570166 /nfs/dbraw/zinc/57/01/66/712570166.db2.gz SOYWRBRPDCOWRI-AGVGLQIMSA-N 1 0 226.320 0.798 10 0 BCAERO C[NH2+]CCc1noc(-c2n[nH]c(C)c2C)n1 ZINC000716693471 712570248 /nfs/dbraw/zinc/57/02/48/712570248.db2.gz OOCDEZQYYKNKLC-UHFFFAOYSA-N 1 0 221.264 0.838 10 0 BCAERO NC(=O)C1CC([NH2+]Cc2ccns2)C1 ZINC000716704332 712570270 /nfs/dbraw/zinc/57/02/70/712570270.db2.gz CWQWECGACJQJJW-UHFFFAOYSA-N 1 0 211.290 0.497 10 0 BCAERO C[C@H]1C[C@H]([NH2+]C2CC(C(N)=O)C2)CN1C1CC1 ZINC000716686697 712570378 /nfs/dbraw/zinc/57/03/78/712570378.db2.gz ZKZTXFYIMIXBMM-PMUOWJKOSA-N 1 0 237.347 0.465 10 0 BCAERO C[C@@H]1[C@@H]([NH2+]C2CC(C(N)=O)C2)CO[C@H]1C ZINC000716707951 712570485 /nfs/dbraw/zinc/57/04/85/712570485.db2.gz XBFFMJQZWIJDSJ-MPJGXYLBSA-N 1 0 212.293 0.263 10 0 BCAERO CO[C@H]1CCC[C@@H]1[NH2+]C1CC(C(N)=O)C1 ZINC000716700274 712570489 /nfs/dbraw/zinc/57/04/89/712570489.db2.gz YHJUBJSZXKBTMG-QLEHZGMVSA-N 1 0 212.293 0.407 10 0 BCAERO NC(=O)C1CC([NH2+][C@@H]2CO[C@H](C3CC3)C2)C1 ZINC000716722402 712570719 /nfs/dbraw/zinc/57/07/19/712570719.db2.gz JBBMMFXTQQQZIN-TVUZUIDESA-N 1 0 224.304 0.407 10 0 BCAERO Cc1cc(C[NH2+]C2CC(C(N)=O)C2)sn1 ZINC000716716843 712570853 /nfs/dbraw/zinc/57/08/53/712570853.db2.gz NIRSWCUIEYBUJX-UHFFFAOYSA-N 1 0 225.317 0.805 10 0 BCAERO C[C@@H]1C[C@@H]([NH2+]C2CC(C(N)=O)C2)CS1 ZINC000716730630 712571055 /nfs/dbraw/zinc/57/10/55/712571055.db2.gz GBKOKGNZJIBBCP-MDVIFZSFSA-N 1 0 214.334 0.734 10 0 BCAERO CC[C@H]1COC[C@H]1[NH2+]C1CC(C(N)=O)C1 ZINC000716729814 712571068 /nfs/dbraw/zinc/57/10/68/712571068.db2.gz BSUFNQFAJKSMTM-AUXWQGHOSA-N 1 0 212.293 0.265 10 0 BCAERO Cc1ncc(C[NH2+]C2CC(C(N)=O)C2)n1C ZINC000716729788 712571134 /nfs/dbraw/zinc/57/11/34/712571134.db2.gz AUPXFTUXYKKZAJ-UHFFFAOYSA-N 1 0 222.292 0.082 10 0 BCAERO Cc1ccoc1C[NH2+]C1CC(C(N)=O)C1 ZINC000716729913 712571136 /nfs/dbraw/zinc/57/11/36/712571136.db2.gz DAZAOXJDUCLGGZ-UHFFFAOYSA-N 1 0 208.261 0.942 10 0 BCAERO CC1(C)C[C@@H]([NH2+]C2CC(C(N)=O)C2)CCO1 ZINC000716769119 712572786 /nfs/dbraw/zinc/57/27/86/712572786.db2.gz GUWYGWWHNMQOCX-KYHHOPLUSA-N 1 0 226.320 0.798 10 0 BCAERO NC(=O)C1CC([NH2+]Cc2ccc(CO)o2)C1 ZINC000716760798 712572850 /nfs/dbraw/zinc/57/28/50/712572850.db2.gz ORTFPTJXLCQYLY-UHFFFAOYSA-N 1 0 224.260 0.125 10 0 BCAERO C[C@H]1C[C@@H]([NH2+]C2CC(C(N)=O)C2)CCN1C ZINC000716762731 712572896 /nfs/dbraw/zinc/57/28/96/712572896.db2.gz ZLSMRIMDKKTLFK-XEAZBWPWSA-N 1 0 225.336 0.323 10 0 BCAERO O=C1C[C@H](NC2CC[NH2+]CC2)CN1CC1CC1 ZINC000716794984 712574370 /nfs/dbraw/zinc/57/43/70/712574370.db2.gz PBDLWKZMQQIFOM-LBPRGKRZSA-N 1 0 237.347 0.339 10 0 BCAERO COC[C@](C)(CO)[NH2+]CC1CC(OC)C1 ZINC000716892250 712580730 /nfs/dbraw/zinc/58/07/30/712580730.db2.gz LVXZRFJRHVBOGZ-ILDUYXDCSA-N 1 0 217.309 0.398 10 0 BCAERO C[N@@H+]1CC[C@H]2CN(C(=O)c3cn[nH]c3)C[C@H]2C1 ZINC000379992337 712645113 /nfs/dbraw/zinc/64/51/13/712645113.db2.gz UKDQFGUAUYEQAN-GXSJLCMTSA-N 1 0 234.303 0.433 10 0 BCAERO CC1(C)CO[C@H](CNC(=O)[C@H]2CCC[NH2+]C2)C1 ZINC000717644460 712662650 /nfs/dbraw/zinc/66/26/50/712662650.db2.gz RQCISLMJYQZNFV-QWRGUYRKSA-N 1 0 240.347 0.917 10 0 BCAERO C[NH2+][C@H](C)C(=O)NC[C@@H]1CC(C)(C)CO1 ZINC000717618629 712662877 /nfs/dbraw/zinc/66/28/77/712662877.db2.gz OAZOENBPFULJKP-BDAKNGLRSA-N 1 0 214.309 0.526 10 0 BCAERO CC(=O)[C@@H]1CCCN(CC(=O)NCC2CC2)C1 ZINC000111689724 712688575 /nfs/dbraw/zinc/68/85/75/712688575.db2.gz CRJHRNPUVMBFLC-GFCCVEGCSA-N 1 0 238.331 0.814 10 0 BCAERO Cc1coc(C[NH2+][C@H]2CCOC[C@@H]2O)c1 ZINC000718069234 712741082 /nfs/dbraw/zinc/74/10/82/712741082.db2.gz BSMOSJQNQQTEEU-QWRGUYRKSA-N 1 0 211.261 0.827 10 0 BCAERO C[C@@H]1CO[C@H](C(=O)N[C@H]2CCC[C@@H]2C[NH3+])C1 ZINC000718497447 712767309 /nfs/dbraw/zinc/76/73/09/712767309.db2.gz CHRQCRCRHUCNGH-VLEAKVRGSA-N 1 0 226.320 0.655 10 0 BCAERO C[C@@H]1CO[C@H](C(=O)N[C@H]2CCC[NH2+][C@H]2C)C1 ZINC000718512877 712768165 /nfs/dbraw/zinc/76/81/65/712768165.db2.gz ZZNXSDDPNNUJHU-NAKRPEOUSA-N 1 0 226.320 0.668 10 0 BCAERO C[C@@H]1CO[C@H](C(=O)N[C@H](C[NH3+])C(F)(F)F)C1 ZINC000718561773 712772978 /nfs/dbraw/zinc/77/29/78/712772978.db2.gz ZXGJKBBEBHLJGN-LYFYHCNISA-N 1 0 240.225 0.417 10 0 BCAERO [NH3+]C[C@@H]1CN(c2ccnc3ncccc23)CCO1 ZINC000718982771 712791853 /nfs/dbraw/zinc/79/18/53/712791853.db2.gz YCUACGJFFLBPFG-SNVBAGLBSA-N 1 0 244.298 0.794 10 0 BCAERO CCC[C@H]1C[C@H]1NC(=O)c1c(C[NH3+])cnn1C ZINC000719245752 712801136 /nfs/dbraw/zinc/80/11/36/712801136.db2.gz SFGDVAQCIKWGNW-WCBMZHEXSA-N 1 0 236.319 0.797 10 0 BCAERO CS(=O)(=O)CC[NH2+]CC[C@@H]1CCCO1 ZINC000038096575 712807914 /nfs/dbraw/zinc/80/79/14/712807914.db2.gz MPHBQQSRVLYCAA-VIFPVBQESA-N 1 0 221.322 0.190 10 0 BCAERO COC[C@@H]([NH3+])C(=O)NCc1ncc(Cl)s1 ZINC000719448794 712808266 /nfs/dbraw/zinc/80/82/66/712808266.db2.gz WDKUHMFPCKWBTB-RXMQYKEDSA-N 1 0 249.723 0.386 10 0 BCAERO Cc1cc(Cn2cc(C(C)(C)[NH3+])nn2)c(C)nn1 ZINC000720553677 712850622 /nfs/dbraw/zinc/85/06/22/712850622.db2.gz WBWAWNVIGQJLSW-UHFFFAOYSA-N 1 0 246.318 0.927 10 0 BCAERO C[C@H](N[C@@H]1CCC[C@H]([NH3+])C1)c1cn(C)nn1 ZINC000720585083 712854715 /nfs/dbraw/zinc/85/47/15/712854715.db2.gz VJMMCIDETCZBPJ-LPEHRKFASA-N 1 0 223.324 0.736 10 0 BCAERO C[C@H](N[C@@H](C)[C@@H]1CCC[NH2+]C1)c1cn(C)nn1 ZINC000720606246 712857824 /nfs/dbraw/zinc/85/78/24/712857824.db2.gz KEZFSFYFCCEEPO-GARJFASQSA-N 1 0 237.351 0.854 10 0 BCAERO C[C@@H](C[NH3+])c1n[nH]nc1C(=O)OC(C)(C)C ZINC000685953868 538898379 /nfs/dbraw/zinc/89/83/79/538898379.db2.gz QGYOOHNNAJIVSS-LURJTMIESA-N 1 0 226.280 0.822 10 0 BCAERO CC[C@@H]1[NH2+]CC[C@@H]1c1n[nH]nc1C(=O)OC ZINC000685953903 538898701 /nfs/dbraw/zinc/89/87/01/538898701.db2.gz OOPHPRYEXAHPHW-BQBZGAKWSA-N 1 0 224.264 0.447 10 0 BCAERO COC(=O)c1n[nH]nc1[C@H](C[NH3+])C(C)C ZINC000685954524 538899312 /nfs/dbraw/zinc/89/93/12/538899312.db2.gz TVRSUABWMJQQPK-ZCFIWIBFSA-N 1 0 212.253 0.290 10 0 BCAERO C[C@@H]1CC[C@@H](S(C)(=O)=O)[C@H](C[NH3+])C1 ZINC000685955072 538899709 /nfs/dbraw/zinc/89/97/09/538899709.db2.gz SEOUSTZPRZJSCJ-HRDYMLBCSA-N 1 0 205.323 0.795 10 0 BCAERO CC[NH2+][C@H](C)Cc1n[nH]nc1C(=O)OC ZINC000685955041 538899746 /nfs/dbraw/zinc/89/97/46/538899746.db2.gz ZIMIRGSOUDXWQC-ZCFIWIBFSA-N 1 0 212.253 0.132 10 0 BCAERO CCOc1cnn(CC(F)(F)C[NH3+])c1 ZINC000685956264 538902045 /nfs/dbraw/zinc/90/20/45/538902045.db2.gz BEWBDQOACSJOPA-UHFFFAOYSA-N 1 0 205.208 0.876 10 0 BCAERO CNCC(F)(F)COC[C@H]1CCOC1 ZINC000685957124 538903497 /nfs/dbraw/zinc/90/34/97/538903497.db2.gz QRYPPPDVBWZCEF-QMMMGPOBSA-N 1 0 209.236 0.894 10 0 BCAERO CCOC(=O)C(F)(F)CNCCC[NH3+] ZINC000685957015 538903631 /nfs/dbraw/zinc/90/36/31/538903631.db2.gz KEWDEZDIOBRZQG-UHFFFAOYSA-N 1 0 210.224 0.123 10 0 BCAERO CC(C)c1ncn(CC(F)(F)C[NH3+])n1 ZINC000685957188 538903716 /nfs/dbraw/zinc/90/37/16/538903716.db2.gz TZTYJBGIOFSKTG-UHFFFAOYSA-N 1 0 204.224 0.996 10 0 BCAERO CNCC(F)(F)CN(C)CC[NH+](C)C ZINC000685957984 538905298 /nfs/dbraw/zinc/90/52/98/538905298.db2.gz NJDJSDPGTMGDAS-UHFFFAOYSA-N 1 0 209.284 0.335 10 0 BCAERO CC(C)[NH2+]CC[C@H](CO)[C@H]1CCS(=O)(=O)C1 ZINC000685960843 538907517 /nfs/dbraw/zinc/90/75/17/538907517.db2.gz FGBADDMPMUDYAT-MNOVXSKESA-N 1 0 249.376 0.418 10 0 BCAERO CC(C)[NH2+]CC[C@H](CO)[C@@H]1CCS(=O)(=O)C1 ZINC000685960842 538907654 /nfs/dbraw/zinc/90/76/54/538907654.db2.gz FGBADDMPMUDYAT-GHMZBOCLSA-N 1 0 249.376 0.418 10 0 BCAERO Cn1c(Cl)ncc1[C@@H](O)C(C)(C)[NH3+] ZINC000575508698 398137407 /nfs/dbraw/zinc/13/74/07/398137407.db2.gz RYLOGLHMEPFJHA-ZCFIWIBFSA-N 1 0 203.673 0.844 10 0 BCAERO COCCn1c2c(nc1N(C)C)C[NH2+]CC2 ZINC000685962720 538909524 /nfs/dbraw/zinc/90/95/24/538909524.db2.gz QRORDQXUMMXRRK-UHFFFAOYSA-N 1 0 224.308 0.241 10 0 BCAERO COC(=O)c1n[nH]nc1[C@@H]1CC[NH2+][C@@H]1C ZINC000685952556 538896304 /nfs/dbraw/zinc/89/63/04/538896304.db2.gz ATMUGGAZOKZWSL-PHDIDXHHSA-N 1 0 210.237 0.057 10 0 BCAERO CCS(=O)(=O)[C@@H]1CC[C@H]([NH3+])C[C@H]1C ZINC000685953043 538896791 /nfs/dbraw/zinc/89/67/91/538896791.db2.gz FRDLDJMGXSOUMP-HRDYMLBCSA-N 1 0 205.323 0.937 10 0 BCAERO CCOC(=O)c1n[nH]nc1[C@H](C)C[NH2+]C ZINC000685953073 538897004 /nfs/dbraw/zinc/89/70/04/538897004.db2.gz FMVCNLNLLNWGSQ-ZCFIWIBFSA-N 1 0 212.253 0.304 10 0 BCAERO C[C@@H](C(=O)N1CCCC1)n1cnc(N)c1 ZINC000685964196 538911044 /nfs/dbraw/zinc/91/10/44/538911044.db2.gz KQHWIHDDUCDVSX-QMMMGPOBSA-N 1 0 208.265 0.649 10 0 BCAERO Cc1n[nH]cc1C(=O)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000070940956 398141223 /nfs/dbraw/zinc/14/12/23/398141223.db2.gz MXHWCUGORAQIMH-SNVBAGLBSA-N 1 0 236.319 0.742 10 0 BCAERO CCC(CC)(C[NH3+])C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000062967612 168322100 /nfs/dbraw/zinc/32/21/00/168322100.db2.gz GLMNMQGFLGNLIF-NSHDSACASA-N 1 0 241.379 0.914 10 0 BCAERO CCC(CC)(C[NH3+])C(=O)N[C@@H]1CCC(=O)NC1 ZINC000111018877 168322578 /nfs/dbraw/zinc/32/25/78/168322578.db2.gz POWGWKNUBVABJE-SECBINFHSA-N 1 0 241.335 0.146 10 0 BCAERO COC(=O)c1cncnc1NCCC[NH3+] ZINC000300978344 349486600 /nfs/dbraw/zinc/48/66/00/349486600.db2.gz XZWLVGBNPKRYMQ-UHFFFAOYSA-N 1 0 210.237 0.024 10 0 BCAERO Cc1cc(C(=O)N2C[C@H](C)[C@H]([NH3+])C2)nn1C ZINC000300952823 349473872 /nfs/dbraw/zinc/47/38/72/349473872.db2.gz UKIZHYQJVTYWJL-IONNQARKSA-N 1 0 222.292 0.148 10 0 BCAERO C[C@H]([NH2+]C[C@@H]1CN(C)CCO1)[C@@H]1CCOC1 ZINC000161577459 349475860 /nfs/dbraw/zinc/47/58/60/349475860.db2.gz JFUVZULHNVOQCF-QJPTWQEYSA-N 1 0 228.336 0.332 10 0 BCAERO CC(C)(C)OC(=O)N[C@@H]1CCOC[C@@H]1[NH3+] ZINC000257932684 349497629 /nfs/dbraw/zinc/49/76/29/349497629.db2.gz ABPWYJBKUUVONI-JGVFFNPUSA-N 1 0 216.281 0.627 10 0 BCAERO CCO[C@H](CC)C(=O)NC[C@H](C)[NH2+]C ZINC000389983442 398154534 /nfs/dbraw/zinc/15/45/34/398154534.db2.gz KQBQTTWJHFGTCS-DTWKUNHWSA-N 1 0 202.298 0.526 10 0 BCAERO CCO[C@@H](CC)C(=O)NC[C@@H](C)[NH2+]C ZINC000389983441 398154551 /nfs/dbraw/zinc/15/45/51/398154551.db2.gz KQBQTTWJHFGTCS-BDAKNGLRSA-N 1 0 202.298 0.526 10 0 BCAERO CCO[C@@H](CC)C(=O)NC[C@H](C)[NH2+]C ZINC000389983443 398154712 /nfs/dbraw/zinc/15/47/12/398154712.db2.gz KQBQTTWJHFGTCS-IUCAKERBSA-N 1 0 202.298 0.526 10 0 BCAERO Cc1cc(C[NH2+]CC(=O)N(C)C)c(C)n1C ZINC000052789823 178019226 /nfs/dbraw/zinc/01/92/26/178019226.db2.gz NHRPLXTVXWLDDO-UHFFFAOYSA-N 1 0 223.320 0.820 10 0 BCAERO Cc1cc(C[NH2+][C@@H](C)C(N)=O)c(C)n1C ZINC000052789851 178028855 /nfs/dbraw/zinc/02/88/55/178028855.db2.gz NGNWQTMDMKFIIJ-QMMMGPOBSA-N 1 0 209.293 0.605 10 0 BCAERO C[NH+](C)CC(=O)N1CCC[C@H]1CCCO ZINC000167861418 136215549 /nfs/dbraw/zinc/21/55/49/136215549.db2.gz YYPDRVNEEHRUDT-JTQLQIEISA-N 1 0 214.309 0.312 10 0 BCAERO CC(C)C1(CNC(=O)[C@@H]2C[NH2+]CCOC2)CC1 ZINC000643711829 398180167 /nfs/dbraw/zinc/18/01/67/398180167.db2.gz DCUGNXUKVVWTPD-LLVKDONJSA-N 1 0 240.347 0.775 10 0 BCAERO COC[C@@H](NC(=O)[C@H]1C[NH2+]CCOC1)C(C)C ZINC000643712630 398180282 /nfs/dbraw/zinc/18/02/82/398180282.db2.gz YAPSYQMGXHVUQG-WDEREUQCSA-N 1 0 244.335 0.010 10 0 BCAERO Cc1cc(Cl)nc([S@](=O)[C@H]2CC[NH2+]C2)n1 ZINC000095069387 178072903 /nfs/dbraw/zinc/07/29/03/178072903.db2.gz XRJHCMSYATZNTC-ZIDLFYJRSA-N 1 0 245.735 0.908 10 0 BCAERO Cc1cc(Cl)nc([S@](=O)[C@@H]2CC[NH2+]C2)n1 ZINC000095069385 178072943 /nfs/dbraw/zinc/07/29/43/178072943.db2.gz XRJHCMSYATZNTC-MLXNANBUSA-N 1 0 245.735 0.908 10 0 BCAERO Cc1cc(F)cc(C)c1S(=O)(=O)NCC[NH3+] ZINC000229327095 178077200 /nfs/dbraw/zinc/07/72/00/178077200.db2.gz TYAAFYQEMXVVOU-UHFFFAOYSA-N 1 0 246.307 0.680 10 0 BCAERO CO[C@H](C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000182041746 136218558 /nfs/dbraw/zinc/21/85/58/136218558.db2.gz ASJUIMFTZNLNMQ-NXEZZACHSA-N 1 0 214.309 0.574 10 0 BCAERO Cc1cc2ncnn2c(N(C)CC[NH3+])c1 ZINC000053663647 178098796 /nfs/dbraw/zinc/09/87/96/178098796.db2.gz OEKGRWNTZFWDER-UHFFFAOYSA-N 1 0 205.265 0.433 10 0 BCAERO CN(C)[C@@H]1C[NH2+]C[C@@H](C(=O)OC(C)(C)C)C1 ZINC000536961257 398199866 /nfs/dbraw/zinc/19/98/66/398199866.db2.gz YLWZYPUNUCFEMH-UWVGGRQHSA-N 1 0 228.336 0.868 10 0 BCAERO CC1(C[N@@H+]2CCC[C@](O)(C(N)=O)C2)CCC1 ZINC000309323570 136217851 /nfs/dbraw/zinc/21/78/51/136217851.db2.gz HPWOGIUETWAGPI-GFCCVEGCSA-N 1 0 226.320 0.489 10 0 BCAERO CN(C)[C@H]1C[NH2+]C[C@H](C(=O)OC(C)(C)C)C1 ZINC000536961254 398199938 /nfs/dbraw/zinc/19/99/38/398199938.db2.gz YLWZYPUNUCFEMH-NXEZZACHSA-N 1 0 228.336 0.868 10 0 BCAERO Cc1cc(N(CCC[NH3+])C2CC2)n2ncnc2n1 ZINC000035663719 178101826 /nfs/dbraw/zinc/10/18/26/178101826.db2.gz FUAPAGNFUJNNQF-UHFFFAOYSA-N 1 0 246.318 0.750 10 0 BCAERO CN(C)[C@@H]1C[NH2+]C[C@H](C(=O)OC(C)(C)C)C1 ZINC000536961259 398199990 /nfs/dbraw/zinc/19/99/90/398199990.db2.gz YLWZYPUNUCFEMH-ZJUUUORDSA-N 1 0 228.336 0.868 10 0 BCAERO Cc1cnn(C)c1[C@H](C[NH3+])C1(CO)CCC1 ZINC000536954476 398197902 /nfs/dbraw/zinc/19/79/02/398197902.db2.gz PZGIKOIJYRIDDP-JTQLQIEISA-N 1 0 223.320 0.933 10 0 BCAERO Cc1cc(N2CC[C@@](C)(C[NH3+])C2)ncn1 ZINC000235852011 178117750 /nfs/dbraw/zinc/11/77/50/178117750.db2.gz ZCAYTYUHMHROPH-NSHDSACASA-N 1 0 206.293 0.960 10 0 BCAERO Cc1cc(N2CC[C@](C)(C[NH3+])C2)n2ncnc2n1 ZINC000235972922 178119655 /nfs/dbraw/zinc/11/96/55/178119655.db2.gz YPSBVSOWEAPFNQ-GFCCVEGCSA-N 1 0 246.318 0.608 10 0 BCAERO CCOCCCC(=O)N1C[C@H](C)[C@H](C[NH3+])C1 ZINC000638892676 398203749 /nfs/dbraw/zinc/20/37/49/398203749.db2.gz QIIJFPIIDVTTTR-WDEREUQCSA-N 1 0 228.336 0.856 10 0 BCAERO Cc1cc(NC(=O)C[C@@H]2CC[NH2+]C2)no1 ZINC000084381439 178133735 /nfs/dbraw/zinc/13/37/35/178133735.db2.gz LMFQWBXMROJOED-QMMMGPOBSA-N 1 0 209.249 0.921 10 0 BCAERO Cc1cc(NC(=O)[C@H](C)C2C[NH2+]C2)no1 ZINC000129032978 178146659 /nfs/dbraw/zinc/14/66/59/178146659.db2.gz HDDABZIGEPWFJM-SSDOTTSWSA-N 1 0 209.249 0.777 10 0 BCAERO C[C@@H](CO)C[NH2+][C@@H](CO)c1ccccc1 ZINC000163242693 538927039 /nfs/dbraw/zinc/92/70/39/538927039.db2.gz BHEQHLUANOJCTC-PWSUYJOCSA-N 1 0 209.289 0.938 10 0 BCAERO COc1ccc(C[NH2+]CC2CC(O)C2)cn1 ZINC000166806122 398212682 /nfs/dbraw/zinc/21/26/82/398212682.db2.gz UDBJILLGYWIWPW-UHFFFAOYSA-N 1 0 222.288 0.951 10 0 BCAERO C[C@@H]1OCC[C@H]1[S@@](=O)C1CC[NH2+]CC1 ZINC000306578942 398213230 /nfs/dbraw/zinc/21/32/30/398213230.db2.gz MWFPFCXOPMUELO-HNXYLICVSA-N 1 0 217.334 0.665 10 0 BCAERO Cc1cc(NC[C@@H]2CCC[NH2+]C2)n2ncnc2n1 ZINC000044502759 178166413 /nfs/dbraw/zinc/16/64/13/178166413.db2.gz VSJSOFARLMHVCR-SNVBAGLBSA-N 1 0 246.318 0.844 10 0 BCAERO Cc1cc(NC[C@H]2CN3CCN2CC3)cc[nH+]1 ZINC000302461242 178170279 /nfs/dbraw/zinc/17/02/79/178170279.db2.gz OYBNRRUBZVSUHJ-ZDUSSCGKSA-N 1 0 232.331 0.802 10 0 BCAERO Cc1cc(N[C@H]2CCC[C@@H]2[NH3+])n2ncnc2n1 ZINC000063177283 178188506 /nfs/dbraw/zinc/18/85/06/178188506.db2.gz NBAFRQFMAKFYPL-IUCAKERBSA-N 1 0 232.291 0.724 10 0 BCAERO CC[C@@H](C)NC(=O)C[NH2+][C@@H](C)COC ZINC000020041797 538930261 /nfs/dbraw/zinc/93/02/61/538930261.db2.gz ZGSXCVUBHIXTQY-BDAKNGLRSA-N 1 0 202.298 0.526 10 0 BCAERO CO[C@H]1C[NH2+][C@@H](c2nc(C3CC3)no2)C1 ZINC000021505578 136222184 /nfs/dbraw/zinc/22/21/84/136222184.db2.gz ASWIBTMGLOTJQK-HTQZYQBOSA-N 1 0 209.249 0.996 10 0 BCAERO C[C@@H]1C[C@@H](O)CN1[C@H](C[NH3+])C(F)(F)F ZINC000306643409 361780962 /nfs/dbraw/zinc/78/09/62/361780962.db2.gz WNVBNAWNDYTBRK-FSDSQADBSA-N 1 0 212.215 0.331 10 0 BCAERO Cn1nccc1-c1cnn(CCC[NH3+])c1 ZINC000379803440 361779331 /nfs/dbraw/zinc/77/93/31/361779331.db2.gz MZOLMFFRTGBDGF-UHFFFAOYSA-N 1 0 205.265 0.632 10 0 BCAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)NCCCn1cncn1 ZINC000381218514 398236152 /nfs/dbraw/zinc/23/61/52/398236152.db2.gz YYEUWJHBKORBDM-NXEZZACHSA-N 1 0 239.323 0.158 10 0 BCAERO CC(C)NC(=O)C[N@@H+]1C[C@H](C)C[C@@H](O)C1 ZINC000334881405 398236684 /nfs/dbraw/zinc/23/66/84/398236684.db2.gz MRWNJWUUVIELCX-NXEZZACHSA-N 1 0 214.309 0.214 10 0 BCAERO Cc1cc([C@H]2NC(=O)CC[C@H]2[NH3+])c(C)n1C ZINC000238854945 178268102 /nfs/dbraw/zinc/26/81/02/178268102.db2.gz PTKZVLQWXWDTNY-ZYHUDNBSSA-N 1 0 221.304 0.920 10 0 BCAERO CCc1nnc(CN(C)C2CC[NH2+]CC2)n1C ZINC000576517988 365616449 /nfs/dbraw/zinc/61/64/49/365616449.db2.gz SMTRIHHQEIQPCY-UHFFFAOYSA-N 1 0 237.351 0.561 10 0 BCAERO Cc1cc2c(NC[C@@H]3C[NH2+]CCO3)nccn2n1 ZINC000129945235 178280932 /nfs/dbraw/zinc/28/09/32/178280932.db2.gz PPVQCVONWHEMGU-JTQLQIEISA-N 1 0 247.302 0.438 10 0 BCAERO COc1c(C[NH2+]C[C@@H]2CCOC2)c(C)nn1C ZINC000134144588 398240657 /nfs/dbraw/zinc/24/06/57/398240657.db2.gz KCFWPHZJXPZKNV-JTQLQIEISA-N 1 0 239.319 0.863 10 0 BCAERO Cc1cc(C[NH2+][C@H]2CCCN(CCO)C2)on1 ZINC000395029714 398248146 /nfs/dbraw/zinc/24/81/46/398248146.db2.gz GSOZFSMRSPKRQL-NSHDSACASA-N 1 0 239.319 0.529 10 0 BCAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)Nc1nc[nH]n1 ZINC000645409833 398248464 /nfs/dbraw/zinc/24/84/64/398248464.db2.gz DZOXUEIAHRGUSI-BQBZGAKWSA-N 1 0 209.253 0.131 10 0 BCAERO Cc1cc2c(n1CC(N)=O)CCC[C@H]2[NH3+] ZINC000041726605 178293191 /nfs/dbraw/zinc/29/31/91/178293191.db2.gz YXBYGWIYSKIVLO-SECBINFHSA-N 1 0 207.277 0.618 10 0 BCAERO Cc1c(C[NH3+])cnn1-c1ccc(C)nn1 ZINC000019948243 178350183 /nfs/dbraw/zinc/35/01/83/178350183.db2.gz XZKIKSNJYUYRIB-UHFFFAOYSA-N 1 0 203.249 0.738 10 0 BCAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)N(CC)CC(=O)N(C)C ZINC000036200293 398257379 /nfs/dbraw/zinc/25/73/79/398257379.db2.gz HKIHDLMQOBOKPT-MWLCHTKSSA-N 1 0 243.351 0.297 10 0 BCAERO Cc1ccc(-n2cc(CCC[NH3+])cn2)nn1 ZINC000054680927 178345586 /nfs/dbraw/zinc/34/55/86/178345586.db2.gz PZAAZJZPEGOKMY-UHFFFAOYSA-N 1 0 217.276 0.862 10 0 BCAERO CS(=O)(=O)CCCCN1CCC[C@H]1C[NH3+] ZINC000381401452 398255683 /nfs/dbraw/zinc/25/56/83/398255683.db2.gz RDBPZCWNMOFAII-JTQLQIEISA-N 1 0 234.365 0.234 10 0 BCAERO C[C@@H]1[C@@H](O)CCC[N@@H+]1C[C@H]1CCCN1C ZINC000386318588 398264673 /nfs/dbraw/zinc/26/46/73/398264673.db2.gz NEBDQZOAFIZQGK-UTUOFQBUSA-N 1 0 212.337 0.926 10 0 BCAERO Cc1ccc(=O)n(CC[C@H]2CCC[NH2+]C2)n1 ZINC000061810551 178360587 /nfs/dbraw/zinc/36/05/87/178360587.db2.gz IWXHKYJVRDMHHF-LLVKDONJSA-N 1 0 221.304 0.941 10 0 BCAERO Cc1ccc(=O)n(C[C@@H]2CCC[NH2+]C2)n1 ZINC000061810563 178361317 /nfs/dbraw/zinc/36/13/17/178361317.db2.gz SUYNJYLCJYNPAW-SNVBAGLBSA-N 1 0 207.277 0.551 10 0 BCAERO CCC(CC)N(CCO)C(=O)[C@@H](C)C[NH3+] ZINC000044807485 168372070 /nfs/dbraw/zinc/37/20/70/168372070.db2.gz XUPITGOKLKKRHX-VIFPVBQESA-N 1 0 216.325 0.591 10 0 BCAERO C[C@H]1COC[C@@H](C2C(=O)CCCC2=O)[NH2+]1 ZINC000230796247 538951268 /nfs/dbraw/zinc/95/12/68/538951268.db2.gz PNEUSCRZCTXTFY-YUMQZZPRSA-N 1 0 211.261 0.302 10 0 BCAERO COC[C@H](C)NC(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000381594237 398265142 /nfs/dbraw/zinc/26/51/42/398265142.db2.gz KWEZNYOTSPPQGS-IQJOONFLSA-N 1 0 212.293 0.137 10 0 BCAERO Cc1ccc(C(=O)N2C[C@@H]3C[NH2+]C[C@H]3C2)o1 ZINC000085282739 178398109 /nfs/dbraw/zinc/39/81/09/178398109.db2.gz VGHRMGBKIWAGMS-UWVGGRQHSA-N 1 0 220.272 0.879 10 0 BCAERO CC(C)[C@H](CCO)[NH2+]Cc1nnnn1C(C)C ZINC000162167354 349582913 /nfs/dbraw/zinc/58/29/13/349582913.db2.gz ZCKRZKNXWGBGMX-JTQLQIEISA-N 1 0 241.339 0.751 10 0 BCAERO OC[C@@H]1C[C@H]1[NH2+]Cc1cn2ccccc2n1 ZINC000378779858 346831460 /nfs/dbraw/zinc/83/14/60/346831460.db2.gz JAQKSHOXDQSDHN-GXSJLCMTSA-N 1 0 217.272 0.805 10 0 BCAERO CNC(=O)[C@H]([NH2+]CCCn1ccnc1)C(C)C ZINC000179672466 538955444 /nfs/dbraw/zinc/95/54/44/538955444.db2.gz PUQDBYNCYUOPRQ-LLVKDONJSA-N 1 0 238.335 0.633 10 0 BCAERO CCCCS(=O)(=O)NC[C@@H]1CC[C@@H]([NH3+])C1 ZINC000035904918 538958237 /nfs/dbraw/zinc/95/82/37/538958237.db2.gz DKBMUILSFHLRMS-NXEZZACHSA-N 1 0 234.365 0.833 10 0 BCAERO C[C@H]([NH2+][C@H]1CCc2ncnn2C1)C1CC1 ZINC000165302234 361838031 /nfs/dbraw/zinc/83/80/31/361838031.db2.gz IWTXGYRSEDASII-WPRPVWTQSA-N 1 0 206.293 0.981 10 0 BCAERO [NH3+][C@H]1CC[C@H](C(=O)NCc2csc(=O)[nH]2)C1 ZINC000231705081 342691210 /nfs/dbraw/zinc/69/12/10/342691210.db2.gz NPXPLRYATGSLAO-BQBZGAKWSA-N 1 0 241.316 0.180 10 0 BCAERO [NH3+][C@H]1CC[C@@H](C(=O)NCc2csc(=O)[nH]2)C1 ZINC000231705077 342691255 /nfs/dbraw/zinc/69/12/55/342691255.db2.gz NPXPLRYATGSLAO-RQJHMYQMSA-N 1 0 241.316 0.180 10 0 BCAERO [NH3+][C@@H]1CC[C@@H](C(=O)N[C@H]2CCCOCC2)C1 ZINC000309589478 342715755 /nfs/dbraw/zinc/71/57/55/342715755.db2.gz YHAIHXZROZJMPD-MXWKQRLJSA-N 1 0 226.320 0.799 10 0 BCAERO CC12C[N@H+]3C[C@@](C)(C[C@@](C)(C3)[C@H]1O)[C@H]2O ZINC000144648085 342747986 /nfs/dbraw/zinc/74/79/86/342747986.db2.gz UQEMGBDDIHBGNV-JPIWQCGSSA-N 1 0 211.305 0.460 10 0 BCAERO CN1CCN([NH+]=C(N)NCc2ccccc2)CC1 ZINC000306658655 361868968 /nfs/dbraw/zinc/86/89/68/361868968.db2.gz JAVOPMXEZTZRMQ-UHFFFAOYSA-N 1 0 247.346 0.463 10 0 BCAERO CSCC(=O)N1C[C@H](C)[C@H](C[NH3+])C1 ZINC000602593799 349616523 /nfs/dbraw/zinc/61/65/23/349616523.db2.gz NEJYXTYKBXMCIC-JGVFFNPUSA-N 1 0 202.323 0.403 10 0 BCAERO CO[C@H](C[NH3+])CC(=O)N[C@H](C)[C@H]1CCCO1 ZINC000261534970 536569033 /nfs/dbraw/zinc/56/90/33/536569033.db2.gz UYDLFDDJQBGNAJ-KXUCPTDWSA-N 1 0 230.308 0.034 10 0 BCAERO CC(C)[C@@H](C(=O)N[C@@H](C)C(=O)N(C)C)[C@H](C)[NH3+] ZINC000399572161 342739380 /nfs/dbraw/zinc/73/93/80/342739380.db2.gz KMWMPJRAOFGAOA-LPEHRKFASA-N 1 0 243.351 0.199 10 0 BCAERO CC(C)[C@@H](C(=O)N[C@@H](C)C(=O)N(C)C)[C@@H](C)[NH3+] ZINC000399572160 342739535 /nfs/dbraw/zinc/73/95/35/342739535.db2.gz KMWMPJRAOFGAOA-KXUCPTDWSA-N 1 0 243.351 0.199 10 0 BCAERO CCN(C)C(=O)[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1O ZINC000231849336 342740029 /nfs/dbraw/zinc/74/00/29/342740029.db2.gz QRPFMKCRFOVGTE-GMTAPVOTSA-N 1 0 228.336 0.746 10 0 BCAERO C[C@@H]([NH3+])C[C@@H](C)NC(=O)[C@H]1CCCO1 ZINC000320808122 342740212 /nfs/dbraw/zinc/74/02/12/342740212.db2.gz HYRGEJHPFGOPSG-IWSPIJDZSA-N 1 0 200.282 0.407 10 0 BCAERO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCC(N)=S ZINC000035786415 342758986 /nfs/dbraw/zinc/75/89/86/342758986.db2.gz RJRBZVIBPNOZKD-SFYZADRCSA-N 1 0 202.323 0.772 10 0 BCAERO OCCN1CCC[C@H]([NH2+]Cc2ccco2)C1 ZINC000309657127 342776739 /nfs/dbraw/zinc/77/67/39/342776739.db2.gz WHIHZPOSDZMPLF-NSHDSACASA-N 1 0 224.304 0.826 10 0 BCAERO COC(=O)[C@@H]([NH3+])[C@H]1CCOC(C)(C)C1 ZINC000147949282 342783701 /nfs/dbraw/zinc/78/37/01/342783701.db2.gz MKHBEKVALPWSSY-YUMQZZPRSA-N 1 0 201.266 0.692 10 0 BCAERO C[C@H]1C[C@H](C[NH3+])CN1S(=O)(=O)C(F)F ZINC000126872936 342797445 /nfs/dbraw/zinc/79/74/45/342797445.db2.gz CVGAXHRFIWADAF-NTSWFWBYSA-N 1 0 228.264 0.208 10 0 BCAERO C([C@@H]1CSCC[NH2+]1)N1CCOCC1 ZINC000127037353 342814740 /nfs/dbraw/zinc/81/47/40/342814740.db2.gz HPDXKIMCWRBGQW-SECBINFHSA-N 1 0 202.323 0.024 10 0 BCAERO CC(C)[C@@H](CCO)[NH2+][C@@H]1CCC[C@H]1O ZINC000231078153 488181662 /nfs/dbraw/zinc/18/16/62/488181662.db2.gz YYQLAUSOVMPFAQ-GMTAPVOTSA-N 1 0 201.310 0.896 10 0 BCAERO [NH3+][C@H]1CC[C@H](C(=O)N2CCC(CCO)CC2)C1 ZINC000401001671 398288355 /nfs/dbraw/zinc/28/83/55/398288355.db2.gz BRMLYYXEMOXMAH-RYUDHWBXSA-N 1 0 240.347 0.735 10 0 BCAERO C[C@@H]1CCC[C@H](CN)[N@@H+]1CC(C)(C)O ZINC000069722907 342823704 /nfs/dbraw/zinc/82/37/04/342823704.db2.gz ODRGMKGGYRTEKX-NXEZZACHSA-N 1 0 200.326 0.959 10 0 BCAERO C[C@H]1C[N@H+](CCC(N)=S)CC[C@@H]1O ZINC000126954634 342807575 /nfs/dbraw/zinc/80/75/75/342807575.db2.gz RMMVVRSWKORWLD-YUMQZZPRSA-N 1 0 202.323 0.365 10 0 BCAERO Cc1nc([C@@H]2NC(=O)CC[C@H]2[NH3+])cs1 ZINC000126969867 342807917 /nfs/dbraw/zinc/80/79/17/342807917.db2.gz FAJMOPKZMOSKJL-HZGVNTEJSA-N 1 0 211.290 0.730 10 0 BCAERO CCc1ccc2c(c1)N1CC[NH2+]C[C@@H]1NC2=O ZINC000138399406 342830026 /nfs/dbraw/zinc/83/00/26/342830026.db2.gz LWEKKQXQUUOXQF-GFCCVEGCSA-N 1 0 231.299 0.728 10 0 BCAERO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)Cc1ccn(C)n1 ZINC000335479965 398290964 /nfs/dbraw/zinc/29/09/64/398290964.db2.gz PZLBSOPRKCNSRH-KOLCDFICSA-N 1 0 236.319 0.219 10 0 BCAERO COC[C@@H](C)C[N@@H+]1CCC[C@H](NC(C)=O)C1 ZINC000189664530 538984065 /nfs/dbraw/zinc/98/40/65/538984065.db2.gz SAOSFVYFQQXSDJ-JQWIXIFHSA-N 1 0 228.336 0.869 10 0 BCAERO COC[C@H](C)C[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000189748577 538984792 /nfs/dbraw/zinc/98/47/92/538984792.db2.gz CBNICIKCJPSBGU-OLZOCXBDSA-N 1 0 242.363 0.675 10 0 BCAERO CCOC[C@@H](C)[NH2+]C1CCN(CCO)CC1 ZINC000381512207 539002787 /nfs/dbraw/zinc/00/27/87/539002787.db2.gz XNVHSEGIEQWYCG-LLVKDONJSA-N 1 0 230.352 0.458 10 0 BCAERO Cc1nnc2n1C[C@@H]([NH2+][C@H]1CCOC1)CC2 ZINC000381563498 539003568 /nfs/dbraw/zinc/00/35/68/539003568.db2.gz SFHARDWEOOFEDZ-UWVGGRQHSA-N 1 0 222.292 0.280 10 0 BCAERO CC[C@](C)(O)C[NH+]1CCC(S(C)(=O)=O)CC1 ZINC000381573194 539004240 /nfs/dbraw/zinc/00/42/40/539004240.db2.gz XCQWHKQDEJBIEU-NSHDSACASA-N 1 0 249.376 0.656 10 0 BCAERO CCN1C[C@H](C)[C@H]([NH2+][C@H](C)CS(C)(=O)=O)C1 ZINC000381742789 539006355 /nfs/dbraw/zinc/00/63/55/539006355.db2.gz PGVCXTFDPXABOF-HBNTYKKESA-N 1 0 248.392 0.349 10 0 BCAERO Cn1nccc1[C@H]1OCC[C@@H]1[NH2+]C1CSC1 ZINC000381991043 539007996 /nfs/dbraw/zinc/00/79/96/539007996.db2.gz HPIDNSGNUFQYFQ-ONGXEEELSA-N 1 0 239.344 0.955 10 0 BCAERO CCC[N@@H+]1CCC[C@H]([C@@H](C)S(N)(=O)=O)C1 ZINC000050350506 539010731 /nfs/dbraw/zinc/01/07/31/539010731.db2.gz PIRARRJSVJGVAW-ZJUUUORDSA-N 1 0 234.365 0.785 10 0 BCAERO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2CO)C1 ZINC000386354604 539013490 /nfs/dbraw/zinc/01/34/90/539013490.db2.gz VDGOHGJTYXZVDJ-SDDRHHMPSA-N 1 0 240.347 0.605 10 0 BCAERO CC[C@@H]1CN(C(C)=O)CC[N@@H+]1C[C@@H](C)O ZINC000174611436 361951667 /nfs/dbraw/zinc/95/16/67/361951667.db2.gz GDPKJNRXYDBHMX-MWLCHTKSSA-N 1 0 214.309 0.310 10 0 BCAERO COC(=O)[C@H](C)C[N@H+](C)[C@H]1CCOC1 ZINC000251152212 536606828 /nfs/dbraw/zinc/60/68/28/536606828.db2.gz YJCGGYFCWXGBHL-BDAKNGLRSA-N 1 0 201.266 0.516 10 0 BCAERO C[NH+](C)C[C@H]1COC[C@@H]1N1CCC(CO)CC1 ZINC000725273979 539027011 /nfs/dbraw/zinc/02/70/11/539027011.db2.gz ZVEUBSAZMHRTCB-STQMWFEESA-N 1 0 242.363 0.267 10 0 BCAERO CC(C)c1cnn([C@H](C)[C@@H]([NH3+])C(N)=O)c1 ZINC000710697898 539028010 /nfs/dbraw/zinc/02/80/10/539028010.db2.gz CFHBTHGPQISTOF-VXNVDRBHSA-N 1 0 210.281 0.380 10 0 BCAERO CC(C)[C@@H]([NH3+])C(=O)N1CCSC[C@@H]1C ZINC000069761763 342839535 /nfs/dbraw/zinc/83/95/35/342839535.db2.gz CCKLFSHWBITYRC-DTWKUNHWSA-N 1 0 216.350 0.934 10 0 BCAERO COCCC(=O)N1C[C@H]([NH3+])C(C)(C)C1 ZINC000388044604 539014548 /nfs/dbraw/zinc/01/45/48/539014548.db2.gz JPRCTFGWHGUFPF-QMMMGPOBSA-N 1 0 200.282 0.219 10 0 BCAERO C[C@@H]1CCC[N@H+](CC[C@H](N)C(N)=O)[C@@H]1C ZINC000062530725 539016680 /nfs/dbraw/zinc/01/66/80/539016680.db2.gz MMMJKSAGCWIHOB-BBBLOLIVSA-N 1 0 213.325 0.310 10 0 BCAERO CC[N@H+](C)C[C@@H](O)Cn1cc(Cl)c(N)n1 ZINC000389672017 539017096 /nfs/dbraw/zinc/01/70/96/539017096.db2.gz WOJZIAIFWDUDGB-SSDOTTSWSA-N 1 0 232.715 0.262 10 0 BCAERO CC(C)C[C@H]([NH3+])C(=O)N[C@H]1CCC[C@H](O)C1 ZINC000037001090 398298853 /nfs/dbraw/zinc/29/88/53/398298853.db2.gz XAKHLWNNBCWYLO-DCAQKATOSA-N 1 0 228.336 0.780 10 0 BCAERO CCN1CC[C@H]([NH2+]C[C@]2(OC)CCOC2)C1 ZINC000382041840 398300373 /nfs/dbraw/zinc/30/03/73/398300373.db2.gz ITCHAMWSEZMZDA-NWDGAFQWSA-N 1 0 228.336 0.476 10 0 BCAERO C[C@@H]([NH3+])CCNC(=O)c1cccc(N)c1 ZINC000309742672 342846043 /nfs/dbraw/zinc/84/60/43/342846043.db2.gz DQMCRSFYAKAHNM-MRVPVSSYSA-N 1 0 207.277 0.736 10 0 BCAERO COC(C)(C)CNC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000133464378 398311222 /nfs/dbraw/zinc/31/12/22/398311222.db2.gz AXKMUBDXRRDBAW-IUCAKERBSA-N 1 0 214.309 0.655 10 0 BCAERO CC(C)(C)OC(=O)[C@]1(O)CCC[NH2+]C1 ZINC000306882150 398302752 /nfs/dbraw/zinc/30/27/52/398302752.db2.gz MXLVOUWDASJJIU-JTQLQIEISA-N 1 0 201.266 0.443 10 0 BCAERO CC[N@@H+]1CCC[C@@H](NC(=O)N[C@@H](C)CO)C1 ZINC000359136787 342873983 /nfs/dbraw/zinc/87/39/83/342873983.db2.gz KZLQWUGZQMIBKB-VHSXEESVSA-N 1 0 229.324 0.151 10 0 BCAERO C[C@H]([NH3+])Cc1nc2c(c(=O)[nH]1)CSC2 ZINC000134654483 342875390 /nfs/dbraw/zinc/87/53/90/342875390.db2.gz AIUBZVPXNMFKRU-YFKPBYRVSA-N 1 0 211.290 0.406 10 0 BCAERO CO[C@H](C)[C@H](C)[NH2+][C@@H]1CCCNC1=O ZINC000133035277 398309507 /nfs/dbraw/zinc/30/95/07/398309507.db2.gz QXKZUAZOGXVHDP-DJLDLDEBSA-N 1 0 200.282 0.278 10 0 BCAERO O=C(CC[NH2+]C1CC1)N[C@H]1CCC[C@@H](O)C1 ZINC000037478443 488185711 /nfs/dbraw/zinc/18/57/11/488185711.db2.gz WNPAOYUWHPUVBT-WDEREUQCSA-N 1 0 226.320 0.548 10 0 BCAERO CN(c1nc(C[NH3+])cs1)[C@@H]1CCOC1 ZINC000134792316 342889098 /nfs/dbraw/zinc/88/90/98/342889098.db2.gz MSSIAZCCUSJAKJ-MRVPVSSYSA-N 1 0 213.306 0.827 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N1C[C@H](C)OC[C@@H]1C ZINC000036873304 342911977 /nfs/dbraw/zinc/91/19/77/342911977.db2.gz FPXXSHUHHHADSX-GUBZILKMSA-N 1 0 214.309 0.750 10 0 BCAERO CCOCCC(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000233716021 342912095 /nfs/dbraw/zinc/91/20/95/342912095.db2.gz SLKVZRZMUKAYBN-RKDXNWHRSA-N 1 0 200.282 0.219 10 0 BCAERO [NH3+][C@H]1CCN(CC=C(Cl)Cl)C1=O ZINC000407350359 342924084 /nfs/dbraw/zinc/92/40/84/342924084.db2.gz HGLGNDBVMPSNPR-YFKPBYRVSA-N 1 0 209.076 0.865 10 0 BCAERO CC[C@@H](O)CCNC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000233904276 342916359 /nfs/dbraw/zinc/91/63/59/342916359.db2.gz HRRSKAUOUNSOHQ-OPRDCNLKSA-N 1 0 214.309 0.119 10 0 BCAERO CCc1nnsc1C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000234177435 342917287 /nfs/dbraw/zinc/91/72/87/342917287.db2.gz NEHHUYSHEAJUGA-RNFRBKRXSA-N 1 0 240.332 0.520 10 0 BCAERO C[NH2+][C@H](C)CNC(=O)Cc1ccncc1 ZINC000389392392 398324818 /nfs/dbraw/zinc/32/48/18/398324818.db2.gz XAONXVMWIMMGGQ-SECBINFHSA-N 1 0 207.277 0.348 10 0 BCAERO C[C@@H](NC(=O)C[NH2+]C1CC1)[C@H]1CCCO1 ZINC000037476972 398327605 /nfs/dbraw/zinc/32/76/05/398327605.db2.gz DAUBWIIQEWSFNY-PSASIEDQSA-N 1 0 212.293 0.422 10 0 BCAERO CCOC(=O)C[C@H](NC(N)=[NH2+])C(F)(F)F ZINC000575433773 398327832 /nfs/dbraw/zinc/32/78/32/398327832.db2.gz IDZRYFXNWBNZQO-BYPYZUCNSA-N 1 0 227.186 0.354 10 0 BCAERO C[NH+](C)[C@H]1CCN(C(=O)Nc2cccnn2)C1 ZINC000152045513 398327834 /nfs/dbraw/zinc/32/78/34/398327834.db2.gz FGAWBYLWVXXJLJ-VIFPVBQESA-N 1 0 235.291 0.644 10 0 BCAERO O=C(C[NH2+]C1CC1)NCC[C@H]1CCCO1 ZINC000038097071 398336043 /nfs/dbraw/zinc/33/60/43/398336043.db2.gz QAEPTSDDBQOQAE-SNVBAGLBSA-N 1 0 212.293 0.424 10 0 BCAERO C[C@H]([NH3+])CC(=O)NCC[C@@H]1CCCO1 ZINC000038097063 398336055 /nfs/dbraw/zinc/33/60/55/398336055.db2.gz IALPUTXUSPAKFW-IUCAKERBSA-N 1 0 200.282 0.409 10 0 BCAERO CC[C@H]([NH3+])C(=O)NCC[C@@H]1CCCO1 ZINC000038097049 398336077 /nfs/dbraw/zinc/33/60/77/398336077.db2.gz QZLXOABSXAFXNW-IUCAKERBSA-N 1 0 200.282 0.409 10 0 BCAERO C[NH2+]CCCC(=O)NCC[C@@H]1CCCO1 ZINC000038097083 398336086 /nfs/dbraw/zinc/33/60/86/398336086.db2.gz HAAOAQPTZNLGOB-JTQLQIEISA-N 1 0 214.309 0.671 10 0 BCAERO COC[C@H]1CCCN(C(=O)[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000234762803 342940636 /nfs/dbraw/zinc/94/06/36/342940636.db2.gz AMFUWFHWQPKXEL-GRYCIOLGSA-N 1 0 240.347 0.727 10 0 BCAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]CCc1ccccn1 ZINC000392850504 398335655 /nfs/dbraw/zinc/33/56/55/398335655.db2.gz DXSXZQRWCIYFPB-JQWIXIFHSA-N 1 0 233.315 0.881 10 0 BCAERO C[C@H]([NH2+][C@@H]1C[C@H]1CO)C(C)(C)n1cncn1 ZINC000381292013 398339970 /nfs/dbraw/zinc/33/99/70/398339970.db2.gz DNSBBAVDJHEQKT-LPEHRKFASA-N 1 0 224.308 0.372 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N(C)[C@H](C)c1ccncc1 ZINC000159764425 398342411 /nfs/dbraw/zinc/34/24/11/398342411.db2.gz ZBAJGCCYIDMBEZ-MWLCHTKSSA-N 1 0 237.303 0.575 10 0 BCAERO CC(C)Cn1ncnc1CN1C[C@H](C)[C@H]([NH3+])C1 ZINC000261541597 534927940 /nfs/dbraw/zinc/92/79/40/534927940.db2.gz KRXMBWJYVNIFPY-WDEREUQCSA-N 1 0 237.351 0.713 10 0 BCAERO [NH3+][C@@H](CCO)c1ccc2c(c1)OCCO2 ZINC000019784056 342957429 /nfs/dbraw/zinc/95/74/29/342957429.db2.gz GSARZDODCJYUSI-VIFPVBQESA-N 1 0 209.245 0.840 10 0 BCAERO COc1cc(C)nc(N2CC[C@H]([C@H](C)[NH3+])C2)n1 ZINC000252794960 536699778 /nfs/dbraw/zinc/69/97/78/536699778.db2.gz ZRHNPRYUZRQUDH-UWVGGRQHSA-N 1 0 236.319 0.967 10 0 BCAERO CC(C)(O)C[NH2+]C[C@H]1CCCCS1(=O)=O ZINC000576817520 365692616 /nfs/dbraw/zinc/69/26/16/365692616.db2.gz LDKGVDMVAINMHU-SECBINFHSA-N 1 0 235.349 0.314 10 0 BCAERO CO[C@H]1CCC[C@H]1CNC(=O)C1C[NH2+]C1 ZINC000261539251 536726264 /nfs/dbraw/zinc/72/62/64/536726264.db2.gz BXPFGDCMHOXVOC-WPRPVWTQSA-N 1 0 212.293 0.137 10 0 BCAERO CC(C)(C)[C@H](O)C[NH2+]CC(=O)N1CCCCC1 ZINC000306023935 259337317 /nfs/dbraw/zinc/33/73/17/259337317.db2.gz MLBPZFPVEDSNKU-LLVKDONJSA-N 1 0 242.363 0.996 10 0 BCAERO Cc1ncoc1C(=O)N1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000235326503 343010591 /nfs/dbraw/zinc/01/05/91/343010591.db2.gz OOUIKVFWQLQTPL-SVRRBLITSA-N 1 0 209.249 0.402 10 0 BCAERO C[C@H](C[S@](C)=O)[NH2+]C[C@H](O)C(C)(C)C ZINC000308560942 259340010 /nfs/dbraw/zinc/34/00/10/259340010.db2.gz VZLHRBLUQMOFFY-ITMYJUKJSA-N 1 0 221.366 0.750 10 0 BCAERO Cc1cnn(CCNC(=O)[C@H]2CC[NH2+][C@H]2C)c1 ZINC000235314531 343009723 /nfs/dbraw/zinc/00/97/23/343009723.db2.gz VFMXMCKMDFXYHI-QWRGUYRKSA-N 1 0 236.319 0.306 10 0 BCAERO CN1CC[C@H]([NH2+]C[C@@H](O)C(C)(C)C)C1=O ZINC000308797074 259340900 /nfs/dbraw/zinc/34/09/00/259340900.db2.gz KUCBFCGSQVWLGY-DTWKUNHWSA-N 1 0 214.309 0.214 10 0 BCAERO Cc1nc(C)c(C)c(N2CC[C@@H]([NH3+])C2)n1 ZINC000045954673 343012482 /nfs/dbraw/zinc/01/24/82/343012482.db2.gz GGQGXMGWLCSEND-SNVBAGLBSA-N 1 0 206.293 0.939 10 0 BCAERO Cc1nc(C)c(C)c(N2CC[C@H]([NH3+])C2)n1 ZINC000045954670 343012525 /nfs/dbraw/zinc/01/25/25/343012525.db2.gz GGQGXMGWLCSEND-JTQLQIEISA-N 1 0 206.293 0.939 10 0 BCAERO COc1ccc([C@@H](C)[NH2+]CC(N)=O)cc1OC ZINC000022163784 343042531 /nfs/dbraw/zinc/04/25/31/343042531.db2.gz CZVTUUORPXRNFH-MRVPVSSYSA-N 1 0 238.287 0.840 10 0 BCAERO Cc1c(C(=O)N2C[C@H](C)[C@H]([NH3+])C2)cnn1C ZINC000235681801 343055357 /nfs/dbraw/zinc/05/53/57/343055357.db2.gz RCEXBJDPLNZRJT-OIBJUYFYSA-N 1 0 222.292 0.148 10 0 BCAERO [NH3+][C@H]1CCC2(C[C@@H]1n1cccn1)OCCO2 ZINC000023066200 343058179 /nfs/dbraw/zinc/05/81/79/343058179.db2.gz NRHPOGFPKHOARC-UWVGGRQHSA-N 1 0 223.276 0.679 10 0 BCAERO NC(=S)C[N@@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000043425440 343066889 /nfs/dbraw/zinc/06/68/89/343066889.db2.gz KSNTXMSSLCAQSC-JGVFFNPUSA-N 1 0 200.307 0.526 10 0 BCAERO Cc1cnn(CCNC(=O)C[C@H]2CCC[NH2+]2)c1 ZINC000235937368 343067388 /nfs/dbraw/zinc/06/73/88/343067388.db2.gz UJWJANKECMDHHS-LLVKDONJSA-N 1 0 236.319 0.450 10 0 BCAERO C[C@@H](O)CNC(=O)[C@@]1(C)CCC[C@@H]1[NH3+] ZINC000134929836 343079257 /nfs/dbraw/zinc/07/92/57/343079257.db2.gz QPLFHOJLYVBVDD-WEDXCCLWSA-N 1 0 200.282 0.001 10 0 BCAERO CC(C)[S@](=O)N1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC000306663850 362020883 /nfs/dbraw/zinc/02/08/83/362020883.db2.gz RGJACWFUHOARCO-ZDMBXUJBSA-N 1 0 204.339 0.728 10 0 BCAERO C[C@@H]([NH3+])C(=O)NC[C@H]1CCCSC1 ZINC000306668311 362024971 /nfs/dbraw/zinc/02/49/71/362024971.db2.gz FOYQGWGGROUTEK-HTQZYQBOSA-N 1 0 202.323 0.593 10 0 BCAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)c1ncnn1C ZINC000306668956 362027669 /nfs/dbraw/zinc/02/76/69/362027669.db2.gz GIONWXHHWAMBJH-YUMQZZPRSA-N 1 0 208.265 0.386 10 0 BCAERO C[N@@H+]1CC[C@@H](Oc2nc(CO)cs2)C1 ZINC000306669860 362031847 /nfs/dbraw/zinc/03/18/47/362031847.db2.gz GXCRRJRAMWSJFI-MRVPVSSYSA-N 1 0 214.290 0.718 10 0 BCAERO c1c([C@@H]2C[NH2+]CCO2)nc2ccccn12 ZINC000082914640 343074943 /nfs/dbraw/zinc/07/49/43/343074943.db2.gz MQODJTKXWKHERS-JTQLQIEISA-N 1 0 203.245 0.995 10 0 BCAERO CCN1CCO[C@@H](C[NH3+])[C@@H]1c1ccnn1C ZINC000164786812 343075966 /nfs/dbraw/zinc/07/59/66/343075966.db2.gz JLOMQUHWLWSDDO-QWRGUYRKSA-N 1 0 224.308 0.141 10 0 BCAERO COC(=O)c1cnn(C2CC[NH+](C)CC2)c1 ZINC000260462788 343077552 /nfs/dbraw/zinc/07/75/52/343077552.db2.gz RSUPTRSNCTVUIL-UHFFFAOYSA-N 1 0 223.276 0.936 10 0 BCAERO [NH3+]C(CO)(CO)[C@H]1CCc2cc(O)ccc2C1 ZINC000142534048 343110361 /nfs/dbraw/zinc/11/03/61/343110361.db2.gz WVKUZTWBLWKFCL-NSHDSACASA-N 1 0 237.299 0.179 10 0 BCAERO O=C(N[C@@H]1CCC[C@H](O)C1)[C@H]1CC[NH2+]C1 ZINC000250677145 343123344 /nfs/dbraw/zinc/12/33/44/343123344.db2.gz WWGAIBPYRKYLQQ-AEJSXWLSSA-N 1 0 212.293 0.016 10 0 BCAERO COc1cc2c(cc1OC)C(=[NH2+])NCC2 ZINC000039398026 343125281 /nfs/dbraw/zinc/12/52/81/343125281.db2.gz JVPUZUTVEGLNSW-UHFFFAOYSA-N 1 0 206.245 0.965 10 0 BCAERO CC[C@H](C(N)=S)[N@@H+]1CCCN(C)CC1 ZINC000043539591 343132255 /nfs/dbraw/zinc/13/22/55/343132255.db2.gz MNIGOWDWABUZIJ-SECBINFHSA-N 1 0 215.366 0.689 10 0 BCAERO CC(C)(C(=O)Nc1cccnc1)N1CC[NH2+]CC1 ZINC000131190228 343183002 /nfs/dbraw/zinc/18/30/02/343183002.db2.gz CTUHIWRPCPNAKR-UHFFFAOYSA-N 1 0 248.330 0.704 10 0 BCAERO COC(=O)c1ccc(N[C@H](C)C[NH3+])nc1C ZINC000133915748 343186189 /nfs/dbraw/zinc/18/61/89/343186189.db2.gz IADIZNLREZKYHK-SSDOTTSWSA-N 1 0 223.276 0.936 10 0 BCAERO C[C@H]1CN2CCCC[C@@H]2CN1C(=O)C1([NH3+])CC1 ZINC000094447135 343155845 /nfs/dbraw/zinc/15/58/45/343155845.db2.gz URRDCOOUUWGDML-WDEREUQCSA-N 1 0 237.347 0.563 10 0 BCAERO C[N@@H+]1CCn2c(nnc2C(F)(F)F)C1 ZINC000039105520 343157050 /nfs/dbraw/zinc/15/70/50/343157050.db2.gz VPHMUTAGQKVKTG-UHFFFAOYSA-N 1 0 206.171 0.742 10 0 BCAERO COC(=O)c1ccc(N2CC[C@@H]([NH3+])C2)nc1C ZINC000124432834 343167891 /nfs/dbraw/zinc/16/78/91/343167891.db2.gz UHSSUTPYDJUGES-SECBINFHSA-N 1 0 235.287 0.714 10 0 BCAERO C[C@H](C[NH3+])N(C)c1ccc2nccnc2n1 ZINC000125497856 343173326 /nfs/dbraw/zinc/17/33/26/343173326.db2.gz QDDLGTHRXWSVSR-MRVPVSSYSA-N 1 0 217.276 0.808 10 0 BCAERO C[NH+](C)[C@H]1CCN(C(=O)CC2([NH3+])CC2)C1 ZINC000398069786 488206969 /nfs/dbraw/zinc/20/69/69/488206969.db2.gz LNMXLVBUCRPMIB-VIFPVBQESA-N 1 0 211.309 0.030 10 0 BCAERO C[C@@H]([NH3+])C[C@H](C)Nc1ccc(C(N)=O)nn1 ZINC000165743990 343212175 /nfs/dbraw/zinc/21/21/75/343212175.db2.gz JFXPOOSLBPDPAK-RQJHMYQMSA-N 1 0 223.280 0.113 10 0 BCAERO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)[C@@H]2CCCO2)C1 ZINC000166275459 343212696 /nfs/dbraw/zinc/21/26/96/343212696.db2.gz KYCCFNASJDAROD-BBBLOLIVSA-N 1 0 212.293 0.361 10 0 BCAERO Cc1nsc(NC(=O)[C@H]2CC[C@H]([NH3+])C2)n1 ZINC000131794370 343186913 /nfs/dbraw/zinc/18/69/13/343186913.db2.gz GKPMMHYMQIKGLA-BQBZGAKWSA-N 1 0 226.305 0.912 10 0 BCAERO CN(C)c1ccc(C[NH2+]CCC(N)=O)cn1 ZINC000134216873 343193858 /nfs/dbraw/zinc/19/38/58/343193858.db2.gz ZQBTUQWUJUBYBC-UHFFFAOYSA-N 1 0 222.292 0.113 10 0 BCAERO CC(C)(C)CS(=O)(=O)NC[C@@H]1CC[NH2+]C1 ZINC000087655181 136282181 /nfs/dbraw/zinc/28/21/81/136282181.db2.gz ULQDWXURSQCADT-SECBINFHSA-N 1 0 234.365 0.561 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N(C)C1CCC(C)CC1 ZINC000088003205 136282705 /nfs/dbraw/zinc/28/27/05/136282705.db2.gz USTSYBZDJTWVJW-VQXHTEKXSA-N 1 0 228.336 0.997 10 0 BCAERO CCC[C@@H](CC)NC(=O)[C@H]([NH3+])COC ZINC000088004025 136282827 /nfs/dbraw/zinc/28/28/27/136282827.db2.gz ORJUKYPAOMQEGA-RKDXNWHRSA-N 1 0 202.298 0.655 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N1Cc2ccccc2C1 ZINC000088004048 136283405 /nfs/dbraw/zinc/28/34/05/136283405.db2.gz LQPMNZHUTWOWOZ-LLVKDONJSA-N 1 0 220.272 0.503 10 0 BCAERO CC[C@@H](NC(=O)C[C@@H]1CCC[NH2+]C1)C(=O)OC ZINC000310087704 343262971 /nfs/dbraw/zinc/26/29/71/343262971.db2.gz BQWPDDBKTSIBIA-VHSXEESVSA-N 1 0 242.319 0.444 10 0 BCAERO O=S(=O)(C1CCCC1)[C@H]1CC[NH2+]C1 ZINC000220010745 343362680 /nfs/dbraw/zinc/36/26/80/343362680.db2.gz NECWSJCOWCYARB-VIFPVBQESA-N 1 0 203.307 0.706 10 0 BCAERO [NH3+][C@H]1CCCC[C@@H]1NC(=O)C1CCOCC1 ZINC000038048642 343367833 /nfs/dbraw/zinc/36/78/33/343367833.db2.gz DFWUNJLYEKKHOO-QWRGUYRKSA-N 1 0 226.320 0.799 10 0 BCAERO Cn1ccnc1[C@@](O)(C[NH3+])C(F)(F)F ZINC000038342164 343374208 /nfs/dbraw/zinc/37/42/08/343374208.db2.gz MRBXBAOOLCXJNF-LURJTMIESA-N 1 0 209.171 0.129 10 0 BCAERO C[C@H](NC(=O)CC1([NH3+])CC1)[C@H]1CCCO1 ZINC000398164887 488213264 /nfs/dbraw/zinc/21/32/64/488213264.db2.gz JDZWPIFEJCLIEB-DTWKUNHWSA-N 1 0 212.293 0.552 10 0 BCAERO CN1CCC([NH2+]C2CCCC2)(C(N)=O)CC1 ZINC000037408016 343344536 /nfs/dbraw/zinc/34/45/36/343344536.db2.gz KSZPAAJYYPTYIQ-UHFFFAOYSA-N 1 0 225.336 0.468 10 0 BCAERO CCc1cnc(CN2C[C@@H]([NH3+])C2=O)s1 ZINC000234183465 343350411 /nfs/dbraw/zinc/35/04/11/343350411.db2.gz CDPATSWACBBFET-SSDOTTSWSA-N 1 0 211.290 0.375 10 0 BCAERO C[C@@H]1SCCC[C@]12OC[C@H](C[NH3+])O2 ZINC000134992499 343352170 /nfs/dbraw/zinc/35/21/70/343352170.db2.gz JRACFEHAEJQBLE-XHNCKOQMSA-N 1 0 203.307 0.972 10 0 BCAERO C[C@@H]1SCCC[C@@]12OC[C@H](C[NH3+])O2 ZINC000134992462 343352171 /nfs/dbraw/zinc/35/21/71/343352171.db2.gz JRACFEHAEJQBLE-CIUDSAMLSA-N 1 0 203.307 0.972 10 0 BCAERO CC[C@@H]1C[C@@]2(CCO1)OC[C@H](C[NH3+])O2 ZINC000134991936 343352441 /nfs/dbraw/zinc/35/24/41/343352441.db2.gz BKGVAYFDXKWANK-UTLUCORTSA-N 1 0 201.266 0.646 10 0 BCAERO [NH3+][C@@H]1CCC2(C[C@@H]1OC1COC1)OCCO2 ZINC000165453640 343353001 /nfs/dbraw/zinc/35/30/01/343353001.db2.gz GWRFCUCIHMUQLF-ZJUUUORDSA-N 1 0 229.276 0.025 10 0 BCAERO CCc1c(O)c(=O)ccn1CC[NH+](C)C ZINC000039096982 343382313 /nfs/dbraw/zinc/38/23/13/343382313.db2.gz HPTHSRIGMSQABM-UHFFFAOYSA-N 1 0 210.277 0.678 10 0 BCAERO [NH3+][C@H]1CCCN(CCO[C@H]2CCCCO2)C1 ZINC000042188334 343430999 /nfs/dbraw/zinc/43/09/99/343430999.db2.gz BDAQYMXTRHAICD-RYUDHWBXSA-N 1 0 228.336 0.953 10 0 BCAERO CNC(=O)CCN(C)C(=O)CC[C@H]1CCC[NH2+]1 ZINC000261542449 136374501 /nfs/dbraw/zinc/37/45/01/136374501.db2.gz CEIWKNNYMZEPIT-SNVBAGLBSA-N 1 0 241.335 0.113 10 0 BCAERO O=C(CC[C@H]1CCC[NH2+]1)N1CCc2n[nH]cc2C1 ZINC000335655256 136376272 /nfs/dbraw/zinc/37/62/72/136376272.db2.gz BEHXMVQXCOFMRS-LLVKDONJSA-N 1 0 248.330 0.827 10 0 BCAERO [NH3+][C@@H](C(=O)N[C@H]1CCCOC1)C1CCC1 ZINC000335654668 136376363 /nfs/dbraw/zinc/37/63/63/136376363.db2.gz YKRFDYKCNPKQNA-VHSXEESVSA-N 1 0 212.293 0.409 10 0 BCAERO CCC1(C)CCN(C(=O)[C@@H]2C[C@H](O)C[NH2+]2)CC1 ZINC000062957927 168444955 /nfs/dbraw/zinc/44/49/55/168444955.db2.gz IGDUHNWRPWJJJE-QWRGUYRKSA-N 1 0 240.347 0.748 10 0 BCAERO COC(=O)CN1C[C@H]2CCCC[N@@H+]2C[C@H]1C ZINC000082725501 343461071 /nfs/dbraw/zinc/46/10/71/343461071.db2.gz ZQZLPVNGZRCIAX-GHMZBOCLSA-N 1 0 226.320 0.718 10 0 BCAERO [NH3+]CCN1CCOCC[C@@H]1c1cnco1 ZINC000616658996 343532333 /nfs/dbraw/zinc/53/23/33/343532333.db2.gz XFLYIMZLFXLNOS-SECBINFHSA-N 1 0 211.265 0.397 10 0 BCAERO CC(C)(C)OC(=O)N1CCOCC[C@H]1C[NH3+] ZINC000616657589 343533407 /nfs/dbraw/zinc/53/34/07/343533407.db2.gz DYFYGHJFUGMDRC-VIFPVBQESA-N 1 0 230.308 0.971 10 0 BCAERO COC(=O)[C@H]1CCc2ccccc2N1CC[NH3+] ZINC000616667715 343534999 /nfs/dbraw/zinc/53/49/99/343534999.db2.gz CFEARSARKKBKOW-GFCCVEGCSA-N 1 0 234.299 0.940 10 0 BCAERO [NH3+]CCN1CCCO[C@H](c2ccncc2)C1 ZINC000616680206 343536572 /nfs/dbraw/zinc/53/65/72/343536572.db2.gz PFEYVLJFVWSCKU-LBPRGKRZSA-N 1 0 221.304 0.804 10 0 BCAERO COC[C@@H]([NH2+]C[C@@H]1CNC(=O)O1)C(C)C ZINC000379950967 365761508 /nfs/dbraw/zinc/76/15/08/365761508.db2.gz SYJFTVYJCSDOLI-RKDXNWHRSA-N 1 0 216.281 0.355 10 0 BCAERO COC[C@H]([NH2+]C[C@H]1CNC(=O)O1)C(C)C ZINC000379950960 365761885 /nfs/dbraw/zinc/76/18/85/365761885.db2.gz SYJFTVYJCSDOLI-IUCAKERBSA-N 1 0 216.281 0.355 10 0 BCAERO CCn1cc([C@H](C)[NH2+][C@H]2CCOC[C@H]2O)cn1 ZINC000624236676 343582755 /nfs/dbraw/zinc/58/27/55/343582755.db2.gz HUMAZLCDRGBITC-ZMLRMANQSA-N 1 0 239.319 0.703 10 0 BCAERO COC[C@@H](CCO)[NH2+]C[C@@H](O)C(C)(C)C ZINC000379977504 365773525 /nfs/dbraw/zinc/77/35/25/365773525.db2.gz RBBFKVDKAIGZKE-NXEZZACHSA-N 1 0 219.325 0.380 10 0 BCAERO COc1cc(N2CC[NH2+]CC2)ccc1N ZINC000082523659 259365950 /nfs/dbraw/zinc/36/59/50/259365950.db2.gz BKPFXMIOYQJWDE-UHFFFAOYSA-N 1 0 207.277 0.687 10 0 BCAERO NC(=[NH2+])CSc1ncnc2[nH]cnc21 ZINC000051036579 343622075 /nfs/dbraw/zinc/62/20/75/343622075.db2.gz ZMNGVQVSIVWDCS-UHFFFAOYSA-N 1 0 208.250 0.381 10 0 BCAERO CCc1cnc(CN2C[C@H]([NH3+])C2=O)s1 ZINC000234184124 343620501 /nfs/dbraw/zinc/62/05/01/343620501.db2.gz CDPATSWACBBFET-ZETCQYMHSA-N 1 0 211.290 0.375 10 0 BCAERO O=C(N[C@H]1CCCC[NH2+]C1)N1CCCC1 ZINC000085961428 343607679 /nfs/dbraw/zinc/60/76/79/343607679.db2.gz OTVVKRODZVGUMT-JTQLQIEISA-N 1 0 211.309 0.934 10 0 BCAERO CC(C)Cc1nc(CC2C[NH2+]C2)n(C)n1 ZINC000081767857 537789885 /nfs/dbraw/zinc/78/98/85/537789885.db2.gz SKJSUPTUNIITRM-UHFFFAOYSA-N 1 0 208.309 0.776 10 0 BCAERO c1cnc2nc(NC3C[NH2+]C3)ccc2n1 ZINC000087201274 343640379 /nfs/dbraw/zinc/64/03/79/343640379.db2.gz SYFPHHOUJXLFBV-UHFFFAOYSA-N 1 0 201.233 0.409 10 0 BCAERO [NH3+]CCCNc1ccc2nccnc2n1 ZINC000087200834 343640461 /nfs/dbraw/zinc/64/04/61/343640461.db2.gz JFWIOIZOMCHTJA-UHFFFAOYSA-N 1 0 203.249 0.786 10 0 BCAERO COC(=O)CCN1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000379800919 343629181 /nfs/dbraw/zinc/62/91/81/343629181.db2.gz MEHMSFDINSWKKK-UWVGGRQHSA-N 1 0 212.293 0.233 10 0 BCAERO C[C@H](C[N@@H+]1CC[C@@H](C)[C@H](O)C1)C(N)=S ZINC000299901048 343629249 /nfs/dbraw/zinc/62/92/49/343629249.db2.gz ALKGIJSOCKSMLW-IWSPIJDZSA-N 1 0 216.350 0.611 10 0 BCAERO O=S1(=O)CC[C@@]2(C1)[NH2+]CCc1ccsc12 ZINC000712590275 537795643 /nfs/dbraw/zinc/79/56/43/537795643.db2.gz FYQZFGVZPSCVNX-JTQLQIEISA-N 1 0 243.353 0.908 10 0 BCAERO COCCCC(=O)N1CCC[C@@H]1C[NH3+] ZINC000087438719 343649331 /nfs/dbraw/zinc/64/93/31/343649331.db2.gz DZPRYRIICQXSGW-SECBINFHSA-N 1 0 200.282 0.363 10 0 BCAERO C[C@H](NC(=O)C1([NH3+])CCC1)[C@H]1CCCO1 ZINC000088050335 343698278 /nfs/dbraw/zinc/69/82/78/343698278.db2.gz BZMWXKNQNSWMTA-DTWKUNHWSA-N 1 0 212.293 0.552 10 0 BCAERO CC[C@H]([NH3+])CNC(=O)[C@@H]1CC[C@H](C)O1 ZINC000088142126 343709033 /nfs/dbraw/zinc/70/90/33/343709033.db2.gz AKPWNPSKJPQFPF-CIUDSAMLSA-N 1 0 200.282 0.407 10 0 BCAERO COC[C@@H]([NH3+])C(=O)NCc1sccc1C ZINC000088005050 343688360 /nfs/dbraw/zinc/68/83/60/343688360.db2.gz QGUWWTRHUDDACR-MRVPVSSYSA-N 1 0 228.317 0.646 10 0 BCAERO COC[C@@H]([NH3+])C(=O)NCCc1cccs1 ZINC000088002385 343689562 /nfs/dbraw/zinc/68/95/62/343689562.db2.gz HSRULRALOWPANK-SECBINFHSA-N 1 0 228.317 0.381 10 0 BCAERO CCOC(=O)C[C@@H]([NH3+])[C@H]1CCCOC1 ZINC000082584645 537805827 /nfs/dbraw/zinc/80/58/27/537805827.db2.gz KJPSZCLGCXVTRS-DTWKUNHWSA-N 1 0 201.266 0.694 10 0 BCAERO CC[C@H](NC(=O)[C@H]1CCC[C@H]([NH3+])C1)C(=O)OC ZINC000261556144 349849947 /nfs/dbraw/zinc/84/99/47/349849947.db2.gz QJRQWZRYWQMPDS-GUBZILKMSA-N 1 0 242.319 0.572 10 0 BCAERO CCNC(=O)CCCC(=O)NCC[C@@H](C)[NH3+] ZINC000178690436 346962988 /nfs/dbraw/zinc/96/29/88/346962988.db2.gz BEJKGEGMMBLKJK-SECBINFHSA-N 1 0 229.324 0.146 10 0 BCAERO CC[C@H](C)[C@H](O)CNC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000262605171 349858543 /nfs/dbraw/zinc/85/85/43/349858543.db2.gz ARSDLZYKRWZDIZ-UKKRHICBSA-N 1 0 228.336 0.637 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N[C@@H](C)CO[C@H]1CCOC1 ZINC000262119814 349853019 /nfs/dbraw/zinc/85/30/19/349853019.db2.gz JPTLZPAKKGFOBW-DCAQKATOSA-N 1 0 244.335 0.424 10 0 BCAERO CCCCOC[C@H](O)C[N@@H+]1CC[C@](C)(O)C1 ZINC000309122593 346969074 /nfs/dbraw/zinc/96/90/74/346969074.db2.gz QTGHLXDDUVQWOU-NEPJUHHUSA-N 1 0 231.336 0.621 10 0 BCAERO [NH3+]CC(=O)[C@@H]1CCO[C@@]2(CCSC2)C1 ZINC000167761994 346965758 /nfs/dbraw/zinc/96/57/58/346965758.db2.gz GRNIRPRDUBUTRO-SCZZXKLOSA-N 1 0 215.318 0.817 10 0 BCAERO [NH2+]=C(N[C@H]1CCS(=O)(=O)C1)C1CC1 ZINC000062988978 349868126 /nfs/dbraw/zinc/86/81/26/349868126.db2.gz DKGPCPSIYXTAME-ZETCQYMHSA-N 1 0 202.279 0.150 10 0 BCAERO [NH3+][C@@H]1CCC2(C[C@H]1n1cncn1)OCCO2 ZINC000023071976 344038645 /nfs/dbraw/zinc/03/86/45/344038645.db2.gz QYKVNQUSVUUAKR-RKDXNWHRSA-N 1 0 224.264 0.074 10 0 BCAERO Cc1ccc(CNC(=O)[C@H](C)C[NH3+])n1C ZINC000054338004 178596634 /nfs/dbraw/zinc/59/66/34/178596634.db2.gz MSYFUNRJQCLSQJ-MRVPVSSYSA-N 1 0 209.293 0.545 10 0 BCAERO Cc1ccc(CNC(=O)[C@H]2CCC[NH2+]2)n1C ZINC000035219392 178597329 /nfs/dbraw/zinc/59/73/29/178597329.db2.gz MWUSMOCYLHDKMY-LLVKDONJSA-N 1 0 221.304 0.702 10 0 BCAERO Cc1cccc([C@H](C)[NH2+]CC(=O)NC(N)=O)c1 ZINC000160250852 323064430 /nfs/dbraw/zinc/06/44/30/323064430.db2.gz ZWQVIDSNMGZFDF-VIFPVBQESA-N 1 0 235.287 0.841 10 0 BCAERO Cn1nccc1[C@](O)(C[NH3+])C(F)(F)F ZINC000069021627 343931374 /nfs/dbraw/zinc/93/13/74/343931374.db2.gz XKYYJZNREMASNA-ZCFIWIBFSA-N 1 0 209.171 0.129 10 0 BCAERO CC[N@@H+]1C[C@@H](C)N(C(=O)C2C[NH2+]C2)C[C@@H]1C ZINC000335894935 344045362 /nfs/dbraw/zinc/04/53/62/344045362.db2.gz DZGFTYVZMJAFKM-VHSXEESVSA-N 1 0 225.336 0.147 10 0 BCAERO [NH3+]Cc1nnnn1-c1ccsc1Cl ZINC000307635028 343955890 /nfs/dbraw/zinc/95/58/90/343955890.db2.gz QZHTVXRVQQSVSR-UHFFFAOYSA-N 1 0 215.669 0.836 10 0 BCAERO [NH3+]C[C@@H](O)c1cccc2c1OCC(=O)N2 ZINC000082943163 362280879 /nfs/dbraw/zinc/28/08/79/362280879.db2.gz JRUDXCKJHUGQLC-MRVPVSSYSA-N 1 0 208.217 0.010 10 0 BCAERO [NH3+]C[C@H](O)c1cccc2c1OCC(=O)N2 ZINC000082943165 362281233 /nfs/dbraw/zinc/28/12/33/362281233.db2.gz JRUDXCKJHUGQLC-QMMMGPOBSA-N 1 0 208.217 0.010 10 0 BCAERO C[NH2+][C@H](C)c1c(Br)nnn1C ZINC000234428629 343965772 /nfs/dbraw/zinc/96/57/72/343965772.db2.gz ADKPDPRZASDXFE-SCSAIBSYSA-N 1 0 219.086 0.858 10 0 BCAERO C[NH2+]CCCC(=O)NC[C@@H]1CCCC[C@@H]1O ZINC000082995077 133514201 /nfs/dbraw/zinc/51/42/01/133514201.db2.gz NHFOJNIDNSEESO-QWRGUYRKSA-N 1 0 228.336 0.653 10 0 BCAERO Cn1cc(NC(=O)[C@]23CCC[C@H]2C[NH2+]C3)cn1 ZINC000634741723 344163509 /nfs/dbraw/zinc/16/35/09/344163509.db2.gz MJCFBKGHQHQXJE-CABZTGNLSA-N 1 0 234.303 0.748 10 0 BCAERO CC[C@H]1CC[NH2+]C[C@@H]1NC(=O)COC ZINC000616569092 344169729 /nfs/dbraw/zinc/16/97/29/344169729.db2.gz GEDBFFHELBWERV-IUCAKERBSA-N 1 0 200.282 0.137 10 0 BCAERO [NH3+][C@H]1CCCN(C(=O)[C@]23CCC[C@H]2OCC3)C1 ZINC000634735453 344122113 /nfs/dbraw/zinc/12/21/13/344122113.db2.gz HOLLTUJSFUNNQQ-LOWVWBTDSA-N 1 0 238.331 0.895 10 0 BCAERO O=C(N1CCCC1)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634735535 344123720 /nfs/dbraw/zinc/12/37/20/344123720.db2.gz JPWKASHDPLJBAW-JQWIXIFHSA-N 1 0 208.305 0.999 10 0 BCAERO CCOCCCNC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634736663 344127418 /nfs/dbraw/zinc/12/74/18/344127418.db2.gz VJHRTDOLRBGCPG-AAEUAGOBSA-N 1 0 240.347 0.919 10 0 BCAERO O=C(N1CCSCC1)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634736828 344133960 /nfs/dbraw/zinc/13/39/60/344133960.db2.gz AXLHWSIXMVTQPF-JQWIXIFHSA-N 1 0 240.372 0.952 10 0 BCAERO CC[C@H](COC)NC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634737546 344136079 /nfs/dbraw/zinc/13/60/79/344136079.db2.gz UILWMZVDDCPRAH-LOWVWBTDSA-N 1 0 240.347 0.917 10 0 BCAERO [NH3+]CCNc1ncc2c(n1)CCSC2 ZINC000107211766 344162271 /nfs/dbraw/zinc/16/22/71/344162271.db2.gz BLHPUWZIDUFXKM-UHFFFAOYSA-N 1 0 210.306 0.637 10 0 BCAERO COCCCCNC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634741191 344163171 /nfs/dbraw/zinc/16/31/71/344163171.db2.gz VGOQBQMFRRDJCE-AAEUAGOBSA-N 1 0 240.347 0.919 10 0 BCAERO C[C@H](CCCO)NC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634755043 344211238 /nfs/dbraw/zinc/21/12/38/344211238.db2.gz PSYNNDIGCBCBNX-MDZLAQPJSA-N 1 0 240.347 0.653 10 0 BCAERO CO[C@H]1CCN(C(=O)[C@]23CCC[C@H]2C[NH2+]C3)C1 ZINC000634755178 344212012 /nfs/dbraw/zinc/21/20/12/344212012.db2.gz SXZFXTNDHKHPEV-GVXVVHGQSA-N 1 0 238.331 0.623 10 0 BCAERO Cn1nncc1C[NH2+]C[C@@H]1CCC[C@@H]1O ZINC000129786299 344215730 /nfs/dbraw/zinc/21/57/30/344215730.db2.gz RZXBUUQYKKELMN-WPRPVWTQSA-N 1 0 210.281 0.066 10 0 BCAERO CC(C)[C@H](O)C[C@H]1CN(C)CC[N@@H+]1C ZINC000149401204 347038252 /nfs/dbraw/zinc/03/82/52/347038252.db2.gz UHKYDXQTPUFZNH-WDEREUQCSA-N 1 0 200.326 0.639 10 0 BCAERO CC(C)NC(=O)N1C[C@H]([NH+](C)C)[C@@H](C)C1 ZINC000130381524 344221001 /nfs/dbraw/zinc/22/10/01/344221001.db2.gz RXPNRTCZRAGMID-UWVGGRQHSA-N 1 0 213.325 0.986 10 0 BCAERO COC(=O)/C=C/C(=O)N[C@H]1CC[C@@H]([NH3+])CC1 ZINC000616573903 344185584 /nfs/dbraw/zinc/18/55/84/344185584.db2.gz UUCWVCKTPWTZKV-CCABEVELSA-N 1 0 226.276 0.102 10 0 BCAERO CC(C)[C@@H](O)C[C@H]1CN(C)CC[N@@H+]1C ZINC000149401429 347038351 /nfs/dbraw/zinc/03/83/51/347038351.db2.gz UHKYDXQTPUFZNH-QWRGUYRKSA-N 1 0 200.326 0.639 10 0 BCAERO O=C([C@@H]1CC[NH2+]C1)N1CCO[C@H](C(F)F)CC1 ZINC000634752909 344205348 /nfs/dbraw/zinc/20/53/48/344205348.db2.gz VBFJRHKVHLZZPL-BDAKNGLRSA-N 1 0 248.273 0.479 10 0 BCAERO C[NH2+][C@@H]1CCC2(C[C@@H]1N(C)C1CC1)OCCO2 ZINC000043822785 344257445 /nfs/dbraw/zinc/25/74/45/344257445.db2.gz ZQFVRGNIQXCWBB-NEPJUHHUSA-N 1 0 240.347 0.964 10 0 BCAERO Cc1ncn(C[C@@H](C)[NH3+])c(=O)c1Br ZINC000222865036 344272245 /nfs/dbraw/zinc/27/22/45/344272245.db2.gz DVGZIQMLDYICIW-RXMQYKEDSA-N 1 0 246.108 0.661 10 0 BCAERO O=C([C@@H]1CSCC[NH2+]1)N1CC=CCC1 ZINC000166001633 344272391 /nfs/dbraw/zinc/27/23/91/344272391.db2.gz OBRZEVWYSJDPMX-VIFPVBQESA-N 1 0 212.318 0.480 10 0 BCAERO Cn1ccnc1CNC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634767917 344279705 /nfs/dbraw/zinc/27/97/05/344279705.db2.gz PHKOEYIEKMTSLW-GWCFXTLKSA-N 1 0 248.330 0.426 10 0 BCAERO O=C(NCc1ncc[nH]1)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634768219 344280251 /nfs/dbraw/zinc/28/02/51/344280251.db2.gz ATAXSYIGXGOQKZ-CABZTGNLSA-N 1 0 234.303 0.416 10 0 BCAERO C[C@H](CS(C)(=O)=O)[NH2+]C[C@@H](O)C(C)(C)C ZINC000132176662 344281467 /nfs/dbraw/zinc/28/14/67/344281467.db2.gz VYBAMICBAPHDHG-RKDXNWHRSA-N 1 0 237.365 0.416 10 0 BCAERO C[C@H](CS(C)(=O)=O)[NH2+]C[C@H](O)C(C)(C)C ZINC000132176233 344281498 /nfs/dbraw/zinc/28/14/98/344281498.db2.gz VYBAMICBAPHDHG-BDAKNGLRSA-N 1 0 237.365 0.416 10 0 BCAERO CC(C)OCCNC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634770288 344284700 /nfs/dbraw/zinc/28/47/00/344284700.db2.gz HBXYZVUBCTZWEN-AAEUAGOBSA-N 1 0 240.347 0.917 10 0 BCAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)[C@]12CCC[C@H]1OCC2 ZINC000634770673 344284755 /nfs/dbraw/zinc/28/47/55/344284755.db2.gz UDZOGZOPXMUXFO-UZWSLXQKSA-N 1 0 238.331 0.894 10 0 BCAERO O=C(NCCOCCF)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634771654 344287039 /nfs/dbraw/zinc/28/70/39/344287039.db2.gz CXGMEWXRNZSCDB-JQWIXIFHSA-N 1 0 244.310 0.478 10 0 BCAERO O=C(NC/C=C/CO)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634771995 344287469 /nfs/dbraw/zinc/28/74/69/344287469.db2.gz QTXCVPPZTPHOFD-INISDOFMSA-N 1 0 224.304 0.041 10 0 BCAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N1C[C@@H]2COC[C@@H]2C1 ZINC000634773597 344292002 /nfs/dbraw/zinc/29/20/02/344292002.db2.gz JMBBUTRMRZIRKU-YFKTTZPYSA-N 1 0 238.331 0.479 10 0 BCAERO C[C@H]1[NH2+]CCC[C@H]1C(=O)N1C[C@@H]2COC[C@@H]2C1 ZINC000634773595 344292262 /nfs/dbraw/zinc/29/22/62/344292262.db2.gz JMBBUTRMRZIRKU-WISYIIOYSA-N 1 0 238.331 0.479 10 0 BCAERO O=C(C[C@H]1CCC[NH2+]C1)N1C[C@@H]2COC[C@@H]2C1 ZINC000634773841 344292903 /nfs/dbraw/zinc/29/29/03/344292903.db2.gz SMGMQJKKFDESRS-UTUOFQBUSA-N 1 0 238.331 0.481 10 0 BCAERO [NH3+][C@H]1CC[C@H](C(=O)N2C[C@@H]3COC[C@@H]3C2)C1 ZINC000634774068 344294143 /nfs/dbraw/zinc/29/41/43/344294143.db2.gz BJYNCZUZUNTVEC-MMWGEVLESA-N 1 0 224.304 0.219 10 0 BCAERO [NH3+]C1CCC(C(=O)N2C[C@@H]3COC[C@@H]3C2)CC1 ZINC000634774098 344294207 /nfs/dbraw/zinc/29/42/07/344294207.db2.gz CIDQZUIMJNNSFJ-WSVSKBAQSA-N 1 0 238.331 0.609 10 0 BCAERO [NH3+][C@H]1CC[C@@H](C(=O)N2C[C@@H]3COC[C@@H]3C2)C1 ZINC000634774070 344294242 /nfs/dbraw/zinc/29/42/42/344294242.db2.gz BJYNCZUZUNTVEC-ZNSHCXBVSA-N 1 0 224.304 0.219 10 0 BCAERO Cc1ccc(Cc2nnnn2CC[NH3+])cc1 ZINC000051753087 178655393 /nfs/dbraw/zinc/65/53/93/178655393.db2.gz JREYAENQBVOKNV-UHFFFAOYSA-N 1 0 217.276 0.531 10 0 BCAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cn[nH]n1 ZINC000093220908 344312300 /nfs/dbraw/zinc/31/23/00/344312300.db2.gz AIDNNBKZPDOMFA-SECBINFHSA-N 1 0 237.307 0.361 10 0 BCAERO CCN(C)C(=O)[C@H](C)NC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000300018490 344365046 /nfs/dbraw/zinc/36/50/46/344365046.db2.gz KKWOZHKPUYVUCD-AEJSXWLSSA-N 1 0 241.335 0.097 10 0 BCAERO C[C@@H]1C[C@H]([NH2+]CC2(O)CCOCC2)[C@H](C)O1 ZINC000395259954 362383658 /nfs/dbraw/zinc/38/36/58/362383658.db2.gz VZZPQMQRVYBAST-VWYCJHECSA-N 1 0 229.320 0.683 10 0 BCAERO COc1cc(OC)nc(N2C[C@@H]([NH3+])C[C@@H]2C)n1 ZINC000385188141 344366405 /nfs/dbraw/zinc/36/64/05/344366405.db2.gz LOYFWGZRLXVOAK-YUMQZZPRSA-N 1 0 238.291 0.420 10 0 BCAERO O=C1NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2N1 ZINC000095629192 344354639 /nfs/dbraw/zinc/35/46/39/344354639.db2.gz MKRRMQOMXHPBQZ-GHMZBOCLSA-N 1 0 245.282 0.531 10 0 BCAERO [NH3+][C@@H](CC1OCCO1)C1CCOCC1 ZINC000236302026 344354769 /nfs/dbraw/zinc/35/47/69/344354769.db2.gz NWMVCJSIKNXMPN-VIFPVBQESA-N 1 0 201.266 0.503 10 0 BCAERO Nc1cccc(NC[C@@H](O)C(F)F)[nH+]1 ZINC000236341596 344355687 /nfs/dbraw/zinc/35/56/87/344355687.db2.gz OHXKIOKAEPCWBG-RXMQYKEDSA-N 1 0 203.192 0.702 10 0 BCAERO C[C@H]1C[C@@H]([NH3+])CN1c1nccn2cnnc12 ZINC000385178134 344360245 /nfs/dbraw/zinc/36/02/45/344360245.db2.gz HURZLCZPTFACKA-JGVFFNPUSA-N 1 0 218.264 0.050 10 0 BCAERO C[C@@H]1C[C@@H]([NH3+])CN1c1ccnc(N(C)C)n1 ZINC000385223550 344378402 /nfs/dbraw/zinc/37/84/02/344378402.db2.gz HIMXJLJNLUYUPV-RKDXNWHRSA-N 1 0 221.308 0.469 10 0 BCAERO CCOc1cncc(N2C[C@H]([NH3+])C[C@H]2C)n1 ZINC000385230295 344380221 /nfs/dbraw/zinc/38/02/21/344380221.db2.gz IYWIERMVHRHQEF-RKDXNWHRSA-N 1 0 222.292 0.801 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)N2C[C@H]([NH3+])[C@@H](C)C2)O1 ZINC000300047409 344380621 /nfs/dbraw/zinc/38/06/21/344380621.db2.gz DICJFTDVLAIDII-QCLAVDOMSA-N 1 0 212.293 0.360 10 0 BCAERO COC(=O)c1ccc(N2C[C@H](C)[C@H]([NH3+])C2)nc1C ZINC000300090463 344388796 /nfs/dbraw/zinc/38/87/96/344388796.db2.gz QXIVBGYAAHYSKC-GZMMTYOYSA-N 1 0 249.314 0.960 10 0 BCAERO CC(C)c1cc(N2CCO[C@@H]3C[NH2+]C[C@@H]32)ncn1 ZINC000634810673 344395445 /nfs/dbraw/zinc/39/54/45/344395445.db2.gz DWVFYWPRNFIFGV-NWDGAFQWSA-N 1 0 248.330 0.777 10 0 BCAERO COC(=O)[C@H](C)NC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000084309710 344418751 /nfs/dbraw/zinc/41/87/51/344418751.db2.gz RQVXZEWEXIRRRL-CIUDSAMLSA-N 1 0 228.292 0.039 10 0 BCAERO OC[C@@H]1C[C@H]1[NH2+]Cc1cnc2cnccn12 ZINC000381497504 344513577 /nfs/dbraw/zinc/51/35/77/344513577.db2.gz NALXWUKDPZBZJB-WCBMZHEXSA-N 1 0 218.260 0.200 10 0 BCAERO CCN(C)C(=O)C1(C[NH3+])CCOCC1 ZINC000044762435 344545861 /nfs/dbraw/zinc/54/58/61/344545861.db2.gz JMOHRPVKJZDXBV-UHFFFAOYSA-N 1 0 200.282 0.220 10 0 BCAERO COCCC[N@H+](C)CCNC(=O)[C@@H](C)COC ZINC000152410546 344545877 /nfs/dbraw/zinc/54/58/77/344545877.db2.gz SDGPLJLRHDQBPJ-NSHDSACASA-N 1 0 246.351 0.353 10 0 BCAERO [NH3+][C@H]1CCCN(CC(=O)[C@@H]2CCOC2)C1 ZINC000158230149 344567973 /nfs/dbraw/zinc/56/79/73/344567973.db2.gz JFMHQKQRVWIOSB-ZJUUUORDSA-N 1 0 212.293 0.015 10 0 BCAERO Cc1cc(NC[C@H](C)C[NH3+])n2ncnc2n1 ZINC000083387670 133524693 /nfs/dbraw/zinc/52/46/93/133524693.db2.gz PGYQKECNWCWDJJ-SSDOTTSWSA-N 1 0 220.280 0.439 10 0 BCAERO O=C1CCN([C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000158285579 344582464 /nfs/dbraw/zinc/58/24/64/344582464.db2.gz OLXOUKVZXFOBBS-WDEREUQCSA-N 1 0 208.305 0.888 10 0 BCAERO C[C@H]1C[C@@H](N2CCC(=O)C2=O)CC[N@@H+]1C ZINC000158291030 344584058 /nfs/dbraw/zinc/58/40/58/344584058.db2.gz LLJCYUVKPKSLOK-IUCAKERBSA-N 1 0 210.277 0.271 10 0 BCAERO [NH3+][C@@H]1CCN(C2CCC3(CC2)OCCO3)C1 ZINC000050227646 344659765 /nfs/dbraw/zinc/65/97/65/344659765.db2.gz XYJYFVPILPFUFB-SNVBAGLBSA-N 1 0 226.320 0.705 10 0 BCAERO O[C@@H]1CCC[C@H]1[N@@H+]1CCO[C@H](CCF)C1 ZINC000626006323 344665232 /nfs/dbraw/zinc/66/52/32/344665232.db2.gz VZJDSWLBFYJQDP-GMTAPVOTSA-N 1 0 217.284 0.960 10 0 BCAERO C[C@H](C[NH3+])S(=O)(=O)N1CCS[C@@H](C)C1 ZINC000221060783 344668739 /nfs/dbraw/zinc/66/87/39/344668739.db2.gz KPNHVLPWEWBZLN-JGVFFNPUSA-N 1 0 238.378 0.101 10 0 BCAERO C[C@@H]1C[C@@]2(CC[N@@H+]1C)NCCc1nc[nH]c12 ZINC000400390413 537854372 /nfs/dbraw/zinc/85/43/72/537854372.db2.gz PEEKBYBRFNLKLH-BXKDBHETSA-N 1 0 220.320 0.865 10 0 BCAERO C[C@H](Cc1ccsc1)N1C[C@H]([NH3+])C1=O ZINC000227622848 344669524 /nfs/dbraw/zinc/66/95/24/344669524.db2.gz GEGPBRWHSHGFFH-APPZFPTMSA-N 1 0 210.302 0.849 10 0 BCAERO CN(CC[NH3+])Cc1c[nH]nc1-c1ccccn1 ZINC000221080895 344674603 /nfs/dbraw/zinc/67/46/03/344674603.db2.gz CREOQTRWBNVALP-UHFFFAOYSA-N 1 0 231.303 0.862 10 0 BCAERO C[C@H](Cc1cccs1)N1C[C@@H]([NH3+])C1=O ZINC000227625671 344675717 /nfs/dbraw/zinc/67/57/17/344675717.db2.gz PUWWVPVFSAOQME-VXNVDRBHSA-N 1 0 210.302 0.849 10 0 BCAERO Cc1ccc(N(C)[C@@H]2CCC[NH2+]C2)nn1 ZINC000082499980 178700173 /nfs/dbraw/zinc/70/01/73/178700173.db2.gz HUSMLNXYVBIQOZ-SNVBAGLBSA-N 1 0 206.293 0.973 10 0 BCAERO Cn1ccc(C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)n1 ZINC000310414096 344695569 /nfs/dbraw/zinc/69/55/69/344695569.db2.gz MSSCFNGRZXGWOZ-AEJSXWLSSA-N 1 0 234.303 0.229 10 0 BCAERO C[C@H]1C[C@]2(CN1C)[NH2+]CCc1nc[nH]c12 ZINC000400397777 537855722 /nfs/dbraw/zinc/85/57/22/537855722.db2.gz MWYOMOVPDUMKDG-GZMMTYOYSA-N 1 0 206.293 0.475 10 0 BCAERO CC[NH+]1CCC2(CC1)NCCc1nc[nH]c12 ZINC000400452978 537856684 /nfs/dbraw/zinc/85/66/84/537856684.db2.gz PFLAHGQTSGHQOX-UHFFFAOYSA-N 1 0 220.320 0.866 10 0 BCAERO CCOC1CC2(C1)[NH2+]CCc1nc[nH]c12 ZINC000400413896 537857162 /nfs/dbraw/zinc/85/71/62/537857162.db2.gz UHWLXGYYIBSHEK-UHFFFAOYSA-N 1 0 207.277 0.950 10 0 BCAERO CC(C)N(C)C(=O)CN1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261544927 534967664 /nfs/dbraw/zinc/96/76/64/534967664.db2.gz FGOSGMUZAFPQLW-RYUDHWBXSA-N 1 0 239.363 0.395 10 0 BCAERO C[N@@H+]1CCC[C@]2(CC1)NCCc1nc[nH]c12 ZINC000400555158 537857892 /nfs/dbraw/zinc/85/78/92/537857892.db2.gz KQLOTHCJDIMMAN-GFCCVEGCSA-N 1 0 220.320 0.866 10 0 BCAERO C[C@@H](CNC(=O)OC(C)(C)C)[NH2+][C@@H](C)C(N)=O ZINC000235162280 344831945 /nfs/dbraw/zinc/83/19/45/344831945.db2.gz SFRVUMVIVQXCJG-YUMQZZPRSA-N 1 0 245.323 0.363 10 0 BCAERO CC1=NN(C)C(=O)C1c1c[nH+]ccc1N ZINC000675053237 537864593 /nfs/dbraw/zinc/86/45/93/537864593.db2.gz FNAZVPDWNLOWCQ-UHFFFAOYSA-N 1 0 204.233 0.909 10 0 BCAERO CC[C@@](C)([NH3+])C(=O)Nc1cnns1 ZINC000166319748 344854375 /nfs/dbraw/zinc/85/43/75/344854375.db2.gz VDQZCEHIGNMVTI-SSDOTTSWSA-N 1 0 200.267 0.604 10 0 BCAERO COC(=O)c1cnc(CC[NH+](C)C)[nH]c1=O ZINC000300913366 537867737 /nfs/dbraw/zinc/86/77/37/537867737.db2.gz PAYBUWFCENBZJD-UHFFFAOYSA-N 1 0 225.248 0.073 10 0 BCAERO CC(C)C[C@H]([NH3+])C(=O)Nc1nnns1 ZINC000166341883 344870155 /nfs/dbraw/zinc/87/01/55/344870155.db2.gz WPODLTAVTXTFRK-YFKPBYRVSA-N 1 0 215.282 0.245 10 0 BCAERO C[NH+](C)CC[C@@]1(C)NCCc2nc[nH]c21 ZINC000715206749 537869160 /nfs/dbraw/zinc/86/91/60/537869160.db2.gz DOYYROXRUKRAFN-LLVKDONJSA-N 1 0 208.309 0.722 10 0 BCAERO C[C@@H]1CN(c2cncc(Cl)n2)C[C@@H]1[NH3+] ZINC000235381856 344899145 /nfs/dbraw/zinc/89/91/45/344899145.db2.gz LCRGGZKHNYQQEK-RQJHMYQMSA-N 1 0 212.684 0.913 10 0 BCAERO C[C@H](CC(F)(F)F)N1C[C@@H]([NH3+])CC1=O ZINC000235409581 344904467 /nfs/dbraw/zinc/90/44/67/344904467.db2.gz CJPUXUYCQMLJMA-RITPCOANSA-N 1 0 210.199 0.887 10 0 BCAERO [NH3+]C[C@@]1([C@@H]2CCS(=O)(=O)C2)CCCS1 ZINC000166486873 344907146 /nfs/dbraw/zinc/90/71/46/344907146.db2.gz BAOQVWYDJHIWKD-RKDXNWHRSA-N 1 0 235.374 0.646 10 0 BCAERO COC(C)(C)C(=O)C[C@@H]1COC[C@H](C)[NH2+]1 ZINC000301023654 537879296 /nfs/dbraw/zinc/87/92/96/537879296.db2.gz QWZDNIUQWYLOAI-DTWKUNHWSA-N 1 0 215.293 0.748 10 0 BCAERO C[C@H]1C[C@@H]1C[NH2+][C@H]1COC[C@H]1n1ccnn1 ZINC000378752519 344944294 /nfs/dbraw/zinc/94/42/94/344944294.db2.gz VWAAFIMRIYPUFG-ZRUFSTJUSA-N 1 0 222.292 0.464 10 0 BCAERO COC(=O)c1cncc(N2C[C@H]([NH3+])C[C@H]2C)n1 ZINC000600963687 344949020 /nfs/dbraw/zinc/94/90/20/344949020.db2.gz YOYAHBLPYMTWDN-HTQZYQBOSA-N 1 0 236.275 0.189 10 0 BCAERO C[C@H](C[NH3+])[C@H](O)c1ncc(Cl)n1C ZINC000301041350 537883612 /nfs/dbraw/zinc/88/36/12/537883612.db2.gz WMAXBYKWFIKLPV-VDTYLAMSSA-N 1 0 203.673 0.702 10 0 BCAERO [NH3+]C[C@@]1(O)CCCN(c2ccccn2)C1 ZINC000238805431 345044361 /nfs/dbraw/zinc/04/43/61/345044361.db2.gz YMXRADSUILMSEP-NSHDSACASA-N 1 0 207.277 0.372 10 0 BCAERO CC(C)C[C@H]([NH3+])C(=O)N1CCC([C@@H](C)O)CC1 ZINC000155199785 345071215 /nfs/dbraw/zinc/07/12/15/345071215.db2.gz QOLFFIHYJNEVPU-PWSUYJOCSA-N 1 0 242.363 0.979 10 0 BCAERO O=C1NCCC[C@@H]1N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000156076643 345123464 /nfs/dbraw/zinc/12/34/64/345123464.db2.gz BTOOIFMNURAVGB-TUAOUCFPSA-N 1 0 237.347 0.481 10 0 BCAERO Cc1cnc(NC[C@@H]2COCC[NH2+]2)nc1C ZINC000395427612 362574457 /nfs/dbraw/zinc/57/44/57/362574457.db2.gz PCTOVILHAJALCH-SNVBAGLBSA-N 1 0 222.292 0.494 10 0 BCAERO CC[NH+]1CCC(CN2CCC(=O)C2)CC1 ZINC000044518777 345105535 /nfs/dbraw/zinc/10/55/35/345105535.db2.gz JUTGTWHSVWIPHX-UHFFFAOYSA-N 1 0 210.321 0.993 10 0 BCAERO C(C1CC1)[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000156531114 345177047 /nfs/dbraw/zinc/17/70/47/345177047.db2.gz VMLGVVUHMNSGDO-GFCCVEGCSA-N 1 0 210.321 0.803 10 0 BCAERO C[C@@H]1CN(CC23CC(C2)C[NH2+]3)C[C@@H](C)O1 ZINC000634991755 345178390 /nfs/dbraw/zinc/17/83/90/345178390.db2.gz QKOVOGRQWCAHHR-QYNFOATHSA-N 1 0 210.321 0.848 10 0 BCAERO C[C@@H](O)C1CCN(CC23CC(C2)C[NH2+]3)CC1 ZINC000634992612 345181322 /nfs/dbraw/zinc/18/13/22/345181322.db2.gz VURYODKCMZJXGZ-XSRFYTQQSA-N 1 0 224.348 0.831 10 0 BCAERO C[N@@H+]1CCC[C@H]1CCSC[C@H](O)CO ZINC000126737522 345135734 /nfs/dbraw/zinc/13/57/34/345135734.db2.gz HSPAWQWIXMNESK-VHSXEESVSA-N 1 0 219.350 0.557 10 0 BCAERO C[NH2+][C@H](C)C(=O)N[C@@H]1CCCOCC1 ZINC000307171612 345136509 /nfs/dbraw/zinc/13/65/09/345136509.db2.gz LVNBLOMUSABOAQ-RKDXNWHRSA-N 1 0 200.282 0.280 10 0 BCAERO C([C@@H]1CSCC[NH2+]1)N1CCSCC1 ZINC000127050759 345153365 /nfs/dbraw/zinc/15/33/65/345153365.db2.gz OSGGCNZJOYLPNC-SECBINFHSA-N 1 0 218.391 0.740 10 0 BCAERO COC(=O)[C@@H]1CCC[N@@H+]([C@@H]2CCOC2)C1 ZINC000157151672 345246868 /nfs/dbraw/zinc/24/68/68/345246868.db2.gz DNJFYKADNNYCPF-NXEZZACHSA-N 1 0 213.277 0.660 10 0 BCAERO CCCCOC[C@H](O)C[NH2+][C@@H]1CCO[C@H]1C ZINC000300229478 345287711 /nfs/dbraw/zinc/28/77/11/345287711.db2.gz WYWPVYBCDRYXEC-QJPTWQEYSA-N 1 0 231.336 0.931 10 0 BCAERO COC[C@H]([NH3+])C(=O)Nc1cc(C)ccn1 ZINC000088002535 133542936 /nfs/dbraw/zinc/54/29/36/133542936.db2.gz MSFKZMQFGBVAMH-QMMMGPOBSA-N 1 0 209.249 0.302 10 0 BCAERO COc1c(CN(C)[C@H]2CC[NH2+]C2)c(C)nn1C ZINC000158496420 345340508 /nfs/dbraw/zinc/34/05/08/345340508.db2.gz DFLAFLWCRUTZBN-JTQLQIEISA-N 1 0 238.335 0.531 10 0 BCAERO C[C@H](C(N)=S)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000133254211 345367421 /nfs/dbraw/zinc/36/74/21/345367421.db2.gz GRMRNLXBBVNVCW-GJMOJQLCSA-N 1 0 202.323 0.770 10 0 BCAERO Cc1cc(NCC(F)F)nc(NN)[nH+]1 ZINC000148244969 345383789 /nfs/dbraw/zinc/38/37/89/345383789.db2.gz AMLGPNWZSFTNLS-UHFFFAOYSA-N 1 0 203.196 0.748 10 0 BCAERO CCOCC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000158897837 345386142 /nfs/dbraw/zinc/38/61/42/345386142.db2.gz FCQXPFJBSTZJPI-WDEREUQCSA-N 1 0 228.336 0.868 10 0 BCAERO Cc1nnsc1C(=O)N1CCC[C@H]1C[NH3+] ZINC000168854999 345404672 /nfs/dbraw/zinc/40/46/72/345404672.db2.gz RPSNLSYXYFJARI-ZETCQYMHSA-N 1 0 226.305 0.410 10 0 BCAERO COC[C@@H]([NH3+])C(=O)Nc1cc(C)ccc1OC ZINC000159561204 345442465 /nfs/dbraw/zinc/44/24/65/345442465.db2.gz LIXAAKMGWUVAJE-SECBINFHSA-N 1 0 238.287 0.916 10 0 BCAERO CC[C@@H]([NH3+])CNc1nc(OC)cc(OC)n1 ZINC000159006838 345398776 /nfs/dbraw/zinc/39/87/76/345398776.db2.gz LOOCSPQCDCPWFW-SSDOTTSWSA-N 1 0 226.280 0.643 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N(C)Cc1cccc(C)c1 ZINC000159731220 345508592 /nfs/dbraw/zinc/50/85/92/345508592.db2.gz IAWDMEGCIFSLBS-GFCCVEGCSA-N 1 0 236.315 0.927 10 0 BCAERO CCC1CCN([C@@H]2CS(=O)(=O)C[C@H]2[NH3+])CC1 ZINC000054493133 168529790 /nfs/dbraw/zinc/52/97/90/168529790.db2.gz JQJCOIWBVONFRO-GHMZBOCLSA-N 1 0 246.376 0.233 10 0 BCAERO CCC1(C(=O)N2CC[C@H]3OCC[NH2+][C@H]3C2)CC1 ZINC000403977174 323092166 /nfs/dbraw/zinc/09/21/66/323092166.db2.gz DPJPZHOXVVNYHM-WDEREUQCSA-N 1 0 238.331 0.766 10 0 BCAERO COC[C@@H]([NH3+])C(=O)Nc1ccc(OC)cc1C ZINC000159901075 345621418 /nfs/dbraw/zinc/62/14/18/345621418.db2.gz XYLUZAYKRDJJBD-SNVBAGLBSA-N 1 0 238.287 0.916 10 0 BCAERO Cc1c(CC2=C[C@H](N)C[NH2+]C2)cnn1C ZINC000675078770 537901611 /nfs/dbraw/zinc/90/16/11/537901611.db2.gz SHUMYYCVUOGCBE-NSHDSACASA-N 1 0 206.293 0.128 10 0 BCAERO O=C1CC[C@H](C[NH2+]Cc2ccc(O)cc2F)N1 ZINC000404075891 537903107 /nfs/dbraw/zinc/90/31/07/537903107.db2.gz NLGGWRCRKIPBTD-SECBINFHSA-N 1 0 238.262 0.900 10 0 BCAERO COC(=O)c1nc(C2=CC[NH2+]CC2)cnc1N ZINC000114225070 345756078 /nfs/dbraw/zinc/75/60/78/345756078.db2.gz NWOJMAMTIRMDLQ-UHFFFAOYSA-N 1 0 234.259 0.222 10 0 BCAERO C[NH2+]Cc1ccccc1N(C)S(C)(=O)=O ZINC000206165346 345757967 /nfs/dbraw/zinc/75/79/67/345757967.db2.gz RIWQLHIYZFBOJX-UHFFFAOYSA-N 1 0 228.317 0.802 10 0 BCAERO CC(C)[N@H+](C)CCNC(=O)[C@@H]1CC(F)(F)CN1 ZINC000263262154 535007601 /nfs/dbraw/zinc/00/76/01/535007601.db2.gz RBINGXVPWKSHNF-VIFPVBQESA-N 1 0 249.305 0.440 10 0 BCAERO CCn1nncc1C(=O)[C@@H]1CCC[NH2+]C1 ZINC000221556450 345764846 /nfs/dbraw/zinc/76/48/46/345764846.db2.gz ZFHSRBPNHLTLOD-MRVPVSSYSA-N 1 0 208.265 0.480 10 0 BCAERO CSCCNC(=O)[C@@]1(C)CCC[NH2+]1 ZINC000070619435 345791592 /nfs/dbraw/zinc/79/15/92/345791592.db2.gz DEDSECYGGOLZNO-SECBINFHSA-N 1 0 202.323 0.608 10 0 BCAERO C[C@H]([NH3+])[C@@H](N1CC[C@H](O)C1)C(F)(F)F ZINC000061710067 345843587 /nfs/dbraw/zinc/84/35/87/345843587.db2.gz DDYBMVSYLMXAFL-LYFYHCNISA-N 1 0 212.215 0.331 10 0 BCAERO CCC[NH2+][C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O ZINC000306431763 537914841 /nfs/dbraw/zinc/91/48/41/537914841.db2.gz UQGVXNABKACSFU-UWVGGRQHSA-N 1 0 244.335 0.966 10 0 BCAERO CCOc1ccnc(N2CC[NH2+]CC2)c1 ZINC000215625098 345848073 /nfs/dbraw/zinc/84/80/73/345848073.db2.gz FTVJIPHSVIBSCD-UHFFFAOYSA-N 1 0 207.277 0.890 10 0 BCAERO COC(=O)[C@](C)([NH3+])C[C@H](C)n1cccn1 ZINC000082800441 537923392 /nfs/dbraw/zinc/92/33/92/537923392.db2.gz PTDCXOXMHYZDIW-WCBMZHEXSA-N 1 0 211.265 0.725 10 0 BCAERO FC1(C[NH2+][C@H]2CCc3ncnn3C2)CC1 ZINC000380014865 365806316 /nfs/dbraw/zinc/80/63/16/365806316.db2.gz SYNMJDFSPSNRIS-QMMMGPOBSA-N 1 0 210.256 0.685 10 0 BCAERO CCNC(=S)N[C@@H]1CCC[N@H+](CC)C1 ZINC000136152359 345935915 /nfs/dbraw/zinc/93/59/15/345935915.db2.gz KHYRUVPJGGIDPU-SECBINFHSA-N 1 0 215.366 0.955 10 0 BCAERO COC(=O)[C@](C)([NH3+])C[C@@H](C)n1cncn1 ZINC000082800478 537923985 /nfs/dbraw/zinc/92/39/85/537923985.db2.gz QOLUFPSANYCXBK-VXNVDRBHSA-N 1 0 212.253 0.120 10 0 BCAERO C[C@H](C[C@@](C)([NH3+])C(N)=O)n1cc(Cl)cn1 ZINC000082800522 537924102 /nfs/dbraw/zinc/92/41/02/537924102.db2.gz CGWQBYHDOOGXFZ-HZGVNTEJSA-N 1 0 230.699 0.690 10 0 BCAERO Cc1nccn1[C@H](C)C[C@@](C)([NH3+])C(N)=O ZINC000082800208 537924194 /nfs/dbraw/zinc/92/41/94/537924194.db2.gz IHNXAIDRLIKQQV-GMSGAONNSA-N 1 0 210.281 0.345 10 0 BCAERO CC(C)(C)C[C@H]1CS(=O)(=O)C[C@@H]1[NH3+] ZINC000075131292 537924986 /nfs/dbraw/zinc/92/49/86/537924986.db2.gz OJFZOQAVTAMMNS-YUMQZZPRSA-N 1 0 205.323 0.795 10 0 BCAERO C[C@@H]1C[NH2+]CCN1Cc1nn(C)cc1C=O ZINC000675054558 537947200 /nfs/dbraw/zinc/94/72/00/537947200.db2.gz RPDOSHGAMGEWEK-SECBINFHSA-N 1 0 222.292 0.026 10 0 BCAERO C(CN1CC[C@H]2OCC[NH2+][C@H]2C1)OCC1CC1 ZINC000563268933 323107182 /nfs/dbraw/zinc/10/71/82/323107182.db2.gz PIPCIIOMOCCPQE-QWHCGFSZSA-N 1 0 240.347 0.476 10 0 BCAERO CC[C@@H]1C[C@@]1([NH3+])[C@@H]1CCS(=O)(=O)C1 ZINC000150332081 346170424 /nfs/dbraw/zinc/17/04/24/346170424.db2.gz JGNPYCWDXKXCSE-HLTSFMKQSA-N 1 0 203.307 0.549 10 0 BCAERO COC(=O)CCCN(C)C(=O)C[C@H]([NH3+])C(C)C ZINC000136392976 346206991 /nfs/dbraw/zinc/20/69/91/346206991.db2.gz OIEXDEMWHNXEPP-JTQLQIEISA-N 1 0 244.335 0.771 10 0 BCAERO C[C@@H](CC(N)=S)[N@@H+]1CCCOCC1 ZINC000061918593 346179934 /nfs/dbraw/zinc/17/99/34/346179934.db2.gz MFJUBJAWPHYIRC-QMMMGPOBSA-N 1 0 202.323 0.773 10 0 BCAERO Cn1nnc(Br)c1N1CC[C@H]([NH3+])C1 ZINC000236079599 346189669 /nfs/dbraw/zinc/18/96/69/346189669.db2.gz HBRGOCDADWRQPI-YFKPBYRVSA-N 1 0 246.112 0.115 10 0 BCAERO Cn1c(Cl)cnc1COC1(C)C[NH2+]C1 ZINC000236079756 346189762 /nfs/dbraw/zinc/18/97/62/346189762.db2.gz NHGYGDQVPACSBT-UHFFFAOYSA-N 1 0 215.684 0.952 10 0 BCAERO O=C(C(F)F)N1CCn2ccnc2C1 ZINC000236133060 346197204 /nfs/dbraw/zinc/19/72/04/346197204.db2.gz JGQSITMKXLYMEG-UHFFFAOYSA-N 1 0 201.176 0.490 10 0 BCAERO [NH3+][C@@H]1CCOC[C@@H]1Sc1ncco1 ZINC000236309159 346223870 /nfs/dbraw/zinc/22/38/70/346223870.db2.gz JAJMKYLPBCGWDJ-RQJHMYQMSA-N 1 0 200.263 0.883 10 0 BCAERO CNS(=O)(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000669376416 537961676 /nfs/dbraw/zinc/96/16/76/537961676.db2.gz RSGYPUSCXNSQOI-DTWKUNHWSA-N 1 0 220.338 0.408 10 0 BCAERO Cc1cccc(C(=O)N2CC[C@H]([NH3+])[C@H]2C)n1 ZINC000335550897 179011706 /nfs/dbraw/zinc/01/17/06/179011706.db2.gz FIZDTXJKZWASOL-ZJUUUORDSA-N 1 0 219.288 0.952 10 0 BCAERO OC1(c2scnc2Br)C[NH2+]C1 ZINC000236474013 346243466 /nfs/dbraw/zinc/24/34/66/346243466.db2.gz XLSVRBMWXLEPIQ-UHFFFAOYSA-N 1 0 235.106 0.696 10 0 BCAERO CNS(=O)(=O)[C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000669375937 537959807 /nfs/dbraw/zinc/95/98/07/537959807.db2.gz ZERGUBBKWBMKAM-DJLDLDEBSA-N 1 0 220.338 0.264 10 0 BCAERO CO[C@H]1C[C@@H](CO)[N@H+](Cc2cnc(C)o2)C1 ZINC000628267412 346269237 /nfs/dbraw/zinc/26/92/37/346269237.db2.gz VEFVVKQGTKXJHD-UWVGGRQHSA-N 1 0 226.276 0.565 10 0 BCAERO COc1nscc1[C@@H](O)[C@H](C)C[NH3+] ZINC000669377614 537964750 /nfs/dbraw/zinc/96/47/50/537964750.db2.gz UZYKVQRSQWJEFW-VDTYLAMSSA-N 1 0 202.279 0.780 10 0 BCAERO [NH3+]CC1([C@@]2(O)CCCC3(C2)OCCO3)CC1 ZINC000669378109 537966847 /nfs/dbraw/zinc/96/68/47/537966847.db2.gz XSRXJAKYCIZHDQ-LLVKDONJSA-N 1 0 227.304 0.774 10 0 BCAERO CO[C@H](C)CN1C[C@H]([NH3+])[C@H](C)CC1=O ZINC000167649063 346297668 /nfs/dbraw/zinc/29/76/68/346297668.db2.gz FBBGANWBWVJIFB-HLTSFMKQSA-N 1 0 200.282 0.217 10 0 BCAERO C[C@@H](C[NH3+])[C@H](O)c1cn(C)nc1Br ZINC000669378044 537965703 /nfs/dbraw/zinc/96/57/03/537965703.db2.gz RMYDIZQZWNHLMH-FSPLSTOPSA-N 1 0 248.124 0.811 10 0 BCAERO Cc1cccc(CC(=O)NCCOCC[NH3+])c1 ZINC000111363668 179052901 /nfs/dbraw/zinc/05/29/01/179052901.db2.gz CNMKUZHOISJAJH-UHFFFAOYSA-N 1 0 236.315 0.629 10 0 BCAERO CC[NH+](CC)C[C@@H]1C[NH2+]C[C@H](C(=O)[O-])C1 ZINC000669378586 537969609 /nfs/dbraw/zinc/96/96/09/537969609.db2.gz HZPPVQUQZJSADJ-VHSXEESVSA-N 1 0 214.309 0.639 10 0 BCAERO CO[C@H](C)[C@H](C)[NH2+]C[C@@H]1CN(C)CCO1 ZINC000161577886 346337485 /nfs/dbraw/zinc/33/74/85/346337485.db2.gz IQJBKWLKZCMYOT-HBNTYKKESA-N 1 0 216.325 0.330 10 0 BCAERO COC(=O)[C@@H](C)[N@@H+]1CC[C@H](CCO)C1 ZINC000161588691 346338209 /nfs/dbraw/zinc/33/82/09/346338209.db2.gz CHYIDZXIORVTQE-RKDXNWHRSA-N 1 0 201.266 0.252 10 0 BCAERO C[C@H](C(=O)N(C)C)[N@@H+]1CC[C@H](CCO)C1 ZINC000161621883 346344276 /nfs/dbraw/zinc/34/42/76/346344276.db2.gz QEDQAQQEGVCRIO-NXEZZACHSA-N 1 0 214.309 0.167 10 0 BCAERO CNC(=O)CC[N@@H+]1CCC[C@@H]1CCCO ZINC000052762661 346373943 /nfs/dbraw/zinc/37/39/43/346373943.db2.gz KIFYMIVIBUMIJL-SNVBAGLBSA-N 1 0 214.309 0.359 10 0 BCAERO O=C([O-])[C@@H]1C[NH2+]C[C@H](C[NH+]2CCCC2)C1 ZINC000669378738 537973082 /nfs/dbraw/zinc/97/30/82/537973082.db2.gz KIBACNSNKNILJM-ZJUUUORDSA-N 1 0 212.293 0.393 10 0 BCAERO Cc1ncc(CN(C)CC[N@H+](C)CCO)o1 ZINC000641774417 362714655 /nfs/dbraw/zinc/71/46/55/362714655.db2.gz DLANNVUPVMDYJO-UHFFFAOYSA-N 1 0 227.308 0.339 10 0 BCAERO Cc1cccc(CN2CC[NH2+]C[C@H]2CCO)n1 ZINC000072433835 179080230 /nfs/dbraw/zinc/08/02/30/179080230.db2.gz UWJMISZCMKFXHV-CYBMUJFWSA-N 1 0 235.331 0.546 10 0 BCAERO Cc1cccc(CNC(=O)[C@@H]2C[NH2+]CCN2)c1 ZINC000062812890 179086146 /nfs/dbraw/zinc/08/61/46/179086146.db2.gz IQSLCTURFQFVGY-LBPRGKRZSA-N 1 0 233.315 0.173 10 0 BCAERO O[C@@H]1COC[C@H]1[NH2+]C[C@@H]1CSCCS1 ZINC000229599848 346441230 /nfs/dbraw/zinc/44/12/30/346441230.db2.gz PCBXDWKSVCJHDS-IWSPIJDZSA-N 1 0 235.374 0.184 10 0 BCAERO Cc1cccc(C[NH2+][C@@H]2CC(=O)N(C)C2=O)c1 ZINC000103312042 179097659 /nfs/dbraw/zinc/09/76/59/179097659.db2.gz OMALJQZURRRDRB-LLVKDONJSA-N 1 0 232.283 0.842 10 0 BCAERO COCC(=O)N[C@@](C)(CC[NH3+])C(F)F ZINC000669379591 537980783 /nfs/dbraw/zinc/98/07/83/537980783.db2.gz GKMGYSGQYAJONQ-QMMMGPOBSA-N 1 0 210.224 0.122 10 0 BCAERO COc1cc(CN2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)on1 ZINC000641797553 362743457 /nfs/dbraw/zinc/74/34/57/362743457.db2.gz FJOWECFSLJWAHF-INTQDDNPSA-N 1 0 237.303 0.852 10 0 BCAERO C[NH+](C)[C@@H]1CCN(C(=O)NCC2CC2)C1 ZINC000170828015 346456923 /nfs/dbraw/zinc/45/69/23/346456923.db2.gz JGVMLILQDHUTDT-SNVBAGLBSA-N 1 0 211.309 0.742 10 0 BCAERO CCN(C)C[C@H](O)C[NH2+][C@@H]1CCO[C@@H]1C ZINC000380022552 365812322 /nfs/dbraw/zinc/81/23/22/365812322.db2.gz OLHDLHMSXMZBLF-GMTAPVOTSA-N 1 0 216.325 0.066 10 0 BCAERO CCN(CC)S(=O)(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170873689 346466230 /nfs/dbraw/zinc/46/62/30/346466230.db2.gz GWUWSEMWNFXKKR-JTQLQIEISA-N 1 0 249.380 0.209 10 0 BCAERO COCCCC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170865677 346466291 /nfs/dbraw/zinc/46/62/91/346466291.db2.gz IVKTVINXYCHSMS-SNVBAGLBSA-N 1 0 214.309 0.576 10 0 BCAERO CCCS(=O)(=O)N1CCC[NH2+]C2(CC2)C1 ZINC000725241616 537981932 /nfs/dbraw/zinc/98/19/32/537981932.db2.gz JRCRDWDXPSFJEO-UHFFFAOYSA-N 1 0 232.349 0.554 10 0 BCAERO CC(=O)N[C@@H]1C[C@]2(C[NH2+][C@@H]2C(C)C)C[C@H]1O ZINC000669379790 537981970 /nfs/dbraw/zinc/98/19/70/537981970.db2.gz DEVWVSJBDJAHRV-DDHJBXDOSA-N 1 0 226.320 0.260 10 0 BCAERO C[C@H]1CN(C(=O)[C@@H]2CC[NH2+]C2)C[C@H](C)S1 ZINC000069909784 349968749 /nfs/dbraw/zinc/96/87/49/349968749.db2.gz ABDADARGXSJZLK-LPEHRKFASA-N 1 0 228.361 0.948 10 0 BCAERO CN1C[C@H]([NH2+]C[C@H](O)C(C)(C)C)CC1=O ZINC000380040352 365823700 /nfs/dbraw/zinc/82/37/00/365823700.db2.gz UEPOMCSEDKISTJ-BDAKNGLRSA-N 1 0 214.309 0.214 10 0 BCAERO CS(=O)(=O)c1cnn(CC23CC(C2)C[NH2+]3)c1 ZINC000725242221 537983650 /nfs/dbraw/zinc/98/36/50/537983650.db2.gz NLDLODPFZNBFJS-UHFFFAOYSA-N 1 0 241.316 0.039 10 0 BCAERO C[C@@H]1C[C@@H](NC(=O)[C@H]2CC[NH2+]C2)CCO1 ZINC000300376663 346531026 /nfs/dbraw/zinc/53/10/26/346531026.db2.gz DXLSTLIYCPLNQV-UTLUCORTSA-N 1 0 212.293 0.280 10 0 BCAERO Cc1cccc(N(C)C(=O)[C@@H]2C[NH2+][C@@H](C)CN2)c1 ZINC000062815454 179114540 /nfs/dbraw/zinc/11/45/40/179114540.db2.gz UGMFSMJJNLFNCJ-AAEUAGOBSA-N 1 0 247.342 0.908 10 0 BCAERO Cc1cccc(N(C)CCN2CC[NH2+]CC2)n1 ZINC000071151068 179115986 /nfs/dbraw/zinc/11/59/86/179115986.db2.gz HREIWCHLFRVWLZ-UHFFFAOYSA-N 1 0 234.347 0.731 10 0 BCAERO C[C@@]12CC[NH2+][C@H]1N(C=O)c1ccc(O)cc12 ZINC000309560606 347102142 /nfs/dbraw/zinc/10/21/42/347102142.db2.gz QKYUCCBRNGDGMX-RYUDHWBXSA-N 1 0 218.256 0.946 10 0 BCAERO CCC(=O)N1CC2(C1)C[C@H]([NH3+])c1nccn12 ZINC000669380027 537983909 /nfs/dbraw/zinc/98/39/09/537983909.db2.gz FVZSTWNGWIPMNU-QMMMGPOBSA-N 1 0 220.276 0.234 10 0 BCAERO [NH3+][C@@H]1CCC[C@H]1c1nn2cnnc2s1 ZINC000163885597 346580843 /nfs/dbraw/zinc/58/08/43/346580843.db2.gz IGKFMXJNGOEUDA-PHDIDXHHSA-N 1 0 209.278 0.781 10 0 BCAERO CO[C@H](C)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000163883024 346580961 /nfs/dbraw/zinc/58/09/61/346580961.db2.gz OIJYILMQJCFNPN-RKDXNWHRSA-N 1 0 200.282 0.280 10 0 BCAERO [NH3+][C@@H]1CC[C@H](c2nn3cnnc3s2)C1 ZINC000163888269 346581214 /nfs/dbraw/zinc/58/12/14/346581214.db2.gz PJOSGKJXTYSFLP-NTSWFWBYSA-N 1 0 209.278 0.781 10 0 BCAERO CO[C@H](C)C(=O)N1C[C@H]([NH3+])C[C@H](C)C1 ZINC000163897761 346581537 /nfs/dbraw/zinc/58/15/37/346581537.db2.gz JOKQJALTZZOBKU-DJLDLDEBSA-N 1 0 200.282 0.217 10 0 BCAERO C[C@@]1(Cn2cc(S(C)(=O)=O)cn2)CC[NH2+]C1 ZINC000725242388 537983836 /nfs/dbraw/zinc/98/38/36/537983836.db2.gz YPFXCXIVDZCHPM-SNVBAGLBSA-N 1 0 243.332 0.286 10 0 BCAERO CCNC(=S)N(C)[C@@H]1CCC[N@H+](C)C1 ZINC000164305150 346599828 /nfs/dbraw/zinc/59/98/28/346599828.db2.gz VTMRUGMUOVRBOD-SECBINFHSA-N 1 0 215.366 0.907 10 0 BCAERO CS(=O)(=O)NC[C@@H]1[NH2+]CC[C@@H]2CCCC[C@H]12 ZINC000669380070 537984111 /nfs/dbraw/zinc/98/41/11/537984111.db2.gz HRAMRUUDIXQQIQ-DCAQKATOSA-N 1 0 246.376 0.704 10 0 BCAERO Cc1cccc(NC(=O)C[NH2+]CCC(N)=O)c1 ZINC000036747323 179127569 /nfs/dbraw/zinc/12/75/69/179127569.db2.gz QNPURDQNMQVQKN-UHFFFAOYSA-N 1 0 235.287 0.399 10 0 BCAERO C[C@H]([NH3+])[C@H](C)C(=O)NC1CCOCC1 ZINC000165164608 346644263 /nfs/dbraw/zinc/64/42/63/346644263.db2.gz PWACEBJYHKIOBE-YUMQZZPRSA-N 1 0 200.282 0.265 10 0 BCAERO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)[C@H]2CCCO2)C1 ZINC000166386288 346675487 /nfs/dbraw/zinc/67/54/87/346675487.db2.gz HGGRBQLEAOTUHS-GMTAPVOTSA-N 1 0 226.320 0.751 10 0 BCAERO Cn1ccc(C[C@H]([NH3+])c2csnn2)n1 ZINC000164772469 346624828 /nfs/dbraw/zinc/62/48/28/346624828.db2.gz WZPOTNBSFILLPI-ZETCQYMHSA-N 1 0 209.278 0.514 10 0 BCAERO COC[C@H](C)C[NH2+][C@H]1CCc2ncnn2C1 ZINC000187836300 346627895 /nfs/dbraw/zinc/62/78/95/346627895.db2.gz BAXLRACJBGNONN-ZJUUUORDSA-N 1 0 224.308 0.465 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)N2CC[C@H]([NH3+])[C@@H]2C)O1 ZINC000380063574 365837075 /nfs/dbraw/zinc/83/70/75/365837075.db2.gz HKABOFPUTZCHFQ-XFWSIPNHSA-N 1 0 212.293 0.502 10 0 BCAERO CC(C)N(C)C(=O)CN1CCCC[C@H]1C[NH3+] ZINC000019843216 187370552 /nfs/dbraw/zinc/37/05/52/187370552.db2.gz OSCIUJGBSWUMJX-NSHDSACASA-N 1 0 227.352 0.666 10 0 BCAERO C[C@@H]([NH3+])CCNC(=O)COCC1CC1 ZINC000178699319 346709819 /nfs/dbraw/zinc/70/98/19/346709819.db2.gz XSCYLGANUGVGIT-MRVPVSSYSA-N 1 0 200.282 0.267 10 0 BCAERO [NH3+][C@@]1(C[C@@H]2CCCO2)CCS(=O)(=O)C1 ZINC000167463988 346709943 /nfs/dbraw/zinc/70/99/43/346709943.db2.gz ROILRGOMTZJBBI-DTWKUNHWSA-N 1 0 219.306 0.072 10 0 BCAERO CCOC(=O)[C@]1(N)CC[N@H+](C)[C@@H](C)C1 ZINC000226839976 346698826 /nfs/dbraw/zinc/69/88/26/346698826.db2.gz KXLOAVAULLJHJJ-WPRPVWTQSA-N 1 0 200.282 0.361 10 0 BCAERO Cc1cc(N)ccc1N[C@@H]1C[NH2+]C[C@@H]1O ZINC000206324984 346745607 /nfs/dbraw/zinc/74/56/07/346745607.db2.gz GZRYKLNSRFNOMH-MNOVXSKESA-N 1 0 207.277 0.322 10 0 BCAERO C[C@@H](CCCO)NC(=O)C[C@H]1CCC[NH2+]C1 ZINC000087359975 365865640 /nfs/dbraw/zinc/86/56/40/365865640.db2.gz XARLJBNQAVJTOY-WDEREUQCSA-N 1 0 228.336 0.653 10 0 BCAERO Cc1cccc(OCCS(=O)(=O)CC[NH3+])c1 ZINC000020399443 179170151 /nfs/dbraw/zinc/17/01/51/179170151.db2.gz VKIMUYAVWWMJBK-UHFFFAOYSA-N 1 0 243.328 0.747 10 0 BCAERO C[C@H]1C[C@H]([NH2+]CCn2cncn2)c2nccn21 ZINC000381743951 346796497 /nfs/dbraw/zinc/79/64/97/346796497.db2.gz ZYOSCJTXCVQVQN-UWVGGRQHSA-N 1 0 232.291 0.770 10 0 BCAERO Cc1cnn(CC[NH2+]Cc2cn[nH]c2)c1 ZINC000380212946 347144176 /nfs/dbraw/zinc/14/41/76/347144176.db2.gz ZZVDPFRJBXNFCK-UHFFFAOYSA-N 1 0 205.265 0.704 10 0 BCAERO CCOC(=O)[C@H](C)N1C[C@H](C)[C@H](C[NH3+])C1 ZINC000601325890 347210266 /nfs/dbraw/zinc/21/02/66/347210266.db2.gz HCJFQQSXCRKWLQ-LPEHRKFASA-N 1 0 214.309 0.465 10 0 BCAERO O=C1CCC[C@]2(C1)[NH2+]CCc1nc[nH]c12 ZINC000725242914 537987649 /nfs/dbraw/zinc/98/76/49/537987649.db2.gz ZUZVZBMYSBDWJX-LLVKDONJSA-N 1 0 205.261 0.894 10 0 BCAERO CCOC(=O)C(=O)N[C@@](C)(CC[NH3+])C(F)F ZINC000669380252 537987706 /nfs/dbraw/zinc/98/77/06/537987706.db2.gz KODLJAONGFXOMC-VIFPVBQESA-N 1 0 238.234 0.038 10 0 BCAERO CN(Cc1ccccc1)[C@@H]1C[NH2+]C[C@H]1O ZINC000250251564 362798339 /nfs/dbraw/zinc/79/83/39/362798339.db2.gz WGUJMAHZWGJPKY-VXGBXAGGSA-N 1 0 206.289 0.451 10 0 BCAERO CN([C@@H]1CCC[C@H]1C[NH3+])S(C)(=O)=O ZINC000250399604 362802933 /nfs/dbraw/zinc/80/29/33/362802933.db2.gz LZNJZNWEDWTRBL-JGVFFNPUSA-N 1 0 206.311 0.005 10 0 BCAERO CC(C)[N@H+](C)[C@H]1CC2(CC[C@H]1[NH3+])OCCO2 ZINC000250508589 362807191 /nfs/dbraw/zinc/80/71/91/362807191.db2.gz ODRXWHTZVQFKTP-MNOVXSKESA-N 1 0 228.336 0.950 10 0 BCAERO NC(=O)[C@@H]1CCC[N@@H+]1[C@H]1CCCC(=O)C1 ZINC000250673536 362815495 /nfs/dbraw/zinc/81/54/95/362815495.db2.gz VXDMFKFPZLDJIA-WPRPVWTQSA-N 1 0 210.277 0.448 10 0 BCAERO CCN[C@@]1(C(N)=O)CC[N@@H+]2CCC[C@H]2C1 ZINC000250639327 362814625 /nfs/dbraw/zinc/81/46/25/362814625.db2.gz MSDRSACYXBPLIX-ONGXEEELSA-N 1 0 211.309 0.078 10 0 BCAERO Cc1cccc2c1c(CC[NH3+])cn2CC(N)=O ZINC000068576859 179225022 /nfs/dbraw/zinc/22/50/22/179225022.db2.gz MIFLNNPSWVMVGN-UHFFFAOYSA-N 1 0 231.299 0.936 10 0 BCAERO CC1(C)C[S@](=O)[C@H]2COCC[C@H]2[NH2+]1 ZINC000250798393 362822328 /nfs/dbraw/zinc/82/23/28/362822328.db2.gz NJLLRRLONZOYTK-UJVNDKKSSA-N 1 0 203.307 0.274 10 0 BCAERO CC1(C)C[S@](=O)[C@@H]2COCC[C@H]2[NH2+]1 ZINC000250798390 362822476 /nfs/dbraw/zinc/82/24/76/362822476.db2.gz NJLLRRLONZOYTK-RBDZCENOSA-N 1 0 203.307 0.274 10 0 BCAERO CCCCOC[C@H](O)C[N@H+](CCO)C(C)C ZINC000193248995 347394297 /nfs/dbraw/zinc/39/42/97/347394297.db2.gz VNLLJHFWHGVMRN-GFCCVEGCSA-N 1 0 233.352 0.867 10 0 BCAERO C[C@H](O)C[N@H+](C)[C@@H]1CCCCC[C@H]1O ZINC000251056989 362834862 /nfs/dbraw/zinc/83/48/62/362834862.db2.gz BPXHSJRHAMVSEL-HBNTYKKESA-N 1 0 201.310 0.993 10 0 BCAERO O=C1CC[C@H]([NH2+]C[C@@H]2CCCC[C@@H]2O)CCN1 ZINC000396743719 362832332 /nfs/dbraw/zinc/83/23/32/362832332.db2.gz VRFYTUPBJVRNCF-SRVKXCTJSA-N 1 0 240.347 0.796 10 0 BCAERO O=c1c2ccc(F)cc2nc2n1CC[NH2+]CC2 ZINC000616568254 347444446 /nfs/dbraw/zinc/44/44/46/347444446.db2.gz ODTIVUVRXZBLBZ-UHFFFAOYSA-N 1 0 233.246 0.681 10 0 BCAERO COCC(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000616568323 347446010 /nfs/dbraw/zinc/44/60/10/347446010.db2.gz AOPZDGDFDZVVNC-OLZOCXBDSA-N 1 0 248.326 0.895 10 0 BCAERO CC(C)[N@H+](CCO)C[C@H](O)COC(C)(C)C ZINC000192927697 365883707 /nfs/dbraw/zinc/88/37/07/365883707.db2.gz KXEWTFONUCYCTH-NSHDSACASA-N 1 0 233.352 0.865 10 0 BCAERO CC(C)[C@H](CCO)[NH2+]C[C@H]1CNC(=O)O1 ZINC000380116998 365897007 /nfs/dbraw/zinc/89/70/07/365897007.db2.gz PRIXHAMCXRFSBR-IUCAKERBSA-N 1 0 216.281 0.091 10 0 BCAERO CC(C)=C[C@H]([NH3+])[C@H]1CCS(=O)(=O)C1 ZINC000149992951 347584081 /nfs/dbraw/zinc/58/40/81/347584081.db2.gz WYLHTYWWFNFZTD-IUCAKERBSA-N 1 0 203.307 0.715 10 0 BCAERO COCC(=O)N(C)C[C@H]1CC[N@H+](C)C1 ZINC000082432182 347592642 /nfs/dbraw/zinc/59/26/42/347592642.db2.gz XBCWIHTXOGTVDL-VIFPVBQESA-N 1 0 200.282 0.043 10 0 BCAERO CC(=O)N[C@@H](C[NH3+])C(F)(F)C(F)(F)F ZINC000669380773 537991814 /nfs/dbraw/zinc/99/18/14/537991814.db2.gz WHMSUMPXZYIIQN-BYPYZUCNSA-N 1 0 220.141 0.647 10 0 BCAERO COC(=O)c1ccc(NCC[C@H](C)[NH3+])nn1 ZINC000063171492 347662834 /nfs/dbraw/zinc/66/28/34/347662834.db2.gz QBXCCOZNPHYMHM-ZETCQYMHSA-N 1 0 224.264 0.412 10 0 BCAERO Cc1ccccc1C[NH2+]CC(=O)NC(N)=O ZINC000037855393 179280897 /nfs/dbraw/zinc/28/08/97/179280897.db2.gz UKBKYUHLWUJURF-UHFFFAOYSA-N 1 0 221.260 0.280 10 0 BCAERO CSC[C@H](C)NC(=O)[C@@H]1C[NH2+]CCOC1 ZINC000591615041 347678321 /nfs/dbraw/zinc/67/83/21/347678321.db2.gz DAWHTEFUKZHGTE-DTWKUNHWSA-N 1 0 232.349 0.090 10 0 BCAERO Cc1ncccc1C[NH2+]C1CCN(CCO)CC1 ZINC000591908861 347715152 /nfs/dbraw/zinc/71/51/52/347715152.db2.gz IWNOTRRCRKELMX-UHFFFAOYSA-N 1 0 249.358 0.936 10 0 BCAERO [NH3+][C@@H]1CC[C@H](n2cc(CCCO)nn2)C1 ZINC000669380888 537992208 /nfs/dbraw/zinc/99/22/08/537992208.db2.gz ZWFGSHCZBRYDBJ-SCZZXKLOSA-N 1 0 210.281 0.255 10 0 BCAERO Cc1ccccc1C[NH2+][C@@H]1CC(=O)NC1=O ZINC000105000161 179283161 /nfs/dbraw/zinc/28/31/61/179283161.db2.gz AZMWFXXLKJKJSY-SNVBAGLBSA-N 1 0 218.256 0.500 10 0 BCAERO C[NH2+][C@H](C)CNC(=O)CSC(C)C ZINC000308528564 347801582 /nfs/dbraw/zinc/80/15/82/347801582.db2.gz YQOXXIFITXNBLD-MRVPVSSYSA-N 1 0 204.339 0.852 10 0 BCAERO COC[C@@H](C)[NH2+]CCCCC(=O)OC ZINC000308576154 347874202 /nfs/dbraw/zinc/87/42/02/347874202.db2.gz DMVMVSZWVWWSLD-SECBINFHSA-N 1 0 203.282 0.954 10 0 BCAERO CCNC(=O)N1CCOC2(CCC([NH3+])CC2)C1 ZINC000725243669 537993306 /nfs/dbraw/zinc/99/33/06/537993306.db2.gz BSJONWKJFOWQJI-UHFFFAOYSA-N 1 0 241.335 0.688 10 0 BCAERO C[C@@H]1COC[C@@H](C)N1C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000577375116 365937181 /nfs/dbraw/zinc/93/71/81/365937181.db2.gz SPXVRXJVADUHOC-KYXWUPHJSA-N 1 0 212.293 0.360 10 0 BCAERO COC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)[C@H](C)[NH3+])C1 ZINC000593911754 347969901 /nfs/dbraw/zinc/96/99/01/347969901.db2.gz KESCVDUFENGTQF-LPEHRKFASA-N 1 0 242.319 0.381 10 0 BCAERO Cc1ccccc1[C@@H]([C@@H](C)[NH3+])N1CCNC(=O)C1 ZINC000043033574 179328482 /nfs/dbraw/zinc/32/84/82/179328482.db2.gz VNQBTFUGSMTGDA-BXUZGUMPSA-N 1 0 247.342 0.815 10 0 BCAERO CCCC(=O)NCC1([NH2+]C)CCOCC1 ZINC000669381430 537996421 /nfs/dbraw/zinc/99/64/21/537996421.db2.gz JPQDTPVYZNDJNE-UHFFFAOYSA-N 1 0 214.309 0.671 10 0 BCAERO CN(C1CC1)[C@H]1CC2(CC[C@@H]1[NH3+])OCCO2 ZINC000037080994 348016984 /nfs/dbraw/zinc/01/69/84/348016984.db2.gz ZQHGXQKSNGISRF-QWRGUYRKSA-N 1 0 226.320 0.704 10 0 BCAERO CCN1CC[NH+](CC[C@H]2CCC2=O)CC1 ZINC000669381731 537996920 /nfs/dbraw/zinc/99/69/20/537996920.db2.gz TWSCIINFZGJXSK-LLVKDONJSA-N 1 0 210.321 0.993 10 0 BCAERO COC(=O)C(=O)Nc1ccc(C)c(C[NH3+])c1C ZINC000616570793 348073802 /nfs/dbraw/zinc/07/38/02/348073802.db2.gz CQPSLAGJCYEUKW-UHFFFAOYSA-N 1 0 236.271 0.874 10 0 BCAERO Cc1ccccc1[C@H](C[NH3+])N1CCNC(=O)C1 ZINC000043033570 179342021 /nfs/dbraw/zinc/34/20/21/179342021.db2.gz UZOJUAQFMHBUHV-LBPRGKRZSA-N 1 0 233.315 0.427 10 0 BCAERO Cc1cccnc1C(=O)N1CCN(CC[NH3+])CC1 ZINC000051790543 179361382 /nfs/dbraw/zinc/36/13/82/179361382.db2.gz AEAXMIHYIYCZEF-UHFFFAOYSA-N 1 0 248.330 0.107 10 0 BCAERO [NH3+]C[C@@H](N1CCOC1=O)C(F)(F)C(F)(F)F ZINC000616571135 348148644 /nfs/dbraw/zinc/14/86/44/348148644.db2.gz VQAVNDJKRXUROG-SCSAIBSYSA-N 1 0 248.151 0.964 10 0 BCAERO OC[C@H]1C[C@@H](O)C[N@@H+]1CCCCCF ZINC000375294568 187387911 /nfs/dbraw/zinc/38/79/11/187387911.db2.gz BSRDXQBBNMXJIA-NXEZZACHSA-N 1 0 205.273 0.554 10 0 BCAERO C[C@@H]1C[NH2+]C[C@@]12CC1(CCC2=O)OCCO1 ZINC000725245017 537999995 /nfs/dbraw/zinc/99/99/95/537999995.db2.gz DESZJRBCRZCABX-KOLCDFICSA-N 1 0 225.288 0.708 10 0 BCAERO CCOC(=O)CC(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000616571291 348198293 /nfs/dbraw/zinc/19/82/93/348198293.db2.gz WQKOKXQQECKQAJ-RKDXNWHRSA-N 1 0 228.292 0.054 10 0 BCAERO CCSC1(CNC(=O)[C@@H](C)[NH2+]C)CC1 ZINC000595260103 348206385 /nfs/dbraw/zinc/20/63/85/348206385.db2.gz UUAGXHREHWCTSI-MRVPVSSYSA-N 1 0 216.350 0.996 10 0 BCAERO CC(C)[C@H](O)CNC(=O)c1ccc(C[NH3+])cc1 ZINC000169275243 187390153 /nfs/dbraw/zinc/39/01/53/187390153.db2.gz FBDKDKYEZBDMGN-GFCCVEGCSA-N 1 0 236.315 0.892 10 0 BCAERO CCC(CC)[NH2+]C[C@H](O)C(=O)N1CCCC1 ZINC000669381932 538000275 /nfs/dbraw/zinc/00/02/75/538000275.db2.gz ANXDDBFOEDMQCB-NSHDSACASA-N 1 0 228.336 0.748 10 0 BCAERO CCCNC(=O)CN1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261575880 535071974 /nfs/dbraw/zinc/07/19/74/535071974.db2.gz JZFRBCFCMLCGFK-DCAQKATOSA-N 1 0 225.336 0.182 10 0 BCAERO C[C@H]1C[NH2+]C[C@@]12CC1(CCC2=O)OCCO1 ZINC000725245020 538000321 /nfs/dbraw/zinc/00/03/21/538000321.db2.gz DESZJRBCRZCABX-ONGXEEELSA-N 1 0 225.288 0.708 10 0 BCAERO Cc1cccnc1NC(=O)[C@@H]1CC[NH2+]C1 ZINC000062112541 179391946 /nfs/dbraw/zinc/39/19/46/179391946.db2.gz SXSVSRVVCOXIAE-SECBINFHSA-N 1 0 205.261 0.938 10 0 BCAERO C[C@@H]1CC[S@](=O)[C@H]2COCC[C@@H]2[NH2+]1 ZINC000251556956 362885612 /nfs/dbraw/zinc/88/56/12/362885612.db2.gz CLQPTDYYBFCAOQ-LWIGBJQBSA-N 1 0 203.307 0.274 10 0 BCAERO C[C@H](CC(N)=S)[N@@H+]1CCN(C)[C@H](C)C1 ZINC000251548062 362885697 /nfs/dbraw/zinc/88/56/97/362885697.db2.gz BBTRJQQZNGTYPH-RKDXNWHRSA-N 1 0 215.366 0.687 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)NC2CC[NH2+]CC2)O1 ZINC000088140578 362905810 /nfs/dbraw/zinc/90/58/10/362905810.db2.gz VNKMWBPTHSOOIR-PSASIEDQSA-N 1 0 212.293 0.422 10 0 BCAERO CCc1cc(=O)[nH]c(N2CCC[NH2+]CC2)n1 ZINC000005985052 362907447 /nfs/dbraw/zinc/90/74/47/362907447.db2.gz JSRZOQXAKYVFPV-UHFFFAOYSA-N 1 0 222.292 0.132 10 0 BCAERO CCC[NH2+]CCNC(=O)[C@@H]1CC[C@H](C)O1 ZINC000088142078 362908097 /nfs/dbraw/zinc/90/80/97/362908097.db2.gz FVCFLOHDAIKDMN-UWVGGRQHSA-N 1 0 214.309 0.670 10 0 BCAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)NCc1cocn1 ZINC000397830696 362919884 /nfs/dbraw/zinc/91/98/84/362919884.db2.gz MVIHOHWIGFKLBD-VXNVDRBHSA-N 1 0 211.265 0.664 10 0 BCAERO C[C@H]1C[N@H+](CC(N)=S)C[C@H]1N(C)C ZINC000251707622 362900952 /nfs/dbraw/zinc/90/09/52/362900952.db2.gz JGFKWSLIOYKIAO-JGVFFNPUSA-N 1 0 201.339 0.154 10 0 BCAERO C[C@@H]1C[NH2+][C@@H]2CCS(=O)(=O)C[C@H]2S1 ZINC000251796905 362921181 /nfs/dbraw/zinc/92/11/81/362921181.db2.gz NSOOXEIXVSLFAF-BWZBUEFSSA-N 1 0 221.347 0.267 10 0 BCAERO Cc1c(C[NH2+]C[C@H]2COCCN2C)cnn1C ZINC000623711486 362927410 /nfs/dbraw/zinc/92/74/10/362927410.db2.gz GQGKQXGFGZCMIF-LBPRGKRZSA-N 1 0 238.335 0.149 10 0 BCAERO C[C@@H]1C[N@H+](C[C@H]2CCCC2=O)CCN1C ZINC000251819370 362928692 /nfs/dbraw/zinc/92/86/92/362928692.db2.gz OWMHIZDJWVRZMM-GHMZBOCLSA-N 1 0 210.321 0.992 10 0 BCAERO C[C@H](C(N)=S)[N@@H+]1CCN(C)[C@H](C)C1 ZINC000251820235 362928859 /nfs/dbraw/zinc/92/88/59/362928859.db2.gz OXBSGVFSBHNGEH-HTQZYQBOSA-N 1 0 201.339 0.297 10 0 BCAERO COCc1nc([C@H]2CC[NH2+]C2)cc(=O)[nH]1 ZINC000669383006 538006768 /nfs/dbraw/zinc/00/67/68/538006768.db2.gz QWWOVIZDMAFLQG-ZETCQYMHSA-N 1 0 209.249 0.406 10 0 BCAERO CN(C)C(=[NH2+])N1C=CN(C)/C1=C\[N+](=O)[O-] ZINC000584659320 490180323 /nfs/dbraw/zinc/18/03/23/490180323.db2.gz LYXNQQCXJNJRRZ-LKQSPQEQSA-N 1 0 211.225 0.277 10 0 BCAERO COC(=O)[C@@]1(Cl)O[C@@]1(C)CC[NH+](C)C ZINC000669383395 538007955 /nfs/dbraw/zinc/00/79/55/538007955.db2.gz PFPLGQSXVYVDKW-DTWKUNHWSA-N 1 0 221.684 0.835 10 0 BCAERO C[C@H]([NH3+])CC(=O)N[C@H]1CCC[C@H](O)C1 ZINC000037476472 348620478 /nfs/dbraw/zinc/62/04/78/348620478.db2.gz AFXBLAFLZXUNFW-CIUDSAMLSA-N 1 0 200.282 0.143 10 0 BCAERO COC(=O)C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000037489687 348622223 /nfs/dbraw/zinc/62/22/23/348622223.db2.gz LSRPHGYIHPRYKK-GHMZBOCLSA-N 1 0 227.304 0.785 10 0 BCAERO COC[C@H](C[NH2+]C[C@@H](O)C(C)(C)C)OC ZINC000308810983 348698575 /nfs/dbraw/zinc/69/85/75/348698575.db2.gz QHDQDDRNUQPEQK-VHSXEESVSA-N 1 0 219.325 0.644 10 0 BCAERO Cc1cnc2n(c1=O)[C@H](CC[NH3+])CS2 ZINC000083346693 179657942 /nfs/dbraw/zinc/65/79/42/179657942.db2.gz CZNYBSVNTMDIPE-SSDOTTSWSA-N 1 0 211.290 0.547 10 0 BCAERO OC[C@H]1COCCN1Cc1ccsc1 ZINC000159300987 350000713 /nfs/dbraw/zinc/00/07/13/350000713.db2.gz RIEDRCRQXSKKPG-JTQLQIEISA-N 1 0 213.302 0.941 10 0 BCAERO C[NH2+][C@H](C)C(=O)Nc1cccnc1-n1cncn1 ZINC000054076038 348877998 /nfs/dbraw/zinc/87/79/98/348877998.db2.gz QDSKHHSGROFKPU-MRVPVSSYSA-N 1 0 246.274 0.209 10 0 BCAERO C[NH2+][C@H](C)C(=O)N(C[C@H]1CCOC1)C1CC1 ZINC000054075566 348878083 /nfs/dbraw/zinc/87/80/83/348878083.db2.gz UXGHGXUCCRABCY-NXEZZACHSA-N 1 0 226.320 0.622 10 0 BCAERO C[NH2+][C@H](C)C(=O)N(C)CCc1ccncc1 ZINC000054074484 348889633 /nfs/dbraw/zinc/88/96/33/348889633.db2.gz SNMFHUZSKKMDMD-SNVBAGLBSA-N 1 0 221.304 0.690 10 0 BCAERO C[C@@H](CCCC[NH3+])NC(=O)c1nnc[nH]1 ZINC000308870117 348980344 /nfs/dbraw/zinc/98/03/44/348980344.db2.gz YPHREIDGGIVYOQ-ZETCQYMHSA-N 1 0 211.269 0.052 10 0 BCAERO Cc1cc([C@@H]2CC[NH2+]C[C@H]2N)cc(N)[nH+]1 ZINC000669385068 538019491 /nfs/dbraw/zinc/01/94/91/538019491.db2.gz WHMRVVYPAUIWCY-VHSXEESVSA-N 1 0 206.293 0.376 10 0 BCAERO CC(C)NC(=O)CNC(=O)C[C@H]1CCC[NH2+]C1 ZINC000054290885 348962846 /nfs/dbraw/zinc/96/28/46/348962846.db2.gz DOQWQAAICCOZCI-SNVBAGLBSA-N 1 0 241.335 0.017 10 0 BCAERO O=C(C[C@@H]1CCC[NH2+]C1)NC[C@H]1CCCOC1 ZINC000054292263 348963364 /nfs/dbraw/zinc/96/33/64/348963364.db2.gz HZFFWYYCBOITBI-NWDGAFQWSA-N 1 0 240.347 0.919 10 0 BCAERO O=C(C[C@@H]1CCC[NH2+]C1)NC[C@@H]1CCCOC1 ZINC000054292259 348963476 /nfs/dbraw/zinc/96/34/76/348963476.db2.gz HZFFWYYCBOITBI-RYUDHWBXSA-N 1 0 240.347 0.919 10 0 BCAERO O=C(C[C@H]1CCC[NH2+]C1)NC[C@@H]1CCCOC1 ZINC000054292258 348963607 /nfs/dbraw/zinc/96/36/07/348963607.db2.gz HZFFWYYCBOITBI-NEPJUHHUSA-N 1 0 240.347 0.919 10 0 BCAERO COC[C@@H](C)CNC(=O)C[C@H]1CCC[NH2+]C1 ZINC000054292432 348963969 /nfs/dbraw/zinc/96/39/69/348963969.db2.gz KNBOZKJUORJZQP-WDEREUQCSA-N 1 0 228.336 0.775 10 0 BCAERO CC(=O)N1CCCN(c2ccc(C[NH3+])cn2)CC1 ZINC000042613813 187431290 /nfs/dbraw/zinc/43/12/90/187431290.db2.gz NSIDYFJJMHSOTD-UHFFFAOYSA-N 1 0 248.330 0.599 10 0 BCAERO CCOC(=O)CCC(=O)N[C@H]1CC[C@@H]([NH3+])CC1 ZINC000616573743 349072768 /nfs/dbraw/zinc/07/27/68/349072768.db2.gz SRXCWMGNYCEGNW-AOOOYVTPSA-N 1 0 242.319 0.716 10 0 BCAERO CC(C)N(C)S(=O)(=O)N(C)[C@@H]1CCC[NH2+]C1 ZINC000042520290 187429985 /nfs/dbraw/zinc/42/99/85/187429985.db2.gz BNVCUZMKBPYXJU-SNVBAGLBSA-N 1 0 249.380 0.255 10 0 BCAERO CC[C@@H]1CC[NH2+]C[C@H]1NC(=O)C[NH+](C)C ZINC000616573231 349068075 /nfs/dbraw/zinc/06/80/75/349068075.db2.gz ZFYUAKWZHYNLAC-NXEZZACHSA-N 1 0 213.325 0.052 10 0 BCAERO CS(=O)(=O)N1CCCC[C@H]2[NH2+]CCC[C@H]21 ZINC000616577729 349119462 /nfs/dbraw/zinc/11/94/62/349119462.db2.gz IHDJZZBENKUYBD-NXEZZACHSA-N 1 0 232.349 0.553 10 0 BCAERO Cc1nc(N2CCN(C)C[C@H]2C[NH3+])sc1C ZINC000250957541 349180977 /nfs/dbraw/zinc/18/09/77/349180977.db2.gz LRYIGTQKWOPYMZ-SNVBAGLBSA-N 1 0 240.376 0.839 10 0 BCAERO C[NH2+][C@H](C)C(=O)N1CCN2CCCC[C@H]2C1 ZINC000251062438 349181742 /nfs/dbraw/zinc/18/17/42/349181742.db2.gz VSXQAZDAFREIJB-MNOVXSKESA-N 1 0 225.336 0.291 10 0 BCAERO C[NH2+][C@@H](C)C(=O)N1CCN2CCCC[C@H]2C1 ZINC000251062441 349181948 /nfs/dbraw/zinc/18/19/48/349181948.db2.gz VSXQAZDAFREIJB-QWRGUYRKSA-N 1 0 225.336 0.291 10 0 BCAERO C[NH2+][C@H](C)C[C@H](C)n1cc(S(C)(=O)=O)cn1 ZINC000725251762 538032292 /nfs/dbraw/zinc/03/22/92/538032292.db2.gz GQQWCKPKQQNSIC-BDAKNGLRSA-N 1 0 245.348 0.846 10 0 BCAERO Cc1nc(C)c(CNC(=O)[C@@H]2CC[NH2+]C2)o1 ZINC000382204155 349183832 /nfs/dbraw/zinc/18/38/32/349183832.db2.gz GXNHYQQTTFKHGA-SECBINFHSA-N 1 0 223.276 0.517 10 0 BCAERO C[C@@H]1C[C@@H](NC(=O)[C@H]2C[C@H](F)C[NH2+]2)C[C@H](C)O1 ZINC000249001082 349153142 /nfs/dbraw/zinc/15/31/42/349153142.db2.gz POCZMCUBLFRWJW-HPENLJRUSA-N 1 0 244.310 0.759 10 0 BCAERO CC[C@@H](CC(N)=[NH2+])n1cc(S(C)(=O)=O)cn1 ZINC000725251430 538029588 /nfs/dbraw/zinc/02/95/88/538029588.db2.gz HZYPSBZUXIOHDK-ZETCQYMHSA-N 1 0 244.320 0.564 10 0 BCAERO C[NH2+][C@@H]1CC[C@@H](n2cc(S(C)(=O)=O)cn2)C1 ZINC000725252268 538032919 /nfs/dbraw/zinc/03/29/19/538032919.db2.gz LHJPKPVQGIXPLC-RKDXNWHRSA-N 1 0 243.332 0.600 10 0 BCAERO CS(=O)(=O)c1cnn([C@@H]2CCCC[C@@H]2[NH3+])c1 ZINC000725252249 538033111 /nfs/dbraw/zinc/03/31/11/538033111.db2.gz LBZPVXHIMDQBLN-VHSXEESVSA-N 1 0 243.332 0.729 10 0 BCAERO CS(=O)(=O)c1cnn([C@@H]2CCCC[C@H]2[NH3+])c1 ZINC000725252242 538033173 /nfs/dbraw/zinc/03/31/73/538033173.db2.gz LBZPVXHIMDQBLN-NXEZZACHSA-N 1 0 243.332 0.729 10 0 BCAERO CC(C)S(=O)(=O)CCN1CCC[C@@H](C[NH3+])C1 ZINC000217933842 535092199 /nfs/dbraw/zinc/09/21/99/535092199.db2.gz XDRPQBPSRQQVKQ-NSHDSACASA-N 1 0 248.392 0.480 10 0 BCAERO CC(C)[NH2+]CCn1cc(S(C)(=O)=O)cn1 ZINC000725252872 538034865 /nfs/dbraw/zinc/03/48/65/538034865.db2.gz OZGVLXZMKJBGJN-UHFFFAOYSA-N 1 0 231.321 0.285 10 0 BCAERO CC[C@@H]([NH3+])[C@H](C)n1cc(S(C)(=O)=O)cn1 ZINC000725252580 538034063 /nfs/dbraw/zinc/03/40/63/538034063.db2.gz NPTWTDZAZUAZAC-IONNQARKSA-N 1 0 231.321 0.585 10 0 BCAERO C[NH+](C)[C@H]1CCN(C2N=NC(=S)S2)C1 ZINC000062968398 349293427 /nfs/dbraw/zinc/29/34/27/349293427.db2.gz AZLIAYGYEJBCPP-LURJTMIESA-N 1 0 230.362 0.967 10 0 BCAERO COCC[NH2+][C@H]1CCCN2CCSC[C@@H]12 ZINC000616580416 349257337 /nfs/dbraw/zinc/25/73/37/349257337.db2.gz XAFDGGLWXVSADA-QWRGUYRKSA-N 1 0 230.377 0.802 10 0 BCAERO COCC[NH2+][C@H]1CCCN2CCSC[C@H]12 ZINC000616580417 349257472 /nfs/dbraw/zinc/25/74/72/349257472.db2.gz XAFDGGLWXVSADA-WDEREUQCSA-N 1 0 230.377 0.802 10 0 BCAERO [NH3+]C[C@]1(O)CCN(c2ccc(F)cn2)C1 ZINC000616580640 349259046 /nfs/dbraw/zinc/25/90/46/349259046.db2.gz YRAIKQIHWQSJLD-SNVBAGLBSA-N 1 0 211.240 0.121 10 0 BCAERO CCOP(=O)(CC[NH2+]CCO)OCC ZINC000199735391 349282027 /nfs/dbraw/zinc/28/20/27/349282027.db2.gz ZZAYHRJTSHISLG-UHFFFAOYSA-N 1 0 225.225 0.834 10 0 BCAERO C[C@H]1OCC[C@H]1[NH2+][C@H]1CCCN(C)C1=O ZINC000382228797 349286328 /nfs/dbraw/zinc/28/63/28/349286328.db2.gz OZVVVQHPIRJWDQ-BBBLOLIVSA-N 1 0 212.293 0.374 10 0 BCAERO Cc1n[nH]cc1C[NH2+]C[C@H]1CCC[C@H]1O ZINC000084225363 179854972 /nfs/dbraw/zinc/85/49/72/179854972.db2.gz KAZKBZMIJHWTQV-MWLCHTKSSA-N 1 0 209.293 0.969 10 0 BCAERO CC[C@H](Cn1cc(S(C)(=O)=O)cn1)[NH2+]C ZINC000725253414 538038039 /nfs/dbraw/zinc/03/80/39/538038039.db2.gz VDQCGSRQTIXGQM-MRVPVSSYSA-N 1 0 231.321 0.285 10 0 BCAERO COCC[C@@H](CO)[NH2+][C@@H]1CCCC[C@H]1O ZINC000300840012 349357479 /nfs/dbraw/zinc/35/74/79/349357479.db2.gz JOEBTLPTMLWIGQ-HBNTYKKESA-N 1 0 217.309 0.277 10 0 BCAERO CC[NH2+]C[C@@H](O)c1c(C)cnn1COC ZINC000725253734 538039275 /nfs/dbraw/zinc/03/92/75/538039275.db2.gz WKIPENLVGLBGOK-SECBINFHSA-N 1 0 213.281 0.438 10 0 BCAERO CC[C@H](C)[C@H]([NH3+])Cn1cc(S(C)(=O)=O)cn1 ZINC000725253648 538039402 /nfs/dbraw/zinc/03/94/02/538039402.db2.gz YQECKLQNIITWKI-WCBMZHEXSA-N 1 0 245.348 0.660 10 0 BCAERO CO[C@H]1CNc2ccccc2N1CC[NH3+] ZINC000616583816 349321494 /nfs/dbraw/zinc/32/14/94/349321494.db2.gz FWXXHWQUOQMDEN-NSHDSACASA-N 1 0 207.277 0.850 10 0 BCAERO COC(=O)[C@H](C)NC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000601970189 349407944 /nfs/dbraw/zinc/40/79/44/349407944.db2.gz MVNTWSHHOCJYEJ-AUTRQRHGSA-N 1 0 240.303 0.054 10 0 BCAERO CNC(=O)CC[C@@]1(OC)CCC[NH2+]C1 ZINC000616590608 350015894 /nfs/dbraw/zinc/01/58/94/350015894.db2.gz JCVJSDWVKNZHJG-JTQLQIEISA-N 1 0 200.282 0.281 10 0 BCAERO COc1cccc(C(=O)N2CC[NH2+]C[C@H]2C)n1 ZINC000217845408 350074726 /nfs/dbraw/zinc/07/47/26/350074726.db2.gz PNJPLZRTOSDCMW-SECBINFHSA-N 1 0 235.287 0.524 10 0 BCAERO CC(C)N(C)C(=O)CN1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000069629493 191005205 /nfs/dbraw/zinc/00/52/05/191005205.db2.gz FTXPIKJOOYQHHN-GHMZBOCLSA-N 1 0 227.352 0.535 10 0 BCAERO Cc1nc(COC[C@H]2CCC[NH2+]C2)no1 ZINC000051815183 179979059 /nfs/dbraw/zinc/97/90/59/179979059.db2.gz VPTAESSJRUDJNQ-VIFPVBQESA-N 1 0 211.265 0.894 10 0 BCAERO CCCNC(=O)NC[C@H]([NH3+])C1CCOCC1 ZINC000725254836 538048766 /nfs/dbraw/zinc/04/87/66/538048766.db2.gz GFOFQEIFQFVTNZ-JTQLQIEISA-N 1 0 229.324 0.450 10 0 BCAERO CC(C)C(=[NH2+])NC[C@@H]1CCS(=O)(=O)C1 ZINC000062991132 350100717 /nfs/dbraw/zinc/10/07/17/350100717.db2.gz RQFCAUNQZYJQLO-QMMMGPOBSA-N 1 0 218.322 0.644 10 0 BCAERO C[C@H](O)C[C@H](C)[N@@H+]1CCN(C)[C@@H](C)C1 ZINC000218716209 350101352 /nfs/dbraw/zinc/10/13/52/350101352.db2.gz UBBCHGKWRTYXEV-DCAQKATOSA-N 1 0 200.326 0.782 10 0 BCAERO C[NH2+][C@H]1CCN(c2ccc(Cl)nn2)C1 ZINC000150277695 350110463 /nfs/dbraw/zinc/11/04/63/350110463.db2.gz BPHBWBXKACJMPF-ZETCQYMHSA-N 1 0 212.684 0.928 10 0 BCAERO Cc1nc(N2CCOCC2)sc1C[NH3+] ZINC000045206742 180002323 /nfs/dbraw/zinc/00/23/23/180002323.db2.gz DWFPMVLXSVBEPG-UHFFFAOYSA-N 1 0 213.306 0.747 10 0 BCAERO CN1C(=O)CC[C@H]([NH2+]C[C@H](O)C(C)(C)C)C1=O ZINC000302417493 350088599 /nfs/dbraw/zinc/08/85/99/350088599.db2.gz QHRJVEGXOBVRKN-IUCAKERBSA-N 1 0 242.319 0.130 10 0 BCAERO Cc1nc(NCC2CC[NH2+]CC2)[nH]c(=O)c1C ZINC000045946911 180017067 /nfs/dbraw/zinc/01/70/67/180017067.db2.gz ZXXMVBBIEHVOKU-UHFFFAOYSA-N 1 0 236.319 0.798 10 0 BCAERO [NH3+]Cc1ccc(F)c2c1C[NH2+][C@H](C(=O)[O-])C2 ZINC000725255897 538052671 /nfs/dbraw/zinc/05/26/71/538052671.db2.gz PGHMNVJPMKAUGN-JTQLQIEISA-N 1 0 224.235 0.383 10 0 BCAERO Cc1nc(SCC[NH3+])cn1CCO ZINC000005116446 180030784 /nfs/dbraw/zinc/03/07/84/180030784.db2.gz ZPFOMYNSYLEOTB-UHFFFAOYSA-N 1 0 201.295 0.235 10 0 BCAERO CC[NH2+][C@H](C(N)=O)[C@H](C)n1nccc1C ZINC000725255992 538054574 /nfs/dbraw/zinc/05/45/74/538054574.db2.gz OCINDUGJDXGYOV-IUCAKERBSA-N 1 0 210.281 0.216 10 0 BCAERO CC(C)(C)[C@@H](O)C[NH2+]C[C@H]1CCCS1(=O)=O ZINC000304246615 350150633 /nfs/dbraw/zinc/15/06/33/350150633.db2.gz POEDTKQHHGINCZ-ZJUUUORDSA-N 1 0 249.376 0.560 10 0 BCAERO CC1CCC2(CC1)[C@H]([NH3+])CS(=O)(=O)N2C ZINC000725256388 538055695 /nfs/dbraw/zinc/05/56/95/538055695.db2.gz IYIKPXIJXSTXQI-HWOCKDDLSA-N 1 0 232.349 0.538 10 0 BCAERO CCCC1(CCC)[C@H]([NH3+])CS(=O)(=O)N1C ZINC000725256378 538055748 /nfs/dbraw/zinc/05/57/48/538055748.db2.gz IKALMYUYNHGQPB-SECBINFHSA-N 1 0 234.365 0.928 10 0 BCAERO Cn1ccc(CC[NH2+]C[C@@H](O)C(C)(C)C)n1 ZINC000304226457 350145713 /nfs/dbraw/zinc/14/57/13/350145713.db2.gz JFSAKQSTVHOUCU-LLVKDONJSA-N 1 0 225.336 0.959 10 0 BCAERO C[NH2+][C@H](C(N)=O)[C@H](C)n1ncc(Cl)c1C ZINC000725255790 538053646 /nfs/dbraw/zinc/05/36/46/538053646.db2.gz AZWCGGNXNDIPLF-XPUUQOCRSA-N 1 0 230.699 0.479 10 0 BCAERO O=C1NCC[C@H]1[NH2+]C[C@@H]1CCSC1 ZINC000307259858 490343896 /nfs/dbraw/zinc/34/38/96/490343896.db2.gz CWHYWQVMDGLLNW-JGVFFNPUSA-N 1 0 200.307 0.218 10 0 BCAERO Cc1nc2ncc(C(=O)CC[NH+](C)C)c(C)n2n1 ZINC000072416272 180114295 /nfs/dbraw/zinc/11/42/95/180114295.db2.gz LELRRASDAIXTSR-UHFFFAOYSA-N 1 0 247.302 0.876 10 0 BCAERO Cc1nc[nH]c1C[NH2+][C@@H](C)C(=O)N(C)C ZINC000054794633 180121467 /nfs/dbraw/zinc/12/14/67/180121467.db2.gz AMRAONVXAWPTHP-QMMMGPOBSA-N 1 0 210.281 0.284 10 0 BCAERO Cc1nc[nH]c1C[NH2+][C@@H]1CCCNC1=O ZINC000054797447 180122490 /nfs/dbraw/zinc/12/24/90/180122490.db2.gz ZEYXUHMGDVHINN-MRVPVSSYSA-N 1 0 208.265 0.086 10 0 BCAERO Cc1ncc(C[NH2+][C@@H]2COC[C@H]2O)s1 ZINC000040997941 180155882 /nfs/dbraw/zinc/15/58/82/180155882.db2.gz IABNWTWLFZQVEC-RKDXNWHRSA-N 1 0 214.290 0.301 10 0 BCAERO Cc1ncc([C@H]2NC(=O)CC[C@H]2[NH3+])s1 ZINC000076643516 180175638 /nfs/dbraw/zinc/17/56/38/180175638.db2.gz UJXSIGRVTBOLPY-MUWHJKNJSA-N 1 0 211.290 0.730 10 0 BCAERO CC[S@](N)(=O)=Nc1ccnn1C1C[NH2+]C1 ZINC000725257943 538070051 /nfs/dbraw/zinc/07/00/51/538070051.db2.gz AIRRWCCXOWQNKI-OAHLLOKOSA-N 1 0 229.309 0.021 10 0 BCAERO C[C@H]1C[C@@H](NC(=O)[C@@H]2C[NH2+]C[C@H]2C)CO1 ZINC000402369827 350217430 /nfs/dbraw/zinc/21/74/30/350217430.db2.gz XWWAUGCRBLVGGQ-UTINFBMNSA-N 1 0 212.293 0.136 10 0 BCAERO Cc1ncccc1-c1nnc(CC[NH3+])o1 ZINC000083344173 180209055 /nfs/dbraw/zinc/20/90/55/180209055.db2.gz ZLZAZDPTRMAFSH-UHFFFAOYSA-N 1 0 204.233 0.941 10 0 BCAERO Cc1nccc(C[NH2+][C@H]2CCC[C@@H]2O)n1 ZINC000038037927 180192552 /nfs/dbraw/zinc/19/25/52/180192552.db2.gz ZBOWNILTKGCFKS-QWRGUYRKSA-N 1 0 207.277 0.788 10 0 BCAERO Cc1nccc(N2CC[C@@](C)(C[NH3+])C2)n1 ZINC000235971912 180194136 /nfs/dbraw/zinc/19/41/36/180194136.db2.gz IKLOONYXJXCZAH-NSHDSACASA-N 1 0 206.293 0.960 10 0 BCAERO Cc1nccc(CN2CC[NH2+]C[C@@H](C)C2)n1 ZINC000045007771 180183386 /nfs/dbraw/zinc/18/33/86/180183386.db2.gz LEFKEBISIKZPIU-SNVBAGLBSA-N 1 0 220.320 0.826 10 0 BCAERO C[C@H](O)C1CCN(C(=O)[C@H]2CC[NH2+][C@@H]2C)CC1 ZINC000230190631 490388275 /nfs/dbraw/zinc/38/82/75/490388275.db2.gz YXCRCWUWPGKAAQ-SCVCMEIPSA-N 1 0 240.347 0.604 10 0 BCAERO Nc1ccoc1C(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725258507 538074823 /nfs/dbraw/zinc/07/48/23/538074823.db2.gz QWZDQVNXIJQBBD-UHFFFAOYSA-N 1 0 247.258 0.455 10 0 BCAERO CN1CC[NH2+][C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000074941720 187443599 /nfs/dbraw/zinc/44/35/99/187443599.db2.gz ZXJIRAYROLCSLH-VIFPVBQESA-N 1 0 229.324 0.415 10 0 BCAERO CNc1ccnc2c1cnn2C1C[NH2+]C1 ZINC000725258881 538078056 /nfs/dbraw/zinc/07/80/56/538078056.db2.gz IMIXTONPEPZAEG-UHFFFAOYSA-N 1 0 203.249 0.617 10 0 BCAERO Nc1cnc2c(cnn2C2C[NH2+]C2)c1Cl ZINC000725258987 538078281 /nfs/dbraw/zinc/07/82/81/538078281.db2.gz KYPCDMILYCFQSJ-UHFFFAOYSA-N 1 0 223.667 0.811 10 0 BCAERO O=C1C[C@H](Nc2ccnn2C2C[NH2+]C2)CCCN1 ZINC000725258833 538078358 /nfs/dbraw/zinc/07/83/58/538078358.db2.gz FVQSPXSZOQBSAH-SECBINFHSA-N 1 0 249.318 0.108 10 0 BCAERO Cc1nccn1[C@H](c1cnn(C)c1)[C@H](C)[NH3+] ZINC000043232541 180272441 /nfs/dbraw/zinc/27/24/41/180272441.db2.gz PXWJIVHUVMBTSM-KWQFWETISA-N 1 0 219.292 0.862 10 0 BCAERO COC1(OC)CC[C@H](O)C[C@@H]1CC[NH3+] ZINC000725261659 538086807 /nfs/dbraw/zinc/08/68/07/538086807.db2.gz AOSFZDBTPGLOQA-IUCAKERBSA-N 1 0 203.282 0.485 10 0 BCAERO CN1CCO[C@H](C[N@H+](C)CCCCCO)C1 ZINC000223047095 350263971 /nfs/dbraw/zinc/26/39/71/350263971.db2.gz VBKKANKNFMWCFS-GFCCVEGCSA-N 1 0 230.352 0.411 10 0 BCAERO Cc1nccn1CC[NH2+][C@H]1CCC(=O)N[C@@H]1C ZINC000282274132 180262253 /nfs/dbraw/zinc/26/22/53/180262253.db2.gz HVDNBWYUBRKAIH-KOLCDFICSA-N 1 0 236.319 0.448 10 0 BCAERO Cc1nccn1C[C@H]1CCC[N@@H+]1[C@@H]1CCNC1=O ZINC000178208098 180268729 /nfs/dbraw/zinc/26/87/29/180268729.db2.gz WLEGFJWKVGQNLC-VXGBXAGGSA-N 1 0 248.330 0.544 10 0 BCAERO Cc1nccn1[C@H](c1cnn(C)c1)[C@@H](C)[NH3+] ZINC000043232535 180271687 /nfs/dbraw/zinc/27/16/87/180271687.db2.gz PXWJIVHUVMBTSM-KCJUWKMLSA-N 1 0 219.292 0.862 10 0 BCAERO Cc1nccn1[C@H](C)C(=O)N1CC[NH2+]CC1 ZINC000019429385 180271695 /nfs/dbraw/zinc/27/16/95/180271695.db2.gz CNVKRQKSMMMQSK-SECBINFHSA-N 1 0 222.292 0.184 10 0 BCAERO Cc1nccn1[C@H](C[NH3+])c1cnn(C)c1 ZINC000043232529 180272039 /nfs/dbraw/zinc/27/20/39/180272039.db2.gz RTVUOFZAWVFFAU-SNVBAGLBSA-N 1 0 205.265 0.473 10 0 BCAERO Cc1nccn1[C@@H]1CC2(CC[C@H]1[NH3+])OCCO2 ZINC000019256831 180272277 /nfs/dbraw/zinc/27/22/77/180272277.db2.gz YXISUKMQVJGIAG-GHMZBOCLSA-N 1 0 237.303 0.987 10 0 BCAERO Cc1ncn(Cc2cc(C[NH3+])no2)c1C ZINC000052593595 180287613 /nfs/dbraw/zinc/28/76/13/180287613.db2.gz DZNAIIVBBUVRAO-UHFFFAOYSA-N 1 0 206.249 0.995 10 0 BCAERO COCC[NH2+]C[C@H](O)COCc1ccccc1 ZINC000037849356 350287360 /nfs/dbraw/zinc/28/73/60/350287360.db2.gz SBCJOKGPNMTOGF-ZDUSSCGKSA-N 1 0 239.315 0.800 10 0 BCAERO C[C@H]([NH2+][C@H]1CCCCC[C@@H]1O)C(N)=O ZINC000037891202 350289770 /nfs/dbraw/zinc/28/97/70/350289770.db2.gz PVIPRRREBMNULX-CIUDSAMLSA-N 1 0 200.282 0.143 10 0 BCAERO Cc1ncoc1C(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000129456455 180298915 /nfs/dbraw/zinc/29/89/15/180298915.db2.gz IQARZCIEBPWJRK-IONNQARKSA-N 1 0 223.276 0.853 10 0 BCAERO Cc1ncoc1C(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000132784511 180300663 /nfs/dbraw/zinc/30/06/63/180300663.db2.gz KSWAEMKNRFFFGW-BDAKNGLRSA-N 1 0 223.276 0.840 10 0 BCAERO Cc1ncsc1C(=O)N1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000235328870 180303710 /nfs/dbraw/zinc/30/37/10/180303710.db2.gz BLIFNIUFIRULKA-SVRRBLITSA-N 1 0 225.317 0.871 10 0 BCAERO C[N@H+](C1CC1)[C@@H]1CCC[C@@](N)(C(N)=O)C1 ZINC000225515939 350364941 /nfs/dbraw/zinc/36/49/41/350364941.db2.gz ZERVHBFNAFVTAO-KOLCDFICSA-N 1 0 211.309 0.206 10 0 BCAERO Cc1ncsc1CC[N@@H+]1C[C@@H](O)C[C@@H]1CO ZINC000185153396 180308954 /nfs/dbraw/zinc/30/89/54/180308954.db2.gz LTWXXEPFJBWWON-ZJUUUORDSA-N 1 0 242.344 0.422 10 0 BCAERO Cc1nn(C)c(C)c1NC(=O)C(C)(C)[NH3+] ZINC000040925639 180342054 /nfs/dbraw/zinc/34/20/54/180342054.db2.gz IPFSTRXYQXAWQB-UHFFFAOYSA-N 1 0 210.281 0.713 10 0 BCAERO Cc1nn(C)c(C)c1NC(=O)[C@H]([NH3+])C(C)C ZINC000040856971 180343087 /nfs/dbraw/zinc/34/30/87/180343087.db2.gz GYXDSMQPXAPDNB-SECBINFHSA-N 1 0 224.308 0.959 10 0 BCAERO Cc1nn(C)c(C)c1[C@H]1[C@H]([NH3+])CC(=O)N1C ZINC000069797967 180349219 /nfs/dbraw/zinc/34/92/19/180349219.db2.gz JSRKDMFDGDISFS-LDYMZIIASA-N 1 0 222.292 0.267 10 0 BCAERO Cc1nn(C)c(N2CCOC[C@H]2C)c1C[NH3+] ZINC000035777867 180356924 /nfs/dbraw/zinc/35/69/24/180356924.db2.gz DMNKSZXWPUHGDK-MRVPVSSYSA-N 1 0 224.308 0.412 10 0 BCAERO Cc1nn(C)c(N[C@@H]2C[NH+]3CCC2CC3)c1N ZINC000036749078 180359920 /nfs/dbraw/zinc/35/99/20/180359920.db2.gz ZGOHDPSEYCLLAR-SNVBAGLBSA-N 1 0 235.335 0.817 10 0 BCAERO CO[C@]1(C[NH2+]C[C@H]2CCCC[C@H]2O)CCOC1 ZINC000393963426 350449816 /nfs/dbraw/zinc/44/98/16/350449816.db2.gz VTXHUXCGTMSQOA-UPJWGTAASA-N 1 0 243.347 0.933 10 0 BCAERO CC(C)CNC(=O)N1CC2(C[NH2+]C2)C(F)(F)C1 ZINC000725264902 538092961 /nfs/dbraw/zinc/09/29/61/538092961.db2.gz TUCULPGTRYWGGM-UHFFFAOYSA-N 1 0 247.289 0.893 10 0 BCAERO [NH3+]CCN1CCO[C@H](c2cccnn2)CC1 ZINC000616592342 350451022 /nfs/dbraw/zinc/45/10/22/350451022.db2.gz DCAGGFIRDBKQMS-NSHDSACASA-N 1 0 222.292 0.199 10 0 BCAERO Cc1nn(C)cc1C(=O)N1CCC[C@H]([NH3+])C1 ZINC000226021207 180366649 /nfs/dbraw/zinc/36/66/49/180366649.db2.gz SRSRWYJSVRPPNG-VIFPVBQESA-N 1 0 222.292 0.292 10 0 BCAERO Cc1nn(CC(=O)N(C)C2CC2)c(C)c1C[NH3+] ZINC000049306506 180384720 /nfs/dbraw/zinc/38/47/20/180384720.db2.gz YVQQYTCUSRMZHD-UHFFFAOYSA-N 1 0 236.319 0.579 10 0 BCAERO Cc1nnc(-n2cccn2)c(C[NH3+])c1C ZINC000040290477 180396037 /nfs/dbraw/zinc/39/60/37/180396037.db2.gz GQEUHNJVHMUPAT-UHFFFAOYSA-N 1 0 203.249 0.738 10 0 BCAERO Cc1nn2c(nnc2[C@H]2CCC[NH2+]2)s1 ZINC000082533254 180394412 /nfs/dbraw/zinc/39/44/12/180394412.db2.gz MMASAKMCBKZCIN-ZCFIWIBFSA-N 1 0 209.278 0.919 10 0 BCAERO Cc1nn2c(nnc2[C@@H]2CCC[NH2+]2)s1 ZINC000082533253 180395072 /nfs/dbraw/zinc/39/50/72/180395072.db2.gz MMASAKMCBKZCIN-LURJTMIESA-N 1 0 209.278 0.919 10 0 BCAERO Cc1nn(CCn2ccnc2)c(C)c1C[NH3+] ZINC000036868368 180388752 /nfs/dbraw/zinc/38/87/52/180388752.db2.gz LFFXFJUBQPUEKP-UHFFFAOYSA-N 1 0 219.292 0.855 10 0 BCAERO Cc1nnc(COCC2CC[NH2+]CC2)o1 ZINC000051814947 180415575 /nfs/dbraw/zinc/41/55/75/180415575.db2.gz UQKXBRVVYSIEHL-UHFFFAOYSA-N 1 0 211.265 0.894 10 0 BCAERO Cc1c(C[NH2+]C[C@@](C)(O)C2CC2)cnn1C ZINC000336648341 350567336 /nfs/dbraw/zinc/56/73/36/350567336.db2.gz CLXKFKQDZOVTAK-GFCCVEGCSA-N 1 0 223.320 0.979 10 0 BCAERO [NH3+]CCN1CCO[C@@H](c2cc[nH]n2)CC1 ZINC000616593644 350582709 /nfs/dbraw/zinc/58/27/09/350582709.db2.gz AIYDCIMCBPXZCT-SNVBAGLBSA-N 1 0 210.281 0.132 10 0 BCAERO CC(C)N1C(=O)N[C@@](C)([C@H]2CCC[NH2+]C2)C1=O ZINC000088611690 187453976 /nfs/dbraw/zinc/45/39/76/187453976.db2.gz CZBOIKUXBZPHCD-CABZTGNLSA-N 1 0 239.319 0.705 10 0 BCAERO OCC[N@@H+]1CCO[C@@H](c2cc[nH]n2)CC1 ZINC000616593735 350584220 /nfs/dbraw/zinc/58/42/20/350584220.db2.gz AVGYTJJQDMMLJU-SNVBAGLBSA-N 1 0 211.265 0.165 10 0 BCAERO C[NH2+][C@@H]1CC[C@@H](C(=O)N(C)C)[C@@H]1OC ZINC000616593690 350584316 /nfs/dbraw/zinc/58/43/16/350584316.db2.gz YLYCUMLSXLTHTE-HLTSFMKQSA-N 1 0 200.282 0.088 10 0 BCAERO C[NH+](C)CCc1nnc2cc(Cl)ncn21 ZINC000063012030 350596120 /nfs/dbraw/zinc/59/61/20/350596120.db2.gz ANPNLQPUADHZGO-UHFFFAOYSA-N 1 0 225.683 0.882 10 0 BCAERO Cc1ccnc(-c2cnnn2[C@H]2CC[NH2+]C2)n1 ZINC000725266199 538096220 /nfs/dbraw/zinc/09/62/20/538096220.db2.gz WDTHPQPGXSSMRO-VIFPVBQESA-N 1 0 230.275 0.578 10 0 BCAERO COCCCn1c2c(nc1N(C)C)C[NH2+]CC2 ZINC000725267247 538097385 /nfs/dbraw/zinc/09/73/85/538097385.db2.gz QBKHRRCZFPGZJN-UHFFFAOYSA-N 1 0 238.335 0.631 10 0 BCAERO Nc1ccccc1[C@H]1CCN(CC[NH3+])CCO1 ZINC000616595441 350607631 /nfs/dbraw/zinc/60/76/31/350607631.db2.gz MCGYTQAKUCFQHZ-CYBMUJFWSA-N 1 0 235.331 0.991 10 0 BCAERO [NH3+]CCN1CCOCC[C@H]1c1cccnc1 ZINC000616596955 350638431 /nfs/dbraw/zinc/63/84/31/350638431.db2.gz AYVMGGDBQMLXFG-LBPRGKRZSA-N 1 0 221.304 0.804 10 0 BCAERO [NH3+]CCN1CCOCC[C@H]1c1ccnnc1 ZINC000616596963 350638544 /nfs/dbraw/zinc/63/85/44/350638544.db2.gz BFSGKGAZFZKQPF-NSHDSACASA-N 1 0 222.292 0.199 10 0 BCAERO Cc1nnsc1C(=O)N(C)C1CC[NH2+]CC1 ZINC000036282780 180455050 /nfs/dbraw/zinc/45/50/50/180455050.db2.gz RFHVQZJQBJZMDW-UHFFFAOYSA-N 1 0 240.332 0.671 10 0 BCAERO NC(=O)c1ccccc1[C@@H]1COCCC[NH2+]1 ZINC000616597156 350641588 /nfs/dbraw/zinc/64/15/88/350641588.db2.gz NWDOJRGMFIJNSZ-NSHDSACASA-N 1 0 220.272 0.837 10 0 BCAERO CC(C)(CO)NC(=O)C[C@@H]1CCC[NH2+]1 ZINC000042166042 187460205 /nfs/dbraw/zinc/46/02/05/187460205.db2.gz SDKQBTUHMOUIKM-QMMMGPOBSA-N 1 0 200.282 0.016 10 0 BCAERO CC(C)[C@H](C)NS(=O)(=O)C1CC[NH2+]CC1 ZINC000049642707 187463932 /nfs/dbraw/zinc/46/39/32/187463932.db2.gz KMHUXEXLWZOLCR-VIFPVBQESA-N 1 0 234.365 0.702 10 0 BCAERO Cc1ccc(CCNC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)cc1 ZINC000158957648 191117087 /nfs/dbraw/zinc/11/70/87/191117087.db2.gz UIGVTOUMOIUEMI-OLZOCXBDSA-N 1 0 248.326 0.377 10 0 BCAERO Cc1noc(CNc2cc(N)cc[nH+]2)n1 ZINC000044988104 180489982 /nfs/dbraw/zinc/48/99/82/180489982.db2.gz GAAPKDVAOKUWBK-UHFFFAOYSA-N 1 0 205.221 0.967 10 0 BCAERO CC[C@@H](O)C[N@@H+]1C[C@H](C)[C@H](N(C)C)C1 ZINC000124748655 350712734 /nfs/dbraw/zinc/71/27/34/350712734.db2.gz HUHUVXFDFQMHAQ-HBNTYKKESA-N 1 0 200.326 0.639 10 0 BCAERO OCCc1ccccc1[C@H]1C[NH2+]CCOC1 ZINC000616598678 350684670 /nfs/dbraw/zinc/68/46/70/350684670.db2.gz PTOGHBBRCVIZMV-LBPRGKRZSA-N 1 0 221.300 0.925 10 0 BCAERO O=C1NCCN[C@]12CC[N@H+](Cc1ccccc1)C2 ZINC000051924774 350726882 /nfs/dbraw/zinc/72/68/82/350726882.db2.gz RTICKRNDRHFIOU-AWEZNQCLSA-N 1 0 245.326 0.351 10 0 BCAERO OCC[N@@H+]1CC[C@H](c2ccc(CO)cc2)C1 ZINC000616613938 350816681 /nfs/dbraw/zinc/81/66/81/350816681.db2.gz VTJXJLNSUXYXCL-ZDUSSCGKSA-N 1 0 221.300 0.961 10 0 BCAERO OCCN1CC[NH2+]C[C@H]1c1ccccc1CO ZINC000616604666 350793604 /nfs/dbraw/zinc/79/36/04/350793604.db2.gz MFMQPDLKFJHSPA-ZDUSSCGKSA-N 1 0 236.315 0.118 10 0 BCAERO c1ccc2c(c1)nncc2[C@@H]1C[NH2+]CCN1 ZINC000616603897 350795812 /nfs/dbraw/zinc/79/58/12/350795812.db2.gz RUGBCLAOSWGLBQ-LBPRGKRZSA-N 1 0 214.272 0.864 10 0 BCAERO NC(=O)c1ccc([C@@H]2CCCN2CC[NH3+])cc1 ZINC000616607720 350802252 /nfs/dbraw/zinc/80/22/52/350802252.db2.gz LVMQNPLEURCZHJ-LBPRGKRZSA-N 1 0 233.315 0.881 10 0 BCAERO Nc1ncccc1[C@@H]1CCC[N@@H+]1CCO ZINC000616608251 350804563 /nfs/dbraw/zinc/80/45/63/350804563.db2.gz QLCWAHHGLDMIES-JTQLQIEISA-N 1 0 207.277 0.793 10 0 BCAERO NC(=O)c1cccc([C@@H]2CC[N@H+](CCO)C2)c1 ZINC000616614414 350832496 /nfs/dbraw/zinc/83/24/96/350832496.db2.gz NOEZNYMQJBFENE-GFCCVEGCSA-N 1 0 234.299 0.567 10 0 BCAERO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(F)(F)F)C1 ZINC000159518094 350836069 /nfs/dbraw/zinc/83/60/69/350836069.db2.gz HBGFSRBQOQLDCS-WDSKDSINSA-N 1 0 210.199 0.744 10 0 BCAERO C[NH2+][C@@H](C)C(=O)N[C@@H]1CCOC1(C)C ZINC000306702074 350850908 /nfs/dbraw/zinc/85/09/08/350850908.db2.gz LTMUGRHXFLKMQD-JGVFFNPUSA-N 1 0 200.282 0.278 10 0 BCAERO CC[C@@H](C)C[N@H+](C)CCN(C)CCO ZINC000623091016 350863548 /nfs/dbraw/zinc/86/35/48/350863548.db2.gz KEBRBAQXQIMKLJ-LLVKDONJSA-N 1 0 202.342 0.888 10 0 BCAERO OCC[N@H+](CC[C@@H](O)CO)Cc1ccccc1 ZINC000306676589 350828564 /nfs/dbraw/zinc/82/85/64/350828564.db2.gz WNWDBBHPHBEWNI-CYBMUJFWSA-N 1 0 239.315 0.224 10 0 BCAERO Cc1nnsc1CN1C[C@H]([NH3+])[C@@H](C)C1 ZINC000306728355 350899462 /nfs/dbraw/zinc/89/94/62/350899462.db2.gz NOEZWKVBTIHAFC-XPUUQOCRSA-N 1 0 212.322 0.626 10 0 BCAERO CC1(C)SC[C@@H]1N1CC[C@H]([NH3+])C1=O ZINC000306732744 350902688 /nfs/dbraw/zinc/90/26/88/350902688.db2.gz HJFRVYOZLJARJA-BQBZGAKWSA-N 1 0 200.307 0.440 10 0 BCAERO C[C@@H](C(N)=S)[N@@H+]1C[C@@H](O)CC[C@@H]1C ZINC000401960245 362987847 /nfs/dbraw/zinc/98/78/47/362987847.db2.gz VIECWEAVTSIYSE-FXQIFTODSA-N 1 0 202.323 0.506 10 0 BCAERO C[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)C(F)(F)F ZINC000252177401 350909629 /nfs/dbraw/zinc/90/96/29/350909629.db2.gz SGNOFLHYSLBUQE-DSYKOEDSSA-N 1 0 222.210 0.758 10 0 BCAERO CN(C1CC1)[C@H]1CC2(CC[C@H]1[NH3+])OCCO2 ZINC000252438131 350911657 /nfs/dbraw/zinc/91/16/57/350911657.db2.gz ZQHGXQKSNGISRF-MNOVXSKESA-N 1 0 226.320 0.704 10 0 BCAERO C[C@@H]1[C@@H]2C[NH2+]C[C@H]2CN1C(=O)C(F)(F)F ZINC000252558902 350913188 /nfs/dbraw/zinc/91/31/88/350913188.db2.gz PUSGMIOZOHFUJL-VQVTYTSYSA-N 1 0 222.210 0.615 10 0 BCAERO CN([C@H]1CCCC[C@H]1C[NH3+])S(C)(=O)=O ZINC000252679001 350913864 /nfs/dbraw/zinc/91/38/64/350913864.db2.gz WMGOANPMYQNXQW-IUCAKERBSA-N 1 0 220.338 0.395 10 0 BCAERO C[C@@H]1C[S@](=O)C[C@@H]([C@H]2CCOC2)[NH2+]1 ZINC000252831202 350916521 /nfs/dbraw/zinc/91/65/21/350916521.db2.gz MDRFDXJCYAQKBE-LWIGBJQBSA-N 1 0 203.307 0.132 10 0 BCAERO C[C@H](C(N)=S)[N@@H+]1CCC[C@](C)(O)C1 ZINC000253081560 350919011 /nfs/dbraw/zinc/91/90/11/350919011.db2.gz WKGOHNSRFHXBRZ-APPZFPTMSA-N 1 0 202.323 0.508 10 0 BCAERO C[C@H]([C@@]1([NH3+])[C@@H]2CCC[C@@H]21)S(C)(=O)=O ZINC000253167234 350919689 /nfs/dbraw/zinc/91/96/89/350919689.db2.gz WAGBTJAYDYDQSN-LURQLKTLSA-N 1 0 203.307 0.547 10 0 BCAERO [NH3+]CCN1CCC(c2ccncn2)CC1 ZINC000616619114 350926608 /nfs/dbraw/zinc/92/66/08/350926608.db2.gz DJXTZJULQDFGIH-UHFFFAOYSA-N 1 0 206.293 0.615 10 0 BCAERO NC(=O)c1ccc(C2CC[NH+](CCO)CC2)cc1 ZINC000616619088 350926821 /nfs/dbraw/zinc/92/68/21/350926821.db2.gz BNQYGURWJGSEFC-UHFFFAOYSA-N 1 0 248.326 0.957 10 0 BCAERO Nc1cccc(C2CC[NH+](CCO)CC2)n1 ZINC000616619514 350927514 /nfs/dbraw/zinc/92/75/14/350927514.db2.gz KRPBHHSHGGZLEJ-UHFFFAOYSA-N 1 0 221.304 0.836 10 0 BCAERO [NH3+]CCN(Cc1ccccc1)[C@H]1COC[C@H]1O ZINC000306748416 350934341 /nfs/dbraw/zinc/93/43/41/350934341.db2.gz KZYGUGTXYLNLPR-QWHCGFSZSA-N 1 0 236.315 0.207 10 0 BCAERO C[C@@H]([NH3+])CNC(=O)[C@H]1CCCC1(F)F ZINC000306713962 350874133 /nfs/dbraw/zinc/87/41/33/350874133.db2.gz WAUCTHCUPBZMAR-RNFRBKRXSA-N 1 0 206.236 0.885 10 0 BCAERO CC(C)(C)NC(=[NH2+])NC(C)(C)C(N)=O ZINC000052043254 350895801 /nfs/dbraw/zinc/89/58/01/350895801.db2.gz VBFRMXXWLKIACT-UHFFFAOYSA-N 1 0 200.286 0.163 10 0 BCAERO CC1(C)CCN(C(N)=[NH2+])CC[S@]1=O ZINC000306755983 350968553 /nfs/dbraw/zinc/96/85/53/350968553.db2.gz PUJIGGHACRZQMU-CYBMUJFWSA-N 1 0 203.311 0.113 10 0 BCAERO C[C@H](Cn1ccc(=O)[nH]c1=S)[NH+](C)C ZINC000052313196 350979867 /nfs/dbraw/zinc/97/98/67/350979867.db2.gz JRTJSAXUKAHZHS-SSDOTTSWSA-N 1 0 213.306 0.856 10 0 BCAERO [NH3+]C1(C(=O)N[C@@H]2CCC(F)(F)C2)CC1 ZINC000306763992 350994911 /nfs/dbraw/zinc/99/49/11/350994911.db2.gz GWIUFNQCQCFTJU-ZCFIWIBFSA-N 1 0 204.220 0.782 10 0 BCAERO CCC[S@](=O)N1[C@H](C)C[NH2+]C[C@H]1C ZINC000306769157 351001863 /nfs/dbraw/zinc/00/18/63/351001863.db2.gz BANZUBXSPBTARR-KKFJDGPESA-N 1 0 204.339 0.742 10 0 BCAERO Cn1nncc1C(=O)[C@H]1CCCCC[NH2+]1 ZINC000129196204 351006909 /nfs/dbraw/zinc/00/69/09/351006909.db2.gz VIBMYNNZTORWKC-MRVPVSSYSA-N 1 0 208.265 0.530 10 0 BCAERO CC[C@H](O)CN1CC[S@@](=O)C[C@H]1C ZINC000306779663 351019730 /nfs/dbraw/zinc/01/97/30/351019730.db2.gz YGVOHEWLQRUMDT-VYUIOLGVSA-N 1 0 205.323 0.210 10 0 BCAERO C[C@H](CNc1cc[nH+]c(N)n1)[S@@](C)=O ZINC000228677858 351024071 /nfs/dbraw/zinc/02/40/71/351024071.db2.gz NKNCVUPGGAWIKL-RWBAJPLHSA-N 1 0 214.294 0.238 10 0 BCAERO C[C@@H]1C[NH2+]CC[C@H]1C(=O)Cc1csnn1 ZINC000306808571 351061079 /nfs/dbraw/zinc/06/10/79/351061079.db2.gz PLUBAWXPGWYYMK-VXNVDRBHSA-N 1 0 225.317 0.895 10 0 BCAERO CC[N@@H+]1CCC[C@H](S(N)(=O)=O)CC1 ZINC000616626862 351106698 /nfs/dbraw/zinc/10/66/98/351106698.db2.gz CSODAKQUENOPKA-QMMMGPOBSA-N 1 0 206.311 0.149 10 0 BCAERO CCN1CC[NH2+][C@H](CNC(=O)OC(C)(C)C)C1 ZINC000616631950 351109763 /nfs/dbraw/zinc/10/97/63/351109763.db2.gz AZYVJDTUTZSLMG-SNVBAGLBSA-N 1 0 243.351 0.805 10 0 BCAERO Nc1ccccc1[C@H]1CN(CCO)CC[NH2+]1 ZINC000616632104 351109840 /nfs/dbraw/zinc/10/98/40/351109840.db2.gz LMSXJOHOHNNZFJ-GFCCVEGCSA-N 1 0 221.304 0.207 10 0 BCAERO CN1CC[NH2+][C@H](c2cccc(CO)c2)C1 ZINC000616632399 351111380 /nfs/dbraw/zinc/11/13/80/351111380.db2.gz IGGOJCRTRJNITG-LBPRGKRZSA-N 1 0 206.289 0.755 10 0 BCAERO CC(=O)N1CCN[C@H](c2ccc(CO)cc2)C1 ZINC000616635080 351118683 /nfs/dbraw/zinc/11/86/83/351118683.db2.gz LETDVNYGAJFJHV-ZDUSSCGKSA-N 1 0 234.299 0.672 10 0 BCAERO c1n[nH]nc1[C@@H]1C[NH2+]CCN1Cc1ccccc1 ZINC000616635098 351118707 /nfs/dbraw/zinc/11/87/07/351118707.db2.gz AESCXUAXUZYUSH-ZDUSSCGKSA-N 1 0 243.314 0.951 10 0 BCAERO OCCN1CC[NH2+]C[C@H]1c1ccc(CO)cc1 ZINC000616635778 351121025 /nfs/dbraw/zinc/12/10/25/351121025.db2.gz MIBJSIGQUJSNHD-ZDUSSCGKSA-N 1 0 236.315 0.118 10 0 BCAERO CC(C)C[S@](=O)[C@@H]1C[NH2+]CC[C@@]1(C)O ZINC000306821178 351126969 /nfs/dbraw/zinc/12/69/69/351126969.db2.gz JUGBVSDDQDFQFW-RULNRJAQSA-N 1 0 219.350 0.504 10 0 BCAERO C[C@H](Cn1ccnc1)NC(=O)[C@@]1(C)CCC[NH2+]1 ZINC000079512274 351067644 /nfs/dbraw/zinc/06/76/44/351067644.db2.gz WPDVDBUGULFCQJ-ZYHUDNBSSA-N 1 0 236.319 0.530 10 0 BCAERO COC(=O)[C@@H](C)CN(C)C(=O)[C@@]1(C)CCC[NH2+]1 ZINC000079518193 351070275 /nfs/dbraw/zinc/07/02/75/351070275.db2.gz XJTHLTBIJIAUAJ-JOYOIKCWSA-N 1 0 242.319 0.396 10 0 BCAERO C[C@]1(C(=O)N2CCn3ccnc3C2)CCC[NH2+]1 ZINC000079521315 351071109 /nfs/dbraw/zinc/07/11/09/351071109.db2.gz XQICOGZFPACAOH-GFCCVEGCSA-N 1 0 234.303 0.367 10 0 BCAERO [NH3+]CCN1CCCC[C@@H](c2c[nH]cn2)C1 ZINC000616628344 351097410 /nfs/dbraw/zinc/09/74/10/351097410.db2.gz JSAAYVGOIBYPDW-SNVBAGLBSA-N 1 0 208.309 0.938 10 0 BCAERO c1ccc2nnc([C@H]3C[NH2+]CCN3)cc2c1 ZINC000616628890 351099447 /nfs/dbraw/zinc/09/94/47/351099447.db2.gz FWWSHRKKAFBGDI-GFCCVEGCSA-N 1 0 214.272 0.864 10 0 BCAERO OCC[N@@H+]1CCC[C@@H](c2cn[nH]c2)CC1 ZINC000616629227 351100015 /nfs/dbraw/zinc/10/00/15/351100015.db2.gz UKMWMBQUDNBQFR-SNVBAGLBSA-N 1 0 209.293 0.972 10 0 BCAERO Cc1nnsc1[C@H]1OC[C@@H](C[NH3+])O1 ZINC000306838602 351148670 /nfs/dbraw/zinc/14/86/70/351148670.db2.gz XKRHOXYWBDPIIT-VDTYLAMSSA-N 1 0 201.251 0.219 10 0 BCAERO [NH3+]CCN1CCCOC[C@H]1c1ncc[nH]1 ZINC000616644715 351161965 /nfs/dbraw/zinc/16/19/65/351161965.db2.gz GVEMXWINRALNNC-VIFPVBQESA-N 1 0 210.281 0.132 10 0 BCAERO [NH3+]CCN1CCCOC[C@H]1c1cc[nH]n1 ZINC000616644477 351163522 /nfs/dbraw/zinc/16/35/22/351163522.db2.gz DHWDKOUPLQTKBJ-JTQLQIEISA-N 1 0 210.281 0.132 10 0 BCAERO O=c1[nH]c(CNC2=[NH+]CCS2)cs1 ZINC000231711212 351163544 /nfs/dbraw/zinc/16/35/44/351163544.db2.gz QHIAVMBFRWEDEQ-UHFFFAOYSA-N 1 0 215.303 0.629 10 0 BCAERO [NH3+]CCN1CCO[C@@H](Nc2ccccn2)C1 ZINC000616647005 351164225 /nfs/dbraw/zinc/16/42/25/351164225.db2.gz RBPOZFFRACRFGM-LLVKDONJSA-N 1 0 222.292 0.111 10 0 BCAERO Nc1cccc([C@@H]2COCCCN2CC[NH3+])n1 ZINC000616645562 351168703 /nfs/dbraw/zinc/16/87/03/351168703.db2.gz OWBOUISYTDLPNC-NSHDSACASA-N 1 0 236.319 0.386 10 0 BCAERO Nc1ncccc1[C@H]1CN(CCO)CCO1 ZINC000616645911 351169565 /nfs/dbraw/zinc/16/95/65/351169565.db2.gz VCWDUUQTADYYKQ-SNVBAGLBSA-N 1 0 223.276 0.029 10 0 BCAERO Nc1cccc([C@H]2COCCCN2CC[NH3+])n1 ZINC000616646162 351170545 /nfs/dbraw/zinc/17/05/45/351170545.db2.gz OWBOUISYTDLPNC-LLVKDONJSA-N 1 0 236.319 0.386 10 0 BCAERO [NH3+]CCN1CCO[C@@H](c2cccc(CO)c2)C1 ZINC000616646814 351171963 /nfs/dbraw/zinc/17/19/63/351171963.db2.gz NCSPUNUOTKPHOG-CYBMUJFWSA-N 1 0 236.315 0.511 10 0 BCAERO CCOC(=O)N1CCCO[C@H]([NH2+]C)C1 ZINC000616651619 351183450 /nfs/dbraw/zinc/18/34/50/351183450.db2.gz NPRNFSJDVCCDDI-QMMMGPOBSA-N 1 0 202.254 0.411 10 0 BCAERO [NH3+]CCN1CCCO[C@@H](OC(F)(F)F)C1 ZINC000616652611 351186024 /nfs/dbraw/zinc/18/60/24/351186024.db2.gz HLMZMFMZMLPSHG-ZETCQYMHSA-N 1 0 228.214 0.530 10 0 BCAERO NC(=O)c1ccccc1[C@H]1C[NH2+]CCCO1 ZINC000616651737 351189209 /nfs/dbraw/zinc/18/92/09/351189209.db2.gz RCYXMBTVRPIIOC-LLVKDONJSA-N 1 0 220.272 0.837 10 0 BCAERO OCC[N@@H+]1CCCC[C@@H](c2cnno2)C1 ZINC000616654051 351194807 /nfs/dbraw/zinc/19/48/07/351194807.db2.gz KPSDHNAZUWVSKE-SECBINFHSA-N 1 0 211.265 0.631 10 0 BCAERO CC(C)(C)OC(=O)N1CCCO[C@H]([NH3+])C1 ZINC000616652341 351190751 /nfs/dbraw/zinc/19/07/51/351190751.db2.gz KSRCCQVSCZMZSX-QMMMGPOBSA-N 1 0 216.281 0.929 10 0 BCAERO COC(=O)N1CC[NH2+]C[C@@H]1c1cccc(N)c1 ZINC000616637067 351129843 /nfs/dbraw/zinc/12/98/43/351129843.db2.gz QYLRIDWBOKHLKA-LLVKDONJSA-N 1 0 235.287 0.982 10 0 BCAERO NC(=O)c1ccc([C@@H]2C[NH2+]CCCO2)cc1 ZINC000616652242 351191241 /nfs/dbraw/zinc/19/12/41/351191241.db2.gz JRATUMQIYZVWMK-NSHDSACASA-N 1 0 220.272 0.837 10 0 BCAERO CC(C)(C)OC(=O)NCCN1CC[NH2+]C[C@@H]1F ZINC000616637583 351135052 /nfs/dbraw/zinc/13/50/52/351135052.db2.gz ZMPOBCHRBLUQQR-SECBINFHSA-N 1 0 247.314 0.712 10 0 BCAERO CNc1ccc([C@@H]2C[NH2+]CCN2C(N)=O)cc1 ZINC000616639230 351141174 /nfs/dbraw/zinc/14/11/74/351141174.db2.gz RAOGFSWVCHCYBM-NSHDSACASA-N 1 0 234.303 0.753 10 0 BCAERO CCC[C@H]([NH3+])C(=O)NCCOC(F)(F)F ZINC000398123977 363016354 /nfs/dbraw/zinc/01/63/54/363016354.db2.gz JZUQWLDPTZANLB-LURJTMIESA-N 1 0 228.214 0.766 10 0 BCAERO C[NH2+][C@H]1Cc2ccccc2N(CCO)C1 ZINC000616672343 351234929 /nfs/dbraw/zinc/23/49/29/351234929.db2.gz IQHALDTYJDYUOU-NSHDSACASA-N 1 0 206.289 0.629 10 0 BCAERO [NH3+]CC[C@H]1CNc2ccccc2N1CCO ZINC000616684729 351255607 /nfs/dbraw/zinc/25/56/07/351255607.db2.gz NWUQXSHVLQBFLY-JTQLQIEISA-N 1 0 221.304 0.628 10 0 BCAERO [NH3+]CCN1CCCO[C@@H](c2cnco2)C1 ZINC000616654631 351196815 /nfs/dbraw/zinc/19/68/15/351196815.db2.gz KFLZODBSCVMWQM-SNVBAGLBSA-N 1 0 211.265 0.397 10 0 BCAERO [NH3+]CCN1CCOCC[C@H]1OC(F)(F)F ZINC000616655759 351200337 /nfs/dbraw/zinc/20/03/37/351200337.db2.gz AOSXGMMSFPDPGR-SSDOTTSWSA-N 1 0 228.214 0.530 10 0 BCAERO [NH3+]CCN1CCOCC[C@@H]1c1ccccn1 ZINC000616656537 351203126 /nfs/dbraw/zinc/20/31/26/351203126.db2.gz DKVGBWIDISRCGU-GFCCVEGCSA-N 1 0 221.304 0.804 10 0 BCAERO CNC(=S)N1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000306859645 351204178 /nfs/dbraw/zinc/20/41/78/351204178.db2.gz BVXQABIGBQQELU-DTWKUNHWSA-N 1 0 213.350 0.374 10 0 BCAERO [NH3+]CCN1CCOC[C@@H](c2cocn2)C1 ZINC000616659283 351206943 /nfs/dbraw/zinc/20/69/43/351206943.db2.gz FGZRERRIOCHYRT-VIFPVBQESA-N 1 0 211.265 0.049 10 0 BCAERO CC(C)[N@@H+]1CCOC[C@@H](c2conn2)C1 ZINC000616661580 351211028 /nfs/dbraw/zinc/21/10/28/351211028.db2.gz UOKRWZRZMDOIKM-VIFPVBQESA-N 1 0 211.265 0.894 10 0 BCAERO COC(=O)N1CCOC[C@@H]([NH+](C)C)C1 ZINC000616661900 351211650 /nfs/dbraw/zinc/21/16/50/351211650.db2.gz VBYYMXISIXEHLA-QMMMGPOBSA-N 1 0 202.254 0.015 10 0 BCAERO COC(=O)N1CCO[C@H](c2c[nH]cn2)CC1 ZINC000616662847 351218866 /nfs/dbraw/zinc/21/88/66/351218866.db2.gz ANWNGGGGMHKXSU-VIFPVBQESA-N 1 0 225.248 0.940 10 0 BCAERO [NH3+]CCN1CCOC[C@H](c2cocn2)C1 ZINC000616662742 351219296 /nfs/dbraw/zinc/21/92/96/351219296.db2.gz FGZRERRIOCHYRT-SECBINFHSA-N 1 0 211.265 0.049 10 0 BCAERO Nc1ncccc1[C@@H]1CCN(CC[NH3+])CCO1 ZINC000616665590 351223464 /nfs/dbraw/zinc/22/34/64/351223464.db2.gz NGYVXAZDUVWBLY-NSHDSACASA-N 1 0 236.319 0.386 10 0 BCAERO OCC[N@@H+]1CCO[C@H](c2ncc[nH]2)CC1 ZINC000616665718 351223530 /nfs/dbraw/zinc/22/35/30/351223530.db2.gz UZWYKMKXGZIZQJ-VIFPVBQESA-N 1 0 211.265 0.165 10 0 BCAERO CS(=O)(=O)N[C@H]1CCCCC[C@H]1[NH3+] ZINC000063213932 351281106 /nfs/dbraw/zinc/28/11/06/351281106.db2.gz KPENKMDGTUDMQX-SFYZADRCSA-N 1 0 206.311 0.196 10 0 BCAERO C[C@@H]([NH3+])C(=O)N[C@H](C)[C@H]1CCCOC1 ZINC000306883872 351289425 /nfs/dbraw/zinc/28/94/25/351289425.db2.gz PPAMHSCPJNTBED-HLTSFMKQSA-N 1 0 200.282 0.265 10 0 BCAERO CO[C@@H]1C[N@@H+]([C@@H]2CCCCC2=O)C[C@H]1O ZINC000306886145 351293020 /nfs/dbraw/zinc/29/30/20/351293020.db2.gz SDLPDMIOQDBFNU-FBIMIBRVSA-N 1 0 213.277 0.190 10 0 BCAERO Cc1nc(CSC2=[NH+]C[C@@H](C)N2)no1 ZINC000306886599 351293257 /nfs/dbraw/zinc/29/32/57/351293257.db2.gz SRPVMFXTHPTSAU-RXMQYKEDSA-N 1 0 212.278 0.959 10 0 BCAERO CC(C)S(=O)(=O)N1CCSC[C@@H]1C[NH3+] ZINC000306875217 351268950 /nfs/dbraw/zinc/26/89/50/351268950.db2.gz GOCJCFPCBXWELG-QMMMGPOBSA-N 1 0 238.378 0.101 10 0 BCAERO CC[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1[NH2+]C ZINC000168070659 351278374 /nfs/dbraw/zinc/27/83/74/351278374.db2.gz AYNHBBPGUXHPLX-BDAKNGLRSA-N 1 0 220.338 0.266 10 0 BCAERO C[NH+](C)CC1CN(c2ncc(N)s2)C1 ZINC000306975832 351396121 /nfs/dbraw/zinc/39/61/21/351396121.db2.gz ABPPTNLDUZLNLD-UHFFFAOYSA-N 1 0 212.322 0.723 10 0 BCAERO Nc1cn[nH+]c(N2CC[C@H](O)C2)c1Cl ZINC000306924075 351343237 /nfs/dbraw/zinc/34/32/37/351343237.db2.gz IAVFTZAXDAKPGC-YFKPBYRVSA-N 1 0 214.656 0.283 10 0 BCAERO C[C@@H]([NH2+]C[C@H]1CCCO1)C(=O)N1CCCC1 ZINC000034936752 351349892 /nfs/dbraw/zinc/34/98/92/351349892.db2.gz RZIQDRPQOFQNJT-GHMZBOCLSA-N 1 0 226.320 0.766 10 0 BCAERO CC[C@@H](C)[NH2+][C@H](C)C(=O)N1CCOCC1 ZINC000034936721 351350112 /nfs/dbraw/zinc/35/01/12/351350112.db2.gz AEXNSMXCVJNPRT-NXEZZACHSA-N 1 0 214.309 0.622 10 0 BCAERO COC[C@H](C)[NH2+][C@H](C)C(=O)NC1CC1 ZINC000034937422 351351998 /nfs/dbraw/zinc/35/19/98/351351998.db2.gz IPACWIJZPNNDCD-JGVFFNPUSA-N 1 0 200.282 0.278 10 0 BCAERO CC(F)(F)CC(=O)N[C@H]1CCC[NH2+]C1 ZINC000306938815 351359882 /nfs/dbraw/zinc/35/98/82/351359882.db2.gz AMGKMMGUUAUSBC-ZETCQYMHSA-N 1 0 206.236 0.900 10 0 BCAERO O=C1Cc2ccccc2C(=O)N1[C@H]1CCC[NH2+]C1 ZINC000034957498 351363124 /nfs/dbraw/zinc/36/31/24/351363124.db2.gz WOKPRBCEQTUAQG-NSHDSACASA-N 1 0 244.294 0.964 10 0 BCAERO Cc1nnc([C@@H](C)N2C[C@H]([NH3+])C2=O)s1 ZINC000307024642 351433723 /nfs/dbraw/zinc/43/37/23/351433723.db2.gz WKWMDEJZSVNPDZ-XINAWCOVSA-N 1 0 212.278 0.077 10 0 BCAERO CC(C)[S@](=O)N1CC[C@H]([NH3+])C[C@H]1C ZINC000307045837 351446167 /nfs/dbraw/zinc/44/61/67/351446167.db2.gz WPOBCSKTOZHZAI-ZDMBXUJBSA-N 1 0 204.339 0.870 10 0 BCAERO Cc1cnc([C@@H]2OC[C@@H](C[NH3+])O2)s1 ZINC000307015570 351421251 /nfs/dbraw/zinc/42/12/51/351421251.db2.gz UJBVVVFDEKLVCF-HTRCEHHLSA-N 1 0 200.263 0.824 10 0 BCAERO C[S@](=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000307129970 351492785 /nfs/dbraw/zinc/49/27/85/351492785.db2.gz KFPYWASJIMSGMQ-BHDSKKPTSA-N 1 0 216.350 0.886 10 0 BCAERO CN(CCNCC[NH3+])C(=O)OC(C)(C)C ZINC000307143506 351501785 /nfs/dbraw/zinc/50/17/85/351501785.db2.gz FMJJSFUGQQROKO-UHFFFAOYSA-N 1 0 217.313 0.402 10 0 BCAERO C[C@@H]1SCCC[C@@H]1[NH2+][C@@H]1CNC(=O)C1 ZINC000228935613 351507281 /nfs/dbraw/zinc/50/72/81/351507281.db2.gz FNXSUFSTXXOIFN-CIUDSAMLSA-N 1 0 214.334 0.749 10 0 BCAERO C[C@]1(C(=O)N[C@@H]2C[C@H]2[NH3+])CC1(Cl)Cl ZINC000307081331 351469754 /nfs/dbraw/zinc/46/97/54/351469754.db2.gz JADMXIOIJBZGCJ-WYDQCIBASA-N 1 0 223.103 0.786 10 0 BCAERO C[C@@H]1C[C@H](NC(=O)C(C)(C)[NH3+])CS1 ZINC000307098007 351478076 /nfs/dbraw/zinc/47/80/76/351478076.db2.gz VPGFUHXWPQGVGQ-RQJHMYQMSA-N 1 0 202.323 0.734 10 0 BCAERO C[C@H]1C[NH2+]C[C@@H]1c1c(Br)nnn1C ZINC000307099846 351479520 /nfs/dbraw/zinc/47/95/20/351479520.db2.gz XINXPGVMSXVFFK-WDSKDSINSA-N 1 0 245.124 0.901 10 0 BCAERO COC[C@@H]([NH3+])C(=O)NCC1CCCC1 ZINC000088002718 351480249 /nfs/dbraw/zinc/48/02/49/351480249.db2.gz MRQDAPKLWMPKLV-SECBINFHSA-N 1 0 200.282 0.267 10 0 BCAERO COC[C@@H]([NH3+])C(=O)NCc1cccs1 ZINC000088002610 351480479 /nfs/dbraw/zinc/48/04/79/351480479.db2.gz YLXYRBSFRSRPLS-MRVPVSSYSA-N 1 0 214.290 0.338 10 0 BCAERO [NH3+][C@H](c1ccsn1)[C@H]1COCCO1 ZINC000307116887 351487409 /nfs/dbraw/zinc/48/74/09/351487409.db2.gz GBHGYPXIOGYAKI-HTQZYQBOSA-N 1 0 200.263 0.558 10 0 BCAERO C[C@H]([NH3+])C(=O)N1CCC=C(Br)C1 ZINC000404140874 363055872 /nfs/dbraw/zinc/05/58/72/363055872.db2.gz HMYWFQPEHAKDTB-LURJTMIESA-N 1 0 233.109 0.845 10 0 BCAERO C[C@@H]1CN(S(=O)(=O)CC2CCC2)C[C@@H]1C[NH3+] ZINC000631965543 363065926 /nfs/dbraw/zinc/06/59/26/363065926.db2.gz CVXIEXPJFBTDSK-KOLCDFICSA-N 1 0 246.376 0.643 10 0 BCAERO CC[C@]1([C@@H]2CCOC2)C[NH2+]C[C@@H]1C(N)=O ZINC000307168898 351543781 /nfs/dbraw/zinc/54/37/81/351543781.db2.gz WHSKWHIHWLVHKJ-FXPVBKGRSA-N 1 0 212.293 0.124 10 0 BCAERO C[C@@H](C(N)=S)[N@@H+]1CCCOC[C@H]1C ZINC000307185245 351581781 /nfs/dbraw/zinc/58/17/81/351581781.db2.gz RXQQFDHXEBHZMH-SFYZADRCSA-N 1 0 202.323 0.772 10 0 BCAERO CC[C@H](C[NH3+])N1CC[C@H](O)C(C)(C)C1 ZINC000307187891 351589893 /nfs/dbraw/zinc/58/98/93/351589893.db2.gz WPJVXHJEEGHOET-ZJUUUORDSA-N 1 0 200.326 0.817 10 0 BCAERO CNC(=O)[C@@H](C)[N@@H+]1CCS[C@@H](C)C1 ZINC000307190957 351592503 /nfs/dbraw/zinc/59/25/03/351592503.db2.gz KBJUNCAUVCMRGR-JGVFFNPUSA-N 1 0 202.323 0.558 10 0 BCAERO C[C@H](C[S@](C)=O)Nc1cc[nH+]cc1N ZINC000228965054 351604059 /nfs/dbraw/zinc/60/40/59/351604059.db2.gz MCBOMJRKRVCNOM-UOWDBTKRSA-N 1 0 213.306 0.843 10 0 BCAERO CC(C)([NH3+])C(=O)N1CC[C@@H](O)C1(C)C ZINC000307206850 351610486 /nfs/dbraw/zinc/61/04/86/351610486.db2.gz LRJLDQXSMHGJMZ-SSDOTTSWSA-N 1 0 200.282 0.096 10 0 BCAERO C[S@@](=O)NC1C(C)(C)C([NH3+])C1(C)C ZINC000307229901 351676700 /nfs/dbraw/zinc/67/67/00/351676700.db2.gz AOGAFLZQAAVKSN-HKSSTPRTSA-N 1 0 204.339 0.631 10 0 BCAERO CCS(=O)(=O)N1C[C@@H]([NH3+])CC[C@H]1C ZINC000307231980 351687667 /nfs/dbraw/zinc/68/76/67/351687667.db2.gz CBQLCUZCGKCLSV-SFYZADRCSA-N 1 0 206.311 0.148 10 0 BCAERO CC[C@](C)(O)C[N@@H+]1CCC[C@@H](O)[C@H]1C ZINC000307232762 351688074 /nfs/dbraw/zinc/68/80/74/351688074.db2.gz DSGNOEGZJHHSGU-MXWKQRLJSA-N 1 0 201.310 0.993 10 0 BCAERO [NH3+]C[C@@H](O)CNc1ccc(Br)cn1 ZINC000307233507 351701853 /nfs/dbraw/zinc/70/18/53/351701853.db2.gz DWYRHCRXUJPUBU-SSDOTTSWSA-N 1 0 246.108 0.576 10 0 BCAERO Cn1c(=O)[nH]nc1SCC1CC[NH2+]CC1 ZINC000061593278 180623761 /nfs/dbraw/zinc/62/37/61/180623761.db2.gz SAPUULSTJACJPR-UHFFFAOYSA-N 1 0 228.321 0.200 10 0 BCAERO C[C@@H]1C[NH2+]C[C@@H](N2CCCS2(=O)=O)C1 ZINC000232078478 351672171 /nfs/dbraw/zinc/67/21/71/351672171.db2.gz RCBJUTFHCNGOFR-IUCAKERBSA-N 1 0 218.322 0.020 10 0 BCAERO [NH3+]C[C@H]1CSCCN1[C@H]1CCOC1 ZINC000307239591 351731184 /nfs/dbraw/zinc/73/11/84/351731184.db2.gz PQSLBWYRSRDIPJ-IUCAKERBSA-N 1 0 202.323 0.151 10 0 BCAERO CC(C)[C@@H](C)NC(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000637877362 351742446 /nfs/dbraw/zinc/74/24/46/351742446.db2.gz QLSLKCJEGIJXHK-ZYHUDNBSSA-N 1 0 228.336 0.903 10 0 BCAERO CC(C)[C@H](C)NC(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000637877422 351742939 /nfs/dbraw/zinc/74/29/39/351742939.db2.gz SKABEQSDWHWBKN-GXSJLCMTSA-N 1 0 214.309 0.526 10 0 BCAERO CC(C)[C@H](C)NC(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000637877739 351743246 /nfs/dbraw/zinc/74/32/46/351743246.db2.gz XVJHOEJUWZLKFM-XHNCKOQMSA-N 1 0 200.282 0.263 10 0 BCAERO Cn1cnnc1[C@@H]([NH3+])[C@H]1CSCCS1 ZINC000307244363 351749610 /nfs/dbraw/zinc/74/96/10/351749610.db2.gz LBZTUXYGOXMEHB-RQJHMYQMSA-N 1 0 230.362 0.664 10 0 BCAERO C[C@@H](CO)C[N@@H+]1CCN2CCCC[C@H]2C1 ZINC000252727947 538101124 /nfs/dbraw/zinc/10/11/24/538101124.db2.gz TVEFVPPJTXFJQI-NEPJUHHUSA-N 1 0 212.337 0.785 10 0 BCAERO CC(C)CC[C@@H]([NH3+])C(=O)NCC[C@@H](C)O ZINC000637910103 351780229 /nfs/dbraw/zinc/78/02/29/351780229.db2.gz LOCPLUVFIZNPAZ-NXEZZACHSA-N 1 0 216.325 0.637 10 0 BCAERO CC(C)(C)[S@@](=N)(=O)N1CCNCC1 ZINC000404661923 351791535 /nfs/dbraw/zinc/79/15/35/351791535.db2.gz XUNVZEHJAKGTSA-ZDUSSCGKSA-N 1 0 205.327 0.652 10 0 BCAERO C[C@H](NC(=O)C1=CC[C@@H]([NH3+])C1)[C@H]1CCCO1 ZINC000637928702 351805787 /nfs/dbraw/zinc/80/57/87/351805787.db2.gz FDBCWYQQIJVCIF-JMJZKYOTSA-N 1 0 224.304 0.718 10 0 BCAERO OC1CC[NH+]([C@H]2CCO[C@]23CCOC3)CC1 ZINC000725269421 538101200 /nfs/dbraw/zinc/10/12/00/538101200.db2.gz TZXIUCFPHNVIGE-RYUDHWBXSA-N 1 0 227.304 0.391 10 0 BCAERO Cn1cc(CCNC(=O)[C@H]2CCC[C@@H]2[NH3+])cn1 ZINC000128156970 180640602 /nfs/dbraw/zinc/64/06/02/180640602.db2.gz WYCFWMLYMMZXSC-QWRGUYRKSA-N 1 0 236.319 0.206 10 0 BCAERO C[C@H](CC(N)=S)[N@@H+]1CCC[C@@H](O)[C@H]1C ZINC000307252200 351769812 /nfs/dbraw/zinc/76/98/12/351769812.db2.gz RQXGLYJAMOUQCN-IWSPIJDZSA-N 1 0 216.350 0.896 10 0 BCAERO CC[N@H+](CCO)[C@H]1CCO[C@@]12CCOC2 ZINC000725268874 538101340 /nfs/dbraw/zinc/10/13/40/538101340.db2.gz DJFWUZSFIZQXTP-WDEREUQCSA-N 1 0 215.293 0.249 10 0 BCAERO C[C@@H]1CSCC[N@H+](CC(N)=S)C1 ZINC000307263115 351808702 /nfs/dbraw/zinc/80/87/02/351808702.db2.gz XZDOGTMKMKWOBG-ZETCQYMHSA-N 1 0 204.364 0.957 10 0 BCAERO C[C@H]1C[C@H](NC(=O)CC2([NH3+])CC2)CS1 ZINC000307262597 351809853 /nfs/dbraw/zinc/80/98/53/351809853.db2.gz SUCNMVIVCYCMSZ-YUMQZZPRSA-N 1 0 214.334 0.878 10 0 BCAERO Cn1cc(C[C@@H](C[NH3+])C(=O)N2CCCC2)cn1 ZINC000050304810 180654021 /nfs/dbraw/zinc/65/40/21/180654021.db2.gz QSQZYPWVNABUNW-NSHDSACASA-N 1 0 236.319 0.160 10 0 BCAERO C[C@H]1CN(C(=O)C2=CC[C@H]([NH3+])C2)CCS1 ZINC000637980678 351858100 /nfs/dbraw/zinc/85/81/00/351858100.db2.gz URDJBMDOXUDATF-WPRPVWTQSA-N 1 0 226.345 0.998 10 0 BCAERO CCC[C@@H]1C[C@H]1NC(=O)c1cnc(C[NH3+])nc1 ZINC000638039054 351919983 /nfs/dbraw/zinc/91/99/83/351919983.db2.gz RNVKTWADOCWBDY-PSASIEDQSA-N 1 0 234.303 0.854 10 0 BCAERO CC[C@@H](NC[C@@H]1C[NH2+]CC12CCC2)C(=O)OC ZINC000725269536 538101670 /nfs/dbraw/zinc/10/16/70/538101670.db2.gz VGRAEAKZTCXMNX-WDEREUQCSA-N 1 0 240.347 0.917 10 0 BCAERO CC[NH2+][C@H](C)C(=O)NC[C@H]1CCCC[C@@H]1O ZINC000638011388 351887001 /nfs/dbraw/zinc/88/70/01/351887001.db2.gz QDTIAKCPTMTGOS-MXWKQRLJSA-N 1 0 228.336 0.652 10 0 BCAERO Cn1cc(N[C@H]2CCC[NH2+]C2)ccc1=O ZINC000043327292 180661636 /nfs/dbraw/zinc/66/16/36/180661636.db2.gz UBLQNADLNIHJKJ-VIFPVBQESA-N 1 0 207.277 0.549 10 0 BCAERO CCOC(=O)[C@H]1CCC[N@@H+]([C@H]2[C@@H]3COC[C@@H]32)C1 ZINC000725269951 538101756 /nfs/dbraw/zinc/10/17/56/538101756.db2.gz UXDFTIYPRVIFKF-NNYUYHANSA-N 1 0 239.315 0.906 10 0 BCAERO C[C@@H]1CCO[C@@H]1C(=O)NCC(C)(C)[NH3+] ZINC000168374916 351996766 /nfs/dbraw/zinc/99/67/66/351996766.db2.gz KGADKDFSSUJOAP-SFYZADRCSA-N 1 0 200.282 0.265 10 0 BCAERO COC(=O)[C@H](C)C[NH+]1[C@H](C)COC[C@H]1C ZINC000035052353 351997028 /nfs/dbraw/zinc/99/70/28/351997028.db2.gz YTVOQVOWBJPEGD-OPRDCNLKSA-N 1 0 215.293 0.905 10 0 BCAERO CNC(=S)NC[C@H]1C[C@H](C)[N@H+](C)C1 ZINC000307332653 352048382 /nfs/dbraw/zinc/04/83/82/352048382.db2.gz AGIUMXAIXVJATR-JGVFFNPUSA-N 1 0 201.339 0.421 10 0 BCAERO CC1(C(=O)N[C@@H]2CCOC23CC[NH2+]CC3)CC1 ZINC000725270151 538101866 /nfs/dbraw/zinc/10/18/66/538101866.db2.gz XXZQMIVYITXRML-SNVBAGLBSA-N 1 0 238.331 0.814 10 0 BCAERO COC1CC(C(=O)N[C@@H]2CCC[NH2+][C@H]2C)C1 ZINC000638205191 352067344 /nfs/dbraw/zinc/06/73/44/352067344.db2.gz HCMSKTPORVTNQD-IDWGSYCQSA-N 1 0 226.320 0.668 10 0 BCAERO [NH3+][C@H](c1cnsc1)[C@@H]1COCCO1 ZINC000404746671 352024821 /nfs/dbraw/zinc/02/48/21/352024821.db2.gz AFTRPQJEXLUEPZ-JGVFFNPUSA-N 1 0 200.263 0.558 10 0 BCAERO C[C@@H]1C[C@H](C(=O)NC[C@H]2CC[NH2+]C2)[C@@H](C)O1 ZINC000638164432 352032084 /nfs/dbraw/zinc/03/20/84/352032084.db2.gz HUIXDCRNJRFTIB-ZNSHCXBVSA-N 1 0 226.320 0.526 10 0 BCAERO C[C@@H]1OCC[C@H]1NC(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638168850 352033068 /nfs/dbraw/zinc/03/30/68/352033068.db2.gz ISGIFZKTRPYENZ-FXBDTBDDSA-N 1 0 210.277 0.328 10 0 BCAERO COC1CC(C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)C1 ZINC000638170770 352033515 /nfs/dbraw/zinc/03/35/15/352033515.db2.gz UGIUVRIEVFXLNS-RFAQPDLFSA-N 1 0 238.331 0.607 10 0 BCAERO C[C@@H]1OCC[C@H]1NC(=O)CCC1C[NH2+]C1 ZINC000638170880 352037703 /nfs/dbraw/zinc/03/77/03/352037703.db2.gz RILOTNZSLBUVOJ-WCBMZHEXSA-N 1 0 212.293 0.280 10 0 BCAERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)[C@H]1CCCC12CC2 ZINC000638231227 352083687 /nfs/dbraw/zinc/08/36/87/352083687.db2.gz PKYHBPAERVSDNH-HBNTYKKESA-N 1 0 238.331 0.263 10 0 BCAERO C[C@@H]1OCC[C@H]1C(=O)NCC(C)(C)[NH3+] ZINC000168379671 352085230 /nfs/dbraw/zinc/08/52/30/352085230.db2.gz YOOVVVSPWXUJIY-JGVFFNPUSA-N 1 0 200.282 0.265 10 0 BCAERO CC(C)(C)[C@@H](O)CNC(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638278862 352115311 /nfs/dbraw/zinc/11/53/11/352115311.db2.gz LPLTWCKEYHPTCX-ZJUUUORDSA-N 1 0 226.320 0.557 10 0 BCAERO COC1CC(C(=O)N2C[C@H]([NH3+])[C@@H](C)C2)C1 ZINC000638331612 352153705 /nfs/dbraw/zinc/15/37/05/352153705.db2.gz LJLMSMHYDJVDAQ-NFTFJBJSSA-N 1 0 212.293 0.217 10 0 BCAERO CC(C)S(=O)(=O)NC[C@H]1CCCCC[NH2+]1 ZINC000725270118 538102299 /nfs/dbraw/zinc/10/22/99/538102299.db2.gz XSDGACFDEYUIGY-SNVBAGLBSA-N 1 0 234.365 0.846 10 0 BCAERO CC(C)c1nsc(N2CCO[C@@H](C[NH3+])C2)n1 ZINC000083651193 352222260 /nfs/dbraw/zinc/22/22/60/352222260.db2.gz XNJGWHXVHOTTGU-QMMMGPOBSA-N 1 0 242.348 0.825 10 0 BCAERO C[C@H](C(N)=O)[N@@H+]1CCSCC[C@H]1C ZINC000307352129 352258602 /nfs/dbraw/zinc/25/86/02/352258602.db2.gz BRQZEAAPPVQFDB-HTQZYQBOSA-N 1 0 202.323 0.688 10 0 BCAERO CO[C@H](C[NH2+][C@@H]1CCCNC1=O)C1CC1 ZINC000638457956 352269199 /nfs/dbraw/zinc/26/91/99/352269199.db2.gz ANFLAXXRWRQWRW-NXEZZACHSA-N 1 0 212.293 0.280 10 0 BCAERO CC(C)CN(C)[C@H]1C[NH2+]CC[C@@]1(C)O ZINC000300931480 363169744 /nfs/dbraw/zinc/16/97/44/363169744.db2.gz WECIHWIHERDINM-WDEREUQCSA-N 1 0 200.326 0.687 10 0 BCAERO O=C([C@@H]1C[NH2+]C[C@H]1C(F)(F)F)N1C[C@@H]2C[C@@H]2C1 ZINC000638474105 352283711 /nfs/dbraw/zinc/28/37/11/352283711.db2.gz ILEDGPBPNVBEKL-BZNPZCIMSA-N 1 0 248.248 0.863 10 0 BCAERO C[C@@H]1C[C@H](CN=[S@](C)(=O)N(C)C)CC[NH2+]1 ZINC000725270846 538102890 /nfs/dbraw/zinc/10/28/90/538102890.db2.gz SZEPISXWOWTGLB-FCHSOHFDSA-N 1 0 233.381 0.949 10 0 BCAERO CC(C)(C)C[C@@H](CO)N[C@H]1CC[NH2+]C1 ZINC000393507149 259426034 /nfs/dbraw/zinc/42/60/34/259426034.db2.gz IDFBXVXVFQZEAF-UWVGGRQHSA-N 1 0 200.326 0.735 10 0 BCAERO O=C(N[C@H]1CCSC1)[C@H]1CC[NH2+]C1 ZINC000226357980 352339244 /nfs/dbraw/zinc/33/92/44/352339244.db2.gz KVXIOFZBSJVKCL-YUMQZZPRSA-N 1 0 200.307 0.218 10 0 BCAERO COC(=O)[C@H](CCCC[NH3+])[C@H]1CCOC1 ZINC000725271405 538103146 /nfs/dbraw/zinc/10/31/46/538103146.db2.gz MCKUQXZHIURRNF-VHSXEESVSA-N 1 0 215.293 0.941 10 0 BCAERO C[NH2+]CCOCCNC(=O)C1CC(C)C1 ZINC000638578484 352409185 /nfs/dbraw/zinc/40/91/85/352409185.db2.gz CQWGTLMZFUUEJP-UHFFFAOYSA-N 1 0 214.309 0.385 10 0 BCAERO CC(C)[C@@H]([NH3+])CCN(C)c1ccc2nncn2n1 ZINC000420202470 192175418 /nfs/dbraw/zinc/17/54/18/192175418.db2.gz JHVXFBIXRXQHLM-JTQLQIEISA-N 1 0 248.334 0.934 10 0 BCAERO O=C(C1CCC1)N1CCC[NH2+]CCOCC1 ZINC000725271523 538103361 /nfs/dbraw/zinc/10/33/61/538103361.db2.gz OWTHBRDPZLXERO-UHFFFAOYSA-N 1 0 226.320 0.625 10 0 BCAERO Cc1ncccc1CNC(=O)[C@@H]1CC[NH2+]C1 ZINC000638603041 352439249 /nfs/dbraw/zinc/43/92/49/352439249.db2.gz ZGJVCORNIHVUEF-LLVKDONJSA-N 1 0 219.288 0.616 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N1CCO[C@@H](COCC)C1 ZINC000638602945 352439490 /nfs/dbraw/zinc/43/94/90/352439490.db2.gz PSHWXXCEWYRMBG-MNOVXSKESA-N 1 0 244.335 0.378 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N1CCO[C@H](COCC)C1 ZINC000638602948 352439553 /nfs/dbraw/zinc/43/95/53/352439553.db2.gz PSHWXXCEWYRMBG-QWRGUYRKSA-N 1 0 244.335 0.378 10 0 BCAERO C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1NC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000638628066 352466653 /nfs/dbraw/zinc/46/66/53/352466653.db2.gz JTKJCVVMKMMYCR-DDYHOKDCSA-N 1 0 240.347 0.770 10 0 BCAERO CNS(=O)(=O)C[C@@]12CC[NH2+][C@@H]1CCCC2 ZINC000725272195 538103882 /nfs/dbraw/zinc/10/38/82/538103882.db2.gz IGYUAPJJTAKOKN-NXEZZACHSA-N 1 0 232.349 0.458 10 0 BCAERO CCC(=O)N1CCC2(CC1)C[NH2+]C[C@H](C)O2 ZINC000725271879 538103555 /nfs/dbraw/zinc/10/35/55/538103555.db2.gz JVYKUWHXQLXONV-JTQLQIEISA-N 1 0 226.320 0.766 10 0 BCAERO C[C@H]1CN(C2(C[NH3+])CSC2)CCO1 ZINC000307378742 352478393 /nfs/dbraw/zinc/47/83/93/352478393.db2.gz WZTKGNSHXSOJSW-QMMMGPOBSA-N 1 0 202.323 0.151 10 0 BCAERO CCOC(=O)C[C@H]([NH3+])[C@@H]1CCCS(=O)(=O)C1 ZINC000725272043 538103952 /nfs/dbraw/zinc/10/39/52/538103952.db2.gz GCMHKSMIBBQVPD-BDAKNGLRSA-N 1 0 249.332 0.092 10 0 BCAERO C/C=C/CNC(=O)[C@]1(COC)CCC[NH2+]1 ZINC000638691183 352528574 /nfs/dbraw/zinc/52/85/74/352528574.db2.gz VGBBXFYKUBATHY-PGLGOXFNSA-N 1 0 212.293 0.447 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N[C@H]1CO[C@@H](C2CC2)C1 ZINC000638694150 352531128 /nfs/dbraw/zinc/53/11/28/352531128.db2.gz BTQKRUBBNITSRI-OUAUKWLOSA-N 1 0 226.320 0.798 10 0 BCAERO C[NH2+][C@H](C)C(=O)N[C@@H]1CO[C@@H](C2CC2)C1 ZINC000638694787 352532299 /nfs/dbraw/zinc/53/22/99/352532299.db2.gz ILIQMNGZZJAITR-FKTZTGRPSA-N 1 0 212.293 0.278 10 0 BCAERO O=C(N[C@H]1CO[C@H](C2CC2)C1)[C@H]1CC[NH2+]C1 ZINC000638695475 352532467 /nfs/dbraw/zinc/53/24/67/352532467.db2.gz OIVJCDXSNGJLBH-AXFHLTTASA-N 1 0 224.304 0.280 10 0 BCAERO O=C(NC1(C(F)F)CC1)[C@H]1C[NH2+]CCOC1 ZINC000638726813 352585783 /nfs/dbraw/zinc/58/57/83/352585783.db2.gz VOTUTNUXNOTFRJ-ZETCQYMHSA-N 1 0 234.246 0.136 10 0 BCAERO NC(=S)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000307415441 352589701 /nfs/dbraw/zinc/58/97/01/352589701.db2.gz IUEBCFNAODKXNS-SECBINFHSA-N 1 0 213.350 0.790 10 0 BCAERO CC[C@@H]1[C@@H]2C[NH2+]C[C@@H]2CN1[S@@](C)=O ZINC000307432653 352595127 /nfs/dbraw/zinc/59/51/27/352595127.db2.gz ZPOSIQQKYYNLAA-WBPNIITGSA-N 1 0 202.323 0.210 10 0 BCAERO C[C@@H]([NH3+])C(=O)N[C@@H]1CCC[C@H](CO)C1 ZINC000307446945 352601914 /nfs/dbraw/zinc/60/19/14/352601914.db2.gz IAFKIZCPLOGNKZ-HRDYMLBCSA-N 1 0 200.282 0.001 10 0 BCAERO [NH3+][C@@H](CC1OCCO1)c1cscn1 ZINC000307448278 352603185 /nfs/dbraw/zinc/60/31/85/352603185.db2.gz QGQRCBGLPMDDAZ-LURJTMIESA-N 1 0 200.263 0.906 10 0 BCAERO C[C@H]1C[NH2+]C[C@]1(C)CNC(=O)C(F)(F)F ZINC000307451438 352607806 /nfs/dbraw/zinc/60/78/06/352607806.db2.gz SCAHVYRHJJGKTG-POYBYMJQSA-N 1 0 224.226 0.911 10 0 BCAERO C[C@@H]1CC[C@H]1NC(=O)[C@@H](F)C1C[NH2+]C1 ZINC000307460817 352610175 /nfs/dbraw/zinc/61/01/75/352610175.db2.gz IKSDMALNBAADQD-VDAHYXPESA-N 1 0 200.257 0.459 10 0 BCAERO [NH3+]C[C@H]1CSCCN1c1ncns1 ZINC000307465122 352615195 /nfs/dbraw/zinc/61/51/95/352615195.db2.gz MIDMNFIAGRZRDE-LURJTMIESA-N 1 0 216.335 0.419 10 0 BCAERO COc1nc([C@@]2(O)CCN(C)C2)cs1 ZINC000307395075 352569110 /nfs/dbraw/zinc/56/91/10/352569110.db2.gz OLABOFXYCUJXFY-SECBINFHSA-N 1 0 214.290 0.675 10 0 BCAERO CCS(=O)(=O)N1CCC[C@@H]([NH3+])[C@@H]1C ZINC000307399771 352572275 /nfs/dbraw/zinc/57/22/75/352572275.db2.gz XVQTZNKJAPEBQD-JGVFFNPUSA-N 1 0 206.311 0.148 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)NCc1ccc[nH]c1=O ZINC000638725529 352579131 /nfs/dbraw/zinc/57/91/31/352579131.db2.gz IIOYDIGEBMRSNQ-SNVBAGLBSA-N 1 0 237.303 0.777 10 0 BCAERO [NH3+]Cc1ccccc1Cn1cccnc1=O ZINC000022223769 187763587 /nfs/dbraw/zinc/76/35/87/187763587.db2.gz GYAFLBVIMHJWQY-UHFFFAOYSA-N 1 0 215.256 0.750 10 0 BCAERO CC1(C)[C@@H](C[NH3+])[C@@]12CCS(=O)(=O)C2 ZINC000301025679 352584693 /nfs/dbraw/zinc/58/46/93/352584693.db2.gz RUGHLJWYCSYPNB-APPZFPTMSA-N 1 0 203.307 0.406 10 0 BCAERO O=S1CCC(NC2=[NH+]CCC2)CC1 ZINC000229194817 352638543 /nfs/dbraw/zinc/63/85/43/352638543.db2.gz SUFCRFRNWVZHPL-UHFFFAOYSA-N 1 0 200.307 0.679 10 0 BCAERO NC(=O)C[N@@H+]1CCS[C@H]2CCC[C@@H]21 ZINC000307539402 352643506 /nfs/dbraw/zinc/64/35/06/352643506.db2.gz QEKPWPHUOSZQNJ-YUMQZZPRSA-N 1 0 200.307 0.442 10 0 BCAERO C[C@@H]1CN(CC2([S@@](C)=O)CC2)CC[NH2+]1 ZINC000307542793 352644203 /nfs/dbraw/zinc/64/42/03/352644203.db2.gz ZZTQVOZJEUBVBB-YMTOWFKASA-N 1 0 216.350 0.191 10 0 BCAERO C[C@H]1CN(CC2([S@](C)=O)CC2)CC[NH2+]1 ZINC000307542791 352644271 /nfs/dbraw/zinc/64/42/71/352644271.db2.gz ZZTQVOZJEUBVBB-XPTSAGLGSA-N 1 0 216.350 0.191 10 0 BCAERO O=S1(=O)CC([NH2+][C@H]2CC=CCC2)C1 ZINC000307543439 352644790 /nfs/dbraw/zinc/64/47/90/352644790.db2.gz UUZQWKPGXWNYHW-QMMMGPOBSA-N 1 0 201.291 0.482 10 0 BCAERO C[C@@H](C[NH3+])N1CC[S@@](=O)C(C)(C)CC1 ZINC000307543541 352644823 /nfs/dbraw/zinc/64/48/23/352644823.db2.gz AIOAIBWKHKKXRC-LKFCYVNXSA-N 1 0 218.366 0.567 10 0 BCAERO CC1(C)CC[C@H]1[NH2+]C1CS(=O)(=O)C1 ZINC000307541742 352645102 /nfs/dbraw/zinc/64/51/02/352645102.db2.gz YDVPKKKODHVFNK-MRVPVSSYSA-N 1 0 203.307 0.562 10 0 BCAERO CNC(=O)[C@@]1([NH+](C)C)CCCSC1 ZINC000307542043 352645852 /nfs/dbraw/zinc/64/58/52/352645852.db2.gz SYMYSUIGFSZVKY-SECBINFHSA-N 1 0 202.323 0.560 10 0 BCAERO CC(C)[NH+]1CCC(C(=O)[O-])([NH+](C)C)CC1 ZINC000037357690 187769205 /nfs/dbraw/zinc/76/92/05/187769205.db2.gz LVXJMVFYKPSCIK-UHFFFAOYSA-N 1 0 214.309 0.876 10 0 BCAERO C[C@@H]1CC[C@H]1[NH2+][C@H]1CCS(=O)(=O)C1 ZINC000307573191 352658170 /nfs/dbraw/zinc/65/81/70/352658170.db2.gz DTMPZFGNAMRITN-HRDYMLBCSA-N 1 0 203.307 0.562 10 0 BCAERO C[C@@]1(c2cccnc2)C[NH2+]C[C@H]1C(N)=O ZINC000229226524 352659866 /nfs/dbraw/zinc/65/98/66/352659866.db2.gz SMSXUAFHCRZVFQ-ONGXEEELSA-N 1 0 205.261 0.044 10 0 BCAERO CC(C)[S@@](=O)N1[C@H](C)C[NH2+]C[C@@H]1C ZINC000307595642 352665283 /nfs/dbraw/zinc/66/52/83/352665283.db2.gz LNRGCSLJQBVRHG-VYUIOLGVSA-N 1 0 204.339 0.741 10 0 BCAERO Cc1ccccc1[C@H]1C[NH2+]C[C@H]1C(N)=O ZINC000229235180 352666476 /nfs/dbraw/zinc/66/64/76/352666476.db2.gz SFVKEOLHFPPNIT-GHMZBOCLSA-N 1 0 204.273 0.783 10 0 BCAERO Cc1ccc([C@@H]2C[NH2+]C[C@H]2C(N)=O)cn1 ZINC000229234530 352666579 /nfs/dbraw/zinc/66/65/79/352666579.db2.gz WKXXQQIOVOHZNX-VHSXEESVSA-N 1 0 205.261 0.178 10 0 BCAERO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C(F)(F)F)C[C@H]12 ZINC000307602836 352667655 /nfs/dbraw/zinc/66/76/55/352667655.db2.gz XSOBBJUEVIMDKZ-DSYKOEDSSA-N 1 0 222.210 0.744 10 0 BCAERO O=C(N[C@H]1CCCSC1)[C@@H]1CC[NH2+]1 ZINC000307602688 352667825 /nfs/dbraw/zinc/66/78/25/352667825.db2.gz XFWFJGUUGXRRTL-YUMQZZPRSA-N 1 0 200.307 0.360 10 0 BCAERO O[C@H]1COC[C@@H]1[N@@H+]1CCCSCC1 ZINC000307485526 352620747 /nfs/dbraw/zinc/62/07/47/352620747.db2.gz UVLXPQFXLIFHDQ-IUCAKERBSA-N 1 0 203.307 0.185 10 0 BCAERO CC1(C)SC[C@@H]1NC(=O)C1C[NH2+]C1 ZINC000307485477 352620852 /nfs/dbraw/zinc/62/08/52/352620852.db2.gz UPUVUYJSQJYMJH-ZETCQYMHSA-N 1 0 200.307 0.216 10 0 BCAERO CC1(C)SC[C@@H]1[NH2+][C@@H]1COC[C@@H]1O ZINC000307493709 352624951 /nfs/dbraw/zinc/62/49/51/352624951.db2.gz AVPZKYUMJDBVTF-CSMHCCOUSA-N 1 0 203.307 0.230 10 0 BCAERO Cn1cnc(C(=O)N[C@H]2CCCC[C@@H]2[NH3+])c1 ZINC000236103093 180765996 /nfs/dbraw/zinc/76/59/96/180765996.db2.gz ZJNMSPFWOFMIAX-IUCAKERBSA-N 1 0 222.292 0.420 10 0 BCAERO CCCn1ccnc(N(C)C[C@@H](C)C[NH3+])c1=O ZINC000061760013 187783937 /nfs/dbraw/zinc/78/39/37/187783937.db2.gz XKMMBKKYWRMHCZ-JTQLQIEISA-N 1 0 238.335 0.684 10 0 BCAERO O=[S@@](C[C@H]1CC[NH2+]C1)C1CCOCC1 ZINC000307500177 352627846 /nfs/dbraw/zinc/62/78/46/352627846.db2.gz RUDSBQFHXNCLAL-XPTSAGLGSA-N 1 0 217.334 0.524 10 0 BCAERO CC1(C)C[NH2+]CC2(COCCOC2)O1 ZINC000307503597 352630553 /nfs/dbraw/zinc/63/05/53/352630553.db2.gz OXWWPWQPFZHWBQ-UHFFFAOYSA-N 1 0 201.266 0.170 10 0 BCAERO NC(=S)C[N@@H+]1CCC[C@]12CCOC2 ZINC000307519894 352633715 /nfs/dbraw/zinc/63/37/15/352633715.db2.gz OSKBNGQHCMBWHH-SECBINFHSA-N 1 0 200.307 0.527 10 0 BCAERO O=C([C@H]1C[C@@H](O)C[NH2+]1)N1CCCC2(CC2)CC1 ZINC000638757222 352688056 /nfs/dbraw/zinc/68/80/56/352688056.db2.gz VCVMQLBCVXWJEC-GHMZBOCLSA-N 1 0 238.331 0.502 10 0 BCAERO CC[NH2+][C@@H]1CCN(S(C)(=O)=O)C[C@H]1CC ZINC000253152028 538105082 /nfs/dbraw/zinc/10/50/82/538105082.db2.gz ILHQDFGCTBDQAF-NXEZZACHSA-N 1 0 234.365 0.656 10 0 BCAERO C([NH2+]C[C@H]1COCCO1)C1CCOCC1 ZINC000052172249 187812421 /nfs/dbraw/zinc/81/24/21/187812421.db2.gz LRWVETMJHNBLSJ-NSHDSACASA-N 1 0 215.293 0.418 10 0 BCAERO Cc1ccc(CC(=O)NCCOCC[NH3+])cc1 ZINC000104313852 187814366 /nfs/dbraw/zinc/81/43/66/187814366.db2.gz OOURAJQKZGEOIH-UHFFFAOYSA-N 1 0 236.315 0.629 10 0 BCAERO Cc1c(CN2CC[NH2+][C@H](C)[C@@H]2C)cnn1C ZINC000336054594 187816163 /nfs/dbraw/zinc/81/61/63/187816163.db2.gz JBNGEGBSIZKSGR-ZJUUUORDSA-N 1 0 222.336 0.911 10 0 BCAERO Cc1cc(=O)n2c(c1)[C@@H]1C[NH2+]C[C@@H](C1)C2 ZINC000013686253 187819459 /nfs/dbraw/zinc/81/94/59/187819459.db2.gz BMELFMSHGRMUAH-ZJUUUORDSA-N 1 0 204.273 0.863 10 0 BCAERO CCCCN(CCO)[C@H]1COC[C@@H]1C[NH+](C)C ZINC000725273787 538104945 /nfs/dbraw/zinc/10/49/45/538104945.db2.gz GKJGGNXATLMTJR-STQMWFEESA-N 1 0 244.379 0.657 10 0 BCAERO CC(C)C[C@@H](C)[N@@H+]1CCNC[C@@H](O)C1 ZINC000307642698 352736190 /nfs/dbraw/zinc/73/61/90/352736190.db2.gz KJVZDBKBQPZXRN-GHMZBOCLSA-N 1 0 200.326 0.687 10 0 BCAERO C[S@](=O)CCN1CC[NH2+]C(C)(C)C1 ZINC000229285081 352750042 /nfs/dbraw/zinc/75/00/42/352750042.db2.gz UELVYTNCFYTRCL-ZDUSSCGKSA-N 1 0 204.339 0.049 10 0 BCAERO C[C@@H]1[C@@]2(CC[C@@H](C[NH3+])O2)CCS1(=O)=O ZINC000307672199 352751322 /nfs/dbraw/zinc/75/13/22/352751322.db2.gz WIXMYCGLWHATLI-HRDYMLBCSA-N 1 0 219.306 0.070 10 0 BCAERO C[C@@H]1[C@]2(CC[C@H](C[NH3+])O2)CCS1(=O)=O ZINC000307672197 352751338 /nfs/dbraw/zinc/75/13/38/352751338.db2.gz WIXMYCGLWHATLI-HLTSFMKQSA-N 1 0 219.306 0.070 10 0 BCAERO [NH3+][C@@H](c1ccns1)[C@H]1COCCO1 ZINC000307677523 352755070 /nfs/dbraw/zinc/75/50/70/352755070.db2.gz MAPORPHRQGZUDU-HTRCEHHLSA-N 1 0 200.263 0.558 10 0 BCAERO Cn1cnnc1CNC(=O)[C@@H]([NH3+])c1ccccc1 ZINC000038008121 180793934 /nfs/dbraw/zinc/79/39/34/180793934.db2.gz FPLUIRSLFKNNKQ-NSHDSACASA-N 1 0 245.286 0.131 10 0 BCAERO O=C(NC[C@@H]1CCCC12CC2)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000638797110 352910521 /nfs/dbraw/zinc/91/05/21/352910521.db2.gz ZFEIGDKNNPFHHF-HBNTYKKESA-N 1 0 238.331 0.406 10 0 BCAERO [NH3+]C[C@@H]1CCCCN(S(=O)(=O)C2CC2)C1 ZINC000308888583 538105948 /nfs/dbraw/zinc/10/59/48/538105948.db2.gz XLVJUUIFOUASPN-VIFPVBQESA-N 1 0 232.349 0.539 10 0 BCAERO CO[C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[NH2+][C@@H]2C)C1 ZINC000638804079 352978361 /nfs/dbraw/zinc/97/83/61/352978361.db2.gz AZUCTXGTERXFHU-WISYIIOYSA-N 1 0 240.347 0.916 10 0 BCAERO CO[C@H]1C[C@@H](CNC(=O)[C@@H]2CC[C@@H]([NH3+])C2)C1 ZINC000638807310 352980869 /nfs/dbraw/zinc/98/08/69/352980869.db2.gz JMSKDFGRUIAMAF-DBIOUOCHSA-N 1 0 226.320 0.655 10 0 BCAERO O=C(CCCCO)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000092172264 538106355 /nfs/dbraw/zinc/10/63/55/538106355.db2.gz MKOGMEUISNELEF-LBPRGKRZSA-N 1 0 240.347 0.846 10 0 BCAERO [NH3+]C1(C(=O)N[C@H]2CCCC23CC3)CCOCC1 ZINC000638835687 353021736 /nfs/dbraw/zinc/02/17/36/353021736.db2.gz ZLRPOSMZAAFVTH-JTQLQIEISA-N 1 0 238.331 0.943 10 0 BCAERO C[C@H]1CSCC[N@H+](CCC(N)=O)C1 ZINC000306545740 353023345 /nfs/dbraw/zinc/02/33/45/353023345.db2.gz AXXFSPAHXCCSIF-MRVPVSSYSA-N 1 0 202.323 0.547 10 0 BCAERO CC(C)[S@@](=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000306662071 353033025 /nfs/dbraw/zinc/03/30/25/353033025.db2.gz PBCGDEBXJMORMO-VYUIOLGVSA-N 1 0 202.323 0.352 10 0 BCAERO [NH3+]C[C@H]1CCC2(CCS(=O)(=O)CC2)O1 ZINC000307577672 323948764 /nfs/dbraw/zinc/94/87/64/323948764.db2.gz PXJJTPCRJDDULB-MRVPVSSYSA-N 1 0 219.306 0.072 10 0 BCAERO Cn1nccc1-c1ccnc(NCCC[NH3+])n1 ZINC000002538565 180828714 /nfs/dbraw/zinc/82/87/14/180828714.db2.gz REPPVKPFOLRJGJ-UHFFFAOYSA-N 1 0 232.291 0.638 10 0 BCAERO O=C(N[C@@H]1CCCC12CC2)[C@H]1C[NH2+]CCOC1 ZINC000638832051 353012439 /nfs/dbraw/zinc/01/24/39/353012439.db2.gz DGJRPDAFHMQAOI-WDEREUQCSA-N 1 0 238.331 0.671 10 0 BCAERO Cc1noc(C)c1C(=O)N1C[C@H](C)[C@H](C[NH3+])C1 ZINC000638889443 353058023 /nfs/dbraw/zinc/05/80/23/353058023.db2.gz VBAIXFDYTKSCFZ-OIBJUYFYSA-N 1 0 237.303 0.958 10 0 BCAERO COC[C@H](C)CC(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000638890262 353058638 /nfs/dbraw/zinc/05/86/38/353058638.db2.gz DHNRFUMGUKRRHR-GMTAPVOTSA-N 1 0 228.336 0.712 10 0 BCAERO C[C@@H]1CN(C(=O)Cc2ccn(C)n2)C[C@H]1C[NH3+] ZINC000638898232 353061333 /nfs/dbraw/zinc/06/13/33/353061333.db2.gz JMOPGPSKURXUAN-NXEZZACHSA-N 1 0 236.319 0.016 10 0 BCAERO CNC(=[NH2+])N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000307272746 353064701 /nfs/dbraw/zinc/06/47/01/353064701.db2.gz OAFHYBHSRRILTM-ITGUQSILSA-N 1 0 244.342 0.861 10 0 BCAERO Cc1nc(C)c(C(=O)N2C[C@H](C)[C@H](C[NH3+])C2)o1 ZINC000638915647 353074472 /nfs/dbraw/zinc/07/44/72/353074472.db2.gz QPHUAGQGLFEBLY-OIBJUYFYSA-N 1 0 237.303 0.958 10 0 BCAERO Cc1nc(C)c(C(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)o1 ZINC000638915646 353074875 /nfs/dbraw/zinc/07/48/75/353074875.db2.gz QPHUAGQGLFEBLY-GMSGAONNSA-N 1 0 237.303 0.958 10 0 BCAERO CCC(C)(C)CCNC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000638865799 353039868 /nfs/dbraw/zinc/03/98/68/353039868.db2.gz JWCAJXZNOPIEMB-NXEZZACHSA-N 1 0 228.336 0.652 10 0 BCAERO CC(C)(C)OC(=O)[C@@]1(O)CCCC[C@@H]1[NH3+] ZINC000083263338 538107183 /nfs/dbraw/zinc/10/71/83/538107183.db2.gz PSQOOADKSLXCDF-GZMMTYOYSA-N 1 0 215.293 0.961 10 0 BCAERO [NH3+]C[C@H]1CSCCN1CC(F)(F)F ZINC000306887459 353043800 /nfs/dbraw/zinc/04/38/00/353043800.db2.gz UNVSTKXXZKLONN-LURJTMIESA-N 1 0 214.256 0.925 10 0 BCAERO C[C@H]1CN(C(=O)c2ccnn2C)C[C@H]1C[NH3+] ZINC000638887566 353049603 /nfs/dbraw/zinc/04/96/03/353049603.db2.gz FSNFAPASIPDMIH-DTWKUNHWSA-N 1 0 222.292 0.087 10 0 BCAERO Cc1cnc(C(=O)N2C[C@@H](C)[C@@H](C[NH3+])C2)cn1 ZINC000638888885 353050138 /nfs/dbraw/zinc/05/01/38/353050138.db2.gz BCFSTCFXBULFIX-SCZZXKLOSA-N 1 0 234.303 0.452 10 0 BCAERO Cc1c(C(=O)N2C[C@H](C)[C@H](C[NH3+])C2)cnn1C ZINC000638888673 353050310 /nfs/dbraw/zinc/05/03/10/353050310.db2.gz OLZRRMLAIIIEQY-WCBMZHEXSA-N 1 0 236.319 0.395 10 0 BCAERO Cc1cc(C(=O)N2C[C@H](C)[C@H](C[NH3+])C2)n(C)n1 ZINC000638885041 353051980 /nfs/dbraw/zinc/05/19/80/353051980.db2.gz AOFLXPMYXVVBFM-WCBMZHEXSA-N 1 0 236.319 0.395 10 0 BCAERO Cc1cc(C(=O)N2C[C@H](C)[C@H](C[NH3+])C2)nn1C ZINC000638886987 353053930 /nfs/dbraw/zinc/05/39/30/353053930.db2.gz BYBTTYDEQBGSBC-WCBMZHEXSA-N 1 0 236.319 0.395 10 0 BCAERO C[C@H]1CN(C(=O)c2ccn(C)c(=O)c2)C[C@@H]1C[NH3+] ZINC000638886793 353054186 /nfs/dbraw/zinc/05/41/86/353054186.db2.gz SSBUIUMKTQOSEI-ONGXEEELSA-N 1 0 249.314 0.052 10 0 BCAERO Cc1ncoc1C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000638892999 353054712 /nfs/dbraw/zinc/05/47/12/353054712.db2.gz LAOFWVSFAIRAKC-VXNVDRBHSA-N 1 0 223.276 0.650 10 0 BCAERO C[C@@H]1CN(C(=O)Cc2cccnc2)C[C@@H]1C[NH3+] ZINC000638894019 353055468 /nfs/dbraw/zinc/05/54/68/353055468.db2.gz NFRMWSWKSWOAMF-PWSUYJOCSA-N 1 0 233.315 0.677 10 0 BCAERO CC(C)OCC(=O)N1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000638897104 353057127 /nfs/dbraw/zinc/05/71/27/353057127.db2.gz ZAELVUIDEFCUPL-UWVGGRQHSA-N 1 0 214.309 0.465 10 0 BCAERO C[C@@H]1CN(C(=O)[C@@H]2CCCCO2)C[C@@H]1C[NH3+] ZINC000638896553 353057276 /nfs/dbraw/zinc/05/72/76/353057276.db2.gz WZAJYZYPZMUILY-VWYCJHECSA-N 1 0 226.320 0.609 10 0 BCAERO Cn1nccc1C[NH2+]C[C@@H]1CCC[C@@H]1O ZINC000084230733 180844672 /nfs/dbraw/zinc/84/46/72/180844672.db2.gz OUVRERVFCPTFRW-ONGXEEELSA-N 1 0 209.293 0.671 10 0 BCAERO CC1(C)SC[C@H]1[NH2+][C@@H]1CCNC1=O ZINC000307725605 353112101 /nfs/dbraw/zinc/11/21/01/353112101.db2.gz BBRPIVATGJSVHR-RNFRBKRXSA-N 1 0 200.307 0.359 10 0 BCAERO CC1(C)SC[C@@H]1[NH2+][C@@H]1CCNC1=O ZINC000307725606 353112262 /nfs/dbraw/zinc/11/22/62/353112262.db2.gz BBRPIVATGJSVHR-RQJHMYQMSA-N 1 0 200.307 0.359 10 0 BCAERO Cn1cnc(C(=O)[C@@]2(C)CCC[NH2+]C2)c1 ZINC000307724671 353112682 /nfs/dbraw/zinc/11/26/82/353112682.db2.gz ZCCNBEGAEQCSPQ-NSHDSACASA-N 1 0 207.277 0.993 10 0 BCAERO C[NH2+]CCN(C)c1ncnc2[nH]ccc21 ZINC000420224025 192178152 /nfs/dbraw/zinc/17/81/52/192178152.db2.gz DRJKGLAFURJRHI-UHFFFAOYSA-N 1 0 205.265 0.614 10 0 BCAERO Cc1nn(C)cc1C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000638919481 353084451 /nfs/dbraw/zinc/08/44/51/353084451.db2.gz XVVBRYVEKQBKDQ-PSASIEDQSA-N 1 0 236.319 0.395 10 0 BCAERO C[C@H](C[C@H](C)O)[N@@H+]1CCN(C)[C@@H](C)C1 ZINC000218716121 353141390 /nfs/dbraw/zinc/14/13/90/353141390.db2.gz UBBCHGKWRTYXEV-VWYCJHECSA-N 1 0 200.326 0.782 10 0 BCAERO CC1(C)CN(CCCS(C)(=O)=O)CC[C@@H]1[NH3+] ZINC000304364895 188076494 /nfs/dbraw/zinc/07/64/94/188076494.db2.gz ZFKBZPDQPYIHAW-JTQLQIEISA-N 1 0 248.392 0.480 10 0 BCAERO Cc1nc(CN[C@@H]2CCC[NH2+]C2)cc(=O)[nH]1 ZINC000045956863 188085699 /nfs/dbraw/zinc/08/56/99/188085699.db2.gz QWTIJDWIZVUDSK-SECBINFHSA-N 1 0 222.292 0.332 10 0 BCAERO COCc1cc(N[C@H]2CCC[NH2+]C2)ncn1 ZINC000045955113 188085830 /nfs/dbraw/zinc/08/58/30/188085830.db2.gz CNCWREQMGRKJNQ-VIFPVBQESA-N 1 0 222.292 0.787 10 0 BCAERO C[C@H]1C[NH2+]C[C@H]1C(=O)c1cccnc1N ZINC000226379390 353178715 /nfs/dbraw/zinc/17/87/15/353178715.db2.gz YUGRAHAZVXFXEV-IONNQARKSA-N 1 0 205.261 0.702 10 0 BCAERO CC(C)(CO)[NH2+]Cc1ccc(C(N)=O)cc1F ZINC000035603983 188111282 /nfs/dbraw/zinc/11/12/82/188111282.db2.gz JLJKOIFBNPENFT-UHFFFAOYSA-N 1 0 240.278 0.785 10 0 BCAERO O=C(N[C@@]12C[C@@H]1CCCC2)[C@H]1C[NH2+]CCOC1 ZINC000638974909 353180645 /nfs/dbraw/zinc/18/06/45/353180645.db2.gz VTSRMZGSSXZZPK-GVXVVHGQSA-N 1 0 238.331 0.671 10 0 BCAERO COc1ccccc1NC(=O)N[C@@H]1C[C@@H]1[NH3+] ZINC000036263245 188112665 /nfs/dbraw/zinc/11/26/65/188112665.db2.gz SPVDNPZNOUBDAB-IONNQARKSA-N 1 0 221.260 0.916 10 0 BCAERO Cn1nnnc1SCc1cccc(C[NH3+])c1 ZINC000035722693 180876735 /nfs/dbraw/zinc/87/67/35/180876735.db2.gz IBWNMNBLFYFHIC-UHFFFAOYSA-N 1 0 235.316 0.961 10 0 BCAERO C1CC1[N@@H+]1CCC[C@@H](N2CCOCC2)C1 ZINC000073653261 188114776 /nfs/dbraw/zinc/11/47/76/188114776.db2.gz GXXIGMYDFLZCEJ-GFCCVEGCSA-N 1 0 210.321 0.945 10 0 BCAERO Cc1ccc(C(=O)NCC[NH2+][C@@H](C)C(N)=O)cc1 ZINC000037902874 188114990 /nfs/dbraw/zinc/11/49/90/188114990.db2.gz XXZAZDOMCYYZDU-JTQLQIEISA-N 1 0 249.314 0.188 10 0 BCAERO CC(C)(C)[C@H](C(=O)[O-])[N@@H+]1CCC[NH2+]CC1 ZINC000041051835 188117850 /nfs/dbraw/zinc/11/78/50/188117850.db2.gz MNVCBTWPJDDQGV-VIFPVBQESA-N 1 0 214.309 0.781 10 0 BCAERO CC(C)(NC(=O)C1([NH3+])CCCCC1)C(N)=O ZINC000040675486 188118289 /nfs/dbraw/zinc/11/82/89/188118289.db2.gz MYOHXCSFPMKCSN-UHFFFAOYSA-N 1 0 227.308 0.028 10 0 BCAERO CC(C)N(CC(N)=O)C(=O)C[C@H]1CCCC[NH2+]1 ZINC000042439050 188119767 /nfs/dbraw/zinc/11/97/67/188119767.db2.gz ISGAVKAXKBWHJT-SNVBAGLBSA-N 1 0 241.335 0.241 10 0 BCAERO CC(C)C[C@@H]([NH3+])[C@H]1CCS(=O)(=O)C1 ZINC000043300137 188121971 /nfs/dbraw/zinc/12/19/71/188121971.db2.gz IISLJZCXUAYROB-DTWKUNHWSA-N 1 0 205.323 0.795 10 0 BCAERO CC(C)([NH3+])c1noc(CN2CCCC2=O)n1 ZINC000043402332 188122187 /nfs/dbraw/zinc/12/21/87/188122187.db2.gz AMRAKPRINBDKQI-UHFFFAOYSA-N 1 0 224.264 0.386 10 0 BCAERO CC(=O)Nc1nc(C(F)(F)F)n2c1CNCC2 ZINC000089195523 188144538 /nfs/dbraw/zinc/14/45/38/188144538.db2.gz XEHLBEOPTBQSJO-UHFFFAOYSA-N 1 0 248.208 0.964 10 0 BCAERO CC(C)[C@H](CN(C)C)[NH2+]CC(=O)NCC1CC1 ZINC000049216107 188124972 /nfs/dbraw/zinc/12/49/72/188124972.db2.gz HBNDVCXSWJXAEE-LBPRGKRZSA-N 1 0 241.379 0.688 10 0 BCAERO CC(C)N(C)C(=O)C[NH2+][C@@H]1CCCC[C@@H]1O ZINC000052013273 188126191 /nfs/dbraw/zinc/12/61/91/188126191.db2.gz SMBGQBWAQNMQHH-MNOVXSKESA-N 1 0 228.336 0.746 10 0 BCAERO CC(=O)N1CCC([NH2+]Cc2[nH]cnc2C)CC1 ZINC000054796236 188126910 /nfs/dbraw/zinc/12/69/10/188126910.db2.gz JYJMIIFHWJJQHG-UHFFFAOYSA-N 1 0 236.319 0.819 10 0 BCAERO CC(C)(NC(=O)[C@@H]1CCC[C@@H](C[NH3+])C1)C(N)=O ZINC000055161928 188127218 /nfs/dbraw/zinc/12/72/18/188127218.db2.gz IWNZIKRORHQFPV-RKDXNWHRSA-N 1 0 241.335 0.132 10 0 BCAERO CC(C)[C@H]([NH3+])c1noc([C@@H]2COCCO2)n1 ZINC000055305568 188127255 /nfs/dbraw/zinc/12/72/55/188127255.db2.gz QYKHMBDMXLCJRC-YUMQZZPRSA-N 1 0 227.264 0.813 10 0 BCAERO CC(C)N(CCO)C(=O)[C@H]1CCC[C@@H](C[NH3+])C1 ZINC000055147351 188127266 /nfs/dbraw/zinc/12/72/66/188127266.db2.gz DPOQDOQJRRISQF-NEPJUHHUSA-N 1 0 242.363 0.981 10 0 BCAERO CCCn1ccnc(OC2CC[NH2+]CC2)c1=O ZINC000061771479 188128283 /nfs/dbraw/zinc/12/82/83/188128283.db2.gz ALVZTLCQEZLHBW-UHFFFAOYSA-N 1 0 237.303 0.784 10 0 BCAERO CC(=O)N1C[C@H]([NH3+])[C@H](c2ccccc2)C1 ZINC000082928446 188140490 /nfs/dbraw/zinc/14/04/90/188140490.db2.gz JVRHFFSHBQGXFS-RYUDHWBXSA-N 1 0 204.273 0.960 10 0 BCAERO CC(C)C[C@@H]([NH3+])C(=O)N1CCN(C)C(C)(C)C1 ZINC000104144425 188150344 /nfs/dbraw/zinc/15/03/44/188150344.db2.gz XMUZOXMSMYFRMY-LLVKDONJSA-N 1 0 241.379 0.912 10 0 BCAERO CNC(=O)CC[NH2+]Cc1cnc2cc(C)nn2c1 ZINC000104256141 188151339 /nfs/dbraw/zinc/15/13/39/188151339.db2.gz WCAPOORAKZJRKF-UHFFFAOYSA-N 1 0 247.302 0.263 10 0 BCAERO CCCn1ccnc1C[NH2+][C@@H]1CCC(=O)NC1 ZINC000104343453 188151439 /nfs/dbraw/zinc/15/14/39/188151439.db2.gz JSGLNOJNYVKAHH-SNVBAGLBSA-N 1 0 236.319 0.661 10 0 BCAERO COC[C@H](C)C(=O)N1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000237231051 188153587 /nfs/dbraw/zinc/15/35/87/188153587.db2.gz CHPKIGYXHVGYHU-AXFHLTTASA-N 1 0 228.336 0.997 10 0 BCAERO Cc1nn(C)cc1CN1CCC[C@H]1C[NH3+] ZINC000020315799 188175889 /nfs/dbraw/zinc/17/58/89/188175889.db2.gz ZFXROVHLUZVRBK-NSHDSACASA-N 1 0 208.309 0.652 10 0 BCAERO Cc1oncc1C(=O)N1CC[NH2+]C[C@@H]1C ZINC000054370450 188176919 /nfs/dbraw/zinc/17/69/19/188176919.db2.gz PAUMSVARYFPDKS-ZETCQYMHSA-N 1 0 209.249 0.417 10 0 BCAERO CC(C)Cn1cnnc1[C@@H]1C[NH2+]CCO1 ZINC000054526293 188177309 /nfs/dbraw/zinc/17/73/09/188177309.db2.gz KMGKJQUYLXVYLI-VIFPVBQESA-N 1 0 210.281 0.595 10 0 BCAERO CC(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@H](C)[NH3+] ZINC000121776007 188179272 /nfs/dbraw/zinc/17/92/72/188179272.db2.gz PIIQFDWUKLZRNO-AEJSXWLSSA-N 1 0 214.309 0.511 10 0 BCAERO CC(C)(C)[C@H](C[NH3+])N1CCNC(=O)CC1 ZINC000062099550 188184634 /nfs/dbraw/zinc/18/46/34/188184634.db2.gz JBKZVFBRCDTCTL-VIFPVBQESA-N 1 0 213.325 0.182 10 0 BCAERO C[C@@H](CC(N)=S)[N@@H+]1CC[C@H](O)[C@H](C)C1 ZINC000126952912 353261344 /nfs/dbraw/zinc/26/13/44/353261344.db2.gz RKBXXIFLTXIZFN-VGMNWLOBSA-N 1 0 216.350 0.754 10 0 BCAERO CC(C)C[C@H]1CN(S(C)(=O)=O)CC[NH2+]1 ZINC000062610305 188223930 /nfs/dbraw/zinc/22/39/30/188223930.db2.gz ZGWYENJNCLJNEZ-VIFPVBQESA-N 1 0 220.338 0.266 10 0 BCAERO COC[C@H]([NH3+])C(=O)N[C@@H]1CC[C@@H](C)C[C@H]1C ZINC000252210153 353299108 /nfs/dbraw/zinc/29/91/08/353299108.db2.gz XXYPONUINQFSJJ-CHWFTXMASA-N 1 0 228.336 0.901 10 0 BCAERO [NH3+][C@@]1([C@@H]2CCSC2)CCS(=O)(=O)C1 ZINC000405383808 353320016 /nfs/dbraw/zinc/32/00/16/353320016.db2.gz KEMVJWBRTVTDJO-SFYZADRCSA-N 1 0 221.347 0.256 10 0 BCAERO CC[C@H]([NH3+])C(=O)Nc1ccc(Cl)nn1 ZINC000160180896 353376542 /nfs/dbraw/zinc/37/65/42/353376542.db2.gz MNWJZOXRIQXSQF-YFKPBYRVSA-N 1 0 214.656 0.806 10 0 BCAERO CC(C)[N@H+](C)C[C@H](O)Cn1ccc(N)n1 ZINC000308982451 538117555 /nfs/dbraw/zinc/11/75/55/538117555.db2.gz FLOFNDFMNDZZDV-VIFPVBQESA-N 1 0 212.297 0.166 10 0 BCAERO O=C1CC[C@H](C[NH2+]Cc2cccnc2)N1 ZINC000019087863 538117673 /nfs/dbraw/zinc/11/76/73/538117673.db2.gz WFHOXWXXVXPXAG-SNVBAGLBSA-N 1 0 205.261 0.450 10 0 BCAERO C[NH2+][C@H]1CCN([C@@H]2CCSC2)C1=O ZINC000231355332 353596074 /nfs/dbraw/zinc/59/60/74/353596074.db2.gz DKLZORNSSJLCHS-SFYZADRCSA-N 1 0 200.307 0.312 10 0 BCAERO COCCOCC[N@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000231670660 353642177 /nfs/dbraw/zinc/64/21/77/353642177.db2.gz WVFGRMDJJMBFBQ-LBPRGKRZSA-N 1 0 230.352 0.723 10 0 BCAERO C[N@H+](CCN1CCOCC1)[C@@H]1CCC[NH2+]CC1 ZINC000231669025 353642424 /nfs/dbraw/zinc/64/24/24/353642424.db2.gz PPXIXRXFAHUWQD-CYBMUJFWSA-N 1 0 241.379 0.393 10 0 BCAERO CN(C(=O)[C@H]1COCCO1)[C@@H]1CCC[NH2+]CC1 ZINC000231475487 353606618 /nfs/dbraw/zinc/60/66/18/353606618.db2.gz ZRCZWWDXXJNPLM-GHMZBOCLSA-N 1 0 242.319 0.002 10 0 BCAERO NC(=O)c1ccc([C@H]2C[NH2+]CCOC2)cc1 ZINC000223279175 353618754 /nfs/dbraw/zinc/61/87/54/353618754.db2.gz RXTVDMPKFOCKPP-NSHDSACASA-N 1 0 220.272 0.489 10 0 BCAERO Cc1oncc1C(=O)N1CCC[C@H]1C[NH3+] ZINC000082640896 188478380 /nfs/dbraw/zinc/47/83/80/188478380.db2.gz KOEFUSHMQVZEFG-QMMMGPOBSA-N 1 0 209.249 0.546 10 0 BCAERO CC(C)([NH3+])c1noc([C@@H]2COCCO2)n1 ZINC000055305591 188484351 /nfs/dbraw/zinc/48/43/51/188484351.db2.gz KUKIUTIJJKVTSS-LURJTMIESA-N 1 0 213.237 0.351 10 0 BCAERO CNC(=O)CC[NH2+]CCc1ccc(OC)cc1 ZINC000051758065 188482541 /nfs/dbraw/zinc/48/25/41/188482541.db2.gz WCHODNNIRPFNON-UHFFFAOYSA-N 1 0 236.315 0.963 10 0 BCAERO COC[C@H]([NH3+])C(=O)N[C@@H]1CC[C@@H](C)C[C@@H]1C ZINC000220180294 353820180 /nfs/dbraw/zinc/82/01/80/353820180.db2.gz XXYPONUINQFSJJ-VPOLOUISSA-N 1 0 228.336 0.901 10 0 BCAERO O=C1N[C@@H]2C[NH2+]CC[C@H]2N1C1CCCC1 ZINC000606303047 353858598 /nfs/dbraw/zinc/85/85/98/353858598.db2.gz FHBVAGJNGYCSEU-NXEZZACHSA-N 1 0 209.293 0.685 10 0 BCAERO CO[C@H]1CN(Cc2cc(C)no2)[C@](C)(C[NH3+])C1 ZINC000630079608 363290910 /nfs/dbraw/zinc/29/09/10/363290910.db2.gz YUWMLLHFTHQKQR-NEPJUHHUSA-N 1 0 239.319 0.921 10 0 BCAERO Cn1ccs/c1=N\C(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000163227911 188581848 /nfs/dbraw/zinc/58/18/48/188581848.db2.gz SZHBMSZDUWFNPO-JDKLRLMGSA-N 1 0 225.317 0.641 10 0 BCAERO CC1(C)C[N@@H+]([C@H]2CCOC2)C[C@@H](CO)O1 ZINC000231332825 363342145 /nfs/dbraw/zinc/34/21/45/363342145.db2.gz LKDDBQLJFIUEHN-UWVGGRQHSA-N 1 0 215.293 0.247 10 0 BCAERO C[C@@H]1CC[C@H](CN2CCO[C@@H](CO)C2)O1 ZINC000232031289 363360688 /nfs/dbraw/zinc/36/06/88/363360688.db2.gz RGZFZXIUAVXQGK-GMTAPVOTSA-N 1 0 215.293 0.247 10 0 BCAERO C[NH2+]C[C@@H]1C(C)(C)[C@@]12CCS(=O)(=O)C2 ZINC000301033014 363356343 /nfs/dbraw/zinc/35/63/43/363356343.db2.gz VRSGMWNDDDSFGG-PSASIEDQSA-N 1 0 217.334 0.667 10 0 BCAERO C[NH2+]C[C@@H]1C(C)(C)[C@]12CCS(=O)(=O)C2 ZINC000301033015 363356572 /nfs/dbraw/zinc/35/65/72/363356572.db2.gz VRSGMWNDDDSFGG-SCZZXKLOSA-N 1 0 217.334 0.667 10 0 BCAERO Cn1c(Cl)cnc1[C@H]1OCC[C@@H]1[NH3+] ZINC000301040729 363368776 /nfs/dbraw/zinc/36/87/76/363368776.db2.gz WEMOLFPUJWSYQF-FSPLSTOPSA-N 1 0 201.657 0.862 10 0 BCAERO CO[C@H]1C[C@H](CO)[N@H+](CCCOC(C)C)C1 ZINC000344746924 354349064 /nfs/dbraw/zinc/34/90/64/354349064.db2.gz UOIJEOULNJMXSJ-NEPJUHHUSA-N 1 0 231.336 0.883 10 0 BCAERO Cc1noc(C)c1C[N@@H+]1C[C@@H](O)C[C@@H]1CO ZINC000179177558 366218266 /nfs/dbraw/zinc/21/82/66/366218266.db2.gz DSHHGSWOZKSOOZ-ZJUUUORDSA-N 1 0 226.276 0.219 10 0 BCAERO Cc1noc(C)c1C[N@@H+]1C[C@H](O)C[C@@H]1CO ZINC000179177546 366218297 /nfs/dbraw/zinc/21/82/97/366218297.db2.gz DSHHGSWOZKSOOZ-NXEZZACHSA-N 1 0 226.276 0.219 10 0 BCAERO CNC(=O)[C@H]1CCC[N@H+](CC2(O)CCC2)C1 ZINC000334762275 354582130 /nfs/dbraw/zinc/58/21/30/354582130.db2.gz QQRBHMBRZTZWKS-JTQLQIEISA-N 1 0 226.320 0.359 10 0 BCAERO CC(C)OCC(=O)N1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000232682813 363379830 /nfs/dbraw/zinc/37/98/30/363379830.db2.gz WMXAYSWJRXGYNR-BDAKNGLRSA-N 1 0 200.282 0.217 10 0 BCAERO CC[C@@H]([NH3+])[C@H](O)c1ncc(Cl)n1C ZINC000301048079 363380101 /nfs/dbraw/zinc/38/01/01/363380101.db2.gz ZBFYUCRBSUBFQS-VDTYLAMSSA-N 1 0 203.673 0.844 10 0 BCAERO CC(C)OCC(=O)N1C[C@H]([NH3+])[C@@H](C)C1 ZINC000232683046 363380145 /nfs/dbraw/zinc/38/01/45/363380145.db2.gz WMXAYSWJRXGYNR-IUCAKERBSA-N 1 0 200.282 0.217 10 0 BCAERO Cc1ncc(C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)s1 ZINC000235379692 363442522 /nfs/dbraw/zinc/44/25/22/363442522.db2.gz OKOJBXGWITUTLQ-HTRCEHHLSA-N 1 0 225.317 0.871 10 0 BCAERO C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@@H](C)O1 ZINC000346535250 354979552 /nfs/dbraw/zinc/97/95/52/354979552.db2.gz ZSWCEQFXPWATCM-GMTAPVOTSA-N 1 0 226.320 0.716 10 0 BCAERO NC(=[NH2+])CCN(c1ccnc(C(N)=O)c1)C1CC1 ZINC000042548279 181187000 /nfs/dbraw/zinc/18/70/00/181187000.db2.gz BOGGDUYWXFRBJI-UHFFFAOYSA-N 1 0 247.302 0.475 10 0 BCAERO NC(=[NH2+])C[C@@H](O)COc1ccc(F)cc1 ZINC000040539134 181186348 /nfs/dbraw/zinc/18/63/48/181186348.db2.gz UTSISSVSOGDSKB-MRVPVSSYSA-N 1 0 212.224 0.891 10 0 BCAERO N#Cc1cnccc1N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000399090514 355358551 /nfs/dbraw/zinc/35/85/51/355358551.db2.gz TUNVYRWNTXZZEY-MWLCHTKSSA-N 1 0 216.288 0.914 10 0 BCAERO NC(=[NH2+])c1ccc(Cn2cncn2)c(F)c1 ZINC000019485853 181194960 /nfs/dbraw/zinc/19/49/60/181194960.db2.gz WPWMGUYDLXBCJH-UHFFFAOYSA-N 1 0 219.223 0.750 10 0 BCAERO NC(=[NH2+])c1ccc(SC[C@H](O)CO)cc1 ZINC000062566051 181195558 /nfs/dbraw/zinc/19/55/58/181195558.db2.gz MKHALBMREWOENC-MRVPVSSYSA-N 1 0 226.301 0.416 10 0 BCAERO C[C@]1(NC(N)N=N)CC[N@H+](Cc2ccccc2)C1 ZINC000405982478 355521990 /nfs/dbraw/zinc/52/19/90/355521990.db2.gz FEWVVFJZUAKQEV-ZDUSSCGKSA-N 1 0 247.346 0.639 10 0 BCAERO CC(C)n1nnnc1CN1CC[C@H]([NH3+])[C@H](C)C1 ZINC000583565451 355647765 /nfs/dbraw/zinc/64/77/65/355647765.db2.gz SZGOKSFZNHEKLJ-ZJUUUORDSA-N 1 0 238.339 0.423 10 0 BCAERO CC[C@](C)(C[NH2+][C@@H]1CCNC1=O)OC ZINC000639304297 355659014 /nfs/dbraw/zinc/65/90/14/355659014.db2.gz XJRXHIYIUCQQAZ-PSASIEDQSA-N 1 0 200.282 0.280 10 0 BCAERO COCC1(C[NH2+]C[C@H]2CC(=O)N(C)C2)CCC1 ZINC000639320567 355721499 /nfs/dbraw/zinc/72/14/99/355721499.db2.gz KAMFQVDYSPNLEQ-LLVKDONJSA-N 1 0 240.347 0.871 10 0 BCAERO CN1C[C@@H](C[NH2+]CCC2CCOCC2)CC1=O ZINC000639322840 355713838 /nfs/dbraw/zinc/71/38/38/355713838.db2.gz XXCUBOCMTWCLOD-GFCCVEGCSA-N 1 0 240.347 0.871 10 0 BCAERO CCN1CC[C@H]([NH2+][C@H](C)CS(=O)(=O)CC)C1 ZINC000389169352 355755348 /nfs/dbraw/zinc/75/53/48/355755348.db2.gz NITDTTDPELAGIA-MNOVXSKESA-N 1 0 248.392 0.493 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)N(C)C2CC([NH3+])C2)O1 ZINC000395204561 355758594 /nfs/dbraw/zinc/75/85/94/355758594.db2.gz HBKUMEZOTHIBKT-SEZDTBSWSA-N 1 0 212.293 0.502 10 0 BCAERO CO[C@@](C)(C[NH2+]C[C@H]1CC(=O)N(C)C1)C1CC1 ZINC000639322571 355723567 /nfs/dbraw/zinc/72/35/67/355723567.db2.gz WKGNMHDMNITYIT-MFKMUULPSA-N 1 0 240.347 0.869 10 0 BCAERO CCOC(=O)C[C@H](O)C[N@@H+]1C[C@H](O)CC[C@@H]1C ZINC000399162587 355778147 /nfs/dbraw/zinc/77/81/47/355778147.db2.gz AHVRUGVIOFJUFW-AXFHLTTASA-N 1 0 245.319 0.146 10 0 BCAERO CO[C@H](C[NH2+][C@H]1CCOC[C@@H]1O)C1CC1 ZINC000639353734 355803403 /nfs/dbraw/zinc/80/34/03/355803403.db2.gz ANWJVAIKUYIPGM-GARJFASQSA-N 1 0 215.293 0.151 10 0 BCAERO CC[C@](C)(C[NH2+][C@H]1CCOC[C@H]1O)OC ZINC000639355837 355809809 /nfs/dbraw/zinc/80/98/09/355809809.db2.gz ZCZDIFNJHRLNCT-HBNTYKKESA-N 1 0 217.309 0.541 10 0 BCAERO C[C@@H]1C[C@H]([NH2+][C@H]2CCOC[C@H]2O)CS1 ZINC000639355791 355809865 /nfs/dbraw/zinc/80/98/65/355809865.db2.gz YMMFDZOQCVASMC-XFWSIPNHSA-N 1 0 217.334 0.620 10 0 BCAERO CC[C@](C)(C[NH2+][C@H]1CCOC[C@@H]1O)OC ZINC000639355835 355810016 /nfs/dbraw/zinc/81/00/16/355810016.db2.gz ZCZDIFNJHRLNCT-GARJFASQSA-N 1 0 217.309 0.541 10 0 BCAERO NC(=O)C1([NH2+]C2CC2)CCSCC1 ZINC000041048799 181213686 /nfs/dbraw/zinc/21/36/86/181213686.db2.gz GPZOGJYJXUZQAC-UHFFFAOYSA-N 1 0 200.307 0.490 10 0 BCAERO NC(=O)C1([NH2+]C[C@@H]2CCCO2)CCSCC1 ZINC000041048790 181214358 /nfs/dbraw/zinc/21/43/58/181214358.db2.gz KRKZTJQFLIPBLK-VIFPVBQESA-N 1 0 244.360 0.506 10 0 BCAERO NC(=O)C1CCN([C@@H]2CCC[C@@H]2[NH3+])CC1 ZINC000040431145 181217367 /nfs/dbraw/zinc/21/73/67/181217367.db2.gz MHPQGWMFHPHOEA-VHSXEESVSA-N 1 0 211.309 0.064 10 0 BCAERO NC(=O)C1CCN([C@@H]2CCCC[C@H]2[NH3+])CC1 ZINC000040431748 181217421 /nfs/dbraw/zinc/21/74/21/181217421.db2.gz OAQFWQMWBQQCGR-GHMZBOCLSA-N 1 0 225.336 0.454 10 0 BCAERO NC(=O)CCC[C@H]([NH3+])c1ccc2c(c1)CC(=O)N2 ZINC000037635934 181222660 /nfs/dbraw/zinc/22/26/60/181222660.db2.gz LTQXMMCWYBSUDV-JTQLQIEISA-N 1 0 247.298 0.837 10 0 BCAERO NC(=O)CNCc1n[nH]nc1-c1ccccc1 ZINC000104361459 181234912 /nfs/dbraw/zinc/23/49/12/181234912.db2.gz ZLWOLEAKIUAVGW-UHFFFAOYSA-N 1 0 231.259 0.047 10 0 BCAERO NC(=O)CNCc1cnn(-c2ccccc2)c1 ZINC000021953618 181236167 /nfs/dbraw/zinc/23/61/67/181236167.db2.gz BXILCVVSJLAJSU-UHFFFAOYSA-N 1 0 230.271 0.447 10 0 BCAERO NC(=O)C[NH2+][C@@H]1CCc2c1cccc2O ZINC000036851772 181236441 /nfs/dbraw/zinc/23/64/41/181236441.db2.gz ICMAJOMAZRJHND-SECBINFHSA-N 1 0 206.245 0.454 10 0 BCAERO NC(=O)C[NH2+][C@H]1CCc2ccccc2C1 ZINC000035011261 181236856 /nfs/dbraw/zinc/23/68/56/181236856.db2.gz KJUIYOZIYAEWRW-NSHDSACASA-N 1 0 204.273 0.619 10 0 BCAERO NC(=O)CCNC1=[NH+]C2(CCCC2)CS1 ZINC000053047006 181225415 /nfs/dbraw/zinc/22/54/15/181225415.db2.gz IPZUUOBZMIALFZ-UHFFFAOYSA-N 1 0 227.333 0.867 10 0 BCAERO NC(=O)CC[NH2+][C@@H]1COc2cc(O)ccc21 ZINC000036746929 181225423 /nfs/dbraw/zinc/22/54/23/181225423.db2.gz GMFYLYSVXDJUOR-SECBINFHSA-N 1 0 222.244 0.291 10 0 BCAERO NC(=O)CC[NH2+]C[C@@H](O)COC1CCCCC1 ZINC000037891533 181225695 /nfs/dbraw/zinc/22/56/95/181225695.db2.gz YJZGKZMQPROCJI-SNVBAGLBSA-N 1 0 244.335 0.162 10 0 BCAERO NC(=O)CC[NH2+][C@H]1COc2cc(O)ccc21 ZINC000036746928 181225993 /nfs/dbraw/zinc/22/59/93/181225993.db2.gz GMFYLYSVXDJUOR-VIFPVBQESA-N 1 0 222.244 0.291 10 0 BCAERO NC(=O)CCn1c(N)[nH+]c2ccc(F)cc21 ZINC000052122958 181227570 /nfs/dbraw/zinc/22/75/70/181227570.db2.gz XNESJHDOVLBAIM-UHFFFAOYSA-N 1 0 222.223 0.633 10 0 BCAERO NC(=O)CN(C1CCCC1)[C@@H]1CCC[C@@H]1[NH3+] ZINC000042438620 181229859 /nfs/dbraw/zinc/22/98/59/181229859.db2.gz BISQCLCEARNDMO-WDEREUQCSA-N 1 0 225.336 0.596 10 0 BCAERO NC(=O)C[C@@H]([NH3+])c1ccc(F)c(F)c1 ZINC000020578209 181241758 /nfs/dbraw/zinc/24/17/58/181241758.db2.gz ZVIKSPVBVACRDT-MRVPVSSYSA-N 1 0 200.188 0.840 10 0 BCAERO NC(=O)N1CCC([NH2+][C@@H]2CCCC[C@@H]2O)CC1 ZINC000052000506 181250429 /nfs/dbraw/zinc/25/04/29/181250429.db2.gz PYEXWPDVWIVHCV-MNOVXSKESA-N 1 0 241.335 0.423 10 0 BCAERO NC(=O)C[C@H]([NH3+])c1ccc2c(c1)OCO2 ZINC000036904301 181245275 /nfs/dbraw/zinc/24/52/75/181245275.db2.gz BCEAGWYNRIWXMP-ZETCQYMHSA-N 1 0 208.217 0.291 10 0 BCAERO NC(=O)C[C@H]([NH3+])c1cccc(F)c1F ZINC000044250908 181245314 /nfs/dbraw/zinc/24/53/14/181245314.db2.gz GLGKDSRQDSCOBH-ZETCQYMHSA-N 1 0 200.188 0.840 10 0 BCAERO O[C@@H]1C[NH2+]C[C@H]1CNc1ncccc1F ZINC000420253009 192187655 /nfs/dbraw/zinc/18/76/55/192187655.db2.gz PBSLGWLTCNHCTP-IONNQARKSA-N 1 0 211.240 0.213 10 0 BCAERO CC(C)Oc1cncc(NC2C[NH2+]C2)n1 ZINC000085256578 356299984 /nfs/dbraw/zinc/29/99/84/356299984.db2.gz XZNLQJFPXZNUTL-UHFFFAOYSA-N 1 0 208.265 0.648 10 0 BCAERO NC(=O)[C@@H]([NH3+])CCN1CCc2ccccc21 ZINC000062439232 181264982 /nfs/dbraw/zinc/26/49/82/181264982.db2.gz WEFTXWAZNAMAAO-JTQLQIEISA-N 1 0 219.288 0.252 10 0 BCAERO NC(=O)[C@@H]1CCCCN1C[C@@H]1CCC[NH2+]1 ZINC000043495715 181267116 /nfs/dbraw/zinc/26/71/16/181267116.db2.gz YMZDZPZUGUFDIX-UWVGGRQHSA-N 1 0 211.309 0.078 10 0 BCAERO NC(=O)[C@@H]1CCCCN1[C@@H]1CCC[NH2+]C1 ZINC000043501347 181267768 /nfs/dbraw/zinc/26/77/68/181267768.db2.gz BMYOCNNIMKGTJU-ZJUUUORDSA-N 1 0 211.309 0.078 10 0 BCAERO CC[NH2+][C@H](C)CNc1ncnc2nc[nH]c21 ZINC000395650593 356363328 /nfs/dbraw/zinc/36/33/28/356363328.db2.gz RAZYJPUBGXVPPD-SSDOTTSWSA-N 1 0 220.280 0.714 10 0 BCAERO NC(=O)[C@@H]1CCC[N@@H+]1CCc1ccccc1N ZINC000052918235 181269872 /nfs/dbraw/zinc/26/98/72/181269872.db2.gz NANVJXJEFNHNQA-LBPRGKRZSA-N 1 0 233.315 0.761 10 0 BCAERO NC(=O)[C@@]1([NH2+]C[C@@H]2CCCO2)CCSC1 ZINC000037942913 181275684 /nfs/dbraw/zinc/27/56/84/181275684.db2.gz PTQWLPWYNBAOOD-WCBMZHEXSA-N 1 0 230.333 0.116 10 0 BCAERO C(CN1CCO[C@@H]2C[NH2+]C[C@@H]21)[C@H]1CCCCO1 ZINC000420398409 192237964 /nfs/dbraw/zinc/23/79/64/192237964.db2.gz GUFWIUYSFWAZQM-FRRDWIJNSA-N 1 0 240.347 0.618 10 0 BCAERO NC(=O)[C@@]1(O)CCC[N@H+](CCCCCF)C1 ZINC000375498397 181275919 /nfs/dbraw/zinc/27/59/19/181275919.db2.gz LNPZMCGHURJHLU-LLVKDONJSA-N 1 0 232.299 0.438 10 0 BCAERO NC(=O)[C@H]([NH3+])Cn1cc(-c2ccccc2)cn1 ZINC000054961878 181277132 /nfs/dbraw/zinc/27/71/32/181277132.db2.gz PYABEIHTTXCXCO-LLVKDONJSA-N 1 0 230.271 0.363 10 0 BCAERO COCC[C@@H](C)[N@@H+]1CCO[C@@H](CO)C1 ZINC000228269875 491092972 /nfs/dbraw/zinc/09/29/72/491092972.db2.gz QHVNRORADOFNTM-NXEZZACHSA-N 1 0 203.282 0.105 10 0 BCAERO NC(=O)[C@H]([NH2+]CC1CC1)c1cccnc1 ZINC000038000927 181277886 /nfs/dbraw/zinc/27/78/86/181277886.db2.gz BJHWWONAPCIGHN-SNVBAGLBSA-N 1 0 205.261 0.608 10 0 BCAERO NC(=O)[C@]1([NH2+]C2CCCC2)CCN(C2CC2)C1 ZINC000061991091 181284418 /nfs/dbraw/zinc/28/44/18/181284418.db2.gz YRHHBVOVAKLLSF-ZDUSSCGKSA-N 1 0 237.347 0.611 10 0 BCAERO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1C(=O)NC[C@H]1CC[NH2+]C1 ZINC000252513812 363514166 /nfs/dbraw/zinc/51/41/66/363514166.db2.gz WACAJZVKPOEWTE-HHHUOAJASA-N 1 0 240.347 0.772 10 0 BCAERO COC(=O)[C@@H]1CC[NH2+][C@H]([C@@H]2CCCO2)C1 ZINC000675050607 538472412 /nfs/dbraw/zinc/47/24/12/538472412.db2.gz ZYDKDGJNQHDKSV-UTLUCORTSA-N 1 0 213.277 0.707 10 0 BCAERO C[C@@]1(C[NH3+])CN(C(=O)C2CCC2)CCO1 ZINC000675058931 538482018 /nfs/dbraw/zinc/48/20/18/538482018.db2.gz COFPFDLPJIOSIA-LLVKDONJSA-N 1 0 212.293 0.363 10 0 BCAERO COc1nscc1[C@H]1CC[NH2+]C[C@@H]1N ZINC000675058969 538482043 /nfs/dbraw/zinc/48/20/43/538482043.db2.gz DWKSARVQXRJJJC-SVRRBLITSA-N 1 0 213.306 0.556 10 0 BCAERO CC[C@@]1(C[NH3+])CN(C(=O)CC2CC2)CCO1 ZINC000675058844 538482100 /nfs/dbraw/zinc/48/21/00/538482100.db2.gz ARLWDARQQDITNU-GFCCVEGCSA-N 1 0 226.320 0.753 10 0 BCAERO CCNC(=O)NC[C@@]1(CC)C[NH2+]CCO1 ZINC000675058974 538482483 /nfs/dbraw/zinc/48/24/83/538482483.db2.gz FAFKDADJRKQCGG-SNVBAGLBSA-N 1 0 215.297 0.074 10 0 BCAERO C[C@@]1(C[NH3+])CN(C(=O)C2CCCC2)CCO1 ZINC000675058922 538482542 /nfs/dbraw/zinc/48/25/42/538482542.db2.gz CAVKRCCSNRUFEA-GFCCVEGCSA-N 1 0 226.320 0.753 10 0 BCAERO CC(C)[C@H](C)NC(=O)N1CCO[C@](C)(C[NH3+])C1 ZINC000675059286 538483224 /nfs/dbraw/zinc/48/32/24/538483224.db2.gz MRGWOVGOYIOVBD-CMPLNLGQSA-N 1 0 243.351 0.790 10 0 BCAERO CC[C@@]1(C[NH3+])CN(C(=O)C2(C)CC2)CCO1 ZINC000675058947 538483480 /nfs/dbraw/zinc/48/34/80/538483480.db2.gz DKFZINMIXFPBHE-GFCCVEGCSA-N 1 0 226.320 0.753 10 0 BCAERO CCC[C@@]1(C[NH3+])CN(C(=O)CCOC)CCO1 ZINC000675059294 538483490 /nfs/dbraw/zinc/48/34/90/538483490.db2.gz NCZNKNGEUIAMBP-GFCCVEGCSA-N 1 0 244.335 0.379 10 0 BCAERO C[C@]1(C[NH3+])CN(C(=O)CC2CC2)CCO1 ZINC000675059127 538483656 /nfs/dbraw/zinc/48/36/56/538483656.db2.gz KWTMQMGCFXKQGQ-NSHDSACASA-N 1 0 212.293 0.363 10 0 BCAERO O=S1(=O)CCN(CC23CCC(CC2)[NH2+]3)CC1 ZINC000675055907 538477124 /nfs/dbraw/zinc/47/71/24/538477124.db2.gz CUYPKTUQICCLCI-UHFFFAOYSA-N 1 0 244.360 0.001 10 0 BCAERO CCNC(=O)N1CC[C@@]2(C[NH3+])CCC[C@@H]12 ZINC000675056186 538477503 /nfs/dbraw/zinc/47/75/03/538477503.db2.gz LHRPOQOLHVXPFF-MWLCHTKSSA-N 1 0 211.309 0.919 10 0 BCAERO CC(C)CC(=O)N1CCO[C@@](C)(C[NH3+])C1 ZINC000675059245 538484561 /nfs/dbraw/zinc/48/45/61/538484561.db2.gz MHYCKPYELWMSGU-NSHDSACASA-N 1 0 214.309 0.609 10 0 BCAERO CC(C)[C@H](C)C(=O)N1CCO[C@](C)(C[NH3+])C1 ZINC000675060002 538485164 /nfs/dbraw/zinc/48/51/64/538485164.db2.gz ZLIWJVHWJBYDOU-CMPLNLGQSA-N 1 0 228.336 0.855 10 0 BCAERO CCC[C@@]1(CNC(=O)CC)C[NH2+]CCO1 ZINC000675059877 538486113 /nfs/dbraw/zinc/48/61/13/538486113.db2.gz WZAHPYBZBBGQQO-NSHDSACASA-N 1 0 214.309 0.671 10 0 BCAERO C[C@H]1CCN(C(=O)[C@H]2CCCO2)C[C@@H]1C[NH3+] ZINC000167623614 134153219 /nfs/dbraw/zinc/15/32/19/134153219.db2.gz QIEBTGBLYQZQKU-GARJFASQSA-N 1 0 226.320 0.609 10 0 BCAERO COC(=O)/C=C/C(=O)NC1CCC([NH3+])CC1 ZINC000675060999 538486734 /nfs/dbraw/zinc/48/67/34/538486734.db2.gz UUCWVCKTPWTZKV-VOTSOKGWSA-N 1 0 226.276 0.102 10 0 BCAERO CCC(=O)Nc1ccc([C@H](O)[C@H]([NH3+])CO)cc1 ZINC000675060983 538487345 /nfs/dbraw/zinc/48/73/45/538487345.db2.gz UGFRHZCWEIFULZ-PWSUYJOCSA-N 1 0 238.287 0.388 10 0 BCAERO [NH3+]Cc1cc(C(=O)[O-])cc2c1OCC[NH2+]C2 ZINC000675070116 538500295 /nfs/dbraw/zinc/50/02/95/538500295.db2.gz LVDKSAYNBCURGU-UHFFFAOYSA-N 1 0 222.244 0.326 10 0 BCAERO CC(C)S(=O)(=O)N[C@@H]1C[C@@H]2C[C@@H](C[NH3+])C[C@@H]12 ZINC000675070302 538500826 /nfs/dbraw/zinc/50/08/26/538500826.db2.gz NYOVRKCSCGGMPG-LMLFDSFASA-N 1 0 246.376 0.688 10 0 BCAERO COCC(=O)NC[C@@H]1C[C@@H]2C[C@H]([NH3+])[C@@H]2C1 ZINC000675070601 538500989 /nfs/dbraw/zinc/50/09/89/538500989.db2.gz PTQCQVYXLJVXCD-KYXWUPHJSA-N 1 0 212.293 0.122 10 0 BCAERO CCCNC(=O)NC[C@]12C[C@H]1CCC[NH2+]2 ZINC000675071223 538501638 /nfs/dbraw/zinc/50/16/38/538501638.db2.gz YODMLRHCRJFPPN-MWLCHTKSSA-N 1 0 211.309 0.838 10 0 BCAERO C[C@H]1CCN(C(=O)[C@H]2CCCO2)C[C@H]1C[NH3+] ZINC000167623819 134153364 /nfs/dbraw/zinc/15/33/64/134153364.db2.gz QIEBTGBLYQZQKU-HBNTYKKESA-N 1 0 226.320 0.609 10 0 BCAERO COC[C@@H](O)CN(C)c1cc[nH+]c(C)c1 ZINC000167623653 134153386 /nfs/dbraw/zinc/15/33/86/134153386.db2.gz IBLZBLZFPROTAQ-NSHDSACASA-N 1 0 210.277 0.834 10 0 BCAERO CC[NH2+]C[C@](O)(C(=O)OC)C(F)(F)F ZINC000675072258 538502523 /nfs/dbraw/zinc/50/25/23/538502523.db2.gz AQQVSEYNURAMFM-LURJTMIESA-N 1 0 215.171 0.062 10 0 BCAERO CC(C)CC(=O)N(C1C[NH2+]C1)[C@@H]1CCOC1 ZINC000675071264 538502530 /nfs/dbraw/zinc/50/25/30/538502530.db2.gz ZJPGELTZHUPQBR-SNVBAGLBSA-N 1 0 226.320 0.622 10 0 BCAERO OC[C@H]1[NH2+]CCOc2c(F)cc(F)cc21 ZINC000675072617 538503698 /nfs/dbraw/zinc/50/36/98/538503698.db2.gz ASRHMBNWGMJBAJ-SECBINFHSA-N 1 0 215.199 0.980 10 0 BCAERO C[C@H]1CCN(c2cnccn2)C[C@@H]1C[NH3+] ZINC000167688605 134153728 /nfs/dbraw/zinc/15/37/28/134153728.db2.gz UECXYYGDTQETFD-UWVGGRQHSA-N 1 0 206.293 0.898 10 0 BCAERO CCCC[NH2+]C[C@@](O)(C(=O)OC)C(F)(F)F ZINC000675073355 538505324 /nfs/dbraw/zinc/50/53/24/538505324.db2.gz NNBXOXOOQPTZDF-MRVPVSSYSA-N 1 0 243.225 0.843 10 0 BCAERO [NH3+][C@@H]1C[C@@H]2C[C@H](CNS(=O)(=O)C3CC3)C[C@@H]12 ZINC000675074133 538507035 /nfs/dbraw/zinc/50/70/35/538507035.db2.gz YCRJCZUIPUFXNV-OINDSLJFSA-N 1 0 244.360 0.442 10 0 BCAERO COC(=O)[C@](O)(C[NH2+]CC(C)C)C(F)(F)F ZINC000675074169 538507039 /nfs/dbraw/zinc/50/70/39/538507039.db2.gz YRXDGEOPVDNAQQ-MRVPVSSYSA-N 1 0 243.225 0.698 10 0 BCAERO COC(=O)[C@](O)(C[NH2+]C1CC1)C(F)(F)F ZINC000675074136 538507095 /nfs/dbraw/zinc/50/70/95/538507095.db2.gz YIEJAPMXSSIIQV-SSDOTTSWSA-N 1 0 227.182 0.205 10 0 BCAERO COCCNC(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000675075075 538508081 /nfs/dbraw/zinc/50/80/81/538508081.db2.gz GGEWGRJVUYMNSW-IUCAKERBSA-N 1 0 215.297 0.059 10 0 BCAERO COC(=O)[C@@H](C)NC[C@@H]1C[NH2+]CC12CC2 ZINC000675076090 538510140 /nfs/dbraw/zinc/51/01/40/538510140.db2.gz YRGFIFDIPFEBNS-BDAKNGLRSA-N 1 0 212.293 0.137 10 0 BCAERO [NH3+]C[C@@H](CO)OCC(F)(F)C(F)F ZINC000675069149 538497637 /nfs/dbraw/zinc/49/76/37/538497637.db2.gz CEHVTIPWZQLKBP-BYPYZUCNSA-N 1 0 205.151 0.223 10 0 BCAERO N[C@@H]1C=C(CCc2ccns2)C[NH2+]C1 ZINC000675077651 538513894 /nfs/dbraw/zinc/51/38/94/538513894.db2.gz GXFCZAHAPUIABB-SECBINFHSA-N 1 0 209.318 0.933 10 0 BCAERO COc1nscc1C1=C[C@@H](O)C[NH2+]C1 ZINC000675077816 538514294 /nfs/dbraw/zinc/51/42/94/538514294.db2.gz RKCITHCKSXRHRS-SSDOTTSWSA-N 1 0 212.274 0.499 10 0 BCAERO COc1ncc(C2=C[C@H](O)C[NH2+]C2)s1 ZINC000675078175 538515041 /nfs/dbraw/zinc/51/50/41/538515041.db2.gz WOVPRPORJCVIFB-ZETCQYMHSA-N 1 0 212.274 0.499 10 0 BCAERO CC(C)n1nncc1C1=C[C@@H]([NH3+])CNC1 ZINC000675078443 538515398 /nfs/dbraw/zinc/51/53/98/538515398.db2.gz PTCUOUSUOZYEJL-SECBINFHSA-N 1 0 207.281 0.173 10 0 BCAERO COc1ccc(C2=C[C@H]([NH3+])CNC2)cn1 ZINC000675078773 538516306 /nfs/dbraw/zinc/51/63/06/538516306.db2.gz SJCLDJPKFCOILH-JTQLQIEISA-N 1 0 205.261 0.404 10 0 BCAERO C[N@H+](C1CC1)[C@@H]1C[C@H]([NH3+])C12CCOCC2 ZINC000675078945 538517826 /nfs/dbraw/zinc/51/78/26/538517826.db2.gz CJGLBNSZJQKDCB-WDEREUQCSA-N 1 0 210.321 0.977 10 0 BCAERO [NH3+][C@H](C1=CCCO1)[C@@H]1CSCCO1 ZINC000168232679 356692288 /nfs/dbraw/zinc/69/22/88/356692288.db2.gz YLXGCALHYPOSNY-DTWKUNHWSA-N 1 0 201.291 0.750 10 0 BCAERO CC(C)(C)OC(=O)N1CC2(C1)OCC[C@@H]2C[NH3+] ZINC000675079729 538518825 /nfs/dbraw/zinc/51/88/25/538518825.db2.gz HKNDQAAWVWRSRS-SECBINFHSA-N 1 0 242.319 0.971 10 0 BCAERO [NH3+][C@H]1C=C(c2cnc(C3CC3)o2)CNC1 ZINC000675077398 538512289 /nfs/dbraw/zinc/51/22/89/538512289.db2.gz DJSKGOQBIZSINR-VIFPVBQESA-N 1 0 205.261 0.866 10 0 BCAERO [NH3+][C@@H]1C=C(c2c(F)cncc2F)CNC1 ZINC000675077345 538512578 /nfs/dbraw/zinc/51/25/78/538512578.db2.gz CRTXGCYVAZNDAY-SSDOTTSWSA-N 1 0 211.215 0.674 10 0 BCAERO COc1ncc(C2=C[C@H]([NH3+])CNC2)s1 ZINC000675077235 538512810 /nfs/dbraw/zinc/51/28/10/538512810.db2.gz BHTGTIVORLRPHR-ZETCQYMHSA-N 1 0 211.290 0.466 10 0 BCAERO Cc1nccn1[C@@H]1CC[C@]([NH3+])(C(N)=O)C1 ZINC000086626635 538558036 /nfs/dbraw/zinc/55/80/36/538558036.db2.gz XFZMBVXMNHXSET-PSASIEDQSA-N 1 0 208.265 0.099 10 0 BCAERO CCS(=O)(=O)N1CC2(C1)CCC[NH2+]C2 ZINC000221258959 538558060 /nfs/dbraw/zinc/55/80/60/538558060.db2.gz IJJHLWOGTZMHTJ-UHFFFAOYSA-N 1 0 218.322 0.022 10 0 BCAERO CN(c1cccc(F)c1C[NH3+])S(C)(=O)=O ZINC000220308979 538537690 /nfs/dbraw/zinc/53/76/90/538537690.db2.gz IOSRICJPNIAARX-UHFFFAOYSA-N 1 0 232.280 0.680 10 0 BCAERO C[C@H](C[NH3+])C1(O)CCC2(CC1)OCCO2 ZINC000085923485 538548806 /nfs/dbraw/zinc/54/88/06/538548806.db2.gz ZWINOBZHTYQBLR-SECBINFHSA-N 1 0 215.293 0.629 10 0 BCAERO C[C@@H](C[NH3+])C1(O)CCC2(CC1)OCCO2 ZINC000085923481 538548912 /nfs/dbraw/zinc/54/89/12/538548912.db2.gz ZWINOBZHTYQBLR-VIFPVBQESA-N 1 0 215.293 0.629 10 0 BCAERO C[C@H](C[NH3+])C1(O)CN(C(=O)OC(C)(C)C)C1 ZINC000085923848 538548928 /nfs/dbraw/zinc/54/89/28/538548928.db2.gz ZRKVAZQFNYPUBI-MRVPVSSYSA-N 1 0 230.308 0.563 10 0 BCAERO CSCC[C@@H](O)[C@@]1(C[NH3+])CCOC1 ZINC000085919228 538548992 /nfs/dbraw/zinc/54/89/92/538548992.db2.gz VOSNOLDUHQRURD-RKDXNWHRSA-N 1 0 205.323 0.466 10 0 BCAERO CC(C)S(=O)(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000382541134 538562074 /nfs/dbraw/zinc/56/20/74/538562074.db2.gz YEHFDOJACXBBMT-DTWKUNHWSA-N 1 0 220.338 0.442 10 0 BCAERO Cc1nccn1[C@H]1CC[C@]([NH3+])(C(N)=O)C1 ZINC000086626637 538557790 /nfs/dbraw/zinc/55/77/90/538557790.db2.gz XFZMBVXMNHXSET-WCBMZHEXSA-N 1 0 208.265 0.099 10 0 BCAERO CN1CC[C@@]2(C1)[NH2+]CCc1ncn(C)c12 ZINC000084258990 538529176 /nfs/dbraw/zinc/52/91/76/538529176.db2.gz GBNZZVHBULKNEG-NSHDSACASA-N 1 0 206.293 0.097 10 0 BCAERO C[C@@H]1C[NH2+]CC[C@H]1CNS(=O)(=O)C1CC1 ZINC000129831756 538578984 /nfs/dbraw/zinc/57/89/84/538578984.db2.gz WDANXPGDDJZWKN-BDAKNGLRSA-N 1 0 232.349 0.314 10 0 BCAERO CCOC(=O)C(=O)C[C@@H]1C[C@@H](C)CC[NH2+]1 ZINC000130311640 538589931 /nfs/dbraw/zinc/58/99/31/538589931.db2.gz LLBFGIQQTDUCMB-IUCAKERBSA-N 1 0 213.277 0.897 10 0 BCAERO CCOC(=O)C(=O)C[C@H]1C[C@H](C)CC[NH2+]1 ZINC000130311461 538590265 /nfs/dbraw/zinc/59/02/65/538590265.db2.gz LLBFGIQQTDUCMB-RKDXNWHRSA-N 1 0 213.277 0.897 10 0 BCAERO COC(=O)C(=O)[C@H](C)[C@@H]1C[C@@H](C)CC[NH2+]1 ZINC000130373086 538591010 /nfs/dbraw/zinc/59/10/10/538591010.db2.gz GFTWALNKEDJKHP-YIZRAAEISA-N 1 0 213.277 0.753 10 0 BCAERO CC(C)[C@@H](C)C(=O)N1CCN(C2C[NH2+]C2)CC1 ZINC000090306831 538592571 /nfs/dbraw/zinc/59/25/71/538592571.db2.gz ODOKVUWJESMGFE-LLVKDONJSA-N 1 0 239.363 0.395 10 0 BCAERO Cc1noc(C)c1C[NH2+][C@@H](C(N)=O)C(C)C ZINC000223799574 538593949 /nfs/dbraw/zinc/59/39/49/538593949.db2.gz UNRYJWYXMGZMGH-SNVBAGLBSA-N 1 0 225.292 0.891 10 0 BCAERO CC(C)[C@@H]([NH2+]Cc1cnn(C)c1)C(N)=O ZINC000223967458 538595631 /nfs/dbraw/zinc/59/56/31/538595631.db2.gz FUSZXHZMJFKDQM-SECBINFHSA-N 1 0 210.281 0.020 10 0 BCAERO CC(C)[C@H]([NH2+]Cc1cncs1)C(N)=O ZINC000225276279 538599044 /nfs/dbraw/zinc/59/90/44/538599044.db2.gz PHOUJZVPIIJQPV-QMMMGPOBSA-N 1 0 213.306 0.743 10 0 BCAERO CC(C)S(=O)(=O)NC[C@H]1CC[C@@H]([NH3+])C1 ZINC000227631163 538699543 /nfs/dbraw/zinc/69/95/43/538699543.db2.gz CFMPHORQZYZBKH-DTWKUNHWSA-N 1 0 220.338 0.442 10 0 BCAERO CC(C)S(=O)(=O)NC[C@@H]1CC[C@H]([NH3+])C1 ZINC000227631166 538699553 /nfs/dbraw/zinc/69/95/53/538699553.db2.gz CFMPHORQZYZBKH-BDAKNGLRSA-N 1 0 220.338 0.442 10 0 BCAERO C[C@]1(CO)C[C@H](O)C[N@@H+]1C[C@H]1CCC[C@H](O)C1 ZINC000639849810 356850324 /nfs/dbraw/zinc/85/03/24/356850324.db2.gz QXEBGYLDTLRROX-ZDEQEGDKSA-N 1 0 243.347 0.355 10 0 BCAERO C[C@]1(CO)C[C@H](O)C[N@@H+]1C[C@@H]1CCC[C@@H](O)C1 ZINC000639849805 356850423 /nfs/dbraw/zinc/85/04/23/356850423.db2.gz QXEBGYLDTLRROX-FVCCEPFGSA-N 1 0 243.347 0.355 10 0 BCAERO C[C@H](C(=O)c1cccnc1N)C1C[NH2+]C1 ZINC000129847108 356986574 /nfs/dbraw/zinc/98/65/74/356986574.db2.gz BKCMDHLJZVAMPY-ZETCQYMHSA-N 1 0 205.261 0.702 10 0 BCAERO NC(=O)c1cc(F)ccc1OC[C@@H]1CC[NH2+]C1 ZINC000104232102 181289800 /nfs/dbraw/zinc/28/98/00/181289800.db2.gz SMJNHTQUXKWXNB-MRVPVSSYSA-N 1 0 238.262 0.913 10 0 BCAERO Brc1n[nH]c2c1C[NH2+]CC2 ZINC000257816585 538767983 /nfs/dbraw/zinc/76/79/83/538767983.db2.gz BYKNJEDJLDYQPM-UHFFFAOYSA-N 1 0 202.055 0.818 10 0 BCAERO C[C@@H]([NH3+])[C@H]1CCN(S(=O)(=O)C(F)F)C1 ZINC000160594126 357105777 /nfs/dbraw/zinc/10/57/77/357105777.db2.gz KXLMGUVGMJKCKY-RITPCOANSA-N 1 0 228.264 0.208 10 0 BCAERO COC[C@H](C)C[NH2+][C@H]1CCC(=O)N[C@H]1C ZINC000389942418 357070002 /nfs/dbraw/zinc/07/00/02/357070002.db2.gz PEHJRDSDYBPLJP-UTLUCORTSA-N 1 0 214.309 0.526 10 0 BCAERO CCC[NH2+][C@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000389987753 357078302 /nfs/dbraw/zinc/07/83/02/357078302.db2.gz MXYGOKFTFGSXEL-VHSXEESVSA-N 1 0 234.365 0.846 10 0 BCAERO NC(=O)c1cc(F)ccc1N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000104235224 181290218 /nfs/dbraw/zinc/29/02/18/181290218.db2.gz XXQJWRPCNQEWCU-QPUJVOFHSA-N 1 0 249.289 0.723 10 0 BCAERO NC(=O)[C@@H]([NH3+])Cc1cncc(Br)c1 ZINC000160605896 357123388 /nfs/dbraw/zinc/12/33/88/357123388.db2.gz QUNWJPZVRZVOCQ-ZETCQYMHSA-N 1 0 244.092 0.199 10 0 BCAERO CCN1C[C@H]([NH2+][C@@H]2CCCC[C@H]2O)CC1=O ZINC000391564574 357130184 /nfs/dbraw/zinc/13/01/84/357130184.db2.gz OOWPCLPTPFGTBS-GMTAPVOTSA-N 1 0 226.320 0.500 10 0 BCAERO Cc1nnc(OC[C@@H]2C[NH2+]CCO2)s1 ZINC000168803381 357240738 /nfs/dbraw/zinc/24/07/38/357240738.db2.gz PGKTXHTXRBSSNA-ZETCQYMHSA-N 1 0 215.278 0.214 10 0 BCAERO CC(C)[C@H](C)C(=O)NC[C@]1(O)CC[NH2+]C1 ZINC000157099081 538809649 /nfs/dbraw/zinc/80/96/49/538809649.db2.gz PLQQLTULWAJCTM-ONGXEEELSA-N 1 0 214.309 0.119 10 0 BCAERO CC(C)S(=O)(=O)NC[C@@]1(C)CCC[NH2+]1 ZINC000157170662 538810260 /nfs/dbraw/zinc/81/02/60/538810260.db2.gz FBWOKGDIHIQFOX-SECBINFHSA-N 1 0 220.338 0.456 10 0 BCAERO CCCS(=O)(=O)NC[C@@]1(C)CCC[NH2+]1 ZINC000157168182 538811330 /nfs/dbraw/zinc/81/13/30/538811330.db2.gz JUVOBVRIHCQSNB-SECBINFHSA-N 1 0 220.338 0.458 10 0 BCAERO C[NH2+][C@H](C)C(=O)NCC(C)(C)C[C@@H](C)O ZINC000393681369 357292627 /nfs/dbraw/zinc/29/26/27/357292627.db2.gz PQDZSNQJXJWVMA-RKDXNWHRSA-N 1 0 216.325 0.508 10 0 BCAERO C[C@H](NC(=O)C(C)(C)[NH3+])[C@H]1CCOC1 ZINC000160715293 357306052 /nfs/dbraw/zinc/30/60/52/357306052.db2.gz RYRSEDVBUZAHGI-YUMQZZPRSA-N 1 0 200.282 0.265 10 0 BCAERO O=C1CC[C@@H]2C[N@H+]([C@@H]3CCCC[C@@H]3O)CCN12 ZINC000168459121 134198007 /nfs/dbraw/zinc/19/80/07/134198007.db2.gz ZQHCYKFWTFKKNB-UTUOFQBUSA-N 1 0 238.331 0.597 10 0 BCAERO C[C@@H]([NH3+])[C@H](C)Nc1ccc2nccnc2n1 ZINC000394498929 357362698 /nfs/dbraw/zinc/36/26/98/357362698.db2.gz KURHRPYDXVPYRU-SFYZADRCSA-N 1 0 217.276 0.546 10 0 BCAERO NC(=O)c1cc(NCC[NH+]2CCCC2)ccc1N ZINC000054128831 181291315 /nfs/dbraw/zinc/29/13/15/181291315.db2.gz GQQHZPJNDSPNHN-UHFFFAOYSA-N 1 0 248.330 0.875 10 0 BCAERO O=C1NCC[C@H]1CC[N@H+]1CCC[C@@H]1CCCO ZINC000396076856 357470949 /nfs/dbraw/zinc/47/09/49/357470949.db2.gz JDKQYQKICGXSPN-NWDGAFQWSA-N 1 0 240.347 0.750 10 0 BCAERO C[NH2+][C@H](C)C(=O)NC[C@@]1(C)CCOC1 ZINC000397377240 357513677 /nfs/dbraw/zinc/51/36/77/357513677.db2.gz MRXMPXWWVHEBPD-PSASIEDQSA-N 1 0 200.282 0.137 10 0 BCAERO Cn1nccc1CC[N@@H+]1CC[C@H](CCO)C1 ZINC000230887200 357576846 /nfs/dbraw/zinc/57/68/46/357576846.db2.gz BOTSJHQWCXTJJL-LLVKDONJSA-N 1 0 223.320 0.667 10 0 BCAERO NC(=O)c1cc(NC2CC([NH3+])C2)ccn1 ZINC000036268776 181291507 /nfs/dbraw/zinc/29/15/07/181291507.db2.gz NOYPRXNZUZMOIC-UHFFFAOYSA-N 1 0 206.249 0.082 10 0 BCAERO C[C@@H]1C(=O)NCCC[N@H+]1CCc1ccncc1 ZINC000189321448 357631137 /nfs/dbraw/zinc/63/11/37/357631137.db2.gz TYBSHAJKSHWQFL-LLVKDONJSA-N 1 0 233.315 0.835 10 0 BCAERO C[C@@H]1C(=O)NCCCN1Cc1ccnn1C ZINC000189104423 357615702 /nfs/dbraw/zinc/61/57/02/357615702.db2.gz XOPLBMGSVDTBOH-SECBINFHSA-N 1 0 222.292 0.131 10 0 BCAERO CC(C)OC1CC([NH2+]C[C@@H]2CN(C)CCO2)C1 ZINC000189533706 357642924 /nfs/dbraw/zinc/64/29/24/357642924.db2.gz QMXBXVVJDXXFMP-WXRRBKDZSA-N 1 0 242.363 0.863 10 0 BCAERO COC(=O)CNC1CCC(C)(C[NH3+])CC1 ZINC000685945781 538886984 /nfs/dbraw/zinc/88/69/84/538886984.db2.gz AAZMLVARUVIQSG-UHFFFAOYSA-N 1 0 214.309 0.657 10 0 BCAERO CC[C@]1([NH3+])CCCN(C(=O)NCCOC)C1 ZINC000685946697 538887088 /nfs/dbraw/zinc/88/70/88/538887088.db2.gz DRJXPJPMXCWHHY-NSHDSACASA-N 1 0 229.324 0.546 10 0 BCAERO CC(C)(C)NC(=O)N1CC[C@H]([NH3+])[C@@H](F)C1 ZINC000685945808 538887190 /nfs/dbraw/zinc/88/71/90/538887190.db2.gz BFNHSBQSVZEEGF-YUMQZZPRSA-N 1 0 217.288 0.866 10 0 BCAERO CC(C)(C)NC(=O)N1CC[C@@H]([NH3+])[C@@H](F)C1 ZINC000685945806 538887220 /nfs/dbraw/zinc/88/72/20/538887220.db2.gz BFNHSBQSVZEEGF-JGVFFNPUSA-N 1 0 217.288 0.866 10 0 BCAERO CC(C)(C)NC(=O)N[C@@H]1CC[NH2+]C[C@H]1F ZINC000685946735 538887253 /nfs/dbraw/zinc/88/72/53/538887253.db2.gz VMJBFVLJKUMGOG-HTQZYQBOSA-N 1 0 217.288 0.784 10 0 BCAERO CC(C)S(=O)(=O)N[C@@H]1CC[NH2+]C[C@@H]1F ZINC000685945852 538887429 /nfs/dbraw/zinc/88/74/29/538887429.db2.gz CODYTHTWWNUPBI-JGVFFNPUSA-N 1 0 224.301 0.014 10 0 BCAERO CC(C)S(=O)(=O)NC[C@]12CC[C@@H]1CC[NH2+]2 ZINC000685945977 538887557 /nfs/dbraw/zinc/88/75/57/538887557.db2.gz AUBZXXLPYBAISC-NXEZZACHSA-N 1 0 232.349 0.456 10 0 BCAERO CCCS(=O)(=O)N1CC[C@@H]([NH3+])[C@H](F)C1 ZINC000685946894 538888275 /nfs/dbraw/zinc/88/82/75/538888275.db2.gz WGDAMSKOXNYESQ-HTQZYQBOSA-N 1 0 224.301 0.097 10 0 BCAERO C[NH+](C)CC(=O)NCC[C@H]1CCCC[C@@H]1O ZINC000685947249 538888684 /nfs/dbraw/zinc/88/86/84/538888684.db2.gz KZOJMKNMSGWXQV-MNOVXSKESA-N 1 0 228.336 0.605 10 0 BCAERO C[N@H+](CCO)[C@H]1CC(=O)N[C@@H](C(F)(F)F)C1 ZINC000685947184 538888982 /nfs/dbraw/zinc/88/89/82/538888982.db2.gz SPJSKXDVBFFEQG-RNFRBKRXSA-N 1 0 240.225 0.120 10 0 BCAERO CC(C)CC(=O)N[C@H]1CC[NH2+]C[C@H]1F ZINC000685946960 538889041 /nfs/dbraw/zinc/88/90/41/538889041.db2.gz XUZLLRZLXNJOSD-BDAKNGLRSA-N 1 0 202.273 0.849 10 0 BCAERO O=S(=O)(NC[C@]12CC[C@@H]1CC[NH2+]2)C1CC1 ZINC000685947423 538889361 /nfs/dbraw/zinc/88/93/61/538889361.db2.gz VLKQAETVHUTIMB-PSASIEDQSA-N 1 0 230.333 0.210 10 0 BCAERO CN(C)C(=O)c1cc2n(n1)CCC[C@@H]2[NH3+] ZINC000685947717 538889473 /nfs/dbraw/zinc/88/94/73/538889473.db2.gz QLYYDTZKZKZUBO-ZETCQYMHSA-N 1 0 208.265 0.379 10 0 BCAERO COCCC(=O)N1CCC[C@]1(C)C[NH3+] ZINC000685947679 538889584 /nfs/dbraw/zinc/88/95/84/538889584.db2.gz NRCPHPGXDAFMJG-SNVBAGLBSA-N 1 0 200.282 0.363 10 0 BCAERO CCS(=O)(=O)NC1CCC(C)([NH3+])CC1 ZINC000685948102 538890291 /nfs/dbraw/zinc/89/02/91/538890291.db2.gz XVVRDLJBBSXPOJ-UHFFFAOYSA-N 1 0 220.338 0.586 10 0 BCAERO O=C(c1ccoc1)N1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC000404060945 357657206 /nfs/dbraw/zinc/65/72/06/357657206.db2.gz MJKVVYPXYDOTFE-MNOVXSKESA-N 1 0 236.271 0.483 10 0 BCAERO COCCNC(=O)N1CC2(C1)CCC[NH2+]C2 ZINC000685948129 538890578 /nfs/dbraw/zinc/89/05/78/538890578.db2.gz YHAAACLSSJTFQC-UHFFFAOYSA-N 1 0 227.308 0.028 10 0 BCAERO [NH3+]CC1CC(NS(=O)(=O)C2CCCC2)C1 ZINC000685948536 538890867 /nfs/dbraw/zinc/89/08/67/538890867.db2.gz ATRPSMJQOGQCQM-UHFFFAOYSA-N 1 0 232.349 0.586 10 0 BCAERO CCS(=O)(=O)N1CC[C@@]2([NH3+])CCCC[C@H]12 ZINC000685948646 538891411 /nfs/dbraw/zinc/89/14/11/538891411.db2.gz DATDHIQRAJGWGO-UWVGGRQHSA-N 1 0 232.349 0.682 10 0 BCAERO CCC(=O)NC1CCC2(CC1)C[NH2+]CCO2 ZINC000685948935 538891525 /nfs/dbraw/zinc/89/15/25/538891525.db2.gz GSXJHKFQOXGMQF-UHFFFAOYSA-N 1 0 226.320 0.814 10 0 BCAERO CC(=O)N1CCOC2(CCC([NH3+])CC2)C1 ZINC000685948870 538891946 /nfs/dbraw/zinc/89/19/46/538891946.db2.gz DRXKTQOCDIVOEE-UHFFFAOYSA-N 1 0 212.293 0.505 10 0 BCAERO CS(=O)(=O)N[C@]12CC[NH2+][C@@H]1CCCC2 ZINC000685949021 538891965 /nfs/dbraw/zinc/89/19/65/538891965.db2.gz INEPUQHMTQVOIR-RKDXNWHRSA-N 1 0 218.322 0.210 10 0 BCAERO CCCNC(=O)N1CC2(C[NH2+]C2)C(F)(F)C1 ZINC000685948786 538892039 /nfs/dbraw/zinc/89/20/39/538892039.db2.gz FUUAWQKLZASZRF-UHFFFAOYSA-N 1 0 233.262 0.647 10 0 BCAERO CCNC(=O)N1CC2(C[NH2+]C2)C(F)(F)C1 ZINC000685949336 538892327 /nfs/dbraw/zinc/89/23/27/538892327.db2.gz PWJHPHBKIHZANQ-UHFFFAOYSA-N 1 0 219.235 0.256 10 0 BCAERO CCCS(=O)(=O)N[C@]12CC[NH2+][C@H]1CCCC2 ZINC000685949276 538892360 /nfs/dbraw/zinc/89/23/60/538892360.db2.gz NYUQDFNJUWRLPJ-WDEREUQCSA-N 1 0 246.376 0.991 10 0 BCAERO Cc1nnc2n1C[C@@H](C[NH2+]C(C)C)NC2 ZINC000685949221 538892563 /nfs/dbraw/zinc/89/25/63/538892563.db2.gz NMCDVHYWLINZGZ-SECBINFHSA-N 1 0 209.297 0.056 10 0 BCAERO O=C(C1CCC1)N1CC2(C1)C[NH2+]CC2(F)F ZINC000685949775 538892930 /nfs/dbraw/zinc/89/29/30/538892930.db2.gz XKBRDFRRIJXAKY-UHFFFAOYSA-N 1 0 230.258 0.854 10 0 BCAERO [NH3+][C@]12CCN(S(=O)(=O)C3CC3)[C@H]1CCCC2 ZINC000685949763 538892976 /nfs/dbraw/zinc/89/29/76/538892976.db2.gz XBZJBGDETQPGQS-WDEREUQCSA-N 1 0 244.360 0.824 10 0 BCAERO NC(=O)c1cc(OC[C@@H]2CC[NH2+]C2)ccn1 ZINC000051889105 181292478 /nfs/dbraw/zinc/29/24/78/181292478.db2.gz XZYGERLPTZWSLR-MRVPVSSYSA-N 1 0 221.260 0.169 10 0 BCAERO NC(=O)c1cc(OC[C@H]2CCC[NH2+]C2)ccn1 ZINC000051883026 181292496 /nfs/dbraw/zinc/29/24/96/181292496.db2.gz GLTKUOZCEVJMRZ-VIFPVBQESA-N 1 0 235.287 0.559 10 0 BCAERO COc1cccnc1N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000160294166 357741552 /nfs/dbraw/zinc/74/15/52/357741552.db2.gz FQTLLCCBRUYJRF-AOOOYVTPSA-N 1 0 219.288 0.746 10 0 BCAERO Cc1cccnc1C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000235325479 357865642 /nfs/dbraw/zinc/86/56/42/357865642.db2.gz CWDPHIXRSHZBEC-NXEZZACHSA-N 1 0 219.288 0.809 10 0 BCAERO C[C@@H]1CN(C(=O)Cc2cccnc2)C[C@@H]1[NH3+] ZINC000235338839 357866177 /nfs/dbraw/zinc/86/61/77/357866177.db2.gz IISANYJUYADFBN-KOLCDFICSA-N 1 0 219.288 0.430 10 0 BCAERO C[C@@H]1CN(C(=O)c2cnn3ccccc23)C[C@H]1[NH3+] ZINC000235371790 357867848 /nfs/dbraw/zinc/86/78/48/357867848.db2.gz JJYPLUZCDCDWCW-MWLCHTKSSA-N 1 0 244.298 0.754 10 0 BCAERO Cc1cccc(C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)n1 ZINC000235364760 357868154 /nfs/dbraw/zinc/86/81/54/357868154.db2.gz HPZXPPVGRMMGST-PSASIEDQSA-N 1 0 219.288 0.809 10 0 BCAERO C(C1CCC1)[N@@H+]1CC[C@@H]2OCCN[C@@H]2C1 ZINC000404073873 357868804 /nfs/dbraw/zinc/86/88/04/357868804.db2.gz MUJMWJBJSSTIQS-NEPJUHHUSA-N 1 0 210.321 0.849 10 0 BCAERO C[C@@H](CNC(=O)[C@@H]1C[NH2+]C[C@H]1C)C[C@H](C)O ZINC000398621185 357887725 /nfs/dbraw/zinc/88/77/25/357887725.db2.gz GQQCAFOUBFSROL-CHWFTXMASA-N 1 0 228.336 0.365 10 0 BCAERO CNC(=O)CCC[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000398650112 357889102 /nfs/dbraw/zinc/88/91/02/357889102.db2.gz AWPFHBZOIMYTEL-SDDRHHMPSA-N 1 0 240.347 0.605 10 0 BCAERO CCn1ncnc1CN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000193430045 357925433 /nfs/dbraw/zinc/92/54/33/357925433.db2.gz VQHFYCQALMCSJX-GFCCVEGCSA-N 1 0 249.362 0.968 10 0 BCAERO C[C@H]1CN(C(=O)c2ccccc2O)C[C@H]1[NH3+] ZINC000235667501 357927275 /nfs/dbraw/zinc/92/72/75/357927275.db2.gz YDOOKTJZECVXDB-WCBMZHEXSA-N 1 0 220.272 0.811 10 0 BCAERO C[C@H]1CN(C(=O)CCn2ccnc2)C[C@H]1[NH3+] ZINC000235657354 357927335 /nfs/dbraw/zinc/92/73/35/357927335.db2.gz VZUUIDZGCKWCSA-VHSXEESVSA-N 1 0 222.292 0.079 10 0 BCAERO CN(Cc1cnccn1)C(=O)[C@@]1(C)CCC[NH2+]1 ZINC000584413548 357915983 /nfs/dbraw/zinc/91/59/83/357915983.db2.gz YTHLNKAMJASDQO-GFCCVEGCSA-N 1 0 234.303 0.577 10 0 BCAERO C[C@@H]1C[C@H](O)CC[N@@H+]1CCn1cccn1 ZINC000639938540 357944215 /nfs/dbraw/zinc/94/42/15/357944215.db2.gz CCMJGXUOOLUGMC-GHMZBOCLSA-N 1 0 209.293 0.728 10 0 BCAERO C[C@@H]1C[C@H](O)CC[N@@H+]1CCC(C)(C)O ZINC000639938991 357945696 /nfs/dbraw/zinc/94/56/96/357945696.db2.gz TZXHGXKWZVIMND-NXEZZACHSA-N 1 0 201.310 0.993 10 0 BCAERO C[C@@H](C[N@@H+]1CC[C@@H](O)C[C@H]1C)CS(C)(=O)=O ZINC000639939716 357948444 /nfs/dbraw/zinc/94/84/44/357948444.db2.gz PWNYZBYQFQXDOT-HBNTYKKESA-N 1 0 249.376 0.512 10 0 BCAERO C[C@@H]1C[C@H](O)CC[N@@H+]1CC(=O)N1CCCC1 ZINC000639939593 357951445 /nfs/dbraw/zinc/95/14/45/357951445.db2.gz HUXSUJZHGYAYNP-GHMZBOCLSA-N 1 0 226.320 0.454 10 0 BCAERO CCOC[C@@H]1CCN(C(=O)[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000583810610 357955635 /nfs/dbraw/zinc/95/56/35/357955635.db2.gz YCSNVCBINZNWDN-IJLUTSLNSA-N 1 0 240.347 0.727 10 0 BCAERO C[C@]1(C(=O)NC2C[NH2+]C2)CC1(Cl)Cl ZINC000237750141 358009500 /nfs/dbraw/zinc/00/95/00/358009500.db2.gz RHKQOLQOPRMODR-SSDOTTSWSA-N 1 0 223.103 0.658 10 0 BCAERO CC[C@@H](C)NC(=O)CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171643287 134257411 /nfs/dbraw/zinc/25/74/11/134257411.db2.gz TZDOUJYUCKYSNT-VXGBXAGGSA-N 1 0 239.363 0.681 10 0 BCAERO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1CC(C)(C)O ZINC000171438494 134258082 /nfs/dbraw/zinc/25/80/82/134258082.db2.gz YJEHSHFHIVEPDI-LLVKDONJSA-N 1 0 244.379 0.534 10 0 BCAERO CN(C)c1ccc(C(=O)NC2C[NH2+]C2)cc1 ZINC000085255818 134262367 /nfs/dbraw/zinc/26/23/67/134262367.db2.gz ILBDUFHREGMTBE-UHFFFAOYSA-N 1 0 219.288 0.454 10 0 BCAERO C#C[C@H](c1cccnc1C)N1CC[NH2+]CC1 ZINC000038867387 358210365 /nfs/dbraw/zinc/21/03/65/358210365.db2.gz YPGWZNFRSPKWFA-CYBMUJFWSA-N 1 0 215.300 0.970 10 0 BCAERO O=C(NC1C[NH2+]C1)c1ccc(F)cc1F ZINC000085255805 134262155 /nfs/dbraw/zinc/26/21/55/134262155.db2.gz CRVNQNZOBSYNQW-UHFFFAOYSA-N 1 0 212.199 0.666 10 0 BCAERO CN(C)c1ccc(C(=O)N(C)CC[NH3+])cc1 ZINC000041055170 358242095 /nfs/dbraw/zinc/24/20/95/358242095.db2.gz BAMXWEVNOYKQJQ-UHFFFAOYSA-N 1 0 221.304 0.783 10 0 BCAERO COC(C[NH2+]C[C@H](O)Cc1ccccc1)OC ZINC000584595137 358252663 /nfs/dbraw/zinc/25/26/63/358252663.db2.gz VKULNSZHZRKERO-GFCCVEGCSA-N 1 0 239.315 0.799 10 0 BCAERO CCOC(=O)[C@@H](CNc1cc[nH+]cc1)C(C)=O ZINC000584603189 358261352 /nfs/dbraw/zinc/26/13/52/358261352.db2.gz ODHLWPPZHPNKDR-NSHDSACASA-N 1 0 236.271 0.684 10 0 BCAERO Brc1cnc([C@H]2C[NH2+]CCO2)nc1 ZINC000584607128 358267348 /nfs/dbraw/zinc/26/73/48/358267348.db2.gz JAPNDVYMPFGQGO-SSDOTTSWSA-N 1 0 244.092 0.900 10 0 BCAERO C[C@H](c1ncc(C(N)=O)c2[nH]ccc21)C1C[NH2+]C1 ZINC000584620186 358286854 /nfs/dbraw/zinc/28/68/54/358286854.db2.gz SCEMBLZNBIQSOD-ZETCQYMHSA-N 1 0 244.298 0.985 10 0 BCAERO N[C@H]1Oc2ccccc2C[C@H]1C(=[NH2+])NO ZINC000584625036 358293403 /nfs/dbraw/zinc/29/34/03/358293403.db2.gz WNYNCAXNFBMCTJ-XVKPBYJWSA-N 1 0 207.233 0.479 10 0 BCAERO COC(=O)c1ncccc1CN1CC[NH+](C)CC1 ZINC000584629463 358298378 /nfs/dbraw/zinc/29/83/78/358298378.db2.gz JTWDARNLYOSDPT-UHFFFAOYSA-N 1 0 249.314 0.616 10 0 BCAERO [NH3+]C[C@H]1CN(c2ncnc3ccccc32)CCO1 ZINC000041162038 358301714 /nfs/dbraw/zinc/30/17/14/358301714.db2.gz QMCPCRJVWKJARG-JTQLQIEISA-N 1 0 244.298 0.794 10 0 BCAERO C[C@@H]1COC[C@@H](C)[NH+]1CCCC(=O)NC(N)=O ZINC000172668758 134267428 /nfs/dbraw/zinc/26/74/28/134267428.db2.gz AZVLKICALRXWOW-RKDXNWHRSA-N 1 0 243.307 0.071 10 0 BCAERO C[C@H]1COC[C@H](C)[NH+]1CCCC(=O)NC(N)=O ZINC000172668728 134267472 /nfs/dbraw/zinc/26/74/72/134267472.db2.gz AZVLKICALRXWOW-IUCAKERBSA-N 1 0 243.307 0.071 10 0 BCAERO CC(C)[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1O ZINC000226237965 358336175 /nfs/dbraw/zinc/33/61/75/358336175.db2.gz QRMZXTGJQAPREJ-GMTAPVOTSA-N 1 0 201.310 0.896 10 0 BCAERO Cc1csc(NC(=O)CN(C)C2C[NH2+]C2)n1 ZINC000085258233 134273640 /nfs/dbraw/zinc/27/36/40/134273640.db2.gz NCCAHZJPBWKKNP-UHFFFAOYSA-N 1 0 240.332 0.294 10 0 BCAERO CCCS(=O)(=O)N(C)[C@@H]1CCC[NH2+]CC1 ZINC000226463590 358340194 /nfs/dbraw/zinc/34/01/94/358340194.db2.gz RXFHOOPMGPHDJX-SNVBAGLBSA-N 1 0 234.365 0.800 10 0 BCAERO CN([C@H]1CCC[NH2+]CC1)S(=O)(=O)C1CC1 ZINC000226463405 358340244 /nfs/dbraw/zinc/34/02/44/358340244.db2.gz BJRXDDKXMJRFGS-VIFPVBQESA-N 1 0 232.349 0.553 10 0 BCAERO CC[C@](C)(O)C[NH2+][C@@H]1C[C@@H](O)C1(C)C ZINC000226602856 358342052 /nfs/dbraw/zinc/34/20/52/358342052.db2.gz TXBVFZJBNPLHIS-KKZNHRDASA-N 1 0 201.310 0.896 10 0 BCAERO Cc1cnn(CCNC(=O)[C@@H]2C[NH2+]C[C@H]2C)c1 ZINC000226675529 358342422 /nfs/dbraw/zinc/34/24/22/358342422.db2.gz QWDONNDPRBXFKE-GHMZBOCLSA-N 1 0 236.319 0.163 10 0 BCAERO CN1CCN(c2ccc(F)cn2)[C@@H](C[NH3+])C1 ZINC000226623143 358342865 /nfs/dbraw/zinc/34/28/65/358342865.db2.gz JIIVSNMPSLWCTE-JTQLQIEISA-N 1 0 224.283 0.300 10 0 BCAERO CO[C@H]1C[NH2+][C@@H](C(=O)NC(C2CC2)C2CC2)C1 ZINC000042372525 358347496 /nfs/dbraw/zinc/34/74/96/358347496.db2.gz DSVFQVOTYIQSKK-GHMZBOCLSA-N 1 0 238.331 0.668 10 0 BCAERO C[C@H](C[C@H](C)[NH3+])Nc1ncnc2c1cnn2C ZINC000228267676 358372302 /nfs/dbraw/zinc/37/23/02/358372302.db2.gz CMSOSPXOCDXAHP-JGVFFNPUSA-N 1 0 234.307 0.901 10 0 BCAERO CS[C@H](CO)[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1O ZINC000228380890 358374620 /nfs/dbraw/zinc/37/46/20/358374620.db2.gz QFCLOQQYLGCCKH-GWOFURMSSA-N 1 0 233.377 0.992 10 0 BCAERO C[C@]1(C(=O)NCc2cccc(CO)c2)CCC[NH2+]1 ZINC000227426482 358356538 /nfs/dbraw/zinc/35/65/38/358356538.db2.gz XMGWTEMSDCGHGR-CQSZACIVSA-N 1 0 248.326 0.937 10 0 BCAERO CC(C)[C@@H](CCO)NC(=O)[C@@]1(C)CCC[NH2+]1 ZINC000227427172 358356620 /nfs/dbraw/zinc/35/66/20/358356620.db2.gz UHFMCMKKECGWRD-ZYHUDNBSSA-N 1 0 228.336 0.652 10 0 BCAERO Cn1nnnc1N1CCc2ccccc2[C@H]1C[NH3+] ZINC000227725462 358362429 /nfs/dbraw/zinc/36/24/29/358362429.db2.gz HYFCORDUBKHPRP-LLVKDONJSA-N 1 0 244.302 0.273 10 0 BCAERO CCc1nnc(C)cc1C(=O)N1CCC[C@H]1C[NH3+] ZINC000229205421 358363575 /nfs/dbraw/zinc/36/35/75/358363575.db2.gz ZWDGPIUIFXKWFE-JTQLQIEISA-N 1 0 248.330 0.911 10 0 BCAERO CCCN1CCO[C@H](c2nnc(C)[nH]2)C1 ZINC000173673429 134275657 /nfs/dbraw/zinc/27/56/57/134275657.db2.gz HKCYCZQFIIZIOQ-VIFPVBQESA-N 1 0 210.281 0.896 10 0 BCAERO CCCN1CCO[C@@H](c2nnc(C)[nH]2)C1 ZINC000173673446 134275838 /nfs/dbraw/zinc/27/58/38/134275838.db2.gz HKCYCZQFIIZIOQ-SECBINFHSA-N 1 0 210.281 0.896 10 0 BCAERO C[NH+](C)[C@@H]1CCN(C(=O)Cc2ccc(N)cn2)C1 ZINC000229621902 358405517 /nfs/dbraw/zinc/40/55/17/358405517.db2.gz FBTAUUYMGSKLQY-GFCCVEGCSA-N 1 0 248.330 0.369 10 0 BCAERO C[C@@H](NC(=O)C[C@@H]1CCC[NH2+]C1)c1cn[nH]c1 ZINC000229701997 358406917 /nfs/dbraw/zinc/40/69/17/358406917.db2.gz KHPAXLXHELOXEE-ZJUUUORDSA-N 1 0 236.319 0.977 10 0 BCAERO COc1ccnc(NCC2CC[NH2+]CC2)n1 ZINC000044509223 358388525 /nfs/dbraw/zinc/38/85/25/358388525.db2.gz POENCXKXXILFIE-UHFFFAOYSA-N 1 0 222.292 0.897 10 0 BCAERO C[C@H](NC(=O)C[C@@H]1CCC[NH2+]C1)c1nc[nH]n1 ZINC000230428686 358399446 /nfs/dbraw/zinc/39/94/46/358399446.db2.gz OCZRUEXWOSBBED-IUCAKERBSA-N 1 0 237.307 0.372 10 0 BCAERO C[C@@]1(NC(=O)C[C@H]2CCC[NH2+]C2)CCOC1 ZINC000229459406 358403507 /nfs/dbraw/zinc/40/35/07/358403507.db2.gz QUPUDAAMYLOPEE-ZYHUDNBSSA-N 1 0 226.320 0.671 10 0 BCAERO COC(=O)[C@@H]([NH3+])[C@@H]1CCOC(C)(C)C1 ZINC000147948824 358429724 /nfs/dbraw/zinc/42/97/24/358429724.db2.gz MKHBEKVALPWSSY-SFYZADRCSA-N 1 0 201.266 0.692 10 0 BCAERO CN1CCC[N@H+](C[C@@H]2CCCC2=O)CC1 ZINC000053925932 358581171 /nfs/dbraw/zinc/58/11/71/358581171.db2.gz JLMTYDVOZALRPR-NSHDSACASA-N 1 0 210.321 0.993 10 0 BCAERO CC[N@@H+]1CCC[C@@H]1CN(C)C[C@@H](O)COC ZINC000127308625 358561595 /nfs/dbraw/zinc/56/15/95/358561595.db2.gz BSBIGSBKXXHUDQ-VXGBXAGGSA-N 1 0 230.352 0.410 10 0 BCAERO Cc1cc(=O)[nH]c(NC2CC[NH2+]CC2)n1 ZINC000045895511 358566376 /nfs/dbraw/zinc/56/63/76/358566376.db2.gz UYXGLUWPHSLXHY-UHFFFAOYSA-N 1 0 208.265 0.242 10 0 BCAERO C[NH+](C)C[C@H]1CN(CCCF)CCO1 ZINC000130365734 358621095 /nfs/dbraw/zinc/62/10/95/358621095.db2.gz DDTQONQOTKYDCP-JTQLQIEISA-N 1 0 204.289 0.608 10 0 BCAERO C[C@@H](C(=O)N1CCO[C@@H](C[NH+](C)C)C1)C1CC1 ZINC000175341596 134285515 /nfs/dbraw/zinc/28/55/15/134285515.db2.gz GJEGBLXEYIOAPK-PWSUYJOCSA-N 1 0 240.347 0.822 10 0 BCAERO CCC[NH+]1CCC(N[C@H]2CCCNC2=O)CC1 ZINC000050393987 358726658 /nfs/dbraw/zinc/72/66/58/358726658.db2.gz VUPSNRKKCSPYBK-LBPRGKRZSA-N 1 0 239.363 0.729 10 0 BCAERO COc1cc(OC)nc(N[C@@H](C)CC[NH3+])n1 ZINC000134268408 358784538 /nfs/dbraw/zinc/78/45/38/358784538.db2.gz AUENOMWYAIRMLB-ZETCQYMHSA-N 1 0 226.280 0.643 10 0 BCAERO C[C@@H](CC[NH3+])Nc1nnnn1-c1ccccc1 ZINC000134270746 358784540 /nfs/dbraw/zinc/78/45/40/358784540.db2.gz MQWKAEKDAPMJIT-VIFPVBQESA-N 1 0 232.291 0.812 10 0 BCAERO CN(C)C(=O)CC[N@@H+]1CCC[C@@H]1CCCO ZINC000052762505 358792206 /nfs/dbraw/zinc/79/22/06/358792206.db2.gz WWWIQEIRCWCHKG-LLVKDONJSA-N 1 0 228.336 0.702 10 0 BCAERO O=C(C[N@H+]1CCC[C@H]1CCCO)NCC1CC1 ZINC000052762330 358792321 /nfs/dbraw/zinc/79/23/21/358792321.db2.gz AXAYIFYEWMFJLZ-LBPRGKRZSA-N 1 0 240.347 0.750 10 0 BCAERO CCNC(=O)CN1C[C@H]2CCC[N@@H+]2C[C@@H]1CC ZINC000136077119 358862172 /nfs/dbraw/zinc/86/21/72/358862172.db2.gz CVKXFNZQACDRRM-NWDGAFQWSA-N 1 0 239.363 0.681 10 0 BCAERO CC[C@](C)([C@@H](C)[NH3+])[N@@H+]1CC[C@](C)(O)C1 ZINC000306151710 358918277 /nfs/dbraw/zinc/91/82/77/358918277.db2.gz HFFIDVKMOVUOAE-OUAUKWLOSA-N 1 0 200.326 0.959 10 0 BCAERO [NH3+]CCS(=O)(=O)c1nc2ccccc2o1 ZINC000053994080 358961509 /nfs/dbraw/zinc/96/15/09/358961509.db2.gz SZXGKHBSAMPISV-UHFFFAOYSA-N 1 0 226.257 0.560 10 0 BCAERO C[NH2+][C@]1(C(N)=O)COc2ccccc2C1 ZINC000306154455 358940431 /nfs/dbraw/zinc/94/04/31/358940431.db2.gz BGQAZXHXGPACBB-NSHDSACASA-N 1 0 206.245 0.065 10 0 BCAERO CCS(=O)(=O)C[C@H](C)[NH2+][C@@H]1CCC[C@@H](O)C1 ZINC000223742740 491138906 /nfs/dbraw/zinc/13/89/06/491138906.db2.gz FEKYRPDSFXKBMZ-HBNTYKKESA-N 1 0 249.376 0.703 10 0 BCAERO CC(C)S(=O)(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000228155612 359008367 /nfs/dbraw/zinc/00/83/67/359008367.db2.gz ACZWZGSOLNPJFC-IUCAKERBSA-N 1 0 220.338 0.394 10 0 BCAERO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000247006665 359183020 /nfs/dbraw/zinc/18/30/20/359183020.db2.gz MFBIUARGAGEXKI-DTWKUNHWSA-N 1 0 222.292 0.083 10 0 BCAERO C[C@H](C(N)=O)[N@@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000247006695 359183074 /nfs/dbraw/zinc/18/30/74/359183074.db2.gz MFBIUARGAGEXKI-RKDXNWHRSA-N 1 0 222.292 0.083 10 0 BCAERO CC(=O)CC[N@H+]1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000246613769 359150931 /nfs/dbraw/zinc/15/09/31/359150931.db2.gz YGRLQWKKMLHCMX-DGCLKSJQSA-N 1 0 240.347 0.618 10 0 BCAERO Nc1ccnc(CN2CC[N@@H+]3CCC[C@H]3C2)n1 ZINC000246818406 359168057 /nfs/dbraw/zinc/16/80/57/359168057.db2.gz NPAMDAPOYDMHDE-JTQLQIEISA-N 1 0 233.319 0.339 10 0 BCAERO COCCC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000246859154 359171083 /nfs/dbraw/zinc/17/10/83/359171083.db2.gz FOCGDCFVNOCYPA-WDEREUQCSA-N 1 0 228.336 0.868 10 0 BCAERO CC[C@H](O)C[N@@H+]1CCN(CCOC)[C@H](CC)C1 ZINC000247583462 359236310 /nfs/dbraw/zinc/23/63/10/359236310.db2.gz ISERSLIZGHARBP-OLZOCXBDSA-N 1 0 244.379 0.800 10 0 BCAERO c1c[nH]c(CN2CC[N@@H+]3CCC[C@H]3C2)n1 ZINC000247734412 359243481 /nfs/dbraw/zinc/24/34/81/359243481.db2.gz VHPZZQWKLZDXSR-JTQLQIEISA-N 1 0 206.293 0.690 10 0 BCAERO CCOCCN1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000247232756 359203365 /nfs/dbraw/zinc/20/33/65/359203365.db2.gz RKCVAFHYMNZNAG-NWDGAFQWSA-N 1 0 230.352 0.410 10 0 BCAERO CCOCCN1CC[N@H+](C[C@H](C)O)[C@H](CC)C1 ZINC000247385057 359218059 /nfs/dbraw/zinc/21/80/59/359218059.db2.gz WIPFXMHFWCOTQC-QWHCGFSZSA-N 1 0 244.379 0.800 10 0 BCAERO CCCNC(=O)[C@@H](C)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000247441578 359221017 /nfs/dbraw/zinc/22/10/17/359221017.db2.gz ZZHLYOSPRKNORH-NEPJUHHUSA-N 1 0 239.363 0.681 10 0 BCAERO COC[C@H](C)[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000247462733 359222373 /nfs/dbraw/zinc/22/23/73/359222373.db2.gz IMSRKQCPHJIGAU-NWDGAFQWSA-N 1 0 228.336 0.428 10 0 BCAERO CCNC(=O)CN1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000247469998 359223609 /nfs/dbraw/zinc/22/36/09/359223609.db2.gz RPEXWWUGNTZYOT-GHMZBOCLSA-N 1 0 225.336 0.291 10 0 BCAERO CO[C@H](C)C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000247475322 359223783 /nfs/dbraw/zinc/22/37/83/359223783.db2.gz SBOGDELYASHIHU-MXWKQRLJSA-N 1 0 226.320 0.716 10 0 BCAERO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)C(F)F ZINC000306201142 359290599 /nfs/dbraw/zinc/29/05/99/359290599.db2.gz KKHYISODABXDAD-FSDSQADBSA-N 1 0 206.236 0.754 10 0 BCAERO C[C@H](C(=O)N[C@@H]1CC[NH2+]C1)C(C)(F)F ZINC000306207140 359299008 /nfs/dbraw/zinc/29/90/08/359299008.db2.gz QPFKTNJNXOJFCF-RNFRBKRXSA-N 1 0 206.236 0.756 10 0 BCAERO O=C1OCC[C@@H]1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000248341862 359266059 /nfs/dbraw/zinc/26/60/59/359266059.db2.gz JGFRXVGYAWSZFT-QWRGUYRKSA-N 1 0 224.304 0.472 10 0 BCAERO CCN1CCC[N@@H+]([C@H](C)[C@@H](C)O)CC1 ZINC000306224941 359354597 /nfs/dbraw/zinc/35/45/97/359354597.db2.gz BKXOBKMMPASNEM-GHMZBOCLSA-N 1 0 200.326 0.783 10 0 BCAERO CCN1CCC[N@@H+]([C@@H](C)[C@H](C)O)CC1 ZINC000306224948 359354683 /nfs/dbraw/zinc/35/46/83/359354683.db2.gz BKXOBKMMPASNEM-QWRGUYRKSA-N 1 0 200.326 0.783 10 0 BCAERO CC[C@@](C)([C@H](C)O)[NH+]1CCC(O)CC1 ZINC000306221633 359343303 /nfs/dbraw/zinc/34/33/03/359343303.db2.gz QBFOGDDXIGUTCW-ONGXEEELSA-N 1 0 201.310 0.993 10 0 BCAERO COC[C@H](C)N1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC000404239827 359351594 /nfs/dbraw/zinc/35/15/94/359351594.db2.gz WOGNJKALLIOSAE-AXFHLTTASA-N 1 0 214.309 0.084 10 0 BCAERO C[NH2+][C@H](C)C(=O)N[C@H]1CCCC[C@@H]1O ZINC000054076978 359400621 /nfs/dbraw/zinc/40/06/21/359400621.db2.gz ZMFKDVDTYBIDKY-VGMNWLOBSA-N 1 0 200.282 0.014 10 0 BCAERO C[C@@H]1C[NH2+]CC[C@@]1(O)Cc1csnn1 ZINC000306250770 359455332 /nfs/dbraw/zinc/45/53/32/359455332.db2.gz ZHKCFPLKZIWXHP-VXNVDRBHSA-N 1 0 213.306 0.441 10 0 BCAERO C[C@H]1C[NH2+]CC[C@]1(O)Cc1csnn1 ZINC000306250768 359455624 /nfs/dbraw/zinc/45/56/24/359455624.db2.gz ZHKCFPLKZIWXHP-CBAPKCEASA-N 1 0 213.306 0.441 10 0 BCAERO [NH3+]C1CN(Cc2cccc(Br)n2)C1 ZINC000306251068 359456290 /nfs/dbraw/zinc/45/62/90/359456290.db2.gz ZKIHOCCEKDBILY-UHFFFAOYSA-N 1 0 242.120 0.987 10 0 BCAERO CC(C)[C@H]([NH3+])CN1CCC[S@](=O)CC1 ZINC000306262784 359483095 /nfs/dbraw/zinc/48/30/95/359483095.db2.gz ZMAIORMFAIFVKQ-YGRLFVJLSA-N 1 0 218.366 0.424 10 0 BCAERO CC(C)n1cc(C[NH2+][C@@H]2CCOC[C@@H]2O)cn1 ZINC000623764443 359485475 /nfs/dbraw/zinc/48/54/75/359485475.db2.gz FBDGWBJZHVJPND-NEPJUHHUSA-N 1 0 239.319 0.703 10 0 BCAERO C[C@H]1C[NH2+]CC[C@H]1NC(=O)[C@@H]1CCCO1 ZINC000086889002 359583813 /nfs/dbraw/zinc/58/38/13/359583813.db2.gz YIBSHWHRYSJJAS-AEJSXWLSSA-N 1 0 212.293 0.280 10 0 BCAERO C[C@H]1CN(C(=O)[C@@H]2CCCO2)CC[C@H]1[NH3+] ZINC000086885615 359584886 /nfs/dbraw/zinc/58/48/86/359584886.db2.gz DXLVZTBHGHIDMJ-AEJSXWLSSA-N 1 0 212.293 0.361 10 0 BCAERO CCC[C@H](C)C(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000424053708 192857599 /nfs/dbraw/zinc/85/75/99/192857599.db2.gz FMYOQTWTWBBQDD-GARJFASQSA-N 1 0 226.320 0.622 10 0 BCAERO C[C@@H](CCO)Nc1[nH+]ncc(N)c1Cl ZINC000306326027 359609623 /nfs/dbraw/zinc/60/96/23/359609623.db2.gz WTQQGOQQSROAQB-YFKPBYRVSA-N 1 0 216.672 0.895 10 0 BCAERO C[Si](C)(C)C[C@@]1([NH3+])CCS(=O)(=O)C1 ZINC000306330215 359611311 /nfs/dbraw/zinc/61/13/11/359611311.db2.gz DPIVORABTIYCBV-MRVPVSSYSA-N 1 0 221.398 0.841 10 0 BCAERO Cc1ccc(O)c(C[NH2+][C@H]2CCOC[C@@H]2O)n1 ZINC000623765143 359640961 /nfs/dbraw/zinc/64/09/61/359640961.db2.gz OHZSCPVRZTYDRO-CABZTGNLSA-N 1 0 238.287 0.335 10 0 BCAERO O[C@@H]1COCC[C@@H]1[NH2+]Cc1ccsc1 ZINC000623764754 359629797 /nfs/dbraw/zinc/62/97/97/359629797.db2.gz JMQVOERPMPFRMX-VHSXEESVSA-N 1 0 213.302 0.988 10 0 BCAERO CC(C)[C@H](C(=O)N[C@@H](C)C(=O)N(C)C)[C@H](C)[NH3+] ZINC000399572157 359649092 /nfs/dbraw/zinc/64/90/92/359649092.db2.gz KMWMPJRAOFGAOA-GUBZILKMSA-N 1 0 243.351 0.199 10 0 BCAERO C[NH2+]C1(C(N)=O)C[C@H]2CC[C@@H](C1)S2 ZINC000403635114 359658702 /nfs/dbraw/zinc/65/87/02/359658702.db2.gz MVQVUDLHAODHTC-AVSFMBPQSA-N 1 0 200.307 0.488 10 0 BCAERO CC(C)([NH3+])CN1CCC[C@](C)(CO)C1 ZINC000306353437 359681431 /nfs/dbraw/zinc/68/14/31/359681431.db2.gz IHMUEYDDWSGMEI-NSHDSACASA-N 1 0 200.326 0.818 10 0 BCAERO CC(C)(C)OC(=O)NCCN1CCC[C@@H]([NH3+])C1 ZINC000306375195 359708844 /nfs/dbraw/zinc/70/88/44/359708844.db2.gz LRVUAMVRVRZUPG-SNVBAGLBSA-N 1 0 243.351 0.934 10 0 BCAERO CCN(CCC[NH3+])C(=O)c1cccnc1OC ZINC000061442300 169828127 /nfs/dbraw/zinc/82/81/27/169828127.db2.gz YHWYLCYJXRWMCW-UHFFFAOYSA-N 1 0 237.303 0.901 10 0 BCAERO CC1CC([NH2+]C2CCN(CCO)CC2)C1 ZINC000309112691 491144859 /nfs/dbraw/zinc/14/48/59/491144859.db2.gz KFXJWAWUCDOFCD-UHFFFAOYSA-N 1 0 212.337 0.831 10 0 BCAERO CC(C(=O)N[C@@H]1CCSC1)=C1C[NH2+]C1 ZINC000231352305 359902076 /nfs/dbraw/zinc/90/20/76/359902076.db2.gz HPQOAQSBIUCTCK-SECBINFHSA-N 1 0 212.318 0.528 10 0 BCAERO Cc1ccc(C[NH2+][C@@H]2CCCNC2=O)nc1 ZINC000087782369 359927934 /nfs/dbraw/zinc/92/79/34/359927934.db2.gz RHVFOZXYGNJVDT-LLVKDONJSA-N 1 0 219.288 0.758 10 0 BCAERO O=C(Cc1ccccc1O)N[C@@H]1CC[NH2+]C1 ZINC000087797732 359929752 /nfs/dbraw/zinc/92/97/52/359929752.db2.gz JVAOGNPZMGXNPK-SNVBAGLBSA-N 1 0 220.272 0.413 10 0 BCAERO C[C@H](O)C1CCN(C(=O)[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000578894990 366670204 /nfs/dbraw/zinc/67/02/04/366670204.db2.gz YMCJLPPSJYZLDZ-INTQDDNPSA-N 1 0 226.320 0.343 10 0 BCAERO Cn1ncnc1C(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000306469206 360084274 /nfs/dbraw/zinc/08/42/74/360084274.db2.gz PBDWBRLRUHPUTD-JGVFFNPUSA-N 1 0 208.265 0.373 10 0 BCAERO C[C@H]([C@H]([NH3+])C1=COCC1)S(C)(=O)=O ZINC000306474138 360111515 /nfs/dbraw/zinc/11/15/15/360111515.db2.gz FPEDOAHMVYJTAO-SVRRBLITSA-N 1 0 205.279 0.051 10 0 BCAERO Cn1ncc(Br)c1[C@H](O)C1C[NH2+]C1 ZINC000306476617 360111630 /nfs/dbraw/zinc/11/16/30/360111630.db2.gz JDBPJJREQZNCFH-MRVPVSSYSA-N 1 0 246.108 0.435 10 0 BCAERO O=[S@]1CCCN([C@H]2CCC[NH2+]C2)CC1 ZINC000306484706 360160242 /nfs/dbraw/zinc/16/02/42/360160242.db2.gz MSWXCDKZUVKXMM-HZMBPMFUSA-N 1 0 216.350 0.193 10 0 BCAERO CO[C@]1(C)CC[N@@H+]([C@@H](C)C(N)=S)C1 ZINC000306488891 360190421 /nfs/dbraw/zinc/19/04/21/360190421.db2.gz VWTAJLBZDSLMEP-IONNQARKSA-N 1 0 202.323 0.772 10 0 BCAERO O=[S@@]1CCCN(CCC2C[NH2+]C2)CC1 ZINC000306491745 360210240 /nfs/dbraw/zinc/21/02/40/360210240.db2.gz WMQLPVVJUXOLEC-CQSZACIVSA-N 1 0 216.350 0.050 10 0 BCAERO OC[C@H]1C[C@@H]1[NH2+]C1CCC2(CC1)OCCO2 ZINC000306493889 360216866 /nfs/dbraw/zinc/21/68/66/360216866.db2.gz SRZISJBGNRZNRU-KOLCDFICSA-N 1 0 227.304 0.643 10 0 BCAERO COc1ncc([C@@]2(O)CC[C@H]([NH3+])C2)s1 ZINC000306496314 360224256 /nfs/dbraw/zinc/22/42/56/360224256.db2.gz XJAPCKVOYOZNPS-IMTBSYHQSA-N 1 0 214.290 0.851 10 0 BCAERO Cc1ncsc1[C@H](C)NC(=O)[C@H](C)[NH3+] ZINC000306498032 360234799 /nfs/dbraw/zinc/23/47/99/360234799.db2.gz SMFXRNLPNWVJBS-FSPLSTOPSA-N 1 0 213.306 0.976 10 0 BCAERO NC(=O)c1ccc(N[C@H]2CC[NH2+]C2)c(F)c1 ZINC000052093945 181301021 /nfs/dbraw/zinc/30/10/21/181301021.db2.gz JQIPIBPUZAAFEJ-QMMMGPOBSA-N 1 0 223.251 0.698 10 0 BCAERO COC[C@H]([NH3+])C(=O)Nc1cc(C)ns1 ZINC000306508623 360324959 /nfs/dbraw/zinc/32/49/59/360324959.db2.gz ALWABBXCMSDRIG-LURJTMIESA-N 1 0 215.278 0.364 10 0 BCAERO C[C@@H]1[C@H]([NH3+])CCCN1Cc1cnns1 ZINC000306524329 360368103 /nfs/dbraw/zinc/36/81/03/360368103.db2.gz ADTUPTCEFUQZCU-VXNVDRBHSA-N 1 0 212.322 0.850 10 0 BCAERO COC1CN([C@@H]2C[NH2+]C[C@H]2SC)C1 ZINC000306533656 360395960 /nfs/dbraw/zinc/39/59/60/360395960.db2.gz NQKSXSOBVLBKSQ-RKDXNWHRSA-N 1 0 202.323 0.020 10 0 BCAERO C[C@H]([NH3+])c1c[nH]c([C@H](C)S(C)(=O)=O)n1 ZINC000306536716 360396162 /nfs/dbraw/zinc/39/61/62/360396162.db2.gz HOSFPRGCUHSAKC-WDSKDSINSA-N 1 0 217.294 0.535 10 0 BCAERO [NH3+][C@H]1CCN([C@@H]2CCC(F)(F)C2)C1=O ZINC000306561133 360437829 /nfs/dbraw/zinc/43/78/29/360437829.db2.gz MYQGRWIBHVJUTR-RQJHMYQMSA-N 1 0 204.220 0.734 10 0 BCAERO C[C@H]([NH3+])[C@H](C)C(=O)N[C@@H]1CSC[C@@H]1C ZINC000306562752 360438927 /nfs/dbraw/zinc/43/89/27/360438927.db2.gz CPWNLNAZSMEWAE-XSPKLOCKSA-N 1 0 216.350 0.837 10 0 BCAERO CC1(C)CCC[C@](C[NH3+])(CCO)[C@H]1O ZINC000306538360 360404352 /nfs/dbraw/zinc/40/43/52/360404352.db2.gz MDXCGCFRHJTIIT-GXSJLCMTSA-N 1 0 201.310 0.885 10 0 BCAERO O=C(C[C@@H]1CSCC[NH2+]1)N1CCC1 ZINC000306541336 360410526 /nfs/dbraw/zinc/41/05/26/360410526.db2.gz XKZZSPFJTQYIQI-MRVPVSSYSA-N 1 0 200.307 0.314 10 0 BCAERO C[C@H]([NH3+])C[C@H](C)N1CCCS1(=O)=O ZINC000306544375 360414506 /nfs/dbraw/zinc/41/45/06/360414506.db2.gz UXGGTAHIABMITH-YUMQZZPRSA-N 1 0 206.311 0.148 10 0 BCAERO CC(C)[C@@H]([NH3+])C(=O)N1CCSC[C@H]1C ZINC000069761762 360421127 /nfs/dbraw/zinc/42/11/27/360421127.db2.gz CCKLFSHWBITYRC-RKDXNWHRSA-N 1 0 216.350 0.934 10 0 BCAERO CO[C@@H]1COCC[C@H]1[NH2+][C@H]1CCSC1 ZINC000306557449 360431541 /nfs/dbraw/zinc/43/15/41/360431541.db2.gz JBYNFOXXJUWNQS-IVZWLZJFSA-N 1 0 217.334 0.885 10 0 BCAERO C[C@@H]1[C@@H]([NH3+])CCCN1CC[S@@](C)=O ZINC000306560119 360435149 /nfs/dbraw/zinc/43/51/49/360435149.db2.gz BANZJAVARPMESG-VYUIOLGVSA-N 1 0 204.339 0.177 10 0 BCAERO C[C@@H](NC(=S)NN)C1CC[NH+](C)CC1 ZINC000306583228 360481997 /nfs/dbraw/zinc/48/19/97/360481997.db2.gz PNWYBPFHKUBKHS-SSDOTTSWSA-N 1 0 216.354 0.055 10 0 BCAERO C[NH2+][C@@H](C)C(=O)N[C@@H]1CS[C@@H](C)C1 ZINC000306585693 360485817 /nfs/dbraw/zinc/48/58/17/360485817.db2.gz QVYUPIYPBNKLJQ-FXQIFTODSA-N 1 0 202.323 0.605 10 0 BCAERO C[NH2+][C@@H](C)C(=O)N[C@@H]1CS[C@H](C)C1 ZINC000306585692 360485886 /nfs/dbraw/zinc/48/58/86/360485886.db2.gz QVYUPIYPBNKLJQ-CSMHCCOUSA-N 1 0 202.323 0.605 10 0 BCAERO C[C@@H]1C[C@H](C)N([S@@](C)=O)C[C@@H]1C[NH3+] ZINC000306589152 360494199 /nfs/dbraw/zinc/49/41/99/360494199.db2.gz WRHAJRUIXHLJEB-MRCNFZFLSA-N 1 0 204.339 0.585 10 0 BCAERO C[C@H](C[NH3+])C(=O)N[C@H]1CS[C@H](C)C1 ZINC000306590613 360496325 /nfs/dbraw/zinc/49/63/25/360496325.db2.gz VCKGLNBYMPPGFV-BWZBUEFSSA-N 1 0 202.323 0.591 10 0 BCAERO Cc1nc(NC(C[NH3+])C[NH3+])sc1C ZINC000306570610 360452491 /nfs/dbraw/zinc/45/24/91/360452491.db2.gz ZEVPEKRDMQYKTR-UHFFFAOYSA-N 1 0 200.311 0.458 10 0 BCAERO CC[C@@](C)([C@@H](C)[NH3+])N1CCS(=O)CC1 ZINC000306572551 360461192 /nfs/dbraw/zinc/46/11/92/360461192.db2.gz GXAUYNGDHHMYLK-ZJUUUORDSA-N 1 0 218.366 0.567 10 0 BCAERO CN(CC[NH3+])CC(F)(F)Br ZINC000306575571 360465030 /nfs/dbraw/zinc/46/50/30/360465030.db2.gz JOOHLZZEGNHDSB-UHFFFAOYSA-N 1 0 217.057 0.865 10 0 BCAERO CCn1nncc1C(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000300820169 360522825 /nfs/dbraw/zinc/52/28/25/360522825.db2.gz GXCFCTSCWMTKBA-SFYZADRCSA-N 1 0 208.265 0.608 10 0 BCAERO c1c2c(nn1-c1cccnc1)CC[NH2+]C2 ZINC000238047695 360538646 /nfs/dbraw/zinc/53/86/46/360538646.db2.gz AKFNAGFQYCDZRO-UHFFFAOYSA-N 1 0 200.245 0.913 10 0 BCAERO C[C@@H]1[NH2+]CCN(CC[S@](C)=O)[C@H]1C ZINC000306591138 360504782 /nfs/dbraw/zinc/50/47/82/360504782.db2.gz VKUSAORWSYNPMG-RVBZMBCESA-N 1 0 204.339 0.047 10 0 BCAERO Cc1nc(C)c(CN2C[C@@H]([NH3+])C2=O)s1 ZINC000306595743 360517425 /nfs/dbraw/zinc/51/74/25/360517425.db2.gz YCOUVMQWKIZUDV-SSDOTTSWSA-N 1 0 211.290 0.429 10 0 BCAERO CCn1nncc1C(=O)[C@H]1CCC[C@H]1[NH3+] ZINC000300819191 360517637 /nfs/dbraw/zinc/51/76/37/360517637.db2.gz GXCFCTSCWMTKBA-JGVFFNPUSA-N 1 0 208.265 0.608 10 0 BCAERO CC(C)(C)OC(=O)N[C@@H]1CO[C@@H]2[C@@H]([NH3+])CO[C@@H]12 ZINC000238112438 360573476 /nfs/dbraw/zinc/57/34/76/360573476.db2.gz XSXSNSZFCYKBPW-KDXUFGMBSA-N 1 0 244.291 0.005 10 0 BCAERO O=[S@](C1CCCC1)[C@@H]1C[NH2+]C[C@H]1O ZINC000306606972 360550280 /nfs/dbraw/zinc/55/02/80/360550280.db2.gz SOILMHWRFDQLSJ-JRKPZEMJSA-N 1 0 203.307 0.010 10 0 BCAERO CC(C)(C)OC(=O)NC[C@@H]1C[NH2+]CCOC1 ZINC000238161925 360660078 /nfs/dbraw/zinc/66/00/78/360660078.db2.gz GRBABAVJMWOKNR-VIFPVBQESA-N 1 0 230.308 0.747 10 0 BCAERO NC(=O)c1cccnc1N[C@H]1CCCC[C@@H]1[NH3+] ZINC000038050691 181307317 /nfs/dbraw/zinc/30/73/17/181307317.db2.gz ZKCKNRCWAXPHMS-UWVGGRQHSA-N 1 0 234.303 0.862 10 0 BCAERO NC(=O)c1cccnc1O[C@@]12CC[N@H+](C1)CCC2 ZINC000067786777 181307451 /nfs/dbraw/zinc/30/74/51/181307451.db2.gz ZRTNCLALFWESCF-ZDUSSCGKSA-N 1 0 247.298 0.798 10 0 BCAERO NC(=O)c1cccnc1N1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040750508 181307587 /nfs/dbraw/zinc/30/75/87/181307587.db2.gz ZPAIILXHLOMSOW-PBINXNQUSA-N 1 0 246.314 0.639 10 0 BCAERO NC(=O)c1ccnc(OC[C@H]2CC[NH2+]C2)c1 ZINC000051889043 181307622 /nfs/dbraw/zinc/30/76/22/181307622.db2.gz JBPAGAPTDVYEGG-QMMMGPOBSA-N 1 0 221.260 0.169 10 0 BCAERO NC(=O)c1cccnc1O[C@@H]1CCC[NH2+]C1 ZINC000051872410 181307717 /nfs/dbraw/zinc/30/77/17/181307717.db2.gz BMWRMIMLXDYTGG-MRVPVSSYSA-N 1 0 221.260 0.311 10 0 BCAERO NC(=O)c1cccnc1OC[C@@H]1CCC[NH2+]C1 ZINC000051882981 181307776 /nfs/dbraw/zinc/30/77/76/181307776.db2.gz HYPJCXIJZQBZNH-SECBINFHSA-N 1 0 235.287 0.559 10 0 BCAERO OCC[N@@H+]1CCC[C@H](NCc2cocn2)C1 ZINC000309557490 491151448 /nfs/dbraw/zinc/15/14/48/491151448.db2.gz IEIRVXCXHUOLKE-JTQLQIEISA-N 1 0 225.292 0.221 10 0 BCAERO C[C@H](NC(=O)C(C)(C)[NH3+])[C@@H]1CCCO1 ZINC000040920716 360781436 /nfs/dbraw/zinc/78/14/36/360781436.db2.gz QIOVDYCLLOXGIY-YUMQZZPRSA-N 1 0 200.282 0.407 10 0 BCAERO NC(=S)CCC[NH+]1CCC(O)CC1 ZINC000019472730 181315056 /nfs/dbraw/zinc/31/50/56/181315056.db2.gz XFAOJAZNSFFBTI-UHFFFAOYSA-N 1 0 202.323 0.509 10 0 BCAERO NC(=S)C[N@@H+]1CCCC[C@@H]1CCO ZINC000019429484 181316556 /nfs/dbraw/zinc/31/65/56/181316556.db2.gz RNNAENFLBDHJOY-MRVPVSSYSA-N 1 0 202.323 0.509 10 0 BCAERO NC(=S)c1nccn1-c1cc[nH+]cc1 ZINC000075851869 181322913 /nfs/dbraw/zinc/32/29/13/181322913.db2.gz DDWMAZBRXWWWOG-UHFFFAOYSA-N 1 0 204.258 0.902 10 0 BCAERO [NH3+]C1(C(=O)N(CCO)C2CC2)CCCCC1 ZINC000036136847 181324414 /nfs/dbraw/zinc/32/44/14/181324414.db2.gz FZQOKBAZIDSRSC-UHFFFAOYSA-N 1 0 226.320 0.631 10 0 BCAERO Cc1nnc(N2CC[NH2+][C@@H](C)C2)nc1C ZINC000158945937 361216130 /nfs/dbraw/zinc/21/61/30/361216130.db2.gz VJIMOVDRVUSUCU-ZETCQYMHSA-N 1 0 207.281 0.287 10 0 BCAERO C[C@@H]([NH3+])C(=O)N[C@@H](C)c1csnn1 ZINC000306623505 361258063 /nfs/dbraw/zinc/25/80/63/361258063.db2.gz WYAINERBUSMEPO-UHNVWZDZSA-N 1 0 200.267 0.063 10 0 BCAERO CCc1nnc(CN2CCCC[C@@H]2C[NH3+])n1C ZINC000579122966 366718057 /nfs/dbraw/zinc/71/80/57/366718057.db2.gz KZBQUPIHNKBIBL-SNVBAGLBSA-N 1 0 237.351 0.691 10 0 BCAERO CC1(C[NH2+][C@H]2CCc3nccn3C2)COC1 ZINC000309762161 491156055 /nfs/dbraw/zinc/15/60/55/491156055.db2.gz IYCIBOGDQUDOMN-JTQLQIEISA-N 1 0 221.304 0.824 10 0 BCAERO O=C(NC[C@@H]1CCC[NH2+]1)[C@H]1CCSC1 ZINC000069986732 361322447 /nfs/dbraw/zinc/32/24/47/361322447.db2.gz BPVVGFFYJVUKRM-IUCAKERBSA-N 1 0 214.334 0.608 10 0 BCAERO O=C(NC[C@H]1CCC[NH2+]1)[C@H]1CCSC1 ZINC000069986730 361322480 /nfs/dbraw/zinc/32/24/80/361322480.db2.gz BPVVGFFYJVUKRM-DTWKUNHWSA-N 1 0 214.334 0.608 10 0 BCAERO CCN1CCO[C@H](C[NH2+]Cc2cnc(C)o2)C1 ZINC000397929560 363785881 /nfs/dbraw/zinc/78/58/81/363785881.db2.gz CUDRMFUTPUSGLW-GFCCVEGCSA-N 1 0 239.319 0.793 10 0 BCAERO C[C@@H]1C[C@H](O)C[N@@H+]1C[C@@H]1CCOCO1 ZINC000306635578 361380048 /nfs/dbraw/zinc/38/00/48/361380048.db2.gz LIEYDZCWSNPCQX-UTLUCORTSA-N 1 0 201.266 0.205 10 0 BCAERO COC[C@H](C)NC(=O)CC[C@H]1CCC[NH2+]C1 ZINC000036757046 361395715 /nfs/dbraw/zinc/39/57/15/361395715.db2.gz WNOSUBXRUHGCRV-WDEREUQCSA-N 1 0 228.336 0.917 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)O1 ZINC000379744951 361426888 /nfs/dbraw/zinc/42/68/88/361426888.db2.gz RYHSMILRVLRYMY-PRULPYPASA-N 1 0 240.347 0.997 10 0 BCAERO CCc1nnc(CN2CC[NH2+]C[C@@H]2C)n1C ZINC000379748691 361478073 /nfs/dbraw/zinc/47/80/73/361478073.db2.gz ATNOMUSQGMWAQC-VIFPVBQESA-N 1 0 223.324 0.171 10 0 BCAERO CCN(Cc1ccoc1)C(=O)[C@H]([NH3+])COC ZINC000629601216 361492278 /nfs/dbraw/zinc/49/22/78/361492278.db2.gz HUTNJSYLEGBHCE-SNVBAGLBSA-N 1 0 226.276 0.602 10 0 BCAERO NC1(c2noc(C(F)(F)F)n2)CC[NH2+]CC1 ZINC000040695478 181336027 /nfs/dbraw/zinc/33/60/27/181336027.db2.gz NHEDLFNERLGCQE-UHFFFAOYSA-N 1 0 236.197 0.626 10 0 BCAERO COCc1noc([C@]2(C)C[C@H](OC)C[NH2+]2)n1 ZINC000629678194 361600776 /nfs/dbraw/zinc/60/07/76/361600776.db2.gz IOOUKMLZVUFSNG-XVKPBYJWSA-N 1 0 227.264 0.440 10 0 BCAERO [NH3+]C1CC(NS(=O)(=O)c2cccc(F)c2)C1 ZINC000036265939 181340071 /nfs/dbraw/zinc/34/00/71/181340071.db2.gz GJZFEKHWNOTETF-UHFFFAOYSA-N 1 0 244.291 0.594 10 0 BCAERO [NH3+]C1CC(NC(=O)c2ccc[nH]c2=O)C1 ZINC000036237173 181340109 /nfs/dbraw/zinc/34/01/09/181340109.db2.gz PZBIMLLRTPZEIY-UHFFFAOYSA-N 1 0 207.233 0.007 10 0 BCAERO [NH3+]C1CCC(C(=O)N2CCCOCC2)CC1 ZINC000061920504 181340142 /nfs/dbraw/zinc/34/01/42/181340142.db2.gz YBEWFPJIYXNPJA-UHFFFAOYSA-N 1 0 226.320 0.753 10 0 BCAERO C[C@@H]([NH3+])[C@H](N1CC(C)(O)C1)C(F)(F)F ZINC000306639154 361590364 /nfs/dbraw/zinc/59/03/64/361590364.db2.gz CYCMHWKLTKFQAE-RITPCOANSA-N 1 0 212.215 0.331 10 0 BCAERO O=C1NCC[C@@H]1[NH2+]C[C@@H]1CCCCS1 ZINC000306639008 361590446 /nfs/dbraw/zinc/59/04/46/361590446.db2.gz CFKJBJSBEBHCFK-IUCAKERBSA-N 1 0 214.334 0.750 10 0 BCAERO [NH3+]C1CC(NC(=O)Cc2ccsc2)C1 ZINC000036236982 181340616 /nfs/dbraw/zinc/34/06/16/181340616.db2.gz MKFMWHUHEAXIQE-UHFFFAOYSA-N 1 0 210.302 0.897 10 0 BCAERO [NH3+]C1CCC(CC(=O)N2CC[C@@H](O)C2)CC1 ZINC000061714121 181341338 /nfs/dbraw/zinc/34/13/38/181341338.db2.gz ULWJLBBDBAZRBK-VQXHTEKXSA-N 1 0 226.320 0.487 10 0 BCAERO [NH3+]C1CCC(CC(=O)N2CCC[C@@H]2CO)CC1 ZINC000055139886 181341453 /nfs/dbraw/zinc/34/14/53/181341453.db2.gz YGJXHDWKPMBYFI-HTAVTVPLSA-N 1 0 240.347 0.877 10 0 BCAERO C[C@H]1CN(c2nc(C[NH3+])cs2)CCO1 ZINC000070628761 361680627 /nfs/dbraw/zinc/68/06/27/361680627.db2.gz LMFATZBSBYAVPG-ZETCQYMHSA-N 1 0 213.306 0.827 10 0 BCAERO [NH3+]C1CCN(CC(=O)c2ccccn2)CC1 ZINC000095072379 181344064 /nfs/dbraw/zinc/34/40/64/181344064.db2.gz GOASIIWNMWWNIW-UHFFFAOYSA-N 1 0 219.288 0.687 10 0 BCAERO Cn1ccnc1SC[C@H]1C[NH2+]CCO1 ZINC000070649798 361696122 /nfs/dbraw/zinc/69/61/22/361696122.db2.gz MQLBQWNYZCIDBP-MRVPVSSYSA-N 1 0 213.306 0.501 10 0 BCAERO [NH3+]CC(=O)N(CCO)C1CCCCC1 ZINC000037809719 181348520 /nfs/dbraw/zinc/34/85/20/181348520.db2.gz SQSIMEKFKPNXRN-UHFFFAOYSA-N 1 0 200.282 0.099 10 0 BCAERO [NH3+]CC(=O)NCC(=O)Nc1ccccc1Cl ZINC000037481764 181351745 /nfs/dbraw/zinc/35/17/45/181351745.db2.gz WZAZHVUQOGFCMN-UHFFFAOYSA-N 1 0 241.678 0.353 10 0 BCAERO CCCc1nccn1CC[C@@H]([NH3+])C(N)=O ZINC000069964629 541307613 /nfs/dbraw/zinc/30/76/13/541307613.db2.gz FTFORLORAMQENJ-MRVPVSSYSA-N 1 0 210.281 0.038 10 0 BCAERO CCS(=O)(=O)N1CCCC[C@H](C[NH3+])C1 ZINC000306369067 541312966 /nfs/dbraw/zinc/31/29/66/541312966.db2.gz BIVLGHHJIDNLIB-SECBINFHSA-N 1 0 220.338 0.397 10 0 BCAERO C[C@@H]1COC[C@@H](CC(=O)[C@H]2CCCO2)[NH2+]1 ZINC000307068714 541314991 /nfs/dbraw/zinc/31/49/91/541314991.db2.gz XKEFKJKEZLEENZ-FXPVBKGRSA-N 1 0 213.277 0.502 10 0 BCAERO C[C@@H]1CCC[C@H]1C(=O)N[C@@H](CO)C[NH+](C)C ZINC000614850946 364004620 /nfs/dbraw/zinc/00/46/20/364004620.db2.gz CYOUJPXTSUVQNU-GMTAPVOTSA-N 1 0 228.336 0.461 10 0 BCAERO [NH3+]CC(=O)NCc1ccc(F)c(F)c1 ZINC000049578080 181353605 /nfs/dbraw/zinc/35/36/05/181353605.db2.gz GJRMYXAYSGKSBD-UHFFFAOYSA-N 1 0 200.188 0.540 10 0 BCAERO Cc1ccc(C[NH3+])c2c1C[C@@H](C(=O)[O-])[NH2+]C2 ZINC000725256031 541332849 /nfs/dbraw/zinc/33/28/49/541332849.db2.gz RVZMBQXMNYUSLM-NSHDSACASA-N 1 0 220.272 0.553 10 0 BCAERO CC(C)(C)NC(=O)NC[C@H]([NH3+])[C@H]1CCCOC1 ZINC000725255134 541332354 /nfs/dbraw/zinc/33/23/54/541332354.db2.gz UDZZUQKVZIBLJD-UWVGGRQHSA-N 1 0 243.351 0.838 10 0 BCAERO CCOCCN1C[C@H](OC)C[C@@]1(C)C[NH3+] ZINC000630356052 364077053 /nfs/dbraw/zinc/07/70/53/364077053.db2.gz NFYHJFRSBNUYSA-MNOVXSKESA-N 1 0 216.325 0.461 10 0 BCAERO CO[C@@H]1C[N@H+](CC2CCOCC2)[C@@](C)(C[NH3+])C1 ZINC000630363728 364079568 /nfs/dbraw/zinc/07/95/68/364079568.db2.gz QXJZYDPBPOEWBV-QWHCGFSZSA-N 1 0 242.363 0.851 10 0 BCAERO CO[C@H]1CN(Cc2ccno2)[C@](C)(C[NH3+])C1 ZINC000630361802 364081054 /nfs/dbraw/zinc/08/10/54/364081054.db2.gz VWNZCJZJQGHJOX-MNOVXSKESA-N 1 0 225.292 0.613 10 0 BCAERO CCCC(=O)N1C[C@H](OC)C[C@@]1(C)C[NH3+] ZINC000630360191 364081223 /nfs/dbraw/zinc/08/12/23/364081223.db2.gz IRXBFNLGYRFASG-KOLCDFICSA-N 1 0 214.309 0.751 10 0 BCAERO CC[C@]([NH3+])(CCCn1ccnc1)C(N)=O ZINC000725256038 541332893 /nfs/dbraw/zinc/33/28/93/541332893.db2.gz QJIRHDSZJRAXSN-JTQLQIEISA-N 1 0 210.281 0.256 10 0 BCAERO CCS(=O)(=O)N1CCC[NH2+]C2(CC2)C1 ZINC000725241582 541329685 /nfs/dbraw/zinc/32/96/85/541329685.db2.gz IDCXAWGXYDDPLB-UHFFFAOYSA-N 1 0 218.322 0.164 10 0 BCAERO CCN(CC)C(=O)N1C[C@H](OC)C[C@]1(C)C[NH3+] ZINC000630363342 364081810 /nfs/dbraw/zinc/08/18/10/364081810.db2.gz YTHANWUVEKQRKW-ZYHUDNBSSA-N 1 0 243.351 0.886 10 0 BCAERO CCN(CC)C(=O)N1C[C@@H](OC)C[C@]1(C)C[NH3+] ZINC000630363335 364082038 /nfs/dbraw/zinc/08/20/38/364082038.db2.gz YTHANWUVEKQRKW-CMPLNLGQSA-N 1 0 243.351 0.886 10 0 BCAERO CCN(CC)C(=O)N1C[C@@H](OC)C[C@@]1(C)C[NH3+] ZINC000630363338 364082148 /nfs/dbraw/zinc/08/21/48/364082148.db2.gz YTHANWUVEKQRKW-JQWIXIFHSA-N 1 0 243.351 0.886 10 0 BCAERO CCOCCC(=O)N1C[C@@H](OC)C[C@]1(C)C[NH3+] ZINC000630368262 364084984 /nfs/dbraw/zinc/08/49/84/364084984.db2.gz QAVOAVSMCRFANU-CMPLNLGQSA-N 1 0 244.335 0.378 10 0 BCAERO CO[C@@H]1CN(C(=O)C(C)C)[C@@](C)(C[NH3+])C1 ZINC000630365852 364082935 /nfs/dbraw/zinc/08/29/35/364082935.db2.gz ZBTOTUFPGOTYQV-GXSJLCMTSA-N 1 0 214.309 0.607 10 0 BCAERO CO[C@H]1CN(C(=O)c2ccco2)[C@](C)(C[NH3+])C1 ZINC000630364824 364082968 /nfs/dbraw/zinc/08/29/68/364082968.db2.gz WEEWFWRLYRHGGY-SKDRFNHKSA-N 1 0 238.287 0.858 10 0 BCAERO CO[C@H]1CN(C(=O)CC(C)C)[C@](C)(C[NH3+])C1 ZINC000630365861 364083176 /nfs/dbraw/zinc/08/31/76/364083176.db2.gz ZDAFUEYLMDKDMQ-PWSUYJOCSA-N 1 0 228.336 0.997 10 0 BCAERO C[N@H+](CC(C)(C)O)[C@@H]1CCCC[C@H]1[NH3+] ZINC000252612105 364055079 /nfs/dbraw/zinc/05/50/79/364055079.db2.gz WCNPVENHABTHPC-NXEZZACHSA-N 1 0 200.326 0.959 10 0 BCAERO CO[C@H]1CN(Cc2noc(C)n2)[C@@](C)(C[NH3+])C1 ZINC000630369752 364087017 /nfs/dbraw/zinc/08/70/17/364087017.db2.gz XSOSQZRSSSHDNY-MWLCHTKSSA-N 1 0 240.307 0.316 10 0 BCAERO CO[C@@H]1CN(C[C@@H]2CCCCO2)[C@](C)(C[NH3+])C1 ZINC000630370319 364087996 /nfs/dbraw/zinc/08/79/96/364087996.db2.gz YZBZNRBQBINOSO-AVGNSLFASA-N 1 0 242.363 0.994 10 0 BCAERO CO[C@H]1CN(C(=O)[C@H]2CCCO2)[C@](C)(C[NH3+])C1 ZINC000630374970 364089057 /nfs/dbraw/zinc/08/90/57/364089057.db2.gz PXSKORZEZICCMY-FOGDFJRCSA-N 1 0 242.319 0.130 10 0 BCAERO CC(C)(C)C(=O)NC[C@@H]1OC(=O)CC12C[NH2+]C2 ZINC000725263346 541336729 /nfs/dbraw/zinc/33/67/29/541336729.db2.gz OVTBEHDCLGHDIK-QMMMGPOBSA-N 1 0 240.303 0.054 10 0 BCAERO [NH3+]CC(=O)Nc1cccc(-n2ccnc2)c1 ZINC000037013457 181355520 /nfs/dbraw/zinc/35/55/20/181355520.db2.gz IJRPEQBFNWUQSQ-UHFFFAOYSA-N 1 0 216.244 0.770 10 0 BCAERO [NH3+]CC1(C(=O)N2CC[C@@H](O)C2)CCCCC1 ZINC000061710996 181356913 /nfs/dbraw/zinc/35/69/13/181356913.db2.gz RMJMIZNGBXQXFK-SNVBAGLBSA-N 1 0 226.320 0.489 10 0 BCAERO C[C@H](O)C[N@H+](C)[C@@H]1CCO[C@]12CCOC2 ZINC000725268934 541338422 /nfs/dbraw/zinc/33/84/22/541338422.db2.gz HDNJTMYLWNWQAD-AXFHLTTASA-N 1 0 215.293 0.247 10 0 BCAERO CC(C)C[NH2+]C[C@H](O)[C@@H]1COC(C)(C)O1 ZINC000725269770 541339096 /nfs/dbraw/zinc/33/90/96/541339096.db2.gz YTAOAEAUMYZBFF-UWVGGRQHSA-N 1 0 217.309 0.744 10 0 BCAERO [NH3+]CC1(C(=O)N2CCC[C@@H](O)C2)CCCC1 ZINC000044763355 181356898 /nfs/dbraw/zinc/35/68/98/181356898.db2.gz QSIKBRNSJGHDKL-SNVBAGLBSA-N 1 0 226.320 0.489 10 0 BCAERO OCCc1ccc([C@@H]2COCC[NH2+]2)cc1 ZINC000215375671 370764851 /nfs/dbraw/zinc/76/48/51/370764851.db2.gz BCHFWLYENHSUGN-LBPRGKRZSA-N 1 0 207.273 0.882 10 0 BCAERO [NH3+]CC1(C(=O)N2CCC[C@@H](O)C2)CCC1 ZINC000082641884 181358353 /nfs/dbraw/zinc/35/83/53/181358353.db2.gz PFIKTPGSDQUIFR-SECBINFHSA-N 1 0 212.293 0.099 10 0 BCAERO COc1ccnc(NCC2([NH3+])CCOCC2)n1 ZINC000630525747 364212072 /nfs/dbraw/zinc/21/20/72/364212072.db2.gz IIRPROHUYDMASW-UHFFFAOYSA-N 1 0 238.291 0.405 10 0 BCAERO C[NH2+]CCOCCN(C)c1nnc(C)s1 ZINC000630528632 364216051 /nfs/dbraw/zinc/21/60/51/364216051.db2.gz KGGDHTRNBKRWBQ-UHFFFAOYSA-N 1 0 230.337 0.519 10 0 BCAERO C[NH2+]CCOCCNc1nccc(OC)n1 ZINC000630528266 364217362 /nfs/dbraw/zinc/21/73/62/364217362.db2.gz DRMCOGVRPCUSMN-UHFFFAOYSA-N 1 0 226.280 0.133 10 0 BCAERO C[NH2+]CCOCCN(C)c1cc(C)ncn1 ZINC000630530342 364219049 /nfs/dbraw/zinc/21/90/49/364219049.db2.gz JOBLSEXBSAGKFQ-UHFFFAOYSA-N 1 0 224.308 0.457 10 0 BCAERO NC(=O)c1ccc(N2CCCCC[C@H]([NH3+])C2)nn1 ZINC000630548690 364245113 /nfs/dbraw/zinc/24/51/13/364245113.db2.gz IVXDUUXPVABKCF-VIFPVBQESA-N 1 0 249.318 0.283 10 0 BCAERO C[C@@H]1CN(c2nccn3cnnc23)C[C@H]1C[NH3+] ZINC000630552382 364246411 /nfs/dbraw/zinc/24/64/11/364246411.db2.gz FAHJXEXMCIQXFX-RKDXNWHRSA-N 1 0 232.291 0.155 10 0 BCAERO Cc1nccc(N2C[C@H](C)[C@@H](C[NH3+])C2)n1 ZINC000630552387 364246500 /nfs/dbraw/zinc/24/65/00/364246500.db2.gz FAIUQBZKGXAFEQ-WPRPVWTQSA-N 1 0 206.293 0.816 10 0 BCAERO [NH3+]CC1(C(=O)NC[C@H]2CCC[C@@H]2O)CCCC1 ZINC000123026353 181359333 /nfs/dbraw/zinc/35/93/33/181359333.db2.gz FRLBAAKJLYFOSH-MNOVXSKESA-N 1 0 240.347 0.783 10 0 BCAERO NCC1([N@@H+]2CCCSCC2)CCOCC1 ZINC000042443454 181359960 /nfs/dbraw/zinc/35/99/60/181359960.db2.gz IVJPKICXKQDVHY-UHFFFAOYSA-N 1 0 230.377 0.933 10 0 BCAERO C[C@@H]1CN(c2ncnc3[nH]ccc32)C[C@H]1C[NH3+] ZINC000630570956 364265576 /nfs/dbraw/zinc/26/55/76/364265576.db2.gz NFCKWNCIBJIDJF-RKDXNWHRSA-N 1 0 231.303 0.989 10 0 BCAERO C[C@H]1CN(c2ncnc3nc[nH]c32)C[C@H]1C[NH3+] ZINC000630569924 364265761 /nfs/dbraw/zinc/26/57/61/364265761.db2.gz KQDMTFKZVFBYTN-JGVFFNPUSA-N 1 0 232.291 0.384 10 0 BCAERO C[C@@H]1CN(c2cn[nH]c(=O)c2Cl)C[C@@H]1C[NH3+] ZINC000630569934 364266340 /nfs/dbraw/zinc/26/63/40/364266340.db2.gz KSCWVPBPCJGMEU-RQJHMYQMSA-N 1 0 242.710 0.867 10 0 BCAERO C[C@@H]1CN(c2ncnc3[nH]ccc32)C[C@@H]1C[NH3+] ZINC000630570953 364266462 /nfs/dbraw/zinc/26/64/62/364266462.db2.gz NFCKWNCIBJIDJF-BDAKNGLRSA-N 1 0 231.303 0.989 10 0 BCAERO C[C@H]1CN(c2ccc3nncn3n2)C[C@@H]1C[NH3+] ZINC000630571737 364267221 /nfs/dbraw/zinc/26/72/21/364267221.db2.gz OVULFNJZASNYDW-IUCAKERBSA-N 1 0 232.291 0.155 10 0 BCAERO Cc1nnc(N2C[C@@H](C[NH3+])[C@H](C)C2)s1 ZINC000630573553 364270002 /nfs/dbraw/zinc/27/00/02/364270002.db2.gz UVPOQIDGXUJMAT-HTRCEHHLSA-N 1 0 212.322 0.878 10 0 BCAERO C[C@@H]1CC[C@H](Nc2ccc3nccnc3n2)C[NH2+]1 ZINC000630534508 364227281 /nfs/dbraw/zinc/22/72/81/364227281.db2.gz LVGSPUJJIBBQBV-ZJUUUORDSA-N 1 0 243.314 0.951 10 0 BCAERO Cc1cc(N2C[C@H](C)[C@@H](C[NH3+])C2)ncn1 ZINC000630575022 364273857 /nfs/dbraw/zinc/27/38/57/364273857.db2.gz WSIDHDODASSITC-WPRPVWTQSA-N 1 0 206.293 0.816 10 0 BCAERO CCCCNC(=O)C[NH2+][C@@H]1CCO[C@@H]1C ZINC000134541583 364405053 /nfs/dbraw/zinc/40/50/53/364405053.db2.gz WYYBXJDEOWGNHD-NXEZZACHSA-N 1 0 214.309 0.670 10 0 BCAERO [NH3+]CC1CCN(C(=O)c2cnns2)CC1 ZINC000044512593 181365590 /nfs/dbraw/zinc/36/55/90/181365590.db2.gz MJYJFIMNQNRNQI-UHFFFAOYSA-N 1 0 226.305 0.349 10 0 BCAERO COCCOCCC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170855110 364531447 /nfs/dbraw/zinc/53/14/47/364531447.db2.gz AGQBAXXMXWIXFE-LLVKDONJSA-N 1 0 244.335 0.202 10 0 BCAERO CSCCC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170860814 364533311 /nfs/dbraw/zinc/53/33/11/364533311.db2.gz XPCRHNZDWMWVJI-VIFPVBQESA-N 1 0 216.350 0.902 10 0 BCAERO CCOCCCC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170866200 364544589 /nfs/dbraw/zinc/54/45/89/364544589.db2.gz FMMZEHSTSJKYTG-LLVKDONJSA-N 1 0 228.336 0.966 10 0 BCAERO CCOC(=O)[C@H](C)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000247005829 364616978 /nfs/dbraw/zinc/61/69/78/364616978.db2.gz BSSBVOCXPMPIMX-QWRGUYRKSA-N 1 0 226.320 0.718 10 0 BCAERO [NH3+]CCC(=O)N[C@H]1CCC[C@@H]1n1ccnc1 ZINC000037045769 181369202 /nfs/dbraw/zinc/36/92/02/181369202.db2.gz CQFBBYHOWJVWFK-UWVGGRQHSA-N 1 0 222.292 0.442 10 0 BCAERO [NH3+]CCC(=O)Nc1cccc2n[nH]cc21 ZINC000037769549 181368599 /nfs/dbraw/zinc/36/85/99/181368599.db2.gz CAECFMJVSZMEBY-UHFFFAOYSA-N 1 0 204.233 0.850 10 0 BCAERO [NH3+]CCC(=O)Nc1ccc(-n2cc[nH]c2=O)cc1 ZINC000037768964 181369271 /nfs/dbraw/zinc/36/92/71/181369271.db2.gz UTYVSSHEMJSNLE-UHFFFAOYSA-N 1 0 246.270 0.453 10 0 BCAERO [NH3+]CCC(=O)Nc1ccc2nccnc2c1 ZINC000037765709 181368680 /nfs/dbraw/zinc/36/86/80/181368680.db2.gz JIXOHVUIOOYKER-UHFFFAOYSA-N 1 0 216.244 0.917 10 0 BCAERO COC(=O)[C@@H]1CCC[N@@H+]([C@@H]2CCC[C@H]2O)C1 ZINC000252701289 364671515 /nfs/dbraw/zinc/67/15/15/364671515.db2.gz CRTMQZPINHLYKK-GMTAPVOTSA-N 1 0 227.304 0.785 10 0 BCAERO C[C@@H](O)CC[N@H+](C)C[C@H]1CN(C)CCO1 ZINC000253200593 364685357 /nfs/dbraw/zinc/68/53/57/364685357.db2.gz XELPBXCBVHNJHW-MNOVXSKESA-N 1 0 216.325 0.020 10 0 BCAERO NC(=O)c1ccsc1NC(=O)CC[NH3+] ZINC000040859346 181369797 /nfs/dbraw/zinc/36/97/97/181369797.db2.gz NUUXHJZXLJDUHM-UHFFFAOYSA-N 1 0 213.262 0.134 10 0 BCAERO [NH3+]CCC(=O)OCCc1ccc2c(c1)CC(=O)N2 ZINC000077421142 181370037 /nfs/dbraw/zinc/37/00/37/181370037.db2.gz WTWHFNDLADOHDB-UHFFFAOYSA-N 1 0 248.282 0.616 10 0 BCAERO OC1CC[NH+](C[C@@H]2C[C@H]3COC[C@@H]3O2)CC1 ZINC000675079395 541391917 /nfs/dbraw/zinc/39/19/17/541391917.db2.gz FSSLUNRXIOGIDV-DLOVCJGASA-N 1 0 227.304 0.247 10 0 BCAERO Cn1ccc(CC(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)n1 ZINC000573833962 364927162 /nfs/dbraw/zinc/92/71/62/364927162.db2.gz IXIWGJKNDJSAMX-MVWJERBFSA-N 1 0 248.330 0.158 10 0 BCAERO Cn1ccc(CC(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)n1 ZINC000573833963 364927400 /nfs/dbraw/zinc/92/74/00/364927400.db2.gz IXIWGJKNDJSAMX-WCQGTBRESA-N 1 0 248.330 0.158 10 0 BCAERO COCCN(CC[NH3+])C(=O)[C@H](C)C(C)C ZINC000124281930 541424316 /nfs/dbraw/zinc/42/43/16/541424316.db2.gz LYHCMZHFOKDAGF-SNVBAGLBSA-N 1 0 216.325 0.712 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)NC1C[C@@H](C)O[C@H](C)C1 ZINC000573971269 364957962 /nfs/dbraw/zinc/95/79/62/364957962.db2.gz RPYDZFIZHHIJGD-DNRKLUKYSA-N 1 0 240.347 0.914 10 0 BCAERO [NH3+]CCCN1C(=O)Cc2ccccc2C1=O ZINC000036965044 181379358 /nfs/dbraw/zinc/37/93/58/181379358.db2.gz ZOIDIWFJLFUKLD-UHFFFAOYSA-N 1 0 218.256 0.560 10 0 BCAERO CC(C)CC(=O)N1CCC[C@]([NH3+])(CO)C1 ZINC000669385114 541438556 /nfs/dbraw/zinc/43/85/56/541438556.db2.gz YYFXKKYGIHYAPQ-LLVKDONJSA-N 1 0 214.309 0.345 10 0 BCAERO CCS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+]C)C1 ZINC000082818528 541435107 /nfs/dbraw/zinc/43/51/07/541435107.db2.gz UJYNFQLJVPRVQQ-RKDXNWHRSA-N 1 0 205.323 0.952 10 0 BCAERO CCC[C@H](C)C(=O)N[C@@]1(CO)CCC[NH2+]C1 ZINC000669385001 541438314 /nfs/dbraw/zinc/43/83/14/541438314.db2.gz RYMUPLYISYIFLB-JQWIXIFHSA-N 1 0 228.336 0.653 10 0 BCAERO [NH3+]CCCN1C(=O)[C@@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O ZINC000051355119 181380371 /nfs/dbraw/zinc/38/03/71/181380371.db2.gz PZPKRSUKLMHBIN-UTINFBMNSA-N 1 0 220.272 0.142 10 0 BCAERO CO[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CN(C)CCO2)C1 ZINC000252563348 541450452 /nfs/dbraw/zinc/45/04/52/541450452.db2.gz XHWICAVGAWIEFM-UPJWGTAASA-N 1 0 242.363 0.864 10 0 BCAERO [NH3+]CCCNC(=O)[C@@H]1Cc2ccccc2N1 ZINC000041043499 181382531 /nfs/dbraw/zinc/38/25/31/181382531.db2.gz NMOZETVMOPYESN-NSHDSACASA-N 1 0 219.288 0.488 10 0 BCAERO [NH3+]CCN1CCN(Cc2ccccc2F)CC1 ZINC000019933491 181391519 /nfs/dbraw/zinc/39/15/19/181391519.db2.gz IEFLXTMIRICCCV-UHFFFAOYSA-N 1 0 237.322 0.902 10 0 BCAERO [NH3+]CCCn1nnnc1-c1cccs1 ZINC000042199306 181390072 /nfs/dbraw/zinc/39/00/72/181390072.db2.gz GGUXXRTVJJQIBJ-UHFFFAOYSA-N 1 0 209.278 0.750 10 0 BCAERO [NH3+]CCN1CCCN(C(=O)C2CCC2)CC1 ZINC000037038385 181391700 /nfs/dbraw/zinc/39/17/00/181391700.db2.gz PFUQWEBHRSNMQO-UHFFFAOYSA-N 1 0 225.336 0.280 10 0 BCAERO [NH3+]CCN1C(=O)Cc2ccccc2C1=O ZINC000037404804 181390828 /nfs/dbraw/zinc/39/08/28/181390828.db2.gz TZXRBHWPYNQSEV-UHFFFAOYSA-N 1 0 204.229 0.170 10 0 BCAERO [NH3+]CCCn1nnnc1-c1cccc(F)c1 ZINC000042199332 181390915 /nfs/dbraw/zinc/39/09/15/181390915.db2.gz OUSZTHLVIJNYJF-UHFFFAOYSA-N 1 0 221.239 0.828 10 0 BCAERO [NH3+]CCN1C(=O)NC2(CCCCC2)C1=O ZINC000019407163 181391132 /nfs/dbraw/zinc/39/11/32/181391132.db2.gz XJNAJWPJSDCMFQ-UHFFFAOYSA-N 1 0 211.265 0.200 10 0 BCAERO [NH3+]CCN(C(=O)c1cccc(O)c1)C1CC1 ZINC000041056755 181391136 /nfs/dbraw/zinc/39/11/36/181391136.db2.gz SJLDXZOJLGDTKO-UHFFFAOYSA-N 1 0 220.272 0.956 10 0 BCAERO [NH3+]CCNCc1cc2ccccc2[nH]c1=O ZINC000037712698 181398044 /nfs/dbraw/zinc/39/80/44/181398044.db2.gz CPAHCVPNZGWWBG-UHFFFAOYSA-N 1 0 217.272 0.576 10 0 BCAERO [NH3+]CCOc1cc2ccccc2c(=O)[nH]1 ZINC000051870012 181399405 /nfs/dbraw/zinc/39/94/05/181399405.db2.gz NECUZCJMIRRLJZ-UHFFFAOYSA-N 1 0 204.229 0.866 10 0 BCAERO [NH3+]CCOCCn1ccc2ccccc2c1=O ZINC000057795213 181399468 /nfs/dbraw/zinc/39/94/68/181399468.db2.gz XNFAZFGQZJXFTL-UHFFFAOYSA-N 1 0 232.283 0.977 10 0 BCAERO C([C@@H]1CCCOC1)[N@@H+]1CC[C@H]2OCCN[C@H]2C1 ZINC000575046224 365176736 /nfs/dbraw/zinc/17/67/36/365176736.db2.gz HKMLPMPLQXVBGR-RWMBFGLXSA-N 1 0 240.347 0.476 10 0 BCAERO C[C@@H]1COC[C@H](C)N1C(=O)CC[NH2+]C1CC1 ZINC000574770234 365141584 /nfs/dbraw/zinc/14/15/84/365141584.db2.gz HOGDHMOYPKHWRQ-AOOOYVTPSA-N 1 0 226.320 0.764 10 0 BCAERO [NH3+]CCc1ccc(CN2C(=O)C=CC2=O)cc1 ZINC000052899504 181411950 /nfs/dbraw/zinc/41/19/50/181411950.db2.gz VSMLEHGHWWFGFG-UHFFFAOYSA-N 1 0 230.267 0.613 10 0 BCAERO [NH3+]CCc1cccc(C(=O)NCc2cn[nH]c2)c1 ZINC000053662659 181412171 /nfs/dbraw/zinc/41/21/71/181412171.db2.gz YATJGCZTBKDRQJ-UHFFFAOYSA-N 1 0 244.298 0.841 10 0 BCAERO [NH3+]CCc1ccc2c(c1)CCS2(=O)=O ZINC000082373352 181412410 /nfs/dbraw/zinc/41/24/10/181412410.db2.gz FEUFTUNBYGDDGT-UHFFFAOYSA-N 1 0 211.286 0.518 10 0 BCAERO [NH3+]CCc1cnc(OCC(F)(F)F)nc1 ZINC000095760908 181413011 /nfs/dbraw/zinc/41/30/11/181413011.db2.gz OADFHCRHJLUYSL-UHFFFAOYSA-N 1 0 221.182 0.919 10 0 BCAERO [NH3+]C[C@@H](CO)c1ccc2c(c1)OCCO2 ZINC000071511425 181419140 /nfs/dbraw/zinc/41/91/40/181419140.db2.gz WANAYEZRFUNLIW-VIFPVBQESA-N 1 0 209.245 0.492 10 0 BCAERO [NH3+]C[C@@H]1CC(=O)N(Cc2ccncc2)C1 ZINC000019669360 181427008 /nfs/dbraw/zinc/42/70/08/181427008.db2.gz AVOQDNLEDINLJZ-JTQLQIEISA-N 1 0 205.261 0.389 10 0 BCAERO [NH3+]C[C@@H]1CCCCN1C(=O)C1CCOCC1 ZINC000044540903 181427678 /nfs/dbraw/zinc/42/76/78/181427678.db2.gz SUMARHLINGUMQQ-NSHDSACASA-N 1 0 226.320 0.753 10 0 BCAERO CSCC(=O)N1CCN(C[C@@H](C)O)[C@@H](C)C1 ZINC000174311594 365481150 /nfs/dbraw/zinc/48/11/50/365481150.db2.gz ABHSGALPUKIKJO-VHSXEESVSA-N 1 0 246.376 0.263 10 0 BCAERO COC(=O)N1CC2(C1)C[C@@H]([NH3+])c1nccn12 ZINC000675049981 541462131 /nfs/dbraw/zinc/46/21/31/541462131.db2.gz DOBWRMPGGIYGOR-SSDOTTSWSA-N 1 0 222.248 0.064 10 0 BCAERO CCCCS(=O)(=O)N1CC[C@@H]2CC[NH2+]C[C@@H]21 ZINC000675056313 541462341 /nfs/dbraw/zinc/46/23/41/541462341.db2.gz HCOFMISAPBVNMM-QWRGUYRKSA-N 1 0 246.376 0.800 10 0 BCAERO CC1CCC(CN2CCOC[C@H]2C(N)=O)CC1 ZINC000182632881 366924782 /nfs/dbraw/zinc/92/47/82/366924782.db2.gz JLXVZJPIPLKNDT-MCIGGMRASA-N 1 0 240.347 0.999 10 0 BCAERO COc1cccc2cc(C[NH3+])c(=O)[nH]c21 ZINC000011980096 541481699 /nfs/dbraw/zinc/48/16/99/541481699.db2.gz UMTRCPWFBNIPFH-UHFFFAOYSA-N 1 0 204.229 0.995 10 0 BCAERO CCS(=O)(=O)N1CCCC2(C[NH2+]C2)C1 ZINC000685947597 541496765 /nfs/dbraw/zinc/49/67/65/541496765.db2.gz PTPPPPPCNDWBAV-UHFFFAOYSA-N 1 0 218.322 0.022 10 0 BCAERO c1nnn([C@@H]2CC[NH2+]C2)c1-c1cccnc1 ZINC000685952062 541497333 /nfs/dbraw/zinc/49/73/33/541497333.db2.gz RNHZWRUBHNYVAW-SNVBAGLBSA-N 1 0 215.260 0.875 10 0 BCAERO Cc1coc(-c2cnnn2[C@@H]2CC[NH2+]C2)n1 ZINC000685952007 541497463 /nfs/dbraw/zinc/49/74/63/541497463.db2.gz OPTFWEYHNHWQKH-MRVPVSSYSA-N 1 0 219.248 0.776 10 0 BCAERO CCOC(=O)[C@@H]1Cn2cc[nH+]c2N[C@@H]1C ZINC000233991735 541511079 /nfs/dbraw/zinc/51/10/79/541511079.db2.gz JQEJCGQRXBBXDH-HTQZYQBOSA-N 1 0 209.249 0.876 10 0 BCAERO CC(C)[N@H+](C)C[C@H](O)CN1C[C@@H](C)O[C@H](C)C1 ZINC000383661183 541514491 /nfs/dbraw/zinc/51/44/91/541514491.db2.gz GISVAJXESHBNRJ-UPJWGTAASA-N 1 0 244.379 0.797 10 0 BCAERO CC(C)c1nc2n(n1)[C@H]1CC[NH2+]C[C@H]1CN2 ZINC000232795914 541507890 /nfs/dbraw/zinc/50/78/90/541507890.db2.gz XDZWVFDRFOHXKW-IUCAKERBSA-N 1 0 221.308 0.978 10 0 BCAERO CC(C)c1nc2n(n1)[C@@H]1CC[NH2+]C[C@H]1CN2 ZINC000232795955 541507913 /nfs/dbraw/zinc/50/79/13/541507913.db2.gz XDZWVFDRFOHXKW-DTWKUNHWSA-N 1 0 221.308 0.978 10 0 BCAERO [NH3+]CCCOc1cc(CO)cc(CO)c1 ZINC000116981923 370860365 /nfs/dbraw/zinc/86/03/65/370860365.db2.gz SWECNSWVZPFOAW-UHFFFAOYSA-N 1 0 211.261 0.399 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCO[C@@H](C)[C@H]1C ZINC000380504145 367225916 /nfs/dbraw/zinc/22/59/16/367225916.db2.gz HXDIOSNOVAMSJM-CHWFTXMASA-N 1 0 226.320 0.478 10 0 BCAERO C[C@@H]1[C@H](C)OCCN1C(=O)[C@]1(C)CCC[NH2+]1 ZINC000380536512 367231596 /nfs/dbraw/zinc/23/15/96/367231596.db2.gz OXKOUBJMAMFALA-SCVCMEIPSA-N 1 0 226.320 0.764 10 0 BCAERO C[C@H]1OCCN(C(=O)C2([NH3+])CCOCC2)[C@@H]1C ZINC000380557997 367243210 /nfs/dbraw/zinc/24/32/10/367243210.db2.gz JRONMFNHPWCTTK-NXEZZACHSA-N 1 0 242.319 0.130 10 0 BCAERO C[C@H]([NH3+])[C@H](C)Nc1ccc(C(=O)N(C)C)cn1 ZINC000381342578 367384432 /nfs/dbraw/zinc/38/44/32/367384432.db2.gz FPYVIPPZAHILJK-IUCAKERBSA-N 1 0 236.319 0.931 10 0 BCAERO C[C@@H]([NH3+])[C@@H](C)Nc1nnnn1-c1ccccc1 ZINC000381414668 367397749 /nfs/dbraw/zinc/39/77/49/367397749.db2.gz YSSXGVUNGYTYAX-RKDXNWHRSA-N 1 0 232.291 0.232 10 0 BCAERO CNC(=O)C1CCC([NH2+]CC(C)(C)O)CC1 ZINC000381448207 367406039 /nfs/dbraw/zinc/40/60/39/367406039.db2.gz GLVBDFGSXZVRPO-UHFFFAOYSA-N 1 0 228.336 0.652 10 0 BCAERO O=S1(=O)CC[C@@H]([NH2+][C@@H]2CCC[C@H]3C[C@H]32)C1 ZINC000382172734 367493318 /nfs/dbraw/zinc/49/33/18/367493318.db2.gz WZFIGKQNYSXJCK-LNFKQOIKSA-N 1 0 229.345 0.952 10 0 BCAERO [NH3+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCCO2)C1 ZINC000382486650 367529298 /nfs/dbraw/zinc/52/92/98/367529298.db2.gz GXIHCABRDNZBMN-GUBZILKMSA-N 1 0 212.293 0.409 10 0 BCAERO [NH3+]C[C@H]1CC[C@@H](Nc2ccc3nccnc3n2)C1 ZINC000382474849 367529613 /nfs/dbraw/zinc/52/96/13/367529613.db2.gz SBODRTBHKDPZCF-VHSXEESVSA-N 1 0 243.314 0.938 10 0 BCAERO CC[N@H+](C)C[C@H](O)CN1C[C@@H]2CCC[C@@H]21 ZINC000581555894 367587498 /nfs/dbraw/zinc/58/74/98/367587498.db2.gz AOIRLPBHJNTGAL-SRVKXCTJSA-N 1 0 212.337 0.783 10 0 BCAERO CC(C)[C@H](C)NC(=O)C[N@@H+]1CCC[C@H](O)[C@H]1C ZINC000384916470 367755701 /nfs/dbraw/zinc/75/57/01/367755701.db2.gz QNNRBNCLVACADC-TUAOUCFPSA-N 1 0 242.363 0.992 10 0 BCAERO C[C@H](O)CCC[N@@H+]1CCC[C@@H](O)[C@@H]1C ZINC000384977265 367768348 /nfs/dbraw/zinc/76/83/48/367768348.db2.gz YSPRTKOLLKKXQN-GARJFASQSA-N 1 0 201.310 0.993 10 0 BCAERO COc1ccnc(N2C[C@@H]([NH3+])C[C@H]2C)n1 ZINC000385211405 367809385 /nfs/dbraw/zinc/80/93/85/367809385.db2.gz XEQNMQKJMNXPRT-SFYZADRCSA-N 1 0 208.265 0.411 10 0 BCAERO CC(C)NC(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000087638889 367944612 /nfs/dbraw/zinc/94/46/12/367944612.db2.gz ZNMXVGHQBVAXTO-UHFFFAOYSA-N 1 0 213.325 0.195 10 0 BCAERO CC(C)(C(=O)N1CCCC1)N1CC[NH2+]CC1 ZINC000087638885 367944743 /nfs/dbraw/zinc/94/47/43/367944743.db2.gz FDQDGXBIYXHFGD-UHFFFAOYSA-N 1 0 225.336 0.293 10 0 BCAERO CC(C)N(C)C(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000087638900 367946943 /nfs/dbraw/zinc/94/69/43/367946943.db2.gz DLRQKGHUCTUIFC-UHFFFAOYSA-N 1 0 227.352 0.537 10 0 BCAERO C[C@H](NC[C@H]1CN(C)CCO1)[C@H]1CCCC[NH2+]1 ZINC000386492980 367981493 /nfs/dbraw/zinc/98/14/93/367981493.db2.gz URLAFSQEUDZZST-RWMBFGLXSA-N 1 0 241.379 0.437 10 0 BCAERO COCC(=O)N[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000252965876 368172175 /nfs/dbraw/zinc/17/21/75/368172175.db2.gz SCQNDMNRUDJRRY-RKDXNWHRSA-N 1 0 200.282 0.089 10 0 BCAERO CC[NH2+][C@H](C)CNc1ccnc(C(N)=O)c1 ZINC000387432030 368180112 /nfs/dbraw/zinc/18/01/12/368180112.db2.gz INRBZZUYBXIZJB-MRVPVSSYSA-N 1 0 222.292 0.012 10 0 BCAERO C[C@H](C(N)=O)[N@@H+]1CCS[C@@H](C)[C@H]1C ZINC000253064252 368444693 /nfs/dbraw/zinc/44/46/93/368444693.db2.gz HJCBUCZEQDFKAF-PRJMDXOYSA-N 1 0 202.323 0.686 10 0 BCAERO C[C@@H]1COC[C@H](CC(=O)[C@H]2CCOC2)[NH2+]1 ZINC000253172251 368591407 /nfs/dbraw/zinc/59/14/07/368591407.db2.gz JVHHWUMDQHHYPP-UTLUCORTSA-N 1 0 213.277 0.359 10 0 BCAERO C[C@H](C(N)=O)[N@@H+]1CCCCC[C@H]1CO ZINC000253176168 368593528 /nfs/dbraw/zinc/59/35/28/368593528.db2.gz PFNYEUYAEWOADP-BDAKNGLRSA-N 1 0 200.282 0.097 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1nncs1 ZINC000082558976 368693220 /nfs/dbraw/zinc/69/32/20/368693220.db2.gz VTIGEXZUWSBXJT-PHDIDXHHSA-N 1 0 212.278 0.332 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)NCCC(F)(F)F ZINC000082560154 368693840 /nfs/dbraw/zinc/69/38/40/368693840.db2.gz IGUKNQGCCHSERS-RNFRBKRXSA-N 1 0 224.226 0.911 10 0 BCAERO Cc1cc(NC(=O)[C@@H]2C[NH2+]C[C@H]2C)n[nH]1 ZINC000082619232 368699795 /nfs/dbraw/zinc/69/97/95/368699795.db2.gz RMDQXLXHPUBOKN-HTRCEHHLSA-N 1 0 208.265 0.512 10 0 BCAERO CS[C@H]1CCC[C@H]1NC(=O)[C@@H](C)[NH3+] ZINC000225494175 370915582 /nfs/dbraw/zinc/91/55/82/370915582.db2.gz UAHMGAOXHBAYMX-PRJMDXOYSA-N 1 0 202.323 0.734 10 0 BCAERO [NH3+][C@H]1CC[C@H](C(=O)NCCn2cccn2)C1 ZINC000085012106 368861046 /nfs/dbraw/zinc/86/10/46/368861046.db2.gz ODLYGOXPCKOXOT-UWVGGRQHSA-N 1 0 222.292 0.127 10 0 BCAERO c1cnc(N2CC[NH2+]CC2)c(N2CCCCC2)n1 ZINC000113169018 368885295 /nfs/dbraw/zinc/88/52/95/368885295.db2.gz PPHAJCDXIAOEJG-UHFFFAOYSA-N 1 0 247.346 0.877 10 0 BCAERO c1cnc2nc(N[C@H]3CC[NH2+]C3)ccc2n1 ZINC000087201107 368890490 /nfs/dbraw/zinc/89/04/90/368890490.db2.gz VPYRPOCENQLJIG-QMMMGPOBSA-N 1 0 215.260 0.799 10 0 BCAERO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)c1nnc[nH]1 ZINC000084213174 368850149 /nfs/dbraw/zinc/85/01/49/368850149.db2.gz KUVFOGRMCZGMBV-HTQZYQBOSA-N 1 0 223.280 0.052 10 0 BCAERO Cn1nnnc1N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000084213495 368850731 /nfs/dbraw/zinc/85/07/31/368850731.db2.gz LGGXORXLJKXOJK-SFYZADRCSA-N 1 0 210.285 0.140 10 0 BCAERO CCOC(=O)[C@@H]1C[NH2+]C[C@@]12CCO[C@H]2C ZINC000253313810 368927651 /nfs/dbraw/zinc/92/76/51/368927651.db2.gz XEKMINNZPMEXOO-ATZCPNFKSA-N 1 0 213.277 0.564 10 0 BCAERO [NH3+][C@@H]1Cc2ccc(N3CCOCC3)cc2C1 ZINC000115634137 368946072 /nfs/dbraw/zinc/94/60/72/368946072.db2.gz WTMRKDIQTRMJDG-GFCCVEGCSA-N 1 0 218.300 0.949 10 0 BCAERO [NH3+]CCC(=O)Nc1ccnc(Cl)n1 ZINC000161425483 368983198 /nfs/dbraw/zinc/98/31/98/368983198.db2.gz XFMLLJLLDOFPCJ-UHFFFAOYSA-N 1 0 200.629 0.417 10 0 BCAERO C[N@@H+]1CCc2nc(OC3CC[NH2+]CC3)ncc2C1 ZINC000114975554 368964600 /nfs/dbraw/zinc/96/46/00/368964600.db2.gz IPYSSEMRSIPIOL-UHFFFAOYSA-N 1 0 248.330 0.595 10 0 BCAERO Cc1ccncc1C[NH2+][C@@H]1CCOC[C@@H]1O ZINC000623766659 369030721 /nfs/dbraw/zinc/03/07/21/369030721.db2.gz JWQMBQLPGKGVOH-NEPJUHHUSA-N 1 0 222.288 0.629 10 0 BCAERO COC(=O)c1ccc(N)cc1N1CC[NH+](C)CC1 ZINC000616216825 369063190 /nfs/dbraw/zinc/06/31/90/369063190.db2.gz GYKDGPFCTRDUJV-UHFFFAOYSA-N 1 0 249.314 0.807 10 0 BCAERO [NH3+]C[C@@]1(CC2CCOCC2)CCS(=O)(=O)C1 ZINC000054635173 181440386 /nfs/dbraw/zinc/44/03/86/181440386.db2.gz KVCKPUIJFUGBDA-NSHDSACASA-N 1 0 247.360 0.567 10 0 BCAERO CC1N=NC(=S)N1CC[NH+]1CCCC1 ZINC000054129179 369058317 /nfs/dbraw/zinc/05/83/17/369058317.db2.gz VVWHTJDOUZQXNV-UHFFFAOYSA-N 1 0 212.322 0.971 10 0 BCAERO CS(=O)(=O)N1C[C@@H](C[NH3+])Nc2ccccc21 ZINC000616693408 369115482 /nfs/dbraw/zinc/11/54/82/369115482.db2.gz PRQIYBXAAGXVFR-MRVPVSSYSA-N 1 0 241.316 0.205 10 0 BCAERO C[C@@]1(C(=O)N2CC[C@H]([NH3+])C2)CCCS1 ZINC000130872722 369122816 /nfs/dbraw/zinc/12/28/16/369122816.db2.gz DINUPDINRIKJLG-WPRPVWTQSA-N 1 0 214.334 0.832 10 0 BCAERO [NH3+]C[C@H](c1cccc(F)c1)n1cncn1 ZINC000042973131 181454516 /nfs/dbraw/zinc/45/45/16/181454516.db2.gz DDWNFNGFSJQEGC-SNVBAGLBSA-N 1 0 206.224 0.965 10 0 BCAERO [NH3+]C[C@H](O)Cc1ccc(F)c(F)c1F ZINC000071509227 181450449 /nfs/dbraw/zinc/45/04/49/181450449.db2.gz ZBSHRHHJSWDDCD-ZCFIWIBFSA-N 1 0 205.179 0.966 10 0 BCAERO COC(=O)[C@@H]1CN(CC[NH3+])c2ccccc2N1 ZINC000616691493 369113516 /nfs/dbraw/zinc/11/35/16/369113516.db2.gz BWUPYTRFASNSEM-JTQLQIEISA-N 1 0 235.287 0.419 10 0 BCAERO [NH3+]C[C@H]1CN(CCc2ccccn2)CCO1 ZINC000041059111 181466905 /nfs/dbraw/zinc/46/69/05/181466905.db2.gz AGVKMRNMDLPSGS-LBPRGKRZSA-N 1 0 221.304 0.284 10 0 BCAERO [NH3+]C[C@H]1CCN(C(=O)N2CCCCC2)C1 ZINC000082641704 181463362 /nfs/dbraw/zinc/46/33/62/181463362.db2.gz KINFHTOBNVKEPB-SNVBAGLBSA-N 1 0 211.309 0.873 10 0 BCAERO CCN1CCO[C@H](CNc2ncccn2)C1 ZINC000123039931 369214826 /nfs/dbraw/zinc/21/48/26/369214826.db2.gz LWTYKFFTYHQIMB-SNVBAGLBSA-N 1 0 222.292 0.609 10 0 BCAERO Cc1nc(C[NH2+][C@@H]2CCOC[C@@H]2O)[nH]c1C ZINC000623767361 369389771 /nfs/dbraw/zinc/38/97/71/369389771.db2.gz UPOMPPXUSPUOEB-ZJUUUORDSA-N 1 0 225.292 0.266 10 0 BCAERO CSC[C@@H]1CCCN1C(=O)[C@H]1CC[NH2+]C1 ZINC000400013259 369340386 /nfs/dbraw/zinc/34/03/86/369340386.db2.gz XQQIPRRHTBHMLU-UWVGGRQHSA-N 1 0 228.361 0.950 10 0 BCAERO CCCNC(=O)CN1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631843859 369376577 /nfs/dbraw/zinc/37/65/77/369376577.db2.gz SKLNEPIUVDZIPH-UWVGGRQHSA-N 1 0 213.325 0.039 10 0 BCAERO CC(C)OCC(=O)N1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC000404023056 369417204 /nfs/dbraw/zinc/41/72/04/369417204.db2.gz UISRRXQZKROQBR-QWRGUYRKSA-N 1 0 242.319 0.001 10 0 BCAERO c1csc(CN2CC[C@H]3OCC[NH2+][C@H]3C2)n1 ZINC000404200721 369422722 /nfs/dbraw/zinc/42/27/22/369422722.db2.gz PLCMOVGIHRWDQU-VHSXEESVSA-N 1 0 239.344 0.706 10 0 BCAERO CCn1c(C)nnc1CN1C[C@@H]([NH3+])C[C@H]1C ZINC000631860412 369468393 /nfs/dbraw/zinc/46/83/93/369468393.db2.gz KDHBHVPBAUFDPI-SCZZXKLOSA-N 1 0 223.324 0.528 10 0 BCAERO Cc1ccc(CN2CC[C@@H]3OCC[NH2+][C@H]3C2)cn1 ZINC000405736197 369474670 /nfs/dbraw/zinc/47/46/70/369474670.db2.gz YREXMIWTFVWEPH-KBPBESRZSA-N 1 0 247.342 0.953 10 0 BCAERO [NH3+]Cc1ccc(OC[C@H](O)Cn2cccn2)cc1 ZINC000035727592 181485484 /nfs/dbraw/zinc/48/54/84/181485484.db2.gz CXKRCIUVLPHTGQ-GFCCVEGCSA-N 1 0 247.298 0.782 10 0 BCAERO [NH3+]CCNC(=O)OCCOCc1ccccc1 ZINC000306419820 369895822 /nfs/dbraw/zinc/89/58/22/369895822.db2.gz WDZYMLDBJBOIKP-UHFFFAOYSA-N 1 0 238.287 0.888 10 0 BCAERO C[C@H]1CN(Cc2cnc(N)s2)C[C@@H]1[NH3+] ZINC000307308021 369999493 /nfs/dbraw/zinc/99/94/93/369999493.db2.gz ZTHHTIFWNWJSRE-XPUUQOCRSA-N 1 0 212.322 0.504 10 0 BCAERO NC(=O)CCCNC(=[NH2+])NCc1ccccc1 ZINC000066245493 370091329 /nfs/dbraw/zinc/09/13/29/370091329.db2.gz MODRFTPDNJLEQF-UHFFFAOYSA-N 1 0 234.303 0.566 10 0 BCAERO COCC[N@H+](C)CCCNC(=O)N[C@H]1C[C@@H]1C ZINC000076074249 370210721 /nfs/dbraw/zinc/21/07/21/370210721.db2.gz ABEBFKAWUCGWJA-QWRGUYRKSA-N 1 0 243.351 0.662 10 0 BCAERO CC[C@H](NC(=O)[C@H]1CCC[C@@H]1C[NH3+])C(=O)OC ZINC000310086004 370297290 /nfs/dbraw/zinc/29/72/90/370297290.db2.gz AQGHJDYWUZUEGO-UTLUCORTSA-N 1 0 242.319 0.429 10 0 BCAERO COC(=O)C(C)(C)CNC(=O)C[C@H]([NH3+])C(C)C ZINC000310145232 370308152 /nfs/dbraw/zinc/30/81/52/370308152.db2.gz FHINKNZSUXTZDV-VIFPVBQESA-N 1 0 244.335 0.675 10 0 BCAERO C[C@H]1CC[N@@H+]([C@@H]2CCC[C@H]2O)C[C@@H]1CO ZINC000621373212 370310822 /nfs/dbraw/zinc/31/08/22/370310822.db2.gz FAQBAKIZAWMEAV-IRCOFANPSA-N 1 0 213.321 0.850 10 0 BCAERO COC(=O)c1cnc(C2=CC[NH2+]CC2)cn1 ZINC000113031933 370373253 /nfs/dbraw/zinc/37/32/53/370373253.db2.gz MPKSIYWLCLUIFR-UHFFFAOYSA-N 1 0 219.244 0.640 10 0 BCAERO COC[C@H]([NH3+])C(=O)NCC[C@H]1CC1(F)F ZINC000621671590 370423102 /nfs/dbraw/zinc/42/31/02/370423102.db2.gz YJDXRRRERHACMW-BQBZGAKWSA-N 1 0 222.235 0.122 10 0 BCAERO C[NH2+][C@H](C)C(=O)NCC[C@H]1CC1(F)F ZINC000621670833 370419116 /nfs/dbraw/zinc/41/91/16/370419116.db2.gz ZYFVHFPOLWZMFO-RQJHMYQMSA-N 1 0 206.236 0.756 10 0 BCAERO C[NH2+][C@H](C)C(=O)NCC[C@@H]1CC1(F)F ZINC000621670832 370419164 /nfs/dbraw/zinc/41/91/64/370419164.db2.gz ZYFVHFPOLWZMFO-RNFRBKRXSA-N 1 0 206.236 0.756 10 0 BCAERO Cc1nccnc1C[N@@H+]1CC[C@@H](CCO)C1 ZINC000621716913 370464279 /nfs/dbraw/zinc/46/42/79/370464279.db2.gz QEMIQHJTMJABRL-NSHDSACASA-N 1 0 221.304 0.989 10 0 BCAERO Cn1cnc(CC[NH2+][C@@H]2CCCC[C@H]2O)c1 ZINC000313254378 370574393 /nfs/dbraw/zinc/57/43/93/370574393.db2.gz SGKMXFTXMMYMKU-VXGBXAGGSA-N 1 0 223.320 0.856 10 0 BCAERO O=C1Cc2c(cccc2N2CC[NH2+]CC2)N1 ZINC000082975746 371053668 /nfs/dbraw/zinc/05/36/68/371053668.db2.gz NFPAOQJREYSSLN-UHFFFAOYSA-N 1 0 217.272 0.591 10 0 BCAERO CC(C)n1nccc1C[NH2+][C@H]1CCOC[C@@H]1O ZINC000623766300 371086104 /nfs/dbraw/zinc/08/61/04/371086104.db2.gz DDQGMGKCHHSNPR-RYUDHWBXSA-N 1 0 239.319 0.703 10 0 BCAERO CCC(=O)NC[C@@H]1CN(CC)CCO1 ZINC000123891911 371121416 /nfs/dbraw/zinc/12/14/16/371121416.db2.gz FGXPTAOVIOOAKV-SECBINFHSA-N 1 0 200.282 0.233 10 0 BCAERO [NH3+][C@@H](CCC[NH2+]Cc1ccccc1)C(=O)[O-] ZINC000006575046 181543275 /nfs/dbraw/zinc/54/32/75/181543275.db2.gz VAWTXRIBGODTRO-NSHDSACASA-N 1 0 222.288 0.968 10 0 BCAERO [NH3+][C@@H]1CCCCC[C@H]1NC(=O)c1ccc(=O)[nH]c1 ZINC000063211728 181573408 /nfs/dbraw/zinc/57/34/08/181573408.db2.gz AEFHSRJZBYMCKU-GHMZBOCLSA-N 1 0 249.314 0.765 10 0 BCAERO [NH3+][C@@H]1CCC[C@H]1C(=O)NCCOCC1CC1 ZINC000226325819 181584646 /nfs/dbraw/zinc/58/46/46/181584646.db2.gz XTJHEDDQPOBWQC-GHMZBOCLSA-N 1 0 226.320 0.657 10 0 BCAERO [NH3+][C@@H]1CC[C@H](C(=O)N[C@@H]2CCCOC2)C1 ZINC000227804650 181593355 /nfs/dbraw/zinc/59/33/55/181593355.db2.gz CGUTVEJLQRSJRD-IVZWLZJFSA-N 1 0 212.293 0.409 10 0 BCAERO [NH3+][C@H](Cc1ccccn1)[C@H]1COCCO1 ZINC000055302422 181627013 /nfs/dbraw/zinc/62/70/13/181627013.db2.gz KEQIBBIAQSWVGY-GHMZBOCLSA-N 1 0 208.261 0.367 10 0 BCAERO [NH3+][C@H](c1ccc2[nH]c(=O)c(=O)[nH]c2c1)C1CC1 ZINC000019842490 181631488 /nfs/dbraw/zinc/63/14/88/181631488.db2.gz PEBGNSCTYUXEKC-JTQLQIEISA-N 1 0 231.255 0.626 10 0 BCAERO [NH3+][C@H]1CCCCC[C@@H]1N1CCS(=O)CC1 ZINC000049692326 181640366 /nfs/dbraw/zinc/64/03/66/181640366.db2.gz QIDOARQQUSNILO-QWRGUYRKSA-N 1 0 230.377 0.711 10 0 BCAERO [NH3+][C@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCO1 ZINC000038048947 181642797 /nfs/dbraw/zinc/64/27/97/181642797.db2.gz ONWGWKFUNMMXFJ-AEJSXWLSSA-N 1 0 212.293 0.552 10 0 BCAERO Cn1cccc1C(=O)N1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC000248147763 259547083 /nfs/dbraw/zinc/54/70/83/259547083.db2.gz SLXRTONYDBZUMK-VHSXEESVSA-N 1 0 219.288 0.459 10 0 BCAERO CCc1nnc(CN2C[C@@H]3C[NH2+]C[C@H]3C2)n1C ZINC000624190694 371378846 /nfs/dbraw/zinc/37/88/46/371378846.db2.gz SPYNWBVUGORMMJ-UWVGGRQHSA-N 1 0 235.335 0.029 10 0 BCAERO COC[C@H]([NH2+][C@H]1CCOC[C@H]1O)C1CC1 ZINC000624236481 371423633 /nfs/dbraw/zinc/42/36/33/371423633.db2.gz DEJJXALGJXYPSJ-GARJFASQSA-N 1 0 215.293 0.151 10 0 BCAERO O[C@H]1COCC[C@H]1[NH2+]C1CCSCC1 ZINC000624235873 371423719 /nfs/dbraw/zinc/42/37/19/371423719.db2.gz RDYALOUAKVTQPP-ZJUUUORDSA-N 1 0 217.334 0.621 10 0 BCAERO CC[C@H](COC)[NH2+][C@H]1CCOC[C@H]1O ZINC000624237471 371424744 /nfs/dbraw/zinc/42/47/44/371424744.db2.gz YKBNOESQBVAJKP-KXUCPTDWSA-N 1 0 203.282 0.151 10 0 BCAERO C[C@H]([NH2+][C@H]1CCOC[C@H]1O)c1ccnn1C ZINC000624237924 371426275 /nfs/dbraw/zinc/42/62/75/371426275.db2.gz HGMFIACMFUNTJG-ATZCPNFKSA-N 1 0 225.292 0.221 10 0 BCAERO CCOC1CC([NH2+][C@H]2CCOC[C@H]2O)C1 ZINC000624238027 371426412 /nfs/dbraw/zinc/42/64/12/371426412.db2.gz ITYOIMSBJYEYRU-WFBLGPOFSA-N 1 0 215.293 0.293 10 0 BCAERO C[C@H]([NH2+][C@@H]1CCOC[C@@H]1O)[C@H]1CCCCO1 ZINC000624239951 371429114 /nfs/dbraw/zinc/42/91/14/371429114.db2.gz XWUYDZCTSMPFFA-WHOHXGKFSA-N 1 0 229.320 0.683 10 0 BCAERO COc1cncc(C(=O)[C@H]2CC[NH2+]C2)c1 ZINC000226330005 371644537 /nfs/dbraw/zinc/64/45/37/371644537.db2.gz UQOOGCDYMZQHMN-QMMMGPOBSA-N 1 0 206.245 0.882 10 0 BCAERO COc1cncc(C(=O)[C@@H]2CC[NH2+]C2)c1 ZINC000226329998 371647639 /nfs/dbraw/zinc/64/76/39/371647639.db2.gz UQOOGCDYMZQHMN-MRVPVSSYSA-N 1 0 206.245 0.882 10 0 BCAERO [NH3+][C@@H]1COC[C@H]1C(=O)Cc1ccccn1 ZINC000226614026 371706200 /nfs/dbraw/zinc/70/62/00/371706200.db2.gz VLDJRLDEXVJGHJ-NXEZZACHSA-N 1 0 206.245 0.167 10 0 BCAERO CN1CCN(CC(F)(F)F)[C@@H](C[NH3+])C1 ZINC000226627908 371709926 /nfs/dbraw/zinc/70/99/26/371709926.db2.gz CLRVFZOHOQGFFB-ZETCQYMHSA-N 1 0 211.231 0.123 10 0 BCAERO CS(=O)(=O)N1CCCCC[C@H]1CC[NH3+] ZINC000216223124 371723014 /nfs/dbraw/zinc/72/30/14/371723014.db2.gz GPFILXPNVMNYRY-VIFPVBQESA-N 1 0 220.338 0.539 10 0 BCAERO Cc1csc(C[NH3+])c1S(N)(=O)=O ZINC000226516332 371686971 /nfs/dbraw/zinc/68/69/71/371686971.db2.gz ONSMRJSGMPXJOL-UHFFFAOYSA-N 1 0 206.292 0.163 10 0 BCAERO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)[C@H]1CCCO1 ZINC000166397720 326432501 /nfs/dbraw/zinc/43/25/01/326432501.db2.gz VUUKJFJJJUJBCM-LPEHRKFASA-N 1 0 212.293 0.361 10 0 BCAERO Nc1ncccc1C(=O)C1=CC[C@H]([NH3+])C1 ZINC000226567305 371698813 /nfs/dbraw/zinc/69/88/13/371698813.db2.gz ZRICASOATZQTRR-SFYZADRCSA-N 1 0 203.245 0.750 10 0 BCAERO C[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1S(C)(=O)=O ZINC000226803273 371746266 /nfs/dbraw/zinc/74/62/66/371746266.db2.gz ALKXFSGBFXNYPM-HLTSFMKQSA-N 1 0 205.323 0.808 10 0 BCAERO C[C@H](C[NH3+])C(=O)N[C@H]1CCC[C@@H](O)C1 ZINC000227132366 371791630 /nfs/dbraw/zinc/79/16/30/371791630.db2.gz RBXWNXGEWGOTHO-HRDYMLBCSA-N 1 0 200.282 0.001 10 0 BCAERO CCC[C@H](O)[C@@H]1CN(C)CCC[N@@H+]1C ZINC000132278498 371783871 /nfs/dbraw/zinc/78/38/71/371783871.db2.gz POLJTSHNDHCPAE-QWRGUYRKSA-N 1 0 200.326 0.783 10 0 BCAERO C[C@H](O)CNC(=O)[C@H]1CCCC[C@H]1[NH3+] ZINC000227319459 371831791 /nfs/dbraw/zinc/83/17/91/371831791.db2.gz FKPGJUNFZMTXHO-XHNCKOQMSA-N 1 0 200.282 0.001 10 0 BCAERO C[C@H](O)CNC(=O)[C@@H]1CCCC[C@H]1[NH3+] ZINC000227319455 371832377 /nfs/dbraw/zinc/83/23/77/371832377.db2.gz FKPGJUNFZMTXHO-DJLDLDEBSA-N 1 0 200.282 0.001 10 0 BCAERO C[C@H]1CCC[N@H+](C[C@@](C)(N)C(N)=O)CC1 ZINC000216834532 371823267 /nfs/dbraw/zinc/82/32/67/371823267.db2.gz WTLHGETXRBFSKN-GXSJLCMTSA-N 1 0 213.325 0.311 10 0 BCAERO C[C@@H]([NH3+])C(=O)NCC1CCC(O)CC1 ZINC000227801406 371941532 /nfs/dbraw/zinc/94/15/32/371941532.db2.gz FZCHANCQUPSTLD-AFPNSQJFSA-N 1 0 200.282 0.001 10 0 BCAERO C[C@@H](CN)[NH2+]C1CC(NC(=O)OC(C)(C)C)C1 ZINC000227581039 371900036 /nfs/dbraw/zinc/90/00/36/371900036.db2.gz CPDSNCBDVQCWMQ-IDKOKCKLSA-N 1 0 243.351 0.979 10 0 BCAERO CC[C@H](C(=O)[O-])[N@H+]1C[C@H]([NH3+])C[C@H](C)C1 ZINC000227687444 371922258 /nfs/dbraw/zinc/92/22/58/371922258.db2.gz FXJZXLPPFFNYQR-DJLDLDEBSA-N 1 0 200.282 0.519 10 0 BCAERO C[C@H]([NH3+])[C@H]1CN(C(=O)C(F)(F)F)CCO1 ZINC000133027322 371974046 /nfs/dbraw/zinc/97/40/46/371974046.db2.gz IOLRABWUHALLBI-NTSWFWBYSA-N 1 0 226.198 0.123 10 0 BCAERO C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(F)(F)F)CCO1 ZINC000133027103 371974353 /nfs/dbraw/zinc/97/43/53/371974353.db2.gz IOLRABWUHALLBI-RITPCOANSA-N 1 0 226.198 0.123 10 0 BCAERO CSCc1noc([C@@H]2C[C@@H](O)C[NH2+]2)n1 ZINC000163674083 372029292 /nfs/dbraw/zinc/02/92/92/372029292.db2.gz HYNHBSJUGGWZEI-RITPCOANSA-N 1 0 215.278 0.328 10 0 BCAERO Cc1nnc([C@](C)(C[NH3+])[C@@H](C)O)s1 ZINC000306537238 372031746 /nfs/dbraw/zinc/03/17/46/372031746.db2.gz RCLSPRJVUMXTQP-SVGQVSJJSA-N 1 0 201.295 0.444 10 0 BCAERO [NH3+][C@H]1CCCN(C[C@H]2CCSC2)C1=O ZINC000228613875 372055820 /nfs/dbraw/zinc/05/58/20/372055820.db2.gz PGVUIEHTOUFUEF-BDAKNGLRSA-N 1 0 214.334 0.689 10 0 BCAERO CC[C@@H]([NH3+])C(=O)N1CCCOC[C@@H]1C ZINC000306691748 372056402 /nfs/dbraw/zinc/05/64/02/372056402.db2.gz QNYFVIDONUMTRT-DTWKUNHWSA-N 1 0 200.282 0.361 10 0 BCAERO C[C@@]1(C[NH3+])CCN(C(=O)C(F)(F)F)C1 ZINC000306348392 372011878 /nfs/dbraw/zinc/01/18/78/372011878.db2.gz HFBIBJFGAHAZJO-ZETCQYMHSA-N 1 0 210.199 0.746 10 0 BCAERO O=C(NC[C@H]1CCCC[NH2+]C1)C(F)F ZINC000307264357 372105690 /nfs/dbraw/zinc/10/56/90/372105690.db2.gz AWWGNJYXXNHOOP-ZETCQYMHSA-N 1 0 206.236 0.757 10 0 BCAERO C[C@H](C[S@@](C)=O)NC1=[NH+]CCCS1 ZINC000229020146 372107739 /nfs/dbraw/zinc/10/77/39/372107739.db2.gz UAXAWLOSUHKYFQ-FUXBKTLASA-N 1 0 220.363 0.836 10 0 BCAERO NC(=O)[C@@H](N)C[N@@H+]1CCC2(CCCC2)C1 ZINC000307642246 372134815 /nfs/dbraw/zinc/13/48/15/372134815.db2.gz JLXBVZVGSDXNGG-VIFPVBQESA-N 1 0 211.309 0.065 10 0 BCAERO C[C@@H](CNc1cccnc1N)[S@@](C)=O ZINC000229715643 372185262 /nfs/dbraw/zinc/18/52/62/372185262.db2.gz DIOLVXCTVXTCMK-JKYUHCHBSA-N 1 0 213.306 0.843 10 0 BCAERO CCCn1ncnc1CN1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631838055 372630875 /nfs/dbraw/zinc/63/08/75/372630875.db2.gz ZGOSFKPLWIZMAK-MNOVXSKESA-N 1 0 237.351 0.715 10 0 BCAERO CCC(C)(C)NC(=O)CN1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631844071 372643332 /nfs/dbraw/zinc/64/33/32/372643332.db2.gz UZLFMOHHDPLJNG-QWRGUYRKSA-N 1 0 241.379 0.818 10 0 BCAERO CCN(CC)S(=O)(=O)N1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631968330 372706601 /nfs/dbraw/zinc/70/66/01/372706601.db2.gz UBBIUSYTSUYUFE-ZJUUUORDSA-N 1 0 249.380 0.100 10 0 BCAERO O=C(CN1CCC[NH2+]CC1)c1ccccn1 ZINC000095077805 181961050 /nfs/dbraw/zinc/96/10/50/181961050.db2.gz DVUHTWVXEOLJEP-UHFFFAOYSA-N 1 0 219.288 0.560 10 0 BCAERO O=C(CNC[C@@H]1CCC[NH2+]1)c1cnccn1 ZINC000095072787 181978144 /nfs/dbraw/zinc/97/81/44/181978144.db2.gz QORCUFPMTWGEOA-VIFPVBQESA-N 1 0 220.276 0.001 10 0 BCAERO O=C(C[C@@H]1CCCC[NH2+]1)NC1CCOCC1 ZINC000036319916 182016746 /nfs/dbraw/zinc/01/67/46/182016746.db2.gz DDXSCFSNKAEMAE-NSHDSACASA-N 1 0 226.320 0.814 10 0 BCAERO O=C(CSCc1ccco1)N1CC[NH2+]CC1 ZINC000043402999 182008755 /nfs/dbraw/zinc/00/87/55/182008755.db2.gz PCCRFZZZWPPUGM-UHFFFAOYSA-N 1 0 240.328 0.945 10 0 BCAERO O=C(C[C@@H]1CCC[NH2+]C1)Nc1cnccn1 ZINC000054306242 182018711 /nfs/dbraw/zinc/01/87/11/182018711.db2.gz LOXHNHBGJLRQCF-VIFPVBQESA-N 1 0 220.276 0.805 10 0 BCAERO O=C(C[C@@H]1CCC[NH2+]C1)N1CCC[C@@H]1CO ZINC000054291182 182019159 /nfs/dbraw/zinc/01/91/59/182019159.db2.gz CZEHHJSNCHGDRE-WDEREUQCSA-N 1 0 226.320 0.359 10 0 BCAERO O=C(C[C@@H]1CCCC[NH2+]1)NC[C@H]1CCCO1 ZINC000020597359 182017109 /nfs/dbraw/zinc/01/71/09/182017109.db2.gz LTOIKCONNYSVJJ-WDEREUQCSA-N 1 0 226.320 0.814 10 0 BCAERO O=C(C[C@H]1CCC[NH2+]1)N1CCC[C@H]1CO ZINC000042434972 182026800 /nfs/dbraw/zinc/02/68/00/182026800.db2.gz LXZDYCVREVGINM-ZJUUUORDSA-N 1 0 212.293 0.112 10 0 BCAERO O=C(C[C@H]1CCC[NH2+]1)NC1CCC(O)CC1 ZINC000042165358 182027063 /nfs/dbraw/zinc/02/70/63/182027063.db2.gz VOXGVABZUYHIGP-HSOILSAZSA-N 1 0 226.320 0.548 10 0 BCAERO O=C(C[C@H]1CCC[NH2+]1)N1CCC[C@@H](O)C1 ZINC000048756122 182027245 /nfs/dbraw/zinc/02/72/45/182027245.db2.gz NWSVHNYPRHPDDN-NXEZZACHSA-N 1 0 212.293 0.112 10 0 BCAERO O=C(C[C@H]1CCC[NH2+]1)N1CCn2ccnc2C1 ZINC000062254614 182027505 /nfs/dbraw/zinc/02/75/05/182027505.db2.gz SCPGVAOHPZJIBZ-SNVBAGLBSA-N 1 0 234.303 0.367 10 0 BCAERO O=C(C[C@H]1CCC[NH2+]C1)N1CCSCC1 ZINC000054305815 182028138 /nfs/dbraw/zinc/02/81/38/182028138.db2.gz JHHOTABRRAHBDZ-SNVBAGLBSA-N 1 0 228.361 0.952 10 0 BCAERO C[NH2+][C@H]1CCC2(C[C@H]1N1CCCC1)OCCO2 ZINC000039384622 372961215 /nfs/dbraw/zinc/96/12/15/372961215.db2.gz CERNGLBORHTCEL-NWDGAFQWSA-N 1 0 240.347 0.966 10 0 BCAERO O=C(Cc1cc[nH]n1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000173748877 182052070 /nfs/dbraw/zinc/05/20/70/182052070.db2.gz NWORGZAGERNBMP-LLVKDONJSA-N 1 0 234.303 0.259 10 0 BCAERO C[C@@H]1C[NH2+]C[C@@H](C)N1C(=O)C(F)(F)F ZINC000068913547 373088610 /nfs/dbraw/zinc/08/86/10/373088610.db2.gz ZQTQCKQKGXDZMJ-PHDIDXHHSA-N 1 0 210.199 0.758 10 0 BCAERO O=S1(=O)CCC[C@H](NC2=[NH+]CCS2)C1 ZINC000068941963 373095039 /nfs/dbraw/zinc/09/50/39/373095039.db2.gz DGTAWUSCWBGTIG-ZETCQYMHSA-N 1 0 234.346 0.256 10 0 BCAERO O=C(Cn1cccn1)N1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000051358118 182068270 /nfs/dbraw/zinc/06/82/70/182068270.db2.gz SEIXPKSTUDGFHG-NWDGAFQWSA-N 1 0 248.330 0.626 10 0 BCAERO CCCCNC(=O)CN1CCC([NH2+]CC)CC1 ZINC000049279516 168840729 /nfs/dbraw/zinc/84/07/29/168840729.db2.gz SMLHMHZFKOTGMA-UHFFFAOYSA-N 1 0 241.379 0.977 10 0 BCAERO O=C(N1CCC[NH2+]CC1)C(F)(F)Cl ZINC000049477708 182080770 /nfs/dbraw/zinc/08/07/70/182080770.db2.gz SXUKPPLXWJYGOF-UHFFFAOYSA-N 1 0 212.627 0.640 10 0 BCAERO O=C(N1CC[C@H]2C[NH2+]C[C@H]21)C(F)(F)F ZINC000039055514 182083367 /nfs/dbraw/zinc/08/33/67/182083367.db2.gz LVKYRHNOQJWUKM-NTSWFWBYSA-N 1 0 208.183 0.369 10 0 BCAERO CCCCNC(=O)CN1CCCC[C@H]1C[NH2+]C ZINC000063169354 168843572 /nfs/dbraw/zinc/84/35/72/168843572.db2.gz DLEGWXFRXCEUCP-LBPRGKRZSA-N 1 0 241.379 0.977 10 0 BCAERO O=C(NC1(CO)CCCC1)[C@@H]1CCC[NH2+]C1 ZINC000053072008 182091312 /nfs/dbraw/zinc/09/13/12/182091312.db2.gz MJSVQWWPLDKNEC-SNVBAGLBSA-N 1 0 226.320 0.407 10 0 BCAERO C[C@@](N)(C[N@@H+]1CCCC(C)(C)C1)C(N)=O ZINC000069516419 373349391 /nfs/dbraw/zinc/34/93/91/373349391.db2.gz ZXULKLBAFGCTDU-LLVKDONJSA-N 1 0 213.325 0.311 10 0 BCAERO COC[C@H](C)C(=O)NCC[NH2+]C(C)(C)C ZINC000174234640 205554449 /nfs/dbraw/zinc/55/44/49/205554449.db2.gz BKEOWCDTZUNEGJ-VIFPVBQESA-N 1 0 216.325 0.773 10 0 BCAERO CC[C@@]1(C)C[C@]([NH3+])(C(=O)OC)CCO1 ZINC000069543634 373449391 /nfs/dbraw/zinc/44/93/91/373449391.db2.gz PLKPLVCMLCJUHG-UWVGGRQHSA-N 1 0 201.266 0.836 10 0 BCAERO O=C(NCCC(F)(F)F)[C@H]1CC[NH2+]C1 ZINC000063100909 182149225 /nfs/dbraw/zinc/14/92/25/182149225.db2.gz RMKATGFFHTVPLD-LURJTMIESA-N 1 0 210.199 0.665 10 0 BCAERO C[C@@H]1C[C@H](O)CCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC000633869873 373828033 /nfs/dbraw/zinc/82/80/33/373828033.db2.gz XATGPGQLNFUFDY-GMTAPVOTSA-N 1 0 226.320 0.310 10 0 BCAERO O=C(NCCN1CC[NH2+]CC1)N1CCCCC1 ZINC000082654529 182187812 /nfs/dbraw/zinc/18/78/12/182187812.db2.gz RSDTVOYWNKLQBR-UHFFFAOYSA-N 1 0 240.351 0.087 10 0 BCAERO O=C(NCC[C@@H]1CCCO1)[C@@H]1CCC[NH2+]C1 ZINC000038096848 182199493 /nfs/dbraw/zinc/19/94/93/182199493.db2.gz WPEPFQJAZFQDAQ-MNOVXSKESA-N 1 0 226.320 0.671 10 0 BCAERO O=C(NCC[C@H]1CCCO1)C1CC[NH2+]CC1 ZINC000038096841 182201864 /nfs/dbraw/zinc/20/18/64/182201864.db2.gz XYSZFOHODKBJNP-LLVKDONJSA-N 1 0 226.320 0.671 10 0 BCAERO CC[C@@]1(C)C[C@]([NH2+]C)(C(N)=O)CCO1 ZINC000069893208 373970389 /nfs/dbraw/zinc/97/03/89/373970389.db2.gz BHHNTVWKOLIWJJ-UWVGGRQHSA-N 1 0 200.282 0.409 10 0 BCAERO CC[C@]1(C)C[C@]([NH2+]C)(C(N)=O)CCO1 ZINC000069893206 373970943 /nfs/dbraw/zinc/97/09/43/373970943.db2.gz BHHNTVWKOLIWJJ-ZJUUUORDSA-N 1 0 200.282 0.409 10 0 BCAERO O=C(NCCc1ncc[nH]1)[C@H]1CCC[NH2+]C1 ZINC000125145060 182211259 /nfs/dbraw/zinc/21/12/59/182211259.db2.gz WWHIGOXDTKDFAJ-VIFPVBQESA-N 1 0 222.292 0.068 10 0 BCAERO CCc1nc(CC[NH2+]Cc2cn[nH]c2)no1 ZINC000381199300 373991478 /nfs/dbraw/zinc/99/14/78/373991478.db2.gz BWWVEHOJBHPZPG-UHFFFAOYSA-N 1 0 221.264 0.687 10 0 BCAERO O=C(NC[C@@H]1CC=CCC1)[C@H]1C[NH2+]CCO1 ZINC000045647403 182223107 /nfs/dbraw/zinc/22/31/07/182223107.db2.gz XHMWGJILCKAGQI-GHMZBOCLSA-N 1 0 224.304 0.447 10 0 BCAERO C[C@H](CC(N)=S)[NH+]1CCN(C)CC1 ZINC000041210913 374120781 /nfs/dbraw/zinc/12/07/81/374120781.db2.gz QAICWWIZCXZYJZ-MRVPVSSYSA-N 1 0 201.339 0.299 10 0 BCAERO C[C@H]1CCCCCN1S(=O)(=O)CC[NH3+] ZINC000069944728 374089969 /nfs/dbraw/zinc/08/99/69/374089969.db2.gz GZFILZIEAJKXTJ-VIFPVBQESA-N 1 0 220.338 0.539 10 0 BCAERO Cc1c(Cl)cnn1C[C@](C)([NH3+])C(N)=O ZINC000070704455 374180665 /nfs/dbraw/zinc/18/06/65/374180665.db2.gz QMJXRBIQGAAKRW-QMMMGPOBSA-N 1 0 216.672 0.048 10 0 BCAERO CS(=O)(=O)CC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000070637078 374169206 /nfs/dbraw/zinc/16/92/06/374169206.db2.gz ROTDHXZHVKMAEK-IUCAKERBSA-N 1 0 205.323 0.939 10 0 BCAERO O=C(NC[C@H]1CCCCO1)[C@@H]1CC[NH2+]C1 ZINC000062116555 182236728 /nfs/dbraw/zinc/23/67/28/182236728.db2.gz RHPNEWOMPJTYHY-NXEZZACHSA-N 1 0 212.293 0.281 10 0 BCAERO C[C@H](CN1C(=S)N=NC1N)[NH+](C)C ZINC000070883044 374224335 /nfs/dbraw/zinc/22/43/35/374224335.db2.gz GIPQPEZLYFKMQU-RXMQYKEDSA-N 1 0 201.299 0.099 10 0 BCAERO O=C(NCc1ccc(F)cc1)[C@@H]1C[NH2+]CCN1 ZINC000062812520 182249998 /nfs/dbraw/zinc/24/99/98/182249998.db2.gz ZGLMCJNRUWAJMW-NSHDSACASA-N 1 0 237.278 0.003 10 0 BCAERO O=C(N[C@@H]1CC12CCCCC2)[C@@H]1COCCN1 ZINC000335651115 182289708 /nfs/dbraw/zinc/28/97/08/182289708.db2.gz ZBCHRQJFBDWFIX-WDEREUQCSA-N 1 0 238.331 0.814 10 0 BCAERO O=C(N[C@@H]1CCCC[C@@H]1CO)C1CC[NH2+]CC1 ZINC000182875470 182292723 /nfs/dbraw/zinc/29/27/23/182292723.db2.gz JBAOBQNZQINVAV-VXGBXAGGSA-N 1 0 240.347 0.653 10 0 BCAERO O=C(N[C@@H]1CCOc2ccccc21)[C@H]1CC[NH2+]1 ZINC000336596590 182307383 /nfs/dbraw/zinc/30/73/83/182307383.db2.gz NVMMVWPYUMDMEI-GHMZBOCLSA-N 1 0 232.283 0.988 10 0 BCAERO O=C(N[C@H]1CCCC[C@H]1O)C1CC[NH2+]CC1 ZINC000052009466 182329502 /nfs/dbraw/zinc/32/95/02/182329502.db2.gz NVJXMKWNKVEMQK-WDEREUQCSA-N 1 0 226.320 0.406 10 0 BCAERO O=C(N[C@H]1CC[NH2+]C1)c1ccc2[nH]cnc2c1 ZINC000036286801 182335577 /nfs/dbraw/zinc/33/55/77/182335577.db2.gz JRNUROAIPQLCDX-VIFPVBQESA-N 1 0 230.271 0.655 10 0 BCAERO O=C(Nc1cccc(F)c1F)[C@H]1C[NH2+]CCN1 ZINC000062812921 182370803 /nfs/dbraw/zinc/37/08/03/182370803.db2.gz YVQRKLKATDENMI-SECBINFHSA-N 1 0 241.241 0.465 10 0 BCAERO O=C(OCC1CCOCC1)C1CC[NH2+]CC1 ZINC000052145741 182601978 /nfs/dbraw/zinc/60/19/78/182601978.db2.gz INPWZDTXXUQGKU-UHFFFAOYSA-N 1 0 227.304 0.956 10 0 BCAERO O=C(OCC1CCOCC1)[C@H]1CCC[NH2+]1 ZINC000052145704 182602405 /nfs/dbraw/zinc/60/24/05/182602405.db2.gz OMOQUUXJNRSLEG-SNVBAGLBSA-N 1 0 213.277 0.708 10 0 BCAERO O=C([C@@H]1CCC[NH2+]1)N(CCO)C1CCCC1 ZINC000037824809 182615950 /nfs/dbraw/zinc/61/59/50/182615950.db2.gz DDPWNEQYEMWOAB-NSHDSACASA-N 1 0 226.320 0.502 10 0 BCAERO O=C([C@@H]1CCC[NH2+]1)N1CCCC2(C1)OCCO2 ZINC000237940207 182616250 /nfs/dbraw/zinc/61/62/50/182616250.db2.gz HEBNGMBHLZODCA-JTQLQIEISA-N 1 0 240.303 0.104 10 0 BCAERO O=C([C@H]1Cc2ccccc2C[NH2+]1)N1CC[C@H](O)C1 ZINC000061712302 182644308 /nfs/dbraw/zinc/64/43/08/182644308.db2.gz ATJRYMNMAKCQJW-QWHCGFSZSA-N 1 0 246.310 0.294 10 0 BCAERO CCOC(=O)[C@@H](N)CC[NH+]1CCCCC1 ZINC000062441999 170253129 /nfs/dbraw/zinc/25/31/29/170253129.db2.gz IYMQDSKFSZJNHF-JTQLQIEISA-N 1 0 214.309 0.753 10 0 BCAERO O=C1C[C@@H]([NH2+]Cc2cc[nH]c2)CN1C1CC1 ZINC000086256291 182776722 /nfs/dbraw/zinc/77/67/22/182776722.db2.gz APGFNSSWXWNLMP-SNVBAGLBSA-N 1 0 219.288 0.868 10 0 BCAERO O=C1NCCN1CC[NH2+]CCc1ccccn1 ZINC000020049715 182804643 /nfs/dbraw/zinc/80/46/43/182804643.db2.gz JUHZJYMGDQVONA-UHFFFAOYSA-N 1 0 234.303 0.239 10 0 BCAERO O=S(=O)(Cc1cccnc1)[C@H]1CC[NH2+]C1 ZINC000095073097 182890881 /nfs/dbraw/zinc/89/08/81/182890881.db2.gz DQKXHZRPIGHQCX-JTQLQIEISA-N 1 0 226.301 0.358 10 0 BCAERO O=S(=O)(NC1CCC1)C1CC[NH2+]CC1 ZINC000052212868 182894893 /nfs/dbraw/zinc/89/48/93/182894893.db2.gz DNELGDMBQOTXJB-UHFFFAOYSA-N 1 0 218.322 0.210 10 0 BCAERO O=S1(=O)CC[C@H](C[NH2+]C2CCSCC2)C1 ZINC000037982749 182912383 /nfs/dbraw/zinc/91/23/83/182912383.db2.gz PRJNRXNNFKTQLO-SECBINFHSA-N 1 0 249.401 0.906 10 0 BCAERO O=S1(=O)CC[C@H](C[NH2+]C[C@@H]2CCCO2)C1 ZINC000038084117 182912587 /nfs/dbraw/zinc/91/25/87/182912587.db2.gz CJXRBXRLEJEIDB-ZJUUUORDSA-N 1 0 233.333 0.190 10 0 BCAERO O=[S@@](Cc1ccncc1)[C@H]1CC[NH2+]C1 ZINC000095073447 182963252 /nfs/dbraw/zinc/96/32/52/182963252.db2.gz DLVGQBOIJZCMOM-IINYFYTJSA-N 1 0 210.302 0.692 10 0 BCAERO O=[S@@](C[C@@H]1CCC[NH2+]1)c1cc(Cl)ncn1 ZINC000095070430 182963326 /nfs/dbraw/zinc/96/33/26/182963326.db2.gz BELSDFYULHKNNY-NZFNHWASSA-N 1 0 245.735 0.990 10 0 BCAERO O=[S@@](Cc1cncs1)[C@@H]1CC[NH2+]C1 ZINC000095073455 182963998 /nfs/dbraw/zinc/96/39/98/182963998.db2.gz ZAPRZBMKQRHHHJ-AMIZOPFISA-N 1 0 216.331 0.754 10 0 BCAERO O=[S@](c1nccs1)[C@@H]1CC[NH2+]C1 ZINC000095072995 182968073 /nfs/dbraw/zinc/96/80/73/182968073.db2.gz FJMGQZGQTROLJN-SREIQFSDSA-N 1 0 202.304 0.613 10 0 BCAERO O=[S@](c1cnccn1)C1CC[NH2+]CC1 ZINC000095073412 182968260 /nfs/dbraw/zinc/96/82/60/182968260.db2.gz FDBLVZSPTLNFND-CQSZACIVSA-N 1 0 211.290 0.336 10 0 BCAERO O=c1cccnn1CC[NH2+]Cc1ccccn1 ZINC000061405182 183004127 /nfs/dbraw/zinc/00/41/27/183004127.db2.gz QZEJWPNAHMGMKW-UHFFFAOYSA-N 1 0 230.271 0.428 10 0 BCAERO CCOCC[NH2+]C[C@@H](O)COC[C@H]1CCCO1 ZINC000037892760 170411908 /nfs/dbraw/zinc/41/19/08/170411908.db2.gz JYKFOLYZWAEYDM-VXGBXAGGSA-N 1 0 247.335 0.169 10 0 BCAERO O=c1ncccn1CC[C@@H]1CCCC[NH2+]1 ZINC000041631029 183011715 /nfs/dbraw/zinc/01/17/15/183011715.db2.gz DZCLTCISMSOWON-JTQLQIEISA-N 1 0 207.277 0.776 10 0 BCAERO OC1(CN2CC[N@@H+]3CCC[C@@H]3C2)CCC1 ZINC000336470955 183019440 /nfs/dbraw/zinc/01/94/40/183019440.db2.gz RQKJWBVYCQHEHN-LLVKDONJSA-N 1 0 210.321 0.681 10 0 BCAERO OCCC[NH2+]C[C@H]1COc2ccccc2O1 ZINC000022006243 183058800 /nfs/dbraw/zinc/05/88/00/183058800.db2.gz HCSGAGXOCHYBLF-JTQLQIEISA-N 1 0 223.272 0.798 10 0 BCAERO OCCN1CCC[N@H+](C[C@H]2CCCCO2)CC1 ZINC000071350148 183072571 /nfs/dbraw/zinc/07/25/71/183072571.db2.gz CMVFFGGQLDJTRU-CYBMUJFWSA-N 1 0 242.363 0.556 10 0 BCAERO OCC[NH+]1CCC(Cn2cccn2)CC1 ZINC000177712421 183073028 /nfs/dbraw/zinc/07/30/28/183073028.db2.gz GOTXQOLJWNOEGQ-UHFFFAOYSA-N 1 0 209.293 0.587 10 0 BCAERO OCCOCCN1CCCC[C@@H]1C[NH2+]C1CC1 ZINC000104418662 183081475 /nfs/dbraw/zinc/08/14/75/183081475.db2.gz WMADBZWYXZEXHC-CYBMUJFWSA-N 1 0 242.363 0.602 10 0 BCAERO OCCOC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000160685467 183082651 /nfs/dbraw/zinc/08/26/51/183082651.db2.gz SRLQNRYUKKCMLS-STQMWFEESA-N 1 0 243.347 0.763 10 0 BCAERO OC[C@@H](O)C[NH2+][C@H]1CCc2ccccc2C1 ZINC000051631739 183111584 /nfs/dbraw/zinc/11/15/84/183111584.db2.gz OQSDINOIKUKBFG-STQMWFEESA-N 1 0 221.300 0.487 10 0 BCAERO CCCC[C@H]([NH3+])C(=O)N1CC[C@@H](O)C1 ZINC000061712443 169006261 /nfs/dbraw/zinc/00/62/61/169006261.db2.gz QFBABZWDDBXHQV-BDAKNGLRSA-N 1 0 200.282 0.097 10 0 BCAERO CCCC[C@H]([NH3+])C(=O)N(CCCC)CC(N)=O ZINC000037812862 169006480 /nfs/dbraw/zinc/00/64/80/169006480.db2.gz UBMZHYQDUBXTOB-JTQLQIEISA-N 1 0 243.351 0.618 10 0 BCAERO OC[C@@H](O)C[N@@H+]1CCC[C@@H]2CCCC[C@H]21 ZINC000065515030 183111254 /nfs/dbraw/zinc/11/12/54/183111254.db2.gz PPEOZMCQJPKHAA-SDDRHHMPSA-N 1 0 213.321 0.994 10 0 BCAERO OC[C@H](C1CCCCC1)[NH+]1CCNCC1 ZINC000038120763 183135655 /nfs/dbraw/zinc/13/56/55/183135655.db2.gz VFFRXKKEGKCHFO-GFCCVEGCSA-N 1 0 212.337 0.833 10 0 BCAERO O[C@@H](CN1CC[NH2+]CC1)c1cccc(F)c1 ZINC000070459582 183177314 /nfs/dbraw/zinc/17/73/14/183177314.db2.gz NHCACYSKPMOEDC-LBPRGKRZSA-N 1 0 224.279 0.764 10 0 BCAERO O[C@@H](C[NH2+]C1CC1)COCCc1ccccn1 ZINC000036951235 183177319 /nfs/dbraw/zinc/17/73/19/183177319.db2.gz JGIDXJZGCAWMRD-ZDUSSCGKSA-N 1 0 236.315 0.754 10 0 BCAERO O[C@@H](COC[C@H]1C[NH2+]CCO1)c1ccccc1 ZINC000033898873 183182567 /nfs/dbraw/zinc/18/25/67/183182567.db2.gz DWFJZBRYOXLXHU-OLZOCXBDSA-N 1 0 237.299 0.725 10 0 BCAERO O[C@@H]1CCCC[C@@H]1[NH2+]Cc1cnccn1 ZINC000054766777 183188959 /nfs/dbraw/zinc/18/89/59/183188959.db2.gz PWWAGWUBAHWERB-WDEREUQCSA-N 1 0 207.277 0.870 10 0 BCAERO O[C@@H]1CCCC[C@@H]1[NH2+]CCn1ccnc1 ZINC000042541380 183189315 /nfs/dbraw/zinc/18/93/15/183189315.db2.gz LKAAGLVUEUOHIM-WDEREUQCSA-N 1 0 209.293 0.776 10 0 BCAERO CCCN(CC(=O)OC)C(=O)[C@@](C)([NH3+])CCC ZINC000037813088 169100816 /nfs/dbraw/zinc/10/08/16/169100816.db2.gz RIPUWVNGSNCYKR-LBPRGKRZSA-N 1 0 244.335 0.916 10 0 BCAERO CCCN([C@H]1CCOC1=O)C1CC[NH2+]CC1 ZINC000037469594 169091244 /nfs/dbraw/zinc/09/12/44/169091244.db2.gz WWDCUENCPAGGRV-NSHDSACASA-N 1 0 226.320 0.766 10 0 BCAERO CCCN([C@H](C)C(=O)N(C)C)C1CC[NH2+]CC1 ZINC000037539305 169091413 /nfs/dbraw/zinc/09/14/13/169091413.db2.gz XNUYYVAJUYOSAT-LLVKDONJSA-N 1 0 241.379 0.927 10 0 BCAERO CCCN(CC(=O)NC)C(=O)[C@](C)([NH3+])CCC ZINC000038101080 169094245 /nfs/dbraw/zinc/09/42/45/169094245.db2.gz OHUFYODMXLCBBQ-GFCCVEGCSA-N 1 0 243.351 0.489 10 0 BCAERO CCCN(CC(=O)NC)C(=O)[C@@H]([NH3+])[C@@H](C)CC ZINC000038101025 169094414 /nfs/dbraw/zinc/09/44/14/169094414.db2.gz YIKMTKXIMLMCKA-ONGXEEELSA-N 1 0 243.351 0.344 10 0 BCAERO CCS(=O)(=O)N1CC[C@H](C)C[C@@H]1C[NH3+] ZINC000233839416 170614798 /nfs/dbraw/zinc/61/47/98/170614798.db2.gz ZASKGEDNQYABJV-DTWKUNHWSA-N 1 0 220.338 0.395 10 0 BCAERO O[C@H]1COC[C@@H]1[NH2+]CCc1ccccc1 ZINC000037878383 183246715 /nfs/dbraw/zinc/24/67/15/183246715.db2.gz ZGAJKKGINOTABQ-RYUDHWBXSA-N 1 0 207.273 0.578 10 0 BCAERO O[C@H]1CCCC[C@H]1[NH2+]Cc1cncnc1 ZINC000054768229 183233488 /nfs/dbraw/zinc/23/34/88/183233488.db2.gz GXTUWNUZMZGWFP-MNOVXSKESA-N 1 0 207.277 0.870 10 0 BCAERO Oc1ccc(C[NH2+]C[C@@H]2COCCO2)cc1 ZINC000037997886 183270188 /nfs/dbraw/zinc/27/01/88/183270188.db2.gz COWWNSKKHQCKSZ-GFCCVEGCSA-N 1 0 223.272 0.897 10 0 BCAERO CCCN(CCC)C(=O)[C@H](C)N1CC[NH2+]CC1 ZINC000019977231 169144246 /nfs/dbraw/zinc/14/42/46/169144246.db2.gz IQPWDVJQEFABBI-LBPRGKRZSA-N 1 0 241.379 0.929 10 0 BCAERO CCC[N@H+](C[C@H](O)Cn1cc(N)cn1)C(C)C ZINC000037095508 169173897 /nfs/dbraw/zinc/17/38/97/169173897.db2.gz OSIDZDYEXIAGPK-LBPRGKRZSA-N 1 0 240.351 0.947 10 0 BCAERO CCCN(CCC[NH3+])CC(=O)N[C@H](C)COC ZINC000049290500 169155611 /nfs/dbraw/zinc/15/56/11/169155611.db2.gz VPWWHIFJWISZDR-LLVKDONJSA-N 1 0 245.367 0.198 10 0 BCAERO CCCN([C@H]1CCC[NH2+]C1)S(C)(=O)=O ZINC000037470082 169180785 /nfs/dbraw/zinc/18/07/85/169180785.db2.gz SAOUDPWKLXSOTD-VIFPVBQESA-N 1 0 220.338 0.410 10 0 BCAERO CCCN1C(=O)C[C@H]([NH2+]C[C@H](C)N(C)C)C1=O ZINC000038089021 169184373 /nfs/dbraw/zinc/18/43/73/169184373.db2.gz FNRAZHNBKGQYAO-UWVGGRQHSA-N 1 0 241.335 0.064 10 0 BCAERO c1c[nH]c(C[NH2+]CCCN2CCOCC2)c1 ZINC000048408679 183325013 /nfs/dbraw/zinc/32/50/13/183325013.db2.gz LNUIPOVWQMDVLE-UHFFFAOYSA-N 1 0 223.320 0.827 10 0 BCAERO O=c1[nH]c(C2CC[NH2+]CC2)nc2nccnc12 ZINC000026466169 183308264 /nfs/dbraw/zinc/30/82/64/183308264.db2.gz HFQYNNCWTJVVRW-UHFFFAOYSA-N 1 0 231.259 0.592 10 0 BCAERO CCC[NH+]1CCN(CCC(N)=S)CC1 ZINC000019517182 169203514 /nfs/dbraw/zinc/20/35/14/169203514.db2.gz BVOFOQVFTXTMFI-UHFFFAOYSA-N 1 0 215.366 0.690 10 0 BCAERO CCCNC(=O)CNC(=O)[C@@H]1CCC[C@@H](C)[NH2+]1 ZINC000036781277 169225234 /nfs/dbraw/zinc/22/52/34/169225234.db2.gz AZIKQLBYZYUSCC-ZJUUUORDSA-N 1 0 241.335 0.159 10 0 BCAERO CCCNC(=O)C[NH2+][C@@H](C)C(=O)N[C@H](C)CC ZINC000035207093 169227654 /nfs/dbraw/zinc/22/76/54/169227654.db2.gz VBGYRTVUUXWHIW-ZJUUUORDSA-N 1 0 243.351 0.405 10 0 BCAERO CCCNC(=O)C[NH2+][C@H](C)C(=O)NC(C)(C)C ZINC000035148408 169229142 /nfs/dbraw/zinc/22/91/42/169229142.db2.gz MGUQIGWSAVFKMQ-SECBINFHSA-N 1 0 243.351 0.405 10 0 BCAERO CCCNC(=O)CCCN1CC[NH2+]CC1 ZINC000041227158 169215633 /nfs/dbraw/zinc/21/56/33/169215633.db2.gz FEOVTFDYCRFSLE-UHFFFAOYSA-N 1 0 213.325 0.198 10 0 BCAERO CCCNC(=O)CN(C)[C@H]1CCCC[C@@H]1C[NH3+] ZINC000042517574 169219330 /nfs/dbraw/zinc/21/93/30/169219330.db2.gz GDGJSNDWYOJIKH-NEPJUHHUSA-N 1 0 241.379 0.962 10 0 BCAERO CCC[NH2+]CC(=O)N(CC)[C@@H](C)COC ZINC000044650255 169255937 /nfs/dbraw/zinc/25/59/37/169255937.db2.gz JJFLDZJYDPHLML-JTQLQIEISA-N 1 0 216.325 0.869 10 0 BCAERO CCC[NH2+]C1CCN(CCC(=O)N(C)C)CC1 ZINC000037897521 169256207 /nfs/dbraw/zinc/25/62/07/169256207.db2.gz QDLDMBGFQORTIE-UHFFFAOYSA-N 1 0 241.379 0.929 10 0 BCAERO CCC[NH2+]CCNc1ccc(C(=O)OC)nn1 ZINC000054267544 169260405 /nfs/dbraw/zinc/26/04/05/169260405.db2.gz NJFXRHGSXCOUIC-UHFFFAOYSA-N 1 0 238.291 0.675 10 0 BCAERO CCC[NH2+]CCNc1nccc(OC)n1 ZINC000054267528 169260604 /nfs/dbraw/zinc/26/06/04/169260604.db2.gz YHHGCTWDEVXCHD-UHFFFAOYSA-N 1 0 210.281 0.897 10 0 BCAERO CCC[NH2+]C[C@@H]1CCCN(CCOCCO)C1 ZINC000104414695 169261953 /nfs/dbraw/zinc/26/19/53/169261953.db2.gz VKIMZEDOERZRPN-ZDUSSCGKSA-N 1 0 244.379 0.707 10 0 BCAERO CCCNC(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040740879 169236499 /nfs/dbraw/zinc/23/64/99/169236499.db2.gz JYLUBVLAKMBMMX-ULKQDVFKSA-N 1 0 211.309 0.979 10 0 BCAERO c1nnc2ccc(N[C@@H]3CCC[NH2+]C3)nn12 ZINC000073736992 183377333 /nfs/dbraw/zinc/37/73/33/183377333.db2.gz XJVDQESQSMADKQ-MRVPVSSYSA-N 1 0 218.264 0.288 10 0 BCAERO CCCNC(=O)[C@@H](C)NC(=O)[C@@]1(C)CC[NH2+]C1 ZINC000062892196 169242666 /nfs/dbraw/zinc/24/26/66/169242666.db2.gz MWVUUCGBWQFLFG-SKDRFNHKSA-N 1 0 241.335 0.017 10 0 BCAERO CCCNC(=O)[C@H](C)NC(=O)[C@H](C)C[NH2+]CC ZINC000061231368 169245680 /nfs/dbraw/zinc/24/56/80/169245680.db2.gz YERHZTJUAKYRIL-ZJUUUORDSA-N 1 0 243.351 0.263 10 0 BCAERO CCCNC(=O)[C@H](C)[NH2+]CCn1cc(C)cn1 ZINC000105881485 169246944 /nfs/dbraw/zinc/24/69/44/169246944.db2.gz OVVSHUWFNNJYBZ-NSHDSACASA-N 1 0 238.335 0.696 10 0 BCAERO CCC[NH2+][C@H](C)[C@H]1CCCCN1CC(=O)NC ZINC000104409213 169287431 /nfs/dbraw/zinc/28/74/31/169287431.db2.gz DFJFDPJJJDHTSM-VXGBXAGGSA-N 1 0 241.379 0.975 10 0 BCAERO c1ccc(-n2nnnc2OC[C@@H]2CC[NH2+]C2)cc1 ZINC000051888650 183387879 /nfs/dbraw/zinc/38/78/79/183387879.db2.gz YWGHVHNUJNJSKR-SNVBAGLBSA-N 1 0 245.286 0.651 10 0 BCAERO CCC[NH2+][C@H](CCOCCOCCC)C(N)=O ZINC000104253064 169289308 /nfs/dbraw/zinc/28/93/08/169289308.db2.gz ATEWMCZSFWKTRS-LLVKDONJSA-N 1 0 246.351 0.673 10 0 BCAERO CCC[NH2+]C[C@H](O)CN1C(=O)CCCCC1=O ZINC000035327932 169263423 /nfs/dbraw/zinc/26/34/23/169263423.db2.gz VQMWKBOSAKOUMX-JTQLQIEISA-N 1 0 242.319 0.276 10 0 BCAERO CCC[NH2+]Cc1c[nH]c2nc(N)[nH]c(=O)c12 ZINC000029463999 169265520 /nfs/dbraw/zinc/26/55/20/169265520.db2.gz VNQNEZWUKRFDDX-UHFFFAOYSA-N 1 0 221.264 0.745 10 0 BCAERO CCC[NH2+][C@@H](CC[N@H+](C)CCCOC)C(=O)[O-] ZINC000062533699 169278066 /nfs/dbraw/zinc/27/80/66/169278066.db2.gz SCPGPOBQJPTDQF-NSHDSACASA-N 1 0 246.351 0.798 10 0 BCAERO CCC[NH2+][C@@H]1CCC[C@@H]1S(C)(=O)=O ZINC000054930522 169282143 /nfs/dbraw/zinc/28/21/43/169282143.db2.gz LBIVKHXNMLNVKT-BDAKNGLRSA-N 1 0 205.323 0.952 10 0 BCAERO CCCOCC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000116782918 169302907 /nfs/dbraw/zinc/30/29/07/169302907.db2.gz WEVYKDSLGWQPEI-LLVKDONJSA-N 1 0 244.335 0.202 10 0 BCAERO CCCOCC(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000193533739 169307047 /nfs/dbraw/zinc/30/70/47/169307047.db2.gz BETYOTVGOSQVIN-VHSXEESVSA-N 1 0 214.309 0.670 10 0 BCAERO CCCS(=O)(=O)N1CC[C@H]2C[NH2+]C[C@@H]21 ZINC000077480534 169331449 /nfs/dbraw/zinc/33/14/49/169331449.db2.gz ORRJZALCYPCNBH-IUCAKERBSA-N 1 0 218.322 0.020 10 0 BCAERO CCCS(=O)(=O)N[C@H]1CC[N@H+](CC)C1 ZINC000308338572 169333481 /nfs/dbraw/zinc/33/34/81/169333481.db2.gz VLBMJMMSSUQOPP-VIFPVBQESA-N 1 0 220.338 0.410 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)N(CCOC)CC(F)F ZINC000236900412 169387707 /nfs/dbraw/zinc/38/77/07/169387707.db2.gz JJBSFCIBXVIVBK-MRVPVSSYSA-N 1 0 238.278 0.854 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)N1CCCC[C@H]1CO ZINC000036873371 169388138 /nfs/dbraw/zinc/38/81/38/169388138.db2.gz USCAKUQBFOLJBK-VHSXEESVSA-N 1 0 214.309 0.487 10 0 BCAERO c1cnn(CC[NH2+]CCCN2CCOCC2)c1 ZINC000049314261 183502635 /nfs/dbraw/zinc/50/26/35/183502635.db2.gz CMWIZLICGLCMGF-UHFFFAOYSA-N 1 0 238.335 0.195 10 0 BCAERO CCC[C@@H](C[NH3+])C(=O)N1CCCO[C@H](C)C1 ZINC000061918797 169382658 /nfs/dbraw/zinc/38/26/58/169382658.db2.gz BRWMTJJEGVNTGB-MNOVXSKESA-N 1 0 228.336 0.999 10 0 BCAERO c1cncc(CCC[NH2+]CCN2CCOCC2)c1 ZINC000041304566 183490231 /nfs/dbraw/zinc/49/02/31/183490231.db2.gz BWKBNAAYDCFXOX-UHFFFAOYSA-N 1 0 249.358 0.936 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)N(C)CC(=O)NC(C)C ZINC000037801337 169386986 /nfs/dbraw/zinc/38/69/86/169386986.db2.gz RDOWJQMULZAUQW-SECBINFHSA-N 1 0 229.324 0.097 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)NC[C@H](C)C(=O)OC(C)C ZINC000236957780 169389674 /nfs/dbraw/zinc/38/96/74/169389674.db2.gz NCCZJNKVXXTWGX-VHSXEESVSA-N 1 0 244.335 0.818 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)NCCCCOC ZINC000044659920 169388982 /nfs/dbraw/zinc/38/89/82/169388982.db2.gz NZVUNMWXBVAAFC-SECBINFHSA-N 1 0 202.298 0.657 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)NC[C@@H](C)Cn1cccn1 ZINC000236952220 169389100 /nfs/dbraw/zinc/38/91/00/169389100.db2.gz FNVVQIFKIFBKNZ-GHMZBOCLSA-N 1 0 238.335 0.763 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)N[C@H](CCO)CSC ZINC000236998921 169391470 /nfs/dbraw/zinc/39/14/70/169391470.db2.gz AFGFLHUPSHOZHR-RKDXNWHRSA-N 1 0 234.365 0.344 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)N[C@@H](CCO)CSC ZINC000236985399 169390274 /nfs/dbraw/zinc/39/02/74/169390274.db2.gz AFGFLHUPSHOZHR-DTWKUNHWSA-N 1 0 234.365 0.344 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)NCc1cccc(C(N)=O)c1 ZINC000040832071 169390419 /nfs/dbraw/zinc/39/04/19/169390419.db2.gz AGEGIOVWEFLUCV-LLVKDONJSA-N 1 0 249.314 0.529 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)N[C@H](C)C(=O)NC(C)(C)C ZINC000134454112 169390526 /nfs/dbraw/zinc/39/05/26/169390526.db2.gz FHKYXESGDGCENL-RKDXNWHRSA-N 1 0 243.351 0.533 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)N[C@@H](C)c1cnn(C)c1 ZINC000236981790 169390748 /nfs/dbraw/zinc/39/07/48/169390748.db2.gz SQIZJSUGQIUMNI-WCBMZHEXSA-N 1 0 224.308 0.725 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)NCc1ccc(OC)nc1 ZINC000040828535 169390861 /nfs/dbraw/zinc/39/08/61/169390861.db2.gz LGYKDOIFMFJFBC-SNVBAGLBSA-N 1 0 237.303 0.834 10 0 BCAERO c1[nH]nc2ncnc(N[C@@H]3CCC[NH2+]C3)c12 ZINC000147167566 183535224 /nfs/dbraw/zinc/53/52/24/183535224.db2.gz YAGSZGXGQAEVMV-SSDOTTSWSA-N 1 0 218.264 0.517 10 0 BCAERO CC(C)(C)OC(=O)N1CCC([NH3+])(O)CC1 ZINC000064034239 166646959 /nfs/dbraw/zinc/64/69/59/166646959.db2.gz CAIOFEOLTUNMOE-UHFFFAOYSA-N 1 0 216.281 0.665 10 0 BCAERO c1nncn1[C@@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC000096223760 183553124 /nfs/dbraw/zinc/55/31/24/183553124.db2.gz SMNSMUMLMDTUAE-UWVGGRQHSA-N 1 0 208.265 0.362 10 0 BCAERO CCC[C@@](C)([NH3+])C(=O)N1CCOC[C@@H]1C ZINC000037481452 169451057 /nfs/dbraw/zinc/45/10/57/169451057.db2.gz ZHHCKVOHXSKIHU-GXSJLCMTSA-N 1 0 214.309 0.751 10 0 BCAERO CC(C)(C)OC(=O)N1CCO[C@H](C(N)=[NH2+])C1 ZINC000083326187 166650974 /nfs/dbraw/zinc/65/09/74/166650974.db2.gz RHGRPKHFOBHDET-ZETCQYMHSA-N 1 0 229.280 0.558 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N(C)CC(=O)OCC ZINC000237035212 169499961 /nfs/dbraw/zinc/49/99/61/169499961.db2.gz LIJWIKYXQQWFLC-QMMMGPOBSA-N 1 0 216.281 0.135 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N1CCN(CC2CC2)CC1 ZINC000037816823 169500193 /nfs/dbraw/zinc/50/01/93/169500193.db2.gz JSUBDUGIGJHHJD-LBPRGKRZSA-N 1 0 239.363 0.668 10 0 BCAERO CCC[C@H]([NH3+])C(=O)NCCCC(=O)N(C)C ZINC000236850480 169501285 /nfs/dbraw/zinc/50/12/85/169501285.db2.gz KWHCRHSZBQOXFE-VIFPVBQESA-N 1 0 229.324 0.098 10 0 BCAERO CCC[C@H]([NH3+])C(=O)NCC[S@](=O)C(C)(C)C ZINC000236859984 169501823 /nfs/dbraw/zinc/50/18/23/169501823.db2.gz INZLEYRQROQGBK-FVMDXXJSSA-N 1 0 248.392 0.777 10 0 BCAERO CC(C)(C)OC(=O)N[C@@H]1CCCN(C(N)=[NH2+])C1 ZINC000073640633 166666306 /nfs/dbraw/zinc/66/63/06/166666306.db2.gz YIGMSJYDEVDGRN-MRVPVSSYSA-N 1 0 242.323 0.869 10 0 BCAERO C[C@H](O)C1CC[NH+](CC(C)(C)O)CC1 ZINC000225784415 134357314 /nfs/dbraw/zinc/35/73/14/134357314.db2.gz OYDFMQUBVGJRSN-VIFPVBQESA-N 1 0 201.310 0.850 10 0 BCAERO CCN(C(=O)C(=O)N1CCC[NH2+]CC1)C(C)C ZINC000037082657 169629705 /nfs/dbraw/zinc/62/97/05/169629705.db2.gz NEJBXKBVCIICLX-UHFFFAOYSA-N 1 0 241.335 0.065 10 0 BCAERO CCN(C(=O)c1ccncc1)[C@H]1CC[NH2+]C1 ZINC000058233997 169660352 /nfs/dbraw/zinc/66/03/52/169660352.db2.gz ZEQWUCZNVNCHNJ-NSHDSACASA-N 1 0 219.288 0.906 10 0 BCAERO COC[C@H](O)CN1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000226658128 134368299 /nfs/dbraw/zinc/36/82/99/134368299.db2.gz RHUZIIWYMYRGHA-SDDRHHMPSA-N 1 0 228.336 0.162 10 0 BCAERO C[C@H](O)CC[N@@H+]1C[C@@H](C)[C@H](N(C)C)C1 ZINC000227236540 134376431 /nfs/dbraw/zinc/37/64/31/134376431.db2.gz KXTBJROIBZLLOH-OUAUKWLOSA-N 1 0 200.326 0.639 10 0 BCAERO Cc1nnc(N(C)CCOCC[NH3+])s1 ZINC000301053447 383880130 /nfs/dbraw/zinc/88/01/30/383880130.db2.gz YFDPUWIWWLLFRU-UHFFFAOYSA-N 1 0 216.310 0.258 10 0 BCAERO Clc1cncnc1N1CCC[NH2+]CC1 ZINC000163559622 383858370 /nfs/dbraw/zinc/85/83/70/383858370.db2.gz AAVZDCWFBZFEQF-UHFFFAOYSA-N 1 0 212.684 0.930 10 0 BCAERO CN(CCOCC[NH3+])c1ncncc1Cl ZINC000301043015 383877337 /nfs/dbraw/zinc/87/73/37/383877337.db2.gz LCYGSRWGMPULPC-UHFFFAOYSA-N 1 0 230.699 0.542 10 0 BCAERO O=C([O-])[C@H]1C[NH2+]CCN1c1nc2ccccc2[nH]1 ZINC000088673693 383917270 /nfs/dbraw/zinc/91/72/70/383917270.db2.gz OFOXMZVDRGJODX-SNVBAGLBSA-N 1 0 246.270 0.426 10 0 BCAERO CS(=O)(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000306810039 383918689 /nfs/dbraw/zinc/91/86/89/383918689.db2.gz AYYBWLVVSJHYRW-RFZPGFLSSA-N 1 0 217.212 0.181 10 0 BCAERO CC(C)N1C(=O)N[C@](C)([C@@H]2CCC[NH2+]C2)C1=O ZINC000088611684 383918953 /nfs/dbraw/zinc/91/89/53/383918953.db2.gz CZBOIKUXBZPHCD-BXKDBHETSA-N 1 0 239.319 0.705 10 0 BCAERO CCCCNC(=O)[C@H](C)N1C[C@H](C)[C@H]([NH3+])C1 ZINC000300047764 383922749 /nfs/dbraw/zinc/92/27/49/383922749.db2.gz FRLHAZOOFGFUGC-GARJFASQSA-N 1 0 227.352 0.570 10 0 BCAERO COC(C)(C)CN(C)C(=O)[C@@H]1C[NH2+]CCOC1 ZINC000643737185 383924225 /nfs/dbraw/zinc/92/42/25/383924225.db2.gz YUIGIPYVMQVBOJ-SNVBAGLBSA-N 1 0 244.335 0.106 10 0 BCAERO COC(=O)[C@@H](C)NC(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000070502937 383931471 /nfs/dbraw/zinc/93/14/71/383931471.db2.gz IVJSWCJKLLDLQK-VGMNWLOBSA-N 1 0 228.292 0.182 10 0 BCAERO C[C@@H]([NH3+])C(=O)Nc1ccc2c[nH]nc2c1 ZINC000037040765 383931644 /nfs/dbraw/zinc/93/16/44/383931644.db2.gz PQAHOKPKIPOWPF-ZCFIWIBFSA-N 1 0 204.233 0.849 10 0 BCAERO COC(=O)[C@H](C)CNC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000237105353 383889256 /nfs/dbraw/zinc/88/92/56/383889256.db2.gz XKCQOVNEVXVXOO-HRDYMLBCSA-N 1 0 228.292 0.039 10 0 BCAERO NC(=O)[C@]1(O)CCC[N@H+](CC2=CCCC2)C1 ZINC000401138969 383982601 /nfs/dbraw/zinc/98/26/01/383982601.db2.gz FXEGWWJQIIDVRQ-LBPRGKRZSA-N 1 0 224.304 0.409 10 0 BCAERO CC(C)CNC(=O)[C@H](C)[N@@H+]1CC[C@@H](CCO)C1 ZINC000227574587 134386182 /nfs/dbraw/zinc/38/61/82/134386182.db2.gz YLRCRTIJMXVNCZ-RYUDHWBXSA-N 1 0 242.363 0.851 10 0 BCAERO CCOC[C@@H](O)C[N@@H+]1CC[C@@H](CCO)C1 ZINC000227576313 134386193 /nfs/dbraw/zinc/38/61/93/134386193.db2.gz CNMMXWFILNFELA-QWRGUYRKSA-N 1 0 217.309 0.088 10 0 BCAERO O=C([C@@H]1C[NH2+]CCOC1)N1CCCCCC1 ZINC000643614190 383993168 /nfs/dbraw/zinc/99/31/68/383993168.db2.gz MONSENWWAHEGDJ-LLVKDONJSA-N 1 0 226.320 0.625 10 0 BCAERO CC[C@@H](C)NC(=O)[C@H]1C[NH2+]CCOC1 ZINC000643613770 383994392 /nfs/dbraw/zinc/99/43/92/383994392.db2.gz CKWKGYJVSDFZSY-BDAKNGLRSA-N 1 0 200.282 0.137 10 0 BCAERO COC[C@]1(C(=O)Nc2nncs2)CCC[NH2+]1 ZINC000643614146 383994814 /nfs/dbraw/zinc/99/48/14/383994814.db2.gz LDPIHSPUIUZDQA-VIFPVBQESA-N 1 0 242.304 0.245 10 0 BCAERO CC[C@H](C)NC(=O)[C@H]1C[NH2+]CCOC1 ZINC000643613775 383995196 /nfs/dbraw/zinc/99/51/96/383995196.db2.gz CKWKGYJVSDFZSY-IUCAKERBSA-N 1 0 200.282 0.137 10 0 BCAERO CC[C@@H](C)NC(=O)[C@@H]1C[NH2+]CCOC1 ZINC000643613776 383995749 /nfs/dbraw/zinc/99/57/49/383995749.db2.gz CKWKGYJVSDFZSY-RKDXNWHRSA-N 1 0 200.282 0.137 10 0 BCAERO C[C@@H]1[C@@H](O)CCC[N@@H+]1CCc1ccnn1C ZINC000296169741 383948001 /nfs/dbraw/zinc/94/80/01/383948001.db2.gz KXFHQANAZOSQRW-PWSUYJOCSA-N 1 0 223.320 0.808 10 0 BCAERO COc1cc(C)nc(N2C[C@H]([NH3+])C[C@H]2C)n1 ZINC000385271247 383966102 /nfs/dbraw/zinc/96/61/02/383966102.db2.gz SNYQFWGONZQCBI-RKDXNWHRSA-N 1 0 222.292 0.720 10 0 BCAERO CO[C@H]1C[NH2+][C@@H](C(=O)Nc2cccnc2C)C1 ZINC000091497007 383968915 /nfs/dbraw/zinc/96/89/15/383968915.db2.gz JWBAMAPWHMIUEL-MWLCHTKSSA-N 1 0 235.287 0.705 10 0 BCAERO Nc1nc2ccc(C(=O)N3CC[NH2+]CC3)cc2o1 ZINC000068593790 384001585 /nfs/dbraw/zinc/00/15/85/384001585.db2.gz CVQHKIDIDQIVKM-UHFFFAOYSA-N 1 0 246.270 0.455 10 0 BCAERO C[C@@H]1CCCN(C(=O)[C@H]2C[NH2+]CCOC2)C1 ZINC000643614538 384016272 /nfs/dbraw/zinc/01/62/72/384016272.db2.gz BFGLOEACLCYXIY-MNOVXSKESA-N 1 0 226.320 0.481 10 0 BCAERO CCN(CC)C(=O)[C@@H]1C[NH2+]CCOC1 ZINC000643614925 384017219 /nfs/dbraw/zinc/01/72/19/384017219.db2.gz QOCPDHQAOGHBDO-SECBINFHSA-N 1 0 200.282 0.091 10 0 BCAERO COC[C@]1(C(=O)NC2CCCC2)CCC[NH2+]1 ZINC000643616271 384005286 /nfs/dbraw/zinc/00/52/86/384005286.db2.gz PQXRSHJMCXDEIZ-LBPRGKRZSA-N 1 0 226.320 0.814 10 0 BCAERO CC(C)CCNC(=O)[C@@H]1C[NH2+]CCOC1 ZINC000643615634 384005339 /nfs/dbraw/zinc/00/53/39/384005339.db2.gz SCNDVUSZYQFQPY-SNVBAGLBSA-N 1 0 214.309 0.385 10 0 BCAERO C[C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[NH2+]CCOC1 ZINC000643617149 384008973 /nfs/dbraw/zinc/00/89/73/384008973.db2.gz SDVOOGAPEAYNIQ-GRYCIOLGSA-N 1 0 240.347 0.917 10 0 BCAERO CCCN(CC1CC1)C(=O)[C@H]1C[NH2+]CCOC1 ZINC000643616737 384009214 /nfs/dbraw/zinc/00/92/14/384009214.db2.gz FVZZEMDCBKETMW-LBPRGKRZSA-N 1 0 240.347 0.871 10 0 BCAERO Cc1n[nH]c(C)c1NC(=O)[C@H]1C[NH2+]CCOC1 ZINC000643618031 384012904 /nfs/dbraw/zinc/01/29/04/384012904.db2.gz ZFTNHVGJUJLBSH-VIFPVBQESA-N 1 0 238.291 0.201 10 0 BCAERO Cc1cnn(CCNC(=O)[C@@H]2CCCC[NH2+]2)c1 ZINC000235939766 384071102 /nfs/dbraw/zinc/07/11/02/384071102.db2.gz YOHMRGNGWJSEBP-NSHDSACASA-N 1 0 236.319 0.450 10 0 BCAERO CC1CC(NC(=O)[C@@H]2C[NH2+]CCOC2)C1 ZINC000643704844 384108263 /nfs/dbraw/zinc/10/82/63/384108263.db2.gz BJKHJBBCLXDIJD-HWOCKDDLSA-N 1 0 212.293 0.137 10 0 BCAERO COC[C@]1(C(=O)NC2CC(C)C2)CCC[NH2+]1 ZINC000643705239 384110925 /nfs/dbraw/zinc/11/09/25/384110925.db2.gz MBNUMQNQUNKKLN-CBINBANVSA-N 1 0 226.320 0.670 10 0 BCAERO Nc1cnn(CC[NH+]2CCSCC2)c1 ZINC000050614638 384111159 /nfs/dbraw/zinc/11/11/59/384111159.db2.gz AKHPUCLVQGROKJ-UHFFFAOYSA-N 1 0 212.322 0.514 10 0 BCAERO O=C(NC[C@H]1CCCS1)[C@@H]1C[NH2+]CCOC1 ZINC000643704889 384111419 /nfs/dbraw/zinc/11/14/19/384111419.db2.gz CQHSFQHEDOUAHZ-NXEZZACHSA-N 1 0 244.360 0.234 10 0 BCAERO N[C@H](C(=O)OCc1ccccc1)[C@H]1CC[NH2+]C1 ZINC000091364536 384123527 /nfs/dbraw/zinc/12/35/27/384123527.db2.gz CUTCHFVLAUIOSV-RYUDHWBXSA-N 1 0 234.299 0.667 10 0 BCAERO C[C@@H]1CC[C@H](C)N(C(=O)[C@@H]2C[NH2+]CCOC2)C1 ZINC000643706364 384127497 /nfs/dbraw/zinc/12/74/97/384127497.db2.gz USAFBSDXRCDBOP-GRYCIOLGSA-N 1 0 240.347 0.869 10 0 BCAERO Cn1cc([C@H]2CC[N@H+](CC(C)(C)O)C2)cn1 ZINC000116310016 384127886 /nfs/dbraw/zinc/12/78/86/384127886.db2.gz WYADFIHRAQIWIR-JTQLQIEISA-N 1 0 223.320 0.980 10 0 BCAERO CC[C@@H]1C[C@@H](C)CN1C(=O)[C@@H]1C[NH2+]CCOC1 ZINC000643706416 384128336 /nfs/dbraw/zinc/12/83/36/384128336.db2.gz WLCKNTRYBWVFIW-IJLUTSLNSA-N 1 0 240.347 0.869 10 0 BCAERO C[C@@H]1OCC[C@@H]1[NH2+]C[C@H](O)CN(C)C1CC1 ZINC000309454704 384168652 /nfs/dbraw/zinc/16/86/52/384168652.db2.gz QQNUBSUUHICSOG-DLOVCJGASA-N 1 0 228.336 0.209 10 0 BCAERO O=C(NCCCC1CC1)[C@@H]1C[NH2+]CCOC1 ZINC000643710076 384169846 /nfs/dbraw/zinc/16/98/46/384169846.db2.gz SQLBQOXRIAQULJ-LLVKDONJSA-N 1 0 226.320 0.529 10 0 BCAERO Cn1ccs/c1=N\C(=O)C[C@@H]1CCC[NH2+]1 ZINC000163230384 384180578 /nfs/dbraw/zinc/18/05/78/384180578.db2.gz LJWADDROOCDZSH-UGFBRPNYSA-N 1 0 225.317 0.656 10 0 BCAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)c1n[nH]c2c1CCCC2 ZINC000643590733 384181790 /nfs/dbraw/zinc/18/17/90/384181790.db2.gz WLZYNMDNOZITRX-SCZZXKLOSA-N 1 0 248.330 0.850 10 0 BCAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)c1n[nH]c2c1CCCC2 ZINC000643590732 384182888 /nfs/dbraw/zinc/18/28/88/384182888.db2.gz WLZYNMDNOZITRX-PSASIEDQSA-N 1 0 248.330 0.850 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N[C@H](C)[C@@H](C)CO ZINC000163235471 384183808 /nfs/dbraw/zinc/18/38/08/384183808.db2.gz NPJOIHZGAAKBLQ-YIZRAAEISA-N 1 0 202.298 0.247 10 0 BCAERO C[C@@H]1CCC[C@@H](NC(=O)[C@H]2C[NH2+]CCOC2)C1 ZINC000643633819 384206934 /nfs/dbraw/zinc/20/69/34/384206934.db2.gz SEPBELHLRKATMJ-GRYCIOLGSA-N 1 0 240.347 0.917 10 0 BCAERO CCC[C@H]([NH3+])C(=O)NC[C@H](O)C(C)C ZINC000163246159 384189058 /nfs/dbraw/zinc/18/90/58/384189058.db2.gz WCYMSJCJCKWECD-IUCAKERBSA-N 1 0 202.298 0.247 10 0 BCAERO COC[C@]1(C(=O)N2CCSCC2)CCC[NH2+]1 ZINC000643628359 384189518 /nfs/dbraw/zinc/18/95/18/384189518.db2.gz QYPKEWXHJMHDPT-NSHDSACASA-N 1 0 244.360 0.330 10 0 BCAERO COC[C@@]1(C(=O)Nc2ccnn2C)CCC[NH2+]1 ZINC000643629632 384192866 /nfs/dbraw/zinc/19/28/66/384192866.db2.gz SLFSKUDJTRUSCO-LLVKDONJSA-N 1 0 238.291 0.127 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N[C@@H](CC)CCO ZINC000163257975 384195567 /nfs/dbraw/zinc/19/55/67/384195567.db2.gz VVEUTIPMJKEMOD-IUCAKERBSA-N 1 0 202.298 0.391 10 0 BCAERO CO[C@H]1C[NH2+]C[C@H]1Nc1nc(C)cs1 ZINC000036268057 384198407 /nfs/dbraw/zinc/19/84/07/384198407.db2.gz UEUMLXLFCYFIKB-SFYZADRCSA-N 1 0 213.306 0.850 10 0 BCAERO CSCC[C@@H]([NH3+])C(=O)NCc1ccoc1 ZINC000163660930 384200601 /nfs/dbraw/zinc/20/06/01/384200601.db2.gz XHDDYXZYTCVUJU-SECBINFHSA-N 1 0 228.317 0.976 10 0 BCAERO COC[C@@]1(C(=O)NCC2(C)CC2)CCC[NH2+]1 ZINC000643713576 384231411 /nfs/dbraw/zinc/23/14/11/384231411.db2.gz XTZTYTSCQZTLNR-GFCCVEGCSA-N 1 0 226.320 0.671 10 0 BCAERO Cc1ccc(O)c(C[NH2+][C@H]2CCC(=O)N[C@@H]2C)n1 ZINC000282334353 384236427 /nfs/dbraw/zinc/23/64/27/384236427.db2.gz LTBHPPZMPLZTOF-ZJUUUORDSA-N 1 0 249.314 0.852 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1ccnn1C ZINC000082559914 384237025 /nfs/dbraw/zinc/23/70/25/384237025.db2.gz GFZCEGLWNSHSCX-HTQZYQBOSA-N 1 0 208.265 0.214 10 0 BCAERO COCCCN(C)C(=O)[C@H]1C[NH2+]C[C@@H]1C ZINC000082560129 384237088 /nfs/dbraw/zinc/23/70/88/384237088.db2.gz JFIURTCVWRJSTP-UWVGGRQHSA-N 1 0 214.309 0.337 10 0 BCAERO C[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C)c1cnn(C)c1 ZINC000282325790 384237582 /nfs/dbraw/zinc/23/75/82/384237582.db2.gz NWDWBVLXLNCRER-ATZCPNFKSA-N 1 0 236.319 0.738 10 0 BCAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]Cc1ccncc1 ZINC000282327499 384238298 /nfs/dbraw/zinc/23/82/98/384238298.db2.gz LIZFXHQMTXQSBY-ONGXEEELSA-N 1 0 219.288 0.838 10 0 BCAERO CC(C)CCN(C)C(=O)[C@H]1C[NH2+]CCOC1 ZINC000643634790 384212131 /nfs/dbraw/zinc/21/21/31/384212131.db2.gz GTZSEACMNBSDCR-NSHDSACASA-N 1 0 228.336 0.727 10 0 BCAERO O=C(C1CC(F)(F)C1)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000644165157 384242871 /nfs/dbraw/zinc/24/28/71/384242871.db2.gz JLZVTGCPJPFHGI-DTWKUNHWSA-N 1 0 246.257 0.231 10 0 BCAERO CC[C@@H]1CN([C@@H](C)COC)CC[N@@H+]1C[C@@H](C)O ZINC000173677225 384246016 /nfs/dbraw/zinc/24/60/16/384246016.db2.gz KQNHTKITLCQYRA-YNEHKIRRSA-N 1 0 244.379 0.798 10 0 BCAERO COC(C)(C)CNC(=O)[C@H]1CCC[NH2+]C1 ZINC000133419076 384246497 /nfs/dbraw/zinc/24/64/97/384246497.db2.gz WJQODBMQSALORV-VIFPVBQESA-N 1 0 214.309 0.527 10 0 BCAERO Cc1cnn(CC[NH2+][C@@H]2CO[C@H](C)C2)c1 ZINC000401909272 384248343 /nfs/dbraw/zinc/24/83/43/384248343.db2.gz JLQBCIWVFCFAGG-MNOVXSKESA-N 1 0 209.293 0.959 10 0 BCAERO Cc1cc(C(=O)N2CCC[C@H]2C[NH3+])on1 ZINC000082640902 384253832 /nfs/dbraw/zinc/25/38/32/384253832.db2.gz ISSPYFVNGGWGDZ-QMMMGPOBSA-N 1 0 209.249 0.546 10 0 BCAERO C[C@@H]1CN2CCCC[C@@H]2C[N@@H+]1CCCO ZINC000082725344 384259582 /nfs/dbraw/zinc/25/95/82/384259582.db2.gz LHNKNYITSCLDGW-VXGBXAGGSA-N 1 0 212.337 0.927 10 0 BCAERO C[C@H]([NH2+][C@H]1CCC(=O)N[C@@H]1C)c1ccnn1C ZINC000282391988 384260297 /nfs/dbraw/zinc/26/02/97/384260297.db2.gz RDXVPKXYKHSMRE-UTLUCORTSA-N 1 0 236.319 0.738 10 0 BCAERO CCc1cc(N2CC[C@@H]3OCC[NH2+][C@H]3C2)ncn1 ZINC000404083941 384266221 /nfs/dbraw/zinc/26/62/21/384266221.db2.gz QMJXTIZZVMCPNQ-RYUDHWBXSA-N 1 0 248.330 0.606 10 0 BCAERO COC[C@@]1(C(=O)Nc2cnn(C)c2)CCC[NH2+]1 ZINC000643641566 384268467 /nfs/dbraw/zinc/26/84/67/384268467.db2.gz FLDXDPMLBDVFLS-LLVKDONJSA-N 1 0 238.291 0.127 10 0 BCAERO C[C@H]1[C@H]([NH3+])CCN1C(=O)c1ccncc1 ZINC000335552863 384321008 /nfs/dbraw/zinc/32/10/08/384321008.db2.gz LDHIJMRAYIQJAX-WCBMZHEXSA-N 1 0 205.261 0.643 10 0 BCAERO CCN(CC(C)C)C(=O)[C@@H]1C[NH2+]CCOC1 ZINC000643644188 384281196 /nfs/dbraw/zinc/28/11/96/384281196.db2.gz KKKIQURPEFMVLV-LLVKDONJSA-N 1 0 228.336 0.727 10 0 BCAERO COC(=O)CCCN1C[C@H](C)[C@H]([NH3+])C1 ZINC000300048147 384284403 /nfs/dbraw/zinc/28/44/03/384284403.db2.gz HWMHSIKBXHHSDJ-DTWKUNHWSA-N 1 0 200.282 0.219 10 0 BCAERO CN(CC1CC[NH2+]CC1)C(=O)c1cnccn1 ZINC000094021994 384286166 /nfs/dbraw/zinc/28/61/66/384286166.db2.gz SMTFXSASUPOCCN-UHFFFAOYSA-N 1 0 234.303 0.548 10 0 BCAERO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1CC(N)=O ZINC000083704331 384321820 /nfs/dbraw/zinc/32/18/20/384321820.db2.gz VPMDLIXHVAPVFE-VHSXEESVSA-N 1 0 211.309 0.030 10 0 BCAERO CCC[C@H](C(=O)NCCCNC(C)=O)[NH+](C)C ZINC000179438971 384292152 /nfs/dbraw/zinc/29/21/52/384292152.db2.gz LGJIAOCVMLERLE-LLVKDONJSA-N 1 0 243.351 0.359 10 0 BCAERO CO[C@]1(C[NH2+]CC[C@@H]2CCCO2)CCOC1 ZINC000159094313 384301288 /nfs/dbraw/zinc/30/12/88/384301288.db2.gz LKVIVHQXRYCHQS-RYUDHWBXSA-N 1 0 229.320 0.951 10 0 BCAERO O=[S@](c1ncc(Cl)cn1)[C@H]1CC[NH2+]C1 ZINC000095070008 384335082 /nfs/dbraw/zinc/33/50/82/384335082.db2.gz OYIIOFOUWRKLCE-JKYUHCHBSA-N 1 0 231.708 0.600 10 0 BCAERO O=[S@@](c1ccnc(Cl)n1)[C@@H]1CCC[NH2+]C1 ZINC000095070097 384335654 /nfs/dbraw/zinc/33/56/54/384335654.db2.gz JAHIGFMTPNRORZ-MLXNANBUSA-N 1 0 245.735 0.990 10 0 BCAERO CN(c1ccnc(Cl)n1)[C@@H]1CC[NH2+]C1 ZINC000095070536 384336981 /nfs/dbraw/zinc/33/69/81/384336981.db2.gz MQTADERDQFSRFG-SSDOTTSWSA-N 1 0 212.684 0.928 10 0 BCAERO CN(c1ncc(Cl)cn1)[C@@H]1CC[NH2+]C1 ZINC000095070538 384337201 /nfs/dbraw/zinc/33/72/01/384337201.db2.gz VXYSWSKVJWWPCY-MRVPVSSYSA-N 1 0 212.684 0.928 10 0 BCAERO Clc1ccc(CN[C@H]2CCC[NH2+]C2)nn1 ZINC000095070485 384337577 /nfs/dbraw/zinc/33/75/77/384337577.db2.gz OJSNTNIHYNUWIG-QMMMGPOBSA-N 1 0 226.711 0.972 10 0 BCAERO CN(C[C@@H]1CCC[NH2+]C1)c1ncccn1 ZINC000095071094 384339467 /nfs/dbraw/zinc/33/94/67/384339467.db2.gz MMGJKIZFVQZRMN-SNVBAGLBSA-N 1 0 206.293 0.912 10 0 BCAERO CN(C[C@H]1CCC[NH2+]1)C(=O)c1cnccn1 ZINC000095070903 384339569 /nfs/dbraw/zinc/33/95/69/384339569.db2.gz MDRDANTXDULYIF-SECBINFHSA-N 1 0 220.276 0.301 10 0 BCAERO O=[S@@](C[C@@H]1CCC[NH2+]1)c1ncc(F)cn1 ZINC000095072002 384340530 /nfs/dbraw/zinc/34/05/30/384340530.db2.gz TZERVOJFQPKUJG-VXJOIVPMSA-N 1 0 229.280 0.475 10 0 BCAERO COc1nccnc1CN1CC[C@H](C[NH3+])C1 ZINC000095071605 384340660 /nfs/dbraw/zinc/34/06/60/384340660.db2.gz QQPCQWCMXPWYCP-SECBINFHSA-N 1 0 222.292 0.266 10 0 BCAERO COc1nccnc1CNC[C@H]1CCC[NH2+]1 ZINC000095071632 384341158 /nfs/dbraw/zinc/34/11/58/384341158.db2.gz DIIKOAMVSRHPJW-SECBINFHSA-N 1 0 222.292 0.327 10 0 BCAERO CSc1nccnc1CN1CCC[NH2+]CC1 ZINC000095071920 384341284 /nfs/dbraw/zinc/34/12/84/384341284.db2.gz HWLBGKBRWDSSQI-UHFFFAOYSA-N 1 0 238.360 0.994 10 0 BCAERO COc1nccnc1CN1CC[NH2+][C@H](C)C1 ZINC000095071618 384341335 /nfs/dbraw/zinc/34/13/35/384341335.db2.gz LAMVRORPQNDNQJ-SECBINFHSA-N 1 0 222.292 0.279 10 0 BCAERO C[NH2+][C@H]1CCCN(CC(=O)c2ccccn2)C1 ZINC000095071492 384341807 /nfs/dbraw/zinc/34/18/07/384341807.db2.gz ODHJNHGAVJKGPS-NSHDSACASA-N 1 0 233.315 0.948 10 0 BCAERO COc1nccnc1CN[C@H]1CCCC[C@@H]1[NH3+] ZINC000095071625 384342107 /nfs/dbraw/zinc/34/21/07/384342107.db2.gz CYMQKCYXNGQGMT-UWVGGRQHSA-N 1 0 236.319 0.845 10 0 BCAERO [NH3+][C@@H]1CCCN(c2nc3cccnc3[nH]2)C1 ZINC000095072332 384342716 /nfs/dbraw/zinc/34/27/16/384342716.db2.gz JICVVYNRTZBGMB-MRVPVSSYSA-N 1 0 217.276 0.885 10 0 BCAERO [NH3+][C@H]1CCN(Cc2ccc(Cl)nn2)C1 ZINC000095072157 384343050 /nfs/dbraw/zinc/34/30/50/384343050.db2.gz ASZYVMPCHRAYDC-ZETCQYMHSA-N 1 0 212.684 0.663 10 0 BCAERO [NH3+][C@H]1CCCC[C@H]1NCC(=O)c1cnccn1 ZINC000095072263 384343545 /nfs/dbraw/zinc/34/35/45/384343545.db2.gz HYTZHOSFAYNBGC-VHSXEESVSA-N 1 0 234.303 0.519 10 0 BCAERO C[C@H]1C[C@@H]([NH2+]C2CCN(CCO)CC2)CO1 ZINC000401986245 384373717 /nfs/dbraw/zinc/37/37/17/384373717.db2.gz BZEMZVFYDDCBNN-CMPLNLGQSA-N 1 0 228.336 0.210 10 0 BCAERO O=C(CNC[C@@H]1CCC[NH2+]1)c1nccs1 ZINC000095072789 384345112 /nfs/dbraw/zinc/34/51/12/384345112.db2.gz RANAKIFUGNVRNO-QMMMGPOBSA-N 1 0 225.317 0.667 10 0 BCAERO O=S(=O)(Cc1ccncc1)[C@@H]1CC[NH2+]C1 ZINC000095073114 384345275 /nfs/dbraw/zinc/34/52/75/384345275.db2.gz MPXWSIXCYBHILJ-SNVBAGLBSA-N 1 0 226.301 0.358 10 0 BCAERO O=S(=O)(C[C@@H]1CCCC[NH2+]1)c1ncccn1 ZINC000095073149 384345297 /nfs/dbraw/zinc/34/52/97/384345297.db2.gz VYMOJNVBJNOQDH-VIFPVBQESA-N 1 0 241.316 0.392 10 0 BCAERO CCN(C)C(=O)C[N@@H+]1C[C@H](C)C[C@H](O)C1 ZINC000335585686 384345499 /nfs/dbraw/zinc/34/54/99/384345499.db2.gz DWNANEUCIZOZCJ-ZJUUUORDSA-N 1 0 214.309 0.167 10 0 BCAERO O=S(=O)(Cc1ccccn1)C1CC[NH2+]CC1 ZINC000095073082 384345682 /nfs/dbraw/zinc/34/56/82/384345682.db2.gz MYQBYWSLNIKJMR-UHFFFAOYSA-N 1 0 240.328 0.748 10 0 BCAERO O=C(CNC[C@@H]1CCCC[NH2+]1)c1ccc[nH]1 ZINC000095072767 384345859 /nfs/dbraw/zinc/34/58/59/384345859.db2.gz OIWCHKFIARRHAT-JTQLQIEISA-N 1 0 221.304 0.929 10 0 BCAERO O=S(=O)(C[C@@H]1CCCC[NH2+]1)c1ccccn1 ZINC000095073141 384346466 /nfs/dbraw/zinc/34/64/66/384346466.db2.gz OYLDXZJNDDFETF-JTQLQIEISA-N 1 0 240.328 0.997 10 0 BCAERO O=S(=O)(c1ncccn1)[C@@H]1CCC[NH2+]C1 ZINC000095073059 384346479 /nfs/dbraw/zinc/34/64/79/384346479.db2.gz SZPRADDGTSZMPZ-MRVPVSSYSA-N 1 0 227.289 0.002 10 0 BCAERO O=C(CN[C@@H]1CCC[NH2+]C1)c1ccco1 ZINC000095072735 384346541 /nfs/dbraw/zinc/34/65/41/384346541.db2.gz OOKKXQDSMUNWHU-SECBINFHSA-N 1 0 208.261 0.804 10 0 BCAERO Cc1cc(C(=O)N2CCC[C@@H]2C[NH3+])nn1C ZINC000237692757 384346845 /nfs/dbraw/zinc/34/68/45/384346845.db2.gz WXAVRMPMHZTISD-SECBINFHSA-N 1 0 222.292 0.292 10 0 BCAERO O=[S@](Cc1cccnc1)[C@H]1CC[NH2+]C1 ZINC000095073436 384347100 /nfs/dbraw/zinc/34/71/00/384347100.db2.gz XBNXMHPDKSCNSO-HZMBPMFUSA-N 1 0 210.302 0.692 10 0 BCAERO O=[S@](Cc1cncs1)[C@@H]1CC[NH2+]C1 ZINC000095073454 384347169 /nfs/dbraw/zinc/34/71/69/384347169.db2.gz ZAPRZBMKQRHHHJ-OQPBUACISA-N 1 0 216.331 0.754 10 0 BCAERO O=[S@](C[C@@H]1CCC[NH2+]C1)c1ncccn1 ZINC000095073609 384347340 /nfs/dbraw/zinc/34/73/40/384347340.db2.gz VWCGIMUVJUSEKF-PSLIRLAXSA-N 1 0 225.317 0.584 10 0 BCAERO O=[S@@](Cc1ccccn1)[C@H]1CC[NH2+]C1 ZINC000095073427 384347846 /nfs/dbraw/zinc/34/78/46/384347846.db2.gz IGYXCHJBYZUTJQ-IINYFYTJSA-N 1 0 210.302 0.692 10 0 BCAERO O=[S@](C[C@H]1CCC[NH2+]C1)c1ncccn1 ZINC000095073611 384348085 /nfs/dbraw/zinc/34/80/85/384348085.db2.gz VWCGIMUVJUSEKF-VFZGTOFNSA-N 1 0 225.317 0.584 10 0 BCAERO O=[S@](C[C@@H]1CCCC[NH2+]1)c1cnccn1 ZINC000095073485 384348636 /nfs/dbraw/zinc/34/86/36/384348636.db2.gz USPYDELWAIMORL-VFZGTOFNSA-N 1 0 225.317 0.726 10 0 BCAERO COCc1ccccc1NC(=O)[C@H]([NH3+])COC ZINC000159651364 384348815 /nfs/dbraw/zinc/34/88/15/384348815.db2.gz XMLDJBDFCBMALE-SNVBAGLBSA-N 1 0 238.287 0.745 10 0 BCAERO Cc1nccn1CC[N@@H+]1C[C@@H](C)C[C@H](O)C1 ZINC000335589003 384350094 /nfs/dbraw/zinc/35/00/94/384350094.db2.gz KFADBFZWVGCJNT-JQWIXIFHSA-N 1 0 223.320 0.894 10 0 BCAERO O=[S@](Cc1cccnc1)C[C@@H]1CC[NH2+]C1 ZINC000095073692 384350652 /nfs/dbraw/zinc/35/06/52/384350652.db2.gz MJSCWDSGXDUCNV-ABAIWWIYSA-N 1 0 224.329 0.940 10 0 BCAERO [NH3+]C[C@@H]1CCCN1S(=O)(=O)CC1CCC1 ZINC000335586305 384350917 /nfs/dbraw/zinc/35/09/17/384350917.db2.gz IFEIXUGTMZQTEU-JTQLQIEISA-N 1 0 232.349 0.539 10 0 BCAERO O=[S@@](C[C@H]1CC[NH2+]C1)c1ccccn1 ZINC000095073654 384351426 /nfs/dbraw/zinc/35/14/26/384351426.db2.gz WLUGWJLSLWZSMJ-LKFCYVNXSA-N 1 0 210.302 0.799 10 0 BCAERO C[C@@H]1CN(C(=O)C2CCSCC2)C[C@H]1[NH3+] ZINC000335589428 384353810 /nfs/dbraw/zinc/35/38/10/384353810.db2.gz CFFWAPLLASJUEH-PSASIEDQSA-N 1 0 228.361 0.935 10 0 BCAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NCC1(C)COC1 ZINC000335593300 384358559 /nfs/dbraw/zinc/35/85/59/384358559.db2.gz BFRFFQNJITVBHO-UWVGGRQHSA-N 1 0 226.320 0.527 10 0 BCAERO CC(C)[C@@H]([NH3+])C(=O)N1CCC2(CC(CO)C2)C1 ZINC000095087982 384361243 /nfs/dbraw/zinc/36/12/43/384361243.db2.gz VRLQRQHWSBUILH-QWKFWESOSA-N 1 0 240.347 0.591 10 0 BCAERO CN(CC[NH+](C)C)C(=O)c1cccc(N)c1O ZINC000095093166 384363976 /nfs/dbraw/zinc/36/39/76/384363976.db2.gz XCABUJBVVXRQEK-UHFFFAOYSA-N 1 0 237.303 0.608 10 0 BCAERO CN(CC1CC1)C(=O)[C@@H]1C[NH2+]CCOC1 ZINC000643648584 384324236 /nfs/dbraw/zinc/32/42/36/384324236.db2.gz KFPKJOAINDFMDS-SNVBAGLBSA-N 1 0 212.293 0.091 10 0 BCAERO C[C@@H](NC[C@H]1CC[NH2+]C1)c1cnccn1 ZINC000095068395 384329991 /nfs/dbraw/zinc/32/99/91/384329991.db2.gz MVYNNZSHJREIMY-ZJUUUORDSA-N 1 0 206.293 0.737 10 0 BCAERO C[C@H](NC[C@H]1CCC[NH2+]1)c1cnccn1 ZINC000095068366 384331100 /nfs/dbraw/zinc/33/11/00/384331100.db2.gz VNZSPMXIUYMDKI-VHSXEESVSA-N 1 0 206.293 0.879 10 0 BCAERO Cc1cc(C)nc(S(=O)(=O)[C@@H]2CC[NH2+]C2)n1 ZINC000095068833 384331512 /nfs/dbraw/zinc/33/15/12/384331512.db2.gz OUYNKENLYLFCKL-SECBINFHSA-N 1 0 241.316 0.229 10 0 BCAERO Cc1cc(C)nc([S@@](=O)[C@@H]2CC[NH2+]C2)n1 ZINC000095068870 384332241 /nfs/dbraw/zinc/33/22/41/384332241.db2.gz GGCCGANWLQMBDQ-RFAUZJTJSA-N 1 0 225.317 0.563 10 0 BCAERO Cc1cc(C)nc([S@](=O)[C@@H]2CC[NH2+]C2)n1 ZINC000095068871 384332867 /nfs/dbraw/zinc/33/28/67/384332867.db2.gz GGCCGANWLQMBDQ-PSLIRLAXSA-N 1 0 225.317 0.563 10 0 BCAERO Cc1ccnc(S(=O)(=O)C[C@H]2CCC[NH2+]2)n1 ZINC000095069241 384332902 /nfs/dbraw/zinc/33/29/02/384332902.db2.gz VFLDRDCMBJZWBZ-SECBINFHSA-N 1 0 241.316 0.311 10 0 BCAERO O=[S@](C[C@@H]1CC[NH2+]C1)c1ccc(Cl)nn1 ZINC000095069965 384333672 /nfs/dbraw/zinc/33/36/72/384333672.db2.gz JLABBNKKVXBWSC-MLXNANBUSA-N 1 0 245.735 0.847 10 0 BCAERO O=[S@@](C[C@@H]1CCC[NH2+]1)c1ccc(Cl)nn1 ZINC000095069956 384334087 /nfs/dbraw/zinc/33/40/87/384334087.db2.gz FWARZWVNYAILDN-NZFNHWASSA-N 1 0 245.735 0.990 10 0 BCAERO Clc1ccc(CNC[C@H]2CCC[NH2+]2)nn1 ZINC000095069839 384334829 /nfs/dbraw/zinc/33/48/29/384334829.db2.gz VWFHJADDNXJEMY-MRVPVSSYSA-N 1 0 226.711 0.972 10 0 BCAERO O=[S@@](C[C@@H]1CC[NH2+]C1)c1ccnc(Cl)n1 ZINC000095070114 384334839 /nfs/dbraw/zinc/33/48/39/384334839.db2.gz LRABTQHRPSPXCL-KWKYVRJSSA-N 1 0 245.735 0.847 10 0 BCAERO C[NH2+][C@]1(C(N)=O)CCCc2sccc21 ZINC000061329864 384395310 /nfs/dbraw/zinc/39/53/10/384395310.db2.gz ASTKXBLKXBXKLY-SNVBAGLBSA-N 1 0 210.302 0.984 10 0 BCAERO COC[C@H](C)CNC(=O)[C@]1(COC)CCC[NH2+]1 ZINC000643660911 384406731 /nfs/dbraw/zinc/40/67/31/384406731.db2.gz HLLVHJBNWFGRJO-ZYHUDNBSSA-N 1 0 244.335 0.154 10 0 BCAERO CC(CO)(CO)[NH2+]C[C@H]1C[C@@H]2C=C[C@H]1C2 ZINC000096033860 384427007 /nfs/dbraw/zinc/42/70/07/384427007.db2.gz NLLHPZPIRNAXCA-OUAUKWLOSA-N 1 0 211.305 0.532 10 0 BCAERO [NH3+]CCCN1CCN(c2cccnc2)CC1 ZINC000096032932 384421410 /nfs/dbraw/zinc/42/14/10/384421410.db2.gz KCUUHIHTRLQGPF-UHFFFAOYSA-N 1 0 220.320 0.552 10 0 BCAERO C[C@H](CCC1CC1)NC(=O)[C@@H]1C[NH2+]CCOC1 ZINC000643791737 384432286 /nfs/dbraw/zinc/43/22/86/384432286.db2.gz KQZDOMKCNCYIFQ-ZYHUDNBSSA-N 1 0 240.347 0.917 10 0 BCAERO C[C@@H](CCC1CC1)NC(=O)[C@H]1C[NH2+]CCOC1 ZINC000643791735 384432593 /nfs/dbraw/zinc/43/25/93/384432593.db2.gz KQZDOMKCNCYIFQ-JQWIXIFHSA-N 1 0 240.347 0.917 10 0 BCAERO COCCCCCNC(=O)[C@@H]1C[NH2+]CCOC1 ZINC000643665514 384435801 /nfs/dbraw/zinc/43/58/01/384435801.db2.gz FXVJKHWNVQLJQJ-LLVKDONJSA-N 1 0 244.335 0.155 10 0 BCAERO COCCCCCNC(=O)[C@H]1C[NH2+]CCOC1 ZINC000643665515 384436203 /nfs/dbraw/zinc/43/62/03/384436203.db2.gz FXVJKHWNVQLJQJ-NSHDSACASA-N 1 0 244.335 0.155 10 0 BCAERO CC[N@@H+]1CCC[C@@H]1CN(C)S(=O)(=O)N(C)C ZINC000175398406 384436930 /nfs/dbraw/zinc/43/69/30/384436930.db2.gz QXFCHHBUKZJSQF-SNVBAGLBSA-N 1 0 249.380 0.209 10 0 BCAERO C[C@@H]1CCCN(C(=O)[C@H]2C[NH2+]CCOC2)CC1 ZINC000643665718 384439161 /nfs/dbraw/zinc/43/91/61/384439161.db2.gz VWLPUXSDHICZJN-NEPJUHHUSA-N 1 0 240.347 0.871 10 0 BCAERO O=C(Nc1ccc2c(c1)C[NH2+]C2)[C@H]1CNC(=O)C1 ZINC000335662024 384467325 /nfs/dbraw/zinc/46/73/25/384467325.db2.gz BKVPYWHTPGASJJ-SNVBAGLBSA-N 1 0 245.282 0.364 10 0 BCAERO C[C@@H]([NH2+]C1CC1)C(=O)N1CCOC[C@H]1C ZINC000335662439 384468583 /nfs/dbraw/zinc/46/85/83/384468583.db2.gz ITDKETARKSWORF-RKDXNWHRSA-N 1 0 212.293 0.374 10 0 BCAERO CO[C@H](CNC(=O)[C@@H]1C[NH2+]CCOC1)C(C)C ZINC000643726156 384475765 /nfs/dbraw/zinc/47/57/65/384475765.db2.gz KFQUNNIUSVZTMV-GHMZBOCLSA-N 1 0 244.335 0.010 10 0 BCAERO [NH3+][C@@H]1C[C@H]2CO[C@H](c3ccccc3)N2C1=O ZINC000380408191 384477338 /nfs/dbraw/zinc/47/73/38/384477338.db2.gz KQVNEAOYXCZUTI-HOSYDEDBSA-N 1 0 218.256 0.644 10 0 BCAERO Cc1csc(C[NH2+]C[C@H]2CN(C)CCO2)n1 ZINC000079055228 384481965 /nfs/dbraw/zinc/48/19/65/384481965.db2.gz UIQBPAQNVXDTTM-JTQLQIEISA-N 1 0 241.360 0.872 10 0 BCAERO Cn1cncc1[C@H]1[C@@H](C[NH3+])CCCN1C ZINC000085168900 384507317 /nfs/dbraw/zinc/50/73/17/384507317.db2.gz BNYHESMNDBMAIR-MWLCHTKSSA-N 1 0 208.309 0.762 10 0 BCAERO COCC[C@@H](C)NC(=O)[C@@]1(COC)CCC[NH2+]1 ZINC000643672199 384509635 /nfs/dbraw/zinc/50/96/35/384509635.db2.gz HTRJQDLGIBWIMN-PWSUYJOCSA-N 1 0 244.335 0.296 10 0 BCAERO C[C@H]([NH3+])[C@H](C)C(=O)N1[C@H](C)COC[C@H]1C ZINC000249111631 384489376 /nfs/dbraw/zinc/48/93/76/384489376.db2.gz VXVVLXHDQRIBAA-IMSYWVGJSA-N 1 0 214.309 0.606 10 0 BCAERO [NH3+]Cc1cn(CCC[C@H]2CCOC2)nn1 ZINC000400599927 384514727 /nfs/dbraw/zinc/51/47/27/384514727.db2.gz CRGKBQBDAXCJCW-VIFPVBQESA-N 1 0 210.281 0.554 10 0 BCAERO C[C@@H]1CCCCN(C(=O)[C@H]2C[NH2+]CCOC2)C1 ZINC000643793903 384516928 /nfs/dbraw/zinc/51/69/28/384516928.db2.gz IJYOQXLBTZEKPD-NEPJUHHUSA-N 1 0 240.347 0.871 10 0 BCAERO C[C@@H]1C[C@@H](C)N(C(=O)[C@H]2CCCO2)C[C@@H]1C[NH3+] ZINC000397342478 384519031 /nfs/dbraw/zinc/51/90/31/384519031.db2.gz QPFODKBRQAKBOI-WISYIIOYSA-N 1 0 240.347 0.997 10 0 BCAERO C[NH+](C)[C@H]1CCN(C(=O)CC[C@H]2CCOC2)C1 ZINC000175979209 384520994 /nfs/dbraw/zinc/52/09/94/384520994.db2.gz XZHCBONDMMZOTF-RYUDHWBXSA-N 1 0 240.347 0.966 10 0 BCAERO CN1CCO[C@H](C[NH2+]C2CCOCC2)C1 ZINC000085444918 384525522 /nfs/dbraw/zinc/52/55/22/384525522.db2.gz UGSVOGKAFHUDLH-LLVKDONJSA-N 1 0 214.309 0.086 10 0 BCAERO COc1c(C[NH2+][C@H](C)CCCO)c(C)nn1C ZINC000123020712 384528750 /nfs/dbraw/zinc/52/87/50/384528750.db2.gz KDZAKGKDKADJIE-SECBINFHSA-N 1 0 241.335 0.988 10 0 BCAERO C[C@@H]([NH3+])[C@@H](N)C(=O)OCc1ccccc1 ZINC000137413274 384530835 /nfs/dbraw/zinc/53/08/35/384530835.db2.gz YHTSGFDJWKYMJK-PSASIEDQSA-N 1 0 208.261 0.404 10 0 BCAERO C[C@H](N[C@@H]1C[N@H+](C)C[C@H]1C)c1ncnn1C ZINC000309584481 384561572 /nfs/dbraw/zinc/56/15/72/384561572.db2.gz RJNAQOHADHAWEA-KXUCPTDWSA-N 1 0 223.324 0.416 10 0 BCAERO CS(=O)(=O)c1ccc([C@H]([NH3+])CCO)cc1 ZINC000044233665 384538847 /nfs/dbraw/zinc/53/88/47/384538847.db2.gz MFRMLJPOVFGFHD-SNVBAGLBSA-N 1 0 229.301 0.472 10 0 BCAERO CC(C)(C)[C@@H](O)Cn1cc(CCCC[NH3+])nn1 ZINC000306052532 384570320 /nfs/dbraw/zinc/57/03/20/384570320.db2.gz SVMMUAKGGTWMIR-NSHDSACASA-N 1 0 240.351 0.967 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N1CC[C@H](COCC)C1 ZINC000236809410 384574283 /nfs/dbraw/zinc/57/42/83/384574283.db2.gz ADSHDYWMPBMEHB-QWRGUYRKSA-N 1 0 228.336 0.999 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N1CC[C@@H](COCC)C1 ZINC000236808789 384574355 /nfs/dbraw/zinc/57/43/55/384574355.db2.gz ADSHDYWMPBMEHB-MNOVXSKESA-N 1 0 228.336 0.999 10 0 BCAERO C[C@H]([NH2+]CC(=O)N(C)C)c1ccncc1 ZINC000097922807 384579469 /nfs/dbraw/zinc/57/94/69/384579469.db2.gz CABGSKBCDCDOMS-VIFPVBQESA-N 1 0 207.277 0.820 10 0 BCAERO [NH3+]C[C@H]1CCN(CC(=O)c2ccc[nH]2)C1 ZINC000050250191 384611998 /nfs/dbraw/zinc/61/19/98/384611998.db2.gz LAOAVTQZZDKSGU-SECBINFHSA-N 1 0 207.277 0.478 10 0 BCAERO CCSCC[NH2+][C@@H]1CCC(=O)N[C@H]1C ZINC000336651117 384616093 /nfs/dbraw/zinc/61/60/93/384616093.db2.gz JLPZQOIGCRVYMR-DTWKUNHWSA-N 1 0 216.350 0.996 10 0 BCAERO CC[NH+](CC)CCNC(=O)[C@H](C)COC ZINC000103519955 384628399 /nfs/dbraw/zinc/62/83/99/384628399.db2.gz XXWNAAOTEOUFCH-SNVBAGLBSA-N 1 0 216.325 0.727 10 0 BCAERO [NH3+][C@H]1CC[C@H](NC(=O)c2cnccn2)CC1 ZINC000100267837 384628868 /nfs/dbraw/zinc/62/88/68/384628868.db2.gz BYWWGKIEACKGCH-DTORHVGOSA-N 1 0 220.276 0.476 10 0 BCAERO CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)COC ZINC000103519719 384629833 /nfs/dbraw/zinc/62/98/33/384629833.db2.gz MBHDMVDKSNVPPS-WDEREUQCSA-N 1 0 228.336 0.869 10 0 BCAERO [NH3+]Cc1cc(C(=O)N2CCC(=O)CC2)ccn1 ZINC000098096449 384593552 /nfs/dbraw/zinc/59/35/52/384593552.db2.gz FKCZITQIWWPDQS-UHFFFAOYSA-N 1 0 233.271 0.345 10 0 BCAERO [NH3+][C@@H]1CCCN(CC(=O)c2ccco2)C1 ZINC000050149805 384596424 /nfs/dbraw/zinc/59/64/24/384596424.db2.gz WBOQFAWASRTABV-SECBINFHSA-N 1 0 208.261 0.885 10 0 BCAERO CC1(C)NC(=O)CC[C@@H]1[NH2+]Cc1ccno1 ZINC000309778133 384602428 /nfs/dbraw/zinc/60/24/28/384602428.db2.gz MFOLZBZRBFMCGQ-VIFPVBQESA-N 1 0 223.276 0.821 10 0 BCAERO CC[C@](C)(CO)[NH2+]Cc1cnn(C)c1C ZINC000086552135 384663493 /nfs/dbraw/zinc/66/34/93/384663493.db2.gz AZRDIIQZERIVJB-LLVKDONJSA-N 1 0 211.309 0.979 10 0 BCAERO [NH3+][C@@H]1CCn2c1nc1ccc(F)cc1c2=O ZINC000100654220 384649668 /nfs/dbraw/zinc/64/96/68/384649668.db2.gz MXGZGLAPRYAQQK-MRVPVSSYSA-N 1 0 219.219 0.939 10 0 BCAERO CCO[C@@H]1COCC[C@@H]1[NH2+]C[C@](C)(O)CC ZINC000309618095 384657063 /nfs/dbraw/zinc/65/70/63/384657063.db2.gz DJLCFYUQEVMYMW-QJPTWQEYSA-N 1 0 231.336 0.931 10 0 BCAERO C[NH+](C)[C@@H]1CCN(C(=O)c2ccc[nH]2)C1 ZINC000082277524 384658844 /nfs/dbraw/zinc/65/88/44/384658844.db2.gz PRIAROXKZDCPIR-SECBINFHSA-N 1 0 207.277 0.791 10 0 BCAERO C[NH+](C)[C@H]1CCN(C(=O)c2cccnc2)C1 ZINC000082278865 384660346 /nfs/dbraw/zinc/66/03/46/384660346.db2.gz FSERBMOUDQRSRY-NSHDSACASA-N 1 0 219.288 0.858 10 0 BCAERO C[NH+](C)[C@@H]1CCN(C(=O)c2cnccn2)C1 ZINC000082279141 384660416 /nfs/dbraw/zinc/66/04/16/384660416.db2.gz BRHRYWVSIUGMJM-SECBINFHSA-N 1 0 220.276 0.253 10 0 BCAERO CC(C)OCCS(=O)(=O)NCC[C@@H](C)[NH3+] ZINC000086559723 384662820 /nfs/dbraw/zinc/66/28/20/384662820.db2.gz SUWAJWGDPSIUEN-SECBINFHSA-N 1 0 238.353 0.068 10 0 BCAERO C[C@@H]1C[C@@H](O)C[N@H+](CCc2cn[nH]c2)C1 ZINC000334797660 384724292 /nfs/dbraw/zinc/72/42/92/384724292.db2.gz JIBKMAGDJNZFTH-MWLCHTKSSA-N 1 0 209.293 0.655 10 0 BCAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)c1cccnc1 ZINC000335913183 384677164 /nfs/dbraw/zinc/67/71/64/384677164.db2.gz OKNUIFPUFLKLAK-PSASIEDQSA-N 1 0 205.261 0.643 10 0 BCAERO CC[C@H]([NH2+]CCS(=O)(=O)NC)C(C)(C)C ZINC000336659082 384681132 /nfs/dbraw/zinc/68/11/32/384681132.db2.gz BLIKUONCAIVAOW-VIFPVBQESA-N 1 0 236.381 0.950 10 0 BCAERO C[C@@H]([NH2+]CC(N)=O)c1ccc2c(c1)OCCO2 ZINC000021966898 384711857 /nfs/dbraw/zinc/71/18/57/384711857.db2.gz CCPKFHYMFPVVJM-MRVPVSSYSA-N 1 0 236.271 0.594 10 0 BCAERO C[C@@H](O)CCCN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000086933243 384721568 /nfs/dbraw/zinc/72/15/68/384721568.db2.gz ZUQQMZFUYCDOOO-VXGBXAGGSA-N 1 0 212.337 0.927 10 0 BCAERO [NH3+][C@H](CO)Cc1ccc(Br)o1 ZINC000044464433 384734771 /nfs/dbraw/zinc/73/47/71/384734771.db2.gz AEZPVFIUAPNDKN-YFKPBYRVSA-N 1 0 220.066 0.904 10 0 BCAERO c1csc(CN2CCO[C@@H]3C[NH2+]C[C@@H]32)c1 ZINC000334822200 384737898 /nfs/dbraw/zinc/73/78/98/384737898.db2.gz VLMGPEHJXOFXPA-WDEREUQCSA-N 1 0 224.329 0.921 10 0 BCAERO CC(C)[C@@H](Cn1cccn1)[NH2+]CCn1cncn1 ZINC000294340078 384768806 /nfs/dbraw/zinc/76/88/06/384768806.db2.gz YJFYACNREYASEQ-GFCCVEGCSA-N 1 0 248.334 0.789 10 0 BCAERO C[C@@H](O)[C@H]1C[NH2+]CCN1Cc1ccccc1 ZINC000082365000 384770627 /nfs/dbraw/zinc/77/06/27/384770627.db2.gz YKKYMWBFTVIDFV-DGCLKSJQSA-N 1 0 220.316 0.841 10 0 BCAERO C[C@@H]([NH2+]C[C@H](O)C(C)(C)C)[C@H](C)CO ZINC000308507834 384771208 /nfs/dbraw/zinc/77/12/08/384771208.db2.gz APQNAIXZWXHCIZ-BBBLOLIVSA-N 1 0 203.326 1.000 10 0 BCAERO CC[C@H]1C[N@H+](CC(C)(C)O)CCN1CCOC ZINC000105903080 384817106 /nfs/dbraw/zinc/81/71/06/384817106.db2.gz HKLXCRZEVNNJDX-LBPRGKRZSA-N 1 0 244.379 0.800 10 0 BCAERO O=C([C@@H]1C[NH2+]CCOC1)N1Cc2ccccc2C1 ZINC000643687370 384818803 /nfs/dbraw/zinc/81/88/03/384818803.db2.gz LSNRTPMVZSJCEA-CYBMUJFWSA-N 1 0 246.310 0.765 10 0 BCAERO CO[C@H](C)C[NH2+][C@@H]1CCC(=O)N[C@H]1C ZINC000308574694 384823667 /nfs/dbraw/zinc/82/36/67/384823667.db2.gz DAVALQLTJUYYJK-HRDYMLBCSA-N 1 0 200.282 0.278 10 0 BCAERO COC[C@]1(C(=O)N[C@H]2CO[C@@H](C)C2)CCC[NH2+]1 ZINC000648204597 384837981 /nfs/dbraw/zinc/83/79/81/384837981.db2.gz BOFBKLYBBLHVMF-UMNHJUIQSA-N 1 0 242.319 0.049 10 0 BCAERO O=C(CC(F)(F)F)NC1CC[NH2+]CC1 ZINC000022176090 384783830 /nfs/dbraw/zinc/78/38/30/384783830.db2.gz HIDRYVQCBBMRJK-UHFFFAOYSA-N 1 0 210.199 0.807 10 0 BCAERO COC[C@]1(C(=O)NCC(F)F)CCC[NH2+]1 ZINC000643689063 384835957 /nfs/dbraw/zinc/83/59/57/384835957.db2.gz SMTATKNMYNICSN-VIFPVBQESA-N 1 0 222.235 0.136 10 0 BCAERO [NH3+]CCc1nnc(COc2ccccc2)[nH]1 ZINC000061844045 384792097 /nfs/dbraw/zinc/79/20/97/384792097.db2.gz RVNLELNTVYSXSS-UHFFFAOYSA-N 1 0 218.260 0.885 10 0 BCAERO CC[C@H]1CCCC[C@H]1[NH2+]C(CO)CO ZINC000083691392 384793735 /nfs/dbraw/zinc/79/37/35/384793735.db2.gz MBKDPFWDEKGFCY-GXSJLCMTSA-N 1 0 201.310 0.898 10 0 BCAERO COC[C@@H]([NH3+])C(=O)NC[C@H](C)CC(F)F ZINC000648194068 384812213 /nfs/dbraw/zinc/81/22/13/384812213.db2.gz RVGQLJDTZXZBLL-RNFRBKRXSA-N 1 0 224.251 0.368 10 0 BCAERO C[NH+](C)[C@H]1CCN(C(=O)[C@@H](O)c2ccccc2)C1 ZINC000174584521 384813153 /nfs/dbraw/zinc/81/31/53/384813153.db2.gz NYLWYLUIJFIDRI-STQMWFEESA-N 1 0 248.326 0.883 10 0 BCAERO CC[C@H](C)[C@@H]([NH3+])C(=O)N1CC[C@@H]2OCC[C@@H]2C1 ZINC000648195646 384814111 /nfs/dbraw/zinc/81/41/11/384814111.db2.gz MLKKBTJEVVYIKF-WHOHXGKFSA-N 1 0 240.347 0.997 10 0 BCAERO CO[C@H]1C[C@H](CO)[N@H+](Cc2cccc(O)c2)C1 ZINC000310185652 384885038 /nfs/dbraw/zinc/88/50/38/384885038.db2.gz XLVLTMKVDPVDOC-YPMHNXCESA-N 1 0 237.299 0.974 10 0 BCAERO C[C@@H](O)C[N@@H+]1CCN(Cc2ccccn2)C[C@H]1C ZINC000105911950 384887714 /nfs/dbraw/zinc/88/77/14/384887714.db2.gz XWQACLRIEHAWRS-CHWSQXEVSA-N 1 0 249.358 0.969 10 0 BCAERO Cc1cnn(CC[NH2+][C@@H]2CN(C)C[C@@H]2C)c1 ZINC000309798183 384838344 /nfs/dbraw/zinc/83/83/44/384838344.db2.gz QQDPWWQFPLJFKF-NWDGAFQWSA-N 1 0 222.336 0.731 10 0 BCAERO CCC1(CNC(=O)[C@@H]2C[NH2+]CCOC2)CC1 ZINC000643690007 384839079 /nfs/dbraw/zinc/83/90/79/384839079.db2.gz UTHMWZFWTGHWHM-SNVBAGLBSA-N 1 0 226.320 0.529 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N[C@H]1CCN(C(C)C)C1=O ZINC000236927374 384842566 /nfs/dbraw/zinc/84/25/66/384842566.db2.gz MTJAKFOHRDZBCZ-UWVGGRQHSA-N 1 0 241.335 0.239 10 0 BCAERO [NH3+]C[C@@H]1CCCN1C(=O)c1cn2c(n1)CCCC2 ZINC000335445775 384842622 /nfs/dbraw/zinc/84/26/22/384842622.db2.gz PBGOSGQFADQYBY-JTQLQIEISA-N 1 0 248.330 0.783 10 0 BCAERO CO[C@@H]1C[C@H](CO)[N@H+](CCCn2ccnc2)C1 ZINC000310140549 384853486 /nfs/dbraw/zinc/85/34/86/384853486.db2.gz MXPXWRUJIKSCMH-VXGBXAGGSA-N 1 0 239.319 0.355 10 0 BCAERO CCN(C)C(=O)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000127354220 384856166 /nfs/dbraw/zinc/85/61/66/384856166.db2.gz PXASULJRQHGPCV-SNVBAGLBSA-N 1 0 213.325 0.942 10 0 BCAERO COc1cc(N2C[C@@H](C)[NH2+]C[C@H]2C)ncn1 ZINC000085481415 384949144 /nfs/dbraw/zinc/94/91/44/384949144.db2.gz WUTSIOUTUJZNET-RKDXNWHRSA-N 1 0 222.292 0.672 10 0 BCAERO COC(=O)CN1CCC[C@@H](n2cncn2)C1 ZINC000105923133 384891969 /nfs/dbraw/zinc/89/19/69/384891969.db2.gz MPSNRDAEKICZII-SECBINFHSA-N 1 0 224.264 0.088 10 0 BCAERO COC(=O)CN1CCC[C@H](Cn2cncn2)C1 ZINC000105919586 384892361 /nfs/dbraw/zinc/89/23/61/384892361.db2.gz YURSOKPKGLAMMJ-JTQLQIEISA-N 1 0 238.291 0.163 10 0 BCAERO C[NH+](C)C[C@H]1CN(Cc2cccnc2)CCO1 ZINC000105924369 384892452 /nfs/dbraw/zinc/89/24/52/384892452.db2.gz LKKHEULZJJBZSV-ZDUSSCGKSA-N 1 0 235.331 0.844 10 0 BCAERO COC[C@@]1(C(=O)NC[C@H]2CC2(C)C)CCC[NH2+]1 ZINC000643693290 384897851 /nfs/dbraw/zinc/89/78/51/384897851.db2.gz ITDPQTDSKJCDLM-ZWNOBZJWSA-N 1 0 240.347 0.917 10 0 BCAERO CC(C)NC(=O)N1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC000404115744 384898897 /nfs/dbraw/zinc/89/88/97/384898897.db2.gz CCHYUFAVVIOSJY-ZJUUUORDSA-N 1 0 227.308 0.167 10 0 BCAERO CCN(CC1CC1)C(=O)[C@@H]1C[NH2+]CCOC1 ZINC000643693328 384899438 /nfs/dbraw/zinc/89/94/38/384899438.db2.gz JNXXKILAAQZNLN-LLVKDONJSA-N 1 0 226.320 0.481 10 0 BCAERO CCC(C)(CC)NC(=O)[C@H]1C[NH2+]CCOC1 ZINC000643696249 384914267 /nfs/dbraw/zinc/91/42/67/384914267.db2.gz NHQMSSFETBRQRM-JTQLQIEISA-N 1 0 228.336 0.917 10 0 BCAERO COc1nc(C)cc(NC[C@@H](C)C[NH3+])n1 ZINC000257648104 384920910 /nfs/dbraw/zinc/92/09/10/384920910.db2.gz JEUQHWGUTMZKDE-ZETCQYMHSA-N 1 0 210.281 0.800 10 0 BCAERO O=C1NC[C@H](C[N@H+]2CCCC[C@H]2CCO)O1 ZINC000252389787 384922047 /nfs/dbraw/zinc/92/20/47/384922047.db2.gz LEXVYOZUGCLAQW-VHSXEESVSA-N 1 0 228.292 0.332 10 0 BCAERO C[C@H](C[NH2+]CC[C@@H]1CCCO1)S(C)(=O)=O ZINC000644517422 384929695 /nfs/dbraw/zinc/92/96/95/384929695.db2.gz VTZGFUNPFNNIGR-ZJUUUORDSA-N 1 0 235.349 0.578 10 0 BCAERO O=C(NC[C@H]1CCCS1)NC[C@@H]1CC[NH2+]C1 ZINC000258278754 384931262 /nfs/dbraw/zinc/93/12/62/384931262.db2.gz BQVJLZWOSFGFSV-NXEZZACHSA-N 1 0 243.376 0.791 10 0 BCAERO CCN(CC)C(=O)N1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC000404110709 384970274 /nfs/dbraw/zinc/97/02/74/384970274.db2.gz AOWHLNXOLDEFLI-MNOVXSKESA-N 1 0 241.335 0.511 10 0 BCAERO CCN(C)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1[NH3+] ZINC000058041489 384979871 /nfs/dbraw/zinc/97/98/71/384979871.db2.gz UYSQIPDQTNSPFU-UWVGGRQHSA-N 1 0 243.351 0.885 10 0 BCAERO [NH3+][C@H]1CC[C@@H](C(=O)NCc2cccc(CO)c2)C1 ZINC000226335225 384981737 /nfs/dbraw/zinc/98/17/37/384981737.db2.gz GXOCZFYAPNCCBU-OLZOCXBDSA-N 1 0 248.326 0.923 10 0 BCAERO C[C@H](O)C1CCN(C(=O)[C@@H]([NH3+])C(C)(C)C)CC1 ZINC000226332816 384983604 /nfs/dbraw/zinc/98/36/04/384983604.db2.gz FIAZKLYZMKCGFU-GXSJLCMTSA-N 1 0 242.363 0.979 10 0 BCAERO Cn1nccc1CN1CCO[C@@H](C[NH+](C)C)C1 ZINC000128193823 385010344 /nfs/dbraw/zinc/01/03/44/385010344.db2.gz WVTRELYSSFBWRG-LBPRGKRZSA-N 1 0 238.335 0.183 10 0 BCAERO Cc1cc(C)n(CC(=O)N2CC[C@H]([NH3+])[C@H]2C)n1 ZINC000310424691 385058342 /nfs/dbraw/zinc/05/83/42/385058342.db2.gz ZUSDCVYCJAQXAM-MNOVXSKESA-N 1 0 236.319 0.448 10 0 BCAERO [NH3+][C@@H]1CC[C@@H]2CN(Cc3ccno3)C[C@H]12 ZINC000309011636 385059996 /nfs/dbraw/zinc/05/99/96/385059996.db2.gz XHONWMVPTLQFTR-DVVUODLYSA-N 1 0 207.277 0.844 10 0 BCAERO COC[C@]1(C(=O)NCc2ccco2)CCC[NH2+]1 ZINC000643767652 385036162 /nfs/dbraw/zinc/03/61/62/385036162.db2.gz HKKPIKXYUSGWJR-LBPRGKRZSA-N 1 0 238.287 0.664 10 0 BCAERO COC[C@@]1(C(=O)NCc2ccco2)CCC[NH2+]1 ZINC000643767651 385037187 /nfs/dbraw/zinc/03/71/87/385037187.db2.gz HKKPIKXYUSGWJR-GFCCVEGCSA-N 1 0 238.287 0.664 10 0 BCAERO Cn1nccc1[C@H]1[C@@H]([NH3+])CCC(=O)N1C ZINC000164787229 385042697 /nfs/dbraw/zinc/04/26/97/385042697.db2.gz GECWGZMABPIRPP-OIBJUYFYSA-N 1 0 208.265 0.041 10 0 BCAERO Cn1nccc1[C@H]1[C@H]([NH3+])CCC(=O)N1C ZINC000164787060 385042802 /nfs/dbraw/zinc/04/28/02/385042802.db2.gz GECWGZMABPIRPP-GMSGAONNSA-N 1 0 208.265 0.041 10 0 BCAERO [NH3+]CCN1CCC[C@H](Nc2ccccn2)C1 ZINC000384493473 385137226 /nfs/dbraw/zinc/13/72/26/385137226.db2.gz MMJFIUAGZPUQTC-NSHDSACASA-N 1 0 220.320 0.917 10 0 BCAERO O=C(NC[C@@H]1CC[NH2+]C1)c1ccc2n[nH]nc2c1 ZINC000646967477 385093726 /nfs/dbraw/zinc/09/37/26/385093726.db2.gz UIBBRNNJWVFWDM-MRVPVSSYSA-N 1 0 245.286 0.297 10 0 BCAERO O=C(NC[C@H]1CC[NH2+]C1)c1ccc2n[nH]nc2c1 ZINC000646967478 385093953 /nfs/dbraw/zinc/09/39/53/385093953.db2.gz UIBBRNNJWVFWDM-QMMMGPOBSA-N 1 0 245.286 0.297 10 0 BCAERO CO[C@@H]1C[C@@H](CO)[N@H+](C[C@H]2CCOC2)C1 ZINC000308813158 385182146 /nfs/dbraw/zinc/18/21/46/385182146.db2.gz AFPUEWJKBQYTFN-OUAUKWLOSA-N 1 0 215.293 0.105 10 0 BCAERO C[NH+](C)[C@H]1CCN(C(=O)c2ccnc(F)c2)C1 ZINC000062969404 385199214 /nfs/dbraw/zinc/19/92/14/385199214.db2.gz XAPMZLUTJCGAAM-JTQLQIEISA-N 1 0 237.278 0.997 10 0 BCAERO C[C@H](NC(=O)[C@H]1CC[NH2+]C1)c1cccnc1 ZINC000062112827 385157710 /nfs/dbraw/zinc/15/77/10/385157710.db2.gz UOJKUBHCHCBIFX-ONGXEEELSA-N 1 0 219.288 0.868 10 0 BCAERO CSCC(=O)N1CCCC[C@H]1C[NH3+] ZINC000044541329 385214253 /nfs/dbraw/zinc/21/42/53/385214253.db2.gz PWWKRFCHTMGSJN-QMMMGPOBSA-N 1 0 202.323 0.689 10 0 BCAERO CCC[C@H]([NH3+])C(=O)NC[C@@H](C)C[C@H](C)O ZINC000246733636 385228511 /nfs/dbraw/zinc/22/85/11/385228511.db2.gz OTKDVRYOTJLKJD-GUBZILKMSA-N 1 0 216.325 0.637 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@H](C)CC ZINC000246897740 385252670 /nfs/dbraw/zinc/25/26/70/385252670.db2.gz VMAWAWFCLOAAOD-UTLUCORTSA-N 1 0 243.351 0.533 10 0 BCAERO COC[C@@]1(C(=O)N[C@@H]2C[C@H]3C[C@H]3C2)CCC[NH2+]1 ZINC000643808619 385302348 /nfs/dbraw/zinc/30/23/48/385302348.db2.gz LWERLEXJUMKZDX-LSCVPOLPSA-N 1 0 238.331 0.670 10 0 BCAERO O=C(c1cc[nH]c(=O)c1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000177549235 385261538 /nfs/dbraw/zinc/26/15/38/385261538.db2.gz RHEAFTUWPZCXIZ-NSHDSACASA-N 1 0 247.298 0.295 10 0 BCAERO C[N@H+](CCO)[C@@H]1CCCN(c2cccnn2)C1 ZINC000177708637 385274212 /nfs/dbraw/zinc/27/42/12/385274212.db2.gz NTPTUEFTGSYQIW-LLVKDONJSA-N 1 0 236.319 0.370 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)NC(C)(C)C(=O)OCC ZINC000158220924 385367802 /nfs/dbraw/zinc/36/78/02/385367802.db2.gz UXJSTMJPBULDDI-MRVPVSSYSA-N 1 0 230.308 0.572 10 0 BCAERO C[C@H]([NH3+])[C@H](C)C(=O)NC[C@@H]1CCCC[C@@H]1O ZINC000165501847 385394892 /nfs/dbraw/zinc/39/48/92/385394892.db2.gz VMWFVDHXLLDMIJ-NAKRPEOUSA-N 1 0 228.336 0.637 10 0 BCAERO CCCCCNC(=O)Cn1cc(C[NH3+])nn1 ZINC000169049054 385402867 /nfs/dbraw/zinc/40/28/67/385402867.db2.gz DGVHFRHLPBLONI-UHFFFAOYSA-N 1 0 225.296 0.043 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC[C@]2(CCOC2)C1 ZINC000644055035 385406631 /nfs/dbraw/zinc/40/66/31/385406631.db2.gz VUHIYXDOSDLJDT-WZRBSPASSA-N 1 0 238.331 0.481 10 0 BCAERO C[C@@H]([NH3+])CCNC(=O)c1n[nH]c2c1CCCC2 ZINC000178687624 385408390 /nfs/dbraw/zinc/40/83/90/385408390.db2.gz XKFIAPSVZBDIMZ-MRVPVSSYSA-N 1 0 236.319 0.756 10 0 BCAERO CO[C@@H](C[N@@H+]1CCO[C@@H](CO)C1)C1CC1 ZINC000400254449 385411415 /nfs/dbraw/zinc/41/14/15/385411415.db2.gz DWWXHEILQZVHKP-MNOVXSKESA-N 1 0 215.293 0.105 10 0 BCAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]C[C@@H]1CCOC1 ZINC000309158723 385442100 /nfs/dbraw/zinc/44/21/00/385442100.db2.gz YDOVTZMOEXBMNX-GUBZILKMSA-N 1 0 212.293 0.280 10 0 BCAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]C[C@@H]1CCC=CO1 ZINC000281729331 385447845 /nfs/dbraw/zinc/44/78/45/385447845.db2.gz JFJUCHMJZBIBQC-DCAQKATOSA-N 1 0 224.304 0.936 10 0 BCAERO Cc1ocnc1C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170855424 385450699 /nfs/dbraw/zinc/45/06/99/385450699.db2.gz ZIKNAWKBNQKHNO-SECBINFHSA-N 1 0 223.276 0.759 10 0 BCAERO C[NH+](C)[C@@H]1CCN(C(=O)NCc2cccnc2)C1 ZINC000170861532 385451442 /nfs/dbraw/zinc/45/14/42/385451442.db2.gz WUKKHUHWOMEASL-GFCCVEGCSA-N 1 0 248.330 0.927 10 0 BCAERO Cn1nccc1C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170864278 385451534 /nfs/dbraw/zinc/45/15/34/385451534.db2.gz FIVVUKKXANXTBN-VIFPVBQESA-N 1 0 222.292 0.196 10 0 BCAERO Cn1ccc(C(=O)N2CC[C@@H]([NH+](C)C)C2)cc1=O ZINC000170867649 385451709 /nfs/dbraw/zinc/45/17/09/385451709.db2.gz ZHJDSYZYORCFNN-LLVKDONJSA-N 1 0 249.314 0.161 10 0 BCAERO CCOC(=O)[C@]1(N)CC[N@H+](C)[C@H](C)C1 ZINC000156498555 385454424 /nfs/dbraw/zinc/45/44/24/385454424.db2.gz KXLOAVAULLJHJJ-SCZZXKLOSA-N 1 0 200.282 0.361 10 0 BCAERO COc1cc(C)nc(NC[C@H](C)C[NH3+])n1 ZINC000166488659 385505743 /nfs/dbraw/zinc/50/57/43/385505743.db2.gz RZGQYCXPFCDXKK-SSDOTTSWSA-N 1 0 210.281 0.800 10 0 BCAERO COc1cc(C)nc(NC[C@@H](C)C[NH3+])n1 ZINC000166488534 385506322 /nfs/dbraw/zinc/50/63/22/385506322.db2.gz RZGQYCXPFCDXKK-ZETCQYMHSA-N 1 0 210.281 0.800 10 0 BCAERO COc1cc(C)nc(N[C@H](C)CC[NH3+])n1 ZINC000166490588 385506374 /nfs/dbraw/zinc/50/63/74/385506374.db2.gz RTPRVTYCVWXIIV-SSDOTTSWSA-N 1 0 210.281 0.943 10 0 BCAERO CC(C)S(=O)(=O)[C@H]1CCC[NH2+]CC1 ZINC000258141362 385542327 /nfs/dbraw/zinc/54/23/27/385542327.db2.gz XJLWJGTXRJEBQC-VIFPVBQESA-N 1 0 205.323 0.952 10 0 BCAERO CO[C@@H]1C[C@@H](CO)[N@H+](CC[C@@H]2CCCO2)C1 ZINC000309315646 385527507 /nfs/dbraw/zinc/52/75/07/385527507.db2.gz YRTGOPPMHYOQGU-SDDRHHMPSA-N 1 0 229.320 0.637 10 0 BCAERO COC[C@@H](O)C[N@@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000172103936 385550355 /nfs/dbraw/zinc/55/03/55/385550355.db2.gz NXOJOFWONPGIFA-PWSUYJOCSA-N 1 0 239.319 0.217 10 0 BCAERO COC[C@@H](O)C[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000172103941 385550559 /nfs/dbraw/zinc/55/05/59/385550559.db2.gz NXOJOFWONPGIFA-JQWIXIFHSA-N 1 0 239.319 0.217 10 0 BCAERO C[C@H]([NH2+]CCn1cncn1)c1nccn1C ZINC000309496945 385619049 /nfs/dbraw/zinc/61/90/49/385619049.db2.gz UBLMHZYWRHDBOV-VIFPVBQESA-N 1 0 220.280 0.362 10 0 BCAERO COC(=O)CCN1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000063196043 385612012 /nfs/dbraw/zinc/61/20/12/385612012.db2.gz KLCXGOYCBMFACY-ZJUUUORDSA-N 1 0 214.309 0.751 10 0 BCAERO CC(C)(C)OC(=O)[C@H]1C[C@@H](O)[C@@H]([NH3+])C1 ZINC000307056077 385653080 /nfs/dbraw/zinc/65/30/80/385653080.db2.gz BFNLOKNWCXPVKK-GJMOJQLCSA-N 1 0 201.266 0.426 10 0 BCAERO CC(=O)c1ccc(N2CC[NH2+]CC2)c(N)c1 ZINC000253573664 385684647 /nfs/dbraw/zinc/68/46/47/385684647.db2.gz RRSYOMWOMSDZQP-UHFFFAOYSA-N 1 0 219.288 0.881 10 0 BCAERO CN1C(=S)N=NC1CC1CC[NH2+]CC1 ZINC000253575682 385684788 /nfs/dbraw/zinc/68/47/88/385684788.db2.gz UXEYIPYWXYMVMX-UHFFFAOYSA-N 1 0 212.322 0.646 10 0 BCAERO COC[C@@H](O)C[N@@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000182663709 385693172 /nfs/dbraw/zinc/69/31/72/385693172.db2.gz JHYWUSFFPPEVCV-RYUDHWBXSA-N 1 0 239.319 0.944 10 0 BCAERO COC(=O)C1C(=O)C=C(OC)C(=C=N)[C@H]1O ZINC000211766865 385693781 /nfs/dbraw/zinc/69/37/81/385693781.db2.gz POGQXDIWVQZBAU-SECBINFHSA-N 1 0 225.200 0.051 10 0 BCAERO C[C@H]1[C@H](O)CCC[N@@H+]1CCC(C)(C)O ZINC000307563536 385705321 /nfs/dbraw/zinc/70/53/21/385705321.db2.gz PHLKFIUYGPCBMZ-VHSXEESVSA-N 1 0 201.310 0.993 10 0 BCAERO C[C@H](N[C@@H]1C[N@H+](C)C[C@@H]1C)c1ncnn1C ZINC000309584482 385716582 /nfs/dbraw/zinc/71/65/82/385716582.db2.gz RJNAQOHADHAWEA-LPEHRKFASA-N 1 0 223.324 0.416 10 0 BCAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]Cc1ccc(F)cn1 ZINC000282210534 385740665 /nfs/dbraw/zinc/74/06/65/385740665.db2.gz DIOMRHMEMCESSM-GZMMTYOYSA-N 1 0 237.278 0.977 10 0 BCAERO C[C@@H]([NH2+]CCCC(=O)NC(N)=O)[C@H]1CCCO1 ZINC000183196200 385742895 /nfs/dbraw/zinc/74/28/95/385742895.db2.gz POPZGSRXXQDNPA-RKDXNWHRSA-N 1 0 243.307 0.119 10 0 BCAERO CSC[C@H](O)C[NH2+][C@@H]1CCC(=O)NC1(C)C ZINC000309627386 385756588 /nfs/dbraw/zinc/75/65/88/385756588.db2.gz GBZXJKCZMCXHQG-RKDXNWHRSA-N 1 0 246.376 0.357 10 0 BCAERO Cc1n[nH]cc1CCCNC(=O)[C@H]1CC[NH2+]C1 ZINC000062116737 385761499 /nfs/dbraw/zinc/76/14/99/385761499.db2.gz BUVSGXKOVRIPJO-NSHDSACASA-N 1 0 236.319 0.376 10 0 BCAERO COc1nn(C)cc1N[C@H]1C[N@H+](C)C[C@@H]1C ZINC000336711270 385801007 /nfs/dbraw/zinc/80/10/07/385801007.db2.gz SFOIKVLGGJDVBI-IUCAKERBSA-N 1 0 224.308 0.791 10 0 BCAERO Cc1cnn(C)c1C(=O)C1CC[NH2+]CC1 ZINC000306812490 385805178 /nfs/dbraw/zinc/80/51/78/385805178.db2.gz ZLEKKYYUGNGQMW-UHFFFAOYSA-N 1 0 207.277 0.911 10 0 BCAERO CC[C@H](Cn1cncn1)[NH2+][C@H]1CCO[C@H]1C ZINC000336740743 385811951 /nfs/dbraw/zinc/81/19/51/385811951.db2.gz QKXKBLRDXMOXBL-AXFHLTTASA-N 1 0 224.308 0.824 10 0 BCAERO CS(C)(=O)=NC[C@H]1C[NH2+]CCS1 ZINC000575528289 385850392 /nfs/dbraw/zinc/85/03/92/385850392.db2.gz JDEUSDGCKUYLOG-SSDOTTSWSA-N 1 0 208.352 0.419 10 0 BCAERO C[C@@H]1CC[C@H](N2C[C@H]([NH3+])C2=O)CS1 ZINC000575535092 385902301 /nfs/dbraw/zinc/90/23/01/385902301.db2.gz RIWHGSLOBKNLSG-CSMHCCOUSA-N 1 0 200.307 0.440 10 0 BCAERO Cc1c(CN2C[C@H](C)[NH2+]C[C@H]2C)cnn1C ZINC000250885717 385929651 /nfs/dbraw/zinc/92/96/51/385929651.db2.gz HBHRECCSBKCVFP-VHSXEESVSA-N 1 0 222.336 0.911 10 0 BCAERO CC[C@H]1CCCN(C(=O)[C@@H]([NH3+])COC)C1 ZINC000088002983 385918543 /nfs/dbraw/zinc/91/85/43/385918543.db2.gz UYUPUGDLCYRYGU-UWVGGRQHSA-N 1 0 214.309 0.609 10 0 BCAERO Cc1cnc([C@@H](C)NCC(=O)N2CCC2)o1 ZINC000336726138 385878436 /nfs/dbraw/zinc/87/84/36/385878436.db2.gz BOQYBRUYRSHXQV-SECBINFHSA-N 1 0 223.276 0.866 10 0 BCAERO CCO[C@@H]1COCC[C@H]1[NH2+]CC(C)(C)O ZINC000336748948 385989192 /nfs/dbraw/zinc/98/91/92/385989192.db2.gz DEANSCKNUNTWGI-NXEZZACHSA-N 1 0 217.309 0.541 10 0 BCAERO CCO[C@H]1COCC[C@H]1[NH2+]CC(C)(C)O ZINC000336748954 385990089 /nfs/dbraw/zinc/99/00/89/385990089.db2.gz DEANSCKNUNTWGI-ZJUUUORDSA-N 1 0 217.309 0.541 10 0 BCAERO COC[C@@H](CO)NC(=[NH2+])NCc1ccccc1 ZINC000307132545 385937297 /nfs/dbraw/zinc/93/72/97/385937297.db2.gz IAEIROKOEYTIAO-LLVKDONJSA-N 1 0 237.303 0.308 10 0 BCAERO Cn1cc(-c2cnn(CCC[NH3+])c2)cn1 ZINC000309033374 385941410 /nfs/dbraw/zinc/94/14/10/385941410.db2.gz DDBKVWAALBOVQM-UHFFFAOYSA-N 1 0 205.265 0.632 10 0 BCAERO C[NH+](C)[C@H]1CCN(C(=O)[C@H](N)C(F)(F)F)C1 ZINC000335053490 385951776 /nfs/dbraw/zinc/95/17/76/385951776.db2.gz XKLAVGRCGOPSJW-BQBZGAKWSA-N 1 0 239.241 0.039 10 0 BCAERO CCC[C@@H](C(=O)NC[C@@H](C)OC)[NH+](C)C ZINC000189169565 385960571 /nfs/dbraw/zinc/96/05/71/385960571.db2.gz CIEPLUBEPNUXSS-ZJUUUORDSA-N 1 0 216.325 0.868 10 0 BCAERO CCC[C@@H](C(=O)NC[C@H](C)OC)[NH+](C)C ZINC000189169610 385961196 /nfs/dbraw/zinc/96/11/96/385961196.db2.gz CIEPLUBEPNUXSS-UWVGGRQHSA-N 1 0 216.325 0.868 10 0 BCAERO CC(C)(C)OC(=O)N1C[C@@H]2O[C@H](C[NH3+])C[C@H]2C1 ZINC000261508635 386029145 /nfs/dbraw/zinc/02/91/45/386029145.db2.gz VKZFHDQGLQGCGB-GUBZILKMSA-N 1 0 242.319 0.970 10 0 BCAERO COC(=O)CN1C[C@@H](C)[C@@H]([NH+](C)C)C1 ZINC000124423082 386035951 /nfs/dbraw/zinc/03/59/51/386035951.db2.gz OYBAYFUQODCEOQ-BDAKNGLRSA-N 1 0 200.282 0.041 10 0 BCAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]Cc1ccnn1C ZINC000336728099 386048687 /nfs/dbraw/zinc/04/86/87/386048687.db2.gz CGOZEDFTYTWPBB-WCBMZHEXSA-N 1 0 222.292 0.177 10 0 BCAERO C[NH2+][C@@H](C(N)=O)c1ccc(F)c(F)c1 ZINC000037869874 386105034 /nfs/dbraw/zinc/10/50/34/386105034.db2.gz GPRWWPWZPPYFPF-MRVPVSSYSA-N 1 0 200.188 0.711 10 0 BCAERO Cc1nc(N)nc(N2C[C@@H](C)[C@@H]([NH+](C)C)C2)n1 ZINC000310095045 386095860 /nfs/dbraw/zinc/09/58/60/386095860.db2.gz HQVHIHLWJXYQQH-APPZFPTMSA-N 1 0 236.323 0.149 10 0 BCAERO CCC[C@H](NC(=O)[C@@H]1CCC[C@H]1C[NH3+])C(N)=O ZINC000310397930 386178500 /nfs/dbraw/zinc/17/85/00/386178500.db2.gz IFJZVASSKIJOQG-AEJSXWLSSA-N 1 0 241.335 0.132 10 0 BCAERO [NH3+][C@@H]1CCOC[C@H]1S[C@@H]1CCOC1 ZINC000575576415 386187491 /nfs/dbraw/zinc/18/74/91/386187491.db2.gz SQRHCRBVXBICOI-IWSPIJDZSA-N 1 0 203.307 0.625 10 0 BCAERO CNS(=O)(=O)CC[NH2+][C@H](C)[C@@H]1C[C@H]1C ZINC000322224287 386131688 /nfs/dbraw/zinc/13/16/88/386131688.db2.gz XZJYCXOACAJQCG-IWSPIJDZSA-N 1 0 220.338 0.170 10 0 BCAERO CC[C@H](C)[C@@H]([NH3+])C(=O)N[C@H](CCO)CSC ZINC000262520130 386204139 /nfs/dbraw/zinc/20/41/39/386204139.db2.gz DSLSZCBPCAUXLF-IVZWLZJFSA-N 1 0 248.392 0.590 10 0 BCAERO [NH3+][C@H]1CCC[C@@H]1C(=O)NC1CSC1 ZINC000575579141 386219791 /nfs/dbraw/zinc/21/97/91/386219791.db2.gz KAPTVUTXKUQLSQ-YUMQZZPRSA-N 1 0 200.307 0.345 10 0 BCAERO COC(=O)c1ccc(CN2CCC[C@H]2C[NH3+])o1 ZINC000131857007 386224752 /nfs/dbraw/zinc/22/47/52/386224752.db2.gz CULQWRZDUPHFPH-VIFPVBQESA-N 1 0 238.287 0.989 10 0 BCAERO C[C@@H]1C[C@@H]1[C@@H]([NH3+])[C@H]1CCS(=O)(=O)C1 ZINC000575580546 386233712 /nfs/dbraw/zinc/23/37/12/386233712.db2.gz DECQRIQBEMBYAC-XGEHTFHBSA-N 1 0 203.307 0.404 10 0 BCAERO CC1(C)C[C@]1([NH3+])[C@H]1CCS(=O)(=O)C1 ZINC000575589369 386311815 /nfs/dbraw/zinc/31/18/15/386311815.db2.gz RUIDNOJAAMKPHK-CBAPKCEASA-N 1 0 203.307 0.549 10 0 BCAERO CCC[C@H](C(=O)N[C@@H]1C[C@H](O)C1(C)C)[NH+](C)C ZINC000190622272 386314487 /nfs/dbraw/zinc/31/44/87/386314487.db2.gz WGBANSYXPRVSEP-MXWKQRLJSA-N 1 0 242.363 0.992 10 0 BCAERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)NC1CCCCC1 ZINC000416437089 386316215 /nfs/dbraw/zinc/31/62/15/386316215.db2.gz KXRTZTWJZMFVBR-GXSJLCMTSA-N 1 0 241.335 0.199 10 0 BCAERO C[C@H]([NH2+][C@H](CO)c1ccc(Cl)cc1)C(N)=O ZINC000289993100 386265043 /nfs/dbraw/zinc/26/50/43/386265043.db2.gz YNXGGDFAIKWNBN-OIBJUYFYSA-N 1 0 242.706 0.837 10 0 BCAERO CCOc1cc(N2CC[C@@H](C[NH2+]C)C2)ncn1 ZINC000090784363 386269690 /nfs/dbraw/zinc/26/96/90/386269690.db2.gz XUUAOSOVFCDUSD-JTQLQIEISA-N 1 0 236.319 0.921 10 0 BCAERO Cc1noc(CCCN2C[C@H](C)[C@H]([NH3+])C2)n1 ZINC000647987665 386277396 /nfs/dbraw/zinc/27/73/96/386277396.db2.gz PCIOPABKMXXYSZ-WCBMZHEXSA-N 1 0 224.308 0.590 10 0 BCAERO Cc1c(C[N@@H+]2CC[C@H](CCO)C2)cnn1C ZINC000336707522 386413445 /nfs/dbraw/zinc/41/34/45/386413445.db2.gz SQKNHHJHQAXNQI-LLVKDONJSA-N 1 0 223.320 0.933 10 0 BCAERO Cn1nccc1CN1C[C@H](F)C[C@H]1C[NH3+] ZINC000384320715 386417258 /nfs/dbraw/zinc/41/72/58/386417258.db2.gz OQXFTTJBKWWGMA-SCZZXKLOSA-N 1 0 212.272 0.291 10 0 BCAERO CCO[C@@H]1C[C@@H]1C(=O)N[C@H](C[NH3+])CC(C)C ZINC000262608647 386467101 /nfs/dbraw/zinc/46/71/01/386467101.db2.gz VMBNKAAONLMUHV-GARJFASQSA-N 1 0 228.336 0.901 10 0 BCAERO CCO[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000262608746 386469469 /nfs/dbraw/zinc/46/94/69/386469469.db2.gz COVFSTCPYREDNU-UKKRHICBSA-N 1 0 226.320 0.655 10 0 BCAERO CCO[C@@H]1C[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000262608750 386470404 /nfs/dbraw/zinc/47/04/04/386470404.db2.gz COVFSTCPYREDNU-VPOLOUISSA-N 1 0 226.320 0.655 10 0 BCAERO CN(CCOCC1CC1)C(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000094988380 386474016 /nfs/dbraw/zinc/47/40/16/386474016.db2.gz AXTJMFOVOLEDPC-RYUDHWBXSA-N 1 0 240.347 0.999 10 0 BCAERO CCCCNC(=O)C[N@@H+]1C[C@H](O)CC[C@H]1C ZINC000399278259 386474831 /nfs/dbraw/zinc/47/48/31/386474831.db2.gz YUMHVUIHMLZFSY-GHMZBOCLSA-N 1 0 228.336 0.748 10 0 BCAERO Cc1cnn(CCNC(=O)[C@@H]([NH3+])C2CCC2)c1 ZINC000399279836 386478128 /nfs/dbraw/zinc/47/81/28/386478128.db2.gz XAOGSNRDLSDOGU-NSHDSACASA-N 1 0 236.319 0.435 10 0 BCAERO C[C@H]1[C@H]([NH3+])CCN1C(=O)c1cn2ccccc2n1 ZINC000335439563 386496267 /nfs/dbraw/zinc/49/62/67/386496267.db2.gz VJSSATVWNMCJEA-VHSXEESVSA-N 1 0 244.298 0.896 10 0 BCAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)c1cn2ccccc2n1 ZINC000335439559 386497127 /nfs/dbraw/zinc/49/71/27/386497127.db2.gz VJSSATVWNMCJEA-NXEZZACHSA-N 1 0 244.298 0.896 10 0 BCAERO O=C([C@@H]1CCC[NH2+]C1)N1CCn2ccnc2C1 ZINC000062254710 386507643 /nfs/dbraw/zinc/50/76/43/386507643.db2.gz FMEXBDOXULQGRI-SNVBAGLBSA-N 1 0 234.303 0.225 10 0 BCAERO CC(C)[C@@H]([NH3+])C(=O)N1CCn2ccnc2C1 ZINC000062254722 386507877 /nfs/dbraw/zinc/50/78/77/386507877.db2.gz KBBDHMGQHZSYMZ-SNVBAGLBSA-N 1 0 222.292 0.209 10 0 BCAERO [NH3+][C@H]1C[C@@H](C(=O)N2CCO[C@@H]3CCCC[C@H]32)C1 ZINC000647994242 386513621 /nfs/dbraw/zinc/51/36/21/386513621.db2.gz YHLXAXVDLJFDOB-WRWGMCAJSA-N 1 0 238.331 0.894 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N1[C@H](C)COC[C@@H]1C ZINC000161572493 386525180 /nfs/dbraw/zinc/52/51/80/386525180.db2.gz RNYREIQHFQXIHM-AEJSXWLSSA-N 1 0 214.309 0.750 10 0 BCAERO C[C@H]1CC[C@H](O)C[N@@H+]1CC(=O)NCC1CC1 ZINC000399210993 386455544 /nfs/dbraw/zinc/45/55/44/386455544.db2.gz FZGSXICXOJKDIO-ONGXEEELSA-N 1 0 226.320 0.358 10 0 BCAERO CNC(=O)N1C[C@H]2CCCC[N@@H+]2C[C@H]1C ZINC000124329494 386588072 /nfs/dbraw/zinc/58/80/72/386588072.db2.gz GFMFGBLSASGOPB-NXEZZACHSA-N 1 0 211.309 0.884 10 0 BCAERO [NH3+]C[C@@H]1C[C@@H](F)CN1Cc1cncnc1 ZINC000238853778 386537269 /nfs/dbraw/zinc/53/72/69/386537269.db2.gz KYPKJXGLBZNHQP-ZJUUUORDSA-N 1 0 210.256 0.348 10 0 BCAERO CCO[C@@H]1C[C@@H]1C(=O)N[C@](C)(C[NH3+])C1CC1 ZINC000262631110 386541166 /nfs/dbraw/zinc/54/11/66/386541166.db2.gz NSVNPHRSMSBXII-HOSYDEDBSA-N 1 0 226.320 0.655 10 0 BCAERO COC[C@@H](C)[NH2+][C@H]1CCC(=O)NC1(C)C ZINC000336755660 386543561 /nfs/dbraw/zinc/54/35/61/386543561.db2.gz IBGKVKQICWMHOT-BDAKNGLRSA-N 1 0 214.309 0.668 10 0 BCAERO C[C@@H]1C[N@@H+](CC(C)(C)O)C[C@H](C)N1C ZINC000123565942 386555673 /nfs/dbraw/zinc/55/56/73/386555673.db2.gz UZKAYWARZKOVLX-AOOOYVTPSA-N 1 0 200.326 0.782 10 0 BCAERO Cc1n[nH]c(C)c1NC(=O)[C@@H]1CC[NH2+]C1 ZINC000062112885 386567034 /nfs/dbraw/zinc/56/70/34/386567034.db2.gz APVDXKNMFRSCSQ-MRVPVSSYSA-N 1 0 208.265 0.575 10 0 BCAERO [NH3+][C@H]1C[C@@H](C(=O)NC[C@H]2CCC[C@H]2O)C1 ZINC000648045672 386570114 /nfs/dbraw/zinc/57/01/14/386570114.db2.gz QXOKMCQZQZRSAF-DOLQZWNJSA-N 1 0 212.293 0.001 10 0 BCAERO C[C@H](C[S@](C)=O)Nc1cc(N)cc[nH+]1 ZINC000228961397 386651185 /nfs/dbraw/zinc/65/11/85/386651185.db2.gz DFNVKCJEHXMIIA-UOWDBTKRSA-N 1 0 213.306 0.843 10 0 BCAERO C[C@@H]1C[N@H+](CC2(O)CCC2)C[C@H]1N(C)C ZINC000335529493 386675299 /nfs/dbraw/zinc/67/52/99/386675299.db2.gz MPRGFTPUMLMVLB-GHMZBOCLSA-N 1 0 212.337 0.783 10 0 BCAERO C[C@H]([NH2+][C@@H](CO)c1ccccc1)C(N)=O ZINC000063002769 386675536 /nfs/dbraw/zinc/67/55/36/386675536.db2.gz YIPLAAVQXVKLTE-WPRPVWTQSA-N 1 0 208.261 0.183 10 0 BCAERO [NH3+]C[C@@H]1CCCCN1C(=O)c1ccc(=O)[nH]c1 ZINC000044541469 386723435 /nfs/dbraw/zinc/72/34/35/386723435.db2.gz INYCIDKVRTUASD-JTQLQIEISA-N 1 0 235.287 0.328 10 0 BCAERO CO[C@@H]1C[C@@H](CO)[N@H+](CCOCC(C)C)C1 ZINC000344670235 386752415 /nfs/dbraw/zinc/75/24/15/386752415.db2.gz DCYRHJGNGOCFTO-NWDGAFQWSA-N 1 0 231.336 0.741 10 0 BCAERO CC[C@@H]([NH3+])C(=O)N1CCN2CCCC[C@H]2C1 ZINC000084200503 386759458 /nfs/dbraw/zinc/75/94/58/386759458.db2.gz GAUZJXQHBWPESP-WDEREUQCSA-N 1 0 225.336 0.420 10 0 BCAERO CC1(C)C[NH2+][C@@H]1C(=O)NCC[C@H]1CCCO1 ZINC000645333871 386742197 /nfs/dbraw/zinc/74/21/97/386742197.db2.gz KSMBVRTWHRWBJR-NXEZZACHSA-N 1 0 226.320 0.670 10 0 BCAERO O[C@@H](c1cncs1)[C@@H]1C[NH2+]CCS1 ZINC000575449280 386791760 /nfs/dbraw/zinc/79/17/60/386791760.db2.gz DMLRCUHZICYVOB-POYBYMJQSA-N 1 0 216.331 0.882 10 0 BCAERO COc1c(C[NH2+]CCN2CCC2)c(C)nn1C ZINC000344894503 386794138 /nfs/dbraw/zinc/79/41/38/386794138.db2.gz UUQCUGHNSNHILG-UHFFFAOYSA-N 1 0 238.335 0.532 10 0 BCAERO C[N@@H+]1CC[C@@H](CSC[C@H](O)CO)C1 ZINC000191170900 386771118 /nfs/dbraw/zinc/77/11/18/386771118.db2.gz IURJGRZTVXCFOC-RKDXNWHRSA-N 1 0 205.323 0.025 10 0 BCAERO CO[C@@H]1C[C@H](CO)N(Cc2ncc(C)o2)C1 ZINC000344908458 386798361 /nfs/dbraw/zinc/79/83/61/386798361.db2.gz PRVKZTPKGZXEFH-NXEZZACHSA-N 1 0 226.276 0.565 10 0 BCAERO C[C@H](O)C[N@@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000192978317 386807175 /nfs/dbraw/zinc/80/71/75/386807175.db2.gz IDZJQFWTNKWNOK-GXSJLCMTSA-N 1 0 209.293 0.938 10 0 BCAERO Cc1c(C[NH2+]C[C@@H]2COCCO2)cnn1C ZINC000086551982 386812911 /nfs/dbraw/zinc/81/29/11/386812911.db2.gz NDQTWTQVFQJBHX-LLVKDONJSA-N 1 0 225.292 0.234 10 0 BCAERO CC[NH2+][C@@H](C)C(=O)N[C@H]1CCCOC1 ZINC000637981352 386834175 /nfs/dbraw/zinc/83/41/75/386834175.db2.gz FZXZTGCTDADLAS-IUCAKERBSA-N 1 0 200.282 0.280 10 0 BCAERO [NH3+][C@@H]1CC=C(C(=O)N[C@@H]2CCCOC2)C1 ZINC000637981023 386834859 /nfs/dbraw/zinc/83/48/59/386834859.db2.gz CIEHINRJNFEPDR-NXEZZACHSA-N 1 0 210.277 0.329 10 0 BCAERO CCOC[C@H](C)[NH2+][C@H]1CCC(=O)N[C@@H]1C ZINC000336762892 386942160 /nfs/dbraw/zinc/94/21/60/386942160.db2.gz OGSYDLIABAVSDP-AEJSXWLSSA-N 1 0 214.309 0.668 10 0 BCAERO CC(C)[C@H](C)NC(=O)C[N@@H+]1C[C@H](O)CC[C@@H]1C ZINC000399479030 386963645 /nfs/dbraw/zinc/96/36/45/386963645.db2.gz PJWAYKDQQCGBMC-SDDRHHMPSA-N 1 0 242.363 0.992 10 0 BCAERO CCOC[C@H](O)C[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000398734523 386975715 /nfs/dbraw/zinc/97/57/15/386975715.db2.gz WSPXADUAVOCIKS-UMSGYPCISA-N 1 0 243.347 0.477 10 0 BCAERO COC(=O)[C@H](C)[N@@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000398733971 386975858 /nfs/dbraw/zinc/97/58/58/386975858.db2.gz WPZIEBIHDNZXEW-NAKRPEOUSA-N 1 0 227.304 0.641 10 0 BCAERO CCO[C@H](C)C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000116797448 386979786 /nfs/dbraw/zinc/97/97/86/386979786.db2.gz HICSDCSNTVZECN-MNOVXSKESA-N 1 0 244.335 0.200 10 0 BCAERO CCOC(=O)C[N@@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000398738162 386980301 /nfs/dbraw/zinc/98/03/01/386980301.db2.gz YBQHXRQOPMHAQC-DCAQKATOSA-N 1 0 227.304 0.642 10 0 BCAERO C[NH+](C)CC(=O)N1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000398796537 386992928 /nfs/dbraw/zinc/99/29/28/386992928.db2.gz RPJGOFPTUIVTQT-DCAQKATOSA-N 1 0 226.320 0.167 10 0 BCAERO COC[C@@H]1CCCN1C(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000648100299 386999727 /nfs/dbraw/zinc/99/97/27/386999727.db2.gz OAHMEDACIIOTLL-SDDRHHMPSA-N 1 0 240.347 0.999 10 0 BCAERO OCCOCC[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000398820075 387000434 /nfs/dbraw/zinc/00/04/34/387000434.db2.gz YORUYJDMGZXNGS-SDDRHHMPSA-N 1 0 229.320 0.088 10 0 BCAERO CC(C)(O)C[N@@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000398825609 387001252 /nfs/dbraw/zinc/00/12/52/387001252.db2.gz GIKAXVQDRQSAEG-DCAQKATOSA-N 1 0 213.321 0.850 10 0 BCAERO [NH3+][C@@H]1CSC[C@@H]1C[C@@H]1COCCO1 ZINC000575461388 387030872 /nfs/dbraw/zinc/03/08/72/387030872.db2.gz DHWWIVVXXRYQQC-DJLDLDEBSA-N 1 0 203.307 0.482 10 0 BCAERO NC(=S)C[N@@H+]1CCC[C@H]2COC[C@@H]21 ZINC000575464294 387044681 /nfs/dbraw/zinc/04/46/81/387044681.db2.gz JPQCQWKXWGWMRA-YUMQZZPRSA-N 1 0 200.307 0.383 10 0 BCAERO CC[C@@H](O)C[N@@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000399058515 387051488 /nfs/dbraw/zinc/05/14/88/387051488.db2.gz NKFJULOTTWGLHS-YFKTTZPYSA-N 1 0 213.321 0.850 10 0 BCAERO CC(C)NC(=O)[C@@H]1C[NH2+]Cc2c[nH]nc21 ZINC000575434000 387058658 /nfs/dbraw/zinc/05/86/58/387058658.db2.gz CNCSPGPQDDKQSU-MRVPVSSYSA-N 1 0 208.265 0.121 10 0 BCAERO [NH3+][C@@H]1CCO[C@H]1C(=O)NCc1ccccc1 ZINC000575583916 387059848 /nfs/dbraw/zinc/05/98/48/387059848.db2.gz NRLRQKQKNHRQJZ-GHMZBOCLSA-N 1 0 220.272 0.419 10 0 BCAERO O=C(C[N@H+]1C[C@@H]2CC[C@@H](O)C[C@@H]2C1)N1CCC1 ZINC000398923536 387020111 /nfs/dbraw/zinc/02/01/11/387020111.db2.gz QZZXXVWQPRFANY-QJPTWQEYSA-N 1 0 238.331 0.312 10 0 BCAERO NC(=S)[C@@H]1CC[N@@H+]([C@@H]2CCOC2)C1 ZINC000575456247 387027698 /nfs/dbraw/zinc/02/76/98/387027698.db2.gz QUNLYBLELINFJA-HTQZYQBOSA-N 1 0 200.307 0.383 10 0 BCAERO C[C@@H]1OCC[C@H]1NC(=O)NCC1([NH3+])CCC1 ZINC000334952614 387028586 /nfs/dbraw/zinc/02/85/86/387028586.db2.gz ROCMTBKMHAEQQD-DTWKUNHWSA-N 1 0 227.308 0.344 10 0 BCAERO [NH3+][C@@H]1CC[C@H](C(=O)NC2CSC2)C1 ZINC000575576937 387028725 /nfs/dbraw/zinc/02/87/25/387028725.db2.gz AUKRYCLTPHJTQR-NKWVEPMBSA-N 1 0 200.307 0.345 10 0 BCAERO O[C@H](c1cncs1)[C@H]1C[NH2+]CCO1 ZINC000575456762 387028941 /nfs/dbraw/zinc/02/89/41/387028941.db2.gz OKOSKJDKVSSMJW-SVRRBLITSA-N 1 0 200.263 0.165 10 0 BCAERO COCC[N@@H+]1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000246323050 387073211 /nfs/dbraw/zinc/07/32/11/387073211.db2.gz DFVKRNDEUSPOLP-NWDGAFQWSA-N 1 0 228.336 0.285 10 0 BCAERO O[C@H](c1cnsc1)[C@@H]1C[NH2+]CCS1 ZINC000575466994 387075547 /nfs/dbraw/zinc/07/55/47/387075547.db2.gz AELGUOHNVUAQCK-JGVFFNPUSA-N 1 0 216.331 0.882 10 0 BCAERO [NH3+][C@@H]1COC[C@H]1[C@H](O)c1cscn1 ZINC000575471744 387107553 /nfs/dbraw/zinc/10/75/53/387107553.db2.gz BIQPHMXOBYQPQC-JKMUOGBPSA-N 1 0 200.263 0.150 10 0 BCAERO [NH3+]C[C@]1(N2CC[C@H](F)C2)CCSC1 ZINC000575472090 387109532 /nfs/dbraw/zinc/10/95/32/387109532.db2.gz PMVASRRICJRKED-DTWKUNHWSA-N 1 0 204.314 0.865 10 0 BCAERO CN(Cc1ccco1)C(=O)C1([NH3+])CCOCC1 ZINC000127747868 387122578 /nfs/dbraw/zinc/12/25/78/387122578.db2.gz MYJUQBRIAKFJMO-UHFFFAOYSA-N 1 0 238.287 0.746 10 0 BCAERO COC(=O)[C@H]1CC[C@H](C[NH3+])N1c1ccn(C)c1 ZINC000536955768 387169526 /nfs/dbraw/zinc/16/95/26/387169526.db2.gz STWYPOYFOIOCAV-MWLCHTKSSA-N 1 0 237.303 0.494 10 0 BCAERO CN1CCC[C@@H]([NH2+][C@@H]2CCCC[C@H]2O)C1=O ZINC000571776727 387170185 /nfs/dbraw/zinc/17/01/85/387170185.db2.gz KERGEXVUDIKXNG-GMTAPVOTSA-N 1 0 226.320 0.500 10 0 BCAERO [NH3+][C@@H]1COCC[C@@H]1N1C(=O)c2ccccc2C1=O ZINC000575588442 387185462 /nfs/dbraw/zinc/18/54/62/387185462.db2.gz PTYQGBYYSSLWMI-MNOVXSKESA-N 1 0 246.266 0.399 10 0 BCAERO C[NH+](C)[C@H]1CCN(C(=O)Cc2ccccc2N)C1 ZINC000062964138 387187443 /nfs/dbraw/zinc/18/74/43/387187443.db2.gz RANXYCDVZRAWHH-LBPRGKRZSA-N 1 0 247.342 0.974 10 0 BCAERO CC(C)(C)NC(=O)N1CC[C@H]2C[NH2+]C[C@@H]21 ZINC000077439445 387189017 /nfs/dbraw/zinc/18/90/17/387189017.db2.gz RUVCJMYPWLYFDY-IUCAKERBSA-N 1 0 211.309 0.788 10 0 BCAERO CO[C@@H]1C[C@@H](CO)[N@H+](CCCn2ccnc2)C1 ZINC000284620902 387209062 /nfs/dbraw/zinc/20/90/62/387209062.db2.gz MXPXWRUJIKSCMH-NWDGAFQWSA-N 1 0 239.319 0.355 10 0 BCAERO C[C@@H]([NH2+]CC(=O)N1CCOCC1)[C@H]1C[C@H]1C ZINC000321479198 387250678 /nfs/dbraw/zinc/25/06/78/387250678.db2.gz IRFRAVWALFKMAM-MXWKQRLJSA-N 1 0 226.320 0.479 10 0 BCAERO C[C@H]([NH2+]C[C@@H]1CN(C)CCO1)c1ccnn1C ZINC000192252160 387315383 /nfs/dbraw/zinc/31/53/83/387315383.db2.gz GQWCKBOIKGTNQQ-WDEREUQCSA-N 1 0 238.335 0.401 10 0 BCAERO O=S1(=O)CCC[C@H]1C[C@@H]1CC[NH2+]C1 ZINC000575496152 387317397 /nfs/dbraw/zinc/31/73/97/387317397.db2.gz KGAKNVRISLQNKK-IUCAKERBSA-N 1 0 203.307 0.563 10 0 BCAERO CCC[C@H](C(=O)NCCOCCOC)[NH+](C)C ZINC000161780288 387267542 /nfs/dbraw/zinc/26/75/42/387267542.db2.gz FOTKBZSHKKOZAD-LLVKDONJSA-N 1 0 246.351 0.496 10 0 BCAERO CCC[C@H](C(=O)NC[C@](C)(O)CC)[NH+](C)C ZINC000120827321 387275204 /nfs/dbraw/zinc/27/52/04/387275204.db2.gz LUPPOLPPQHIMOJ-ZYHUDNBSSA-N 1 0 230.352 0.994 10 0 BCAERO CSCCC[N@@H+]1CCCNC(=O)[C@H]1C ZINC000189276459 387277309 /nfs/dbraw/zinc/27/73/09/387277309.db2.gz BVELQICORFHALZ-SECBINFHSA-N 1 0 216.350 0.950 10 0 BCAERO COC[C@H]1CCCN1C(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000648575918 387355773 /nfs/dbraw/zinc/35/57/73/387355773.db2.gz ZYWMINLCKJTWHB-GMTAPVOTSA-N 1 0 226.320 0.479 10 0 BCAERO [NH3+][C@]1([C@@H](O)c2ccns2)CCOC1 ZINC000575504052 387360265 /nfs/dbraw/zinc/36/02/65/387360265.db2.gz CDILHPVOEBMISG-JGVFFNPUSA-N 1 0 200.263 0.294 10 0 BCAERO C/C(=C/[C@@H]1CCCCS1(=O)=O)C[NH3+] ZINC000575496564 387333913 /nfs/dbraw/zinc/33/39/13/387333913.db2.gz OXPFHNJQCJEOJE-XZLDQRQTSA-N 1 0 203.307 0.859 10 0 BCAERO C/C(=C\[C@@H]1CCCCS1(=O)=O)C[NH3+] ZINC000575496563 387334006 /nfs/dbraw/zinc/33/40/06/387334006.db2.gz OXPFHNJQCJEOJE-ORZBULNSSA-N 1 0 203.307 0.859 10 0 BCAERO OC1(C[NH2+]CCc2cccnc2)CCOCC1 ZINC000162351584 387345502 /nfs/dbraw/zinc/34/55/02/387345502.db2.gz NMHVRKRLQDSXIH-UHFFFAOYSA-N 1 0 236.315 0.755 10 0 BCAERO Cn1nc(Br)cc1[C@H](O)C(C)(C)[NH3+] ZINC000575500999 387350352 /nfs/dbraw/zinc/35/03/52/387350352.db2.gz WMWBJFZWMBINGS-ZETCQYMHSA-N 1 0 248.124 0.953 10 0 BCAERO Cn1nc(Br)cc1[C@H]1C[C@H]1[NH3+] ZINC000575500002 387350616 /nfs/dbraw/zinc/35/06/16/387350616.db2.gz PNOKEMBYTSRTAM-CRCLSJGQSA-N 1 0 216.082 0.997 10 0 BCAERO Cc1nc(CN(C)[C@H]2CCC[C@@H]2O)no1 ZINC000352667027 387428551 /nfs/dbraw/zinc/42/85/51/387428551.db2.gz JEHMNHXOWYMOGR-IUCAKERBSA-N 1 0 211.265 0.723 10 0 BCAERO NC(=S)C[C@@H]1CC[N@@H+]([C@@H]2CCOC2)C1 ZINC000306577718 387436635 /nfs/dbraw/zinc/43/66/35/387436635.db2.gz LMUHSECULUIQCX-DTWKUNHWSA-N 1 0 214.334 0.773 10 0 BCAERO C[N@H+](CC(=O)NC(C)(C)C)[C@H]1CCC[C@H]1O ZINC000352695637 387440823 /nfs/dbraw/zinc/44/08/23/387440823.db2.gz IKPKRPGUGBMOBE-VHSXEESVSA-N 1 0 228.336 0.746 10 0 BCAERO C[NH2+]CC(=O)Nc1cnn(C)c1Br ZINC000575522601 387444784 /nfs/dbraw/zinc/44/47/84/387444784.db2.gz GVUPDSUKYAFRIW-UHFFFAOYSA-N 1 0 247.096 0.341 10 0 BCAERO Cn1ncc(N2CC[C@@H]([NH3+])C2)c1Cl ZINC000575522609 387445461 /nfs/dbraw/zinc/44/54/61/387445461.db2.gz AJKKNVXIPMJQDO-ZCFIWIBFSA-N 1 0 200.673 0.611 10 0 BCAERO Cn1ncc(N2CC[C@H]([NH3+])C2)c1Cl ZINC000575522606 387445465 /nfs/dbraw/zinc/44/54/65/387445465.db2.gz AJKKNVXIPMJQDO-LURJTMIESA-N 1 0 200.673 0.611 10 0 BCAERO C[C@@H]([NH2+]C[C@H](O)C(C)(C)C)c1nncn1C ZINC000304249601 387451947 /nfs/dbraw/zinc/45/19/47/387451947.db2.gz QOVCREBLGHGNGZ-BDAKNGLRSA-N 1 0 226.324 0.873 10 0 BCAERO O=C1c2ccccc2C(=O)N1C[C@]1(O)CC[NH2+]C1 ZINC000306274801 387455717 /nfs/dbraw/zinc/45/57/17/387455717.db2.gz BEWBFGDMIGUKFG-ZDUSSCGKSA-N 1 0 246.266 0.007 10 0 BCAERO Cc1c(CNCCC[NH+]2CCC2)cnn1C ZINC000515500083 387391025 /nfs/dbraw/zinc/39/10/25/387391025.db2.gz POCUGLDGPQZSMH-UHFFFAOYSA-N 1 0 222.336 0.914 10 0 BCAERO Cn1ncc(Cl)c1[C@H]1C[C@H]([NH3+])CO1 ZINC000575508927 387392204 /nfs/dbraw/zinc/39/22/04/387392204.db2.gz QSIZOPXUICFVLP-CAHLUQPWSA-N 1 0 201.657 0.862 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N[C@H](COC)C(C)C ZINC000083409940 387414107 /nfs/dbraw/zinc/41/41/07/387414107.db2.gz MPSUDVIHWLNERR-VHSXEESVSA-N 1 0 216.325 0.901 10 0 BCAERO CC(=O)N[C@H](C(=O)NCC[C@@H](C)[NH3+])C(C)C ZINC000516288039 387495356 /nfs/dbraw/zinc/49/53/56/387495356.db2.gz SFOJFHBYNHRDNF-SCZZXKLOSA-N 1 0 229.324 0.001 10 0 BCAERO COc1cccc(C[NH2+][C@@H]2CCOC[C@@H]2O)c1 ZINC000623765279 387543141 /nfs/dbraw/zinc/54/31/41/387543141.db2.gz QBFJHXZXCGQCBS-OLZOCXBDSA-N 1 0 237.299 0.935 10 0 BCAERO Cc1cc(CNC(=O)[C@H]([NH3+])CC(C)C)[nH]n1 ZINC000648079676 387508506 /nfs/dbraw/zinc/50/85/06/387508506.db2.gz JZXDMCWJZREYRT-SNVBAGLBSA-N 1 0 224.308 0.708 10 0 BCAERO CC[N@H+](C[C@H]1CNC(=O)O1)CC(C)(C)O ZINC000086274830 387520039 /nfs/dbraw/zinc/52/00/39/387520039.db2.gz RUKPDKPAIVKIQB-MRVPVSSYSA-N 1 0 216.281 0.188 10 0 BCAERO CC[N@H+](C[C@@H]1CNC(=O)O1)CC(C)(C)O ZINC000086274829 387520680 /nfs/dbraw/zinc/52/06/80/387520680.db2.gz RUKPDKPAIVKIQB-QMMMGPOBSA-N 1 0 216.281 0.188 10 0 BCAERO C[NH+](C)C[C@H]1CN(CC(C)(C)O)CCO1 ZINC000105904434 387524875 /nfs/dbraw/zinc/52/48/75/387524875.db2.gz SGYQZHXSWOILTC-JTQLQIEISA-N 1 0 216.325 0.020 10 0 BCAERO CC(C)[C@H](C)C(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000424042607 387468956 /nfs/dbraw/zinc/46/89/56/387468956.db2.gz CHAQCASDPSDZSG-GARJFASQSA-N 1 0 226.320 0.478 10 0 BCAERO Cn1nnc(Br)c1[C@H]1COC[C@H]1[NH3+] ZINC000575529835 387542423 /nfs/dbraw/zinc/54/24/23/387542423.db2.gz FFQVCBYBKYTPLB-CRCLSJGQSA-N 1 0 247.096 0.019 10 0 BCAERO C[C@H]1CCN1C(=O)[C@H]1CSCC[NH2+]1 ZINC000575538789 387582012 /nfs/dbraw/zinc/58/20/12/387582012.db2.gz PXQYHGSMOMEEAB-JGVFFNPUSA-N 1 0 200.307 0.312 10 0 BCAERO COCC[C@H](C)[NH2+]C[C@@H](C)N1CCOCC1 ZINC000123508022 387584284 /nfs/dbraw/zinc/58/42/84/387584284.db2.gz HCOPHNRASIYCEE-NWDGAFQWSA-N 1 0 230.352 0.722 10 0 BCAERO CC1(C)CC[C@H](CS(C)(=O)=O)[NH2+]C1 ZINC000575544322 387592909 /nfs/dbraw/zinc/59/29/09/387592909.db2.gz JBQSADXZEOCFFB-MRVPVSSYSA-N 1 0 205.323 0.809 10 0 BCAERO Cn1ncc(Cl)c1[C@@H]1COC[C@@H]1[NH3+] ZINC000575531367 387546656 /nfs/dbraw/zinc/54/66/56/387546656.db2.gz PKNUXUCMWCDKAT-VDTYLAMSSA-N 1 0 201.657 0.515 10 0 BCAERO C[NH+](C)C[C@H]1CN(C(=O)NCC2CC2)CCO1 ZINC000117029324 387550023 /nfs/dbraw/zinc/55/00/23/387550023.db2.gz VLRYOUWUPOXNAM-NSHDSACASA-N 1 0 241.335 0.368 10 0 BCAERO CC(C)[C@H](C(=O)N[C@@H]1CCO[C@@H]1C)[C@@H](C)[NH3+] ZINC000399535444 387553650 /nfs/dbraw/zinc/55/36/50/387553650.db2.gz UKLGCOAIVDMJHS-DBIOUOCHSA-N 1 0 228.336 0.899 10 0 BCAERO C[C@@H]1CC[C@]2(CS1)OC[C@@H](C[NH3+])O2 ZINC000575533697 387554075 /nfs/dbraw/zinc/55/40/75/387554075.db2.gz DYKBIMPBWQNXPN-HLTSFMKQSA-N 1 0 203.307 0.972 10 0 BCAERO C[C@@H](NC(=O)[C@@H]1CCCO1)[C@H]1CCC[NH2+]C1 ZINC000035689393 387578762 /nfs/dbraw/zinc/57/87/62/387578762.db2.gz QSJIJVVPIPHYTP-VWYCJHECSA-N 1 0 226.320 0.670 10 0 BCAERO CC(C)(C)OC(=O)N1C[C@]2(F)C[NH2+]C[C@H]12 ZINC000238141823 387663561 /nfs/dbraw/zinc/66/35/61/387663561.db2.gz VKMFDCQRAVUVDT-OIBJUYFYSA-N 1 0 216.256 0.917 10 0 BCAERO CS[C@@H]1CC[C@H]1N1C[C@H]([NH3+])CC1=O ZINC000575565143 387724189 /nfs/dbraw/zinc/72/41/89/387724189.db2.gz DPMRLSXUDSXZGB-BWZBUEFSSA-N 1 0 200.307 0.440 10 0 BCAERO Cc1ncc(C[NH2+]CC2CC(O)C2)n1C ZINC000527816421 387734769 /nfs/dbraw/zinc/73/47/69/387734769.db2.gz NIKTZEPVTQQARS-UHFFFAOYSA-N 1 0 209.293 0.589 10 0 BCAERO C[C@@H]1C(=O)NN[C@@]12CC[N@H+](Cc1ccccc1)C2 ZINC000575570189 387736019 /nfs/dbraw/zinc/73/60/19/387736019.db2.gz SHQAHSIJIIODDY-BXUZGUMPSA-N 1 0 245.326 0.902 10 0 BCAERO C[C@@H](O)C[N@@H+]1CCN(CCCF)C[C@H]1C ZINC000128281480 387742315 /nfs/dbraw/zinc/74/23/15/387742315.db2.gz OMGSUWGMEVWLAA-GHMZBOCLSA-N 1 0 218.316 0.733 10 0 BCAERO C[C@@H]1CSC[C@H]1[NH2+][C@@H]1COC[C@H]1O ZINC000306308613 387784738 /nfs/dbraw/zinc/78/47/38/387784738.db2.gz OMZHLZFNXDKVSG-FNCVBFRFSA-N 1 0 203.307 0.087 10 0 BCAERO O=C1NCCC[C@H]1[NH2+]Cc1cccc2c1OCO2 ZINC000050394942 387793400 /nfs/dbraw/zinc/79/34/00/387793400.db2.gz WODVYPVVORUZPV-SNVBAGLBSA-N 1 0 248.282 0.784 10 0 BCAERO COC[C@H](C)[NH2+]C[C@H](O)CN1CCCCC1 ZINC000151344110 387825664 /nfs/dbraw/zinc/82/56/64/387825664.db2.gz AMXHQCXTHYOGTC-RYUDHWBXSA-N 1 0 230.352 0.458 10 0 BCAERO CSC[C@@H](C)NC(=O)[C@@H]1CC[NH2+]C1 ZINC000158443439 134732207 /nfs/dbraw/zinc/73/22/07/134732207.db2.gz FXUNNCUBSMLTHC-HTQZYQBOSA-N 1 0 202.323 0.464 10 0 BCAERO Cc1nc(CNC(=O)[C@H]2C[C@H](F)C[NH2+]2)cs1 ZINC000645561596 387817445 /nfs/dbraw/zinc/81/74/45/387817445.db2.gz FYHDRDFLTIFQCV-IONNQARKSA-N 1 0 243.307 0.768 10 0 BCAERO O=C(NCC1CCSCC1)[C@@H]1CC[NH2+]C1 ZINC000158041272 387888550 /nfs/dbraw/zinc/88/85/50/387888550.db2.gz WEQHZRMXHTTZCB-SNVBAGLBSA-N 1 0 228.361 0.855 10 0 BCAERO Cc1cc(C)c(C(N)=O)c(N[C@@H]2C[C@H]2[NH3+])n1 ZINC000036267852 177850979 /nfs/dbraw/zinc/85/09/79/177850979.db2.gz KBGXVCOPINLZCR-HTQZYQBOSA-N 1 0 220.276 0.309 10 0 BCAERO O=C([C@H]1CC[NH2+]C1)N1CCC2(CCC2)C1 ZINC000238005961 387931227 /nfs/dbraw/zinc/93/12/27/387931227.db2.gz SSFAIMUBOAOIGR-JTQLQIEISA-N 1 0 208.305 0.999 10 0 BCAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@@H]1CCCO1 ZINC000245649892 387969187 /nfs/dbraw/zinc/96/91/87/387969187.db2.gz DCDFFLZQRSEIIS-WOPDTQHZSA-N 1 0 238.331 0.861 10 0 BCAERO Cc1cnn([C@H]2CCC[N@@H+]([C@H]3CCNC3=O)C2)c1 ZINC000245677244 387971515 /nfs/dbraw/zinc/97/15/15/387971515.db2.gz IFBRQONHVLKXAL-RYUDHWBXSA-N 1 0 248.330 0.717 10 0 BCAERO CCN(C)C(=O)CCN1CC[N@@H+]2CCC[C@H]2C1 ZINC000245708158 387976087 /nfs/dbraw/zinc/97/60/87/387976087.db2.gz YJEDOAIMJNAIPG-LBPRGKRZSA-N 1 0 239.363 0.635 10 0 BCAERO Cc1n[nH]cc1CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000245717311 387976363 /nfs/dbraw/zinc/97/63/63/387976363.db2.gz HFRRTQHYYHXAJW-LBPRGKRZSA-N 1 0 220.320 0.998 10 0 BCAERO O=C(NCCc1cscn1)[C@H]1CCC[NH2+]C1 ZINC000082280855 388021831 /nfs/dbraw/zinc/02/18/31/388021831.db2.gz QCVGELYNVLRBNC-VIFPVBQESA-N 1 0 239.344 0.801 10 0 BCAERO CCOCC[N@H+]1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000246284348 388028090 /nfs/dbraw/zinc/02/80/90/388028090.db2.gz AQDUPVDEUIZEGU-STQMWFEESA-N 1 0 242.363 0.675 10 0 BCAERO CCCc1nsc(N2CCO[C@@H](C[NH3+])C2)n1 ZINC000083651180 388057393 /nfs/dbraw/zinc/05/73/93/388057393.db2.gz PMXQMSROXKBUML-QMMMGPOBSA-N 1 0 242.348 0.655 10 0 BCAERO CC(C)C[C@H](C[NH3+])Nc1nccn2cnnc12 ZINC000083735493 388061203 /nfs/dbraw/zinc/06/12/03/388061203.db2.gz UUIPWRLLFBZIAP-SECBINFHSA-N 1 0 234.307 0.910 10 0 BCAERO COC[C@@H]1CCN(C(=O)[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000085013798 388083253 /nfs/dbraw/zinc/08/32/53/388083253.db2.gz ONABNKZSDUWUNP-MXWKQRLJSA-N 1 0 226.320 0.609 10 0 BCAERO CC(C)(C)[C@@H](O)C[NH2+][C@H]1CCCNC(=O)C1 ZINC000324317117 388116198 /nfs/dbraw/zinc/11/61/98/388116198.db2.gz GNWWZFKTOSNUGW-UWVGGRQHSA-N 1 0 228.336 0.652 10 0 BCAERO CC1(C)C[NH2+][C@@H]1C(=O)NC[C@H]1CCCC[C@H]1O ZINC000646150787 388157410 /nfs/dbraw/zinc/15/74/10/388157410.db2.gz VDMSWRCBFCISGR-GMTAPVOTSA-N 1 0 240.347 0.652 10 0 BCAERO COC[C@H]1CCCN1C(=O)C[C@@H]([NH3+])C(C)C ZINC000646156940 388158068 /nfs/dbraw/zinc/15/80/68/388158068.db2.gz BJWVWUHEGJZVPJ-GHMZBOCLSA-N 1 0 228.336 0.997 10 0 BCAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)[C@H]1CCCS1 ZINC000261528431 135153433 /nfs/dbraw/zinc/15/34/33/135153433.db2.gz LPWQNLMENIBKSB-IWSPIJDZSA-N 1 0 214.334 0.830 10 0 BCAERO CC1(C)C[NH2+][C@H]1C(=O)N1CCn2ccnc2C1 ZINC000646043911 388130547 /nfs/dbraw/zinc/13/05/47/388130547.db2.gz RJWDMALPZNIVQW-JTQLQIEISA-N 1 0 234.303 0.223 10 0 BCAERO O=S1(=O)CCC([C@H]2CC[NH2+]C2)CC1 ZINC000070627791 388134896 /nfs/dbraw/zinc/13/48/96/388134896.db2.gz QUBGVPAXHYVQMM-VIFPVBQESA-N 1 0 203.307 0.421 10 0 BCAERO CCCCOC[C@@H](O)C[NH2+]C(C)(C)CC(N)=O ZINC000195218415 388145364 /nfs/dbraw/zinc/14/53/64/388145364.db2.gz KUWLEPRQDJKMCF-JTQLQIEISA-N 1 0 246.351 0.408 10 0 BCAERO Cc1ccc(C(=O)N2C[C@H]3C[NH2+]C[C@@H]3C2)cn1 ZINC000090320756 256558637 /nfs/dbraw/zinc/55/86/37/256558637.db2.gz VEYZABMZKFACEX-VXGBXAGGSA-N 1 0 231.299 0.681 10 0 BCAERO CC(C)Oc1cncc(N2C[C@H]3C[NH2+]C[C@H]3C2)n1 ZINC000090322695 256558970 /nfs/dbraw/zinc/55/89/70/256558970.db2.gz QASFRXCQHUAEOT-PHIMTYICSA-N 1 0 248.330 0.919 10 0 BCAERO O=C(NC1CCCC1)N1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC000087312095 256571679 /nfs/dbraw/zinc/57/16/79/256571679.db2.gz CDBINCRPPYZLEO-GXSJLCMTSA-N 1 0 223.320 0.932 10 0 BCAERO Cc1c(C[NH2+][C@H](C)C[C@@H](C)O)cnn1C ZINC000164613614 388241084 /nfs/dbraw/zinc/24/10/84/388241084.db2.gz GFPHSMYBPYFYIH-RKDXNWHRSA-N 1 0 211.309 0.978 10 0 BCAERO CCC[C@H](O)CNC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000226347835 388262104 /nfs/dbraw/zinc/26/21/04/388262104.db2.gz DBIKUOVHBABQOF-AEJSXWLSSA-N 1 0 214.309 0.391 10 0 BCAERO COC[C@@H](C)NC(=O)C[NH2+]Cc1ccccc1 ZINC000042221796 388274143 /nfs/dbraw/zinc/27/41/43/388274143.db2.gz FCXPQYUXGRXTRI-LLVKDONJSA-N 1 0 236.315 0.927 10 0 BCAERO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H]1CCC[C@H](O)C1 ZINC000646417989 388354069 /nfs/dbraw/zinc/35/40/69/388354069.db2.gz SFNXOWAMZCVLNE-BJDJZHNGSA-N 1 0 240.347 0.794 10 0 BCAERO [NH3+][C@@H]1CC[C@H]1C1CCS(=O)(=O)CC1 ZINC000575518538 388354816 /nfs/dbraw/zinc/35/48/16/388354816.db2.gz YSCYTTKZCYVXKR-DTWKUNHWSA-N 1 0 203.307 0.549 10 0 BCAERO OC1(c2cccnc2Br)C[NH2+]C1 ZINC000575519072 388355830 /nfs/dbraw/zinc/35/58/30/388355830.db2.gz ZKJCIQVHRGZBCB-UHFFFAOYSA-N 1 0 229.077 0.635 10 0 BCAERO CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](O)C1 ZINC000304473689 388358653 /nfs/dbraw/zinc/35/86/53/388358653.db2.gz GZAKNMXUXHQRFC-NEPJUHHUSA-N 1 0 240.347 0.843 10 0 BCAERO Cn1ncc(NC(N)=[NH2+])c1Br ZINC000575522618 388358917 /nfs/dbraw/zinc/35/89/17/388358917.db2.gz HEFUHQHLLPQVGO-UHFFFAOYSA-N 1 0 218.058 0.488 10 0 BCAERO Brc1cnnn1C1C[NH2+]C1 ZINC000575523688 388359150 /nfs/dbraw/zinc/35/91/50/388359150.db2.gz MUQZWHVXGSEKJY-UHFFFAOYSA-N 1 0 203.043 0.185 10 0 BCAERO CO[C@H](C)CCC(=O)N1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000234770908 388359572 /nfs/dbraw/zinc/35/95/72/388359572.db2.gz REHPSWLRMMQSLN-BBBLOLIVSA-N 1 0 214.309 0.607 10 0 BCAERO CO[C@H]1CCN(C(=O)[C@@H]2CCC[NH2+][C@@H]2C)C1 ZINC000234799259 388360282 /nfs/dbraw/zinc/36/02/82/388360282.db2.gz GJYSLXXETYZDND-OUAUKWLOSA-N 1 0 226.320 0.622 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)N[C@@H]1CCCN(C)C1=O ZINC000646458755 388362358 /nfs/dbraw/zinc/36/23/58/388362358.db2.gz NBTZOVYTQCJLQF-NXEZZACHSA-N 1 0 241.335 0.097 10 0 BCAERO COc1cc(N2C[C@@H](C)[C@@H]([NH3+])C2)ncn1 ZINC000234910726 388363276 /nfs/dbraw/zinc/36/32/76/388363276.db2.gz GHCMSRRUOFHILM-SFYZADRCSA-N 1 0 208.265 0.269 10 0 BCAERO [NH3+]C[C@@H]1CCCN1C(=O)[C@@H]1CCCS1 ZINC000132867769 388370945 /nfs/dbraw/zinc/37/09/45/388370945.db2.gz REHLUZMBBLWAFP-IUCAKERBSA-N 1 0 214.334 0.832 10 0 BCAERO C[C@]1(C(=O)NCc2ncccn2)CCC[NH2+]1 ZINC000519547761 256650487 /nfs/dbraw/zinc/65/04/87/256650487.db2.gz JWLNRUCSYQYEQJ-LLVKDONJSA-N 1 0 220.276 0.235 10 0 BCAERO Cc1cnc(CN2CC[C@H]3OCC[NH2+][C@@H]3C2)o1 ZINC000572847528 388380467 /nfs/dbraw/zinc/38/04/67/388380467.db2.gz FKTDQSKUVOVLCX-GHMZBOCLSA-N 1 0 237.303 0.546 10 0 BCAERO COC(=O)CCC[NH2+]C[C@@H](O)C(C)(C)C ZINC000324459046 388383113 /nfs/dbraw/zinc/38/31/13/388383113.db2.gz XOJPKRUXLDZDNO-SECBINFHSA-N 1 0 217.309 0.936 10 0 BCAERO C[C@@H]1C[C@H]([NH2+]C[C@H](O)CN2CCCCC2)CO1 ZINC000402200727 388383543 /nfs/dbraw/zinc/38/35/43/388383543.db2.gz GUUAFCFVKMXYLZ-AGIUHOORSA-N 1 0 242.363 0.600 10 0 BCAERO CCO[C@H](C)C(=O)N1CCCC[C@H]1C[NH3+] ZINC000236907813 388386082 /nfs/dbraw/zinc/38/60/82/388386082.db2.gz AMZMOAWCRPDVIZ-ZJUUUORDSA-N 1 0 214.309 0.751 10 0 BCAERO Cc1nocc1C[NH2+]C[C@H]1CN(C)CCO1 ZINC000293556284 388389717 /nfs/dbraw/zinc/38/97/17/388389717.db2.gz LSELSGVEKVYQQY-NSHDSACASA-N 1 0 225.292 0.403 10 0 BCAERO Cc1ccnc(N(C)CCOCC[NH3+])c1 ZINC000300947075 388394031 /nfs/dbraw/zinc/39/40/31/388394031.db2.gz FLGJUROZSSOLOE-UHFFFAOYSA-N 1 0 209.293 0.802 10 0 BCAERO C[C@H](O)C[C@H](C)CNC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000237552185 388397378 /nfs/dbraw/zinc/39/73/78/388397378.db2.gz MBYHTYKMSRSPKE-UKKRHICBSA-N 1 0 228.336 0.637 10 0 BCAERO COCCC[N@H+](C)CCNC(=O)N[C@H]1C[C@@H]1C ZINC000176346814 388452231 /nfs/dbraw/zinc/45/22/31/388452231.db2.gz KCRIMOKDFWMTCB-QWRGUYRKSA-N 1 0 243.351 0.662 10 0 BCAERO CCC[C@H](C)NC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000378668250 388481781 /nfs/dbraw/zinc/48/17/81/388481781.db2.gz BSZLYNLYHDRCSP-XHNCKOQMSA-N 1 0 202.273 0.991 10 0 BCAERO OC[C@@H]1C[N@H+](C[C@H]2Cc3ccccc32)C[C@H]1O ZINC000316371050 388411461 /nfs/dbraw/zinc/41/14/61/388411461.db2.gz LNIKJBAAQFXRKG-MBNYWOFBSA-N 1 0 233.311 0.611 10 0 BCAERO C[C@@H]([NH3+])CCNC(=O)CCn1ccccc1=O ZINC000646678740 388413819 /nfs/dbraw/zinc/41/38/19/388413819.db2.gz INQWVCPLHMWLPO-SNVBAGLBSA-N 1 0 237.303 0.092 10 0 BCAERO CN(C)[C@H](CNC1=[NH+]CCN1)c1ccsc1 ZINC000069350328 388414512 /nfs/dbraw/zinc/41/45/12/388414512.db2.gz BFESMADIZDAVLU-SNVBAGLBSA-N 1 0 238.360 0.900 10 0 BCAERO CC(C)[C@H](O)C[N@@H+]1C[C@H](O)CC[C@H]1C ZINC000307606195 388424250 /nfs/dbraw/zinc/42/42/50/388424250.db2.gz BHQAWRVOTKSKNB-GMTAPVOTSA-N 1 0 201.310 0.849 10 0 BCAERO COc1c(C[NH2+]CCCO)c(C)nn1C ZINC000135057780 388482101 /nfs/dbraw/zinc/48/21/01/388482101.db2.gz AIBSHYMRSHQQDR-UHFFFAOYSA-N 1 0 213.281 0.209 10 0 BCAERO CC(C)C1([NH2+]CC(=O)N2CCN(C)CC2)CC1 ZINC000339506110 388484143 /nfs/dbraw/zinc/48/41/43/388484143.db2.gz BWUUOQXXGYSYPS-UHFFFAOYSA-N 1 0 239.363 0.539 10 0 BCAERO Cc1ccc(NC(=O)[C@@H]2C[NH2+]CCOC2)nc1 ZINC000649276298 388496829 /nfs/dbraw/zinc/49/68/29/388496829.db2.gz JPDHAFPYFQNVBX-SNVBAGLBSA-N 1 0 235.287 0.565 10 0 BCAERO OC[C@H]1C[N@H+](CC[C@H]2CCOC2)CCO1 ZINC000400662976 256795505 /nfs/dbraw/zinc/79/55/05/256795505.db2.gz XAMOFNAGOFOGGB-WDEREUQCSA-N 1 0 215.293 0.106 10 0 BCAERO CCC[C@@H](C(=O)NCCC(=O)N(C)C)[NH+](C)C ZINC000178649640 388503150 /nfs/dbraw/zinc/50/31/50/388503150.db2.gz VKBIWTPTZFMUMZ-JTQLQIEISA-N 1 0 243.351 0.311 10 0 BCAERO CO[C@@H]1C[C@H](CO)[N@H+](Cc2ccco2)C1 ZINC000343972618 388503727 /nfs/dbraw/zinc/50/37/27/388503727.db2.gz GIULJDPVDKUVBT-MWLCHTKSSA-N 1 0 211.261 0.861 10 0 BCAERO CCOCC[N@@H+]1C[C@@H](OC)C[C@H]1CO ZINC000344670836 388507970 /nfs/dbraw/zinc/50/79/70/388507970.db2.gz DPHCDTMKYRYQLA-UWVGGRQHSA-N 1 0 203.282 0.105 10 0 BCAERO CO[C@@H]1C[C@H](CO)[N@H+](Cc2cccc(C)n2)C1 ZINC000344680027 388509249 /nfs/dbraw/zinc/50/92/49/388509249.db2.gz QUIYOWXIHSOVND-CHWSQXEVSA-N 1 0 236.315 0.972 10 0 BCAERO CO[C@@H]1C[C@@H](CO)[N@H+](C[C@H]2CCCCO2)C1 ZINC000344741249 388510044 /nfs/dbraw/zinc/51/00/44/388510044.db2.gz RBVUJXRGNOPTBC-QJPTWQEYSA-N 1 0 229.320 0.637 10 0 BCAERO COC[C@H]1C[C@H]([NH3+])CN1C(=O)OC(C)(C)C ZINC000139452105 388516435 /nfs/dbraw/zinc/51/64/35/388516435.db2.gz WZADLKHOAYNHPG-DTWKUNHWSA-N 1 0 230.308 0.970 10 0 BCAERO CSCCN1C[C@H](F)C[C@H]1C(N)=O ZINC000346062519 388519414 /nfs/dbraw/zinc/51/94/14/388519414.db2.gz LCMKKVVGIGAJCQ-RQJHMYQMSA-N 1 0 206.286 0.247 10 0 BCAERO O=C(Nc1ccc(F)cn1)[C@@H]1C[NH2+]CCOC1 ZINC000649283960 388531771 /nfs/dbraw/zinc/53/17/71/388531771.db2.gz YUAXXBRDERFNHU-MRVPVSSYSA-N 1 0 239.250 0.395 10 0 BCAERO C[NH2+][C@H](C)C(=O)N1CCCC[C@H]1C(=O)OC ZINC000054074930 388593217 /nfs/dbraw/zinc/59/32/17/388593217.db2.gz XWNLVZGQIOQZTH-BDAKNGLRSA-N 1 0 228.292 0.148 10 0 BCAERO C[C@H]([NH2+]C[C@H]1CN(C)CCO1)[C@@H]1CCCOC1 ZINC000356885439 388550963 /nfs/dbraw/zinc/55/09/63/388550963.db2.gz XIHQPFZCJLQRDN-XQQFMLRXSA-N 1 0 242.363 0.722 10 0 BCAERO CC(C)(O)C[N@H+]1C[C@](C)(CO)[C@](C)(CO)C1 ZINC000528748583 388565090 /nfs/dbraw/zinc/56/50/90/388565090.db2.gz QJBWISWINHFUQS-TXEJJXNPSA-N 1 0 231.336 0.070 10 0 BCAERO CCC[C@H](C(=O)NCCn1cccn1)[NH+](C)C ZINC000137789275 388568046 /nfs/dbraw/zinc/56/80/46/388568046.db2.gz RJQJNGNSNLJOIM-LLVKDONJSA-N 1 0 238.335 0.730 10 0 BCAERO CCCCNC(=O)C[N@@H+]1CCC[C@@H](O)[C@H]1C ZINC000385060699 388573519 /nfs/dbraw/zinc/57/35/19/388573519.db2.gz USHLSPAWVGECGZ-GHMZBOCLSA-N 1 0 228.336 0.748 10 0 BCAERO CCC[C@@H](O)C[N@H+](C)C[C@@H]1CN(C)CCO1 ZINC000649297426 388575844 /nfs/dbraw/zinc/57/58/44/388575844.db2.gz PRKRAEPJNFSGFT-NEPJUHHUSA-N 1 0 230.352 0.410 10 0 BCAERO CC(C)(C)OC(=O)C(N)(N)CCCC[NH3+] ZINC000221253357 388584302 /nfs/dbraw/zinc/58/43/02/388584302.db2.gz UGMBQRXUHSOIJD-UHFFFAOYSA-N 1 0 217.313 0.071 10 0 BCAERO OC[C@@H](O)CSCCC[NH+]1CCCCC1 ZINC000191833052 388670856 /nfs/dbraw/zinc/67/08/56/388670856.db2.gz ZLDAXFZUBWHRKC-LLVKDONJSA-N 1 0 233.377 0.949 10 0 BCAERO COC[C@H]([NH3+])C(=O)N1C[C@@H]2[C@H](C1)C2(C)C ZINC000261599056 135237410 /nfs/dbraw/zinc/23/74/10/135237410.db2.gz ZTEIUAVXMUPPHP-YIZRAAEISA-N 1 0 212.293 0.075 10 0 BCAERO C[C@@H]1COCC[C@H]1C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000192514194 388679063 /nfs/dbraw/zinc/67/90/63/388679063.db2.gz GUCNQFJFTDVXPN-GRYCIOLGSA-N 1 0 240.347 0.822 10 0 BCAERO CO[C@H](C)C[N@@H+]1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000248449143 388680468 /nfs/dbraw/zinc/68/04/68/388680468.db2.gz XQMZUBXAGHYWRN-SDDRHHMPSA-N 1 0 230.352 0.408 10 0 BCAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)N(C)C)C1 ZINC000246184361 388622664 /nfs/dbraw/zinc/62/26/64/388622664.db2.gz HHOKRKAOIYMQJV-VHSXEESVSA-N 1 0 213.325 0.986 10 0 BCAERO CCOCCC(=O)N1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC000403978397 388631147 /nfs/dbraw/zinc/63/11/47/388631147.db2.gz FEBWUPIYYKRBLC-QWRGUYRKSA-N 1 0 242.319 0.002 10 0 BCAERO O=C(c1ccncc1)N1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC000403974110 388631775 /nfs/dbraw/zinc/63/17/75/388631775.db2.gz CRHPKUUXENGLAT-RYUDHWBXSA-N 1 0 247.298 0.285 10 0 BCAERO O=C(c1ccncc1)N1CC[C@H]2OCC[NH2+][C@@H]2C1 ZINC000403974113 388632353 /nfs/dbraw/zinc/63/23/53/388632353.db2.gz CRHPKUUXENGLAT-VXGBXAGGSA-N 1 0 247.298 0.285 10 0 BCAERO O=C(N[C@H]1CCOC1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000246568499 388644595 /nfs/dbraw/zinc/64/45/95/388644595.db2.gz MGLQNGIIQRBSGV-QWRGUYRKSA-N 1 0 239.319 0.265 10 0 BCAERO CCCC(=O)N1CC[N@H+](C[C@H](C)O)[C@H](C)C1 ZINC000246613558 388645985 /nfs/dbraw/zinc/64/59/85/388645985.db2.gz CNAIPALQKKLYLJ-MNOVXSKESA-N 1 0 228.336 0.700 10 0 BCAERO CO[C@@H](C)CNC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000223762952 388656873 /nfs/dbraw/zinc/65/68/73/388656873.db2.gz DVFJUVKZQNUISJ-GXSJLCMTSA-N 1 0 214.309 0.670 10 0 BCAERO CSCC[N@@H+]1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000247120921 388659498 /nfs/dbraw/zinc/65/94/98/388659498.db2.gz JRQPALODUMCHEY-MNOVXSKESA-N 1 0 232.393 0.736 10 0 BCAERO COC(=O)[C@@](C)(O)C[N@@H+]1CCS[C@@H](C)C1 ZINC000123562878 388734267 /nfs/dbraw/zinc/73/42/67/388734267.db2.gz LFIBVYGRDMCGQN-WPRPVWTQSA-N 1 0 233.333 0.348 10 0 BCAERO C[C@H]1C[N@H+](CC2(CO)COC2)CCS1 ZINC000089124683 388736250 /nfs/dbraw/zinc/73/62/50/388736250.db2.gz CRQLEKPMUJTIKD-VIFPVBQESA-N 1 0 217.334 0.433 10 0 BCAERO O[C@H](C1=CCCO1)[C@@H]1CSCC[NH2+]1 ZINC000575451308 388742148 /nfs/dbraw/zinc/74/21/48/388742148.db2.gz XBKLIGFAAHDEEQ-CBAPKCEASA-N 1 0 201.291 0.357 10 0 BCAERO CCOCCN1CC[N@H+](C[C@H](C)O)C[C@@H]1CC ZINC000248643699 388688302 /nfs/dbraw/zinc/68/83/02/388688302.db2.gz DWJLQWYXRIKWHM-STQMWFEESA-N 1 0 244.379 0.800 10 0 BCAERO CCC[C@@H](C(=O)NCCCCCO)[NH+](C)C ZINC000193264911 388698677 /nfs/dbraw/zinc/69/86/77/388698677.db2.gz NJGNHRBHWJXVGQ-NSHDSACASA-N 1 0 230.352 0.996 10 0 BCAERO Cc1nc(CN2C[C@@H](F)C[C@@H]2C[NH3+])no1 ZINC000396421568 388702142 /nfs/dbraw/zinc/70/21/42/388702142.db2.gz HNEACYOWCCVBOW-JGVFFNPUSA-N 1 0 214.244 0.249 10 0 BCAERO Cn1nccc1CN1C[C@@H](F)C[C@@H]1C[NH3+] ZINC000396445187 388702490 /nfs/dbraw/zinc/70/24/90/388702490.db2.gz OQXFTTJBKWWGMA-WCBMZHEXSA-N 1 0 212.272 0.291 10 0 BCAERO CN1C(=O)OC2(C[NH2+]C2)[C@H]1c1ccco1 ZINC000521399993 388704314 /nfs/dbraw/zinc/70/43/14/388704314.db2.gz MMWHCDNLZJPJTO-MRVPVSSYSA-N 1 0 208.217 0.745 10 0 BCAERO [NH3+]C[C@@H]1CO[C@@H]([C@H]2CCCSC2)O1 ZINC000258413537 388713454 /nfs/dbraw/zinc/71/34/54/388713454.db2.gz DGSTXVRARFVKFY-DJLDLDEBSA-N 1 0 203.307 0.830 10 0 BCAERO COC(=O)CCN1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000226344899 388716081 /nfs/dbraw/zinc/71/60/81/388716081.db2.gz DAIZKMVHNKJLOH-UWVGGRQHSA-N 1 0 214.309 0.609 10 0 BCAERO CCC[C@H](C(=O)N1CC[C@H](O)[C@@H](C)C1)[NH+](C)C ZINC000249499820 388724561 /nfs/dbraw/zinc/72/45/61/388724561.db2.gz IEEKTHKDGJDNQN-TUAOUCFPSA-N 1 0 242.363 0.946 10 0 BCAERO COC(=O)[C@@]1(C)CCC[N@@H+]1C[C@H](C)O ZINC000249532931 388727027 /nfs/dbraw/zinc/72/70/27/388727027.db2.gz JRIZXLKIZCPIEG-WCBMZHEXSA-N 1 0 201.266 0.395 10 0 BCAERO COC(=O)CCN1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000070177985 388728851 /nfs/dbraw/zinc/72/88/51/388728851.db2.gz DAIZKMVHNKJLOH-NXEZZACHSA-N 1 0 214.309 0.609 10 0 BCAERO O[C@@H](c1cncs1)[C@H]1C[NH2+]CCS1 ZINC000575449279 388731614 /nfs/dbraw/zinc/73/16/14/388731614.db2.gz DMLRCUHZICYVOB-HTRCEHHLSA-N 1 0 216.331 0.882 10 0 BCAERO [NH3+][C@H]1CCO[C@@H]1CN1CCSCC1 ZINC000575450357 388732621 /nfs/dbraw/zinc/73/26/21/388732621.db2.gz LFWIJAATZBPZBA-DTWKUNHWSA-N 1 0 202.323 0.151 10 0 BCAERO COCCN1CC[N@H+](C[C@H](C)COC)C[C@@H]1C ZINC000249771288 388733641 /nfs/dbraw/zinc/73/36/41/388733641.db2.gz JLJLQGBEALWCQN-STQMWFEESA-N 1 0 244.379 0.921 10 0 BCAERO CC[C@](C)(O)C[N@@H+]1CC[C@@H](CCO)C1 ZINC000229203976 388780928 /nfs/dbraw/zinc/78/09/28/388780928.db2.gz WGZPKGOPEJKUIW-QWRGUYRKSA-N 1 0 201.310 0.852 10 0 BCAERO O=C(NCc1ccccc1)[C@@]12C[NH2+]C[C@@H]1CCO2 ZINC000575456401 388787131 /nfs/dbraw/zinc/78/71/31/388787131.db2.gz UXBPHOWBAKSKPK-GXTWGEPZSA-N 1 0 246.310 0.681 10 0 BCAERO O=C(C[C@@H]1CCC[NH2+]C1)NCc1ccno1 ZINC000231894140 388843641 /nfs/dbraw/zinc/84/36/41/388843641.db2.gz LUIDYWSJZMKCHZ-VIFPVBQESA-N 1 0 223.276 0.681 10 0 BCAERO O[C@H](c1ccsn1)[C@@H]1C[NH2+]CCO1 ZINC000575462396 388827598 /nfs/dbraw/zinc/82/75/98/388827598.db2.gz TWLFNHWYPZUEFW-JGVFFNPUSA-N 1 0 200.263 0.165 10 0 BCAERO O=S1CCC([NH2+][C@H]2CC[C@H]2O)CC1 ZINC000575463791 388830659 /nfs/dbraw/zinc/83/06/59/388830659.db2.gz DAKCJZSRLQNOKE-NIAMMYOCSA-N 1 0 203.307 0.010 10 0 BCAERO NC(=S)C[N@@H+]1CCC[C@@H]2COC[C@H]21 ZINC000575464286 388831282 /nfs/dbraw/zinc/83/12/82/388831282.db2.gz JPQCQWKXWGWMRA-HTQZYQBOSA-N 1 0 200.307 0.383 10 0 BCAERO [NH3+]CC1(c2ccc(Cl)cn2)OCCO1 ZINC000575464600 388832714 /nfs/dbraw/zinc/83/27/14/388832714.db2.gz RNQLQMDIBKVJCV-UHFFFAOYSA-N 1 0 214.652 0.893 10 0 BCAERO CO[C@H](C)CCC(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000300049276 388835108 /nfs/dbraw/zinc/83/51/08/388835108.db2.gz REHPSWLRMMQSLN-OPRDCNLKSA-N 1 0 214.309 0.607 10 0 BCAERO [NH3+][C@H](C(F)F)C1CCS(=O)(=O)CC1 ZINC000575466105 388835723 /nfs/dbraw/zinc/83/57/23/388835723.db2.gz MWEMLQUMIMKODK-LURJTMIESA-N 1 0 213.249 0.404 10 0 BCAERO [NH3+]CCNc1scc2c1OCCO2 ZINC000575466420 388837273 /nfs/dbraw/zinc/83/72/73/388837273.db2.gz XEKDDFYQWJISMN-UHFFFAOYSA-N 1 0 200.263 0.890 10 0 BCAERO N[C@@]1(C(F)F)CCCS(=O)(=O)CC1 ZINC000575468873 388842067 /nfs/dbraw/zinc/84/20/67/388842067.db2.gz XRIMCZRDGBMBAT-ZETCQYMHSA-N 1 0 213.249 0.548 10 0 BCAERO CN1C[C@@H]([NH2+]C[C@H](O)C(C)(C)C)CCC1=O ZINC000304253968 388863862 /nfs/dbraw/zinc/86/38/62/388863862.db2.gz ROGWJZCEMMVABQ-UWVGGRQHSA-N 1 0 228.336 0.604 10 0 BCAERO O[C@H](C1=COCC1)[C@H]1CSCC[NH2+]1 ZINC000575471706 388848503 /nfs/dbraw/zinc/84/85/03/388848503.db2.gz PLZVWONQQZUNOO-RKDXNWHRSA-N 1 0 201.291 0.357 10 0 BCAERO CC[S@](=O)N1CCCCC[C@H]([NH3+])C1 ZINC000575471950 388850434 /nfs/dbraw/zinc/85/04/34/388850434.db2.gz LFJMWNFGDUUYPF-ZANVPECISA-N 1 0 204.339 0.873 10 0 BCAERO Cn1nnc(Br)c1[C@@H](O)C1([NH3+])CC1 ZINC000575492016 388933937 /nfs/dbraw/zinc/93/39/37/388933937.db2.gz RSACWSANKUTYLJ-RXMQYKEDSA-N 1 0 247.096 0.102 10 0 BCAERO CCc1nnc(CN2CC[C@@H]([NH2+]C)C2)n1C ZINC000564988322 388904906 /nfs/dbraw/zinc/90/49/06/388904906.db2.gz DAABTTSUPSQARS-SECBINFHSA-N 1 0 223.324 0.171 10 0 BCAERO [NH3+][C@@H]1CC[C@@H]1C[C@@H]1CCCS1(=O)=O ZINC000575497359 388982161 /nfs/dbraw/zinc/98/21/61/388982161.db2.gz XHLRXLCPHKGNJB-HRDYMLBCSA-N 1 0 203.307 0.691 10 0 BCAERO CCOc1nccnc1N1CC[C@@H]([NH2+]C)C1 ZINC000566058755 388985847 /nfs/dbraw/zinc/98/58/47/388985847.db2.gz MLMDHNRDTMGGQD-SECBINFHSA-N 1 0 222.292 0.673 10 0 BCAERO [NH3+][C@@]1([C@@H](O)c2cscn2)CCOC1 ZINC000575506361 388991638 /nfs/dbraw/zinc/99/16/38/388991638.db2.gz ZZFGMJRAVSJXPI-YUMQZZPRSA-N 1 0 200.263 0.294 10 0 BCAERO Cn1nnc(Br)c1[C@@H]1C[C@@H]([NH3+])CO1 ZINC000575506073 388991885 /nfs/dbraw/zinc/99/18/85/388991885.db2.gz CDYHSHYVQGIUJX-UHNVWZDZSA-N 1 0 247.096 0.366 10 0 BCAERO Cc1c([C@H](C)NC(=O)C(C)(C)C[NH3+])cnn1C ZINC000123003842 177631966 /nfs/dbraw/zinc/63/19/66/177631966.db2.gz HWLSBMZSRHPZQP-QMMMGPOBSA-N 1 0 238.335 0.891 10 0 BCAERO NC(=O)c1cccnc1N1CCC[C@H]([NH3+])C1 ZINC000041030197 132349038 /nfs/dbraw/zinc/34/90/38/132349038.db2.gz FRPMCGWGQUUWGV-QMMMGPOBSA-N 1 0 220.276 0.108 10 0 BCAERO CCN(CC(=O)NC)C(=O)C[NH2+]C1CCCC1 ZINC000037626315 169722198 /nfs/dbraw/zinc/72/21/98/169722198.db2.gz UOWQCBDPDMOAKN-UHFFFAOYSA-N 1 0 241.335 0.113 10 0 BCAERO C([C@H]1COCCO1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000227350673 533377011 /nfs/dbraw/zinc/37/70/11/533377011.db2.gz CYTDTCOGAUVTNP-OLZOCXBDSA-N 1 0 240.347 0.572 10 0 BCAERO Cc1nn(C)c(C)c1C[NH2+]CC1CC(O)C1 ZINC000084447023 322835649 /nfs/dbraw/zinc/83/56/49/322835649.db2.gz KXCDAAQVFIHLLR-UHFFFAOYSA-N 1 0 223.320 0.897 10 0 BCAERO Cc1cc(N2CCCC[C@H]2C[NH3+])n2ncnc2n1 ZINC000044559385 132225151 /nfs/dbraw/zinc/22/51/51/132225151.db2.gz WCXAGWWUOPMTGG-JTQLQIEISA-N 1 0 246.318 0.750 10 0 BCAERO Cc1cc(N2C[C@H](C)[NH2+]C[C@H]2C)n2ncnc2n1 ZINC000250959094 132232190 /nfs/dbraw/zinc/23/21/90/132232190.db2.gz FQWZRHDNIIQXPV-VHSXEESVSA-N 1 0 246.318 0.619 10 0 BCAERO COc1ccnc(N2CC[NH2+]C[C@@H]2C)n1 ZINC000054375229 132233873 /nfs/dbraw/zinc/23/38/73/132233873.db2.gz WVNOVPQYVMARKJ-QMMMGPOBSA-N 1 0 208.265 0.283 10 0 BCAERO C[C@H]1CN(c2ncncc2Cl)CC[NH2+]1 ZINC000163568137 132235981 /nfs/dbraw/zinc/23/59/81/132235981.db2.gz ZRTHMKNIOURLAW-ZETCQYMHSA-N 1 0 212.684 0.928 10 0 BCAERO c1cc(-c2cc(N3CC[NH2+]CC3)ncn2)ccn1 ZINC000045950662 132298658 /nfs/dbraw/zinc/29/86/58/132298658.db2.gz MPCDXFDPOMNBPH-UHFFFAOYSA-N 1 0 241.298 0.948 10 0 BCAERO CN1c2ccc([C@@H](O)C[NH3+])cc2CCC1=O ZINC000049817876 132300614 /nfs/dbraw/zinc/30/06/14/132300614.db2.gz HVKBWDZCRIUKPW-NSHDSACASA-N 1 0 220.272 0.588 10 0 BCAERO Cc1nc2c(c(N3CC[NH2+]CC3)n1)CCC2 ZINC000057328693 132300933 /nfs/dbraw/zinc/30/09/33/132300933.db2.gz KPXOVRBSYVTPMJ-UHFFFAOYSA-N 1 0 218.304 0.683 10 0 BCAERO Cc1nc(N2CCSCC2)[nH+]c(NN)c1C ZINC000057331635 132301150 /nfs/dbraw/zinc/30/11/50/132301150.db2.gz UNTJVWMCYKCMSB-UHFFFAOYSA-N 1 0 239.348 0.932 10 0 BCAERO [NH3+]C1CCN(c2ccc3nncn3n2)CC1 ZINC000073736954 132303282 /nfs/dbraw/zinc/30/32/82/132303282.db2.gz NDXLPUMNZQFPDC-UHFFFAOYSA-N 1 0 218.264 0.052 10 0 BCAERO [NH3+]CC1CCN(c2ccc3nncn3n2)CC1 ZINC000073736977 132303403 /nfs/dbraw/zinc/30/34/03/132303403.db2.gz NXKZNIQUYUHFOE-UHFFFAOYSA-N 1 0 232.291 0.299 10 0 BCAERO Cn1c2ccc(N3CC[NH2+]CC3)cc2oc1=O ZINC000011632581 132320037 /nfs/dbraw/zinc/32/00/37/132320037.db2.gz RXEUVGQIIRIMIB-UHFFFAOYSA-N 1 0 233.271 0.541 10 0 BCAERO NC(=O)c1cccnc1N1CCC([NH3+])CC1 ZINC000019255951 132324436 /nfs/dbraw/zinc/32/44/36/132324436.db2.gz YCLGCQFDMWGTOQ-UHFFFAOYSA-N 1 0 220.276 0.108 10 0 BCAERO C[C@@H]1CN(c2ncccc2C(N)=[NH2+])C[C@H](C)O1 ZINC000019476448 132325415 /nfs/dbraw/zinc/32/54/15/132325415.db2.gz UWJOOPGLOGIVGG-DTORHVGOSA-N 1 0 234.303 0.979 10 0 BCAERO C[C@H]1CN(c2cc(C(N)=[NH2+])ccn2)CCO1 ZINC000019519638 132325914 /nfs/dbraw/zinc/32/59/14/132325914.db2.gz MKGZQRNZYUUJIA-QMMMGPOBSA-N 1 0 220.276 0.591 10 0 BCAERO [NH3+]C[C@@H](O)CN1CCCc2ccccc21 ZINC000019685120 132326072 /nfs/dbraw/zinc/32/60/72/132326072.db2.gz NBSFAJSHFMEELG-LLVKDONJSA-N 1 0 206.289 0.759 10 0 BCAERO c1cnc(N2CCN(C[C@@H]3CCC[NH2+]3)CC2)nc1 ZINC000019852689 132327908 /nfs/dbraw/zinc/32/79/08/132327908.db2.gz YJFFGKPSYJTBCC-LBPRGKRZSA-N 1 0 247.346 0.351 10 0 BCAERO Cc1nc(N2CCN(C)CC2)nc(C)c1C[NH3+] ZINC000020274800 132330979 /nfs/dbraw/zinc/33/09/79/132330979.db2.gz FMCXOSPIEHZSQR-UHFFFAOYSA-N 1 0 235.335 0.304 10 0 BCAERO Cc1nc(N2CCOCC2)nc(C)c1CC[NH3+] ZINC000020397230 132331406 /nfs/dbraw/zinc/33/14/06/132331406.db2.gz OWKUOQBUHDRGEJ-UHFFFAOYSA-N 1 0 236.319 0.431 10 0 BCAERO CC(=O)N1CCN(c2ccc(C[NH3+])cn2)CC1 ZINC000022215015 132332589 /nfs/dbraw/zinc/33/25/89/132332589.db2.gz NDWGKVDIJXAUDA-UHFFFAOYSA-N 1 0 234.303 0.209 10 0 BCAERO Clc1cnc2cnc(N3CC[NH2+]CC3)cn12 ZINC000027191234 132333822 /nfs/dbraw/zinc/33/38/22/132333822.db2.gz KZUNHFXGYLNGQM-UHFFFAOYSA-N 1 0 237.694 0.792 10 0 BCAERO [NH3+]C[C@@H](O)CN1C(=O)CCc2cc(F)ccc21 ZINC000035355606 132338147 /nfs/dbraw/zinc/33/81/47/132338147.db2.gz MAHSGHGAVSNWNG-SNVBAGLBSA-N 1 0 238.262 0.425 10 0 BCAERO C[C@H]1COCCN1c1cc(C[NH3+])ccn1 ZINC000035773386 132339089 /nfs/dbraw/zinc/33/90/89/132339089.db2.gz ZKZSEBBAQCTHAQ-VIFPVBQESA-N 1 0 207.277 0.765 10 0 BCAERO C[C@@H]1COCCN1c1cc(C[NH3+])ccn1 ZINC000035773385 132339196 /nfs/dbraw/zinc/33/91/96/132339196.db2.gz ZKZSEBBAQCTHAQ-SECBINFHSA-N 1 0 207.277 0.765 10 0 BCAERO Cc1cccc2c1C(=O)N[C@@H]1C[NH2+]CCN21 ZINC000035940246 132339989 /nfs/dbraw/zinc/33/99/89/132339989.db2.gz RGCZEETYNQZRTH-JTQLQIEISA-N 1 0 217.272 0.474 10 0 BCAERO CC(=O)N1CCN(c2cc(C)c(N)c[nH+]2)CC1 ZINC000036250888 132341652 /nfs/dbraw/zinc/34/16/52/132341652.db2.gz IWYZORDGTHIEGJ-UHFFFAOYSA-N 1 0 234.303 0.641 10 0 BCAERO Cc1ccc(N2CCN(CC[NH3+])CC2)nc1 ZINC000037039476 132343388 /nfs/dbraw/zinc/34/33/88/132343388.db2.gz OVCLAYWIWZVETL-UHFFFAOYSA-N 1 0 220.320 0.471 10 0 BCAERO CCCc1cc(N2CCN(CC[NH3+])CC2)ncn1 ZINC000040765470 132348570 /nfs/dbraw/zinc/34/85/70/132348570.db2.gz WBVUEFAYVAJLOX-UHFFFAOYSA-N 1 0 249.362 0.510 10 0 BCAERO Cc1cc(N2CCO[C@@H](C[NH3+])C2)nc(C)n1 ZINC000041059047 132349435 /nfs/dbraw/zinc/34/94/35/132349435.db2.gz ALUBNBVWDKVEBA-JTQLQIEISA-N 1 0 222.292 0.257 10 0 BCAERO NC(=O)[C@H]1CCCCN1c1cc(C[NH3+])ccn1 ZINC000042403546 132351151 /nfs/dbraw/zinc/35/11/51/132351151.db2.gz KPCJPJCUNMKRMP-SNVBAGLBSA-N 1 0 234.303 0.385 10 0 BCAERO Cc1ccc(C[NH3+])c(N2CCC[C@@H](O)C2)n1 ZINC000043395693 132353157 /nfs/dbraw/zinc/35/31/57/132353157.db2.gz XAJVEJFUWYEKIS-LLVKDONJSA-N 1 0 221.304 0.810 10 0 BCAERO Cc1ccc(N2CCC[C@H](C[NH3+])C2)nn1 ZINC000044532176 132354458 /nfs/dbraw/zinc/35/44/58/132354458.db2.gz LOCMKMSIXRGESY-SNVBAGLBSA-N 1 0 206.293 0.960 10 0 BCAERO C[NH2+]Cc1ccccc1N1CCS(=O)CC1 ZINC000049692200 132356300 /nfs/dbraw/zinc/35/63/00/132356300.db2.gz BRBQEPWIKUUNFV-UHFFFAOYSA-N 1 0 238.356 0.975 10 0 BCAERO C[NH2+]Cc1ccc(N2CCO[C@@H](C)C2)nn1 ZINC000051400215 132361075 /nfs/dbraw/zinc/36/10/75/132361075.db2.gz MKEWKURUPWFXHN-VIFPVBQESA-N 1 0 222.292 0.421 10 0 BCAERO CC[NH2+]C[C@H](C)N1CCN(c2ncccn2)CC1 ZINC000052418432 132362200 /nfs/dbraw/zinc/36/22/00/132362200.db2.gz CAIRZOPJSUNZFS-LBPRGKRZSA-N 1 0 249.362 0.597 10 0 BCAERO COc1ccnc(N2C[C@@H](C)[NH2+][C@H](C)C2)n1 ZINC000053712154 132363605 /nfs/dbraw/zinc/36/36/05/132363605.db2.gz JUFCSBMQHBOQPO-RKDXNWHRSA-N 1 0 222.292 0.672 10 0 BCAERO C[C@H]1C[NH2+]CCN1c1ccc(Cl)nn1 ZINC000054374884 132364431 /nfs/dbraw/zinc/36/44/31/132364431.db2.gz WQFIYKMYHMQVFA-ZETCQYMHSA-N 1 0 212.684 0.928 10 0 BCAERO Cc1cc(N2CC[NH2+]C[C@H]2C)n2ncnc2n1 ZINC000054374983 132364413 /nfs/dbraw/zinc/36/44/13/132364413.db2.gz UVTHHUQDDOGNCR-SECBINFHSA-N 1 0 232.291 0.231 10 0 BCAERO C[C@@H]1CN(c2nccnc2C[NH3+])CCO1 ZINC000054376889 132364415 /nfs/dbraw/zinc/36/44/15/132364415.db2.gz VOAZIXAJWJLNNP-MRVPVSSYSA-N 1 0 208.265 0.160 10 0 BCAERO CC1(C)COCCN1c1nccnc1C(N)=[NH2+] ZINC000054379827 132364526 /nfs/dbraw/zinc/36/45/26/132364526.db2.gz TXCMGEFGBPNEBG-UHFFFAOYSA-N 1 0 235.291 0.376 10 0 BCAERO [NH3+]Cc1nccnc1N1CCCC[C@H]1CO ZINC000054377504 132364665 /nfs/dbraw/zinc/36/46/65/132364665.db2.gz QUNRJUJBJUMOMW-VIFPVBQESA-N 1 0 222.292 0.287 10 0 BCAERO C[C@H](C[NH3+])CN1CCN(c2ncccn2)CC1 ZINC000057402537 132365698 /nfs/dbraw/zinc/36/56/98/132365698.db2.gz QSPQOWWJTSBXEZ-LLVKDONJSA-N 1 0 235.335 0.193 10 0 BCAERO CCn1ccnc(N2CC[NH2+]C[C@H]2C)c1=O ZINC000061768501 132387161 /nfs/dbraw/zinc/38/71/61/132387161.db2.gz UIFGELCIEPZBRG-SECBINFHSA-N 1 0 222.292 0.061 10 0 BCAERO COC1CCN(c2ccnc(C(N)=[NH2+])c2)CC1 ZINC000061814090 132387117 /nfs/dbraw/zinc/38/71/17/132387117.db2.gz SVFZUYVYCURTMP-UHFFFAOYSA-N 1 0 234.303 0.981 10 0 BCAERO [NH3+][C@@H]1CCCN(c2nccn(C3CC3)c2=O)C1 ZINC000061767864 132387248 /nfs/dbraw/zinc/38/72/48/132387248.db2.gz KMJBBEHBNUFGSB-SECBINFHSA-N 1 0 234.303 0.506 10 0 BCAERO CCn1ccnc(N2CCCC[C@@H]2C[NH3+])c1=O ZINC000061768059 132387321 /nfs/dbraw/zinc/38/73/21/132387321.db2.gz OTCYITKXYPPIER-SNVBAGLBSA-N 1 0 236.319 0.581 10 0 BCAERO [NH3+]Cc1ccc(N2CCn3ccnc3C2)nn1 ZINC000062324446 132387351 /nfs/dbraw/zinc/38/73/51/132387351.db2.gz KPWTZIRTUSWZBO-UHFFFAOYSA-N 1 0 230.275 0.152 10 0 BCAERO NC(=[NH2+])c1ccc(N2CCn3ccnc3C2)nc1 ZINC000062252596 132387622 /nfs/dbraw/zinc/38/76/22/132387622.db2.gz QMGUPZFYHMHGKB-UHFFFAOYSA-N 1 0 242.286 0.582 10 0 BCAERO O=C([C@@H]1C[NH2+]CCN1)N1CCCc2ccccc21 ZINC000062812490 132388787 /nfs/dbraw/zinc/38/87/87/132388787.db2.gz CUZFATVDJQPSFF-LBPRGKRZSA-N 1 0 245.326 0.527 10 0 BCAERO [NH3+]C[C@H](O)CN1CCN(c2ccccc2)CC1 ZINC000019274599 132451111 /nfs/dbraw/zinc/45/11/11/132451111.db2.gz ICEDNRZKRXEBEA-ZDUSSCGKSA-N 1 0 235.331 0.128 10 0 BCAERO C[NH2+]CCNc1nccn2nc(C)cc12 ZINC000156980197 133477060 /nfs/dbraw/zinc/47/70/60/133477060.db2.gz XQZJFTTZFWZRML-UHFFFAOYSA-N 1 0 205.265 0.669 10 0 BCAERO CCOC[C@@H](O)C[N@@H+]1CC[C@H](CCO)C1 ZINC000161622167 133514669 /nfs/dbraw/zinc/51/46/69/133514669.db2.gz CNMMXWFILNFELA-MNOVXSKESA-N 1 0 217.309 0.088 10 0 BCAERO C[C@H]([NH2+]C[C@H]1CN(C)CCO1)[C@@H]1CCOC1 ZINC000221960413 133526226 /nfs/dbraw/zinc/52/62/26/133526226.db2.gz JFUVZULHNVOQCF-TUAOUCFPSA-N 1 0 228.336 0.332 10 0 BCAERO C[C@@H]([NH3+])CCNC(=O)CC[C@@H]1CCCO1 ZINC000083524517 133526593 /nfs/dbraw/zinc/52/65/93/133526593.db2.gz UFNXTLKBPQSOND-ZJUUUORDSA-N 1 0 214.309 0.799 10 0 BCAERO C[C@@H]1CN(C(=O)C2([NH3+])CCC2)C[C@@H](C)O1 ZINC000088049986 133545821 /nfs/dbraw/zinc/54/58/21/133545821.db2.gz MBOAANQJAVCDDB-RKDXNWHRSA-N 1 0 212.293 0.504 10 0 BCAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)[C@H]1CCCOC1 ZINC000252554265 133649839 /nfs/dbraw/zinc/64/98/39/133649839.db2.gz RNLSGENNIHKGQT-GARJFASQSA-N 1 0 226.320 0.670 10 0 BCAERO Cc1nn(C)cc1C(=O)NC[C@H]1CC[NH2+]C1 ZINC000230073083 133666793 /nfs/dbraw/zinc/66/67/93/133666793.db2.gz YGEKUJVSABZPPK-VIFPVBQESA-N 1 0 222.292 0.068 10 0 BCAERO Cc1ccncc1C(=O)N1CC[C@H]([NH3+])[C@H]1C ZINC000335432896 133844764 /nfs/dbraw/zinc/84/47/64/133844764.db2.gz FGOJAECXCMAZLW-KOLCDFICSA-N 1 0 219.288 0.952 10 0 BCAERO O=C(NC1C[NH2+]C1)c1cc(Cl)ccn1 ZINC000335425034 133863205 /nfs/dbraw/zinc/86/32/05/133863205.db2.gz VKEGUBJGDQCKIY-UHFFFAOYSA-N 1 0 211.652 0.437 10 0 BCAERO CC[NH2+]CCNc1cnn(C)c(=O)c1Cl ZINC000167904420 134154502 /nfs/dbraw/zinc/15/45/02/134154502.db2.gz WZKAKAJRRKKHRZ-UHFFFAOYSA-N 1 0 230.699 0.455 10 0 BCAERO C[C@@H]1CN(C(=O)[C@@H]2CC[C@H]([NH3+])C2)[C@@H](C)CO1 ZINC000085010407 134221208 /nfs/dbraw/zinc/22/12/08/134221208.db2.gz OPBMUONPHRZCBG-ZDCRXTMVSA-N 1 0 226.320 0.750 10 0 BCAERO [NH3+][C@@H]1CC[C@H](C(=O)NCCc2cscn2)C1 ZINC000085013320 134221457 /nfs/dbraw/zinc/22/14/57/134221457.db2.gz GDKXHVGEOPKUQF-DTWKUNHWSA-N 1 0 239.344 0.929 10 0 BCAERO CSCCCNC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000085013387 134221580 /nfs/dbraw/zinc/22/15/80/134221580.db2.gz WRMISLQCHGZZBE-DTWKUNHWSA-N 1 0 216.350 0.983 10 0 BCAERO COc1cc(N2CC[C@@H]([C@H](C)[NH3+])C2)ncn1 ZINC000168573776 134227232 /nfs/dbraw/zinc/22/72/32/134227232.db2.gz SQBRECFSDOUAJG-DTWKUNHWSA-N 1 0 222.292 0.659 10 0 BCAERO CO[C@H](C)C(=O)N1C[C@H]([NH+](C)C)[C@@H](C)C1 ZINC000168739416 134247873 /nfs/dbraw/zinc/24/78/73/134247873.db2.gz BOBCPBKTMWQPQN-AEJSXWLSSA-N 1 0 214.309 0.430 10 0 BCAERO C[NH2+]CC(=O)NCCc1cccc(O)c1 ZINC000169809521 134251814 /nfs/dbraw/zinc/25/18/14/134251814.db2.gz QJECVFPMGNMMBZ-UHFFFAOYSA-N 1 0 208.261 0.270 10 0 BCAERO CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C)COC)C1 ZINC000170893566 134254526 /nfs/dbraw/zinc/25/45/26/134254526.db2.gz MFUSCKQBGPZZRB-WDEREUQCSA-N 1 0 228.336 0.869 10 0 BCAERO COc1ccc(C(=O)NC2C[NH2+]C2)cc1F ZINC000085255760 134262277 /nfs/dbraw/zinc/26/22/77/134262277.db2.gz ITTXLMKQJFWZSP-UHFFFAOYSA-N 1 0 224.235 0.536 10 0 BCAERO CN(C(=O)Cc1cccnc1)C1C[NH2+]C1 ZINC000085257653 134269545 /nfs/dbraw/zinc/26/95/45/134269545.db2.gz VBMXSRWRVBYDCR-UHFFFAOYSA-N 1 0 205.261 0.054 10 0 BCAERO CN(C(=O)[C@@H](O)c1ccccc1)C1C[NH2+]C1 ZINC000085257724 134269693 /nfs/dbraw/zinc/26/96/93/134269693.db2.gz KGBAXUWTZGQPBA-NSHDSACASA-N 1 0 220.272 0.150 10 0 BCAERO CN(C(=O)[C@H]1CCCS1)C1C[NH2+]C1 ZINC000085257789 134270164 /nfs/dbraw/zinc/27/01/64/134270164.db2.gz IUFAOOZBWYVTQK-MRVPVSSYSA-N 1 0 200.307 0.312 10 0 BCAERO Cc1nc(C)n(C[C@@H]2CCC[N@H+](CCO)C2)n1 ZINC000177712274 134301717 /nfs/dbraw/zinc/30/17/17/134301717.db2.gz KFDBRNOOPYPXRI-GFCCVEGCSA-N 1 0 238.335 0.599 10 0 BCAERO COC(=O)CN(C)C[C@@H]1CCC[NH2+]C1 ZINC000220363535 134306115 /nfs/dbraw/zinc/30/61/15/134306115.db2.gz SVWUVIHATNYUEQ-SECBINFHSA-N 1 0 200.282 0.091 10 0 BCAERO Nc1cccc(C(=O)N2CCC[C@H]([NH3+])C2)c1 ZINC000178327823 134308535 /nfs/dbraw/zinc/30/85/35/134308535.db2.gz KZRGKKGFHHKBNQ-NSHDSACASA-N 1 0 219.288 0.832 10 0 BCAERO C[C@H](O)CCC[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000220599812 134309728 /nfs/dbraw/zinc/30/97/28/134309728.db2.gz AUKTZPOCWZEEAW-QWHCGFSZSA-N 1 0 242.363 0.554 10 0 BCAERO C[C@@H]([NH3+])CCNC(=O)CN1CCCCCC1=O ZINC000178650016 134312503 /nfs/dbraw/zinc/31/25/03/134312503.db2.gz UOKISWWKJHONKK-SNVBAGLBSA-N 1 0 241.335 0.243 10 0 BCAERO CCC[C@@H](C(=O)N1CCO[C@H](C)C1)[NH+](C)C ZINC000178643407 134312636 /nfs/dbraw/zinc/31/26/36/134312636.db2.gz AXMQLXQHXIFPHL-MNOVXSKESA-N 1 0 228.336 0.964 10 0 BCAERO CSCCC[N@@H+]1C[C@H](O)C[C@@H]1CO ZINC000179174152 134318137 /nfs/dbraw/zinc/31/81/37/134318137.db2.gz JBPWEABNLYZMKT-RKDXNWHRSA-N 1 0 205.323 0.167 10 0 BCAERO COC1CC([NH2+]CCn2cc(C)cn2)C1 ZINC000221085018 134318582 /nfs/dbraw/zinc/31/85/82/134318582.db2.gz DMZPZFFVXSSZPB-UHFFFAOYSA-N 1 0 209.293 0.959 10 0 BCAERO Cc1nc(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)no1 ZINC000179941006 134325366 /nfs/dbraw/zinc/32/53/66/134325366.db2.gz MIYUUIIBMGYGRA-SECBINFHSA-N 1 0 236.275 0.298 10 0 BCAERO COC[C@H]([NH2+][C@@H]1CCc2ncnn2C1)C1CC1 ZINC000180581159 134329676 /nfs/dbraw/zinc/32/96/76/134329676.db2.gz CYYPXRFNCCRSDT-MNOVXSKESA-N 1 0 236.319 0.608 10 0 BCAERO COC[C@H]([NH2+][C@H]1CCc2ncnn2C1)C1CC1 ZINC000180581189 134329842 /nfs/dbraw/zinc/32/98/42/134329842.db2.gz CYYPXRFNCCRSDT-QWRGUYRKSA-N 1 0 236.319 0.608 10 0 BCAERO c1cc(CN2CC[N@@H+]3CCC[C@@H]3C2)on1 ZINC000225770282 134357424 /nfs/dbraw/zinc/35/74/24/134357424.db2.gz MXEJQFUHEDAXHC-SNVBAGLBSA-N 1 0 207.277 0.955 10 0 BCAERO C[C@H](O)CC[N@@H+]1C[C@@H](C)[C@@H](N(C)C)C1 ZINC000226095633 134358834 /nfs/dbraw/zinc/35/88/34/134358834.db2.gz KXTBJROIBZLLOH-VWYCJHECSA-N 1 0 200.326 0.639 10 0 BCAERO C[C@H](CO)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1O ZINC000226237517 134361974 /nfs/dbraw/zinc/36/19/74/134361974.db2.gz NODCZEGACAXGER-LMLFDSFASA-N 1 0 201.310 0.896 10 0 BCAERO CCCCOC(=O)CC[N@@H+]1C[C@@H](O)C[C@@H]1CO ZINC000185141490 134371629 /nfs/dbraw/zinc/37/16/29/134371629.db2.gz WJSITJCAJQLJGT-MNOVXSKESA-N 1 0 245.319 0.147 10 0 BCAERO CN(c1ncncc1Br)C1C[NH2+]C1 ZINC000085467209 134374468 /nfs/dbraw/zinc/37/44/68/134374468.db2.gz HLNXKIBRHQAXCQ-UHFFFAOYSA-N 1 0 243.108 0.647 10 0 BCAERO COCCOCCN1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000227099068 134374653 /nfs/dbraw/zinc/37/46/53/134374653.db2.gz HWNSBZFGKUNSCD-STQMWFEESA-N 1 0 242.363 0.818 10 0 BCAERO CC[C@H](O)C[N@@H+]1C[C@@H](C)[C@H](N(C)C)C1 ZINC000227234290 134376207 /nfs/dbraw/zinc/37/62/07/134376207.db2.gz HUHUVXFDFQMHAQ-OUAUKWLOSA-N 1 0 200.326 0.639 10 0 BCAERO CC(C)OC[C@H](O)CN1C[C@@H](C)[C@H]([NH+](C)C)C1 ZINC000227234345 134376284 /nfs/dbraw/zinc/37/62/84/134376284.db2.gz LHVSNQSDOPARLA-JHJVBQTASA-N 1 0 244.379 0.654 10 0 BCAERO CCOC[C@H](O)CN1C[C@@H](C)[C@H]([NH+](C)C)C1 ZINC000227234267 134376379 /nfs/dbraw/zinc/37/63/79/134376379.db2.gz PTNJZFGBTUDYBG-IJLUTSLNSA-N 1 0 230.352 0.266 10 0 BCAERO CCCn1cc(C[NH2+][C@H]2CCCNC2=O)cn1 ZINC000227286190 134379731 /nfs/dbraw/zinc/37/97/31/134379731.db2.gz CSCHTPHZDUEHOI-NSHDSACASA-N 1 0 236.319 0.661 10 0 BCAERO CC[C@H](C)NC(=O)C[N@@H+]1CC[C@@H](CCO)C1 ZINC000227574368 134385419 /nfs/dbraw/zinc/38/54/19/134385419.db2.gz BPFXCSAJPVUJHJ-QWRGUYRKSA-N 1 0 228.336 0.605 10 0 BCAERO CCCCOC[C@H](O)C[NH2+][C@@H]1CCO[C@@H]1C ZINC000227895232 134398189 /nfs/dbraw/zinc/39/81/89/134398189.db2.gz WYWPVYBCDRYXEC-IJLUTSLNSA-N 1 0 231.336 0.931 10 0 BCAERO CCCCOC[C@@H](O)C[N@@H+]1CCC[C@@H](O)C1 ZINC000227906012 134398717 /nfs/dbraw/zinc/39/87/17/134398717.db2.gz PWBIQEUMJWDWTO-NEPJUHHUSA-N 1 0 231.336 0.621 10 0 BCAERO COC(=O)[C@H](C)C[NH2+][C@H](C)[C@@H](C)CO ZINC000228721113 134429760 /nfs/dbraw/zinc/42/97/60/134429760.db2.gz VWHVWJSQUUIKDV-HRDYMLBCSA-N 1 0 203.282 0.402 10 0 BCAERO CC(C)N(CC(N)=O)C(=O)[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000232635498 134553301 /nfs/dbraw/zinc/55/33/01/134553301.db2.gz VQZWJZRAFJEEPX-VHSXEESVSA-N 1 0 241.335 0.097 10 0 BCAERO CCCCS(=O)(=O)NC[C@H](C)[NH2+]C ZINC000233001065 134558149 /nfs/dbraw/zinc/55/81/49/134558149.db2.gz PRPOPEIZXLNZMU-QMMMGPOBSA-N 1 0 208.327 0.314 10 0 BCAERO CCCOCC(=O)N1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000233223888 134560884 /nfs/dbraw/zinc/56/08/84/134560884.db2.gz VTMKLDBWFCZFGI-BDAKNGLRSA-N 1 0 200.282 0.219 10 0 BCAERO CCC[C@H](C(=O)OCC)N1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000233294135 134561582 /nfs/dbraw/zinc/56/15/82/134561582.db2.gz ZXBWISRDVMJQIX-OUAUKWLOSA-N 1 0 228.336 0.997 10 0 BCAERO CCOC(=O)COCC[NH2+][C@H](C)[C@H]1CCCO1 ZINC000233682595 134565438 /nfs/dbraw/zinc/56/54/38/134565438.db2.gz FJPMLAIAFMYTGX-GHMZBOCLSA-N 1 0 245.319 0.723 10 0 BCAERO C[C@@H]([NH2+]CCN1C(=O)CCC1=O)[C@@H]1CCCO1 ZINC000193130171 134590624 /nfs/dbraw/zinc/59/06/24/134590624.db2.gz QILYWAAIEZZSGH-ZJUUUORDSA-N 1 0 240.303 0.293 10 0 BCAERO C[C@H]1CN(C(=O)CCn2ccnc2)C[C@@H]1[NH3+] ZINC000235657317 134596883 /nfs/dbraw/zinc/59/68/83/134596883.db2.gz VZUUIDZGCKWCSA-UWVGGRQHSA-N 1 0 222.292 0.079 10 0 BCAERO COC(=O)[C@H]1CCC[N@@H+]([C@@H]2CCOC2)C1 ZINC000131081203 134626781 /nfs/dbraw/zinc/62/67/81/134626781.db2.gz DNJFYKADNNYCPF-VHSXEESVSA-N 1 0 213.277 0.660 10 0 BCAERO COC[C@H](C)C(=O)N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000153565780 134640225 /nfs/dbraw/zinc/64/02/25/134640225.db2.gz QBTRHGNGXBZWSK-IVZWLZJFSA-N 1 0 214.309 0.478 10 0 BCAERO COC(=O)[C@H](C)C[N@H+](C)CC(C)(C)O ZINC000050068826 134646693 /nfs/dbraw/zinc/64/66/93/134646693.db2.gz UMLWIZPWVQDKGE-MRVPVSSYSA-N 1 0 203.282 0.498 10 0 BCAERO C[C@H](CC[NH3+])Nc1nnnn1-c1ccccc1 ZINC000134270768 134705588 /nfs/dbraw/zinc/70/55/88/134705588.db2.gz MQWKAEKDAPMJIT-SECBINFHSA-N 1 0 232.291 0.812 10 0 BCAERO CCOC(=O)CC[NH2+][C@@H]1CCO[C@@H]1C ZINC000134390346 134709120 /nfs/dbraw/zinc/70/91/20/134709120.db2.gz CLEVYBQLRJWOKP-RKDXNWHRSA-N 1 0 201.266 0.707 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N1c2ccccc2C[C@H]1C ZINC000159564474 134779935 /nfs/dbraw/zinc/77/99/35/134779935.db2.gz WOKXHNGOPKPQFQ-MWLCHTKSSA-N 1 0 234.299 0.938 10 0 BCAERO C[C@@H]1CN(C(=O)C2CCSCC2)C[C@@H]1[NH3+] ZINC000335589429 134850840 /nfs/dbraw/zinc/85/08/40/134850840.db2.gz CFFWAPLLASJUEH-SCZZXKLOSA-N 1 0 228.361 0.935 10 0 BCAERO C[C@@H](C(=O)N1CCO[C@H](C[NH+](C)C)C1)C1CC1 ZINC000175341563 134898119 /nfs/dbraw/zinc/89/81/19/134898119.db2.gz GJEGBLXEYIOAPK-ZYHUDNBSSA-N 1 0 240.347 0.822 10 0 BCAERO Cc1cc(NC[C@@H]([NH3+])C(C)C)n2ncnc2n1 ZINC000070447775 134918980 /nfs/dbraw/zinc/91/89/80/134918980.db2.gz QAJGCFVXDSRGJQ-SECBINFHSA-N 1 0 234.307 0.828 10 0 BCAERO CC[C@@H]([NH3+])CNc1nccn2c(C)nnc12 ZINC000070616679 134921366 /nfs/dbraw/zinc/92/13/66/134921366.db2.gz QFPCCFYFNRXVJO-MRVPVSSYSA-N 1 0 220.280 0.582 10 0 BCAERO C[C@H](C[NH2+][C@@H](C)[C@H]1CCOC1)N1CCOCC1 ZINC000247060940 134970734 /nfs/dbraw/zinc/97/07/34/134970734.db2.gz NUKVPYTUNAWXTR-AGIUHOORSA-N 1 0 242.363 0.722 10 0 BCAERO COC(=O)[C@@H](C)C[N@@H+]1C[C@H](CO)OC(C)(C)C1 ZINC000163227336 134979915 /nfs/dbraw/zinc/97/99/15/134979915.db2.gz LKKMRHAEHUHFPT-VHSXEESVSA-N 1 0 245.319 0.267 10 0 BCAERO CO[C@@H](C)CN1CCO[C@@H](C[NH+](C)C)C1 ZINC000248447259 135010894 /nfs/dbraw/zinc/01/08/94/135010894.db2.gz XAKYSVPEWTVBRA-QWRGUYRKSA-N 1 0 216.325 0.284 10 0 BCAERO CC[C@H]1CC[C@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC000070760280 135011687 /nfs/dbraw/zinc/01/16/87/135011687.db2.gz JIWYHENMSRKMAE-UWVGGRQHSA-N 1 0 234.365 0.704 10 0 BCAERO C[C@H](O)C[N@@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000248656043 135018709 /nfs/dbraw/zinc/01/87/09/135018709.db2.gz QZMBXTTWGFXURD-CMPLNLGQSA-N 1 0 222.288 0.916 10 0 BCAERO CCOC[C@@H](O)C[N@@H+]1CCC[C@H]1CCCO ZINC000250466045 135055160 /nfs/dbraw/zinc/05/51/60/135055160.db2.gz BIHKERGCQCJGSF-RYUDHWBXSA-N 1 0 231.336 0.621 10 0 BCAERO C[C@H](O)CCN1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000251759507 135076811 /nfs/dbraw/zinc/07/68/11/135076811.db2.gz LTDIZPKQIYXLAW-SDDRHHMPSA-N 1 0 212.337 0.926 10 0 BCAERO C[C@@H]1CCC[C@@H]1NC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000252173036 135085647 /nfs/dbraw/zinc/08/56/47/135085647.db2.gz OIQHWHQHDMAGAF-DOLQZWNJSA-N 1 0 212.293 0.014 10 0 BCAERO CO[C@H](C)C[N@@H+]1CCC[C@@H](n2cncn2)C1 ZINC000248408345 135087253 /nfs/dbraw/zinc/08/72/53/135087253.db2.gz CCCOUKQTKBHTIQ-GHMZBOCLSA-N 1 0 224.308 0.950 10 0 BCAERO CC[C@H](O)C[N@@H+]1CCN(CCOC)[C@@H](C)C1 ZINC000252352614 135088008 /nfs/dbraw/zinc/08/80/08/135088008.db2.gz MFWXAPNWHSHCGT-RYUDHWBXSA-N 1 0 230.352 0.410 10 0 BCAERO Cc1c(CN2CCC[C@H]([NH3+])C2)cnn1C ZINC000086552421 135089412 /nfs/dbraw/zinc/08/94/12/135089412.db2.gz MALMXRKWLSUFDC-NSHDSACASA-N 1 0 208.309 0.652 10 0 BCAERO Cc1c(CN(C)[C@H]2CC[NH2+]C2)cnn1C ZINC000086552433 135089535 /nfs/dbraw/zinc/08/95/35/135089535.db2.gz HHPVLVMRUJOZPV-NSHDSACASA-N 1 0 208.309 0.522 10 0 BCAERO COC(=O)[C@@H](C)C[N@@H+]1CCOC[C@H]1C ZINC000252448260 135090040 /nfs/dbraw/zinc/09/00/40/135090040.db2.gz UPGUUWDDZSKWAJ-DTWKUNHWSA-N 1 0 201.266 0.516 10 0 BCAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1CC(C)(C)O ZINC000252675118 135094520 /nfs/dbraw/zinc/09/45/20/135094520.db2.gz WYUBIFVZIHVNGK-MNOVXSKESA-N 1 0 212.337 0.926 10 0 BCAERO C[C@H](O)CCN(C)C(=O)[C@H]1CCC[C@H]1[NH3+] ZINC000252710368 135099881 /nfs/dbraw/zinc/09/98/81/135099881.db2.gz GKRYLKVHXAJVTJ-LPEHRKFASA-N 1 0 214.309 0.343 10 0 BCAERO C[C@@H]1OCC[C@H]1NC(=O)C[C@H]1CCC[NH2+]1 ZINC000252739257 135105726 /nfs/dbraw/zinc/10/57/26/135105726.db2.gz FOZRBRSWLPCKQQ-IVZWLZJFSA-N 1 0 212.293 0.422 10 0 BCAERO COCCNC(=O)[C@H]1CCC[NH2+][C@H]1C ZINC000087121913 135107098 /nfs/dbraw/zinc/10/70/98/135107098.db2.gz SPFBZCBHGVVPOO-IUCAKERBSA-N 1 0 200.282 0.137 10 0 BCAERO C[C@H]1[NH2+]CCC[C@@H]1C(=O)N1CCCOCC1 ZINC000087122887 135107383 /nfs/dbraw/zinc/10/73/83/135107383.db2.gz WXRGRPPKUBMMNA-MNOVXSKESA-N 1 0 226.320 0.623 10 0 BCAERO CCC[C@](C)([NH3+])C(=O)N[C@H](C)[C@H](C)CO ZINC000252777048 135108479 /nfs/dbraw/zinc/10/84/79/135108479.db2.gz OQEGGCOCPVSMPN-KKZNHRDASA-N 1 0 216.325 0.637 10 0 BCAERO C1OCC1[NH2+][C@@H]1CCO[C@@]2(CCOC2)C1 ZINC000087195478 135111310 /nfs/dbraw/zinc/11/13/10/135111310.db2.gz GHCZYTUYGRAWFA-KOLCDFICSA-N 1 0 213.277 0.313 10 0 BCAERO C[C@H]([NH3+])[C@H](C)C(=O)NC[C@H]1CCC[C@@H]1O ZINC000252856325 135113729 /nfs/dbraw/zinc/11/37/29/135113729.db2.gz KRXTWGGYVIGNLN-QEYWKRMJSA-N 1 0 214.309 0.247 10 0 BCAERO CC[C@H](C)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](CCO)C1 ZINC000252890874 135116160 /nfs/dbraw/zinc/11/61/60/135116160.db2.gz IRGBSMDKPOFLJH-QJPTWQEYSA-N 1 0 242.363 0.994 10 0 BCAERO CC(C)C[C@H](CO)[NH2+][C@H](C)C[C@H]1COCCN1 ZINC000252971734 135118382 /nfs/dbraw/zinc/11/83/82/135118382.db2.gz YNMOJHOWRJGDKN-UPJWGTAASA-N 1 0 244.379 0.750 10 0 BCAERO COC(=O)[C@@H](C)C[N@@H+]1CCC[C@](C)(O)C1 ZINC000253082437 135119993 /nfs/dbraw/zinc/11/99/93/135119993.db2.gz XEDIKBSFVIBBCH-ONGXEEELSA-N 1 0 215.293 0.642 10 0 BCAERO C[C@@H]1CC[NH2+][C@H](C(=O)NC[C@H]2CCC[C@H]2O)C1 ZINC000253151452 135122368 /nfs/dbraw/zinc/12/23/68/135122368.db2.gz HIWRIHZDQHPYHN-WISYIIOYSA-N 1 0 240.347 0.652 10 0 BCAERO COC(=O)[C@H](C)C[N@@H+]1CC[C@@H](O)[C@H](C)C1 ZINC000253184143 135123124 /nfs/dbraw/zinc/12/31/24/135123124.db2.gz JPRFMVRJNQSREM-OPRDCNLKSA-N 1 0 215.293 0.498 10 0 BCAERO O=C(N[C@@H]1CCOC1)N[C@@H]1CCCC[NH2+]C1 ZINC000087313964 135123317 /nfs/dbraw/zinc/12/33/17/135123317.db2.gz PEFBVLXRSWRIEQ-NXEZZACHSA-N 1 0 227.308 0.217 10 0 BCAERO CC(C)[NH2+]CCN1CC[C@@H](O)[C@H](C)C1 ZINC000253199145 135123951 /nfs/dbraw/zinc/12/39/51/135123951.db2.gz SQIMQDQIWXQEMT-GHMZBOCLSA-N 1 0 200.326 0.687 10 0 BCAERO CCn1ncnc1CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000253355277 135127171 /nfs/dbraw/zinc/12/71/71/135127171.db2.gz UQYHOPHMRZGIPW-NSHDSACASA-N 1 0 235.335 0.578 10 0 BCAERO O=C(NCc1ccc(F)cc1)NC1C[NH2+]C1 ZINC000258144871 135132272 /nfs/dbraw/zinc/13/22/72/135132272.db2.gz MQSGJRSVFHFPRT-UHFFFAOYSA-N 1 0 223.251 0.597 10 0 BCAERO O=C(NC1C[NH2+]C1)N[C@H]1CCCSC1 ZINC000258521720 135132928 /nfs/dbraw/zinc/13/29/28/135132928.db2.gz NDNGGHDNUPZOHG-ZETCQYMHSA-N 1 0 215.322 0.153 10 0 BCAERO Cc1cc(N2CC[C@]3(CC[NH2+]C3)C2)ncn1 ZINC000257664640 135138152 /nfs/dbraw/zinc/13/81/52/135138152.db2.gz CNYIQZOTROPQAR-LBPRGKRZSA-N 1 0 218.304 0.975 10 0 BCAERO Cc1cc(N2CC[C@@]3(CC[NH2+]C3)C2)ncn1 ZINC000257664637 135138555 /nfs/dbraw/zinc/13/85/55/135138555.db2.gz CNYIQZOTROPQAR-GFCCVEGCSA-N 1 0 218.304 0.975 10 0 BCAERO Cc1ccnc(N2CC[C@H](N3CC[NH2+]CC3)C2)c1 ZINC000257691233 135139142 /nfs/dbraw/zinc/13/91/42/135139142.db2.gz JFJZAFPGWVPGDR-ZDUSSCGKSA-N 1 0 246.358 0.874 10 0 BCAERO CCOCCCC(=O)NCC[C@@H](C)[NH3+] ZINC000087437088 135140349 /nfs/dbraw/zinc/14/03/49/135140349.db2.gz HSBGHQCYNJPMRJ-SECBINFHSA-N 1 0 202.298 0.657 10 0 BCAERO C[C@H]1C[C@H](CNC(=O)C2C[NH2+]C2)CCO1 ZINC000261545729 135150569 /nfs/dbraw/zinc/15/05/69/135150569.db2.gz KGIMYWQVUBAOQO-DTWKUNHWSA-N 1 0 212.293 0.137 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N1[C@H](C)CC[C@@H]1C ZINC000261530277 135157721 /nfs/dbraw/zinc/15/77/21/135157721.db2.gz CECGHIQFMLBRLT-HRDYMLBCSA-N 1 0 200.282 0.360 10 0 BCAERO C[C@H](C[NH3+])C(=O)N1[C@H](C)COC[C@H]1C ZINC000261531899 135161527 /nfs/dbraw/zinc/16/15/27/135161527.db2.gz IHUQDEJHQYQEPN-IWSPIJDZSA-N 1 0 200.282 0.217 10 0 BCAERO CSCCC(=O)NC[C@@H]1CC[NH2+]C1 ZINC000087654669 135161711 /nfs/dbraw/zinc/16/17/11/135161711.db2.gz XEOFNRBGFQDQNO-MRVPVSSYSA-N 1 0 202.323 0.465 10 0 BCAERO O=C(NC[C@@H]1CC[NH2+]C1)[C@@H]1CCCCO1 ZINC000087654685 135161848 /nfs/dbraw/zinc/16/18/48/135161848.db2.gz LWTHWQVHNAIVGC-ZJUUUORDSA-N 1 0 212.293 0.281 10 0 BCAERO O=C(NC[C@H]1CC[NH2+]C1)[C@@H]1CCCS1 ZINC000087654738 135162058 /nfs/dbraw/zinc/16/20/58/135162058.db2.gz NETCVGIFOGDXHM-IUCAKERBSA-N 1 0 214.334 0.608 10 0 BCAERO O=C(NC[C@H]1CC[NH2+]C1)NC1CCCC1 ZINC000087655046 135162125 /nfs/dbraw/zinc/16/21/25/135162125.db2.gz ZMOJUJOGEFMPNA-VIFPVBQESA-N 1 0 211.309 0.838 10 0 BCAERO C[C@H]1CN(C)CCN1C(=O)C[C@H]1CC[NH2+]C1 ZINC000261532382 135162195 /nfs/dbraw/zinc/16/21/95/135162195.db2.gz AGMSZDRYXBMQET-WDEREUQCSA-N 1 0 225.336 0.149 10 0 BCAERO C[C@@H]1[C@H]([NH3+])CCN1S(=O)(=O)c1cccs1 ZINC000261532159 135162628 /nfs/dbraw/zinc/16/26/28/135162628.db2.gz JLKPWNVPFRLLBP-HTQZYQBOSA-N 1 0 246.357 0.858 10 0 BCAERO Cc1nn(C)c(C)c1CN1C[C@H](C)[C@H]([NH3+])C1 ZINC000261532387 135162751 /nfs/dbraw/zinc/16/27/51/135162751.db2.gz ARLCNKLEZLEILW-QPUJVOFHSA-N 1 0 222.336 0.816 10 0 BCAERO COc1ccnc(N2CC[C@H]([NH3+])[C@H]2C)n1 ZINC000261532633 135163166 /nfs/dbraw/zinc/16/31/66/135163166.db2.gz KAUYJZABANFCLW-SFYZADRCSA-N 1 0 208.265 0.411 10 0 BCAERO CO[C@@H](C)CNC(=O)CC[C@H]1CCC[NH2+]1 ZINC000261532644 135163717 /nfs/dbraw/zinc/16/37/17/135163717.db2.gz KBXZBPBWWWAIKG-VHSXEESVSA-N 1 0 214.309 0.670 10 0 BCAERO COC[C@H](C)C(=O)N1C[C@H](C)[NH2+]C[C@H]1C ZINC000261533179 135164077 /nfs/dbraw/zinc/16/40/77/135164077.db2.gz AVYGVODRBLBDCQ-LPEHRKFASA-N 1 0 214.309 0.478 10 0 BCAERO C[C@H]1CN(Cc2noc(CN)n2)C[C@H](C)O1 ZINC000261532987 135164198 /nfs/dbraw/zinc/16/41/98/135164198.db2.gz FIXLHLZHJOOTQH-YUMQZZPRSA-N 1 0 226.280 0.138 10 0 BCAERO C[C@@H]1CN(Cc2noc(CN)n2)C[C@@H](C)O1 ZINC000261532985 135164218 /nfs/dbraw/zinc/16/42/18/135164218.db2.gz FIXLHLZHJOOTQH-HTQZYQBOSA-N 1 0 226.280 0.138 10 0 BCAERO O=S(=O)(NC[C@@H]1CC[NH2+]C1)c1ccco1 ZINC000261532877 135164285 /nfs/dbraw/zinc/16/42/85/135164285.db2.gz AOJFIOAMJUOITR-MRVPVSSYSA-N 1 0 230.289 0.167 10 0 BCAERO COc1cc(N2CC[C@H]([NH3+])[C@H]2C)ncn1 ZINC000261534129 135165896 /nfs/dbraw/zinc/16/58/96/135165896.db2.gz LTIWSFCUXNTKQC-SFYZADRCSA-N 1 0 208.265 0.411 10 0 BCAERO CCOc1cc(N2C[C@@H](C)[C@H]([NH3+])C2)ncn1 ZINC000261534156 135167055 /nfs/dbraw/zinc/16/70/55/135167055.db2.gz NRQKHHGPSMOXME-RKDXNWHRSA-N 1 0 222.292 0.659 10 0 BCAERO COC[C@@H]([NH3+])C(=O)NC(C)(C)c1nccs1 ZINC000261535239 135168914 /nfs/dbraw/zinc/16/89/14/135168914.db2.gz XDEAMWGDHUKXRL-SSDOTTSWSA-N 1 0 243.332 0.468 10 0 BCAERO CCCC[C@@H](C[NH3+])Nc1nccn(C)c1=O ZINC000087780053 135168964 /nfs/dbraw/zinc/16/89/64/135168964.db2.gz RPMFUOUSWVVFOR-VIFPVBQESA-N 1 0 224.308 0.710 10 0 BCAERO C[C@H]1CCN(Cc2cnn(C)c2)[C@H](C[NH3+])C1 ZINC000261535487 135169952 /nfs/dbraw/zinc/16/99/52/135169952.db2.gz ZOYDRKAZDXQDCG-JQWIXIFHSA-N 1 0 222.336 0.979 10 0 BCAERO C[NH2+][C@@H](C)CNC(=O)c1cc(C)n(C)n1 ZINC000261535647 135170751 /nfs/dbraw/zinc/17/07/51/135170751.db2.gz OXDIWEKODCPTDD-ZETCQYMHSA-N 1 0 210.281 0.066 10 0 BCAERO C[C@@H](O)C1CCN(CC(C)(C)[NH3+])CC1 ZINC000261536441 135172379 /nfs/dbraw/zinc/17/23/79/135172379.db2.gz RSFFCOBXTMRHCH-SECBINFHSA-N 1 0 200.326 0.817 10 0 BCAERO Cc1nc([C@H](C)NC(=O)[C@@H](C)[NH3+])cs1 ZINC000261537030 135172813 /nfs/dbraw/zinc/17/28/13/135172813.db2.gz UPNMJAYISJXZQZ-RITPCOANSA-N 1 0 213.306 0.976 10 0 BCAERO CO[C@@H](C[NH3+])C(=O)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000261539448 135177747 /nfs/dbraw/zinc/17/77/47/135177747.db2.gz CLPSXHZKIQVZQS-AXFHLTTASA-N 1 0 226.320 0.609 10 0 BCAERO O=C(N[C@H]1CCC[NH2+]C1)[C@H]1C[C@H]1C1CC1 ZINC000261540017 135178448 /nfs/dbraw/zinc/17/84/48/135178448.db2.gz DOCMQHJPJKHPGO-DCAQKATOSA-N 1 0 208.305 0.901 10 0 BCAERO C[C@@H]1CCC[C@H](CNC(=O)[C@H](N)CC(N)=O)C1 ZINC000261539746 135178754 /nfs/dbraw/zinc/17/87/54/135178754.db2.gz BJLHFVHBFWRVHF-KXUCPTDWSA-N 1 0 241.335 0.132 10 0 BCAERO C[C@H]1CN(CC(=O)N2CCCCCC2)C[C@H]1[NH3+] ZINC000261541634 135181560 /nfs/dbraw/zinc/18/15/60/135181560.db2.gz LDTDXFPYFLWWDX-NWDGAFQWSA-N 1 0 239.363 0.668 10 0 BCAERO CC[C@H](OC)C(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261544265 135185413 /nfs/dbraw/zinc/18/54/13/135185413.db2.gz IUHQDZZFPWCOAF-BBBLOLIVSA-N 1 0 214.309 0.655 10 0 BCAERO C[NH+](C)[C@H]1CCCN(Cc2noc(CN)n2)C1 ZINC000261544480 135185435 /nfs/dbraw/zinc/18/54/35/135185435.db2.gz YQSLIPGXGYQMGC-VIFPVBQESA-N 1 0 239.323 0.054 10 0 BCAERO C[C@H]1CN(C(=O)[C@@H]2C[C@H]2C2CC2)CC[NH2+]1 ZINC000261548309 135186627 /nfs/dbraw/zinc/18/66/27/135186627.db2.gz NJBBLZDSMKVZPM-INTQDDNPSA-N 1 0 208.305 0.853 10 0 BCAERO COC[C@]1(CNc2ccnc(C)n2)CCC[NH2+]1 ZINC000261545154 135186733 /nfs/dbraw/zinc/18/67/33/135186733.db2.gz FRUHFNAGKYVAQH-GFCCVEGCSA-N 1 0 236.319 0.966 10 0 BCAERO Cn1cc(C(=O)N2CC[C@@H]([NH3+])C(C)(C)C2)cn1 ZINC000261548996 135187304 /nfs/dbraw/zinc/18/73/04/135187304.db2.gz KCMRLFGBRYRHIE-SNVBAGLBSA-N 1 0 236.319 0.620 10 0 BCAERO C[C@@H]1CN(C(=O)[C@@H]2Cc3ccccc3O2)C[C@H]1[NH3+] ZINC000261548764 135187675 /nfs/dbraw/zinc/18/76/75/135187675.db2.gz DLUXBYZKFDCICJ-XWIASGKRSA-N 1 0 246.310 0.796 10 0 BCAERO Cc1[nH]nc(C(=O)N(C)C2C[NH2+]C2)c1C ZINC000261552386 135191402 /nfs/dbraw/zinc/19/14/02/135191402.db2.gz RGZZSESHCJLRFW-UHFFFAOYSA-N 1 0 208.265 0.070 10 0 BCAERO COC[C@H](C)C(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000261552835 135191790 /nfs/dbraw/zinc/19/17/90/135191790.db2.gz RWZAYMJVHWTZQC-UTLUCORTSA-N 1 0 214.309 0.383 10 0 BCAERO CC(C)CNC(=O)CN1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261552976 135192450 /nfs/dbraw/zinc/19/24/50/135192450.db2.gz NNNWXYQQZAKUCW-NSHDSACASA-N 1 0 241.379 0.818 10 0 BCAERO COC(=O)C[C@H](C)NC(=O)[C@H]1C[C@@H](C)CC[NH2+]1 ZINC000261553261 135192604 /nfs/dbraw/zinc/19/26/04/135192604.db2.gz NRINLZJYPJSUMT-LPEHRKFASA-N 1 0 242.319 0.442 10 0 BCAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)[C@H]1Cc2ccccc2O1 ZINC000261553653 135192701 /nfs/dbraw/zinc/19/27/01/135192701.db2.gz AKIWYCVEMUSBDE-IRUJWGPZSA-N 1 0 246.310 0.938 10 0 BCAERO C[C@@H]1COC[C@H](C)N1C(=O)[C@H]1CC[NH2+]C1 ZINC000261553499 135193159 /nfs/dbraw/zinc/19/31/59/135193159.db2.gz SOVMALNAOJXQIX-AEJSXWLSSA-N 1 0 212.293 0.232 10 0 BCAERO CC[C@H](NC(=O)CC[C@H]1CCC[NH2+]1)C(=O)OC ZINC000261554145 135193977 /nfs/dbraw/zinc/19/39/77/135193977.db2.gz ONZIMXSDBBFZGY-ZJUUUORDSA-N 1 0 242.319 0.586 10 0 BCAERO O=C(C[C@@H]1CCC[NH2+]1)NC[C@@H]1CCC[C@@H]1O ZINC000084238283 135194291 /nfs/dbraw/zinc/19/42/91/135194291.db2.gz VJJGSPXWQNGWCP-DCAQKATOSA-N 1 0 226.320 0.406 10 0 BCAERO CCN(C(=O)COC1C[NH2+]C1)C1CCC1 ZINC000261554737 135194349 /nfs/dbraw/zinc/19/43/49/135194349.db2.gz UKJJUVVCPCMUMC-UHFFFAOYSA-N 1 0 212.293 0.376 10 0 BCAERO O=C(NC[C@@H]1CCC[C@@H]1O)[C@H]1CCCC[NH2+]1 ZINC000084238726 135194469 /nfs/dbraw/zinc/19/44/69/135194469.db2.gz MYHIXKBVYYQCNO-AXFHLTTASA-N 1 0 226.320 0.406 10 0 BCAERO CCc1nnc(N2CC[C@@H]([NH3+])[C@H]2C)nc1CC ZINC000261554923 135194734 /nfs/dbraw/zinc/19/47/34/135194734.db2.gz PKODXLHWQQZDFL-RKDXNWHRSA-N 1 0 235.335 0.922 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N1C[C@@H](CC)[C@H](O)C1 ZINC000261555185 135195123 /nfs/dbraw/zinc/19/51/23/135195123.db2.gz UVWARMZOYDKQER-KXUCPTDWSA-N 1 0 214.309 0.343 10 0 BCAERO OC[C@@H]1C[C@H](F)CN1C[C@@H]1CCC[NH2+]C1 ZINC000261556564 135196818 /nfs/dbraw/zinc/19/68/18/135196818.db2.gz WCGJPBDKLJHWPE-VWYCJHECSA-N 1 0 216.300 0.391 10 0 BCAERO OC[C@@H]1C[C@@H](F)CN1C[C@H]1CCC[NH2+]C1 ZINC000261556561 135197266 /nfs/dbraw/zinc/19/72/66/135197266.db2.gz WCGJPBDKLJHWPE-AXFHLTTASA-N 1 0 216.300 0.391 10 0 BCAERO CC(C)(C)[C@@H](O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000261557031 135197313 /nfs/dbraw/zinc/19/73/13/135197313.db2.gz WSAFNIDSDLJQSE-BDAKNGLRSA-N 1 0 214.309 0.262 10 0 BCAERO Cn1cnc(C(=O)N2CC[C@H]([NH3+])C(C)(C)C2)c1 ZINC000261557416 135198199 /nfs/dbraw/zinc/19/81/99/135198199.db2.gz RPEKCRIIEONSNH-JTQLQIEISA-N 1 0 236.319 0.620 10 0 BCAERO COC(=O)[C@@H]1CCCN(CC(C)(C)[NH3+])C1 ZINC000261560562 135200842 /nfs/dbraw/zinc/20/08/42/135200842.db2.gz AAZWRTBWENFGER-SECBINFHSA-N 1 0 214.309 0.609 10 0 BCAERO Cn1ccnc1CN1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261561509 135202469 /nfs/dbraw/zinc/20/24/69/135202469.db2.gz AQOBSESGAZNFCU-JTQLQIEISA-N 1 0 222.336 0.979 10 0 BCAERO Cc1ccnc(N2CC[C@@H]3C[NH2+]C[C@H]3C2)n1 ZINC000261562136 135203619 /nfs/dbraw/zinc/20/36/19/135203619.db2.gz BCGHKWCHCZKECP-MNOVXSKESA-N 1 0 218.304 0.831 10 0 BCAERO CCCNC(=O)[C@@H](C)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261562324 135203918 /nfs/dbraw/zinc/20/39/18/135203918.db2.gz WFCZDPQBAMDUQK-MNOVXSKESA-N 1 0 241.379 0.960 10 0 BCAERO C[C@@H](C(=O)NCCC1CCOCC1)C1C[NH2+]C1 ZINC000261562541 135204767 /nfs/dbraw/zinc/20/47/67/135204767.db2.gz WJIFYCCFIPNOPB-SNVBAGLBSA-N 1 0 240.347 0.775 10 0 BCAERO Cc1nn(C)cc1C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261563445 135205534 /nfs/dbraw/zinc/20/55/34/135205534.db2.gz GWJVESPKJBGHSC-WDEREUQCSA-N 1 0 248.330 0.410 10 0 BCAERO C[C@H]1[C@H]([NH3+])CCN1c1ccnc(N(C)C)n1 ZINC000261568860 135211630 /nfs/dbraw/zinc/21/16/30/135211630.db2.gz FWNPFTHIIXBXNG-DTWKUNHWSA-N 1 0 221.308 0.469 10 0 BCAERO C[C@@H](NC(=O)C[NH2+]C[C@H]1CCCO1)C1CC1 ZINC000261570420 135212315 /nfs/dbraw/zinc/21/23/15/135212315.db2.gz GXPYNODPAWBBAE-MWLCHTKSSA-N 1 0 226.320 0.670 10 0 BCAERO CC1(C)CN(S(=O)(=O)CC2CC2)CC[C@@H]1[NH3+] ZINC000261571290 135212903 /nfs/dbraw/zinc/21/29/03/135212903.db2.gz HKENWBHIPFBOOU-JTQLQIEISA-N 1 0 246.376 0.785 10 0 BCAERO Cc1c(C(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)cnn1C ZINC000261572162 135213644 /nfs/dbraw/zinc/21/36/44/135213644.db2.gz LMRXDWQYZYPOEI-QWRGUYRKSA-N 1 0 248.330 0.410 10 0 BCAERO C[C@@H](C(=O)N(C)CCc1ccncc1)C1C[NH2+]C1 ZINC000164107784 135214236 /nfs/dbraw/zinc/21/42/36/135214236.db2.gz QECNTWIJRBUPLU-LLVKDONJSA-N 1 0 247.342 0.938 10 0 BCAERO [NH3+]C[C@@H]1CCCN1C(=O)C[C@@H]1CCOC1 ZINC000261574115 135216041 /nfs/dbraw/zinc/21/60/41/135216041.db2.gz JBZCEMSWKZEBTA-UWVGGRQHSA-N 1 0 212.293 0.363 10 0 BCAERO Cc1cnc(N2CC[C@@H]3[NH2+]CC[C@@H]3C2)nc1 ZINC000261574589 135216161 /nfs/dbraw/zinc/21/61/61/135216161.db2.gz JIODNNMDJDVJMO-MNOVXSKESA-N 1 0 218.304 0.973 10 0 BCAERO CN(C[C@H]1CCCO1)C(=O)C[C@@H]1CC[NH2+]C1 ZINC000084382778 135216220 /nfs/dbraw/zinc/21/62/20/135216220.db2.gz NAKQHGHGMRZDQC-WDEREUQCSA-N 1 0 226.320 0.623 10 0 BCAERO COC[C@H](C)N(C)C(=O)C[C@@H]1CC[NH2+]C1 ZINC000084382364 135216409 /nfs/dbraw/zinc/21/64/09/135216409.db2.gz QUUNXSZMEIKFSK-UWVGGRQHSA-N 1 0 214.309 0.479 10 0 BCAERO O=C(C[C@@H]1CC[NH2+]C1)NC[C@@H]1CCC[C@H]1O ZINC000084384392 135217091 /nfs/dbraw/zinc/21/70/91/135217091.db2.gz QOLAQUTWPCLNNS-GARJFASQSA-N 1 0 226.320 0.263 10 0 BCAERO CCCNC(=O)CN1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261575882 135217596 /nfs/dbraw/zinc/21/75/96/135217596.db2.gz JZFRBCFCMLCGFK-HBNTYKKESA-N 1 0 225.336 0.182 10 0 BCAERO C[NH2+]C[C@@H](C)C(=O)NCCC1CCOCC1 ZINC000261576389 135217740 /nfs/dbraw/zinc/21/77/40/135217740.db2.gz KKBQJYMBVCRCAA-SNVBAGLBSA-N 1 0 228.336 0.775 10 0 BCAERO Cc1ccnc(N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)n1 ZINC000261576016 135217907 /nfs/dbraw/zinc/21/79/07/135217907.db2.gz KAXGODSAXMEJEU-DCAQKATOSA-N 1 0 218.304 0.959 10 0 BCAERO Cc1ocnc1C(=O)N1CCC[C@H]1C[NH3+] ZINC000261577041 135218731 /nfs/dbraw/zinc/21/87/31/135218731.db2.gz KUXJUARDGUXOCK-QMMMGPOBSA-N 1 0 209.249 0.546 10 0 BCAERO O=C([C@H]1CCCO1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261580640 135221333 /nfs/dbraw/zinc/22/13/33/135221333.db2.gz NAFSJRIJAQNAIW-GMTAPVOTSA-N 1 0 224.304 0.376 10 0 BCAERO Cc1cnc(C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cn1 ZINC000261581290 135222130 /nfs/dbraw/zinc/22/21/30/135222130.db2.gz QNIOFOCGRINUML-HBNTYKKESA-N 1 0 246.314 0.594 10 0 BCAERO CN(C)c1nccc(N2CC[C@]3(CC[NH2+]C3)C2)n1 ZINC000261581268 135222477 /nfs/dbraw/zinc/22/24/77/135222477.db2.gz QMMWBPZYFFRSBC-ZDUSSCGKSA-N 1 0 247.346 0.732 10 0 BCAERO Cc1n[nH]c(C)c1CN1C[C@@H](C)[C@H]([NH3+])C1 ZINC000261583546 135224094 /nfs/dbraw/zinc/22/40/94/135224094.db2.gz PCWQDMPOHSKHAD-RDDDGLTNSA-N 1 0 208.309 0.806 10 0 BCAERO [NH3+]C[C@@H]1CCN(C(=O)[C@H]2C[C@H]2C2CC2)C1 ZINC000261583032 135224129 /nfs/dbraw/zinc/22/41/29/135224129.db2.gz OUHYXQGTDFYHFJ-LSJOCFKGSA-N 1 0 208.305 0.840 10 0 BCAERO C[C@H]1CCN(Cc2cnn(C)n2)[C@H](C[NH3+])C1 ZINC000261583857 135224747 /nfs/dbraw/zinc/22/47/47/135224747.db2.gz PHLLTNQMWSOTKS-ONGXEEELSA-N 1 0 223.324 0.374 10 0 BCAERO C[C@@H]1OCC[C@@H]1NC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000261583886 135225363 /nfs/dbraw/zinc/22/53/63/135225363.db2.gz PIYJSMYOEDZVTN-DCAQKATOSA-N 1 0 226.320 0.812 10 0 BCAERO Cn1nccc1CN1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261584554 135225747 /nfs/dbraw/zinc/22/57/47/135225747.db2.gz PYGJFRMCQHWHST-NSHDSACASA-N 1 0 222.336 0.979 10 0 BCAERO CCOCCC(=O)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261585526 135226745 /nfs/dbraw/zinc/22/67/45/135226745.db2.gz QNJHTPQYXLQPNT-SNVBAGLBSA-N 1 0 228.336 0.999 10 0 BCAERO Cn1ncnc1CN1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261587337 135228185 /nfs/dbraw/zinc/22/81/85/135228185.db2.gz RTAIOFGIFYELMF-SECBINFHSA-N 1 0 223.324 0.374 10 0 BCAERO Cn1nncc1CN1CCCC[C@@H]1C[NH3+] ZINC000261587313 135228592 /nfs/dbraw/zinc/22/85/92/135228592.db2.gz RSBNLQNNXKXMIG-SECBINFHSA-N 1 0 209.297 0.128 10 0 BCAERO COC[C@H]([NH3+])C(=O)N(CC(F)F)C1CC1 ZINC000261589679 135229924 /nfs/dbraw/zinc/22/99/24/135229924.db2.gz UCKQRTOAXUWNSN-ZETCQYMHSA-N 1 0 222.235 0.216 10 0 BCAERO Cn1nccc1NC(=O)CC[C@H]1CCC[NH2+]1 ZINC000261590784 135231050 /nfs/dbraw/zinc/23/10/50/135231050.db2.gz UTIDJCXPPIOEQG-SECBINFHSA-N 1 0 222.292 0.891 10 0 BCAERO C[C@H](C[C@@H]1CCCO1)NC(=O)[C@@H](C)C[NH3+] ZINC000261591422 135232132 /nfs/dbraw/zinc/23/21/32/135232132.db2.gz VHMATWXRQPWKLS-AEJSXWLSSA-N 1 0 214.309 0.655 10 0 BCAERO Cc1csc([C@H]2CN(CC[NH3+])CCO2)n1 ZINC000261590957 135232196 /nfs/dbraw/zinc/23/21/96/135232196.db2.gz UXPOCFRNTYDQNQ-SECBINFHSA-N 1 0 227.333 0.784 10 0 BCAERO CC1(C)CN(CCn2cncn2)CC[C@H]1[NH3+] ZINC000261593961 135234193 /nfs/dbraw/zinc/23/41/93/135234193.db2.gz XEEUYLUWKPDDEG-SNVBAGLBSA-N 1 0 223.324 0.337 10 0 BCAERO Cc1nccnc1N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261594787 135235399 /nfs/dbraw/zinc/23/53/99/135235399.db2.gz XRQDCSMHHWFSPL-HBNTYKKESA-N 1 0 218.304 0.959 10 0 BCAERO C[NH2+][C@@H](C)CNC(=O)CC[C@@H]1CCOC1 ZINC000261546355 135238414 /nfs/dbraw/zinc/23/84/14/135238414.db2.gz KWRKLKMEHUEYGN-VHSXEESVSA-N 1 0 214.309 0.527 10 0 BCAERO COC[C@H](C)C(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000261546349 135238629 /nfs/dbraw/zinc/23/86/29/135238629.db2.gz KWQVYJAOLUPKPC-GUBZILKMSA-N 1 0 214.309 0.465 10 0 BCAERO COC[C@H](C)C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000261546350 135238903 /nfs/dbraw/zinc/23/89/03/135238903.db2.gz KWQVYJAOLUPKPC-KXUCPTDWSA-N 1 0 214.309 0.465 10 0 BCAERO COC[C@H](C)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000261547936 135240991 /nfs/dbraw/zinc/24/09/91/135240991.db2.gz MVAFPXTZMNYPEB-VIFPVBQESA-N 1 0 216.325 0.712 10 0 BCAERO O=C([C@H]1CCC[NH2+]1)N1CCC[C@@H](n2cncn2)C1 ZINC000261626715 135242121 /nfs/dbraw/zinc/24/21/21/135242121.db2.gz DWDLTOSDCCYDFK-GHMZBOCLSA-N 1 0 249.318 0.194 10 0 BCAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)NC[C@@H]1CCC[C@H]1O ZINC000261647697 135242196 /nfs/dbraw/zinc/24/21/96/135242196.db2.gz DGWYXWOETFUXJC-WRWGMCAJSA-N 1 0 240.347 0.639 10 0 BCAERO C[C@H]1CCN(C(=O)COCC2CC2)[C@H](C[NH3+])C1 ZINC000261651175 135242210 /nfs/dbraw/zinc/24/22/10/135242210.db2.gz BLLODUYYZVZMIF-JQWIXIFHSA-N 1 0 240.347 0.999 10 0 BCAERO C[NH2+][C@@H](C)CNC(=O)CCC1CCOCC1 ZINC000261648482 135242918 /nfs/dbraw/zinc/24/29/18/135242918.db2.gz DVAUPXBKDPATPG-JTQLQIEISA-N 1 0 228.336 0.917 10 0 BCAERO O=C([C@@H]1CCC[NH2+]1)N1CCC[C@@H](c2nc[nH]n2)C1 ZINC000261672056 135245065 /nfs/dbraw/zinc/24/50/65/135245065.db2.gz JGOYSKWQNKETIX-ZJUUUORDSA-N 1 0 249.318 0.263 10 0 BCAERO C[NH2+][C@@H](C)CNC(=O)c1c[nH]c2ncccc12 ZINC000261682866 135245832 /nfs/dbraw/zinc/24/58/32/135245832.db2.gz HSKSWCVMOCSVFA-QMMMGPOBSA-N 1 0 232.287 0.901 10 0 BCAERO C[NH2+][C@@H](C)CNC(=O)[C@H](C)n1nc(C)cc1C ZINC000261683126 135246028 /nfs/dbraw/zinc/24/60/28/135246028.db2.gz HVDGDLDAHUDVOV-ONGXEEELSA-N 1 0 238.335 0.785 10 0 BCAERO CCN(C[C@H]1CCCO1)C(=O)C1C[NH2+]C1 ZINC000084411140 135246623 /nfs/dbraw/zinc/24/66/23/135246623.db2.gz VGPWQMDSQGHEJF-SNVBAGLBSA-N 1 0 212.293 0.233 10 0 BCAERO C[C@H]([NH3+])CC(=O)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000261701973 135246704 /nfs/dbraw/zinc/24/67/04/135246704.db2.gz CSLGHFLETVGIJZ-VHSXEESVSA-N 1 0 236.319 0.473 10 0 BCAERO CCOCCO[C@@H](C)C(=O)NC[C@H](C)[NH2+]C ZINC000261715400 135247284 /nfs/dbraw/zinc/24/72/84/135247284.db2.gz KIVPAJWMKURBEO-UWVGGRQHSA-N 1 0 232.324 0.152 10 0 BCAERO O=C(NCc1ccc(F)cc1)C1C[NH2+]C1 ZINC000084408298 135247771 /nfs/dbraw/zinc/24/77/71/135247771.db2.gz SLDXDVHVDMKLJI-UHFFFAOYSA-N 1 0 208.236 0.661 10 0 BCAERO CN(Cc1ccncc1)C(=O)C1C[NH2+]C1 ZINC000084409013 135247985 /nfs/dbraw/zinc/24/79/85/135247985.db2.gz RFSCYXRGTSICDB-UHFFFAOYSA-N 1 0 205.261 0.259 10 0 BCAERO O=C(NCCc1cccc(F)c1)C1C[NH2+]C1 ZINC000084409021 135248025 /nfs/dbraw/zinc/24/80/25/135248025.db2.gz DUTCJJHRIONSRH-UHFFFAOYSA-N 1 0 222.263 0.704 10 0 BCAERO C[NH2+][C@@H](C)CNC(=O)c1ccc2c(c1)CCN2 ZINC000261740002 135248881 /nfs/dbraw/zinc/24/88/81/135248881.db2.gz MKCSNDCZBUZPBL-VIFPVBQESA-N 1 0 233.315 0.992 10 0 BCAERO O=C(NCc1ccc(F)cc1F)C1C[NH2+]C1 ZINC000084411660 135249211 /nfs/dbraw/zinc/24/92/11/135249211.db2.gz NGHHHLFEALLTKT-UHFFFAOYSA-N 1 0 226.226 0.800 10 0 BCAERO C[C@@H]1CN(C)CCN1C(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000261757052 135250810 /nfs/dbraw/zinc/25/08/10/135250810.db2.gz NCMMTLMQPLPKOD-GRYCIOLGSA-N 1 0 239.363 0.666 10 0 BCAERO CSC[C@@H](C)NC(=O)[C@@H]([NH3+])C1CCOCC1 ZINC000261758004 135250910 /nfs/dbraw/zinc/25/09/10/135250910.db2.gz LOGKOKIDYSNBMH-SCZZXKLOSA-N 1 0 246.376 0.608 10 0 BCAERO COC[C@@H](NC(=O)[C@@H]1CCC[C@@H]1C[NH3+])C1CC1 ZINC000261765367 135250918 /nfs/dbraw/zinc/25/09/18/135250918.db2.gz JYXSFGUDLOPKIW-IJLUTSLNSA-N 1 0 240.347 0.903 10 0 BCAERO CCn1c(C)nnc1CN1CCC[C@@H]([NH2+]C)C1 ZINC000261760173 135250985 /nfs/dbraw/zinc/25/09/85/135250985.db2.gz MUCSKJDIVTXHSE-LLVKDONJSA-N 1 0 237.351 0.790 10 0 BCAERO CCN(CC1CC1)C(=O)[C@H]([NH3+])C1CCOCC1 ZINC000261772088 135251592 /nfs/dbraw/zinc/25/15/92/135251592.db2.gz FSGNRGCVRXJWDT-GFCCVEGCSA-N 1 0 240.347 0.999 10 0 BCAERO C[C@@H](NC(=O)[C@@H]1CCC[C@@H]1C[NH3+])c1ncon1 ZINC000261805786 135254139 /nfs/dbraw/zinc/25/41/39/135254139.db2.gz MXEBVDCQBAOMOH-IWSPIJDZSA-N 1 0 238.291 0.622 10 0 BCAERO C[NH2+][C@@H](C)CNC(=O)c1cc(C2CC2)n(C)n1 ZINC000261811472 135254238 /nfs/dbraw/zinc/25/42/38/135254238.db2.gz STJYKDPQOUCNTC-QMMMGPOBSA-N 1 0 236.319 0.635 10 0 BCAERO C[C@@H]1C[C@@H]1CNC(=O)[C@H]([NH3+])C1CCOCC1 ZINC000261818360 135255524 /nfs/dbraw/zinc/25/55/24/135255524.db2.gz PGQJHQINKVBEMT-FBIMIBRVSA-N 1 0 226.320 0.513 10 0 BCAERO Cn1nncc1CN1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261837709 135256509 /nfs/dbraw/zinc/25/65/09/135256509.db2.gz ZLYRVHDIBAYWDL-SNVBAGLBSA-N 1 0 223.324 0.374 10 0 BCAERO CC[C@H](C(=O)NC[C@@H](C)[NH2+]C)N1CCCC1=O ZINC000261849202 135257133 /nfs/dbraw/zinc/25/71/33/135257133.db2.gz XDJAOSDACPFEFG-NXEZZACHSA-N 1 0 241.335 0.112 10 0 BCAERO [NH3+][C@@H]1CCC[C@H]1CC(=O)NC[C@H]1CCC[C@H]1O ZINC000261855016 135257554 /nfs/dbraw/zinc/25/75/54/135257554.db2.gz WECHOEYMXPLRAA-IRCOFANPSA-N 1 0 240.347 0.781 10 0 BCAERO CC1(C)CN(C(=O)COCC2CC2)CC[C@@H]1[NH3+] ZINC000261896002 135260603 /nfs/dbraw/zinc/26/06/03/135260603.db2.gz RBKXNLQZHASDBP-NSHDSACASA-N 1 0 240.347 0.999 10 0 BCAERO CN(CC1CC1)C(=O)[C@H]([NH3+])C1CCOCC1 ZINC000261897932 135260969 /nfs/dbraw/zinc/26/09/69/135260969.db2.gz WFGUZYWXHPMKLD-LLVKDONJSA-N 1 0 226.320 0.609 10 0 BCAERO CCCC1(C(=O)NC[C@H]2C[NH2+]C[C@@H]2O)CC1 ZINC000261900644 135261626 /nfs/dbraw/zinc/26/16/26/135261626.db2.gz AFANPYONVYAAQF-ZJUUUORDSA-N 1 0 226.320 0.263 10 0 BCAERO CC(C)CCNC(=O)[C@@H]([NH3+])C1CCOCC1 ZINC000261903186 135262028 /nfs/dbraw/zinc/26/20/28/135262028.db2.gz WUJDSWGESAHBFQ-NSHDSACASA-N 1 0 228.336 0.903 10 0 BCAERO C[C@@H]([NH3+])CC(=O)NC[C@@H](O)c1ccc(F)cc1 ZINC000261912797 135262506 /nfs/dbraw/zinc/26/25/06/135262506.db2.gz WRCJQGRGONMLCP-LDYMZIIASA-N 1 0 240.278 0.713 10 0 BCAERO CCn1c(C)nnc1CN1C[C@@H](C[NH3+])C[C@@H]1C ZINC000261973056 135267782 /nfs/dbraw/zinc/26/77/82/135267782.db2.gz DVPXIPGVGMBWSJ-GXSJLCMTSA-N 1 0 237.351 0.776 10 0 BCAERO Cn1ncc2c1nc(NCC(C)(C)[NH3+])[nH]c2=O ZINC000261969679 135268189 /nfs/dbraw/zinc/26/81/89/135268189.db2.gz CSRXUHIRQVNYQD-UHFFFAOYSA-N 1 0 236.279 0.218 10 0 BCAERO CS(=O)(=O)[C@H]1CCN(C[C@H]2CCC[NH2+]C2)C1 ZINC000261976367 135268712 /nfs/dbraw/zinc/26/87/12/135268712.db2.gz QUEZMMUCUORPDB-QWRGUYRKSA-N 1 0 246.376 0.105 10 0 BCAERO O=C1CN(C[C@H]2CCC[NH2+]C2)CN1CC1CC1 ZINC000261975279 135269209 /nfs/dbraw/zinc/26/92/09/135269209.db2.gz QTMKHTPAFKPJML-LBPRGKRZSA-N 1 0 237.347 0.498 10 0 BCAERO COCCCN(C)C(=O)[C@@H]([NH3+])C1CCOCC1 ZINC000262003202 135271134 /nfs/dbraw/zinc/27/11/34/135271134.db2.gz NOFCCHUHLGGQOS-NSHDSACASA-N 1 0 244.335 0.235 10 0 BCAERO CCn1c(C)nnc1CN1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000262012709 135272133 /nfs/dbraw/zinc/27/21/33/135272133.db2.gz UTLXRBPYEMHEOY-NXEZZACHSA-N 1 0 237.351 0.789 10 0 BCAERO C([C@H]1CCC[NH2+]C1)N1CCN2CCOC[C@H]2C1 ZINC000262043095 135275798 /nfs/dbraw/zinc/27/57/98/135275798.db2.gz YPPYIQCWGOVHOB-QWHCGFSZSA-N 1 0 239.363 0.002 10 0 BCAERO CN(Cc1ccccc1)C(=O)CN[C@H]1CC[NH2+]C1 ZINC000262070377 135276728 /nfs/dbraw/zinc/27/67/28/135276728.db2.gz JXDKAPIVTGPPND-ZDUSSCGKSA-N 1 0 247.342 0.597 10 0 BCAERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)[C@H]1Cc2ccccc21 ZINC000262084189 135277467 /nfs/dbraw/zinc/27/74/67/135277467.db2.gz COGDONYOZMVAMW-WCFLWFBJSA-N 1 0 246.310 0.023 10 0 BCAERO O=C(CCc1ccccc1)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000262087712 135277572 /nfs/dbraw/zinc/27/75/72/135277572.db2.gz CULDXMYTLUZGLE-STQMWFEESA-N 1 0 248.326 0.316 10 0 BCAERO C[C@H](N[C@@H]1CC[NH2+]C1)C(=O)NCc1ccccc1 ZINC000262138980 135281204 /nfs/dbraw/zinc/28/12/04/135281204.db2.gz ONSLRRBVVXOLHE-WCQYABFASA-N 1 0 247.342 0.643 10 0 BCAERO CCc1ncc(CNC[C@H]2C[NH2+]C[C@H]2O)s1 ZINC000262150118 135281929 /nfs/dbraw/zinc/28/19/29/135281929.db2.gz RCEGXEFEDJKGNN-WCBMZHEXSA-N 1 0 241.360 0.375 10 0 BCAERO CO[C@@H]1[C@H](C)[C@@H](NC(=O)[C@@H]2CCC[NH2+]2)C1(C)C ZINC000262159501 135283288 /nfs/dbraw/zinc/28/32/88/135283288.db2.gz UQXIGIYCSNCGHS-LMLFDSFASA-N 1 0 240.347 0.914 10 0 BCAERO C[C@@H]([NH3+])C(=O)NCC1([C@H](C)CCO)CCC1 ZINC000262174237 135283660 /nfs/dbraw/zinc/28/36/60/135283660.db2.gz XYVUJQPMTGGFLT-NXEZZACHSA-N 1 0 228.336 0.639 10 0 BCAERO O=C(CN[C@H]1CC[NH2+]C1)Nc1ccc(F)cc1 ZINC000262182125 135284329 /nfs/dbraw/zinc/28/43/29/135284329.db2.gz RBZPAHFOWYUFHO-NSHDSACASA-N 1 0 237.278 0.716 10 0 BCAERO C[C@@H]1C[C@@H]1CNC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000262191860 135284536 /nfs/dbraw/zinc/28/45/36/135284536.db2.gz YUBSBUSQOPXOPK-LURQLKTLSA-N 1 0 200.257 0.459 10 0 BCAERO COC[C@H]([NH3+])C(=O)N1C[C@H](C)CCC[C@H]1C ZINC000262247511 135287587 /nfs/dbraw/zinc/28/75/87/135287587.db2.gz IITLOOYJESNDEP-MXWKQRLJSA-N 1 0 228.336 0.997 10 0 BCAERO Cc1ccc2c(c1)OCCN2C(=O)C1C[NH2+]C1 ZINC000262258846 135288035 /nfs/dbraw/zinc/28/80/35/135288035.db2.gz QVZJFORXDJZXET-UHFFFAOYSA-N 1 0 232.283 0.940 10 0 BCAERO Cc1cc(C(=O)NC[C@@H]2C[NH2+]C[C@H]2O)c(C)o1 ZINC000262253850 135288421 /nfs/dbraw/zinc/28/84/21/135288421.db2.gz LSZBVCCSQCWQTM-GXSJLCMTSA-N 1 0 238.287 0.207 10 0 BCAERO CN(C(=O)CN[C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC000262211931 135290349 /nfs/dbraw/zinc/29/03/49/135290349.db2.gz TVYULBDJXKEJPB-LLVKDONJSA-N 1 0 239.363 0.729 10 0 BCAERO CCC[C@@H]1CCCN(C(=O)[C@@H]([NH3+])COC)C1 ZINC000262288129 135290814 /nfs/dbraw/zinc/29/08/14/135290814.db2.gz MPCHFSXBUUWQAP-MNOVXSKESA-N 1 0 228.336 0.999 10 0 BCAERO COC[C@H]([NH3+])C(=O)N[C@@H]1CCO[C@@H](C(C)C)C1 ZINC000262289154 135290886 /nfs/dbraw/zinc/29/08/86/135290886.db2.gz MSVHIABQUVZMTR-OUAUKWLOSA-N 1 0 244.335 0.280 10 0 BCAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)C1CCCCCC1 ZINC000262326316 135292863 /nfs/dbraw/zinc/29/28/63/135292863.db2.gz RUQHDPKRIMHDIJ-RYUDHWBXSA-N 1 0 240.347 0.653 10 0 BCAERO COC[C@H]([NH3+])C(=O)N[C@H]1C[C@@](C)(OC)C1(C)C ZINC000262329296 135293255 /nfs/dbraw/zinc/29/32/55/135293255.db2.gz RKEFRYOHKJKIMT-HOTUBEGUSA-N 1 0 244.335 0.280 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N(C)C1Cc2ccccc2C1 ZINC000262324970 135293269 /nfs/dbraw/zinc/29/32/69/135293269.db2.gz QXRSMCFZEMIKDF-CYBMUJFWSA-N 1 0 248.326 0.586 10 0 BCAERO C[NH2+]CCC(=O)N1CC[C@H](c2cnn(C)c2)C1 ZINC000262334017 135293856 /nfs/dbraw/zinc/29/38/56/135293856.db2.gz HCOKCSZEYGXTIQ-JTQLQIEISA-N 1 0 236.319 0.346 10 0 BCAERO OC[C@H]1C[C@H](O)C[N@@H+]1Cc1cccnc1 ZINC000342544206 135294573 /nfs/dbraw/zinc/29/45/73/135294573.db2.gz GKSFTOWBTBXJDK-MNOVXSKESA-N 1 0 208.261 0.009 10 0 BCAERO C[NH2+]CCC(=O)NC[C@@H]1CCO[C@H]1C(C)C ZINC000262354158 135294849 /nfs/dbraw/zinc/29/48/49/135294849.db2.gz JLPHWZUWLRKKTR-JQWIXIFHSA-N 1 0 228.336 0.773 10 0 BCAERO CCC[C@H]([NH3+])C(=O)NC1(C(N)=O)CCCCC1 ZINC000262411102 135295648 /nfs/dbraw/zinc/29/56/48/135295648.db2.gz DJPOGNUMCLKBPS-VIFPVBQESA-N 1 0 241.335 0.418 10 0 BCAERO Cc1cc(C)c(C(=O)NC[C@@H]2C[NH2+]C[C@H]2O)o1 ZINC000262389504 135298346 /nfs/dbraw/zinc/29/83/46/135298346.db2.gz XUBQAFSFFLJSBF-VHSXEESVSA-N 1 0 238.287 0.207 10 0 BCAERO CC1(C)C(C(=O)NC[C@H]2C[NH2+]C[C@H]2O)C1(C)C ZINC000262398995 135299535 /nfs/dbraw/zinc/29/95/35/135299535.db2.gz YLDYNEQKFLQGMX-RKDXNWHRSA-N 1 0 240.347 0.365 10 0 BCAERO CC(C)[C@@H]1OCC[C@H]1CNC(=O)CCC[NH3+] ZINC000262443720 135299629 /nfs/dbraw/zinc/29/96/29/135299629.db2.gz BSTFEWNRLIBQDG-JQWIXIFHSA-N 1 0 228.336 0.903 10 0 BCAERO CO[C@H](CNC(=O)[C@H]1CC[C@@H]([NH3+])C1)C(C)C ZINC000262456977 135299984 /nfs/dbraw/zinc/29/99/84/135299984.db2.gz UNVLYRKURQMUPT-HBNTYKKESA-N 1 0 228.336 0.901 10 0 BCAERO COC(=O)C1(NC(=O)C[NH3+])CCC(C)CC1 ZINC000262456902 135300342 /nfs/dbraw/zinc/30/03/42/135300342.db2.gz UJXZTDNCRBCIFD-UHFFFAOYSA-N 1 0 228.292 0.183 10 0 BCAERO C[C@@H]1CN(C(=O)[C@H]2CC[NH2+][C@@H](C)C2)CCO1 ZINC000262459428 135300573 /nfs/dbraw/zinc/30/05/73/135300573.db2.gz VRTPZZAKGDZENY-AXFHLTTASA-N 1 0 226.320 0.622 10 0 BCAERO C[NH2+]CCC(=O)Nc1nnc2n(C)[nH]c(C)c1-2 ZINC000262525748 135304185 /nfs/dbraw/zinc/30/41/85/135304185.db2.gz LGYAXXDLCQQHCM-UHFFFAOYSA-N 1 0 236.279 0.153 10 0 BCAERO CC(C)[C@H]1OCC[C@@H]1CNC1=[NH+]CCCN1 ZINC000262552975 135305325 /nfs/dbraw/zinc/30/53/25/135305325.db2.gz ZKEHWICUZRNGRW-GHMZBOCLSA-N 1 0 225.336 0.986 10 0 BCAERO CC(C)[C@@H]1OCC[C@@H]1CNC1=[NH+]CCCN1 ZINC000262552977 135305913 /nfs/dbraw/zinc/30/59/13/135305913.db2.gz ZKEHWICUZRNGRW-MNOVXSKESA-N 1 0 225.336 0.986 10 0 BCAERO C[C@H](C(=O)N1[C@H](C)COC[C@H]1C)C1C[NH2+]C1 ZINC000262554748 135305935 /nfs/dbraw/zinc/30/59/35/135305935.db2.gz PHYUQXHWSHRCIK-BBBLOLIVSA-N 1 0 226.320 0.478 10 0 BCAERO COC(=O)[C@@H](C1CC1)[N@H+](C)CC1CC(O)C1 ZINC000084452254 135308026 /nfs/dbraw/zinc/30/80/26/135308026.db2.gz VUWYZFOSHLOTAE-BOBPJJCASA-N 1 0 227.304 0.641 10 0 BCAERO CC[C@@H]1CN(C(=O)[C@@H]([NH3+])CCSC)C[C@H]1O ZINC000262603114 135308196 /nfs/dbraw/zinc/30/81/96/135308196.db2.gz ZFVDIAVBWTXSTL-KXUCPTDWSA-N 1 0 246.376 0.296 10 0 BCAERO CCC(CC)(NC(=O)[C@@H]1CC[C@@H]([NH3+])C1)C(N)=O ZINC000262630929 135309821 /nfs/dbraw/zinc/30/98/21/135309821.db2.gz WFXOKUXBQZOUAA-RKDXNWHRSA-N 1 0 241.335 0.274 10 0 BCAERO C[C@H]1COC[C@H](C)N1C(=O)C[NH2+]CC1CC1 ZINC000262651959 135311487 /nfs/dbraw/zinc/31/14/87/135311487.db2.gz XGSOOKYFYZGERS-UWVGGRQHSA-N 1 0 226.320 0.622 10 0 BCAERO CCN(C[C@@H]1CCCO1)C(=O)[C@H](C)C1C[NH2+]C1 ZINC000164445968 135313031 /nfs/dbraw/zinc/31/30/31/135313031.db2.gz LFAHLLHEFDKFRI-PWSUYJOCSA-N 1 0 240.347 0.869 10 0 BCAERO NCC(F)(F)CNC(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000262689178 135313979 /nfs/dbraw/zinc/31/39/79/135313979.db2.gz FLOOSYBCKKYXHG-JGVFFNPUSA-N 1 0 235.278 0.214 10 0 BCAERO Cc1nc(C[C@H]2CCCN(CC[NH3+])C2)no1 ZINC000262735210 135315175 /nfs/dbraw/zinc/31/51/75/135315175.db2.gz CBXPSXKAPSIHDW-SNVBAGLBSA-N 1 0 224.308 0.591 10 0 BCAERO C[NH2+]CC(=O)N[C@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000262776158 135318056 /nfs/dbraw/zinc/31/80/56/135318056.db2.gz NPYDKVXMUDQSBQ-VHSXEESVSA-N 1 0 228.336 0.916 10 0 BCAERO C[C@@H]([NH3+])CCC(=O)N[C@@H](C(N)=O)C(C)(C)C ZINC000262805418 135319087 /nfs/dbraw/zinc/31/90/87/135319087.db2.gz PXBXUVKYMTVJPS-APPZFPTMSA-N 1 0 229.324 0.130 10 0 BCAERO NC(=[NH2+])NCc1ccncc1OCC(F)F ZINC000262820787 135319538 /nfs/dbraw/zinc/31/95/38/135319538.db2.gz YFTDAUXZOBCGQN-UHFFFAOYSA-N 1 0 230.218 0.709 10 0 BCAERO Cc1nnc2c(N[C@@H]3CCC[NH2+]C3)nccn12 ZINC000079471445 135322631 /nfs/dbraw/zinc/32/26/31/135322631.db2.gz MYQCEIUQLNNEHJ-SECBINFHSA-N 1 0 232.291 0.597 10 0 BCAERO [NH3+]CCN1CCOC[C@H]1Cc1ccccc1 ZINC000262900242 135323018 /nfs/dbraw/zinc/32/30/18/135323018.db2.gz DNXXWSLSDHDOKY-CYBMUJFWSA-N 1 0 220.316 0.889 10 0 BCAERO O=C(NCc1nccs1)[C@H]1CC(F)(F)CN1 ZINC000262981202 135325623 /nfs/dbraw/zinc/32/56/23/135325623.db2.gz MSLYTNYALZVCGK-ZCFIWIBFSA-N 1 0 247.270 0.757 10 0 BCAERO Nc1ccc2c(c1)CCC[C@@H]2NC(=O)C1C[NH2+]C1 ZINC000263098814 135332470 /nfs/dbraw/zinc/33/24/70/135332470.db2.gz NXFYURGSSSYFGP-ZDUSSCGKSA-N 1 0 245.326 0.982 10 0 BCAERO C[C@@](CO)(CNC1=[NH+]CCCN1)c1ccccc1 ZINC000263112553 135333396 /nfs/dbraw/zinc/33/33/96/135333396.db2.gz BERMNDSPQDTKPE-AWEZNQCLSA-N 1 0 247.342 0.876 10 0 BCAERO Cc1nc(C)c(CNC[C@H]2C[NH2+]C[C@@H]2O)s1 ZINC000263128146 135334792 /nfs/dbraw/zinc/33/47/92/135334792.db2.gz BLJCZWHDXRDNPH-ZJUUUORDSA-N 1 0 241.360 0.430 10 0 BCAERO CN1CC[NH2+]C[C@@H]1c1noc(C2(C)CC2)n1 ZINC000263194712 135338419 /nfs/dbraw/zinc/33/84/19/135338419.db2.gz IHMYFMGCUYFLIT-MRVPVSSYSA-N 1 0 222.292 0.697 10 0 BCAERO O[C@H]1C[NH2+]C[C@H]1CNCc1ccc(F)cc1 ZINC000263224752 135341038 /nfs/dbraw/zinc/34/10/38/135341038.db2.gz MQAYMPPGMXEZHU-PWSUYJOCSA-N 1 0 224.279 0.496 10 0 BCAERO O[C@@H]1C[NH2+]C[C@@H]1CNCc1ccc(F)cc1 ZINC000263224747 135341097 /nfs/dbraw/zinc/34/10/97/135341097.db2.gz MQAYMPPGMXEZHU-CMPLNLGQSA-N 1 0 224.279 0.496 10 0 BCAERO O[C@@H]1C[NH2+]C[C@H]1CNCc1ccc(F)c(F)c1 ZINC000263225304 135341116 /nfs/dbraw/zinc/34/11/16/135341116.db2.gz MSLMBJAKIOWNRO-BXKDBHETSA-N 1 0 242.269 0.635 10 0 BCAERO Cc1noc(C)c1C[C@@H](C)NC(=O)C1C[NH2+]C1 ZINC000263246367 135342348 /nfs/dbraw/zinc/34/23/48/135342348.db2.gz DDAJWYCECLTWAJ-SSDOTTSWSA-N 1 0 237.303 0.558 10 0 BCAERO COC[C@@H]([NH3+])C(=O)NCC1(c2ccccc2)CC1 ZINC000263273744 135343332 /nfs/dbraw/zinc/34/33/32/135343332.db2.gz XQLYNPJBFJNDNQ-GFCCVEGCSA-N 1 0 248.326 0.808 10 0 BCAERO COCCC1(CNC(=O)C2C[NH2+]C2)CCCC1 ZINC000263279735 135344136 /nfs/dbraw/zinc/34/41/36/135344136.db2.gz JKLDDBZRLXIEBI-UHFFFAOYSA-N 1 0 240.347 0.919 10 0 BCAERO C[C@@]1(CNC(=O)C2C[NH2+]C2)CCCC[C@H]1O ZINC000263294763 135345062 /nfs/dbraw/zinc/34/50/62/135345062.db2.gz MCVQLTWTHTUDOU-PWSUYJOCSA-N 1 0 226.320 0.263 10 0 BCAERO C[C@@]1(CNC(=O)C2C[NH2+]C2)CCCC[C@@H]1O ZINC000263294762 135345086 /nfs/dbraw/zinc/34/50/86/135345086.db2.gz MCVQLTWTHTUDOU-JQWIXIFHSA-N 1 0 226.320 0.263 10 0 BCAERO O[C@H]1C[NH2+]C[C@@H]1CNCc1cc(F)cc(F)c1 ZINC000263315478 135345735 /nfs/dbraw/zinc/34/57/35/135345735.db2.gz ZJIMBJDLRBYXNE-CABZTGNLSA-N 1 0 242.269 0.635 10 0 BCAERO Cc1ccc(CNC[C@@H]2C[NH2+]C[C@H]2O)cc1F ZINC000263306141 135346098 /nfs/dbraw/zinc/34/60/98/135346098.db2.gz XWZQZVYPAUHCPB-DGCLKSJQSA-N 1 0 238.306 0.804 10 0 BCAERO CSC1(CNC(=O)C2C[NH2+]C2)CCOCC1 ZINC000263306974 135346132 /nfs/dbraw/zinc/34/61/32/135346132.db2.gz OOSOSVCSHWMIKV-UHFFFAOYSA-N 1 0 244.360 0.234 10 0 BCAERO C[C@H](CNC(=O)C1C[NH2+]C1)Oc1ccccc1 ZINC000263343638 135348369 /nfs/dbraw/zinc/34/83/69/135348369.db2.gz YILPKBYNLUWVSS-SNVBAGLBSA-N 1 0 234.299 0.790 10 0 BCAERO [NH3+]CCNC(=O)c1c(F)cc(F)cc1F ZINC000083446242 135449184 /nfs/dbraw/zinc/44/91/84/135449184.db2.gz HUVKEKDGGOADES-UHFFFAOYSA-N 1 0 218.178 0.792 10 0 BCAERO O=C(N[C@H]1C[C@@H]1c1ccccc1)C1C[NH2+]C1 ZINC000084411427 135471873 /nfs/dbraw/zinc/47/18/73/135471873.db2.gz SVQMTEBTDRKQKO-NEPJUHHUSA-N 1 0 216.284 0.878 10 0 BCAERO CCOCCCNC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000085009287 135477568 /nfs/dbraw/zinc/47/75/68/135477568.db2.gz OODHPNMJCMUYPN-NXEZZACHSA-N 1 0 214.309 0.657 10 0 BCAERO O=C(NC1C[NH2+]C1)c1c(F)cccc1F ZINC000085255594 135481585 /nfs/dbraw/zinc/48/15/85/135481585.db2.gz KHLVCSFPAATGRE-UHFFFAOYSA-N 1 0 212.199 0.666 10 0 BCAERO CC(C)Oc1cc(N(C)CC[NH3+])ncn1 ZINC000085483442 135485410 /nfs/dbraw/zinc/48/54/10/135485410.db2.gz AZVHIJDRKRMXGU-UHFFFAOYSA-N 1 0 210.281 0.659 10 0 BCAERO Cc1cc(N2C[C@H](C)[NH2+]C[C@@H]2C)n2ncnc2n1 ZINC000086471244 135492437 /nfs/dbraw/zinc/49/24/37/135492437.db2.gz FQWZRHDNIIQXPV-UWVGGRQHSA-N 1 0 246.318 0.619 10 0 BCAERO [NH3+]C[C@H]1CC[C@@H](C(=O)NCCC2CC2)O1 ZINC000087047840 135502089 /nfs/dbraw/zinc/50/20/89/135502089.db2.gz GVYDRWJEUDTJFQ-ZJUUUORDSA-N 1 0 212.293 0.409 10 0 BCAERO O=C(Cc1c(F)cccc1F)NC1C[NH2+]C1 ZINC000087446514 135507384 /nfs/dbraw/zinc/50/73/84/135507384.db2.gz JAHTXSIXFDIMGZ-UHFFFAOYSA-N 1 0 226.226 0.595 10 0 BCAERO C[C@@H](C(=O)NC[C@@H]1CC[NH2+]C1)n1cccn1 ZINC000087654777 135510636 /nfs/dbraw/zinc/51/06/36/135510636.db2.gz XTVMDJXJLPGBOF-VHSXEESVSA-N 1 0 222.292 0.170 10 0 BCAERO Cc1nnc2c(N[C@H]3CCC[C@@H]3C[NH3+])nccn12 ZINC000089092199 135528877 /nfs/dbraw/zinc/52/88/77/135528877.db2.gz NHIMEJJFDASVDJ-ZJUUUORDSA-N 1 0 246.318 0.972 10 0 BCAERO CCOCCOCC(=O)N[C@H]1CCC[NH2+][C@@H]1C ZINC000193648738 135597697 /nfs/dbraw/zinc/59/76/97/135597697.db2.gz NAUCDPCCRJXBLD-MNOVXSKESA-N 1 0 244.335 0.296 10 0 BCAERO CN(C(=O)c1cnn2ccccc12)C1C[NH2+]C1 ZINC000231914182 135641211 /nfs/dbraw/zinc/64/12/11/135641211.db2.gz LRUNLKHETPOVBI-UHFFFAOYSA-N 1 0 230.271 0.378 10 0 BCAERO CCN(C)CC[NH2+][C@@H](C)C[C@@H]1COCCN1 ZINC000166119072 136075186 /nfs/dbraw/zinc/07/51/86/136075186.db2.gz VYYRMYUFFUCYNY-NWDGAFQWSA-N 1 0 229.368 0.295 10 0 BCAERO Cc1ccncc1C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000335378065 136086169 /nfs/dbraw/zinc/08/61/69/136086169.db2.gz BRCIUMVTDNJDBU-MWLCHTKSSA-N 1 0 219.288 0.809 10 0 BCAERO Cc1ccncc1C(=O)N1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000335378064 136086204 /nfs/dbraw/zinc/08/62/04/136086204.db2.gz BRCIUMVTDNJDBU-KOLCDFICSA-N 1 0 219.288 0.809 10 0 BCAERO CCc1noc(C)c1C(=O)N1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000335379294 136086722 /nfs/dbraw/zinc/08/67/22/136086722.db2.gz INCADWUIOGSWDZ-APPZFPTMSA-N 1 0 237.303 0.965 10 0 BCAERO CCN1CCC[N@H+](CC2(O)CCC2)CC1 ZINC000335557897 136100182 /nfs/dbraw/zinc/10/01/82/136100182.db2.gz MGZUKRXGSDSRBI-UHFFFAOYSA-N 1 0 212.337 0.929 10 0 BCAERO C[NH+](C)[C@H](Cc1ccccc1)C(=O)N1CC(O)C1 ZINC000156239601 397756628 /nfs/dbraw/zinc/75/66/28/397756628.db2.gz KYNFDYHABMFLCZ-CYBMUJFWSA-N 1 0 248.326 0.362 10 0 BCAERO C[NH+](C)[C@@H]1CCN(S(=O)(=O)CCCF)C1 ZINC000175559216 397772380 /nfs/dbraw/zinc/77/23/80/397772380.db2.gz LWPJRTBFZVHTNT-SECBINFHSA-N 1 0 238.328 0.312 10 0 BCAERO C[NH+](C)C[C@@H]1CN(CCCCO)CCO1 ZINC000105924099 397786410 /nfs/dbraw/zinc/78/64/10/397786410.db2.gz NPYVPNGOPAFGEG-LLVKDONJSA-N 1 0 216.325 0.021 10 0 BCAERO O=C(N[C@@H]1CCCOC1)[C@@H]1C[NH2+]CCC1(F)F ZINC000643993079 397744567 /nfs/dbraw/zinc/74/45/67/397744567.db2.gz JCIZLJKTCUQMEQ-BDAKNGLRSA-N 1 0 248.273 0.526 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)NC[C@@H](C)SC ZINC000157944098 397937712 /nfs/dbraw/zinc/93/77/12/397937712.db2.gz YOOPEDLTFABPIZ-HTQZYQBOSA-N 1 0 204.339 0.982 10 0 BCAERO O=S1CCC([NH2+][C@@H]2CC[C@@H]2O)CC1 ZINC000575463792 397946869 /nfs/dbraw/zinc/94/68/69/397946869.db2.gz DAKCJZSRLQNOKE-PYYZTYOOSA-N 1 0 203.307 0.010 10 0 BCAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)[C@H]1CCCOC1 ZINC000382432059 397949877 /nfs/dbraw/zinc/94/98/77/397949877.db2.gz LIXQKULITIFCLH-KXUCPTDWSA-N 1 0 212.293 0.361 10 0 BCAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)[C@@H]1CCCOC1 ZINC000382432070 397949988 /nfs/dbraw/zinc/94/99/88/397949988.db2.gz LIXQKULITIFCLH-OPRDCNLKSA-N 1 0 212.293 0.361 10 0 BCAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)[C@H]1CCCOC1 ZINC000382432074 397950074 /nfs/dbraw/zinc/95/00/74/397950074.db2.gz LIXQKULITIFCLH-UTLUCORTSA-N 1 0 212.293 0.361 10 0 BCAERO C[NH+](C)[C@@H]1CCN(C[C@H](O)CC(F)(F)F)C1 ZINC000307929436 397959744 /nfs/dbraw/zinc/95/97/44/397959744.db2.gz APZFUEUKJVVZTF-RKDXNWHRSA-N 1 0 240.269 0.936 10 0 BCAERO OCc1ccccc1[C@@H]1C[NH2+]CCOC1 ZINC000616662709 397916803 /nfs/dbraw/zinc/91/68/03/397916803.db2.gz KLWGIOOXEXQGLV-LLVKDONJSA-N 1 0 207.273 0.882 10 0 BCAERO NC(=S)C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000070664051 397991114 /nfs/dbraw/zinc/99/11/14/397991114.db2.gz MUBBYCVTIYTGQI-SECBINFHSA-N 1 0 214.334 0.773 10 0 BCAERO C[C@H]1CSC[C@H]1NC(=O)C1C[NH2+]C1 ZINC000307173928 398003783 /nfs/dbraw/zinc/00/37/83/398003783.db2.gz PPPRJCZWVFBIFA-POYBYMJQSA-N 1 0 200.307 0.074 10 0 BCAERO CCN(C)[C@@H]1CC2(CC[C@H]1[NH3+])OCCO2 ZINC000249906145 398021416 /nfs/dbraw/zinc/02/14/16/398021416.db2.gz HMJMXCPDWSXRRC-NXEZZACHSA-N 1 0 214.309 0.561 10 0 BCAERO CCNC(=O)c1cccc(NC(=O)[C@@H](C)[NH2+]C)c1 ZINC000054073192 398025099 /nfs/dbraw/zinc/02/50/99/398025099.db2.gz UHYBBXRGNFWMFK-SECBINFHSA-N 1 0 249.314 0.983 10 0 BCAERO CC(C)(C)OC(=O)[C@H](N)[C@]1(F)CC[NH2+]C1 ZINC000575625762 398035091 /nfs/dbraw/zinc/03/50/91/398035091.db2.gz MGMHOVXFWRALNV-XVKPBYJWSA-N 1 0 218.272 0.357 10 0 BCAERO COc1cc([C@H]2OCC[C@H]2[NH3+])sn1 ZINC000307122488 397982398 /nfs/dbraw/zinc/98/23/98/397982398.db2.gz LYBDCIGCAUBZNT-XRGYYRRGSA-N 1 0 200.263 0.940 10 0 BCAERO C[C@@H]1CCNC(=O)[C@@H]1[NH2+]C1CSC1 ZINC000307134371 397986189 /nfs/dbraw/zinc/98/61/89/397986189.db2.gz OCYKTTYNFZIRSI-HTRCEHHLSA-N 1 0 200.307 0.216 10 0 BCAERO C[C@@H]1C[C@@H](O)C[N@H+](Cc2cnn(C)c2)C1 ZINC000334747729 398066636 /nfs/dbraw/zinc/06/66/36/398066636.db2.gz VQXSJGFPIKBXAM-MWLCHTKSSA-N 1 0 209.293 0.623 10 0 BCAERO COC[C@H](C)NC(=O)[C@H]([NH3+])CC(F)F ZINC000389300624 398069883 /nfs/dbraw/zinc/06/98/83/398069883.db2.gz LWGMXZKOZFCTLS-NTSWFWBYSA-N 1 0 210.224 0.120 10 0 BCAERO CCn1ncnc1CN[C@@H]1CC[N@H+](CC)C1 ZINC000389310564 398073070 /nfs/dbraw/zinc/07/30/70/398073070.db2.gz DYIHLSTWQXCFMR-SNVBAGLBSA-N 1 0 223.324 0.482 10 0 BCAERO C/C=C/CN1CCSC[C@H]1C(N)=O ZINC000307317209 398077269 /nfs/dbraw/zinc/07/72/69/398077269.db2.gz OGUWGJBSYWHUAA-SGJFDWMWSA-N 1 0 200.307 0.465 10 0 BCAERO CC(C)(C)[C@@H](O)C[NH2+]C[C@@H]1COCCO1 ZINC000389453823 398094333 /nfs/dbraw/zinc/09/43/33/398094333.db2.gz VZXSLDIBTROWAP-ZJUUUORDSA-N 1 0 217.309 0.398 10 0 BCAERO CCc1cc(=NC(=O)[C@H]2CCC[NH2+][C@H]2C)[nH][nH]1 ZINC000384345786 398082867 /nfs/dbraw/zinc/08/28/67/398082867.db2.gz CUTHKKAWTUNYSV-WPRPVWTQSA-N 1 0 236.319 0.721 10 0 BCAERO CC(C)(O)C[N@@H+]1CCO[C@]2(CCOC2)C1 ZINC000185133094 398089196 /nfs/dbraw/zinc/08/91/96/398089196.db2.gz PKSDWNNJZNVMLL-LLVKDONJSA-N 1 0 215.293 0.249 10 0 BCAERO CCCC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000116792417 398091038 /nfs/dbraw/zinc/09/10/38/398091038.db2.gz NUQNTYHPEVYYQI-JTQLQIEISA-N 1 0 214.309 0.576 10 0 BCAERO Cn1nc(Br)cc1C(=[NH2+])NO ZINC000575498921 398099610 /nfs/dbraw/zinc/09/96/10/398099610.db2.gz BSQGMNZYDAEFGV-UHFFFAOYSA-N 1 0 219.042 0.487 10 0 BCAERO C[C@@H]1C[C@@H](NC(=O)C2([NH3+])CCOCC2)[C@H](C)O1 ZINC000384906612 398116259 /nfs/dbraw/zinc/11/62/59/398116259.db2.gz ODRYJEGFFWHZBV-KXUCPTDWSA-N 1 0 242.319 0.176 10 0 BCAERO C[C@@H]1C[C@@H](O)C[N@H+](CCOC[C@@H]2CCCO2)C1 ZINC000650328022 398114906 /nfs/dbraw/zinc/11/49/06/398114906.db2.gz AJHUGSKHFGHINN-UPJWGTAASA-N 1 0 243.347 0.885 10 0 BCAERO CC(C)NC(=O)CN(C)C(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000091548963 167045950 /nfs/dbraw/zinc/04/59/50/167045950.db2.gz JHTOWASCNAXHOF-UWVGGRQHSA-N 1 0 241.335 0.097 10 0 BCAERO C[NH2+]CCCC(=O)NCC[S@@](=O)C(C)(C)C ZINC000237166874 173344553 /nfs/dbraw/zinc/34/45/53/173344553.db2.gz RMOWIKREFSODFZ-MRXNPFEDSA-N 1 0 248.392 0.649 10 0 BCAERO CC(C)NC(=O)CNC(=O)C[C@H]1CCCC[NH2+]1 ZINC000036782052 167056753 /nfs/dbraw/zinc/05/67/53/167056753.db2.gz KYPGWBRTHLTDQC-SNVBAGLBSA-N 1 0 241.335 0.159 10 0 BCAERO CC(C)NC(=O)CNC1CC[NH+](C)CC1 ZINC000037248978 167057825 /nfs/dbraw/zinc/05/78/25/167057825.db2.gz YVCPVCJPANKIHU-UHFFFAOYSA-N 1 0 213.325 0.195 10 0 BCAERO CC(C)NC(=O)CNCCC[NH+](C)C ZINC000020054086 167058479 /nfs/dbraw/zinc/05/84/79/167058479.db2.gz PHPOOEFKSSZSEL-UHFFFAOYSA-N 1 0 201.314 0.052 10 0 BCAERO Cc1c(C[NH2+]CC2CC(O)C2)cnn1C ZINC000086552175 322868837 /nfs/dbraw/zinc/86/88/37/322868837.db2.gz RYHGQKXFGJWDOC-UHFFFAOYSA-N 1 0 209.293 0.589 10 0 BCAERO CC(C)NC(=O)CN[C@H](C)[C@@H]1CCC[N@H+](C)C1 ZINC000036781496 167060482 /nfs/dbraw/zinc/06/04/82/167060482.db2.gz BJJFANGMLXAJSD-VXGBXAGGSA-N 1 0 241.379 0.831 10 0 BCAERO CC(C)NC(=O)N1CCCN(CC[NH3+])CC1 ZINC000037039315 167069379 /nfs/dbraw/zinc/06/93/79/167069379.db2.gz QIDBKUNTUSZZFJ-UHFFFAOYSA-N 1 0 228.340 0.071 10 0 BCAERO CC(C)[NH2+]CCN1CCN2C(=O)CC[C@@H]2C1 ZINC000123483563 167103908 /nfs/dbraw/zinc/10/39/08/167103908.db2.gz OMNOZMVFABONDU-LLVKDONJSA-N 1 0 225.336 0.291 10 0 BCAERO CC(C)[NH2+][C@]1(CO)COc2cc(O)ccc21 ZINC000038115527 167142659 /nfs/dbraw/zinc/14/26/59/167142659.db2.gz ANKMLTVFOLRVRQ-GFCCVEGCSA-N 1 0 223.272 0.970 10 0 BCAERO C[C@H]1NC(=O)CC[C@H]1[NH2+][C@@H]1CCC[C@H]1O ZINC000392958852 487558225 /nfs/dbraw/zinc/55/82/25/487558225.db2.gz IBDLRBOLHYHTBN-ZYUZMQFOSA-N 1 0 212.293 0.157 10 0 BCAERO O=C(CCOCC(F)F)NC[C@@H]1CC[NH2+]C1 ZINC000232337819 487559812 /nfs/dbraw/zinc/55/98/12/487559812.db2.gz GEGSIDPQNVAUJZ-MRVPVSSYSA-N 1 0 236.262 0.384 10 0 BCAERO COC[C@H](C)NC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000227868529 487561398 /nfs/dbraw/zinc/56/13/98/487561398.db2.gz VLPXYJDGADVPNM-DJLDLDEBSA-N 1 0 200.282 0.265 10 0 BCAERO CCCCOC[C@@H](O)C[NH2+]C[C@@H]1CCOC1 ZINC000227889739 487562529 /nfs/dbraw/zinc/56/25/29/487562529.db2.gz YCULYVKETOZDGV-RYUDHWBXSA-N 1 0 231.336 0.790 10 0 BCAERO CCCCOC[C@@H](O)C[NH2+][C@H](CC)CO ZINC000227888791 487562567 /nfs/dbraw/zinc/56/25/67/487562567.db2.gz RRIGOQAKPVZNQM-MNOVXSKESA-N 1 0 219.325 0.525 10 0 BCAERO C[C@H]1NC(=O)CC[C@H]1[NH2+][C@@H]1CCCC[C@H]1O ZINC000393072895 487563451 /nfs/dbraw/zinc/56/34/51/487563451.db2.gz BQKZBJQEMIDUNR-GWOFURMSSA-N 1 0 226.320 0.547 10 0 BCAERO C[C@H](NC(=O)CC1([NH3+])CCC1)[C@@H]1CCCO1 ZINC000086853252 487569739 /nfs/dbraw/zinc/56/97/39/487569739.db2.gz JKIPAEQGWWYACG-UWVGGRQHSA-N 1 0 226.320 0.942 10 0 BCAERO C[C@@H](O)CCNC(=O)CC1([NH3+])CCC1 ZINC000086853700 487570018 /nfs/dbraw/zinc/57/00/18/487570018.db2.gz ZQFNZRQSNQSPLV-MRVPVSSYSA-N 1 0 200.282 0.145 10 0 BCAERO [NH3+]C1(CC(=O)NC[C@@H]2CCC[C@H]2O)CCC1 ZINC000086853745 487571307 /nfs/dbraw/zinc/57/13/07/487571307.db2.gz QMQITZSBVNWUIP-VHSXEESVSA-N 1 0 226.320 0.535 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)NC[C@H]2CCC[NH2+]C2)O1 ZINC000251667097 322906663 /nfs/dbraw/zinc/90/66/63/322906663.db2.gz GHCOMVHXNBUGCZ-OUAUKWLOSA-N 1 0 226.320 0.670 10 0 BCAERO COC[C@@H](NC(=O)[C@H]1CC[NH2+]C1)C(C)C ZINC000083399145 322909855 /nfs/dbraw/zinc/90/98/55/322909855.db2.gz MIDLDUNNEBHINN-VHSXEESVSA-N 1 0 214.309 0.383 10 0 BCAERO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCNC2=O)CS1 ZINC000086935776 487586417 /nfs/dbraw/zinc/58/64/17/487586417.db2.gz KQORZMYVGKXHNR-IWSPIJDZSA-N 1 0 214.334 0.749 10 0 BCAERO CC(C)(C)[C@H](O)CNC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000324381245 487587859 /nfs/dbraw/zinc/58/78/59/487587859.db2.gz WLGDVPFERLWJDO-OUAUKWLOSA-N 1 0 242.363 0.885 10 0 BCAERO CC(C)OC[C@@H](C)[NH2+][C@@H]1CCCNC1=O ZINC000336749110 167257470 /nfs/dbraw/zinc/25/74/70/167257470.db2.gz DWFXYXUFYXGQCT-NXEZZACHSA-N 1 0 214.309 0.668 10 0 BCAERO CC(C)OC[C@H](O)C[NH2+][C@@H](CN(C)C)C(C)C ZINC000049204402 167269793 /nfs/dbraw/zinc/26/97/93/167269793.db2.gz TVIATZGTOOHOGV-OLZOCXBDSA-N 1 0 246.395 0.948 10 0 BCAERO CC(C)(C)[C@H](O)CNC(=O)[C@@H]1CC[NH2+]C1 ZINC000324385232 487592336 /nfs/dbraw/zinc/59/23/36/487592336.db2.gz XOWOUMREKMDSKC-RKDXNWHRSA-N 1 0 214.309 0.119 10 0 BCAERO CC(C)(C)CCS(=O)(=O)NC[C@H]1CC[NH2+]C1 ZINC000232508254 487599318 /nfs/dbraw/zinc/59/93/18/487599318.db2.gz ATORECQCEWXXMY-JTQLQIEISA-N 1 0 248.392 0.952 10 0 BCAERO O=C(CC1CCCC1)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000262227636 487601103 /nfs/dbraw/zinc/60/11/03/487601103.db2.gz KBOCQYAUGDGBGB-WDEREUQCSA-N 1 0 226.320 0.263 10 0 BCAERO CC(C)S(=O)(=O)CCN1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000226422237 167316902 /nfs/dbraw/zinc/31/69/02/167316902.db2.gz GIXQTGFVOMJVBB-QWRGUYRKSA-N 1 0 248.392 0.479 10 0 BCAERO CC(C)S(=O)(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000037657519 167319183 /nfs/dbraw/zinc/31/91/83/167319183.db2.gz VKIUGGDBIRQWQU-VIFPVBQESA-N 1 0 220.338 0.456 10 0 BCAERO CC(C)S(=O)(=O)N1CCCC[C@@H]1[NH3+] ZINC000037657594 167319961 /nfs/dbraw/zinc/31/99/61/167319961.db2.gz ASKLBCNNYNEQDQ-MRVPVSSYSA-N 1 0 206.311 0.495 10 0 BCAERO CC(C)S(=O)(=O)N[C@H]1CCCC[C@H]1[NH3+] ZINC000038050215 167319524 /nfs/dbraw/zinc/31/95/24/167319524.db2.gz XBSJDXJRTCNIKH-BDAKNGLRSA-N 1 0 220.338 0.584 10 0 BCAERO CC(C)S(=O)(=O)N[C@@H](C)C1CC[NH2+]CC1 ZINC000037657538 167319607 /nfs/dbraw/zinc/31/96/07/167319607.db2.gz XJFAZIPRWBRZTE-VIFPVBQESA-N 1 0 234.365 0.702 10 0 BCAERO CC(C)S(=O)(=O)N1CCCC[C@H]1[NH3+] ZINC000037657595 167319698 /nfs/dbraw/zinc/31/96/98/167319698.db2.gz ASKLBCNNYNEQDQ-QMMMGPOBSA-N 1 0 206.311 0.495 10 0 BCAERO CCOC(=O)[C@H](N)[C@@H](O)c1cccnc1C ZINC000536960435 487605420 /nfs/dbraw/zinc/60/54/20/487605420.db2.gz OSBPUTYCWBFWEB-ZJUUUORDSA-N 1 0 224.260 0.314 10 0 BCAERO C[C@H]1CN(C(=O)CC2([NH3+])CC2)C[C@H](C)O1 ZINC000398145510 487606193 /nfs/dbraw/zinc/60/61/93/487606193.db2.gz BOBFKNVHFVQDIP-IUCAKERBSA-N 1 0 212.293 0.504 10 0 BCAERO Cc1nnsc1CN1CCC[C@H]1C[NH3+] ZINC000306353954 487608290 /nfs/dbraw/zinc/60/82/90/487608290.db2.gz GTXKDPGPXIBNFO-QMMMGPOBSA-N 1 0 212.322 0.770 10 0 BCAERO COCCCCNC(=O)[C@H]1CCC[NH2+][C@@H]1C ZINC000087122730 487608764 /nfs/dbraw/zinc/60/87/64/487608764.db2.gz RNEGNCZDJSDAJD-MNOVXSKESA-N 1 0 228.336 0.917 10 0 BCAERO CC[C@]1(C(=O)N[C@@H]2CCC[C@H](O)C2)CCC[NH2+]1 ZINC000215312970 409910623 /nfs/dbraw/zinc/91/06/23/409910623.db2.gz FRTSRXRWZFOWHK-NTZNESFSSA-N 1 0 240.347 0.938 10 0 BCAERO CC(C)(C)[C@@H](O)C[NH2+]C[C@H](O)C(F)(F)F ZINC000308841372 409915906 /nfs/dbraw/zinc/91/59/06/409915906.db2.gz YYYHEGSAPDLGAW-BQBZGAKWSA-N 1 0 229.242 0.906 10 0 BCAERO CCCC(CCC)C(=O)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000653138979 409860132 /nfs/dbraw/zinc/86/01/32/409860132.db2.gz PSZJJVXQHWLEDO-NWDGAFQWSA-N 1 0 242.363 0.899 10 0 BCAERO COC[C@H](NC(=O)C1([NH3+])CCOCC1)C(C)C ZINC000127986055 409899486 /nfs/dbraw/zinc/89/94/86/409899486.db2.gz CYZXONKMWDSGRT-JTQLQIEISA-N 1 0 244.335 0.282 10 0 BCAERO COC[C@@]1(C(=O)NCC(C)(F)F)CCC[NH2+]1 ZINC000662897413 409970892 /nfs/dbraw/zinc/97/08/92/409970892.db2.gz GPKCBVUSAHTUQB-SNVBAGLBSA-N 1 0 236.262 0.526 10 0 BCAERO C[C@H]1CN(C(=O)c2ncccc2N)C[C@H]1[NH+](C)C ZINC000132821631 409928708 /nfs/dbraw/zinc/92/87/08/409928708.db2.gz JCQKYVKBDSQHMQ-GXSJLCMTSA-N 1 0 248.330 0.686 10 0 BCAERO CC(C)(C)[C@H](O)C[NH2+][C@@H]1COCC[C@H]1O ZINC000634729230 410047161 /nfs/dbraw/zinc/04/71/61/410047161.db2.gz BTMHQVSHFXKCFA-OPRDCNLKSA-N 1 0 217.309 0.133 10 0 BCAERO Cc1cn(C)nc1NC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000662970264 409998197 /nfs/dbraw/zinc/99/81/97/409998197.db2.gz HNPILCFKKHVEGF-DTWKUNHWSA-N 1 0 222.292 0.794 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)N[C@@H]1CCO[C@@H]1C ZINC000226447711 487611873 /nfs/dbraw/zinc/61/18/73/487611873.db2.gz CXRRDOWKYQQSKZ-OPRDCNLKSA-N 1 0 214.309 0.653 10 0 BCAERO CCOC(=O)c1sc(NCC[NH3+])nc1C ZINC000313462536 410053103 /nfs/dbraw/zinc/05/31/03/410053103.db2.gz NLNXARKCUNKYTP-UHFFFAOYSA-N 1 0 229.305 0.999 10 0 BCAERO Cc1nnsc1C(=O)N1CC[C@H]([NH3+])[C@H]1C ZINC000309066470 410216557 /nfs/dbraw/zinc/21/65/57/410216557.db2.gz ZUBVCCYXEWHCCE-RQJHMYQMSA-N 1 0 226.305 0.408 10 0 BCAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]C[C@@H]1CCCN1C ZINC000393000357 410286554 /nfs/dbraw/zinc/28/65/54/410286554.db2.gz SJNRBQNVHAEARF-DCAQKATOSA-N 1 0 225.336 0.337 10 0 BCAERO C[NH2+][C@H](C)C(=O)N1CCO[C@@H](C(F)(F)F)C1 ZINC000655438232 410260697 /nfs/dbraw/zinc/26/06/97/410260697.db2.gz WMPNFEQBMBJJJX-RNFRBKRXSA-N 1 0 240.225 0.384 10 0 BCAERO C[NH2+][C@H](C)C(=O)N1CCC[C@@H]1COC ZINC000655441283 410265035 /nfs/dbraw/zinc/26/50/35/410265035.db2.gz GWTMGDFZJNICQR-RKDXNWHRSA-N 1 0 200.282 0.232 10 0 BCAERO Cc1c(C(=O)N2CC[C@@H]([NH3+])[C@@H]2C)cnn1C ZINC000309177230 410269307 /nfs/dbraw/zinc/26/93/07/410269307.db2.gz DHXAOGDJMFVWGN-WCBMZHEXSA-N 1 0 222.292 0.290 10 0 BCAERO CCCCOC[C@@H](O)C[NH2+][C@@H](CO)C1CCC1 ZINC000661153725 410306323 /nfs/dbraw/zinc/30/63/23/410306323.db2.gz LJLVFFXSBHJZHP-STQMWFEESA-N 1 0 245.363 0.915 10 0 BCAERO CCCCOC[C@H](O)C[NH2+][C@@H](CO)C1CCC1 ZINC000661153719 410306385 /nfs/dbraw/zinc/30/63/85/410306385.db2.gz LJLVFFXSBHJZHP-OLZOCXBDSA-N 1 0 245.363 0.915 10 0 BCAERO CCN1CCN(C(=O)C[C@H]([NH3+])C(C)C)CC1 ZINC000128876111 410364907 /nfs/dbraw/zinc/36/49/07/410364907.db2.gz SJRDCXDLQPAWBT-NSHDSACASA-N 1 0 227.352 0.524 10 0 BCAERO CCn1nc(C)cc1C(=O)NC[C@H]1CC[NH2+]C1 ZINC000133665658 410442216 /nfs/dbraw/zinc/44/22/16/410442216.db2.gz VBSBUUOPYXJUCE-JTQLQIEISA-N 1 0 236.319 0.551 10 0 BCAERO C[C@@H]([NH3+])CNc1ccc2nccnc2n1 ZINC000087201189 487616198 /nfs/dbraw/zinc/61/61/98/487616198.db2.gz AOKXNGYHHWJKNE-SSDOTTSWSA-N 1 0 203.249 0.784 10 0 BCAERO CCN(CC)C(=O)[C@@H](C)N1CC[NH2+]C[C@@H]1C ZINC000054374440 169755397 /nfs/dbraw/zinc/75/53/97/169755397.db2.gz OMOGORSWIJWKRL-WDEREUQCSA-N 1 0 227.352 0.537 10 0 BCAERO CCN(CC)C(=O)[C@H](C)N1CC[NH2+]C[C@@H]1C ZINC000054374442 169757951 /nfs/dbraw/zinc/75/79/51/169757951.db2.gz OMOGORSWIJWKRL-QWRGUYRKSA-N 1 0 227.352 0.537 10 0 BCAERO CC(C)(C)C(=O)N1CCCN(CC[NH3+])CC1 ZINC000037038301 166524602 /nfs/dbraw/zinc/52/46/02/166524602.db2.gz KBFGIFNUIXOWCD-UHFFFAOYSA-N 1 0 227.352 0.526 10 0 BCAERO CN(C(=O)Cn1cc(C(C)(C)[NH3+])nn1)C1CC1 ZINC000070118416 410664586 /nfs/dbraw/zinc/66/45/86/410664586.db2.gz OCAJIWBSVMTBBE-UHFFFAOYSA-N 1 0 237.307 0.093 10 0 BCAERO CCCNC(=O)[C@@H](C)n1cc(C(C)(C)[NH3+])nn1 ZINC000070117856 410664640 /nfs/dbraw/zinc/66/46/40/410664640.db2.gz BODRWXSGTYTLLF-MRVPVSSYSA-N 1 0 239.323 0.559 10 0 BCAERO CC(C)(C)OC(=O)NC[C@H](O)C1CC[NH2+]CC1 ZINC000076688703 166662462 /nfs/dbraw/zinc/66/24/62/166662462.db2.gz CVVGLISFAATIQX-JTQLQIEISA-N 1 0 244.335 0.872 10 0 BCAERO CC(C)(C)[C@@H](C[NH3+])N1CCS(=O)CC1 ZINC000049691466 166693196 /nfs/dbraw/zinc/69/31/96/166693196.db2.gz BWOLRHCONKOTOW-SECBINFHSA-N 1 0 218.366 0.424 10 0 BCAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)C[C@@H]1CCCO1 ZINC000393741916 410757072 /nfs/dbraw/zinc/75/70/72/410757072.db2.gz JRUQWZBEWUQATB-UTLUCORTSA-N 1 0 212.293 0.504 10 0 BCAERO CC(C)[C@@H]([NH3+])CC(=O)NCCCn1cncn1 ZINC000394440422 410798886 /nfs/dbraw/zinc/79/88/86/410798886.db2.gz BYVQRNOTLGVKOL-JTQLQIEISA-N 1 0 239.323 0.158 10 0 BCAERO [NH3+]CC1(CCNc2ccc3nccnc3n2)CC1 ZINC000395865695 410865456 /nfs/dbraw/zinc/86/54/56/410865456.db2.gz GTPPRJDMFZNHCW-UHFFFAOYSA-N 1 0 243.314 0.939 10 0 BCAERO Cc1nccc(NCCC2(C[NH3+])CC2)n1 ZINC000395895627 410867028 /nfs/dbraw/zinc/86/70/28/410867028.db2.gz JKOTWBIHSQUPMM-UHFFFAOYSA-N 1 0 206.293 0.748 10 0 BCAERO [NH3+]CC1(CCNc2ncc(F)cn2)CC1 ZINC000395924710 410868782 /nfs/dbraw/zinc/86/87/82/410868782.db2.gz ZTZGJPJDMAKLLS-UHFFFAOYSA-N 1 0 210.256 0.579 10 0 BCAERO CC(C)C[NH2+]C1(C(N)=O)C[C@H]2CC[C@@H](C1)N2C ZINC000037946046 167003488 /nfs/dbraw/zinc/00/34/88/167003488.db2.gz MQHQXXALOHNLGU-QYJAPNMZSA-N 1 0 239.363 0.713 10 0 BCAERO Cc1nccc(C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)n1 ZINC000396900027 410903822 /nfs/dbraw/zinc/90/38/22/410903822.db2.gz XCPQKZXCSBASCV-VXNVDRBHSA-N 1 0 220.276 0.204 10 0 BCAERO CC(C)C[NH2+][C@H]1CC(=O)N(C(C)C)C1=O ZINC000036850883 167014963 /nfs/dbraw/zinc/01/49/63/167014963.db2.gz WTJMEPVIZPRYDC-VIFPVBQESA-N 1 0 212.293 0.768 10 0 BCAERO CC(C)N1CC[C@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC000050395581 167024957 /nfs/dbraw/zinc/02/49/57/167024957.db2.gz QESHTOCRUQVQAQ-WDEREUQCSA-N 1 0 225.336 0.337 10 0 BCAERO CC(C)NC(=O)C[NH2+]Cc1ccccc1C(N)=O ZINC000036781758 167058226 /nfs/dbraw/zinc/05/82/26/167058226.db2.gz ANCGVOHGVVKOOH-UHFFFAOYSA-N 1 0 249.314 0.400 10 0 BCAERO CC(C)NC(=O)C[NH2+]CCc1ccco1 ZINC000037976037 167058939 /nfs/dbraw/zinc/05/89/39/167058939.db2.gz MEKLDLIQXSXAPS-UHFFFAOYSA-N 1 0 210.277 0.936 10 0 BCAERO CC(C)NC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000117022207 167069507 /nfs/dbraw/zinc/06/95/07/167069507.db2.gz AIBYDYUDZMOZRO-SNVBAGLBSA-N 1 0 229.324 0.367 10 0 BCAERO CC(C)NC(=S)N[C@H]1C[NH+]2CCC1CC2 ZINC000135779683 167092220 /nfs/dbraw/zinc/09/22/20/167092220.db2.gz BYZJLZSJQJYKBG-JTQLQIEISA-N 1 0 227.377 0.953 10 0 BCAERO CC(C)[NH2+]CC(=O)N[C@H](CO)c1ccccc1 ZINC000063003805 167096723 /nfs/dbraw/zinc/09/67/23/167096723.db2.gz GEOGMTJHALJNMW-GFCCVEGCSA-N 1 0 236.315 0.834 10 0 BCAERO CC(C)[NH2+]CCC(=O)N1CCCC[C@H]1C(N)=O ZINC000037996514 167099536 /nfs/dbraw/zinc/09/95/36/167099536.db2.gz KCZVWBCFDHINGJ-JTQLQIEISA-N 1 0 241.335 0.241 10 0 BCAERO CC(C)[NH2+]CCN(C)Cc1cnn(C)c1 ZINC000042489279 167104068 /nfs/dbraw/zinc/10/40/68/167104068.db2.gz YGXVBCDOYPFXFL-UHFFFAOYSA-N 1 0 210.325 0.850 10 0 BCAERO CC(C)[NH2+]CCNCCCn1ccnc1 ZINC000049474768 167106545 /nfs/dbraw/zinc/10/65/45/167106545.db2.gz VBJBKMWAGXZHBR-UHFFFAOYSA-N 1 0 210.325 0.861 10 0 BCAERO CC(C)[NH2+]C[C@@H](O)CN1C(=O)CCCCC1=O ZINC000035327927 167110599 /nfs/dbraw/zinc/11/05/99/167110599.db2.gz BBPDAQIFUWSCIT-SNVBAGLBSA-N 1 0 242.319 0.275 10 0 BCAERO CC(C)[NH2+]Cc1nnnn1CC1CCOCC1 ZINC000104188333 167122734 /nfs/dbraw/zinc/12/27/34/167122734.db2.gz ZPFUETOPHVVJSV-UHFFFAOYSA-N 1 0 239.323 0.598 10 0 BCAERO CC(C)NS(=O)(=O)CC1CC[NH2+]CC1 ZINC000049631923 167123927 /nfs/dbraw/zinc/12/39/27/167123927.db2.gz SCDZABHFOLKISI-UHFFFAOYSA-N 1 0 220.338 0.314 10 0 BCAERO CC(C)NS(=O)(=O)c1cc(C[NH3+])ccc1F ZINC000020188774 167129504 /nfs/dbraw/zinc/12/95/04/167129504.db2.gz PEMBJRBRJYFDEZ-UHFFFAOYSA-N 1 0 246.307 0.971 10 0 BCAERO CC(C)NS(=O)(=O)c1ccc(C[NH3+])s1 ZINC000034975259 167129936 /nfs/dbraw/zinc/12/99/36/167129936.db2.gz VIBJCPJBLFYPNR-UHFFFAOYSA-N 1 0 234.346 0.894 10 0 BCAERO CC(C)OC(=O)Cn1cccc(C[NH3+])c1=O ZINC000076730516 167162213 /nfs/dbraw/zinc/16/22/13/167162213.db2.gz VWBYLIDFWCXSKI-UHFFFAOYSA-N 1 0 224.260 0.259 10 0 BCAERO CC(C)OC1CC([NH2+]CCn2cncn2)C1 ZINC000309405753 167176798 /nfs/dbraw/zinc/17/67/98/167176798.db2.gz HYYHPKFJGDPWAB-UHFFFAOYSA-N 1 0 224.308 0.824 10 0 BCAERO CC(C)OCC(=O)N1CC[C@@H]([NH3+])[C@@H]1C ZINC000335915610 167182118 /nfs/dbraw/zinc/18/21/18/167182118.db2.gz MFXUDZPRPSHUME-DTWKUNHWSA-N 1 0 200.282 0.360 10 0 BCAERO CCCCOC[C@H](O)C[NH2+][C@H](C)CCO ZINC000227895646 487619358 /nfs/dbraw/zinc/61/93/58/487619358.db2.gz LZJSAGCXSPPTEG-GHMZBOCLSA-N 1 0 219.325 0.525 10 0 BCAERO CC(C)Oc1ccc([C@@H]([NH3+])C(N)=O)cc1 ZINC000037895061 167298187 /nfs/dbraw/zinc/29/81/87/167298187.db2.gz FQKBEPYNLWULPX-SNVBAGLBSA-N 1 0 208.261 0.959 10 0 BCAERO CC(C)Oc1cccc([C@@H]([NH3+])C(N)=O)c1 ZINC000041663753 167308806 /nfs/dbraw/zinc/30/88/06/167308806.db2.gz SDSRUYNXWSXOCI-SNVBAGLBSA-N 1 0 208.261 0.959 10 0 BCAERO CC(C)[C@@H](C)N(C)C(=O)CN1CC[NH2+]CC1 ZINC000036788210 167364782 /nfs/dbraw/zinc/36/47/82/167364782.db2.gz RTXWRVCHKBUXFI-LLVKDONJSA-N 1 0 227.352 0.395 10 0 BCAERO CC(C)[C@@H](C)N(C)C(=O)[C@H]1C[NH2+]CCO1 ZINC000043708123 167366172 /nfs/dbraw/zinc/36/61/72/167366172.db2.gz XGSMHJBTBHJHRE-NXEZZACHSA-N 1 0 214.309 0.478 10 0 BCAERO CC(C)[C@@H](C)NS(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000020523626 167384141 /nfs/dbraw/zinc/38/41/41/167384141.db2.gz RVDZFDUOBISVQP-NXEZZACHSA-N 1 0 234.365 0.702 10 0 BCAERO C[C@H](NC(=O)[C@@H]1CCC[C@H]1C[NH3+])c1ncon1 ZINC000398011930 410940155 /nfs/dbraw/zinc/94/01/55/410940155.db2.gz MXEBVDCQBAOMOH-XHNCKOQMSA-N 1 0 238.291 0.622 10 0 BCAERO CC(C)[C@@H](C[NH3+])C(=O)N1CCOCC1(C)C ZINC000044804518 167395568 /nfs/dbraw/zinc/39/55/68/167395568.db2.gz VZKWEGZYQSMXTO-SNVBAGLBSA-N 1 0 228.336 0.855 10 0 BCAERO CC(C)[C@@H](CN(C)C)[NH2+][C@@H]1CCCCNC1=O ZINC000049216267 167395985 /nfs/dbraw/zinc/39/59/85/167395985.db2.gz VIWDXMWVPWDBAK-VXGBXAGGSA-N 1 0 241.379 0.831 10 0 BCAERO Cn1nnnc1NCc1ccc(C[NH3+])cc1F ZINC000103958460 410920997 /nfs/dbraw/zinc/92/09/97/410920997.db2.gz IGVLGBUNZCBGFM-UHFFFAOYSA-N 1 0 236.254 0.420 10 0 BCAERO CNC(=O)CCCNC(=O)C[C@@H]([NH3+])C(C)C ZINC000398369837 410962425 /nfs/dbraw/zinc/96/24/25/410962425.db2.gz CJMIMMCHWVSXRI-SECBINFHSA-N 1 0 229.324 0.002 10 0 BCAERO O=C(C[C@H]1CCC[NH2+]1)NCC[C@@H]1CCCO1 ZINC000042170457 410972653 /nfs/dbraw/zinc/97/26/53/410972653.db2.gz ONPSMXPGNXMVJX-MNOVXSKESA-N 1 0 226.320 0.814 10 0 BCAERO O=C(C[C@@H]1CCC[NH2+]1)N[C@@H]1CCC[C@H](O)C1 ZINC000042166359 410973597 /nfs/dbraw/zinc/97/35/97/410973597.db2.gz IERXHMZNXKOFGF-AXFHLTTASA-N 1 0 226.320 0.548 10 0 BCAERO O=C(C[C@@H]1CCC[NH2+]1)N[C@H]1CCC[C@H](O)C1 ZINC000042166358 410973635 /nfs/dbraw/zinc/97/36/35/410973635.db2.gz IERXHMZNXKOFGF-DCAQKATOSA-N 1 0 226.320 0.548 10 0 BCAERO CO[C@H]1C[NH2+][C@@H](C(=O)N(C)CC2CC2)C1 ZINC000042277021 410984393 /nfs/dbraw/zinc/98/43/93/410984393.db2.gz UXNXPKSUXVOUNY-NXEZZACHSA-N 1 0 212.293 0.232 10 0 BCAERO CN(C[C@H]1CCOC1)C(=O)C1CCC([NH3+])CC1 ZINC000398853832 410992638 /nfs/dbraw/zinc/99/26/38/410992638.db2.gz SMTYMPIEHHALFL-VOMCLLRMSA-N 1 0 240.347 0.999 10 0 BCAERO COC[C@H](C)NC(=O)[C@@H](C(C)C)[C@H](C)[NH3+] ZINC000399498742 411046708 /nfs/dbraw/zinc/04/67/08/411046708.db2.gz ICWARVHNZUWKRA-GUBZILKMSA-N 1 0 216.325 0.757 10 0 BCAERO COc1cccnc1N1CC[C@@H](C[NH3+])C1 ZINC000107203722 411132802 /nfs/dbraw/zinc/13/28/02/411132802.db2.gz PZQVKYHNPIGYCR-VIFPVBQESA-N 1 0 207.277 0.875 10 0 BCAERO C[C@H](C(=O)N1CCCC[C@H]1C[NH3+])n1cncn1 ZINC000044540841 411137437 /nfs/dbraw/zinc/13/74/37/411137437.db2.gz QOAPEGNQSMUHGI-ZJUUUORDSA-N 1 0 237.307 0.179 10 0 BCAERO O[C@@H]1C[NH2+]C[C@H]1CNc1ncnc2ccccc21 ZINC000643040303 411139058 /nfs/dbraw/zinc/13/90/58/411139058.db2.gz QSDLRPWIJUCUCC-JOYOIKCWSA-N 1 0 244.298 0.622 10 0 BCAERO C[C@H](C[NH3+])C(=O)NCC[C@@H]1CCCO1 ZINC000044808385 411140949 /nfs/dbraw/zinc/14/09/49/411140949.db2.gz SXCABNMUILOJBL-BDAKNGLRSA-N 1 0 200.282 0.267 10 0 BCAERO CN(Cc1cnn(C)c1)[C@@H]1CCC[NH2+]CC1 ZINC000082666842 411151627 /nfs/dbraw/zinc/15/16/27/411151627.db2.gz IEBSYWKUGUYTKF-GFCCVEGCSA-N 1 0 222.336 0.994 10 0 BCAERO CN(Cc1cnn(C)c1)[C@H]1CCC[NH2+]CC1 ZINC000082666843 411152323 /nfs/dbraw/zinc/15/23/23/411152323.db2.gz IEBSYWKUGUYTKF-LBPRGKRZSA-N 1 0 222.336 0.994 10 0 BCAERO CC1(C)C[NH2+][C@@H]1C(=O)N[C@@H]1CCCOC1 ZINC000309514842 411157843 /nfs/dbraw/zinc/15/78/43/411157843.db2.gz RAAIWRZXDNFZJO-RKDXNWHRSA-N 1 0 212.293 0.280 10 0 BCAERO [NH3+]CCCCC(=O)N[C@@H]1CCC[C@H](O)C1 ZINC000069733224 411158296 /nfs/dbraw/zinc/15/82/96/411158296.db2.gz XKMODSFXNFETEF-ZJUUUORDSA-N 1 0 214.309 0.535 10 0 BCAERO C[C@@H](NC(=O)CCCC[NH3+])[C@@H]1CCCO1 ZINC000069733056 411159078 /nfs/dbraw/zinc/15/90/78/411159078.db2.gz MAGCBYJTAQTPCZ-ZJUUUORDSA-N 1 0 214.309 0.799 10 0 BCAERO Cc1ccc(CN2CCO[C@@H]3C[NH2+]C[C@@H]32)cn1 ZINC000655940284 411160435 /nfs/dbraw/zinc/16/04/35/411160435.db2.gz QGDIUGMLHYMFIL-QWHCGFSZSA-N 1 0 233.315 0.563 10 0 BCAERO CCC[C@@H]1C[C@@H]1[NH2+]C[C@H](O)CN1CCOCC1 ZINC000300577201 411123658 /nfs/dbraw/zinc/12/36/58/411123658.db2.gz DRBWETBCHHSXFK-AGIUHOORSA-N 1 0 242.363 0.458 10 0 BCAERO NC(=O)[C@]1(O)CCC[N@H+](CCCC2CCC2)C1 ZINC000660520849 411162655 /nfs/dbraw/zinc/16/26/55/411162655.db2.gz HZSXSBGEIMMREO-ZDUSSCGKSA-N 1 0 240.347 0.879 10 0 BCAERO CCNC(=O)CN(C)C(=O)CC[C@H]1CCC[NH2+]1 ZINC000310590925 411242469 /nfs/dbraw/zinc/24/24/69/411242469.db2.gz ZEECZDYBJBNQAO-SNVBAGLBSA-N 1 0 241.335 0.113 10 0 BCAERO Cn1ncnc1NC(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000310590418 411242610 /nfs/dbraw/zinc/24/26/10/411242610.db2.gz CBFGGXFPKIBCRH-SNVBAGLBSA-N 1 0 245.286 0.324 10 0 BCAERO COCC1(CC(=O)NC[C@H]2CC[NH2+]C2)CC1 ZINC000401261295 411186568 /nfs/dbraw/zinc/18/65/68/411186568.db2.gz QZHSNTFLTAZOSO-JTQLQIEISA-N 1 0 226.320 0.529 10 0 BCAERO O=S1CCC(NC2=[NH+]CCS2)CC1 ZINC000229252357 411190011 /nfs/dbraw/zinc/19/00/11/411190011.db2.gz CWUNEMQLSBVGKB-UHFFFAOYSA-N 1 0 218.347 0.590 10 0 BCAERO Cc1nnc2c(N[C@@H]3C[NH2+]CC[C@H]3C)nccn12 ZINC000389725804 411190489 /nfs/dbraw/zinc/19/04/89/411190489.db2.gz KSRNDJDVDYBFDM-PSASIEDQSA-N 1 0 246.318 0.843 10 0 BCAERO C[C@@H]1C[C@H](NC(=O)C2CCC([NH3+])CC2)CO1 ZINC000402037201 411192524 /nfs/dbraw/zinc/19/25/24/411192524.db2.gz GZWMSOUHHGBYSY-SFXRXQKFSA-N 1 0 226.320 0.798 10 0 BCAERO CC[C@H]1COCCN1C(=O)C[C@H]([NH3+])C(C)C ZINC000128942020 411193077 /nfs/dbraw/zinc/19/30/77/411193077.db2.gz HUEJJSUXEDQHSA-QWRGUYRKSA-N 1 0 228.336 0.997 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)N1CCOCC1 ZINC000128843707 411244543 /nfs/dbraw/zinc/24/45/43/411244543.db2.gz OXRAXBPEUDVDSA-SECBINFHSA-N 1 0 200.282 0.219 10 0 BCAERO Cc1cc(CNC(=O)C[C@H]([NH3+])C(C)C)on1 ZINC000129020033 411202296 /nfs/dbraw/zinc/20/22/96/411202296.db2.gz YWNYUFOEXNNHAC-JTQLQIEISA-N 1 0 225.292 0.973 10 0 BCAERO CC(C)[C@@H]([NH3+])CC(=O)Nc1ccnn1C ZINC000129014502 411202721 /nfs/dbraw/zinc/20/27/21/411202721.db2.gz ZNAYKJNKRJEXHF-QMMMGPOBSA-N 1 0 210.281 0.732 10 0 BCAERO COCCCN(C)C(=O)C[C@@H]([NH3+])C(C)C ZINC000129051036 411216953 /nfs/dbraw/zinc/21/69/53/411216953.db2.gz SCTJFAKRLOGXQG-SNVBAGLBSA-N 1 0 216.325 0.855 10 0 BCAERO CCn1cc([C@@H](C)[NH2+][C@@H]2CCNC2=O)cn1 ZINC000658053734 411220734 /nfs/dbraw/zinc/22/07/34/411220734.db2.gz MUVSOPAQPSORKS-PSASIEDQSA-N 1 0 222.292 0.442 10 0 BCAERO C[C@@H]1C[C@H](NC(=O)CC[C@H]2CCC[NH2+]2)CO1 ZINC000402380712 411221539 /nfs/dbraw/zinc/22/15/39/411221539.db2.gz MKOWFUIUTLGHGL-MXWKQRLJSA-N 1 0 226.320 0.812 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N(C)Cc1cn[nH]c1 ZINC000069763568 411224496 /nfs/dbraw/zinc/22/44/96/411224496.db2.gz RGNGGDRLNFGFCD-PSASIEDQSA-N 1 0 222.292 0.224 10 0 BCAERO CC(C)[C@@H]([NH3+])CC(=O)N[C@H](C)CCCO ZINC000129139690 411232344 /nfs/dbraw/zinc/23/23/44/411232344.db2.gz DGXRMVVHTYVNFI-ZJUUUORDSA-N 1 0 216.325 0.637 10 0 BCAERO CC[C@@H](CCO)CNC(=O)C[C@H]([NH3+])C(C)C ZINC000129139922 411233007 /nfs/dbraw/zinc/23/30/07/411233007.db2.gz CVGLIPOIYYYFQW-QWRGUYRKSA-N 1 0 230.352 0.885 10 0 BCAERO CC[N@H+](C)C[C@@H](O)CN[C@H](C)c1ncc(C)o1 ZINC000310335568 411234023 /nfs/dbraw/zinc/23/40/23/411234023.db2.gz CNYYBZJRMVWJKB-MNOVXSKESA-N 1 0 241.335 0.946 10 0 BCAERO Cc1nccn1CCNC(=O)C[C@@H]([NH3+])C(C)C ZINC000310398435 411234663 /nfs/dbraw/zinc/23/46/63/411234663.db2.gz IJOPZRFTWXFBDJ-LLVKDONJSA-N 1 0 238.335 0.681 10 0 BCAERO C[C@@H](O)[C@@H]1CCC[N@@H+]([C@@H]2CCC[C@H]2O)C1 ZINC000660116690 411237335 /nfs/dbraw/zinc/23/73/35/411237335.db2.gz JRNFNHKVQHIRQJ-DDHJBXDOSA-N 1 0 213.321 0.993 10 0 BCAERO Nc1cc([C@@H]2COCCN(CC[NH3+])C2)ccn1 ZINC000616597987 411287142 /nfs/dbraw/zinc/28/71/42/411287142.db2.gz MQZKNJRGUNNSOM-NSHDSACASA-N 1 0 236.319 0.038 10 0 BCAERO Nc1cc([C@@H]2CCCN(CC[NH3+])C2)ccn1 ZINC000616621773 411287237 /nfs/dbraw/zinc/28/72/37/411287237.db2.gz YJVZPUOZIGWUKO-LLVKDONJSA-N 1 0 220.320 0.802 10 0 BCAERO Nc1ccc([C@@H]2COCCCN2CC[NH3+])cn1 ZINC000616646605 411287258 /nfs/dbraw/zinc/28/72/58/411287258.db2.gz YYZQLUBPAOUGKE-NSHDSACASA-N 1 0 236.319 0.386 10 0 BCAERO Nc1cc([C@H]2CCOCCN2CC[NH3+])ccn1 ZINC000616658532 411287514 /nfs/dbraw/zinc/28/75/14/411287514.db2.gz UVSQJCTXLPQZNC-LLVKDONJSA-N 1 0 236.319 0.386 10 0 BCAERO Cc1nnsc1C(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000129468796 411288996 /nfs/dbraw/zinc/28/89/96/411288996.db2.gz CVQDSLOFJRMLJM-POYBYMJQSA-N 1 0 240.332 0.717 10 0 BCAERO CCc1cc(C(=O)N2CC[C@@H]([NH3+])[C@H]2C)n(C)n1 ZINC000383515553 411292406 /nfs/dbraw/zinc/29/24/06/411292406.db2.gz MGFBUKMTKYSKGH-PSASIEDQSA-N 1 0 236.319 0.544 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)N1CCSCC1 ZINC000128884893 411293756 /nfs/dbraw/zinc/29/37/56/411293756.db2.gz OTBQUPNIMLPEAH-SECBINFHSA-N 1 0 216.350 0.935 10 0 BCAERO C[C@H]([NH2+]C[C@H]1CC(=O)N(C)C1)[C@@H]1CCCO1 ZINC000658239294 411308348 /nfs/dbraw/zinc/30/83/48/411308348.db2.gz MBURXOKBEIXFBC-AXFHLTTASA-N 1 0 226.320 0.622 10 0 BCAERO NC(=O)c1ccc(NCC2([NH3+])CCCC2)nn1 ZINC000656610363 411308877 /nfs/dbraw/zinc/30/88/77/411308877.db2.gz AYWHCCBJNODALK-UHFFFAOYSA-N 1 0 235.291 0.259 10 0 BCAERO Cn1ccnc(NCC2([NH3+])CCCC2)c1=O ZINC000656610204 411308903 /nfs/dbraw/zinc/30/89/03/411308903.db2.gz MUDCUAZMMREAKV-UHFFFAOYSA-N 1 0 222.292 0.464 10 0 BCAERO [NH3+]C1(CNc2nccn3cnnc23)CCCC1 ZINC000656611046 411310312 /nfs/dbraw/zinc/31/03/12/411310312.db2.gz ZHCGXUILEUWFBU-UHFFFAOYSA-N 1 0 232.291 0.808 10 0 BCAERO C[N@H+](C[C@@H]1CCC[C@@H]1O)[C@@H]1CCC[C@H]1O ZINC000656698076 411323071 /nfs/dbraw/zinc/32/30/71/411323071.db2.gz OTXRDRCVVCOBHA-WHOHXGKFSA-N 1 0 213.321 0.993 10 0 BCAERO OC[C@@H]1C[NH+](C[C@H]2CCC[C@H](O)C2)CCO1 ZINC000309810394 411252750 /nfs/dbraw/zinc/25/27/50/411252750.db2.gz YVBBXTCWJODTLM-SRVKXCTJSA-N 1 0 229.320 0.231 10 0 BCAERO O=C1NCCC[C@H]1[NH2+][C@H]1COC2(CCC2)C1 ZINC000656684136 411326539 /nfs/dbraw/zinc/32/65/39/411326539.db2.gz URFFDBOOWYUNAF-NXEZZACHSA-N 1 0 224.304 0.566 10 0 BCAERO CCC(CC)NC(=O)[C@H](C)n1cc(C[NH3+])nn1 ZINC000050224679 411254159 /nfs/dbraw/zinc/25/41/59/411254159.db2.gz LRCPZSVNYKATRK-QMMMGPOBSA-N 1 0 239.323 0.603 10 0 BCAERO CC(C)CCOCCn1cc(C[NH3+])nn1 ZINC000050224669 411254261 /nfs/dbraw/zinc/25/42/61/411254261.db2.gz SPNPTHSMVNNCSB-UHFFFAOYSA-N 1 0 212.297 0.800 10 0 BCAERO C[C@H](C(=O)NC1CCCC1)n1cc(C[NH3+])nn1 ZINC000050224641 411254271 /nfs/dbraw/zinc/25/42/71/411254271.db2.gz IXHFUAHMWIUVAF-MRVPVSSYSA-N 1 0 237.307 0.357 10 0 BCAERO C[C@H](C(=O)N1CCCCC1)n1cc(C[NH3+])nn1 ZINC000050224689 411254495 /nfs/dbraw/zinc/25/44/95/411254495.db2.gz PJTOFWFLERULDK-SECBINFHSA-N 1 0 237.307 0.310 10 0 BCAERO CCCCCNC(=O)[C@H](C)n1cc(C[NH3+])nn1 ZINC000050224659 411254604 /nfs/dbraw/zinc/25/46/04/411254604.db2.gz AZFGGXYZCMZLOU-VIFPVBQESA-N 1 0 239.323 0.604 10 0 BCAERO CC(C)CNC(=O)[C@@H](C)n1cc(C[NH3+])nn1 ZINC000050224634 411254997 /nfs/dbraw/zinc/25/49/97/411254997.db2.gz AECHAAPQMXSHMA-MRVPVSSYSA-N 1 0 225.296 0.070 10 0 BCAERO Cc1noc(CC[NH2+]C[C@H](O)C(C)(C)C)n1 ZINC000304207302 411354357 /nfs/dbraw/zinc/35/43/57/411354357.db2.gz DFGAXZUEANQWIH-VIFPVBQESA-N 1 0 227.308 0.917 10 0 BCAERO CC1(C)COCCN1C(=O)[C@H]1CCC[NH2+]C1 ZINC000042462978 167969472 /nfs/dbraw/zinc/96/94/72/167969472.db2.gz QKZLIPPFMRSQCN-JTQLQIEISA-N 1 0 226.320 0.623 10 0 BCAERO CC[C@@H]1CN(C(=O)[C@@H]2CC[NH2+]C2)[C@H](C)CO1 ZINC000403963772 411370123 /nfs/dbraw/zinc/37/01/23/411370123.db2.gz SHXIASIEYQBLNO-GMTAPVOTSA-N 1 0 226.320 0.622 10 0 BCAERO C[NH+](C)[C@@H]1CCN(Cc2cccnc2N)C1 ZINC000062969389 411334213 /nfs/dbraw/zinc/33/42/13/411334213.db2.gz OKNQLLTZNGVFDR-LLVKDONJSA-N 1 0 220.320 0.800 10 0 BCAERO CC1(NC(=O)[C@H]2C[C@H](O)C[NH2+]2)CCCCC1 ZINC000045046983 168059375 /nfs/dbraw/zinc/05/93/75/168059375.db2.gz HZHDADJKWPKRHZ-VHSXEESVSA-N 1 0 226.320 0.548 10 0 BCAERO CC1([NH2+]CC(=O)N2CCOCC2)CCCC1 ZINC000042187399 168062211 /nfs/dbraw/zinc/06/22/11/168062211.db2.gz OJQSJVKCTSHYJK-UHFFFAOYSA-N 1 0 226.320 0.768 10 0 BCAERO CC1=CC(=O)N([C@@H]2CCCC[C@H]2[NH3+])C1=O ZINC000041054494 168092517 /nfs/dbraw/zinc/09/25/17/168092517.db2.gz HEPBKYHZCDMJEC-RKDXNWHRSA-N 1 0 208.261 0.571 10 0 BCAERO CC(C)([NH3+])c1cn([C@H]2CCCC[C@@H]2O)nn1 ZINC000069680201 411380105 /nfs/dbraw/zinc/38/01/05/411380105.db2.gz SRBGHCBNPGPSEA-IUCAKERBSA-N 1 0 224.308 0.948 10 0 BCAERO CC(C)([NH3+])c1cn([C@H]2CCC[C@@H]2O)nn1 ZINC000069679444 411381057 /nfs/dbraw/zinc/38/10/57/411381057.db2.gz WSTKSWKDYVUPCS-YUMQZZPRSA-N 1 0 210.281 0.558 10 0 BCAERO CC1=NS(=O)(=O)c2ccc(C[NH3+])cc2N1 ZINC000005138625 168137943 /nfs/dbraw/zinc/13/79/43/168137943.db2.gz LBSXFXZKPFLDPO-UHFFFAOYSA-N 1 0 225.273 0.678 10 0 BCAERO CC1CC[NH+]([C@H](CC[NH3+])C(=O)[O-])CC1 ZINC000077296885 168185887 /nfs/dbraw/zinc/18/58/87/168185887.db2.gz SJTXMXYNNJKIIT-SECBINFHSA-N 1 0 200.282 0.520 10 0 BCAERO CCC(C)(C)NC(=O)C[NH2+][C@@H](C)C(=O)N(C)C ZINC000049281883 168290815 /nfs/dbraw/zinc/29/08/15/168290815.db2.gz XOBGOMCMPKNZQT-VIFPVBQESA-N 1 0 243.351 0.358 10 0 BCAERO CCC(C)(C)NC(=O)[C@@H](C)n1cc(C[NH3+])nn1 ZINC000050224684 168293534 /nfs/dbraw/zinc/29/35/34/168293534.db2.gz KBRWLIXQDCGNJW-MRVPVSSYSA-N 1 0 239.323 0.603 10 0 BCAERO CCC(C)(C)NC(=O)[C@@H]1C[C@@H](OC)C[NH2+]1 ZINC000040629329 168295148 /nfs/dbraw/zinc/29/51/48/168295148.db2.gz PBKRZAZDOHHWBC-BDAKNGLRSA-N 1 0 214.309 0.668 10 0 BCAERO CCC(C)(C)NC(=O)[C@@H]1C[C@H](OC)C[NH2+]1 ZINC000040629323 168295300 /nfs/dbraw/zinc/29/53/00/168295300.db2.gz PBKRZAZDOHHWBC-IUCAKERBSA-N 1 0 214.309 0.668 10 0 BCAERO CCC(C)(C)OCC(=O)N1CC[NH2+]CC1 ZINC000020516136 168303444 /nfs/dbraw/zinc/30/34/44/168303444.db2.gz QDASJGSSCBOBSI-UHFFFAOYSA-N 1 0 214.309 0.623 10 0 BCAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC000659315595 411392972 /nfs/dbraw/zinc/39/29/72/411392972.db2.gz SAWILUNTVPOHGR-UVOCVTCTSA-N 1 0 208.305 0.981 10 0 BCAERO COCC1(N(C)C(=O)[C@@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000659338922 411398421 /nfs/dbraw/zinc/39/84/21/411398421.db2.gz SIIHHEDZAKSOJQ-NXEZZACHSA-N 1 0 226.320 0.751 10 0 BCAERO C[C@@H](NC(=O)[C@H]1CC[NH2+]C1)c1cscn1 ZINC000659343097 411400171 /nfs/dbraw/zinc/40/01/71/411400171.db2.gz UOVDZSUUBZBMFO-SFYZADRCSA-N 1 0 225.317 0.930 10 0 BCAERO O=C(NCCO[C@H]1CC1(F)F)[C@@H]1CC[NH2+]C1 ZINC000659345625 411400765 /nfs/dbraw/zinc/40/07/65/411400765.db2.gz LZRJEGYOUIYAMN-SFYZADRCSA-N 1 0 234.246 0.136 10 0 BCAERO C[C@H]1CCC[C@@H](CNC(=O)[C@@H]2CC[NH2+]C2)O1 ZINC000659360075 411402742 /nfs/dbraw/zinc/40/27/42/411402742.db2.gz ADZHZUZSPQIVIW-AXFHLTTASA-N 1 0 226.320 0.670 10 0 BCAERO CO[C@H]1C[NH2+][C@@H](C(=O)NCCc2ccoc2)C1 ZINC000659360368 411402914 /nfs/dbraw/zinc/40/29/14/411402914.db2.gz HSMFCAWCGPXTFS-GHMZBOCLSA-N 1 0 238.287 0.315 10 0 BCAERO C[NH2+][C@H](C)C(=O)NC[C@]1(C)CC1(F)F ZINC000659361715 411403454 /nfs/dbraw/zinc/40/34/54/411403454.db2.gz MPEWEQIBNMMSAP-SVRRBLITSA-N 1 0 206.236 0.756 10 0 BCAERO C[NH2+][C@H](C)C(=O)NC[C@@H]1CCC[C@@H](C)O1 ZINC000659363010 411403936 /nfs/dbraw/zinc/40/39/36/411403936.db2.gz ZBKYBBZMSVAKIB-BBBLOLIVSA-N 1 0 214.309 0.668 10 0 BCAERO CO[C@H]1C[NH2+][C@@H](C(=O)NCC2=CCCC2)C1 ZINC000659379859 411406883 /nfs/dbraw/zinc/40/68/83/411406883.db2.gz RCFFHFCQGXXOJP-GHMZBOCLSA-N 1 0 224.304 0.590 10 0 BCAERO CO[C@@H](CNC(=O)[C@@H]1CC[NH2+]C1)C1CCCC1 ZINC000659384853 411408842 /nfs/dbraw/zinc/40/88/42/411408842.db2.gz ZNWOSMYXSKNENK-NEPJUHHUSA-N 1 0 240.347 0.917 10 0 BCAERO CO[C@H](CNC(=O)[C@H]1CC[NH2+]C1)C1CCCC1 ZINC000659384855 411409191 /nfs/dbraw/zinc/40/91/91/411409191.db2.gz ZNWOSMYXSKNENK-NWDGAFQWSA-N 1 0 240.347 0.917 10 0 BCAERO C[NH2+][C@H](C)C(=O)NC[C@@H](OC)C1CCCC1 ZINC000659383813 411409397 /nfs/dbraw/zinc/40/93/97/411409397.db2.gz WASGZQMGNMCVQT-MWLCHTKSSA-N 1 0 228.336 0.916 10 0 BCAERO CCOC(=O)N1CCCOC[C@@H]1CC[NH3+] ZINC000616648286 411410794 /nfs/dbraw/zinc/41/07/94/411410794.db2.gz SMNBZTPNTDHWRP-VIFPVBQESA-N 1 0 216.281 0.583 10 0 BCAERO CC[N@@H+]1CCCO[C@H](c2c[nH]nc2N)C1 ZINC000616650326 411410853 /nfs/dbraw/zinc/41/08/53/411410853.db2.gz WYSQLDWGEORAIV-VIFPVBQESA-N 1 0 210.281 0.775 10 0 BCAERO [NH3+]CCN1C[C@H](c2cn[nH]n2)Nc2ccccc21 ZINC000616683822 411414823 /nfs/dbraw/zinc/41/48/23/411414823.db2.gz ITRJDFDGFUOOAU-LLVKDONJSA-N 1 0 244.302 0.737 10 0 BCAERO C[C@@H](O)CCNC(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000647922217 411433354 /nfs/dbraw/zinc/43/33/54/411433354.db2.gz AEMLIIRSCYIQMZ-SFYZADRCSA-N 1 0 236.262 0.118 10 0 BCAERO [NH3+][C@@H]1CC=C(C(=O)N[C@@H]2CCC[C@@H](O)C2)C1 ZINC000637929386 411447411 /nfs/dbraw/zinc/44/74/11/411447411.db2.gz YIOQMSVMGSFOGC-GMTAPVOTSA-N 1 0 224.304 0.454 10 0 BCAERO O=C(C[C@@H]1CCC[NH2+]C1)N[C@H]1CCCOC1 ZINC000071023753 411450536 /nfs/dbraw/zinc/45/05/36/411450536.db2.gz PEHLETKILSBKLV-QWRGUYRKSA-N 1 0 226.320 0.671 10 0 BCAERO C[C@@H]1OCC[C@@H]1NC(=O)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000407319194 411478699 /nfs/dbraw/zinc/47/86/99/411478699.db2.gz ITOYRWUSAJFMPN-OHBODLIOSA-N 1 0 238.331 0.811 10 0 BCAERO CCN([C@H]1CC[NH2+]C1)S(=O)(=O)C(F)F ZINC000037469670 169940976 /nfs/dbraw/zinc/94/09/76/169940976.db2.gz YZYJTIGFZQBJQL-LURJTMIESA-N 1 0 228.264 0.223 10 0 BCAERO C[C@@H](O)CC[NH2+]C[C@H](O)CC(F)(F)F ZINC000307949847 411490168 /nfs/dbraw/zinc/49/01/68/411490168.db2.gz QYSUGGIJJOIOFU-RNFRBKRXSA-N 1 0 215.215 0.660 10 0 BCAERO CCN1C(=O)N[C@](C)([C@H]2CCC[NH2+]C2)C1=O ZINC000095218397 169948140 /nfs/dbraw/zinc/94/81/40/169948140.db2.gz YTIDCJLGUMDVAB-GZMMTYOYSA-N 1 0 225.292 0.316 10 0 BCAERO C[NH2+][C@H](C)CNC(=O)C1(C)CCOCC1 ZINC000309482935 411499115 /nfs/dbraw/zinc/49/91/15/411499115.db2.gz FEBMWWRAQDTJJE-SECBINFHSA-N 1 0 214.309 0.527 10 0 BCAERO CC[N@@H+]1CCC[C@H](Nc2nnc(C)o2)C1 ZINC000336750595 411511065 /nfs/dbraw/zinc/51/10/65/411511065.db2.gz FDZHWFNANCWYRT-VIFPVBQESA-N 1 0 210.281 1.274 10 0 BCAERO C[C@@H]1CN(C(=O)[C@H]2CCCS2)C[C@@H]1C[NH3+] ZINC000638916546 411514191 /nfs/dbraw/zinc/51/41/91/411514191.db2.gz SJVZRZCXFAPQLT-KXUCPTDWSA-N 1 0 228.361 0.935 10 0 BCAERO CCN1CCN(C(=O)C[C@@H](C)C[NH3+])CC1 ZINC000076608146 169982920 /nfs/dbraw/zinc/98/29/20/169982920.db2.gz SGYWIDCLTHIVHB-SNVBAGLBSA-N 1 0 213.325 0.135 10 0 BCAERO CCN1CC[C@@H]([NH2+]Cc2c[nH]nc2C)C1 ZINC000328252111 170011408 /nfs/dbraw/zinc/01/14/08/170011408.db2.gz KVOJQFNBZOMMRD-LLVKDONJSA-N 1 0 208.309 0.902 10 0 BCAERO CCN1CC[C@H]([NH2+]Cc2cnn(C)c2C)C1 ZINC000328190825 170020166 /nfs/dbraw/zinc/02/01/66/170020166.db2.gz PJULMCDDTNQMOS-LBPRGKRZSA-N 1 0 222.336 0.912 10 0 BCAERO CCN1C[C@H](C)[C@H]([NH2+]Cc2ccnn2C)C1 ZINC000309441450 170038049 /nfs/dbraw/zinc/03/80/49/170038049.db2.gz IQOXYDRCGMGGMX-CMPLNLGQSA-N 1 0 222.336 0.850 10 0 BCAERO CCNC(=O)C(C)(C)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000182664266 170043426 /nfs/dbraw/zinc/04/34/26/170043426.db2.gz JTTUPSFGORPJSU-SECBINFHSA-N 1 0 241.335 0.017 10 0 BCAERO CCNC(=O)CN(C)[C@@H]1C[C@H](C)CC[C@@H]1C[NH3+] ZINC000049726158 170054947 /nfs/dbraw/zinc/05/49/47/170054947.db2.gz LCZKVAXFMZMPFS-IJLUTSLNSA-N 1 0 241.379 0.818 10 0 BCAERO CCNC(=O)CN(CC)C(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000091545454 170056499 /nfs/dbraw/zinc/05/64/99/170056499.db2.gz OLXJPTNKPSXZMI-ZJUUUORDSA-N 1 0 241.335 0.098 10 0 BCAERO CCNC(=O)CN(CC)c1ncccc1C[NH3+] ZINC000042367105 170058601 /nfs/dbraw/zinc/05/86/01/170058601.db2.gz ZYKXPSRDGXAUFZ-UHFFFAOYSA-N 1 0 236.319 0.503 10 0 BCAERO CCNC(=O)CNC(=O)[C@@H]1CC[C@@H](C)[C@H]([NH3+])C1 ZINC000055125746 170062917 /nfs/dbraw/zinc/06/29/17/170062917.db2.gz HBLWAMWMTHURFL-OPRDCNLKSA-N 1 0 241.335 0.002 10 0 BCAERO CCNC(=O)CNC(=O)[C@H]1CCC[C@@H]([NH3+])[C@@H]1C ZINC000055125764 170063603 /nfs/dbraw/zinc/06/36/03/170063603.db2.gz OEMJFDPBTZFUSR-KXUCPTDWSA-N 1 0 241.335 0.002 10 0 BCAERO CCNC(=O)CN[C@@H](C)[C@@H]1CCC[N@H+](CC)C1 ZINC000036780314 170064499 /nfs/dbraw/zinc/06/44/99/170064499.db2.gz WRHHPGNSXYPULV-NWDGAFQWSA-N 1 0 241.379 0.833 10 0 BCAERO CCNC(=O)CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000036780393 170065106 /nfs/dbraw/zinc/06/51/06/170065106.db2.gz DKHKXOYPQKDAOR-FGWVZKOKSA-N 1 0 225.336 0.337 10 0 BCAERO CCNC(=O)C[NH2+]C1CCC2(CC1)OCCO2 ZINC000036780419 170065151 /nfs/dbraw/zinc/06/51/51/170065151.db2.gz YZOYMZAKKCFWLK-UHFFFAOYSA-N 1 0 242.319 0.398 10 0 BCAERO CCNC(=O)COc1ccc(CC[NH3+])cc1 ZINC000022141528 170067438 /nfs/dbraw/zinc/06/74/38/170067438.db2.gz OGULTISTSKIODX-UHFFFAOYSA-N 1 0 222.288 0.703 10 0 BCAERO CCNC(=O)[C@@H](C)NC(=O)C[C@H]1CCCC[NH2+]1 ZINC000049225279 170086323 /nfs/dbraw/zinc/08/63/23/170086323.db2.gz RCBUPIWZXFCDKX-NXEZZACHSA-N 1 0 241.335 0.159 10 0 BCAERO CCNC(=O)[C@@H](C)NC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000136146081 170087349 /nfs/dbraw/zinc/08/73/49/170087349.db2.gz LWBMPJRESMSQMN-BXKDBHETSA-N 1 0 241.335 0.159 10 0 BCAERO CCNC(=O)[C@@H](C)OC1CCC([NH3+])CC1 ZINC000055142889 170089826 /nfs/dbraw/zinc/08/98/26/170089826.db2.gz AVJNAXLNDXLFKS-XNWIYYODSA-N 1 0 214.309 0.798 10 0 BCAERO CCNC(=O)[C@@H](C)O[C@H]1CCC[NH2+]C1 ZINC000020422767 170089922 /nfs/dbraw/zinc/08/99/22/170089922.db2.gz PASJTPWLZVAAAK-BDAKNGLRSA-N 1 0 200.282 0.280 10 0 BCAERO CCNC(=O)[C@H](C)NC(=O)C[C@H]1CCCC[NH2+]1 ZINC000049225282 170093655 /nfs/dbraw/zinc/09/36/55/170093655.db2.gz RCBUPIWZXFCDKX-VHSXEESVSA-N 1 0 241.335 0.159 10 0 BCAERO CCNC(=O)[C@H](C)Nc1cc[nH+]cc1N ZINC000049193422 170097015 /nfs/dbraw/zinc/09/70/15/170097015.db2.gz NIEYHNIFNUJBRR-ZETCQYMHSA-N 1 0 208.265 0.600 10 0 BCAERO CCNC(=O)c1cc(N2CC[C@@H](C[NH3+])C2)ccn1 ZINC000050249571 170099853 /nfs/dbraw/zinc/09/98/53/170099853.db2.gz UAJYTOOUYPTXIM-JTQLQIEISA-N 1 0 248.330 0.616 10 0 BCAERO CCNC(=O)c1cc(N(CC)CC[NH3+])ccn1 ZINC000104305282 170100006 /nfs/dbraw/zinc/10/00/06/170100006.db2.gz FXVNSFQGKREVNQ-UHFFFAOYSA-N 1 0 236.319 0.616 10 0 BCAERO CCNC(=O)c1cc(N(C)CCC[NH3+])ccn1 ZINC000035673858 170100388 /nfs/dbraw/zinc/10/03/88/170100388.db2.gz LTNZIBUFIZBJQT-UHFFFAOYSA-N 1 0 236.319 0.616 10 0 BCAERO CCNC(=O)c1cc(N[C@@H]2C[C@H]2[NH3+])ccn1 ZINC000036267868 170101205 /nfs/dbraw/zinc/10/12/05/170101205.db2.gz OWLCUQMGCYEZIQ-RKDXNWHRSA-N 1 0 220.276 0.343 10 0 BCAERO CC[NH2+]C(C)(C)C(=O)N(C)Cc1nccn1C ZINC000061296419 170106093 /nfs/dbraw/zinc/10/60/93/170106093.db2.gz AOJLFYKNCHZRHL-UHFFFAOYSA-N 1 0 238.335 0.767 10 0 BCAERO CC[NH2+]C(C)(C)c1nnc2cnccn21 ZINC000061151285 170107046 /nfs/dbraw/zinc/10/70/46/170107046.db2.gz YFEDPNPDQMNFOU-UHFFFAOYSA-N 1 0 205.265 0.969 10 0 BCAERO CC[NH2+]C(C)(C)C(=O)N[C@H]1CCC[C@H](O)C1 ZINC000061289993 170107185 /nfs/dbraw/zinc/10/71/85/170107185.db2.gz LTUVQRZZHIBSOJ-UWVGGRQHSA-N 1 0 228.336 0.794 10 0 BCAERO CC[NH2+]C(C)(C)C(=O)N[C@@H]1CCC[C@H](O)C1 ZINC000061289991 170107750 /nfs/dbraw/zinc/10/77/50/170107750.db2.gz LTUVQRZZHIBSOJ-ZJUUUORDSA-N 1 0 228.336 0.794 10 0 BCAERO CC[NH2+]C(C)(C)c1nc(-c2nc[nH]n2)no1 ZINC000061151346 170107768 /nfs/dbraw/zinc/10/77/68/170107768.db2.gz ZMXIVOBYAOOCFK-UHFFFAOYSA-N 1 0 222.252 0.699 10 0 BCAERO CC[NH2+]CC(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000044650356 170109261 /nfs/dbraw/zinc/10/92/61/170109261.db2.gz MIALZSYGXKFITM-MNOVXSKESA-N 1 0 226.320 0.766 10 0 BCAERO CC[NH2+]C1C[C@H]2CC[C@@H](C1)N2CC(N)=O ZINC000054627028 170109363 /nfs/dbraw/zinc/10/93/63/170109363.db2.gz PITUQFVQKOFSIV-PBINXNQUSA-N 1 0 211.309 0.077 10 0 BCAERO CC[NH2+]C1CCN([C@H](C)C(=O)NC(C)C)CC1 ZINC000037536997 170109734 /nfs/dbraw/zinc/10/97/34/170109734.db2.gz YCGLLUPPJIXGNN-LLVKDONJSA-N 1 0 241.379 0.973 10 0 BCAERO CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2CC(=O)NC ZINC000054601949 170109914 /nfs/dbraw/zinc/10/99/14/170109914.db2.gz SDLFBQALGQVNQD-YOGCLGLASA-N 1 0 239.363 0.727 10 0 BCAERO CC[NH2+]CCC(=O)N1CCCOCC1 ZINC000061920453 170111502 /nfs/dbraw/zinc/11/15/02/170111502.db2.gz JUCYONZMENPYHG-UHFFFAOYSA-N 1 0 200.282 0.235 10 0 BCAERO CC[NH2+]CCC(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000061278527 170111555 /nfs/dbraw/zinc/11/15/55/170111555.db2.gz AALLJAFDHZBVML-AOOOYVTPSA-N 1 0 214.309 0.622 10 0 BCAERO CC[NH2+]CCC(=O)N1CCOC(C)(C)C1 ZINC000061289725 170111739 /nfs/dbraw/zinc/11/17/39/170111739.db2.gz IWTOLKYDZWEAQT-UHFFFAOYSA-N 1 0 214.309 0.623 10 0 BCAERO CC[NH2+]CCC(=O)N1C[C@@H](C)OC[C@@H]1C ZINC000061289300 170112101 /nfs/dbraw/zinc/11/21/01/170112101.db2.gz LFFOGJDFVOIKDK-VHSXEESVSA-N 1 0 214.309 0.622 10 0 BCAERO CC[NH2+]CCC(=O)N1CCc2ncccc2C1 ZINC000061293207 170112145 /nfs/dbraw/zinc/11/21/45/170112145.db2.gz XPQOLRYINKSXDX-UHFFFAOYSA-N 1 0 233.315 0.966 10 0 BCAERO CC[NH2+]CCCNc1ccnc(C(N)=O)c1 ZINC000038043423 170113062 /nfs/dbraw/zinc/11/30/62/170113062.db2.gz LRHMIHHRXTYNRU-UHFFFAOYSA-N 1 0 222.292 0.592 10 0 BCAERO CC[NH2+]CCNc1cc(C)nc2ncnn21 ZINC000054267276 170116651 /nfs/dbraw/zinc/11/66/51/170116651.db2.gz OHJIHHCCQCNTLN-UHFFFAOYSA-N 1 0 220.280 0.454 10 0 BCAERO CC[NH2+]CCNc1ncnc2nc[nH]c21 ZINC000052345190 170116836 /nfs/dbraw/zinc/11/68/36/170116836.db2.gz GVXIBWUCMHJWNM-UHFFFAOYSA-N 1 0 206.253 0.374 10 0 BCAERO CC[NH2+]C[C@@H](O)CN(CC)Cc1ccncc1 ZINC000042515612 170118729 /nfs/dbraw/zinc/11/87/29/170118729.db2.gz CEWCDIAAEUIIDG-CYBMUJFWSA-N 1 0 237.347 0.874 10 0 BCAERO CC[NH2+]C[C@@H](C)C(=O)NCCc1cccnc1 ZINC000061234323 170119241 /nfs/dbraw/zinc/11/92/41/170119241.db2.gz VAIJWWFOYVOICU-LLVKDONJSA-N 1 0 235.331 0.986 10 0 BCAERO CC[NH2+]C[C@@]1(CN2CCCOCC2)CCOC1 ZINC000061934524 170120680 /nfs/dbraw/zinc/12/06/80/170120680.db2.gz FOPGTECCZYWDMT-CYBMUJFWSA-N 1 0 242.363 0.725 10 0 BCAERO CC[NH2+]C[C@H](C)C(=O)N1CCCO[C@H](C)C1 ZINC000061920449 170121495 /nfs/dbraw/zinc/12/14/95/170121495.db2.gz NOYMRRVIMCZUQG-WDEREUQCSA-N 1 0 228.336 0.869 10 0 BCAERO CC[NH2+]C[C@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000037871990 170122770 /nfs/dbraw/zinc/12/27/70/170122770.db2.gz OOFOIMKJVDRYED-NSHDSACASA-N 1 0 243.328 0.733 10 0 BCAERO CC[NH2+][C@@H](C(N)=O)c1ccc(OC)c(OC)c1 ZINC000037869644 170138358 /nfs/dbraw/zinc/13/83/58/170138358.db2.gz TWUUGEDYDUEHIC-LLVKDONJSA-N 1 0 238.287 0.840 10 0 BCAERO CC[NH2+][C@@H](C)CCCn1ccn(C)c(=O)c1=O ZINC000061796903 170138841 /nfs/dbraw/zinc/13/88/41/170138841.db2.gz NOPZSOFCKPIDLH-JTQLQIEISA-N 1 0 239.319 0.325 10 0 BCAERO CC[NH2+][C@@H](C)CC(=O)N1CCOC[C@@H]1C ZINC000061269679 170139428 /nfs/dbraw/zinc/13/94/28/170139428.db2.gz BTLQIQRBCMJZGJ-UWVGGRQHSA-N 1 0 214.309 0.622 10 0 BCAERO CC[NH2+][C@@H](C)CC(=O)N1CCC(O)CC1 ZINC000061269128 170139495 /nfs/dbraw/zinc/13/94/95/170139495.db2.gz RBOGZHMZXROZAX-VIFPVBQESA-N 1 0 214.309 0.358 10 0 BCAERO CC[NH2+][C@@H](C)[C@H]1CCCN(CC(=O)N(C)C)C1 ZINC000104417302 170140978 /nfs/dbraw/zinc/14/09/78/170140978.db2.gz ZTQZGJDIVDNJAI-RYUDHWBXSA-N 1 0 241.379 0.785 10 0 BCAERO CCN[C@@H](C[N@@H+]1CCCO[C@H](C)C1)C(=O)OC ZINC000061933290 170144805 /nfs/dbraw/zinc/14/48/05/170144805.db2.gz RPPXBRSFXNKEOR-MNOVXSKESA-N 1 0 244.335 0.248 10 0 BCAERO CC[NH2+][C@@H](CCOC[C@@H]1CCCCO1)C(N)=O ZINC000062544720 170145193 /nfs/dbraw/zinc/14/51/93/170145193.db2.gz CNLZDUVRQLIERQ-QWRGUYRKSA-N 1 0 244.335 0.426 10 0 BCAERO CC[NH2+][C@@H]1CCC2(C[C@H]1OC)OCCO2 ZINC000044042684 170150383 /nfs/dbraw/zinc/15/03/83/170150383.db2.gz WULIJUPTXDETFN-NXEZZACHSA-N 1 0 215.293 0.907 10 0 BCAERO CC[NH2+][C@@H]1CCC2(C[C@@H]1OC)OCCO2 ZINC000044042676 170150683 /nfs/dbraw/zinc/15/06/83/170150683.db2.gz WULIJUPTXDETFN-ZJUUUORDSA-N 1 0 215.293 0.907 10 0 BCAERO CC[NH2+][C@@H]1CCC[C@@H]1CN1CCS(=O)CC1 ZINC000053873138 170150770 /nfs/dbraw/zinc/15/07/70/170150770.db2.gz ZDXDYIFHSVHRAS-VXGBXAGGSA-N 1 0 244.404 0.829 10 0 BCAERO CC[NH2+][C@@H]1CCN(CCc2ccncc2)C1=O ZINC000049648837 170152274 /nfs/dbraw/zinc/15/22/74/170152274.db2.gz LHIFSCHWYYLUJS-GFCCVEGCSA-N 1 0 233.315 0.835 10 0 BCAERO CC[NH2+][C@H](C(N)=O)c1ccc2c(c1)OCCO2 ZINC000037869569 170156196 /nfs/dbraw/zinc/15/61/96/170156196.db2.gz URYCPPRGLFTXLE-NSHDSACASA-N 1 0 236.271 0.594 10 0 BCAERO CC[NH2+][C@H](C)CCCN1CCN(C)C(=O)C1=O ZINC000061797665 170156881 /nfs/dbraw/zinc/15/68/81/170156881.db2.gz IOGMHPSJKNSLAJ-SNVBAGLBSA-N 1 0 241.335 0.065 10 0 BCAERO CC[NH2+][C@H](C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000043301161 170161105 /nfs/dbraw/zinc/16/11/05/170161105.db2.gz CMGVQUDYBFFBRH-NXEZZACHSA-N 1 0 217.334 0.809 10 0 BCAERO CC[NH2+][C@H](CCOC[C@H]1CCCCO1)C(N)=O ZINC000062544725 170161833 /nfs/dbraw/zinc/16/18/33/170161833.db2.gz CNLZDUVRQLIERQ-GHMZBOCLSA-N 1 0 244.335 0.426 10 0 BCAERO CC[NH2+][C@H]1CCOC[C@@H]1N1CCN(C)CC1 ZINC000043810896 170169022 /nfs/dbraw/zinc/16/90/22/170169022.db2.gz WXQRKOACXDAWHF-RYUDHWBXSA-N 1 0 227.352 0.001 10 0 BCAERO CC[NH2+][C@]1(CO)COc2cc(O)ccc21 ZINC000038120139 170170372 /nfs/dbraw/zinc/17/03/72/170170372.db2.gz MJJURKRWBWCMTG-LLVKDONJSA-N 1 0 209.245 0.582 10 0 BCAERO CCOC(=O)CCCNC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000091540737 170202258 /nfs/dbraw/zinc/20/22/58/170202258.db2.gz CMMUUUYKOXUFJF-VHSXEESVSA-N 1 0 242.319 0.573 10 0 BCAERO CCOC(=O)CC[N@H+](C)C[C@H]1CCOCO1 ZINC000050067683 170203717 /nfs/dbraw/zinc/20/37/17/170203717.db2.gz KXQYBYDUSRGVJF-SNVBAGLBSA-N 1 0 231.292 0.634 10 0 BCAERO CCOC(=O)CCN1C[C@@H](C)[C@H]([NH+](C)C)C1 ZINC000124416900 170207193 /nfs/dbraw/zinc/20/71/93/170207193.db2.gz ZJPJELAUWHHDSO-GHMZBOCLSA-N 1 0 228.336 0.822 10 0 BCAERO CCOC(=O)CC[NH2+]CCCn1ccnc1 ZINC000044288519 170209262 /nfs/dbraw/zinc/20/92/62/170209262.db2.gz XRYQSHFICQLFKT-UHFFFAOYSA-N 1 0 225.292 0.816 10 0 BCAERO CCOC(=O)CC[NH2+][C@@H]1CN2CCC1CC2 ZINC000036671256 170209894 /nfs/dbraw/zinc/20/98/94/170209894.db2.gz PBSGCJNLOYAYJI-LLVKDONJSA-N 1 0 226.320 0.623 10 0 BCAERO CCOC(=O)CC[NH2+][C@H]1CN2CCC1CC2 ZINC000036671257 170210236 /nfs/dbraw/zinc/21/02/36/170210236.db2.gz PBSGCJNLOYAYJI-NSHDSACASA-N 1 0 226.320 0.623 10 0 BCAERO CCOC(=O)CC[NH2+][C@H]1CCC(=O)N[C@H]1C ZINC000309837198 170210383 /nfs/dbraw/zinc/21/03/83/170210383.db2.gz BNEVJRCFLGYPNC-IUCAKERBSA-N 1 0 228.292 0.196 10 0 BCAERO CCOC(=O)CN(C(=O)[C@@H]([NH3+])C(C)C)C1CC1 ZINC000037825596 170212069 /nfs/dbraw/zinc/21/20/69/170212069.db2.gz JBHGNJCHZPETRP-NSHDSACASA-N 1 0 242.319 0.524 10 0 BCAERO CCOC(=O)CN1C[C@H](C)[C@H]([NH+](C)C)C1 ZINC000124422621 170221321 /nfs/dbraw/zinc/22/13/21/170221321.db2.gz IPGWMJUVIQYADT-VHSXEESVSA-N 1 0 214.309 0.431 10 0 BCAERO CCOC(=O)CN1C[C@@H](C)[C@H]([NH+](C)C)C1 ZINC000124422857 170221886 /nfs/dbraw/zinc/22/18/86/170221886.db2.gz IPGWMJUVIQYADT-NXEZZACHSA-N 1 0 214.309 0.431 10 0 BCAERO CCOC(=O)CN1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040750353 170222567 /nfs/dbraw/zinc/22/25/67/170222567.db2.gz BDRDBSUKZIFBBY-PBINXNQUSA-N 1 0 212.293 0.504 10 0 BCAERO CCOC(=O)Cc1c[nH+]cc(C=O)c1N ZINC000095773360 170235763 /nfs/dbraw/zinc/23/57/63/170235763.db2.gz URLXKLKPOKRSIG-UHFFFAOYSA-N 1 0 208.217 0.582 10 0 BCAERO CCOC(=O)[C@@H](C[NH3+])Cc1ccnn1C ZINC000076160554 170251803 /nfs/dbraw/zinc/25/18/03/170251803.db2.gz WKHBSOUHUAQGCH-MRVPVSSYSA-N 1 0 211.265 0.101 10 0 BCAERO CCOC(=O)[C@@H](N)CC[N@H+](CC)C1CC1 ZINC000062446970 170252107 /nfs/dbraw/zinc/25/21/07/170252107.db2.gz YOOILMHAHOYNLR-JTQLQIEISA-N 1 0 214.309 0.751 10 0 BCAERO CCOC(=O)[C@@H](N)C[N@H+](CC)C1CC1 ZINC000045386159 170252425 /nfs/dbraw/zinc/25/24/25/170252425.db2.gz CKFWTIZQKCLIKJ-VIFPVBQESA-N 1 0 200.282 0.361 10 0 BCAERO CCOC(=O)[C@@H](N)C[N@H+](CC)CC(C)C ZINC000045381534 170252453 /nfs/dbraw/zinc/25/24/53/170252453.db2.gz NVYSFORVDSWGPZ-JTQLQIEISA-N 1 0 216.325 0.855 10 0 BCAERO CCOC(=O)[C@@H](N)C[N@H+](C)CC1CCC1 ZINC000061483063 170252665 /nfs/dbraw/zinc/25/26/65/170252665.db2.gz RSTIHEXMDQWGOH-JTQLQIEISA-N 1 0 214.309 0.609 10 0 BCAERO CCOC(=O)[C@@H](N)C[N@H+](C)[C@@H](C)C(C)C ZINC000045391756 170252978 /nfs/dbraw/zinc/25/29/78/170252978.db2.gz LKEOOASARCKLEI-UWVGGRQHSA-N 1 0 216.325 0.853 10 0 BCAERO CCOC(=O)[C@@H](O)[C@H]([NH3+])c1ccccc1 ZINC000085071542 170256131 /nfs/dbraw/zinc/25/61/31/170256131.db2.gz PIYPODQNLLWXJG-ZJUUUORDSA-N 1 0 209.245 0.610 10 0 BCAERO CCOC(=O)[C@@H]1CCCCN1C(=O)[C@@H]([NH3+])CC ZINC000037825334 170256862 /nfs/dbraw/zinc/25/68/62/170256862.db2.gz ANDTWUFFCIVFRR-UWVGGRQHSA-N 1 0 242.319 0.668 10 0 BCAERO CCOC(=O)[C@@](C)(N)C[N@@H+]1CCCO[C@H](C)C1 ZINC000061933341 170260523 /nfs/dbraw/zinc/26/05/23/170260523.db2.gz VHGAPRVFWCYZKQ-PWSUYJOCSA-N 1 0 244.335 0.378 10 0 BCAERO CCOC(=O)[C@@]12CC[C@@H](C[NH2+]C1)[C@@H]2F ZINC000091305249 170263609 /nfs/dbraw/zinc/26/36/09/170263609.db2.gz WUQYJNYCKSPDSH-NRPADANISA-N 1 0 201.241 0.887 10 0 BCAERO CCOC(=O)[C@H](C(C)C)N1CC[NH2+]CC1 ZINC000026481226 170264038 /nfs/dbraw/zinc/26/40/38/170264038.db2.gz XZKJWNMCCBEWAW-JTQLQIEISA-N 1 0 214.309 0.479 10 0 BCAERO CCOC(=O)[C@H](C)NC[C@H](O)C[NH+](CC)CC ZINC000049373097 170267599 /nfs/dbraw/zinc/26/75/99/170267599.db2.gz CCIUZMRLKPFQGB-QWRGUYRKSA-N 1 0 246.351 0.230 10 0 BCAERO CCOC(=O)[C@H](CC[N@H+](C)CCCOC)NC ZINC000062533605 170272712 /nfs/dbraw/zinc/27/27/12/170272712.db2.gz IYUYOXVXUWPKLS-NSHDSACASA-N 1 0 246.351 0.496 10 0 BCAERO CCOC(=O)[C@H](NCC[NH+](C)C)[C@H]1CCOC1 ZINC000037965159 170277497 /nfs/dbraw/zinc/27/74/97/170277497.db2.gz NFEBCOXRKXPORF-WDEREUQCSA-N 1 0 244.335 0.106 10 0 BCAERO CCOC(=O)[C@H](NCC[NH+](C)C)[C@@H]1CCOC1 ZINC000037965157 170277703 /nfs/dbraw/zinc/27/77/03/170277703.db2.gz NFEBCOXRKXPORF-GHMZBOCLSA-N 1 0 244.335 0.106 10 0 BCAERO CCOC(=O)[C@H]1CCCCN1C(=O)[C@@H](C)[NH3+] ZINC000037825307 170280023 /nfs/dbraw/zinc/28/00/23/170280023.db2.gz CNRWCSCPSUIUSW-RKDXNWHRSA-N 1 0 228.292 0.278 10 0 BCAERO CCOC(=O)[C@H]1CSCCC(N)=[NH+]1 ZINC000026640693 170282204 /nfs/dbraw/zinc/28/22/04/170282204.db2.gz LNSHKGOQQSVQCM-ZCFIWIBFSA-N 1 0 202.279 0.412 10 0 BCAERO CCOC(=O)c1cccnc1NCC[NH2+]C ZINC000054244759 170300142 /nfs/dbraw/zinc/30/01/42/170300142.db2.gz AUOBQABPDAMVQL-UHFFFAOYSA-N 1 0 223.276 0.890 10 0 BCAERO CCOC(=O)c1nc(Cl)c2c(n1)CC[NH2+]C2 ZINC000095642180 170307079 /nfs/dbraw/zinc/30/70/79/170307079.db2.gz XQDNBNNNYZLLNA-UHFFFAOYSA-N 1 0 241.678 0.952 10 0 BCAERO CC(C)[C@H]([NH3+])C(=O)N[C@H]1CCCOC1 ZINC000071023458 411572706 /nfs/dbraw/zinc/57/27/06/411572706.db2.gz YWSOMQRQASPWTM-IUCAKERBSA-N 1 0 200.282 0.265 10 0 BCAERO CCOCCC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000116783089 170358693 /nfs/dbraw/zinc/35/86/93/170358693.db2.gz NGYYQUPZIJTJJD-LLVKDONJSA-N 1 0 244.335 0.202 10 0 BCAERO CCOCCC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000116783091 170358829 /nfs/dbraw/zinc/35/88/29/170358829.db2.gz NGYYQUPZIJTJJD-NSHDSACASA-N 1 0 244.335 0.202 10 0 BCAERO CCOCCC[N@@H+]1C[C@@H](OC)C[C@H]1CO ZINC000308843452 170374722 /nfs/dbraw/zinc/37/47/22/170374722.db2.gz ODXOMIXXOMMTAF-QWRGUYRKSA-N 1 0 217.309 0.495 10 0 BCAERO CCOCCC[N@@H+]1C[C@H](OC)C[C@H]1CO ZINC000308843453 170376596 /nfs/dbraw/zinc/37/65/96/170376596.db2.gz ODXOMIXXOMMTAF-WDEREUQCSA-N 1 0 217.309 0.495 10 0 BCAERO CCOCCC[NH2+][C@H]1CCC(=O)N[C@@H]1C ZINC000309054300 170383180 /nfs/dbraw/zinc/38/31/80/170383180.db2.gz SSBJZUOMTNDHQS-ZJUUUORDSA-N 1 0 214.309 0.670 10 0 BCAERO CCOCC[N@@H+]1CCN(CC(=O)OC)C[C@@H]1C ZINC000105914279 170399702 /nfs/dbraw/zinc/39/97/02/170399702.db2.gz UQGJKDQCZKLBOQ-NSHDSACASA-N 1 0 244.335 0.202 10 0 BCAERO COC[C@H](C[N@@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1)OC ZINC000660808078 411638890 /nfs/dbraw/zinc/63/88/90/411638890.db2.gz NGXJCGONHQDJKL-CYDGBPFRSA-N 1 0 243.347 0.741 10 0 BCAERO COCC(C)(C)C[NH2+]C[C@@H]1CC(=O)N(C)C1 ZINC000657694287 411580868 /nfs/dbraw/zinc/58/08/68/411580868.db2.gz BZDCFPPZDMEHGK-JTQLQIEISA-N 1 0 228.336 0.727 10 0 BCAERO CN1C[C@H](C[NH2+]Cc2cc[nH]c2)CC1=O ZINC000657696059 411581051 /nfs/dbraw/zinc/58/10/51/411581051.db2.gz GUIOBRQUMZSYGY-JTQLQIEISA-N 1 0 207.277 0.583 10 0 BCAERO Cc1ccncc1C[NH2+]C[C@@H]1CC(=O)N(C)C1 ZINC000657696120 411581216 /nfs/dbraw/zinc/58/12/16/411581216.db2.gz RZGNOFYNQNESQI-NSHDSACASA-N 1 0 233.315 0.958 10 0 BCAERO Cc1cnn(C)c1C[NH2+]C[C@@H]1CC(=O)N(C)C1 ZINC000657694795 411581354 /nfs/dbraw/zinc/58/13/54/411581354.db2.gz GTMCCNFBTFRRBP-JTQLQIEISA-N 1 0 236.319 0.296 10 0 BCAERO Cc1nn(C)c(C)c1C[NH2+]C1CC(CO)C1 ZINC000657808096 411601062 /nfs/dbraw/zinc/60/10/62/411601062.db2.gz AZHNDMRJKXLKRE-UHFFFAOYSA-N 1 0 223.320 0.897 10 0 BCAERO C[C@@H]1C[C@H]([NH2+]C2CC(CO)C2)CN1C1CC1 ZINC000657813149 411604312 /nfs/dbraw/zinc/60/43/12/411604312.db2.gz RGRYAMOYZRPHGJ-YYJSSNLHSA-N 1 0 224.348 0.972 10 0 BCAERO CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+]C1(C(C)C)CC1 ZINC000660640682 411608255 /nfs/dbraw/zinc/60/82/55/411608255.db2.gz RUTNEFQAXKSEQS-VHSXEESVSA-N 1 0 247.360 0.577 10 0 BCAERO CCO[C@@H]1C[C@@H]1C(=O)N1CCC(C[NH2+]C)CC1 ZINC000236852052 170485301 /nfs/dbraw/zinc/48/53/01/170485301.db2.gz HSYOXZWHQXPNJH-NWDGAFQWSA-N 1 0 240.347 0.869 10 0 BCAERO CCO[C@@H]1C[C@@H]1C(=O)NCC(C)(C)[NH3+] ZINC000236853462 170486865 /nfs/dbraw/zinc/48/68/65/170486865.db2.gz DQYXDWHXRIROSI-JGVFFNPUSA-N 1 0 200.282 0.265 10 0 BCAERO c1nc2c(c(NC[C@H]3C[NH2+]CCCO3)n1)CCC2 ZINC000390210642 411706813 /nfs/dbraw/zinc/70/68/13/411706813.db2.gz LGHMIADWXAJXQB-SNVBAGLBSA-N 1 0 248.330 0.756 10 0 BCAERO COc1cc(OC)nc(N[C@@H]2CC[NH2+][C@H]2C)n1 ZINC000630543300 411709764 /nfs/dbraw/zinc/70/97/64/411709764.db2.gz AVIHWHOOLRKZGT-JGVFFNPUSA-N 1 0 238.291 0.656 10 0 BCAERO CC[NH2+][C@H](C)CNc1nccn2c(C)nnc12 ZINC000387572788 411647829 /nfs/dbraw/zinc/64/78/29/411647829.db2.gz NKJIZPXKHCXDTP-MRVPVSSYSA-N 1 0 234.307 0.843 10 0 BCAERO Cc1cc(NCCOCCC[NH3+])nc(C)n1 ZINC000630534502 411650301 /nfs/dbraw/zinc/65/03/01/411650301.db2.gz LVBWEEIPPJASQB-UHFFFAOYSA-N 1 0 224.308 0.871 10 0 BCAERO CC[NH2+][C@H](C)CNc1ccnc(N(C)C)n1 ZINC000387405197 411650699 /nfs/dbraw/zinc/65/06/99/411650699.db2.gz BMCBWKRJUPSONI-SECBINFHSA-N 1 0 223.324 0.953 10 0 BCAERO Cc1nc(NC[C@@H]2C[NH2+]C[C@H]2O)sc1C ZINC000420260090 411748001 /nfs/dbraw/zinc/74/80/01/411748001.db2.gz ZLPRHXZDVWCUPH-DTWKUNHWSA-N 1 0 227.333 0.752 10 0 BCAERO Cc1nc(NC[C@H]2C[NH2+]CCCO2)sc1C ZINC000390188555 411749539 /nfs/dbraw/zinc/74/95/39/411749539.db2.gz GSZBAJSEHNKDCO-SNVBAGLBSA-N 1 0 241.360 1.550 10 0 BCAERO CCS(=O)(=O)N1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040749827 170615804 /nfs/dbraw/zinc/61/58/04/170615804.db2.gz HHHUQJKOKOXUBO-CBLAIPOGSA-N 1 0 218.322 0.290 10 0 BCAERO CCc1ncnc(NCCOCCC[NH3+])c1F ZINC000630535412 411786082 /nfs/dbraw/zinc/78/60/82/411786082.db2.gz VEXBMISCZNMCGQ-UHFFFAOYSA-N 1 0 242.298 0.955 10 0 BCAERO CCOc1nccnc1NC[C@H]([NH3+])C1CC1 ZINC000572859638 411719435 /nfs/dbraw/zinc/71/94/35/411719435.db2.gz KGHAMUXVXVWXAF-VIFPVBQESA-N 1 0 222.292 1.025 10 0 BCAERO CCOc1nccnc1N[C@@H](C)CC[NH3+] ZINC000568733187 411719522 /nfs/dbraw/zinc/71/95/22/411719522.db2.gz QSKQITJDZBLHRE-QMMMGPOBSA-N 1 0 210.281 1.025 10 0 BCAERO CCOc1nccnc1NC[C@@H]([NH3+])CC ZINC000563664128 411720990 /nfs/dbraw/zinc/72/09/90/411720990.db2.gz ZKSOLZWRKCEYIT-QMMMGPOBSA-N 1 0 210.281 1.025 10 0 BCAERO CCc1nnc(C[NH2+][C@H](CO)C2CCC2)n1C ZINC000661152598 411721206 /nfs/dbraw/zinc/72/12/06/411721206.db2.gz ATVZUYLSMUYPJH-SNVBAGLBSA-N 1 0 238.335 0.628 10 0 BCAERO Cc1nnc(NCCOCCC[NH3+])nc1C ZINC000630535835 411803475 /nfs/dbraw/zinc/80/34/75/411803475.db2.gz FTMBCLYVCWMLDU-UHFFFAOYSA-N 1 0 225.296 0.266 10 0 BCAERO Cc1nnc2c(N[C@@H](C)[C@H](C)[NH3+])nccn12 ZINC000381627058 411804773 /nfs/dbraw/zinc/80/47/73/411804773.db2.gz UMWPDEOVNMTKHG-BQBZGAKWSA-N 1 0 220.280 0.580 10 0 BCAERO Cc1nnc2c(N[C@H](C)[C@H](C)[NH3+])nccn12 ZINC000381627059 411805736 /nfs/dbraw/zinc/80/57/36/411805736.db2.gz UMWPDEOVNMTKHG-NKWVEPMBSA-N 1 0 220.280 0.580 10 0 BCAERO CC[C@@H](C)N(C)C(=O)[C@H](C)N1CC[NH2+]CC1 ZINC000037110774 170722053 /nfs/dbraw/zinc/72/20/53/170722053.db2.gz OBTCVNBPDJKPQH-MNOVXSKESA-N 1 0 227.352 0.537 10 0 BCAERO C[C@@H]1CC[NH2+]C[C@H]1Nc1ccc(C#N)nn1 ZINC000396940353 411835707 /nfs/dbraw/zinc/83/57/07/411835707.db2.gz TUYONYIYKPHZCJ-PSASIEDQSA-N 1 0 217.276 0.758 10 0 BCAERO C=CC(=O)NCCN(C)c1cccc(N)[nH+]1 ZINC000584627456 411839382 /nfs/dbraw/zinc/83/93/82/411839382.db2.gz WNBQRGDEVZGPIC-UHFFFAOYSA-N 1 0 220.276 0.402 10 0 BCAERO CC[C@@H](C)[NH2+]CC(=O)N1CCC[C@H](O)C1 ZINC000037654910 170750969 /nfs/dbraw/zinc/75/09/69/170750969.db2.gz DKHNJYSRYUTKCP-ZJUUUORDSA-N 1 0 214.309 0.358 10 0 BCAERO CCN1CC[NH2+]C[C@@H]1c1ccc(N)nc1 ZINC000616637509 411857533 /nfs/dbraw/zinc/85/75/33/411857533.db2.gz OFWAKSGURKNDFH-SNVBAGLBSA-N 1 0 206.293 0.630 10 0 BCAERO COC(=O)N1CC[NH2+]C[C@@H]1c1ccnc(N)c1 ZINC000616636407 411909920 /nfs/dbraw/zinc/90/99/20/411909920.db2.gz MLZQURKHURSKFX-SECBINFHSA-N 1 0 236.275 0.377 10 0 BCAERO CC(C)[C@@H]([NH3+])CC(=O)N(C)CC[C@@H](C)O ZINC000219742045 411883214 /nfs/dbraw/zinc/88/32/14/411883214.db2.gz UYEYRDMRQAEGHL-ZJUUUORDSA-N 1 0 216.325 0.589 10 0 BCAERO C[C@H]1C[N@H+](CC(C)(C)O)C[C@@]1(C)CO ZINC000662133942 411997942 /nfs/dbraw/zinc/99/79/42/411997942.db2.gz HIUHRRBZXYZPTF-ONGXEEELSA-N 1 0 201.310 0.708 10 0 BCAERO C[C@@H]1C[N@H+](CC2(O)CCC2)C[C@@]1(C)CO ZINC000662144174 412006862 /nfs/dbraw/zinc/00/68/62/412006862.db2.gz UREFGPYUQGOGHD-MNOVXSKESA-N 1 0 213.321 0.852 10 0 BCAERO CCC[C@H]([NH3+])C(=O)NCC1(CO)CC1 ZINC000132494368 412008358 /nfs/dbraw/zinc/00/83/58/412008358.db2.gz OJXIUKMMRHLITL-QMMMGPOBSA-N 1 0 200.282 0.003 10 0 BCAERO Cc1cc(NC[C@@H]2CC(=O)N(C)C2)cc[nH+]1 ZINC000664456585 411962407 /nfs/dbraw/zinc/96/24/07/411962407.db2.gz GFNNRLRILKIMFU-JTQLQIEISA-N 1 0 219.288 0.702 10 0 BCAERO CC[C@@H]1CCCCN1S(=O)(=O)CC[NH3+] ZINC000011584672 170965127 /nfs/dbraw/zinc/96/51/27/170965127.db2.gz FATALOLGPQRULS-SECBINFHSA-N 1 0 220.338 0.539 10 0 BCAERO CC[C@@H]1CN(C(=O)[C@@H]2CC[NH2+]C2)CCO1 ZINC000062112897 171068258 /nfs/dbraw/zinc/06/82/58/171068258.db2.gz XQBUCNJZCDAYGZ-NXEZZACHSA-N 1 0 212.293 0.233 10 0 BCAERO CC[C@@H]1CN(C[C@@H]2CCS(=O)(=O)C2)CC[NH2+]1 ZINC000083084077 171086557 /nfs/dbraw/zinc/08/65/57/171086557.db2.gz JVGZCWFVSAVMTD-WDEREUQCSA-N 1 0 246.376 0.105 10 0 BCAERO CC[C@@H]1CN([C@@H](C[NH3+])C2CCOCC2)CCO1 ZINC000052177071 171094344 /nfs/dbraw/zinc/09/43/44/171094344.db2.gz RVAUDNNJRBFVDH-OLZOCXBDSA-N 1 0 242.363 0.851 10 0 BCAERO CC[C@@H]1COCCN1C(=O)C(C)(C)[NH3+] ZINC000040920972 171103321 /nfs/dbraw/zinc/10/33/21/171103321.db2.gz SOOPSXBKSWWKLG-MRVPVSSYSA-N 1 0 200.282 0.361 10 0 BCAERO CC[C@@H]1COCCN1C(=O)C(C)(C)C[NH3+] ZINC000044751776 171103356 /nfs/dbraw/zinc/10/33/56/171103356.db2.gz QYIHJAJSVGKRQD-SECBINFHSA-N 1 0 214.309 0.609 10 0 BCAERO CC[C@@H]1COCCN1C(=O)[C@@H](C)[NH2+]C ZINC000054072573 171104263 /nfs/dbraw/zinc/10/42/63/171104263.db2.gz ZDWHPPNLZPCMAW-RKDXNWHRSA-N 1 0 200.282 0.232 10 0 BCAERO CC[C@@H]1COCCN1C(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000227882567 171104415 /nfs/dbraw/zinc/10/44/15/171104415.db2.gz OORPDMJHLFXBIN-HBNTYKKESA-N 1 0 226.320 0.751 10 0 BCAERO CC[C@@H]1CO[C@@H](C)CN1C[C@]1(C[NH3+])CCOC1 ZINC000051257678 171110879 /nfs/dbraw/zinc/11/08/79/171110879.db2.gz YTXDJHLWBYKBQX-YNEHKIRRSA-N 1 0 242.363 0.851 10 0 BCAERO CC[C@@H]1CO[C@H](C)CN1C(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000233940434 171111662 /nfs/dbraw/zinc/11/16/62/171111662.db2.gz HUPARFQIMVWESN-DDHJBXDOSA-N 1 0 240.347 0.868 10 0 BCAERO CC[C@@H]1CSC(N[C@H](C)C(=O)N(C)C)=N1 ZINC000042572563 171113484 /nfs/dbraw/zinc/11/34/84/171113484.db2.gz BAVQFKALEOVJGZ-HTQZYQBOSA-N 1 0 229.349 0.934 10 0 BCAERO CC[C@@](C(N)=O)(c1ccccc1)N1CC[NH2+]CC1 ZINC000037951608 171162855 /nfs/dbraw/zinc/16/28/55/171162855.db2.gz QZXFXWVYFIJHLU-AWEZNQCLSA-N 1 0 247.342 0.682 10 0 BCAERO CC[C@@](C)(C(=O)[O-])[N@@H+]1CCC[NH2+]CC1 ZINC000037958893 171163294 /nfs/dbraw/zinc/16/32/94/171163294.db2.gz SYAZOAFAGZXUAM-JTQLQIEISA-N 1 0 200.282 0.535 10 0 BCAERO CC[C@@](NCC[NH+](C)C)(C(N)=O)c1ccccc1 ZINC000037951758 171194541 /nfs/dbraw/zinc/19/45/41/171194541.db2.gz RUCOHJKRGPFXOR-AWEZNQCLSA-N 1 0 249.358 0.928 10 0 BCAERO CC[C@@]1(CN(CCOC)CCOC)CC[NH2+]C1 ZINC000062911596 171210197 /nfs/dbraw/zinc/21/01/97/171210197.db2.gz OJYYQODPKGJWCN-CYBMUJFWSA-N 1 0 244.379 0.971 10 0 BCAERO CC[C@@]1(c2nc(-c3nc[nH]n3)no2)CCC[NH2+]C1 ZINC000062871874 171216950 /nfs/dbraw/zinc/21/69/50/171216950.db2.gz MZPPNZNGFODYJX-LLVKDONJSA-N 1 0 248.290 0.886 10 0 BCAERO CC[C@H](C(N)=O)N(C)c1cc[nH+]cc1N ZINC000061677785 171243080 /nfs/dbraw/zinc/24/30/80/171243080.db2.gz SYVFMNZQLUJNLK-MRVPVSSYSA-N 1 0 208.265 0.364 10 0 BCAERO CC[C@H](C)C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000116789682 171249545 /nfs/dbraw/zinc/24/95/45/171249545.db2.gz PHSRDLZWLURJNZ-WDEREUQCSA-N 1 0 228.336 0.822 10 0 BCAERO CC[C@H](C)NC(=O)CC[NH2+][C@H]1CCC[C@@H]1O ZINC000038014558 171324241 /nfs/dbraw/zinc/32/42/41/171324241.db2.gz ZYPJPZSABFQNLB-DCAQKATOSA-N 1 0 228.336 0.794 10 0 BCAERO CC[C@H](C)NC(=O)C[NH2+][C@H]1CN2CCC1CC2 ZINC000020070652 171326007 /nfs/dbraw/zinc/32/60/07/171326007.db2.gz PQKTXAKUWATJSB-JQWIXIFHSA-N 1 0 239.363 0.585 10 0 BCAERO CC[C@H](C)[NH2+]C1(CO)CCS(=O)(=O)CC1 ZINC000042333439 171339325 /nfs/dbraw/zinc/33/93/25/171339325.db2.gz SQNIRXOGADFWTI-VIFPVBQESA-N 1 0 235.349 0.314 10 0 BCAERO CC[C@H](C)[NH2+]CC(=O)N1CCC(C(N)=O)CC1 ZINC000037386462 171339591 /nfs/dbraw/zinc/33/95/91/171339591.db2.gz HKBLSBDUEMJCGM-VIFPVBQESA-N 1 0 241.335 0.098 10 0 BCAERO CC[C@H](C)[NH2+]CC(=O)N1CCO[C@H](C)C1 ZINC000037395554 171339755 /nfs/dbraw/zinc/33/97/55/171339755.db2.gz HBADNBCQWIWQDI-VHSXEESVSA-N 1 0 214.309 0.622 10 0 BCAERO CC[C@H](C)[NH2+]CC(=O)N1CCCC[C@H]1C(N)=O ZINC000037495624 171339815 /nfs/dbraw/zinc/33/98/15/171339815.db2.gz NZYDCGNJYCEDSC-UWVGGRQHSA-N 1 0 241.335 0.241 10 0 BCAERO CC[C@H](C)[C@@H]([NH3+])C(=O)N[C@@H](C(=O)OC)C(C)C ZINC000223979495 171371360 /nfs/dbraw/zinc/37/13/60/171371360.db2.gz FLJWXGYLAKEICP-IVZWLZJFSA-N 1 0 244.335 0.674 10 0 BCAERO CC[C@H](C)[C@H](C(N)=O)N1CCC[NH2+]CC1 ZINC000041050124 171382735 /nfs/dbraw/zinc/38/27/35/171382735.db2.gz CKOVZYLPOMOHPP-VHSXEESVSA-N 1 0 213.325 0.182 10 0 BCAERO CC[C@H](C)[C@H](C(=O)[O-])[N@@H+]1CCC[NH2+]CC1 ZINC000041050280 171383161 /nfs/dbraw/zinc/38/31/61/171383161.db2.gz FGBLOCYIIOSYPT-VHSXEESVSA-N 1 0 214.309 0.781 10 0 BCAERO CC[C@H](C)[C@H]([NH3+])C(=O)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071189586 171392823 /nfs/dbraw/zinc/39/28/23/171392823.db2.gz UADINNRIFAAKSJ-TUAOUCFPSA-N 1 0 241.379 0.770 10 0 BCAERO CC[C@H](C)[C@H]([NH3+])C(=O)N(C)[C@H]1CCC[N@H+](C)C1 ZINC000053245638 171393248 /nfs/dbraw/zinc/39/32/48/171393248.db2.gz IBANLZUUTXVYEQ-SRVKXCTJSA-N 1 0 241.379 0.912 10 0 BCAERO CC[C@H](C)[C@H]([NH3+])C(=O)N1CCNC(=O)C1(C)C ZINC000104125418 171394431 /nfs/dbraw/zinc/39/44/31/171394431.db2.gz CDFIPBFETUGNLP-IUCAKERBSA-N 1 0 241.335 0.097 10 0 BCAERO CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H](C)[C@@H](C)CO ZINC000163396937 171395335 /nfs/dbraw/zinc/39/53/35/171395335.db2.gz AYKNMZHXTYYMDE-XKNYDFJKSA-N 1 0 216.325 0.493 10 0 BCAERO CC[C@H](CCO)NC(=O)[C@@H]([NH3+])[C@@H](C)CC ZINC000163403074 171397087 /nfs/dbraw/zinc/39/70/87/171397087.db2.gz OWQLVYIBSZWXLE-AEJSXWLSSA-N 1 0 216.325 0.637 10 0 BCAERO CC[C@H](C)[C@H]([NH3+])CN1CCS(=O)CC1 ZINC000049692961 171397094 /nfs/dbraw/zinc/39/70/94/171397094.db2.gz SGEMWWYGWFFKJO-VHSXEESVSA-N 1 0 218.366 0.424 10 0 BCAERO CC(C)n1nnnc1CN1CC2CC1(C[NH3+])C2 ZINC000662304765 412090324 /nfs/dbraw/zinc/09/03/24/412090324.db2.gz BQUFOQFDOYRPKW-UHFFFAOYSA-N 1 0 236.323 0.177 10 0 BCAERO C[C@@H](NC(=O)C[C@H]1CC[NH2+]C1)[C@H]1CCCO1 ZINC000662377139 412129194 /nfs/dbraw/zinc/12/91/94/412129194.db2.gz CXVTZWMBWAAXEV-GMTAPVOTSA-N 1 0 226.320 0.670 10 0 BCAERO CC[C@H]([NH3+])C(=O)N1CCc2ncccc2C1 ZINC000037484108 171478119 /nfs/dbraw/zinc/47/81/19/171478119.db2.gz FBBLKTPSNHXMHS-JTQLQIEISA-N 1 0 219.288 0.704 10 0 BCAERO C[C@@H](O)CCNC(=O)c1cccc2c1C[NH2+]C2 ZINC000662471122 412186496 /nfs/dbraw/zinc/18/64/96/412186496.db2.gz LHNYGILETJINHQ-SECBINFHSA-N 1 0 234.299 0.791 10 0 BCAERO CC[C@H]([NH3+])C(=O)N[C@H](C)c1cccnc1 ZINC000036871709 171482628 /nfs/dbraw/zinc/48/26/28/171482628.db2.gz VQMWEQCRWJYZRU-SCZZXKLOSA-N 1 0 207.277 0.996 10 0 BCAERO CCn1cc(CN[C@@H](C)[C@H]2CCC[NH2+]C2)nn1 ZINC000665245904 412191667 /nfs/dbraw/zinc/19/16/67/412191667.db2.gz UNDKYUYHQOWSSI-QWRGUYRKSA-N 1 0 237.351 0.776 10 0 BCAERO C[C@H]([NH3+])C[C@H](C)Nc1ccc(C#N)nn1 ZINC000396898835 412214935 /nfs/dbraw/zinc/21/49/35/412214935.db2.gz BGOUPMRZDHFDPM-YUMQZZPRSA-N 1 0 205.265 0.886 10 0 BCAERO CC[C@@H](O)CCNC(=O)C[C@H]([NH3+])C(C)C ZINC000218845365 412192485 /nfs/dbraw/zinc/19/24/85/412192485.db2.gz FBENICKGWCYDMA-ZJUUUORDSA-N 1 0 216.325 0.637 10 0 BCAERO CC[C@@H]([NH2+]C)C(=O)NC[C@@H](O)C(C)(C)C ZINC000662502219 412197604 /nfs/dbraw/zinc/19/76/04/412197604.db2.gz JZIJZOJEXKYBBU-RKDXNWHRSA-N 1 0 216.325 0.508 10 0 BCAERO CC[C@H]([NH2+]C)C(=O)NC[C@@H](O)C(C)(C)C ZINC000662502217 412197945 /nfs/dbraw/zinc/19/79/45/412197945.db2.gz JZIJZOJEXKYBBU-DTWKUNHWSA-N 1 0 216.325 0.508 10 0 BCAERO [NH3+][C@H]1C[C@H](C(=O)N2CCO[C@H]3CCCC[C@@H]32)C1 ZINC000662508298 412199259 /nfs/dbraw/zinc/19/92/59/412199259.db2.gz YHLXAXVDLJFDOB-BJDJZHNGSA-N 1 0 238.331 0.894 10 0 BCAERO CC[C@H]([NH2+]C)C(=O)NC[C@H]1CCC[C@@H]1O ZINC000662526604 412205652 /nfs/dbraw/zinc/20/56/52/412205652.db2.gz AWYHOVGTAWITOC-UTLUCORTSA-N 1 0 214.309 0.262 10 0 BCAERO C[C@@H]1[NH2+]CC[C@H]1Nc1ccc2nncn2n1 ZINC000630546751 412163821 /nfs/dbraw/zinc/16/38/21/412163821.db2.gz VFGYEWUGUYFDEK-JGVFFNPUSA-N 1 0 218.264 0.287 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)NCCO[C@H]1CC1(F)F ZINC000662646382 412255248 /nfs/dbraw/zinc/25/52/48/412255248.db2.gz NUNIYQGKUJOYFO-SFYZADRCSA-N 1 0 236.262 0.654 10 0 BCAERO CN(CC1=CCCOC1)C(=O)[C@@H]1CC[NH2+]C1 ZINC000662662775 412262640 /nfs/dbraw/zinc/26/26/40/412262640.db2.gz VKSBTNPKHJHBJK-LLVKDONJSA-N 1 0 224.304 0.401 10 0 BCAERO COC[C@H]([NH3+])C(=O)NC[C@H]1CCC[C@@H](C)O1 ZINC000662667885 412266369 /nfs/dbraw/zinc/26/63/69/412266369.db2.gz ZNJXBFQMHBASKU-BBBLOLIVSA-N 1 0 230.308 0.034 10 0 BCAERO CNC(=O)c1ccc(N[C@@H]2CC[C@@H](C)[NH2+]C2)nn1 ZINC000630531609 412288863 /nfs/dbraw/zinc/28/88/63/412288863.db2.gz BSRAOSGTRIUKFK-RKDXNWHRSA-N 1 0 249.318 0.389 10 0 BCAERO N#Cc1ccc(N[C@H]2CCCC[C@@H]2C[NH3+])nn1 ZINC000396956688 412272534 /nfs/dbraw/zinc/27/25/34/412272534.db2.gz CIECNZSBPUOVNB-KOLCDFICSA-N 1 0 231.303 1.278 10 0 BCAERO N#Cc1ccc(N[C@H]2CCCC[C@H]2C[NH3+])nn1 ZINC000396956696 412273690 /nfs/dbraw/zinc/27/36/90/412273690.db2.gz CIECNZSBPUOVNB-ONGXEEELSA-N 1 0 231.303 1.278 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)N1CCC(=O)N(C)CC1 ZINC000662695765 412274419 /nfs/dbraw/zinc/27/44/19/412274419.db2.gz PNCCQSPWBBOCRK-SNVBAGLBSA-N 1 0 241.335 0.051 10 0 BCAERO CC[C@H](c1noc(COC)n1)N1CC[NH2+]CC1 ZINC000104436250 171601513 /nfs/dbraw/zinc/60/15/13/171601513.db2.gz RJIPRZUHUYSVMV-SECBINFHSA-N 1 0 240.307 0.572 10 0 BCAERO C[C@H]1CN(C(=O)[C@H]2C[C@H]([NH3+])C2)CCS1 ZINC000662574923 412225929 /nfs/dbraw/zinc/22/59/29/412225929.db2.gz NNOPRUFIDNKFAU-CIUDSAMLSA-N 1 0 214.334 0.688 10 0 BCAERO C[C@@H]1CN(C(=O)[C@H]2C[C@H]3C[C@H]3C2)C[C@H]1[NH3+] ZINC000662574244 412226330 /nfs/dbraw/zinc/22/63/30/412226330.db2.gz YCNPQLHGXQLEET-SAVGLBRCSA-N 1 0 208.305 0.838 10 0 BCAERO COC[C@@H]([NH3+])C(=O)NC[C@@H](C)c1ccccn1 ZINC000662605142 412237887 /nfs/dbraw/zinc/23/78/87/412237887.db2.gz IJVIDBYXEIMOAV-NXEZZACHSA-N 1 0 237.303 0.275 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)NCC[C@H](COC)OC ZINC000662617631 412242860 /nfs/dbraw/zinc/24/28/60/412242860.db2.gz OTUIKFYPHRNUEW-NXEZZACHSA-N 1 0 232.324 0.282 10 0 BCAERO C[C@@H](CN[C@@H]1CCC[NH2+]CC1)S(C)(=O)=O ZINC000665299846 412248466 /nfs/dbraw/zinc/24/84/66/412248466.db2.gz UICXXRFQTXHVLX-VHSXEESVSA-N 1 0 234.365 0.151 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N1CCC(C2CCC2)CC1 ZINC000662630429 412250260 /nfs/dbraw/zinc/25/02/60/412250260.db2.gz FIXRIPIAABTVFJ-GFCCVEGCSA-N 1 0 240.347 0.999 10 0 BCAERO [NH3+]C[C@H]1CCC[C@@H]1C(=O)NCCOCCF ZINC000663003098 412366429 /nfs/dbraw/zinc/36/64/29/412366429.db2.gz JPUVJCOSHNXZRW-ZJUUUORDSA-N 1 0 232.299 0.464 10 0 BCAERO C[C@]1(C(=O)NC/C=C/CO)CCCC[NH2+]1 ZINC000662856017 412325473 /nfs/dbraw/zinc/32/54/73/412325473.db2.gz MCESVAPMMADZRW-SGUJLRQBSA-N 1 0 212.293 0.183 10 0 BCAERO CO[C@H]1C[NH2+][C@@H](C(=O)NC2CC3(CCC3)C2)C1 ZINC000662907722 412342282 /nfs/dbraw/zinc/34/22/82/412342282.db2.gz WDCXEUZTPLIYAT-GHMZBOCLSA-N 1 0 238.331 0.812 10 0 BCAERO COC(=O)c1ccc(NC[C@@H](C)C[NH3+])nc1C ZINC000581716555 412343034 /nfs/dbraw/zinc/34/30/34/412343034.db2.gz DJHWDBLMDAHBAX-QMMMGPOBSA-N 1 0 237.303 1.183 10 0 BCAERO COC[C@H]([NH3+])C(=O)NC(C)(C1CC1)C1CC1 ZINC000662915333 412344796 /nfs/dbraw/zinc/34/47/96/412344796.db2.gz LAYOVDWPKCKWKA-JTQLQIEISA-N 1 0 226.320 0.655 10 0 BCAERO [NH3+]C1(C(=O)N2CC[C@H]3C[C@H]3C2)CCOCC1 ZINC000662915304 412345272 /nfs/dbraw/zinc/34/52/72/412345272.db2.gz XSEBLEVMIQJATH-UWVGGRQHSA-N 1 0 224.304 0.363 10 0 BCAERO C[C@]1(C(=O)N2CC[C@H]3COC[C@H]3C2)CCC[NH2+]1 ZINC000662920224 412345734 /nfs/dbraw/zinc/34/57/34/412345734.db2.gz UQDWMTGJWIANND-DMDPSCGWSA-N 1 0 238.331 0.623 10 0 BCAERO COc1ccnc(N2CCO[C@H]([C@H](C)[NH3+])C2)n1 ZINC000132902646 412348660 /nfs/dbraw/zinc/34/86/60/412348660.db2.gz BXMGEJZMPRIQEC-IUCAKERBSA-N 1 0 238.291 0.038 10 0 BCAERO CC[C@]1(C)NC(=O)N(C[C@@H]2CCC[NH2+]C2)C1=O ZINC000043493736 171722267 /nfs/dbraw/zinc/72/22/67/171722267.db2.gz SKPBXYBPTKTISC-SKDRFNHKSA-N 1 0 239.319 0.707 10 0 BCAERO CN(C(=O)[C@@H]1CCCO1)[C@@H](C[NH3+])C(F)(F)F ZINC000662978684 412362038 /nfs/dbraw/zinc/36/20/38/412362038.db2.gz RKKSFOBBEINTCO-BQBZGAKWSA-N 1 0 240.225 0.513 10 0 BCAERO CCCc1nccnc1N1CCO[C@H](C[NH3+])C1 ZINC000663272933 412404731 /nfs/dbraw/zinc/40/47/31/412404731.db2.gz SVACFGXHJHXOPD-SNVBAGLBSA-N 1 0 236.319 0.593 10 0 BCAERO c1cnc2nc(NCC34CC(C3)C[NH2+]4)ccc2n1 ZINC000663274978 412405126 /nfs/dbraw/zinc/40/51/26/412405126.db2.gz XQODBZFZUBJFAS-UHFFFAOYSA-N 1 0 241.298 0.562 10 0 BCAERO C[NH2+]C[C@@H](C)Nc1ccc(C(=O)N(C)C)cn1 ZINC000663278240 412407359 /nfs/dbraw/zinc/40/73/59/412407359.db2.gz FHKMUSFBOAIBOT-SECBINFHSA-N 1 0 236.319 0.803 10 0 BCAERO C[NH2+]C[C@H](C)Nc1ccc2nccnc2n1 ZINC000663279624 412408244 /nfs/dbraw/zinc/40/82/44/412408244.db2.gz SXEHYGSKFBBDLC-QMMMGPOBSA-N 1 0 217.276 0.418 10 0 BCAERO CC[C@H](C)[C@@H]([NH3+])C(=O)NCC1(CO)CC1 ZINC000133109722 412411505 /nfs/dbraw/zinc/41/15/05/412411505.db2.gz JZIWKYDWSMVTQR-DTWKUNHWSA-N 1 0 214.309 0.249 10 0 BCAERO CCc1csc(N2CCN(CC[NH3+])CC2)n1 ZINC000061894193 171930993 /nfs/dbraw/zinc/93/09/93/171930993.db2.gz OFTGQQAYKLWAMD-UHFFFAOYSA-N 1 0 240.376 0.786 10 0 BCAERO CCc1nc([C@@]2(N)CC[N@@H+](C(C)C)C2)no1 ZINC000045660110 172004252 /nfs/dbraw/zinc/00/42/52/172004252.db2.gz YQUKSLBHFBUWCF-LLVKDONJSA-N 1 0 224.308 0.900 10 0 BCAERO CCc1nccn1C[C@@H]1CC[C@H](C[NH3+])O1 ZINC000052593058 172026553 /nfs/dbraw/zinc/02/65/53/172026553.db2.gz YVTSUYJZVMHVFC-ZJUUUORDSA-N 1 0 209.293 0.952 10 0 BCAERO CCc1nccn1CC[C@H]([NH2+]C1CC1)C(N)=O ZINC000062537337 172026605 /nfs/dbraw/zinc/02/66/05/172026605.db2.gz ONFFHWMPTJAVEW-JTQLQIEISA-N 1 0 236.319 0.442 10 0 BCAERO CCc1nnc(CN2CC[C@@H](CCO)C2)n1C ZINC000336688199 172049608 /nfs/dbraw/zinc/04/96/08/172049608.db2.gz GYNUZPZUGOZGGP-JTQLQIEISA-N 1 0 238.335 0.582 10 0 BCAERO CCc1nnc(CNC(C)(C)C[NH+](C)C)n1C ZINC000338732935 172051686 /nfs/dbraw/zinc/05/16/86/172051686.db2.gz ZVAGJLVIZIECGW-UHFFFAOYSA-N 1 0 239.367 0.807 10 0 BCAERO CCc1nnc(C[NH2+][C@@](C)(CO)C(C)C)n1C ZINC000352877703 172053214 /nfs/dbraw/zinc/05/32/14/172053214.db2.gz CCZMNLSSVAPUDQ-LBPRGKRZSA-N 1 0 240.351 0.874 10 0 BCAERO CCc1nsc(N2C[C@@H](C)[C@@H]([NH3+])C2)n1 ZINC000234169279 172104490 /nfs/dbraw/zinc/10/44/90/172104490.db2.gz MGXYFTQUNYQZAA-RQJHMYQMSA-N 1 0 212.322 0.884 10 0 BCAERO CCn1c(C)nnc1[C@H]([NH3+])Cc1c[nH]cn1 ZINC000042029937 172142065 /nfs/dbraw/zinc/14/20/65/172142065.db2.gz XCOLFUIEOCYJNP-SECBINFHSA-N 1 0 220.280 0.572 10 0 BCAERO CCn1c(=O)[nH]nc1S[C@H]1CC[NH2+]C1 ZINC000061606955 172147628 /nfs/dbraw/zinc/14/76/28/172147628.db2.gz UWMRXVBGWFIVQQ-LURJTMIESA-N 1 0 214.294 0.045 10 0 BCAERO CCn1cc(CN2CCC[C@H]2C[NH3+])cn1 ZINC000020315825 172164560 /nfs/dbraw/zinc/16/45/60/172164560.db2.gz OBPKJMUJAQICPW-NSHDSACASA-N 1 0 208.309 0.826 10 0 BCAERO CCn1cc(C[NH2+][C@H]2CCC(=O)N[C@@H]2C)cn1 ZINC000282224004 172175860 /nfs/dbraw/zinc/17/58/60/172175860.db2.gz FCLPGJCJWPSVCC-KOLCDFICSA-N 1 0 236.319 0.660 10 0 BCAERO CCn1cc(C[C@H]([NH3+])c2cnccn2)cn1 ZINC000050542531 172176631 /nfs/dbraw/zinc/17/66/31/172176631.db2.gz YZHAJAMZEXLPDB-JTQLQIEISA-N 1 0 217.276 0.936 10 0 BCAERO CCn1cc(NC(=O)[C@](C)([NH3+])C2CC2)ccc1=O ZINC000037766009 172184440 /nfs/dbraw/zinc/18/44/40/172184440.db2.gz BEUDGTDSWNDBTJ-CYBMUJFWSA-N 1 0 249.314 0.934 10 0 BCAERO CCn1cc(N[C@H]2CC[N@H+](C)C2)ccc1=O ZINC000061989102 172188162 /nfs/dbraw/zinc/18/81/62/172188162.db2.gz XVRSOOYCWFKZHG-NSHDSACASA-N 1 0 221.304 0.984 10 0 BCAERO CCn1cc([C@](O)(C[NH3+])C(F)(F)F)cn1 ZINC000062784818 172199162 /nfs/dbraw/zinc/19/91/62/172199162.db2.gz CTBZGUACIQHKMJ-SSDOTTSWSA-N 1 0 223.198 0.612 10 0 BCAERO CCn1cccc1C(=O)N1CC[C@H]([NH3+])C1 ZINC000050228127 172202322 /nfs/dbraw/zinc/20/23/22/172202322.db2.gz DAFIHBSCCMIJOA-VIFPVBQESA-N 1 0 207.277 0.681 10 0 BCAERO CCn1cccc1C(=O)N1CC[C@H](C[NH3+])C1 ZINC000050245585 172203222 /nfs/dbraw/zinc/20/32/22/172203222.db2.gz NZEDMFSEDXQAPT-SNVBAGLBSA-N 1 0 221.304 0.929 10 0 BCAERO CCn1cccc1C[NH2+]CCCOCCO ZINC000230784189 172207891 /nfs/dbraw/zinc/20/78/91/172207891.db2.gz PORDQCCATCFODJ-UHFFFAOYSA-N 1 0 226.320 0.997 10 0 BCAERO CCn1ccnc(NC[C@H]2CCC[NH2+]2)c1=O ZINC000061768369 172211603 /nfs/dbraw/zinc/21/16/03/172211603.db2.gz MFMGFJFIJNYNQI-SECBINFHSA-N 1 0 222.292 0.427 10 0 BCAERO CCn1ccnc(N[C@@H]2CC[NH2+]C2)c1=O ZINC000061768282 172211895 /nfs/dbraw/zinc/21/18/95/172211895.db2.gz HLJCORDURINCIJ-MRVPVSSYSA-N 1 0 208.265 0.037 10 0 BCAERO CCn1cc[nH+]c1N[C@@H]1CCS(=O)(=O)C1 ZINC000050608304 172227720 /nfs/dbraw/zinc/22/77/20/172227720.db2.gz AKALFIZWMVIGAC-MRVPVSSYSA-N 1 0 229.305 0.502 10 0 BCAERO CCn1ncnc1CN1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000234230684 172278335 /nfs/dbraw/zinc/27/83/35/172278335.db2.gz ZPVLDMBLCFWKPO-GHMZBOCLSA-N 1 0 237.351 0.857 10 0 BCAERO CN(C(=O)[C@H]1CCCCO1)C(C)(C)C[NH3+] ZINC000082642624 172332760 /nfs/dbraw/zinc/33/27/60/172332760.db2.gz OFJSAPSCGUSIJE-SECBINFHSA-N 1 0 214.309 0.751 10 0 BCAERO CN(C(=O)C[NH3+])c1ccc(F)c(F)c1 ZINC000020262108 172308572 /nfs/dbraw/zinc/30/85/72/172308572.db2.gz QCDQZFJREZEUCT-UHFFFAOYSA-N 1 0 200.188 0.886 10 0 BCAERO CN(C(=O)C[NH3+])c1ccc(F)cc1F ZINC000020262074 172308754 /nfs/dbraw/zinc/30/87/54/172308754.db2.gz NWQPUYOYXASPSL-UHFFFAOYSA-N 1 0 200.188 0.886 10 0 BCAERO CN(C(=O)Cc1c(F)cccc1F)C1C[NH2+]C1 ZINC000095047095 172314678 /nfs/dbraw/zinc/31/46/78/172314678.db2.gz CMALEGBJAGTAEW-UHFFFAOYSA-N 1 0 240.253 0.938 10 0 BCAERO CN(C(=O)[C@@H]([NH3+])C(C)(C)C)C1CCOCC1 ZINC000040461829 172324819 /nfs/dbraw/zinc/32/48/19/172324819.db2.gz FGGZQGWERLJIIL-SNVBAGLBSA-N 1 0 228.336 0.997 10 0 BCAERO CN(C(=O)[C@@H]1CCCOC1)[C@H]1CCC[NH2+]C1 ZINC000054768763 172327500 /nfs/dbraw/zinc/32/75/00/172327500.db2.gz YPFYWSPDUKQZDJ-MNOVXSKESA-N 1 0 226.320 0.623 10 0 BCAERO CN(C(=O)[C@@H]1CC[C@H](C[NH3+])O1)c1cccnc1 ZINC000094572226 172328426 /nfs/dbraw/zinc/32/84/26/172328426.db2.gz SWQSMHBGWOSQIO-MNOVXSKESA-N 1 0 235.287 0.551 10 0 BCAERO CN(C(=O)[C@@H]1CC[C@H](C[NH3+])O1)C1CCC1 ZINC000127381905 172328951 /nfs/dbraw/zinc/32/89/51/172328951.db2.gz OPDTVKKYWHLDAJ-ZJUUUORDSA-N 1 0 212.293 0.504 10 0 BCAERO CN(C(=O)[C@@H]1C[C@H](O)C[NH2+]1)C1CCCC1 ZINC000037092801 172329794 /nfs/dbraw/zinc/32/97/94/172329794.db2.gz ANLXOJWPOUWVML-UWVGGRQHSA-N 1 0 212.293 0.110 10 0 BCAERO CN(C(=O)[C@@](C)([NH3+])C1CC1)C1CCOCC1 ZINC000037479092 172330815 /nfs/dbraw/zinc/33/08/15/172330815.db2.gz IDJDRQXGBPHFPL-LBPRGKRZSA-N 1 0 226.320 0.751 10 0 BCAERO CN(C(=O)[C@H]1CCCCO1)[C@H]1CCC[NH2+]C1 ZINC000050959942 172332855 /nfs/dbraw/zinc/33/28/55/172332855.db2.gz ROYYMAPRCVFGLD-WDEREUQCSA-N 1 0 226.320 0.766 10 0 BCAERO CN(C(=O)[C@H]1CCCOC1)[C@H]1CCC[NH2+]C1 ZINC000054768765 172333733 /nfs/dbraw/zinc/33/37/33/172333733.db2.gz YPFYWSPDUKQZDJ-QWRGUYRKSA-N 1 0 226.320 0.623 10 0 BCAERO CN(C(=O)c1cn[nH]c1)[C@H]1CCC[NH2+]C1 ZINC000037470104 172345450 /nfs/dbraw/zinc/34/54/50/172345450.db2.gz RJWQJEOHTLSEJM-VIFPVBQESA-N 1 0 208.265 0.234 10 0 BCAERO CN(C(=O)c1cnn(C)c1)[C@@H]1CCC[NH2+]C1 ZINC000037470101 172346472 /nfs/dbraw/zinc/34/64/72/172346472.db2.gz NFUXRGZVBPZKKF-SNVBAGLBSA-N 1 0 222.292 0.244 10 0 BCAERO CN(C)C(=O)CCSc1nc(N)cc(N)[nH+]1 ZINC000041023983 172361397 /nfs/dbraw/zinc/36/13/97/172361397.db2.gz WSJLWUJMFFHBFY-UHFFFAOYSA-N 1 0 241.320 0.211 10 0 BCAERO CN(C)C(=O)CN(C)[C@H]1CCC[C@@H]1C[NH3+] ZINC000037270200 172363992 /nfs/dbraw/zinc/36/39/92/172363992.db2.gz YSNHNZKKJOZWCB-ZJUUUORDSA-N 1 0 213.325 0.134 10 0 BCAERO CN(C)C(=O)CN(C)c1cc[nH+]cc1N ZINC000037270815 172364281 /nfs/dbraw/zinc/36/42/81/172364281.db2.gz XNHJIUSTZQOFHO-UHFFFAOYSA-N 1 0 208.265 0.188 10 0 BCAERO CN(C)C(=O)COC[C@H]1CCC[NH2+]C1 ZINC000051815487 172372614 /nfs/dbraw/zinc/37/26/14/172372614.db2.gz HLMSBLVPKMFKPL-VIFPVBQESA-N 1 0 200.282 0.091 10 0 BCAERO CN(C)C(=O)COc1ccc(CC[NH3+])cc1 ZINC000021959998 172373066 /nfs/dbraw/zinc/37/30/66/172373066.db2.gz SKMSXGGFWXIWGE-UHFFFAOYSA-N 1 0 222.288 0.655 10 0 BCAERO CN(C)C(=O)[C@H](C[NH3+])CC1CCOCC1 ZINC000052175783 172385423 /nfs/dbraw/zinc/38/54/23/172385423.db2.gz JDEIHHLVUFHRLG-JTQLQIEISA-N 1 0 214.309 0.466 10 0 BCAERO CN(C)C(=O)c1cc(N(C)[C@H]2CC[NH2+]C2)ccn1 ZINC000071311724 172388240 /nfs/dbraw/zinc/38/82/40/172388240.db2.gz OMCJNXDWEMFRJA-NSHDSACASA-N 1 0 248.330 0.582 10 0 BCAERO CN(C)C(=O)c1cc(N[C@H]2C[C@H]2[NH3+])ccn1 ZINC000036267877 172388355 /nfs/dbraw/zinc/38/83/55/172388355.db2.gz CBFGHSCGTOOOLU-BDAKNGLRSA-N 1 0 220.276 0.295 10 0 BCAERO CN(C)C(=O)c1cccnc1OC1CC[NH2+]CC1 ZINC000012359870 172392464 /nfs/dbraw/zinc/39/24/64/172392464.db2.gz ULMXWDVATMUGAY-UHFFFAOYSA-N 1 0 249.314 0.914 10 0 BCAERO C[NH+](C)C1CCN(C(=O)c2cccc(N)n2)CC1 ZINC000051070835 172405783 /nfs/dbraw/zinc/40/57/83/172405783.db2.gz HRCMCPXNYBMOJS-UHFFFAOYSA-N 1 0 248.330 0.830 10 0 BCAERO C[NH+](C)C[C@@H]1CN(C(=O)c2ccc[nH]2)CCO1 ZINC000116793984 172490280 /nfs/dbraw/zinc/49/02/80/172490280.db2.gz DPDUMQRYVSZZRV-SNVBAGLBSA-N 1 0 237.303 0.417 10 0 BCAERO CN(C)C[C@H]1CCC[N@@H+]1C[C@]1(CO)CCOC1 ZINC000061653996 172495020 /nfs/dbraw/zinc/49/50/20/172495020.db2.gz NTDMCYYZBZMYGT-OLZOCXBDSA-N 1 0 242.363 0.411 10 0 BCAERO CN(CC(=O)c1ccccn1)[C@H]1CCC[NH2+]C1 ZINC000095070700 172620297 /nfs/dbraw/zinc/62/02/97/172620297.db2.gz IKNHKDALWJIOTA-NSHDSACASA-N 1 0 233.315 0.948 10 0 BCAERO CN(C[C@H]1CCCO1)C(=O)C[NH2+]CC1CC1 ZINC000042465908 172828587 /nfs/dbraw/zinc/82/85/87/172828587.db2.gz CGVMMKQJPMXWNE-LLVKDONJSA-N 1 0 226.320 0.623 10 0 BCAERO CN(C[C@H]1CCCO1)C(=O)[C@@]1(C)CC[NH2+]C1 ZINC000062901267 172829606 /nfs/dbraw/zinc/82/96/06/172829606.db2.gz SPYJYYOFTBZLBG-PWSUYJOCSA-N 1 0 226.320 0.623 10 0 BCAERO CN(C[C@H]1CC[NH2+]C1)c1ncc(F)cn1 ZINC000095071217 172833819 /nfs/dbraw/zinc/83/38/19/172833819.db2.gz LAAJCVIPLNMYJE-QMMMGPOBSA-N 1 0 210.256 0.661 10 0 BCAERO CN(Cc1ccccc1C(N)=O)[C@H]1CCC[NH2+]C1 ZINC000104361525 172873103 /nfs/dbraw/zinc/87/31/03/172873103.db2.gz JPURZZTZPMGMFW-LBPRGKRZSA-N 1 0 247.342 0.969 10 0 BCAERO CN(Cc1cccs1)C(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000035717416 172893619 /nfs/dbraw/zinc/89/36/19/172893619.db2.gz MXDYSROYQZQUFU-WPRPVWTQSA-N 1 0 240.328 0.429 10 0 BCAERO CN(Cc1cnn(C)c1)C(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000091546733 172916132 /nfs/dbraw/zinc/91/61/32/172916132.db2.gz JDYUXUQUHYSFRD-QWRGUYRKSA-N 1 0 236.319 0.506 10 0 BCAERO CN1CC(=O)N(C[C@@H]2CCCC[NH2+]2)C1=O ZINC000043494272 172974685 /nfs/dbraw/zinc/97/46/85/172974685.db2.gz IJNVMPVOVLVRAC-QMMMGPOBSA-N 1 0 211.265 0.023 10 0 BCAERO C[NH+]1CCC(NC(=O)c2cc(N)c[nH]2)CC1 ZINC000036862945 172992706 /nfs/dbraw/zinc/99/27/06/172992706.db2.gz SBHGXFGFOAYXTJ-UHFFFAOYSA-N 1 0 222.292 0.421 10 0 BCAERO C[NH+](C)[C@H](C(=O)[O-])C1CC[NH+](C)CC1 ZINC000082383147 173000563 /nfs/dbraw/zinc/00/05/63/173000563.db2.gz VRKIKTAEVKUCRZ-VIFPVBQESA-N 1 0 200.282 0.343 10 0 BCAERO C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc(N)ccn1 ZINC000050708171 173004256 /nfs/dbraw/zinc/00/42/56/173004256.db2.gz VUPBFEYLDFVWPN-LLVKDONJSA-N 1 0 248.330 0.878 10 0 BCAERO CN1CCCC[C@H]1C[NH2+]Cc1cnc[nH]1 ZINC000054765264 173009667 /nfs/dbraw/zinc/00/96/67/173009667.db2.gz CUEHOAMBOYSIOT-NSHDSACASA-N 1 0 208.309 0.984 10 0 BCAERO C[N@@H+]1CCCC[C@H]1CNC(=O)c1cc(N)ccn1 ZINC000050708172 173010208 /nfs/dbraw/zinc/01/02/08/173010208.db2.gz VUPBFEYLDFVWPN-NSHDSACASA-N 1 0 248.330 0.878 10 0 BCAERO CN1CCCC[C@H]1C[NH2+]C(C)(C)CO ZINC000054240426 173010788 /nfs/dbraw/zinc/01/07/88/173010788.db2.gz KJLRIBCXJQBOQV-JTQLQIEISA-N 1 0 200.326 0.831 10 0 BCAERO C[N@@H+]1CCC[C@H]1CCN1CCO[C@@H](CO)C1 ZINC000336667726 173053248 /nfs/dbraw/zinc/05/32/48/173053248.db2.gz GUPFWWUNIXICCB-NWDGAFQWSA-N 1 0 228.336 0.164 10 0 BCAERO CN1CCN(C(=O)C[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000055122115 173067948 /nfs/dbraw/zinc/06/79/48/173067948.db2.gz RBNRVHGFKGSNFS-NEPJUHHUSA-N 1 0 239.363 0.668 10 0 BCAERO CN1CCN(C(=O)C[C@@H]2CCCC[NH2+]2)CC1 ZINC000020597461 173068178 /nfs/dbraw/zinc/06/81/78/173068178.db2.gz IFRZKKVVPJHYGX-NSHDSACASA-N 1 0 225.336 0.293 10 0 BCAERO CN1CCN(C(=O)[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000055085919 173072155 /nfs/dbraw/zinc/07/21/55/173072155.db2.gz LTIWWGADTVOTEV-QWRGUYRKSA-N 1 0 225.336 0.278 10 0 BCAERO CN1CCO[C@H](CN[C@@H]2CCn3ccnc32)C1 ZINC000294167304 173108547 /nfs/dbraw/zinc/10/85/47/173108547.db2.gz RFNYWBNMRRXVDJ-GHMZBOCLSA-N 1 0 236.319 0.248 10 0 BCAERO C[N@H+](C[C@@H]1CC[NH+](C)C1)CC1(O)CCC1 ZINC000336647680 173113908 /nfs/dbraw/zinc/11/39/08/173113908.db2.gz MYLASUGJYUOSBX-LLVKDONJSA-N 1 0 212.337 0.785 10 0 BCAERO Cn1nccc1CNC[C@@H]1CC[N@H+](C)C1 ZINC000037484826 173118383 /nfs/dbraw/zinc/11/83/83/173118383.db2.gz VRRBMMFTSGLWRJ-JTQLQIEISA-N 1 0 208.309 0.461 10 0 BCAERO CN1CC[C@@H]([NH2+]CCc2cccnc2)C1 ZINC000061988956 173123881 /nfs/dbraw/zinc/12/38/81/173123881.db2.gz ZEVXBOGNQHSIAG-GFCCVEGCSA-N 1 0 205.305 0.918 10 0 BCAERO C[N@@H+]1CC[C@@H](NC(=O)c2ccc(N)cc2N)C1 ZINC000042543660 173124271 /nfs/dbraw/zinc/12/42/71/173124271.db2.gz POSBTUVFKLKFJC-SECBINFHSA-N 1 0 234.303 0.285 10 0 BCAERO CN1CC[C@@H]([NH2+]CCc2nnc3ccccn32)C1 ZINC000061984762 173124786 /nfs/dbraw/zinc/12/47/86/173124786.db2.gz JJARRXSYHLABGV-LLVKDONJSA-N 1 0 245.330 0.566 10 0 BCAERO C[N@@H+]1CC[C@@H](Nc2cc3c(cc2N)CC(=O)N3)C1 ZINC000042545042 173125095 /nfs/dbraw/zinc/12/50/95/173125095.db2.gz OCZZJOGQFVOQHG-SECBINFHSA-N 1 0 246.314 0.879 10 0 BCAERO C[N@@H+]1CC[C@@H](Nc2ccc(N)c3nonc32)C1 ZINC000042545062 173125846 /nfs/dbraw/zinc/12/58/46/173125846.db2.gz BOGTYAWHRZVETB-SSDOTTSWSA-N 1 0 233.275 0.921 10 0 BCAERO C[N@@H+]1CC[C@@H](Nc2ncnc(Cl)c2N)C1 ZINC000062363323 173127974 /nfs/dbraw/zinc/12/79/74/173127974.db2.gz NYEZKEACIYOTTD-ZCFIWIBFSA-N 1 0 227.699 0.828 10 0 BCAERO C[N@@H+]1CC[C@@H](Nc2nnnn2-c2ccccc2)C1 ZINC000042548208 173128154 /nfs/dbraw/zinc/12/81/54/173128154.db2.gz RWSGSWQFJKRZPB-SNVBAGLBSA-N 1 0 244.302 0.778 10 0 BCAERO CN1CC[C@@](CO)([NH2+]Cc2cccs2)C1 ZINC000061992210 173135565 /nfs/dbraw/zinc/13/55/65/173135565.db2.gz BQGLDFPWDOMQHR-LLVKDONJSA-N 1 0 226.345 0.904 10 0 BCAERO CN1CC[C@@](CO)([NH2+]C2CCCCC2)C1 ZINC000061992080 173136081 /nfs/dbraw/zinc/13/60/81/173136081.db2.gz VMCOIUKZTZPXDE-GFCCVEGCSA-N 1 0 212.337 0.975 10 0 BCAERO CN(C[C@H]1CC[N@H+](C)C1)C(=O)c1ccc(=O)[nH]c1 ZINC000071190645 173142830 /nfs/dbraw/zinc/14/28/30/173142830.db2.gz FWRYBRMQGKVIAX-JTQLQIEISA-N 1 0 249.314 0.399 10 0 BCAERO CN1CC[C@H]([N@@H+]2CCC[C@@H](c3nnc[nH]3)C2)C1=O ZINC000328635539 173149999 /nfs/dbraw/zinc/14/99/99/173149999.db2.gz CCJMNFKCGWWCNY-ZJUUUORDSA-N 1 0 249.318 0.215 10 0 BCAERO CN1CC[C@H]([NH2+]CC(=O)NC2CCCCC2)C1 ZINC000042547652 173152061 /nfs/dbraw/zinc/15/20/61/173152061.db2.gz MSQMNQASLGCFPL-LBPRGKRZSA-N 1 0 239.363 0.729 10 0 BCAERO CN(Cc1ccco1)[C@@]1(C[NH3+])CCN(C)C1 ZINC000061990239 173162106 /nfs/dbraw/zinc/16/21/06/173162106.db2.gz SMYZHTMDPJLQMJ-GFCCVEGCSA-N 1 0 223.320 0.744 10 0 BCAERO C[N@@H+]1CC[C@](Nc2ccc(F)cc2)(C(N)=O)C1 ZINC000061990986 173163274 /nfs/dbraw/zinc/16/32/74/173163274.db2.gz DQHQILPTSDOGMI-GFCCVEGCSA-N 1 0 237.278 0.797 10 0 BCAERO CN1C[C@H]([NH3+])C[C@@H]1CNC(=O)OC(C)(C)C ZINC000082348653 173192447 /nfs/dbraw/zinc/19/24/47/173192447.db2.gz OFFFXPOKIIWUMA-RKDXNWHRSA-N 1 0 229.324 0.543 10 0 BCAERO CNC(=O)C1CC[NH+](C[C@@H](C)C(=O)OC)CC1 ZINC000042228651 173224590 /nfs/dbraw/zinc/22/45/90/173224590.db2.gz URMZYDXVPNETOU-SECBINFHSA-N 1 0 242.319 0.254 10 0 BCAERO CNC(=O)CCOc1cccc(C[NH3+])c1 ZINC000051756507 173262077 /nfs/dbraw/zinc/26/20/77/173262077.db2.gz QWWOXFPJSHCUDR-UHFFFAOYSA-N 1 0 208.261 0.660 10 0 BCAERO CNC(=O)CCOC1CCC([NH3+])CC1 ZINC000055143203 173262163 /nfs/dbraw/zinc/26/21/63/173262163.db2.gz WRHGMLHHDYCVHH-UHFFFAOYSA-N 1 0 200.282 0.409 10 0 BCAERO CNC(=O)CN(C)C(=O)C[C@H]1CCCC[C@H]1[NH3+] ZINC000055126742 173264093 /nfs/dbraw/zinc/26/40/93/173264093.db2.gz UOYBWHGFVZSSJS-NXEZZACHSA-N 1 0 241.335 0.098 10 0 BCAERO CNC(=O)CN1[C@@H]2CCC[C@H]1CC([NH3+])C2 ZINC000054601947 173275366 /nfs/dbraw/zinc/27/53/66/173275366.db2.gz IRGHQRDRMQIGNI-PBINXNQUSA-N 1 0 211.309 0.077 10 0 BCAERO CNC(=O)CNC(=O)Nc1cccc(C[NH3+])c1 ZINC000037225110 173276076 /nfs/dbraw/zinc/27/60/76/173276076.db2.gz HMRZTIAFCRNEAU-UHFFFAOYSA-N 1 0 236.275 0.013 10 0 BCAERO CNC(=O)COc1cc(F)ccc1[C@H](C)[NH3+] ZINC000062745920 173279410 /nfs/dbraw/zinc/27/94/10/173279410.db2.gz JWBDYNUHOKVEEE-ZETCQYMHSA-N 1 0 226.251 0.970 10 0 BCAERO CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCC[C@H](C)C1 ZINC000037255240 173288777 /nfs/dbraw/zinc/28/87/77/173288777.db2.gz TZGHWHQHZWMSSN-LPEHRKFASA-N 1 0 241.335 0.999 10 0 BCAERO CNC(=O)NC(=O)[C@H](C)[NH2+]Cc1cccnc1 ZINC000020302872 173288957 /nfs/dbraw/zinc/28/89/57/173288957.db2.gz PAZNTSHHJIEUGD-QMMMGPOBSA-N 1 0 236.275 0.015 10 0 BCAERO CNC(=O)[C@@H](C)[NH2+]CCc1ccc(OC)cc1 ZINC000020308458 173295184 /nfs/dbraw/zinc/29/51/84/173295184.db2.gz DVVXIRCKNUUBFA-SNVBAGLBSA-N 1 0 236.315 0.962 10 0 BCAERO CNC(=O)[C@@H]1CCCCN1C(=O)[C@H]([NH3+])C(C)C ZINC000037810766 173297931 /nfs/dbraw/zinc/29/79/31/173297931.db2.gz DSXBRBBISAMTQP-VHSXEESVSA-N 1 0 241.335 0.097 10 0 BCAERO CNC(=O)[C@@H]1CCC[N@H+](C[C@H](C)C(=O)OC)C1 ZINC000300028191 173298027 /nfs/dbraw/zinc/29/80/27/173298027.db2.gz ILHOEZUQFGMNJC-VHSXEESVSA-N 1 0 242.319 0.254 10 0 BCAERO CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CC(C)C ZINC000037826691 173298420 /nfs/dbraw/zinc/29/84/20/173298420.db2.gz MXLFUTCFGWKVNE-UWVGGRQHSA-N 1 0 241.335 0.097 10 0 BCAERO CNC(=O)[C@H](C)N1CC[NH2+]Cc2ccccc21 ZINC000062818970 173301639 /nfs/dbraw/zinc/30/16/39/173301639.db2.gz RAEGDWNKWSKDFX-JTQLQIEISA-N 1 0 233.315 0.731 10 0 BCAERO CNC(=O)[C@H](C)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037918154 173301836 /nfs/dbraw/zinc/30/18/36/173301836.db2.gz IXYZUWCOWBPMSQ-SRVKXCTJSA-N 1 0 239.363 0.585 10 0 BCAERO CNC(=O)[C@H](C)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000020310244 173302393 /nfs/dbraw/zinc/30/23/93/173302393.db2.gz MRJYPARXZXQOMG-RYUDHWBXSA-N 1 0 241.379 0.975 10 0 BCAERO CNC(=O)[C@H](C)[NH2+]C1(CO)CCCCC1 ZINC000053097292 173302637 /nfs/dbraw/zinc/30/26/37/173302637.db2.gz VAXJBMCGZMLTHJ-VIFPVBQESA-N 1 0 214.309 0.406 10 0 BCAERO CNC(=O)[C@H](C)[NH2+]Cc1ccccc1C(N)=O ZINC000042569935 173302816 /nfs/dbraw/zinc/30/28/16/173302816.db2.gz YTFGDTQKVXGAAS-QMMMGPOBSA-N 1 0 235.287 0.010 10 0 BCAERO CNC(=O)[C@H](C)[NH2+]Cc1cc(C)n(C)c1C ZINC000052790454 173303244 /nfs/dbraw/zinc/30/32/44/173303244.db2.gz FVGBRTGITZZOJG-VIFPVBQESA-N 1 0 223.320 0.866 10 0 BCAERO CNC(=O)[C@H](C)n1c(N)[nH+]c2ccccc21 ZINC000049100236 173304235 /nfs/dbraw/zinc/30/42/35/173304235.db2.gz FLYHJTKRQPDRAY-ZETCQYMHSA-N 1 0 218.260 0.926 10 0 BCAERO CNC(=O)[C@H]1CCC[N@@H+]1C[C@H](C)C(=O)OC ZINC000042394920 173307010 /nfs/dbraw/zinc/30/70/10/173307010.db2.gz TYYDMXITELKHQJ-DTWKUNHWSA-N 1 0 228.292 0.006 10 0 BCAERO CNC(=O)[C@H]1CCC[N@@H+]1C[C@@H](C)C(=O)OC ZINC000042394925 173307458 /nfs/dbraw/zinc/30/74/58/173307458.db2.gz TYYDMXITELKHQJ-RKDXNWHRSA-N 1 0 228.292 0.006 10 0 BCAERO CNC(=O)[C@H]1Cc2c([nH]c3ccccc32)C[NH2+]1 ZINC000073734303 173308344 /nfs/dbraw/zinc/30/83/44/173308344.db2.gz NHZOCYMIGONJLH-LLVKDONJSA-N 1 0 229.283 0.928 10 0 BCAERO CNC(=O)c1cc(N2CCC[NH2+]CC2)ccn1 ZINC000035673553 173309390 /nfs/dbraw/zinc/30/93/90/173309390.db2.gz AXJZHGTWVLWMGU-UHFFFAOYSA-N 1 0 234.303 0.241 10 0 BCAERO CNC(=O)c1ccc(NC(=O)[C@@H](C)[NH3+])c(C)c1 ZINC000037004169 173310932 /nfs/dbraw/zinc/31/09/32/173310932.db2.gz FUJGMIFRRKIXSS-MRVPVSSYSA-N 1 0 235.287 0.640 10 0 BCAERO CNC(=O)c1ccc(NC(=O)[C@@H]2CCC[NH2+]2)cc1 ZINC000035053833 173310948 /nfs/dbraw/zinc/31/09/48/173310948.db2.gz ALIZIZCWJRPFIY-NSHDSACASA-N 1 0 247.298 0.737 10 0 BCAERO CNC(=O)c1ccc(N[C@H]2CCC[C@H]2C[NH3+])nn1 ZINC000095013502 173311108 /nfs/dbraw/zinc/31/11/08/173311108.db2.gz FPOXXBMOZBHTPO-IUCAKERBSA-N 1 0 249.318 0.376 10 0 BCAERO CNC(=O)c1nc(C[NH3+])ccc1OC1CC1 ZINC000095737983 173313980 /nfs/dbraw/zinc/31/39/80/173313980.db2.gz DFDKBLBDMSWZLM-UHFFFAOYSA-N 1 0 221.260 0.441 10 0 BCAERO C[NH2+]C(C)(C)C(=O)N(C)C[C@@H]1CCCO1 ZINC000061318807 173317413 /nfs/dbraw/zinc/31/74/13/173317413.db2.gz GCDIAOITTSHDFN-VIFPVBQESA-N 1 0 214.309 0.622 10 0 BCAERO C[NH2+]C(C)(C)C(=O)N1CCCOCC1 ZINC000061920458 173317934 /nfs/dbraw/zinc/31/79/34/173317934.db2.gz FWIPPEHWCPMUEJ-UHFFFAOYSA-N 1 0 200.282 0.233 10 0 BCAERO C[NH2+]C(C)(C)C(=O)NCc1cnn(C)c1 ZINC000061318771 173318205 /nfs/dbraw/zinc/31/82/05/173318205.db2.gz KZPDKQJJRKGIOD-UHFFFAOYSA-N 1 0 210.281 0.034 10 0 BCAERO C[NH2+]C(C)(C)C(=O)N[C@@H](C)[C@H]1CCCO1 ZINC000061300454 173318446 /nfs/dbraw/zinc/31/84/46/173318446.db2.gz PXXDACXRJRVOTB-DTWKUNHWSA-N 1 0 214.309 0.668 10 0 BCAERO C[NH2+]C(C)(C)C(=O)N1CCn2ccnc2C1 ZINC000062254510 173318600 /nfs/dbraw/zinc/31/86/00/173318600.db2.gz KAXYGHZKHQQRPU-UHFFFAOYSA-N 1 0 222.292 0.223 10 0 BCAERO C[NH2+]C(C)(C)C(=O)NCc1cccc(C(N)=O)c1 ZINC000061318466 173318643 /nfs/dbraw/zinc/31/86/43/173318643.db2.gz HFEJCKVXJHNEPI-UHFFFAOYSA-N 1 0 249.314 0.400 10 0 BCAERO C[NH2+]C(C)(C)CN[C@@]1(C)CCS(=O)(=O)C1 ZINC000061319788 173319303 /nfs/dbraw/zinc/31/93/03/173319303.db2.gz IYEZKQTWIZQARH-JTQLQIEISA-N 1 0 234.365 0.151 10 0 BCAERO C[NH2+]C(C)(C)c1nc(-c2ncccn2)no1 ZINC000061151387 173321247 /nfs/dbraw/zinc/32/12/47/173321247.db2.gz OECGSARUJLMDTL-UHFFFAOYSA-N 1 0 219.248 0.981 10 0 BCAERO C[NH2+]C1CCN(C(=O)c2cc[nH]n2)CC1 ZINC000062775012 173322521 /nfs/dbraw/zinc/32/25/21/173322521.db2.gz OAEZPAFXQARZJB-UHFFFAOYSA-N 1 0 208.265 0.234 10 0 BCAERO C[NH2+]C1CCN(C(=O)c2cccnc2)CC1 ZINC000037469219 173322932 /nfs/dbraw/zinc/32/29/32/173322932.db2.gz FKSMVRKSIIMRNE-UHFFFAOYSA-N 1 0 219.288 0.906 10 0 BCAERO C[NH2+]C1CCN(CC(=O)N(C)C(C)C)CC1 ZINC000037469301 173323112 /nfs/dbraw/zinc/32/31/12/173323112.db2.gz CKJJGDCZJRJRRP-UHFFFAOYSA-N 1 0 227.352 0.537 10 0 BCAERO C[NH2+]C1CCN(C(=O)c2cnccn2)CC1 ZINC000095071520 173323422 /nfs/dbraw/zinc/32/34/22/173323422.db2.gz JKLPNEPCYRIWIG-UHFFFAOYSA-N 1 0 220.276 0.301 10 0 BCAERO C[NH2+]C1CCN(C(=O)c2ccncc2)CC1 ZINC000037469218 173323469 /nfs/dbraw/zinc/32/34/69/173323469.db2.gz IYWRNAONDXLUGC-UHFFFAOYSA-N 1 0 219.288 0.906 10 0 BCAERO C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(C)(C)C(N)=O ZINC000054629191 173323662 /nfs/dbraw/zinc/32/36/62/173323662.db2.gz QHOHDTCDMSRNKK-PBINXNQUSA-N 1 0 225.336 0.465 10 0 BCAERO C[NH2+]C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C ZINC000054627988 173323917 /nfs/dbraw/zinc/32/39/17/173323917.db2.gz ITMCDHBJAIEVSQ-FGWVZKOKSA-N 1 0 225.336 0.289 10 0 BCAERO C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2CCNC(C)=O ZINC000054602042 173324221 /nfs/dbraw/zinc/32/42/21/173324221.db2.gz HUAAJBPZFDLLOP-YHWZYXNKSA-N 1 0 239.363 0.727 10 0 BCAERO C[NH2+]CC(=O)N1CCN(Cc2ccco2)CC1 ZINC000037802837 173326124 /nfs/dbraw/zinc/32/61/24/173326124.db2.gz SISKFRTWNVRMKH-UHFFFAOYSA-N 1 0 237.303 0.143 10 0 BCAERO C[NH2+]CC(=O)N1CCC[C@@H]1Cn1ccnc1 ZINC000193132259 173326382 /nfs/dbraw/zinc/32/63/82/173326382.db2.gz KLSCCLMTZFRIFL-SNVBAGLBSA-N 1 0 222.292 0.094 10 0 BCAERO C[NH2+]CC(=O)N[C@@H]1CCC[C@H]1n1ccnc1 ZINC000037045831 173331209 /nfs/dbraw/zinc/33/12/09/173331209.db2.gz VXMVXISCNPEJSI-NXEZZACHSA-N 1 0 222.292 0.312 10 0 BCAERO C[NH2+]CC(=O)N[C@@H](C)c1cccc(O)c1 ZINC000037005188 173331948 /nfs/dbraw/zinc/33/19/48/173331948.db2.gz GQHGBQKKBNMFQI-QMMMGPOBSA-N 1 0 208.261 0.789 10 0 BCAERO C[NH2+]CC(=O)N[C@@]1(CO)CCC[C@H](C)C1 ZINC000053127874 173331958 /nfs/dbraw/zinc/33/19/58/173331958.db2.gz JPRURPHDLDDJCO-ONGXEEELSA-N 1 0 214.309 0.263 10 0 BCAERO C[NH2+]CC(=O)N[C@H](COC)c1ccc(C)o1 ZINC000193131818 173332434 /nfs/dbraw/zinc/33/24/34/173332434.db2.gz CSIOEGRYVHEIQD-SECBINFHSA-N 1 0 226.276 0.611 10 0 BCAERO C[NH2+]CC(=O)N[C@H]1CCO[C@@H]1c1ccccc1 ZINC000161622407 173332550 /nfs/dbraw/zinc/33/25/50/173332550.db2.gz IQOMVAJSNXHZGD-WCQYABFASA-N 1 0 234.299 0.852 10 0 BCAERO C[NH2+]CC(=O)Nc1ccc(-n2cccn2)nc1 ZINC000037026521 173334300 /nfs/dbraw/zinc/33/43/00/173334300.db2.gz HDTYKIHXNPGAKH-UHFFFAOYSA-N 1 0 231.259 0.425 10 0 BCAERO C[NH2+]CC(=O)c1cccc2c1OCCO2 ZINC000082933671 173337078 /nfs/dbraw/zinc/33/70/78/173337078.db2.gz AGXWSXCMOJMRNS-UHFFFAOYSA-N 1 0 207.229 0.860 10 0 BCAERO C[NH2+]CC(C)(C)[C@H]1CCS(=O)(=O)C1 ZINC000054637867 173337486 /nfs/dbraw/zinc/33/74/86/173337486.db2.gz BEOKGMYHUVYNCO-QMMMGPOBSA-N 1 0 205.323 0.667 10 0 BCAERO C[NH2+]CC1=CC2=CC=C[C@H]3CCN(C1=O)[C@H]23 ZINC000039287544 173338363 /nfs/dbraw/zinc/33/83/63/173338363.db2.gz AVDHPJYRKBVCMZ-CABZTGNLSA-N 1 0 216.284 0.859 10 0 BCAERO C[NH2+]CC1CCN(C(=O)[C@H](C)COC)CC1 ZINC000237314374 173338447 /nfs/dbraw/zinc/33/84/47/173338447.db2.gz JZHXYXQLYWTQCY-SNVBAGLBSA-N 1 0 228.336 0.727 10 0 BCAERO C[NH2+]CC1CCN(C(=O)c2cnn(C)c2)CC1 ZINC000063159406 173338784 /nfs/dbraw/zinc/33/87/84/173338784.db2.gz YVGPJPKKVGMPCC-UHFFFAOYSA-N 1 0 236.319 0.492 10 0 BCAERO C[NH2+]CCCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000104343497 173347202 /nfs/dbraw/zinc/34/72/02/173347202.db2.gz BIGSPBBQYIHSJP-AOOOYVTPSA-N 1 0 222.288 0.547 10 0 BCAERO C[NH2+]CCCN(C1CC1)S(C)(=O)=O ZINC000076583785 173347481 /nfs/dbraw/zinc/34/74/81/173347481.db2.gz CTJLEUCCXJFBPV-UHFFFAOYSA-N 1 0 206.311 0.020 10 0 BCAERO C[NH2+]CCN1c2ccc(F)cc2C(=O)C1=O ZINC000042410172 173354666 /nfs/dbraw/zinc/35/46/66/173354666.db2.gz GHQFMAFNKATFQU-UHFFFAOYSA-N 1 0 222.219 0.574 10 0 BCAERO C[NH2+]CCNC(=O)c1cnn2c1nc(C)cc2C ZINC000054244409 173355966 /nfs/dbraw/zinc/35/59/66/173355966.db2.gz IEOXBGQYEGRRPF-UHFFFAOYSA-N 1 0 247.302 0.295 10 0 BCAERO C[NH2+]CCOCCc1ccc2oc(=O)[nH]c2c1 ZINC000077372316 173356925 /nfs/dbraw/zinc/35/69/25/173356925.db2.gz HBGOSHSTXKGHQX-UHFFFAOYSA-N 1 0 236.271 0.900 10 0 BCAERO C[NH2+]CCS(=O)(=O)N1CCC[C@@H](C)C1 ZINC000049629850 173357527 /nfs/dbraw/zinc/35/75/27/173357527.db2.gz YUWWLBOISZRZRF-SECBINFHSA-N 1 0 220.338 0.268 10 0 BCAERO C[NH2+]CCS(=O)(=O)N1[C@H](C)CCC[C@H]1C ZINC000049630051 173357630 /nfs/dbraw/zinc/35/76/30/173357630.db2.gz OWJPNCTVRJGZNZ-NXEZZACHSA-N 1 0 234.365 0.799 10 0 BCAERO C[NH2+]CCc1noc(-c2cccnc2)n1 ZINC000051850761 173361879 /nfs/dbraw/zinc/36/18/79/173361879.db2.gz LXMDSEOHOQAAMC-UHFFFAOYSA-N 1 0 204.233 0.894 10 0 BCAERO C[NH2+]C[C@@H](O)c1c(OC)cc(OC)cc1OC ZINC000055027431 173365397 /nfs/dbraw/zinc/36/53/97/173365397.db2.gz HSLNRUMCFVZRCE-SECBINFHSA-N 1 0 241.287 0.965 10 0 BCAERO C[NH2+]C[C@@H](O)c1cccc(NS(C)(=O)=O)c1 ZINC000049902433 173365958 /nfs/dbraw/zinc/36/59/58/173365958.db2.gz ZHOWHMXTJFZXRB-SNVBAGLBSA-N 1 0 244.316 0.311 10 0 in-man BCAERO C[NH2+]C[C@@H]1CCCCN1c1nccn1C ZINC000053706775 173367224 /nfs/dbraw/zinc/36/72/24/173367224.db2.gz YVFODQZKHIWGKK-JTQLQIEISA-N 1 0 208.309 0.998 10 0 BCAERO C[NH2+]C[C@@H]1CCCN(c2nccn2C)C1 ZINC000050606840 173367614 /nfs/dbraw/zinc/36/76/14/173367614.db2.gz WSYAOVMOAQCVBU-JTQLQIEISA-N 1 0 208.309 0.856 10 0 BCAERO C[NH2+]C[C@@H]1CCCN1c1ccnc(C(N)=O)c1 ZINC000133326683 173369961 /nfs/dbraw/zinc/36/99/61/173369961.db2.gz BLRWFENLWMQVHG-JTQLQIEISA-N 1 0 234.303 0.369 10 0 BCAERO C[NH2+]C[C@@H]1CC[C@H](Cn2cc(C)cn2)O1 ZINC000052576977 173371489 /nfs/dbraw/zinc/37/14/89/173371489.db2.gz BAQQKCNECSNFHH-WDEREUQCSA-N 1 0 209.293 0.959 10 0 BCAERO C[NH2+]C[C@@H]1CN(CCC(C)C)CCO1 ZINC000071508095 173371865 /nfs/dbraw/zinc/37/18/65/173371865.db2.gz NYEWWVRTAGCWBB-LLVKDONJSA-N 1 0 200.326 0.953 10 0 BCAERO C[NH2+]C[C@@H]1CC[C@@H](Cn2nc(C)nc2C)O1 ZINC000052574472 173372086 /nfs/dbraw/zinc/37/20/86/173372086.db2.gz ODWVXHHPSRKTFM-QWRGUYRKSA-N 1 0 224.308 0.662 10 0 BCAERO C[NH2+]C[C@H](C)n1nnc(-c2ccco2)n1 ZINC000053539189 173376244 /nfs/dbraw/zinc/37/62/44/173376244.db2.gz QCGHMKYJYASMEA-ZETCQYMHSA-N 1 0 207.237 0.714 10 0 BCAERO C[NH2+]C[C@H](O)CS(=O)(=O)c1ccc(C)cc1 ZINC000019685781 173376619 /nfs/dbraw/zinc/37/66/19/173376619.db2.gz BSFKIIZWLCMPNP-JTQLQIEISA-N 1 0 243.328 0.349 10 0 BCAERO C[NH2+]C[C@H](O)Cn1c2ccccc2oc1=O ZINC000019864419 173376795 /nfs/dbraw/zinc/37/67/95/173376795.db2.gz WDPYWOYTLIVSAH-QMMMGPOBSA-N 1 0 222.244 0.175 10 0 BCAERO C[NH2+]C[C@H](O)Cc1cc(OC)ccc1OC ZINC000041245656 173376839 /nfs/dbraw/zinc/37/68/39/173376839.db2.gz YQSVHTJLARKMQY-SNVBAGLBSA-N 1 0 225.288 0.827 10 0 BCAERO C[NH2+]C[C@H](O)COCCc1ccccc1 ZINC000034958240 173376962 /nfs/dbraw/zinc/37/69/62/173376962.db2.gz RWZKDGVHCXVUMD-LBPRGKRZSA-N 1 0 209.289 0.826 10 0 BCAERO C[NH2+]C[C@H]1CCCCN1CC[C@@H](C)O ZINC000134118979 173378137 /nfs/dbraw/zinc/37/81/37/173378137.db2.gz LXUJQOCAZGQSBH-GHMZBOCLSA-N 1 0 200.326 0.831 10 0 BCAERO C[NH2+]C[C@H]1CCCN1c1ncc(C)cn1 ZINC000063049352 173381101 /nfs/dbraw/zinc/38/11/01/173381101.db2.gz SOGOZNQPTXQRFS-SNVBAGLBSA-N 1 0 206.293 0.973 10 0 BCAERO C[NH2+]C[C@H]1CCN(c2cc(C)nc3ncnn32)C1 ZINC000071148125 173381975 /nfs/dbraw/zinc/38/19/75/173381975.db2.gz NIGMEYAJDDEEHK-SNVBAGLBSA-N 1 0 246.318 0.478 10 0 BCAERO C[NH2+]Cc1cc(CN2CCSCC2)on1 ZINC000052425571 173387574 /nfs/dbraw/zinc/38/75/74/173387574.db2.gz HFYBSNOOEHITDF-UHFFFAOYSA-N 1 0 227.333 0.943 10 0 BCAERO C[NH2+]Cc1ccc(OCCN2CCNC2=O)cc1 ZINC000034657477 173388607 /nfs/dbraw/zinc/38/86/07/173388607.db2.gz DHDUJKKVZCWOJP-UHFFFAOYSA-N 1 0 249.314 0.810 10 0 BCAERO C[NH2+]Cc1ccc(O[C@H](C)C(N)=O)c(OC)c1 ZINC000034816809 173388878 /nfs/dbraw/zinc/38/88/78/173388878.db2.gz UOSXSBGOBTVXED-MRVPVSSYSA-N 1 0 238.287 0.667 10 0 BCAERO C[NH2+]Cc1cccc(N2CCCS2(=O)=O)c1 ZINC000041054441 173389615 /nfs/dbraw/zinc/38/96/15/173389615.db2.gz ASNRJXHANRKHSA-UHFFFAOYSA-N 1 0 240.328 0.946 10 0 BCAERO C[NH2+]Cc1ccnc(C[C@H]2CCCO2)n1 ZINC000054791184 173391744 /nfs/dbraw/zinc/39/17/44/173391744.db2.gz JVVYAGQABDPULM-SNVBAGLBSA-N 1 0 207.277 0.918 10 0 BCAERO C[NH2+]Cc1cnn([C@@H]2CCC[C@@H]2O)c1C ZINC000054599551 173393729 /nfs/dbraw/zinc/39/37/29/173393729.db2.gz DLVPXCBDHXHGBI-MNOVXSKESA-N 1 0 209.293 0.997 10 0 BCAERO C[NH2+]Cc1nc(CN2CCOCC2)cs1 ZINC000052377640 173395167 /nfs/dbraw/zinc/39/51/67/173395167.db2.gz ADKCCNXVJRBYPU-UHFFFAOYSA-N 1 0 227.333 0.695 10 0 BCAERO C[NH2+]Cc1nccn1Cc1ncccn1 ZINC000054461547 173397613 /nfs/dbraw/zinc/39/76/13/173397613.db2.gz HDNICERLVACXAM-UHFFFAOYSA-N 1 0 203.249 0.441 10 0 BCAERO C[NH2+]Cc1nnnn1-c1cc(C)ccc1C ZINC000054744185 173398261 /nfs/dbraw/zinc/39/82/61/173398261.db2.gz DBGXUHRLHAKRLM-UHFFFAOYSA-N 1 0 217.276 0.999 10 0 BCAERO C[NH2+]Cc1nnnn1Cc1cccc(C)c1 ZINC000054746283 173398438 /nfs/dbraw/zinc/39/84/38/173398438.db2.gz OVZUJAXBGJHDKH-UHFFFAOYSA-N 1 0 217.276 0.749 10 0 BCAERO C[NH2+]Cc1nnnn1-c1cc(F)cc(F)c1 ZINC000054744590 173398527 /nfs/dbraw/zinc/39/85/27/173398527.db2.gz RYQCPZRUELTLOS-UHFFFAOYSA-N 1 0 225.202 0.660 10 0 BCAERO C[NH2+]Cc1nnnn1-c1cc(F)cc(F)c1F ZINC000061122768 173398821 /nfs/dbraw/zinc/39/88/21/173398821.db2.gz RGOXMJLIQDVLKG-UHFFFAOYSA-N 1 0 243.192 0.799 10 0 BCAERO C[NH2+]Cc1nnnn1-c1ccc2c(c1)OCCO2 ZINC000054744573 173399035 /nfs/dbraw/zinc/39/90/35/173399035.db2.gz ASOMJQCAGLHYRL-UHFFFAOYSA-N 1 0 247.258 0.153 10 0 BCAERO C[NH2+][C@@H](C)CNC(=O)c1c(C)nn(C)c1C ZINC000234424875 173415705 /nfs/dbraw/zinc/41/57/05/173415705.db2.gz OPEZOWDBOATCIT-ZETCQYMHSA-N 1 0 224.308 0.375 10 0 BCAERO C[NH2+][C@@H]1CCC2(C[C@H]1OC)OCCO2 ZINC000044044242 173432055 /nfs/dbraw/zinc/43/20/55/173432055.db2.gz JTFFIPIHIVYHSR-RKDXNWHRSA-N 1 0 201.266 0.516 10 0 BCAERO C[NH2+][C@H](C)CN1C(=O)CC(C)(C)CC1=O ZINC000061828119 173445716 /nfs/dbraw/zinc/44/57/16/173445716.db2.gz INIPBYBOLYWFHY-MRVPVSSYSA-N 1 0 212.293 0.770 10 0 BCAERO C[NH2+][C@H](C)CNC(=O)[C@H]1CCCOC1 ZINC000234431973 173446456 /nfs/dbraw/zinc/44/64/56/173446456.db2.gz IIWCAOHIIZQHEK-BDAKNGLRSA-N 1 0 200.282 0.137 10 0 BCAERO C[NH2+][C@H](C)CNC(=O)c1c(C)nn(C)c1C ZINC000234432883 173446771 /nfs/dbraw/zinc/44/67/71/173446771.db2.gz OPEZOWDBOATCIT-SSDOTTSWSA-N 1 0 224.308 0.375 10 0 BCAERO C[NH2+][C@H]1CCOC[C@@H]1OCC1CCOCC1 ZINC000052152803 173467006 /nfs/dbraw/zinc/46/70/06/173467006.db2.gz GBZUGMPBMDOZKE-RYUDHWBXSA-N 1 0 229.320 0.807 10 0 BCAERO C[NH2+][C@H]1CCOC[C@@H]1n1nc(C)nc1C ZINC000044034953 173467008 /nfs/dbraw/zinc/46/70/08/173467008.db2.gz LDOYHVPVBOXNGW-UWVGGRQHSA-N 1 0 210.281 0.444 10 0 BCAERO COC(=O)C1CCN(CC[NH2+]C(C)C)CC1 ZINC000042409143 173519025 /nfs/dbraw/zinc/51/90/25/173519025.db2.gz XVAXRVPDWVAJHT-UHFFFAOYSA-N 1 0 228.336 0.869 10 0 BCAERO COC(=O)CN(C)C(=O)C1CCC([NH3+])CC1 ZINC000037818715 173573009 /nfs/dbraw/zinc/57/30/09/173573009.db2.gz ASTQAFKXUYUEQF-UHFFFAOYSA-N 1 0 228.292 0.135 10 0 BCAERO COC(=O)C[C@@H]1CCCCN1C(=O)C[C@@H](C)[NH3+] ZINC000038101963 173627016 /nfs/dbraw/zinc/62/70/16/173627016.db2.gz UNOLRSNBPAOBJA-ZJUUUORDSA-N 1 0 242.319 0.668 10 0 BCAERO COC(=O)N(CCC[NH3+])Cc1cccnc1 ZINC000019816254 173650569 /nfs/dbraw/zinc/65/05/69/173650569.db2.gz KRJLOMQSLJHYAG-UHFFFAOYSA-N 1 0 223.276 0.999 10 0 BCAERO COC(=O)[C@@H](CC(C)C)NC1CC[NH2+]CC1 ZINC000038041039 173698181 /nfs/dbraw/zinc/69/81/81/173698181.db2.gz SHMDHAQCPJRHOD-LLVKDONJSA-N 1 0 228.336 0.916 10 0 BCAERO COC(=O)[C@H](C)C[NH2+]C1CCC(C(N)=O)CC1 ZINC000038091850 173771163 /nfs/dbraw/zinc/77/11/63/173771163.db2.gz WWLALYMTOGFFEL-XNWIYYODSA-N 1 0 242.319 0.429 10 0 BCAERO COC(=O)[C@H](C)NC(=O)C1CCC([NH3+])CC1 ZINC000037482344 173781746 /nfs/dbraw/zinc/78/17/46/173781746.db2.gz GOHJSMYNWYTBQH-UEJVZZJDSA-N 1 0 228.292 0.182 10 0 BCAERO COC(=O)[C@H](Cc1ccccc1)N1CC[NH2+]CC1 ZINC000037963831 173798202 /nfs/dbraw/zinc/79/82/02/173798202.db2.gz QFIGKZZNZZVXLI-ZDUSSCGKSA-N 1 0 248.326 0.676 10 0 BCAERO COC(=O)[C@H]1CCCN1C(=O)[C@H]1CCC[NH2+]C1 ZINC000037804199 173811326 /nfs/dbraw/zinc/81/13/26/173811326.db2.gz ZDGWKQUWNSGFBK-VHSXEESVSA-N 1 0 240.303 0.150 10 0 BCAERO COC(=O)c1csc(CCC[NH3+])n1 ZINC000011887467 173914495 /nfs/dbraw/zinc/91/44/95/173914495.db2.gz HXIFMXFZJNBXIN-UHFFFAOYSA-N 1 0 200.263 0.821 10 0 BCAERO COC1CCN(C(=O)C[C@H](C)[NH3+])CC1 ZINC000037654612 174024884 /nfs/dbraw/zinc/02/48/84/174024884.db2.gz VCUJTGPKXDYJIJ-QMMMGPOBSA-N 1 0 200.282 0.361 10 0 BCAERO COC1CCN(C(=O)C2CC[NH2+]CC2)CC1 ZINC000037266811 174025043 /nfs/dbraw/zinc/02/50/43/174025043.db2.gz NIKKWXGOUCNYFN-UHFFFAOYSA-N 1 0 226.320 0.623 10 0 BCAERO COC1CCN(C(=O)[C@H]2CC[NH2+]C2)CC1 ZINC000062112760 174027108 /nfs/dbraw/zinc/02/71/08/174027108.db2.gz CRYGHZKONFGHOS-VIFPVBQESA-N 1 0 212.293 0.233 10 0 BCAERO COC1CC[NH+](CCn2cc(N)cn2)CC1 ZINC000050614673 174027891 /nfs/dbraw/zinc/02/78/91/174027891.db2.gz ZXFWROACVABHKQ-UHFFFAOYSA-N 1 0 224.308 0.576 10 0 BCAERO CO[C@@H]1C[NH2+][C@H](CN2CCC(OC)CC2)C1 ZINC000040637485 174029334 /nfs/dbraw/zinc/02/93/34/174029334.db2.gz CKVFWRKOWMITAV-JQWIXIFHSA-N 1 0 228.336 0.474 10 0 BCAERO COCC(=O)N1CCC[NH2+]C(C)(C)C1 ZINC000062568620 174041324 /nfs/dbraw/zinc/04/13/24/174041324.db2.gz JKPXRXDUIUDIPQ-UHFFFAOYSA-N 1 0 200.282 0.233 10 0 BCAERO COCC(C)(C)NC(=O)[C@@H]1CCC[NH2+][C@H]1C ZINC000125488968 174080741 /nfs/dbraw/zinc/08/07/41/174080741.db2.gz YLBXODRKOFKLOF-VHSXEESVSA-N 1 0 228.336 0.916 10 0 BCAERO COCCC(=O)N1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000053731828 174123656 /nfs/dbraw/zinc/12/36/56/174123656.db2.gz XPPOUSJHFPISMD-QWRGUYRKSA-N 1 0 226.320 0.766 10 0 BCAERO COCCC(=O)N1CC[C@H](C)C[C@@H]1C[NH3+] ZINC000234623651 174125222 /nfs/dbraw/zinc/12/52/22/174125222.db2.gz UCPWOLTXKRFZDI-VHSXEESVSA-N 1 0 214.309 0.609 10 0 BCAERO COCCC(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000061883695 174133930 /nfs/dbraw/zinc/13/39/30/174133930.db2.gz ZZEXJZSSYMBCPQ-RKDXNWHRSA-N 1 0 200.282 0.267 10 0 BCAERO COCCCC[N@@H+]1CCN(C[C@@H](C)O)[C@H](C)C1 ZINC000117879947 174192844 /nfs/dbraw/zinc/19/28/44/174192844.db2.gz XQWJBXKCYMWVDU-CHWSQXEVSA-N 1 0 244.379 0.800 10 0 BCAERO COCCCC[NH2+][C@H]1CCC(=O)N[C@@H]1C ZINC000336754007 174203913 /nfs/dbraw/zinc/20/39/13/174203913.db2.gz HFHPMURLNDHDJV-ZJUUUORDSA-N 1 0 214.309 0.670 10 0 BCAERO COCCC[N@@H+]1CCN(C[C@@H](C)O)[C@@H](C)C1 ZINC000105824053 174230758 /nfs/dbraw/zinc/23/07/58/174230758.db2.gz CTUNWCAHWXAHLJ-NWDGAFQWSA-N 1 0 230.352 0.410 10 0 BCAERO COCCCN1CC[NH2+][C@H](C(C)C)C1 ZINC000082925394 174230890 /nfs/dbraw/zinc/23/08/90/174230890.db2.gz SJEMBWOCCHQBLH-NSHDSACASA-N 1 0 200.326 0.953 10 0 BCAERO COCCC[NH2+]CCN(C)C[C@H]1CCCOC1 ZINC000104191535 174246637 /nfs/dbraw/zinc/24/66/37/174246637.db2.gz NVKWRYINKTYBFF-CYBMUJFWSA-N 1 0 244.379 0.971 10 0 BCAERO COCCC[NH2+]CCCS(C)(=O)=O ZINC000038048171 174247200 /nfs/dbraw/zinc/24/72/00/174247200.db2.gz SISFDYLRNAUZDY-UHFFFAOYSA-N 1 0 209.311 0.047 10 0 BCAERO COCCCNc1nnc(C[NH3+])s1 ZINC000098123848 174253413 /nfs/dbraw/zinc/25/34/13/174253413.db2.gz MUEGEZAMGICTCI-UHFFFAOYSA-N 1 0 202.283 0.445 10 0 BCAERO COCCCO[C@H]1CC2(CC[C@H]1[NH3+])OCCO2 ZINC000037747092 174257151 /nfs/dbraw/zinc/25/71/51/174257151.db2.gz GJCZOUDQQCSHJB-MNOVXSKESA-N 1 0 245.319 0.662 10 0 BCAERO COCCN(C(=O)C[NH2+]C1CC1)[C@H](C)COC ZINC000042610259 174268596 /nfs/dbraw/zinc/26/85/96/174268596.db2.gz WDEMZPHVUSUHJH-SNVBAGLBSA-N 1 0 244.335 0.248 10 0 BCAERO COCCN(C)C(=O)[C@@H]1CCC[C@H](C)[NH2+]1 ZINC000042460182 174272434 /nfs/dbraw/zinc/27/24/34/174272434.db2.gz ZDRRZRIPQNVOCV-UWVGGRQHSA-N 1 0 214.309 0.622 10 0 BCAERO COCCN(C)[C@@H](C[NH3+])c1cccnc1 ZINC000041218825 174282565 /nfs/dbraw/zinc/28/25/65/174282565.db2.gz LFMYJKMQGCGXAP-NSHDSACASA-N 1 0 209.293 0.660 10 0 BCAERO COCC[N@H+](C[C@H](C)C(=O)OC)[C@@H](C)COC ZINC000042608368 174297961 /nfs/dbraw/zinc/29/79/61/174297961.db2.gz PWCUBDFBOFPKCG-QWRGUYRKSA-N 1 0 247.335 0.779 10 0 BCAERO COCCN(Cc1ccccn1)C(=O)C1C[NH2+]C1 ZINC000091409621 174299555 /nfs/dbraw/zinc/29/95/55/174299555.db2.gz MRFUZHMBLWTOLQ-UHFFFAOYSA-N 1 0 249.314 0.276 10 0 BCAERO COCCN([C@@H](C)C1CC1)[C@@H]1COCC[C@@H]1[NH3+] ZINC000042616217 174301883 /nfs/dbraw/zinc/30/18/83/174301883.db2.gz JOBNJXGSHCYWIS-WCFLWFBJSA-N 1 0 242.363 0.850 10 0 BCAERO COCCN1CC[N@H+](CCCO)C[C@H]1C ZINC000105913550 174310139 /nfs/dbraw/zinc/31/01/39/174310139.db2.gz XPVTUSDVUZOCKL-LLVKDONJSA-N 1 0 216.325 0.021 10 0 BCAERO COCCN1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000105823189 174310624 /nfs/dbraw/zinc/31/06/24/174310624.db2.gz KODTZYPGPOHWGB-WDEREUQCSA-N 1 0 216.325 0.020 10 0 BCAERO COCCN1C[C@H](C(C)C)[NH2+]C[C@H]1C ZINC000082926457 174317766 /nfs/dbraw/zinc/31/77/66/174317766.db2.gz ZTUJWBMXZKXQGK-GHMZBOCLSA-N 1 0 200.326 0.951 10 0 BCAERO COCCNC(=O)COc1ccc(C[NH3+])cc1 ZINC000022142350 174321506 /nfs/dbraw/zinc/32/15/06/174321506.db2.gz XFYXTDWKGBXIHQ-UHFFFAOYSA-N 1 0 238.287 0.287 10 0 BCAERO COCCNC(=O)Cc1sc(C[NH3+])nc1C ZINC000049831444 174322666 /nfs/dbraw/zinc/32/26/66/174322666.db2.gz RUQQNZBABKIQPY-UHFFFAOYSA-N 1 0 243.332 0.215 10 0 BCAERO COCCNC(=O)[C@@H](C)OC1CCC([NH3+])CC1 ZINC000055142839 174325688 /nfs/dbraw/zinc/32/56/88/174325688.db2.gz WTELBVATAXYVGV-KPPDAEKUSA-N 1 0 244.335 0.424 10 0 BCAERO COCCNC(=O)[C@H](C)[NH2+]CCc1ccco1 ZINC000037978064 174326315 /nfs/dbraw/zinc/32/63/15/174326315.db2.gz QMBFJRNDYBSMPQ-JTQLQIEISA-N 1 0 240.303 0.563 10 0 BCAERO COCCNC(=O)[C@H](C)[NH2+]C[C@@H]1CCCCO1 ZINC000042821305 174326948 /nfs/dbraw/zinc/32/69/48/174326948.db2.gz UVZMAWUJACFGSI-QWRGUYRKSA-N 1 0 244.335 0.296 10 0 BCAERO COCCNC(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000055085937 174327558 /nfs/dbraw/zinc/32/75/58/174327558.db2.gz RQMQTKDEKLQHIH-DTWKUNHWSA-N 1 0 200.282 0.267 10 0 BCAERO COCCNC(=O)[C@H]1[NH2+]CCC[C@@H]1C ZINC000051791996 174327879 /nfs/dbraw/zinc/32/78/79/174327879.db2.gz NHPOGHXDSJZFBG-IUCAKERBSA-N 1 0 200.282 0.137 10 0 BCAERO COCC[NH2+]CC(=O)N[C@@H](C)c1ccccn1 ZINC000092495192 174330973 /nfs/dbraw/zinc/33/09/73/174330973.db2.gz UMPNXSJVLNRMNT-JTQLQIEISA-N 1 0 237.303 0.495 10 0 BCAERO COCC[NH2+]CC1CCN(CC(=O)OC)CC1 ZINC000104421504 174332293 /nfs/dbraw/zinc/33/22/93/174332293.db2.gz IRWYPTPNVNNFKZ-UHFFFAOYSA-N 1 0 244.335 0.107 10 0 BCAERO COCC[NH2+]C[C@@H]1CCCN1CCOC ZINC000053650314 174334626 /nfs/dbraw/zinc/33/46/26/174334626.db2.gz SDPGBVPXRYIXOE-NSHDSACASA-N 1 0 216.325 0.333 10 0 BCAERO COCC[NH2+]C[C@H](O)c1ccc2c(c1)OCO2 ZINC000033466586 174334712 /nfs/dbraw/zinc/33/47/12/174334712.db2.gz YSUKZEIMIPZLLG-JTQLQIEISA-N 1 0 239.271 0.685 10 0 BCAERO COCC[NH2+]C[C@@H]1C[C@@H]1c1cnn(C)c1 ZINC000054598744 174335005 /nfs/dbraw/zinc/33/50/05/174335005.db2.gz QDNODPQJXDQJRA-ONGXEEELSA-N 1 0 209.293 0.760 10 0 BCAERO COCC[NH2+][C@H](CCc1ccccc1)C(N)=O ZINC000061625408 174340069 /nfs/dbraw/zinc/34/00/69/174340069.db2.gz UKMYKJWOCQLQJP-GFCCVEGCSA-N 1 0 236.315 0.709 10 0 BCAERO COCCOCC[N@H+](C)[C@H]1CCC[C@H]1O ZINC000337371712 174352527 /nfs/dbraw/zinc/35/25/27/174352527.db2.gz WHAVGXUSQROXDO-WDEREUQCSA-N 1 0 217.309 0.495 10 0 BCAERO COCCOCCN1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000226971965 174354435 /nfs/dbraw/zinc/35/44/35/174354435.db2.gz VBGIBCQFXMHHJC-VXGBXAGGSA-N 1 0 230.352 0.709 10 0 BCAERO COCCOCCN1CC[C@H](C[NH2+]C2CC2)C1 ZINC000053033867 174355255 /nfs/dbraw/zinc/35/52/55/174355255.db2.gz HWTIRGHKNFZWLV-GFCCVEGCSA-N 1 0 242.363 0.723 10 0 BCAERO COCC[C@@H](C)NC(=O)[C@@H](C)C1C[NH2+]C1 ZINC000129275083 174380936 /nfs/dbraw/zinc/38/09/36/174380936.db2.gz RNMZRQOBBMEHQZ-BDAKNGLRSA-N 1 0 214.309 0.383 10 0 BCAERO COCC[C@@H]([NH3+])C(=O)N(CCO)C1CCCC1 ZINC000052809065 174391672 /nfs/dbraw/zinc/39/16/72/174391672.db2.gz FGUZLWWREMFSAC-LLVKDONJSA-N 1 0 244.335 0.114 10 0 BCAERO COCC[C@H](C)NC(=O)[C@@H](C)C1C[NH2+]C1 ZINC000129274892 174404472 /nfs/dbraw/zinc/40/44/72/174404472.db2.gz RNMZRQOBBMEHQZ-IUCAKERBSA-N 1 0 214.309 0.383 10 0 BCAERO COCC[C@H]([NH3+])C(=O)N(CCO)C1CCCC1 ZINC000052809064 174415014 /nfs/dbraw/zinc/41/50/14/174415014.db2.gz FGUZLWWREMFSAC-NSHDSACASA-N 1 0 244.335 0.114 10 0 BCAERO COCCc1noc(C2([NH3+])CCCC2)n1 ZINC000042436299 174426164 /nfs/dbraw/zinc/42/61/64/174426164.db2.gz OUKZUUDHRVZDPG-UHFFFAOYSA-N 1 0 211.265 0.987 10 0 BCAERO COCCn1cc(N2CC[C@H]([NH3+])C[C@H]2C)cn1 ZINC000049714163 174429995 /nfs/dbraw/zinc/42/99/95/174429995.db2.gz UYVWZJOSAZASPY-MNOVXSKESA-N 1 0 238.335 0.846 10 0 BCAERO COC[C@@H](C)C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000113456094 174435394 /nfs/dbraw/zinc/43/53/94/174435394.db2.gz OUEXYFZSOMHNCP-GHMZBOCLSA-N 1 0 228.336 0.679 10 0 BCAERO COC[C@@H](C)N(C)C(=O)[C@H](C)C1C[NH2+]C1 ZINC000129137499 174446160 /nfs/dbraw/zinc/44/61/60/174446160.db2.gz DKCKUZVHFCRPGD-RKDXNWHRSA-N 1 0 214.309 0.335 10 0 BCAERO COC[C@@H](O)CN(C)C(=O)CCCCCC[NH3+] ZINC000042526080 174490748 /nfs/dbraw/zinc/49/07/48/174490748.db2.gz KQLNSLBGEJYXIQ-NSHDSACASA-N 1 0 246.351 0.361 10 0 BCAERO COC[C@@H]1CCN(C(=O)[C@@H]2CC[C@@H]([NH3+])C2)C1 ZINC000227794979 174505456 /nfs/dbraw/zinc/50/54/56/174505456.db2.gz ONABNKZSDUWUNP-GMTAPVOTSA-N 1 0 226.320 0.609 10 0 BCAERO COCc1ccc(C[NH2+]CCO)s1 ZINC000045206017 174625049 /nfs/dbraw/zinc/62/50/49/174625049.db2.gz JYGFMCIZQHIHTP-UHFFFAOYSA-N 1 0 201.291 0.976 10 0 BCAERO COCc1cccc(C[NH2+][C@H]2COC[C@H]2O)c1 ZINC000038010790 174631795 /nfs/dbraw/zinc/63/17/95/174631795.db2.gz QPHKIWNBFLHNIH-QWHCGFSZSA-N 1 0 237.299 0.682 10 0 BCAERO CO[C@@H]1CC[C@@H](NC(=O)C[NH2+]CC2CC2)C1 ZINC000234813592 174762359 /nfs/dbraw/zinc/76/23/59/174762359.db2.gz FQQUKTBMIYOIKK-GHMZBOCLSA-N 1 0 226.320 0.670 10 0 BCAERO CO[C@H]1CCC[C@@H]1[NH2+]C1CCS(=O)(=O)CC1 ZINC000050370859 174882380 /nfs/dbraw/zinc/88/23/80/174882380.db2.gz MJUGYLJCFOAIEG-QWRGUYRKSA-N 1 0 247.360 0.721 10 0 BCAERO COc1cc(F)c([C@H]([NH3+])CO)cc1F ZINC000072197935 174992975 /nfs/dbraw/zinc/99/29/75/174992975.db2.gz SJASNEVRMVMJNZ-MRVPVSSYSA-N 1 0 203.188 0.966 10 0 BCAERO COc1cc(OC)c([C@@H](N)C[NH3+])cc1OC ZINC000035677075 175007942 /nfs/dbraw/zinc/00/79/42/175007942.db2.gz HWQFWIQNXIJJNJ-QMMMGPOBSA-N 1 0 226.276 0.671 10 0 BCAERO COc1cc([C@@H](O)C[NH3+])cc2c1OCO2 ZINC000021950065 175013940 /nfs/dbraw/zinc/01/39/40/175013940.db2.gz RQEPKYBSSAVLEA-ZETCQYMHSA-N 1 0 211.217 0.416 10 0 BCAERO COc1cc([C@H](C)[NH2+][C@@H](C)C(N)=O)ccc1O ZINC000035793259 175016130 /nfs/dbraw/zinc/01/61/30/175016130.db2.gz XXNSEODVJZQRGQ-YUMQZZPRSA-N 1 0 238.287 0.925 10 0 BCAERO COc1cc2c(cc1OC)NC(=O)[C@@H](C[NH3+])C2 ZINC000011982433 175024330 /nfs/dbraw/zinc/02/43/30/175024330.db2.gz SQNDCSMQRAPXHL-MRVPVSSYSA-N 1 0 236.271 0.773 10 0 BCAERO COc1ccc(C(=O)NC2CC([NH3+])C2)cc1 ZINC000036237044 175058423 /nfs/dbraw/zinc/05/84/23/175058423.db2.gz BELUPFIMDWXRMO-UHFFFAOYSA-N 1 0 220.272 0.915 10 0 BCAERO COc1ccc(C(=O)N[C@H]2C[C@H]2[NH3+])cc1F ZINC000061669255 175063829 /nfs/dbraw/zinc/06/38/29/175063829.db2.gz MRRVYIQPCRMUID-BDAKNGLRSA-N 1 0 224.235 0.664 10 0 BCAERO COc1ccc(C)cc1CS(=O)(=O)CC[NH3+] ZINC000057955776 175076005 /nfs/dbraw/zinc/07/60/05/175076005.db2.gz BAHQRYQKRKZUSI-UHFFFAOYSA-N 1 0 243.328 0.877 10 0 BCAERO COc1ccc(CC(=O)N[C@@H]2C[C@@H]2[NH3+])cc1 ZINC000036235104 175087335 /nfs/dbraw/zinc/08/73/35/175087335.db2.gz TXYUGLMZRGJXOH-WDEREUQCSA-N 1 0 220.272 0.454 10 0 BCAERO COc1ccc(CC(=O)N[C@@H]2C[C@H]2[NH3+])cc1 ZINC000036235107 175087516 /nfs/dbraw/zinc/08/75/16/175087516.db2.gz TXYUGLMZRGJXOH-GHMZBOCLSA-N 1 0 220.272 0.454 10 0 BCAERO COc1ccc(CNC(=O)[C@@H]2CCC[NH2+]2)cn1 ZINC000040432069 175104803 /nfs/dbraw/zinc/10/48/03/175104803.db2.gz RAHIURSVQPXFCZ-JTQLQIEISA-N 1 0 235.287 0.458 10 0 BCAERO COc1ccc(OC)c([C@@H]([NH3+])Cn2cncn2)c1 ZINC000023069433 175167983 /nfs/dbraw/zinc/16/79/83/175167983.db2.gz UBNMKTKLAILYFQ-NSHDSACASA-N 1 0 248.286 0.995 10 0 BCAERO COc1ccc(OC)c([C@@H](O)[C@@H]([NH3+])CO)c1 ZINC000077340976 175168000 /nfs/dbraw/zinc/16/80/00/175168000.db2.gz XFAKMQAFJKGGKF-GXSJLCMTSA-N 1 0 227.260 0.057 10 0 BCAERO COc1ccc([C@@H]2CNC(=O)[C@@H]2[NH3+])cc1 ZINC000082932409 175183499 /nfs/dbraw/zinc/18/34/99/175183499.db2.gz LLTQPIZFMLBEAR-VHSXEESVSA-N 1 0 206.245 0.236 10 0 BCAERO COc1ccc([C@@](C)([NH3+])C(N)=O)cc1OC ZINC000037460134 175186426 /nfs/dbraw/zinc/18/64/26/175186426.db2.gz BOMKFTUKYZAHBZ-LLVKDONJSA-N 1 0 224.260 0.363 10 0 BCAERO COc1ccc2c(c1)=[NH+]C1=C(C)NCCC=21 ZINC000012496083 175206053 /nfs/dbraw/zinc/20/60/53/175206053.db2.gz QJOZJXNKVMFAET-UHFFFAOYSA-N 1 0 214.268 0.704 10 0 biogenic,in-vitro BCAERO COc1ccc2c(cc(C(=O)NCC[NH3+])n2C)c1 ZINC000032500327 175219102 /nfs/dbraw/zinc/21/91/02/175219102.db2.gz PYAIEPAAEHVFOU-UHFFFAOYSA-N 1 0 247.298 0.875 10 0 BCAERO COc1cccc(-c2nc(C[NH3+])cc(=O)[nH]2)c1 ZINC000058053959 175235937 /nfs/dbraw/zinc/23/59/37/175235937.db2.gz CYQUQVDPWQKSGI-UHFFFAOYSA-N 1 0 231.255 0.904 10 0 BCAERO COc1cccc(C[NH3+])c1OCC(=O)N(C)C ZINC000035413031 175257094 /nfs/dbraw/zinc/25/70/94/175257094.db2.gz AQOWMYPGMODPHU-UHFFFAOYSA-N 1 0 238.287 0.621 10 0 BCAERO COc1cccc(C[NH3+])c1OC[C@H](C)C(N)=O ZINC000035412930 175257546 /nfs/dbraw/zinc/25/75/46/175257546.db2.gz NLIXDBZOSPFZMZ-QMMMGPOBSA-N 1 0 238.287 0.654 10 0 BCAERO COc1cccc(CNC(=O)[C@@H]([NH3+])C(C)C)n1 ZINC000083364868 175262377 /nfs/dbraw/zinc/26/23/77/175262377.db2.gz QMUZUFXVGMSFBJ-NSHDSACASA-N 1 0 237.303 0.690 10 0 BCAERO COc1cccc(CNC[C@H](O)C[NH+](C)C)c1 ZINC000037894661 175266004 /nfs/dbraw/zinc/26/60/04/175266004.db2.gz YTJBLKNQQBRRIQ-LBPRGKRZSA-N 1 0 238.331 0.707 10 0 BCAERO COc1cccc(OC)c1OC[C@H]([NH3+])CO ZINC000071533110 175282328 /nfs/dbraw/zinc/28/23/28/175282328.db2.gz OKRHWEPHRFHADI-MRVPVSSYSA-N 1 0 227.260 0.402 10 0 BCAERO COc1cccc(OCC[C@@H]([NH3+])CO)c1 ZINC000071518190 175283496 /nfs/dbraw/zinc/28/34/96/175283496.db2.gz HQXZKRRJBSKTFQ-SECBINFHSA-N 1 0 211.261 0.784 10 0 BCAERO COc1cccc([C@@H](O)C(N)=[NH2+])c1OC ZINC000045823722 175288779 /nfs/dbraw/zinc/28/87/79/175288779.db2.gz BFYZICJULIKDNK-MRVPVSSYSA-N 1 0 210.233 0.673 10 0 BCAERO COc1cccc([C@@H]2NC(=O)CC[C@@H]2[NH3+])c1 ZINC000057501522 175290287 /nfs/dbraw/zinc/29/02/87/175290287.db2.gz KMYZQXQFXNJDRL-JQWIXIFHSA-N 1 0 220.272 0.974 10 0 BCAERO CCn1cnnc1CNC(=O)C[C@@H]([NH3+])C(C)C ZINC000225813433 487630278 /nfs/dbraw/zinc/63/02/78/487630278.db2.gz DDXAHXLWNNKBNY-SECBINFHSA-N 1 0 239.323 0.288 10 0 BCAERO COc1ccccc1-n1nnnc1C[NH3+] ZINC000054744250 175314090 /nfs/dbraw/zinc/31/40/90/175314090.db2.gz YBTATUWPPSHXNS-UHFFFAOYSA-N 1 0 205.221 0.130 10 0 BCAERO COc1ccccc1CC(=O)N[C@H]1C[C@@H]1[NH3+] ZINC000036235027 175321426 /nfs/dbraw/zinc/32/14/26/175321426.db2.gz JYBLXIZOYYZLNQ-UWVGGRQHSA-N 1 0 220.272 0.454 10 0 BCAERO COc1ccccc1CCN1C[C@H]([NH3+])CC1=O ZINC000015015155 175322814 /nfs/dbraw/zinc/32/28/14/175322814.db2.gz KUWWDTLINKBHEZ-LLVKDONJSA-N 1 0 234.299 0.797 10 0 BCAERO COc1ccccc1CN1C[C@H]([NH3+])CC1=O ZINC000009280458 175328561 /nfs/dbraw/zinc/32/85/61/175328561.db2.gz PXXRZCAYGHFGKO-SNVBAGLBSA-N 1 0 220.272 0.755 10 0 BCAERO COc1ccccc1C[NH2+][C@H]1COC[C@H]1O ZINC000037874827 175331287 /nfs/dbraw/zinc/33/12/87/175331287.db2.gz PCTRBQFJHBYYRK-WDEREUQCSA-N 1 0 223.272 0.545 10 0 BCAERO COc1ccccc1OCCNCC[NH3+] ZINC000074339356 175341992 /nfs/dbraw/zinc/34/19/92/175341992.db2.gz KGDWDLMCDYBUDI-UHFFFAOYSA-N 1 0 210.277 0.622 10 0 BCAERO COc1ccccc1OC[C@H](C[NH3+])N(C)C ZINC000020400014 175342008 /nfs/dbraw/zinc/34/20/08/175342008.db2.gz WAQJLOSGYDFJSN-JTQLQIEISA-N 1 0 224.304 0.963 10 0 BCAERO COc1ccccc1[C@@H](C(N)=O)N1CC[NH2+]CC1 ZINC000037945691 175345309 /nfs/dbraw/zinc/34/53/09/175345309.db2.gz YWDSUIICBIISEH-LBPRGKRZSA-N 1 0 249.314 0.127 10 0 BCAERO COc1ccnc(N2C[C@@H](C[NH3+])C[C@H]2C)n1 ZINC000127045354 175362251 /nfs/dbraw/zinc/36/22/51/175362251.db2.gz WNXMLYWZNSNNSI-RKDXNWHRSA-N 1 0 222.292 0.659 10 0 BCAERO COc1ccnc(NC(=O)[C@H]2C[C@H](F)C[NH2+]2)c1 ZINC000188983786 175363470 /nfs/dbraw/zinc/36/34/70/175363470.db2.gz IGKIKAVANDGXSX-IONNQARKSA-N 1 0 239.250 0.729 10 0 BCAERO COc1cncc(N2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000038867563 175386461 /nfs/dbraw/zinc/38/64/61/175386461.db2.gz QCAHYIYDXVYFOH-AOOOYVTPSA-N 1 0 219.288 0.746 10 0 BCAERO COc1nc(Cl)nc(O[C@@H]2CCC[NH2+]C2)n1 ZINC000061515009 175392808 /nfs/dbraw/zinc/39/28/08/175392808.db2.gz GFHAOQVUUJNSLL-ZCFIWIBFSA-N 1 0 244.682 0.664 10 0 BCAERO COc1nc(Cl)nc(OC[C@@H]2CCC[NH2+]2)n1 ZINC000061514983 175392816 /nfs/dbraw/zinc/39/28/16/175392816.db2.gz RFYCZSMQOXQGNS-LURJTMIESA-N 1 0 244.682 0.664 10 0 BCAERO COc1nccnc1CN1CCC[C@H]([NH3+])C1 ZINC000095071611 175411598 /nfs/dbraw/zinc/41/15/98/175411598.db2.gz GFPHBOFTILRALP-VIFPVBQESA-N 1 0 222.292 0.408 10 0 BCAERO COc1nccnc1CN1CCC([NH3+])CC1 ZINC000095071608 175412353 /nfs/dbraw/zinc/41/23/53/175412353.db2.gz DBEQEUDJTXOFMX-UHFFFAOYSA-N 1 0 222.292 0.408 10 0 BCAERO CS(=O)(=O)Nc1ccc(CC[NH3+])cc1 ZINC000020224437 175433127 /nfs/dbraw/zinc/43/31/27/175433127.db2.gz SXYAAGQHMZVOEB-UHFFFAOYSA-N 1 0 214.290 0.559 10 0 BCAERO CS(=O)(=O)c1ccc(N2CC[C@H]([NH3+])C2)cc1 ZINC000050244154 175437520 /nfs/dbraw/zinc/43/75/20/175437520.db2.gz JHGAZFORRKRISM-VIFPVBQESA-N 1 0 240.328 0.628 10 0 BCAERO CS(=O)(=O)c1ccc(NC(N)=[NH2+])cc1 ZINC000052091874 175437570 /nfs/dbraw/zinc/43/75/70/175437570.db2.gz IKPCNXZHIZDFSG-UHFFFAOYSA-N 1 0 213.262 0.395 10 0 BCAERO CSCCC(=O)N1CCC[C@H]1C[NH3+] ZINC000132881009 175466134 /nfs/dbraw/zinc/46/61/34/175466134.db2.gz YVXKIGBNOQFGCN-QMMMGPOBSA-N 1 0 202.323 0.689 10 0 BCAERO CSCC[NH2+][C@H]1CCC(=O)N[C@H]1C ZINC000308184971 175498894 /nfs/dbraw/zinc/49/88/94/175498894.db2.gz INSNZYFHHUPHEW-YUMQZZPRSA-N 1 0 202.323 0.606 10 0 BCAERO C[C@@H](C(N)=O)N(CC[NH3+])Cc1ccccc1 ZINC000038033190 175630252 /nfs/dbraw/zinc/63/02/52/175630252.db2.gz BEZDMHRQUAQBRN-JTQLQIEISA-N 1 0 221.304 0.321 10 0 BCAERO C[C@@H]([NH3+])CC(=O)Nc1ccccc1CC(N)=O ZINC000037607529 175803226 /nfs/dbraw/zinc/80/32/26/175803226.db2.gz BMUYDZPXAQDXAB-MRVPVSSYSA-N 1 0 235.287 0.390 10 0 BCAERO C[C@@H]([NH3+])CCC(=O)N(C)C[C@H]1CCCO1 ZINC000069839894 175804125 /nfs/dbraw/zinc/80/41/25/175804125.db2.gz UDESAHWTCHNPPR-NXEZZACHSA-N 1 0 214.309 0.751 10 0 BCAERO C[C@@H](NS(C)(=O)=O)[C@@H]1CCCC[NH2+]1 ZINC000035691705 175910434 /nfs/dbraw/zinc/91/04/34/175910434.db2.gz HHAQXVFMXVQYHA-SFYZADRCSA-N 1 0 206.311 0.066 10 0 BCAERO C[C@@H](O)CN(C)C(=O)CC1CC[NH2+]CC1 ZINC000051838616 175961553 /nfs/dbraw/zinc/96/15/53/175961553.db2.gz OOLQSTPBVOWABN-SECBINFHSA-N 1 0 214.309 0.215 10 0 BCAERO C[C@@H](OC1CC[NH2+]CC1)C(=O)N1CCCC1 ZINC000036963139 176002228 /nfs/dbraw/zinc/00/22/28/176002228.db2.gz DZQNVRICHLUIPP-SNVBAGLBSA-N 1 0 226.320 0.766 10 0 BCAERO C[C@@H](OC[C@H]1CCC[NH2+]1)C(=O)N1CCOCC1 ZINC000051816270 176002891 /nfs/dbraw/zinc/00/28/91/176002891.db2.gz AVHNICDGKVCULO-GHMZBOCLSA-N 1 0 242.319 0.002 10 0 BCAERO C[C@@H](OC[C@H]1CCC[NH2+]1)C(=O)N1CCCC1 ZINC000051816266 176003380 /nfs/dbraw/zinc/00/33/80/176003380.db2.gz RIHOQIXSOBUXKY-GHMZBOCLSA-N 1 0 226.320 0.766 10 0 BCAERO C[C@@H]([C@H]1CCC[NH2+]C1)N1C(=O)C[C@@H](C)C1=O ZINC000216527205 176011877 /nfs/dbraw/zinc/01/18/77/176011877.db2.gz LXAFIMXVHBNCES-UTLUCORTSA-N 1 0 224.304 0.770 10 0 BCAERO C[C@@H](c1cccc(N)c1)[N@H+](C)CC(N)=O ZINC000040908148 176018256 /nfs/dbraw/zinc/01/82/56/176018256.db2.gz QHLFAAOYJYLDKP-QMMMGPOBSA-N 1 0 207.277 0.747 10 0 BCAERO C[C@@H](c1cnn(C)c1)N1CCC([NH3+])CC1 ZINC000044500869 176036526 /nfs/dbraw/zinc/03/65/26/176036526.db2.gz AQIGIXAPTQIFSY-VIFPVBQESA-N 1 0 208.309 0.904 10 0 BCAERO C[C@@H](c1cnn(C)c1)N1CCC[NH2+]CC1 ZINC000044500909 176037329 /nfs/dbraw/zinc/03/73/29/176037329.db2.gz DPRFQVLPOUKIBQ-JTQLQIEISA-N 1 0 208.309 0.776 10 0 BCAERO C[C@@H]1C(=O)NCCN1Cc1ccc(C[NH3+])cc1 ZINC000104129125 176046837 /nfs/dbraw/zinc/04/68/37/176046837.db2.gz LQKDDDIBWJWTIY-SNVBAGLBSA-N 1 0 233.315 0.466 10 0 BCAERO C[C@@H]1CC(=O)N(CC[C@@H]2CCC[NH2+]C2)C1=O ZINC000104795869 176048620 /nfs/dbraw/zinc/04/86/20/176048620.db2.gz BAWREVRVJAKYSV-ZJUUUORDSA-N 1 0 224.304 0.771 10 0 BCAERO C[C@@H]1CC(=O)N(c2ccccc2OCC[NH3+])C1=O ZINC000038051799 176048796 /nfs/dbraw/zinc/04/87/96/176048796.db2.gz KUTCUSHIRWDHLO-SECBINFHSA-N 1 0 248.282 0.924 10 0 BCAERO C[C@@H]1CCCC[C@@]1(CO)[NH+]1CCNCC1 ZINC000038120536 176083359 /nfs/dbraw/zinc/08/33/59/176083359.db2.gz DDZSXBMDVJKMHJ-NEPJUHHUSA-N 1 0 212.337 0.833 10 0 BCAERO C[C@@H]1CCCN(S(=O)(=O)CCC[NH3+])C1 ZINC000020180106 176102952 /nfs/dbraw/zinc/10/29/52/176102952.db2.gz WPBKZBBTHHBUBY-SECBINFHSA-N 1 0 220.338 0.397 10 0 BCAERO C[C@@H]1CCC[NH2+][C@@H]1C(=O)NCCn1cccn1 ZINC000051793629 176111394 /nfs/dbraw/zinc/11/13/94/176111394.db2.gz LANAIRBJVRXZEG-MNOVXSKESA-N 1 0 236.319 0.387 10 0 BCAERO C[C@@H]1CCC[NH2+][C@H]1C(=O)NCc1cnn(C)c1 ZINC000051813118 176112353 /nfs/dbraw/zinc/11/23/53/176112353.db2.gz MHCDNQBDFYZSNE-MWLCHTKSSA-N 1 0 236.319 0.424 10 0 BCAERO C[C@@H]1CCC[NH2+][C@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000052010726 176112996 /nfs/dbraw/zinc/11/29/96/176112996.db2.gz BIGCPIMWVLDCJW-WISYIIOYSA-N 1 0 240.347 0.794 10 0 BCAERO C[C@@H]1CCC[C@@H]([NH3+])[C@@H]1C(=O)NC[C@@H]1CCOC1 ZINC000061148908 176120730 /nfs/dbraw/zinc/12/07/30/176120730.db2.gz IIEMATCFHDTKKF-WRWGMCAJSA-N 1 0 240.347 0.903 10 0 BCAERO C[C@@H]1CCC[C@@](CO)([NH2+]CC(=O)N(C)C)C1 ZINC000053126913 176133936 /nfs/dbraw/zinc/13/39/36/176133936.db2.gz GAIYOKMUFWSWOT-ZYHUDNBSSA-N 1 0 228.336 0.605 10 0 BCAERO C[C@@H]1CCC[C@H](C(=O)N2CCCOCC2)[NH2+]1 ZINC000061933202 176135336 /nfs/dbraw/zinc/13/53/36/176135336.db2.gz YHBMGMDOZPPEOF-GHMZBOCLSA-N 1 0 226.320 0.766 10 0 BCAERO C[C@@H]1CCC[C@H](C(=O)N2CCC(O)CC2)[NH2+]1 ZINC000019430764 176135921 /nfs/dbraw/zinc/13/59/21/176135921.db2.gz DEDLGVFRMOHSEA-MWLCHTKSSA-N 1 0 226.320 0.500 10 0 BCAERO C[C@@H]1CCC[C@H](N(C)C(=O)[C@H](N)CC(N)=O)C1 ZINC000042494822 176140762 /nfs/dbraw/zinc/14/07/62/176140762.db2.gz OUTDUSFSYZHAAL-KXUCPTDWSA-N 1 0 241.335 0.226 10 0 BCAERO C[C@@H]1CCC[C@H](N(C)C(=O)[C@@H]2C[C@H](O)C[NH2+]2)C1 ZINC000042494962 176140933 /nfs/dbraw/zinc/14/09/33/176140933.db2.gz IAJJUJXQGUTIDD-RHYQMDGZSA-N 1 0 240.347 0.746 10 0 BCAERO C[C@@H]1CCN(CC(=O)NC2CC2)[C@@H](C[NH3+])C1 ZINC000224843470 176167429 /nfs/dbraw/zinc/16/74/29/176167429.db2.gz KOEGBUAMUKCMBK-MWLCHTKSSA-N 1 0 225.336 0.324 10 0 BCAERO C[C@@H]1CC[C@@H](C(=O)N2CCN(C)[C@H](C)C2)C[NH2+]1 ZINC000104143260 176194274 /nfs/dbraw/zinc/19/42/74/176194274.db2.gz YWZPLPXYKMXHMN-IJLUTSLNSA-N 1 0 239.363 0.537 10 0 BCAERO C[C@@H]1CC[C@@H](C(=O)N2CCCOCC2)C[NH2+]1 ZINC000061933214 176194667 /nfs/dbraw/zinc/19/46/67/176194667.db2.gz ONKRAPNFLLLJSZ-GHMZBOCLSA-N 1 0 226.320 0.623 10 0 BCAERO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1cccnc1N ZINC000052724915 176196813 /nfs/dbraw/zinc/19/68/13/176196813.db2.gz AEWRZPSENOQEAH-MWLCHTKSSA-N 1 0 248.330 0.750 10 0 BCAERO C[C@@H]1CC[C@@H](CN2C(=O)CCCC2=O)C[NH2+]1 ZINC000062037676 176202540 /nfs/dbraw/zinc/20/25/40/176202540.db2.gz MCOPVLXYTGKRTC-NXEZZACHSA-N 1 0 224.304 0.914 10 0 BCAERO C[C@@H]1CC[C@@H]([NH3+])C[C@@H]1C(=O)NCCCC(N)=O ZINC000055130548 176209009 /nfs/dbraw/zinc/20/90/09/176209009.db2.gz VFKNFRABLDWVCQ-BBBLOLIVSA-N 1 0 241.335 0.132 10 0 BCAERO C[C@@H]1CC[C@@H]([NH3+])[C@H](CN2CC[NH+](C)CC2)C1 ZINC000053861547 176209377 /nfs/dbraw/zinc/20/93/77/176209377.db2.gz AOMWFFHTLLUCQU-FRRDWIJNSA-N 1 0 225.380 0.997 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)NCc2ccnn2C)C[NH2+]1 ZINC000071335563 176221364 /nfs/dbraw/zinc/22/13/64/176221364.db2.gz RXJAXDVQUNXDQW-ZJUUUORDSA-N 1 0 236.319 0.424 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)Nc2ccnn2C)C[NH2+]1 ZINC000044593819 176221561 /nfs/dbraw/zinc/22/15/61/176221561.db2.gz WBYWITLWUGCCOC-BDAKNGLRSA-N 1 0 222.292 0.747 10 0 BCAERO C[C@@H]1CC[C@H](CN2C(=O)CCCC2=O)C[NH2+]1 ZINC000062037674 176223591 /nfs/dbraw/zinc/22/35/91/176223591.db2.gz MCOPVLXYTGKRTC-ZJUUUORDSA-N 1 0 224.304 0.914 10 0 BCAERO C[C@@H]1CC[C@H](C[NH2+][C@H]2CCC(=O)N[C@@H]2C)O1 ZINC000336780235 176227226 /nfs/dbraw/zinc/22/72/26/176227226.db2.gz QRBQLXAPZFFSJD-DBIOUOCHSA-N 1 0 226.320 0.811 10 0 BCAERO C[C@@H]1CC[C@H](N[C@@H]2CC[NH2+]C2)[C@H](n2cncn2)C1 ZINC000333283053 176234141 /nfs/dbraw/zinc/23/41/41/176234141.db2.gz MUKFVVWFDNIIFJ-FVCCEPFGSA-N 1 0 249.362 0.959 10 0 BCAERO C[C@@H]1CC[C@H](N[C@@H]2CC[NH2+]C2)[C@@H](n2cncn2)C1 ZINC000333283057 176234171 /nfs/dbraw/zinc/23/41/71/176234171.db2.gz MUKFVVWFDNIIFJ-NDBYEHHHSA-N 1 0 249.362 0.959 10 0 BCAERO C[C@@H]1CN(C(=O)C(F)(F)F)CCC[NH2+]1 ZINC000062570221 176241760 /nfs/dbraw/zinc/24/17/60/176241760.db2.gz QZDCNXHSLHWDEG-ZCFIWIBFSA-N 1 0 210.199 0.759 10 0 BCAERO C[C@@H]1CN(C(=O)C2(C[NH3+])CCOCC2)C[C@H]1C ZINC000092087357 176242697 /nfs/dbraw/zinc/24/26/97/176242697.db2.gz BWCIQKMASOZSBC-GHMZBOCLSA-N 1 0 240.347 0.856 10 0 BCAERO C[C@@H]1CN(C(=O)C2([NH3+])CCC2)CCS1 ZINC000123358781 176242806 /nfs/dbraw/zinc/24/28/06/176242806.db2.gz YPUVTMFFHQIWKJ-MRVPVSSYSA-N 1 0 214.334 0.832 10 0 BCAERO C[C@H]1CN(C(=O)C2(C[NH3+])CCOCC2)C[C@H]1C ZINC000092087355 176243201 /nfs/dbraw/zinc/24/32/01/176243201.db2.gz BWCIQKMASOZSBC-PHIMTYICSA-N 1 0 240.347 0.856 10 0 BCAERO C[C@@H]1CN(C(=O)C[NH2+]CC2CC2)C[C@@H](C)O1 ZINC000037478055 176247385 /nfs/dbraw/zinc/24/73/85/176247385.db2.gz JYFJQGBNYMYZPO-NXEZZACHSA-N 1 0 226.320 0.622 10 0 BCAERO C[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C[NH3+])O2)C[C@@H](C)O1 ZINC000094562552 176255864 /nfs/dbraw/zinc/25/58/64/176255864.db2.gz GRFFHNQNTCVJPD-DBIOUOCHSA-N 1 0 242.319 0.129 10 0 BCAERO C[C@@H]1CN(C(=O)[C@H]2CCC[C@@H]([NH3+])C2)CCO1 ZINC000226748196 176258121 /nfs/dbraw/zinc/25/81/21/176258121.db2.gz CZFDEBABTGPSBC-OUAUKWLOSA-N 1 0 226.320 0.751 10 0 BCAERO C[C@@H]1CN(C(=O)c2c[nH]cn2)[C@H](C)C[NH2+]1 ZINC000084377664 176259948 /nfs/dbraw/zinc/25/99/48/176259948.db2.gz XVTLXNPPSMTSGU-HTQZYQBOSA-N 1 0 208.265 0.232 10 0 BCAERO C[C@@H]1CN(C(=O)c2ccc(=O)[nH]c2)C[C@@H]1[NH+](C)C ZINC000089710038 176260413 /nfs/dbraw/zinc/26/04/13/176260413.db2.gz PXYXFGSOTFSTIH-KOLCDFICSA-N 1 0 249.314 0.397 10 0 BCAERO C[C@@H]1C[N@H+](CCCn2ccc(N)n2)CCCO1 ZINC000071352494 176289944 /nfs/dbraw/zinc/28/99/44/176289944.db2.gz AMONPLADMXQCAU-LLVKDONJSA-N 1 0 238.335 0.966 10 0 BCAERO C[C@@H]1CN(CCOC2CC[NH2+]CC2)C[C@@H](C)O1 ZINC000090225734 176292600 /nfs/dbraw/zinc/29/26/00/176292600.db2.gz OEJUTPHECMERII-VXGBXAGGSA-N 1 0 242.363 0.864 10 0 BCAERO C[C@@H]1CN(Cc2ccc(C(N)=O)cc2)C[C@@H]1[NH3+] ZINC000235352244 176302623 /nfs/dbraw/zinc/30/26/23/176302623.db2.gz WQPJNAYVUIDYOD-SKDRFNHKSA-N 1 0 233.315 0.565 10 0 BCAERO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H](O)[C@H]1O ZINC000034085099 176305874 /nfs/dbraw/zinc/30/58/74/176305874.db2.gz QDARHTWIIRQYKT-RTXFEEFZSA-N 1 0 221.300 0.860 10 0 BCAERO C[C@@H]1CN(Cc2ncc[nH]2)C[C@@H]1[NH+](C)C ZINC000271563842 176312656 /nfs/dbraw/zinc/31/26/56/176312656.db2.gz NTAIFVHYYZPQTO-ZJUUUORDSA-N 1 0 208.309 0.792 10 0 BCAERO C[C@@H]1CN([C@@H](C[NH3+])c2cnn(C)c2)[C@H](C)CO1 ZINC000035783479 176314840 /nfs/dbraw/zinc/31/48/40/176314840.db2.gz DEEQQKIKELFOET-FOGDFJRCSA-N 1 0 238.335 0.529 10 0 BCAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Cc1cc[nH]n1 ZINC000173749185 176323137 /nfs/dbraw/zinc/32/31/37/176323137.db2.gz YTTCXLVJXXIOPM-ZYHUDNBSSA-N 1 0 248.330 0.647 10 0 BCAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC(C)(C)O ZINC000082699235 176323661 /nfs/dbraw/zinc/32/36/61/176323661.db2.gz WYUBIFVZIHVNGK-GHMZBOCLSA-N 1 0 212.337 0.926 10 0 BCAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1nccc(N)n1 ZINC000135079943 176323713 /nfs/dbraw/zinc/32/37/13/176323713.db2.gz NHAZSJLUZVAEBU-GHMZBOCLSA-N 1 0 247.346 0.727 10 0 BCAERO C[C@@H]1C[NH+]=C(NC[C@@H]2COCCO2)S1 ZINC000038062799 176323946 /nfs/dbraw/zinc/32/39/46/176323946.db2.gz CQJJHFKZUOLYNC-HTQZYQBOSA-N 1 0 216.306 0.483 10 0 BCAERO C[C@@H]1C[NH2+]CCN1C(=O)C1[C@@H]2CCC[C@H]12 ZINC000125041970 176325231 /nfs/dbraw/zinc/32/52/31/176325231.db2.gz KCFRPBNDTHMQGA-NFLHVTIKSA-N 1 0 208.305 0.853 10 0 BCAERO C[C@@H]1C[NH2+]CCN1C(=O)Cc1ccccn1 ZINC000054369707 176325946 /nfs/dbraw/zinc/32/59/46/176325946.db2.gz WUWJULRUJKFABH-SNVBAGLBSA-N 1 0 219.288 0.444 10 0 BCAERO C[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1C[C@@H]1C1CC1 ZINC000124873878 176326121 /nfs/dbraw/zinc/32/61/21/176326121.db2.gz ZYICVMBCOIIJDV-FBIMIBRVSA-N 1 0 208.305 0.853 10 0 BCAERO C[C@@H]1C[NH2+]CCN1CCc1ccncc1 ZINC000054374489 176327220 /nfs/dbraw/zinc/32/72/20/176327220.db2.gz QWHKSINKABSXNX-LLVKDONJSA-N 1 0 205.305 0.918 10 0 BCAERO C[C@@H]1C[NH2+]C[C@@H]1C(=O)NCCc1ccncc1 ZINC000104211435 176328446 /nfs/dbraw/zinc/32/84/46/176328446.db2.gz KLBMBWCNJJZGDC-PWSUYJOCSA-N 1 0 233.315 0.596 10 0 BCAERO C[C@@H]1C[NH2+]C[C@@H]1C(=O)NCCCOCC1CC1 ZINC000111263989 176328791 /nfs/dbraw/zinc/32/87/91/176328791.db2.gz GUODGYNLNJSJTG-PWSUYJOCSA-N 1 0 240.347 0.775 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@H]1CCCC[C@@H]1O ZINC000235291330 176329675 /nfs/dbraw/zinc/32/96/75/176329675.db2.gz WPRHUJCINSVNKR-KKOKHZNYSA-N 1 0 240.347 0.509 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@@]1(C)CCCO1 ZINC000227484814 176330075 /nfs/dbraw/zinc/33/00/75/176330075.db2.gz IDXUIEXYXXKNIM-CKYFFXLPSA-N 1 0 226.320 0.527 10 0 BCAERO C[C@@H]1CN[C@@H](C(=O)NC2CCCCCC2)C[NH2+]1 ZINC000062814366 176330643 /nfs/dbraw/zinc/33/06/43/176330643.db2.gz DLENKDSJRQQFOT-ZYHUDNBSSA-N 1 0 239.363 0.775 10 0 BCAERO C[C@@H]1COCCN1C(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000070252470 176333709 /nfs/dbraw/zinc/33/37/09/176333709.db2.gz MKIMJSJGGFQLHD-MNOVXSKESA-N 1 0 238.331 0.623 10 0 BCAERO C[C@@H]1COCCN1C(=O)C[NH2+]C1CCCC1 ZINC000037482170 176333742 /nfs/dbraw/zinc/33/37/42/176333742.db2.gz UCCBYVLWEZKCEC-SNVBAGLBSA-N 1 0 226.320 0.766 10 0 BCAERO C[C@@H]1COCCN1C(=O)CC[NH2+]C1CC1 ZINC000037478345 176333819 /nfs/dbraw/zinc/33/38/19/176333819.db2.gz YPBJGFYZTCVTRS-SECBINFHSA-N 1 0 212.293 0.376 10 0 BCAERO C[C@@H]1COCCN1Cc1ccoc1C[NH3+] ZINC000052475863 176337541 /nfs/dbraw/zinc/33/75/41/176337541.db2.gz WJUYAFGFCRHDBG-SECBINFHSA-N 1 0 210.277 0.959 10 0 BCAERO C[C@@H]1CSC[C@@H]1[NH2+]C[C@@H]1CN(C)CCO1 ZINC000336670602 176353419 /nfs/dbraw/zinc/35/34/19/176353419.db2.gz FUHJQHJHWSAQMV-MXWKQRLJSA-N 1 0 230.377 0.658 10 0 BCAERO C[C@@H]1C[C@@H](C)CN(S(=O)(=O)CC[NH3+])C1 ZINC000021950357 176362360 /nfs/dbraw/zinc/36/23/60/176362360.db2.gz LLVVIZRKKMQDDW-RKDXNWHRSA-N 1 0 220.338 0.253 10 0 BCAERO C[C@@H]1C[C@@H]1C[N@H+](C)CC(=O)N1CCC(=O)CC1 ZINC000104413673 176392354 /nfs/dbraw/zinc/39/23/54/176392354.db2.gz TUTLBONEXJZSGP-GHMZBOCLSA-N 1 0 238.331 0.766 10 0 BCAERO C[C@H]([NH2+][C@H]1CCC(=O)N[C@H]1C)[C@H]1CCCO1 ZINC000309393102 176455229 /nfs/dbraw/zinc/45/52/29/176455229.db2.gz GFOQNTMLSIWUNC-XWLWVQCSSA-N 1 0 226.320 0.811 10 0 BCAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]CCc1cccnc1 ZINC000282375178 176455283 /nfs/dbraw/zinc/45/52/83/176455283.db2.gz ODYRAJHQXNXANC-JQWIXIFHSA-N 1 0 233.315 0.881 10 0 BCAERO C[C@@]1([NH2+]CC2CCOCC2)CCS(=O)(=O)C1 ZINC000052172597 176539105 /nfs/dbraw/zinc/53/91/05/176539105.db2.gz BCBPBJMAKVMLGU-LLVKDONJSA-N 1 0 247.360 0.580 10 0 BCAERO C[C@H](C(=O)N[C@H]1CCCC[C@H]1[NH3+])n1cccn1 ZINC000252387962 176578614 /nfs/dbraw/zinc/57/86/14/176578614.db2.gz ZWBAJIXSPCPJNS-MXWKQRLJSA-N 1 0 236.319 0.830 10 0 BCAERO C[C@H](C(N)=O)n1ccc2c1CCC[C@H]2[NH3+] ZINC000041730918 176591055 /nfs/dbraw/zinc/59/10/55/176591055.db2.gz YVDBMBKYJGDZQN-VXNVDRBHSA-N 1 0 207.277 0.871 10 0 BCAERO C[C@H](CC[NH+](C)C)NC(=O)c1cc(N)cn1C ZINC000049551457 176625360 /nfs/dbraw/zinc/62/53/60/176625360.db2.gz OVSHAEBPXNOIJO-SECBINFHSA-N 1 0 238.335 0.677 10 0 BCAERO C[C@H](C[NH3+])C(=O)N1CCc2ncccc2C1 ZINC000054340050 176655569 /nfs/dbraw/zinc/65/55/69/176655569.db2.gz GHBFTGVHJSZHIJ-SECBINFHSA-N 1 0 219.288 0.561 10 0 BCAERO C[C@H](C[NH3+])C(=O)NC1(CO)CCCC1 ZINC000054345658 176656050 /nfs/dbraw/zinc/65/60/50/176656050.db2.gz WCWSECSPHGRXPN-MRVPVSSYSA-N 1 0 200.282 0.003 10 0 BCAERO C[C@H]([NH3+])CN1CCN(c2nccs2)CC1 ZINC000020072598 176760730 /nfs/dbraw/zinc/76/07/30/176760730.db2.gz AAIFSBHOGGWMPP-VIFPVBQESA-N 1 0 226.349 0.612 10 0 BCAERO C[C@H]([NH3+])Cc1noc(C2CCOCC2)n1 ZINC000061673833 176762985 /nfs/dbraw/zinc/76/29/85/176762985.db2.gz GLCDSINXEWBZCB-ZETCQYMHSA-N 1 0 211.265 0.853 10 0 BCAERO C[C@H](NC(=O)C[C@H]1CCC[NH2+]1)[C@H]1CCCO1 ZINC000249754008 176795048 /nfs/dbraw/zinc/79/50/48/176795048.db2.gz SNXDHEOELZUQNT-HBNTYKKESA-N 1 0 226.320 0.812 10 0 BCAERO C[C@H](NC(=O)[C@H]1CCC[C@H]1[NH3+])c1cnn(C)c1 ZINC000261551919 176813571 /nfs/dbraw/zinc/81/35/71/176813571.db2.gz MOZMPQKSCMDZPD-INTQDDNPSA-N 1 0 236.319 0.725 10 0 BCAERO C[C@@H]([NH2+][C@@H](C)C(=O)NC1CCCCC1)C(N)=O ZINC000035149268 176907624 /nfs/dbraw/zinc/90/76/24/176907624.db2.gz BHLDNDJICGBRPH-BDAKNGLRSA-N 1 0 241.335 0.287 10 0 BCAERO C[C@H](O)C1CCN(C(=O)[C@@]2(C)CC[NH2+]C2)CC1 ZINC000226332519 176948444 /nfs/dbraw/zinc/94/84/44/176948444.db2.gz YFEGULJMBVLCLM-GWCFXTLKSA-N 1 0 240.347 0.605 10 0 BCAERO C[C@H](O[C@H]1CCC[NH2+]C1)C(=O)N1CCCC1 ZINC000020422812 177021473 /nfs/dbraw/zinc/02/14/73/177021473.db2.gz KVTJZARWEFINSA-QWRGUYRKSA-N 1 0 226.320 0.766 10 0 BCAERO C[C@H](Oc1cccc(F)c1C[NH3+])C(N)=O ZINC000036307319 177024001 /nfs/dbraw/zinc/02/40/01/177024001.db2.gz DRZKPBNODSRWEF-LURJTMIESA-N 1 0 212.224 0.537 10 0 BCAERO C[C@H]([C@@H]1CCC[NH2+]C1)N1CCCS1(=O)=O ZINC000035688591 177031153 /nfs/dbraw/zinc/03/11/53/177031153.db2.gz CNUZMNWDMUMCPT-NXEZZACHSA-N 1 0 232.349 0.410 10 0 BCAERO C[C@H]([C@@H]1CCCC[NH2+]1)N1CCCNC1=O ZINC000043373337 177031198 /nfs/dbraw/zinc/03/11/98/177031198.db2.gz AUMMZAPSGVGSQP-ZJUUUORDSA-N 1 0 211.309 0.932 10 0 BCAERO C[C@H](c1cccnc1)N1CC[C@H]([NH3+])C1=O ZINC000049648715 177046742 /nfs/dbraw/zinc/04/67/42/177046742.db2.gz STBLYCOEKCZOQL-SCZZXKLOSA-N 1 0 205.261 0.702 10 0 BCAERO C[C@H](c1cnccn1)N1CCC[C@@H]1C[NH3+] ZINC000095068293 177051259 /nfs/dbraw/zinc/05/12/59/177051259.db2.gz LPHKPXRBYYEFSD-NXEZZACHSA-N 1 0 206.293 0.961 10 0 BCAERO C[C@H](c1cnccn1)N(C)[C@H]1CC[NH2+]C1 ZINC000095068191 177051643 /nfs/dbraw/zinc/05/16/43/177051643.db2.gz BDTJUIUZVIJCCX-ZJUUUORDSA-N 1 0 206.293 0.831 10 0 BCAERO C[C@@H](C1CC[NH2+]CC1)N1C(=O)C[C@H](C)C1=O ZINC000103378832 177062253 /nfs/dbraw/zinc/06/22/53/177062253.db2.gz VCLTXMKRDHMUDV-IUCAKERBSA-N 1 0 224.304 0.770 10 0 BCAERO C[C@H]1CC(=O)N(c2ccc(C[NH3+])cn2)C1=O ZINC000104912966 177062805 /nfs/dbraw/zinc/06/28/05/177062805.db2.gz PGHUKYDBRNYWMH-ZETCQYMHSA-N 1 0 219.244 0.440 10 0 BCAERO C[C@H]1CCCC[C@]1(C(N)=O)N1CCC[NH2+]CC1 ZINC000037943783 177090189 /nfs/dbraw/zinc/09/01/89/177090189.db2.gz BUCKMPOGYKADTN-AAEUAGOBSA-N 1 0 239.363 0.716 10 0 BCAERO C[C@H]1CCC[N@@H+]1C[C@H](O)Cn1cc(N)cn1 ZINC000037909960 177109420 /nfs/dbraw/zinc/10/94/20/177109420.db2.gz ATXSNXREEORRNU-ONGXEEELSA-N 1 0 224.308 0.311 10 0 BCAERO C[C@H]1CCC[NH2+][C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000052010723 177112809 /nfs/dbraw/zinc/11/28/09/177112809.db2.gz BIGCPIMWVLDCJW-USZNOCQGSA-N 1 0 240.347 0.794 10 0 BCAERO C[C@H]1CCC[NH2+][C@H]1C(=O)N1CCOCC1 ZINC000051791950 177113000 /nfs/dbraw/zinc/11/30/00/177113000.db2.gz JMGPBRPDUMTQKQ-VHSXEESVSA-N 1 0 212.293 0.233 10 0 BCAERO C[C@H]1CCC[C@@H]1NC(=O)[C@@H]1C[NH2+]CCO1 ZINC000070834103 177125266 /nfs/dbraw/zinc/12/52/66/177125266.db2.gz RIMAWJSSYSZINO-GUBZILKMSA-N 1 0 212.293 0.280 10 0 BCAERO C[C@H]1CCC[C@H](C(=O)N2CCC(O)CC2)[NH2+]1 ZINC000019430766 177129487 /nfs/dbraw/zinc/12/94/87/177129487.db2.gz DEDLGVFRMOHSEA-GXSJLCMTSA-N 1 0 226.320 0.500 10 0 BCAERO C[C@H]1CCC[C@H](N(C)S(=O)(=O)CC[NH3+])C1 ZINC000042494531 177135421 /nfs/dbraw/zinc/13/54/21/177135421.db2.gz WRKYJVZFWLRIPZ-UWVGGRQHSA-N 1 0 234.365 0.785 10 0 BCAERO C[C@H]1CCN(C(=O)N2CCOCC2)[C@H](C[NH3+])C1 ZINC000235620336 177148818 /nfs/dbraw/zinc/14/88/18/177148818.db2.gz OVHGFDQBGJAADT-QWRGUYRKSA-N 1 0 241.335 0.498 10 0 BCAERO C[C@H]1CCN(C(=O)c2ncccc2O)[C@@H](C[NH3+])C1 ZINC000235618721 177155998 /nfs/dbraw/zinc/15/59/98/177155998.db2.gz OBZKNAUMERICNX-VHSXEESVSA-N 1 0 249.314 0.987 10 0 BCAERO C[C@H]1CCN(CC(=O)NCC2CC2)[C@H](C[NH3+])C1 ZINC000111679782 177158703 /nfs/dbraw/zinc/15/87/03/177158703.db2.gz QEYNOQDJCWKZGB-JQWIXIFHSA-N 1 0 239.363 0.572 10 0 BCAERO C[C@H]1CCN(Cc2cnn(C)c2)[C@@H](C[NH3+])C1 ZINC000235615992 177167052 /nfs/dbraw/zinc/16/70/52/177167052.db2.gz ZOYDRKAZDXQDCG-CMPLNLGQSA-N 1 0 222.336 0.979 10 0 BCAERO C[C@H]1CCN(S(=O)(=O)C[C@@H]2CCCC[NH2+]2)C1 ZINC000049631243 177168148 /nfs/dbraw/zinc/16/81/48/177168148.db2.gz GGXVKJOUNFHQBB-QWRGUYRKSA-N 1 0 246.376 0.800 10 0 BCAERO C[C@H]1CC[C@@H](CN2CCCNC2=O)C[NH2+]1 ZINC000062037661 177188805 /nfs/dbraw/zinc/18/88/05/177188805.db2.gz RGVPBZAMJDXTPQ-VHSXEESVSA-N 1 0 211.309 0.790 10 0 BCAERO C[C@H]1CC[C@@H]([NH3+])C[C@@H]1C(=O)NC(C)(C)C(N)=O ZINC000055136380 177191887 /nfs/dbraw/zinc/19/18/87/177191887.db2.gz MHWXPSGNAMOJJB-YIZRAAEISA-N 1 0 241.335 0.130 10 0 BCAERO C[C@H](C[NH3+])C(=O)N1CCS[C@@H](C)C1 ZINC000123367646 177223682 /nfs/dbraw/zinc/22/36/82/177223682.db2.gz JNIWHORIPCVHRO-SFYZADRCSA-N 1 0 202.323 0.545 10 0 BCAERO C[C@H]1CC[C@H](C(=O)NCCC[NH+](C)C)O1 ZINC000121907170 177197385 /nfs/dbraw/zinc/19/73/85/177197385.db2.gz YOMXXRUDLTYTBF-VHSXEESVSA-N 1 0 214.309 0.622 10 0 BCAERO C[C@H]1CC[C@H]([NH2+][C@@H]2CCS(=O)(=O)C2)C1 ZINC000080425584 177205307 /nfs/dbraw/zinc/20/53/07/177205307.db2.gz VBWUIDJXZMRSSL-LPEHRKFASA-N 1 0 217.334 0.952 10 0 BCAERO C[C@H]1CN(C(=O)C2CCC([NH3+])CC2)CCO1 ZINC000037481665 177212988 /nfs/dbraw/zinc/21/29/88/177212988.db2.gz RUQWGLSGRZOXAH-WHXUTIOJSA-N 1 0 226.320 0.751 10 0 BCAERO C[C@@H]1CN(C(=O)N2CC[NH2+]CC2)C[C@H](C)O1 ZINC000022145132 177220145 /nfs/dbraw/zinc/22/01/45/177220145.db2.gz OUTHTUPIRRKWCP-AOOOYVTPSA-N 1 0 227.308 0.121 10 0 BCAERO C[C@H]1CN(C(=O)[C@H]2CC[NH2+]C2)CC(C)(C)O1 ZINC000062116695 177224842 /nfs/dbraw/zinc/22/48/42/177224842.db2.gz AWANLIBPCITDMQ-UWVGGRQHSA-N 1 0 226.320 0.622 10 0 BCAERO C[C@H]1CN(C(=O)[C@]2(C)CCC[NH2+]C2)CCN1C ZINC000104126153 177225636 /nfs/dbraw/zinc/22/56/36/177225636.db2.gz AASQUTYLUTYHIG-WCQYABFASA-N 1 0 239.363 0.539 10 0 BCAERO C[C@H]1CN(C(=O)c2ccc(=O)[nH]c2)C[C@H]1[NH+](C)C ZINC000089710041 177226415 /nfs/dbraw/zinc/22/64/15/177226415.db2.gz PXYXFGSOTFSTIH-GXSJLCMTSA-N 1 0 249.314 0.397 10 0 BCAERO C[C@H]1CN(C)CCN1C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000227433269 177233071 /nfs/dbraw/zinc/23/30/71/177233071.db2.gz DLJSDBPXRHDTFW-QJPTWQEYSA-N 1 0 239.363 0.524 10 0 BCAERO CC(C)(C)[C@H](O)CNC(=O)[C@@H]([NH3+])CC(F)F ZINC000324645068 487637289 /nfs/dbraw/zinc/63/72/89/487637289.db2.gz YNGFYYLEAQSQRZ-NKWVEPMBSA-N 1 0 238.278 0.492 10 0 BCAERO C[C@@H]1C[N@@H+](C[C@]2(CO)CCCOC2)C[C@H](C)O1 ZINC000104325033 177259659 /nfs/dbraw/zinc/25/96/59/177259659.db2.gz MDTVRGKFWQOVAG-XQQFMLRXSA-N 1 0 243.347 0.885 10 0 BCAERO C[C@H]1CN([C@@H](C[NH3+])c2ccncc2)CCO1 ZINC000043352928 177275385 /nfs/dbraw/zinc/27/53/85/177275385.db2.gz WOAYDKSOBUWKNJ-JQWIXIFHSA-N 1 0 221.304 0.802 10 0 BCAERO C[C@H]1CN([C@]2(C[NH3+])CCSC2)CCO1 ZINC000034679248 177275871 /nfs/dbraw/zinc/27/58/71/177275871.db2.gz LTTUTPOSRUEIHW-UWVGGRQHSA-N 1 0 216.350 0.542 10 0 BCAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cnccn1 ZINC000247477958 177280198 /nfs/dbraw/zinc/28/01/98/177280198.db2.gz SJJSKMDBIDDYOK-QWRGUYRKSA-N 1 0 246.314 0.785 10 0 BCAERO C[C@H]1C[NH2+]CCN1C(=O)[C@@H]1C[C@@H]1C1CC1 ZINC000125985803 177283096 /nfs/dbraw/zinc/28/30/96/177283096.db2.gz ZYICVMBCOIIJDV-JMJZKYOTSA-N 1 0 208.305 0.853 10 0 BCAERO C[C@@H]1C[C@@H](C(=O)N2CCOC[C@@H]2C)CC[C@@H]1[NH3+] ZINC000055127599 177289795 /nfs/dbraw/zinc/28/97/95/177289795.db2.gz FBHCYKHIMJCATB-RHYQMDGZSA-N 1 0 240.347 0.997 10 0 BCAERO C[C@H]1COCCN1C(=O)[C@@H]1CCC[NH2+]C1 ZINC000035776677 177290140 /nfs/dbraw/zinc/29/01/40/177290140.db2.gz UIDNNEBGOIJKTJ-VHSXEESVSA-N 1 0 212.293 0.233 10 0 BCAERO C[C@H]1COCCN1CCN1CCC[NH2+]CC1 ZINC000061275017 177290956 /nfs/dbraw/zinc/29/09/56/177290956.db2.gz ACPWVTKKDFUGJZ-LBPRGKRZSA-N 1 0 227.352 0.002 10 0 BCAERO C[C@H]1COCCN1[C@@H](C[NH3+])C1CCOCC1 ZINC000052177051 177293811 /nfs/dbraw/zinc/29/38/11/177293811.db2.gz FMEYLOBCSVRTPD-JQWIXIFHSA-N 1 0 228.336 0.461 10 0 BCAERO C[C@@H]1CN(C(=O)[C@@H]2CC[NH2+]C2)[C@@H](C)CO1 ZINC000062112877 177301295 /nfs/dbraw/zinc/30/12/95/177301295.db2.gz FSEFLLAKFPOVLP-IVZWLZJFSA-N 1 0 212.293 0.232 10 0 BCAERO C[C@H]1CSC(NCc2nncn2C)=[NH+]1 ZINC000050420772 177303091 /nfs/dbraw/zinc/30/30/91/177303091.db2.gz IEHLKONEKZZDMS-LURJTMIESA-N 1 0 211.294 0.396 10 0 BCAERO C[C@H]1C[C@@H](C(=O)N2CCO[C@@H](C)C2)CC[NH2+]1 ZINC000235684950 177307659 /nfs/dbraw/zinc/30/76/59/177307659.db2.gz VRTPZZAKGDZENY-DCAQKATOSA-N 1 0 226.320 0.622 10 0 BCAERO C[C@H]1C[C@@H]1NS(=O)(=O)c1ccc(C[NH3+])cc1 ZINC000052287443 177349739 /nfs/dbraw/zinc/34/97/39/177349739.db2.gz YRAXKEHEVDDJPE-KWQFWETISA-N 1 0 240.328 0.832 10 0 BCAERO C[C@H]1C[C@H](C(=O)N2CCOC[C@@H]2C)CC[C@@H]1[NH3+] ZINC000055127598 177353179 /nfs/dbraw/zinc/35/31/79/177353179.db2.gz FBHCYKHIMJCATB-YFKTTZPYSA-N 1 0 240.347 0.997 10 0 BCAERO C[C@H]1C[C@H]1C[N@H+](C)CC(=O)N1CCC(=O)CC1 ZINC000104413680 177378685 /nfs/dbraw/zinc/37/86/85/177378685.db2.gz TUTLBONEXJZSGP-QWRGUYRKSA-N 1 0 238.331 0.766 10 0 BCAERO C[C@H]1NC(=O)CC[C@@H]1[NH2+]Cc1ccn(C)n1 ZINC000336737245 177393262 /nfs/dbraw/zinc/39/32/62/177393262.db2.gz JHKRTDQGUYXYKO-SCZZXKLOSA-N 1 0 222.292 0.177 10 0 BCAERO C[C@H]1NC(=O)CC[C@@H]1[NH2+]Cc1cncn1C ZINC000309733706 177393319 /nfs/dbraw/zinc/39/33/19/177393319.db2.gz BTMODAKAXNFMSB-SCZZXKLOSA-N 1 0 222.292 0.177 10 0 BCAERO C[C@H]1NC(=O)CC[C@@H]1[NH2+]CCn1ccnc1 ZINC000309817391 177393730 /nfs/dbraw/zinc/39/37/30/177393730.db2.gz VNRRZQMKWIWNPD-ZJUUUORDSA-N 1 0 222.292 0.140 10 0 BCAERO C[C@H]1NC(=O)CC[C@H]1[NH2+]Cc1nccs1 ZINC000282210572 177393861 /nfs/dbraw/zinc/39/38/61/177393861.db2.gz DJWOCBHLUMACDO-HTQZYQBOSA-N 1 0 225.317 0.900 10 0 BCAERO C[C@H]1NC(=O)CC[C@H]1[NH2+]C/C=C/Cl ZINC000282197906 177394403 /nfs/dbraw/zinc/39/44/03/177394403.db2.gz CMHTVRHECSMXKS-NNHTYMAWSA-N 1 0 202.685 0.996 10 0 BCAERO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)NC1CCC1 ZINC000127907517 177395392 /nfs/dbraw/zinc/39/53/92/177395392.db2.gz URQLBJWVIVQJBY-SCZZXKLOSA-N 1 0 211.309 0.979 10 0 BCAERO C[C@H]1OCC[C@H]1[NH2+]Cc1cc(=O)c(O)co1 ZINC000292046718 177407779 /nfs/dbraw/zinc/40/77/79/177407779.db2.gz APSACLLTTGDFEW-VXNVDRBHSA-N 1 0 225.244 0.612 10 0 BCAERO C[C@]1(C(=O)N(CCO)C2CCCC2)CC[NH2+]C1 ZINC000062896353 177452310 /nfs/dbraw/zinc/45/23/10/177452310.db2.gz YOSBVPRPIJMEEO-ZDUSSCGKSA-N 1 0 240.347 0.750 10 0 BCAERO C[C@]1(C(=O)NC[C@@H]2CCC[C@H]2O)CCC[NH2+]C1 ZINC000250805137 177455087 /nfs/dbraw/zinc/45/50/87/177455087.db2.gz QSXXWHFFCTURTI-LOWVWBTDSA-N 1 0 240.347 0.653 10 0 BCAERO Cc1c(C[NH2+]C[C@H]2CCC[C@@H]2O)cnn1C ZINC000086552171 177591193 /nfs/dbraw/zinc/59/11/93/177591193.db2.gz QDBZUDDCPKZBQU-PWSUYJOCSA-N 1 0 223.320 0.979 10 0 BCAERO O=C(CC[NH2+]C1CC1)NCC[C@@H]1CCCO1 ZINC000038097090 487641430 /nfs/dbraw/zinc/64/14/30/487641430.db2.gz PTMBRZRVOOCJNA-NSHDSACASA-N 1 0 226.320 0.814 10 0 BCAERO CC(C)[C@@H]([NH3+])Cc1nc(-c2ncc[nH]2)no1 ZINC000087344459 487642916 /nfs/dbraw/zinc/64/29/16/487642916.db2.gz WIGYKTWJDNAENY-ZETCQYMHSA-N 1 0 221.264 0.986 10 0 BCAERO Cc1nnc2c(NC3CC[NH2+]CC3)nccn12 ZINC000079470905 487648251 /nfs/dbraw/zinc/64/82/51/487648251.db2.gz FZPCSXHWHBVFCB-UHFFFAOYSA-N 1 0 232.291 0.597 10 0 BCAERO CO[C@H]1C[C@@H](CO)[N@H+](C[C@H]2CCCO2)C1 ZINC000495466778 226281421 /nfs/dbraw/zinc/28/14/21/226281421.db2.gz QZARUOSHPIIMJO-AXFHLTTASA-N 1 0 215.293 0.247 10 0 BCAERO Cc1cnn(CCN[C@@H](C)[C@H]2CCC[NH2+]2)c1 ZINC000400483598 226344576 /nfs/dbraw/zinc/34/45/76/226344576.db2.gz CRGBVLARAHNMJU-NWDGAFQWSA-N 1 0 222.336 0.922 10 0 BCAERO C[C@H]([NH2+]C[C@@H](O)C(C)(C)C)[C@H]1CC[NH2+]C1 ZINC000400754095 226351302 /nfs/dbraw/zinc/35/13/02/226351302.db2.gz WKUBIDVZUUTCMQ-GARJFASQSA-N 1 0 214.353 0.981 10 0 BCAERO CCc1nnc(CN2C[C@H](O)C[C@@H]2CO)s1 ZINC000680886471 487664765 /nfs/dbraw/zinc/66/47/65/487664765.db2.gz ORGQBFMXHSOOHJ-HTQZYQBOSA-N 1 0 243.332 0.028 10 0 BCAERO CCN1CC[N@H+](CC2(O)CCC2)C[C@H]1C ZINC000675069243 487667024 /nfs/dbraw/zinc/66/70/24/487667024.db2.gz SDJDJQXHWBACGW-LLVKDONJSA-N 1 0 212.337 0.927 10 0 BCAERO C[C@@H]1CN(CCCc2cncn2C)C[C@@H]1[NH3+] ZINC000314925467 487670355 /nfs/dbraw/zinc/67/03/55/487670355.db2.gz QBBBQMYRKUNPEO-PWSUYJOCSA-N 1 0 222.336 0.632 10 0 BCAERO C[C@H]1C[C@H]1NC(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000087638923 487672685 /nfs/dbraw/zinc/67/26/85/487672685.db2.gz IWDNPWCCYRWDLA-VHSXEESVSA-N 1 0 225.336 0.195 10 0 BCAERO CN(C)C(=O)C[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000398744792 262768529 /nfs/dbraw/zinc/76/85/29/262768529.db2.gz RMRRCMHXBYJWTK-GARJFASQSA-N 1 0 226.320 0.167 10 0 BCAERO O=C(CCc1ccco1)NC[C@@H]1CC[NH2+]C1 ZINC000087654803 487675371 /nfs/dbraw/zinc/67/53/71/487675371.db2.gz QFDFWJSPHAHXFP-SNVBAGLBSA-N 1 0 222.288 0.938 10 0 BCAERO C[NH2+][C@H](C)C(=O)N[C@@H](C)c1cccnc1 ZINC000054072186 487681302 /nfs/dbraw/zinc/68/13/02/487681302.db2.gz DMZMHTIQLURTAT-DTWKUNHWSA-N 1 0 207.277 0.867 10 0 BCAERO CCN(C[C@@H]1CCCO1)C(=O)[C@@H](C)[NH2+]C ZINC000054076563 487683920 /nfs/dbraw/zinc/68/39/20/487683920.db2.gz YAFPVQDOSDXHCI-ZJUUUORDSA-N 1 0 214.309 0.622 10 0 BCAERO C[C@@H](NC(=O)[C@@H]1C[NH2+]CCOC1)C1CC1 ZINC000643622029 487685670 /nfs/dbraw/zinc/68/56/70/487685670.db2.gz SKEVFUKMRSLVKM-PSASIEDQSA-N 1 0 212.293 0.137 10 0 BCAERO CCN(CC(=O)N(C)C)C(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000097093211 487687928 /nfs/dbraw/zinc/68/79/28/487687928.db2.gz GVWNLEPGJSISJU-ZJUUUORDSA-N 1 0 241.335 0.051 10 0 BCAERO CC[C@H](C)NC(=O)C[N@@H+]1C[C@H](O)CC[C@H]1C ZINC000399211579 262779777 /nfs/dbraw/zinc/77/97/77/262779777.db2.gz GGOHOZAEGKUREK-HBNTYKKESA-N 1 0 228.336 0.746 10 0 BCAERO CCN(CC)C(=O)C[N@@H+]1C[C@H](O)CC[C@H]1C ZINC000399207783 262779782 /nfs/dbraw/zinc/77/97/82/262779782.db2.gz DXQWNYJRCCODKD-GHMZBOCLSA-N 1 0 228.336 0.700 10 0 BCAERO COC[C@H]([NH3+])C(=O)Nc1cnn(C(C)C)c1 ZINC000088004190 487698242 /nfs/dbraw/zinc/69/82/42/487698242.db2.gz QSERFVWLLHJLBT-VIFPVBQESA-N 1 0 226.280 0.376 10 0 BCAERO CN(CCC(C)(C)C)[C@H]1C[NH2+]C[C@@H]1O ZINC000399657381 262841930 /nfs/dbraw/zinc/84/19/30/262841930.db2.gz DWKSFDDPILHPGW-UWVGGRQHSA-N 1 0 200.326 0.687 10 0 BCAERO CC(C)[C@@H]([NH3+])C(=O)N[C@@H]1CCC[C@@H](O)C1 ZINC000083891300 487701005 /nfs/dbraw/zinc/70/10/05/487701005.db2.gz PUAXPBKHJVPPNI-OPRDCNLKSA-N 1 0 214.309 0.389 10 0 BCAERO CC(C)(CO)C[NH2+][C@@H]1CCCC[C@H]1O ZINC000088170668 487708534 /nfs/dbraw/zinc/70/85/34/487708534.db2.gz YVSDHDBHKDWZBW-NXEZZACHSA-N 1 0 201.310 0.898 10 0 BCAERO C[C@H]1C[C@@H]1NC(=O)COC1CC[NH2+]CC1 ZINC000082665935 487715004 /nfs/dbraw/zinc/71/50/04/487715004.db2.gz XTQJTLHNCYSIIH-WPRPVWTQSA-N 1 0 212.293 0.280 10 0 BCAERO CCNC(=O)[C@H](C)NC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000250227701 487728045 /nfs/dbraw/zinc/72/80/45/487728045.db2.gz FSKDZUZKXQILLU-LPEHRKFASA-N 1 0 241.335 0.002 10 0 BCAERO CN(C(=O)[C@@H]1CCC[C@H]1C[NH3+])[C@H]1CCOC1 ZINC000250417630 487731804 /nfs/dbraw/zinc/73/18/04/487731804.db2.gz OTAYULSNMLWJON-GARJFASQSA-N 1 0 226.320 0.609 10 0 BCAERO CC(C)[C@@H](O)C[N@@H+]1CC[C@@H](N(C)C)C1 ZINC000226404058 487734127 /nfs/dbraw/zinc/73/41/27/487734127.db2.gz PHHXBPTUVWMXRD-MNOVXSKESA-N 1 0 200.326 0.639 10 0 BCAERO [NH3+][C@@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H](O)C1 ZINC000250629278 487736317 /nfs/dbraw/zinc/73/63/17/487736317.db2.gz CMQWBDHFFKHEQA-ZRUFSTJUSA-N 1 0 226.320 0.534 10 0 BCAERO CN1CCC[C@H]([NH2+][C@@H]2CCCC[C@H]2O)C1 ZINC000250616158 487736801 /nfs/dbraw/zinc/73/68/01/487736801.db2.gz NZMROSAWTSQJLS-QJPTWQEYSA-N 1 0 212.337 0.974 10 0 BCAERO CC(C)[C@@H]([NH3+])CC(=O)N[C@@H]1CCC(=O)N(C)C1 ZINC000136472571 487737013 /nfs/dbraw/zinc/73/70/13/487737013.db2.gz HYYXTHFTLFMARX-ZJUUUORDSA-N 1 0 241.335 0.097 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)N[C@H]1CCCOC1 ZINC000250656453 487737863 /nfs/dbraw/zinc/73/78/63/487737863.db2.gz OAVFCYJZJDWYQP-GARJFASQSA-N 1 0 226.320 0.657 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)NC[C@H]1CCCO1 ZINC000250657078 487737950 /nfs/dbraw/zinc/73/79/50/487737950.db2.gz OIDAWEMTAWZJLU-AXFHLTTASA-N 1 0 226.320 0.657 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N[C@H]1CCCOC1 ZINC000250656450 487737721 /nfs/dbraw/zinc/73/77/21/487737721.db2.gz OAVFCYJZJDWYQP-DCAQKATOSA-N 1 0 226.320 0.657 10 0 BCAERO C[C@@H]1OCC[C@@H]1[NH2+][C@H]1CCC(=O)NC1(C)C ZINC000309815612 487738424 /nfs/dbraw/zinc/73/84/24/487738424.db2.gz VFCIVWCWVWRXAF-GUBZILKMSA-N 1 0 226.320 0.811 10 0 BCAERO [NH3+][C@@H]1CCC[C@@H]1C(=O)N[C@H]1CCCOC1 ZINC000250682658 487739284 /nfs/dbraw/zinc/73/92/84/487739284.db2.gz ZCWVEVFKGKCEPW-LPEHRKFASA-N 1 0 212.293 0.409 10 0 BCAERO CCCCOC[C@H](O)C[N@H+](C)C[C@@H](O)C1CC1 ZINC000683995353 487739238 /nfs/dbraw/zinc/73/92/38/487739238.db2.gz NVVNPDSPEAGORX-CHWSQXEVSA-N 1 0 245.363 0.867 10 0 BCAERO NS(=O)(=O)CCC[N@@H+]1C[C@@H]2CCC[C@H]21 ZINC000675498324 487742716 /nfs/dbraw/zinc/74/27/16/487742716.db2.gz POSPRURCEZJFLQ-DTWKUNHWSA-N 1 0 218.322 0.149 10 0 BCAERO NS(=O)(=O)CCC[N@@H+]1C[C@H]2CCC[C@@H]21 ZINC000675498308 487742751 /nfs/dbraw/zinc/74/27/51/487742751.db2.gz POSPRURCEZJFLQ-BDAKNGLRSA-N 1 0 218.322 0.149 10 0 BCAERO CC1(C(=O)NCC[C@@H]2CCCO2)C[NH2+]C1 ZINC000399334067 487744199 /nfs/dbraw/zinc/74/41/99/487744199.db2.gz ZOXCZUOYZUUZSE-VIFPVBQESA-N 1 0 212.293 0.281 10 0 BCAERO C[C@H](C(=O)N[C@@H]1CCC[C@H]1C[NH3+])n1cncn1 ZINC000251028233 487745744 /nfs/dbraw/zinc/74/57/44/487745744.db2.gz IRTDFHLPKNMXHT-KXUCPTDWSA-N 1 0 237.307 0.083 10 0 BCAERO CC[C@H](O)C[NH2+]C[C@H]1CCCC[C@H]1O ZINC000251098741 487748595 /nfs/dbraw/zinc/74/85/95/487748595.db2.gz QUAGMYPJOFPVOL-OUAUKWLOSA-N 1 0 201.310 0.898 10 0 BCAERO CN(C(=O)[C@@H]1C[C@H]2C[C@H]2C1)C1CC([NH3+])C1 ZINC000384874007 487752525 /nfs/dbraw/zinc/75/25/25/487752525.db2.gz GUTPCCJYUIZCAZ-SALVPMTQSA-N 1 0 208.305 0.981 10 0 BCAERO C[C@@H]1OCC[C@@H]1NC(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000226458616 487753259 /nfs/dbraw/zinc/75/32/59/487753259.db2.gz SQKBRJPWVAEUSP-YTWAJWBKSA-N 1 0 226.320 0.668 10 0 BCAERO C[C@H]1C[NH+](CC2(O)CCC2)C[C@H](C)C1O ZINC000661622174 487755966 /nfs/dbraw/zinc/75/59/66/487755966.db2.gz RIBIYXMTBMFZAK-UWVGGRQHSA-N 1 0 213.321 0.850 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)Cc1ccncc1 ZINC000089091173 487760631 /nfs/dbraw/zinc/76/06/31/487760631.db2.gz WMGBKQHQXVIJPW-NWDGAFQWSA-N 1 0 233.315 0.868 10 0 BCAERO Cc1nc(C)c(C(=O)N2CC[C@@H]([NH3+])[C@H]2C)o1 ZINC000380847392 487761470 /nfs/dbraw/zinc/76/14/70/487761470.db2.gz WVGJIRQGDWWONZ-VXNVDRBHSA-N 1 0 223.276 0.853 10 0 BCAERO O[C@H](C[NH2+]C[C@@H]1CCC[C@@H]1O)C[NH+]1CCCC1 ZINC000089169183 487765113 /nfs/dbraw/zinc/76/51/13/487765113.db2.gz GDOUPAYQYPQPMN-XQQFMLRXSA-N 1 0 242.363 0.194 10 0 BCAERO CC(C)[NH2+]CC(=O)NC[C@@H]1CCCC[C@H]1O ZINC000082995165 487769370 /nfs/dbraw/zinc/76/93/70/487769370.db2.gz NIKHPVTULINAGN-WDEREUQCSA-N 1 0 228.336 0.652 10 0 BCAERO C[C@H](O)CCNC(=O)CC[NH2+]C1CC1 ZINC000082996231 487769399 /nfs/dbraw/zinc/76/93/99/487769399.db2.gz KTGRKQBRZCGYEA-QMMMGPOBSA-N 1 0 200.282 0.016 10 0 BCAERO CC(C)([NH3+])CC(=O)NC[C@H]1CCCC[C@H]1O ZINC000082995069 487769646 /nfs/dbraw/zinc/76/96/46/487769646.db2.gz BXBGLKARDZAAMB-NXEZZACHSA-N 1 0 228.336 0.781 10 0 BCAERO C[C@H](O)CCNC(=O)[C@]1(C)CCC[NH2+]1 ZINC000082996379 487769706 /nfs/dbraw/zinc/76/97/06/487769706.db2.gz OPUMSCSDYXXUBG-WPRPVWTQSA-N 1 0 200.282 0.016 10 0 BCAERO [NH3+]C[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCCC[C@@H]1O ZINC000227321995 487771361 /nfs/dbraw/zinc/77/13/61/487771361.db2.gz MGLPQFKYHUTRSZ-RHYQMDGZSA-N 1 0 240.347 0.781 10 0 BCAERO [NH3+][C@@H]1CC[C@H](C(=O)N[C@H]2CCCC[C@@H]2O)C1 ZINC000227321958 487771517 /nfs/dbraw/zinc/77/15/17/487771517.db2.gz SPPIMLKNKHGWLF-VLEAKVRGSA-N 1 0 226.320 0.534 10 0 BCAERO C[C@H](NC(=O)[C@@H]1CCC[C@H]1C[NH3+])c1nc[nH]n1 ZINC000300409276 487782141 /nfs/dbraw/zinc/78/21/41/487782141.db2.gz TUOCCWZEUQPJEN-XHNCKOQMSA-N 1 0 237.307 0.357 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC000385578677 487790333 /nfs/dbraw/zinc/79/03/33/487790333.db2.gz SHVPYKONVGXTFK-QUARPLMYSA-N 1 0 224.304 0.122 10 0 BCAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC000385601713 487791272 /nfs/dbraw/zinc/79/12/72/487791272.db2.gz ZISSOMCGEXTVJL-FBDQPXRJSA-N 1 0 224.304 0.136 10 0 BCAERO CN(C(=O)Cc1cc[nH]n1)[C@H]1CCC[NH2+]CC1 ZINC000435753673 487793688 /nfs/dbraw/zinc/79/36/88/487793688.db2.gz ATXBUPHIOWRWAC-NSHDSACASA-N 1 0 236.319 0.553 10 0 BCAERO C[C@@H]1CN(C(=O)[C@@H]2CCC[C@H]2C[NH3+])[C@H](C)CO1 ZINC000251799269 487798517 /nfs/dbraw/zinc/79/85/17/487798517.db2.gz XTSFAFRLFUJMIC-WISYIIOYSA-N 1 0 240.347 0.997 10 0 BCAERO C[C@H]1[NH2+]CCC[C@@H]1C(=O)NCCOCCF ZINC000663005838 487805339 /nfs/dbraw/zinc/80/53/39/487805339.db2.gz YFRYYMXRTMWWIS-ZJUUUORDSA-N 1 0 232.299 0.477 10 0 BCAERO CCN1CCN(C(=O)[C@H]2CCC[C@H]2C[NH3+])CC1 ZINC000089449817 487817120 /nfs/dbraw/zinc/81/71/20/487817120.db2.gz BESPJRYKIPFIBA-RYUDHWBXSA-N 1 0 239.363 0.526 10 0 BCAERO C[C@@H]1CN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])[C@@H](C)CO1 ZINC000089450761 487817791 /nfs/dbraw/zinc/81/77/91/487817791.db2.gz XTSFAFRLFUJMIC-IRCOFANPSA-N 1 0 240.347 0.997 10 0 BCAERO CCCNC(=O)CNC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089450647 487817874 /nfs/dbraw/zinc/81/78/74/487817874.db2.gz NMQUBKGHPAJWTB-NXEZZACHSA-N 1 0 241.335 0.004 10 0 BCAERO Cc1cc(NC[C@H]2CCCC[NH2+]2)n2ncnc2n1 ZINC000044493032 487820275 /nfs/dbraw/zinc/82/02/75/487820275.db2.gz XXUCHCUFVKGLDF-SNVBAGLBSA-N 1 0 246.318 0.987 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)NCCn1ccnc1 ZINC000089460286 487822416 /nfs/dbraw/zinc/82/24/16/487822416.db2.gz ZDWMLPKRQGQDAX-QWRGUYRKSA-N 1 0 236.319 0.374 10 0 BCAERO Cc1cc(CNC(=O)[C@H]2CCC[C@H]2C[NH3+])on1 ZINC000089461045 487823950 /nfs/dbraw/zinc/82/39/50/487823950.db2.gz IDQIUBDGAPCWML-ONGXEEELSA-N 1 0 237.303 0.974 10 0 BCAERO CO[C@H](C)C[NH2+]C[C@H](O)COCc1ccco1 ZINC000224177676 487824477 /nfs/dbraw/zinc/82/44/77/487824477.db2.gz MPNUZJXPTJKHOL-MNOVXSKESA-N 1 0 243.303 0.782 10 0 BCAERO O=C1NCC[C@H]1[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000676234777 487825514 /nfs/dbraw/zinc/82/55/14/487825514.db2.gz NSMBAGUGYZQYOE-SNVBAGLBSA-N 1 0 248.282 0.436 10 0 BCAERO C[NH2+][C@H](C)CNC(=O)CC1(OC)CCC1 ZINC000234426360 487825754 /nfs/dbraw/zinc/82/57/54/487825754.db2.gz RCIWKSZTLBXZCE-SECBINFHSA-N 1 0 214.309 0.670 10 0 BCAERO C[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H]1CCCC[C@H]1O ZINC000252590029 487826796 /nfs/dbraw/zinc/82/67/96/487826796.db2.gz CJUPCCVTDSXBSC-FIQHERPVSA-N 1 0 240.347 0.652 10 0 BCAERO C[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H]1CCCOC1 ZINC000252614536 487828013 /nfs/dbraw/zinc/82/80/13/487828013.db2.gz YFBUFTPXTCXSTA-GUBZILKMSA-N 1 0 212.293 0.280 10 0 BCAERO O[C@@H]1CCC[C@H]1N1CC[N@@H+]2CCC[C@H]2C1 ZINC000252659201 487828275 /nfs/dbraw/zinc/82/82/75/487828275.db2.gz WTVFJAAJPIOBLR-QJPTWQEYSA-N 1 0 210.321 0.680 10 0 BCAERO C[C@@H]1OCC[C@H]1NC(=O)[C@H]1CC[NH2+][C@H]1C ZINC000252744595 487832732 /nfs/dbraw/zinc/83/27/32/487832732.db2.gz OCZQXHUACZJHIM-AATLWQCWSA-N 1 0 212.293 0.278 10 0 BCAERO COC1(CC(=O)N2CCC[C@H]2C[NH3+])CCC1 ZINC000234576686 487840885 /nfs/dbraw/zinc/84/08/85/487840885.db2.gz NRYVTSLZODHJMV-JTQLQIEISA-N 1 0 226.320 0.895 10 0 BCAERO COC1(CC(=O)N2C[C@@H](C)[C@@H]([NH3+])C2)CCC1 ZINC000234586344 487841329 /nfs/dbraw/zinc/84/13/29/487841329.db2.gz HAPKPGJYVQFQIN-ZJUUUORDSA-N 1 0 226.320 0.751 10 0 BCAERO COC[C@@H](CN1CC[N@@H+]2CCC[C@@H]2C1)OC ZINC000234696751 487855259 /nfs/dbraw/zinc/85/52/59/487855259.db2.gz IESVJFRWGBYOBM-VXGBXAGGSA-N 1 0 228.336 0.428 10 0 BCAERO C[C@H]1CN(C(=O)CCCCO)C[C@H]1[NH+](C)C ZINC000125309983 487890103 /nfs/dbraw/zinc/89/01/03/487890103.db2.gz PUTBXYJNBICVFY-WDEREUQCSA-N 1 0 228.336 0.558 10 0 BCAERO C[C@@H]1CC[NH2+][C@H](C(=O)N[C@@H]2CCC[C@@H](O)C2)C1 ZINC000229227243 487895156 /nfs/dbraw/zinc/89/51/56/487895156.db2.gz RFHKNXBZJMGOJF-KKOKHZNYSA-N 1 0 240.347 0.794 10 0 BCAERO Cc1nc(CNC(=O)[C@H]2CCC[C@H]2C[NH3+])no1 ZINC000227428772 487898656 /nfs/dbraw/zinc/89/86/56/487898656.db2.gz JAXCDADIDCLKJH-IUCAKERBSA-N 1 0 238.291 0.369 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)N[C@@H]1CCSC1 ZINC000227428941 487899056 /nfs/dbraw/zinc/89/90/56/487899056.db2.gz PXORRLBLKYEFEZ-IVZWLZJFSA-N 1 0 228.361 0.983 10 0 BCAERO [NH3+][C@@H]1CCC[C@H](C(=O)NCC2(CO)CC2)C1 ZINC000133103319 487901499 /nfs/dbraw/zinc/90/14/99/487901499.db2.gz GITWULMYHCDPQY-VHSXEESVSA-N 1 0 226.320 0.393 10 0 BCAERO Cc1ccnc(N2CC[C@H]3OCC[NH2+][C@H]3C2)n1 ZINC000403977894 487904400 /nfs/dbraw/zinc/90/44/00/487904400.db2.gz ADVGHIQLFWRNHJ-WDEREUQCSA-N 1 0 234.303 0.352 10 0 BCAERO CC(C)[C@@H]1C[NH2+]CCN1c1ncccn1 ZINC000083344860 487904902 /nfs/dbraw/zinc/90/49/02/487904902.db2.gz HGEDQQUHEFDKJQ-JTQLQIEISA-N 1 0 206.293 0.911 10 0 BCAERO CN(Cc1ncc[nH]1)C(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000080530549 487911432 /nfs/dbraw/zinc/91/14/32/487911432.db2.gz OYHJZXBDKOTKSI-VHSXEESVSA-N 1 0 236.319 0.886 10 0 BCAERO CCC[C@H](C)NC(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O ZINC000668541706 487912788 /nfs/dbraw/zinc/91/27/88/487912788.db2.gz UXPOAKHDOUWSDL-GUBZILKMSA-N 1 0 229.324 0.149 10 0 BCAERO CC[C@](C)(O)Cn1cc(C(C)(C)[NH3+])nn1 ZINC000229424461 487914236 /nfs/dbraw/zinc/91/42/36/487914236.db2.gz IKFNIFRWVQUZSV-JTQLQIEISA-N 1 0 212.297 0.633 10 0 BCAERO C[C@@H](NC(=O)[C@H]1CCC[NH2+]1)[C@H]1CCCO1 ZINC000157544878 487914708 /nfs/dbraw/zinc/91/47/08/487914708.db2.gz HSDGQMIVYIXKJI-OPRDCNLKSA-N 1 0 212.293 0.422 10 0 BCAERO CCc1nsc(N(CC)CC[NH3+])n1 ZINC000083675723 487927259 /nfs/dbraw/zinc/92/72/59/487927259.db2.gz JLWGKGIWRAUKSQ-UHFFFAOYSA-N 1 0 200.311 0.886 10 0 BCAERO Cc1nccc(C(=O)N[C@H]2CCC[C@@H]2C[NH3+])n1 ZINC000157884969 487927780 /nfs/dbraw/zinc/92/77/80/487927780.db2.gz ZXXDGOMTJUVRJZ-ZJUUUORDSA-N 1 0 234.303 0.642 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N1CCC[C@@H](OC(C)C)C1 ZINC000404600384 487927961 /nfs/dbraw/zinc/92/79/61/487927961.db2.gz LNVMNPCHBXIDLL-GHMZBOCLSA-N 1 0 244.335 0.376 10 0 BCAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)NCCc1ncc[nH]1 ZINC000157933360 487930327 /nfs/dbraw/zinc/93/03/27/487930327.db2.gz TVAPQMIQMAWTTD-NXEZZACHSA-N 1 0 236.319 0.443 10 0 BCAERO C[C@@H](O)C1CC[NH+](C[C@H]2CNCCO2)CC1 ZINC000235303810 487940370 /nfs/dbraw/zinc/94/03/70/487940370.db2.gz RHSMZNAEMATHNN-ZYHUDNBSSA-N 1 0 228.336 0.068 10 0 BCAERO CCN1CCN(c2cccc(N)c2)C(=O)C1 ZINC000147025270 487941699 /nfs/dbraw/zinc/94/16/99/487941699.db2.gz STDSROAHQIRURX-UHFFFAOYSA-N 1 0 219.288 0.937 10 0 BCAERO Cc1nc(C)c(C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)o1 ZINC000235326303 487942679 /nfs/dbraw/zinc/94/26/79/487942679.db2.gz NGWNGQDKIXJSCC-HZGVNTEJSA-N 1 0 223.276 0.711 10 0 BCAERO CCC[C@H](C(=O)NC[C@H](O)C(C)C)[NH+](C)C ZINC000179718389 322820215 /nfs/dbraw/zinc/82/02/15/322820215.db2.gz QXVVLBQQGWFKKT-MNOVXSKESA-N 1 0 230.352 0.850 10 0 BCAERO CCCNC(=O)[C@@H](C)[NH2+][C@@H]1CCO[C@@H]1C ZINC000134383218 323023888 /nfs/dbraw/zinc/02/38/88/323023888.db2.gz BSAJRQFTLIVSQN-OPRDCNLKSA-N 1 0 214.309 0.668 10 0 BCAERO O=C([C@@H]1CC=CCC1)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000565148038 323032546 /nfs/dbraw/zinc/03/25/46/323032546.db2.gz AIWKJSVLFBFFLK-GRYCIOLGSA-N 1 0 236.315 0.542 10 0 BCAERO C[NH2+][C@H](C)C(=O)N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000565211706 323033618 /nfs/dbraw/zinc/03/36/18/323033618.db2.gz CXSLKNFSVKUAPX-DBIOUOCHSA-N 1 0 238.331 0.668 10 0 BCAERO CN([C@H]1CCC[NH2+]CC1)S(=O)(=O)C1(C)CC1 ZINC000565247137 323049887 /nfs/dbraw/zinc/04/98/87/323049887.db2.gz WGNVOLOTXFNPHU-JTQLQIEISA-N 1 0 246.376 0.943 10 0 BCAERO O=C(NCCCc1ccccn1)[C@@H]1CC[NH2+]C1 ZINC000571162658 323137066 /nfs/dbraw/zinc/13/70/66/323137066.db2.gz JZAGAOBDQITYDH-LLVKDONJSA-N 1 0 233.315 0.740 10 0 BCAERO CCC[C@H](C(=O)N1CC[C@@H](O)[C@@H](C)C1)[NH+](C)C ZINC000249499818 323139225 /nfs/dbraw/zinc/13/92/25/323139225.db2.gz IEEKTHKDGJDNQN-QJPTWQEYSA-N 1 0 242.363 0.946 10 0 BCAERO O[C@@H]1CC[C@@H]2C[N@@H+]([C@@H]3CCOC3)C[C@@H]2C1 ZINC000398862930 323194133 /nfs/dbraw/zinc/19/41/33/323194133.db2.gz RNPUSFPDGYPASG-WRWGMCAJSA-N 1 0 211.305 0.868 10 0 BCAERO C[NH2+]CCCn1c(C=O)cnc1Cl ZINC000521401930 323201147 /nfs/dbraw/zinc/20/11/47/323201147.db2.gz RTXUPDVHYRCYLU-UHFFFAOYSA-N 1 0 201.657 0.959 10 0 BCAERO Cn1nccc1[C@@H](O)[C@@H]1CCCC[N@@H+]1C ZINC000521402180 323201298 /nfs/dbraw/zinc/20/12/98/323201298.db2.gz WSBBBVVQCQVRIA-ONGXEEELSA-N 1 0 209.293 0.938 10 0 BCAERO CCC[C@H](C(=O)N1CCS(=O)CC1)[NH+](C)C ZINC000152479776 323342604 /nfs/dbraw/zinc/34/26/04/323342604.db2.gz BXJNHVLSPCCZGH-SNVBAGLBSA-N 1 0 246.376 0.308 10 0 BCAERO CC(C)[C@H](C(=O)N[C@@H]1CCCOC1)[C@@H](C)[NH3+] ZINC000399502925 323396032 /nfs/dbraw/zinc/39/60/32/323396032.db2.gz JFWPIHLISSYIGX-MXWKQRLJSA-N 1 0 228.336 0.901 10 0 BCAERO CCO[C@H](CC)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000158454134 487958366 /nfs/dbraw/zinc/95/83/66/487958366.db2.gz GCJUYBJOZQROCA-VHSXEESVSA-N 1 0 214.309 0.751 10 0 BCAERO CC(C)(C)[C@@H](O)C[NH2+]CCN1CCC(O)CC1 ZINC000321138263 323601222 /nfs/dbraw/zinc/60/12/22/323601222.db2.gz DIELFMMBXZSKAJ-LBPRGKRZSA-N 1 0 244.379 0.440 10 0 BCAERO NS(=O)(=O)CC12CCC[NH+](CCC1)C2 ZINC000536954898 323964269 /nfs/dbraw/zinc/96/42/69/323964269.db2.gz OSXGCYGCXGDRMF-UHFFFAOYSA-N 1 0 218.322 0.151 10 0 BCAERO CON(C)C(=O)c1ccc2c(n1)C[NH2+]CC2 ZINC000536959708 323971883 /nfs/dbraw/zinc/97/18/83/323971883.db2.gz SBFQTPSAVAWARA-UHFFFAOYSA-N 1 0 221.260 0.361 10 0 BCAERO COC[C@@H](O)C[N@@H+]1CCS[C@@H](C)C1 ZINC000123236592 324102702 /nfs/dbraw/zinc/10/27/02/324102702.db2.gz CUMNMAGZIZVEKA-IUCAKERBSA-N 1 0 205.323 0.431 10 0 BCAERO CC(C)n1nnnc1CN(C)[C@@H](C[NH3+])C1CC1 ZINC000520813142 324109986 /nfs/dbraw/zinc/10/99/86/324109986.db2.gz RVFNZUYWXQULSB-JTQLQIEISA-N 1 0 238.339 0.423 10 0 BCAERO O=C(Nc1ccc2c[nH]nc2c1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000037040786 324223670 /nfs/dbraw/zinc/22/36/70/324223670.db2.gz FQCWZJCCLYKBKQ-MWLCHTKSSA-N 1 0 246.270 0.224 10 0 BCAERO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)c3nc[nH]n3)C[C@H]21 ZINC000130685462 325080171 /nfs/dbraw/zinc/08/01/71/325080171.db2.gz KNEFRWSUELXOCN-DJLDLDEBSA-N 1 0 235.291 0.004 10 0 BCAERO Cn1cnc(-c2nc(C3([NH3+])CCC3)no2)c1 ZINC000564328871 325387529 /nfs/dbraw/zinc/38/75/29/325387529.db2.gz WLXMHUOWMPRQNU-UHFFFAOYSA-N 1 0 219.248 0.808 10 0 BCAERO C[C@H](Cn1cccn1)NC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000235478806 487969572 /nfs/dbraw/zinc/96/95/72/487969572.db2.gz UNSKZEAAHTZPDC-GMTAPVOTSA-N 1 0 236.319 0.243 10 0 BCAERO CC(C)OC[C@H](O)C[NH+]1[C@H](C)COC[C@H]1C ZINC000252464391 325688162 /nfs/dbraw/zinc/68/81/62/325688162.db2.gz JTWPCXIZRUDKPD-IJLUTSLNSA-N 1 0 231.336 0.882 10 0 BCAERO COC(=O)[C@H](C)CNC(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000262622431 325906072 /nfs/dbraw/zinc/90/60/72/325906072.db2.gz QCIIKDIBHKLIAR-BBBLOLIVSA-N 1 0 242.319 0.429 10 0 BCAERO COC[C@H]([NH3+])C(=O)N1CCC(OC(C)C)CC1 ZINC000566190351 326009478 /nfs/dbraw/zinc/00/94/78/326009478.db2.gz SVHUSACUUSFCQV-NSHDSACASA-N 1 0 244.335 0.376 10 0 BCAERO c1cncc(CN2CCO[C@@H]3C[NH2+]C[C@@H]32)c1 ZINC000566300494 326030751 /nfs/dbraw/zinc/03/07/51/326030751.db2.gz MHWZVZIKZBNNDY-NWDGAFQWSA-N 1 0 219.288 0.254 10 0 BCAERO O=C(NCc1ncccn1)[C@H]1CCC[NH2+]C1 ZINC000566507379 326060222 /nfs/dbraw/zinc/06/02/22/326060222.db2.gz ZENZERDHOQCZFI-VIFPVBQESA-N 1 0 220.276 0.092 10 0 BCAERO C[C@H]1C[C@H]1CNC(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000156873154 326246474 /nfs/dbraw/zinc/24/64/74/326246474.db2.gz DOPLRIATCNRPIQ-QWRGUYRKSA-N 1 0 239.363 0.442 10 0 BCAERO CC[N@@H+]1CCC[C@H]1CN(C)[C@@H](C)C(=O)N(C)C ZINC000157132341 326258330 /nfs/dbraw/zinc/25/83/30/326258330.db2.gz XZDZXCQFUHVIPI-RYUDHWBXSA-N 1 0 241.379 0.879 10 0 BCAERO CN(CCc1nccs1)C(=O)[C@@H]1CC[NH2+]C1 ZINC000567819048 326262723 /nfs/dbraw/zinc/26/27/23/326262723.db2.gz LJTOERZPSPYIHY-SECBINFHSA-N 1 0 239.344 0.754 10 0 BCAERO CCC[C@H](O)CNC(=O)[C@@]1(C)CCC[NH2+]1 ZINC000158790263 326343626 /nfs/dbraw/zinc/34/36/26/326343626.db2.gz HXSLEAVEVCDGMI-GXSJLCMTSA-N 1 0 214.309 0.406 10 0 BCAERO OC[C@H]1C[N@H+](Cc2cccc3c2NCC3)C[C@@H]1O ZINC000316306188 326349304 /nfs/dbraw/zinc/34/93/04/326349304.db2.gz KHMRHKXVGKEBHM-OLZOCXBDSA-N 1 0 248.326 0.440 10 0 BCAERO CCn1ccnc(N[C@H](C)C[C@@H](C)[NH3+])c1=O ZINC000165730570 326426070 /nfs/dbraw/zinc/42/60/70/326426070.db2.gz OPXWARJHKCZMMX-RKDXNWHRSA-N 1 0 224.308 0.801 10 0 BCAERO C[C@H]1OCC[C@H]1NC(=O)CC1([NH3+])CCC1 ZINC000134254578 487975685 /nfs/dbraw/zinc/97/56/85/487975685.db2.gz GRBMQMBHCRVXNT-RKDXNWHRSA-N 1 0 212.293 0.552 10 0 BCAERO CCn1ncnc1C[NH2+]CC[C@@H]1CCCO1 ZINC000083977776 487978088 /nfs/dbraw/zinc/97/80/88/487978088.db2.gz OPSGGOFAYCMXKP-JTQLQIEISA-N 1 0 224.308 0.957 10 0 BCAERO CN(CCC[NH3+])c1ncnc2c1CCC2 ZINC000061276229 487980350 /nfs/dbraw/zinc/98/03/50/487980350.db2.gz ZZMYFVSWMQQVCB-UHFFFAOYSA-N 1 0 206.293 0.750 10 0 BCAERO COc1c(N)ncnc1N[C@H]1CCO[C@H]1C ZINC000134607576 487991505 /nfs/dbraw/zinc/99/15/05/487991505.db2.gz STGUWWNTUSRIKX-BQBZGAKWSA-N 1 0 224.264 0.657 10 0 BCAERO Cc1nnsc1C(=O)N1C[C@H]([NH3+])[C@@H](C)C1 ZINC000235636398 487992940 /nfs/dbraw/zinc/99/29/40/487992940.db2.gz APWPVGOVMFMYPH-FSPLSTOPSA-N 1 0 226.305 0.266 10 0 BCAERO [NH3+]Cc1cn(Cc2ccc3c(c2)OCCO3)nn1 ZINC000084075338 487994694 /nfs/dbraw/zinc/99/46/94/487994694.db2.gz WZYWHHWKHVCOHM-UHFFFAOYSA-N 1 0 246.270 0.556 10 0 BCAERO CN1C[C@@H](C[NH2+]C2CSC2)CC1=O ZINC000668616131 488009475 /nfs/dbraw/zinc/00/94/75/488009475.db2.gz GSRDYTFICZETDO-SSDOTTSWSA-N 1 0 200.307 0.170 10 0 BCAERO COC[C@@H](C)C[NH2+]C[C@@H]1CC(=O)N(C)C1 ZINC000668616464 488010218 /nfs/dbraw/zinc/01/02/18/488010218.db2.gz NFEGABVLWIFXPR-UWVGGRQHSA-N 1 0 214.309 0.337 10 0 BCAERO C[C@@H]1CSC[C@@H]1[NH2+]C[C@H]1CC(=O)N(C)C1 ZINC000668616679 488010409 /nfs/dbraw/zinc/01/04/09/488010409.db2.gz PAVSBXOGHTWFRB-BBBLOLIVSA-N 1 0 228.361 0.806 10 0 BCAERO Cc1cc(NC[C@H]2COCC[NH2+]2)nc(C)n1 ZINC000235827336 488023353 /nfs/dbraw/zinc/02/33/53/488023353.db2.gz XSKAGHSNJRPVOY-JTQLQIEISA-N 1 0 222.292 0.494 10 0 BCAERO CC(C)n1ccnc1C[NH2+][C@H]1CCOC[C@H]1O ZINC000623767588 488030366 /nfs/dbraw/zinc/03/03/66/488030366.db2.gz YGGFXTQPHQLABD-WDEREUQCSA-N 1 0 239.319 0.703 10 0 BCAERO C[C@@H](O)CCC[N@H+](C)C[C@H]1CN(C)CCO1 ZINC000682759777 488031323 /nfs/dbraw/zinc/03/13/23/488031323.db2.gz WSECJKWANZAKHY-NEPJUHHUSA-N 1 0 230.352 0.410 10 0 BCAERO Cc1noc(CN(C)C(=O)[C@H]2CCC[NH2+]C2)n1 ZINC000655527519 488036537 /nfs/dbraw/zinc/03/65/37/488036537.db2.gz VKJVETNXYYZEDH-VIFPVBQESA-N 1 0 238.291 0.336 10 0 BCAERO C[C@@H]1CN(Cc2cn[nH]c2)C[C@@H]1[NH+](C)C ZINC000685458811 488036953 /nfs/dbraw/zinc/03/69/53/488036953.db2.gz DAQQGLULYLJDCR-KOLCDFICSA-N 1 0 208.309 0.792 10 0 BCAERO CC(C)[NH2+]CCC(=O)NC[C@@H]1CCC[C@H]1O ZINC000084238755 488039471 /nfs/dbraw/zinc/03/94/71/488039471.db2.gz VESUGTGRNYUFML-WDEREUQCSA-N 1 0 228.336 0.652 10 0 BCAERO C[C@]1(C(=O)NC[C@H]2CCC[C@@H]2O)CCC[NH2+]1 ZINC000084238439 488039512 /nfs/dbraw/zinc/03/95/12/488039512.db2.gz QGAOLHJNBWHZHD-JFGNBEQYSA-N 1 0 226.320 0.406 10 0 BCAERO COC[C@H]1C[N@@H+]([C@@H]2CCC[C@H]2O)CCO1 ZINC000659952933 488042099 /nfs/dbraw/zinc/04/20/99/488042099.db2.gz RMVRRVWLMOYDCJ-GMTAPVOTSA-N 1 0 215.293 0.247 10 0 BCAERO COC[C@@H](C)NC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000084308791 488043132 /nfs/dbraw/zinc/04/31/32/488043132.db2.gz GBDQFAKELJHITM-BBBLOLIVSA-N 1 0 214.309 0.513 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)Nc1cn[nH]c1 ZINC000084309518 488043613 /nfs/dbraw/zinc/04/36/13/488043613.db2.gz LUWRWHWMNUTPPO-CBAPKCEASA-N 1 0 208.265 0.723 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)NCc1ncc[nH]1 ZINC000084311250 488044667 /nfs/dbraw/zinc/04/46/67/488044667.db2.gz VHZXENLFCLGPAK-DTWKUNHWSA-N 1 0 222.292 0.401 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)Nc1cc[nH]n1 ZINC000084310304 488044759 /nfs/dbraw/zinc/04/47/59/488044759.db2.gz KXUIQRFFBBUQFI-YUMQZZPRSA-N 1 0 208.265 0.723 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)N1CCCOCC1 ZINC000084310787 488045162 /nfs/dbraw/zinc/04/51/62/488045162.db2.gz ARZSGXKLSGGWOH-WDEREUQCSA-N 1 0 226.320 0.610 10 0 BCAERO [NH3+]C[C@H]1CCC[C@@H]1C(=O)N1CCCOCC1 ZINC000084310791 488044800 /nfs/dbraw/zinc/04/48/00/488044800.db2.gz ARZSGXKLSGGWOH-MNOVXSKESA-N 1 0 226.320 0.610 10 0 BCAERO O=C(C[C@H]1CC[NH2+]C1)NCC[C@@H]1CCCO1 ZINC000084382491 488048184 /nfs/dbraw/zinc/04/81/84/488048184.db2.gz FFSLNVAJGZJIGK-MNOVXSKESA-N 1 0 226.320 0.671 10 0 BCAERO [NH3+]C[C@H]1CCC[C@@H]1C(=O)NCCCCO ZINC000236188812 488049912 /nfs/dbraw/zinc/04/99/12/488049912.db2.gz AXWOXDRVRTVTQR-ZJUUUORDSA-N 1 0 214.309 0.250 10 0 BCAERO C[NH2+][C@H](C)CNC(=O)c1snnc1C ZINC000388802870 488056592 /nfs/dbraw/zinc/05/65/92/488056592.db2.gz NTNZEXLVBPUJSC-RXMQYKEDSA-N 1 0 214.294 0.184 10 0 BCAERO CC1(CO)CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000401723184 488056887 /nfs/dbraw/zinc/05/68/87/488056887.db2.gz CCMODGAMMDISSW-GHMZBOCLSA-N 1 0 213.321 0.994 10 0 BCAERO CN1CCO[C@H](C[NH2+][C@@H]2CCOC(C)(C)C2)C1 ZINC000091666996 488057533 /nfs/dbraw/zinc/05/75/33/488057533.db2.gz FSUKAIHVAVPAIG-VXGBXAGGSA-N 1 0 242.363 0.864 10 0 BCAERO CCc1cc(NC(=O)C2([NH3+])CCOCC2)n[nH]1 ZINC000135896679 488059494 /nfs/dbraw/zinc/05/94/94/488059494.db2.gz JOADLDPMLHMDOF-UHFFFAOYSA-N 1 0 238.291 0.419 10 0 BCAERO CC(C)[C@@H]([NH3+])CC(=O)NCCn1ccnc1 ZINC000128997619 488062743 /nfs/dbraw/zinc/06/27/43/488062743.db2.gz WUYWBFMJXFHQNF-JTQLQIEISA-N 1 0 224.308 0.373 10 0 BCAERO C[C@]1(C(=O)NCC2(CO)CC2)CCCC[NH2+]1 ZINC000159579759 488066433 /nfs/dbraw/zinc/06/64/33/488066433.db2.gz HCLVOFUQFBVEEM-LLVKDONJSA-N 1 0 226.320 0.407 10 0 BCAERO CO[C@@]1(CO)CCC[N@@H+]([C@@H]2CCOC2)C1 ZINC000401788458 488066649 /nfs/dbraw/zinc/06/66/49/488066649.db2.gz VEOSWORJLKUZER-MNOVXSKESA-N 1 0 215.293 0.249 10 0 BCAERO COC[C@H]([NH3+])C(=O)NC[C@H]1Cc2ccccc21 ZINC000159696724 488074967 /nfs/dbraw/zinc/07/49/67/488074967.db2.gz RVOKPGZNGCSEDT-PWSUYJOCSA-N 1 0 234.299 0.416 10 0 BCAERO CO[C@@](C)(C[NH2+]C[C@@H]1CN(C)CCO1)C1CC1 ZINC000310201290 488075181 /nfs/dbraw/zinc/07/51/81/488075181.db2.gz BXGYCCHLZUCXDN-OLZOCXBDSA-N 1 0 242.363 0.722 10 0 BCAERO CC[C@H]1CN(C(=O)[C@H]2CCCO2)CC[C@@H]1[NH3+] ZINC000166394747 488079130 /nfs/dbraw/zinc/07/91/30/488079130.db2.gz DGONGOZEGYHGEI-GARJFASQSA-N 1 0 226.320 0.751 10 0 BCAERO Cc1nc(CNC(=O)C[C@H]([NH3+])C(C)C)no1 ZINC000225811540 488080344 /nfs/dbraw/zinc/08/03/44/488080344.db2.gz WGNWQAOSLZNCMD-QMMMGPOBSA-N 1 0 226.280 0.368 10 0 BCAERO CCOC[C@H](O)CN1CC[C@@H]([NH+](C)C)C1 ZINC000225858957 488081316 /nfs/dbraw/zinc/08/13/16/488081316.db2.gz VNZOITPNKOWCSY-GHMZBOCLSA-N 1 0 216.325 0.020 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N1CCC[C@@H]1COC ZINC000236803400 488089189 /nfs/dbraw/zinc/08/91/89/488089189.db2.gz BMFRBEVKHIDWPQ-ZJUUUORDSA-N 1 0 214.309 0.751 10 0 BCAERO C[NH2+][C@H](C)CNc1ccc(C(=O)N(C)C)nn1 ZINC000310217681 488094760 /nfs/dbraw/zinc/09/47/60/488094760.db2.gz JOVZHYJJXRBXLG-MRVPVSSYSA-N 1 0 237.307 0.198 10 0 BCAERO O=C(C[C@H]1CC[NH2+]C1)NC[C@@H]1CCCC[C@@H]1O ZINC000227639946 488095555 /nfs/dbraw/zinc/09/55/55/488095555.db2.gz AQPCBMHMVINJOX-WOPDTQHZSA-N 1 0 240.347 0.653 10 0 BCAERO CC(C)[C@@H]([NH3+])CC(=O)N1CCN(C2CC2)CC1 ZINC000136409021 488101535 /nfs/dbraw/zinc/10/15/35/488101535.db2.gz ZLFYQCZZVJNOTH-LBPRGKRZSA-N 1 0 239.363 0.666 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000136392296 488101569 /nfs/dbraw/zinc/10/15/69/488101569.db2.gz BAYOOJPYOUYMFH-VXGBXAGGSA-N 1 0 239.363 0.666 10 0 BCAERO CC(C)[C@@H]([NH3+])CC(=O)N(C)Cc1nccn1C ZINC000148573721 488104126 /nfs/dbraw/zinc/10/41/26/488104126.db2.gz INZOFGOSKRXQQT-JTQLQIEISA-N 1 0 238.335 0.752 10 0 BCAERO CCOC[C@@H](O)C[NH2+]CC[C@@H]1CCCO1 ZINC000068951543 488116079 /nfs/dbraw/zinc/11/60/79/488116079.db2.gz BMRAQNCHNJFLSW-QWRGUYRKSA-N 1 0 217.309 0.543 10 0 BCAERO CCC[C@@H]1C[C@H]1NC(=O)c1cn(CC[NH3+])nn1 ZINC000233305000 488126354 /nfs/dbraw/zinc/12/63/54/488126354.db2.gz QIXZYUYVPNVVQZ-RKDXNWHRSA-N 1 0 237.307 0.155 10 0 BCAERO O=C(NC[C@H]1CC[NH2+]C1)NC[C@@H]1CCCO1 ZINC000258678242 488126763 /nfs/dbraw/zinc/12/67/63/488126763.db2.gz TUHCNKCUGZGPRG-UWVGGRQHSA-N 1 0 227.308 0.074 10 0 BCAERO [NH3+]Cc1ccc(C(=O)N[C@H]2CCC[C@H](O)C2)o1 ZINC000094565656 487540328 /nfs/dbraw/zinc/54/03/28/487540328.db2.gz UJCAAKSGZYHEEH-IUCAKERBSA-N 1 0 238.287 0.772 10 0 BCAERO [NH3+]Cc1ccc(C(=O)N[C@H]2CCC[C@@H](O)C2)o1 ZINC000094565658 487540726 /nfs/dbraw/zinc/54/07/26/487540726.db2.gz UJCAAKSGZYHEEH-DTWKUNHWSA-N 1 0 238.287 0.772 10 0 BCAERO CCn1ccc(NC(=O)[C@@H]2C[NH2+]C[C@H]2C)n1 ZINC000300874594 487542250 /nfs/dbraw/zinc/54/22/50/487542250.db2.gz LOELXBIGGHRVOW-RKDXNWHRSA-N 1 0 222.292 0.697 10 0 BCAERO [NH3+]Cc1ccc(C(=O)NC[C@@H]2CCC[C@@H]2O)o1 ZINC000094572911 487544323 /nfs/dbraw/zinc/54/43/23/487544323.db2.gz PKXVRTFCRPNESL-WPRPVWTQSA-N 1 0 238.287 0.629 10 0 BCAERO CC[C@](C)(O)C[NH+]1CCC(NC(C)=O)CC1 ZINC000119429413 487547173 /nfs/dbraw/zinc/54/71/73/487547173.db2.gz ZQHKBKVPENQAMS-LBPRGKRZSA-N 1 0 228.336 0.748 10 0 BCAERO [NH3+]C[C@H]1CCCN1C(=O)c1ccc[nH]c1=O ZINC000168859526 487547770 /nfs/dbraw/zinc/54/77/70/487547770.db2.gz TZTKSCHNSQSMGT-MRVPVSSYSA-N 1 0 221.260 0.351 10 0 BCAERO COCCOCCNC(=O)[C@H]1CCC[NH2+][C@H]1C ZINC000094647911 487548246 /nfs/dbraw/zinc/54/82/46/487548246.db2.gz JKJUGFSZWDCPKT-QWRGUYRKSA-N 1 0 244.335 0.154 10 0 BCAERO CCn1ccc(NC(=O)[C@@H]2CC[NH2+]C2)n1 ZINC000300917887 487550121 /nfs/dbraw/zinc/55/01/21/487550121.db2.gz SZSKBFWRMMRUGN-MRVPVSSYSA-N 1 0 208.265 0.451 10 0 BCAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]C[C@H]1CCC[C@@H](O)C1 ZINC000392874844 487556236 /nfs/dbraw/zinc/55/62/36/487556236.db2.gz GELXNOADONJYKA-YFKTTZPYSA-N 1 0 240.347 0.794 10 0 BCAERO Cc1cnc(C)c(NC[C@H]2COCC[NH2+]2)n1 ZINC000235929019 488141095 /nfs/dbraw/zinc/14/10/95/488141095.db2.gz SIIFZMROJODGFL-JTQLQIEISA-N 1 0 222.292 0.494 10 0 BCAERO C[C@H](O)CCNC(=O)[C@H]1[NH2+]CCc2ccccc21 ZINC000085990109 487471072 /nfs/dbraw/zinc/47/10/72/487471072.db2.gz BKUUUDBACQFXBO-GWCFXTLKSA-N 1 0 248.326 0.761 10 0 BCAERO O=C1C[C@H]([NH2+]C[C@@H]2CCCC[C@@H]2O)CCCN1 ZINC000085988131 487471102 /nfs/dbraw/zinc/47/11/02/487471102.db2.gz ILXCZRCISMMICY-TUAOUCFPSA-N 1 0 240.347 0.796 10 0 BCAERO O=C(CC[NH2+]C1CC1)NC[C@@H]1CCCC[C@H]1O ZINC000085988214 487471110 /nfs/dbraw/zinc/47/11/10/487471110.db2.gz OSHWBDAGJQUBCM-CMPLNLGQSA-N 1 0 240.347 0.796 10 0 BCAERO C[C@@H](O)CC[NH2+]C[C@@H](O)COc1ccccc1 ZINC000086014022 487472328 /nfs/dbraw/zinc/47/23/28/487472328.db2.gz WEULGQLUULXZTO-VXGBXAGGSA-N 1 0 239.315 0.787 10 0 BCAERO O[C@@H]1CCC[C@H]1[N@@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000303442776 488141301 /nfs/dbraw/zinc/14/13/01/488141301.db2.gz NMIVUGIHNACHFZ-IWSPIJDZSA-N 1 0 239.237 0.899 10 0 BCAERO Cc1cnc([C@H](C)NC(=O)C[C@H](C)[NH3+])o1 ZINC000231744120 487474167 /nfs/dbraw/zinc/47/41/67/487474167.db2.gz XRSQNRCEQQDLSX-XPUUQOCRSA-N 1 0 211.265 0.898 10 0 BCAERO COC[C@H](C)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000158020855 487476390 /nfs/dbraw/zinc/47/63/90/487476390.db2.gz WBZXUWIIWYCKEJ-IUCAKERBSA-N 1 0 200.282 0.219 10 0 BCAERO C[C@@H](NC(=O)C[C@H]1CC[NH2+]C1)[C@@H]1CCCO1 ZINC000227713693 487480559 /nfs/dbraw/zinc/48/05/59/487480559.db2.gz CXVTZWMBWAAXEV-MXWKQRLJSA-N 1 0 226.320 0.670 10 0 BCAERO CC(C)[C@@H](CO)NC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000086125747 487484850 /nfs/dbraw/zinc/48/48/50/487484850.db2.gz YJXLUYGFNCDPJM-HBNTYKKESA-N 1 0 228.336 0.495 10 0 BCAERO CC(C)[C@@H](CO)NC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000086125821 487486324 /nfs/dbraw/zinc/48/63/24/487486324.db2.gz XOWGFKAVFTYLBE-OPRDCNLKSA-N 1 0 214.309 0.247 10 0 BCAERO CC(C)(CC(N)=O)NC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000227066497 487494062 /nfs/dbraw/zinc/49/40/62/487494062.db2.gz CPNDOTFCMSUXIF-RKDXNWHRSA-N 1 0 241.335 0.132 10 0 BCAERO COC[C@H](C)NC[C@H](O)C[N@H+](C)C(C)C ZINC000308791183 487494306 /nfs/dbraw/zinc/49/43/06/487494306.db2.gz BBRGUJAIRFWXAD-QWRGUYRKSA-N 1 0 218.341 0.312 10 0 BCAERO O=C(C[C@H]1CC[NH2+]C1)N[C@H]1CCC[C@@H](O)C1 ZINC000227724547 487494945 /nfs/dbraw/zinc/49/49/45/487494945.db2.gz KMXAELGVYNJVJA-OUAUKWLOSA-N 1 0 226.320 0.406 10 0 BCAERO C[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H]1CCC[C@@H]1O ZINC000086272346 487496217 /nfs/dbraw/zinc/49/62/17/487496217.db2.gz ZUYXYJSTMAYZCV-NAKRPEOUSA-N 1 0 226.320 0.262 10 0 BCAERO COC[C@@H]([NH3+])C(=O)Nc1ccnc(OC)c1 ZINC000304655634 487513683 /nfs/dbraw/zinc/51/36/83/487513683.db2.gz ZBVUBZDFXCFBOO-MRVPVSSYSA-N 1 0 225.248 0.002 10 0 BCAERO O=C(CC[C@@H]1CC[NH2+]C1)N[C@H]1CCC[C@H](O)C1 ZINC000134487099 487508691 /nfs/dbraw/zinc/50/86/91/487508691.db2.gz FCQRPYHGJQQSKV-WOPDTQHZSA-N 1 0 240.347 0.796 10 0 BCAERO CC(C)[C@@H](NC(=O)[C@H]1COCCN1)C1CC1 ZINC000324097359 487521659 /nfs/dbraw/zinc/52/16/59/487521659.db2.gz IJDKIMJPXYGSEC-GHMZBOCLSA-N 1 0 226.320 0.526 10 0 BCAERO CC(C)(O)C[NH2+]CC1CCC(O)CC1 ZINC000227765120 487522581 /nfs/dbraw/zinc/52/25/81/487522581.db2.gz CUSPBVSSEYXESP-UHFFFAOYSA-N 1 0 201.310 0.898 10 0 BCAERO OCC1CC([NH2+][C@@H]2CO[C@@H](C3CC3)C2)C1 ZINC000668779588 487525088 /nfs/dbraw/zinc/52/50/88/487525088.db2.gz FDKVXFPKEGSJST-YRVPGANGSA-N 1 0 211.305 0.914 10 0 BCAERO CN1CCC[C@H]1C[N@@H+]1CCC[C@@H](CO)C1 ZINC000379809275 488152048 /nfs/dbraw/zinc/15/20/48/488152048.db2.gz YYEIJQPLQNHPRL-NEPJUHHUSA-N 1 0 212.337 0.785 10 0 BCAERO COCC1(NC(=O)[C@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000648090859 487611880 /nfs/dbraw/zinc/61/18/80/487611880.db2.gz WCIGKTCTYHSAEH-ZJUUUORDSA-N 1 0 226.320 0.657 10 0 BCAERO CC(C)[C@@H]([NH3+])CC(=O)NC[C@H](C)C[C@H](C)O ZINC000398634621 487723152 /nfs/dbraw/zinc/72/31/52/487723152.db2.gz OVVLBQNJMVHOBY-VWYCJHECSA-N 1 0 230.352 0.883 10 0 BCAERO C[C@H]1SCC[C@H]1NC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000378900177 488109879 /nfs/dbraw/zinc/10/98/79/488109879.db2.gz GQNPYMFSNULPOV-ZYUZMQFOSA-N 1 0 228.361 0.852 10 0 BCAERO OC1(C[NH2+][C@@H]2CO[C@@H](C3CC3)C2)CCOCC1 ZINC000667847308 488137192 /nfs/dbraw/zinc/13/71/92/488137192.db2.gz KLWZLELNLHUBJA-NWDGAFQWSA-N 1 0 241.331 0.685 10 0 BCAERO COCC[N@H+](CCO)C[C@@H]1CCC[C@@H](O)C1 ZINC000390318217 488147711 /nfs/dbraw/zinc/14/77/11/488147711.db2.gz HSWXJBNASQIDDE-VXGBXAGGSA-N 1 0 231.336 0.478 10 0 BCAERO CCNC(=O)C[NH2+][C@@H]1CO[C@@H](C2CC2)C1 ZINC000667927136 488161204 /nfs/dbraw/zinc/16/12/04/488161204.db2.gz MKOUUWCBPGHNHS-VHSXEESVSA-N 1 0 212.293 0.280 10 0 BCAERO CCn1cc(CNC(=O)[C@@]2(C)CCC[NH2+]2)nn1 ZINC000404466343 488164537 /nfs/dbraw/zinc/16/45/37/488164537.db2.gz SQXGCKAUJLXVGJ-LLVKDONJSA-N 1 0 237.307 0.056 10 0 BCAERO Cn1nccc1CCn1cc(C(C)(C)[NH3+])nn1 ZINC000230887712 488169687 /nfs/dbraw/zinc/16/96/87/488169687.db2.gz IYQVYPSNGRVJLY-UHFFFAOYSA-N 1 0 234.307 0.448 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)N2CC[C@@H]([NH3+])[C@@H]2C)O1 ZINC000380063570 488170757 /nfs/dbraw/zinc/17/07/57/488170757.db2.gz HKABOFPUTZCHFQ-UTINFBMNSA-N 1 0 212.293 0.502 10 0 BCAERO C[C@H](NC(=O)C[C@H]1CC[NH2+]C1)[C@H]1CCCO1 ZINC000246831759 488172277 /nfs/dbraw/zinc/17/22/77/488172277.db2.gz CXVTZWMBWAAXEV-HBNTYKKESA-N 1 0 226.320 0.670 10 0 BCAERO O=C([C@H]1CC[NH2+]C1)N1CCCc2n[nH]cc2C1 ZINC000404734665 488176283 /nfs/dbraw/zinc/17/62/83/488176283.db2.gz SQVNJVXIZIKPTR-VIFPVBQESA-N 1 0 234.303 0.294 10 0 BCAERO NC(=O)CC[NH2+][C@H]1CCCC[C@H]1CO ZINC000231311415 488196352 /nfs/dbraw/zinc/19/63/52/488196352.db2.gz JUASKPPSBAAGCC-IUCAKERBSA-N 1 0 200.282 0.003 10 0 BCAERO C[N@H+](CCCO)C[C@H]1CCC[C@H](O)C1 ZINC000308564778 488207524 /nfs/dbraw/zinc/20/75/24/488207524.db2.gz HDGWJCAJEFZVFH-QWRGUYRKSA-N 1 0 201.310 0.852 10 0 BCAERO [NH3+]C1(CC(=O)N[C@@H]2CCC[C@H](O)C2)CC1 ZINC000398079359 488207981 /nfs/dbraw/zinc/20/79/81/488207981.db2.gz CUMSQCXFSRUBGM-BDAKNGLRSA-N 1 0 212.293 0.288 10 0 BCAERO C[C@@H](NC(=O)CC1([NH3+])CC1)[C@H]1CCCO1 ZINC000398164900 488213512 /nfs/dbraw/zinc/21/35/12/488213512.db2.gz JDZWPIFEJCLIEB-RKDXNWHRSA-N 1 0 212.293 0.552 10 0 BCAERO CCOC1CCN(C(=O)[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000111270850 488340053 /nfs/dbraw/zinc/34/00/53/488340053.db2.gz BCOMWTXJDYTSMA-ZYHUDNBSSA-N 1 0 240.347 0.869 10 0 BCAERO Cc1nnc2n1C[C@H]([NH2+][C@H]1CCSC1)CC2 ZINC000309869155 490089703 /nfs/dbraw/zinc/08/97/03/490089703.db2.gz PTZPJMIGDRKTGM-ZJUUUORDSA-N 1 0 238.360 0.996 10 0 BCAERO Cc1noc2ncnc(NCCC[NH3+])c12 ZINC000070824636 490156027 /nfs/dbraw/zinc/15/60/27/490156027.db2.gz OSXUKPUSIHIVPG-UHFFFAOYSA-N 1 0 207.237 0.687 10 0 BCAERO CO[C@@H]1CCN(C(=O)[C@@]2(C)CCCC[NH2+]2)C1 ZINC000234815101 490163462 /nfs/dbraw/zinc/16/34/62/490163462.db2.gz LSRDFACCXNCJGI-ZYHUDNBSSA-N 1 0 226.320 0.766 10 0 BCAERO COc1cc(C)nc(NCCOCCC[NH3+])n1 ZINC000630537439 490181166 /nfs/dbraw/zinc/18/11/66/490181166.db2.gz OFVOYJXYQYUVNO-UHFFFAOYSA-N 1 0 240.307 0.571 10 0 BCAERO Fc1cccnc1NC[C@H]1COCC[NH2+]1 ZINC000236203348 490192585 /nfs/dbraw/zinc/19/25/85/490192585.db2.gz HHIUTYHLMSMQGY-QMMMGPOBSA-N 1 0 211.240 0.621 10 0 BCAERO Fc1cnc(NC[C@H]2COCC[NH2+]2)nc1 ZINC000236214513 490192778 /nfs/dbraw/zinc/19/27/78/490192778.db2.gz AYZXGIBHASWCAA-QMMMGPOBSA-N 1 0 212.228 0.016 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@@H]1CCCOC1 ZINC000082560190 490291036 /nfs/dbraw/zinc/29/10/36/490291036.db2.gz KVPCFXFPPVEIRB-OPRDCNLKSA-N 1 0 212.293 0.137 10 0 BCAERO C[C@H](O)CCNC(=O)c1cccc2c1CC[NH2+]C2 ZINC000124320144 490349438 /nfs/dbraw/zinc/34/94/38/490349438.db2.gz FQQFNBHZWXTIPV-JTQLQIEISA-N 1 0 248.326 0.833 10 0 BCAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)NCCOCC1CC1 ZINC000227424941 491080475 /nfs/dbraw/zinc/08/04/75/491080475.db2.gz OOWCXJMLNJQAPR-VXGBXAGGSA-N 1 0 240.347 0.904 10 0 BCAERO O=C(C[C@H]1CCC[NH2+]C1)N1C[C@H]2CC[C@@H](C1)O2 ZINC000090907857 491069465 /nfs/dbraw/zinc/06/94/65/491069465.db2.gz LFHSBGUXGQOGJT-UTUOFQBUSA-N 1 0 238.331 0.766 10 0 BCAERO CCC[C@H](NC(=O)CC[C@H]1CCC[NH2+]1)C(N)=O ZINC000383905300 491089883 /nfs/dbraw/zinc/08/98/83/491089883.db2.gz XFXJYZBVGTYRNW-ZJUUUORDSA-N 1 0 241.335 0.289 10 0 BCAERO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)C[C@@H]12 ZINC000385673941 491090976 /nfs/dbraw/zinc/09/09/76/491090976.db2.gz QAWSYNWDXZNAPP-MOCCIAMBSA-N 1 0 236.315 0.075 10 0 BCAERO COC(=O)c1ccc(C[NH3+])c(Cl)n1 ZINC000222947986 491094732 /nfs/dbraw/zinc/09/47/32/491094732.db2.gz LMANTDKSWZSXJB-UHFFFAOYSA-N 1 0 200.625 0.980 10 0 BCAERO CC(C)(C)[C@@H](O)CNC(=O)C[C@@H]1CC[NH2+]C1 ZINC000324492842 491105309 /nfs/dbraw/zinc/10/53/09/491105309.db2.gz JHEQXMZQNKLYNA-UWVGGRQHSA-N 1 0 228.336 0.509 10 0 BCAERO CCOc1cc(N(C)CCC[NH3+])nc(C)n1 ZINC000085484088 491123252 /nfs/dbraw/zinc/12/32/52/491123252.db2.gz XIDGMENTKXAGLJ-UHFFFAOYSA-N 1 0 224.308 0.969 10 0 BCAERO C[C@H]1NC(=O)CC[C@@H]1[NH2+]Cc1cn[nH]c1 ZINC000309110996 491144914 /nfs/dbraw/zinc/14/49/14/491144914.db2.gz JRGVITLBTDWMKL-APPZFPTMSA-N 1 0 208.265 0.166 10 0 BCAERO CCC[NH+]1CCN(C(=O)c2ccc[nH]c2=O)CC1 ZINC000229011953 519857077 /nfs/dbraw/zinc/85/70/77/519857077.db2.gz RAGYUEWOWAPHBN-UHFFFAOYSA-N 1 0 249.314 0.543 10 0 BCAERO CCOC[C@H](O)c1nc(C)c(C[NH3+])s1 ZINC000757124835 582499152 /nfs/dbraw/zinc/49/91/52/582499152.db2.gz DEQZKRVEEZWVBU-ZETCQYMHSA-N 1 0 216.306 0.980 10 0 BCAERO CS(=O)(=O)CCN1CCC[C@@]12CCC[NH2+]C2 ZINC000757128062 582503097 /nfs/dbraw/zinc/50/30/97/582503097.db2.gz IPLOOXVLFFULDG-LLVKDONJSA-N 1 0 246.376 0.249 10 0 BCAERO CC1(C)CC2(C1)[NH2+]C[C@@]1(COCCN1)CO2 ZINC000757138660 582518605 /nfs/dbraw/zinc/51/86/05/582518605.db2.gz DEYVMBQNXQWCLU-LLVKDONJSA-N 1 0 226.320 0.481 10 0 BCAERO [NH3+]C[C@H]1CCN1c1ncnc2[nH]ccc21 ZINC000757145862 582528406 /nfs/dbraw/zinc/52/84/06/582528406.db2.gz MLFGHOUYXYRLKN-SSDOTTSWSA-N 1 0 203.249 0.495 10 0 BCAERO C[NH+]1CCC2(CC1)NC1(COC1)CCO2 ZINC000757147770 582531343 /nfs/dbraw/zinc/53/13/43/582531343.db2.gz MGOHXECJSYCNCC-UHFFFAOYSA-N 1 0 212.293 0.187 10 0 BCAERO CC1(C)COC[C@@H](CN2CC[C@@H]2C[NH3+])O1 ZINC000757148180 582532394 /nfs/dbraw/zinc/53/23/94/582532394.db2.gz TWDMOFWTTZWRKB-NXEZZACHSA-N 1 0 214.309 0.213 10 0 BCAERO CN1CCOC[C@@]12C[NH2+]C1(CCCC1)OC2 ZINC000757148328 582532976 /nfs/dbraw/zinc/53/29/76/582532976.db2.gz UEHITMCCXBIULI-LLVKDONJSA-N 1 0 226.320 0.577 10 0 BCAERO COCc1nc(CN2CC[C@H]2C[NH3+])cs1 ZINC000757148606 582532999 /nfs/dbraw/zinc/53/29/99/582532999.db2.gz TVAMXSVWGHFUNE-VIFPVBQESA-N 1 0 227.333 0.823 10 0 BCAERO NC(=O)[C@@H]1CCN1CC1(C[NH3+])CCCC1 ZINC000757150623 582534790 /nfs/dbraw/zinc/53/47/90/582534790.db2.gz WMWPVGHRYGGIKI-VIFPVBQESA-N 1 0 211.309 0.065 10 0 BCAERO CCN(C)S(=O)(=O)C[C@H]([NH3+])c1cccnc1 ZINC000757152448 582536693 /nfs/dbraw/zinc/53/66/93/582536693.db2.gz MABOXDLQXVNDEF-JTQLQIEISA-N 1 0 243.332 0.363 10 0 BCAERO NC(=O)[C@@H]1CCN1[C@@H]1CCCC[C@H]1C[NH3+] ZINC000757151796 582536208 /nfs/dbraw/zinc/53/62/08/582536208.db2.gz XQJWIYUFXIRNKC-AEJSXWLSSA-N 1 0 211.309 0.064 10 0 BCAERO NC(=O)[C@H]1CCN1CC[C@@H]1CCCC1=O ZINC000757153900 582538479 /nfs/dbraw/zinc/53/84/79/582538479.db2.gz WDQAZVNMNNHQJL-DTWKUNHWSA-N 1 0 210.277 0.305 10 0 BCAERO N[C@H]1C[NH2+]C[C@H](c2cccc(C=O)c2)C1 ZINC000757217861 582562780 /nfs/dbraw/zinc/56/27/80/582562780.db2.gz SXRGNYSMKJACMN-VXGBXAGGSA-N 1 0 204.273 0.903 10 0 BCAERO CCCC[C@@H]([NH3+])[C@H](O)C(=O)NC1CC1 ZINC000114495462 582634111 /nfs/dbraw/zinc/63/41/11/582634111.db2.gz UEWOYZVFQJKJOL-BDAKNGLRSA-N 1 0 200.282 0.143 10 0 BCAERO [NH3+]CCc1nc2n(n1)[C@H](C(F)F)CCN2 ZINC000236269488 582643490 /nfs/dbraw/zinc/64/34/90/582643490.db2.gz YFLXKJSCLJVIAF-YFKPBYRVSA-N 1 0 217.223 0.401 10 0 BCAERO CCS(=O)(=O)N(C)c1ccccc1C[NH3+] ZINC000087502670 582654448 /nfs/dbraw/zinc/65/44/48/582654448.db2.gz FFUVGWZIQKDVRI-UHFFFAOYSA-N 1 0 228.317 0.931 10 0 BCAERO CCOC(=O)[C@H](CC)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261541555 535648966 /nfs/dbraw/zinc/64/89/66/535648966.db2.gz BHUMVCMETGYWPG-USZNOCQGSA-N 1 0 240.347 0.997 10 0 BCAERO C[C@H](O)CCC[N@@H+]1C[C@@H](C)C[C@H](O)C1 ZINC000401569642 534055155 /nfs/dbraw/zinc/05/51/55/534055155.db2.gz DFYDWXIJWQPAGP-DCAQKATOSA-N 1 0 201.310 0.850 10 0 BCAERO C[C@H](O)CCC[N@@H+]1C[C@H](C)C[C@H](O)C1 ZINC000401569647 534055401 /nfs/dbraw/zinc/05/54/01/534055401.db2.gz DFYDWXIJWQPAGP-VWYCJHECSA-N 1 0 201.310 0.850 10 0 BCAERO CCC[C@H](O)CNC(=O)[C@H]1C[NH2+]C[C@H]1C ZINC000252690967 535714335 /nfs/dbraw/zinc/71/43/35/535714335.db2.gz WMMIDRJSNLSTFS-UTLUCORTSA-N 1 0 214.309 0.119 10 0 BCAERO CCn1c(C)nnc1CN1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000261981409 535974895 /nfs/dbraw/zinc/97/48/95/535974895.db2.gz IBCWDTQTIGRCMT-ONGXEEELSA-N 1 0 237.351 0.776 10 0 BCAERO C[C@H](NS(=O)(=O)C(F)F)[C@H]1CCCC[NH2+]1 ZINC000035691666 518183496 /nfs/dbraw/zinc/18/34/96/518183496.db2.gz GJYDGHYYWDRJKP-NKWVEPMBSA-N 1 0 242.291 0.659 10 0 BCAERO CCCn1c(=O)n(CC)nc1C1CC[NH2+]CC1 ZINC000229004464 521619678 /nfs/dbraw/zinc/61/96/78/521619678.db2.gz GVQPJULEFMKLQM-UHFFFAOYSA-N 1 0 238.335 0.942 10 0 BCAERO C[NH2+]C1(C(=O)[O-])C[C@H](C)[NH+](C)[C@@H](C)C1 ZINC000057354482 521947737 /nfs/dbraw/zinc/94/77/37/521947737.db2.gz SDDAXJMPDGGRKY-YUMQZZPRSA-N 1 0 200.282 0.532 10 0 BCAERO CC[C@@](O)(C[NH3+])[C@@H](C)NC(=O)OC(C)(C)C ZINC000072207853 523690798 /nfs/dbraw/zinc/69/07/98/523690798.db2.gz RMWMJUQWSNGPGZ-LDYMZIIASA-N 1 0 232.324 0.999 10 0 BCAERO CCC[NH2+][C@H](Cn1cc(C)cn1)C(N)=O ZINC000045436294 582878940 /nfs/dbraw/zinc/87/89/40/582878940.db2.gz ZZVRXWRHFAMBAL-SECBINFHSA-N 1 0 210.281 0.045 10 0 BCAERO CC(C)[NH2+][C@H](Cn1cc(Cl)cn1)C(N)=O ZINC000045436827 582879788 /nfs/dbraw/zinc/87/97/88/582879788.db2.gz HNNFGQPGPVGDCG-MRVPVSSYSA-N 1 0 230.699 0.388 10 0 BCAERO Cc1ccc(-c2noc(CC[NH3+])n2)n1C ZINC000229002953 525877852 /nfs/dbraw/zinc/87/78/52/525877852.db2.gz WXEKGJPCSDRQND-UHFFFAOYSA-N 1 0 206.249 0.885 10 0 BCAERO CC(=O)c1ccccc1C(=O)NCC1C[NH2+]C1 ZINC000262027484 534911109 /nfs/dbraw/zinc/91/11/09/534911109.db2.gz NIXNQTINYOKNHF-UHFFFAOYSA-N 1 0 232.283 0.838 10 0 BCAERO CC(C)(C)OC(=O)N1C[C@@H](C(C)(C)O)[C@H]([NH3+])C1 ZINC000306156370 526426247 /nfs/dbraw/zinc/42/62/47/526426247.db2.gz BJPFEBVYTLTISW-RKDXNWHRSA-N 1 0 244.335 0.952 10 0 BCAERO CC(C)(C)OC(=O)N1C[C@H]([NH3+])[C@H](C(C)(C)O)C1 ZINC000306156367 526427974 /nfs/dbraw/zinc/42/79/74/526427974.db2.gz BJPFEBVYTLTISW-BDAKNGLRSA-N 1 0 244.335 0.952 10 0 BCAERO C[NH2+]CC(=O)NC[C@H]1CCO[C@H]1C(C)C ZINC000261550894 536440963 /nfs/dbraw/zinc/44/09/63/536440963.db2.gz PXCBNYNSUIQCHO-KOLCDFICSA-N 1 0 214.309 0.383 10 0 BCAERO C[NH2+]C[C@H]1CCCN(c2cnccn2)C1 ZINC000040602110 536466223 /nfs/dbraw/zinc/46/62/23/536466223.db2.gz IKXJQZDIMGFMHE-SNVBAGLBSA-N 1 0 206.293 0.912 10 0 BCAERO [NH3+]CCOCCNC(=O)c1cccc(F)c1 ZINC000074533356 527188480 /nfs/dbraw/zinc/18/84/80/527188480.db2.gz DCVBQVHNQIGJKA-UHFFFAOYSA-N 1 0 226.251 0.531 10 0 BCAERO [NH3+]CCOCCNC(=O)c1ccccc1F ZINC000074533354 527189754 /nfs/dbraw/zinc/18/97/54/527189754.db2.gz BHCJQMRTTRACSA-UHFFFAOYSA-N 1 0 226.251 0.531 10 0 BCAERO CC(C)(O)[C@H]1CCC[N@@H+]1C[C@H]1CNC(=O)O1 ZINC000496479200 527364582 /nfs/dbraw/zinc/36/45/82/527364582.db2.gz HAUNULJMQRGMFU-RKDXNWHRSA-N 1 0 228.292 0.330 10 0 BCAERO Cn1cnc2nc(Cl)nc(NCC[NH3+])c21 ZINC000057346998 527504226 /nfs/dbraw/zinc/50/42/26/527504226.db2.gz AQZDDGBGBVOVQM-UHFFFAOYSA-N 1 0 226.671 0.387 10 0 BCAERO Cn1cncc1[C@H]1[C@H](C[NH3+])CCCN1C ZINC000085168894 527512537 /nfs/dbraw/zinc/51/25/37/527512537.db2.gz BNYHESMNDBMAIR-GXSJLCMTSA-N 1 0 208.309 0.762 10 0 BCAERO CCN(CC)C(=O)C[N@@H+]1C[C@@H](C)C[C@H](O)C1 ZINC000401758498 528026838 /nfs/dbraw/zinc/02/68/38/528026838.db2.gz QXGFJUGOSGYNLB-QWRGUYRKSA-N 1 0 228.336 0.558 10 0 BCAERO CC1(C)C[N@H+](C[C@H]2CNC(=O)O2)CC[C@H]1O ZINC000303797086 529123121 /nfs/dbraw/zinc/12/31/21/529123121.db2.gz HFULKBUOZLKKIH-RKDXNWHRSA-N 1 0 228.292 0.188 10 0 BCAERO CC(C)c1nnc(CNC(=O)C2C[NH2+]C2)s1 ZINC000262293778 534979858 /nfs/dbraw/zinc/97/98/58/534979858.db2.gz YCPUBQWENSDAMS-UHFFFAOYSA-N 1 0 240.332 0.497 10 0 BCAERO CC(C)CN(C)C(=O)[C@H]([NH3+])C1CCOCC1 ZINC000261751680 535022036 /nfs/dbraw/zinc/02/20/36/535022036.db2.gz LFZJGLWQFMNTBM-LLVKDONJSA-N 1 0 228.336 0.855 10 0 BCAERO CC1(C)[C@@H]2CN(C(=O)C3([NH3+])CCOCC3)C[C@@H]21 ZINC000261942028 535037713 /nfs/dbraw/zinc/03/77/13/535037713.db2.gz XNZOZADLLMNFLR-AOOOYVTPSA-N 1 0 238.331 0.609 10 0 BCAERO CC(C)Oc1nc(N2CC[NH2+]CC2)ccc1N ZINC000050607385 535072595 /nfs/dbraw/zinc/07/25/95/535072595.db2.gz SOOWUXCAZPSTLY-UHFFFAOYSA-N 1 0 236.319 0.861 10 0 BCAERO CC(C)[C@H](NC(=O)C[C@@H]1CCC[C@H]1[NH3+])C(N)=O ZINC000261779071 535088987 /nfs/dbraw/zinc/08/89/87/535088987.db2.gz PANUNDHXSIUWIM-NGZCFLSTSA-N 1 0 241.335 0.130 10 0 BCAERO CCC([NH3+])(CC)CNc1nccn(C)c1=O ZINC000168515456 535195185 /nfs/dbraw/zinc/19/51/85/535195185.db2.gz SEDMQFIRMMTURP-UHFFFAOYSA-N 1 0 224.308 0.710 10 0 BCAERO CCC1(CNC(=O)[C@H]([NH3+])COC)CC1 ZINC000232935755 535292219 /nfs/dbraw/zinc/29/22/19/535292219.db2.gz SNSUAUROKCMMTA-MRVPVSSYSA-N 1 0 200.282 0.267 10 0 BCAERO CC(C)[C@@H]1OCC[C@@H]1CNC(=O)C(C)(C)[NH3+] ZINC000262494045 535295565 /nfs/dbraw/zinc/29/55/65/535295565.db2.gz YMNKWUQZBXMOEC-ZJUUUORDSA-N 1 0 228.336 0.901 10 0 BCAERO CC(C)C(=O)N1CCC([NH2+]C2COC2)CC1 ZINC000087597184 535373091 /nfs/dbraw/zinc/37/30/91/535373091.db2.gz MZZGVLGUWBDVID-UHFFFAOYSA-N 1 0 226.320 0.622 10 0 BCAERO CC(C)CC(C)(C)C(=O)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000262140497 535382239 /nfs/dbraw/zinc/38/22/39/535382239.db2.gz HDZQBKHZZFZPQG-QWRGUYRKSA-N 1 0 242.363 0.755 10 0 BCAERO CCNC(=O)c1ccccc1N1CC[NH2+]CC1 ZINC000020221388 535449370 /nfs/dbraw/zinc/44/93/70/535449370.db2.gz KTITWKUESGWDTE-UHFFFAOYSA-N 1 0 233.315 0.846 10 0 BCAERO CCO[C@@H]1C[C@H]([NH2+]CCO)C12CCOCC2 ZINC000186212105 535498257 /nfs/dbraw/zinc/49/82/57/535498257.db2.gz KIMNOBOCPPURLH-WDEREUQCSA-N 1 0 229.320 0.543 10 0 BCAERO CCO[C@@H]1C[C@H]1C(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000178868639 535526314 /nfs/dbraw/zinc/52/63/14/535526314.db2.gz HNBBNOPVFYBVEI-YUSALJHKSA-N 1 0 240.347 0.997 10 0 BCAERO CCOc1cccnc1C(=O)NC[C@@H](C)[NH2+]C ZINC000261615352 535554863 /nfs/dbraw/zinc/55/48/63/535554863.db2.gz ARIIGLBAIOROAX-SECBINFHSA-N 1 0 237.303 0.818 10 0 BCAERO CCO[C@H](C)c1nc([C@H]2C[NH2+]CCN2C)no1 ZINC000263247530 535567441 /nfs/dbraw/zinc/56/74/41/535567441.db2.gz PMBJGTCPEUOVMM-RKDXNWHRSA-N 1 0 240.307 0.743 10 0 BCAERO CCC[C@H](C(=O)Nc1nncn1C)[NH+](C)C ZINC000164128815 535585281 /nfs/dbraw/zinc/58/52/81/535585281.db2.gz SGLHKYCQEUSYTE-MRVPVSSYSA-N 1 0 225.296 0.484 10 0 BCAERO CCOCCNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171900269 535616859 /nfs/dbraw/zinc/61/68/59/535616859.db2.gz PACIPUBAXHVPKC-LLVKDONJSA-N 1 0 241.335 0.513 10 0 BCAERO CCOCCNC(=O)[C@H]1CCC[NH2+][C@H]1C ZINC000087122426 535622634 /nfs/dbraw/zinc/62/26/34/535622634.db2.gz SRICAESWAUKFLV-UWVGGRQHSA-N 1 0 214.309 0.527 10 0 BCAERO CCOC(=O)[C@H](C)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000252321818 535625534 /nfs/dbraw/zinc/62/55/34/535625534.db2.gz ZBLQBNLWSUCDAF-QWRGUYRKSA-N 1 0 244.335 0.200 10 0 BCAERO CCS(=O)(=O)CCN1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261588232 535629626 /nfs/dbraw/zinc/62/96/26/535629626.db2.gz SEVVUFCNTLAJFR-DCAQKATOSA-N 1 0 246.376 0.090 10 0 BCAERO CCSCC[N@@H+]1C[C@H](O)C[C@@H]1CO ZINC000179175861 535684847 /nfs/dbraw/zinc/68/48/47/535684847.db2.gz BWXMCPRQDGIJJM-RKDXNWHRSA-N 1 0 205.323 0.167 10 0 BCAERO CCOC[C@H](O)C[N@H+]1[C@H](C)COC[C@@H]1C ZINC000077657748 535698316 /nfs/dbraw/zinc/69/83/16/535698316.db2.gz YAONYOKSFUVVHM-OUAUKWLOSA-N 1 0 217.309 0.493 10 0 BCAERO CC[C@](C)(O)C[N@H+](C)C[C@H](C)C(=O)OC ZINC000252005424 535841428 /nfs/dbraw/zinc/84/14/28/535841428.db2.gz ZUIAYZIRENXKMG-ONGXEEELSA-N 1 0 217.309 0.888 10 0 BCAERO CC[C@H](C)[C@@H]([NH3+])C(=O)NCc1ccc(=O)[nH]c1 ZINC000262672359 535847820 /nfs/dbraw/zinc/84/78/20/535847820.db2.gz PFXDIUKJZPQPGC-GZMMTYOYSA-N 1 0 237.303 0.777 10 0 BCAERO CCn1nccc1CN1CCC[C@@H]1C[NH3+] ZINC000164145643 535867853 /nfs/dbraw/zinc/86/78/53/535867853.db2.gz QKZXNFMGYRTWQL-SNVBAGLBSA-N 1 0 208.309 0.826 10 0 BCAERO CC[C@H](C)[C@H]([NH3+])C(=O)N1C[C@@H](O)[C@@H](CC)C1 ZINC000262575590 535951169 /nfs/dbraw/zinc/95/11/69/535951169.db2.gz OGPCTANGOBONHJ-MMWGEVLESA-N 1 0 228.336 0.589 10 0 BCAERO CC[C@@](C)(O)C[N@@H+]1CCO[C@@]2(CCOC2)C1 ZINC000249398530 536003306 /nfs/dbraw/zinc/00/33/06/536003306.db2.gz SGFDJPAJNBBSSK-NEPJUHHUSA-N 1 0 229.320 0.639 10 0 BCAERO CN(C(=O)Cc1cccc(F)c1)C1C[NH2+]C1 ZINC000085257687 536007172 /nfs/dbraw/zinc/00/71/72/536007172.db2.gz VPZUWPFZCIUGFI-UHFFFAOYSA-N 1 0 222.263 0.798 10 0 BCAERO CC[C@H](OC)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000261536082 536014540 /nfs/dbraw/zinc/01/45/40/536014540.db2.gz QHLQOYIWDYUMCA-IUCAKERBSA-N 1 0 200.282 0.361 10 0 BCAERO CC[C@@]1(C)CCCN(C(=O)[C@H]([NH3+])COC)C1 ZINC000262273733 536037436 /nfs/dbraw/zinc/03/74/36/536037436.db2.gz KUOFCQNBWXRXGW-PWSUYJOCSA-N 1 0 228.336 0.999 10 0 BCAERO CC[C@H]1CC[C@@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC000070760284 536094560 /nfs/dbraw/zinc/09/45/60/536094560.db2.gz JIWYHENMSRKMAE-VHSXEESVSA-N 1 0 234.365 0.704 10 0 BCAERO CCn1cccc1C[NH2+][C@H](C)CC(N)=O ZINC000220431979 536102088 /nfs/dbraw/zinc/10/20/88/536102088.db2.gz QMFMXNUMBBPZHQ-SECBINFHSA-N 1 0 209.293 0.862 10 0 BCAERO CC[C@H](COC)NC(=O)[C@H]1C[NH2+]C[C@H]1C ZINC000251050553 536119271 /nfs/dbraw/zinc/11/92/71/536119271.db2.gz FZQTZYTWYHUUCO-BBBLOLIVSA-N 1 0 214.309 0.383 10 0 BCAERO Cn1nc(Cn2cc[nH+]c2N)cc1Cl ZINC000702567185 582927178 /nfs/dbraw/zinc/92/71/78/582927178.db2.gz UXWZLJYWIPADJZ-UHFFFAOYSA-N 1 0 211.656 0.901 10 0 BCAERO COC(=O)C[C@H](C)NC(=O)[C@@H]1CCC[C@H]1[NH3+] ZINC000261578559 536338241 /nfs/dbraw/zinc/33/82/41/536338241.db2.gz LQWYLPJNZJWTPY-DJLDLDEBSA-N 1 0 228.292 0.182 10 0 BCAERO C[NH2+][C@H](C)CNC(=O)[C@@H]1CCc2c[nH]nc2C1 ZINC000261656368 536398706 /nfs/dbraw/zinc/39/87/06/536398706.db2.gz FMTNEJVJYXGTIT-RKDXNWHRSA-N 1 0 236.319 0.239 10 0 BCAERO C[NH2+][C@H](C)CNS(=O)(=O)c1cccs1 ZINC000261530378 536403983 /nfs/dbraw/zinc/40/39/83/536403983.db2.gz ZEYMLUMGQCCXRS-SSDOTTSWSA-N 1 0 234.346 0.634 10 0 BCAERO C[NH2+][C@H](C)CNc1ccnc(C(N)=O)c1 ZINC000261529643 536404385 /nfs/dbraw/zinc/40/43/85/536404385.db2.gz BFGYMYPACJCQGU-SSDOTTSWSA-N 1 0 208.265 0.200 10 0 BCAERO CO[C@H](C[NH3+])C(=O)N1CCC[C@H]2CCC[C@H]21 ZINC000261571962 536556769 /nfs/dbraw/zinc/55/67/69/536556769.db2.gz HWOBWKJIOVWVBV-GMTAPVOTSA-N 1 0 226.320 0.751 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N([C@H](C)C1CC1)C1CC1 ZINC000262047038 536653185 /nfs/dbraw/zinc/65/31/85/536653185.db2.gz GYKZXHIFYFXNCD-LDYMZIIASA-N 1 0 226.320 0.750 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N(C)c1ccc(F)cc1 ZINC000088003994 536654384 /nfs/dbraw/zinc/65/43/84/536654384.db2.gz ZWEYIIQHIFFWCS-SNVBAGLBSA-N 1 0 226.251 0.762 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N1CCCCC[C@H]1C ZINC000088004508 536655214 /nfs/dbraw/zinc/65/52/14/536655214.db2.gz SNTFFYTWFSSEEB-NXEZZACHSA-N 1 0 214.309 0.751 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N1CCCC[C@H]1C(C)C ZINC000262568416 536655499 /nfs/dbraw/zinc/65/54/99/536655499.db2.gz SBEGTYLOYTYNHB-MNOVXSKESA-N 1 0 228.336 0.997 10 0 BCAERO COc1cc(C)nc(N2CCC[C@H](C[NH3+])C2)n1 ZINC000169201288 536698588 /nfs/dbraw/zinc/69/85/88/536698588.db2.gz UOTCXRMHCVRDKI-SNVBAGLBSA-N 1 0 236.319 0.969 10 0 BCAERO COc1cc(C)nc(N2CCC[C@@H]([NH3+])C2)n1 ZINC000162387290 536699450 /nfs/dbraw/zinc/69/94/50/536699450.db2.gz DLRNQFLZLSCGQA-SECBINFHSA-N 1 0 222.292 0.721 10 0 BCAERO COc1cc(C)nc(N2CCC(C[NH3+])CC2)n1 ZINC000169201458 536699492 /nfs/dbraw/zinc/69/94/92/536699492.db2.gz CXYUIUVWKPLCKK-UHFFFAOYSA-N 1 0 236.319 0.969 10 0 BCAERO COc1ccc(N2CC[C@H]3C[NH2+][C@H]3C2)cn1 ZINC000035080255 536706503 /nfs/dbraw/zinc/70/65/03/536706503.db2.gz AKHVAZATPKHABW-ONGXEEELSA-N 1 0 219.288 0.888 10 0 BCAERO COCc1ccc(C(=O)NCC[C@@H](C)[NH3+])o1 ZINC000178625951 536755591 /nfs/dbraw/zinc/75/55/91/536755591.db2.gz HYSYETJEADPKNE-MRVPVSSYSA-N 1 0 226.276 0.893 10 0 BCAERO CO[C@H]1C[NH+](Cc2cnc(N)s2)C[C@@H]1OC ZINC000261533890 536768240 /nfs/dbraw/zinc/76/82/40/536768240.db2.gz KWWMGNCQAYBGDP-IUCAKERBSA-N 1 0 243.332 0.571 10 0 BCAERO COCCN(C)C(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000085011454 536769963 /nfs/dbraw/zinc/76/99/63/536769963.db2.gz FSFXJEASYSGMEZ-BDAKNGLRSA-N 1 0 200.282 0.219 10 0 BCAERO COCCN(C)C(=O)[C@@H]1CCC[NH2+][C@H]1C ZINC000087122595 536770676 /nfs/dbraw/zinc/77/06/76/536770676.db2.gz RMIZZOCBKLQMNJ-VHSXEESVSA-N 1 0 214.309 0.479 10 0 BCAERO COC[C@@]1(C(=O)N[C@@H](C)CC2CC2)CC[NH2+]C1 ZINC000261556137 536816760 /nfs/dbraw/zinc/81/67/60/536816760.db2.gz QJKNGKOYIIHJEV-GXFFZTMASA-N 1 0 240.347 0.917 10 0 BCAERO COC[C@H](C)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000178742386 536826660 /nfs/dbraw/zinc/82/66/60/536826660.db2.gz RJWYNXHDTMVURS-IUCAKERBSA-N 1 0 200.282 0.137 10 0 BCAERO COc1cc(N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)ncn1 ZINC000261563679 536832201 /nfs/dbraw/zinc/83/22/01/536832201.db2.gz XDAKGXNXPYJMDP-IVZWLZJFSA-N 1 0 234.303 0.659 10 0 BCAERO COCCN(CCOC)C(=O)[C@@H]1CCC[C@H]1[NH3+] ZINC000085358992 536843958 /nfs/dbraw/zinc/84/39/58/536843958.db2.gz IJIPXTWINUNGTP-GHMZBOCLSA-N 1 0 244.335 0.235 10 0 BCAERO COCCn1cc(CN2C[C@H](C)[C@H]([NH3+])C2)cn1 ZINC000262020610 536845721 /nfs/dbraw/zinc/84/57/21/536845721.db2.gz NCGJIXNXRMRHIY-CMPLNLGQSA-N 1 0 238.335 0.309 10 0 BCAERO COC[C@H]([NH3+])C(=O)N1CCC[C@@H]1C(C)(C)C ZINC000262192348 536860371 /nfs/dbraw/zinc/86/03/71/536860371.db2.gz MCQJAHMRPATZTD-VHSXEESVSA-N 1 0 228.336 0.997 10 0 BCAERO COCCCC(=O)N1CCC[C@H]([NH3+])C1 ZINC000087436926 536868387 /nfs/dbraw/zinc/86/83/87/536868387.db2.gz AEZXBQHMBMRYDY-VIFPVBQESA-N 1 0 200.282 0.363 10 0 BCAERO COCCCC(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000087421206 536869727 /nfs/dbraw/zinc/86/97/27/536869727.db2.gz DYHSLUQCYDMWPI-UWVGGRQHSA-N 1 0 214.309 0.670 10 0 BCAERO COc1ccccc1CNC[C@@H]1C[NH2+]C[C@@H]1O ZINC000263296013 537047601 /nfs/dbraw/zinc/04/76/01/537047601.db2.gz WHNVUMCTRCBAKV-NEPJUHHUSA-N 1 0 236.315 0.365 10 0 BCAERO Cc1nn(CC[C@@H]([NH3+])C(N)=O)cc1Cl ZINC000070704342 537881551 /nfs/dbraw/zinc/88/15/51/537881551.db2.gz LKYCCLODGODSED-SSDOTTSWSA-N 1 0 216.672 0.048 10 0 BCAERO Cc1nn(CC[C@](C)([NH3+])C(N)=O)cc1Cl ZINC000070704268 537881901 /nfs/dbraw/zinc/88/19/01/537881901.db2.gz NEMQPXPQHZEWCE-VIFPVBQESA-N 1 0 230.699 0.438 10 0 BCAERO Cn1nccc1-c1nn[nH]c1C[NH2+]C1CC1 ZINC000725256832 538060255 /nfs/dbraw/zinc/06/02/55/538060255.db2.gz BGPDZKIXHDQSHY-UHFFFAOYSA-N 1 0 218.264 0.457 10 0 BCAERO CS(=O)(=O)c1cnn(C[C@@H]2CC[C@@H]([NH3+])C2)c1 ZINC000725252919 538035278 /nfs/dbraw/zinc/03/52/78/538035278.db2.gz PMIICZQSSNMNFB-RKDXNWHRSA-N 1 0 243.332 0.414 10 0 BCAERO COC(=O)c1ccnc2c1cnn2C1C[NH2+]C1 ZINC000725259325 566306169 /nfs/dbraw/zinc/30/61/69/566306169.db2.gz WIXRORPCSVMUHG-UHFFFAOYSA-N 1 0 232.243 0.362 10 0 BCAERO CCCCS(=O)(=O)NC1CC(C[NH3+])C1 ZINC000309103741 566338794 /nfs/dbraw/zinc/33/87/94/566338794.db2.gz GYVFYZHYJXKAKO-UHFFFAOYSA-N 1 0 220.338 0.443 10 0 BCAERO O[C@H]1C[NH2+]C[C@@H]1N1Cc2ccccc2C1 ZINC000082524489 566410084 /nfs/dbraw/zinc/41/00/84/566410084.db2.gz VNRVQEVSAYNFHD-RYUDHWBXSA-N 1 0 204.273 0.335 10 0 BCAERO CC(C)[C@@H](C)C(=O)N1C[C@@H]2[C@@H](C[NH3+])[C@@H]2C1 ZINC000675053769 566415390 /nfs/dbraw/zinc/41/53/90/566415390.db2.gz KWYSNJMPULKALS-DBIOUOCHSA-N 1 0 210.321 0.942 10 0 BCAERO CC(C)(C)[NH2+]C[C@H](O)C[C@]1(O)CCOC1 ZINC000669381224 566424340 /nfs/dbraw/zinc/42/43/40/566424340.db2.gz CBBRCRMLWSYHHB-MWLCHTKSSA-N 1 0 217.309 0.277 10 0 BCAERO CCO[C@@H]1CC[C@H]2[NH2+]CCN(CC)[C@H]2N1 ZINC000669380718 566425604 /nfs/dbraw/zinc/42/56/04/566425604.db2.gz ULULYHPEMBICTH-GMTAPVOTSA-N 1 0 213.325 0.352 10 0 BCAERO COCC1(C[NH2+][C@@H](C)CO)CCOCC1 ZINC000669381346 566427166 /nfs/dbraw/zinc/42/71/66/566427166.db2.gz GMPWNFJMOGLVGU-JTQLQIEISA-N 1 0 217.309 0.400 10 0 BCAERO c1cc([C@@H]2CNC3=[NH+]CCN3C2)ccn1 ZINC000232476281 566490679 /nfs/dbraw/zinc/49/06/79/566490679.db2.gz YEPAIDLOUZAPGP-SNVBAGLBSA-N 1 0 202.261 0.440 10 0 BCAERO CC[N@@H+]1CC[C@@H](NC(=O)N[C@H]2CCOC2)C1 ZINC000390015611 583086058 /nfs/dbraw/zinc/08/60/58/583086058.db2.gz UQFIIRVOOLVVEI-ZJUUUORDSA-N 1 0 227.308 0.169 10 0 BCAERO COC[C@@H](O)c1nc(CC[NH3+])cs1 ZINC000757129537 582504199 /nfs/dbraw/zinc/50/41/99/582504199.db2.gz NMFJJMMACMQTIG-SSDOTTSWSA-N 1 0 202.279 0.324 10 0 BCAERO CC1=NC2=[NH+]CC[C@H]([C@H]3CC[C@H](C)O3)N2N1 ZINC000334138136 582507586 /nfs/dbraw/zinc/50/75/86/582507586.db2.gz SQZNBHAVTDXHDI-FXBDTBDDSA-N 1 0 222.292 0.921 10 0 BCAERO CN1CCOC[C@]12C[NH2+]C1(CCCCC1)OC2 ZINC000757138647 582518436 /nfs/dbraw/zinc/51/84/36/582518436.db2.gz DAZNQEDRTNGBKF-LBPRGKRZSA-N 1 0 240.347 0.967 10 0 BCAERO C1C[C@]2(CO1)[NH2+]CC1(CCOCC1)CO2 ZINC000757139802 582520376 /nfs/dbraw/zinc/52/03/76/582520376.db2.gz HTOZIQOKSAAPNO-NSHDSACASA-N 1 0 213.277 0.520 10 0 BCAERO CC(C)n1ccc(CN2CC[C@H]2C[NH3+])n1 ZINC000757142786 582522842 /nfs/dbraw/zinc/52/28/42/582522842.db2.gz FPYCBLBOOZIDHT-NSHDSACASA-N 1 0 208.309 0.997 10 0 BCAERO Cc1cc(=O)[nH]c(CN2CC[C@H]2C[NH3+])n1 ZINC000757143674 582523896 /nfs/dbraw/zinc/52/38/96/582523896.db2.gz HJVUOWHADAXEGJ-QMMMGPOBSA-N 1 0 208.265 0.024 10 0 BCAERO Cn1nc(CN2CC[C@H]2C[NH3+])cc1Cl ZINC000757144244 582524524 /nfs/dbraw/zinc/52/45/24/582524524.db2.gz IHZRZEDWPCQENF-QMMMGPOBSA-N 1 0 214.700 0.607 10 0 BCAERO CCc1ncnc(N2CC[C@@H]2C[NH3+])c1F ZINC000757144728 582525370 /nfs/dbraw/zinc/52/53/70/582525370.db2.gz JKANHRCLGHJDGE-SSDOTTSWSA-N 1 0 210.256 0.716 10 0 BCAERO Cc1csc(=O)n1CCN1CC[C@H]1C[NH3+] ZINC000757145343 582527381 /nfs/dbraw/zinc/52/73/81/582527381.db2.gz KZZVHQGTODIXSX-VIFPVBQESA-N 1 0 227.333 0.251 10 0 BCAERO Cc1cc(C)nc(CN2CC[C@H]2C[NH3+])n1 ZINC000757145519 582527785 /nfs/dbraw/zinc/52/77/85/582527785.db2.gz LQODXPKHJVGPJP-JTQLQIEISA-N 1 0 206.293 0.626 10 0 BCAERO [NH3+]C[C@@H]1CCN1c1cccc2nccn21 ZINC000757145447 582528135 /nfs/dbraw/zinc/52/81/35/582528135.db2.gz LLBLWSAURYITHP-VIFPVBQESA-N 1 0 202.261 0.872 10 0 BCAERO CCC1(CC)[NH2+]C[C@]2(COCCN2)CO1 ZINC000757146263 582529847 /nfs/dbraw/zinc/52/98/47/582529847.db2.gz QUAHCDRIGNZUOO-JTQLQIEISA-N 1 0 214.309 0.481 10 0 BCAERO CCc1ccc(CSC[C@H]([NH3+])C(N)=O)o1 ZINC000757163979 582545947 /nfs/dbraw/zinc/54/59/47/582545947.db2.gz GFEZNDARUZJGMK-VIFPVBQESA-N 1 0 228.317 0.888 10 0 BCAERO CCOC(=O)[C@H]1C[NH2+]C[C@]12CCSC2 ZINC000757184498 582554386 /nfs/dbraw/zinc/55/43/86/582554386.db2.gz KSMYITCCRGMEKV-SCZZXKLOSA-N 1 0 215.318 0.892 10 0 BCAERO COC(=O)[C@H]1C[NH2+]C[C@@H]1c1ccc(F)nc1 ZINC000757190240 582555879 /nfs/dbraw/zinc/55/58/79/582555879.db2.gz QFBCDZONYQCFPG-BDAKNGLRSA-N 1 0 224.235 0.697 10 0 BCAERO COC(=O)[C@H]1C[NH2+]C[C@H]1c1ccc(F)nc1 ZINC000757190244 582556010 /nfs/dbraw/zinc/55/60/10/582556010.db2.gz QFBCDZONYQCFPG-IUCAKERBSA-N 1 0 224.235 0.697 10 0 BCAERO [NH3+]CC[C@@H]1CCC[C@]12CCS(=O)(=O)C2 ZINC000757194258 582557996 /nfs/dbraw/zinc/55/79/96/582557996.db2.gz BNJOUXFOZFLVQH-VHSXEESVSA-N 1 0 217.334 0.940 10 0 BCAERO [NH3+][C@@H]1CNC[C@H](c2ccc(C=O)s2)C1 ZINC000757218599 582561892 /nfs/dbraw/zinc/56/18/92/582561892.db2.gz VELHQQLEUVCRTM-SFYZADRCSA-N 1 0 210.302 0.965 10 0 BCAERO CCn1cc([C@@H]2C[NH2+]C[C@H](C[NH3+])C2)cn1 ZINC000757234641 582563164 /nfs/dbraw/zinc/56/31/64/582563164.db2.gz LAVIZYNQETYLRB-UWVGGRQHSA-N 1 0 208.309 0.555 10 0 BCAERO C[C@H]1CN2C(=[NH+]CC[C@@H]2c2ccnn2C)N1 ZINC000235694666 582603162 /nfs/dbraw/zinc/60/31/62/582603162.db2.gz TZIXUPBQMREUQX-WCBMZHEXSA-N 1 0 219.292 0.515 10 0 BCAERO Cc1ccc([C@@H]2CC[NH+]=C(N)N2)cc1N ZINC000235881895 582618298 /nfs/dbraw/zinc/61/82/98/582618298.db2.gz UYCLCHXSMIVISN-JTQLQIEISA-N 1 0 204.277 0.926 10 0 BCAERO [NH3+]CCCc1nc2n(n1)[C@H](C1CC1)CCN2 ZINC000236206143 582641091 /nfs/dbraw/zinc/64/10/91/582641091.db2.gz CMUZIVRVNSKZNI-VIFPVBQESA-N 1 0 221.308 0.936 10 0 BCAERO CCCCNC(=O)NC[C@H]([NH3+])[C@@H]1CCOC1 ZINC000725255110 582760389 /nfs/dbraw/zinc/76/03/89/582760389.db2.gz SCFYDPSEBLLOLZ-ZJUUUORDSA-N 1 0 229.324 0.450 10 0 BCAERO CC(C)(C)S(=O)(=O)CCn1cc[nH+]c1N ZINC000702518173 582927059 /nfs/dbraw/zinc/92/70/59/582927059.db2.gz RQJAFOSPIOAJCU-UHFFFAOYSA-N 1 0 231.321 0.679 10 0 BCAERO CCc1nnc(Cn2cc[nH+]c2N)s1 ZINC000702688734 582927752 /nfs/dbraw/zinc/92/77/52/582927752.db2.gz HOFNWOMLDXZFOY-UHFFFAOYSA-N 1 0 209.278 0.928 10 0 BCAERO C[C@@H]([C@@H]([NH3+])C(N)=O)n1ccnc1C1CC1 ZINC000704164043 582938618 /nfs/dbraw/zinc/93/86/18/582938618.db2.gz CVXCBBCQWREJOZ-POYBYMJQSA-N 1 0 208.265 0.134 10 0 BCAERO Cc1nn(CC[NH+]2CCSCC2)cc1N ZINC000707319387 582961612 /nfs/dbraw/zinc/96/16/12/582961612.db2.gz SFOZCVUTDJNHDF-UHFFFAOYSA-N 1 0 226.349 0.823 10 0 BCAERO COC1CC([NH2+]C2CCN(CCO)CC2)C1 ZINC000309973372 583083740 /nfs/dbraw/zinc/08/37/40/583083740.db2.gz QWELZTRODFUWIV-UHFFFAOYSA-N 1 0 228.336 0.210 10 0 BCAERO C[C@H]1OCC[C@H]1[NH2+]C1CCN(CCO)CC1 ZINC000393813074 583113074 /nfs/dbraw/zinc/11/30/74/583113074.db2.gz ZEBVEZDANGOFDA-ZYHUDNBSSA-N 1 0 228.336 0.210 10 0 BCAERO COC[C@@H]([NH2+]C1CCN(CCO)CC1)C(C)C ZINC000399148925 583171142 /nfs/dbraw/zinc/17/11/42/583171142.db2.gz YDGZTIRAFIWZPI-CYBMUJFWSA-N 1 0 244.379 0.704 10 0 BCAERO C[C@H]1C[NH2+]C[C@@H](c2nc(C3CC3)no2)O1 ZINC000399652414 583192114 /nfs/dbraw/zinc/19/21/14/583192114.db2.gz CAALLKDPWKPGBW-XPUUQOCRSA-N 1 0 209.249 0.996 10 0 BCAERO CCCNC(=O)NC1CCN(CC[NH3+])CC1 ZINC000082491419 583801288 /nfs/dbraw/zinc/80/12/88/583801288.db2.gz WUMWKQIPWLNYHH-UHFFFAOYSA-N 1 0 228.340 0.119 10 0 BCAERO c1nc2n(n1)[C@@H]([C@@H]1CCC[NH2+]C1)CCN2 ZINC000232461339 585030894 /nfs/dbraw/zinc/03/08/94/585030894.db2.gz SJCDWOQDOZVVQA-RKDXNWHRSA-N 1 0 207.281 0.634 10 0 BCAERO c1nc2nccc([C@H]3CCC[NH2+]C3)n2n1 ZINC000232456069 585031089 /nfs/dbraw/zinc/03/10/89/585031089.db2.gz YJCMELXFVVVDNK-QMMMGPOBSA-N 1 0 203.249 0.591 10 0 BCAERO CCN1CCO[C@H](C[NH3+])[C@@H]1c1nccn1C ZINC000385382560 585037165 /nfs/dbraw/zinc/03/71/65/585037165.db2.gz SKBREXSZSGLXRL-NXEZZACHSA-N 1 0 224.308 0.141 10 0 BCAERO Cn1ccnc1[C@H]1[C@@H]([NH3+])CCC(=O)N1C1CC1 ZINC000385391353 585037192 /nfs/dbraw/zinc/03/71/92/585037192.db2.gz UYTXFVWVUMGIIN-GXSJLCMTSA-N 1 0 234.303 0.573 10 0 BCAERO CC(C)Cn1nnc2c1nc[nH+]c2NN ZINC000757566137 586306428 /nfs/dbraw/zinc/30/64/28/586306428.db2.gz KWAZXBPRBYNGBL-UHFFFAOYSA-N 1 0 207.241 0.163 10 0 BCAERO CC[C@@H]([NH3+])CS(=O)(=O)N1CCCCC1 ZINC000757147214 586426157 /nfs/dbraw/zinc/42/61/57/586426157.db2.gz AYKCPFDVIAILRG-SECBINFHSA-N 1 0 220.338 0.539 10 0 BCAERO CO[C@H](C)[C@H](O)c1nc(CC[NH3+])cs1 ZINC000757127551 586426232 /nfs/dbraw/zinc/42/62/32/586426232.db2.gz JEUACHWHGLODTA-SVRRBLITSA-N 1 0 216.306 0.713 10 0 BCAERO COC[C@H]1CCO[C@]2(CCCOC2)[NH2+]1 ZINC000757143411 586428218 /nfs/dbraw/zinc/42/82/18/586428218.db2.gz CRBNHAAQFSNZRY-ZJUUUORDSA-N 1 0 201.266 0.518 10 0 BCAERO CCC[C@H]([NH3+])CS(=O)(=O)N(C)CC ZINC000757150050 586428829 /nfs/dbraw/zinc/42/88/29/586428829.db2.gz DTLJWMAJRTUDAB-QMMMGPOBSA-N 1 0 208.327 0.395 10 0 BCAERO CCC[C@@H]([NH3+])CS(=O)(=O)N(C)CC ZINC000757150042 586428889 /nfs/dbraw/zinc/42/88/89/586428889.db2.gz DTLJWMAJRTUDAB-MRVPVSSYSA-N 1 0 208.327 0.395 10 0 BCAERO CC(C)C[C@H]([NH3+])CS(=O)(=O)N1CCC1 ZINC000757151667 586428892 /nfs/dbraw/zinc/42/88/92/586428892.db2.gz JEYMZRPEMSWCON-VIFPVBQESA-N 1 0 220.338 0.395 10 0 BCAERO [NH3+]C[C@@H]1CCN1CCCO[C@@H]1CCOC1 ZINC000757152132 586429558 /nfs/dbraw/zinc/42/95/58/586429558.db2.gz YVHILPJBOWYKML-WDEREUQCSA-N 1 0 214.309 0.215 10 0 BCAERO CCC(CC)[C@H]([NH3+])CS(=O)(=O)N1CCC1 ZINC000757154454 586429871 /nfs/dbraw/zinc/42/98/71/586429871.db2.gz ZLSZWOHTZLWDSS-SNVBAGLBSA-N 1 0 234.365 0.785 10 0 BCAERO COC(=O)C[C@@](C)([NH3+])c1ccns1 ZINC000757154155 586430239 /nfs/dbraw/zinc/43/02/39/586430239.db2.gz KYZQPPZSZOZWOB-MRVPVSSYSA-N 1 0 200.263 0.880 10 0 BCAERO COC(=O)C1([C@]2(O)CCC[NH2+]C2)CCOCC1 ZINC000757183556 586434043 /nfs/dbraw/zinc/43/40/43/586434043.db2.gz PLZRYOMJKTUCAM-LBPRGKRZSA-N 1 0 243.303 0.071 10 0 BCAERO COC(=O)[C@@H]1C[NH2+]C[C@@]12CCSC2 ZINC000757186211 586434419 /nfs/dbraw/zinc/43/44/19/586434419.db2.gz WALCRHQZACHTHI-IONNQARKSA-N 1 0 201.291 0.502 10 0 BCAERO CCOC(=O)[C@H]1C[NH2+]C[C@@H]1c1cc[nH]c1 ZINC000757187960 586435158 /nfs/dbraw/zinc/43/51/58/586435158.db2.gz IVXQZOPGOWBYHW-ZJUUUORDSA-N 1 0 208.261 0.881 10 0 BCAERO [NH3+][C@H]1CC[NH2+]C[C@H]1c1ccc(C=O)s1 ZINC000757211738 586437208 /nfs/dbraw/zinc/43/72/08/586437208.db2.gz IRRNYTIDPJLBBJ-BDAKNGLRSA-N 1 0 210.302 0.965 10 0 BCAERO [NH3+]C[C@@H]1OCCC12C[C@H]1CC[C@@H](C2)S1(=O)=O ZINC000757207364 586437248 /nfs/dbraw/zinc/43/72/48/586437248.db2.gz CSDNEGAMEZMEFK-JDUUOCRZSA-N 1 0 245.344 0.460 10 0 BCAERO C[C@@H]1CC[C@H](C[NH3+])[C@@H](c2cnnn2C)N1 ZINC000757213179 586439413 /nfs/dbraw/zinc/43/94/13/586439413.db2.gz OVFJMWCJJYVWJZ-MRTMQBJTSA-N 1 0 209.297 0.203 10 0 BCAERO [NH3+][C@@H]1CC[NH2+]C[C@H]1c1cccc(C(=O)[O-])c1 ZINC000757213361 586439528 /nfs/dbraw/zinc/43/95/28/586439528.db2.gz JRGBCUTXRUBAIQ-WDEREUQCSA-N 1 0 220.272 0.789 10 0 BCAERO CCOC(=O)[C@H]1CCC[NH2+][C@@H]1c1cnnn1C ZINC000757215619 586440655 /nfs/dbraw/zinc/44/06/55/586440655.db2.gz WGZIAULMRYBLHS-WPRPVWTQSA-N 1 0 238.291 0.419 10 0 BCAERO CCOC(=O)[C@@H]1CCC[NH2+][C@H]1c1cnnn1C ZINC000757215607 586440704 /nfs/dbraw/zinc/44/07/04/586440704.db2.gz WGZIAULMRYBLHS-PSASIEDQSA-N 1 0 238.291 0.419 10 0 BCAERO C[C@@H]1C[C@H](C(=O)[O-])C[C@H](C2CC[NH2+]CC2)[NH2+]1 ZINC000757216987 586441329 /nfs/dbraw/zinc/44/13/29/586441329.db2.gz RBOTUFKKDINJTK-DVVUODLYSA-N 1 0 226.320 0.827 10 0 BCAERO O=C([O-])[C@@H]1CC[C@@H]([C@@H]2CCC[NH2+]C2)C[NH2+]1 ZINC000757216526 586441422 /nfs/dbraw/zinc/44/14/22/586441422.db2.gz QDTFMLABEKJOAR-BBBLOLIVSA-N 1 0 212.293 0.439 10 0 BCAERO O=C([O-])[C@@H]1C[NH2+]CC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000757218285 586441704 /nfs/dbraw/zinc/44/17/04/586441704.db2.gz UWAUYBURBHRRMB-IVZWLZJFSA-N 1 0 212.293 0.296 10 0 BCAERO C[C@@H]1C[C@H]([C@H]2C[NH2+]C[C@H](C(=O)[O-])C2)CC[NH2+]1 ZINC000757232420 586443286 /nfs/dbraw/zinc/44/32/86/586443286.db2.gz IEEZBUASFRBRGY-GWOFURMSSA-N 1 0 226.320 0.685 10 0 BCAERO C[C@@H](n1nnc2c1nc[nH+]c2NN)C(F)(F)F ZINC000757565934 586461818 /nfs/dbraw/zinc/46/18/18/586461818.db2.gz COZDHCIRIDFFRU-GSVOUGTGSA-N 1 0 247.184 0.630 10 0 BCAERO C[C@@H]1C[C@@H]1n1nnc2c1nc[nH+]c2NN ZINC000757568846 586462096 /nfs/dbraw/zinc/46/20/96/586462096.db2.gz RKMGHDKFUZDLCL-UHNVWZDZSA-N 1 0 205.225 0.088 10 0 BCAERO COC(=O)c1ccc(NC[C@H](C)[NH3+])nc1 ZINC000107208485 588342528 /nfs/dbraw/zinc/34/25/28/588342528.db2.gz SAFCIJDGLYVSTM-ZETCQYMHSA-N 1 0 209.249 0.627 10 0 BCAERO CC(C)C(=O)N[C@H]1CCCN(CC[NH3+])C1 ZINC000108163708 588451655 /nfs/dbraw/zinc/45/16/55/588451655.db2.gz GABQHWKQLKOOMG-JTQLQIEISA-N 1 0 213.325 0.182 10 0 BCAERO Cc1cc(NC[C@@H]2CN(C)CCO2)nc(N)[nH+]1 ZINC000110489904 588674508 /nfs/dbraw/zinc/67/45/08/588674508.db2.gz NZIABAXFWKHADQ-SECBINFHSA-N 1 0 237.307 0.110 10 0 BCAERO Cc1ccnn1[C@H](C)C[C@](C)([NH3+])C(N)=O ZINC000203548565 589245969 /nfs/dbraw/zinc/24/59/69/589245969.db2.gz JWEQNKWABUQGTH-SCZZXKLOSA-N 1 0 210.281 0.345 10 0 BCAERO CCCNC(=S)N1CC[C@H]([NH+](C)C)C1 ZINC000122383073 589585001 /nfs/dbraw/zinc/58/50/01/589585001.db2.gz PTFACXOLGQBOJL-VIFPVBQESA-N 1 0 215.366 0.907 10 0 BCAERO CC[N@@H+]1CCC[C@H](NC(=O)c2noc(C)n2)C1 ZINC000122883157 589642676 /nfs/dbraw/zinc/64/26/76/589642676.db2.gz CYFIFXLCNHHHNA-VIFPVBQESA-N 1 0 238.291 0.592 10 0 BCAERO CC(C)[C@H]([NH3+])C(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000019504391 589940835 /nfs/dbraw/zinc/94/08/35/589940835.db2.gz AYMDNTIHMICLTC-GUBZILKMSA-N 1 0 214.309 0.606 10 0 BCAERO C[C@H]1COC[C@H](C)[NH+]1CCC1OCCO1 ZINC000124395999 589984350 /nfs/dbraw/zinc/98/43/50/589984350.db2.gz YWNNUTMTLDWTNP-UWVGGRQHSA-N 1 0 215.293 0.859 10 0 BCAERO COC[C@@H](C)C(=O)N(C)C1CC[NH2+]CC1 ZINC000125366148 590162826 /nfs/dbraw/zinc/16/28/26/590162826.db2.gz QNFWACOJISJPBY-SECBINFHSA-N 1 0 214.309 0.479 10 0 BCAERO C[C@H]([NH2+]CCC1OCCO1)[C@@H]1CCCO1 ZINC000126877294 590479443 /nfs/dbraw/zinc/47/94/43/590479443.db2.gz XNBPBRUZWKLQFX-UWVGGRQHSA-N 1 0 215.293 0.907 10 0 BCAERO C[C@@]1(C(=O)N[C@H]2CCOC2)CCCC[NH2+]1 ZINC000127542607 590703480 /nfs/dbraw/zinc/70/34/80/590703480.db2.gz UMMZRROTJSXHMK-ONGXEEELSA-N 1 0 212.293 0.424 10 0 BCAERO C[C@]1(C(=O)N[C@@H]2CCOC2)CCCC[NH2+]1 ZINC000127541900 590704030 /nfs/dbraw/zinc/70/40/30/590704030.db2.gz UMMZRROTJSXHMK-MWLCHTKSSA-N 1 0 212.293 0.424 10 0 BCAERO CSCCC(=O)N[C@H]1CCC[NH2+][C@@H]1C ZINC000129452049 591301569 /nfs/dbraw/zinc/30/15/69/591301569.db2.gz UUTZOLXQLPZSCI-BDAKNGLRSA-N 1 0 216.350 0.996 10 0 BCAERO C[C@@H]1OCC[C@@H]1NC(=O)[C@@H]([NH3+])c1ccccc1 ZINC000129486776 591312468 /nfs/dbraw/zinc/31/24/68/591312468.db2.gz SKWHLVDWJUOZHK-DLOVCJGASA-N 1 0 234.299 0.980 10 0 BCAERO C[C@H]1COC[C@H](C)N1C(=O)C[C@@H]1CC[NH2+]C1 ZINC000129654410 591347882 /nfs/dbraw/zinc/34/78/82/591347882.db2.gz OJLFZDOHVQIDDQ-DCAQKATOSA-N 1 0 226.320 0.622 10 0 BCAERO [NH3+][C@@H](CC(=O)NCC[C@@H]1CCCO1)C1CC1 ZINC000129811679 591410071 /nfs/dbraw/zinc/41/00/71/591410071.db2.gz PYCPQWPMKLOGOF-QWRGUYRKSA-N 1 0 226.320 0.799 10 0 BCAERO O=C(n1ccnc1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000129866704 591415135 /nfs/dbraw/zinc/41/51/35/591415135.db2.gz UVTGXGROIFHBPJ-SNVBAGLBSA-N 1 0 220.276 0.631 10 0 BCAERO CCNC(=S)N1C[C@@H](C)[C@@H]([NH+](C)C)C1 ZINC000130402498 591464353 /nfs/dbraw/zinc/46/43/53/591464353.db2.gz CPEATDYTDKURMC-BDAKNGLRSA-N 1 0 215.366 0.763 10 0 BCAERO COC(=O)c1ccc(N[C@@H](C)C[NH3+])nc1C ZINC000133915546 591868985 /nfs/dbraw/zinc/86/89/85/591868985.db2.gz IADIZNLREZKYHK-ZETCQYMHSA-N 1 0 223.276 0.936 10 0 BCAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)NOCC(F)(F)F ZINC000133909765 591869276 /nfs/dbraw/zinc/86/92/76/591869276.db2.gz XMNDROBGCADEQO-RNFRBKRXSA-N 1 0 240.225 0.972 10 0 BCAERO C[C@H]1OCC[C@@H]1NC(=O)[C@]1(C)CCC[NH2+]1 ZINC000134259231 591907659 /nfs/dbraw/zinc/90/76/59/591907659.db2.gz UJHVEFHFJCYVAR-YWVKMMECSA-N 1 0 212.293 0.422 10 0 BCAERO C[C@H]1OCC[C@@H]1NC(=O)[C@@H]1CCC[NH2+]C1 ZINC000134256800 591907702 /nfs/dbraw/zinc/90/77/02/591907702.db2.gz WRCQAXPJWKAOCP-BBBLOLIVSA-N 1 0 212.293 0.280 10 0 BCAERO C[C@H]1OCC[C@@H]1NC(=O)[C@@H]([NH3+])C(C)(C)C ZINC000134258792 591907819 /nfs/dbraw/zinc/90/78/19/591907819.db2.gz GEFLNVCIFIXSQR-HRDYMLBCSA-N 1 0 214.309 0.653 10 0 BCAERO CCc1cc(NC[C@H]2C[NH2+]CCO2)nc(C)n1 ZINC000134275152 591908960 /nfs/dbraw/zinc/90/89/60/591908960.db2.gz JSGSJQMOTZRKMP-LLVKDONJSA-N 1 0 236.319 0.748 10 0 BCAERO CCOC(=O)c1cnc(N[C@@H](C)C[NH3+])nc1C ZINC000134316049 591915823 /nfs/dbraw/zinc/91/58/23/591915823.db2.gz TXPJDXATDMNUAL-ZETCQYMHSA-N 1 0 238.291 0.721 10 0 BCAERO C[C@@H]1OCC[C@@H]1NC(=O)[C@H]1CCC[NH2+]C1 ZINC000134553939 591936324 /nfs/dbraw/zinc/93/63/24/591936324.db2.gz WRCQAXPJWKAOCP-GUBZILKMSA-N 1 0 212.293 0.280 10 0 BCAERO CN(C[C@H]1CC[N@H+](C)C1)c1ncc(C=O)cn1 ZINC000126325060 592723852 /nfs/dbraw/zinc/72/38/52/592723852.db2.gz QUNDKKWKXXVHMA-JTQLQIEISA-N 1 0 234.303 0.677 10 0 BCAERO C[C@H]1CN(C[C@@H](O)c2ccccc2)C[C@H]1[NH3+] ZINC000313559169 634483793 /nfs/dbraw/zinc/48/37/93/634483793.db2.gz NYXWZJDTZIXGLH-CYZMBNFOSA-N 1 0 220.316 0.999 10 0 BCAERO Cc1c[nH]nc1C(=O)N1CCC[C@H]1C[NH3+] ZINC000257735431 634486309 /nfs/dbraw/zinc/48/63/09/634486309.db2.gz VTVZMECJPRODCZ-QMMMGPOBSA-N 1 0 208.265 0.281 10 0 BCAERO [NH3+]CC[C@H]1CCN(c2ncnc3nc[nH]c32)C1 ZINC000125457100 634507032 /nfs/dbraw/zinc/50/70/32/634507032.db2.gz LGSXTXMJSNHQMY-QMMMGPOBSA-N 1 0 232.291 0.528 10 0 BCAERO COc1cc(C)nc(N2CC[C@H](CC[NH3+])C2)n1 ZINC000125468293 634510618 /nfs/dbraw/zinc/51/06/18/634510618.db2.gz BQYPIGSHZDPEDS-JTQLQIEISA-N 1 0 236.319 0.969 10 0 BCAERO C[C@@H](C[NH3+])CNc1cc(N(C)C)ncn1 ZINC000258764152 635197396 /nfs/dbraw/zinc/19/73/96/635197396.db2.gz YBPAJBVKPYBGKS-QMMMGPOBSA-N 1 0 209.297 0.549 10 0 BCAERO CC(=O)[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)NC2CC2)C1 ZINC000224871835 635396517 /nfs/dbraw/zinc/39/65/17/635396517.db2.gz BWIBZVZLUZQYDV-GXSJLCMTSA-N 1 0 238.331 0.955 10 0 BCAERO [NH3+]C1(CC(=O)NC[C@@H](O)C(F)(F)F)CCC1 ZINC000226321330 635431040 /nfs/dbraw/zinc/43/10/40/635431040.db2.gz WEUVHWNWARAMPZ-ZCFIWIBFSA-N 1 0 240.225 0.297 10 0 BCAERO CO[C@@H]1C[C@H]([NH2+]C[C@](C)(O)CO)C12CCC2 ZINC000308348761 631295329 /nfs/dbraw/zinc/29/53/29/631295329.db2.gz RVXOQWWAJZFDKT-AXFHLTTASA-N 1 0 229.320 0.277 10 0 BCAERO CC[C@H](CO)[NH2+]C[C@H]1CCC[C@@H](O)C1 ZINC000308569113 631430461 /nfs/dbraw/zinc/43/04/61/631430461.db2.gz JGKQGYAXNIZZTH-HBNTYKKESA-N 1 0 201.310 0.898 10 0 BCAERO Cc1cc(-c2nc([C@@H](C)C[NH3+])no2)n(C)n1 ZINC000085165866 631457415 /nfs/dbraw/zinc/45/74/15/631457415.db2.gz DIZGZMUAWKWHSU-LURJTMIESA-N 1 0 221.264 0.841 10 0 BCAERO C[C@H]1COCC[N@@H+]1CCC1OCCCO1 ZINC000085705301 631463423 /nfs/dbraw/zinc/46/34/23/631463423.db2.gz ZOEAWCRXBGRLRN-JTQLQIEISA-N 1 0 215.293 0.860 10 0 BCAERO C([C@@H]1COCCO1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000086930857 631473252 /nfs/dbraw/zinc/47/32/52/631473252.db2.gz VZRUQCMYHFHODB-NWDGAFQWSA-N 1 0 226.320 0.182 10 0 BCAERO C[C@H]([NH3+])CN(C)c1ccc2nccnc2n1 ZINC000087202519 631479252 /nfs/dbraw/zinc/47/92/52/631479252.db2.gz RBSJRWVTCSTIKT-QMMMGPOBSA-N 1 0 217.276 0.808 10 0 BCAERO C[C@@H](NC(=O)[C@H]1CCCC[NH2+]1)[C@H]1CCCO1 ZINC000157992772 631487808 /nfs/dbraw/zinc/48/78/08/631487808.db2.gz YMRLWWAYHHKLHN-GMTAPVOTSA-N 1 0 226.320 0.812 10 0 BCAERO C[NH2+][C@@H](C)CNS(=O)(=O)c1ccc(C)cc1 ZINC000234435119 631523162 /nfs/dbraw/zinc/52/31/62/631523162.db2.gz QJYKQJQYVHRAOV-JTQLQIEISA-N 1 0 242.344 0.881 10 0 BCAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1cccn(C)c1=O ZINC000237008826 635689003 /nfs/dbraw/zinc/68/90/03/635689003.db2.gz PPHQMVCTMCKRCD-PSASIEDQSA-N 1 0 237.303 0.697 10 0 BCAERO OC[C@H]1CCC[N@@H+]1C[C@@H]1CCC[C@H](O)C1 ZINC000308815119 631656833 /nfs/dbraw/zinc/65/68/33/631656833.db2.gz AVLVWBPIGZBHSX-UTUOFQBUSA-N 1 0 213.321 0.994 10 0 BCAERO COc1ccc(C[NH2+]C(C)(C)CO)nn1 ZINC000308841570 631691498 /nfs/dbraw/zinc/69/14/98/631691498.db2.gz YZFJHTRSRGHIPG-UHFFFAOYSA-N 1 0 211.265 0.346 10 0 BCAERO COC(=O)C(C)(C)CC[NH2+][C@@H](C)[C@H](C)O ZINC000308935008 631747804 /nfs/dbraw/zinc/74/78/04/631747804.db2.gz KNUAMEVNVFTYRT-IUCAKERBSA-N 1 0 217.309 0.935 10 0 BCAERO C[N@@H+]1CC[C@@H]2CN(C(=O)C3CC3)C[C@H]2C1 ZINC000309003605 631797573 /nfs/dbraw/zinc/79/75/73/631797573.db2.gz SQOFCYOTGBQJBO-GHMZBOCLSA-N 1 0 208.305 0.807 10 0 BCAERO C[C@H]([NH2+]C[C@H]1CNC(=O)O1)c1cn[nH]c1 ZINC000309002271 631802825 /nfs/dbraw/zinc/80/28/25/631802825.db2.gz ONNLFIGAXMYXNK-XPUUQOCRSA-N 1 0 210.237 0.169 10 0 BCAERO CC[NH2+]CC(=O)N[C@H](C)[C@@H]1CCCO1 ZINC000044647190 631818766 /nfs/dbraw/zinc/81/87/66/631818766.db2.gz XNKVTLITFATOEW-BDAKNGLRSA-N 1 0 200.282 0.280 10 0 BCAERO CC[NH2+]CC(=O)N[C@@H](C)[C@H]1CCCO1 ZINC000044647192 631819680 /nfs/dbraw/zinc/81/96/80/631819680.db2.gz XNKVTLITFATOEW-DTWKUNHWSA-N 1 0 200.282 0.280 10 0 BCAERO Cc1cnn(C[C@@](C)([NH2+]C(C)C)C(N)=O)c1 ZINC000045436411 631837860 /nfs/dbraw/zinc/83/78/60/631837860.db2.gz PJDMJXDQQSOFGK-LLVKDONJSA-N 1 0 224.308 0.434 10 0 BCAERO CCOC(=O)[C@@H](C[NH3+])C[C@H]1CCOC1 ZINC000051691092 631866920 /nfs/dbraw/zinc/86/69/20/631866920.db2.gz FWFJRSKBVYGJHW-RKDXNWHRSA-N 1 0 201.266 0.551 10 0 BCAERO CC[C@@]1([NH2+]C[C@@H]2CNC(=O)O2)CCOC1 ZINC000309228812 631966552 /nfs/dbraw/zinc/96/65/52/631966552.db2.gz WJSKMGFPIRRWSG-WCBMZHEXSA-N 1 0 214.265 0.254 10 0 BCAERO CC[NH2+]CC(=O)N1[C@H](C)COC[C@@H]1C ZINC000308863385 631985218 /nfs/dbraw/zinc/98/52/18/631985218.db2.gz CQLNDCIVUKCWTM-DTORHVGOSA-N 1 0 200.282 0.232 10 0 BCAERO CCCCC[C@H](O)CC(=O)NC[C@H](C)[NH3+] ZINC000309393741 632023578 /nfs/dbraw/zinc/02/35/78/632023578.db2.gz GFXZYPOIFLQEGH-UWVGGRQHSA-N 1 0 216.325 0.781 10 0 BCAERO [NH3+]C1CC(CNC(=O)c2ccc3c(c2)OCO3)C1 ZINC000091524935 632050043 /nfs/dbraw/zinc/05/00/43/632050043.db2.gz IINPHMNGCBSWBL-UHFFFAOYSA-N 1 0 248.282 0.882 10 0 BCAERO COC(=O)CCNC(=[NH2+])NCC(C)C ZINC000052040491 632051976 /nfs/dbraw/zinc/05/19/76/632051976.db2.gz ZZJCMFBGQCAMLK-UHFFFAOYSA-N 1 0 201.270 0.319 10 0 BCAERO [NH3+][C@@H]1CC[C@H](C(=O)N2CCn3ccnc3C2)C1 ZINC000091545177 632069807 /nfs/dbraw/zinc/06/98/07/632069807.db2.gz NYLCBFZGSLFINQ-VHSXEESVSA-N 1 0 234.303 0.353 10 0 BCAERO [NH3+][C@@H]1CCCC[C@@H]1C(=O)N[C@H]1CCC[C@@H](O)C1 ZINC000251209590 635702857 /nfs/dbraw/zinc/70/28/57/635702857.db2.gz LDVQPGSNXUGRJA-WHOHXGKFSA-N 1 0 240.347 0.924 10 0 BCAERO CO[C@H](C)CC(=O)NC[C@@H]1CC[NH2+]C1 ZINC000308891072 632095935 /nfs/dbraw/zinc/09/59/35/632095935.db2.gz WUVCFHNITORLSG-RKDXNWHRSA-N 1 0 200.282 0.137 10 0 BCAERO [NH3+][C@H]1CCCN(C(=O)c2cnn3ccccc23)C1 ZINC000226020349 632398664 /nfs/dbraw/zinc/39/86/64/632398664.db2.gz ZUZIQDTWJOWRDF-JTQLQIEISA-N 1 0 244.298 0.898 10 0 BCAERO COC(C[NH2+][C@@H]1CCC(=O)NC1(C)C)OC ZINC000309488757 632418206 /nfs/dbraw/zinc/41/82/06/632418206.db2.gz WIVFRJFXXWLUIP-MRVPVSSYSA-N 1 0 230.308 0.252 10 0 BCAERO [NH3+][C@@H]1CC[C@@H](C(=O)NC[C@H](O)c2ccccc2)C1 ZINC000246046041 632419780 /nfs/dbraw/zinc/41/97/80/632419780.db2.gz BVUUARHXCGWOBW-UPJWGTAASA-N 1 0 248.326 0.964 10 0 BCAERO Cc1nnc2n1C[C@H]([NH2+][C@@H](C)CCO)CC2 ZINC000309503858 632433355 /nfs/dbraw/zinc/43/33/55/632433355.db2.gz BNCXDFLIUYRHCC-WCBMZHEXSA-N 1 0 224.308 0.262 10 0 BCAERO CN(C)c1noc(C2(C[NH3+])CCOCC2)n1 ZINC000161903655 632450355 /nfs/dbraw/zinc/45/03/55/632450355.db2.gz DXXTYTNTFZEERG-UHFFFAOYSA-N 1 0 226.280 0.143 10 0 BCAERO CC/C=C(\C)C(=O)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000309521702 632467657 /nfs/dbraw/zinc/46/76/57/632467657.db2.gz UGYKLUVXMCHGIR-GNKRQNHBSA-N 1 0 212.293 0.039 10 0 BCAERO O=C1NC[C@H](C[NH2+]C2(CO)CCCCC2)O1 ZINC000309559876 632494887 /nfs/dbraw/zinc/49/48/87/632494887.db2.gz IYYALWWIOXOUMT-SECBINFHSA-N 1 0 228.292 0.380 10 0 BCAERO CO[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CN(C)CCO1 ZINC000219547273 632511182 /nfs/dbraw/zinc/51/11/82/632511182.db2.gz NVMKNTJBKGCFDM-IJLUTSLNSA-N 1 0 228.336 0.474 10 0 BCAERO COC[C@@H](C)[NH2+]C[C@@H]1CC2(CC2)C(=O)O1 ZINC000308937414 632530262 /nfs/dbraw/zinc/53/02/62/632530262.db2.gz LFBVTHFKXQSZEX-BDAKNGLRSA-N 1 0 213.277 0.707 10 0 BCAERO Cn1cnc(C[NH2+][C@@H]2CCC[C@@H](O)C2)c1 ZINC000308947211 632566491 /nfs/dbraw/zinc/56/64/91/632566491.db2.gz WONYVFIOHRWGLA-MWLCHTKSSA-N 1 0 209.293 0.813 10 0 BCAERO C[NH2+]CCc1noc(CCCCOC)n1 ZINC000309636610 632597077 /nfs/dbraw/zinc/59/70/77/632597077.db2.gz MXBZWKSFCBUXDH-UHFFFAOYSA-N 1 0 213.281 0.801 10 0 BCAERO C[C@@H]1CC[C@H]1[NH2+]C1CCN(CCO)CC1 ZINC000309115504 632641629 /nfs/dbraw/zinc/64/16/29/632641629.db2.gz LJBIXSHJDYDDQH-ZYHUDNBSSA-N 1 0 212.337 0.831 10 0 BCAERO C[C@H]1CC[C@H]1[NH2+]C1CCN(CCO)CC1 ZINC000309115501 632642102 /nfs/dbraw/zinc/64/21/02/632642102.db2.gz LJBIXSHJDYDDQH-CMPLNLGQSA-N 1 0 212.337 0.831 10 0 BCAERO NC(=O)c1cc(N[C@@H]2CCC[C@H]2C[NH3+])ccn1 ZINC000089105911 632659527 /nfs/dbraw/zinc/65/95/27/632659527.db2.gz MQHGAAFRPXKCLI-WCBMZHEXSA-N 1 0 234.303 0.720 10 0 BCAERO CC(=O)CCC(=O)N1C[C@@H]2CC[N@@H+](C)C[C@H]2C1 ZINC000310297068 632716981 /nfs/dbraw/zinc/71/69/81/632716981.db2.gz ATSIKCWNEXNJMG-RYUDHWBXSA-N 1 0 238.331 0.766 10 0 BCAERO CCOC(=O)[C@H](C)NC(=O)CC[C@H]1CCC[NH2+]1 ZINC000310540971 632755053 /nfs/dbraw/zinc/75/50/53/632755053.db2.gz CEYZVWUOONSARL-VHSXEESVSA-N 1 0 242.319 0.586 10 0 BCAERO COC(=O)CCNC(=[NH2+])NC(C)(C)C ZINC000052040489 632779227 /nfs/dbraw/zinc/77/92/27/632779227.db2.gz CNTBDURCZUCFHS-UHFFFAOYSA-N 1 0 201.270 0.462 10 0 BCAERO Cc1ncn(C[C@H]([NH2+]C(C)C)C(N)=O)c1C ZINC000051928177 632765626 /nfs/dbraw/zinc/76/56/26/632765626.db2.gz SPBYEUNLDRRFHA-JTQLQIEISA-N 1 0 224.308 0.352 10 0 BCAERO CC[N@@H+]1CCC[C@H]1CN(C)[C@@H]1CCOC1=O ZINC000177701725 632864638 /nfs/dbraw/zinc/86/46/38/632864638.db2.gz UEKDPORPLYVGHL-WDEREUQCSA-N 1 0 226.320 0.718 10 0 BCAERO Cc1nonc1CN1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000309275817 632875548 /nfs/dbraw/zinc/87/55/48/632875548.db2.gz DSYPASMOSYZHSQ-AEJSXWLSSA-N 1 0 222.292 0.547 10 0 BCAERO OC1(C[NH2+]C/C=C/Cl)CCOCC1 ZINC000236487312 632948272 /nfs/dbraw/zinc/94/82/72/632948272.db2.gz ONUPSXLFUAYYHR-DAFODLJHSA-N 1 0 205.685 0.870 10 0 BCAERO CCN1C[C@@H](C)[C@@H]([NH2+]Cc2cncnc2)C1 ZINC000309451260 633085081 /nfs/dbraw/zinc/08/50/81/633085081.db2.gz LFMABRYEBNQHCY-PWSUYJOCSA-N 1 0 220.320 0.906 10 0 BCAERO Cc1cnc(-c2noc([C@H]3CC[NH2+]C3)n2)nc1 ZINC000167223534 633127023 /nfs/dbraw/zinc/12/70/23/633127023.db2.gz IRDYERSPKXEBMV-QMMMGPOBSA-N 1 0 231.259 0.912 10 0 BCAERO CN(C[C@H]1CCCO1)C(=O)[C@@H]([NH3+])C(C)(C)C ZINC000042465697 635912148 /nfs/dbraw/zinc/91/21/48/635912148.db2.gz QGTXHNICQINRCQ-NXEZZACHSA-N 1 0 228.336 0.997 10 0 BCAERO COC(=O)c1ccc(C[NH2+][C@H](C)[C@@H](C)O)o1 ZINC000309637351 633214576 /nfs/dbraw/zinc/21/45/76/633214576.db2.gz JTXKFODSJIOLJA-HTQZYQBOSA-N 1 0 227.260 0.925 10 0 BCAERO COC(=O)c1occc1C[NH2+][C@H](C)[C@@H](C)O ZINC000309665343 633221073 /nfs/dbraw/zinc/22/10/73/633221073.db2.gz SZSFKGWRULFWNN-HTQZYQBOSA-N 1 0 227.260 0.925 10 0 BCAERO CC[C@H](O)C[NH2+][C@@H]1CCN(C(C)=O)C[C@@H]1C ZINC000309722656 633231142 /nfs/dbraw/zinc/23/11/42/633231142.db2.gz WPDIOUIHXBFZMD-ZMLRMANQSA-N 1 0 228.336 0.604 10 0 BCAERO O[C@@H]1CCC[C@H]1[N@@H+]1CCC2(C1)OCCO2 ZINC000306620965 635971042 /nfs/dbraw/zinc/97/10/42/635971042.db2.gz VJDOYZINECEGMP-NXEZZACHSA-N 1 0 213.277 0.349 10 0 BCAERO C[C@H]([NH3+])CN(C)c1cn[nH]c(=O)c1Cl ZINC000307749446 635995431 /nfs/dbraw/zinc/99/54/31/635995431.db2.gz GRKBGABMHWQMOW-YFKPBYRVSA-N 1 0 216.672 0.207 10 0 BCAERO COC[C@@H]1CCN(C(=O)[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000081062214 636041036 /nfs/dbraw/zinc/04/10/36/636041036.db2.gz XBUHZQYPXKRMAL-UTUOFQBUSA-N 1 0 240.347 0.999 10 0 BCAERO CCOC(=O)CCC[NH2+]C(C)(C)CO ZINC000067486176 636139301 /nfs/dbraw/zinc/13/93/01/636139301.db2.gz OEYHNVUYMHILSB-UHFFFAOYSA-N 1 0 203.282 0.690 10 0 BCAERO CC(C)(C)[C@@H](O)C[NH2+]CCS(C)(=O)=O ZINC000308564161 633753755 /nfs/dbraw/zinc/75/37/55/633753755.db2.gz XOWMTITXKNQWCT-QMMMGPOBSA-N 1 0 223.338 0.028 10 0 BCAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]CCC1OCCO1 ZINC000309829986 633791301 /nfs/dbraw/zinc/79/13/01/633791301.db2.gz YIFSZKWBEXIXDF-IUCAKERBSA-N 1 0 228.292 0.006 10 0 BCAERO COC(=O)[C@@H]1C[N@H+](C[C@@H](C)CO)C[C@@H]1C ZINC000228200907 633899700 /nfs/dbraw/zinc/89/97/00/633899700.db2.gz ZUZNCZPTGWIKGK-KXUCPTDWSA-N 1 0 215.293 0.356 10 0 BCAERO CCCCC[C@@H](O)CC(=O)NC[C@H](C)[NH3+] ZINC000309393742 633907531 /nfs/dbraw/zinc/90/75/31/633907531.db2.gz GFXZYPOIFLQEGH-VHSXEESVSA-N 1 0 216.325 0.781 10 0 BCAERO CC/C=C(/C)C(=O)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000309521700 633943861 /nfs/dbraw/zinc/94/38/61/633943861.db2.gz UGYKLUVXMCHGIR-BBYBGLFNSA-N 1 0 212.293 0.039 10 0 BCAERO CC(C)OC(=O)CNC(=O)C[C@H]1CCC[NH2+]C1 ZINC000312255810 634006624 /nfs/dbraw/zinc/00/66/24/634006624.db2.gz OEAROVFZUHHJSV-SNVBAGLBSA-N 1 0 242.319 0.444 10 0 BCAERO C[C@H](NC(=O)CCC[NH3+])[C@@H]1CCCO1 ZINC000035734976 634078308 /nfs/dbraw/zinc/07/83/08/634078308.db2.gz AORALWPGACOBKX-IUCAKERBSA-N 1 0 200.282 0.409 10 0 BCAERO CCc1ccc(NC(=O)[C@@H]([NH3+])CO)cc1 ZINC000220317949 634261621 /nfs/dbraw/zinc/26/16/21/634261621.db2.gz SFDIMTCXRYTHRU-JTQLQIEISA-N 1 0 208.261 0.507 10 0 BCAERO Cn1ncc2c1ncnc2N1CCC[C@@H]1C[NH3+] ZINC000053663312 634292295 /nfs/dbraw/zinc/29/22/95/634292295.db2.gz FEKQRIABUXTUJM-MRVPVSSYSA-N 1 0 232.291 0.291 10 0 BCAERO COCCOCCOCC[NH2+][C@@H]1CCO[C@@H]1C ZINC000125709821 635134101 /nfs/dbraw/zinc/13/41/01/635134101.db2.gz QIJALDIEIHFILN-VXGBXAGGSA-N 1 0 247.335 0.433 10 0 BCAERO COC[C@@H](C)C(=O)NCC1=CC[NH2+]CC1 ZINC000186362246 635162375 /nfs/dbraw/zinc/16/23/75/635162375.db2.gz UVYHRLCBYKQCKL-SECBINFHSA-N 1 0 212.293 0.305 10 0 BCAERO CN(Cc1ccccn1)C(=O)C1CC([NH3+])C1 ZINC000258788783 635203610 /nfs/dbraw/zinc/20/36/10/635203610.db2.gz UMRAGNNQUBTNHZ-UHFFFAOYSA-N 1 0 219.288 0.777 10 0 BCAERO CC[C@H](CO)C(=O)N(C)C[C@H]1CC[N@H+](C)C1 ZINC000258832571 635209699 /nfs/dbraw/zinc/20/96/99/635209699.db2.gz SCZXVOUVYYCVJW-WDEREUQCSA-N 1 0 228.336 0.415 10 0 BCAERO CN(CC1CCCCC1)C(=O)[C@@H]([NH3+])CO ZINC000259058568 635235571 /nfs/dbraw/zinc/23/55/71/635235571.db2.gz WHAWOWBKNWSVKQ-JTQLQIEISA-N 1 0 214.309 0.345 10 0 BCAERO CC[C@@H](CO)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000259147785 635243713 /nfs/dbraw/zinc/24/37/13/635243713.db2.gz JCONOUVBKDXZGO-WDEREUQCSA-N 1 0 226.320 0.312 10 0 BCAERO CC[N@@H+]1CCC[C@@H](N2C(=O)[C@@H](C)NC2=S)C1 ZINC000060583679 635343121 /nfs/dbraw/zinc/34/31/21/635343121.db2.gz XIPXVUJZDGFQOG-RKDXNWHRSA-N 1 0 241.360 0.576 10 0 BCAERO C[NH2+][C@H](C)C(=O)NC[C@@H](O)c1ccccc1 ZINC000054072123 635346191 /nfs/dbraw/zinc/34/61/91/635346191.db2.gz XRVUOYRNECRSAG-MWLCHTKSSA-N 1 0 222.288 0.444 10 0 BCAERO COC[C@H](C)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000237231203 636066842 /nfs/dbraw/zinc/06/68/42/636066842.db2.gz WWDHXBCBQKMCEY-DTWKUNHWSA-N 1 0 200.282 0.219 10 0 BCAERO c1nc(-c2noc(C[C@@H]3CCC[NH2+]C3)n2)n[nH]1 ZINC000054301308 636348686 /nfs/dbraw/zinc/34/86/86/636348686.db2.gz GLDWNWZMCUDPCT-ZETCQYMHSA-N 1 0 234.263 0.397 10 0 BCAERO Cc1nnc(NCCN2CCC([NH3+])CC2)s1 ZINC000321395610 636641526 /nfs/dbraw/zinc/64/15/26/636641526.db2.gz RNGFKZLAGUKEJZ-UHFFFAOYSA-N 1 0 241.364 0.682 10 0 BCAERO C[C@@H]1[N@H+](Cc2ccccc2)CC[C@@]1(N)CC(N)=O ZINC000211633892 636710310 /nfs/dbraw/zinc/71/03/10/636710310.db2.gz YUUOWUSRZOHSIA-SMDDNHRTSA-N 1 0 247.342 0.854 10 0 BCAERO C[C@H]([NH2+]C(C)(C)CO)C(=O)NC1CC1 ZINC000035114331 636791369 /nfs/dbraw/zinc/79/13/69/636791369.db2.gz QSLIZUROWHOPEO-ZETCQYMHSA-N 1 0 200.282 0.014 10 0 BCAERO Cc1cnc(C)c(NCCN2CCC([NH3+])CC2)n1 ZINC000322277619 636828735 /nfs/dbraw/zinc/82/87/35/636828735.db2.gz XLMVEQAGBXQZLF-UHFFFAOYSA-N 1 0 249.362 0.928 10 0 BCAERO CC(C)[C@@H]([NH3+])C(=O)NC[C@@H]1CCCC[C@@H]1O ZINC000082994862 636870931 /nfs/dbraw/zinc/87/09/31/636870931.db2.gz ZKNKRTSVGSPHKM-GARJFASQSA-N 1 0 228.336 0.637 10 0 BCAERO CON1CCC([NH2+][C@@H]2CCO[C@@H]2C)CC1 ZINC000323138134 636903608 /nfs/dbraw/zinc/90/36/08/636903608.db2.gz WIVVDAOXFRXBQR-MWLCHTKSSA-N 1 0 214.309 0.779 10 0 BCAERO O=C([C@@H]1CC[NH2+]C1)N1CCC2(CCC2)C1 ZINC000237948819 636917426 /nfs/dbraw/zinc/91/74/26/636917426.db2.gz SSFAIMUBOAOIGR-SNVBAGLBSA-N 1 0 208.305 0.999 10 0 BCAERO C[C@H](C(=O)N1CCC[C@H]([NH3+])C1)n1cccn1 ZINC000041028336 636950216 /nfs/dbraw/zinc/95/02/16/636950216.db2.gz PBXFHIZWHKOFOW-ZJUUUORDSA-N 1 0 222.292 0.394 10 0 BCAERO C[C@@H](C(=O)N1CCC[C@H]([NH3+])C1)n1cccn1 ZINC000041028335 636950672 /nfs/dbraw/zinc/95/06/72/636950672.db2.gz PBXFHIZWHKOFOW-UWVGGRQHSA-N 1 0 222.292 0.394 10 0 BCAERO CCN1CCC[C@H]([NH2+]C2CCS(=O)CC2)C1 ZINC000042354113 637190329 /nfs/dbraw/zinc/19/03/29/637190329.db2.gz QIEYEAZOXVPVCK-BGMSHATGSA-N 1 0 244.404 0.971 10 0 BCAERO OCc1cc(N2CCC[C@@H]2CO)cc[nH+]1 ZINC000042433397 637243655 /nfs/dbraw/zinc/24/36/55/637243655.db2.gz SKVGNELVJSPRHW-LLVKDONJSA-N 1 0 208.261 0.535 10 0 BCAERO C[C@@H]1COCCN1C(=O)CCCCC[NH3+] ZINC000035776620 639922432 /nfs/dbraw/zinc/92/24/32/639922432.db2.gz KFSKLJDBUSNWBO-SNVBAGLBSA-N 1 0 214.309 0.753 10 0 BCAERO CO[C@@H]1C[NH2+][C@H](c2nc(C(C)C)nn2C)C1 ZINC000054697851 640306533 /nfs/dbraw/zinc/30/65/33/640306533.db2.gz CRJYDZXQWYBBME-IUCAKERBSA-N 1 0 224.308 0.988 10 0 BCAERO Cn1nc(C2CCCC2)nc1[C@H]([NH3+])CO ZINC000054699215 640321088 /nfs/dbraw/zinc/32/10/88/640321088.db2.gz SBJAJYNTWCCALB-MRVPVSSYSA-N 1 0 210.281 0.465 10 0 BCAERO [NH3+][C@H]1CCC[C@@H](C(=O)NC2CCOCC2)C1 ZINC000055087771 640431813 /nfs/dbraw/zinc/43/18/13/640431813.db2.gz LITCSUARSBEJJN-ZJUUUORDSA-N 1 0 226.320 0.799 10 0 BCAERO C[C@H](O)CCNC(=O)C[C@@H]([NH3+])C(C)(C)C ZINC000129554877 640431847 /nfs/dbraw/zinc/43/18/47/640431847.db2.gz VNYHCUYFQNGLRU-DTWKUNHWSA-N 1 0 216.325 0.637 10 0 BCAERO CC[NH+](CC)[C@@H](C)CNC(=O)CNC(=O)OC ZINC000055326896 640457124 /nfs/dbraw/zinc/45/71/24/640457124.db2.gz ISVASOIDWASBBA-VIFPVBQESA-N 1 0 245.323 0.189 10 0 BCAERO Cc1ccc(NC(=O)[C@@H]([NH3+])CO)cc1Cl ZINC000222388901 640483238 /nfs/dbraw/zinc/48/32/38/640483238.db2.gz WTSHIQQSSACTHD-VIFPVBQESA-N 1 0 228.679 0.907 10 0 BCAERO Cc1ccc(Cl)cc1NC(=O)[C@@H]([NH3+])CO ZINC000222388601 640484750 /nfs/dbraw/zinc/48/47/50/640484750.db2.gz HTWFIHGRWMJXFV-QMMMGPOBSA-N 1 0 228.679 0.907 10 0 BCAERO O=C(N[C@@H]1C[NH+]2CCC1CC2)[C@@H]1CCCO1 ZINC000222590930 640493440 /nfs/dbraw/zinc/49/34/40/640493440.db2.gz ADHXQIPYXZTTHH-MNOVXSKESA-N 1 0 224.304 0.376 10 0 BCAERO Cc1cc(C)n(C[C@H]([NH2+]C(C)C)C(N)=O)n1 ZINC000045433611 640556881 /nfs/dbraw/zinc/55/68/81/640556881.db2.gz LGZLZUNQMDQUQT-JTQLQIEISA-N 1 0 224.308 0.352 10 0 BCAERO C[NH2+][C@@](C)(CCCCn1ccnc1)C(N)=O ZINC000045431694 640557583 /nfs/dbraw/zinc/55/75/83/640557583.db2.gz STAVYHGKGLTSGE-NSHDSACASA-N 1 0 224.308 0.517 10 0 BCAERO C[C@]([NH3+])(Cn1cnc2ccccc21)C(N)=O ZINC000045434240 640557977 /nfs/dbraw/zinc/55/79/77/640557977.db2.gz AGUVOSPRCDPVLU-NSHDSACASA-N 1 0 218.260 0.239 10 0 BCAERO C[C@@]([NH3+])(CCCCn1cc(Cl)cn1)C(N)=O ZINC000045436577 640559211 /nfs/dbraw/zinc/55/92/11/640559211.db2.gz RJSCXEWQLLJYTM-SNVBAGLBSA-N 1 0 244.726 0.910 10 0 BCAERO C[NH2+][C@@](C)(Cn1nc(C)c(C)c1C)C(N)=O ZINC000045438092 640559510 /nfs/dbraw/zinc/55/95/10/640559510.db2.gz UPRXXCVCBVLIQC-NSHDSACASA-N 1 0 224.308 0.272 10 0 BCAERO Cc1nnc([C@H](C)N2CC[NH2+]CC2)n1C ZINC000051658864 640593789 /nfs/dbraw/zinc/59/37/89/640593789.db2.gz NNLGJOKPZAUGRQ-QMMMGPOBSA-N 1 0 209.297 0.090 10 0 BCAERO CCCOc1ccnc(N(C)C2C[NH2+]C2)n1 ZINC000166559160 640649040 /nfs/dbraw/zinc/64/90/40/640649040.db2.gz BNHUNKZOVOCECR-UHFFFAOYSA-N 1 0 222.292 0.673 10 0 BCAERO COCC[C@H]([NH3+])C(=O)N[C@@H](C)C(C)C ZINC000052791262 640651171 /nfs/dbraw/zinc/65/11/71/640651171.db2.gz GSBRKLFYCZTNJE-IUCAKERBSA-N 1 0 202.298 0.511 10 0 BCAERO C[NH2+]CCc1noc(CC[C@H](C)OC)n1 ZINC000166805344 640678949 /nfs/dbraw/zinc/67/89/49/640678949.db2.gz RZUWJKVVRFELRB-QMMMGPOBSA-N 1 0 213.281 0.799 10 0 BCAERO CCc1nc(C[C@H]2CCC[NH2+]C2)n(C)n1 ZINC000054696835 640710183 /nfs/dbraw/zinc/71/01/83/640710183.db2.gz LZSOLWNZQGUMAD-SECBINFHSA-N 1 0 208.309 0.920 10 0 BCAERO CN(C)S(=O)(=O)C[C@H]([NH3+])c1ccccc1 ZINC000075417011 640712416 /nfs/dbraw/zinc/71/24/16/640712416.db2.gz FNTDKWXUYVRIGJ-JTQLQIEISA-N 1 0 228.317 0.578 10 0 BCAERO O=C1NC[C@H](C[N@H+]2CCC[C@@H](CCO)C2)O1 ZINC000226000064 640721572 /nfs/dbraw/zinc/72/15/72/640721572.db2.gz JZZCDSJLZGMKMP-VHSXEESVSA-N 1 0 228.292 0.189 10 0 BCAERO CC(C)OC[C@H](O)CN1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000226127194 640733064 /nfs/dbraw/zinc/73/30/64/640733064.db2.gz OZVLKFKHSRFXJY-GRYCIOLGSA-N 1 0 230.352 0.455 10 0 BCAERO C[NH2+][C@@H]1CCCN(C[C@@H](O)COC(C)C)C1 ZINC000226127015 640733766 /nfs/dbraw/zinc/73/37/66/640733766.db2.gz JPFLFFDEZLKNCR-VXGBXAGGSA-N 1 0 230.352 0.456 10 0 BCAERO Cc1cnn(CCNC(=[NH2+])NC(C)C)c1 ZINC000226757851 640792191 /nfs/dbraw/zinc/79/21/91/640792191.db2.gz ZEBHZFKIPBXEID-UHFFFAOYSA-N 1 0 209.297 0.714 10 0 BCAERO O=C1NC[C@H](C[N@H+]2CCCCC[C@@H]2CO)O1 ZINC000226952371 640807602 /nfs/dbraw/zinc/80/76/02/640807602.db2.gz FIKRLRKPCGIQSL-NXEZZACHSA-N 1 0 228.292 0.332 10 0 BCAERO C[C@@]1(C(=O)N[C@H]2CCC[C@@H](O)C2)CCC[NH2+]1 ZINC000227079066 640813119 /nfs/dbraw/zinc/81/31/19/640813119.db2.gz QCGOZPIZZIYOPI-UMNHJUIQSA-N 1 0 226.320 0.548 10 0 BCAERO C[C@@]1(C(=O)N[C@@H]2CCC[C@@H](O)C2)CCC[NH2+]1 ZINC000227079054 640813184 /nfs/dbraw/zinc/81/31/84/640813184.db2.gz QCGOZPIZZIYOPI-FOGDFJRCSA-N 1 0 226.320 0.548 10 0 BCAERO COC[C@@H]1CCN(C(=O)[C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000227071917 640813417 /nfs/dbraw/zinc/81/34/17/640813417.db2.gz XBUHZQYPXKRMAL-GRYCIOLGSA-N 1 0 240.347 0.999 10 0 BCAERO CC(C)C[C@H](O)CNC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000227430200 640833902 /nfs/dbraw/zinc/83/39/02/640833902.db2.gz VOKOAUYULGEIDJ-GRYCIOLGSA-N 1 0 242.363 0.885 10 0 BCAERO O[C@H](CN1CC[N@@H+]2CCC[C@@H]2C1)C1CC1 ZINC000227475338 640835296 /nfs/dbraw/zinc/83/52/96/640835296.db2.gz QSZHYSKDHJIFST-VXGBXAGGSA-N 1 0 210.321 0.537 10 0 BCAERO [NH3+][C@@H]1CC[C@H](CNc2ncnc3nc[nH]c32)C1 ZINC000227651434 640844169 /nfs/dbraw/zinc/84/41/69/640844169.db2.gz PUBDZDLPCXPTAS-JGVFFNPUSA-N 1 0 232.291 0.892 10 0 BCAERO CCCCOC[C@@H](O)CN1CCC[NH2+]CC1 ZINC000227882977 640852673 /nfs/dbraw/zinc/85/26/73/640852673.db2.gz RXOZMCCJNJQQKN-LBPRGKRZSA-N 1 0 230.352 0.459 10 0 BCAERO CCCCOC[C@@H](O)CN1CC[NH2+]CC1(C)C ZINC000227910773 640853424 /nfs/dbraw/zinc/85/34/24/640853424.db2.gz AXQKMBLFEUXILP-LBPRGKRZSA-N 1 0 244.379 0.848 10 0 BCAERO CCCCOC[C@@H](O)CN(C)[C@@H]1CC[NH2+]C1 ZINC000227910444 640853906 /nfs/dbraw/zinc/85/39/06/640853906.db2.gz YATWVJUVUFETMU-NEPJUHHUSA-N 1 0 230.352 0.458 10 0 BCAERO [NH3+][C@H](CC(=O)NC[C@H]1CCC[C@@H]1O)C1CC1 ZINC000228539507 640880374 /nfs/dbraw/zinc/88/03/74/640880374.db2.gz LECBYMZFFLEZDV-MXWKQRLJSA-N 1 0 226.320 0.391 10 0 BCAERO COC(=O)[C@@H]1C[N@H+](C[C@@H]2CCC(=O)N2)C[C@@H]1C ZINC000228695921 640890502 /nfs/dbraw/zinc/89/05/02/640890502.db2.gz ZUYKZSOIUQXESQ-LPEHRKFASA-N 1 0 240.303 0.006 10 0 BCAERO COC[C@H]([NH3+])C(=O)NCC(C)(C)SC ZINC000229109738 640925329 /nfs/dbraw/zinc/92/53/29/640925329.db2.gz BLPXEITZWAWZFB-ZETCQYMHSA-N 1 0 220.338 0.218 10 0 BCAERO CCc1nc(CN2CCC[NH2+]CC2)n(C)n1 ZINC000061145979 640928951 /nfs/dbraw/zinc/92/89/51/640928951.db2.gz RZOKLBKUCMIORM-UHFFFAOYSA-N 1 0 223.324 0.173 10 0 BCAERO COC(=O)[C@@H]1C[NH2+]C[C@H]1c1ccc(C)cn1 ZINC000229203550 640931202 /nfs/dbraw/zinc/93/12/02/640931202.db2.gz JILUKWYCBDTFSS-NXEZZACHSA-N 1 0 220.272 0.866 10 0 BCAERO COC(=O)[C@H]1C[NH2+]C[C@@H]1c1ccc(C)cn1 ZINC000229203534 640931285 /nfs/dbraw/zinc/93/12/85/640931285.db2.gz JILUKWYCBDTFSS-UWVGGRQHSA-N 1 0 220.272 0.866 10 0 BCAERO CCOC(=O)[C@H]1C[NH2+]C[C@H]1c1ccncc1 ZINC000229218266 640934639 /nfs/dbraw/zinc/93/46/39/640934639.db2.gz QDQIULLTYKXGKG-QWRGUYRKSA-N 1 0 220.272 0.948 10 0 BCAERO C[C@H](C(=O)NC[C@@H]1CC[NH2+]C1)n1cccn1 ZINC000087654778 640957685 /nfs/dbraw/zinc/95/76/85/640957685.db2.gz XTVMDJXJLPGBOF-NXEZZACHSA-N 1 0 222.292 0.170 10 0 BCAERO CC(C)[N@H+](C)C[C@@H](O)CN1C[C@H](C)C[C@@H](O)C1 ZINC000401599190 640966723 /nfs/dbraw/zinc/96/67/23/640966723.db2.gz YGQZMLCAPAZOAJ-JHJVBQTASA-N 1 0 244.379 0.390 10 0 BCAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)c1ccc[nH]c1=O ZINC000229583624 640968076 /nfs/dbraw/zinc/96/80/76/640968076.db2.gz GEFXHLDNIPORMH-WCBMZHEXSA-N 1 0 235.287 0.658 10 0 BCAERO COC1CC([NH2+]C[C@H]2COC(C)(C)O2)C1 ZINC000230213655 641038286 /nfs/dbraw/zinc/03/82/86/641038286.db2.gz LEFTZMCJDDAZKN-RTBKNWGFSA-N 1 0 215.293 0.905 10 0 BCAERO COC[C@H](C)[NH2+]C[C@@H]1COC(C)(C)O1 ZINC000230210785 641039005 /nfs/dbraw/zinc/03/90/05/641039005.db2.gz VWLKLRQGVCWAER-DTWKUNHWSA-N 1 0 203.282 0.762 10 0 BCAERO [NH3+][C@@H]1CCC[C@@H](C(=O)N2CCn3ccnc3C2)C1 ZINC000062331091 641040071 /nfs/dbraw/zinc/04/00/71/641040071.db2.gz QNGJXLYRFMCTNZ-GHMZBOCLSA-N 1 0 248.330 0.743 10 0 BCAERO CCOC(=O)[C@H]([NH3+])CCn1cnc(C)c1C ZINC000062538709 641056336 /nfs/dbraw/zinc/05/63/36/641056336.db2.gz KAUZASOZXYALKP-SNVBAGLBSA-N 1 0 225.292 0.780 10 0 BCAERO CC[NH2+][C@@H](CCn1ccnc1C)C(N)=O ZINC000062535071 641057877 /nfs/dbraw/zinc/05/78/77/641057877.db2.gz UCQGSJAPTIJKHA-VIFPVBQESA-N 1 0 210.281 0.045 10 0 BCAERO C[NH2+][C@H](CCn1nc(C)c(Cl)c1C)C(N)=O ZINC000062538269 641059420 /nfs/dbraw/zinc/05/94/20/641059420.db2.gz MJPVVDZAHCJOBD-MRVPVSSYSA-N 1 0 244.726 0.617 10 0 BCAERO CC[NH2+][C@@H](CCn1cc(Cl)cn1)C(N)=O ZINC000062536116 641059501 /nfs/dbraw/zinc/05/95/01/641059501.db2.gz GGKNSAGRQHQDJQ-QMMMGPOBSA-N 1 0 230.699 0.390 10 0 BCAERO CC[NH2+][C@@H](CCn1cc(C)cn1)C(N)=O ZINC000062535946 641059651 /nfs/dbraw/zinc/05/96/51/641059651.db2.gz BNARWLIAJASLRB-VIFPVBQESA-N 1 0 210.281 0.045 10 0 BCAERO CCOC(=O)[C@H]([NH3+])CCn1cc(Cl)cn1 ZINC000062536209 641059684 /nfs/dbraw/zinc/05/96/84/641059684.db2.gz ZCNOWUQPBCBTNX-MRVPVSSYSA-N 1 0 231.683 0.817 10 0 BCAERO CC[C@H](C)NC(=O)[C@@H](C)OC1C[NH2+]C1 ZINC000062809782 641092970 /nfs/dbraw/zinc/09/29/70/641092970.db2.gz HOHBQNQPHBQNCP-JGVFFNPUSA-N 1 0 200.282 0.278 10 0 BCAERO CCCCNC(=O)[C@@H](C)OC1C[NH2+]C1 ZINC000062809787 641094104 /nfs/dbraw/zinc/09/41/04/641094104.db2.gz ZOFMWJJBFPSECS-MRVPVSSYSA-N 1 0 200.282 0.280 10 0 BCAERO CCC[C@](C)([NH3+])C(=O)N[C@H](C(N)=O)C(C)C ZINC000231046400 641130734 /nfs/dbraw/zinc/13/07/34/641130734.db2.gz YVXLDNAVFVRUDA-KWQFWETISA-N 1 0 229.324 0.130 10 0 BCAERO COC(C)(C)CC[NH2+]CC1(O)CCOCC1 ZINC000231026142 641133731 /nfs/dbraw/zinc/13/37/31/641133731.db2.gz RVIFQPOAFUPHCH-UHFFFAOYSA-N 1 0 231.336 0.933 10 0 BCAERO C[C@H](O)[C@H](C)[NH2+]C[C@@H](O)CC(F)(F)F ZINC000307935259 641195289 /nfs/dbraw/zinc/19/52/89/641195289.db2.gz DPDTVFIKEKPMPN-ACZMJKKPSA-N 1 0 215.215 0.659 10 0 BCAERO C[NH2+][C@H](C)C(=O)NCCSC(F)(F)F ZINC000231946134 641219020 /nfs/dbraw/zinc/21/90/20/641219020.db2.gz YLUHTJBWQQVTRP-RXMQYKEDSA-N 1 0 230.255 0.964 10 0 BCAERO COC[C@H]([NH3+])C(=O)N[C@@H](C)C1CCCC1 ZINC000088004499 641223111 /nfs/dbraw/zinc/22/31/11/641223111.db2.gz SFYQEMJEZVHYBZ-WPRPVWTQSA-N 1 0 214.309 0.655 10 0 BCAERO COC[C@H]([NH3+])C(=O)N[C@@H](C)c1cccs1 ZINC000088002836 641222376 /nfs/dbraw/zinc/22/23/76/641222376.db2.gz HBWBNDQVZFRIIX-YUMQZZPRSA-N 1 0 228.317 0.899 10 0 BCAERO COC[C@@H]([NH3+])C(=O)Nc1cccc(F)c1F ZINC000088003444 641222988 /nfs/dbraw/zinc/22/29/88/641222988.db2.gz FZXOEAFHSMDRMT-SSDOTTSWSA-N 1 0 230.214 0.877 10 0 BCAERO COC[C@H]([NH3+])C(=O)NC[C@@]1(C)CCCS1 ZINC000088005106 641223630 /nfs/dbraw/zinc/22/36/30/641223630.db2.gz DTIZVMIHEXKWNI-WCBMZHEXSA-N 1 0 232.349 0.362 10 0 BCAERO CCOC(C[NH2+]C(C)(C)CO)OCC ZINC000088008291 641231312 /nfs/dbraw/zinc/23/13/12/641231312.db2.gz OPWFFUOSVONIGU-UHFFFAOYSA-N 1 0 205.298 0.746 10 0 BCAERO CO[C@@H](c1noc(C[C@@H](C[NH3+])OC)n1)C1CC1 ZINC000232132691 641245555 /nfs/dbraw/zinc/24/55/55/641245555.db2.gz ADINYVAPHQNJDR-WCBMZHEXSA-N 1 0 241.291 0.683 10 0 BCAERO CO[C@H](C[NH3+])CC(=O)N[C@@H](C)C(C)C ZINC000232111836 641246230 /nfs/dbraw/zinc/24/62/30/641246230.db2.gz NWVYEGIWZAREMO-IUCAKERBSA-N 1 0 202.298 0.511 10 0 BCAERO O=C(C[C@H]1CCC[NH2+]C1)NCc1ccon1 ZINC000088052807 641281589 /nfs/dbraw/zinc/28/15/89/641281589.db2.gz YSIDFBDHZNUXAL-SECBINFHSA-N 1 0 223.276 0.681 10 0 BCAERO [NH3+]C[C@H]1CCC[C@@H]1C(=O)NCc1ccon1 ZINC000088053049 641283714 /nfs/dbraw/zinc/28/37/14/641283714.db2.gz PQXBEQDHDKUXBE-SCZZXKLOSA-N 1 0 223.276 0.666 10 0 BCAERO Cc1cccc([C@H](C)[NH2+]C[C@H](O)CO)c1 ZINC000088162296 641318665 /nfs/dbraw/zinc/31/86/65/641318665.db2.gz PYXVXADTOCZHPB-JQWIXIFHSA-N 1 0 209.289 0.999 10 0 BCAERO CCCCOC[C@H](O)CN1CC[NH2+]CC1 ZINC000039594587 641404100 /nfs/dbraw/zinc/40/41/00/641404100.db2.gz UCWYNLLXVJPSGI-LLVKDONJSA-N 1 0 216.325 0.069 10 0 BCAERO Cn1ncc2c1ncnc2N[C@H]1CCC[C@H]1C[NH3+] ZINC000089092141 641426791 /nfs/dbraw/zinc/42/67/91/641426791.db2.gz LGWIEUUHYDHDEL-WPRPVWTQSA-N 1 0 246.318 0.903 10 0 BCAERO C[NH2+][C@@H](C)CNC(=O)Cc1c[nH]c2ncccc12 ZINC000261750762 641471849 /nfs/dbraw/zinc/47/18/49/641471849.db2.gz NKAFTIXVIRLURG-VIFPVBQESA-N 1 0 246.314 0.830 10 0 BCAERO C[N@@H+]1CCC[C@H](CNC(=O)n2ccnc2)C1 ZINC000044538488 641605314 /nfs/dbraw/zinc/60/53/14/641605314.db2.gz JWUIVFZBSSHSEX-SNVBAGLBSA-N 1 0 222.292 0.783 10 0 BCAERO C[C@@H](NC(=O)C(C)(C)C[NH3+])[C@@H]1CCCO1 ZINC000044751673 641607076 /nfs/dbraw/zinc/60/70/76/641607076.db2.gz RPTQUXGXHDRTAE-BDAKNGLRSA-N 1 0 214.309 0.655 10 0 BCAERO COC(=O)[C@](C)([NH3+])CCCn1cc(C)cn1 ZINC000045436091 641612328 /nfs/dbraw/zinc/61/23/28/641612328.db2.gz VKTZUKKKTYCJOL-LLVKDONJSA-N 1 0 225.292 0.862 10 0 BCAERO Cc1cnn(CCCC[C@@](C)([NH3+])C(N)=O)c1 ZINC000045436056 641613590 /nfs/dbraw/zinc/61/35/90/641613590.db2.gz CGWVCHXWFVXQEY-LLVKDONJSA-N 1 0 224.308 0.565 10 0 BCAERO CC(C)OCCNC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000159139601 641667487 /nfs/dbraw/zinc/66/74/87/641667487.db2.gz AFJVCIIXPTTZDP-NXEZZACHSA-N 1 0 214.309 0.383 10 0 BCAERO O=C(N[C@@H]1C[NH2+]CC[C@@H]1CO)c1ccccc1 ZINC000075876419 641776876 /nfs/dbraw/zinc/77/68/76/641776876.db2.gz LWHNAVLKHZEGLB-VXGBXAGGSA-N 1 0 234.299 0.387 10 0 BCAERO CC(C)(C)[C@@H](O)CNC(=O)[C@H]([NH3+])CC1CC1 ZINC000324381340 641789708 /nfs/dbraw/zinc/78/97/08/641789708.db2.gz WNCVLVZAOFBBKP-ZJUUUORDSA-N 1 0 228.336 0.637 10 0 BCAERO C([C@H]1CCCO1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000238025451 641832745 /nfs/dbraw/zinc/83/27/45/641832745.db2.gz VUWXEWUOKBEPGT-GRYCIOLGSA-N 1 0 210.321 0.992 10 0 BCAERO C[C@@H]1C[N@H+](CC[C@@H]2CCOC2=O)C[C@H]1CO ZINC000190907167 641894687 /nfs/dbraw/zinc/89/46/87/641894687.db2.gz ZBDPAMDOKSRZLP-MXWKQRLJSA-N 1 0 227.304 0.500 10 0 BCAERO [NH3+]CCCOCCNc1ncnc2[nH]ccc21 ZINC000630537370 641950629 /nfs/dbraw/zinc/95/06/29/641950629.db2.gz NAEBLOSJETTWQA-UHFFFAOYSA-N 1 0 235.291 0.735 10 0 BCAERO C[C@@H](C(=O)N1CCCCC1)N1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000235325085 642438899 /nfs/dbraw/zinc/43/88/99/642438899.db2.gz GCORCHIUZXBUQI-WOPDTQHZSA-N 1 0 239.363 0.666 10 0 BCAERO CCc1nc2n(n1)C[C@H]([NH2+]C[C@@H](C)O)CC2 ZINC000390652645 642502586 /nfs/dbraw/zinc/50/25/86/642502586.db2.gz PPVFCIZSONUCHO-RKDXNWHRSA-N 1 0 224.308 0.126 10 0 BCAERO c1cnc(N2CCC[C@@]23CC[NH2+]C3)nc1 ZINC000257706254 642510043 /nfs/dbraw/zinc/51/00/43/642510043.db2.gz MMTCRJDTOTWACW-NSHDSACASA-N 1 0 204.277 0.809 10 0 BCAERO C[C@@H]1CN(c2cc(=O)[nH]cn2)C[C@H]1[NH+](C)C ZINC000253627616 642672212 /nfs/dbraw/zinc/67/22/12/642672212.db2.gz GKWSHNCXPSPHSF-RKDXNWHRSA-N 1 0 222.292 0.569 10 0 BCAERO CCOC(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(CC)c1 ZINC000233698256 642692920 /nfs/dbraw/zinc/69/29/20/642692920.db2.gz FFVKZERFZMXMFT-MNOVXSKESA-N 1 0 237.303 0.769 10 0 BCAERO Cn1cnn(CN2CC[C@H]([NH+](C)C)C2)c1=S ZINC000170842891 642695943 /nfs/dbraw/zinc/69/59/43/642695943.db2.gz RSBZOXRJRCTHAX-VIFPVBQESA-N 1 0 241.364 0.544 10 0 BCAERO CC(C)N(C)S(=O)(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170873528 642772269 /nfs/dbraw/zinc/77/22/69/642772269.db2.gz SCQLQUINCVXVPN-JTQLQIEISA-N 1 0 249.380 0.207 10 0 BCAERO C[N@H+](C[C@H](O)C1CC1)C[C@@H]1CC[NH+](C)C1 ZINC000068909576 642808734 /nfs/dbraw/zinc/80/87/34/642808734.db2.gz ZNXHHDJUJQJXMS-PWSUYJOCSA-N 1 0 212.337 0.641 10 0 BCAERO C[C@@H]1C[N@H+](C[C@@H](O)C2CC2)C[C@H]1N(C)C ZINC000251870177 642883706 /nfs/dbraw/zinc/88/37/06/642883706.db2.gz TYNZDRIFAGIQAV-YUSALJHKSA-N 1 0 212.337 0.639 10 0 BCAERO CC(C)OC[C@@H](O)CN1CCC[C@H]([NH3+])C1 ZINC000069660924 642892802 /nfs/dbraw/zinc/89/28/02/642892802.db2.gz PEPOOVZWMYRASV-QWRGUYRKSA-N 1 0 216.325 0.195 10 0 BCAERO C[C@H]([NH3+])CCC(=O)N[C@@H](C)[C@@H]1CCCO1 ZINC000069839181 642921094 /nfs/dbraw/zinc/92/10/94/642921094.db2.gz NOKLZSRSKYSFGO-GUBZILKMSA-N 1 0 214.309 0.798 10 0 BCAERO C[NH2+][C@H](C)C(=O)N[C@H]1COc2ccccc21 ZINC000070069114 642965825 /nfs/dbraw/zinc/96/58/25/642965825.db2.gz QWHJXJCBAZYVAN-SCZZXKLOSA-N 1 0 220.272 0.844 10 0 BCAERO CC(C)OC[C@@H](O)CN1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000070559220 643042811 /nfs/dbraw/zinc/04/28/11/643042811.db2.gz OZVLKFKHSRFXJY-TUAOUCFPSA-N 1 0 230.352 0.455 10 0 BCAERO CCOC(=O)[C@@H](C)NC(=O)[C@@]1(C)CCC[NH2+]1 ZINC000070619151 643047856 /nfs/dbraw/zinc/04/78/56/643047856.db2.gz AQWVHCOUARHABD-LDYMZIIASA-N 1 0 228.292 0.196 10 0 BCAERO CCC[NH2+][C@@H](CCn1ccc(C)n1)C(N)=O ZINC000070686536 643059104 /nfs/dbraw/zinc/05/91/04/643059104.db2.gz ZZQHKCADJYOCOU-JTQLQIEISA-N 1 0 224.308 0.435 10 0 BCAERO CCOC(=O)[C@@](C)([NH3+])CCn1ccc(C)n1 ZINC000070686637 643059362 /nfs/dbraw/zinc/05/93/62/643059362.db2.gz OTKYOJMMUPERSU-NSHDSACASA-N 1 0 225.292 0.862 10 0 BCAERO CCOC(=O)[C@@](C)([NH3+])CCn1nccc1C ZINC000070687084 643060955 /nfs/dbraw/zinc/06/09/55/643060955.db2.gz AWPBISOKGDFXSN-NSHDSACASA-N 1 0 225.292 0.862 10 0 BCAERO [NH3+]C[C@H]1CCC[C@H]1NS(=O)(=O)C1CC1 ZINC000070907003 643082366 /nfs/dbraw/zinc/08/23/66/643082366.db2.gz FTMUCNRWCNSGPQ-VXNVDRBHSA-N 1 0 218.322 0.196 10 0 BCAERO CCCS(=O)(=O)CC[NH2+][C@H](C)[C@H]1CCCO1 ZINC000183135981 643091023 /nfs/dbraw/zinc/09/10/23/643091023.db2.gz IVRRIRQLAKUFIO-GHMZBOCLSA-N 1 0 249.376 0.968 10 0 BCAERO CCOc1cncc(N2CC[C@H](C[NH2+]C)C2)n1 ZINC000071176222 643101958 /nfs/dbraw/zinc/10/19/58/643101958.db2.gz WSRSQSIMRMLLKU-SNVBAGLBSA-N 1 0 236.319 0.921 10 0 BCAERO CCN(c1cc(C)nc2ncnn21)[C@H]1CC[NH2+]C1 ZINC000071314283 643124232 /nfs/dbraw/zinc/12/42/32/643124232.db2.gz DJEUXMYGGNWGPW-JTQLQIEISA-N 1 0 246.318 0.621 10 0 BCAERO CCN(c1ccnc(C(N)=O)c1)[C@H]1CC[NH2+]C1 ZINC000071314301 643125879 /nfs/dbraw/zinc/12/58/79/643125879.db2.gz OFBICIAZRHVDSM-JTQLQIEISA-N 1 0 234.303 0.369 10 0 BCAERO C1CCC2(CC1)[NH2+]C[C@@]1(COCCN1)CO2 ZINC000757144221 643315521 /nfs/dbraw/zinc/31/55/21/643315521.db2.gz NHFIUMPWJMTREZ-LLVKDONJSA-N 1 0 226.320 0.625 10 0 BCAERO CC[C@H]([NH3+])CS(=O)(=O)N1CCCC1 ZINC000757149663 643336579 /nfs/dbraw/zinc/33/65/79/643336579.db2.gz DGVMKJBBYZBZEX-QMMMGPOBSA-N 1 0 206.311 0.149 10 0 BCAERO CCCN(C)S(=O)(=O)C[C@@H]([NH3+])C1CC1 ZINC000757149371 643336871 /nfs/dbraw/zinc/33/68/71/643336871.db2.gz BVJCFFOICRNCLA-SECBINFHSA-N 1 0 220.338 0.395 10 0 BCAERO CSc1cc(N2CC[C@@H]2C[NH3+])ncn1 ZINC000757152275 643343391 /nfs/dbraw/zinc/34/33/91/643343391.db2.gz ZYSRDNFRAGRJEW-SSDOTTSWSA-N 1 0 210.306 0.736 10 0 BCAERO COC[C@@H]1CCOC2(CC[NH+](C)CC2)N1 ZINC000757151994 643343692 /nfs/dbraw/zinc/34/36/92/643343692.db2.gz UNVODLZUTYFOKT-JTQLQIEISA-N 1 0 214.309 0.433 10 0 BCAERO CN(C)S(=O)(=O)C[C@H]([NH3+])C1CCCC1 ZINC000757152035 643343766 /nfs/dbraw/zinc/34/37/66/643343766.db2.gz QRHAOIXKRVVSIM-VIFPVBQESA-N 1 0 220.338 0.395 10 0 BCAERO CC[C@@H](C)[C@@H]([NH3+])CS(=O)(=O)N(C)C ZINC000757154093 643345748 /nfs/dbraw/zinc/34/57/48/643345748.db2.gz VQROWBKSAKSXMJ-SFYZADRCSA-N 1 0 208.327 0.251 10 0 BCAERO C[C@@]([NH3+])(CC(N)=O)[C@@H]1CCCSC1 ZINC000757154131 643346344 /nfs/dbraw/zinc/34/63/44/643346344.db2.gz CQXKJFCVGNBOGM-VXNVDRBHSA-N 1 0 202.323 0.722 10 0 BCAERO C[C@@H](C[NH3+])NS(=O)(=O)/C=C/c1ccccc1 ZINC000082578272 643346995 /nfs/dbraw/zinc/34/69/95/643346995.db2.gz JRCUJGPMESVEMB-JARNTUPDSA-N 1 0 240.328 0.924 10 0 BCAERO CC[C@H](C(N)=O)[N@@H+]1CCC[C@H](C(C)=O)C1 ZINC000082644558 643359145 /nfs/dbraw/zinc/35/91/45/643359145.db2.gz NEOBCIVKXZSWGX-VHSXEESVSA-N 1 0 212.293 0.551 10 0 BCAERO CCOC(=O)C1([C@]2(O)CC[NH2+]C2)CCOCC1 ZINC000757183485 643359200 /nfs/dbraw/zinc/35/92/00/643359200.db2.gz PCAXCKFGXZFION-LBPRGKRZSA-N 1 0 243.303 0.071 10 0 BCAERO CC[NH+]1CCC2(C[NH2+]C[C@H]2C(=O)[O-])CC1 ZINC000757183658 643359534 /nfs/dbraw/zinc/35/95/34/643359534.db2.gz DXXQCVPVCKNGRH-VIFPVBQESA-N 1 0 212.293 0.393 10 0 BCAERO [NH3+][C@H]1C[NH2+]C[C@H](c2ccc(C(=O)[O-])cc2)C1 ZINC000757236380 643372982 /nfs/dbraw/zinc/37/29/82/643372982.db2.gz OKRPGFGEJDVGNH-GHMZBOCLSA-N 1 0 220.272 0.789 10 0 BCAERO [NH3+][C@@H]1C[NH2+]C[C@H](c2ccc(C(=O)[O-])cc2)C1 ZINC000757236386 643373853 /nfs/dbraw/zinc/37/38/53/643373853.db2.gz OKRPGFGEJDVGNH-MNOVXSKESA-N 1 0 220.272 0.789 10 0 BCAERO C[NH2+][C@](C)(C[C@@H](C)n1ccnc1C)C(N)=O ZINC000082800226 643382930 /nfs/dbraw/zinc/38/29/30/643382930.db2.gz YCTJIUDWRCLFBC-LDYMZIIASA-N 1 0 224.308 0.606 10 0 BCAERO C[NH2+][C@@](C)(C[C@@H](C)n1ccc(C)n1)C(N)=O ZINC000082800592 643382980 /nfs/dbraw/zinc/38/29/80/643382980.db2.gz DSFDMMKIGXYZPH-KOLCDFICSA-N 1 0 224.308 0.606 10 0 BCAERO C[C@@H]([NH3+])CN(C)c1ccnc(N(C)C)n1 ZINC000082924646 643388787 /nfs/dbraw/zinc/38/87/87/643388787.db2.gz WTMNALBMTQQWHX-MRVPVSSYSA-N 1 0 209.297 0.326 10 0 BCAERO [NH3+]CCC(=O)NC[C@H]1CCCC[C@H]1O ZINC000082995147 643397621 /nfs/dbraw/zinc/39/76/21/643397621.db2.gz ZHHPYPTZNWPHHV-RKDXNWHRSA-N 1 0 200.282 0.003 10 0 BCAERO C[NH2+]CCC(=O)NC[C@@H]1CCCC[C@H]1O ZINC000082995287 643397179 /nfs/dbraw/zinc/39/71/79/643397179.db2.gz XLMPSIALTZNFME-VHSXEESVSA-N 1 0 214.309 0.263 10 0 BCAERO C[C@@]1(C(=O)N[C@@H]2CCCOC2)CC[NH2+]C1 ZINC000071023499 643410902 /nfs/dbraw/zinc/41/09/02/643410902.db2.gz JLZFDVPENBJRIJ-MWLCHTKSSA-N 1 0 212.293 0.281 10 0 BCAERO CC(C)(C)[C@H]([NH3+])C(=O)N[C@@H]1CCCOC1 ZINC000071023427 643411407 /nfs/dbraw/zinc/41/14/07/643411407.db2.gz YVLPLXKZUAZISE-RKDXNWHRSA-N 1 0 214.309 0.655 10 0 BCAERO C[NH2+][C@](Cn1cc(Cl)cn1)(C(N)=O)C1CC1 ZINC000068943220 643432186 /nfs/dbraw/zinc/43/21/86/643432186.db2.gz KGRYQQVDTPPXQY-JTQLQIEISA-N 1 0 242.710 0.390 10 0 BCAERO CCc1nccn1C[C@]([NH3+])(C(N)=O)C1CC1 ZINC000068943267 643433753 /nfs/dbraw/zinc/43/37/53/643433753.db2.gz QFMOUOTUECQUSB-LLVKDONJSA-N 1 0 222.292 0.038 10 0 BCAERO CCCc1nccn1CC[C@H]([NH2+]C)C(N)=O ZINC000069964564 643452233 /nfs/dbraw/zinc/45/22/33/643452233.db2.gz QRZXCGLMLLUOSP-VIFPVBQESA-N 1 0 224.308 0.299 10 0 BCAERO Cc1c(Cl)cnn1C[C@@H]([NH2+]C1CC1)C(N)=O ZINC000070704437 643466352 /nfs/dbraw/zinc/46/63/52/643466352.db2.gz LMBMMQWOJXAOPK-SECBINFHSA-N 1 0 242.710 0.451 10 0 BCAERO COC(=O)/C(C)=C/C[NH2+]C(C)(C)CO ZINC000234505729 643502615 /nfs/dbraw/zinc/50/26/15/643502615.db2.gz KYAJCIFDNBVOJL-VMPITWQZSA-N 1 0 201.266 0.466 10 0 BCAERO C[NH2+][C@@](C)(C[C@@H](C)n1cc(Cl)cn1)C(N)=O ZINC000082800528 643524938 /nfs/dbraw/zinc/52/49/38/643524938.db2.gz OSUZIZCYBVGTBJ-XCBNKYQSSA-N 1 0 244.726 0.951 10 0 BCAERO CCc1nccn1[C@@H](C)C[C@](C)([NH3+])C(N)=O ZINC000082800563 643525779 /nfs/dbraw/zinc/52/57/79/643525779.db2.gz QLQCGWJPLUNQGY-KWQFWETISA-N 1 0 224.308 0.599 10 0 BCAERO C[NH2+][C@](C)(C[C@@H](C)n1cc(Cl)cn1)C(N)=O ZINC000082800530 643526137 /nfs/dbraw/zinc/52/61/37/643526137.db2.gz OSUZIZCYBVGTBJ-GMSGAONNSA-N 1 0 244.726 0.951 10 0 BCAERO CC[NH2+][C@@](C)(C[C@H](C)n1cccn1)C(N)=O ZINC000082800437 643526169 /nfs/dbraw/zinc/52/61/69/643526169.db2.gz BKHWMLXLGUGGBB-ONGXEEELSA-N 1 0 224.308 0.688 10 0 BCAERO Cc1ccnc(NC[C@@H]2COCC[NH2+]2)n1 ZINC000235936056 643547659 /nfs/dbraw/zinc/54/76/59/643547659.db2.gz OZPRVHGXDJIUML-SECBINFHSA-N 1 0 208.265 0.185 10 0 BCAERO CCc1nccn1C[C@H]([NH2+]C1CC1)C(N)=O ZINC000045460244 643555862 /nfs/dbraw/zinc/55/58/62/643555862.db2.gz ZTPKZMNKYUIZFZ-VIFPVBQESA-N 1 0 222.292 0.051 10 0 BCAERO [NH3+]C1CC(CNC(=O)C[C@H]2CCCO2)C1 ZINC000084447128 643557394 /nfs/dbraw/zinc/55/73/94/643557394.db2.gz FFZWMBOIMFQUEP-UDNWOFFPSA-N 1 0 212.293 0.409 10 0 BCAERO CCOC(=O)[C@]1([NH3+])CC[C@@H](n2ccnc2)C1 ZINC000086626616 643636743 /nfs/dbraw/zinc/63/67/43/643636743.db2.gz QWSPGTLLRSYGDJ-KOLCDFICSA-N 1 0 223.276 0.869 10 0 BCAERO CCOC(=O)[C@@]1([NH3+])CC[C@H](n2cncn2)C1 ZINC000086626879 643637141 /nfs/dbraw/zinc/63/71/41/643637141.db2.gz DJUZCUFLBQFYLZ-WCBMZHEXSA-N 1 0 224.264 0.264 10 0 BCAERO COC(=O)/C(C)=C/CN1CC[C@H]([NH+](C)C)C1 ZINC000084003011 643640739 /nfs/dbraw/zinc/64/07/39/643640739.db2.gz JWOREPWMSMDURB-UAWPZABVSA-N 1 0 226.320 0.742 10 0 BCAERO CC(C)[NH2+]Cc1ccc(S(N)(=O)=O)nc1 ZINC000084175825 643647758 /nfs/dbraw/zinc/64/77/58/643647758.db2.gz SMMSJJLEUAORBW-UHFFFAOYSA-N 1 0 229.305 0.227 10 0 BCAERO C[C@H](O)CCNC(=O)[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000084302550 643654901 /nfs/dbraw/zinc/65/49/01/643654901.db2.gz WOFIGRHGXQCZBW-HBNTYKKESA-N 1 0 228.336 0.639 10 0 BCAERO OC[C@H](O)C[NH2+][C@@H]1CCc2c1cccc2O ZINC000085246249 643697306 /nfs/dbraw/zinc/69/73/06/643697306.db2.gz SLQNWIGISGWPDD-LDYMZIIASA-N 1 0 223.272 0.322 10 0 BCAERO O=C1NCCC[C@H]1[NH2+]C[C@@H]1CCC=CO1 ZINC000050395429 643697981 /nfs/dbraw/zinc/69/79/81/643697981.db2.gz QNLBCCHYGZZYGH-VHSXEESVSA-N 1 0 210.277 0.547 10 0 BCAERO CCOc1cc(N(C)CC[NH2+]C)nc(C)n1 ZINC000085484093 643755055 /nfs/dbraw/zinc/75/50/55/643755055.db2.gz RGOQNTAWSGCRKR-UHFFFAOYSA-N 1 0 224.308 0.839 10 0 BCAERO CCCc1noc(C[C@H]2C[NH2+]CCO2)n1 ZINC000085617348 643763119 /nfs/dbraw/zinc/76/31/19/643763119.db2.gz NSCXTELYYWRISH-QMMMGPOBSA-N 1 0 211.265 0.553 10 0 BCAERO CN(C)[C@H]1CC[N@H+](CCC2OCCCO2)C1 ZINC000085705678 643775952 /nfs/dbraw/zinc/77/59/52/643775952.db2.gz ZSNSZZLESFTUQY-NSHDSACASA-N 1 0 228.336 0.775 10 0 BCAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)[C@@H]1CCCCO1 ZINC000085727319 643790119 /nfs/dbraw/zinc/79/01/19/643790119.db2.gz KBORUTJTWBWZGO-AXFHLTTASA-N 1 0 226.320 0.812 10 0 BCAERO C[C@H]1[NH2+]CCC[C@H]1NS(=O)(=O)N1CCCC1 ZINC000085727468 643790210 /nfs/dbraw/zinc/79/02/10/643790210.db2.gz MSSXDFBMNWKMMG-NXEZZACHSA-N 1 0 247.364 0.057 10 0 BCAERO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)[C@@H]1CCCO1 ZINC000085727160 643792101 /nfs/dbraw/zinc/79/21/01/643792101.db2.gz HFIBIUOBSHKXQE-UTLUCORTSA-N 1 0 212.293 0.422 10 0 BCAERO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)N1CCOCC1 ZINC000085963030 643865684 /nfs/dbraw/zinc/86/56/84/643865684.db2.gz SPKJXNCSRVEGMN-ZJUUUORDSA-N 1 0 227.308 0.156 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)N1CCOCC1 ZINC000085963031 643866224 /nfs/dbraw/zinc/86/62/24/643866224.db2.gz SPKJXNCSRVEGMN-UWVGGRQHSA-N 1 0 227.308 0.156 10 0 BCAERO C[C@H]1CN([C@@H]2CCC[NH2+]C2)S(=O)(=O)C1 ZINC000086549863 644147446 /nfs/dbraw/zinc/14/74/46/644147446.db2.gz OJRGKMWOTNYAOZ-DTWKUNHWSA-N 1 0 218.322 0.020 10 0 BCAERO NC(=O)[C@@]1([NH3+])CCC[C@@H]1CCn1cccn1 ZINC000086547942 644148432 /nfs/dbraw/zinc/14/84/32/644148432.db2.gz GSKMXBAUPJYDRL-MWLCHTKSSA-N 1 0 222.292 0.256 10 0 BCAERO NC(=O)[C@]1([NH3+])CCC[C@@H]1CCn1ccnc1 ZINC000086547936 644148869 /nfs/dbraw/zinc/14/88/69/644148869.db2.gz DAUUCBGDDDJHMM-KOLCDFICSA-N 1 0 222.292 0.256 10 0 BCAERO Cc1nccn1[C@@H]1CCC[C@@]([NH3+])(C(N)=O)C1 ZINC000086604655 644154810 /nfs/dbraw/zinc/15/48/10/644154810.db2.gz SXOBAOBNFRRTPN-KOLCDFICSA-N 1 0 222.292 0.489 10 0 BCAERO COC(=O)[C@]1([NH3+])CCC[C@H](n2cncn2)C1 ZINC000086604689 644154836 /nfs/dbraw/zinc/15/48/36/644154836.db2.gz DIKBJVJOYDEQFE-WPRPVWTQSA-N 1 0 224.264 0.264 10 0 BCAERO C[NH2+][C@@]1(C(N)=O)CC[C@@H](n2ccc(C)n2)C1 ZINC000086627204 644158385 /nfs/dbraw/zinc/15/83/85/644158385.db2.gz GPWVEVLRHRUHBT-KOLCDFICSA-N 1 0 222.292 0.360 10 0 BCAERO c1ccc2c(c1)C[C@H](CN[C@H]1CC[NH2+]C1)O2 ZINC000086728895 644170332 /nfs/dbraw/zinc/17/03/32/644170332.db2.gz NVMZPDKQCOIPER-NWDGAFQWSA-N 1 0 218.300 0.942 10 0 BCAERO Cc1cc(=O)[nH]cc1C(=O)N[C@H]1CCC[NH2+][C@@H]1C ZINC000193530737 644251036 /nfs/dbraw/zinc/25/10/36/644251036.db2.gz CDVQGXZZVIWTOC-KOLCDFICSA-N 1 0 249.314 0.554 10 0 BCAERO COC(=O)N[C@@H](CC(C)C)C(=O)NC[C@H](C)[NH3+] ZINC000194917151 644353090 /nfs/dbraw/zinc/35/30/90/644353090.db2.gz UFUDPPAZDKRZMI-IUCAKERBSA-N 1 0 245.323 0.221 10 0 BCAERO CC(C)(C)C(=O)NCC(=O)N1CCC[C@H]([NH3+])C1 ZINC000195113144 644363668 /nfs/dbraw/zinc/36/36/68/644363668.db2.gz MSTGVJNPOAORDZ-VIFPVBQESA-N 1 0 241.335 0.098 10 0 BCAERO COCCCNC(=O)[C@H]1CCCC[C@@H]1C[NH3+] ZINC000084301583 644424162 /nfs/dbraw/zinc/42/41/62/644424162.db2.gz ADDTWBQSPYWECR-MNOVXSKESA-N 1 0 228.336 0.904 10 0 BCAERO C[C@@H](NC(=O)C[C@H]1CSCC[NH2+]1)C1CC1 ZINC000085613177 644443131 /nfs/dbraw/zinc/44/31/31/644443131.db2.gz BTNJBRSFTZHWGF-SCZZXKLOSA-N 1 0 228.361 0.996 10 0 BCAERO C[C@@H]1COCCN1C(=O)C[C@H]1CSCC[NH2+]1 ZINC000085613212 644443736 /nfs/dbraw/zinc/44/37/36/644443736.db2.gz PUALMCJHTWORCU-ZJUUUORDSA-N 1 0 244.360 0.329 10 0 BCAERO O=C(NC[C@@H]1CCCC[C@@H]1O)[C@@H]1CCC[NH2+]C1 ZINC000085985874 644453922 /nfs/dbraw/zinc/45/39/22/644453922.db2.gz SUZZQWMJOGGSSC-TUAOUCFPSA-N 1 0 240.347 0.653 10 0 BCAERO C[NH2+]C[C@H](C)C(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000086064634 644455915 /nfs/dbraw/zinc/45/59/15/644455915.db2.gz ROQXBYBDYKXCRM-IVZWLZJFSA-N 1 0 214.309 0.478 10 0 BCAERO C[NH2+]C[C@H](C)C(=O)N(C)C[C@H]1CCCO1 ZINC000086068082 644456058 /nfs/dbraw/zinc/45/60/58/644456058.db2.gz MUVDJERFFTZDRG-VHSXEESVSA-N 1 0 214.309 0.479 10 0 BCAERO O[C@H](CN[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000086726303 644469367 /nfs/dbraw/zinc/46/93/67/644469367.db2.gz VETSREPHZUJCRF-VXGBXAGGSA-N 1 0 206.289 0.672 10 0 BCAERO CCCc1noc(C[C@H]2COCC[NH2+]2)n1 ZINC000087506929 644497697 /nfs/dbraw/zinc/49/76/97/644497697.db2.gz QKCIWTGGFIWLIJ-QMMMGPOBSA-N 1 0 211.265 0.553 10 0 BCAERO c1nnn([C@H]2CC[NH2+]C2)c1-c1cnccn1 ZINC000685951884 644518584 /nfs/dbraw/zinc/51/85/84/644518584.db2.gz KSVQGCMEOJGLCW-QMMMGPOBSA-N 1 0 216.248 0.270 10 0 BCAERO OC[C@H](O)C[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000088318277 644518666 /nfs/dbraw/zinc/51/86/66/644518666.db2.gz CORQDPHUQMEECM-RVTXZMPXSA-N 1 0 225.332 0.754 10 0 BCAERO CCc1cc(C(=O)NCC2CC([NH3+])C2)n(C)n1 ZINC000090128054 644580970 /nfs/dbraw/zinc/58/09/70/644580970.db2.gz QRVKGKAHUSFFSP-UHFFFAOYSA-N 1 0 236.319 0.450 10 0 BCAERO CO[C@H](C)CC(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000246701046 644602758 /nfs/dbraw/zinc/60/27/58/644602758.db2.gz WGTFJPJNDCCNOQ-KXUCPTDWSA-N 1 0 214.309 0.655 10 0 BCAERO CCOC[C@H](O)C[N@@H+]1C[C@H](C)[C@H](C(=O)OC)C1 ZINC000095015422 644736745 /nfs/dbraw/zinc/73/67/45/644736745.db2.gz VSRXGIXQPLDDQC-HBNTYKKESA-N 1 0 245.319 0.125 10 0 BCAERO CCOC(=O)[C@H](C)N1C[C@H](C)[C@H](C(=O)OC)C1 ZINC000094996933 644737203 /nfs/dbraw/zinc/73/72/03/644737203.db2.gz GVDNWVHBWVZBOI-LPEHRKFASA-N 1 0 243.303 0.679 10 0 BCAERO COC(=O)[C@H]1C[N@H+](CCn2ccnc2)C[C@H]1C ZINC000095019951 644740011 /nfs/dbraw/zinc/74/00/11/644740011.db2.gz HXPGENWCLDDYAT-MNOVXSKESA-N 1 0 237.303 0.624 10 0 BCAERO [NH3+][C@@H]1CC[C@H](C(=O)NC[C@H]2CCC[C@@H]2O)C1 ZINC000250678820 644776846 /nfs/dbraw/zinc/77/68/46/644776846.db2.gz XKTXFBUJORBQOB-ZDCRXTMVSA-N 1 0 226.320 0.391 10 0 BCAERO CC(=O)[C@@H]1CCC[N@@H+]([C@H](C)C(=O)N(C)C)C1 ZINC000251072626 644791753 /nfs/dbraw/zinc/79/17/53/644791753.db2.gz YYHPCZOEADTBQI-MWLCHTKSSA-N 1 0 226.320 0.764 10 0 BCAERO C[C@H](C1CC1)n1nnc2c1nc[nH+]c2NN ZINC000757564206 644840259 /nfs/dbraw/zinc/84/02/59/644840259.db2.gz CCCSKIOMVXQGCV-RXMQYKEDSA-N 1 0 219.252 0.478 10 0 BCAERO CC[C@@H]1CN(CCC(C)=O)CC[N@@H+]1C[C@H](C)O ZINC000252352896 644847790 /nfs/dbraw/zinc/84/77/90/644847790.db2.gz OGEMJOCZPIUCHO-QWHCGFSZSA-N 1 0 242.363 0.743 10 0 BCAERO CCn1cc([C@H]2CC[NH2+][C@@H](CN)C2)cn1 ZINC000757242791 644865207 /nfs/dbraw/zinc/86/52/07/644865207.db2.gz YWXXZIQFXJINRD-GXSJLCMTSA-N 1 0 208.309 0.697 10 0 BCAERO C[C@H](NC(=O)[C@H]([NH3+])CC1CC1)[C@H]1CCCO1 ZINC000304297057 644887856 /nfs/dbraw/zinc/88/78/56/644887856.db2.gz ALBUBWSOUCJUML-JMJZKYOTSA-N 1 0 226.320 0.798 10 0 BCAERO C[C@H]1CCN(c2nccn3cnnc23)C[C@H]1C[NH3+] ZINC000253194289 644942785 /nfs/dbraw/zinc/94/27/85/644942785.db2.gz PTJZREKLTRBJGT-VHSXEESVSA-N 1 0 246.318 0.545 10 0 BCAERO O=C(NC[C@@H]1CC[NH2+]C1)c1cncc(F)c1 ZINC000134016314 645870701 /nfs/dbraw/zinc/87/07/01/645870701.db2.gz LXPGUGIQLPEUPJ-MRVPVSSYSA-N 1 0 223.251 0.560 10 0 BCAERO CC[C@H](CO)[N@@H+]1CCC[C@@H](NC(C)=O)C1 ZINC000929288151 646062958 /nfs/dbraw/zinc/06/29/58/646062958.db2.gz ZDQLWRDWKVVWKI-GHMZBOCLSA-N 1 0 214.309 0.358 10 0 BCAERO CCS(=O)(=O)CC[N@@H+]1CCC[C@H]1CCCO ZINC000052762476 711637273 /nfs/dbraw/zinc/63/72/73/711637273.db2.gz BDSJDRSYPZEVBW-NSHDSACASA-N 1 0 249.376 0.658 10 0 BCAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]CCO[C@@H]1CCOC1 ZINC000724987116 711640858 /nfs/dbraw/zinc/64/08/58/711640858.db2.gz PWZLKITYVJSTER-HBNTYKKESA-N 1 0 242.319 0.049 10 0 BCAERO C[C@H]([NH2+]C(C)(C)CO)C(=O)NCC(F)(F)F ZINC000135786365 711661546 /nfs/dbraw/zinc/66/15/46/711661546.db2.gz ZIGUSSZGAXNQJT-LURJTMIESA-N 1 0 242.241 0.414 10 0 BCAERO [NH3+]C1CC(CNC(=O)COCC(F)(F)F)C1 ZINC000232351245 711760552 /nfs/dbraw/zinc/76/05/52/711760552.db2.gz QCPRDYZHVGWDHR-UHFFFAOYSA-N 1 0 240.225 0.419 10 0 BCAERO O[C@@H]1C[NH2+]C[C@H]1CNc1cncc(Cl)n1 ZINC000702831015 712061410 /nfs/dbraw/zinc/06/14/10/712061410.db2.gz LXLGEHWQGAYHFA-NKWVEPMBSA-N 1 0 228.683 0.122 10 0 BCAERO CCC(O)(CC)C[N@H+](C)C[C@@H]1CNC(=O)O1 ZINC000706418129 712145935 /nfs/dbraw/zinc/14/59/35/712145935.db2.gz DBEUARVVGZPBTR-VIFPVBQESA-N 1 0 230.308 0.578 10 0 BCAERO COC(=O)CCCN(C)C(=O)C1CC([NH3+])C1 ZINC000707275350 712166950 /nfs/dbraw/zinc/16/69/50/712166950.db2.gz DOIJTIZBLXMDBL-UHFFFAOYSA-N 1 0 228.292 0.135 10 0 BCAERO C[C@@H]1COC[C@H](C)N1C(=O)[C@H]([NH3+])CC1CC1 ZINC000708379517 712191864 /nfs/dbraw/zinc/19/18/64/712191864.db2.gz QEODHXVOVFLHIR-WCABBAIRSA-N 1 0 226.320 0.750 10 0 BCAERO COC(=O)N1C[C@@H](OC)C[C@]1(C)C[NH3+] ZINC000708999641 712205145 /nfs/dbraw/zinc/20/51/45/712205145.db2.gz RPJXLBLOUUYRNO-IONNQARKSA-N 1 0 202.254 0.191 10 0 BCAERO C[C@H](C[N@@H+]1CCC[C@@](O)(C(N)=O)C1)C(C)(C)C ZINC000710747914 712255401 /nfs/dbraw/zinc/25/54/01/712255401.db2.gz SRZYFKSIUONQRD-MFKMUULPSA-N 1 0 242.363 0.981 10 0 BCAERO CCN1CCO[C@H](C[NH2+][C@H]2COC[C@@H]2C)C1 ZINC000710853332 712259693 /nfs/dbraw/zinc/25/96/93/712259693.db2.gz TYQJDAWXHAIMID-TUAOUCFPSA-N 1 0 228.336 0.332 10 0 BCAERO C[NH2+][C@H](C)C(=O)N[C@@H](C1CCC1)[C@@H]1CCOC1 ZINC000711854019 712336635 /nfs/dbraw/zinc/33/66/35/712336635.db2.gz CQHSIMXYTXZQCN-JLLWLGSASA-N 1 0 240.347 0.916 10 0 BCAERO CCCCOC[C@H](O)CN1CC[NH2+][C@@H](C)[C@@H]1C ZINC000379475146 712385487 /nfs/dbraw/zinc/38/54/87/712385487.db2.gz ZEBXRKYFKMXIOG-RWMBFGLXSA-N 1 0 244.379 0.846 10 0 BCAERO CC(C)[C@H]([NH3+])C(C)(C)C(=O)NCC[C@H](C)O ZINC000713003777 712451051 /nfs/dbraw/zinc/45/10/51/712451051.db2.gz NNKYBIPWLLSFIL-UWVGGRQHSA-N 1 0 230.352 0.883 10 0 BCAERO CC(C)[C@H]([NH3+])C(C)(C)C(=O)N[C@@H]1CCNC1=O ZINC000713005820 712451058 /nfs/dbraw/zinc/45/10/58/712451058.db2.gz XWVUGKABXUFVSS-BDAKNGLRSA-N 1 0 241.335 0.001 10 0 BCAERO CC(C)(C)[C@@H](O)CNC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000713432234 712459447 /nfs/dbraw/zinc/45/94/47/712459447.db2.gz VTLCVOJWZYTPGE-QYTUQVAYSA-N 1 0 240.347 0.637 10 0 BCAERO [NH3+]C[C@@H]1C[C@H](C(=O)N2CCCCCC2)CO1 ZINC000713828065 712472823 /nfs/dbraw/zinc/47/28/23/712472823.db2.gz ZOAAFUHVDCQRTM-QWRGUYRKSA-N 1 0 226.320 0.753 10 0 BCAERO CC(C)CCNC(=O)[C@@H]1CO[C@H](C[NH3+])C1 ZINC000713872258 712473249 /nfs/dbraw/zinc/47/32/49/712473249.db2.gz OLQSZPHWVKRPOZ-UWVGGRQHSA-N 1 0 214.309 0.513 10 0 BCAERO CC(C)CCCNC(=O)[C@@H]1CO[C@@H](C[NH3+])C1 ZINC000713872141 712473493 /nfs/dbraw/zinc/47/34/93/712473493.db2.gz MZJRMPBDJMKKSA-WDEREUQCSA-N 1 0 228.336 0.903 10 0 BCAERO COCC1CC(NC(=O)CC2CC[NH2+]CC2)C1 ZINC000713945390 712474055 /nfs/dbraw/zinc/47/40/55/712474055.db2.gz LEMCTRDYEDPCNJ-UHFFFAOYSA-N 1 0 240.347 0.917 10 0 BCAERO COCC1CC(NC(=O)[C@@H]2C[C@H](C)CC[NH2+]2)C1 ZINC000713945880 712474091 /nfs/dbraw/zinc/47/40/91/712474091.db2.gz OCZGLOJEJSWANW-YYJSSNLHSA-N 1 0 240.347 0.916 10 0 BCAERO COCC1CC(NC(=O)[C@@]2(C)CC[NH2+]C2)C1 ZINC000713935711 712474250 /nfs/dbraw/zinc/47/42/50/712474250.db2.gz OCFVKXFYIZFLNG-CBINBANVSA-N 1 0 226.320 0.527 10 0 BCAERO COCC1CC([NH2+]Cc2cn(C)cn2)C1 ZINC000713996211 712476931 /nfs/dbraw/zinc/47/69/31/712476931.db2.gz KSDKYFYKSQPXEQ-UHFFFAOYSA-N 1 0 209.293 0.935 10 0 BCAERO COCC1CC([NH2+]Cc2cnn(C)c2)C1 ZINC000713998532 712476973 /nfs/dbraw/zinc/47/69/73/712476973.db2.gz YGEYFZYLYYYQJS-UHFFFAOYSA-N 1 0 209.293 0.935 10 0 BCAERO COCC1CC([NH2+][C@H](C)C[C@@H]2COCCN2)C1 ZINC000713962542 712475167 /nfs/dbraw/zinc/47/51/67/712475167.db2.gz YSIPAXXAVMQKBK-IKWCTNDRSA-N 1 0 242.363 0.768 10 0 BCAERO CCn1ncnc1C[NH2+]C1CC(COC)C1 ZINC000713972973 712475720 /nfs/dbraw/zinc/47/57/20/712475720.db2.gz SBQOMTWFJJRLLD-UHFFFAOYSA-N 1 0 224.308 0.813 10 0 BCAERO [NH3+]C[C@@H]1[C@H](C(=O)NCC[C@@H]2CCCO2)C1(F)F ZINC000715073253 712506021 /nfs/dbraw/zinc/50/60/21/712506021.db2.gz ICFWGHMBCMGNRG-DJLDLDEBSA-N 1 0 248.273 0.512 10 0 BCAERO CCn1ccnc(NC[C@H]2C[C@H]([NH3+])C2)c1=O ZINC000715073664 712506040 /nfs/dbraw/zinc/50/60/40/712506040.db2.gz TWCLKEYFCIDXBI-KYZUINATSA-N 1 0 222.292 0.412 10 0 BCAERO Cc1nnc(NC[C@H]2C[C@H]([NH3+])C2)nc1C ZINC000715131409 712513916 /nfs/dbraw/zinc/51/39/16/712513916.db2.gz FQJQQTNSGPNIES-KYZUINATSA-N 1 0 207.281 0.638 10 0 BCAERO C[C@H]([NH2+][C@H]1CCC[C@H](O)C1)c1cn(C)nn1 ZINC000715907502 712541934 /nfs/dbraw/zinc/54/19/34/712541934.db2.gz HEVJEKYSSUGZGJ-GUBZILKMSA-N 1 0 224.308 0.769 10 0 BCAERO COCC1CC([NH2+]C2CC(S(C)(=O)=O)C2)C1 ZINC000716138235 712547811 /nfs/dbraw/zinc/54/78/11/712547811.db2.gz NMQSOFOHXJUZNT-UHFFFAOYSA-N 1 0 247.360 0.577 10 0 BCAERO COC[C@@H]([NH3+])C(=O)NCC[C@H]1CCCS1 ZINC000716054129 712548730 /nfs/dbraw/zinc/54/87/30/712548730.db2.gz NMOBKMBSJASYNJ-RKDXNWHRSA-N 1 0 232.349 0.362 10 0 BCAERO C[C@H]([NH2+]C1CC(S(C)(=O)=O)C1)C1CC1 ZINC000716137758 712552281 /nfs/dbraw/zinc/55/22/81/712552281.db2.gz LLDADAAJWQTLJY-WFRXLMHJSA-N 1 0 217.334 0.950 10 0 BCAERO CC(C)(O)C1CC[NH+](C[C@H]2CNC(=O)O2)CC1 ZINC000716412443 712559407 /nfs/dbraw/zinc/55/94/07/712559407.db2.gz ICNMRFVOHOLPIT-SNVBAGLBSA-N 1 0 242.319 0.578 10 0 BCAERO CCOC[C@@H](C)[NH2+]C1CC(C(N)=O)C1 ZINC000716723869 712571336 /nfs/dbraw/zinc/57/13/36/712571336.db2.gz RUMGNICOURIOHE-AFPNSQJFSA-N 1 0 200.282 0.265 10 0 BCAERO C[C@@H]1C[C@@H]([NH2+]C2CC(C(N)=O)C2)CCO1 ZINC000716741556 712571840 /nfs/dbraw/zinc/57/18/40/712571840.db2.gz RYSYJYSISJDBSH-RJQCTPFPSA-N 1 0 212.293 0.407 10 0 BCAERO C[C@H]1OCC[C@H]1NC(=O)CC[NH2+]CC1CC1 ZINC000717244611 712641457 /nfs/dbraw/zinc/64/14/57/712641457.db2.gz ZEBFHJPTJJMYEO-MWLCHTKSSA-N 1 0 226.320 0.670 10 0 BCAERO C[C@H](O)[C@H](O)C[NH2+]CCc1ccccc1 ZINC000717418449 712657138 /nfs/dbraw/zinc/65/71/38/712657138.db2.gz FTUSBVLGVCSECR-CMPLNLGQSA-N 1 0 209.289 0.560 10 0 BCAERO C[NH2+]C(C)(C)CNC(=O)N1CCOCC1 ZINC000380159216 712702334 /nfs/dbraw/zinc/70/23/34/712702334.db2.gz AFCIPXJNLKCZAU-UHFFFAOYSA-N 1 0 215.297 0.026 10 0 BCAERO CC(C)(CO)[NH2+]CC(=O)NCC(F)(F)F ZINC000042206970 712720053 /nfs/dbraw/zinc/72/00/53/712720053.db2.gz HTDLNWLVSLWFGI-UHFFFAOYSA-N 1 0 228.214 0.025 10 0 BCAERO C[C@@H]1CO[C@H](C(=O)N2CCC[C@H]2C[NH3+])C1 ZINC000718445529 712762538 /nfs/dbraw/zinc/76/25/38/712762538.db2.gz HRRVQILWXLPCKL-GUBZILKMSA-N 1 0 212.293 0.361 10 0 BCAERO CC(F)(F)CCC[N@@H+]1C[C@@H](O)C[C@@H]1CO ZINC000718705722 712777957 /nfs/dbraw/zinc/77/79/57/712777957.db2.gz CUAYNSYYJKSSGC-BDAKNGLRSA-N 1 0 223.263 0.849 10 0 BCAERO CO[C@@H]1CCC[C@H]([NH2+][C@@H]2CCNC2=O)CC1 ZINC000718768015 712781959 /nfs/dbraw/zinc/78/19/59/712781959.db2.gz YIQZMMIGQRXRKC-HBNTYKKESA-N 1 0 226.320 0.812 10 0 BCAERO CC(C)(C)OC[C@@H](O)C[NH2+]C(C)(C)CO ZINC000037888178 712780847 /nfs/dbraw/zinc/78/08/47/712780847.db2.gz JPFZVCATFSASPR-VIFPVBQESA-N 1 0 219.325 0.523 10 0 BCAERO c1cc(CCN2CCO[C@@H]3C[NH2+]C[C@@H]32)sn1 ZINC000719872188 712824684 /nfs/dbraw/zinc/82/46/84/712824684.db2.gz KWOXINXVQCQGLF-WDEREUQCSA-N 1 0 239.344 0.358 10 0 BCAERO [NH3+]Cc1cn(CCc2ccns2)nn1 ZINC000719940082 712826790 /nfs/dbraw/zinc/82/67/90/712826790.db2.gz OLYKCTLHGRIRMQ-UHFFFAOYSA-N 1 0 209.278 0.436 10 0 BCAERO C[C@@H](N[C@@H](C)c1cn(C)nn1)[C@H]1CCC[NH2+]1 ZINC000720600084 712857120 /nfs/dbraw/zinc/85/71/20/712857120.db2.gz BAFGSUZWXWWARH-KXUCPTDWSA-N 1 0 223.324 0.606 10 0 BCAERO CC(C)OC[C@@H](O)CN1C[C@@H]([NH3+])C(C)(C)C1 ZINC000720746054 712863385 /nfs/dbraw/zinc/86/33/85/712863385.db2.gz FMBHILQLADHVNY-WDEREUQCSA-N 1 0 230.352 0.441 10 0 BCAERO CCCCC[C@H](O)CC(=O)NCCC[NH3+] ZINC000381198401 710608407 /nfs/dbraw/zinc/60/84/07/710608407.db2.gz DYXXFTCFZUIBEY-JTQLQIEISA-N 1 0 216.325 0.783 10 0 BCAERO CC(C)CCS(=O)(=O)NC1CC(C[NH3+])C1 ZINC000381226037 710610396 /nfs/dbraw/zinc/61/03/96/710610396.db2.gz JWEJBNDWKHDNAA-UHFFFAOYSA-N 1 0 234.365 0.689 10 0 BCAERO CC[C@@H](C)[C@H](C[NH2+]CCn1cncn1)OC ZINC000381269988 710615173 /nfs/dbraw/zinc/61/51/73/710615173.db2.gz HMIMJNQCKDXOCC-MNOVXSKESA-N 1 0 226.324 0.929 10 0 BCAERO CO[C@H]1C[C@@H](C[NH2+][C@H]2CCC(=O)N[C@H]2C)C1 ZINC000721898922 710689138 /nfs/dbraw/zinc/68/91/38/710689138.db2.gz PQMRKVVKZVOFKL-MMWGEVLESA-N 1 0 226.320 0.668 10 0 BCAERO CCN1CCC[C@@H]([NH2+]C[C@@H](O)C(C)(C)C)C1=O ZINC000722352724 710707907 /nfs/dbraw/zinc/70/79/07/710707907.db2.gz KRQGSGGBRKPANQ-GHMZBOCLSA-N 1 0 242.363 0.994 10 0 BCAERO C[C@H]1CN(C[C@@H](O)C[NH+]2CCCC2)CCS1 ZINC000380460972 712901032 /nfs/dbraw/zinc/90/10/32/712901032.db2.gz FIYFENZWHOXDAB-RYUDHWBXSA-N 1 0 244.404 0.880 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1CC(=O)N(C)C[C@@H]1CCCO1 ZINC000722512155 710713555 /nfs/dbraw/zinc/71/35/55/710713555.db2.gz KXRMARGBVKSGKD-UTUOFQBUSA-N 1 0 240.347 0.869 10 0 BCAERO C[C@@H](NC(=O)C[C@@H]1C[NH2+]C[C@H]1C)[C@@H]1CCCO1 ZINC000722519288 710713814 /nfs/dbraw/zinc/71/38/14/710713814.db2.gz FBXYZAWGGIDPAX-KKOKHZNYSA-N 1 0 240.347 0.916 10 0 BCAERO C[C@@H](O)CCNC(=O)C[C@@H]1C[NH2+]C[C@H]1C ZINC000722558907 710715292 /nfs/dbraw/zinc/71/52/92/710715292.db2.gz YDVWFYVPFVCLSW-OPRDCNLKSA-N 1 0 214.309 0.119 10 0 BCAERO C[C@H](O)CCNC(=O)C[C@@H]1C[NH2+]C[C@H]1C ZINC000722558904 710715576 /nfs/dbraw/zinc/71/55/76/710715576.db2.gz YDVWFYVPFVCLSW-KXUCPTDWSA-N 1 0 214.309 0.119 10 0 BCAERO [NH3+]CC12CCC(CC1)N2c1cnccn1 ZINC000722987664 710723612 /nfs/dbraw/zinc/72/36/12/710723612.db2.gz SZRYSSFFPCMHEX-UHFFFAOYSA-N 1 0 204.277 0.937 10 0 BCAERO C[C@@H]1CN(CCO[C@H]2CCOC2)C[C@@H]1[NH3+] ZINC000724916718 710747806 /nfs/dbraw/zinc/74/78/06/710747806.db2.gz VHIJQJVCWDQCKJ-VWYCJHECSA-N 1 0 214.309 0.071 10 0 BCAERO OCC[C@@H]1CC[N@H+](CCO[C@H]2CCOC2)C1 ZINC000724978757 710752104 /nfs/dbraw/zinc/75/21/04/710752104.db2.gz VALSPCXZMDRTRK-RYUDHWBXSA-N 1 0 229.320 0.496 10 0 BCAERO CCCCOC[C@H](O)CN1CC[C@H]([NH3+])[C@@H]1C ZINC000380555247 712901678 /nfs/dbraw/zinc/90/16/78/712901678.db2.gz KRQXFRUZVKZROV-TUAOUCFPSA-N 1 0 230.352 0.586 10 0 BCAERO CCOc1nccnc1N[C@@H]1C[NH2+]C[C@H]1C ZINC000721902930 710690839 /nfs/dbraw/zinc/69/08/39/710690839.db2.gz DSRDYQYFYFQPIY-RKDXNWHRSA-N 1 0 222.292 0.895 10 0 BCAERO OCC[C@H]1CC[N@H+](CCO[C@@H]2CCOC2)C1 ZINC000724978758 710751380 /nfs/dbraw/zinc/75/13/80/710751380.db2.gz VALSPCXZMDRTRK-VXGBXAGGSA-N 1 0 229.320 0.496 10 0 BCAERO COC(C)(C)C[C@@](C)(C[NH3+])OCCO ZINC000234619312 711450524 /nfs/dbraw/zinc/45/05/24/711450524.db2.gz AHNIIWPQAMDHQI-JTQLQIEISA-N 1 0 205.298 0.528 10 0 BCAERO CN1C[C@@H](C[NH2+]Cc2ccoc2)CC1=O ZINC000722750418 711469981 /nfs/dbraw/zinc/46/99/81/711469981.db2.gz CLVLHNPQRSHKGK-SNVBAGLBSA-N 1 0 208.261 0.848 10 0 BCAERO CN1C[C@@H](C[NH2+][C@H]2COCC2(C)C)CC1=O ZINC000722754832 711469999 /nfs/dbraw/zinc/46/99/99/711469999.db2.gz WGZVARFHKPEUOE-ZJUUUORDSA-N 1 0 226.320 0.479 10 0 BCAERO C[C@@H]1OC[C@H]([NH2+]C[C@H]2CC(=O)N(C)C2)[C@@H]1C ZINC000722754659 711470201 /nfs/dbraw/zinc/47/02/01/711470201.db2.gz UEEDKTFSPIRRSJ-YTWAJWBKSA-N 1 0 226.320 0.478 10 0 BCAERO Cn1nccc1[C@@H]1CCNC2=[NH+]CCN21 ZINC000236084551 711489076 /nfs/dbraw/zinc/48/90/76/711489076.db2.gz DACLWIOHLAIUHU-VIFPVBQESA-N 1 0 205.265 0.126 10 0 BCAERO Cc1nc(C)c(C[NH2+]C2CC(C(N)=O)C2)o1 ZINC000723632116 711527979 /nfs/dbraw/zinc/52/79/79/711527979.db2.gz BSXKDDUNNZHUSM-UHFFFAOYSA-N 1 0 223.276 0.645 10 0 BCAERO Cc1nnc2c(NC[C@@H]3C[NH2+]C[C@H]3C)nccn12 ZINC000723798805 711537368 /nfs/dbraw/zinc/53/73/68/711537368.db2.gz BYQIZHQQBLFHDP-SCZZXKLOSA-N 1 0 246.318 0.700 10 0 BCAERO CC(C)(CN[C@H]1CC[NH2+]C1)CS(C)(=O)=O ZINC000723882967 711543374 /nfs/dbraw/zinc/54/33/74/711543374.db2.gz NPBOPLNMSXWRTG-VIFPVBQESA-N 1 0 234.365 0.009 10 0 BCAERO CC(C)(CO)[NH2+]C[C@@H]1C[C@@H]2COC[C@H]2O1 ZINC000724658506 711606419 /nfs/dbraw/zinc/60/64/19/711606419.db2.gz DXONEBDUKKDEHP-KXUCPTDWSA-N 1 0 215.293 0.151 10 0 BCAERO CO[C@@H]1CCOC[C@H]1[NH2+]C[C@@H]1CCCN1C ZINC000724883967 711625555 /nfs/dbraw/zinc/62/55/55/711625555.db2.gz AHNPKAZREDXANL-QJPTWQEYSA-N 1 0 228.336 0.474 10 0 BCAERO C[C@H]1OCCN[C@@H]1C(=O)NCCC1CCC1 ZINC000328083388 711689370 /nfs/dbraw/zinc/68/93/70/711689370.db2.gz AVNXQGDKXHXVBO-KOLCDFICSA-N 1 0 226.320 0.670 10 0 BCAERO CC(C)O[C@]1(C[NH2+]CC(C)(C)O)CCOC1 ZINC000722352805 711743950 /nfs/dbraw/zinc/74/39/50/711743950.db2.gz LHWOUCBNENIAOU-LBPRGKRZSA-N 1 0 231.336 0.931 10 0 BCAERO CC(C)O[C@@]1(C[NH2+]CC(C)(C)O)CCOC1 ZINC000722352804 711743976 /nfs/dbraw/zinc/74/39/76/711743976.db2.gz LHWOUCBNENIAOU-GFCCVEGCSA-N 1 0 231.336 0.931 10 0 BCAERO Nc1nc2n(n1)[C@H]([C@@H]1CCC[NH2+]C1)CCN2 ZINC000236399985 711761804 /nfs/dbraw/zinc/76/18/04/711761804.db2.gz ZXXIHURLVCKEPX-SFYZADRCSA-N 1 0 222.296 0.217 10 0 BCAERO CC(C)(O)C[N@@H+]1CC[C@@H](C(C)(C)O)C1 ZINC000721839881 711780144 /nfs/dbraw/zinc/78/01/44/711780144.db2.gz STIOFXQQOBXIAB-SECBINFHSA-N 1 0 201.310 0.850 10 0 BCAERO C[NH2+][C@@H]1CCN(C[C@@H](O)COC(C)C)C1 ZINC000227671809 711832516 /nfs/dbraw/zinc/83/25/16/711832516.db2.gz IOQVNBNYBQPTOC-GHMZBOCLSA-N 1 0 216.325 0.066 10 0 BCAERO CCOC(=O)[C@H](C)NC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000227802190 711832919 /nfs/dbraw/zinc/83/29/19/711832919.db2.gz SNHHAHYBQULYQA-DJLDLDEBSA-N 1 0 228.292 0.182 10 0 BCAERO CO[C@H]1CN(Cc2cnns2)[C@@](C)(C[NH3+])C1 ZINC000708930734 711975292 /nfs/dbraw/zinc/97/52/92/711975292.db2.gz KHQWCOMXRKCVTH-PSASIEDQSA-N 1 0 242.348 0.476 10 0 BCAERO COCCN(CCF)C(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000700407663 711992537 /nfs/dbraw/zinc/99/25/37/711992537.db2.gz IENGKYOAVZAUBX-WDEREUQCSA-N 1 0 246.326 0.948 10 0 BCAERO CSC(C)(C)CNC(=O)[C@@H]1C[NH2+]CCOC1 ZINC000700497654 711994870 /nfs/dbraw/zinc/99/48/70/711994870.db2.gz VMWNQHMXMLEWQF-SECBINFHSA-N 1 0 246.376 0.480 10 0 BCAERO [NH3+]CCOCc1nc([C@@H]2CC23CC3)no1 ZINC000700450560 711995212 /nfs/dbraw/zinc/99/52/12/711995212.db2.gz BXWCAQWQXNSBLQ-ZETCQYMHSA-N 1 0 209.249 0.812 10 0 BCAERO CCCCCCNC(=O)[C@H]1C[NH2+]CCOC1 ZINC000700561058 711996063 /nfs/dbraw/zinc/99/60/63/711996063.db2.gz GBXNXNZFPSSBKH-NSHDSACASA-N 1 0 228.336 0.919 10 0 BCAERO O=C(Nc1ccc(F)nc1)[C@H]1C[NH2+]CCOC1 ZINC000700527737 711996878 /nfs/dbraw/zinc/99/68/78/711996878.db2.gz LHYJUTLCTUYFJN-QMMMGPOBSA-N 1 0 239.250 0.395 10 0 BCAERO CC1(C)CCC[C@H]1[NH2+][C@@H]1CS(=O)(=O)C[C@H]1O ZINC000700598775 711999904 /nfs/dbraw/zinc/99/99/04/711999904.db2.gz JQHXADOYOJGVJP-OPRDCNLKSA-N 1 0 247.360 0.313 10 0 BCAERO O=C([C@@H]1Cc2ccccc2CO1)N1CC[NH2+]CC1 ZINC000700688187 712003729 /nfs/dbraw/zinc/00/37/29/712003729.db2.gz FNUPKBVFKLOEDZ-ZDUSSCGKSA-N 1 0 246.310 0.560 10 0 BCAERO O=S1(=O)C[C@@H](O)[C@H]([NH2+][C@@H]2CCCC23CC3)C1 ZINC000700738868 712004511 /nfs/dbraw/zinc/00/45/11/712004511.db2.gz VOQPHERZMJDOLM-OPRDCNLKSA-N 1 0 245.344 0.067 10 0 BCAERO Cc1nc(CC(=O)N2CC[C@@H]([NH3+])[C@@H]2C)cs1 ZINC000700777098 712006977 /nfs/dbraw/zinc/00/69/77/712006977.db2.gz VOCLQVSZKSQIHY-OIBJUYFYSA-N 1 0 239.344 0.942 10 0 BCAERO C[N@@H+]1C[C@@H]2C[NH+](CC3(O)CCC3)C[C@]2(C)C1 ZINC000702345619 712045640 /nfs/dbraw/zinc/04/56/40/712045640.db2.gz FLBSAUQUUIZWND-NEPJUHHUSA-N 1 0 224.348 0.785 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)NCc1ncccn1 ZINC000702335536 712048054 /nfs/dbraw/zinc/04/80/54/712048054.db2.gz DEWFDZXZGJMNLS-SECBINFHSA-N 1 0 222.292 0.466 10 0 BCAERO CC[C@H](NC(=O)[C@@H](N)C[NH+](C)C)C(C)C ZINC000702395696 712049882 /nfs/dbraw/zinc/04/98/82/712049882.db2.gz XRLPIVDXIOHSGE-UWVGGRQHSA-N 1 0 215.341 0.426 10 0 BCAERO CC(C)OC[C@H](O)CN1C[C@H]([NH3+])C[C@H]1C ZINC000702653143 712058593 /nfs/dbraw/zinc/05/85/93/712058593.db2.gz GGYORGGTIVBHBO-GMTAPVOTSA-N 1 0 216.325 0.194 10 0 BCAERO CC(C)OC[C@H](O)CN1C[C@@H]([NH3+])C[C@H]1C ZINC000702653146 712058825 /nfs/dbraw/zinc/05/88/25/712058825.db2.gz GGYORGGTIVBHBO-OUAUKWLOSA-N 1 0 216.325 0.194 10 0 BCAERO CCCCCCC(=O)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000702813646 712061645 /nfs/dbraw/zinc/06/16/45/712061645.db2.gz IEWGCEVARTUUEE-MNOVXSKESA-N 1 0 228.336 0.653 10 0 BCAERO CC1(O)CCC([NH2+][C@H]2CCOC[C@@H]2O)CC1 ZINC000706707438 712152511 /nfs/dbraw/zinc/15/25/11/712152511.db2.gz WNCDRBBBBGJRHZ-YECOWLKZSA-N 1 0 229.320 0.419 10 0 BCAERO CCON1CCC([NH2+][C@H]2CCOC[C@@H]2O)CC1 ZINC000706732881 712153195 /nfs/dbraw/zinc/15/31/95/712153195.db2.gz DGHKKRKQDBFVSQ-RYUDHWBXSA-N 1 0 244.335 0.142 10 0 BCAERO C[C@H](C[C@@H]1CCOC1)[NH2+][C@H]1CCOC[C@H]1O ZINC000706753827 712153908 /nfs/dbraw/zinc/15/39/08/712153908.db2.gz JGANVUHISJSECT-NOOOWODRSA-N 1 0 229.320 0.541 10 0 BCAERO O[C@@H]1COCC[C@@H]1[NH2+][C@H]1CCc2cccnc21 ZINC000706765917 712154959 /nfs/dbraw/zinc/15/49/59/712154959.db2.gz BHARHVDMUDBTRE-SDDRHHMPSA-N 1 0 234.299 0.808 10 0 BCAERO CC1(C)COC[C@@H]1[NH2+][C@@H]1CCOC[C@@H]1O ZINC000706775869 712155562 /nfs/dbraw/zinc/15/55/62/712155562.db2.gz VLCGENPLNPWKJU-UTLUCORTSA-N 1 0 215.293 0.151 10 0 BCAERO COc1cncc(C[NH2+][C@@H]2CCOC[C@@H]2O)c1 ZINC000706775906 712155598 /nfs/dbraw/zinc/15/55/98/712155598.db2.gz YXCQEXUAOYLWKK-NEPJUHHUSA-N 1 0 238.287 0.330 10 0 BCAERO Cc1nc(C[NH2+][C@@H]2CCOC[C@@H]2O)sc1C ZINC000706968464 712159992 /nfs/dbraw/zinc/15/99/92/712159992.db2.gz JYYZMMMYMCRHPQ-ZJUUUORDSA-N 1 0 242.344 0.999 10 0 BCAERO CC[NH2+][C@@H](C)C(=O)N1CCOC[C@H]1C ZINC000707930150 712173512 /nfs/dbraw/zinc/17/35/12/712173512.db2.gz YQWDQIVZPOPJDC-BDAKNGLRSA-N 1 0 200.282 0.232 10 0 BCAERO CC[NH2+][C@H](C)C(=O)NC[C@H](O)C(F)(F)F ZINC000707958572 712174186 /nfs/dbraw/zinc/17/41/86/712174186.db2.gz NIFWLKJOIRIEPO-RITPCOANSA-N 1 0 228.214 0.024 10 0 BCAERO CC[NH2+][C@H](C)C(=O)N1[C@H](C)COC[C@H]1C ZINC000707974638 712174917 /nfs/dbraw/zinc/17/49/17/712174917.db2.gz DPVINLVHJRQZHZ-OPRDCNLKSA-N 1 0 214.309 0.620 10 0 BCAERO C[C@@H]1CN(c2ncnc3c2CCC3)C[C@H]1C[NH3+] ZINC000708097180 712181302 /nfs/dbraw/zinc/18/13/02/712181302.db2.gz SJNNWOALXLJAOI-NXEZZACHSA-N 1 0 232.331 0.996 10 0 BCAERO C[C@@H]1C[N@H+](Cc2cnc(N)cn2)C[C@H]1CO ZINC000708143131 712183092 /nfs/dbraw/zinc/18/30/92/712183092.db2.gz YGHJCDIBACNICM-BDAKNGLRSA-N 1 0 222.292 0.119 10 0 BCAERO C[C@@H]1C[N@H+](CCc2cnccn2)C[C@H]1CO ZINC000708686916 712196883 /nfs/dbraw/zinc/19/68/83/712196883.db2.gz NIUODPSVOLEPBG-MNOVXSKESA-N 1 0 221.304 0.579 10 0 BCAERO COC[C@H](C[N@@H+]1C[C@@H](C)[C@H](CO)C1)OC ZINC000708697054 712197348 /nfs/dbraw/zinc/19/73/48/712197348.db2.gz ANSSINWHBXBNPQ-VWYCJHECSA-N 1 0 217.309 0.208 10 0 BCAERO Cc1cc(=O)[nH]c(C[N@H+]2C[C@@H](C)[C@H](CO)C2)n1 ZINC000708697075 712197655 /nfs/dbraw/zinc/19/76/55/712197655.db2.gz AZGCLDBZXZFHTK-SCZZXKLOSA-N 1 0 237.303 0.551 10 0 BCAERO C[C@H]1CN(Cc2cnns2)C[C@H]1C[NH3+] ZINC000708825768 712199983 /nfs/dbraw/zinc/19/99/83/712199983.db2.gz NDLDRQDWMUJXDO-JGVFFNPUSA-N 1 0 212.322 0.565 10 0 BCAERO C[C@@H]1CN(C(=O)c2cccnc2F)C[C@H]1C[NH3+] ZINC000708841380 712200470 /nfs/dbraw/zinc/20/04/70/712200470.db2.gz RAYSZUPDQZJRBW-RKDXNWHRSA-N 1 0 237.278 0.888 10 0 BCAERO C[C@H]1CN(C(=O)c2cccc(F)n2)C[C@H]1C[NH3+] ZINC000708840813 712200473 /nfs/dbraw/zinc/20/04/73/712200473.db2.gz LSZUBKXRWGNBJN-DTWKUNHWSA-N 1 0 237.278 0.888 10 0 BCAERO C[C@H]1CN(c2ccnc(C(N)=O)c2)C[C@@H]1C[NH3+] ZINC000708839646 712200657 /nfs/dbraw/zinc/20/06/57/712200657.db2.gz QAZZLSQPRJCHQF-IUCAKERBSA-N 1 0 234.303 0.212 10 0 BCAERO C[C@@H]1CN(C(=O)[C@H](O)c2ccccc2)C[C@@H]1C[NH3+] ZINC000708865157 712201276 /nfs/dbraw/zinc/20/12/76/712201276.db2.gz GRNJVFARBLNJAG-KGYLQXTDSA-N 1 0 248.326 0.773 10 0 BCAERO CC(C)[C@H]1CN(C(=O)C2CC([NH3+])C2)CCO1 ZINC000708884817 712202838 /nfs/dbraw/zinc/20/28/38/712202838.db2.gz LMHUNZKCKHHRMJ-VQXHTEKXSA-N 1 0 226.320 0.607 10 0 BCAERO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(c1ncnc3nc[nH]c31)C2 ZINC000709802229 712227176 /nfs/dbraw/zinc/22/71/76/712227176.db2.gz JANWGHIZNPLJRL-CIUDSAMLSA-N 1 0 244.302 0.669 10 0 BCAERO C[C@@H]1COC[C@H](C)N1C(=O)[C@H]1[NH2+]CC1(C)C ZINC000710185098 712247293 /nfs/dbraw/zinc/24/72/93/712247293.db2.gz OHUNFDPLYBULIB-KXUCPTDWSA-N 1 0 226.320 0.620 10 0 BCAERO COC[C@@]1(C(=O)N[C@@H](C)C(C)C)C[NH2+]CCO1 ZINC000710691501 712254369 /nfs/dbraw/zinc/25/43/69/712254369.db2.gz RDDRTORQQMRRAW-CMPLNLGQSA-N 1 0 244.335 0.152 10 0 BCAERO [NH3+][C@H]1CC[C@H](C(=O)NC[C@H]2CCC[C@H]2O)CC1 ZINC000710867468 712260164 /nfs/dbraw/zinc/26/01/64/712260164.db2.gz DZQBDTRVUBIXOC-DDHJBXDOSA-N 1 0 240.347 0.781 10 0 BCAERO [NH3+][C@H]1CC[C@H](C(=O)N[C@H]2CCC[C@H](O)C2)CC1 ZINC000710879403 712260673 /nfs/dbraw/zinc/26/06/73/712260673.db2.gz RLNHAKBVNSDQDO-BJDJZHNGSA-N 1 0 240.347 0.924 10 0 BCAERO C[C@@H](O)CCNC(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000710923741 712266302 /nfs/dbraw/zinc/26/63/02/712266302.db2.gz WHEXBJFUQSYPQE-OPRDCNLKSA-N 1 0 214.309 0.391 10 0 BCAERO C[C@@H]1OCC[C@@H]1NC(=O)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000711286390 712292413 /nfs/dbraw/zinc/29/24/13/712292413.db2.gz CETOKPQENAAGEB-KQXIARHKSA-N 1 0 238.331 0.812 10 0 BCAERO CC1(C)C[NH2+]C[C@@H]1C(=O)NC[C@@H]1CCC[C@H]1O ZINC000711346005 712295007 /nfs/dbraw/zinc/29/50/07/712295007.db2.gz CHBXHRZQCOBABG-HBNTYKKESA-N 1 0 240.347 0.509 10 0 BCAERO CC1(C)C[NH2+]C[C@@H]1C(=O)N[C@H]1CCC[C@H](O)C1 ZINC000711347728 712295116 /nfs/dbraw/zinc/29/51/16/712295116.db2.gz YHMGDQCIUIQYMA-GARJFASQSA-N 1 0 240.347 0.652 10 0 BCAERO O=C(N[C@@]12CCC[C@@H]1[NH2+]CC2)[C@@H]1CCCO1 ZINC000711596204 712311321 /nfs/dbraw/zinc/31/13/21/712311321.db2.gz BUNVIXJPEMVIQK-JBLDHEPKSA-N 1 0 224.304 0.566 10 0 BCAERO C[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+]C[C@H](O)C(C)(C)C ZINC000711700986 712318024 /nfs/dbraw/zinc/31/80/24/712318024.db2.gz CXPKQDPRDDFLBH-UTLUCORTSA-N 1 0 249.376 0.416 10 0 BCAERO C[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+]C[C@@H](O)C(C)(C)C ZINC000711700978 712318117 /nfs/dbraw/zinc/31/81/17/712318117.db2.gz CXPKQDPRDDFLBH-KXUCPTDWSA-N 1 0 249.376 0.416 10 0 BCAERO C(CN1CC[C@H]2OCC[NH2+][C@H]2C1)OC1CC1 ZINC000711775707 712328526 /nfs/dbraw/zinc/32/85/26/712328526.db2.gz AXYGFHSXVCITPZ-NWDGAFQWSA-N 1 0 226.320 0.228 10 0 BCAERO COC(C)(C)[C@H](C)[NH2+]C[C@@H]1CNC(=O)O1 ZINC000378770783 712360383 /nfs/dbraw/zinc/36/03/83/712360383.db2.gz FTDWGNDKLOCCMX-JGVFFNPUSA-N 1 0 216.281 0.498 10 0 BCAERO [NH3+]C[C@@H]1C[C@H](F)CN1C[C@@H]1CCCOC1 ZINC000378805388 712362411 /nfs/dbraw/zinc/36/24/11/712362411.db2.gz WQSDSMIDNWVILD-DCAQKATOSA-N 1 0 216.300 0.784 10 0 BCAERO Cn1ncc(C[NH2+][C@H]2CCCC[C@H]2O)n1 ZINC000378817239 712362543 /nfs/dbraw/zinc/36/25/43/712362543.db2.gz CLUDBEHGDJYLRB-VHSXEESVSA-N 1 0 210.281 0.208 10 0 BCAERO CC(C)OC[C@H](O)CN1CC[NH2+][C@H](C)[C@H]1C ZINC000379496065 712386005 /nfs/dbraw/zinc/38/60/05/712386005.db2.gz QPNGUTWVSBBQCJ-IJLUTSLNSA-N 1 0 230.352 0.455 10 0 BCAERO CO[C@@H]1CCOC[C@H]1[NH2+]CC(C)(C)O ZINC000724890081 712393016 /nfs/dbraw/zinc/39/30/16/712393016.db2.gz SQSZUCXTGNBQNK-RKDXNWHRSA-N 1 0 203.282 0.151 10 0 BCAERO Cn1ncc(C[NH2+][C@H]2CCOC[C@@H]2O)c1Cl ZINC000712470928 712430845 /nfs/dbraw/zinc/43/08/45/712430845.db2.gz ZAQYGIWZVLZRTK-IUCAKERBSA-N 1 0 245.710 0.313 10 0 BCAERO CCN1CC[C@H]1C[NH2+][C@@H]1CCCC[C@H]1O ZINC000712533112 712442007 /nfs/dbraw/zinc/44/20/07/712442007.db2.gz FRHIHBGQPLIOPF-QJPTWQEYSA-N 1 0 212.337 0.974 10 0 BCAERO CCS(=O)(=O)CCN1CC[NH2+]CCC1(C)C ZINC000712554765 712444730 /nfs/dbraw/zinc/44/47/30/712444730.db2.gz ODKLBCQSEPTJPH-UHFFFAOYSA-N 1 0 248.392 0.495 10 0 BCAERO CCCCOC[C@@H](O)C[NH2+]C[C@H]1CCN1C ZINC000712565831 712446438 /nfs/dbraw/zinc/44/64/38/712446438.db2.gz YKZIFUBUUGECOE-NEPJUHHUSA-N 1 0 230.352 0.458 10 0 BCAERO C[C@@H]1OCC[C@H]1NC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000713238670 712455744 /nfs/dbraw/zinc/45/57/44/712455744.db2.gz HDNOUEYSWFKYSV-IMICNGSGSA-N 1 0 224.304 0.407 10 0 BCAERO C=C/C=C/CCN1CCOC[C@]1(C[NH3+])CO ZINC000713754807 712471221 /nfs/dbraw/zinc/47/12/21/712471221.db2.gz KBYBERIKLBWIEE-PCAWENJQSA-N 1 0 226.320 0.141 10 0 BCAERO Cc1nnc(NC(=O)[C@H]2CO[C@@H](C[NH3+])C2)s1 ZINC000713765966 712472023 /nfs/dbraw/zinc/47/20/23/712472023.db2.gz DMWZKIDBZQJHCG-RNFRBKRXSA-N 1 0 242.304 0.149 10 0 BCAERO Cc1nnc(NC(=O)[C@@H]2CO[C@H](C[NH3+])C2)s1 ZINC000713765960 712472031 /nfs/dbraw/zinc/47/20/31/712472031.db2.gz DMWZKIDBZQJHCG-BQBZGAKWSA-N 1 0 242.304 0.149 10 0 BCAERO CCC(CC)CNC(=O)[C@H]1CO[C@H](C[NH3+])C1 ZINC000713885064 712472427 /nfs/dbraw/zinc/47/24/27/712472427.db2.gz ZMGLKHHFNRBMLW-MNOVXSKESA-N 1 0 228.336 0.903 10 0 BCAERO [NH3+]C[C@@H]1C[C@H](C(=O)NCCc2ccccc2)CO1 ZINC000713783669 712472472 /nfs/dbraw/zinc/47/24/72/712472472.db2.gz RJKVSJKTGLMENX-STQMWFEESA-N 1 0 248.326 0.709 10 0 BCAERO CC1CCN(C(=O)[C@@H]2CO[C@@H](C[NH3+])C2)CC1 ZINC000713826248 712472858 /nfs/dbraw/zinc/47/28/58/712472858.db2.gz WIRJVGLTHDMYOE-WDEREUQCSA-N 1 0 226.320 0.609 10 0 BCAERO [NH3+]C[C@H]1C[C@H](C(=O)N2CCCCCC2)CO1 ZINC000713828067 712472887 /nfs/dbraw/zinc/47/28/87/712472887.db2.gz ZOAAFUHVDCQRTM-WDEREUQCSA-N 1 0 226.320 0.753 10 0 BCAERO Cc1cc(NC(=O)[C@H]2CO[C@H](C[NH3+])C2)n(C)n1 ZINC000713816256 712472900 /nfs/dbraw/zinc/47/29/00/712472900.db2.gz ZCLDQVWHNCXCTR-BDAKNGLRSA-N 1 0 238.291 0.031 10 0 BCAERO [NH3+]C[C@@H]1C[C@H](C(=O)Nc2ccc(F)nc2)CO1 ZINC000713810709 712472909 /nfs/dbraw/zinc/47/29/09/712472909.db2.gz ISHKLQZFTFWYQP-CBAPKCEASA-N 1 0 239.250 0.523 10 0 BCAERO CCCN(C)C(=O)[C@H]1CO[C@@H](C[NH3+])C1 ZINC000713837620 712473215 /nfs/dbraw/zinc/47/32/15/712473215.db2.gz NZXOWIRQIUQERK-RKDXNWHRSA-N 1 0 200.282 0.219 10 0 BCAERO COCC1CC(NC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000713930729 712473919 /nfs/dbraw/zinc/47/39/19/712473919.db2.gz MWVNTMDRDHIFNZ-RTBKNWGFSA-N 1 0 212.293 0.280 10 0 BCAERO COCC1CC(NC(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000713935365 712474081 /nfs/dbraw/zinc/47/40/81/712474081.db2.gz LXVDPEZBRYQOTO-HSOILSAZSA-N 1 0 226.320 0.527 10 0 BCAERO COCC1CC(NC(=O)CC[C@@H]2CC[NH2+]C2)C1 ZINC000713946203 712474141 /nfs/dbraw/zinc/47/41/41/712474141.db2.gz QBBOBIZFIWLITK-VOMCLLRMSA-N 1 0 240.347 0.917 10 0 BCAERO COCC1CC(NC(=O)C[C@H]2CCC[NH2+]C2)C1 ZINC000713943946 712474198 /nfs/dbraw/zinc/47/41/98/712474198.db2.gz CTFLUHNVWTYQIM-VOMCLLRMSA-N 1 0 240.347 0.917 10 0 BCAERO COCC1CC(NC(=O)[C@H]2CCC[NH2+]C2)C1 ZINC000713935367 712474341 /nfs/dbraw/zinc/47/43/41/712474341.db2.gz LXVDPEZBRYQOTO-YVNMAJEFSA-N 1 0 226.320 0.527 10 0 BCAERO COCC1CC([NH2+]C[C@@H](O)C(F)(F)F)C1 ZINC000713971995 712475376 /nfs/dbraw/zinc/47/53/76/712475376.db2.gz AFDBMCAKZBLQAB-KAVNDROISA-N 1 0 227.226 0.924 10 0 BCAERO COCC1CC([NH2+]C[C@H](O)COC(C)C)C1 ZINC000713979555 712476043 /nfs/dbraw/zinc/47/60/43/712476043.db2.gz WAPFDDPQRFSGIY-MCIGGMRASA-N 1 0 231.336 0.787 10 0 BCAERO COCC1CC(NC(=O)[C@H]2C[C@H]([NH3+])C2)C1 ZINC000713986077 712476428 /nfs/dbraw/zinc/47/64/28/712476428.db2.gz RPIZSTXLQDARRX-LRHSEUGZSA-N 1 0 212.293 0.265 10 0 BCAERO [NH3+]C[C@H]1C[C@@H](c2nc(C3CC3)no2)CO1 ZINC000714074146 712477827 /nfs/dbraw/zinc/47/78/27/712477827.db2.gz CLDSEFLQYPXUHM-HTQZYQBOSA-N 1 0 209.249 0.778 10 0 BCAERO [NH3+]C[C@@H]1C[C@H](c2nc(C3CC3)no2)CO1 ZINC000714074153 712478039 /nfs/dbraw/zinc/47/80/39/712478039.db2.gz CLDSEFLQYPXUHM-YUMQZZPRSA-N 1 0 209.249 0.778 10 0 BCAERO CS(=O)(=O)[C@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2O)C1 ZINC000714245808 712480099 /nfs/dbraw/zinc/48/00/99/712480099.db2.gz DULXUUQTZIVUDO-GWOFURMSSA-N 1 0 247.360 0.455 10 0 BCAERO CCn1cc(CN(C)[C@H]2CCC[NH2+]CC2)nn1 ZINC000714436995 712486677 /nfs/dbraw/zinc/48/66/77/712486677.db2.gz XYXIJMAJHGCAME-LBPRGKRZSA-N 1 0 237.351 0.872 10 0 BCAERO Cn1ncc2c1ncnc2NC[C@H]1C[C@@H]([NH3+])C1 ZINC000715065874 712505072 /nfs/dbraw/zinc/50/50/72/712505072.db2.gz BUCLJQLCUQVRLT-OCAPTIKFSA-N 1 0 232.291 0.513 10 0 BCAERO CC1(C)OC[C@H](C[NH2+]CC2CC(O)C2)O1 ZINC000715083199 712506948 /nfs/dbraw/zinc/50/69/48/712506948.db2.gz VTMDMPLVBVJUDV-RTBKNWGFSA-N 1 0 215.293 0.498 10 0 BCAERO C[C@H]1OCC[C@H]1[NH2+]C[C@H]1COC(C)(C)O1 ZINC000715080615 712507119 /nfs/dbraw/zinc/50/71/19/712507119.db2.gz GIHBVEZDLWHTQN-KXUCPTDWSA-N 1 0 215.293 0.905 10 0 BCAERO [NH3+][C@H]1C[C@H](CNc2nnnn2-c2ccccc2)C1 ZINC000715113209 712509828 /nfs/dbraw/zinc/50/98/28/712509828.db2.gz CNRIZPVCGWZTQQ-MGCOHNPYSA-N 1 0 244.302 0.233 10 0 BCAERO NC(=O)c1cccc(C(=O)NCC2CC([NH3+])C2)c1 ZINC000715114447 712509990 /nfs/dbraw/zinc/50/99/90/712509990.db2.gz SCRRGTCQLRUBRQ-UHFFFAOYSA-N 1 0 247.298 0.253 10 0 BCAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]C[C@H]1COC(C)(C)O1 ZINC000715150628 712512313 /nfs/dbraw/zinc/51/23/13/712512313.db2.gz JNHZTIQEZSICEQ-GUBZILKMSA-N 1 0 242.319 0.395 10 0 BCAERO [NH3+]C[C@@H]1C[C@@H]1C(=O)N[C@H]1CCC[C@H](O)C1 ZINC000715227575 712514031 /nfs/dbraw/zinc/51/40/31/712514031.db2.gz NZQTVCMXHQVZLI-XKNYDFJKSA-N 1 0 212.293 0.001 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N1C[C@H]2[C@@H](C1)C2(F)F ZINC000715431146 712518660 /nfs/dbraw/zinc/51/86/60/712518660.db2.gz LFCWOSUYHLVDJF-BGZDPUMWSA-N 1 0 230.258 0.565 10 0 BCAERO COC(=O)[C@H]1C[N@H+](Cc2[nH]ncc2C)C[C@H]1C ZINC000715488655 712520618 /nfs/dbraw/zinc/52/06/18/712520618.db2.gz OVGBIYQGJMASOO-ZJUUUORDSA-N 1 0 237.303 0.959 10 0 BCAERO CC(C)C[C@@H]([NH3+])C(=O)N[C@H]1CCC[C@H](O)C1 ZINC000037001091 712528542 /nfs/dbraw/zinc/52/85/42/712528542.db2.gz XAKHLWNNBCWYLO-GARJFASQSA-N 1 0 228.336 0.780 10 0 BCAERO [NH3+]CCCCCC(=O)N[C@H]1CCC[C@H](O)C1 ZINC000037001022 712528978 /nfs/dbraw/zinc/52/89/78/712528978.db2.gz PHEYMMJZOOPTQE-QWRGUYRKSA-N 1 0 228.336 0.925 10 0 BCAERO O=C(Nc1ccc(=O)[nH]c1)C12CC[NH+](CC1)C2 ZINC000715791370 712532551 /nfs/dbraw/zinc/53/25/51/712532551.db2.gz IZHJEGUPPRVTKQ-UHFFFAOYSA-N 1 0 233.271 0.822 10 0 BCAERO C[C@H]([NH2+][C@@H]1CCO[C@H]1C)c1cn(C)nn1 ZINC000715854336 712536357 /nfs/dbraw/zinc/53/63/57/712536357.db2.gz LNIBHTOQTWUBQS-XHNCKOQMSA-N 1 0 210.281 0.643 10 0 BCAERO C[C@H]1C[C@@H](O)CN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000715863914 712537232 /nfs/dbraw/zinc/53/72/32/712537232.db2.gz LILWABHGBRNXNA-WDEREUQCSA-N 1 0 238.331 0.312 10 0 BCAERO C[C@H]1CC[C@H](O)CN1C(=O)C12CC[NH+](CC1)C2 ZINC000715869964 712538047 /nfs/dbraw/zinc/53/80/47/712538047.db2.gz KDTGRNZYPMLUED-QWRGUYRKSA-N 1 0 238.331 0.454 10 0 BCAERO O=C(NCCCCC1CC1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000716350542 712555977 /nfs/dbraw/zinc/55/59/77/712555977.db2.gz KSYGWSGNUJIWBH-GHMZBOCLSA-N 1 0 226.320 0.406 10 0 BCAERO CC1(C)C[C@@H]([NH2+]C2CC(C(N)=O)C2)CO1 ZINC000716717686 712570650 /nfs/dbraw/zinc/57/06/50/712570650.db2.gz RYRGLPRXZUURDE-AMDVSUOASA-N 1 0 212.293 0.407 10 0 BCAERO CC1(C)[C@H]([NH2+]C2CC(C(N)=O)C2)[C@H]2CCO[C@@H]21 ZINC000716682697 712569798 /nfs/dbraw/zinc/56/97/98/712569798.db2.gz DDHMUXZDCMHYDN-LKGNBDPISA-N 1 0 238.331 0.653 10 0 BCAERO C[C@@H]1C[C@@H]([NH2+]C2CC(C(N)=O)C2)CN1C1CC1 ZINC000716686689 712570498 /nfs/dbraw/zinc/57/04/98/712570498.db2.gz ZKZTXFYIMIXBMM-AGVGLQIMSA-N 1 0 237.347 0.465 10 0 BCAERO COC[C@H](C)C[NH2+]C1CC(C(N)=O)C1 ZINC000716721374 712570628 /nfs/dbraw/zinc/57/06/28/712570628.db2.gz BSGWBYBTMJQVNG-AFPNSQJFSA-N 1 0 200.282 0.122 10 0 BCAERO NC(=O)c1ccc(C[NH2+]C2CC(C(N)=O)C2)cc1 ZINC000716722330 712570702 /nfs/dbraw/zinc/57/07/02/712570702.db2.gz IGLVYJREGBOOKA-UHFFFAOYSA-N 1 0 247.298 0.139 10 0 BCAERO C[C@@H](C[C@@H]1CCOC1)[NH2+]C1CC(C(N)=O)C1 ZINC000716722398 712570786 /nfs/dbraw/zinc/57/07/86/712570786.db2.gz IYLMQCWQOWSBGT-SAAXCQNUSA-N 1 0 226.320 0.655 10 0 BCAERO C[C@H](C[C@@H]1CCOC1)[NH2+]C1CC(C(N)=O)C1 ZINC000716722394 712570839 /nfs/dbraw/zinc/57/08/39/712570839.db2.gz IYLMQCWQOWSBGT-MFQSTILNSA-N 1 0 226.320 0.655 10 0 BCAERO CC(C)(C)[C@@H](O)C[NH2+]C1CC(C(N)=O)C1 ZINC000716708234 712570884 /nfs/dbraw/zinc/57/08/84/712570884.db2.gz YTHDGYKLCMQOIE-HACHORDNSA-N 1 0 214.309 0.247 10 0 BCAERO C[C@@H]1C[C@H]([NH2+]C2CC(C(N)=O)C2)CS1 ZINC000716730624 712571223 /nfs/dbraw/zinc/57/12/23/712571223.db2.gz GBKOKGNZJIBBCP-KHONBHQKSA-N 1 0 214.334 0.734 10 0 BCAERO COC[C@@H]([NH2+]C1CC(C(N)=O)C1)C1CC1 ZINC000716739322 712571666 /nfs/dbraw/zinc/57/16/66/712571666.db2.gz BTZHOFWGDJBFEF-UDNWOFFPSA-N 1 0 212.293 0.265 10 0 BCAERO NC(=O)C1CC([NH2+]Cc2[nH]nc3ccccc32)C1 ZINC000716731796 712571667 /nfs/dbraw/zinc/57/16/67/712571667.db2.gz PLENIGFTYLGXQQ-UHFFFAOYSA-N 1 0 244.298 0.916 10 0 BCAERO C[C@@H]([NH2+]C1CC(C(N)=O)C1)c1cnccn1 ZINC000716755238 712572275 /nfs/dbraw/zinc/57/22/75/712572275.db2.gz LVHSBXRPIDCBTM-AFPNSQJFSA-N 1 0 220.276 0.391 10 0 BCAERO Cc1ccc(C[NH2+]C2CC(C(N)=O)C2)nc1 ZINC000716755893 712572348 /nfs/dbraw/zinc/57/23/48/712572348.db2.gz VBOBYHSWKNYAMQ-UHFFFAOYSA-N 1 0 219.288 0.744 10 0 BCAERO C[C@@H]([NH2+]C1CC(C(N)=O)C1)c1nccn1C ZINC000716759487 712572423 /nfs/dbraw/zinc/57/24/23/712572423.db2.gz HVFHIIKAYNMNBR-AFPNSQJFSA-N 1 0 222.292 0.335 10 0 BCAERO CCn1cc([C@@H](C)[NH2+]C2CC(C(N)=O)C2)cn1 ZINC000716782626 712573115 /nfs/dbraw/zinc/57/31/15/712573115.db2.gz GOWYAWHJLPFTBJ-FKTRJACZSA-N 1 0 236.319 0.818 10 0 BCAERO Cc1nn(C)cc1[C@@H](C)[NH2+]C1CC(C(N)=O)C1 ZINC000716783694 712573276 /nfs/dbraw/zinc/57/32/76/712573276.db2.gz YDMFPGWYDYDDEP-CUUXFQNZSA-N 1 0 236.319 0.643 10 0 BCAERO C[C@@H]([NH3+])Cc1nc(Cc2ccccn2)no1 ZINC000037452723 712638943 /nfs/dbraw/zinc/63/89/43/712638943.db2.gz MSWIVVDDMOYEJU-MRVPVSSYSA-N 1 0 218.260 0.945 10 0 BCAERO CC1(C)CO[C@@H](CNC(=O)C2CC([NH3+])C2)C1 ZINC000717588719 712661425 /nfs/dbraw/zinc/66/14/25/712661425.db2.gz NWCFFIPYFOHUSR-UDNWOFFPSA-N 1 0 226.320 0.655 10 0 BCAERO Cc1c(C[NH2+][C@]23C[C@H]2COC3)cnn1C ZINC000718020544 712736616 /nfs/dbraw/zinc/73/66/16/712736616.db2.gz QSGCMHKZNWYFPX-QWRGUYRKSA-N 1 0 207.277 0.607 10 0 BCAERO C[C@H]1CN(C(=O)[C@@H]2C[C@H](C)CO2)C[C@@H]1C[NH3+] ZINC000718547980 712769274 /nfs/dbraw/zinc/76/92/74/712769274.db2.gz CPGCWGPHGJIOIJ-NAKRPEOUSA-N 1 0 226.320 0.465 10 0 BCAERO CC[C@@H](CO)[NH2+]C[C@@H](O)COC(C)(C)C ZINC000037851451 712775370 /nfs/dbraw/zinc/77/53/70/712775370.db2.gz IODAXNYSGFVWDJ-VHSXEESVSA-N 1 0 219.325 0.523 10 0 BCAERO CC[C@@](C)(O)C[N@@H+]1CC[C@@H](C2OCCO2)C1 ZINC000719085024 712796068 /nfs/dbraw/zinc/79/60/68/712796068.db2.gz QTHXMGOVCMZYQG-ZYHUDNBSSA-N 1 0 229.320 0.842 10 0 BCAERO C1COC(C2CC[NH+]([C@H]3CCOC3)CC2)O1 ZINC000719081730 712796158 /nfs/dbraw/zinc/79/61/58/712796158.db2.gz SHUMVNUOBKAHBB-NSHDSACASA-N 1 0 227.304 0.860 10 0 BCAERO Cc1conc1CN1CC[C@H]2OCC[NH2+][C@H]2C1 ZINC000720392342 712838138 /nfs/dbraw/zinc/83/81/38/712838138.db2.gz ZXZAJVNMFCXGHP-NWDGAFQWSA-N 1 0 237.303 0.546 10 0 BCAERO C[C@H](C(=O)N1CCC[C@@H]([NH3+])C1)[C@@H]1CCCO1 ZINC000720541877 712850062 /nfs/dbraw/zinc/85/00/62/712850062.db2.gz PAGWGFKIGWPFMD-AXFHLTTASA-N 1 0 226.320 0.751 10 0 BCAERO C[C@H](C(=O)N1CC[C@H]([NH3+])C1)[C@@H]1CCCO1 ZINC000720558728 712850704 /nfs/dbraw/zinc/85/07/04/712850704.db2.gz YICOAMDYIVOHHY-GUBZILKMSA-N 1 0 212.293 0.361 10 0 BCAERO C[C@H](N[C@H]1CCC[C@H]([NH3+])C1)c1cn(C)nn1 ZINC000720585081 712854529 /nfs/dbraw/zinc/85/45/29/712854529.db2.gz VJMMCIDETCZBPJ-GUBZILKMSA-N 1 0 223.324 0.736 10 0 BCAERO C[C@@H](NC[C@@H]1CCC[NH2+]C1)c1cn(C)nn1 ZINC000720582717 712854775 /nfs/dbraw/zinc/85/47/75/712854775.db2.gz IXBVSSJTGXGBCG-NXEZZACHSA-N 1 0 223.324 0.465 10 0 BCAERO C[C@@H](N[C@@H]1C[NH2+]C[C@@H](C)C1)c1cn(C)nn1 ZINC000720604325 712857769 /nfs/dbraw/zinc/85/77/69/712857769.db2.gz ZPNPDFRZQDSYMP-AEJSXWLSSA-N 1 0 223.324 0.464 10 0 BCAERO C[C@H](N[C@@H]1C[NH2+]C[C@@H](C)C1)c1cn(C)nn1 ZINC000720604326 712857950 /nfs/dbraw/zinc/85/79/50/712857950.db2.gz ZPNPDFRZQDSYMP-GUBZILKMSA-N 1 0 223.324 0.464 10 0 BCAERO C[C@H](N[C@@H](C)[C@H]1CC[NH2+]C1)c1cn(C)nn1 ZINC000720604333 712857990 /nfs/dbraw/zinc/85/79/90/712857990.db2.gz ZQONNFWRMXPSMM-GUBZILKMSA-N 1 0 223.324 0.464 10 0 BCAERO C[C@H](N[C@H]1C[NH2+]C[C@@H](C)C1)c1cn(C)nn1 ZINC000720604328 712858071 /nfs/dbraw/zinc/85/80/71/712858071.db2.gz ZPNPDFRZQDSYMP-LPEHRKFASA-N 1 0 223.324 0.464 10 0 BCAERO COC(=O)CCN1C[C@H]([NH3+])C(C)(C)C1 ZINC000720765931 712864147 /nfs/dbraw/zinc/86/41/47/712864147.db2.gz DLWPWEBDOPBFIM-QMMMGPOBSA-N 1 0 200.282 0.219 10 0 BCAERO C[NH2+]CCN(C[C@H](O)COC(C)C)C(C)C ZINC000720762115 712864261 /nfs/dbraw/zinc/86/42/61/712864261.db2.gz YSZZHVMHPWWZIW-LBPRGKRZSA-N 1 0 232.368 0.702 10 0 BCAERO C([C@@H]1CCCO1)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000720902259 712875653 /nfs/dbraw/zinc/87/56/53/712875653.db2.gz FFSJVQXJQJAXCB-SDDRHHMPSA-N 1 0 210.321 0.992 10 0 BCAERO C([C@@H]1CCCO1)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000720902256 712875678 /nfs/dbraw/zinc/87/56/78/712875678.db2.gz FFSJVQXJQJAXCB-QJPTWQEYSA-N 1 0 210.321 0.992 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1CCNc1nccn2cnnc12 ZINC000721028614 712887937 /nfs/dbraw/zinc/88/79/37/712887937.db2.gz REVXUSOKSRAYCJ-NXEZZACHSA-N 1 0 246.318 0.782 10 0 BCAERO C[NH2+]C[C@H](C)c1noc(-c2cn(C)cn2)n1 ZINC000721054277 712888984 /nfs/dbraw/zinc/88/89/84/712888984.db2.gz TXDYPFLOFGSPSN-ZETCQYMHSA-N 1 0 221.264 0.793 10 0 BCAERO CN1CCC(=O)C12CC[NH+](C1CC1)CC2 ZINC000685953575 538898036 /nfs/dbraw/zinc/89/80/36/538898036.db2.gz IRSCJBSUIWTEEO-UHFFFAOYSA-N 1 0 208.305 0.888 10 0 BCAERO CC[NH2+]CC[C@H](CO)[C@@H]1CCS(=O)(=O)C1 ZINC000685963602 538910654 /nfs/dbraw/zinc/91/06/54/538910654.db2.gz UASIUXHOPNNDEL-NXEZZACHSA-N 1 0 235.349 0.029 10 0 BCAERO CCN1CCC(=O)[C@@]12C[NH+]1CCC2CC1 ZINC000685955211 538900411 /nfs/dbraw/zinc/90/04/11/538900411.db2.gz WHFKKSGHIDKFPJ-LBPRGKRZSA-N 1 0 208.305 0.746 10 0 BCAERO CC(C)N1CC[C@H]([NH3+])C12CCS(=O)(=O)CC2 ZINC000685955376 538900556 /nfs/dbraw/zinc/90/05/56/538900556.db2.gz YQTFPWLGKVPSCC-JTQLQIEISA-N 1 0 246.376 0.375 10 0 BCAERO C[C@@H]1C[C@@H](S(C)(=O)=O)CC[C@@H]1C[NH3+] ZINC000685955167 538900596 /nfs/dbraw/zinc/90/05/96/538900596.db2.gz VMSXJVFWIZEWAJ-HLTSFMKQSA-N 1 0 205.323 0.795 10 0 BCAERO CC(C)[N@@H+]1CC[C@H](N)[C@@]12CN1CCC2CC1 ZINC000685955216 538900756 /nfs/dbraw/zinc/90/07/56/538900756.db2.gz WITDNCHBQACLQS-STQMWFEESA-N 1 0 223.364 0.892 10 0 BCAERO CCN1CCC(=O)[C@]12C[NH+]1CCC2CC1 ZINC000685955210 538900923 /nfs/dbraw/zinc/90/09/23/538900923.db2.gz WHFKKSGHIDKFPJ-GFCCVEGCSA-N 1 0 208.305 0.746 10 0 BCAERO COC[C@@H](COCC(F)(F)C[NH3+])OC ZINC000685955479 538901063 /nfs/dbraw/zinc/90/10/63/538901063.db2.gz FBPAGDWQSNQRBG-ZETCQYMHSA-N 1 0 213.224 0.258 10 0 BCAERO CC(C)NCC(F)(F)Cn1ccnn1 ZINC000685957016 538903545 /nfs/dbraw/zinc/90/35/45/538903545.db2.gz PZSSBYOVKJFVLD-UHFFFAOYSA-N 1 0 204.224 0.911 10 0 BCAERO [NH3+]CC(=O)Cc1ncc(Br)s1 ZINC000685959392 538906662 /nfs/dbraw/zinc/90/66/62/538906662.db2.gz UALMTEAOIDPGEU-UHFFFAOYSA-N 1 0 235.106 0.976 10 0 BCAERO CC(C)[C@]1(CO)C[C@@H]1C[NH2+][C@H](C)CO ZINC000685960988 538908090 /nfs/dbraw/zinc/90/80/90/538908090.db2.gz KSONQWSXLFOWKJ-GMTAPVOTSA-N 1 0 201.310 0.611 10 0 BCAERO CC(C)[C@@]1(CO)C[C@H]1C[NH2+][C@H](C)CO ZINC000685960991 538908144 /nfs/dbraw/zinc/90/81/44/538908144.db2.gz KSONQWSXLFOWKJ-VWYCJHECSA-N 1 0 201.310 0.611 10 0 BCAERO COCC[NH2+]CC[C@@H](CO)C1CCOCC1 ZINC000685961511 538908570 /nfs/dbraw/zinc/90/85/70/538908570.db2.gz SHMITEZNPMAJPS-LBPRGKRZSA-N 1 0 231.336 0.648 10 0 BCAERO COCC[NH2+]CC[C@@H](CO)[C@@H]1CCOC1 ZINC000685961848 538908712 /nfs/dbraw/zinc/90/87/12/538908712.db2.gz WXNWOHOADPJWPR-WDEREUQCSA-N 1 0 217.309 0.258 10 0 BCAERO CC(C)[C@@]1(CO)C[C@@H]1C[NH+]1CCN(C)CC1 ZINC000685961427 538908823 /nfs/dbraw/zinc/90/88/23/538908823.db2.gz RLUMJXXIBWWEEA-OLZOCXBDSA-N 1 0 226.364 0.888 10 0 BCAERO CC1(C)OC[C@H]([C@@H](CO)CC[NH2+]C2CC2)O1 ZINC000685963048 538909818 /nfs/dbraw/zinc/90/98/18/538909818.db2.gz FNLHHMSANMVLNX-MWLCHTKSSA-N 1 0 229.320 0.889 10 0 BCAERO C[NH2+]CC[C@H](CO)[C@H]1COC(C)(C)O1 ZINC000685963305 538909871 /nfs/dbraw/zinc/90/98/71/538909871.db2.gz LQIGMTYRKAGTKT-RKDXNWHRSA-N 1 0 203.282 0.356 10 0 BCAERO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)[C@H]1CCOC1)C2 ZINC000685952485 538896527 /nfs/dbraw/zinc/89/65/27/538896527.db2.gz MVGWOPBKXIYEES-NAKRPEOUSA-N 1 0 224.304 0.361 10 0 BCAERO CC(C)Cn1nnnc1C12CC(C1)C[NH2+]2 ZINC000685952433 538896592 /nfs/dbraw/zinc/89/65/92/538896592.db2.gz KUXJOKQTPKRZFB-UHFFFAOYSA-N 1 0 207.281 0.538 10 0 BCAERO Cc1cc(C)nc(NC[C@@H]2C[NH2+]CCO2)n1 ZINC000227786494 177943699 /nfs/dbraw/zinc/94/36/99/177943699.db2.gz JNTRFBCCNZYRKL-JTQLQIEISA-N 1 0 222.292 0.494 10 0 BCAERO FC(F)(F)[C@H]([C@H]1CCOC1)N1CC[NH2+]CC1 ZINC000685965180 538911590 /nfs/dbraw/zinc/91/15/90/538911590.db2.gz SAENJZDSPXCBGD-IUCAKERBSA-N 1 0 238.253 0.859 10 0 BCAERO N[C@@H]1CS(=O)(=O)c2cc(F)ccc21 ZINC000685965657 538912644 /nfs/dbraw/zinc/91/26/44/538912644.db2.gz NSPPSDQIECTAKR-SSDOTTSWSA-N 1 0 201.222 0.613 10 0 BCAERO CCC(CC)(C[NH3+])C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000062967613 168321070 /nfs/dbraw/zinc/32/10/70/168321070.db2.gz GLMNMQGFLGNLIF-LLVKDONJSA-N 1 0 241.379 0.914 10 0 BCAERO [NH3+]CCN1CC[C@@H](Nc2ccccn2)C1 ZINC000616612028 349468079 /nfs/dbraw/zinc/46/80/79/349468079.db2.gz MBJIXKDQBHMFSE-SNVBAGLBSA-N 1 0 206.293 0.527 10 0 BCAERO CCC(CC)(CO)CNC(=O)[C@@H]([NH3+])C(C)C ZINC000182719676 168326658 /nfs/dbraw/zinc/32/66/58/168326658.db2.gz CUMYSMXFRPXAIL-JTQLQIEISA-N 1 0 230.352 0.885 10 0 BCAERO CN(Cc1cc[nH]n1)C[C@H]1CC[N@H+](C)C1 ZINC000161817223 349508553 /nfs/dbraw/zinc/50/85/53/349508553.db2.gz LLWSUJUMPFFKAA-JTQLQIEISA-N 1 0 208.309 0.793 10 0 BCAERO Cc1cncc(NC(=O)[C@@H]2C[NH2+]CCOC2)c1 ZINC000649331998 398148951 /nfs/dbraw/zinc/14/89/51/398148951.db2.gz NYOPIJVAZLVWSS-SNVBAGLBSA-N 1 0 235.287 0.565 10 0 BCAERO c1cnc(CCN2CC[N@@H+]3CCC[C@@H]3C2)cn1 ZINC000390386762 398172886 /nfs/dbraw/zinc/17/28/86/398172886.db2.gz ZUGNJPMPEPNGPQ-CYBMUJFWSA-N 1 0 232.331 0.799 10 0 BCAERO C[C@H]([NH3+])[C@H](C)N1CCC([C@H](C)O)CC1 ZINC000307511897 398173876 /nfs/dbraw/zinc/17/38/76/398173876.db2.gz LXEQDSOWDMSERX-GUBZILKMSA-N 1 0 200.326 0.815 10 0 BCAERO O[C@@H]1CCC[C@@H](C[N@@H+]2CCC[C@@H](O)C2)C1 ZINC000379880147 398175319 /nfs/dbraw/zinc/17/53/19/398175319.db2.gz VICPFRHNHIISBY-IJLUTSLNSA-N 1 0 213.321 0.994 10 0 BCAERO Cc1nn(C)cc1C(=O)[C@@H]1CCC[NH2+]C1 ZINC000306698878 398176094 /nfs/dbraw/zinc/17/60/94/398176094.db2.gz CYINDUOSTQDFCT-SECBINFHSA-N 1 0 207.277 0.911 10 0 BCAERO COc1cccc([C@@H](CO)[NH2+]C[C@@H](C)O)c1 ZINC000390485660 398176650 /nfs/dbraw/zinc/17/66/50/398176650.db2.gz OONBBLKQODTTLI-BXKDBHETSA-N 1 0 225.288 0.699 10 0 BCAERO COC[C@H](C)CC(=O)N1CC[C@@H]([NH3+])[C@H]1C ZINC000379993505 398179854 /nfs/dbraw/zinc/17/98/54/398179854.db2.gz YWSSGAKTLQHYHZ-OPRDCNLKSA-N 1 0 214.309 0.607 10 0 BCAERO C[C@@H]1C[C@@H](C)N(C(=O)[C@@H]2C[NH2+]CCOC2)C1 ZINC000643711515 398180290 /nfs/dbraw/zinc/18/02/90/398180290.db2.gz UKWDWQZXKJGWFF-GMTAPVOTSA-N 1 0 226.320 0.479 10 0 BCAERO Cc1cc(C[C@@H]2C[NH2+]CCN2)ccc1O ZINC000039105538 178056911 /nfs/dbraw/zinc/05/69/11/178056911.db2.gz CNMHWRVCDRUEDR-LLVKDONJSA-N 1 0 206.289 0.805 10 0 BCAERO CC(C)[C@@H]([NH3+])CC(=O)NCCCC(=O)N(C)C ZINC000390183369 398162772 /nfs/dbraw/zinc/16/27/72/398162772.db2.gz QUWDCDZTHUJKLL-JTQLQIEISA-N 1 0 243.351 0.344 10 0 BCAERO CCS(=O)(=O)C[C@H](C)[NH2+][C@@H]1CCC[C@H](O)C1 ZINC000162230976 538921561 /nfs/dbraw/zinc/92/15/61/538921561.db2.gz FEKYRPDSFXKBMZ-AXFHLTTASA-N 1 0 249.376 0.703 10 0 BCAERO c1ccc2[nH]c(NC[C@@H]3C[NH2+]CCCO3)nc2c1 ZINC000390164035 398165202 /nfs/dbraw/zinc/16/52/02/398165202.db2.gz AVMNOXFWKXICKQ-JTQLQIEISA-N 1 0 246.314 0.775 10 0 BCAERO C[C@H]1CCC[N@@H+]([C@H](C[NH3+])C(=O)[O-])CC1 ZINC000252120223 398185545 /nfs/dbraw/zinc/18/55/45/398185545.db2.gz JFIZPSSDBWAHLL-DTWKUNHWSA-N 1 0 200.282 0.520 10 0 BCAERO Cc1cc(F)ccc1S(=O)(=O)N[C@H]1C[C@H]1[NH3+] ZINC000036264786 178092402 /nfs/dbraw/zinc/09/24/02/178092402.db2.gz MVHRRIMRMCOJTF-BDAKNGLRSA-N 1 0 244.291 0.512 10 0 BCAERO Cc1cc(N(CCC[NH3+])C(C)C)n2ncnc2n1 ZINC000035663718 178101881 /nfs/dbraw/zinc/10/18/81/178101881.db2.gz GOTYMOXZRQQXJI-UHFFFAOYSA-N 1 0 248.334 0.996 10 0 BCAERO CC1(C[N@@H+]2CCC[C@@](O)(C(N)=O)C2)CCC1 ZINC000309323572 136218049 /nfs/dbraw/zinc/21/80/49/136218049.db2.gz HPWOGIUETWAGPI-LBPRGKRZSA-N 1 0 226.320 0.489 10 0 BCAERO CCCN(CCC)[C@H]1C[NH2+]CC[C@@H]1O ZINC000536954164 398198027 /nfs/dbraw/zinc/19/80/27/398198027.db2.gz JUXWMLDGMISOHT-QWRGUYRKSA-N 1 0 200.326 0.831 10 0 BCAERO Cc1n[nH]cc1C(=O)N1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000638892766 398203711 /nfs/dbraw/zinc/20/37/11/398203711.db2.gz XJLUIEQXDMTVKY-APPZFPTMSA-N 1 0 222.292 0.385 10 0 BCAERO [NH3+]C[C@H]1CN(c2ccnc3cccnc32)CCO1 ZINC000386301434 398205183 /nfs/dbraw/zinc/20/51/83/398205183.db2.gz DXAHXGMBVIRBPQ-JTQLQIEISA-N 1 0 244.298 0.794 10 0 BCAERO C[N@@H+]1CCC[C@H]1CN1C[C@@H](CO)OC(C)(C)C1 ZINC000386327828 398205881 /nfs/dbraw/zinc/20/58/81/398205881.db2.gz OYPILGVNTOBAMY-RYUDHWBXSA-N 1 0 242.363 0.552 10 0 BCAERO CN(Cc1ccccc1)[C@H]1C[NH2+]C[C@@H]1O ZINC000082524373 136221601 /nfs/dbraw/zinc/22/16/01/136221601.db2.gz WGUJMAHZWGJPKY-RYUDHWBXSA-N 1 0 206.289 0.451 10 0 BCAERO C[C@@H]1CC[C@@H](C(=O)c2cn(C)nn2)C[NH2+]1 ZINC000306590117 398214558 /nfs/dbraw/zinc/21/45/58/398214558.db2.gz XQFOMGBKTJAKTH-HTQZYQBOSA-N 1 0 208.265 0.386 10 0 BCAERO Cc1cc(NC(=O)[C@@H](C)C2C[NH2+]C2)no1 ZINC000129032757 178144111 /nfs/dbraw/zinc/14/41/11/178144111.db2.gz HDDABZIGEPWFJM-ZETCQYMHSA-N 1 0 209.249 0.777 10 0 BCAERO Cc1cnc(N2CCO[C@@H]([C@@H](C)[NH3+])C2)nc1C ZINC000386688114 398216980 /nfs/dbraw/zinc/21/69/80/398216980.db2.gz RFTCFOPPDKHOEQ-MWLCHTKSSA-N 1 0 236.319 0.646 10 0 BCAERO CN(C[C@H]1CSCC[NH2+]1)[C@@H]1CCOC1 ZINC000127187927 398212117 /nfs/dbraw/zinc/21/21/17/398212117.db2.gz XXNAPOCBKWNCJA-VHSXEESVSA-N 1 0 216.350 0.412 10 0 BCAERO [NH3+]CC[C@@]1(O)CCCC2(C1)OCCO2 ZINC000606275743 538929915 /nfs/dbraw/zinc/92/99/15/538929915.db2.gz JUOCQTXVNZPPAC-VIFPVBQESA-N 1 0 201.266 0.383 10 0 BCAERO CC[C@@H](C)NC(=O)C[NH2+][C@H](C)COC ZINC000020041803 538929980 /nfs/dbraw/zinc/92/99/80/538929980.db2.gz ZGSXCVUBHIXTQY-RKDXNWHRSA-N 1 0 202.298 0.526 10 0 BCAERO CCc1cnc(CN2CCO[C@@H]3C[NH2+]C[C@@H]32)o1 ZINC000576403841 365587960 /nfs/dbraw/zinc/58/79/60/365587960.db2.gz ZFCIUPYQXLGIFI-WDEREUQCSA-N 1 0 237.303 0.410 10 0 BCAERO CCC(CC)CN(CC(=O)OC)C(=O)C[NH2+]C ZINC000037812179 168348702 /nfs/dbraw/zinc/34/87/02/168348702.db2.gz VZMPUQPZPPEYTL-UHFFFAOYSA-N 1 0 244.335 0.644 10 0 BCAERO COCCCNC(=O)[C@H]1CCC[C@@H]1[NH3+] ZINC000082920426 136222094 /nfs/dbraw/zinc/22/20/94/136222094.db2.gz CWXUBKBBHAWESL-IUCAKERBSA-N 1 0 200.282 0.267 10 0 BCAERO C[C@@H]1CN(C)CC[N@@H+]1C[C@@H]1CCCC1=O ZINC000235482806 343986390 /nfs/dbraw/zinc/98/63/90/343986390.db2.gz OBHCLYGDVLUGLA-MNOVXSKESA-N 1 0 210.321 0.992 10 0 BCAERO CCC(CC)CN(CC(=O)OC)C(=O)[C@H](C)[NH3+] ZINC000037812171 168349319 /nfs/dbraw/zinc/34/93/19/168349319.db2.gz GONPTIJTNKYFAR-VIFPVBQESA-N 1 0 244.335 0.771 10 0 BCAERO CCC(CC)C[N@@H+]1C[C@@H](O)C[C@@H]1CO ZINC000370395792 168353409 /nfs/dbraw/zinc/35/34/09/168353409.db2.gz JAWYRGFPWMMLPI-MNOVXSKESA-N 1 0 201.310 0.850 10 0 BCAERO C[C@@H]([NH3+])C(=O)N1CCSCC[C@@H]1C ZINC000306642182 361758441 /nfs/dbraw/zinc/75/84/41/361758441.db2.gz RYBCUNNJBIFKGM-JGVFFNPUSA-N 1 0 202.323 0.688 10 0 BCAERO CCCN(CC(C)C)C(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000381223344 398235976 /nfs/dbraw/zinc/23/59/76/398235976.db2.gz HPLAQVKCYNZZKP-GHMZBOCLSA-N 1 0 228.336 0.604 10 0 BCAERO Cc1cc([C@@H]2NC(=O)CC[C@@H]2[NH3+])c(C)n1C ZINC000238854943 178243137 /nfs/dbraw/zinc/24/31/37/178243137.db2.gz PTKZVLQWXWDTNY-JQWIXIFHSA-N 1 0 221.304 0.920 10 0 BCAERO CCN1CCO[C@@H](C[NH2+][C@@H](COC)C2CC2)C1 ZINC000165259370 538935225 /nfs/dbraw/zinc/93/52/25/538935225.db2.gz YMFAKPSGDQZYKL-STQMWFEESA-N 1 0 242.363 0.722 10 0 BCAERO COCC(=O)N1CC[C@H](CC(C)C)[C@H]([NH3+])C1 ZINC000616568728 538938075 /nfs/dbraw/zinc/93/80/75/538938075.db2.gz CWQXVEGZARPDEZ-GHMZBOCLSA-N 1 0 228.336 0.855 10 0 BCAERO CC[NH2+][C@H](C)CNc1nc(C)cc(OC)n1 ZINC000387430985 398242885 /nfs/dbraw/zinc/24/28/85/398242885.db2.gz IHWOYRZKTNIFFC-SECBINFHSA-N 1 0 224.308 0.625 10 0 BCAERO C[C@H]([NH3+])CNc1ccc(S(C)(=O)=O)cc1F ZINC000381254808 398244212 /nfs/dbraw/zinc/24/42/12/398244212.db2.gz PPTWYYLXHGEYTI-ZETCQYMHSA-N 1 0 246.307 0.988 10 0 BCAERO COc1c(C[NH2+]C[C@H]2CCOC2)c(C)nn1C ZINC000134144795 398240465 /nfs/dbraw/zinc/24/04/65/398240465.db2.gz KCFWPHZJXPZKNV-SNVBAGLBSA-N 1 0 239.319 0.863 10 0 BCAERO COC[C@H](C)C(=O)N[C@H]1CCC[NH2+][C@@H]1C ZINC000193623560 136228866 /nfs/dbraw/zinc/22/88/66/136228866.db2.gz RGHKJKBCQGRHDE-AEJSXWLSSA-N 1 0 214.309 0.526 10 0 BCAERO C[C@H]1CN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CCS1 ZINC000381584483 398254328 /nfs/dbraw/zinc/25/43/28/398254328.db2.gz GVNUHGFPUKYSET-AXTSPUMRSA-N 1 0 226.345 0.416 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)N1CCO[C@H](C)[C@@H]1C ZINC000380578185 398251241 /nfs/dbraw/zinc/25/12/41/398251241.db2.gz MFVZAGGLSQZYPG-HBNTYKKESA-N 1 0 228.336 0.996 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)N1CCO[C@@H](C)[C@@H]1C ZINC000380578182 398251249 /nfs/dbraw/zinc/25/12/49/398251249.db2.gz MFVZAGGLSQZYPG-GARJFASQSA-N 1 0 228.336 0.996 10 0 BCAERO CCC(CC)N(C)C(=O)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000036789276 168367182 /nfs/dbraw/zinc/36/71/82/168367182.db2.gz ZVLJTYQYMQLCAK-ZJUUUORDSA-N 1 0 214.309 0.356 10 0 BCAERO CCC(CC)N(C)C(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000036789275 168367242 /nfs/dbraw/zinc/36/72/42/168367242.db2.gz ZVLJTYQYMQLCAK-VHSXEESVSA-N 1 0 214.309 0.356 10 0 BCAERO CC1(C)CCC[NH2+][C@H]1C(=O)NC[C@@H]1CCOC1 ZINC000232936012 136230071 /nfs/dbraw/zinc/23/00/71/136230071.db2.gz JOWQLBMXMRONGK-QWRGUYRKSA-N 1 0 240.347 0.917 10 0 BCAERO CC[NH2+][C@H]1CCN(S(C)(=O)=O)C[C@H]1CC ZINC000168070901 538944774 /nfs/dbraw/zinc/94/47/74/538944774.db2.gz ILHQDFGCTBDQAF-ZJUUUORDSA-N 1 0 234.365 0.656 10 0 BCAERO OCCN1CC[NH+](C[C@@H]2CCC[C@@H](O)C2)CC1 ZINC000383430400 398258075 /nfs/dbraw/zinc/25/80/75/398258075.db2.gz BQDVDKHMUBZYRC-CHWSQXEVSA-N 1 0 242.363 0.147 10 0 BCAERO Cc1ccc(-c2nnnn2CC[NH3+])cc1 ZINC000042199162 178342638 /nfs/dbraw/zinc/34/26/38/178342638.db2.gz TXLCRYXBYHGDJB-UHFFFAOYSA-N 1 0 203.249 0.607 10 0 BCAERO CN1CCC[C@@H]1C[N@@H+]1CCC[C@H]1CCO ZINC000386292517 398264719 /nfs/dbraw/zinc/26/47/19/398264719.db2.gz IEOPWJKXIQLTTB-NWDGAFQWSA-N 1 0 212.337 0.927 10 0 BCAERO CC[N@H+](CCCO)C[C@@H]1CCCN1C ZINC000386277685 398264136 /nfs/dbraw/zinc/26/41/36/398264136.db2.gz DHBXFQVHDZFXOG-NSHDSACASA-N 1 0 200.326 0.785 10 0 BCAERO CCC(CC)N(CCO)C(=O)[C@H]1C[NH2+]C[C@@H]1C ZINC000104214883 168374414 /nfs/dbraw/zinc/37/44/14/168374414.db2.gz XDECAAJNEOWECK-JQWIXIFHSA-N 1 0 242.363 0.851 10 0 BCAERO COc1cccc([C@@H](CO)[NH2+]CCO)c1 ZINC000033494257 538952083 /nfs/dbraw/zinc/95/20/83/538952083.db2.gz ISQPAQCYSWWLHM-LLVKDONJSA-N 1 0 211.261 0.311 10 0 BCAERO CC[NH2+][C@H](C)C(=O)N1CCCC[C@H]1C(=O)OC ZINC000602499313 349559451 /nfs/dbraw/zinc/55/94/51/349559451.db2.gz JFLQAUYFUSHTFU-ZJUUUORDSA-N 1 0 242.319 0.539 10 0 BCAERO [NH3+]CCN1CC[C@H](c2ccc(CCO)cc2)C1 ZINC000616612658 349575018 /nfs/dbraw/zinc/57/50/18/349575018.db2.gz QKEBGTQUJROFNO-AWEZNQCLSA-N 1 0 234.343 0.969 10 0 BCAERO Cc1ccc(C(=O)N2C[C@H]([NH3+])[C@@H](C)C2)n1C ZINC000235634267 178399843 /nfs/dbraw/zinc/39/98/43/178399843.db2.gz RDZKMGOJFMFSIH-WPRPVWTQSA-N 1 0 221.304 0.753 10 0 BCAERO Nc1cccc([C@H]2CCN(CC[NH3+])C2)n1 ZINC000616612729 349586846 /nfs/dbraw/zinc/58/68/46/349586846.db2.gz RANQKZSXNKHDMH-VIFPVBQESA-N 1 0 206.293 0.412 10 0 BCAERO CC1(C)OCC[C@@H]1[NH2+]C[C@H]1CNC(=O)O1 ZINC000378854967 346844900 /nfs/dbraw/zinc/84/49/00/346844900.db2.gz JJIQZUVQSVDFIT-YUMQZZPRSA-N 1 0 214.265 0.252 10 0 BCAERO COC(=O)/C=C/C(=O)O[C@H](C)C[NH+](C)C ZINC000223096261 398274579 /nfs/dbraw/zinc/27/45/79/398274579.db2.gz FVROBTGWOSPHAS-HQZHTGGTSA-N 1 0 215.249 0.209 10 0 BCAERO CC[NH+](CC)C[C@@H](O)Cn1cc(N)cn1 ZINC000036683207 538960900 /nfs/dbraw/zinc/96/09/00/538960900.db2.gz DCLKEENLCMWQJB-SNVBAGLBSA-N 1 0 212.297 0.168 10 0 BCAERO Cc1n[nH]cc1[C@H](C)[NH2+]C[C@@H]1CN(C)CCO1 ZINC000180844321 538958929 /nfs/dbraw/zinc/95/89/29/538958929.db2.gz KSVOMWJNFORDFZ-GXSJLCMTSA-N 1 0 238.335 0.699 10 0 BCAERO CCC[S@](=O)N1CC[NH2+]C[C@H](C)C1 ZINC000306644156 361831616 /nfs/dbraw/zinc/83/16/16/361831616.db2.gz YQVNNFRZYWYQNV-ZANVPECISA-N 1 0 204.339 0.601 10 0 BCAERO CCSCC[NH2+][C@@H]1CCOC[C@@H]1O ZINC000600212062 342700524 /nfs/dbraw/zinc/70/05/24/342700524.db2.gz VBFWKCZSYKNUPR-BDAKNGLRSA-N 1 0 205.323 0.479 10 0 BCAERO C[C@@H](CNC(=O)OC(C)(C)C)[C@H]([NH3+])CN ZINC000306651587 361856105 /nfs/dbraw/zinc/85/61/05/361856105.db2.gz GGLZNOJSKKDWLF-JGVFFNPUSA-N 1 0 217.313 0.433 10 0 BCAERO Cn1nccc1C[NH2+][C@H]1CCC[C@@H](O)C1 ZINC000037166237 538961725 /nfs/dbraw/zinc/96/17/25/538961725.db2.gz BFUCXWAMCWJTMI-GXSJLCMTSA-N 1 0 209.293 0.813 10 0 BCAERO CCN(C)C(=O)[C@H](C)NC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000231854086 342740577 /nfs/dbraw/zinc/74/05/77/342740577.db2.gz KKWOZHKPUYVUCD-IVZWLZJFSA-N 1 0 241.335 0.097 10 0 BCAERO CC[NH+](CC)CCCN1C(=O)C=CC1=O ZINC000003601630 342734908 /nfs/dbraw/zinc/73/49/08/342734908.db2.gz XPBULBYTUKYWDO-UHFFFAOYSA-N 1 0 210.277 0.643 10 0 BCAERO CCOCCNC(=O)C[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000183221675 538965691 /nfs/dbraw/zinc/96/56/91/538965691.db2.gz GHEZVNYMVYVLOH-MNOVXSKESA-N 1 0 244.335 0.296 10 0 BCAERO CCC[C@H](C(=O)NCC1(CO)CCC1)[NH+](C)C ZINC000183199757 538965903 /nfs/dbraw/zinc/96/59/03/538965903.db2.gz GDEQYHFWVXOUCB-LLVKDONJSA-N 1 0 242.363 0.996 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)N[C@@H](C)C(=O)N(C)CC ZINC000231855316 342740443 /nfs/dbraw/zinc/74/04/43/342740443.db2.gz URSPIVUOCHMVEO-DTWKUNHWSA-N 1 0 229.324 0.097 10 0 BCAERO Cn1cc(C[NH2+][C@@H]2CCC[C@@H](O)C2)nn1 ZINC000054860413 398284121 /nfs/dbraw/zinc/28/41/21/398284121.db2.gz LTKZDQCUNPOZAZ-PSASIEDQSA-N 1 0 210.281 0.208 10 0 BCAERO COC(=O)/C=C/C(=O)OCC[NH+]1CCCCC1 ZINC000147346746 342774313 /nfs/dbraw/zinc/77/43/13/342774313.db2.gz ADCPRMIYIZMWQG-AATRIKPKSA-N 1 0 241.287 0.745 10 0 BCAERO CC[NH2+][C@H](C)CNc1ncncc1Cl ZINC000387699942 398282897 /nfs/dbraw/zinc/28/28/97/398282897.db2.gz WYJOOXUHCYLYMU-SSDOTTSWSA-N 1 0 214.700 0.962 10 0 BCAERO O=C(NC1CCC1)[C@@H]1CSCC[NH2+]1 ZINC000126892347 342800788 /nfs/dbraw/zinc/80/07/88/342800788.db2.gz DRWNOERNPBDEGP-QMMMGPOBSA-N 1 0 200.307 0.360 10 0 BCAERO O=C(Nc1cc[nH]n1)[C@H]1CSCC[NH2+]1 ZINC000126854606 342783926 /nfs/dbraw/zinc/78/39/26/342783926.db2.gz CHPIXYYXODXQNJ-ZCFIWIBFSA-N 1 0 212.278 0.053 10 0 BCAERO CC(C)(O)C[NH2+]CCNC(=O)c1cccs1 ZINC000309713313 342799017 /nfs/dbraw/zinc/79/90/17/342799017.db2.gz XYFLFFDYKSJCHV-UHFFFAOYSA-N 1 0 242.344 0.838 10 0 BCAERO COC[C@H](C)[NH2+]CC(=O)N[C@@H](C)C(C)C ZINC000042222927 538977193 /nfs/dbraw/zinc/97/71/93/538977193.db2.gz XKAKBWYYVDJPOD-UWVGGRQHSA-N 1 0 216.325 0.772 10 0 BCAERO COC[C@@H](C)[NH2+]CC(=O)N[C@H](C)C(C)C ZINC000042222929 538977255 /nfs/dbraw/zinc/97/72/55/538977255.db2.gz XKAKBWYYVDJPOD-NXEZZACHSA-N 1 0 216.325 0.772 10 0 BCAERO [NH3+]C[C@H]1CCCN1C(=O)CCOCC(F)F ZINC000232337969 342809399 /nfs/dbraw/zinc/80/93/99/342809399.db2.gz ZGXNQBCNOCRHFH-MRVPVSSYSA-N 1 0 236.262 0.608 10 0 BCAERO Nc1ncnc(N[C@@H]2CCOC[C@@H]2O)c1Cl ZINC000624686984 342816125 /nfs/dbraw/zinc/81/61/25/342816125.db2.gz PAEQBDYDXUCPNS-RITPCOANSA-N 1 0 244.682 0.274 10 0 BCAERO C[C@@H]1CCN(S(=O)(=O)C2CC2)[C@@H]1C[NH3+] ZINC000227095294 342829448 /nfs/dbraw/zinc/82/94/48/342829448.db2.gz KZFFSGNJWBNTJR-VXNVDRBHSA-N 1 0 218.322 0.148 10 0 BCAERO CN1CCO[C@@H](CN=c2[nH]cc(Cl)s2)C1 ZINC000380361502 538989701 /nfs/dbraw/zinc/98/97/01/538989701.db2.gz YSEUKODCGCZKOB-ZETCQYMHSA-N 1 0 247.751 0.961 10 0 BCAERO O=S1CCC([NH2+][C@H]2CCCOC2)CC1 ZINC000071012662 361930532 /nfs/dbraw/zinc/93/05/32/361930532.db2.gz MRGZTCMXGFUUMN-XIRUVYRFSA-N 1 0 217.334 0.666 10 0 BCAERO CCOC[C@H](C)[NH2+]C1CCN(CCO)CC1 ZINC000381512208 539002810 /nfs/dbraw/zinc/00/28/10/539002810.db2.gz XNVHSEGIEQWYCG-NSHDSACASA-N 1 0 230.352 0.458 10 0 BCAERO Cc1nnc2n1C[C@@H]([NH2+][C@@H]1CCOC1)CC2 ZINC000381563499 539003546 /nfs/dbraw/zinc/00/35/46/539003546.db2.gz SFHARDWEOOFEDZ-VHSXEESVSA-N 1 0 222.292 0.280 10 0 BCAERO C[C@]1(C(=O)NC2C[NH2+]C2)CCCS1 ZINC000164855076 342838733 /nfs/dbraw/zinc/83/87/33/342838733.db2.gz HGIWGWICWLDRTJ-SECBINFHSA-N 1 0 200.307 0.360 10 0 BCAERO CCS(=O)(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000382468526 539009364 /nfs/dbraw/zinc/00/93/64/539009364.db2.gz AZGOYZBDTXOGRO-YUMQZZPRSA-N 1 0 206.311 0.053 10 0 BCAERO CN1CCC[C@H]1C[N@H+](CCO)C1CCC1 ZINC000386290788 539013416 /nfs/dbraw/zinc/01/34/16/539013416.db2.gz HWBJKYQFUULIPC-LBPRGKRZSA-N 1 0 212.337 0.927 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N(CC)CC(=O)N(C)C ZINC000036873440 398295629 /nfs/dbraw/zinc/29/56/29/398295629.db2.gz HCQRHPFKVCPNDN-VIFPVBQESA-N 1 0 229.324 0.051 10 0 BCAERO COC[C@H](C)[NH2+]CC(=O)N1CCC[C@@H](C)C1 ZINC000390618192 539026709 /nfs/dbraw/zinc/02/67/09/539026709.db2.gz HOWIWWCKJXFMII-MNOVXSKESA-N 1 0 228.336 0.869 10 0 BCAERO CCc1nccn1[C@@H](C)[C@H]([NH2+]C)C(N)=O ZINC000710717103 539028075 /nfs/dbraw/zinc/02/80/75/539028075.db2.gz GFIUQXFEVZQYEI-CBAPKCEASA-N 1 0 210.281 0.080 10 0 BCAERO c1ccc(-n2nnnc2NC2CC[NH2+]CC2)cc1 ZINC000036962408 398298351 /nfs/dbraw/zinc/29/83/51/398298351.db2.gz IXAZHXDTMZINSD-UHFFFAOYSA-N 1 0 244.302 0.826 10 0 BCAERO CCS(=O)(=O)NC[C@@H]1CCCC[NH2+]C1 ZINC000389220668 539015422 /nfs/dbraw/zinc/01/54/22/539015422.db2.gz NDQVDGBDFVYMLI-SECBINFHSA-N 1 0 220.338 0.315 10 0 BCAERO CC(C)(C)n1ncc2c1nc[nH+]c2NN ZINC000062203234 539015964 /nfs/dbraw/zinc/01/59/64/539015964.db2.gz GMQXGSUIMHYDQG-UHFFFAOYSA-N 1 0 206.253 0.867 10 0 BCAERO CC(C)[C@@H]([NH3+])C(=O)N[C@H]1CCC[C@H](O)C1 ZINC000037001007 398298941 /nfs/dbraw/zinc/29/89/41/398298941.db2.gz PUAXPBKHJVPPNI-LPEHRKFASA-N 1 0 214.309 0.389 10 0 BCAERO CCCCCNC(=O)C[NH2+][C@H](C)COC ZINC000389986163 539019297 /nfs/dbraw/zinc/01/92/97/539019297.db2.gz MEGFXMLXORTGIT-SNVBAGLBSA-N 1 0 216.325 0.917 10 0 BCAERO C[C@@H]1OCC[C@@H]1NC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000382022319 398300321 /nfs/dbraw/zinc/30/03/21/398300321.db2.gz QQMZCSBGPLACNV-LRPJSKTQSA-N 1 0 210.277 0.030 10 0 BCAERO [NH3+]C1CCC(C(=O)Nc2nncs2)CC1 ZINC000308514192 342852969 /nfs/dbraw/zinc/85/29/69/342852969.db2.gz RNTVSTHYKARJQJ-UHFFFAOYSA-N 1 0 226.305 0.994 10 0 BCAERO CCn1ncnc1C[C@H]1CSC[C@H]1[NH3+] ZINC000134572319 342869118 /nfs/dbraw/zinc/86/91/18/342869118.db2.gz PSIDKNUQDHSGOV-JGVFFNPUSA-N 1 0 212.322 0.531 10 0 BCAERO Cc1cc(C[C@@H]2CSC[C@H]2[NH3+])n(C)n1 ZINC000134577593 342869752 /nfs/dbraw/zinc/86/97/52/342869752.db2.gz BLRCTEYTBOYNKW-PSASIEDQSA-N 1 0 211.334 0.961 10 0 BCAERO CCC[C@H](C[NH2+]C[C@H]1CN(C)CCO1)OC ZINC000382150474 398307648 /nfs/dbraw/zinc/30/76/48/398307648.db2.gz PKTMYGZDBQTOQE-NEPJUHHUSA-N 1 0 230.352 0.722 10 0 BCAERO C[C@@H](C[NH3+])c1nc2c(c(=O)[nH]1)CSC2 ZINC000134654532 342875428 /nfs/dbraw/zinc/87/54/28/342875428.db2.gz OIKPXVOQQKKNCW-YFKPBYRVSA-N 1 0 211.290 0.579 10 0 BCAERO C[C@H]1OCC[C@H]1N(C)C(=O)C(C)(C)[NH3+] ZINC000134679510 342876230 /nfs/dbraw/zinc/87/62/30/342876230.db2.gz QTAKKCXLSZXUNJ-HTQZYQBOSA-N 1 0 200.282 0.360 10 0 BCAERO CO[C@H](C)[C@@H](C)[NH2+][C@@H]1CCCNC1=O ZINC000133035505 398309626 /nfs/dbraw/zinc/30/96/26/398309626.db2.gz QXKZUAZOGXVHDP-IWSPIJDZSA-N 1 0 200.282 0.278 10 0 BCAERO CC(C)(C)ONC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000134507199 342859644 /nfs/dbraw/zinc/85/96/44/342859644.db2.gz ANCIXYPHKTWMJB-SFYZADRCSA-N 1 0 200.282 0.960 10 0 BCAERO CC(C)(C)ONC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000134512900 342859912 /nfs/dbraw/zinc/85/99/12/342859912.db2.gz XVEGCJDTCNITMR-SFYZADRCSA-N 1 0 200.282 0.960 10 0 BCAERO CC(C)(C)ONC(=O)[C@H]1CCC[NH2+]C1 ZINC000134510684 342860009 /nfs/dbraw/zinc/86/00/09/342860009.db2.gz LQWKZMFCDQWDFP-QMMMGPOBSA-N 1 0 200.282 0.832 10 0 BCAERO CCS(=O)(=O)N1CCC[C@H](C)[C@@H]1[NH3+] ZINC000233837648 342888986 /nfs/dbraw/zinc/88/89/86/342888986.db2.gz YADAHGIZLHPOIT-JGVFFNPUSA-N 1 0 206.311 0.353 10 0 BCAERO C[S@@](=O)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000401690654 342906240 /nfs/dbraw/zinc/90/62/40/342906240.db2.gz ZXZSGZMEUIFZQO-AMIZOPFISA-N 1 0 202.323 0.544 10 0 BCAERO C[C@H]1C[C@H]([N@H+](C)C(C)(C)CO)CN1C ZINC000134874349 342913459 /nfs/dbraw/zinc/91/34/59/342913459.db2.gz WKTCTSHLQMLGJD-UWVGGRQHSA-N 1 0 200.326 0.782 10 0 BCAERO C[NH2+][C@H](C)C(=O)NCCCCCOC ZINC000234428764 342925539 /nfs/dbraw/zinc/92/55/39/342925539.db2.gz MMCNJNAIVMQNAN-SECBINFHSA-N 1 0 202.298 0.527 10 0 BCAERO C[NH2+][C@H](C)C(=O)N[C@H]1C[C@@H](OC)C1(C)C ZINC000234432671 342925556 /nfs/dbraw/zinc/92/55/56/342925556.db2.gz NSGSPSCGEDGDFA-HRDYMLBCSA-N 1 0 214.309 0.524 10 0 BCAERO CC(C)[NH2+]CC(=O)N[C@@H](C)[C@@H]1CCCO1 ZINC000037477149 488186609 /nfs/dbraw/zinc/18/66/09/488186609.db2.gz NTGOGWMPYJSNKV-UWVGGRQHSA-N 1 0 214.309 0.668 10 0 BCAERO CN(Cc1c[nH]cn1)C[C@@H]1CCC[NH2+]C1 ZINC000234327984 342921355 /nfs/dbraw/zinc/92/13/55/342921355.db2.gz OFZJHQGMAOMFNS-SNVBAGLBSA-N 1 0 208.309 0.841 10 0 BCAERO COCCC(C)(C)CNC(=O)[C@H]1CC[NH2+]C1 ZINC000234594376 342930629 /nfs/dbraw/zinc/93/06/29/342930629.db2.gz LBBCWYHTHPUFPM-JTQLQIEISA-N 1 0 228.336 0.775 10 0 BCAERO C[NH2+]CCCC(=O)N[C@@H]1CCC[C@H](O)C1 ZINC000037477818 398328034 /nfs/dbraw/zinc/32/80/34/398328034.db2.gz NYCJZDQSFFRUJB-ZJUUUORDSA-N 1 0 214.309 0.406 10 0 BCAERO COC(=O)c1ccc(N2C[C@@H](C)[C@@H]([NH3+])C2)nc1C ZINC000234601749 342932719 /nfs/dbraw/zinc/93/27/19/342932719.db2.gz QXIVBGYAAHYSKC-KCJUWKMLSA-N 1 0 249.314 0.960 10 0 BCAERO C[C@@H]([NH3+])CC(=O)NCC[C@H]1CCCO1 ZINC000038097066 398335989 /nfs/dbraw/zinc/33/59/89/398335989.db2.gz IALPUTXUSPAKFW-RKDXNWHRSA-N 1 0 200.282 0.409 10 0 BCAERO [NH3+]CCCC(=O)NCC[C@@H]1CCCO1 ZINC000038096886 398336016 /nfs/dbraw/zinc/33/60/16/398336016.db2.gz IVGTXUQUISZAIN-VIFPVBQESA-N 1 0 200.282 0.411 10 0 BCAERO CC(C)[C@@H]([NH3+])C(=O)NCC[C@@H]1CCCO1 ZINC000038096910 398336020 /nfs/dbraw/zinc/33/60/20/398336020.db2.gz TXXAMQUZURZCSZ-VHSXEESVSA-N 1 0 214.309 0.655 10 0 BCAERO O=C(C[NH2+]C1CC1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000037815458 398334447 /nfs/dbraw/zinc/33/44/47/398334447.db2.gz KYKZXWMDJMERGI-RYUDHWBXSA-N 1 0 238.331 0.908 10 0 BCAERO COC[C@@H](C)[NH2+]C[C@H](O)COC(C)(C)C ZINC000037847451 398334937 /nfs/dbraw/zinc/33/49/37/398334937.db2.gz BVOQEYCKWOBIEN-ZJUUUORDSA-N 1 0 219.325 0.787 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)NCc1ccc(=O)[nH]c1 ZINC000392745195 398335128 /nfs/dbraw/zinc/33/51/28/398335128.db2.gz YOBOBKQWQRWRNI-WDEREUQCSA-N 1 0 249.314 0.778 10 0 BCAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]CCc1ccccn1 ZINC000392850503 398335679 /nfs/dbraw/zinc/33/56/79/398335679.db2.gz DXSXZQRWCIYFPB-CMPLNLGQSA-N 1 0 233.315 0.881 10 0 BCAERO COC[C@@H]([NH3+])C(=O)Nc1cnn(C(C)(C)C)c1 ZINC000262323983 536673060 /nfs/dbraw/zinc/67/30/60/536673060.db2.gz QSIQIWLFKCZTBJ-SECBINFHSA-N 1 0 240.307 0.550 10 0 BCAERO C[C@@H]1[C@@H](O)CCC[N@@H+]1CC(=O)N(C)C1CC1 ZINC000335598276 398341802 /nfs/dbraw/zinc/34/18/02/398341802.db2.gz WFEUUALBEYLTTI-KOLCDFICSA-N 1 0 226.320 0.452 10 0 BCAERO CCn1c(C)nnc1CN(C)CCC[NH3+] ZINC000381459205 398344321 /nfs/dbraw/zinc/34/43/21/398344321.db2.gz KLTNMRGOEHXLSA-UHFFFAOYSA-N 1 0 211.313 0.387 10 0 BCAERO CC[C@@](C)(O)C[NH+]1CCC(CO)(OC)CC1 ZINC000401776478 529508977 /nfs/dbraw/zinc/50/89/77/529508977.db2.gz SRGVZEGFXKRIOQ-LLVKDONJSA-N 1 0 231.336 0.621 10 0 BCAERO COc1cc(C)nc(N2CC[C@@H]3C[NH2+]C[C@H]3C2)n1 ZINC000261554099 536699943 /nfs/dbraw/zinc/69/99/43/536699943.db2.gz ARRXNBUOBAYTOI-MNOVXSKESA-N 1 0 248.330 0.839 10 0 BCAERO Nc1ncccc1C(=O)[C@@H]1CCCC[NH2+]1 ZINC000167707550 346901301 /nfs/dbraw/zinc/90/13/01/346901301.db2.gz GYRWUQMJCMVNIY-VIFPVBQESA-N 1 0 205.261 0.989 10 0 BCAERO CCN1CCC[C@@H]1C[NH2+]CC(=O)N(C)C ZINC000020054264 342967413 /nfs/dbraw/zinc/96/74/13/342967413.db2.gz YBQBTVSSJOXAQA-SNVBAGLBSA-N 1 0 213.325 0.149 10 0 BCAERO O=C1C[C@H]([NH2+]Cc2ccccc2)[C@@H](CO)N1 ZINC000213595056 344019897 /nfs/dbraw/zinc/01/98/97/344019897.db2.gz PVJCKBMYQWZXRA-WDEREUQCSA-N 1 0 220.272 0.026 10 0 BCAERO CCC([NH3+])(CC)CNc1ccc(C(N)=O)nn1 ZINC000130088461 168416914 /nfs/dbraw/zinc/41/69/14/168416914.db2.gz AXWDWGTUCJWWET-UHFFFAOYSA-N 1 0 237.307 0.505 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)N2C[C@@H](C)[C@@H]([NH3+])C2)O1 ZINC000235345188 343010998 /nfs/dbraw/zinc/01/09/98/343010998.db2.gz DICJFTDVLAIDII-DOLQZWNJSA-N 1 0 212.293 0.360 10 0 BCAERO C[C@H](C[S@@](C)=O)[NH2+]C[C@@H](O)C(C)(C)C ZINC000308560944 259339985 /nfs/dbraw/zinc/33/99/85/259339985.db2.gz VZLHRBLUQMOFFY-RFXMVYNHSA-N 1 0 221.366 0.750 10 0 BCAERO Cn1ncc(Cl)c1C[NH2+][C@@H]1C[C@H]1CO ZINC000308501836 259340122 /nfs/dbraw/zinc/34/01/22/259340122.db2.gz AFRLTSAUIWUEOR-POYBYMJQSA-N 1 0 215.684 0.544 10 0 BCAERO CC(C)[C@@H](O)C[NH2+]C[C@H](O)C(C)(C)C ZINC000308542442 259340421 /nfs/dbraw/zinc/34/04/21/259340421.db2.gz NBXROGHCRKDOQC-UWVGGRQHSA-N 1 0 203.326 1.000 10 0 BCAERO CC(C)(O)C[NH2+]Cc1cc(C(N)=O)co1 ZINC000308988067 259341188 /nfs/dbraw/zinc/34/11/88/259341188.db2.gz KHQCVUKECLGXNQ-UHFFFAOYSA-N 1 0 212.249 0.239 10 0 BCAERO [NH3+][C@H]1CCC[C@@H]1OC(=O)N1CCOCC1 ZINC000131779825 259342276 /nfs/dbraw/zinc/34/22/76/259342276.db2.gz YWYWQKCUJBQLAP-IUCAKERBSA-N 1 0 214.265 0.335 10 0 BCAERO CC[C@H](C)[C@@H]([NH3+])C(=O)N(C)[C@H]1C[C@@H](C(N)=O)C1 ZINC000638697171 352535102 /nfs/dbraw/zinc/53/51/02/352535102.db2.gz FQVZSEIRRBYIIR-AXTSPUMRSA-N 1 0 241.335 0.082 10 0 BCAERO Nc1ccc(N2CCN3CCCC[C@@H]3C2=O)cn1 ZINC000118589058 343050205 /nfs/dbraw/zinc/05/02/05/343050205.db2.gz LQPPBDSKWIFZOF-LLVKDONJSA-N 1 0 246.314 0.865 10 0 BCAERO Cc1cnc(C(=O)N2C[C@H](C)[C@H]([NH3+])C2)cn1 ZINC000235677085 343055253 /nfs/dbraw/zinc/05/52/53/343055253.db2.gz ZRSKQDKYUCDKSI-IONNQARKSA-N 1 0 220.276 0.204 10 0 BCAERO C[C@H]1C[C@@H](NC(=O)[C@@H]2CC[NH2+]C2)CCO1 ZINC000235674183 343055294 /nfs/dbraw/zinc/05/52/94/343055294.db2.gz DXLSTLIYCPLNQV-AEJSXWLSSA-N 1 0 212.293 0.280 10 0 BCAERO NC(=S)C[N@@H+]1CCO[C@@H]2CCC[C@H]21 ZINC000043425439 343066953 /nfs/dbraw/zinc/06/69/53/343066953.db2.gz KSNTXMSSLCAQSC-HTQZYQBOSA-N 1 0 200.307 0.526 10 0 BCAERO C[C@H](O)CNC(=O)[C@@]1(C)CCC[C@@H]1[NH3+] ZINC000134929820 343079156 /nfs/dbraw/zinc/07/91/56/343079156.db2.gz QPLFHOJLYVBVDD-NRPADANISA-N 1 0 200.282 0.001 10 0 BCAERO Brc1cnc(C2C[NH2+]C2)nc1 ZINC000575513512 343079868 /nfs/dbraw/zinc/07/98/68/343079868.db2.gz CYBRXBADVQMUFD-UHFFFAOYSA-N 1 0 214.066 0.926 10 0 BCAERO C[C@H]1[NH2+]CCC[C@@H]1C(=O)c1ncnn1C ZINC000306668953 362027708 /nfs/dbraw/zinc/02/77/08/362027708.db2.gz GIONWXHHWAMBJH-SFYZADRCSA-N 1 0 208.265 0.386 10 0 BCAERO CC[NH2+]C[C@H](O)C[C@](C)(O)C1CCOCC1 ZINC000584883006 343085749 /nfs/dbraw/zinc/08/57/49/343085749.db2.gz DRDPCGQCFWBNGJ-NEPJUHHUSA-N 1 0 231.336 0.525 10 0 BCAERO C[NH2+][C@H](C)C(=O)NCC1CCOCC1 ZINC000082545479 362056862 /nfs/dbraw/zinc/05/68/62/362056862.db2.gz WRSMEKYRCPRTGO-MRVPVSSYSA-N 1 0 200.282 0.137 10 0 BCAERO C[NH2+][C@H](C)C(=O)N(C)CC1CCOCC1 ZINC000082545457 362057051 /nfs/dbraw/zinc/05/70/51/362057051.db2.gz BKOZAMFBEQQEET-SECBINFHSA-N 1 0 214.309 0.479 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000236962391 343116079 /nfs/dbraw/zinc/11/60/79/343116079.db2.gz RORXKMAGFTWYFA-VHSXEESVSA-N 1 0 213.325 0.230 10 0 BCAERO C[C@@H](C(N)=S)[N@@H+]1CCOCC1(C)C ZINC000043514331 343116510 /nfs/dbraw/zinc/11/65/10/343116510.db2.gz YSIXMMNTGBTHMX-ZETCQYMHSA-N 1 0 202.323 0.772 10 0 BCAERO [NH3+]C1CCN(CC(=O)Nc2cccnc2)CC1 ZINC000092713479 343148371 /nfs/dbraw/zinc/14/83/71/343148371.db2.gz WZLMALPQPJKTON-UHFFFAOYSA-N 1 0 234.303 0.443 10 0 BCAERO O=C(N[C@@H]1CCC[C@@H](O)C1)[C@H]1CC[NH2+]C1 ZINC000250677148 343123266 /nfs/dbraw/zinc/12/32/66/343123266.db2.gz WWGAIBPYRKYLQQ-IVZWLZJFSA-N 1 0 212.293 0.016 10 0 BCAERO Cc1cc(N2CC[NH+](C)CC2)ncc1N ZINC000036250878 343143115 /nfs/dbraw/zinc/14/31/15/343143115.db2.gz SVAFFLIUWPDVDW-UHFFFAOYSA-N 1 0 206.293 0.724 10 0 BCAERO COC(=O)[C@@H](NC(=O)[C@@H]([NH3+])C(C)C)C(C)C ZINC000037028520 343143809 /nfs/dbraw/zinc/14/38/09/343143809.db2.gz CSDAFRYXLWXWCD-IUCAKERBSA-N 1 0 230.308 0.284 10 0 BCAERO CC(C)(C(=O)Nc1cn[nH]c1)N1CC[NH2+]CC1 ZINC000131220017 343183122 /nfs/dbraw/zinc/18/31/22/343183122.db2.gz KFNPGNLXCUQHRG-UHFFFAOYSA-N 1 0 237.307 0.032 10 0 BCAERO CC(C)(C(=O)Nc1ccccn1)N1CC[NH2+]CC1 ZINC000131188314 343183419 /nfs/dbraw/zinc/18/34/19/343183419.db2.gz FGIXHBLFVJETAT-UHFFFAOYSA-N 1 0 248.330 0.704 10 0 BCAERO CCc1cc(N2CCN(C)C[C@@H]2C[NH3+])nc(C)n1 ZINC000122792068 343160794 /nfs/dbraw/zinc/16/07/94/343160794.db2.gz NRXQUBRWDHZFTM-LBPRGKRZSA-N 1 0 249.362 0.427 10 0 BCAERO CC[C@H](C)[N@H+](CCO)C[C@@H]1CNC(=O)O1 ZINC000379919589 365735690 /nfs/dbraw/zinc/73/56/90/365735690.db2.gz RCKPCICTXCDVKI-IUCAKERBSA-N 1 0 216.281 0.188 10 0 BCAERO C[NH+](C)[C@H]1CCN(C(=O)c2ccc(N)cn2)C1 ZINC000156867656 343199210 /nfs/dbraw/zinc/19/92/10/343199210.db2.gz LQVWLBAJKLYBII-JTQLQIEISA-N 1 0 234.303 0.440 10 0 BCAERO CSC[C@H](C)NC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000158428385 343200795 /nfs/dbraw/zinc/20/07/95/343200795.db2.gz NWNQXDSCPRNGMM-YIZRAAEISA-N 1 0 216.350 0.982 10 0 BCAERO CCN(Cc1ccncc1)C(=O)[C@H]([NH3+])COC ZINC000159761546 343202515 /nfs/dbraw/zinc/20/25/15/343202515.db2.gz XHVWZMGBHBVGPI-LLVKDONJSA-N 1 0 237.303 0.404 10 0 BCAERO Nc1ccc(NC(=O)[C@H]2CC[NH2+]C2)cn1 ZINC000237859530 343214139 /nfs/dbraw/zinc/21/41/39/343214139.db2.gz UBMIWIJTHUDPLD-ZETCQYMHSA-N 1 0 206.249 0.212 10 0 BCAERO [NH3+]C1(CC(=O)N[C@H]2CCC[C@H](O)C2)CC1 ZINC000398079364 488208098 /nfs/dbraw/zinc/20/80/98/488208098.db2.gz CUMSQCXFSRUBGM-IUCAKERBSA-N 1 0 212.293 0.288 10 0 BCAERO COC(=O)c1ccc(NCCC[NH3+])nc1C ZINC000133883011 343186480 /nfs/dbraw/zinc/18/64/80/343186480.db2.gz OZYFXJBCLVNIIV-UHFFFAOYSA-N 1 0 223.276 0.937 10 0 BCAERO C[NH2+][C@H](C)C(=O)N1CCS[C@H](C)[C@@H]1C ZINC000132387922 343188171 /nfs/dbraw/zinc/18/81/71/343188171.db2.gz UPRYNAWHBWBVBK-HRDYMLBCSA-N 1 0 216.350 0.947 10 0 BCAERO CC[NH2+]CCCNc1nc(OC)cc(OC)n1 ZINC000135008200 343192274 /nfs/dbraw/zinc/19/22/74/343192274.db2.gz OGVMOUHEZIEWLQ-UHFFFAOYSA-N 1 0 240.307 0.905 10 0 BCAERO Cc1cnc2ccc(NC(=O)C[NH3+])cn12 ZINC000031958913 343227061 /nfs/dbraw/zinc/22/70/61/343227061.db2.gz RRHIICLQXLUERK-UHFFFAOYSA-N 1 0 204.233 0.540 10 0 BCAERO O=C(Cc1ccccc1)NC[C@@H]1CC[NH2+]C1 ZINC000087654645 136282194 /nfs/dbraw/zinc/28/21/94/136282194.db2.gz IAWCGMGYTGELIG-GFCCVEGCSA-N 1 0 218.300 0.955 10 0 BCAERO COC[C@H]([NH3+])C(=O)Nc1ccc(O)cc1 ZINC000088003115 136282596 /nfs/dbraw/zinc/28/25/96/136282596.db2.gz VICJUAVHKCFZNU-VIFPVBQESA-N 1 0 210.233 0.304 10 0 BCAERO COC[C@H]([NH3+])C(=O)N(C)Cc1csc(C)n1 ZINC000088003904 136283080 /nfs/dbraw/zinc/28/30/80/136283080.db2.gz GTBWWOHSHKOQNJ-VIFPVBQESA-N 1 0 243.332 0.384 10 0 BCAERO COC[C@H]([NH3+])C(=O)N(C)CC1CCCC1 ZINC000088004350 136283836 /nfs/dbraw/zinc/28/38/36/136283836.db2.gz LKPVAVYCJFJFQM-JTQLQIEISA-N 1 0 214.309 0.609 10 0 BCAERO [NH3+][C@@H]1COC[C@H]1C(=O)Cc1cccnc1 ZINC000226611157 343262433 /nfs/dbraw/zinc/26/24/33/343262433.db2.gz VLRRYMVHFMMUIF-NXEZZACHSA-N 1 0 206.245 0.167 10 0 BCAERO C[C@H]1OCC[C@H]1[NH2+]CCOC[C@@H]1CCCO1 ZINC000121195611 343265064 /nfs/dbraw/zinc/26/50/64/343265064.db2.gz GCGBGPQSXFDLAY-GRYCIOLGSA-N 1 0 229.320 0.949 10 0 BCAERO CC[C@H]([NH3+])C(=O)NC[C@H]1CCCC[C@H]1O ZINC000084202244 136290850 /nfs/dbraw/zinc/29/08/50/136290850.db2.gz RSVMWWOKRSNQSY-KXUCPTDWSA-N 1 0 214.309 0.391 10 0 BCAERO C[C@]1(C(=O)NCC(F)F)CCC[C@@H]1[NH3+] ZINC000134944937 343266079 /nfs/dbraw/zinc/26/60/79/343266079.db2.gz SOWHPCWFYAAOQG-RCOVLWMOSA-N 1 0 206.236 0.885 10 0 BCAERO C[C@H]1CC[N@H+](CC2(O)CCC2)C[C@H]1CO ZINC000621366207 343279504 /nfs/dbraw/zinc/27/95/04/343279504.db2.gz HLKBYNLCNRHFFS-QWRGUYRKSA-N 1 0 213.321 0.852 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N[C@H](C(=O)OC)C(C)C ZINC000037028560 343331648 /nfs/dbraw/zinc/33/16/48/343331648.db2.gz ZNYVKKPCYXAZNY-IUCAKERBSA-N 1 0 230.308 0.428 10 0 BCAERO CO[C@H]1C[NH2+][C@H](c2nnc3cnccn32)C1 ZINC000035452344 343297177 /nfs/dbraw/zinc/29/71/77/343297177.db2.gz IXJWFCJPPOYTSV-SFYZADRCSA-N 1 0 219.248 0.174 10 0 BCAERO CC[C@H]1C[N@H+](C)CCCN1C(N)=S ZINC000234062517 343297989 /nfs/dbraw/zinc/29/79/89/343297989.db2.gz RSMOXHOIOMEYFE-QMMMGPOBSA-N 1 0 201.339 0.646 10 0 BCAERO CC(C)n1ccnc1Cn1cc(CCC[NH3+])nn1 ZINC000641050857 362164730 /nfs/dbraw/zinc/16/47/30/362164730.db2.gz GFFVZUXVUJYSHY-UHFFFAOYSA-N 1 0 248.334 0.995 10 0 BCAERO CCCNC(=O)NC[C@H]1CN(C)CCO1 ZINC000074902124 343359923 /nfs/dbraw/zinc/35/99/23/343359923.db2.gz NMUNTJAUNGZYQY-VIFPVBQESA-N 1 0 215.297 0.026 10 0 BCAERO C[C@@H]1C[C@H](C)N(S(=O)(=O)CC[NH3+])C1 ZINC000157777625 343366316 /nfs/dbraw/zinc/36/63/16/343366316.db2.gz SOEFKCBHEQPXNK-SFYZADRCSA-N 1 0 206.311 0.005 10 0 BCAERO CC1(C)CC(NC(=O)C[NH3+])CC(C)(C)N1O ZINC000201141838 343368388 /nfs/dbraw/zinc/36/83/88/343368388.db2.gz LRUPIFRVHGUWHY-UHFFFAOYSA-N 1 0 228.316 0.428 10 0 BCAERO CC(C)[N@@H+]1CCO[C@@H](Cn2cncn2)C1 ZINC000070941859 343338974 /nfs/dbraw/zinc/33/89/74/343338974.db2.gz UBEQTUARODNYDX-SNVBAGLBSA-N 1 0 210.281 0.387 10 0 BCAERO Cc1cnn(CCNC(=O)CC2([NH3+])CC2)c1 ZINC000398160803 488213273 /nfs/dbraw/zinc/21/32/73/488213273.db2.gz KLCXQHFBQKGVSO-UHFFFAOYSA-N 1 0 222.292 0.189 10 0 BCAERO CCc1cnc(CNC(=O)[C@H]([NH3+])COC)s1 ZINC000234144074 343345931 /nfs/dbraw/zinc/34/59/31/343345931.db2.gz AHYQSMVABRNXBJ-MRVPVSSYSA-N 1 0 243.332 0.295 10 0 BCAERO C[C@@H]1CCN(C(=O)C2([NH3+])CCOCC2)C[C@@H]1C ZINC000166226684 136314195 /nfs/dbraw/zinc/31/41/95/136314195.db2.gz JGCSSUOJYVIMMO-MNOVXSKESA-N 1 0 240.347 0.999 10 0 BCAERO COc1c(O)cc([C@@H](O)[C@@H](C)[NH3+])cc1O ZINC000039097352 343382268 /nfs/dbraw/zinc/38/22/68/343382268.db2.gz RSVRLCOQETUJCH-ANLVUFKYSA-N 1 0 213.233 0.487 10 0 BCAERO [NH3+][C@@]1(O)C(c2ccccc2)=CC=C[C@H]1O ZINC000039096274 343382574 /nfs/dbraw/zinc/38/25/74/343382574.db2.gz JVZLGWMVLXFEQM-VXGBXAGGSA-N 1 0 203.241 0.648 10 0 BCAERO [NH3+][C@H]1CCN(c2nc3ncccc3o2)C1 ZINC000039320672 343388810 /nfs/dbraw/zinc/38/88/10/343388810.db2.gz LXCGGKLZKWRYJH-ZETCQYMHSA-N 1 0 204.233 0.760 10 0 BCAERO Cc1cc2c(N(C)[C@@H](C)C[NH3+])nccn2n1 ZINC000157031706 133479285 /nfs/dbraw/zinc/47/92/85/133479285.db2.gz XVMFMWAONHFNJV-VIFPVBQESA-N 1 0 219.292 0.821 10 0 BCAERO COC[C@@H](C)[NH2+]CCn1c(C)csc1=O ZINC000308907474 346938961 /nfs/dbraw/zinc/93/89/61/346938961.db2.gz CXSVBIAZGGKUEM-MRVPVSSYSA-N 1 0 230.333 0.843 10 0 BCAERO CC[N@@H+]1CCC[C@@H]1CN(C)C[C@@H](C)O ZINC000082462768 343440265 /nfs/dbraw/zinc/44/02/65/343440265.db2.gz VRUUQTNJKZOLCG-GHMZBOCLSA-N 1 0 200.326 0.783 10 0 BCAERO CCOC(=O)[C@H](C)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000082462893 343440279 /nfs/dbraw/zinc/44/02/79/343440279.db2.gz BSSBVOCXPMPIMX-WDEREUQCSA-N 1 0 226.320 0.718 10 0 BCAERO COCC(=O)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000082432183 343441160 /nfs/dbraw/zinc/44/11/60/343441160.db2.gz XBCWIHTXOGTVDL-SECBINFHSA-N 1 0 200.282 0.043 10 0 BCAERO C[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)O2)C1C[NH2+]C1 ZINC000129302473 136372527 /nfs/dbraw/zinc/37/25/27/136372527.db2.gz SHMPHTAYPUVTPT-IEBDPFPHSA-N 1 0 224.304 0.232 10 0 BCAERO COCC[NH2+]Cc1ccnc(N(C)C)n1 ZINC000054792660 136373160 /nfs/dbraw/zinc/37/31/60/136373160.db2.gz NXVKYYSODCQSMU-UHFFFAOYSA-N 1 0 210.281 0.279 10 0 BCAERO C[NH2+][C@H]1CCC2(C[C@H]1N(C)C1CC1)OCCO2 ZINC000043822794 343485466 /nfs/dbraw/zinc/48/54/66/343485466.db2.gz ZQFVRGNIQXCWBB-NWDGAFQWSA-N 1 0 240.347 0.964 10 0 BCAERO C[C@@H]([NH3+])CCNC(=O)C[C@H]1CCCO1 ZINC000083524515 343487909 /nfs/dbraw/zinc/48/79/09/343487909.db2.gz GCMACZDGMGZRAK-RKDXNWHRSA-N 1 0 200.282 0.409 10 0 BCAERO CN(C)CC[NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000082943704 343472446 /nfs/dbraw/zinc/47/24/46/343472446.db2.gz FLRXZNLSQCUWQQ-DCAQKATOSA-N 1 0 212.337 0.951 10 0 BCAERO Nc1cccc([C@H]2COCCN2CC[NH3+])c1 ZINC000616638255 343528788 /nfs/dbraw/zinc/52/87/88/343528788.db2.gz DGDRXKYVXJPWIH-GFCCVEGCSA-N 1 0 221.304 0.601 10 0 BCAERO COC(=O)N1CCOC[C@@H](CC[NH3+])C1 ZINC000616661941 343534038 /nfs/dbraw/zinc/53/40/38/343534038.db2.gz WOMOYNDHWZWFNW-QMMMGPOBSA-N 1 0 202.254 0.050 10 0 BCAERO OCC[N@@H+]1CCCO[C@H](c2ccno2)C1 ZINC000616681702 343536632 /nfs/dbraw/zinc/53/66/32/343536632.db2.gz TYVBZXPYHMHJJF-JTQLQIEISA-N 1 0 212.249 0.430 10 0 BCAERO NC(=O)N1C[C@@H](C[NH3+])Nc2ccccc21 ZINC000616693742 343539931 /nfs/dbraw/zinc/53/99/31/343539931.db2.gz XOFZWJKDXVZNNU-SSDOTTSWSA-N 1 0 206.249 0.325 10 0 BCAERO C[C@H]([NH3+])[C@H](C)Nc1cnn(C)c(=O)c1Cl ZINC000394529967 259364130 /nfs/dbraw/zinc/36/41/30/259364130.db2.gz PXXTVKBIMVHYHQ-WDSKDSINSA-N 1 0 230.699 0.581 10 0 BCAERO Cn1ccc(C(=O)CN2CC[NH2+]CC2)c1 ZINC000050145313 343609962 /nfs/dbraw/zinc/60/99/62/343609962.db2.gz HPZLDNGUHZFGDD-UHFFFAOYSA-N 1 0 207.277 0.113 10 0 BCAERO C[C@]1(CNC(=O)[C@H]2CC[NH2+]C2)CCCO1 ZINC000087254153 343641803 /nfs/dbraw/zinc/64/18/03/343641803.db2.gz WRKQYCDUHAEJTR-GXSJLCMTSA-N 1 0 212.293 0.281 10 0 BCAERO c1c[nH]c(-c2noc([C@H]3CC[NH2+]C3)n2)n1 ZINC000087338916 343644918 /nfs/dbraw/zinc/64/49/18/343644918.db2.gz YZBLJYORRGHHKW-LURJTMIESA-N 1 0 205.221 0.537 10 0 BCAERO c1c[nH]c(-c2noc([C@@H]3CC[NH2+]C3)n2)n1 ZINC000087338914 343645126 /nfs/dbraw/zinc/64/51/26/343645126.db2.gz YZBLJYORRGHHKW-ZCFIWIBFSA-N 1 0 205.221 0.537 10 0 BCAERO [NH3+]CCn1c(=O)[nH]c2c(Cl)cccc2c1=O ZINC000205306286 343622887 /nfs/dbraw/zinc/62/28/87/343622887.db2.gz UZCUIBKSAPLDQF-UHFFFAOYSA-N 1 0 239.662 0.302 10 0 BCAERO CCN1CCO[C@@H](C[NH3+])[C@H]1c1nccn1C ZINC000385382561 537798427 /nfs/dbraw/zinc/79/84/27/537798427.db2.gz SKBREXSZSGLXRL-UWVGGRQHSA-N 1 0 224.308 0.141 10 0 BCAERO CC(C)C(=[NH2+])N1C[C@H](C)O[C@H](CO)C1 ZINC000299901827 343629931 /nfs/dbraw/zinc/62/99/31/343629931.db2.gz BVMGYUTUSHGIDH-IUCAKERBSA-N 1 0 200.282 0.701 10 0 BCAERO CC[N@H+](C)C[C@H](O)CN1C[C@H](O)CC[C@@H]1C ZINC000399220371 488228139 /nfs/dbraw/zinc/22/81/39/488228139.db2.gz ITEBPYMQMPMSNV-TUAOUCFPSA-N 1 0 230.352 0.144 10 0 BCAERO CC[NH+](CC)[C@H](C)CNC(=O)C(C)(C)[NH3+] ZINC000379945371 343658458 /nfs/dbraw/zinc/65/84/58/343658458.db2.gz CVTKPEXINVZFRN-SECBINFHSA-N 1 0 215.341 0.570 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N1CCC[C@@H](C(=O)OC)C1 ZINC000236802218 346952302 /nfs/dbraw/zinc/95/23/02/346952302.db2.gz XZEKTEWTKQKXBK-ZJUUUORDSA-N 1 0 242.319 0.525 10 0 BCAERO [NH3+]C[C@@H]1CCCN1S(=O)(=O)c1cccnc1 ZINC000082591549 133503037 /nfs/dbraw/zinc/50/30/37/133503037.db2.gz GEBSRNJNUJOOAH-VIFPVBQESA-N 1 0 241.316 0.193 10 0 BCAERO [NH3+]C1(C(=O)NC[C@@H]2CCC[C@H]2O)CCC1 ZINC000088051433 343698779 /nfs/dbraw/zinc/69/87/79/343698779.db2.gz KWLQPNCAXJFPGN-DTWKUNHWSA-N 1 0 212.293 0.145 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N[C@@H]1CCCC1(C)C ZINC000088005017 343688340 /nfs/dbraw/zinc/68/83/40/343688340.db2.gz VKXKKSBRFYAQHC-RKDXNWHRSA-N 1 0 214.309 0.655 10 0 BCAERO NC(=S)CC[N@@H+]1CCn2ccnc2C1 ZINC000062252041 343737618 /nfs/dbraw/zinc/73/76/18/343737618.db2.gz YTYAUMCHXNTXQO-UHFFFAOYSA-N 1 0 210.306 0.375 10 0 BCAERO CC(=O)N[C@H](CN1CC[NH2+]CC1)c1ccccc1 ZINC000059732126 343713120 /nfs/dbraw/zinc/71/31/20/343713120.db2.gz PPUKSJMCIYMJFW-CQSZACIVSA-N 1 0 247.342 0.769 10 0 BCAERO [NH3+][C@H]1CCCN(c2ncnc3c2CCC3)C1 ZINC000061277673 343724792 /nfs/dbraw/zinc/72/47/92/343724792.db2.gz IPAWUBRIOJWIBE-VIFPVBQESA-N 1 0 218.304 0.893 10 0 BCAERO C[C@H](O)C[C@H](C)CNC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000262628170 349860205 /nfs/dbraw/zinc/86/02/05/349860205.db2.gz MBYHTYKMSRSPKE-XWLWVQCSSA-N 1 0 228.336 0.637 10 0 BCAERO CC(C)[C@@H](NCCC(N)=O)C(=O)OC(C)(C)C ZINC000097975798 344039212 /nfs/dbraw/zinc/03/92/12/344039212.db2.gz XVZGFLXDPWEXRA-SNVBAGLBSA-N 1 0 244.335 0.818 10 0 BCAERO COC(C)(C)C(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000230730861 347000366 /nfs/dbraw/zinc/00/03/66/347000366.db2.gz LYDULEMTIOTUNL-JTQLQIEISA-N 1 0 200.282 0.280 10 0 BCAERO C[C@]1(NC(=O)CC(F)(F)F)CC[NH2+]C1 ZINC000230732583 347000879 /nfs/dbraw/zinc/00/08/79/347000879.db2.gz HCPBWMXPIRUYNL-ZETCQYMHSA-N 1 0 210.199 0.807 10 0 BCAERO NC(=O)[C@@H]1CCN(CC[NH3+])c2ccccc21 ZINC000309565244 343873100 /nfs/dbraw/zinc/87/31/00/343873100.db2.gz QLUVHFZCIDEUNH-SNVBAGLBSA-N 1 0 219.288 0.424 10 0 BCAERO C[C@@H](O)CC[N@H+](C)C[C@@H]1CN(C)CCO1 ZINC000128425256 347005980 /nfs/dbraw/zinc/00/59/80/347005980.db2.gz XELPBXCBVHNJHW-GHMZBOCLSA-N 1 0 216.325 0.020 10 0 BCAERO CC1(C)CN(C(=O)[C@H]2CCC[C@@H]2[NH3+])CCO1 ZINC000082920842 133508463 /nfs/dbraw/zinc/50/84/63/133508463.db2.gz YMSDQKZNIYFEEM-UWVGGRQHSA-N 1 0 226.320 0.751 10 0 BCAERO CC(C)[N@H+]1C[C@H](NC(=O)C2(O)CCC2)[C@@H](C)C1 ZINC000188019342 347005361 /nfs/dbraw/zinc/00/53/61/347005361.db2.gz UITBBABVVSHHLJ-QWRGUYRKSA-N 1 0 240.347 0.746 10 0 BCAERO CC[N@@H+]1CCC[C@H](NC(=S)NC)C1 ZINC000060432104 343937612 /nfs/dbraw/zinc/93/76/12/343937612.db2.gz JRSQIWBKHUEKNT-QMMMGPOBSA-N 1 0 201.339 0.565 10 0 BCAERO C[C@H](C(N)=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000090824822 343940866 /nfs/dbraw/zinc/94/08/66/343940866.db2.gz CPDKDKLQIFWDRC-NXEZZACHSA-N 1 0 211.309 0.030 10 0 BCAERO CC(C)([NH3+])c1cn(CCO[C@@H]2CC2(F)F)nn1 ZINC000641185286 362260507 /nfs/dbraw/zinc/26/05/07/362260507.db2.gz RWUUONYFIIBJQT-MRVPVSSYSA-N 1 0 246.261 0.896 10 0 BCAERO C[NH2+][C@@H](C)c1c(Br)nnn1C ZINC000234412675 343964281 /nfs/dbraw/zinc/96/42/81/343964281.db2.gz ADKPDPRZASDXFE-BYPYZUCNSA-N 1 0 219.086 0.858 10 0 BCAERO CC1(C)[C@@H]([NH2+]CCS(C)(=O)=O)[C@@H]2CCO[C@@H]21 ZINC000082953264 133512216 /nfs/dbraw/zinc/51/22/16/133512216.db2.gz AXYKHFXUEGYCRE-GUBZILKMSA-N 1 0 247.360 0.434 10 0 BCAERO C[C@H](C(N)=S)[N@@H+]1CCC[C@@](C)(O)C1 ZINC000157434854 344102553 /nfs/dbraw/zinc/10/25/53/344102553.db2.gz WKGOHNSRFHXBRZ-VXNVDRBHSA-N 1 0 202.323 0.508 10 0 BCAERO CCC[C@H]([NH3+])C(=O)NC[C@H]1CCCC[C@@H]1O ZINC000082995339 133514157 /nfs/dbraw/zinc/51/41/57/133514157.db2.gz YAENJPOMWNGTFT-VWYCJHECSA-N 1 0 228.336 0.781 10 0 BCAERO CS(=O)(=O)N1CCCC[C@@H](C[NH3+])C1 ZINC000216221277 344091541 /nfs/dbraw/zinc/09/15/41/344091541.db2.gz YATVOIFIMNKSOS-QMMMGPOBSA-N 1 0 206.311 0.007 10 0 BCAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCCCO ZINC000094467908 537839452 /nfs/dbraw/zinc/83/94/52/537839452.db2.gz OBDORLNQHBDROL-NWDGAFQWSA-N 1 0 240.347 0.844 10 0 BCAERO CC[C@@H]([NH3+])C(=O)N1[C@H](C)COC[C@H]1C ZINC000130003015 344101791 /nfs/dbraw/zinc/10/17/91/344101791.db2.gz IVJGNIQICOHKDU-IWSPIJDZSA-N 1 0 200.282 0.360 10 0 BCAERO O=C(NC[C@H]1CCCO1)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634735555 344123815 /nfs/dbraw/zinc/12/38/15/344123815.db2.gz KGWXPBAUVKSDPK-LOWVWBTDSA-N 1 0 238.331 0.671 10 0 BCAERO CC(C)(C)OC(=O)NCCCN[C@@H]1CC[NH2+]C1 ZINC000220246782 344124015 /nfs/dbraw/zinc/12/40/15/344124015.db2.gz NDVAPZKCBOTHLW-SNVBAGLBSA-N 1 0 243.351 0.853 10 0 BCAERO COC(=O)[C@@H](C)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000247374590 344149816 /nfs/dbraw/zinc/14/98/16/344149816.db2.gz VDCODFGPYJOWFI-ZJUUUORDSA-N 1 0 212.293 0.328 10 0 BCAERO Cn1cc(CNC(=O)[C@]23CCC[C@H]2C[NH2+]C3)cn1 ZINC000634746822 344177554 /nfs/dbraw/zinc/17/75/54/344177554.db2.gz LQROSZWIGPAGAX-AAEUAGOBSA-N 1 0 248.330 0.426 10 0 BCAERO COC(C)(C)CNC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634754841 344211212 /nfs/dbraw/zinc/21/12/12/344211212.db2.gz LTQUNNQLHUOTDF-GWCFXTLKSA-N 1 0 240.347 0.917 10 0 BCAERO CC(C)[C@H](O)C[C@@H]1CN(C)CC[N@@H+]1C ZINC000149400754 347038694 /nfs/dbraw/zinc/03/86/94/347038694.db2.gz UHKYDXQTPUFZNH-GHMZBOCLSA-N 1 0 200.326 0.639 10 0 BCAERO CCn1ccnc(N[C@@H](C)C[C@H](C)[NH3+])c1=O ZINC000165730703 323069464 /nfs/dbraw/zinc/06/94/64/323069464.db2.gz OPXWARJHKCZMMX-IUCAKERBSA-N 1 0 224.308 0.801 10 0 BCAERO CC(C)(C)n1nnnc1[C@H]1CCC[NH2+]C1 ZINC000616573329 344186580 /nfs/dbraw/zinc/18/65/80/344186580.db2.gz HKKULLXWRIEDSU-QMMMGPOBSA-N 1 0 209.297 0.895 10 0 BCAERO COC(=O)CCNC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000084310225 344190881 /nfs/dbraw/zinc/19/08/81/344190881.db2.gz OAJXOINQVYYMTK-DTWKUNHWSA-N 1 0 228.292 0.041 10 0 BCAERO Cn1cc([C@H](C[NH3+])C2CCOCC2)cn1 ZINC000217355968 344191469 /nfs/dbraw/zinc/19/14/69/344191469.db2.gz TZHMRVJUYIRGHA-LLVKDONJSA-N 1 0 209.293 0.889 10 0 BCAERO O=C(NCC1(CO)CC1)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634751573 344202053 /nfs/dbraw/zinc/20/20/53/344202053.db2.gz SUZIIBOTRCHBLY-GWCFXTLKSA-N 1 0 238.331 0.265 10 0 BCAERO COC1(OC)CN([C@]2(C)CC[NH2+]C2)C1 ZINC000230753880 347042450 /nfs/dbraw/zinc/04/24/50/347042450.db2.gz SBRMLWSQTKXHMM-SECBINFHSA-N 1 0 200.282 0.043 10 0 BCAERO CN(Cc1cn[nH]c1)C(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634768382 344280160 /nfs/dbraw/zinc/28/01/60/344280160.db2.gz HZZYRYXRYMTCPG-AAEUAGOBSA-N 1 0 248.330 0.758 10 0 BCAERO O=C(N[C@H]1CCOC1)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634770640 344285086 /nfs/dbraw/zinc/28/50/86/344285086.db2.gz SLRQNMCDBUCLTP-NHCYSSNCSA-N 1 0 224.304 0.281 10 0 BCAERO Nc1cccc2c1CCN(CC1=[NH+]CCN1)C2 ZINC000027708066 344289689 /nfs/dbraw/zinc/28/96/89/344289689.db2.gz WNKFXECFAANVSA-UHFFFAOYSA-N 1 0 230.315 0.629 10 0 BCAERO CC(C)c1noc(N(C)[C@H]2CC[NH2+]C2)n1 ZINC000107211563 344327495 /nfs/dbraw/zinc/32/74/95/344327495.db2.gz XPMBREUTBLNTTE-QMMMGPOBSA-N 1 0 210.281 0.991 10 0 BCAERO C[N@H+](C[C@H]1CNC(=O)O1)[C@@H](CO)C(C)(C)C ZINC000496295058 529972841 /nfs/dbraw/zinc/97/28/41/529972841.db2.gz NTVVTISDQQUWLF-BDAKNGLRSA-N 1 0 230.308 0.434 10 0 BCAERO C[C@@H]1C[C@@H]([NH2+]CC2(O)CCOCC2)[C@H](C)O1 ZINC000395259953 362383392 /nfs/dbraw/zinc/38/33/92/362383392.db2.gz VZZPQMQRVYBAST-OUAUKWLOSA-N 1 0 229.320 0.683 10 0 BCAERO COc1cc(OC)nc(N2C[C@H]([NH3+])C[C@H]2C)n1 ZINC000385188135 344366383 /nfs/dbraw/zinc/36/63/83/344366383.db2.gz LOYFWGZRLXVOAK-HTQZYQBOSA-N 1 0 238.291 0.420 10 0 BCAERO Cc1cc(N2C[C@@H]([NH3+])C[C@H]2C)n2ncnc2n1 ZINC000385149257 344355961 /nfs/dbraw/zinc/35/59/61/344355961.db2.gz OZXAEMGZQBOADU-BDAKNGLRSA-N 1 0 232.291 0.359 10 0 BCAERO C[C@H]1C[C@@H]([NH3+])CN1c1ccc2nccnc2n1 ZINC000385163242 344356828 /nfs/dbraw/zinc/35/68/28/344356828.db2.gz CEDRTRAFVFOZAL-DTWKUNHWSA-N 1 0 229.287 0.951 10 0 BCAERO CC[C@@H](CO)[NH2+]Cc1ccnc(N(C)C)n1 ZINC000132407452 344300585 /nfs/dbraw/zinc/30/05/85/344300585.db2.gz PDDKNGOBWMEWQX-VIFPVBQESA-N 1 0 224.308 0.403 10 0 BCAERO COc1cc(N2C[C@H]([NH3+])C[C@@H]2C)ncn1 ZINC000385213411 344377153 /nfs/dbraw/zinc/37/71/53/344377153.db2.gz YEDHTDVSFWKABW-JGVFFNPUSA-N 1 0 208.265 0.411 10 0 BCAERO CCOc1cc(N2C[C@H]([NH3+])C[C@@H]2C)ncn1 ZINC000385282586 344387464 /nfs/dbraw/zinc/38/74/64/344387464.db2.gz WCJWPXODBXNLQG-DTWKUNHWSA-N 1 0 222.292 0.801 10 0 BCAERO CC[N@H+](C)[C@@H]1CC2(CC[C@@H]1O)OCCO2 ZINC000044127796 344398162 /nfs/dbraw/zinc/39/81/62/344398162.db2.gz ITRSHCJPSRSOHR-ZJUUUORDSA-N 1 0 215.293 0.595 10 0 BCAERO [NH3+][C@H](CO)[C@H](O)c1ncc(Cl)s1 ZINC000223303067 344398674 /nfs/dbraw/zinc/39/86/74/344398674.db2.gz XICSUTBLDVWIFU-WUJLRWPWSA-N 1 0 208.670 0.150 10 0 BCAERO CC[C@@H](O)[C@H](C)[N@@H+]1CCCN(C)CC1 ZINC000044124866 344398723 /nfs/dbraw/zinc/39/87/23/344398723.db2.gz PLTYBEWKEVVPHP-WDEREUQCSA-N 1 0 200.326 0.783 10 0 BCAERO CN(Cc1cc[nH]n1)C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000400299628 344464944 /nfs/dbraw/zinc/46/49/44/344464944.db2.gz TUMRBVQEIQUGGT-JTQLQIEISA-N 1 0 236.319 0.758 10 0 BCAERO CC1(C)NC(=O)CC[C@H]1[NH2+][C@@H]1C[C@H]1CO ZINC000382007265 347054336 /nfs/dbraw/zinc/05/43/36/347054336.db2.gz LHLNINVAJZBSPT-DJLDLDEBSA-N 1 0 212.293 0.014 10 0 BCAERO C[NH2+][C@H](C)C(=O)N1CCN(c2ccccc2)CC1 ZINC000048775867 344574713 /nfs/dbraw/zinc/57/47/13/344574713.db2.gz QCEDMCQYFWFEAP-GFCCVEGCSA-N 1 0 247.342 0.943 10 0 BCAERO CC[C@@H](C)NC(=O)C1(C[NH3+])CCOCC1 ZINC000044761284 344546046 /nfs/dbraw/zinc/54/60/46/344546046.db2.gz VIPQTRGELJFOHM-SECBINFHSA-N 1 0 214.309 0.657 10 0 BCAERO CCC1CCN(C(=O)[C@H]2C[C@@H](O)C[NH2+]2)CC1 ZINC000037822553 344593004 /nfs/dbraw/zinc/59/30/04/344593004.db2.gz AGUJDKIKVCBXFI-GHMZBOCLSA-N 1 0 226.320 0.358 10 0 BCAERO COC(=O)[C@@H]1CCCCN1C(=O)C[C@H](C)[NH3+] ZINC000037804418 344589348 /nfs/dbraw/zinc/58/93/48/344589348.db2.gz GTHAOAJVZXPGTP-IUCAKERBSA-N 1 0 228.292 0.278 10 0 BCAERO c1nc2c([nH]1)[C@]1(CCCOCC1)[NH2+]CC2 ZINC000400377955 537854078 /nfs/dbraw/zinc/85/40/78/537854078.db2.gz JPKIHQMHLKXLMK-LLVKDONJSA-N 1 0 207.277 0.951 10 0 BCAERO [NH3+][C@H]1CCN(C2CCC3(CC2)OCCO3)C1 ZINC000050227645 344659665 /nfs/dbraw/zinc/65/96/65/344659665.db2.gz XYJYFVPILPFUFB-JTQLQIEISA-N 1 0 226.320 0.705 10 0 BCAERO C[C@@H]1C[C@]2(CN1C)[NH2+]CCc1nc[nH]c12 ZINC000400397790 537854276 /nfs/dbraw/zinc/85/42/76/537854276.db2.gz MWYOMOVPDUMKDG-LDYMZIIASA-N 1 0 206.293 0.475 10 0 BCAERO C[C@@H](Cc1cccs1)N1C[C@H]([NH3+])C1=O ZINC000227625676 344675643 /nfs/dbraw/zinc/67/56/43/344675643.db2.gz PUWWVPVFSAOQME-CBAPKCEASA-N 1 0 210.302 0.849 10 0 BCAERO C[C@@H]1CN([C@@]2(C[NH3+])CCOC2)CCS1 ZINC000220947529 344645645 /nfs/dbraw/zinc/64/56/45/344645645.db2.gz JYLSGWPNJQYMOC-NXEZZACHSA-N 1 0 216.350 0.542 10 0 BCAERO CC[C@@H](O)C[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000116408121 344730058 /nfs/dbraw/zinc/73/00/58/344730058.db2.gz NHXOZBQCOXOPFP-CMPLNLGQSA-N 1 0 223.320 0.980 10 0 BCAERO CCC(=[NH2+])N1C[C@@H](CO)OC(C)(C)C1 ZINC000158752009 344739101 /nfs/dbraw/zinc/73/91/01/344739101.db2.gz MLCJPCDQTBESNA-QMMMGPOBSA-N 1 0 200.282 0.845 10 0 BCAERO C[C@@H]1C[C@H](O)CCN1c1ncnc2c1cnn2C ZINC000631433355 344741718 /nfs/dbraw/zinc/74/17/18/344741718.db2.gz GPKLZKSHWPRCJH-RKDXNWHRSA-N 1 0 247.302 0.713 10 0 BCAERO CC[N@@H+]1CCC[C@@H](NCc2ncc[nH]2)C1 ZINC000049715643 344683132 /nfs/dbraw/zinc/68/31/32/344683132.db2.gz OKHCFZZBXTUXMA-SNVBAGLBSA-N 1 0 208.309 0.984 10 0 BCAERO C[C@@H](C(N)=S)[N@@H+]1CCC[C@@H](CO)C1 ZINC000221211432 344704108 /nfs/dbraw/zinc/70/41/08/344704108.db2.gz CGJJENJZKHMGKK-JGVFFNPUSA-N 1 0 202.323 0.365 10 0 BCAERO COCC[C@@H](C)[NH2+][C@H]1CCCNC1=O ZINC000050395554 344808064 /nfs/dbraw/zinc/80/80/64/344808064.db2.gz AEGPNDCBSZPWCX-BDAKNGLRSA-N 1 0 200.282 0.280 10 0 BCAERO COCC[C@H](C)[NH2+][C@H]1CCCNC1=O ZINC000050395553 344808156 /nfs/dbraw/zinc/80/81/56/344808156.db2.gz AEGPNDCBSZPWCX-IUCAKERBSA-N 1 0 200.282 0.280 10 0 BCAERO CC(C)n1c(N)nnc1SC1C[NH2+]C1 ZINC000062801427 347082831 /nfs/dbraw/zinc/08/28/31/347082831.db2.gz NJNLGGNATUVPKE-UHFFFAOYSA-N 1 0 213.310 0.505 10 0 BCAERO C[NH+](C)CC[C@]1(C)NCCc2nc[nH]c21 ZINC000715206750 537869287 /nfs/dbraw/zinc/86/92/87/537869287.db2.gz DOYYROXRUKRAFN-NSHDSACASA-N 1 0 208.309 0.722 10 0 BCAERO CC(C)([NH3+])CCC(=O)Nc1nnns1 ZINC000166336081 344864559 /nfs/dbraw/zinc/86/45/59/344864559.db2.gz PMURYNDQAWPANV-UHFFFAOYSA-N 1 0 215.282 0.389 10 0 BCAERO O=C(Nc1nnns1)[C@H]1CCCC[NH2+]1 ZINC000166351015 344870994 /nfs/dbraw/zinc/87/09/94/344870994.db2.gz WJRQAUATZKGQIM-RXMQYKEDSA-N 1 0 213.266 0.014 10 0 BCAERO CCN(CC)C(=O)C[N@H+](C)[C@H]1CCC[C@@H]1O ZINC000078480139 344873590 /nfs/dbraw/zinc/87/35/90/344873590.db2.gz SIQOWTXGBMTSKT-QWRGUYRKSA-N 1 0 228.336 0.700 10 0 BCAERO C[C@@H]1OCC[C@@H]1CNC(=O)C(C)(C)[NH3+] ZINC000235308408 344880142 /nfs/dbraw/zinc/88/01/42/344880142.db2.gz NJEXKUHMXOHUDN-JGVFFNPUSA-N 1 0 200.282 0.265 10 0 BCAERO C[C@@H]1C[C@H](C(F)(F)F)N2CC[NH+]=C2N1 ZINC000235395434 344901272 /nfs/dbraw/zinc/90/12/72/344901272.db2.gz AVWGGAFTMNFEFE-PHDIDXHHSA-N 1 0 207.199 0.971 10 0 BCAERO CC(C)(C)OC(=O)N[C@H]1CCC[NH2+]C[C@H]1O ZINC000144432636 344902600 /nfs/dbraw/zinc/90/26/00/344902600.db2.gz DDZJRXASCNCWIF-DTWKUNHWSA-N 1 0 230.308 0.624 10 0 BCAERO Cn1cncc1C[NH2+][C@@H]1CCC[C@H](O)C1 ZINC000082394448 344906629 /nfs/dbraw/zinc/90/66/29/344906629.db2.gz ZWMZSBVNWALJDE-KOLCDFICSA-N 1 0 209.293 0.813 10 0 BCAERO C[C@H](O)C[C@H](C)[N@@H+]1CCN(C)C[C@@H]1C ZINC000235526288 344932575 /nfs/dbraw/zinc/93/25/75/344932575.db2.gz TWVHVZDHACKZSG-DCAQKATOSA-N 1 0 200.326 0.782 10 0 BCAERO C[C@@H]1C[C@@H]1C[NH2+][C@H]1COC[C@H]1n1ccnn1 ZINC000378752513 344944441 /nfs/dbraw/zinc/94/44/41/344944441.db2.gz VWAAFIMRIYPUFG-CHWFTXMASA-N 1 0 222.292 0.464 10 0 BCAERO COC(=O)c1cncc(N2C[C@@H]([NH3+])C[C@@H]2C)n1 ZINC000600963690 344949108 /nfs/dbraw/zinc/94/91/08/344949108.db2.gz YOYAHBLPYMTWDN-YUMQZZPRSA-N 1 0 236.275 0.189 10 0 BCAERO CC[NH2+][C@H](C)CNc1cc(C)nc2ncnn21 ZINC000387585488 345000317 /nfs/dbraw/zinc/00/03/17/345000317.db2.gz QYSLBENHHQUWKY-SECBINFHSA-N 1 0 234.307 0.843 10 0 BCAERO [NH3+]CCc1cnc(N2CCOCC2)s1 ZINC000044397880 345052082 /nfs/dbraw/zinc/05/20/82/345052082.db2.gz KRZJBWGDAQDIPF-UHFFFAOYSA-N 1 0 213.306 0.481 10 0 BCAERO C[C@@H](c1cnccn1)N1CCC[C@H]1C[NH3+] ZINC000248026065 345018585 /nfs/dbraw/zinc/01/85/85/345018585.db2.gz LPHKPXRBYYEFSD-UWVGGRQHSA-N 1 0 206.293 0.961 10 0 BCAERO Nc1ncc(CC[NH3+])c(C(F)(F)F)n1 ZINC000238577739 345080569 /nfs/dbraw/zinc/08/05/69/345080569.db2.gz LMSOPVCQKWSFMW-UHFFFAOYSA-N 1 0 206.171 0.579 10 0 BCAERO CCOC(=O)C(C)(C)NC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000155502859 345082343 /nfs/dbraw/zinc/08/23/43/345082343.db2.gz PNTPQSMPNZYRAW-IUCAKERBSA-N 1 0 242.319 0.572 10 0 BCAERO COCCC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000155577021 345088560 /nfs/dbraw/zinc/08/85/60/345088560.db2.gz FOCGDCFVNOCYPA-QWRGUYRKSA-N 1 0 228.336 0.868 10 0 BCAERO Cc1ccc(S(=O)(=O)[C@@H]2CC[NH2+]C2)nc1 ZINC000095069005 178827241 /nfs/dbraw/zinc/82/72/41/178827241.db2.gz PWMVPPOXHMQCSY-SECBINFHSA-N 1 0 226.301 0.526 10 0 BCAERO C[C@@H]1CCN(C(=O)[C@H]2CSCC[NH2+]2)C1 ZINC000126842788 345142495 /nfs/dbraw/zinc/14/24/95/345142495.db2.gz XFUPFEIOUXMFPH-RKDXNWHRSA-N 1 0 214.334 0.560 10 0 BCAERO Cc1ccc([C@H]2C[NH2+]C[C@@H]2C(N)=O)cc1 ZINC000225376658 345145016 /nfs/dbraw/zinc/14/50/16/345145016.db2.gz QTRQQERASCLNJT-MNOVXSKESA-N 1 0 204.273 0.783 10 0 BCAERO C[C@@H]1COCCN1C[C@@H]1CSCC[NH2+]1 ZINC000127062983 345153545 /nfs/dbraw/zinc/15/35/45/345153545.db2.gz CBDRZEPTNUVNAX-NXEZZACHSA-N 1 0 216.350 0.412 10 0 BCAERO C[C@H]1C[C@H](C(F)F)N2NC(CC[NH3+])=NC2=N1 ZINC000720941990 537892039 /nfs/dbraw/zinc/89/20/39/537892039.db2.gz SITCJKUFAWCXLI-NTSWFWBYSA-N 1 0 231.250 0.336 10 0 BCAERO C[C@H]1C[C@H](C(F)F)N2[NH+]=C(N)NC2=N1 ZINC000720939859 537892904 /nfs/dbraw/zinc/89/29/04/537892904.db2.gz GAFFPTDUQIMKAP-IUYQGCFVSA-N 1 0 203.196 0.113 10 0 BCAERO COC[C@@H]([NH3+])C(=O)NCC1(C)CCCC1 ZINC000088004389 133544583 /nfs/dbraw/zinc/54/45/83/133544583.db2.gz FWEDXZHHBIOHBQ-SECBINFHSA-N 1 0 214.309 0.657 10 0 BCAERO COc1ncccc1C1=C[C@H]([NH3+])CNC1 ZINC000675077756 537896026 /nfs/dbraw/zinc/89/60/26/537896026.db2.gz ICDTZDMINXQTPY-VIFPVBQESA-N 1 0 205.261 0.404 10 0 BCAERO [NH3+]CCN1CCCO[C@H](c2ccon2)C1 ZINC000616681727 345413557 /nfs/dbraw/zinc/41/35/57/345413557.db2.gz UWFPAQJGQSULEL-JTQLQIEISA-N 1 0 211.265 0.397 10 0 BCAERO CCOC(=O)CCC[NH2+][C@H](C)COC ZINC000070225131 345530961 /nfs/dbraw/zinc/53/09/61/345530961.db2.gz IHGPTMUZRDOBJK-SECBINFHSA-N 1 0 203.282 0.954 10 0 BCAERO COC[C@@H]([NH3+])C(=O)NCc1ccc(F)cc1F ZINC000159884662 345578381 /nfs/dbraw/zinc/57/83/81/345578381.db2.gz QQYYNTVIZPZQGJ-SNVBAGLBSA-N 1 0 244.241 0.555 10 0 BCAERO C[C@@H]1C[C@H](C)[C@@H](C)[N@@H+]([C@@H](C[NH3+])C(=O)[O-])C1 ZINC000229378670 345554758 /nfs/dbraw/zinc/55/47/58/345554758.db2.gz QCIPQGLLCXMQQL-RGOKHQFPSA-N 1 0 214.309 0.765 10 0 BCAERO C[NH2+][C@@H]1CC[C@@H](C)C[C@H]1S(C)(=O)=O ZINC000054930184 345562844 /nfs/dbraw/zinc/56/28/44/345562844.db2.gz ALKXFSGBFXNYPM-IWSPIJDZSA-N 1 0 205.323 0.808 10 0 BCAERO Cc1ccc([C@H](C(N)=O)N2CC[NH2+]CC2)cc1C ZINC000037945823 178882581 /nfs/dbraw/zinc/88/25/81/178882581.db2.gz JMJKPYJGAVUGPK-CYBMUJFWSA-N 1 0 247.342 0.735 10 0 BCAERO O=C(Nc1ccc2c(c1)C[NH2+]CC2)c1nc[nH]n1 ZINC000069052683 349938191 /nfs/dbraw/zinc/93/81/91/349938191.db2.gz MFJUWPXNZGDFQB-UHFFFAOYSA-N 1 0 243.270 0.703 10 0 BCAERO O=C1CCCN1C[C@@H](O)C[NH+]1CCCCCC1 ZINC000197061074 345725543 /nfs/dbraw/zinc/72/55/43/345725543.db2.gz MFPHAXNOCPIQDV-LBPRGKRZSA-N 1 0 240.347 0.846 10 0 BCAERO CC(C)[C@H]1CN(C(=O)[C@H]2CCC[NH2+]C2)CCO1 ZINC000200169758 345728340 /nfs/dbraw/zinc/72/83/40/345728340.db2.gz IREOVTCQMBXYCC-NWDGAFQWSA-N 1 0 240.347 0.869 10 0 BCAERO C[C@H]([NH3+])Cc1[nH]nc2ccc3c(c21)C[C@@H](O)CO3 ZINC000034028144 345815564 /nfs/dbraw/zinc/81/55/64/345815564.db2.gz BDBRDIOLDIDDBC-JGVFFNPUSA-N 1 0 247.298 0.748 10 0 BCAERO C[C@H]([NH3+])CCNc1nccn2cnnc12 ZINC000070616662 345791094 /nfs/dbraw/zinc/79/10/94/345791094.db2.gz YRGJWJDEQCKQKE-ZETCQYMHSA-N 1 0 206.253 0.274 10 0 BCAERO O=C1c2ccccc2C(=O)N1CN1CC[C@H](O)C1 ZINC000061708396 345843750 /nfs/dbraw/zinc/84/37/50/345843750.db2.gz DGWCZMMTLXLWKV-VIFPVBQESA-N 1 0 246.266 0.307 10 0 BCAERO CC[C@H]([NH2+]C)[C@H]1CCCCS1(=O)=O ZINC000166802044 345826398 /nfs/dbraw/zinc/82/63/98/345826398.db2.gz GEJHATYXWCJQJX-DTWKUNHWSA-N 1 0 205.323 0.952 10 0 BCAERO C[C@@H](C[NH3+])[C@@H](O)c1c(Cl)cnn1C ZINC000306219988 537912877 /nfs/dbraw/zinc/91/28/77/537912877.db2.gz NRIYASHIIDYOHK-YLWLKBPMSA-N 1 0 203.673 0.702 10 0 BCAERO C1CC(c2noc(N3CC[NH2+]CC3)n2)C1 ZINC000214869055 345837520 /nfs/dbraw/zinc/83/75/20/345837520.db2.gz YIPKKSQYRKLOTA-UHFFFAOYSA-N 1 0 208.265 0.747 10 0 BCAERO CN(C)c1nccc(N2CCC([NH3+])CC2)n1 ZINC000082924171 345913420 /nfs/dbraw/zinc/91/34/20/345913420.db2.gz JDAQSYAYANNXPO-UHFFFAOYSA-N 1 0 221.308 0.470 10 0 BCAERO [NH3+][C@@H]1CN(Cc2ccccc2)CC[C@@H]1O ZINC000118237369 537924834 /nfs/dbraw/zinc/92/48/34/537924834.db2.gz WBYKRESBRFTKBV-NEPJUHHUSA-N 1 0 206.289 0.581 10 0 BCAERO CCCCOC[C@H](O)C[NH2+][C@@H](C)C[C@H](C)O ZINC000300228703 345994853 /nfs/dbraw/zinc/99/48/53/345994853.db2.gz AADGCJVFOKWRAN-SDDRHHMPSA-N 1 0 233.352 0.913 10 0 BCAERO C[C@]1(C(=O)N2CCC(CCO)CC2)CCC[NH2+]1 ZINC000401039109 346038237 /nfs/dbraw/zinc/03/82/37/346038237.db2.gz SQFHNPRZGHNARH-CYBMUJFWSA-N 1 0 240.347 0.750 10 0 BCAERO CCS(=O)(=O)N[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000669371836 537948953 /nfs/dbraw/zinc/94/89/53/537948953.db2.gz BHDFSCKWDKSRLJ-PHDIDXHHSA-N 1 0 246.254 0.076 10 0 BCAERO C[C@@H](C[NH2+]Cc1cn[nH]c1)N1CCOCC1 ZINC000381495983 346112396 /nfs/dbraw/zinc/11/23/96/346112396.db2.gz BRYSRPCVUQYDBD-JTQLQIEISA-N 1 0 224.308 0.220 10 0 BCAERO C[NH+](C)C1(C)CCC(S(N)(=O)=O)CC1 ZINC000669375278 537952676 /nfs/dbraw/zinc/95/26/76/537952676.db2.gz HHBGILLRJRMDJG-UHFFFAOYSA-N 1 0 220.338 0.538 10 0 BCAERO CC[N@@H+]1CCC[C@H]([C@@H](C)S(=O)(=O)NC)C1 ZINC000669375736 537955238 /nfs/dbraw/zinc/95/52/38/537955238.db2.gz SCVBGPAFEQTBHT-ZJUUUORDSA-N 1 0 234.365 0.656 10 0 BCAERO CC[N@@H+]1CCC[C@H]([C@H](C)S(=O)(=O)NC)C1 ZINC000669375734 537955488 /nfs/dbraw/zinc/95/54/88/537955488.db2.gz SCVBGPAFEQTBHT-UWVGGRQHSA-N 1 0 234.365 0.656 10 0 BCAERO COCC(=O)N[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000136332152 346196682 /nfs/dbraw/zinc/19/66/82/346196682.db2.gz SCQNDMNRUDJRRY-IUCAKERBSA-N 1 0 200.282 0.089 10 0 BCAERO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]12)C(F)F ZINC000236138167 346197130 /nfs/dbraw/zinc/19/71/30/346197130.db2.gz PFKDUTUHZWIVNR-RQJHMYQMSA-N 1 0 204.220 0.604 10 0 BCAERO Nc1cccc(NC[C@H](O)C(F)F)[nH+]1 ZINC000236341645 346227958 /nfs/dbraw/zinc/22/79/58/346227958.db2.gz OHXKIOKAEPCWBG-YFKPBYRVSA-N 1 0 203.192 0.702 10 0 BCAERO Nc1nccnc1SC[C@H]1CCC[NH2+]1 ZINC000236354324 346228607 /nfs/dbraw/zinc/22/86/07/346228607.db2.gz LKLPOSNMVNIXTP-SSDOTTSWSA-N 1 0 210.306 0.903 10 0 BCAERO COC(=O)[C@H](NC(N)=[NH2+])c1ccccc1 ZINC000052019880 346234333 /nfs/dbraw/zinc/23/43/33/346234333.db2.gz KTOVUFYSUJDJIV-MRVPVSSYSA-N 1 0 207.233 0.384 10 0 BCAERO NNc1[nH+]cnc(N)c1Br ZINC000236270545 346218041 /nfs/dbraw/zinc/21/80/41/346218041.db2.gz UDINLVMJKLFJHA-UHFFFAOYSA-N 1 0 204.031 0.107 10 0 BCAERO [NH3+][C@H](CC1OCCO1)c1cncc(F)c1 ZINC000236317384 346224864 /nfs/dbraw/zinc/22/48/64/346224864.db2.gz QDOGTSGXXPZWLR-SECBINFHSA-N 1 0 212.224 0.984 10 0 BCAERO CCCCCN(CCO)C(=O)C1CC[NH2+]CC1 ZINC000262529526 535034684 /nfs/dbraw/zinc/03/46/84/535034684.db2.gz HSLRAZAMOZEYOS-UHFFFAOYSA-N 1 0 242.363 0.997 10 0 BCAERO C[NH2+][C@H]1CCN(S(N)(=O)=O)c2ccccc21 ZINC000167380096 346242013 /nfs/dbraw/zinc/24/20/13/346242013.db2.gz FHJLWMSURICMGA-VIFPVBQESA-N 1 0 241.316 0.361 10 0 BCAERO C[C@H](C[NH3+])[C@@H](O)c1cc(Br)nn1C ZINC000669377304 537964172 /nfs/dbraw/zinc/96/41/72/537964172.db2.gz LZBNSXBTLHRSNN-SVGQVSJJSA-N 1 0 248.124 0.811 10 0 BCAERO Cn1nc(Br)cc1[C@@H](O)CC[NH3+] ZINC000669377473 537964670 /nfs/dbraw/zinc/96/46/70/537964670.db2.gz QWOSBJMKECXSQO-LURJTMIESA-N 1 0 234.097 0.565 10 0 BCAERO C[C@H]([C@H]1CCCCC[NH2+]1)S(C)(=O)=O ZINC000167641372 346293232 /nfs/dbraw/zinc/29/32/32/346293232.db2.gz RKWWACDBNQRUPG-RKDXNWHRSA-N 1 0 205.323 0.952 10 0 BCAERO CO[C@H](C)CN1C[C@@H]([NH3+])[C@H](C)CC1=O ZINC000167649282 346297772 /nfs/dbraw/zinc/29/77/72/346297772.db2.gz FBBGANWBWVJIFB-IWSPIJDZSA-N 1 0 200.282 0.217 10 0 BCAERO C[C@H](C[NH3+])[C@@]1(O)CCCC2(C1)OCCO2 ZINC000669378052 537966328 /nfs/dbraw/zinc/96/63/28/537966328.db2.gz TWSUZFDYAVRFDS-NXEZZACHSA-N 1 0 215.293 0.629 10 0 BCAERO C[NH+](C)[C@H]1CCN(CC(F)(F)CN)C1 ZINC000308622416 537967110 /nfs/dbraw/zinc/96/71/10/537967110.db2.gz WYERMFOCYDECSQ-QMMMGPOBSA-N 1 0 207.268 0.216 10 0 BCAERO CC(C)(O)CC[N@@H+]1CC[C@@H](CCO)C1 ZINC000162081514 346348137 /nfs/dbraw/zinc/34/81/37/346348137.db2.gz UOZWPBCHJBIIMS-JTQLQIEISA-N 1 0 201.310 0.852 10 0 BCAERO CCNC(=O)CC[N@@H+]1CC[C@H](CCO)C1 ZINC000161583812 346337840 /nfs/dbraw/zinc/33/78/40/346337840.db2.gz WEZJMJINMBUQNE-SNVBAGLBSA-N 1 0 214.309 0.217 10 0 BCAERO CCCNC(=O)N1CC(OC2CC[NH2+]CC2)C1 ZINC000675054862 537977486 /nfs/dbraw/zinc/97/74/86/537977486.db2.gz KOQBNILFPKMLLE-UHFFFAOYSA-N 1 0 241.335 0.559 10 0 BCAERO CCN(CCO)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000725241431 537979243 /nfs/dbraw/zinc/97/92/43/537979243.db2.gz FKLOEJJCKSQKQL-RYUDHWBXSA-N 1 0 212.337 0.927 10 0 BCAERO CCN(Cc1ccccn1)C(=O)[C@H]([NH3+])COC ZINC000160027384 346438708 /nfs/dbraw/zinc/43/87/08/346438708.db2.gz BBWZPXJIJYWWOX-LLVKDONJSA-N 1 0 237.303 0.404 10 0 BCAERO O[C@@H]1COC[C@@H]1[NH2+]C[C@@H]1CSCCS1 ZINC000229599824 346441367 /nfs/dbraw/zinc/44/13/67/346441367.db2.gz PCBXDWKSVCJHDS-HRDYMLBCSA-N 1 0 235.374 0.184 10 0 BCAERO C[C@@H]1C[N@H+](C)CC[C@@H]1N1CC(=O)CC1=O ZINC000229621579 346442018 /nfs/dbraw/zinc/44/20/18/346442018.db2.gz TYEOSHVULILSMK-SCZZXKLOSA-N 1 0 210.277 0.128 10 0 BCAERO C[NH+](C)[C@@H]1CCN(C(=O)NC[C@@H]2CCCO2)C1 ZINC000170861480 346461940 /nfs/dbraw/zinc/46/19/40/346461940.db2.gz QANRMAXKDQBKQE-MNOVXSKESA-N 1 0 241.335 0.511 10 0 BCAERO Cc1cc(C(=O)N2CC[C@H]([NH+](C)C)C2)on1 ZINC000170858192 346462743 /nfs/dbraw/zinc/46/27/43/346462743.db2.gz CWFGXFZUFWCNPL-VIFPVBQESA-N 1 0 223.276 0.759 10 0 BCAERO CC(C)OCCC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170866824 346466770 /nfs/dbraw/zinc/46/67/70/346466770.db2.gz HMIYVPMTKCRASV-NSHDSACASA-N 1 0 228.336 0.964 10 0 BCAERO [NH3+][C@@H]1[C@@H]2CCO[C@@H]2[C@H]1Nc1nncs1 ZINC000249023316 346475372 /nfs/dbraw/zinc/47/53/72/346475372.db2.gz URSKOWXTTVGWIZ-VZFHVOOUSA-N 1 0 212.278 0.065 10 0 BCAERO CC(=O)N1C[C@@]2(C[C@@H]([NH3+])[C@H](O)C2)[C@@H]1C(C)C ZINC000669379770 537981949 /nfs/dbraw/zinc/98/19/49/537981949.db2.gz CJOSPIHJELVSRG-WYUUTHIRSA-N 1 0 226.320 0.342 10 0 BCAERO COC[C@H](CCO)[NH2+][C@@H]1CCCC[C@H]1O ZINC000228348669 347098618 /nfs/dbraw/zinc/09/86/18/347098618.db2.gz IEYWJJPFIATUTI-HBNTYKKESA-N 1 0 217.309 0.277 10 0 BCAERO CC(C)S(=O)(=O)N1CCC[NH2+]CC12CC2 ZINC000725242012 537982166 /nfs/dbraw/zinc/98/21/66/537982166.db2.gz ZVKWDCYXFXFZED-UHFFFAOYSA-N 1 0 232.349 0.553 10 0 BCAERO CCOC(=O)[C@H](C)n1cc([C@@H]2CCC[NH2+]2)nn1 ZINC000725241614 537981568 /nfs/dbraw/zinc/98/15/68/537981568.db2.gz JJDHECKEYCWEIN-IUCAKERBSA-N 1 0 238.291 0.827 10 0 BCAERO C[C@H](C[NH3+])[C@H](C)n1cc(S(C)(=O)=O)cn1 ZINC000725242383 537983280 /nfs/dbraw/zinc/98/32/80/537983280.db2.gz YKSVQSFAGZZNTO-SFYZADRCSA-N 1 0 231.321 0.442 10 0 BCAERO CS(=O)(=O)c1cnn([C@H]2CCC[NH2+]CC2)c1 ZINC000725242374 537983410 /nfs/dbraw/zinc/98/34/10/537983410.db2.gz XXVCNRKSLYOVRA-VIFPVBQESA-N 1 0 243.332 0.601 10 0 BCAERO CC[C@@H](O)CN1CC[NH+](C[C@@H](C)COC)CC1 ZINC000187248085 346563450 /nfs/dbraw/zinc/56/34/50/346563450.db2.gz ZTCBNBREDXEULE-CHWSQXEVSA-N 1 0 244.379 0.657 10 0 BCAERO C[C@@H]1C[C@H](NC(=O)[C@H]2CC[NH2+]C2)CCO1 ZINC000300376661 346531154 /nfs/dbraw/zinc/53/11/54/346531154.db2.gz DXLSTLIYCPLNQV-KXUCPTDWSA-N 1 0 212.293 0.280 10 0 BCAERO Cc1cccc(N(C)CC(=O)N2CC[NH2+]CC2)n1 ZINC000038031688 179116283 /nfs/dbraw/zinc/11/62/83/179116283.db2.gz PFHXFRWCCIZCMO-UHFFFAOYSA-N 1 0 248.330 0.258 10 0 BCAERO C[C@H](NC(=O)[C@@H]1C[NH2+]C[C@H]1C)c1cnn(C)c1 ZINC000301655064 349971686 /nfs/dbraw/zinc/97/16/86/349971686.db2.gz OVZWBZVIBQLHKP-WCABBAIRSA-N 1 0 236.319 0.453 10 0 BCAERO C[NH2+][C@H](C)C(=O)NC1C[C@@H](C)O[C@H](C)C1 ZINC000577123425 365826701 /nfs/dbraw/zinc/82/67/01/365826701.db2.gz LULOYNJYBAFFKT-IWSPIJDZSA-N 1 0 214.309 0.667 10 0 BCAERO CO[C@H](C)C(=O)N1CC[C@H](C)[C@H]([NH3+])C1 ZINC000163883540 346580370 /nfs/dbraw/zinc/58/03/70/346580370.db2.gz GDILQONXPOLFDV-DJLDLDEBSA-N 1 0 200.282 0.217 10 0 BCAERO O=S1(=O)CC[C@H]([NH2+]C2CC=CC2)C1 ZINC000163885660 346580983 /nfs/dbraw/zinc/58/09/83/346580983.db2.gz GSXWBKTYDPQWKZ-VIFPVBQESA-N 1 0 201.291 0.482 10 0 BCAERO C[C@H]1C[NH+]=C(NCCn2ccnn2)S1 ZINC000163913057 346582725 /nfs/dbraw/zinc/58/27/25/346582725.db2.gz WKEPVWZPMQCYRW-ZETCQYMHSA-N 1 0 211.294 0.359 10 0 BCAERO CC(C)[C@@H](C[NH3+])Cn1cc(S(C)(=O)=O)cn1 ZINC000725242040 537984073 /nfs/dbraw/zinc/98/40/73/537984073.db2.gz AXDMFZPAMSKPQD-VIFPVBQESA-N 1 0 245.348 0.518 10 0 BCAERO OCCN1CCC[C@H]([NH2+]C2CCSCC2)C1 ZINC000381859862 346655479 /nfs/dbraw/zinc/65/54/79/346655479.db2.gz VYTLMBQANNLSRQ-LBPRGKRZSA-N 1 0 244.404 0.928 10 0 BCAERO CCN1CC[NH2+][C@@H]2CC[C@H](OC(C)C)N[C@@H]21 ZINC000669380055 537984825 /nfs/dbraw/zinc/98/48/25/537984825.db2.gz HDLBIUZTDBYXLV-GRYCIOLGSA-N 1 0 227.352 0.741 10 0 BCAERO CC[C@@H](O)c1cn([C@@H]2CC[C@H]([NH3+])C2)nn1 ZINC000669380029 537985321 /nfs/dbraw/zinc/98/53/21/537985321.db2.gz FYDMSBFMWBZULT-QXFUBDJGSA-N 1 0 210.281 0.774 10 0 BCAERO C[NH2+][C@H](C)C(=O)N(C)C[C@@H]1CCC[C@H]1O ZINC000580210879 346681883 /nfs/dbraw/zinc/68/18/83/346681883.db2.gz HEHYONJCOSGZFT-KXUCPTDWSA-N 1 0 214.309 0.214 10 0 BCAERO COC[C@H](C)[C@H]1[NH2+]CCc2ncn(C)c21 ZINC000725242517 537985623 /nfs/dbraw/zinc/98/56/23/537985623.db2.gz BAUXMQFFCFZIGJ-WCBMZHEXSA-N 1 0 209.293 0.889 10 0 BCAERO COc1ccc([C@H]2CC[NH2+]C[C@H]2N)cc1C=O ZINC000725242610 537985712 /nfs/dbraw/zinc/98/57/12/537985712.db2.gz LSAIBEBSKZXXGH-VXGBXAGGSA-N 1 0 234.299 0.912 10 0 BCAERO Cc1cc(N)ccc1N[C@H]1C[NH2+]C[C@H]1O ZINC000206325088 346745105 /nfs/dbraw/zinc/74/51/05/346745105.db2.gz GZRYKLNSRFNOMH-WDEREUQCSA-N 1 0 207.277 0.322 10 0 BCAERO CC(C)[C@@H](C)[NH2+][C@H]1COC[C@H]1n1ccnn1 ZINC000378662104 346799923 /nfs/dbraw/zinc/79/99/23/346799923.db2.gz CGSBMKJTTWMPCC-OUAUKWLOSA-N 1 0 224.308 0.852 10 0 BCAERO NC(=O)c1csc(C[NH2+][C@@H]2C[C@H]2CO)c1 ZINC000378679681 346804516 /nfs/dbraw/zinc/80/45/16/346804516.db2.gz UMAFOOIXJUREOM-IMTBSYHQSA-N 1 0 226.301 0.317 10 0 BCAERO Cc1cccc(OCCN2C[C@H]([NH3+])CC2=O)c1 ZINC000042897826 179167700 /nfs/dbraw/zinc/16/77/00/179167700.db2.gz CHDJKKGNDWMWLI-LLVKDONJSA-N 1 0 234.299 0.933 10 0 BCAERO CCc1nnc(CN(C)CC(C)(C)C[NH3+])n1C ZINC000580328813 347166978 /nfs/dbraw/zinc/16/69/78/347166978.db2.gz JFRWXQGTPPLIIG-UHFFFAOYSA-N 1 0 239.367 0.794 10 0 BCAERO [NH3+]C[C@@](O)(C1CCOCC1)C(F)(F)F ZINC000675055151 537987844 /nfs/dbraw/zinc/98/78/44/537987844.db2.gz YWAHUYBWZHOUGA-SSDOTTSWSA-N 1 0 213.199 0.665 10 0 BCAERO CN1CCN(c2ccccc2)[C@H](C2=[NH+]CCN2)C1 ZINC000039187800 347183752 /nfs/dbraw/zinc/18/37/52/347183752.db2.gz VVASLRLWCLWNCC-ZDUSSCGKSA-N 1 0 244.342 0.809 10 0 BCAERO Cn1cc(CC[NH2+][C@@H]2CCCC[C@H]2O)cn1 ZINC000087766617 362786861 /nfs/dbraw/zinc/78/68/61/362786861.db2.gz HLPVIBKTNCGMLJ-VXGBXAGGSA-N 1 0 223.320 0.856 10 0 BCAERO CC(C)O[C@@H]1CC[C@H]2[NH2+]CCN(C)[C@H]2N1 ZINC000669380380 537987720 /nfs/dbraw/zinc/98/77/20/537987720.db2.gz MNVCHEWGKGSOHG-GMTAPVOTSA-N 1 0 213.325 0.351 10 0 BCAERO Cc1cccc([C@@H]([C@@H](C)[NH3+])N2CCNC(=O)C2)c1 ZINC000042965506 179188348 /nfs/dbraw/zinc/18/83/48/179188348.db2.gz UXEWQFQTYJNMFJ-BXUZGUMPSA-N 1 0 247.342 0.815 10 0 BCAERO CCS(=O)(=O)NCC[C@@](C)([NH3+])C(F)F ZINC000669380349 537988030 /nfs/dbraw/zinc/98/80/30/537988030.db2.gz LIJIHRPAKNTSTF-SSDOTTSWSA-N 1 0 230.280 0.298 10 0 BCAERO C[S@@](=O)C1(C[NH2+]CC(C)(C)O)CC1 ZINC000380215046 347228626 /nfs/dbraw/zinc/22/86/26/347228626.db2.gz REIDNOMZSURADP-CYBMUJFWSA-N 1 0 205.323 0.258 10 0 BCAERO CCS(=O)(=O)[C@@H]1C[C@@H](C)CC[C@H]1[NH3+] ZINC000250245540 362797044 /nfs/dbraw/zinc/79/70/44/362797044.db2.gz OUVHSJINOJKYLU-DJLDLDEBSA-N 1 0 205.323 0.937 10 0 BCAERO CSc1nc(N)cc(-n2cccn2)n1 ZINC000087839227 362797266 /nfs/dbraw/zinc/79/72/66/362797266.db2.gz AYPFLRGLZMXWLL-UHFFFAOYSA-N 1 0 207.262 0.966 10 0 BCAERO C[N@H+](C[C@H]1CNCCO1)[C@H]1CCSC1 ZINC000250492853 362806232 /nfs/dbraw/zinc/80/62/32/362806232.db2.gz YLEZZEGXKCKGNP-VHSXEESVSA-N 1 0 216.350 0.412 10 0 BCAERO Cc1cccc([C@H](C[NH3+])N2CCNC(=O)C2)c1 ZINC000042965504 179198361 /nfs/dbraw/zinc/19/83/61/179198361.db2.gz IKVNHDACZUKSRB-LBPRGKRZSA-N 1 0 233.315 0.427 10 0 BCAERO CC(C)OC(=O)CCN1CCCNC(=O)[C@H]1C ZINC000189266247 347300552 /nfs/dbraw/zinc/30/05/52/347300552.db2.gz MAOMBCNJFADNQW-SNVBAGLBSA-N 1 0 242.319 0.539 10 0 BCAERO CCOC(=O)C[C@H](O)C[N@@H+]1C[C@@H](C)C[C@H](O)C1 ZINC000401604658 347342871 /nfs/dbraw/zinc/34/28/71/347342871.db2.gz DOZWSHFKCQZYGY-DCAQKATOSA-N 1 0 245.319 0.003 10 0 BCAERO CN(C)Nc1nc(Cl)nc(N(C)C)[nH+]1 ZINC000149623525 347381684 /nfs/dbraw/zinc/38/16/84/347381684.db2.gz IURKECWUYZERFR-UHFFFAOYSA-N 1 0 216.676 0.480 10 0 BCAERO CCCCOC[C@H](O)C[N@@H+]1CC[C@H]([C@@H](C)O)C1 ZINC000193252040 347394150 /nfs/dbraw/zinc/39/41/50/347394150.db2.gz XQMUGSKTIXWQPP-FRRDWIJNSA-N 1 0 245.363 0.867 10 0 BCAERO CCOCCCCNC(=O)[C@@H](C)[NH2+]C ZINC000388419619 347396933 /nfs/dbraw/zinc/39/69/33/347396933.db2.gz GVMNNCUGRMENSU-SECBINFHSA-N 1 0 202.298 0.527 10 0 BCAERO NC(=O)[C@@H]1CCCC[N@@H+]1[C@H]1CCC(=O)C1 ZINC000250884297 362825187 /nfs/dbraw/zinc/82/51/87/362825187.db2.gz WEAWLJDGESULDL-WPRPVWTQSA-N 1 0 210.277 0.448 10 0 BCAERO C[NH2+][C@H](C)C(=O)N(C)Cc1nccs1 ZINC000388492805 347429178 /nfs/dbraw/zinc/42/91/78/347429178.db2.gz RHRZBNGGLFSSTK-SSDOTTSWSA-N 1 0 213.306 0.709 10 0 BCAERO COC[C@H](C)[NH2+]C[C@H](O)COC[C@H]1CCCO1 ZINC000250993610 362830259 /nfs/dbraw/zinc/83/02/59/362830259.db2.gz NCNLLDBUIDYUKH-SDDRHHMPSA-N 1 0 247.335 0.167 10 0 BCAERO CC1(C)CSC(NCCC(N)=O)=[NH+]1 ZINC000036747639 347449472 /nfs/dbraw/zinc/44/94/72/347449472.db2.gz POWYTMSMXXMXBQ-UHFFFAOYSA-N 1 0 201.295 0.333 10 0 BCAERO C[C@H](O)C[N@H+](C)[C@H]1CCCCC[C@@H]1O ZINC000251056985 362834584 /nfs/dbraw/zinc/83/45/84/362834584.db2.gz BPXHSJRHAMVSEL-DCAQKATOSA-N 1 0 201.310 0.993 10 0 BCAERO C[C@@H]1CN(c2cc(F)ncn2)CC[N@@H+]1C ZINC000150088494 347603317 /nfs/dbraw/zinc/60/33/17/347603317.db2.gz JFGJWBLRWLFUFG-MRVPVSSYSA-N 1 0 210.256 0.756 10 0 BCAERO CCN1CC[C@@H]([NH2+]Cc2c(C)cnn2C)C1 ZINC000394869683 323151749 /nfs/dbraw/zinc/15/17/49/323151749.db2.gz XAZXXGCBTNIMAT-LLVKDONJSA-N 1 0 222.336 0.912 10 0 BCAERO Oc1cc(C2CC2)cc2nc(C3C[NH2+]C3)nn21 ZINC000725243100 537991537 /nfs/dbraw/zinc/99/15/37/537991537.db2.gz KOFGACSGMOUBGT-UHFFFAOYSA-N 1 0 230.271 0.999 10 0 BCAERO CSC[C@@H](C)NC(=O)[C@@H]1C[NH2+]CCOC1 ZINC000591615044 347678468 /nfs/dbraw/zinc/67/84/68/347678468.db2.gz DAWHTEFUKZHGTE-RKDXNWHRSA-N 1 0 232.349 0.090 10 0 BCAERO COC[C@@]1(C(=O)NC[C@H](C)SC)CCC[NH2+]1 ZINC000591631498 347680849 /nfs/dbraw/zinc/68/08/49/347680849.db2.gz TZZVVXCLADGYLN-GXSJLCMTSA-N 1 0 246.376 0.623 10 0 BCAERO Cc1ccccc1C[N@@H+]1CCC[C@@](O)(C(N)=O)C1 ZINC000284728480 179274183 /nfs/dbraw/zinc/27/41/83/179274183.db2.gz CFDRYOAECBAMCO-AWEZNQCLSA-N 1 0 248.326 0.807 10 0 BCAERO Cc1ccccc1C[NH2+]C(C)(CO)CO ZINC000096033140 179281632 /nfs/dbraw/zinc/28/16/32/179281632.db2.gz WBMGSPBPJNPCKC-UHFFFAOYSA-N 1 0 209.289 0.828 10 0 BCAERO C[C@@H](CN(C)C)[NH2+]C[C@H](O)C(C)(C)C ZINC000308524671 347802620 /nfs/dbraw/zinc/80/26/20/347802620.db2.gz IOAKGOYJCJFFOX-UWVGGRQHSA-N 1 0 202.342 0.933 10 0 BCAERO COCCC(=O)N1CC2(C1)CC[NH2+]CC2 ZINC000616569701 347806252 /nfs/dbraw/zinc/80/62/52/347806252.db2.gz CAZULVYXKIBKBY-UHFFFAOYSA-N 1 0 212.293 0.235 10 0 BCAERO CCN1CCN(C(=O)[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000082558917 347827952 /nfs/dbraw/zinc/82/79/52/347827952.db2.gz WUWWUSMPIZANJA-GHMZBOCLSA-N 1 0 225.336 0.006 10 0 BCAERO CCCCOCCNC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000082559706 347829074 /nfs/dbraw/zinc/82/90/74/347829074.db2.gz DSLMWDZHYVDUKI-GHMZBOCLSA-N 1 0 228.336 0.775 10 0 BCAERO CC(C)OCCCNC(=O)[C@@H]1C[NH2+]C[C@@H]1C ZINC000082559743 347829295 /nfs/dbraw/zinc/82/92/95/347829295.db2.gz WINWJMNFOJLAFB-WDEREUQCSA-N 1 0 228.336 0.773 10 0 BCAERO COCC(=O)N1CCOC2(CCC([NH3+])CC2)C1 ZINC000725243834 537993943 /nfs/dbraw/zinc/99/39/43/537993943.db2.gz KGEJUVNLPSVHRF-UHFFFAOYSA-N 1 0 242.319 0.132 10 0 BCAERO C=CC(=O)N[C@H]1C[NH2+]CC[C@H]1C(F)(F)F ZINC000616570062 347900585 /nfs/dbraw/zinc/90/05/85/347900585.db2.gz DYNXEWXFFQNXCM-RQJHMYQMSA-N 1 0 222.210 0.829 10 0 BCAERO COCC(=O)N[C@H]1C[NH2+]CC[C@@H]1CC(C)C ZINC000616570160 347914373 /nfs/dbraw/zinc/91/43/73/347914373.db2.gz MGBACRMQVGZXCX-MNOVXSKESA-N 1 0 228.336 0.773 10 0 BCAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)N(C)[C@H]1C[C@@H](C(N)=O)C1 ZINC000638697175 352535844 /nfs/dbraw/zinc/53/58/44/352535844.db2.gz FQVZSEIRRBYIIR-DOLQZWNJSA-N 1 0 241.335 0.082 10 0 BCAERO CC(C)(C)OC(=O)[C@]1(C[NH3+])CN2CCC1CC2 ZINC000725244274 537995611 /nfs/dbraw/zinc/99/56/11/537995611.db2.gz HBOCPMLZSYEMTA-CYBMUJFWSA-N 1 0 240.347 0.999 10 0 BCAERO C[C@@]1([NH2+]CC2CC2)CCS(=O)(=O)C1 ZINC000036945250 347984901 /nfs/dbraw/zinc/98/49/01/347984901.db2.gz LJHSAQQQORUUKA-SECBINFHSA-N 1 0 203.307 0.563 10 0 BCAERO Cc1ccccc1[C@H](C)NC(=O)[C@@H]1C[NH2+]CCN1 ZINC000062813119 179336096 /nfs/dbraw/zinc/33/60/96/179336096.db2.gz WKTWVLXPABDJHD-AAEUAGOBSA-N 1 0 247.342 0.734 10 0 BCAERO Cc1ccccc1[C@@](C)(NCC[NH+](C)C)C(N)=O ZINC000037951764 179333200 /nfs/dbraw/zinc/33/32/00/179333200.db2.gz IYIBWWVRBAWCGB-CQSZACIVSA-N 1 0 249.358 0.847 10 0 BCAERO C[NH2+]C1(CNC(=O)C2CC2)CCOCC1 ZINC000669381604 537996278 /nfs/dbraw/zinc/99/62/78/537996278.db2.gz PAZRLVHPAXXGIZ-UHFFFAOYSA-N 1 0 212.293 0.281 10 0 BCAERO CC[C@H]1CCN(C(=O)COC)C[C@H]1[NH3+] ZINC000616570682 348079630 /nfs/dbraw/zinc/07/96/30/348079630.db2.gz NWKIBVRECADCTJ-DTWKUNHWSA-N 1 0 200.282 0.219 10 0 BCAERO CC[C@H]1CCN(C(=O)COC)C[C@@H]1[NH3+] ZINC000616570684 348079844 /nfs/dbraw/zinc/07/98/44/348079844.db2.gz NWKIBVRECADCTJ-IUCAKERBSA-N 1 0 200.282 0.219 10 0 BCAERO Cc1ccccc1[C@H](CO)N1CC[NH2+]CC1 ZINC000038120808 179342045 /nfs/dbraw/zinc/34/20/45/179342045.db2.gz GPUYODURJVSNRB-ZDUSSCGKSA-N 1 0 220.316 0.934 10 0 BCAERO C[NH2+][C@H](C)C(=O)NCCCCCC(=O)OC ZINC000594426328 348051965 /nfs/dbraw/zinc/05/19/65/348051965.db2.gz QRIGFDXXDILQLY-SECBINFHSA-N 1 0 230.308 0.444 10 0 BCAERO OC[C@H]1C[C@H](O)C[N@@H+]1CCOCC1CCC1 ZINC000419232016 192112127 /nfs/dbraw/zinc/11/21/27/192112127.db2.gz TYUNGAJWBZDTCU-NEPJUHHUSA-N 1 0 229.320 0.231 10 0 BCAERO Cc1cccnc1C(=O)N1CC[C@@H]([NH3+])[C@H]1C ZINC000309301014 179361837 /nfs/dbraw/zinc/36/18/37/179361837.db2.gz MBOSFHCEAVNSSU-NXEZZACHSA-N 1 0 219.288 0.952 10 0 BCAERO CNC(=O)c1cc2c(NC)cc[nH+]c2[nH]c1=O ZINC000221902087 348194211 /nfs/dbraw/zinc/19/42/11/348194211.db2.gz PYHBNDAEZMDRRZ-UHFFFAOYSA-N 1 0 232.243 0.324 10 0 BCAERO CCOC(=O)CC(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000616571284 348196643 /nfs/dbraw/zinc/19/66/43/348196643.db2.gz WQKOKXQQECKQAJ-BDAKNGLRSA-N 1 0 228.292 0.054 10 0 BCAERO CCCC[NH2+]C[C@@H](O)C[C@@]1(O)CCOC1 ZINC000669381739 537998832 /nfs/dbraw/zinc/99/88/32/537998832.db2.gz UDRPQPFNUXUORP-QWRGUYRKSA-N 1 0 217.309 0.279 10 0 BCAERO O=S1(=O)CC[C@H]([NH2+]CC2CCCC2)C1 ZINC000037258358 348293598 /nfs/dbraw/zinc/29/35/98/348293598.db2.gz LLBVKXZLYZMCKY-JTQLQIEISA-N 1 0 217.334 0.953 10 0 BCAERO O[C@@H]1CCC[N@H+](C[C@H]2CCOCO2)C1 ZINC000251465451 362878665 /nfs/dbraw/zinc/87/86/65/362878665.db2.gz VFVGVULFBZQQKO-NXEZZACHSA-N 1 0 201.266 0.206 10 0 BCAERO CCCC[NH2+]C[C@H](O)C(=O)N1CCCC1 ZINC000669382011 538002337 /nfs/dbraw/zinc/00/23/37/538002337.db2.gz DYQNBSWPHBFYBU-JTQLQIEISA-N 1 0 214.309 0.359 10 0 BCAERO COC(=O)[C@H](C)N1CC[C@@H](C)[C@H]([NH3+])C1 ZINC000251796481 362921633 /nfs/dbraw/zinc/92/16/33/362921633.db2.gz XNQVXDJCXOGDMY-HRDYMLBCSA-N 1 0 200.282 0.217 10 0 BCAERO C[C@@H]1CN(C[C@H]2CC[N@H+](C)C2)CCC1=O ZINC000251785695 362918227 /nfs/dbraw/zinc/91/82/27/362918227.db2.gz NECNCRLVFAYQFW-MNOVXSKESA-N 1 0 210.321 0.849 10 0 BCAERO COC(=O)[C@@]1(C)O[C@@]1(C)CC[NH+](C)C ZINC000669382139 538002640 /nfs/dbraw/zinc/00/26/40/538002640.db2.gz AMYQWJUKJZUDQQ-VHSXEESVSA-N 1 0 201.266 0.659 10 0 BCAERO CCOC(=O)[C@H]1O[C@]1(C)CC[NH+](C)C ZINC000669382124 538003200 /nfs/dbraw/zinc/00/32/00/538003200.db2.gz ALNGDMMRRSLPOL-PSASIEDQSA-N 1 0 201.266 0.659 10 0 BCAERO CS(=O)(=O)N1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000051359196 348440394 /nfs/dbraw/zinc/44/03/94/348440394.db2.gz TWYWCSKUNOGOIL-DTWKUNHWSA-N 1 0 218.322 0.162 10 0 BCAERO COC(=O)c1cncc(NCC23CC(C2)C[NH2+]3)n1 ZINC000596027767 348425415 /nfs/dbraw/zinc/42/54/15/348425415.db2.gz WZCAPSQPSMETRM-UHFFFAOYSA-N 1 0 248.286 0.427 10 0 BCAERO Cc1ccnc([S@@](=O)C[C@H]2CC[NH2+]C2)n1 ZINC000095069294 179469128 /nfs/dbraw/zinc/46/91/28/179469128.db2.gz MFWCXQNJDGFQHA-BJOHPYRUSA-N 1 0 225.317 0.502 10 0 BCAERO COCC[C@H](CO)[NH2+]C[C@@H](O)C(C)(C)C ZINC000308776001 348543409 /nfs/dbraw/zinc/54/34/09/348543409.db2.gz AEXMHZNORFMSJB-NXEZZACHSA-N 1 0 219.325 0.380 10 0 BCAERO COC(=O)[C@@H]1OC12CCC([NH+](C)C)CC2 ZINC000669383206 538008374 /nfs/dbraw/zinc/00/83/74/538008374.db2.gz OGSPRKFMRKIFTC-YUCVTWSNSA-N 1 0 213.277 0.801 10 0 BCAERO C[C@@H]1C[NH2+]C[C@@]12CC1(CC[C@H]2O)OCCO1 ZINC000725246629 538009166 /nfs/dbraw/zinc/00/91/66/538009166.db2.gz ZYVZSKZRLJVXOV-MXWKQRLJSA-N 1 0 227.304 0.500 10 0 BCAERO C[C@H]([NH3+])CC(=O)N[C@@H]1CCC[C@H](O)C1 ZINC000037476470 348620624 /nfs/dbraw/zinc/62/06/24/348620624.db2.gz AFXBLAFLZXUNFW-YIZRAAEISA-N 1 0 200.282 0.143 10 0 BCAERO Cc1cnc(C)c(NCCCN2CC[NH2+]CC2)n1 ZINC000036301760 179580186 /nfs/dbraw/zinc/58/01/86/179580186.db2.gz HCRCTKQVCADFOZ-UHFFFAOYSA-N 1 0 249.362 0.801 10 0 BCAERO Cc1cc(N)ccc1N[C@@H]1C[NH2+]C[C@H]1O ZINC000206325055 348632137 /nfs/dbraw/zinc/63/21/37/348632137.db2.gz GZRYKLNSRFNOMH-GHMZBOCLSA-N 1 0 207.277 0.322 10 0 BCAERO CCCC[NH2+]C[C@]1(O)CCNCC1(F)F ZINC000669383764 538011140 /nfs/dbraw/zinc/01/11/40/538011140.db2.gz YEQHCMKXUGFOIW-SECBINFHSA-N 1 0 222.279 0.736 10 0 BCAERO COc1ccc(N)cc1NC1=[NH+]CCN1 ZINC000521402164 323201250 /nfs/dbraw/zinc/20/12/50/323201250.db2.gz WIYNQEIWFXDHME-UHFFFAOYSA-N 1 0 206.249 0.649 10 0 BCAERO C[NH2+][C@H](C)C(=O)NCCOCCC(C)C ZINC000054076815 348880214 /nfs/dbraw/zinc/88/02/14/348880214.db2.gz IVBBXLIKNMVQLL-SNVBAGLBSA-N 1 0 216.325 0.773 10 0 BCAERO C[NH2+][C@H](C)C(=O)Nc1cccnc1-n1cccn1 ZINC000054074433 348889541 /nfs/dbraw/zinc/88/95/41/348889541.db2.gz ARVAMQOHGDBUJG-SECBINFHSA-N 1 0 245.286 0.814 10 0 BCAERO C[C@@H]1CC[C@H](C2CC[NH2+]CC2)[C@@H](C(=O)[O-])[NH2+]1 ZINC000669385253 538020161 /nfs/dbraw/zinc/02/01/61/538020161.db2.gz UJGGAHKIDBEBEA-IEBDPFPHSA-N 1 0 226.320 0.827 10 0 BCAERO COC[C@H](C)CNC(=O)C[C@H]1CCC[NH2+]C1 ZINC000054292434 348963933 /nfs/dbraw/zinc/96/39/33/348963933.db2.gz KNBOZKJUORJZQP-GHMZBOCLSA-N 1 0 228.336 0.775 10 0 BCAERO C1COC[C@H]([NH2+][C@H]2CN3CCC2CC3)C1 ZINC000071011924 187423641 /nfs/dbraw/zinc/42/36/41/187423641.db2.gz VDJKKEHDAWUZAS-NEPJUHHUSA-N 1 0 210.321 0.849 10 0 BCAERO C[C@H]1CC[C@H](O)C[N@@H+]1CCc1cn[nH]c1 ZINC000399330213 323203969 /nfs/dbraw/zinc/20/39/69/323203969.db2.gz OEHRRXRVEKIKLM-ONGXEEELSA-N 1 0 209.293 0.797 10 0 BCAERO NC(=O)CN1CCCC[C@H]2[NH2+]CCC[C@H]21 ZINC000616577106 349106643 /nfs/dbraw/zinc/10/66/43/349106643.db2.gz FEWQNVXPUDLYLS-NXEZZACHSA-N 1 0 211.309 0.078 10 0 BCAERO CC[C@H]1CCN(C(=O)C2CCOCC2)C[C@@H]1[NH3+] ZINC000616573047 349064433 /nfs/dbraw/zinc/06/44/33/349064433.db2.gz YQHKZYFUBJNTPA-JQWIXIFHSA-N 1 0 240.347 0.999 10 0 BCAERO OCC[NH2+][C@H]1CCCN2CCSC[C@H]12 ZINC000616577780 349119587 /nfs/dbraw/zinc/11/95/87/349119587.db2.gz MBTJSGROICKYKU-VHSXEESVSA-N 1 0 216.350 0.148 10 0 BCAERO C[C@@H]1C[NH2+]CC[C@H]1n1cc(S(C)(=O)=O)cn1 ZINC000725252027 538031768 /nfs/dbraw/zinc/03/17/68/538031768.db2.gz JQMLHFUDPTXFST-PSASIEDQSA-N 1 0 243.332 0.457 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)NCC[C@H]2CC[NH2+]C2)O1 ZINC000251574968 349188296 /nfs/dbraw/zinc/18/82/96/349188296.db2.gz BVAUASRPSCFAGD-GMTAPVOTSA-N 1 0 226.320 0.670 10 0 BCAERO C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CC[C@H](C)O2)C1 ZINC000251648964 349189444 /nfs/dbraw/zinc/18/94/44/349189444.db2.gz FMMINFHKDSRGBU-DCAQKATOSA-N 1 0 226.320 0.622 10 0 BCAERO C[NH2+]C[C@]1(O)CCN(c2ccc(F)cn2)C1 ZINC000616579432 349161356 /nfs/dbraw/zinc/16/13/56/349161356.db2.gz RBAAXLJACAVWIA-LLVKDONJSA-N 1 0 225.267 0.381 10 0 BCAERO CS(=O)(=O)c1cnn([C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000725251484 538029866 /nfs/dbraw/zinc/02/98/66/538029866.db2.gz ADKDLOOQUNDDFE-BDAKNGLRSA-N 1 0 243.332 0.729 10 0 BCAERO CS(=O)(=O)c1cnn([C@H]2CCC[C@@H]2C[NH3+])c1 ZINC000725251576 538030897 /nfs/dbraw/zinc/03/08/97/538030897.db2.gz BXKHDTNQFWZHSM-SCZZXKLOSA-N 1 0 243.332 0.587 10 0 BCAERO CC[C@@H](C[NH3+])n1cc(S(C)(=O)=O)cn1 ZINC000725251591 538030903 /nfs/dbraw/zinc/03/09/03/538030903.db2.gz CAAPRRNMPVXPDN-ZETCQYMHSA-N 1 0 217.294 0.196 10 0 BCAERO CS(=O)(=O)c1cnn(C[C@H]2CC[C@@H]([NH3+])C2)c1 ZINC000725252915 538034498 /nfs/dbraw/zinc/03/44/98/538034498.db2.gz PMIICZQSSNMNFB-DTWKUNHWSA-N 1 0 243.332 0.414 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)O1 ZINC000253195774 349228148 /nfs/dbraw/zinc/22/81/48/349228148.db2.gz RXWQBSOWZXGHCN-WHOHXGKFSA-N 1 0 240.347 0.997 10 0 BCAERO C[C@H]1CN(C[C@@H]2C[NH2+]CCO2)CCS1 ZINC000123411926 490233749 /nfs/dbraw/zinc/23/37/49/490233749.db2.gz FKFBGMRJAYWSAV-UWVGGRQHSA-N 1 0 216.350 0.412 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)N[C@H]2CC[NH2+]C[C@@H]2C)O1 ZINC000251990181 349195034 /nfs/dbraw/zinc/19/50/34/349195034.db2.gz ZGGOGNHDWCGOBW-ZRUFSTJUSA-N 1 0 226.320 0.668 10 0 BCAERO C[C@H](CC(N)=[NH2+])n1cc(S(C)(=O)=O)cn1 ZINC000725252441 538033612 /nfs/dbraw/zinc/03/36/12/538033612.db2.gz SRMANZMKHVLZDE-ZCFIWIBFSA-N 1 0 230.293 0.174 10 0 BCAERO C[NH2+][C@H](Cn1cc(S(C)(=O)=O)cn1)C1CC1 ZINC000725252231 538033852 /nfs/dbraw/zinc/03/38/52/538033852.db2.gz KZZIXLCZOBPXGF-SNVBAGLBSA-N 1 0 243.332 0.285 10 0 BCAERO CC[NH2+]C[C@@H]1C[C@]12CCS(=O)(=O)C2 ZINC000062963561 349292671 /nfs/dbraw/zinc/29/26/71/349292671.db2.gz VFOWAEACUGGKTI-IUCAKERBSA-N 1 0 203.307 0.421 10 0 BCAERO Cc1n[nH]c(C)c1NC(=O)C1(C[NH3+])CC1 ZINC000082640707 179826614 /nfs/dbraw/zinc/82/66/14/179826614.db2.gz DCGRESGYZZKDMF-UHFFFAOYSA-N 1 0 208.265 0.704 10 0 BCAERO Cc1ccn(CCC(=O)N2CCC[NH2+]CC2)n1 ZINC000020205334 190981714 /nfs/dbraw/zinc/98/17/14/190981714.db2.gz KHRHUHCUXPNYPY-UHFFFAOYSA-N 1 0 236.319 0.404 10 0 BCAERO CC[NH2+][C@@H](C)CCn1cc(S(C)(=O)=O)cn1 ZINC000725253575 538037864 /nfs/dbraw/zinc/03/78/64/538037864.db2.gz XRFHRAXDWLPGOM-VIFPVBQESA-N 1 0 245.348 0.675 10 0 BCAERO [NH3+]C[C@@]1(O)CCN(c2ccc(F)cn2)C1 ZINC000616580638 349258993 /nfs/dbraw/zinc/25/89/93/349258993.db2.gz YRAIKQIHWQSJLD-JTQLQIEISA-N 1 0 211.240 0.121 10 0 BCAERO CC(C)[C@H]([NH3+])CN1CCS(=O)CC1 ZINC000049692947 187435053 /nfs/dbraw/zinc/43/50/53/187435053.db2.gz NDDXGEAOMKYAAU-SECBINFHSA-N 1 0 204.339 0.034 10 0 BCAERO C[C@H](C[N@@H+]1CC[C@H](C)[C@@H](O)C1)C(N)=S ZINC000299901049 349314113 /nfs/dbraw/zinc/31/41/13/349314113.db2.gz ALKGIJSOCKSMLW-YIZRAAEISA-N 1 0 216.350 0.611 10 0 BCAERO CC(C)S(=O)(=O)CCN1CCC[C@H](C[NH3+])C1 ZINC000217933762 535095181 /nfs/dbraw/zinc/09/51/81/535095181.db2.gz XDRPQBPSRQQVKQ-LLVKDONJSA-N 1 0 248.392 0.480 10 0 BCAERO C[NH2+][C@H](C)[C@@H](C)n1cc(S(C)(=O)=O)cn1 ZINC000725253634 538040142 /nfs/dbraw/zinc/04/01/42/538040142.db2.gz YKVMNAXKGIVHFJ-HTQZYQBOSA-N 1 0 231.321 0.456 10 0 BCAERO C[C@H]1C[NH2+]CCN1c1ncnc2c1CCC2 ZINC000061277747 349373758 /nfs/dbraw/zinc/37/37/58/349373758.db2.gz OTHANZIZHVHSAI-VIFPVBQESA-N 1 0 218.304 0.763 10 0 BCAERO CSCCNC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000601970784 349408002 /nfs/dbraw/zinc/40/80/02/349408002.db2.gz PULPVZACBWFMIC-ONGXEEELSA-N 1 0 228.361 0.855 10 0 BCAERO C[C@@H]1[NH2+]CCC/C1=C\CS(C)(=O)=O ZINC000396674293 349427498 /nfs/dbraw/zinc/42/74/98/349427498.db2.gz SDVJKDUBHNKPTM-MOIHINDBSA-N 1 0 203.307 0.729 10 0 BCAERO C[NH+](C)[C@@H]1CCN(c2cc(C#N)cnn2)C1 ZINC000396975136 350016802 /nfs/dbraw/zinc/01/68/02/350016802.db2.gz FEQWOINEPGQICM-SNVBAGLBSA-N 1 0 217.276 0.489 10 0 BCAERO C[C@H]1CCCN(c2ccc(C#N)nn2)[C@@H]1C[NH3+] ZINC000396979047 350023205 /nfs/dbraw/zinc/02/32/05/350023205.db2.gz RBYKPGSHQANUBB-GXSJLCMTSA-N 1 0 231.303 0.912 10 0 BCAERO CCOC[C@@H]1C[NH2+]C[C@H]1c1cnn(C)c1 ZINC000384103951 349419846 /nfs/dbraw/zinc/41/98/46/349419846.db2.gz IZMJNDJSCSTSRX-QWRGUYRKSA-N 1 0 209.293 0.760 10 0 BCAERO Cn1nnnc1N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000302375190 350083790 /nfs/dbraw/zinc/08/37/90/350083790.db2.gz LHJFZQBLYWNSKF-WDEREUQCSA-N 1 0 244.302 0.141 10 0 BCAERO C[C@@H]1CN(c2cc(C#N)cnn2)C[C@@H]1[NH+](C)C ZINC000397003534 350034423 /nfs/dbraw/zinc/03/44/23/350034423.db2.gz VCFPSVIHOSEYGT-KOLCDFICSA-N 1 0 231.303 0.735 10 0 BCAERO Cc1nc(CNC(=O)[C@@H]2CCC[C@@H]2C[NH3+])no1 ZINC000227428752 179966279 /nfs/dbraw/zinc/96/62/79/179966279.db2.gz JAXCDADIDCLKJH-RKDXNWHRSA-N 1 0 238.291 0.369 10 0 BCAERO CN(C(=[NH2+])C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000062990917 350100575 /nfs/dbraw/zinc/10/05/75/350100575.db2.gz XKCICOYOLKWLLP-QMMMGPOBSA-N 1 0 216.306 0.493 10 0 BCAERO CCC(=[NH2+])NC[C@@H]1CCS(=O)(=O)C1 ZINC000062991128 350100585 /nfs/dbraw/zinc/10/05/85/350100585.db2.gz VHPQGMLLOFDGFJ-ZETCQYMHSA-N 1 0 204.295 0.398 10 0 BCAERO CCCC(=[NH2+])NC1CCS(=O)(=O)CC1 ZINC000062990785 350100996 /nfs/dbraw/zinc/10/09/96/350100996.db2.gz MJLPBYCPXMWBOC-UHFFFAOYSA-N 1 0 218.322 0.931 10 0 BCAERO Cn1nccc1CNC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000071334886 350102322 /nfs/dbraw/zinc/10/23/22/350102322.db2.gz ZUYVDNWSIMLHJR-JTQLQIEISA-N 1 0 236.319 0.426 10 0 BCAERO C[NH2+][C@@H]1CCN(c2ccc(Cl)nn2)C1 ZINC000150277474 350110608 /nfs/dbraw/zinc/11/06/08/350110608.db2.gz BPHBWBXKACJMPF-SSDOTTSWSA-N 1 0 212.684 0.928 10 0 BCAERO C1CC1n1nnnc1S[C@H]1CC[NH2+]C1 ZINC000051783990 350110832 /nfs/dbraw/zinc/11/08/32/350110832.db2.gz SPOJEFKILBMKRI-ZETCQYMHSA-N 1 0 211.294 0.462 10 0 BCAERO C[C@@H]1CC[N@H+](C[C@](C)(N)C(N)=O)[C@H](C)C1 ZINC000051747661 350088127 /nfs/dbraw/zinc/08/81/27/350088127.db2.gz IRIPNHCVHGZTNM-KKZNHRDASA-N 1 0 213.325 0.310 10 0 BCAERO Cc1nc(N2CCNC(=O)C2)sc1[C@H](C)[NH3+] ZINC000054864397 180003061 /nfs/dbraw/zinc/00/30/61/180003061.db2.gz YSHGIAAIIUVZPS-LURJTMIESA-N 1 0 240.332 0.407 10 0 BCAERO CCC(=[NH2+])N[C@@]1(C)CCS(=O)(=O)C1 ZINC000062992529 350112484 /nfs/dbraw/zinc/11/24/84/350112484.db2.gz MYEPKIFKCWXUCL-QMMMGPOBSA-N 1 0 204.295 0.540 10 0 BCAERO Cc1nc(NC2CC[NH2+]CC2)[nH]c(=O)c1C ZINC000045946875 180016270 /nfs/dbraw/zinc/01/62/70/180016270.db2.gz SVUKNFVMNYLHPL-UHFFFAOYSA-N 1 0 222.292 0.551 10 0 BCAERO C[NH2+][C@@H](C(N)=O)[C@H](C)n1ncc(Cl)c1C ZINC000725255786 538052938 /nfs/dbraw/zinc/05/29/38/538052938.db2.gz AZWCGGNXNDIPLF-POYBYMJQSA-N 1 0 230.699 0.479 10 0 BCAERO COCCOC[C@@H]([NH3+])CC(F)(F)F ZINC000725255240 538051149 /nfs/dbraw/zinc/05/11/49/538051149.db2.gz HINYBJPILDYYJM-LURJTMIESA-N 1 0 201.188 0.929 10 0 BCAERO CCCCC(=O)N1CCN([C@H](C)C[NH3+])CC1 ZINC000082427330 168613587 /nfs/dbraw/zinc/61/35/87/168613587.db2.gz DTTCYKPRUUDOBS-LLVKDONJSA-N 1 0 227.352 0.668 10 0 BCAERO CC(C)NC(=O)CC[NH2+]C[C@@H](O)C(C)(C)C ZINC000304282950 350149665 /nfs/dbraw/zinc/14/96/65/350149665.db2.gz XPWXUDCZODIROQ-SNVBAGLBSA-N 1 0 230.352 0.898 10 0 BCAERO Cc1[nH+]c2cc(N)ccc2n1CC(N)=O ZINC000052852233 180081079 /nfs/dbraw/zinc/08/10/79/180081079.db2.gz IJXKOIFAKULTHL-UHFFFAOYSA-N 1 0 204.233 0.412 10 0 BCAERO CCC1CCC2(CC1)[C@@H]([NH3+])CS(=O)(=O)N2C ZINC000725256404 538056401 /nfs/dbraw/zinc/05/64/01/538056401.db2.gz JZNVWXMRIVWEDH-YVNMAJEFSA-N 1 0 246.376 0.928 10 0 BCAERO COCCOCCC[NH2+][C@@H]1CCCC[C@H]1O ZINC000219947528 350151492 /nfs/dbraw/zinc/15/14/92/350151492.db2.gz HEBHJYFAHZAIMU-VXGBXAGGSA-N 1 0 231.336 0.933 10 0 BCAERO C[NH2+][C@H](C)C(=O)N1CCC2(C1)CCOCC2 ZINC000304418241 350155959 /nfs/dbraw/zinc/15/59/59/350155959.db2.gz QPKKXRFXKKIMBE-SNVBAGLBSA-N 1 0 226.320 0.623 10 0 BCAERO Cc1nc2ccccc2n(CCOCC[NH3+])c1=O ZINC000076883144 180101625 /nfs/dbraw/zinc/10/16/25/180101625.db2.gz WWOSFKZOTSHWRC-UHFFFAOYSA-N 1 0 247.298 0.680 10 0 BCAERO [NH3+]CCOC1CCN(C(F)(F)F)CC1 ZINC000095077605 191053751 /nfs/dbraw/zinc/05/37/51/191053751.db2.gz VBPHYRLMHLVUBC-UHFFFAOYSA-N 1 0 212.215 0.946 10 0 BCAERO Cc1nc[nH]c1C[NH2+][C@@H]1CCCCNC1=O ZINC000054795099 180121255 /nfs/dbraw/zinc/12/12/55/180121255.db2.gz VTMALWCMFKISPC-SECBINFHSA-N 1 0 222.292 0.476 10 0 BCAERO Cc1nnc2c(NC[C@@H](C)C[NH3+])nccn12 ZINC000083387559 350192787 /nfs/dbraw/zinc/19/27/87/350192787.db2.gz VUSQHXPLKWVWQL-ZETCQYMHSA-N 1 0 220.280 0.439 10 0 BCAERO Cc1ncc(N)cc1C(=O)N[C@@H]1CC[N@@H+](C)C1 ZINC000042543644 180163566 /nfs/dbraw/zinc/16/35/66/180163566.db2.gz FTFGOKBTBRLLRT-SNVBAGLBSA-N 1 0 234.303 0.406 10 0 BCAERO C[C@@H](C[NH3+])CNc1ccnc(C(N)=O)c1 ZINC000083402335 350195869 /nfs/dbraw/zinc/19/58/69/350195869.db2.gz YZNHLNKOQJTFBC-ZETCQYMHSA-N 1 0 208.265 0.187 10 0 BCAERO C[C@@H]([NH3+])c1nc(-c2ccnn2C)cc(=O)[nH]1 ZINC000725257824 538068169 /nfs/dbraw/zinc/06/81/69/538068169.db2.gz XYRQBKOZJZWWEW-ZCFIWIBFSA-N 1 0 219.248 0.602 10 0 BCAERO C[C@@H](C[NH3+])C(=O)N[C@H]1CCCSC1 ZINC000220736093 350183819 /nfs/dbraw/zinc/18/38/19/350183819.db2.gz IOFZTGZAVATAJX-YUMQZZPRSA-N 1 0 202.323 0.593 10 0 BCAERO COc1c(C[NH2+][C@@H](C)CCCO)c(C)nn1C ZINC000123020492 191073525 /nfs/dbraw/zinc/07/35/25/191073525.db2.gz KDZAKGKDKADJIE-VIFPVBQESA-N 1 0 241.335 0.988 10 0 BCAERO [NH3+][C@H]1CCN(C2CCSCC2)C1=O ZINC000220775450 350186700 /nfs/dbraw/zinc/18/67/00/350186700.db2.gz GBCPDFXWOMUGTH-QMMMGPOBSA-N 1 0 200.307 0.442 10 0 BCAERO CC(C)S(=O)(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725258154 538072100 /nfs/dbraw/zinc/07/21/00/538072100.db2.gz IZVSLWAGVVFECO-UHFFFAOYSA-N 1 0 244.320 0.178 10 0 BCAERO Cc1nccc(CN2CC[C@@H]([NH3+])[C@H](C)C2)n1 ZINC000044994809 180186684 /nfs/dbraw/zinc/18/66/84/180186684.db2.gz OJZCKJRPULGOIT-BXKDBHETSA-N 1 0 220.320 0.954 10 0 BCAERO Cc1nccc(CNC(=O)c2c[nH+]ccc2N)n1 ZINC000127371335 180187057 /nfs/dbraw/zinc/18/70/57/180187057.db2.gz HOYRHXDBEOCIPK-UHFFFAOYSA-N 1 0 243.270 0.692 10 0 BCAERO Cc1nccc(CNC(=O)[C@H]2CC[C@H]([NH3+])C2)n1 ZINC000091539513 180187114 /nfs/dbraw/zinc/18/71/14/180187114.db2.gz RPRNTHUILQCKQA-UWVGGRQHSA-N 1 0 234.303 0.529 10 0 BCAERO Cc1nccc(CNC(=O)[C@H]2CCC[NH2+]C2)n1 ZINC000038038100 180187648 /nfs/dbraw/zinc/18/76/48/180187648.db2.gz VZAAAOQNKSNYGK-JTQLQIEISA-N 1 0 234.303 0.401 10 0 BCAERO Cc1nccc(C[NH2+]C[C@H]2COCCO2)n1 ZINC000054790791 180189419 /nfs/dbraw/zinc/18/94/19/180189419.db2.gz MJTSRBIRZZTXRC-NSHDSACASA-N 1 0 223.276 0.290 10 0 BCAERO CCNC(=S)Nc1ccnn1C1C[NH2+]C1 ZINC000725258465 538075044 /nfs/dbraw/zinc/07/50/44/538075044.db2.gz PYODFIMYRIDAHH-UHFFFAOYSA-N 1 0 225.321 0.334 10 0 BCAERO C[NH+](C)CCn1nc(N)nc1Br ZINC000231801772 538076225 /nfs/dbraw/zinc/07/62/25/538076225.db2.gz RAMQWJDZMICTLZ-UHFFFAOYSA-N 1 0 234.101 0.184 10 0 BCAERO Cc1nccn1CCN1CCC[NH2+]CC1 ZINC000049329233 180251356 /nfs/dbraw/zinc/25/13/56/180251356.db2.gz ZKQAKNPKVBKPIA-UHFFFAOYSA-N 1 0 208.309 0.487 10 0 BCAERO Cc1nccn1CCN1CC[NH2+]C[C@H]1C ZINC000054374741 180254631 /nfs/dbraw/zinc/25/46/31/180254631.db2.gz YORNDZIBEHOXMO-SNVBAGLBSA-N 1 0 208.309 0.485 10 0 BCAERO [NH3+][C@H]1CCN(Cc2ccccc2)C[C@H]1O ZINC000034122521 350256159 /nfs/dbraw/zinc/25/61/59/350256159.db2.gz FSWGELBQIPNBFM-NWDGAFQWSA-N 1 0 206.289 0.581 10 0 BCAERO Cc1nccn1[C@H]1CC2(CC[C@H]1[NH3+])OCCO2 ZINC000019256834 180272584 /nfs/dbraw/zinc/27/25/84/180272584.db2.gz YXISUKMQVJGIAG-MNOVXSKESA-N 1 0 237.303 0.987 10 0 BCAERO C[C@@H]1CCC[N@H+](CC[C@@H]([NH3+])C(=O)[O-])[C@H]1C ZINC000252231874 538086572 /nfs/dbraw/zinc/08/65/72/538086572.db2.gz ZZUVEDJTBZBBFV-KXUCPTDWSA-N 1 0 214.309 0.909 10 0 BCAERO Cc1nccn1CC[NH2+][C@H]1CCC(=O)N[C@H]1C ZINC000282274140 180263376 /nfs/dbraw/zinc/26/33/76/180263376.db2.gz HVDNBWYUBRKAIH-ONGXEEELSA-N 1 0 236.319 0.448 10 0 BCAERO Cc1nccn1CC[NH2+][C@H]1CCN(C)C1 ZINC000049330383 180263540 /nfs/dbraw/zinc/26/35/40/180263540.db2.gz YNHFGKMOUDJPLS-NSHDSACASA-N 1 0 208.309 0.485 10 0 BCAERO Cc1nccn1C[C@@H]1CCC[N@@H+]1[C@@H]1CCNC1=O ZINC000178208087 180265474 /nfs/dbraw/zinc/26/54/74/180265474.db2.gz WLEGFJWKVGQNLC-NWDGAFQWSA-N 1 0 248.330 0.544 10 0 BCAERO CN(CC(F)(F)F)[C@H]1COCC[C@@H]1[NH3+] ZINC000037664551 350286170 /nfs/dbraw/zinc/28/61/70/350286170.db2.gz BHBWSRSVMMERAR-BQBZGAKWSA-N 1 0 212.215 0.597 10 0 BCAERO COC[C@H](C)NC(=O)C[C@@H]1CC[NH2+]C1 ZINC000084381458 538083843 /nfs/dbraw/zinc/08/38/43/538083843.db2.gz ASQAFVWBWTWXBV-IUCAKERBSA-N 1 0 200.282 0.137 10 0 BCAERO CC[C@@H](C)NC(=O)CC[NH2+]CC(C)(C)O ZINC000038014349 350298293 /nfs/dbraw/zinc/29/82/93/350298293.db2.gz PETBGAYYZXHBCC-SECBINFHSA-N 1 0 216.325 0.652 10 0 BCAERO C(NC1=[NH+]CCS1)[C@@H]1COCCO1 ZINC000038062791 350301266 /nfs/dbraw/zinc/30/12/66/350301266.db2.gz WKQZLPYATAWXNB-SSDOTTSWSA-N 1 0 202.279 0.094 10 0 BCAERO C[NH2+][C@H](C)[C@@H](C)[C@@H]1CCS(=O)(=O)C1 ZINC000038085401 350304510 /nfs/dbraw/zinc/30/45/10/350304510.db2.gz NSAYVBOQIWPFKS-IWSPIJDZSA-N 1 0 205.323 0.665 10 0 BCAERO O=S1(=O)CC[C@H](C[NH2+][C@H]2CCSC2)C1 ZINC000038082563 350305635 /nfs/dbraw/zinc/30/56/35/350305635.db2.gz XTPFLHCDNSLSIV-BDAKNGLRSA-N 1 0 235.374 0.516 10 0 BCAERO CCOC(=O)c1cccnc1N1CC[C@@H]([NH3+])C1 ZINC000050244125 350316379 /nfs/dbraw/zinc/31/63/79/350316379.db2.gz BERRGTZVLFDVAQ-SECBINFHSA-N 1 0 235.287 0.796 10 0 BCAERO Cc1nccnc1[S@](=O)[C@@H]1CCC[NH2+]C1 ZINC000095068782 180283156 /nfs/dbraw/zinc/28/31/56/180283156.db2.gz SUUZZNFFMRXMSS-PSLIRLAXSA-N 1 0 225.317 0.645 10 0 BCAERO Cc1nccnc1[S@](=O)C[C@H]1CCC[NH2+]1 ZINC000095068794 180284094 /nfs/dbraw/zinc/28/40/94/180284094.db2.gz LOWJHGORXZVWEC-PSLIRLAXSA-N 1 0 225.317 0.645 10 0 BCAERO CC[C@](C)(C(=O)[O-])[N@@H+]1CCC[NH2+]CC1 ZINC000037958894 350293662 /nfs/dbraw/zinc/29/36/62/350293662.db2.gz SYAZOAFAGZXUAM-SNVBAGLBSA-N 1 0 200.282 0.535 10 0 BCAERO C[C@@H]1CSCCN1C[C@@]1([NH3+])CCOC1 ZINC000224814177 350341373 /nfs/dbraw/zinc/34/13/73/350341373.db2.gz CMOSJKYOCLHGDT-ZJUUUORDSA-N 1 0 216.350 0.542 10 0 BCAERO Cc1ncoc1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000132559501 180300160 /nfs/dbraw/zinc/30/01/60/180300160.db2.gz QIFMLOJNVSPLJV-ULKQDVFKSA-N 1 0 235.287 0.996 10 0 BCAERO Cc1ncsc1C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000235328912 180304141 /nfs/dbraw/zinc/30/41/41/180304141.db2.gz BLIFNIUFIRULKA-HTRCEHHLSA-N 1 0 225.317 0.871 10 0 BCAERO CSCC[C@H]([NH3+])C(=O)N[C@@H]1CCC[C@@H](O)C1 ZINC000040462092 350364081 /nfs/dbraw/zinc/36/40/81/350364081.db2.gz BFTDBYOAVMVIMK-BBBLOLIVSA-N 1 0 246.376 0.487 10 0 BCAERO C[C@@H]1COC[C@@H](C)N1C(=O)CCCC[NH3+] ZINC000309386480 350366974 /nfs/dbraw/zinc/36/69/74/350366974.db2.gz FDDXBHGDNLPYMX-NXEZZACHSA-N 1 0 214.309 0.751 10 0 BCAERO Cc1nn(-c2ncccn2)c(C)c1C[NH3+] ZINC000035728336 180332308 /nfs/dbraw/zinc/33/23/08/180332308.db2.gz RGAAXPKEUCNKDU-UHFFFAOYSA-N 1 0 203.249 0.738 10 0 BCAERO Cc1nn(C)c(C)c1NC(=O)[C@@H]1CC[NH2+]C1 ZINC000062116308 180342853 /nfs/dbraw/zinc/34/28/53/180342853.db2.gz RDJDZVGFXXEFFU-SECBINFHSA-N 1 0 222.292 0.585 10 0 BCAERO Cc1nn(C)c(C)c1[C@H]([NH2+]CC1CC1)C(N)=O ZINC000037947210 180348888 /nfs/dbraw/zinc/34/88/88/180348888.db2.gz YYWUTJBVKJYMHJ-NSHDSACASA-N 1 0 236.319 0.563 10 0 BCAERO CC(C)[C@@H](CO)NC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000127539019 490516830 /nfs/dbraw/zinc/51/68/30/490516830.db2.gz ZFEXOOQFYSOIBF-ZYHUDNBSSA-N 1 0 228.336 0.652 10 0 BCAERO Cc1nn(C)c(OCCOC(C)C)c1C(N)=[NH2+] ZINC000104312554 180359431 /nfs/dbraw/zinc/35/94/31/180359431.db2.gz QSBPYTNJADZLEZ-UHFFFAOYSA-N 1 0 240.307 0.816 10 0 BCAERO Cc1nn(C)c2ncc(C[NH2+][C@@H](C)C(N)=O)cc12 ZINC000070164466 180366046 /nfs/dbraw/zinc/36/60/46/180366046.db2.gz MDQCHEMDHAUDSZ-QMMMGPOBSA-N 1 0 247.302 0.240 10 0 BCAERO Cc1nn(C)cc1C[NH2+][C@H]1CCC(=O)N[C@@H]1C ZINC000282222156 180375269 /nfs/dbraw/zinc/37/52/69/180375269.db2.gz DYOFCMFJNXERAK-KOLCDFICSA-N 1 0 236.319 0.485 10 0 BCAERO Cc1nn(C)cc1C[NH2+][C@@H]1CCO[C@@H]1C ZINC000126287444 180375799 /nfs/dbraw/zinc/37/57/99/180375799.db2.gz NCDDXRSLFJMMNI-MWLCHTKSSA-N 1 0 209.293 0.996 10 0 BCAERO CCn1ncnc1-c1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000725266112 538094426 /nfs/dbraw/zinc/09/44/26/538094426.db2.gz NSKXINCVJXKMTH-SECBINFHSA-N 1 0 247.306 0.481 10 0 BCAERO CC[NH2+]CCNc1ncnc2c1CCC2 ZINC000061277731 350513206 /nfs/dbraw/zinc/51/32/06/350513206.db2.gz VAOAZEOBSABDPZ-UHFFFAOYSA-N 1 0 206.293 0.987 10 0 BCAERO CC[N@@H+]1CCC[C@H](NC(=O)COC)C1 ZINC000059892110 350495782 /nfs/dbraw/zinc/49/57/82/350495782.db2.gz WMYSWLXMIHJZDQ-VIFPVBQESA-N 1 0 200.282 0.233 10 0 BCAERO COc1cccnc1NC[C@H]1C[NH2+]CCO1 ZINC000159440101 350534227 /nfs/dbraw/zinc/53/42/27/350534227.db2.gz AUHQBSKNPFSRMF-SECBINFHSA-N 1 0 223.276 0.491 10 0 BCAERO CC(=O)N[C@@H]1CCCN(C(=O)[C@@H](C)[C@H](C)[NH3+])C1 ZINC000248501271 191108255 /nfs/dbraw/zinc/10/82/55/191108255.db2.gz TUBOACXGNIRFPP-ATZCPNFKSA-N 1 0 241.335 0.097 10 0 BCAERO C[C@@H](C[N@@H+]1CCN(C)[C@@H](C)C1)C(N)=S ZINC000216560972 350569386 /nfs/dbraw/zinc/56/93/86/350569386.db2.gz NTDFTJZWDNDRIR-IUCAKERBSA-N 1 0 215.366 0.545 10 0 BCAERO CC[C@@H]([NH3+])C(=O)N1CCC[C@@H](C(=O)OC)C1 ZINC000152862318 362967438 /nfs/dbraw/zinc/96/74/38/362967438.db2.gz UKULXOFYMVTWIG-RKDXNWHRSA-N 1 0 228.292 0.135 10 0 BCAERO COc1ccc2[nH]c([C@H]([NH3+])CO)nc2c1 ZINC000083187395 538095778 /nfs/dbraw/zinc/09/57/78/538095778.db2.gz SGJABBSOHQCUKJ-SSDOTTSWSA-N 1 0 207.233 0.564 10 0 BCAERO Cc1nnc(CN2CCC[C@H]([NH3+])C2)n1C ZINC000041029078 180408019 /nfs/dbraw/zinc/40/80/19/180408019.db2.gz BSBSVAMRXHNHKN-VIFPVBQESA-N 1 0 209.297 0.047 10 0 BCAERO OCC[N@@H+]1CCO[C@H](c2cncnc2)CC1 ZINC000616594047 350589875 /nfs/dbraw/zinc/58/98/75/350589875.db2.gz MXVYMFAZYVUHKD-NSHDSACASA-N 1 0 223.276 0.232 10 0 BCAERO Cc1nnsc1C(=O)N[C@@H]1CCCC[C@@H]1[NH3+] ZINC000038048628 180455797 /nfs/dbraw/zinc/45/57/97/180455797.db2.gz KQYOQTLLJQSJBR-JGVFFNPUSA-N 1 0 240.332 0.846 10 0 BCAERO COCC[NH2+]CC[C@@H](CO)[C@@H]1COC(C)(C)O1 ZINC000725266921 538097782 /nfs/dbraw/zinc/09/77/82/538097782.db2.gz MLPOPXKCDGOJEQ-QWRGUYRKSA-N 1 0 247.335 0.373 10 0 BCAERO OCC[N@@H+]1CCCO[C@@H](c2ccccn2)C1 ZINC000616597181 350643642 /nfs/dbraw/zinc/64/36/42/350643642.db2.gz AWTXPKZUWUVPCR-GFCCVEGCSA-N 1 0 222.288 0.837 10 0 BCAERO Cn1ccc(C(=O)N[C@@H]2CCC[C@@H]2C[NH3+])n1 ZINC000231889818 350644383 /nfs/dbraw/zinc/64/43/83/350644383.db2.gz KQAJPVVKUXFJDU-RKDXNWHRSA-N 1 0 222.292 0.277 10 0 BCAERO [NH3+]CCN1CCO[C@H](n2ccnc2)CC1 ZINC000616596203 350631054 /nfs/dbraw/zinc/63/10/54/350631054.db2.gz ZYOIJPAHVLRYAI-JTQLQIEISA-N 1 0 210.281 0.063 10 0 BCAERO CC(C)[C@H](C[NH3+])C(=O)N1CCC[C@H](O)C1 ZINC000044804685 187462777 /nfs/dbraw/zinc/46/27/77/187462777.db2.gz CNAOQSFXXPLHJR-UWVGGRQHSA-N 1 0 214.309 0.201 10 0 BCAERO [NH3+]CCN1CCCO[C@@H](c2cn[nH]c2)C1 ZINC000616598684 350685339 /nfs/dbraw/zinc/68/53/39/350685339.db2.gz PFFFPLBFXAWQQL-SNVBAGLBSA-N 1 0 210.281 0.132 10 0 BCAERO OCC[N@@H+]1CCCO[C@@H](c2ccnnc2)C1 ZINC000616598727 350688353 /nfs/dbraw/zinc/68/83/53/350688353.db2.gz PXNSOPWVEYLCTI-LLVKDONJSA-N 1 0 223.276 0.232 10 0 BCAERO C[C@@H]1[C@H](N(C)C)CC[N@@H+]1CC(N)=S ZINC000306673376 350819809 /nfs/dbraw/zinc/81/98/09/350819809.db2.gz NKVSMSLYKVFDRL-HTQZYQBOSA-N 1 0 201.339 0.297 10 0 BCAERO [NH3+]CCN1CCC[C@@H](c2cc[nH]n2)CC1 ZINC000616600422 350780312 /nfs/dbraw/zinc/78/03/12/350780312.db2.gz FDDVNVVMJDSFAI-SNVBAGLBSA-N 1 0 208.309 0.938 10 0 BCAERO OCCN1CC[NH2+][C@H](c2ccccc2CO)C1 ZINC000616602602 350791598 /nfs/dbraw/zinc/79/15/98/350791598.db2.gz LRNFIEAYFHQQBX-ZDUSSCGKSA-N 1 0 236.315 0.118 10 0 BCAERO NC(=O)c1cccc([C@H]2COCCC[NH2+]2)c1 ZINC000616604131 350792579 /nfs/dbraw/zinc/79/25/79/350792579.db2.gz QXRWGXFDQRMQJC-LLVKDONJSA-N 1 0 220.272 0.837 10 0 BCAERO Nc1ncccc1[C@H]1CCC[N@@H+]1CCO ZINC000616608335 350804907 /nfs/dbraw/zinc/80/49/07/350804907.db2.gz QLCWAHHGLDMIES-SNVBAGLBSA-N 1 0 207.277 0.793 10 0 BCAERO NC(=O)c1ccccc1C1CCN(CC[NH3+])CC1 ZINC000616609323 350805627 /nfs/dbraw/zinc/80/56/27/350805627.db2.gz QHDWEOYJEDOASY-UHFFFAOYSA-N 1 0 247.342 0.924 10 0 BCAERO [NH3+]CCN1CCCC[C@@H]1c1cncnc1 ZINC000616614309 350831902 /nfs/dbraw/zinc/83/19/02/350831902.db2.gz DBDHZJYTALRKFB-LLVKDONJSA-N 1 0 206.293 0.962 10 0 BCAERO [NH3+][C@H]1C[C@H]1NC(=O)c1c[nH]c(Br)c1 ZINC000306710471 350859571 /nfs/dbraw/zinc/85/95/71/350859571.db2.gz TUJJIPRFDKBKTJ-NTSWFWBYSA-N 1 0 244.092 0.607 10 0 BCAERO C[C@@H](C(N)=S)[N@@H+]1CC[C@H](O)C1(C)C ZINC000306733637 350903341 /nfs/dbraw/zinc/90/33/41/350903341.db2.gz TWSSBJWNUYEULL-BQBZGAKWSA-N 1 0 202.323 0.506 10 0 BCAERO C[NH2+]Cc1ncc(-c2cnn(C)n2)s1 ZINC000306736839 350908041 /nfs/dbraw/zinc/90/80/41/350908041.db2.gz XYQVVPHMKATEPY-UHFFFAOYSA-N 1 0 209.278 0.658 10 0 BCAERO C[C@H]1CCCN1S(=O)(=O)[C@H]1CC[NH2+]C1 ZINC000252183708 350909165 /nfs/dbraw/zinc/90/91/65/350909165.db2.gz QMBHMWBABLLLLM-IUCAKERBSA-N 1 0 218.322 0.162 10 0 BCAERO C[C@@H]1CCCN1S(=O)(=O)[C@H]1CC[NH2+]C1 ZINC000252183707 350909506 /nfs/dbraw/zinc/90/95/06/350909506.db2.gz QMBHMWBABLLLLM-BDAKNGLRSA-N 1 0 218.322 0.162 10 0 BCAERO CN(CCO)CC[N@H+](C)C1CCOCC1 ZINC000623091266 350872534 /nfs/dbraw/zinc/87/25/34/350872534.db2.gz WEPYQHOXXBDLDH-UHFFFAOYSA-N 1 0 216.325 0.021 10 0 BCAERO COc1nc([C@H](O)[C@@H]2CCC[NH2+]2)cs1 ZINC000306712097 350872591 /nfs/dbraw/zinc/87/25/91/350872591.db2.gz TUDYHQAIFQNAPO-POYBYMJQSA-N 1 0 214.290 0.937 10 0 BCAERO CN(CC[N@H+](C)CCO)Cc1cccc(O)c1 ZINC000623091859 350876036 /nfs/dbraw/zinc/87/60/36/350876036.db2.gz XDZPSDMPIGPIDF-UHFFFAOYSA-N 1 0 238.331 0.748 10 0 BCAERO C[C@@H]1C[NH2+]CCN1C[C@@H](O)C(C)(C)C ZINC000306729518 350897952 /nfs/dbraw/zinc/89/79/52/350897952.db2.gz DAKOQVDAAGEXTE-NXEZZACHSA-N 1 0 200.326 0.687 10 0 BCAERO O=C1[C@@H]2C[NH2+]CCN2C(=O)N1Cc1ccccc1 ZINC000025430808 351007282 /nfs/dbraw/zinc/00/72/82/351007282.db2.gz JVDKCHTXGTYXAO-NSHDSACASA-N 1 0 245.282 0.423 10 0 BCAERO CNC(=O)CC[N@@H+]1C[C@H](COC)OC(C)(C)C1 ZINC000343331730 350959667 /nfs/dbraw/zinc/95/96/67/350959667.db2.gz BJYULTVCOCIVBN-SNVBAGLBSA-N 1 0 244.335 0.248 10 0 BCAERO C[S@](=O)N1C[C@@H]2C[C@@H]([NH3+])CC[C@@H]2C1 ZINC000306751299 350961309 /nfs/dbraw/zinc/96/13/09/350961309.db2.gz LFHGDMYJVANDCT-LWIGBJQBSA-N 1 0 202.323 0.339 10 0 BCAERO Nc1cc(CC(=O)[C@@H]2CC[NH2+]C2)ccn1 ZINC000226330221 351007730 /nfs/dbraw/zinc/00/77/30/351007730.db2.gz DYMOIEVGXKPBTL-SECBINFHSA-N 1 0 205.261 0.385 10 0 BCAERO O=C(C1C[NH2+]C1)N1CCC=C(Br)C1 ZINC000404134385 350967095 /nfs/dbraw/zinc/96/70/95/350967095.db2.gz BBQUEKXMOXALCW-UHFFFAOYSA-N 1 0 245.120 0.717 10 0 BCAERO [NH3+][C@@H]1C[C@H]1NC(=O)[C@@H]1CC1(Cl)Cl ZINC000306757813 350970746 /nfs/dbraw/zinc/97/07/46/350970746.db2.gz NWQUVDIGWADHOX-VPENINKCSA-N 1 0 209.076 0.396 10 0 BCAERO CNc1nnc(SC2C[NH2+]C2)s1 ZINC000306757858 350971890 /nfs/dbraw/zinc/97/18/90/350971890.db2.gz SYWFTQAZRMLWCB-UHFFFAOYSA-N 1 0 202.308 0.644 10 0 BCAERO C[C@@H]1CN([S@](=O)C2CCCC2)C[C@H]1[NH3+] ZINC000306772033 351009388 /nfs/dbraw/zinc/00/93/88/351009388.db2.gz CXQXILADWNGTCJ-PJCOJXEDSA-N 1 0 216.350 0.872 10 0 BCAERO Cc1cc(C)nc(NCCCN2CC[NH2+]CC2)n1 ZINC000035676112 358458593 /nfs/dbraw/zinc/45/85/93/358458593.db2.gz PLFBQXKIZHENEY-UHFFFAOYSA-N 1 0 249.362 0.801 10 0 BCAERO COC[C@H](C)C[NH2+][C@@H]1CCOC[C@@H]1O ZINC000628466486 358458602 /nfs/dbraw/zinc/45/86/02/358458602.db2.gz BPTUPIMWLCXVGS-BBBLOLIVSA-N 1 0 203.282 0.008 10 0 BCAERO COC(=O)CCCNC(=O)C[C@H]([NH3+])C(C)C ZINC000128991262 350955838 /nfs/dbraw/zinc/95/58/38/350955838.db2.gz LKZHRDJXWLHIQO-VIFPVBQESA-N 1 0 230.308 0.429 10 0 BCAERO CC[C@H](O)CN1CC[S@@](=O)C[C@@H]1C ZINC000306779661 351020091 /nfs/dbraw/zinc/02/00/91/351020091.db2.gz YGVOHEWLQRUMDT-MWODSPESSA-N 1 0 205.323 0.210 10 0 BCAERO CC(C)(C)OC(=O)N1CC(O)([C@H]2C=CC[NH2+]2)C1 ZINC000306782873 351028166 /nfs/dbraw/zinc/02/81/66/351028166.db2.gz RAPATYCBRICJKK-SECBINFHSA-N 1 0 240.303 0.496 10 0 BCAERO COC1(C)CN([C@@H]2C[NH2+]C[C@@H]2SC)C1 ZINC000306791809 351040797 /nfs/dbraw/zinc/04/07/97/351040797.db2.gz ZCQYASHUFMLPAO-BDAKNGLRSA-N 1 0 216.350 0.411 10 0 BCAERO CC(C)[S@@](=O)N1CC[C@](C)(C[NH3+])C1 ZINC000306793505 351042181 /nfs/dbraw/zinc/04/21/81/351042181.db2.gz FCDHRDVECCQVLD-NOZJJQNGSA-N 1 0 204.339 0.729 10 0 BCAERO Cc1oncc1-c1nnc(CCC[NH3+])o1 ZINC000050283561 180553558 /nfs/dbraw/zinc/55/35/58/180553558.db2.gz GGAJPNARGKIFKN-UHFFFAOYSA-N 1 0 208.221 0.924 10 0 BCAERO COC(=O)[C@@H](NC[C@@H]1CCC[N@@H+]1C)C(C)C ZINC000386462975 362994669 /nfs/dbraw/zinc/99/46/69/362994669.db2.gz SQPQQXSHRARAIY-QWRGUYRKSA-N 1 0 228.336 0.868 10 0 BCAERO OCC[N@@H+]1CCCC[C@H](c2cn[nH]c2)C1 ZINC000616629981 351101811 /nfs/dbraw/zinc/10/18/11/351101811.db2.gz XCYUCHVOSAFLEK-JTQLQIEISA-N 1 0 209.293 0.972 10 0 BCAERO OCC[N@@H+]1CCC[C@H](c2nnc[nH]2)CC1 ZINC000616630253 351102507 /nfs/dbraw/zinc/10/25/07/351102507.db2.gz ZTOVAEWDSNGDMI-VIFPVBQESA-N 1 0 210.281 0.367 10 0 BCAERO COC(=O)[C@@H]1CCCCN(CC[NH3+])C1 ZINC000616631196 351104654 /nfs/dbraw/zinc/10/46/54/351104654.db2.gz YOYDNQOIFHCTOC-SECBINFHSA-N 1 0 200.282 0.220 10 0 BCAERO C[NH+](C)[C@H]1CCCCN(S(C)(=O)=O)C1 ZINC000616626872 351106946 /nfs/dbraw/zinc/10/69/46/351106946.db2.gz CZTYEEZCYZQXNM-VIFPVBQESA-N 1 0 220.338 0.362 10 0 BCAERO OCC[N@@H+]1CCCC[C@H](c2conn2)C1 ZINC000616626999 351107031 /nfs/dbraw/zinc/10/70/31/351107031.db2.gz FQYHWMXUHFATLA-VIFPVBQESA-N 1 0 211.265 0.631 10 0 BCAERO [NH3+]CCN1CCC[C@@H](c2c[nH]cn2)CC1 ZINC000616627304 351107909 /nfs/dbraw/zinc/10/79/09/351107909.db2.gz HPRJJOITMPMYSS-SNVBAGLBSA-N 1 0 208.309 0.938 10 0 BCAERO CNc1ccccc1[C@H]1CN(CCO)CC[NH2+]1 ZINC000616631847 351108676 /nfs/dbraw/zinc/10/86/76/351108676.db2.gz GOLMLTFRFQTPKJ-CYBMUJFWSA-N 1 0 235.331 0.667 10 0 BCAERO CC(C)[N@@H+]1CCN[C@@H](c2ncccn2)C1 ZINC000616631796 351108714 /nfs/dbraw/zinc/10/87/14/351108714.db2.gz CWSBETPNYCMQPM-SNVBAGLBSA-N 1 0 206.293 0.831 10 0 BCAERO CC[N@@H+]1CCN[C@H](c2cccc(C(N)=O)c2)C1 ZINC000616632574 351112790 /nfs/dbraw/zinc/11/27/90/351112790.db2.gz LZLRZCSPNOAGRX-LBPRGKRZSA-N 1 0 233.315 0.752 10 0 BCAERO CN1CC[NH2+][C@H](c2ccc(CO)cc2)C1 ZINC000616632988 351113813 /nfs/dbraw/zinc/11/38/13/351113813.db2.gz UMOVUBSLKJMZRH-LBPRGKRZSA-N 1 0 206.289 0.755 10 0 BCAERO CC(C)[N@@H+]1CCN[C@H](c2ccncn2)C1 ZINC000616632889 351113829 /nfs/dbraw/zinc/11/38/29/351113829.db2.gz ROGMDTVAZBSPKL-NSHDSACASA-N 1 0 206.293 0.831 10 0 BCAERO [NH3+]CCN1CC[NH2+][C@H](c2ccccc2C(=O)[O-])C1 ZINC000616633670 351116309 /nfs/dbraw/zinc/11/63/09/351116309.db2.gz DOJBFHQFPBLRLI-LBPRGKRZSA-N 1 0 249.314 0.290 10 0 BCAERO CC(=O)N1CC[NH2+]C[C@@H]1c1cccc(N)c1 ZINC000616636023 351121270 /nfs/dbraw/zinc/12/12/70/351121270.db2.gz IYYOTODLKUGBNC-GFCCVEGCSA-N 1 0 219.288 0.762 10 0 BCAERO [NH3+]CCN1CC[NH2+]C[C@@H]1c1cccc(CO)c1 ZINC000616636000 351121339 /nfs/dbraw/zinc/12/13/39/351121339.db2.gz IKBUPSWNYDUVQD-CYBMUJFWSA-N 1 0 235.331 0.084 10 0 BCAERO COC(=O)[C@H](C)CN(C)C(=O)[C@@]1(C)CCC[NH2+]1 ZINC000079518197 351070263 /nfs/dbraw/zinc/07/02/63/351070263.db2.gz XJTHLTBIJIAUAJ-BXKDBHETSA-N 1 0 242.319 0.396 10 0 BCAERO CCOC(=O)[C@H]1CCCCCN1CC[NH3+] ZINC000616623775 351090174 /nfs/dbraw/zinc/09/01/74/351090174.db2.gz GVUKSLNMXYDDGB-SNVBAGLBSA-N 1 0 214.309 0.753 10 0 BCAERO [NH3+]CCN1CCC[C@H](c2cn[nH]n2)CC1 ZINC000616628619 351098682 /nfs/dbraw/zinc/09/86/82/351098682.db2.gz NZTDIZBXZKXHDD-VIFPVBQESA-N 1 0 209.297 0.333 10 0 BCAERO NC(=O)c1ccc([C@@H]2COCCN2CC[NH3+])cc1 ZINC000616641285 351147930 /nfs/dbraw/zinc/14/79/30/351147930.db2.gz XPDLRLREUHQLIE-LBPRGKRZSA-N 1 0 249.314 0.118 10 0 BCAERO [NH3+][C@@]1(CC2CCC2)CCS(=O)(=O)C1 ZINC000306836860 351148127 /nfs/dbraw/zinc/14/81/27/351148127.db2.gz UOVSQHJKICICNG-SECBINFHSA-N 1 0 203.307 0.693 10 0 BCAERO [NH3+][C@H]1CSC[C@@H]1Cc1cnsn1 ZINC000306843997 351158420 /nfs/dbraw/zinc/15/84/20/351158420.db2.gz DHCHYLWBEFUXCC-FSPLSTOPSA-N 1 0 201.320 0.771 10 0 BCAERO CC(C)(C)[N@@H+]1CCCOC[C@@H]1C(N)=O ZINC000616644753 351162030 /nfs/dbraw/zinc/16/20/30/351162030.db2.gz DHRMNALIUULAAL-MRVPVSSYSA-N 1 0 200.282 0.361 10 0 BCAERO [NH3+]CCN1CCCOC[C@H]1c1cccnc1 ZINC000616644737 351162324 /nfs/dbraw/zinc/16/23/24/351162324.db2.gz HBCXCYMFAKOKID-LBPRGKRZSA-N 1 0 221.304 0.804 10 0 BCAERO [NH3+]CCN1CCCOC[C@@H]1c1cocn1 ZINC000616644733 351162512 /nfs/dbraw/zinc/16/25/12/351162512.db2.gz DCHMCJWVDMOZRB-SNVBAGLBSA-N 1 0 211.265 0.397 10 0 BCAERO [NH3+]CCN1CCCOC[C@H]1c1cocn1 ZINC000616644431 351163422 /nfs/dbraw/zinc/16/34/22/351163422.db2.gz DCHMCJWVDMOZRB-JTQLQIEISA-N 1 0 211.265 0.397 10 0 BCAERO [NH3+]CCN1CCCOC[C@H]1c1cnco1 ZINC000616644815 351165024 /nfs/dbraw/zinc/16/50/24/351165024.db2.gz HQPHZOCZWXJWGN-VIFPVBQESA-N 1 0 211.265 0.397 10 0 BCAERO [NH3+]CCN1CCCOC[C@H]1c1ccncc1 ZINC000616644965 351165496 /nfs/dbraw/zinc/16/54/96/351165496.db2.gz KSOXCAPLIKZYAG-LBPRGKRZSA-N 1 0 221.304 0.804 10 0 BCAERO CC(C)N1CCCOC[C@@H]1c1cn[nH]n1 ZINC000616645951 351169745 /nfs/dbraw/zinc/16/97/45/351169745.db2.gz MJTZWBYDSUICOX-SNVBAGLBSA-N 1 0 210.281 0.977 10 0 BCAERO [NH3+]CCN1CCO[C@@H](c2ccccc2CO)C1 ZINC000616646856 351171929 /nfs/dbraw/zinc/17/19/29/351171929.db2.gz NLPOJPYQBTVMLK-CYBMUJFWSA-N 1 0 236.315 0.511 10 0 BCAERO NC(=O)c1ccc([C@@H]2CN(CC[NH3+])CCO2)cc1 ZINC000616648034 351175634 /nfs/dbraw/zinc/17/56/34/351175634.db2.gz KQSUAGPKQXWGIJ-LBPRGKRZSA-N 1 0 249.314 0.118 10 0 BCAERO C[C@@H]1C[S@](=O)CCN1C[C@H]1CC[NH2+]C1 ZINC000306858170 351184382 /nfs/dbraw/zinc/18/43/82/351184382.db2.gz YZVMQRNSJFWWBT-ISTVAULSSA-N 1 0 216.350 0.049 10 0 BCAERO Nc1ccccc1[C@H]1CN(CC[NH3+])CCCO1 ZINC000616653391 351187917 /nfs/dbraw/zinc/18/79/17/351187917.db2.gz NRXHNLAOXSVLTP-CYBMUJFWSA-N 1 0 235.331 0.991 10 0 BCAERO OCC[N@@H+]1CCCC[C@@H](c2cc[nH]n2)C1 ZINC000616654049 351194738 /nfs/dbraw/zinc/19/47/38/351194738.db2.gz KMIJFIQJTMVESP-SNVBAGLBSA-N 1 0 209.293 0.972 10 0 BCAERO CC(C)C[S@](=O)[C@H]1C[NH2+]CC[C@]1(C)O ZINC000306821172 351127131 /nfs/dbraw/zinc/12/71/31/351127131.db2.gz JUGBVSDDQDFQFW-BHDSKKPTSA-N 1 0 219.350 0.504 10 0 BCAERO CC(=O)N[C@H]1C[N@@H+](C(C)(C)C)CCCO1 ZINC000616652217 351191116 /nfs/dbraw/zinc/19/11/16/351191116.db2.gz FCLMPVNYXQVZEB-SNVBAGLBSA-N 1 0 214.309 0.969 10 0 BCAERO [NH3+]CCN1CC[NH2+]C[C@@H]1c1cccc(C(=O)[O-])c1 ZINC000616637418 351133222 /nfs/dbraw/zinc/13/32/22/351133222.db2.gz XEWBLCNXQSXBBJ-GFCCVEGCSA-N 1 0 249.314 0.290 10 0 BCAERO CCN1CC[NH2+]C[C@H]1CNC(=O)OC(C)(C)C ZINC000616637186 351133623 /nfs/dbraw/zinc/13/36/23/351133623.db2.gz IPIUJDOORZBMNT-JTQLQIEISA-N 1 0 243.351 0.805 10 0 BCAERO CN1CC[NH2+]C[C@@H]1c1cccc(CO)c1 ZINC000616637776 351134169 /nfs/dbraw/zinc/13/41/69/351134169.db2.gz RBIWPZUQOQBLRD-GFCCVEGCSA-N 1 0 206.289 0.755 10 0 BCAERO CC(=O)N1CC[NH2+]C[C@@H]1c1ccc(CO)cc1 ZINC000616637698 351134793 /nfs/dbraw/zinc/13/47/93/351134793.db2.gz BJFYMQUDMMRRHV-CYBMUJFWSA-N 1 0 234.299 0.672 10 0 BCAERO CNc1ccc([C@H]2C[NH2+]CCN2CCO)cc1 ZINC000616637600 351135238 /nfs/dbraw/zinc/13/52/38/351135238.db2.gz ZRNXHJYOAODERB-CYBMUJFWSA-N 1 0 235.331 0.667 10 0 BCAERO O=C(CC1C[NH2+]C1)Nc1cc(Cl)[nH]n1 ZINC000306826422 351135453 /nfs/dbraw/zinc/13/54/53/351135453.db2.gz AJRKXYGUKVJEAF-UHFFFAOYSA-N 1 0 214.656 0.611 10 0 BCAERO CCN1CC[NH2+]C[C@H]1c1ccc(C(N)=O)cc1 ZINC000616638498 351139403 /nfs/dbraw/zinc/13/94/03/351139403.db2.gz VTWACJRWTSONOK-LBPRGKRZSA-N 1 0 233.315 0.752 10 0 BCAERO NC(=O)N1CC[NH2+]C[C@H]1c1cccc(CO)c1 ZINC000616639300 351143025 /nfs/dbraw/zinc/14/30/25/351143025.db2.gz SKEGZOPBEKNFQX-NSHDSACASA-N 1 0 235.287 0.204 10 0 BCAERO NC(=O)c1cccc([C@@H]2COCCN2CC[NH3+])c1 ZINC000616640096 351144828 /nfs/dbraw/zinc/14/48/28/351144828.db2.gz DCQMKPZNKAUZLN-LBPRGKRZSA-N 1 0 249.314 0.118 10 0 BCAERO COC[C@@H](NC(=O)[C@]1(C)CCC[NH2+]1)C(C)C ZINC000083399628 351232766 /nfs/dbraw/zinc/23/27/66/351232766.db2.gz ZYLQEGXZEVDJFY-PWSUYJOCSA-N 1 0 228.336 0.916 10 0 BCAERO [NH3+]CCN1CC[C@@H](c2nn[nH]n2)c2ccccc21 ZINC000616673363 351237399 /nfs/dbraw/zinc/23/73/99/351237399.db2.gz ANFBEXZIVLXIFA-SNVBAGLBSA-N 1 0 244.302 0.500 10 0 BCAERO [NH3+]CCN1CC[C@H](c2nn[nH]n2)c2ccccc21 ZINC000616674172 351238137 /nfs/dbraw/zinc/23/81/37/351238137.db2.gz ANFBEXZIVLXIFA-JTQLQIEISA-N 1 0 244.302 0.500 10 0 BCAERO CS(C)(=O)=NC(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000306864999 351243570 /nfs/dbraw/zinc/24/35/70/351243570.db2.gz LNTLKHUWUZGLIA-SFYZADRCSA-N 1 0 218.322 0.758 10 0 BCAERO [NH3+]CCN1CCc2ccccc2[C@H]1c1nc[nH]n1 ZINC000616681298 351248701 /nfs/dbraw/zinc/24/87/01/351248701.db2.gz XAYPFLUJXWTDPC-LBPRGKRZSA-N 1 0 243.314 0.711 10 0 BCAERO [NH3+]CCN1CCc2ccccc2[C@H]1c1cnno1 ZINC000616678935 351249482 /nfs/dbraw/zinc/24/94/82/351249482.db2.gz ABBDJIGRXKNEMJ-ZDUSSCGKSA-N 1 0 244.298 0.976 10 0 BCAERO [NH3+]CCN1CCc2ccccc2[C@H]1c1cn[nH]n1 ZINC000616681497 351250331 /nfs/dbraw/zinc/25/03/31/351250331.db2.gz YPIKXMYYTDJPJZ-ZDUSSCGKSA-N 1 0 243.314 0.711 10 0 BCAERO C[NH2+][C@H]1Cc2ccccc2N(S(C)(=O)=O)C1 ZINC000616690348 351259175 /nfs/dbraw/zinc/25/91/75/351259175.db2.gz MUUHZECDAIGBGV-JTQLQIEISA-N 1 0 240.328 0.597 10 0 BCAERO Nc1cccc([C@H]2COCC[N@H+](CCO)C2)c1 ZINC000616658205 351196291 /nfs/dbraw/zinc/19/62/91/351196291.db2.gz CADICOIZTUHCOT-GFCCVEGCSA-N 1 0 236.315 0.677 10 0 BCAERO CC(C)(C)OC(=O)N1CCOCC[C@@H]1C[NH3+] ZINC000616657569 351199022 /nfs/dbraw/zinc/19/90/22/351199022.db2.gz DYFYGHJFUGMDRC-SECBINFHSA-N 1 0 230.308 0.971 10 0 BCAERO COC(=O)N1CCOCC[C@H]1CC[NH3+] ZINC000616657922 351199834 /nfs/dbraw/zinc/19/98/34/351199834.db2.gz MRTWADKEIJFMSV-MRVPVSSYSA-N 1 0 202.254 0.193 10 0 BCAERO OCC[N@@H+]1CCOC[C@H](c2cnco2)C1 ZINC000616658064 351200614 /nfs/dbraw/zinc/20/06/14/351200614.db2.gz BEEFGBMOGDOWEM-SECBINFHSA-N 1 0 212.249 0.083 10 0 BCAERO COC(=O)[C@H]1CCOCCN1C(C)C ZINC000616655910 351201783 /nfs/dbraw/zinc/20/17/83/351201783.db2.gz LYUBVMYEQPZRDR-SECBINFHSA-N 1 0 201.266 0.659 10 0 BCAERO OCC[N@@H+]1CCOCC[C@@H]1c1ccccn1 ZINC000616655978 351201865 /nfs/dbraw/zinc/20/18/65/351201865.db2.gz OQUDKZIBQWMZLG-GFCCVEGCSA-N 1 0 222.288 0.837 10 0 BCAERO CNC(=S)N1C[C@@H]2CC[N@H+](C)C[C@H]2C1 ZINC000306859647 351204156 /nfs/dbraw/zinc/20/41/56/351204156.db2.gz BVXQABIGBQQELU-IUCAKERBSA-N 1 0 213.350 0.374 10 0 BCAERO CC[N@@H+]1CCOC[C@@H](c2ccncn2)C1 ZINC000616660418 351205356 /nfs/dbraw/zinc/20/53/56/351205356.db2.gz HXTQEQAIYSOTMZ-JTQLQIEISA-N 1 0 207.277 0.912 10 0 BCAERO NC(=O)[C@@H]1COCC[N@H+](Cc2ccccc2)C1 ZINC000616659891 351209172 /nfs/dbraw/zinc/20/91/72/351209172.db2.gz JRERCWQZALUFPE-LBPRGKRZSA-N 1 0 234.299 0.620 10 0 BCAERO OCC[N@@H+]1CCOC[C@H](c2ccno2)C1 ZINC000616661995 351216968 /nfs/dbraw/zinc/21/69/68/351216968.db2.gz XZHDBSLNFOFURW-SECBINFHSA-N 1 0 212.249 0.083 10 0 BCAERO CCOC(=O)N1CCO[C@@H](CC[NH3+])CC1 ZINC000616662288 351217375 /nfs/dbraw/zinc/21/73/75/351217375.db2.gz GFOXBHGOHGVDSV-VIFPVBQESA-N 1 0 216.281 0.583 10 0 BCAERO Nc1cccc([C@@H]2CCN(CC[NH3+])CCO2)n1 ZINC000616665269 351222458 /nfs/dbraw/zinc/22/24/58/351222458.db2.gz FDQOTWBZTKUPDD-NSHDSACASA-N 1 0 236.319 0.386 10 0 BCAERO Nc1cccc([C@@H]2CC[N@H+](CCO)CCO2)n1 ZINC000616665663 351223114 /nfs/dbraw/zinc/22/31/14/351223114.db2.gz RATDIGGXHDMPED-NSHDSACASA-N 1 0 237.303 0.420 10 0 BCAERO [NH3+]CCN1CCO[C@H](c2ncco2)CC1 ZINC000616665575 351223422 /nfs/dbraw/zinc/22/34/22/351223422.db2.gz MWPGOVGTNOQJNI-VIFPVBQESA-N 1 0 211.265 0.397 10 0 BCAERO CS(=O)(=O)N1c2ccccc2CC[C@H]1C[NH3+] ZINC000616668047 351225611 /nfs/dbraw/zinc/22/56/11/351225611.db2.gz GFJPGSOJRRZRQA-JTQLQIEISA-N 1 0 240.328 0.726 10 0 BCAERO [NH3+]CCN1CCO[C@@H](c2cocn2)CC1 ZINC000616666553 351226833 /nfs/dbraw/zinc/22/68/33/351226833.db2.gz YEIQPEYQUWDIJY-SNVBAGLBSA-N 1 0 211.265 0.397 10 0 BCAERO [NH3+]CCN1CCO[C@@H](OC(F)(F)F)CC1 ZINC000616666449 351226904 /nfs/dbraw/zinc/22/69/04/351226904.db2.gz SJJPTJVVIADQNQ-ZETCQYMHSA-N 1 0 228.214 0.530 10 0 BCAERO COC(=O)[C@@H]1CCc2ccccc2N1CC[NH3+] ZINC000616668666 351227528 /nfs/dbraw/zinc/22/75/28/351227528.db2.gz CFEARSARKKBKOW-LBPRGKRZSA-N 1 0 234.299 0.940 10 0 BCAERO Cc1nc(C)c(C[NH2+]C[C@@H]2CC(=O)N(C)C2)o1 ZINC000628341712 351285303 /nfs/dbraw/zinc/28/53/03/351285303.db2.gz QOLYEJLVDPVMNQ-JTQLQIEISA-N 1 0 237.303 0.859 10 0 BCAERO C[NH2+]C[C@H]1C[C@]12CCCS(=O)(=O)C2 ZINC000068941102 351296689 /nfs/dbraw/zinc/29/66/89/351296689.db2.gz MZMWBCUDEVFCLS-BDAKNGLRSA-N 1 0 203.307 0.421 10 0 BCAERO C[C@@H]1C[C@@H]1C(=O)N1CCSC[C@H]1C[NH3+] ZINC000306891176 351304309 /nfs/dbraw/zinc/30/43/09/351304309.db2.gz ZZRFMTBZLKJRJZ-HLTSFMKQSA-N 1 0 214.334 0.545 10 0 BCAERO O=c1ncc(Cl)cn1C[C@H]1CCC[NH2+]1 ZINC000168185526 351335978 /nfs/dbraw/zinc/33/59/78/351335978.db2.gz CZEJILWSYUYNDA-MRVPVSSYSA-N 1 0 213.668 0.649 10 0 BCAERO [NH3+][C@@H]1CCC[C@@H]1NC(=O)c1cscn1 ZINC000063171873 351268954 /nfs/dbraw/zinc/26/89/54/351268954.db2.gz CIDGZFUAPBNYTF-RQJHMYQMSA-N 1 0 211.290 0.753 10 0 BCAERO Cc1nn(C)c(NC(=O)C[NH3+])c1Br ZINC000306878978 351272631 /nfs/dbraw/zinc/27/26/31/351272631.db2.gz DNTFRJQWFRHIBC-UHFFFAOYSA-N 1 0 247.096 0.388 10 0 BCAERO [NH2+]=C(NCc1ccccc1)N[C@@H]1CCCNC1=O ZINC000306951635 351380133 /nfs/dbraw/zinc/38/01/33/351380133.db2.gz LPIFMVFGQXVRJF-LLVKDONJSA-N 1 0 246.314 0.579 10 0 BCAERO CO[C@@H]1C[C@H](CO)[N@@H+]([C@H]2CCCC2=O)C1 ZINC000306965149 351385029 /nfs/dbraw/zinc/38/50/29/351385029.db2.gz JZVQRBAODCCORE-BBBLOLIVSA-N 1 0 213.277 0.190 10 0 BCAERO CC(C)(O)C[NH2+]CC(=O)N1CCCCC1 ZINC000083465233 351385252 /nfs/dbraw/zinc/38/52/52/351385252.db2.gz ARKOZGXLYJDQRF-UHFFFAOYSA-N 1 0 214.309 0.359 10 0 BCAERO C[C@@H]1C[NH2+]CC[C@@H]1CN=S(C)(C)=O ZINC000306964498 351385502 /nfs/dbraw/zinc/38/55/02/351385502.db2.gz JDDMRVBQYGDBGF-RKDXNWHRSA-N 1 0 204.339 0.960 10 0 BCAERO C[C@@H]1CC[C@H]1NC(=O)[C@H]1CSCC[NH2+]1 ZINC000306975105 351395030 /nfs/dbraw/zinc/39/50/30/351395030.db2.gz MYUVJTUVTGICIT-IWSPIJDZSA-N 1 0 214.334 0.606 10 0 BCAERO [NH3+]CC1(c2nc[nH]c(=O)c2Br)CC1 ZINC000306925231 351343751 /nfs/dbraw/zinc/34/37/51/351343751.db2.gz LRUKUFXSLWQZCI-UHFFFAOYSA-N 1 0 244.092 0.935 10 0 BCAERO CC[C@@H](C)[NH2+][C@@H](C)C(=O)N1CCOCC1 ZINC000034936719 351350433 /nfs/dbraw/zinc/35/04/33/351350433.db2.gz AEXNSMXCVJNPRT-ZJUUUORDSA-N 1 0 214.309 0.622 10 0 BCAERO COCC[NH2+][C@H](C)C(=O)N1CCCCC1 ZINC000034936706 351350490 /nfs/dbraw/zinc/35/04/90/351350490.db2.gz MEPTXCOJFOAQRS-SNVBAGLBSA-N 1 0 214.309 0.623 10 0 BCAERO CCCCOC[C@H](O)C[NH2+][C@@H](CC)[C@H](C)O ZINC000386680284 363026804 /nfs/dbraw/zinc/02/68/04/363026804.db2.gz IBEVXJZRCNCZTA-TUAOUCFPSA-N 1 0 233.352 0.913 10 0 BCAERO C[C@@H]1C[C@H](NC(=O)[C@H]2CC[NH2+]2)CS1 ZINC000307021502 351429949 /nfs/dbraw/zinc/42/99/49/351429949.db2.gz XDIYRLKVYBROAL-GJMOJQLCSA-N 1 0 200.307 0.359 10 0 BCAERO C[C@@H]1C[C@@H](NC(=O)[C@H]2CC[NH2+]2)CS1 ZINC000307021500 351430066 /nfs/dbraw/zinc/43/00/66/351430066.db2.gz XDIYRLKVYBROAL-BWZBUEFSSA-N 1 0 200.307 0.359 10 0 BCAERO Cc1nnc([C@H](C)N2C[C@H]([NH3+])C2=O)s1 ZINC000307024621 351433756 /nfs/dbraw/zinc/43/37/56/351433756.db2.gz WKWMDEJZSVNPDZ-NJGYIYPDSA-N 1 0 212.278 0.077 10 0 BCAERO Cc1nnc(CN2CCC([NH3+])CC2)s1 ZINC000307025730 351434340 /nfs/dbraw/zinc/43/43/40/351434340.db2.gz XIWGQJKCSWWVOE-UHFFFAOYSA-N 1 0 212.322 0.770 10 0 BCAERO [NH3+]C1CN(C(=O)c2coc(Br)c2)C1 ZINC000307076758 351465933 /nfs/dbraw/zinc/46/59/33/351465933.db2.gz LNARLLPAMGKFIQ-UHFFFAOYSA-N 1 0 245.076 0.825 10 0 BCAERO [NH2+]=C(CN1CCC=C(Br)C1)NO ZINC000404426906 351440044 /nfs/dbraw/zinc/44/00/44/351440044.db2.gz ZSQUWRXABYXSSQ-UHFFFAOYSA-N 1 0 234.097 0.927 10 0 BCAERO CC(C)[S@](=O)N1CC[C@@H]([NH3+])C[C@H]1C ZINC000307045835 351446130 /nfs/dbraw/zinc/44/61/30/351446130.db2.gz WPOBCSKTOZHZAI-KKFJDGPESA-N 1 0 204.339 0.870 10 0 BCAERO C[C@@H]1[C@@]2(CCS1(=O)=O)CCC[NH2+]C2 ZINC000307058519 351458215 /nfs/dbraw/zinc/45/82/15/351458215.db2.gz GIHCBFOURVAGGX-RKDXNWHRSA-N 1 0 203.307 0.563 10 0 BCAERO C[C@H]1[C@@]2(CCS1(=O)=O)CCC[NH2+]C2 ZINC000307058517 351458334 /nfs/dbraw/zinc/45/83/34/351458334.db2.gz GIHCBFOURVAGGX-DTWKUNHWSA-N 1 0 203.307 0.563 10 0 BCAERO Cn1ccc(C(=O)N2CCCC[C@H]2C[NH3+])n1 ZINC000231912707 351460763 /nfs/dbraw/zinc/46/07/63/351460763.db2.gz QLFCHCZRGNFVRY-VIFPVBQESA-N 1 0 222.292 0.374 10 0 BCAERO C[C@H]([NH2+]CC1CC(O)C1)c1ccnn1C ZINC000235506685 351462447 /nfs/dbraw/zinc/46/24/47/351462447.db2.gz VCVSYGTTZGSVFN-IDKOKCKLSA-N 1 0 209.293 0.842 10 0 BCAERO Cc1nnc(CN[C@@H]2CCC[NH2+]C2)s1 ZINC000307004682 351418090 /nfs/dbraw/zinc/41/80/90/351418090.db2.gz DUQJCVPIBMEFTP-MRVPVSSYSA-N 1 0 212.322 0.688 10 0 BCAERO C[C@H]([C@H](C)[NH3+])N1C[C@@H](C)CS1(=O)=O ZINC000307135721 351494441 /nfs/dbraw/zinc/49/44/41/351494441.db2.gz ROMCMOLWZVRSLW-GJMOJQLCSA-N 1 0 206.311 0.004 10 0 BCAERO CCN(CCNCC[NH3+])C(=O)OC(C)(C)C ZINC000307139098 351495233 /nfs/dbraw/zinc/49/52/33/351495233.db2.gz HOEWJIVRSJJAQA-UHFFFAOYSA-N 1 0 231.340 0.792 10 0 BCAERO CC(C)([NH3+])C(=O)N[C@H]1CSC1(C)C ZINC000307145538 351499186 /nfs/dbraw/zinc/49/91/86/351499186.db2.gz GNQLSYFQQVRZHB-LURJTMIESA-N 1 0 202.323 0.734 10 0 BCAERO C[C@@H]1SCCC[C@H]1[NH2+][C@@H]1CNC(=O)C1 ZINC000228935635 351507487 /nfs/dbraw/zinc/50/74/87/351507487.db2.gz FNXSUFSTXXOIFN-XHNCKOQMSA-N 1 0 214.334 0.749 10 0 BCAERO C[C@]1(C(=O)N[C@@H]2C[C@@H]2[NH3+])CC1(Cl)Cl ZINC000307081311 351469352 /nfs/dbraw/zinc/46/93/52/351469352.db2.gz JADMXIOIJBZGCJ-HBPOCXIASA-N 1 0 223.103 0.786 10 0 BCAERO [NH3+]C[C@@]1(Nc2ncns2)CCOC1 ZINC000307091733 351472137 /nfs/dbraw/zinc/47/21/37/351472137.db2.gz YATTXSUOCQCXPB-ZETCQYMHSA-N 1 0 200.267 0.068 10 0 BCAERO C[C@@H]1CN(C(=[NH2+])NCc2ccccc2)CC(=O)N1 ZINC000307125826 351491713 /nfs/dbraw/zinc/49/17/13/351491713.db2.gz HZUDSBZAXLNULQ-SNVBAGLBSA-N 1 0 246.314 0.531 10 0 BCAERO Clc1nccnc1CNC1CC[NH2+]CC1 ZINC000095070368 180603772 /nfs/dbraw/zinc/60/37/72/180603772.db2.gz NZXDGFMKAPHJPR-UHFFFAOYSA-N 1 0 226.711 0.972 10 0 BCAERO C[C@H]1CN(S(=O)(=O)CC2CCC2)C[C@@H]1C[NH3+] ZINC000631965545 363065967 /nfs/dbraw/zinc/06/59/67/363065967.db2.gz CVXIEXPJFBTDSK-ONGXEEELSA-N 1 0 246.376 0.643 10 0 BCAERO [NH3+][C@H](CC1OCCO1)c1cnsc1 ZINC000404867626 363070652 /nfs/dbraw/zinc/07/06/52/363070652.db2.gz WTBIBTLEHZXXRB-SSDOTTSWSA-N 1 0 200.263 0.906 10 0 BCAERO CNC(=O)C[NH+]1[C@@H](C)CSC[C@@H]1C ZINC000307211544 351611394 /nfs/dbraw/zinc/61/13/94/351611394.db2.gz SZBWQHBNUKGYKX-YUMQZZPRSA-N 1 0 202.323 0.558 10 0 BCAERO COc1nc(-n2cccn2)c(C[NH3+])s1 ZINC000307174645 351563176 /nfs/dbraw/zinc/56/31/76/351563176.db2.gz QTGYNJQPODNAHE-UHFFFAOYSA-N 1 0 210.262 0.796 10 0 BCAERO Cc1[nH+]c(NN)c(Cl)cc1C(N)=O ZINC000307187548 351588109 /nfs/dbraw/zinc/58/81/09/351588109.db2.gz PPJUFHLEVPYYQC-UHFFFAOYSA-N 1 0 200.629 0.428 10 0 BCAERO C[C@@H]1CO[C@@H](CO)CN1C[C@@H]1CCC[NH2+]C1 ZINC000088098996 351597529 /nfs/dbraw/zinc/59/75/29/351597529.db2.gz KXIDQCNCIOZBLI-IJLUTSLNSA-N 1 0 228.336 0.068 10 0 BCAERO C[C@H](C[S@@](C)=O)Nc1cc[nH+]cc1N ZINC000228965022 351604940 /nfs/dbraw/zinc/60/49/40/351604940.db2.gz MCBOMJRKRVCNOM-NXSYQRQQSA-N 1 0 213.306 0.843 10 0 BCAERO CC(C)([NH3+])C(=O)N1CC[C@H](O)C1(C)C ZINC000307206851 351610123 /nfs/dbraw/zinc/61/01/23/351610123.db2.gz LRJLDQXSMHGJMZ-ZETCQYMHSA-N 1 0 200.282 0.096 10 0 BCAERO C[C@H]1CN(S(=O)(=O)CC(C)(C)C)C[C@H]1C[NH3+] ZINC000631966585 363077537 /nfs/dbraw/zinc/07/75/37/363077537.db2.gz UKHQZCMWGMZQOH-VHSXEESVSA-N 1 0 248.392 0.889 10 0 BCAERO CC[C@](C)(O)C[N@@H+]1CCC[C@H](O)[C@H]1C ZINC000307232763 351688147 /nfs/dbraw/zinc/68/81/47/351688147.db2.gz DSGNOEGZJHHSGU-VWYCJHECSA-N 1 0 201.310 0.993 10 0 BCAERO CN1CCN(C)[C@@H](C(=O)CC2CCC2)C1 ZINC000226060288 351699862 /nfs/dbraw/zinc/69/98/62/351699862.db2.gz ZZONHLCVJYOOIW-LLVKDONJSA-N 1 0 210.321 0.992 10 0 BCAERO CC[C@H](NC(C)=O)C(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000637850175 351707689 /nfs/dbraw/zinc/70/76/89/351707689.db2.gz JCKQEHARLBZVPH-GARJFASQSA-N 1 0 241.335 0.145 10 0 BCAERO C[C@H]([NH3+])CCNC(=O)[C@@H]1C[C@H](C)O[C@@H]1C ZINC000637824841 351665371 /nfs/dbraw/zinc/66/53/71/351665371.db2.gz QNVHVNQOGCLJOJ-AXTSPUMRSA-N 1 0 214.309 0.653 10 0 BCAERO Cc1conc1C(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000637848714 351705791 /nfs/dbraw/zinc/70/57/91/351705791.db2.gz DJSMWMNPJYXAGV-IUCAKERBSA-N 1 0 223.276 0.840 10 0 BCAERO Cc1conc1C(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000637848713 351706142 /nfs/dbraw/zinc/70/61/42/351706142.db2.gz DJSMWMNPJYXAGV-DTWKUNHWSA-N 1 0 223.276 0.840 10 0 BCAERO C[C@@H]1C[C@H](C(=O)N2CCC[C@H]2C[NH3+])[C@@H](C)O1 ZINC000637859925 351721258 /nfs/dbraw/zinc/72/12/58/351721258.db2.gz RTVPQXMYIWNSJG-ZNSHCXBVSA-N 1 0 226.320 0.750 10 0 BCAERO O=S1(=NC[C@H]2CC[NH2+]C2)CCCC1 ZINC000307239236 351729841 /nfs/dbraw/zinc/72/98/41/351729841.db2.gz GGZOAODPLRQBPE-VIFPVBQESA-N 1 0 202.323 0.858 10 0 BCAERO CC(C)[C@H](C)NC(=O)[C@]1(C[NH3+])CCCOC1 ZINC000637877360 351742950 /nfs/dbraw/zinc/74/29/50/351742950.db2.gz QLSLKCJEGIJXHK-JQWIXIFHSA-N 1 0 228.336 0.903 10 0 BCAERO Cn1cnnc1[C@@H]([NH3+])[C@@H]1CSCCS1 ZINC000307244360 351749568 /nfs/dbraw/zinc/74/95/68/351749568.db2.gz LBZTUXYGOXMEHB-BQBZGAKWSA-N 1 0 230.362 0.664 10 0 BCAERO Cn1cnnc1C(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000307253576 351781081 /nfs/dbraw/zinc/78/10/81/351781081.db2.gz VPXVLWGABZXTLL-YUMQZZPRSA-N 1 0 208.265 0.373 10 0 BCAERO CN(C[C@H]1CCCO1)C(=O)C1=CC[C@@H]([NH3+])C1 ZINC000637908601 351782245 /nfs/dbraw/zinc/78/22/45/351782245.db2.gz INFXQPVVRZCZCT-GHMZBOCLSA-N 1 0 224.304 0.671 10 0 BCAERO COC[C@@]1(C(=O)NCC[C@@H](C)O)CCCC[NH2+]1 ZINC000637909090 351783084 /nfs/dbraw/zinc/78/30/84/351783084.db2.gz AFQJETBLBIDAEZ-ZYHUDNBSSA-N 1 0 244.335 0.032 10 0 BCAERO CO[C@@H]1C[NH2+][C@@](C)(C(=O)N[C@@H](C)C2CC2)C1 ZINC000637893888 351765559 /nfs/dbraw/zinc/76/55/59/351765559.db2.gz WTECVXZSCAXPNV-PTOFAABTSA-N 1 0 226.320 0.668 10 0 BCAERO C[C@H](NC(=O)C1=CC[C@@H]([NH3+])C1)[C@@H]1CCCO1 ZINC000637928700 351805528 /nfs/dbraw/zinc/80/55/28/351805528.db2.gz FDBCWYQQIJVCIF-GDPRMGEGSA-N 1 0 224.304 0.718 10 0 BCAERO Cn1ncc(C(=O)[C@H]2CCC[C@H]2C[NH3+])n1 ZINC000307272935 351826742 /nfs/dbraw/zinc/82/67/42/351826742.db2.gz GWLPOKXBASZPOU-YUMQZZPRSA-N 1 0 208.265 0.373 10 0 BCAERO CC[C@]1(C(=O)c2cnn(C)n2)CCC[NH2+]1 ZINC000307276817 351832522 /nfs/dbraw/zinc/83/25/22/351832522.db2.gz QVDNGCPOELCDFS-SNVBAGLBSA-N 1 0 208.265 0.530 10 0 BCAERO CC(C)[S@](=O)N1CC[NH2+]C[C@@H](C)C1 ZINC000307262062 351808426 /nfs/dbraw/zinc/80/84/26/351808426.db2.gz WGUGDNNMFOGZTC-RNCFNFMXSA-N 1 0 204.339 0.600 10 0 BCAERO C[C@@H]1C[C@@H]1NC(=O)c1cnc(C[NH3+])nc1 ZINC000637934282 351811213 /nfs/dbraw/zinc/81/12/13/351811213.db2.gz MWWWQHUVEMTMQE-SVRRBLITSA-N 1 0 206.249 0.074 10 0 BCAERO CC1(NC(=O)[C@@H](F)C2C[NH2+]C2)CCC1 ZINC000307268728 351815792 /nfs/dbraw/zinc/81/57/92/351815792.db2.gz LBXBMFXUOBAVIZ-QMMMGPOBSA-N 1 0 200.257 0.603 10 0 BCAERO CC[NH2+][C@H](C)C(=O)N1CCC([C@@H](C)O)CC1 ZINC000637975331 351851617 /nfs/dbraw/zinc/85/16/17/351851617.db2.gz JPYLVEPSFJWCCB-NXEZZACHSA-N 1 0 228.336 0.604 10 0 BCAERO Cn1cc(C[C@@H]([NH3+])Cc2ccccn2)cn1 ZINC000050542486 180653775 /nfs/dbraw/zinc/65/37/75/180653775.db2.gz FMUYZAXYMUJEFP-LLVKDONJSA-N 1 0 216.288 0.928 10 0 BCAERO CO[C@@H]1C[NH2+][C@@](C)(C(=O)N[C@H]2CCCOC2)C1 ZINC000637981990 351856704 /nfs/dbraw/zinc/85/67/04/351856704.db2.gz NWJHEJSYERBQLF-JBLDHEPKSA-N 1 0 242.319 0.049 10 0 BCAERO CC[NH2+][C@H](C)C(=O)NCC1(C)COC1 ZINC000637993750 351867480 /nfs/dbraw/zinc/86/74/80/351867480.db2.gz SCYGWCQBLOEBED-MRVPVSSYSA-N 1 0 200.282 0.137 10 0 BCAERO Cn1cc(C[C@H]([NH3+])Cc2ccccc2)nn1 ZINC000054861260 180654885 /nfs/dbraw/zinc/65/48/85/180654885.db2.gz JGJDIYVSOHEMIB-LLVKDONJSA-N 1 0 216.288 0.928 10 0 BCAERO O=S1CCC([NH2+]C2CSC2)CC1 ZINC000307292791 351904945 /nfs/dbraw/zinc/90/49/45/351904945.db2.gz DLMNVYQGRKGTKM-UHFFFAOYSA-N 1 0 205.348 0.603 10 0 BCAERO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)c1cccnn1 ZINC000638204394 352066507 /nfs/dbraw/zinc/06/65/07/352066507.db2.gz DAUFULMTYXYPDL-BDAKNGLRSA-N 1 0 220.276 0.347 10 0 BCAERO [NH3+][C@@H](c1cnsc1)[C@@H]1COCCO1 ZINC000404746680 352024607 /nfs/dbraw/zinc/02/46/07/352024607.db2.gz AFTRPQJEXLUEPZ-YUMQZZPRSA-N 1 0 200.263 0.558 10 0 BCAERO COCCC(=O)N1CCC2(CC1)OCC[C@@H]2[NH3+] ZINC000725270179 538101922 /nfs/dbraw/zinc/10/19/22/538101922.db2.gz YFSNAJIANQQFLG-JTQLQIEISA-N 1 0 242.319 0.132 10 0 BCAERO C[C@@H]1OCC[C@@H]1NC(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000638168814 352032130 /nfs/dbraw/zinc/03/21/30/352032130.db2.gz HUYOBXWJKAYKML-JBLDHEPKSA-N 1 0 242.319 0.036 10 0 BCAERO CC(C)C(=O)N1CCC2(CC1)OCC[C@H]2[NH3+] ZINC000725270134 538101979 /nfs/dbraw/zinc/10/19/79/538101979.db2.gz XVXBFIKKKNZGRE-SNVBAGLBSA-N 1 0 226.320 0.751 10 0 BCAERO COC1CC(C(=O)N2CC[C@@H]([NH3+])[C@H]2C)C1 ZINC000638235359 352086558 /nfs/dbraw/zinc/08/65/58/352086558.db2.gz OAMRDUWJKMMYPS-SEZDTBSWSA-N 1 0 212.293 0.360 10 0 BCAERO CC(C)(C)[C@H](O)CNC(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638278859 352115558 /nfs/dbraw/zinc/11/55/58/352115558.db2.gz LPLTWCKEYHPTCX-NXEZZACHSA-N 1 0 226.320 0.557 10 0 BCAERO N[C@H]1C[NH2+]CC[C@@H]1c1cccc(O)c1F ZINC000725270362 538102138 /nfs/dbraw/zinc/10/21/38/538102138.db2.gz IYOQYZBHRSWDIH-APPZFPTMSA-N 1 0 210.252 0.936 10 0 BCAERO CC(C)S(=O)(=O)Nc1cccc(C[NH3+])n1 ZINC000725270006 538102187 /nfs/dbraw/zinc/10/21/87/538102187.db2.gz BQYRQOHIFAXIHG-UHFFFAOYSA-N 1 0 229.305 0.690 10 0 BCAERO COCC[NH+](C/C=C/C(=O)OC)CCOC ZINC000217680949 363127634 /nfs/dbraw/zinc/12/76/34/363127634.db2.gz GIBCISZHVXGFNQ-SNAWJCMRSA-N 1 0 231.292 0.310 10 0 BCAERO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)[C@H]1CCCO1 ZINC000166382674 133894113 /nfs/dbraw/zinc/89/41/13/133894113.db2.gz JGTUAUMPLLTPHU-OUAUKWLOSA-N 1 0 226.320 0.894 10 0 BCAERO C[C@@H]1C[C@@H](CN=[S@](C)(=O)N(C)C)CC[NH2+]1 ZINC000725270847 538102427 /nfs/dbraw/zinc/10/24/27/538102427.db2.gz SZEPISXWOWTGLB-FTGAXOIBSA-N 1 0 233.381 0.949 10 0 BCAERO O=C1NCCC[C@H]1[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000638459127 352267710 /nfs/dbraw/zinc/26/77/10/352267710.db2.gz FKEVNTOEMNTBCE-LMLFDSFASA-N 1 0 208.305 0.901 10 0 BCAERO CN(C(=O)c1cccnn1)[C@@H](C[NH3+])C(F)(F)F ZINC000638434124 352243083 /nfs/dbraw/zinc/24/30/83/352243083.db2.gz HWSZZDUDYBDQQQ-ZETCQYMHSA-N 1 0 248.208 0.438 10 0 BCAERO COC1CCC(NC(=O)[C@H]2CC[NH2+]C2)CC1 ZINC000638444826 352251067 /nfs/dbraw/zinc/25/10/67/352251067.db2.gz JRPQZGPLVTZSOD-WHXUTIOJSA-N 1 0 226.320 0.670 10 0 BCAERO COC[C@@H]([NH3+])C(=O)NC1CCC(OC)CC1 ZINC000638444935 352251930 /nfs/dbraw/zinc/25/19/30/352251930.db2.gz KOHKSBWYZPEDPH-UDNWOFFPSA-N 1 0 230.308 0.034 10 0 BCAERO COC[C@@]1(C(=O)NCC2CC=CC2)CCC[NH2+]1 ZINC000638494570 352308944 /nfs/dbraw/zinc/30/89/44/352308944.db2.gz YSBVHNMTBUCWLJ-CYBMUJFWSA-N 1 0 238.331 0.837 10 0 BCAERO C[C@H]1CS(=O)(=O)C[C@H]1[NH2+]C1CSC1 ZINC000307354967 352321077 /nfs/dbraw/zinc/32/10/77/352321077.db2.gz YAKXMDQZQUHFPO-POYBYMJQSA-N 1 0 221.347 0.125 10 0 BCAERO CC(=O)N1CCC2(CC1)C[NH2+]C[C@H](C)O2 ZINC000725271338 538103104 /nfs/dbraw/zinc/10/31/04/538103104.db2.gz CYQZJRYFCLYRED-VIFPVBQESA-N 1 0 212.293 0.376 10 0 BCAERO COC[C@@H]([NH3+])C(=O)NCC[C@H]1CC=CCC1 ZINC000638601225 352436093 /nfs/dbraw/zinc/43/60/93/352436093.db2.gz OAQUZTWUPHAMLV-WDEREUQCSA-N 1 0 226.320 0.823 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)N1CCO[C@H](COCC)C1 ZINC000638602949 352439517 /nfs/dbraw/zinc/43/95/17/352439517.db2.gz PSHWXXCEWYRMBG-WDEREUQCSA-N 1 0 244.335 0.378 10 0 BCAERO Cc1ncccc1CNC(=O)[C@H]1CC[NH2+]C1 ZINC000638603042 352439524 /nfs/dbraw/zinc/43/95/24/352439524.db2.gz ZGJVCORNIHVUEF-NSHDSACASA-N 1 0 219.288 0.616 10 0 BCAERO CCNS(=O)(=O)C[C@]12CC[NH2+][C@H]1CCCC2 ZINC000725272041 538103800 /nfs/dbraw/zinc/10/38/00/538103800.db2.gz FZPRDXPVJFPMBW-QWRGUYRKSA-N 1 0 246.376 0.848 10 0 BCAERO C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1NC(=O)[C@H]1CC[NH2+]C1 ZINC000638630158 352469284 /nfs/dbraw/zinc/46/92/84/352469284.db2.gz QQXYNBAFRQCWFR-HHKYUTTNSA-N 1 0 226.320 0.524 10 0 BCAERO C[C@@H]1CSC[C@H]1[NH2+][C@@H]1CNC(=O)C1 ZINC000307376824 352475483 /nfs/dbraw/zinc/47/54/83/352475483.db2.gz BXADGHAMTCKDFR-GJMOJQLCSA-N 1 0 200.307 0.216 10 0 BCAERO CCNC(=O)N1CCC2(CC1)C[NH2+]C[C@@H](C)O2 ZINC000725271518 538103594 /nfs/dbraw/zinc/10/35/94/538103594.db2.gz HARDZLGZQJWNGN-SNVBAGLBSA-N 1 0 241.335 0.559 10 0 BCAERO COC[C@@H]1C[NH2+]CCN1C(=O)C(C)C ZINC000725272470 538104278 /nfs/dbraw/zinc/10/42/78/538104278.db2.gz GISIJTGYKDYEBP-VIFPVBQESA-N 1 0 200.282 0.089 10 0 BCAERO CCNC(=O)N1C[C@H](C)OC2(CC[NH2+]CC2)C1 ZINC000725272634 538104345 /nfs/dbraw/zinc/10/43/45/538104345.db2.gz SMHHIWBDAQFJGO-JTQLQIEISA-N 1 0 241.335 0.559 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)NCCOCCC[NH3+])O1 ZINC000638662589 352503730 /nfs/dbraw/zinc/50/37/30/352503730.db2.gz XGILEVMDPONWGG-NXEZZACHSA-N 1 0 230.308 0.036 10 0 BCAERO CCCCCCOC[C@H](O)C[NH2+]CCC(N)=O ZINC000037891587 168671903 /nfs/dbraw/zinc/67/19/03/168671903.db2.gz DLBUBSSQQLSYEH-LLVKDONJSA-N 1 0 246.351 0.409 10 0 BCAERO C[S@](=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000307384430 352511043 /nfs/dbraw/zinc/51/10/43/352511043.db2.gz JPVVMNLMNKKJNB-QARKVSRYSA-N 1 0 202.323 0.339 10 0 BCAERO [NH3+][C@@H]1CC[C@@H](C(=O)N2CCO[C@H](CCF)C2)C1 ZINC000638684444 352522282 /nfs/dbraw/zinc/52/22/82/352522282.db2.gz SHEYSPQAIFRMQF-GMTAPVOTSA-N 1 0 244.310 0.701 10 0 BCAERO [NH3+][C@@H]1CC[C@H](C(=O)N2CCO[C@@H](CCF)C2)C1 ZINC000638684443 352522287 /nfs/dbraw/zinc/52/22/87/352522287.db2.gz SHEYSPQAIFRMQF-AXFHLTTASA-N 1 0 244.310 0.701 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)N1CCO[C@@H](CCF)C1 ZINC000638684507 352522298 /nfs/dbraw/zinc/52/22/98/352522298.db2.gz SYDSLBUJWGMDHD-VHSXEESVSA-N 1 0 232.299 0.701 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N[C@@H]1CO[C@@H](C2CC2)C1 ZINC000638694149 352531006 /nfs/dbraw/zinc/53/10/06/352531006.db2.gz BTQKRUBBNITSRI-GARJFASQSA-N 1 0 226.320 0.798 10 0 BCAERO C[NH2+][C@H](C)C(=O)N[C@H]1CO[C@H](C2CC2)C1 ZINC000638694791 352532039 /nfs/dbraw/zinc/53/20/39/352532039.db2.gz ILIQMNGZZJAITR-QNSHHTMESA-N 1 0 212.293 0.278 10 0 BCAERO C[NH2+][C@H](C)C(=O)N[C@H](C)c1cnn(C)c1 ZINC000389735080 352552627 /nfs/dbraw/zinc/55/26/27/352552627.db2.gz UETYBLXCKLMLFT-HTQZYQBOSA-N 1 0 210.281 0.205 10 0 BCAERO CS(C)(=O)=NC(=O)[C@@H]1CCC[NH2+]C1 ZINC000307416241 352589692 /nfs/dbraw/zinc/58/96/92/352589692.db2.gz YHWCMTLVEQIARI-SSDOTTSWSA-N 1 0 204.295 0.240 10 0 BCAERO CC(C)[C@H](C)C(=O)N1CCN=C1CC[NH3+] ZINC000725272606 538104415 /nfs/dbraw/zinc/10/44/15/538104415.db2.gz QRHNPKMQFYZZPG-VIFPVBQESA-N 1 0 211.309 0.868 10 0 BCAERO [NH3+][C@@H](CC1OCCO1)c1cnsc1 ZINC000404867627 352601946 /nfs/dbraw/zinc/60/19/46/352601946.db2.gz WTBIBTLEHZXXRB-ZETCQYMHSA-N 1 0 200.263 0.906 10 0 BCAERO CC(C)[C@@H](C)NC(=O)N[C@@H](C)C1C[NH2+]C1 ZINC000725273173 538104512 /nfs/dbraw/zinc/10/45/12/538104512.db2.gz ZSDXBRCUQONINN-BDAKNGLRSA-N 1 0 213.325 0.938 10 0 BCAERO Cc1nn(C)c(NCC[NH3+])c1Br ZINC000307467102 352615809 /nfs/dbraw/zinc/61/58/09/352615809.db2.gz KSLXBPQXLHAJRK-UHFFFAOYSA-N 1 0 233.113 0.862 10 0 BCAERO CS[C@@H]1CCC[C@@H]1N1C[C@H]([NH3+])C1=O ZINC000300381772 352561336 /nfs/dbraw/zinc/56/13/36/352561336.db2.gz FSSLDELZSVOXIN-BIIVOSGPSA-N 1 0 200.307 0.440 10 0 BCAERO CON(C)C(=O)C1([NH3+])CCC(C)CC1 ZINC000307395269 352569066 /nfs/dbraw/zinc/56/90/66/352569066.db2.gz NDQUHVBKPDTLOI-UHFFFAOYSA-N 1 0 200.282 0.914 10 0 BCAERO CC(C)N1C(=O)C[C@@H](SCC[NH3+])C1=O ZINC000036854463 187759803 /nfs/dbraw/zinc/75/98/03/187759803.db2.gz JXJCQOGMOCPUKT-SSDOTTSWSA-N 1 0 216.306 0.214 10 0 BCAERO CC[S@](=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000307400198 352572671 /nfs/dbraw/zinc/57/26/71/352572671.db2.gz ZKYMPGHWYOBYSG-QARKVSRYSA-N 1 0 202.323 0.339 10 0 BCAERO Cn1cc[nH+]c1NCC1([S@](C)=O)CC1 ZINC000307540574 352644195 /nfs/dbraw/zinc/64/41/95/352644195.db2.gz WJEYZAFZZHZMRB-AWEZNQCLSA-N 1 0 213.306 0.743 10 0 BCAERO C[C@H](C(N)=S)[N@@H+]1CCO[C@@H](C)[C@@H]1C ZINC000307543071 352644774 /nfs/dbraw/zinc/64/47/74/352644774.db2.gz DVDGKPOGYOUJQC-RNJXMRFFSA-N 1 0 202.323 0.770 10 0 BCAERO CC1(O)CN(C(=[NH2+])NCc2ccccc2)C1 ZINC000307552057 352648018 /nfs/dbraw/zinc/64/80/18/352648018.db2.gz JUMAZHWHLLOZTP-UHFFFAOYSA-N 1 0 219.288 0.778 10 0 BCAERO COC(=O)[C@@H]1C[NH2+]C[C@@H]1C1CCOCC1 ZINC000229213115 352652647 /nfs/dbraw/zinc/65/26/47/352652647.db2.gz NBYDJFXOZNFYIK-NXEZZACHSA-N 1 0 213.277 0.422 10 0 BCAERO O=c1oc2ccccc2n1C[C@@H](O)C[NH2+]C1CC1 ZINC000036950827 187768585 /nfs/dbraw/zinc/76/85/85/187768585.db2.gz FBDKSQZVSXSOEE-JTQLQIEISA-N 1 0 248.282 0.707 10 0 BCAERO CC(C)CC(=O)N(CC(N)=O)[C@H]1CCC[NH2+]C1 ZINC000037541894 187768720 /nfs/dbraw/zinc/76/87/20/187768720.db2.gz JDMBYWNWDFZPKU-JTQLQIEISA-N 1 0 241.335 0.098 10 0 BCAERO Cc1cc(C(=O)N2CCCC[C@H]2C[NH3+])on1 ZINC000044540885 352654631 /nfs/dbraw/zinc/65/46/31/352654631.db2.gz TUDNSOZSOHESER-VIFPVBQESA-N 1 0 223.276 0.936 10 0 BCAERO COC1CCC2(C[NH2+]C[C@@H]2C(N)=O)CC1 ZINC000229226132 352659762 /nfs/dbraw/zinc/65/97/62/352659762.db2.gz WEWSBHDJAFNJNI-INWMGODYSA-N 1 0 212.293 0.267 10 0 BCAERO C[NH+](C)C[C@@H]1COC[C@@H]1N1CCC[C@@H](CO)C1 ZINC000725273870 538104825 /nfs/dbraw/zinc/10/48/25/538104825.db2.gz OTEYRQCLZLUFMP-UPJWGTAASA-N 1 0 242.363 0.267 10 0 BCAERO [NH3+][C@H]1CN(c2cnn(Cc3ccccc3)c2)C1=O ZINC000307588780 352661374 /nfs/dbraw/zinc/66/13/74/352661374.db2.gz YMYLNWAIEFHECW-LBPRGKRZSA-N 1 0 242.282 0.605 10 0 BCAERO CC[S@](=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000307592512 352662986 /nfs/dbraw/zinc/66/29/86/352662986.db2.gz HXIXLGNVDFFODN-RWEMILLDSA-N 1 0 202.323 0.211 10 0 BCAERO CC1(C)SC[C@@H]1NC(=O)[C@@H]1CC[NH2+]1 ZINC000307590138 352663773 /nfs/dbraw/zinc/66/37/73/352663773.db2.gz BNSINIUDHHYPCN-BQBZGAKWSA-N 1 0 200.307 0.359 10 0 BCAERO CC(C)(C)[C@H]([NH3+])C(=O)Nc1ncccn1 ZINC000040458762 187786358 /nfs/dbraw/zinc/78/63/58/187786358.db2.gz MRSHMDFWHVWGBL-SSDOTTSWSA-N 1 0 208.265 0.789 10 0 BCAERO O=C1CC2(C[NH2+]C2)n2ccnc2N1C1CC1 ZINC000725273733 538104739 /nfs/dbraw/zinc/10/47/39/538104739.db2.gz YIVGLSLHRNGZLN-UHFFFAOYSA-N 1 0 218.260 0.081 10 0 BCAERO Cn1ncc(Br)c1[C@@H](O)C(C)(C)[NH3+] ZINC000307529581 352635384 /nfs/dbraw/zinc/63/53/84/352635384.db2.gz UPTBKNLLUQZIRQ-SSDOTTSWSA-N 1 0 248.124 0.953 10 0 BCAERO Cn1ncc(Br)c1[C@H](O)C(C)(C)[NH3+] ZINC000307529582 352635667 /nfs/dbraw/zinc/63/56/67/352635667.db2.gz UPTBKNLLUQZIRQ-ZETCQYMHSA-N 1 0 248.124 0.953 10 0 BCAERO Cc1cc(O)cc(NC(=O)[C@H]2C[C@@H](O)C[NH2+]2)c1 ZINC000638757129 352687873 /nfs/dbraw/zinc/68/78/73/352687873.db2.gz OLRGKSNKMZCMTD-GHMZBOCLSA-N 1 0 236.271 0.362 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N1C[C@@H]2CCCC[C@@]21C ZINC000638757280 352688330 /nfs/dbraw/zinc/68/83/30/352688330.db2.gz JKROLVSEHZKVDI-UMNHJUIQSA-N 1 0 226.320 0.751 10 0 BCAERO C[NH+](C)C[C@@H]1COC[C@@H]1N1CCC[C@H](CO)C1 ZINC000725273871 538104893 /nfs/dbraw/zinc/10/48/93/538104893.db2.gz OTEYRQCLZLUFMP-XQQFMLRXSA-N 1 0 242.363 0.267 10 0 BCAERO CN(C)C(=O)[C@@H]1CC[N@@H+]([C@H]2CCCC[C@@H]2O)C1 ZINC000411945971 191230680 /nfs/dbraw/zinc/23/06/80/191230680.db2.gz SBVYVGHERHZQNN-WOPDTQHZSA-N 1 0 240.347 0.700 10 0 BCAERO CC(C)(C)[C@@H]1CC[C@@H](S(N)(=O)=O)C[NH2+]1 ZINC000232510902 352976547 /nfs/dbraw/zinc/97/65/47/352976547.db2.gz RKMIBSXTNQUIAL-SFYZADRCSA-N 1 0 220.338 0.442 10 0 BCAERO C[C@@]1(O)CC[NH2+]C[C@H]1SC1COC1 ZINC000300953828 363200641 /nfs/dbraw/zinc/20/06/41/363200641.db2.gz ZZJKQUAZAOTZMN-RKDXNWHRSA-N 1 0 203.307 0.231 10 0 BCAERO C[C@@H]([NH3+])C(=O)N1CCSC[C@H](C)C1 ZINC000306747116 353037368 /nfs/dbraw/zinc/03/73/68/353037368.db2.gz IYYSZUJTOOJJGN-HTQZYQBOSA-N 1 0 202.323 0.545 10 0 BCAERO O=C(N1CC[C@H]2C[NH2+]C[C@H]2C1)C(F)(F)F ZINC000306499682 353020280 /nfs/dbraw/zinc/02/02/80/353020280.db2.gz WLMVBFSRENYOGX-BQBZGAKWSA-N 1 0 222.210 0.617 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N[C@H]1CCCC12CC2 ZINC000638835706 353021771 /nfs/dbraw/zinc/02/17/71/353021771.db2.gz ZSBRHXJPPDMFAV-BDAKNGLRSA-N 1 0 212.293 0.409 10 0 BCAERO COC[C@H]([NH3+])C(=O)N[C@@H]1CCCC12CC2 ZINC000638835707 353021810 /nfs/dbraw/zinc/02/18/10/353021810.db2.gz ZSBRHXJPPDMFAV-DTWKUNHWSA-N 1 0 212.293 0.409 10 0 BCAERO C[C@H](C1CC1)N(C)C(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000638853095 353024332 /nfs/dbraw/zinc/02/43/32/353024332.db2.gz JBIRYYNAEOJGNW-FKTZTGRPSA-N 1 0 214.284 0.943 10 0 BCAERO O=C1C[C@H]([NH2+][C@H]2CCC[C@@H](O)C2)CCCN1 ZINC000638858120 353034380 /nfs/dbraw/zinc/03/43/80/353034380.db2.gz LJCCHTOFQDLAGC-HBNTYKKESA-N 1 0 226.320 0.548 10 0 BCAERO CC[C@](C)(NC(=O)[C@H]1C[NH2+]CCOC1)C1CC1 ZINC000638858557 353034911 /nfs/dbraw/zinc/03/49/11/353034911.db2.gz SPBACTAZSBTGNN-GWCFXTLKSA-N 1 0 240.347 0.917 10 0 BCAERO CCN1CC[C@H](NC(=O)C[C@@H]([NH3+])C(C)C)C1=O ZINC000638825911 353007573 /nfs/dbraw/zinc/00/75/73/353007573.db2.gz XWLSZJHWGHWBCP-ZJUUUORDSA-N 1 0 241.335 0.097 10 0 BCAERO O=C(N[C@H]1CCCC12CC2)[C@H]1COCCN1 ZINC000638832583 353013825 /nfs/dbraw/zinc/01/38/25/353013825.db2.gz RSCNZDYSXIMOEB-ZJUUUORDSA-N 1 0 224.304 0.424 10 0 BCAERO CO[C@H](C)C(=O)N1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000638890579 353058640 /nfs/dbraw/zinc/05/86/40/353058640.db2.gz CVPWMHIJGFDZBJ-HLTSFMKQSA-N 1 0 200.282 0.075 10 0 BCAERO CO[C@H](C)C(=O)N1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000638890581 353058670 /nfs/dbraw/zinc/05/86/70/353058670.db2.gz CVPWMHIJGFDZBJ-YIZRAAEISA-N 1 0 200.282 0.075 10 0 BCAERO CCOCCC(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000638890496 353058683 /nfs/dbraw/zinc/05/86/83/353058683.db2.gz SJBUXUAOBLDDMQ-NXEZZACHSA-N 1 0 214.309 0.466 10 0 BCAERO C[C@@H]1CN(C(=O)c2cncc(F)c2)C[C@@H]1C[NH3+] ZINC000638891936 353059483 /nfs/dbraw/zinc/05/94/83/353059483.db2.gz IAYRBYZUGPGDDY-SCZZXKLOSA-N 1 0 237.278 0.888 10 0 BCAERO C[C@@H]1CN(C(=O)CC(F)(F)F)C[C@@H]1C[NH3+] ZINC000638891157 353059596 /nfs/dbraw/zinc/05/95/96/353059596.db2.gz TTYPEZSWGGVBPD-RQJHMYQMSA-N 1 0 224.226 0.992 10 0 BCAERO C[C@H]1CN(C(=O)Cc2ccn(C)n2)C[C@@H]1C[NH3+] ZINC000638898233 353061038 /nfs/dbraw/zinc/06/10/38/353061038.db2.gz JMOPGPSKURXUAN-UWVGGRQHSA-N 1 0 236.319 0.016 10 0 BCAERO C[C@H]1CN(C(=O)c2ccn(C)n2)C[C@H]1C[NH3+] ZINC000638900091 353062362 /nfs/dbraw/zinc/06/23/62/353062362.db2.gz GGZLACZAGSMSCZ-DTWKUNHWSA-N 1 0 222.292 0.087 10 0 BCAERO COCC1(CC(=O)N2C[C@@H](C)[C@@H](C[NH3+])C2)CC1 ZINC000638900835 353062971 /nfs/dbraw/zinc/06/29/71/353062971.db2.gz HPWGEDQYOSAJTP-MNOVXSKESA-N 1 0 240.347 0.856 10 0 BCAERO C[C@@H]1CN(C(=O)[C@@H]2CC23CC3)C[C@@H]1C[NH3+] ZINC000638902452 353063846 /nfs/dbraw/zinc/06/38/46/353063846.db2.gz MIIYGSGGHSWNKA-UTLUCORTSA-N 1 0 208.305 0.840 10 0 BCAERO [NH3+]C1CN([S@](=O)C2CCCCC2)C1 ZINC000307402194 353074144 /nfs/dbraw/zinc/07/41/44/353074144.db2.gz BBIBLMXZCUSGDW-CYBMUJFWSA-N 1 0 202.323 0.626 10 0 BCAERO [NH3+][C@@H]1CSC[C@@H]1Cc1cnsn1 ZINC000306843996 353042408 /nfs/dbraw/zinc/04/24/08/353042408.db2.gz DHCHYLWBEFUXCC-CAHLUQPWSA-N 1 0 201.320 0.771 10 0 BCAERO C[C@H]1CS(=O)(=O)C[C@H]1[NH2+]C1CCC1 ZINC000306874892 353043331 /nfs/dbraw/zinc/04/33/31/353043331.db2.gz ASVQCOJGXDTMFS-IONNQARKSA-N 1 0 203.307 0.562 10 0 BCAERO CC(C)(C)OC(=O)[C@@]1(O)CCCC[C@H]1[NH3+] ZINC000083263342 538107287 /nfs/dbraw/zinc/10/72/87/538107287.db2.gz PSQOOADKSLXCDF-LDYMZIIASA-N 1 0 215.293 0.961 10 0 BCAERO C[C@H](C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1)n1cccn1 ZINC000638883947 353050774 /nfs/dbraw/zinc/05/07/74/353050774.db2.gz CUOFLLHVNLPILX-GMTAPVOTSA-N 1 0 236.319 0.497 10 0 BCAERO C[C@@H]1CN(C(=O)c2cccn2C)C[C@@H]1C[NH3+] ZINC000638884322 353051243 /nfs/dbraw/zinc/05/12/43/353051243.db2.gz GYOXRPQLVQFERY-ZJUUUORDSA-N 1 0 221.304 0.692 10 0 BCAERO Cc1ccc(C(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)c(=O)[nH]1 ZINC000638886856 353053850 /nfs/dbraw/zinc/05/38/50/353053850.db2.gz JJUYDSGCMMCTDX-PSASIEDQSA-N 1 0 249.314 0.762 10 0 BCAERO C[C@@H]1CN(C(=O)CCn2cccn2)C[C@H]1C[NH3+] ZINC000638894392 353055277 /nfs/dbraw/zinc/05/52/77/353055277.db2.gz OGXOLVIIZKOJCK-GHMZBOCLSA-N 1 0 236.319 0.326 10 0 BCAERO C[C@@H]1CN(C(=O)Cc2cc[nH]n2)C[C@H]1C[NH3+] ZINC000638894995 353056100 /nfs/dbraw/zinc/05/61/00/353056100.db2.gz SAISPXATBSTSLU-RKDXNWHRSA-N 1 0 222.292 0.005 10 0 BCAERO C[C@H]1CN(C(=O)[C@H]2CCCO2)C[C@H]1C[NH3+] ZINC000638896015 353056624 /nfs/dbraw/zinc/05/66/24/353056624.db2.gz VOVWJQVUDPWJJU-IVZWLZJFSA-N 1 0 212.293 0.219 10 0 BCAERO CO[C@@H]1COCC[C@]1([NH3+])c1nccs1 ZINC000307133814 353056675 /nfs/dbraw/zinc/05/66/75/353056675.db2.gz YRPYFCNQAZHIFL-VXNVDRBHSA-N 1 0 214.290 0.732 10 0 BCAERO Cn1cnc(C(=O)[C@]2(C)CCC[NH2+]C2)c1 ZINC000307724670 353112664 /nfs/dbraw/zinc/11/26/64/353112664.db2.gz ZCCNBEGAEQCSPQ-LLVKDONJSA-N 1 0 207.277 0.993 10 0 BCAERO C[C@@H]1CCC[C@@H](C)[NH+]1C[C@@](C)(N)CO ZINC000222988359 353091738 /nfs/dbraw/zinc/09/17/38/353091738.db2.gz NCVOUMHGBZFFLJ-GMTAPVOTSA-N 1 0 200.326 0.959 10 0 BCAERO CNc1nnc([C@@H]([NH3+])CC(F)F)n1C ZINC000307706974 353092060 /nfs/dbraw/zinc/09/20/60/353092060.db2.gz GOZVBQLZCQCZJQ-BYPYZUCNSA-N 1 0 205.212 0.512 10 0 BCAERO C[C@@H]1CSC[C@H]1[NH2+][C@H]1COC[C@H]1O ZINC000307744399 353123493 /nfs/dbraw/zinc/12/34/93/353123493.db2.gz OMZHLZFNXDKVSG-BZNPZCIMSA-N 1 0 203.307 0.087 10 0 BCAERO CC1(C)CN(CCCS(C)(=O)=O)CC[C@H]1[NH3+] ZINC000304364896 188076557 /nfs/dbraw/zinc/07/65/57/188076557.db2.gz ZFKBZPDQPYIHAW-SNVBAGLBSA-N 1 0 248.392 0.480 10 0 BCAERO CCN1CCC[C@@H]([NH2+][C@H](C)CC(N)=O)C1 ZINC000336756600 353156129 /nfs/dbraw/zinc/15/61/29/353156129.db2.gz ITJQIKOZOHALFL-NXEZZACHSA-N 1 0 213.325 0.324 10 0 BCAERO CCCCCNC(=O)[C@H](C)N1C[C@H](C)[C@H]([NH3+])C1 ZINC000300047383 168710417 /nfs/dbraw/zinc/71/04/17/168710417.db2.gz DCOWXLNQQIBBRV-SDDRHHMPSA-N 1 0 241.379 0.960 10 0 BCAERO C[C@H]1C[NH2+]C[C@@H]1C(=O)c1cccnc1N ZINC000226379376 353174664 /nfs/dbraw/zinc/17/46/64/353174664.db2.gz YUGRAHAZVXFXEV-CBAPKCEASA-N 1 0 205.261 0.702 10 0 BCAERO COC(=O)CCCC(=O)N1CC[NH2+][C@@H](C)C1 ZINC000067799492 188101417 /nfs/dbraw/zinc/10/14/17/188101417.db2.gz DGYGQUPIOTXTNJ-VIFPVBQESA-N 1 0 228.292 0.150 10 0 BCAERO Cc1n[nH]c(C)c1C(=O)NC1CC([NH3+])C1 ZINC000036256484 188104159 /nfs/dbraw/zinc/10/41/59/188104159.db2.gz QISGVZFNZPAKOG-UHFFFAOYSA-N 1 0 208.265 0.246 10 0 BCAERO CC(C)(CO)NC(=O)[C@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000035605304 188104285 /nfs/dbraw/zinc/10/42/85/188104285.db2.gz FAZVOWHLCPCZCM-OUAUKWLOSA-N 1 0 240.347 0.794 10 0 BCAERO [NH3+][C@@H](Cc1c[nH]c2cc[nH+]cc12)C(=O)[O-] ZINC000079165281 538109959 /nfs/dbraw/zinc/10/99/59/538109959.db2.gz ANQYIRMPOYWSSM-QMMMGPOBSA-N 1 0 205.217 0.517 10 0 BCAERO COC[C@H]([NH3+])C(=O)N[C@@]12C[C@@H]1CCCC2 ZINC000638975179 353180761 /nfs/dbraw/zinc/18/07/61/353180761.db2.gz XWOCFJBSVYEVTP-QXEWZRGKSA-N 1 0 212.293 0.409 10 0 BCAERO CC(C)[C@H]([NH3+])C(=O)N1CCC[C@@H]1C(=O)N(C)C ZINC000036136265 188112109 /nfs/dbraw/zinc/11/21/09/188112109.db2.gz AFMJUYCBGKLNKG-ZJUUUORDSA-N 1 0 241.335 0.049 10 0 BCAERO COCCN(CCOC)c1cc(C[NH3+])ccn1 ZINC000036195732 188112333 /nfs/dbraw/zinc/11/23/33/188112333.db2.gz VADYXRIKAPXUAT-UHFFFAOYSA-N 1 0 239.319 0.640 10 0 BCAERO [NH3+]Cc1ccccc1CN1CCCS1(=O)=O ZINC000036809160 188112443 /nfs/dbraw/zinc/11/24/43/188112443.db2.gz YDPNYYLYZVUSTN-UHFFFAOYSA-N 1 0 240.328 0.681 10 0 BCAERO Cc1n[nH]c(C)c1C(=O)N[C@H]1CCC[NH2+]C1 ZINC000036287112 188112495 /nfs/dbraw/zinc/11/24/95/188112495.db2.gz WDGZZABKDVZHFH-VIFPVBQESA-N 1 0 222.292 0.508 10 0 BCAERO Cn1nnnc1N[C@H]1c2ccccc2C[C@H]1[NH3+] ZINC000104320797 180876076 /nfs/dbraw/zinc/87/60/76/180876076.db2.gz ALWLKUVNAXRJFX-ZJUUUORDSA-N 1 0 230.275 0.247 10 0 BCAERO CC(=O)NCC[NH2+][C@@H]1CCCc2c1cnn2C ZINC000037051833 188113392 /nfs/dbraw/zinc/11/33/92/188113392.db2.gz WKSHJPKWGDZPLL-LLVKDONJSA-N 1 0 236.319 0.523 10 0 BCAERO CC(C)N1C(=O)C[C@H]([NH2+]C[C@@H](C)N(C)C)C1=O ZINC000038089022 188116542 /nfs/dbraw/zinc/11/65/42/188116542.db2.gz ZCOIUQKYLUQLBZ-ZJUUUORDSA-N 1 0 241.335 0.062 10 0 BCAERO CC(=O)CC(=O)NCC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000038019389 188116857 /nfs/dbraw/zinc/11/68/57/188116857.db2.gz ABCJNJDPAAYZAS-YOGCLGLASA-N 1 0 238.331 0.955 10 0 BCAERO COC(=O)C[C@H](C)[N@@H+]1C[C@H](C(N)=O)CC[C@@H]1C ZINC000042429762 188119378 /nfs/dbraw/zinc/11/93/78/188119378.db2.gz JVUKCDLYAIEASN-LPEHRKFASA-N 1 0 242.319 0.524 10 0 BCAERO CC(C)[C@H](CN(C)C)[NH2+][C@H]1CCCCNC1=O ZINC000049216278 188124654 /nfs/dbraw/zinc/12/46/54/188124654.db2.gz VIWDXMWVPWDBAK-RYUDHWBXSA-N 1 0 241.379 0.831 10 0 BCAERO CC(C)[C@H](C)NC(=O)C[NH2+][C@@H](C)C(=O)N(C)C ZINC000049308387 188124674 /nfs/dbraw/zinc/12/46/74/188124674.db2.gz CDYQVIVNQJKBSF-UWVGGRQHSA-N 1 0 243.351 0.213 10 0 BCAERO CC1=C(C(=O)N(C)C)C2(CC[NH2+]CC2)OC1=O ZINC000049453318 188124922 /nfs/dbraw/zinc/12/49/22/188124922.db2.gz SWZYMXSPFZLEIY-UHFFFAOYSA-N 1 0 238.287 0.070 10 0 BCAERO CC(C)Cn1cnnc1CN1CC[NH2+]CC1 ZINC000054526103 188127170 /nfs/dbraw/zinc/12/71/70/188127170.db2.gz SXSCQFQJTCEAQV-UHFFFAOYSA-N 1 0 223.324 0.339 10 0 BCAERO [NH3+]Cc1ccccc1CNC(=O)c1cnns1 ZINC000061841195 188128124 /nfs/dbraw/zinc/12/81/24/188128124.db2.gz ICZKUCZDSLKYBA-UHFFFAOYSA-N 1 0 248.311 0.927 10 0 BCAERO CCCn1ccnc(O[C@H]2CC[NH2+]C2)c1=O ZINC000061771598 188128285 /nfs/dbraw/zinc/12/82/85/188128285.db2.gz GCCUIWMPWMXIJD-VIFPVBQESA-N 1 0 223.276 0.394 10 0 BCAERO Cn1ccnc(NC2CCC([NH3+])CC2)c1=O ZINC000061747795 188128298 /nfs/dbraw/zinc/12/82/98/188128298.db2.gz ORJBGDTWTWFPCV-UHFFFAOYSA-N 1 0 222.292 0.462 10 0 BCAERO CN(C)c1ccc(C(=O)NCC[NH3+])cc1 ZINC000036906700 363208134 /nfs/dbraw/zinc/20/81/34/363208134.db2.gz XJPYVDAYLLEMED-UHFFFAOYSA-N 1 0 207.277 0.441 10 0 BCAERO CC(=O)N1CCN(C(=O)CC[C@@H](C)C[NH3+])CC1 ZINC000076623896 188133849 /nfs/dbraw/zinc/13/38/49/188133849.db2.gz OZZXWROTSQTFPJ-SNVBAGLBSA-N 1 0 241.335 0.052 10 0 BCAERO CC(C)(C)[C@@H]([NH3+])C(=O)NC1CCC(O)CC1 ZINC000077488019 188136430 /nfs/dbraw/zinc/13/64/30/188136430.db2.gz KRJUXPFULWKNRP-RTBKNWGFSA-N 1 0 228.336 0.780 10 0 BCAERO C[C@H]1CN[C@@H](C(=O)N(C)CC2CCCC2)C[NH2+]1 ZINC000104346668 188151365 /nfs/dbraw/zinc/15/13/65/188151365.db2.gz FXQVUTHHZJWOAP-CMPLNLGQSA-N 1 0 239.363 0.585 10 0 BCAERO CC1(C)C[C@H]1NS(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000045138434 188152380 /nfs/dbraw/zinc/15/23/80/188152380.db2.gz OYJNLCRTJSQMCH-RKDXNWHRSA-N 1 0 232.349 0.456 10 0 BCAERO C[n+]1cccc(-c2nn3cnnc3s2)c1 ZINC000226774148 188154804 /nfs/dbraw/zinc/15/48/04/188154804.db2.gz JIIVQTSXGSTHHG-UHFFFAOYSA-N 1 0 218.265 0.677 10 0 BCAERO C([NH2+]C[C@@H]1COCCO1)C1CCOCC1 ZINC000052172248 188157867 /nfs/dbraw/zinc/15/78/67/188157867.db2.gz LRWVETMJHNBLSJ-LLVKDONJSA-N 1 0 215.293 0.418 10 0 BCAERO CSc1ccc([C@@H](O)[C@@H]([NH3+])CO)cc1 ZINC000000056799 188158239 /nfs/dbraw/zinc/15/82/39/188158239.db2.gz IULJJGJXIGQINK-VHSXEESVSA-N 1 0 213.302 0.762 10 0 BCAERO C(N[C@H]1CC[NH2+]C1)[C@@H]1CSCCS1 ZINC000229584902 188159466 /nfs/dbraw/zinc/15/94/66/188159466.db2.gz ODZBWKJLJYSLPT-DTWKUNHWSA-N 1 0 218.391 0.787 10 0 BCAERO Cc1ccc(CNC(=O)[C@H]2C[NH2+]CCOC2)o1 ZINC000638989999 353223807 /nfs/dbraw/zinc/22/38/07/353223807.db2.gz SVCKNLQXSVBVOY-JTQLQIEISA-N 1 0 238.287 0.440 10 0 BCAERO CC(C)([NH3+])C(=O)N(CCO)C1CCCC1 ZINC000040924115 188149564 /nfs/dbraw/zinc/14/95/64/188149564.db2.gz GWIFYEVMLUMQGB-UHFFFAOYSA-N 1 0 214.309 0.487 10 0 BCAERO C[C@H]1C[NH2+]C[C@H]1C(=O)NCCCOCC1CC1 ZINC000111263994 188176487 /nfs/dbraw/zinc/17/64/87/188176487.db2.gz GUODGYNLNJSJTG-CMPLNLGQSA-N 1 0 240.347 0.775 10 0 BCAERO CCOC(=O)[C@@H](C)N1CC[NH2+]C[C@@H]1C ZINC000054374675 188177434 /nfs/dbraw/zinc/17/74/34/188177434.db2.gz CHFURVIWVNERBZ-DTWKUNHWSA-N 1 0 200.282 0.232 10 0 BCAERO O=C(NC[C@@H]1CCCOC1)[C@@H]1CC[NH2+]C1 ZINC000062115458 188183652 /nfs/dbraw/zinc/18/36/52/188183652.db2.gz JKYFIYOWSJLHBT-VHSXEESVSA-N 1 0 212.293 0.139 10 0 BCAERO CC[C@H](CC[NH3+])N1CCn2ccnc2C1 ZINC000062248408 188184077 /nfs/dbraw/zinc/18/40/77/188184077.db2.gz JGUSEXBDJQXWBJ-SNVBAGLBSA-N 1 0 208.309 0.826 10 0 BCAERO FC(F)n1ccnc1C[NH2+]C[C@H]1COCCO1 ZINC000038061875 180912686 /nfs/dbraw/zinc/91/26/86/180912686.db2.gz NNIGJNNAWVIBLL-QMMMGPOBSA-N 1 0 247.245 0.783 10 0 BCAERO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](C)C1CC1 ZINC000126113498 188219841 /nfs/dbraw/zinc/21/98/41/188219841.db2.gz VWITZVHNNQWGKT-KWQFWETISA-N 1 0 241.335 0.001 10 0 BCAERO C[C@@H](O)C(C)(C)NC(=O)C1([NH3+])CCC1 ZINC000128360880 353285105 /nfs/dbraw/zinc/28/51/05/353285105.db2.gz ZXKJGNDLRUNTDX-SSDOTTSWSA-N 1 0 200.282 0.143 10 0 BCAERO Cn1nncc1C(=O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000129189341 353314657 /nfs/dbraw/zinc/31/46/57/353314657.db2.gz NHQWJERCIRLAEE-SFYZADRCSA-N 1 0 208.265 0.515 10 0 BCAERO [NH3+][C@H](C1CC1)[C@H]1CCCCS1(=O)=O ZINC000129767879 353328781 /nfs/dbraw/zinc/32/87/81/353328781.db2.gz IOYXEHOYWGMPSI-RKDXNWHRSA-N 1 0 203.307 0.691 10 0 BCAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]Cc1cn(C)cn1 ZINC000381780011 538115968 /nfs/dbraw/zinc/11/59/68/538115968.db2.gz XUIGIHFEVUCGJL-WPRPVWTQSA-N 1 0 222.292 0.177 10 0 BCAERO CCCC[C@@H](COC)[NH2+][C@@H]1CCNC1=O ZINC000309212524 491053272 /nfs/dbraw/zinc/05/32/72/491053272.db2.gz SYZGABZGGNXEFQ-VHSXEESVSA-N 1 0 214.309 0.670 10 0 BCAERO C[C@H]([NH3+])CC(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000252432891 363247368 /nfs/dbraw/zinc/24/73/68/363247368.db2.gz CTSOMZMMTSKGFR-DJLDLDEBSA-N 1 0 200.282 0.360 10 0 BCAERO [NH3+][C@]1(c2csc(CO)n2)CCOC1 ZINC000165854216 353753347 /nfs/dbraw/zinc/75/33/47/353753347.db2.gz YUJQBUBJYFRXTM-MRVPVSSYSA-N 1 0 200.263 0.210 10 0 BCAERO CCOC[C@H](C)[NH2+]C[C@@H]1CN(CC)CCO1 ZINC000086004589 491056075 /nfs/dbraw/zinc/05/60/75/491056075.db2.gz JTHPUOXCCFPANF-NWDGAFQWSA-N 1 0 230.352 0.722 10 0 BCAERO CC(C)([NH2+]C[C@@H]1CCCCO1)C(N)=O ZINC000042361764 188504564 /nfs/dbraw/zinc/50/45/64/188504564.db2.gz ZRIPBYHCTIEVAQ-QMMMGPOBSA-N 1 0 200.282 0.409 10 0 BCAERO C[C@H]1C[NH2+]C[C@H]1C(=O)Nc1ccccc1CO ZINC000104205040 188505602 /nfs/dbraw/zinc/50/56/02/188505602.db2.gz YFIYPOOBUOWYBO-GXSJLCMTSA-N 1 0 234.299 0.973 10 0 BCAERO CC1CC([NH2+][C@@H]2C=CS(=O)(=O)C2)C1 ZINC000232841712 353791840 /nfs/dbraw/zinc/79/18/40/353791840.db2.gz POUSWOFDQDHUPR-QJAFJHJLSA-N 1 0 201.291 0.685 10 0 BCAERO CN1C(=O)N(c2cccnc2)[C@H]2C[NH2+]CC[C@H]21 ZINC000606303663 353860845 /nfs/dbraw/zinc/86/08/45/353860845.db2.gz YNLJOSBUQXQREX-MNOVXSKESA-N 1 0 232.287 0.684 10 0 BCAERO CO[C@H]1CN(Cc2cc(C)no2)[C@@](C)(C[NH3+])C1 ZINC000630079612 363291040 /nfs/dbraw/zinc/29/10/40/363291040.db2.gz YUWMLLHFTHQKQR-VXGBXAGGSA-N 1 0 239.319 0.921 10 0 BCAERO CO[C@@H]1CN(Cc2cc(C)no2)[C@](C)(C[NH3+])C1 ZINC000630079611 363291184 /nfs/dbraw/zinc/29/11/84/363291184.db2.gz YUWMLLHFTHQKQR-RYUDHWBXSA-N 1 0 239.319 0.921 10 0 BCAERO CO[C@@H]1C[C@@H](CO)[N@H+](C[C@@H]2CCCOC2)C1 ZINC000343997086 354064971 /nfs/dbraw/zinc/06/49/71/354064971.db2.gz ZXWZKVCBQSQMIY-SDDRHHMPSA-N 1 0 229.320 0.495 10 0 BCAERO COC[C@H]1CCN(C(=O)[C@@H]2CCC[NH2+][C@@H]2C)C1 ZINC000094648582 259452183 /nfs/dbraw/zinc/45/21/83/259452183.db2.gz QIPIHXAROWAJCS-GRYCIOLGSA-N 1 0 240.347 0.869 10 0 BCAERO COCCN(C)C[C@@H](O)C[NH2+]C1(C(C)C)CC1 ZINC000379428101 358484054 /nfs/dbraw/zinc/48/40/54/358484054.db2.gz FVDZFQOZFMYDGK-LBPRGKRZSA-N 1 0 244.379 0.704 10 0 BCAERO CC(C)(C)OC(=O)N1C[C@@H](O)[C@]2(CC[NH2+]C2)C1 ZINC000096987298 188583145 /nfs/dbraw/zinc/58/31/45/188583145.db2.gz FTLIEQVUCQSYLH-SKDRFNHKSA-N 1 0 242.319 0.578 10 0 BCAERO C[NH2+]C[C@H]1C(C)(C)[C@@]12CCS(=O)(=O)C2 ZINC000301033016 363356006 /nfs/dbraw/zinc/35/60/06/363356006.db2.gz VRSGMWNDDDSFGG-WCBMZHEXSA-N 1 0 217.334 0.667 10 0 BCAERO CO[C@@H]1C[C@@H](CO)[N@H+](CCCOC(C)C)C1 ZINC000344746925 354349235 /nfs/dbraw/zinc/34/92/35/354349235.db2.gz UOIJEOULNJMXSJ-NWDGAFQWSA-N 1 0 231.336 0.883 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)N2CC[NH2+][C@H](C)[C@@H]2C)O1 ZINC000379449329 358488501 /nfs/dbraw/zinc/48/85/01/358488501.db2.gz ANALHVAKXBARRT-CHWFTXMASA-N 1 0 226.320 0.763 10 0 BCAERO Cn1c(Cl)cnc1[C@H]1OC[C@@H](C[NH3+])O1 ZINC000301046260 363374248 /nfs/dbraw/zinc/37/42/48/363374248.db2.gz YISLFGFNHKGWFA-XRGYYRRGSA-N 1 0 217.656 0.446 10 0 BCAERO [NH3+]C1CN(Cc2cncc(Br)c2)C1 ZINC000160779216 358489441 /nfs/dbraw/zinc/48/94/41/358489441.db2.gz YLRCYJMEFJEZRQ-UHFFFAOYSA-N 1 0 242.120 0.987 10 0 BCAERO C[C@H]1SCC[N@H+](C[C@@H](O)C[NH3+])[C@H]1C ZINC000301048511 363381551 /nfs/dbraw/zinc/38/15/51/363381551.db2.gz QPAZHGXTIRVRKB-YIZRAAEISA-N 1 0 204.339 0.132 10 0 BCAERO Cn1nccc1CC[N@@H+]1C[C@@H](F)C[C@H]1CO ZINC000346367400 354919732 /nfs/dbraw/zinc/91/97/32/354919732.db2.gz OILCMRVQQQKNPM-ONGXEEELSA-N 1 0 227.283 0.367 10 0 BCAERO CC1CCN(C(=O)[C@H]([NH3+])C2CCOCC2)CC1 ZINC000261735182 535272583 /nfs/dbraw/zinc/27/25/83/535272583.db2.gz KCSFXKUXTFORAO-GFCCVEGCSA-N 1 0 240.347 0.999 10 0 BCAERO CC(C)[C@@H]1C[C@H](NC(=O)C2C[NH2+]C2)CCO1 ZINC000262239551 535275733 /nfs/dbraw/zinc/27/57/33/535275733.db2.gz NTWRJQXBVMCPMC-MNOVXSKESA-N 1 0 226.320 0.526 10 0 BCAERO CCCCNC(=O)C[N@H+](C)CC1CC(O)C1 ZINC000084453733 535281294 /nfs/dbraw/zinc/28/12/94/535281294.db2.gz AWBXACYZUBVZQW-UHFFFAOYSA-N 1 0 228.336 0.605 10 0 BCAERO CCNC(=O)CN1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000113518327 355239289 /nfs/dbraw/zinc/23/92/89/355239289.db2.gz RPEXWWUGNTZYOT-WDEREUQCSA-N 1 0 225.336 0.291 10 0 BCAERO CC[N@@H+]1CC[C@H](NC(=O)NCC2CC2)C1 ZINC000413074279 191354392 /nfs/dbraw/zinc/35/43/92/191354392.db2.gz OANBRHLJLSNYGR-JTQLQIEISA-N 1 0 211.309 0.790 10 0 BCAERO NC(=[NH2+])Nc1cccc([C@H]([NH3+])P(=O)([O-])[O-])c1 ZINC000096927245 181190640 /nfs/dbraw/zinc/19/06/40/181190640.db2.gz HFYMXJJYHWLVOY-SSDOTTSWSA-N 1 0 244.191 0.127 10 0 BCAERO COC[C@@H](C[N@@H+]1CC[C@H](CCO)C1)OC ZINC000659952087 491079932 /nfs/dbraw/zinc/07/99/32/491079932.db2.gz GYYODJTWZXJAFT-GHMZBOCLSA-N 1 0 217.309 0.352 10 0 BCAERO C[C@@]1(NC(N)N=N)CC[N@H+](Cc2ccccc2)C1 ZINC000405982475 355522116 /nfs/dbraw/zinc/52/21/16/355522116.db2.gz FEWVVFJZUAKQEV-CYBMUJFWSA-N 1 0 247.346 0.639 10 0 BCAERO CO[C@@H](C[NH2+]C[C@@H]1CC(=O)N(C)C1)C1CC1 ZINC000639319487 355711619 /nfs/dbraw/zinc/71/16/19/355711619.db2.gz CWCDPMHJHMBYOY-ONGXEEELSA-N 1 0 226.320 0.479 10 0 BCAERO Cc1cnc(C[NH2+]C[C@@H]2CC(=O)N(C)C2)o1 ZINC000639318969 355713110 /nfs/dbraw/zinc/71/31/10/355713110.db2.gz ALRMUJDTOVMQME-VIFPVBQESA-N 1 0 223.276 0.551 10 0 BCAERO C[C@@H]1C[C@H]([NH2+]C[C@H]2CC(=O)N(C)C2)CS1 ZINC000639319616 355719936 /nfs/dbraw/zinc/71/99/36/355719936.db2.gz FRSMKNXXAJSPAM-BBBLOLIVSA-N 1 0 228.361 0.948 10 0 BCAERO CO[C@]1(C[NH2+]C[C@@H]2CCCC[C@@H]2O)CCOC1 ZINC000393963391 355676585 /nfs/dbraw/zinc/67/65/85/355676585.db2.gz VTXHUXCGTMSQOA-AVGNSLFASA-N 1 0 243.347 0.933 10 0 BCAERO C[C@@H]([NH3+])c1ccc(NC(=O)[C@H]2CNC(=O)C2)cc1 ZINC000335890328 355682400 /nfs/dbraw/zinc/68/24/00/355682400.db2.gz ZZSIEDZXBHPRQL-PSASIEDQSA-N 1 0 247.298 0.781 10 0 BCAERO [NH3+]C1CC(NC(=O)NCC(F)(F)F)C1 ZINC000166548183 355688075 /nfs/dbraw/zinc/68/80/75/355688075.db2.gz MLJSLDKBPSXZCZ-UHFFFAOYSA-N 1 0 211.187 0.338 10 0 BCAERO CCN1CC[C@@H]([NH2+][C@H](C)CS(=O)(=O)CC)C1 ZINC000389169350 355755276 /nfs/dbraw/zinc/75/52/76/355755276.db2.gz NITDTTDPELAGIA-GHMZBOCLSA-N 1 0 248.392 0.493 10 0 BCAERO CCN1CC[C@@H]([NH2+]Cc2ccc(CO)o2)C1 ZINC000389186447 355775851 /nfs/dbraw/zinc/77/58/51/355775851.db2.gz SHDJEQQIHXJQGG-SNVBAGLBSA-N 1 0 224.304 0.956 10 0 BCAERO Cc1cc(C[NH2+][C@H]2CCOC[C@@H]2O)sn1 ZINC000639353656 355803280 /nfs/dbraw/zinc/80/32/80/355803280.db2.gz ABHRHICHKBPCTP-UWVGGRQHSA-N 1 0 228.317 0.691 10 0 BCAERO COCC1(C[NH2+][C@H]2CCOC[C@@H]2O)CCC1 ZINC000639355207 355808976 /nfs/dbraw/zinc/80/89/76/355808976.db2.gz QPTNWTZUBNPEHD-QWRGUYRKSA-N 1 0 229.320 0.543 10 0 BCAERO C[C@@H]1C[C@H]([NH2+][C@@H]2CCOC[C@@H]2O)CS1 ZINC000639355789 355809838 /nfs/dbraw/zinc/80/98/38/355809838.db2.gz YMMFDZOQCVASMC-RGOKHQFPSA-N 1 0 217.334 0.620 10 0 BCAERO CCS(=O)(=O)N1CCC(C)([NH2+]C)CC1 ZINC000168459196 355835697 /nfs/dbraw/zinc/83/56/97/355835697.db2.gz WHXOZIPXXRFYEL-UHFFFAOYSA-N 1 0 220.338 0.410 10 0 BCAERO CS(=O)(=O)c1ccc([C@@]2([NH3+])CCOC2)cc1 ZINC000309178834 355836314 /nfs/dbraw/zinc/83/63/14/355836314.db2.gz DUEGGTQFEUMKBM-LLVKDONJSA-N 1 0 241.312 0.664 10 0 BCAERO NC(=O)C1(N2CC[NH2+]CC2)CCCCCCC1 ZINC000037945751 181213545 /nfs/dbraw/zinc/21/35/45/181213545.db2.gz VCLMWDKRVWIZNV-UHFFFAOYSA-N 1 0 239.363 0.860 10 0 BCAERO NC(=O)C1CC[NH+](C2CCS(=O)CC2)CC1 ZINC000058825712 181216178 /nfs/dbraw/zinc/21/61/78/181216178.db2.gz HOWZOTLNLURPQF-UHFFFAOYSA-N 1 0 244.360 0.095 10 0 BCAERO CC[C@@H]([NH2+]C)[C@@H]1CCCCS1(=O)=O ZINC000166801926 355848426 /nfs/dbraw/zinc/84/84/26/355848426.db2.gz GEJHATYXWCJQJX-BDAKNGLRSA-N 1 0 205.323 0.952 10 0 BCAERO c1nn[nH]c1C[NH2+][C@H]1CO[C@H](C2CC2)C1 ZINC000628364098 355851073 /nfs/dbraw/zinc/85/10/73/355851073.db2.gz MCDVQGXTJIQEIF-SCZZXKLOSA-N 1 0 208.265 0.462 10 0 BCAERO C[C@@H]1C[C@H](C)[C@H](C)[N@H+](C[C@H](N)CO)C1 ZINC000166878368 355861011 /nfs/dbraw/zinc/86/10/11/355861011.db2.gz UFFLQVXFFCBYAY-RCWTZXSCSA-N 1 0 200.326 0.672 10 0 BCAERO NC(=O)C1([NH2+]Cc2cccs2)CCOCC1 ZINC000037946622 181215564 /nfs/dbraw/zinc/21/55/64/181215564.db2.gz UUARTANODVAADF-UHFFFAOYSA-N 1 0 240.328 0.872 10 0 BCAERO NC(=O)C1CCN([C@H]2CCCC[C@H]2[NH3+])CC1 ZINC000040431747 181217884 /nfs/dbraw/zinc/21/78/84/181217884.db2.gz OAQFWQMWBQQCGR-MNOVXSKESA-N 1 0 225.336 0.454 10 0 BCAERO CC[N@@H+]1CC[C@H](Nc2ccc3nccnc3n2)C1 ZINC000389331756 355974383 /nfs/dbraw/zinc/97/43/83/355974383.db2.gz HVKMNKCFPKGKIM-JTQLQIEISA-N 1 0 243.314 0.904 10 0 BCAERO [NH3+]C[C@@H](NC(=O)[C@@H]1CSCN1)C1CCCC1 ZINC000417835022 191933807 /nfs/dbraw/zinc/93/38/07/191933807.db2.gz NLQVBORDZQATQM-ZJUUUORDSA-N 1 0 243.376 0.283 10 0 BCAERO CCN1CC[C@H]([NH2+]C[C@H](O)COC(C)C)C1 ZINC000389307160 355960347 /nfs/dbraw/zinc/96/03/47/355960347.db2.gz FNHPGQPCDPZZLN-RYUDHWBXSA-N 1 0 230.352 0.456 10 0 BCAERO NC(=O)CCC[NH2+]C[C@H](O)c1cccc(F)c1 ZINC000037894512 181223307 /nfs/dbraw/zinc/22/33/07/181223307.db2.gz XGFRKWXHHGCZHO-NSHDSACASA-N 1 0 240.278 0.714 10 0 BCAERO C[C@@H]1OCC[C@@H]1NC(=O)N1CCC[C@H]1C[NH3+] ZINC000417953448 191944772 /nfs/dbraw/zinc/94/47/72/191944772.db2.gz PODKBDIZUBAJNO-GUBZILKMSA-N 1 0 227.308 0.297 10 0 BCAERO NC(=O)CNCc1cnc2ccccc2n1 ZINC000037183915 181235594 /nfs/dbraw/zinc/23/55/94/181235594.db2.gz XTZYYZLTJVAMTO-UHFFFAOYSA-N 1 0 216.244 0.205 10 0 BCAERO NC(=O)CNCc1cccc2c1OCCO2 ZINC000036167329 181235792 /nfs/dbraw/zinc/23/57/92/181235792.db2.gz QNSRVIDYHCNZCI-UHFFFAOYSA-N 1 0 222.244 0.033 10 0 BCAERO NC(=O)C[NH2+][C@@H]1CCc2ccccc2C1 ZINC000035011263 181236927 /nfs/dbraw/zinc/23/69/27/181236927.db2.gz KJUIYOZIYAEWRW-LLVKDONJSA-N 1 0 204.273 0.619 10 0 BCAERO NC(=O)CC[NH2+]CC(=O)Nc1ccc(F)cc1 ZINC000036747334 181225677 /nfs/dbraw/zinc/22/56/77/181225677.db2.gz QPKVFJLQYKJFPG-UHFFFAOYSA-N 1 0 239.250 0.229 10 0 BCAERO NC(=O)CC[NH2+]Cc1cc2ccccc2[nH]c1=O ZINC000036746820 181225765 /nfs/dbraw/zinc/22/57/65/181225765.db2.gz BMPZXNMQEVUJQX-UHFFFAOYSA-N 1 0 245.282 0.493 10 0 BCAERO NC(=O)CC[C@@H]([NH3+])c1ccc2c(c1)CCO2 ZINC000037483852 181226303 /nfs/dbraw/zinc/22/63/03/181226303.db2.gz NTVGLOGAKUIENQ-SNVBAGLBSA-N 1 0 220.272 0.887 10 0 BCAERO NC(=O)CN(C1CCCC1)[C@H]1CCC[C@@H]1[NH3+] ZINC000042438621 181229030 /nfs/dbraw/zinc/22/90/30/181229030.db2.gz BISQCLCEARNDMO-QWRGUYRKSA-N 1 0 225.336 0.596 10 0 BCAERO NC(=O)C[N@@H+](Cc1ccccc1N)CC1CC1 ZINC000036765455 181229342 /nfs/dbraw/zinc/22/93/42/181229342.db2.gz IWHKDUWVYVCVSC-UHFFFAOYSA-N 1 0 233.315 0.966 10 0 BCAERO NC(=O)CN(C1CCCC1)[C@@H]1CCC[NH2+]C1 ZINC000042429083 181229761 /nfs/dbraw/zinc/22/97/61/181229761.db2.gz SKBXIFYYTOICAZ-LLVKDONJSA-N 1 0 225.336 0.468 10 0 BCAERO NC(=O)C[C@H]([NH3+])c1ccc2c(c1)OCCO2 ZINC000034963013 181245439 /nfs/dbraw/zinc/24/54/39/181245439.db2.gz YBMZWJFMLTVGNW-QMMMGPOBSA-N 1 0 222.244 0.333 10 0 BCAERO NC(=O)NC(=O)C[NH2+]Cc1cccc(F)c1 ZINC000020473612 181254166 /nfs/dbraw/zinc/25/41/66/181254166.db2.gz KXGLGGHSIUJHCY-UHFFFAOYSA-N 1 0 225.223 0.110 10 0 BCAERO Cc1nn(C)cc1C[NH2+][C@@H]1CCC[C@@H]1O ZINC000162663780 202027314 /nfs/dbraw/zinc/02/73/14/202027314.db2.gz FLXOEVSNKFJZPV-MNOVXSKESA-N 1 0 209.293 0.732 10 0 BCAERO C[C@@H](C[NH3+])CN=c1[nH]c2ccccc2[nH]1 ZINC000420216837 192192652 /nfs/dbraw/zinc/19/26/52/192192652.db2.gz NCKUUPLQLSDJQO-QMMMGPOBSA-N 1 0 204.277 0.992 10 0 BCAERO C[C@H]1[C@H]([NH3+])CCN1c1ncnc2[nH]ccc21 ZINC000420246747 192185414 /nfs/dbraw/zinc/18/54/14/192185414.db2.gz GEGHMEGGLUYEFZ-IONNQARKSA-N 1 0 217.276 0.884 10 0 BCAERO O[C@H]1C[NH2+]C[C@H]1CNc1ncccc1Cl ZINC000420258508 192189250 /nfs/dbraw/zinc/18/92/50/192189250.db2.gz XTJBSZOEUSXVIR-CBAPKCEASA-N 1 0 227.695 0.727 10 0 BCAERO NC(=O)[C@@H](N)CC[N@@H+]1CCCc2ccccc2C1 ZINC000062945213 181265335 /nfs/dbraw/zinc/26/53/35/181265335.db2.gz XJZDAEPPFFPWIY-ZDUSSCGKSA-N 1 0 247.342 0.638 10 0 BCAERO NC(=O)[C@@H]([NH2+]CC1CC1)c1cccnc1 ZINC000038000926 181264346 /nfs/dbraw/zinc/26/43/46/181264346.db2.gz BJHWWONAPCIGHN-JTQLQIEISA-N 1 0 205.261 0.608 10 0 BCAERO NC(=O)[C@@H]([NH2+]C1CCCC1)[C@H]1CCOC1 ZINC000037968802 181264403 /nfs/dbraw/zinc/26/44/03/181264403.db2.gz YCMFONFEJNKTMS-WPRPVWTQSA-N 1 0 212.293 0.409 10 0 BCAERO NC(=O)[C@@H]([NH3+])CCOCCOc1ccccc1 ZINC000062544052 181264463 /nfs/dbraw/zinc/26/44/63/181264463.db2.gz ODLIBTZBDXGRFR-NSHDSACASA-N 1 0 238.287 0.285 10 0 BCAERO NC(=O)[C@@H]([NH3+])COc1cccc(F)c1F ZINC000062653812 181265004 /nfs/dbraw/zinc/26/50/04/181265004.db2.gz LQSOCXFUESZNPR-LURJTMIESA-N 1 0 216.187 0.156 10 0 BCAERO CC1(C)CO[C@@H](CN2CCO[C@@H](CO)C2)C1 ZINC000639514711 356355570 /nfs/dbraw/zinc/35/55/70/356355570.db2.gz PUVCXMXBUOTOAZ-GHMZBOCLSA-N 1 0 229.320 0.495 10 0 BCAERO NC(=O)[C@@H]1CCCN(CC(=O)c2ccco2)C1 ZINC000035036799 181268892 /nfs/dbraw/zinc/26/88/92/181268892.db2.gz WJDOBDVPCWDWMP-SECBINFHSA-N 1 0 236.271 0.660 10 0 BCAERO NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(O)c(N)c1 ZINC000037273048 181271416 /nfs/dbraw/zinc/27/14/16/181271416.db2.gz DYKHBYMBILQDBT-JTQLQIEISA-N 1 0 235.287 0.424 10 0 BCAERO C[C@]([NH3+])(C(=O)c1cnccc1N)C1CC1 ZINC000168557910 356417911 /nfs/dbraw/zinc/41/79/11/356417911.db2.gz XCKQQEMLVVHZTE-LLVKDONJSA-N 1 0 205.261 0.974 10 0 BCAERO NC(=O)[C@@]1(N2CC[NH2+]CC2)CCc2ccccc21 ZINC000037945700 181275050 /nfs/dbraw/zinc/27/50/50/181275050.db2.gz QMEFYICMLMNZOB-CQSZACIVSA-N 1 0 245.326 0.219 10 0 BCAERO Cc1nccn1CCCN1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000420378377 192233797 /nfs/dbraw/zinc/23/37/97/192233797.db2.gz QKOZWEIRPUFKBU-PWSUYJOCSA-N 1 0 222.336 0.861 10 0 BCAERO c1cnc(N2CC[N@@H+]3CCC[C@@H]3C2)cn1 ZINC000192806596 356447657 /nfs/dbraw/zinc/44/76/57/356447657.db2.gz BIJQCUXCADJEGB-SNVBAGLBSA-N 1 0 204.277 0.761 10 0 BCAERO NC(=O)[C@H](O)[C@@H]([NH3+])CC1CCCCC1 ZINC000034304248 181278632 /nfs/dbraw/zinc/27/86/32/181278632.db2.gz YUQDGODESZLSPH-DTWKUNHWSA-N 1 0 200.282 0.130 10 0 BCAERO [NH3+]C[C@@H]1COCCN1Cc1nccs1 ZINC000129730152 356466495 /nfs/dbraw/zinc/46/64/95/356466495.db2.gz LLLMXRWKPPUJAZ-MRVPVSSYSA-N 1 0 213.306 0.303 10 0 BCAERO CC[NH+]1CCN(C=C2SC(=O)NC2=O)CC1 ZINC000618255023 356469315 /nfs/dbraw/zinc/46/93/15/356469315.db2.gz NBWBHELGZMNOJL-FPLPWBNLSA-N 1 0 241.316 0.448 10 0 BCAERO NC(=O)[C@H]1CCCCN1[C@@H]1CCC[NH2+]C1 ZINC000043501348 181279846 /nfs/dbraw/zinc/27/98/46/181279846.db2.gz BMYOCNNIMKGTJU-NXEZZACHSA-N 1 0 211.309 0.078 10 0 BCAERO NC(=O)[C@]1([NH2+]C[C@@H]2CCCO2)CCCSC1 ZINC000061590406 181284930 /nfs/dbraw/zinc/28/49/30/181284930.db2.gz USZWTGAJJROOJC-ONGXEEELSA-N 1 0 244.360 0.506 10 0 BCAERO NC(=O)[C@]1([NH2+]C2CCCC2)CN2CCC1CC2 ZINC000037969055 181284372 /nfs/dbraw/zinc/28/43/72/181284372.db2.gz LNOSRGBOFGZDMH-ZDUSSCGKSA-N 1 0 237.347 0.468 10 0 BCAERO OCC[N@@H+]1CCC[C@H](Nc2ccccn2)C1 ZINC000384378758 356632936 /nfs/dbraw/zinc/63/29/36/356632936.db2.gz NQGGOVGAQCNUEN-NSHDSACASA-N 1 0 221.304 0.950 10 0 BCAERO Cn1ccnc1[C@@H]1[C@H](C[NH3+])CCC(=O)N1C1CC1 ZINC000675058754 538482497 /nfs/dbraw/zinc/48/24/97/538482497.db2.gz WNKAFLHNJLTKGO-CABZTGNLSA-N 1 0 248.330 0.821 10 0 BCAERO CCN1C(=O)CC[C@@H](C[NH3+])[C@H]1c1nccn1C ZINC000675058773 538482560 /nfs/dbraw/zinc/48/25/60/538482560.db2.gz XGLBNUGUBPMKPB-ONGXEEELSA-N 1 0 236.319 0.678 10 0 BCAERO CC(C)[C@@H](C)NC(=O)N1CCO[C@](C)(C[NH3+])C1 ZINC000675059289 538482830 /nfs/dbraw/zinc/48/28/30/538482830.db2.gz MRGWOVGOYIOVBD-ZYHUDNBSSA-N 1 0 243.351 0.790 10 0 BCAERO CCC(=O)NC[C@]1(CC)C[NH2+]CCO1 ZINC000675059044 538483187 /nfs/dbraw/zinc/48/31/87/538483187.db2.gz IFCJKAIHDXLIAY-JTQLQIEISA-N 1 0 200.282 0.281 10 0 BCAERO CCCNC(=O)N1CCO[C@@](C[NH3+])(CCC)C1 ZINC000675058945 538483349 /nfs/dbraw/zinc/48/33/49/538483349.db2.gz DEGBXIJWGGHYMV-GFCCVEGCSA-N 1 0 243.351 0.936 10 0 BCAERO CCC[C@@H](C)C(=O)NC[C@]1(C)C[NH2+]CCO1 ZINC000675059272 538484414 /nfs/dbraw/zinc/48/44/14/538484414.db2.gz MMEGTACBVGHBHV-PWSUYJOCSA-N 1 0 228.336 0.917 10 0 BCAERO CCCC(=O)N1CC(OC2CC[NH2+]CC2)C1 ZINC000675055379 538475253 /nfs/dbraw/zinc/47/52/53/538475253.db2.gz RXUSVAGJMZGDLL-UHFFFAOYSA-N 1 0 226.320 0.766 10 0 BCAERO CC(C)(C)OC(=O)CC1(ON)CC[NH2+]CC1 ZINC000675055777 538476407 /nfs/dbraw/zinc/47/64/07/538476407.db2.gz XZIURVYTIKDJGX-UHFFFAOYSA-N 1 0 230.308 0.731 10 0 BCAERO CC(C)(C)OC(=O)[C@@H]1CCCN(CC[NH3+])C1=O ZINC000675055992 538476861 /nfs/dbraw/zinc/47/68/61/538476861.db2.gz HFAMZRKMJIQRJQ-SECBINFHSA-N 1 0 242.319 0.525 10 0 BCAERO CC(C)[C@H](C)NC(=O)NC[C@]1(C)C[NH2+]CCO1 ZINC000675059723 538485013 /nfs/dbraw/zinc/48/50/13/538485013.db2.gz VRNCWERPMSKZQX-JQWIXIFHSA-N 1 0 243.351 0.709 10 0 BCAERO O=C([O-])[C@@H]1CC[C@@H](C2CC[NH2+]CC2)C[NH2+]1 ZINC000675060016 538485078 /nfs/dbraw/zinc/48/50/78/538485078.db2.gz PZUSWZAZIPPOCQ-ZJUUUORDSA-N 1 0 212.293 0.439 10 0 BCAERO CCC[C@H](C)C(=O)N1CCO[C@](C)(C[NH3+])C1 ZINC000675059921 538485162 /nfs/dbraw/zinc/48/51/62/538485162.db2.gz YBBUHPCXJXGLGP-CMPLNLGQSA-N 1 0 228.336 0.999 10 0 BCAERO O=C([O-])[C@H]1CC[C@@H](C2CC[NH2+]CC2)C[NH2+]1 ZINC000675060012 538485225 /nfs/dbraw/zinc/48/52/25/538485225.db2.gz PZUSWZAZIPPOCQ-NXEZZACHSA-N 1 0 212.293 0.439 10 0 BCAERO C[C@@H]1C[NH2+]C[C@@H]([C@@H]2CCS(=O)(=O)C2)C1 ZINC000675060296 538485852 /nfs/dbraw/zinc/48/58/52/538485852.db2.gz VRYGOMOCLMOLKO-AEJSXWLSSA-N 1 0 217.334 0.667 10 0 BCAERO [NH3+][C@H]1COC[C@@H]1Oc1cnn(-c2ccccc2)c1 ZINC000675060195 538485981 /nfs/dbraw/zinc/48/59/81/538485981.db2.gz UGUZFGDYFWJDGH-STQMWFEESA-N 1 0 245.282 0.977 10 0 BCAERO CCC[C@@]1(C[NH3+])CN(C(C)=O)CCO1 ZINC000675060057 538486315 /nfs/dbraw/zinc/48/63/15/538486315.db2.gz ZYKRDAPSOOKRBO-SNVBAGLBSA-N 1 0 200.282 0.363 10 0 BCAERO [NH3+][C@@H]1COC[C@H]1Oc1cnn(-c2ccccc2)c1 ZINC000675060193 538486337 /nfs/dbraw/zinc/48/63/37/538486337.db2.gz UGUZFGDYFWJDGH-CHWSQXEVSA-N 1 0 245.282 0.977 10 0 BCAERO CC(C)N(C(C)C)[C@H]1C[NH2+]CC[C@H]1O ZINC000675060830 538486706 /nfs/dbraw/zinc/48/67/06/538486706.db2.gz QELPDULJNUJFSN-WDEREUQCSA-N 1 0 200.326 0.828 10 0 BCAERO CCC(=O)Nc1ccc([C@H](O)[C@@H]([NH3+])CO)cc1 ZINC000675060982 538486809 /nfs/dbraw/zinc/48/68/09/538486809.db2.gz UGFRHZCWEIFULZ-JQWIXIFHSA-N 1 0 238.287 0.388 10 0 BCAERO C[C@H]1C[C@@H](O)C[N@@H+]([C@@H]2CCCC[C@H]2O)C1 ZINC000401501344 538490624 /nfs/dbraw/zinc/49/06/24/538490624.db2.gz OSOBVRGHHJXNRY-IRCOFANPSA-N 1 0 213.321 0.993 10 0 BCAERO CC(C)[C@@H](C)C(=O)N(C1C[NH2+]C1)[C@@H]1CCOC1 ZINC000675068708 538497229 /nfs/dbraw/zinc/49/72/29/538497229.db2.gz DJUOUNMHARNRPL-GHMZBOCLSA-N 1 0 240.347 0.868 10 0 BCAERO [NH3+]C[C@@H]1C[C@@H]2C[C@@H](NC(=O)C3CC3)[C@H]2C1 ZINC000675068474 538497254 /nfs/dbraw/zinc/49/72/54/538497254.db2.gz AENKQHZSYZCUTF-CZULRBLNSA-N 1 0 208.305 0.886 10 0 BCAERO COc1cc(CC2=C[C@@H](O)C[NH2+]C2)sn1 ZINC000675076384 538511235 /nfs/dbraw/zinc/51/12/35/538511235.db2.gz CEFCLNUDEXLDOU-MRVPVSSYSA-N 1 0 226.301 0.585 10 0 BCAERO CCN1CC[C@@H]([NH2+]C[C@@H](O)COCC(C)C)C1 ZINC000389429941 356669821 /nfs/dbraw/zinc/66/98/21/356669821.db2.gz XVHSXFUQZBSLCS-CHWSQXEVSA-N 1 0 244.379 0.704 10 0 BCAERO CCCNC(=O)N1CCC[C@@H]2C[C@@]21C[NH3+] ZINC000675069820 538499251 /nfs/dbraw/zinc/49/92/51/538499251.db2.gz INKMRMAZSZYYPO-MWLCHTKSSA-N 1 0 211.309 0.919 10 0 BCAERO CC(C)S(=O)(=O)N[C@@H]1C[C@@H]2C[C@H](C[NH3+])C[C@H]12 ZINC000675070305 538500858 /nfs/dbraw/zinc/50/08/58/538500858.db2.gz NYOVRKCSCGGMPG-XWLWVQCSSA-N 1 0 246.376 0.688 10 0 BCAERO CCNC(=O)N[C@@H]1C[C@@H]2C[C@H](C[NH3+])C[C@H]12 ZINC000675070735 538501219 /nfs/dbraw/zinc/50/12/19/538501219.db2.gz SHHUXXSQPVXSBQ-AATLWQCWSA-N 1 0 211.309 0.679 10 0 BCAERO CC(C)OCCNC(=O)[C@H]1CCC[NH2+][C@@H]1C ZINC000159233092 535336389 /nfs/dbraw/zinc/33/63/89/535336389.db2.gz OPTPIMVKCNQBKS-MNOVXSKESA-N 1 0 228.336 0.916 10 0 BCAERO COc1ccc2c(c1)[C@H](CO)[NH2+]CCO2 ZINC000675072598 538503469 /nfs/dbraw/zinc/50/34/69/538503469.db2.gz AGCKKMDIDAGBPP-JTQLQIEISA-N 1 0 209.245 0.711 10 0 BCAERO CCC[C@@H](C)C(=O)NC1(C(=O)OC)CC([NH3+])C1 ZINC000675073263 538505088 /nfs/dbraw/zinc/50/50/88/538505088.db2.gz IEIZTJGLDBWHPW-YDNLMGDJSA-N 1 0 242.319 0.572 10 0 BCAERO CCn1ccnc1-c1cnn2c1C[NH2+]CC2 ZINC000675076677 538511561 /nfs/dbraw/zinc/51/15/61/538511561.db2.gz QBIQPTBBKXSMFJ-UHFFFAOYSA-N 1 0 217.276 0.870 10 0 BCAERO COc1cccc(C[C@@H]2[NH2+]CCCNC2=O)c1 ZINC000675068963 538497821 /nfs/dbraw/zinc/49/78/21/538497821.db2.gz UNPJYBDBKZLHSP-LBPRGKRZSA-N 1 0 234.299 0.716 10 0 BCAERO CCCC(=O)N(C1C[NH2+]C1)[C@@H]1CCOC1 ZINC000675068851 538497830 /nfs/dbraw/zinc/49/78/30/538497830.db2.gz FCXIEECZNHUUNL-SECBINFHSA-N 1 0 212.293 0.376 10 0 BCAERO CC(C)S(=O)(=O)N1CCC[C@@H]2C[C@@]21C[NH3+] ZINC000675068925 538497913 /nfs/dbraw/zinc/49/79/13/538497913.db2.gz FKLOAUDBIWNZBT-NXEZZACHSA-N 1 0 232.349 0.538 10 0 BCAERO Nc1cccc(-c2cn(C3C[NH2+]C3)nn2)c1 ZINC000675078516 538515778 /nfs/dbraw/zinc/51/57/78/538515778.db2.gz HJDSEJSMRIDUMG-UHFFFAOYSA-N 1 0 215.260 0.672 10 0 BCAERO Cc1ccnc(N)c1C1=C[C@H]([NH3+])CNC1 ZINC000675079314 538517362 /nfs/dbraw/zinc/51/73/62/538517362.db2.gz XOOWNZAZJWVSHE-VIFPVBQESA-N 1 0 204.277 0.286 10 0 BCAERO Cc1nn(C)cc1CC1=C[C@H](N)C[NH2+]C1 ZINC000675079296 538517700 /nfs/dbraw/zinc/51/77/00/538517700.db2.gz XLYZXGAYBDCOFJ-NSHDSACASA-N 1 0 206.293 0.128 10 0 BCAERO Cc1ccnc(N)c1C1=C[C@@H]([NH3+])CNC1 ZINC000675079311 538518126 /nfs/dbraw/zinc/51/81/26/538518126.db2.gz XOOWNZAZJWVSHE-SECBINFHSA-N 1 0 204.277 0.286 10 0 BCAERO CC[N@@H+]1CC[C@@H](NC(=O)[C@H](C)OC)C1 ZINC000389512619 356695051 /nfs/dbraw/zinc/69/50/51/356695051.db2.gz FGJRMMHSGSQTAR-DTWKUNHWSA-N 1 0 200.282 0.232 10 0 BCAERO COC[C@@H]([NH3+])c1cnnn1CC(F)F ZINC000675080279 538519764 /nfs/dbraw/zinc/51/97/64/538519764.db2.gz NEWDIECBIDMGFW-RXMQYKEDSA-N 1 0 206.196 0.189 10 0 BCAERO [NH3+][C@H]1C=C(c2c(F)cncc2F)CNC1 ZINC000675077349 538512197 /nfs/dbraw/zinc/51/21/97/538512197.db2.gz CRTXGCYVAZNDAY-ZETCQYMHSA-N 1 0 211.215 0.674 10 0 BCAERO COc1nscc1CC1=C[C@H](O)C[NH2+]C1 ZINC000675077135 538512570 /nfs/dbraw/zinc/51/25/70/538512570.db2.gz JOAQBIBECKRYII-VIFPVBQESA-N 1 0 226.301 0.585 10 0 BCAERO Cn1nc(CC2=C[C@@H](O)C[NH2+]C2)cc1Cl ZINC000675076944 538512846 /nfs/dbraw/zinc/51/28/46/538512846.db2.gz HROZXPYCXKCFIY-SECBINFHSA-N 1 0 227.695 0.507 10 0 BCAERO COc1nscc1C1=C[C@H]([NH3+])CNC1 ZINC000675077390 538512849 /nfs/dbraw/zinc/51/28/49/538512849.db2.gz DEINTFSVDWXCEI-ZETCQYMHSA-N 1 0 211.290 0.466 10 0 BCAERO COc1cccnc1C1=C[C@H]([NH3+])CNC1 ZINC000675077510 538512861 /nfs/dbraw/zinc/51/28/61/538512861.db2.gz FSYNNHWSGIBCCA-VIFPVBQESA-N 1 0 205.261 0.404 10 0 BCAERO Cc1ccn([C@H]2CC[C@@]([NH3+])(C(N)=O)C2)n1 ZINC000086627196 538559286 /nfs/dbraw/zinc/55/92/86/538559286.db2.gz WSLYUEJQAPEBOX-WPRPVWTQSA-N 1 0 208.265 0.099 10 0 BCAERO [NH3+]C[C@@H]1CC[C@H](NS(=O)(=O)C2CCCC2)C1 ZINC000382435980 538561114 /nfs/dbraw/zinc/56/11/14/538561114.db2.gz VSFFIKKZWBBMSP-ZJUUUORDSA-N 1 0 246.376 0.976 10 0 BCAERO NC(=O)[C@]1([NH3+])CCC[C@@H](n2cccn2)C1 ZINC000086604675 538556895 /nfs/dbraw/zinc/55/68/95/538556895.db2.gz OISWQFKNGCHJAK-SCZZXKLOSA-N 1 0 208.265 0.181 10 0 BCAERO CCCS(=O)(=O)N1CC2(C1)CC[NH2+]C2 ZINC000221259126 538557118 /nfs/dbraw/zinc/55/71/18/538557118.db2.gz ARJOHYSITIGLDG-UHFFFAOYSA-N 1 0 218.322 0.022 10 0 BCAERO C[NH2+][C@@]1(C(N)=O)CC[C@@H](n2cccn2)C1 ZINC000086626721 538557620 /nfs/dbraw/zinc/55/76/20/538557620.db2.gz JINQTFOVIDLDBJ-SCZZXKLOSA-N 1 0 208.265 0.052 10 0 BCAERO Cn1cnc2c1C1(CCOCC1)[NH2+]CC2 ZINC000084259036 538528564 /nfs/dbraw/zinc/52/85/64/538528564.db2.gz LCHRRLBRTCADPX-UHFFFAOYSA-N 1 0 207.277 0.572 10 0 BCAERO Cn1ncnc1Cc1ccccc1C[NH3+] ZINC000088138273 538573035 /nfs/dbraw/zinc/57/30/35/538573035.db2.gz AWKSVFMMWAOWPF-UHFFFAOYSA-N 1 0 202.261 0.865 10 0 BCAERO CCCS(=O)(=O)N1CC2(C1)CCC[NH2+]C2 ZINC000222856299 538590366 /nfs/dbraw/zinc/59/03/66/538590366.db2.gz KPRSTJYREICCCA-UHFFFAOYSA-N 1 0 232.349 0.412 10 0 BCAERO COC(=O)C(=O)[C@H](C)[C@@H]1CCC[C@H](C)[NH2+]1 ZINC000130375157 538590540 /nfs/dbraw/zinc/59/05/40/538590540.db2.gz NEUIFICODUBNTQ-YIZRAAEISA-N 1 0 213.277 0.895 10 0 BCAERO CCC[C@@H](C)C(=O)N1CC(N2CC[NH2+]CC2)C1 ZINC000090308775 538591742 /nfs/dbraw/zinc/59/17/42/538591742.db2.gz VUVIOJYXSRGMNS-LLVKDONJSA-N 1 0 239.363 0.539 10 0 BCAERO CC(C)(C)OC(=O)N1CC(O)(C(C)(C)C[NH3+])C1 ZINC000091925199 538597134 /nfs/dbraw/zinc/59/71/34/538597134.db2.gz PYFKDAKMMUAXQT-UHFFFAOYSA-N 1 0 244.335 0.953 10 0 BCAERO COc1cc([C@@H](O)[C@H](C)C[NH3+])sn1 ZINC000319200680 538615922 /nfs/dbraw/zinc/61/59/22/538615922.db2.gz DQFBTSBUFVXZAI-XRGYYRRGSA-N 1 0 202.279 0.780 10 0 BCAERO Cc1ccncc1C(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000578196356 366381184 /nfs/dbraw/zinc/38/11/84/366381184.db2.gz DVBRNGWKVGBBKQ-NWDGAFQWSA-N 1 0 247.298 0.203 10 0 BCAERO COC(=O)C[C@H](C)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000130455793 325053388 /nfs/dbraw/zinc/05/33/88/325053388.db2.gz QWLXKQHNEJSEDI-UWVGGRQHSA-N 1 0 242.319 0.348 10 0 BCAERO CC[C@](C)(O)C[NH2+][C@@H]1CCCC[C@@H]1C(N)=O ZINC000130613971 325073081 /nfs/dbraw/zinc/07/30/81/325073081.db2.gz PHFXSISILIIXPF-UMNHJUIQSA-N 1 0 228.336 0.781 10 0 BCAERO CCCCOC[C@H](O)C[N@H+](CC)CCO ZINC000193247788 356897818 /nfs/dbraw/zinc/89/78/18/356897818.db2.gz HDPMLUHZRAQQFE-LLVKDONJSA-N 1 0 219.325 0.478 10 0 BCAERO CN1CC[N@H+](C[C@@H]2Cc3ccccc32)[C@H](CO)C1 ZINC000639866782 356984923 /nfs/dbraw/zinc/98/49/23/356984923.db2.gz IJDUUYLRPDYIIG-KBPBESRZSA-N 1 0 246.354 0.935 10 0 BCAERO CC(C)[NH+]1CCC([C@@H](C[NH3+])C(=O)[O-])CC1 ZINC000258006790 538775116 /nfs/dbraw/zinc/77/51/16/538775116.db2.gz FEEWKOKOCCJQJV-SNVBAGLBSA-N 1 0 214.309 0.766 10 0 BCAERO CCCCOC[C@@H](O)C[N@H+](C)[C@H]1CCOC1 ZINC000300229142 357035497 /nfs/dbraw/zinc/03/54/97/357035497.db2.gz OJCDXZZATCQXOL-RYUDHWBXSA-N 1 0 231.336 0.885 10 0 BCAERO C[C@H]1CC[NH2+]C[C@@H]1Nc1ccc2nccnc2n1 ZINC000389710204 357017780 /nfs/dbraw/zinc/01/77/80/357017780.db2.gz TZCBFOYZFWKWMU-ONGXEEELSA-N 1 0 243.314 0.808 10 0 BCAERO COC[C@@](C)(O)C[NH2+]Cc1cnn(C)c1C ZINC000390638364 357109060 /nfs/dbraw/zinc/10/90/60/357109060.db2.gz MGUCDLDRRGTNFD-NSHDSACASA-N 1 0 227.308 0.216 10 0 BCAERO CCc1nc2n(n1)C[C@@H]([NH2+]C[C@H](C)O)CC2 ZINC000390652204 357109160 /nfs/dbraw/zinc/10/91/60/357109160.db2.gz PPVFCIZSONUCHO-IUCAKERBSA-N 1 0 224.308 0.126 10 0 BCAERO C[NH2+][C@H](C)C(=O)N1CCC[C@H]1CSC ZINC000399963928 357135843 /nfs/dbraw/zinc/13/58/43/357135843.db2.gz NYLMLPCVFVVGTL-BDAKNGLRSA-N 1 0 216.350 0.948 10 0 BCAERO CCCCS(=O)(=O)N1CCC[C@@]1(C)C[NH3+] ZINC000259336936 538812716 /nfs/dbraw/zinc/81/27/16/538812716.db2.gz YBNYNKBHMUXFGI-JTQLQIEISA-N 1 0 234.365 0.930 10 0 BCAERO COCCCC(=O)N1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC000404011923 357213016 /nfs/dbraw/zinc/21/30/16/357213016.db2.gz QCKFMVDERLGCLL-MNOVXSKESA-N 1 0 242.319 0.002 10 0 BCAERO CCCCS(=O)(=O)NC[C@@]1(C)CCC[NH2+]1 ZINC000157168489 538810668 /nfs/dbraw/zinc/81/06/68/538810668.db2.gz SKOGNYMKCXPIRL-SNVBAGLBSA-N 1 0 234.365 0.848 10 0 BCAERO NC(=O)c1cc(N[C@@H]2CCCC[C@H]2[NH3+])ccn1 ZINC000038050792 181290740 /nfs/dbraw/zinc/29/07/40/181290740.db2.gz UJOLCKNVGOZMKC-NXEZZACHSA-N 1 0 234.303 0.862 10 0 BCAERO C[C@H]1NC(=O)CC[C@H]1[NH2+]Cc1ccc(CO)o1 ZINC000392880837 357261567 /nfs/dbraw/zinc/26/15/67/357261567.db2.gz VDUSEKMWYILYCC-LDYMZIIASA-N 1 0 238.287 0.529 10 0 BCAERO CC(C)C(=O)NCC[NH2+][C@@H]1CCCC[C@H]1O ZINC000393053893 357267612 /nfs/dbraw/zinc/26/76/12/357267612.db2.gz PQDMPAIJZAKXJH-GHMZBOCLSA-N 1 0 228.336 0.652 10 0 BCAERO CC[NH2+]CCNc1nc(OC)cc(OC)n1 ZINC000168448624 134197965 /nfs/dbraw/zinc/19/79/65/134197965.db2.gz KFYAJCCUNKIROY-UHFFFAOYSA-N 1 0 226.280 0.515 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)N1CCOCC12CCC2 ZINC000582673351 357360622 /nfs/dbraw/zinc/36/06/22/357360622.db2.gz WAAJYKDAVJKZNZ-SNVBAGLBSA-N 1 0 226.320 0.895 10 0 BCAERO [NH3+]C[C@H]1CCCN1C(=O)[C@H]1CCSC1 ZINC000168861031 357382287 /nfs/dbraw/zinc/38/22/87/357382287.db2.gz QGQGZZDSIKRJFR-DTWKUNHWSA-N 1 0 214.334 0.689 10 0 BCAERO NC(=O)c1cc(N[C@@H]2CC[N@@H+]3CCC[C@H]23)ccn1 ZINC000049569060 181291064 /nfs/dbraw/zinc/29/10/64/181291064.db2.gz LTURPHNKKDGHNH-ZYHUDNBSSA-N 1 0 246.314 0.829 10 0 BCAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+][C@H]1COC(C)(C)C1 ZINC000396776848 357483052 /nfs/dbraw/zinc/48/30/52/357483052.db2.gz CEJHGMXWQHHNRI-AEJSXWLSSA-N 1 0 226.320 0.811 10 0 BCAERO C[C@]1(C(=O)N2CCc3n[nH]nc3C2)CCCC[NH2+]1 ZINC000396891788 357486965 /nfs/dbraw/zinc/48/69/65/357486965.db2.gz VXTLQQIZPQQUIW-GFCCVEGCSA-N 1 0 249.318 0.222 10 0 BCAERO Cc1cc(NCC[C@H](C)[NH3+])n2ncnc2n1 ZINC000063171589 357552890 /nfs/dbraw/zinc/55/28/90/357552890.db2.gz UVHHPQLCEXTGOW-ZETCQYMHSA-N 1 0 220.280 0.582 10 0 BCAERO C[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000189208126 357609216 /nfs/dbraw/zinc/60/92/16/357609216.db2.gz TXGROQKERZMZFL-SRVKXCTJSA-N 1 0 240.347 0.869 10 0 BCAERO COC(=O)C(=O)C[C@@H]1[NH2+]C[C@H]2CCC[C@@H]21 ZINC000229135798 538881354 /nfs/dbraw/zinc/88/13/54/538881354.db2.gz HMCJEPNOSQUCEM-VGMNWLOBSA-N 1 0 211.261 0.507 10 0 BCAERO CCCNC(=O)N1CC[C@@H]([NH3+])[C@H](F)C1 ZINC000685946569 538885829 /nfs/dbraw/zinc/88/58/29/538885829.db2.gz TWGPMDOSHTUDNM-HTQZYQBOSA-N 1 0 203.261 0.477 10 0 BCAERO COCC(=O)N1CCC2(CCC[C@H]2[NH3+])CC1 ZINC000685946042 538887655 /nfs/dbraw/zinc/88/76/55/538887655.db2.gz CCTYHAOAXIUPDK-SNVBAGLBSA-N 1 0 226.320 0.753 10 0 BCAERO CCCS(=O)(=O)N1CC[C@H]([NH3+])[C@H](F)C1 ZINC000685946896 538887890 /nfs/dbraw/zinc/88/78/90/538887890.db2.gz WGDAMSKOXNYESQ-SFYZADRCSA-N 1 0 224.301 0.097 10 0 BCAERO CC(C)([NH3+])c1cn(C(F)(F)CO)nn1 ZINC000685946898 538888040 /nfs/dbraw/zinc/88/80/40/538888040.db2.gz WJOKHQDOJMHTOG-UHFFFAOYSA-N 1 0 206.196 0.014 10 0 BCAERO CCCS(=O)(=O)N1CC[C@@H]([NH3+])[C@@H](F)C1 ZINC000685946895 538888096 /nfs/dbraw/zinc/88/80/96/538888096.db2.gz WGDAMSKOXNYESQ-JGVFFNPUSA-N 1 0 224.301 0.097 10 0 BCAERO COCCNC(=O)NC[C@]1(C)CCC[NH2+]1 ZINC000685946851 538888315 /nfs/dbraw/zinc/88/83/15/538888315.db2.gz DBMJYPPPGRYNIV-JTQLQIEISA-N 1 0 215.297 0.074 10 0 BCAERO [NH3+]C[C@H](C(=O)[O-])C1CC[NH+](C2CC2)CC1 ZINC000685946446 538888330 /nfs/dbraw/zinc/88/83/30/538888330.db2.gz KVXQOXQRFOGZHY-JTQLQIEISA-N 1 0 212.293 0.520 10 0 BCAERO NC(=O)OCc1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000685946300 538888351 /nfs/dbraw/zinc/88/83/51/538888351.db2.gz IMXLRNUXIHMPPP-ZETCQYMHSA-N 1 0 225.252 0.039 10 0 BCAERO CCCNC(=O)N1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000685947267 538888653 /nfs/dbraw/zinc/88/86/53/538888653.db2.gz SZIXCKWOUOLPLX-GXSJLCMTSA-N 1 0 211.309 0.919 10 0 BCAERO CCCS(=O)(=O)N1CCCC2(C[NH2+]C2)C1 ZINC000685946984 538888734 /nfs/dbraw/zinc/88/87/34/538888734.db2.gz HSSFSMQYEZDXRN-UHFFFAOYSA-N 1 0 232.349 0.412 10 0 BCAERO O=S(=O)(NC[C@@]12CC[C@@H]1CC[NH2+]2)C1CC1 ZINC000685947424 538889137 /nfs/dbraw/zinc/88/91/37/538889137.db2.gz VLKQAETVHUTIMB-SCZZXKLOSA-N 1 0 230.333 0.210 10 0 BCAERO CCS(=O)(=O)NC[C@]12CC[C@@H]1CC[NH2+]2 ZINC000685947468 538889180 /nfs/dbraw/zinc/88/91/80/538889180.db2.gz WCWHYUZATDWEBD-RKDXNWHRSA-N 1 0 218.322 0.068 10 0 BCAERO CCS(=O)(=O)NC[C@@]12CC[C@@H]1CC[NH2+]2 ZINC000685947465 538889324 /nfs/dbraw/zinc/88/93/24/538889324.db2.gz WCWHYUZATDWEBD-BDAKNGLRSA-N 1 0 218.322 0.068 10 0 BCAERO COC(=O)[C@H](N)CC[NH2+]C1CCCCC1 ZINC000685947842 538889612 /nfs/dbraw/zinc/88/96/12/538889612.db2.gz QQEJEKCILJCJJB-SNVBAGLBSA-N 1 0 214.309 0.799 10 0 BCAERO COCCC(=O)N1CC2(C1)CCC[NH2+]C2 ZINC000685948109 538890340 /nfs/dbraw/zinc/89/03/40/538890340.db2.gz XVULDYKGHQGUSZ-UHFFFAOYSA-N 1 0 212.293 0.235 10 0 BCAERO CCNC(=O)N1CC2(C1)C[NH2+]CC2(F)F ZINC000685948639 538891413 /nfs/dbraw/zinc/89/14/13/538891413.db2.gz CXPFKTGVPDCOJE-UHFFFAOYSA-N 1 0 219.235 0.256 10 0 BCAERO OCC[NH+](CCO)[C@H]1CCOC12CCCC2 ZINC000685948745 538891595 /nfs/dbraw/zinc/89/15/95/538891595.db2.gz DZZCNLOKCBAKJH-NSHDSACASA-N 1 0 229.320 0.375 10 0 BCAERO CS(=O)(=O)N[C@@]12CC[NH2+][C@@H]1CCCC2 ZINC000685949018 538891996 /nfs/dbraw/zinc/89/19/96/538891996.db2.gz INEPUQHMTQVOIR-BDAKNGLRSA-N 1 0 218.322 0.210 10 0 BCAERO CCCNC(=O)N1CC2(C1)C[NH2+]CC2(F)F ZINC000685949639 538892903 /nfs/dbraw/zinc/89/29/03/538892903.db2.gz VUSMYYYTSQQSON-UHFFFAOYSA-N 1 0 233.262 0.647 10 0 BCAERO FC(F)(F)CN1C(=S)N=NC1C1C[NH2+]C1 ZINC000685950082 538893584 /nfs/dbraw/zinc/89/35/84/538893584.db2.gz MSRDVJSWOSSMPC-UHFFFAOYSA-N 1 0 238.238 0.816 10 0 BCAERO CC(C)[C@H](C)NC(=O)N1CC[C@](O)(C[NH3+])C1 ZINC000685950429 538893938 /nfs/dbraw/zinc/89/39/38/538893938.db2.gz POKFAHDKKUFLMQ-ONGXEEELSA-N 1 0 229.324 0.136 10 0 BCAERO CC(C)[C@H](C)NC(=O)NC[C@@]1(O)CC[NH2+]C1 ZINC000685950704 538894057 /nfs/dbraw/zinc/89/40/57/538894057.db2.gz WFGCYWGEMRXXMH-GXSJLCMTSA-N 1 0 229.324 0.055 10 0 BCAERO CO[C@H](C)[C@H](C)NC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000190704989 357725185 /nfs/dbraw/zinc/72/51/85/357725185.db2.gz HUKIUHJMNHSLCQ-HBNTYKKESA-N 1 0 243.351 0.755 10 0 BCAERO NC(=O)c1cc(O[C@@H]2CCC[NH2+]C2)ccn1 ZINC000051872527 181292308 /nfs/dbraw/zinc/29/23/08/181292308.db2.gz GXKPFFYHCIVFLM-SECBINFHSA-N 1 0 221.260 0.311 10 0 BCAERO CC[C@H](C)CC(=O)NC[C@H]1CN(C)CCO1 ZINC000190747015 357729868 /nfs/dbraw/zinc/72/98/68/357729868.db2.gz IHJIAYLIZMNJDS-QWRGUYRKSA-N 1 0 228.336 0.869 10 0 BCAERO CCc1nnc(CN2CC[C@@]3(CC[NH2+]C3)C2)n1C ZINC000583263854 357740612 /nfs/dbraw/zinc/74/06/12/357740612.db2.gz WIYKCGJMXMVJKZ-CYBMUJFWSA-N 1 0 249.362 0.563 10 0 BCAERO COC[C@H](C)OC[C@@H](O)CN1CCOC[C@@H]1C ZINC000234715697 357827268 /nfs/dbraw/zinc/82/72/68/357827268.db2.gz BLGNZBZVXSQXKP-SRVKXCTJSA-N 1 0 247.335 0.120 10 0 BCAERO CC(C)CC(=O)N1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC000404079657 357880520 /nfs/dbraw/zinc/88/05/20/357880520.db2.gz RXTLBBPDUKHYEQ-MNOVXSKESA-N 1 0 226.320 0.622 10 0 BCAERO C[C@H]1CN(C(=O)CCn2cccn2)C[C@H]1[NH3+] ZINC000235657261 357927344 /nfs/dbraw/zinc/92/73/44/357927344.db2.gz AYYZNEAINYUOTD-VHSXEESVSA-N 1 0 222.292 0.079 10 0 BCAERO C[C@H]1CN(C(=O)c2cnn3ccccc23)C[C@H]1[NH3+] ZINC000235685061 357928205 /nfs/dbraw/zinc/92/82/05/357928205.db2.gz JJYPLUZCDCDWCW-GXSJLCMTSA-N 1 0 244.298 0.754 10 0 BCAERO CCc1nnc(CN2CC[C@H]3[NH2+]CC[C@@H]3C2)n1C ZINC000583753549 357935043 /nfs/dbraw/zinc/93/50/43/357935043.db2.gz RSLABSZYGUTQGA-GHMZBOCLSA-N 1 0 249.362 0.561 10 0 BCAERO CNC(=O)CCC[N@@H+]1CC[C@@H](O)C[C@H]1C ZINC000639938536 357944636 /nfs/dbraw/zinc/94/46/36/357944636.db2.gz CAOZTBVBDDDBQZ-NXEZZACHSA-N 1 0 214.309 0.358 10 0 BCAERO COC[C@@H](C[N@@H+]1CC[C@@H](O)C[C@H]1C)OC ZINC000639939138 357946584 /nfs/dbraw/zinc/94/65/84/357946584.db2.gz VZTUUPJIGLYRDX-GMTAPVOTSA-N 1 0 217.309 0.493 10 0 BCAERO C[C@@H]1C[C@H](O)CC[N@@H+]1CC(=O)NC1CCCC1 ZINC000639941503 357953201 /nfs/dbraw/zinc/95/32/01/357953201.db2.gz ZQEVGQYOAAHRPG-ZYHUDNBSSA-N 1 0 240.347 0.890 10 0 BCAERO C[NH2+][C@H](C)C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000219941700 358011165 /nfs/dbraw/zinc/01/11/65/358011165.db2.gz LMKMHXWCPXBZFL-DTWKUNHWSA-N 1 0 213.325 0.193 10 0 BCAERO CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)COC)C1 ZINC000170893564 134254480 /nfs/dbraw/zinc/25/44/80/134254480.db2.gz MFUSCKQBGPZZRB-QWRGUYRKSA-N 1 0 228.336 0.869 10 0 BCAERO C[NH2+][C@H](C)C(=O)NCC[C@@H]1CCCCO1 ZINC000224053427 358230965 /nfs/dbraw/zinc/23/09/65/358230965.db2.gz BKAYUWBOALSBDQ-ZJUUUORDSA-N 1 0 214.309 0.670 10 0 BCAERO NC(=O)c1ccc(COC[C@@H]2CC[NH2+]C2)cc1 ZINC000051888366 181295989 /nfs/dbraw/zinc/29/59/89/181295989.db2.gz OHEDZVNMVHYTLB-LLVKDONJSA-N 1 0 234.299 0.912 10 0 BCAERO CCCc1nc(C(N)=[NH2+])cn2ncnc12 ZINC000584612645 358276312 /nfs/dbraw/zinc/27/63/12/358276312.db2.gz RUNNAOUAZLUCKZ-UHFFFAOYSA-N 1 0 204.237 0.361 10 0 BCAERO CCOCCO[C@@H]1C[C@H](C[NH+](C)C)C[C@H]1CO ZINC000584603283 358261835 /nfs/dbraw/zinc/26/18/35/358261835.db2.gz PZQVZOIIYHQBIL-FRRDWIJNSA-N 1 0 245.363 0.988 10 0 BCAERO CC12C[N@H+]3C[C@@](C)(C[C@@](C)(C3)[C@@H]1O)[C@@H]2O ZINC000584630674 358300026 /nfs/dbraw/zinc/30/00/26/358300026.db2.gz UQEMGBDDIHBGNV-HJWVFBQESA-N 1 0 211.305 0.460 10 0 BCAERO COc1ccccc1CCN(O)C(N)=[NH2+] ZINC000584645149 358330255 /nfs/dbraw/zinc/33/02/55/358330255.db2.gz QSLHJTOWPFFSRC-UHFFFAOYSA-N 1 0 209.249 0.822 10 0 BCAERO Cn1nc(Br)cc1N1CC[NH2+]CC1 ZINC000584646214 358331177 /nfs/dbraw/zinc/33/11/77/358331177.db2.gz QRWBJLNRGDZXKM-UHFFFAOYSA-N 1 0 245.124 0.592 10 0 BCAERO COC(=O)C[C@@H]1CCC2(CC[NH2+]CC2)O1 ZINC000584643036 358327693 /nfs/dbraw/zinc/32/76/93/358327693.db2.gz GNWSHRLXNDEOBN-VIFPVBQESA-N 1 0 213.277 0.851 10 0 BCAERO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1O)C(=O)N(C)C ZINC000226227357 358335550 /nfs/dbraw/zinc/33/55/50/358335550.db2.gz XHTSEVQZCBOPFN-OPRDCNLKSA-N 1 0 214.309 0.356 10 0 BCAERO CO[C@H]1C[NH2+][C@@H](C(=O)N[C@@H](C)CC(C)C)C1 ZINC000226687958 358342444 /nfs/dbraw/zinc/34/24/44/358342444.db2.gz ZXGGWQKFKRXZNA-HBNTYKKESA-N 1 0 228.336 0.914 10 0 BCAERO CC(C)[C@@H](CO)[NH2+][C@@H]1CCCC[C@H]1O ZINC000086124818 358344192 /nfs/dbraw/zinc/34/41/92/358344192.db2.gz RCPDIVGPPIOBDL-GMTAPVOTSA-N 1 0 201.310 0.896 10 0 BCAERO C[C@H]1[NH2+]CCC[C@H]1C(=O)NC(C)(C)CC(N)=O ZINC000227069134 358347981 /nfs/dbraw/zinc/34/79/81/358347981.db2.gz ZGDRWEIIXQJNEZ-RKDXNWHRSA-N 1 0 241.335 0.145 10 0 BCAERO C[NH2+][C@H](C)C(=O)NC[C@H](O)CC(C)(C)C ZINC000226113480 358334731 /nfs/dbraw/zinc/33/47/31/358334731.db2.gz PAZXEMCOXNSSJC-RKDXNWHRSA-N 1 0 216.325 0.508 10 0 BCAERO C[C@H]([NH3+])C[C@H](C)Nc1ncnc2c1cnn2C ZINC000228267699 358372221 /nfs/dbraw/zinc/37/22/21/358372221.db2.gz CMSOSPXOCDXAHP-YUMQZZPRSA-N 1 0 234.307 0.901 10 0 BCAERO Cc1ccnc(NCC(=O)N2CC[NH2+]CC2)c1 ZINC000043561756 358381845 /nfs/dbraw/zinc/38/18/45/358381845.db2.gz UZSAMSBZSVHWPD-UHFFFAOYSA-N 1 0 234.303 0.234 10 0 BCAERO C[C@@H]([NH3+])C[C@H](C)Nc1ncnc2c1cnn2C ZINC000228267691 358372457 /nfs/dbraw/zinc/37/24/57/358372457.db2.gz CMSOSPXOCDXAHP-SFYZADRCSA-N 1 0 234.307 0.901 10 0 BCAERO CCCCOC[C@H](O)C[NH2+][C@H](C)C(=O)N(C)C ZINC000227890225 358365098 /nfs/dbraw/zinc/36/50/98/358365098.db2.gz VTICUNGFQOPGLC-GHMZBOCLSA-N 1 0 246.351 0.230 10 0 BCAERO CCCCOC[C@@H](O)C[NH2+]Cc1ccnn1C ZINC000227892579 358365147 /nfs/dbraw/zinc/36/51/47/358365147.db2.gz ZKJREEACELHGAX-LBPRGKRZSA-N 1 0 241.335 0.687 10 0 BCAERO CCCCOC[C@@H](O)C[NH2+]C[C@H]1COCCO1 ZINC000227889655 358365519 /nfs/dbraw/zinc/36/55/19/358365519.db2.gz PEQSYHBHYRDBQO-RYUDHWBXSA-N 1 0 247.335 0.169 10 0 BCAERO CCCCOC[C@H](O)C[NH2+]Cc1cccnn1 ZINC000227897856 358366021 /nfs/dbraw/zinc/36/60/21/358366021.db2.gz ZVTBDBJCGZNJQV-GFCCVEGCSA-N 1 0 239.319 0.744 10 0 BCAERO CCCCOC[C@H](O)C[NH2+][C@H]1C[C@@H](O)C1(C)C ZINC000227897452 358366150 /nfs/dbraw/zinc/36/61/50/358366150.db2.gz NLOADHSHCNFOSA-GRYCIOLGSA-N 1 0 245.363 0.913 10 0 BCAERO CCCCOC[C@H](O)C[NH2+][C@@H](C)CN(C)C ZINC000227895328 358366164 /nfs/dbraw/zinc/36/61/64/358366164.db2.gz XHAARWNOZMQEBZ-NWDGAFQWSA-N 1 0 232.368 0.704 10 0 BCAERO C[C@H](NC(=O)[C@@H]1C[NH2+]C[C@H]1C)c1cn[nH]c1 ZINC000229704378 358406867 /nfs/dbraw/zinc/40/68/67/358406867.db2.gz PWCLVJGRADKMNC-KHQFGBGNSA-N 1 0 222.292 0.442 10 0 BCAERO O=C(NCC(F)(F)C(F)F)[C@H]1CC[NH2+]C1 ZINC000230691755 358409672 /nfs/dbraw/zinc/40/96/72/358409672.db2.gz SSRCXVCFGOSFBN-YFKPBYRVSA-N 1 0 228.189 0.613 10 0 BCAERO FC(F)(F)c1nsc(NC2C[NH2+]C2)n1 ZINC000228791027 358385356 /nfs/dbraw/zinc/38/53/56/358385356.db2.gz QENSPBPOMSIJBA-UHFFFAOYSA-N 1 0 224.211 0.941 10 0 BCAERO NC(=O)c1ccc(N2CCC[NH2+]CC2)cc1 ZINC000019867201 181297949 /nfs/dbraw/zinc/29/79/49/181297949.db2.gz APVCDRFWPBKNNK-UHFFFAOYSA-N 1 0 219.288 0.585 10 0 BCAERO CC(C)[C@H](CCO)NC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000231080802 358414585 /nfs/dbraw/zinc/41/45/85/358414585.db2.gz TTWGGJJABUYCBB-RYUDHWBXSA-N 1 0 242.363 0.899 10 0 BCAERO [NH3+]CC1(C(=O)N[C@H]2CCSC2)CCOCC1 ZINC000231353148 358416809 /nfs/dbraw/zinc/41/68/09/358416809.db2.gz MZCBNVNOLNDTQD-VIFPVBQESA-N 1 0 244.360 0.364 10 0 BCAERO C[NH2+][C@H](C)C(=O)N1CC[C@@H](C)[C@H](OC)C1 ZINC000299904351 358421299 /nfs/dbraw/zinc/42/12/99/358421299.db2.gz FENMNCWGHBEDSC-OPRDCNLKSA-N 1 0 214.309 0.478 10 0 BCAERO CCN1CC[NH+](C[C@H]2CCCC2=O)CC1 ZINC000053924858 358581149 /nfs/dbraw/zinc/58/11/49/358581149.db2.gz NZROUHGWPUEFRW-LLVKDONJSA-N 1 0 210.321 0.993 10 0 BCAERO CC[C@@H](O)CC[NH2+]Cc1c(C)nn(C)c1OC ZINC000127365121 358561428 /nfs/dbraw/zinc/56/14/28/358561428.db2.gz SEDDPRBGMLWLMJ-SNVBAGLBSA-N 1 0 241.335 0.988 10 0 BCAERO O[C@@H]1COCC[C@@H]1[NH2+][C@H]1CO[C@H](C2CC2)C1 ZINC000628467882 358580238 /nfs/dbraw/zinc/58/02/38/358580238.db2.gz FNHFBMTWNWOCCN-KXNHARMFSA-N 1 0 227.304 0.293 10 0 BCAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC ZINC000174610797 134282894 /nfs/dbraw/zinc/28/28/94/134282894.db2.gz XBHALYOBCWVPGX-NXEZZACHSA-N 1 0 211.309 0.884 10 0 BCAERO CC[C@@H](CN)[N@@H+]1CCC[C@](C)(O)CC1 ZINC000300237450 358589648 /nfs/dbraw/zinc/58/96/48/358589648.db2.gz BCIWFAFNWBJPQZ-QWRGUYRKSA-N 1 0 200.326 0.961 10 0 BCAERO NC(=S)[C@H]1CCC[N@@H+]1[C@H]1CCCOC1 ZINC000300232158 358590484 /nfs/dbraw/zinc/59/04/84/358590484.db2.gz KBMKEWRHWCNADU-DTWKUNHWSA-N 1 0 214.334 0.916 10 0 BCAERO O=C(c1cnsn1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000049516046 358693325 /nfs/dbraw/zinc/69/33/25/358693325.db2.gz YUAHCVJGEHLNNZ-MRVPVSSYSA-N 1 0 238.316 0.458 10 0 BCAERO CC(C)[C@@H]([NH3+])CCN(C)c1nccn(C)c1=O ZINC000133602866 358760992 /nfs/dbraw/zinc/76/09/92/358760992.db2.gz PXDAUSTUZUFPPZ-JTQLQIEISA-N 1 0 238.335 0.590 10 0 BCAERO CC(C)CNC(=O)[C@H](C)[NH2+][C@@H]1CCO[C@H]1C ZINC000134543339 358794660 /nfs/dbraw/zinc/79/46/60/358794660.db2.gz JHAAMIHBLWWBNN-GARJFASQSA-N 1 0 228.336 0.914 10 0 BCAERO CCNC(=O)CN1C[C@H]2CCC[N@@H+]2C[C@H]1CC ZINC000136077088 358861870 /nfs/dbraw/zinc/86/18/70/358861870.db2.gz CVKXFNZQACDRRM-VXGBXAGGSA-N 1 0 239.363 0.681 10 0 BCAERO Cc1nsc([C@@]2(C[NH3+])CCCOC2)n1 ZINC000306152427 358916050 /nfs/dbraw/zinc/91/60/50/358916050.db2.gz ALJIFCDJKWHSKC-SECBINFHSA-N 1 0 213.306 0.853 10 0 BCAERO c1nsc(N2CC[C@H]3CC[C@@H](C2)[NH2+]3)n1 ZINC000169108842 358917981 /nfs/dbraw/zinc/91/79/81/358917981.db2.gz QXERZRLXNCZBTA-SFYZADRCSA-N 1 0 210.306 0.869 10 0 BCAERO CC[C@@H]1C[N@H+](C)CCCN1C(N)=S ZINC000300356924 358970703 /nfs/dbraw/zinc/97/07/03/358970703.db2.gz RSMOXHOIOMEYFE-MRVPVSSYSA-N 1 0 201.339 0.646 10 0 BCAERO Cc1nc(C)n(C[C@H]2CCC[N@H+](CCO)C2)n1 ZINC000177712286 134301562 /nfs/dbraw/zinc/30/15/62/134301562.db2.gz KFDBRNOOPYPXRI-LBPRGKRZSA-N 1 0 238.335 0.599 10 0 BCAERO CC[C@@H](NC(=O)[C@H]1CNC(=O)C1)c1ncc[nH]1 ZINC000141582041 358932070 /nfs/dbraw/zinc/93/20/70/358932070.db2.gz QCIRYKHJLFPHIL-HTQZYQBOSA-N 1 0 236.275 0.113 10 0 BCAERO C[C@@H]([NH3+])CNC(=O)c1c[nH]c(Br)c1 ZINC000306154412 358940454 /nfs/dbraw/zinc/94/04/54/358940454.db2.gz BOZVRQBIVFDVOY-RXMQYKEDSA-N 1 0 246.108 0.854 10 0 BCAERO C[C@@H]([NH3+])C(=O)Nn1cc(Br)cn1 ZINC000306157505 358949341 /nfs/dbraw/zinc/94/93/41/358949341.db2.gz CCCHOJVVOSDYMS-SCSAIBSYSA-N 1 0 233.069 0.063 10 0 BCAERO O=C1CCOC[C@@H]1C[N@H+]1CCC[C@H](O)C1 ZINC000299965861 358958129 /nfs/dbraw/zinc/95/81/29/358958129.db2.gz CTNDAFWCDWJUBA-UWVGGRQHSA-N 1 0 213.277 0.049 10 0 BCAERO COC(=O)[C@H](C)[N@@H+]1CC[C@H](O)C1(C)C ZINC000306199961 359026993 /nfs/dbraw/zinc/02/69/93/359026993.db2.gz SHJQFEMXNUIGEP-YUMQZZPRSA-N 1 0 201.266 0.393 10 0 BCAERO COC(=O)[C@H](C)[N@@H+]1CC[C@@H](O)C1(C)C ZINC000306199952 359027553 /nfs/dbraw/zinc/02/75/53/359027553.db2.gz SHJQFEMXNUIGEP-JGVFFNPUSA-N 1 0 201.266 0.393 10 0 BCAERO C[C@H]1C[C@H]1[C@@H]1C[S@](=O)C[C@H](C)C[NH2+]1 ZINC000306172050 358981006 /nfs/dbraw/zinc/98/10/06/358981006.db2.gz IHHKTGDAVLSIQR-WPYQSKQHSA-N 1 0 201.335 0.999 10 0 BCAERO [NH3+]C[C@@H]1C[C@H](F)CN1C(=O)C(F)(F)F ZINC000306179024 358991231 /nfs/dbraw/zinc/99/12/31/358991231.db2.gz QLIBZOLHVPRZFZ-WHFBIAKZSA-N 1 0 214.162 0.446 10 0 BCAERO [NH3+]C1CN(Cc2ncccc2Br)C1 ZINC000306188011 359004177 /nfs/dbraw/zinc/00/41/77/359004177.db2.gz BRWWSVCNMOFUDD-UHFFFAOYSA-N 1 0 242.120 0.987 10 0 BCAERO NC(=O)c1ccc(NCC[C@@H]2CCC[NH2+]C2)nc1 ZINC000110793074 181299822 /nfs/dbraw/zinc/29/98/22/181299822.db2.gz JVBGRMQSWHUNOF-JTQLQIEISA-N 1 0 248.330 0.982 10 0 BCAERO CC(C)[C@@H]([NH3+])CNc1ncnc2c1cnn2C ZINC000070447785 359056567 /nfs/dbraw/zinc/05/65/67/359056567.db2.gz MEFKFVIIUMUPDR-VIFPVBQESA-N 1 0 234.307 0.759 10 0 BCAERO CC(C)[C@@H]([NH3+])CNc1nccn2cnnc12 ZINC000070616683 359060405 /nfs/dbraw/zinc/06/04/05/359060405.db2.gz JLFZXLRFVZPQHC-QMMMGPOBSA-N 1 0 220.280 0.520 10 0 BCAERO CC(C)[C@H]([NH3+])CNc1nccn2cnnc12 ZINC000070616682 359060718 /nfs/dbraw/zinc/06/07/18/359060718.db2.gz JLFZXLRFVZPQHC-MRVPVSSYSA-N 1 0 220.280 0.520 10 0 BCAERO Cc1nccn1C[C@@H]1CCC[N@H+]1[C@H](C)C(N)=O ZINC000246975438 359178392 /nfs/dbraw/zinc/17/83/92/359178392.db2.gz JKKAESDHJJFTBK-KOLCDFICSA-N 1 0 236.319 0.530 10 0 BCAERO CC(C)OC[C@H](O)CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000247057566 359191822 /nfs/dbraw/zinc/19/18/22/359191822.db2.gz FQPNOVQOZOGQJJ-QWHCGFSZSA-N 1 0 242.363 0.552 10 0 BCAERO C[C@H](O)C[N@@H+]1CCN(C[C@H]2CCCO2)C[C@@H]1C ZINC000247090176 359193791 /nfs/dbraw/zinc/19/37/91/359193791.db2.gz HMJCMAXZQQFELG-RWMBFGLXSA-N 1 0 242.363 0.552 10 0 BCAERO C[C@@H]1C[C@H]1C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000246802294 359166346 /nfs/dbraw/zinc/16/63/46/359166346.db2.gz AZQUPNYDZUBORN-OUAUKWLOSA-N 1 0 226.320 0.431 10 0 BCAERO COC[C@H](C)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000247577387 359236503 /nfs/dbraw/zinc/23/65/03/359236503.db2.gz SJWAAYLRSPAPHN-QWRGUYRKSA-N 1 0 216.325 0.284 10 0 BCAERO CC[C@H](O)C[N@@H+]1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000247770952 359244126 /nfs/dbraw/zinc/24/41/26/359244126.db2.gz PCFJMVSMUONIBW-SRVKXCTJSA-N 1 0 230.352 0.144 10 0 BCAERO CC[C@H](O)C[N@@H+]1CCN(C[C@@H](C)O)[C@@H](C)C1 ZINC000247770953 359244322 /nfs/dbraw/zinc/24/43/22/359244322.db2.gz PCFJMVSMUONIBW-TUAOUCFPSA-N 1 0 230.352 0.144 10 0 BCAERO C[C@H](O)C[N@@H+]1CCN(CCCF)C[C@H]1C ZINC000248131174 359255281 /nfs/dbraw/zinc/25/52/81/359255281.db2.gz OMGSUWGMEVWLAA-MNOVXSKESA-N 1 0 218.316 0.733 10 0 BCAERO CCNC(=O)CCN1CC[N@@H+]2CCC[C@H]2C1 ZINC000247196664 359200413 /nfs/dbraw/zinc/20/04/13/359200413.db2.gz OPAXROQESXVBHO-NSHDSACASA-N 1 0 225.336 0.293 10 0 BCAERO COCC[N@@H+]1CCN([C@H](C)C(=O)OC)C[C@@H]1C ZINC000247212757 359202120 /nfs/dbraw/zinc/20/21/20/359202120.db2.gz PUYBCSZKSLDFGO-WDEREUQCSA-N 1 0 244.335 0.200 10 0 BCAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CN(C)C ZINC000247111959 359214624 /nfs/dbraw/zinc/21/46/24/359214624.db2.gz ISUMYGRNWRFHAU-MNOVXSKESA-N 1 0 225.336 0.243 10 0 BCAERO COCC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000247379586 359216664 /nfs/dbraw/zinc/21/66/64/359216664.db2.gz PQXMMIBTVOSVGE-VHSXEESVSA-N 1 0 214.309 0.478 10 0 BCAERO CCOCCN1CC[N@H+](C[C@H](C)O)[C@@H](CC)C1 ZINC000247385067 359218266 /nfs/dbraw/zinc/21/82/66/359218266.db2.gz WIPFXMHFWCOTQC-STQMWFEESA-N 1 0 244.379 0.800 10 0 BCAERO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)C(F)F ZINC000306201148 359290279 /nfs/dbraw/zinc/29/02/79/359290279.db2.gz KKHYISODABXDAD-QYNIQEEDSA-N 1 0 206.236 0.754 10 0 BCAERO [NH2+]=C(NCc1ccccc1)N1CCNC(=O)C1 ZINC000306212793 359308334 /nfs/dbraw/zinc/30/83/34/359308334.db2.gz SDTQNZMLHLQNQB-UHFFFAOYSA-N 1 0 232.287 0.143 10 0 BCAERO CC(C)COCCN1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC000404225193 359310129 /nfs/dbraw/zinc/31/01/29/359310129.db2.gz NEHKTQVFCHSXLK-STQMWFEESA-N 1 0 242.363 0.722 10 0 BCAERO CCN(C)C(=O)N1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC000404241970 359371512 /nfs/dbraw/zinc/37/15/12/359371512.db2.gz XTADXYQDVGQPFK-ZJUUUORDSA-N 1 0 227.308 0.121 10 0 BCAERO CCOC(=O)CC[C@@H](O)C[NH2+]CC1CC(O)C1 ZINC000385613625 359331872 /nfs/dbraw/zinc/33/18/72/359331872.db2.gz CIDLXEMDUATQSS-HSOILSAZSA-N 1 0 245.319 0.051 10 0 BCAERO O[C@H]1COCC[C@@H]1[NH2+]Cc1cn2ccccc2n1 ZINC000623764326 359340891 /nfs/dbraw/zinc/34/08/91/359340891.db2.gz CCAAMTAYWBAMPE-RYUDHWBXSA-N 1 0 247.298 0.574 10 0 BCAERO O=C(NC1C[NH2+]C1)c1scnc1Cl ZINC000306223659 359348513 /nfs/dbraw/zinc/34/85/13/359348513.db2.gz SLTBPVUQXCOKGJ-UHFFFAOYSA-N 1 0 217.681 0.498 10 0 BCAERO Cc1cccnc1CN1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC000404279405 359414525 /nfs/dbraw/zinc/41/45/25/359414525.db2.gz UODFJKDCQQMPAT-KBPBESRZSA-N 1 0 247.342 0.953 10 0 BCAERO COC(=O)[C@@H]1CCCC[N@@H+]1C[C@@H](C)CO ZINC000228196954 359417925 /nfs/dbraw/zinc/41/79/25/359417925.db2.gz GJORSIIMAGZHOD-ZJUUUORDSA-N 1 0 215.293 0.642 10 0 BCAERO CNC(=O)[C@H]([NH2+][C@@H](C)[C@@H](C)OC)C(C)C ZINC000308924053 491140351 /nfs/dbraw/zinc/14/03/51/491140351.db2.gz HSVWUVJBSQSIQJ-IVZWLZJFSA-N 1 0 216.325 0.770 10 0 BCAERO OCCN1CCC([NH2+]CC2(F)CC2)CC1 ZINC000308915506 491140132 /nfs/dbraw/zinc/14/01/32/491140132.db2.gz HDTWBNYNNGUTSO-UHFFFAOYSA-N 1 0 216.300 0.535 10 0 BCAERO CN1CC[C@H]([NH2+]C[C@]2(O)CCSC2)C1 ZINC000306237667 359398467 /nfs/dbraw/zinc/39/84/67/359398467.db2.gz IJCXQTIOKXXZBP-VHSXEESVSA-N 1 0 216.350 0.148 10 0 BCAERO CN1CC[C@H]([NH2+]C[C@@]2(O)CCSC2)C1 ZINC000306237664 359398534 /nfs/dbraw/zinc/39/85/34/359398534.db2.gz IJCXQTIOKXXZBP-UWVGGRQHSA-N 1 0 216.350 0.148 10 0 BCAERO [NH3+]CC(=O)Nc1nnc(C(F)F)s1 ZINC000306239626 359407620 /nfs/dbraw/zinc/40/76/20/359407620.db2.gz SDSCFUJCPXAGES-UHFFFAOYSA-N 1 0 208.193 0.373 10 0 BCAERO C[C@H]1OCC[C@@H]1[NH2+]CC1(C)OCCO1 ZINC000306248887 359445400 /nfs/dbraw/zinc/44/54/00/359445400.db2.gz QTMIADKUWOUFFJ-BDAKNGLRSA-N 1 0 201.266 0.516 10 0 BCAERO Cn1nnc(Br)c1[C@@H]1C[C@H]1[NH3+] ZINC000306280955 359512209 /nfs/dbraw/zinc/51/22/09/359512209.db2.gz UXSHNSVEMYACEH-QWWZWVQMSA-N 1 0 217.070 0.392 10 0 BCAERO Cn1nnc(Br)c1[C@@H]1C[C@@H]1[NH3+] ZINC000306280952 359512396 /nfs/dbraw/zinc/51/23/96/359512396.db2.gz UXSHNSVEMYACEH-DMTCNVIQSA-N 1 0 217.070 0.392 10 0 BCAERO [NH3+][C@@H]1COC[C@H]1NC(=O)NCc1ccccc1 ZINC000306308108 359589417 /nfs/dbraw/zinc/58/94/17/359589417.db2.gz RPTIKECKWYKQNK-GHMZBOCLSA-N 1 0 235.287 0.212 10 0 BCAERO CN[C@]1(C(=O)OC)CC[N@@H+]2CCCC[C@H]21 ZINC000228259561 359592272 /nfs/dbraw/zinc/59/22/72/359592272.db2.gz DTMJTQKCBVEESA-GXSJLCMTSA-N 1 0 212.293 0.376 10 0 BCAERO Cc1ccc(CN[C@@H]2C[NH2+]C[C@H]2O)s1 ZINC000306329397 359610816 /nfs/dbraw/zinc/61/08/16/359610816.db2.gz ZIYBJWQRRPMPLY-NXEZZACHSA-N 1 0 212.318 0.479 10 0 BCAERO O[C@@H]1COCC[C@@H]1[NH2+]Cc1[nH]nc2ccccc21 ZINC000623765152 359642351 /nfs/dbraw/zinc/64/23/51/359642351.db2.gz OLZPFUCBEKALFQ-WCQYABFASA-N 1 0 247.298 0.802 10 0 BCAERO C[C@@H]1CC[NH2+][C@H]1C(=O)N=S(C)(C)=O ZINC000306349011 359670036 /nfs/dbraw/zinc/67/00/36/359670036.db2.gz KCWIYPBZCDNBEF-RNFRBKRXSA-N 1 0 204.295 0.239 10 0 BCAERO CCN1C[C@@H](C)[C@H]([NH2+]Cc2cn[nH]c2)C1 ZINC000309057290 491143520 /nfs/dbraw/zinc/14/35/20/491143520.db2.gz UZKKMXLYKJIESQ-MWLCHTKSSA-N 1 0 208.309 0.840 10 0 BCAERO C1COC2(CCN([C@H]3CCC[NH2+]C3)C2)O1 ZINC000306359825 359686591 /nfs/dbraw/zinc/68/65/91/359686591.db2.gz CJECJXFYYJPSEE-JTQLQIEISA-N 1 0 212.293 0.187 10 0 BCAERO C1COC2(CCN([C@@H]3CCC[NH2+]C3)C2)O1 ZINC000306359827 359686725 /nfs/dbraw/zinc/68/67/25/359686725.db2.gz CJECJXFYYJPSEE-SNVBAGLBSA-N 1 0 212.293 0.187 10 0 BCAERO Cn1nnc(Br)c1[C@H]1C=CC[NH2+]1 ZINC000306362606 359696788 /nfs/dbraw/zinc/69/67/88/359696788.db2.gz UDTLTECCUKZVSK-RXMQYKEDSA-N 1 0 229.081 0.778 10 0 BCAERO Cn1ncc(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])n1 ZINC000306392163 359758031 /nfs/dbraw/zinc/75/80/31/359758031.db2.gz GWLPOKXBASZPOU-HTQZYQBOSA-N 1 0 208.265 0.373 10 0 BCAERO CNC(=S)N1C[C@@H](C)[C@H]([NH+](C)C)C1 ZINC000130398962 359747159 /nfs/dbraw/zinc/74/71/59/359747159.db2.gz GYEMUEUOSYCXOU-HTQZYQBOSA-N 1 0 201.339 0.373 10 0 BCAERO CS(C)(=O)=NC(=O)[C@@H]1CCC[C@H]1[NH3+] ZINC000306402719 359784445 /nfs/dbraw/zinc/78/44/45/359784445.db2.gz RHICUOVRKNAUMH-RNFRBKRXSA-N 1 0 204.295 0.368 10 0 BCAERO [NH3+][C@H]1C[C@@H]1NC(=O)c1scnc1Cl ZINC000306407082 359795435 /nfs/dbraw/zinc/79/54/35/359795435.db2.gz XHJBGFJQXFHOCP-IMJSIDKUSA-N 1 0 217.681 0.626 10 0 BCAERO [NH2+]=C(NCc1ccccc1)NC1COCCOC1 ZINC000306410221 359795560 /nfs/dbraw/zinc/79/55/60/359795560.db2.gz QPEDQVZIIPHEPW-UHFFFAOYSA-N 1 0 249.314 0.716 10 0 BCAERO O=C1NCC[C@H]1[NH2+][C@@H]1CCC(F)(F)C1 ZINC000306425274 359872008 /nfs/dbraw/zinc/87/20/08/359872008.db2.gz GWNRKBCHQBQYIS-RNFRBKRXSA-N 1 0 204.220 0.652 10 0 BCAERO CC(C)n1nnnc1CN(C)C1CC([NH3+])C1 ZINC000578652529 366620582 /nfs/dbraw/zinc/62/05/82/366620582.db2.gz CAZKLFKDOMUHLY-UHFFFAOYSA-N 1 0 224.312 0.176 10 0 BCAERO C[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1[NH2+]CCF ZINC000309160229 491145738 /nfs/dbraw/zinc/14/57/38/491145738.db2.gz YQWDGLHMRHVUAX-BDAKNGLRSA-N 1 0 238.328 0.216 10 0 BCAERO Cc1nc(C[NH2+][C@@H]2CCC(=O)N[C@@H]2C)[nH]c1C ZINC000578787484 366650408 /nfs/dbraw/zinc/65/04/08/366650408.db2.gz QPIQXRYDKLNWIH-NXEZZACHSA-N 1 0 236.319 0.783 10 0 BCAERO CCCC[C@H](COC)[NH2+][C@@H]1CCNC1=O ZINC000309212515 491146450 /nfs/dbraw/zinc/14/64/50/491146450.db2.gz SYZGABZGGNXEFQ-NXEZZACHSA-N 1 0 214.309 0.670 10 0 BCAERO CC(F)(F)CC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000306446071 360008859 /nfs/dbraw/zinc/00/88/59/360008859.db2.gz UMMCMCNIQFVTPJ-QMMMGPOBSA-N 1 0 206.236 0.900 10 0 BCAERO C[C@H]1SCC[C@H]1[NH2+][C@@H]1COC[C@H]1O ZINC000306454404 360041402 /nfs/dbraw/zinc/04/14/02/360041402.db2.gz PLUBRMJAZJIBMJ-FNCVBFRFSA-N 1 0 203.307 0.230 10 0 BCAERO C[C@@H]1SCC[C@H]1[NH2+][C@@H]1COC[C@H]1O ZINC000306454405 360041656 /nfs/dbraw/zinc/04/16/56/360041656.db2.gz PLUBRMJAZJIBMJ-JQCXWYLXSA-N 1 0 203.307 0.230 10 0 BCAERO C[C@H]1CC[C@H](C[NH3+])CN1S(C)(=O)=O ZINC000069728700 360052496 /nfs/dbraw/zinc/05/24/96/360052496.db2.gz XYKSUIFUZCFZQQ-JGVFFNPUSA-N 1 0 206.311 0.005 10 0 BCAERO C[C@@H]1CC[C@H](C[NH3+])CN1S(C)(=O)=O ZINC000069728699 360053034 /nfs/dbraw/zinc/05/30/34/360053034.db2.gz XYKSUIFUZCFZQQ-HTQZYQBOSA-N 1 0 206.311 0.005 10 0 BCAERO C[C@@H]1CN(C(=O)CCCC[NH3+])C[C@@H](C)O1 ZINC000069732593 360108511 /nfs/dbraw/zinc/10/85/11/360108511.db2.gz CWSOONZCBOANKG-NXEZZACHSA-N 1 0 214.309 0.751 10 0 BCAERO O[C@@H]1CCN(C[C@H](F)C(F)(F)F)C1 ZINC000306477047 360110196 /nfs/dbraw/zinc/11/01/96/360110196.db2.gz YVSBHIAQMQABMQ-RITPCOANSA-N 1 0 201.163 0.953 10 0 BCAERO O[C@H]1CCN(C[C@@H](F)C(F)(F)F)C1 ZINC000306477034 360113871 /nfs/dbraw/zinc/11/38/71/360113871.db2.gz YVSBHIAQMQABMQ-NTSWFWBYSA-N 1 0 201.163 0.953 10 0 BCAERO C[C@H]1C[C@H]([NH3+])CN(Cc2cnns2)C1 ZINC000306478670 360126837 /nfs/dbraw/zinc/12/68/37/360126837.db2.gz ZMNQAODPICUGQF-YUMQZZPRSA-N 1 0 212.322 0.707 10 0 BCAERO CC(C)[S@](=O)N[C@H]1CC[C@H]([NH3+])CC1 ZINC000306489012 360190172 /nfs/dbraw/zinc/19/01/72/360190172.db2.gz SOYNMLHAFDDMJI-RVBZMBCESA-N 1 0 204.339 0.918 10 0 BCAERO CC(C)[S@@](=O)N[C@H]1CC[C@H]([NH3+])CC1 ZINC000306489010 360190589 /nfs/dbraw/zinc/19/05/89/360190589.db2.gz SOYNMLHAFDDMJI-JRKPZEMJSA-N 1 0 204.339 0.918 10 0 BCAERO O=[S@]1CCCN(CCC2C[NH2+]C2)CC1 ZINC000306491746 360210097 /nfs/dbraw/zinc/21/00/97/360210097.db2.gz WMQLPVVJUXOLEC-AWEZNQCLSA-N 1 0 216.350 0.050 10 0 BCAERO C[NH2+]C[C@@H](C)N1CCC[S@@](=O)CC1 ZINC000306493354 360211181 /nfs/dbraw/zinc/21/11/81/360211181.db2.gz YZDQAXDZWGNOIY-NOZJJQNGSA-N 1 0 204.339 0.049 10 0 BCAERO Cc1ncsc1[C@H](C)NC(=O)[C@@H](C)[NH3+] ZINC000306498034 360233713 /nfs/dbraw/zinc/23/37/13/360233713.db2.gz SMFXRNLPNWVJBS-VDTYLAMSSA-N 1 0 213.306 0.976 10 0 BCAERO O=C(N1CC[C@@H]2C[NH2+]C[C@H]2C1)C(F)(F)F ZINC000306499685 360251320 /nfs/dbraw/zinc/25/13/20/360251320.db2.gz WLMVBFSRENYOGX-RQJHMYQMSA-N 1 0 222.210 0.617 10 0 BCAERO Cc1c(C[NH2+]C[C@H]2CN(C)CCO2)cnn1C ZINC000093650393 360267438 /nfs/dbraw/zinc/26/74/38/360267438.db2.gz YIIIXTMYNMVSRG-LBPRGKRZSA-N 1 0 238.335 0.149 10 0 BCAERO C[C@H]1[C@@H](N(C)C)CC[N@@H+]1C(C)(C)CO ZINC000306536254 360399713 /nfs/dbraw/zinc/39/97/13/360399713.db2.gz GYPSSDTTXGKRTA-UWVGGRQHSA-N 1 0 200.326 0.782 10 0 BCAERO Cn1ncnc1C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000306531970 360391283 /nfs/dbraw/zinc/39/12/83/360391283.db2.gz BDWOVCMZYQOAOK-QMMMGPOBSA-N 1 0 208.265 0.388 10 0 BCAERO COC1CN([C@H]2C[NH2+]C[C@@H]2SC)C1 ZINC000306533655 360394530 /nfs/dbraw/zinc/39/45/30/360394530.db2.gz NQKSXSOBVLBKSQ-IUCAKERBSA-N 1 0 202.323 0.020 10 0 BCAERO CSc1nnc(CNC(N)=[NH2+])s1 ZINC000306539227 360401491 /nfs/dbraw/zinc/40/14/91/360401491.db2.gz PZHZGJPUSWJSPE-UHFFFAOYSA-N 1 0 203.296 0.243 10 0 BCAERO O=[S@](c1cccs1)[C@@H]1C[NH2+]C[C@H]1O ZINC000306521060 360358682 /nfs/dbraw/zinc/35/86/82/360358682.db2.gz FMYWQUPXUCDFJS-FWXDICJISA-N 1 0 217.315 0.188 10 0 BCAERO CC[C@](C)(O)C[N@@H+]1CCN[C@H](C)[C@H]1C ZINC000306560727 360437856 /nfs/dbraw/zinc/43/78/56/360437856.db2.gz MRRJMYFPPRSTCM-MXWKQRLJSA-N 1 0 200.326 0.830 10 0 BCAERO [NH3+][C@@H]1CCN([C@H]2CCC(F)(F)C2)C1=O ZINC000306561131 360437890 /nfs/dbraw/zinc/43/78/90/360437890.db2.gz MYQGRWIBHVJUTR-NKWVEPMBSA-N 1 0 204.220 0.734 10 0 BCAERO CCOCC[NH2+][C@@H]1CCN(C(C)=O)C[C@@H]1C ZINC000309414966 491148966 /nfs/dbraw/zinc/14/89/66/491148966.db2.gz CLIRWPSEERLZNC-CMPLNLGQSA-N 1 0 228.336 0.869 10 0 BCAERO C[C@@H]1[C@@H](O)CCC[N@@H+]1CC[S@](C)=O ZINC000306564101 360442779 /nfs/dbraw/zinc/44/27/79/360442779.db2.gz DNKNSPIQSFISPA-ZDMBXUJBSA-N 1 0 205.323 0.210 10 0 BCAERO C[C@@H]1CC[N@@H+]([C@H](C[NH3+])C(=O)[O-])CCS1 ZINC000306568750 360449579 /nfs/dbraw/zinc/44/95/79/360449579.db2.gz VINMHLGDGSBRGO-HTQZYQBOSA-N 1 0 218.322 0.226 10 0 BCAERO O=C(C[C@H]1CSCC[NH2+]1)N1CCC1 ZINC000306541337 360410536 /nfs/dbraw/zinc/41/05/36/360410536.db2.gz XKZZSPFJTQYIQI-QMMMGPOBSA-N 1 0 200.307 0.314 10 0 BCAERO C[C@H]1CSC(NCc2cnnn2C)=[NH+]1 ZINC000306548280 360418785 /nfs/dbraw/zinc/41/87/85/360418785.db2.gz CSMJLAJFFAIHQH-LURJTMIESA-N 1 0 211.294 0.396 10 0 BCAERO CC(C)[S@@](=O)N1CC[NH2+][C@@H](C)[C@H]1C ZINC000306560417 360435230 /nfs/dbraw/zinc/43/52/30/360435230.db2.gz MMPSVVKZOWNSBD-IGJMFERPSA-N 1 0 204.339 0.741 10 0 BCAERO CC1(NC(=O)[C@H]2CCSC2)C[NH2+]C1 ZINC000306578766 360468794 /nfs/dbraw/zinc/46/87/94/360468794.db2.gz MMURWBDGPZTXFT-ZETCQYMHSA-N 1 0 200.307 0.218 10 0 BCAERO C[C@@H]1[C@H]([NH3+])CCN1S(=O)(=O)C(C)(C)C ZINC000306583058 360482525 /nfs/dbraw/zinc/48/25/25/360482525.db2.gz DVSINFXGLCLZOA-HTQZYQBOSA-N 1 0 220.338 0.536 10 0 BCAERO C[C@@H]1CCN(CC[S@@](C)=O)C[C@H]1[NH3+] ZINC000306590210 360493264 /nfs/dbraw/zinc/49/32/64/360493264.db2.gz UXQXQTMVBVNAMP-JRKPZEMJSA-N 1 0 204.339 0.034 10 0 BCAERO Cc1nnc(C(=O)[C@]2(C)CC[NH2+]C2)n1C ZINC000306589518 360494386 /nfs/dbraw/zinc/49/43/86/360494386.db2.gz XDHAPVOPHTVBRP-SNVBAGLBSA-N 1 0 208.265 0.306 10 0 BCAERO CC[C@@H]1[C@@H](C[NH3+])CCN1S(C)(=O)=O ZINC000306576695 360466190 /nfs/dbraw/zinc/46/61/90/360466190.db2.gz KOGQFBSNAMZOHN-HTQZYQBOSA-N 1 0 206.311 0.005 10 0 BCAERO CC[C@H]1[C@H](C[NH3+])CCN1S(C)(=O)=O ZINC000306576698 360466272 /nfs/dbraw/zinc/46/62/72/360466272.db2.gz KOGQFBSNAMZOHN-YUMQZZPRSA-N 1 0 206.311 0.005 10 0 BCAERO C[C@H]([NH3+])[C@H](C)NC(=O)[C@H]1CC[C@@H](C)O1 ZINC000306597362 360519996 /nfs/dbraw/zinc/51/99/96/360519996.db2.gz ODCCFSUCBQPDHK-RYPBNFRJSA-N 1 0 200.282 0.406 10 0 BCAERO C[C@@H]([NH3+])[C@@H](C)NC(=O)[C@H]1CC[C@@H](C)O1 ZINC000306597360 360519356 /nfs/dbraw/zinc/51/93/56/360519356.db2.gz ODCCFSUCBQPDHK-FNCVBFRFSA-N 1 0 200.282 0.406 10 0 BCAERO C[C@H]1C[NH2+]C[C@@]12CCCS(=O)(=O)C2 ZINC000306608613 360560839 /nfs/dbraw/zinc/56/08/39/360560839.db2.gz JIULBOGJYJBAPD-DTWKUNHWSA-N 1 0 203.307 0.421 10 0 BCAERO NC(=O)c1cccc(NC2CC[NH2+]CC2)c1 ZINC000038040660 181304805 /nfs/dbraw/zinc/30/48/05/181304805.db2.gz GEGNXYZSAIAFSY-UHFFFAOYSA-N 1 0 219.288 0.949 10 0 BCAERO NC(=O)c1ccnc(NC[C@H]2CCC[NH2+]2)c1 ZINC000053255308 181307500 /nfs/dbraw/zinc/30/75/00/181307500.db2.gz QFZLIWUQQGTJHW-SECBINFHSA-N 1 0 220.276 0.344 10 0 BCAERO NC(=O)c1ccnc(N[C@H]2CCCC[C@H]2[NH3+])c1 ZINC000038050980 181307414 /nfs/dbraw/zinc/30/74/14/181307414.db2.gz KECSPPCXAYDKSL-ZJUUUORDSA-N 1 0 234.303 0.862 10 0 BCAERO NC(=O)c1ccccc1OC[C@H]1CCC[NH2+]1 ZINC000043496300 181306503 /nfs/dbraw/zinc/30/65/03/181306503.db2.gz JBDWZMLAANIKHT-SECBINFHSA-N 1 0 220.272 0.916 10 0 BCAERO O=C1NCC[C@H]1[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000309585020 491151239 /nfs/dbraw/zinc/15/12/39/491151239.db2.gz RVXUVFATQWPEQK-NXEZZACHSA-N 1 0 224.304 0.566 10 0 BCAERO NC(=O)c1c[nH+]ccc1NC[C@H]1CCC[C@H]1O ZINC000302025767 181309613 /nfs/dbraw/zinc/30/96/13/181309613.db2.gz KSUZRALIWHQWEF-LDYMZIIASA-N 1 0 235.287 0.753 10 0 BCAERO COc1ccc([C@H](O)CN2CC[C@@H]([NH3+])C2)cc1 ZINC000169676066 360856975 /nfs/dbraw/zinc/85/69/75/360856975.db2.gz ACYWPAFIBGIGSI-DGCLKSJQSA-N 1 0 236.315 0.762 10 0 BCAERO Cc1cccc(NC(=O)NC[C@H]2C[NH2+]C[C@@H]2O)c1 ZINC000414666275 200757486 /nfs/dbraw/zinc/75/74/86/200757486.db2.gz GCUKLDSIZQVBDW-PWSUYJOCSA-N 1 0 249.314 0.697 10 0 BCAERO NC(=[NH2+])N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000306614769 361143004 /nfs/dbraw/zinc/14/30/04/361143004.db2.gz OUSYUXJXXKDMNP-GDNZZTSVSA-N 1 0 230.315 0.600 10 0 BCAERO Nc1ncc(Cl)cc1[C@]1(O)CC[NH2+]C1 ZINC000069943313 361173143 /nfs/dbraw/zinc/17/31/43/361173143.db2.gz MGOPRHVNEXKYSB-VIFPVBQESA-N 1 0 213.668 0.498 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N(C)CC(F)F ZINC000158774408 361210820 /nfs/dbraw/zinc/21/08/20/361210820.db2.gz STHNDSQGGOWZLA-RNFRBKRXSA-N 1 0 206.236 0.565 10 0 BCAERO [NH3+]C1(C(=O)N[C@@H]2CCCOC2)CCCC1 ZINC000071023711 181326948 /nfs/dbraw/zinc/32/69/48/181326948.db2.gz QDFTXGYUBGFDQU-SECBINFHSA-N 1 0 212.293 0.553 10 0 BCAERO C[C@@H]1CN([C@H](C[NH3+])C(F)(F)F)C[C@@H]1O ZINC000306628531 361298610 /nfs/dbraw/zinc/29/86/10/361298610.db2.gz JOPRJXJKCBXIHF-DSYKOEDSSA-N 1 0 212.215 0.189 10 0 BCAERO [NH3+]C1(C(=O)NC[C@H]2CCCCO2)CCOCC1 ZINC000127892539 181327960 /nfs/dbraw/zinc/32/79/60/181327960.db2.gz WXRJMWZZDMTANQ-SNVBAGLBSA-N 1 0 242.319 0.180 10 0 BCAERO [NH3+]C1(C(=O)NCc2ccc(O)cc2)CC1 ZINC000083344642 181328158 /nfs/dbraw/zinc/32/81/58/181328158.db2.gz FKYMGXGUQWIJFI-UHFFFAOYSA-N 1 0 206.245 0.500 10 0 BCAERO CC[C@@H]1CN(C(=O)[C@@H](C)[NH2+]C)C[C@H](C)O1 ZINC000579128661 366720854 /nfs/dbraw/zinc/72/08/54/366720854.db2.gz FTEVCKVBXZVZFH-IVZWLZJFSA-N 1 0 214.309 0.620 10 0 BCAERO O=C(N[C@H]1CCC[NH2+]C1)[C@H]1CCSC1 ZINC000069986969 361322221 /nfs/dbraw/zinc/32/22/21/361322221.db2.gz OZORNNODKSGZFV-IUCAKERBSA-N 1 0 214.334 0.608 10 0 BCAERO COCCn1cc(C[NH+](C)C)ccc1=O ZINC000065285856 361374571 /nfs/dbraw/zinc/37/45/71/361374571.db2.gz IZOTUGOOCFMEQN-UHFFFAOYSA-N 1 0 210.277 0.556 10 0 BCAERO [NH3+]C1(C(=O)OC[C@H]2CCCO2)CCCC1 ZINC000048637107 181331202 /nfs/dbraw/zinc/33/12/02/181331202.db2.gz XWSCFZJTXPIQIB-SECBINFHSA-N 1 0 213.277 0.980 10 0 BCAERO C[NH+](C)[C@H]1CCN(C(=O)c2c[nH]cn2)C1 ZINC000379739206 361384384 /nfs/dbraw/zinc/38/43/84/361384384.db2.gz RMRPNCRHCWPWGV-QMMMGPOBSA-N 1 0 208.265 0.186 10 0 BCAERO [NH3+]C1(CNc2ncnc3nc[nH]c32)CCC1 ZINC000236214059 181333044 /nfs/dbraw/zinc/33/30/44/181333044.db2.gz PVTGQPBBSBTSPF-UHFFFAOYSA-N 1 0 218.264 0.646 10 0 BCAERO CC(C)S(=O)(=O)NC1CC[NH+](C)CC1 ZINC000070227868 361487166 /nfs/dbraw/zinc/48/71/66/361487166.db2.gz XAIFIFKRXILRJH-UHFFFAOYSA-N 1 0 220.338 0.408 10 0 BCAERO CC[NH2+]C[C@@H]1C[C@]12CCCS(=O)(=O)C2 ZINC000070079205 361451600 /nfs/dbraw/zinc/45/16/00/361451600.db2.gz DRVHFHUVWBAWIO-UWVGGRQHSA-N 1 0 217.334 0.811 10 0 BCAERO CCc1nnc(CN(CC)CC[NH3+])n1C ZINC000629558339 361452651 /nfs/dbraw/zinc/45/26/51/361452651.db2.gz XLSWBUNAXKMLRB-UHFFFAOYSA-N 1 0 211.313 0.158 10 0 BCAERO O[C@H](C[NH2+][C@H]1CCOC[C@H]1O)CC(F)(F)F ZINC000629608682 361496015 /nfs/dbraw/zinc/49/60/15/361496015.db2.gz LFLHZFXJOPDTTQ-BIIVOSGPSA-N 1 0 243.225 0.039 10 0 BCAERO O[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCOC[C@@H]1O ZINC000629609331 361497141 /nfs/dbraw/zinc/49/71/41/361497141.db2.gz WYRLAONKAGTNBO-DBIOUOCHSA-N 1 0 215.293 0.029 10 0 BCAERO [NH3+]C1CC(NC(=O)[C@H](O)c2ccccc2)C1 ZINC000037375280 181340309 /nfs/dbraw/zinc/34/03/09/181340309.db2.gz MIMSXUHKINUTQP-VQXHTEKXSA-N 1 0 220.272 0.326 10 0 BCAERO [NH3+]C1CCC(C(=O)NC[C@@H]2CCOC2)CC1 ZINC000037739192 181339970 /nfs/dbraw/zinc/33/99/70/181339970.db2.gz PRSYGMHYWNUUOJ-WHXUTIOJSA-N 1 0 226.320 0.657 10 0 BCAERO [NH3+]C1CC(NS(=O)(=O)c2ccc(F)cc2)C1 ZINC000036265944 181340346 /nfs/dbraw/zinc/34/03/46/181340346.db2.gz ATTZWBQPOSJIDI-UHFFFAOYSA-N 1 0 244.291 0.594 10 0 BCAERO [NH3+]C1CCC(C(=O)NC[C@H]2CCCO2)CC1 ZINC000037481821 181340514 /nfs/dbraw/zinc/34/05/14/181340514.db2.gz ZHDFNUYCXAHJIQ-VQXHTEKXSA-N 1 0 226.320 0.799 10 0 BCAERO CCN1CCO[C@@H](C[NH2+]CC(C)(C)COC)C1 ZINC000310080547 491160006 /nfs/dbraw/zinc/16/00/06/491160006.db2.gz CQIKXWXBHFIHMC-LBPRGKRZSA-N 1 0 244.379 0.969 10 0 BCAERO C[C@H]1C[NH+]=C(NC[C@H]2CCC(=O)N2)S1 ZINC000070628571 361680565 /nfs/dbraw/zinc/68/05/65/361680565.db2.gz BZTHHVPEWIDSTG-NKWVEPMBSA-N 1 0 213.306 0.346 10 0 BCAERO C[C@@H]1C[NH+]=C(NC[C@@H]2CCC(=O)N2)S1 ZINC000070628568 361680577 /nfs/dbraw/zinc/68/05/77/361680577.db2.gz BZTHHVPEWIDSTG-RQJHMYQMSA-N 1 0 213.306 0.346 10 0 BCAERO [NH3+]C1CCN(Cc2cc(=O)c(O)co2)CC1 ZINC000036754088 181344656 /nfs/dbraw/zinc/34/46/56/181344656.db2.gz USYCCFDLPSIQRM-UHFFFAOYSA-N 1 0 224.260 0.269 10 0 BCAERO Cc1csc(NC[C@H]([NH3+])[C@H](C)O)n1 ZINC000070648107 361695631 /nfs/dbraw/zinc/69/56/31/361695631.db2.gz OQBOJKBFDKEGEE-BQBZGAKWSA-N 1 0 201.295 0.572 10 0 BCAERO C[C@H](O)[C@@H]([NH3+])CNc1ncccc1Cl ZINC000070648163 361695750 /nfs/dbraw/zinc/69/57/50/361695750.db2.gz MPFVGKDGFPBAKC-XPUUQOCRSA-N 1 0 215.684 0.855 10 0 BCAERO [NH3+]CC(=O)N(Cc1cccc(O)c1)C1CC1 ZINC000037823813 181347791 /nfs/dbraw/zinc/34/77/91/181347791.db2.gz UOTRGGDKECKWEM-UHFFFAOYSA-N 1 0 220.272 0.842 10 0 BCAERO [NH3+]CC(=O)N(C[C@H]1CCCO1)C[C@@H]1CCCO1 ZINC000037820518 181347823 /nfs/dbraw/zinc/34/78/23/181347823.db2.gz ROGOXSSSGKPKFY-PHIMTYICSA-N 1 0 242.319 0.132 10 0 BCAERO [NH3+]CC(=O)N(C[C@H]1CCCO1)C[C@H]1CCCO1 ZINC000037820520 181348202 /nfs/dbraw/zinc/34/82/02/181348202.db2.gz ROGOXSSSGKPKFY-GHMZBOCLSA-N 1 0 242.319 0.132 10 0 BCAERO [NH3+]CC(=O)N(C[C@H]1CCCO1)[C@@H]1CCSC1 ZINC000037810595 181348592 /nfs/dbraw/zinc/34/85/92/181348592.db2.gz SBKZOFHSRBAAKM-NXEZZACHSA-N 1 0 244.360 0.458 10 0 BCAERO [NH3+]CCc1nnc(Br)s1 ZINC000214874330 363861351 /nfs/dbraw/zinc/86/13/51/363861351.db2.gz QPWZTDSGQKDIEO-UHFFFAOYSA-N 1 0 208.084 0.802 10 0 BCAERO [NH3+]CC(=O)NCCCOc1ccc(F)c(F)c1 ZINC000041290072 181351535 /nfs/dbraw/zinc/35/15/35/181351535.db2.gz OGFMULKJTOBGFF-UHFFFAOYSA-N 1 0 244.241 0.809 10 0 BCAERO CCNC(=O)N1C[C@H](OC)C[C@]1(C)C[NH3+] ZINC000630367733 364084474 /nfs/dbraw/zinc/08/44/74/364084474.db2.gz PMVKEBRPQODANS-PSASIEDQSA-N 1 0 215.297 0.154 10 0 BCAERO CCOCCN1C[C@@H](OC)C[C@@]1(C)C[NH3+] ZINC000630356053 364078070 /nfs/dbraw/zinc/07/80/70/364078070.db2.gz NFYHJFRSBNUYSA-QWRGUYRKSA-N 1 0 216.325 0.461 10 0 BCAERO C[C@H]([NH3+])CCCn1cc(S(C)(=O)=O)cn1 ZINC000725251681 541331003 /nfs/dbraw/zinc/33/10/03/541331003.db2.gz FEPFYXWOSAGVMH-QMMMGPOBSA-N 1 0 231.321 0.414 10 0 BCAERO CO[C@@H]1CN(C(=O)[C@@H]2C[C@H]2C)[C@@](C)(C[NH3+])C1 ZINC000630363039 364082575 /nfs/dbraw/zinc/08/25/75/364082575.db2.gz OHBCQVBKZMOVAC-DTHBNOIPSA-N 1 0 226.320 0.607 10 0 BCAERO CCOc1ccc([C@@](C)([NH3+])C(N)=O)cc1 ZINC000037460021 364045721 /nfs/dbraw/zinc/04/57/21/364045721.db2.gz FQOGKSIJNNSVSU-LLVKDONJSA-N 1 0 208.261 0.745 10 0 BCAERO C[NH2+][C@H](C)C[C@@H](C)n1cc(S(C)(=O)=O)cn1 ZINC000725251765 541331036 /nfs/dbraw/zinc/33/10/36/541331036.db2.gz GQQWCKPKQQNSIC-RKDXNWHRSA-N 1 0 245.348 0.846 10 0 BCAERO C[C@H]([C@H](C)[NH3+])n1cc(S(C)(=O)=O)cn1 ZINC000725251756 541331047 /nfs/dbraw/zinc/33/10/47/541331047.db2.gz GMKKTWYTYIQXME-NKWVEPMBSA-N 1 0 217.294 0.195 10 0 BCAERO CO[C@H]1CN(C(=O)CC2CC2)[C@@](C)(C[NH3+])C1 ZINC000630367955 364084965 /nfs/dbraw/zinc/08/49/65/364084965.db2.gz OONWBDWPJJSUMJ-ZYHUDNBSSA-N 1 0 226.320 0.751 10 0 BCAERO CO[C@H]1CN(C(=O)C(C)C)[C@](C)(C[NH3+])C1 ZINC000630365853 364082902 /nfs/dbraw/zinc/08/29/02/364082902.db2.gz ZBTOTUFPGOTYQV-KOLCDFICSA-N 1 0 214.309 0.607 10 0 BCAERO CCC(=O)N1C[C@H](OC)C[C@]1(C)C[NH3+] ZINC000630364379 364082944 /nfs/dbraw/zinc/08/29/44/364082944.db2.gz VBFSSXXGMUKOJZ-PSASIEDQSA-N 1 0 200.282 0.361 10 0 BCAERO CCCCNC(=O)N1C[C@@H](OC)C[C@]1(C)C[NH3+] ZINC000630365542 364083463 /nfs/dbraw/zinc/08/34/63/364083463.db2.gz IQPNJXHQBBOYOE-CMPLNLGQSA-N 1 0 243.351 0.934 10 0 BCAERO CO[C@@H]1CN(Cc2conc2C)[C@](C)(C[NH3+])C1 ZINC000630364057 364083484 /nfs/dbraw/zinc/08/34/84/364083484.db2.gz CKFKRXUZVLSYCF-RYUDHWBXSA-N 1 0 239.319 0.921 10 0 BCAERO CO[C@@H]1CN(CC[C@H]2CCCO2)[C@](C)(C[NH3+])C1 ZINC000630369236 364086048 /nfs/dbraw/zinc/08/60/48/364086048.db2.gz WAVDNUIQNBAXDZ-AGIUHOORSA-N 1 0 242.363 0.994 10 0 BCAERO CO[C@@H]1CN(CC[C@@H]2CCCO2)[C@@](C)(C[NH3+])C1 ZINC000630369241 364086260 /nfs/dbraw/zinc/08/62/60/364086260.db2.gz WAVDNUIQNBAXDZ-RWMBFGLXSA-N 1 0 242.363 0.994 10 0 BCAERO CO[C@@H]1CN(CCCF)[C@](C)(C[NH3+])C1 ZINC000630369226 364086284 /nfs/dbraw/zinc/08/62/84/364086284.db2.gz VZVAQNJJBSWSHG-UWVGGRQHSA-N 1 0 204.289 0.784 10 0 BCAERO CO[C@H]1CN(C(=O)NC(C)C)[C@@](C)(C[NH3+])C1 ZINC000630366453 364086320 /nfs/dbraw/zinc/08/63/20/364086320.db2.gz KPSPMJRRQSIKQS-MWLCHTKSSA-N 1 0 229.324 0.543 10 0 BCAERO CO[C@@H]1CN(CC[C@@H]2CCCO2)[C@](C)(C[NH3+])C1 ZINC000630369237 364086693 /nfs/dbraw/zinc/08/66/93/364086693.db2.gz WAVDNUIQNBAXDZ-AVGNSLFASA-N 1 0 242.363 0.994 10 0 BCAERO CO[C@@H]1CN(C[C@@H]2CCCCO2)[C@@](C)(C[NH3+])C1 ZINC000630370321 364087031 /nfs/dbraw/zinc/08/70/31/364087031.db2.gz YZBZNRBQBINOSO-RWMBFGLXSA-N 1 0 242.363 0.994 10 0 BCAERO CO[C@H]1CN(C(=O)N(C)C)[C@@](C)(C[NH3+])C1 ZINC000630369391 364087568 /nfs/dbraw/zinc/08/75/68/364087568.db2.gz WXKIXDPJIGPKLK-PSASIEDQSA-N 1 0 215.297 0.106 10 0 BCAERO CO[C@H]1CN(C(=O)[C@@H]2CCCO2)[C@@](C)(C[NH3+])C1 ZINC000630374971 364088795 /nfs/dbraw/zinc/08/87/95/364088795.db2.gz PXSKORZEZICCMY-JFGNBEQYSA-N 1 0 242.319 0.130 10 0 BCAERO CO[C@H]1CN(C(=O)COC(C)C)[C@@](C)(C[NH3+])C1 ZINC000630373362 364089560 /nfs/dbraw/zinc/08/95/60/364089560.db2.gz ZNXTWRUTWZONDB-ZYHUDNBSSA-N 1 0 244.335 0.376 10 0 BCAERO CCCC[N@H+](CCO)[C@H]1CCOC[C@H]1O ZINC000725273031 541340476 /nfs/dbraw/zinc/34/04/76/541340476.db2.gz POXCOXPZZADNOG-WDEREUQCSA-N 1 0 217.309 0.231 10 0 BCAERO C[C@H](O)C[N@H+](C)[C@H]1CCO[C@@]12CCOC2 ZINC000725268936 541337984 /nfs/dbraw/zinc/33/79/84/541337984.db2.gz HDNJTMYLWNWQAD-GARJFASQSA-N 1 0 215.293 0.247 10 0 BCAERO CCN(c1cccc(C[NH3+])c1)S(C)(=O)=O ZINC000725268893 541338389 /nfs/dbraw/zinc/33/83/89/541338389.db2.gz FCMXUQWYXFXYLX-UHFFFAOYSA-N 1 0 228.317 0.931 10 0 BCAERO C[C@H](NC(=O)C[NH+](C)C)[C@H]1CCCO1 ZINC000170754261 364165225 /nfs/dbraw/zinc/16/52/25/364165225.db2.gz UOJXNLPEWFJKTO-DTWKUNHWSA-N 1 0 200.282 0.232 10 0 BCAERO CC(C)C[NH2+]C[C@@H](O)[C@H]1COC(C)(C)O1 ZINC000725269769 541338995 /nfs/dbraw/zinc/33/89/95/541338995.db2.gz YTAOAEAUMYZBFF-NXEZZACHSA-N 1 0 217.309 0.744 10 0 BCAERO CCCOc1nccnc1N(C)CC[NH3+] ZINC000630516422 364200936 /nfs/dbraw/zinc/20/09/36/364200936.db2.gz NCINSGVKUYIHBU-UHFFFAOYSA-N 1 0 210.281 0.660 10 0 BCAERO [NH3+]CC1(CC(=O)NCCO)CCCCC1 ZINC000083347942 181359155 /nfs/dbraw/zinc/35/91/55/181359155.db2.gz DZOFPIRHRNTCQT-UHFFFAOYSA-N 1 0 214.309 0.394 10 0 BCAERO [NH3+]CC1(C(=O)N2CCCC[C@H]2CO)CC1 ZINC000082641904 181358260 /nfs/dbraw/zinc/35/82/60/181358260.db2.gz ITPVWMXWACALFD-VIFPVBQESA-N 1 0 212.293 0.099 10 0 BCAERO CCN(CC[NH3+])c1ncnc2[nH]ccc21 ZINC000630524249 364210935 /nfs/dbraw/zinc/21/09/35/364210935.db2.gz ZBABSEHHGNRAAH-UHFFFAOYSA-N 1 0 205.265 0.743 10 0 BCAERO [NH3+]CC1(C(=O)NC[C@H]2CCC[C@H]2O)CCCC1 ZINC000123026806 181358943 /nfs/dbraw/zinc/35/89/43/181358943.db2.gz FRLBAAKJLYFOSH-GHMZBOCLSA-N 1 0 240.347 0.783 10 0 BCAERO C[NH2+]CCOCCNc1ccnc2cccnc21 ZINC000630527180 364215021 /nfs/dbraw/zinc/21/50/21/364215021.db2.gz KBNJQMQDYQPCHP-UHFFFAOYSA-N 1 0 246.314 0.700 10 0 BCAERO C[NH2+]CCOCCN(C)c1ncncc1Cl ZINC000630527902 364215178 /nfs/dbraw/zinc/21/51/78/364215178.db2.gz ARKPWWUUHQALHY-UHFFFAOYSA-N 1 0 244.726 0.802 10 0 BCAERO CCc1nsc(N(C)CCOCC[NH2+]C)n1 ZINC000630529357 364217159 /nfs/dbraw/zinc/21/71/59/364217159.db2.gz XECKSFZJCWUZLJ-UHFFFAOYSA-N 1 0 244.364 0.773 10 0 BCAERO CCOc1cncc(NCCOCC[NH2+]C)n1 ZINC000630530041 364217241 /nfs/dbraw/zinc/21/72/41/364217241.db2.gz GOORDKSDCKSSBE-UHFFFAOYSA-N 1 0 240.307 0.523 10 0 BCAERO [NH3+]CC1(C(=O)NC[C@@H]2CCCO2)CCOCC1 ZINC000044753131 181359031 /nfs/dbraw/zinc/35/90/31/181359031.db2.gz FUXIBIUFZXNIFQ-JTQLQIEISA-N 1 0 242.319 0.037 10 0 BCAERO CN(CCOCC[NH3+])c1ncnc2[nH]ccc21 ZINC000630538789 364235135 /nfs/dbraw/zinc/23/51/35/364235135.db2.gz HBMNIKUYQKVPTK-UHFFFAOYSA-N 1 0 235.291 0.369 10 0 BCAERO NC(=O)c1ccc(N2CCCCC[C@@H]([NH3+])C2)nn1 ZINC000630548689 364245435 /nfs/dbraw/zinc/24/54/35/364245435.db2.gz IVXDUUXPVABKCF-SECBINFHSA-N 1 0 249.318 0.283 10 0 BCAERO CCn1ccnc(N2C[C@H](C)[C@H](C[NH3+])C2)c1=O ZINC000630552753 364246910 /nfs/dbraw/zinc/24/69/10/364246910.db2.gz HFVCNICAOUNIBZ-VHSXEESVSA-N 1 0 236.319 0.294 10 0 BCAERO CCOc1cncc(N2C[C@@H](C)[C@@H](C[NH3+])C2)n1 ZINC000630552699 364246938 /nfs/dbraw/zinc/24/69/38/364246938.db2.gz GPNKJMCLHINKDN-ZJUUUORDSA-N 1 0 236.319 0.906 10 0 BCAERO C[C@H]1CN(c2ncc(F)cn2)C[C@H]1C[NH3+] ZINC000630576709 364275332 /nfs/dbraw/zinc/27/53/32/364275332.db2.gz ZDNAPKXXSPNRIK-JGVFFNPUSA-N 1 0 210.256 0.647 10 0 BCAERO OCCc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000215375285 370769943 /nfs/dbraw/zinc/76/99/43/370769943.db2.gz PJIKTGVYYFHSHJ-GFCCVEGCSA-N 1 0 207.273 0.882 10 0 BCAERO C[C@@H]1C[C@@H]([NH3+])CN1c1cn[nH]c(=O)c1Cl ZINC000630557188 364258595 /nfs/dbraw/zinc/25/85/95/364258595.db2.gz HYMZZPSKGMFYKM-PHDIDXHHSA-N 1 0 228.683 0.762 10 0 BCAERO C[C@@H]1CN(c2cn[nH]c(=O)c2Cl)C[C@H]1C[NH3+] ZINC000630569933 364265702 /nfs/dbraw/zinc/26/57/02/364265702.db2.gz KSCWVPBPCJGMEU-RNFRBKRXSA-N 1 0 242.710 0.867 10 0 BCAERO C[C@H]1CN(c2cn[nH]c(=O)c2Cl)C[C@H]1C[NH3+] ZINC000630569932 364265887 /nfs/dbraw/zinc/26/58/87/364265887.db2.gz KSCWVPBPCJGMEU-NKWVEPMBSA-N 1 0 242.710 0.867 10 0 BCAERO CCOc1cc(N2C[C@@H](C)[C@@H](C[NH3+])C2)ncn1 ZINC000630573532 364269333 /nfs/dbraw/zinc/26/93/33/364269333.db2.gz UQLGTOBRGOGPAX-ZJUUUORDSA-N 1 0 236.319 0.906 10 0 BCAERO Cc1noc2ncnc(N3C[C@@H](C)[C@@H](C[NH3+])C3)c12 ZINC000630574986 364273196 /nfs/dbraw/zinc/27/31/96/364273196.db2.gz WDVQRPKAAYWKEL-APPZFPTMSA-N 1 0 247.302 0.957 10 0 BCAERO [NH3+]CC1(N2CCOCC2)CCSCC1 ZINC000042334892 181360337 /nfs/dbraw/zinc/36/03/37/181360337.db2.gz YGGLXIMGJLHHBA-UHFFFAOYSA-N 1 0 216.350 0.543 10 0 BCAERO C[C@@H]1CC[C@H](Nc2ncnc3nc[nH]c32)C[NH2+]1 ZINC000630535331 364230089 /nfs/dbraw/zinc/23/00/89/364230089.db2.gz TYPJZIKKFFPXQF-SFYZADRCSA-N 1 0 232.291 0.905 10 0 BCAERO Cc1c(CN[C@H]2CC[C@@H](C)[NH2+]C2)cnn1C ZINC000398956000 364278595 /nfs/dbraw/zinc/27/85/95/364278595.db2.gz IEWIYHHZEUEJKX-SKDRFNHKSA-N 1 0 222.336 0.959 10 0 BCAERO CNC(=O)CC[N@H+](C)C[C@H](O)COC(C)(C)C ZINC000170820637 364360736 /nfs/dbraw/zinc/36/07/36/364360736.db2.gz SKHJGHBRZVZNCJ-JTQLQIEISA-N 1 0 246.351 0.230 10 0 BCAERO COCCCCNC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170829995 364380839 /nfs/dbraw/zinc/38/08/39/364380839.db2.gz DMCWACZTEPTVHH-LLVKDONJSA-N 1 0 243.351 0.759 10 0 BCAERO C[C@H]1OCC[C@H]1[NH2+]CCCS(C)(=O)=O ZINC000134047164 364385892 /nfs/dbraw/zinc/38/58/92/364385892.db2.gz HTUAYLSPYASQQP-RKDXNWHRSA-N 1 0 221.322 0.188 10 0 BCAERO CCNC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000136082906 364455605 /nfs/dbraw/zinc/45/56/05/364455605.db2.gz SQENBRBCFMUACO-SNVBAGLBSA-N 1 0 211.309 0.886 10 0 BCAERO [NH3+]CC1CCN(CC(=O)c2cnccn2)CC1 ZINC000095072686 181365543 /nfs/dbraw/zinc/36/55/43/181365543.db2.gz ASQJLZXMQBRNGX-UHFFFAOYSA-N 1 0 234.303 0.330 10 0 BCAERO [NH3+]CC1CCN(C(=O)[C@H]2CSC(=O)N2)CC1 ZINC000044512747 181365568 /nfs/dbraw/zinc/36/55/68/181365568.db2.gz DJYHKMIBCAJBDC-MRVPVSSYSA-N 1 0 243.332 0.009 10 0 BCAERO CS[C@@H](C)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170866411 364545747 /nfs/dbraw/zinc/54/57/47/364545747.db2.gz QVCAQEOUVODUPH-IUCAKERBSA-N 1 0 216.350 0.900 10 0 BCAERO C[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCCOC2)C1 ZINC000170868622 364546694 /nfs/dbraw/zinc/54/66/94/364546694.db2.gz ZIYDKXNECICHBB-MNOVXSKESA-N 1 0 226.320 0.576 10 0 BCAERO [NH3+]CCC(=O)N1CCN(Cc2ccco2)CC1 ZINC000037802826 181366228 /nfs/dbraw/zinc/36/62/28/181366228.db2.gz ZHTUDXUAHUIBHL-UHFFFAOYSA-N 1 0 237.303 0.273 10 0 BCAERO Cn1ncnc1CN1CC[N@@H+]2CCCC[C@H]2C1 ZINC000246468625 364596337 /nfs/dbraw/zinc/59/63/37/364596337.db2.gz WOCVIVOSKFKSRW-NSHDSACASA-N 1 0 235.335 0.485 10 0 BCAERO [NH3+]CCC(=O)N1CCc2ncccc2C1 ZINC000037484103 181367085 /nfs/dbraw/zinc/36/70/85/181367085.db2.gz FIPLKOOOOWFIHD-UHFFFAOYSA-N 1 0 205.261 0.315 10 0 BCAERO CCOC(=O)CN1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000246783217 364610325 /nfs/dbraw/zinc/61/03/25/364610325.db2.gz BGKLPLRCWSNQOC-MNOVXSKESA-N 1 0 226.320 0.718 10 0 BCAERO CCNC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000247182008 364619776 /nfs/dbraw/zinc/61/97/76/364619776.db2.gz LAEAVGDYWRNMCV-NXEZZACHSA-N 1 0 211.309 0.884 10 0 BCAERO NC(=O)c1cc(NC(=O)CC[NH3+])ccc1Cl ZINC000037027903 181368556 /nfs/dbraw/zinc/36/85/56/181368556.db2.gz FNVYRSGAKGNNOA-UHFFFAOYSA-N 1 0 241.678 0.726 10 0 BCAERO COC(=O)[C@H]1CCCN(C[C@@H]2CCC[N@@H+]2C)C1 ZINC000387408047 364669731 /nfs/dbraw/zinc/66/97/31/364669731.db2.gz LYEBBBWDMZCELP-RYUDHWBXSA-N 1 0 240.347 0.966 10 0 BCAERO CC(C)NC(=O)N1CC2(C1)C[NH2+]CC2(F)F ZINC000685949409 541396556 /nfs/dbraw/zinc/39/65/56/541396556.db2.gz RMDJGSQKHPXLND-UHFFFAOYSA-N 1 0 233.262 0.645 10 0 BCAERO [NH3+]CCCCNC(=O)CCOC[C@H]1CCCO1 ZINC000181036856 181376332 /nfs/dbraw/zinc/37/63/32/181376332.db2.gz RNOXQKRHWZZJRH-LLVKDONJSA-N 1 0 244.335 0.427 10 0 BCAERO CCC[C@H](C)C(=O)N[C@]1(CO)CCC[NH2+]C1 ZINC000669385000 541438470 /nfs/dbraw/zinc/43/84/70/541438470.db2.gz RYMUPLYISYIFLB-CMPLNLGQSA-N 1 0 228.336 0.653 10 0 BCAERO O=C(N[C@]1(CO)CCC[NH2+]C1)C1CCCC1 ZINC000669384875 541438492 /nfs/dbraw/zinc/43/84/92/541438492.db2.gz KZKXGABOHLVBDY-GFCCVEGCSA-N 1 0 226.320 0.407 10 0 BCAERO CCN1CCO[C@H](C[NH2+][C@H](C)[C@H]2CCCO2)C1 ZINC000252644946 541451193 /nfs/dbraw/zinc/45/11/93/541451193.db2.gz POSFNPFONUEWAD-JHJVBQTASA-N 1 0 242.363 0.864 10 0 BCAERO [NH3+]CCCc1nnnn1-c1ccccc1 ZINC000052946235 181388067 /nfs/dbraw/zinc/38/80/67/181388067.db2.gz XYJAXOVADBIGRM-UHFFFAOYSA-N 1 0 203.249 0.554 10 0 BCAERO [NH3+]CCCn1c(Br)cccc1=O ZINC000057832360 181388071 /nfs/dbraw/zinc/38/80/71/181388071.db2.gz MQZADFKSSGHXHH-UHFFFAOYSA-N 1 0 231.093 0.960 10 0 BCAERO [NH3+]CCCc1noc([C@H]2COCCO2)n1 ZINC000055305660 181388248 /nfs/dbraw/zinc/38/82/48/181388248.db2.gz BBTWNLNKIDOFMS-SSDOTTSWSA-N 1 0 213.237 0.049 10 0 BCAERO [NH3+]CCCc1nnc(-c2ccc(=O)[nH]c2)o1 ZINC000083350333 181388645 /nfs/dbraw/zinc/38/86/45/181388645.db2.gz LEFUMWNSLADGNI-UHFFFAOYSA-N 1 0 220.232 0.316 10 0 BCAERO [NH3+]CCN1C(=O)NC2(CCCCCCC2)C1=O ZINC000019273671 181390089 /nfs/dbraw/zinc/39/00/89/181390089.db2.gz NTWGWUSZJACQAG-UHFFFAOYSA-N 1 0 239.319 0.980 10 0 BCAERO [NH3+]CCN(C(=O)c1ccccc1O)C1CC1 ZINC000041056769 181390466 /nfs/dbraw/zinc/39/04/66/181390466.db2.gz QEAHJPGSSDFDCI-UHFFFAOYSA-N 1 0 220.272 0.956 10 0 BCAERO [NH3+]CCCn1nnnc1-c1ccc(F)cc1 ZINC000042199308 181390699 /nfs/dbraw/zinc/39/06/99/181390699.db2.gz NHLRRVLLHAPVNF-UHFFFAOYSA-N 1 0 221.239 0.828 10 0 BCAERO [NH3+]CCN(C(=O)[C@H]1COCCO1)C1CCCC1 ZINC000070943553 181390793 /nfs/dbraw/zinc/39/07/93/181390793.db2.gz LOOIOSKOOQZODH-LLVKDONJSA-N 1 0 242.319 0.132 10 0 BCAERO [NH3+]CCN1CCN(C(=O)Oc2ccccc2)CC1 ZINC000037039299 181392386 /nfs/dbraw/zinc/39/23/86/181392386.db2.gz PCFNFZGLTDKIEL-UHFFFAOYSA-N 1 0 249.314 0.762 10 0 BCAERO [NH3+]CCNC(=O)COc1cccc(F)c1 ZINC000019787052 181394657 /nfs/dbraw/zinc/39/46/57/181394657.db2.gz UXJZBRKZHJDYDC-UHFFFAOYSA-N 1 0 212.224 0.279 10 0 BCAERO [NH3+]CCNC(=O)c1ccc2n[nH]cc2c1 ZINC000082639499 181395718 /nfs/dbraw/zinc/39/57/18/181395718.db2.gz KNXOOOMWSDCHBJ-UHFFFAOYSA-N 1 0 204.233 0.251 10 0 BCAERO [NH3+]CCNc1nc(N2CCCC2)nc2c1CCC2 ZINC000057328668 181398275 /nfs/dbraw/zinc/39/82/75/181398275.db2.gz DQJLEELSKHPCAW-UHFFFAOYSA-N 1 0 247.346 0.936 10 0 BCAERO CC(C)n1nnnc1CN1CCC[C@@H]([NH3+])C1 ZINC000574692312 365121980 /nfs/dbraw/zinc/12/19/80/365121980.db2.gz FSXWXDAJNPEJOF-SECBINFHSA-N 1 0 224.312 0.177 10 0 BCAERO [NH3+]CCS(=O)(=O)c1cc(F)ccc1F ZINC000035676149 181401329 /nfs/dbraw/zinc/40/13/29/181401329.db2.gz IAAHYHAGUSJQHT-UHFFFAOYSA-N 1 0 221.228 0.697 10 0 BCAERO [NH3+]CCc1ccnc(-c2ncccn2)n1 ZINC000054833702 181412572 /nfs/dbraw/zinc/41/25/72/181412572.db2.gz WCPFFTAWAXFDBF-UHFFFAOYSA-N 1 0 201.233 0.435 10 0 BCAERO Nc1cc(CC[NH3+])cc(Br)n1 ZINC000095767968 181411513 /nfs/dbraw/zinc/41/15/13/181411513.db2.gz ICSHEABTAHHRFX-UHFFFAOYSA-N 1 0 216.082 0.928 10 0 BCAERO CN1CCN(c2ncnc3[nH]ccc32)[C@@H](C[NH3+])C1 ZINC000575734970 365347225 /nfs/dbraw/zinc/34/72/25/365347225.db2.gz BGVDPEUCYVUDQG-VIFPVBQESA-N 1 0 246.318 0.037 10 0 BCAERO C[C@H]1C[C@H]([NH2+]C2CCN(CCO)CC2)CS1 ZINC000399082634 365394599 /nfs/dbraw/zinc/39/45/99/365394599.db2.gz SLUPWCNEJDOSEM-JQWIXIFHSA-N 1 0 244.404 0.927 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000575806549 365369274 /nfs/dbraw/zinc/36/92/74/365369274.db2.gz YXLPPGRLSMSMIQ-UTINFBMNSA-N 1 0 230.308 0.032 10 0 BCAERO COC[C@H]([NH3+])C(=O)N[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000575806546 365369833 /nfs/dbraw/zinc/36/98/33/365369833.db2.gz YXLPPGRLSMSMIQ-JXUBOQSCSA-N 1 0 230.308 0.032 10 0 BCAERO CCC[N@@H+]1CCC[C@@H]([C@H](C)S(N)(=O)=O)C1 ZINC000257364357 541480907 /nfs/dbraw/zinc/48/09/07/541480907.db2.gz PIRARRJSVJGVAW-VHSXEESVSA-N 1 0 234.365 0.785 10 0 BCAERO CC[N@@H+]1CCC[C@H]([C@H](C)S(N)(=O)=O)C1 ZINC000257362917 541481109 /nfs/dbraw/zinc/48/11/09/541481109.db2.gz JRCKPKBLVVJTGE-IUCAKERBSA-N 1 0 220.338 0.395 10 0 BCAERO CC(C)S(=O)(=O)N1CC[C@H]2CC[C@]21C[NH3+] ZINC000685947521 541496640 /nfs/dbraw/zinc/49/66/40/541496640.db2.gz WSCTXZURTJHKSD-ZJUUUORDSA-N 1 0 232.349 0.538 10 0 BCAERO CC[C@@]1([NH3+])CCCN(C(=O)CCOC)C1 ZINC000685947585 541496714 /nfs/dbraw/zinc/49/67/14/541496714.db2.gz PNXPILWFMHWMHU-LLVKDONJSA-N 1 0 214.309 0.753 10 0 BCAERO CC(C)S(=O)(=O)NC1(C)CCC([NH3+])CC1 ZINC000685947526 541496746 /nfs/dbraw/zinc/49/67/46/541496746.db2.gz LNWXPXRQLAEAFR-UHFFFAOYSA-N 1 0 234.365 0.974 10 0 BCAERO CCOC(=O)[C@@H]1CNc2[nH+]c(C)cn2C1 ZINC000233990446 541511073 /nfs/dbraw/zinc/51/10/73/541511073.db2.gz UGMXDXJCAURLJX-MRVPVSSYSA-N 1 0 209.249 0.796 10 0 BCAERO CCc1cnn2c1ncc1c2CC[NH2+]C1 ZINC000234190782 541511154 /nfs/dbraw/zinc/51/11/54/541511154.db2.gz JUJJATFNKOZAHM-UHFFFAOYSA-N 1 0 202.261 0.937 10 0 BCAERO CCc1nc2n(n1)[C@H]1CC[NH2+]C[C@@H]1CN2 ZINC000234208577 541511973 /nfs/dbraw/zinc/51/19/73/541511973.db2.gz LOVFHRJTNHHBDK-SFYZADRCSA-N 1 0 207.281 0.417 10 0 BCAERO C[N@@H+]1CC[C@H](C(=O)N[C@H]2CCCC[C@H]2O)C1 ZINC000386261063 541516683 /nfs/dbraw/zinc/51/66/83/541516683.db2.gz VNXDBWNOSLYOCQ-GARJFASQSA-N 1 0 226.320 0.358 10 0 BCAERO CC[N@H+](C)C[C@H](O)CN1[C@@H](C)COC[C@@H]1C ZINC000579910655 367073707 /nfs/dbraw/zinc/07/37/07/367073707.db2.gz PLPOBUBFALKGBU-SRVKXCTJSA-N 1 0 230.352 0.408 10 0 BCAERO [NH3+][C@H]1CCN(OCc2ccccc2)C1=O ZINC000027859378 370824046 /nfs/dbraw/zinc/82/40/46/370824046.db2.gz YZGUOBZPQDVTDL-JTQLQIEISA-N 1 0 206.245 0.678 10 0 BCAERO CO[C@H]1C[NH2+][C@@H](C(=O)Nc2nnc(C)s2)C1 ZINC000380233967 367157795 /nfs/dbraw/zinc/15/77/95/367157795.db2.gz CBQFHMREMUVKPK-RNFRBKRXSA-N 1 0 242.304 0.162 10 0 BCAERO C[C@H](C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1)n1cncn1 ZINC000381215187 367364149 /nfs/dbraw/zinc/36/41/49/367364149.db2.gz FKYYNUOJCHQCFB-RCWTZXSCSA-N 1 0 249.318 0.035 10 0 BCAERO O=C1NC[C@H](C[NH2+][C@H]2CCC[C@H]2CCO)O1 ZINC000381533741 367425662 /nfs/dbraw/zinc/42/56/62/367425662.db2.gz DJMUOHJPDPHNAB-GUBZILKMSA-N 1 0 228.292 0.236 10 0 BCAERO C[C@H]1CN(C(=O)[C@H]2CC[NH2+]C2)C[C@H](C)S1 ZINC000381791687 367457731 /nfs/dbraw/zinc/45/77/31/367457731.db2.gz ABDADARGXSJZLK-GUBZILKMSA-N 1 0 228.361 0.948 10 0 BCAERO CC(C)OCCCN(C)[C@H]1C[NH2+]C[C@@H]1O ZINC000382889084 367565555 /nfs/dbraw/zinc/56/55/55/367565555.db2.gz UTKSNTZFEOUGDY-QWRGUYRKSA-N 1 0 216.325 0.066 10 0 BCAERO CO[C@H]1C[NH2+][C@@H](C(=O)Nc2cnc(C)nc2)C1 ZINC000384184111 367674064 /nfs/dbraw/zinc/67/40/64/367674064.db2.gz RMUFOBSNRKZJSW-NXEZZACHSA-N 1 0 236.275 0.100 10 0 BCAERO C[C@@H]1[C@@H](O)CCC[N@@H+]1C[C@@H](O)C(F)(F)F ZINC000384864314 367746719 /nfs/dbraw/zinc/74/67/19/367746719.db2.gz NNCWEODVFQFKMM-GJMOJQLCSA-N 1 0 227.226 0.755 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@@H]1NS(=O)(=O)C(F)F ZINC000061883980 181432297 /nfs/dbraw/zinc/43/22/97/181432297.db2.gz JQARGTULQQOGKW-WDSKDSINSA-N 1 0 228.264 0.256 10 0 BCAERO CC(C)OC[C@H](O)C[N@@H+]1CCC[C@H](O)[C@H]1C ZINC000384974735 367768904 /nfs/dbraw/zinc/76/89/04/367768904.db2.gz ITNRQRMQIPEHPW-UTUOFQBUSA-N 1 0 231.336 0.618 10 0 BCAERO COc1ccnc(N2C[C@H]([NH3+])C[C@@H]2C)n1 ZINC000385211404 367809053 /nfs/dbraw/zinc/80/90/53/367809053.db2.gz XEQNMQKJMNXPRT-JGVFFNPUSA-N 1 0 208.265 0.411 10 0 BCAERO CC(C)[NH2+]CCCNc1ccnc(C(N)=O)c1 ZINC000581778177 367827713 /nfs/dbraw/zinc/82/77/13/367827713.db2.gz YCAZZWNFSFHRIC-UHFFFAOYSA-N 1 0 236.319 0.981 10 0 BCAERO CCOC(=O)CC[C@H](O)C[NH2+][C@@H]1CCO[C@@H]1C ZINC000385490519 367835150 /nfs/dbraw/zinc/83/51/50/367835150.db2.gz DBJGCESHFFCUHT-OUAUKWLOSA-N 1 0 245.319 0.458 10 0 BCAERO CN1CCN(c2ncccc2Cl)[C@H](C[NH3+])C1 ZINC000087613850 367915580 /nfs/dbraw/zinc/91/55/80/367915580.db2.gz KRGRZOFDXDZFPD-SECBINFHSA-N 1 0 240.738 0.814 10 0 BCAERO CN1CCN(c2ccc(F)cn2)[C@H](C[NH3+])C1 ZINC000087613848 367915738 /nfs/dbraw/zinc/91/57/38/367915738.db2.gz JIIVSNMPSLWCTE-SNVBAGLBSA-N 1 0 224.283 0.300 10 0 BCAERO CCc1csc(N2CCN(C)C[C@@H]2C[NH3+])n1 ZINC000087613837 367916240 /nfs/dbraw/zinc/91/62/40/367916240.db2.gz HANVYKUFIVCMHW-JTQLQIEISA-N 1 0 240.376 0.785 10 0 BCAERO CC[C@@H](C[NH2+]CC1(O)CCOCC1)OC ZINC000385950728 367888717 /nfs/dbraw/zinc/88/87/17/367888717.db2.gz CPZCIWDWAHZTNA-JTQLQIEISA-N 1 0 217.309 0.543 10 0 BCAERO CCN(CC(F)F)C(=O)[C@@H]([NH3+])COC ZINC000386239354 367936389 /nfs/dbraw/zinc/93/63/89/367936389.db2.gz SFUUQLOSTQEJLS-LURJTMIESA-N 1 0 210.224 0.074 10 0 BCAERO Cc1cnc(N2CC[NH2+]C[C@@H]2C)nc1C ZINC000386577984 367994724 /nfs/dbraw/zinc/99/47/24/367994724.db2.gz SRKGGZAOGOWLNN-VIFPVBQESA-N 1 0 206.293 0.892 10 0 BCAERO CCN(C)C(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000087638906 367947252 /nfs/dbraw/zinc/94/72/52/367947252.db2.gz BMZVZXFFOGBXBK-UHFFFAOYSA-N 1 0 213.325 0.149 10 0 BCAERO CCN(CC(F)F)C(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000386439299 367973421 /nfs/dbraw/zinc/97/34/21/367973421.db2.gz SFFXMXJDAWOEGY-HTQZYQBOSA-N 1 0 220.263 0.956 10 0 BCAERO Cc1cnc(NC[C@@H]2C[NH2+]CCO2)nc1C ZINC000386477885 367978406 /nfs/dbraw/zinc/97/84/06/367978406.db2.gz PYJWYBWDODTGHD-JTQLQIEISA-N 1 0 222.292 0.494 10 0 BCAERO Cc1cnc(N2C[C@H](C)[C@H]([NH3+])C2)nc1C ZINC000386476027 367978581 /nfs/dbraw/zinc/97/85/81/367978581.db2.gz PQKGIFHLJDUTSI-WCBMZHEXSA-N 1 0 206.293 0.877 10 0 BCAERO CO[C@@H]1[C@H]([NH3+])C[C@H]1OC1CCOCC1 ZINC000252857804 368163437 /nfs/dbraw/zinc/16/34/37/368163437.db2.gz MNPSJHRRCNWQTI-OPRDCNLKSA-N 1 0 201.266 0.297 10 0 BCAERO CC(C)C(=O)C[N@@H+]1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000252873618 368165655 /nfs/dbraw/zinc/16/56/55/368165655.db2.gz POAGLBGZRRSIJK-DCAQKATOSA-N 1 0 211.305 0.914 10 0 BCAERO C[C@H](CN1CC[NH2+]C[C@@H](C)C1)[S@](C)=O ZINC000252934711 368168326 /nfs/dbraw/zinc/16/83/26/368168326.db2.gz DWRMGNVRGNATGG-RULNRJAQSA-N 1 0 218.366 0.295 10 0 BCAERO Cc1csc(N2CCOC[C@H]2C[NH3+])n1 ZINC000161376725 368140514 /nfs/dbraw/zinc/14/05/14/368140514.db2.gz BTXROAIQJGKYKX-MRVPVSSYSA-N 1 0 213.306 0.615 10 0 BCAERO Cc1cccc2c1nc(CC[NH3+])n(C)c2=O ZINC000215915017 368401905 /nfs/dbraw/zinc/40/19/05/368401905.db2.gz VLVRULXRGCCYHW-UHFFFAOYSA-N 1 0 217.272 0.743 10 0 BCAERO C[C@@H]1[C@H](C)SCCN1[C@@H]1C[NH2+]C[C@H]1O ZINC000253070462 368444570 /nfs/dbraw/zinc/44/45/70/368444570.db2.gz MJXJRNCICJLUGB-UTINFBMNSA-N 1 0 216.350 0.145 10 0 BCAERO COCC[C@@H](C)NC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000081711104 368615896 /nfs/dbraw/zinc/61/58/96/368615896.db2.gz KIKLAYGUMFPIAS-MNOVXSKESA-N 1 0 228.336 0.917 10 0 BCAERO Cc1cc(CNC(=O)[C@@H]2CC[C@@H]([NH3+])C2)no1 ZINC000085012376 368861848 /nfs/dbraw/zinc/86/18/48/368861848.db2.gz SUHYFBDSJUZJCM-RKDXNWHRSA-N 1 0 223.276 0.727 10 0 BCAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1nncn1C ZINC000113266879 368887953 /nfs/dbraw/zinc/88/79/53/368887953.db2.gz CCPMALMBCUTKQK-WDEREUQCSA-N 1 0 235.335 0.484 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)NCCc1cccnc1 ZINC000111267267 368853424 /nfs/dbraw/zinc/85/34/24/368853424.db2.gz PLGRMIIVVWZVOO-ZYHUDNBSSA-N 1 0 233.315 0.596 10 0 BCAERO CCS(=O)(=O)c1ccccc1NC1C[NH2+]C1 ZINC000084417935 368854957 /nfs/dbraw/zinc/85/49/57/368854957.db2.gz KRLROBLCLNTIMO-UHFFFAOYSA-N 1 0 240.328 0.864 10 0 BCAERO COC[C@@H]([NH3+])C(=O)NCc1csc(C)c1C ZINC000399922286 368927673 /nfs/dbraw/zinc/92/76/73/368927673.db2.gz KWFAGWBPMUHOOC-SNVBAGLBSA-N 1 0 242.344 0.955 10 0 BCAERO C[C@H](C[NH3+])C(=O)N[C@H]1CCC[C@H](O)C1 ZINC000054338076 369067846 /nfs/dbraw/zinc/06/78/46/369067846.db2.gz RBXWNXGEWGOTHO-VGMNWLOBSA-N 1 0 200.282 0.001 10 0 BCAERO [NH3+]C[C@@H]1CN(C(=O)CC(F)(F)F)CCO1 ZINC000041058992 181437598 /nfs/dbraw/zinc/43/75/98/181437598.db2.gz ARNMSIKRTVEEHM-ZCFIWIBFSA-N 1 0 226.198 0.125 10 0 BCAERO CC(C)n1ncnc1CN1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631836689 369088737 /nfs/dbraw/zinc/08/87/37/369088737.db2.gz FAQGLYJYHLTUAA-QWRGUYRKSA-N 1 0 237.351 0.886 10 0 BCAERO CCc1nnc(CN2C[C@@H](C)[C@@H](C[NH3+])C2)n1C ZINC000631837375 369094118 /nfs/dbraw/zinc/09/41/18/369094118.db2.gz AWKQDJPWOLVZCL-ZJUUUORDSA-N 1 0 237.351 0.404 10 0 BCAERO [NH3+]CCN1CCc2ccccc2[C@@H]1c1nc[nH]n1 ZINC000616693321 369115431 /nfs/dbraw/zinc/11/54/31/369115431.db2.gz XAYPFLUJXWTDPC-GFCCVEGCSA-N 1 0 243.314 0.711 10 0 BCAERO C[C@]1(C(=O)N2CC[C@H]([NH3+])C2)CCCS1 ZINC000130872554 369122744 /nfs/dbraw/zinc/12/27/44/369122744.db2.gz DINUPDINRIKJLG-WCBMZHEXSA-N 1 0 214.334 0.832 10 0 BCAERO Cn1cc(C[NH2+][C@H]2CCC[C@H](O)C2)nn1 ZINC000054860411 369106103 /nfs/dbraw/zinc/10/61/03/369106103.db2.gz LTKZDQCUNPOZAZ-WPRPVWTQSA-N 1 0 210.281 0.208 10 0 BCAERO OCC[N@@H+]1CCCO[C@H](c2cnco2)C1 ZINC000616678053 369109948 /nfs/dbraw/zinc/10/99/48/369109948.db2.gz DVGCJEKSXQRAGQ-JTQLQIEISA-N 1 0 212.249 0.430 10 0 BCAERO [NH3+]CCN1CCCO[C@H](c2cccnn2)C1 ZINC000616678523 369111101 /nfs/dbraw/zinc/11/11/01/369111101.db2.gz IANHLCVNKRXORO-NSHDSACASA-N 1 0 222.292 0.199 10 0 BCAERO Nc1cccc([C@@H]2CN(CC[NH3+])CCCO2)c1 ZINC000616680138 369111170 /nfs/dbraw/zinc/11/11/70/369111170.db2.gz NRYVFDHTEQGGSK-ZDUSSCGKSA-N 1 0 235.331 0.991 10 0 BCAERO [NH3+]C[C@H](O)Cc1nc2c(s1)COCC2 ZINC000076165846 181450250 /nfs/dbraw/zinc/45/02/50/181450250.db2.gz UCCQAOZXBCSLEJ-ZCFIWIBFSA-N 1 0 214.290 0.078 10 0 BCAERO [NH3+]CCN1c2ccccc2NC[C@@H]1c1cn[nH]n1 ZINC000616690666 369113632 /nfs/dbraw/zinc/11/36/32/369113632.db2.gz BSAWZSBJTBDJFV-GFCCVEGCSA-N 1 0 244.302 0.737 10 0 BCAERO [NH3+]Cc1cc(N2C(=O)CCC2=O)ccc1F ZINC000051635344 181476735 /nfs/dbraw/zinc/47/67/35/181476735.db2.gz NXMMLSSMDGBQLV-UHFFFAOYSA-N 1 0 222.219 0.938 10 0 BCAERO CC1(C)C[C@H]([NH3+])CCN1S(C)(=O)=O ZINC000106887024 369214403 /nfs/dbraw/zinc/21/44/03/369214403.db2.gz WGXSEEWLMRCVOG-SSDOTTSWSA-N 1 0 206.311 0.148 10 0 BCAERO CC(C)(C)OC(=O)N[C@H]1CCC[NH2+]C[C@@H]1O ZINC000201408695 369389183 /nfs/dbraw/zinc/38/91/83/369389183.db2.gz DDZJRXASCNCWIF-IUCAKERBSA-N 1 0 230.308 0.624 10 0 BCAERO CSC[C@@H]1CCCN1C(=O)[C@@H]1CC[NH2+]C1 ZINC000400013261 369340365 /nfs/dbraw/zinc/34/03/65/369340365.db2.gz XQQIPRRHTBHMLU-ZJUUUORDSA-N 1 0 228.361 0.950 10 0 BCAERO OC1(C[NH2+]CCC[C@H]2CCOC2)CCOCC1 ZINC000400534495 369350577 /nfs/dbraw/zinc/35/05/77/369350577.db2.gz ARXFHEXKWOGSPG-LBPRGKRZSA-N 1 0 243.347 0.934 10 0 BCAERO CCn1cncc1C[NH2+][C@H]1CCOC[C@@H]1O ZINC000623767247 369375730 /nfs/dbraw/zinc/37/57/30/369375730.db2.gz SLIWYKPBKPDRMH-QWRGUYRKSA-N 1 0 225.292 0.142 10 0 BCAERO C[C@@H]1C[C@H](NC(=O)[C@H]2CCC[C@H]([NH3+])C2)CO1 ZINC000402036605 369376471 /nfs/dbraw/zinc/37/64/71/369376471.db2.gz GWBKDHMINQHRGF-RCWTZXSCSA-N 1 0 226.320 0.798 10 0 BCAERO CC[C@@H]1C[C@H]([NH2+][C@H]2CCOC[C@@H]2O)CO1 ZINC000623767333 369376875 /nfs/dbraw/zinc/37/68/75/369376875.db2.gz UICGLWMNDMVTGJ-VLEAKVRGSA-N 1 0 215.293 0.293 10 0 BCAERO O[C@@H]1COCC[C@@H]1[NH2+]C[C@@H]1CCSC1 ZINC000623767267 369377047 /nfs/dbraw/zinc/37/70/47/369377047.db2.gz SSBRVPSIXRKRLT-LPEHRKFASA-N 1 0 217.334 0.479 10 0 BCAERO C=Cn1cc(C[NH2+][C@@H]2CCOC[C@@H]2O)cn1 ZINC000623767533 369397273 /nfs/dbraw/zinc/39/72/73/369397273.db2.gz XPLSPGHKIMIYMZ-MNOVXSKESA-N 1 0 223.276 0.223 10 0 BCAERO CC(C)(C)C(=O)N1CC[C@H]2OCC[NH2+][C@H]2C1 ZINC000403997805 369417468 /nfs/dbraw/zinc/41/74/68/369417468.db2.gz GVFMXPCNIJHYKI-VHSXEESVSA-N 1 0 226.320 0.622 10 0 BCAERO CC(C)[C@H](C)C(=O)N1CC[C@H]2OCC[NH2+][C@@H]2C1 ZINC000403999628 369417685 /nfs/dbraw/zinc/41/76/85/369417685.db2.gz MLQXBERXMMQMEU-QJPTWQEYSA-N 1 0 240.347 0.868 10 0 BCAERO O=C(C1CCC1)N1CC[C@H]2OCC[NH2+][C@@H]2C1 ZINC000404089611 369419180 /nfs/dbraw/zinc/41/91/80/369419180.db2.gz VWUAGWGKAQLNOG-GHMZBOCLSA-N 1 0 224.304 0.376 10 0 BCAERO Cc1cc(CN2CC[C@H]3OCC[NH2+][C@H]3C2)no1 ZINC000404201949 369422879 /nfs/dbraw/zinc/42/28/79/369422879.db2.gz QCKFUDPQIDGHJD-NWDGAFQWSA-N 1 0 237.303 0.546 10 0 BCAERO [NH3+]Cc1ccc(CC(=O)N[C@H]2CCCOC2)cc1 ZINC000104120414 181482254 /nfs/dbraw/zinc/48/22/54/181482254.db2.gz ZXNMQKYPAQYSCV-ZDUSSCGKSA-N 1 0 248.326 0.983 10 0 BCAERO [NH3+]Cc1ccc(O[C@@H]2CCOC2=O)cc1 ZINC000037698879 181485939 /nfs/dbraw/zinc/48/59/39/181485939.db2.gz FUHSSOJHAYGXFL-SNVBAGLBSA-N 1 0 207.229 0.840 10 0 BCAERO [NH3+]Cc1ccc([C@@H](O)Cn2cncn2)cc1 ZINC000035727616 181487039 /nfs/dbraw/zinc/48/70/39/181487039.db2.gz HCFVKZNZVGMVHV-NSHDSACASA-N 1 0 218.260 0.470 10 0 BCAERO COC[C@H](NC(=O)[C@@]1(C)CCC[NH2+]1)C1CC1 ZINC000157935634 326300456 /nfs/dbraw/zinc/30/04/56/326300456.db2.gz RDXHOUAVXKAQIU-CMPLNLGQSA-N 1 0 226.320 0.670 10 0 BCAERO CC1CC(C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000309540715 370224549 /nfs/dbraw/zinc/22/45/49/370224549.db2.gz YEXAHHDNCDSDNT-HWACXVBKSA-N 1 0 208.305 0.710 10 0 BCAERO OCCN1CCC[C@@H]([NH2+]Cc2ccco2)C1 ZINC000309657124 370240924 /nfs/dbraw/zinc/24/09/24/370240924.db2.gz WHIHZPOSDZMPLF-LLVKDONJSA-N 1 0 224.304 0.826 10 0 BCAERO Cc1cc(C[NH2+][C@@H]2CCOC[C@@H]2O)ccn1 ZINC000623768359 370255323 /nfs/dbraw/zinc/25/53/23/370255323.db2.gz SZJHTZBQDVCBRL-NEPJUHHUSA-N 1 0 222.288 0.629 10 0 BCAERO Cc1nccnc1C[NH2+][C@@H]1CCC(=O)N[C@@H]1C ZINC000621351119 370287755 /nfs/dbraw/zinc/28/77/55/370287755.db2.gz FYFBBOOSZLLECN-NXEZZACHSA-N 1 0 234.303 0.542 10 0 BCAERO C[C@@H]1CC[N@@H+]([C@@H]2CCC[C@H]2O)C[C@H]1CO ZINC000621373214 370311266 /nfs/dbraw/zinc/31/12/66/370311266.db2.gz FAQBAKIZAWMEAV-WRWGMCAJSA-N 1 0 213.321 0.850 10 0 BCAERO COC(=O)c1cnc(C2=CC[N@H+](C)CC2)cn1 ZINC000113032406 370372560 /nfs/dbraw/zinc/37/25/60/370372560.db2.gz LQTSAOSCHRWBTR-UHFFFAOYSA-N 1 0 233.271 0.982 10 0 BCAERO CC1CC(CNC(=O)[C@H]2C[C@H](F)C[NH2+]2)C1 ZINC000621672783 370424092 /nfs/dbraw/zinc/42/40/92/370424092.db2.gz STEAIKWDWINLHD-HORUIINNSA-N 1 0 214.284 0.849 10 0 BCAERO O=C(NCC[C@H]1CC1(F)F)[C@H]1C[NH2+]CCOC1 ZINC000621675041 370426853 /nfs/dbraw/zinc/42/68/53/370426853.db2.gz MIYDJRYSNDPHRS-IUCAKERBSA-N 1 0 248.273 0.384 10 0 BCAERO C[NH+](C)[C@@H]1CCN(CC(=O)OC(C)(C)C)C1 ZINC000312980314 370557673 /nfs/dbraw/zinc/55/76/73/370557673.db2.gz PSQTXTUVWXQRSM-SNVBAGLBSA-N 1 0 228.336 0.964 10 0 BCAERO O=C(NC[C@H]1CCn2ccnc2C1)c1ccon1 ZINC000328619095 371130586 /nfs/dbraw/zinc/13/05/86/371130586.db2.gz FKFDQQDNUWWUAM-VIFPVBQESA-N 1 0 246.270 0.864 10 0 BCAERO COC[C@H](C)[NH2+][C@H]1CCc2nnc(C)n2C1 ZINC000390410495 371200411 /nfs/dbraw/zinc/20/04/11/371200411.db2.gz DRFDZPIEIVYCST-WPRPVWTQSA-N 1 0 224.308 0.526 10 0 BCAERO [NH3+][C@@H](Cc1ccccn1)[C@@H]1COCCO1 ZINC000055302416 181558965 /nfs/dbraw/zinc/55/89/65/181558965.db2.gz KEQIBBIAQSWVGY-QWRGUYRKSA-N 1 0 208.261 0.367 10 0 BCAERO COC[C@@H](C)[NH2+]CC(=O)NCc1cccs1 ZINC000390659285 371225426 /nfs/dbraw/zinc/22/54/26/371225426.db2.gz RTBCMHGGDNBFPX-SECBINFHSA-N 1 0 242.344 0.989 10 0 BCAERO [NH3+][C@@H]1CCCCC[C@@H]1NC(=O)c1ccc[nH]c1=O ZINC000063211667 181571808 /nfs/dbraw/zinc/57/18/08/181571808.db2.gz MHJAAZDKMVXJCP-MNOVXSKESA-N 1 0 249.314 0.765 10 0 BCAERO [NH3+][C@@H]1CCCC[C@@H]1NC(=O)c1ccc(=O)[nH]c1 ZINC000038049175 181575010 /nfs/dbraw/zinc/57/50/10/181575010.db2.gz QRHVCNIAOHBFMN-ZJUUUORDSA-N 1 0 235.287 0.375 10 0 BCAERO [NH3+][C@@H]1CCC[C@H](C(=O)NCCn2cccn2)C1 ZINC000070577802 181583662 /nfs/dbraw/zinc/58/36/62/181583662.db2.gz ZBCMANPPANHGPK-WDEREUQCSA-N 1 0 236.319 0.517 10 0 BCAERO [NH3+][C@@H]1C[C@H]1NS(=O)(=O)c1ccc(F)cc1F ZINC000036264873 181601323 /nfs/dbraw/zinc/60/13/23/181601323.db2.gz WHHQNQRWYDUMNJ-HTQZYQBOSA-N 1 0 248.254 0.343 10 0 BCAERO [NH3+][C@H]1CCCC[C@@H]1C(=O)N1CCCOCC1 ZINC000061940190 181639618 /nfs/dbraw/zinc/63/96/18/181639618.db2.gz GCOLIBNVTABPIE-QWRGUYRKSA-N 1 0 226.320 0.753 10 0 BCAERO [NH3+][C@H]1CCCC[C@@H]1N1C(=O)c2ccncc2C1=O ZINC000104192871 181641680 /nfs/dbraw/zinc/64/16/80/181641680.db2.gz KQIFKDVQXNGZGB-QWRGUYRKSA-N 1 0 245.282 0.948 10 0 BCAERO [NH3+][C@H]1CCC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2O)C1 ZINC000055088301 181645517 /nfs/dbraw/zinc/64/55/17/181645517.db2.gz AAIRHZPDFCORJV-WRWGMCAJSA-N 1 0 240.347 0.924 10 0 BCAERO C[C@H]([NH2+][C@@H]1CCOC[C@@H]1O)c1nccs1 ZINC000624236555 371421491 /nfs/dbraw/zinc/42/14/91/371421491.db2.gz FJQYZULZLYYBST-YIZRAAEISA-N 1 0 228.317 0.944 10 0 BCAERO COCC[C@H](C)[NH2+][C@@H]1CCOC[C@@H]1O ZINC000624236424 371423325 /nfs/dbraw/zinc/42/33/25/371423325.db2.gz CEHWDUMDNISOPC-AEJSXWLSSA-N 1 0 203.282 0.151 10 0 BCAERO C[C@@H]1C[C@H]([NH2+][C@@H]2CCOC[C@@H]2O)CCN1C ZINC000624236639 371424121 /nfs/dbraw/zinc/42/41/21/371424121.db2.gz HEHSZGVQWXEMCX-KKOKHZNYSA-N 1 0 228.336 0.209 10 0 BCAERO C[C@H]([NH2+][C@H]1CCOC[C@H]1O)c1ccncc1 ZINC000624237407 371424640 /nfs/dbraw/zinc/42/46/40/371424640.db2.gz WRNFSKMLYTVGMO-ZMLRMANQSA-N 1 0 222.288 0.882 10 0 BCAERO CCO[C@@H]1C[C@H]([NH2+][C@H]2CCOC[C@H]2O)C1(C)C ZINC000624237480 371424920 /nfs/dbraw/zinc/42/49/20/371424920.db2.gz YPQJHBMBDNMZSQ-WHOHXGKFSA-N 1 0 243.347 0.929 10 0 BCAERO C[C@H]1C[C@@H](C(=O)NC(C)(C)C[NH3+])CO1 ZINC000161781285 371564116 /nfs/dbraw/zinc/56/41/16/371564116.db2.gz WGDRANHAXBLLKY-JGVFFNPUSA-N 1 0 200.282 0.265 10 0 BCAERO [NH2+]=C1NC[C@@H](c2cncs2)N1C1CC1 ZINC000161836194 371570531 /nfs/dbraw/zinc/57/05/31/371570531.db2.gz OCFCDFKXCFHHAO-ZETCQYMHSA-N 1 0 208.290 0.977 10 0 BCAERO Nc1n[nH]c(C[C@H]([NH3+])c2ccccc2)n1 ZINC000041050708 181782202 /nfs/dbraw/zinc/78/22/02/181782202.db2.gz DIJLHXQURYUIBT-QMMMGPOBSA-N 1 0 203.249 0.629 10 0 BCAERO Cn1cc(CC(=O)[C@H]2CC[C@@H]([NH3+])C2)cn1 ZINC000226603037 371704899 /nfs/dbraw/zinc/70/48/99/371704899.db2.gz GOKKXQZBFAYGJB-VHSXEESVSA-N 1 0 207.277 0.659 10 0 BCAERO [NH3+]C[C@@H]1CC[C@H](C(=O)c2cnccn2)O1 ZINC000226647857 371714650 /nfs/dbraw/zinc/71/46/50/371714650.db2.gz PFUABCRAKKPXAM-IONNQARKSA-N 1 0 207.233 0.166 10 0 BCAERO CC(C)([NH3+])[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000216225649 371722873 /nfs/dbraw/zinc/72/28/73/371722873.db2.gz VLTNUHCEZWLJPL-SSDOTTSWSA-N 1 0 206.311 0.005 10 0 BCAERO C[C@@H]([NH3+])C[C@H]1CCCCN1S(C)(=O)=O ZINC000216236094 371724405 /nfs/dbraw/zinc/72/44/05/371724405.db2.gz FSNOVFKINJBCEZ-RKDXNWHRSA-N 1 0 220.338 0.538 10 0 BCAERO CC[C@H](C[NH3+])N1CCCCS1(=O)=O ZINC000162651379 371740431 /nfs/dbraw/zinc/74/04/31/371740431.db2.gz FMUVZAZOWYOBIQ-MRVPVSSYSA-N 1 0 206.311 0.149 10 0 BCAERO CCOC(=O)[C@]1(O)CC[N@H+](C)[C@@H](C)C1 ZINC000226850552 371752852 /nfs/dbraw/zinc/75/28/52/371752852.db2.gz JVVSVYAQCCPGKE-WPRPVWTQSA-N 1 0 201.266 0.395 10 0 BCAERO C[C@H]([NH3+])[C@@H](N1CC[C@@H](O)C1)C(F)(F)F ZINC000227052272 371776054 /nfs/dbraw/zinc/77/60/54/371776054.db2.gz DDYBMVSYLMXAFL-RRKCRQDMSA-N 1 0 212.215 0.331 10 0 BCAERO O=C(Nc1cc(Cl)ccn1)C1C[NH2+]C1 ZINC000230073145 371822794 /nfs/dbraw/zinc/82/27/94/371822794.db2.gz MYNOHOIKGNXFSR-UHFFFAOYSA-N 1 0 211.652 0.893 10 0 BCAERO COC[C@@H]([NH3+])CCNC(=O)OC(C)(C)C ZINC000230117968 371854455 /nfs/dbraw/zinc/85/44/55/371854455.db2.gz DAPBWKICZPVXTK-QMMMGPOBSA-N 1 0 218.297 0.875 10 0 BCAERO COC[C@H]([NH3+])CCNC(=O)OC(C)(C)C ZINC000230117971 371855633 /nfs/dbraw/zinc/85/56/33/371855633.db2.gz DAPBWKICZPVXTK-MRVPVSSYSA-N 1 0 218.297 0.875 10 0 BCAERO Nn1cnnc1SCC[C@H]1CCC[NH2+]C1 ZINC000051920525 181823405 /nfs/dbraw/zinc/82/34/05/181823405.db2.gz FILBHPRMIMZAPO-MRVPVSSYSA-N 1 0 227.337 0.474 10 0 BCAERO CC(C)(C)OC(=O)NC(C)(C)CNC1C[NH2+]C1 ZINC000227711298 371925315 /nfs/dbraw/zinc/92/53/15/371925315.db2.gz LPORNQIJVKWSTH-UHFFFAOYSA-N 1 0 243.351 0.851 10 0 BCAERO C[C@H]([NH3+])[C@H]1CN(CC(F)(F)F)CCO1 ZINC000133321397 372022528 /nfs/dbraw/zinc/02/25/28/372022528.db2.gz HXDWYJLBHITOMP-NKWVEPMBSA-N 1 0 212.215 0.597 10 0 BCAERO COc1ncc([C@@H](O)[C@H]2CCC[NH2+]2)s1 ZINC000306551513 372035341 /nfs/dbraw/zinc/03/53/41/372035341.db2.gz FRUYYMJTZSMGSR-SVRRBLITSA-N 1 0 214.290 0.937 10 0 BCAERO NC1=NC(=O)N(Cc2ccccc2)[C@@]12CC[NH2+]C2 ZINC000306562236 372037572 /nfs/dbraw/zinc/03/75/72/372037572.db2.gz CEUWQLPNNUCLFN-CYBMUJFWSA-N 1 0 244.298 0.712 10 0 BCAERO C[C@](O)(c1cnc(N)s1)[C@@H]1CC[NH2+]C1 ZINC000306587264 372040189 /nfs/dbraw/zinc/04/01/89/372040189.db2.gz UQVOSLOPYOSVSM-HZGVNTEJSA-N 1 0 213.306 0.542 10 0 BCAERO [NH3+][C@H]1CC(=O)N(C[C@H]2CCSC2)C1 ZINC000228602882 372054319 /nfs/dbraw/zinc/05/43/19/372054319.db2.gz NAGOYMVNAYPZAW-SFYZADRCSA-N 1 0 200.307 0.299 10 0 BCAERO C[C@@H](CNCC[NH3+])N(C)C(=O)OC(C)(C)C ZINC000306678578 372054872 /nfs/dbraw/zinc/05/48/72/372054872.db2.gz AOIXWCRVBWFDGG-VIFPVBQESA-N 1 0 231.340 0.790 10 0 BCAERO CC[C@@H]([NH3+])C(=O)N1CCCOC[C@H]1C ZINC000306691750 372056107 /nfs/dbraw/zinc/05/61/07/372056107.db2.gz QNYFVIDONUMTRT-RKDXNWHRSA-N 1 0 200.282 0.361 10 0 BCAERO [NH3+][C@H]1CCCN(C[C@@H]2CCSC2)C1=O ZINC000228613864 372056897 /nfs/dbraw/zinc/05/68/97/372056897.db2.gz PGVUIEHTOUFUEF-IUCAKERBSA-N 1 0 214.334 0.689 10 0 BCAERO O=[S@@](C[C@H]1C[NH2+]CCO1)C1CCCC1 ZINC000307276136 372106507 /nfs/dbraw/zinc/10/65/07/372106507.db2.gz USPHBSILSBXULQ-OTYXRUKQSA-N 1 0 217.334 0.666 10 0 BCAERO [NH3+][C@@H](Cc1cncs1)[C@@H]1COCCO1 ZINC000133765560 372107518 /nfs/dbraw/zinc/10/75/18/372107518.db2.gz AKPKJCPMQUSTGF-IUCAKERBSA-N 1 0 214.290 0.428 10 0 BCAERO [NH3+][C@@H](Cc1cncs1)[C@H]1COCCO1 ZINC000133765980 372107843 /nfs/dbraw/zinc/10/78/43/372107843.db2.gz AKPKJCPMQUSTGF-DTWKUNHWSA-N 1 0 214.290 0.428 10 0 BCAERO CN1CCN(C(=[NH2+])NCc2ccccc2)CC1 ZINC000307323287 372111420 /nfs/dbraw/zinc/11/14/20/372111420.db2.gz DBHFQXIBYCGPJV-UHFFFAOYSA-N 1 0 232.331 0.958 10 0 BCAERO C[C@H](CN1CC[NH2+]C[C@@H](C)C1)[S@@](C)=O ZINC000228655230 372064373 /nfs/dbraw/zinc/06/43/73/372064373.db2.gz DWRMGNVRGNATGG-GPCCPHFNSA-N 1 0 218.366 0.295 10 0 BCAERO C[C@@H]1CCSC(NCCC(N)=O)=[NH+]1 ZINC000133505035 372066057 /nfs/dbraw/zinc/06/60/57/372066057.db2.gz PIBWJQIGLKKDAM-ZCFIWIBFSA-N 1 0 201.295 0.333 10 0 BCAERO C[C@@H]1[C@H]([C@H]2CC[NH2+]C2)CCS1(=O)=O ZINC000306779281 372067264 /nfs/dbraw/zinc/06/72/64/372067264.db2.gz VJCYPVSOVOQMAM-HRDYMLBCSA-N 1 0 203.307 0.419 10 0 BCAERO C[C@@H]1[C@@H]([C@@H]2CC[NH2+]C2)CCS1(=O)=O ZINC000306779280 372067572 /nfs/dbraw/zinc/06/75/72/372067572.db2.gz VJCYPVSOVOQMAM-HLTSFMKQSA-N 1 0 203.307 0.419 10 0 BCAERO CC1(NS(=O)(=O)[C@@H]2CC[NH2+]C2)CCC1 ZINC000228941512 372091022 /nfs/dbraw/zinc/09/10/22/372091022.db2.gz HWMXYPIEEXVXES-MRVPVSSYSA-N 1 0 218.322 0.210 10 0 BCAERO C[C@@H]1CCSC(NCCNC(N)=O)=[NH+]1 ZINC000133747291 372100198 /nfs/dbraw/zinc/10/01/98/372100198.db2.gz ATFPDWPXCONTLF-ZCFIWIBFSA-N 1 0 216.310 0.126 10 0 BCAERO C[NH2+]C1(CC(N)=O)C[C@@H](C)O[C@H](C)C1 ZINC000133747497 372100673 /nfs/dbraw/zinc/10/06/73/372100673.db2.gz UKLTUWKUAUFBGP-HTQZYQBOSA-N 1 0 200.282 0.407 10 0 BCAERO C[C@H]1CCSC(NCCNC(N)=O)=[NH+]1 ZINC000133747471 372101077 /nfs/dbraw/zinc/10/10/77/372101077.db2.gz ATFPDWPXCONTLF-LURJTMIESA-N 1 0 216.310 0.126 10 0 BCAERO C[NH2+][C@H](C)C(=O)NCCCCSC ZINC000229267268 372134749 /nfs/dbraw/zinc/13/47/49/372134749.db2.gz QNDMOZSZALMBRC-MRVPVSSYSA-N 1 0 204.339 0.854 10 0 BCAERO C[NH2+]C(C)(C)C(=O)N[C@@]1(C)CCOC1 ZINC000229464057 372154211 /nfs/dbraw/zinc/15/42/11/372154211.db2.gz MXJFZEDIJSKZLT-JTQLQIEISA-N 1 0 200.282 0.280 10 0 BCAERO Cn1cc(C[NH3+])c(NC(=O)C(F)(F)F)n1 ZINC000229555127 372163874 /nfs/dbraw/zinc/16/38/74/372163874.db2.gz GLFRAWYGJPNAHZ-UHFFFAOYSA-N 1 0 222.170 0.380 10 0 BCAERO C([C@@H]1CSCCS1)N1CC[NH2+]CC1 ZINC000229613487 372172835 /nfs/dbraw/zinc/17/28/35/372172835.db2.gz GDMQBTQYGGUFFD-SECBINFHSA-N 1 0 218.391 0.740 10 0 BCAERO Nc1cc[nH+]cc1[C@H](O)c1csnn1 ZINC000307536639 372127303 /nfs/dbraw/zinc/12/73/03/372127303.db2.gz PVRZUWAHEGFBNP-QMMMGPOBSA-N 1 0 208.246 0.597 10 0 BCAERO [NH3+][C@@H]1CN(C[C@H]2CSCCS2)C1=O ZINC000229667060 372179584 /nfs/dbraw/zinc/17/95/84/372179584.db2.gz JKZLBHKXBNBNHR-NKWVEPMBSA-N 1 0 218.347 0.005 10 0 BCAERO O=C(CC1CC[NH2+]CC1)NC[C@@H]1CCOC1 ZINC000038075584 181895753 /nfs/dbraw/zinc/89/57/53/181895753.db2.gz IMQFOMXUQURVAB-NSHDSACASA-N 1 0 226.320 0.529 10 0 BCAERO C[C@@H]1COCC[C@@H]1[NH2+][C@@H]1COCC[C@H]1O ZINC000631750399 372550982 /nfs/dbraw/zinc/55/09/82/372550982.db2.gz CWIOBFWGXFMRMX-LMLFDSFASA-N 1 0 215.293 0.151 10 0 BCAERO Cc1nccnc1CN1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC000631829204 372611771 /nfs/dbraw/zinc/61/17/71/372611771.db2.gz KCCOGTCMAVQREZ-STQMWFEESA-N 1 0 248.330 0.348 10 0 BCAERO CC(C)n1ncnc1CN1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631836688 372625300 /nfs/dbraw/zinc/62/53/00/372625300.db2.gz FAQGLYJYHLTUAA-MNOVXSKESA-N 1 0 237.351 0.886 10 0 BCAERO C[C@H]1CN(CC(=O)NCC2CC2)C[C@H]1C[NH3+] ZINC000631837592 372630400 /nfs/dbraw/zinc/63/04/00/372630400.db2.gz DBNJILZRRVXBDG-GXSJLCMTSA-N 1 0 225.336 0.039 10 0 BCAERO Cc1nc(CN2C[C@@H](C)[C@@H](C[NH3+])C2)no1 ZINC000631838766 372634735 /nfs/dbraw/zinc/63/47/35/372634735.db2.gz UXSOIUYCCWHUMX-APPZFPTMSA-N 1 0 210.281 0.405 10 0 BCAERO C[C@@H]1CN(Cc2nnnn2C2CC2)C[C@@H]1C[NH3+] ZINC000631841753 372638591 /nfs/dbraw/zinc/63/85/91/372638591.db2.gz PGHZMSXDDCVPMR-BDAKNGLRSA-N 1 0 236.323 0.035 10 0 BCAERO CCc1noc(CN2C[C@@H](C)[C@@H](C[NH3+])C2)n1 ZINC000631841843 372638697 /nfs/dbraw/zinc/63/86/97/372638697.db2.gz QRCJNDVIRHAVSK-BDAKNGLRSA-N 1 0 224.308 0.659 10 0 BCAERO C[C@@H]1CN(Cc2cncn2C)C[C@@H]1C[NH3+] ZINC000631841112 372639009 /nfs/dbraw/zinc/63/90/09/372639009.db2.gz YBICLHDWAHARBK-ZJUUUORDSA-N 1 0 208.309 0.447 10 0 BCAERO CC(C)CNC(=O)CN1C[C@H](C)[C@H](C[NH3+])C1 ZINC000631842772 372641159 /nfs/dbraw/zinc/64/11/59/372641159.db2.gz FOGDYAIWXLPJGW-WDEREUQCSA-N 1 0 227.352 0.285 10 0 BCAERO C[C@@H]1CN(CC(=O)NC(C)(C)C)C[C@@H]1C[NH3+] ZINC000631843907 372643748 /nfs/dbraw/zinc/64/37/48/372643748.db2.gz UATAWGLOTURIFR-ZJUUUORDSA-N 1 0 227.352 0.428 10 0 BCAERO [NH3+][C@@H](Cc1ccccc1)C(=O)N1CCC1 ZINC000038529150 372693872 /nfs/dbraw/zinc/69/38/72/372693872.db2.gz JWINHUHAPZPKMI-NSHDSACASA-N 1 0 204.273 0.789 10 0 BCAERO O=C(CO[C@@H]1CCC[NH2+]C1)c1ccc[nH]1 ZINC000095072821 181999689 /nfs/dbraw/zinc/99/96/89/181999689.db2.gz ZFUXWGXCIKSHQL-SECBINFHSA-N 1 0 208.261 0.966 10 0 BCAERO O=C(COc1cccc(F)c1)N1CC[NH2+]CC1 ZINC000019518447 182002006 /nfs/dbraw/zinc/00/20/06/182002006.db2.gz NMZNCQFSJFCEDF-UHFFFAOYSA-N 1 0 238.262 0.636 10 0 BCAERO O=C(CSc1ccccn1)N1CC[NH2+]CC1 ZINC000043402895 182011002 /nfs/dbraw/zinc/01/10/02/182011002.db2.gz JUHHYNWXIFEMCU-UHFFFAOYSA-N 1 0 237.328 0.606 10 0 BCAERO O=C(CSc1nncs1)N1CC[NH2+]CC1 ZINC000043402826 182012334 /nfs/dbraw/zinc/01/23/34/182012334.db2.gz YPWQGWCUKWHCDL-UHFFFAOYSA-N 1 0 244.345 0.062 10 0 BCAERO O=C(C[C@@H]1CCCC[NH2+]1)NC[C@H]1COCCO1 ZINC000038063073 182016038 /nfs/dbraw/zinc/01/60/38/182016038.db2.gz XYHVMOVBTOBOOL-QWRGUYRKSA-N 1 0 242.319 0.050 10 0 BCAERO O=C(C[C@H]1CCC[NH2+]1)N1CCC[C@H](O)C1 ZINC000048756116 182026815 /nfs/dbraw/zinc/02/68/15/182026815.db2.gz NWSVHNYPRHPDDN-ZJUUUORDSA-N 1 0 212.293 0.112 10 0 BCAERO O=C(C[C@H]1CCC[NH2+]1)N1CCC(CO)CC1 ZINC000042165932 182027486 /nfs/dbraw/zinc/02/74/86/182027486.db2.gz WIPHUHUSTSSSCU-LLVKDONJSA-N 1 0 226.320 0.359 10 0 BCAERO O=C(C[C@H]1CCC[NH2+]C1)NCc1cn[nH]c1 ZINC000054308292 182028343 /nfs/dbraw/zinc/02/83/43/182028343.db2.gz SNBNEARBFWSHLZ-SECBINFHSA-N 1 0 222.292 0.416 10 0 BCAERO O=C(C[C@H]1CCC[NH2+]C1)NC1CCOCC1 ZINC000054290951 182028419 /nfs/dbraw/zinc/02/84/19/182028419.db2.gz MZQXNGVBOCRMKR-SNVBAGLBSA-N 1 0 226.320 0.671 10 0 BCAERO O=C(Cc1ccccc1)N[C@@H]1CC[NH2+]C1 ZINC000036286705 182044483 /nfs/dbraw/zinc/04/44/83/182044483.db2.gz DXLHNFXYCUGDNF-LLVKDONJSA-N 1 0 204.273 0.707 10 0 BCAERO O=C(Cc1ccccn1)NCC1CC[NH2+]CC1 ZINC000044503609 182046572 /nfs/dbraw/zinc/04/65/72/182046572.db2.gz YBBYHVIJSRFZKJ-UHFFFAOYSA-N 1 0 233.315 0.740 10 0 BCAERO C[C@@H]1C[NH2+]C[C@@H](C)N1S(=O)(=O)C(F)F ZINC000068913878 373084444 /nfs/dbraw/zinc/08/44/44/373084444.db2.gz DGDBHNCRRNPRSB-PHDIDXHHSA-N 1 0 228.264 0.221 10 0 BCAERO O=C(Cn1cccn1)N1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000051358120 182068191 /nfs/dbraw/zinc/06/81/91/182068191.db2.gz SEIXPKSTUDGFHG-VXGBXAGGSA-N 1 0 248.330 0.626 10 0 BCAERO Cn1nccc1[C@@](O)(C[NH3+])C(F)(F)F ZINC000069021624 373106495 /nfs/dbraw/zinc/10/64/95/373106495.db2.gz XKYYJZNREMASNA-LURJTMIESA-N 1 0 209.171 0.129 10 0 BCAERO O=C(NC1CCC(O)CC1)[C@@H]1CCC[NH2+]1 ZINC000019409443 182102683 /nfs/dbraw/zinc/10/26/83/182102683.db2.gz JLPKNZFVNCISFD-RTBKNWGFSA-N 1 0 212.293 0.158 10 0 BCAERO CCOC(=O)[C@]1([NH3+])CCOC(C)(C)C1 ZINC000069543663 373448452 /nfs/dbraw/zinc/44/84/52/373448452.db2.gz HNKHOLRFLNYHCR-JTQLQIEISA-N 1 0 201.266 0.836 10 0 BCAERO CCNC(=O)CC[NH2+][C@H](CCO)C(C)(C)C ZINC000183671738 205682706 /nfs/dbraw/zinc/68/27/06/205682706.db2.gz ZYCYZGCPIWEDAB-SNVBAGLBSA-N 1 0 230.352 0.899 10 0 BCAERO O=C(NCC1CCCC1)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000037258720 182145022 /nfs/dbraw/zinc/14/50/22/182145022.db2.gz UOFJEICPNPKFGV-ZJUUUORDSA-N 1 0 212.293 0.016 10 0 BCAERO O=C(NCCC(F)(F)F)[C@@H]1CC[NH2+]C1 ZINC000063100908 182149296 /nfs/dbraw/zinc/14/92/96/182149296.db2.gz RMKATGFFHTVPLD-ZCFIWIBFSA-N 1 0 210.199 0.665 10 0 BCAERO CC(C)S(=O)(=O)N1CC[C@H](C)[C@@H]([NH3+])C1 ZINC000069719605 373647043 /nfs/dbraw/zinc/64/70/43/373647043.db2.gz XSNADDXJCMXAAI-IUCAKERBSA-N 1 0 220.338 0.394 10 0 BCAERO CC(C)S(=O)(=O)N1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC000069719604 373647052 /nfs/dbraw/zinc/64/70/52/373647052.db2.gz XSNADDXJCMXAAI-BDAKNGLRSA-N 1 0 220.338 0.394 10 0 BCAERO CS(=O)(=O)CC[C@@H]1CCCCC[NH2+]1 ZINC000069841792 373852864 /nfs/dbraw/zinc/85/28/64/373852864.db2.gz ZDEBZLVQMFNNGD-VIFPVBQESA-N 1 0 205.323 0.953 10 0 BCAERO CC(C)C[C@H]([NH3+])C(=O)N(C)C[C@H]1CCCO1 ZINC000042465790 205818807 /nfs/dbraw/zinc/81/88/07/205818807.db2.gz VUPGLSZDXZNQHK-MNOVXSKESA-N 1 0 228.336 0.997 10 0 BCAERO O=C(NCCOCC1CC1)[C@@H]1CC[NH2+]C1 ZINC000226326534 182196516 /nfs/dbraw/zinc/19/65/16/182196516.db2.gz CZGOUHHFKZWBLO-SNVBAGLBSA-N 1 0 212.293 0.139 10 0 BCAERO CC(C)[NH2+][C@]1(C(N)=O)CCO[C@@H](C)C1 ZINC000069893133 373970231 /nfs/dbraw/zinc/97/02/31/373970231.db2.gz RUGIVQZLGMVHKM-WCBMZHEXSA-N 1 0 200.282 0.407 10 0 BCAERO CC(C)[NH2+][C@]1(C(N)=O)CCOC(C)(C)C1 ZINC000069893135 373970899 /nfs/dbraw/zinc/97/08/99/373970899.db2.gz KBLAHNCGEYNGMV-LLVKDONJSA-N 1 0 214.309 0.798 10 0 BCAERO COC(C)(C)CNC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000173917109 374117041 /nfs/dbraw/zinc/11/70/41/374117041.db2.gz LFUCXHGHMOYUII-JTQLQIEISA-N 1 0 243.351 0.757 10 0 BCAERO O=C(NC[C@@H]1CCCCO1)[C@H]1CC[NH2+]C1 ZINC000062116556 182224521 /nfs/dbraw/zinc/22/45/21/182224521.db2.gz RHPNEWOMPJTYHY-UWVGGRQHSA-N 1 0 212.293 0.281 10 0 BCAERO O=C([C@H]1CCSC1)N1CC[NH2+]CC1 ZINC000070435103 374142128 /nfs/dbraw/zinc/14/21/28/374142128.db2.gz KDVCXIDFPJVPLQ-QMMMGPOBSA-N 1 0 200.307 0.171 10 0 BCAERO O=C(NC[C@H]1CCCOC1)[C@H]1CC[NH2+]C1 ZINC000062115459 182241405 /nfs/dbraw/zinc/24/14/05/182241405.db2.gz JKYFIYOWSJLHBT-ZJUUUORDSA-N 1 0 212.293 0.139 10 0 BCAERO COc1ccc([C@H](O)C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000070458366 374143259 /nfs/dbraw/zinc/14/32/59/374143259.db2.gz GELSQVGWXKGRHL-WCQYABFASA-N 1 0 237.299 0.795 10 0 BCAERO CCS(=O)(=O)C/C=C1\CCC[NH2+]C1 ZINC000381872357 374149044 /nfs/dbraw/zinc/14/90/44/374149044.db2.gz YLNVCFKSIPKPHO-WEVVVXLNSA-N 1 0 203.307 0.731 10 0 BCAERO CC(C)[C@H]1CC[C@H](S(N)(=O)=O)C[NH2+]1 ZINC000070632480 374168332 /nfs/dbraw/zinc/16/83/32/374168332.db2.gz CVWAGSZXUORAHX-JGVFFNPUSA-N 1 0 206.311 0.052 10 0 BCAERO O=C(NC[C@H]1CCC[NH2+]1)c1ccc(=O)oc1 ZINC000053253596 182238182 /nfs/dbraw/zinc/23/81/82/182238182.db2.gz ZWRQGVKTIWUVRI-SECBINFHSA-N 1 0 222.244 0.122 10 0 BCAERO O=C(NCc1cccc2c1OCO2)C1C[NH2+]C1 ZINC000091408629 182253854 /nfs/dbraw/zinc/25/38/54/182253854.db2.gz SYYCOXIFHPRYGH-UHFFFAOYSA-N 1 0 234.255 0.251 10 0 BCAERO O=C(NCc1cc[nH]n1)[C@H]1CCC[NH2+]C1 ZINC000041016266 182249009 /nfs/dbraw/zinc/24/90/09/182249009.db2.gz WDPFTRBCZUBJEI-QMMMGPOBSA-N 1 0 208.265 0.026 10 0 BCAERO CON(C)C(=O)[C@]1([NH3+])CCC[C@@H](C)C1 ZINC000070904543 374228082 /nfs/dbraw/zinc/22/80/82/374228082.db2.gz GMMDVDMJHOLCGE-SCZZXKLOSA-N 1 0 200.282 0.914 10 0 BCAERO Cc1nnc(S[C@H]2CCC[NH2+]C2)n1C ZINC000071110104 374250039 /nfs/dbraw/zinc/25/00/39/374250039.db2.gz YMRWNXRXMBZWKI-QMMMGPOBSA-N 1 0 212.322 0.968 10 0 BCAERO Cc1nc(C)c(C[NH2+]C[C@H]2CN(C)CCO2)o1 ZINC000383063646 374272161 /nfs/dbraw/zinc/27/21/61/374272161.db2.gz ODSAILOFFXRTNR-NSHDSACASA-N 1 0 239.319 0.712 10 0 BCAERO CCCCNC(=O)[C@H](C)[NH2+][C@@H](C)C(=O)N(C)C ZINC000042570902 168858532 /nfs/dbraw/zinc/85/85/32/168858532.db2.gz VVTQBCGSIPNDHX-UWVGGRQHSA-N 1 0 243.351 0.358 10 0 BCAERO O=C(N[C@@H]1CCCC[C@@H]1O)[C@@H]1CCC[NH2+]1 ZINC000052009201 182293105 /nfs/dbraw/zinc/29/31/05/182293105.db2.gz AYEMDLZLNSFKDX-UTLUCORTSA-N 1 0 212.293 0.158 10 0 BCAERO O=C(N[C@@H]1CCc2ccccc2C1)C1C[NH2+]C1 ZINC000091412348 182313426 /nfs/dbraw/zinc/31/34/26/182313426.db2.gz MDAJXAJQRZOQBZ-CYBMUJFWSA-N 1 0 230.311 0.880 10 0 BCAERO O=C(N[C@@H]1COc2ccccc21)[C@H]1CC[NH2+]1 ZINC000336596673 182314571 /nfs/dbraw/zinc/31/45/71/182314571.db2.gz BKKNSXISFKTHFA-NXEZZACHSA-N 1 0 218.256 0.598 10 0 BCAERO O=C(N[C@H]1CCCOC1)[C@@H]1CCC[NH2+]C1 ZINC000071023624 182330445 /nfs/dbraw/zinc/33/04/45/182330445.db2.gz AABQEDQVMKMIQG-ZJUUUORDSA-N 1 0 212.293 0.281 10 0 BCAERO CNC(=O)NC(=O)C[NH2+][C@@H](C)c1cccs1 ZINC000194694412 206105537 /nfs/dbraw/zinc/10/55/37/206105537.db2.gz DKCUFEMEBFMXNC-ZETCQYMHSA-N 1 0 241.316 0.854 10 0 BCAERO CCNC(=O)CC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000046502068 170052098 /nfs/dbraw/zinc/05/20/98/170052098.db2.gz YKXMKRGNBRKHRW-UWVGGRQHSA-N 1 0 214.309 0.622 10 0 BCAERO O=C(Nc1cccnc1Cl)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000037019999 182385694 /nfs/dbraw/zinc/38/56/94/182385694.db2.gz GRBBXWKSKVDZGN-SVRRBLITSA-N 1 0 241.678 0.396 10 0 BCAERO O=C(Nc1ccncn1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000194094415 182387730 /nfs/dbraw/zinc/38/77/30/182387730.db2.gz GJPCRNLQXSQEBG-SNVBAGLBSA-N 1 0 247.302 0.789 10 0 BCAERO O=C(Nc1ncc[nH]1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000104200203 182398922 /nfs/dbraw/zinc/39/89/22/182398922.db2.gz VVSGIKGGIBKKQC-QMMMGPOBSA-N 1 0 248.208 0.890 10 0 BCAERO O=C(OCC1CCOCC1)[C@H]1CCC[NH2+]C1 ZINC000052145849 182602080 /nfs/dbraw/zinc/60/20/80/182602080.db2.gz VCOFJUJEEIANQV-NSHDSACASA-N 1 0 227.304 0.956 10 0 BCAERO O=C([C@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)N1CC[C@H](O)C1 ZINC000061712341 182642802 /nfs/dbraw/zinc/64/28/02/182642802.db2.gz SYNDPEHKNKAVHY-FIQHERPVSA-N 1 0 238.331 0.500 10 0 BCAERO O=C([C@H]1CCC[NH2+]1)N1CCCC[C@@H]1CO ZINC000035215868 182635592 /nfs/dbraw/zinc/63/55/92/182635592.db2.gz YYEVABQIHPTHBP-NXEZZACHSA-N 1 0 212.293 0.112 10 0 BCAERO O=C1C[C@@H]([NH2+]CC2CCCCC2)C(=O)N1 ZINC000036853643 182775380 /nfs/dbraw/zinc/77/53/80/182775380.db2.gz GOGBNEAHLSAOCL-SECBINFHSA-N 1 0 210.277 0.571 10 0 BCAERO CCOC(=O)[C@H](N)C[N@H+](CC)[C@@H](C)CC ZINC000222943555 170275209 /nfs/dbraw/zinc/27/52/09/170275209.db2.gz DCWXKDYDSDIDDM-VHSXEESVSA-N 1 0 216.325 0.997 10 0 BCAERO O=C1NCCCN1CC[C@H]1CCCC[NH2+]1 ZINC000043373248 182799894 /nfs/dbraw/zinc/79/98/94/182799894.db2.gz MSKDNIUYLXHMFT-SNVBAGLBSA-N 1 0 211.309 0.934 10 0 BCAERO O=C1NCCC[C@H]1[NH2+]CC1=CCCOC1 ZINC000308863871 182802490 /nfs/dbraw/zinc/80/24/90/182802490.db2.gz DARNBUDYAOEVQS-SNVBAGLBSA-N 1 0 210.277 0.201 10 0 BCAERO O=C1c2ccccc2C(=O)N1CN1CC[NH2+]CC1 ZINC000037399663 182844312 /nfs/dbraw/zinc/84/43/12/182844312.db2.gz LAKLKOONPGFLHC-UHFFFAOYSA-N 1 0 245.282 0.145 10 0 BCAERO O=C1c2cccnc2C(=O)N1[C@@H]1CCC[NH2+]C1 ZINC000071397804 182846534 /nfs/dbraw/zinc/84/65/34/182846534.db2.gz NTBYJOBUBCRFLB-MRVPVSSYSA-N 1 0 231.255 0.430 10 0 BCAERO CCOC1(OCC)CCN(CC[NH3+])CC1 ZINC000039100252 170320401 /nfs/dbraw/zinc/32/04/01/170320401.db2.gz HAPSTDZEYQEMQC-UHFFFAOYSA-N 1 0 216.325 0.810 10 0 BCAERO O=S(=O)(c1ccncc1)[C@H]1CCC[NH2+]C1 ZINC000095073054 182905413 /nfs/dbraw/zinc/90/54/13/182905413.db2.gz SZTRRGOJJIJEFG-JTQLQIEISA-N 1 0 226.301 0.607 10 0 BCAERO O=S1(=O)CCC([NH2+][C@@H]2CCCC[C@H]2O)CC1 ZINC000037691555 182907408 /nfs/dbraw/zinc/90/74/08/182907408.db2.gz JILWUEUQFAVHEX-GHMZBOCLSA-N 1 0 247.360 0.457 10 0 BCAERO O=S1(=O)CCC([NH2+][C@@H]2CCC[C@H](O)C2)CC1 ZINC000037166325 182907598 /nfs/dbraw/zinc/90/75/98/182907598.db2.gz CBWGSWFKGITXNJ-MNOVXSKESA-N 1 0 247.360 0.457 10 0 BCAERO O=S1(=O)CCN(CC[C@@H]2CCCC[NH2+]2)CC1 ZINC000036161982 182909624 /nfs/dbraw/zinc/90/96/24/182909624.db2.gz ONYRCXMLCSCQIO-NSHDSACASA-N 1 0 246.376 0.249 10 0 BCAERO O=S1CCN(CCC[C@H]2CCCC[NH2+]2)CC1 ZINC000050953570 182917284 /nfs/dbraw/zinc/91/72/84/182917284.db2.gz VDVLPEVRCJRNIC-GFCCVEGCSA-N 1 0 244.404 0.973 10 0 BCAERO CCCCS(=O)(=O)NCCCCC[NH3+] ZINC000070626818 168925072 /nfs/dbraw/zinc/92/50/72/168925072.db2.gz HQGQBCJTEBXVTA-UHFFFAOYSA-N 1 0 222.354 0.835 10 0 BCAERO O=[S@@](C[C@@H]1CCC[NH2+]1)c1ccccn1 ZINC000095073532 182963287 /nfs/dbraw/zinc/96/32/87/182963287.db2.gz TZEGAHHJGXRLBD-LKFCYVNXSA-N 1 0 210.302 0.941 10 0 BCAERO O=[S@](C[C@H]1CCC[NH2+]1)c1ncc(F)cn1 ZINC000095072005 182966162 /nfs/dbraw/zinc/96/61/62/182966162.db2.gz TZERVOJFQPKUJG-GLEZIHRCSA-N 1 0 229.280 0.475 10 0 BCAERO O=[S@](c1ncc(Cl)cn1)C1CC[NH2+]CC1 ZINC000095070014 182968268 /nfs/dbraw/zinc/96/82/68/182968268.db2.gz CDCOWDRZEMAGOE-OAHLLOKOSA-N 1 0 245.735 0.990 10 0 BCAERO O=c1[nH]c2cnccc2n1C1CC[NH2+]CC1 ZINC000115473342 182976034 /nfs/dbraw/zinc/97/60/34/182976034.db2.gz JKIPLLDTTZUHSE-UHFFFAOYSA-N 1 0 218.260 0.649 10 0 BCAERO O=c1ccc(CNC2=[NH+]CCS2)c[nH]1 ZINC000083345845 183000140 /nfs/dbraw/zinc/00/01/40/183000140.db2.gz IXGMTKYQSCZCJE-UHFFFAOYSA-N 1 0 209.274 0.567 10 0 BCAERO O=c1ccn(CC[NH2+]C2CCCCC2)c(=O)[nH]1 ZINC000053526598 183003956 /nfs/dbraw/zinc/00/39/56/183003956.db2.gz DPZGYYSEKRQKGS-UHFFFAOYSA-N 1 0 237.303 0.459 10 0 BCAERO O=c1ccnc(S[C@H]2CCC[NH2+]C2)[nH]1 ZINC000043501660 183005914 /nfs/dbraw/zinc/00/59/14/183005914.db2.gz VAIDRXAWZGEFON-ZETCQYMHSA-N 1 0 211.290 0.614 10 0 BCAERO OC1(C[N@@H+]2CC[C@H](N3CCOCC3)C2)CCC1 ZINC000336711502 183017930 /nfs/dbraw/zinc/01/79/30/183017930.db2.gz MSEBOVCQTSSXBQ-LBPRGKRZSA-N 1 0 240.347 0.308 10 0 BCAERO OC1(c2ccc3c(c2)OCO3)CC[NH2+]CC1 ZINC000034439352 183023194 /nfs/dbraw/zinc/02/31/94/183023194.db2.gz GNFZJVBZEUFDSF-UHFFFAOYSA-N 1 0 221.256 0.986 10 0 BCAERO OCC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000037693593 183040778 /nfs/dbraw/zinc/04/07/78/183040778.db2.gz KSXKDTIUPQWJSQ-RYUDHWBXSA-N 1 0 213.321 0.994 10 0 BCAERO OCC[N@H+](C[C@@]1(CO)CCOC1)C1CCCC1 ZINC000051294805 183068204 /nfs/dbraw/zinc/06/82/04/183068204.db2.gz ZDOUKHRSRNULFX-CYBMUJFWSA-N 1 0 243.347 0.622 10 0 BCAERO OCC[NH+](CCO)C[C@H]1Cc2ccccc21 ZINC000085576443 183066829 /nfs/dbraw/zinc/06/68/29/183066829.db2.gz PWVJRWZKCBBWDJ-GFCCVEGCSA-N 1 0 221.300 0.613 10 0 BCAERO OCC[NH+]1CCN(Cc2cc[nH]c2)CC1 ZINC000124973185 183075659 /nfs/dbraw/zinc/07/56/59/183075659.db2.gz RJZRZVFSDCPNRB-UHFFFAOYSA-N 1 0 209.293 0.125 10 0 BCAERO OCCOCC[NH2+]CCN1CCCCC1 ZINC000041626623 183084027 /nfs/dbraw/zinc/08/40/27/183084027.db2.gz ROYIPRNIXMDEKX-UHFFFAOYSA-N 1 0 216.325 0.071 10 0 BCAERO OCCOCC[NH2+][C@H]1CCc2c1cccc2O ZINC000036852550 183086853 /nfs/dbraw/zinc/08/68/53/183086853.db2.gz BMTKQMGUWOGPOC-LBPRGKRZSA-N 1 0 237.299 0.978 10 0 BCAERO OCC[C@H](O)C1C[NH+](Cc2ccccc2)C1 ZINC000095078860 183096738 /nfs/dbraw/zinc/09/67/38/183096738.db2.gz WHSXORPGNZHVNF-ZDUSSCGKSA-N 1 0 221.300 0.862 10 0 BCAERO OC[C@@H](c1ccccc1F)N1CC[NH2+]CC1 ZINC000038120868 183114608 /nfs/dbraw/zinc/11/46/08/183114608.db2.gz NUFHBZVPGHKKJD-LBPRGKRZSA-N 1 0 224.279 0.764 10 0 BCAERO OC[C@@H]1CCC[N@H+](Cc2cnccn2)C1 ZINC000050104483 183117903 /nfs/dbraw/zinc/11/79/03/183117903.db2.gz DOPLEZXAVFGKOT-SNVBAGLBSA-N 1 0 207.277 0.681 10 0 BCAERO CCCC[C@H]([NH3+])C(=O)N1CCC[C@@H]1CO ZINC000042434952 169006127 /nfs/dbraw/zinc/00/61/27/169006127.db2.gz FGJDUHZUFBSPQO-ZJUUUORDSA-N 1 0 214.309 0.487 10 0 BCAERO CCCC[C@H]([NH3+])C(=O)N1CCCC[C@H]1C(N)=O ZINC000037996517 169006299 /nfs/dbraw/zinc/00/62/99/169006299.db2.gz OHZZMIKYCKFETQ-UWVGGRQHSA-N 1 0 241.335 0.370 10 0 BCAERO CCCC[C@H]([NH3+])C(=O)N(CC(=O)OC)C(C)C ZINC000037812948 169006389 /nfs/dbraw/zinc/00/63/89/169006389.db2.gz QQQQQEAPRMGJSH-JTQLQIEISA-N 1 0 244.335 0.914 10 0 BCAERO CCOCC[C@H](O)C[NH2+][C@H](C)[C@H]1CCCO1 ZINC000309676614 170427841 /nfs/dbraw/zinc/42/78/41/170427841.db2.gz YAFGXYZXOWDDNA-GRYCIOLGSA-N 1 0 231.336 0.931 10 0 BCAERO OCc1ccc(CN2CC[NH2+]CC2)cc1 ZINC000076535229 183163222 /nfs/dbraw/zinc/16/32/22/183163222.db2.gz ZOKLAYYYXHQVMQ-UHFFFAOYSA-N 1 0 206.289 0.584 10 0 BCAERO OCc1ccc(C[N@H+]2C[C@H](O)C[C@@H]2CO)cc1 ZINC000185152212 183163951 /nfs/dbraw/zinc/16/39/51/183163951.db2.gz HPRQBESFVHCEDY-CHWSQXEVSA-N 1 0 237.299 0.106 10 0 BCAERO O[C@@H](C[NH2+]C1COC1)c1ccc(F)cc1 ZINC000087195402 183179446 /nfs/dbraw/zinc/17/94/46/183179446.db2.gz NAPRGQBUPKCHAM-NSHDSACASA-N 1 0 211.236 0.848 10 0 BCAERO O[C@@H]1CCCC[C@H]1[NH2+]CCn1ccnc1 ZINC000042541377 183190873 /nfs/dbraw/zinc/19/08/73/183190873.db2.gz LKAAGLVUEUOHIM-GHMZBOCLSA-N 1 0 209.293 0.776 10 0 BCAERO CCCN(CC(=O)OC)C(=O)[C@](C)([NH3+])CCC ZINC000037813089 169100020 /nfs/dbraw/zinc/10/00/20/169100020.db2.gz RIPUWVNGSNCYKR-GFCCVEGCSA-N 1 0 244.335 0.916 10 0 BCAERO CCCN(CC(=O)OC)C(=O)[C@@H]([NH3+])CC(C)C ZINC000037813064 169100303 /nfs/dbraw/zinc/10/03/03/169100303.db2.gz XKDMLXXDHSSAAT-JTQLQIEISA-N 1 0 244.335 0.771 10 0 BCAERO CCCN(CC(=O)OC)C(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000104225639 169100444 /nfs/dbraw/zinc/10/04/44/169100444.db2.gz FHGMOOJVYJCRAT-NXEZZACHSA-N 1 0 242.319 0.254 10 0 BCAERO O[C@H](CN1CC[NH2+]CC1)c1ccccc1F ZINC000019785170 183221581 /nfs/dbraw/zinc/22/15/81/183221581.db2.gz YMFHTJGMEXISGC-GFCCVEGCSA-N 1 0 224.279 0.764 10 0 BCAERO O[C@H](C[NH2+]C1COC1)c1cccc(F)c1 ZINC000087195321 183222518 /nfs/dbraw/zinc/22/25/18/183222518.db2.gz BXUGTZYBUNVRQD-LLVKDONJSA-N 1 0 211.236 0.848 10 0 BCAERO CCCN(CC(=O)OC)C(=O)C[NH2+]CC1CC1 ZINC000037813093 169100784 /nfs/dbraw/zinc/10/07/84/169100784.db2.gz LIHNCPJMWPKYSM-UHFFFAOYSA-N 1 0 242.319 0.398 10 0 BCAERO CCCN(C)S(=O)(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000249390179 169083993 /nfs/dbraw/zinc/08/39/93/169083993.db2.gz BQBTWGWABAOVBB-UWVGGRQHSA-N 1 0 249.380 0.303 10 0 BCAERO CCCN(CC(=O)NC)C(=O)C1([NH3+])CCCC1 ZINC000038101073 169092440 /nfs/dbraw/zinc/09/24/40/169092440.db2.gz MMMIOVPSFYAMMM-UHFFFAOYSA-N 1 0 241.335 0.243 10 0 BCAERO CCCN(CC(=O)NC)C(=O)[C@@H]([NH3+])CC(C)C ZINC000038101017 169094199 /nfs/dbraw/zinc/09/41/99/169094199.db2.gz FLKRWHXPPNKPIS-JTQLQIEISA-N 1 0 243.351 0.344 10 0 BCAERO CCCN(CC(=O)NC)C(=O)[C@H]([NH3+])[C@H](C)CC ZINC000038101026 169094449 /nfs/dbraw/zinc/09/44/49/169094449.db2.gz YIKMTKXIMLMCKA-MWLCHTKSSA-N 1 0 243.351 0.344 10 0 BCAERO CCCN(CC(=O)NC)C(=O)[C@H]1CCCC[NH2+]1 ZINC000038101003 169094458 /nfs/dbraw/zinc/09/44/58/169094458.db2.gz OUIHVBHDHBLKOX-SNVBAGLBSA-N 1 0 241.335 0.113 10 0 BCAERO CCCN(CC(=O)NC)C(=O)[C@@H]1CCCC[NH2+]1 ZINC000038101002 169094846 /nfs/dbraw/zinc/09/48/46/169094846.db2.gz OUIHVBHDHBLKOX-JTQLQIEISA-N 1 0 241.335 0.113 10 0 BCAERO CCCN(CC(=O)NC)c1ccc(C[NH3+])cn1 ZINC000042403522 169096386 /nfs/dbraw/zinc/09/63/86/169096386.db2.gz UDZLRSWTVPUIRD-UHFFFAOYSA-N 1 0 236.319 0.503 10 0 BCAERO CC(C)(C)[NH2+]CC(=O)N1CCOCC1 ZINC000020056795 166629105 /nfs/dbraw/zinc/62/91/05/166629105.db2.gz ZQYDFSLIQSQHEM-UHFFFAOYSA-N 1 0 200.282 0.233 10 0 BCAERO O[C@H]1COC[C@H]1[NH2+]Cc1ccccc1F ZINC000037880480 183247078 /nfs/dbraw/zinc/24/70/78/183247078.db2.gz VEYVFWQERODFDA-MNOVXSKESA-N 1 0 211.236 0.675 10 0 BCAERO O[C@]1(c2ccc3c(c2)OCCO3)CC[NH2+]C1 ZINC000071522863 183251880 /nfs/dbraw/zinc/25/18/80/183251880.db2.gz BHIGGKMBJYUMIV-GFCCVEGCSA-N 1 0 221.256 0.639 10 0 BCAERO O[C@]1(C[NH2+][C@@H]2COc3ccccc3C2)CCOC1 ZINC000328119723 183251920 /nfs/dbraw/zinc/25/19/20/183251920.db2.gz KWYQAOALYMUUSM-JSGCOSHPSA-N 1 0 249.310 0.731 10 0 BCAERO CCC[N@H+](CC)C[C@@H](N)C(=O)OCC ZINC000045386694 169125729 /nfs/dbraw/zinc/12/57/29/169125729.db2.gz CRSFJMCKSCVFKJ-SECBINFHSA-N 1 0 202.298 0.609 10 0 BCAERO CCC[NH+](CCC)C[C@H](N)C(=O)OCC ZINC000045378415 169149215 /nfs/dbraw/zinc/14/92/15/169149215.db2.gz UQXXXYMFRAUDAL-JTQLQIEISA-N 1 0 216.325 0.999 10 0 BCAERO CCC[N@H+](CC)C[C@H](N)C(=O)OCC ZINC000045386689 169130820 /nfs/dbraw/zinc/13/08/20/169130820.db2.gz CRSFJMCKSCVFKJ-VIFPVBQESA-N 1 0 202.298 0.609 10 0 BCAERO CCCN(CCO)C(=O)[C@H]([NH3+])c1ccccc1 ZINC000037809520 169162124 /nfs/dbraw/zinc/16/21/24/169162124.db2.gz MCHJBFAZQWEFFP-GFCCVEGCSA-N 1 0 236.315 0.917 10 0 BCAERO CCCN(CCO)C(=O)[C@@H]1CCC[C@@H](C)[C@@H]1[NH3+] ZINC000055133228 169162155 /nfs/dbraw/zinc/16/21/55/169162155.db2.gz SAMHTRIEIIYQPC-UTUOFQBUSA-N 1 0 242.363 0.981 10 0 BCAERO CCC[N@H+](CC[C@H](NCC)C(N)=O)CC1CC1 ZINC000062460049 169170707 /nfs/dbraw/zinc/17/07/07/169170707.db2.gz GFVBVSCXCSYHMC-LBPRGKRZSA-N 1 0 241.379 0.962 10 0 BCAERO CCCN(CC[C@@H]1CCCC[NH2+]1)CC(=O)NC ZINC000042405122 169171245 /nfs/dbraw/zinc/17/12/45/169171245.db2.gz WFILGXCYSIDOAT-LBPRGKRZSA-N 1 0 241.379 0.977 10 0 BCAERO CCCN1C(=O)C[C@H]([NH2+]C2CCC2)C1=O ZINC000052209211 169184585 /nfs/dbraw/zinc/18/45/85/169184585.db2.gz WEGNMGKVEOBPEC-VIFPVBQESA-N 1 0 210.277 0.666 10 0 BCAERO CCCN1C(=O)C[C@@H]([NH2+][C@@H]2CCCOC2)C1=O ZINC000103965421 169184858 /nfs/dbraw/zinc/18/48/58/169184858.db2.gz FQYLKEAAHFGEJD-NXEZZACHSA-N 1 0 240.303 0.293 10 0 BCAERO CCC[NH+]1CCN(C[C@H]2CCC[NH2+]2)CC1 ZINC000019933580 169202381 /nfs/dbraw/zinc/20/23/81/169202381.db2.gz HAFKMMMKSOUTEG-GFCCVEGCSA-N 1 0 211.353 0.766 10 0 BCAERO CCC[NH+]1CCN(CCn2ccc(N)n2)CC1 ZINC000071377777 169203022 /nfs/dbraw/zinc/20/30/22/169203022.db2.gz KISXBEIZAJDIBA-UHFFFAOYSA-N 1 0 237.351 0.493 10 0 BCAERO CCCNC(=O)C[NH2+]C[C@H](O)COCC(C)C ZINC000037892142 169225718 /nfs/dbraw/zinc/22/57/18/169225718.db2.gz LXDQLCYEVNCVBF-NSHDSACASA-N 1 0 246.351 0.136 10 0 BCAERO CCCNC(=O)C[NH2+]C[C@@H](O)COCC(C)C ZINC000037892143 169225733 /nfs/dbraw/zinc/22/57/33/169225733.db2.gz LXDQLCYEVNCVBF-LLVKDONJSA-N 1 0 246.351 0.136 10 0 BCAERO CCOC[C@H](O)CN(C)C[C@@H]1CCC[N@@H+]1CC ZINC000220961148 134315262 /nfs/dbraw/zinc/31/52/62/134315262.db2.gz OUXQUEAWODJEDI-QWHCGFSZSA-N 1 0 244.379 0.800 10 0 BCAERO CCCNC(=O)C[NH2+]CCC(=O)N[C@@H](C)CC ZINC000038014825 169226290 /nfs/dbraw/zinc/22/62/90/169226290.db2.gz WZAUUZBSSPFFMX-JTQLQIEISA-N 1 0 243.351 0.407 10 0 BCAERO CCCNC(=O)C[NH2+][C@@H](C)CCOC ZINC000045019353 169226935 /nfs/dbraw/zinc/22/69/35/169226935.db2.gz LMJLASFKRUFTGF-VIFPVBQESA-N 1 0 202.298 0.527 10 0 BCAERO c1cc(C[NH2+]C[C@H]2CCCOC2)ncn1 ZINC000054789722 183352554 /nfs/dbraw/zinc/35/25/54/183352554.db2.gz QPNDWWFIOCIJPJ-SNVBAGLBSA-N 1 0 207.277 0.993 10 0 BCAERO CCCNC(=O)Cc1csc(CC[NH3+])n1 ZINC000019672712 169233591 /nfs/dbraw/zinc/23/35/91/169233591.db2.gz GUNMMCBYYTWKBC-UHFFFAOYSA-N 1 0 227.333 0.713 10 0 BCAERO c1cc(C[C@H]2C[NH2+]CCN2)cc2c1OCO2 ZINC000078636434 183368861 /nfs/dbraw/zinc/36/88/61/183368861.db2.gz HLCZRAUDFBQUNW-JTQLQIEISA-N 1 0 220.272 0.519 10 0 BCAERO c1cc2c(cc1NC1=[NH+]CCN1)OCCO2 ZINC000029389388 183369128 /nfs/dbraw/zinc/36/91/28/183369128.db2.gz CARQBUHFBAORAB-UHFFFAOYSA-N 1 0 219.244 0.829 10 0 BCAERO CCC[NH2+]CCNc1cc(C)nc2ncnn21 ZINC000054267459 169260372 /nfs/dbraw/zinc/26/03/72/169260372.db2.gz SPJGQEQKNSVDKH-UHFFFAOYSA-N 1 0 234.307 0.844 10 0 BCAERO CCC[NH2+]C[C@@H]1CCCN(CC(=O)N(C)C)C1 ZINC000104417199 169262390 /nfs/dbraw/zinc/26/23/90/169262390.db2.gz LXPMXHPPJSTQGH-LBPRGKRZSA-N 1 0 241.379 0.786 10 0 BCAERO CCCNC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC000040457728 169243883 /nfs/dbraw/zinc/24/38/83/169243883.db2.gz IJGUGRDWHORRQH-NSHDSACASA-N 1 0 222.288 0.788 10 0 BCAERO CCCNC(=O)[C@H](C)NC(=[NH2+])NC1CC1 ZINC000052044971 169246902 /nfs/dbraw/zinc/24/69/02/169246902.db2.gz XFOOEJZZGLBQAK-ZETCQYMHSA-N 1 0 212.297 0.177 10 0 BCAERO CCCNS(=O)(=O)c1cc[nH+]c(NN)c1 ZINC000038008876 169274002 /nfs/dbraw/zinc/27/40/02/169274002.db2.gz FAPUVLOWKQRTPF-UHFFFAOYSA-N 1 0 230.293 0.056 10 0 BCAERO CCC[NH2+][C@@H](C)CN1C(=O)CCCC1=O ZINC000043999048 169275374 /nfs/dbraw/zinc/27/53/74/169275374.db2.gz RXLVYIZZYUUDLC-VIFPVBQESA-N 1 0 212.293 0.914 10 0 BCAERO CCCO[C@@H]1CCCN([C@@H]2COCC[C@@H]2[NH3+])C1 ZINC000042421914 169311615 /nfs/dbraw/zinc/31/16/15/169311615.db2.gz HYZKLDJNBHAFCZ-FRRDWIJNSA-N 1 0 242.363 0.994 10 0 BCAERO CCCS(=O)(=O)N1CCCC[C@H]1[NH3+] ZINC000019874214 169330274 /nfs/dbraw/zinc/33/02/74/169330274.db2.gz TWFDZHSDRRXGIW-QMMMGPOBSA-N 1 0 206.311 0.497 10 0 BCAERO CCC[C@@H](C)[N@H+](C)C[C@H](O)Cn1cc(N)cn1 ZINC000036789894 169365739 /nfs/dbraw/zinc/36/57/39/169365739.db2.gz QRXYCMFBQMSYAN-PWSUYJOCSA-N 1 0 240.351 0.947 10 0 BCAERO CCC[C@@H](C)[N@@H+]1CCC[C@@](O)(C(N)=O)C1 ZINC000309034050 169367125 /nfs/dbraw/zinc/36/71/25/169367125.db2.gz DTLMILRERNAAOE-KOLCDFICSA-N 1 0 214.309 0.487 10 0 BCAERO CCC[C@@H](C)NC(=O)CN1CCC([NH2+]C)CC1 ZINC000049286898 169367301 /nfs/dbraw/zinc/36/73/01/169367301.db2.gz MSTFICCJPYJICY-LLVKDONJSA-N 1 0 241.379 0.975 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)NC1(C(=O)OC)CCCC1 ZINC000236933973 169388177 /nfs/dbraw/zinc/38/81/77/169388177.db2.gz FLGVPOBUBZFRBY-SECBINFHSA-N 1 0 242.319 0.716 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)NCCCC(=O)OCC ZINC000081524552 169389655 /nfs/dbraw/zinc/38/96/55/169389655.db2.gz PHRODAZIKQJKJK-SECBINFHSA-N 1 0 230.308 0.573 10 0 BCAERO COC[C@H](C)C(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000178825396 134315844 /nfs/dbraw/zinc/31/58/44/134315844.db2.gz QEKACXMOSGNMQT-UWVGGRQHSA-N 1 0 228.336 0.855 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)N[C@H](C(=O)OC)[C@@H](C)CC ZINC000037044965 169390099 /nfs/dbraw/zinc/39/00/99/169390099.db2.gz CEQRUEZLHXEWLG-AEJSXWLSSA-N 1 0 244.335 0.818 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)NCCCc1c[nH]nc1C ZINC000050183137 169389095 /nfs/dbraw/zinc/38/90/95/169389095.db2.gz NKRCUWCZGPODDC-LLVKDONJSA-N 1 0 238.335 0.894 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)N[C@@H](CC)CCO ZINC000163258105 169390401 /nfs/dbraw/zinc/39/04/01/169390401.db2.gz VVEUTIPMJKEMOD-DTWKUNHWSA-N 1 0 202.298 0.391 10 0 BCAERO OC[C@H]1C[C@@H](O)C[N@@H+]1CC1CCCCC1 ZINC000179176670 134318219 /nfs/dbraw/zinc/31/82/19/134318219.db2.gz CSZKUVJCSVVHSC-VXGBXAGGSA-N 1 0 213.321 0.994 10 0 BCAERO CCC[C@@H]([NH2+]C)[C@H]1CCS(=O)(=O)C1 ZINC000043300748 169399514 /nfs/dbraw/zinc/39/95/14/169399514.db2.gz OVVJCYGKARTKOZ-DTWKUNHWSA-N 1 0 205.323 0.809 10 0 BCAERO CCC[C@@]1(C(=O)N2CCC[C@H](O)C2)CC[NH2+]C1 ZINC000062890573 169459540 /nfs/dbraw/zinc/45/95/40/169459540.db2.gz FKCMHINWGSTGRQ-WCQYABFASA-N 1 0 240.347 0.750 10 0 BCAERO CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](C[NH3+])O[C@@H]2C1 ZINC000098091223 166658091 /nfs/dbraw/zinc/65/80/91/166658091.db2.gz VKZFHDQGLQGCGB-KXUCPTDWSA-N 1 0 242.319 0.970 10 0 BCAERO CC(C)(C)OC[C@H](O)C[NH2+]CCn1cccn1 ZINC000042540850 166684380 /nfs/dbraw/zinc/68/43/80/166684380.db2.gz IERGIMVFUCCMQB-LLVKDONJSA-N 1 0 241.335 0.649 10 0 BCAERO CCN(CC)C(=O)[C@H]([NH3+])C1CCOCC1 ZINC000261575461 535464901 /nfs/dbraw/zinc/46/49/01/535464901.db2.gz JTNXYELTNGUKPG-SNVBAGLBSA-N 1 0 214.309 0.609 10 0 BCAERO COC(=O)[C@@H](C)C[N@@H+]1CC[C@@H](CO)C1 ZINC000225973798 134358163 /nfs/dbraw/zinc/35/81/63/134358163.db2.gz XIPLWRQVUHRLAP-DTWKUNHWSA-N 1 0 201.266 0.110 10 0 BCAERO CCOC(=O)CCN1C[C@H]([NH+](C)C)[C@@H](C)C1 ZINC000226081156 134358401 /nfs/dbraw/zinc/35/84/01/134358401.db2.gz ZJPJELAUWHHDSO-QWRGUYRKSA-N 1 0 228.336 0.822 10 0 BCAERO CCN(C(=O)C1CC[NH2+]CC1)[C@@H](C)COC ZINC000037811833 169631448 /nfs/dbraw/zinc/63/14/48/169631448.db2.gz QLHRCKSXNNJOPN-JTQLQIEISA-N 1 0 228.336 0.869 10 0 BCAERO CCN(C(=O)CN1CC[C@H]([NH3+])C1)C1=CCCC1 ZINC000050243166 169636166 /nfs/dbraw/zinc/63/61/66/169636166.db2.gz BEVSTJZGTGTEFN-NSHDSACASA-N 1 0 237.347 0.936 10 0 BCAERO CCN(C(=O)[C@@H]1C[C@@H](O)C[NH2+]1)C1CCCC1 ZINC000035766313 169650533 /nfs/dbraw/zinc/65/05/33/169650533.db2.gz CZEKAANUVUFKEV-MNOVXSKESA-N 1 0 226.320 0.500 10 0 BCAERO CCN(C(=O)[C@H]1CCOC1)[C@H]1CCC[NH2+]C1 ZINC000040941636 169653632 /nfs/dbraw/zinc/65/36/32/169653632.db2.gz DGIKZOBQJIDROS-QWRGUYRKSA-N 1 0 226.320 0.623 10 0 BCAERO CCN(C(=O)c1cccnc1)[C@H]1CC[NH2+]C1 ZINC000058233866 169659739 /nfs/dbraw/zinc/65/97/39/169659739.db2.gz PCBNBDHKFIEYTN-NSHDSACASA-N 1 0 219.288 0.906 10 0 BCAERO CCN(C(=O)c1ccon1)C1CC[NH2+]CC1 ZINC000044587177 169660109 /nfs/dbraw/zinc/66/01/09/169660109.db2.gz FIULCAJDISEKFJ-UHFFFAOYSA-N 1 0 223.276 0.889 10 0 BCAERO CC(C)OC[C@H](O)C[NH2+][C@H]1CCO[C@@H]1C ZINC000226436353 134363384 /nfs/dbraw/zinc/36/33/84/134363384.db2.gz HAEHJOHPHOJRSE-MXWKQRLJSA-N 1 0 217.309 0.539 10 0 BCAERO Cc1c(CNC(=O)[C@@H]2CC[C@H]([NH3+])C2)cnn1C ZINC000226413689 134365445 /nfs/dbraw/zinc/36/54/45/134365445.db2.gz HWTULIQBYXNOMQ-KOLCDFICSA-N 1 0 236.319 0.472 10 0 BCAERO C[C@H](C[S@](C)=O)NC(=O)C[C@@H]1CCC[NH2+]1 ZINC000229004942 259637580 /nfs/dbraw/zinc/63/75/80/259637580.db2.gz FDIIFXIOKLXFNL-OLBFVZFUSA-N 1 0 232.349 0.012 10 0 BCAERO CCOc1cc(N2CC[NH2+]C[C@@H]2C)ncn1 ZINC000085482560 134378768 /nfs/dbraw/zinc/37/87/68/134378768.db2.gz FHRPHADMTZNTKR-VIFPVBQESA-N 1 0 222.292 0.673 10 0 BCAERO CCN[C@@]1(C(N)=O)CC[N@@H+]2CCC[C@@H]2C1 ZINC000156464011 383840080 /nfs/dbraw/zinc/84/00/80/383840080.db2.gz MSDRSACYXBPLIX-KOLCDFICSA-N 1 0 211.309 0.078 10 0 BCAERO O=S(=O)(NC[C@@H]1CC[NH2+]C1)c1cccs1 ZINC000087655117 383859475 /nfs/dbraw/zinc/85/94/75/383859475.db2.gz AJTQNARJYFGNNU-MRVPVSSYSA-N 1 0 246.357 0.636 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N(C)CCCC(=O)OC ZINC000037813218 383863187 /nfs/dbraw/zinc/86/31/87/383863187.db2.gz QYFRAWGWZBWMAT-VIFPVBQESA-N 1 0 230.308 0.525 10 0 BCAERO Cc1nccnc1N(C)CCOCC[NH3+] ZINC000301044463 383877882 /nfs/dbraw/zinc/87/78/82/383877882.db2.gz MLLXSXCTLHHFAX-UHFFFAOYSA-N 1 0 210.281 0.197 10 0 BCAERO CN(CCOCC[NH3+])C(=O)CC(F)(F)F ZINC000301048295 383878381 /nfs/dbraw/zinc/87/83/81/383878381.db2.gz QJRGXKMBPDRRQU-UHFFFAOYSA-N 1 0 228.214 0.373 10 0 BCAERO C[C@@H]1CC[C@H](C)N1C(=O)[C@@H]1C[NH2+]CCOC1 ZINC000643735604 383910927 /nfs/dbraw/zinc/91/09/27/383910927.db2.gz KCKHMDYAZNWFSH-OUAUKWLOSA-N 1 0 226.320 0.622 10 0 BCAERO COC(=O)[C@H](C)CNC(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000237105267 383890129 /nfs/dbraw/zinc/89/01/29/383890129.db2.gz QCIIKDIBHKLIAR-KXUCPTDWSA-N 1 0 242.319 0.429 10 0 BCAERO C[C@@H]1C[C@@H]([NH2+]C[C@H]2CN(C)CCO2)CO1 ZINC000401772275 383978940 /nfs/dbraw/zinc/97/89/40/383978940.db2.gz AEHOOKPXBHJSLC-MXWKQRLJSA-N 1 0 214.309 0.084 10 0 BCAERO O=S1(=O)CCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000068590516 384002047 /nfs/dbraw/zinc/00/20/47/384002047.db2.gz CLNYGCMPBRMPFA-RKDXNWHRSA-N 1 0 203.307 0.563 10 0 BCAERO [NH3+][C@@H](C1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000050271502 383988831 /nfs/dbraw/zinc/98/88/31/383988831.db2.gz ONJJDHXYYHAGCE-ZJUUUORDSA-N 1 0 217.334 0.939 10 0 BCAERO Cc1n[nH]cc1C(=O)N1C[C@H](C)[C@H]([NH+](C)C)C1 ZINC000089710054 383991026 /nfs/dbraw/zinc/99/10/26/383991026.db2.gz MPLGQGAOFYAOCU-GZMMTYOYSA-N 1 0 236.319 0.740 10 0 BCAERO CC[C@@H](C)NC(=O)[C@]1(COC)CCC[NH2+]1 ZINC000643613821 383995595 /nfs/dbraw/zinc/99/55/95/383995595.db2.gz DLRVGVKIURTBHH-MWLCHTKSSA-N 1 0 214.309 0.670 10 0 BCAERO COC[C@]1(C(=O)N2CCCC2)CCC[NH2+]1 ZINC000643614323 383997943 /nfs/dbraw/zinc/99/79/43/383997943.db2.gz RUEJSGRCAMQBFN-NSHDSACASA-N 1 0 212.293 0.377 10 0 BCAERO C[C@@H](C[NH2+]Cc1ncc[nH]1)N1CCOCC1 ZINC000067671062 383937243 /nfs/dbraw/zinc/93/72/43/383937243.db2.gz CNGPBLLAMYOJRZ-JTQLQIEISA-N 1 0 224.308 0.220 10 0 BCAERO COC(=O)c1nc2ccccn2c1C[NH3+] ZINC000089201538 383942953 /nfs/dbraw/zinc/94/29/53/383942953.db2.gz XMYKLQMKMZUVGK-UHFFFAOYSA-N 1 0 205.217 0.580 10 0 BCAERO C[C@H]1[C@H](O)CCC[N@@H+]1CCc1ccnn1C ZINC000296169732 383946272 /nfs/dbraw/zinc/94/62/72/383946272.db2.gz KXFHQANAZOSQRW-CMPLNLGQSA-N 1 0 223.320 0.808 10 0 BCAERO Cc1ccc2c(CC[NH3+])cn(CC(N)=O)c2c1 ZINC000068576870 384000617 /nfs/dbraw/zinc/00/06/17/384000617.db2.gz RTVHKZIERFZVFO-UHFFFAOYSA-N 1 0 231.299 0.936 10 0 BCAERO O=C1NCCC[C@H]1[NH2+][C@H]1CCSC1 ZINC000050393984 384018574 /nfs/dbraw/zinc/01/85/74/384018574.db2.gz QMJCZNYMTBGTBR-JGVFFNPUSA-N 1 0 200.307 0.360 10 0 BCAERO CCC(C)(C)NC(=O)[C@H]1C[NH2+]CCOC1 ZINC000643616220 384005665 /nfs/dbraw/zinc/00/56/65/384005665.db2.gz OIEZJFSKTNPOBW-VIFPVBQESA-N 1 0 214.309 0.527 10 0 BCAERO Cc1cn[nH]c1C[NH2+]C[C@@H]1CCC[C@H]1O ZINC000289488087 384009717 /nfs/dbraw/zinc/00/97/17/384009717.db2.gz KSAVARLEAPTIIR-GXSJLCMTSA-N 1 0 209.293 0.969 10 0 BCAERO CO[C@@H]1CCC[C@H]1NC(=O)C(C)(C)[NH3+] ZINC000050374004 384010116 /nfs/dbraw/zinc/01/01/16/384010116.db2.gz ZHURVGNKQBNDFM-HTQZYQBOSA-N 1 0 200.282 0.407 10 0 BCAERO CO[C@H]1CCC[C@H]1NC(=O)C(C)(C)[NH3+] ZINC000050374002 384010750 /nfs/dbraw/zinc/01/07/50/384010750.db2.gz ZHURVGNKQBNDFM-SFYZADRCSA-N 1 0 200.282 0.407 10 0 BCAERO CCCN(CC1CC1)C(=O)[C@@H]1C[NH2+]CCOC1 ZINC000643616736 384011379 /nfs/dbraw/zinc/01/13/79/384011379.db2.gz FVZZEMDCBKETMW-GFCCVEGCSA-N 1 0 240.347 0.871 10 0 BCAERO C[NH+](C)C[C@H]1CCN(Cc2ncc[nH]2)C1 ZINC000114479462 384038388 /nfs/dbraw/zinc/03/83/88/384038388.db2.gz VWNNGFAUIBLJSQ-SNVBAGLBSA-N 1 0 208.309 0.793 10 0 BCAERO COC(=O)[C@@H](C)CN1CCC[C@@H]([NH+](C)C)C1 ZINC000227648643 134389276 /nfs/dbraw/zinc/38/92/76/134389276.db2.gz QANHCWYLZNMBBC-WDEREUQCSA-N 1 0 228.336 0.822 10 0 BCAERO C[C@@H]1CCN(C(=O)[C@@H]2C[NH2+]CCOC2)C[C@@H]1C ZINC000643779858 384061841 /nfs/dbraw/zinc/06/18/41/384061841.db2.gz UYQNXPQBWPTXAT-GRYCIOLGSA-N 1 0 240.347 0.727 10 0 BCAERO CO[C@@H]1C[NH2+]C[C@@H]1NC(=O)c1scnc1C ZINC000077480276 384070662 /nfs/dbraw/zinc/07/06/62/384070662.db2.gz BIALZBXUPIXOEY-JGVFFNPUSA-N 1 0 241.316 0.168 10 0 BCAERO Cc1nnc2c(N3CC[C@@](C)(C[NH3+])C3)nccn12 ZINC000235963538 384082907 /nfs/dbraw/zinc/08/29/07/384082907.db2.gz PVIJCWKVZYFQRB-LBPRGKRZSA-N 1 0 246.318 0.608 10 0 BCAERO CC[NH2+]Cc1cn(C[C@@H](O)C(C)(C)C)nn1 ZINC000304241476 384099410 /nfs/dbraw/zinc/09/94/10/384099410.db2.gz NVDQHIYJAQNASD-SNVBAGLBSA-N 1 0 226.324 0.795 10 0 BCAERO C[C@@H](C(N)=O)[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000116315009 384129056 /nfs/dbraw/zinc/12/90/56/384129056.db2.gz MFBIUARGAGEXKI-IUCAKERBSA-N 1 0 222.292 0.083 10 0 BCAERO CN(C[C@H]1CCC[C@H]1O)C(=O)[C@@H]1CC[NH2+]C1 ZINC000648167046 384151601 /nfs/dbraw/zinc/15/16/01/384151601.db2.gz QFUHHMDYQWAHPI-GMTAPVOTSA-N 1 0 226.320 0.215 10 0 BCAERO C[C@@H]1C[C@H]([NH2+][C@H]2CCC(=O)N[C@H]2C)CO1 ZINC000401853797 384145795 /nfs/dbraw/zinc/14/57/95/384145795.db2.gz XXJNYNHVMKWRDC-KATARQTJSA-N 1 0 212.293 0.421 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)N(C)C[C@@H]1CCC[C@@H]1O ZINC000648167120 384159151 /nfs/dbraw/zinc/15/91/51/384159151.db2.gz ZVXPKCBMTVBGLY-TUAOUCFPSA-N 1 0 242.363 0.979 10 0 BCAERO CCOc1cc(N(C)CCOCC[NH3+])ncn1 ZINC000302407370 384162942 /nfs/dbraw/zinc/16/29/42/384162942.db2.gz PKENVMJTPDSDIH-UHFFFAOYSA-N 1 0 240.307 0.287 10 0 BCAERO COC[C@]1(C(=O)NCC2CC2)CCC[NH2+]1 ZINC000643626667 384165622 /nfs/dbraw/zinc/16/56/22/384165622.db2.gz ODBMJOYNRDZCQS-NSHDSACASA-N 1 0 212.293 0.281 10 0 BCAERO Cn1ncc(NCC2([NH3+])CCC2)c(Cl)c1=O ZINC000236101714 384181510 /nfs/dbraw/zinc/18/15/10/384181510.db2.gz GVOXIDRHUZCGPB-UHFFFAOYSA-N 1 0 242.710 0.727 10 0 BCAERO CC[NH+](CC)CC(=O)NCCn1cc(C)cn1 ZINC000117812843 384182294 /nfs/dbraw/zinc/18/22/94/384182294.db2.gz NBJVIKBXRGZYQA-UHFFFAOYSA-N 1 0 238.335 0.650 10 0 BCAERO C[C@@H](CO)Nc1nccc(C[NH3+])c1Cl ZINC000235137828 384205576 /nfs/dbraw/zinc/20/55/76/384205576.db2.gz RFLYOXRYRFACLL-LURJTMIESA-N 1 0 215.684 0.986 10 0 BCAERO O=C(NCCC1CCCC1)[C@H]1C[NH2+]CCOC1 ZINC000643638557 384235354 /nfs/dbraw/zinc/23/53/54/384235354.db2.gz FIOWQCGKJWGIEM-LBPRGKRZSA-N 1 0 240.347 0.919 10 0 BCAERO C[C@H]([NH2+][C@H]1CCC(=O)N[C@@H]1C)c1cnn(C)c1 ZINC000282325798 384236248 /nfs/dbraw/zinc/23/62/48/384236248.db2.gz NWDWBVLXLNCRER-NGZCFLSTSA-N 1 0 236.319 0.738 10 0 BCAERO C[C@H]([NH2+][C@H]1CCC(=O)N[C@H]1C)c1cnn(C)c1 ZINC000282325802 384237403 /nfs/dbraw/zinc/23/74/03/384237403.db2.gz NWDWBVLXLNCRER-QXEWZRGKSA-N 1 0 236.319 0.738 10 0 BCAERO CCOCCCNC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000082558885 384237457 /nfs/dbraw/zinc/23/74/57/384237457.db2.gz SAPDZVXLITWUAU-NXEZZACHSA-N 1 0 214.309 0.385 10 0 BCAERO CCOCCCNC(=O)[C@@H]1C[NH2+]C[C@@H]1C ZINC000082558883 384237486 /nfs/dbraw/zinc/23/74/86/384237486.db2.gz SAPDZVXLITWUAU-VHSXEESVSA-N 1 0 214.309 0.385 10 0 BCAERO COC[C@]1(C(=O)NC[C@@H]2C[C@@H]2C)CCC[NH2+]1 ZINC000643638655 384239685 /nfs/dbraw/zinc/23/96/85/384239685.db2.gz JKFMOXYBSJRNAN-NHCYSSNCSA-N 1 0 226.320 0.527 10 0 BCAERO C[C@H]1CC[C@H](O)C[N@@H+]1CCc1cnccn1 ZINC000402899627 384222813 /nfs/dbraw/zinc/22/28/13/384222813.db2.gz GPHQEWGGQMRONL-JQWIXIFHSA-N 1 0 221.304 0.864 10 0 BCAERO COC[C@@]1(C(=O)NCC2CCC2)CCC[NH2+]1 ZINC000643638976 384245473 /nfs/dbraw/zinc/24/54/73/384245473.db2.gz YUTBWWFPZURGPB-GFCCVEGCSA-N 1 0 226.320 0.671 10 0 BCAERO C[C@H]([NH2+][C@@H]1CCC(=O)N[C@@H]1C)c1ccnn1C ZINC000282391977 384258844 /nfs/dbraw/zinc/25/88/44/384258844.db2.gz RDXVPKXYKHSMRE-KXUCPTDWSA-N 1 0 236.319 0.738 10 0 BCAERO [NH3+][C@H]1CC[C@@H](C(=O)NCc2ncc[nH]2)C1 ZINC000085013765 384261890 /nfs/dbraw/zinc/26/18/90/384261890.db2.gz WKWLVLBZZRFSPS-SFYZADRCSA-N 1 0 208.265 0.153 10 0 BCAERO CS(=O)(=O)[C@@H]1CCC[C@H](N2CC[NH2+]CC2)C1 ZINC000074942540 384314487 /nfs/dbraw/zinc/31/44/87/384314487.db2.gz PHOJRAQCSDJSFX-WDEREUQCSA-N 1 0 246.376 0.247 10 0 BCAERO COCCC1(C(=O)N[C@H]2C[C@@H]2C)CC[NH2+]CC1 ZINC000643644058 384281300 /nfs/dbraw/zinc/28/13/00/384281300.db2.gz COSQVCBOYDOACK-QWRGUYRKSA-N 1 0 240.347 0.917 10 0 BCAERO CCCCS(=O)(=O)N1C[C@H](C)[C@H]([NH3+])C1 ZINC000300050188 384285872 /nfs/dbraw/zinc/28/58/72/384285872.db2.gz YBNGPKUIDMNCEY-DTWKUNHWSA-N 1 0 220.338 0.395 10 0 BCAERO CN(c1ncc(Cl)cn1)[C@H]1CC[NH2+]C1 ZINC000095070579 384336273 /nfs/dbraw/zinc/33/62/73/384336273.db2.gz VXYSWSKVJWWPCY-QMMMGPOBSA-N 1 0 212.684 0.928 10 0 BCAERO Cn1nc(Br)c2c1ncnc2N ZINC000075772080 384336699 /nfs/dbraw/zinc/33/66/99/384336699.db2.gz DHFYKLULHRGVSL-UHFFFAOYSA-N 1 0 228.053 0.708 10 0 BCAERO CN(CC(=O)c1ccc[nH]1)[C@@H]1CCC[NH2+]C1 ZINC000095070686 384337107 /nfs/dbraw/zinc/33/71/07/384337107.db2.gz ZSLYNTIQVFRCNR-SNVBAGLBSA-N 1 0 221.304 0.881 10 0 BCAERO O=[S@@](C[C@@H]1CC[NH2+]C1)c1cc(Cl)ncn1 ZINC000095070438 384337304 /nfs/dbraw/zinc/33/73/04/384337304.db2.gz XKEOOPJNBARLJW-KWKYVRJSSA-N 1 0 245.735 0.847 10 0 BCAERO Nc1nc2ccccc2nc1N1CC[C@H]([NH3+])C1 ZINC000095072148 384340495 /nfs/dbraw/zinc/34/04/95/384340495.db2.gz VOONWJXKMJWBFV-QMMMGPOBSA-N 1 0 229.287 0.749 10 0 BCAERO COc1nccnc1CN1CCC[NH2+]CC1 ZINC000095071617 384340511 /nfs/dbraw/zinc/34/05/11/384340511.db2.gz CZDZTLGVXZGZDL-UHFFFAOYSA-N 1 0 222.292 0.281 10 0 BCAERO COc1nccnc1CN1CC[C@@H]([NH3+])C1 ZINC000095071603 384340976 /nfs/dbraw/zinc/34/09/76/384340976.db2.gz PLHVSEGLOPFYJW-MRVPVSSYSA-N 1 0 208.265 0.018 10 0 BCAERO CSc1nccnc1CN[C@@H]1CC[NH2+]C1 ZINC000095071901 384341209 /nfs/dbraw/zinc/34/12/09/384341209.db2.gz GGZOBUWFBYRPIF-MRVPVSSYSA-N 1 0 224.333 0.650 10 0 BCAERO COc1nccnc1CN1CC[NH2+]C[C@H]1C ZINC000095071620 384341234 /nfs/dbraw/zinc/34/12/34/384341234.db2.gz CFPDJCIPYASTNJ-SECBINFHSA-N 1 0 222.292 0.279 10 0 BCAERO COc1nccnc1CN[C@@H]1CCCC[C@@H]1[NH3+] ZINC000095071624 384341259 /nfs/dbraw/zinc/34/12/59/384341259.db2.gz CYMQKCYXNGQGMT-VHSXEESVSA-N 1 0 236.319 0.845 10 0 BCAERO CC[C@@H]1CCCN1C(=O)[C@H]1C[NH2+]CCOC1 ZINC000643652399 384341369 /nfs/dbraw/zinc/34/13/69/384341369.db2.gz NTSKJHGNYJMVEP-WDEREUQCSA-N 1 0 226.320 0.623 10 0 BCAERO O=[S@@](C[C@H]1CCCC[NH2+]1)c1ncc(F)cn1 ZINC000095072000 384341662 /nfs/dbraw/zinc/34/16/62/384341662.db2.gz RGGYSICCBVHGHI-JDNHERCYSA-N 1 0 243.307 0.865 10 0 BCAERO COc1nccnc1CN1CC[NH2+][C@@H](C)C1 ZINC000095071619 384341880 /nfs/dbraw/zinc/34/18/80/384341880.db2.gz LAMVRORPQNDNQJ-VIFPVBQESA-N 1 0 222.292 0.279 10 0 BCAERO COc1nccnc1CN1CCC[C@@H]1C[NH3+] ZINC000095071613 384341954 /nfs/dbraw/zinc/34/19/54/384341954.db2.gz AMRJWZLKFUJSKL-SECBINFHSA-N 1 0 222.292 0.408 10 0 BCAERO [NH3+]CC1CCN(c2ncc(F)cn2)CC1 ZINC000095072693 384343670 /nfs/dbraw/zinc/34/36/70/384343670.db2.gz PQDBAYKIMIVEMP-UHFFFAOYSA-N 1 0 210.256 0.791 10 0 BCAERO [NH3+]C[C@@H]1CCCCN1C(=O)c1cnccn1 ZINC000044541150 384344182 /nfs/dbraw/zinc/34/41/82/384344182.db2.gz FQFDVBSSFGNWEX-VIFPVBQESA-N 1 0 220.276 0.430 10 0 BCAERO CC[C@H](C)[C@H](C)NC(=O)[C@H]1C[NH2+]CCOC1 ZINC000643652710 384344267 /nfs/dbraw/zinc/34/42/67/384344267.db2.gz QWRQEHFTHHOGRU-DCAQKATOSA-N 1 0 228.336 0.773 10 0 BCAERO O=C(CNC[C@H]1CCC[NH2+]1)c1ccc[nH]1 ZINC000095072780 384345270 /nfs/dbraw/zinc/34/52/70/384345270.db2.gz SZIMPBDGVNKYQF-SECBINFHSA-N 1 0 207.277 0.539 10 0 BCAERO O=S(=O)(C[C@H]1CCCC[NH2+]1)c1ccncc1 ZINC000095073144 384345384 /nfs/dbraw/zinc/34/53/84/384345384.db2.gz HJMHYIHQWRVLIL-SNVBAGLBSA-N 1 0 240.328 0.997 10 0 BCAERO O=C(CNC[C@@H]1CC[NH2+]C1)c1ccco1 ZINC000095072805 384345644 /nfs/dbraw/zinc/34/56/44/384345644.db2.gz BNFFGNAARZGKOZ-SECBINFHSA-N 1 0 208.261 0.661 10 0 BCAERO [NH3+]C[C@H]1CCN(Cc2ccc(Cl)nn2)C1 ZINC000095072720 384345904 /nfs/dbraw/zinc/34/59/04/384345904.db2.gz FMJAZYULBKPQBL-MRVPVSSYSA-N 1 0 226.711 0.911 10 0 BCAERO O=C(COC[C@@H]1CC[NH2+]C1)c1ccccn1 ZINC000095072899 384346003 /nfs/dbraw/zinc/34/60/03/384346003.db2.gz BSEPKWZQUXUYSZ-SNVBAGLBSA-N 1 0 220.272 0.890 10 0 BCAERO O=[S@@](C[C@H]1CCC[NH2+]1)c1ncccn1 ZINC000095073550 384347956 /nfs/dbraw/zinc/34/79/56/384347956.db2.gz SSFCLFOWXIFNSP-XLKFXECMSA-N 1 0 211.290 0.336 10 0 BCAERO O=[S@](c1ncccn1)[C@@H]1CCC[NH2+]C1 ZINC000095073386 384348042 /nfs/dbraw/zinc/34/80/42/384348042.db2.gz JBXDAHZPRGFCJE-XLKFXECMSA-N 1 0 211.290 0.336 10 0 BCAERO O=[S@](Cc1ccccn1)[C@H]1CC[NH2+]C1 ZINC000095073426 384348057 /nfs/dbraw/zinc/34/80/57/384348057.db2.gz IGYXCHJBYZUTJQ-HZMBPMFUSA-N 1 0 210.302 0.692 10 0 BCAERO O=S(=O)(Cc1cccnc1)C[C@H]1CC[NH2+]C1 ZINC000095073252 384348062 /nfs/dbraw/zinc/34/80/62/384348062.db2.gz KMKKDZBMYHYROE-NSHDSACASA-N 1 0 240.328 0.606 10 0 BCAERO O=[S@@](C[C@@H]1CCCC[NH2+]1)c1ncccn1 ZINC000095073488 384348562 /nfs/dbraw/zinc/34/85/62/384348562.db2.gz DKSUCBUHZHDLFK-BJOHPYRUSA-N 1 0 225.317 0.726 10 0 BCAERO O=[S@@](C[C@H]1CC[NH2+]C1)c1cnccn1 ZINC000095073666 384349704 /nfs/dbraw/zinc/34/97/04/384349704.db2.gz IBBJDPQFXKIBKF-RMLUDKJBSA-N 1 0 211.290 0.194 10 0 BCAERO Cn1ccnc1CS(=O)(=O)NC1CC1 ZINC000095075596 384349974 /nfs/dbraw/zinc/34/99/74/384349974.db2.gz KVVFLMFDCDFAOX-UHFFFAOYSA-N 1 0 215.278 0.002 10 0 BCAERO [NH3+][C@@H](CCO)[C@@H]1COc2ccccc2O1 ZINC000095077254 384353082 /nfs/dbraw/zinc/35/30/82/384353082.db2.gz VZJKSASHNVIFNI-KWQFWETISA-N 1 0 209.245 0.536 10 0 BCAERO c1cnc2[nH]c(NC[C@@H]3CC[NH2+]C3)nc2c1 ZINC000095092617 384363997 /nfs/dbraw/zinc/36/39/97/384363997.db2.gz MQAVZMSGHRWRJP-MRVPVSSYSA-N 1 0 217.276 0.979 10 0 BCAERO C[C@H]1[C@@H](O)CCC[N@@H+]1CC(=O)N1CCCCC1 ZINC000335595636 384365482 /nfs/dbraw/zinc/36/54/82/384365482.db2.gz FQRSAFGDXHLGFK-RYUDHWBXSA-N 1 0 240.347 0.844 10 0 BCAERO CN(C)C(=O)CN(C)[C@H]1CCC[NH2+]CC1 ZINC000168803899 384326895 /nfs/dbraw/zinc/32/68/95/384326895.db2.gz BEAYPSOBSHPLLV-JTQLQIEISA-N 1 0 213.325 0.149 10 0 BCAERO Cc1ccnc([S@](=O)C2CC[NH2+]CC2)n1 ZINC000095069279 384331949 /nfs/dbraw/zinc/33/19/49/384331949.db2.gz WQQFDHLFENTLJY-HNNXBMFYSA-N 1 0 225.317 0.645 10 0 BCAERO Cc1ccnc([S@](=O)C[C@H]2CCC[NH2+]2)n1 ZINC000095069287 384332003 /nfs/dbraw/zinc/33/20/03/384332003.db2.gz UGDCLWSHDKYNDY-PSLIRLAXSA-N 1 0 225.317 0.645 10 0 BCAERO Cc1ccc([S@](=O)[C@@H]2CCC[NH2+]C2)nn1 ZINC000095069112 384332416 /nfs/dbraw/zinc/33/24/16/384332416.db2.gz JFEKGIAGWXUHJK-PSLIRLAXSA-N 1 0 225.317 0.645 10 0 BCAERO Cc1ccc([S@@](=O)[C@@H]2CCC[NH2+]C2)nn1 ZINC000095069111 384332608 /nfs/dbraw/zinc/33/26/08/384332608.db2.gz JFEKGIAGWXUHJK-RFAUZJTJSA-N 1 0 225.317 0.645 10 0 BCAERO Cc1ccc(S(=O)(=O)C[C@H]2CC[NH2+]C2)nc1 ZINC000095069017 384333104 /nfs/dbraw/zinc/33/31/04/384333104.db2.gz IDVXRJIGCDTAID-JTQLQIEISA-N 1 0 240.328 0.773 10 0 BCAERO Clc1ccnc(N2CCC[NH2+]CC2)n1 ZINC000095070120 384334462 /nfs/dbraw/zinc/33/44/62/384334462.db2.gz JHBREGSVOVJDJJ-UHFFFAOYSA-N 1 0 212.684 0.930 10 0 BCAERO O=[S@](c1ncc(Cl)cn1)[C@@H]1CC[NH2+]C1 ZINC000095070006 384334761 /nfs/dbraw/zinc/33/47/61/384334761.db2.gz OYIIOFOUWRKLCE-NXSYQRQQSA-N 1 0 231.708 0.600 10 0 BCAERO COc1c(C[NH2+]CC[C@@H](C)O)c(C)nn1C ZINC000135062589 384410217 /nfs/dbraw/zinc/41/02/17/384410217.db2.gz YKBHINYVNQJDLU-MRVPVSSYSA-N 1 0 227.308 0.598 10 0 BCAERO CC(C)(C)OC(=O)N1CC[NH2+][C@@H](CO)CC1 ZINC000095931213 384410660 /nfs/dbraw/zinc/41/06/60/384410660.db2.gz LBFVJWLSDNHZJF-SECBINFHSA-N 1 0 230.308 0.578 10 0 BCAERO Cc1c[nH]nc1CN1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000647512639 384411596 /nfs/dbraw/zinc/41/15/96/384411596.db2.gz NYHGOZNMGGKHKD-DCAQKATOSA-N 1 0 220.320 0.887 10 0 BCAERO C[C@H](Cc1ncccc1C(N)=O)N1CC[NH2+]CC1 ZINC000095935228 384415482 /nfs/dbraw/zinc/41/54/82/384415482.db2.gz SSXYSCWMKXAMKN-SNVBAGLBSA-N 1 0 248.330 0.017 10 0 BCAERO CCN1CCC[C@H]([NH2+]Cc2cncn2C)C1 ZINC000082394413 384420779 /nfs/dbraw/zinc/42/07/79/384420779.db2.gz KHUXLPWADRBCIL-NSHDSACASA-N 1 0 222.336 0.994 10 0 BCAERO CC(C)C(C)(C)NC(=O)[C@H]1C[NH2+]CCOC1 ZINC000643663305 384422153 /nfs/dbraw/zinc/42/21/53/384422153.db2.gz WWXAGOZIPFMVQH-JTQLQIEISA-N 1 0 228.336 0.773 10 0 BCAERO Cc1n[nH]cc1C[NH2+]C[C@@H]1CCC[C@@H]1O ZINC000084225350 384379137 /nfs/dbraw/zinc/37/91/37/384379137.db2.gz KAZKBZMIJHWTQV-ONGXEEELSA-N 1 0 209.293 0.969 10 0 BCAERO O=C([C@@H]1CC[NH2+]C1)N1CCN(CC(F)F)CC1 ZINC000237774623 384379281 /nfs/dbraw/zinc/37/92/81/384379281.db2.gz XADXSNNIPFJCBS-SECBINFHSA-N 1 0 247.289 0.005 10 0 BCAERO Cn1cc(C[NH2+]C[C@H]2CCC[C@H]2O)nn1 ZINC000084225847 384380463 /nfs/dbraw/zinc/38/04/63/384380463.db2.gz GYMOPLFYKUKTST-PSASIEDQSA-N 1 0 210.281 0.066 10 0 BCAERO Cn1ccnc1CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000082462904 384425436 /nfs/dbraw/zinc/42/54/36/384425436.db2.gz IWAMCMQURODEEW-LLVKDONJSA-N 1 0 220.320 0.700 10 0 BCAERO COCCCN(C)C(=O)[C@]1(COC)CCC[NH2+]1 ZINC000643664840 384430428 /nfs/dbraw/zinc/43/04/28/384430428.db2.gz GLNYLNYJHULZTI-GFCCVEGCSA-N 1 0 244.335 0.250 10 0 BCAERO CCC1(CNC(=O)C2([NH3+])CCOCC2)CC1 ZINC000229216239 384462154 /nfs/dbraw/zinc/46/21/54/384462154.db2.gz SHXHRRAWDOWYFF-UHFFFAOYSA-N 1 0 226.320 0.801 10 0 BCAERO COCC[C@H](C)NC(=O)[C@]1(COC)CCC[NH2+]1 ZINC000643672197 384509579 /nfs/dbraw/zinc/50/95/79/384509579.db2.gz HTRJQDLGIBWIMN-CMPLNLGQSA-N 1 0 244.335 0.296 10 0 BCAERO COCC[C@H](C)NC(=O)[C@@]1(COC)CCC[NH2+]1 ZINC000643672198 384509646 /nfs/dbraw/zinc/50/96/46/384509646.db2.gz HTRJQDLGIBWIMN-JQWIXIFHSA-N 1 0 244.335 0.296 10 0 BCAERO C[C@@H]1C[C@@H](C)N(C(=O)[C@@H]2CCCO2)C[C@H]1C[NH3+] ZINC000397342473 384518967 /nfs/dbraw/zinc/51/89/67/384518967.db2.gz QPFODKBRQAKBOI-KKOKHZNYSA-N 1 0 240.347 0.997 10 0 BCAERO C[C@H]([NH3+])[C@H](N)C(=O)OCc1ccccc1 ZINC000137413082 384529655 /nfs/dbraw/zinc/52/96/55/384529655.db2.gz YHTSGFDJWKYMJK-WPRPVWTQSA-N 1 0 208.261 0.404 10 0 BCAERO C[C@@H]([NH3+])[C@H](N)C(=O)OCc1ccccc1 ZINC000137413151 384530821 /nfs/dbraw/zinc/53/08/21/384530821.db2.gz YHTSGFDJWKYMJK-SCZZXKLOSA-N 1 0 208.261 0.404 10 0 BCAERO C[NH+](C)C[C@@H]1CN(CCc2cccnc2)CCO1 ZINC000172163348 384541821 /nfs/dbraw/zinc/54/18/21/384541821.db2.gz YEWQBBCHRNQTNJ-CQSZACIVSA-N 1 0 249.358 0.887 10 0 BCAERO Cc1ccc(C[N@@H+]2C[C@@H](O)C[C@@H]2CO)cc1 ZINC000184004886 384548981 /nfs/dbraw/zinc/54/89/81/384548981.db2.gz FNQCBVDPPQLNIB-OLZOCXBDSA-N 1 0 221.300 0.923 10 0 BCAERO CCOc1cncc(N(C)CCOCC[NH3+])n1 ZINC000305959599 384558958 /nfs/dbraw/zinc/55/89/58/384558958.db2.gz FEMHEABRASCWLU-UHFFFAOYSA-N 1 0 240.307 0.287 10 0 BCAERO C[NH+](C)C[C@H]1CN(CCc2cccnc2)CCO1 ZINC000172163354 384539647 /nfs/dbraw/zinc/53/96/47/384539647.db2.gz YEWQBBCHRNQTNJ-AWEZNQCLSA-N 1 0 249.358 0.887 10 0 BCAERO CSCC[C@H]([NH3+])C(=O)NCc1ccoc1 ZINC000163193294 384570087 /nfs/dbraw/zinc/57/00/87/384570087.db2.gz XHDDYXZYTCVUJU-VIFPVBQESA-N 1 0 228.317 0.976 10 0 BCAERO CC(C)[C@H]([NH3+])C(=O)NC[C@@H](O)C(C)C ZINC000163249752 384570401 /nfs/dbraw/zinc/57/04/01/384570401.db2.gz VZHBUMUNCWKVAK-BDAKNGLRSA-N 1 0 202.298 0.103 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N1CCN(CC(F)F)CC1 ZINC000236807004 384575976 /nfs/dbraw/zinc/57/59/76/384575976.db2.gz RTSUXFYFKARJDD-VIFPVBQESA-N 1 0 249.305 0.523 10 0 BCAERO CCSCC[C@H](C)NC(=O)C1C[NH2+]C1 ZINC000164147093 384581915 /nfs/dbraw/zinc/58/19/15/384581915.db2.gz GMVVUOWQQSLDEW-QMMMGPOBSA-N 1 0 216.350 0.854 10 0 BCAERO CO[C@H]1C[NH2+][C@@H](C(=O)NCC(F)(F)F)C1 ZINC000040630945 384588627 /nfs/dbraw/zinc/58/86/27/384588627.db2.gz AFFNRNPPFSOMOV-PHDIDXHHSA-N 1 0 226.198 0.042 10 0 BCAERO C[C@H](CO)N(C)C(=O)N[C@H]1CC[C@H]([NH+](C)C)C1 ZINC000338668804 384604443 /nfs/dbraw/zinc/60/44/43/384604443.db2.gz OLIRAVOCKUGEAX-VWYCJHECSA-N 1 0 243.351 0.491 10 0 BCAERO Cc1cnn(CC[NH2+][C@H]2CN(C)C[C@@H]2C)c1 ZINC000309798185 384613386 /nfs/dbraw/zinc/61/33/86/384613386.db2.gz QQDPWWQFPLJFKF-RYUDHWBXSA-N 1 0 222.336 0.731 10 0 BCAERO COC[C@@H](C)C(=O)N1CCC[N@H+](C)CC1 ZINC000103534344 384628543 /nfs/dbraw/zinc/62/85/43/384628543.db2.gz JKDWERKSBXBNIE-SNVBAGLBSA-N 1 0 214.309 0.433 10 0 BCAERO [NH3+]C[C@H]1CC[C@@]2(CC[N@H+](CC(=O)[O-])C2)C1 ZINC000100279297 384630210 /nfs/dbraw/zinc/63/02/10/384630210.db2.gz JUOYGIFQPIJBAF-GXSJLCMTSA-N 1 0 212.293 0.522 10 0 BCAERO COC[C@H](C)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000103435054 384631559 /nfs/dbraw/zinc/63/15/59/384631559.db2.gz FTKDYHDPCAEJGV-NWDGAFQWSA-N 1 0 240.347 0.966 10 0 BCAERO COC(=O)[C@H](C)NC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000084309701 384664212 /nfs/dbraw/zinc/66/42/12/384664212.db2.gz RQVXZEWEXIRRRL-DJLDLDEBSA-N 1 0 228.292 0.039 10 0 BCAERO O=S1(=O)CC([NH2+][C@@H]2CCCSC2)C1 ZINC000258771706 384664441 /nfs/dbraw/zinc/66/44/41/384664441.db2.gz FIELHRYEWMIWRF-SSDOTTSWSA-N 1 0 221.347 0.269 10 0 BCAERO Cc1cc(CN2C[C@H]([NH3+])[C@@H](C)C2)nn1C ZINC000647538839 384671955 /nfs/dbraw/zinc/67/19/55/384671955.db2.gz KFZLXFUZQKSPSK-KWQFWETISA-N 1 0 208.309 0.508 10 0 BCAERO CCC[C@H]([NH3+])C(=O)NCCSCC(=O)OC ZINC000236859253 384672666 /nfs/dbraw/zinc/67/26/66/384672666.db2.gz VXZJUHINPYIFCE-QMMMGPOBSA-N 1 0 248.348 0.136 10 0 BCAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]CCn1ccnc1 ZINC000309817388 384637336 /nfs/dbraw/zinc/63/73/36/384637336.db2.gz VNRRZQMKWIWNPD-UWVGGRQHSA-N 1 0 222.292 0.140 10 0 BCAERO COC[C@H](C)NC(=O)[C@H]1C[C@H](C)CC[NH2+]1 ZINC000167375511 384660016 /nfs/dbraw/zinc/66/00/16/384660016.db2.gz IKZLJUXMXZTUAV-KXUCPTDWSA-N 1 0 214.309 0.526 10 0 BCAERO CC(C)(C)S(=O)(=O)N[C@@H]1CC[C@H]([NH3+])C1 ZINC000258975298 384725159 /nfs/dbraw/zinc/72/51/59/384725159.db2.gz AHDAEOBMLOYYSC-JGVFFNPUSA-N 1 0 220.338 0.584 10 0 BCAERO Cc1cnc(N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)nc1 ZINC000301826966 384677809 /nfs/dbraw/zinc/67/78/09/384677809.db2.gz FLRSHCFZKIGMQW-WDEREUQCSA-N 1 0 234.303 0.304 10 0 BCAERO COCC(C)(C)C[N@@H+]1CC[C@H]2OCCN[C@@H]2C1 ZINC000647541267 384683929 /nfs/dbraw/zinc/68/39/29/384683929.db2.gz VMDZCBXOMPVIMM-VXGBXAGGSA-N 1 0 242.363 0.722 10 0 BCAERO Cc1ccnc(N(C)[C@H]2CCC[NH2+]C2)n1 ZINC000082499988 384684778 /nfs/dbraw/zinc/68/47/78/384684778.db2.gz QQQJFTMDNXSNGO-JTQLQIEISA-N 1 0 206.293 0.973 10 0 BCAERO C[NH+](C)C[C@@H]1CN(C(=O)CC2CCC2)CCO1 ZINC000173521909 384687689 /nfs/dbraw/zinc/68/76/89/384687689.db2.gz ODTCGEKXZFFGPH-GFCCVEGCSA-N 1 0 240.347 0.966 10 0 BCAERO O=C1NC[C@@H](C[N@H+]2CCCC[C@@H]2CCO)O1 ZINC000049957284 384690973 /nfs/dbraw/zinc/69/09/73/384690973.db2.gz LEXVYOZUGCLAQW-ZJUUUORDSA-N 1 0 228.292 0.332 10 0 BCAERO COC[C@]1(C(=O)N(C)[C@@H]2CCOC2)CCC[NH2+]1 ZINC000643680189 384709746 /nfs/dbraw/zinc/70/97/46/384709746.db2.gz GRIXJDGXXFQTPU-PWSUYJOCSA-N 1 0 242.319 0.002 10 0 BCAERO O=S1(=O)CCC([NH2+]C2CSC2)CC1 ZINC000258940156 384710417 /nfs/dbraw/zinc/71/04/17/384710417.db2.gz RKDAFQPXGAGTLJ-UHFFFAOYSA-N 1 0 221.347 0.269 10 0 BCAERO CCC[C@H]([NH3+])C(=O)NC[C@H](C)C(=O)OCC ZINC000236872622 384717915 /nfs/dbraw/zinc/71/79/15/384717915.db2.gz XUSBPJSCXPNLAF-IUCAKERBSA-N 1 0 230.308 0.429 10 0 BCAERO COC[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000125867146 384718162 /nfs/dbraw/zinc/71/81/62/384718162.db2.gz QQJWDXBBBSVCJA-LPEHRKFASA-N 1 0 203.282 0.103 10 0 BCAERO COCC[N@H+](C)CCNC(=O)[C@@H]1CC[C@@H](C)O1 ZINC000151752570 384748315 /nfs/dbraw/zinc/74/83/15/384748315.db2.gz BHVYSEGIPNPYTL-MNOVXSKESA-N 1 0 244.335 0.248 10 0 BCAERO CN(CC[NH3+])c1ccnc2c1cnn2C ZINC000107197194 384779602 /nfs/dbraw/zinc/77/96/02/384779602.db2.gz NLNFLMQDQXYSEQ-UHFFFAOYSA-N 1 0 205.265 0.363 10 0 BCAERO CCOC(=O)CN1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000601327227 384764519 /nfs/dbraw/zinc/76/45/19/384764519.db2.gz SWBDJQIPGPQVCB-BDAKNGLRSA-N 1 0 200.282 0.076 10 0 BCAERO C[C@H](C[NH3+])Nc1ccnc2c1cnn2C ZINC000107197207 384780601 /nfs/dbraw/zinc/78/06/01/384780601.db2.gz UJLAILXEMNPEEV-SSDOTTSWSA-N 1 0 205.265 0.727 10 0 BCAERO Nn1cnnc1SC[C@@H]1CCC[NH2+]C1 ZINC000043471883 384837638 /nfs/dbraw/zinc/83/76/38/384837638.db2.gz KQIMGWWDWJKVFG-SSDOTTSWSA-N 1 0 213.310 0.084 10 0 BCAERO COC(=O)[C@H](C)NC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054307256 384830052 /nfs/dbraw/zinc/83/00/52/384830052.db2.gz RWYIEBRRYYIZMD-IUCAKERBSA-N 1 0 228.292 0.054 10 0 BCAERO Cc1c(C[NH2+]CCSCCCO)cnn1C ZINC000126233490 384781553 /nfs/dbraw/zinc/78/15/53/384781553.db2.gz LFHKKFKHYSACNM-UHFFFAOYSA-N 1 0 243.376 0.934 10 0 BCAERO CC[C@H]([NH2+][C@H]1CCc2nccn2C1)C(N)=O ZINC000310022747 384789955 /nfs/dbraw/zinc/78/99/55/384789955.db2.gz OCYHWLIGXGHNCT-IUCAKERBSA-N 1 0 222.292 0.051 10 0 BCAERO C[C@@H]([NH2+]C(CO)CO)C1CCCCC1 ZINC000083692606 384793527 /nfs/dbraw/zinc/79/35/27/384793527.db2.gz OVRZXTJFEOUNAH-SECBINFHSA-N 1 0 201.310 0.898 10 0 BCAERO C[C@@H]([NH2+]C(CO)CO)c1ccc(F)cc1 ZINC000083692986 384794100 /nfs/dbraw/zinc/79/41/00/384794100.db2.gz BYWBTDRRVQELIQ-MRVPVSSYSA-N 1 0 213.252 0.830 10 0 BCAERO COC(C)(C)C[C@@H](C)[NH2+]C(CO)CO ZINC000083689813 384794606 /nfs/dbraw/zinc/79/46/06/384794606.db2.gz OPVFVEUOMCGDSD-MRVPVSSYSA-N 1 0 205.298 0.133 10 0 BCAERO CC1(C)CCN(C(=O)[C@H]2C[NH2+]CCOC2)C1 ZINC000643689405 384836334 /nfs/dbraw/zinc/83/63/34/384836334.db2.gz FNFFFEQFGWRHFK-JTQLQIEISA-N 1 0 226.320 0.481 10 0 BCAERO CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@H](O)C(C)C ZINC000163400175 384804701 /nfs/dbraw/zinc/80/47/01/384804701.db2.gz FXEDPIFNRGXFOQ-LPEHRKFASA-N 1 0 216.325 0.493 10 0 BCAERO CC[C@H]1CN(CCOC)CC[N@@H+]1CCOC ZINC000105836570 384806816 /nfs/dbraw/zinc/80/68/16/384806816.db2.gz CNMFWIZFZZOYDL-LBPRGKRZSA-N 1 0 230.352 0.675 10 0 BCAERO Cn1cncc1CCCn1cc(C(C)(C)[NH3+])nn1 ZINC000314824209 384807387 /nfs/dbraw/zinc/80/73/87/384807387.db2.gz YTVDNQFBGQSSBV-UHFFFAOYSA-N 1 0 248.334 0.838 10 0 BCAERO CO[C@@H]1C[C@@H](CO)[N@H+](CCCSC)C1 ZINC000308569104 384810972 /nfs/dbraw/zinc/81/09/72/384810972.db2.gz JGHGZFASEJJGMY-VHSXEESVSA-N 1 0 219.350 0.821 10 0 BCAERO CC(C)OCC(=O)N[C@H]1CCC[NH2+][C@@H]1C ZINC000165004668 384882391 /nfs/dbraw/zinc/88/23/91/384882391.db2.gz PUMBZLKYBRVHLY-ZJUUUORDSA-N 1 0 214.309 0.668 10 0 BCAERO C[C@H](NC(=O)[C@H]1C[NH2+]CCOC1)C1CCCC1 ZINC000643689626 384839007 /nfs/dbraw/zinc/83/90/07/384839007.db2.gz MHEHUNOEHSAOEZ-JQWIXIFHSA-N 1 0 240.347 0.917 10 0 BCAERO COC[C@@H](C)[NH2+][C@@H]1CCC(=O)NC1(C)C ZINC000336755666 384840461 /nfs/dbraw/zinc/84/04/61/384840461.db2.gz IBGKVKQICWMHOT-RKDXNWHRSA-N 1 0 214.309 0.668 10 0 BCAERO C(c1nc([C@H]2CCCO2)n[nH]1)N1CC[NH2+]CC1 ZINC000072236824 384844400 /nfs/dbraw/zinc/84/44/00/384844400.db2.gz YQHICEXOAJUCBT-SECBINFHSA-N 1 0 237.307 0.061 10 0 BCAERO CCOCCN1CCO[C@H](Cn2cccn2)C1 ZINC000105920861 384892877 /nfs/dbraw/zinc/89/28/77/384892877.db2.gz VMOVSBXMHCMASL-LBPRGKRZSA-N 1 0 239.319 0.620 10 0 BCAERO C[NH+](C)C[C@@H]1CN(Cc2ccccn2)CCO1 ZINC000105924523 384893282 /nfs/dbraw/zinc/89/32/82/384893282.db2.gz WFTPSNUNMHDMMY-CYBMUJFWSA-N 1 0 235.331 0.844 10 0 BCAERO COC[C@]1(C(=O)NC[C@H]2CC2(C)C)CCC[NH2+]1 ZINC000643693289 384898764 /nfs/dbraw/zinc/89/87/64/384898764.db2.gz ITDPQTDSKJCDLM-MFKMUULPSA-N 1 0 240.347 0.917 10 0 BCAERO CC(C)NC(=O)N1CC[C@H]2OCC[NH2+][C@H]2C1 ZINC000404115741 384900581 /nfs/dbraw/zinc/90/05/81/384900581.db2.gz CCHYUFAVVIOSJY-VHSXEESVSA-N 1 0 227.308 0.167 10 0 BCAERO CC1(C)C[C@H]1CNC(=O)[C@H]1C[NH2+]CCOC1 ZINC000643694027 384900964 /nfs/dbraw/zinc/90/09/64/384900964.db2.gz GKCISTQXHHZGGR-UWVGGRQHSA-N 1 0 226.320 0.385 10 0 BCAERO C[NH+](C)C[C@@H]1CN(C(=O)C2CC=CC2)CCO1 ZINC000152026401 384912513 /nfs/dbraw/zinc/91/25/13/384912513.db2.gz QGVUGWPNDPJKCZ-GFCCVEGCSA-N 1 0 238.331 0.742 10 0 BCAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]CCCn1ccnc1 ZINC000282522619 384919699 /nfs/dbraw/zinc/91/96/99/384919699.db2.gz YIQYPDKJLIPZJB-QWRGUYRKSA-N 1 0 236.319 0.530 10 0 BCAERO C[NH+](C)CC(=O)N[C@H]1CCN(c2ccccc2)C1 ZINC000106920295 384941385 /nfs/dbraw/zinc/94/13/85/384941385.db2.gz BPMSDDHWDBDQSA-LBPRGKRZSA-N 1 0 247.342 0.943 10 0 BCAERO C[C@H](C(=O)NC[C@H]1CCCC[C@@H]1O)C1C[NH2+]C1 ZINC000164597208 384964801 /nfs/dbraw/zinc/96/48/01/384964801.db2.gz QXAXTZGHPQRHSY-UMNHJUIQSA-N 1 0 240.347 0.509 10 0 BCAERO CCN(CC)C(=O)N1CC[C@H]2OCC[NH2+][C@@H]2C1 ZINC000404110706 384971390 /nfs/dbraw/zinc/97/13/90/384971390.db2.gz AOWHLNXOLDEFLI-GHMZBOCLSA-N 1 0 241.335 0.511 10 0 BCAERO CC[N@H+](CCO)CCNc1cncc(C)n1 ZINC000302214184 384972777 /nfs/dbraw/zinc/97/27/77/384972777.db2.gz GHRRUDHIGLKIMX-UHFFFAOYSA-N 1 0 224.308 0.511 10 0 BCAERO C[C@@H]1OCC[C@H]1Nc1cc[nH+]cc1C(N)=O ZINC000302178126 384978778 /nfs/dbraw/zinc/97/87/78/384978778.db2.gz XDZHYRIUGMUXLJ-IONNQARKSA-N 1 0 221.260 0.770 10 0 BCAERO [NH3+][C@H]1CC[C@@H](C(=O)NCCOCC2CC2)C1 ZINC000226325916 384980336 /nfs/dbraw/zinc/98/03/36/384980336.db2.gz WDHGPMUEGXLGOS-MNOVXSKESA-N 1 0 226.320 0.657 10 0 BCAERO C[C@@H](O)CCN(C)C(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634754571 384981766 /nfs/dbraw/zinc/98/17/66/384981766.db2.gz DZQDJHXPPRVMGF-MDZLAQPJSA-N 1 0 240.347 0.605 10 0 BCAERO COC(=O)C[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000307340112 384989382 /nfs/dbraw/zinc/98/93/82/384989382.db2.gz ITAILEFIIHBNST-IVZWLZJFSA-N 1 0 213.277 0.252 10 0 BCAERO Cc1nocc1C[NH2+][C@H]1CCC(=O)N[C@H]1C ZINC000339388995 384991448 /nfs/dbraw/zinc/99/14/48/384991448.db2.gz CISLXRJHIVCVCC-WPRPVWTQSA-N 1 0 223.276 0.740 10 0 BCAERO COC[C@@H]1CCCN(C(=O)[C@@H]2CC[C@@H]([NH3+])C2)C1 ZINC000226340706 384994141 /nfs/dbraw/zinc/99/41/41/384994141.db2.gz OKMAZHMBNVIYRJ-IJLUTSLNSA-N 1 0 240.347 0.999 10 0 BCAERO C[C@H](O)CCN(C)C(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000226360634 384996931 /nfs/dbraw/zinc/99/69/31/384996931.db2.gz ATVLEXWLPALJTC-LPEHRKFASA-N 1 0 214.309 0.343 10 0 BCAERO Cn1nccc1CN1CCO[C@H](C[NH+](C)C)C1 ZINC000128193589 385010328 /nfs/dbraw/zinc/01/03/28/385010328.db2.gz WVTRELYSSFBWRG-GFCCVEGCSA-N 1 0 238.335 0.183 10 0 BCAERO Cc1cnc(N(C)C2CC[NH2+]CC2)nc1 ZINC000259511882 384963639 /nfs/dbraw/zinc/96/36/39/384963639.db2.gz QYIIAVQPNNWUJM-UHFFFAOYSA-N 1 0 206.293 0.973 10 0 BCAERO Cc1c(C[NH2+]CCN2CCCC2)cnn1C ZINC000086551883 385027438 /nfs/dbraw/zinc/02/74/38/385027438.db2.gz BYJPPRWNEOBKCA-UHFFFAOYSA-N 1 0 222.336 0.914 10 0 BCAERO Cn1nccc1[C@@H]1[C@@H]([NH3+])CCC(=O)N1C ZINC000164787138 385042344 /nfs/dbraw/zinc/04/23/44/385042344.db2.gz GECWGZMABPIRPP-XVKPBYJWSA-N 1 0 208.265 0.041 10 0 BCAERO O=C([C@@H]1C[NH2+]CCOC1)N1CCCSCC1 ZINC000643767944 385046846 /nfs/dbraw/zinc/04/68/46/385046846.db2.gz JNWKSVOSIZOWNM-SNVBAGLBSA-N 1 0 244.360 0.188 10 0 BCAERO C[C@@H]1C(=O)NCCC[N@H+]1Cc1ccc(CO)cc1 ZINC000189282365 385141501 /nfs/dbraw/zinc/14/15/01/385141501.db2.gz LECJENDYNQTYBC-LLVKDONJSA-N 1 0 248.326 0.889 10 0 BCAERO [NH3+][C@H]1CCC[C@@H](C(=O)NCCc2ncc[nH]2)C1 ZINC000157257470 385115642 /nfs/dbraw/zinc/11/56/42/385115642.db2.gz IPJMPPZDAIRLNT-ZJUUUORDSA-N 1 0 236.319 0.586 10 0 BCAERO C[NH+](C)C[C@@H]1CN(c2ncccn2)CCO1 ZINC000108951790 385118481 /nfs/dbraw/zinc/11/84/81/385118481.db2.gz JVTOSWQLHBYQLR-SNVBAGLBSA-N 1 0 222.292 0.243 10 0 BCAERO COc1ncc(Cl)c(N2C[C@@H](C)[C@@H]([NH3+])C2)n1 ZINC000235051173 385118855 /nfs/dbraw/zinc/11/88/55/385118855.db2.gz QZWHOSMIZROIGW-SVRRBLITSA-N 1 0 242.710 0.922 10 0 BCAERO [NH3+][C@H]1CCC[C@H](C(=O)N[C@@H]2CCCC[C@H]2O)C1 ZINC000227327828 385123564 /nfs/dbraw/zinc/12/35/64/385123564.db2.gz AAIRHZPDFCORJV-NNYUYHANSA-N 1 0 240.347 0.924 10 0 BCAERO Cc1nocc1C(=O)N1CC[C@@H]([NH3+])[C@H]1C ZINC000402667784 385095935 /nfs/dbraw/zinc/09/59/35/385095935.db2.gz QYBXGWGNMRGXKN-VXNVDRBHSA-N 1 0 209.249 0.545 10 0 BCAERO C[NH+](C)[C@@H]1CCN(C(=O)c2ccc(=O)[nH]c2)C1 ZINC000062983769 385198026 /nfs/dbraw/zinc/19/80/26/385198026.db2.gz GFYWZQLFNVJKFJ-SNVBAGLBSA-N 1 0 235.287 0.151 10 0 BCAERO CN1CCO[C@@H](CNC(=O)/C=C\c2ccc[nH]2)C1 ZINC000491992184 385166020 /nfs/dbraw/zinc/16/60/20/385166020.db2.gz SRSVSDCMJJIPLJ-RXNFCKPNSA-N 1 0 249.314 0.475 10 0 BCAERO CC[C@H](C)CC(=O)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000647039848 385175145 /nfs/dbraw/zinc/17/51/45/385175145.db2.gz BCXWQHZEQPYXQI-LPEHRKFASA-N 1 0 214.309 0.119 10 0 BCAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)c1ccnc(N(C)C)c1 ZINC000647045040 385180825 /nfs/dbraw/zinc/18/08/25/385180825.db2.gz XDQASWWOWDAACW-MWLCHTKSSA-N 1 0 248.330 0.709 10 0 BCAERO CO[C@@H]1C[C@H](CO)[N@H+](C[C@@H]2CCOC2)C1 ZINC000308813156 385180855 /nfs/dbraw/zinc/18/08/55/385180855.db2.gz AFPUEWJKBQYTFN-HBNTYKKESA-N 1 0 215.293 0.105 10 0 BCAERO COC[C@@H](C)C[N@@H+]1CCC[C@@H]1C(=O)OC ZINC000189616490 385226439 /nfs/dbraw/zinc/22/64/39/385226439.db2.gz UHLSVCYPMQEWRZ-VHSXEESVSA-N 1 0 215.293 0.906 10 0 BCAERO CC(C)[C@@H]([NH3+])CC(=O)N(C)Cc1cc[nH]n1 ZINC000400057083 385233729 /nfs/dbraw/zinc/23/37/29/385233729.db2.gz ZQQJUFRIDSGRQD-JTQLQIEISA-N 1 0 224.308 0.742 10 0 BCAERO C(Nc1nc(C2CC2)ns1)[C@H]1C[NH2+]CCO1 ZINC000227786633 385233947 /nfs/dbraw/zinc/23/39/47/385233947.db2.gz OENWWSZIZQRRBV-MRVPVSSYSA-N 1 0 240.332 0.816 10 0 BCAERO CO[C@H]1C[C@@H](CO)[N@H+](Cc2cnn(C)c2)C1 ZINC000343973859 385243048 /nfs/dbraw/zinc/24/30/48/385243048.db2.gz HHGTUCRSPBICFG-QWRGUYRKSA-N 1 0 225.292 0.002 10 0 BCAERO CO[C@@H]1C[C@@H](CO)[N@H+](CCCCCO)C1 ZINC000308886068 385251216 /nfs/dbraw/zinc/25/12/16/385251216.db2.gz GEKYXDYTEQBYQO-WDEREUQCSA-N 1 0 217.309 0.231 10 0 BCAERO CC(C)[C@H](O)C[NH2+][C@@H]1CCC(=O)N[C@@H]1C ZINC000308937277 385305809 /nfs/dbraw/zinc/30/58/09/385305809.db2.gz OPOCNWPDMSVAIB-OPRDCNLKSA-N 1 0 214.309 0.260 10 0 BCAERO Cc1ccc(NC(=O)[C@H]2CC[NH2+]C2)cn1 ZINC000164842330 385313361 /nfs/dbraw/zinc/31/33/61/385313361.db2.gz NBXOGCAYASNPDI-VIFPVBQESA-N 1 0 205.261 0.938 10 0 BCAERO Cc1nccc(C(=O)NCC[C@@H](C)[NH3+])n1 ZINC000178670082 385315826 /nfs/dbraw/zinc/31/58/26/385315826.db2.gz LBNVNMVSQDISKJ-SSDOTTSWSA-N 1 0 208.265 0.252 10 0 BCAERO C[C@H](NC(=O)[C@H]1CCCC[NH2+]1)[C@@H]1CCCO1 ZINC000157992352 385322660 /nfs/dbraw/zinc/32/26/60/385322660.db2.gz YMRLWWAYHHKLHN-AXFHLTTASA-N 1 0 226.320 0.812 10 0 BCAERO CO[C@H](C)C[N@@H+]1C[C@H](OC)C[C@@H]1CO ZINC000344682495 385288559 /nfs/dbraw/zinc/28/85/59/385288559.db2.gz SNXSBJJILIOVER-OPRDCNLKSA-N 1 0 203.282 0.103 10 0 BCAERO COc1c(C[NH2+]C[C@H](C)OC)c(C)nn1C ZINC000191200499 385290990 /nfs/dbraw/zinc/29/09/90/385290990.db2.gz VRHNGTOTNPCCJF-QMMMGPOBSA-N 1 0 227.308 0.862 10 0 BCAERO CCc1nn(C)cc1CNC(=O)[C@@H]([NH3+])C(C)C ZINC000164959527 385329594 /nfs/dbraw/zinc/32/95/94/385329594.db2.gz NMKDQCTVIRZFSI-NSHDSACASA-N 1 0 238.335 0.582 10 0 BCAERO O=C(NCC1CCSCC1)[C@H]1CC[NH2+]C1 ZINC000158041422 385330083 /nfs/dbraw/zinc/33/00/83/385330083.db2.gz WEQHZRMXHTTZCB-JTQLQIEISA-N 1 0 228.361 0.855 10 0 BCAERO C[C@H]([NH2+]CC(=O)N1CCC1)[C@@H]1CCCO1 ZINC000308988343 385334105 /nfs/dbraw/zinc/33/41/05/385334105.db2.gz KKCIPNHGCWTFOG-UWVGGRQHSA-N 1 0 212.293 0.376 10 0 BCAERO C[C@@H]1CN(C(=O)COC(C)(C)C)CC[NH2+]1 ZINC000164996264 385334474 /nfs/dbraw/zinc/33/44/74/385334474.db2.gz WLUGIHGSXLTZHC-SECBINFHSA-N 1 0 214.309 0.622 10 0 BCAERO O=C(NC1CCSCC1)[C@H]1CC[NH2+]C1 ZINC000158061089 385338344 /nfs/dbraw/zinc/33/83/44/385338344.db2.gz KGJDLWIPPVVKJN-QMMMGPOBSA-N 1 0 214.334 0.608 10 0 BCAERO Cc1nocc1C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000402860697 385363518 /nfs/dbraw/zinc/36/35/18/385363518.db2.gz ZJZDZUDAJBLESE-PSASIEDQSA-N 1 0 223.276 0.853 10 0 BCAERO CCCN(CC(C)C)C(=O)[C@@H]([NH3+])COC ZINC000309019641 385372980 /nfs/dbraw/zinc/37/29/80/385372980.db2.gz SZKLHZJBRIQTED-JTQLQIEISA-N 1 0 216.325 0.855 10 0 BCAERO CCC[C@H](C)[N@@H+]1CCC[C@](O)(C(N)=O)C1 ZINC000309034049 385381241 /nfs/dbraw/zinc/38/12/41/385381241.db2.gz DTLMILRERNAAOE-GXSJLCMTSA-N 1 0 214.309 0.487 10 0 BCAERO CCCCC[N@@H+]1CCC[C@@](O)(C(N)=O)C1 ZINC000309042360 385388186 /nfs/dbraw/zinc/38/81/86/385388186.db2.gz KUFXTFAQYYHEAJ-NSHDSACASA-N 1 0 214.309 0.489 10 0 BCAERO c1cn2c(n1)CC[C@H]([NH2+][C@H]1CCOC1)C2 ZINC000308985547 385325983 /nfs/dbraw/zinc/32/59/83/385325983.db2.gz JNLXZHVXHJFXKC-UWVGGRQHSA-N 1 0 207.277 0.576 10 0 BCAERO CCOC(=O)[C@H](C)N1CC[C@H]([NH+](C)C)C1 ZINC000062966275 385410030 /nfs/dbraw/zinc/41/00/30/385410030.db2.gz XNRZVGCWXTUVJV-UWVGGRQHSA-N 1 0 214.309 0.574 10 0 BCAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]C[C@H]1CCOC1 ZINC000309158724 385441265 /nfs/dbraw/zinc/44/12/65/385441265.db2.gz YDOVTZMOEXBMNX-IVZWLZJFSA-N 1 0 212.293 0.280 10 0 BCAERO C[NH+](C)[C@H]1CCN(C(=O)C2=COCCO2)C1 ZINC000170863115 385451153 /nfs/dbraw/zinc/45/11/53/385451153.db2.gz ZDFIPDQVOKIBCH-VIFPVBQESA-N 1 0 226.276 0.037 10 0 BCAERO Cc1cc(C(=O)N2CC[C@@H]([NH+](C)C)C2)[nH]n1 ZINC000170864883 385451228 /nfs/dbraw/zinc/45/12/28/385451228.db2.gz UAUCHOJSHDCUTF-SECBINFHSA-N 1 0 222.292 0.494 10 0 BCAERO Cn1cc(CC(=O)N2CC[C@@H]([NH+](C)C)C2)cn1 ZINC000170868102 385453170 /nfs/dbraw/zinc/45/31/70/385453170.db2.gz GWLDGNKBYUROHF-LLVKDONJSA-N 1 0 236.319 0.125 10 0 BCAERO CN(CCO)C(=O)N[C@@H]1CC[C@H]([NH+](C)C)C1 ZINC000342102949 385437564 /nfs/dbraw/zinc/43/75/64/385437564.db2.gz UTUVZAWOQFQSHT-ZJUUUORDSA-N 1 0 229.324 0.103 10 0 BCAERO Cn1cc(CC(=O)N2CC[N@@H+]3CCC[C@H]3C2)cn1 ZINC000171278813 385475570 /nfs/dbraw/zinc/47/55/70/385475570.db2.gz OABVLMAOBQQCEW-LBPRGKRZSA-N 1 0 248.330 0.269 10 0 BCAERO O=C(c1ccc[nH]1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171585305 385498316 /nfs/dbraw/zinc/49/83/16/385498316.db2.gz RSPHCLZRLBDJLV-SNVBAGLBSA-N 1 0 219.288 0.935 10 0 BCAERO COc1cc(C)nc(N2CC[NH2+]C[C@H]2C)n1 ZINC000166473562 385503906 /nfs/dbraw/zinc/50/39/06/385503906.db2.gz RDPKIOGOKHDVQS-SECBINFHSA-N 1 0 222.292 0.592 10 0 BCAERO CO[C@H]1C[C@H](CO)[N@H+](CCOC(C)(C)C)C1 ZINC000309264785 385504135 /nfs/dbraw/zinc/50/41/35/385504135.db2.gz JESRGAKNQPJMFT-MNOVXSKESA-N 1 0 231.336 0.883 10 0 BCAERO CC[C@H](O)C[N@@H+]1CCN(C[C@@H](C)O)[C@H](C)C1 ZINC000106386500 385507673 /nfs/dbraw/zinc/50/76/73/385507673.db2.gz PCFJMVSMUONIBW-UTUOFQBUSA-N 1 0 230.352 0.144 10 0 BCAERO CN1C(=O)CC[C@H]([NH2+][C@@H]2CCC2(C)C)C1=O ZINC000309291472 385513041 /nfs/dbraw/zinc/51/30/41/385513041.db2.gz JTAFLFMHVBENDN-DTWKUNHWSA-N 1 0 224.304 0.912 10 0 BCAERO CC(=O)N[C@H](C(=O)N1CC[C@H]([NH3+])[C@H]1C)C(C)C ZINC000644147645 385541495 /nfs/dbraw/zinc/54/14/95/385541495.db2.gz CHVZPCSZDBYKIK-MIMYLULJSA-N 1 0 241.335 0.095 10 0 BCAERO CC(F)(F)C[C@]1([NH3+])CCS(=O)(=O)C1 ZINC000257986382 385522427 /nfs/dbraw/zinc/52/24/27/385522427.db2.gz DXWABFYTCWAOFU-SSDOTTSWSA-N 1 0 213.249 0.548 10 0 BCAERO CO[C@@H]1C[C@H](CO)[N@H+](CC[C@@H]2CCCO2)C1 ZINC000309315641 385526566 /nfs/dbraw/zinc/52/65/66/385526566.db2.gz YRTGOPPMHYOQGU-GRYCIOLGSA-N 1 0 229.320 0.637 10 0 BCAERO O=S1(=O)CC([NH2+]C2CCCCC2)C1 ZINC000258027361 385528495 /nfs/dbraw/zinc/52/84/95/385528495.db2.gz IKABEKACUQSYQG-UHFFFAOYSA-N 1 0 203.307 0.706 10 0 BCAERO C[C@@H]([NH2+]CCC(=O)NC(N)=O)c1cccs1 ZINC000309382913 385556994 /nfs/dbraw/zinc/55/69/94/385556994.db2.gz DPWGCIJPHRDZHV-SSDOTTSWSA-N 1 0 241.316 0.984 10 0 BCAERO C[C@@H](CCC[NH3+])Nc1cnn(C)c(=O)c1Cl ZINC000309403917 385571208 /nfs/dbraw/zinc/57/12/08/385571208.db2.gz JKDXQFZQDQMHAL-ZETCQYMHSA-N 1 0 244.726 0.973 10 0 BCAERO C[NH2+][C@H](C)C(=O)NCc1cnc(C)s1 ZINC000054076501 385594528 /nfs/dbraw/zinc/59/45/28/385594528.db2.gz XXLHJZQAZCHVHS-ZCFIWIBFSA-N 1 0 213.306 0.676 10 0 BCAERO C[NH2+][C@H](C)C(=O)N(C)Cc1cscn1 ZINC000054076704 385594534 /nfs/dbraw/zinc/59/45/34/385594534.db2.gz CAYMPLUCGQZFNG-SSDOTTSWSA-N 1 0 213.306 0.709 10 0 BCAERO C[NH2+][C@H](C)C(=O)Nc1cccc(C(N)=O)c1 ZINC000054076400 385595094 /nfs/dbraw/zinc/59/50/94/385595094.db2.gz HBDOCPDIOQZYQT-SSDOTTSWSA-N 1 0 221.260 0.332 10 0 BCAERO C[NH2+][C@H](C)C(=O)N(C)Cc1ccncc1 ZINC000054072327 385595821 /nfs/dbraw/zinc/59/58/21/385595821.db2.gz SLBHKDDLRSKRRJ-SECBINFHSA-N 1 0 207.277 0.648 10 0 BCAERO C[NH2+][C@H](C)C(=O)N1CCOC(C)(C)C1 ZINC000054072564 385595873 /nfs/dbraw/zinc/59/58/73/385595873.db2.gz LUROGRCSZCZVJV-MRVPVSSYSA-N 1 0 200.282 0.232 10 0 BCAERO CC[C@H]1COCCN1C(=O)[C@@H](C)[NH2+]C ZINC000054072575 385596197 /nfs/dbraw/zinc/59/61/97/385596197.db2.gz ZDWHPPNLZPCMAW-BDAKNGLRSA-N 1 0 200.282 0.232 10 0 BCAERO CC[C@H]1CN(C(=O)[C@@H](C)[NH2+]C)CCO1 ZINC000054072315 385596279 /nfs/dbraw/zinc/59/62/79/385596279.db2.gz ZREAKLWVOXJUBL-BDAKNGLRSA-N 1 0 200.282 0.232 10 0 BCAERO CCCCN(C)S(=O)(=O)NCC[C@@H](C)[NH3+] ZINC000063171150 385601153 /nfs/dbraw/zinc/60/11/53/385601153.db2.gz GZVKBAVMLREVOD-SECBINFHSA-N 1 0 237.369 0.290 10 0 BCAERO CC[C@H]([NH3+])C(=O)NC1CCC(O)CC1 ZINC000036871056 385588007 /nfs/dbraw/zinc/58/80/07/385588007.db2.gz WQHAWBHLCOKBHK-HACHORDNSA-N 1 0 200.282 0.143 10 0 BCAERO CC[C@@H]([NH3+])C(=O)NC1CCC(O)CC1 ZINC000036871057 385588033 /nfs/dbraw/zinc/58/80/33/385588033.db2.gz WQHAWBHLCOKBHK-AMDVSUOASA-N 1 0 200.282 0.143 10 0 BCAERO C[C@H]([NH2+]C[C@H](O)CN(C)C1CC1)[C@@H]1CCCO1 ZINC000336677014 385605986 /nfs/dbraw/zinc/60/59/86/385605986.db2.gz CIVDZQZSSWLOHO-DRZSPHRISA-N 1 0 242.363 0.599 10 0 BCAERO COCc1noc(C[C@@H]2CCC[NH2+]C2)n1 ZINC000054301546 385613914 /nfs/dbraw/zinc/61/39/14/385613914.db2.gz USENJQBHBFQSGP-QMMMGPOBSA-N 1 0 211.265 0.758 10 0 BCAERO C[NH2+][C@H](C)C(=O)Nc1ccc2c(c1)OCO2 ZINC000055421337 385642225 /nfs/dbraw/zinc/64/22/25/385642225.db2.gz VOLVHCVCPRTSRT-SSDOTTSWSA-N 1 0 222.244 0.962 10 0 BCAERO CC1[C@H](C)N2O[C@@](C)(O)C[C@]2(C)[N+]1=O ZINC000003096959 168138523 /nfs/dbraw/zinc/13/85/23/168138523.db2.gz GYFXRRINFDTQRS-DJLDLDEBSA-N 1 0 200.238 0.422 10 0 BCAERO CC(C)C[C@@H](C)[N@@H+]1CCC[C@](O)(C(N)=O)C1 ZINC000336653202 385666340 /nfs/dbraw/zinc/66/63/40/385666340.db2.gz JAPLIIADYCTONF-ZYHUDNBSSA-N 1 0 228.336 0.733 10 0 BCAERO CC[C@@H]1C[C@H]1NC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000307287346 385662772 /nfs/dbraw/zinc/66/27/72/385662772.db2.gz UNPWCLATRRPAMU-BZNPZCIMSA-N 1 0 200.257 0.601 10 0 BCAERO [NH3+][C@@H]1CCc2nc(NC3CC3)ncc2C1 ZINC000253579646 385683183 /nfs/dbraw/zinc/68/31/83/385683183.db2.gz ZWPDHAYKDAKZLP-MRVPVSSYSA-N 1 0 204.277 0.867 10 0 BCAERO C[C@H]([NH2+][C@H]1CCOC[C@@H]1C)c1ncnn1C ZINC000309549765 385690006 /nfs/dbraw/zinc/69/00/06/385690006.db2.gz HUWCFKFSBSQTMQ-GUBZILKMSA-N 1 0 224.308 0.891 10 0 BCAERO CC(C)(C)OC(=O)N1CC2(C1)C[C@@H](CO)C[NH2+]2 ZINC000307292844 385694980 /nfs/dbraw/zinc/69/49/80/385694980.db2.gz DSXNGLJYROKFQX-SECBINFHSA-N 1 0 242.319 0.578 10 0 BCAERO CC(C)(C)OC(=O)N1C[C@@H]2C[NH2+]C[C@@H]2[C@H]1CO ZINC000255004118 385702115 /nfs/dbraw/zinc/70/21/15/385702115.db2.gz PEUZQFKMLQKCCY-LPEHRKFASA-N 1 0 242.319 0.434 10 0 BCAERO C[C@H]1[C@@H](O)CCC[N@@H+]1CCC(C)(C)O ZINC000307563535 385704945 /nfs/dbraw/zinc/70/49/45/385704945.db2.gz PHLKFIUYGPCBMZ-UWVGGRQHSA-N 1 0 201.310 0.993 10 0 BCAERO [NH3+][C@H]1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000055085861 385706449 /nfs/dbraw/zinc/70/64/49/385706449.db2.gz PCAIEXYWDIHNSY-UWVGGRQHSA-N 1 0 212.293 0.363 10 0 BCAERO CC[C@@H]([NH3+])CNc1nc([C@H](C)OC)ns1 ZINC000336698595 385752897 /nfs/dbraw/zinc/75/28/97/385752897.db2.gz OPYSSMCJNXRMFI-NKWVEPMBSA-N 1 0 230.337 0.817 10 0 BCAERO CC1(NC(=O)[C@@H]2C[NH2+]CCS2)CC1 ZINC000575535131 385902732 /nfs/dbraw/zinc/90/27/32/385902732.db2.gz VPTFGQUPMIVENP-ZETCQYMHSA-N 1 0 200.307 0.360 10 0 BCAERO CC(C)n1nnnc1CN1CC[NH2+]CC1(C)C ZINC000647852834 385905250 /nfs/dbraw/zinc/90/52/50/385905250.db2.gz DUCDFDOPSPWSFG-UHFFFAOYSA-N 1 0 238.339 0.438 10 0 BCAERO Cc1cc(=O)[nH]c(S[C@@H]2CC[NH2+]C2)n1 ZINC000051783992 385915319 /nfs/dbraw/zinc/91/53/19/385915319.db2.gz KAJPDCLYMDQHEP-SSDOTTSWSA-N 1 0 211.290 0.532 10 0 BCAERO CC(C)[C@@H]1OCC[C@H]1CNC(=O)[C@H](C)[NH3+] ZINC000121775865 385862646 /nfs/dbraw/zinc/86/26/46/385862646.db2.gz PIIQFDWUKLZRNO-GUBZILKMSA-N 1 0 214.309 0.511 10 0 BCAERO Nc1ncccc1[C@@H]1COCCN1CCO ZINC000616640574 385865582 /nfs/dbraw/zinc/86/55/82/385865582.db2.gz HQWRARCENMAAML-JTQLQIEISA-N 1 0 223.276 0.029 10 0 BCAERO CO[C@H]1C[C@@H](CN(C)c2cnccn2)[N@H+](C)C1 ZINC000284460080 385870873 /nfs/dbraw/zinc/87/08/73/385870873.db2.gz DVXKMFNGMIDRMI-QWRGUYRKSA-N 1 0 236.319 0.632 10 0 BCAERO C[C@@H](NC(=O)[C@H]1C[C@@H]([NH3+])C1)[C@@H]1CCCO1 ZINC000647982030 385943251 /nfs/dbraw/zinc/94/32/51/385943251.db2.gz RUQHIBHQXDSLHS-IMSYWVGJSA-N 1 0 212.293 0.407 10 0 BCAERO CN(C)c1nccc(C[NH2+]CC(C)(C)O)n1 ZINC000336768609 385951241 /nfs/dbraw/zinc/95/12/41/385951241.db2.gz RCJBGMSOIFMIKL-UHFFFAOYSA-N 1 0 224.308 0.403 10 0 BCAERO C[NH+](C)[C@@H]1CCN(C(=O)[C@@H](N)C(F)(F)F)C1 ZINC000335053492 385951883 /nfs/dbraw/zinc/95/18/83/385951883.db2.gz XKLAVGRCGOPSJW-RNFRBKRXSA-N 1 0 239.241 0.039 10 0 BCAERO Cn1cc(CCNC(=O)[C@H]2CC[C@H]([NH3+])C2)cn1 ZINC000128114961 385958438 /nfs/dbraw/zinc/95/84/38/385958438.db2.gz UCBUFNCONVRTMY-QWRGUYRKSA-N 1 0 236.319 0.206 10 0 BCAERO CN(Cc1ncc[nH]1)C[C@@H]1CCC[N@@H+]1C ZINC000643256261 386000505 /nfs/dbraw/zinc/00/05/05/386000505.db2.gz MSSKXIMZNZFRQL-JTQLQIEISA-N 1 0 208.309 0.936 10 0 BCAERO C[NH2+][C@@H](C)c1cn(C[C@H](O)C(C)(C)C)nn1 ZINC000309444907 386009325 /nfs/dbraw/zinc/00/93/25/386009325.db2.gz OWYGLCLDRGWNNN-WPRPVWTQSA-N 1 0 226.324 0.966 10 0 BCAERO C[NH2+][C@]1(C(N)=O)CCOc2ccccc21 ZINC000037869746 386105920 /nfs/dbraw/zinc/10/59/20/386105920.db2.gz KJMFPMKZZBVHOK-LLVKDONJSA-N 1 0 206.245 0.369 10 0 BCAERO C[C@@H](CCn1cccn1)[NH2+][C@@H]1C[C@H]1CO ZINC000393928210 386120419 /nfs/dbraw/zinc/12/04/19/386120419.db2.gz IKZKAPNTCBQJRM-GARJFASQSA-N 1 0 209.293 0.632 10 0 BCAERO CC[C@@H](C)CS(=O)(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000113288382 386083979 /nfs/dbraw/zinc/08/39/79/386083979.db2.gz IBXATJYGTZPFOA-MNOVXSKESA-N 1 0 248.392 0.998 10 0 BCAERO CS[C@@H]1CC[C@H]1N1CC[C@@H]([NH3+])C1=O ZINC000575566408 386088586 /nfs/dbraw/zinc/08/85/86/386088586.db2.gz RLXVUYKFLBGNSS-BWZBUEFSSA-N 1 0 200.307 0.440 10 0 BCAERO Brc1ccc(OC2C[NH2+]C2)nn1 ZINC000575567253 386091260 /nfs/dbraw/zinc/09/12/60/386091260.db2.gz KGLSMWSKLKPJBG-UHFFFAOYSA-N 1 0 230.065 0.590 10 0 BCAERO Cc1nocc1C(=O)N1CC[C@H]([NH3+])[C@H]1C ZINC000402667779 386146605 /nfs/dbraw/zinc/14/66/05/386146605.db2.gz QYBXGWGNMRGXKN-APPZFPTMSA-N 1 0 209.249 0.545 10 0 BCAERO C[C@H]([NH3+])CCN1C[C@@H](C)CS1(=O)=O ZINC000224968141 386159554 /nfs/dbraw/zinc/15/95/54/386159554.db2.gz PHSTWCPSSJXCQG-SFYZADRCSA-N 1 0 206.311 0.005 10 0 BCAERO Cn1ccc(C[NH2+]C[C@H]2CCC[C@@H]2O)n1 ZINC000097604823 386131806 /nfs/dbraw/zinc/13/18/06/386131806.db2.gz MGBJLEHGDVFSBA-KOLCDFICSA-N 1 0 209.293 0.671 10 0 BCAERO O=C(NC1CSC1)[C@@H]1CCCC[NH2+]1 ZINC000575579485 386219777 /nfs/dbraw/zinc/21/97/77/386219777.db2.gz LXFGXFVLMSNGTH-QMMMGPOBSA-N 1 0 200.307 0.360 10 0 BCAERO [NH3+]CCNC(=O)c1cc(F)c(F)c(F)c1 ZINC000063003860 386224207 /nfs/dbraw/zinc/22/42/07/386224207.db2.gz LTXUJVCJTXSXQL-UHFFFAOYSA-N 1 0 218.178 0.792 10 0 BCAERO [NH3+]C1(C(=O)NC2CSC2)CCCC1 ZINC000575580440 386232025 /nfs/dbraw/zinc/23/20/25/386232025.db2.gz UDHHUTNZMXDCCD-UHFFFAOYSA-N 1 0 200.307 0.490 10 0 BCAERO O=C(NCc1ccccc1)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000416439112 386317082 /nfs/dbraw/zinc/31/70/82/386317082.db2.gz PYUFEWHUYYZKET-NEPJUHHUSA-N 1 0 249.314 0.066 10 0 BCAERO C[C@H]1C[C@H](O)C[N@H+](Cc2cccnc2N)C1 ZINC000401898036 386274863 /nfs/dbraw/zinc/27/48/63/386274863.db2.gz LOMQZEOEPUFZOV-ONGXEEELSA-N 1 0 221.304 0.867 10 0 BCAERO Cc1cnc(CN2CC[C@@H](CCO)C2)nc1 ZINC000336699904 386386373 /nfs/dbraw/zinc/38/63/73/386386373.db2.gz JQSXMXJFKXBWBT-NSHDSACASA-N 1 0 221.304 0.989 10 0 BCAERO CC[N@H+](CC(C)(C)O)CC1(O)CCC1 ZINC000336676528 386328710 /nfs/dbraw/zinc/32/87/10/386328710.db2.gz YPPJVJWMHNEMKN-UHFFFAOYSA-N 1 0 201.310 0.994 10 0 BCAERO CCOc1cc(NC[C@@H]2C[NH2+]CCO2)ncn1 ZINC000134274807 386406957 /nfs/dbraw/zinc/40/69/57/386406957.db2.gz VTTFMJLRPKJURW-VIFPVBQESA-N 1 0 238.291 0.276 10 0 BCAERO O=C(C[NH2+]CC1CC1)N1CCn2ccnc2C1 ZINC000062254717 386506075 /nfs/dbraw/zinc/50/60/75/386506075.db2.gz YBAQPHMGXMEHMG-UHFFFAOYSA-N 1 0 234.303 0.225 10 0 BCAERO CC(C)(C[NH3+])C(=O)N1CCn2ccnc2C1 ZINC000062252341 386506963 /nfs/dbraw/zinc/50/69/63/386506963.db2.gz YXHVDKFHUVZCNJ-UHFFFAOYSA-N 1 0 222.292 0.210 10 0 BCAERO C[C@H]1CC[C@@H](O)C[N@@H+]1CC(=O)NCC1CC1 ZINC000399210987 386455394 /nfs/dbraw/zinc/45/53/94/386455394.db2.gz FZGSXICXOJKDIO-GXSJLCMTSA-N 1 0 226.320 0.358 10 0 BCAERO Nc1cc(O)c(NC2=[NH+]CCN2)cc1Cl ZINC000521401824 386463540 /nfs/dbraw/zinc/46/35/40/386463540.db2.gz PWQOUQFFRLGDGW-UHFFFAOYSA-N 1 0 226.667 0.999 10 0 BCAERO Cn1nccc1[C@@H](O)C1CC[NH+](C)CC1 ZINC000521401825 386463569 /nfs/dbraw/zinc/46/35/69/386463569.db2.gz QQJKRYUPCILMPY-NSHDSACASA-N 1 0 209.293 0.795 10 0 BCAERO CC(C)(CO)[NH2+][C@H]1CCCCNC1=O ZINC000035188336 386577375 /nfs/dbraw/zinc/57/73/75/386577375.db2.gz ABJMMYVKVUONEG-QMMMGPOBSA-N 1 0 200.282 0.016 10 0 BCAERO Cn1ccnc1CN1C[C@@H](F)C[C@@H]1C[NH3+] ZINC000238855477 386536388 /nfs/dbraw/zinc/53/63/88/386536388.db2.gz SADIJZYBXRUBQD-DTWKUNHWSA-N 1 0 212.272 0.291 10 0 BCAERO C[C@@H]([NH3+])CCNS(=O)(=O)Cc1ccccc1 ZINC000063171255 386540417 /nfs/dbraw/zinc/54/04/17/386540417.db2.gz HLDORGBNMPEZNY-SNVBAGLBSA-N 1 0 242.344 0.843 10 0 BCAERO Cc1n[nH]c(C)c1NC(=O)[C@H]1CC[NH2+]C1 ZINC000062112886 386566778 /nfs/dbraw/zinc/56/67/78/386566778.db2.gz APVDXKNMFRSCSQ-QMMMGPOBSA-N 1 0 208.265 0.575 10 0 BCAERO COC(=O)CCC[NH2+][C@H]1CCC(=O)N[C@@H]1C ZINC000336758000 386623530 /nfs/dbraw/zinc/62/35/30/386623530.db2.gz HZHWALZYCKRUJS-BDAKNGLRSA-N 1 0 228.292 0.196 10 0 BCAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)NCc1ccc[nH]c1=O ZINC000638724765 386635937 /nfs/dbraw/zinc/63/59/37/386635937.db2.gz AZHAFIACJTZYFW-MWLCHTKSSA-N 1 0 249.314 0.778 10 0 BCAERO [NH3+]C[C@H]1CCC[C@@H]1C(=O)NCc1ccc[nH]c1=O ZINC000638724764 386636714 /nfs/dbraw/zinc/63/67/14/386636714.db2.gz AZHAFIACJTZYFW-KOLCDFICSA-N 1 0 249.314 0.778 10 0 BCAERO C[C@H](O)C1CCN(C(=O)[C@@H]2[NH2+]CC2(C)C)CC1 ZINC000648055243 386644224 /nfs/dbraw/zinc/64/42/24/386644224.db2.gz WPJPOXAAQUZHNH-ONGXEEELSA-N 1 0 240.347 0.604 10 0 BCAERO C[C@H]1CN(C(=O)c2cn3ccccc3n2)C[C@@H]1[NH3+] ZINC000335513187 386650632 /nfs/dbraw/zinc/65/06/32/386650632.db2.gz WOYQBXFVHVINNA-UWVGGRQHSA-N 1 0 244.298 0.754 10 0 BCAERO COCC[NH2+]CCNc1ccnc(N(C)C)n1 ZINC000215526055 386606063 /nfs/dbraw/zinc/60/60/63/386606063.db2.gz MAONRFVUSBSLKK-UHFFFAOYSA-N 1 0 239.323 0.191 10 0 BCAERO O=C(N[C@H]1c2ccccc2C[C@@H]1O)[C@@H]1CC[NH2+]C1 ZINC000520403032 386668001 /nfs/dbraw/zinc/66/80/01/386668001.db2.gz DDNDZBQSJVTGKO-WXHSDQCUSA-N 1 0 246.310 0.370 10 0 BCAERO C[NH+](C)[C@@H]1CCN(C(=O)c2cn[nH]c2)C1 ZINC000062983763 386682432 /nfs/dbraw/zinc/68/24/32/386682432.db2.gz SWAYETJXRUSXIH-SECBINFHSA-N 1 0 208.265 0.186 10 0 BCAERO C[C@@H]([NH2+][C@@H](CO)c1ccccc1)C(N)=O ZINC000063002770 386676554 /nfs/dbraw/zinc/67/65/54/386676554.db2.gz YIPLAAVQXVKLTE-SCZZXKLOSA-N 1 0 208.261 0.183 10 0 BCAERO C[C@@H]([NH2+][C@H](CO)c1ccccc1)C(N)=O ZINC000063002772 386676830 /nfs/dbraw/zinc/67/68/30/386676830.db2.gz YIPLAAVQXVKLTE-PSASIEDQSA-N 1 0 208.261 0.183 10 0 BCAERO CC(C)n1nnnc1CN1CC[C@@](C)(C[NH3+])C1 ZINC000647954469 386682669 /nfs/dbraw/zinc/68/26/69/386682669.db2.gz PIIPCHSBXHZYDH-NSHDSACASA-N 1 0 238.339 0.425 10 0 BCAERO [NH3+]C1CN(Cc2csc(Cl)n2)C1 ZINC000306922988 386711469 /nfs/dbraw/zinc/71/14/69/386711469.db2.gz XXARYVYXGPGRIF-UHFFFAOYSA-N 1 0 203.698 0.939 10 0 BCAERO C[NH+](C)[C@H]1CCN(C(=O)c2cn[nH]c2)C1 ZINC000062983764 386683782 /nfs/dbraw/zinc/68/37/82/386683782.db2.gz SWAYETJXRUSXIH-VIFPVBQESA-N 1 0 208.265 0.186 10 0 BCAERO C[NH2+][C@@H]1CCN([C@@H]2CCS[C@H]2C)C1=O ZINC000307525432 386704679 /nfs/dbraw/zinc/70/46/79/386704679.db2.gz FYLWWJDEFVWXOF-DJLDLDEBSA-N 1 0 214.334 0.701 10 0 BCAERO c1nc2c([nH]1)C[C@@H]([NH2+][C@@H]1CCOC1)CC2 ZINC000336760521 386734307 /nfs/dbraw/zinc/73/43/07/386734307.db2.gz MFIMBEAIKUMTCA-DTWKUNHWSA-N 1 0 207.277 0.646 10 0 BCAERO C[C@]1([C@@H]2OC[C@H](C[NH3+])O2)CCCS1 ZINC000306705617 386740704 /nfs/dbraw/zinc/74/07/04/386740704.db2.gz KYNDHRRZGCKTMC-DJLDLDEBSA-N 1 0 203.307 0.972 10 0 BCAERO CS[C@H](C)CNC(=O)C1(C[NH3+])CCOCC1 ZINC000122405108 386752570 /nfs/dbraw/zinc/75/25/70/386752570.db2.gz LQTNXFQWOAMZOV-SECBINFHSA-N 1 0 246.376 0.610 10 0 BCAERO CC1(C)C[NH2+][C@H]1C(=O)NCC[C@H]1CCCO1 ZINC000645333874 386743265 /nfs/dbraw/zinc/74/32/65/386743265.db2.gz KSMBVRTWHRWBJR-ZJUUUORDSA-N 1 0 226.320 0.670 10 0 BCAERO N[C@H](C[NH3+])c1cccc2c1OC(F)(F)O2 ZINC000044470332 386779794 /nfs/dbraw/zinc/77/97/94/386779794.db2.gz PYGJRCCYNQXECJ-ZCFIWIBFSA-N 1 0 216.187 0.967 10 0 BCAERO CCOCCC(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000085727181 134515652 /nfs/dbraw/zinc/51/56/52/134515652.db2.gz JACKBDCKYIWILD-UWVGGRQHSA-N 1 0 214.309 0.670 10 0 BCAERO [NH3+][C@H]1CCO[C@H]1CN1CCSCC1 ZINC000575450358 386786509 /nfs/dbraw/zinc/78/65/09/386786509.db2.gz LFWIJAATZBPZBA-IUCAKERBSA-N 1 0 202.323 0.151 10 0 BCAERO CO[C@H]1C[C@H]([NH2+][C@@H]2COC[C@H]2O)C12CCC2 ZINC000308349444 386820554 /nfs/dbraw/zinc/82/05/54/386820554.db2.gz SUUUADGUTABHIO-ZNSHCXBVSA-N 1 0 227.304 0.293 10 0 BCAERO CO[C@H]1C[C@H](CO)N(Cc2ncc(C)o2)C1 ZINC000344908460 386799393 /nfs/dbraw/zinc/79/93/93/386799393.db2.gz PRVKZTPKGZXEFH-ZJUUUORDSA-N 1 0 226.276 0.565 10 0 BCAERO C[C@@H]1CN(C(=O)[C@H]2[NH2+]CC2(C)C)C[C@@H](C)O1 ZINC000645157821 386800994 /nfs/dbraw/zinc/80/09/94/386800994.db2.gz VGOXNLAILZAQJA-OPRDCNLKSA-N 1 0 226.320 0.620 10 0 BCAERO C[C@@H]1CN(C(=O)[C@@H]2[NH2+]CC2(C)C)C[C@@H](C)O1 ZINC000645157819 386801412 /nfs/dbraw/zinc/80/14/12/386801412.db2.gz VGOXNLAILZAQJA-BBBLOLIVSA-N 1 0 226.320 0.620 10 0 BCAERO O[C@]1(Cn2cc(Cl)cn2)CC[NH2+]C1 ZINC000575452153 386810115 /nfs/dbraw/zinc/81/01/15/386810115.db2.gz QXMDYFWSLRUBQE-MRVPVSSYSA-N 1 0 201.657 0.261 10 0 BCAERO O[C@@H](C1=CCCO1)[C@H]1C[NH2+]CCS1 ZINC000575453417 386811911 /nfs/dbraw/zinc/81/19/11/386811911.db2.gz GRUVPQGSIJBZFP-BDAKNGLRSA-N 1 0 201.291 0.357 10 0 BCAERO c1cn([C@@H]2CC[N@@H+](CC3CCOCC3)C2)nn1 ZINC000585379570 386853317 /nfs/dbraw/zinc/85/33/17/386853317.db2.gz MHTXDJNUZJIAEP-GFCCVEGCSA-N 1 0 236.319 0.952 10 0 BCAERO [NH3+][C@H]1C[C@@H](C(=O)N[C@H]2CCC[C@@H](O)C2)C1 ZINC000647980211 386871962 /nfs/dbraw/zinc/87/19/62/386871962.db2.gz MELOCFHBQVASIY-QCLAVDOMSA-N 1 0 212.293 0.143 10 0 BCAERO CC[N@H+](CCO)CCNc1ncc(C)c(C)n1 ZINC000302225593 386916953 /nfs/dbraw/zinc/91/69/53/386916953.db2.gz RNFURZXJLUBTGE-UHFFFAOYSA-N 1 0 238.335 0.820 10 0 BCAERO COc1cc(C)nc(N2CC[NH2+]C[C@@H]2C)n1 ZINC000166473444 386932839 /nfs/dbraw/zinc/93/28/39/386932839.db2.gz RDPKIOGOKHDVQS-VIFPVBQESA-N 1 0 222.292 0.592 10 0 BCAERO CCOC[C@H](C)[NH2+][C@@H]1CCC(=O)N[C@H]1C ZINC000336762895 386944456 /nfs/dbraw/zinc/94/44/56/386944456.db2.gz OGSYDLIABAVSDP-LPEHRKFASA-N 1 0 214.309 0.668 10 0 BCAERO C[NH+](C)CC(=O)N[C@H]1CCCC[C@H]1CO ZINC000157199749 386962691 /nfs/dbraw/zinc/96/26/91/386962691.db2.gz KVSPXCANLWSSDI-UWVGGRQHSA-N 1 0 214.309 0.215 10 0 BCAERO CCCNC(=O)C[N@@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000398715234 386964129 /nfs/dbraw/zinc/96/41/29/386964129.db2.gz QDHNODSCSLFNQB-SRVKXCTJSA-N 1 0 240.347 0.605 10 0 BCAERO C[NH+](C)C[C@@H]1CN(C(=O)C2CCCC2)CCO1 ZINC000116792372 386975906 /nfs/dbraw/zinc/97/59/06/386975906.db2.gz MTVIOXYVPRJNHX-GFCCVEGCSA-N 1 0 240.347 0.966 10 0 BCAERO C[C@H](NC(=O)[C@H]1CCC[NH2+]C1)C1CCOCC1 ZINC000161931475 387008011 /nfs/dbraw/zinc/00/80/11/387008011.db2.gz NOGBVSQQSHJANW-JQWIXIFHSA-N 1 0 240.347 0.917 10 0 BCAERO Cn1cc(C[N@@H+]2C[C@@H]3CC[C@H](O)C[C@H]3C2)nn1 ZINC000398770981 386988244 /nfs/dbraw/zinc/98/82/44/386988244.db2.gz HBDUPXXYTBCTML-NHCYSSNCSA-N 1 0 236.319 0.408 10 0 BCAERO O=S1(=O)CCC[C@H]1C[C@H]1C=CC[NH2+]1 ZINC000575460380 387037507 /nfs/dbraw/zinc/03/75/07/387037507.db2.gz JPAFXRMFRJEHMK-BDAKNGLRSA-N 1 0 201.291 0.482 10 0 BCAERO C[C@H]1CC[NH2+][C@@H]1C(=O)NC1CSC1 ZINC000575578274 387043407 /nfs/dbraw/zinc/04/34/07/387043407.db2.gz HKINTZNCOBYRGW-XPUUQOCRSA-N 1 0 200.307 0.216 10 0 BCAERO C[C@H]1C[NH2+]C[C@@H]1C(=O)NC1CSC1 ZINC000575579464 387047970 /nfs/dbraw/zinc/04/79/70/387047970.db2.gz LBSTUNCDSJVVEZ-XPUUQOCRSA-N 1 0 200.307 0.074 10 0 BCAERO COC[C@H]([NH2+][C@@H]1CCC(=O)N[C@@H]1C)C(C)C ZINC000336764237 387051713 /nfs/dbraw/zinc/05/17/13/387051713.db2.gz NBNUTFZALUQMIX-MXWKQRLJSA-N 1 0 228.336 0.914 10 0 BCAERO C[S@](=O)N1C[C@@]2(C)C[NH2+]C[C@]2(C)C1 ZINC000575584215 387062957 /nfs/dbraw/zinc/06/29/57/387062957.db2.gz OORSUPJOWUJFEL-KKFJDGPESA-N 1 0 202.323 0.211 10 0 BCAERO CC[C@H]1CN(C(C)=O)CC[N@@H+]1CCOC ZINC000117302719 387016030 /nfs/dbraw/zinc/01/60/30/387016030.db2.gz RQCRYANXCKAIGJ-NSHDSACASA-N 1 0 214.309 0.576 10 0 BCAERO C[NH2+][C@@H]1CCCN(S(=O)(=O)C(C)C)C1 ZINC000053202877 387022087 /nfs/dbraw/zinc/02/20/87/387022087.db2.gz NSAVKNVRUDFGPZ-SECBINFHSA-N 1 0 220.338 0.408 10 0 BCAERO CS[C@@H]1CC[C@H]1[NH2+]C[C@@H]1CN(C)CCO1 ZINC000425366103 387023960 /nfs/dbraw/zinc/02/39/60/387023960.db2.gz ZIOVYKGZPKYVDR-GMTAPVOTSA-N 1 0 230.377 0.801 10 0 BCAERO CS[C@@H]1CC[C@H]1[NH2+]C[C@H]1CN(C)CCO1 ZINC000425366104 387025306 /nfs/dbraw/zinc/02/53/06/387025306.db2.gz ZIOVYKGZPKYVDR-HBNTYKKESA-N 1 0 230.377 0.801 10 0 BCAERO O=S1(=O)CCC[C@@H]1/C=C1/CC[NH2+]C1 ZINC000575456050 387027943 /nfs/dbraw/zinc/02/79/43/387027943.db2.gz XGHKJQQBLRNQAL-JGAIRUGNSA-N 1 0 201.291 0.483 10 0 BCAERO F[C@H]1C[NH2+]CC[C@H]1N1CCSCC1 ZINC000575455902 387027989 /nfs/dbraw/zinc/02/79/89/387027989.db2.gz HQPAVRMXFPKSQW-DTWKUNHWSA-N 1 0 204.314 0.735 10 0 BCAERO COC(=O)CCCNC(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000070577549 387069458 /nfs/dbraw/zinc/06/94/58/387069458.db2.gz WJOVZNYXHHEWDI-VHSXEESVSA-N 1 0 242.319 0.573 10 0 BCAERO COC(=O)C(C)(C)NC(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000070575232 387070749 /nfs/dbraw/zinc/07/07/49/387070749.db2.gz IYGJXPICDMBKJA-DTWKUNHWSA-N 1 0 242.319 0.572 10 0 BCAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]Cc1ccno1 ZINC000389592036 387070831 /nfs/dbraw/zinc/07/08/31/387070831.db2.gz MNHJUFVATJCWLU-CBAPKCEASA-N 1 0 209.249 0.431 10 0 BCAERO CCO[C@H]1C[C@H]([NH2+]CCCO)C12CCOCC2 ZINC000186199793 387076202 /nfs/dbraw/zinc/07/62/02/387076202.db2.gz YMERISKSGMUYOO-RYUDHWBXSA-N 1 0 243.347 0.933 10 0 BCAERO NC(=[NH2+])SC1CCS(=O)(=O)CC1 ZINC000575469144 387088658 /nfs/dbraw/zinc/08/86/58/387088658.db2.gz WBJAEIWKOBOXED-UHFFFAOYSA-N 1 0 208.308 0.190 10 0 BCAERO C[C@]1(C(=O)NCc2c[nH]cn2)CCCC[NH2+]1 ZINC000127532190 387107765 /nfs/dbraw/zinc/10/77/65/387107765.db2.gz AUHJASQLOMGWKO-LLVKDONJSA-N 1 0 222.292 0.558 10 0 BCAERO [NH3+][C@H]1CCC[C@H](C(=O)NCc2cc[nH]n2)C1 ZINC000070502921 387120981 /nfs/dbraw/zinc/12/09/81/387120981.db2.gz PODYEXMJDCNFBD-IUCAKERBSA-N 1 0 222.292 0.543 10 0 BCAERO Cn1ncc(NC2C[NH2+]C2)c1Br ZINC000575479889 387167341 /nfs/dbraw/zinc/16/73/41/387167341.db2.gz QUZYWHLFZZETBD-UHFFFAOYSA-N 1 0 231.097 0.566 10 0 BCAERO CC(C)N(C(C)C)[C@H]1C[NH2+]CC[C@@H]1O ZINC000536955259 387167467 /nfs/dbraw/zinc/16/74/67/387167467.db2.gz QELPDULJNUJFSN-QWRGUYRKSA-N 1 0 200.326 0.828 10 0 BCAERO CCn1cc([C@H]2[NH2+]C[C@@]23CCOC3)cn1 ZINC000536957671 387171151 /nfs/dbraw/zinc/17/11/51/387171151.db2.gz CVIVEVZPEPSLBR-GHMZBOCLSA-N 1 0 207.277 0.954 10 0 BCAERO CCn1cc([C@@H]2[NH2+]C[C@@]23CCOC3)cn1 ZINC000536957679 387171742 /nfs/dbraw/zinc/17/17/42/387171742.db2.gz CVIVEVZPEPSLBR-WDEREUQCSA-N 1 0 207.277 0.954 10 0 BCAERO CNC(=[NH2+])NCc1c(Br)cnn1C ZINC000575483094 387187089 /nfs/dbraw/zinc/18/70/89/387187089.db2.gz NVMJWONKVJCUOU-UHFFFAOYSA-N 1 0 246.112 0.426 10 0 BCAERO CO[C@@H]1C[C@@H](CO)[N@H+](CCc2ccnn2C)C1 ZINC000284463160 387189193 /nfs/dbraw/zinc/18/91/93/387189193.db2.gz ARBXJBGEOQNLDE-NWDGAFQWSA-N 1 0 239.319 0.044 10 0 BCAERO OCCCC[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000062982033 387189778 /nfs/dbraw/zinc/18/97/78/387189778.db2.gz KQEQOYXWUQIPHB-LBPRGKRZSA-N 1 0 228.336 0.165 10 0 BCAERO C[C@@H](O)CC[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000062982429 387190299 /nfs/dbraw/zinc/19/02/99/387190299.db2.gz IRIYUXQHEPPZCZ-NEPJUHHUSA-N 1 0 228.336 0.164 10 0 BCAERO CO[C@@H]1C[C@@H](CO)[N@H+](Cc2ccco2)C1 ZINC000284491257 387204396 /nfs/dbraw/zinc/20/43/96/387204396.db2.gz GIULJDPVDKUVBT-GXSJLCMTSA-N 1 0 211.261 0.861 10 0 BCAERO CO[C@@H]1C[C@@H](CO)[N@H+](CCc2cccnc2)C1 ZINC000284698819 387212896 /nfs/dbraw/zinc/21/28/96/387212896.db2.gz TTXMJLARDQURNA-QWHCGFSZSA-N 1 0 236.315 0.706 10 0 BCAERO COC(=O)C1=C[C@H](O)C[N@H+](Cc2ccccc2)C1 ZINC000096910935 387233175 /nfs/dbraw/zinc/23/31/75/387233175.db2.gz OXDTUIMTHYQYDV-ZDUSSCGKSA-N 1 0 247.294 0.963 10 0 BCAERO C[C@H]([NH2+][C@@H]1CCC(=O)N[C@@H]1C)c1nccn1C ZINC000393066775 387311256 /nfs/dbraw/zinc/31/12/56/387311256.db2.gz YACSCAWKKBXBLE-KXUCPTDWSA-N 1 0 236.319 0.738 10 0 BCAERO C[C@H]([NH2+]C[C@H]1CN(C)CCO1)c1ccnn1C ZINC000192252171 387316003 /nfs/dbraw/zinc/31/60/03/387316003.db2.gz GQWCKBOIKGTNQQ-QWRGUYRKSA-N 1 0 238.335 0.401 10 0 BCAERO Cc1cncc(C[N@@H+]2CCC[C@@](O)(C(N)=O)C2)c1 ZINC000286164472 387316961 /nfs/dbraw/zinc/31/69/61/387316961.db2.gz MALWOYYTUQUXDD-ZDUSSCGKSA-N 1 0 249.314 0.202 10 0 BCAERO C[C@H]1CC[NH2+]C[C@H]1CN=S(C)(C)=O ZINC000575489149 387259442 /nfs/dbraw/zinc/25/94/42/387259442.db2.gz ZYLPSDSNVMVNCN-IUCAKERBSA-N 1 0 204.339 0.960 10 0 BCAERO Cc1cnn(C)c1C[NH2+][C@@H]1CCC(=O)N[C@H]1C ZINC000286160550 387317341 /nfs/dbraw/zinc/31/73/41/387317341.db2.gz WHEQHGBILIMYPE-VHSXEESVSA-N 1 0 236.319 0.485 10 0 BCAERO CC(C)(C)[C@H]([NH3+])[C@H]1CCCS1(=O)=O ZINC000575493703 387267443 /nfs/dbraw/zinc/26/74/43/387267443.db2.gz TULIMRNZGRLEFU-HTQZYQBOSA-N 1 0 205.323 0.937 10 0 BCAERO [NH3+]C1CC(=C[C@@H]2CCCS2(=O)=O)C1 ZINC000575496037 387317512 /nfs/dbraw/zinc/31/75/12/387317512.db2.gz IDVHIALGQKEQFZ-GKAPJAKFSA-N 1 0 201.291 0.611 10 0 BCAERO CC12CC(CN=S(C)(C)=O)(C1)[NH2+]C2 ZINC000575493016 387271171 /nfs/dbraw/zinc/27/11/71/387271171.db2.gz LDGKJQCZZXGCLM-UHFFFAOYSA-N 1 0 202.323 0.856 10 0 BCAERO CC(C)OC[C@H](O)C[NH2+][C@@H]1CCC(=O)N[C@H]1C ZINC000392925781 387301747 /nfs/dbraw/zinc/30/17/47/387301747.db2.gz MENUZGHJFRJARJ-HBNTYKKESA-N 1 0 244.335 0.029 10 0 BCAERO CC(C)CNC(=O)C[NH2+][C@@H]1CCC(=O)N[C@H]1C ZINC000393027992 387309134 /nfs/dbraw/zinc/30/91/34/387309134.db2.gz VBUDKKVBUHWJRX-VHSXEESVSA-N 1 0 241.335 0.015 10 0 BCAERO CCCCNC(=O)C[NH2+][C@@H]1CCC(=O)N[C@@H]1C ZINC000393028634 387309456 /nfs/dbraw/zinc/30/94/56/387309456.db2.gz VITBWBGJMZVOMZ-NXEZZACHSA-N 1 0 241.335 0.159 10 0 BCAERO C[C@H]([NH3+])[C@@](C)(O)c1cnc(Cl)n1C ZINC000575507916 387367829 /nfs/dbraw/zinc/36/78/29/387367829.db2.gz NVMPAHNLTMCCGV-YLWLKBPMSA-N 1 0 203.673 0.628 10 0 BCAERO CS(=O)(=O)C[C@H]1CCC2(CC2)C[NH2+]1 ZINC000575505195 387372971 /nfs/dbraw/zinc/37/29/71/387372971.db2.gz VKOPGSFDIGOOBE-MRVPVSSYSA-N 1 0 203.307 0.563 10 0 BCAERO Cc1cnn(C)c1C[NH2+][C@H]1CCO[C@@H]1C ZINC000286245673 387319689 /nfs/dbraw/zinc/31/96/89/387319689.db2.gz ZSVKXJZBEPOEQY-ZJUUUORDSA-N 1 0 209.293 0.996 10 0 BCAERO Cc1cnn(CC[N@@H+]2CC[C@H](CCO)C2)c1 ZINC000303143123 387324595 /nfs/dbraw/zinc/32/45/95/387324595.db2.gz PIQSZEKGBYTNRO-GFCCVEGCSA-N 1 0 223.320 0.896 10 0 BCAERO [NH3+]CC1(N2C(=O)c3ccccc3C2=O)COC1 ZINC000575594660 387325501 /nfs/dbraw/zinc/32/55/01/387325501.db2.gz LDETUYDHAJZTTI-UHFFFAOYSA-N 1 0 232.239 0.010 10 0 BCAERO CCC[C@@H]1CN(C(=O)[C@@H](C)[NH2+]C)CCO1 ZINC000515071389 387331051 /nfs/dbraw/zinc/33/10/51/387331051.db2.gz FYTCTPJPJHDXLI-NXEZZACHSA-N 1 0 214.309 0.622 10 0 BCAERO [NH2+]=C(C[C@@H]1CCCCS1(=O)=O)NO ZINC000575496268 387333027 /nfs/dbraw/zinc/33/30/27/387333027.db2.gz LFKLHORNVLTJGS-LURJTMIESA-N 1 0 206.267 0.300 10 0 BCAERO C[C@@H]1C[N@@H+](CC(N)=S)CC[C@H](C)O1 ZINC000575498889 387344791 /nfs/dbraw/zinc/34/47/91/387344791.db2.gz ANJYQZNAROWINH-JGVFFNPUSA-N 1 0 202.323 0.772 10 0 BCAERO [NH3+]C[C@H]1CO[C@]2(CCCSCC2)O1 ZINC000575516975 387426543 /nfs/dbraw/zinc/42/65/43/387426543.db2.gz BSDGGLZFFNMMJA-DTWKUNHWSA-N 1 0 203.307 0.974 10 0 BCAERO C[C@@H]([NH3+])C(=O)N[C@H]1CCCSCC1 ZINC000575517225 387428869 /nfs/dbraw/zinc/42/88/69/387428869.db2.gz CQKCIKRADOFDQU-SFYZADRCSA-N 1 0 202.323 0.736 10 0 BCAERO CC[N@H+](C[C@@H](O)CN1CCCC1=O)C1CC1 ZINC000304025321 387430148 /nfs/dbraw/zinc/43/01/48/387430148.db2.gz DWBWDAKGNOSTFS-LLVKDONJSA-N 1 0 226.320 0.454 10 0 BCAERO CCn1c(C)nnc1CN1CC[C@@H]([NH3+])C[C@H]1C ZINC000515863092 387430634 /nfs/dbraw/zinc/43/06/34/387430634.db2.gz GSUJMYHRDMTQJY-MWLCHTKSSA-N 1 0 237.351 0.918 10 0 BCAERO C[C@@H]1CS[C@](C)([C@@H]2C[NH2+]CCO2)N1 ZINC000575517893 387434708 /nfs/dbraw/zinc/43/47/08/387434708.db2.gz NXEIBGMJBPATLK-HRDYMLBCSA-N 1 0 202.323 0.416 10 0 BCAERO [NH3+][C@]1(C/C=C/Cl)CCS(=O)(=O)C1 ZINC000575523673 387457302 /nfs/dbraw/zinc/45/73/02/387457302.db2.gz MRZANKNQHKWLRU-QBWWRVGNSA-N 1 0 209.698 0.645 10 0 BCAERO CCN(CC(=O)OC)C(=O)[C@H]1CCC[NH2+][C@@H]1C ZINC000423750247 387409669 /nfs/dbraw/zinc/40/96/69/387409669.db2.gz XHNZAFITTDTYLE-ZJUUUORDSA-N 1 0 242.319 0.396 10 0 BCAERO C[N@H+](CCN1CCOCC1)[C@H]1CCC[C@@H]1O ZINC000352657570 387422493 /nfs/dbraw/zinc/42/24/93/387422493.db2.gz GQWZNMAOSRLEFB-RYUDHWBXSA-N 1 0 228.336 0.164 10 0 BCAERO CO[C@H]1C[NH2+][C@@H](C(=O)NCc2cccs2)C1 ZINC000040631487 387499314 /nfs/dbraw/zinc/49/93/14/387499314.db2.gz BQNNWXURINFXDF-PSASIEDQSA-N 1 0 240.328 0.741 10 0 BCAERO Cc1nnc2sc(C3CC[NH2+]CC3)nn12 ZINC000032014502 387518051 /nfs/dbraw/zinc/51/80/51/387518051.db2.gz OURJZPDUYBVQMG-UHFFFAOYSA-N 1 0 223.305 0.961 10 0 BCAERO [NH2+]=C(NCc1ccccc1)N[C@H]1CCNC1=O ZINC000575526533 387532939 /nfs/dbraw/zinc/53/29/39/387532939.db2.gz VAZFOOHXISABDJ-JTQLQIEISA-N 1 0 232.287 0.189 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N[C@H](C)C(C)(C)C ZINC000162783981 387540798 /nfs/dbraw/zinc/54/07/98/387540798.db2.gz GSESGKFKVNLLPX-HTQZYQBOSA-N 1 0 202.298 0.511 10 0 BCAERO O=C(Nc1cncnc1)[C@H]1C[C@H](F)C[NH2+]1 ZINC000516180113 387469028 /nfs/dbraw/zinc/46/90/28/387469028.db2.gz YWZQITGERFOSHT-POYBYMJQSA-N 1 0 210.212 0.115 10 0 BCAERO COC(=O)CCCN1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000234516286 134579460 /nfs/dbraw/zinc/57/94/60/134579460.db2.gz HWMHSIKBXHHSDJ-BDAKNGLRSA-N 1 0 200.282 0.219 10 0 BCAERO COC1(C[N@@H+]2CCO[C@H](CO)C2)CCCC1 ZINC000361551094 387485943 /nfs/dbraw/zinc/48/59/43/387485943.db2.gz IEQKFKIVORSZFZ-NSHDSACASA-N 1 0 229.320 0.639 10 0 BCAERO C[NH+](C)CC(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000193553716 387488600 /nfs/dbraw/zinc/48/86/00/387488600.db2.gz JWMTUJQBNBGZHW-WDEREUQCSA-N 1 0 226.320 0.718 10 0 BCAERO COCC[C@H](C)[NH2+]C[C@H](C)N1CCOCC1 ZINC000123508477 387584651 /nfs/dbraw/zinc/58/46/51/387584651.db2.gz HCOPHNRASIYCEE-RYUDHWBXSA-N 1 0 230.352 0.722 10 0 BCAERO COC[C@@H]([NH2+]C[C@H](C)N1CCOCC1)C1CC1 ZINC000123570235 387587272 /nfs/dbraw/zinc/58/72/72/387587272.db2.gz PBQWNJAZEKOASC-WCQYABFASA-N 1 0 242.363 0.722 10 0 BCAERO [NH3+][C@@H]1CN(Cc2ccc(Cl)o2)C1=O ZINC000575531297 387546748 /nfs/dbraw/zinc/54/67/48/387546748.db2.gz PEKMCAJAHFQDOZ-ZCFIWIBFSA-N 1 0 200.625 0.603 10 0 BCAERO CC[C@H](COC)[NH2+][C@@H]1CCc2ncnn2C1 ZINC000118972303 387552918 /nfs/dbraw/zinc/55/29/18/387552918.db2.gz AMHYFHQBGYTGJX-NXEZZACHSA-N 1 0 224.308 0.608 10 0 BCAERO CC[C@H](C)[C@]1([NH3+])CCS(=O)(=O)[C@@H]1C ZINC000575548210 387644447 /nfs/dbraw/zinc/64/44/47/387644447.db2.gz CFFXKOSKXFJXQR-DJLDLDEBSA-N 1 0 205.323 0.937 10 0 BCAERO C[C@@H](C[NH2+][C@@H](C)[C@@H]1CCOC1)N1CCOCC1 ZINC000123279641 387672277 /nfs/dbraw/zinc/67/22/77/387672277.db2.gz NUKVPYTUNAWXTR-RWMBFGLXSA-N 1 0 242.363 0.722 10 0 BCAERO COC(=O)C1(C(=O)N2CC[C@H]([NH+](C)C)C2)CC1 ZINC000127271510 387708438 /nfs/dbraw/zinc/70/84/38/387708438.db2.gz UUIUTFFYAHIGTF-VIFPVBQESA-N 1 0 240.303 0.102 10 0 BCAERO Cc1cnc(C[NH2+][C@@H]2CCC(=O)N[C@H]2C)cn1 ZINC000440943452 387713004 /nfs/dbraw/zinc/71/30/04/387713004.db2.gz QSYKGMRSAYXWQS-GXSJLCMTSA-N 1 0 234.303 0.542 10 0 BCAERO Cc1cnc(C[NH2+][C@@H]2CCC(=O)N[C@@H]2C)cn1 ZINC000440943454 387714099 /nfs/dbraw/zinc/71/40/99/387714099.db2.gz QSYKGMRSAYXWQS-MWLCHTKSSA-N 1 0 234.303 0.542 10 0 BCAERO FC(F)(F)Cc1cc(N2CC[NH2+]CC2)ncn1 ZINC000575622046 387806579 /nfs/dbraw/zinc/80/65/79/387806579.db2.gz DDJFPZKRVYULFJ-UHFFFAOYSA-N 1 0 246.236 0.991 10 0 BCAERO Cc1ccnc(NCCCN2CC[NH2+]CC2)n1 ZINC000061859596 387848179 /nfs/dbraw/zinc/84/81/79/387848179.db2.gz HLDSYQRGSXPGFM-UHFFFAOYSA-N 1 0 235.335 0.492 10 0 BCAERO CNC(=O)c1cccc(NC(=O)[C@H]2CC[NH2+]C2)c1 ZINC000062116235 387849831 /nfs/dbraw/zinc/84/98/31/387849831.db2.gz HRNKHGXVXZIDMC-JTQLQIEISA-N 1 0 247.298 0.594 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)NC[C@@H](O)CCC ZINC000157623652 387858677 /nfs/dbraw/zinc/85/86/77/387858677.db2.gz RSTHJIVMHIBBNA-DTWKUNHWSA-N 1 0 202.298 0.391 10 0 BCAERO COCC(C)(C)NC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000158042849 387887924 /nfs/dbraw/zinc/88/79/24/387887924.db2.gz BDBNGJYKZHKKAX-DTWKUNHWSA-N 1 0 214.309 0.655 10 0 BCAERO CCC[C@H](C)C(=O)NC[C@H]1CN(C)CCO1 ZINC000194631068 387888863 /nfs/dbraw/zinc/88/88/63/387888863.db2.gz CXJHMEGRHUWQJY-QWRGUYRKSA-N 1 0 228.336 0.869 10 0 BCAERO CC[NH+](CC)CC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000195335870 387919000 /nfs/dbraw/zinc/91/90/00/387919000.db2.gz GLMQEZRRNKJWHX-LBPRGKRZSA-N 1 0 239.363 0.635 10 0 BCAERO C[C@H]([NH2+]C[C@@H]1CN(C)CCO1)[C@H]1C[C@H]1C ZINC000321044803 387936236 /nfs/dbraw/zinc/93/62/36/387936236.db2.gz FVEHEPRYPARTAS-KXNHARMFSA-N 1 0 212.337 0.951 10 0 BCAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1CCOCCO ZINC000245423675 387946229 /nfs/dbraw/zinc/94/62/29/387946229.db2.gz JPTNAFRDUFIVQA-STQMWFEESA-N 1 0 242.363 0.554 10 0 BCAERO COC[C@H](O)CN1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000245543830 387957958 /nfs/dbraw/zinc/95/79/58/387957958.db2.gz RHUZIIWYMYRGHA-GRYCIOLGSA-N 1 0 228.336 0.162 10 0 BCAERO CC[C@](C)(C[NH2+]C[C@@H]1CN(C)CCO1)OC ZINC000322685453 387968129 /nfs/dbraw/zinc/96/81/29/387968129.db2.gz JGQDRSZSYVJEKG-VXGBXAGGSA-N 1 0 230.352 0.722 10 0 BCAERO CC[N@H+](CC(=O)N1C[C@@H](F)C[C@H]1CO)C1CC1 ZINC000347422642 387969770 /nfs/dbraw/zinc/96/97/70/387969770.db2.gz YVZARUPPPLJLBW-ONGXEEELSA-N 1 0 244.310 0.402 10 0 BCAERO O=C1NCC[C@@H]1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000245706972 387975801 /nfs/dbraw/zinc/97/58/01/387975801.db2.gz XYBZQXVYZCFESU-MNOVXSKESA-N 1 0 223.320 0.045 10 0 BCAERO O=C1NCC[C@H]1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000245706970 387976052 /nfs/dbraw/zinc/97/60/52/387976052.db2.gz XYBZQXVYZCFESU-GHMZBOCLSA-N 1 0 223.320 0.045 10 0 BCAERO CCOC(=O)CCCNC(=O)[C@@H]1C[NH2+]C[C@@H]1C ZINC000081524622 388009015 /nfs/dbraw/zinc/00/90/15/388009015.db2.gz JQNBMAYYDUPFFE-VHSXEESVSA-N 1 0 242.319 0.301 10 0 BCAERO C[C@H](CN1CCOCC1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000246215716 388020232 /nfs/dbraw/zinc/02/02/32/388020232.db2.gz ZCJPFRBWTMNZQP-JHJVBQTASA-N 1 0 242.363 0.816 10 0 BCAERO C[NH2+][C@@H](C)C(=O)NC1CCC(O)CC1 ZINC000054071493 388023480 /nfs/dbraw/zinc/02/34/80/388023480.db2.gz FBCBDCOAVLMDQO-UEJVZZJDSA-N 1 0 200.282 0.014 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCSCC1 ZINC000082558996 388036444 /nfs/dbraw/zinc/03/64/44/388036444.db2.gz OVCRFVWUSCKOTL-RKDXNWHRSA-N 1 0 214.334 0.417 10 0 BCAERO CC[C@@H]([NH3+])CNc1ncnc2c1cnn2C ZINC000082579321 388036567 /nfs/dbraw/zinc/03/65/67/388036567.db2.gz VZVPSXILGKPTGR-SSDOTTSWSA-N 1 0 220.280 0.513 10 0 BCAERO C[C@H]1CN(C(=O)[C@H]2CC[NH2+]2)CCS1 ZINC000261527660 135151920 /nfs/dbraw/zinc/15/19/20/135151920.db2.gz FJTGBVRSOGLCBH-JGVFFNPUSA-N 1 0 200.307 0.312 10 0 BCAERO CSC[C@@H](C)C(=O)NC[C@@H]1CC[NH2+]C1 ZINC000261527472 135151935 /nfs/dbraw/zinc/15/19/35/135151935.db2.gz BNDZIQPLVJDQIS-RKDXNWHRSA-N 1 0 216.350 0.711 10 0 BCAERO CCOCC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000083550477 388055599 /nfs/dbraw/zinc/05/55/99/388055599.db2.gz OCKXCRDTPWZCCZ-QWRGUYRKSA-N 1 0 226.320 0.718 10 0 BCAERO COCC(=O)N1C[C@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000083703905 388059360 /nfs/dbraw/zinc/05/93/60/388059360.db2.gz NZLSKZYCNKRPLU-WDEREUQCSA-N 1 0 226.320 0.718 10 0 BCAERO [NH3+][C@@H]1CC[C@@H](C(=O)N2CCSCC2)C1 ZINC000085009601 388082995 /nfs/dbraw/zinc/08/29/95/388082995.db2.gz XKPPECRRLCYGKD-RKDXNWHRSA-N 1 0 214.334 0.689 10 0 BCAERO Cc1cc(NC(=O)[C@H]2CC[C@@H]([NH3+])C2)n(C)n1 ZINC000085009303 388083076 /nfs/dbraw/zinc/08/30/76/388083076.db2.gz NOUHFDFBHKJRRV-DTWKUNHWSA-N 1 0 222.292 0.794 10 0 BCAERO CN(C)c1nccc(NC[C@@H]2CCC[NH2+]C2)n1 ZINC000085432096 388088646 /nfs/dbraw/zinc/08/86/46/388088646.db2.gz UMUPFLMAUICRSK-SNVBAGLBSA-N 1 0 235.335 0.954 10 0 BCAERO COc1cc(N2C[C@H](C)[NH2+]C[C@@H]2C)ncn1 ZINC000085481421 388089779 /nfs/dbraw/zinc/08/97/79/388089779.db2.gz WUTSIOUTUJZNET-IUCAKERBSA-N 1 0 222.292 0.672 10 0 BCAERO C[C@H]([NH2+]C[C@@H]1CN(C)CCO1)[C@H]1CCCO1 ZINC000086005315 388099427 /nfs/dbraw/zinc/09/94/27/388099427.db2.gz HIMJLAYQQBTKCQ-QJPTWQEYSA-N 1 0 228.336 0.474 10 0 BCAERO CCCCOC[C@@H](O)C[N@H+](C)CCC(=O)NC ZINC000195175098 388110104 /nfs/dbraw/zinc/11/01/04/388110104.db2.gz ULONCYBSRDPGCS-NSHDSACASA-N 1 0 246.351 0.232 10 0 BCAERO CC[C@@H]1CN(C(=O)[C@@H]2C[NH2+]C[C@H]2C)C[C@@H](C)O1 ZINC000449248532 388163018 /nfs/dbraw/zinc/16/30/18/388163018.db2.gz JLCGSRCRRQFLNO-DDHJBXDOSA-N 1 0 240.347 0.868 10 0 BCAERO O=C(C1C[NH2+]C1)N(CC(F)F)C1CC1 ZINC000261528294 135153625 /nfs/dbraw/zinc/15/36/25/135153625.db2.gz MGCGXQOYNNDRDO-UHFFFAOYSA-N 1 0 204.220 0.462 10 0 BCAERO CCCSCC(=O)NC[C@@H]1CC[NH2+]C1 ZINC000261528295 135153639 /nfs/dbraw/zinc/15/36/39/135153639.db2.gz MGDUDAJNWRBAPC-SECBINFHSA-N 1 0 216.350 0.855 10 0 BCAERO CC1(C)CN(C(=O)[C@H]2C[C@H](F)C[NH2+]2)CCCO1 ZINC000646022614 388126175 /nfs/dbraw/zinc/12/61/75/388126175.db2.gz WMSZOBJFWOVETQ-VHSXEESVSA-N 1 0 244.310 0.714 10 0 BCAERO C[C@H]1CN(c2ncc(Cl)cn2)C[C@H]1[NH3+] ZINC000261528562 135154262 /nfs/dbraw/zinc/15/42/62/135154262.db2.gz LYOKIAUQXHUXCK-POYBYMJQSA-N 1 0 212.684 0.913 10 0 BCAERO CC[C@](C)([NH3+])C(=O)N[C@H]1CCO[C@H]1C ZINC000251224584 388265916 /nfs/dbraw/zinc/26/59/16/388265916.db2.gz GMJAPRNJUCQGPA-NRPADANISA-N 1 0 200.282 0.407 10 0 BCAERO C[NH2+][C@H](C)CNC(=O)[C@H]1[C@@H](C)[C@@H](C)O[C@H]1C ZINC000300040918 388346561 /nfs/dbraw/zinc/34/65/61/388346561.db2.gz KAEBXSJLJRKAKU-XXFSISAASA-N 1 0 228.336 0.770 10 0 BCAERO C[NH2+][C@H](C)CNC(=O)[C@@H]1[C@H](C)O[C@H](C)[C@H]1C ZINC000300040911 388346701 /nfs/dbraw/zinc/34/67/01/388346701.db2.gz KAEBXSJLJRKAKU-APLZJWDSSA-N 1 0 228.336 0.770 10 0 BCAERO O=C(N[C@@H]1CCC[C@H](O)C1)[C@H]1C[C@H](F)C[NH2+]1 ZINC000646417431 388354239 /nfs/dbraw/zinc/35/42/39/388354239.db2.gz KPVDQRGSOQLEHD-QCLAVDOMSA-N 1 0 230.283 0.106 10 0 BCAERO C[NH2+][C@H](C)C(=O)NC1Cc2ccccc2C1 ZINC000234427976 388355199 /nfs/dbraw/zinc/35/51/99/388355199.db2.gz BCLWWOKHWHRVKL-SECBINFHSA-N 1 0 218.300 0.878 10 0 BCAERO CC1(C)C[NH2+][C@@H]1C(=O)NC[C@@H]1CCC[C@@H]1O ZINC000646428442 388356908 /nfs/dbraw/zinc/35/69/08/388356908.db2.gz NBDNENFVCFHSCG-LPEHRKFASA-N 1 0 226.320 0.262 10 0 BCAERO COC[C@@H](C)CNC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000234697013 388358280 /nfs/dbraw/zinc/35/82/80/388358280.db2.gz PIHWEQYHYBHPEH-IVZWLZJFSA-N 1 0 214.309 0.241 10 0 BCAERO Brc1cnnn1CC1C[NH2+]C1 ZINC000575524786 388358931 /nfs/dbraw/zinc/35/89/31/388358931.db2.gz VJWFPRPDRFHJPY-UHFFFAOYSA-N 1 0 217.070 0.260 10 0 BCAERO CO[C@H]1CCN(C(=O)[C@@H]2CC[C@@H]([NH3+])C2)C1 ZINC000234800445 388361435 /nfs/dbraw/zinc/36/14/35/388361435.db2.gz HQWOZWRTZWPMRC-BBBLOLIVSA-N 1 0 212.293 0.361 10 0 BCAERO CC(C)[C@@H]([NH3+])CC(=O)N[C@@H]1CCCN(C)C1=O ZINC000646458757 388361864 /nfs/dbraw/zinc/36/18/64/388361864.db2.gz NBTZOVYTQCJLQF-VHSXEESVSA-N 1 0 241.335 0.097 10 0 BCAERO Cc1cn[nH]c1C[NH2+][C@H]1CCC(=O)N[C@H]1C ZINC000290020599 388365761 /nfs/dbraw/zinc/36/57/61/388365761.db2.gz ZLOMPSVAQSSJBG-IUCAKERBSA-N 1 0 222.292 0.475 10 0 BCAERO Cc1nc(S[C@@H](C)CO)cc(NN)[nH+]1 ZINC000162958210 388367126 /nfs/dbraw/zinc/36/71/26/388367126.db2.gz ZYNNCCMKYQXHEA-YFKPBYRVSA-N 1 0 214.294 0.544 10 0 BCAERO Cc1cnc(CN2CC[C@@H]3OCC[NH2+][C@H]3C2)o1 ZINC000572847530 388380692 /nfs/dbraw/zinc/38/06/92/388380692.db2.gz FKTDQSKUVOVLCX-QWRGUYRKSA-N 1 0 237.303 0.546 10 0 BCAERO CS[C@H](C)C(=O)N1CCC[C@H]1C[NH3+] ZINC000237415957 388394694 /nfs/dbraw/zinc/39/46/94/388394694.db2.gz ROTNIKYSRZQSJV-SFYZADRCSA-N 1 0 202.323 0.688 10 0 BCAERO COc1cc(N2C[C@@H](C)[C@](C)(C[NH3+])C2)ncn1 ZINC000310339876 388480892 /nfs/dbraw/zinc/48/08/92/388480892.db2.gz COJFZSNNCIEMRL-BXKDBHETSA-N 1 0 236.319 0.906 10 0 BCAERO C[C@H]1C[NH+](CCCC(=O)NC(N)=O)C[C@H](C)O1 ZINC000194985496 388458384 /nfs/dbraw/zinc/45/83/84/388458384.db2.gz CBENCFGJIZKPRB-IUCAKERBSA-N 1 0 243.307 0.071 10 0 BCAERO CCC[C@@H](C)NC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000378668249 388481114 /nfs/dbraw/zinc/48/11/14/388481114.db2.gz BSZLYNLYHDRCSP-HRDYMLBCSA-N 1 0 202.273 0.991 10 0 BCAERO CCOC[C@H]([NH2+]C[C@@H]1CNC(=O)O1)C(C)C ZINC000309619191 388459113 /nfs/dbraw/zinc/45/91/13/388459113.db2.gz DTGLPCXTHVCNFG-ZJUUUORDSA-N 1 0 230.308 0.746 10 0 BCAERO C[C@@H]1CC[C@@H]([NH3+])[C@@H](SCC(N)=O)C1 ZINC000300868191 388459792 /nfs/dbraw/zinc/45/97/92/388459792.db2.gz WRWKHUIAXCMBTF-PRJMDXOYSA-N 1 0 202.323 0.721 10 0 BCAERO [NH3+]C[C@@H]1CCCN1CCOCC(F)F ZINC000261537646 135175118 /nfs/dbraw/zinc/17/51/18/135175118.db2.gz VYWMQKLSHQZYHR-QMMMGPOBSA-N 1 0 208.252 0.691 10 0 BCAERO O=C(N[C@@H]1CCCOC1)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000378670233 388481576 /nfs/dbraw/zinc/48/15/76/388481576.db2.gz JLKCPBRWSXJBTO-KYXWUPHJSA-N 1 0 210.277 0.032 10 0 BCAERO CC[C@H](C)CNC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000087047176 256757250 /nfs/dbraw/zinc/75/72/50/256757250.db2.gz URZBPLHHBGZGEU-AEJSXWLSSA-N 1 0 214.309 0.655 10 0 BCAERO OC[C@@H]1C[N@H+](C[C@@H]2Cc3ccccc32)C[C@@H]1O ZINC000316371053 388410841 /nfs/dbraw/zinc/41/08/41/388410841.db2.gz LNIKJBAAQFXRKG-OBJOEFQTSA-N 1 0 233.311 0.611 10 0 BCAERO CCN1CCO[C@H](C[NH2+][C@H]2CCOC2(C)C)C1 ZINC000328374069 388413965 /nfs/dbraw/zinc/41/39/65/388413965.db2.gz JSMZNDKFMGKRBR-NEPJUHHUSA-N 1 0 242.363 0.864 10 0 BCAERO CC(C)(O)C[N@@H+]1CCC[C@H](CC(N)=O)C1 ZINC000175229681 388428046 /nfs/dbraw/zinc/42/80/46/388428046.db2.gz YYQVLESMDDNNIX-SECBINFHSA-N 1 0 214.309 0.345 10 0 BCAERO COC(=O)C1=C(O)CCN(CCC[NH+](C)C)C1 ZINC000041286722 388434422 /nfs/dbraw/zinc/43/44/22/388434422.db2.gz VRPCRECXXADOIY-JTQLQIEISA-N 1 0 242.319 0.002 10 0 BCAERO Cc1noc(-c2ccc(N3CC[C@H]([NH3+])C3)nn2)n1 ZINC000070458427 388437458 /nfs/dbraw/zinc/43/74/58/388437458.db2.gz GEBNEDSJPWPMGY-QMMMGPOBSA-N 1 0 246.274 0.372 10 0 BCAERO Cc1ncccc1NC(=O)[C@H]1C[NH2+]CCOC1 ZINC000649287881 388546627 /nfs/dbraw/zinc/54/66/27/388546627.db2.gz IWNDHOJXTZSVFR-JTQLQIEISA-N 1 0 235.287 0.565 10 0 BCAERO Cc1c(C[NH2+]CCc2cnccn2)cnn1C ZINC000341255059 388494854 /nfs/dbraw/zinc/49/48/54/388494854.db2.gz GMTSLQQJKUDQNL-UHFFFAOYSA-N 1 0 231.303 0.851 10 0 BCAERO Cc1cnn(CC[NH2+][C@H]2CCC(=O)N[C@@H]2C)c1 ZINC000342135533 388496800 /nfs/dbraw/zinc/49/68/00/388496800.db2.gz QWVONXMHTFRDBB-MNOVXSKESA-N 1 0 236.319 0.448 10 0 BCAERO C[C@H](NC(=O)[C@@H]1C[NH2+]CCOC1)c1ccccn1 ZINC000649277530 388500502 /nfs/dbraw/zinc/50/05/02/388500502.db2.gz BZKDWCYIBMWUQL-WDEREUQCSA-N 1 0 249.314 0.495 10 0 BCAERO CO[C@@H]1C[C@H](CO)[N@H+](Cc2cccnc2C)C1 ZINC000343947782 388503502 /nfs/dbraw/zinc/50/35/02/388503502.db2.gz FCXWYFOWLRSHCK-CHWSQXEVSA-N 1 0 236.315 0.972 10 0 BCAERO CO[C@@H]1C[C@@H](CO)[N@H+](CCC[C@@H](C)O)C1 ZINC000344711581 388508983 /nfs/dbraw/zinc/50/89/83/388508983.db2.gz LQCCQRRQDWKBDK-OUAUKWLOSA-N 1 0 217.309 0.229 10 0 BCAERO CO[C@@H]1C[C@H](CO)[N@H+](C[C@H]2CC[C@H](C)O2)C1 ZINC000344711625 388509483 /nfs/dbraw/zinc/50/94/83/388509483.db2.gz MDSKITCWAFDMNJ-IRCOFANPSA-N 1 0 229.320 0.636 10 0 BCAERO CC1(C)CC(C[N@@H+]2C[C@H](O)C[C@@H]2CO)C1 ZINC000528431928 388525078 /nfs/dbraw/zinc/52/50/78/388525078.db2.gz XQKFMVDYBSNTFT-GHMZBOCLSA-N 1 0 213.321 0.850 10 0 BCAERO CC(C)S(=O)(=O)CCC[NH2+][C@@H]1CCO[C@@H]1C ZINC000348117669 388525543 /nfs/dbraw/zinc/52/55/43/388525543.db2.gz MXMXZWKYLGZBRA-GHMZBOCLSA-N 1 0 249.376 0.967 10 0 BCAERO Cc1cc(CNC(=O)[C@H]2C[C@H](F)C[NH2+]2)no1 ZINC000517026630 388533458 /nfs/dbraw/zinc/53/34/58/388533458.db2.gz FPSMAUVHCHWSDB-IONNQARKSA-N 1 0 227.239 0.299 10 0 BCAERO O=C1N=C(N2CC[NH2+]CC2)O[C@H]1c1ccccc1 ZINC000082309576 388587151 /nfs/dbraw/zinc/58/71/51/388587151.db2.gz WGFJRZLHROIKGD-NSHDSACASA-N 1 0 245.282 0.546 10 0 BCAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1nncn1C ZINC000245615468 388593574 /nfs/dbraw/zinc/59/35/74/388593574.db2.gz MLEHTSREFRHFHO-RYUDHWBXSA-N 1 0 249.362 0.874 10 0 BCAERO CN(CC[N@H+](C)CC(C)(C)O)C1CC1 ZINC000186750446 388603434 /nfs/dbraw/zinc/60/34/34/388603434.db2.gz YILXCNYDFJAKFJ-UHFFFAOYSA-N 1 0 200.326 0.783 10 0 BCAERO CCN(CC(=O)OC)C[C@H]1CCC[NH2+]C1 ZINC000220370233 388603585 /nfs/dbraw/zinc/60/35/85/388603585.db2.gz WKOQJFNTIJWQDO-JTQLQIEISA-N 1 0 214.309 0.481 10 0 BCAERO CC(C)N1CC[C@H]([NH2+][C@@H]2CCO[C@@H]2C)C1=O ZINC000222074831 388609975 /nfs/dbraw/zinc/60/99/75/388609975.db2.gz IZNGCTLJHPPUAS-MXWKQRLJSA-N 1 0 226.320 0.763 10 0 BCAERO C[C@H]([NH2+]C[C@H]1CN(C)CCO1)[C@H]1CCCOC1 ZINC000356885432 388551046 /nfs/dbraw/zinc/55/10/46/388551046.db2.gz XIHQPFZCJLQRDN-AVGNSLFASA-N 1 0 242.363 0.722 10 0 BCAERO CCOC[C@H]1C[N@H+](CC2(O)CCC2)CCO1 ZINC000528722705 388562329 /nfs/dbraw/zinc/56/23/29/388562329.db2.gz OEHQWLGBEIHVMF-LLVKDONJSA-N 1 0 229.320 0.639 10 0 BCAERO [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CCn1cncn1 ZINC000362975981 388562783 /nfs/dbraw/zinc/56/27/83/388562783.db2.gz IGJKCYPZKLHJLN-QWRGUYRKSA-N 1 0 223.324 0.385 10 0 BCAERO [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CCn1cncn1 ZINC000362975980 388563090 /nfs/dbraw/zinc/56/30/90/388563090.db2.gz IGJKCYPZKLHJLN-MNOVXSKESA-N 1 0 223.324 0.385 10 0 BCAERO CC(C)(C)CC[N@@H+]1CCC[C@](O)(C(N)=O)C1 ZINC000367493387 388565645 /nfs/dbraw/zinc/56/56/45/388565645.db2.gz QMVRAQPPHWTTPW-GFCCVEGCSA-N 1 0 228.336 0.735 10 0 BCAERO CC(C)(O)C[N@@H+]1CC[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000528776441 388571352 /nfs/dbraw/zinc/57/13/52/388571352.db2.gz FXLLBWDLHZZBBV-ZJUUUORDSA-N 1 0 247.360 0.409 10 0 BCAERO CCCCNC(=O)C[N@@H+]1CCC[C@H](O)[C@@H]1C ZINC000385060703 388573882 /nfs/dbraw/zinc/57/38/82/388573882.db2.gz USHLSPAWVGECGZ-QWRGUYRKSA-N 1 0 228.336 0.748 10 0 BCAERO COC(=O)[C@]1(C(C)(C)O)CCC[NH2+]C1 ZINC000221270109 388584284 /nfs/dbraw/zinc/58/42/84/388584284.db2.gz CHTMLELOPMRNIH-JTQLQIEISA-N 1 0 201.266 0.300 10 0 BCAERO Cn1cnnc1CN1CC[N@@H+]2CCCC[C@H]2C1 ZINC000248368112 388676198 /nfs/dbraw/zinc/67/61/98/388676198.db2.gz UVCFMKUFFXYDJI-NSHDSACASA-N 1 0 235.335 0.485 10 0 BCAERO [NH3+]C[C@@H]1CCCN(C(=O)c2cnccn2)C1 ZINC000044528333 388683019 /nfs/dbraw/zinc/68/30/19/388683019.db2.gz HNPBDCZZRWYLNU-VIFPVBQESA-N 1 0 220.276 0.288 10 0 BCAERO CCOC(=O)c1ncn2c1C[NH2+]CCC2 ZINC000238284492 388623086 /nfs/dbraw/zinc/62/30/86/388623086.db2.gz TYHDOXQTZXLAKX-UHFFFAOYSA-N 1 0 209.249 0.553 10 0 BCAERO CS(=O)(=O)CCNC1=[NH+]CCCS1 ZINC000037750912 388631148 /nfs/dbraw/zinc/63/11/48/388631148.db2.gz PQLKCRLVWIZSQD-UHFFFAOYSA-N 1 0 222.335 0.114 10 0 BCAERO O=C(c1ccccn1)N1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC000403973107 388631217 /nfs/dbraw/zinc/63/12/17/388631217.db2.gz CGILMCBJZTYNHV-RYUDHWBXSA-N 1 0 247.298 0.285 10 0 BCAERO COC[C@@H](NC(=O)[C@@H]1CC[NH2+]C1)C(C)C ZINC000083399140 388639037 /nfs/dbraw/zinc/63/90/37/388639037.db2.gz MIDLDUNNEBHINN-NXEZZACHSA-N 1 0 214.309 0.383 10 0 BCAERO c1cnc(-c2noc([C@H]3CCC[NH2+]C3)n2)cn1 ZINC000037370090 388642451 /nfs/dbraw/zinc/64/24/51/388642451.db2.gz ZBTRUQVYUCLSCS-QMMMGPOBSA-N 1 0 231.259 0.994 10 0 BCAERO CC[N@@H+]1CCC[C@H](NC(=O)N[C@H]2CCOC2)C1 ZINC000246602822 388645238 /nfs/dbraw/zinc/64/52/38/388645238.db2.gz HJKFBXJNAVOTQA-QWRGUYRKSA-N 1 0 241.335 0.559 10 0 BCAERO O=S1(=O)CCC[C@H]1C[C@@H]1CCC[NH2+]1 ZINC000575450721 388736397 /nfs/dbraw/zinc/73/63/97/388736397.db2.gz RAVQZQWKLGEGNB-IUCAKERBSA-N 1 0 203.307 0.706 10 0 BCAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)O)C1 ZINC000248656956 388688040 /nfs/dbraw/zinc/68/80/40/388688040.db2.gz FDVJPLIEWWQZJD-NXEZZACHSA-N 1 0 228.336 0.602 10 0 BCAERO CC[C@@H]1CN(C[C@@H](C)O)CC[N@@H+]1C[C@H](C)O ZINC000248641689 388688126 /nfs/dbraw/zinc/68/81/26/388688126.db2.gz CQCLNKBFEREZFI-GRYCIOLGSA-N 1 0 230.352 0.144 10 0 BCAERO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C[C@@H]3CCCO3)C[C@@H]12 ZINC000248699169 388689899 /nfs/dbraw/zinc/68/98/99/388689899.db2.gz ZHUFQEMDPKSTJI-WRWGMCAJSA-N 1 0 238.331 0.751 10 0 BCAERO C[C@H]([NH3+])CCC(=O)N1[C@@H](C)COC[C@@H]1C ZINC000248854859 388696385 /nfs/dbraw/zinc/69/63/85/388696385.db2.gz KRTBNRSTRQMYND-GUBZILKMSA-N 1 0 214.309 0.750 10 0 BCAERO Cc1ccc(C[NH2+]C[C@H]2CN(C)CCO2)nc1 ZINC000127025799 388712435 /nfs/dbraw/zinc/71/24/35/388712435.db2.gz XWHUEXJLBCGUSP-ZDUSSCGKSA-N 1 0 235.331 0.810 10 0 BCAERO C[C@H](O)C[N@@H+]1CCN(Cc2cocn2)C[C@H]1C ZINC000249260616 388713768 /nfs/dbraw/zinc/71/37/68/388713768.db2.gz ISDAOCYUZNVQRN-MNOVXSKESA-N 1 0 239.319 0.562 10 0 BCAERO CC(C)[C@@H](C)NC(=O)C[NH2+][C@@H]1CCO[C@@H]1C ZINC000226438129 388719466 /nfs/dbraw/zinc/71/94/66/388719466.db2.gz ZNRMYBVFDJJADN-GMTAPVOTSA-N 1 0 228.336 0.914 10 0 BCAERO CCCCOC[C@H](O)C[NH2+][C@H](C)CO ZINC000227888861 388761324 /nfs/dbraw/zinc/76/13/24/388761324.db2.gz CWLNOQLGCHMJKS-NXEZZACHSA-N 1 0 205.298 0.134 10 0 BCAERO CC[C@@](C)(O)C[NH2+][C@@H](C)c1nncn1C ZINC000229318146 388785725 /nfs/dbraw/zinc/78/57/25/388785725.db2.gz RNOFWLWKNBCGGF-WCBMZHEXSA-N 1 0 212.297 0.627 10 0 BCAERO CC[C@@](C)(O)C[NH2+][C@H](C)c1nncn1C ZINC000229318174 388786443 /nfs/dbraw/zinc/78/64/43/388786443.db2.gz RNOFWLWKNBCGGF-PSASIEDQSA-N 1 0 212.297 0.627 10 0 BCAERO CC[C@](C)(O)C[NH2+][C@@H](C)c1nncn1C ZINC000229318162 388786499 /nfs/dbraw/zinc/78/64/99/388786499.db2.gz RNOFWLWKNBCGGF-WPRPVWTQSA-N 1 0 212.297 0.627 10 0 BCAERO C[C@]1(O)CCC[N@H+](C[C@@H]2CNC(=O)O2)CC1 ZINC000230380029 388825277 /nfs/dbraw/zinc/82/52/77/388825277.db2.gz IGHMNUGUBMHGGH-ONGXEEELSA-N 1 0 228.292 0.332 10 0 BCAERO CO[C@@H]1C[C@@H](CO)N(c2cc[nH+]c(C)c2)C1 ZINC000284650621 388830557 /nfs/dbraw/zinc/83/05/57/388830557.db2.gz WTDPPWRTMYDISL-NWDGAFQWSA-N 1 0 222.288 0.976 10 0 BCAERO Brc1cnnn1C[C@H]1C[NH2+]CCO1 ZINC000575463767 388830979 /nfs/dbraw/zinc/83/09/79/388830979.db2.gz AZVVPUQGXJTRMI-ZCFIWIBFSA-N 1 0 247.096 0.029 10 0 BCAERO COc1cc([C@@H]2COC[C@@H]2[NH3+])sn1 ZINC000575468308 388840461 /nfs/dbraw/zinc/84/04/61/388840461.db2.gz QXSPRMSWEGMHHA-RITPCOANSA-N 1 0 200.263 0.593 10 0 BCAERO CC(C)[S@](=O)N1CCC(C)([NH3+])CC1 ZINC000575468658 388841962 /nfs/dbraw/zinc/84/19/62/388841962.db2.gz FAVZDJIVSOSGAO-ZDUSSCGKSA-N 1 0 204.339 0.872 10 0 BCAERO O[C@@H](c1ccns1)[C@H]1C[NH2+]CCO1 ZINC000575469378 388842811 /nfs/dbraw/zinc/84/28/11/388842811.db2.gz OGEMGVSZBCOPID-HTRCEHHLSA-N 1 0 200.263 0.165 10 0 BCAERO O=S1(=O)CCC[C@@]2(CC[NH2+]C2)CC1 ZINC000575486522 388872285 /nfs/dbraw/zinc/87/22/85/388872285.db2.gz HZSWOJOPNBASPZ-SECBINFHSA-N 1 0 203.307 0.565 10 0 BCAERO O=C([C@H]1C[C@H](F)C[NH2+]1)N1CC[C@@H]2OCC[C@@H]2C1 ZINC000565305650 388935998 /nfs/dbraw/zinc/93/59/98/388935998.db2.gz JJDWHXLGFRWCSJ-YTWAJWBKSA-N 1 0 242.294 0.324 10 0 BCAERO [NH3+]C1CC(C(=O)N[C@@H]2CCSC2)C1 ZINC000575491048 388915853 /nfs/dbraw/zinc/91/58/53/388915853.db2.gz BAKUIBQMWPMRKA-KAVNDROISA-N 1 0 200.307 0.345 10 0 BCAERO CCCOCC(=O)N1CC[C@H]2OCC[NH2+][C@@H]2C1 ZINC000404035425 388941767 /nfs/dbraw/zinc/94/17/67/388941767.db2.gz YKOBAEMBBQMCOG-GHMZBOCLSA-N 1 0 242.319 0.002 10 0 BCAERO CCc1nnc(CN2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)n1C ZINC000565540267 388952210 /nfs/dbraw/zinc/95/22/10/388952210.db2.gz OBIXCKZOHKUVRS-HBNTYKKESA-N 1 0 249.362 0.547 10 0 BCAERO CCOc1nccnc1N1CC[C@H]([NH2+]C)C1 ZINC000566058756 388985913 /nfs/dbraw/zinc/98/59/13/388985913.db2.gz MLMDHNRDTMGGQD-VIFPVBQESA-N 1 0 222.292 0.673 10 0 BCAERO C[C@@H]([NH3+])[C@@H](O)c1cc(Br)nn1C ZINC000575500967 388990259 /nfs/dbraw/zinc/99/02/59/388990259.db2.gz WKAKMWPVHUNVGW-CLZZGJSISA-N 1 0 234.097 0.563 10 0 BCAERO CC[N@H+](CCO)CCNc1cncc(Cl)n1 ZINC000274459215 389046388 /nfs/dbraw/zinc/04/63/88/389046388.db2.gz XDYMPKZXGXWAAV-UHFFFAOYSA-N 1 0 244.726 0.856 10 0 BCAERO CC(C)(C[NH3+])N1CCN(c2ncccn2)CC1 ZINC000019502299 132325632 /nfs/dbraw/zinc/32/56/32/132325632.db2.gz RGJAJAGQZUAEQT-UHFFFAOYSA-N 1 0 235.335 0.336 10 0 BCAERO C[C@H]1COCCN1c1ccnc(C[NH3+])c1 ZINC000051396852 132360489 /nfs/dbraw/zinc/36/04/89/132360489.db2.gz GTXHDVHCASQBQR-VIFPVBQESA-N 1 0 207.277 0.765 10 0 BCAERO C([C@H]1COCCO1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000252692860 533376261 /nfs/dbraw/zinc/37/62/61/533376261.db2.gz CYTDTCOGAUVTNP-STQMWFEESA-N 1 0 240.347 0.572 10 0 BCAERO CC(C)c1cc(N2CCO[C@H](C[NH3+])C2)ncn1 ZINC000041162043 132224099 /nfs/dbraw/zinc/22/40/99/132224099.db2.gz MTPZCZBSSZWXPC-SNVBAGLBSA-N 1 0 236.319 0.764 10 0 BCAERO Cc1ccnc(N2CCO[C@H](C[NH3+])C2)c1 ZINC000043561308 132225015 /nfs/dbraw/zinc/22/50/15/132225015.db2.gz UUCYYLDNDDFUTR-SNVBAGLBSA-N 1 0 207.277 0.554 10 0 BCAERO COc1cc(N2CC[NH2+]C(C)(C)C2)ncn1 ZINC000133201627 132237940 /nfs/dbraw/zinc/23/79/40/132237940.db2.gz SNUUDJMIMJIFBK-UHFFFAOYSA-N 1 0 222.292 0.673 10 0 BCAERO CCc1nnc(N2CCC[C@H]([NH3+])C2)nc1CC ZINC000097836374 132242680 /nfs/dbraw/zinc/24/26/80/132242680.db2.gz WDUCOFCBQFOVEX-VIFPVBQESA-N 1 0 235.335 0.924 10 0 BCAERO Cc1cc(C)c(C[NH3+])c(N2CCNC(=O)C2)n1 ZINC000040509303 132296040 /nfs/dbraw/zinc/29/60/40/132296040.db2.gz XNMWVTRAQFWXCV-UHFFFAOYSA-N 1 0 234.303 0.093 10 0 BCAERO CCc1nc(N2CCC([NH3+])CC2)[nH]c(=O)c1C ZINC000057329957 132301260 /nfs/dbraw/zinc/30/12/60/132301260.db2.gz ZLGJDQBLTAZANR-UHFFFAOYSA-N 1 0 236.319 0.568 10 0 BCAERO Cc1nc(N)c2c(cccc2N2CC[NH2+]CC2)n1 ZINC000019408009 132324709 /nfs/dbraw/zinc/32/47/09/132324709.db2.gz KOORIJVFWYOLJW-UHFFFAOYSA-N 1 0 243.314 0.930 10 0 BCAERO NC(=[NH2+])CN1CCN(c2ccccn2)CC1 ZINC000019485631 132325462 /nfs/dbraw/zinc/32/54/62/132325462.db2.gz VYXUNCBJAHEANP-UHFFFAOYSA-N 1 0 219.292 0.140 10 0 BCAERO NC(=[NH2+])c1ccc(N2CCC(O)CC2)nc1 ZINC000019481206 132325531 /nfs/dbraw/zinc/32/55/31/132325531.db2.gz OYSNIBDEELKGOA-UHFFFAOYSA-N 1 0 220.276 0.327 10 0 BCAERO [NH3+]CCOc1cccc(N2CCOCC2)c1 ZINC000019726715 132326241 /nfs/dbraw/zinc/32/62/41/132326241.db2.gz XCOGBKVCTJNBLS-UHFFFAOYSA-N 1 0 222.288 0.861 10 0 BCAERO NC(=O)C1CCN(c2cc[nH+]cc2N)CC1 ZINC000019755470 132326306 /nfs/dbraw/zinc/32/63/06/132326306.db2.gz XRVRFVRUSVUUJP-UHFFFAOYSA-N 1 0 220.276 0.366 10 0 BCAERO C[C@@H]([NH3+])c1ccccc1N1CCNC(=O)C1 ZINC000019872638 132328389 /nfs/dbraw/zinc/32/83/89/132328389.db2.gz GHTSKLJADOKQHO-SECBINFHSA-N 1 0 219.288 0.643 10 0 BCAERO C[NH2+]CCN1CCN(c2ccccn2)CC1 ZINC000020072945 132329335 /nfs/dbraw/zinc/32/93/35/132329335.db2.gz QDWLGBXKNCORCO-UHFFFAOYSA-N 1 0 220.320 0.423 10 0 BCAERO [NH3+]C[C@@H](O)CN1C(=O)CCc2ccccc21 ZINC000022220854 132332590 /nfs/dbraw/zinc/33/25/90/132332590.db2.gz UYPJMTQPOBVJCN-SNVBAGLBSA-N 1 0 220.272 0.285 10 0 BCAERO CN1CCN(c2ccccc2)[C@@H](C2=[NH+]CCN2)C1 ZINC000029392092 132334285 /nfs/dbraw/zinc/33/42/85/132334285.db2.gz VVASLRLWCLWNCC-CYBMUJFWSA-N 1 0 244.342 0.809 10 0 BCAERO NC(=[NH2+])c1cccnc1N1CCC(CO)CC1 ZINC000034959115 132337404 /nfs/dbraw/zinc/33/74/04/132337404.db2.gz UPQPPJZKBHYZSN-UHFFFAOYSA-N 1 0 234.303 0.574 10 0 BCAERO C[NH+]1CCN(c2ccc(N)c3nonc32)CC1 ZINC000035675203 132339045 /nfs/dbraw/zinc/33/90/45/132339045.db2.gz DUUIUPKBODIYCX-UHFFFAOYSA-N 1 0 233.275 0.557 10 0 BCAERO Cc1ccc2c(c1)C(=O)N[C@@H]1C[NH2+]CCN21 ZINC000035803648 132339679 /nfs/dbraw/zinc/33/96/79/132339679.db2.gz SSFYXMCWGRBLJK-NSHDSACASA-N 1 0 217.272 0.474 10 0 BCAERO CNC(=O)C1CCN(c2cc[nH+]cc2N)CC1 ZINC000036132241 132340094 /nfs/dbraw/zinc/34/00/94/132340094.db2.gz LWBVMOMQLSHZFZ-UHFFFAOYSA-N 1 0 234.303 0.626 10 0 BCAERO [NH3+]Cc1ccccc1N1CCS(=O)(=O)CC1 ZINC000036948310 132342962 /nfs/dbraw/zinc/34/29/62/132342962.db2.gz CQWOKWWMZDBUOD-UHFFFAOYSA-N 1 0 240.328 0.380 10 0 BCAERO C[C@@H]1Oc2ccccc2N(CC[NH3+])C1=O ZINC000036928443 132343026 /nfs/dbraw/zinc/34/30/26/132343026.db2.gz UUTODOBGJBLBKI-QMMMGPOBSA-N 1 0 206.245 0.759 10 0 BCAERO [NH3+]Cc1cc(F)ccc1N1CCNC(=O)C1 ZINC000037236387 132343871 /nfs/dbraw/zinc/34/38/71/132343871.db2.gz XVPVJAMVKNNYSB-UHFFFAOYSA-N 1 0 223.251 0.221 10 0 BCAERO C[C@@H]([NH3+])CCN1CCN(c2ncccn2)CC1 ZINC000037401925 132344128 /nfs/dbraw/zinc/34/41/28/132344128.db2.gz LSIGVYYZYHPKQS-LLVKDONJSA-N 1 0 235.335 0.336 10 0 BCAERO NC(=O)C1CCN(c2cc[nH+]c3c2CCN3)CC1 ZINC000039072993 132346522 /nfs/dbraw/zinc/34/65/22/132346522.db2.gz AGNDRUWEANSLIN-UHFFFAOYSA-N 1 0 246.314 0.751 10 0 BCAERO CCc1nc(N2CCN(C)CC2)cc(NN)[nH+]1 ZINC000039640848 132346960 /nfs/dbraw/zinc/34/69/60/132346960.db2.gz ZKVAILCXQLNFIJ-UHFFFAOYSA-N 1 0 236.323 0.076 10 0 BCAERO Cc1cc(C)c(C[NH3+])c(N2CCOCC2)n1 ZINC000040509278 132348153 /nfs/dbraw/zinc/34/81/53/132348153.db2.gz VXJWFRSUUGGHDO-UHFFFAOYSA-N 1 0 221.304 0.994 10 0 BCAERO C[NH2+]C[C@@H]1CCCN(c2ccncn2)C1 ZINC000040863486 132348858 /nfs/dbraw/zinc/34/88/58/132348858.db2.gz RSOYXFWNJGPCAO-JTQLQIEISA-N 1 0 206.293 0.912 10 0 BCAERO CC[NH+]1CCN(c2ncccc2CO)CC1 ZINC000040864814 132348950 /nfs/dbraw/zinc/34/89/50/132348950.db2.gz XHNJIEUZMUPIDR-UHFFFAOYSA-N 1 0 221.304 0.716 10 0 BCAERO NC(=O)c1ccnc(N2CCC[C@H]([NH3+])C2)c1 ZINC000041030201 132349044 /nfs/dbraw/zinc/34/90/44/132349044.db2.gz GLGNONLPFYQJEZ-VIFPVBQESA-N 1 0 220.276 0.108 10 0 BCAERO [NH3+]Cc1ccc(N2C(=O)COCC2=O)cc1 ZINC000041044256 132349172 /nfs/dbraw/zinc/34/91/72/132349172.db2.gz JYJDXJAUBCAKNW-UHFFFAOYSA-N 1 0 220.228 0.035 10 0 BCAERO C[NH2+]C1CCN(c2ccc(C)nn2)CC1 ZINC000041044947 132349173 /nfs/dbraw/zinc/34/91/73/132349173.db2.gz FSSWLSQQNGUYKA-UHFFFAOYSA-N 1 0 206.293 0.973 10 0 BCAERO Cc1cc(N2CCO[C@H](C[NH3+])C2)nc(C)n1 ZINC000041059046 132349489 /nfs/dbraw/zinc/34/94/89/132349489.db2.gz ALUBNBVWDKVEBA-SNVBAGLBSA-N 1 0 222.292 0.257 10 0 BCAERO NC(=O)[C@H]1CCCCN1c1ncccc1C[NH3+] ZINC000042403558 132351191 /nfs/dbraw/zinc/35/11/91/132351191.db2.gz HHIIOWZFZFKZEC-SNVBAGLBSA-N 1 0 234.303 0.385 10 0 BCAERO [NH3+]Cc1ccnc(N2CCCC[C@@H]2CO)c1 ZINC000042432053 132352001 /nfs/dbraw/zinc/35/20/01/132352001.db2.gz MKKHQCBLXKMAFA-LLVKDONJSA-N 1 0 221.304 0.892 10 0 BCAERO NC(=O)CC1CCN(c2cc[nH+]cc2N)CC1 ZINC000042427870 132352041 /nfs/dbraw/zinc/35/20/41/132352041.db2.gz IXMPDWJCGBDFDP-UHFFFAOYSA-N 1 0 234.303 0.756 10 0 BCAERO [NH3+]CCOc1cccc(N2CCCNC2=O)c1 ZINC000043323260 132352855 /nfs/dbraw/zinc/35/28/55/132352855.db2.gz IIVYRLUVLVXFGN-UHFFFAOYSA-N 1 0 235.287 0.944 10 0 BCAERO C[C@@H](CC(N)=[NH2+])N1CCN(c2ncccn2)CC1 ZINC000048249772 132355278 /nfs/dbraw/zinc/35/52/78/132355278.db2.gz XNSAGBJOJDQVRD-JTQLQIEISA-N 1 0 248.334 0.313 10 0 BCAERO C[NH2+]Cc1ccc(N2CCOC[C@@H]2C)nn1 ZINC000051444142 132360989 /nfs/dbraw/zinc/36/09/89/132360989.db2.gz FLMQZXMZJITKKC-VIFPVBQESA-N 1 0 222.292 0.421 10 0 BCAERO CNC(=[NH2+])N1CCN(c2ccccc2OC)CC1 ZINC000052018472 132361936 /nfs/dbraw/zinc/36/19/36/132361936.db2.gz RKRXFRVGYCJMLP-UHFFFAOYSA-N 1 0 248.330 0.971 10 0 BCAERO C[C@H]1CN(c2ncccc2C(N)=O)C[C@H](C)[NH2+]1 ZINC000053711654 132363344 /nfs/dbraw/zinc/36/33/44/132363344.db2.gz JIXRTYJHOXWUSP-IUCAKERBSA-N 1 0 234.303 0.367 10 0 BCAERO CN(C)c1nccc(N2CCCC[C@H]2C[NH3+])n1 ZINC000068690141 132364788 /nfs/dbraw/zinc/36/47/88/132364788.db2.gz MLHTZGQHXFSEPC-JTQLQIEISA-N 1 0 235.335 0.860 10 0 BCAERO Cc1nccc(N2C[C@H](C)[NH2+][C@@H](C)C2)n1 ZINC000054935543 132365056 /nfs/dbraw/zinc/36/50/56/132365056.db2.gz RNTCQHJSCRLDTK-IUCAKERBSA-N 1 0 206.293 0.972 10 0 BCAERO CC[NH2+]Cc1ccnc(N2CCOCC2)n1 ZINC000054791228 132365136 /nfs/dbraw/zinc/36/51/36/132365136.db2.gz NYNODBRLKINDMV-UHFFFAOYSA-N 1 0 222.292 0.423 10 0 BCAERO CNc1nc(N2CCOCC2)cc(C)[nH+]1 ZINC000058826497 132368604 /nfs/dbraw/zinc/36/86/04/132368604.db2.gz WXEQEXXFUFRZPC-UHFFFAOYSA-N 1 0 208.265 0.663 10 0 BCAERO CNC(=O)C1CCN(c2ccnc(C[NH3+])c2)CC1 ZINC000061811577 132387166 /nfs/dbraw/zinc/38/71/66/132387166.db2.gz COQODQLIWRLXFR-UHFFFAOYSA-N 1 0 248.330 0.503 10 0 BCAERO CC[C@H]1COCCN1c1ccnc(C(N)=[NH2+])c1 ZINC000061814129 132387186 /nfs/dbraw/zinc/38/71/86/132387186.db2.gz TUOQCBZLXFGBMU-VIFPVBQESA-N 1 0 234.303 0.981 10 0 BCAERO C[C@H]([NH3+])[C@@H]1CCCCN1c1ncccc1C(N)=O ZINC000063196904 132389444 /nfs/dbraw/zinc/38/94/44/132389444.db2.gz OCVZNXXNUFOQPJ-ONGXEEELSA-N 1 0 248.330 0.887 10 0 BCAERO C[C@@H]([NH3+])[C@@H]1CCCCN1c1ncccc1C(N)=O ZINC000063196905 132389679 /nfs/dbraw/zinc/38/96/79/132389679.db2.gz OCVZNXXNUFOQPJ-KOLCDFICSA-N 1 0 248.330 0.887 10 0 BCAERO C[C@@H]1CCN(c2nccn3cnnc23)[C@@H](C[NH3+])C1 ZINC000235382404 132395175 /nfs/dbraw/zinc/39/51/75/132395175.db2.gz ZAFBSWWQZVOALI-NXEZZACHSA-N 1 0 246.318 0.688 10 0 BCAERO C[C@@H]1CN(c2ccnc(Cl)n2)CC[NH2+]1 ZINC000095069505 132428403 /nfs/dbraw/zinc/42/84/03/132428403.db2.gz IROVHALMIFMDJN-SSDOTTSWSA-N 1 0 212.684 0.928 10 0 BCAERO C[C@H]([NH3+])[C@H](C)C(=O)N[C@H]1CCO[C@H]1C ZINC000252839602 133651630 /nfs/dbraw/zinc/65/16/30/133651630.db2.gz BBEPDWOXGZMMRG-JBDRJPRFSA-N 1 0 200.282 0.263 10 0 BCAERO CCC(CC)C(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000335496851 133867117 /nfs/dbraw/zinc/86/71/17/133867117.db2.gz QIMCUVJVOPCRAX-WDEREUQCSA-N 1 0 226.320 0.622 10 0 BCAERO Cc1cccc(C(=O)N2CCO[C@@H]3C[NH2+]C[C@@H]32)c1 ZINC000335497746 133867391 /nfs/dbraw/zinc/86/73/91/133867391.db2.gz YKZRSDRYBGHZHG-QWHCGFSZSA-N 1 0 246.310 0.808 10 0 BCAERO C[C@@H]1CN(C(=O)c2cn3ccccc3n2)C[C@H]1[NH3+] ZINC000335513183 133871723 /nfs/dbraw/zinc/87/17/23/133871723.db2.gz WOYQBXFVHVINNA-NXEZZACHSA-N 1 0 244.298 0.754 10 0 BCAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)CNC(=O)C(C)(C)C ZINC000335471281 133878597 /nfs/dbraw/zinc/87/85/97/133878597.db2.gz SDHHSNRMZICAHO-RKDXNWHRSA-N 1 0 241.335 0.097 10 0 BCAERO CSCCCNC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000085013381 134221429 /nfs/dbraw/zinc/22/14/29/134221429.db2.gz WRMISLQCHGZZBE-IUCAKERBSA-N 1 0 216.350 0.983 10 0 BCAERO COC[C@H](C)CNC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000085012514 134221458 /nfs/dbraw/zinc/22/14/58/134221458.db2.gz QBLLIGGHSHTHKN-UTLUCORTSA-N 1 0 214.309 0.513 10 0 BCAERO COc1ccnc(N2CC[C@H]([C@@H](C)[NH3+])C2)n1 ZINC000168579618 134227134 /nfs/dbraw/zinc/22/71/34/134227134.db2.gz ZYBMMJYMVFIJPS-BDAKNGLRSA-N 1 0 222.292 0.659 10 0 BCAERO CCNC(=O)CN(C)[C@H]1CCC[NH2+]CC1 ZINC000168806346 134246890 /nfs/dbraw/zinc/24/68/90/134246890.db2.gz CZWJOTLUPVOIOL-JTQLQIEISA-N 1 0 213.325 0.196 10 0 BCAERO CC(C)NC(=O)CN(C)[C@@H]1CCC[NH2+]CC1 ZINC000168808885 134247077 /nfs/dbraw/zinc/24/70/77/134247077.db2.gz RSPWMRLVUNSRJP-LLVKDONJSA-N 1 0 227.352 0.585 10 0 BCAERO C[NH2+]C[C@H]1CCCN1Cc1cnn(C)c1C ZINC000169227826 134249843 /nfs/dbraw/zinc/24/98/43/134249843.db2.gz RJYSZSKPWYRJTE-GFCCVEGCSA-N 1 0 222.336 0.912 10 0 BCAERO O=C1CCCN1CCN1CC[N@@H+]2CCC[C@H]2C1 ZINC000171638021 134257383 /nfs/dbraw/zinc/25/73/83/134257383.db2.gz UGJQASKNZNPRSU-LBPRGKRZSA-N 1 0 237.347 0.389 10 0 BCAERO O=C1CCCN1CCN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171638016 134257641 /nfs/dbraw/zinc/25/76/41/134257641.db2.gz UGJQASKNZNPRSU-GFCCVEGCSA-N 1 0 237.347 0.389 10 0 BCAERO Cc1ccccc1CC(=O)NC1C[NH2+]C1 ZINC000085255887 134265375 /nfs/dbraw/zinc/26/53/75/134265375.db2.gz GKFZBKDAPOSCTN-UHFFFAOYSA-N 1 0 204.273 0.626 10 0 BCAERO CN(C(=O)c1ccc(Cl)cn1)C1C[NH2+]C1 ZINC000085257618 134269131 /nfs/dbraw/zinc/26/91/31/134269131.db2.gz XZXJTLRKEJNKOU-UHFFFAOYSA-N 1 0 225.679 0.779 10 0 BCAERO CN(c1nc2ccccc2n1C)C1C[NH2+]C1 ZINC000085258474 134272602 /nfs/dbraw/zinc/27/26/02/134272602.db2.gz UJZREIZORIARHY-UHFFFAOYSA-N 1 0 216.288 0.981 10 0 BCAERO CN(c1nccc(C(F)(F)F)n1)C1C[NH2+]C1 ZINC000085258376 134274105 /nfs/dbraw/zinc/27/41/05/134274105.db2.gz LGHDNJRRKWLKBX-UHFFFAOYSA-N 1 0 232.209 0.903 10 0 BCAERO COC[C@H](C)[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000173699536 134276297 /nfs/dbraw/zinc/27/62/97/134276297.db2.gz BHMJKRIAYKXYTR-QWRGUYRKSA-N 1 0 224.308 0.950 10 0 BCAERO CCOCC[N@@H+]1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000177244445 134296878 /nfs/dbraw/zinc/29/68/78/134296878.db2.gz AQDUPVDEUIZEGU-CHWSQXEVSA-N 1 0 242.363 0.675 10 0 BCAERO Cc1nc(C[C@H]2CCC[N@H+](CCO)C2)no1 ZINC000177698819 134301253 /nfs/dbraw/zinc/30/12/53/134301253.db2.gz FUOYRJKTJMOBNQ-SNVBAGLBSA-N 1 0 225.292 0.625 10 0 BCAERO CCN(C)C(=O)CCN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000178200643 134304840 /nfs/dbraw/zinc/30/48/40/134304840.db2.gz YJEDOAIMJNAIPG-GFCCVEGCSA-N 1 0 239.363 0.635 10 0 BCAERO CNC(=O)CCN(C)C(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000178510701 134307572 /nfs/dbraw/zinc/30/75/72/134307572.db2.gz JNHIOAYYWMPRJY-UWVGGRQHSA-N 1 0 241.335 0.098 10 0 BCAERO CCO[C@@H]1C[C@@H]1C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000178789086 134311329 /nfs/dbraw/zinc/31/13/29/134311329.db2.gz WSXABGRBUTYCOR-LPEHRKFASA-N 1 0 212.293 0.280 10 0 BCAERO C[C@@H]([NH3+])CCNC(=O)[C@H]1CSCCS1 ZINC000178693760 134312701 /nfs/dbraw/zinc/31/27/01/134312701.db2.gz ZVHZQZNUIRVBCT-HTQZYQBOSA-N 1 0 234.390 0.689 10 0 BCAERO CCO[C@@H]1C[C@H]1C(=O)N1CC[C@H](C[NH2+]C)C1 ZINC000179025722 134314605 /nfs/dbraw/zinc/31/46/05/134314605.db2.gz JATNNKDDWWFYMM-GMTAPVOTSA-N 1 0 226.320 0.479 10 0 BCAERO CCO[C@@H]1C[C@H]1C(=O)N1CC[NH2+]C[C@H]1C ZINC000179108740 134317447 /nfs/dbraw/zinc/31/74/47/134317447.db2.gz PQVUKFYUAFZFIG-OPRDCNLKSA-N 1 0 212.293 0.232 10 0 BCAERO CCC[C@@H](C(=O)NCCCOCCO)[NH+](C)C ZINC000180388334 134326794 /nfs/dbraw/zinc/32/67/94/134326794.db2.gz CMJBBXZISZJAJI-NSHDSACASA-N 1 0 246.351 0.232 10 0 BCAERO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3ncnn3C2)CCN1C ZINC000180597633 134330166 /nfs/dbraw/zinc/33/01/66/134330166.db2.gz JRCBSDAJKHSHOV-GRYCIOLGSA-N 1 0 249.362 0.665 10 0 BCAERO CO[C@H](C)C[N@@H+]1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000182222355 134342968 /nfs/dbraw/zinc/34/29/68/134342968.db2.gz VVTHZYWSYOTSRZ-UPJWGTAASA-N 1 0 242.363 0.674 10 0 BCAERO C[C@H](CS(C)(=O)=O)[NH2+][C@H]1CC[C@@H](N(C)C)C1 ZINC000223823016 134343283 /nfs/dbraw/zinc/34/32/83/134343283.db2.gz HGVTUKHHZKGYHX-OUAUKWLOSA-N 1 0 248.392 0.492 10 0 BCAERO O=C1NCCC[C@@H]1[NH2+]C[C@H]1CCSC1 ZINC000224410617 134346847 /nfs/dbraw/zinc/34/68/47/134346847.db2.gz PZXCTKJSSOXFDT-BDAKNGLRSA-N 1 0 214.334 0.608 10 0 BCAERO O=C1NCCC[C@H]1[NH2+]C[C@H]1CCSC1 ZINC000224410670 134346963 /nfs/dbraw/zinc/34/69/63/134346963.db2.gz PZXCTKJSSOXFDT-RKDXNWHRSA-N 1 0 214.334 0.608 10 0 BCAERO NC(=O)c1cc(N2CC[N@@H+]3CCC[C@@H]3C2)ccn1 ZINC000184013452 134356236 /nfs/dbraw/zinc/35/62/36/134356236.db2.gz SYFLKCMLDNZZLA-LLVKDONJSA-N 1 0 246.314 0.465 10 0 BCAERO CCC(O)(CC)C[N@@H+]1CCC[C@H](C(=O)NC)C1 ZINC000226013945 134358593 /nfs/dbraw/zinc/35/85/93/134358593.db2.gz VMJGZPSVEYOTBQ-NSHDSACASA-N 1 0 242.363 0.996 10 0 BCAERO C[N@H+](CC1CC(O)C1)[C@@H]1CCCC[C@H]1O ZINC000226249071 134362186 /nfs/dbraw/zinc/36/21/86/134362186.db2.gz DEIGYVQDNIAGLQ-KIDURHIOSA-N 1 0 213.321 0.993 10 0 BCAERO CCC[C@H](C(=O)NCC(=O)N(C)CC)[NH+](C)C ZINC000184543686 134363283 /nfs/dbraw/zinc/36/32/83/134363283.db2.gz OOXLTTPFBKSTND-SNVBAGLBSA-N 1 0 243.351 0.311 10 0 BCAERO C[C@H](c1ccccn1)[N@@H+]1C[C@H](O)C[C@@H]1CO ZINC000184741532 134366141 /nfs/dbraw/zinc/36/61/41/134366141.db2.gz PKXCZIYNUURWJV-GMTAPVOTSA-N 1 0 222.288 0.570 10 0 BCAERO COC(=O)CCN1C[C@H](C)[C@H]([NH+](C)C)C1 ZINC000227228020 134376559 /nfs/dbraw/zinc/37/65/59/134376559.db2.gz KYWKNIFNTZHUFR-VHSXEESVSA-N 1 0 214.309 0.431 10 0 BCAERO CCOc1cc(N2CC[C@@H](C[NH3+])C2)ncn1 ZINC000085482537 134377498 /nfs/dbraw/zinc/37/74/98/134377498.db2.gz YCVXVZRODNWSIT-VIFPVBQESA-N 1 0 222.292 0.660 10 0 BCAERO CC(C)[C@H](CCO)NC(=O)[C@H]1C[NH2+]C[C@@H]1C ZINC000227427162 134380106 /nfs/dbraw/zinc/38/01/06/134380106.db2.gz YASBIAOSCJGXGE-DCAQKATOSA-N 1 0 228.336 0.365 10 0 BCAERO O=c1cc(C[N@H+]2CC[C@@H](CCO)C2)occ1O ZINC000227566298 134383538 /nfs/dbraw/zinc/38/35/38/134383538.db2.gz QRURYOGCZDSHTM-VIFPVBQESA-N 1 0 239.271 0.550 10 0 BCAERO CC(C)OC[C@H](O)C[N@@H+]1CC[C@@H](CCO)C1 ZINC000227576525 134385495 /nfs/dbraw/zinc/38/54/95/134385495.db2.gz UQXCTGYGCKYBOB-NWDGAFQWSA-N 1 0 231.336 0.477 10 0 BCAERO CCCCOC[C@H](O)C[NH2+][C@H]1CCO[C@@H]1C ZINC000227895242 134397919 /nfs/dbraw/zinc/39/79/19/134397919.db2.gz WYWPVYBCDRYXEC-UTUOFQBUSA-N 1 0 231.336 0.931 10 0 BCAERO CCO[C@H]1C[C@@H]([NH2+]CCCO)C12CCOCC2 ZINC000186199827 134407370 /nfs/dbraw/zinc/40/73/70/134407370.db2.gz YMERISKSGMUYOO-NEPJUHHUSA-N 1 0 243.347 0.933 10 0 BCAERO COCCC(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000085727266 134517643 /nfs/dbraw/zinc/51/76/43/134517643.db2.gz JUYAASJYAMOZEG-DTWKUNHWSA-N 1 0 200.282 0.280 10 0 BCAERO C[C@H]([NH3+])CCNc1nnnn1-c1ccccc1 ZINC000063171454 134524331 /nfs/dbraw/zinc/52/43/31/134524331.db2.gz RYJQLHQVJLPCHM-VIFPVBQESA-N 1 0 232.291 0.812 10 0 BCAERO COC(=O)[C@H](C)C[NH+]1CCC([C@@H](C)O)CC1 ZINC000234537677 134579697 /nfs/dbraw/zinc/57/96/97/134579697.db2.gz PABQBFQAMYKJKB-NXEZZACHSA-N 1 0 229.320 0.888 10 0 BCAERO C[C@@H]1CN(C(=O)Cc2ccncc2)C[C@@H]1[NH3+] ZINC000235339042 134592092 /nfs/dbraw/zinc/59/20/92/134592092.db2.gz IFUZWBXGMRVQAV-KOLCDFICSA-N 1 0 219.288 0.430 10 0 BCAERO Cc1ccc(C(=O)N2C[C@H](C)[C@H]([NH3+])C2)cn1 ZINC000235634433 134596293 /nfs/dbraw/zinc/59/62/93/134596293.db2.gz FVCFVGZGFQTJNR-GZMMTYOYSA-N 1 0 219.288 0.809 10 0 BCAERO C[C@H]1CN(C(=O)CCc2ccccn2)C[C@@H]1[NH3+] ZINC000235656795 134596878 /nfs/dbraw/zinc/59/68/78/134596878.db2.gz QRFWHWOLHQKDBE-JQWIXIFHSA-N 1 0 233.315 0.820 10 0 BCAERO CC(C)NC(=O)N1C[C@H](C)[C@H]([NH+](C)C)C1 ZINC000130381948 134618607 /nfs/dbraw/zinc/61/86/07/134618607.db2.gz RXPNRTCZRAGMID-VHSXEESVSA-N 1 0 213.325 0.986 10 0 BCAERO C[C@H]1CN(C(=O)C[C@@H]2C[NH2+]CCO2)CCS1 ZINC000155693967 134695428 /nfs/dbraw/zinc/69/54/28/134695428.db2.gz ZJQQJKROHCHTRP-VHSXEESVSA-N 1 0 244.360 0.329 10 0 BCAERO C[C@H]1OCC[C@H]1[NH2+]CCN1CCOCC1 ZINC000134378239 134708315 /nfs/dbraw/zinc/70/83/15/134708315.db2.gz NZQFQMLDLFZHJH-GHMZBOCLSA-N 1 0 214.309 0.086 10 0 BCAERO C[NH2+]C[C@H]1CCCN1c1nnc(C)c(C)n1 ZINC000158985988 134758233 /nfs/dbraw/zinc/75/82/33/134758233.db2.gz ZWASJLKYJYHRIZ-SNVBAGLBSA-N 1 0 221.308 0.677 10 0 BCAERO CC(C)OCC(=O)NC[C@@H]1CC[NH2+]C1 ZINC000159108007 134761917 /nfs/dbraw/zinc/76/19/17/134761917.db2.gz RXCKHDDOGICWTR-SECBINFHSA-N 1 0 200.282 0.137 10 0 BCAERO COC[C@@H](C)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000178742413 134907861 /nfs/dbraw/zinc/90/78/61/134907861.db2.gz RJWYNXHDTMVURS-RKDXNWHRSA-N 1 0 200.282 0.137 10 0 BCAERO CO[C@H](C)CN1CCO[C@@H](C[NH+](C)C)C1 ZINC000248447258 135010260 /nfs/dbraw/zinc/01/02/60/135010260.db2.gz XAKYSVPEWTVBRA-MNOVXSKESA-N 1 0 216.325 0.284 10 0 BCAERO CC[C@@H]1CC[C@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC000070760277 135011957 /nfs/dbraw/zinc/01/19/57/135011957.db2.gz JIWYHENMSRKMAE-ZJUUUORDSA-N 1 0 234.365 0.704 10 0 BCAERO CCCCOC[C@H](O)C[N@@H+]1CC[C@@H]([C@H](C)O)C1 ZINC000248661790 135018178 /nfs/dbraw/zinc/01/81/78/135018178.db2.gz XQMUGSKTIXWQPP-YNEHKIRRSA-N 1 0 245.363 0.867 10 0 BCAERO NC(=O)c1cc(N2CC[N@@H+]3CCC[C@H]3C2)ccn1 ZINC000248753553 135020657 /nfs/dbraw/zinc/02/06/57/135020657.db2.gz SYFLKCMLDNZZLA-NSHDSACASA-N 1 0 246.314 0.465 10 0 BCAERO C[C@@H]1C[C@H]1C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000249837432 135045953 /nfs/dbraw/zinc/04/59/53/135045953.db2.gz SVJMHBPMPFWHCZ-OUAUKWLOSA-N 1 0 208.305 0.949 10 0 BCAERO COC(=O)[C@](C)(O)C[N@@H+]1CCC[C@H]1CCCO ZINC000251086621 135063801 /nfs/dbraw/zinc/06/38/01/135063801.db2.gz JFPQPJSIAVJKEH-CMPLNLGQSA-N 1 0 245.319 0.147 10 0 BCAERO C[C@H]([NH2+][C@H]1CCCC[C@H]1O)c1nncn1C ZINC000251297781 135068036 /nfs/dbraw/zinc/06/80/36/135068036.db2.gz XZGITMNIJVCTIY-LPEHRKFASA-N 1 0 224.308 0.769 10 0 BCAERO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]C(CO)CO ZINC000238850903 135078707 /nfs/dbraw/zinc/07/87/07/135078707.db2.gz DJSQLDOMGUXGOC-JZYVYDRUSA-N 1 0 201.310 0.754 10 0 BCAERO CCOC(=O)CN1CC[N@@H+]2CCCC[C@H]2C1 ZINC000248358327 135087408 /nfs/dbraw/zinc/08/74/08/135087408.db2.gz QQZJETYAKZFYCG-NSHDSACASA-N 1 0 226.320 0.720 10 0 BCAERO CC[C@H]1COCC[N@@H+]1C[C@H](C)C(=O)OC ZINC000252372133 135087837 /nfs/dbraw/zinc/08/78/37/135087837.db2.gz HBEMICHDOAJKDT-UWVGGRQHSA-N 1 0 215.293 0.906 10 0 BCAERO C[C@H]([NH3+])CC(=O)N[C@@H](C)[C@H]1CCCO1 ZINC000252433001 135088951 /nfs/dbraw/zinc/08/89/51/135088951.db2.gz DCLQYKXGXZOPJF-XHNCKOQMSA-N 1 0 200.282 0.407 10 0 BCAERO COC(=O)[C@H](C)C[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000252448262 135089610 /nfs/dbraw/zinc/08/96/10/135089610.db2.gz URRDADBCHVUYQL-UTLUCORTSA-N 1 0 215.293 0.905 10 0 BCAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@H]1CCCO1 ZINC000252443639 135090092 /nfs/dbraw/zinc/09/00/92/135090092.db2.gz DCDFFLZQRSEIIS-GRYCIOLGSA-N 1 0 238.331 0.861 10 0 BCAERO COC(=O)[C@@H](C)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000086657858 135092042 /nfs/dbraw/zinc/09/20/42/135092042.db2.gz JHJUIXHMWJHVRS-GHMZBOCLSA-N 1 0 226.320 0.718 10 0 BCAERO CN1CCO[C@@H](C[NH2+][C@H]2CCCOCC2)C1 ZINC000252556278 135092544 /nfs/dbraw/zinc/09/25/44/135092544.db2.gz STVWDWXZGMVEAM-RYUDHWBXSA-N 1 0 228.336 0.476 10 0 BCAERO C[C@H]([NH2+]C[C@H]1CN(C)CCO1)[C@H]1CCCO1 ZINC000252637001 135092982 /nfs/dbraw/zinc/09/29/82/135092982.db2.gz HIMJLAYQQBTKCQ-SDDRHHMPSA-N 1 0 228.336 0.474 10 0 BCAERO C[NH2+]C[C@H](C)C(=O)N[C@@H](C)[C@H]1CCCO1 ZINC000252637406 135093420 /nfs/dbraw/zinc/09/34/20/135093420.db2.gz HSFDDPCPZQRPSG-LPEHRKFASA-N 1 0 214.309 0.526 10 0 BCAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C[C@H]1COCCO1 ZINC000252693919 135096903 /nfs/dbraw/zinc/09/69/03/135096903.db2.gz SUJOFHDVLRRAHI-UPJWGTAASA-N 1 0 240.347 0.570 10 0 BCAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C[C@H]1COCCO1 ZINC000252693917 135097437 /nfs/dbraw/zinc/09/74/37/135097437.db2.gz SUJOFHDVLRRAHI-AGIUHOORSA-N 1 0 240.347 0.570 10 0 BCAERO OC[C@@H]1CN(CC[NH+]2CCCCC2)CCO1 ZINC000086831668 135097969 /nfs/dbraw/zinc/09/79/69/135097969.db2.gz ZIKGYHDALSFUDL-LBPRGKRZSA-N 1 0 228.336 0.165 10 0 BCAERO O=C(NC[C@@H]1CCCSC1)NC1C[NH2+]C1 ZINC000258610248 135102846 /nfs/dbraw/zinc/10/28/46/135102846.db2.gz QYBJFUDSURILPT-QMMMGPOBSA-N 1 0 229.349 0.401 10 0 BCAERO COCCNC(=O)[C@H]1CCC[NH2+][C@@H]1C ZINC000087121910 135106843 /nfs/dbraw/zinc/10/68/43/135106843.db2.gz SPFBZCBHGVVPOO-BDAKNGLRSA-N 1 0 200.282 0.137 10 0 BCAERO C[C@H](O)[C@@H]1CC[N@@H+]([C@H]2CCCC[C@H]2O)C1 ZINC000252752690 135107710 /nfs/dbraw/zinc/10/77/10/135107710.db2.gz BZPOVFMPYPPCKM-WHOHXGKFSA-N 1 0 213.321 0.993 10 0 BCAERO CCC[C@](C)([NH3+])C(=O)N[C@@H](C)[C@H](C)CO ZINC000252777049 135108420 /nfs/dbraw/zinc/10/84/20/135108420.db2.gz OQEGGCOCPVSMPN-YWVKMMECSA-N 1 0 216.325 0.637 10 0 BCAERO C1OCC1[NH2+][C@@H]1CCO[C@]2(CCOC2)C1 ZINC000087195479 135111226 /nfs/dbraw/zinc/11/12/26/135111226.db2.gz GHCZYTUYGRAWFA-MWLCHTKSSA-N 1 0 213.277 0.313 10 0 BCAERO COC(=O)[C@H](C)C[N@@H+]1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000252873583 135114687 /nfs/dbraw/zinc/11/46/87/135114687.db2.gz PNADGDCMXSAXMJ-RCWTZXSCSA-N 1 0 227.304 0.498 10 0 BCAERO CNC(=O)N1C[C@@H]2CCCC[N@@H+]2C[C@H]1C ZINC000252890015 135116842 /nfs/dbraw/zinc/11/68/42/135116842.db2.gz GFMFGBLSASGOPB-ZJUUUORDSA-N 1 0 211.309 0.884 10 0 BCAERO C[C@H](CO)[C@H](C)[NH2+]C[C@H](O)COC(C)(C)C ZINC000252951968 135117336 /nfs/dbraw/zinc/11/73/36/135117336.db2.gz PLCVHMXAKPZAHN-VWYCJHECSA-N 1 0 233.352 0.769 10 0 BCAERO C[C@H]1CCN(c2ncccn2)C[C@H]1C[NH3+] ZINC000253186870 135122993 /nfs/dbraw/zinc/12/29/93/135122993.db2.gz IZVLJMUYBXITQH-VHSXEESVSA-N 1 0 206.293 0.898 10 0 BCAERO C[C@H]1CCN(c2cnccn2)C[C@H]1C[NH3+] ZINC000253196960 135123828 /nfs/dbraw/zinc/12/38/28/135123828.db2.gz UECXYYGDTQETFD-VHSXEESVSA-N 1 0 206.293 0.898 10 0 BCAERO Cc1cnn(CC2CCN(CC[NH3+])CC2)c1 ZINC000263024300 135124293 /nfs/dbraw/zinc/12/42/93/135124293.db2.gz RELZLMMEVQATQM-UHFFFAOYSA-N 1 0 222.336 0.862 10 0 BCAERO C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000253272447 135125618 /nfs/dbraw/zinc/12/56/18/135125618.db2.gz CDQJWJOIIYVNNN-QJPTWQEYSA-N 1 0 240.347 0.964 10 0 BCAERO O=C(NC[C@@H]1CCSC1)NC1C[NH2+]C1 ZINC000258663068 135132879 /nfs/dbraw/zinc/13/28/79/135132879.db2.gz SNAGFJPWRRSDDG-ZETCQYMHSA-N 1 0 215.322 0.011 10 0 BCAERO C[NH2+]CC(=O)NCCC1CCOCC1 ZINC000258875119 135134967 /nfs/dbraw/zinc/13/49/67/135134967.db2.gz SYOOXFJDHVPOKV-UHFFFAOYSA-N 1 0 200.282 0.139 10 0 BCAERO CCCS(=O)(=O)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000259169724 135137926 /nfs/dbraw/zinc/13/79/26/135137926.db2.gz NXJJZRIDWNITIX-VIFPVBQESA-N 1 0 234.365 0.785 10 0 BCAERO COCCCC(=O)N1CCCC[C@H]1C[NH3+] ZINC000087436944 135139804 /nfs/dbraw/zinc/13/98/04/135139804.db2.gz ATHYJMYXTSUPQE-JTQLQIEISA-N 1 0 214.309 0.753 10 0 BCAERO Cc1ccnc(N2CCN([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000257695518 135140235 /nfs/dbraw/zinc/14/02/35/135140235.db2.gz KBQHWUFAOKBUCN-CYBMUJFWSA-N 1 0 246.358 0.874 10 0 BCAERO CCOCCCC(=O)N(C)C1C[NH2+]C1 ZINC000087437563 135140612 /nfs/dbraw/zinc/14/06/12/135140612.db2.gz ZZVFVYCAYNPOAM-UHFFFAOYSA-N 1 0 200.282 0.233 10 0 BCAERO Cc1cc(NC(=O)[C@@H]2CC[C@H]([NH3+])C2)nn1C ZINC000257714281 135140606 /nfs/dbraw/zinc/14/06/06/135140606.db2.gz SPHONUXSIKGXNA-BDAKNGLRSA-N 1 0 222.292 0.794 10 0 BCAERO Cc1ccncc1C(=O)N1CCC[C@H]1C[NH3+] ZINC000257724071 135140924 /nfs/dbraw/zinc/14/09/24/135140924.db2.gz UDIVYYZVRLYUCL-JTQLQIEISA-N 1 0 219.288 0.953 10 0 BCAERO C[C@H]1CN(C[C@@H]2CCC[NH2+]C2)CC(=O)N1C ZINC000257772250 135141350 /nfs/dbraw/zinc/14/13/50/135141350.db2.gz DHENZZMZMSLJCS-WDEREUQCSA-N 1 0 225.336 0.149 10 0 BCAERO COC(=O)C[C@@H]1CSCC[N@@H+]1[C@H]1CCOC1 ZINC000259819561 135144461 /nfs/dbraw/zinc/14/44/61/135144461.db2.gz WHVIRNIXUYMJAP-VHSXEESVSA-N 1 0 245.344 0.756 10 0 BCAERO CS[C@@H](C)C(=O)NC[C@@H]1CC[NH2+]C1 ZINC000261527481 135152286 /nfs/dbraw/zinc/15/22/86/135152286.db2.gz BSWUGDDDICZCQE-JGVFFNPUSA-N 1 0 202.323 0.464 10 0 BCAERO CSC[C@H](C)C(=O)NC[C@H]1CC[NH2+]C1 ZINC000261527471 135152307 /nfs/dbraw/zinc/15/23/07/135152307.db2.gz BNDZIQPLVJDQIS-IUCAKERBSA-N 1 0 216.350 0.711 10 0 BCAERO CSC[C@H](C)C(=O)N1CC[C@H]([NH3+])[C@H]1C ZINC000261527960 135153104 /nfs/dbraw/zinc/15/31/04/135153104.db2.gz IESRGESAIPBHMX-YIZRAAEISA-N 1 0 216.350 0.934 10 0 BCAERO COCC(=O)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261528366 135153480 /nfs/dbraw/zinc/15/34/80/135153480.db2.gz KWXZVBSMDHEWSH-MRVPVSSYSA-N 1 0 200.282 0.219 10 0 BCAERO C[C@@H]1CN(C(=O)[C@H]2CCCS2)C[C@H]1[NH3+] ZINC000261530415 135157360 /nfs/dbraw/zinc/15/73/60/135157360.db2.gz ZQRVUESYVBSNJH-IWSPIJDZSA-N 1 0 214.334 0.688 10 0 BCAERO COCCc1nsc(NCC(C)(C)[NH3+])n1 ZINC000261530320 135157804 /nfs/dbraw/zinc/15/78/04/135157804.db2.gz CKTYRSFNTHLLFT-UHFFFAOYSA-N 1 0 230.337 0.876 10 0 BCAERO C[C@@H]1[C@H]([NH3+])CCN1S(=O)(=O)CCC1CC1 ZINC000261530847 135159376 /nfs/dbraw/zinc/15/93/76/135159376.db2.gz DHKRTDNXJBGNIK-PSASIEDQSA-N 1 0 232.349 0.538 10 0 BCAERO CCOc1cc(NC[C@@H](C)[NH2+]C)ncn1 ZINC000261532014 135161694 /nfs/dbraw/zinc/16/16/94/135161694.db2.gz ITNRJPJLWHDRDB-MRVPVSSYSA-N 1 0 210.281 0.895 10 0 BCAERO O=C(NC[C@@H]1CC[NH2+]C1)[C@@H]1CCCOC1 ZINC000087654592 135161978 /nfs/dbraw/zinc/16/19/78/135161978.db2.gz RLONHWRLLZMQDL-NXEZZACHSA-N 1 0 212.293 0.139 10 0 BCAERO [NH3+]CCN1CCO[C@H](COCC2CC2)C1 ZINC000261532209 135162900 /nfs/dbraw/zinc/16/29/00/135162900.db2.gz JPXGLALQSBSIQU-NSHDSACASA-N 1 0 214.309 0.073 10 0 BCAERO C[NH2+][C@@H](C)CNS(=O)(=O)N1CCCC[C@H]1C ZINC000261532724 135163365 /nfs/dbraw/zinc/16/33/65/135163365.db2.gz DGTOKPZBHHZAFB-VHSXEESVSA-N 1 0 249.380 0.303 10 0 BCAERO CN(C(=O)[C@@H]1C[C@]12CC[NH2+]C2)C1CCC1 ZINC000261533189 135163914 /nfs/dbraw/zinc/16/39/14/135163914.db2.gz AWQBGYHVQFQNJU-JQWIXIFHSA-N 1 0 208.305 0.997 10 0 BCAERO CCCNS(=O)(=O)N1CC[C@H](C)C[C@H]1C[NH3+] ZINC000261533963 135166236 /nfs/dbraw/zinc/16/62/36/135166236.db2.gz MCQJGGJGKYORHM-UWVGGRQHSA-N 1 0 249.380 0.290 10 0 BCAERO C[C@@H]1CN(C(=O)C[C@H]2CCCCO2)C[C@H]1[NH3+] ZINC000261535003 135168398 /nfs/dbraw/zinc/16/83/98/135168398.db2.gz VLUSOVIIOQBATR-GMTAPVOTSA-N 1 0 226.320 0.751 10 0 BCAERO C[C@@H]1[C@H]([NH3+])CCN1Cc1cnc(N)s1 ZINC000261534876 135169063 /nfs/dbraw/zinc/16/90/63/135169063.db2.gz NHFAKCGVKWZNSF-HTRCEHHLSA-N 1 0 212.322 0.647 10 0 BCAERO CCS[C@@H]1CCC[C@H]1NC(=O)[C@H]([NH3+])COC ZINC000261535486 135169840 /nfs/dbraw/zinc/16/98/40/135169840.db2.gz ZOMGAVYHVAHENZ-OPRDCNLKSA-N 1 0 246.376 0.751 10 0 BCAERO C[NH2+]CCNC(=O)c1ncncc1Cl ZINC000261536709 135171859 /nfs/dbraw/zinc/17/18/59/135171859.db2.gz SONPEVFIYKPKIY-UHFFFAOYSA-N 1 0 214.656 0.079 10 0 BCAERO C[NH2+]CCC(=O)N1[C@H](C)COC[C@@H]1C ZINC000261537474 135174118 /nfs/dbraw/zinc/17/41/18/135174118.db2.gz VSGFGCLCBJLVQH-DTORHVGOSA-N 1 0 200.282 0.232 10 0 BCAERO COc1cc(N2CC[C@]3(CC[NH2+]C3)C2)ncn1 ZINC000261540962 135180280 /nfs/dbraw/zinc/18/02/80/135180280.db2.gz ASFWGQPUAIYLIL-LBPRGKRZSA-N 1 0 234.303 0.675 10 0 BCAERO O=C(NC[C@@H]1CCC[NH2+]1)[C@@H]1C[C@H]1C1CC1 ZINC000261541381 135180638 /nfs/dbraw/zinc/18/06/38/135180638.db2.gz FSSSGLLUDQCJMY-GARJFASQSA-N 1 0 208.305 0.901 10 0 BCAERO O=C(NC[C@@H]1CCC[NH2+]1)[C@@H]1C[C@@H]1C1CC1 ZINC000261541382 135180735 /nfs/dbraw/zinc/18/07/35/135180735.db2.gz FSSSGLLUDQCJMY-HBNTYKKESA-N 1 0 208.305 0.901 10 0 BCAERO Cc1ncc(CNC[C@@H]2C[NH2+]C[C@H]2O)s1 ZINC000261541090 135180739 /nfs/dbraw/zinc/18/07/39/135180739.db2.gz FMXXRPQWRSGNHC-PSASIEDQSA-N 1 0 227.333 0.121 10 0 BCAERO Cc1n[nH]cc1C(=O)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261543382 135183916 /nfs/dbraw/zinc/18/39/16/135183916.db2.gz DASLRVYFEVAELR-SNVBAGLBSA-N 1 0 236.319 0.918 10 0 BCAERO C[NH+](C)[C@@H]1CCCN(Cc2noc(CN)n2)C1 ZINC000261544479 135185271 /nfs/dbraw/zinc/18/52/71/135185271.db2.gz YQSLIPGXGYQMGC-SECBINFHSA-N 1 0 239.323 0.054 10 0 BCAERO COC[C@H](C)C(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000261544875 135186016 /nfs/dbraw/zinc/18/60/16/135186016.db2.gz JHIMZZFLKGDZFP-IVZWLZJFSA-N 1 0 214.309 0.465 10 0 BCAERO COC[C@H](C)C(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000261544873 135186085 /nfs/dbraw/zinc/18/60/85/135186085.db2.gz JHIMZZFLKGDZFP-AEJSXWLSSA-N 1 0 214.309 0.465 10 0 BCAERO CCNC(=O)[C@@H](C)NC(=O)CC[C@H]1CCC[NH2+]1 ZINC000261548516 135186453 /nfs/dbraw/zinc/18/64/53/135186453.db2.gz JLZCPTQPTJFONA-NXEZZACHSA-N 1 0 241.335 0.159 10 0 BCAERO COc1ccnc(N2CC[C@H]3[NH2+]CC[C@@H]3C2)n1 ZINC000261545097 135186649 /nfs/dbraw/zinc/18/66/49/135186649.db2.gz FMWAIWUXXJYTNY-NXEZZACHSA-N 1 0 234.303 0.673 10 0 BCAERO CN(C(=O)[C@@H]1C[C@H]1C1CC1)[C@@H]1CC[NH2+]C1 ZINC000261548645 135187351 /nfs/dbraw/zinc/18/73/51/135187351.db2.gz NSTGRYMOCVWPBR-OUAUKWLOSA-N 1 0 208.305 0.853 10 0 BCAERO C[C@@H](C(=O)NC1CC1)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261549013 135187563 /nfs/dbraw/zinc/18/75/63/135187563.db2.gz KCWUAZKQLNJFHR-ONGXEEELSA-N 1 0 239.363 0.713 10 0 BCAERO C[C@H](C(=O)NC1CC1)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261549012 135187568 /nfs/dbraw/zinc/18/75/68/135187568.db2.gz KCWUAZKQLNJFHR-MWLCHTKSSA-N 1 0 239.363 0.713 10 0 BCAERO C[NH2+][C@@H](C)CNC(=O)c1[nH]c(C)cc1C ZINC000261550065 135189136 /nfs/dbraw/zinc/18/91/36/135189136.db2.gz PGGUQIZSAKRESR-VIFPVBQESA-N 1 0 209.293 0.969 10 0 BCAERO C[C@H]1CN(C)CCN1C(=O)CC[C@@H]1CCC[NH2+]1 ZINC000261551257 135190404 /nfs/dbraw/zinc/19/04/04/135190404.db2.gz LXWDYMKWDRRRIU-RYUDHWBXSA-N 1 0 239.363 0.681 10 0 BCAERO COC[C@H](C)C(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000261552833 135191704 /nfs/dbraw/zinc/19/17/04/135191704.db2.gz RWZAYMJVHWTZQC-KXUCPTDWSA-N 1 0 214.309 0.383 10 0 BCAERO CSCCC(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000084212541 135191823 /nfs/dbraw/zinc/19/18/23/135191823.db2.gz XBOITHCDHJBISM-DTWKUNHWSA-N 1 0 216.350 0.983 10 0 BCAERO CCC1(C[NH2+]C[C@H]2CNCCO2)CCOCC1 ZINC000261553312 135192687 /nfs/dbraw/zinc/19/26/87/135192687.db2.gz NVGKBKJGXLTKJL-GFCCVEGCSA-N 1 0 242.363 0.771 10 0 BCAERO CN(C)c1nccc(N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)n1 ZINC000261553770 135192728 /nfs/dbraw/zinc/19/27/28/135192728.db2.gz ANURYRXIUKRAGK-AXFHLTTASA-N 1 0 247.346 0.716 10 0 BCAERO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@H]1C[C@H]1C1CC1 ZINC000261553214 135193089 /nfs/dbraw/zinc/19/30/89/135193089.db2.gz SJEHRLXEHBXQOY-LADJIXMOSA-N 1 0 206.289 0.367 10 0 BCAERO CC(C)[C@H](NC(=O)[C@H]1CCC[C@H]([NH3+])C1)C(N)=O ZINC000261553282 135193104 /nfs/dbraw/zinc/19/31/04/135193104.db2.gz NSLFUHVLIRDKDU-GUBZILKMSA-N 1 0 241.335 0.130 10 0 BCAERO O=C(NC[C@H]1CCC[C@H]1O)C1CC[NH2+]CC1 ZINC000084238830 135194294 /nfs/dbraw/zinc/19/42/94/135194294.db2.gz UQYSLEZWEIRWNZ-GHMZBOCLSA-N 1 0 226.320 0.263 10 0 BCAERO O=C(NC[C@@H]1CCC[C@@H]1O)[C@@H]1CCCC[NH2+]1 ZINC000084238725 135194356 /nfs/dbraw/zinc/19/43/56/135194356.db2.gz MYHIXKBVYYQCNO-DCAQKATOSA-N 1 0 226.320 0.406 10 0 BCAERO C[C@H]([NH3+])CC(=O)NC[C@H]1CCC[C@@H]1O ZINC000084238595 135194362 /nfs/dbraw/zinc/19/43/62/135194362.db2.gz BICJFONFJVFCTF-YIZRAAEISA-N 1 0 200.282 0.001 10 0 BCAERO CC(C)[C@@H]([NH3+])C(=O)NC[C@H]1CCC[C@@H]1O ZINC000084238764 135194486 /nfs/dbraw/zinc/19/44/86/135194486.db2.gz NJVBOGCVFSTAEV-KXUCPTDWSA-N 1 0 214.309 0.247 10 0 BCAERO [NH3+]C1(C(=O)NC[C@@H]2CCC[C@@H]2O)CCCC1 ZINC000084238978 135194502 /nfs/dbraw/zinc/19/45/02/135194502.db2.gz IDTFLYGVDMHGOB-UWVGGRQHSA-N 1 0 226.320 0.535 10 0 BCAERO C[C@]1(C(=O)NC[C@@H]2CCC[C@@H]2O)CC[NH2+]C1 ZINC000084238961 135194557 /nfs/dbraw/zinc/19/45/57/135194557.db2.gz SAEXHHYUQHZFTG-NHCYSSNCSA-N 1 0 226.320 0.263 10 0 BCAERO CC(C)([NH3+])C(=O)NC[C@@H]1CCC[C@H]1O ZINC000084238490 135194643 /nfs/dbraw/zinc/19/46/43/135194643.db2.gz MGLQGCGPNVBZDD-JGVFFNPUSA-N 1 0 200.282 0.001 10 0 BCAERO O=C(NC[C@H]1CC[NH2+]C1)[C@H]1CSCCS1 ZINC000261555718 135195583 /nfs/dbraw/zinc/19/55/83/135195583.db2.gz VDTOFTNYVHZTDK-DTWKUNHWSA-N 1 0 246.401 0.561 10 0 BCAERO C[NH2+]CCN(C)C(=O)c1ncncc1Cl ZINC000261556206 135196407 /nfs/dbraw/zinc/19/64/07/135196407.db2.gz VRVAORRNPBNQAR-UHFFFAOYSA-N 1 0 228.683 0.421 10 0 BCAERO CN(C(=O)CN1CC[C@H]2C[NH2+]C[C@H]2C1)C1CC1 ZINC000261556183 135196432 /nfs/dbraw/zinc/19/64/32/135196432.db2.gz QMWVJOPVSYFGAH-QWRGUYRKSA-N 1 0 237.347 0.149 10 0 BCAERO Cc1csc(CNC[C@@H]2C[NH2+]C[C@@H]2O)n1 ZINC000261557331 135197482 /nfs/dbraw/zinc/19/74/82/135197482.db2.gz XFBBZGCSOKDYRA-IUCAKERBSA-N 1 0 227.333 0.121 10 0 BCAERO C[C@H]1CN(CC(=O)NCc2ccccc2)C[C@H]1[NH3+] ZINC000261560063 135200421 /nfs/dbraw/zinc/20/04/21/135200421.db2.gz ZLXDSISXPUFIBP-WCQYABFASA-N 1 0 247.342 0.582 10 0 BCAERO Cc1nccn1CCNC(=O)[C@H]1CCC[C@@H]1[NH3+] ZINC000261560436 135201206 /nfs/dbraw/zinc/20/12/06/135201206.db2.gz UPNKZIAZFPXTTD-QWRGUYRKSA-N 1 0 236.319 0.435 10 0 BCAERO CC(C)[C@H](C)NC(=O)CCOC1C[NH2+]C1 ZINC000261560340 135201263 /nfs/dbraw/zinc/20/12/63/135201263.db2.gz ZSJJSNICJKILAU-VIFPVBQESA-N 1 0 214.309 0.526 10 0 BCAERO CCC(C)(C)C(=O)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000261560409 135201423 /nfs/dbraw/zinc/20/14/23/135201423.db2.gz ZWUGNQPWIQHDEA-IUCAKERBSA-N 1 0 214.309 0.119 10 0 BCAERO O=C(CSC(F)(F)F)NC[C@@H]1CC[NH2+]C1 ZINC000261560105 135201438 /nfs/dbraw/zinc/20/14/38/135201438.db2.gz ZPQVVGQVYBLNTM-ZCFIWIBFSA-N 1 0 242.266 0.965 10 0 BCAERO Cc1cc(C(=O)N2CC[C@H]([NH3+])C(C)(C)C2)[nH]n1 ZINC000261561130 135201695 /nfs/dbraw/zinc/20/16/95/135201695.db2.gz VELMYZUMVDQKOE-JTQLQIEISA-N 1 0 236.319 0.918 10 0 BCAERO CC(C)CNC(=O)CN1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261560756 135202319 /nfs/dbraw/zinc/20/23/19/135202319.db2.gz UUUGAFZTGKZAJM-NEPJUHHUSA-N 1 0 239.363 0.300 10 0 BCAERO C(c1noc(C2CC2)n1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261561619 135203018 /nfs/dbraw/zinc/20/30/18/135203018.db2.gz GAGSMMMNQRYCII-GHMZBOCLSA-N 1 0 248.330 0.988 10 0 BCAERO CC[C@H](C)[C@@H]([NH3+])C(=O)NCCC[C@H](C)CO ZINC000261562370 135203500 /nfs/dbraw/zinc/20/35/00/135203500.db2.gz BGAMEXRPJXWDBQ-GARJFASQSA-N 1 0 230.352 0.885 10 0 BCAERO Cc1noc(CNC(=O)CC[C@H]2CCC[NH2+]2)n1 ZINC000261562337 135203508 /nfs/dbraw/zinc/20/35/08/135203508.db2.gz WFKATJKEUQPDEF-SECBINFHSA-N 1 0 238.291 0.526 10 0 BCAERO [NH3+]C1CCN(C(=O)[C@@H]2C[C@@H]2C2CC2)CC1 ZINC000261562352 135203640 /nfs/dbraw/zinc/20/36/40/135203640.db2.gz BFXYLCUEHNJHDK-GHMZBOCLSA-N 1 0 208.305 0.982 10 0 BCAERO Cn1cc([C@@H]2CCC[N@@H+]2CCOCC[NH3+])cn1 ZINC000261563381 135205460 /nfs/dbraw/zinc/20/54/60/135205460.db2.gz XAAYUNXLJDOEDO-LBPRGKRZSA-N 1 0 238.335 0.532 10 0 BCAERO Cc1nccc(N2CC[C@@H]3[NH2+]CC[C@@H]3C2)n1 ZINC000261564176 135205916 /nfs/dbraw/zinc/20/59/16/135205916.db2.gz CIWINPDUORGCJQ-MNOVXSKESA-N 1 0 218.304 0.973 10 0 BCAERO CC(C)(C)NC(=O)CN1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261564559 135206776 /nfs/dbraw/zinc/20/67/76/135206776.db2.gz XSUMMJXTPNYYSM-AXFHLTTASA-N 1 0 239.363 0.570 10 0 BCAERO CC(C)(C)NC(=O)CN1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261564562 135206835 /nfs/dbraw/zinc/20/68/35/135206835.db2.gz XSUMMJXTPNYYSM-DCAQKATOSA-N 1 0 239.363 0.570 10 0 BCAERO CO[C@H]1CCN(C(=O)[C@@H]2CCC[C@H]2[NH3+])C1 ZINC000261564866 135207124 /nfs/dbraw/zinc/20/71/24/135207124.db2.gz CVDRVSXQARLTAB-IVZWLZJFSA-N 1 0 212.293 0.361 10 0 BCAERO C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NC(=O)[C@@H]1CCCO1 ZINC000261568418 135210143 /nfs/dbraw/zinc/21/01/43/135210143.db2.gz FONOUPOPVFSGLC-VPOLOUISSA-N 1 0 226.320 0.668 10 0 BCAERO COc1cc(N2CC[C@@H](C)[C@@H](C[NH3+])C2)ncn1 ZINC000163935041 135210472 /nfs/dbraw/zinc/21/04/72/135210472.db2.gz DYRJKZVTJBXJBY-ZJUUUORDSA-N 1 0 236.319 0.906 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N(C(C)C)C1CCC1 ZINC000261568382 135210689 /nfs/dbraw/zinc/21/06/89/135210689.db2.gz FMUQQJZKLYTLMX-SNVBAGLBSA-N 1 0 214.309 0.750 10 0 BCAERO C[C@H]1CCN(c2ccnc(C(N)=O)c2)C[C@@H]1C[NH3+] ZINC000163950973 135211003 /nfs/dbraw/zinc/21/10/03/135211003.db2.gz NOKQWNPLSVINIZ-UWVGGRQHSA-N 1 0 248.330 0.602 10 0 BCAERO [NH3+][C@@H](C(=O)NCC(F)F)C1CCOCC1 ZINC000261571055 135213486 /nfs/dbraw/zinc/21/34/86/135213486.db2.gz HJCDIELRXSCZSZ-MRVPVSSYSA-N 1 0 222.235 0.122 10 0 BCAERO CO[C@H]1CCN(C(=O)[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000261571658 135213614 /nfs/dbraw/zinc/21/36/14/135213614.db2.gz HQWOZWRTZWPMRC-UTLUCORTSA-N 1 0 212.293 0.361 10 0 BCAERO CC(C)CNC(=O)[C@@H]([NH3+])C1CCOCC1 ZINC000261571667 135214353 /nfs/dbraw/zinc/21/43/53/135214353.db2.gz HRLNQYUCOJRJAN-JTQLQIEISA-N 1 0 214.309 0.513 10 0 BCAERO C[C@@H]1[C@@H]([NH3+])CCN1c1nnnn1-c1ccccc1 ZINC000261578463 135220060 /nfs/dbraw/zinc/22/00/60/135220060.db2.gz OZZXKNLWJCGDOA-KOLCDFICSA-N 1 0 244.302 0.588 10 0 BCAERO Cc1nccc(CNC(=O)CC[C@H]2CCC[NH2+]2)n1 ZINC000261580375 135221460 /nfs/dbraw/zinc/22/14/60/135221460.db2.gz PZIPZPWYXJLMGT-LLVKDONJSA-N 1 0 248.330 0.933 10 0 BCAERO [NH3+]CCN1CC[C@@H](CNc2ccccn2)C1 ZINC000261582383 135223191 /nfs/dbraw/zinc/22/31/91/135223191.db2.gz OIBGSVZMXLVJFN-NSHDSACASA-N 1 0 220.320 0.774 10 0 BCAERO [NH3+]CCN1CC[C@H](CNc2ccccn2)C1 ZINC000261582382 135223219 /nfs/dbraw/zinc/22/32/19/135223219.db2.gz OIBGSVZMXLVJFN-LLVKDONJSA-N 1 0 220.320 0.774 10 0 BCAERO C[C@H]1CCN(Cc2cnn(C)n2)[C@@H](C[NH3+])C1 ZINC000261583854 135225186 /nfs/dbraw/zinc/22/51/86/135225186.db2.gz PHLLTNQMWSOTKS-GXSJLCMTSA-N 1 0 223.324 0.374 10 0 BCAERO Cn1nncc1CN1CCCC[C@H]1C[NH3+] ZINC000261587314 135228350 /nfs/dbraw/zinc/22/83/50/135228350.db2.gz RSBNLQNNXKXMIG-VIFPVBQESA-N 1 0 209.297 0.128 10 0 BCAERO CC(C)NC(=O)CN1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261588868 135229108 /nfs/dbraw/zinc/22/91/08/135229108.db2.gz SRUYEKIYTXCDMO-JTQLQIEISA-N 1 0 227.352 0.570 10 0 BCAERO Cc1cnc(CN2CCC[C@H]2C[NH3+])cn1 ZINC000261591086 135231819 /nfs/dbraw/zinc/23/18/19/135231819.db2.gz UYLUQYMXYAJBBB-NSHDSACASA-N 1 0 206.293 0.708 10 0 BCAERO Cc1cc(N2CC[C@@H]3[NH2+]CC[C@H]3C2)ncn1 ZINC000261591979 135232979 /nfs/dbraw/zinc/23/29/79/135232979.db2.gz VPRIEWJEJYXFAQ-QWRGUYRKSA-N 1 0 218.304 0.973 10 0 BCAERO Cc1nn(C)c(C)c1CN1CC[C@H]([NH3+])[C@H]1C ZINC000261594502 135235442 /nfs/dbraw/zinc/23/54/42/135235442.db2.gz XPWXRLBVJUZIBD-PWSUYJOCSA-N 1 0 222.336 0.958 10 0 BCAERO C[C@H]1CCN(C(=O)[C@@H]([NH3+])C2CCOCC2)C1 ZINC000261606587 135237794 /nfs/dbraw/zinc/23/77/94/135237794.db2.gz ASYJNOFCFPELHX-ONGXEEELSA-N 1 0 226.320 0.609 10 0 BCAERO COC(C)(C)C[C@@H](C)NC(=O)C1C[NH2+]C1 ZINC000261547400 135240239 /nfs/dbraw/zinc/24/02/39/135240239.db2.gz MIBLVSOXMDTGPC-MRVPVSSYSA-N 1 0 214.309 0.526 10 0 BCAERO CC1(C)CN(C(=O)[C@H]2CCCOC2)CC[C@@H]1[NH3+] ZINC000261547682 135240695 /nfs/dbraw/zinc/24/06/95/135240695.db2.gz IMMBPHSMDJXRNH-QWRGUYRKSA-N 1 0 240.347 0.999 10 0 BCAERO CC1(C)CN(C(=O)[C@H]2CCCOC2)CC[C@H]1[NH3+] ZINC000261547683 135241183 /nfs/dbraw/zinc/24/11/83/135241183.db2.gz IMMBPHSMDJXRNH-WDEREUQCSA-N 1 0 240.347 0.999 10 0 BCAERO [NH3+][C@H](C(=O)NC1CCCC1)C1CCOCC1 ZINC000261689745 135245646 /nfs/dbraw/zinc/24/56/46/135245646.db2.gz HKMKQNBKPMEVQM-NSHDSACASA-N 1 0 226.320 0.799 10 0 BCAERO C[C@H]1CN(Cc2ccc3c(c2)nnn3C)C[C@H]1[NH3+] ZINC000261690799 135246140 /nfs/dbraw/zinc/24/61/40/135246140.db2.gz AXRUBIWZVJBMMK-GXSJLCMTSA-N 1 0 245.330 0.747 10 0 BCAERO O=C(NCc1ccccc1F)C1C[NH2+]C1 ZINC000084408335 135247795 /nfs/dbraw/zinc/24/77/95/135247795.db2.gz KYUALYHUKHFBFX-UHFFFAOYSA-N 1 0 208.236 0.661 10 0 BCAERO CCCN(CC)C(=O)[C@@H]([NH3+])C1CCOCC1 ZINC000261728885 135248236 /nfs/dbraw/zinc/24/82/36/135248236.db2.gz JTQMYUOAHHIJPT-NSHDSACASA-N 1 0 228.336 0.999 10 0 BCAERO C[NH2+][C@@H](C)CNC(=O)CN(C)Cc1ccccc1 ZINC000261745926 135248913 /nfs/dbraw/zinc/24/89/13/135248913.db2.gz MWGWVEBJJCJNAI-LBPRGKRZSA-N 1 0 249.358 0.843 10 0 BCAERO COC[C@H](C)C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000261761494 135250831 /nfs/dbraw/zinc/25/08/31/135250831.db2.gz JRBJGFOORZJBBW-NSHDSACASA-N 1 0 240.347 0.871 10 0 BCAERO CC[C@H]1CCN(C(=O)[C@H]([NH3+])C2CCOCC2)C1 ZINC000261811523 135254502 /nfs/dbraw/zinc/25/45/02/135254502.db2.gz OSZIXIPLSWTTCI-CMPLNLGQSA-N 1 0 240.347 0.999 10 0 BCAERO Cn1nncc1CN1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261837705 135256181 /nfs/dbraw/zinc/25/61/81/135256181.db2.gz ZLYRVHDIBAYWDL-JTQLQIEISA-N 1 0 223.324 0.374 10 0 BCAERO [NH3+][C@@H]1CCC[C@H]1CC(=O)NC[C@@H]1CCC[C@@H]1O ZINC000261855023 135257653 /nfs/dbraw/zinc/25/76/53/135257653.db2.gz WECHOEYMXPLRAA-YFKTTZPYSA-N 1 0 240.347 0.781 10 0 BCAERO C[C@H]1COC[C@H](C)N1C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261875612 135259139 /nfs/dbraw/zinc/25/91/39/135259139.db2.gz YJEMAZAKXOEIFF-NNYUYHANSA-N 1 0 240.347 0.997 10 0 BCAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000261873113 135259172 /nfs/dbraw/zinc/25/91/72/135259172.db2.gz YCJDSKQOOBFLBK-OOCWMUITSA-N 1 0 238.331 0.798 10 0 BCAERO C[C@H]1CCCN(C(=O)[C@H]([NH3+])C2CCOCC2)C1 ZINC000261881020 135260237 /nfs/dbraw/zinc/26/02/37/135260237.db2.gz UPRGPJDILDHBLU-CMPLNLGQSA-N 1 0 240.347 0.999 10 0 BCAERO CCN(C[C@@H]1CCC[NH2+]C1)[C@H]1CCNC1=O ZINC000261910611 135261404 /nfs/dbraw/zinc/26/14/04/135261404.db2.gz ZQUCWXUIMRVGMZ-MNOVXSKESA-N 1 0 225.336 0.196 10 0 BCAERO CCN(C[C@@H]1CCC[NH2+]C1)[C@@H]1CCNC1=O ZINC000261910609 135261666 /nfs/dbraw/zinc/26/16/66/135261666.db2.gz ZQUCWXUIMRVGMZ-GHMZBOCLSA-N 1 0 225.336 0.196 10 0 BCAERO C[C@H]1CCCN1C(=O)CCN1CC[NH2+]C[C@@H]1C ZINC000261907027 135261975 /nfs/dbraw/zinc/26/19/75/135261975.db2.gz XEHIACMWJXUEEH-RYUDHWBXSA-N 1 0 239.363 0.681 10 0 BCAERO CCN(C)C(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000261920630 135263258 /nfs/dbraw/zinc/26/32/58/135263258.db2.gz KFWRMBSCNXYINJ-MNOVXSKESA-N 1 0 236.319 0.201 10 0 BCAERO O=C(NCC1C[NH2+]C1)c1ccc(C2CC2)cn1 ZINC000261925161 135263364 /nfs/dbraw/zinc/26/33/64/135263364.db2.gz JUHAXDJBQLQOQF-UHFFFAOYSA-N 1 0 231.299 0.908 10 0 BCAERO C[C@@H]1CCN(C[C@@H]2CCC[NH2+]C2)[C@H](C(N)=O)C1 ZINC000261948633 135265449 /nfs/dbraw/zinc/26/54/49/135265449.db2.gz NPXQPWDPPJFLKZ-UTUOFQBUSA-N 1 0 239.363 0.572 10 0 BCAERO C[C@@H]1CCN(C(=O)C2(C[NH3+])CCOCC2)[C@H]1C ZINC000261955629 135265725 /nfs/dbraw/zinc/26/57/25/135265725.db2.gz OVJWTDVIGFJJEC-MNOVXSKESA-N 1 0 240.347 0.999 10 0 BCAERO [NH3+][C@H](CNC(=O)c1cnc(C2CC2)[nH]1)C1CC1 ZINC000261961919 135267222 /nfs/dbraw/zinc/26/72/22/135267222.db2.gz RZVKHFKWEQJTOI-SECBINFHSA-N 1 0 234.303 0.754 10 0 BCAERO CCn1c(C)nnc1CN1C[C@H](C[NH3+])C[C@@H]1C ZINC000261973062 135268075 /nfs/dbraw/zinc/26/80/75/135268075.db2.gz DVPXIPGVGMBWSJ-ONGXEEELSA-N 1 0 237.351 0.776 10 0 BCAERO [NH3+][C@@H](C(=O)Nc1cn[nH]c1)C1CCOCC1 ZINC000262006382 135272175 /nfs/dbraw/zinc/27/21/75/135272175.db2.gz NVECZXDUJWOEJW-SECBINFHSA-N 1 0 224.264 0.102 10 0 BCAERO C[C@@H]1CN(S(=O)(=O)CC2CCCC2)C[C@@H]1[NH3+] ZINC000262018349 135273203 /nfs/dbraw/zinc/27/32/03/135273203.db2.gz IHZCUBJLANSELH-KOLCDFICSA-N 1 0 246.376 0.785 10 0 BCAERO COC[C@@H]([NH3+])C(=O)Nc1cc2n[nH]cc2cc1C ZINC000262033674 135274943 /nfs/dbraw/zinc/27/49/43/135274943.db2.gz FGUXFYRXTAMDAG-SECBINFHSA-N 1 0 248.286 0.784 10 0 BCAERO O=C(NC[C@H]1C[NH2+]C[C@H]1O)c1cccc(F)c1 ZINC000262076871 135277678 /nfs/dbraw/zinc/27/76/78/135277678.db2.gz CDDADWFBCGLYLI-MWLCHTKSSA-N 1 0 238.262 0.136 10 0 BCAERO Cc1ccc(C)c(C(=O)NC[C@H]2C[NH2+]C[C@@H]2O)c1 ZINC000262115512 135279263 /nfs/dbraw/zinc/27/92/63/135279263.db2.gz FPHDXFHHFSILCV-YPMHNXCESA-N 1 0 248.326 0.614 10 0 BCAERO CN(C)c1ccccc1CNC[C@@H]1C[NH2+]C[C@@H]1O ZINC000262113492 135279515 /nfs/dbraw/zinc/27/95/15/135279515.db2.gz KUOWPKMVNUYTBB-OCCSQVGLSA-N 1 0 249.358 0.423 10 0 BCAERO C[C@H]1CCC[C@H]1NC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000262133898 135280399 /nfs/dbraw/zinc/28/03/99/135280399.db2.gz OIQHWHQHDMAGAF-SGIHWFKDSA-N 1 0 212.293 0.014 10 0 BCAERO CCc1ncc(CNC[C@H]2C[NH2+]C[C@@H]2O)s1 ZINC000262150120 135282193 /nfs/dbraw/zinc/28/21/93/135282193.db2.gz RCEGXEFEDJKGNN-WPRPVWTQSA-N 1 0 241.360 0.375 10 0 BCAERO C[C@H]([NH3+])C(=O)N1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000262162664 135282685 /nfs/dbraw/zinc/28/26/85/135282685.db2.gz VKBUGEMGZUMGNJ-GARJFASQSA-N 1 0 236.319 0.640 10 0 BCAERO C[C@H](CCO)C1(CNC(=O)[C@H](C)[NH3+])CCC1 ZINC000262174248 135284127 /nfs/dbraw/zinc/28/41/27/135284127.db2.gz XYVUJQPMTGGFLT-ZJUUUORDSA-N 1 0 228.336 0.639 10 0 BCAERO C[C@@H]1CCC[C@@H]1NC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000262187327 135284462 /nfs/dbraw/zinc/28/44/62/135284462.db2.gz XSOMWLGQAZEHGM-XFWSIPNHSA-N 1 0 214.284 0.991 10 0 BCAERO C[C@H]1CCC[C@@H]1NC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000262187315 135284597 /nfs/dbraw/zinc/28/45/97/135284597.db2.gz XSOMWLGQAZEHGM-AATLWQCWSA-N 1 0 214.284 0.991 10 0 BCAERO COC[C@H]([NH3+])C(=O)N1CCS[C@@H](C(C)C)C1 ZINC000262246216 135287635 /nfs/dbraw/zinc/28/76/35/135287635.db2.gz IFFYLARCEHYYNL-VHSXEESVSA-N 1 0 246.376 0.560 10 0 BCAERO Cc1cc(C(=O)NC[C@H]2C[NH2+]C[C@H]2O)c(C)o1 ZINC000262253855 135288360 /nfs/dbraw/zinc/28/83/60/135288360.db2.gz LSZBVCCSQCWQTM-MWLCHTKSSA-N 1 0 238.287 0.207 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)N1CCN(C2CCC2)CC1 ZINC000262261264 135288405 /nfs/dbraw/zinc/28/84/05/135288405.db2.gz RHEILMKVYQLWIW-GFCCVEGCSA-N 1 0 239.363 0.811 10 0 BCAERO CCC[C@H]1CCCN(C(=O)[C@@H]([NH3+])COC)C1 ZINC000262288130 135290717 /nfs/dbraw/zinc/29/07/17/135290717.db2.gz MPCHFSXBUUWQAP-QWRGUYRKSA-N 1 0 228.336 0.999 10 0 BCAERO CN(C(=O)CN[C@H]1CC[NH2+]C1)C1CCCCC1 ZINC000262211932 135290723 /nfs/dbraw/zinc/29/07/23/135290723.db2.gz TVYULBDJXKEJPB-NSHDSACASA-N 1 0 239.363 0.729 10 0 BCAERO COC[C@H]([NH3+])C(=O)N[C@H]1CCO[C@@H](C(C)C)C1 ZINC000262289151 135290790 /nfs/dbraw/zinc/29/07/90/135290790.db2.gz MSVHIABQUVZMTR-GARJFASQSA-N 1 0 244.335 0.280 10 0 BCAERO Cc1ccc(CC(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)cc1 ZINC000262305115 135292069 /nfs/dbraw/zinc/29/20/69/135292069.db2.gz PZXDTWHRPKDHEQ-STQMWFEESA-N 1 0 248.326 0.234 10 0 BCAERO Cc1ccc(CC(=O)NC[C@H]2C[NH2+]C[C@@H]2O)cc1 ZINC000262305103 135292356 /nfs/dbraw/zinc/29/23/56/135292356.db2.gz PZXDTWHRPKDHEQ-OLZOCXBDSA-N 1 0 248.326 0.234 10 0 BCAERO COC[C@H]([NH3+])C(=O)N[C@H]1C[C@](C)(OC)C1(C)C ZINC000262329295 135293177 /nfs/dbraw/zinc/29/31/77/135293177.db2.gz RKEFRYOHKJKIMT-AUTRQRHGSA-N 1 0 244.335 0.280 10 0 BCAERO COC[C@H]([NH3+])C(=O)N[C@@H]1C[C@@](C)(OC)C1(C)C ZINC000262329298 135293208 /nfs/dbraw/zinc/29/32/08/135293208.db2.gz RKEFRYOHKJKIMT-YGOYTEALSA-N 1 0 244.335 0.280 10 0 BCAERO CC[C@@H]1CN(C(=O)[C@H]2CC[NH2+][C@@H](C)C2)C[C@@H]1O ZINC000262328797 135293347 /nfs/dbraw/zinc/29/33/47/135293347.db2.gz DRLSJTHMGXHHBX-USZNOCQGSA-N 1 0 240.347 0.604 10 0 BCAERO COC[C@H]([NH3+])C(=O)NCc1nc(C)c(C)s1 ZINC000262334278 135293903 /nfs/dbraw/zinc/29/39/03/135293903.db2.gz RYRXKRIFJNGSNZ-QMMMGPOBSA-N 1 0 243.332 0.350 10 0 BCAERO CC[C@H](C)[C@@H]([NH3+])C(=O)NCc1nccc(N)n1 ZINC000262333153 135294078 /nfs/dbraw/zinc/29/40/78/135294078.db2.gz WEICCXCRRLZPND-OIBJUYFYSA-N 1 0 237.307 0.048 10 0 BCAERO Cc1cc(C)cc(C(=O)NC[C@@H]2C[NH2+]C[C@H]2O)c1 ZINC000262419688 135296021 /nfs/dbraw/zinc/29/60/21/135296021.db2.gz ZZRSMNDYSSUASP-QWHCGFSZSA-N 1 0 248.326 0.614 10 0 BCAERO C[C@@H]1CC[C@H](CC(=O)NC[C@H]2C[NH2+]C[C@@H]2O)C1 ZINC000262372663 135297480 /nfs/dbraw/zinc/29/74/80/135297480.db2.gz WIHBHPCUYBELKQ-KXNHARMFSA-N 1 0 240.347 0.509 10 0 BCAERO COC[C@H]([NH3+])C(=O)Nc1scnc1C1CC1 ZINC000262380798 135297489 /nfs/dbraw/zinc/29/74/89/135297489.db2.gz XWXIKFAZRHWOER-ZETCQYMHSA-N 1 0 241.316 0.933 10 0 BCAERO COC[C@@H]([NH3+])C(=O)NCC1Cc2ccccc2C1 ZINC000262380114 135297494 /nfs/dbraw/zinc/29/74/94/135297494.db2.gz XSWGAJVYGREJAU-CYBMUJFWSA-N 1 0 248.326 0.491 10 0 BCAERO COC[C@H]([NH3+])C(=O)Nc1ccnc(N(C)C)c1 ZINC000262367741 135297575 /nfs/dbraw/zinc/29/75/75/135297575.db2.gz LHHJOKHGWHQGOO-VIFPVBQESA-N 1 0 238.291 0.060 10 0 BCAERO C[C@H](CO)[C@H](C)NC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000262384518 135298301 /nfs/dbraw/zinc/29/83/01/135298301.db2.gz LYCWTILHAMOMKB-RCWTZXSCSA-N 1 0 228.336 0.508 10 0 BCAERO CC(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@H](C)C[NH3+] ZINC000262395971 135298303 /nfs/dbraw/zinc/29/83/03/135298303.db2.gz OTVLXYCXJVDUIY-MXWKQRLJSA-N 1 0 228.336 0.759 10 0 BCAERO COC[C@@H]([NH3+])C(=O)NCCc1sccc1C ZINC000262384373 135299026 /nfs/dbraw/zinc/29/90/26/135299026.db2.gz YGDYUMIARMLZJK-SECBINFHSA-N 1 0 242.344 0.689 10 0 BCAERO COC[C@H]([NH3+])C(=O)Nc1cnccc1OC ZINC000262470521 135301110 /nfs/dbraw/zinc/30/11/10/135301110.db2.gz YGKGXVHSYFUNCA-ZETCQYMHSA-N 1 0 225.248 0.002 10 0 BCAERO CCOC(=O)C(C)(C)NC(=O)[C@H](C)C1C[NH2+]C1 ZINC000262517837 135303872 /nfs/dbraw/zinc/30/38/72/135303872.db2.gz KJOLVOKGBJEECB-MRVPVSSYSA-N 1 0 242.319 0.300 10 0 BCAERO Cc1ncc(NC(=O)[C@@H](C)C2C[NH2+]C2)cn1 ZINC000262554110 135305578 /nfs/dbraw/zinc/30/55/78/135305578.db2.gz PEBDGJXYCZWFKN-ZETCQYMHSA-N 1 0 220.276 0.579 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)NC[C@H](C)CC(=O)OCC ZINC000262596077 135308042 /nfs/dbraw/zinc/30/80/42/135308042.db2.gz WRUSJMOPRZJCDB-NXEZZACHSA-N 1 0 244.335 0.819 10 0 BCAERO C[NH2+]CC(=O)N[C@H]1CCO[C@H](C(C)(C)C)C1 ZINC000262776156 135317964 /nfs/dbraw/zinc/31/79/64/135317964.db2.gz NPYDKVXMUDQSBQ-UWVGGRQHSA-N 1 0 228.336 0.916 10 0 BCAERO C[NH2+]CC(=O)N1CCC(C2(C)OCCO2)CC1 ZINC000262798817 135318976 /nfs/dbraw/zinc/31/89/76/135318976.db2.gz UTFLYBLGBHTYDD-UHFFFAOYSA-N 1 0 242.319 0.207 10 0 BCAERO Cc1nnc2c(N3CCCC[C@H]3C[NH3+])nccn12 ZINC000079471102 135322462 /nfs/dbraw/zinc/32/24/62/135322462.db2.gz VMLAOPKJMNQDRG-JTQLQIEISA-N 1 0 246.318 0.750 10 0 BCAERO Cc1noc([C@H](C)N2CCN(CC[NH3+])CC2)n1 ZINC000263005322 135326887 /nfs/dbraw/zinc/32/68/87/135326887.db2.gz PGIXVDRRAKJELV-VIFPVBQESA-N 1 0 239.323 0.015 10 0 BCAERO CSCCc1nc([C@@H]2C[NH2+]CCN2C)no1 ZINC000263129354 135335108 /nfs/dbraw/zinc/33/51/08/135335108.db2.gz BMGOGMHIBLTIRK-QMMMGPOBSA-N 1 0 242.348 0.551 10 0 BCAERO CN1CC[NH2+]C[C@H]1c1noc(-c2ccco2)n1 ZINC000263178895 135338229 /nfs/dbraw/zinc/33/82/29/135338229.db2.gz GLUVAZGFSARRLC-QMMMGPOBSA-N 1 0 234.259 0.906 10 0 BCAERO CN1CC[NH2+]C[C@H]1c1noc(C2(C)CC2)n1 ZINC000263194714 135338633 /nfs/dbraw/zinc/33/86/33/135338633.db2.gz IHMYFMGCUYFLIT-QMMMGPOBSA-N 1 0 222.292 0.697 10 0 BCAERO CN1CC[NH2+]C[C@H]1c1noc(-c2ccncc2)n1 ZINC000263202281 135339656 /nfs/dbraw/zinc/33/96/56/135339656.db2.gz JEZIQYHAJZWUES-JTQLQIEISA-N 1 0 245.286 0.708 10 0 BCAERO Cc1ccc(F)c(CNC[C@H]2C[NH2+]C[C@H]2O)c1 ZINC000263229876 135340784 /nfs/dbraw/zinc/34/07/84/135340784.db2.gz NIALJYMRLHUUAO-WCQYABFASA-N 1 0 238.306 0.804 10 0 BCAERO O[C@H]1C[NH2+]C[C@@H]1CNC/C=C/c1ccccc1 ZINC000263242351 135341524 /nfs/dbraw/zinc/34/15/24/135341524.db2.gz OTRXARVXCOVGFO-SZBGIYDQSA-N 1 0 232.327 0.870 10 0 BCAERO O[C@@H]1C[NH2+]C[C@H]1CNC/C=C/c1ccccc1 ZINC000263242348 135341779 /nfs/dbraw/zinc/34/17/79/135341779.db2.gz OTRXARVXCOVGFO-HMJDLUCASA-N 1 0 232.327 0.870 10 0 BCAERO Cc1ccc(F)cc1CNC[C@H]1C[NH2+]C[C@@H]1O ZINC000263264771 135343749 /nfs/dbraw/zinc/34/37/49/135343749.db2.gz RLSQGYGAEXOEHJ-AAEUAGOBSA-N 1 0 238.306 0.804 10 0 BCAERO O=C(NC[C@H](O)C1CCCCC1)C1C[NH2+]C1 ZINC000263265565 135343778 /nfs/dbraw/zinc/34/37/78/135343778.db2.gz HGYVTPRGJSUBLS-NSHDSACASA-N 1 0 226.320 0.263 10 0 BCAERO COCCC1(CNC(=O)C2C[NH2+]C2)CCC1 ZINC000263278828 135344075 /nfs/dbraw/zinc/34/40/75/135344075.db2.gz JHNCFILIMFDADN-UHFFFAOYSA-N 1 0 226.320 0.529 10 0 BCAERO CC(C)C[C@H]1C[C@@H](NC(=O)C2C[NH2+]C2)CCO1 ZINC000263286672 135344710 /nfs/dbraw/zinc/34/47/10/135344710.db2.gz KSUYANXHJLHUDW-RYUDHWBXSA-N 1 0 240.347 0.916 10 0 BCAERO COC(=O)C1(NC(=O)C2C[NH2+]C2)CCCCC1 ZINC000263295944 135344999 /nfs/dbraw/zinc/34/49/99/135344999.db2.gz MIRMTAIPEMMHHW-UHFFFAOYSA-N 1 0 240.303 0.198 10 0 BCAERO Cc1cc(F)ccc1CNC[C@@H]1C[NH2+]C[C@@H]1O ZINC000263313362 135345662 /nfs/dbraw/zinc/34/56/62/135345662.db2.gz ZCBPDCJGIXVBRR-YPMHNXCESA-N 1 0 238.306 0.804 10 0 BCAERO Cc1cc(F)ccc1CNC[C@@H]1C[NH2+]C[C@H]1O ZINC000263313359 135345985 /nfs/dbraw/zinc/34/59/85/135345985.db2.gz ZCBPDCJGIXVBRR-DGCLKSJQSA-N 1 0 238.306 0.804 10 0 BCAERO O=C(NCCCc1ccccn1)C1C[NH2+]C1 ZINC000263309798 135346108 /nfs/dbraw/zinc/34/61/08/135346108.db2.gz OZXMSFCEVVEJND-UHFFFAOYSA-N 1 0 219.288 0.350 10 0 BCAERO O[C@@H]1C[NH2+]C[C@@H]1CNCc1cc(F)cc(F)c1 ZINC000263315479 135346187 /nfs/dbraw/zinc/34/61/87/135346187.db2.gz ZJIMBJDLRBYXNE-JOYOIKCWSA-N 1 0 242.269 0.635 10 0 BCAERO C[C@H](NC(=O)C1C[NH2+]C1)C(=O)Nc1ccccc1 ZINC000263348445 135348522 /nfs/dbraw/zinc/34/85/22/135348522.db2.gz ZYNYNQGGNPBNRC-VIFPVBQESA-N 1 0 247.298 0.349 10 0 BCAERO COC(=O)[C@@H](C)NC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)[C@@H]1[NH3+] ZINC000079533674 135397127 /nfs/dbraw/zinc/39/71/27/135397127.db2.gz WRCGUYAZVVBFFZ-SPFKKGSWSA-N 1 0 240.303 0.038 10 0 BCAERO CCCN(c1nccn2cnnc12)[C@H]1CC[NH2+]C1 ZINC000079471441 135397354 /nfs/dbraw/zinc/39/73/54/135397354.db2.gz BVCBDKKZIYHYED-JTQLQIEISA-N 1 0 246.318 0.703 10 0 BCAERO [NH3+]Cc1ccc(C(=O)N[C@@H]2CCC(=O)NC2)cc1 ZINC000082284247 135433545 /nfs/dbraw/zinc/43/35/45/135433545.db2.gz DVNLZGJAEAAZPD-LLVKDONJSA-N 1 0 247.298 0.154 10 0 BCAERO CC(C)C[C@@H](C[NH3+])Nc1nccn2cnnc12 ZINC000083735492 135455590 /nfs/dbraw/zinc/45/55/90/135455590.db2.gz UUIPWRLLFBZIAP-VIFPVBQESA-N 1 0 234.307 0.910 10 0 BCAERO O=C(C1C[NH2+]C1)N(C[C@H]1CCOC1)C1CC1 ZINC000084410324 135471685 /nfs/dbraw/zinc/47/16/85/135471685.db2.gz PYAKVHMEZZROHW-SECBINFHSA-N 1 0 224.304 0.233 10 0 BCAERO Cn1cc(CNC(=O)[C@H]2CC[C@H]([NH3+])C2)cn1 ZINC000085012009 135478371 /nfs/dbraw/zinc/47/83/71/135478371.db2.gz SAONZVQHNSLKHM-UWVGGRQHSA-N 1 0 222.292 0.164 10 0 BCAERO CC(C)Oc1cc(N(C)C2C[NH2+]C2)ncn1 ZINC000085483456 135484953 /nfs/dbraw/zinc/48/49/53/135484953.db2.gz NSJZPAYLVDRIAW-UHFFFAOYSA-N 1 0 222.292 0.672 10 0 BCAERO COc1cc(NC[C@@H]([NH3+])C2CC2)ncn1 ZINC000085482395 135485553 /nfs/dbraw/zinc/48/55/53/135485553.db2.gz MUFXZYBALXSLDF-MRVPVSSYSA-N 1 0 208.265 0.634 10 0 BCAERO C[C@]1(CNC(=O)[C@@H]2CC[NH2+]C2)CCCO1 ZINC000087254149 135504144 /nfs/dbraw/zinc/50/41/44/135504144.db2.gz WRKQYCDUHAEJTR-MWLCHTKSSA-N 1 0 212.293 0.281 10 0 BCAERO C[C@@H](C(=O)NC[C@H]1CC[NH2+]C1)n1cccn1 ZINC000087654779 135510286 /nfs/dbraw/zinc/51/02/86/135510286.db2.gz XTVMDJXJLPGBOF-UWVGGRQHSA-N 1 0 222.292 0.170 10 0 BCAERO O=S(=O)(NC[C@H]1CC[NH2+]C1)c1ccsc1 ZINC000334967791 135853455 /nfs/dbraw/zinc/85/34/55/135853455.db2.gz JWYDXXKGBUNOAC-QMMMGPOBSA-N 1 0 246.357 0.636 10 0 BCAERO CCc1noc(C)c1C(=O)N1C[C@H](C)[C@H]([NH3+])C1 ZINC000335379296 136087170 /nfs/dbraw/zinc/08/71/70/136087170.db2.gz INCADWUIOGSWDZ-IONNQARKSA-N 1 0 237.303 0.965 10 0 BCAERO COC[C@@H](O)C[N@@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000178872339 397850909 /nfs/dbraw/zinc/85/09/09/397850909.db2.gz JHYWUSFFPPEVCV-NWDGAFQWSA-N 1 0 239.319 0.944 10 0 BCAERO C[C@@H]1C[C@@H](O)C[N@@H+]1C[C@@H]1CCOCO1 ZINC000306635561 397964812 /nfs/dbraw/zinc/96/48/12/397964812.db2.gz LIEYDZCWSNPCQX-BBBLOLIVSA-N 1 0 201.266 0.205 10 0 BCAERO O=S1(=O)CC[C@@H]([NH2+][C@@H]2C=CCC2)C1 ZINC000575462110 397943249 /nfs/dbraw/zinc/94/32/49/397943249.db2.gz KNRRKKWGEMBPEO-RKDXNWHRSA-N 1 0 201.291 0.482 10 0 BCAERO COc1ncc([C@H]2COC[C@@H]2[NH3+])s1 ZINC000575464577 397950532 /nfs/dbraw/zinc/95/05/32/397950532.db2.gz QBFJKQZNHXOJKP-WDSKDSINSA-N 1 0 200.263 0.593 10 0 BCAERO Cn1ncc(NCC(=[NH2+])NO)c1Br ZINC000575465262 397950663 /nfs/dbraw/zinc/95/06/63/397950663.db2.gz QFFWQJJILLVMGZ-UHFFFAOYSA-N 1 0 248.084 0.551 10 0 BCAERO CS[C@@H]1C[NH2+]C[C@@H]1N1CC[C@@H](F)C1 ZINC000575472201 397954386 /nfs/dbraw/zinc/95/43/86/397954386.db2.gz JFYPWLAUBJDJBS-HRDYMLBCSA-N 1 0 204.314 0.734 10 0 BCAERO O=C(CC[C@H]1CCC[NH2+]1)NCc1c[nH]cn1 ZINC000390606926 397897118 /nfs/dbraw/zinc/89/71/18/397897118.db2.gz CYALOTTYPWZWNJ-SECBINFHSA-N 1 0 222.292 0.558 10 0 BCAERO CC(C)C[C@H](C[NH3+])Nc1ccnc(C(N)=O)c1 ZINC000111377199 397905892 /nfs/dbraw/zinc/90/58/92/397905892.db2.gz AOQOXISRWLTMPB-SNVBAGLBSA-N 1 0 236.319 0.966 10 0 BCAERO CO[C@@H](C[NH2+]C[C@H]1CN(C)CCO1)C1CC1 ZINC000382171171 397916948 /nfs/dbraw/zinc/91/69/48/397916948.db2.gz WKPUQOQCJYVDPZ-RYUDHWBXSA-N 1 0 228.336 0.332 10 0 BCAERO CS(=O)(=O)N1c2ccccc2NC[C@@H]1C[NH3+] ZINC000616683976 397925970 /nfs/dbraw/zinc/92/59/70/397925970.db2.gz KKFWBSFFXARPAX-QMMMGPOBSA-N 1 0 241.316 0.205 10 0 BCAERO Cc1noc2ncnc(N(C)[C@H](C)C[NH3+])c12 ZINC000382982337 397994105 /nfs/dbraw/zinc/99/41/05/397994105.db2.gz WVQVTYSTNZZEAY-ZCFIWIBFSA-N 1 0 221.264 0.710 10 0 BCAERO CC(C)OCC(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000165004785 398001630 /nfs/dbraw/zinc/00/16/30/398001630.db2.gz PUMBZLKYBRVHLY-UWVGGRQHSA-N 1 0 214.309 0.668 10 0 BCAERO [NH3+][C@@]1(c2ccsc2)CCS(=O)(=O)C1 ZINC000575470288 398002863 /nfs/dbraw/zinc/00/28/63/398002863.db2.gz WYBXOOPSNGGKCZ-QMMMGPOBSA-N 1 0 217.315 0.721 10 0 BCAERO [NH3+]C[C@]1(Cc2csnn2)CCC[C@H]1O ZINC000307176617 398005818 /nfs/dbraw/zinc/00/58/18/398005818.db2.gz YNCBQUXWYBJRBC-RKDXNWHRSA-N 1 0 213.306 0.571 10 0 BCAERO CC(C)(C)[C@@H](O)C[NH2+][C@H]1CCC[C@@H]1O ZINC000324379496 398018962 /nfs/dbraw/zinc/01/89/62/398018962.db2.gz WAFVANPKTAFKEW-GUBZILKMSA-N 1 0 201.310 0.896 10 0 BCAERO C[C@@H]1CN(C(=O)C2CC(F)(F)C2)C[C@@H]1[NH3+] ZINC000383447292 398021173 /nfs/dbraw/zinc/02/11/73/398021173.db2.gz LMTGYPVJHLRZNO-SVRRBLITSA-N 1 0 218.247 0.837 10 0 BCAERO C[NH2+][C@H](C)C(=O)Nc1cccc(-n2cnnn2)c1 ZINC000054073258 398025261 /nfs/dbraw/zinc/02/52/61/398025261.db2.gz ZMIUHNOFZNMEDD-MRVPVSSYSA-N 1 0 246.274 0.209 10 0 BCAERO CCc1noc(CN2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)n1 ZINC000383693717 398033642 /nfs/dbraw/zinc/03/36/42/398033642.db2.gz QYJKMVKFAZHNQM-IVZWLZJFSA-N 1 0 236.319 0.801 10 0 BCAERO C[C@H]1CCN(C(=O)[C@@H]2C[NH2+]CCOC2)C1 ZINC000643657379 398038048 /nfs/dbraw/zinc/03/80/48/398038048.db2.gz LHBLRDGFCNTROP-VHSXEESVSA-N 1 0 212.293 0.091 10 0 BCAERO Cn1nccc1C[NH2+]C[C@H]1CCC[C@H]1O ZINC000084230754 398039190 /nfs/dbraw/zinc/03/91/90/398039190.db2.gz OUVRERVFCPTFRW-MWLCHTKSSA-N 1 0 209.293 0.671 10 0 BCAERO Cc1nnsc1C[C@]1([NH3+])CCO[C@@H]1C ZINC000307142463 397988623 /nfs/dbraw/zinc/98/86/23/397988623.db2.gz DXSJPNGCOJTEPS-VXNVDRBHSA-N 1 0 213.306 0.895 10 0 BCAERO CN(C[C@@H]1CCOC1)C(=O)C[C@H]1CCC[NH2+]C1 ZINC000398827031 398063053 /nfs/dbraw/zinc/06/30/53/398063053.db2.gz GDTCZKNFLBXEIG-NEPJUHHUSA-N 1 0 240.347 0.871 10 0 BCAERO C[C@H](C(N)=S)[N@H+](C)[C@H]1CCN(C)C1 ZINC000307316952 398077248 /nfs/dbraw/zinc/07/72/48/398077248.db2.gz NZTONSNVKMFLFB-SFYZADRCSA-N 1 0 201.339 0.297 10 0 BCAERO CCN1CC[C@H]([NH2+]C[C@](C)(O)C(F)(F)F)C1 ZINC000389398873 398080598 /nfs/dbraw/zinc/08/05/98/398080598.db2.gz KGCXOOHDITZTBT-IUCAKERBSA-N 1 0 240.269 0.984 10 0 BCAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N[C@@H]1CCC[C@@H](O)C1 ZINC000384293206 398081693 /nfs/dbraw/zinc/08/16/93/398081693.db2.gz WNDJCBPMPZSAQC-QCNOEVLYSA-N 1 0 240.347 0.794 10 0 BCAERO CC[C@H]([NH2+]C[C@@H]1CNC(=O)O1)[C@H]1CCCO1 ZINC000310037415 398052838 /nfs/dbraw/zinc/05/28/38/398052838.db2.gz VCIWSRYTDGNSBQ-KXUCPTDWSA-N 1 0 228.292 0.642 10 0 BCAERO CC[C@@H]1C[N@H+](C[C@@](C)(O)CC)C[C@@H]1O ZINC000400031191 398057834 /nfs/dbraw/zinc/05/78/34/398057834.db2.gz HJEMIILRDWSSOF-VWYCJHECSA-N 1 0 201.310 0.850 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N[C@@H]1C[C@@H](C)O[C@@H]1C ZINC000384617753 398099840 /nfs/dbraw/zinc/09/98/40/398099840.db2.gz PPDSTKVHMHIQSB-DOLQZWNJSA-N 1 0 214.309 0.796 10 0 BCAERO CC(C)(C)OC(=O)NC[C@H]1[C@H]2C[NH2+]C[C@@H]12 ZINC000242543358 398109822 /nfs/dbraw/zinc/10/98/22/398109822.db2.gz JXWGBEYMMHSBFU-AYMMMOKOSA-N 1 0 212.293 0.977 10 0 BCAERO C[NH2+]CCOCCNc1cc(OC)ncn1 ZINC000630531454 398131611 /nfs/dbraw/zinc/13/16/11/398131611.db2.gz WXIWSGJPJVXWQJ-UHFFFAOYSA-N 1 0 226.280 0.133 10 0 BCAERO Cc1ccnc(NC(=O)[C@H]2C[NH2+]CCOC2)c1 ZINC000649275489 398133825 /nfs/dbraw/zinc/13/38/25/398133825.db2.gz DFHMHQMVYAQDRD-JTQLQIEISA-N 1 0 235.287 0.565 10 0 BCAERO COC[C@]1(C(=O)Nc2ccncc2)CCC[NH2+]1 ZINC000649275569 398134445 /nfs/dbraw/zinc/13/44/45/398134445.db2.gz OMDLMBAUMHTFEL-LBPRGKRZSA-N 1 0 235.287 0.211 10 0 BCAERO CC(C)NC(=O)C[N@H+](C)[C@H]1CCC[C@H]1O ZINC000352673522 167049106 /nfs/dbraw/zinc/04/91/06/167049106.db2.gz NURPZZLGVYDWDS-VHSXEESVSA-N 1 0 214.309 0.356 10 0 BCAERO CC(C)NC(=O)CNC(=O)[C@@H]1CCC[C@@H](C)[NH2+]1 ZINC000036782038 167056860 /nfs/dbraw/zinc/05/68/60/167056860.db2.gz XUALAWHWCIDLJA-ZJUUUORDSA-N 1 0 241.335 0.158 10 0 BCAERO CC(C)NC(=O)C[NH2+][C@@H](C)C(=O)N1CCCC1 ZINC000035140968 167059273 /nfs/dbraw/zinc/05/92/73/167059273.db2.gz KHDQRSGOPJSKGA-JTQLQIEISA-N 1 0 241.335 0.112 10 0 BCAERO CC(C)[NH2+]CC1(S(C)(=O)=O)CCOCC1 ZINC000053737747 167099184 /nfs/dbraw/zinc/09/91/84/167099184.db2.gz HJCJNZSYEPFUFS-UHFFFAOYSA-N 1 0 235.349 0.578 10 0 BCAERO COC[C@H](C)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000186824488 174527478 /nfs/dbraw/zinc/52/74/78/174527478.db2.gz KBLDKIICRGLWLS-LPEHRKFASA-N 1 0 214.309 0.383 10 0 BCAERO C[C@@H](C[NH3+])N(C)c1cc(NC2CC2)ncn1 ZINC000258766257 322877068 /nfs/dbraw/zinc/87/70/68/322877068.db2.gz QAKQBMJLFHWTCT-QMMMGPOBSA-N 1 0 221.308 0.834 10 0 BCAERO CC(C)[NH2+]C[C@H](O)CN1C(=O)CCCCC1=O ZINC000035327923 167115308 /nfs/dbraw/zinc/11/53/08/167115308.db2.gz BBPDAQIFUWSCIT-JTQLQIEISA-N 1 0 242.319 0.275 10 0 BCAERO CSCCC(=O)N1CCC[C@H]([NH3+])C1 ZINC000041028307 175466219 /nfs/dbraw/zinc/46/62/19/175466219.db2.gz NDCAJGUMCCKEHG-QMMMGPOBSA-N 1 0 202.323 0.689 10 0 BCAERO C[C@H]1NC(=O)CC[C@H]1[NH2+]CCc1ccnn1C ZINC000392930717 487557989 /nfs/dbraw/zinc/55/79/89/487557989.db2.gz KDKONCJYEHQDIJ-MWLCHTKSSA-N 1 0 236.319 0.219 10 0 BCAERO C[C@H]1NC(=O)CC[C@@H]1[NH2+][C@@H]1CCC[C@H]1O ZINC000392958849 487558259 /nfs/dbraw/zinc/55/82/59/487558259.db2.gz IBDLRBOLHYHTBN-UTINFBMNSA-N 1 0 212.293 0.157 10 0 BCAERO CCCCOC[C@H](O)C[NH2+]CC1CC(O)C1 ZINC000227893968 487562639 /nfs/dbraw/zinc/56/26/39/487562639.db2.gz ATZQCRRUBHRVQP-HTAVTVPLSA-N 1 0 231.336 0.525 10 0 BCAERO CCCCOC[C@@H](O)C[NH2+]CC[C@H](C)O ZINC000227893415 487562717 /nfs/dbraw/zinc/56/27/17/487562717.db2.gz BDGLLJNDHRVGHS-QWRGUYRKSA-N 1 0 219.325 0.525 10 0 BCAERO Cc1c[nH]nc1CNC1CC[NH+](CCO)CC1 ZINC000685615271 487564475 /nfs/dbraw/zinc/56/44/75/487564475.db2.gz BWBZVVLHGKLMOW-UHFFFAOYSA-N 1 0 238.335 0.264 10 0 BCAERO CCCCOC[C@H](O)Cn1cc(C[NH2+]C)nn1 ZINC000227913615 487565930 /nfs/dbraw/zinc/56/59/30/487565930.db2.gz YDUXTHGAEDGLML-LLVKDONJSA-N 1 0 242.323 0.175 10 0 BCAERO CNC(=O)c1ccc(NC2CC[NH2+]CC2)nn1 ZINC000095012802 487566354 /nfs/dbraw/zinc/56/63/54/487566354.db2.gz GWSUFPARWRFBJG-UHFFFAOYSA-N 1 0 235.291 0.000 10 0 BCAERO COCCOC[C@@H](O)C[NH2+]C[C@H](O)C(C)(C)C ZINC000324279926 487567692 /nfs/dbraw/zinc/56/76/92/487567692.db2.gz OHRHQDWPUDPBLY-QWRGUYRKSA-N 1 0 249.351 0.007 10 0 BCAERO COCC[NH2+][C@H](CO)c1cccc(OC)c1 ZINC000053291910 487568508 /nfs/dbraw/zinc/56/85/08/487568508.db2.gz LVJFXCRUHCGBPG-GFCCVEGCSA-N 1 0 225.288 0.965 10 0 BCAERO CCOC(=O)C[N@@H+]1CCC[C@H]1CCCO ZINC000052760830 487569700 /nfs/dbraw/zinc/56/97/00/487569700.db2.gz KXRMHXZBUJUGTM-JTQLQIEISA-N 1 0 215.293 0.786 10 0 BCAERO C[C@H](O)CCNC(=O)CC1([NH3+])CCC1 ZINC000086853699 487570130 /nfs/dbraw/zinc/57/01/30/487570130.db2.gz ZQFNZRQSNQSPLV-QMMMGPOBSA-N 1 0 200.282 0.145 10 0 BCAERO CC(C)([NH3+])CC(=O)NC[C@H](O)C(C)(C)C ZINC000324319917 487573737 /nfs/dbraw/zinc/57/37/37/487573737.db2.gz HGZCDUJZAXTFJM-QMMMGPOBSA-N 1 0 216.325 0.637 10 0 BCAERO CC1(C)C[N@@H+]([C@@H]2CCC[C@H]2O)CC[C@H]1O ZINC000308913561 487582197 /nfs/dbraw/zinc/58/21/97/487582197.db2.gz XKWIXEOWDDEABH-GMTAPVOTSA-N 1 0 213.321 0.993 10 0 BCAERO C[NH2+]CCC(=O)NC[C@@H](O)C(C)(C)C ZINC000324371935 487583955 /nfs/dbraw/zinc/58/39/55/487583955.db2.gz UHCKFEBUZKZOJJ-MRVPVSSYSA-N 1 0 202.298 0.119 10 0 BCAERO CC(C)(C)[C@@H](O)CNC(=O)CC[NH2+]C1CC1 ZINC000324369757 487584134 /nfs/dbraw/zinc/58/41/34/487584134.db2.gz TUQJZGVLDMRXJX-JTQLQIEISA-N 1 0 228.336 0.652 10 0 BCAERO CC(C)OCCO[C@@H](C)C(=O)N1CC[NH2+]CC1 ZINC000019486548 167249099 /nfs/dbraw/zinc/24/90/99/167249099.db2.gz MALYJWAQQQXYQQ-NSHDSACASA-N 1 0 244.335 0.248 10 0 BCAERO CC(C)(C)[C@H](O)CNC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000324381238 487587969 /nfs/dbraw/zinc/58/79/69/487587969.db2.gz WLGDVPFERLWJDO-GARJFASQSA-N 1 0 242.363 0.885 10 0 BCAERO CC(C)OC[C@H](C)[NH2+]C[C@@H]1CN(C)CCO1 ZINC000309589277 167266293 /nfs/dbraw/zinc/26/62/93/167266293.db2.gz UEYDLZADPWKPMG-NWDGAFQWSA-N 1 0 230.352 0.720 10 0 BCAERO C[C@@H](C[NH3+])C(=O)NC[C@@H](O)C(C)(C)C ZINC000324385875 487594047 /nfs/dbraw/zinc/59/40/47/487594047.db2.gz XQNVKWMCZJBVEA-JGVFFNPUSA-N 1 0 202.298 0.104 10 0 BCAERO CC(C)S(=O)(=O)CCN1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000226421320 167317340 /nfs/dbraw/zinc/31/73/40/167317340.db2.gz WZHKDUCUCVXRMM-QWRGUYRKSA-N 1 0 248.392 0.492 10 0 BCAERO CC(C)S(=O)(=O)CCN1CC[NH2+][C@H](C)C1 ZINC000226421537 167317632 /nfs/dbraw/zinc/31/76/32/167317632.db2.gz HASBMDAVCGTVJR-SNVBAGLBSA-N 1 0 234.365 0.103 10 0 BCAERO CC(C)S(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000037657728 167319482 /nfs/dbraw/zinc/31/94/82/167319482.db2.gz AJYBZVHWLPQDPA-UHFFFAOYSA-N 1 0 220.338 0.408 10 0 BCAERO CC(C)S(=O)(=O)Nc1ccc(C[NH3+])cn1 ZINC000051952969 167319077 /nfs/dbraw/zinc/31/90/77/167319077.db2.gz KBYCZYASVMGDOP-UHFFFAOYSA-N 1 0 229.305 0.690 10 0 BCAERO CC(C)S(=O)(=O)N[C@H](C)C1CC[NH2+]CC1 ZINC000037657539 167319752 /nfs/dbraw/zinc/31/97/52/167319752.db2.gz XJFAZIPRWBRZTE-SECBINFHSA-N 1 0 234.365 0.702 10 0 BCAERO COC[C@H](C)NC(=O)[C@H]1CCC[NH2+][C@H]1C ZINC000087121714 487609951 /nfs/dbraw/zinc/60/99/51/487609951.db2.gz KHZFIUFOEXAQRJ-GUBZILKMSA-N 1 0 214.309 0.526 10 0 BCAERO COC[C@H](C)NC(=O)[C@H]1CCC[NH2+][C@@H]1C ZINC000087121708 487610019 /nfs/dbraw/zinc/61/00/19/487610019.db2.gz KHZFIUFOEXAQRJ-AEJSXWLSSA-N 1 0 214.309 0.526 10 0 BCAERO C[C@@H]1CN(CCO[C@H]2CC2(F)F)C[C@@H]1[NH3+] ZINC000662277968 409593873 /nfs/dbraw/zinc/59/38/73/409593873.db2.gz UDPDQXKWMFDWFT-VGMNWLOBSA-N 1 0 220.263 0.690 10 0 BCAERO CC[C@@H]([NH2+]C)C(=O)N1CCN2CCCC[C@@H]2C1 ZINC000662418770 409707273 /nfs/dbraw/zinc/70/72/73/409707273.db2.gz TZHRZIBVHOHCBQ-VXGBXAGGSA-N 1 0 239.363 0.681 10 0 BCAERO CC[C@H](C)[C@@H]([NH3+])C(=O)NCC[C@H](COC)OC ZINC000662618233 409787697 /nfs/dbraw/zinc/78/76/97/409787697.db2.gz WBNQZXITKHTFIE-HBNTYKKESA-N 1 0 246.351 0.528 10 0 BCAERO C[C@H]([NH3+])CCC(=O)NCC[C@@H]1CCCO1 ZINC000069839637 409788094 /nfs/dbraw/zinc/78/80/94/409788094.db2.gz VVQAZCOWXPZZPD-UWVGGRQHSA-N 1 0 214.309 0.799 10 0 BCAERO CN(C)C(=O)CC[NH2+]C[C@H](O)C(C)(C)C ZINC000308840940 409916673 /nfs/dbraw/zinc/91/66/73/409916673.db2.gz YQZPMZRGBSOXAD-VIFPVBQESA-N 1 0 216.325 0.461 10 0 BCAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)[C@H]1CC=CCC1 ZINC000653138775 409860626 /nfs/dbraw/zinc/86/06/26/409860626.db2.gz JRUOHKQIRGQHOZ-DCAQKATOSA-N 1 0 224.304 0.039 10 0 BCAERO c1nc2c(c(NC[C@@H]3COCC[NH2+]3)n1)CCCC2 ZINC000232575843 487611376 /nfs/dbraw/zinc/61/13/76/487611376.db2.gz QZYJWVZKTFERGB-SNVBAGLBSA-N 1 0 248.330 0.756 10 0 BCAERO COCC1(NC(=O)[C@H]2CCC[C@H]2C[NH3+])CC1 ZINC000648090857 487612181 /nfs/dbraw/zinc/61/21/81/487612181.db2.gz WCIGKTCTYHSAEH-UWVGGRQHSA-N 1 0 226.320 0.657 10 0 BCAERO O=C(N[C@@H]1CC=CCC1)[C@H]1C[NH2+]CCOC1 ZINC000653174486 410149826 /nfs/dbraw/zinc/14/98/26/410149826.db2.gz MIYGUBACIYPYAB-WDEREUQCSA-N 1 0 224.304 0.447 10 0 BCAERO CCC1(O)CCN(C(=O)[C@H]2C[C@H](F)C[NH2+]2)CC1 ZINC000653174522 410150579 /nfs/dbraw/zinc/15/05/79/410150579.db2.gz RVYFKNKBLWTBAS-VHSXEESVSA-N 1 0 244.310 0.450 10 0 BCAERO Cc1nccnc1NCC12CC(C1)C[NH2+]2 ZINC000663275335 410092257 /nfs/dbraw/zinc/09/22/57/410092257.db2.gz FDCTXTLSYXYGTO-UHFFFAOYSA-N 1 0 204.277 0.949 10 0 BCAERO CO[C@H](C)CCC(=O)N1CC[C@H]([NH3+])[C@H]1C ZINC000309050474 410209266 /nfs/dbraw/zinc/20/92/66/410209266.db2.gz PMQXHBFGEGPMIS-BBBLOLIVSA-N 1 0 214.309 0.750 10 0 BCAERO CNC(=O)[C@@H]1CCCN1C(=O)C[C@@H]([NH3+])C(C)C ZINC000126139814 410321754 /nfs/dbraw/zinc/32/17/54/410321754.db2.gz YPXIYHUULIJNAY-ZJUUUORDSA-N 1 0 241.335 0.097 10 0 BCAERO C[C@@H]1C[C@@H]1C(=O)N1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC000403995738 410333702 /nfs/dbraw/zinc/33/37/02/410333702.db2.gz GFXLAJWWXDLYHH-RCWTZXSCSA-N 1 0 224.304 0.232 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)NCC(=O)NCC1CC1 ZINC000393138490 410297941 /nfs/dbraw/zinc/29/79/41/410297941.db2.gz CFVHEQWDXLOWIQ-SNVBAGLBSA-N 1 0 241.335 0.002 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)NC[C@@H]1CCCOC1 ZINC000128967760 410365443 /nfs/dbraw/zinc/36/54/43/410365443.db2.gz YMQBKMGITBJWBA-WDEREUQCSA-N 1 0 228.336 0.903 10 0 BCAERO COC(C)(C)CNC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000133517165 410439660 /nfs/dbraw/zinc/43/96/60/410439660.db2.gz AJLJGGGNJAYDPR-UWVGGRQHSA-N 1 0 228.336 0.903 10 0 BCAERO CC(C)(C)[NH2+]Cc1nnnn1C1CCOCC1 ZINC000054746239 166638136 /nfs/dbraw/zinc/63/81/36/166638136.db2.gz VDODXWLMIRHDAB-UHFFFAOYSA-N 1 0 239.323 0.913 10 0 BCAERO CC(C)(C)OCC(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000248583022 166677877 /nfs/dbraw/zinc/67/78/77/166677877.db2.gz FRBGIDHHOROMIS-DCAQKATOSA-N 1 0 240.347 0.997 10 0 BCAERO COCC1(CNC(=O)[C@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000655490010 410803089 /nfs/dbraw/zinc/80/30/89/410803089.db2.gz DDQQSAVAWSJBDH-MNOVXSKESA-N 1 0 240.347 0.917 10 0 BCAERO CC[C@H](C)[C@@H]([NH3+])C(=O)NCC1(COC)CC1 ZINC000655489882 410805494 /nfs/dbraw/zinc/80/54/94/410805494.db2.gz ACROENIVFBYJDT-VHSXEESVSA-N 1 0 228.336 0.903 10 0 BCAERO C[C@H]1[NH2+]CCC[C@@H]1C(=O)NCC1(CO)CC1 ZINC000395244095 410844052 /nfs/dbraw/zinc/84/40/52/410844052.db2.gz IZUUNZGYLRYYMI-ZJUUUORDSA-N 1 0 226.320 0.263 10 0 BCAERO CC(C)[C@@H](CO)[NH2+]C[C@H]1CCCN1C ZINC000395312731 410844456 /nfs/dbraw/zinc/84/44/56/410844456.db2.gz HNROTGCTNGBDQH-GHMZBOCLSA-N 1 0 200.326 0.687 10 0 BCAERO CC(C)[C@H]([NH3+])C(=O)N[C@H]1CCC[C@@H](O)C1 ZINC000040462106 410872316 /nfs/dbraw/zinc/87/23/16/410872316.db2.gz PUAXPBKHJVPPNI-AEJSXWLSSA-N 1 0 214.309 0.389 10 0 BCAERO CC(C)C[NH2+][C@@]1(C(N)=O)CCCSC1 ZINC000061590440 167013456 /nfs/dbraw/zinc/01/34/56/167013456.db2.gz MORQFPOIQQEZGM-JTQLQIEISA-N 1 0 216.350 0.983 10 0 BCAERO CC(C)C[NH2+][C@@]1(C)CCS(=O)(=O)C1 ZINC000036944406 167013671 /nfs/dbraw/zinc/01/36/71/167013671.db2.gz XYGNLAKPRFCEFE-VIFPVBQESA-N 1 0 205.323 0.809 10 0 BCAERO CC(C)NC(=O)CCN1CC[NH2+]C[C@H]1C ZINC000054374564 167039598 /nfs/dbraw/zinc/03/95/98/167039598.db2.gz LTMMZMGRYAAFPF-SNVBAGLBSA-N 1 0 213.325 0.195 10 0 BCAERO CC(C)NC(=O)CCNC(=O)[C@@H]1CCC[C@H]1[NH3+] ZINC000135251416 167041116 /nfs/dbraw/zinc/04/11/16/167041116.db2.gz PDKKIZQBWHXWFO-NXEZZACHSA-N 1 0 241.335 0.145 10 0 BCAERO CC(C)NC(=O)C[NH2+][C@@H]1CCCCC[C@@H]1O ZINC000037892471 167058609 /nfs/dbraw/zinc/05/86/09/167058609.db2.gz LCMUEWDVPFENNY-MNOVXSKESA-N 1 0 228.336 0.794 10 0 BCAERO CC(C)[C@@H]([NH3+])CC(=O)N1CCc2n[nH]nc2C1 ZINC000396837880 410902763 /nfs/dbraw/zinc/90/27/63/410902763.db2.gz ABVLTTDRDDCYOZ-QMMMGPOBSA-N 1 0 237.307 0.063 10 0 BCAERO CC(C)[NH2+]CC(=O)N1CCC[C@@H]1C(=O)N(C)C ZINC000037609818 167095821 /nfs/dbraw/zinc/09/58/21/167095821.db2.gz ZEVMBQWXSBQRGS-SNVBAGLBSA-N 1 0 241.335 0.064 10 0 BCAERO CC(C)[NH2+]CC(=O)N[C@H]1CCCC[C@H]1O ZINC000052009912 167098461 /nfs/dbraw/zinc/09/84/61/167098461.db2.gz VQHUAVPKEPGDHS-VHSXEESVSA-N 1 0 214.309 0.404 10 0 BCAERO CC(C)[NH2+]C[C@@H](O)CN(C)Cc1nccn1C ZINC000062250144 167110445 /nfs/dbraw/zinc/11/04/45/167110445.db2.gz WLHCLIJRYSBZNW-LLVKDONJSA-N 1 0 240.351 0.211 10 0 BCAERO CC(C)[NH2+]C[C@@H](O)CN(C)Cc1ccccn1 ZINC000036777310 167110608 /nfs/dbraw/zinc/11/06/08/167110608.db2.gz ODDNMMQPAWWKJX-CYBMUJFWSA-N 1 0 237.347 0.872 10 0 BCAERO CC(C)[NH2+]C[C@@H](O)CN(C)Cc1ccncc1 ZINC000036775809 167112205 /nfs/dbraw/zinc/11/22/05/167112205.db2.gz GJHRDXXRJKYNNF-CYBMUJFWSA-N 1 0 237.347 0.872 10 0 BCAERO CC(C)[NH2+]C[C@H](O)COCCc1ccccn1 ZINC000034978761 167115053 /nfs/dbraw/zinc/11/50/53/167115053.db2.gz ALBSKFFCAYXUBY-ZDUSSCGKSA-N 1 0 238.331 1.000 10 0 BCAERO CC(C)NS(=O)(=O)C[C@H]1CCC[NH2+]C1 ZINC000049631922 167124119 /nfs/dbraw/zinc/12/41/19/167124119.db2.gz WCPVWMBHAXCKMJ-VIFPVBQESA-N 1 0 220.338 0.314 10 0 BCAERO CC(C)[NH2+][C@@H]1CCCN(c2cnn(C)c2)C1=O ZINC000071040293 167133991 /nfs/dbraw/zinc/13/39/91/167133991.db2.gz VQVQGZZFJVCSQU-LLVKDONJSA-N 1 0 236.319 0.914 10 0 BCAERO CC(C)OC(=O)N1CCO[C@H](C[NH3+])C1 ZINC000044239679 167163280 /nfs/dbraw/zinc/16/32/80/167163280.db2.gz RQEPULBHCLZNDJ-MRVPVSSYSA-N 1 0 202.254 0.191 10 0 BCAERO CC(C)OCC(=O)N1C[C@@H](C)[C@@H]([NH+](C)C)C1 ZINC000122666074 167182819 /nfs/dbraw/zinc/18/28/19/167182819.db2.gz IBNRQFUAXODOCW-MNOVXSKESA-N 1 0 228.336 0.820 10 0 BCAERO CC(C)OCC(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000162579568 167191142 /nfs/dbraw/zinc/19/11/42/167191142.db2.gz KLOZTACUYRIVKF-ZJUUUORDSA-N 1 0 214.309 0.655 10 0 BCAERO CC[NH+](CC)CCN1CN=NC1=S ZINC000020583604 169784559 /nfs/dbraw/zinc/78/45/59/169784559.db2.gz ICYGEYIIKYVRJM-UHFFFAOYSA-N 1 0 200.311 0.909 10 0 BCAERO CC(C)OCCOC(=O)CN1CCC[NH2+]CC1 ZINC000061145846 167246341 /nfs/dbraw/zinc/24/63/41/167246341.db2.gz SHSYHBUMVBPJDQ-UHFFFAOYSA-N 1 0 244.335 0.250 10 0 BCAERO CC(C)OC[C@H](O)CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000121995572 167269971 /nfs/dbraw/zinc/26/99/71/167269971.db2.gz FQPNOVQOZOGQJJ-CHWSQXEVSA-N 1 0 242.363 0.552 10 0 BCAERO Cc1ncc(C[NH2+]C[C@@H](O)COC(C)C)o1 ZINC000397921651 410938319 /nfs/dbraw/zinc/93/83/19/410938319.db2.gz OEYNEYBXRAYERX-SNVBAGLBSA-N 1 0 228.292 0.859 10 0 BCAERO CC(C)[C@@H](C)NC(=O)COC1C[NH2+]C1 ZINC000062809993 167373843 /nfs/dbraw/zinc/37/38/43/167373843.db2.gz HOKRFKHSKLMPRB-MRVPVSSYSA-N 1 0 200.282 0.136 10 0 BCAERO CC(C)[C@@H](C)NC(=O)[C@H](C)N1CC[NH2+]CC1 ZINC000020523662 167378939 /nfs/dbraw/zinc/37/89/39/167378939.db2.gz RGLHZACIPWRBIU-MNOVXSKESA-N 1 0 227.352 0.441 10 0 BCAERO CC(C)[C@@H](C)[NH2+]Cc1cn(C)c(=O)n(C)c1=O ZINC000020522633 167384151 /nfs/dbraw/zinc/38/41/51/167384151.db2.gz HZAFKYKHZLLAEU-SECBINFHSA-N 1 0 239.319 0.218 10 0 BCAERO CC(C)[C@@H](CN(C)C)[NH2+]CCN1CCOCC1 ZINC000049216336 167394843 /nfs/dbraw/zinc/39/48/43/167394843.db2.gz LMBADCCPWGYUPL-CYBMUJFWSA-N 1 0 243.395 0.494 10 0 BCAERO COC[C@@H](NC(=O)C[C@H]([NH3+])C(C)C)C1CC1 ZINC000397345276 410919937 /nfs/dbraw/zinc/91/99/37/410919937.db2.gz XSEGERWWHXDXEI-WDEREUQCSA-N 1 0 228.336 0.901 10 0 BCAERO CNC(=O)CCCNC(=O)[C@H]([NH3+])CC(C)C ZINC000398428682 410964630 /nfs/dbraw/zinc/96/46/30/410964630.db2.gz YYBXIIWBOOLALS-SECBINFHSA-N 1 0 229.324 0.002 10 0 BCAERO O=C(C[C@@H]1CCC[NH2+]1)NCC[C@H]1CCCO1 ZINC000042170463 410973329 /nfs/dbraw/zinc/97/33/29/410973329.db2.gz ONPSMXPGNXMVJX-WDEREUQCSA-N 1 0 226.320 0.814 10 0 BCAERO CC(C)[C@@H]([NH3+])C(=O)N(C)C[C@H]1CCCO1 ZINC000042465796 411006838 /nfs/dbraw/zinc/00/68/38/411006838.db2.gz UQQOUNMRNNYFFB-NXEZZACHSA-N 1 0 214.309 0.607 10 0 BCAERO COC[C@H](C)NC(=O)[C@H](C(C)C)[C@@H](C)[NH3+] ZINC000399498743 411046823 /nfs/dbraw/zinc/04/68/23/411046823.db2.gz ICWARVHNZUWKRA-IVZWLZJFSA-N 1 0 216.325 0.757 10 0 BCAERO C[C@]1(C(=O)N[C@@H]2CCCOCC2)CCC[NH2+]1 ZINC000393807813 411054635 /nfs/dbraw/zinc/05/46/35/411054635.db2.gz XOZAIOHFNSQDHR-ZYHUDNBSSA-N 1 0 226.320 0.814 10 0 BCAERO CC(C)[C@H](C(=O)N[C@H]1CCCNC1=O)[C@@H](C)[NH3+] ZINC000399667334 411055715 /nfs/dbraw/zinc/05/57/15/411055715.db2.gz RGMHONJINZTFOP-UTLUCORTSA-N 1 0 241.335 0.001 10 0 BCAERO CCc1nn(C)cc1CN1C[C@H](C)[C@H]([NH3+])C1 ZINC000300046820 411079041 /nfs/dbraw/zinc/07/90/41/411079041.db2.gz AGHAYALISJTOIS-GXSJLCMTSA-N 1 0 222.336 0.762 10 0 BCAERO C[C@@H](O)CCNC(=O)[C@H]([NH3+])C1CCC1 ZINC000399165659 411020954 /nfs/dbraw/zinc/02/09/54/411020954.db2.gz DVVIGVCAUXMWQG-VXNVDRBHSA-N 1 0 200.282 0.001 10 0 BCAERO CC[C@H](NC(=O)CN1CC[NH2+]CC1)C(C)C ZINC000042592851 411021138 /nfs/dbraw/zinc/02/11/38/411021138.db2.gz IWFRYKCXCDSMPF-NSHDSACASA-N 1 0 227.352 0.442 10 0 BCAERO CC1(C(=O)N[C@@H]2CCC[C@H](O)C2)C[NH2+]C1 ZINC000399285964 411030770 /nfs/dbraw/zinc/03/07/70/411030770.db2.gz KQCQOXJQHKVABS-BDAKNGLRSA-N 1 0 212.293 0.016 10 0 BCAERO O=C(CC[C@H]1CCC[NH2+]1)NCC1(CO)CC1 ZINC000309398874 411163039 /nfs/dbraw/zinc/16/30/39/411163039.db2.gz HAJPKDSBEPWEEJ-SNVBAGLBSA-N 1 0 226.320 0.407 10 0 BCAERO C[C@@H](C1CC1)N(C)C(=O)C1(C[NH3+])CCOCC1 ZINC000044762843 411139793 /nfs/dbraw/zinc/13/97/93/411139793.db2.gz BHEMSJZASQYOSO-JTQLQIEISA-N 1 0 240.347 0.999 10 0 BCAERO [NH3+]CCCCC(=O)NCC[C@@H]1CCCO1 ZINC000069733581 411158062 /nfs/dbraw/zinc/15/80/62/411158062.db2.gz LQIBGVAGQWFVLH-JTQLQIEISA-N 1 0 214.309 0.801 10 0 BCAERO C[C@H](NC(=O)CCCC[NH3+])[C@H]1CCCO1 ZINC000069733059 411158987 /nfs/dbraw/zinc/15/89/87/411158987.db2.gz MAGCBYJTAQTPCZ-VHSXEESVSA-N 1 0 214.309 0.799 10 0 BCAERO C[NH2+]CCC1CCN(c2nnnn2C)CC1 ZINC000069730694 411159294 /nfs/dbraw/zinc/15/92/94/411159294.db2.gz TYYXFBKWYOVNCF-UHFFFAOYSA-N 1 0 224.312 0.036 10 0 BCAERO C[C@H](C(=O)N1CC[C@@H]([NH3+])[C@H]1C)n1cccn1 ZINC000309354301 411107883 /nfs/dbraw/zinc/10/78/83/411107883.db2.gz YBCJENDKDOLMNG-OPRDCNLKSA-N 1 0 222.292 0.392 10 0 BCAERO C[C@H](C(=O)N1CC[C@H]([NH3+])[C@H]1C)n1cccn1 ZINC000309354297 411108072 /nfs/dbraw/zinc/10/80/72/411108072.db2.gz YBCJENDKDOLMNG-BBBLOLIVSA-N 1 0 222.292 0.392 10 0 BCAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)CCOCC(F)F ZINC000309355828 411108131 /nfs/dbraw/zinc/10/81/31/411108131.db2.gz YISLEQXTIIUFDT-SFYZADRCSA-N 1 0 236.262 0.606 10 0 BCAERO COCc1csc(NC(=O)C[C@H](C)[NH3+])n1 ZINC000309375751 411113914 /nfs/dbraw/zinc/11/39/14/411113914.db2.gz COXPHMMZMUFNHB-LURJTMIESA-N 1 0 229.305 0.965 10 0 BCAERO CC(C)NC(=O)CNC(=O)C[C@H]([NH3+])C(C)C ZINC000128912917 411189313 /nfs/dbraw/zinc/18/93/13/411189313.db2.gz AIPIVZMCJUGEJZ-VIFPVBQESA-N 1 0 229.324 0.001 10 0 BCAERO CCNC(=O)[C@@H](C)NC(=O)C[C@@H]([NH3+])C(C)C ZINC000128931612 411190715 /nfs/dbraw/zinc/19/07/15/411190715.db2.gz IFBBFWQVEKAZAU-RKDXNWHRSA-N 1 0 229.324 0.001 10 0 BCAERO CCOCCNC(=O)C[C@H]([NH3+])C(C)C ZINC000128939931 411193221 /nfs/dbraw/zinc/19/32/21/411193221.db2.gz PZZFZKUMMGCLMQ-VIFPVBQESA-N 1 0 202.298 0.513 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)NC[C@H]1CCCOC1 ZINC000128968187 411193527 /nfs/dbraw/zinc/19/35/27/411193527.db2.gz YMQBKMGITBJWBA-GHMZBOCLSA-N 1 0 228.336 0.903 10 0 BCAERO CC(C)[C@@H]([NH3+])CC(=O)N(C)C[C@H]1CCCO1 ZINC000129001784 411196784 /nfs/dbraw/zinc/19/67/84/411196784.db2.gz SVEPXTQYLUJPLN-MNOVXSKESA-N 1 0 228.336 0.997 10 0 BCAERO COCC1(CC(=O)NCC[C@@H](C)[NH3+])CC1 ZINC000401484742 411200982 /nfs/dbraw/zinc/20/09/82/411200982.db2.gz OYUPQTLVUSQXJI-SECBINFHSA-N 1 0 214.309 0.657 10 0 BCAERO COC[C@H](C)CNC(=O)C[C@@H]([NH3+])C(C)C ZINC000129023982 411207773 /nfs/dbraw/zinc/20/77/73/411207773.db2.gz HKRRBRSBEKVWHF-NXEZZACHSA-N 1 0 216.325 0.759 10 0 BCAERO Cc1cc2c(N[C@H](C)[C@H](C)[NH3+])nccn2n1 ZINC000381734577 411208798 /nfs/dbraw/zinc/20/87/98/411208798.db2.gz LIFTXZPAIBGNAY-DTWKUNHWSA-N 1 0 219.292 1.185 10 0 BCAERO O=C(C[C@@H]1COCC[NH2+]1)NCC[C@H]1CCCO1 ZINC000129052163 411215076 /nfs/dbraw/zinc/21/50/76/411215076.db2.gz IWLWVGMUBRUSBA-GHMZBOCLSA-N 1 0 242.319 0.050 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)N[C@@H]1CO[C@H](C)C1 ZINC000402352392 411216175 /nfs/dbraw/zinc/21/61/75/411216175.db2.gz AIDIDTMMGCYAJT-KXUCPTDWSA-N 1 0 214.309 0.653 10 0 BCAERO CC(C)[C@@H]([NH3+])CC(=O)N[C@H]1CO[C@H](C)C1 ZINC000402352391 411216668 /nfs/dbraw/zinc/21/66/68/411216668.db2.gz AIDIDTMMGCYAJT-BBBLOLIVSA-N 1 0 214.309 0.653 10 0 BCAERO CC(C)[C@@H]([NH3+])CC(=O)N(C)Cc1cn[nH]c1 ZINC000129077545 411218340 /nfs/dbraw/zinc/21/83/40/411218340.db2.gz TUYKRIAZOYLEQH-JTQLQIEISA-N 1 0 224.308 0.742 10 0 BCAERO COCC[C@@H](C)NC(=O)C[C@@H]([NH3+])C(C)C ZINC000129096217 411224242 /nfs/dbraw/zinc/22/42/42/411224242.db2.gz ONSQHMJZJYXFBF-NXEZZACHSA-N 1 0 216.325 0.901 10 0 BCAERO CO[C@](C)(CO)C[NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000655785140 411225782 /nfs/dbraw/zinc/22/57/82/411225782.db2.gz KBJUGOWPSKBDCS-UZWSLXQKSA-N 1 0 243.347 0.787 10 0 BCAERO C[C@@H]1C[C@H](NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)CO1 ZINC000402092485 411230307 /nfs/dbraw/zinc/23/03/07/411230307.db2.gz JPJIZJCZYDDJDK-KYXWUPHJSA-N 1 0 212.293 0.407 10 0 BCAERO CN(Cc1cn[nH]c1)C(=O)CC[C@H]1CCC[NH2+]1 ZINC000310248153 411230877 /nfs/dbraw/zinc/23/08/77/411230877.db2.gz JRLRHLFPUFPPAE-LLVKDONJSA-N 1 0 236.319 0.900 10 0 BCAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]CCO[C@H]1CC1(F)F ZINC000660476323 411230884 /nfs/dbraw/zinc/23/08/84/411230884.db2.gz FJJQCMDCRLMQNT-YIZRAAEISA-N 1 0 248.273 0.667 10 0 BCAERO CC[C@@H](CCO)CNC(=O)C[C@@H]([NH3+])C(C)C ZINC000129140318 411232217 /nfs/dbraw/zinc/23/22/17/411232217.db2.gz CVGLIPOIYYYFQW-WDEREUQCSA-N 1 0 230.352 0.885 10 0 BCAERO CC(C)[C@@H]([NH3+])CC(=O)NCC1(CO)CC1 ZINC000129155656 411233429 /nfs/dbraw/zinc/23/34/29/411233429.db2.gz SNQXBQNGBIJKNA-VIFPVBQESA-N 1 0 214.309 0.249 10 0 BCAERO COCC(=O)N[C@@H]1CCCCC[NH2+]C1 ZINC000536958880 411266161 /nfs/dbraw/zinc/26/61/61/411266161.db2.gz HWLAILYNGLVWRW-SECBINFHSA-N 1 0 200.282 0.281 10 0 BCAERO CN(Cc1ncc[nH]1)C(=O)[C@@]1(C)CCC[NH2+]1 ZINC000070645766 411271653 /nfs/dbraw/zinc/27/16/53/411271653.db2.gz XYUVVIXNVDFXTC-LLVKDONJSA-N 1 0 222.292 0.510 10 0 BCAERO Nc1cc([C@H]2COCC[N@H+](CCO)C2)ccn1 ZINC000616659515 411280774 /nfs/dbraw/zinc/28/07/74/411280774.db2.gz KMNXWWPJXGWTDH-LLVKDONJSA-N 1 0 237.303 0.072 10 0 BCAERO C[C@]1(C(=O)N[C@H]2CCC[C@H](O)C2)CC[NH2+]C1 ZINC000062891490 411328728 /nfs/dbraw/zinc/32/87/28/411328728.db2.gz CFTJABLYJXWUEI-NHCYSSNCSA-N 1 0 226.320 0.406 10 0 BCAERO C[C@]1(C(=O)NCC[C@@H]2CCCO2)CC[NH2+]C1 ZINC000062897049 411328999 /nfs/dbraw/zinc/32/89/99/411328999.db2.gz HFFSYMAZXYIBLP-JQWIXIFHSA-N 1 0 226.320 0.671 10 0 BCAERO Nc1cc([C@@H]2CCN(CC[NH3+])C2)ccn1 ZINC000616611355 411287571 /nfs/dbraw/zinc/28/75/71/411287571.db2.gz CVAIBSTYNFCABZ-SNVBAGLBSA-N 1 0 206.293 0.412 10 0 BCAERO CCN1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2O)C1=O ZINC000656507913 411288083 /nfs/dbraw/zinc/28/80/83/411288083.db2.gz WGJQPYFRMOPRJH-OUAUKWLOSA-N 1 0 226.320 0.500 10 0 BCAERO COC[C@@H](C)C(=O)N1CC[NH2+]C[C@H]1C ZINC000124893375 411329486 /nfs/dbraw/zinc/32/94/86/411329486.db2.gz CIXYXFXECYGKLY-RKDXNWHRSA-N 1 0 200.282 0.089 10 0 BCAERO Cn1nc(Br)cc1[C@@H]1C[C@H]1[NH3+] ZINC000575500007 411296357 /nfs/dbraw/zinc/29/63/57/411296357.db2.gz PNOKEMBYTSRTAM-RFZPGFLSSA-N 1 0 216.082 0.997 10 0 BCAERO COC[C@H](OC)C(=O)N(C)[C@H]1CCC[NH2+]CC1 ZINC000659304917 411298022 /nfs/dbraw/zinc/29/80/22/411298022.db2.gz QPJKGGQWFWUMNQ-QWRGUYRKSA-N 1 0 244.335 0.248 10 0 BCAERO C[C@@H]1[NH2+]CCC[C@H]1Nc1ccc(C#N)nn1 ZINC000396990716 411306454 /nfs/dbraw/zinc/30/64/54/411306454.db2.gz BYLFDBXWXGVFSH-WCBMZHEXSA-N 1 0 217.276 0.901 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)N(C)Cc1nc(C)no1 ZINC000655526640 411307071 /nfs/dbraw/zinc/30/70/71/411307071.db2.gz DBFCYMQJORTCOC-MRVPVSSYSA-N 1 0 226.280 0.464 10 0 BCAERO CC[C@H](C)[C@@H]([NH3+])C(=O)N(C)Cc1nc(C)no1 ZINC000655527363 411307144 /nfs/dbraw/zinc/30/71/44/411307144.db2.gz PHWLKKVARYAGRA-OIBJUYFYSA-N 1 0 240.307 0.710 10 0 BCAERO COC(C)(C)[C@@H](C)[NH2+]C[C@@H]1CC(=O)N(C)C1 ZINC000658239229 411308324 /nfs/dbraw/zinc/30/83/24/411308324.db2.gz CCGHIHMLGNLYHD-ZJUUUORDSA-N 1 0 228.336 0.868 10 0 BCAERO CN1C[C@@H](C[NH2+][C@H]2COC3(CCC3)C2)CC1=O ZINC000658240846 411308958 /nfs/dbraw/zinc/30/89/58/411308958.db2.gz KDWKFHUMPMGUGK-GHMZBOCLSA-N 1 0 238.331 0.766 10 0 BCAERO CC[C@@H](COC)[NH2+]C[C@@H]1CC(=O)N(C)C1 ZINC000658240556 411309204 /nfs/dbraw/zinc/30/92/04/411309204.db2.gz BDWFKSYYGZBRDC-UWVGGRQHSA-N 1 0 214.309 0.479 10 0 BCAERO Cc1ncoc1C(=O)N1CC[C@@H]([NH3+])[C@H]1C ZINC000379777953 411309666 /nfs/dbraw/zinc/30/96/66/411309666.db2.gz DVDAZVIYCFKZHR-HTQZYQBOSA-N 1 0 209.249 0.545 10 0 BCAERO COc1cc(C)nc(N2CC3CC2(C[NH3+])C3)n1 ZINC000656610970 411309917 /nfs/dbraw/zinc/30/99/17/411309917.db2.gz OLRURLLNFNDAQQ-UHFFFAOYSA-N 1 0 234.303 0.721 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H](NC[C@@H](O)C(C)(C)C)C1 ZINC000401741759 411310686 /nfs/dbraw/zinc/31/06/86/411310686.db2.gz HIEIVJJGHRHCDO-HBNTYKKESA-N 1 0 214.353 0.981 10 0 BCAERO COC[C@@H]([NH2+]C[C@H]1CC(=O)N(C)C1)C(C)C ZINC000658245735 411311429 /nfs/dbraw/zinc/31/14/29/411311429.db2.gz ZYAUIEMXRLOBBM-GHMZBOCLSA-N 1 0 228.336 0.725 10 0 BCAERO COC[C@H](C)NC(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000062852020 411326425 /nfs/dbraw/zinc/32/64/25/411326425.db2.gz YWMOIYWHOIRVGS-ONGXEEELSA-N 1 0 214.309 0.527 10 0 BCAERO CCc1nnc(C)cc1C(=O)N1CC[C@@H]([NH3+])[C@H]1C ZINC000310692789 411252085 /nfs/dbraw/zinc/25/20/85/411252085.db2.gz OJJBWTZIFJKWHC-MWLCHTKSSA-N 1 0 248.330 0.909 10 0 BCAERO OC[C@@H]1C[NH+](C[C@@H]2CCC[C@@H](O)C2)CCO1 ZINC000309810397 411252571 /nfs/dbraw/zinc/25/25/71/411252571.db2.gz YVBBXTCWJODTLM-UTUOFQBUSA-N 1 0 229.320 0.231 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)N1CCO[C@@H](C)C1 ZINC000128854569 411253181 /nfs/dbraw/zinc/25/31/81/411253181.db2.gz WTWQRWOLZIGXBU-VHSXEESVSA-N 1 0 214.309 0.607 10 0 BCAERO CCCCCNC(=O)[C@@H](C)n1cc(C[NH3+])nn1 ZINC000050224658 411254202 /nfs/dbraw/zinc/25/42/02/411254202.db2.gz AZFGGXYZCMZLOU-SECBINFHSA-N 1 0 239.323 0.604 10 0 BCAERO CC(C)CCNC(=O)[C@H](C)n1cc(C[NH3+])nn1 ZINC000050224677 411254417 /nfs/dbraw/zinc/25/44/17/411254417.db2.gz JDNGYDZLCQVIGJ-VIFPVBQESA-N 1 0 239.323 0.460 10 0 BCAERO [NH3+]Cc1cn(CCOc2ccccc2F)nn1 ZINC000050224787 411254743 /nfs/dbraw/zinc/25/47/43/411254743.db2.gz ALBNQEZETGXPTA-UHFFFAOYSA-N 1 0 236.250 0.955 10 0 BCAERO CC[C@H](C)NC(=O)[C@H](C)n1cc(C[NH3+])nn1 ZINC000050224657 411254942 /nfs/dbraw/zinc/25/49/42/411254942.db2.gz RKLUXTHOGDSQDY-YUMQZZPRSA-N 1 0 225.296 0.213 10 0 BCAERO OC1(C[N@@H+]2CC[C@H]3COC[C@@H]3C2)CCC1 ZINC000662031250 411349274 /nfs/dbraw/zinc/34/92/74/411349274.db2.gz RDOOBGLRTDXKQA-QWRGUYRKSA-N 1 0 211.305 0.870 10 0 BCAERO [NH3+][C@H](CC(=O)N[C@@H]1CCNC1=O)c1ccccc1 ZINC000659328631 411357326 /nfs/dbraw/zinc/35/73/26/411357326.db2.gz IMESSPCSSHPIBP-GHMZBOCLSA-N 1 0 247.298 0.081 10 0 BCAERO [NH3+][C@@H](CC(=O)N[C@@H]1CCNC1=O)c1ccccc1 ZINC000659328635 411357333 /nfs/dbraw/zinc/35/73/33/411357333.db2.gz IMESSPCSSHPIBP-WDEREUQCSA-N 1 0 247.298 0.081 10 0 BCAERO CC[C@H]1CN(C(=O)[C@@H]2C[NH2+]C[C@H]2C)[C@H](C)CO1 ZINC000403941615 411368843 /nfs/dbraw/zinc/36/88/43/411368843.db2.gz NCNWGLMULGGSDS-WISYIIOYSA-N 1 0 240.347 0.868 10 0 BCAERO C[C@]1(C(=O)NCCO[C@@H]2CC2(F)F)CCC[NH2+]1 ZINC000659345369 411372277 /nfs/dbraw/zinc/37/22/77/411372277.db2.gz JEQHSKCGDSWSHT-PSASIEDQSA-N 1 0 248.273 0.669 10 0 BCAERO CCN(C[C@H]1CCOC1)C(=O)[C@H]1CC[NH2+]C1 ZINC000062115385 411347478 /nfs/dbraw/zinc/34/74/78/411347478.db2.gz SSJNKYNTNLNZHZ-MNOVXSKESA-N 1 0 226.320 0.481 10 0 BCAERO CC1(NS(=O)(=O)N2CC[NH2+]CC2)CCCC1 ZINC000042188150 168064441 /nfs/dbraw/zinc/06/44/41/168064441.db2.gz ILUSQVYQHGZOBU-UHFFFAOYSA-N 1 0 247.364 0.059 10 0 BCAERO Cn1nnnc1N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000063201356 411349158 /nfs/dbraw/zinc/34/91/58/411349158.db2.gz HNAFFOPXNVCUPG-JTQLQIEISA-N 1 0 236.323 0.179 10 0 BCAERO CC1=CC(=O)N(CC2CC[NH2+]CC2)C1=O ZINC000044509318 168092617 /nfs/dbraw/zinc/09/26/17/168092617.db2.gz DXJKOVREJPKCJX-UHFFFAOYSA-N 1 0 208.261 0.301 10 0 BCAERO CC1=CC(=O)N(C[C@H]2CCCC[NH2+]2)C1=O ZINC000044493585 168092870 /nfs/dbraw/zinc/09/28/70/168092870.db2.gz DJQGVDOAAQYXSU-SECBINFHSA-N 1 0 208.261 0.444 10 0 BCAERO CC1CC(=O)N([C@H]2CCC[C@H]2C[NH3+])C(=O)C1 ZINC000061884314 168138698 /nfs/dbraw/zinc/13/86/98/168138698.db2.gz AOHZFULFTFHXEM-UWVGGRQHSA-N 1 0 224.304 0.899 10 0 BCAERO CC1CC(=O)N(C[C@H]2CCCC[NH2+]2)C(=O)C1 ZINC000061828858 168139536 /nfs/dbraw/zinc/13/95/36/168139536.db2.gz AKBKWILDJBHFOR-SNVBAGLBSA-N 1 0 224.304 0.914 10 0 BCAERO CC1CCC(C(N)=O)(N2CC[NH2+]CC2)CC1 ZINC000037945677 168148916 /nfs/dbraw/zinc/14/89/16/168148916.db2.gz GRIGJOPLPYLMBR-UHFFFAOYSA-N 1 0 225.336 0.326 10 0 BCAERO CC1CCC(CO)([NH2+][C@H]2COC[C@H]2O)CC1 ZINC000053118098 168157172 /nfs/dbraw/zinc/15/71/72/168157172.db2.gz MZKPIRBKTNJKJM-LVFLEHKBSA-N 1 0 229.320 0.277 10 0 BCAERO CC1CCC([NH2+][C@H]2CC(=O)N(C)C2=O)CC1 ZINC000102664748 168165353 /nfs/dbraw/zinc/16/53/53/168165353.db2.gz UJYGSISJBYPJFC-RTBKNWGFSA-N 1 0 224.304 0.912 10 0 BCAERO CCC(=O)N1CCCN(CCC[NH3+])CC1 ZINC000037037939 168216949 /nfs/dbraw/zinc/21/69/49/168216949.db2.gz BQDQNQBJJXOTJH-UHFFFAOYSA-N 1 0 213.325 0.280 10 0 BCAERO CO[C@@H](C(=O)NC[C@H]1CC[NH2+]C1)C1CCC1 ZINC000659303843 411390912 /nfs/dbraw/zinc/39/09/12/411390912.db2.gz JZCJBGLDVKKQJY-GXSJLCMTSA-N 1 0 226.320 0.527 10 0 BCAERO CO[C@@H](C(=O)NC[C@@H]1CC[NH2+]C1)C1CCC1 ZINC000659303845 411391050 /nfs/dbraw/zinc/39/10/50/411391050.db2.gz JZCJBGLDVKKQJY-MWLCHTKSSA-N 1 0 226.320 0.527 10 0 BCAERO CCOCCC[N@@H+]1CC[C@@H]2OCCN[C@H]2C1 ZINC000404204225 411383275 /nfs/dbraw/zinc/38/32/75/411383275.db2.gz RKZSIYYBHJIGJU-RYUDHWBXSA-N 1 0 228.336 0.476 10 0 BCAERO CCC(C)(C)NC(=O)CN(C)C[C@@H]([NH3+])COC ZINC000104317090 168289451 /nfs/dbraw/zinc/28/94/51/168289451.db2.gz IHUPYEDRLYUTFC-SNVBAGLBSA-N 1 0 245.367 0.197 10 0 BCAERO CCC(C)(C)[NH2+][C@H]1CCS(=O)(=O)C1 ZINC000022177811 168302626 /nfs/dbraw/zinc/30/26/26/168302626.db2.gz LNWFJRQVAAYXEN-QMMMGPOBSA-N 1 0 205.323 0.952 10 0 BCAERO C[NH2+][C@H](C)C(=O)NCCO[C@H]1CC1(F)F ZINC000659344664 411400500 /nfs/dbraw/zinc/40/05/00/411400500.db2.gz BTHPLDXJLILLCW-RQJHMYQMSA-N 1 0 222.235 0.135 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)NCCO[C@@H]1CC1(F)F ZINC000659346111 411401036 /nfs/dbraw/zinc/40/10/36/411401036.db2.gz RIIMOYNSIGJYBR-IWSPIJDZSA-N 1 0 248.273 0.382 10 0 BCAERO O=C(NCCO[C@@H]1CC1(F)F)[C@H]1CCC[NH2+]C1 ZINC000659345581 411401064 /nfs/dbraw/zinc/40/10/64/411401064.db2.gz KSBKGLFHKABLKC-DTWKUNHWSA-N 1 0 248.273 0.526 10 0 BCAERO C[C@@H]1CCC[C@H](CNC(=O)[C@@H]2CC[NH2+]C2)O1 ZINC000659360078 411402824 /nfs/dbraw/zinc/40/28/24/411402824.db2.gz ADZHZUZSPQIVIW-GMTAPVOTSA-N 1 0 226.320 0.670 10 0 BCAERO C[C@H]1CCC[C@@H](CNC(=O)[C@H]2CC[NH2+]C2)O1 ZINC000659360076 411402828 /nfs/dbraw/zinc/40/28/28/411402828.db2.gz ADZHZUZSPQIVIW-DCAQKATOSA-N 1 0 226.320 0.670 10 0 BCAERO C[C@@H]1CCC[C@@H](CNC(=O)[C@@H]2CC[NH2+]C2)O1 ZINC000659360082 411402928 /nfs/dbraw/zinc/40/29/28/411402928.db2.gz ADZHZUZSPQIVIW-MXWKQRLJSA-N 1 0 226.320 0.670 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@@H]1CCC[C@H](C)O1 ZINC000659363079 411403918 /nfs/dbraw/zinc/40/39/18/411403918.db2.gz ZNPCIWPOTSTGGC-NOOOWODRSA-N 1 0 240.347 0.916 10 0 BCAERO C[NH2+][C@H](C)C(=O)NC[C@H]1CCC[C@@H](C)O1 ZINC000659363012 411404438 /nfs/dbraw/zinc/40/44/38/411404438.db2.gz ZBKYBBZMSVAKIB-OPRDCNLKSA-N 1 0 214.309 0.668 10 0 BCAERO COC[C@]1(C(=O)NCC2=CCCC2)CCC[NH2+]1 ZINC000659379651 411406356 /nfs/dbraw/zinc/40/63/56/411406356.db2.gz KYDOCSLCZQPVIC-ZDUSSCGKSA-N 1 0 238.331 0.982 10 0 BCAERO C[C@@]1(CNC(=O)C[C@H]2CCC[NH2+]C2)CCOC1 ZINC000397224064 411409955 /nfs/dbraw/zinc/40/99/55/411409955.db2.gz MCMMUDPPIIPGGF-YPMHNXCESA-N 1 0 240.347 0.919 10 0 BCAERO CC(=O)N[C@@H]1C[N@@H+](C(C)(C)C)CCCO1 ZINC000616648843 411411172 /nfs/dbraw/zinc/41/11/72/411411172.db2.gz FCLMPVNYXQVZEB-JTQLQIEISA-N 1 0 214.309 0.969 10 0 BCAERO CCOC(=O)N1CCOC[C@@H]([NH+](C)C)C1 ZINC000616660461 411412468 /nfs/dbraw/zinc/41/24/68/411412468.db2.gz IOQJFMJRXVLDAH-VIFPVBQESA-N 1 0 216.281 0.405 10 0 BCAERO CNC(=O)[C@H]1CCCN1C(=O)C[C@@H]([NH3+])C(C)C ZINC000126139332 411418981 /nfs/dbraw/zinc/41/89/81/411418981.db2.gz YPXIYHUULIJNAY-NXEZZACHSA-N 1 0 241.335 0.097 10 0 BCAERO [NH3+][C@@H]1CCC[C@H]1CC(=O)N[C@@H]1CCC[C@@H](O)C1 ZINC000405404691 411427415 /nfs/dbraw/zinc/42/74/15/411427415.db2.gz XHOSATCGUKKMOF-IRCOFANPSA-N 1 0 240.347 0.924 10 0 BCAERO [NH3+]CC1(C(=O)N[C@@H]2CCC[C@@H](O)C2)CCCC1 ZINC000122996095 411437210 /nfs/dbraw/zinc/43/72/10/411437210.db2.gz DXAJGFIOIONUQY-GHMZBOCLSA-N 1 0 240.347 0.925 10 0 BCAERO COC[C@H](O)C[NH2+]CC[C@@H]1CCCO1 ZINC000068891793 411438235 /nfs/dbraw/zinc/43/82/35/411438235.db2.gz XCTOSNZVPDUFJN-ZJUUUORDSA-N 1 0 203.282 0.152 10 0 BCAERO C[C@@H]([NH2+]C[C@H](C)O)c1nnc2n1CCCC2 ZINC000309897277 411446979 /nfs/dbraw/zinc/44/69/79/411446979.db2.gz GITBCNCQQQOPCG-DTWKUNHWSA-N 1 0 224.308 0.646 10 0 BCAERO CC(C)C[C@@H]([NH3+])C(=O)NCCCn1ccnn1 ZINC000127129680 411470591 /nfs/dbraw/zinc/47/05/91/411470591.db2.gz MWWSKEWJQRIOIG-SNVBAGLBSA-N 1 0 239.323 0.158 10 0 BCAERO CC[C@@H]1C[C@H]([NH2+]C[C@H]2CN(CC)CCO2)CO1 ZINC000657354199 411474141 /nfs/dbraw/zinc/47/41/41/411474141.db2.gz ZSAKCHPZUJLHKZ-XQQFMLRXSA-N 1 0 242.363 0.864 10 0 BCAERO [NH3+]Cc1cc(C(=O)N[C@@H]2CCC[C@H](O)C2)ccn1 ZINC000130012076 411480062 /nfs/dbraw/zinc/48/00/62/411480062.db2.gz QMXNAHAAHIOPJP-PWSUYJOCSA-N 1 0 249.314 0.574 10 0 BCAERO COC[C@H](C)NC(=O)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000407355220 411480940 /nfs/dbraw/zinc/48/09/40/411480940.db2.gz NYFXKFGKDSECGC-GDPRMGEGSA-N 1 0 226.320 0.668 10 0 BCAERO [NH3+]Cc1cc(C(=O)N[C@H]2CCC[C@H](O)C2)ccn1 ZINC000130012263 411481136 /nfs/dbraw/zinc/48/11/36/411481136.db2.gz QMXNAHAAHIOPJP-JQWIXIFHSA-N 1 0 249.314 0.574 10 0 BCAERO CCN(Cc1noc(C)n1)C1CC[NH2+]CC1 ZINC000037469562 169938821 /nfs/dbraw/zinc/93/88/21/169938821.db2.gz BESYYPJNDSBEHM-UHFFFAOYSA-N 1 0 224.308 0.952 10 0 BCAERO CC[NH+]1CCC(NCC(=O)OC)CC1 ZINC000019885229 169955081 /nfs/dbraw/zinc/95/50/81/169955081.db2.gz IGZUPLALTUJMAR-UHFFFAOYSA-N 1 0 200.282 0.233 10 0 BCAERO Cc1nc(C)c(CNC(=O)C[C@@H](C)[NH3+])o1 ZINC000311709212 411495976 /nfs/dbraw/zinc/49/59/76/411495976.db2.gz UVRJGCFIIJNTNA-ZCFIWIBFSA-N 1 0 211.265 0.645 10 0 BCAERO C[NH2+][C@@H](C)CNC(=O)C1(C)CCOCC1 ZINC000309482936 411498967 /nfs/dbraw/zinc/49/89/67/411498967.db2.gz FEBMWWRAQDTJJE-VIFPVBQESA-N 1 0 214.309 0.527 10 0 BCAERO CC1(C)C[C@@H]([NH2+][C@@H]2CCCNC2=O)CCO1 ZINC000069890755 411506172 /nfs/dbraw/zinc/50/61/72/411506172.db2.gz ZNHIATMNIFUIMY-VHSXEESVSA-N 1 0 226.320 0.812 10 0 BCAERO C[C@@H]1CO[C@@H](C)CN1C(=O)C1([NH3+])CCOCC1 ZINC000127751196 411510904 /nfs/dbraw/zinc/51/09/04/411510904.db2.gz IIDAPZANCSVGQH-ZJUUUORDSA-N 1 0 242.319 0.130 10 0 BCAERO CCN1CC[NH+]([C@H](C)C(N)=S)CC1 ZINC000019935814 169998850 /nfs/dbraw/zinc/99/88/50/169998850.db2.gz XNUPSAXHLVFAEW-MRVPVSSYSA-N 1 0 201.339 0.299 10 0 BCAERO CCN1CC[C@@H]2C[N@H+](C)CCN2C1=S ZINC000005104025 170014324 /nfs/dbraw/zinc/01/43/24/170014324.db2.gz IRTOBNVJOYFVME-SECBINFHSA-N 1 0 213.350 0.613 10 0 BCAERO CC[N@@H+]1C[C@@H](C)[C@H](NCc2nccn2C)C1 ZINC000309644271 170031652 /nfs/dbraw/zinc/03/16/52/170031652.db2.gz LTLHSTSEEHMXBX-GHMZBOCLSA-N 1 0 222.336 0.850 10 0 BCAERO CCN1C[C@H](C)[C@H]([NH2+][C@H](C)CC(N)=O)C1 ZINC000336768884 170039422 /nfs/dbraw/zinc/03/94/22/170039422.db2.gz UOPOMGXNJJWDLX-IVZWLZJFSA-N 1 0 213.325 0.180 10 0 BCAERO CCNC(=O)CC[NH2+][C@H](CO)c1ccccc1 ZINC000063002067 170052859 /nfs/dbraw/zinc/05/28/59/170052859.db2.gz BNAQXGOXWRSZBD-GFCCVEGCSA-N 1 0 236.315 0.836 10 0 BCAERO CCNC(=O)CN(C)[C@H](C[NH3+])c1ccccc1 ZINC000042899349 170055520 /nfs/dbraw/zinc/05/55/20/170055520.db2.gz RTZLLSUKFQCWPK-GFCCVEGCSA-N 1 0 235.331 0.754 10 0 BCAERO CCNC(=O)CN1CCCC[C@H]1[C@@H](C)[NH2+]CC ZINC000104426450 170058581 /nfs/dbraw/zinc/05/85/81/170058581.db2.gz XFQQGPBEAXTYMR-NEPJUHHUSA-N 1 0 241.379 0.975 10 0 BCAERO CCNC(=O)C[NH2+]CCC(=O)N[C@@H](C)CC ZINC000038014790 170064795 /nfs/dbraw/zinc/06/47/95/170064795.db2.gz YYBAIGQDCSXSEB-VIFPVBQESA-N 1 0 229.324 0.017 10 0 BCAERO CCNC(=O)CN[C@H](C)[C@H]1CCC[N@H+](CC)C1 ZINC000036780317 170066191 /nfs/dbraw/zinc/06/61/91/170066191.db2.gz WRHHPGNSXYPULV-NEPJUHHUSA-N 1 0 241.379 0.833 10 0 BCAERO CCNC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000113575550 170075007 /nfs/dbraw/zinc/07/50/07/170075007.db2.gz LAEAVGDYWRNMCV-VHSXEESVSA-N 1 0 211.309 0.884 10 0 BCAERO CCNC(=O)NC(=O)[C@H](C)[NH2+]C(C)C ZINC000020299168 170078440 /nfs/dbraw/zinc/07/84/40/170078440.db2.gz LBCPFOLLOAZCPF-ZETCQYMHSA-N 1 0 201.270 0.219 10 0 BCAERO CCNC(=O)[C@@H](C)N(C)C1CC[NH2+]CC1 ZINC000036301644 170086074 /nfs/dbraw/zinc/08/60/74/170086074.db2.gz JSVKQVVEOHZMRY-SECBINFHSA-N 1 0 213.325 0.195 10 0 BCAERO CCNC(=O)[C@@H](C)NC(=[NH2+])NC1CCCCC1 ZINC000052048787 170086477 /nfs/dbraw/zinc/08/64/77/170086477.db2.gz OBIOFLDZJKGVSV-SECBINFHSA-N 1 0 240.351 0.958 10 0 BCAERO CCNC(=O)[C@@H](C)[NH2+]Cc1ccccc1C(N)=O ZINC000049202332 170088323 /nfs/dbraw/zinc/08/83/23/170088323.db2.gz SZIJOMCREGGPLX-SECBINFHSA-N 1 0 249.314 0.400 10 0 BCAERO CCNC(=O)[C@H](C)[NH2+]CCc1ccco1 ZINC000037977753 170095204 /nfs/dbraw/zinc/09/52/04/170095204.db2.gz QFUWECZYWPWKPT-VIFPVBQESA-N 1 0 210.277 0.936 10 0 BCAERO CCNC(=O)c1cc(N(C)C[C@H](C)[NH3+])ccn1 ZINC000104318309 170100224 /nfs/dbraw/zinc/10/02/24/170100224.db2.gz NEWGLMREEYOFHI-VIFPVBQESA-N 1 0 236.319 0.615 10 0 BCAERO CC[NH2+]C(C)(C)CN1CCS(=O)CC1 ZINC000061299832 170107460 /nfs/dbraw/zinc/10/74/60/170107460.db2.gz KZLUEBRNRSFYSB-UHFFFAOYSA-N 1 0 218.366 0.439 10 0 BCAERO CC[NH2+]C(C)(C)C(=O)N[C@@H]1CCC[C@@H](O)C1 ZINC000061289995 170107854 /nfs/dbraw/zinc/10/78/54/170107854.db2.gz LTUVQRZZHIBSOJ-NXEZZACHSA-N 1 0 228.336 0.794 10 0 BCAERO CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2CC(N)=O ZINC000054601563 170109211 /nfs/dbraw/zinc/10/92/11/170109211.db2.gz YWJDAQCOLRHJST-FGWVZKOKSA-N 1 0 225.336 0.467 10 0 BCAERO CC[NH2+]CC(=O)N1CCO[C@H]2CCC[C@H]21 ZINC000044651659 170109799 /nfs/dbraw/zinc/10/97/99/170109799.db2.gz YHQXXFYQDBGMOV-ZJUUUORDSA-N 1 0 212.293 0.376 10 0 BCAERO CC[NH2+]CCC(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000061278529 170112097 /nfs/dbraw/zinc/11/20/97/170112097.db2.gz AALLJAFDHZBVML-NXEZZACHSA-N 1 0 214.309 0.622 10 0 BCAERO CC[NH2+]CCC(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000061278531 170112118 /nfs/dbraw/zinc/11/21/18/170112118.db2.gz AALLJAFDHZBVML-UWVGGRQHSA-N 1 0 214.309 0.622 10 0 BCAERO CC[NH2+]CCN1C(=O)c2ccccc2C1=O ZINC000042299372 170113401 /nfs/dbraw/zinc/11/34/01/170113401.db2.gz RSCNQDJBFZLIOM-UHFFFAOYSA-N 1 0 218.256 0.892 10 0 BCAERO CC[NH2+]CCNc1ccnc(C(N)=O)c1 ZINC000054267235 170116611 /nfs/dbraw/zinc/11/66/11/170116611.db2.gz WEAMAHLGVYRRIC-UHFFFAOYSA-N 1 0 208.265 0.202 10 0 BCAERO CC[NH2+]CCNc1ncnc2[nH]ccc21 ZINC000238237618 170116857 /nfs/dbraw/zinc/11/68/57/170116857.db2.gz YJORFGVUZOBSHZ-UHFFFAOYSA-N 1 0 205.265 0.979 10 0 BCAERO CC[NH2+]C[C@H](C)C(=O)N(C)CC(=O)NC(C)C ZINC000061235492 170120908 /nfs/dbraw/zinc/12/09/08/170120908.db2.gz SGIFQCLJCIQPHA-JTQLQIEISA-N 1 0 243.351 0.215 10 0 BCAERO CC[NH2+]C[C@H](C)C(=O)Nc1ccc(=O)n(C)c1 ZINC000061234995 170121750 /nfs/dbraw/zinc/12/17/50/170121750.db2.gz NBCJAWIQBAGDIK-VIFPVBQESA-N 1 0 237.303 0.569 10 0 BCAERO CC[NH2+]C[C@H](C)N1CCn2ccnc2C1 ZINC000062325178 170121917 /nfs/dbraw/zinc/12/19/17/170121917.db2.gz HHEBRQMKMUYQLQ-JTQLQIEISA-N 1 0 208.309 0.697 10 0 BCAERO CCN1CC[C@@H]([NH2+][C@H](CO)c2ccccc2)C1=O ZINC000660179402 411552310 /nfs/dbraw/zinc/55/23/10/411552310.db2.gz ZYSOQVYHVOXICH-CHWSQXEVSA-N 1 0 248.326 0.930 10 0 BCAERO CC[NH2+]C[C@]1([C@H]2CCS(=O)(=O)C2)CCOC1 ZINC000054664221 170123853 /nfs/dbraw/zinc/12/38/53/170123853.db2.gz OYRILTORYKSIFQ-WDEREUQCSA-N 1 0 247.360 0.437 10 0 BCAERO CC[NH2+]Cc1cc(F)ccc1N(C)CC(N)=O ZINC000037268891 170125310 /nfs/dbraw/zinc/12/53/10/170125310.db2.gz PRBRUMXDDVJPHG-UHFFFAOYSA-N 1 0 239.294 0.857 10 0 BCAERO CC[NH2+]Cc1cnn(-c2ncccn2)c1 ZINC000040932546 170130713 /nfs/dbraw/zinc/13/07/13/170130713.db2.gz JMKNITVXUXIDKA-UHFFFAOYSA-N 1 0 203.249 0.772 10 0 BCAERO CC[NH2+]Cc1cnc(N2CCNC(=O)C2)s1 ZINC000054901135 170130764 /nfs/dbraw/zinc/13/07/64/170130764.db2.gz QLKLQUWDAPDIQJ-UHFFFAOYSA-N 1 0 240.332 0.189 10 0 BCAERO CC[NH2+]Cc1nnnn1CCOCCC(C)C ZINC000054748129 170131722 /nfs/dbraw/zinc/13/17/22/170131722.db2.gz ORYWKKNLGOWXAL-UHFFFAOYSA-N 1 0 241.339 0.845 10 0 BCAERO CC[NH2+]Cc1nnnn1-c1ccc(F)cc1 ZINC000054744762 170131776 /nfs/dbraw/zinc/13/17/76/170131776.db2.gz WCMWQOLGJUWZCE-UHFFFAOYSA-N 1 0 221.239 0.911 10 0 BCAERO CC[NH2+][C@@H](C)CN1C(=O)CCCCC1=O ZINC000043998972 170139033 /nfs/dbraw/zinc/13/90/33/170139033.db2.gz PFAJAXXTONSCCD-VIFPVBQESA-N 1 0 212.293 0.914 10 0 BCAERO CC[NH2+][C@@H](C)Cc1nc(CCOC)no1 ZINC000061213056 170140405 /nfs/dbraw/zinc/14/04/05/170140405.db2.gz XEAZEQADTGIJPM-QMMMGPOBSA-N 1 0 213.281 0.799 10 0 BCAERO CC[NH2+][C@@H]1CCN(Cc2cnc(C)cn2)C1 ZINC000061321479 170151835 /nfs/dbraw/zinc/15/18/35/170151835.db2.gz JABGCIAVUUBPFO-LLVKDONJSA-N 1 0 220.320 0.969 10 0 BCAERO CC[NH2+][C@@H]1CCC[C@H]1CN1CCS(=O)CC1 ZINC000053873143 170152358 /nfs/dbraw/zinc/15/23/58/170152358.db2.gz ZDXDYIFHSVHRAS-NWDGAFQWSA-N 1 0 244.404 0.829 10 0 BCAERO CC[NH2+][C@@H]1CCOC[C@H]1N1CCCO[C@H](C)C1 ZINC000061917233 170152763 /nfs/dbraw/zinc/15/27/63/170152763.db2.gz SCBIGBDEYFVEJO-JHJVBQTASA-N 1 0 242.363 0.864 10 0 BCAERO CCN[C@@](C)(C[N@@H+]1CCCOCC1)C(=O)OC ZINC000061933623 170155472 /nfs/dbraw/zinc/15/54/72/170155472.db2.gz YJMNRDVRUHTUJZ-LBPRGKRZSA-N 1 0 244.335 0.250 10 0 BCAERO CC[NH2+][C@@]1(C(N)=O)CCc2ccccc21 ZINC000037869512 170155956 /nfs/dbraw/zinc/15/59/56/170155956.db2.gz RPOUNEINTIHYJY-LBPRGKRZSA-N 1 0 204.273 0.923 10 0 BCAERO CC[NH2+][C@H](C(N)=O)c1ccc(OC)c(OC)c1 ZINC000037869643 170156004 /nfs/dbraw/zinc/15/60/04/170156004.db2.gz TWUUGEDYDUEHIC-NSHDSACASA-N 1 0 238.287 0.840 10 0 BCAERO CC[NH2+][C@H](C)CC(=O)N[C@H](C)c1nncn1C ZINC000061270718 170156857 /nfs/dbraw/zinc/15/68/57/170156857.db2.gz MZGJMVQCMUGPKU-RKDXNWHRSA-N 1 0 239.323 0.380 10 0 BCAERO CC[NH2+][C@H](C)CC(=O)N1CCO[C@@H](C)C1 ZINC000061268737 170157124 /nfs/dbraw/zinc/15/71/24/170157124.db2.gz UTRJIWZIPVKTDR-ZJUUUORDSA-N 1 0 214.309 0.622 10 0 BCAERO CC[NH2+][C@H](C)CC(=O)N[C@@H](C)Cn1ccnc1 ZINC000061270002 170157263 /nfs/dbraw/zinc/15/72/63/170157263.db2.gz WOFFEIYCGLEEQJ-MNOVXSKESA-N 1 0 238.335 0.776 10 0 BCAERO CCN[C@H](CC[N@@H+]1CCC[C@H](C)CC1)C(N)=O ZINC000104356410 170161669 /nfs/dbraw/zinc/16/16/69/170161669.db2.gz SFKSWLSIFLPTTL-NWDGAFQWSA-N 1 0 241.379 0.962 10 0 BCAERO CCN[C@H](C[N@@H+]1CCCO[C@H](C)C1)C(=O)OC ZINC000061933291 170162188 /nfs/dbraw/zinc/16/21/88/170162188.db2.gz RPPXBRSFXNKEOR-GHMZBOCLSA-N 1 0 244.335 0.248 10 0 BCAERO CC[NH2+][C@H](CN(C)[C@@H]1CCC[N@H+](C)C1)C(=O)[O-] ZINC000053248354 170162404 /nfs/dbraw/zinc/16/24/04/170162404.db2.gz OFXDIJLZCOOXDX-GHMZBOCLSA-N 1 0 243.351 0.075 10 0 BCAERO CC[NH2+][C@H]1CCN([C@]2(C)CCS(=O)(=O)C2)C1 ZINC000044930962 170167485 /nfs/dbraw/zinc/16/74/85/170167485.db2.gz OBPVNQFVNMEDCG-WDEREUQCSA-N 1 0 246.376 0.247 10 0 BCAERO CC[NH2+][C@H]1CCN(Cc2cnc(C)cn2)C1 ZINC000061321481 170168286 /nfs/dbraw/zinc/16/82/86/170168286.db2.gz JABGCIAVUUBPFO-NSHDSACASA-N 1 0 220.320 0.969 10 0 BCAERO CC[NH2+][C@H]1CCOC[C@H]1N1CCOCC1 ZINC000043808518 170168806 /nfs/dbraw/zinc/16/88/06/170168806.db2.gz XAKAFOTXXVRUJX-WDEREUQCSA-N 1 0 214.309 0.086 10 0 BCAERO CC[NH2+][C@](C)(C(N)=O)c1ccc(O)cc1 ZINC000037447655 170170625 /nfs/dbraw/zinc/17/06/25/170170625.db2.gz OAKACRZGVLOOPK-NSHDSACASA-N 1 0 208.261 0.702 10 0 BCAERO CCNc1nc(N(CC)CC)nc(N)[nH+]1 ZINC000039342915 170176717 /nfs/dbraw/zinc/17/67/17/170176717.db2.gz HLRQQJVMYDZTGW-UHFFFAOYSA-N 1 0 210.285 0.732 10 0 BCAERO CCNc1nc(NN)[nH+]c(SC)n1 ZINC000075601654 170177331 /nfs/dbraw/zinc/17/73/31/170177331.db2.gz KLKVRBSUZMHSCD-UHFFFAOYSA-N 1 0 200.271 0.311 10 0 BCAERO CCOC(=O)CC[N@H+](CC)CC(=O)NC(C)C ZINC000049932552 170204932 /nfs/dbraw/zinc/20/49/32/170204932.db2.gz DIZVAOCHBVVHHI-UHFFFAOYSA-N 1 0 244.335 0.786 10 0 BCAERO CCOC(=O)CC[NH2+]CCC(=O)N[C@@H](C)CC ZINC000038014492 170208887 /nfs/dbraw/zinc/20/88/87/170208887.db2.gz IFSNLAFJMSNVCQ-JTQLQIEISA-N 1 0 244.335 0.834 10 0 BCAERO CCOC(=O)CN(C(=O)[C@@H]1CC[NH2+]C1)C(C)C ZINC000062115511 170212531 /nfs/dbraw/zinc/21/25/31/170212531.db2.gz UWWUMILRFHXESH-SNVBAGLBSA-N 1 0 242.319 0.396 10 0 BCAERO CCOC(=O)CN(C[C@H](C[NH3+])OCC)C1CC1 ZINC000103924341 170217771 /nfs/dbraw/zinc/21/77/71/170217771.db2.gz IPHHWJORMCIWIJ-NSHDSACASA-N 1 0 244.335 0.378 10 0 BCAERO CCOC(=O)CNC(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000070502809 170223925 /nfs/dbraw/zinc/22/39/25/170223925.db2.gz KCXLCGVPWXVHRX-DTWKUNHWSA-N 1 0 228.292 0.183 10 0 BCAERO CCOC(=O)CNC[C@H]1CCC[N@@H+]1CC ZINC000020054478 170225147 /nfs/dbraw/zinc/22/51/47/170225147.db2.gz WCZFTNSTZFRENO-SNVBAGLBSA-N 1 0 214.309 0.623 10 0 BCAERO CCOC(=O)N1CCN(CC[NH2+]C(C)C)CC1 ZINC000049474740 170239708 /nfs/dbraw/zinc/23/97/08/170239708.db2.gz CQLQVXMRCJQNMS-UHFFFAOYSA-N 1 0 243.351 0.759 10 0 BCAERO CCOC(=O)[C@@H](N)C[N@H+](CC)C(C)C ZINC000045383479 170252406 /nfs/dbraw/zinc/25/24/06/170252406.db2.gz ISJFJRYQWKMWOE-VIFPVBQESA-N 1 0 202.298 0.607 10 0 BCAERO CCOC(=O)[C@@H](N)C[N@@H+]1CCC[C@@H]1C ZINC000045367627 170252847 /nfs/dbraw/zinc/25/28/47/170252847.db2.gz JLUJZEMYOPRDET-IUCAKERBSA-N 1 0 200.282 0.361 10 0 BCAERO CCOC(=O)[C@@H](N)C[N@H+](CC)[C@@H](C)CC ZINC000045385043 170253113 /nfs/dbraw/zinc/25/31/13/170253113.db2.gz DCWXKDYDSDIDDM-UWVGGRQHSA-N 1 0 216.325 0.997 10 0 BCAERO CCOC(=O)[C@@H]1CCCCN1C(=O)[C@H]([NH3+])CC ZINC000037825335 170256903 /nfs/dbraw/zinc/25/69/03/170256903.db2.gz ANDTWUFFCIVFRR-ZJUUUORDSA-N 1 0 242.319 0.668 10 0 BCAERO CCOC(=O)[C@@H]1CCCCN1C(=O)C1C[NH2+]C1 ZINC000091410453 170256934 /nfs/dbraw/zinc/25/69/34/170256934.db2.gz WEGYHRUACNEFJW-JTQLQIEISA-N 1 0 240.303 0.150 10 0 BCAERO CCOC(=O)[C@@H]1CCCCN1CCC(N)=O ZINC000060474101 170257238 /nfs/dbraw/zinc/25/72/38/170257238.db2.gz SBMGXBRQEFRIDC-VIFPVBQESA-N 1 0 228.292 0.279 10 0 BCAERO CCOC(=O)[C@@H]1CCCCN1C(=O)CCC[NH3+] ZINC000037825318 170257259 /nfs/dbraw/zinc/25/72/59/170257259.db2.gz SKKRYBKPERUVEK-JTQLQIEISA-N 1 0 242.319 0.670 10 0 BCAERO CCOC(=O)[C@@H]1CCCCN1C(=O)[C@@H](C)[NH3+] ZINC000037825306 170257630 /nfs/dbraw/zinc/25/76/30/170257630.db2.gz CNRWCSCPSUIUSW-BDAKNGLRSA-N 1 0 228.292 0.278 10 0 BCAERO CCOC(=O)[C@H](C)NC(=O)C1CCC([NH3+])CC1 ZINC000049375312 170267801 /nfs/dbraw/zinc/26/78/01/170267801.db2.gz FKGCNJUOPRLCKV-IDKOKCKLSA-N 1 0 242.319 0.572 10 0 BCAERO CCOC(=O)[C@H](C)[C@@H](C)[NH2+]CC(C)(C)O ZINC000309064258 170269674 /nfs/dbraw/zinc/26/96/74/170269674.db2.gz YKGYXRFWHNTROM-RKDXNWHRSA-N 1 0 217.309 0.935 10 0 BCAERO CCOC(=O)[C@H](N)CC[N@H+](CC)C(C)C ZINC000062446008 170273939 /nfs/dbraw/zinc/27/39/39/170273939.db2.gz JMIWXXAJJUPUSE-SNVBAGLBSA-N 1 0 216.325 0.997 10 0 BCAERO CCOC(=O)[C@H]([NH3+])CCn1cc(C)cn1 ZINC000062536040 170275449 /nfs/dbraw/zinc/27/54/49/170275449.db2.gz KGPJOYBUNOJFIY-SECBINFHSA-N 1 0 211.265 0.472 10 0 BCAERO CCOC(=O)[C@H](N)C[N@@H+]1CCC[C@@H](C)C1 ZINC000222909110 170275596 /nfs/dbraw/zinc/27/55/96/170275596.db2.gz FLPNLJNFGPTGTD-NXEZZACHSA-N 1 0 214.309 0.609 10 0 BCAERO CCOC(=O)[C@H]1SC(=[NH2+])N(N)[C@@H]1C ZINC000197888709 170282892 /nfs/dbraw/zinc/28/28/92/170282892.db2.gz FJIZHFAPXZUDEL-UHNVWZDZSA-N 1 0 203.267 0.164 10 0 BCAERO CCOC(=O)c1cc(Cl)nc(C[NH3+])n1 ZINC000095760921 170292101 /nfs/dbraw/zinc/29/21/01/170292101.db2.gz LWHMTJHEUSRPSC-UHFFFAOYSA-N 1 0 215.640 0.765 10 0 BCAERO CCOC(=O)c1cc(OC)nc(C[NH3+])n1 ZINC000095757345 170293306 /nfs/dbraw/zinc/29/33/06/170293306.db2.gz GDKIRUVVMDQQLS-UHFFFAOYSA-N 1 0 211.221 0.121 10 0 BCAERO CCOC(=O)c1cccnc1O[C@H]1CC[NH2+]C1 ZINC000051868120 170299709 /nfs/dbraw/zinc/29/97/09/170299709.db2.gz JRYIXPLABRTIOX-VIFPVBQESA-N 1 0 236.271 0.999 10 0 BCAERO CCOC(=O)c1cccnc1O[C@@H]1CC[NH2+]C1 ZINC000051868118 170299882 /nfs/dbraw/zinc/29/98/82/170299882.db2.gz JRYIXPLABRTIOX-SECBINFHSA-N 1 0 236.271 0.999 10 0 BCAERO CCOCCC(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000061883707 170362322 /nfs/dbraw/zinc/36/23/22/170362322.db2.gz DAJQTMLPSWXJSN-VHSXEESVSA-N 1 0 214.309 0.657 10 0 BCAERO CCOCCCC[NH2+]CCn1cccnc1=O ZINC000053500201 170369927 /nfs/dbraw/zinc/36/99/27/170369927.db2.gz JMYHRVLJIDHMKU-UHFFFAOYSA-N 1 0 239.319 0.650 10 0 BCAERO CCOCCCNC(=O)[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000019507922 170378556 /nfs/dbraw/zinc/37/85/56/170378556.db2.gz MSIPALYPMGQMRQ-GHMZBOCLSA-N 1 0 228.336 0.917 10 0 BCAERO CCOCCC[NH2+][C@H](C)C(=O)NCCCOC ZINC000034938522 170381997 /nfs/dbraw/zinc/38/19/97/170381997.db2.gz DZOPFOBSQFTBCJ-LLVKDONJSA-N 1 0 246.351 0.544 10 0 BCAERO CCOCC[NH2+]CCC(=O)N[C@@H](C)CC ZINC000038014362 170411364 /nfs/dbraw/zinc/41/13/64/170411364.db2.gz HUAOKLJDPVELKS-JTQLQIEISA-N 1 0 216.325 0.917 10 0 BCAERO CC[N@@H+]1CCC[C@@H](Nc2cc(C#N)cnn2)C1 ZINC000396900162 411633280 /nfs/dbraw/zinc/63/32/80/411633280.db2.gz CZKLOZDXHINZAH-LLVKDONJSA-N 1 0 231.303 1.244 10 0 BCAERO CC(C)COC[C@@H](O)C[NH2+]C1CC(CO)C1 ZINC000663374471 411641181 /nfs/dbraw/zinc/64/11/81/411641181.db2.gz LCYQHZSFLYIWDI-MCIGGMRASA-N 1 0 231.336 0.380 10 0 BCAERO CCOCC[C@H](O)C[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000309676617 170428334 /nfs/dbraw/zinc/42/83/34/170428334.db2.gz YAFGXYZXOWDDNA-WOPDTQHZSA-N 1 0 231.336 0.931 10 0 BCAERO CN1C[C@@H](C[NH2+]Cc2ccccn2)CC1=O ZINC000657694762 411581083 /nfs/dbraw/zinc/58/10/83/411581083.db2.gz QKMHOZVXTSCKQZ-SNVBAGLBSA-N 1 0 219.288 0.650 10 0 BCAERO CN1C[C@@H](C[NH2+]Cc2cc[nH]c2)CC1=O ZINC000657696060 411581117 /nfs/dbraw/zinc/58/11/17/411581117.db2.gz GUIOBRQUMZSYGY-SNVBAGLBSA-N 1 0 207.277 0.583 10 0 BCAERO CN1C[C@H](C[NH2+]Cc2ccc(CO)o2)CC1=O ZINC000657696455 411581246 /nfs/dbraw/zinc/58/12/46/411581246.db2.gz JTEMUENHFKDWOI-VIFPVBQESA-N 1 0 238.287 0.340 10 0 BCAERO C=Cn1cc(C[NH2+]C[C@@H]2CC(=O)N(C)C2)cn1 ZINC000657694503 411581275 /nfs/dbraw/zinc/58/12/75/411581275.db2.gz DLHOLEDPIVKBCW-JTQLQIEISA-N 1 0 234.303 0.552 10 0 BCAERO CC(C)=CCC[N@@H+]1CCC[C@](O)(C(N)=O)C1 ZINC000660522948 411595970 /nfs/dbraw/zinc/59/59/70/411595970.db2.gz SXKVLBUNFFNPLJ-GFCCVEGCSA-N 1 0 226.320 0.655 10 0 BCAERO COCCN1CC[C@@H]([NH2+]C2CC(CO)C2)C1 ZINC000657810939 411603070 /nfs/dbraw/zinc/60/30/70/411603070.db2.gz NQULWJMAIKCHGX-MOENNCHZSA-N 1 0 228.336 0.068 10 0 BCAERO CCn1ccnc1C[NH2+]C1CC(CO)C1 ZINC000657812313 411603829 /nfs/dbraw/zinc/60/38/29/411603829.db2.gz HMOSWFFMAYXBCK-UHFFFAOYSA-N 1 0 209.293 0.764 10 0 BCAERO CCN1CC[C@H]([N@@H+]2C[C@H](C)C[C@H](O)C2)C1=O ZINC000660757432 411621005 /nfs/dbraw/zinc/62/10/05/411621005.db2.gz LTZAGAXCCWPXSH-VWYCJHECSA-N 1 0 226.320 0.310 10 0 BCAERO COC[C@H](C[N@@H+]1C[C@H](C)C[C@H](O)C1)OC ZINC000660757502 411621340 /nfs/dbraw/zinc/62/13/40/411621340.db2.gz MLXHKHTVIROCFA-VWYCJHECSA-N 1 0 217.309 0.351 10 0 BCAERO CCO[C@H]1C[C@H]1C(=O)N(C)CC[NH2+]C ZINC000236960839 170511048 /nfs/dbraw/zinc/51/10/48/170511048.db2.gz NLDQVFBUZJLDSF-BDAKNGLRSA-N 1 0 200.282 0.089 10 0 BCAERO O[C@@H]1C[NH2+]C[C@H]1CNc1nc2ccccc2o1 ZINC000420249194 411695415 /nfs/dbraw/zinc/69/54/15/411695415.db2.gz IWNHIUKRIQQILF-WCBMZHEXSA-N 1 0 233.271 0.820 10 0 BCAERO Cc1cnc(NCC[C@@H]2CC[NH2+]C2)nc1C ZINC000386504304 411734236 /nfs/dbraw/zinc/73/42/36/411734236.db2.gz UWMICETYQPHBBK-NSHDSACASA-N 1 0 220.320 1.505 10 0 BCAERO CC[C@@H]1[NH2+]CC[C@H]1Nc1ccc(C(=O)NC)nn1 ZINC000630525339 411742109 /nfs/dbraw/zinc/74/21/09/411742109.db2.gz DHUFYENPWMXTCQ-DTWKUNHWSA-N 1 0 249.318 0.389 10 0 BCAERO CC[C@@H]1[NH2+]CC[C@H]1Nc1ccc2nncn2n1 ZINC000630529864 411743250 /nfs/dbraw/zinc/74/32/50/411743250.db2.gz XKPSQOMTTFLPDK-DTWKUNHWSA-N 1 0 232.291 0.677 10 0 BCAERO Cc1nc(NC2CC[NH2+]CC2)ccc1C#N ZINC000380691362 411747912 /nfs/dbraw/zinc/74/79/12/411747912.db2.gz IUVAZINAELZAMV-UHFFFAOYSA-N 1 0 216.288 1.426 10 0 BCAERO CO[C@]1(CO)CCC[N@H+](CC2(O)CCC2)C1 ZINC000661390446 411754336 /nfs/dbraw/zinc/75/43/36/411754336.db2.gz VFDMWAZRXDPZOB-GFCCVEGCSA-N 1 0 229.320 0.375 10 0 BCAERO CCc1csc(NC[C@@H]2C[NH2+]C[C@@H]2O)n1 ZINC000420237959 411782923 /nfs/dbraw/zinc/78/29/23/411782923.db2.gz IIDCGHGEHLTGMP-CBAPKCEASA-N 1 0 227.333 0.698 10 0 BCAERO CCc1ncnc(NCCOCC[NH2+]C)c1F ZINC000630531666 411788375 /nfs/dbraw/zinc/78/83/75/411788375.db2.gz YDEDRNDXPIMDCT-UHFFFAOYSA-N 1 0 242.298 0.826 10 0 BCAERO CCOc1nccnc1NC[C@H]([NH3+])C(C)C ZINC000570786350 411719866 /nfs/dbraw/zinc/71/98/66/411719866.db2.gz RONCZYAPCRRMJT-VIFPVBQESA-N 1 0 224.308 1.271 10 0 BCAERO C[C@H](C(=O)NC[C@H]1C[NH2+]C[C@@H]1O)C(C)(C)C ZINC000262348061 487620655 /nfs/dbraw/zinc/62/06/55/487620655.db2.gz UFQDSCLZQNVVON-BBBLOLIVSA-N 1 0 228.336 0.365 10 0 BCAERO CC(C)[N@@H+]1CCN[C@H](c2cc(N)n[nH]2)C1 ZINC000616632447 411865504 /nfs/dbraw/zinc/86/55/04/411865504.db2.gz JBVTUSABQMIUMR-VIFPVBQESA-N 1 0 209.297 0.347 10 0 BCAERO CCn1ccnc(N[C@@H]2CC[C@@H](C)[NH2+]C2)c1=O ZINC000630533052 411813145 /nfs/dbraw/zinc/81/31/45/411813145.db2.gz NFPDWTLEGBPDGZ-NXEZZACHSA-N 1 0 236.319 0.816 10 0 BCAERO CC(C)[N@@H+]1CCOC[C@@H](c2cc(N)n[nH]2)C1 ZINC000616660662 411865570 /nfs/dbraw/zinc/86/55/70/411865570.db2.gz NCLOGUCDSQQGBG-VIFPVBQESA-N 1 0 224.308 0.816 10 0 BCAERO COc1ncccc1C(=O)NC[C@H]1CC[NH2+]C1 ZINC000133592869 411845614 /nfs/dbraw/zinc/84/56/14/411845614.db2.gz UNZCJBDZMLJIJN-VIFPVBQESA-N 1 0 235.287 0.430 10 0 BCAERO C[C@]1(C(=O)N[C@H]2CCC[C@@H](O)C2)CCC[NH2+]C1 ZINC000219719895 411868216 /nfs/dbraw/zinc/86/82/16/411868216.db2.gz KLIMAWNZFGTSKG-LOWVWBTDSA-N 1 0 240.347 0.796 10 0 BCAERO CC[C@@H](C)[NH2+]CC(=O)N1CCOC[C@H]1C ZINC000037479787 170750668 /nfs/dbraw/zinc/75/06/68/170750668.db2.gz ADBGKDYQICRDFX-NXEZZACHSA-N 1 0 214.309 0.622 10 0 BCAERO C[C@]1(C(=O)N[C@@H]2CCC[C@@H](O)C2)CCC[NH2+]C1 ZINC000219719749 411868019 /nfs/dbraw/zinc/86/80/19/411868019.db2.gz KLIMAWNZFGTSKG-WZRBSPASSA-N 1 0 240.347 0.796 10 0 BCAERO C[N@@H+]1CCOC[C@H](c2ccnc(N)c2)C1 ZINC000616661057 411896330 /nfs/dbraw/zinc/89/63/30/411896330.db2.gz ZVWSOIZJTLJTDF-SNVBAGLBSA-N 1 0 207.277 0.709 10 0 BCAERO CC[C@@H](CO)[NH2+]Cc1ccc(C(N)=O)cc1F ZINC000035603914 170839581 /nfs/dbraw/zinc/83/95/81/170839581.db2.gz ZEJKOMNHSVQRAD-JTQLQIEISA-N 1 0 240.278 0.785 10 0 BCAERO CC(C)[N@@H+]1CCOC[C@H](c2c[nH]nc2N)C1 ZINC000616659233 411872721 /nfs/dbraw/zinc/87/27/21/411872721.db2.gz IBMJQSQNGIKYJC-SECBINFHSA-N 1 0 224.308 0.816 10 0 BCAERO CC(C)[N@@H+]1CCOC[C@H](n2ccc(N)n2)C1 ZINC000616658110 411872739 /nfs/dbraw/zinc/87/27/39/411872739.db2.gz BLVVBUZKELUESE-SNVBAGLBSA-N 1 0 224.308 0.747 10 0 BCAERO CC[C@@H]([NH3+])Cc1noc([C@@H]2CCOC2)n1 ZINC000054184894 170867368 /nfs/dbraw/zinc/86/73/68/170867368.db2.gz YTAUHTUTUDLMOE-HTQZYQBOSA-N 1 0 211.265 0.853 10 0 BCAERO Nc1ccc(C(=O)N2CCC[C@H]2C[NH3+])cn1 ZINC000637858083 411977462 /nfs/dbraw/zinc/97/74/62/411977462.db2.gz UZABKIQCQRBJSI-VIFPVBQESA-N 1 0 220.276 0.227 10 0 BCAERO C[NH2+]C[C@H](C)C(=O)N[C@@H]1CCC[C@@H](O)C1 ZINC000219923753 411983214 /nfs/dbraw/zinc/98/32/14/411983214.db2.gz IMSSWYMNWWWJOZ-IVZWLZJFSA-N 1 0 214.309 0.262 10 0 BCAERO C[NH2+]C[C@H](C)C(=O)N[C@H]1CCC[C@@H](O)C1 ZINC000219923824 411983396 /nfs/dbraw/zinc/98/33/96/411983396.db2.gz IMSSWYMNWWWJOZ-LPEHRKFASA-N 1 0 214.309 0.262 10 0 BCAERO Nc1cc([C@@H]2C[N@H+](CCO)CCCO2)ccn1 ZINC000616680194 411946667 /nfs/dbraw/zinc/94/66/67/411946667.db2.gz OWRHUXPSZWDAAB-NSHDSACASA-N 1 0 237.303 0.420 10 0 BCAERO Cc1c[nH+]ccc1NC[C@@H]1CC(=O)N(C)C1 ZINC000664456427 411963565 /nfs/dbraw/zinc/96/35/65/411963565.db2.gz KZVPYGNHAJSASH-JTQLQIEISA-N 1 0 219.288 0.702 10 0 BCAERO c1cn2c(n1)CN(C[C@@H]1CCC3(C[NH2+]C3)O1)CC2 ZINC000662260125 412054091 /nfs/dbraw/zinc/05/40/91/412054091.db2.gz HYPQIHHKEQQTFA-NSHDSACASA-N 1 0 248.330 0.220 10 0 BCAERO CC[C@@H]1CC[C@H](C)N1C(=O)[C@@H]([NH3+])COC ZINC000224194720 171051463 /nfs/dbraw/zinc/05/14/63/171051463.db2.gz QOLWBNNHDDOBHR-AEJSXWLSSA-N 1 0 214.309 0.750 10 0 BCAERO CC[C@@H]1CC[C@H](O)[C@H](C[NH+](CCO)CCO)C1 ZINC000053884722 171057393 /nfs/dbraw/zinc/05/73/93/171057393.db2.gz RBLPSMFPRBJLAO-AGIUHOORSA-N 1 0 245.363 0.460 10 0 BCAERO CC[C@@H]1CN(C(=O)[C@@H]([NH3+])C(C)(C)C)CCN1C ZINC000104138674 171066694 /nfs/dbraw/zinc/06/66/94/171066694.db2.gz SXFAWMHLQNHBCI-GHMZBOCLSA-N 1 0 241.379 0.912 10 0 BCAERO CC[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C[NH3+])O2)CCO1 ZINC000094565293 171067884 /nfs/dbraw/zinc/06/78/84/171067884.db2.gz IHFJOJYKGDVDLS-MXWKQRLJSA-N 1 0 242.319 0.130 10 0 BCAERO CC[C@@H]1CN(C(=O)[C@](C)([NH3+])C2CC2)CCO1 ZINC000037479028 171068948 /nfs/dbraw/zinc/06/89/48/171068948.db2.gz URXCXHGXTPHFNX-ZYHUDNBSSA-N 1 0 226.320 0.751 10 0 BCAERO CC[C@@H]1C[N@H+](CC(C)(C)O)CCN1CCOC ZINC000105903076 171076688 /nfs/dbraw/zinc/07/66/88/171076688.db2.gz HKLXCRZEVNNJDX-GFCCVEGCSA-N 1 0 244.379 0.800 10 0 BCAERO CC[C@@H]1CN(CCOC)CC[N@@H+]1CCOC ZINC000105836568 171081622 /nfs/dbraw/zinc/08/16/22/171081622.db2.gz CNMFWIZFZZOYDL-GFCCVEGCSA-N 1 0 230.352 0.675 10 0 BCAERO CC[C@@H]1C[N@H+](C[C@@H](C)C(=O)OC)CCO1 ZINC000036770247 171083489 /nfs/dbraw/zinc/08/34/89/171083489.db2.gz HHVQUQDGPQFZEI-NXEZZACHSA-N 1 0 215.293 0.906 10 0 BCAERO CC[C@@H]1CN[C@@H](C)C[N@@H+]1C(C)(C)CO ZINC000083343502 171102182 /nfs/dbraw/zinc/10/21/82/171102182.db2.gz ZIIVCVWFTADDEK-VHSXEESVSA-N 1 0 200.326 0.830 10 0 BCAERO CC[C@@H]1COCCN1C(=O)[C@H]([NH3+])CC(C)C ZINC000036326662 171104088 /nfs/dbraw/zinc/10/40/88/171104088.db2.gz APPMSXLBQYGHLK-GHMZBOCLSA-N 1 0 228.336 0.997 10 0 BCAERO CC[C@@H]1CSC(NCC(=O)N(C)C)=N1 ZINC000035295349 171113723 /nfs/dbraw/zinc/11/37/23/171113723.db2.gz RPNJCYSVHULXGC-SSDOTTSWSA-N 1 0 215.322 0.546 10 0 BCAERO CC[C@@H]1CSC(N[C@@H]2CCCNC2=O)=N1 ZINC000050396859 171113847 /nfs/dbraw/zinc/11/38/47/171113847.db2.gz IVHQHDYOQFWTJV-HTQZYQBOSA-N 1 0 227.333 0.736 10 0 BCAERO CC[C@@](C(N)=O)(C(C)C)N1CCC[NH2+]CC1 ZINC000037943732 171162576 /nfs/dbraw/zinc/16/25/76/171162576.db2.gz GTMLFBNLQXHGDM-LBPRGKRZSA-N 1 0 227.352 0.572 10 0 BCAERO CC[C@@](C)(O)C[N@@H+]1C[C@H](O)C(C)(C)C1 ZINC000307366029 171180680 /nfs/dbraw/zinc/18/06/80/171180680.db2.gz MOSNENYMDVKUOU-GXSJLCMTSA-N 1 0 201.310 0.850 10 0 BCAERO CC[C@@]1(C(=O)N2CCCC[C@@H]2CO)CC[NH2+]C1 ZINC000062891023 171195060 /nfs/dbraw/zinc/19/50/60/171195060.db2.gz XSRWOAVVZILHGJ-DGCLKSJQSA-N 1 0 240.347 0.750 10 0 BCAERO CC[C@@]1(C(=O)N2CCC(CO)CC2)CC[NH2+]C1 ZINC000062890161 171195241 /nfs/dbraw/zinc/19/52/41/171195241.db2.gz YRXOVROJZZRTOV-CYBMUJFWSA-N 1 0 240.347 0.607 10 0 BCAERO CC[C@@]1(C(=O)N[C@@H](C)CO)CCC[NH2+]C1 ZINC000062853653 171195456 /nfs/dbraw/zinc/19/54/56/171195456.db2.gz XFDRILKXOQNRMR-GXSJLCMTSA-N 1 0 214.309 0.263 10 0 BCAERO CC[C@@]1(C(=O)NC[C@H]2CCOC2)CCC[NH2+]1 ZINC000128880392 171195482 /nfs/dbraw/zinc/19/54/82/171195482.db2.gz YMSDTWIIQHJANN-PWSUYJOCSA-N 1 0 226.320 0.671 10 0 BCAERO CC[C@@]1(C)NC(=O)N(C[C@H]2CCC[NH2+]2)C1=O ZINC000043495906 171209834 /nfs/dbraw/zinc/20/98/34/171209834.db2.gz CJTUGNNAHKIUDG-LDYMZIIASA-N 1 0 225.292 0.459 10 0 BCAERO CC[C@H](C(N)=O)N1C[C@H](C)[C@H]([NH+](C)C)C1 ZINC000124876240 171245479 /nfs/dbraw/zinc/24/54/79/171245479.db2.gz KEMFMNAFWQIBOQ-IVZWLZJFSA-N 1 0 213.325 0.132 10 0 BCAERO C([C@@H]1C[C@H]2C[C@H]2C1)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000662283146 412074706 /nfs/dbraw/zinc/07/47/06/412074706.db2.gz LUYJPGDLCYVXEY-FPYNETTCSA-N 1 0 222.332 0.705 10 0 BCAERO CC[C@H](C)CN(C)C(=O)N1CC[NH2+]CC1 ZINC000037172795 171269772 /nfs/dbraw/zinc/26/97/72/171269772.db2.gz ZUZZKMMIDIVPAV-JTQLQIEISA-N 1 0 213.325 0.990 10 0 BCAERO CC[C@H](C)C[N@@H+]1CCC[C@](O)(C(N)=O)C1 ZINC000375522266 171280181 /nfs/dbraw/zinc/28/01/81/171280181.db2.gz GNXPWROYYMRAAR-GXSJLCMTSA-N 1 0 214.309 0.345 10 0 BCAERO CC[C@H](C)C[N@@H+]1CCC[C@@](O)(C(N)=O)C1 ZINC000375522269 171281754 /nfs/dbraw/zinc/28/17/54/171281754.db2.gz GNXPWROYYMRAAR-ONGXEEELSA-N 1 0 214.309 0.345 10 0 BCAERO CC[C@H](C)[N@@H+]1CC(C)(C)NC[C@@H]1CO ZINC000062568703 171318069 /nfs/dbraw/zinc/31/80/69/171318069.db2.gz HTOFGFMNQCOVOL-VHSXEESVSA-N 1 0 200.326 0.830 10 0 BCAERO CC[C@H](C)N1CCN(C(=O)C(C)(C)[NH3+])CC1 ZINC000055077683 171319542 /nfs/dbraw/zinc/31/95/42/171319542.db2.gz KPRGRBCOGMOIRE-JTQLQIEISA-N 1 0 227.352 0.666 10 0 BCAERO CC[C@H](C)NC(=O)[C@H](C)[NH2+]CC(=O)NC(C)C ZINC000035207158 171335200 /nfs/dbraw/zinc/33/52/00/171335200.db2.gz IYDHPHAGFOHEJG-UWVGGRQHSA-N 1 0 243.351 0.404 10 0 BCAERO CC[C@H](C)[NH2+]CC(=O)N1CCC(O)CC1 ZINC000037479678 171339652 /nfs/dbraw/zinc/33/96/52/171339652.db2.gz XKGVNZQTMBYONC-VIFPVBQESA-N 1 0 214.309 0.358 10 0 BCAERO CC[C@H](C)[NH2+]CC(=O)NCc1c[nH]nc1C ZINC000038012136 171339905 /nfs/dbraw/zinc/33/99/05/171339905.db2.gz NFEVWEHBHRJENK-QMMMGPOBSA-N 1 0 224.308 0.722 10 0 BCAERO CC[C@H](C)NS(=O)(=O)c1cc[nH+]c(NN)c1 ZINC000038008889 171345193 /nfs/dbraw/zinc/34/51/93/171345193.db2.gz KYQRXAHCLZKAML-ZETCQYMHSA-N 1 0 244.320 0.444 10 0 BCAERO CC[C@H](C)[C@@H]([NH3+])C(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000247331718 171369703 /nfs/dbraw/zinc/36/97/03/171369703.db2.gz VCRPGQDGARYNCS-LPEHRKFASA-N 1 0 213.325 0.180 10 0 BCAERO CC[C@H](C)[C@@H]([NH3+])C(=O)NCCSCCCO ZINC000182495866 171370666 /nfs/dbraw/zinc/37/06/66/171370666.db2.gz JKMILMWVTXXZFD-VHSXEESVSA-N 1 0 248.392 0.592 10 0 BCAERO CC[C@H](C)[C@@H]([NH3+])C(=O)NCc1cn[nH]c1 ZINC000038006629 171371089 /nfs/dbraw/zinc/37/10/89/171371089.db2.gz QVPTZCFAXVZJSK-IONNQARKSA-N 1 0 210.281 0.399 10 0 BCAERO CC[C@H](C)[C@@H]([NH3+])C(=O)NCCn1cnnc1C ZINC000237073137 171371201 /nfs/dbraw/zinc/37/12/01/171371201.db2.gz GBUMSTHOOLYMLI-WCBMZHEXSA-N 1 0 239.323 0.076 10 0 BCAERO CC[C@H](C)[C@H]([NH3+])C(=O)N(CC(N)=O)CC(C)C ZINC000037818946 171393984 /nfs/dbraw/zinc/39/39/84/171393984.db2.gz FSMYAPFWXWNGKU-ONGXEEELSA-N 1 0 243.351 0.330 10 0 BCAERO CC[C@H](C)[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NC ZINC000042273628 171394096 /nfs/dbraw/zinc/39/40/96/171394096.db2.gz JYZCTXHPKPVXQW-GUBZILKMSA-N 1 0 241.335 0.097 10 0 BCAERO CC[C@H](C)[C@H]([NH3+])C(=O)N1CCC[C@@H]1C(=O)NC ZINC000037826680 171394786 /nfs/dbraw/zinc/39/47/86/171394786.db2.gz JYZCTXHPKPVXQW-AEJSXWLSSA-N 1 0 241.335 0.097 10 0 BCAERO CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@H](O)C1CC1 ZINC000070889747 171395302 /nfs/dbraw/zinc/39/53/02/171395302.db2.gz ZSSRILBODFVCOH-HGNGGELXSA-N 1 0 214.309 0.247 10 0 BCAERO CCc1nnc(CN2CC3CC2(C[NH3+])C3)n1C ZINC000662307142 412093310 /nfs/dbraw/zinc/09/33/10/412093310.db2.gz WKSRSPBUVQLYSN-UHFFFAOYSA-N 1 0 235.335 0.301 10 0 BCAERO CC[C@H](C[NH3+])C(=O)N1CCCO[C@@H](C)C1 ZINC000061918795 171430335 /nfs/dbraw/zinc/43/03/35/171430335.db2.gz JDVSUNXXDYTJKF-VHSXEESVSA-N 1 0 214.309 0.609 10 0 BCAERO CC[C@H]([NH2+]C)C(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000662342526 412109916 /nfs/dbraw/zinc/10/99/16/412109916.db2.gz HRMBEZNFGGFJLY-GUBZILKMSA-N 1 0 214.309 0.620 10 0 BCAERO CC[C@@H]([NH2+]C)C(=O)N[C@H]1CCCOC1 ZINC000662448041 412177429 /nfs/dbraw/zinc/17/74/29/412177429.db2.gz FJAIXRWOILGWEF-DTWKUNHWSA-N 1 0 200.282 0.280 10 0 BCAERO C[C@@H](O)CCNC(=O)C1([NH3+])CC2(CCC2)C1 ZINC000662472018 412188266 /nfs/dbraw/zinc/18/82/66/412188266.db2.gz SQSYJPUOIOACFI-SECBINFHSA-N 1 0 226.320 0.535 10 0 BCAERO CN(C)c1nccc(N[C@@H]2CC[C@H](C[NH3+])C2)n1 ZINC000382408880 412200253 /nfs/dbraw/zinc/20/02/53/412200253.db2.gz CNSBVZUKQDLONI-VHSXEESVSA-N 1 0 235.335 1.082 10 0 BCAERO CC[C@H]([NH2+]C)C(=O)N[C@@H]1CCO[C@H]1C ZINC000662510047 412200572 /nfs/dbraw/zinc/20/05/72/412200572.db2.gz BUIJEWPZNXQTHK-XHNCKOQMSA-N 1 0 200.282 0.278 10 0 BCAERO [NH3+]C[C@H]1CCCN1C(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC000662426138 412165259 /nfs/dbraw/zinc/16/52/59/412165259.db2.gz SZQIDBIICIJXLK-VPOLOUISSA-N 1 0 208.305 0.982 10 0 BCAERO OC[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)C1CCC1 ZINC000665235736 412173925 /nfs/dbraw/zinc/17/39/25/412173925.db2.gz ZDFCPDVCGKFBAL-NEPJUHHUSA-N 1 0 212.337 0.879 10 0 BCAERO COC[C@H]([NH3+])C(=O)NC[C@@H]1CCC[C@H](C)O1 ZINC000662667907 412265573 /nfs/dbraw/zinc/26/55/73/412265573.db2.gz ZNJXBFQMHBASKU-GUBZILKMSA-N 1 0 230.308 0.034 10 0 BCAERO C[C@H]1[NH2+]CCC[C@H]1Nc1ccc(C#N)nn1 ZINC000396990702 412272685 /nfs/dbraw/zinc/27/26/85/412272685.db2.gz BYLFDBXWXGVFSH-PSASIEDQSA-N 1 0 217.276 0.901 10 0 BCAERO C[C@]1(CNc2ccc(C#N)nn2)CCC[NH2+]C1 ZINC000396967163 412276700 /nfs/dbraw/zinc/27/67/00/412276700.db2.gz JTUPZEKTDNENFM-LBPRGKRZSA-N 1 0 231.303 1.150 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)N1CC[C@@H]2COC[C@H]2C1 ZINC000662710119 412279011 /nfs/dbraw/zinc/27/90/11/412279011.db2.gz GQYVGJMGDAESLG-IJLUTSLNSA-N 1 0 240.347 0.855 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC[C@H]2COC[C@H]2C1 ZINC000662711809 412279373 /nfs/dbraw/zinc/27/93/73/412279373.db2.gz PAIBMZQHGWNSTK-WRWGMCAJSA-N 1 0 238.331 0.337 10 0 BCAERO COC[C@@H]([NH3+])C(=O)NC[C@H](OC)C1CCCC1 ZINC000662713216 412279583 /nfs/dbraw/zinc/27/95/83/412279583.db2.gz VUJKUMJJNHCGIA-MNOVXSKESA-N 1 0 244.335 0.282 10 0 BCAERO [NH3+][C@@H]1CC[C@H](C(=O)N2CC[C@H]3COC[C@H]3C2)C1 ZINC000662711559 412280104 /nfs/dbraw/zinc/28/01/04/412280104.db2.gz OOEUHVUOCSMFDE-NNYUYHANSA-N 1 0 238.331 0.609 10 0 BCAERO C[NH2+][C@@H](C)CNC(=O)[C@H](OC)C1CCC1 ZINC000662559727 412218999 /nfs/dbraw/zinc/21/89/99/412218999.db2.gz DPZLBWKUCJBJKQ-WCBMZHEXSA-N 1 0 214.309 0.526 10 0 BCAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)[C@@H]1CCC[C@H]2C[C@H]21 ZINC000662563743 412220094 /nfs/dbraw/zinc/22/00/94/412220094.db2.gz RPXTVJMLCDEEFA-HGCLJGPKSA-N 1 0 238.331 0.119 10 0 BCAERO CC[C@H](NC(=O)[C@H]1C[C@@H](OC)C[NH2+]1)C(C)C ZINC000218887294 412220498 /nfs/dbraw/zinc/22/04/98/412220498.db2.gz WTRALYFGHUHFFJ-OUAUKWLOSA-N 1 0 228.336 0.914 10 0 BCAERO C[C@H](Nc1ccc(C#N)nn1)[C@@H]1CCC[NH2+]C1 ZINC000396900041 412240405 /nfs/dbraw/zinc/24/04/05/412240405.db2.gz XDRMFOFZPQXMLT-VHSXEESVSA-N 1 0 231.303 1.148 10 0 BCAERO C[C@@H](CCNC(=O)[C@@H]1CC(F)(F)CN1)[NH+](C)C ZINC000662635047 412251215 /nfs/dbraw/zinc/25/12/15/412251215.db2.gz UMYLPPCCWJNAPM-IUCAKERBSA-N 1 0 249.305 0.440 10 0 BCAERO CC[C@H]1CN(C(=O)[C@H]([NH3+])C(C)(C)C)CCO1 ZINC000077488207 171652148 /nfs/dbraw/zinc/65/21/48/171652148.db2.gz SFQDUGIAKPCPCS-UWVGGRQHSA-N 1 0 228.336 0.997 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)NCCOCCF ZINC000663003095 412366386 /nfs/dbraw/zinc/36/63/86/412366386.db2.gz JPUVJCOSHNXZRW-UWVGGRQHSA-N 1 0 232.299 0.464 10 0 BCAERO CC[C@H](C)[C@@H]([NH3+])C(=O)NCCOCCF ZINC000663002683 412366561 /nfs/dbraw/zinc/36/65/61/412366561.db2.gz GWZILPNREJNOGP-DTWKUNHWSA-N 1 0 220.288 0.462 10 0 BCAERO [NH3+][C@@H]1CC[C@H](C(=O)N[C@H](CO)C2CCC2)C1 ZINC000662848535 412321138 /nfs/dbraw/zinc/32/11/38/412321138.db2.gz BSODINOUSSFVOF-HBNTYKKESA-N 1 0 226.320 0.391 10 0 BCAERO C[C@@]1(C(=O)N[C@@H](CO)C2CCC2)CCCC[NH2+]1 ZINC000662852432 412323000 /nfs/dbraw/zinc/32/30/00/412323000.db2.gz KGTWGPJHSZZMRW-AAEUAGOBSA-N 1 0 240.347 0.796 10 0 BCAERO CC[C@H]1CSC(NC[C@@H]2COCCO2)=[NH+]1 ZINC000038062794 171675576 /nfs/dbraw/zinc/67/55/76/171675576.db2.gz CKWZIHKCWJKSOP-DTWKUNHWSA-N 1 0 230.333 0.873 10 0 BCAERO O=C(NCCc1ccoc1)[C@@H]1C[NH2+]CCOC1 ZINC000662871004 412329893 /nfs/dbraw/zinc/32/98/93/412329893.db2.gz FVVQAZYTBYJDAG-LLVKDONJSA-N 1 0 238.287 0.174 10 0 BCAERO C[C@]1(CNC(=O)[C@@H]2C[NH2+]CCOC2)CC1(F)F ZINC000662875395 412332479 /nfs/dbraw/zinc/33/24/79/412332479.db2.gz ORGXOSKUPGRVPS-PSASIEDQSA-N 1 0 248.273 0.384 10 0 BCAERO CN1C[C@H](CNC(=O)CCC(C)(C)[NH3+])CC1=O ZINC000662887563 412335913 /nfs/dbraw/zinc/33/59/13/412335913.db2.gz ZYNBQEGYXSYXGS-VIFPVBQESA-N 1 0 241.335 0.098 10 0 BCAERO COC(=O)c1ccc(N[C@H](C)CCC[NH3+])nn1 ZINC000336727078 412344505 /nfs/dbraw/zinc/34/45/05/412344505.db2.gz VXMBSKLIZTVSQU-MRVPVSSYSA-N 1 0 238.291 0.803 10 0 BCAERO COC[C@@H]([NH3+])C(=O)NC(C)(C1CC1)C1CC1 ZINC000662915334 412345171 /nfs/dbraw/zinc/34/51/71/412345171.db2.gz LAYOVDWPKCKWKA-SNVBAGLBSA-N 1 0 226.320 0.655 10 0 BCAERO CCOCC(=O)N(C)[C@@H](C[NH3+])C(F)(F)F ZINC000662976865 412354488 /nfs/dbraw/zinc/35/44/88/412354488.db2.gz RHKIKMMJETWFFI-LURJTMIESA-N 1 0 228.214 0.371 10 0 BCAERO CN(C(=O)[C@H]1CCCO1)[C@@H](C[NH3+])C(F)(F)F ZINC000662978687 412361387 /nfs/dbraw/zinc/36/13/87/412361387.db2.gz RKKSFOBBEINTCO-RQJHMYQMSA-N 1 0 240.225 0.513 10 0 BCAERO COCCCC(=O)N(C)[C@@H](C[NH3+])C(F)(F)F ZINC000662980292 412362609 /nfs/dbraw/zinc/36/26/09/412362609.db2.gz PAXSZFRVHBEZCI-ZETCQYMHSA-N 1 0 242.241 0.761 10 0 BCAERO [NH3+]C1(CNc2ncnc3[nH]ccc32)CCC1 ZINC000420236253 412296728 /nfs/dbraw/zinc/29/67/28/412296728.db2.gz ZXMWGOBXHBPQOF-UHFFFAOYSA-N 1 0 217.276 1.251 10 0 BCAERO C[NH2+][C@@H](C)CNC(=O)c1c(Cl)cnn1C ZINC000662775343 412299333 /nfs/dbraw/zinc/29/93/33/412299333.db2.gz XTAVLQIBLMWMNZ-LURJTMIESA-N 1 0 230.699 0.411 10 0 BCAERO Cc1cc(C#N)cc(NC[C@@H]2C[NH2+]CCCO2)n1 ZINC000389894731 412301926 /nfs/dbraw/zinc/30/19/26/412301926.db2.gz LQBYCFLXKZICFQ-LBPRGKRZSA-N 1 0 246.314 1.052 10 0 BCAERO Cc1cc(N2CCO[C@@H]([C@@H](C)[NH3+])C2)nc(C)n1 ZINC000132992922 412385045 /nfs/dbraw/zinc/38/50/45/412385045.db2.gz KKINFMHLDANQFY-MWLCHTKSSA-N 1 0 236.319 0.646 10 0 BCAERO Cc1cnc(NCC23CC(C2)C[NH2+]3)nc1 ZINC000663274963 412405769 /nfs/dbraw/zinc/40/57/69/412405769.db2.gz XDHUPSCZCMFZLD-UHFFFAOYSA-N 1 0 204.277 0.949 10 0 BCAERO CC(C)[C@H]([NH3+])CCNc1ccc2nncn2n1 ZINC000663276346 412406214 /nfs/dbraw/zinc/40/62/14/412406214.db2.gz SRDBBAMGMILWKS-SECBINFHSA-N 1 0 234.307 0.910 10 0 BCAERO C[NH2+]C[C@@H](C)Nc1ccc2nccnc2n1 ZINC000663279623 412408278 /nfs/dbraw/zinc/40/82/78/412408278.db2.gz SXEHYGSKFBBDLC-MRVPVSSYSA-N 1 0 217.276 0.418 10 0 BCAERO CCc1ncnc(N(C)C2C[NH2+]C2)c1F ZINC000234163622 172030824 /nfs/dbraw/zinc/03/08/24/172030824.db2.gz VUYRHHXNEBIPLP-UHFFFAOYSA-N 1 0 210.256 0.586 10 0 BCAERO CCc1ncnc(N2C[C@H]([NH3+])[C@@H](C)C2)c1F ZINC000234183126 172031694 /nfs/dbraw/zinc/03/16/94/172031694.db2.gz XWQPLOXQAOAWEM-YUMQZZPRSA-N 1 0 224.283 0.962 10 0 BCAERO CCc1nnc(NC(=O)[C@@H]2C[NH2+]C[C@H]2C)s1 ZINC000227419881 172057217 /nfs/dbraw/zinc/05/72/17/172057217.db2.gz XYWVWGAVYQJBFP-RNFRBKRXSA-N 1 0 240.332 0.895 10 0 BCAERO Cc1noc(CCNC(=O)C[C@@H]([NH3+])C(C)C)n1 ZINC000225810486 487624040 /nfs/dbraw/zinc/62/40/40/487624040.db2.gz RYIFQPPBOGBASH-SECBINFHSA-N 1 0 240.307 0.410 10 0 BCAERO CCc1nsc(N2C[C@H]([NH3+])[C@@H](C)C2)n1 ZINC000234169389 172105880 /nfs/dbraw/zinc/10/58/80/172105880.db2.gz MGXYFTQUNYQZAA-BQBZGAKWSA-N 1 0 212.322 0.884 10 0 BCAERO CCn1cc(-c2ccnc(NCC[NH3+])n2)cn1 ZINC000002538454 172149130 /nfs/dbraw/zinc/14/91/30/172149130.db2.gz BXGOEYBXWGELRH-UHFFFAOYSA-N 1 0 232.291 0.731 10 0 BCAERO CCn1cc(-c2nnc(CC[NH3+])o2)cn1 ZINC000095938254 172149982 /nfs/dbraw/zinc/14/99/82/172149982.db2.gz FVRSUENORQHXNX-UHFFFAOYSA-N 1 0 207.237 0.454 10 0 BCAERO CCn1cc(C[N@@H+]2C[C@@H](OC)C[C@@H]2CO)cn1 ZINC000344098816 172167569 /nfs/dbraw/zinc/16/75/69/172167569.db2.gz HOGLZMXYGHCBPQ-NEPJUHHUSA-N 1 0 239.319 0.485 10 0 BCAERO CCn1cc(C[NH2+][C@@H]2CCC(=O)N[C@H]2C)cn1 ZINC000282224000 172174471 /nfs/dbraw/zinc/17/44/71/172174471.db2.gz FCLPGJCJWPSVCC-GXSJLCMTSA-N 1 0 236.319 0.660 10 0 BCAERO CCn1cc(N)cc1C(=O)N[C@H]1CC[N@H+](C)C1 ZINC000042543613 172178369 /nfs/dbraw/zinc/17/83/69/172178369.db2.gz SLEDGZGRMMFQJZ-JTQLQIEISA-N 1 0 236.319 0.524 10 0 BCAERO CCn1cccc1C[NH2+]CCS(=O)(=O)NC ZINC000230983476 172207381 /nfs/dbraw/zinc/20/73/81/172207381.db2.gz MGOHIINGTHHWOV-UHFFFAOYSA-N 1 0 245.348 0.147 10 0 BCAERO CCn1cccc1C[NH2+]C[C@H]1CN(C)CCO1 ZINC000091667251 172207739 /nfs/dbraw/zinc/20/77/39/172207739.db2.gz FXFHXWJXSAGQNU-ZDUSSCGKSA-N 1 0 237.347 0.928 10 0 BCAERO CCn1ccnc(N2CC[C@](C)(C[NH3+])C2)c1=O ZINC000234213761 172210980 /nfs/dbraw/zinc/21/09/80/172210980.db2.gz FNKMFJVWUCBQLO-GFCCVEGCSA-N 1 0 236.319 0.438 10 0 BCAERO CCn1ccnc(NC[C@@H]2CCC[NH2+]2)c1=O ZINC000061768365 172212331 /nfs/dbraw/zinc/21/23/31/172212331.db2.gz MFMGFJFIJNYNQI-VIFPVBQESA-N 1 0 222.292 0.427 10 0 BCAERO CCn1ccnc(N[C@H]2CC[N@H+](C)C2)c1=O ZINC000061764652 172213923 /nfs/dbraw/zinc/21/39/23/172213923.db2.gz YZVCTXDKEUHBLL-VIFPVBQESA-N 1 0 222.292 0.379 10 0 BCAERO CCn1ccnc(O[C@@H]2CC[NH2+]C2)c1=O ZINC000061771594 172214145 /nfs/dbraw/zinc/21/41/45/172214145.db2.gz JPYPSGJSOGTMQP-MRVPVSSYSA-N 1 0 209.249 0.004 10 0 BCAERO CN(C(=O)C1=COCCO1)C1CC[NH2+]CC1 ZINC000036282940 172296631 /nfs/dbraw/zinc/29/66/31/172296631.db2.gz RSXUOBUPUHXENC-UHFFFAOYSA-N 1 0 226.276 0.085 10 0 BCAERO CN(C(=O)C[NH2+][C@@H]1CCN2CCC[C@H]12)C1CC1 ZINC000049567424 172309418 /nfs/dbraw/zinc/30/94/18/172309418.db2.gz LKUMPFDDEKGMLM-VXGBXAGGSA-N 1 0 237.347 0.434 10 0 BCAERO CN(C(=O)CN1CC[C@@H]([NH3+])C1)C1=CCCC1 ZINC000050242999 172309488 /nfs/dbraw/zinc/30/94/88/172309488.db2.gz VSKLPLLWVZYPOF-SNVBAGLBSA-N 1 0 223.320 0.546 10 0 BCAERO CN(C(=O)C[NH2+][C@H]1CN2CCC1CC2)C1CC1 ZINC000049304690 172310668 /nfs/dbraw/zinc/31/06/68/172310668.db2.gz OGEUXMGLKGESLQ-LBPRGKRZSA-N 1 0 237.347 0.291 10 0 BCAERO CN(C(=O)CSC(C)(C)C)[C@H]1C[NH2+]C[C@@H]1O ZINC000077539268 172312096 /nfs/dbraw/zinc/31/20/96/172312096.db2.gz ZXMMSMWCRHRFFR-IUCAKERBSA-N 1 0 246.376 0.309 10 0 BCAERO CN(C(=O)N1CCOCC1)C(C)(C)C[NH3+] ZINC000082642851 172317269 /nfs/dbraw/zinc/31/72/69/172317269.db2.gz TUKOAOUTRPVGJK-UHFFFAOYSA-N 1 0 215.297 0.108 10 0 BCAERO CN(C(=O)[C@@H]1CCCCO1)[C@H]1CCC[NH2+]C1 ZINC000050959938 172326374 /nfs/dbraw/zinc/32/63/74/172326374.db2.gz ROYYMAPRCVFGLD-QWRGUYRKSA-N 1 0 226.320 0.766 10 0 BCAERO CN(C(=O)[C@@H]1CCC[C@H]1[NH3+])[C@@H]1CCOC1 ZINC000226508651 172327616 /nfs/dbraw/zinc/32/76/16/172327616.db2.gz NKFDGYIMORBZHT-OPRDCNLKSA-N 1 0 212.293 0.361 10 0 BCAERO CN(C(=O)[C@@H]1CCCO1)[C@H]1CCC[NH2+]C1 ZINC000037470141 172327671 /nfs/dbraw/zinc/32/76/71/172327671.db2.gz JBLDEPQXOXQGPE-UWVGGRQHSA-N 1 0 212.293 0.376 10 0 BCAERO CN(C(=O)[C@@H]1CC[NH2+]C1)[C@H]1CCSC1 ZINC000062112738 172328461 /nfs/dbraw/zinc/32/84/61/172328461.db2.gz MDIINLQJYAEMAG-BDAKNGLRSA-N 1 0 214.334 0.560 10 0 BCAERO CN(C(=O)[C@@H]1CCOc2ccccc21)C1C[NH2+]C1 ZINC000090289816 172329195 /nfs/dbraw/zinc/32/91/95/172329195.db2.gz MZFVRKNOFMQQIT-GFCCVEGCSA-N 1 0 246.310 0.983 10 0 BCAERO CN(C(=O)[C@@H]1CC[C@@H]([NH3+])C1)[C@H]1CCOC1 ZINC000228084238 172329353 /nfs/dbraw/zinc/32/93/53/172329353.db2.gz WAHOPIGKOQRCLP-BBBLOLIVSA-N 1 0 212.293 0.361 10 0 BCAERO CN(C(=O)[C@H]1CCC[NH2+]C1)[C@@H]1CCOC1 ZINC000133814772 172333367 /nfs/dbraw/zinc/33/33/67/172333367.db2.gz HRKUPXKUAXHWCJ-VHSXEESVSA-N 1 0 212.293 0.233 10 0 BCAERO CN(C(=O)c1ccnn1C)[C@@H]1CCC[NH2+]C1 ZINC000061665402 172344227 /nfs/dbraw/zinc/34/42/27/172344227.db2.gz XDJLOFOWMFLWJM-SECBINFHSA-N 1 0 222.292 0.244 10 0 BCAERO CN(C)C(=O)CN(C)c1cc(C[NH3+])ccn1 ZINC000037269548 172363359 /nfs/dbraw/zinc/36/33/59/172363359.db2.gz RODRYLJPMSXDJJ-UHFFFAOYSA-N 1 0 222.292 0.065 10 0 BCAERO CN(C)C(=O)CN1CCC([NH2+]C2CCC2)CC1 ZINC000052208117 172363843 /nfs/dbraw/zinc/36/38/43/172363843.db2.gz FLSIGCUHCVGTMS-UHFFFAOYSA-N 1 0 239.363 0.681 10 0 BCAERO CN(C)C(=O)C[NH2+][C@@H]1CCCCC[C@H]1O ZINC000037886638 172369986 /nfs/dbraw/zinc/36/99/86/172369986.db2.gz LKSURRHVEXGGQG-NXEZZACHSA-N 1 0 214.309 0.358 10 0 BCAERO CN(C)C(=O)C[NH2+]CCc1cccs1 ZINC000020052941 172370418 /nfs/dbraw/zinc/37/04/18/172370418.db2.gz UMYUGBFVHARFLE-UHFFFAOYSA-N 1 0 212.318 0.968 10 0 BCAERO CN(C)C(=O)COC[C@@H]1CCCC[NH2+]1 ZINC000051815996 172372506 /nfs/dbraw/zinc/37/25/06/172372506.db2.gz IJONJXJGSAYHFO-VIFPVBQESA-N 1 0 200.282 0.233 10 0 BCAERO CN(C)C(=O)COC[C@H]1CCCC[NH2+]1 ZINC000051815997 172373221 /nfs/dbraw/zinc/37/32/21/172373221.db2.gz IJONJXJGSAYHFO-SECBINFHSA-N 1 0 200.282 0.233 10 0 BCAERO C[NH+](C)C(C)(C)CNC(=O)c1ccnc(N)c1 ZINC000050710828 172395327 /nfs/dbraw/zinc/39/53/27/172395327.db2.gz AXFHHEDIEHKOKQ-UHFFFAOYSA-N 1 0 236.319 0.734 10 0 BCAERO C[NH+](C)CCCCNC(=O)c1cc(N)ccn1 ZINC000050708510 172429539 /nfs/dbraw/zinc/42/95/39/172429539.db2.gz ZLVKDQLCMZAZGD-UHFFFAOYSA-N 1 0 236.319 0.735 10 0 BCAERO Cn1cc([C@H](CNc2ncccn2)[NH+](C)C)cn1 ZINC000301302360 172522611 /nfs/dbraw/zinc/52/26/11/172522611.db2.gz VYBTXCLYVRBFLY-NSHDSACASA-N 1 0 246.318 0.925 10 0 BCAERO Cn1nncc1C(=O)N[C@H]1CC[C@H]([NH+](C)C)C1 ZINC000337155784 172542077 /nfs/dbraw/zinc/54/20/77/172542077.db2.gz PCHLDHBMVWVMRJ-IUCAKERBSA-N 1 0 237.307 0.028 10 0 BCAERO CN(C1CC1)S(=O)(=O)C[C@H]1CCCC[NH2+]1 ZINC000049631017 172593356 /nfs/dbraw/zinc/59/33/56/172593356.db2.gz PNWNUVLGHUBWPJ-SECBINFHSA-N 1 0 232.349 0.553 10 0 BCAERO CN(CC[NH3+])C(=O)Cc1ccc(O)cc1 ZINC000054417695 172732241 /nfs/dbraw/zinc/73/22/41/172732241.db2.gz IIHVEDJPBXADHK-UHFFFAOYSA-N 1 0 208.261 0.352 10 0 BCAERO CN(CCOCC[NH3+])C(=O)OC(C)(C)C ZINC000082368333 172766686 /nfs/dbraw/zinc/76/66/86/172766686.db2.gz NAOJUCBTEYZBEI-UHFFFAOYSA-N 1 0 218.297 0.829 10 0 BCAERO CN(CCS(C)(=O)=O)c1cc[nH+]cc1N ZINC000042141204 172774432 /nfs/dbraw/zinc/77/44/32/172774432.db2.gz BSRRSBYWMAIQMJ-UHFFFAOYSA-N 1 0 229.305 0.145 10 0 BCAERO CN(c1cc(Cl)ncn1)[C@@H]1CC[NH2+]C1 ZINC000095070543 172945084 /nfs/dbraw/zinc/94/50/84/172945084.db2.gz WFDXDMOQSSVIJE-SSDOTTSWSA-N 1 0 212.684 0.928 10 0 BCAERO C[NH+]1CCC(Oc2ncc(N)cn2)CC1 ZINC000041018652 172999720 /nfs/dbraw/zinc/99/97/20/172999720.db2.gz FDHIEWWMYYDSKF-UHFFFAOYSA-N 1 0 208.265 0.532 10 0 BCAERO CN1CCCC[C@@H]1C[NH2+]C(C)(C)C(N)=O ZINC000054243468 173003893 /nfs/dbraw/zinc/00/38/93/173003893.db2.gz HKVSFHNYIRHJLU-SECBINFHSA-N 1 0 213.325 0.324 10 0 BCAERO C[N@@H+]1CCCC[C@@H]1CNCc1cc[nH]n1 ZINC000044561277 173003960 /nfs/dbraw/zinc/00/39/60/173003960.db2.gz VGTQAFHGCROMSI-LLVKDONJSA-N 1 0 208.309 0.984 10 0 BCAERO C[N@@H+]1CCCC[C@@H]1CNC(=O)c1c[nH]nc1N ZINC000044565971 173005891 /nfs/dbraw/zinc/00/58/91/173005891.db2.gz FSURVNKNWHIDDB-MRVPVSSYSA-N 1 0 237.307 0.206 10 0 BCAERO Cn1cnnc1CNC[C@H]1CCCC[N@@H+]1C ZINC000054243277 173005940 /nfs/dbraw/zinc/00/59/40/173005940.db2.gz MUJQZFVAOBEPFR-SNVBAGLBSA-N 1 0 223.324 0.389 10 0 BCAERO CN1CCCC[C@H]1C[NH2+][C@@H]1CCCNC1=O ZINC000054243854 173010013 /nfs/dbraw/zinc/01/00/13/173010013.db2.gz XSMAKMYJVNOYDX-WDEREUQCSA-N 1 0 225.336 0.339 10 0 BCAERO C[N@@H+]1CCC[C@@H]2CCC[C@@H](S(N)(=O)=O)[C@@H]21 ZINC000095829153 173036803 /nfs/dbraw/zinc/03/68/03/173036803.db2.gz IPFPZBGJFVSRDN-IVZWLZJFSA-N 1 0 232.349 0.538 10 0 BCAERO C[N@@H+]1CCC[C@@H]2CCC[C@H](S(N)(=O)=O)[C@H]21 ZINC000238853193 173037505 /nfs/dbraw/zinc/03/75/05/173037505.db2.gz IPFPZBGJFVSRDN-GUBZILKMSA-N 1 0 232.349 0.538 10 0 BCAERO C[N@@H+]1CCC[C@H](CNC(=O)c2c[nH]nc2N)C1 ZINC000044560234 173040875 /nfs/dbraw/zinc/04/08/75/173040875.db2.gz YBOLEHKEYZXVGS-MRVPVSSYSA-N 1 0 237.307 0.064 10 0 BCAERO CN1CCC[C@H](C[NH2+][C@@H]2CCS(=O)(=O)C2)C1 ZINC000044535890 173041921 /nfs/dbraw/zinc/04/19/21/173041921.db2.gz PQIMBEQYKKRWGW-GHMZBOCLSA-N 1 0 246.376 0.105 10 0 BCAERO CN(C(=O)[C@@H]1CSCN1)[C@H]1CCC[N@H+](C)C1 ZINC000053245671 173043324 /nfs/dbraw/zinc/04/33/24/173043324.db2.gz RXAQAYXSUZNLLF-UWVGGRQHSA-N 1 0 243.376 0.202 10 0 BCAERO CN(c1ncc(N)cn1)[C@H]1CCC[N@H+](C)C1 ZINC000053205850 173044275 /nfs/dbraw/zinc/04/42/75/173044275.db2.gz HDSQNPKEKYCDNO-JTQLQIEISA-N 1 0 221.308 0.589 10 0 BCAERO C[N@@H+]1CCC[C@H](Nc2ncc(N)cn2)C1 ZINC000040715824 173045588 /nfs/dbraw/zinc/04/55/88/173045588.db2.gz QSUKGDXSMONCCX-VIFPVBQESA-N 1 0 207.281 0.565 10 0 BCAERO CN1CCC[C@H]([NH2+]Cc2ccncn2)C1 ZINC000054789758 173046627 /nfs/dbraw/zinc/04/66/27/173046627.db2.gz TVEZYPLYVPKMCZ-NSHDSACASA-N 1 0 206.293 0.660 10 0 BCAERO CN1CCN(C(=O)Cc2ccc(C[NH3+])cc2)CC1 ZINC000104110591 173067236 /nfs/dbraw/zinc/06/72/36/173067236.db2.gz YTZDXWQIDLJVAS-UHFFFAOYSA-N 1 0 247.342 0.462 10 0 BCAERO CN1CCN(C(=O)C[C@H]2CCC[NH2+]C2)CC1 ZINC000054290450 173067309 /nfs/dbraw/zinc/06/73/09/173067309.db2.gz ZSHYBHJXNCEKBY-LLVKDONJSA-N 1 0 225.336 0.150 10 0 BCAERO C[NH+]1CCN(CCOC(=O)c2cccnc2)CC1 ZINC000019368511 173082536 /nfs/dbraw/zinc/08/25/36/173082536.db2.gz AHZSSXUYQJAKTA-UHFFFAOYSA-N 1 0 249.314 0.486 10 0 BCAERO CN1CCN(CC[C@H]2CCC[NH2+]C2)C1=O ZINC000052885872 173082616 /nfs/dbraw/zinc/08/26/16/173082616.db2.gz WQSCXOAYELWYHE-SNVBAGLBSA-N 1 0 211.309 0.744 10 0 BCAERO C[NH+]1CCN(C[C@H](O)c2cccc(N)c2)CC1 ZINC000019731537 173086105 /nfs/dbraw/zinc/08/61/05/173086105.db2.gz PSJOGGVORZROLL-ZDUSSCGKSA-N 1 0 235.331 0.550 10 0 BCAERO CN1CCN(Cc2occc2C[NH3+])CC1 ZINC000052379347 173091444 /nfs/dbraw/zinc/09/14/44/173091444.db2.gz PUQFJPNIWMMLHU-UHFFFAOYSA-N 1 0 209.293 0.486 10 0 BCAERO CN1CCO[C@@H](C[NH2+]Cc2ccncc2)C1 ZINC000082432935 173102368 /nfs/dbraw/zinc/10/23/68/173102368.db2.gz MYBPAVYRQUSWGY-LBPRGKRZSA-N 1 0 221.304 0.502 10 0 BCAERO CN(C[C@@H]1CC[N@H+](C)C1)C(=O)c1ccc(N)nc1 ZINC000071193148 173111529 /nfs/dbraw/zinc/11/15/29/173111529.db2.gz FOTMSCHSBRERHV-SNVBAGLBSA-N 1 0 248.330 0.688 10 0 BCAERO CN(C[C@@H]1CC[N@H+](C)C1)C(=O)c1ncccc1O ZINC000071190584 173113334 /nfs/dbraw/zinc/11/33/34/173113334.db2.gz NOHNMTKEKXXXSY-SNVBAGLBSA-N 1 0 249.314 0.811 10 0 BCAERO Cn1cc(CNC[C@@H]2CC[N@H+](C)C2)cn1 ZINC000037484780 173118048 /nfs/dbraw/zinc/11/80/48/173118048.db2.gz JITNHFXJHFBTSX-JTQLQIEISA-N 1 0 208.309 0.461 10 0 BCAERO CN1CC[C@@H]([NH3+])C[C@@H]1CNC(=O)OC(C)(C)C ZINC000096986187 173120296 /nfs/dbraw/zinc/12/02/96/173120296.db2.gz WAFAMYZWUZONFY-NXEZZACHSA-N 1 0 243.351 0.933 10 0 BCAERO C[N@@H+]1CC[C@@H](NC(=O)c2cc(N)ccn2)C1 ZINC000050709109 173121256 /nfs/dbraw/zinc/12/12/56/173121256.db2.gz PSCNNDXAMCSTBL-SECBINFHSA-N 1 0 220.276 0.098 10 0 BCAERO CN1CC[C@@H]([NH2+]C[C@H](O)COC2CCCC2)C1 ZINC000042546512 173123373 /nfs/dbraw/zinc/12/33/73/173123373.db2.gz UJOQISSNIBAPCS-NEPJUHHUSA-N 1 0 242.363 0.600 10 0 BCAERO CN1CC[C@@H]([NH2+]CCC(=O)N2CCCC2)C1 ZINC000061984758 173124089 /nfs/dbraw/zinc/12/40/89/173124089.db2.gz KFFICHDEFGYZSH-LLVKDONJSA-N 1 0 225.336 0.293 10 0 BCAERO C[N@@H+]1CC[C@@H](Nc2ccc(C(N)=S)cn2)C1 ZINC000042549324 173125202 /nfs/dbraw/zinc/12/52/02/173125202.db2.gz XODKWPUJPWDHAB-SECBINFHSA-N 1 0 236.344 0.832 10 0 BCAERO C[N@@H+]1CC[C@@H](Nc2ccnc(C(N)=O)c2)C1 ZINC000042548090 173125585 /nfs/dbraw/zinc/12/55/85/173125585.db2.gz SREBSHVIXYNPJN-SECBINFHSA-N 1 0 220.276 0.297 10 0 BCAERO CN(Cc1cscn1)[C@]1(C[NH3+])CCN(C)C1 ZINC000061990700 173135748 /nfs/dbraw/zinc/13/57/48/173135748.db2.gz ZLLSJQPSYCXJOG-NSHDSACASA-N 1 0 240.376 0.608 10 0 BCAERO CN1CC[C@@](CN)([N@H+](C)CC2CCOCC2)C1 ZINC000104193704 173136250 /nfs/dbraw/zinc/13/62/50/173136250.db2.gz AYTOMBOJNFEWAV-ZDUSSCGKSA-N 1 0 241.379 0.378 10 0 BCAERO Cn1nccc1CNC[C@H]1CC[N@H+](C)C1 ZINC000037484827 173146290 /nfs/dbraw/zinc/14/62/90/173146290.db2.gz VRRBMMFTSGLWRJ-SNVBAGLBSA-N 1 0 208.309 0.461 10 0 BCAERO Cn1cc(CNC[C@H]2CC[N@H+](C)C2)cn1 ZINC000037484781 173146328 /nfs/dbraw/zinc/14/63/28/173146328.db2.gz JITNHFXJHFBTSX-SNVBAGLBSA-N 1 0 208.309 0.461 10 0 BCAERO CN1CC[C@H]([NH+]2CCC(c3cc[nH]n3)CC2)C1=O ZINC000116275282 173150715 /nfs/dbraw/zinc/15/07/15/173150715.db2.gz ZWFZNVNRTGNZPB-LBPRGKRZSA-N 1 0 248.330 0.820 10 0 BCAERO CN1CC[C@H]([NH2+]Cc2ccccc2C(N)=O)C1 ZINC000042547588 173152108 /nfs/dbraw/zinc/15/21/08/173152108.db2.gz WDMZWQWYSORMJD-NSHDSACASA-N 1 0 233.315 0.579 10 0 BCAERO CN1CC[C@H]([NH2+]CCc2nccn2C)C1 ZINC000061989434 173152294 /nfs/dbraw/zinc/15/22/94/173152294.db2.gz ACPHDTXZPHKBAW-JTQLQIEISA-N 1 0 208.309 0.256 10 0 BCAERO C[N@@H+]1CC[C@H](Nc2ccc(C(N)=O)cc2)C1 ZINC000061984583 173154269 /nfs/dbraw/zinc/15/42/69/173154269.db2.gz NCMPTPVJWJNDJV-NSHDSACASA-N 1 0 219.288 0.902 10 0 BCAERO C[N@@H+]1CC[C@H](Nc2ccnc(C(N)=O)c2)C1 ZINC000042548087 173156385 /nfs/dbraw/zinc/15/63/85/173156385.db2.gz SREBSHVIXYNPJN-VIFPVBQESA-N 1 0 220.276 0.297 10 0 BCAERO CN1CC[C@](C[NH3+])(c2cccs2)C1=O ZINC000077304138 173162265 /nfs/dbraw/zinc/16/22/65/173162265.db2.gz FKBXYSXTQMVSTL-JTQLQIEISA-N 1 0 210.302 0.807 10 0 BCAERO C[N@@H+]1CCc2c(CNc3ncccn3)n[nH]c2C1 ZINC000096084116 173168144 /nfs/dbraw/zinc/16/81/44/173168144.db2.gz NBHKCKHTEMKUEU-UHFFFAOYSA-N 1 0 244.302 0.800 10 0 BCAERO CN1C[C@H]([NH2+][C@@H]2[C@@H]3CCO[C@H]3C2(C)C)CC1=O ZINC000310568813 173196075 /nfs/dbraw/zinc/19/60/75/173196075.db2.gz YOEWVYWPWAMOLN-RBLKWDMZSA-N 1 0 238.331 0.620 10 0 BCAERO CNC(=O)C1CCN(C[C@@H]2CCC[NH2+]2)CC1 ZINC000043495658 173223741 /nfs/dbraw/zinc/22/37/41/173223741.db2.gz USQOPKHYWHTBEJ-NSHDSACASA-N 1 0 225.336 0.196 10 0 BCAERO CNC(=O)C1CCN(C[C@H]2CCC[NH2+]2)CC1 ZINC000043495661 173224587 /nfs/dbraw/zinc/22/45/87/173224587.db2.gz USQOPKHYWHTBEJ-LLVKDONJSA-N 1 0 225.336 0.196 10 0 BCAERO CNC(=O)CCNC(=O)[C@H]1CCC[C@H](C[NH3+])C1 ZINC000055162879 173258240 /nfs/dbraw/zinc/25/82/40/173258240.db2.gz HFRIVPDYPRWBPO-UWVGGRQHSA-N 1 0 241.335 0.004 10 0 BCAERO CNC(=O)CN(C)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000040989243 173270497 /nfs/dbraw/zinc/27/04/97/173270497.db2.gz ZBCMLWZUUXEGBI-VHSXEESVSA-N 1 0 213.325 0.324 10 0 BCAERO CNC(=O)C[N@H+](C)Cc1cccc(N)c1C ZINC000035649162 173270661 /nfs/dbraw/zinc/27/06/61/173270661.db2.gz XPSUZYKDNNPTTQ-UHFFFAOYSA-N 1 0 221.304 0.755 10 0 BCAERO CNC(=O)C[N@@H+]1CCC[C@@H]1Cn1ccnc1C ZINC000178297803 173274233 /nfs/dbraw/zinc/27/42/33/173274233.db2.gz FBUKQGNWZNTXKP-LLVKDONJSA-N 1 0 236.319 0.402 10 0 BCAERO CNC(=O)CN1[C@@H]2CCC[C@H]1CC([NH2+]C)C2 ZINC000054601948 173275397 /nfs/dbraw/zinc/27/53/97/173275397.db2.gz CRZQLFGOVWCERK-FGWVZKOKSA-N 1 0 225.336 0.337 10 0 BCAERO CNC(=O)CNCC[NH+](C(C)C)C(C)C ZINC000020039405 173277039 /nfs/dbraw/zinc/27/70/39/173277039.db2.gz AQFVOGTVILHZGM-UHFFFAOYSA-N 1 0 215.341 0.441 10 0 BCAERO CNC(=O)C[NH2+]C[C@@]1(O)CCC[C@@H](C)C1 ZINC000083469534 173277150 /nfs/dbraw/zinc/27/71/50/173277150.db2.gz TXUOIWGPNKKLFL-MWLCHTKSSA-N 1 0 214.309 0.263 10 0 BCAERO CNC(=O)C[NH2+][C@H](C)C(=O)NC1CCCCC1 ZINC000037207082 173278023 /nfs/dbraw/zinc/27/80/23/173278023.db2.gz MUEMLBBTRGSKOA-SECBINFHSA-N 1 0 241.335 0.159 10 0 BCAERO CNC(=O)C[NH2+][C@@H]1CCN(Cc2ccccc2)C1 ZINC000037207573 173278304 /nfs/dbraw/zinc/27/83/04/173278304.db2.gz BLFPGPZWRBRZPF-CYBMUJFWSA-N 1 0 247.342 0.597 10 0 BCAERO CNC(=O)COc1ccc(Cl)cc1C[NH3+] ZINC000036894886 173279296 /nfs/dbraw/zinc/27/92/96/173279296.db2.gz MCKYWHQVOJCGHL-UHFFFAOYSA-N 1 0 228.679 0.924 10 0 BCAERO CNC(=O)NC(=O)[C@@H](C)[NH2+]C1CCCC1 ZINC000020303159 173287936 /nfs/dbraw/zinc/28/79/36/173287936.db2.gz AMWIELMQNHMNOV-SSDOTTSWSA-N 1 0 213.281 0.363 10 0 BCAERO CNC(=O)NC(=O)[C@@H](C)[NH2+]CC(C)(C)C ZINC000040493590 173288135 /nfs/dbraw/zinc/28/81/35/173288135.db2.gz QPJXDNBTFHDYQP-SSDOTTSWSA-N 1 0 215.297 0.466 10 0 BCAERO CNC(=O)NC(=O)[C@@H](C)[NH2+][C@H]1CC1(C)C ZINC000045119670 173288257 /nfs/dbraw/zinc/28/82/57/173288257.db2.gz LWWUJYLUEHHHIL-RQJHMYQMSA-N 1 0 213.281 0.219 10 0 BCAERO CNC(=O)NC(=O)[C@H](C)[NH2+]CCc1ccco1 ZINC000037976012 173288569 /nfs/dbraw/zinc/28/85/69/173288569.db2.gz SIYATJHQVVQPSA-QMMMGPOBSA-N 1 0 239.275 0.256 10 0 BCAERO CNC(=O)[C@@H](C)NC(=O)CC1CCC([NH3+])CC1 ZINC000055140551 173294546 /nfs/dbraw/zinc/29/45/46/173294546.db2.gz NQNQHLKQDLATFL-XNWIYYODSA-N 1 0 241.335 0.145 10 0 BCAERO CNC(=O)[C@@H](C)[NH2+][C@@H](C)C(=O)NC1CCCC1 ZINC000042570107 173295131 /nfs/dbraw/zinc/29/51/31/173295131.db2.gz VAOHJOHNIIAKPW-BDAKNGLRSA-N 1 0 241.335 0.158 10 0 BCAERO CNC(=O)[C@@H](C)[NH2+]CC1(O)CCCCCC1 ZINC000042562606 173295234 /nfs/dbraw/zinc/29/52/34/173295234.db2.gz OWDVWFNDJAVJFW-SNVBAGLBSA-N 1 0 228.336 0.796 10 0 BCAERO CNC(=O)[C@@H](C)[NH2+]C[C@H](O)c1cccc(F)c1 ZINC000042562695 173295348 /nfs/dbraw/zinc/29/53/48/173295348.db2.gz UYKVDHMKLBPPRW-KCJUWKMLSA-N 1 0 240.278 0.583 10 0 BCAERO CNC(=O)[C@@H](C)OC[C@H]1CCCC[NH2+]1 ZINC000051815783 173295899 /nfs/dbraw/zinc/29/58/99/173295899.db2.gz ULWNINFQQIZIIM-RKDXNWHRSA-N 1 0 200.282 0.280 10 0 BCAERO CNC(=O)[C@@H](C)n1c(N)[nH+]c2ccccc21 ZINC000049100239 173296176 /nfs/dbraw/zinc/29/61/76/173296176.db2.gz FLYHJTKRQPDRAY-SSDOTTSWSA-N 1 0 218.260 0.926 10 0 BCAERO CNC(=O)[C@@H]1Cc2c([nH]c3ccccc32)C[NH2+]1 ZINC000073734300 173300038 /nfs/dbraw/zinc/30/00/38/173300038.db2.gz NHZOCYMIGONJLH-NSHDSACASA-N 1 0 229.283 0.928 10 0 BCAERO CNC(=O)[C@@H]1COC[C@H]2C[N@H+](CC(C)C)C[C@H]21 ZINC000096038604 173300361 /nfs/dbraw/zinc/30/03/61/173300361.db2.gz WGIBYGFGLQBBTG-IJLUTSLNSA-N 1 0 240.347 0.583 10 0 BCAERO CNC(=O)[C@H](C)NC(=O)CC1CCC([NH3+])CC1 ZINC000055140550 173301873 /nfs/dbraw/zinc/30/18/73/173301873.db2.gz NQNQHLKQDLATFL-IDKOKCKLSA-N 1 0 241.335 0.145 10 0 BCAERO CNC(=O)[C@H](C)[NH2+]CCc1ccc(OC)cc1 ZINC000020308460 173302692 /nfs/dbraw/zinc/30/26/92/173302692.db2.gz DVVXIRCKNUUBFA-JTQLQIEISA-N 1 0 236.315 0.962 10 0 BCAERO CNC(=O)[C@H](C)[NH2+]C1Cc2ccccc2C1 ZINC000042561445 173302733 /nfs/dbraw/zinc/30/27/33/173302733.db2.gz WXAQITJUYWVFNO-VIFPVBQESA-N 1 0 218.300 0.878 10 0 BCAERO CNC(=O)[C@H](C)[NH2+][C@@H](C)C(=O)NC1CCCC1 ZINC000042570105 173302944 /nfs/dbraw/zinc/30/29/44/173302944.db2.gz VAOHJOHNIIAKPW-IUCAKERBSA-N 1 0 241.335 0.158 10 0 BCAERO CNC(=O)[C@H](C)OCC1CC[NH2+]CC1 ZINC000051814995 173304241 /nfs/dbraw/zinc/30/42/41/173304241.db2.gz NRQIUDZVXWXIBX-QMMMGPOBSA-N 1 0 200.282 0.137 10 0 BCAERO CNC(=O)[C@H]1CCCCN1C(=O)[C@H]([NH3+])C(C)C ZINC000037810764 173306263 /nfs/dbraw/zinc/30/62/63/173306263.db2.gz DSXBRBBISAMTQP-NXEZZACHSA-N 1 0 241.335 0.097 10 0 BCAERO CNC(=O)[C@H]1CCCN1[C@@H](C[NH3+])c1ccccc1 ZINC000042899365 173307932 /nfs/dbraw/zinc/30/79/32/173307932.db2.gz UNILALYOFNXSGK-OLZOCXBDSA-N 1 0 247.342 0.897 10 0 BCAERO CNC(=O)c1cc(C[NH3+])ncc1OC1CC1 ZINC000095727488 173309697 /nfs/dbraw/zinc/30/96/97/173309697.db2.gz QBLFNHXQJOTEGF-UHFFFAOYSA-N 1 0 221.260 0.441 10 0 BCAERO CNC(=O)c1cc(NC2CC([NH3+])C2)ccn1 ZINC000036268765 173309766 /nfs/dbraw/zinc/30/97/66/173309766.db2.gz SVQIFNXLVAYMHV-UHFFFAOYSA-N 1 0 220.276 0.343 10 0 BCAERO C[NH2+]C(C)(C)C(=O)N(C)[C@@H]1CCSC1 ZINC000061300394 173317740 /nfs/dbraw/zinc/31/77/40/173317740.db2.gz FIMOBFKSHAWJSI-MRVPVSSYSA-N 1 0 216.350 0.948 10 0 BCAERO C[NH2+]C(C)(C)C(=O)N1CCCO[C@H](C)C1 ZINC000061920155 173317928 /nfs/dbraw/zinc/31/79/28/173317928.db2.gz LNHINHMKOSTALZ-SECBINFHSA-N 1 0 214.309 0.622 10 0 BCAERO C[NH2+]C(C)(C)C(=O)N1CCC[C@@H](CO)C1 ZINC000061300548 173317932 /nfs/dbraw/zinc/31/79/32/173317932.db2.gz UUXDVLTTZIXIRX-SECBINFHSA-N 1 0 214.309 0.215 10 0 BCAERO C[NH2+]C(C)(C)C(=O)NCc1ccncc1 ZINC000061300320 173318433 /nfs/dbraw/zinc/31/84/33/173318433.db2.gz XNRFZGPGUDPUKQ-UHFFFAOYSA-N 1 0 207.277 0.696 10 0 BCAERO C[NH2+]C(C)(C)C(=O)N[C@@H]1CCC[C@H]1OC ZINC000061319164 173318481 /nfs/dbraw/zinc/31/84/81/173318481.db2.gz WOHOPIXAIWLNQW-RKDXNWHRSA-N 1 0 214.309 0.668 10 0 BCAERO C[NH2+]C(C)(C)C(=O)N[C@@H]1CCC[C@H](O)C1 ZINC000061300594 173318588 /nfs/dbraw/zinc/31/85/88/173318588.db2.gz RLUVNRKXBXNZFH-BDAKNGLRSA-N 1 0 214.309 0.404 10 0 BCAERO C[NH2+]C(C)(C)C(=O)N[C@H]1CCCC[C@@H]1O ZINC000061319257 173318613 /nfs/dbraw/zinc/31/86/13/173318613.db2.gz YOEMFJRQPGKVJU-IUCAKERBSA-N 1 0 214.309 0.404 10 0 BCAERO C[NH2+]C(C)(C)C(=O)NCc1ccccn1 ZINC000061300224 173318703 /nfs/dbraw/zinc/31/87/03/173318703.db2.gz CDGCBSTZEGITJQ-UHFFFAOYSA-N 1 0 207.277 0.696 10 0 BCAERO C[NH2+]C(C)(C)CN(C)[C@H]1CCS(=O)(=O)C1 ZINC000061319620 173319073 /nfs/dbraw/zinc/31/90/73/173319073.db2.gz SIAIXIKCQXNTPB-VIFPVBQESA-N 1 0 234.365 0.103 10 0 BCAERO C[NH2+]C1(CN2CCCC2)CCC(O)CC1 ZINC000039982811 173321507 /nfs/dbraw/zinc/32/15/07/173321507.db2.gz RMIDIDYAYNXTSF-UHFFFAOYSA-N 1 0 212.337 0.975 10 0 BCAERO C[NH2+]C1CCC(N2C(=O)C[C@H](C)C2=O)CC1 ZINC000103378959 173321814 /nfs/dbraw/zinc/32/18/14/173321814.db2.gz KKVCFCSLGKAPMS-IDKOKCKLSA-N 1 0 224.304 0.912 10 0 BCAERO C[NH2+]C1CCC(NC(=O)NC2CC2)CC1 ZINC000054457037 173322087 /nfs/dbraw/zinc/32/20/87/173322087.db2.gz NRGDRHRPEOWTHF-UHFFFAOYSA-N 1 0 211.309 0.979 10 0 BCAERO C[NH2+]C1CCC(NS(=O)(=O)C(F)F)CC1 ZINC000036880786 173322264 /nfs/dbraw/zinc/32/22/64/173322264.db2.gz SHAHXZFYSCGXIE-UHFFFAOYSA-N 1 0 242.291 0.659 10 0 BCAERO C[NH2+]C1CCN(Cc2cnccn2)CC1 ZINC000095071579 173323154 /nfs/dbraw/zinc/32/31/54/173323154.db2.gz FHIAALXMGGPKGQ-UHFFFAOYSA-N 1 0 206.293 0.660 10 0 BCAERO C[NH2+]C1CCN([C@@H]2CCCCNC2=O)CC1 ZINC000037469333 173323696 /nfs/dbraw/zinc/32/36/96/173323696.db2.gz QRJRYUHWNIPGDO-LLVKDONJSA-N 1 0 225.336 0.339 10 0 BCAERO C[NH2+]CC(=O)N(C)Cc1csc(C)n1 ZINC000044609755 173325550 /nfs/dbraw/zinc/32/55/50/173325550.db2.gz GVVWCDIKXHJTRA-UHFFFAOYSA-N 1 0 213.306 0.629 10 0 BCAERO C[NH2+]CC(=O)N1CCC[C@H]1c1ccc[nH]1 ZINC000037819567 173326577 /nfs/dbraw/zinc/32/65/77/173326577.db2.gz WDJIOIIXRAWUPG-JTQLQIEISA-N 1 0 207.277 0.898 10 0 BCAERO C[NH2+]CC(=O)N1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000193132580 173327351 /nfs/dbraw/zinc/32/73/51/173327351.db2.gz NNSICPFDNCZHIQ-MNOVXSKESA-N 1 0 236.319 0.512 10 0 BCAERO C[NH2+]CC(=O)NCCN(C)c1ccc(F)cc1 ZINC000077384727 173329276 /nfs/dbraw/zinc/32/92/76/173329276.db2.gz IBLAMQOSIRECCV-UHFFFAOYSA-N 1 0 239.294 0.598 10 0 BCAERO C[NH2+]CC(=O)NCCCc1ccncc1 ZINC000077300544 173329299 /nfs/dbraw/zinc/32/92/99/173329299.db2.gz VFSNWAZQRHTVEA-UHFFFAOYSA-N 1 0 207.277 0.350 10 0 BCAERO C[NH2+]CC(=O)NCCN(C)c1ccccc1C ZINC000077371426 173329301 /nfs/dbraw/zinc/32/93/01/173329301.db2.gz FJGUPCVYBYJWPP-UHFFFAOYSA-N 1 0 235.331 0.767 10 0 BCAERO C[NH2+]CC(=O)NC[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC000249592138 173330647 /nfs/dbraw/zinc/33/06/47/173330647.db2.gz PGXAITDCOPNSKP-YRGRVCCFSA-N 1 0 230.311 0.908 10 0 BCAERO C[NH2+]CC(=O)N[C@@H](CO)c1ccccc1 ZINC000063003750 173332064 /nfs/dbraw/zinc/33/20/64/173332064.db2.gz OJZWBDLWTOOVPD-JTQLQIEISA-N 1 0 208.261 0.056 10 0 BCAERO C[NH2+]CC(=O)N[C@H]1CCC[C@H]1n1ccnc1 ZINC000037045832 173332484 /nfs/dbraw/zinc/33/24/84/173332484.db2.gz VXMVXISCNPEJSI-VHSXEESVSA-N 1 0 222.292 0.312 10 0 BCAERO C[NH2+]CC(=O)Nc1ccc2n[nH]cc2c1 ZINC000037020170 173333839 /nfs/dbraw/zinc/33/38/39/173333839.db2.gz YGIUODQYDWRPFC-UHFFFAOYSA-N 1 0 204.233 0.721 10 0 BCAERO C[NH2+]CC(=O)Nc1ccccc1S(C)(=O)=O ZINC000035018060 173334841 /nfs/dbraw/zinc/33/48/41/173334841.db2.gz AEYWHGOBACTJFJ-UHFFFAOYSA-N 1 0 242.300 0.248 10 0 BCAERO C[NH2+]CC1(S(C)(=O)=O)CCCCC1 ZINC000053737691 173337737 /nfs/dbraw/zinc/33/77/37/173337737.db2.gz GLIANPWZHVZUCL-UHFFFAOYSA-N 1 0 205.323 0.953 10 0 BCAERO C[NH2+]CC1CCN(c2ncccn2)CC1 ZINC000053664042 173338794 /nfs/dbraw/zinc/33/87/94/173338794.db2.gz YKTQGCCEYLIHAS-UHFFFAOYSA-N 1 0 206.293 0.912 10 0 BCAERO C[NH2+]CCCC(=O)N1[C@H](C)COC[C@H]1C ZINC000237131296 173343627 /nfs/dbraw/zinc/34/36/27/173343627.db2.gz NYVXEBUCNBUEGY-NXEZZACHSA-N 1 0 214.309 0.622 10 0 BCAERO C[NH2+]CCCS(=O)(=O)N(C)C(C)C ZINC000077302325 173349762 /nfs/dbraw/zinc/34/97/62/173349762.db2.gz OIOGWNBHAZZBHY-UHFFFAOYSA-N 1 0 208.327 0.266 10 0 BCAERO C[NH2+]CCCc1nnc2cc(C)ncn21 ZINC000050194657 173351444 /nfs/dbraw/zinc/35/14/44/173351444.db2.gz CMQOSLLVAMXIOB-UHFFFAOYSA-N 1 0 205.265 0.585 10 0 BCAERO C[NH2+]CCN(C)c1nccn(CC(C)C)c1=O ZINC000061772408 173354352 /nfs/dbraw/zinc/35/43/52/173354352.db2.gz FLNZFZZIKYIEIM-UHFFFAOYSA-N 1 0 238.335 0.555 10 0 BCAERO C[NH2+]CCS(=O)(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000049630057 173357430 /nfs/dbraw/zinc/35/74/30/173357430.db2.gz GVKGBMHHKNYNBX-NXEZZACHSA-N 1 0 234.365 0.514 10 0 BCAERO C[NH2+]CCS(=O)(=O)Cc1cccc(F)c1 ZINC000058827209 173357833 /nfs/dbraw/zinc/35/78/33/173357833.db2.gz XEILBZWRKAQURZ-UHFFFAOYSA-N 1 0 231.292 0.960 10 0 BCAERO C[NH2+]CC[C@H](O)CNC(=O)OC(C)(C)C ZINC000039094075 173358961 /nfs/dbraw/zinc/35/89/61/173358961.db2.gz QRIOSGZHERBFMA-QMMMGPOBSA-N 1 0 218.297 0.482 10 0 BCAERO C[NH2+]CCc1nnc([C@H]2CCCOC2)o1 ZINC000062243956 173361774 /nfs/dbraw/zinc/36/17/74/173361774.db2.gz KKXRLAVSTPSXLU-QMMMGPOBSA-N 1 0 211.265 0.726 10 0 BCAERO C[NH2+]CCc1noc(-c2c(C)nn(C)c2C)n1 ZINC000051850597 173361779 /nfs/dbraw/zinc/36/17/79/173361779.db2.gz FXZGVMAUBUWVRO-UHFFFAOYSA-N 1 0 235.291 0.849 10 0 BCAERO C[NH2+]CCn1c(=O)cnc2ccccc21 ZINC000042410105 173361858 /nfs/dbraw/zinc/36/18/58/173361858.db2.gz GGPCLOJNALXJOI-UHFFFAOYSA-N 1 0 203.245 0.616 10 0 BCAERO C[NH2+]C[C@@H](O)CN(C)c1cccc(C(C)=O)c1 ZINC000077372743 173364457 /nfs/dbraw/zinc/36/44/57/173364457.db2.gz KRWYOJWJLJNSQT-CYBMUJFWSA-N 1 0 236.315 0.906 10 0 BCAERO C[NH2+]C[C@@H](O)CN1CCc2ccccc2C1 ZINC000019685160 173364688 /nfs/dbraw/zinc/36/46/88/173364688.db2.gz GUBIEJAOPUWHFA-CYBMUJFWSA-N 1 0 220.316 0.625 10 0 BCAERO C[NH2+]C[C@@H](C)Oc1ncnc2c1cnn2C ZINC000051867285 173365195 /nfs/dbraw/zinc/36/51/95/173365195.db2.gz CZGAKGBRUJTAGV-SSDOTTSWSA-N 1 0 221.264 0.350 10 0 BCAERO C[NH2+]C[C@@H](O)c1cc(O)c(OC)c(O)c1 ZINC000039097345 173365700 /nfs/dbraw/zinc/36/57/00/173365700.db2.gz WOXQOAKTKVVXQH-SECBINFHSA-N 1 0 213.233 0.359 10 0 BCAERO C[NH2+]C[C@@H]1CN(Cc2cccnc2)CCO1 ZINC000071523398 173371431 /nfs/dbraw/zinc/37/14/31/173371431.db2.gz URDXLRPQNAZUMY-GFCCVEGCSA-N 1 0 221.304 0.502 10 0 BCAERO C[NH2+]C[C@@]1(CN2CCOC[C@H]2C)CCOC1 ZINC000051216811 173373125 /nfs/dbraw/zinc/37/31/25/173373125.db2.gz OJTXCVCZEDYCPA-VXGBXAGGSA-N 1 0 228.336 0.333 10 0 BCAERO C[NH2+]C[C@@]1([C@@H]2CCS(=O)(=O)C2)CCCOC1 ZINC000062193603 173373200 /nfs/dbraw/zinc/37/32/00/173373200.db2.gz WJBSWTHBOHCEBU-MNOVXSKESA-N 1 0 247.360 0.437 10 0 BCAERO C[NH2+]C[C@H](C)C(=O)N1[C@H](C)COC[C@@H]1C ZINC000237294054 173373883 /nfs/dbraw/zinc/37/38/83/173373883.db2.gz ZRDRIALLJORKIR-LPEHRKFASA-N 1 0 214.309 0.478 10 0 BCAERO C[NH2+]C[C@H](NC(C)=O)C(=O)NCc1ccccc1 ZINC000029554692 173376117 /nfs/dbraw/zinc/37/61/17/173376117.db2.gz GIYUEBOTOXYJAD-LBPRGKRZSA-N 1 0 249.314 0.027 10 0 BCAERO C[NH2+]C[C@H](O)COc1ccc(F)cc1F ZINC000019864768 173377007 /nfs/dbraw/zinc/37/70/07/173377007.db2.gz LAZHAAYCSMLTTO-QMMMGPOBSA-N 1 0 217.215 0.924 10 0 BCAERO C[NH2+]C[C@H]1CCN(CCS(=O)(=O)C(C)C)C1 ZINC000226420500 173381368 /nfs/dbraw/zinc/38/13/68/173381368.db2.gz VOSDFLZSTKIHCV-LLVKDONJSA-N 1 0 248.392 0.351 10 0 BCAERO C[NH2+]C[C@H]1CN(Cc2cccnc2)CCO1 ZINC000071523399 173382586 /nfs/dbraw/zinc/38/25/86/173382586.db2.gz URDXLRPQNAZUMY-LBPRGKRZSA-N 1 0 221.304 0.502 10 0 BCAERO C[NH2+]Cc1c(-n2cncn2)nc2ccccn21 ZINC000035449749 173384102 /nfs/dbraw/zinc/38/41/02/173384102.db2.gz XASKDGIJCACRDT-UHFFFAOYSA-N 1 0 228.259 0.634 10 0 BCAERO C[NH2+]Cc1c(C)nn(-c2ncccn2)c1C ZINC000040932540 173384112 /nfs/dbraw/zinc/38/41/12/173384112.db2.gz BOBLSTBNGUNZBE-UHFFFAOYSA-N 1 0 217.276 0.999 10 0 BCAERO C[NH2+]Cc1c(C)nn(C)c1N1CCOC[C@@H]1C ZINC000035777702 173384891 /nfs/dbraw/zinc/38/48/91/173384891.db2.gz QUDUSWXDZBKTFZ-VIFPVBQESA-N 1 0 238.335 0.673 10 0 BCAERO C[NH2+]Cc1c(C)nn(CC(=O)N(C)C)c1C ZINC000036868473 173385257 /nfs/dbraw/zinc/38/52/57/173385257.db2.gz ZEZFRYLXCFHWOI-UHFFFAOYSA-N 1 0 224.308 0.308 10 0 BCAERO C[NH2+]Cc1cc(Cn2ccnc2C)on1 ZINC000016943572 173387514 /nfs/dbraw/zinc/38/75/14/173387514.db2.gz KJBAXZFSSHGVJO-UHFFFAOYSA-N 1 0 206.249 0.947 10 0 BCAERO C[NH2+]Cc1ccccc1NS(C)(=O)=O ZINC000036298333 173390513 /nfs/dbraw/zinc/39/05/13/173390513.db2.gz DBHKZRAIKXJANL-UHFFFAOYSA-N 1 0 214.290 0.778 10 0 BCAERO C[NH2+]Cc1cnc(C[C@@H]2CCCO2)nc1 ZINC000054855538 173392030 /nfs/dbraw/zinc/39/20/30/173392030.db2.gz FAAIFWVGQSLYCH-JTQLQIEISA-N 1 0 207.277 0.918 10 0 BCAERO C[NH2+]Cc1cnn([C@]2(C)CCS(=O)(=O)C2)c1 ZINC000040932611 173392920 /nfs/dbraw/zinc/39/29/20/173392920.db2.gz BQUZORCKJXBSLM-SNVBAGLBSA-N 1 0 243.332 0.136 10 0 BCAERO C[NH2+]Cc1cnn([C@H]2CCC[C@@H]2O)c1C ZINC000054599552 173393653 /nfs/dbraw/zinc/39/36/53/173393653.db2.gz DLVPXCBDHXHGBI-QWRGUYRKSA-N 1 0 209.293 0.997 10 0 BCAERO C[NH2+]Cc1nc2cc(S(C)(=O)=O)ccc2[nH]1 ZINC000050227327 173396892 /nfs/dbraw/zinc/39/68/92/173396892.db2.gz OUXDPPNCDSEVGI-UHFFFAOYSA-N 1 0 239.300 0.686 10 0 BCAERO C[NH2+]Cc1nnnn1-c1cccc(C)c1C ZINC000054744435 173398204 /nfs/dbraw/zinc/39/82/04/173398204.db2.gz ILJNLDXEDPKACQ-UHFFFAOYSA-N 1 0 217.276 0.999 10 0 BCAERO C[NH2+]Cc1nnnn1-c1ccccc1F ZINC000054744927 173398685 /nfs/dbraw/zinc/39/86/85/173398685.db2.gz QMEJYXFHZBYRFZ-UHFFFAOYSA-N 1 0 207.212 0.521 10 0 BCAERO C[NH2+]Cc1nnnn1[C@H]1CCC[C@@H]1OC ZINC000054746553 173398868 /nfs/dbraw/zinc/39/88/68/173398868.db2.gz FDOBNEXJVAAOFU-YUMQZZPRSA-N 1 0 211.269 0.133 10 0 BCAERO C[NH2+]Cc1nnnn1[C@@H]1CCC[C@@H]1OC ZINC000054746552 173399088 /nfs/dbraw/zinc/39/90/88/173399088.db2.gz FDOBNEXJVAAOFU-SFYZADRCSA-N 1 0 211.269 0.133 10 0 BCAERO C[NH2+][C@@H]1CCCN(CCn2ccnc2C)C1 ZINC000053204663 173433726 /nfs/dbraw/zinc/43/37/26/173433726.db2.gz BRQPLTSKIDUDSI-GFCCVEGCSA-N 1 0 222.336 0.875 10 0 BCAERO C[NH2+][C@H]1CCCN(Cc2nnc(C)o2)C1 ZINC000053204407 173462048 /nfs/dbraw/zinc/46/20/48/173462048.db2.gz OAULORMYLRRJMT-VIFPVBQESA-N 1 0 210.281 0.562 10 0 BCAERO C[NH2+][C@H]1CCN(CCS(C)(=O)=O)[C@@H](C)C1 ZINC000049713094 173464753 /nfs/dbraw/zinc/46/47/53/173464753.db2.gz LMDLSQPGKBGZCH-UWVGGRQHSA-N 1 0 234.365 0.103 10 0 BCAERO C[NH2+][C@H]1CCN(C[C@@H]2CCCOC2)C1=O ZINC000044982083 173465496 /nfs/dbraw/zinc/46/54/96/173465496.db2.gz SGVHGTXIDXUICS-UWVGGRQHSA-N 1 0 212.293 0.233 10 0 BCAERO C[NH2+][C@](C)(C(N)=O)c1cccc(OC)c1 ZINC000037459042 173469476 /nfs/dbraw/zinc/46/94/76/173469476.db2.gz KQAKLNCODFFQKZ-NSHDSACASA-N 1 0 208.261 0.615 10 0 BCAERO CO[C@H]1C[NH2+][C@@H](C(=O)N2CCC(C)(C)C2)C1 ZINC000087253583 487626634 /nfs/dbraw/zinc/62/66/34/487626634.db2.gz IDXHTNQXJXKJNB-NXEZZACHSA-N 1 0 226.320 0.622 10 0 BCAERO COC(=O)[C@@H]([NH3+])[C@@H]1CCC[C@@H](OC)C1 ZINC000069553369 173705544 /nfs/dbraw/zinc/70/55/44/173705544.db2.gz CDLZCXGMABRRCJ-HLTSFMKQSA-N 1 0 201.266 0.692 10 0 BCAERO COC(=O)[C@H](C)CN1CC[NH2+]C[C@H]1C ZINC000054372004 173767778 /nfs/dbraw/zinc/76/77/78/173767778.db2.gz AAGIJOMZYAGLPT-RKDXNWHRSA-N 1 0 200.282 0.089 10 0 BCAERO COC(=O)c1ccc(NC[C@H]2CCC[NH2+]2)nn1 ZINC000053255404 173885223 /nfs/dbraw/zinc/88/52/23/173885223.db2.gz VNDKTJNAIQPUEJ-MRVPVSSYSA-N 1 0 236.275 0.427 10 0 BCAERO COC(C)(C)[C@H](C)[NH2+]C[C@@H]1CN(C)CCO1 ZINC000301027055 173952936 /nfs/dbraw/zinc/95/29/36/173952936.db2.gz SKJDSTOTFNECOE-WDEREUQCSA-N 1 0 230.352 0.720 10 0 BCAERO COC1(C[NH2+]C[C@@H]2CN(C)CCO2)CCCC1 ZINC000336659900 174002214 /nfs/dbraw/zinc/00/22/14/174002214.db2.gz QLNCGNCXUYZCNH-GFCCVEGCSA-N 1 0 242.363 0.866 10 0 BCAERO COCC1CCN(C(=O)[C@H]2CC[C@H]([NH3+])C2)CC1 ZINC000091547755 174119316 /nfs/dbraw/zinc/11/93/16/174119316.db2.gz QCIGUGVFTBNPMF-RYUDHWBXSA-N 1 0 240.347 0.999 10 0 BCAERO COCCC(=O)N(C)[C@@H]1CCC[NH2+]C1 ZINC000053731136 174122581 /nfs/dbraw/zinc/12/25/81/174122581.db2.gz WPXZSHSRJFAHTG-SECBINFHSA-N 1 0 200.282 0.233 10 0 BCAERO COCCCC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000116789486 174162780 /nfs/dbraw/zinc/16/27/80/174162780.db2.gz MRDAVCJYHFZJIK-LLVKDONJSA-N 1 0 244.335 0.202 10 0 BCAERO COCCC[N@H+](CCCC(=O)OC)CCOC ZINC000042423135 174222006 /nfs/dbraw/zinc/22/20/06/174222006.db2.gz SUJILKVSTDVUTP-UHFFFAOYSA-N 1 0 247.335 0.925 10 0 BCAERO COCCC[N@@H+]1CCO[C@@H](Cn2cccn2)C1 ZINC000105890319 174231742 /nfs/dbraw/zinc/23/17/42/174231742.db2.gz PLBUWRFLSMXHFU-GFCCVEGCSA-N 1 0 239.319 0.620 10 0 BCAERO COCCCNC(=O)CN[C@H](C)CC[NH+](C)C ZINC000049557072 174239338 /nfs/dbraw/zinc/23/93/38/174239338.db2.gz QUUCMKYAYQSHFX-LLVKDONJSA-N 1 0 245.367 0.069 10 0 BCAERO COCCCNC(=O)[C@H](C)[NH2+][C@H](C)COC ZINC000034938792 174244404 /nfs/dbraw/zinc/24/44/04/174244404.db2.gz VIWGMEBBSGNVDF-ZJUUUORDSA-N 1 0 232.324 0.152 10 0 BCAERO COCCN(C(=O)[C@@H](C)C[NH3+])C1CC1 ZINC000044805215 174268227 /nfs/dbraw/zinc/26/82/27/174268227.db2.gz MRSHCLXXOJXLAT-QMMMGPOBSA-N 1 0 200.282 0.219 10 0 BCAERO COCCN(C)C(=O)[C@@H]1[NH2+]CCC[C@@H]1C ZINC000051793456 174272351 /nfs/dbraw/zinc/27/23/51/174272351.db2.gz BTEREJQEODLBAS-VHSXEESVSA-N 1 0 214.309 0.479 10 0 BCAERO COCCN(C)C(=O)[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000042460171 174272449 /nfs/dbraw/zinc/27/24/49/174272449.db2.gz XECMSLCRZUYJQQ-NXEZZACHSA-N 1 0 214.309 0.479 10 0 BCAERO COCCN([C@@H](C[NH3+])C1CCOCC1)C1CC1 ZINC000052177683 174284466 /nfs/dbraw/zinc/28/44/66/174284466.db2.gz DOUMQGPKFZBWMG-ZDUSSCGKSA-N 1 0 242.363 0.851 10 0 BCAERO COCCN(CCOC)C1CC[NH2+]CC1 ZINC000033426856 174296412 /nfs/dbraw/zinc/29/64/12/174296412.db2.gz VYNWLRHEBSDXAK-UHFFFAOYSA-N 1 0 216.325 0.333 10 0 BCAERO COCC[N@H+](C[C@@H](C)C(=O)OC)[C@@H](C)COC ZINC000042608369 174298042 /nfs/dbraw/zinc/29/80/42/174298042.db2.gz PWCUBDFBOFPKCG-MNOVXSKESA-N 1 0 247.335 0.779 10 0 BCAERO COCCN(Cc1ccc(C)cc1)C(=O)C[NH3+] ZINC000032090055 174299496 /nfs/dbraw/zinc/29/94/96/174299496.db2.gz ZDLSXRQCKRUECH-UHFFFAOYSA-N 1 0 236.315 0.929 10 0 BCAERO COCCN([C@@H](C)COC)[C@@H]1COCC[C@@H]1[NH3+] ZINC000042607202 174302116 /nfs/dbraw/zinc/30/21/16/174302116.db2.gz VJXZPPPTENOOKX-SDDRHHMPSA-N 1 0 246.351 0.086 10 0 BCAERO COCCNC(=O)C[NH2+]CCOC1CCCC1 ZINC000104432585 174321117 /nfs/dbraw/zinc/32/11/17/174321117.db2.gz CAEOVUNJWQVRNR-UHFFFAOYSA-N 1 0 244.335 0.298 10 0 BCAERO COCCNC(=O)Cn1c(N)[nH+]c2ccccc21 ZINC000075414647 174321958 /nfs/dbraw/zinc/32/19/58/174321958.db2.gz VXUOMWDLSZJWSN-UHFFFAOYSA-N 1 0 248.286 0.381 10 0 BCAERO COCCNC(=O)[C@@H](C)[NH2+]C[C@H]1CCCOC1 ZINC000038046041 174325633 /nfs/dbraw/zinc/32/56/33/174325633.db2.gz PJNHQVCXBDPTOH-GHMZBOCLSA-N 1 0 244.335 0.154 10 0 BCAERO COCCNC(=O)[C@@H](C)N[C@@H](C)CC[NH+](C)C ZINC000049557795 174325839 /nfs/dbraw/zinc/32/58/39/174325839.db2.gz QGQKGMNQCVZDAP-WDEREUQCSA-N 1 0 245.367 0.067 10 0 BCAERO COCCNC(=O)[C@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000019518122 174327327 /nfs/dbraw/zinc/32/73/27/174327327.db2.gz VECFRHVARGZWDV-GARJFASQSA-N 1 0 226.320 0.670 10 0 BCAERO COCC[NH2+]CC(=O)N[C@@H](C)C(C)C ZINC000042221669 174331612 /nfs/dbraw/zinc/33/16/12/174331612.db2.gz HRISCIFLFWUBRL-VIFPVBQESA-N 1 0 202.298 0.383 10 0 BCAERO COCC[NH2+]C[C@@H](O)COc1ccccc1C ZINC000033468586 174333752 /nfs/dbraw/zinc/33/37/52/174333752.db2.gz LSUTUPSEDXUIGW-GFCCVEGCSA-N 1 0 239.315 0.971 10 0 BCAERO COCC[NH2+]C[C@@H](O)COc1ccc(C)cc1 ZINC000033468594 174333768 /nfs/dbraw/zinc/33/37/68/174333768.db2.gz BJQRKPLKGJQLDW-GFCCVEGCSA-N 1 0 239.315 0.971 10 0 BCAERO COCC[NH2+]C[C@H](O)COc1cccc(C)c1 ZINC000033468592 174334577 /nfs/dbraw/zinc/33/45/77/174334577.db2.gz GQXQJKSLUQNZGD-LBPRGKRZSA-N 1 0 239.315 0.971 10 0 BCAERO COCC[NH2+]C[C@H]1CCC[N@@H+]([C@H](C)C(=O)[O-])C1 ZINC000111701061 174334637 /nfs/dbraw/zinc/33/46/37/174334637.db2.gz YXFOLUHHPRERBY-GHMZBOCLSA-N 1 0 244.335 0.408 10 0 BCAERO COCCOCC[NH2+]CC1CCOCC1 ZINC000052172590 174357506 /nfs/dbraw/zinc/35/75/06/174357506.db2.gz MFUHMUKLGKHXNI-UHFFFAOYSA-N 1 0 217.309 0.666 10 0 BCAERO COCCOc1ccc(NC(=O)[C@@H](C)[NH3+])cn1 ZINC000037019337 174368969 /nfs/dbraw/zinc/36/89/69/174368969.db2.gz FEPBVNOZWDYKLE-MRVPVSSYSA-N 1 0 239.275 0.393 10 0 BCAERO COCC[C@@H](C)NC(=O)[C@H](C)C1C[NH2+]C1 ZINC000129275488 174381401 /nfs/dbraw/zinc/38/14/01/174381401.db2.gz RNMZRQOBBMEHQZ-RKDXNWHRSA-N 1 0 214.309 0.383 10 0 BCAERO COCC[C@@H](CO)[NH2+]Cc1cnn(C)c1C ZINC000282252810 174388963 /nfs/dbraw/zinc/38/89/63/174388963.db2.gz ORWBNZFLNNMTRF-NSHDSACASA-N 1 0 227.308 0.216 10 0 BCAERO COCC[C@@H]([NH3+])c1nnc2ccc(C)nn21 ZINC000052785341 174392881 /nfs/dbraw/zinc/39/28/81/174392881.db2.gz RTXASFDVXKPXBH-MRVPVSSYSA-N 1 0 221.264 0.469 10 0 BCAERO COCCn1cc(N2CC[C@H]([NH3+])[C@H](C)C2)cn1 ZINC000049714151 174430366 /nfs/dbraw/zinc/43/03/66/174430366.db2.gz ZFBAKRLPZDFXTE-PWSUYJOCSA-N 1 0 238.335 0.703 10 0 BCAERO COC[C@H](C)CNC(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000226752005 174532586 /nfs/dbraw/zinc/53/25/86/174532586.db2.gz SUUYVWZOFPCXJO-OUAUKWLOSA-N 1 0 228.336 0.903 10 0 BCAERO COC[C@H](C)N(C)C(=O)C1([NH3+])CCCC1 ZINC000037815819 174534376 /nfs/dbraw/zinc/53/43/76/174534376.db2.gz PWNJBCHMHLCCKG-VIFPVBQESA-N 1 0 214.309 0.751 10 0 BCAERO COC[C@H](CC(C)C)[NH2+]CCn1cncn1 ZINC000309484743 174561447 /nfs/dbraw/zinc/56/14/47/174561447.db2.gz VBRQKWNXQKPLHX-NSHDSACASA-N 1 0 226.324 0.929 10 0 BCAERO COCc1ccccc1N1C[C@H]([NH3+])CC1=O ZINC000049511371 174634964 /nfs/dbraw/zinc/63/49/64/174634964.db2.gz BYSPGEYEGCZIGT-SNVBAGLBSA-N 1 0 220.272 0.897 10 0 BCAERO COCc1ccccc1N1CC[C@@H]([NH3+])C1=O ZINC000049659845 174635026 /nfs/dbraw/zinc/63/50/26/174635026.db2.gz BCHPIVIYLRGQDP-SNVBAGLBSA-N 1 0 220.272 0.897 10 0 BCAERO Cc1nc(CNC(=O)C[C@@H]([NH3+])C(C)C)no1 ZINC000225811524 487628849 /nfs/dbraw/zinc/62/88/49/487628849.db2.gz WGNWQAOSLZNCMD-MRVPVSSYSA-N 1 0 226.280 0.368 10 0 BCAERO CO[C@@H]1C[NH2+][C@H](C(=O)N(C)CC2CC2)C1 ZINC000042277012 174770543 /nfs/dbraw/zinc/77/05/43/174770543.db2.gz UXNXPKSUXVOUNY-UWVGGRQHSA-N 1 0 212.293 0.232 10 0 BCAERO CO[C@H]1C(=O)N(CC2CC2)C12CC[NH2+]CC2 ZINC000169676552 174873220 /nfs/dbraw/zinc/87/32/20/174873220.db2.gz PCKJKMJDZREXKE-JTQLQIEISA-N 1 0 224.304 0.376 10 0 BCAERO CO[C@H]1C[NH2+]C[C@H]1NC(=O)c1ccoc1C ZINC000036235775 174899767 /nfs/dbraw/zinc/89/97/67/174899767.db2.gz ULKBFPLBMBSYRI-ZJUUUORDSA-N 1 0 224.260 0.305 10 0 BCAERO COc1cc2c(c(OC)c1)CC[C@@]2(O)C[NH3+] ZINC000019727380 175009302 /nfs/dbraw/zinc/00/93/02/175009302.db2.gz FMDGNORLVGOKSX-GFCCVEGCSA-N 1 0 223.272 0.796 10 0 BCAERO COc1cc(OC)nc(N2CCC[C@H]2C[NH3+])n1 ZINC000135012063 175011597 /nfs/dbraw/zinc/01/15/97/175011597.db2.gz AJQSDWFQIGJGCO-QMMMGPOBSA-N 1 0 238.291 0.421 10 0 BCAERO COc1cc([C@@H](C)[NH3+])ccc1O[C@@H](C)C(N)=O ZINC000020419838 175013465 /nfs/dbraw/zinc/01/34/65/175013465.db2.gz ATRXGMSOYSFZRU-SFYZADRCSA-N 1 0 238.287 0.968 10 0 BCAERO COc1cc([C@@H](C)[NH2+]CCC(N)=O)ccc1O ZINC000036746959 175013832 /nfs/dbraw/zinc/01/38/32/175013832.db2.gz HNLBSTUTNQKWKH-MRVPVSSYSA-N 1 0 238.287 0.927 10 0 BCAERO COc1cc([C@H]([NH2+]C(C)C)C(N)=O)ccc1O ZINC000037943557 175016585 /nfs/dbraw/zinc/01/65/85/175016585.db2.gz SEPLPFNNWPLBDL-NSHDSACASA-N 1 0 238.287 0.925 10 0 BCAERO COc1cc([C@H](N)C[NH3+])cc(F)c1F ZINC000044474322 175016647 /nfs/dbraw/zinc/01/66/47/175016647.db2.gz FIMMLKAEZFCSHW-SSDOTTSWSA-N 1 0 202.204 0.932 10 0 BCAERO COc1cc2c(c(OC)c1)[C@H](O)[C@H](C[NH3+])CN2 ZINC000068590371 175020859 /nfs/dbraw/zinc/02/08/59/175020859.db2.gz BAOYMHOOASNSOB-JMCQJSRRSA-N 1 0 238.287 0.738 10 0 BCAERO COc1cc2c(cc1OC)NC(=O)[C@H](C[NH3+])C2 ZINC000011982430 175024275 /nfs/dbraw/zinc/02/42/75/175024275.db2.gz SQNDCSMQRAPXHL-QMMMGPOBSA-N 1 0 236.271 0.773 10 0 BCAERO COc1ccc(-c2nnnn2CC[NH3+])cc1 ZINC000042199212 175042048 /nfs/dbraw/zinc/04/20/48/175042048.db2.gz GPMWTFMKRNUGKS-UHFFFAOYSA-N 1 0 219.248 0.307 10 0 BCAERO COc1ccc(-n2nnnc2[C@H](C)[NH3+])c(OC)c1 ZINC000062494040 175045539 /nfs/dbraw/zinc/04/55/39/175045539.db2.gz MKRBFXJVBUMUHJ-ZETCQYMHSA-N 1 0 249.274 0.699 10 0 BCAERO COc1ccc(C)cc1-n1nnnc1C[NH3+] ZINC000054744893 175072855 /nfs/dbraw/zinc/07/28/55/175072855.db2.gz WENQSRZTHHFQJG-UHFFFAOYSA-N 1 0 219.248 0.438 10 0 BCAERO COc1ccc(C2(C[NH3+])OCCO2)c(OC)c1 ZINC000049829580 175084412 /nfs/dbraw/zinc/08/44/12/175084412.db2.gz CFWWTXUAXNSMNY-UHFFFAOYSA-N 1 0 239.271 0.862 10 0 BCAERO COc1ccc(CC[NH3+])cc1O[C@H](C)C(N)=O ZINC000037721806 175090529 /nfs/dbraw/zinc/09/05/29/175090529.db2.gz OLQRHWKCUPJRSC-MRVPVSSYSA-N 1 0 238.287 0.449 10 0 BCAERO COc1ccc(CC[NH2+]CCN)cc1OC ZINC000019732695 175091516 /nfs/dbraw/zinc/09/15/16/175091516.db2.gz LRNQYHQQMIXTAD-UHFFFAOYSA-N 1 0 224.304 0.795 10 0 BCAERO COc1ccc(CC[NH2+]CC(=O)N(C)C)cc1 ZINC000020044614 175091746 /nfs/dbraw/zinc/09/17/46/175091746.db2.gz WXHRAVORCXUWFD-UHFFFAOYSA-N 1 0 236.315 0.916 10 0 BCAERO COc1ccc(CC[C@@H](O)C[NH3+])cc1OC ZINC000071532326 175092621 /nfs/dbraw/zinc/09/26/21/175092621.db2.gz WUQMOGKQKBTUOL-SNVBAGLBSA-N 1 0 225.288 0.956 10 0 BCAERO COc1ccc(CN2CCN(CC[NH3+])CC2)cc1 ZINC000019933505 175099504 /nfs/dbraw/zinc/09/95/04/175099504.db2.gz UKOMPWCOTXXPBQ-UHFFFAOYSA-N 1 0 249.358 0.772 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)N[C@@H](C)c1nc[nH]n1 ZINC000225814067 487629685 /nfs/dbraw/zinc/62/96/85/487629685.db2.gz VXXYORPTDFCLLM-JGVFFNPUSA-N 1 0 225.296 0.355 10 0 BCAERO COc1ccc(N2CCC[NH2+]CC2)cn1 ZINC000013703970 175139288 /nfs/dbraw/zinc/13/92/88/175139288.db2.gz SYCMNXTXRHUPAZ-UHFFFAOYSA-N 1 0 207.277 0.890 10 0 BCAERO COc1ccc(N2C[C@@H]([NH3+])CC2=O)c(F)c1 ZINC000229015551 175139586 /nfs/dbraw/zinc/13/95/86/175139586.db2.gz VLFRITCSKVITPM-ZETCQYMHSA-N 1 0 224.235 0.898 10 0 BCAERO COc1ccc(NC(=O)C[NH2+]C[C@H](C)O)cc1 ZINC000035101842 175142601 /nfs/dbraw/zinc/14/26/01/175142601.db2.gz LORLDTOZQYAXRF-VIFPVBQESA-N 1 0 238.287 0.604 10 0 BCAERO COc1ccc(NC(=O)[C@H]2CC[NH2+]C2)cn1 ZINC000062112326 175146415 /nfs/dbraw/zinc/14/64/15/175146415.db2.gz IFPUULHWUQDZQU-QMMMGPOBSA-N 1 0 221.260 0.638 10 0 BCAERO COc1ccc(NCc2nnc(CC[NH3+])[nH]2)cc1 ZINC000072236545 175153600 /nfs/dbraw/zinc/15/36/00/175153600.db2.gz HDIBPMSKRUHHHX-UHFFFAOYSA-N 1 0 247.302 0.927 10 0 BCAERO COc1ccc(OC)c(N2C[C@H]([NH3+])CC2=O)c1 ZINC000020445592 175166450 /nfs/dbraw/zinc/16/64/50/175166450.db2.gz CVHPBIFUWPXWDK-MRVPVSSYSA-N 1 0 236.271 0.768 10 0 BCAERO COc1ccc([C@@H](C[NH3+])N(C)CCO)cc1 ZINC000020225842 175178309 /nfs/dbraw/zinc/17/83/09/175178309.db2.gz LRJJRQCVUDJEQT-GFCCVEGCSA-N 1 0 224.304 0.619 10 0 BCAERO COc1ccc([C@@H](C[NH3+])CO)cc1OC ZINC000071518169 175178478 /nfs/dbraw/zinc/17/84/78/175178478.db2.gz LLTMJMRLIPCICJ-VIFPVBQESA-N 1 0 211.261 0.738 10 0 BCAERO COc1ccc([C@@](C)([NH3+])CO)cc1OC ZINC000038124622 175185871 /nfs/dbraw/zinc/18/58/71/175185871.db2.gz VIHNXVVTYYRUDZ-NSHDSACASA-N 1 0 211.261 0.870 10 0 BCAERO COc1ccc([C@@H]2OC[C@H](C[NH3+])O2)cc1O ZINC000049819921 175185986 /nfs/dbraw/zinc/18/59/86/175185986.db2.gz XVOGCTKEXJADJO-GZMMTYOYSA-N 1 0 225.244 0.774 10 0 BCAERO COc1cccc(S(=O)(=O)CC[NH3+])c1 ZINC000019508217 175284727 /nfs/dbraw/zinc/28/47/27/175284727.db2.gz MJJVNSVUVAGORM-UHFFFAOYSA-N 1 0 215.274 0.428 10 0 BCAERO COc1ccc2c(c1)NC(=O)[C@@H](C[NH3+])C2 ZINC000011982394 175211712 /nfs/dbraw/zinc/21/17/12/175211712.db2.gz HHJOOXNDPJNFAS-MRVPVSSYSA-N 1 0 206.245 0.765 10 0 BCAERO COc1ccc2c(c1OC)C[NH2+]C[C@@H]2O ZINC000036155575 175222585 /nfs/dbraw/zinc/22/25/85/175222585.db2.gz SPFNWFJSDMUDFU-VIFPVBQESA-N 1 0 209.245 0.840 10 0 BCAERO COc1cccc(CN(C)[C@@H]2C[NH2+]C[C@@H]2O)c1 ZINC000104252387 175256104 /nfs/dbraw/zinc/25/61/04/175256104.db2.gz GABGVFUFMXTFKR-OLZOCXBDSA-N 1 0 236.315 0.460 10 0 BCAERO COc1cccc(CNS(=O)(=O)CC[NH3+])c1 ZINC000038078060 175265274 /nfs/dbraw/zinc/26/52/74/175265274.db2.gz WAPMJDMSMXTYSC-UHFFFAOYSA-N 1 0 244.316 0.073 10 0 BCAERO COc1cccc(C[NH2+][C@H]2COC[C@H]2O)c1 ZINC000037894675 175268211 /nfs/dbraw/zinc/26/82/11/175268211.db2.gz KEZZPSOUATYAIR-NWDGAFQWSA-N 1 0 223.272 0.545 10 0 BCAERO COc1cccc(N(C)C[C@H](O)CC[NH3+])c1 ZINC000077337144 175275357 /nfs/dbraw/zinc/27/53/57/175275357.db2.gz YBFGCZQRCWWBLG-LLVKDONJSA-N 1 0 224.304 0.841 10 0 BCAERO COc1cccc(NC(=O)C[NH2+][C@@H](C)CO)c1 ZINC000035604220 175276302 /nfs/dbraw/zinc/27/63/02/175276302.db2.gz HZQXSVLAWAJCHV-VIFPVBQESA-N 1 0 238.287 0.604 10 0 BCAERO COc1cccc(OCC[C@H](O)C[NH3+])c1 ZINC000019668482 175283534 /nfs/dbraw/zinc/28/35/34/175283534.db2.gz JMXDANAKMWLKCP-VIFPVBQESA-N 1 0 211.261 0.784 10 0 BCAERO COc1cccc(OC[C@@](C)(O)C[NH3+])c1 ZINC000019667961 175283949 /nfs/dbraw/zinc/28/39/49/175283949.db2.gz GNLGQWCYBOMDPI-NSHDSACASA-N 1 0 211.261 0.784 10 0 BCAERO COc1cccc(OC[C@@H](C[NH3+])N(C)C)c1 ZINC000020400016 175284248 /nfs/dbraw/zinc/28/42/48/175284248.db2.gz QQOTVZWZAQNEOQ-SNVBAGLBSA-N 1 0 224.304 0.963 10 0 BCAERO COc1cccc([C@@H](CO)N2CC[NH2+]CC2)c1 ZINC000038120825 175289170 /nfs/dbraw/zinc/28/91/70/175289170.db2.gz UKVWAJFRUJIVRQ-CYBMUJFWSA-N 1 0 236.315 0.634 10 0 BCAERO COc1cccc([C@H](C)[NH2+][C@@H]2CC(=O)NC2=O)c1 ZINC000103033831 175293449 /nfs/dbraw/zinc/29/34/49/175293449.db2.gz JYUZSPHXZBMFMF-GZMMTYOYSA-N 1 0 248.282 0.761 10 0 BCAERO COc1ccccc1-c1nnnn1CC[NH3+] ZINC000042199216 175312275 /nfs/dbraw/zinc/31/22/75/175312275.db2.gz VBSAMYVPZWRSIB-UHFFFAOYSA-N 1 0 219.248 0.307 10 0 BCAERO COc1ccccc1CNC[C@H](O)C[NH+](C)C ZINC000037874813 175330540 /nfs/dbraw/zinc/33/05/40/175330540.db2.gz UFCSEHYCBPYBGG-LBPRGKRZSA-N 1 0 238.331 0.707 10 0 BCAERO COc1ccccc1N(C)C[C@@H](O)CC[NH3+] ZINC000077337137 175336004 /nfs/dbraw/zinc/33/60/04/175336004.db2.gz QJFPBHGRLJYAFV-JTQLQIEISA-N 1 0 224.304 0.841 10 0 BCAERO COc1ccccc1[C@@H](C[NH3+])N(C)CC(N)=O ZINC000043097280 175345944 /nfs/dbraw/zinc/34/59/44/175345944.db2.gz SWCVQJGZGLUUMT-SNVBAGLBSA-N 1 0 237.303 0.112 10 0 BCAERO COc1ccccc1[C@H]([NH3+])Cn1cncn1 ZINC000019256817 175352924 /nfs/dbraw/zinc/35/29/24/175352924.db2.gz GBXTWLFZNAULMJ-SNVBAGLBSA-N 1 0 218.260 0.987 10 0 BCAERO COc1ccccc1[C@H](C[NH3+])N(C)CC(N)=O ZINC000043097278 175353819 /nfs/dbraw/zinc/35/38/19/175353819.db2.gz SWCVQJGZGLUUMT-JTQLQIEISA-N 1 0 237.303 0.112 10 0 BCAERO COc1ccnc(NC[C@H]2CCC[NH2+]2)n1 ZINC000053255368 175366432 /nfs/dbraw/zinc/36/64/32/175366432.db2.gz LAVXVWQDPQQCJW-MRVPVSSYSA-N 1 0 208.265 0.649 10 0 BCAERO COc1cncc(C[NH2+][C@H]2CCC(=O)N[C@@H]2C)c1 ZINC000289379866 175385978 /nfs/dbraw/zinc/38/59/78/175385978.db2.gz JACZLTHHSNLOHF-SKDRFNHKSA-N 1 0 249.314 0.847 10 0 BCAERO COc1ncccc1C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170867594 175404528 /nfs/dbraw/zinc/40/45/28/175404528.db2.gz KCEWRTVQKPGITD-SNVBAGLBSA-N 1 0 249.314 0.866 10 0 BCAERO COc1nccnc1CO[C@@H]1CC[NH2+]C1 ZINC000095071639 175412804 /nfs/dbraw/zinc/41/28/04/175412804.db2.gz LRJKYJRVLMPBGC-MRVPVSSYSA-N 1 0 209.249 0.364 10 0 BCAERO CS(=O)(=O)NCCCCCCCC[NH3+] ZINC000028102309 175428829 /nfs/dbraw/zinc/42/88/29/175428829.db2.gz KJHSAWIVYYPQBP-UHFFFAOYSA-N 1 0 222.354 0.835 10 0 BCAERO CSC(C)(C)CNC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000229110251 175441505 /nfs/dbraw/zinc/44/15/05/175441505.db2.gz QPQNCYYFPUTBGI-BDAKNGLRSA-N 1 0 246.376 0.751 10 0 BCAERO C[C@@H](C(=O)NC1C[NH2+]C1)c1ccsc1 ZINC000307062578 175611556 /nfs/dbraw/zinc/61/15/56/175611556.db2.gz PDWGCFNCPFAUEY-SSDOTTSWSA-N 1 0 210.302 0.940 10 0 BCAERO C[C@@H](C1CC[NH2+]CC1)N1C(=O)C[C@@H](C)C1=O ZINC000038051926 175637309 /nfs/dbraw/zinc/63/73/09/175637309.db2.gz VCLTXMKRDHMUDV-BDAKNGLRSA-N 1 0 224.304 0.770 10 0 BCAERO C[C@@H](CN(CCC[NH3+])c1ccccc1)C(N)=O ZINC000037226977 175703351 /nfs/dbraw/zinc/70/33/51/175703351.db2.gz CLFHWQOCOIJRNF-NSHDSACASA-N 1 0 235.331 0.963 10 0 BCAERO C[C@@H](C[NH3+])CN(C)C(=O)c1cccnc1 ZINC000042454900 175707537 /nfs/dbraw/zinc/70/75/37/175707537.db2.gz SRBMVEQFPWGOKM-VIFPVBQESA-N 1 0 207.277 0.748 10 0 BCAERO C[C@@H](CO)[NH2+]CCc1ccc2c(c1)OCCO2 ZINC000082548778 175756347 /nfs/dbraw/zinc/75/63/47/175756347.db2.gz OLYWPDDLMFOHFV-JTQLQIEISA-N 1 0 237.299 0.971 10 0 BCAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000309054446 487631826 /nfs/dbraw/zinc/63/18/26/487631826.db2.gz SAWILUNTVPOHGR-NZFPMDFQSA-N 1 0 208.305 0.981 10 0 BCAERO C[C@@H]([NH3+])[C@H](c1ccncc1)n1cncn1 ZINC000043354872 175813585 /nfs/dbraw/zinc/81/35/85/175813585.db2.gz FUYUOZQJALBQMH-PSASIEDQSA-N 1 0 203.249 0.610 10 0 BCAERO C[C@@H](NC(=O)C1(C[NH3+])CCOCC1)C1CC1 ZINC000044762667 175825793 /nfs/dbraw/zinc/82/57/93/175825793.db2.gz DCGZOEUUIRDWNI-SECBINFHSA-N 1 0 226.320 0.657 10 0 BCAERO C[C@@H](NC(=O)[C@H]1CCC[NH2+]C1)C1CCOCC1 ZINC000161931592 175844942 /nfs/dbraw/zinc/84/49/42/175844942.db2.gz NOGBVSQQSHJANW-PWSUYJOCSA-N 1 0 240.347 0.917 10 0 BCAERO C[C@@H](O)[C@@H]1CN(Cc2ccccc2)CC[NH2+]1 ZINC000034253421 175995688 /nfs/dbraw/zinc/99/56/88/175995688.db2.gz AEFZVMAENDWYTI-YPMHNXCESA-N 1 0 220.316 0.841 10 0 BCAERO C[C@@H](OC1CCC([NH3+])CC1)C(=O)N(C)C ZINC000055142835 176002273 /nfs/dbraw/zinc/00/22/73/176002273.db2.gz KUJVWFGFISAEDT-XNWIYYODSA-N 1 0 214.309 0.750 10 0 BCAERO C[C@@H](O[C@@H]1CC[NH2+]C1)C(=O)NC1CCCC1 ZINC000051782143 176003183 /nfs/dbraw/zinc/00/31/83/176003183.db2.gz UFZJMPSTQZTVPC-MWLCHTKSSA-N 1 0 226.320 0.812 10 0 BCAERO C[C@@H](OC[C@H]1CCC[NH2+]C1)C(=O)N(C)C ZINC000051815215 176003479 /nfs/dbraw/zinc/00/34/79/176003479.db2.gz SDVAIAYBDSTKQX-ZJUUUORDSA-N 1 0 214.309 0.479 10 0 BCAERO C[C@@H](Oc1cccc(F)c1C[NH3+])C(N)=O ZINC000036307322 176005220 /nfs/dbraw/zinc/00/52/20/176005220.db2.gz DRZKPBNODSRWEF-ZCFIWIBFSA-N 1 0 212.224 0.537 10 0 BCAERO C[C@@H]([C@H]1CCC[NH2+]C1)N1CCS(=O)(=O)CC1 ZINC000050164348 176012262 /nfs/dbraw/zinc/01/22/62/176012262.db2.gz QRTYFWJQMJFPFP-QWRGUYRKSA-N 1 0 246.376 0.105 10 0 BCAERO C[C@@H](c1ccccn1)N1C[C@H]([NH3+])CC1=O ZINC000035695667 176027379 /nfs/dbraw/zinc/02/73/79/176027379.db2.gz INIYBDJMQLJBFN-DTWKUNHWSA-N 1 0 205.261 0.702 10 0 BCAERO C[C@@H](c1cccnc1)N1CC[C@@H]([NH3+])C1=O ZINC000049648716 176030538 /nfs/dbraw/zinc/03/05/38/176030538.db2.gz STBLYCOEKCZOQL-WCBMZHEXSA-N 1 0 205.261 0.702 10 0 BCAERO C[C@@H](c1cnccn1)N(C)[C@@H]1CC[NH2+]C1 ZINC000070026310 176036150 /nfs/dbraw/zinc/03/61/50/176036150.db2.gz BDTJUIUZVIJCCX-VHSXEESVSA-N 1 0 206.293 0.831 10 0 BCAERO C[C@H]1CC([NH2+]C(CO)CO)C[C@@H](C)C1 ZINC000083692301 176055459 /nfs/dbraw/zinc/05/54/59/176055459.db2.gz REWXYLNASGUESP-ULKQDVFKSA-N 1 0 201.310 0.754 10 0 BCAERO C[C@@H]1CCCCN1S(=O)(=O)C[C@@H]1CCC[NH2+]1 ZINC000049631912 176074130 /nfs/dbraw/zinc/07/41/30/176074130.db2.gz RDTMUYGHVMRNBY-MNOVXSKESA-N 1 0 246.376 0.943 10 0 BCAERO C[C@@H]1CCCC[C@@H]1N(C)C(=O)C(=O)NCC[NH3+] ZINC000042600855 176077377 /nfs/dbraw/zinc/07/73/77/176077377.db2.gz SCKBHMUIVYUSQK-ZJUUUORDSA-N 1 0 241.335 0.098 10 0 BCAERO C[C@@H]1CCC[N@H+](C[C@H](NC2CC2)C(N)=O)[C@@H]1C ZINC000050567408 176099683 /nfs/dbraw/zinc/09/96/83/176099683.db2.gz OUEFROVOUIVCQP-FOGDFJRCSA-N 1 0 239.363 0.713 10 0 BCAERO C[C@@H]1CCC[C@@H](C(=O)NC[C@@H]2COCCO2)[NH2+]1 ZINC000038063077 176112376 /nfs/dbraw/zinc/11/23/76/176112376.db2.gz DOVWFRXKPCCKIN-MXWKQRLJSA-N 1 0 242.319 0.049 10 0 BCAERO C[C@@H]1CCC[C@@H](C)C1[NH2+]C(CO)CO ZINC000083691477 176113922 /nfs/dbraw/zinc/11/39/22/176113922.db2.gz DJSQLDOMGUXGOC-RKDXNWHRSA-N 1 0 201.310 0.754 10 0 BCAERO C[C@@H]1CCC[C@H](C(=O)NC2CCOCC2)[NH2+]1 ZINC000036319900 176135893 /nfs/dbraw/zinc/13/58/93/176135893.db2.gz HBRFVKWXORFWEC-MWLCHTKSSA-N 1 0 226.320 0.812 10 0 BCAERO C[C@@H]1CCC[C@H](C(=O)Nc2ccnn2C)[NH2+]1 ZINC000044593823 176136061 /nfs/dbraw/zinc/13/60/61/176136061.db2.gz QXLOFIALGFPYJA-RKDXNWHRSA-N 1 0 222.292 0.889 10 0 BCAERO C[C@@H]1CCC[C@H](N(C)C(=O)[C@@H]2C[NH2+]CCN2)C1 ZINC000062813014 176140945 /nfs/dbraw/zinc/14/09/45/176140945.db2.gz ICYQFTZMVYUDCZ-WOPDTQHZSA-N 1 0 239.363 0.585 10 0 BCAERO C[C@@H]1CCC[C@H]([NH2+]CCS(N)(=O)=O)C1 ZINC000036745443 176143344 /nfs/dbraw/zinc/14/33/44/176143344.db2.gz SDLZCCDUYQHBNY-BDAKNGLRSA-N 1 0 220.338 0.443 10 0 BCAERO C[C@@H]1CCC[C@](CO)([NH2+]CC(N)=O)C1 ZINC000053126874 176151963 /nfs/dbraw/zinc/15/19/63/176151963.db2.gz BCSSAQAFIGBDKQ-SCZZXKLOSA-N 1 0 200.282 0.003 10 0 BCAERO C[C@@H]1CCC[C@](CO)([NH2+]Cc2cn(C)nn2)C1 ZINC000054861211 176152282 /nfs/dbraw/zinc/15/22/82/176152282.db2.gz IVRSRXVITPAZNB-PWSUYJOCSA-N 1 0 238.335 0.846 10 0 BCAERO C[C@@H]1CCN(C(=O)[C@H]2CCCO2)[C@@H](C[NH3+])C1 ZINC000235318926 176161226 /nfs/dbraw/zinc/16/12/26/176161226.db2.gz XHDRXZLGLBJNLN-GMTAPVOTSA-N 1 0 226.320 0.751 10 0 BCAERO C[C@@H]1CCN(C2CCS(=O)(=O)CC2)CC[NH2+]1 ZINC000049662053 176166981 /nfs/dbraw/zinc/16/69/81/176166981.db2.gz KUSFPSVRJRLRQR-SNVBAGLBSA-N 1 0 246.376 0.247 10 0 BCAERO C[C@@H]1CCN(CCN2CCOCC2)[C@@H](C[NH3+])C1 ZINC000224847074 176170415 /nfs/dbraw/zinc/17/04/15/176170415.db2.gz VPBLQVOFGMYBTD-CHWSQXEVSA-N 1 0 241.379 0.378 10 0 BCAERO C[C@@H]1CCN(S(=O)(=O)CCC[NH3+])C1 ZINC000040724325 176178935 /nfs/dbraw/zinc/17/89/35/176178935.db2.gz AVSSWFDEHMMDED-MRVPVSSYSA-N 1 0 206.311 0.007 10 0 BCAERO C[C@@H]1CCN(S(=O)(=O)C2CC[NH2+]CC2)C1 ZINC000049644389 176179457 /nfs/dbraw/zinc/17/94/57/176179457.db2.gz ZTIKISGGMOJBFJ-SECBINFHSA-N 1 0 232.349 0.410 10 0 BCAERO C[C@@H]1CCN([C@@H](C[NH3+])c2cnn(C)c2)C1 ZINC000040717287 176180204 /nfs/dbraw/zinc/18/02/04/176180204.db2.gz BIUHEGHKIKGFFE-KOLCDFICSA-N 1 0 208.309 0.762 10 0 BCAERO C[C@@H]1CC[NH2+][C@H](C(=O)NC[C@@H]2CCC[C@@H]2O)C1 ZINC000127353742 176187292 /nfs/dbraw/zinc/18/72/92/176187292.db2.gz HIWRIHZDQHPYHN-RHYQMDGZSA-N 1 0 240.347 0.652 10 0 BCAERO C[C@@H]1CC[C@@H](C(=O)N2CCN(C)CC2)C[NH2+]1 ZINC000019505391 176194844 /nfs/dbraw/zinc/19/48/44/176194844.db2.gz NVOARLXWJDARDJ-GHMZBOCLSA-N 1 0 225.336 0.149 10 0 BCAERO C[C@@H]1CC[C@@H](C(=O)N2CCO[C@H](C)C2)C[NH2+]1 ZINC000034717577 176194855 /nfs/dbraw/zinc/19/48/55/176194855.db2.gz JGPWRMNHPHZRFE-GMTAPVOTSA-N 1 0 226.320 0.622 10 0 BCAERO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1[C@@H]1CCCC[C@@H]1N ZINC000042438596 176196505 /nfs/dbraw/zinc/19/65/05/176196505.db2.gz NCYUOIGLPBZHNU-WISYIIOYSA-N 1 0 239.363 0.842 10 0 BCAERO C[C@@H]1CC[C@@H]1[NH2+]C1CCS(=O)(=O)CC1 ZINC000307551328 176216743 /nfs/dbraw/zinc/21/67/43/176216743.db2.gz RZTLNBSZZVYZLM-SCZZXKLOSA-N 1 0 217.334 0.952 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)N2CCN(C)[C@H](C)C2)C[NH2+]1 ZINC000104143253 176219888 /nfs/dbraw/zinc/21/98/88/176219888.db2.gz YWZPLPXYKMXHMN-UTUOFQBUSA-N 1 0 239.363 0.537 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)NC[C@@H]2CCCO2)C[NH2+]1 ZINC000019503874 176220326 /nfs/dbraw/zinc/22/03/26/176220326.db2.gz OEIOPQKCFIGGRC-VWYCJHECSA-N 1 0 226.320 0.670 10 0 BCAERO C[C@@H]1CC[C@H](CN2C(=O)CCC2=O)C[NH2+]1 ZINC000062037662 176224530 /nfs/dbraw/zinc/22/45/30/176224530.db2.gz IZWNABBFIRMEGI-BDAKNGLRSA-N 1 0 210.277 0.524 10 0 BCAERO C[C@@H]1CN(C(=O)C(C)(C)C[NH3+])CCO1 ZINC000044751260 176241912 /nfs/dbraw/zinc/24/19/12/176241912.db2.gz GLJSUCOZBVRREY-MRVPVSSYSA-N 1 0 200.282 0.219 10 0 BCAERO C[C@@H]1CN(C(=O)CC[C@H]2CC[NH2+]C2)CCO1 ZINC000134463682 176245313 /nfs/dbraw/zinc/24/53/13/176245313.db2.gz PMHKRTZTOVUTQC-MNOVXSKESA-N 1 0 226.320 0.623 10 0 BCAERO C[C@@H]1CN(C(=O)C[C@@H]2CCCC[NH2+]2)CCO1 ZINC000020597495 176248039 /nfs/dbraw/zinc/24/80/39/176248039.db2.gz HXEOFRFGONUJKX-MNOVXSKESA-N 1 0 226.320 0.766 10 0 BCAERO C[C@@H]1CN(C(=O)[C@@H]2CCC[NH2+]C2)C[C@@H](C)O1 ZINC000019412292 176254413 /nfs/dbraw/zinc/25/44/13/176254413.db2.gz HYWBZZHJNKSENM-GMTAPVOTSA-N 1 0 226.320 0.622 10 0 BCAERO C[C@@H]1CN(C(=O)[C@@H]2CCC[C@H]2[NH3+])CCO1 ZINC000251666341 176255339 /nfs/dbraw/zinc/25/53/39/176255339.db2.gz HDFCAQRDTJZGBO-OPRDCNLKSA-N 1 0 212.293 0.361 10 0 BCAERO C[C@@H]1CN(C(=O)[C@@H]2CC[C@@H]([NH3+])C2)[C@H](C)CO1 ZINC000228208700 176255422 /nfs/dbraw/zinc/25/54/22/176255422.db2.gz OPBMUONPHRZCBG-GWOFURMSSA-N 1 0 226.320 0.750 10 0 BCAERO C[C@@H]1CN(C(=O)[C@H]2CCCS2)C[C@@H]1[NH3+] ZINC000235339497 176258286 /nfs/dbraw/zinc/25/82/86/176258286.db2.gz ZQRVUESYVBSNJH-HRDYMLBCSA-N 1 0 214.334 0.688 10 0 BCAERO C[C@@H]1CN(C(=O)[C@H]2CCC[C@H]2[NH3+])CCO1 ZINC000251666337 176258668 /nfs/dbraw/zinc/25/86/68/176258668.db2.gz HDFCAQRDTJZGBO-KXUCPTDWSA-N 1 0 212.293 0.361 10 0 BCAERO C[C@@H]1CN(C(=O)c2cncc(O)c2)CC[NH2+]1 ZINC000083814260 176264356 /nfs/dbraw/zinc/26/43/56/176264356.db2.gz CICJFJCWAMTZLZ-MRVPVSSYSA-N 1 0 221.260 0.221 10 0 BCAERO C[C@@H]1CN(CC2(C[NH3+])CCOCC2)CCO1 ZINC000052180856 176285013 /nfs/dbraw/zinc/28/50/13/176285013.db2.gz DLUDRQDPOBUSJS-LLVKDONJSA-N 1 0 228.336 0.463 10 0 BCAERO C[C@@H]1C[NH+](CCC(N)=S)C[C@@H](C)O1 ZINC000019473790 176286890 /nfs/dbraw/zinc/28/68/90/176286890.db2.gz OAYJZVDIQHOBDA-HTQZYQBOSA-N 1 0 202.323 0.772 10 0 BCAERO C[C@@H]1C[N@H+](CCCCO)C[C@@H]1N(C)C ZINC000124737125 176288380 /nfs/dbraw/zinc/28/83/80/176288380.db2.gz WAHWZVNTYVOGGB-MNOVXSKESA-N 1 0 200.326 0.641 10 0 BCAERO C[C@@H]1C[N@H+](CC[C@](C)([NH3+])C(=O)[O-])CCCO1 ZINC000061933256 176294013 /nfs/dbraw/zinc/29/40/13/176294013.db2.gz CVPGTTLCEFBRKV-KOLCDFICSA-N 1 0 230.308 0.289 10 0 BCAERO C[C@@H]1CN(Cc2ccccn2)C[C@H](C[NH3+])O1 ZINC000071523393 176307988 /nfs/dbraw/zinc/30/79/88/176307988.db2.gz NYESEGZBIFEDII-PWSUYJOCSA-N 1 0 221.304 0.630 10 0 BCAERO C[C@H](C(=O)NC(C)(C)C)N1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000235263508 176316481 /nfs/dbraw/zinc/31/64/81/176316481.db2.gz PMODFSGEBYYBDX-BBBLOLIVSA-N 1 0 227.352 0.569 10 0 BCAERO C[C@@H]1C[NH2+]CCN1C(=O)[C@H]1C[C@@H]1C1CC1 ZINC000124874153 176327129 /nfs/dbraw/zinc/32/71/29/176327129.db2.gz ZYICVMBCOIIJDV-IEBDPFPHSA-N 1 0 208.305 0.853 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCO[C@H]2CCC[C@H]21 ZINC000235286612 176329700 /nfs/dbraw/zinc/32/97/00/176329700.db2.gz JHJOZICZNMFKEC-KKOKHZNYSA-N 1 0 238.331 0.622 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000111263963 176329877 /nfs/dbraw/zinc/32/98/77/176329877.db2.gz MFBYJVDQFXUVQB-RTXFEEFZSA-N 1 0 248.326 0.692 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@@H](O)c1ccccc1 ZINC000223887607 176330037 /nfs/dbraw/zinc/33/00/37/176330037.db2.gz MFBYJVDQFXUVQB-RAIGVLPGSA-N 1 0 248.326 0.692 10 0 BCAERO C[C@H]1CN(C(=O)[C@@H]2C[NH2+]C[C@H]2C)C[C@@H]1C ZINC000235285483 176330114 /nfs/dbraw/zinc/33/01/14/176330114.db2.gz CKKXFJYKANTUST-VPOLOUISSA-N 1 0 210.321 0.956 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCN(C2CC2)CC1 ZINC000111269968 176330148 /nfs/dbraw/zinc/33/01/48/176330148.db2.gz PHJOIVQMEGIOAC-ZYHUDNBSSA-N 1 0 237.347 0.149 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N(C)CCc1ccccn1 ZINC000104227070 176330210 /nfs/dbraw/zinc/33/02/10/176330210.db2.gz RAKKUAFRBVANAQ-DGCLKSJQSA-N 1 0 247.342 0.938 10 0 BCAERO C[C@@H]1COCCN1C(=O)CC1CC[NH2+]CC1 ZINC000035777900 176333765 /nfs/dbraw/zinc/33/37/65/176333765.db2.gz IGCKAQCZCGJRGV-SNVBAGLBSA-N 1 0 226.320 0.623 10 0 BCAERO C[C@@H]1COCCN1C(=O)C1([NH3+])CCCCC1 ZINC000035776485 176333801 /nfs/dbraw/zinc/33/38/01/176333801.db2.gz WUWMCNBIDHXGGF-SNVBAGLBSA-N 1 0 226.320 0.895 10 0 BCAERO C[C@@H]1COCCN1C(=O)c1ccc(C[NH3+])cn1 ZINC000104205428 176334453 /nfs/dbraw/zinc/33/44/53/176334453.db2.gz CPEYKZHAICIEOQ-SECBINFHSA-N 1 0 235.287 0.401 10 0 BCAERO C[C@@H]1COCCN1C(=O)[C@H]([NH3+])c1ccccc1 ZINC000035776559 176334931 /nfs/dbraw/zinc/33/49/31/176334931.db2.gz LTLIVPCTIXIOAT-ZYHUDNBSSA-N 1 0 234.299 0.934 10 0 BCAERO C[C@@H]1COCCN1C1(C[NH3+])CCSCC1 ZINC000042335052 176335529 /nfs/dbraw/zinc/33/55/29/176335529.db2.gz IMXIXVYEISWVEJ-SNVBAGLBSA-N 1 0 230.377 0.932 10 0 BCAERO C[C@@H]1COC[C@@H](C)N1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000336714696 176346652 /nfs/dbraw/zinc/34/66/52/176346652.db2.gz PHHYNWRDVBRIFC-WZRBSPASSA-N 1 0 242.363 0.551 10 0 BCAERO C[C@@H]1CSC(NC[C@H]2CCS(=O)(=O)C2)=[NH+]1 ZINC000050602982 176348952 /nfs/dbraw/zinc/34/89/52/176348952.db2.gz GGGRPHWSMGSQLP-HTQZYQBOSA-N 1 0 248.373 0.502 10 0 BCAERO C[C@@H]1CSC[C@@H]1[NH2+][C@]1(CO)CCOC1 ZINC000306413975 176354303 /nfs/dbraw/zinc/35/43/03/176354303.db2.gz UUIJMLQYRPJUOW-UTLUCORTSA-N 1 0 217.334 0.479 10 0 BCAERO C[C@@H]1C[C@@H](C)CN(S(=O)(=O)CCC[NH3+])C1 ZINC000037719439 176361307 /nfs/dbraw/zinc/36/13/07/176361307.db2.gz BCSAMPDPFJVSLN-NXEZZACHSA-N 1 0 234.365 0.643 10 0 BCAERO C[C@@H]1C[C@H]1NS(=O)(=O)c1ccc(C[NH3+])cc1 ZINC000052287445 176447396 /nfs/dbraw/zinc/44/73/96/176447396.db2.gz YRAXKEHEVDDJPE-LDYMZIIASA-N 1 0 240.328 0.832 10 0 BCAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]CCc1ccncc1 ZINC000289305431 176455517 /nfs/dbraw/zinc/45/55/17/176455517.db2.gz ARCSNUWMKSRVOC-JQWIXIFHSA-N 1 0 233.315 0.881 10 0 BCAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)c1ccccc1O ZINC000336529231 176494474 /nfs/dbraw/zinc/49/44/74/176494474.db2.gz FFAWVSIGEYBLDK-SCZZXKLOSA-N 1 0 220.272 0.954 10 0 BCAERO C[C@H](CCC[NH3+])C(=O)NC[C@H]1CCCO1 ZINC000076608337 176620055 /nfs/dbraw/zinc/62/00/55/176620055.db2.gz YKQNMIRTVVFQMO-NXEZZACHSA-N 1 0 214.309 0.657 10 0 BCAERO C[C@H](C[NH2+]C[C@@H](O)CO)c1ccccc1 ZINC000083345860 176680305 /nfs/dbraw/zinc/68/03/05/176680305.db2.gz HOBNPVYSPLZDPV-ZYHUDNBSSA-N 1 0 209.289 0.733 10 0 BCAERO C[C@H](CO)[NH2+][C@H](C)C(=O)N1CCCCC1 ZINC000035604898 176706655 /nfs/dbraw/zinc/70/66/55/176706655.db2.gz HGKLHKRGTDGNDE-NXEZZACHSA-N 1 0 214.309 0.358 10 0 BCAERO C[C@@H](NC(=O)[C@@H]1CCC[NH2+]C1)[C@H](C)CO ZINC000228732744 176709954 /nfs/dbraw/zinc/70/99/54/176709954.db2.gz AWYYYURTCHWDRF-OPRDCNLKSA-N 1 0 214.309 0.119 10 0 BCAERO C[C@H]([NH3+])C(=O)NC[C@H]1Cc2ccccc2O1 ZINC000038010032 176750067 /nfs/dbraw/zinc/75/00/67/176750067.db2.gz XCZVAJKLCVOPAG-WCBMZHEXSA-N 1 0 220.272 0.454 10 0 BCAERO C[C@H]([NH3+])CC(=O)Nc1ccc2oc(=O)[nH]c2c1 ZINC000037608468 176757738 /nfs/dbraw/zinc/75/77/38/176757738.db2.gz XOJBFKWSVIFAIM-LURJTMIESA-N 1 0 235.243 0.797 10 0 BCAERO C[C@H]([NH3+])Cn1nnc2ccccc2c1=O ZINC000036201805 176762997 /nfs/dbraw/zinc/76/29/97/176762997.db2.gz KSLOTKWDEWJGNV-ZETCQYMHSA-N 1 0 204.233 0.139 10 0 BCAERO C[C@H]([NH3+])Cc1noc([C@@H]2COCCO2)n1 ZINC000055305671 176763101 /nfs/dbraw/zinc/76/31/01/176763101.db2.gz ZGAKYGKPEDNBPW-BQBZGAKWSA-N 1 0 213.237 0.047 10 0 BCAERO C[C@H]([NH3+])[C@@H](O)c1ccc2c(c1)OCCO2 ZINC000032012129 176764979 /nfs/dbraw/zinc/76/49/79/176764979.db2.gz NIGVRCFJVXFFNZ-WRWORJQWSA-N 1 0 209.245 0.838 10 0 BCAERO C[C@H]([NH3+])[C@](O)(c1cncnc1)C(F)(F)F ZINC000062784519 176774038 /nfs/dbraw/zinc/77/40/38/176774038.db2.gz WQOCZYFSYMPNMO-FSPLSTOPSA-N 1 0 221.182 0.574 10 0 BCAERO CCN1CCO[C@H](C[NH2+][C@@H]2CN(C)C[C@H]2C)C1 ZINC000674882158 487635530 /nfs/dbraw/zinc/63/55/30/487635530.db2.gz GTXPCPOLDQLQOY-JHJVBQTASA-N 1 0 241.379 0.247 10 0 BCAERO C[C@H](NC(=O)[C@@H]1CC[C@@H]([NH3+])C1)[C@H]1CCCO1 ZINC000251557738 176809810 /nfs/dbraw/zinc/80/98/10/176809810.db2.gz MBHDNUHUHYFXOV-LNFKQOIKSA-N 1 0 226.320 0.798 10 0 BCAERO C[C@H]([NH2+]C[C@@H]1CCCO1)C(=O)N(C)C ZINC000020307565 176860146 /nfs/dbraw/zinc/86/01/46/176860146.db2.gz HEAHKZIUNRZZBT-IUCAKERBSA-N 1 0 200.282 0.232 10 0 BCAERO C[C@H](O)C1CCN(C(=O)C2([NH3+])CCCC2)CC1 ZINC000225415795 176946840 /nfs/dbraw/zinc/94/68/40/176946840.db2.gz AJCSIYBNQYEPFE-JTQLQIEISA-N 1 0 240.347 0.877 10 0 BCAERO C[C@H](O)[C@@H]([NH3+])c1nnc(C2CCCC2)[nH]1 ZINC000041058810 177006896 /nfs/dbraw/zinc/00/68/96/177006896.db2.gz SWLDGSWPHAICJE-POYBYMJQSA-N 1 0 210.281 0.843 10 0 BCAERO C[C@H](OCC[NH3+])C(=O)N1CCCCCC1 ZINC000051864281 177020993 /nfs/dbraw/zinc/02/09/93/177020993.db2.gz CQGHJFBILDBTCG-JTQLQIEISA-N 1 0 214.309 0.753 10 0 BCAERO C[C@H](O[C@@H]1CC[NH2+]C1)C(=O)N1CCCC1 ZINC000051782148 177021987 /nfs/dbraw/zinc/02/19/87/177021987.db2.gz PDUHMNPJHDCEAF-VHSXEESVSA-N 1 0 212.293 0.376 10 0 BCAERO C[C@H](c1cccnc1)N1CC[C@@H]([NH3+])C1=O ZINC000049648722 177046445 /nfs/dbraw/zinc/04/64/45/177046445.db2.gz STBLYCOEKCZOQL-PSASIEDQSA-N 1 0 205.261 0.702 10 0 BCAERO C[C@H]1C(=O)NCCN1Cc1ccc(C[NH3+])cc1 ZINC000104129127 177059828 /nfs/dbraw/zinc/05/98/28/177059828.db2.gz LQKDDDIBWJWTIY-JTQLQIEISA-N 1 0 233.315 0.466 10 0 BCAERO C[C@H]1CCCN1S(=O)(=O)C[C@@H]1CCC[NH2+]1 ZINC000049644223 177110768 /nfs/dbraw/zinc/11/07/68/177110768.db2.gz RFDOHBMDMDSYRI-UWVGGRQHSA-N 1 0 232.349 0.553 10 0 BCAERO C[C@@H]1CCC[C@H](C)C12NC(=O)N(CC[NH3+])C2=O ZINC000019413382 177114298 /nfs/dbraw/zinc/11/42/98/177114298.db2.gz DIRDBTMTYDHNNL-USUYBEQLSA-N 1 0 239.319 0.692 10 0 BCAERO C[C@H]1CCC[C@@H]([NH2+]CCS(N)(=O)=O)C1 ZINC000036745446 177123134 /nfs/dbraw/zinc/12/31/34/177123134.db2.gz SDLZCCDUYQHBNY-DTWKUNHWSA-N 1 0 220.338 0.443 10 0 BCAERO C[C@H]1CCC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC000037255665 177123357 /nfs/dbraw/zinc/12/33/57/177123357.db2.gz LVIWAKNZAGRMOD-JGVFFNPUSA-N 1 0 213.281 0.350 10 0 BCAERO C[C@H]1CCC[C@@](C(N)=O)(N2CC[NH2+]CC2)C1 ZINC000037945633 177127608 /nfs/dbraw/zinc/12/76/08/177127608.db2.gz REHKDFXSLDHJCR-CMPLNLGQSA-N 1 0 225.336 0.326 10 0 BCAERO C[C@H]1CCC[C@H](C(=O)NCCn2cccn2)[NH2+]1 ZINC000042542769 177128909 /nfs/dbraw/zinc/12/89/09/177128909.db2.gz KDDZZMASKQVANR-WDEREUQCSA-N 1 0 236.319 0.530 10 0 BCAERO C[C@H]1CCC[C@H](C(=O)N2CCN(C)CC2)[NH2+]1 ZINC000019488487 177128960 /nfs/dbraw/zinc/12/89/60/177128960.db2.gz RMRIGWPTBQXIFP-WDEREUQCSA-N 1 0 225.336 0.291 10 0 BCAERO C[C@H]1CCC[C@H](C(=O)NC2CCOCC2)[NH2+]1 ZINC000036319901 177129074 /nfs/dbraw/zinc/12/90/74/177129074.db2.gz HBRFVKWXORFWEC-GXSJLCMTSA-N 1 0 226.320 0.812 10 0 BCAERO C[C@H]1CCC[C@H](CN2C(=O)CCC2=O)[NH2+]1 ZINC000051574913 177133501 /nfs/dbraw/zinc/13/35/01/177133501.db2.gz TUEHHKFOJRFRLL-DTWKUNHWSA-N 1 0 210.277 0.666 10 0 BCAERO C[C@H]1CCC[C@](C(N)=O)(N2CC[NH2+]CC2)C1 ZINC000037945635 177143275 /nfs/dbraw/zinc/14/32/75/177143275.db2.gz REHKDFXSLDHJCR-JQWIXIFHSA-N 1 0 225.336 0.326 10 0 BCAERO C[C@H]1CCC[C@](CO)(NC(=O)C[NH3+])C1 ZINC000053127601 177143457 /nfs/dbraw/zinc/14/34/57/177143457.db2.gz PWMOMEYHGACXAL-WPRPVWTQSA-N 1 0 200.282 0.003 10 0 BCAERO C[C@H]1CCC[C@](CO)([NH+]2CCNCC2)C1 ZINC000038120549 177143890 /nfs/dbraw/zinc/14/38/90/177143890.db2.gz BSTHJHXVKRMGJB-RYUDHWBXSA-N 1 0 212.337 0.833 10 0 BCAERO C[C@H]1CCN(C(=O)C2CCOCC2)[C@@H](C[NH3+])C1 ZINC000235649007 177146067 /nfs/dbraw/zinc/14/60/67/177146067.db2.gz ADLIDOQJHAOYJF-CMPLNLGQSA-N 1 0 240.347 0.999 10 0 BCAERO C[C@H]1CCN(C(=O)[C@@H]2CCCO2)[C@@H](C[NH3+])C1 ZINC000235638826 177151911 /nfs/dbraw/zinc/15/19/11/177151911.db2.gz XHDRXZLGLBJNLN-AXFHLTTASA-N 1 0 226.320 0.751 10 0 BCAERO C[C@H]1CCN(C2(C[NH3+])CCS(=O)(=O)CC2)C1 ZINC000042332395 177157625 /nfs/dbraw/zinc/15/76/25/177157625.db2.gz ABNKGEGLLFNSMQ-JTQLQIEISA-N 1 0 246.376 0.234 10 0 BCAERO C[C@H]1CCN(CC(=O)NC2CC2)[C@@H](C[NH3+])C1 ZINC000224843512 177158659 /nfs/dbraw/zinc/15/86/59/177158659.db2.gz KOEGBUAMUKCMBK-GXSJLCMTSA-N 1 0 225.336 0.324 10 0 BCAERO C[C@H]1CCN(CCC(=O)NC2CC2)[C@H](C[NH3+])C1 ZINC000104419636 177159150 /nfs/dbraw/zinc/15/91/50/177159150.db2.gz FKXKVLHNYQMDHP-JQWIXIFHSA-N 1 0 239.363 0.714 10 0 BCAERO C[C@H]1CC[C@@H](C(=O)Nc2ccnn2C)C[NH2+]1 ZINC000044593822 177182066 /nfs/dbraw/zinc/18/20/66/177182066.db2.gz WBYWITLWUGCCOC-DTWKUNHWSA-N 1 0 222.292 0.747 10 0 BCAERO C[C@H]1CC[C@@H](CN2CCCS2(=O)=O)C[NH2+]1 ZINC000062037279 177189293 /nfs/dbraw/zinc/18/92/93/177189293.db2.gz NGSINPBFKRLBOD-VHSXEESVSA-N 1 0 232.349 0.410 10 0 BCAERO C[C@H]1CC[C@@H]([NH2+]C(CO)CO)C[C@@H]1C ZINC000083690043 177193636 /nfs/dbraw/zinc/19/36/36/177193636.db2.gz ABIFHESQIMASMT-LPEHRKFASA-N 1 0 201.310 0.754 10 0 BCAERO C[C@H]1CC[C@H](C(=O)N2CCC(O)CC2)C[C@@H]1[NH3+] ZINC000055123846 177196374 /nfs/dbraw/zinc/19/63/74/177196374.db2.gz PUNMNRASVMCESD-NHCYSSNCSA-N 1 0 240.347 0.733 10 0 BCAERO C[C@H]1CC[C@H](C(=O)NC2CCC(O)CC2)C[NH2+]1 ZINC000019477123 177196561 /nfs/dbraw/zinc/19/65/61/177196561.db2.gz UJFDWLUKNURCDT-JYBOHDQNSA-N 1 0 240.347 0.794 10 0 BCAERO C[C@H]1CN(C(=O)C[C@@H]2CC[NH2+]C2)CCS1 ZINC000122369322 177217872 /nfs/dbraw/zinc/21/78/72/177217872.db2.gz YIQHMIDXJFRLKQ-UWVGGRQHSA-N 1 0 228.361 0.950 10 0 BCAERO C[C@H]1CN(C(=O)[C@@H]2CCC[NH2+]C2)C[C@H](C)O1 ZINC000036998878 177222958 /nfs/dbraw/zinc/22/29/58/177222958.db2.gz HYWBZZHJNKSENM-GARJFASQSA-N 1 0 226.320 0.622 10 0 BCAERO C[C@H]1CN(C(=O)[C@@H]2CCC[NH2+]2)C[C@H](C)O1 ZINC000036998877 177222968 /nfs/dbraw/zinc/22/29/68/177222968.db2.gz VWRIBYLJTUWMQK-GUBZILKMSA-N 1 0 212.293 0.374 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N1C[C@H](C)OC(C)(C)C1 ZINC000104219234 177223254 /nfs/dbraw/zinc/22/32/54/177223254.db2.gz OHWWJLOTJFPPJH-OUAUKWLOSA-N 1 0 240.347 0.868 10 0 BCAERO C[C@H]1CN(C(=O)c2ccnc(C[NH3+])c2)CCO1 ZINC000129906782 177228800 /nfs/dbraw/zinc/22/88/00/177228800.db2.gz VOHMHGRUGZJQGD-VIFPVBQESA-N 1 0 235.287 0.401 10 0 BCAERO C[C@H]1CN(C(=O)c2coc(C[NH3+])c2)C[C@H](C)O1 ZINC000187184762 177232063 /nfs/dbraw/zinc/23/20/63/177232063.db2.gz ZNMMNPSKTNVLFF-IUCAKERBSA-N 1 0 238.287 0.988 10 0 BCAERO C[C@@H]1CO[C@@H](C)CN1C(=O)n1cc[n+](C)c1 ZINC000035788861 177232836 /nfs/dbraw/zinc/23/28/36/177232836.db2.gz BOVIDSGRFAUSCX-ZJUUUORDSA-N 1 0 224.284 0.390 10 0 BCAERO C[C@H]1CN(C2(C[NH3+])CCSCC2)CCO1 ZINC000042334916 177241096 /nfs/dbraw/zinc/24/10/96/177241096.db2.gz CKKSCIJZUFCEET-JTQLQIEISA-N 1 0 230.377 0.932 10 0 BCAERO C[C@H]1CN(CC(=O)N2CCC[C@@H](C)C2)C[C@@H]1[NH3+] ZINC000235307065 177244175 /nfs/dbraw/zinc/24/41/75/177244175.db2.gz ZGFMYTHPUVHGTD-WOPDTQHZSA-N 1 0 239.363 0.524 10 0 BCAERO C[C@H]1CN(CC(=O)c2ccco2)CC[NH2+]1 ZINC000095069478 177245569 /nfs/dbraw/zinc/24/55/69/177245569.db2.gz YCOSMXJHWZBQHO-VIFPVBQESA-N 1 0 208.261 0.756 10 0 BCAERO C[C@@H](O)C[N@@H+]1CCN(CCCF)C[C@@H]1C ZINC000128281705 177249929 /nfs/dbraw/zinc/24/99/29/177249929.db2.gz OMGSUWGMEVWLAA-WDEREUQCSA-N 1 0 218.316 0.733 10 0 BCAERO C[C@H]1C[N@H+](CCCn2ccc(N)n2)CCCO1 ZINC000071352496 177251304 /nfs/dbraw/zinc/25/13/04/177251304.db2.gz AMONPLADMXQCAU-NSHDSACASA-N 1 0 238.335 0.966 10 0 BCAERO C[C@H]1CN(CC[NH2+]C[C@@H]2CCCO2)CCCO1 ZINC000061936566 177252417 /nfs/dbraw/zinc/25/24/17/177252417.db2.gz SWFMIGLRFCCIJC-STQMWFEESA-N 1 0 242.363 0.866 10 0 BCAERO C[C@H]1CN(Cc2cccnc2C[NH3+])CCO1 ZINC000061656424 177265857 /nfs/dbraw/zinc/26/58/57/177265857.db2.gz PLIDFGSIJJSRPN-JTQLQIEISA-N 1 0 221.304 0.761 10 0 BCAERO C[C@@H](O)C[N@@H+]1CCN(Cc2ccncc2)C[C@@H]1C ZINC000130384950 177268108 /nfs/dbraw/zinc/26/81/08/177268108.db2.gz ZBKXNBHENQSMAJ-QWHCGFSZSA-N 1 0 249.358 0.969 10 0 BCAERO C[C@H]1CN(c2ccnc(N(C)C)n2)C[C@@H]1[NH3+] ZINC000235691514 177277351 /nfs/dbraw/zinc/27/73/51/177277351.db2.gz PGEZWPUVLWOURT-IUCAKERBSA-N 1 0 221.308 0.326 10 0 BCAERO C[C@H]1C[NH+]=C(N[C@@H]2CCS(=O)(=O)C2)S1 ZINC000035294821 177281166 /nfs/dbraw/zinc/28/11/66/177281166.db2.gz GETRIIZLPPKSAR-NKWVEPMBSA-N 1 0 234.346 0.254 10 0 BCAERO C[C@H]1C[NH2+]C[C@@H]1C(=O)NCCCOCC1CC1 ZINC000111263991 177285633 /nfs/dbraw/zinc/28/56/33/177285633.db2.gz GUODGYNLNJSJTG-JQWIXIFHSA-N 1 0 240.347 0.775 10 0 BCAERO C[C@@H]1C[C@H](C(=O)N2CCOC[C@@H]2C)CC[C@@H]1[NH3+] ZINC000055127596 177290171 /nfs/dbraw/zinc/29/01/71/177290171.db2.gz FBHCYKHIMJCATB-KXNHARMFSA-N 1 0 240.347 0.997 10 0 BCAERO C[C@H]1COCCN1C(=O)[C@@](C)([NH3+])C1CC1 ZINC000037479007 177290293 /nfs/dbraw/zinc/29/02/93/177290293.db2.gz SNGYFISNYLBWOT-KWQFWETISA-N 1 0 212.293 0.361 10 0 BCAERO C[C@H]1COCCN1Cc1cc(C[NH3+])no1 ZINC000052475962 177293031 /nfs/dbraw/zinc/29/30/31/177293031.db2.gz ZZDIAPNIXQWSCL-QMMMGPOBSA-N 1 0 211.265 0.354 10 0 BCAERO C[C@H]1CSC(N[C@@H]2CCS(=O)(=O)C2)=[NH+]1 ZINC000035294817 177302932 /nfs/dbraw/zinc/30/29/32/177302932.db2.gz VRYCSPATLXYGRR-NKWVEPMBSA-N 1 0 234.346 0.254 10 0 BCAERO C[C@H]1C[C@@H](O)C[N@H+](CCC(C)(C)O)C1 ZINC000307335839 177335590 /nfs/dbraw/zinc/33/55/90/177335590.db2.gz DVCFCDRZNIPDPB-VHSXEESVSA-N 1 0 201.310 0.850 10 0 BCAERO C[C@H]1C[C@@H]1C(=O)N1CCCN(CC[NH3+])CC1 ZINC000037038377 177340211 /nfs/dbraw/zinc/34/02/11/177340211.db2.gz BCRRQACIGBFWSM-QWRGUYRKSA-N 1 0 225.336 0.135 10 0 BCAERO C[C@H]1C[C@@H]1NS(=O)(=O)CC1CC[NH2+]CC1 ZINC000052295905 177349673 /nfs/dbraw/zinc/34/96/73/177349673.db2.gz JZRHCECJPZNOPI-WPRPVWTQSA-N 1 0 232.349 0.314 10 0 BCAERO C[C@H]1C[C@H]1C(=O)N1CCN(CCC[NH3+])CC1 ZINC000037037774 177376248 /nfs/dbraw/zinc/37/62/48/177376248.db2.gz MMGKTPMORLSKPV-WDEREUQCSA-N 1 0 225.336 0.135 10 0 BCAERO C[C@H]1NC(=O)CC[C@@H]1[NH2+]CCc1cccnc1 ZINC000282375182 177392958 /nfs/dbraw/zinc/39/29/58/177392958.db2.gz ODYRAJHQXNXANC-PWSUYJOCSA-N 1 0 233.315 0.881 10 0 BCAERO C[C@H]1NC(=O)CC[C@@H]1[NH2+]CCOCC1CC1 ZINC000336780754 177393348 /nfs/dbraw/zinc/39/33/48/177393348.db2.gz RZNARFBYVZXLFV-KOLCDFICSA-N 1 0 226.320 0.670 10 0 BCAERO C[C@H]1NC(=O)CC[C@H]1[NH2+]Cc1cc[nH]c1 ZINC000335605742 177393917 /nfs/dbraw/zinc/39/39/17/177393917.db2.gz IAQHVZBRZUFLCZ-PSASIEDQSA-N 1 0 207.277 0.771 10 0 BCAERO C[C@H]1NC(=O)CC[C@H]1[NH2+]Cc1ccnn1C ZINC000336728097 177394431 /nfs/dbraw/zinc/39/44/31/177394431.db2.gz CGOZEDFTYTWPBB-PSASIEDQSA-N 1 0 222.292 0.177 10 0 BCAERO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)N1CCCO1 ZINC000333773969 177395055 /nfs/dbraw/zinc/39/50/55/177395055.db2.gz CMTZUQYDEZTBHE-BDAKNGLRSA-N 1 0 213.281 0.474 10 0 BCAERO C[C@H]1[NH2+]CCC[C@H]1Nc1ccc(C(N)=O)nn1 ZINC000229598329 177396854 /nfs/dbraw/zinc/39/68/54/177396854.db2.gz WNLGLZORSVMWGZ-HTQZYQBOSA-N 1 0 235.291 0.128 10 0 BCAERO Cc1c(C(=O)N[C@@H]2CCCC[C@@H]2[NH3+])cnn1C ZINC000038048612 177568368 /nfs/dbraw/zinc/56/83/68/177568368.db2.gz DJEKSXXGXMGGHA-WDEREUQCSA-N 1 0 236.319 0.728 10 0 BCAERO CC(C)OC[C@H](O)Cn1cc(C(C)(C)[NH3+])nn1 ZINC000070118683 487639408 /nfs/dbraw/zinc/63/94/08/487639408.db2.gz LWDZHDYWTQUNAM-SECBINFHSA-N 1 0 242.323 0.258 10 0 BCAERO [NH3+][C@H]1C[C@@H](C(=O)NCC[C@H]2CCCO2)C1 ZINC000647918000 487640073 /nfs/dbraw/zinc/64/00/73/487640073.db2.gz OYSMIUKVIRFJBM-KXUCPTDWSA-N 1 0 212.293 0.409 10 0 BCAERO COC[C@@H]1CCCN1C(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000162820057 487643327 /nfs/dbraw/zinc/64/33/27/487643327.db2.gz PKGDJCYHOVVVBN-DCAQKATOSA-N 1 0 226.320 0.751 10 0 BCAERO OCC1(O)CC[NH+](C[C@@H]2CCC[C@H](O)C2)CC1 ZINC000313640538 487645146 /nfs/dbraw/zinc/64/51/46/487645146.db2.gz QAUHSEJSNUXSIV-NEPJUHHUSA-N 1 0 243.347 0.357 10 0 BCAERO Cc1nnc2c(NC[C@@H]3CCCC[NH2+]3)nccn12 ZINC000079471038 487647747 /nfs/dbraw/zinc/64/77/47/487647747.db2.gz ISAFSMUDZUZSQG-JTQLQIEISA-N 1 0 246.318 0.987 10 0 BCAERO CC(C)C[C@@H]([NH3+])C(=O)N[C@@H](C)CCCO ZINC000087360118 487647909 /nfs/dbraw/zinc/64/79/09/487647909.db2.gz CHGNWWHYPWIGOA-VHSXEESVSA-N 1 0 216.325 0.637 10 0 BCAERO CC(C)C[C@@H]([NH3+])C(=O)N[C@H](C)CCCO ZINC000087360120 487647683 /nfs/dbraw/zinc/64/76/83/487647683.db2.gz CHGNWWHYPWIGOA-NXEZZACHSA-N 1 0 216.325 0.637 10 0 BCAERO C[C@H](NC[C@@H](O)C(F)(F)F)[C@H]1CCC[NH2+]1 ZINC000400585271 226347523 /nfs/dbraw/zinc/34/75/23/226347523.db2.gz RWTHPPRITNYIRZ-XLPZGREQSA-N 1 0 226.242 0.640 10 0 BCAERO C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@H](C)C[C@@H](O)C1 ZINC000401778867 226361962 /nfs/dbraw/zinc/36/19/62/226361962.db2.gz AJZKQQRCOQIYKD-KXUCPTDWSA-N 1 0 214.309 0.166 10 0 BCAERO C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@H](C)C[C@H](O)C1 ZINC000401778869 226362169 /nfs/dbraw/zinc/36/21/69/226362169.db2.gz AJZKQQRCOQIYKD-UTLUCORTSA-N 1 0 214.309 0.166 10 0 BCAERO CC(C)CC(=O)N[C@]1(CO)CCC[NH2+]C1 ZINC000669384959 583950668 /nfs/dbraw/zinc/95/06/68/583950668.db2.gz PTKQPCWEAPXDRA-LLVKDONJSA-N 1 0 214.309 0.263 10 0 BCAERO Cc1nnsc1C(=O)NC[C@H]1CC[NH2+]C1 ZINC000087654964 487675300 /nfs/dbraw/zinc/67/53/00/487675300.db2.gz ZIRVEPZVFBGLPN-ZETCQYMHSA-N 1 0 226.305 0.186 10 0 BCAERO C[NH2+][C@H](C)C(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000054075246 487682578 /nfs/dbraw/zinc/68/25/78/487682578.db2.gz HDRZOBKVBSRWOT-OUAUKWLOSA-N 1 0 226.320 0.764 10 0 BCAERO C[C@@H](NC(=O)[C@@]1(C[NH3+])CCCOC1)C1CC1 ZINC000637892393 487683286 /nfs/dbraw/zinc/68/32/86/487683286.db2.gz JAORXCLPUJMEBI-BXKDBHETSA-N 1 0 226.320 0.657 10 0 BCAERO O=C(C[C@H]1CCC[NH2+]C1)N[C@H]1CCOC1 ZINC000087784999 487686090 /nfs/dbraw/zinc/68/60/90/487686090.db2.gz IMNJSBIITJTYHC-ZJUUUORDSA-N 1 0 212.293 0.281 10 0 BCAERO CCN(CC[NH3+])c1nc(OC)ncc1Cl ZINC000087799834 487688710 /nfs/dbraw/zinc/68/87/10/487688710.db2.gz JGIOPNBZDDZUAO-UHFFFAOYSA-N 1 0 230.699 0.924 10 0 BCAERO COC[C@H]([NH3+])C(=O)N(C)CCC(C)C ZINC000088003296 487697643 /nfs/dbraw/zinc/69/76/43/487697643.db2.gz RJSVBCQRXNLWPK-VIFPVBQESA-N 1 0 202.298 0.465 10 0 BCAERO COC[C@H]([NH3+])C(=O)Nc1cccc(C)c1O ZINC000088004997 487697711 /nfs/dbraw/zinc/69/77/11/487697711.db2.gz IRGPJTSHASQTCU-QMMMGPOBSA-N 1 0 224.260 0.613 10 0 BCAERO CC(C)OCC[NH2+]CC1(O)CCOCC1 ZINC000088034353 487699551 /nfs/dbraw/zinc/69/95/51/487699551.db2.gz NEHMQYUNKQGERC-UHFFFAOYSA-N 1 0 217.309 0.543 10 0 BCAERO OC1(C[NH2+]CC[C@H]2CCCO2)CCOCC1 ZINC000088034093 487699563 /nfs/dbraw/zinc/69/95/63/487699563.db2.gz VEAJWZQXXKOVDU-LLVKDONJSA-N 1 0 229.320 0.687 10 0 BCAERO Cn1nnnc1NCc1ccc2c(c1)C[NH2+]C2 ZINC000097830019 487704012 /nfs/dbraw/zinc/70/40/12/487704012.db2.gz BBCPASVSKFEEGU-UHFFFAOYSA-N 1 0 230.275 0.425 10 0 BCAERO CCCNC(=O)CNC(=O)C[C@H]1CCC[NH2+]C1 ZINC000054290881 487709175 /nfs/dbraw/zinc/70/91/75/487709175.db2.gz XUYRMVFEQDNZLB-SNVBAGLBSA-N 1 0 241.335 0.019 10 0 BCAERO C[C@H](O)C1CCN(C(=O)CC2([NH3+])CCC2)CC1 ZINC000226333104 487712757 /nfs/dbraw/zinc/71/27/57/487712757.db2.gz IDZRBVMMSRYHDO-JTQLQIEISA-N 1 0 240.347 0.877 10 0 BCAERO CCN(C[C@H]1CCOC1)C(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000233463451 487718899 /nfs/dbraw/zinc/71/88/99/487718899.db2.gz LSPKBGARGQPOBA-IJLUTSLNSA-N 1 0 240.347 0.727 10 0 BCAERO COC[C@H](C)NC(=O)[C@@H]1CC[NH2+][C@@H]1C ZINC000086270548 487719872 /nfs/dbraw/zinc/71/98/72/487719872.db2.gz LGNAXUZLXVTXGE-DJLDLDEBSA-N 1 0 200.282 0.136 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)NC[C@@H](C)C[C@H](C)O ZINC000398634618 487722872 /nfs/dbraw/zinc/72/28/72/487722872.db2.gz OVVLBQNJMVHOBY-GARJFASQSA-N 1 0 230.352 0.883 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)N(C)CC(=O)NC1CC1 ZINC000136313051 487725213 /nfs/dbraw/zinc/72/52/13/487725213.db2.gz VQAHPVSHRKMELH-SNVBAGLBSA-N 1 0 241.335 0.097 10 0 BCAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NCCCCO ZINC000384556597 487725892 /nfs/dbraw/zinc/72/58/92/487725892.db2.gz OIBOVZRRSHVLCA-UWVGGRQHSA-N 1 0 214.309 0.263 10 0 BCAERO CN(C(=O)[C@@H]1C[C@H]2C[C@H]2C1)[C@@H]1CC[NH2+]C1 ZINC000250436673 487732307 /nfs/dbraw/zinc/73/23/07/487732307.db2.gz SEFNDXYOUQQWDQ-LMLFDSFASA-N 1 0 208.305 0.853 10 0 BCAERO CC(C)[C@H](O)C[N@@H+]1CC[C@@H](N(C)C)C1 ZINC000226404063 487734799 /nfs/dbraw/zinc/73/47/99/487734799.db2.gz PHHXBPTUVWMXRD-GHMZBOCLSA-N 1 0 200.326 0.639 10 0 BCAERO CC(C)OC[C@H](O)C[NH2+]C[C@H]1CCC[C@H]1O ZINC000250591094 487735677 /nfs/dbraw/zinc/73/56/77/487735677.db2.gz SPSCDOVAPYXUPY-IJLUTSLNSA-N 1 0 231.336 0.523 10 0 BCAERO C[C@]1(C(=O)N[C@H](CO)C2CCC2)CCC[NH2+]1 ZINC000662851551 487735924 /nfs/dbraw/zinc/73/59/24/487735924.db2.gz BPIFZVSKUORVFC-ZYHUDNBSSA-N 1 0 226.320 0.406 10 0 BCAERO OCCN1CCC[C@@H]([NH2+][C@@H]2CCCC[C@H]2O)C1 ZINC000384712406 487737751 /nfs/dbraw/zinc/73/77/51/487737751.db2.gz MKCJJDIQDKHJRV-JHJVBQTASA-N 1 0 242.363 0.336 10 0 BCAERO CCO[C@H]1CCCN(C(=O)[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000233776971 487742142 /nfs/dbraw/zinc/74/21/42/487742142.db2.gz CZHGVRBHMPHOIO-GRYCIOLGSA-N 1 0 240.347 0.869 10 0 BCAERO COC[C@H](C)NC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000250973151 487745315 /nfs/dbraw/zinc/74/53/15/487745315.db2.gz GBDQFAKELJHITM-LPEHRKFASA-N 1 0 214.309 0.513 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)N[C@@H]2CCC[NH2+]CC2)O1 ZINC000226454264 487750723 /nfs/dbraw/zinc/75/07/23/487750723.db2.gz OAUAKQGPOGZZHN-GMTAPVOTSA-N 1 0 226.320 0.812 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)NCC23CC(C2)C[NH2+]3)O1 ZINC000662924027 487757842 /nfs/dbraw/zinc/75/78/42/487757842.db2.gz XDVZAESDAUDNNF-DKZWSVDFSA-N 1 0 224.304 0.422 10 0 BCAERO C[NH2+][C@@H](C)C(=O)N(C)C[C@H]1CCCO1 ZINC000054076557 487762056 /nfs/dbraw/zinc/76/20/56/487762056.db2.gz BYZUJLWSHBRXCG-DTWKUNHWSA-N 1 0 200.282 0.232 10 0 BCAERO CC(C)COC[C@H](O)C[NH2+]C[C@@H]1CCC[C@@H]1O ZINC000089168815 487765160 /nfs/dbraw/zinc/76/51/60/487765160.db2.gz RILSIHCEAJHZNW-XQQFMLRXSA-N 1 0 245.363 0.771 10 0 BCAERO [NH3+]C1CCC(C(=O)NC[C@H]2CCC[C@@H]2O)CC1 ZINC000089169987 487765175 /nfs/dbraw/zinc/76/51/75/487765175.db2.gz DZQBDTRVUBIXOC-RSJDFQLWSA-N 1 0 240.347 0.781 10 0 BCAERO CCc1cc(NC[C@H]2COCC[NH2+]2)nc(C)n1 ZINC000234167431 487766090 /nfs/dbraw/zinc/76/60/90/487766090.db2.gz DAMNXFULSWNHKJ-NSHDSACASA-N 1 0 236.319 0.748 10 0 BCAERO CCc1cc(C(=O)N2C[C@H]([NH3+])[C@@H](C)C2)n(C)n1 ZINC000234171653 487768231 /nfs/dbraw/zinc/76/82/31/487768231.db2.gz QZEDPKZELPKYBS-WPRPVWTQSA-N 1 0 236.319 0.402 10 0 BCAERO NC(=O)CC[NH2+]C[C@@H]1CCCC[C@@H]1O ZINC000082994983 487769677 /nfs/dbraw/zinc/76/96/77/487769677.db2.gz TWTOCNSFBWXTAK-IUCAKERBSA-N 1 0 200.282 0.003 10 0 BCAERO CCn1nc(C)cc1C(=O)N1C[C@H](C)[C@H]([NH3+])C1 ZINC000234201785 487770888 /nfs/dbraw/zinc/77/08/88/487770888.db2.gz MVSYVQCRJUZVEO-WCBMZHEXSA-N 1 0 236.319 0.631 10 0 BCAERO O=C1NCCC[C@H]1[NH2+]CCC1CCOCC1 ZINC000675730869 487771938 /nfs/dbraw/zinc/77/19/38/487771938.db2.gz SCZMOSLKTBSCNU-LLVKDONJSA-N 1 0 226.320 0.671 10 0 BCAERO C[C@H](NC(=O)[C@@H]1CCC[C@H]1C[NH3+])c1cn[nH]c1 ZINC000300416095 487782710 /nfs/dbraw/zinc/78/27/10/487782710.db2.gz IKEWCOWVLGIMOZ-ATZCPNFKSA-N 1 0 236.319 0.962 10 0 BCAERO C[C@H](NC(=O)[C@H]1CC[NH2+]C1)[C@H]1CCCO1 ZINC000251728136 487792579 /nfs/dbraw/zinc/79/25/79/487792579.db2.gz ZQYSGDDMOQARKB-LPEHRKFASA-N 1 0 212.293 0.280 10 0 BCAERO C[C@@]1(C(F)F)CN(C(=O)[C@@H]2CC[NH2+]C2)CCO1 ZINC000663002757 487802094 /nfs/dbraw/zinc/80/20/94/487802094.db2.gz SCEIBAAFAHVAAN-KCJUWKMLSA-N 1 0 248.273 0.479 10 0 BCAERO CNC(=O)[C@@H](C)CN(C)C(=O)C[C@@H]([NH3+])C(C)C ZINC000234342478 487803939 /nfs/dbraw/zinc/80/39/39/487803939.db2.gz OPCXEDBWCYYATP-VHSXEESVSA-N 1 0 243.351 0.200 10 0 BCAERO CC(C)[C@@H]([NH3+])CC(=O)NCC(F)(F)CN ZINC000309248021 487805627 /nfs/dbraw/zinc/80/56/27/487805627.db2.gz CZROCHUYDUCYKA-ZETCQYMHSA-N 1 0 223.267 0.070 10 0 BCAERO CC[C@@H]1CN(C(=O)[C@@H]2CCC[C@H]2C[NH3+])CCO1 ZINC000251917087 487807820 /nfs/dbraw/zinc/80/78/20/487807820.db2.gz YEEFCKHMQYNUAM-QJPTWQEYSA-N 1 0 240.347 0.999 10 0 BCAERO CC1(C)CN(C(=O)[C@H]2CCC[C@@H]2C[NH3+])CCO1 ZINC000089451145 487816236 /nfs/dbraw/zinc/81/62/36/487816236.db2.gz NDAPPDBUKKGCLZ-MNOVXSKESA-N 1 0 240.347 0.999 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)NC[C@@H]1CCCOC1 ZINC000089458200 487819641 /nfs/dbraw/zinc/81/96/41/487819641.db2.gz YZSBMBSGKMEHGQ-SRVKXCTJSA-N 1 0 240.347 0.904 10 0 BCAERO Cn1nccc1CNC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000089462382 487822513 /nfs/dbraw/zinc/82/25/13/487822513.db2.gz OHGXELPLOZTCGI-ONGXEEELSA-N 1 0 236.319 0.411 10 0 BCAERO Cn1nccc1CNC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000089462381 487822532 /nfs/dbraw/zinc/82/25/32/487822532.db2.gz OHGXELPLOZTCGI-GXSJLCMTSA-N 1 0 236.319 0.411 10 0 BCAERO CN(Cc1ncc[nH]1)C(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089463201 487823000 /nfs/dbraw/zinc/82/30/00/487823000.db2.gz HFHLTVZTPBQXQE-ZJUUUORDSA-N 1 0 236.319 0.743 10 0 BCAERO CN(Cc1ncc[nH]1)C(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000089463203 487823208 /nfs/dbraw/zinc/82/32/08/487823208.db2.gz HFHLTVZTPBQXQE-VHSXEESVSA-N 1 0 236.319 0.743 10 0 BCAERO C[NH2+][C@@H](C)CNC(=O)C[C@H]1CCCO1 ZINC000234418894 487824004 /nfs/dbraw/zinc/82/40/04/487824004.db2.gz CXHFREQDFRLYSM-DTWKUNHWSA-N 1 0 200.282 0.280 10 0 BCAERO C[NH2+][C@H](C)CNC(=O)CCc1ccco1 ZINC000234427370 487825891 /nfs/dbraw/zinc/82/58/91/487825891.db2.gz NYCYVCCYNYWCOM-SECBINFHSA-N 1 0 210.277 0.936 10 0 BCAERO C[C@@H]1OCC[C@@H]1NC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000252741786 487832457 /nfs/dbraw/zinc/83/24/57/487832457.db2.gz JBIFFFLNONYSSA-MMWGEVLESA-N 1 0 226.320 0.655 10 0 BCAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+][C@H]1CO[C@@H](C2CC2)C1 ZINC000668103330 487838914 /nfs/dbraw/zinc/83/89/14/487838914.db2.gz IKUMMNZSTODWLQ-ZDDJMSTPSA-N 1 0 238.331 0.811 10 0 BCAERO COC[C@@H](CN1CC[N@@H+]2CCCC[C@@H]2C1)OC ZINC000234696702 487855040 /nfs/dbraw/zinc/85/50/40/487855040.db2.gz FFAJSLKZQUXFDD-CHWSQXEVSA-N 1 0 242.363 0.818 10 0 BCAERO CC[C@H]([NH3+])C(=O)N[C@H](C)c1ncc(C)o1 ZINC000226707283 487884037 /nfs/dbraw/zinc/88/40/37/487884037.db2.gz QUIHSDWMHHJSLT-SFYZADRCSA-N 1 0 211.265 0.898 10 0 BCAERO C[NH2+][C@H](C)CNC(=O)c1cccnc1OC ZINC000304327741 487889267 /nfs/dbraw/zinc/88/92/67/487889267.db2.gz TYKZURRQTPGNRQ-MRVPVSSYSA-N 1 0 223.276 0.428 10 0 BCAERO Cc1ccnc(N2CC[C@@H]3OCC[NH2+][C@H]3C2)n1 ZINC000403977887 487904200 /nfs/dbraw/zinc/90/42/00/487904200.db2.gz ADVGHIQLFWRNHJ-QWRGUYRKSA-N 1 0 234.303 0.352 10 0 BCAERO CC[C@H](O)CCNC(=O)C1CCC([NH3+])CC1 ZINC000157585049 487914564 /nfs/dbraw/zinc/91/45/64/487914564.db2.gz RZDSNZOEMLBLHG-ILDUYXDCSA-N 1 0 228.336 0.781 10 0 BCAERO C[C@]1(NC(=O)C2CCC([NH3+])CC2)CCOC1 ZINC000229461974 487915944 /nfs/dbraw/zinc/91/59/44/487915944.db2.gz FZCBOOYSNIJHAO-CBINBANVSA-N 1 0 226.320 0.799 10 0 BCAERO C[C@@H]([NH2+]CCC(N)=O)c1cncc(F)c1 ZINC000235180954 487930511 /nfs/dbraw/zinc/93/05/11/487930511.db2.gz GCOXSAFWDPIYMK-SSDOTTSWSA-N 1 0 211.240 0.747 10 0 BCAERO COC[C@H](C)NC(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000055086601 487934659 /nfs/dbraw/zinc/93/46/59/487934659.db2.gz CCZKCIKFHFTKGB-AEJSXWLSSA-N 1 0 214.309 0.655 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)N[C@@H](C)c1cn[nH]c1 ZINC000229706437 487937455 /nfs/dbraw/zinc/93/74/55/487937455.db2.gz ASVHQAKAGXMBCA-WCBMZHEXSA-N 1 0 224.308 0.960 10 0 BCAERO CC(C)[C@@H]([NH3+])CC(=O)N[C@H](C)c1cn[nH]c1 ZINC000229706446 487937227 /nfs/dbraw/zinc/93/72/27/487937227.db2.gz ASVHQAKAGXMBCA-SCZZXKLOSA-N 1 0 224.308 0.960 10 0 BCAERO CC(C)OC[C@@H](O)C[NH2+][C@@H]1CCO[C@@H]1C ZINC000134540263 323024772 /nfs/dbraw/zinc/02/47/72/323024772.db2.gz HAEHJOHPHOJRSE-OUAUKWLOSA-N 1 0 217.309 0.539 10 0 BCAERO CCc1nnc(CN2CCC[C@@H]([NH3+])C2)n1C ZINC000569848139 323042491 /nfs/dbraw/zinc/04/24/91/323042491.db2.gz SMPYMMKCZLHXMS-SECBINFHSA-N 1 0 223.324 0.301 10 0 BCAERO CC(C)(C)[C@@H](O)C[NH2+]CC1(CO)CCOCC1 ZINC000570515806 323061550 /nfs/dbraw/zinc/06/15/50/323061550.db2.gz VAHHKXQEGDGPHF-NSHDSACASA-N 1 0 245.363 0.772 10 0 BCAERO CC(C)(C)OCC[NH2+]CC1(O)CCOCC1 ZINC000164416742 323077284 /nfs/dbraw/zinc/07/72/84/323077284.db2.gz TWLZQEMHBRTYFL-UHFFFAOYSA-N 1 0 231.336 0.933 10 0 BCAERO CCC1(C(=O)N2CC[C@@H]3OCC[NH2+][C@H]3C2)CC1 ZINC000403977173 323092083 /nfs/dbraw/zinc/09/20/83/323092083.db2.gz DPJPZHOXVVNYHM-QWRGUYRKSA-N 1 0 238.331 0.766 10 0 BCAERO c1ccc(CN2CC[C@@H]3OCC[NH2+][C@H]3C2)nc1 ZINC000404066780 323104825 /nfs/dbraw/zinc/10/48/25/323104825.db2.gz BEUSYQAHNQLNNA-STQMWFEESA-N 1 0 233.315 0.644 10 0 BCAERO CC[NH+]1CCN(Cc2nnc(C)n2C)CC1 ZINC000051121409 323173666 /nfs/dbraw/zinc/17/36/66/323173666.db2.gz JIADGXRDIHGUCQ-UHFFFAOYSA-N 1 0 223.324 0.261 10 0 BCAERO CC(C)C[C@H](C[NH+](C)C)NS(C)(=O)=O ZINC000070226936 323174713 /nfs/dbraw/zinc/17/47/13/323174713.db2.gz SXMUPRJEFGCYFO-SECBINFHSA-N 1 0 222.354 0.512 10 0 BCAERO CC[N@@H+]1CC[C@@H](NCc2ccnc(OC)n2)C1 ZINC000395117632 323187743 /nfs/dbraw/zinc/18/77/43/323187743.db2.gz HUUUASUGOZULEF-LLVKDONJSA-N 1 0 236.319 0.669 10 0 BCAERO Nc1cc(NC2=[NH+]CCN2)c(F)cc1F ZINC000521402201 323201302 /nfs/dbraw/zinc/20/13/02/323201302.db2.gz XNVAQFNVIVSXSN-UHFFFAOYSA-N 1 0 212.203 0.918 10 0 BCAERO Nc1ccc(F)c(F)c1NC1=[NH+]CCN1 ZINC000521401924 323201334 /nfs/dbraw/zinc/20/13/34/323201334.db2.gz RNMMRSXRDZOHQK-UHFFFAOYSA-N 1 0 212.203 0.918 10 0 BCAERO COC(=O)CCC[N@@H+]1C[C@H](O)CC[C@@H]1C ZINC000399310276 323203456 /nfs/dbraw/zinc/20/34/56/323203456.db2.gz QUQUESOFSIXOPB-VHSXEESVSA-N 1 0 215.293 0.785 10 0 BCAERO C[C@H]1CC[C@H](O)C[N@@H+]1Cc1cnn(C)c1 ZINC000399327689 323203996 /nfs/dbraw/zinc/20/39/96/323203996.db2.gz MPMDVBAILBFWDD-ONGXEEELSA-N 1 0 209.293 0.765 10 0 BCAERO C[C@H]1CC[C@@H](O)C[N@@H+]1Cc1cnn(C)c1 ZINC000399327686 323204012 /nfs/dbraw/zinc/20/40/12/323204012.db2.gz MPMDVBAILBFWDD-GXSJLCMTSA-N 1 0 209.293 0.765 10 0 BCAERO Cc1cnccc1CN1CC[C@H]2OCC[NH2+][C@H]2C1 ZINC000530225645 323219117 /nfs/dbraw/zinc/21/91/17/323219117.db2.gz OVLSNHZILCWGHT-UONOGXRCSA-N 1 0 247.342 0.953 10 0 BCAERO CC(C)n1cc(C[NH2+]CC2CC(O)C2)nn1 ZINC000309324691 323343369 /nfs/dbraw/zinc/34/33/69/323343369.db2.gz HQUBBTCFLWZGMZ-UHFFFAOYSA-N 1 0 224.308 0.720 10 0 BCAERO CCO[C@@H](CC)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000158453985 487958608 /nfs/dbraw/zinc/95/86/08/487958608.db2.gz GCJUYBJOZQROCA-UWVGGRQHSA-N 1 0 214.309 0.751 10 0 BCAERO CC(C)(C)[C@H](O)C[NH2+]CCN1CCC(O)CC1 ZINC000321138261 323601160 /nfs/dbraw/zinc/60/11/60/323601160.db2.gz DIELFMMBXZSKAJ-GFCCVEGCSA-N 1 0 244.379 0.440 10 0 BCAERO [NH3+]C[C@@H]1CCC2(CCS(=O)(=O)CC2)O1 ZINC000307577674 323948642 /nfs/dbraw/zinc/94/86/42/323948642.db2.gz PXJJTPCRJDDULB-QMMMGPOBSA-N 1 0 219.306 0.072 10 0 BCAERO Cn1nccc1[C@@H](C[NH3+])C1(CO)CCC1 ZINC000536952155 323958175 /nfs/dbraw/zinc/95/81/75/323958175.db2.gz BBKJOULPZOBSHP-SECBINFHSA-N 1 0 209.293 0.625 10 0 BCAERO CCN1CC(=O)Nc2cc(C[NH3+])cnc21 ZINC000536954800 323963175 /nfs/dbraw/zinc/96/31/75/323963175.db2.gz MHHABVHXSYDRBN-UHFFFAOYSA-N 1 0 206.249 0.319 10 0 BCAERO CCOC(=O)CN1CCS[C@@H](C)C1 ZINC000122545074 324048014 /nfs/dbraw/zinc/04/80/14/324048014.db2.gz KYIPNFHEOJLZGW-QMMMGPOBSA-N 1 0 203.307 0.987 10 0 BCAERO CC(C)n1nnnc1CN(C)[C@H](C[NH3+])C1CC1 ZINC000520813143 324109996 /nfs/dbraw/zinc/10/99/96/324109996.db2.gz RVFNZUYWXQULSB-SNVBAGLBSA-N 1 0 238.339 0.423 10 0 BCAERO OC[C@@H]1C[NH+](Cc2ccco2)C[C@H]1CO ZINC000529641148 324369942 /nfs/dbraw/zinc/36/99/42/324369942.db2.gz ZCWVGMIJOUOPSI-UWVGGRQHSA-N 1 0 211.261 0.312 10 0 BCAERO CCC[C@H](C)C[NH+]1C[C@@H](CO)[C@H](CO)C1 ZINC000529640407 324369967 /nfs/dbraw/zinc/36/99/67/324369967.db2.gz UBZOWMMWZMXMQS-SRVKXCTJSA-N 1 0 215.337 0.955 10 0 BCAERO Cc1cnccc1CN1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000530223482 324542949 /nfs/dbraw/zinc/54/29/49/324542949.db2.gz KFJKKTVXXCXYDP-QWHCGFSZSA-N 1 0 233.315 0.563 10 0 BCAERO C[C@@H](NC(=O)c1ccc(C[NH+](C)C)cc1)C(N)=O ZINC000073523971 325202978 /nfs/dbraw/zinc/20/29/78/325202978.db2.gz ZPHTVMKRYVNLMV-SECBINFHSA-N 1 0 249.314 0.352 10 0 BCAERO CSC[C@H](O)C[NH2+][C@H](C)[C@H]1CCCO1 ZINC000249444351 325649229 /nfs/dbraw/zinc/64/92/29/325649229.db2.gz KTAZYWJIZDEMBX-OPRDCNLKSA-N 1 0 219.350 0.867 10 0 BCAERO COC[C@@H](NC(=O)[C@@H]1CCC[NH2+][C@@H]1C)C1CC1 ZINC000564838346 325814613 /nfs/dbraw/zinc/81/46/13/325814613.db2.gz PUTKMYUTBALRRP-YUSALJHKSA-N 1 0 240.347 0.916 10 0 BCAERO COC(=O)CCCN1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC000404187311 325921423 /nfs/dbraw/zinc/92/14/23/325921423.db2.gz GLFGLLCKCHZPOR-MNOVXSKESA-N 1 0 242.319 0.002 10 0 BCAERO CCOC[C@@H]1CCN(C(=O)[C@@H](C)[NH2+]C)C1 ZINC000566474073 326053695 /nfs/dbraw/zinc/05/36/95/326053695.db2.gz NYYUNAFNNSXBTO-NXEZZACHSA-N 1 0 214.309 0.479 10 0 BCAERO Cc1cnn(CCNC(=O)C[C@H](C)[NH3+])c1 ZINC000235487481 487971638 /nfs/dbraw/zinc/97/16/38/487971638.db2.gz VTIGCVHUYPNOHW-VIFPVBQESA-N 1 0 210.281 0.045 10 0 BCAERO C[C@@H](CC(N)=O)[NH2+][C@@H](CO)C1CCCCC1 ZINC000309719294 326164792 /nfs/dbraw/zinc/16/47/92/326164792.db2.gz BHJOGVVXIMYUAZ-ONGXEEELSA-N 1 0 228.336 0.781 10 0 BCAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)CN(C)C)C1 ZINC000155420715 326195433 /nfs/dbraw/zinc/19/54/33/326195433.db2.gz FSTISTNFMUFNCW-MNOVXSKESA-N 1 0 227.352 0.393 10 0 BCAERO CCC[C@@H](C(=O)N1CC(CO)C1)[NH+](C)C ZINC000156966201 326250899 /nfs/dbraw/zinc/25/08/99/326250899.db2.gz JRBOTYMJZYJANM-JTQLQIEISA-N 1 0 214.309 0.167 10 0 BCAERO CCc1nnc(CN2CCC[C@H]([NH2+]C)C2)n1C ZINC000567893643 326278492 /nfs/dbraw/zinc/27/84/92/326278492.db2.gz DUJAMVOFPZUNRT-JTQLQIEISA-N 1 0 237.351 0.561 10 0 BCAERO [NH3+][C@@H]1CC[C@H](C(=O)N2CC[C@@H]3OCC[C@@H]3C2)C1 ZINC000567927056 326284505 /nfs/dbraw/zinc/28/45/05/326284505.db2.gz TVQJPRCRMLMTSP-QCNOEVLYSA-N 1 0 238.331 0.751 10 0 BCAERO CCC[C@@H](C(=O)NCC(=O)NC1CC1)[NH+](C)C ZINC000159167800 326351572 /nfs/dbraw/zinc/35/15/72/326351572.db2.gz PMFRJRIRYZVGRU-JTQLQIEISA-N 1 0 241.335 0.112 10 0 BCAERO CC(C)n1nnnc1CN1C[C@@H](C[NH3+])C[C@H]1C ZINC000568765618 326376366 /nfs/dbraw/zinc/37/63/66/326376366.db2.gz OVKYZGRACXGRSR-NXEZZACHSA-N 1 0 238.339 0.423 10 0 BCAERO CC(C)n1nnnc1CN1C[C@H](C[NH3+])C[C@H]1C ZINC000568765621 326376502 /nfs/dbraw/zinc/37/65/02/326376502.db2.gz OVKYZGRACXGRSR-ZJUUUORDSA-N 1 0 238.339 0.423 10 0 BCAERO CN(C)C(=O)CCC[NH2+]C[C@@H](O)C(C)(C)C ZINC000324392071 326415717 /nfs/dbraw/zinc/41/57/17/326415717.db2.gz ZBDNWMVLIZVNAS-SNVBAGLBSA-N 1 0 230.352 0.851 10 0 BCAERO C[C@H]1OCC[C@H]1NC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000134260115 487975890 /nfs/dbraw/zinc/97/58/90/487975890.db2.gz ZEWCCFSGNQFTSJ-DOLQZWNJSA-N 1 0 212.293 0.407 10 0 BCAERO C[C@@H]1OCC[C@@H]1NC(=O)C1CCC([NH3+])CC1 ZINC000134556174 487989569 /nfs/dbraw/zinc/98/95/69/487989569.db2.gz WDWDVWODMKZFLM-PMUOWJKOSA-N 1 0 226.320 0.798 10 0 BCAERO C[C@@H]1OCC[C@H]1NC(=O)CCC(C)(C)[NH3+] ZINC000134549745 487990012 /nfs/dbraw/zinc/99/00/12/487990012.db2.gz GNLYBBZJWBWJKS-DTWKUNHWSA-N 1 0 214.309 0.798 10 0 BCAERO CC(C)(C)c1noc([C@@H]2C[C@H](O)C[NH2+]2)n1 ZINC000159077643 487992559 /nfs/dbraw/zinc/99/25/59/487992559.db2.gz HVYPARWPUCTOBC-BQBZGAKWSA-N 1 0 211.265 0.762 10 0 BCAERO CN1C[C@H](C[NH2+][C@H]2CO[C@@H](C3CC3)C2)CC1=O ZINC000668617489 488014736 /nfs/dbraw/zinc/01/47/36/488014736.db2.gz YWSWWVRMDQXCFO-MVWJERBFSA-N 1 0 238.331 0.622 10 0 BCAERO CC(C)NC(=O)N(C)C[C@H]1CN(C)CCO1 ZINC000074902170 488025208 /nfs/dbraw/zinc/02/52/08/488025208.db2.gz UTCCGIYVHJUXLG-SNVBAGLBSA-N 1 0 229.324 0.367 10 0 BCAERO Cc1cnc(C)c(NC[C@@H]2COCC[NH2+]2)n1 ZINC000235928908 488031336 /nfs/dbraw/zinc/03/13/36/488031336.db2.gz SIIFZMROJODGFL-SNVBAGLBSA-N 1 0 222.292 0.494 10 0 BCAERO OC[C@@H]1CSCC[N@@H+]1C[C@@H]1CCC[C@H](O)C1 ZINC000388201175 488033854 /nfs/dbraw/zinc/03/38/54/488033854.db2.gz SUHLVSAVKGBDCQ-UTUOFQBUSA-N 1 0 245.388 0.947 10 0 BCAERO CC(=O)N[C@@H]1CCCN(C(=O)CC(C)(C)[NH3+])C1 ZINC000084181932 488034121 /nfs/dbraw/zinc/03/41/21/488034121.db2.gz XJMAAQSILDZIKH-SNVBAGLBSA-N 1 0 241.335 0.241 10 0 BCAERO NC(=O)[C@@]1(O)CCC[N@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000660523667 488036070 /nfs/dbraw/zinc/03/60/70/488036070.db2.gz ZWEKGZQFPNVVRU-LSCVPOLPSA-N 1 0 238.331 0.345 10 0 BCAERO Cc1noc(CN(C)C(=O)C[C@H]([NH3+])C(C)C)n1 ZINC000655527682 488037178 /nfs/dbraw/zinc/03/71/78/488037178.db2.gz YVMROWLHOKDBBE-VIFPVBQESA-N 1 0 240.307 0.710 10 0 BCAERO CC(C)([NH3+])CC(=O)NC[C@@H]1CCC[C@H]1O ZINC000084238791 488039819 /nfs/dbraw/zinc/03/98/19/488039819.db2.gz BAJTVTYFANLLBG-DTWKUNHWSA-N 1 0 214.309 0.391 10 0 BCAERO O=C(CC[NH2+]C1CC1)NC[C@@H]1CCC[C@H]1O ZINC000084238248 488039728 /nfs/dbraw/zinc/03/97/28/488039728.db2.gz QIKZSKHPWYFEQD-GXSJLCMTSA-N 1 0 226.320 0.406 10 0 BCAERO O=C(CC[NH2+]C1CC1)NC[C@H]1CCC[C@@H]1O ZINC000084238252 488039736 /nfs/dbraw/zinc/03/97/36/488039736.db2.gz QIKZSKHPWYFEQD-KOLCDFICSA-N 1 0 226.320 0.406 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)NC[C@@H]1CCCO1 ZINC000084308966 488043269 /nfs/dbraw/zinc/04/32/69/488043269.db2.gz OIDAWEMTAWZJLU-DCAQKATOSA-N 1 0 226.320 0.657 10 0 BCAERO COC[C@H](C)NC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000084308788 488043286 /nfs/dbraw/zinc/04/32/86/488043286.db2.gz GBDQFAKELJHITM-AEJSXWLSSA-N 1 0 214.309 0.513 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)Nc1nncs1 ZINC000084309062 488043306 /nfs/dbraw/zinc/04/33/06/488043306.db2.gz BRTCIVPNWNESBX-BQBZGAKWSA-N 1 0 226.305 0.852 10 0 BCAERO COCCN(C)C(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000084309998 488044223 /nfs/dbraw/zinc/04/42/23/488044223.db2.gz YRFVHIDWVDYUTM-UWVGGRQHSA-N 1 0 214.309 0.466 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)NCc1c[nH]cn1 ZINC000084311431 488045092 /nfs/dbraw/zinc/04/50/92/488045092.db2.gz PDCGEKPGLACRCZ-WPRPVWTQSA-N 1 0 222.292 0.401 10 0 BCAERO C[C@H]1CN(C(=O)COC2(C)C[NH2+]C2)CCS1 ZINC000165840591 488045461 /nfs/dbraw/zinc/04/54/61/488045461.db2.gz VEPRNEYLGGOVCP-VIFPVBQESA-N 1 0 244.360 0.329 10 0 BCAERO O=C(C[C@@H]1CC[NH2+]C1)NCC[C@@H]1CCCO1 ZINC000084382487 488048217 /nfs/dbraw/zinc/04/82/17/488048217.db2.gz FFSLNVAJGZJIGK-QWRGUYRKSA-N 1 0 226.320 0.671 10 0 BCAERO O=C(C[C@@H]1CC[NH2+]C1)N[C@H]1CCC[C@H](O)C1 ZINC000084382238 488048395 /nfs/dbraw/zinc/04/83/95/488048395.db2.gz KMXAELGVYNJVJA-DCAQKATOSA-N 1 0 226.320 0.406 10 0 BCAERO CCN(C)C(=O)[C@H](C)[NH2+]C[C@H](O)C(C)(C)C ZINC000304194092 488050600 /nfs/dbraw/zinc/05/06/00/488050600.db2.gz BAEVBYMPWQQAHI-UWVGGRQHSA-N 1 0 230.352 0.850 10 0 BCAERO CC[C@@](C)(O)C[N@@H+]1CCC[C@@](CO)(OC)C1 ZINC000401720245 488056235 /nfs/dbraw/zinc/05/62/35/488056235.db2.gz NFRXUWMTJVPVGU-VXGBXAGGSA-N 1 0 231.336 0.621 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)NCc1cnn(C)c1 ZINC000128997866 488063002 /nfs/dbraw/zinc/06/30/02/488063002.db2.gz FBKMJJCWNVLAQZ-SNVBAGLBSA-N 1 0 224.308 0.410 10 0 BCAERO CO[C@@]1(CO)CCC[N@@H+]([C@H]2CCOC2)C1 ZINC000401788459 488066468 /nfs/dbraw/zinc/06/64/68/488066468.db2.gz VEOSWORJLKUZER-QWRGUYRKSA-N 1 0 215.293 0.249 10 0 BCAERO C[C@@H](CNC(=O)C1([NH3+])CCOCC1)C1CC1 ZINC000159666319 488074075 /nfs/dbraw/zinc/07/40/75/488074075.db2.gz PVROHQXASPZPSG-VIFPVBQESA-N 1 0 226.320 0.657 10 0 BCAERO CO[C@H]1CCCN(C(=O)C[C@H]([NH3+])C(C)C)C1 ZINC000230246732 488078292 /nfs/dbraw/zinc/07/82/92/488078292.db2.gz ZPRAHMYTDQQVPL-QWRGUYRKSA-N 1 0 228.336 0.997 10 0 BCAERO O=C(CCCCO)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000092172261 488083932 /nfs/dbraw/zinc/08/39/32/488083932.db2.gz CZEYKSONQBIHEG-LLVKDONJSA-N 1 0 226.320 0.456 10 0 BCAERO O=C(C[C@H]1CC[NH2+]C1)NC[C@H]1CCCC[C@@H]1O ZINC000227639953 488095595 /nfs/dbraw/zinc/09/55/95/488095595.db2.gz AQPCBMHMVINJOX-UTUOFQBUSA-N 1 0 240.347 0.653 10 0 BCAERO CCN(C(=O)[C@@H](C)[NH2+]C)[C@H]1CCCOC1 ZINC000402717583 488099894 /nfs/dbraw/zinc/09/98/94/488099894.db2.gz UUZIGDSZSIQDOZ-ZJUUUORDSA-N 1 0 214.309 0.622 10 0 BCAERO COC[C@@H](C)C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000237154794 488106158 /nfs/dbraw/zinc/10/61/58/488106158.db2.gz DEMVKYNNKPKHPK-BDAKNGLRSA-N 1 0 200.282 0.089 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)N[C@H]1c2ccccc2C[C@@H]1O ZINC000192593708 488111518 /nfs/dbraw/zinc/11/15/18/488111518.db2.gz ZKYWOSGBUIMCSN-AGIUHOORSA-N 1 0 248.326 0.888 10 0 BCAERO C[NH2+][C@H](C)C(=O)N[C@@H](COC)C1CC1 ZINC000397335046 488112272 /nfs/dbraw/zinc/11/22/72/488112272.db2.gz XZEVCEQLVUYENY-APPZFPTMSA-N 1 0 200.282 0.136 10 0 BCAERO Cn1cc(CN[C@@H]2CCC[NH2+]CC2)nn1 ZINC000389834929 488116407 /nfs/dbraw/zinc/11/64/07/488116407.db2.gz MXTDCYGWQKRZNA-SECBINFHSA-N 1 0 209.297 0.047 10 0 BCAERO CO[C@@H](C[NH3+])CC(=O)NCC[C@@H]1CCCO1 ZINC000232117275 488118469 /nfs/dbraw/zinc/11/84/69/488118469.db2.gz MWPXSAFWRRDLSN-VHSXEESVSA-N 1 0 230.308 0.036 10 0 BCAERO CCNC(=O)c1ccc(NC[C@H](C)[NH2+]C)nn1 ZINC000310231471 488118894 /nfs/dbraw/zinc/11/88/94/488118894.db2.gz PQOXLDYFSFKFOQ-QMMMGPOBSA-N 1 0 237.307 0.246 10 0 BCAERO O=C(NC[C@@H]1C[NH2+]CCCO1)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000389856228 488119628 /nfs/dbraw/zinc/11/96/28/488119628.db2.gz WAAWTKIJLOYBKB-USZNOCQGSA-N 1 0 238.331 0.527 10 0 BCAERO C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000085011711 488121510 /nfs/dbraw/zinc/12/15/10/488121510.db2.gz VANYUSSQEWOQAW-VWYCJHECSA-N 1 0 225.336 0.324 10 0 BCAERO COC[C@H](C)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000237232709 488124409 /nfs/dbraw/zinc/12/44/09/488124409.db2.gz BXVNTLSHCKWHKJ-VHSXEESVSA-N 1 0 214.309 0.527 10 0 BCAERO [NH3+]Cc1ccc(C(=O)N[C@@H]2CCC[C@H](O)C2)o1 ZINC000094565655 487540532 /nfs/dbraw/zinc/54/05/32/487540532.db2.gz UJCAAKSGZYHEEH-BDAKNGLRSA-N 1 0 238.287 0.772 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)N[C@H]2CCC[C@H]([NH3+])C2)O1 ZINC000382426161 487543134 /nfs/dbraw/zinc/54/31/34/487543134.db2.gz MSCWKSPTLFDPDU-VPOLOUISSA-N 1 0 226.320 0.940 10 0 BCAERO [NH3+]Cc1ccc(C(=O)NC[C@H]2CCC[C@@H]2O)o1 ZINC000094572912 487543994 /nfs/dbraw/zinc/54/39/94/487543994.db2.gz PKXVRTFCRPNESL-SCZZXKLOSA-N 1 0 238.287 0.629 10 0 BCAERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)NCCn1ccnc1 ZINC000094647539 487547672 /nfs/dbraw/zinc/54/76/72/487547672.db2.gz SMXZYKNYXIGWIL-WDEREUQCSA-N 1 0 236.319 0.387 10 0 BCAERO CCn1ccc(NC(=O)[C@@]2(C)CCC[NH2+]2)n1 ZINC000300904358 487548028 /nfs/dbraw/zinc/54/80/28/487548028.db2.gz QRXZWVMBQTWELX-LLVKDONJSA-N 1 0 222.292 0.984 10 0 BCAERO CCC[C@H]([NH3+])C(=O)Nc1ccn(CC)n1 ZINC000300904454 487548053 /nfs/dbraw/zinc/54/80/53/487548053.db2.gz QUIXFVRWDPFZGT-QMMMGPOBSA-N 1 0 210.281 0.969 10 0 BCAERO COCCOCCNC(=O)[C@H]1CCC[NH2+][C@@H]1C ZINC000094647910 487548418 /nfs/dbraw/zinc/54/84/18/487548418.db2.gz JKJUGFSZWDCPKT-MNOVXSKESA-N 1 0 244.335 0.154 10 0 BCAERO CCn1ccc(NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)n1 ZINC000300908543 487549069 /nfs/dbraw/zinc/54/90/69/487549069.db2.gz RIOUVOBALUEEKQ-RKDXNWHRSA-N 1 0 222.292 0.969 10 0 BCAERO O=C(CC[NH2+]C1CC1)NC[C@H]1CCCC[C@@H]1O ZINC000085988217 487471162 /nfs/dbraw/zinc/47/11/62/487471162.db2.gz OSHWBDAGJQUBCM-PWSUYJOCSA-N 1 0 240.347 0.796 10 0 BCAERO C[NH2+]CCC(=O)N[C@H](C)c1ncc(C)o1 ZINC000231743802 487472178 /nfs/dbraw/zinc/47/21/78/487472178.db2.gz WBGDLDYLXMGWCZ-MRVPVSSYSA-N 1 0 211.265 0.770 10 0 BCAERO Cc1cnc([C@H](C)NC(=O)[C@H](C)C[NH3+])o1 ZINC000231742738 487472410 /nfs/dbraw/zinc/47/24/10/487472410.db2.gz QPNZHXUFDQUPQN-SVRRBLITSA-N 1 0 211.265 0.755 10 0 BCAERO C[NH2+][C@@H](C)C(=O)N[C@@H](C)c1ncc(C)o1 ZINC000231742839 487472669 /nfs/dbraw/zinc/47/26/69/487472669.db2.gz VRQBMRHSAJLSEE-YUMQZZPRSA-N 1 0 211.265 0.768 10 0 BCAERO C[C@@H](O)CC[NH2+]C[C@H](O)COc1ccccc1 ZINC000086014017 487472923 /nfs/dbraw/zinc/47/29/23/487472923.db2.gz WEULGQLUULXZTO-NEPJUHHUSA-N 1 0 239.315 0.787 10 0 BCAERO CCc1nn(C)cc1CN1CC[C@@H]([NH3+])[C@@H]1C ZINC000380541836 487478283 /nfs/dbraw/zinc/47/82/83/487478283.db2.gz HJTUWUGMOZLSDR-GXSJLCMTSA-N 1 0 222.336 0.904 10 0 BCAERO COC[C@H](C)[NH2+]Cc1ccc(OC)nn1 ZINC000308786877 487488259 /nfs/dbraw/zinc/48/82/59/487488259.db2.gz GRFIBISYJLVUPS-QMMMGPOBSA-N 1 0 211.265 0.610 10 0 BCAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)NCc1ccno1 ZINC000231892235 487488270 /nfs/dbraw/zinc/48/82/70/487488270.db2.gz OBBXRIWSDMYNHR-VXNVDRBHSA-N 1 0 211.265 0.664 10 0 BCAERO CN(C)[C@H]1CC[N@H+](CCC(C)(C)O)C1 ZINC000086234268 487491576 /nfs/dbraw/zinc/49/15/76/487491576.db2.gz DMWYLJOQVQOGND-JTQLQIEISA-N 1 0 200.326 0.783 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000232016797 487498047 /nfs/dbraw/zinc/49/80/47/487498047.db2.gz BLQYFUPVBSZQRZ-RGOKHQFPSA-N 1 0 212.293 0.550 10 0 BCAERO CC(C)[C@@H]([NH3+])CC(=O)Nc1cncnc1 ZINC000232089329 487511261 /nfs/dbraw/zinc/51/12/61/487511261.db2.gz XHTLPNOJFMCOKS-VIFPVBQESA-N 1 0 208.265 0.789 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)Nc1cncnc1 ZINC000232089331 487511329 /nfs/dbraw/zinc/51/13/29/487511329.db2.gz XHTLPNOJFMCOKS-SECBINFHSA-N 1 0 208.265 0.789 10 0 BCAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1cncnc1 ZINC000232089225 487511344 /nfs/dbraw/zinc/51/13/44/487511344.db2.gz JKAHOVOLFXBNLD-VXNVDRBHSA-N 1 0 208.265 0.789 10 0 BCAERO COc1cc(NC(=O)[C@@H]2CC[NH2+]C2)ccn1 ZINC000304593367 487510641 /nfs/dbraw/zinc/51/06/41/487510641.db2.gz PPRPUCBDBZWZSN-MRVPVSSYSA-N 1 0 221.260 0.638 10 0 BCAERO C[NH2+][C@H](C)C(=O)NCCc1nc(C)cs1 ZINC000063135059 487515340 /nfs/dbraw/zinc/51/53/40/487515340.db2.gz RZUGUSPALYZARB-MRVPVSSYSA-N 1 0 227.333 0.718 10 0 BCAERO COC[C@H](CN1CC[N@@H+]2CCCC[C@H]2C1)OC ZINC000300561940 487522296 /nfs/dbraw/zinc/52/22/96/487522296.db2.gz FFAJSLKZQUXFDD-STQMWFEESA-N 1 0 242.363 0.818 10 0 BCAERO OCC1CC([NH2+][C@@H]2CO[C@H](C3CC3)C2)C1 ZINC000668779587 487525160 /nfs/dbraw/zinc/52/51/60/487525160.db2.gz FDKVXFPKEGSJST-XLSSUDTFSA-N 1 0 211.305 0.914 10 0 BCAERO COCC[N@H+](CCO)C[C@@H]1CCC[C@H](O)C1 ZINC000390318214 488147721 /nfs/dbraw/zinc/14/77/21/488147721.db2.gz HSWXJBNASQIDDE-NEPJUHHUSA-N 1 0 231.336 0.478 10 0 BCAERO CN1CCC[C@H]1C[N@@H+]1CCC[C@H](CO)C1 ZINC000379809277 488151867 /nfs/dbraw/zinc/15/18/67/488151867.db2.gz YYEIJQPLQNHPRL-RYUDHWBXSA-N 1 0 212.337 0.785 10 0 BCAERO CCn1cc(CN[C@@H]2CCC[NH2+]CC2)nn1 ZINC000404431728 488159996 /nfs/dbraw/zinc/15/99/96/488159996.db2.gz NJDBTIAFFGBCND-SNVBAGLBSA-N 1 0 223.324 0.530 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@H]1CCS[C@H]1C ZINC000378900174 488109837 /nfs/dbraw/zinc/10/98/37/488109837.db2.gz GQNPYMFSNULPOV-RGOKHQFPSA-N 1 0 228.361 0.852 10 0 BCAERO O=C(NC[C@H]1CCCO1)NC1CC[NH2+]CC1 ZINC000258781426 488133694 /nfs/dbraw/zinc/13/36/94/488133694.db2.gz XFFRZFWOSAOZED-SNVBAGLBSA-N 1 0 227.308 0.217 10 0 BCAERO COCC[N@H+](CCO)C[C@H]1CCC[C@H](O)C1 ZINC000390318216 488147965 /nfs/dbraw/zinc/14/79/65/488147965.db2.gz HSWXJBNASQIDDE-RYUDHWBXSA-N 1 0 231.336 0.478 10 0 BCAERO CCn1cc(CNC(=O)[C@H]2CC[C@H]([NH3+])C2)nn1 ZINC000404494876 488165995 /nfs/dbraw/zinc/16/59/95/488165995.db2.gz OVUOFXQKDYFQFM-IUCAKERBSA-N 1 0 237.307 0.042 10 0 BCAERO O=C([C@H]1CCC[NH2+]C1)N1CCCc2n[nH]cc2C1 ZINC000404628155 488172675 /nfs/dbraw/zinc/17/26/75/488172675.db2.gz SZNRBCPWGVVTFY-JTQLQIEISA-N 1 0 248.330 0.684 10 0 BCAERO CC(C)[N@H+](C)C[C@H](O)CN1CC[C@H](CCO)C1 ZINC000380102714 488173348 /nfs/dbraw/zinc/17/33/48/488173348.db2.gz XRGMTBHBUPABSA-OLZOCXBDSA-N 1 0 244.379 0.392 10 0 BCAERO CC(C)[N@H+](C)C[C@@H](O)CN1CC[C@H](CCO)C1 ZINC000380102708 488173739 /nfs/dbraw/zinc/17/37/39/488173739.db2.gz XRGMTBHBUPABSA-CHWSQXEVSA-N 1 0 244.379 0.392 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)N1CCCc2n[nH]cc2C1 ZINC000404728171 488176254 /nfs/dbraw/zinc/17/62/54/488176254.db2.gz PFIPRCVLNMUPFN-SNVBAGLBSA-N 1 0 236.319 0.812 10 0 BCAERO CC(C)(C)NC(=O)[C@H]1C[NH2+]CCOC1 ZINC000606274929 488178648 /nfs/dbraw/zinc/17/86/48/488178648.db2.gz YHGFKSXWXYVNJV-QMMMGPOBSA-N 1 0 200.282 0.137 10 0 BCAERO CO[C@@H](C)CNC(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000223751966 488179735 /nfs/dbraw/zinc/17/97/35/488179735.db2.gz HQBOPINPMCNZLZ-LPEHRKFASA-N 1 0 214.309 0.655 10 0 BCAERO CC[C@@H]([NH3+])C(=O)N1CCC[C@@H]1c1cnn(C)c1 ZINC000167628163 488181420 /nfs/dbraw/zinc/18/14/20/488181420.db2.gz DUSZQFFKSPHAPE-GHMZBOCLSA-N 1 0 236.319 0.821 10 0 BCAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)CCc1ccccn1 ZINC000335801871 488184149 /nfs/dbraw/zinc/18/41/49/488184149.db2.gz HBDGUVLDXTWZGB-ZYHUDNBSSA-N 1 0 233.315 0.962 10 0 BCAERO C[NH2+]C[C@H](C)NC(=O)[C@@H]1CC[C@H](C)O1 ZINC000389240002 488205850 /nfs/dbraw/zinc/20/58/50/488205850.db2.gz XWZFTUFOCCLSIE-CIUDSAMLSA-N 1 0 200.282 0.278 10 0 BCAERO C[N@H+](CCCO)C[C@H]1CCC[C@@H](O)C1 ZINC000308564779 488207408 /nfs/dbraw/zinc/20/74/08/488207408.db2.gz HDGWJCAJEFZVFH-WDEREUQCSA-N 1 0 201.310 0.852 10 0 BCAERO COC[C@@H](C)[NH2+]C[C@H](C)CS(C)(=O)=O ZINC000308594472 488211640 /nfs/dbraw/zinc/21/16/40/488211640.db2.gz LWUVZHSKHHRHJD-DTWKUNHWSA-N 1 0 223.338 0.292 10 0 BCAERO c1n[nH]cc1C[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000678184972 488214840 /nfs/dbraw/zinc/21/48/40/488214840.db2.gz YPKAXLDDVVZNHU-GFCCVEGCSA-N 1 0 236.319 0.316 10 0 BCAERO CC[N@H+](C)C[C@H](O)CN1C[C@H](O)CC[C@H]1C ZINC000399220373 488227916 /nfs/dbraw/zinc/22/79/16/488227916.db2.gz ITEBPYMQMPMSNV-UTUOFQBUSA-N 1 0 230.352 0.144 10 0 BCAERO CNC(=O)CCC[N@@H+]1C[C@H](O)CC[C@H]1C ZINC000399156264 488228100 /nfs/dbraw/zinc/22/81/00/488228100.db2.gz IKTMGCCZSMAMGH-NXEZZACHSA-N 1 0 214.309 0.358 10 0 BCAERO COC[C@H](C)NC(=O)[C@@H]1CCCC[NH2+]1 ZINC000019412330 488229005 /nfs/dbraw/zinc/22/90/05/488229005.db2.gz AOQOABOSYIPPLP-IUCAKERBSA-N 1 0 200.282 0.280 10 0 BCAERO CC(C)[NH2+]CC(=O)NC[C@@H](O)C(C)(C)C ZINC000324332508 490057432 /nfs/dbraw/zinc/05/74/32/490057432.db2.gz KOJAIPMSRDXVJD-SECBINFHSA-N 1 0 216.325 0.508 10 0 BCAERO C[C@@H]1C[C@H](NC(=O)[C@@H]2CCC[NH2+][C@H]2C)CO1 ZINC000402071190 490146825 /nfs/dbraw/zinc/14/68/25/490146825.db2.gz ZOVUVPLLTSHXKA-VPOLOUISSA-N 1 0 226.320 0.668 10 0 BCAERO Cc1nccc(NC[C@@H]2COCC[NH2+]2)n1 ZINC000235972451 490185183 /nfs/dbraw/zinc/18/51/83/490185183.db2.gz QMXOEKWWJMPKQW-SECBINFHSA-N 1 0 208.265 0.185 10 0 BCAERO CS(=O)(=O)c1ccc(N[C@@H]2CC[NH2+]C2)cc1 ZINC000052093820 490202783 /nfs/dbraw/zinc/20/27/83/490202783.db2.gz CUQJXJUWDDECAS-SNVBAGLBSA-N 1 0 240.328 0.864 10 0 BCAERO C[C@@H]1CC[C@@H](O)C[N@@H+]1C[C@@H]1CCCN1C ZINC000399327737 491061504 /nfs/dbraw/zinc/06/15/04/491061504.db2.gz MRKVPKSLVJWMOK-GRYCIOLGSA-N 1 0 212.337 0.926 10 0 BCAERO CCCCOC[C@@H](O)C[NH2+][C@@H](C)COC ZINC000227886924 491066773 /nfs/dbraw/zinc/06/67/73/491066773.db2.gz YMWWKPOPYBLHIB-QWRGUYRKSA-N 1 0 219.325 0.789 10 0 BCAERO C[C@H]1CC[C@H](O)C[N@@H+]1CCc1ccnn1C ZINC000399235785 491123389 /nfs/dbraw/zinc/12/33/89/491123389.db2.gz GQVJBIAKNJAFNL-JQWIXIFHSA-N 1 0 223.320 0.808 10 0 BCAERO CCOCC[NH2+][C@H]1CCN(C(C)=O)C[C@@H]1C ZINC000309414967 491148962 /nfs/dbraw/zinc/14/89/62/491148962.db2.gz CLIRWPSEERLZNC-JQWIXIFHSA-N 1 0 228.336 0.869 10 0 BCAERO C[C@H]([NH2+][C@H]1CCC(=O)N[C@@H]1C)c1ncc[nH]1 ZINC000309423145 491149098 /nfs/dbraw/zinc/14/90/98/491149098.db2.gz KAIXZPSJHRRNCP-VGMNWLOBSA-N 1 0 222.292 0.727 10 0 BCAERO OCCN1CCC[C@@H]([NH2+]C[C@H]2CCSC2)C1 ZINC000309630249 491153229 /nfs/dbraw/zinc/15/32/29/491153229.db2.gz KCZSQRRHIBHLNY-VXGBXAGGSA-N 1 0 244.404 0.786 10 0 BCAERO CCN1CCO[C@H](C[NH2+]Cc2cn(C)cn2)C1 ZINC000310488096 491161718 /nfs/dbraw/zinc/16/17/18/491161718.db2.gz GMOUJXKVKQULDF-GFCCVEGCSA-N 1 0 238.335 0.230 10 0 BCAERO [NH3+]C[C@H]1COCC2(CCSCC2)O1 ZINC000757138326 582517005 /nfs/dbraw/zinc/51/70/05/582517005.db2.gz SUIDUCAAGGKILK-QMMMGPOBSA-N 1 0 203.307 0.626 10 0 BCAERO CC[C@@H]1[NH2+]C[C@@]2(COCCN2C)CO1 ZINC000757138824 582518617 /nfs/dbraw/zinc/51/86/17/582518617.db2.gz DVAKLWQRFIZMDY-NXEZZACHSA-N 1 0 200.282 0.043 10 0 BCAERO C1CSC[C@]2(C1)[NH2+]C[C@]1(COCCN1)CO2 ZINC000757138655 582518741 /nfs/dbraw/zinc/51/87/41/582518741.db2.gz DCPWIUNLOKGWTN-WDEREUQCSA-N 1 0 244.360 0.188 10 0 BCAERO CCCc1cc(N2CC[C@@H]2C[NH3+])ncn1 ZINC000757140467 582520688 /nfs/dbraw/zinc/52/06/88/582520688.db2.gz DZEWBBLZCILQDO-SNVBAGLBSA-N 1 0 206.293 0.967 10 0 BCAERO NC(=O)[C@H]1CCN1CC[C@@H]1CCCC[NH2+]1 ZINC000757144322 582524993 /nfs/dbraw/zinc/52/49/93/582524993.db2.gz IYWJPIZTKQAMRN-VHSXEESVSA-N 1 0 211.309 0.078 10 0 BCAERO CN1CCOC[C@@]12C[NH2+][C@]1(CCSC1)OC2 ZINC000757144298 582525060 /nfs/dbraw/zinc/52/50/60/582525060.db2.gz NQHNILOGKOCRTR-GHMZBOCLSA-N 1 0 244.360 0.140 10 0 BCAERO Cc1cc[nH+]c(N2CC[C@H]2C(N)=O)c1N ZINC000757145210 582526874 /nfs/dbraw/zinc/52/68/74/582526874.db2.gz KXRIQIPPIWXMBW-ZETCQYMHSA-N 1 0 206.249 0.036 10 0 BCAERO [NH3+]C[C@@H]1CCN1CCOC[C@@H]1CCCO1 ZINC000757146487 582530290 /nfs/dbraw/zinc/53/02/90/582530290.db2.gz NWPLFPJVGHYJGE-QWRGUYRKSA-N 1 0 214.309 0.215 10 0 BCAERO COC[C@@H]1CCO[C@]2(CN3CCC2CC3)[NH2+]1 ZINC000757148717 582531848 /nfs/dbraw/zinc/53/18/48/582531848.db2.gz OAMLLYNYDVKLNU-RYUDHWBXSA-N 1 0 226.320 0.433 10 0 BCAERO C1CC2(CC[NH2+]1)NCC1(CCOCC1)CO2 ZINC000757148384 582533028 /nfs/dbraw/zinc/53/30/28/582533028.db2.gz UTBJZWNIYKLISU-UHFFFAOYSA-N 1 0 226.320 0.483 10 0 BCAERO CC(C)C[C@@H]([NH3+])CS(=O)(=O)N(C)C ZINC000757151346 582535805 /nfs/dbraw/zinc/53/58/05/582535805.db2.gz GHPXFKAHAYPDRV-MRVPVSSYSA-N 1 0 208.327 0.251 10 0 BCAERO CCOc1cncc(N2CC[C@@H]2C[NH3+])n1 ZINC000757153126 582536680 /nfs/dbraw/zinc/53/66/80/582536680.db2.gz SRULOGSNFXYKBF-MRVPVSSYSA-N 1 0 208.265 0.413 10 0 BCAERO COC[C@H]1CCO[C@@]2(CCN(C)C2)[NH2+]1 ZINC000757153004 582537273 /nfs/dbraw/zinc/53/72/73/582537273.db2.gz VLXZLCLAWYRNEB-NXEZZACHSA-N 1 0 200.282 0.043 10 0 BCAERO CC(C)[C@H](C[N@@H+]1CC[C@@H]1C(N)=O)C(N)=S ZINC000757157107 582541348 /nfs/dbraw/zinc/54/13/48/582541348.db2.gz MPUQYGOKZCDWHV-JGVFFNPUSA-N 1 0 229.349 0.104 10 0 BCAERO Cc1nc2n(n1)[C@H]([C@H]1CCC[NH2+]C1)CCN2 ZINC000236035125 582637003 /nfs/dbraw/zinc/63/70/03/582637003.db2.gz DTOCHYQCJZSAHQ-UWVGGRQHSA-N 1 0 221.308 0.943 10 0 BCAERO C[C@H](NC[C@H]1CN(C)CCO1)[C@H]1CCC[NH2+]1 ZINC000400434911 533910378 /nfs/dbraw/zinc/91/03/78/533910378.db2.gz LAXBCZKIEAMENT-SDDRHHMPSA-N 1 0 227.352 0.047 10 0 BCAERO [NH3+]Cc1ccnc2nc(C3CCC3)nn21 ZINC000236212118 582641636 /nfs/dbraw/zinc/64/16/36/582641636.db2.gz RBGKCTDDCADDTD-UHFFFAOYSA-N 1 0 203.249 0.851 10 0 BCAERO [NH3+]C[C@@H]1CCNc2c3c(nn21)NCCC3 ZINC000236225317 582641837 /nfs/dbraw/zinc/64/18/37/582641837.db2.gz TXSUKXZKFBXVJA-ZETCQYMHSA-N 1 0 207.281 0.557 10 0 BCAERO CCO[C@@H]1C[C@H]1C(=O)NCC[C@@H](C)[NH3+] ZINC000178700260 535528730 /nfs/dbraw/zinc/52/87/30/535528730.db2.gz BEZYVTSJWXBOPF-IWSPIJDZSA-N 1 0 200.282 0.265 10 0 BCAERO CC[C@@]1(C)CCN(C(=O)[C@H]([NH3+])COC)C1 ZINC000261533471 536045988 /nfs/dbraw/zinc/04/59/88/536045988.db2.gz BBUKVMHBLBKARF-KOLCDFICSA-N 1 0 214.309 0.609 10 0 BCAERO Cn1ccnc1CNC(=O)[C@H]1CCC[NH2+]C1 ZINC000070854850 518195305 /nfs/dbraw/zinc/19/53/05/518195305.db2.gz ZCKOUAJGNFDPDI-VIFPVBQESA-N 1 0 222.292 0.036 10 0 BCAERO O=C1C[C@H]([NH2+]CC2CCCCC2)C(=O)N1 ZINC000102669738 518202427 /nfs/dbraw/zinc/20/24/27/518202427.db2.gz GOGBNEAHLSAOCL-VIFPVBQESA-N 1 0 210.277 0.571 10 0 BCAERO CC(C)(O)c1cn([C@H]2CCCC[C@@H]2[NH3+])nn1 ZINC000238852850 519373397 /nfs/dbraw/zinc/37/33/97/519373397.db2.gz HKBLQTVOWXHXQK-IUCAKERBSA-N 1 0 224.308 0.948 10 0 BCAERO CC[NH2+][C@](C)(Cn1ccnc1C)C(N)=O ZINC000045432991 582814792 /nfs/dbraw/zinc/81/47/92/582814792.db2.gz PMODENBLQGCYFC-SNVBAGLBSA-N 1 0 210.281 0.045 10 0 BCAERO CC(C)(C)CCC(=O)NC[C@H]1C[NH2+]C[C@H]1O ZINC000262062608 534577632 /nfs/dbraw/zinc/57/76/32/534577632.db2.gz AZHXRHLPPOJDDE-NXEZZACHSA-N 1 0 228.336 0.509 10 0 BCAERO CC(=O)N[C@H]1CCCN(C[C@]2(C)CC[NH2+]C2)C1 ZINC000261751283 534662022 /nfs/dbraw/zinc/66/20/22/534662022.db2.gz JVAAAVQUASTHNP-QWHCGFSZSA-N 1 0 239.363 0.587 10 0 BCAERO CC(=O)N[C@H]1CCC[N@H+](C[C@@H]2CCCO2)C1 ZINC000079885528 534662044 /nfs/dbraw/zinc/66/20/44/534662044.db2.gz BXWCEGUBLVVOHP-RYUDHWBXSA-N 1 0 226.320 0.766 10 0 BCAERO CC(=O)N[C@H]1CCCN(CC(C)(C)[NH3+])C1 ZINC000261576348 534663016 /nfs/dbraw/zinc/66/30/16/534663016.db2.gz KHPWQWQTCYJJSB-JTQLQIEISA-N 1 0 213.325 0.324 10 0 BCAERO CCn1ncc(N2CC[C@H]([NH3+])C2)c(Cl)c1=O ZINC000164049001 523691966 /nfs/dbraw/zinc/69/19/66/523691966.db2.gz CTGJLHTUWBJWCG-ZETCQYMHSA-N 1 0 242.710 0.454 10 0 BCAERO CC[C@@](O)(C[NH3+])[C@H](C)NC(=O)OC(C)(C)C ZINC000072207855 523689944 /nfs/dbraw/zinc/68/99/44/523689944.db2.gz RMWMJUQWSNGPGZ-GZMMTYOYSA-N 1 0 232.324 0.999 10 0 BCAERO COC(=O)[C@@](C)([NH3+])CCn1cc(Cl)cn1 ZINC000045436973 582880124 /nfs/dbraw/zinc/88/01/24/582880124.db2.gz XGUPBKJHOVSBBX-VIFPVBQESA-N 1 0 231.683 0.817 10 0 BCAERO CCOC(=O)c1noc([C@@H]2CC[N@H+](C)C2)n1 ZINC000260960272 582886945 /nfs/dbraw/zinc/88/69/45/582886945.db2.gz WGSNQHSFYIBXJD-SSDOTTSWSA-N 1 0 225.248 0.665 10 0 BCAERO C[NH2+][C@H]1CCCN(c2nccc(OC)n2)C1 ZINC000053204933 536415380 /nfs/dbraw/zinc/41/53/80/536415380.db2.gz DSBGYLHQKGBAHG-VIFPVBQESA-N 1 0 222.292 0.673 10 0 BCAERO C[C@@H]1CC(C(=O)[O-])([NH+](C)C)C[C@@H](C)[NH+]1C ZINC000057354477 526219876 /nfs/dbraw/zinc/21/98/76/526219876.db2.gz JZSPWNWCWXCISM-RKDXNWHRSA-N 1 0 214.309 0.874 10 0 BCAERO CC1(C)C[C@H]1CNC(=O)[C@H]([NH3+])C1CCOCC1 ZINC000261743125 534916292 /nfs/dbraw/zinc/91/62/92/534916292.db2.gz KPIQCQATNFSJSP-WDEREUQCSA-N 1 0 240.347 0.903 10 0 BCAERO Cc1cc(C(=O)NCCCCC[NH3+])n(C)n1 ZINC000085165537 526266334 /nfs/dbraw/zinc/26/63/34/526266334.db2.gz RJPZLOMIPLSBIP-UHFFFAOYSA-N 1 0 224.308 0.587 10 0 BCAERO Cc1cc(C(=O)NCCCCC[NH3+])nn1C ZINC000300900785 526266546 /nfs/dbraw/zinc/26/65/46/526266546.db2.gz NPUMGTIGEWXXBK-UHFFFAOYSA-N 1 0 224.308 0.587 10 0 BCAERO C[NH2+]CC(=O)NC[C@H]1CCO[C@@H]1C(C)C ZINC000261550895 536441354 /nfs/dbraw/zinc/44/13/54/536441354.db2.gz PXCBNYNSUIQCHO-MWLCHTKSSA-N 1 0 214.309 0.383 10 0 BCAERO Cc1nc(CN2C[C@@H](F)C[C@H]2C[NH3+])no1 ZINC000238852871 526873158 /nfs/dbraw/zinc/87/31/58/526873158.db2.gz HNEACYOWCCVBOW-YUMQZZPRSA-N 1 0 214.244 0.249 10 0 BCAERO COCCOCC[N@H+](C)CC1CC(O)C1 ZINC000084453752 536494345 /nfs/dbraw/zinc/49/43/45/536494345.db2.gz WPYAIILXHGFNGG-UHFFFAOYSA-N 1 0 217.309 0.352 10 0 BCAERO O=c1[nH]c2c(c(=O)[nH]1)C[N@H+](C1CCCCC1)CC2 ZINC000229006868 527441374 /nfs/dbraw/zinc/44/13/74/527441374.db2.gz BFEDNCNDHOTDNL-UHFFFAOYSA-N 1 0 249.314 0.754 10 0 BCAERO COC[C@@H](C)N(C)C(=O)C[C@H]1CC[NH2+]C1 ZINC000084382372 536516693 /nfs/dbraw/zinc/51/66/93/536516693.db2.gz QUUNXSZMEIKFSK-NXEZZACHSA-N 1 0 214.309 0.479 10 0 BCAERO CCN(CC)C(=O)[C@H](C)[N@@H+]1C[C@@H](C)C[C@H](O)C1 ZINC000401636840 528058702 /nfs/dbraw/zinc/05/87/02/528058702.db2.gz CIELGCOPVZQYMU-SRVKXCTJSA-N 1 0 242.363 0.946 10 0 BCAERO CCCNC(=O)C[N@@H+]1C[C@H](C)C[C@H](O)C1 ZINC000401891339 528392509 /nfs/dbraw/zinc/39/25/09/528392509.db2.gz HKLVTUIZYQJMTF-ZJUUUORDSA-N 1 0 214.309 0.215 10 0 BCAERO CCC(C)(C)NC(=O)C[N@@H+]1C[C@@H](C)C[C@H](O)C1 ZINC000401659577 528549104 /nfs/dbraw/zinc/54/91/04/528549104.db2.gz OSPBXXNBRNUKCL-QWRGUYRKSA-N 1 0 242.363 0.994 10 0 BCAERO CCCCOC[C@H](O)C[N@@H+]1C[C@@H](C)C[C@H](O)C1 ZINC000401580852 528624645 /nfs/dbraw/zinc/62/46/45/528624645.db2.gz JXFVUYUYZXLUHX-RWMBFGLXSA-N 1 0 245.363 0.867 10 0 BCAERO CCOC(=O)COCC[N@@H+]1C[C@@H](C)C[C@H](O)C1 ZINC000401616566 528823661 /nfs/dbraw/zinc/82/36/61/528823661.db2.gz NZOAQFHGMRMCEW-QWRGUYRKSA-N 1 0 245.319 0.269 10 0 BCAERO CC(C)[C@H](C)NC(=O)C[N@@H+]1C[C@H](C)C[C@H](O)C1 ZINC000401640136 528964667 /nfs/dbraw/zinc/96/46/67/528964667.db2.gz DTXZNTBFHREYPK-WOPDTQHZSA-N 1 0 242.363 0.850 10 0 BCAERO CC1(C)C[N@H+](C[C@@H]2CNC(=O)O2)CC[C@@H]1O ZINC000303797085 529122291 /nfs/dbraw/zinc/12/22/91/529122291.db2.gz HFULKBUOZLKKIH-IUCAKERBSA-N 1 0 228.292 0.188 10 0 BCAERO CCCCCC[N@@H+]1C[C@@H](O)C[C@@H]1CO ZINC000179178308 534991152 /nfs/dbraw/zinc/99/11/52/534991152.db2.gz FURLCGLOKIIYNF-MNOVXSKESA-N 1 0 201.310 0.994 10 0 BCAERO CC(C)[C@H](NC(=O)CC[C@@H]1CCC[NH2+]1)C(N)=O ZINC000261554834 535078712 /nfs/dbraw/zinc/07/87/12/535078712.db2.gz PDBHUTWZYTYPPC-ONGXEEELSA-N 1 0 241.335 0.145 10 0 BCAERO CC(C)S(=O)(=O)CCN1CCC(C[NH3+])CC1 ZINC000217934825 535093032 /nfs/dbraw/zinc/09/30/32/535093032.db2.gz OLUODHLQQXMPKD-UHFFFAOYSA-N 1 0 248.392 0.480 10 0 BCAERO CC(C)[C@@H]([NH3+])C(=O)N1CC(=O)Nc2ccccc21 ZINC000020293641 535204533 /nfs/dbraw/zinc/20/45/33/535204533.db2.gz UJNHRYUDARBEAN-GFCCVEGCSA-N 1 0 247.298 0.955 10 0 BCAERO CCCCN(C)C(=O)[C@H]([NH3+])C1CCOCC1 ZINC000261788731 535209321 /nfs/dbraw/zinc/20/93/21/535209321.db2.gz NLOXCTBUJSFIEC-LLVKDONJSA-N 1 0 228.336 0.999 10 0 BCAERO CC(C)(O)CCN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000086829551 535286119 /nfs/dbraw/zinc/28/61/19/535286119.db2.gz BZRDSRODIDBGFP-LLVKDONJSA-N 1 0 212.337 0.927 10 0 BCAERO CC(C)[C@@H]1OCC[C@@H]1CNC(=O)CCC[NH3+] ZINC000262443721 535294673 /nfs/dbraw/zinc/29/46/73/535294673.db2.gz BSTFEWNRLIBQDG-PWSUYJOCSA-N 1 0 228.336 0.903 10 0 BCAERO CCOCCCNC(=O)[C@H]1CCC[NH2+][C@@H]1C ZINC000087121751 535545212 /nfs/dbraw/zinc/54/52/12/535545212.db2.gz OVLDGWSFWWBZLR-MNOVXSKESA-N 1 0 228.336 0.917 10 0 BCAERO CCOC(=O)[C@H](CC)N1C[C@H]([NH3+])[C@@H](C)C1 ZINC000261534200 535649268 /nfs/dbraw/zinc/64/92/68/535649268.db2.gz LVPCTZQZROGXNN-GUBZILKMSA-N 1 0 214.309 0.607 10 0 BCAERO CC[C@@H]1CCCN1C(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000087046500 535820302 /nfs/dbraw/zinc/82/03/02/535820302.db2.gz TZIMJJWVDTWVSQ-MXWKQRLJSA-N 1 0 226.320 0.894 10 0 BCAERO CC[C@](C)(O)C[N@@H+]1CCO[C@@H](COC)C1 ZINC000249334281 535846663 /nfs/dbraw/zinc/84/66/63/535846663.db2.gz HWQPAQZZIMDACA-MNOVXSKESA-N 1 0 217.309 0.495 10 0 BCAERO CCn1c(C)nnc1CN1CC[C@@](C)(C[NH3+])C1 ZINC000261759228 535974671 /nfs/dbraw/zinc/97/46/71/535974671.db2.gz QVZVSZYIFLMDDU-LBPRGKRZSA-N 1 0 237.351 0.777 10 0 BCAERO CCn1c(C)nnc1CN1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262006185 535974769 /nfs/dbraw/zinc/97/47/69/535974769.db2.gz RLFYQCNRMCAGGU-NEPJUHHUSA-N 1 0 249.362 0.933 10 0 BCAERO CC[C@H](OC)C(=O)NC[C@H]1CC[NH2+]C1 ZINC000261529013 536021522 /nfs/dbraw/zinc/02/15/22/536021522.db2.gz ZTTRLUOBGDOFFJ-IUCAKERBSA-N 1 0 200.282 0.137 10 0 BCAERO CCn1cc(CN2CC[C@@H]([NH3+])[C@@H]2C)cn1 ZINC000261529029 536056372 /nfs/dbraw/zinc/05/63/72/536056372.db2.gz ACQLPCFOVAATFE-GXSJLCMTSA-N 1 0 208.309 0.825 10 0 BCAERO CCn1cccc1C[NH2+][C@@H](C)CC(N)=O ZINC000220431904 536102684 /nfs/dbraw/zinc/10/26/84/536102684.db2.gz QMFMXNUMBBPZHQ-VIFPVBQESA-N 1 0 209.293 0.862 10 0 BCAERO CCc1nn(C)cc1CNC(=O)C[C@@H](C)[NH3+] ZINC000167880642 536186993 /nfs/dbraw/zinc/18/69/93/536186993.db2.gz YBUGMLWUYGWUKA-MRVPVSSYSA-N 1 0 224.308 0.336 10 0 BCAERO CCC(CC)NC(=O)Cn1cc[nH+]c1N ZINC000702467250 582926797 /nfs/dbraw/zinc/92/67/97/582926797.db2.gz SWPSXRRANYWSML-UHFFFAOYSA-N 1 0 210.281 0.770 10 0 BCAERO C[NH2+][C@@H](C)CNS(=O)(=O)c1ccco1 ZINC000261534872 536344461 /nfs/dbraw/zinc/34/44/61/536344461.db2.gz NGXDHKLODGPWHN-ZETCQYMHSA-N 1 0 218.278 0.166 10 0 BCAERO C[NH2+][C@@H]1CCCN(CCS(=O)(=O)C(C)C)C1 ZINC000217934188 536362098 /nfs/dbraw/zinc/36/20/98/536362098.db2.gz FSJNULSZRGWGHA-LLVKDONJSA-N 1 0 248.392 0.493 10 0 BCAERO C[NH2+][C@@H]1CCCN([C@@H]2CCN(C3CC3)C2=O)C1 ZINC000261760312 536365001 /nfs/dbraw/zinc/36/50/01/536365001.db2.gz MXDKVBJVUCKDRR-ZYHUDNBSSA-N 1 0 237.347 0.434 10 0 BCAERO C[NH2+][C@@H]1CCCN(c2nc(C)ccc2C(N)=O)C1 ZINC000053204669 536366235 /nfs/dbraw/zinc/36/62/35/536366235.db2.gz DHBOXKAVUYBLOE-SNVBAGLBSA-N 1 0 248.330 0.677 10 0 BCAERO C[NH2+][C@H](C)CNC(=O)CC[C@H]1CCOC1 ZINC000261546356 536391425 /nfs/dbraw/zinc/39/14/25/536391425.db2.gz KWRKLKMEHUEYGN-ZJUUUORDSA-N 1 0 214.309 0.527 10 0 BCAERO C[NH2+][C@H](C)CNC(=O)CC1CCOCC1 ZINC000261547313 536390781 /nfs/dbraw/zinc/39/07/81/536390781.db2.gz MBSVEBNQXIHDHS-SECBINFHSA-N 1 0 214.309 0.527 10 0 BCAERO C[NH2+][C@H](C)CNC(=O)c1cccc2c[nH]nc21 ZINC000261653202 536401103 /nfs/dbraw/zinc/40/11/03/536401103.db2.gz FGINQKXWFWEMRW-MRVPVSSYSA-N 1 0 232.287 0.901 10 0 BCAERO C[NH2+][C@H](C)CNS(=O)(=O)c1cncc(F)c1 ZINC000261567780 536404118 /nfs/dbraw/zinc/40/41/18/536404118.db2.gz FCCSHZGYIUUHGN-SSDOTTSWSA-N 1 0 247.295 0.107 10 0 BCAERO C[NH2+][C@H]1CCCN(c2ncc(C)cn2)C1 ZINC000063049073 536415534 /nfs/dbraw/zinc/41/55/34/536415534.db2.gz KILCZQSGKWPCIH-JTQLQIEISA-N 1 0 206.293 0.973 10 0 BCAERO C[NH2+][C@H]1CCCN(c2ncnc3c2cnn3C)C1 ZINC000053204745 536415571 /nfs/dbraw/zinc/41/55/71/536415571.db2.gz PGGOKXZSKMOQBN-VIFPVBQESA-N 1 0 246.318 0.552 10 0 BCAERO COCCCNC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000085009741 536581677 /nfs/dbraw/zinc/58/16/77/536581677.db2.gz ZMCUFKWRQNOASV-RKDXNWHRSA-N 1 0 200.282 0.267 10 0 BCAERO COC[C@@H]([NH3+])C(=O)NCc1ccc(F)c(C)c1 ZINC000263279275 536663222 /nfs/dbraw/zinc/66/32/22/536663222.db2.gz ZMSQEZKIKHEUEX-LLVKDONJSA-N 1 0 240.278 0.724 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N[C@H](C)Cc1ccncc1 ZINC000262348992 536668237 /nfs/dbraw/zinc/66/82/37/536668237.db2.gz UFKQWFCAICJSRT-MWLCHTKSSA-N 1 0 237.303 0.103 10 0 BCAERO COC(=O)c1ccc(CN2C[C@H]([NH3+])[C@@H](C)C2)[nH]1 ZINC000262149939 536681887 /nfs/dbraw/zinc/68/18/87/536681887.db2.gz ZUXHIPACNLZUFV-WPRPVWTQSA-N 1 0 237.303 0.580 10 0 BCAERO COc1cc(C)nc(N2CC[C@@H]([NH3+])[C@H](C)C2)n1 ZINC000164210575 536699996 /nfs/dbraw/zinc/69/99/96/536699996.db2.gz NDVKJIXVQJJENX-PSASIEDQSA-N 1 0 236.319 0.967 10 0 BCAERO COc1cc(C)nc(N2C[C@@H](C[NH3+])C[C@H]2C)n1 ZINC000252789269 536701624 /nfs/dbraw/zinc/70/16/24/536701624.db2.gz XQRJXAZEYIXMLA-NXEZZACHSA-N 1 0 236.319 0.967 10 0 BCAERO COc1cc(C)nc(N2C[C@@H](C)[C@H]([NH3+])C2)n1 ZINC000261535419 536702044 /nfs/dbraw/zinc/70/20/44/536702044.db2.gz YMFJFOPPYOLDTI-VXNVDRBHSA-N 1 0 222.292 0.577 10 0 BCAERO CO[C@@H]1CN(C(=O)[C@@H]2CC[C@H]([NH3+])C2)CC[C@H]1C ZINC000261544708 536723514 /nfs/dbraw/zinc/72/35/14/536723514.db2.gz ZDQXZTZSYBMWDJ-WISYIIOYSA-N 1 0 240.347 0.997 10 0 BCAERO COCCN(C)C(=O)[C@H]1CCC[NH2+][C@H]1C ZINC000087122601 536770157 /nfs/dbraw/zinc/77/01/57/536770157.db2.gz RMIZZOCBKLQMNJ-UWVGGRQHSA-N 1 0 214.309 0.479 10 0 BCAERO COC[C@H](C)C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000170893875 536828784 /nfs/dbraw/zinc/82/87/84/536828784.db2.gz SSLFPBDYJZKGBB-VHSXEESVSA-N 1 0 214.309 0.479 10 0 BCAERO COc1cc(N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)ncn1 ZINC000261563681 536832084 /nfs/dbraw/zinc/83/20/84/536832084.db2.gz XDAKGXNXPYJMDP-LPEHRKFASA-N 1 0 234.303 0.659 10 0 BCAERO COC[C@@H](C)CC(=O)N(C)C1C[NH2+]C1 ZINC000087437564 536867246 /nfs/dbraw/zinc/86/72/46/536867246.db2.gz DLBVRSWDKHRCKZ-QMMMGPOBSA-N 1 0 200.282 0.089 10 0 BCAERO COCCCC(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000087420353 536870419 /nfs/dbraw/zinc/87/04/19/536870419.db2.gz HDDNBISFIOSNRI-ZJUUUORDSA-N 1 0 214.309 0.657 10 0 BCAERO COCCNC(=O)CC[C@H]1CCC[NH2+]1 ZINC000261529773 536886720 /nfs/dbraw/zinc/88/67/20/536886720.db2.gz VISCDOJXCQEUOZ-SECBINFHSA-N 1 0 200.282 0.281 10 0 BCAERO O=S1(=O)CC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000075128373 537926738 /nfs/dbraw/zinc/92/67/38/537926738.db2.gz BEANQXRJUIUMKN-RKDXNWHRSA-N 1 0 203.307 0.421 10 0 BCAERO COCCC(=O)NC[C@H]1CCCC[NH2+]C1 ZINC000308792790 537973045 /nfs/dbraw/zinc/97/30/45/537973045.db2.gz BLQDPLRTLCFZMB-JTQLQIEISA-N 1 0 214.309 0.529 10 0 BCAERO Cn1nccc1-c1c(C[NH3+])nnn1[C@@H]1CCOC1 ZINC000725257670 538065441 /nfs/dbraw/zinc/06/54/41/538065441.db2.gz UGYZBMGCGNEAPR-MRVPVSSYSA-N 1 0 248.290 0.099 10 0 BCAERO C[C@@H](C[NH3+])c1nc(-c2ccnn2C)cc(=O)[nH]1 ZINC000725257251 538066187 /nfs/dbraw/zinc/06/61/87/538066187.db2.gz MGHDDOIXECKOAK-ZETCQYMHSA-N 1 0 233.275 0.645 10 0 BCAERO COCCN(CC[NH3+])C(=O)C1CCC1 ZINC000124266201 538101542 /nfs/dbraw/zinc/10/15/42/538101542.db2.gz ZACAREXYJZEUEA-UHFFFAOYSA-N 1 0 200.282 0.220 10 0 BCAERO CN(C)[S@@](C)(=O)=NC[C@H]1CCC[NH2+]C1 ZINC000725259443 566305854 /nfs/dbraw/zinc/30/58/54/566305854.db2.gz XWBXPBYRUCMEKD-XPTSAGLGSA-N 1 0 219.354 0.560 10 0 BCAERO CC1([C@H]2CCNc3nc(CC[NH3+])nn32)CC1 ZINC000232821348 566370861 /nfs/dbraw/zinc/37/08/61/566370861.db2.gz YXPBQKIFIFWLDB-MRVPVSSYSA-N 1 0 221.308 0.936 10 0 BCAERO O[C@H]1C[NH2+]C[C@H]1N1Cc2ccccc2C1 ZINC000082524488 566410342 /nfs/dbraw/zinc/41/03/42/566410342.db2.gz VNRVQEVSAYNFHD-NEPJUHHUSA-N 1 0 204.273 0.335 10 0 BCAERO CC(C)[C@@H](C)NC(=O)N1C[C@@H]2[C@@H](C[NH3+])[C@@H]2C1 ZINC000675054196 566416629 /nfs/dbraw/zinc/41/66/29/566416629.db2.gz OIIBEGWMTCEYKX-DBIOUOCHSA-N 1 0 225.336 0.877 10 0 BCAERO CC(C)Cn1ncc2c1nc[nH+]c2NN ZINC000669377248 566423997 /nfs/dbraw/zinc/42/39/97/566423997.db2.gz LBYDTBQTHYHKEH-UHFFFAOYSA-N 1 0 206.253 0.768 10 0 BCAERO CCO[C@@H]1CC[C@@H]2[NH2+]CCN(C(C)C)[C@@H]2N1 ZINC000669380683 566424514 /nfs/dbraw/zinc/42/45/14/566424514.db2.gz SWOPHNIPUCXXJQ-TUAOUCFPSA-N 1 0 227.352 0.741 10 0 BCAERO CC[C@H](C)[NH2+]C[C@H](O)C[C@]1(O)CCOC1 ZINC000669381294 566425231 /nfs/dbraw/zinc/42/52/31/566425231.db2.gz FFVBKSQWCJGHNH-HBNTYKKESA-N 1 0 217.309 0.277 10 0 BCAERO CC(C)[C@H](C)[N@@H+]1CCN2C[C@H](O)C[C@H]2C1 ZINC000405320694 566455463 /nfs/dbraw/zinc/45/54/63/566455463.db2.gz RFXZKZNAOPSJSE-SDDRHHMPSA-N 1 0 212.337 0.782 10 0 BCAERO CC(C)(O)C[NH+]1CCC2(CC1)OCCO2 ZINC000113267090 588828650 /nfs/dbraw/zinc/82/86/50/588828650.db2.gz KTCBRYNJIDBCTP-UHFFFAOYSA-N 1 0 215.293 0.596 10 0 BCAERO CO[C@@H](C)[C@H](O)c1nc(C)c(C[NH3+])s1 ZINC000757123933 582498987 /nfs/dbraw/zinc/49/89/87/582498987.db2.gz BIVJRBWCPTVWJS-XPUUQOCRSA-N 1 0 216.306 0.979 10 0 BCAERO CC1=NC2=[NH+]CC[C@H]([C@@H]3CC[C@H](C)O3)N2N1 ZINC000334138137 582507730 /nfs/dbraw/zinc/50/77/30/582507730.db2.gz SQZNBHAVTDXHDI-SFGNSQDASA-N 1 0 222.292 0.921 10 0 BCAERO CN1CCOC[C@]12C[NH2+]C1(CCC1)OC2 ZINC000757138936 582518455 /nfs/dbraw/zinc/51/84/55/582518455.db2.gz FCPPPBHBOMBJPG-JTQLQIEISA-N 1 0 212.293 0.187 10 0 BCAERO CCC[C@H]1CCO[C@@]2(CCS(=O)(=O)C2)[NH2+]1 ZINC000757138997 582518464 /nfs/dbraw/zinc/51/84/64/582518464.db2.gz DXWQMQSUDCFDNA-VHSXEESVSA-N 1 0 233.333 0.680 10 0 BCAERO [NH3+]C[C@H]1CCN1C[C@H]1CCC(F)(F)CO1 ZINC000757141181 582521483 /nfs/dbraw/zinc/52/14/83/582521483.db2.gz CZHJDUYJOLFAKV-RKDXNWHRSA-N 1 0 220.263 0.834 10 0 BCAERO Cc1csc(=O)n1CCN1CC[C@@H]1C[NH3+] ZINC000757145253 582527106 /nfs/dbraw/zinc/52/71/06/582527106.db2.gz KZZVHQGTODIXSX-SECBINFHSA-N 1 0 227.333 0.251 10 0 BCAERO [NH3+]C[C@@H]1CCN1c1ncnc2[nH]ccc21 ZINC000757145873 582528576 /nfs/dbraw/zinc/52/85/76/582528576.db2.gz MLFGHOUYXYRLKN-ZETCQYMHSA-N 1 0 203.249 0.495 10 0 BCAERO CN1CC[C@]2(C1)[NH2+]CC[C@H](C(F)F)O2 ZINC000757146017 582529030 /nfs/dbraw/zinc/52/90/30/582529030.db2.gz PSCJLDXQEAAXGQ-APPZFPTMSA-N 1 0 206.236 0.662 10 0 BCAERO COc1cccc(CN2CC[C@@H]2C[NH3+])n1 ZINC000757146183 582529816 /nfs/dbraw/zinc/52/98/16/582529816.db2.gz PLEYMXZUJMADKZ-SNVBAGLBSA-N 1 0 207.277 0.623 10 0 BCAERO [NH3+]C[C@@H]1CCN1CCOC[C@H]1CCCO1 ZINC000757146488 582530215 /nfs/dbraw/zinc/53/02/15/582530215.db2.gz NWPLFPJVGHYJGE-WDEREUQCSA-N 1 0 214.309 0.215 10 0 BCAERO CCC(CC)[C@@H]([NH3+])CS(=O)(=O)N(C)C ZINC000757151602 582535406 /nfs/dbraw/zinc/53/54/06/582535406.db2.gz IKJCBCCSAJFWRM-VIFPVBQESA-N 1 0 222.354 0.641 10 0 BCAERO CCN(C)S(=O)(=O)C[C@H](N)c1ccccn1 ZINC000757151375 582536153 /nfs/dbraw/zinc/53/61/53/582536153.db2.gz GODFDESBVMINLT-VIFPVBQESA-N 1 0 243.332 0.363 10 0 BCAERO CC[NH+]1CCC2(CC1)NC1(COC1)CCO2 ZINC000757153553 582537458 /nfs/dbraw/zinc/53/74/58/582537458.db2.gz XLTXXJWUIFRWTA-UHFFFAOYSA-N 1 0 226.320 0.577 10 0 BCAERO C[NH2+][C@@H]1CCC[C@@H](N2CC[C@H]2C(N)=O)C1 ZINC000757159569 582540986 /nfs/dbraw/zinc/54/09/86/582540986.db2.gz QLNJFLFETLCMRE-BBBLOLIVSA-N 1 0 211.309 0.077 10 0 BCAERO COC(=O)[C@@H]1C[NH2+]C[C@H]1c1ccc(F)nc1 ZINC000757190243 582555961 /nfs/dbraw/zinc/55/59/61/582555961.db2.gz QFBCDZONYQCFPG-DTWKUNHWSA-N 1 0 224.235 0.697 10 0 BCAERO O=C([O-])[C@@H]1C[C@@H]([C@@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC000757216905 582562113 /nfs/dbraw/zinc/56/21/13/582562113.db2.gz QRVPIVHVBIBYRA-AEJSXWLSSA-N 1 0 212.293 0.439 10 0 BCAERO Nc1ccc2nn3c(c2c1)NCC[C@@H]3C[NH3+] ZINC000236187384 582640760 /nfs/dbraw/zinc/64/07/60/582640760.db2.gz TYIMTUPXRKYWDX-MRVPVSSYSA-N 1 0 217.276 0.934 10 0 BCAERO [NH3+]C[C@H]1CCNc2c(CCCO)cnn21 ZINC000236186464 582640774 /nfs/dbraw/zinc/64/07/74/582640774.db2.gz DWANDUIQOQEJGV-SECBINFHSA-N 1 0 210.281 0.123 10 0 BCAERO Cc1c(C[NH2+][C@@H](C)C(C)(C)O)cnn1C ZINC000229807544 582673684 /nfs/dbraw/zinc/67/36/84/582673684.db2.gz BSEBFETYBMTASI-VIFPVBQESA-N 1 0 211.309 0.978 10 0 BCAERO O=C(Nc1ccnn1C1C[NH2+]C1)c1ccco1 ZINC000725259194 582798486 /nfs/dbraw/zinc/79/84/86/582798486.db2.gz MHYZFACHOOQALZ-UHFFFAOYSA-N 1 0 232.243 0.873 10 0 BCAERO O=Cc1cnc2c(cnn2C2C[NH2+]C2)c1 ZINC000725259218 582798775 /nfs/dbraw/zinc/79/87/75/582798775.db2.gz POYVKSZZZCSRTO-UHFFFAOYSA-N 1 0 202.217 0.388 10 0 BCAERO CC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CCCC2)C1 ZINC000111690427 582818381 /nfs/dbraw/zinc/81/83/81/582818381.db2.gz AWBOQSRCQULNQD-GFCCVEGCSA-N 1 0 238.331 0.910 10 0 BCAERO C[N@@H+]1CCC[C@@H]1Cn1cccc(N)c1=O ZINC000386650061 582833257 /nfs/dbraw/zinc/83/32/57/582833257.db2.gz QDPHTFPUBNTZLM-SECBINFHSA-N 1 0 207.277 0.525 10 0 BCAERO CC(C)(C)OC(=O)CN1CCC[C@H](C[NH3+])C1 ZINC000044529950 582865056 /nfs/dbraw/zinc/86/50/56/582865056.db2.gz IINDOWVTNUZHSW-SNVBAGLBSA-N 1 0 228.336 0.999 10 0 BCAERO CCC[NH2+][C@](C)(Cn1ccnc1)C(N)=O ZINC000045432228 582878443 /nfs/dbraw/zinc/87/84/43/582878443.db2.gz FJNCUVJAYOIABU-SNVBAGLBSA-N 1 0 210.281 0.127 10 0 BCAERO CCC[NH2+][C@H](Cn1cc(Cl)cn1)C(N)=O ZINC000045436815 582880064 /nfs/dbraw/zinc/88/00/64/582880064.db2.gz MYLYLUBHFAFCSD-MRVPVSSYSA-N 1 0 230.699 0.390 10 0 BCAERO CO[C@H](C)C[NH2+][C@@H]1CCN(C(C)=O)C[C@H]1C ZINC000393798552 582926073 /nfs/dbraw/zinc/92/60/73/582926073.db2.gz QQIHSBJZBHGIPD-CKYFFXLPSA-N 1 0 228.336 0.868 10 0 BCAERO Nc1[nH+]ccn1C[C@@H]1CCCCS1(=O)=O ZINC000702620008 582926684 /nfs/dbraw/zinc/92/66/84/582926684.db2.gz LLGULHCEOFAWGB-QMMMGPOBSA-N 1 0 229.305 0.433 10 0 BCAERO CCc1cc(Cn2cc[nH+]c2N)n(C)n1 ZINC000702449986 582926740 /nfs/dbraw/zinc/92/67/40/582926740.db2.gz LWWTYUNLUJNYHM-UHFFFAOYSA-N 1 0 205.265 0.810 10 0 BCAERO CC[N@@H+]1CC[C@@H](NC(=O)N[C@@H]2CCOC2)C1 ZINC000390015608 583086114 /nfs/dbraw/zinc/08/61/14/583086114.db2.gz UQFIIRVOOLVVEI-NXEZZACHSA-N 1 0 227.308 0.169 10 0 BCAERO CC[N@@H+]1C[C@H](C)[C@H](NCc2ncnn2C)C1 ZINC000390459320 583109658 /nfs/dbraw/zinc/10/96/58/583109658.db2.gz FDMUEOWLQYSYSE-VHSXEESVSA-N 1 0 223.324 0.245 10 0 BCAERO C[NH2+][C@@H]1CCN(c2cc(C)nc(C)n2)C1 ZINC000114603433 588878473 /nfs/dbraw/zinc/87/84/73/588878473.db2.gz PIAUXYPUBAIZON-SNVBAGLBSA-N 1 0 206.293 0.892 10 0 BCAERO C[NH2+][C@H]1CCN(c2cc(C)nc(C)n2)C1 ZINC000114603435 588878597 /nfs/dbraw/zinc/87/85/97/588878597.db2.gz PIAUXYPUBAIZON-JTQLQIEISA-N 1 0 206.293 0.892 10 0 BCAERO COC[C@H]([NH2+]C1CCN(CCO)CC1)C(C)C ZINC000399148926 583171332 /nfs/dbraw/zinc/17/13/32/583171332.db2.gz YDGZTIRAFIWZPI-ZDUSSCGKSA-N 1 0 244.379 0.704 10 0 BCAERO CCOC[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000399835507 583212511 /nfs/dbraw/zinc/21/25/11/583212511.db2.gz IZMJNDJSCSTSRX-GHMZBOCLSA-N 1 0 209.293 0.760 10 0 BCAERO CC(C)(C)OC(=O)N1CC[C@H](O)C[C@@H]1C[NH3+] ZINC000141407191 583568715 /nfs/dbraw/zinc/56/87/15/583568715.db2.gz UWRWAOPMGWXBKY-BDAKNGLRSA-N 1 0 230.308 0.706 10 0 BCAERO COCCN(CC[NH3+])C(=O)NC(C)(C)C ZINC000124287792 583852759 /nfs/dbraw/zinc/85/27/59/583852759.db2.gz VITZJWONJFCWHJ-UHFFFAOYSA-N 1 0 217.313 0.402 10 0 BCAERO C[NH2+]C1(CNC(=O)NCC(C)C)CCOCC1 ZINC000675052844 583916061 /nfs/dbraw/zinc/91/60/61/583916061.db2.gz ATRVFQSVWKFUJO-UHFFFAOYSA-N 1 0 243.351 0.710 10 0 BCAERO Nc1[nH+]ccn1CC(=O)NCC(F)(F)F ZINC000702432066 584936662 /nfs/dbraw/zinc/93/66/62/584936662.db2.gz YEDSERPFPKYBNR-UHFFFAOYSA-N 1 0 222.170 0.144 10 0 BCAERO C[C@@H](C(=O)N1CCCC1)n1cc[nH+]c1N ZINC000702459261 584937175 /nfs/dbraw/zinc/93/71/75/584937175.db2.gz GQYBAWDRJYLLSL-QMMMGPOBSA-N 1 0 208.265 0.649 10 0 BCAERO CC(C)(C(=O)N1C[C@@H]2C[C@@H]2C1)N1CC[NH2+]CC1 ZINC000379558363 584944804 /nfs/dbraw/zinc/94/48/04/584944804.db2.gz LYYKIIFXZNBLFB-PHIMTYICSA-N 1 0 237.347 0.149 10 0 BCAERO O=C1CC[C@H](C[NH2+]Cc2ccc(O)c(F)c2)N1 ZINC000232422782 585030654 /nfs/dbraw/zinc/03/06/54/585030654.db2.gz VMWAAMAJFGSHRD-SECBINFHSA-N 1 0 238.262 0.900 10 0 BCAERO c1nc2nccc([C@@H]3CCC[NH2+]C3)n2n1 ZINC000232461443 585030964 /nfs/dbraw/zinc/03/09/64/585030964.db2.gz YJCMELXFVVVDNK-MRVPVSSYSA-N 1 0 203.249 0.591 10 0 BCAERO c1cncc([C@@H]2CCNC3=[NH+]CCN32)c1 ZINC000232462870 585031072 /nfs/dbraw/zinc/03/10/72/585031072.db2.gz DNOBTSDBRROAIM-JTQLQIEISA-N 1 0 202.261 0.788 10 0 BCAERO CO[C@@H](C)[C@@H](O)c1nc(CC[NH3+])cs1 ZINC000757127549 586426554 /nfs/dbraw/zinc/42/65/54/586426554.db2.gz JEUACHWHGLODTA-POYBYMJQSA-N 1 0 216.306 0.713 10 0 BCAERO COC[C@@H]1CCO[C@@]2(CCN(C)C2)[NH2+]1 ZINC000757153009 586429386 /nfs/dbraw/zinc/42/93/86/586429386.db2.gz VLXZLCLAWYRNEB-VHSXEESVSA-N 1 0 200.282 0.043 10 0 BCAERO CCCN(CCC)S(=O)(=O)C[C@@H](C)[NH3+] ZINC000757152396 586429405 /nfs/dbraw/zinc/42/94/05/586429405.db2.gz LLLMBDKCGXWZES-SECBINFHSA-N 1 0 222.354 0.785 10 0 BCAERO [NH3+]C[C@@H]1CCN1CCCO[C@H]1CCOC1 ZINC000757152130 586429473 /nfs/dbraw/zinc/42/94/73/586429473.db2.gz YVHILPJBOWYKML-QWRGUYRKSA-N 1 0 214.309 0.215 10 0 BCAERO CCCN(CC)S(=O)(=O)C[C@@H](C)[NH3+] ZINC000757154047 586429639 /nfs/dbraw/zinc/42/96/39/586429639.db2.gz UTPWDSCKFJRJMO-MRVPVSSYSA-N 1 0 208.327 0.395 10 0 BCAERO CC(C)(C)C[C@@H]([NH3+])CS(=O)(=O)N1CCC1 ZINC000757152095 586429646 /nfs/dbraw/zinc/42/96/46/586429646.db2.gz URXIVRFLXPTUKR-SECBINFHSA-N 1 0 234.365 0.785 10 0 BCAERO CCN(CC)S(=O)(=O)C[C@H]([NH3+])C1CC1 ZINC000757153298 586429723 /nfs/dbraw/zinc/42/97/23/586429723.db2.gz OIODKNYWIUEULX-VIFPVBQESA-N 1 0 220.338 0.395 10 0 BCAERO COC(=O)C1([C@@]2(O)CCC[NH2+]C2)CCOCC1 ZINC000757183555 586433886 /nfs/dbraw/zinc/43/38/86/586433886.db2.gz PLZRYOMJKTUCAM-GFCCVEGCSA-N 1 0 243.303 0.071 10 0 BCAERO CC(C)(C)OC(=O)[C@H]1C[NH2+]CC12COC2 ZINC000757185780 586434119 /nfs/dbraw/zinc/43/41/19/586434119.db2.gz SLNKGCSECOMVOO-MRVPVSSYSA-N 1 0 213.277 0.564 10 0 BCAERO O=C([O-])[C@H]1C[NH2+]C[C@]12C[NH+]1CCC2CC1 ZINC000757183670 586434202 /nfs/dbraw/zinc/43/42/02/586434202.db2.gz FDPLUTZGUBIKKF-MWLCHTKSSA-N 1 0 210.277 0.002 10 0 BCAERO COC(=O)CCc1nc(C2([NH3+])CCCC2)no1 ZINC000757184789 586434266 /nfs/dbraw/zinc/43/42/66/586434266.db2.gz ZRFDFJZVYPNKCW-UHFFFAOYSA-N 1 0 239.275 0.903 10 0 BCAERO C[N@@H+]1CCC[C@@]2(C[NH2+]C[C@H]2C(=O)[O-])CC1 ZINC000757187423 586434577 /nfs/dbraw/zinc/43/45/77/586434577.db2.gz ZQDYALFRWYFFMV-ONGXEEELSA-N 1 0 212.293 0.393 10 0 BCAERO COC(=O)[C@@H]1C[NH2+]C[C@@H]1c1ccncc1F ZINC000757187840 586435132 /nfs/dbraw/zinc/43/51/32/586435132.db2.gz IGVKXTMZLLIYBP-RKDXNWHRSA-N 1 0 224.235 0.697 10 0 BCAERO COC(=O)[C@H]1C[NH2+]C[C@H]1c1ccncc1F ZINC000757187837 586435164 /nfs/dbraw/zinc/43/51/64/586435164.db2.gz IGVKXTMZLLIYBP-IUCAKERBSA-N 1 0 224.235 0.697 10 0 BCAERO CC[C@@H](C)Cn1cnc(C[C@H]([NH3+])CO)c1 ZINC000757193259 586436326 /nfs/dbraw/zinc/43/63/26/586436326.db2.gz ZSDFTVCIYICNOQ-ZJUUUORDSA-N 1 0 211.309 0.791 10 0 BCAERO C[C@@H]1C[C@H](C(=O)[O-])C[C@H]([C@H]2CCC[NH2+]C2)[NH2+]1 ZINC000757210611 586438464 /nfs/dbraw/zinc/43/84/64/586438464.db2.gz GJLDPNJVRVVDFZ-VPOLOUISSA-N 1 0 226.320 0.827 10 0 BCAERO CCOC(=O)[C@H]1CCC[NH2+][C@H]1c1cnnn1C ZINC000757215610 586440575 /nfs/dbraw/zinc/44/05/75/586440575.db2.gz WGZIAULMRYBLHS-WCBMZHEXSA-N 1 0 238.291 0.419 10 0 BCAERO CC(C)[C@@H](C)n1nnc2c1nc[nH+]c2NN ZINC000757564306 586461354 /nfs/dbraw/zinc/46/13/54/586461354.db2.gz DCPRHSNLGNXSCI-ZCFIWIBFSA-N 1 0 221.268 0.724 10 0 BCAERO C[NH2+]CCCn1nnc2c1ncnc2Cl ZINC000757568998 586462068 /nfs/dbraw/zinc/46/20/68/586462068.db2.gz SOSVQWNVDNXDNO-UHFFFAOYSA-N 1 0 226.671 0.484 10 0 BCAERO NNc1[nH+]cnc2c1nnn2CCC1CCC1 ZINC000757568851 586462142 /nfs/dbraw/zinc/46/21/42/586462142.db2.gz ROIFCAXOSAFKKS-UHFFFAOYSA-N 1 0 233.279 0.697 10 0 BCAERO C1COC[C@H](c2n[nH]c3c2C[NH2+]CC3)C1 ZINC000107243899 588344377 /nfs/dbraw/zinc/34/43/77/588344377.db2.gz VFZKBDBOAIETJD-MRVPVSSYSA-N 1 0 207.277 0.949 10 0 BCAERO C[NH2+][C@@](C)(C[C@@H](C)n1nccc1C)C(N)=O ZINC000203549474 589246101 /nfs/dbraw/zinc/24/61/01/589246101.db2.gz KMZRIOCNCKEHSF-KOLCDFICSA-N 1 0 224.308 0.606 10 0 BCAERO Cc1c(Cl)cnn1[C@H](C)C[C@@](C)([NH3+])C(N)=O ZINC000203548612 589246108 /nfs/dbraw/zinc/24/61/08/589246108.db2.gz OWERSQVUIRHLOS-LHLIQPBNSA-N 1 0 244.726 0.999 10 0 BCAERO COC[C@@H](C)NC(=S)N1CC[C@H]([NH+](C)C)C1 ZINC000122385948 589585020 /nfs/dbraw/zinc/58/50/20/589585020.db2.gz VUVOCDHUCVAVII-ZJUUUORDSA-N 1 0 245.392 0.532 10 0 BCAERO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC1OCCO1 ZINC000123722025 589786176 /nfs/dbraw/zinc/78/61/76/589786176.db2.gz QXJZKESMSBFYDW-SNVBAGLBSA-N 1 0 242.319 0.302 10 0 BCAERO C[C@@H](NC(=O)C1([NH3+])CCOCC1)[C@@H]1CCCO1 ZINC000127748811 590769379 /nfs/dbraw/zinc/76/93/79/590769379.db2.gz NTGMJHCXTUIABZ-ZJUUUORDSA-N 1 0 242.319 0.178 10 0 BCAERO C[C@@H]1OCC[C@H]1NC(=O)[C@@H]([NH3+])c1ccccc1 ZINC000129486334 591312463 /nfs/dbraw/zinc/31/24/63/591312463.db2.gz SKWHLVDWJUOZHK-WCQGTBRESA-N 1 0 234.299 0.980 10 0 BCAERO C[NH+](C)[C@@H]1CCN(C(=O)C[C@@H]([NH3+])C2CC2)C1 ZINC000129875109 591415149 /nfs/dbraw/zinc/41/51/49/591415149.db2.gz DPLJNAZCGOWXPJ-GHMZBOCLSA-N 1 0 225.336 0.276 10 0 BCAERO O=C(n1ccnc1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000129866939 591415284 /nfs/dbraw/zinc/41/52/84/591415284.db2.gz UVTGXGROIFHBPJ-JTQLQIEISA-N 1 0 220.276 0.631 10 0 BCAERO CO[C@@]1(C[NH3+])CCN(C(=O)OC(C)(C)C)C1 ZINC000212730642 591426337 /nfs/dbraw/zinc/42/63/37/591426337.db2.gz GAWUMZPUYJGKMV-LLVKDONJSA-N 1 0 230.308 0.971 10 0 BCAERO CN(CC[NH+]1CCCC1)C(=O)n1ccnc1 ZINC000130005262 591428574 /nfs/dbraw/zinc/42/85/74/591428574.db2.gz YEAKKLUWGSCZCT-UHFFFAOYSA-N 1 0 222.292 0.879 10 0 BCAERO [NH3+]C1CC(CNC(=O)c2ccc(F)cn2)C1 ZINC000130222960 591448306 /nfs/dbraw/zinc/44/83/06/591448306.db2.gz YPFUVHTVSZBMCL-UHFFFAOYSA-N 1 0 223.251 0.688 10 0 BCAERO [NH3+]Cc1cc(C(=O)NC[C@@H]2CCC[C@H]2O)ccn1 ZINC000130367220 591461770 /nfs/dbraw/zinc/46/17/70/591461770.db2.gz VUZIBCXPIXSLDV-CMPLNLGQSA-N 1 0 249.314 0.431 10 0 BCAERO CO[C@H](C)CC(=O)N1CCCC[C@H]1C[NH3+] ZINC000131199564 591567786 /nfs/dbraw/zinc/56/77/86/591567786.db2.gz CRYGAXIIANSRPF-ZJUUUORDSA-N 1 0 214.309 0.751 10 0 BCAERO CO[C@@H](C)CC(=O)N1CCCC[C@H]1C[NH3+] ZINC000131199360 591568167 /nfs/dbraw/zinc/56/81/67/591568167.db2.gz CRYGAXIIANSRPF-UWVGGRQHSA-N 1 0 214.309 0.751 10 0 BCAERO CCC[C@@H](C(=O)NN1CCOCC1)[NH+](C)C ZINC000131973035 591681799 /nfs/dbraw/zinc/68/17/99/591681799.db2.gz WGRDYRVFZJNKEW-JTQLQIEISA-N 1 0 229.324 0.080 10 0 BCAERO CCC[C@H](C(=O)NN1CCOCC1)[NH+](C)C ZINC000131973221 591682644 /nfs/dbraw/zinc/68/26/44/591682644.db2.gz WGRDYRVFZJNKEW-SNVBAGLBSA-N 1 0 229.324 0.080 10 0 BCAERO CC(C)(C)[C@H](O)C[NH2+][C@H]1CCCS(=O)(=O)C1 ZINC000132175636 591691618 /nfs/dbraw/zinc/69/16/18/591691618.db2.gz PMWVAIWWDAABIY-VHSXEESVSA-N 1 0 249.376 0.560 10 0 BCAERO CN(CC[NH3+])c1ccc(C(F)(F)F)nn1 ZINC000132510971 591714337 /nfs/dbraw/zinc/71/43/37/591714337.db2.gz GLKLISMDLNACKS-UHFFFAOYSA-N 1 0 220.198 0.890 10 0 BCAERO C[C@H]([NH3+])[C@H]1CN(c2ncnc3c2CCC3)CCO1 ZINC000132895156 591746451 /nfs/dbraw/zinc/74/64/51/591746451.db2.gz POEKTJYSAOYOFY-JOYOIKCWSA-N 1 0 248.330 0.518 10 0 BCAERO C[C@H]([NH3+])[C@@H]1CN(c2ncnc3c2CCC3)CCO1 ZINC000132894761 591746947 /nfs/dbraw/zinc/74/69/47/591746947.db2.gz POEKTJYSAOYOFY-CABZTGNLSA-N 1 0 248.330 0.518 10 0 BCAERO O=C(NC[C@H]1CC[NH2+]C1)[C@@H](O)c1ccccc1 ZINC000133660331 591844944 /nfs/dbraw/zinc/84/49/44/591844944.db2.gz ALXQFVQEMVRRKM-JQWIXIFHSA-N 1 0 234.299 0.446 10 0 BCAERO C[C@@H]1OCC[C@H]1NC(=O)C1(C[NH3+])CCCC1 ZINC000134249090 591906759 /nfs/dbraw/zinc/90/67/59/591906759.db2.gz WGQBYTGGXWNJCG-VHSXEESVSA-N 1 0 226.320 0.799 10 0 BCAERO C[C@@H]1OCC[C@@H]1NC(=O)C[C@@H]1CSCC[NH2+]1 ZINC000134255715 591907099 /nfs/dbraw/zinc/90/70/99/591907099.db2.gz BBPFFSCTNVUAOU-AEJSXWLSSA-N 1 0 244.360 0.375 10 0 BCAERO C[C@H]1OCC[C@H]1NC(=O)C1([NH3+])CCCCC1 ZINC000134257529 591907572 /nfs/dbraw/zinc/90/75/72/591907572.db2.gz OZKYLPKZRZEQDJ-NXEZZACHSA-N 1 0 226.320 0.942 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)NOCC(F)(F)F ZINC000134361246 591921930 /nfs/dbraw/zinc/92/19/30/591921930.db2.gz UALRMDYOSXYXEX-ZCFIWIBFSA-N 1 0 228.214 0.970 10 0 BCAERO O=C(C[C@H]1CCC[NH2+]C1)NOCC(F)(F)F ZINC000134361911 591921992 /nfs/dbraw/zinc/92/19/92/591921992.db2.gz GPKAZVSQCWNUKC-SSDOTTSWSA-N 1 0 240.225 0.986 10 0 BCAERO O=C(CC[C@@H]1CC[NH2+]C1)NC[C@H]1CCC[C@@H]1O ZINC000134579492 591938303 /nfs/dbraw/zinc/93/83/03/591938303.db2.gz XAQDIDGBZIMARR-UTUOFQBUSA-N 1 0 240.347 0.653 10 0 BCAERO O=C(CC[C@@H]1CC[NH2+]C1)NC[C@H]1CCC[C@H]1O ZINC000134579447 591938582 /nfs/dbraw/zinc/93/85/82/591938582.db2.gz XAQDIDGBZIMARR-IJLUTSLNSA-N 1 0 240.347 0.653 10 0 BCAERO O=C(CC[C@@H]1CC[NH2+]C1)NC[C@@H]1CCC[C@H]1O ZINC000134579468 591938785 /nfs/dbraw/zinc/93/87/85/591938785.db2.gz XAQDIDGBZIMARR-GRYCIOLGSA-N 1 0 240.347 0.653 10 0 BCAERO CCN(CC)C(=O)CNC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000135265971 592000144 /nfs/dbraw/zinc/00/01/44/592000144.db2.gz CEVZGEGFGYXNDD-VHSXEESVSA-N 1 0 241.335 0.098 10 0 BCAERO O=C(CCc1ccncc1)NC[C@@H]1CC[NH2+]C1 ZINC000136039459 592091189 /nfs/dbraw/zinc/09/11/89/592091189.db2.gz XVTVOXDXZUHNDR-GFCCVEGCSA-N 1 0 233.315 0.740 10 0 BCAERO CC(C)C[C@H](O)CNC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000300240185 592505696 /nfs/dbraw/zinc/50/56/96/592505696.db2.gz VOKOAUYULGEIDJ-SDDRHHMPSA-N 1 0 242.363 0.885 10 0 BCAERO C[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H](O)C(F)(F)F ZINC000300354709 592507238 /nfs/dbraw/zinc/50/72/38/592507238.db2.gz CNVQDFHMHQKZIG-ACZMJKKPSA-N 1 0 240.225 0.024 10 0 BCAERO COC[C@@H]([NH3+])C(=O)Nc1ccc(F)nc1 ZINC000300346104 592507393 /nfs/dbraw/zinc/50/73/93/592507393.db2.gz QHUPFBUNLAARDE-SSDOTTSWSA-N 1 0 213.212 0.133 10 0 BCAERO Cc1cnn(CC[NH2+]C[C@H](O)COC(C)C)c1 ZINC000223034165 592515033 /nfs/dbraw/zinc/51/50/33/592515033.db2.gz AFMZXPTUYQLOCC-LBPRGKRZSA-N 1 0 241.335 0.567 10 0 BCAERO CC[C@@H]1C[NH+](CC[C@H](N)C(N)=O)C[C@@H](CC)O1 ZINC000398503770 634380729 /nfs/dbraw/zinc/38/07/29/634380729.db2.gz AVNAQSPKARBILM-MXWKQRLJSA-N 1 0 243.351 0.079 10 0 BCAERO C([C@@H]1CCCO1)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000299894455 634395006 /nfs/dbraw/zinc/39/50/06/634395006.db2.gz WRVQKGJNEUXURJ-SDDRHHMPSA-N 1 0 210.321 0.849 10 0 BCAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)N1CCCO1 ZINC000333773971 634435225 /nfs/dbraw/zinc/43/52/25/634435225.db2.gz CMTZUQYDEZTBHE-DTWKUNHWSA-N 1 0 213.281 0.474 10 0 BCAERO CCN1CCO[C@@H](C[NH2+][C@H]2COCC2(C)C)C1 ZINC000313091634 634448542 /nfs/dbraw/zinc/44/85/42/634448542.db2.gz TYHDKZWMEBDOET-RYUDHWBXSA-N 1 0 242.363 0.722 10 0 BCAERO CCn1ccnc(N2CC[C@@H](CC[NH3+])C2)c1=O ZINC000125465225 634507886 /nfs/dbraw/zinc/50/78/86/634507886.db2.gz GIPUUVIBBFNFGP-SNVBAGLBSA-N 1 0 236.319 0.438 10 0 BCAERO CN(C)c1nccc(N2CC[C@@H](CC[NH3+])C2)n1 ZINC000125506119 634523986 /nfs/dbraw/zinc/52/39/86/634523986.db2.gz VWEQUVKSZVSYII-SNVBAGLBSA-N 1 0 235.335 0.718 10 0 BCAERO CCN1CCC[C@@H]([NH2+][C@@H]2CCCNC(=O)C2)C1 ZINC000111828444 634537039 /nfs/dbraw/zinc/53/70/39/634537039.db2.gz HICIDULQUAKRFE-VXGBXAGGSA-N 1 0 239.363 0.729 10 0 BCAERO CC[C@](C)(O)C[NH+]1CCC2(CC1)OCCO2 ZINC000119386626 634567369 /nfs/dbraw/zinc/56/73/69/634567369.db2.gz GQMDNLBZUBSKOJ-NSHDSACASA-N 1 0 229.320 0.986 10 0 BCAERO CNc1cc(N2C[C@@H](C)[C@@H]([NH+](C)C)C2)ncn1 ZINC000125627886 634603093 /nfs/dbraw/zinc/60/30/93/634603093.db2.gz DBNWYGUXIHWKDJ-ZJUUUORDSA-N 1 0 235.335 0.905 10 0 BCAERO CC(C)C[C@@H](O)CNC(=O)C[C@H]([NH3+])C(C)C ZINC000225812248 635418829 /nfs/dbraw/zinc/41/88/29/635418829.db2.gz BAMFRRSYKJUOGL-MNOVXSKESA-N 1 0 230.352 0.883 10 0 BCAERO CCN(CC)C(=O)CNC(=O)C[C@@H]([NH3+])C(C)C ZINC000228818721 635465940 /nfs/dbraw/zinc/46/59/40/635465940.db2.gz NEMGMVPXQTUMPN-SNVBAGLBSA-N 1 0 243.351 0.344 10 0 BCAERO C[C@@H]1C[C@@H]1NC(=S)NCC[NH+](C)C ZINC000308257988 631228367 /nfs/dbraw/zinc/22/83/67/631228367.db2.gz LYPPOHQFRVMDFJ-SFYZADRCSA-N 1 0 201.339 0.421 10 0 BCAERO COC(=O)/C(C)=C\C[NH2+]C(C)(C)CO ZINC000308435007 631331613 /nfs/dbraw/zinc/33/16/13/631331613.db2.gz KYAJCIFDNBVOJL-YVMONPNESA-N 1 0 201.266 0.466 10 0 BCAERO [NH3+]C[C@H]1CCC[C@@H]1NS(=O)(=O)N1CCCC1 ZINC000061884005 631340591 /nfs/dbraw/zinc/34/05/91/631340591.db2.gz UAMIYYZPTPYDNS-ZJUUUORDSA-N 1 0 247.364 0.044 10 0 BCAERO NC(=O)[C@@H]([NH3+])Cc1ccc(Br)cc1 ZINC000078284016 631341454 /nfs/dbraw/zinc/34/14/54/631341454.db2.gz IMIDKBDZFMKIDQ-QMMMGPOBSA-N 1 0 243.104 0.804 10 0 BCAERO NC(=O)[C@@H]([NH3+])Cc1ccc(Br)s1 ZINC000083144696 631420230 /nfs/dbraw/zinc/42/02/30/631420230.db2.gz MFWXQOFWCJRMFG-YFKPBYRVSA-N 1 0 249.133 0.866 10 0 BCAERO CC(C)(C)[NH2+]CCC(=O)NCC1CC(O)C1 ZINC000084449120 631440668 /nfs/dbraw/zinc/44/06/68/631440668.db2.gz QBOFXWOUYNOCLP-UHFFFAOYSA-N 1 0 228.336 0.652 10 0 BCAERO OC[C@@H]1C[N@H+](CC2(O)CCCCC2)CCO1 ZINC000086841540 631474872 /nfs/dbraw/zinc/47/48/72/631474872.db2.gz YWXGYUPOTGDKGK-NSHDSACASA-N 1 0 229.320 0.375 10 0 BCAERO C[C@H](CC[NH3+])Nc1cc(N(C)C)ncn1 ZINC000258550103 631498098 /nfs/dbraw/zinc/49/80/98/631498098.db2.gz AMQBZZXWCIBUHU-MRVPVSSYSA-N 1 0 209.297 0.692 10 0 BCAERO C[NH2+][C@H](C)CNS(=O)(=O)N1CCCC[C@@H]1C ZINC000234439486 631527728 /nfs/dbraw/zinc/52/77/28/631527728.db2.gz DGTOKPZBHHZAFB-ZJUUUORDSA-N 1 0 249.380 0.303 10 0 BCAERO COC(=O)[C@H]1C[NH2+]C[C@H]1c1cnn(C(C)C)c1 ZINC000234553462 631588442 /nfs/dbraw/zinc/58/84/42/631588442.db2.gz OZUGYTCRUORNNI-QWRGUYRKSA-N 1 0 237.303 0.940 10 0 BCAERO COC1CC([NH2+]C[C@@H](O)Cn2cccn2)C1 ZINC000234687428 631662769 /nfs/dbraw/zinc/66/27/69/631662769.db2.gz HHJVTHBBAVDDNT-HSOILSAZSA-N 1 0 225.292 0.011 10 0 BCAERO Cc1cc(NC(=O)[C@@H]([NH3+])CO)ccc1F ZINC000258923317 631686301 /nfs/dbraw/zinc/68/63/01/631686301.db2.gz KOPOAXDHJRVKKB-VIFPVBQESA-N 1 0 212.224 0.392 10 0 BCAERO O[C@H](C[NH2+][C@@H]1CCOC1)c1cccnc1 ZINC000308872513 631701077 /nfs/dbraw/zinc/70/10/77/631701077.db2.gz LCCPRKGRVLDFPV-GHMZBOCLSA-N 1 0 208.261 0.494 10 0 BCAERO CC[NH2+][C@H](Cn1nc(C)c(C)c1C)C(N)=O ZINC000045438012 631837833 /nfs/dbraw/zinc/83/78/33/631837833.db2.gz QTNZJXBJFYDHAK-SNVBAGLBSA-N 1 0 224.308 0.272 10 0 BCAERO CN(C[C@H]1CCCO1)C(=O)C[C@@H]1C[NH2+]CCO1 ZINC000091310931 631913533 /nfs/dbraw/zinc/91/35/33/631913533.db2.gz RDRRBAUTDSLCAX-GHMZBOCLSA-N 1 0 242.319 0.002 10 0 BCAERO CC[C@@H](CO)[NH2+]C[C@H](O)c1cccnc1 ZINC000309204603 631966221 /nfs/dbraw/zinc/96/62/21/631966221.db2.gz RVXJZYMBEUEAGS-QWRGUYRKSA-N 1 0 210.277 0.476 10 0 BCAERO Cc1cc(NCC2CC([NH3+])C2)n2ncnc2n1 ZINC000091524819 632049946 /nfs/dbraw/zinc/04/99/46/632049946.db2.gz XLQHHOSIDAKADQ-UHFFFAOYSA-N 1 0 232.291 0.582 10 0 BCAERO C[C@@](O)(Cn1cc(C[NH3+])nn1)c1ccccc1 ZINC000052099045 632072083 /nfs/dbraw/zinc/07/20/83/632072083.db2.gz RYEQJTAYCLOAGJ-GFCCVEGCSA-N 1 0 232.287 0.645 10 0 BCAERO Cc1cc(C(=O)N[C@@H]2C[NH+]3CCC2CC3)nn1C ZINC000222540229 635730243 /nfs/dbraw/zinc/73/02/43/635730243.db2.gz NSMMVAYZSUKUPT-GFCCVEGCSA-N 1 0 248.330 0.553 10 0 BCAERO O=C(N[C@H]1C[NH+]2CCC1CC2)c1cnccn1 ZINC000222590380 635732232 /nfs/dbraw/zinc/73/22/32/635732232.db2.gz QKHNUVHEPMTANW-NSHDSACASA-N 1 0 232.287 0.301 10 0 BCAERO O=S1(=O)CC[C@H]2C[N@@H+](CC3(O)CCC3)C[C@H]21 ZINC000329195111 635770199 /nfs/dbraw/zinc/77/01/99/635770199.db2.gz UBDCGRNCHLXRCQ-VHSXEESVSA-N 1 0 245.344 0.020 10 0 BCAERO CO[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CN(C)CCO1 ZINC000219547126 632507990 /nfs/dbraw/zinc/50/79/90/632507990.db2.gz NVMKNTJBKGCFDM-GRYCIOLGSA-N 1 0 228.336 0.474 10 0 BCAERO CCC[C@](C)([NH3+])C(=O)N[C@H]1CCO[C@H]1C ZINC000251325289 632547736 /nfs/dbraw/zinc/54/77/36/632547736.db2.gz MMVKXXQKTQVHGO-QXEWZRGKSA-N 1 0 214.309 0.798 10 0 BCAERO Cc1cc(N)nc(N2CCc3c(ncn3C)C2)[nH+]1 ZINC000892390234 632590418 /nfs/dbraw/zinc/59/04/18/632590418.db2.gz ATAOMJYOLKWUOD-UHFFFAOYSA-N 1 0 244.302 0.663 10 0 BCAERO C[C@@H]1C[C@H](C(=O)N[C@@H]2CCC[C@@H](O)C2)CC[NH2+]1 ZINC000235373491 632678865 /nfs/dbraw/zinc/67/88/65/632678865.db2.gz URNDZHCOAPUQAF-DDHJBXDOSA-N 1 0 240.347 0.794 10 0 BCAERO CCC[NH2+][C@@H](Cn1cnc(C)c1C)C(N)=O ZINC000051928171 632764586 /nfs/dbraw/zinc/76/45/86/632764586.db2.gz LHKXURKKEUDVTE-JTQLQIEISA-N 1 0 224.308 0.353 10 0 BCAERO CC[NH2+][C@@](C)(Cn1cnc(C)c1C)C(N)=O ZINC000051928187 632765918 /nfs/dbraw/zinc/76/59/18/632765918.db2.gz INVXYXUWFUSCRK-NSHDSACASA-N 1 0 224.308 0.353 10 0 BCAERO [NH3+]C[C@H]1CN(c2nccc3occc32)CCO1 ZINC000236231102 632769203 /nfs/dbraw/zinc/76/92/03/632769203.db2.gz XHKISWLJFNLOFJ-VIFPVBQESA-N 1 0 233.271 0.992 10 0 BCAERO CCS(=O)(=O)CC[NH2+][C@H]1CCCC[C@H]1O ZINC000052013745 632777811 /nfs/dbraw/zinc/77/78/11/632777811.db2.gz KSVLFFUYJBFDSR-VHSXEESVSA-N 1 0 235.349 0.314 10 0 BCAERO C[C@H]([NH3+])Cc1nc(Cc2ccncc2)no1 ZINC000053129749 633005503 /nfs/dbraw/zinc/00/55/03/633005503.db2.gz LDPTUIGRBLURSA-QMMMGPOBSA-N 1 0 218.260 0.945 10 0 BCAERO [NH3+]CCCc1nc(Cc2ccncc2)no1 ZINC000053129604 633005831 /nfs/dbraw/zinc/00/58/31/633005831.db2.gz YGIYDJBNDIAZRU-UHFFFAOYSA-N 1 0 218.260 0.947 10 0 BCAERO CC(C)(C)[C@@H](O)C[NH2+]C1CCN(C=O)CC1 ZINC000309397254 633013061 /nfs/dbraw/zinc/01/30/61/633013061.db2.gz VPWNEVPDRIXRDS-NSHDSACASA-N 1 0 228.336 0.604 10 0 BCAERO CN1CCO[C@H](C[NH2+][C@H]2CCc3cccnc32)C1 ZINC000299928397 635893115 /nfs/dbraw/zinc/89/31/15/635893115.db2.gz GNNKQIIXYBQPHA-OLZOCXBDSA-N 1 0 247.342 0.989 10 0 BCAERO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1c1cncn1CC ZINC000166554903 633117919 /nfs/dbraw/zinc/11/79/19/633117919.db2.gz OKFFDFDCHFHMOT-NXEZZACHSA-N 1 0 237.303 0.769 10 0 BCAERO C[C@@H](O)CCNC(=O)[C@@H]1CC[NH2+][C@H](C)C1 ZINC000309638367 633214873 /nfs/dbraw/zinc/21/48/73/633214873.db2.gz NPGABVYRERZZEZ-OPRDCNLKSA-N 1 0 214.309 0.262 10 0 BCAERO CC[N@@H+]1CCC[C@H](N2C(=O)[C@H](C)NC2=S)C1 ZINC000048843605 635934413 /nfs/dbraw/zinc/93/44/13/635934413.db2.gz XIPXVUJZDGFQOG-IUCAKERBSA-N 1 0 241.360 0.576 10 0 BCAERO COC[C@@H](C)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000237157980 636010723 /nfs/dbraw/zinc/01/07/23/636010723.db2.gz KFTSBASUPMIQOO-RKDXNWHRSA-N 1 0 200.282 0.137 10 0 BCAERO C[C@@H]1C[C@@H](O)C[N@H+](CC[S@](C)=O)C1 ZINC000307124390 635983164 /nfs/dbraw/zinc/98/31/64/635983164.db2.gz RDKUDFRYBQWLNK-KKFJDGPESA-N 1 0 205.323 0.068 10 0 BCAERO CC(C)[C@@H](C)NC(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000049308741 636058168 /nfs/dbraw/zinc/05/81/68/636058168.db2.gz AZWWDEQUZMSCON-GHMZBOCLSA-N 1 0 228.336 0.916 10 0 BCAERO COC[C@H](C)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000237231287 636066353 /nfs/dbraw/zinc/06/63/53/636066353.db2.gz RFXBHXQFVJNILX-VHSXEESVSA-N 1 0 214.309 0.466 10 0 BCAERO C[C@H](O)CCNC(=O)[C@@H]([NH3+])CC1CC1 ZINC000308472578 633729401 /nfs/dbraw/zinc/72/94/01/633729401.db2.gz JXBWNCFPFAHENO-CBAPKCEASA-N 1 0 200.282 0.001 10 0 BCAERO C[C@H]1[C@@H](N(C)C)CC[N@@H+]1[C@@H]1CCC[C@H]1O ZINC000328386171 633760750 /nfs/dbraw/zinc/76/07/50/633760750.db2.gz MGBJCEOGKDYFSX-NNYUYHANSA-N 1 0 212.337 0.924 10 0 BCAERO CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CSCN2)C1 ZINC000040503526 633816690 /nfs/dbraw/zinc/81/66/90/633816690.db2.gz AEEYXPFAENLWLP-ZJUUUORDSA-N 1 0 243.376 0.249 10 0 BCAERO C[C@@H]1COCCN1C(=O)[C@@H]([NH3+])CC1CC1 ZINC000308854402 633822948 /nfs/dbraw/zinc/82/29/48/633822948.db2.gz NRLXOCWSETWJDK-SCZZXKLOSA-N 1 0 212.293 0.361 10 0 BCAERO CC[NH2+]CC(=O)N1[C@@H](C)COC[C@@H]1C ZINC000308863386 633824581 /nfs/dbraw/zinc/82/45/81/633824581.db2.gz CQLNDCIVUKCWTM-IUCAKERBSA-N 1 0 200.282 0.232 10 0 BCAERO C[C@@H](O)[C@H](C)[NH2+]Cc1cnc2cnccn12 ZINC000309943002 633967650 /nfs/dbraw/zinc/96/76/50/633967650.db2.gz CITCOKQIGFHOBL-DTWKUNHWSA-N 1 0 220.276 0.588 10 0 BCAERO CC[C@H](O)C[NH2+][C@@H]1CCN(C(C)=O)C[C@H]1C ZINC000309722651 633997690 /nfs/dbraw/zinc/99/76/90/633997690.db2.gz WPDIOUIHXBFZMD-ADEWGFFLSA-N 1 0 228.336 0.604 10 0 BCAERO C[C@H]1NC(=O)CC[C@H]1[NH2+]CCC1OCCO1 ZINC000309829988 634017508 /nfs/dbraw/zinc/01/75/08/634017508.db2.gz YIFSZKWBEXIXDF-RKDXNWHRSA-N 1 0 228.292 0.006 10 0 BCAERO Cn1ncc2c1ncnc2NC[C@H]1CCC[NH2+]1 ZINC000053255054 634109999 /nfs/dbraw/zinc/10/99/99/634109999.db2.gz NYWLFFDOCFLJRS-MRVPVSSYSA-N 1 0 232.291 0.527 10 0 BCAERO CCCCOC(=O)CN1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000310309335 634112188 /nfs/dbraw/zinc/11/21/88/634112188.db2.gz DJFMMEOTFNNHQH-SRVKXCTJSA-N 1 0 240.347 0.999 10 0 BCAERO C[C@@H]1OCC[C@H]1NC(=O)C[C@H]1CSCC[NH2+]1 ZINC000252737118 634141852 /nfs/dbraw/zinc/14/18/52/634141852.db2.gz BBPFFSCTNVUAOU-LPEHRKFASA-N 1 0 244.360 0.375 10 0 BCAERO [NH2+]=C(NC[C@H]1CCC[C@H]1O)NC[C@@H]1CCCO1 ZINC000330363063 634238833 /nfs/dbraw/zinc/23/88/33/634238833.db2.gz IZAPINOBSQQCJF-OUAUKWLOSA-N 1 0 241.335 0.440 10 0 BCAERO O=S1(=O)CCCCN1[C@@H]1CCCC[NH2+]C1 ZINC000162649939 634251477 /nfs/dbraw/zinc/25/14/77/634251477.db2.gz SODPJKMWQIEKEF-SNVBAGLBSA-N 1 0 232.349 0.554 10 0 BCAERO Cc1ccc(C)c(NC(=O)[C@@H]([NH3+])CO)c1 ZINC000220317121 634260122 /nfs/dbraw/zinc/26/01/22/634260122.db2.gz YMQZNOKYNALEAQ-VIFPVBQESA-N 1 0 208.261 0.562 10 0 BCAERO [NH3+]C[C@H]1CCCN1c1ncnc2nc[nH]c21 ZINC000053663196 634292220 /nfs/dbraw/zinc/29/22/20/634292220.db2.gz FOGUZBSMNJNQTQ-SSDOTTSWSA-N 1 0 218.264 0.280 10 0 BCAERO O=c1cc(N2CC[N@@H+]3CCCC[C@@H]3C2)nc[nH]1 ZINC000162882930 635146754 /nfs/dbraw/zinc/14/67/54/635146754.db2.gz MSOZAYRDFKTSFX-SNVBAGLBSA-N 1 0 234.303 0.444 10 0 BCAERO [NH3+]C1CC(C(=O)NCc2ccccn2)C1 ZINC000258647228 635180678 /nfs/dbraw/zinc/18/06/78/635180678.db2.gz FMQCJIKOLVXGPU-UHFFFAOYSA-N 1 0 205.261 0.435 10 0 BCAERO C[C@H](C[NH3+])CNc1cc(N(C)C)ncn1 ZINC000258764149 635196922 /nfs/dbraw/zinc/19/69/22/635196922.db2.gz YBPAJBVKPYBGKS-MRVPVSSYSA-N 1 0 209.297 0.549 10 0 BCAERO CC[C@H](CO)C(=O)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000258832566 635209613 /nfs/dbraw/zinc/20/96/13/635209613.db2.gz SCZXVOUVYYCVJW-GHMZBOCLSA-N 1 0 228.336 0.415 10 0 BCAERO COC[C@@H]1C[NH2+]CCN1C[C@H]1CCCO1 ZINC000259254793 635258440 /nfs/dbraw/zinc/25/84/40/635258440.db2.gz QWOUZMNJXKTTAS-WDEREUQCSA-N 1 0 214.309 0.086 10 0 BCAERO CC(C)NC(=O)CC[NH2+]C(C)(C)CO ZINC000054048126 635337996 /nfs/dbraw/zinc/33/79/96/635337996.db2.gz JOEQPIYARJEXPO-UHFFFAOYSA-N 1 0 202.298 0.262 10 0 BCAERO CC(C)C[C@H](O)CNC(=O)C[C@@H]([NH3+])C(C)C ZINC000225812227 635417078 /nfs/dbraw/zinc/41/70/78/635417078.db2.gz BAMFRRSYKJUOGL-WDEREUQCSA-N 1 0 230.352 0.883 10 0 BCAERO C[C@H]1COC[C@H](C)N1C(=O)CC(C)(C)[NH3+] ZINC000178597813 635560748 /nfs/dbraw/zinc/56/07/48/635560748.db2.gz NRRDJJQXGUZSHE-IUCAKERBSA-N 1 0 214.309 0.750 10 0 BCAERO CC[NH2+]CC(=O)NC[C@H](O)C(C)(C)C ZINC000324300459 636241288 /nfs/dbraw/zinc/24/12/88/636241288.db2.gz CSSBYRMHZGKHLC-QMMMGPOBSA-N 1 0 202.298 0.119 10 0 BCAERO NC(=O)c1cc(NCC[NH2+]C2CC2)ccn1 ZINC000054267788 636297265 /nfs/dbraw/zinc/29/72/65/636297265.db2.gz KEDINAQKLRSVBM-UHFFFAOYSA-N 1 0 220.276 0.344 10 0 BCAERO CO[C@H](C)CC(=O)N1CCC[C@@H]1C[NH3+] ZINC000160390144 636337786 /nfs/dbraw/zinc/33/77/86/636337786.db2.gz NALQPTAMQABAQI-RKDXNWHRSA-N 1 0 200.282 0.361 10 0 BCAERO CCC[C@H](C(=O)NC1=NCCS1)[NH+](C)C ZINC000179115489 636641672 /nfs/dbraw/zinc/64/16/72/636641672.db2.gz BLUDPLUIOJRCCS-MRVPVSSYSA-N 1 0 229.349 0.936 10 0 BCAERO CC[NH+](CC)[C@@H](C)CNC(=O)NOC ZINC000121990161 636820538 /nfs/dbraw/zinc/82/05/38/636820538.db2.gz JEMRLBITAFAYAO-QMMMGPOBSA-N 1 0 203.286 0.577 10 0 BCAERO C[C@H]([NH3+])C(=O)NC[C@@H]1CCCC[C@@H]1O ZINC000082994840 636870200 /nfs/dbraw/zinc/87/02/00/636870200.db2.gz HLHKAFOGVGNKDS-CIUDSAMLSA-N 1 0 200.282 0.001 10 0 BCAERO CC(C)[C@@H]([NH3+])C(=O)NC[C@H]1CCCC[C@@H]1O ZINC000082994867 636871229 /nfs/dbraw/zinc/87/12/29/636871229.db2.gz ZKNKRTSVGSPHKM-OUAUKWLOSA-N 1 0 228.336 0.637 10 0 BCAERO O=C(NC[C@H]1CCCC[C@@H]1O)C1CC[NH2+]CC1 ZINC000085985849 636883600 /nfs/dbraw/zinc/88/36/00/636883600.db2.gz UHPOWRXQUZVACO-NEPJUHHUSA-N 1 0 240.347 0.653 10 0 BCAERO Cc1c(CN2CC[C@H]([NH3+])[C@H](C)C2)cnn1C ZINC000086884461 636889892 /nfs/dbraw/zinc/88/98/92/636889892.db2.gz SRNFJSGVXDESGQ-SKDRFNHKSA-N 1 0 222.336 0.898 10 0 BCAERO CC[C@@H](NS(=O)(=O)N1CC[NH2+]CC1)C(C)C ZINC000042594483 637294980 /nfs/dbraw/zinc/29/49/80/637294980.db2.gz GFLWKTFNGXRVAD-SNVBAGLBSA-N 1 0 249.380 0.161 10 0 BCAERO CC[C@@H](C(=O)N[C@H]1CCC(=O)N[C@H]1C)[NH+](C)C ZINC000908004807 638545651 /nfs/dbraw/zinc/54/56/51/638545651.db2.gz UZMOQAYUHKFEKK-GUBZILKMSA-N 1 0 241.335 0.110 10 0 BCAERO Cc1ccnc(N(C)CC(=O)N2CC[NH2+]CC2)c1 ZINC000043561761 638585360 /nfs/dbraw/zinc/58/53/60/638585360.db2.gz CQLGLXPGSPMWGN-UHFFFAOYSA-N 1 0 248.330 0.258 10 0 BCAERO CSCC[C@@H]([NH3+])C(=O)N[C@H](C)[C@@H]1CCCO1 ZINC000163584119 639213575 /nfs/dbraw/zinc/21/35/75/639213575.db2.gz SNCFIPINCWVTDM-BBBLOLIVSA-N 1 0 246.376 0.751 10 0 BCAERO CCCc1nc([C@H]2C[C@H](OC)C[NH2+]2)n(C)n1 ZINC000054697525 640303651 /nfs/dbraw/zinc/30/36/51/640303651.db2.gz HSHIWUGYCRBHCP-DTWKUNHWSA-N 1 0 224.308 0.817 10 0 BCAERO C[C@H](O)[C@@H]([NH3+])c1nc(C2CCCC2)nn1C ZINC000054699199 640321587 /nfs/dbraw/zinc/32/15/87/640321587.db2.gz AJTJWWWDOKXNCL-IONNQARKSA-N 1 0 224.308 0.853 10 0 BCAERO O[C@H]1C[NH2+][C@@H](c2nc(-c3ccoc3)no2)C1 ZINC000163676325 640401417 /nfs/dbraw/zinc/40/14/17/640401417.db2.gz CUONEIZLROIUFP-HTQZYQBOSA-N 1 0 221.216 0.725 10 0 BCAERO CCOC(=O)[C@H]1C[NH2+]C[C@@H]1c1ccnn1C ZINC000164781040 640505556 /nfs/dbraw/zinc/50/55/56/640505556.db2.gz LGKXENNVBBBGPA-IUCAKERBSA-N 1 0 223.276 0.286 10 0 BCAERO Cc1nccn1C[C@](C)([NH2+]C1CC1)C(N)=O ZINC000045433041 640556665 /nfs/dbraw/zinc/55/66/65/640556665.db2.gz IYJVSGAJEATXDJ-NSHDSACASA-N 1 0 222.292 0.188 10 0 BCAERO C[NH2+][C@](C)(CCCn1ccnc1C)C(N)=O ZINC000045432581 640556779 /nfs/dbraw/zinc/55/67/79/640556779.db2.gz JLQVMKBZGWINNU-LLVKDONJSA-N 1 0 224.308 0.435 10 0 BCAERO COC(=O)[C@@](C)([NH3+])CCCCn1ccnc1 ZINC000045431664 640557407 /nfs/dbraw/zinc/55/74/07/640557407.db2.gz PNWMUFJRWMMZOD-NSHDSACASA-N 1 0 225.292 0.944 10 0 BCAERO CC(C)c1nccn1CC[C@@](C)([NH3+])C(N)=O ZINC000045430725 640557732 /nfs/dbraw/zinc/55/77/32/640557732.db2.gz WSFLHLQTXNPUHF-LLVKDONJSA-N 1 0 224.308 0.599 10 0 BCAERO C[C@](Cn1cc(Cl)cn1)([NH2+]C1CC1)C(N)=O ZINC000045436949 640559270 /nfs/dbraw/zinc/55/92/70/640559270.db2.gz ITLPJGKVDLINPX-SNVBAGLBSA-N 1 0 242.710 0.533 10 0 BCAERO Cc1cnn(C[C@@](C)([NH2+]C2CC2)C(N)=O)c1 ZINC000045436423 640559534 /nfs/dbraw/zinc/55/95/34/640559534.db2.gz JKHPBSOPQWIUTH-LLVKDONJSA-N 1 0 222.292 0.188 10 0 BCAERO CCC[NH2+][C@@](C)(Cn1cc(Cl)cn1)C(N)=O ZINC000045436925 640559863 /nfs/dbraw/zinc/55/98/63/640559863.db2.gz MKRBNRSKYMVLTL-JTQLQIEISA-N 1 0 244.726 0.780 10 0 BCAERO Cc1cc2c(N(C)C3C[NH2+]C3)nccn2n1 ZINC000156987444 640560306 /nfs/dbraw/zinc/56/03/06/640560306.db2.gz ZIJRSLAALBGPGT-UHFFFAOYSA-N 1 0 217.276 0.446 10 0 BCAERO Cc1nn(CC[C@](C)([NH3+])C(N)=O)c(C)c1C ZINC000045458816 640564365 /nfs/dbraw/zinc/56/43/65/640564365.db2.gz XDGZCZAXWHCTRY-NSHDSACASA-N 1 0 224.308 0.401 10 0 BCAERO Cn1cnc(-c2nc([C@@H]3CCC[NH2+]C3)no2)c1 ZINC000225423005 640692405 /nfs/dbraw/zinc/69/24/05/640692405.db2.gz WPNCMOMKPLNIOF-MRVPVSSYSA-N 1 0 233.275 0.937 10 0 BCAERO C[C@H](O)[C@@H]([NH3+])c1nc(C(C)(C)C)nn1C ZINC000054698673 640711173 /nfs/dbraw/zinc/71/11/73/640711173.db2.gz IMIKHZNBQZYDBE-NKWVEPMBSA-N 1 0 212.297 0.493 10 0 BCAERO O=S1(=O)C[C@@H](O)[C@H]([NH2+]C[C@H]2CC=CCC2)C1 ZINC000226995461 640809683 /nfs/dbraw/zinc/80/96/83/640809683.db2.gz DWAOXFQCZDHORB-HBNTYKKESA-N 1 0 245.344 0.090 10 0 BCAERO CO[C@H](c1noc([C@H]2C[NH2+]CCO2)n1)C1CC1 ZINC000227330308 640827024 /nfs/dbraw/zinc/82/70/24/640827024.db2.gz DIVOVXWAVYVOAI-BDAKNGLRSA-N 1 0 239.275 0.828 10 0 BCAERO CO[C@@H](c1noc([C@@H]2C[NH2+]CCO2)n1)C1CC1 ZINC000227330286 640827502 /nfs/dbraw/zinc/82/75/02/640827502.db2.gz DIVOVXWAVYVOAI-DTWKUNHWSA-N 1 0 239.275 0.828 10 0 BCAERO C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1C(=O)NCC1CC([NH3+])C1 ZINC000227789449 640849565 /nfs/dbraw/zinc/84/95/65/640849565.db2.gz ILSXUYFZHVIYDU-BHHXUPSBSA-N 1 0 240.347 0.899 10 0 BCAERO CCCCOC[C@@H](O)CN1CCC[C@@H]([NH3+])C1 ZINC000227883211 640852044 /nfs/dbraw/zinc/85/20/44/640852044.db2.gz SLGROAGVQNKGGK-NEPJUHHUSA-N 1 0 230.352 0.587 10 0 BCAERO CCCCOC[C@@H](O)C[NH2+]CC[S@@](C)=O ZINC000227896587 640852385 /nfs/dbraw/zinc/85/23/85/640852385.db2.gz WKIHXSPOEIGQOI-ZUZCIYMTSA-N 1 0 237.365 0.132 10 0 BCAERO CCCCOC[C@@H](O)C[NH2+]CC[S@](C)=O ZINC000227896596 640852460 /nfs/dbraw/zinc/85/24/60/640852460.db2.gz WKIHXSPOEIGQOI-BONVTDFDSA-N 1 0 237.365 0.132 10 0 BCAERO CCCCOC[C@H](O)CN1CCC[C@@H]([NH3+])C1 ZINC000227883214 640852815 /nfs/dbraw/zinc/85/28/15/640852815.db2.gz SLGROAGVQNKGGK-VXGBXAGGSA-N 1 0 230.352 0.587 10 0 BCAERO CCCCOC[C@H](O)CN(C)[C@@H](C[NH3+])C1CC1 ZINC000227911632 640853630 /nfs/dbraw/zinc/85/36/30/640853630.db2.gz UQJSAVUVXPKOGM-OLZOCXBDSA-N 1 0 244.379 0.833 10 0 BCAERO CCCCOC[C@@H](O)C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000227910225 640854230 /nfs/dbraw/zinc/85/42/30/640854230.db2.gz TXCVMVKMLVCJPV-STQMWFEESA-N 1 0 244.379 0.835 10 0 BCAERO COCC[N@H+]1C[C@H](C(=O)OC)[C@H](C)C1 ZINC000087400418 640883945 /nfs/dbraw/zinc/88/39/45/640883945.db2.gz LWYHNWQOCCVYOQ-BDAKNGLRSA-N 1 0 201.266 0.374 10 0 BCAERO C[C@H]([NH3+])[C@H](C)C(=O)N[C@@H](C)[C@@H]1CCCO1 ZINC000228596432 640884471 /nfs/dbraw/zinc/88/44/71/640884471.db2.gz LNXIMHWRBTZHPD-XKNYDFJKSA-N 1 0 214.309 0.653 10 0 BCAERO CCOC[C@H](O)C[N@H+]1C[C@H](C(=O)OC)[C@H](C)C1 ZINC000228755833 640893244 /nfs/dbraw/zinc/89/32/44/640893244.db2.gz VSRXGIXQPLDDQC-MXWKQRLJSA-N 1 0 245.319 0.125 10 0 BCAERO CN(CC[NH3+])c1nc(C(F)(F)F)ns1 ZINC000228789034 640895956 /nfs/dbraw/zinc/89/59/56/640895956.db2.gz ZBVQUQQBQUUBTP-UHFFFAOYSA-N 1 0 226.227 0.952 10 0 BCAERO CCOC(=O)[C@H]1C[NH2+]C[C@H]1c1cccnc1 ZINC000229217149 640934143 /nfs/dbraw/zinc/93/41/43/640934143.db2.gz KZOXUQMZCHHBDM-QWRGUYRKSA-N 1 0 220.272 0.948 10 0 BCAERO CCOC(=O)[C@@H]1C[NH2+]C[C@@]12CCCOC2 ZINC000229214891 640934160 /nfs/dbraw/zinc/93/41/60/640934160.db2.gz BLQCAFFKJVRZGR-GXSJLCMTSA-N 1 0 213.277 0.566 10 0 BCAERO CCOC(=O)[C@H]1C[NH2+]C[C@@H]1c1ccncc1 ZINC000229218246 640934258 /nfs/dbraw/zinc/93/42/58/640934258.db2.gz QDQIULLTYKXGKG-MNOVXSKESA-N 1 0 220.272 0.948 10 0 BCAERO C[C@@H]1CN2CCCC[C@@H]2C[N@@H+]1CC[S@@](C)=O ZINC000229285309 640941518 /nfs/dbraw/zinc/94/15/18/640941518.db2.gz VBTVBDDXNRFTEI-XHBSWPGZSA-N 1 0 244.404 0.924 10 0 BCAERO CCS(=O)(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000061883945 641002737 /nfs/dbraw/zinc/00/27/37/641002737.db2.gz CGYIVDHUWWXTLM-YUMQZZPRSA-N 1 0 206.311 0.053 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1CCOC1 ZINC000061883836 641003097 /nfs/dbraw/zinc/00/30/97/641003097.db2.gz ZUHXPOLQFMUNPX-AEJSXWLSSA-N 1 0 212.293 0.267 10 0 BCAERO CC(C)(C)n1ncc2c1ncnc2NCC[NH3+] ZINC000062201928 641026095 /nfs/dbraw/zinc/02/60/95/641026095.db2.gz CCRBZSSUAYSAFO-UHFFFAOYSA-N 1 0 234.307 0.952 10 0 BCAERO c1cn2c(n1)CN(CCC[NH2+]C1CC1)CC2 ZINC000062255603 641030278 /nfs/dbraw/zinc/03/02/78/641030278.db2.gz AKUIBLRVXZDRHN-UHFFFAOYSA-N 1 0 220.320 0.841 10 0 BCAERO COc1cc(-c2noc(C[C@@H](C)[NH3+])n2)ncn1 ZINC000230141704 641030949 /nfs/dbraw/zinc/03/09/49/641030949.db2.gz UBJAWCDHCCWKIC-ZCFIWIBFSA-N 1 0 235.247 0.425 10 0 BCAERO Cc1nccn1CC[C@@H]([NH2+]C(C)C)C(N)=O ZINC000062535166 641057479 /nfs/dbraw/zinc/05/74/79/641057479.db2.gz ZCQHTCFYIBORAU-SNVBAGLBSA-N 1 0 224.308 0.434 10 0 BCAERO CCC[NH2+][C@H](CCn1ccnc1C)C(N)=O ZINC000062535022 641057993 /nfs/dbraw/zinc/05/79/93/641057993.db2.gz HYKZCNGTCPALEH-SNVBAGLBSA-N 1 0 224.308 0.435 10 0 BCAERO CCOC(=O)[C@@H]([NH3+])CCn1nc(C)cc1C ZINC000062535345 641058051 /nfs/dbraw/zinc/05/80/51/641058051.db2.gz WIFQVPDCUHJMCB-JTQLQIEISA-N 1 0 225.292 0.780 10 0 BCAERO CC(C)C[NH+]1CCN(CC[C@H]([NH3+])C(=O)[O-])CC1 ZINC000062532246 641058211 /nfs/dbraw/zinc/05/82/11/641058211.db2.gz ZMJUGLMWNOXDJB-NSHDSACASA-N 1 0 243.351 0.062 10 0 BCAERO CCC[NH2+][C@H](CCn1cc(C)cn1)C(N)=O ZINC000062535929 641059016 /nfs/dbraw/zinc/05/90/16/641059016.db2.gz RSBLZIWFFXPLDL-SNVBAGLBSA-N 1 0 224.308 0.435 10 0 BCAERO CNc1cc(N2CC[C@@H]([NH+](C)C)C2)ncn1 ZINC000087829108 641061268 /nfs/dbraw/zinc/06/12/68/641061268.db2.gz APPTXDGQLSXZGM-SECBINFHSA-N 1 0 221.308 0.659 10 0 BCAERO Cc1c(C[NH2+]C2COC(C)(C)OC2)cnn1C ZINC000230695401 641083240 /nfs/dbraw/zinc/08/32/40/641083240.db2.gz MXHYWKZXZKCWSB-UHFFFAOYSA-N 1 0 239.319 0.970 10 0 BCAERO CCC(C)(C)NC(=O)[C@@H](C)OC1C[NH2+]C1 ZINC000062809809 641093633 /nfs/dbraw/zinc/09/36/33/641093633.db2.gz AAHUVTLVIWTNBD-MRVPVSSYSA-N 1 0 214.309 0.668 10 0 BCAERO CC(C)CCNC(=O)[C@H](C)OC1C[NH2+]C1 ZINC000062809802 641094143 /nfs/dbraw/zinc/09/41/43/641094143.db2.gz SLPSHLJZDLRHTE-VIFPVBQESA-N 1 0 214.309 0.526 10 0 BCAERO C[C@H](OC1C[NH2+]C1)C(=O)N1CCCCC1 ZINC000062809815 641095550 /nfs/dbraw/zinc/09/55/50/641095550.db2.gz NGFGACRHWLBGBV-VIFPVBQESA-N 1 0 212.293 0.376 10 0 BCAERO c1c(COC2C[NH2+]C2)nc2ccccn12 ZINC000062809886 641095577 /nfs/dbraw/zinc/09/55/77/641095577.db2.gz GIGSENRHVKFWJP-UHFFFAOYSA-N 1 0 203.245 0.823 10 0 BCAERO COCCc1nc(C[C@H]2CCC[NH2+]C2)no1 ZINC000063084429 641128105 /nfs/dbraw/zinc/12/81/05/641128105.db2.gz AFSLFEKWUNJHFU-SECBINFHSA-N 1 0 225.292 0.801 10 0 BCAERO C[C@H]([NH3+])CCNC(=O)Cc1ccc(O)cc1 ZINC000063170174 641143183 /nfs/dbraw/zinc/14/31/83/641143183.db2.gz YRBIEWIWRCWQAY-VIFPVBQESA-N 1 0 222.288 0.788 10 0 BCAERO Nc1cnc(CN2CC[N@@H+]3CCC[C@@H]3C2)cn1 ZINC000231301409 641161227 /nfs/dbraw/zinc/16/12/27/641161227.db2.gz BNCYPJFIKYETJE-LLVKDONJSA-N 1 0 233.319 0.339 10 0 BCAERO CC[NH2+]CC(=O)N[C@H](C)c1ncc(C)o1 ZINC000231744665 641200573 /nfs/dbraw/zinc/20/05/73/641200573.db2.gz KXYRGUVTPXRXRY-MRVPVSSYSA-N 1 0 211.265 0.770 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N1CCC(C)CC1 ZINC000088002091 641223725 /nfs/dbraw/zinc/22/37/25/641223725.db2.gz KJQDLPWYNVOBMD-SECBINFHSA-N 1 0 200.282 0.219 10 0 BCAERO CO[C@@H](C[NH3+])Cc1nc([C@H](OC)C2CC2)no1 ZINC000232132689 641244334 /nfs/dbraw/zinc/24/43/34/641244334.db2.gz ADINYVAPHQNJDR-PSASIEDQSA-N 1 0 241.291 0.683 10 0 BCAERO [NH3+]C1(C(=O)NC[C@@H]2CCCC[C@H]2O)CCC1 ZINC000088051342 641281545 /nfs/dbraw/zinc/28/15/45/641281545.db2.gz AUHOZSZCZBLHKJ-VHSXEESVSA-N 1 0 226.320 0.535 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)NCC2CC([NH3+])C2)O1 ZINC000088143186 641317839 /nfs/dbraw/zinc/31/78/39/641317839.db2.gz KLJQTZGQFCBWNC-SEZDTBSWSA-N 1 0 212.293 0.407 10 0 BCAERO CCCCOC[C@@H](O)CN1CC[NH2+]CC1 ZINC000039594590 641403833 /nfs/dbraw/zinc/40/38/33/641403833.db2.gz UCWYNLLXVJPSGI-NSHDSACASA-N 1 0 216.325 0.069 10 0 BCAERO C[C@]1(C(=O)NC[C@@H]2CCC[C@@H]2O)CCC[NH2+]C1 ZINC000089169793 641511863 /nfs/dbraw/zinc/51/18/63/641511863.db2.gz QSXXWHFFCTURTI-GVXVVHGQSA-N 1 0 240.347 0.653 10 0 BCAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+][C@@H]1COCC1(C)C ZINC000313033134 641526717 /nfs/dbraw/zinc/52/67/17/641526717.db2.gz JMPYCBLCFDOJGO-LPEHRKFASA-N 1 0 226.320 0.668 10 0 BCAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+][C@H]1COCC1(C)C ZINC000313033130 641527341 /nfs/dbraw/zinc/52/73/41/641527341.db2.gz JMPYCBLCFDOJGO-AEJSXWLSSA-N 1 0 226.320 0.668 10 0 BCAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+][C@H]1COCC1(C)C ZINC000313033131 641527875 /nfs/dbraw/zinc/52/78/75/641527875.db2.gz JMPYCBLCFDOJGO-GUBZILKMSA-N 1 0 226.320 0.668 10 0 BCAERO [NH3+]C[C@H]1CN(C(=O)CC(F)(F)F)CCO1 ZINC000041058993 641540697 /nfs/dbraw/zinc/54/06/97/641540697.db2.gz ARNMSIKRTVEEHM-LURJTMIESA-N 1 0 226.198 0.125 10 0 BCAERO CCC(C)(C)NC(=O)C[NH2+]C(C)(C)CO ZINC000042212486 641549416 /nfs/dbraw/zinc/54/94/16/641549416.db2.gz WGVBBDQRHFGHCK-UHFFFAOYSA-N 1 0 216.325 0.652 10 0 BCAERO CN(C[C@H]1CCCO1)C(=O)[C@@H]1CCC[NH2+]1 ZINC000042465689 641552400 /nfs/dbraw/zinc/55/24/00/641552400.db2.gz FINDSVZXDARJFN-ZJUUUORDSA-N 1 0 212.293 0.376 10 0 BCAERO Cc1cc(N2C[C@H](C)O[C@@H](C)C2)nc(N)[nH+]1 ZINC000043531891 641565287 /nfs/dbraw/zinc/56/52/87/641565287.db2.gz KKUSMYFIZHISFW-IUCAKERBSA-N 1 0 222.292 0.981 10 0 BCAERO Cc1cc2c(N(C)C[C@@H](C)[NH3+])nccn2n1 ZINC000157026868 641613149 /nfs/dbraw/zinc/61/31/49/641613149.db2.gz FSONQSMYWKTQEW-MRVPVSSYSA-N 1 0 219.292 0.821 10 0 BCAERO CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@@H](O)[C@@H](C)CC ZINC000157850527 641624403 /nfs/dbraw/zinc/62/44/03/641624403.db2.gz RIPCGUXQUGMDKO-UKKRHICBSA-N 1 0 230.352 0.883 10 0 BCAERO COCc1ccc(C(=O)N2CCC[C@H]([NH3+])C2)o1 ZINC000157831246 641624631 /nfs/dbraw/zinc/62/46/31/641624631.db2.gz JEHRRGDGJGOESF-VIFPVBQESA-N 1 0 238.287 0.989 10 0 BCAERO Cc1nc(CC(=O)N2CCC[C@H]([NH3+])C2)cs1 ZINC000158286849 641629274 /nfs/dbraw/zinc/62/92/74/641629274.db2.gz JUGQZZHIJUQKNN-VIFPVBQESA-N 1 0 239.344 0.944 10 0 BCAERO CSCC[C@H](C)NC(=O)[C@H]1CC[NH2+]C1 ZINC000158332002 641631219 /nfs/dbraw/zinc/63/12/19/641631219.db2.gz LSRZOXDLVGMHNT-IUCAKERBSA-N 1 0 216.350 0.854 10 0 BCAERO CSCC[C@@H](C)NC(=O)[C@H]1CC[NH2+]C1 ZINC000158332146 641632162 /nfs/dbraw/zinc/63/21/62/641632162.db2.gz LSRZOXDLVGMHNT-BDAKNGLRSA-N 1 0 216.350 0.854 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)N1CCNC(=O)[C@H]1C(C)C ZINC000158447768 641635714 /nfs/dbraw/zinc/63/57/14/641635714.db2.gz LPBZZQDZOMHCTI-NXEZZACHSA-N 1 0 241.335 0.097 10 0 BCAERO [NH3+][C@H]1CCCN(C(=O)COCC2CC2)C1 ZINC000158551935 641639242 /nfs/dbraw/zinc/63/92/42/641639242.db2.gz KZKQAARKXSGRMB-JTQLQIEISA-N 1 0 212.293 0.363 10 0 BCAERO CCN(c1nnc(C)c(C)n1)[C@@H]1CC[NH2+]C1 ZINC000158975430 641659680 /nfs/dbraw/zinc/65/96/80/641659680.db2.gz NEHXVLADVDETDM-SNVBAGLBSA-N 1 0 221.308 0.677 10 0 BCAERO Cc1nnc(NCC2CC([NH3+])C2)nc1C ZINC000159037692 641661124 /nfs/dbraw/zinc/66/11/24/641661124.db2.gz FQJQQTNSGPNIES-UHFFFAOYSA-N 1 0 207.281 0.638 10 0 BCAERO CC(C)OCCNC(=O)C1([NH3+])CCOCC1 ZINC000159133762 641668834 /nfs/dbraw/zinc/66/88/34/641668834.db2.gz NKJVFVOEVKMYQP-UHFFFAOYSA-N 1 0 230.308 0.036 10 0 BCAERO O[C@H](C[NH2+]C[C@H]1CCCO1)c1cccnc1 ZINC000032014238 641711325 /nfs/dbraw/zinc/71/13/25/641711325.db2.gz QZOCTWHKAWWFQB-VXGBXAGGSA-N 1 0 222.288 0.884 10 0 BCAERO CC(C)(C)[C@H](O)CNC(=O)C[C@@H]([NH3+])C1CC1 ZINC000324392825 641791949 /nfs/dbraw/zinc/79/19/49/641791949.db2.gz ZFJZHUNAXIQYHW-NXEZZACHSA-N 1 0 228.336 0.637 10 0 BCAERO CCOC(C[N@@H+]1C[C@@H](C)[C@H](CO)C1)OCC ZINC000190899697 641892977 /nfs/dbraw/zinc/89/29/77/641892977.db2.gz WWEISENWMYWYHE-MNOVXSKESA-N 1 0 231.336 0.946 10 0 BCAERO C[C@@H]1C[N@H+](CC[C@H]2CCOC2=O)C[C@H]1CO ZINC000190907187 641894591 /nfs/dbraw/zinc/89/45/91/641894591.db2.gz ZBDPAMDOKSRZLP-VWYCJHECSA-N 1 0 227.304 0.500 10 0 BCAERO C[C@H]([NH2+]CC[S@](C)=O)[C@@H]1CCCO1 ZINC000308183657 642479629 /nfs/dbraw/zinc/47/96/29/642479629.db2.gz DUSAQARPLSCXQT-RVBZMBCESA-N 1 0 205.323 0.522 10 0 BCAERO CCCOCC(=O)N1C[C@H](C)[C@H]([NH3+])C1 ZINC000233224012 642652559 /nfs/dbraw/zinc/65/25/59/642652559.db2.gz VTMKLDBWFCZFGI-DTWKUNHWSA-N 1 0 200.282 0.219 10 0 BCAERO CCC[C@H]1C[C@@H]1[NH2+]CCS(C)(=O)=O ZINC000233406801 642669832 /nfs/dbraw/zinc/66/98/32/642669832.db2.gz HHSQMNBWUPIVFO-IUCAKERBSA-N 1 0 205.323 0.809 10 0 BCAERO [NH3+]C[C@H]1CCCN1C(=O)[C@@H]1CSCCS1 ZINC000238041487 642779542 /nfs/dbraw/zinc/77/95/42/642779542.db2.gz UFIHIACZUXGSNG-BDAKNGLRSA-N 1 0 246.401 0.785 10 0 BCAERO O[C@@H](C[N@@H+]1CC[C@H](N2CCOCC2)C1)C1CC1 ZINC000069092359 642830986 /nfs/dbraw/zinc/83/09/86/642830986.db2.gz DSHJTTLOGJMXRG-STQMWFEESA-N 1 0 240.347 0.164 10 0 BCAERO CCCc1nccn1C[C@@H]([NH2+]CC)C(N)=O ZINC000069964645 642947344 /nfs/dbraw/zinc/94/73/44/642947344.db2.gz YVDJTGYJZBZBHE-SECBINFHSA-N 1 0 224.308 0.299 10 0 BCAERO NC(=O)[C@H]([NH3+])CCn1cc(C(F)(F)F)cn1 ZINC000070019395 642956480 /nfs/dbraw/zinc/95/64/80/642956480.db2.gz ZGOVTZAOSHCXJT-ZCFIWIBFSA-N 1 0 236.197 0.105 10 0 BCAERO C[C@H]([NH3+])CC(=O)N[C@H]1COc2ccccc21 ZINC000070069125 642965076 /nfs/dbraw/zinc/96/50/76/642965076.db2.gz IVTVIVUZQQDJIL-WPRPVWTQSA-N 1 0 220.272 0.974 10 0 BCAERO C[C@@H]1COCCN1C(=O)[C@@]1(C)CCC[NH2+]1 ZINC000070618775 643048483 /nfs/dbraw/zinc/04/84/83/643048483.db2.gz GJYRFHFMRCDFHF-MWLCHTKSSA-N 1 0 212.293 0.376 10 0 BCAERO [NH3+]C[C@H]1CCCN1c1nccn2cnnc12 ZINC000070616897 643051313 /nfs/dbraw/zinc/05/13/13/643051313.db2.gz OHUUWDQYCCIBSJ-MRVPVSSYSA-N 1 0 218.264 0.052 10 0 BCAERO Cc1ccn(C[C@@](C)([NH2+]C(C)C)C(N)=O)n1 ZINC000070686725 643058364 /nfs/dbraw/zinc/05/83/64/643058364.db2.gz BYCHOCCDSIFGQS-LLVKDONJSA-N 1 0 224.308 0.434 10 0 BCAERO Cc1ccn(CC[C@@H]([NH2+]C(C)C)C(N)=O)n1 ZINC000070686357 643058713 /nfs/dbraw/zinc/05/87/13/643058713.db2.gz BLAQVIZWPVMQPI-SNVBAGLBSA-N 1 0 224.308 0.434 10 0 BCAERO CCOC(=O)[C@](C)([NH3+])CCn1ccc(C)n1 ZINC000070686634 643059737 /nfs/dbraw/zinc/05/97/37/643059737.db2.gz OTKYOJMMUPERSU-LLVKDONJSA-N 1 0 225.292 0.862 10 0 BCAERO Cc1nn(C[C@H]([NH2+]C(C)C)C(N)=O)cc1Cl ZINC000070704308 643062806 /nfs/dbraw/zinc/06/28/06/643062806.db2.gz OQJZHSSHUHFWNG-VIFPVBQESA-N 1 0 244.726 0.697 10 0 BCAERO CC(C)[C@H]([NH3+])Cc1nc(-c2nc[nH]n2)no1 ZINC000071000752 643092762 /nfs/dbraw/zinc/09/27/62/643092762.db2.gz AJURTGORKXIFRC-ZCFIWIBFSA-N 1 0 222.252 0.381 10 0 BCAERO COC(C)(C)C[C@](C)(C[NH3+])OCCO ZINC000234660645 643132251 /nfs/dbraw/zinc/13/22/51/643132251.db2.gz AHNIIWPQAMDHQI-SNVBAGLBSA-N 1 0 205.298 0.528 10 0 BCAERO C[C@H](NS(=O)(=O)CC1CC[NH2+]CC1)C1CC1 ZINC000049643369 643133043 /nfs/dbraw/zinc/13/30/43/643133043.db2.gz ISCGCPLEIZRFLE-VIFPVBQESA-N 1 0 246.376 0.704 10 0 BCAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1CN1CCCC1=O ZINC000246882806 643158722 /nfs/dbraw/zinc/15/87/22/643158722.db2.gz BBIBDJGFCYGXIE-NEPJUHHUSA-N 1 0 237.347 0.735 10 0 BCAERO c1nc2ncnc(NC[C@H]3C[NH2+]CCOC3)c2[nH]1 ZINC000072156162 643217506 /nfs/dbraw/zinc/21/75/06/643217506.db2.gz GNUVIQRQPUXWDR-MRVPVSSYSA-N 1 0 248.290 0.001 10 0 BCAERO Cc1nsc(N2C[C@@H](F)C[C@H]2C[NH3+])n1 ZINC000306773747 643243304 /nfs/dbraw/zinc/24/33/04/643243304.db2.gz IZLBGGLYRNKMIL-BQBZGAKWSA-N 1 0 216.285 0.722 10 0 BCAERO CC(C)(CO)[NH2+]CC(=O)NC1CCCC1 ZINC000035102013 643247300 /nfs/dbraw/zinc/24/73/00/643247300.db2.gz GFSCPYGCKFDJSW-UHFFFAOYSA-N 1 0 214.309 0.406 10 0 BCAERO Cc1cc(C)n(CC[NH2+]C(C)(C)CO)n1 ZINC000069246727 643248546 /nfs/dbraw/zinc/24/85/46/643248546.db2.gz CIEQYEFTUXJCFK-UHFFFAOYSA-N 1 0 211.309 0.860 10 0 BCAERO C[C@H](O)C1CCN(C(=O)[C@@H]([NH3+])CC2CC2)CC1 ZINC000306101468 643297534 /nfs/dbraw/zinc/29/75/34/643297534.db2.gz PPEAZTMPFFFJFL-CABZTGNLSA-N 1 0 240.347 0.733 10 0 BCAERO CCOC(=O)[C@H]1C[NH2+]C[C@H]1c1c[nH]cn1 ZINC000757190094 643361191 /nfs/dbraw/zinc/36/11/91/643361191.db2.gz PNIPYRKOYKEXHB-SFYZADRCSA-N 1 0 209.249 0.276 10 0 BCAERO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1c1ccc[nH]1 ZINC000757192111 643364866 /nfs/dbraw/zinc/36/48/66/643364866.db2.gz VHJJBEKPSXVYGB-RKDXNWHRSA-N 1 0 208.261 0.881 10 0 BCAERO [NH3+]C[C@H]1CCC[C@@]12CCS(=O)(=O)C2 ZINC000757196251 643366246 /nfs/dbraw/zinc/36/62/46/643366246.db2.gz UJWLKXHYUFXIKY-BDAKNGLRSA-N 1 0 203.307 0.550 10 0 BCAERO [NH3+][C@@H]1C[NH2+]C[C@@H](c2ccc(C(=O)[O-])cc2)C1 ZINC000757236392 643374066 /nfs/dbraw/zinc/37/40/66/643374066.db2.gz OKRPGFGEJDVGNH-QWRGUYRKSA-N 1 0 220.272 0.789 10 0 BCAERO Cc1nc(C)n([C@H](C)C[C@@](C)([NH3+])C(N)=O)n1 ZINC000082800558 643381992 /nfs/dbraw/zinc/38/19/92/643381992.db2.gz MQDSETWNDBDWSI-LHLIQPBNSA-N 1 0 225.296 0.049 10 0 BCAERO Cc1nn([C@@H](C)C[C@@](C)([NH3+])C(N)=O)cc1Cl ZINC000082800601 643382724 /nfs/dbraw/zinc/38/27/24/643382724.db2.gz BSNJHSNMJJPUMT-QUBYGPBYSA-N 1 0 244.726 0.999 10 0 BCAERO CN(C)c1nccc(NC[C@H]([NH3+])C2CC2)n1 ZINC000082924649 643389177 /nfs/dbraw/zinc/38/91/77/643389177.db2.gz UVWGMIMYHHIVEE-VIFPVBQESA-N 1 0 221.308 0.692 10 0 BCAERO CC(C)([NH3+])C(=O)NC[C@H]1CCCC[C@H]1O ZINC000082995041 643397047 /nfs/dbraw/zinc/39/70/47/643397047.db2.gz PGJXIOAOWOXBIK-RKDXNWHRSA-N 1 0 214.309 0.391 10 0 BCAERO CC(C)(F)C(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000307156802 643414643 /nfs/dbraw/zinc/41/46/43/643414643.db2.gz ONLIKUIGWPDBKM-YUMQZZPRSA-N 1 0 202.273 0.978 10 0 BCAERO C[C@@H]([NH2+]C[C@H]1CNC(=O)O1)c1cccnc1 ZINC000291627777 643415337 /nfs/dbraw/zinc/41/53/37/643415337.db2.gz AFTHWWNQVSJZQY-SCZZXKLOSA-N 1 0 221.260 0.841 10 0 BCAERO Cc1ncn(C[C@@]([NH3+])(C(N)=O)C2CC2)c1C ZINC000068943283 643434264 /nfs/dbraw/zinc/43/42/64/643434264.db2.gz XWZSFBZMKRWHGM-NSHDSACASA-N 1 0 222.292 0.093 10 0 BCAERO CCOC[C@H](O)C[N@@H+]1CCC[C@H](C(C)=O)C1 ZINC000068953017 643437335 /nfs/dbraw/zinc/43/73/35/643437335.db2.gz BGVZXYSZMDGDQU-NWDGAFQWSA-N 1 0 229.320 0.685 10 0 BCAERO CCCc1nccn1CC[C@H]([NH3+])C(=O)OC ZINC000069964617 643452717 /nfs/dbraw/zinc/45/27/17/643452717.db2.gz RVCJTISXGXNZHR-VIFPVBQESA-N 1 0 225.292 0.726 10 0 BCAERO C[NH2+][C@](C)(C[C@@H](C)n1cc(C)cn1)C(N)=O ZINC000082800510 643524776 /nfs/dbraw/zinc/52/47/76/643524776.db2.gz MPQWNJVONKWLRI-MWLCHTKSSA-N 1 0 224.308 0.606 10 0 BCAERO C[C@H](C[NH3+])c1noc(C[C@@H]2CCCO2)n1 ZINC000083525241 643583812 /nfs/dbraw/zinc/58/38/12/643583812.db2.gz VYVDLLGICVAGNX-SFYZADRCSA-N 1 0 211.265 0.853 10 0 BCAERO Cc1nc(N2CCO[C@@H](C[NH3+])C2)sc1C ZINC000083532567 643584565 /nfs/dbraw/zinc/58/45/65/643584565.db2.gz CFNQTZQQLONXKO-VIFPVBQESA-N 1 0 227.333 0.924 10 0 BCAERO CC(C)c1nnsc1C(=O)N[C@@H]1CC[NH2+]C1 ZINC000083577389 643590826 /nfs/dbraw/zinc/59/08/26/643590826.db2.gz NOMORVJLRODQOY-SSDOTTSWSA-N 1 0 240.332 0.753 10 0 BCAERO CC(C)(CO)[NH2+]Cc1cc(=O)n2ccccc2n1 ZINC000048694142 643603450 /nfs/dbraw/zinc/60/34/50/643603450.db2.gz ZVEKQIYKFLTMOL-UHFFFAOYSA-N 1 0 247.298 0.555 10 0 BCAERO C[C@](O)(CO)C[NH2+]CCc1ccccc1 ZINC000085251376 643607570 /nfs/dbraw/zinc/60/75/70/643607570.db2.gz SXKJBVQNOAZGNM-GFCCVEGCSA-N 1 0 209.289 0.562 10 0 BCAERO C[C@@H]1SCC[C@H]1NC(=O)[C@H]1CC[NH2+]C1 ZINC000306241740 643622094 /nfs/dbraw/zinc/62/20/94/643622094.db2.gz MPRLLFAJUPNJSG-XHNCKOQMSA-N 1 0 214.334 0.606 10 0 BCAERO C[NH2+][C@@]1(C(N)=O)CC[C@@H](n2ccnc2C)C1 ZINC000086626651 643636708 /nfs/dbraw/zinc/63/67/08/643636708.db2.gz ORSUYEPSJKXSIW-KOLCDFICSA-N 1 0 222.292 0.360 10 0 BCAERO COCCNC(=O)[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000084301140 643657752 /nfs/dbraw/zinc/65/77/52/643657752.db2.gz DZXCVOOLYRSALC-NXEZZACHSA-N 1 0 214.309 0.514 10 0 BCAERO COCC[C@H](C)NC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000085013815 643681113 /nfs/dbraw/zinc/68/11/13/643681113.db2.gz RTHIYDMIZBJSOM-GUBZILKMSA-N 1 0 214.309 0.655 10 0 BCAERO [NH3+]Cc1cccc(C(=O)N[C@H]2CCCNC2=O)c1 ZINC000050397186 643695246 /nfs/dbraw/zinc/69/52/46/643695246.db2.gz UWFKAQREERCXLE-NSHDSACASA-N 1 0 247.298 0.154 10 0 BCAERO C[C@H]1[NH2+]CCC[C@H]1NC(=O)[C@@H]1CCCO1 ZINC000085727154 643791507 /nfs/dbraw/zinc/79/15/07/643791507.db2.gz HFIBIUOBSHKXQE-BBBLOLIVSA-N 1 0 212.293 0.422 10 0 BCAERO CCN1CCO[C@@H](C[NH2+]C[C@H](O)C2CC2)C1 ZINC000086004704 643883200 /nfs/dbraw/zinc/88/32/00/643883200.db2.gz OCUNCPHAVWGQPG-RYUDHWBXSA-N 1 0 228.336 0.068 10 0 BCAERO CCN(CC)C(=O)[C@H](C)[NH2+]C(C)(C)CO ZINC000035188364 643913543 /nfs/dbraw/zinc/91/35/43/643913543.db2.gz SDXHLOPUWFWJLR-VIFPVBQESA-N 1 0 216.325 0.604 10 0 BCAERO Cc1ccnc(NCCN2CCC([NH3+])CC2)n1 ZINC000321427892 644130007 /nfs/dbraw/zinc/13/00/07/644130007.db2.gz WQVWJPYVGYRCPI-UHFFFAOYSA-N 1 0 235.335 0.620 10 0 BCAERO NC(=O)[C@]1([NH3+])CCC[C@@H]1CCn1cccn1 ZINC000086547944 644147614 /nfs/dbraw/zinc/14/76/14/644147614.db2.gz GSKMXBAUPJYDRL-KOLCDFICSA-N 1 0 222.292 0.256 10 0 BCAERO NC(=O)[C@@]1([NH3+])CCC[C@@H]1CCn1ccnc1 ZINC000086547934 644147964 /nfs/dbraw/zinc/14/79/64/644147964.db2.gz DAUUCBGDDDJHMM-MWLCHTKSSA-N 1 0 222.292 0.256 10 0 BCAERO C[NH2+][C@]1(C(N)=O)CCC[C@H](n2cccn2)C1 ZINC000086604665 644155757 /nfs/dbraw/zinc/15/57/57/644155757.db2.gz DKPXKOYIOJIKDJ-GXSJLCMTSA-N 1 0 222.292 0.442 10 0 BCAERO C[NH2+][C@]1(C(N)=O)CC[C@H](n2ccnc2C)C1 ZINC000086626648 644156691 /nfs/dbraw/zinc/15/66/91/644156691.db2.gz ORSUYEPSJKXSIW-GXSJLCMTSA-N 1 0 222.292 0.360 10 0 BCAERO C[C@@H]1[NH2+]CCC[C@H]1NS(=O)(=O)CCCF ZINC000193452334 644243113 /nfs/dbraw/zinc/24/31/13/644243113.db2.gz OTSXHKBVOYHGKR-DTWKUNHWSA-N 1 0 238.328 0.406 10 0 BCAERO CCCC(=O)NCC(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000193488738 644247141 /nfs/dbraw/zinc/24/71/41/644247141.db2.gz YYAXTYJBOJHGCF-UWVGGRQHSA-N 1 0 241.335 0.159 10 0 BCAERO Cc1cc(=O)[nH]cc1C(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000193530757 644250794 /nfs/dbraw/zinc/25/07/94/644250794.db2.gz CDVQGXZZVIWTOC-GXSJLCMTSA-N 1 0 249.314 0.554 10 0 BCAERO O=C(NC[C@@H]1CCCC[C@H]1O)[C@@H]1CCC[NH2+]C1 ZINC000085985876 644454701 /nfs/dbraw/zinc/45/47/01/644454701.db2.gz SUZZQWMJOGGSSC-QJPTWQEYSA-N 1 0 240.347 0.653 10 0 BCAERO C[NH2+]C[C@H](C)C(=O)N[C@H]1CCCOC1 ZINC000086069091 644456092 /nfs/dbraw/zinc/45/60/92/644456092.db2.gz BSNXMAUATKKLHB-IUCAKERBSA-N 1 0 200.282 0.137 10 0 BCAERO [NH3+]C1CC(CNC(=O)NC2CCCC2)C1 ZINC000087314452 644487966 /nfs/dbraw/zinc/48/79/66/644487966.db2.gz FFXSTRQMRVMDJQ-UHFFFAOYSA-N 1 0 211.309 0.966 10 0 BCAERO CCCNC(=O)N[C@@H]1CC[NH2+]C[C@@H]1F ZINC000685946219 644517567 /nfs/dbraw/zinc/51/75/67/644517567.db2.gz MOEMAMAIJFKOJW-JGVFFNPUSA-N 1 0 203.261 0.396 10 0 BCAERO CCCNC(=O)N[C@H]1CC[NH2+]C[C@@H]1F ZINC000685946221 644517613 /nfs/dbraw/zinc/51/76/13/644517613.db2.gz MOEMAMAIJFKOJW-YUMQZZPRSA-N 1 0 203.261 0.396 10 0 BCAERO CCCCNC(=O)N[C@H]1CC[NH2+]C[C@H]1F ZINC000685946174 644517692 /nfs/dbraw/zinc/51/76/92/644517692.db2.gz LMOXISUNMGDGEF-BDAKNGLRSA-N 1 0 217.288 0.786 10 0 BCAERO CCCCS(=O)(=O)NC[C@@]12CC[C@H]1CC[NH2+]2 ZINC000685946145 644517961 /nfs/dbraw/zinc/51/79/61/644517961.db2.gz DELSVPFMKCOGDV-QWRGUYRKSA-N 1 0 246.376 0.848 10 0 BCAERO c1nnn([C@@H]2CC[NH2+]C2)c1-c1cnccn1 ZINC000685951883 644518529 /nfs/dbraw/zinc/51/85/29/644518529.db2.gz KSVQGCMEOJGLCW-MRVPVSSYSA-N 1 0 216.248 0.270 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)[C@H]1CCCCO1 ZINC000245397816 644521923 /nfs/dbraw/zinc/52/19/23/644521923.db2.gz QMRGMCLSFBRNMI-HBNTYKKESA-N 1 0 226.320 0.799 10 0 BCAERO CC(=O)NCCNC(=O)[C@H]1CCCC[C@H]1C[NH3+] ZINC000089388085 644548031 /nfs/dbraw/zinc/54/80/31/644548031.db2.gz UGAPQTJRHDFGFK-QWRGUYRKSA-N 1 0 241.335 0.004 10 0 BCAERO COC(=O)CCNC(=O)[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000089395810 644548103 /nfs/dbraw/zinc/54/81/03/644548103.db2.gz WZNQQCUHYUQOOP-NXEZZACHSA-N 1 0 242.319 0.431 10 0 BCAERO COC(=O)[C@H](C)NC(=O)[C@H]1CCCC[C@H]1C[NH3+] ZINC000089389792 644549028 /nfs/dbraw/zinc/54/90/28/644549028.db2.gz LUQMDHHNMDPSMI-GUBZILKMSA-N 1 0 242.319 0.429 10 0 BCAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1CN1CCCC1=O ZINC000246882823 644610939 /nfs/dbraw/zinc/61/09/39/644610939.db2.gz BBIBDJGFCYGXIE-RYUDHWBXSA-N 1 0 237.347 0.735 10 0 BCAERO CCC[C@H]1CN(c2noc(C)n2)C[C@@H]1[NH3+] ZINC000091636421 644634921 /nfs/dbraw/zinc/63/49/21/644634921.db2.gz LRIXFSAZOPUASA-IUCAKERBSA-N 1 0 210.281 0.942 10 0 BCAERO COC(=O)[C@H]1C[N@H+](CCC(=O)N(C)C)C[C@H]1C ZINC000094996834 644734191 /nfs/dbraw/zinc/73/41/91/644734191.db2.gz FZUZATPZSJYFPT-ZJUUUORDSA-N 1 0 242.319 0.206 10 0 BCAERO COCCOCC[N@H+]1C[C@H](C(=O)OC)[C@H](C)C1 ZINC000094996854 644736563 /nfs/dbraw/zinc/73/65/63/644736563.db2.gz NBOJHVSVMUTZFD-MNOVXSKESA-N 1 0 245.319 0.390 10 0 BCAERO CN(C)C(=O)c1ccc(N2CCC[C@H]([NH3+])C2)nc1 ZINC000095012878 644737147 /nfs/dbraw/zinc/73/71/47/644737147.db2.gz CBHTXGIUGOIAPV-NSHDSACASA-N 1 0 248.330 0.711 10 0 BCAERO COC(=O)[C@H]1C[N@H+](CCn2cccn2)C[C@H]1C ZINC000094996746 644737338 /nfs/dbraw/zinc/73/73/38/644737338.db2.gz BTYRBGQYDAQEGT-MNOVXSKESA-N 1 0 237.303 0.624 10 0 BCAERO CC(C)N(C)S(=O)(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000250518029 644762219 /nfs/dbraw/zinc/76/22/19/644762219.db2.gz RJJSNFMCCSQFLP-VHSXEESVSA-N 1 0 249.380 0.288 10 0 BCAERO C[NH2+]C[C@@H]1CCCCN1C[C@H](O)COC(C)C ZINC000250572373 644764560 /nfs/dbraw/zinc/76/45/60/644764560.db2.gz AFQCDJYKHBOUOK-STQMWFEESA-N 1 0 244.379 0.846 10 0 BCAERO [NH3+][C@H](CC(=O)NC[C@@H]1CCC[C@H]1O)C1CC1 ZINC000250648407 644773881 /nfs/dbraw/zinc/77/38/81/644773881.db2.gz LECBYMZFFLEZDV-HBNTYKKESA-N 1 0 226.320 0.391 10 0 BCAERO [NH3+][C@@H]1CCC[C@H](C(=O)N[C@H]2CCCOC2)C1 ZINC000250658046 644775352 /nfs/dbraw/zinc/77/53/52/644775352.db2.gz ORSQWYMUQZOYOK-AXFHLTTASA-N 1 0 226.320 0.799 10 0 BCAERO CC(C)CC[C@H](C)[NH2+][C@@H]1CS(=O)(=O)C[C@H]1O ZINC000251374056 644802859 /nfs/dbraw/zinc/80/28/59/644802859.db2.gz GMEVMKIUOTXZOB-HBNTYKKESA-N 1 0 249.376 0.559 10 0 BCAERO C[C@H]([NH3+])CN(C)C(=O)[C@@H]1CC[C@H](C)O1 ZINC000251625483 644813673 /nfs/dbraw/zinc/81/36/73/644813673.db2.gz DOJAGSVZENAEJR-CIUDSAMLSA-N 1 0 200.282 0.360 10 0 BCAERO C[C@H](NC(=O)C[C@H]1C[NH2+]CCO1)[C@H]1CCCO1 ZINC000251665418 644815049 /nfs/dbraw/zinc/81/50/49/644815049.db2.gz UOOVSPYACBJVNR-GARJFASQSA-N 1 0 242.319 0.049 10 0 BCAERO COC(=O)/C(C)=C\CN1C[C@H](C)[C@H]([NH+](C)C)C1 ZINC000251790101 644822535 /nfs/dbraw/zinc/82/25/35/644822535.db2.gz NJJQLHLXBALJBR-RPGNDLBOSA-N 1 0 240.347 0.988 10 0 BCAERO C[C@@H]1CN(C(=O)[C@@H]2CCCC[C@H]2C[NH3+])CCO1 ZINC000251821711 644824622 /nfs/dbraw/zinc/82/46/22/644824622.db2.gz OZUANQXPFUPKCG-GRYCIOLGSA-N 1 0 240.347 0.999 10 0 BCAERO COC(=O)c1cncnc1N1CCC[C@H]([NH3+])C1 ZINC000304167941 644874206 /nfs/dbraw/zinc/87/42/06/644874206.db2.gz OZFKDDMRMIIFSM-QMMMGPOBSA-N 1 0 236.275 0.191 10 0 BCAERO [NH3+][C@@H](CC1CC1)C(=O)NC[C@H](O)C(F)(F)F ZINC000304389145 644900378 /nfs/dbraw/zinc/90/03/78/644900378.db2.gz SKTJARNRONLYKA-BQBZGAKWSA-N 1 0 240.225 0.153 10 0 BCAERO COC(=O)[C@@H]1CCCCN1C(=O)[C@H](C)[C@H](C)[NH3+] ZINC000252869405 644919601 /nfs/dbraw/zinc/91/96/01/644919601.db2.gz RWQFVDBDQOOWBP-UTLUCORTSA-N 1 0 242.319 0.524 10 0 BCAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1CC[S@](C)=O ZINC000252933036 644925731 /nfs/dbraw/zinc/92/57/31/644925731.db2.gz CNUDXOHUCAOYQI-WQGACYEGSA-N 1 0 244.404 0.924 10 0 BCAERO CCCNC(=O)[C@H](C)[NH2+]C(C)(C)CO ZINC000035115074 645936168 /nfs/dbraw/zinc/93/61/68/645936168.db2.gz GJLCUKAHGHWLIQ-QMMMGPOBSA-N 1 0 202.298 0.262 10 0 BCAERO C[C@@H]1C[C@@H](O)C[N@H+](CCO[C@@H]2CCOC2)C1 ZINC000724995521 711642244 /nfs/dbraw/zinc/64/22/44/711642244.db2.gz UQYZJSPOHKEMBA-IJLUTSLNSA-N 1 0 229.320 0.495 10 0 BCAERO C[NH2+]CCc1noc([C@H]2C[C@H](C)CO2)n1 ZINC000718429510 711657376 /nfs/dbraw/zinc/65/73/76/711657376.db2.gz UZLOJIZDBBXPSS-JGVFFNPUSA-N 1 0 211.265 0.929 10 0 BCAERO C[C@H]1CN(C)C(=O)CN1C[C@H]1CCC[NH2+]C1 ZINC000257767209 711727749 /nfs/dbraw/zinc/72/77/49/711727749.db2.gz AAJLEIKBENOTTM-QWRGUYRKSA-N 1 0 225.336 0.149 10 0 BCAERO COC[C@H](C[N@@H+]1C[C@@H](OC)C[C@H]1CO)C(C)C ZINC000721964342 711844252 /nfs/dbraw/zinc/84/42/52/711844252.db2.gz IRHCRENBVCVPSZ-AVGNSLFASA-N 1 0 245.363 0.987 10 0 BCAERO [NH3+]C1CC(C(=O)NCC[C@H]2CC2(F)F)C1 ZINC000701955219 712033305 /nfs/dbraw/zinc/03/33/05/712033305.db2.gz LRRBOXBAQKJEHP-WTIBDHCWSA-N 1 0 218.247 0.885 10 0 BCAERO CC[C@@](C)(O)C[NH2+][C@@H]1COCCC1(OC)OC ZINC000705011213 712121493 /nfs/dbraw/zinc/12/14/93/712121493.db2.gz MMMNMQFGPIHEOF-GHMZBOCLSA-N 1 0 247.335 0.515 10 0 BCAERO CC1(C)COC[C@@H]1[NH2+][C@H]1CCOC[C@H]1O ZINC000706775866 712155268 /nfs/dbraw/zinc/15/52/68/712155268.db2.gz VLCGENPLNPWKJU-AEJSXWLSSA-N 1 0 215.293 0.151 10 0 BCAERO C[C@H](C[NH2+]C(C)(C)CO)CS(C)(=O)=O ZINC000707266522 712167550 /nfs/dbraw/zinc/16/75/50/712167550.db2.gz YWKFVCSJJJOYLP-MRVPVSSYSA-N 1 0 223.338 0.028 10 0 BCAERO CCN(CC(=O)OC)C(=O)C[C@@H]([NH3+])C(C)C ZINC000707303206 712169078 /nfs/dbraw/zinc/16/90/78/712169078.db2.gz XCEYPCXBPJHMMA-SECBINFHSA-N 1 0 230.308 0.381 10 0 BCAERO C[C@@H]1CN(C(=O)c2cnsn2)C[C@H]1C[NH3+] ZINC000708827871 712200046 /nfs/dbraw/zinc/20/00/46/712200046.db2.gz JEMFKZBIPIXKGY-RNFRBKRXSA-N 1 0 226.305 0.205 10 0 BCAERO COC1(OC)CC[C@@H]1[NH2+][C@H]1CCC(=O)N[C@@H]1C ZINC000710965470 712269750 /nfs/dbraw/zinc/26/97/50/712269750.db2.gz IWBOFOBOUTWKLD-UTLUCORTSA-N 1 0 242.319 0.395 10 0 BCAERO C[C@@H]1COC[C@@H](C)N1C(=O)[C@H]1C[NH2+]CC1(C)C ZINC000711378327 712296064 /nfs/dbraw/zinc/29/60/64/712296064.db2.gz UYEYYSFBLLFCKT-GMTAPVOTSA-N 1 0 240.347 0.868 10 0 BCAERO CS[C@H](C)C(=O)N1C[C@@H](F)C[C@H]1C[NH3+] ZINC000378668615 712356797 /nfs/dbraw/zinc/35/67/97/712356797.db2.gz IGAAXPGAOXCHQT-CSMHCCOUSA-N 1 0 220.313 0.636 10 0 BCAERO CC(C)C1([NH2+][C@H]2CCC(=O)NC2=O)CC1 ZINC000378860989 712364180 /nfs/dbraw/zinc/36/41/80/712364180.db2.gz QASHMNCZZWFYDR-QMMMGPOBSA-N 1 0 210.277 0.570 10 0 BCAERO CCCN(CC)C(=O)[C@H]1CO[C@@H](C[NH3+])C1 ZINC000713871162 712473238 /nfs/dbraw/zinc/47/32/38/712473238.db2.gz KFGNVQQPJKRNHA-NXEZZACHSA-N 1 0 214.309 0.609 10 0 BCAERO CCC(C)(C)NC(=O)[C@@H]1CO[C@H](C[NH3+])C1 ZINC000713874612 712473239 /nfs/dbraw/zinc/47/32/39/712473239.db2.gz UADSLHQZXIMIKH-IUCAKERBSA-N 1 0 214.309 0.655 10 0 BCAERO C[C@@H]1C[C@H](C)CN(C(=O)[C@@H]2CO[C@@H](C[NH3+])C2)C1 ZINC000713923630 712473357 /nfs/dbraw/zinc/47/33/57/712473357.db2.gz DPSZUSMUMZUIJU-WHOHXGKFSA-N 1 0 240.347 0.855 10 0 BCAERO COCC1CC(NC(=O)CC[C@@H](C)[NH3+])C1 ZINC000713932003 712473887 /nfs/dbraw/zinc/47/38/87/712473887.db2.gz WQCZCVQEYWKAAY-XNWIYYODSA-N 1 0 214.309 0.655 10 0 BCAERO COCC1CC(NC(=O)[C@H]2CCC[C@H]2C[NH3+])C1 ZINC000713946553 712474311 /nfs/dbraw/zinc/47/43/11/712474311.db2.gz UBOYEEGWAVXPQK-ADPBJBESSA-N 1 0 240.347 0.903 10 0 BCAERO CC1(C)CCC[C@H](C[N@@H+]2C[C@@H](O)C[C@@H]2CO)O1 ZINC000714338019 712482659 /nfs/dbraw/zinc/48/26/59/712482659.db2.gz JMMZVLKCVWGRIJ-GRYCIOLGSA-N 1 0 243.347 0.762 10 0 BCAERO CCn1cc(CN[C@@H]2CCC[N@H+](CC)C2)nn1 ZINC000714928216 712500500 /nfs/dbraw/zinc/50/05/00/712500500.db2.gz NUPQWPSLKQVLKT-LLVKDONJSA-N 1 0 237.351 0.872 10 0 BCAERO Cc1nc(CC(=O)NCC2CC([NH3+])C2)cs1 ZINC000715073832 712506015 /nfs/dbraw/zinc/50/60/15/712506015.db2.gz XIKRIMNQHPTYFI-UHFFFAOYSA-N 1 0 239.344 0.848 10 0 BCAERO CN(C)c1nccc(NC[C@H]2C[C@H]([NH3+])C2)n1 ZINC000715073638 712506169 /nfs/dbraw/zinc/50/61/69/712506169.db2.gz SRLITYJFAVWUML-KYZUINATSA-N 1 0 221.308 0.692 10 0 BCAERO CC1(C)OC[C@H](C[NH2+]C2CC(CO)C2)O1 ZINC000715141816 712511833 /nfs/dbraw/zinc/51/18/33/712511833.db2.gz PDLGYZXMBFTQMD-RTBKNWGFSA-N 1 0 215.293 0.498 10 0 BCAERO C[C@H]1OCC[C@H]1NC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000715171649 712513211 /nfs/dbraw/zinc/51/32/11/712513211.db2.gz WLJSGOPYQBNOBT-CWKFCGSDSA-N 1 0 234.246 0.120 10 0 BCAERO [NH3+][C@H]1C[C@@H](CNc2cn[nH]c(=O)c2Cl)C1 ZINC000715122915 712510948 /nfs/dbraw/zinc/51/09/48/712510948.db2.gz NSZJUXCNKMNRAH-OLQVQODUSA-N 1 0 228.683 0.985 10 0 BCAERO CCN(CC)C(=O)[C@]12C[NH2+]C[C@H]1COCC2 ZINC000715431317 712518913 /nfs/dbraw/zinc/51/89/13/712518913.db2.gz GHYUAXWWBWLZNW-CMPLNLGQSA-N 1 0 226.320 0.481 10 0 BCAERO COC[C@H]([NH3+])C(=O)NCC[C@H]1CCCS1 ZINC000716054118 712548763 /nfs/dbraw/zinc/54/87/63/712548763.db2.gz NMOBKMBSJASYNJ-BDAKNGLRSA-N 1 0 232.349 0.362 10 0 BCAERO CC1(C)COC[C@H]1[NH2+]C1CC(C(N)=O)C1 ZINC000716707335 712570437 /nfs/dbraw/zinc/57/04/37/712570437.db2.gz SHACUJMQRMKREZ-AMDVSUOASA-N 1 0 212.293 0.265 10 0 BCAERO NC(=O)C1CC([NH2+]C[C@@H]2CCCOC2)C1 ZINC000716741346 712571855 /nfs/dbraw/zinc/57/18/55/712571855.db2.gz PLKHLPDZVAALFW-IDKOKCKLSA-N 1 0 212.293 0.267 10 0 BCAERO CC1(C)C[C@H]([NH2+]C2CC(C(N)=O)C2)CCO1 ZINC000716769117 712572817 /nfs/dbraw/zinc/57/28/17/712572817.db2.gz GUWYGWWHNMQOCX-HWOCKDDLSA-N 1 0 226.320 0.798 10 0 BCAERO C[C@]1(C[NH3+])CCN(C(=O)n2ccnc2)C1 ZINC000379844479 712616499 /nfs/dbraw/zinc/61/64/99/712616499.db2.gz HMNCBMJQGXDROZ-SNVBAGLBSA-N 1 0 208.265 0.522 10 0 BCAERO C[C@H](NC(=O)C[NH2+]CC1CC1)[C@H]1CCCO1 ZINC000037478331 712648202 /nfs/dbraw/zinc/64/82/02/712648202.db2.gz DXUFQMWTVCWNQC-GXSJLCMTSA-N 1 0 226.320 0.670 10 0 BCAERO CN(C(=O)COC1CC1)[C@@H](C[NH3+])C(F)(F)F ZINC000717663391 712663417 /nfs/dbraw/zinc/66/34/17/712663417.db2.gz FGOLXJAPVHSRTR-ZETCQYMHSA-N 1 0 240.225 0.513 10 0 BCAERO [NH3+]C[C@@H](NC(=O)COC1CC1)C(F)(F)F ZINC000717679041 712664374 /nfs/dbraw/zinc/66/43/74/712664374.db2.gz TVLDLKYXXRFXMV-ZCFIWIBFSA-N 1 0 226.198 0.171 10 0 BCAERO CC(C)(C)[C@@H](O)C[NH2+]C1CC(CC(N)=O)C1 ZINC000718552960 712769060 /nfs/dbraw/zinc/76/90/60/712769060.db2.gz ORUMYBMRQRRMEN-RTBKNWGFSA-N 1 0 228.336 0.637 10 0 BCAERO CCCCOC[C@H](O)C[NH2+][C@H]1CCN(C)[C@H]1C ZINC000719608626 712816262 /nfs/dbraw/zinc/81/62/62/712816262.db2.gz GGXLZAYAXSCUOP-XQQFMLRXSA-N 1 0 244.379 0.846 10 0 BCAERO C[C@H](C(=O)N1CCC[C@H]1C[NH3+])[C@@H]1CCCO1 ZINC000720538182 712849893 /nfs/dbraw/zinc/84/98/93/712849893.db2.gz CKXIDGCQDSYGIO-DCAQKATOSA-N 1 0 226.320 0.751 10 0 BCAERO [NH3+][C@@H]1CN(c2ncccn2)C[C@H]1C(F)(F)F ZINC000720895818 712876937 /nfs/dbraw/zinc/87/69/37/712876937.db2.gz DHFQSYOMJSJWDE-RNFRBKRXSA-N 1 0 232.209 0.802 10 0 BCAERO CO[C@H]1C[C@@H](C[NH2+][C@@H]2CCC(=O)N[C@@H]2C)C1 ZINC000721898920 710690269 /nfs/dbraw/zinc/69/02/69/710690269.db2.gz PQMRKVVKZVOFKL-CHWFTXMASA-N 1 0 226.320 0.668 10 0 BCAERO Cc1nnc(N2C3CCC2(C[NH3+])CC3)nc1C ZINC000722987717 710723608 /nfs/dbraw/zinc/72/36/08/710723608.db2.gz UFDIICGUJGSPDJ-UHFFFAOYSA-N 1 0 233.319 0.949 10 0 BCAERO Cn1ncc(C[NH2+]C[C@H]2CCCC[C@H]2O)n1 ZINC000381109661 710602532 /nfs/dbraw/zinc/60/25/32/710602532.db2.gz ZONNOTMPNRFYIC-MWLCHTKSSA-N 1 0 224.308 0.456 10 0 BCAERO C[C@@H]1C[N@H+](C[C@@H]2C[C@@H]3COC[C@@H]3O2)C[C@H]1CO ZINC000724621744 710743956 /nfs/dbraw/zinc/74/39/56/710743956.db2.gz XJHQKHULGFOXDA-BNDIWNMDSA-N 1 0 241.331 0.351 10 0 BCAERO Cc1ccc(C[NH2+]C[C@H]2CC(=O)N(C)C2)cn1 ZINC000722745359 711470160 /nfs/dbraw/zinc/47/01/60/711470160.db2.gz APCYJGNNNRLOBQ-GFCCVEGCSA-N 1 0 233.315 0.958 10 0 BCAERO CN1C[C@@H](C[NH2+][C@@H]2COCC2(C)C)CC1=O ZINC000722754827 711470175 /nfs/dbraw/zinc/47/01/75/711470175.db2.gz WGZVARFHKPEUOE-NXEZZACHSA-N 1 0 226.320 0.479 10 0 BCAERO CN(C[C@H]1CCCO1)C(=O)[C@@H]1C[C@@H]1C[NH3+] ZINC000715225821 711477963 /nfs/dbraw/zinc/47/79/63/711477963.db2.gz HNUQBNMYYAHRCC-OPRDCNLKSA-N 1 0 212.293 0.219 10 0 BCAERO C[C@@H](NC(=O)[C@@H]1C[C@@H]1C[NH3+])[C@@H]1CCCO1 ZINC000715229615 711477978 /nfs/dbraw/zinc/47/79/78/711477978.db2.gz XXCIEIYEPSAKOF-KYXWUPHJSA-N 1 0 212.293 0.265 10 0 BCAERO CC[C@@H]1C[C@H]1C[N@@H+]1CCC[C@](O)(C(N)=O)C1 ZINC000723121715 711505942 /nfs/dbraw/zinc/50/59/42/711505942.db2.gz AQPXKZFSYYNBFB-JFGNBEQYSA-N 1 0 226.320 0.345 10 0 BCAERO C[NH2+][C@H](C)CNC(=O)c1cccn2nccc12 ZINC000723491752 711513158 /nfs/dbraw/zinc/51/31/58/711513158.db2.gz QJFQPHGOWMDMIT-SECBINFHSA-N 1 0 232.287 0.672 10 0 BCAERO Cc1cc(NC[C@@H]2CC(=O)N(C)C2)nc(N)[nH+]1 ZINC000723572077 711519190 /nfs/dbraw/zinc/51/91/90/711519190.db2.gz XHWOSVFPGRCMCD-QMMMGPOBSA-N 1 0 235.291 0.257 10 0 BCAERO C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2C[NH3+])C[C@@H](C)O1 ZINC000715215643 711539716 /nfs/dbraw/zinc/53/97/16/711539716.db2.gz BMEKQWWWUGSPOI-ZYUZMQFOSA-N 1 0 212.293 0.217 10 0 BCAERO COc1ccnc(N2C[C@@H](C)[C@H](CC[NH3+])C2)n1 ZINC000723894152 711544044 /nfs/dbraw/zinc/54/40/44/711544044.db2.gz DPALISLWDAXQKB-NXEZZACHSA-N 1 0 236.319 0.906 10 0 BCAERO [NH3+]C[C@@H]1CCCN1C[C@@H]1C[C@H]2COC[C@H]2O1 ZINC000724558212 711590103 /nfs/dbraw/zinc/59/01/03/711590103.db2.gz NZONDGCGNUWXGM-FIQHERPVSA-N 1 0 226.320 0.213 10 0 BCAERO Cc1c(C[NH2+]CCO[C@H]2CCOC2)cnn1C ZINC000724925066 711629206 /nfs/dbraw/zinc/62/92/06/711629206.db2.gz IZPRXQJWLYLEOU-LBPRGKRZSA-N 1 0 239.319 0.624 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)NCCOCC1CC1 ZINC000227424919 711729550 /nfs/dbraw/zinc/72/95/50/711729550.db2.gz OOWCXJMLNJQAPR-RYUDHWBXSA-N 1 0 240.347 0.904 10 0 BCAERO C(N[C@H]1CC[NH2+]C1)[C@@H]1CC[C@@H](C2CC2)O1 ZINC000722311411 711734353 /nfs/dbraw/zinc/73/43/53/711734353.db2.gz DAMZCVYKMYBAJU-SRVKXCTJSA-N 1 0 210.321 0.896 10 0 BCAERO Cc1[nH+]ccc(N[C@@H]2CNOC2)c1Cl ZINC000722489717 711759671 /nfs/dbraw/zinc/75/96/71/711759671.db2.gz LMHKACYSQZSPFC-SSDOTTSWSA-N 1 0 213.668 0.781 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1CC(=O)N[C@H]1CCC[C@@H](O)C1 ZINC000722510253 711760264 /nfs/dbraw/zinc/76/02/64/711760264.db2.gz DEXMQMFADLUBHU-WISYIIOYSA-N 1 0 240.347 0.652 10 0 BCAERO O=C1NC[C@H](C[N@H+]2CCCCC[C@H]2CO)O1 ZINC000253169997 711764364 /nfs/dbraw/zinc/76/43/64/711764364.db2.gz FIKRLRKPCGIQSL-VHSXEESVSA-N 1 0 228.292 0.332 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1Nc1ccc2nccnc2n1 ZINC000721866684 711792395 /nfs/dbraw/zinc/79/23/95/711792395.db2.gz QLEZLZJZNOFSLO-PSASIEDQSA-N 1 0 229.287 0.418 10 0 BCAERO [NH3+][C@@H]1CC[C@H](C(=O)NC[C@@H]2CCCC[C@@H]2O)C1 ZINC000227804738 711832943 /nfs/dbraw/zinc/83/29/43/711832943.db2.gz NNYDJGHWKHKYKG-YFKTTZPYSA-N 1 0 240.347 0.781 10 0 BCAERO C[N@@H+]1CC[C@@H](NC(=O)N2CCCCC2)C1 ZINC000060313799 711833301 /nfs/dbraw/zinc/83/33/01/711833301.db2.gz KMEPVAXZUODJHE-SNVBAGLBSA-N 1 0 211.309 0.886 10 0 BCAERO O[C@@H]1COCC[C@H]1[NH2+]CCc1ccccc1 ZINC000706766963 711925378 /nfs/dbraw/zinc/92/53/78/711925378.db2.gz YVOMRQOBTKXGBP-CHWSQXEVSA-N 1 0 221.300 0.969 10 0 BCAERO COc1cc(N[C@@H]2C[NH2+]CC2(C)C)ncn1 ZINC000721936484 711940541 /nfs/dbraw/zinc/94/05/41/711940541.db2.gz ZXZIQTHSVLOYBN-MRVPVSSYSA-N 1 0 222.292 0.895 10 0 BCAERO Cc1cccc(C)c1NC(=O)[C@@H]([NH3+])CO ZINC000198559510 711946730 /nfs/dbraw/zinc/94/67/30/711946730.db2.gz ZPGTXJOHMYSUGH-VIFPVBQESA-N 1 0 208.261 0.562 10 0 BCAERO c1ccc(-c2noc([C@H]3C[NH2+]CCOC3)n2)nc1 ZINC000700451174 711995029 /nfs/dbraw/zinc/99/50/29/711995029.db2.gz JLNMUWQGHSZNBN-VIFPVBQESA-N 1 0 246.270 0.835 10 0 BCAERO C[C@@H](C[NH2+][C@@H]1CS(=O)(=O)C[C@H]1O)C(C)(C)C ZINC000700603790 712001283 /nfs/dbraw/zinc/00/12/83/712001283.db2.gz PIKDZBICXRTFJZ-IVZWLZJFSA-N 1 0 249.376 0.416 10 0 BCAERO CC(C)([NH3+])CNC(=O)[C@@H]1Cc2ccccc2CO1 ZINC000700650631 712001678 /nfs/dbraw/zinc/00/16/78/712001678.db2.gz DTTNPMWOQMNRKI-LBPRGKRZSA-N 1 0 248.326 0.981 10 0 BCAERO O=C(N[C@H]1CC[NH2+]C1)[C@@H]1Cc2ccccc2CO1 ZINC000700649449 712001788 /nfs/dbraw/zinc/00/17/88/712001788.db2.gz BVUWYOQDUBFGSQ-STQMWFEESA-N 1 0 246.310 0.606 10 0 BCAERO O=C(N[C@@H]1CC[NH2+]C1)[C@H]1Cc2ccccc2CO1 ZINC000700649444 712002034 /nfs/dbraw/zinc/00/20/34/712002034.db2.gz BVUWYOQDUBFGSQ-CHWSQXEVSA-N 1 0 246.310 0.606 10 0 BCAERO C[C@H]([NH3+])CN(C)C(=O)[C@@H]1Cc2ccccc2CO1 ZINC000700658191 712002133 /nfs/dbraw/zinc/00/21/33/712002133.db2.gz XQPLBLGADRWLAF-GWCFXTLKSA-N 1 0 248.326 0.934 10 0 BCAERO C[C@H]([NH3+])[C@H](C)NC(=O)[C@@H]1Cc2ccccc2CO1 ZINC000700667788 712002148 /nfs/dbraw/zinc/00/21/48/712002148.db2.gz YRHSVNQAXZJEJZ-KWBADKCTSA-N 1 0 248.326 0.980 10 0 BCAERO C[C@H]([NH3+])[C@H](C)NC(=O)[C@H]1Cc2ccccc2CO1 ZINC000700679622 712003956 /nfs/dbraw/zinc/00/39/56/712003956.db2.gz YRHSVNQAXZJEJZ-OUJBWJOFSA-N 1 0 248.326 0.980 10 0 BCAERO Cc1nc(CC(=O)N2CC[C@H]([NH3+])[C@H]2C)cs1 ZINC000700777100 712006462 /nfs/dbraw/zinc/00/64/62/712006462.db2.gz VOCLQVSZKSQIHY-XCBNKYQSSA-N 1 0 239.344 0.942 10 0 BCAERO C[NH2+][C@@H](C)CNC(=O)/C=C\c1cccnc1 ZINC000701046395 712012884 /nfs/dbraw/zinc/01/28/84/712012884.db2.gz XXMURXPRZHSPLZ-OMMCCPJFSA-N 1 0 219.288 0.819 10 0 BCAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)c1cccc(F)n1 ZINC000701077073 712014286 /nfs/dbraw/zinc/01/42/86/712014286.db2.gz JVXOALPKKVDDSA-SFYZADRCSA-N 1 0 223.251 0.782 10 0 BCAERO Cc1cc(OCC(=O)N2CCC[C@H]([NH3+])C2)no1 ZINC000701387044 712022035 /nfs/dbraw/zinc/02/20/35/712022035.db2.gz ORLSTCDABSPIJN-VIFPVBQESA-N 1 0 239.275 0.312 10 0 BCAERO O=C(CC[C@H]1CCC[NH2+]1)NCc1ncccn1 ZINC000702342049 712045734 /nfs/dbraw/zinc/04/57/34/712045734.db2.gz KCRBQIDCWNSDKM-SNVBAGLBSA-N 1 0 234.303 0.625 10 0 BCAERO C[C@H]1COC[C@H]1[NH2+]CC1(O)CCSCC1 ZINC000705247796 712126441 /nfs/dbraw/zinc/12/64/41/712126441.db2.gz UMNNMPPQHGHSOL-VHSXEESVSA-N 1 0 231.361 0.869 10 0 BCAERO C[NH2+]CCOCCNc1cncc(Cl)n1 ZINC000705881476 712137657 /nfs/dbraw/zinc/13/76/57/712137657.db2.gz YTSALIDLXMVXTR-UHFFFAOYSA-N 1 0 230.699 0.778 10 0 BCAERO Cn1nc(CN2CCC[C@H]2C[NH3+])cc1Cl ZINC000706125016 712140441 /nfs/dbraw/zinc/14/04/41/712140441.db2.gz RLNQCSZUNXIHJU-VIFPVBQESA-N 1 0 228.727 0.997 10 0 BCAERO CO[C@@H]1C[C@H]([NH2+][C@@H]2CCOC[C@@H]2O)C12CCC2 ZINC000706755341 712153931 /nfs/dbraw/zinc/15/39/31/712153931.db2.gz UUAVNGPLSFVMFS-NOOOWODRSA-N 1 0 241.331 0.683 10 0 BCAERO O[C@H]1COCC[C@H]1[NH2+]Cc1cnn2ccccc12 ZINC000706777849 712155136 /nfs/dbraw/zinc/15/51/36/712155136.db2.gz PZLPDSBPGNATHH-YPMHNXCESA-N 1 0 247.298 0.574 10 0 BCAERO Oc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2O)cc1F ZINC000706772972 712155158 /nfs/dbraw/zinc/15/51/58/712155158.db2.gz SVMPJNZENCMSBY-PWSUYJOCSA-N 1 0 241.262 0.771 10 0 BCAERO O[C@H](C[NH2+][C@H]1CCOC[C@H]1O)c1ccccc1 ZINC000706968452 712160197 /nfs/dbraw/zinc/16/01/97/712160197.db2.gz JUKJHIJTAWDMKT-YNEHKIRRSA-N 1 0 237.299 0.459 10 0 BCAERO CC(C)(C)[NH2+]CCC(=O)N[C@H]1CCOC[C@@H]1O ZINC000706990584 712163914 /nfs/dbraw/zinc/16/39/14/712163914.db2.gz BMONXAQNKLFQFD-UWVGGRQHSA-N 1 0 244.335 0.031 10 0 BCAERO CC[NH2+]CC(=O)N1CCC[C@H](C(=O)OC)C1 ZINC000707346058 712168380 /nfs/dbraw/zinc/16/83/80/712168380.db2.gz RIFPELIMWNKWOO-VIFPVBQESA-N 1 0 228.292 0.008 10 0 BCAERO CC(C)CC[C@H]([NH3+])C(=O)N1CCOC[C@H]1C ZINC000707720896 712176905 /nfs/dbraw/zinc/17/69/05/712176905.db2.gz DNXVDICXANODSB-MNOVXSKESA-N 1 0 228.336 0.997 10 0 BCAERO CN1CCO[C@H](C[N@H+](C)CCCCCCO)C1 ZINC000707856502 712180456 /nfs/dbraw/zinc/18/04/56/712180456.db2.gz SVCGAGPTRHNVMQ-CYBMUJFWSA-N 1 0 244.379 0.802 10 0 BCAERO C[C@@H]1C[N@H+](C[C@H]2CCCS2(=O)=O)C[C@H]1CO ZINC000708686411 712196862 /nfs/dbraw/zinc/19/68/62/712196862.db2.gz JNPAHTJHOPFPIS-OUAUKWLOSA-N 1 0 247.360 0.124 10 0 BCAERO C[C@@H]1C[N@H+](CCOC2CCOCC2)C[C@H]1CO ZINC000708698068 712197735 /nfs/dbraw/zinc/19/77/35/712197735.db2.gz JVBACEITIBCWIQ-NEPJUHHUSA-N 1 0 243.347 0.742 10 0 BCAERO C[C@@H]1CN(C(=O)C(C)(C)F)C[C@H]1C[NH3+] ZINC000708825580 712199888 /nfs/dbraw/zinc/19/98/88/712199888.db2.gz KKIYSWSQBJBSEM-HTQZYQBOSA-N 1 0 202.273 0.788 10 0 BCAERO C[C@H]1CN(Cc2cnns2)C[C@@H]1C[NH3+] ZINC000708825772 712199868 /nfs/dbraw/zinc/19/98/68/712199868.db2.gz NDLDRQDWMUJXDO-YUMQZZPRSA-N 1 0 212.322 0.565 10 0 BCAERO C[C@H]1CN(C(=O)c2ccc[nH]c2=O)C[C@@H]1C[NH3+] ZINC000708848028 712200605 /nfs/dbraw/zinc/20/06/05/712200605.db2.gz HPCHHFIZJJXNSX-IUCAKERBSA-N 1 0 235.287 0.454 10 0 BCAERO CC1(C)C[NH2+][C@H]1C(=O)NC[C@@H](O)C(F)(F)F ZINC000710085463 712244870 /nfs/dbraw/zinc/24/48/70/712244870.db2.gz OUCAOFSOXWFGPB-RITPCOANSA-N 1 0 240.225 0.024 10 0 BCAERO [NH3+]Cc1nc2c(s1)CCN(c1cnccn1)C2 ZINC000710209479 712248221 /nfs/dbraw/zinc/24/82/21/712248221.db2.gz QIMADOHQQPAMCL-UHFFFAOYSA-N 1 0 247.327 0.955 10 0 BCAERO COC[C@@]1(C(=O)N[C@H](C)C(C)C)C[NH2+]CCO1 ZINC000710691506 712254371 /nfs/dbraw/zinc/25/43/71/712254371.db2.gz RDDRTORQQMRRAW-ZYHUDNBSSA-N 1 0 244.335 0.152 10 0 BCAERO CCN1CCO[C@H](C[NH2+][C@H]2COC[C@H]2C)C1 ZINC000710853334 712259302 /nfs/dbraw/zinc/25/93/02/712259302.db2.gz TYQJDAWXHAIMID-UTUOFQBUSA-N 1 0 228.336 0.332 10 0 BCAERO CCN1CCO[C@H](C[NH2+][C@@H]2COC[C@H]2C)C1 ZINC000710853328 712259310 /nfs/dbraw/zinc/25/93/10/712259310.db2.gz TYQJDAWXHAIMID-IJLUTSLNSA-N 1 0 228.336 0.332 10 0 BCAERO [NH3+][C@H]1CC[C@H](C(=O)N[C@H]2CCC[C@@H](O)C2)CC1 ZINC000710879406 712260930 /nfs/dbraw/zinc/26/09/30/712260930.db2.gz RLNHAKBVNSDQDO-FIQHERPVSA-N 1 0 240.347 0.924 10 0 BCAERO CC1(C)C[NH2+]C[C@@H]1C(=O)NC[C@@H]1CCC[C@@H]1O ZINC000711346000 712295064 /nfs/dbraw/zinc/29/50/64/712295064.db2.gz CHBXHRZQCOBABG-AXFHLTTASA-N 1 0 240.347 0.509 10 0 BCAERO CC(C)OCC(=O)N1C[C@@H](F)C[C@H]1C[NH3+] ZINC000378677901 712357390 /nfs/dbraw/zinc/35/73/90/712357390.db2.gz RLXDILTYVRNBCG-IUCAKERBSA-N 1 0 218.272 0.309 10 0 BCAERO CCCCOC[C@H](O)CN(C)C[C@@H](C)[NH3+] ZINC000379775643 712398870 /nfs/dbraw/zinc/39/88/70/712398870.db2.gz CTUBVEGKVSCYTR-GHMZBOCLSA-N 1 0 218.341 0.443 10 0 BCAERO COc1c(C[NH2+]C[C@H]2CCN2C)c(C)nn1C ZINC000712593130 712435214 /nfs/dbraw/zinc/43/52/14/712435214.db2.gz CAMIRVWSYLNPKH-SNVBAGLBSA-N 1 0 238.335 0.531 10 0 BCAERO Cc1ccc([C@@H](C)[NH2+]CCn2cnnn2)o1 ZINC000712600098 712436963 /nfs/dbraw/zinc/43/69/63/712436963.db2.gz VZPBMQMGLRJNLU-SECBINFHSA-N 1 0 221.264 0.925 10 0 BCAERO CC(C)[C@@H](C)[NH+]1CCC(C(=O)NCCO)CC1 ZINC000712650352 712439927 /nfs/dbraw/zinc/43/99/27/712439927.db2.gz HROUIZJMGXHDHV-LLVKDONJSA-N 1 0 242.363 0.851 10 0 BCAERO CCN1CC[C@H]1C[NH2+]Cc1cnn(C)c1C ZINC000712550769 712444548 /nfs/dbraw/zinc/44/45/48/712444548.db2.gz WLHUBCQJBARBHD-LBPRGKRZSA-N 1 0 222.336 0.912 10 0 BCAERO C[C@@H](NC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2)[C@H]1CCCO1 ZINC000713238118 712455780 /nfs/dbraw/zinc/45/57/80/712455780.db2.gz AYBOROJTZVQZBJ-HMUNZLOLSA-N 1 0 238.331 0.798 10 0 BCAERO [NH3+]C[C@@H]1C[C@@H](C(=O)N2CCc3ccccc32)CO1 ZINC000713765313 712471663 /nfs/dbraw/zinc/47/16/63/712471663.db2.gz BMIPMZSUXREZIG-NEPJUHHUSA-N 1 0 246.310 0.940 10 0 BCAERO Cc1cccc(CNC(=O)[C@@H]2CO[C@H](C[NH3+])C2)c1 ZINC000713765786 712471788 /nfs/dbraw/zinc/47/17/88/712471788.db2.gz COIMWQJTEYSMIL-STQMWFEESA-N 1 0 248.326 0.975 10 0 BCAERO [NH3+]C[C@H]1C[C@H](C(=O)N2CCc3ccccc32)CO1 ZINC000713765316 712471801 /nfs/dbraw/zinc/47/18/01/712471801.db2.gz BMIPMZSUXREZIG-NWDGAFQWSA-N 1 0 246.310 0.940 10 0 BCAERO Cc1cnc(NC(=O)[C@H]2CO[C@H](C[NH3+])C2)s1 ZINC000713766557 712471876 /nfs/dbraw/zinc/47/18/76/712471876.db2.gz JAMCLATVCZJYHO-SFYZADRCSA-N 1 0 241.316 0.754 10 0 BCAERO Cc1cnc(NC(=O)[C@@H]2CO[C@H](C[NH3+])C2)s1 ZINC000713766558 712472007 /nfs/dbraw/zinc/47/20/07/712472007.db2.gz JAMCLATVCZJYHO-YUMQZZPRSA-N 1 0 241.316 0.754 10 0 BCAERO Cc1ccccc1CNC(=O)[C@H]1CO[C@H](C[NH3+])C1 ZINC000713777215 712472302 /nfs/dbraw/zinc/47/23/02/712472302.db2.gz YTVYURICIIQPSH-OLZOCXBDSA-N 1 0 248.326 0.975 10 0 BCAERO [NH3+]C[C@@H]1C[C@@H](C(=O)NCC[C@@H]2CCCO2)CO1 ZINC000713787347 712472452 /nfs/dbraw/zinc/47/24/52/712472452.db2.gz ZNWUVTSLPPQVJW-VWYCJHECSA-N 1 0 242.319 0.036 10 0 BCAERO [NH3+]C[C@H]1C[C@@H](C(=O)NC2CCCC2)CO1 ZINC000713876513 712472458 /nfs/dbraw/zinc/47/24/58/712472458.db2.gz YQSJVONHBWZDTE-PSASIEDQSA-N 1 0 212.293 0.409 10 0 BCAERO CCC(CC)NC(=O)[C@H]1CO[C@H](C[NH3+])C1 ZINC000713884735 712472469 /nfs/dbraw/zinc/47/24/69/712472469.db2.gz XBOPEHNMFZYZNG-SCZZXKLOSA-N 1 0 214.309 0.655 10 0 BCAERO [NH3+]C[C@H]1C[C@H](C(=O)NCCc2ccccc2)CO1 ZINC000713783668 712472474 /nfs/dbraw/zinc/47/24/74/712472474.db2.gz RJKVSJKTGLMENX-QWHCGFSZSA-N 1 0 248.326 0.709 10 0 BCAERO COCC1CC(NC(=O)[C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000713934547 712473598 /nfs/dbraw/zinc/47/35/98/712473598.db2.gz FKHSKWKWEYNOAT-LXKPXOPUSA-N 1 0 226.320 0.655 10 0 BCAERO COCC1CC(NC(=O)[C@]2(C)CCC[NH2+]C2)C1 ZINC000713943754 712474209 /nfs/dbraw/zinc/47/42/09/712474209.db2.gz BRQLWSUOFSESIE-GCZXYKMCSA-N 1 0 240.347 0.917 10 0 BCAERO CCS(=O)(=O)CC[NH2+]C1CC(COC)C1 ZINC000713972070 712475434 /nfs/dbraw/zinc/47/54/34/712475434.db2.gz FEAOOMFIBCFAMB-UHFFFAOYSA-N 1 0 235.349 0.436 10 0 BCAERO CCOC[C@H](O)C[NH2+]C1CC(COC)C1 ZINC000713972902 712475692 /nfs/dbraw/zinc/47/56/92/712475692.db2.gz QJTRMFQLQLZOQG-VQXHTEKXSA-N 1 0 217.309 0.398 10 0 BCAERO COCC1CC(NC(=O)C(C)(C)C[NH3+])C1 ZINC000713996542 712477019 /nfs/dbraw/zinc/47/70/19/712477019.db2.gz VUZIDUFZCLEXEI-UHFFFAOYSA-N 1 0 214.309 0.513 10 0 BCAERO CC1(c2noc([C@H]3CO[C@H](C[NH3+])C3)n2)CC1 ZINC000714073936 712477907 /nfs/dbraw/zinc/47/79/07/712477907.db2.gz BBBGNKHUQXMKRI-SFYZADRCSA-N 1 0 223.276 0.952 10 0 BCAERO [NH3+]C[C@@H]1C[C@@H](c2nc(-c3ccccn3)no2)CO1 ZINC000714062226 712478052 /nfs/dbraw/zinc/47/80/52/712478052.db2.gz DNARYXURLQIRHH-BDAKNGLRSA-N 1 0 246.270 0.963 10 0 BCAERO CC1(c2noc([C@@H]3CO[C@H](C[NH3+])C3)n2)CC1 ZINC000714073939 712478069 /nfs/dbraw/zinc/47/80/69/712478069.db2.gz BBBGNKHUQXMKRI-YUMQZZPRSA-N 1 0 223.276 0.952 10 0 BCAERO CCn1cc(CN(C)[C@@H]2CCC[NH2+]CC2)nn1 ZINC000714436993 712486698 /nfs/dbraw/zinc/48/66/98/712486698.db2.gz XYXIJMAJHGCAME-GFCCVEGCSA-N 1 0 237.351 0.872 10 0 BCAERO CCCn1cc(C[NH2+]CC2CC(O)C2)nn1 ZINC000714476149 712491714 /nfs/dbraw/zinc/49/17/14/712491714.db2.gz JSLWZRGKCBWKLC-UHFFFAOYSA-N 1 0 224.308 0.549 10 0 BCAERO CCn1cc(C[NH2+][C@@H]2CCC[C@H](O)C2)nn1 ZINC000714882170 712498769 /nfs/dbraw/zinc/49/87/69/712498769.db2.gz SVRNQIGRVNZADO-KOLCDFICSA-N 1 0 224.308 0.691 10 0 BCAERO CCn1cc(C[NH2+][C@@H]2CCC[C@@H](O)C2)nn1 ZINC000714882172 712499054 /nfs/dbraw/zinc/49/90/54/712499054.db2.gz SVRNQIGRVNZADO-MWLCHTKSSA-N 1 0 224.308 0.691 10 0 BCAERO C[C@H]1CN(S(=O)(=O)CCCC2CC2)C[C@H]1[NH3+] ZINC000715046968 712504505 /nfs/dbraw/zinc/50/45/05/712504505.db2.gz BEWLNJSUINIEHG-GXSJLCMTSA-N 1 0 246.376 0.785 10 0 BCAERO [NH3+][C@H]1C[C@@H](CNC(=O)CC(F)(F)F)C1 ZINC000715065404 712505139 /nfs/dbraw/zinc/50/51/39/712505139.db2.gz GHRAFNJAZJQNGR-OLQVQODUSA-N 1 0 210.199 0.792 10 0 BCAERO Cc1cc(NC[C@H]2C[C@@H]([NH3+])C2)n2ncnc2n1 ZINC000715068679 712505558 /nfs/dbraw/zinc/50/55/58/712505558.db2.gz XLQHHOSIDAKADQ-DTORHVGOSA-N 1 0 232.291 0.582 10 0 BCAERO C[C@@H]([NH3+])CC(=O)N1[C@@H](C)COC[C@@H]1C ZINC000715068958 712505618 /nfs/dbraw/zinc/50/56/18/712505618.db2.gz FBMXXNWAUWBLOU-VGMNWLOBSA-N 1 0 200.282 0.360 10 0 BCAERO [NH3+]C[C@@H]1[C@H](C(=O)NC[C@H]2CCC[C@@H]2O)C1(F)F ZINC000715074386 712506051 /nfs/dbraw/zinc/50/60/51/712506051.db2.gz QHCSYJPMTQSGSL-LURQLKTLSA-N 1 0 248.273 0.104 10 0 BCAERO C[C@@H](NC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F)[C@@H]1CCCO1 ZINC000715072852 712506066 /nfs/dbraw/zinc/50/60/66/712506066.db2.gz DJKNYEMFXFSVMA-XGEHTFHBSA-N 1 0 248.273 0.510 10 0 BCAERO [NH3+]C1CC(CNC(=O)[C@H]2CCCS2)C1 ZINC000715073842 712506069 /nfs/dbraw/zinc/50/60/69/712506069.db2.gz XMLZSMKYNJDAET-AMDVSUOASA-N 1 0 214.334 0.736 10 0 BCAERO CC[C@H]([NH3+])C(=O)N[C@H](C)[C@@H]1CCCO1 ZINC000036871733 712506546 /nfs/dbraw/zinc/50/65/46/712506546.db2.gz YPDGUAKUJKTKRE-VGMNWLOBSA-N 1 0 200.282 0.407 10 0 BCAERO Cc1ncc(C(=O)NCC2CC([NH3+])C2)s1 ZINC000715080309 712506863 /nfs/dbraw/zinc/50/68/63/712506863.db2.gz BSVCOOFFFIKFJK-UHFFFAOYSA-N 1 0 225.317 0.919 10 0 BCAERO Cn1ncc(NC[C@H]2C[C@H]([NH3+])C2)c(Cl)c1=O ZINC000715081502 712507156 /nfs/dbraw/zinc/50/71/56/712507156.db2.gz JZINAQLUAWMCJM-LJGSYFOKSA-N 1 0 242.710 0.583 10 0 BCAERO Cn1ncc2c1ncnc2NC[C@H]1C[C@H]([NH3+])C1 ZINC000715084813 712507499 /nfs/dbraw/zinc/50/74/99/712507499.db2.gz BUCLJQLCUQVRLT-ZKCHVHJHSA-N 1 0 232.291 0.513 10 0 BCAERO COC(=O)c1cncc(NC[C@H]2C[C@H]([NH3+])C2)n1 ZINC000715092285 712508014 /nfs/dbraw/zinc/50/80/14/712508014.db2.gz DOHUSJCRSJMREH-ZKCHVHJHSA-N 1 0 236.275 0.412 10 0 BCAERO CCCCN(C)S(=O)(=O)NCC1CC([NH3+])C1 ZINC000715096799 712508381 /nfs/dbraw/zinc/50/83/81/712508381.db2.gz NBAKFHVKOCNYLM-UHFFFAOYSA-N 1 0 249.380 0.290 10 0 BCAERO [NH3+][C@H]1C[C@H](CNC(=O)CC(F)(F)F)C1 ZINC000715140555 712511386 /nfs/dbraw/zinc/51/13/86/712511386.db2.gz GHRAFNJAZJQNGR-IZLXSQMJSA-N 1 0 210.199 0.792 10 0 BCAERO C[C@@H]([NH3+])CC(=O)N[C@H](C)[C@H]1CCCO1 ZINC000715139243 712511446 /nfs/dbraw/zinc/51/14/46/712511446.db2.gz DCLQYKXGXZOPJF-IWSPIJDZSA-N 1 0 200.282 0.407 10 0 BCAERO [NH3+][C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000715146641 712512280 /nfs/dbraw/zinc/51/22/80/712512280.db2.gz UOPGFVFPHASRPX-XKMIEYFTSA-N 1 0 208.305 0.886 10 0 BCAERO OC[C@H]1C[C@H](O)C[N@@H+]1CC[C@@H]1C[C@H]1C1CC1 ZINC000715492238 712522889 /nfs/dbraw/zinc/52/28/89/712522889.db2.gz VNSOGKKVLCDSLH-NDBYEHHHSA-N 1 0 225.332 0.850 10 0 BCAERO C[C@H]1CC[C@@H](O)CN1C(=O)C12CC[NH+](CC1)C2 ZINC000715869965 712537989 /nfs/dbraw/zinc/53/79/89/712537989.db2.gz KDTGRNZYPMLUED-WDEREUQCSA-N 1 0 238.331 0.454 10 0 BCAERO O=C(N[C@@H]1CCC[C@H](O)C1)C12CC[NH+](CC1)C2 ZINC000715871437 712538081 /nfs/dbraw/zinc/53/80/81/712538081.db2.gz QIXVCTMFVIOWED-MNOVXSKESA-N 1 0 238.331 0.502 10 0 BCAERO C[C@H]([NH2+]C[C@H]1CCO[C@@H]1C)c1cn(C)nn1 ZINC000715885825 712539864 /nfs/dbraw/zinc/53/98/64/712539864.db2.gz UIIKIKBNKVWRFC-IVZWLZJFSA-N 1 0 224.308 0.891 10 0 BCAERO C[C@@H]1OCC[C@@H]1[NH2+]C1CC(S(C)(=O)=O)C1 ZINC000716062844 712549375 /nfs/dbraw/zinc/54/93/75/712549375.db2.gz RGVXMRUCHXIFLA-NFTFJBJSSA-N 1 0 233.333 0.329 10 0 BCAERO C[C@@H]1C[C@@H]1[NH2+]C1CC(S(C)(=O)=O)C1 ZINC000716121940 712550719 /nfs/dbraw/zinc/55/07/19/712550719.db2.gz RVAQTIGOVNQEDT-KHONBHQKSA-N 1 0 203.307 0.560 10 0 BCAERO CC[C@H](COC)[NH2+]C1CC(C(N)=O)C1 ZINC000716721392 712570819 /nfs/dbraw/zinc/57/08/19/712570819.db2.gz CDXMCHGTCHRDPV-QJAFJHJLSA-N 1 0 200.282 0.265 10 0 BCAERO C[C@@H]1C[C@@H]([NH2+]C2CC(C(N)=O)C2)c2nccn21 ZINC000716684405 712569778 /nfs/dbraw/zinc/56/97/78/712569778.db2.gz MGKMZSNQSUJKQS-SEZDTBSWSA-N 1 0 234.303 0.742 10 0 BCAERO C[C@@H](NC1CC(C(N)=O)C1)[C@H]1CCCC[NH2+]1 ZINC000716686445 712569857 /nfs/dbraw/zinc/56/98/57/712569857.db2.gz YLSQZOOGABVXDW-AGVGLQIMSA-N 1 0 225.336 0.371 10 0 BCAERO C[C@H]([NH2+]C1CC(C(N)=O)C1)[C@@H]1CCCCO1 ZINC000716699458 712570168 /nfs/dbraw/zinc/57/01/68/712570168.db2.gz SOYWRBRPDCOWRI-PMUOWJKOSA-N 1 0 226.320 0.798 10 0 BCAERO C[C@H]1C[C@@H]([NH2+]C2CC(C(N)=O)C2)CN1C1CC1 ZINC000716686694 712570428 /nfs/dbraw/zinc/57/04/28/712570428.db2.gz ZKZTXFYIMIXBMM-IDWGSYCQSA-N 1 0 237.347 0.465 10 0 BCAERO NC(=O)C1CC(NC(=O)CCCCCC[NH3+])C1 ZINC000716687155 712570461 /nfs/dbraw/zinc/57/04/61/712570461.db2.gz NUXBZWQFWBRZTK-UHFFFAOYSA-N 1 0 241.335 0.276 10 0 BCAERO NC(=O)c1cccc(C[NH2+]C2CC(C(N)=O)C2)c1 ZINC000716721854 712570690 /nfs/dbraw/zinc/57/06/90/712570690.db2.gz FAJBKFWYMARFHM-UHFFFAOYSA-N 1 0 247.298 0.139 10 0 BCAERO CC[C@@H]1COC[C@H]1[NH2+]C1CC(C(N)=O)C1 ZINC000716729817 712571291 /nfs/dbraw/zinc/57/12/91/712571291.db2.gz BSUFNQFAJKSMTM-SEZDTBSWSA-N 1 0 212.293 0.265 10 0 BCAERO COC[C@H]([NH2+]C1CC(C(N)=O)C1)C1CC1 ZINC000716739321 712571483 /nfs/dbraw/zinc/57/14/83/712571483.db2.gz BTZHOFWGDJBFEF-RTBKNWGFSA-N 1 0 212.293 0.265 10 0 BCAERO C[C@H]1C[C@H]([NH2+]C2CC(C(N)=O)C2)CCN1C ZINC000716762726 712572892 /nfs/dbraw/zinc/57/28/92/712572892.db2.gz ZLSMRIMDKKTLFK-QPBDYMMBSA-N 1 0 225.336 0.323 10 0 BCAERO CO[C@@H]1CCC[C@@H]([NH2+]C2CC(C(N)=O)C2)C1 ZINC000716768826 712572929 /nfs/dbraw/zinc/57/29/29/712572929.db2.gz FGQFLPJRZUKZQP-VGRIYTJTSA-N 1 0 226.320 0.798 10 0 BCAERO CC(C)n1cncc1C[NH2+]C1CC(C(N)=O)C1 ZINC000716783149 712573129 /nfs/dbraw/zinc/57/31/29/712573129.db2.gz OZAWNCYEAWIXFC-UHFFFAOYSA-N 1 0 236.319 0.818 10 0 BCAERO CCn1cc([C@H](C)[NH2+]C2CC(C(N)=O)C2)cn1 ZINC000716782627 712573293 /nfs/dbraw/zinc/57/32/93/712573293.db2.gz GOWYAWHJLPFTBJ-SILCLGDVSA-N 1 0 236.319 0.818 10 0 BCAERO C[C@@H]1CN(C(=O)COC2CC2)C[C@@H]1C[NH3+] ZINC000717671365 712664081 /nfs/dbraw/zinc/66/40/81/712664081.db2.gz HQZNFWGHDVYMIH-BDAKNGLRSA-N 1 0 212.293 0.219 10 0 BCAERO C[C@H]([NH3+])CC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000037607437 712675722 /nfs/dbraw/zinc/67/57/22/712675722.db2.gz CDCKBWUJUFHUSR-LURJTMIESA-N 1 0 234.259 0.532 10 0 BCAERO C[C@@H]1OCC[C@@H]1NC(=O)[C@H]([NH3+])CC1CC1 ZINC000380040111 712684072 /nfs/dbraw/zinc/68/40/72/712684072.db2.gz UCPNBNIWSIEIKC-SFGNSQDASA-N 1 0 212.293 0.407 10 0 BCAERO Cc1coc(C[NH2+][C@H]2CCOC[C@H]2O)c1 ZINC000718069235 712740859 /nfs/dbraw/zinc/74/08/59/712740859.db2.gz BSMOSJQNQQTEEU-WDEREUQCSA-N 1 0 211.261 0.827 10 0 BCAERO C[C@@H]1CO[C@H](C(=O)N2C[C@H]([NH3+])[C@@H](C)C2)C1 ZINC000718474834 712764837 /nfs/dbraw/zinc/76/48/37/712764837.db2.gz GDLCREFHEPBOQO-XKNYDFJKSA-N 1 0 212.293 0.217 10 0 BCAERO C[C@@H]1CO[C@H](C(=O)NC[C@@H]2CC[NH2+]C2)C1 ZINC000718476008 712766442 /nfs/dbraw/zinc/76/64/42/712766442.db2.gz KHBQLQCBQZOHNM-AEJSXWLSSA-N 1 0 212.293 0.137 10 0 BCAERO C[C@@H]1CO[C@@H](C(=O)N[C@@H](C[NH3+])C(F)(F)F)C1 ZINC000718561780 712773186 /nfs/dbraw/zinc/77/31/86/712773186.db2.gz ZXGJKBBEBHLJGN-XVMARJQXSA-N 1 0 240.225 0.417 10 0 BCAERO CC(C)COC[C@@H](O)C[NH2+]C(C)(C)CO ZINC000037888184 712780903 /nfs/dbraw/zinc/78/09/03/712780903.db2.gz JCUBONWXRXZOSW-JTQLQIEISA-N 1 0 219.325 0.380 10 0 BCAERO COCC(C)(C)CCNC(=O)C1CC([NH3+])C1 ZINC000718933844 712788666 /nfs/dbraw/zinc/78/86/66/712788666.db2.gz GDTBBJPTLAWPBU-UHFFFAOYSA-N 1 0 228.336 0.903 10 0 BCAERO OC1(C[N@@H+]2CC[C@H](C3OCCO3)C2)CCC1 ZINC000718987803 712792350 /nfs/dbraw/zinc/79/23/50/712792350.db2.gz JZMLHGNDYPIZDS-JTQLQIEISA-N 1 0 227.304 0.596 10 0 BCAERO C[C@@H](O)[C@@H](C)[NH2+]Cc1cnc2n1CCC2 ZINC000719123527 712798320 /nfs/dbraw/zinc/79/83/20/712798320.db2.gz QCHLWGDBIJZLMI-RKDXNWHRSA-N 1 0 209.293 0.688 10 0 BCAERO CO[C@]1(C[NH2+]CC(C)(C)O)CCSC1 ZINC000719227248 712800937 /nfs/dbraw/zinc/80/09/37/712800937.db2.gz IDHHNEXMEJBHPC-JTQLQIEISA-N 1 0 219.350 0.869 10 0 BCAERO C[NH2+]CCCCC(=O)NCC[C@@H](C)O ZINC000719657584 712821527 /nfs/dbraw/zinc/82/15/27/712821527.db2.gz AALNWDGGPYBBIJ-SECBINFHSA-N 1 0 202.298 0.263 10 0 BCAERO C[NH2+]CCCCC(=O)N[C@H]1CCC[C@@H](O)C1 ZINC000719715059 712823324 /nfs/dbraw/zinc/82/33/24/712823324.db2.gz NINWXWPVHVUHSL-WDEREUQCSA-N 1 0 228.336 0.796 10 0 BCAERO C[C@]1(C(=O)NC[C@H]2CCCC[C@H]2O)CC[NH2+]C1 ZINC000250819100 712834567 /nfs/dbraw/zinc/83/45/67/712834567.db2.gz YUEDYPTVESIHOY-WZRBSPASSA-N 1 0 240.347 0.653 10 0 BCAERO C[C@H](C(=O)N1CCC[C@H]1C[NH3+])[C@H]1CCCO1 ZINC000720538186 712849628 /nfs/dbraw/zinc/84/96/28/712849628.db2.gz CKXIDGCQDSYGIO-GARJFASQSA-N 1 0 226.320 0.751 10 0 BCAERO C[C@@H](C(=O)NCC[C@H](C)[NH3+])[C@@H]1CCCO1 ZINC000720541236 712850163 /nfs/dbraw/zinc/85/01/63/712850163.db2.gz MURJVBVPCVAQME-AEJSXWLSSA-N 1 0 214.309 0.655 10 0 BCAERO C[C@@H](N[C@H]1CCC[NH2+]C1)c1cn(C)nn1 ZINC000720574173 712852773 /nfs/dbraw/zinc/85/27/73/712852773.db2.gz JKFKMIDMBSSBJG-BDAKNGLRSA-N 1 0 209.297 0.218 10 0 BCAERO Cc1cc(CN2C[C@H]([NH3+])[C@@H](C)C2)c(C)nn1 ZINC000720578837 712853885 /nfs/dbraw/zinc/85/38/85/712853885.db2.gz PIZWWKLSWVTXDZ-UFBFGSQYSA-N 1 0 220.320 0.872 10 0 BCAERO C[C@H](N[C@@H]1C[C@H]([NH3+])C12CCC2)c1cn(C)nn1 ZINC000720602111 712857464 /nfs/dbraw/zinc/85/74/64/712857464.db2.gz JPOGQSPNOBCBJP-INTQDDNPSA-N 1 0 235.335 0.736 10 0 BCAERO C[C@@H]([NH2+]CCCc1cncn1C)c1cn(C)nn1 ZINC000720616737 712859249 /nfs/dbraw/zinc/85/92/49/712859249.db2.gz YJDMUGWMVZUFQD-SNVBAGLBSA-N 1 0 248.334 0.832 10 0 BCAERO C[C@H]([NH2+]CCCc1cncn1C)c1cn(C)nn1 ZINC000720616736 712859322 /nfs/dbraw/zinc/85/93/22/712859322.db2.gz YJDMUGWMVZUFQD-JTQLQIEISA-N 1 0 248.334 0.832 10 0 BCAERO CCCCOC[C@@H](O)CN1C[C@H]([NH3+])C(C)(C)C1 ZINC000720803519 712867281 /nfs/dbraw/zinc/86/72/81/712867281.db2.gz HQHXCOVEUPASQW-RYUDHWBXSA-N 1 0 244.379 0.833 10 0 BCAERO Cc1c(C[NH2+]C[C@H]2C[C@H](O)C2)cnn1C ZINC000720957769 712882541 /nfs/dbraw/zinc/88/25/41/712882541.db2.gz RYHGQKXFGJWDOC-HOMQSWHASA-N 1 0 209.293 0.589 10 0 BCAERO CC(C)C[NH+]1CCN(c2cc(N)ncn2)CC1 ZINC000132882929 719336724 /nfs/dbraw/zinc/33/67/24/719336724.db2.gz LEDRTRVPZBLCSZ-UHFFFAOYSA-N 1 0 235.335 0.837 10 0 BCAERO CC[C@@H]1[NH2+]CC[C@H]1c1n[nH]nc1C(=O)OC ZINC000685953908 538898860 /nfs/dbraw/zinc/89/88/60/538898860.db2.gz OOPHPRYEXAHPHW-RQJHMYQMSA-N 1 0 224.264 0.447 10 0 BCAERO CCOC(=O)c1n[nH]nc1C[C@H]([NH3+])C1CC1 ZINC000685954696 538899185 /nfs/dbraw/zinc/89/91/85/538899185.db2.gz YNOBKSVIGGDVIP-ZETCQYMHSA-N 1 0 224.264 0.261 10 0 BCAERO C[C@@H]1C[C@H](C[NH3+])CC[C@H]1S(C)(=O)=O ZINC000685955108 538899750 /nfs/dbraw/zinc/89/97/50/538899750.db2.gz SZFXSLXILIHXSL-IWSPIJDZSA-N 1 0 205.323 0.795 10 0 BCAERO COC(=O)c1n[nH]nc1[C@H]1CCC[NH2+]C1 ZINC000685954940 538900069 /nfs/dbraw/zinc/90/00/69/538900069.db2.gz WNRKAAVJNFKKHA-LURJTMIESA-N 1 0 210.237 0.058 10 0 BCAERO C[C@@H]1C[C@@H](C[NH3+])CC[C@H]1S(C)(=O)=O ZINC000685955107 538900248 /nfs/dbraw/zinc/90/02/48/538900248.db2.gz SZFXSLXILIHXSL-HRDYMLBCSA-N 1 0 205.323 0.795 10 0 BCAERO C[C@@H]1C[C@@H](S(C)(=O)=O)CC[C@H]1C[NH3+] ZINC000685955170 538900745 /nfs/dbraw/zinc/90/07/45/538900745.db2.gz VMSXJVFWIZEWAJ-VGMNWLOBSA-N 1 0 205.323 0.795 10 0 BCAERO CCS(=O)(=O)[C@@H]1CC[C@@H](C)C[C@@H]1[NH3+] ZINC000685955401 538901292 /nfs/dbraw/zinc/90/12/92/538901292.db2.gz ZBLIWMGYXUJJGT-HRDYMLBCSA-N 1 0 205.323 0.937 10 0 BCAERO COCC[NH2+]C[C@@H]1C[C@@]1(CO)C(C)C ZINC000685961393 538908717 /nfs/dbraw/zinc/90/87/17/538908717.db2.gz QZQKEZJDLKAVPF-WDEREUQCSA-N 1 0 201.310 0.877 10 0 BCAERO CC(C)[C@]1(CO)C[C@@H]1C[NH+]1CCN(C)CC1 ZINC000685961426 538908848 /nfs/dbraw/zinc/90/88/48/538908848.db2.gz RLUMJXXIBWWEEA-CHWSQXEVSA-N 1 0 226.364 0.888 10 0 BCAERO COC(=O)c1n[nH]nc1[C@@H]1CC[NH2+][C@H]1C ZINC000685952551 538896320 /nfs/dbraw/zinc/89/63/20/538896320.db2.gz ATMUGGAZOKZWSL-NTSWFWBYSA-N 1 0 210.237 0.057 10 0 BCAERO O=C(N[C@@H]1CO[C@H](C2CC2)C1)[C@H]1C[C@H](F)C[NH2+]1 ZINC000638695980 352533478 /nfs/dbraw/zinc/53/34/78/352533478.db2.gz SQYWIHUBJUUEDM-MMWGEVLESA-N 1 0 242.294 0.370 10 0 BCAERO CCN1CCO[C@H](C[NH2+]Cc2ccn(C)c2)C1 ZINC000161376556 538915302 /nfs/dbraw/zinc/91/53/02/538915302.db2.gz OVJHISNNFAJMES-CYBMUJFWSA-N 1 0 237.347 0.835 10 0 BCAERO CC[NH2+]CC[C@H](CO)[C@H]1COC(C)(C)O1 ZINC000685963922 538910720 /nfs/dbraw/zinc/91/07/20/538910720.db2.gz ZOEZRMUBFYLEFO-NXEZZACHSA-N 1 0 217.309 0.746 10 0 BCAERO CCC[NH2+]CC[C@@H](CO)[C@H]1CCS(=O)(=O)C1 ZINC000685963842 538910756 /nfs/dbraw/zinc/91/07/56/538910756.db2.gz YGOBUPJPXYYHTP-QWRGUYRKSA-N 1 0 249.376 0.419 10 0 BCAERO CC[NH2+]CC[C@@H](CO)[C@@H]1COC(C)(C)O1 ZINC000685963923 538910758 /nfs/dbraw/zinc/91/07/58/538910758.db2.gz ZOEZRMUBFYLEFO-UWVGGRQHSA-N 1 0 217.309 0.746 10 0 BCAERO C[C@H]([NH3+])c1csc(N2CCOCC2)n1 ZINC000070844288 398140638 /nfs/dbraw/zinc/14/06/38/398140638.db2.gz XDLLORFVYNSLCS-ZETCQYMHSA-N 1 0 213.306 0.999 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@H]1CO[C@H](C2CC2)C1 ZINC000638695947 352533529 /nfs/dbraw/zinc/53/35/29/352533529.db2.gz SHDXGIGDZRBVJH-HKWIRBFKSA-N 1 0 238.331 0.526 10 0 BCAERO CCC(CC)(C[NH3+])NC(=O)[C@H](C)COC ZINC000236771883 168324437 /nfs/dbraw/zinc/32/44/37/168324437.db2.gz DOTVPANDSVEORF-SECBINFHSA-N 1 0 216.325 0.903 10 0 BCAERO O=S1(=O)CCC([NH2+][C@H]2CCSC2)CC1 ZINC000036331235 343978206 /nfs/dbraw/zinc/97/82/06/343978206.db2.gz JKGXWYFOONONLU-VIFPVBQESA-N 1 0 235.374 0.659 10 0 BCAERO NC(=O)c1cccc([C@H]2CCN(CC[NH3+])C2)c1 ZINC000616612136 349479372 /nfs/dbraw/zinc/47/93/72/349479372.db2.gz MUFNIIVVVYNBJM-LBPRGKRZSA-N 1 0 233.315 0.534 10 0 BCAERO CCC(CC)(CO)[NH2+]C[C@H](O)COCC1CC1 ZINC000053070493 168329667 /nfs/dbraw/zinc/32/96/67/168329667.db2.gz SNANIRUEPRJZHX-LBPRGKRZSA-N 1 0 245.363 0.915 10 0 BCAERO CC(C)NC(=O)CC[N@@H+]1CC[C@H](CCO)C1 ZINC000161591535 349481533 /nfs/dbraw/zinc/48/15/33/349481533.db2.gz WKCAXJOPXJGWGD-LLVKDONJSA-N 1 0 228.336 0.605 10 0 BCAERO Cn1nnnc1NC[C@@H]([NH3+])c1ccccc1 ZINC000062939431 349502323 /nfs/dbraw/zinc/50/23/23/349502323.db2.gz XJVGETYTOKJVJS-SECBINFHSA-N 1 0 218.264 0.322 10 0 BCAERO CC(C)(C)OC(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000299805256 398152759 /nfs/dbraw/zinc/15/27/59/398152759.db2.gz GGMMBDZOUNAQJL-VIFPVBQESA-N 1 0 230.308 0.890 10 0 BCAERO CCC(CC)C(=O)N1CCCN(CC[NH3+])CC1 ZINC000037038347 168335296 /nfs/dbraw/zinc/33/52/96/168335296.db2.gz KSKMSETYADUVAY-UHFFFAOYSA-N 1 0 241.379 0.916 10 0 BCAERO C[C@@H]1SCC[C@H]1NC(=O)[C@@H]1CC[NH2+]1 ZINC000307487661 398171223 /nfs/dbraw/zinc/17/12/23/398171223.db2.gz WBLHDYODFDYMBV-RNJXMRFFSA-N 1 0 200.307 0.359 10 0 BCAERO C[NH2+][C@@H](C)CNC(=O)Cn1cnc2ccccc21 ZINC000649360793 398173297 /nfs/dbraw/zinc/17/32/97/398173297.db2.gz PTRDWNZNHXRLGH-JTQLQIEISA-N 1 0 246.314 0.760 10 0 BCAERO C[C@H]([NH3+])[C@@H](C)C1CCS(=O)(=O)CC1 ZINC000575516798 398176194 /nfs/dbraw/zinc/17/61/94/398176194.db2.gz CCROYZDYOYRIGA-SFYZADRCSA-N 1 0 205.323 0.795 10 0 BCAERO CN(CC(F)F)C(=O)C1(C[NH3+])CCOCC1 ZINC000122366836 398177866 /nfs/dbraw/zinc/17/78/66/398177866.db2.gz OXVZQHNCVKODFF-UHFFFAOYSA-N 1 0 236.262 0.465 10 0 BCAERO C[C@H](O)CC[NH2+]C[C@](C)(O)C(F)(F)F ZINC000379652258 398160737 /nfs/dbraw/zinc/16/07/37/398160737.db2.gz GLJMUOOTPARLME-BQBZGAKWSA-N 1 0 215.215 0.660 10 0 BCAERO C[C@H]1[C@H]([NH3+])CCN1S(=O)(=O)CC1CCC1 ZINC000379702961 398161414 /nfs/dbraw/zinc/16/14/14/398161414.db2.gz AMCLYIZSOMQFSZ-WCBMZHEXSA-N 1 0 232.349 0.538 10 0 BCAERO C[C@@H]1C[C@H]1NC(=O)[C@H]1CSCC[NH2+]1 ZINC000252128920 398186492 /nfs/dbraw/zinc/18/64/92/398186492.db2.gz LTUPNXCAIKTONK-BWZBUEFSSA-N 1 0 200.307 0.216 10 0 BCAERO Cc1nc[nH]c1CNC(=O)C[C@@H]([NH3+])C(C)C ZINC000380208414 398191334 /nfs/dbraw/zinc/19/13/34/398191334.db2.gz GSSRCAHUPRCAOP-SECBINFHSA-N 1 0 224.308 0.708 10 0 BCAERO Cc1nc[nH]c1CNC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000380225454 398191870 /nfs/dbraw/zinc/19/18/70/398191870.db2.gz NZKWIKVYOODRHC-ZJUUUORDSA-N 1 0 236.319 0.709 10 0 BCAERO Cc1cc(N(C)CC(C)(C)C[NH3+])n2ncnc2n1 ZINC000093874633 178095980 /nfs/dbraw/zinc/09/59/80/178095980.db2.gz MFWZHBDMZOSVQN-UHFFFAOYSA-N 1 0 248.334 0.854 10 0 BCAERO Cc1cc(N(C)[C@@H](C)CC[NH3+])n2ncnc2n1 ZINC000063086517 178100494 /nfs/dbraw/zinc/10/04/94/178100494.db2.gz OYVCMRSHHVWAFX-VIFPVBQESA-N 1 0 234.307 0.606 10 0 BCAERO CCn1nnc(Br)c1C[NH3+] ZINC000536960946 398200075 /nfs/dbraw/zinc/20/00/75/398200075.db2.gz WBVQQNNTYXDBNJ-UHFFFAOYSA-N 1 0 205.059 0.519 10 0 BCAERO C[C@H]1[C@H](C)OC[C@@]12[NH2+]CCc1nc[nH]c12 ZINC000405550929 398196380 /nfs/dbraw/zinc/19/63/80/398196380.db2.gz SAVIHDUYIREAPV-DKCNOQQISA-N 1 0 207.277 0.806 10 0 BCAERO C[C@@H]1OC[C@]2([NH2+]CCc3nc[nH]c32)[C@@H]1C ZINC000405550930 398196513 /nfs/dbraw/zinc/19/65/13/398196513.db2.gz SAVIHDUYIREAPV-FYBVGQRMSA-N 1 0 207.277 0.806 10 0 BCAERO O=C1NC[C@H](C[NH2+][C@@H]2CCSC2)O1 ZINC000306445044 398197452 /nfs/dbraw/zinc/19/74/52/398197452.db2.gz SCSLLIRNKXLBBK-RQJHMYQMSA-N 1 0 202.279 0.190 10 0 BCAERO Cc1cc(N2C[C@@H](C)[C@@H]([NH3+])C2)nc(C)n1 ZINC000235391618 178120415 /nfs/dbraw/zinc/12/04/15/178120415.db2.gz CBDPLINTLLMZGP-XCBNKYQSSA-N 1 0 206.293 0.877 10 0 BCAERO Cc1cc(N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)nc(C)n1 ZINC000301667416 178121273 /nfs/dbraw/zinc/12/12/73/178121273.db2.gz OZRYXALLWWNCOI-RYUDHWBXSA-N 1 0 248.330 0.613 10 0 BCAERO CCOCCCC(=O)N1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000638892674 398203729 /nfs/dbraw/zinc/20/37/29/398203729.db2.gz QIIJFPIIDVTTTR-MNOVXSKESA-N 1 0 228.336 0.856 10 0 BCAERO C[C@H]1CN(C(=O)c2cccnc2)C[C@@H]1C[NH3+] ZINC000638892561 398203828 /nfs/dbraw/zinc/20/38/28/398203828.db2.gz JGZPWHVGLGDYCK-ONGXEEELSA-N 1 0 219.288 0.748 10 0 BCAERO OCC[N@@H+]1CCC[C@@H](OC(F)(F)F)C1 ZINC000616621788 398204978 /nfs/dbraw/zinc/20/49/78/398204978.db2.gz YVKSHINVUWJQCK-SSDOTTSWSA-N 1 0 213.199 0.980 10 0 BCAERO Cn1ncnc1C(=O)C1(C[NH3+])CCCC1 ZINC000307715454 398206538 /nfs/dbraw/zinc/20/65/38/398206538.db2.gz GBZNJCVLWDALAU-UHFFFAOYSA-N 1 0 208.265 0.517 10 0 BCAERO Cc1cc(C)n(CCN2CCC[C@H]2C[NH3+])n1 ZINC000386782388 398219724 /nfs/dbraw/zinc/21/97/24/398219724.db2.gz MNJPJNOVELICGT-LBPRGKRZSA-N 1 0 222.336 0.923 10 0 BCAERO Cc1cc(C)n(CCN2C[C@H](C)[C@H]([NH3+])C2)n1 ZINC000386764446 398219862 /nfs/dbraw/zinc/21/98/62/398219862.db2.gz JCYNYOAKEMXYOP-JOYOIKCWSA-N 1 0 222.336 0.779 10 0 BCAERO COC[C@@H](C)C[NH2+][C@@H]1CCCNC1=O ZINC000163331458 538928082 /nfs/dbraw/zinc/92/80/82/538928082.db2.gz SHSNCXVZKHPUPM-DTWKUNHWSA-N 1 0 200.282 0.137 10 0 BCAERO Cc1cc(NC[C@@H]2C[NH2+]CCO2)nc(C)n1 ZINC000227786922 178167149 /nfs/dbraw/zinc/16/71/49/178167149.db2.gz ZUFBEMVTNQFXJS-JTQLQIEISA-N 1 0 222.292 0.494 10 0 BCAERO Cc1cc(NC[C@@H]2CCC[NH2+]2)n2ncnc2n1 ZINC000053255132 178167758 /nfs/dbraw/zinc/16/77/58/178167758.db2.gz OIGNARLDRNLHQQ-VIFPVBQESA-N 1 0 232.291 0.597 10 0 BCAERO Cc1cc(NC[C@H]2CCC[NH2+]C2)n2ncnc2n1 ZINC000044502761 178170612 /nfs/dbraw/zinc/17/06/12/178170612.db2.gz VSJSOFARLMHVCR-JTQLQIEISA-N 1 0 246.318 0.844 10 0 BCAERO Cc1cc(N[C@H]2CCC[NH2+][C@@H]2C)n2ncnc2n1 ZINC000229610283 178189186 /nfs/dbraw/zinc/18/91/86/178189186.db2.gz DLANDGSDDSFMOD-ZJUUUORDSA-N 1 0 246.318 0.985 10 0 BCAERO CCCNC(=O)CN1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000082643432 136221917 /nfs/dbraw/zinc/22/19/17/136221917.db2.gz DTWSZCXYPSLFPD-GHMZBOCLSA-N 1 0 227.352 0.572 10 0 BCAERO CO[C@@H]1C[NH2+][C@H](c2nc(C3CC3)no2)C1 ZINC000021505580 136222186 /nfs/dbraw/zinc/22/21/86/136222186.db2.gz ASWIBTMGLOTJQK-YUMQZZPRSA-N 1 0 209.249 0.996 10 0 BCAERO Cc1cc(Nc2nc[nH+]c(NN)c2N)no1 ZINC000040681033 178193603 /nfs/dbraw/zinc/19/36/03/178193603.db2.gz QMIAEIAZWDAEPR-UHFFFAOYSA-N 1 0 221.224 0.384 10 0 BCAERO C[C@@H]1C[C@@H](O)CN1[C@@H](C[NH3+])C(F)(F)F ZINC000306643410 361781539 /nfs/dbraw/zinc/78/15/39/361781539.db2.gz WNVBNAWNDYTBRK-QYNIQEEDSA-N 1 0 212.215 0.331 10 0 BCAERO Cc1cc(S(=O)(=O)NCC[C@@H](C)[NH3+])c(C)o1 ZINC000183138637 178216705 /nfs/dbraw/zinc/21/67/05/178216705.db2.gz QQCLXWWZQKYMMQ-SSDOTTSWSA-N 1 0 246.332 0.912 10 0 BCAERO CCN1CCO[C@H](C[NH2+][C@@H](COC)C2CC2)C1 ZINC000165259252 538935104 /nfs/dbraw/zinc/93/51/04/538935104.db2.gz YMFAKPSGDQZYKL-OLZOCXBDSA-N 1 0 242.363 0.722 10 0 BCAERO CCN1CCO[C@H](C[NH2+][C@@H](C)[C@@H]2CCOC2)C1 ZINC000165252508 538935368 /nfs/dbraw/zinc/93/53/68/538935368.db2.gz XFQKNEXPFAZUTI-YNEHKIRRSA-N 1 0 242.363 0.722 10 0 BCAERO CS[C@@H]1C[NH2+]C[C@H]1N1CCOC[C@@H]1C ZINC000226660611 398239892 /nfs/dbraw/zinc/23/98/92/398239892.db2.gz JOCRSVYDWSOYJE-IVZWLZJFSA-N 1 0 216.350 0.411 10 0 BCAERO Cc1cc2c(N3C[C@@H](C)[C@@H]([NH3+])C3)nccn2n1 ZINC000235401075 178279592 /nfs/dbraw/zinc/27/95/92/178279592.db2.gz WHFMXTAJJKAXOG-SCZZXKLOSA-N 1 0 231.303 0.821 10 0 BCAERO C[C@@]1(C(=O)Nc2nc[nH]n2)CCCC[NH2+]1 ZINC000645410078 398248243 /nfs/dbraw/zinc/24/82/43/398248243.db2.gz RHXKUTFPVVLLKO-VIFPVBQESA-N 1 0 209.253 0.275 10 0 BCAERO Cc1cc2ncc([C@@H](C)[NH2+]CC(N)=O)c(C)n2n1 ZINC000020083401 178303502 /nfs/dbraw/zinc/30/35/02/178303502.db2.gz HNCQSDBNAKQQPV-MRVPVSSYSA-N 1 0 247.302 0.482 10 0 BCAERO C[NH2+][C@@H](C)CNC(=O)c1cc(C)[nH]c1C ZINC000381508042 398254325 /nfs/dbraw/zinc/25/43/25/398254325.db2.gz UGZRIVDMSOMSAG-QMMMGPOBSA-N 1 0 209.293 0.969 10 0 BCAERO Cc1nncn1CCNC(=O)C[C@@H]([NH3+])C(C)C ZINC000390887099 398257893 /nfs/dbraw/zinc/25/78/93/398257893.db2.gz IZWBIDPHWUMXDL-SNVBAGLBSA-N 1 0 239.323 0.076 10 0 BCAERO C[C@H]1[NH2+]CCC[C@@H]1C(=O)N(C)Cc1nc[nH]n1 ZINC000384403691 398259500 /nfs/dbraw/zinc/25/95/00/398259500.db2.gz PVBPJJDCEXKWSX-BDAKNGLRSA-N 1 0 237.307 0.151 10 0 BCAERO Cc1ccc(-n2cnnn2)cc1NC(=O)[C@@H](C)[NH3+] ZINC000037025465 178347086 /nfs/dbraw/zinc/34/70/86/178347086.db2.gz UNPIIQPLTDTPAP-MRVPVSSYSA-N 1 0 246.274 0.256 10 0 BCAERO Cc1ccc(=O)n(CC[NH2+]C(C)(C)C)n1 ZINC000061810388 178360834 /nfs/dbraw/zinc/36/08/34/178360834.db2.gz KIZKTRMDGKNASB-UHFFFAOYSA-N 1 0 209.293 0.940 10 0 BCAERO CCC(CC)N(CC[NH3+])C(=O)[C@@H]1COCCO1 ZINC000104303092 168372066 /nfs/dbraw/zinc/37/20/66/168372066.db2.gz CSKOAHLOBXFJGQ-NSHDSACASA-N 1 0 244.335 0.378 10 0 BCAERO CN1CCC[C@H]1C[NH2+]C(C)(C)CC(N)=O ZINC000386340854 398264826 /nfs/dbraw/zinc/26/48/26/398264826.db2.gz RVEBWXWMRFBZEZ-VIFPVBQESA-N 1 0 213.325 0.324 10 0 BCAERO CCOc1cc(N(C)C2C[NH2+]C2)nc(C)n1 ZINC000085484119 488177818 /nfs/dbraw/zinc/17/78/18/488177818.db2.gz SCLXSAQWDOUEEH-UHFFFAOYSA-N 1 0 222.292 0.592 10 0 BCAERO CC(C)[C@H]([NH2+]Cc1ccc(O)cc1)C(N)=O ZINC000231036231 538952280 /nfs/dbraw/zinc/95/22/80/538952280.db2.gz LEPUVZQPSJMEBN-NSHDSACASA-N 1 0 222.288 0.992 10 0 BCAERO CCC(CC)N(CCO)C(=O)[C@H](C)C[NH3+] ZINC000044807487 168373641 /nfs/dbraw/zinc/37/36/41/168373641.db2.gz XUPITGOKLKKRHX-SECBINFHSA-N 1 0 216.325 0.591 10 0 BCAERO CC(C)[C@@H](CCO)[NH2+]Cc1nnnn1C(C)C ZINC000162167240 349582779 /nfs/dbraw/zinc/58/27/79/349582779.db2.gz ZCKRZKNXWGBGMX-SNVBAGLBSA-N 1 0 241.339 0.751 10 0 BCAERO C[C@@H]([NH2+][C@H]1CCc2ncnn2C1)C1CC1 ZINC000165302355 361837976 /nfs/dbraw/zinc/83/79/76/361837976.db2.gz IWTXGYRSEDASII-SCZZXKLOSA-N 1 0 206.293 0.981 10 0 BCAERO COCC[C@@H](COC)[NH2+][C@@H]1CCCC[C@H]1O ZINC000378915450 346857320 /nfs/dbraw/zinc/85/73/20/346857320.db2.gz YWFAFIQAQBKIRN-QJPTWQEYSA-N 1 0 231.336 0.931 10 0 BCAERO C[NH2+]C[C@H]1COCCN1C(=O)OC(C)(C)C ZINC000116626676 342689886 /nfs/dbraw/zinc/68/98/86/342689886.db2.gz PYMSTMUJCKYFJO-VIFPVBQESA-N 1 0 230.308 0.842 10 0 BCAERO [NH3+][C@@H]1CC[C@H](C(=O)NCc2csc(=O)[nH]2)C1 ZINC000231705080 342691399 /nfs/dbraw/zinc/69/13/99/342691399.db2.gz NPXPLRYATGSLAO-NKWVEPMBSA-N 1 0 241.316 0.180 10 0 BCAERO CCSCC[NH2+][C@H]1CCOC[C@@H]1O ZINC000600212064 342700783 /nfs/dbraw/zinc/70/07/83/342700783.db2.gz VBFWKCZSYKNUPR-IUCAKERBSA-N 1 0 205.323 0.479 10 0 BCAERO [NH3+][C@@H]1C[C@H]1NC(=O)c1[nH]ncc1Br ZINC000306651439 361856202 /nfs/dbraw/zinc/85/62/02/361856202.db2.gz SHDSVURPHHUYBQ-RFZPGFLSSA-N 1 0 245.080 0.002 10 0 BCAERO C[C@H]([NH3+])CNC(=O)c1ncncc1Cl ZINC000306646704 361841645 /nfs/dbraw/zinc/84/16/45/361841645.db2.gz DBYVVESJZKRJCA-YFKPBYRVSA-N 1 0 214.656 0.207 10 0 BCAERO CN1CCC([NH2+][C@@H]2CCC[C@H](O)C2)CC1 ZINC000037164626 538961596 /nfs/dbraw/zinc/96/15/96/538961596.db2.gz CZBABMNSVJVMCO-NEPJUHHUSA-N 1 0 212.337 0.974 10 0 BCAERO NC(=O)c1ccccc1[C@H]1CCN(CC[NH3+])C1 ZINC000616613137 349614061 /nfs/dbraw/zinc/61/40/61/349614061.db2.gz YRVWEZHPLLPDJJ-JTQLQIEISA-N 1 0 233.315 0.534 10 0 BCAERO Cc1cccc(CCN2CCO[C@H](CO)C2)n1 ZINC000399742425 342742159 /nfs/dbraw/zinc/74/21/59/342742159.db2.gz YMRCJICVXSCSPX-ZDUSSCGKSA-N 1 0 236.315 0.626 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)NCc1ccno1 ZINC000231893383 342743454 /nfs/dbraw/zinc/74/34/54/342743454.db2.gz PPYOLFKHZOZWAT-VXNVDRBHSA-N 1 0 209.249 0.146 10 0 BCAERO C=CS(=O)(=O)N1CC[C@@H]([NH+](C)C)[C@@H]1C ZINC000306655026 361861969 /nfs/dbraw/zinc/86/19/69/361861969.db2.gz XFGGVANJAQYZGQ-DTWKUNHWSA-N 1 0 218.322 0.484 10 0 BCAERO CCC(CC)NC(=O)[C@H](C)N(C)[C@@H]1CC[NH2+]C1 ZINC000071311546 168382794 /nfs/dbraw/zinc/38/27/94/168382794.db2.gz ZYDYOOXIXRTAEG-CMPLNLGQSA-N 1 0 241.379 0.973 10 0 BCAERO CC(C)(N)C[N@@H+]1CCCC[C@@H](CO)C1 ZINC000306656712 361865641 /nfs/dbraw/zinc/86/56/41/361865641.db2.gz HGSCMMCCKYCUAS-SNVBAGLBSA-N 1 0 200.326 0.818 10 0 BCAERO CSCCC(=O)N1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000602594117 349616338 /nfs/dbraw/zinc/61/63/38/349616338.db2.gz PTTJFPHFJOPZMM-IUCAKERBSA-N 1 0 216.350 0.793 10 0 BCAERO CCC[C@@H](C(=O)NCC1(CO)CCC1)[NH+](C)C ZINC000183199741 538965662 /nfs/dbraw/zinc/96/56/62/538965662.db2.gz GDEQYHFWVXOUCB-NSHDSACASA-N 1 0 242.363 0.996 10 0 BCAERO [NH3+][C@@H]1CC[C@H](C(=O)Nc2cncnc2)C1 ZINC000232088584 342777832 /nfs/dbraw/zinc/77/78/32/342777832.db2.gz TZHIRLJBLLFFCY-JGVFFNPUSA-N 1 0 206.249 0.543 10 0 BCAERO FC(F)(F)COCCCN[C@H]1CC[NH2+]C1 ZINC000309616408 342754460 /nfs/dbraw/zinc/75/44/60/342754460.db2.gz FKHAUJIOEPBIMH-QMMMGPOBSA-N 1 0 226.242 0.907 10 0 BCAERO O=C(Nc1cc[nH]n1)[C@@H]1CSCC[NH2+]1 ZINC000126854377 342783953 /nfs/dbraw/zinc/78/39/53/342783953.db2.gz CHPIXYYXODXQNJ-LURJTMIESA-N 1 0 212.278 0.053 10 0 BCAERO COC(=O)[C@H]([NH3+])C1C[C@@H](C)O[C@H](C)C1 ZINC000147919081 342784261 /nfs/dbraw/zinc/78/42/61/342784261.db2.gz ATTLKRBHQFKKPL-ZXFLCMHBSA-N 1 0 201.266 0.690 10 0 BCAERO CC[C@H](O)[C@@H](C)[N@@H+]1CCN(C)[C@@H](C)C1 ZINC000216595779 342786603 /nfs/dbraw/zinc/78/66/03/342786603.db2.gz RBSPRFVTZUBOQU-AXFHLTTASA-N 1 0 200.326 0.782 10 0 BCAERO CO[C@@H]1CC[N@H+](Cc2ccncc2N)C1 ZINC000148572029 342791860 /nfs/dbraw/zinc/79/18/60/342791860.db2.gz WLCXQOSQJIIRPW-SNVBAGLBSA-N 1 0 207.277 0.885 10 0 BCAERO C[S@](=O)(=NC#N)c1ccc(C[NH3+])nc1 ZINC000148756371 342792616 /nfs/dbraw/zinc/79/26/16/342792616.db2.gz LDKKOUDVLZKZDY-CQSZACIVSA-N 1 0 210.262 0.478 10 0 BCAERO [NH3+]C[C@@]1(N2CCSCC2)CCOC1 ZINC000070970026 361908985 /nfs/dbraw/zinc/90/89/85/361908985.db2.gz PCPHAYKDBMSHTB-VIFPVBQESA-N 1 0 202.323 0.153 10 0 BCAERO [NH3+]C[C@]1(N2CCSCC2)CCOC1 ZINC000070970024 361909372 /nfs/dbraw/zinc/90/93/72/361909372.db2.gz PCPHAYKDBMSHTB-SECBINFHSA-N 1 0 202.323 0.153 10 0 BCAERO CCCN(C(=O)C(=O)OCC)C1CC[NH2+]CC1 ZINC000042431307 538977778 /nfs/dbraw/zinc/97/77/78/538977778.db2.gz SGBYJSMOQCHINP-UHFFFAOYSA-N 1 0 242.319 0.540 10 0 BCAERO C[NH2+]C[C@H]1CN(c2nccs2)CCO1 ZINC000127030823 342815051 /nfs/dbraw/zinc/81/50/51/342815051.db2.gz KEJXIAYMTDAHPB-QMMMGPOBSA-N 1 0 213.306 0.568 10 0 BCAERO C[NH2+]C[C@@H]1CN(c2nccs2)CCO1 ZINC000127030597 342815231 /nfs/dbraw/zinc/81/52/31/342815231.db2.gz KEJXIAYMTDAHPB-MRVPVSSYSA-N 1 0 213.306 0.568 10 0 BCAERO Cc1cc(N[C@H]2CCOC[C@H]2O)cc[nH+]1 ZINC000624682053 342818891 /nfs/dbraw/zinc/81/88/91/342818891.db2.gz GUHAJFGENRSDKG-WDEREUQCSA-N 1 0 208.261 0.374 10 0 BCAERO C[C@@H](CC(N)=O)[NH2+][C@@H]1CCCCC[C@H]1O ZINC000378791147 538973822 /nfs/dbraw/zinc/97/38/22/538973822.db2.gz NOSYCWWJTCHOSU-IVZWLZJFSA-N 1 0 214.309 0.534 10 0 BCAERO C[C@H]([NH2+][C@@H]1CCNC1=O)[C@H]1CCCCO1 ZINC000380302715 538988335 /nfs/dbraw/zinc/98/83/35/538988335.db2.gz DYORJFISBRGRLC-IVZWLZJFSA-N 1 0 212.293 0.422 10 0 BCAERO CC[C@@H]1CN(C(=O)C(C)C)CC[N@@H+]1C[C@@H](C)O ZINC000174642680 361960061 /nfs/dbraw/zinc/96/00/61/361960061.db2.gz QPCSLGXFYLASPV-VXGBXAGGSA-N 1 0 242.363 0.946 10 0 BCAERO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCCC[C@@H]2CO)C1 ZINC000386354603 539013690 /nfs/dbraw/zinc/01/36/90/539013690.db2.gz VDGOHGJTYXZVDJ-QJPTWQEYSA-N 1 0 240.347 0.605 10 0 BCAERO Cc1nn(C)cc1[C@H](C)[NH2+][C@@H]1CCNC1=O ZINC000381329740 538998376 /nfs/dbraw/zinc/99/83/76/538998376.db2.gz SPVHUIVIBAXARW-OIBJUYFYSA-N 1 0 222.292 0.268 10 0 BCAERO CC1(C)CN(C(=O)C2CCOCC2)C[C@H]1[NH3+] ZINC000387951831 539014783 /nfs/dbraw/zinc/01/47/83/539014783.db2.gz CRYKRDZHWJPPJT-SNVBAGLBSA-N 1 0 226.320 0.609 10 0 BCAERO O=C(N[C@@H]1CCC[C@@H](O)C1)[C@@H]1CCC[NH2+]1 ZINC000037000935 398298297 /nfs/dbraw/zinc/29/82/97/398298297.db2.gz FUCGFLITDNYGND-BBBLOLIVSA-N 1 0 212.293 0.158 10 0 BCAERO O=C(N[C@@H]1CCC[C@H](O)C1)[C@@H]1CCCC[NH2+]1 ZINC000037000951 398298404 /nfs/dbraw/zinc/29/84/04/398298404.db2.gz YJBBSTJBHOEXOJ-VWYCJHECSA-N 1 0 226.320 0.548 10 0 BCAERO C[C@@H]1C[C@H](C)C[N@@H+](CC[C@H]([NH3+])C(=O)[O-])C1 ZINC000062439467 539016516 /nfs/dbraw/zinc/01/65/16/539016516.db2.gz YQLXXAIHZDGVKU-AEJSXWLSSA-N 1 0 214.309 0.766 10 0 BCAERO CC[NH+]1CCN([C@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000062948519 539017360 /nfs/dbraw/zinc/01/73/60/539017360.db2.gz KKOALWZCMUUWPV-NEPJUHHUSA-N 1 0 211.353 0.764 10 0 BCAERO C[C@@H](O)CN1CC[NH+](C(C)(C)C)CC1 ZINC000042462763 362002193 /nfs/dbraw/zinc/00/21/93/362002193.db2.gz DAZYUNLJHUQYBT-SNVBAGLBSA-N 1 0 200.326 0.783 10 0 BCAERO C[C@H](O)CN1CC[NH+](C(C)(C)C)CC1 ZINC000042462761 362002345 /nfs/dbraw/zinc/00/23/45/362002345.db2.gz DAZYUNLJHUQYBT-JTQLQIEISA-N 1 0 200.326 0.783 10 0 BCAERO CCCS(=O)(=O)[C@@H]1CCCC[NH2+]C1 ZINC000233263518 342852771 /nfs/dbraw/zinc/85/27/71/342852771.db2.gz GTQRSVFYCYXIJN-SECBINFHSA-N 1 0 205.323 0.953 10 0 BCAERO C[C@@H]1C[C@H](C)SC(NCCC(N)=O)=[NH+]1 ZINC000164973614 342861402 /nfs/dbraw/zinc/86/14/02/342861402.db2.gz YQCLONXLCXGXRO-RQJHMYQMSA-N 1 0 215.322 0.721 10 0 BCAERO CC(C)(C)OC(=O)[C@@]1(O)CCC[NH2+]C1 ZINC000306882151 398302740 /nfs/dbraw/zinc/30/27/40/398302740.db2.gz MXLVOUWDASJJIU-SNVBAGLBSA-N 1 0 201.266 0.443 10 0 BCAERO Cc1ccc(C(N)=O)c(NC[C@@H]2CCC[NH2+]2)n1 ZINC000053254964 178456162 /nfs/dbraw/zinc/45/61/62/178456162.db2.gz FWUPVDGXBNSGQY-VIFPVBQESA-N 1 0 234.303 0.653 10 0 BCAERO C[NH2+]C(C)(C)C(=O)N[C@H]1CCO[C@H]1C ZINC000134549694 342864426 /nfs/dbraw/zinc/86/44/26/342864426.db2.gz PEIVAMOCHUCLBT-YUMQZZPRSA-N 1 0 200.282 0.278 10 0 BCAERO CC[N@@H+]1CCC[C@@H](NC(=O)N[C@H](C)CO)C1 ZINC000359136778 342873887 /nfs/dbraw/zinc/87/38/87/342873887.db2.gz KZLQWUGZQMIBKB-NXEZZACHSA-N 1 0 229.324 0.151 10 0 BCAERO CC[N@@H+]1CCC[C@H](NC(=O)N[C@H](C)CO)C1 ZINC000359136788 342873987 /nfs/dbraw/zinc/87/39/87/342873987.db2.gz KZLQWUGZQMIBKB-ZJUUUORDSA-N 1 0 229.324 0.151 10 0 BCAERO CC(C)(C)ONC(=O)[C@H]1CCC[C@@H]1[NH3+] ZINC000134507216 342859670 /nfs/dbraw/zinc/85/96/70/342859670.db2.gz ANCIXYPHKTWMJB-YUMQZZPRSA-N 1 0 200.282 0.960 10 0 BCAERO CC(C)(C)ONC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000134512970 342860063 /nfs/dbraw/zinc/86/00/63/342860063.db2.gz XVEGCJDTCNITMR-JGVFFNPUSA-N 1 0 200.282 0.960 10 0 BCAERO [NH3+][C@H]1[C@@H](Nc2nccs2)[C@H]2OCC[C@@H]12 ZINC000227445471 398318718 /nfs/dbraw/zinc/31/87/18/398318718.db2.gz YZQHZKPAHBSPBN-OSMVPFSASA-N 1 0 211.290 0.670 10 0 BCAERO COC(=O)CC[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000035735561 342890923 /nfs/dbraw/zinc/89/09/23/342890923.db2.gz STZLWHKWGLYNRX-DTWKUNHWSA-N 1 0 201.266 0.707 10 0 BCAERO COC(=O)CC[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000035735560 342891046 /nfs/dbraw/zinc/89/10/46/342891046.db2.gz STZLWHKWGLYNRX-BDAKNGLRSA-N 1 0 201.266 0.707 10 0 BCAERO OCC[C@H]1CC[N@H+](CCOC2CCOCC2)C1 ZINC000625190502 342905669 /nfs/dbraw/zinc/90/56/69/342905669.db2.gz VRIPETKMWWFMMB-GFCCVEGCSA-N 1 0 243.347 0.886 10 0 BCAERO C[S@](=O)N[C@H]1CC[NH2+]C12CCCC2 ZINC000401690659 342906172 /nfs/dbraw/zinc/90/61/72/342906172.db2.gz ZXZSGZMEUIFZQO-SDBXPKJASA-N 1 0 202.323 0.544 10 0 BCAERO CC(C)OC[C@H](O)C[NH2+]C[C@H]1CCC[C@H](O)C1 ZINC000300697751 259327970 /nfs/dbraw/zinc/32/79/70/259327970.db2.gz FDXBDXDKTYBJPW-RWMBFGLXSA-N 1 0 245.363 0.913 10 0 BCAERO CCOCCCC(=O)N1C[C@H]([NH3+])[C@@H](C)C1 ZINC000233730851 342912116 /nfs/dbraw/zinc/91/21/16/342912116.db2.gz MMAFFMGLJCAVNI-UWVGGRQHSA-N 1 0 214.309 0.609 10 0 BCAERO CN1CCN(c2nccc3occc32)[C@@H](C[NH3+])C1 ZINC000234356021 342921658 /nfs/dbraw/zinc/92/16/58/342921658.db2.gz JVGIMDVMVZISRU-JTQLQIEISA-N 1 0 246.314 0.907 10 0 BCAERO C[NH2+][C@H](C)C(=O)NC[C@H](C)c1nccs1 ZINC000234429835 342925382 /nfs/dbraw/zinc/92/53/82/342925382.db2.gz BEEOSMJKSSUAAD-JGVFFNPUSA-N 1 0 227.333 0.971 10 0 BCAERO CCN1CC[C@@H]([NH2+]C[C@](C)(O)C(F)(F)F)C1 ZINC000389398858 398324797 /nfs/dbraw/zinc/32/47/97/398324797.db2.gz KGCXOOHDITZTBT-BDAKNGLRSA-N 1 0 240.269 0.984 10 0 BCAERO COC(=O)[C@H](C)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261534065 536630534 /nfs/dbraw/zinc/63/05/34/536630534.db2.gz LRQDWZAIWGOJML-DTWKUNHWSA-N 1 0 214.309 0.607 10 0 BCAERO CNC(=O)c1cc(Br)c[nH+]c1NN ZINC000051095658 346878361 /nfs/dbraw/zinc/87/83/61/346878361.db2.gz UIUHPPVGSMOPRW-UHFFFAOYSA-N 1 0 245.080 0.489 10 0 BCAERO C[C@H](NC(=O)C[NH2+]C1CC1)[C@H]1CCCO1 ZINC000037476971 398327616 /nfs/dbraw/zinc/32/76/16/398327616.db2.gz DAUBWIIQEWSFNY-WCBMZHEXSA-N 1 0 212.293 0.422 10 0 BCAERO CC(C)[NH2+]CCC(=O)N[C@@H]1CCC[C@@H](O)C1 ZINC000037480250 398328330 /nfs/dbraw/zinc/32/83/30/398328330.db2.gz SVOIUMGUOUJWSU-GHMZBOCLSA-N 1 0 228.336 0.794 10 0 BCAERO CC(C)[NH2+]CCC(=O)N[C@@H]1CCC[C@H](O)C1 ZINC000037480248 398328446 /nfs/dbraw/zinc/32/84/46/398328446.db2.gz SVOIUMGUOUJWSU-MNOVXSKESA-N 1 0 228.336 0.794 10 0 BCAERO COC[C@H](C)CC(=O)N1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000234689509 342933681 /nfs/dbraw/zinc/93/36/81/342933681.db2.gz ICYKYLFXORRKJY-BBBLOLIVSA-N 1 0 214.309 0.465 10 0 BCAERO [NH3+][C@@H]1CN(CC(F)(F)C(F)F)C1=O ZINC000230693669 346883853 /nfs/dbraw/zinc/88/38/53/346883853.db2.gz SWSSHLWFVWUQGE-GSVOUGTGSA-N 1 0 200.135 0.056 10 0 BCAERO C[C@@H]([NH3+])CC(=O)NCC[C@@H]1CCCO1 ZINC000038097064 398336013 /nfs/dbraw/zinc/33/60/13/398336013.db2.gz IALPUTXUSPAKFW-BDAKNGLRSA-N 1 0 200.282 0.409 10 0 BCAERO CC(C)[C@H]([NH3+])C(=O)NCC[C@H]1CCCO1 ZINC000038096911 398336074 /nfs/dbraw/zinc/33/60/74/398336074.db2.gz TXXAMQUZURZCSZ-ZJUUUORDSA-N 1 0 214.309 0.655 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N(CC)C[C@H]1CCOC1 ZINC000037827268 398334765 /nfs/dbraw/zinc/33/47/65/398334765.db2.gz FHAQGXWAXNYNIL-MNOVXSKESA-N 1 0 228.336 0.999 10 0 BCAERO CC(C)C[C@@H]([NH3+])C(=O)NCc1ccc(=O)[nH]c1 ZINC000392697671 398334802 /nfs/dbraw/zinc/33/48/02/398334802.db2.gz CYIVVQKNOQDMHE-SNVBAGLBSA-N 1 0 237.303 0.777 10 0 BCAERO COC[C@@H](C)[NH2+]C[C@@H](O)COC(C)(C)C ZINC000037847453 398334861 /nfs/dbraw/zinc/33/48/61/398334861.db2.gz BVOQEYCKWOBIEN-NXEZZACHSA-N 1 0 219.325 0.787 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)NCc1ccc(=O)[nH]c1 ZINC000392745193 398335126 /nfs/dbraw/zinc/33/51/26/398335126.db2.gz YOBOBKQWQRWRNI-QWRGUYRKSA-N 1 0 249.314 0.778 10 0 BCAERO Cc1n[nH]cc1CN1CCO[C@H](C[NH+](C)C)C1 ZINC000128221120 398339789 /nfs/dbraw/zinc/33/97/89/398339789.db2.gz AJNGCVLBKVLOFM-GFCCVEGCSA-N 1 0 238.335 0.481 10 0 BCAERO CCOC(=O)[C@H]1CCC[N@H+](CCO)CC1 ZINC000260623041 398340707 /nfs/dbraw/zinc/34/07/07/398340707.db2.gz RIKOTQAUJQJSSD-JTQLQIEISA-N 1 0 215.293 0.644 10 0 BCAERO CO[C@H]1CCN(C(=O)[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000234801030 342954914 /nfs/dbraw/zinc/95/49/14/342954914.db2.gz LFNAVLPGPIIGBH-KXUCPTDWSA-N 1 0 212.293 0.089 10 0 BCAERO CCC[C@@H](O)CNC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000233295799 259335093 /nfs/dbraw/zinc/33/50/93/259335093.db2.gz WMMIDRJSNLSTFS-OPRDCNLKSA-N 1 0 214.309 0.119 10 0 BCAERO C(CN1CCOCC1)[NH2+][C@@H]1CCSC1 ZINC000019953938 342964295 /nfs/dbraw/zinc/96/42/95/342964295.db2.gz LOXHIXLOWSARCA-SNVBAGLBSA-N 1 0 216.350 0.414 10 0 BCAERO CCN1CCC[C@H]1C[NH2+]CC(=O)N(C)C ZINC000020054265 342967501 /nfs/dbraw/zinc/96/75/01/342967501.db2.gz YBQBTVSSJOXAQA-JTQLQIEISA-N 1 0 213.325 0.149 10 0 BCAERO CC(C)(O)C[NH2+]CC(C)(C)OCCO ZINC000308523493 259339930 /nfs/dbraw/zinc/33/99/30/259339930.db2.gz ZINSKVZGOYXISM-UHFFFAOYSA-N 1 0 205.298 0.134 10 0 BCAERO COCCN(C)C(=O)CC[C@H]1CCC[NH2+]1 ZINC000261529077 536761048 /nfs/dbraw/zinc/76/10/48/536761048.db2.gz AHFXWFUOURNJFS-SNVBAGLBSA-N 1 0 214.309 0.623 10 0 BCAERO COc1cc(C[NH3+])cc(Cl)c1OCC(N)=O ZINC000022142588 343042305 /nfs/dbraw/zinc/04/23/05/343042305.db2.gz UZABTEHUVUYDOA-UHFFFAOYSA-N 1 0 244.678 0.671 10 0 BCAERO C[C@]1(C(=O)NCC2C[NH2+]C2)CC1(Cl)Cl ZINC000307384924 352535113 /nfs/dbraw/zinc/53/51/13/352535113.db2.gz JDMWQBNFNIIAIO-MRVPVSSYSA-N 1 0 237.130 0.906 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@@H]1CCCOCC1 ZINC000309556814 259343604 /nfs/dbraw/zinc/34/36/04/259343604.db2.gz MVWWVCDEAUGAFO-GMTAPVOTSA-N 1 0 226.320 0.527 10 0 BCAERO Cc1cnn(CCNC(=O)CC[C@H](C)[NH3+])c1 ZINC000235468494 343038772 /nfs/dbraw/zinc/03/87/72/343038772.db2.gz MBTYHCAXVLMGCC-JTQLQIEISA-N 1 0 224.308 0.435 10 0 BCAERO C[C@H](O)CCN(C)C(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000235542281 343048279 /nfs/dbraw/zinc/04/82/79/343048279.db2.gz FBJBABIVCPMZIO-KXUCPTDWSA-N 1 0 214.309 0.071 10 0 BCAERO Cc1cnn(CCNC(=O)[C@@H]2CC[NH2+][C@@H]2C)c1 ZINC000235598387 343048333 /nfs/dbraw/zinc/04/83/33/343048333.db2.gz VFMXMCKMDFXYHI-GHMZBOCLSA-N 1 0 236.319 0.306 10 0 BCAERO Cc1cc([C@H]2OC[C@H](C[NH3+])O2)sn1 ZINC000404423613 343055389 /nfs/dbraw/zinc/05/53/89/343055389.db2.gz VPOVMDGHXKVGJT-XPUUQOCRSA-N 1 0 200.263 0.824 10 0 BCAERO CCOC(=O)c1cnn2c1[C@@H](C[NH3+])CCC2 ZINC000584880570 343081292 /nfs/dbraw/zinc/08/12/92/343081292.db2.gz HNLWLZKDOKQMCI-MRVPVSSYSA-N 1 0 223.276 0.896 10 0 BCAERO CCC1(N2CC[NH2+]CC2)CCS(=O)(=O)CC1 ZINC000584882430 343084597 /nfs/dbraw/zinc/08/45/97/343084597.db2.gz HHHHSYVGQDDUTH-UHFFFAOYSA-N 1 0 246.376 0.249 10 0 BCAERO CC[NH2+]C[C@H](O)C[C@@](O)(CC)C1CC1 ZINC000584883077 343085954 /nfs/dbraw/zinc/08/59/54/343085954.db2.gz GHXFCWPKXGDWGZ-MNOVXSKESA-N 1 0 201.310 0.898 10 0 BCAERO CC[C@@]1(C(=O)OC)NCCc2nc[nH]c21 ZINC000584883877 343086806 /nfs/dbraw/zinc/08/68/06/343086806.db2.gz UNHWGRNJFQXYJJ-SNVBAGLBSA-N 1 0 209.249 0.334 10 0 BCAERO COCC(=O)NCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000584883865 343086961 /nfs/dbraw/zinc/08/69/61/343086961.db2.gz SLOSGSVWAMZVAP-PBINXNQUSA-N 1 0 212.293 0.280 10 0 BCAERO C[C@H]([NH3+])Cc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000063024816 343074462 /nfs/dbraw/zinc/07/44/62/343074462.db2.gz DBYIEESZVDLHBC-VIFPVBQESA-N 1 0 242.344 0.827 10 0 BCAERO [NH3+][C@@H]1CN(Cc2ccccc2)CC[C@H]1O ZINC000147822537 343075912 /nfs/dbraw/zinc/07/59/12/343075912.db2.gz WBYKRESBRFTKBV-VXGBXAGGSA-N 1 0 206.289 0.581 10 0 BCAERO O=C(N[C@H]1CCC[C@H](O)C1)[C@H]1CC[NH2+]C1 ZINC000309535048 343078032 /nfs/dbraw/zinc/07/80/32/343078032.db2.gz WWGAIBPYRKYLQQ-GUBZILKMSA-N 1 0 212.293 0.016 10 0 BCAERO CC(C)(C)OC(=O)[C@@H]1CC[NH2+]CCN1 ZINC000026896642 343110736 /nfs/dbraw/zinc/11/07/36/343110736.db2.gz MIKHWQZLGQQLTG-QMMMGPOBSA-N 1 0 200.282 0.280 10 0 BCAERO C[NH2+][C@H](C)C(=O)N(C)C[C@H]1CCCOC1 ZINC000082545371 362057033 /nfs/dbraw/zinc/05/70/33/362057033.db2.gz YSCPKCGDXOUMEF-NXEZZACHSA-N 1 0 214.309 0.479 10 0 BCAERO CCNC(=O)N1CC[C@H]([NH2+]CC(C)(C)O)C1 ZINC000309962339 343109748 /nfs/dbraw/zinc/10/97/48/343109748.db2.gz LWLHYKLVYTYFKT-VIFPVBQESA-N 1 0 229.324 0.151 10 0 BCAERO CNC(=O)CCC[N@@H+]1CCC[C@H]1CCCO ZINC000082673109 362098241 /nfs/dbraw/zinc/09/82/41/362098241.db2.gz BOWLSWROLZPVLA-NSHDSACASA-N 1 0 228.336 0.750 10 0 BCAERO CNC(=O)CCC[N@@H+]1CCC[C@@H]1CCCO ZINC000082673108 362098326 /nfs/dbraw/zinc/09/83/26/362098326.db2.gz BOWLSWROLZPVLA-LLVKDONJSA-N 1 0 228.336 0.750 10 0 BCAERO C[C@H](C(N)=S)[N@@H+]1CCC[C@H](CO)C1 ZINC000043514116 343115477 /nfs/dbraw/zinc/11/54/77/343115477.db2.gz CGJJENJZKHMGKK-SFYZADRCSA-N 1 0 202.323 0.365 10 0 BCAERO C[C@@H](C(N)=S)[N@H+](C)C1CCN(C)CC1 ZINC000043513888 343115592 /nfs/dbraw/zinc/11/55/92/343115592.db2.gz MJRIDPGRAZYPNO-QMMMGPOBSA-N 1 0 215.366 0.687 10 0 BCAERO CC[C@@H](C(N)=S)[N@@H+]1CCOC[C@@H]1C ZINC000043539826 343132520 /nfs/dbraw/zinc/13/25/20/343132520.db2.gz VVCLJJYYGCTZFX-YUMQZZPRSA-N 1 0 202.323 0.772 10 0 BCAERO CCCCC(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000096054463 534933421 /nfs/dbraw/zinc/93/34/21/534933421.db2.gz CPKSHCOMCSJASL-VHSXEESVSA-N 1 0 212.293 0.376 10 0 BCAERO CC(C)(C)OC(=O)N1C[C@@H]2OCC[NH2+]C[C@H]2C1 ZINC000238182858 259352962 /nfs/dbraw/zinc/35/29/62/259352962.db2.gz XAZLYQXWLXXDDU-UWVGGRQHSA-N 1 0 242.319 0.842 10 0 BCAERO CC(=O)c1cnc(N2CC[NH2+]CC2)nc1C ZINC000040543888 534933764 /nfs/dbraw/zinc/93/37/64/534933764.db2.gz VFNHZHIXOGFDJA-UHFFFAOYSA-N 1 0 220.276 0.397 10 0 BCAERO Cc1nsc(NC(=O)[C@H]2CC[NH2+]C2)n1 ZINC000131771368 343184356 /nfs/dbraw/zinc/18/43/56/343184356.db2.gz JMSUAFJWSTTXST-LURJTMIESA-N 1 0 212.278 0.395 10 0 BCAERO O=C(CCC[NH2+][C@@H]1CCCC[C@H]1O)NC1CC1 ZINC000092988183 343150691 /nfs/dbraw/zinc/15/06/91/343150691.db2.gz VVRMSRLRIWSNFX-VXGBXAGGSA-N 1 0 240.347 0.938 10 0 BCAERO CC[C@@H](CCO)CNC(=O)C[C@H]1CCC[NH2+]C1 ZINC000094955763 343154512 /nfs/dbraw/zinc/15/45/12/343154512.db2.gz XAEXIVDWJAACJT-NWDGAFQWSA-N 1 0 242.363 0.901 10 0 BCAERO COC(=O)c1ccc(N(C)[C@@H]2CC[NH2+]C2)nc1C ZINC000124438404 343167787 /nfs/dbraw/zinc/16/77/87/343167787.db2.gz BTQZEGDGSWSDQH-SNVBAGLBSA-N 1 0 249.314 0.975 10 0 BCAERO COC(=O)c1ccc(N(C)[C@H]2CC[NH2+]C2)nc1C ZINC000124438624 343168020 /nfs/dbraw/zinc/16/80/20/343168020.db2.gz BTQZEGDGSWSDQH-JTQLQIEISA-N 1 0 249.314 0.975 10 0 BCAERO [NH3+]C1(C(=O)N[C@@H]2CC=CCC2)CCOCC1 ZINC000149742818 343196591 /nfs/dbraw/zinc/19/65/91/343196591.db2.gz UXGMRAFCPUXDTE-SNVBAGLBSA-N 1 0 224.304 0.719 10 0 BCAERO CCC[C@H](O)CNC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000158155392 343201042 /nfs/dbraw/zinc/20/10/42/343201042.db2.gz DBIKUOVHBABQOF-GUBZILKMSA-N 1 0 214.309 0.391 10 0 BCAERO C[C@H]([NH3+])C[C@H](C)Nc1ccc(C(N)=O)nn1 ZINC000165743876 343212427 /nfs/dbraw/zinc/21/24/27/343212427.db2.gz JFXPOOSLBPDPAK-BQBZGAKWSA-N 1 0 223.280 0.113 10 0 BCAERO COC[C@H]([NH3+])C(=O)N1CCC[C@H](C)CC1 ZINC000088004348 536859435 /nfs/dbraw/zinc/85/94/35/536859435.db2.gz SKNNAIJZCZVXRB-UWVGGRQHSA-N 1 0 214.309 0.609 10 0 BCAERO CC[C@H](O)C[N@@H+]1CCCN(C)C[C@@H]1C ZINC000234047492 343215402 /nfs/dbraw/zinc/21/54/02/343215402.db2.gz GNLKPFVPNPXHFY-QWRGUYRKSA-N 1 0 200.326 0.783 10 0 BCAERO CC[C@H]([NH3+])c1c(Br)nnn1C ZINC000234046906 343215563 /nfs/dbraw/zinc/21/55/63/343215563.db2.gz QKAUQBBEYQODSA-BYPYZUCNSA-N 1 0 219.086 0.987 10 0 BCAERO C[NH2+][C@H](C)C(=O)N1CCS[C@H](C)[C@H]1C ZINC000132387732 343188233 /nfs/dbraw/zinc/18/82/33/343188233.db2.gz UPRYNAWHBWBVBK-IWSPIJDZSA-N 1 0 216.350 0.947 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N1CCCC1 ZINC000135194559 343192739 /nfs/dbraw/zinc/19/27/39/343192739.db2.gz ZKHSOHYFJRJUDF-UWVGGRQHSA-N 1 0 241.335 0.241 10 0 BCAERO NNc1[nH+]cc(Br)cc1C(N)=O ZINC000051121967 346931136 /nfs/dbraw/zinc/93/11/36/346931136.db2.gz OCXSWKVFQYOIFG-UHFFFAOYSA-N 1 0 231.053 0.229 10 0 BCAERO O=C(NC[C@H]1CC[NH2+]C1)[C@@H]1CCCOC1 ZINC000087654594 136282157 /nfs/dbraw/zinc/28/21/57/136282157.db2.gz RLONHWRLLZMQDL-VHSXEESVSA-N 1 0 212.293 0.139 10 0 BCAERO CC1(C)C[C@H]([NH2+][C@H]2CCOC[C@H]2O)CCO1 ZINC000634686246 343232927 /nfs/dbraw/zinc/23/29/27/343232927.db2.gz GNVVSWGMNDLNNL-OUAUKWLOSA-N 1 0 229.320 0.683 10 0 BCAERO COC[C@H]([NH3+])C(=O)Nc1nc(C2CC2)cs1 ZINC000088003815 136282871 /nfs/dbraw/zinc/28/28/71/136282871.db2.gz ZXOUCWVPPLCMQK-ZETCQYMHSA-N 1 0 241.316 0.933 10 0 BCAERO COC[C@@H]([NH3+])C(=O)NCC1CCC(C)CC1 ZINC000088004275 136283232 /nfs/dbraw/zinc/28/32/32/136283232.db2.gz GUQJJVQBOMMELM-VQXHTEKXSA-N 1 0 228.336 0.903 10 0 BCAERO CO[C@@H]1CN(C[C@@H]2CC[C@@H](C)O2)[C@@](C)(C[NH3+])C1 ZINC000634688462 343247523 /nfs/dbraw/zinc/24/75/23/343247523.db2.gz TVNBTLUWCQSGKE-MROQNXINSA-N 1 0 242.363 0.992 10 0 BCAERO CC1(C)C[N@@H+]([C@@H]2CCCC[C@@H]2O)C[C@H](CO)O1 ZINC000163649678 136279309 /nfs/dbraw/zinc/27/93/09/136279309.db2.gz CMCKSIMNZVZYCP-UTUOFQBUSA-N 1 0 243.347 0.762 10 0 BCAERO C[NH+](C)CC[C@@]1(C(N)=O)Cc2ccccc21 ZINC000238313520 343255351 /nfs/dbraw/zinc/25/53/51/343255351.db2.gz UCQNYOCLMPZSRR-CYBMUJFWSA-N 1 0 218.300 0.918 10 0 BCAERO COCCCNC(=O)c1ccc(NN)[nH+]c1 ZINC000051123299 343251864 /nfs/dbraw/zinc/25/18/64/343251864.db2.gz WFQFTGJKNGFYCU-UHFFFAOYSA-N 1 0 224.264 0.134 10 0 BCAERO COC(=O)[C@@H](C)C[N@H+](C)[C@@H]1CCOC1 ZINC000069624656 343286133 /nfs/dbraw/zinc/28/61/33/343286133.db2.gz YJCGGYFCWXGBHL-DTWKUNHWSA-N 1 0 201.266 0.516 10 0 BCAERO NNc1[nH+]c(-c2ccccc2)nc2n[nH]c(N)c21 ZINC000034240347 343266872 /nfs/dbraw/zinc/26/68/72/343266872.db2.gz FWCHZVQUXAYODE-UHFFFAOYSA-N 1 0 241.258 0.888 10 0 BCAERO C[C@]1(C(=O)NCc2ccc(=O)[nH]c2)CCC[NH2+]1 ZINC000121620192 343268465 /nfs/dbraw/zinc/26/84/65/343268465.db2.gz AWNCCNFSIFWZQI-GFCCVEGCSA-N 1 0 235.287 0.546 10 0 BCAERO O=C(C[NH2+][C@@H]1CCCC[C@H]1O)NCC1CC1 ZINC000052013085 343281202 /nfs/dbraw/zinc/28/12/02/343281202.db2.gz JSHAPQWVNCJMRL-GHMZBOCLSA-N 1 0 226.320 0.406 10 0 BCAERO C[C@@H]1C[C@@H](C)N(S(=O)(=O)CC[NH3+])C1 ZINC000157777909 343366588 /nfs/dbraw/zinc/36/65/88/343366588.db2.gz SOEFKCBHEQPXNK-HTQZYQBOSA-N 1 0 206.311 0.005 10 0 BCAERO CCS(=O)(=O)N[C@@H]1CCCC[C@@H]1[NH3+] ZINC000038050037 343368025 /nfs/dbraw/zinc/36/80/25/343368025.db2.gz VFLWDJMYKYCTDQ-JGVFFNPUSA-N 1 0 206.311 0.196 10 0 BCAERO C[C@H]1CN(S(=O)(=O)C2(C)CC2)C[C@H]1[NH3+] ZINC000335658437 136307338 /nfs/dbraw/zinc/30/73/38/136307338.db2.gz XKUHWSNYTHTKQW-JGVFFNPUSA-N 1 0 218.322 0.148 10 0 BCAERO C[C@H](O)C1CCN(C(=O)CC2([NH3+])CC2)CC1 ZINC000398178405 488213903 /nfs/dbraw/zinc/21/39/03/488213903.db2.gz RORKDIYERRXFKC-VIFPVBQESA-N 1 0 226.320 0.487 10 0 BCAERO C[NH2+]Cc1cc(C#N)nn1CC(F)F ZINC000147936817 343381929 /nfs/dbraw/zinc/38/19/29/343381929.db2.gz AFYQOFRTLHLSAL-UHFFFAOYSA-N 1 0 200.192 0.739 10 0 BCAERO Cc1c(O)c(=O)ccn1CC[NH+]1CCCC1 ZINC000039098480 343382771 /nfs/dbraw/zinc/38/27/71/343382771.db2.gz NCRWGPVJLJVQET-UHFFFAOYSA-N 1 0 222.288 0.958 10 0 BCAERO Cn1ccnc1SCC1=[NH+]CCCN1 ZINC000039108968 343384950 /nfs/dbraw/zinc/38/49/50/343384950.db2.gz AWGQSJZVFHGLEY-UHFFFAOYSA-N 1 0 210.306 0.904 10 0 BCAERO C([C@@H]1CCOC1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000082462912 343440228 /nfs/dbraw/zinc/44/02/28/343440228.db2.gz OYXRPWPMTVPOHO-NWDGAFQWSA-N 1 0 210.321 0.803 10 0 BCAERO COC[C@H](C)CNC(=O)[C@@H]1C[NH2+]C[C@@H]1C ZINC000082559983 343448369 /nfs/dbraw/zinc/44/83/69/343448369.db2.gz PIHWEQYHYBHPEH-KXUCPTDWSA-N 1 0 214.309 0.241 10 0 BCAERO COC[C@H](C)CNC(=O)[C@H]1C[NH2+]C[C@@H]1C ZINC000082559981 343448501 /nfs/dbraw/zinc/44/85/01/343448501.db2.gz PIHWEQYHYBHPEH-UTLUCORTSA-N 1 0 214.309 0.241 10 0 BCAERO CCOCCN(CC)C(=O)[C@@H]1CC[NH2+]C1 ZINC000082538375 343449283 /nfs/dbraw/zinc/44/92/83/343449283.db2.gz XCCWMPYXSFMRKF-SNVBAGLBSA-N 1 0 214.309 0.481 10 0 BCAERO CO[C@H](C)[C@@H](C)[NH2+]C[C@@H](C)N1CCOCC1 ZINC000166545758 136358833 /nfs/dbraw/zinc/35/88/33/136358833.db2.gz CDMQGNYPZAMOIM-IJLUTSLNSA-N 1 0 230.352 0.720 10 0 BCAERO [NH3+]C[C@@H]1CCCN1C(=O)CC(F)(F)F ZINC000082590096 343453881 /nfs/dbraw/zinc/45/38/81/343453881.db2.gz AMPOLHZUQJAXTD-LURJTMIESA-N 1 0 210.199 0.889 10 0 BCAERO COC[C@@H](Cn1cc(C(C)(C)[NH3+])nn1)OC ZINC000641105898 362226620 /nfs/dbraw/zinc/22/66/20/362226620.db2.gz GGPCPDBKWMSRLZ-MRVPVSSYSA-N 1 0 228.296 0.133 10 0 BCAERO C/C=C\CNC(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000395072078 362229369 /nfs/dbraw/zinc/22/93/69/362229369.db2.gz YTLKBZMHSHZUOT-PLNGDYQASA-N 1 0 225.336 0.363 10 0 BCAERO CCOC(=O)N1CCO[C@H](CC[NH3+])C1 ZINC000219944341 343444356 /nfs/dbraw/zinc/44/43/56/343444356.db2.gz XNINUMJPOJRHSN-MRVPVSSYSA-N 1 0 202.254 0.193 10 0 BCAERO Cc1nccc(N2C[C@@H](C)[NH2+]C[C@@H]2C)n1 ZINC000083119034 343473592 /nfs/dbraw/zinc/47/35/92/343473592.db2.gz MVTRCBQXQPDSMT-BDAKNGLRSA-N 1 0 206.293 0.972 10 0 BCAERO C[C@@H](C[NH3+])CNc1ccnc(N(C)C)n1 ZINC000083387518 343480169 /nfs/dbraw/zinc/48/01/69/343480169.db2.gz SHOJCXHMGOWONV-QMMMGPOBSA-N 1 0 209.297 0.549 10 0 BCAERO OCCC[NH2+]Cc1cnc2ccnn2c1 ZINC000308951459 346942240 /nfs/dbraw/zinc/94/22/40/346942240.db2.gz VGLITALQNWCILS-UHFFFAOYSA-N 1 0 206.249 0.201 10 0 BCAERO C[NH2+][C@H](C)C(=O)N[C@H]1CCO[C@@H](C)C1 ZINC000234432476 343497781 /nfs/dbraw/zinc/49/77/81/343497781.db2.gz URMJDRBETBPAEM-YIZRAAEISA-N 1 0 200.282 0.278 10 0 BCAERO OCCN1CCO[C@@H](c2cnco2)CC1 ZINC000616596539 343519294 /nfs/dbraw/zinc/51/92/94/343519294.db2.gz ZQWBYCICMSTZKD-SECBINFHSA-N 1 0 212.249 0.430 10 0 BCAERO COC[C@H](C)[NH2+]CCC(=O)OC(C)C ZINC000379567676 343576683 /nfs/dbraw/zinc/57/66/83/343576683.db2.gz DSLXYDXHEDYSQQ-VIFPVBQESA-N 1 0 203.282 0.953 10 0 BCAERO COc1cc(N)ccc1N[C@@H]1C[NH2+]C[C@H]1O ZINC000204076651 343557115 /nfs/dbraw/zinc/55/71/15/343557115.db2.gz DMNXNLJQDBPYAP-NXEZZACHSA-N 1 0 223.276 0.022 10 0 BCAERO COC(=O)[C@@H]1C[N@@H+]([C@@H](C)C(C)C)CCO1 ZINC000319554662 343631052 /nfs/dbraw/zinc/63/10/52/343631052.db2.gz JYQNHWCXIKSZGZ-UWVGGRQHSA-N 1 0 215.293 0.905 10 0 BCAERO O=S1(=O)CC[C@]2(C1)[NH2+]CCc1ccsc12 ZINC000712590276 537795133 /nfs/dbraw/zinc/79/51/33/537795133.db2.gz FYQZFGVZPSCVNX-SNVBAGLBSA-N 1 0 243.353 0.908 10 0 BCAERO C[C@@H]1CN2C(=[NH+]CC[C@@H]2[C@H]2CCOC2)N1 ZINC000300016736 537801327 /nfs/dbraw/zinc/80/13/27/537801327.db2.gz OFKXMJFBNSMUAL-KXUCPTDWSA-N 1 0 209.293 0.445 10 0 BCAERO CC[NH+](CC)[C@@H](C)CNC(=O)C(C)(C)[NH3+] ZINC000379945376 343658597 /nfs/dbraw/zinc/65/85/97/343658597.db2.gz CVTKPEXINVZFRN-VIFPVBQESA-N 1 0 215.341 0.570 10 0 BCAERO COC[C@@H]([NH3+])C(=O)NC(C1CC1)C1CC1 ZINC000088003631 343689941 /nfs/dbraw/zinc/68/99/41/343689941.db2.gz CWCLUPOPVBELSK-SECBINFHSA-N 1 0 212.293 0.265 10 0 BCAERO C[C@@H](NC(=O)C1([NH3+])CCC1)[C@H]1CCCO1 ZINC000088050336 343698201 /nfs/dbraw/zinc/69/82/01/343698201.db2.gz BZMWXKNQNSWMTA-RKDXNWHRSA-N 1 0 212.293 0.552 10 0 BCAERO COC[C@@H]([NH3+])C(=O)Nc1ccccc1F ZINC000088002375 343689388 /nfs/dbraw/zinc/68/93/88/343689388.db2.gz JRFJUHHKUUKXJY-MRVPVSSYSA-N 1 0 212.224 0.738 10 0 BCAERO COC[C@@H]([NH3+])C(=O)Nc1ccccc1C ZINC000088002483 343689412 /nfs/dbraw/zinc/68/94/12/343689412.db2.gz TXUBMONZYVEZPU-SECBINFHSA-N 1 0 208.261 0.907 10 0 BCAERO COC[C@H]([NH3+])C(=O)Nc1cccc(C)n1 ZINC000088002517 343689664 /nfs/dbraw/zinc/68/96/64/343689664.db2.gz YVQXOEVQQFOPOY-QMMMGPOBSA-N 1 0 209.249 0.302 10 0 BCAERO CCC[C@H]([NH3+])C(=O)NC[C@@H](O)[C@H](C)CC ZINC000261592443 349850523 /nfs/dbraw/zinc/85/05/23/349850523.db2.gz VWUBNEVWKYBMMV-KXUCPTDWSA-N 1 0 216.325 0.637 10 0 BCAERO CCCCOC[C@@H](O)C[N@@H+]1CC[C@](C)(O)C1 ZINC000309122596 346968605 /nfs/dbraw/zinc/96/86/05/346968605.db2.gz QTGHLXDDUVQWOU-RYUDHWBXSA-N 1 0 231.336 0.621 10 0 BCAERO CO[C@@H]1C[C@@H](CO)[N@H+](CC[C@@H]2CCOC2)C1 ZINC000344056107 343756568 /nfs/dbraw/zinc/75/65/68/343756568.db2.gz IFEIKUREVGXXQP-GRYCIOLGSA-N 1 0 229.320 0.495 10 0 BCAERO [NH3+]CC(=O)[C@H]1CCO[C@]2(CCSC2)C1 ZINC000167762332 346965710 /nfs/dbraw/zinc/96/57/10/346965710.db2.gz GRNIRPRDUBUTRO-WCBMZHEXSA-N 1 0 215.318 0.817 10 0 BCAERO CCOC[C@@H]1CCN(C(=O)[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000262609101 349858197 /nfs/dbraw/zinc/85/81/97/349858197.db2.gz ABAQLMCJZJAYKG-UTUOFQBUSA-N 1 0 240.347 0.999 10 0 BCAERO C[NH2+][C@@H](C)c1nc2c(c(=O)[nH]1)COCC2 ZINC000208820389 343855648 /nfs/dbraw/zinc/85/56/48/343855648.db2.gz GMDMBHVRDATUEM-LURJTMIESA-N 1 0 209.249 0.123 10 0 BCAERO C[N@@H+]1CCCN(c2cc(N)ns2)CC1 ZINC000234321385 343940828 /nfs/dbraw/zinc/94/08/28/343940828.db2.gz RYXKBAMFDZBBHJ-UHFFFAOYSA-N 1 0 212.322 0.867 10 0 BCAERO CCc1nc(C)cc(N2CCN(C)C[C@H]2C[NH3+])n1 ZINC000381053283 343914383 /nfs/dbraw/zinc/91/43/83/343914383.db2.gz RXWKPGCXKPGJQH-LLVKDONJSA-N 1 0 249.362 0.427 10 0 BCAERO [NH3+]Cc1cn(CCO[C@@H]2CC2(F)F)nn1 ZINC000641186055 362261719 /nfs/dbraw/zinc/26/17/19/362261719.db2.gz WEPFMWPHXXDGNV-SSDOTTSWSA-N 1 0 218.207 0.161 10 0 BCAERO CC(C)(C)CS(=O)(=O)N1CC([NH3+])C1 ZINC000070633810 343953565 /nfs/dbraw/zinc/95/35/65/343953565.db2.gz LMIYUMQXTKQOGZ-UHFFFAOYSA-N 1 0 206.311 0.005 10 0 BCAERO O=C(NC[C@@H]1CCCC[C@H]1O)[C@@H]1CCC[NH2+]1 ZINC000082995320 133514071 /nfs/dbraw/zinc/51/40/71/133514071.db2.gz FJZCHQYSUKAIJS-GARJFASQSA-N 1 0 226.320 0.406 10 0 BCAERO C[C@H]([NH3+])CC(=O)NC[C@H]1CCCC[C@@H]1O ZINC000082995346 133514165 /nfs/dbraw/zinc/51/41/65/133514165.db2.gz DLUBULFOEDCLEJ-AEJSXWLSSA-N 1 0 214.309 0.391 10 0 BCAERO [NH3+]CCC(=O)NC[C@H]1CCCC[C@@H]1O ZINC000082995146 133514173 /nfs/dbraw/zinc/51/41/73/133514173.db2.gz ZHHPYPTZNWPHHV-BDAKNGLRSA-N 1 0 200.282 0.003 10 0 BCAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCCCO ZINC000094467907 537839399 /nfs/dbraw/zinc/83/93/99/537839399.db2.gz OBDORLNQHBDROL-VXGBXAGGSA-N 1 0 240.347 0.844 10 0 BCAERO C[C@@H]1C[C@H]1NC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634742141 344163235 /nfs/dbraw/zinc/16/32/35/344163235.db2.gz BCYINXNGMIPMJO-KLBPJQLPSA-N 1 0 208.305 0.901 10 0 BCAERO C[C@H]1C[C@@H]1NC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634742139 344163451 /nfs/dbraw/zinc/16/34/51/344163451.db2.gz BCYINXNGMIPMJO-GMOBBJLQSA-N 1 0 208.305 0.901 10 0 BCAERO O=C(C1CCOCC1)N1CCC2(C[NH2+]C2)CC1 ZINC000616569619 344171073 /nfs/dbraw/zinc/17/10/73/344171073.db2.gz BIHDAWMBXWKGNJ-UHFFFAOYSA-N 1 0 238.331 0.625 10 0 BCAERO CC(=O)N[C@H]1C[NH2+]CC[C@@H]1C(F)(F)F ZINC000616570210 344171624 /nfs/dbraw/zinc/17/16/24/344171624.db2.gz FOMNDTMPAWOGER-BQBZGAKWSA-N 1 0 210.199 0.663 10 0 BCAERO O=C(N1CCOCC1)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634735313 344121861 /nfs/dbraw/zinc/12/18/61/344121861.db2.gz BZPRAGPXCRZEHC-JQWIXIFHSA-N 1 0 224.304 0.235 10 0 BCAERO COCCNC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634735290 344122493 /nfs/dbraw/zinc/12/24/93/344122493.db2.gz BFMGGSOVJBLPCA-ONGXEEELSA-N 1 0 212.293 0.139 10 0 BCAERO C[C@@H]1CN(C(=O)[C@]23CCC[C@H]2C[NH2+]C3)CCO1 ZINC000634736675 344127092 /nfs/dbraw/zinc/12/70/92/344127092.db2.gz VQLZQQWJWBOCJZ-MDZLAQPJSA-N 1 0 238.331 0.623 10 0 BCAERO CC(C)(O)C[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000082995158 362359873 /nfs/dbraw/zinc/35/98/73/362359873.db2.gz VGASMOHLMMBQLD-VHSXEESVSA-N 1 0 201.310 0.898 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)N2CCC[C@H]3C[NH2+]C[C@H]32)O1 ZINC000299921450 344148802 /nfs/dbraw/zinc/14/88/02/344148802.db2.gz QBAAPTSZROYTSI-WRWGMCAJSA-N 1 0 238.331 0.764 10 0 BCAERO [NH3+][C@H]1COC[C@H]1c1csc(CO)n1 ZINC000165844061 344156372 /nfs/dbraw/zinc/15/63/72/344156372.db2.gz GNNXVMUWYOCNMG-RITPCOANSA-N 1 0 200.263 0.077 10 0 BCAERO Cn1nncc1C[NH2+]C[C@@H]1CCC[C@H]1O ZINC000129786726 344215440 /nfs/dbraw/zinc/21/54/40/344215440.db2.gz RZXBUUQYKKELMN-WCBMZHEXSA-N 1 0 210.281 0.066 10 0 BCAERO CC(C)(O)C[N@@H+]1CCC[C@H](CS(C)(=O)=O)C1 ZINC000336676559 192069320 /nfs/dbraw/zinc/06/93/20/192069320.db2.gz PUUNKJQHURXVFO-JTQLQIEISA-N 1 0 249.376 0.514 10 0 BCAERO CCC(=O)Nc1ccc([C@@H](O)[C@H]([NH3+])CO)cc1 ZINC000616573828 344186043 /nfs/dbraw/zinc/18/60/43/344186043.db2.gz UGFRHZCWEIFULZ-ZYHUDNBSSA-N 1 0 238.287 0.388 10 0 BCAERO CC[C@@H](O)CCNC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634748856 344186564 /nfs/dbraw/zinc/18/65/64/344186564.db2.gz UGAQAYKIVHUOLU-LOWVWBTDSA-N 1 0 240.347 0.653 10 0 BCAERO CN(C(=O)[C@]12CCC[C@H]1C[NH2+]C2)[C@@H]1CCOC1 ZINC000634749325 344189399 /nfs/dbraw/zinc/18/93/99/344189399.db2.gz OKALLHHEHZIQHU-LOWVWBTDSA-N 1 0 238.331 0.623 10 0 BCAERO O[C@@]1(COc2ccccc2)C[NH2+]CCOC1 ZINC000616577489 344200799 /nfs/dbraw/zinc/20/07/99/344200799.db2.gz FXMMGICCTCUMQR-LBPRGKRZSA-N 1 0 223.272 0.416 10 0 BCAERO CN(Cc1cc[nH]n1)C(=O)[C@@]1(C)CCC[NH2+]1 ZINC000400057377 344267298 /nfs/dbraw/zinc/26/72/98/344267298.db2.gz ZZRYVUAZBXSWEN-LLVKDONJSA-N 1 0 222.292 0.510 10 0 BCAERO CN1CCN(C(=O)[C@]23CCC[C@H]2C[NH2+]C3)CC1 ZINC000634770379 344284537 /nfs/dbraw/zinc/28/45/37/344284537.db2.gz JPCLEDUGDMWJEH-AAEUAGOBSA-N 1 0 237.347 0.150 10 0 BCAERO O=C(NC[C@@H]1CC[NH2+]C1)[C@]12CCC[C@H]1OCC2 ZINC000634770630 344285215 /nfs/dbraw/zinc/28/52/15/344285215.db2.gz SBUZOPOVSDRJOS-WZRBSPASSA-N 1 0 238.331 0.671 10 0 BCAERO C[C@@H]1CN(C(=O)[C@]23CCC[C@H]2OCC3)C[C@H]1[NH3+] ZINC000634771137 344285699 /nfs/dbraw/zinc/28/56/99/344285699.db2.gz JTUGBEMKGYFJGD-UZWSLXQKSA-N 1 0 238.331 0.751 10 0 BCAERO O=C(C[C@@H]1CCC[NH2+]C1)N1C[C@@H]2COC[C@@H]2C1 ZINC000634773840 344292777 /nfs/dbraw/zinc/29/27/77/344292777.db2.gz SMGMQJKKFDESRS-SDDRHHMPSA-N 1 0 238.331 0.481 10 0 BCAERO COCCCC[N@@H+]1CCO[C@@H](CO)C1 ZINC000133125829 344313300 /nfs/dbraw/zinc/31/33/00/344313300.db2.gz MKFMNADTDZRQFB-SNVBAGLBSA-N 1 0 203.282 0.106 10 0 BCAERO C[C@@H](C[NH2+]C[C@@H](O)C(C)(C)C)N(C)C ZINC000388720390 347048802 /nfs/dbraw/zinc/04/88/02/347048802.db2.gz VLOPIUAVUVZQHO-VHSXEESVSA-N 1 0 202.342 0.933 10 0 BCAERO O=C1NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2N1 ZINC000101699653 344424494 /nfs/dbraw/zinc/42/44/94/344424494.db2.gz MKRRMQOMXHPBQZ-QWRGUYRKSA-N 1 0 245.282 0.326 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)N2C[C@H](C)[C@H]([NH3+])C2)O1 ZINC000300047410 344380552 /nfs/dbraw/zinc/38/05/52/344380552.db2.gz DICJFTDVLAIDII-SGIHWFKDSA-N 1 0 212.293 0.360 10 0 BCAERO CCn1ccnc1CN1C[C@H](C)[C@H]([NH3+])C1 ZINC000300049517 344380652 /nfs/dbraw/zinc/38/06/52/344380652.db2.gz SIXPAJOLHSVPPJ-VHSXEESVSA-N 1 0 208.309 0.682 10 0 BCAERO COC[C@H](C)CC(=O)N1C[C@H](C)[C@H]([NH3+])C1 ZINC000300048192 344380661 /nfs/dbraw/zinc/38/06/61/344380661.db2.gz ICYKYLFXORRKJY-KXUCPTDWSA-N 1 0 214.309 0.465 10 0 BCAERO CCO[C@H]1CC2(CC[C@@H]1[NH2+]C)OCCO2 ZINC000044046430 344382807 /nfs/dbraw/zinc/38/28/07/344382807.db2.gz OCJBHLSVHKLVOO-UWVGGRQHSA-N 1 0 215.293 0.907 10 0 BCAERO CCO[C@H]1CC2(CC[C@H]1[NH2+]C)OCCO2 ZINC000044046438 344382937 /nfs/dbraw/zinc/38/29/37/344382937.db2.gz OCJBHLSVHKLVOO-ZJUUUORDSA-N 1 0 215.293 0.907 10 0 BCAERO Nc1nc(N2CC[NH2+]CC2)nc2ccccc12 ZINC000150303552 344388620 /nfs/dbraw/zinc/38/86/20/344388620.db2.gz SUTPLPLDVCQYBI-UHFFFAOYSA-N 1 0 229.287 0.622 10 0 BCAERO CC(C)N1CC[NH+]([C@H](C)[C@H](C)O)CC1 ZINC000044132909 344399614 /nfs/dbraw/zinc/39/96/14/344399614.db2.gz BXVGNFRLZGOHGD-MNOVXSKESA-N 1 0 200.326 0.782 10 0 BCAERO O=C([C@H]1CCC[NH2+]C1)N1CCCSCC1 ZINC000042444636 344453822 /nfs/dbraw/zinc/45/38/22/344453822.db2.gz FOVSDLMBDHKSBQ-JTQLQIEISA-N 1 0 228.361 0.952 10 0 BCAERO OCCN1CCC[C@@H]([NH2+]Cc2nccs2)C1 ZINC000381509123 344514940 /nfs/dbraw/zinc/51/49/40/344514940.db2.gz VEIQLZWYTVRVSQ-SNVBAGLBSA-N 1 0 241.360 0.689 10 0 BCAERO Cc1nn(C)c(N(C)C)c1C[NH2+][C@H](C)CO ZINC000381615945 344525953 /nfs/dbraw/zinc/52/59/53/344525953.db2.gz VHJBUNHRJOQKNM-MRVPVSSYSA-N 1 0 226.324 0.265 10 0 BCAERO CSCCNC(=O)[C@H]1CCC[NH2+]C1 ZINC000069013633 344537022 /nfs/dbraw/zinc/53/70/22/344537022.db2.gz LARILBAJGGTIBE-QMMMGPOBSA-N 1 0 202.323 0.465 10 0 BCAERO CSCCNC(=O)[C@@H]([NH3+])C1CCOCC1 ZINC000381700351 344537555 /nfs/dbraw/zinc/53/75/55/344537555.db2.gz IHNFVPSLBLUFAK-VIFPVBQESA-N 1 0 232.349 0.220 10 0 BCAERO CCC[C@H]([NH3+])C(=O)NCCc1cccnc1 ZINC000037718412 344574605 /nfs/dbraw/zinc/57/46/05/344574605.db2.gz LGHCJXPCPNYGKR-NSHDSACASA-N 1 0 221.304 0.868 10 0 BCAERO CCC[C@H]([NH3+])C(=O)NCCCCOC ZINC000044659918 344545147 /nfs/dbraw/zinc/54/51/47/344545147.db2.gz NZVUNMWXBVAAFC-VIFPVBQESA-N 1 0 202.298 0.657 10 0 BCAERO C[C@H](CO)NC(=O)[C@]1(C)CCCC[NH2+]1 ZINC000127477032 344546188 /nfs/dbraw/zinc/54/61/88/344546188.db2.gz BKQMATVIOALCIE-SCZZXKLOSA-N 1 0 200.282 0.016 10 0 BCAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)N(C)CCCC(=O)OC ZINC000037813203 344591749 /nfs/dbraw/zinc/59/17/49/344591749.db2.gz MLAGAKWSSDXNIF-MWLCHTKSSA-N 1 0 244.335 0.771 10 0 BCAERO Cc1nnc2c(NC[C@H](C)C[NH3+])nccn12 ZINC000083387560 133524689 /nfs/dbraw/zinc/52/46/89/133524689.db2.gz VUSQHXPLKWVWQL-SSDOTTSWSA-N 1 0 220.280 0.439 10 0 BCAERO Cc1c(C[NH2+]CC2(CO)CC2)cnn1C ZINC000168838029 537848678 /nfs/dbraw/zinc/84/86/78/537848678.db2.gz DQYLZMQUHSVUMH-UHFFFAOYSA-N 1 0 209.293 0.591 10 0 BCAERO CCC[N@@H+]1CC[C@]2(C1)NCCc1nc[nH]c12 ZINC000400386590 537854013 /nfs/dbraw/zinc/85/40/13/537854013.db2.gz IGZYESHZSPIRMJ-GFCCVEGCSA-N 1 0 220.320 0.866 10 0 BCAERO NC(=O)[C@@H]([NH3+])Cn1ccc2ccccc21 ZINC000127811078 344658097 /nfs/dbraw/zinc/65/80/97/344658097.db2.gz CNSVFNZSMGIGEV-VIFPVBQESA-N 1 0 203.245 0.454 10 0 BCAERO C[C@H]([NH3+])CC(=O)N[C@H]1CCCSC1 ZINC000158507785 344669145 /nfs/dbraw/zinc/66/91/45/344669145.db2.gz YIJGTIXXIALSDB-YUMQZZPRSA-N 1 0 202.323 0.736 10 0 BCAERO [NH3+]Cc1ccc(CN2CCOCC2)cn1 ZINC000238621282 344697809 /nfs/dbraw/zinc/69/78/09/344697809.db2.gz MMDADHCUYBCCBG-UHFFFAOYSA-N 1 0 207.277 0.373 10 0 BCAERO C[C@@H](C(N)=S)[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000221211085 344703468 /nfs/dbraw/zinc/70/34/68/344703468.db2.gz SILJKJDBGONGPF-RNJXMRFFSA-N 1 0 202.323 0.770 10 0 BCAERO C[C@H](C[NH3+])C(=O)N(CCO)Cc1ccccc1 ZINC000050515681 344703969 /nfs/dbraw/zinc/70/39/69/344703969.db2.gz RKKBHORKGITCMJ-LLVKDONJSA-N 1 0 236.315 0.602 10 0 BCAERO CC(C)N(C)C(=O)CN1CC[C@](C)(C[NH3+])C1 ZINC000261577067 534967960 /nfs/dbraw/zinc/96/79/60/534967960.db2.gz KVSNXSHLXPISNN-GFCCVEGCSA-N 1 0 227.352 0.524 10 0 BCAERO Cc1nc(Cl)cc(=O)n1CC[NH+](C)C ZINC000166218725 344802533 /nfs/dbraw/zinc/80/25/33/344802533.db2.gz RHVLMYOZHBOCBN-UHFFFAOYSA-N 1 0 215.684 0.767 10 0 BCAERO C[C@@H](CN1C[C@@H]([NH3+])C1=O)c1nccs1 ZINC000235136181 344806448 /nfs/dbraw/zinc/80/64/48/344806448.db2.gz QMWSBLFPRJBRGO-NKWVEPMBSA-N 1 0 211.290 0.416 10 0 BCAERO CC(C)[N@@H+]1CC[C@@]2(C1)NCCc1nc[nH]c12 ZINC000400650149 537863313 /nfs/dbraw/zinc/86/33/13/537863313.db2.gz QARLFJGRFPAVAY-LBPRGKRZSA-N 1 0 220.320 0.865 10 0 BCAERO COC(=O)c1ccc(N2C[C@@H]([NH3+])C[C@@H]2C)nn1 ZINC000600962630 344817838 /nfs/dbraw/zinc/81/78/38/344817838.db2.gz HOEDMNHRAADMRL-YUMQZZPRSA-N 1 0 236.275 0.189 10 0 BCAERO CC(C)[C@@H](C)NC(=O)NC[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000675053190 537863712 /nfs/dbraw/zinc/86/37/12/537863712.db2.gz FFERFLCUZGUCHY-ZNSHCXBVSA-N 1 0 225.336 0.796 10 0 BCAERO C[C@H]1CN(C[C@H]2C[C@H]([NH3+])C2)C[C@H](C)S1(=O)=O ZINC000675053259 537864575 /nfs/dbraw/zinc/86/45/75/537864575.db2.gz GTPIZPLFVIIDEC-NAKRPEOUSA-N 1 0 246.376 0.231 10 0 BCAERO CC[C@H]([NH3+])CC(=O)Nc1cnns1 ZINC000166301377 344846699 /nfs/dbraw/zinc/84/66/99/344846699.db2.gz RROSTAQBMIJIBC-YFKPBYRVSA-N 1 0 200.267 0.604 10 0 BCAERO C[C@H]([NH3+])[C@H](C)C(=O)Nc1cnns1 ZINC000166316799 344854505 /nfs/dbraw/zinc/85/45/05/344854505.db2.gz PWJLVXYFMWJOGP-WHFBIAKZSA-N 1 0 200.267 0.460 10 0 BCAERO CC(C)CC(=O)N(C)C1(C[NH3+])CCOCC1 ZINC000675053309 537866750 /nfs/dbraw/zinc/86/67/50/537866750.db2.gz HPISJTNJGOEISJ-UHFFFAOYSA-N 1 0 228.336 0.999 10 0 BCAERO COc1cc(C)nc(NCC[C@H](C)[NH3+])n1 ZINC000166460617 344901552 /nfs/dbraw/zinc/90/15/52/344901552.db2.gz ISVYZAHNEVHXLZ-ZETCQYMHSA-N 1 0 210.281 0.943 10 0 BCAERO C[C@H]([NH3+])CC(=O)N[C@@]1(C)CCCOC1 ZINC000235489661 344924023 /nfs/dbraw/zinc/92/40/23/344924023.db2.gz DLOCGRIHELFMKX-WPRPVWTQSA-N 1 0 200.282 0.409 10 0 BCAERO [NH3+]C[C@H](n1ncccc1=O)C(F)(F)F ZINC000061401667 344928930 /nfs/dbraw/zinc/92/89/30/344928930.db2.gz SHLFJFWJBCQPPG-YFKPBYRVSA-N 1 0 207.155 0.305 10 0 BCAERO C[C@H](O)[C@H](C)Sc1cc[nH+]c(NN)n1 ZINC000235609739 344953410 /nfs/dbraw/zinc/95/34/10/344953410.db2.gz OMQGHOGKJQDCLW-WDSKDSINSA-N 1 0 214.294 0.624 10 0 BCAERO C[C@H]1SCC[C@@]1(C[NH3+])N1CCOCC1 ZINC000235622550 344958842 /nfs/dbraw/zinc/95/88/42/344958842.db2.gz HADLSVNKLLUVBE-ZJUUUORDSA-N 1 0 216.350 0.542 10 0 BCAERO C[C@@H](CC(N)=S)[N@@H+]1CCN(C)C[C@@H]1C ZINC000235633794 344960671 /nfs/dbraw/zinc/96/06/71/344960671.db2.gz ZSPZBQVUZTVDJK-IUCAKERBSA-N 1 0 215.366 0.687 10 0 BCAERO C[NH2+][C@](C)(Cn1ncc(Cl)c1C)C(N)=O ZINC000070704500 537880650 /nfs/dbraw/zinc/88/06/50/537880650.db2.gz AIVXIQRXGPEROL-SECBINFHSA-N 1 0 230.699 0.308 10 0 BCAERO C[NH2+][C@@](C)(CCn1nccc1C)C(N)=O ZINC000070686969 537878169 /nfs/dbraw/zinc/87/81/69/537878169.db2.gz ZKJSZULBUITWRU-JTQLQIEISA-N 1 0 210.281 0.045 10 0 BCAERO COC(C)(C)C(=O)C[C@H]1COC[C@@H](C)[NH2+]1 ZINC000301023653 537878582 /nfs/dbraw/zinc/87/85/82/537878582.db2.gz QWZDNIUQWYLOAI-BDAKNGLRSA-N 1 0 215.293 0.748 10 0 BCAERO CCOC(=O)[C@H]([NH3+])CCn1nccc1C ZINC000070686956 537879570 /nfs/dbraw/zinc/87/95/70/537879570.db2.gz JJXNIUMOTYGVED-SECBINFHSA-N 1 0 211.265 0.472 10 0 BCAERO C[C@@H](C[NH3+])[C@H](O)c1ncc(Cl)n1C ZINC000301041348 537883494 /nfs/dbraw/zinc/88/34/94/537883494.db2.gz WMAXBYKWFIKLPV-FSPLSTOPSA-N 1 0 203.673 0.702 10 0 BCAERO COC(=O)c1ccccc1[C@@H]([NH3+])CCO ZINC000044233293 344989075 /nfs/dbraw/zinc/98/90/75/344989075.db2.gz VYJARZXYECTAGI-JTQLQIEISA-N 1 0 209.245 0.855 10 0 BCAERO COC[C@@H](C)C(=O)N(C)[C@H]1CCC[N@H+](C)C1 ZINC000153924438 345002354 /nfs/dbraw/zinc/00/23/54/345002354.db2.gz KKLIGIIJGIPWOU-MNOVXSKESA-N 1 0 228.336 0.822 10 0 BCAERO OCCc1ccccc1[C@H]1C[NH2+]CCN1 ZINC000044381620 345046717 /nfs/dbraw/zinc/04/67/17/345046717.db2.gz FZBVQZARDPGCJN-GFCCVEGCSA-N 1 0 206.289 0.455 10 0 BCAERO C[NH2+]CCC1(O)CCC2(CC1)OCCO2 ZINC000238329081 345023589 /nfs/dbraw/zinc/02/35/89/345023589.db2.gz AFKBPGKUXVNYAQ-UHFFFAOYSA-N 1 0 215.293 0.644 10 0 BCAERO NC(=O)c1ccc([C@@H]2C[NH2+]CCN2)cc1 ZINC000238550496 345075893 /nfs/dbraw/zinc/07/58/93/345075893.db2.gz PGXXIECLISAHRB-JTQLQIEISA-N 1 0 205.261 0.019 10 0 BCAERO C[C@H]1CC[C@@H](C(=O)NCC[NH+](C)C)O1 ZINC000154951284 345061227 /nfs/dbraw/zinc/06/12/27/345061227.db2.gz RPSUFKCOFQRBFD-IUCAKERBSA-N 1 0 200.282 0.232 10 0 BCAERO COc1cc(F)c([C@H](N)C[NH3+])c(F)c1 ZINC000044473130 345090477 /nfs/dbraw/zinc/09/04/77/345090477.db2.gz RIPHLPWRHIJCSD-MRVPVSSYSA-N 1 0 202.204 0.932 10 0 BCAERO N[C@H](C[NH3+])c1ccnc(Br)c1 ZINC000044472883 345090892 /nfs/dbraw/zinc/09/08/92/345090892.db2.gz QUIYLMIFVJCVKI-ZCFIWIBFSA-N 1 0 216.082 0.803 10 0 BCAERO C[N@@H+]1CCC[C@@H](CN2CCC(=O)CC2)C1 ZINC000044537310 345112815 /nfs/dbraw/zinc/11/28/15/345112815.db2.gz BTTVSEQOEMSXBL-LLVKDONJSA-N 1 0 210.321 0.993 10 0 BCAERO CN1C[C@H](C[NH2+]Cc2ccon2)CC1=O ZINC000634986599 345166260 /nfs/dbraw/zinc/16/62/60/345166260.db2.gz ZIPQABRQPUCIFN-QMMMGPOBSA-N 1 0 209.249 0.243 10 0 BCAERO COC(=O)[C@@H](C)NC[C@H]1C[NH2+]CC12CC2 ZINC000675076093 537889229 /nfs/dbraw/zinc/88/92/29/537889229.db2.gz YRGFIFDIPFEBNS-RKDXNWHRSA-N 1 0 212.293 0.137 10 0 BCAERO C[C@@H]1C[C@H](C[NH3+])CN1S(=O)(=O)C(F)F ZINC000126872688 345144067 /nfs/dbraw/zinc/14/40/67/345144067.db2.gz CVGAXHRFIWADAF-PHDIDXHHSA-N 1 0 228.264 0.208 10 0 BCAERO C[C@H]1C[C@@H](C[NH3+])CN1S(=O)(=O)C(F)F ZINC000126873391 345144081 /nfs/dbraw/zinc/14/40/81/345144081.db2.gz CVGAXHRFIWADAF-WDSKDSINSA-N 1 0 228.264 0.208 10 0 BCAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@H](C)C[NH2+]C ZINC000245442177 345228015 /nfs/dbraw/zinc/22/80/15/345228015.db2.gz WBLLQMVUMVYPCV-VXGBXAGGSA-N 1 0 241.379 0.785 10 0 BCAERO C[C@@H]1COCC[C@H]1[NH2+]C[C@H]1CNC(=O)O1 ZINC000380276044 345264193 /nfs/dbraw/zinc/26/41/93/345264193.db2.gz XRCNYJYVNWSOIM-HRDYMLBCSA-N 1 0 214.265 0.109 10 0 BCAERO [NH3+]C[C@H]1CCC[C@H](N2CCS(=O)(=O)CC2)C1 ZINC000675054339 537894649 /nfs/dbraw/zinc/89/46/49/537894649.db2.gz SITWXXNUFGUHHV-QWRGUYRKSA-N 1 0 246.376 0.234 10 0 BCAERO C[C@H]1C[C@@H](C(F)F)N2NC(CC[NH3+])=NC2=N1 ZINC000720941995 537892468 /nfs/dbraw/zinc/89/24/68/537892468.db2.gz SITCJKUFAWCXLI-WDSKDSINSA-N 1 0 231.250 0.336 10 0 BCAERO [NH3+]CCC[N@H+](CC(=O)[O-])Cc1ccccc1 ZINC000148205125 345322585 /nfs/dbraw/zinc/32/25/85/345322585.db2.gz DPMFDDQYBMDPFT-UHFFFAOYSA-N 1 0 222.288 0.922 10 0 BCAERO C[NH+](C)[C@@H]1CCN(C(=O)COC(C)(C)C)C1 ZINC000158521477 345343739 /nfs/dbraw/zinc/34/37/39/345343739.db2.gz LNAODVRZBHCBFR-SNVBAGLBSA-N 1 0 228.336 0.964 10 0 BCAERO CC(C)[N@@H+]1CC[C@]2(C1)NC(=S)NC2=O ZINC000133231349 345366279 /nfs/dbraw/zinc/36/62/79/345366279.db2.gz KUMIHMJSZWHYBL-SECBINFHSA-N 1 0 213.306 0.255 10 0 BCAERO O=C(NC[C@@H]1CCSC1)[C@@H]1CCC[NH2+]1 ZINC000228569709 345366752 /nfs/dbraw/zinc/36/67/52/345366752.db2.gz BXWRTCBWTURNKT-IUCAKERBSA-N 1 0 214.334 0.608 10 0 BCAERO CCN1CCC[C@@H]1C[NH2+]CC(OC)OC ZINC000082534386 345332463 /nfs/dbraw/zinc/33/24/63/345332463.db2.gz KJGACXLLUSXSBL-SNVBAGLBSA-N 1 0 216.325 0.679 10 0 BCAERO [NH3+]CCN1CCCO[C@H](c2ccncn2)C1 ZINC000616678492 345411599 /nfs/dbraw/zinc/41/15/99/345411599.db2.gz HJKQOPYVGVYHAU-NSHDSACASA-N 1 0 222.292 0.199 10 0 BCAERO Cc1nnc([C@@H]2CN(CCCF)CCO2)[nH]1 ZINC000134041141 345396002 /nfs/dbraw/zinc/39/60/02/345396002.db2.gz DDIRMIFLCAZMEE-VIFPVBQESA-N 1 0 228.271 0.846 10 0 BCAERO COC[C@@H]([NH3+])C(=O)Nc1ccc2n[nH]cc2c1 ZINC000159663780 345458987 /nfs/dbraw/zinc/45/89/87/345458987.db2.gz LPGDMFSGLGZDGP-SECBINFHSA-N 1 0 234.259 0.475 10 0 BCAERO C[C@@H]1CSC(NCC[S@@](C)=O)=[NH+]1 ZINC000229251506 345468222 /nfs/dbraw/zinc/46/82/22/345468222.db2.gz YUUOJRJOZVLUIF-SREIQFSDSA-N 1 0 206.336 0.446 10 0 BCAERO CN(Cc1nc[nH]n1)C(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000136208842 345487663 /nfs/dbraw/zinc/48/76/63/345487663.db2.gz GWEOMVMRPBVNRP-LLVKDONJSA-N 1 0 237.307 0.295 10 0 BCAERO CN(Cc1nc[nH]n1)C(=O)[C@]1(C)CCCC[NH2+]1 ZINC000136208880 345487791 /nfs/dbraw/zinc/48/77/91/345487791.db2.gz GWEOMVMRPBVNRP-NSHDSACASA-N 1 0 237.307 0.295 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N[C@@H]1CCc2ccccc2C1 ZINC000159885706 345579360 /nfs/dbraw/zinc/57/93/60/345579360.db2.gz IEWFTZYWBWHMTG-CHWSQXEVSA-N 1 0 248.326 0.634 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N1CCOc2ccccc21 ZINC000159833042 345557962 /nfs/dbraw/zinc/55/79/62/345557962.db2.gz UGXJOUDBKSXYMI-SECBINFHSA-N 1 0 236.271 0.386 10 0 BCAERO O=C(CC1CC1)N1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC000403980255 323092045 /nfs/dbraw/zinc/09/20/45/323092045.db2.gz ATBQKYJMMWTVRU-QWRGUYRKSA-N 1 0 224.304 0.376 10 0 BCAERO CCCn1ncnc1C1=C[C@@H]([NH3+])CNC1 ZINC000675079025 537901398 /nfs/dbraw/zinc/90/13/98/537901398.db2.gz UZYLBDSUKHKRMG-SECBINFHSA-N 1 0 207.281 0.002 10 0 BCAERO COc1nc(C)nc(N(C)CCC[NH3+])c1C ZINC000212605241 345739702 /nfs/dbraw/zinc/73/97/02/345739702.db2.gz MODFTKZCPXERSJ-UHFFFAOYSA-N 1 0 224.308 0.887 10 0 BCAERO C[C@@H]1C[C@@H](O)c2ncnc(N3CC[NH2+]CC3)c21 ZINC000113283292 345753312 /nfs/dbraw/zinc/75/33/12/345753312.db2.gz OWLDVUBHSFAGQJ-RKDXNWHRSA-N 1 0 234.303 0.427 10 0 BCAERO COC(=O)CCN1CC[NH2+][C@@H](C(C)C)C1 ZINC000261083917 345718591 /nfs/dbraw/zinc/71/85/91/345718591.db2.gz SQNDRLOMVODGCO-SNVBAGLBSA-N 1 0 214.309 0.479 10 0 BCAERO Cc1cc(C)nc(N2CC[C@@H]3C[NH2+]C[C@@H]32)n1 ZINC000209510444 345736500 /nfs/dbraw/zinc/73/65/00/345736500.db2.gz NQDLXLRLASCIMJ-MNOVXSKESA-N 1 0 218.304 0.892 10 0 BCAERO CCn1nncc1C(=O)[C@H]1CCC[NH2+]C1 ZINC000221556513 345764759 /nfs/dbraw/zinc/76/47/59/345764759.db2.gz ZFHSRBPNHLTLOD-QMMMGPOBSA-N 1 0 208.265 0.480 10 0 BCAERO COC[C@@H]1CC[C@H]([C@H]2COCC[NH2+]2)O1 ZINC000306185775 537910732 /nfs/dbraw/zinc/91/07/32/537910732.db2.gz MXQJJCWDEUAXPA-IVZWLZJFSA-N 1 0 201.266 0.169 10 0 BCAERO C[C@@H](C[NH3+])[C@H](O)c1c(Br)cnn1C ZINC000306180147 537912443 /nfs/dbraw/zinc/91/24/43/537912443.db2.gz XRAHEXHOBXWZNR-XNCJUZBTSA-N 1 0 248.124 0.811 10 0 BCAERO NC(=O)C[N@@H+]1CCC[C@H](c2ccccc2N)C1 ZINC000141331811 345860153 /nfs/dbraw/zinc/86/01/53/345860153.db2.gz ZPLARGPUEJDCIU-JTQLQIEISA-N 1 0 233.315 0.934 10 0 BCAERO NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1O ZINC000142509744 345863296 /nfs/dbraw/zinc/86/32/96/345863296.db2.gz SWAHHZAITJEBED-NEPJUHHUSA-N 1 0 234.299 0.355 10 0 BCAERO [NH3+]CCCCc1ccccc1OC[C@H](O)CO ZINC000034618411 345838300 /nfs/dbraw/zinc/83/83/00/345838300.db2.gz NPFIBIVWXAVMRM-GFCCVEGCSA-N 1 0 239.315 0.700 10 0 BCAERO Cc1nc(Cl)nc(NCC[NH3+])c1N ZINC000235819341 345925378 /nfs/dbraw/zinc/92/53/78/345925378.db2.gz RXPTXLYPONBTSL-UHFFFAOYSA-N 1 0 201.661 0.391 10 0 BCAERO C[C@H](C[C@](C)([NH3+])C(N)=O)n1cc(Cl)cn1 ZINC000082800520 537923546 /nfs/dbraw/zinc/92/35/46/537923546.db2.gz CGWQBYHDOOGXFZ-MUWHJKNJSA-N 1 0 230.699 0.690 10 0 BCAERO CCCCNC(=O)N(CC[NH3+])CCOC ZINC000124283050 537923812 /nfs/dbraw/zinc/92/38/12/537923812.db2.gz LBUWAOCIAOIMEC-UHFFFAOYSA-N 1 0 217.313 0.403 10 0 BCAERO Cc1ccn([C@H](C)C[C@](C)([NH3+])C(N)=O)n1 ZINC000082800584 537924124 /nfs/dbraw/zinc/92/41/24/537924124.db2.gz YMNOTGFXUBUQSU-SCZZXKLOSA-N 1 0 210.281 0.345 10 0 BCAERO CC(C)(C)OC(=O)NC1(C(=[NH2+])NO)CC1 ZINC000118801263 537929267 /nfs/dbraw/zinc/92/92/67/537929267.db2.gz SHIVMBCEJOJVBU-UHFFFAOYSA-N 1 0 215.253 1.000 10 0 BCAERO CCCCS(=O)(=O)N1CC([C@@H](C)[NH3+])C1 ZINC000719751024 537933796 /nfs/dbraw/zinc/93/37/96/537933796.db2.gz OAQHDNVUMZQXOH-MRVPVSSYSA-N 1 0 220.338 0.395 10 0 BCAERO COC(=O)[C@H]([NH3+])[C@H]1CCOC(C)(C)C1 ZINC000147949462 346031418 /nfs/dbraw/zinc/03/14/18/346031418.db2.gz MKHBEKVALPWSSY-JGVFFNPUSA-N 1 0 201.266 0.692 10 0 BCAERO CC(=O)N[C@H]1CCN(C(=O)[C@H]([NH3+])CC(C)C)C1 ZINC000130168414 537939581 /nfs/dbraw/zinc/93/95/81/537939581.db2.gz IVMVFGXHNLSEJK-WDEREUQCSA-N 1 0 241.335 0.097 10 0 BCAERO CCCN1CC[C@@H]([NH3+])C12CCS(=O)(=O)CC2 ZINC000685953378 537942970 /nfs/dbraw/zinc/94/29/70/537942970.db2.gz GTROFZGWTZCPJK-SNVBAGLBSA-N 1 0 246.376 0.377 10 0 BCAERO CC[NH2+]C1CCC(S(C)(=O)=O)CC1 ZINC000685955470 537943013 /nfs/dbraw/zinc/94/30/13/537943013.db2.gz ZURZPCWILHYAGB-UHFFFAOYSA-N 1 0 205.323 0.952 10 0 BCAERO Cc1cnn(CCNC2=[NH+]CCS2)c1 ZINC000235946204 346174140 /nfs/dbraw/zinc/17/41/40/346174140.db2.gz HMDCEKLNXVGNGQ-UHFFFAOYSA-N 1 0 210.306 0.884 10 0 BCAERO Cn1c(Cl)cnc1COC1C[NH2+]C1 ZINC000236079833 346189786 /nfs/dbraw/zinc/18/97/86/346189786.db2.gz LBCSYVJJPCTZOS-UHFFFAOYSA-N 1 0 201.657 0.562 10 0 BCAERO COCC(=O)N[C@H]1CC[N@H+](C)C[C@H]1C ZINC000136332108 346196655 /nfs/dbraw/zinc/19/66/55/346196655.db2.gz SCQNDMNRUDJRRY-BDAKNGLRSA-N 1 0 200.282 0.089 10 0 BCAERO O=C(NC[C@@H]1CCC[NH2+]1)c1cncs1 ZINC000236399289 346234740 /nfs/dbraw/zinc/23/47/40/346234740.db2.gz YUUCXDXDUYNHQX-ZETCQYMHSA-N 1 0 211.290 0.625 10 0 BCAERO [NH3+]C[C@H](O)c1scnc1Br ZINC000236252172 346216269 /nfs/dbraw/zinc/21/62/69/346216269.db2.gz FYNCWQKWSQFJOV-VKHMYHEASA-N 1 0 223.095 0.898 10 0 BCAERO [NH2+]=C(NC1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000167412656 346246200 /nfs/dbraw/zinc/24/62/00/346246200.db2.gz BIPSZRPFGKJVTH-LURJTMIESA-N 1 0 202.279 0.150 10 0 BCAERO [NH3+][C@]1(C[C@H]2CCCO2)CCS(=O)(=O)C1 ZINC000167464110 346250877 /nfs/dbraw/zinc/25/08/77/346250877.db2.gz ROILRGOMTZJBBI-BDAKNGLRSA-N 1 0 219.306 0.072 10 0 BCAERO Cc1nsc(NC[C@@H]2C[NH2+]CCO2)n1 ZINC000227786264 346297762 /nfs/dbraw/zinc/29/77/62/346297762.db2.gz KMFJDTCJORNAMC-ZETCQYMHSA-N 1 0 214.294 0.247 10 0 BCAERO Cc1cccc(C)c1CN1CCOC[C@H]1C(N)=O ZINC000092229435 179034483 /nfs/dbraw/zinc/03/44/83/179034483.db2.gz GDTRLBDMCHCDBO-ZDUSSCGKSA-N 1 0 248.326 0.990 10 0 BCAERO CCC[N@H+](C)C[C@@H]1C[NH2+]C[C@H](C(=O)[O-])C1 ZINC000669378399 537965789 /nfs/dbraw/zinc/96/57/89/537965789.db2.gz CVLCAZGKYOYNBJ-VHSXEESVSA-N 1 0 214.309 0.639 10 0 BCAERO Cc1cccc(C)c1NC(=O)[C@@H]1C[NH2+]CCN1 ZINC000019366472 179041740 /nfs/dbraw/zinc/04/17/40/179041740.db2.gz ITXSFUYSLHKZFF-NSHDSACASA-N 1 0 233.315 0.803 10 0 BCAERO O=C([O-])[C@@H]1C[NH2+]C[C@H](C[NH+]2CCCCC2)C1 ZINC000669378564 537968185 /nfs/dbraw/zinc/96/81/85/537968185.db2.gz HDLUARLHUXZPAM-MNOVXSKESA-N 1 0 226.320 0.783 10 0 BCAERO Cc1cccc(C)c1OC[C@H](O)CNCC[NH3+] ZINC000050523365 179048283 /nfs/dbraw/zinc/04/82/83/179048283.db2.gz UANBFSIGQUETHY-GFCCVEGCSA-N 1 0 238.331 0.591 10 0 BCAERO CC1(C)C[NH2+]C[C@H]1NS(=O)(=O)C1CCCC1 ZINC000669378295 537969660 /nfs/dbraw/zinc/96/96/60/537969660.db2.gz DFJVJVLISLWYMM-SNVBAGLBSA-N 1 0 246.376 0.846 10 0 BCAERO O=C([O-])[C@@H]1C[NH2+]C[C@@H](C[NH+]2CCCC2)C1 ZINC000669378736 537973840 /nfs/dbraw/zinc/97/38/40/537973840.db2.gz KIBACNSNKNILJM-UWVGGRQHSA-N 1 0 212.293 0.393 10 0 BCAERO CC[N@H+](C)C[C@H]1C[NH2+]C[C@H](C(=O)[O-])C1 ZINC000669379197 537974312 /nfs/dbraw/zinc/97/43/12/537974312.db2.gz WOMYXVKNBVMXKP-RKDXNWHRSA-N 1 0 200.282 0.248 10 0 BCAERO CC[N@H+](C)C[C@H]1C[NH2+]C[C@@H](C(=O)[O-])C1 ZINC000669379194 537975625 /nfs/dbraw/zinc/97/56/25/537975625.db2.gz WOMYXVKNBVMXKP-BDAKNGLRSA-N 1 0 200.282 0.248 10 0 BCAERO Cc1cccc(C[N@@H+]2CCC[C@@](O)(C(N)=O)C2)n1 ZINC000310969632 179077641 /nfs/dbraw/zinc/07/76/41/179077641.db2.gz DAFBXSWUPWQIAD-ZDUSSCGKSA-N 1 0 249.314 0.202 10 0 BCAERO COC[C@@H]([NH3+])C(=O)NC[C@H](C)c1nccs1 ZINC000300361522 346432019 /nfs/dbraw/zinc/43/20/19/346432019.db2.gz GKKPYWGWKHTGIG-JGVFFNPUSA-N 1 0 243.332 0.337 10 0 BCAERO C[C@H]1C[NH2+]CC[C@]1(C(=O)[O-])[NH+]1CCCC1 ZINC000229564015 346437924 /nfs/dbraw/zinc/43/79/24/346437924.db2.gz WMTQAQZTJSXPCG-ONGXEEELSA-N 1 0 212.293 0.535 10 0 BCAERO O=C1OC[C@]2(CO)C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000575154507 346438548 /nfs/dbraw/zinc/43/85/48/346438548.db2.gz BJWMDBOXVFSTIP-TZMCWYRMSA-N 1 0 247.294 0.654 10 0 BCAERO c1cc(CN2CC[C@@H]3OCC[NH2+][C@@H]3C2)sn1 ZINC000641797955 362738419 /nfs/dbraw/zinc/73/84/19/362738419.db2.gz AXTKFJGEATZVDA-MNOVXSKESA-N 1 0 239.344 0.706 10 0 BCAERO COCCN(CC[NH3+])C(=O)N[C@H](C)C(C)C ZINC000725241782 537980651 /nfs/dbraw/zinc/98/06/51/537980651.db2.gz POSVNHXKGIMJDC-SNVBAGLBSA-N 1 0 231.340 0.648 10 0 BCAERO C[C@@H](CNC1=[NH+]CCCC1)[S@](C)=O ZINC000229725120 346455147 /nfs/dbraw/zinc/45/51/47/346455147.db2.gz GLMCLHLSQNDSCJ-SDBXPKJASA-N 1 0 202.323 0.925 10 0 BCAERO COCC[C@H](C)NC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170836102 346459979 /nfs/dbraw/zinc/45/99/79/346459979.db2.gz UDLLCCVENXSFSY-WDEREUQCSA-N 1 0 243.351 0.757 10 0 BCAERO C[C@@H]1C[NH+]=C(NN2CCOCC2)S1 ZINC000148839976 346463307 /nfs/dbraw/zinc/46/33/07/346463307.db2.gz LCRHTFWVSAAWCE-SSDOTTSWSA-N 1 0 201.295 0.315 10 0 BCAERO COc1cc(CN2CCC[C@H]2C[NH3+])on1 ZINC000641797223 362742359 /nfs/dbraw/zinc/74/23/59/362742359.db2.gz YFYFZWBCGCUKOA-QMMMGPOBSA-N 1 0 211.265 0.606 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)NCC1=CC[NH2+]CC1 ZINC000186367800 346503800 /nfs/dbraw/zinc/50/38/00/346503800.db2.gz VSDKIKUIDNAUKW-SNVBAGLBSA-N 1 0 211.309 0.150 10 0 BCAERO CC(C)[C@H](C)NC(=O)NC12CC([NH3+])(C1)C2 ZINC000725241766 537981842 /nfs/dbraw/zinc/98/18/42/537981842.db2.gz PFWDAYRAOXNDMT-PUSIOWJLSA-N 1 0 211.309 0.964 10 0 BCAERO CN1C[C@@H]([NH2+]C[C@@H](O)C(C)(C)C)CC1=O ZINC000380040361 365823684 /nfs/dbraw/zinc/82/36/84/365823684.db2.gz UEPOMCSEDKISTJ-DTWKUNHWSA-N 1 0 214.309 0.214 10 0 BCAERO CC[C@H](O)CN1CC[NH+](C[C@H](C)COC)CC1 ZINC000187248104 346563659 /nfs/dbraw/zinc/56/36/59/346563659.db2.gz ZTCBNBREDXEULE-STQMWFEESA-N 1 0 244.379 0.657 10 0 BCAERO C[NH2+][C@H](C)C(=O)N[C@@H]1C[C@H](OC)C1(C)C ZINC000300388092 346576690 /nfs/dbraw/zinc/57/66/90/346576690.db2.gz NSGSPSCGEDGDFA-HLTSFMKQSA-N 1 0 214.309 0.524 10 0 BCAERO CC[C@@H]([C@H](C)[NH3+])n1cc(S(C)(=O)=O)cn1 ZINC000725242303 537984527 /nfs/dbraw/zinc/98/45/27/537984527.db2.gz SOVGKPFGBSISIU-CBAPKCEASA-N 1 0 231.321 0.585 10 0 BCAERO CNC(=S)N(C)[C@@H]1CCC[N@H+](C)C1 ZINC000164303529 346599618 /nfs/dbraw/zinc/59/96/18/346599618.db2.gz PXAURYWJFZPNRJ-MRVPVSSYSA-N 1 0 201.339 0.517 10 0 BCAERO CC[C@H]1CN(C(=S)NC)CC[N@@H+]1C ZINC000164340074 346601557 /nfs/dbraw/zinc/60/15/57/346601557.db2.gz XDUXUINVDKDJHL-QMMMGPOBSA-N 1 0 201.339 0.517 10 0 BCAERO CC(C)S(=O)(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000164750317 346622718 /nfs/dbraw/zinc/62/27/18/346622718.db2.gz OCZPCINKRSNGIH-DTWKUNHWSA-N 1 0 220.338 0.455 10 0 BCAERO CC(C)S(=O)(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000164749978 346622793 /nfs/dbraw/zinc/62/27/93/346622793.db2.gz OCZPCINKRSNGIH-BDAKNGLRSA-N 1 0 220.338 0.455 10 0 BCAERO OCCN1CCC[C@@H]([NH2+]C2CCSCC2)C1 ZINC000381859857 346655094 /nfs/dbraw/zinc/65/50/94/346655094.db2.gz VYTLMBQANNLSRQ-GFCCVEGCSA-N 1 0 244.404 0.928 10 0 BCAERO Cc1cccc(NC(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)c1 ZINC000209451042 179130579 /nfs/dbraw/zinc/13/05/79/179130579.db2.gz GXIFSGJOQOFOBA-RYUDHWBXSA-N 1 0 249.314 0.791 10 0 BCAERO COC[C@@H](C)C[NH2+][C@H]1CCc2ncnn2C1 ZINC000187836272 346627646 /nfs/dbraw/zinc/62/76/46/346627646.db2.gz BAXLRACJBGNONN-UWVGGRQHSA-N 1 0 224.308 0.465 10 0 BCAERO COC(=O)c1ncn(-c2ccncc2)n1 ZINC000167452135 346709292 /nfs/dbraw/zinc/70/92/92/346709292.db2.gz XBDOYKXYFRRRCC-UHFFFAOYSA-N 1 0 204.189 0.449 10 0 BCAERO C[NH2+][C@]1(C(N)=O)Cc2ccc(Cl)cc2C1 ZINC000168097286 346726052 /nfs/dbraw/zinc/72/60/52/346726052.db2.gz PUGTVTVXKUYWFR-LLVKDONJSA-N 1 0 224.691 0.882 10 0 BCAERO CC(=O)NCCN(C)C(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000308205073 346747327 /nfs/dbraw/zinc/74/73/27/346747327.db2.gz YDASPODUFPCLAD-WDEREUQCSA-N 1 0 241.335 0.098 10 0 BCAERO C[C@@H](CCCO)NC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000087359973 365865129 /nfs/dbraw/zinc/86/51/29/365865129.db2.gz XARLJBNQAVJTOY-QWRGUYRKSA-N 1 0 228.336 0.653 10 0 BCAERO Cn1cnc2c1[C@@](C)([C@H]1CCCO1)[NH2+]CC2 ZINC000725242558 537986532 /nfs/dbraw/zinc/98/65/32/537986532.db2.gz FPTOGWPEUCOFOF-ZYHUDNBSSA-N 1 0 221.304 0.960 10 0 BCAERO COC1CC2(C1)[NH2+]CCc1ncn(C)c12 ZINC000725242736 537986730 /nfs/dbraw/zinc/98/67/30/537986730.db2.gz OKYOCNRGVTZJIV-UHFFFAOYSA-N 1 0 207.277 0.570 10 0 BCAERO [NH3+]C[C@@]1(O)CCCN(c2ccc(F)cn2)C1 ZINC000616428229 347143147 /nfs/dbraw/zinc/14/31/47/347143147.db2.gz OEYHUYOXDIJHMN-NSHDSACASA-N 1 0 225.267 0.511 10 0 BCAERO C[C@H]([NH2+]C[C@H]1CNC(=O)O1)[C@@H]1CCOC1 ZINC000380095306 365876926 /nfs/dbraw/zinc/87/69/26/365876926.db2.gz KCPWDAUAKFYLMN-YIZRAAEISA-N 1 0 214.265 0.109 10 0 BCAERO CN(C)C(=O)C[C@@H]1[NH2+]CCc2ncn(C)c21 ZINC000725242772 537986879 /nfs/dbraw/zinc/98/68/79/537986879.db2.gz RZJLRMFKSQBIHJ-VIFPVBQESA-N 1 0 222.292 0.085 10 0 BCAERO COc1cc(CN2C[C@H](C)[C@H](C[NH3+])C2)on1 ZINC000641819025 362771406 /nfs/dbraw/zinc/77/14/06/362771406.db2.gz GIPOZVRMXDPEJU-DTWKUNHWSA-N 1 0 225.292 0.710 10 0 BCAERO COC(=O)CCN1CCCCC[C@@H]([NH3+])C1 ZINC000601323677 347203470 /nfs/dbraw/zinc/20/34/70/347203470.db2.gz DFKVYFAGPYJDKS-SNVBAGLBSA-N 1 0 214.309 0.753 10 0 BCAERO COC(=O)CC(=O)N[C@@](C)(CC[NH3+])C(F)F ZINC000669380230 537987358 /nfs/dbraw/zinc/98/73/58/537987358.db2.gz JYYLTRMZNZRWBM-VIFPVBQESA-N 1 0 238.234 0.038 10 0 BCAERO CC[C@@H]([NH2+][C@H]1CCc2nccn2C1)C(N)=O ZINC000310022746 347219362 /nfs/dbraw/zinc/21/93/62/347219362.db2.gz OCYHWLIGXGHNCT-DTWKUNHWSA-N 1 0 222.292 0.051 10 0 BCAERO OCc1ccnc(N2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000250245752 362797106 /nfs/dbraw/zinc/79/71/06/362797106.db2.gz LRQDQBAYQUVZIF-LBPRGKRZSA-N 1 0 233.315 0.858 10 0 BCAERO C[NH+](C)[C@]1(C(=O)[O-])CC[N@@H+]2CCC[C@H]2C1 ZINC000250342702 362799486 /nfs/dbraw/zinc/79/94/86/362799486.db2.gz DGOWAQLDDFMMFJ-GXSJLCMTSA-N 1 0 212.293 0.630 10 0 BCAERO C[N@H+](C[C@]1(N)CCOC1)[C@H]1CCSC1 ZINC000250360593 362800733 /nfs/dbraw/zinc/80/07/33/362800733.db2.gz DJKVVLGSQXSFGJ-VHSXEESVSA-N 1 0 216.350 0.542 10 0 BCAERO CCCCOC[C@@H](O)C[N@H+](C)CCCO ZINC000300874625 347273765 /nfs/dbraw/zinc/27/37/65/347273765.db2.gz XYKDSSGNNVNLNC-NSHDSACASA-N 1 0 219.325 0.478 10 0 BCAERO O=S1(=O)CCC[C@H]1C[NH2+][C@@H]1CCCC[C@H]1O ZINC000087971751 362811097 /nfs/dbraw/zinc/81/10/97/362811097.db2.gz WDWFQATVKTWBLH-HBNTYKKESA-N 1 0 247.360 0.457 10 0 BCAERO Cc1cccc([C@H]([C@@H](C)[NH3+])N(C)CC(N)=O)c1 ZINC000042966080 179203299 /nfs/dbraw/zinc/20/32/99/179203299.db2.gz FDKULVABUFZRMO-MFKMUULPSA-N 1 0 235.331 0.800 10 0 BCAERO Cc1cccc([C@H]([C@H](C)[NH3+])N(C)CC(N)=O)c1 ZINC000042966084 179203374 /nfs/dbraw/zinc/20/33/74/179203374.db2.gz FDKULVABUFZRMO-GWCFXTLKSA-N 1 0 235.331 0.800 10 0 BCAERO CCOC(=O)[C@]1(O)CC[N@@H+]2CCC[C@H]2C1 ZINC000250671202 362815412 /nfs/dbraw/zinc/81/54/12/362815412.db2.gz MGRXSOKQJPJERU-ONGXEEELSA-N 1 0 213.277 0.539 10 0 BCAERO CCOC(=O)CC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000082290015 347341346 /nfs/dbraw/zinc/34/13/46/347341346.db2.gz IQNRRXUJIUUADY-VIFPVBQESA-N 1 0 228.292 0.102 10 0 BCAERO CN1CC[C@H](C[N@H+](C)[C@H]2CCC(=O)C2)C1 ZINC000250643885 362814362 /nfs/dbraw/zinc/81/43/62/362814362.db2.gz UPXCZXCEDIZEEP-QWRGUYRKSA-N 1 0 210.321 0.992 10 0 BCAERO NC(=O)[C@H]1CCCC[N@@H+]1[C@H]1CCC(=O)C1 ZINC000250884294 362825815 /nfs/dbraw/zinc/82/58/15/362825815.db2.gz WEAWLJDGESULDL-WCBMZHEXSA-N 1 0 210.277 0.448 10 0 BCAERO COC[C@@H]([NH3+])C(=O)NCC(C1CC1)C1CC1 ZINC000088004781 362821412 /nfs/dbraw/zinc/82/14/12/362821412.db2.gz DRIQIDNWYJRFMD-LLVKDONJSA-N 1 0 226.320 0.513 10 0 BCAERO CCCCOC[C@H](O)C[N@@H+]1CCC[C@H](O)C1 ZINC000193248433 347394079 /nfs/dbraw/zinc/39/40/79/347394079.db2.gz PWBIQEUMJWDWTO-NWDGAFQWSA-N 1 0 231.336 0.621 10 0 BCAERO CCCCOC[C@@H](O)C[N@H+](CCO)C1CC1 ZINC000193249040 347394316 /nfs/dbraw/zinc/39/43/16/347394316.db2.gz CSTWOJFSTSICJP-LBPRGKRZSA-N 1 0 231.336 0.621 10 0 BCAERO Cc1cccc2nn(CC3=[NH+]CCN3)nc21 ZINC000073258671 179232834 /nfs/dbraw/zinc/23/28/34/179232834.db2.gz DXOSRYHRYIJIPQ-UHFFFAOYSA-N 1 0 215.260 0.741 10 0 BCAERO CC(C)[N@H+](CCO)C[C@@H](O)COC(C)(C)C ZINC000192927711 365884209 /nfs/dbraw/zinc/88/42/09/365884209.db2.gz KXEWTFONUCYCTH-LLVKDONJSA-N 1 0 233.352 0.865 10 0 BCAERO CCS(=O)(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000014223657 362844763 /nfs/dbraw/zinc/84/47/63/362844763.db2.gz CTGQTLKQHMOOGB-SECBINFHSA-N 1 0 218.322 0.116 10 0 BCAERO COC(=O)[C@@H](C)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000082462948 347599466 /nfs/dbraw/zinc/59/94/66/347599466.db2.gz VDCODFGPYJOWFI-NXEZZACHSA-N 1 0 212.293 0.328 10 0 BCAERO COC[C@@]1(C(=O)NCCCSC)CCC[NH2+]1 ZINC000591592597 347672652 /nfs/dbraw/zinc/67/26/52/347672652.db2.gz AZKWFDRDFDZYLC-LLVKDONJSA-N 1 0 246.376 0.624 10 0 BCAERO Cc1ccccc1CNC(=O)[C@H]1C[NH2+][C@@H](C)CN1 ZINC000062814641 179280200 /nfs/dbraw/zinc/28/02/00/179280200.db2.gz OSEDXUWBJLNURC-WCQYABFASA-N 1 0 247.342 0.561 10 0 BCAERO CCCS(=O)(=O)N[C@@](C)(CC[NH3+])C(F)F ZINC000669380968 537992726 /nfs/dbraw/zinc/99/27/26/537992726.db2.gz UPPGLWKBCDAFDF-QMMMGPOBSA-N 1 0 244.307 0.688 10 0 BCAERO COc1cccc([C@@H](C(CO)CO)[NH+](C)C)c1 ZINC000196151528 347810671 /nfs/dbraw/zinc/81/06/71/347810671.db2.gz WQUJLIYXUNDWRY-ZDUSSCGKSA-N 1 0 239.315 0.899 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)NCc1nccs1 ZINC000082559798 347829556 /nfs/dbraw/zinc/82/95/56/347829556.db2.gz BOCRAZJWHIZOFT-HTQZYQBOSA-N 1 0 225.317 0.615 10 0 BCAERO C=CC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C(F)(F)F ZINC000616570059 347900876 /nfs/dbraw/zinc/90/08/76/347900876.db2.gz DYNXEWXFFQNXCM-NKWVEPMBSA-N 1 0 222.210 0.829 10 0 BCAERO CC[C@@H](O)C[NH2+][C@@H]1CCC(=O)N[C@@H]1C ZINC000308622942 347926886 /nfs/dbraw/zinc/92/68/86/347926886.db2.gz UUHVWTJUMCBDCR-IWSPIJDZSA-N 1 0 200.282 0.014 10 0 BCAERO CC[C@@H](O)C[NH2+][C@@H]1CCC(=O)N[C@H]1C ZINC000308622940 347926968 /nfs/dbraw/zinc/92/69/68/347926968.db2.gz UUHVWTJUMCBDCR-DJLDLDEBSA-N 1 0 200.282 0.014 10 0 BCAERO CC(C)[C@@H]([NH3+])c1nnc2c(=O)n(C)ccn21 ZINC000616570242 347966697 /nfs/dbraw/zinc/96/66/97/347966697.db2.gz FLNOOJXMYPHOGE-SSDOTTSWSA-N 1 0 221.264 0.084 10 0 BCAERO COC(=O)[C@H]1CCCN(C(=O)C[C@@H](C)[NH3+])C1 ZINC000593911708 347969765 /nfs/dbraw/zinc/96/97/65/347969765.db2.gz IGWOKKYRJXCDSI-BDAKNGLRSA-N 1 0 228.292 0.135 10 0 BCAERO COC(=O)[C@@H]1CCCN(C(=O)CC(C)(C)[NH3+])C1 ZINC000593911776 347969770 /nfs/dbraw/zinc/96/97/70/347969770.db2.gz KQFRNHBZIGEWOG-SECBINFHSA-N 1 0 242.319 0.525 10 0 BCAERO C[NH2+]CCCC(=O)N1CCC[C@@H](C(=O)OC)C1 ZINC000593912053 347970192 /nfs/dbraw/zinc/97/01/92/347970192.db2.gz UTFALUYJGLDRPV-SNVBAGLBSA-N 1 0 242.319 0.398 10 0 BCAERO COC(=O)[C@@H]1CCCN(C(=O)[C@@H]2CC[NH2+]C2)C1 ZINC000593912192 347970486 /nfs/dbraw/zinc/97/04/86/347970486.db2.gz YHFJZDXFFDSHSU-NXEZZACHSA-N 1 0 240.303 0.008 10 0 BCAERO CC(C)[C@@H]1OCC[C@@H]1CNC(=O)C[NH+](C)C ZINC000362359940 187383281 /nfs/dbraw/zinc/38/32/81/187383281.db2.gz QVMDEELBARNVRF-PWSUYJOCSA-N 1 0 228.336 0.725 10 0 BCAERO C[C@@H](C[NH3+])CN1C(=O)c2ccccc2C1=O ZINC000036986835 347998156 /nfs/dbraw/zinc/99/81/56/347998156.db2.gz BYEAEFXYEFZJHF-QMMMGPOBSA-N 1 0 218.256 0.877 10 0 BCAERO C[N@H+](CC[C@H](N)C(N)=O)C1CCCCC1 ZINC000062442882 537997022 /nfs/dbraw/zinc/99/70/22/537997022.db2.gz HHMXCFMIWDIFIX-JTQLQIEISA-N 1 0 213.325 0.454 10 0 BCAERO C[NH2+]C1(CNC(=O)C2CCC2)CCOCC1 ZINC000669381882 537997878 /nfs/dbraw/zinc/99/78/78/537997878.db2.gz YXYWIYUPOOHGNI-UHFFFAOYSA-N 1 0 226.320 0.671 10 0 BCAERO C=CC(=O)N1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000616571297 348198390 /nfs/dbraw/zinc/19/83/90/348198390.db2.gz KJQQGHBKCVJBMG-NKWVEPMBSA-N 1 0 222.210 0.911 10 0 BCAERO Cc1cccnc1CNC(=O)[C@@H]1C[NH2+]C[C@@H]1C ZINC000104208014 179380985 /nfs/dbraw/zinc/38/09/85/179380985.db2.gz PBUPAHASPJWQEG-WDEREUQCSA-N 1 0 233.315 0.862 10 0 BCAERO CC(C)[C@H](C)NC(=O)[C@@H]1COC[C@H]1[NH3+] ZINC000251301626 362860644 /nfs/dbraw/zinc/86/06/44/362860644.db2.gz IEZWCSUBNJJWCH-DJLDLDEBSA-N 1 0 200.282 0.121 10 0 BCAERO O[C@]1(C[NH2+]C2CC2)CCNCC1(F)F ZINC000669381976 538001940 /nfs/dbraw/zinc/00/19/40/538001940.db2.gz CIYNOAWNVDABIC-QMMMGPOBSA-N 1 0 206.236 0.098 10 0 BCAERO NC(=S)[C@@H]1CCC[N@@H+]1[C@H]1CCOC1 ZINC000251462419 362877848 /nfs/dbraw/zinc/87/78/48/362877848.db2.gz UVJBMMDPTFRXFT-YUMQZZPRSA-N 1 0 200.307 0.526 10 0 BCAERO C(C1CCCC1)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000334817960 187393325 /nfs/dbraw/zinc/39/33/25/187393325.db2.gz AHWNNFKRUJAVAU-NWDGAFQWSA-N 1 0 210.321 0.849 10 0 BCAERO CCCCOC[C@H](O)C[N@H+](C)[C@H](CC)CO ZINC000345828129 187394518 /nfs/dbraw/zinc/39/45/18/187394518.db2.gz IIKQHDCNBUUJGB-VXGBXAGGSA-N 1 0 233.352 0.867 10 0 BCAERO CCc1cc(N2CC[C@H]([NH3+])C2)nc(C)n1 ZINC000045954652 490158385 /nfs/dbraw/zinc/15/83/85/490158385.db2.gz WHHZPJWEFLFPOJ-VIFPVBQESA-N 1 0 206.293 0.885 10 0 BCAERO O=C1C[C@@]2(CC[N@H+](Cc3ccccc3)C2)C(=O)N1 ZINC000037337577 348341977 /nfs/dbraw/zinc/34/19/77/348341977.db2.gz CLVFEVZAKAPJOJ-CQSZACIVSA-N 1 0 244.294 0.925 10 0 BCAERO C[C@@H]1CC[NH2+][C@@H]2CCOC[C@H]2[S@@]1=O ZINC000251611488 362891825 /nfs/dbraw/zinc/89/18/25/362891825.db2.gz GYIRURNEIVIZPZ-WBPNIITGSA-N 1 0 203.307 0.274 10 0 BCAERO C[C@@H]1C[C@@H]2[NH2+]CC[S@](=O)[C@H]2[C@H](C)O1 ZINC000251780199 362914063 /nfs/dbraw/zinc/91/40/63/362914063.db2.gz FLUNMJJADLQHQP-DWRZXFCQSA-N 1 0 203.307 0.273 10 0 BCAERO CSCC(=O)N(C)[C@@H](C[NH3+])C(F)(F)F ZINC000596002054 348412469 /nfs/dbraw/zinc/41/24/69/348412469.db2.gz QRSCCARASKJMPM-YFKPBYRVSA-N 1 0 230.255 0.697 10 0 BCAERO CC(C)(C)[S@](=O)CCNC(=O)C(C)(C)[NH3+] ZINC000236737383 187396278 /nfs/dbraw/zinc/39/62/78/187396278.db2.gz BFUICMRODUQCNI-OAHLLOKOSA-N 1 0 234.365 0.387 10 0 BCAERO CC[C@@H]([NH2+]C)C(=O)N1CCC[C@@H](C(=O)OC)C1 ZINC000595955669 348404287 /nfs/dbraw/zinc/40/42/87/348404287.db2.gz CSZRQESSBZNKOI-NXEZZACHSA-N 1 0 242.319 0.396 10 0 BCAERO COC(=O)[C@@H]1CCCN(C(=O)CC2([NH3+])CC2)C1 ZINC000595956211 348404805 /nfs/dbraw/zinc/40/48/05/348404805.db2.gz HLAXDHPEHQZFJG-SECBINFHSA-N 1 0 240.303 0.279 10 0 BCAERO C[C@@H]1C[NH2+]C[C@@]12CN(CC1CC1)CCC2=O ZINC000725246179 538005051 /nfs/dbraw/zinc/00/50/51/538005051.db2.gz RECVREKVRVPUGT-ZWNOBZJWSA-N 1 0 222.332 0.897 10 0 BCAERO Cc1ccnc([S@](=O)[C@@H]2CC[NH2+]C2)n1 ZINC000095069271 179469782 /nfs/dbraw/zinc/46/97/82/179469782.db2.gz GGYOYDOYFZPCRU-CLAHSXSESA-N 1 0 211.290 0.255 10 0 BCAERO Cc1ccnc([S@](=O)C[C@@H]2CCC[NH2+]2)n1 ZINC000095069285 179470174 /nfs/dbraw/zinc/47/01/74/179470174.db2.gz UGDCLWSHDKYNDY-VFZGTOFNSA-N 1 0 225.317 0.645 10 0 BCAERO CC(C)C[NH2+]C[C@@]1(O)CCNCC1(F)F ZINC000669382489 538005586 /nfs/dbraw/zinc/00/55/86/538005586.db2.gz LQEUUDGAVMNTAM-VIFPVBQESA-N 1 0 222.279 0.592 10 0 BCAERO Cn1nncc1C[NH2+][C@H]1CCC[C@@H](O)C1 ZINC000129726110 490176931 /nfs/dbraw/zinc/17/69/31/490176931.db2.gz HRJLIEITWMNBAB-WCBMZHEXSA-N 1 0 210.281 0.208 10 0 BCAERO C[C@@H]([NH2+][C@H]1CCS(=O)(=O)C1)C1(C)CC1 ZINC000037467567 348610473 /nfs/dbraw/zinc/61/04/73/348610473.db2.gz USIBXRGSGHDSHY-BDAKNGLRSA-N 1 0 217.334 0.952 10 0 BCAERO Cc1ccsc1[C@@H](CO)N1CC[NH2+]CC1 ZINC000041675002 179554049 /nfs/dbraw/zinc/55/40/49/179554049.db2.gz CSDOSAOPCVBWJG-SNVBAGLBSA-N 1 0 226.345 0.995 10 0 BCAERO Cc1cnc(=O)n(CC[NH2+]C[C@@H]2CCOC2)c1 ZINC000063050499 179570173 /nfs/dbraw/zinc/57/01/73/179570173.db2.gz RFZQPZQQMUCGMU-NSHDSACASA-N 1 0 237.303 0.178 10 0 BCAERO Cc1cncc(C(=O)N2CC[C@@H]([NH3+])[C@H]2C)c1 ZINC000335555426 179661415 /nfs/dbraw/zinc/66/14/15/179661415.db2.gz DRFWTCGODGARML-MWLCHTKSSA-N 1 0 219.288 0.952 10 0 BCAERO CC(C)(C)[NH2+]C[C@@H](O)C(=O)N1CCCC1 ZINC000669383841 538013358 /nfs/dbraw/zinc/01/33/58/538013358.db2.gz ZCQFXESUFWTUGC-SECBINFHSA-N 1 0 214.309 0.358 10 0 BCAERO CC(C)[NH2+]C[C@@]1(O)CCNCC1(F)F ZINC000669383618 538013750 /nfs/dbraw/zinc/01/37/50/538013750.db2.gz VWOWHJDWVIZOCW-QMMMGPOBSA-N 1 0 208.252 0.344 10 0 BCAERO [NH3+][C@@H]1C[C@]12CNc1cc3c(cc12)OCCO3 ZINC000725247069 538011935 /nfs/dbraw/zinc/01/19/35/538011935.db2.gz GNLLQWWYRQPHOV-VXGBXAGGSA-N 1 0 218.256 0.852 10 0 BCAERO C[NH2+][C@H](C)C(=O)Nc1ccc(CCO)cc1 ZINC000054076092 348878435 /nfs/dbraw/zinc/87/84/35/348878435.db2.gz DRINETLBPUWZCW-SECBINFHSA-N 1 0 222.288 0.768 10 0 BCAERO C[NH2+][C@H](C)C(=O)NCCCOC[C@@H]1CCCO1 ZINC000054076194 348878481 /nfs/dbraw/zinc/87/84/81/348878481.db2.gz ICIDOJOSPXDBLR-MNOVXSKESA-N 1 0 244.335 0.296 10 0 BCAERO C[NH2+][C@H](C)C(=O)NCCOc1ccccc1 ZINC000054076706 348880051 /nfs/dbraw/zinc/88/00/51/348880051.db2.gz NAFFTMMKPIECCK-SNVBAGLBSA-N 1 0 222.288 0.790 10 0 BCAERO C[NH2+][C@H](C)C(=O)NCCCCn1ccnc1 ZINC000054076818 348880233 /nfs/dbraw/zinc/88/02/33/348880233.db2.gz CAYUQEQJYDUMPF-SNVBAGLBSA-N 1 0 224.308 0.387 10 0 BCAERO CC[C@@H]1CO[C@@H](C)CN1C(=O)[C@@H](C)[NH2+]C ZINC000054072385 348888481 /nfs/dbraw/zinc/88/84/81/348888481.db2.gz UNLZDDLINLHMAM-IVZWLZJFSA-N 1 0 214.309 0.620 10 0 BCAERO CC(C)(C)C(=O)N[C@@]1(CO)CCC[NH2+]C1 ZINC000669384712 538017199 /nfs/dbraw/zinc/01/71/99/538017199.db2.gz CADXUOUWZOHRJZ-NSHDSACASA-N 1 0 214.309 0.263 10 0 BCAERO O=C(N[C@]1(CO)CCC[NH2+]C1)C1CCC1 ZINC000669384926 538017994 /nfs/dbraw/zinc/01/79/94/538017994.db2.gz NXQRSMYABWQKRM-LLVKDONJSA-N 1 0 212.293 0.017 10 0 BCAERO CCN1CCN(C(=O)C[C@H]2CCC[NH2+]C2)CC1 ZINC000054290198 348962172 /nfs/dbraw/zinc/96/21/72/348962172.db2.gz GEHIHOZKQIDIIW-GFCCVEGCSA-N 1 0 239.363 0.540 10 0 BCAERO CCOCCCNC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054290177 348962201 /nfs/dbraw/zinc/96/22/01/348962201.db2.gz NVFGPDRCYSITQP-NSHDSACASA-N 1 0 228.336 0.919 10 0 BCAERO C[C@@H]1C[C@H](NC(=O)[C@@]2(C)CCCC[NH2+]2)CO1 ZINC000401988850 349040434 /nfs/dbraw/zinc/04/04/34/349040434.db2.gz CBBKDSPJVOUWSQ-JFGNBEQYSA-N 1 0 226.320 0.812 10 0 BCAERO COc1ccc(C[NH2+]CC(N)=O)cc1OC ZINC000022141382 187420340 /nfs/dbraw/zinc/42/03/40/187420340.db2.gz FRZMWHZVSIZINU-UHFFFAOYSA-N 1 0 224.260 0.279 10 0 BCAERO CC(C)N(CC1CC1)C(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000042591693 187431390 /nfs/dbraw/zinc/43/13/90/187431390.db2.gz DCHQIWOEYOQCTF-WDEREUQCSA-N 1 0 226.320 0.356 10 0 BCAERO CC1(C(=O)N2CC3(C2)CC[NH2+]CC3)CC1 ZINC000616572676 349062776 /nfs/dbraw/zinc/06/27/76/349062776.db2.gz TZHVCNUSAYIIQI-UHFFFAOYSA-N 1 0 208.305 0.999 10 0 BCAERO CC[C@H]1CC[NH2+]C[C@H]1NC(=O)C[NH+](C)C ZINC000616573235 349067972 /nfs/dbraw/zinc/06/79/72/349067972.db2.gz ZFYUAKWZHYNLAC-VHSXEESVSA-N 1 0 213.325 0.052 10 0 BCAERO O[C@]1(COc2ccccc2)C[NH2+]CCOC1 ZINC000616577486 349114092 /nfs/dbraw/zinc/11/40/92/349114092.db2.gz FXMMGICCTCUMQR-GFCCVEGCSA-N 1 0 223.272 0.416 10 0 BCAERO C[C@H](CO)[NH2+][C@H]1CCCN2CCSC[C@@H]12 ZINC000616577605 349115758 /nfs/dbraw/zinc/11/57/58/349115758.db2.gz JHLJMKVGOOPLOC-VWYCJHECSA-N 1 0 230.377 0.537 10 0 BCAERO C[C@H](CO)[NH2+][C@@H]1CCCN2CCSC[C@@H]12 ZINC000616577602 349115831 /nfs/dbraw/zinc/11/58/31/349115831.db2.gz JHLJMKVGOOPLOC-MXWKQRLJSA-N 1 0 230.377 0.537 10 0 BCAERO Cc1ccnc(N2CCN(C)C[C@H]2C[NH3+])c1 ZINC000251000162 349180946 /nfs/dbraw/zinc/18/09/46/349180946.db2.gz WEMHCKPKAWBSMR-LLVKDONJSA-N 1 0 220.320 0.469 10 0 BCAERO C[NH2+][C@@H](Cn1cc(S(C)(=O)=O)cn1)C(C)C ZINC000725251896 538032307 /nfs/dbraw/zinc/03/23/07/538032307.db2.gz HQTHONPDKAFYAC-JTQLQIEISA-N 1 0 245.348 0.531 10 0 BCAERO Cc1csc(N2CCN([C@@H](C)C[NH3+])CC2)n1 ZINC000058022192 179783352 /nfs/dbraw/zinc/78/33/52/179783352.db2.gz UJOMGXHGXUKTMF-JTQLQIEISA-N 1 0 240.376 0.921 10 0 BCAERO CS(=O)(=O)c1cnn([C@H]2CCC[C@H]2C[NH3+])c1 ZINC000725251579 538030754 /nfs/dbraw/zinc/03/07/54/538030754.db2.gz BXKHDTNQFWZHSM-WPRPVWTQSA-N 1 0 243.332 0.587 10 0 BCAERO CC(C)c1cc(N2CCN(C)C[C@H]2C[NH3+])ncn1 ZINC000250579112 349174997 /nfs/dbraw/zinc/17/49/97/349174997.db2.gz RVNSPWOGBBUPDE-LLVKDONJSA-N 1 0 249.362 0.679 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)O1 ZINC000253195773 349228022 /nfs/dbraw/zinc/22/80/22/349228022.db2.gz RXWQBSOWZXGHCN-IRCOFANPSA-N 1 0 240.347 0.997 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)N[C@@H]2CC[NH2+]C[C@H]2C)O1 ZINC000251990179 349195087 /nfs/dbraw/zinc/19/50/87/349195087.db2.gz ZGGOGNHDWCGOBW-GWOFURMSSA-N 1 0 226.320 0.668 10 0 BCAERO CC(C)(C)[C@@H]([NH3+])Cn1cc(S(C)(=O)=O)cn1 ZINC000725252531 538033669 /nfs/dbraw/zinc/03/36/69/538033669.db2.gz MVFVHRVEHLKVFB-VIFPVBQESA-N 1 0 245.348 0.660 10 0 BCAERO CC[NH2+][C@H](C)[C@@H](C)n1cc(S(C)(=O)=O)cn1 ZINC000725253545 538037407 /nfs/dbraw/zinc/03/74/07/538037407.db2.gz WRZURWQIWKSVSW-RKDXNWHRSA-N 1 0 245.348 0.846 10 0 BCAERO C[C@H]1C[C@@H](NC(=O)C2(C[NH3+])CCOCC2)CO1 ZINC000402052254 349277926 /nfs/dbraw/zinc/27/79/26/349277926.db2.gz NLAUWIGORRUHQV-VHSXEESVSA-N 1 0 242.319 0.036 10 0 BCAERO CC(C)[NH2+]CCCn1cc(S(C)(=O)=O)cn1 ZINC000725253403 538038198 /nfs/dbraw/zinc/03/81/98/538038198.db2.gz VAKAUZAWWIMJLN-UHFFFAOYSA-N 1 0 245.348 0.675 10 0 BCAERO CC[C@@H](C)[C@H]([NH3+])Cn1cc(S(C)(=O)=O)cn1 ZINC000725253644 538039107 /nfs/dbraw/zinc/03/91/07/538039107.db2.gz YQECKLQNIITWKI-PSASIEDQSA-N 1 0 245.348 0.660 10 0 BCAERO CC[C@@H](C)[C@@H]([NH3+])Cn1cc(S(C)(=O)=O)cn1 ZINC000725253647 538039264 /nfs/dbraw/zinc/03/92/64/538039264.db2.gz YQECKLQNIITWKI-SCZZXKLOSA-N 1 0 245.348 0.660 10 0 BCAERO Cc1ncc(C[NH2+]C[C@@H]2CN(C)CCO2)o1 ZINC000397913717 362947204 /nfs/dbraw/zinc/94/72/04/362947204.db2.gz IYZBIDNUMZOEJU-LLVKDONJSA-N 1 0 225.292 0.403 10 0 BCAERO C[C@@H]1C[NH2+]CCN1c1ncnc2c1CCC2 ZINC000061277742 349373767 /nfs/dbraw/zinc/37/37/67/349373767.db2.gz OTHANZIZHVHSAI-SECBINFHSA-N 1 0 218.304 0.763 10 0 BCAERO [NH3+]CCN1c2ccccc2NC[C@@H]1CCO ZINC000616586349 349382900 /nfs/dbraw/zinc/38/29/00/349382900.db2.gz VPXBEEPNCZBRGZ-JTQLQIEISA-N 1 0 221.304 0.628 10 0 BCAERO CCCN1C(=O)CC[C@@H]([NH3+])[C@H]1c1cncn1C ZINC000090166875 191001215 /nfs/dbraw/zinc/00/12/15/191001215.db2.gz KYQPKRFMRALAID-SKDRFNHKSA-N 1 0 236.319 0.821 10 0 BCAERO CCCN1C(=O)CC[C@H]([NH3+])[C@@H]1c1cncn1C ZINC000090166880 191001493 /nfs/dbraw/zinc/00/14/93/191001493.db2.gz KYQPKRFMRALAID-JOYOIKCWSA-N 1 0 236.319 0.821 10 0 BCAERO C[C@]1(C(=O)NCCn2cccn2)CCC[NH2+]1 ZINC000070619125 350028812 /nfs/dbraw/zinc/02/88/12/350028812.db2.gz YPGACOPHUQWSQY-LLVKDONJSA-N 1 0 222.292 0.141 10 0 BCAERO CC[NH2+]CCCNc1nccn2cnnc12 ZINC000070616634 350030435 /nfs/dbraw/zinc/03/04/35/350030435.db2.gz HHHXKJCXIHXNEU-UHFFFAOYSA-N 1 0 220.280 0.536 10 0 BCAERO CC(=O)c1csc(NC(=O)[C@H]2CC[NH2+]C2)n1 ZINC000070886127 350072930 /nfs/dbraw/zinc/07/29/30/350072930.db2.gz JWBHGTUMDXMHNR-ZETCQYMHSA-N 1 0 239.300 0.894 10 0 BCAERO Nc1ncc(CN2CCC[C@H]2C[NH3+])s1 ZINC000307505267 323240809 /nfs/dbraw/zinc/24/08/09/323240809.db2.gz KYSIJTXWRUMRMY-ZETCQYMHSA-N 1 0 212.322 0.648 10 0 BCAERO CC1(C[NH2+][C@@H]2CCc3ncnn3C2)CC1 ZINC000309121839 350036323 /nfs/dbraw/zinc/03/63/23/350036323.db2.gz OBSLKYSCZGTUJI-SECBINFHSA-N 1 0 206.293 0.983 10 0 BCAERO O=C1c2ccccc2C(=O)N1[C@@H]1CC[NH2+]C1 ZINC000051783683 350110675 /nfs/dbraw/zinc/11/06/75/350110675.db2.gz YPYAXLYQTIYYFM-MRVPVSSYSA-N 1 0 216.240 0.645 10 0 BCAERO Cc1nc(N[C@H]2CCC[NH2+]C2)[nH]c(=O)c1C ZINC000045946931 180025700 /nfs/dbraw/zinc/02/57/00/180025700.db2.gz VMGQWPWJCSQWIK-VIFPVBQESA-N 1 0 222.292 0.551 10 0 BCAERO [NH3+]Cc1ccc2c(c1)C[NH2+][C@@H](C(=O)[O-])C2 ZINC000725255441 538051968 /nfs/dbraw/zinc/05/19/68/538051968.db2.gz BHLMPXYRJYHJGZ-SNVBAGLBSA-N 1 0 206.245 0.244 10 0 BCAERO CN(c1ccc(C[NH3+])c(F)c1)S(C)(=O)=O ZINC000725255463 538052125 /nfs/dbraw/zinc/05/21/25/538052125.db2.gz CEOFCSHOODBDRJ-UHFFFAOYSA-N 1 0 232.280 0.680 10 0 BCAERO CCNC(=O)NC[C@H]([NH3+])C1CCOCC1 ZINC000725255260 538052179 /nfs/dbraw/zinc/05/21/79/538052179.db2.gz XPOOJDDAAXPCSA-VIFPVBQESA-N 1 0 215.297 0.059 10 0 BCAERO Cn1ncc(Br)c1[C@@H](O)CC[NH3+] ZINC000122940705 538050857 /nfs/dbraw/zinc/05/08/57/538050857.db2.gz IQJSWWMRSDTADM-LURJTMIESA-N 1 0 234.097 0.565 10 0 BCAERO [NH3+]C1([C@@H]2CCCO2)CCS(=O)(=O)CC1 ZINC000725255212 538051138 /nfs/dbraw/zinc/05/11/38/538051138.db2.gz WIHXLQNOGDACJM-QMMMGPOBSA-N 1 0 219.306 0.072 10 0 BCAERO CCC[C@@]1(C)[C@H]([NH3+])CS(=O)(=O)N1C ZINC000725256340 538056972 /nfs/dbraw/zinc/05/69/72/538056972.db2.gz FXPDVLAIMOOQKE-SFYZADRCSA-N 1 0 206.311 0.148 10 0 BCAERO CC[NH2+][C@@H](C(N)=O)[C@@H](C)n1nccc1C ZINC000725255993 538054445 /nfs/dbraw/zinc/05/44/45/538054445.db2.gz OCINDUGJDXGYOV-RKDXNWHRSA-N 1 0 210.281 0.216 10 0 BCAERO Nc1cc(C[NH3+])c(Br)cn1 ZINC000219925673 350149893 /nfs/dbraw/zinc/14/98/93/350149893.db2.gz JPURWUADHOMPAU-UHFFFAOYSA-N 1 0 202.055 0.885 10 0 BCAERO CC[C@H](NC(=O)C[C@@H]([NH3+])C(C)C)C(=O)OC ZINC000303962248 350134468 /nfs/dbraw/zinc/13/44/68/350134468.db2.gz AITPPTZPENWYKG-BDAKNGLRSA-N 1 0 230.308 0.428 10 0 BCAERO C[C@@H]1C[C@H](C)[C@@H](S(C)(=O)=O)[C@@H]([NH3+])C1 ZINC000219734015 350138329 /nfs/dbraw/zinc/13/83/29/350138329.db2.gz NDWQBVOMQFZUEP-RYPBNFRJSA-N 1 0 205.323 0.793 10 0 BCAERO NS(=O)(=O)C1CCN(c2cc[nH+]cc2)CC1 ZINC000050350483 538056296 /nfs/dbraw/zinc/05/62/96/538056296.db2.gz AREMKYJEHKUZQO-UHFFFAOYSA-N 1 0 241.316 0.339 10 0 BCAERO [NH3+]Cc1cccc2c1C[C@@H](C(=O)[O-])[NH2+]C2 ZINC000725255599 538053335 /nfs/dbraw/zinc/05/33/35/538053335.db2.gz FTKBDDGMAHENDE-JTQLQIEISA-N 1 0 206.245 0.244 10 0 BCAERO CCCC[C@@]1(C)[C@H]([NH3+])CS(=O)(=O)N1C ZINC000725256289 538057077 /nfs/dbraw/zinc/05/70/77/538057077.db2.gz BDXCELTWULMOPL-BDAKNGLRSA-N 1 0 220.338 0.538 10 0 BCAERO CCN1C2(CCCCC2)[C@H]([NH3+])CS1(=O)=O ZINC000725256562 538058291 /nfs/dbraw/zinc/05/82/91/538058291.db2.gz UVODDVCUEJNVSH-SECBINFHSA-N 1 0 232.349 0.682 10 0 BCAERO Cc1nc2ccccc2n(C[C@@H](O)C[NH3+])c1=O ZINC000052099175 180102200 /nfs/dbraw/zinc/10/22/00/180102200.db2.gz AUYNCWIXKUJDHI-VIFPVBQESA-N 1 0 233.271 0.025 10 0 BCAERO CCn1nnc(C[NH2+]C2CC2)c1-c1ccnn1C ZINC000725257565 538064869 /nfs/dbraw/zinc/06/48/69/538064869.db2.gz RDXJWKAFFUCRRJ-UHFFFAOYSA-N 1 0 246.318 0.951 10 0 BCAERO Cc1nc2sccn2c1C[NH2+]CC(N)=O ZINC000037183896 180117638 /nfs/dbraw/zinc/11/76/38/180117638.db2.gz OEWCZYVLXQZRFM-UHFFFAOYSA-N 1 0 224.289 0.279 10 0 BCAERO Cc1nc[nH]c1CNC(=O)[C@H]1CCC[NH2+][C@@H]1C ZINC000335662345 180120020 /nfs/dbraw/zinc/12/00/20/180120020.db2.gz JUCVQYVMEVVZPT-SCZZXKLOSA-N 1 0 236.319 0.722 10 0 BCAERO Cc1nc[nH]c1C[NH2+][C@H](C)C(=O)N(C)C ZINC000054794636 180121855 /nfs/dbraw/zinc/12/18/55/180121855.db2.gz AMRAONVXAWPTHP-MRVPVSSYSA-N 1 0 210.281 0.284 10 0 BCAERO Cc1nc[nH]c1C[NH2+][C@H]1CCCCNC1=O ZINC000054795101 180122062 /nfs/dbraw/zinc/12/20/62/180122062.db2.gz VTMALWCMFKISPC-VIFPVBQESA-N 1 0 222.292 0.476 10 0 BCAERO CC(=O)N(Cc1cncnc1)[C@H]1CCC[NH2+]CC1 ZINC000098209951 191061284 /nfs/dbraw/zinc/06/12/84/191061284.db2.gz RSNPRSDXXOKZLL-ZDUSSCGKSA-N 1 0 248.330 0.967 10 0 BCAERO Cc1cc(NC[C@@H](C)C[NH3+])n2ncnc2n1 ZINC000083387669 350192699 /nfs/dbraw/zinc/19/26/99/350192699.db2.gz PGYQKECNWCWDJJ-ZETCQYMHSA-N 1 0 220.280 0.439 10 0 BCAERO CCn1nnc(C[NH3+])c1-c1ccnn1C ZINC000725257606 538067242 /nfs/dbraw/zinc/06/72/42/538067242.db2.gz TVDYTSPSOFEQKA-UHFFFAOYSA-N 1 0 206.253 0.157 10 0 BCAERO Cc1ncc(C[NH2+][C@H]2CCCNC2=O)s1 ZINC000050393635 180159003 /nfs/dbraw/zinc/15/90/03/180159003.db2.gz WDAOMHGVMGLBPB-VIFPVBQESA-N 1 0 225.317 0.820 10 0 BCAERO C[C@H](C(N)=S)[N@@H+]1CCC[C@@H](CO)C1 ZINC000221211500 350200501 /nfs/dbraw/zinc/20/05/01/350200501.db2.gz CGJJENJZKHMGKK-HTQZYQBOSA-N 1 0 202.323 0.365 10 0 BCAERO Cc1ncc(S(=O)(=O)NCC[C@@H](C)[NH3+])s1 ZINC000226709702 180171710 /nfs/dbraw/zinc/17/17/10/180171710.db2.gz WQLHOZFVVLWYNR-ZCFIWIBFSA-N 1 0 249.361 0.467 10 0 BCAERO Cc1ncc(C[NH2+]C(C)(C)C(N)=O)s1 ZINC000040674756 180150459 /nfs/dbraw/zinc/15/04/59/180150459.db2.gz XISDZKJSUPVYKW-UHFFFAOYSA-N 1 0 213.306 0.805 10 0 BCAERO Cc1ncc(CNC(=O)[C@@H]2CC[NH2+]C2)s1 ZINC000062116364 180150507 /nfs/dbraw/zinc/15/05/07/180150507.db2.gz UDVXHHZQCZIBLR-MRVPVSSYSA-N 1 0 225.317 0.677 10 0 BCAERO Cc1nccc(C[NH2+][C@@H]2CCC(=O)N[C@@H]2C)n1 ZINC000339393219 180191816 /nfs/dbraw/zinc/19/18/16/180191816.db2.gz NQQDBMZJZWCCOL-LDYMZIIASA-N 1 0 234.303 0.542 10 0 BCAERO CC[C@@H]1C[C@]1([NH3+])[C@@H]1CCS(=O)(=O)C1 ZINC000150331655 350205118 /nfs/dbraw/zinc/20/51/18/350205118.db2.gz JGNPYCWDXKXCSE-IWSPIJDZSA-N 1 0 203.307 0.549 10 0 BCAERO Cc1nccc(CN2CC[NH2+][C@H](C)CC2)n1 ZINC000045007790 180184447 /nfs/dbraw/zinc/18/44/47/180184447.db2.gz QAPALNOXPDSVLZ-SNVBAGLBSA-N 1 0 220.320 0.969 10 0 BCAERO Cc1nccc(CNC2CC[NH+](C)CC2)n1 ZINC000038037284 180187798 /nfs/dbraw/zinc/18/77/98/180187798.db2.gz GORHRFJCOACRGP-UHFFFAOYSA-N 1 0 220.320 0.969 10 0 BCAERO Cc1nccc(CNC(=O)[C@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000070576853 180188010 /nfs/dbraw/zinc/18/80/10/180188010.db2.gz DXTDLIFYJJLDAZ-WDEREUQCSA-N 1 0 248.330 0.919 10 0 BCAERO Cc1nccc(CNC[C@H]2CC[N@@H+](C)C2)n1 ZINC000054790676 180189192 /nfs/dbraw/zinc/18/91/92/180189192.db2.gz SCUHRTLEJFCZSH-LLVKDONJSA-N 1 0 220.320 0.826 10 0 BCAERO Cc1ncccc1C(=O)N1CC[C@H]([NH3+])[C@H]1C ZINC000309345196 180209903 /nfs/dbraw/zinc/20/99/03/180209903.db2.gz WGKWZQAEWCVPFM-KOLCDFICSA-N 1 0 219.288 0.952 10 0 BCAERO CCN(CC)C(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725258319 538072506 /nfs/dbraw/zinc/07/25/06/538072506.db2.gz OHRNNSYGIIAAFU-UHFFFAOYSA-N 1 0 237.307 0.901 10 0 BCAERO Cc1nccn1-c1cc(C(N)=[NH2+])ccn1 ZINC000019434785 180229325 /nfs/dbraw/zinc/22/93/25/180229325.db2.gz UUQFATXPBPEIRF-UHFFFAOYSA-N 1 0 201.233 0.860 10 0 BCAERO Cc1nccnc1N(C)C[C@@H]1CCC[NH2+]1 ZINC000095070958 180274722 /nfs/dbraw/zinc/27/47/22/180274722.db2.gz NRMXLAULHHFVKM-JTQLQIEISA-N 1 0 206.293 0.973 10 0 BCAERO Cc1nccnc1N(C)C[C@H]1CC[NH2+]C1 ZINC000095071239 180275331 /nfs/dbraw/zinc/27/53/31/180275331.db2.gz CKUUZHTYSRNLKG-JTQLQIEISA-N 1 0 206.293 0.831 10 0 BCAERO COC1(OC)CC[C@@H](CO)C[C@@H]1CC[NH3+] ZINC000725262001 538087790 /nfs/dbraw/zinc/08/77/90/538087790.db2.gz QGEBESZPDAQJCW-ZJUUUORDSA-N 1 0 217.309 0.733 10 0 BCAERO Cc1nccn1C[C@H]1CCC[N@@H+]1CC(N)=O ZINC000178314417 180268680 /nfs/dbraw/zinc/26/86/80/180268680.db2.gz HOPDHNCTFKJYHX-SNVBAGLBSA-N 1 0 222.292 0.141 10 0 BCAERO OC[C@H]1C[C@@H](O)CN1Cc1cncc(Cl)c1 ZINC000621271842 350321964 /nfs/dbraw/zinc/32/19/64/350321964.db2.gz VOHBJZOQYOXWQX-GHMZBOCLSA-N 1 0 242.706 0.663 10 0 BCAERO Cc1nccnc1[S@@](=O)[C@@H]1CC[NH2+]C1 ZINC000095068777 180283680 /nfs/dbraw/zinc/28/36/80/180283680.db2.gz IHDXXSHVTNBVTC-XLKFXECMSA-N 1 0 211.290 0.255 10 0 BCAERO Cc1ncn(-c2nccnc2C[NH3+])c1C ZINC000054378327 180285238 /nfs/dbraw/zinc/28/52/38/180285238.db2.gz NQRDHOPNEUOOJE-UHFFFAOYSA-N 1 0 203.249 0.738 10 0 BCAERO Cn1cc(Br)cc1C(=O)NCC[NH3+] ZINC000037902492 350290685 /nfs/dbraw/zinc/29/06/85/350290685.db2.gz FIJYZACTRMOIMI-UHFFFAOYSA-N 1 0 246.108 0.476 10 0 BCAERO Cc1ncn(CCC(=O)N(C)CCC[NH3+])c1C ZINC000051926141 180285520 /nfs/dbraw/zinc/28/55/20/180285520.db2.gz KDKIVXCBMKONQQ-UHFFFAOYSA-N 1 0 238.335 0.697 10 0 BCAERO NC(=O)[C@@]1(N)CCC[N@H+](Cc2ccccc2)C1 ZINC000037870596 350294523 /nfs/dbraw/zinc/29/45/23/350294523.db2.gz YYPNAVMGDFZQPN-CYBMUJFWSA-N 1 0 233.315 0.465 10 0 BCAERO Cc1ncsc1CN1CCO[C@@H](CO)C1 ZINC000128407196 180315031 /nfs/dbraw/zinc/31/50/31/180315031.db2.gz AFAATWKTHRQJKE-SECBINFHSA-N 1 0 228.317 0.645 10 0 BCAERO Cc1ncoc1C(=O)N[C@H]1CCC[NH2+][C@@H]1C ZINC000129456231 180300884 /nfs/dbraw/zinc/30/08/84/180300884.db2.gz IQARZCIEBPWJRK-APPZFPTMSA-N 1 0 223.276 0.853 10 0 BCAERO Cc1ncsc1C(=O)NC1CC([NH3+])C1 ZINC000036237330 180303338 /nfs/dbraw/zinc/30/33/38/180303338.db2.gz UNEWCSFSJOXOOQ-UHFFFAOYSA-N 1 0 211.290 0.671 10 0 BCAERO Cc1ncsc1C(=O)N1C[C@H]([NH3+])[C@@H](C)C1 ZINC000235636163 180303363 /nfs/dbraw/zinc/30/33/63/180303363.db2.gz BLIFNIUFIRULKA-XPUUQOCRSA-N 1 0 225.317 0.871 10 0 BCAERO Cc1ncsc1[C@H](C)[NH2+][C@H](C)C(N)=O ZINC000037261525 180326440 /nfs/dbraw/zinc/32/64/40/180326440.db2.gz CMSUUNNFOIXUDQ-NKWVEPMBSA-N 1 0 213.306 0.976 10 0 BCAERO Cc1ncsc1CNC(=O)[C@@H](C)C1C[NH2+]C1 ZINC000129236964 180318746 /nfs/dbraw/zinc/31/87/46/180318746.db2.gz VWMLGRSJZCVPGL-ZETCQYMHSA-N 1 0 239.344 0.923 10 0 BCAERO C[C@H](C(N)=S)[N@@H+]1C[C@@H](C)[C@@H](N(C)C)C1 ZINC000226073852 350398860 /nfs/dbraw/zinc/39/88/60/350398860.db2.gz ACVVWLYSAMFYTF-HLTSFMKQSA-N 1 0 215.366 0.543 10 0 BCAERO COC(=O)CCCNC(=O)C1CCC([NH3+])CC1 ZINC000040832182 350399888 /nfs/dbraw/zinc/39/98/88/350399888.db2.gz GWMVFFWDYLBJDU-UHFFFAOYSA-N 1 0 242.319 0.573 10 0 BCAERO Cc1nn(C)c(C)c1[C@@H]([NH2+]CC(C)C)C(N)=O ZINC000037946322 180346470 /nfs/dbraw/zinc/34/64/70/180346470.db2.gz WQQUHWLHVKWOHN-LLVKDONJSA-N 1 0 238.335 0.809 10 0 BCAERO Cc1nn(C)c(C)c1[C@@H](C)[NH2+]CC(N)=O ZINC000045166818 180347664 /nfs/dbraw/zinc/34/76/64/180347664.db2.gz VPUOSWKUYHGKOH-ZCFIWIBFSA-N 1 0 210.281 0.173 10 0 BCAERO Cc1nn(C)c(N2CCC[N@@H+]3CCC[C@@H]3C2)c1N ZINC000062940805 180354531 /nfs/dbraw/zinc/35/45/31/180354531.db2.gz SCTAWTNVDTZNJH-LLVKDONJSA-N 1 0 249.362 0.985 10 0 BCAERO Cc1nn(C)c(N2CCC([NH+](C)C)CC2)c1N ZINC000036191129 180355735 /nfs/dbraw/zinc/35/57/35/180355735.db2.gz LVTRTGQYTICQLJ-UHFFFAOYSA-N 1 0 237.351 0.841 10 0 BCAERO Cc1nn(C)c(N[C@H]2CC[N@H+](C)C2)c1N ZINC000042545066 180359446 /nfs/dbraw/zinc/35/94/46/180359446.db2.gz ZGKBDNLSKXOVDK-QMMMGPOBSA-N 1 0 209.297 0.427 10 0 BCAERO Cc1nn(C)c(OC2CC[NH+](C)CC2)c1N ZINC000041018640 180360836 /nfs/dbraw/zinc/36/08/36/180360836.db2.gz WAWUBQGKFMIPBS-UHFFFAOYSA-N 1 0 224.308 0.784 10 0 BCAERO CC1(C[NH3+])CCN(S(C)(=O)=O)CC1 ZINC000226310817 350416993 /nfs/dbraw/zinc/41/69/93/350416993.db2.gz NOOIFVPEGGGLBD-UHFFFAOYSA-N 1 0 206.311 0.007 10 0 BCAERO Cc1nn(C)c(C)c1CN1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000235339581 180338242 /nfs/dbraw/zinc/33/82/42/180338242.db2.gz ARLCNKLEZLEILW-PELKAZGASA-N 1 0 222.336 0.816 10 0 BCAERO Cc1nn(C)cc1C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000113170024 180366313 /nfs/dbraw/zinc/36/63/13/180366313.db2.gz XXXZFMWVJKXREO-SNVBAGLBSA-N 1 0 236.319 0.505 10 0 BCAERO C[N@@H+]1CCc2nnc(N3CC[C@@H](CO)C3)cc2C1 ZINC000725264894 538092576 /nfs/dbraw/zinc/09/25/76/538092576.db2.gz RSZSWEUYIURHIA-SNVBAGLBSA-N 1 0 248.330 0.283 10 0 BCAERO [NH3+]C[C@@H](c1ccsc1)N1CC[C@@H](O)C1 ZINC000227050570 350476667 /nfs/dbraw/zinc/47/66/67/350476667.db2.gz IHMGXVSOKKMRBI-ZJUUUORDSA-N 1 0 212.318 0.815 10 0 BCAERO Cc1nn(C[C@](C)([NH3+])C(N)=O)c(C)c1C ZINC000045438041 180391472 /nfs/dbraw/zinc/39/14/72/180391472.db2.gz CXLKKVJQHFXBLZ-JTQLQIEISA-N 1 0 210.281 0.011 10 0 BCAERO Cc1nn(C[C@](C)([NH3+])C(N)=O)c(C)c1Cl ZINC000050588309 180391504 /nfs/dbraw/zinc/39/15/04/180391504.db2.gz MYNZNHIJIPYDBI-VIFPVBQESA-N 1 0 230.699 0.356 10 0 BCAERO c1nnn(C2CC[NH2+]CC2)c1-c1cncnc1 ZINC000725265968 538094043 /nfs/dbraw/zinc/09/40/43/538094043.db2.gz BPQWJJSXUXRWQL-UHFFFAOYSA-N 1 0 230.275 0.660 10 0 BCAERO Cc1cc(C)nc(-c2cnnn2[C@@H]2CC[NH2+]C2)n1 ZINC000725266143 538094056 /nfs/dbraw/zinc/09/40/56/538094056.db2.gz PMJGLXMMJXCABG-SNVBAGLBSA-N 1 0 244.302 0.886 10 0 BCAERO Cc1nn(CC[NH+](C)C)c(N)c1Cl ZINC000054433463 180388211 /nfs/dbraw/zinc/38/82/11/180388211.db2.gz QAJBRWWABIWBDX-UHFFFAOYSA-N 1 0 202.689 0.989 10 0 BCAERO c1nnn([C@@H]2CCC[NH2+]C2)c1-c1cccnn1 ZINC000725266033 538094336 /nfs/dbraw/zinc/09/43/36/538094336.db2.gz HBTCEZGCPKAUGF-SECBINFHSA-N 1 0 230.275 0.660 10 0 BCAERO COc1ccc2[nH]c([C@@H]([NH3+])CO)nc2c1 ZINC000083187397 538095572 /nfs/dbraw/zinc/09/55/72/538095572.db2.gz SGJABBSOHQCUKJ-ZETCQYMHSA-N 1 0 207.233 0.564 10 0 BCAERO C[C@@H]1C[C@H](N2CC(=O)CC2=O)CC[N@@H+]1C ZINC000128841910 350577851 /nfs/dbraw/zinc/57/78/51/350577851.db2.gz GXUFSMWISPAVSJ-RKDXNWHRSA-N 1 0 210.277 0.271 10 0 BCAERO [NH3+]CCN1CCO[C@H](c2ccncn2)CC1 ZINC000616593632 350582614 /nfs/dbraw/zinc/58/26/14/350582614.db2.gz LADXTCFZKAAUDS-NSHDSACASA-N 1 0 222.292 0.199 10 0 BCAERO Cc1ccnc(-c2cnnn2[C@@H]2CC[NH2+]C2)n1 ZINC000725266198 538096006 /nfs/dbraw/zinc/09/60/06/538096006.db2.gz WDTHPQPGXSSMRO-SECBINFHSA-N 1 0 230.275 0.578 10 0 BCAERO [NH3+]CCN1CCO[C@H](Nc2ccccn2)CC1 ZINC000616594204 350593022 /nfs/dbraw/zinc/59/30/22/350593022.db2.gz ONINERGINGTHFT-LBPRGKRZSA-N 1 0 236.319 0.501 10 0 BCAERO C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CCCC[C@H]2O)C1 ZINC000386353444 362970929 /nfs/dbraw/zinc/97/09/29/362970929.db2.gz UZGROFRTXREACA-GRYCIOLGSA-N 1 0 240.347 0.605 10 0 BCAERO OCC[N@@H+]1CCO[C@@H](c2cncnc2)CC1 ZINC000616595502 350607197 /nfs/dbraw/zinc/60/71/97/350607197.db2.gz MXVYMFAZYVUHKD-LLVKDONJSA-N 1 0 223.276 0.232 10 0 BCAERO C[NH+](C)CC(=O)NC[C@@H]1CCCC[C@@H]1O ZINC000094755112 350607252 /nfs/dbraw/zinc/60/72/52/350607252.db2.gz RHQNTWTZYXSAQT-UWVGGRQHSA-N 1 0 214.309 0.215 10 0 BCAERO [NH3+]CCN1CCO[C@@H](n2ccnc2)CC1 ZINC000616596551 350633490 /nfs/dbraw/zinc/63/34/90/350633490.db2.gz ZYOIJPAHVLRYAI-SNVBAGLBSA-N 1 0 210.281 0.063 10 0 BCAERO CC(C)[C@H](O)C[N@@H+]1C[C@@H](C)[C@H](N(C)C)C1 ZINC000227236005 535150069 /nfs/dbraw/zinc/15/00/69/535150069.db2.gz HNDREJNJRGRKTJ-IJLUTSLNSA-N 1 0 214.353 0.885 10 0 BCAERO [NH3+]CCN1CCCO[C@@H](c2ncccn2)C1 ZINC000616597809 350653563 /nfs/dbraw/zinc/65/35/63/350653563.db2.gz GHRKXAVFRHKQCL-SNVBAGLBSA-N 1 0 222.292 0.199 10 0 BCAERO Cc1noc(COC[C@H]2CCC[NH2+]C2)n1 ZINC000051815181 180490373 /nfs/dbraw/zinc/49/03/73/180490373.db2.gz KLBNZOKVODHKIX-VIFPVBQESA-N 1 0 211.265 0.894 10 0 BCAERO Cc1noc(CCNC(=O)[C@H]2CCC[C@H]2[NH3+])n1 ZINC000226329005 180483841 /nfs/dbraw/zinc/48/38/41/180483841.db2.gz MGSWUHUQLYEEGH-DTWKUNHWSA-N 1 0 238.291 0.164 10 0 BCAERO Nc1cccc([C@@H]2CCOCCN2CC[NH3+])c1 ZINC000616598584 350675555 /nfs/dbraw/zinc/67/55/55/350675555.db2.gz PZYAKKFFEBWVTF-ZDUSSCGKSA-N 1 0 235.331 0.991 10 0 BCAERO COC[C@H](C)[NH2+][C@H]1CCN(C(C)=O)C[C@H]1C ZINC000309551624 350748996 /nfs/dbraw/zinc/74/89/96/350748996.db2.gz ILAPCJHGDZSYTF-SCVCMEIPSA-N 1 0 228.336 0.868 10 0 BCAERO Nc1ccccc1[C@H]1CCOCCN1CC[NH3+] ZINC000616599669 350755384 /nfs/dbraw/zinc/75/53/84/350755384.db2.gz UHAITSRJSPCVPO-CYBMUJFWSA-N 1 0 235.331 0.991 10 0 BCAERO C[C@H](O)CC[N@@H+]1CCCN(C)C[C@@H]1C ZINC000235532351 350718359 /nfs/dbraw/zinc/71/83/59/350718359.db2.gz UDTDMODAYODPQD-QWRGUYRKSA-N 1 0 200.326 0.783 10 0 BCAERO [NH3+]CCN1CCOCC[C@H]1c1ccno1 ZINC000616599307 350743030 /nfs/dbraw/zinc/74/30/30/350743030.db2.gz YURFNTFKBABBAP-VIFPVBQESA-N 1 0 211.265 0.397 10 0 BCAERO OCC[N@@H+]1CCC[C@@H](n2cccn2)CC1 ZINC000616601342 350782466 /nfs/dbraw/zinc/78/24/66/350782466.db2.gz OFBHDNQUTGZPRK-LLVKDONJSA-N 1 0 209.293 0.902 10 0 BCAERO CC(=O)N1CC[NH2+]C[C@H]1c1ccccc1CO ZINC000616604668 350793182 /nfs/dbraw/zinc/79/31/82/350793182.db2.gz MFWNIPZNXFVWLW-ZDUSSCGKSA-N 1 0 234.299 0.672 10 0 BCAERO [NH3+]CCN1CCCC[C@H](c2c[nH]cn2)C1 ZINC000616603907 350795865 /nfs/dbraw/zinc/79/58/65/350795865.db2.gz JSAAYVGOIBYPDW-JTQLQIEISA-N 1 0 208.309 0.938 10 0 BCAERO Nc1cccc([C@H]2CCC[N@@H+]2CCO)n1 ZINC000616606411 350797606 /nfs/dbraw/zinc/79/76/06/350797606.db2.gz ALEAWGAIBDQENQ-SNVBAGLBSA-N 1 0 207.277 0.793 10 0 BCAERO Nc1ncccc1[C@@H]1CCCN1CC[NH3+] ZINC000616607076 350800139 /nfs/dbraw/zinc/80/01/39/350800139.db2.gz FHFQHJBRTKGBEB-JTQLQIEISA-N 1 0 206.293 0.759 10 0 BCAERO NC(=O)c1cccc([C@H]2CCCN2CC[NH3+])c1 ZINC000616608296 350804490 /nfs/dbraw/zinc/80/44/90/350804490.db2.gz PDNXBPBWQAJIRU-GFCCVEGCSA-N 1 0 233.315 0.881 10 0 BCAERO NC(=O)c1cccc([C@@H]2CCC[N@@H+]2CCO)c1 ZINC000616608267 350804496 /nfs/dbraw/zinc/80/44/96/350804496.db2.gz QUZBOYUQEAVFIX-LBPRGKRZSA-N 1 0 234.299 0.915 10 0 BCAERO NC(=O)c1cccc([C@H]2CCC[N@@H+]2CCO)c1 ZINC000616608353 350804918 /nfs/dbraw/zinc/80/49/18/350804918.db2.gz QUZBOYUQEAVFIX-GFCCVEGCSA-N 1 0 234.299 0.915 10 0 BCAERO C[C@H]1[NH2+]CCC[C@@H]1C(=O)NCc1cocn1 ZINC000397990811 362981636 /nfs/dbraw/zinc/98/16/36/362981636.db2.gz WXDMBLYDBLNJMA-SCZZXKLOSA-N 1 0 223.276 0.679 10 0 BCAERO CC(C)[N@@H+]1CCC[C@@H](S(N)(=O)=O)CC1 ZINC000616611476 350809134 /nfs/dbraw/zinc/80/91/34/350809134.db2.gz RFAAGUJVLBLUFI-SECBINFHSA-N 1 0 220.338 0.538 10 0 BCAERO [NH3+]CCC1=NS(=O)(=O)c2ccccc21 ZINC000063046501 350813390 /nfs/dbraw/zinc/81/33/90/350813390.db2.gz JSJBVZMUMDWYGQ-UHFFFAOYSA-N 1 0 210.258 0.527 10 0 BCAERO OCC[N@@H+]1CC[C@@H](c2ccccc2CO)C1 ZINC000616614388 350831815 /nfs/dbraw/zinc/83/18/15/350831815.db2.gz MGDWCPKQEVBUFK-LLVKDONJSA-N 1 0 221.300 0.961 10 0 BCAERO [NH2+]=C(NCc1ccccc1)N1CCNC(=O)CC1 ZINC000306677816 350832696 /nfs/dbraw/zinc/83/26/96/350832696.db2.gz ZXWBAHINYCFSTA-UHFFFAOYSA-N 1 0 246.314 0.533 10 0 BCAERO C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(F)(F)F)C1 ZINC000159518251 350836446 /nfs/dbraw/zinc/83/64/46/350836446.db2.gz HBGFSRBQOQLDCS-RITPCOANSA-N 1 0 210.199 0.744 10 0 BCAERO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(F)(F)F)C1 ZINC000159517924 350836461 /nfs/dbraw/zinc/83/64/61/350836461.db2.gz HBGFSRBQOQLDCS-PHDIDXHHSA-N 1 0 210.199 0.744 10 0 BCAERO C[C@H]1[C@H](O)CCCN1Cc1cnns1 ZINC000306689913 350844102 /nfs/dbraw/zinc/84/41/02/350844102.db2.gz ACYZBIFHIMWALZ-IONNQARKSA-N 1 0 213.306 0.883 10 0 BCAERO [NH3+]CCNC(=O)[C@H]1CCCCC1(F)F ZINC000306701131 350850492 /nfs/dbraw/zinc/85/04/92/350850492.db2.gz GLUNAGBIJUFWSU-SSDOTTSWSA-N 1 0 206.236 0.887 10 0 BCAERO C[NH2+][C@@H](C)C(=O)N[C@H]1CCOC1(C)C ZINC000306702075 350851307 /nfs/dbraw/zinc/85/13/07/350851307.db2.gz LTMUGRHXFLKMQD-YUMQZZPRSA-N 1 0 200.282 0.278 10 0 BCAERO CC[C@@H](C)[N@@H+]1CCSC[C@H]1C(N)=O ZINC000306704340 350852006 /nfs/dbraw/zinc/85/20/06/350852006.db2.gz HCCZQOXHAJCOQY-SFYZADRCSA-N 1 0 202.323 0.688 10 0 BCAERO CC(C)[C@@H](C)[NH+]1CCC(O)(CO)CC1 ZINC000306675179 350826188 /nfs/dbraw/zinc/82/61/88/350826188.db2.gz SAPHCXUSTSRGEC-SNVBAGLBSA-N 1 0 201.310 0.850 10 0 BCAERO C[C@H](C(N)=S)[N@@H+]1CC[C@@H](O)C1(C)C ZINC000306733639 350903362 /nfs/dbraw/zinc/90/33/62/350903362.db2.gz TWSSBJWNUYEULL-RNFRBKRXSA-N 1 0 202.323 0.506 10 0 BCAERO CN(C1CC1)[C@@H]1CC2(CC[C@H]1[NH3+])OCCO2 ZINC000252438130 350910766 /nfs/dbraw/zinc/91/07/66/350910766.db2.gz ZQHGXQKSNGISRF-GHMZBOCLSA-N 1 0 226.320 0.704 10 0 BCAERO C[C@@H](C[N@@H+]1CCO[C@H](C)C1)C(N)=S ZINC000252434022 350911492 /nfs/dbraw/zinc/91/14/92/350911492.db2.gz GFQLSXQRQVHJTE-JGVFFNPUSA-N 1 0 202.323 0.629 10 0 BCAERO C[C@@H]1SCC[N@H+](C[C@@H](O)C[NH3+])[C@H]1C ZINC000253075636 350918580 /nfs/dbraw/zinc/91/85/80/350918580.db2.gz QPAZHGXTIRVRKB-CIUDSAMLSA-N 1 0 204.339 0.132 10 0 BCAERO [NH3+]CCN1CCC[C@H](OC(F)(F)F)C1 ZINC000616619844 350928366 /nfs/dbraw/zinc/92/83/66/350928366.db2.gz BFAXCRWTIPYLPU-ZETCQYMHSA-N 1 0 212.215 0.946 10 0 BCAERO Nc1cc2c(ncnc2NCC[NH3+])s1 ZINC000306749605 350933709 /nfs/dbraw/zinc/93/37/09/350933709.db2.gz LWGLPAJHFWWXCD-UHFFFAOYSA-N 1 0 209.278 0.644 10 0 BCAERO CCn1ccnc1CN(C)CC[N@H+](C)CCO ZINC000623091285 350872559 /nfs/dbraw/zinc/87/25/59/350872559.db2.gz WYTTXIYZSHUHDS-UHFFFAOYSA-N 1 0 240.351 0.259 10 0 BCAERO CN(CC[N@H+](C)CCO)Cc1cncs1 ZINC000623091298 350872595 /nfs/dbraw/zinc/87/25/95/350872595.db2.gz XFZQSSRPQPCBDN-UHFFFAOYSA-N 1 0 229.349 0.499 10 0 BCAERO CCCNC(=S)N1CC[N@@H+]2CC[C@H]1C2 ZINC000306713586 350875485 /nfs/dbraw/zinc/87/54/85/350875485.db2.gz VOTRIBNUMPKSOO-VIFPVBQESA-N 1 0 213.350 0.661 10 0 BCAERO C[NH2+][C@@H]1CSC[C@@H]1[C@H]1CCS(=O)(=O)C1 ZINC000250738694 350885882 /nfs/dbraw/zinc/88/58/82/350885882.db2.gz MCBNNVNQSSEPGT-DJLDLDEBSA-N 1 0 235.374 0.372 10 0 BCAERO CC(C)S(=O)(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC000306721993 350889130 /nfs/dbraw/zinc/88/91/30/350889130.db2.gz PHQLQCKNKSJEQP-SFYZADRCSA-N 1 0 206.311 0.146 10 0 BCAERO CC[S@@](=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000306728540 350897258 /nfs/dbraw/zinc/89/72/58/350897258.db2.gz BSVNHUDHOBZTGL-VYUIOLGVSA-N 1 0 202.323 0.496 10 0 BCAERO COC(=O)CCNC(=O)C[C@H]([NH3+])C(C)C ZINC000128994472 350962568 /nfs/dbraw/zinc/96/25/68/350962568.db2.gz NRIHZODDPZYABS-QMMMGPOBSA-N 1 0 216.281 0.039 10 0 BCAERO Nc1ncc([C@H](O)C2CC[NH2+]CC2)s1 ZINC000159852083 351017686 /nfs/dbraw/zinc/01/76/86/351017686.db2.gz CPCFEQUBVSVQNN-MRVPVSSYSA-N 1 0 213.306 0.758 10 0 BCAERO [NH3+]C1CN(c2ccncc2Br)C1 ZINC000159909741 351024853 /nfs/dbraw/zinc/02/48/53/351024853.db2.gz KUJBMOTZHGZLIH-UHFFFAOYSA-N 1 0 228.093 0.991 10 0 BCAERO C[C@H](C[NH3+])N(C)c1cn[nH]c(=O)c1Cl ZINC000306781464 351026478 /nfs/dbraw/zinc/02/64/78/351026478.db2.gz JRLGHQOGPRZQAU-RXMQYKEDSA-N 1 0 216.672 0.207 10 0 BCAERO C[C@H]1CCSC(NCCS(C)(=O)=O)=[NH+]1 ZINC000133516832 351030339 /nfs/dbraw/zinc/03/03/39/351030339.db2.gz BICSUAPLIDBXEJ-ZETCQYMHSA-N 1 0 236.362 0.502 10 0 BCAERO COC1(C)CN(c2nc(C[NH3+])cs2)C1 ZINC000306789978 351039323 /nfs/dbraw/zinc/03/93/23/351039323.db2.gz UQTJEVVQRFULPH-UHFFFAOYSA-N 1 0 213.306 0.827 10 0 BCAERO Cc1nnsc1CN1CC[C@@H]([NH3+])[C@@H]1C ZINC000306789483 351039381 /nfs/dbraw/zinc/03/93/81/351039381.db2.gz TWVFVGMCPZEEKY-JGVFFNPUSA-N 1 0 212.322 0.768 10 0 BCAERO CN(C1C[NH2+]C1)[S@@](=O)c1ccccc1 ZINC000306795823 351043939 /nfs/dbraw/zinc/04/39/39/351043939.db2.gz GXAVZCPHHQRUSG-AWEZNQCLSA-N 1 0 210.302 0.613 10 0 BCAERO [NH3+]C[C@H](CO)c1ncnc2sccc21 ZINC000063065302 351045689 /nfs/dbraw/zinc/04/56/89/351045689.db2.gz XJUOVFIMXDGARF-ZCFIWIBFSA-N 1 0 209.274 0.726 10 0 BCAERO Cn1ncc(Br)c1[C@@H]1C[C@H]1[NH3+] ZINC000306797050 351053091 /nfs/dbraw/zinc/05/30/91/351053091.db2.gz XMPQNGXASXBRBY-INEUFUBQSA-N 1 0 216.082 0.997 10 0 BCAERO C[C@H]1C[NH2+]CC[C@@H]1C(=O)Cc1csnn1 ZINC000306808569 351061051 /nfs/dbraw/zinc/06/10/51/351061051.db2.gz PLUBAWXPGWYYMK-CBAPKCEASA-N 1 0 225.317 0.895 10 0 BCAERO CC(C)[S@@](=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000306807514 351061478 /nfs/dbraw/zinc/06/14/78/351061478.db2.gz MNVBGKBRKMZMNO-ISTVAULSSA-N 1 0 218.366 0.975 10 0 BCAERO CC(C)[C@](O)(C[NH3+])c1cnc(N)s1 ZINC000159862188 351014934 /nfs/dbraw/zinc/01/49/34/351014934.db2.gz KJBIUBDEIBPIIN-MRVPVSSYSA-N 1 0 201.295 0.528 10 0 BCAERO c1cc2cc([C@H]3C[NH2+]CCN3)ccc2nn1 ZINC000616631344 351105286 /nfs/dbraw/zinc/10/52/86/351105286.db2.gz YJYZPYGBUHDLJI-GFCCVEGCSA-N 1 0 214.272 0.864 10 0 BCAERO CC(C)(C)[N@@H+]1CCN[C@@H](c2nnc[nH]2)C1 ZINC000616631788 351108822 /nfs/dbraw/zinc/10/88/22/351108822.db2.gz CSMRVJKHQALLLM-MRVPVSSYSA-N 1 0 209.297 0.550 10 0 BCAERO [NH3+]CCN1CC[NH2+]C[C@H]1c1ccc(C(=O)[O-])cc1 ZINC000616635254 351119182 /nfs/dbraw/zinc/11/91/82/351119182.db2.gz BBBCYVYCBGNSEF-LBPRGKRZSA-N 1 0 249.314 0.290 10 0 BCAERO C[C@@H](Cn1ccnc1)NC(=O)[C@@]1(C)CCC[NH2+]1 ZINC000079512268 351067926 /nfs/dbraw/zinc/06/79/26/351067926.db2.gz WPDVDBUGULFCQJ-CMPLNLGQSA-N 1 0 236.319 0.530 10 0 BCAERO C[C@]1(C(=O)N2CCN(C3CC3)CC2)CCC[NH2+]1 ZINC000079518469 351071243 /nfs/dbraw/zinc/07/12/43/351071243.db2.gz JQTYYZBJEHTULM-CYBMUJFWSA-N 1 0 237.347 0.435 10 0 BCAERO [NH3+]CCN1CCCCC[C@H]1c1cn[nH]n1 ZINC000616625478 351093846 /nfs/dbraw/zinc/09/38/46/351093846.db2.gz OGTMANDUZQLLQF-JTQLQIEISA-N 1 0 209.297 0.681 10 0 BCAERO CC(C)(C)[S@](=O)[C@@H]1C[NH2+]CC[C@]1(C)O ZINC000306820356 351094653 /nfs/dbraw/zinc/09/46/53/351094653.db2.gz IXQUYSIUSRNQSI-IPURGOFSSA-N 1 0 219.350 0.647 10 0 BCAERO c1cc2ccc([C@H]3C[NH2+]CCN3)cc2nn1 ZINC000616628517 351098521 /nfs/dbraw/zinc/09/85/21/351098521.db2.gz ABRHFDQVTYODRZ-GFCCVEGCSA-N 1 0 214.272 0.864 10 0 BCAERO OCCc1ccccc1[C@@H]1C[NH2+]CCO1 ZINC000616643159 351155309 /nfs/dbraw/zinc/15/53/09/351155309.db2.gz XATVXJWERSOJEX-LBPRGKRZSA-N 1 0 207.273 0.882 10 0 BCAERO CCOC(=O)N1CCO[C@H](c2c[nH]cn2)C1 ZINC000616643335 351156021 /nfs/dbraw/zinc/15/60/21/351156021.db2.gz HVDUXRFIAOITNA-VIFPVBQESA-N 1 0 225.248 0.940 10 0 BCAERO Nc1ccccc1[C@H]1CN(CC[NH3+])CCO1 ZINC000616646908 351164233 /nfs/dbraw/zinc/16/42/33/351164233.db2.gz PCBLPQMGPSIUGA-GFCCVEGCSA-N 1 0 221.304 0.601 10 0 BCAERO CC(C)(C)OC(=O)NCCN1CCO[C@H]([NH3+])C1 ZINC000616647211 351164773 /nfs/dbraw/zinc/16/47/73/351164773.db2.gz DMVLBUUHNAMFRQ-VIFPVBQESA-N 1 0 245.323 0.128 10 0 BCAERO [NH3+]CCN1CCCOC[C@@H]1c1ccccn1 ZINC000616647368 351164997 /nfs/dbraw/zinc/16/49/97/351164997.db2.gz ZHPZNORQWLCUEN-GFCCVEGCSA-N 1 0 221.304 0.804 10 0 BCAERO Nc1ncccc1[C@@H]1COCCCN1CC[NH3+] ZINC000616645545 351168688 /nfs/dbraw/zinc/16/86/88/351168688.db2.gz OPTIHVSBQWXFHT-NSHDSACASA-N 1 0 236.319 0.386 10 0 BCAERO [NH3+]CCN1CCCOC[C@@H]1c1ccno1 ZINC000616646146 351170550 /nfs/dbraw/zinc/17/05/50/351170550.db2.gz OLBQOHCJTSKKSQ-SECBINFHSA-N 1 0 211.265 0.397 10 0 BCAERO [NH3+]CCN1CCCOC[C@H]1c1cnoc1 ZINC000616646445 351171698 /nfs/dbraw/zinc/17/16/98/351171698.db2.gz WNZRAFNKINPTOW-JTQLQIEISA-N 1 0 211.265 0.397 10 0 BCAERO [NH3+]CCN1CCCOC[C@@H]1c1ncccn1 ZINC000616646590 351171709 /nfs/dbraw/zinc/17/17/09/351171709.db2.gz RCSNUUAERGUVMF-SNVBAGLBSA-N 1 0 222.292 0.199 10 0 BCAERO NC(=O)c1ccccc1[C@@H]1CN(CC[NH3+])CCO1 ZINC000616647864 351174788 /nfs/dbraw/zinc/17/47/88/351174788.db2.gz JKXUQSNSHLWLPA-LBPRGKRZSA-N 1 0 249.314 0.118 10 0 BCAERO CC(C)(C)[C@H]1CN(S(C)(=O)=O)CC[NH2+]1 ZINC000616653088 351187308 /nfs/dbraw/zinc/18/73/08/351187308.db2.gz HENWKWRUBBGFAF-MRVPVSSYSA-N 1 0 220.338 0.266 10 0 BCAERO CC(C)[N@@H+]1CCCO[C@@H](c2cn[nH]n2)C1 ZINC000616653919 351194679 /nfs/dbraw/zinc/19/46/79/351194679.db2.gz ZGVZJUSKLQSZRU-SNVBAGLBSA-N 1 0 210.281 0.977 10 0 BCAERO O=C([C@H]1CSCC[NH2+]1)N1CCCC1 ZINC000034731637 351189154 /nfs/dbraw/zinc/18/91/54/351189154.db2.gz MGGMDPOUORIQNY-MRVPVSSYSA-N 1 0 200.307 0.314 10 0 BCAERO CCOC(=O)N1CCNC[C@H]1c1conn1 ZINC000616636684 351127489 /nfs/dbraw/zinc/12/74/89/351127489.db2.gz GSPRFJNWARCVMR-QMMMGPOBSA-N 1 0 226.236 0.172 10 0 BCAERO NC(=O)N1CC[NH2+]C[C@@H]1c1ccccc1CO ZINC000616638054 351136116 /nfs/dbraw/zinc/13/61/16/351136116.db2.gz FZUGUPZPAGGLAP-LLVKDONJSA-N 1 0 235.287 0.204 10 0 BCAERO CC(=O)N1CC[NH2+]C[C@H]1c1ccc(CO)cc1 ZINC000616637975 351137338 /nfs/dbraw/zinc/13/73/38/351137338.db2.gz BJFYMQUDMMRRHV-ZDUSSCGKSA-N 1 0 234.299 0.672 10 0 BCAERO C[C@@H]1OCC[C@H]1[S@@](=O)C[C@@H]1CCC[NH2+]1 ZINC000306826186 351137764 /nfs/dbraw/zinc/13/77/64/351137764.db2.gz ZBASWFBPKYOZJD-RZGXBDKHSA-N 1 0 217.334 0.665 10 0 BCAERO [NH3+]CCN1CCOC[C@@H]1c1ccncc1 ZINC000616639102 351141624 /nfs/dbraw/zinc/14/16/24/351141624.db2.gz KEADGUNIWIRADJ-LLVKDONJSA-N 1 0 207.277 0.414 10 0 BCAERO COC[C@@H](NC(=O)[C@@]1(C)CCC[NH2+]1)C(C)C ZINC000083399632 351232297 /nfs/dbraw/zinc/23/22/97/351232297.db2.gz ZYLQEGXZEVDJFY-ZYHUDNBSSA-N 1 0 228.336 0.916 10 0 BCAERO CO[C@@H]1CNc2ccccc2N1CC[NH3+] ZINC000616683324 351254175 /nfs/dbraw/zinc/25/41/75/351254175.db2.gz FWXXHWQUOQMDEN-LLVKDONJSA-N 1 0 207.277 0.850 10 0 BCAERO Clc1ccc(CN2CC[NH2+]CC2)nn1 ZINC000082642080 180578752 /nfs/dbraw/zinc/57/87/52/180578752.db2.gz AVIAUDIEZBEXEY-UHFFFAOYSA-N 1 0 212.684 0.535 10 0 BCAERO OCCN1CCOCC[C@@H]1c1ccncn1 ZINC000616655524 351195586 /nfs/dbraw/zinc/19/55/86/351195586.db2.gz FTQWIPZJIAASGS-LLVKDONJSA-N 1 0 223.276 0.232 10 0 BCAERO NC(=O)N1CCN[C@@H](c2cccc(CO)c2)C1 ZINC000616654239 351195610 /nfs/dbraw/zinc/19/56/10/351195610.db2.gz OTBPNNLXSJVMMX-LLVKDONJSA-N 1 0 235.287 0.204 10 0 BCAERO Clc1ccc(CN[C@@H]2CCC[NH2+]C2)nn1 ZINC000095070483 180579673 /nfs/dbraw/zinc/57/96/73/180579673.db2.gz OJSNTNIHYNUWIG-MRVPVSSYSA-N 1 0 226.711 0.972 10 0 BCAERO NC(=O)c1cccc([C@H]2CCOCC[NH2+]2)c1 ZINC000616657351 351198176 /nfs/dbraw/zinc/19/81/76/351198176.db2.gz AVTOQDNFEULTFX-LLVKDONJSA-N 1 0 220.272 0.837 10 0 BCAERO Nc1ncccc1[C@H]1COCC[N@H+](CCO)C1 ZINC000616657959 351200059 /nfs/dbraw/zinc/20/00/59/351200059.db2.gz AAAITDOLUUMSFL-SNVBAGLBSA-N 1 0 237.303 0.072 10 0 BCAERO [NH3+]CCN1CCOCC[C@H]1c1ccon1 ZINC000616656123 351201679 /nfs/dbraw/zinc/20/16/79/351201679.db2.gz KCQCFXIYXHWZPW-JTQLQIEISA-N 1 0 211.265 0.397 10 0 BCAERO CC[S@](C)(=O)=NC(=O)[C@H]1CCC[NH2+]C1 ZINC000306859661 351204216 /nfs/dbraw/zinc/20/42/16/351204216.db2.gz BWLMHQSPJBVUEL-RTHLEPHNSA-N 1 0 218.322 0.630 10 0 BCAERO CCOC(=O)[C@H]1COCC[N@H+](CC)C1 ZINC000616658417 351204257 /nfs/dbraw/zinc/20/42/57/351204257.db2.gz DYTUZXOMIJHTSS-SECBINFHSA-N 1 0 201.266 0.518 10 0 BCAERO CC(C)(C)OC(=O)NC[C@@H]1CCOCC[NH2+]1 ZINC000616659566 351207959 /nfs/dbraw/zinc/20/79/59/351207959.db2.gz PCTVAFMVOKGBHI-VIFPVBQESA-N 1 0 230.308 0.890 10 0 BCAERO NC(=O)c1ccccc1[C@H]1C[NH2+]CCOC1 ZINC000616659831 351208107 /nfs/dbraw/zinc/20/81/07/351208107.db2.gz IYTLHUWFPCRNTF-VIFPVBQESA-N 1 0 220.272 0.489 10 0 BCAERO NC(=O)c1ccc([C@H]2CCOCC[NH2+]2)cc1 ZINC000616659888 351208996 /nfs/dbraw/zinc/20/89/96/351208996.db2.gz ROLAOZXXXLGBRR-LLVKDONJSA-N 1 0 220.272 0.837 10 0 BCAERO CC(C)[N@@H+]1CCOC[C@@H](c2nnc[nH]2)C1 ZINC000616660625 351212128 /nfs/dbraw/zinc/21/21/28/351212128.db2.gz MSEHZNBMRUFBNX-VIFPVBQESA-N 1 0 210.281 0.629 10 0 BCAERO CC(=O)N[C@H]1COCC[N@@H+](C(C)(C)C)C1 ZINC000616660560 351212353 /nfs/dbraw/zinc/21/23/53/351212353.db2.gz NRSKGDOHYQSRHZ-SNVBAGLBSA-N 1 0 214.309 0.622 10 0 BCAERO CC(C)(C)OC(=O)N1CCO[C@@H](C[NH3+])CC1 ZINC000616662904 351214224 /nfs/dbraw/zinc/21/42/24/351214224.db2.gz LJEGMXJVNPAXDZ-SECBINFHSA-N 1 0 230.308 0.971 10 0 BCAERO Nc1ncccc1[C@H]1COCCN(CC[NH3+])C1 ZINC000616663603 351215941 /nfs/dbraw/zinc/21/59/41/351215941.db2.gz LCYYKLVVTCFJLF-SNVBAGLBSA-N 1 0 236.319 0.038 10 0 BCAERO OCCc1ccccc1[C@@H]1C[NH2+]CCOC1 ZINC000616663461 351216161 /nfs/dbraw/zinc/21/61/61/351216161.db2.gz PTOGHBBRCVIZMV-GFCCVEGCSA-N 1 0 221.300 0.925 10 0 BCAERO NC(=O)c1cccc([C@H]2CC[NH2+]CCO2)c1 ZINC000616663775 351216902 /nfs/dbraw/zinc/21/69/02/351216902.db2.gz NRFGPRSCYLTYPP-LLVKDONJSA-N 1 0 220.272 0.837 10 0 BCAERO [NH3+]CCN1CCO[C@@H](c2ccncn2)CC1 ZINC000616666214 351225645 /nfs/dbraw/zinc/22/56/45/351225645.db2.gz LADXTCFZKAAUDS-LLVKDONJSA-N 1 0 222.292 0.199 10 0 BCAERO [NH3+]CCN1CCO[C@@H](c2ncccn2)CC1 ZINC000616666522 351226892 /nfs/dbraw/zinc/22/68/92/351226892.db2.gz WRKAKMWIVQSEJD-SNVBAGLBSA-N 1 0 222.292 0.199 10 0 BCAERO CS(=O)(=O)N[C@@H]1CCCCC[C@H]1[NH3+] ZINC000063213930 351280811 /nfs/dbraw/zinc/28/08/11/351280811.db2.gz KPENKMDGTUDMQX-HTQZYQBOSA-N 1 0 206.311 0.196 10 0 BCAERO FC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000306886536 351293456 /nfs/dbraw/zinc/29/34/56/351293456.db2.gz PNFFRHJCUNYGJY-LURJTMIESA-N 1 0 200.179 0.792 10 0 BCAERO C[C@@H]1C[C@H]1C(=O)N1CCSC[C@H]1C[NH3+] ZINC000306891178 351304439 /nfs/dbraw/zinc/30/44/39/351304439.db2.gz ZZRFMTBZLKJRJZ-IWSPIJDZSA-N 1 0 214.334 0.545 10 0 BCAERO CCOC(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000313345261 351335860 /nfs/dbraw/zinc/33/58/60/351335860.db2.gz FGXJDRIJUBTUPZ-QMMMGPOBSA-N 1 0 202.254 0.193 10 0 BCAERO C[C@H]1CN(C(=O)C(F)(F)F)C[C@]1(C)C[NH3+] ZINC000306914484 351327415 /nfs/dbraw/zinc/32/74/15/351327415.db2.gz RQDDEOXEGWAMAV-XPUUQOCRSA-N 1 0 224.226 0.992 10 0 BCAERO C[C@H]1CN(C(=O)C(F)(F)F)C[C@@]1(C)C[NH3+] ZINC000306914482 351327546 /nfs/dbraw/zinc/32/75/46/351327546.db2.gz RQDDEOXEGWAMAV-POYBYMJQSA-N 1 0 224.226 0.992 10 0 BCAERO CSC(C)(C)[C@H]([NH3+])c1ncnn1C ZINC000306920093 351329216 /nfs/dbraw/zinc/32/92/16/351329216.db2.gz LNYZNICNJZXDQD-ZCFIWIBFSA-N 1 0 200.311 0.957 10 0 BCAERO [NH3+][C@@H]1CCC[C@H]1NC(=O)c1cnns1 ZINC000063172421 351268763 /nfs/dbraw/zinc/26/87/63/351268763.db2.gz OCLRDTRBRHYPHS-PHDIDXHHSA-N 1 0 212.278 0.148 10 0 BCAERO C[C@H]([NH3+])CCNc1ncnc2c1cnn2C ZINC000063171652 351268881 /nfs/dbraw/zinc/26/88/81/351268881.db2.gz NBGZDLUSAYGAHK-ZETCQYMHSA-N 1 0 220.280 0.513 10 0 BCAERO CO[C@@H]1C[C@@H](CO)[N@@H+]([C@H]2CCCC2=O)C1 ZINC000306965148 351385437 /nfs/dbraw/zinc/38/54/37/351385437.db2.gz JZVQRBAODCCORE-AEJSXWLSSA-N 1 0 213.277 0.190 10 0 BCAERO C[C@@H]1C[NH2+]CC[C@H]1CN=S(C)(C)=O ZINC000306964495 351385565 /nfs/dbraw/zinc/38/55/65/351385565.db2.gz JDDMRVBQYGDBGF-BDAKNGLRSA-N 1 0 204.339 0.960 10 0 BCAERO CONC(=S)NC1CC[NH+](C)CC1 ZINC000306928624 351345197 /nfs/dbraw/zinc/34/51/97/351345197.db2.gz YRTXJLYDYSKULQ-UHFFFAOYSA-N 1 0 203.311 0.106 10 0 BCAERO NC(=[NH2+])N[C@H](CO)c1ccc(Cl)cc1 ZINC000306940653 351363039 /nfs/dbraw/zinc/36/30/39/351363039.db2.gz PPIBFKCRBDQLSD-MRVPVSSYSA-N 1 0 213.668 0.856 10 0 BCAERO C[NH2+][C@H]1CCOC2(C1)COCCOC2 ZINC000307066212 351462462 /nfs/dbraw/zinc/46/24/62/351462462.db2.gz SWZYJQSBBWXVJC-VIFPVBQESA-N 1 0 201.266 0.170 10 0 BCAERO C[C@H]1C[C@H]([NH3+])CN(Cc2csnn2)C1 ZINC000306996725 351411662 /nfs/dbraw/zinc/41/16/62/351411662.db2.gz TWXLPYCCSGQIGI-YUMQZZPRSA-N 1 0 212.322 0.707 10 0 BCAERO Cc1cnc([C@@H]2OC[C@H](C[NH3+])O2)s1 ZINC000307015580 351421438 /nfs/dbraw/zinc/42/14/38/351421438.db2.gz UJBVVVFDEKLVCF-POYBYMJQSA-N 1 0 200.263 0.824 10 0 BCAERO Cc1cnc([C@H]2OC[C@@H](C[NH3+])O2)s1 ZINC000307015592 351421567 /nfs/dbraw/zinc/42/15/67/351421567.db2.gz UJBVVVFDEKLVCF-SVRRBLITSA-N 1 0 200.263 0.824 10 0 BCAERO CC(C)([NH2+][C@@H]1CCC[C@@]1(C)O)C(N)=O ZINC000307019608 351423791 /nfs/dbraw/zinc/42/37/91/351423791.db2.gz YPFNFIULMBNEOC-GMSGAONNSA-N 1 0 200.282 0.143 10 0 BCAERO C[S@](=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000307129972 351492748 /nfs/dbraw/zinc/49/27/48/351492748.db2.gz KFPYWASJIMSGMQ-RULNRJAQSA-N 1 0 216.350 0.886 10 0 BCAERO C[C@@H]1CSC[C@H]1[NH2+]Cc1n[nH]c(=O)s1 ZINC000307145882 351498926 /nfs/dbraw/zinc/49/89/26/351498926.db2.gz MTUSPUNAPKRZIT-PHDIDXHHSA-N 1 0 231.346 0.673 10 0 BCAERO C[S@](=O)N1CC[NH2+][C@@H]2CCCC[C@H]21 ZINC000307141687 351500126 /nfs/dbraw/zinc/50/01/26/351500126.db2.gz DIWMHDYDKLRMMI-KKFJDGPESA-N 1 0 202.323 0.496 10 0 BCAERO CC1(C)C[NH2+][C@H]1C[N-]C(=O)C(F)(F)F ZINC000307153233 351506182 /nfs/dbraw/zinc/50/61/82/351506182.db2.gz ZUMRUZFQIYOJOQ-YFKPBYRVSA-N 1 0 210.199 0.663 10 0 BCAERO COC[C@H]([NH3+])C(=O)N[C@@H](C)c1nc(C)cs1 ZINC000088004572 351510574 /nfs/dbraw/zinc/51/05/74/351510574.db2.gz USGQHVCSIVOWPE-YUMQZZPRSA-N 1 0 243.332 0.602 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N1CCCC(C)(C)CC1 ZINC000088004736 351510726 /nfs/dbraw/zinc/51/07/26/351510726.db2.gz IPZRTRSWRVPEIW-SNVBAGLBSA-N 1 0 228.336 0.999 10 0 BCAERO COC[C@H]([NH3+])C(=O)N1CCC[C@@H]2CCC[C@@H]21 ZINC000088004744 351510968 /nfs/dbraw/zinc/51/09/68/351510968.db2.gz JWGFLMMWSSXEHP-DCAQKATOSA-N 1 0 226.320 0.751 10 0 BCAERO CC[C@@H](NC(=O)[C@@H]([NH3+])COC)c1nccs1 ZINC000088004564 351510990 /nfs/dbraw/zinc/51/09/90/351510990.db2.gz PQGKPYJEGZBDFM-JGVFFNPUSA-N 1 0 243.332 0.684 10 0 BCAERO C[C@]1(C(=O)N[C@H]2C[C@H]2[NH3+])CC1(Cl)Cl ZINC000307081320 351469781 /nfs/dbraw/zinc/46/97/81/351469781.db2.gz JADMXIOIJBZGCJ-JCGDXUMPSA-N 1 0 223.103 0.786 10 0 BCAERO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)C(F)(F)F ZINC000133670942 351469822 /nfs/dbraw/zinc/46/98/22/351469822.db2.gz YIQYSFQFXXENRM-PHDIDXHHSA-N 1 0 210.199 0.887 10 0 BCAERO COC[C@@H]([NH3+])C(=O)Nc1ccc(OC)cc1 ZINC000088002090 351474347 /nfs/dbraw/zinc/47/43/47/351474347.db2.gz NBXNGDHMNMEESE-SNVBAGLBSA-N 1 0 224.260 0.607 10 0 BCAERO C[C@H]1C[C@H](NC(=O)C(C)(C)[NH3+])CS1 ZINC000307097993 351477911 /nfs/dbraw/zinc/47/79/11/351477911.db2.gz VPGFUHXWPQGVGQ-BQBZGAKWSA-N 1 0 202.323 0.734 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1c1c(Br)nnn1C ZINC000307099840 351478914 /nfs/dbraw/zinc/47/89/14/351478914.db2.gz XINXPGVMSXVFFK-PHDIDXHHSA-N 1 0 245.124 0.901 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N1CCc2ccccc21 ZINC000088002390 351482345 /nfs/dbraw/zinc/48/23/45/351482345.db2.gz JJJHJCCUJXTXLD-SNVBAGLBSA-N 1 0 220.272 0.549 10 0 BCAERO COC[C@@H]([NH3+])C(=O)Nc1cccc(OC)c1 ZINC000088002429 351483503 /nfs/dbraw/zinc/48/35/03/351483503.db2.gz UGSQDLPWIZVFFM-SNVBAGLBSA-N 1 0 224.260 0.607 10 0 BCAERO COC[C@@H]([NH3+])C(=O)Nc1cc(F)cc(F)c1 ZINC000088002416 351483770 /nfs/dbraw/zinc/48/37/70/351483770.db2.gz HSJUNGKFSJBFGO-SECBINFHSA-N 1 0 230.214 0.877 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N(C)Cc1ccccn1 ZINC000088002904 351488383 /nfs/dbraw/zinc/48/83/83/351488383.db2.gz QGQHKJXOKYABQG-SNVBAGLBSA-N 1 0 223.276 0.014 10 0 BCAERO CC[C@]1([C@@H]2CCOC2)C[NH2+]C[C@H]1C(N)=O ZINC000307168900 351543930 /nfs/dbraw/zinc/54/39/30/351543930.db2.gz WHSKWHIHWLVHKJ-WCABBAIRSA-N 1 0 212.293 0.124 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@@H]1CCO[C@@H](C)C1 ZINC000226702961 259419825 /nfs/dbraw/zinc/41/98/25/259419825.db2.gz ZBDNDBOEDQSGBH-LMLFDSFASA-N 1 0 226.320 0.526 10 0 BCAERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1nncn1C ZINC000177714834 366024117 /nfs/dbraw/zinc/02/41/17/366024117.db2.gz NMZZQRWRZMBJTM-NSHDSACASA-N 1 0 237.351 0.731 10 0 BCAERO CC[C@H](C[NH3+])N1CC[C@@H](O)C(C)(C)C1 ZINC000307187888 351589767 /nfs/dbraw/zinc/58/97/67/351589767.db2.gz WPJVXHJEEGHOET-NXEZZACHSA-N 1 0 200.326 0.817 10 0 BCAERO CNC(=S)N1CC[N@H+](C)C[C@H](C)C1 ZINC000307196814 351596536 /nfs/dbraw/zinc/59/65/36/351596536.db2.gz UMLXVLYLNNDEBF-QMMMGPOBSA-N 1 0 201.339 0.374 10 0 BCAERO CNC(=S)N1CC[N@H+](C)C[C@@H](C)C1 ZINC000307196813 351596680 /nfs/dbraw/zinc/59/66/80/351596680.db2.gz UMLXVLYLNNDEBF-MRVPVSSYSA-N 1 0 201.339 0.374 10 0 BCAERO C/C(=C\Cl)CN1CC[NH2+]C[C@H](O)C1 ZINC000307197723 351599757 /nfs/dbraw/zinc/59/97/57/351599757.db2.gz SELKYXXDOSXQRG-SGDMMICCSA-N 1 0 204.701 0.395 10 0 BCAERO O=C(N1CC[C@@H]2[NH2+]CC[C@@H]2C1)C(F)(F)F ZINC000307216768 351617157 /nfs/dbraw/zinc/61/71/57/351617157.db2.gz MADBYTMUDFDZBO-RQJHMYQMSA-N 1 0 222.210 0.759 10 0 BCAERO Cn1c(N)nnc1SC[C@@H]1CCC[NH2+]1 ZINC000043497605 180621184 /nfs/dbraw/zinc/62/11/84/180621184.db2.gz IZUNHLSURAZWHF-LURJTMIESA-N 1 0 213.310 0.241 10 0 BCAERO C[NH2+][C@@]1(CN=S(C)(C)=O)CCOC1 ZINC000307237728 351726644 /nfs/dbraw/zinc/72/66/44/351726644.db2.gz FHBNDNDLNLHVKX-MRVPVSSYSA-N 1 0 206.311 0.093 10 0 BCAERO C[C@H](CO)CN1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000252727558 538101080 /nfs/dbraw/zinc/10/10/80/538101080.db2.gz ISEGXLLSGBALLO-TUAOUCFPSA-N 1 0 212.337 0.783 10 0 BCAERO CC(C)[C@@H](C)NC(=O)[C@]1(C[NH3+])CCCOC1 ZINC000637877361 351742450 /nfs/dbraw/zinc/74/24/50/351742450.db2.gz QLSLKCJEGIJXHK-PWSUYJOCSA-N 1 0 228.336 0.903 10 0 BCAERO CC[C@]1(C(=O)c2nncn2C)CCC[NH2+]1 ZINC000307254606 351789454 /nfs/dbraw/zinc/78/94/54/351789454.db2.gz YCULUKSKHIVCPX-SNVBAGLBSA-N 1 0 208.265 0.530 10 0 BCAERO CC(C)(C)[S@](=N)(=O)N1CCNCC1 ZINC000404661922 351791631 /nfs/dbraw/zinc/79/16/31/351791631.db2.gz XUNVZEHJAKGTSA-CYBMUJFWSA-N 1 0 205.327 0.652 10 0 BCAERO CO[C@@H]1C[NH2+][C@](C)(C(=O)N[C@H](C)C2CC2)C1 ZINC000637893889 351765470 /nfs/dbraw/zinc/76/54/70/351765470.db2.gz WTECVXZSCAXPNV-QRTLGDNMSA-N 1 0 226.320 0.668 10 0 BCAERO [NH3+][C@@H]1CC=C(C(=O)NCC[C@H]2CCCO2)C1 ZINC000637901109 351770388 /nfs/dbraw/zinc/77/03/88/351770388.db2.gz ACCDNEMJAVERCR-GHMZBOCLSA-N 1 0 224.304 0.719 10 0 BCAERO C[C@H](C(N)=S)[N@@H+]1CCC[C@@H](O)[C@H]1C ZINC000307252105 351773081 /nfs/dbraw/zinc/77/30/81/351773081.db2.gz RLYDBASGDRRRGK-BWZBUEFSSA-N 1 0 202.323 0.506 10 0 BCAERO C[C@@H]1C[NH2+]CCN1[C@H]1CCO[C@]12CCOC2 ZINC000725268797 538101305 /nfs/dbraw/zinc/10/13/05/538101305.db2.gz AVBHFEWUZSDYHD-WOPDTQHZSA-N 1 0 226.320 0.228 10 0 BCAERO CC1(C)OC[C@@H]([C@@H](O)C[NH2+]CC2CC2)O1 ZINC000725269304 538101346 /nfs/dbraw/zinc/10/13/46/538101346.db2.gz PJJWTUIDEGWQQS-UWVGGRQHSA-N 1 0 215.293 0.498 10 0 BCAERO OCC1CC[NH+]([C@H]2CCO[C@@]23CCOC3)CC1 ZINC000725268814 538101377 /nfs/dbraw/zinc/10/13/77/538101377.db2.gz BYSLXRSFOAOQNK-QWHCGFSZSA-N 1 0 241.331 0.639 10 0 BCAERO C[C@@H]1C[C@H](NC(=O)CC2([NH3+])CC2)CS1 ZINC000307262596 351809658 /nfs/dbraw/zinc/80/96/58/351809658.db2.gz SUCNMVIVCYCMSZ-SFYZADRCSA-N 1 0 214.334 0.878 10 0 BCAERO CCOC(=O)C1CC[NH+]([C@H]2[C@@H]3COC[C@@H]32)CC1 ZINC000725269217 538101385 /nfs/dbraw/zinc/10/13/85/538101385.db2.gz GPKBDURMUKIDFX-GDNZZTSVSA-N 1 0 239.315 0.906 10 0 BCAERO CNC(=O)CSc1cc[nH+]c(NN)c1 ZINC000300879482 363092806 /nfs/dbraw/zinc/09/28/06/363092806.db2.gz YXTQTUXOLQDBCR-UHFFFAOYSA-N 1 0 212.278 0.205 10 0 BCAERO [NH3+][C@@H]1CC=C(C(=O)NC[C@H]2CCC[C@H]2O)C1 ZINC000637966398 351840182 /nfs/dbraw/zinc/84/01/82/351840182.db2.gz ZSPRAOVXWHWPIT-GMTAPVOTSA-N 1 0 224.304 0.311 10 0 BCAERO [NH3+][C@@H](CC1OCCO1)c1ccsn1 ZINC000307284764 351849177 /nfs/dbraw/zinc/84/91/77/351849177.db2.gz NNNLAICEBJPRFF-LURJTMIESA-N 1 0 200.263 0.906 10 0 BCAERO CC(C)CC[C@@H]([NH3+])C(=O)NCC1(C)COC1 ZINC000637992794 351870270 /nfs/dbraw/zinc/87/02/70/351870270.db2.gz LZOCKYSFKNDGEI-SNVBAGLBSA-N 1 0 228.336 0.903 10 0 BCAERO CC1(C)CC[C@H](SCC(N)=O)[C@@H]1[NH3+] ZINC000300881159 363098411 /nfs/dbraw/zinc/09/84/11/363098411.db2.gz ZJERLAWTRXMDRD-XPUUQOCRSA-N 1 0 202.323 0.721 10 0 BCAERO C[C@@H]([NH3+])[C@@H]1CN(C2CSC2)CCO1 ZINC000307306589 351933426 /nfs/dbraw/zinc/93/34/26/351933426.db2.gz TZYFGVJZTPHKQT-APPZFPTMSA-N 1 0 202.323 0.150 10 0 BCAERO Cn1c(Cl)cnc1[C@@H](O)C1C[NH2+]C1 ZINC000307296597 351906940 /nfs/dbraw/zinc/90/69/40/351906940.db2.gz RQBJMKMWXRBABV-ZETCQYMHSA-N 1 0 201.657 0.326 10 0 BCAERO CO[C@@H]1COCC[C@]12[NH2+]CCCS2 ZINC000307295504 351907091 /nfs/dbraw/zinc/90/70/91/351907091.db2.gz HMPACCSKGXPAFK-RKDXNWHRSA-N 1 0 203.307 0.845 10 0 BCAERO Cn1cc(NC2CC[NH2+]CC2)ccc1=O ZINC000038041561 180660524 /nfs/dbraw/zinc/66/05/24/180660524.db2.gz OCNHPWCVTXWIDM-UHFFFAOYSA-N 1 0 207.277 0.549 10 0 BCAERO [NH3+]C1(c2nc[nH]c(=O)c2Br)CC1 ZINC000307310850 351986852 /nfs/dbraw/zinc/98/68/52/351986852.db2.gz YYUHVIFPINNQKP-UHFFFAOYSA-N 1 0 230.065 0.893 10 0 BCAERO C[C@@H]1C[C@H](C(=O)NC[C@@H]2CC[NH2+]C2)[C@H](C)O1 ZINC000638164428 352032283 /nfs/dbraw/zinc/03/22/83/352032283.db2.gz HUIXDCRNJRFTIB-YTWAJWBKSA-N 1 0 226.320 0.526 10 0 BCAERO Cn1ccc(=O)n(CCC[NH2+]C(C)(C)C)c1=O ZINC000104302557 180682824 /nfs/dbraw/zinc/68/28/24/180682824.db2.gz VELVKDMBTPQZLC-UHFFFAOYSA-N 1 0 239.319 0.325 10 0 BCAERO C[C@H]1OCC[C@H]1C(=O)NCC(C)(C)[NH3+] ZINC000168379578 352084852 /nfs/dbraw/zinc/08/48/52/352084852.db2.gz YOOVVVSPWXUJIY-HTQZYQBOSA-N 1 0 200.282 0.265 10 0 BCAERO COC(=O)CC[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000405201301 352115592 /nfs/dbraw/zinc/11/55/92/352115592.db2.gz CVOFPCWRBQFJSD-HTQZYQBOSA-N 1 0 200.282 0.265 10 0 BCAERO CC1(C)[C@H](C[NH3+])C12CCS(=O)(=O)CC2 ZINC000300905975 363115889 /nfs/dbraw/zinc/11/58/89/363115889.db2.gz CRAUVOLWBGZZBN-QMMMGPOBSA-N 1 0 217.334 0.796 10 0 BCAERO [NH3+]C[C@H](NC(=O)c1cccnn1)C(F)(F)F ZINC000638398709 352206001 /nfs/dbraw/zinc/20/60/01/352206001.db2.gz SAVJJIMAVCQESW-LURJTMIESA-N 1 0 234.181 0.096 10 0 BCAERO C[C@@H]1CC[N@H+](C[C@@](C)(N)C(N)=O)[C@H](C)C1 ZINC000252116722 363124595 /nfs/dbraw/zinc/12/45/95/363124595.db2.gz IRIPNHCVHGZTNM-FXPVBKGRSA-N 1 0 213.325 0.310 10 0 BCAERO CC(C)c1nsc(N2CCO[C@H](C[NH3+])C2)n1 ZINC000083651192 352221865 /nfs/dbraw/zinc/22/18/65/352221865.db2.gz XNJGWHXVHOTTGU-MRVPVSSYSA-N 1 0 242.348 0.825 10 0 BCAERO C[NH2+][C@H](C)C(=O)N1CCC(CCOC)CC1 ZINC000638467694 352279894 /nfs/dbraw/zinc/27/98/94/352279894.db2.gz NUYISFCWDMQLFE-SNVBAGLBSA-N 1 0 228.336 0.869 10 0 BCAERO C[C@H](CO)[NH2+][C@@H]1CCC[C@@]23C[C@@H](CO2)[C@H]13 ZINC000725270713 538102871 /nfs/dbraw/zinc/10/28/71/538102871.db2.gz CXZRGBKULWAHSA-ROHXPCBUSA-N 1 0 211.305 0.914 10 0 BCAERO C[S@](=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000307355502 352322880 /nfs/dbraw/zinc/32/28/80/352322880.db2.gz UITPYQXXFGWWIE-RWEMILLDSA-N 1 0 202.323 0.211 10 0 BCAERO Cn1ccc(NC(=O)[C@H]([NH3+])C(C)(C)C)n1 ZINC000077488249 180711405 /nfs/dbraw/zinc/71/14/05/180711405.db2.gz ORFXBCIPHFNFLV-QMMMGPOBSA-N 1 0 210.281 0.732 10 0 BCAERO Cn1ccc(S(=O)(=O)N2CCC[NH2+]CC2)c1 ZINC000036926628 180712971 /nfs/dbraw/zinc/71/29/71/180712971.db2.gz UMCXTUWSLRCDSC-UHFFFAOYSA-N 1 0 243.332 0.009 10 0 BCAERO Cn1cccc1C[NH2+][C@@H]1CCCNC1=O ZINC000050596352 180731653 /nfs/dbraw/zinc/73/16/53/180731653.db2.gz JDUKXUUMWNCFII-SNVBAGLBSA-N 1 0 207.277 0.393 10 0 BCAERO CC1CC(C(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC000638618361 352458141 /nfs/dbraw/zinc/45/81/41/352458141.db2.gz HDERHZNOJSSPKM-RTBKNWGFSA-N 1 0 212.293 0.137 10 0 BCAERO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NC(=O)[C@H]1CC[NH2+]C1 ZINC000638630167 352468911 /nfs/dbraw/zinc/46/89/11/352468911.db2.gz QQXYNBAFRQCWFR-QUARPLMYSA-N 1 0 226.320 0.524 10 0 BCAERO C[C@@H]1CCCC[N@@H+]1CC[C@@H]([NH3+])C(=O)[O-] ZINC000218552159 538103896 /nfs/dbraw/zinc/10/38/96/538103896.db2.gz AMTIHCGBZSVRAT-RKDXNWHRSA-N 1 0 200.282 0.663 10 0 BCAERO CC(C)[C@H]([NH3+])C(=O)N[C@@H]1[C@H](C)O[C@@H](C)[C@H]1C ZINC000638631072 352473688 /nfs/dbraw/zinc/47/36/88/352473688.db2.gz UQJCMYLPTJBFHA-NMUGVGKYSA-N 1 0 228.336 0.898 10 0 BCAERO CC1CC(C(=O)NC2(C[NH3+])CCOCC2)C1 ZINC000638634719 352476289 /nfs/dbraw/zinc/47/62/89/352476289.db2.gz JSZYTMPHDZOWJY-UHFFFAOYSA-N 1 0 226.320 0.657 10 0 BCAERO CCCC(=O)N1CCC[NH2+]CCOCC1 ZINC000725271814 538103617 /nfs/dbraw/zinc/10/36/17/538103617.db2.gz UBMGCODDRCCMPJ-UHFFFAOYSA-N 1 0 214.309 0.625 10 0 BCAERO C[C@H]1CC[C@@H](NC(=O)[C@H]2CCCO2)C[NH2+]1 ZINC000638642884 352485462 /nfs/dbraw/zinc/48/54/62/352485462.db2.gz KIIUIHQDILFZCJ-IVZWLZJFSA-N 1 0 212.293 0.422 10 0 BCAERO CO[C@]1(C[NH2+]C[C@@H]2CCC[C@@H]2O)CCOC1 ZINC000638709889 352544686 /nfs/dbraw/zinc/54/46/86/352544686.db2.gz DSLVJMAFUYHYKF-SRVKXCTJSA-N 1 0 229.320 0.543 10 0 BCAERO CCCCS(=O)(=O)N1CC(F)(C[NH3+])C1 ZINC000725272480 538104170 /nfs/dbraw/zinc/10/41/70/538104170.db2.gz GTKQVMFKMLIVCL-UHFFFAOYSA-N 1 0 224.301 0.099 10 0 BCAERO [NH3+][C@@H]1CC[C@H](C(=O)N[C@@H]2CO[C@H](C3CC3)C2)C1 ZINC000638694504 352531148 /nfs/dbraw/zinc/53/11/48/352531148.db2.gz FSSBMWGIRAUUAI-USZNOCQGSA-N 1 0 238.331 0.798 10 0 BCAERO O=C(NC1(C(F)F)CC1)[C@@H]1C[NH2+]CCOC1 ZINC000638726812 352585835 /nfs/dbraw/zinc/58/58/35/352585835.db2.gz VOTUTNUXNOTFRJ-SSDOTTSWSA-N 1 0 234.246 0.136 10 0 BCAERO CC[C@@H]1[C@@H]2C[NH2+]C[C@@H]2CN1[S@](C)=O ZINC000307432651 352595112 /nfs/dbraw/zinc/59/51/12/352595112.db2.gz ZPOSIQQKYYNLAA-LHGDZMGGSA-N 1 0 202.323 0.210 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N[C@@H](C(=O)OC)C(C)C ZINC000040437975 352597251 /nfs/dbraw/zinc/59/72/51/352597251.db2.gz ZNYVKKPCYXAZNY-DTWKUNHWSA-N 1 0 230.308 0.428 10 0 BCAERO C[C@@H]([NH3+])C(=O)N[C@@H]1CCC[C@@H](CO)C1 ZINC000307446946 352602038 /nfs/dbraw/zinc/60/20/38/352602038.db2.gz IAFKIZCPLOGNKZ-IWSPIJDZSA-N 1 0 200.282 0.001 10 0 BCAERO CCCC(=O)N1CC[NH2+]C[C@H]1COC ZINC000725272668 538104503 /nfs/dbraw/zinc/10/45/03/538104503.db2.gz JGIIVHCEISGVAV-VIFPVBQESA-N 1 0 200.282 0.233 10 0 BCAERO C[N@H+](CC[C@H](O)CO)Cc1ccccc1 ZINC000307450916 352607555 /nfs/dbraw/zinc/60/75/55/352607555.db2.gz QUAHJTKITARQPL-LBPRGKRZSA-N 1 0 209.289 0.862 10 0 BCAERO C[C@H](C(N)=S)[N@@H+]1C[C@H](O)CC[C@H]1C ZINC000307453880 352609130 /nfs/dbraw/zinc/60/91/30/352609130.db2.gz VIECWEAVTSIYSE-BWZBUEFSSA-N 1 0 202.323 0.506 10 0 BCAERO [NH3+]C[C@]1(c2ncncc2Cl)CCOC1 ZINC000307461025 352611189 /nfs/dbraw/zinc/61/11/89/352611189.db2.gz FJZMCFQQUZUIRU-SECBINFHSA-N 1 0 213.668 0.747 10 0 BCAERO CC(C)[C@H](C)NC(=O)N[C@@H](C)C1C[NH2+]C1 ZINC000725273177 538104527 /nfs/dbraw/zinc/10/45/27/538104527.db2.gz ZSDXBRCUQONINN-IUCAKERBSA-N 1 0 213.325 0.938 10 0 BCAERO C[C@@H]1C[C@@H]([NH2+][C@H]2CNC(=O)C2)CS1 ZINC000300395424 352562240 /nfs/dbraw/zinc/56/22/40/352562240.db2.gz ZEHXANGOEHLXQF-BWZBUEFSSA-N 1 0 200.307 0.359 10 0 BCAERO CC(C)(C)OC(=O)N1CCO[C@H]2CC[NH2+]C[C@H]21 ZINC000214944665 352564451 /nfs/dbraw/zinc/56/44/51/352564451.db2.gz OAJIQHJOQXQMMQ-ZJUUUORDSA-N 1 0 242.319 0.984 10 0 BCAERO CC(C)(F)C(=O)NC[C@]1(C)CCC[NH2+]1 ZINC000307394696 352568895 /nfs/dbraw/zinc/56/88/95/352568895.db2.gz FCVZWIWUNXXKEL-JTQLQIEISA-N 1 0 202.273 0.993 10 0 BCAERO Cn1ncc(CC(=O)[C@@H]2CCC[C@@H]2[NH3+])n1 ZINC000307399338 352571415 /nfs/dbraw/zinc/57/14/15/352571415.db2.gz WFEHYFFBVKZRGN-BDAKNGLRSA-N 1 0 208.265 0.054 10 0 BCAERO CC[C@@H]1C[C@H]1NC(=O)[C@@H]1C[NH2+]CCOC1 ZINC000638723348 352576898 /nfs/dbraw/zinc/57/68/98/352576898.db2.gz IWLBNZAZYGZDGZ-OPRDCNLKSA-N 1 0 212.293 0.137 10 0 BCAERO CC1(C)[C@@H]([NH3+])[C@@]12CCCS(=O)(=O)C2 ZINC000301038345 352585211 /nfs/dbraw/zinc/58/52/11/352585211.db2.gz YAPKDJFNTHTPCN-APPZFPTMSA-N 1 0 203.307 0.549 10 0 BCAERO COC1CN([C@@]2(C[NH3+])CS[C@H](C)C2)C1 ZINC000307533027 352639065 /nfs/dbraw/zinc/63/90/65/352639065.db2.gz HKUBGJIGODLMTE-SCZZXKLOSA-N 1 0 216.350 0.540 10 0 BCAERO C[C@H]1CCSC(NC2CS(=O)(=O)C2)=[NH+]1 ZINC000307534584 352639814 /nfs/dbraw/zinc/63/98/14/352639814.db2.gz NYBGMQBPRFKVRR-LURJTMIESA-N 1 0 234.346 0.254 10 0 BCAERO C[C@@H]1CCSC(NC2CS(=O)(=O)C2)=[NH+]1 ZINC000307534589 352639857 /nfs/dbraw/zinc/63/98/57/352639857.db2.gz NYBGMQBPRFKVRR-ZCFIWIBFSA-N 1 0 234.346 0.254 10 0 BCAERO NC(=O)C[N@@H+]1CCS[C@@H]2CCC[C@H]21 ZINC000307539396 352643441 /nfs/dbraw/zinc/64/34/41/352643441.db2.gz QEKPWPHUOSZQNJ-HTQZYQBOSA-N 1 0 200.307 0.442 10 0 BCAERO C[C@H](C(N)=S)[N@@H+]1C[C@H](O)C(C)(C)C1 ZINC000307549926 352647452 /nfs/dbraw/zinc/64/74/52/352647452.db2.gz QPDMKANLSZTRNU-RQJHMYQMSA-N 1 0 202.323 0.364 10 0 BCAERO Cn1ncc(Cl)c1[C@H](O)C(C)(C)[NH3+] ZINC000307550612 352648236 /nfs/dbraw/zinc/64/82/36/352648236.db2.gz RHHVCUVLKGUYLA-ZETCQYMHSA-N 1 0 203.673 0.844 10 0 BCAERO CN(C)Nc1cc(Br)nc(N)[nH+]1 ZINC000307558329 352649349 /nfs/dbraw/zinc/64/93/49/352649349.db2.gz DJAVGXVONPHNOM-UHFFFAOYSA-N 1 0 232.085 0.710 10 0 BCAERO CCn1ncnc1C(=O)[C@@]1(C)CC[NH2+]C1 ZINC000307559866 352649540 /nfs/dbraw/zinc/64/95/40/352649540.db2.gz OZBBPUUNSXOMHZ-JTQLQIEISA-N 1 0 208.265 0.480 10 0 BCAERO C[S@](=O)N1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000307569082 352657134 /nfs/dbraw/zinc/65/71/34/352657134.db2.gz WWAUBEGLTGBJRF-RVBZMBCESA-N 1 0 202.323 0.496 10 0 BCAERO C[S@](=O)N1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000307569084 352657441 /nfs/dbraw/zinc/65/74/41/352657441.db2.gz WWAUBEGLTGBJRF-ZDMBXUJBSA-N 1 0 202.323 0.496 10 0 BCAERO C[C@@H]1CC[C@@H]1[NH2+][C@H]1CCS(=O)(=O)C1 ZINC000307573193 352658488 /nfs/dbraw/zinc/65/84/88/352658488.db2.gz DTMPZFGNAMRITN-VGMNWLOBSA-N 1 0 203.307 0.562 10 0 BCAERO C[C@@H]1[N@H+](Cc2ccccc2)CC[C@]1(N)C(N)=O ZINC000307575833 352658989 /nfs/dbraw/zinc/65/89/89/352658989.db2.gz JMNDXBPGFVFBFK-GXFFZTMASA-N 1 0 233.315 0.464 10 0 BCAERO CCOC(=O)COCC[NH2+][C@H](C)COC ZINC000232428741 352661429 /nfs/dbraw/zinc/66/14/29/352661429.db2.gz HZYNBWLKJLXODU-SECBINFHSA-N 1 0 219.281 0.191 10 0 BCAERO CC1(C)SC[C@H]1NC(=O)[C@@H]1CC[NH2+]1 ZINC000307590139 352663780 /nfs/dbraw/zinc/66/37/80/352663780.db2.gz BNSINIUDHHYPCN-NKWVEPMBSA-N 1 0 200.307 0.359 10 0 BCAERO [NH3+][C@@H]1CN(C[C@@H]2CCCSC2)C1=O ZINC000307499506 352626718 /nfs/dbraw/zinc/62/67/18/352626718.db2.gz TUCWQQOXDSRERT-JGVFFNPUSA-N 1 0 200.307 0.299 10 0 BCAERO [NH3+][C@H]1CN(C[C@H]2CCCSC2)C1=O ZINC000307499507 352626772 /nfs/dbraw/zinc/62/67/72/352626772.db2.gz TUCWQQOXDSRERT-SFYZADRCSA-N 1 0 200.307 0.299 10 0 BCAERO C[N@@H+]1CC[C@H](NC(=O)c2ccc3c[nH]nc3c2)C1 ZINC000061670639 187783926 /nfs/dbraw/zinc/78/39/26/187783926.db2.gz NOLPNRCZBCUOND-NSHDSACASA-N 1 0 244.298 0.997 10 0 BCAERO C[S@@](=O)C1(CN2CCCC2=[NH2+])CC1 ZINC000307514354 352632338 /nfs/dbraw/zinc/63/23/38/352632338.db2.gz MCFNIHHSJPQFJC-CYBMUJFWSA-N 1 0 200.307 0.971 10 0 BCAERO COC[C@@H]1C[NH2+]CCN1C(=O)C(C)(C)C ZINC000725273268 538105012 /nfs/dbraw/zinc/10/50/12/538105012.db2.gz RSMLHOFVKZRGOB-VIFPVBQESA-N 1 0 214.309 0.479 10 0 BCAERO C[C@@H]1C[C@H]1NC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000638767323 352707587 /nfs/dbraw/zinc/70/75/87/352707587.db2.gz XKAAUQKDVNMWGO-WCTZXXKLSA-N 1 0 236.237 0.909 10 0 BCAERO CC[C@@H]1C[NH+]=C(N[C@@H]2CNC(=O)C2)S1 ZINC000229255310 352710574 /nfs/dbraw/zinc/71/05/74/352710574.db2.gz MYSBLKRKHKSXJG-NKWVEPMBSA-N 1 0 213.306 0.346 10 0 BCAERO c1coc(SC[C@@H]2C[NH2+]CCO2)n1 ZINC000232472520 352740938 /nfs/dbraw/zinc/74/09/38/352740938.db2.gz GVMCENPLLCDUJS-ZETCQYMHSA-N 1 0 200.263 0.755 10 0 BCAERO C[C@@H]1C[C@H](NC(=O)C2C[NH2+]C2)CS1 ZINC000307651080 352742805 /nfs/dbraw/zinc/74/28/05/352742805.db2.gz RHYRMMTXLRKJRV-SVRRBLITSA-N 1 0 200.307 0.216 10 0 BCAERO C[S@@](=O)CCN1CC[NH2+]C(C)(C)C1 ZINC000229285073 352750136 /nfs/dbraw/zinc/75/01/36/352750136.db2.gz UELVYTNCFYTRCL-CYBMUJFWSA-N 1 0 204.339 0.049 10 0 BCAERO Cn1cnnc1[C@@H](C[NH3+])c1ccccc1 ZINC000061609614 180797069 /nfs/dbraw/zinc/79/70/69/180797069.db2.gz DHGPGWWBNGVVEL-JTQLQIEISA-N 1 0 202.261 0.906 10 0 BCAERO COCCC(=O)N1CCCC[C@H](C[NH3+])C1 ZINC000308862795 538105494 /nfs/dbraw/zinc/10/54/94/538105494.db2.gz PTMIKPZATJOHCA-SNVBAGLBSA-N 1 0 214.309 0.610 10 0 BCAERO Cn1cnnc1CNC(=O)C1([NH3+])CCCCC1 ZINC000038008117 180793119 /nfs/dbraw/zinc/79/31/19/180793119.db2.gz WZUPJCKZANNSSH-UHFFFAOYSA-N 1 0 237.307 0.093 10 0 BCAERO CC(C)(C[NH3+])[C@H]1COCC12OCCO2 ZINC000299805556 187865959 /nfs/dbraw/zinc/86/59/59/187865959.db2.gz UWHYSKFCPWYJPJ-MRVPVSSYSA-N 1 0 201.266 0.361 10 0 BCAERO CN1CC[C@@H](NC(=[NH2+])NCc2ccccc2)C1=O ZINC000307687174 352920147 /nfs/dbraw/zinc/92/01/47/352920147.db2.gz DOROEYTVSIOPQG-LLVKDONJSA-N 1 0 246.314 0.531 10 0 BCAERO Nc1cc[nH+]c(N2CCSCC2)c1N ZINC000307694081 352970822 /nfs/dbraw/zinc/97/08/22/352970822.db2.gz YZECUQQUDWPPPQ-UHFFFAOYSA-N 1 0 210.306 0.799 10 0 BCAERO CO[C@H]1C[C@@H](CNC(=O)[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000638807313 352980665 /nfs/dbraw/zinc/98/06/65/352980665.db2.gz JMSKDFGRUIAMAF-ZNSHCXBVSA-N 1 0 226.320 0.655 10 0 BCAERO CO[C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000638809619 352986854 /nfs/dbraw/zinc/98/68/54/352986854.db2.gz UAWCMZFZKFWIHG-WISYIIOYSA-N 1 0 240.347 0.903 10 0 BCAERO CCN1CC[N@@H+](C(C)(C)CO)C[C@H]1C ZINC000306560328 353024787 /nfs/dbraw/zinc/02/47/87/353024787.db2.gz RNUPVUPZUBCOAE-SNVBAGLBSA-N 1 0 200.326 0.783 10 0 BCAERO O=C1C[C@H]([NH2+][C@@H]2CCC[C@H](O)C2)CCCN1 ZINC000638858121 353034493 /nfs/dbraw/zinc/03/44/93/353034493.db2.gz LJCCHTOFQDLAGC-MXWKQRLJSA-N 1 0 226.320 0.548 10 0 BCAERO C[NH2+][C@H](C)C(=O)N[C@@H]1CCC(F)(F)C1 ZINC000306341689 353005942 /nfs/dbraw/zinc/00/59/42/353005942.db2.gz YDZUUBLFMLUQKC-RNFRBKRXSA-N 1 0 206.236 0.898 10 0 BCAERO Cc1cc(C(=O)N2C[C@H](C)[C@@H](C[NH3+])C2)[nH]n1 ZINC000638889316 353058209 /nfs/dbraw/zinc/05/82/09/353058209.db2.gz PXUVZNDKGHSMJE-CBAPKCEASA-N 1 0 222.292 0.385 10 0 BCAERO Cc1cc(C(=O)N2C[C@@H](C)[C@@H](C[NH3+])C2)no1 ZINC000638890657 353058672 /nfs/dbraw/zinc/05/86/72/353058672.db2.gz XNMNPMWUHTUCDD-APPZFPTMSA-N 1 0 223.276 0.650 10 0 BCAERO C[NH2+]Cc1ccc(S(N)(=O)=O)c(C)c1 ZINC000307207728 353060299 /nfs/dbraw/zinc/06/02/99/353060299.db2.gz IRHPYSLDBIHYFX-UHFFFAOYSA-N 1 0 214.290 0.362 10 0 BCAERO C[C@@H](C(N)=S)[N@H+]1C[C@H](O)C[C@H](C)C1 ZINC000307228762 353062490 /nfs/dbraw/zinc/06/24/90/353062490.db2.gz JURXLJKQBBKIQS-BIIVOSGPSA-N 1 0 202.323 0.364 10 0 BCAERO Cc1conc1C(=O)N1C[C@H](C)[C@H](C[NH3+])C1 ZINC000638901397 353063013 /nfs/dbraw/zinc/06/30/13/353063013.db2.gz JJHAIRDFKTULLP-IONNQARKSA-N 1 0 223.276 0.650 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)N2C[C@@H](C)[C@@H](C[NH3+])C2)O1 ZINC000638900929 353063051 /nfs/dbraw/zinc/06/30/51/353063051.db2.gz IMHBLGXERVVKFC-CHWFTXMASA-N 1 0 226.320 0.607 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)N2C[C@H](C)[C@H](C[NH3+])C2)O1 ZINC000638900935 353063100 /nfs/dbraw/zinc/06/31/00/353063100.db2.gz IMHBLGXERVVKFC-LNFKQOIKSA-N 1 0 226.320 0.607 10 0 BCAERO CO[C@H](C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1)C1CCC1 ZINC000638902647 353063660 /nfs/dbraw/zinc/06/36/60/353063660.db2.gz LISWFVMUQLHBHT-JLLWLGSASA-N 1 0 240.347 0.855 10 0 BCAERO CO[C@H](C(=O)N1C[C@@H](C)[C@@H](C[NH3+])C1)C1CCC1 ZINC000638902648 353063760 /nfs/dbraw/zinc/06/37/60/353063760.db2.gz LISWFVMUQLHBHT-USWWRNFRSA-N 1 0 240.347 0.855 10 0 BCAERO [NH3+]Cc1noc2c1CC1(CC2)OCCO1 ZINC000536950483 323953859 /nfs/dbraw/zinc/95/38/59/323953859.db2.gz OXLDDTOLJDQIPC-UHFFFAOYSA-N 1 0 210.233 0.365 10 0 BCAERO [NH3+]CC1(N2CCCSCC2)CSC1 ZINC000306947722 353046477 /nfs/dbraw/zinc/04/64/77/353046477.db2.gz QQHWCYYQFWGBJR-UHFFFAOYSA-N 1 0 218.391 0.870 10 0 BCAERO C[S@](=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000307419061 353076168 /nfs/dbraw/zinc/07/61/68/353076168.db2.gz MSUZDWGOJZAXFB-AWEZNQCLSA-N 1 0 216.350 0.746 10 0 BCAERO CCOCC(=O)N1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000638888303 353049631 /nfs/dbraw/zinc/04/96/31/353049631.db2.gz XJRWBKYXKMZUOE-BDAKNGLRSA-N 1 0 200.282 0.076 10 0 BCAERO Cc1cc(C(=O)N2C[C@H](C)[C@@H](C[NH3+])C2)n(C)n1 ZINC000638885042 353052134 /nfs/dbraw/zinc/05/21/34/353052134.db2.gz AOFLXPMYXVVBFM-WPRPVWTQSA-N 1 0 236.319 0.395 10 0 BCAERO COCCC(=O)N1C[C@H](C)[C@H](C[NH3+])C1 ZINC000638885667 353052694 /nfs/dbraw/zinc/05/26/94/353052694.db2.gz DLVGQBVNLIJMIM-DTWKUNHWSA-N 1 0 200.282 0.076 10 0 BCAERO COCCC(=O)N1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000638885668 353052826 /nfs/dbraw/zinc/05/28/26/353052826.db2.gz DLVGQBVNLIJMIM-IUCAKERBSA-N 1 0 200.282 0.076 10 0 BCAERO C[C@@H]1CN(C(=O)[C@@H]2CCOC2)C[C@@H]1C[NH3+] ZINC000638887116 353053787 /nfs/dbraw/zinc/05/37/87/353053787.db2.gz TVBAHIFCXWIRSC-BBBLOLIVSA-N 1 0 212.293 0.076 10 0 BCAERO Cc1ncoc1C(=O)N1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000638892996 353054742 /nfs/dbraw/zinc/05/47/42/353054742.db2.gz LAOFWVSFAIRAKC-APPZFPTMSA-N 1 0 223.276 0.650 10 0 BCAERO C[C@H]1CN(C(=O)c2ccc(F)cn2)C[C@@H]1C[NH3+] ZINC000638894495 353055326 /nfs/dbraw/zinc/05/53/26/353055326.db2.gz PPKNNMDEEOFWOU-IUCAKERBSA-N 1 0 237.278 0.888 10 0 BCAERO C[C@H]1CN(C(=O)c2ccccn2)C[C@@H]1C[NH3+] ZINC000638896098 353056656 /nfs/dbraw/zinc/05/66/56/353056656.db2.gz WKLXSWKRCPSRGQ-UWVGGRQHSA-N 1 0 219.288 0.748 10 0 BCAERO C[C@@H]1CN(C(=O)[C@H]2CCCCO2)C[C@@H]1C[NH3+] ZINC000638896551 353057558 /nfs/dbraw/zinc/05/75/58/353057558.db2.gz WZAJYZYPZMUILY-OUAUKWLOSA-N 1 0 226.320 0.609 10 0 BCAERO [NH3+]CCN1CCC[C@H](C2OCCO2)C1 ZINC000307723604 353111610 /nfs/dbraw/zinc/11/16/10/353111610.db2.gz VPDWMGGEISBEMB-VIFPVBQESA-N 1 0 200.282 0.030 10 0 BCAERO C[C@H]([NH3+])Cn1cnc2sccc2c1=O ZINC000059107107 353099363 /nfs/dbraw/zinc/09/93/63/353099363.db2.gz PFVWQBZPNXZXBJ-LURJTMIESA-N 1 0 209.274 0.805 10 0 BCAERO Nc1ccc(OCC2=[NH+]CCN2)cc1F ZINC000536955106 323964362 /nfs/dbraw/zinc/96/43/62/323964362.db2.gz OBNALMOKERMEAY-UHFFFAOYSA-N 1 0 209.224 0.788 10 0 BCAERO CN1CCO[C@@H](C[N@H+](C)CCCCCO)C1 ZINC000223047163 353126922 /nfs/dbraw/zinc/12/69/22/353126922.db2.gz VBKKANKNFMWCFS-LBPRGKRZSA-N 1 0 230.352 0.411 10 0 BCAERO CC(C)([NH3+])CN1CCC[C@H](c2nnc[nH]2)C1 ZINC000261983589 535199460 /nfs/dbraw/zinc/19/94/60/535199460.db2.gz RQEADGOXHDXGAJ-VIFPVBQESA-N 1 0 223.324 0.721 10 0 BCAERO CCN1CCC[C@@H]([NH2+][C@@H](C)CC(N)=O)C1 ZINC000336756602 353155971 /nfs/dbraw/zinc/15/59/71/353155971.db2.gz ITJQIKOZOHALFL-VHSXEESVSA-N 1 0 213.325 0.324 10 0 BCAERO CCN1CCC[C@H]([NH2+][C@@H](C)CC(N)=O)C1 ZINC000336756601 353156072 /nfs/dbraw/zinc/15/60/72/353156072.db2.gz ITJQIKOZOHALFL-UWVGGRQHSA-N 1 0 213.325 0.324 10 0 BCAERO CC(C)(C)OC(=O)N[C@H](CO)[C@H]1CC[NH2+]C1 ZINC000002527705 188101268 /nfs/dbraw/zinc/10/12/68/188101268.db2.gz RUIASJBMHNWWMB-DTWKUNHWSA-N 1 0 230.308 0.482 10 0 BCAERO COC[C@H]([NH3+])C(=O)N[C@]12C[C@H]1CCCC2 ZINC000638975180 353180653 /nfs/dbraw/zinc/18/06/53/353180653.db2.gz XWOCFJBSVYEVTP-WCABBAIRSA-N 1 0 212.293 0.409 10 0 BCAERO Cc1n[nH]c(C)c1C(=O)NC1CC[NH2+]CC1 ZINC000036167315 188112246 /nfs/dbraw/zinc/11/22/46/188112246.db2.gz VYFLNVWBGIIYHC-UHFFFAOYSA-N 1 0 222.292 0.508 10 0 BCAERO CCC[N@H+](C[C@@H](O)Cn1cc(N)cn1)C1CC1 ZINC000037096607 188113067 /nfs/dbraw/zinc/11/30/67/188113067.db2.gz RPPNZAISJQDBSY-GFCCVEGCSA-N 1 0 238.335 0.701 10 0 BCAERO CNS(=O)(=O)c1ccc(C[NH2+]C)cc1 ZINC000037473248 188114127 /nfs/dbraw/zinc/11/41/27/188114127.db2.gz MWGVNCDYTIBGCR-UHFFFAOYSA-N 1 0 214.290 0.314 10 0 BCAERO CCC(=O)NC1CCN(C(=O)C[C@@H](C)[NH3+])CC1 ZINC000037814278 188114832 /nfs/dbraw/zinc/11/48/32/188114832.db2.gz IBKXAFBPKKRWSL-SECBINFHSA-N 1 0 241.335 0.241 10 0 BCAERO Cc1oncc1C(=O)N[C@H]1CCCC[C@H]1[NH3+] ZINC000038048987 188117055 /nfs/dbraw/zinc/11/70/55/188117055.db2.gz RMUOBCYAHNCZDM-ZJUUUORDSA-N 1 0 223.276 0.983 10 0 BCAERO CC(C)([NH3+])C(=O)N[C@@H]1CCC[C@@H](O)C1 ZINC000040921086 188118278 /nfs/dbraw/zinc/11/82/78/188118278.db2.gz ZSWUZLMXLJDCJF-HTQZYQBOSA-N 1 0 200.282 0.143 10 0 BCAERO CC1(C)Cc2c(ccn2CC(N)=O)[C@@H]([NH3+])C1 ZINC000041726635 188119382 /nfs/dbraw/zinc/11/93/82/188119382.db2.gz AWCXDKUPCBYMIU-VIFPVBQESA-N 1 0 221.304 0.946 10 0 BCAERO COC(=O)C[C@H](C)[N@@H+]1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000042429759 188119430 /nfs/dbraw/zinc/11/94/30/188119430.db2.gz JVUKCDLYAIEASN-GUBZILKMSA-N 1 0 242.319 0.524 10 0 BCAERO CC(C)N(CC(N)=O)C(=O)[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000042439041 188119861 /nfs/dbraw/zinc/11/98/61/188119861.db2.gz KLYUMJKFEOZPGA-ZJUUUORDSA-N 1 0 241.335 0.097 10 0 BCAERO CC(C)N(CCO)C(=O)[C@H]1CC[C@H](C)[NH2+]C1 ZINC000042480933 188120432 /nfs/dbraw/zinc/12/04/32/188120432.db2.gz OSBFVBQOLSDNMS-QWRGUYRKSA-N 1 0 228.336 0.604 10 0 BCAERO CC(=O)N1CCC([NH2+][C@H]2CCCNC2)CC1 ZINC000043326906 188121830 /nfs/dbraw/zinc/12/18/30/188121830.db2.gz BKIHEPJELYMOQF-LBPRGKRZSA-N 1 0 225.336 0.339 10 0 BCAERO CC(C)N1C(=O)C[C@H]([NH2+][C@H]2CC2(C)C)C1=O ZINC000045118854 188123643 /nfs/dbraw/zinc/12/36/43/188123643.db2.gz NBUHOIQONQOEPI-IUCAKERBSA-N 1 0 224.304 0.910 10 0 BCAERO Cn1nccc1C(=O)N1CCC(C[NH3+])CC1 ZINC000044512442 188123804 /nfs/dbraw/zinc/12/38/04/188123804.db2.gz FVAODDQZTLTFRK-UHFFFAOYSA-N 1 0 222.292 0.231 10 0 BCAERO COCCn1cnnc1[C@H]1CCC[C@H]([NH3+])C1 ZINC000070502085 188130092 /nfs/dbraw/zinc/13/00/92/188130092.db2.gz CLVVEGGZUXZVOJ-UWVGGRQHSA-N 1 0 224.308 0.909 10 0 BCAERO COCCn1cnnc1[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000070502087 188130438 /nfs/dbraw/zinc/13/04/38/188130438.db2.gz CLVVEGGZUXZVOJ-NXEZZACHSA-N 1 0 224.308 0.909 10 0 BCAERO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)[C@H]1CCCO1 ZINC000040460052 188131160 /nfs/dbraw/zinc/13/11/60/188131160.db2.gz NMHFVUMHHKEWPM-AEJSXWLSSA-N 1 0 214.309 0.653 10 0 BCAERO CC(C)N(C)C(=O)CN1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000224843849 188154542 /nfs/dbraw/zinc/15/45/42/188154542.db2.gz CVOSGFMRTJWJMV-VXGBXAGGSA-N 1 0 241.379 0.912 10 0 BCAERO CC(C)(O)C[N@@H+]1CCSC[C@H]1CO ZINC000306364404 188155192 /nfs/dbraw/zinc/15/51/92/188155192.db2.gz AIDDLFWWMORRKQ-MRVPVSSYSA-N 1 0 205.323 0.167 10 0 BCAERO COC[C@H](C)C(=O)N1CCC([NH+](C)C)CC1 ZINC000103520281 188160725 /nfs/dbraw/zinc/16/07/25/188160725.db2.gz NILDIDWQAALBRK-JTQLQIEISA-N 1 0 228.336 0.822 10 0 BCAERO Cc1oncc1C(=O)NC[C@H]1CCC[NH2+]1 ZINC000053254065 188162283 /nfs/dbraw/zinc/16/22/83/188162283.db2.gz IPOLFSQWINSWIT-MRVPVSSYSA-N 1 0 209.249 0.465 10 0 BCAERO CC(C)COCC[NH2+][C@H]1CCC(=O)N[C@H]1C ZINC000309319191 188167694 /nfs/dbraw/zinc/16/76/94/188167694.db2.gz DSQHFWVZGWIPSY-QWRGUYRKSA-N 1 0 228.336 0.916 10 0 BCAERO CC(C)[C@@H]([NH3+])C(=O)N[C@@]1(C)CCOC1 ZINC000229461115 353258703 /nfs/dbraw/zinc/25/87/03/353258703.db2.gz YTRUMALAFWGDHD-SCZZXKLOSA-N 1 0 200.282 0.265 10 0 BCAERO CC(C)[N@H+](C)[C@@]1(CN)CN2CCC1CC2 ZINC000020442185 188176358 /nfs/dbraw/zinc/17/63/58/188176358.db2.gz MNPHKQKVAVBIBC-LBPRGKRZSA-N 1 0 211.353 0.750 10 0 BCAERO CCCn1cnnc1[C@@H]1C[C@@H](OC)C[NH2+]1 ZINC000054498006 188177331 /nfs/dbraw/zinc/17/73/31/188177331.db2.gz XJBIBFVCCRBNKY-BDAKNGLRSA-N 1 0 210.281 0.738 10 0 BCAERO CC(C)[C@H]([NH3+])C(=O)N[C@]1(C)CCOC1 ZINC000229461148 353258868 /nfs/dbraw/zinc/25/88/68/353258868.db2.gz YTRUMALAFWGDHD-WCBMZHEXSA-N 1 0 200.282 0.265 10 0 BCAERO C[C@@H]1C[N@@H+](CC(N)=S)C[C@H](C)N1C ZINC000127742790 353272038 /nfs/dbraw/zinc/27/20/38/353272038.db2.gz JJGXROLSWRNFES-OCAPTIKFSA-N 1 0 201.339 0.297 10 0 BCAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)C(C)(C)[NH3+] ZINC000040921097 188215974 /nfs/dbraw/zinc/21/59/74/188215974.db2.gz SZLDNJYPXOEWTA-SNVBAGLBSA-N 1 0 229.368 0.816 10 0 BCAERO CC(C)N(C)S(=O)(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000250518023 188221155 /nfs/dbraw/zinc/22/11/55/188221155.db2.gz RJJSNFMCCSQFLP-UWVGGRQHSA-N 1 0 249.380 0.288 10 0 BCAERO C[C@@H]1CO[C@@H](CO)CN1C[C@H]1CCC[NH2+]C1 ZINC000251742341 353287857 /nfs/dbraw/zinc/28/78/57/353287857.db2.gz KXIDQCNCIOZBLI-GRYCIOLGSA-N 1 0 228.336 0.068 10 0 BCAERO O=C(NCCOC(F)(F)F)[C@H]1C[C@H](F)C[NH2+]1 ZINC000639033805 353304744 /nfs/dbraw/zinc/30/47/44/353304744.db2.gz XNVZLAZBKRJCSA-NTSWFWBYSA-N 1 0 244.188 0.339 10 0 BCAERO C[N@H+](CCC(N)=O)[C@H]1CCCC[C@@H]1O ZINC000166881741 133960863 /nfs/dbraw/zinc/96/08/63/133960863.db2.gz NAOZFMHPTDCXJX-IUCAKERBSA-N 1 0 200.282 0.097 10 0 BCAERO [NH3+][C@]1([C@@H]2CCSC2)CCS(=O)(=O)C1 ZINC000405383805 353320054 /nfs/dbraw/zinc/32/00/54/353320054.db2.gz KEMVJWBRTVTDJO-HTQZYQBOSA-N 1 0 221.347 0.256 10 0 BCAERO C[C@@H](O)CNC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000218875021 353491764 /nfs/dbraw/zinc/49/17/64/353491764.db2.gz FMKONZZTEJTSQB-IWSPIJDZSA-N 1 0 200.282 0.001 10 0 BCAERO Cc1cccc(C[NH2+][C@@H]2CCNC2=O)c1 ZINC000309098087 538117600 /nfs/dbraw/zinc/11/76/00/538117600.db2.gz FOGLQZPZXOKLDV-LLVKDONJSA-N 1 0 204.273 0.973 10 0 BCAERO CN(Cc1nccn1C)C(=O)[C@H]1CCC[NH2+]C1 ZINC000037822968 358478980 /nfs/dbraw/zinc/47/89/80/358478980.db2.gz NQEMKZQQEYYPLV-JTQLQIEISA-N 1 0 236.319 0.378 10 0 BCAERO CC(=O)NCC[NH2+][C@@H]1CCCC[C@H]1O ZINC000037490925 188460642 /nfs/dbraw/zinc/46/06/42/188460642.db2.gz STYPYAXBUUJMDD-NXEZZACHSA-N 1 0 200.282 0.016 10 0 BCAERO CN(Cc1ccnn1C)[C@@H]1CCC[NH2+]CC1 ZINC000231462269 353605942 /nfs/dbraw/zinc/60/59/42/353605942.db2.gz DILPXVYNYPKQLS-LLVKDONJSA-N 1 0 222.336 0.994 10 0 BCAERO CN(C(=O)c1cnn(C)c1)[C@@H]1CCC[NH2+]CC1 ZINC000231479395 353606696 /nfs/dbraw/zinc/60/66/96/353606696.db2.gz NXNRMTFPJPSWKA-LLVKDONJSA-N 1 0 236.319 0.634 10 0 BCAERO CC(C)[C@H]([NH3+])C[C@H]1CCS(=O)(=O)C1 ZINC000038085281 188472676 /nfs/dbraw/zinc/47/26/76/188472676.db2.gz NGWDKKSEEYCMMN-RKDXNWHRSA-N 1 0 205.323 0.795 10 0 BCAERO CC(=O)NCC[NH2+]C[C@@](C)(O)c1ccccc1 ZINC000052097754 188482539 /nfs/dbraw/zinc/48/25/39/188482539.db2.gz NYVBRKOWSJMVDX-CYBMUJFWSA-N 1 0 236.315 0.620 10 0 BCAERO CCC1(C(=O)NC[C@@H]2C[NH2+]C[C@H]2O)CCC1 ZINC000262366924 535245265 /nfs/dbraw/zinc/24/52/65/535245265.db2.gz VSWAIXDYCCLFDM-VHSXEESVSA-N 1 0 226.320 0.263 10 0 BCAERO Cn1c2ccccc2nc1N1CCO[C@@H](C[NH3+])C1 ZINC000165841498 353739098 /nfs/dbraw/zinc/73/90/98/353739098.db2.gz UNLIXENTTLEEGB-JTQLQIEISA-N 1 0 246.314 0.737 10 0 BCAERO [NH3+][C@H]1COC[C@@H]1c1csc(CO)n1 ZINC000165844163 353745000 /nfs/dbraw/zinc/74/50/00/353745000.db2.gz GNNXVMUWYOCNMG-WDSKDSINSA-N 1 0 200.263 0.077 10 0 BCAERO Fc1cccnc1NC[C@H]1C[NH2+]CCO1 ZINC000227786409 181016043 /nfs/dbraw/zinc/01/60/43/181016043.db2.gz BMDRSGHZMZURHL-MRVPVSSYSA-N 1 0 211.240 0.621 10 0 BCAERO C[C@H](O)CCNC(=O)[C@@H]1C[C@@H](C)CC[NH2+]1 ZINC000229250289 363274713 /nfs/dbraw/zinc/27/47/13/363274713.db2.gz JBTRCNLYKUWBOM-GUBZILKMSA-N 1 0 214.309 0.262 10 0 BCAERO CC1(C)[C@H]([NH3+])[C@]12CCC[C@@H]2S(C)(=O)=O ZINC000301010762 363294054 /nfs/dbraw/zinc/29/40/54/363294054.db2.gz OEMYIUWKQSHMOH-OYNCUSHFSA-N 1 0 217.334 0.937 10 0 BCAERO C[C@H]1C[C@@H]([NH3+])[C@H](S(C)(=O)=O)[C@@H](C)C1 ZINC000252472173 363305415 /nfs/dbraw/zinc/30/54/15/363305415.db2.gz NDWQBVOMQFZUEP-BZNPZCIMSA-N 1 0 205.323 0.793 10 0 BCAERO CC1(C)[C@H](C[NH3+])[C@]12CCS(=O)(=O)C2 ZINC000301025683 363339589 /nfs/dbraw/zinc/33/95/89/363339589.db2.gz RUGHLJWYCSYPNB-IONNQARKSA-N 1 0 203.307 0.406 10 0 BCAERO C/C=C\C[C@]1(C[NH3+])CCS(=O)(=O)C1 ZINC000308129308 354139882 /nfs/dbraw/zinc/13/98/82/354139882.db2.gz CVRLZOXVYSFTOV-PKRMOACSSA-N 1 0 203.307 0.716 10 0 BCAERO C[C@@H]([NH3+])CNC(=O)[C@@H]1CCC(F)(F)C1 ZINC000301037933 363358491 /nfs/dbraw/zinc/35/84/91/363358491.db2.gz XWNJZFCEORBHBW-RNFRBKRXSA-N 1 0 206.236 0.885 10 0 BCAERO CO[C@H](C)C(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000113229537 354293021 /nfs/dbraw/zinc/29/30/21/354293021.db2.gz SBOGDELYASHIHU-HBNTYKKESA-N 1 0 226.320 0.716 10 0 BCAERO CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCn2ccnc2C1 ZINC000334683755 354429616 /nfs/dbraw/zinc/42/96/16/354429616.db2.gz ISTMSOKSCJISBF-MNOVXSKESA-N 1 0 248.330 0.613 10 0 BCAERO Cc1cn[nH]c1C[N@H+]1C[C@H](O)C[C@H](C)C1 ZINC000334735886 354536538 /nfs/dbraw/zinc/53/65/38/354536538.db2.gz UNDWNTHOJYKEIR-WCBMZHEXSA-N 1 0 209.293 0.921 10 0 BCAERO CC[C@H]([NH3+])[C@H](O)c1ncc(Cl)n1C ZINC000301048077 363380035 /nfs/dbraw/zinc/38/00/35/363380035.db2.gz ZBFYUCRBSUBFQS-FSPLSTOPSA-N 1 0 203.673 0.844 10 0 BCAERO C[C@H](N)[C@@H](CO)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000224817649 363442547 /nfs/dbraw/zinc/44/25/47/363442547.db2.gz OIJPSJNQQURUCU-ZRUFSTJUSA-N 1 0 200.326 0.672 10 0 BCAERO NC(=[NH2+])C[C@H](O)COc1ccc(F)cc1 ZINC000040539136 181186722 /nfs/dbraw/zinc/18/67/22/181186722.db2.gz UTSISSVSOGDSKB-QMMMGPOBSA-N 1 0 212.224 0.891 10 0 BCAERO NC(=[NH2+])CCN(CCN1CCOCC1)C1CC1 ZINC000042548003 181186530 /nfs/dbraw/zinc/18/65/30/181186530.db2.gz OUEIKRDDJPDVKJ-UHFFFAOYSA-N 1 0 240.351 0.109 10 0 BCAERO NC(=[NH2+])CSc1nnnn1-c1ccccc1 ZINC000019863688 181186594 /nfs/dbraw/zinc/18/65/94/181186594.db2.gz NLWYVHFTGOYNGF-UHFFFAOYSA-N 1 0 234.288 0.690 10 0 BCAERO NC(=[NH2+])NC(=[NH2+])Nc1ccccc1[S-] ZINC000000164150 181190194 /nfs/dbraw/zinc/19/01/94/181190194.db2.gz AAYASIIBWSAPGP-UHFFFAOYSA-N 1 0 209.278 0.805 10 0 BCAERO NC(=[NH2+])SC1=C(Cl)CS(=O)(=O)C1 ZINC000040166231 181191521 /nfs/dbraw/zinc/19/15/21/181191521.db2.gz FXHDCNZDSNFNGV-UHFFFAOYSA-N 1 0 226.710 0.492 10 0 BCAERO NC(=[NH2+])n1[n-]c(-c2ccccc2)c(CC[NH3+])c1=O ZINC000004235051 181197535 /nfs/dbraw/zinc/19/75/35/181197535.db2.gz KEODWCQGPRIWDQ-UHFFFAOYSA-N 1 0 245.286 0.086 10 0 BCAERO CC(C)(O)CCN1CC[N@@H+]2CCC[C@H]2C1 ZINC000250357701 535285948 /nfs/dbraw/zinc/28/59/48/535285948.db2.gz BZRDSRODIDBGFP-NSHDSACASA-N 1 0 212.337 0.927 10 0 BCAERO CN1C[C@H](C[NH2+]Cc2ccns2)CC1=O ZINC000639321575 355722792 /nfs/dbraw/zinc/72/27/92/355722792.db2.gz PPKAIHYTHDAVCL-QMMMGPOBSA-N 1 0 225.317 0.711 10 0 BCAERO CCC[C@H](C[NH2+]C[C@@H]1CC(=O)N(C)C1)OC ZINC000639321538 355722961 /nfs/dbraw/zinc/72/29/61/355722961.db2.gz OOOOKBAWZRXIST-WDEREUQCSA-N 1 0 228.336 0.869 10 0 BCAERO Cc1nnsc1C[NH2+]C1CC(CO)C1 ZINC000639334186 355764413 /nfs/dbraw/zinc/76/44/13/355764413.db2.gz AGMAKCVOWSGYQK-UHFFFAOYSA-N 1 0 213.306 0.707 10 0 BCAERO COc1cc(C[NH2+][C@@H]2CCOC[C@@H]2O)sn1 ZINC000639354109 355803411 /nfs/dbraw/zinc/80/34/11/355803411.db2.gz DGJMQLLYUMXWPQ-BDAKNGLRSA-N 1 0 244.316 0.391 10 0 BCAERO O[C@@H]1COCC[C@@H]1[NH2+]CCC1CCOCC1 ZINC000639355599 355809754 /nfs/dbraw/zinc/80/97/54/355809754.db2.gz WDISSDVEMYEVRI-NWDGAFQWSA-N 1 0 229.320 0.543 10 0 BCAERO C[C@H]([NH3+])CCNc1cn[nH]c(=O)c1Cl ZINC000087798482 355857847 /nfs/dbraw/zinc/85/78/47/355857847.db2.gz CKCRPWIZZHIBPQ-YFKPBYRVSA-N 1 0 216.672 0.573 10 0 BCAERO CN(C(=O)[C@H]1CC[C@H]([NH3+])C1)C1CCOCC1 ZINC000085010783 355910902 /nfs/dbraw/zinc/91/09/02/355910902.db2.gz RZVLRPNXWUARRU-UWVGGRQHSA-N 1 0 226.320 0.751 10 0 BCAERO CN(C(=O)[C@@H]1CC[C@H]([NH3+])C1)C1CCOCC1 ZINC000085010780 355911419 /nfs/dbraw/zinc/91/14/19/355911419.db2.gz RZVLRPNXWUARRU-ZJUUUORDSA-N 1 0 226.320 0.751 10 0 BCAERO NC(=O)CC1CCN([C@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000042438608 181220161 /nfs/dbraw/zinc/22/01/61/181220161.db2.gz NSRVSEUKXSBQSG-RYUDHWBXSA-N 1 0 239.363 0.844 10 0 BCAERO NC(=O)CC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000042438586 181220800 /nfs/dbraw/zinc/22/08/00/181220800.db2.gz YMTYJSXCTVNHLH-RYUDHWBXSA-N 1 0 240.347 0.877 10 0 BCAERO NC(=O)CCC[N@H+]1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000054628309 181221563 /nfs/dbraw/zinc/22/15/63/181221563.db2.gz ASKWTQQOANPOTK-PBINXNQUSA-N 1 0 211.309 0.206 10 0 BCAERO NC(=O)CCC[NH2+]C[C@@H](O)COC1CCCC1 ZINC000037894407 181222654 /nfs/dbraw/zinc/22/26/54/181222654.db2.gz GEWOWJPRHVFIIN-SNVBAGLBSA-N 1 0 244.335 0.162 10 0 BCAERO NC(=O)CCC[NH2+]C[C@H](O)COC1CCCC1 ZINC000037894408 181223343 /nfs/dbraw/zinc/22/33/43/181223343.db2.gz GEWOWJPRHVFIIN-JTQLQIEISA-N 1 0 244.335 0.162 10 0 BCAERO NC(=O)CNCc1cccc(F)c1F ZINC000036888521 181235445 /nfs/dbraw/zinc/23/54/45/181235445.db2.gz RWTCTQTWSNEGMW-UHFFFAOYSA-N 1 0 200.188 0.540 10 0 BCAERO NC(=O)C[NH2+][C@H]1CCc2c1cccc2O ZINC000036851771 181237327 /nfs/dbraw/zinc/23/73/27/181237327.db2.gz ICMAJOMAZRJHND-VIFPVBQESA-N 1 0 206.245 0.454 10 0 BCAERO NC(=O)CC[C@@H]([NH3+])c1ccc2[nH]c(=O)oc2c1 ZINC000037636729 181226171 /nfs/dbraw/zinc/22/61/71/181226171.db2.gz QSDODBYAXUGRAB-SSDOTTSWSA-N 1 0 235.243 0.386 10 0 BCAERO NC(=O)C[C@@H]([NH3+])c1c(F)cccc1F ZINC000020578215 181241085 /nfs/dbraw/zinc/24/10/85/181241085.db2.gz VAXMUMSNTANMNQ-SSDOTTSWSA-N 1 0 200.188 0.840 10 0 BCAERO NC(=O)N1CCC([NH2+]Cc2ccco2)CC1 ZINC000037184277 181250961 /nfs/dbraw/zinc/25/09/61/181250961.db2.gz XWSIYPSPOIIGSM-UHFFFAOYSA-N 1 0 223.276 0.912 10 0 BCAERO NC(=O)C[C@H]([NH3+])c1c(F)cccc1F ZINC000020578212 181245352 /nfs/dbraw/zinc/24/53/52/181245352.db2.gz VAXMUMSNTANMNQ-ZETCQYMHSA-N 1 0 200.188 0.840 10 0 BCAERO NC(=O)NC(=O)C[NH2+]CCc1ccc(F)cc1 ZINC000020041481 181254068 /nfs/dbraw/zinc/25/40/68/181254068.db2.gz VXROIGANAACEAI-UHFFFAOYSA-N 1 0 239.250 0.153 10 0 BCAERO C[C@H](C[NH3+])CN=c1[nH]c2ccccc2[nH]1 ZINC000420216836 192193389 /nfs/dbraw/zinc/19/33/89/192193389.db2.gz NCKUUPLQLSDJQO-MRVPVSSYSA-N 1 0 204.277 0.992 10 0 BCAERO O[C@@H]1C[NH2+]C[C@H]1CNc1ncc(Cl)cc1F ZINC000420248705 192186939 /nfs/dbraw/zinc/18/69/39/192186939.db2.gz IKXIJWCSOLTDFD-IMTBSYHQSA-N 1 0 245.685 0.866 10 0 BCAERO O[C@H]1C[NH2+]C[C@@H]1CNc1ncc(Cl)cc1F ZINC000420248707 192187143 /nfs/dbraw/zinc/18/71/43/192187143.db2.gz IKXIJWCSOLTDFD-MUWHJKNJSA-N 1 0 245.685 0.866 10 0 BCAERO NC(=O)[C@@H](N)CC[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000062451433 181264941 /nfs/dbraw/zinc/26/49/41/181264941.db2.gz VTVKIEUBZYIIOW-TUAOUCFPSA-N 1 0 239.363 0.701 10 0 BCAERO NC(=O)[C@@H](c1ccsc1)N1CCC[NH2+]CC1 ZINC000037943766 181266116 /nfs/dbraw/zinc/26/61/16/181266116.db2.gz NFDGWKVXKSKLFF-SNVBAGLBSA-N 1 0 239.344 0.570 10 0 BCAERO CC1(C)CO[C@H](CN2CCO[C@@H](CO)C2)C1 ZINC000639514719 356355511 /nfs/dbraw/zinc/35/55/11/356355511.db2.gz PUVCXMXBUOTOAZ-WDEREUQCSA-N 1 0 229.320 0.495 10 0 BCAERO NC(=O)[C@@H]1CCC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000221111317 181269856 /nfs/dbraw/zinc/26/98/56/181269856.db2.gz WHNZKQHFXFTDPB-GHMZBOCLSA-N 1 0 225.336 0.183 10 0 BCAERO CC(C)n1nnnc1CN1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000420408849 192239662 /nfs/dbraw/zinc/23/96/62/192239662.db2.gz WJBBZARAFINMDQ-ZJUUUORDSA-N 1 0 238.339 0.436 10 0 BCAERO CS[C@H](C)C(=O)N[C@@H]1CC[N@H+](C)C1 ZINC000053295897 356403173 /nfs/dbraw/zinc/40/31/73/356403173.db2.gz NFDZWXLAMIBXTK-HTQZYQBOSA-N 1 0 202.323 0.558 10 0 BCAERO CC1(C)CO[C@H](C[N@@H+]2C[C@H](O)C[C@@H]2CO)C1 ZINC000639555019 356459885 /nfs/dbraw/zinc/45/98/85/356459885.db2.gz NDRPASFHVNMLQH-MXWKQRLJSA-N 1 0 229.320 0.229 10 0 BCAERO NC(=O)[C@H]([NH3+])CCN1Cc2ccccc2C1 ZINC000062531228 181276709 /nfs/dbraw/zinc/27/67/09/181276709.db2.gz CDRWETSMZATTHM-LLVKDONJSA-N 1 0 219.288 0.205 10 0 BCAERO NC(=O)[C@H]([NH3+])Cc1cccc(Br)c1 ZINC000039307598 181276945 /nfs/dbraw/zinc/27/69/45/181276945.db2.gz HSKXUUCZRHYWRR-MRVPVSSYSA-N 1 0 243.104 0.804 10 0 BCAERO NC(=O)[C@H]1CCCCN1[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000042406232 181279403 /nfs/dbraw/zinc/27/94/03/181279403.db2.gz KSENNXRVJMCPPP-QJPTWQEYSA-N 1 0 239.363 0.986 10 0 BCAERO NC(=O)[C@H]([NH2+]CC1CC1)c1ccc(O)cc1 ZINC000038000921 181277703 /nfs/dbraw/zinc/27/77/03/181277703.db2.gz VTEFLPDFFOPABK-LLVKDONJSA-N 1 0 220.272 0.918 10 0 BCAERO NC(=O)[C@H]([NH2+]C1CC1)c1ccc(O)cc1 ZINC000037870502 181278188 /nfs/dbraw/zinc/27/81/88/181278188.db2.gz XRBJCUSVCUEFFX-SNVBAGLBSA-N 1 0 206.245 0.671 10 0 BCAERO NC(=O)[C@]1(O)CCC[N@H+](C/C=C/Cl)C1 ZINC000286148213 181284694 /nfs/dbraw/zinc/28/46/94/181284694.db2.gz LALFOMCWXNJYSU-LXOKAJLYSA-N 1 0 218.684 0.051 10 0 BCAERO NC(=O)[C@]1([NH2+]CC2CC2)CCCSC1 ZINC000061590450 181284729 /nfs/dbraw/zinc/28/47/29/181284729.db2.gz INLLKZWLUMRKFB-JTQLQIEISA-N 1 0 214.334 0.737 10 0 BCAERO C[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000613521173 363473211 /nfs/dbraw/zinc/47/32/11/363473211.db2.gz AYXXFGKAHHWRPK-NOHGZBONSA-N 1 0 238.331 0.215 10 0 BCAERO CN1[C@@H](c2cccnc2)CC[C@H]1C(N)=O ZINC000238336455 363486357 /nfs/dbraw/zinc/48/63/57/363486357.db2.gz NILNZJRCICEFQO-ZJUUUORDSA-N 1 0 205.261 0.702 10 0 BCAERO COc1cccc([C@@]2(CO)CC[NH2+]C2)c1 ZINC000238408065 363487224 /nfs/dbraw/zinc/48/72/24/363487224.db2.gz JXGOBSYGXNXELR-LBPRGKRZSA-N 1 0 207.273 0.919 10 0 BCAERO [NH3+][C@H](Cc1c[nH]c2cc[nH+]cc12)C(=O)[O-] ZINC000083285202 538465454 /nfs/dbraw/zinc/46/54/54/538465454.db2.gz ANQYIRMPOYWSSM-MRVPVSSYSA-N 1 0 205.217 0.517 10 0 BCAERO CCCCNC(=O)NC[C@@]1(C)C[NH2+]CCO1 ZINC000675058825 538481891 /nfs/dbraw/zinc/48/18/91/538481891.db2.gz AFWRWDVUTNMKBU-LLVKDONJSA-N 1 0 229.324 0.464 10 0 BCAERO CC(C)(C)C(=O)NC[C@]1(C)C[NH2+]CCO1 ZINC000675059042 538482907 /nfs/dbraw/zinc/48/29/07/538482907.db2.gz IADARWOOLOTRSD-NSHDSACASA-N 1 0 214.309 0.527 10 0 BCAERO O=C(C1CC1)N1CCC(OC2C[NH2+]C2)CC1 ZINC000675055364 538475115 /nfs/dbraw/zinc/47/51/15/538475115.db2.gz RGBGNXSARPEWBQ-UHFFFAOYSA-N 1 0 224.304 0.376 10 0 BCAERO CC(C)(C)OC(=O)[C@H]1CCCN(CC[NH3+])C1=O ZINC000675055993 538476759 /nfs/dbraw/zinc/47/67/59/538476759.db2.gz HFAMZRKMJIQRJQ-VIFPVBQESA-N 1 0 242.319 0.525 10 0 BCAERO CC(C)S(=O)(=O)N1CC[C@@]2(C[NH3+])CCC[C@@H]12 ZINC000675055881 538477346 /nfs/dbraw/zinc/47/73/46/538477346.db2.gz AZKWFVKYAPYVJD-GHMZBOCLSA-N 1 0 246.376 0.928 10 0 BCAERO CCCC(=O)N1CCO[C@](C)(C[NH3+])C1 ZINC000675059107 538483669 /nfs/dbraw/zinc/48/36/69/538483669.db2.gz KODSCFRTMCLMMG-SNVBAGLBSA-N 1 0 200.282 0.363 10 0 BCAERO CCCS(=O)(=O)N1CC[C@@H]2CC[NH2+]C[C@@H]21 ZINC000675057068 538478897 /nfs/dbraw/zinc/47/88/97/538478897.db2.gz UYQDPIRZUXYNNX-UWVGGRQHSA-N 1 0 232.349 0.410 10 0 BCAERO [NH3+]C[C@@H]1C[C@@H]2C[C@@H](NS(=O)(=O)C3CC3)[C@@H]2C1 ZINC000675068496 538496809 /nfs/dbraw/zinc/49/68/09/538496809.db2.gz APLJKJHZGXBIEW-YJFSRANCSA-N 1 0 244.360 0.442 10 0 BCAERO CC[C@@]1(C[NH3+])CN(C(=O)C2CCC2)CCO1 ZINC000675059732 538485133 /nfs/dbraw/zinc/48/51/33/538485133.db2.gz VVSJSJTWTDLDCO-GFCCVEGCSA-N 1 0 226.320 0.753 10 0 BCAERO CCC[C@]1(C[NH3+])CN(C(=O)C(C)C)CCO1 ZINC000675059904 538485485 /nfs/dbraw/zinc/48/54/85/538485485.db2.gz XPBKPGOYBSGXAB-LBPRGKRZSA-N 1 0 228.336 0.999 10 0 BCAERO CC[C@]1(C[NH3+])CN(C(=O)C(C)(C)C)CCO1 ZINC000675059865 538485714 /nfs/dbraw/zinc/48/57/14/538485714.db2.gz WSQMFIOGUIWWGY-LBPRGKRZSA-N 1 0 228.336 0.999 10 0 BCAERO [NH3+]C[C@@H]1C[C@@H]2C[C@@H](NC(=O)C3CC3)[C@@H]2C1 ZINC000675068475 538496926 /nfs/dbraw/zinc/49/69/26/538496926.db2.gz AENKQHZSYZCUTF-QCNRFFRDSA-N 1 0 208.305 0.886 10 0 BCAERO O=C(CC1CC1)N(C1C[NH2+]C1)[C@@H]1CCOC1 ZINC000675070271 538500464 /nfs/dbraw/zinc/50/04/64/538500464.db2.gz NMOZSZSWKFIRBK-SNVBAGLBSA-N 1 0 224.304 0.376 10 0 BCAERO CCCS(=O)(=O)NC[C@]12C[C@H]1CCC[NH2+]2 ZINC000675070298 538500697 /nfs/dbraw/zinc/50/06/97/538500697.db2.gz NXQCOZWNEJYHIE-NXEZZACHSA-N 1 0 232.349 0.458 10 0 BCAERO CC(C)NC(=O)N1CCC[C@H]2C[C@]21C[NH3+] ZINC000675070322 538500857 /nfs/dbraw/zinc/50/08/57/538500857.db2.gz OIKPBVUBZPHPME-ONGXEEELSA-N 1 0 211.309 0.918 10 0 BCAERO CC(C)[C@@H](C)C(=O)NCCC1(O)C[NH2+]C1 ZINC000675070547 538501953 /nfs/dbraw/zinc/50/19/53/538501953.db2.gz PIZTUAGGZJULQB-SECBINFHSA-N 1 0 214.309 0.119 10 0 BCAERO CCOC(=O)N1CCC2(CC1)OCC[C@H]2[NH3+] ZINC000675070805 538501983 /nfs/dbraw/zinc/50/19/83/538501983.db2.gz STLGDACWDKISFT-SECBINFHSA-N 1 0 228.292 0.725 10 0 BCAERO CC[NH2+]C[C@@](O)(C(=O)OC)C(F)(F)F ZINC000675072262 538502612 /nfs/dbraw/zinc/50/26/12/538502612.db2.gz AQQVSEYNURAMFM-ZCFIWIBFSA-N 1 0 215.171 0.062 10 0 BCAERO Cn1ncc(Cl)c1C1=C[C@@H](O)C[NH2+]C1 ZINC000675076372 538511475 /nfs/dbraw/zinc/51/14/75/538511475.db2.gz BUAVYURCQPSTBH-SSDOTTSWSA-N 1 0 213.668 0.421 10 0 BCAERO CC1(C)CN(C(=O)Cc2ccon2)CC[C@H]1[NH3+] ZINC000262166327 535336548 /nfs/dbraw/zinc/33/65/48/535336548.db2.gz YHVWQFRLYXBIOI-SNVBAGLBSA-N 1 0 237.303 0.803 10 0 BCAERO Cc1nc(CC2=C[C@@H](O)C[NH2+]C2)cs1 ZINC000675076821 538511508 /nfs/dbraw/zinc/51/15/08/538511508.db2.gz GLFNKECOSXHKJT-SNVBAGLBSA-N 1 0 210.302 0.885 10 0 BCAERO [NH3+][C@@H]1C[C@@H]2C[C@@H](CNS(=O)(=O)C3CC3)C[C@@H]12 ZINC000675074131 538506946 /nfs/dbraw/zinc/50/69/46/538506946.db2.gz YCRJCZUIPUFXNV-JZSSXWJLSA-N 1 0 244.360 0.442 10 0 BCAERO CC[NH2+]Cc1cnn(C(C)C)c1S(N)(=O)=O ZINC000675074690 538507439 /nfs/dbraw/zinc/50/74/39/538507439.db2.gz HRFFPXZAZLRTAC-UHFFFAOYSA-N 1 0 246.336 0.221 10 0 BCAERO Cn1cncc1-c1cnn2c1C[NH2+]CC2 ZINC000675076272 538510130 /nfs/dbraw/zinc/51/01/30/538510130.db2.gz MYVNXVVRKPTBSQ-UHFFFAOYSA-N 1 0 203.249 0.387 10 0 BCAERO COc1ccncc1C1=C[C@@H](O)C[NH2+]C1 ZINC000675077465 538513729 /nfs/dbraw/zinc/51/37/29/538513729.db2.gz MWEFAKUMVLZQID-SECBINFHSA-N 1 0 206.245 0.438 10 0 BCAERO Cn1nc(CC2=C[C@H](N)C[NH2+]C2)cc1Cl ZINC000675077686 538514094 /nfs/dbraw/zinc/51/40/94/538514094.db2.gz HFDWQOWFMJECFJ-QMMMGPOBSA-N 1 0 226.711 0.473 10 0 BCAERO COc1nc(C2=C[C@@H](O)C[NH2+]C2)cs1 ZINC000675078357 538514963 /nfs/dbraw/zinc/51/49/63/538514963.db2.gz XSJLZWWOQHTJLD-SSDOTTSWSA-N 1 0 212.274 0.499 10 0 BCAERO CCc1nnc(CC2=C[C@@H]([NH3+])CNC2)s1 ZINC000675077892 538515019 /nfs/dbraw/zinc/51/50/19/538515019.db2.gz JVTPJKKGSOTVKZ-MRVPVSSYSA-N 1 0 224.333 0.500 10 0 BCAERO Cc1cc(CC2=C[C@@H](N)C[NH2+]C2)nn1C ZINC000675078098 538515336 /nfs/dbraw/zinc/51/53/36/538515336.db2.gz MJTHZXPHMVSXCH-SNVBAGLBSA-N 1 0 206.293 0.128 10 0 BCAERO N[C@@H]1C=C(Cc2cccc(O)c2)C[NH2+]C1 ZINC000675077967 538515489 /nfs/dbraw/zinc/51/54/89/538515489.db2.gz LFCHDSNEYJXNSH-LLVKDONJSA-N 1 0 204.273 0.792 10 0 BCAERO Cc1cn(C)nc1CC1=C[C@H](N)C[NH2+]C1 ZINC000675078836 538515889 /nfs/dbraw/zinc/51/58/89/538515889.db2.gz UQUDPNHSEOGJQO-JTQLQIEISA-N 1 0 206.293 0.128 10 0 BCAERO CCCn1ncnc1C1=C[C@H]([NH3+])CNC1 ZINC000675079026 538517205 /nfs/dbraw/zinc/51/72/05/538517205.db2.gz UZYLBDSUKHKRMG-VIFPVBQESA-N 1 0 207.281 0.002 10 0 BCAERO COCCn1cc(-c2cnn3c2C[NH2+]CC3)cn1 ZINC000675076940 538512004 /nfs/dbraw/zinc/51/20/04/538512004.db2.gz UVPGAMQTYAOKAA-UHFFFAOYSA-N 1 0 247.302 0.496 10 0 BCAERO COc1cccnc1C1=C[C@@H]([NH3+])CNC1 ZINC000675077508 538512025 /nfs/dbraw/zinc/51/20/25/538512025.db2.gz FSYNNHWSGIBCCA-SECBINFHSA-N 1 0 205.261 0.404 10 0 BCAERO Cn1ccnc1-c1cnn2c1C[NH2+]CC2 ZINC000675076840 538512433 /nfs/dbraw/zinc/51/24/33/538512433.db2.gz SDGYDLUSULHGKB-UHFFFAOYSA-N 1 0 203.249 0.387 10 0 BCAERO [NH3+][C@@H](C1CC1)[C@@H]1CCCCS1(=O)=O ZINC000129768081 356699820 /nfs/dbraw/zinc/69/98/20/356699820.db2.gz IOYXEHOYWGMPSI-IUCAKERBSA-N 1 0 203.307 0.691 10 0 BCAERO CSCC[C@H](O)[C@@]1(C[NH3+])CCOC1 ZINC000085919225 538548829 /nfs/dbraw/zinc/54/88/29/538548829.db2.gz VOSNOLDUHQRURD-DTWKUNHWSA-N 1 0 205.323 0.466 10 0 BCAERO Cc1cnn([C@H]2CC[C@@]([NH3+])(C(N)=O)C2)c1 ZINC000086626908 538557923 /nfs/dbraw/zinc/55/79/23/538557923.db2.gz BBAKJDNVQPMVCY-WPRPVWTQSA-N 1 0 208.265 0.099 10 0 BCAERO CCCS(=O)(=O)NC[C@@H]1CC[NH2+]C[C@@H]1C ZINC000129823417 538576991 /nfs/dbraw/zinc/57/69/91/538576991.db2.gz WNANQHNAFWZEJK-UWVGGRQHSA-N 1 0 234.365 0.561 10 0 BCAERO C[C@H]1COC[C@@H](CC(=O)C(F)(F)F)[NH2+]1 ZINC000130344485 538588269 /nfs/dbraw/zinc/58/82/69/538588269.db2.gz QGOVQIDFQJCVIX-NTSWFWBYSA-N 1 0 211.183 0.885 10 0 BCAERO CCOC(=O)C(=O)C[C@@H]1C[C@H](C)CC[NH2+]1 ZINC000130311228 538590466 /nfs/dbraw/zinc/59/04/66/538590466.db2.gz LLBFGIQQTDUCMB-BDAKNGLRSA-N 1 0 213.277 0.897 10 0 BCAERO CC(C)(C)NC(=O)N1CCN(C2C[NH2+]C2)CC1 ZINC000090307180 538591535 /nfs/dbraw/zinc/59/15/35/538591535.db2.gz WUYUKAWPKUVLNB-UHFFFAOYSA-N 1 0 240.351 0.084 10 0 BCAERO CCCCNC(=O)N1CC(N2CC[NH2+]CC2)C1 ZINC000090308976 538592542 /nfs/dbraw/zinc/59/25/42/538592542.db2.gz BSMVVOJDGCSMDY-UHFFFAOYSA-N 1 0 240.351 0.086 10 0 BCAERO CC[C@H](C[NH3+])C1(O)CN(C(=O)OC(C)(C)C)C1 ZINC000091925225 538597345 /nfs/dbraw/zinc/59/73/45/538597345.db2.gz NNAJDKSQLJMGNP-SECBINFHSA-N 1 0 244.335 0.953 10 0 BCAERO Cc1cc(C[NH2+][C@@H]2CCCNC2=O)ccn1 ZINC000623386395 356913269 /nfs/dbraw/zinc/91/32/69/356913269.db2.gz UKQCZXZMLFBFIS-LLVKDONJSA-N 1 0 219.288 0.758 10 0 BCAERO CCCCOC[C@@H](O)C[N@H+](C)CCO ZINC000193247764 356897457 /nfs/dbraw/zinc/89/74/57/356897457.db2.gz SGCMAPAPDPCMMW-JTQLQIEISA-N 1 0 205.298 0.088 10 0 BCAERO CCOCC(=O)N[C@@H]1CC[N@H+](CC)C1 ZINC000389529453 356963766 /nfs/dbraw/zinc/96/37/66/356963766.db2.gz IEGFDUXFOLVVDK-SECBINFHSA-N 1 0 200.282 0.233 10 0 BCAERO CCOCC(=O)N[C@H]1CC[N@H+](CC)C1 ZINC000389529454 356964012 /nfs/dbraw/zinc/96/40/12/356964012.db2.gz IEGFDUXFOLVVDK-VIFPVBQESA-N 1 0 200.282 0.233 10 0 BCAERO C[NH2+][C@@H](C1CC1)[C@H]1CCCCS1(=O)=O ZINC000129803705 356966777 /nfs/dbraw/zinc/96/67/77/356966777.db2.gz XGNCWCNPQPYZPX-ZJUUUORDSA-N 1 0 217.334 0.952 10 0 BCAERO C[NH2+][C@H](C1CC1)[C@@H]1CCCCS1(=O)=O ZINC000129803496 356966788 /nfs/dbraw/zinc/96/67/88/356966788.db2.gz XGNCWCNPQPYZPX-VHSXEESVSA-N 1 0 217.334 0.952 10 0 BCAERO CNC(=[NH2+])NC[C@@H]1CSCCS1 ZINC000129856580 356994448 /nfs/dbraw/zinc/99/44/48/356994448.db2.gz IKGDNMRZXJVNLC-ZCFIWIBFSA-N 1 0 205.352 0.579 10 0 BCAERO N#Cc1cnc(N2C[C@@H]3CCC[C@]3(C[NH3+])C2)cn1 ZINC000385261557 357043608 /nfs/dbraw/zinc/04/36/08/357043608.db2.gz AHRIQGYZZLRRBA-GWCFXTLKSA-N 1 0 243.314 0.913 10 0 BCAERO C[C@H]1C[NH2+]CC[C@H]1NC(=O)[C@H]1CCCO1 ZINC000389853958 357055133 /nfs/dbraw/zinc/05/51/33/357055133.db2.gz YIBSHWHRYSJJAS-IVZWLZJFSA-N 1 0 212.293 0.280 10 0 BCAERO COC[C@H](C)C[NH2+][C@H]1CCC(=O)N[C@@H]1C ZINC000389942413 357070393 /nfs/dbraw/zinc/07/03/93/357070393.db2.gz PEHJRDSDYBPLJP-BBBLOLIVSA-N 1 0 214.309 0.526 10 0 BCAERO CCC[NH2+][C@@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000389987749 357078339 /nfs/dbraw/zinc/07/83/39/357078339.db2.gz MXYGOKFTFGSXEL-NXEZZACHSA-N 1 0 234.365 0.846 10 0 BCAERO CN1CCC([N@H+](C)C[C@H]2C[C@@H]2C(=O)[O-])CC1 ZINC000258857480 538800133 /nfs/dbraw/zinc/80/01/33/538800133.db2.gz JPELJQRTCZZRFV-KOLCDFICSA-N 1 0 226.320 0.733 10 0 BCAERO CCCS(=O)(=O)N1CCC[C@]1(C)C[NH3+] ZINC000259056503 538806640 /nfs/dbraw/zinc/80/66/40/538806640.db2.gz HFIGXNRJINPASJ-SECBINFHSA-N 1 0 220.338 0.539 10 0 BCAERO CCN1C[C@@H]([NH2+][C@@H]2CCCC[C@H]2O)CC1=O ZINC000391564575 357129896 /nfs/dbraw/zinc/12/98/96/357129896.db2.gz OOWPCLPTPFGTBS-HBNTYKKESA-N 1 0 226.320 0.500 10 0 BCAERO CO[C@H]1C[NH2+][C@@H](C(=O)c2cnccn2)C1 ZINC000168710030 357192590 /nfs/dbraw/zinc/19/25/90/357192590.db2.gz SITLYQZUVQFZRT-HTQZYQBOSA-N 1 0 207.233 0.036 10 0 BCAERO C[NH2+][C@H](C)C(=O)NCc1ccc(=O)[nH]c1 ZINC000392734597 357192623 /nfs/dbraw/zinc/19/26/23/357192623.db2.gz YFXGQQSOCVUSOE-SSDOTTSWSA-N 1 0 209.249 0.011 10 0 BCAERO CC(C)[C@H]([NH3+])[C@@H]1CCCCS1(=O)=O ZINC000168734595 357202374 /nfs/dbraw/zinc/20/23/74/357202374.db2.gz VSYYTPWFETUYOM-IUCAKERBSA-N 1 0 205.323 0.937 10 0 BCAERO COCCCC(=O)N1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC000404011928 357212996 /nfs/dbraw/zinc/21/29/96/357212996.db2.gz QCKFMVDERLGCLL-QWRGUYRKSA-N 1 0 242.319 0.002 10 0 BCAERO C[C@H](O)CC(C)(C)CNC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000393601464 357288825 /nfs/dbraw/zinc/28/88/25/357288825.db2.gz TZHPFHXSTJHYEV-OUAUKWLOSA-N 1 0 242.363 0.755 10 0 BCAERO C[NH2+][C@H](C)C(=O)NCc1sc(C)nc1C ZINC000393609353 357289561 /nfs/dbraw/zinc/28/95/61/357289561.db2.gz SEKHVAUTDLAGFA-SSDOTTSWSA-N 1 0 227.333 0.984 10 0 BCAERO C[C@H](NC(=O)C(C)(C)[NH3+])[C@@H]1CCOC1 ZINC000160715038 357295563 /nfs/dbraw/zinc/29/55/63/357295563.db2.gz RYRSEDVBUZAHGI-JGVFFNPUSA-N 1 0 200.282 0.265 10 0 BCAERO NC(=O)c1cc(N[C@@H]2CCCC[C@@H]2[NH3+])ccn1 ZINC000038050790 181290697 /nfs/dbraw/zinc/29/06/97/181290697.db2.gz UJOLCKNVGOZMKC-VHSXEESVSA-N 1 0 234.303 0.862 10 0 BCAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000392901076 357263224 /nfs/dbraw/zinc/26/32/24/357263224.db2.gz SNFGYNCMSLAROA-NAKRPEOUSA-N 1 0 225.336 0.513 10 0 BCAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000392901075 357263794 /nfs/dbraw/zinc/26/37/94/357263794.db2.gz SNFGYNCMSLAROA-MMWGEVLESA-N 1 0 225.336 0.513 10 0 BCAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]CCCC(=O)N(C)C ZINC000393038978 357265851 /nfs/dbraw/zinc/26/58/51/357265851.db2.gz ZBEAXVLNRCLGJD-UWVGGRQHSA-N 1 0 241.335 0.112 10 0 BCAERO CC1CC(C(=O)NC[C@H]2C[NH2+]CCO2)C1 ZINC000582780186 357389717 /nfs/dbraw/zinc/38/97/17/357389717.db2.gz GWNACOAUHLTXMF-UDNWOFFPSA-N 1 0 212.293 0.137 10 0 BCAERO CC1CC(C(=O)NC[C@@H]2C[NH2+]CCO2)C1 ZINC000582780185 357390165 /nfs/dbraw/zinc/39/01/65/357390165.db2.gz GWNACOAUHLTXMF-RTBKNWGFSA-N 1 0 212.293 0.137 10 0 BCAERO NC(=O)c1cc(NCC[C@H]2CCC[NH2+]C2)ccn1 ZINC000110793706 181291224 /nfs/dbraw/zinc/29/12/24/181291224.db2.gz ZMOXXEDHTGKJKS-SNVBAGLBSA-N 1 0 248.330 0.982 10 0 BCAERO C[C@H]1[C@@H](O)CCC[N@@H+]1CCCC(=O)N(C)C ZINC000395124961 357413910 /nfs/dbraw/zinc/41/39/10/357413910.db2.gz ZUPOZYSONGKLEH-QWRGUYRKSA-N 1 0 228.336 0.700 10 0 BCAERO C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@H]2CCCO)C1 ZINC000395297541 357422946 /nfs/dbraw/zinc/42/29/46/357422946.db2.gz INBPFOJSAIIDFS-NEPJUHHUSA-N 1 0 240.347 0.702 10 0 BCAERO C[C@@]1(C(=O)N2CCc3n[nH]nc3C2)CCCC[NH2+]1 ZINC000396891789 357486653 /nfs/dbraw/zinc/48/66/53/357486653.db2.gz VXTLQQIZPQQUIW-LBPRGKRZSA-N 1 0 249.318 0.222 10 0 BCAERO O=C(CC1CC1)N[C@@H]1CC[NH2+]C[C@@H]1F ZINC000685945834 538886785 /nfs/dbraw/zinc/88/67/85/538886785.db2.gz CCGOLWKCVHXYLB-DTWKUNHWSA-N 1 0 200.257 0.603 10 0 BCAERO CCCCNC(=O)N1CC[C@@H]([NH3+])[C@@H](F)C1 ZINC000685946706 538887381 /nfs/dbraw/zinc/88/73/81/538887381.db2.gz UWAMDQPTMZAFLU-DTWKUNHWSA-N 1 0 217.288 0.867 10 0 BCAERO CC(C)NC(=O)N[C@H]1CC[NH2+]C[C@@H]1F ZINC000685945905 538887528 /nfs/dbraw/zinc/88/75/28/538887528.db2.gz FPMKFQUPEKTHAC-YUMQZZPRSA-N 1 0 203.261 0.394 10 0 BCAERO CCCS(=O)(=O)N1CCC[C@]([NH3+])(CC)C1 ZINC000685946458 538887900 /nfs/dbraw/zinc/88/79/00/538887900.db2.gz AGLYZONGSSXUPB-SNVBAGLBSA-N 1 0 234.365 0.930 10 0 BCAERO CCCS(=O)(=O)N1CCC[C@@]([NH3+])(CC)C1 ZINC000685946457 538888162 /nfs/dbraw/zinc/88/81/62/538888162.db2.gz AGLYZONGSSXUPB-JTQLQIEISA-N 1 0 234.365 0.930 10 0 BCAERO O=C(N[C@H]1CC[NH2+]C[C@@H]1F)C1CCC1 ZINC000685947074 538888830 /nfs/dbraw/zinc/88/88/30/538888830.db2.gz ZXYWWIGCJKDWQF-IUCAKERBSA-N 1 0 200.257 0.603 10 0 BCAERO CC[C@@]1(NC(=O)NCCOC)CCC[NH2+]C1 ZINC000685947252 538888883 /nfs/dbraw/zinc/88/88/83/538888883.db2.gz KZUFONJTTUWKCF-LLVKDONJSA-N 1 0 229.324 0.464 10 0 BCAERO C[N@H+](CCO)[C@H]1CC(=O)N[C@H](C(F)(F)F)C1 ZINC000685947186 538888896 /nfs/dbraw/zinc/88/88/96/538888896.db2.gz SPJSKXDVBFFEQG-RQJHMYQMSA-N 1 0 240.225 0.120 10 0 BCAERO CCS(=O)(=O)NC1(C)CCC([NH3+])CC1 ZINC000685947246 538888938 /nfs/dbraw/zinc/88/89/38/538888938.db2.gz ICCCUVLDFPRJJM-UHFFFAOYSA-N 1 0 220.338 0.586 10 0 BCAERO CC1(NS(=O)(=O)C2CC2)CCC([NH3+])CC1 ZINC000685947765 538889458 /nfs/dbraw/zinc/88/94/58/538889458.db2.gz PMPIXJXVPJEIHX-UHFFFAOYSA-N 1 0 232.349 0.728 10 0 BCAERO COCCNC(=O)N1CCCC2(C[NH2+]C2)C1 ZINC000685947911 538889471 /nfs/dbraw/zinc/88/94/71/538889471.db2.gz TZUDRCLQHPZZSG-UHFFFAOYSA-N 1 0 227.308 0.028 10 0 BCAERO NC(=O)C[C@H](C[NH3+])c1ccc2c(c1)CCO2 ZINC000685948309 538890135 /nfs/dbraw/zinc/89/01/35/538890135.db2.gz HAALBGLVXVFJHF-SNVBAGLBSA-N 1 0 220.272 0.539 10 0 BCAERO CCCS(=O)(=O)N[C@@]1(CC)CCC[NH2+]C1 ZINC000685948083 538890621 /nfs/dbraw/zinc/89/06/21/538890621.db2.gz WUVRLKGPMDPBGC-JTQLQIEISA-N 1 0 234.365 0.848 10 0 BCAERO COCC(=O)N1CC[C@@]2([NH3+])CCCC[C@@H]12 ZINC000685948599 538890971 /nfs/dbraw/zinc/89/09/71/538890971.db2.gz CHRCVZGLFRIPMQ-KOLCDFICSA-N 1 0 212.293 0.505 10 0 BCAERO CS(=O)(=O)N[C@]12CC[NH2+][C@H]1CCCC2 ZINC000685949019 538891931 /nfs/dbraw/zinc/89/19/31/538891931.db2.gz INEPUQHMTQVOIR-DTWKUNHWSA-N 1 0 218.322 0.210 10 0 BCAERO COCCC(=O)N[C@]12CC[NH2+][C@H]1CCCC2 ZINC000685949527 538892380 /nfs/dbraw/zinc/89/23/80/538892380.db2.gz SUCBQTOCNKUNIT-CMPLNLGQSA-N 1 0 226.320 0.814 10 0 BCAERO CC(C)c1nnc2n1C[C@@H](C[NH+](C)C)NC2 ZINC000685949464 538892416 /nfs/dbraw/zinc/89/24/16/538892416.db2.gz SHXKVQWOARECIT-SECBINFHSA-N 1 0 223.324 0.435 10 0 BCAERO C[C@H]1C[NH2+]C[C@H](C)C1[N@@H+]1CCC[C@H]1C(=O)[O-] ZINC000685951157 538894659 /nfs/dbraw/zinc/89/46/59/538894659.db2.gz OETRIEWELGBHMW-GUBZILKMSA-N 1 0 226.320 0.779 10 0 BCAERO C[C@@H]1CN(C2[C@@H](C)C[NH2+]C[C@@H]2C)CCO1 ZINC000685951179 538894846 /nfs/dbraw/zinc/89/48/46/538894846.db2.gz OXWBRGWVLZQSIS-GARJFASQSA-N 1 0 212.337 0.951 10 0 BCAERO C[C@H]1C[NH2+]C[C@H](C)C1[N@@H+]1CCC[C@@H]1C(=O)[O-] ZINC000685951159 538894860 /nfs/dbraw/zinc/89/48/60/538894860.db2.gz OETRIEWELGBHMW-LPEHRKFASA-N 1 0 226.320 0.779 10 0 BCAERO Cc1cnc(-c2cnnn2C2C[NH2+]C2)nc1 ZINC000685951680 538895045 /nfs/dbraw/zinc/89/50/45/538895045.db2.gz FMTYZRJANMTJAH-UHFFFAOYSA-N 1 0 216.248 0.188 10 0 BCAERO Cn1cncc1-c1cnnn1[C@@H]1CC[NH2+]C1 ZINC000685951551 538895093 /nfs/dbraw/zinc/89/50/93/538895093.db2.gz BDOXFDOPDVXHLU-MRVPVSSYSA-N 1 0 218.264 0.213 10 0 BCAERO CCN(CC)C(=O)CN1CCCNC(=O)[C@H]1C ZINC000189332756 357632699 /nfs/dbraw/zinc/63/26/99/357632699.db2.gz DOXVVSWPMKTMHT-SNVBAGLBSA-N 1 0 241.335 0.065 10 0 BCAERO NC(=O)c1cc(OCC[NH+]2CCCC2)ccc1N ZINC000041081662 181292445 /nfs/dbraw/zinc/29/24/45/181292445.db2.gz WRXQCZBCDWWWGD-UHFFFAOYSA-N 1 0 249.314 0.842 10 0 BCAERO C[C@@H]1OCCC[C@H]1C(=O)NCC[NH+](C)C ZINC000190330910 357701339 /nfs/dbraw/zinc/70/13/39/357701339.db2.gz ICLGGZDUKLFXIO-VHSXEESVSA-N 1 0 214.309 0.479 10 0 BCAERO CC[C@@H](C)CC(=O)NC[C@H]1CN(C)CCO1 ZINC000190746997 357730037 /nfs/dbraw/zinc/73/00/37/357730037.db2.gz IHJIAYLIZMNJDS-MNOVXSKESA-N 1 0 228.336 0.869 10 0 BCAERO CC(C)N(C)C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000190744920 357730335 /nfs/dbraw/zinc/73/03/35/357730335.db2.gz ZVSGWJYLXKUKLT-LLVKDONJSA-N 1 0 243.351 0.709 10 0 BCAERO CC[NH+](CC)CCCN1C[C@@H](O)C[C@@H]1CO ZINC000191818025 357799549 /nfs/dbraw/zinc/79/95/49/357799549.db2.gz NMVZETIWNXDTLA-NEPJUHHUSA-N 1 0 230.352 0.146 10 0 BCAERO Cc1cc(CNC(=O)[C@H]2CC[C@@H]([NH3+])C2)on1 ZINC000085012432 134221084 /nfs/dbraw/zinc/22/10/84/134221084.db2.gz WWLOHQOILNBAHJ-DTWKUNHWSA-N 1 0 223.276 0.727 10 0 BCAERO C[C@@H](O)CCNC(=O)[C@H]1[NH2+]CCCC1(C)C ZINC000235242602 357858215 /nfs/dbraw/zinc/85/82/15/357858215.db2.gz UOCCKJTWIFWURU-NXEZZACHSA-N 1 0 228.336 0.652 10 0 BCAERO C[C@@H]1CN(C(=O)CCn2cccn2)C[C@H]1[NH3+] ZINC000235328072 357865765 /nfs/dbraw/zinc/86/57/65/357865765.db2.gz AYYZNEAINYUOTD-NXEZZACHSA-N 1 0 222.292 0.079 10 0 BCAERO COc1cc(N2CC[C@H]([C@@H](C)[NH3+])C2)ncn1 ZINC000168574070 134227051 /nfs/dbraw/zinc/22/70/51/134227051.db2.gz SQBRECFSDOUAJG-BDAKNGLRSA-N 1 0 222.292 0.659 10 0 BCAERO OCC1(C[N@@H+]2C[C@@H]3CC[C@H](O)C[C@H]3C2)COC1 ZINC000398769336 357882202 /nfs/dbraw/zinc/88/22/02/357882202.db2.gz GGPYYCOFMSSCPY-SRVKXCTJSA-N 1 0 241.331 0.088 10 0 BCAERO C[C@@H](O)C[C@@H](C)CNC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000398621186 357888247 /nfs/dbraw/zinc/88/82/47/357888247.db2.gz GQQCAFOUBFSROL-GWOFURMSSA-N 1 0 228.336 0.365 10 0 BCAERO C[C@H](O)C[C@H](C)CNC(=O)C[C@H]1CCC[NH2+]C1 ZINC000398637163 357888635 /nfs/dbraw/zinc/88/86/35/357888635.db2.gz RCQCZJCBUSEVCC-SDDRHHMPSA-N 1 0 242.363 0.899 10 0 BCAERO C[C@@H](CNC(=O)C[C@H]1CCC[NH2+]C1)C[C@H](C)O ZINC000398637161 357888690 /nfs/dbraw/zinc/88/86/90/357888690.db2.gz RCQCZJCBUSEVCC-GRYCIOLGSA-N 1 0 242.363 0.899 10 0 BCAERO CNC(=O)CCC[N@@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000398650113 357889005 /nfs/dbraw/zinc/88/90/05/357889005.db2.gz AWPFHBZOIMYTEL-SRVKXCTJSA-N 1 0 240.347 0.605 10 0 BCAERO Cc1cc(C)n(CC(=O)N2C[C@H](C)[C@H]([NH3+])C2)n1 ZINC000235628922 357926191 /nfs/dbraw/zinc/92/61/91/357926191.db2.gz MBQSMUNBQVAHPJ-GZMMTYOYSA-N 1 0 236.319 0.306 10 0 BCAERO Cc1ncccc1C(=O)N1C[C@H]([NH3+])[C@@H](C)C1 ZINC000235669003 357927119 /nfs/dbraw/zinc/92/71/19/357927119.db2.gz OYVGWASGNSVPLU-KWQFWETISA-N 1 0 219.288 0.809 10 0 BCAERO Cc1noc(C)c1CC(=O)N1C[C@H]([NH3+])[C@@H](C)C1 ZINC000235667376 357927373 /nfs/dbraw/zinc/92/73/73/357927373.db2.gz ARLLAMZXQQMXIF-CPCISQLKSA-N 1 0 237.303 0.640 10 0 BCAERO C[C@H](O)CCC[N@@H+]1CC[C@@H](O)C[C@H]1C ZINC000639939159 357946334 /nfs/dbraw/zinc/94/63/34/357946334.db2.gz WPYJFZNDAWARAR-OUAUKWLOSA-N 1 0 201.310 0.993 10 0 BCAERO COC[C@H](C[N@@H+]1CC[C@@H](O)C[C@H]1C)OC ZINC000639939139 357946758 /nfs/dbraw/zinc/94/67/58/357946758.db2.gz VZTUUPJIGLYRDX-MXWKQRLJSA-N 1 0 217.309 0.493 10 0 BCAERO CC(C)NC(=O)C[N@@H+]1CC[C@@H](O)C[C@H]1C ZINC000639942743 357958807 /nfs/dbraw/zinc/95/88/07/357958807.db2.gz XKKGMEQEDKNOAZ-NXEZZACHSA-N 1 0 214.309 0.356 10 0 BCAERO CC[C@@H](O)CCNC(=O)C[C@H]1CCC[NH2+]C1 ZINC000218834666 357967806 /nfs/dbraw/zinc/96/78/06/357967806.db2.gz NTGFIPIVUPJGSH-GHMZBOCLSA-N 1 0 228.336 0.653 10 0 BCAERO CC(C)S(=O)(=O)N1CC[C@@H]([NH3+])C[C@H]1C ZINC000168903332 357998266 /nfs/dbraw/zinc/99/82/66/357998266.db2.gz ZDSLRUWQPNJZNO-RKDXNWHRSA-N 1 0 220.338 0.536 10 0 BCAERO CN(C)c1ccc(C(=O)NCCC[NH3+])cc1 ZINC000036906701 358055378 /nfs/dbraw/zinc/05/53/78/358055378.db2.gz PIFHNPXKGZMMIG-UHFFFAOYSA-N 1 0 221.304 0.831 10 0 BCAERO CN(CCC[NH3+])c1ccc(S(C)(=O)=O)cc1 ZINC000037673610 358091986 /nfs/dbraw/zinc/09/19/86/358091986.db2.gz VLTAZHLRKPRDOS-UHFFFAOYSA-N 1 0 242.344 0.875 10 0 BCAERO NC(=O)c1ccc(C[N@@H+]2CC[C@H](O)C2)c(F)c1 ZINC000061707963 181295123 /nfs/dbraw/zinc/29/51/23/181295123.db2.gz CCMFBIPKFYCEOJ-JTQLQIEISA-N 1 0 238.262 0.491 10 0 BCAERO CCCCNC(=O)CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171643309 134257419 /nfs/dbraw/zinc/25/74/19/134257419.db2.gz DNNDTZCILSMDBA-GFCCVEGCSA-N 1 0 239.363 0.683 10 0 BCAERO C[C@@H](C(=O)N(C)C)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171641979 134257663 /nfs/dbraw/zinc/25/76/63/134257663.db2.gz SYQFRBMFWZVOKE-WDEREUQCSA-N 1 0 225.336 0.243 10 0 BCAERO CCOC(=O)[C@H]1CCCN(C(=O)[C@@H](C)[NH2+]C)C1 ZINC000052395880 358168503 /nfs/dbraw/zinc/16/85/03/358168503.db2.gz TWFMJQDXTZBLSX-ZJUUUORDSA-N 1 0 242.319 0.396 10 0 BCAERO CC(C)C[C@@H](C)NC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000222534537 358188889 /nfs/dbraw/zinc/18/88/89/358188889.db2.gz NHMYSZZTSKKTNY-OPRDCNLKSA-N 1 0 214.309 0.260 10 0 BCAERO COC(C)(C)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171605706 134259530 /nfs/dbraw/zinc/25/95/30/134259530.db2.gz HXXQPXGEWZKELB-JTQLQIEISA-N 1 0 226.320 0.718 10 0 BCAERO O=C(NC1C[NH2+]C1)c1cc2c(s1)CCC2 ZINC000085255822 134262580 /nfs/dbraw/zinc/26/25/80/134262580.db2.gz PDSKNEGXNPRRNA-UHFFFAOYSA-N 1 0 222.313 0.938 10 0 BCAERO O=C(NC1C[NH2+]C1)c1cc(F)c(F)c(F)c1 ZINC000085255559 134261301 /nfs/dbraw/zinc/26/13/01/134261301.db2.gz SZWVUAZTELPVQX-UHFFFAOYSA-N 1 0 230.189 0.806 10 0 BCAERO CO[C@H](C)CNC(=O)[C@H]1CCC[NH2+]C1 ZINC000223716623 358230706 /nfs/dbraw/zinc/23/07/06/358230706.db2.gz RFNVVHDZPRHIMP-BDAKNGLRSA-N 1 0 200.282 0.137 10 0 BCAERO C[NH2+][C@H](C)C(=O)N[C@@H](C)C1CCOCC1 ZINC000224058118 358230867 /nfs/dbraw/zinc/23/08/67/358230867.db2.gz FNRZGUIJSUAKBR-DTWKUNHWSA-N 1 0 214.309 0.526 10 0 BCAERO COC[C@@H]([NH3+])C(=O)NCC[C@H]1CCCCO1 ZINC000224083874 358231348 /nfs/dbraw/zinc/23/13/48/358231348.db2.gz XUFKHUSVZYKVOD-NXEZZACHSA-N 1 0 230.308 0.036 10 0 BCAERO O=C(CNc1ccc(F)cn1)N1CC[NH2+]CC1 ZINC000041075097 358242188 /nfs/dbraw/zinc/24/21/88/358242188.db2.gz VDVNJKDJNKIABQ-UHFFFAOYSA-N 1 0 238.266 0.064 10 0 BCAERO CC(C)C[C@@H](CO)[NH2+]C[C@H](O)COC(C)C ZINC000040777086 358245775 /nfs/dbraw/zinc/24/57/75/358245775.db2.gz BLOJBAHBJMAXIT-RYUDHWBXSA-N 1 0 233.352 0.769 10 0 BCAERO COc1ccccc1/C=[N+]1/CCC(=O)N1 ZINC000584611179 358275241 /nfs/dbraw/zinc/27/52/41/358275241.db2.gz SVKGWIVFWJABBY-JYRVWZFOSA-O 1 0 205.237 0.562 10 0 BCAERO CN(C(=O)CC[C@H]1CCCO1)C1C[NH2+]C1 ZINC000085257527 134267335 /nfs/dbraw/zinc/26/73/35/134267335.db2.gz SHAQFYDTSJSUTF-SNVBAGLBSA-N 1 0 212.293 0.376 10 0 BCAERO [NH3+]CCCNc1ccc(Br)c[n+]1[O-] ZINC000584621489 358288341 /nfs/dbraw/zinc/28/83/41/358288341.db2.gz ORXVMUBJRITESR-UHFFFAOYSA-N 1 0 246.108 0.843 10 0 BCAERO O=Cc1cccc(C(=O)[C@H]2[NH2+]CC[C@H]2O)c1 ZINC000584630062 358299725 /nfs/dbraw/zinc/29/97/25/358299725.db2.gz YXPGYHJSAHADRF-MNOVXSKESA-N 1 0 219.240 0.405 10 0 BCAERO [NH3+][C@H]1C[C@H](n2c(=O)oc3cccnc32)C1 ZINC000584630730 358301375 /nfs/dbraw/zinc/30/13/75/358301375.db2.gz BAHSKQWWQAPPNW-LJGSYFOKSA-N 1 0 205.217 0.652 10 0 BCAERO COC1=CC(=O)N(C2CC[NH2+]CC2)CC1 ZINC000584636180 358320691 /nfs/dbraw/zinc/32/06/91/358320691.db2.gz NFNPDISTZCOMNW-UHFFFAOYSA-N 1 0 210.277 0.501 10 0 BCAERO O=C(N[C@@H]1c2ccccc2C[C@@H]1O)[C@H]1CC[NH2+]C1 ZINC000227329714 358354211 /nfs/dbraw/zinc/35/42/11/358354211.db2.gz DDNDZBQSJVTGKO-WCFLWFBJSA-N 1 0 246.310 0.370 10 0 BCAERO C[C@H]([NH3+])CCNC(=O)[C@H]1[C@@H](C)[C@H](C)O[C@H]1C ZINC000252681222 366419653 /nfs/dbraw/zinc/41/96/53/366419653.db2.gz GWZLJHZZQSFKMX-QHZLYTNSSA-N 1 0 228.336 0.899 10 0 BCAERO CCCNS(=O)(=O)N(C)[C@@H]1CCC[NH2+]CC1 ZINC000226463546 358339947 /nfs/dbraw/zinc/33/99/47/358339947.db2.gz CSMIPQPJUWUBCX-SNVBAGLBSA-N 1 0 249.380 0.305 10 0 BCAERO COC(=O)CN(C)[C@@H]1CCC[NH2+]CC1 ZINC000226466679 358340198 /nfs/dbraw/zinc/34/01/98/358340198.db2.gz MSIGEKPEQGKHHN-SECBINFHSA-N 1 0 200.282 0.233 10 0 BCAERO CN1CCN(c2nc3ccccc3[nH]2)[C@@H](C[NH3+])C1 ZINC000226622400 358341912 /nfs/dbraw/zinc/34/19/12/358341912.db2.gz PJQJTKRAGACAJB-JTQLQIEISA-N 1 0 245.330 0.642 10 0 BCAERO [NH3+][C@H](Cc1ccccc1)C(=O)Nc1cc[nH]n1 ZINC000042414776 358348290 /nfs/dbraw/zinc/34/82/90/358348290.db2.gz FFKSOQDAPXVWON-SNVBAGLBSA-N 1 0 230.271 0.918 10 0 BCAERO C[NH2+][C@H](C)C(=O)NC[C@@H](O)CC(C)(C)C ZINC000226113464 358334393 /nfs/dbraw/zinc/33/43/93/358334393.db2.gz PAZXEMCOXNSSJC-BDAKNGLRSA-N 1 0 216.325 0.508 10 0 BCAERO [NH3+][C@@H]1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2O)C1 ZINC000227327448 358354026 /nfs/dbraw/zinc/35/40/26/358354026.db2.gz SPPIMLKNKHGWLF-LNFKQOIKSA-N 1 0 226.320 0.534 10 0 BCAERO C[C@]1(C(=O)N[C@@H]2CCSC2)CCC[NH2+]1 ZINC000227428892 358356929 /nfs/dbraw/zinc/35/69/29/358356929.db2.gz UWDONCRXABEEOT-PSASIEDQSA-N 1 0 214.334 0.750 10 0 BCAERO COC[C@H](NC(=O)[C@@H]1CC[C@@H]([NH3+])C1)C(C)C ZINC000227807250 358363717 /nfs/dbraw/zinc/36/37/17/358363717.db2.gz KEYSCMURAHTZNK-MXWKQRLJSA-N 1 0 228.336 0.901 10 0 BCAERO CCCCOC[C@@H](O)C[NH2+]Cc1cccnn1 ZINC000227897850 358365938 /nfs/dbraw/zinc/36/59/38/358365938.db2.gz ZVTBDBJCGZNJQV-LBPRGKRZSA-N 1 0 239.319 0.744 10 0 BCAERO CCCCOC[C@H](O)C[NH2+][C@@H]1C[C@@H](O)C1(C)C ZINC000227897446 358365955 /nfs/dbraw/zinc/36/59/55/358365955.db2.gz NLOADHSHCNFOSA-IJLUTSLNSA-N 1 0 245.363 0.913 10 0 BCAERO [NH3+][C@@H](C(=O)N1CCCC1)[C@@H](O)c1ccncc1 ZINC000043131925 358367718 /nfs/dbraw/zinc/36/77/18/358367718.db2.gz GRZMKKUGHIECFK-MNOVXSKESA-N 1 0 235.287 0.065 10 0 BCAERO C[C@H](NC(=O)C[C@H]1CCC[NH2+]C1)c1cn[nH]c1 ZINC000229702015 358406816 /nfs/dbraw/zinc/40/68/16/358406816.db2.gz KHPAXLXHELOXEE-VHSXEESVSA-N 1 0 236.319 0.977 10 0 BCAERO CCO[C@@H]1C[C@@H]1C(=O)N1CC[NH2+][C@@H](C)[C@@H]1C ZINC000262735327 535425190 /nfs/dbraw/zinc/42/51/90/535425190.db2.gz CJPFGPZRPVPLKK-XWLWVQCSSA-N 1 0 226.320 0.620 10 0 BCAERO CCN1CCO[C@H](C[NH2+][C@@H]2CCOC[C@@H]2C)C1 ZINC000302028942 491133154 /nfs/dbraw/zinc/13/31/54/491133154.db2.gz HIHNJVNAPPPPHU-YNEHKIRRSA-N 1 0 242.363 0.722 10 0 BCAERO O=C(C[C@@H]1CCC[NH2+]C1)N[C@@H]1CCSC1 ZINC000231352389 358417104 /nfs/dbraw/zinc/41/71/04/358417104.db2.gz SMEZFORWSHYUSZ-VHSXEESVSA-N 1 0 228.361 0.998 10 0 BCAERO NC(=O)c1ccc(F)c2c1C[C@H]([NH3+])CO2 ZINC000036473103 181297794 /nfs/dbraw/zinc/29/77/94/181297794.db2.gz CQZHUEJNSOTLNG-YFKPBYRVSA-N 1 0 210.208 0.187 10 0 BCAERO CCS(=O)(=O)N1CCC[C@H](C)[C@H]1[NH3+] ZINC000300229555 358570345 /nfs/dbraw/zinc/57/03/45/358570345.db2.gz YADAHGIZLHPOIT-YUMQZZPRSA-N 1 0 206.311 0.353 10 0 BCAERO O=C(C1=CCCCO1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000174663021 134282770 /nfs/dbraw/zinc/28/27/70/134282770.db2.gz AUELUXDDIGCXOC-NSHDSACASA-N 1 0 236.315 0.987 10 0 BCAERO CN(C)c1nccc(N2CC[NH2+]C(C)(C)C2)n1 ZINC000212756491 358621131 /nfs/dbraw/zinc/62/11/31/358621131.db2.gz VKDKQQBPQADODI-UHFFFAOYSA-N 1 0 235.335 0.731 10 0 BCAERO CCN(CC)C(=O)CN1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261554608 535434359 /nfs/dbraw/zinc/43/43/59/535434359.db2.gz PBPWCUOTAYTCKS-NSHDSACASA-N 1 0 241.379 0.914 10 0 BCAERO C[C@@H]1[NH2+]CC[C@H]1C(=O)N=S(C)(C)=O ZINC000306149305 358759841 /nfs/dbraw/zinc/75/98/41/358759841.db2.gz DRYCCMRRTLNWMR-NKWVEPMBSA-N 1 0 204.295 0.239 10 0 BCAERO NC(=O)c1ccc(NC2CC([NH3+])C2)cc1 ZINC000036268748 181298942 /nfs/dbraw/zinc/29/89/42/181298942.db2.gz CTHQXWYCELVVKB-UHFFFAOYSA-N 1 0 205.261 0.687 10 0 BCAERO CN(C)C(=O)CN(C)C(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000136143321 358865164 /nfs/dbraw/zinc/86/51/64/358865164.db2.gz WFUAIRQMINTZLT-GFCCVEGCSA-N 1 0 241.335 0.065 10 0 BCAERO CC[C@H](C)[NH2+]C1CCN(CCO)CC1 ZINC000308587165 491137237 /nfs/dbraw/zinc/13/72/37/491137237.db2.gz ITKABOFFSNLBRC-JTQLQIEISA-N 1 0 200.326 0.831 10 0 BCAERO COc1ncc([C@H]2OCC[C@@H]2[NH3+])s1 ZINC000306177916 358988246 /nfs/dbraw/zinc/98/82/46/358988246.db2.gz XYQSHZKTFMCLNR-FSPLSTOPSA-N 1 0 200.263 0.940 10 0 BCAERO CC(C)[NH2+]C1(CO)COC(C)(C)OC1 ZINC000306180454 358991673 /nfs/dbraw/zinc/99/16/73/358991673.db2.gz RRJYYUCRFGQMLF-UHFFFAOYSA-N 1 0 203.282 0.498 10 0 BCAERO Cc1nnc2c(NCC[C@@H](C)[NH3+])nccn12 ZINC000070616660 359060622 /nfs/dbraw/zinc/06/06/22/359060622.db2.gz APDOFYMBYDNUNI-SSDOTTSWSA-N 1 0 220.280 0.582 10 0 BCAERO COCCC[N@@H+]1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000247022304 359185706 /nfs/dbraw/zinc/18/57/06/359185706.db2.gz CTUNWCAHWXAHLJ-NEPJUHHUSA-N 1 0 230.352 0.410 10 0 BCAERO C[C@H]1C[N@H+](CCCCO)C[C@H]1N1CCOCC1 ZINC000246523456 359144007 /nfs/dbraw/zinc/14/40/07/359144007.db2.gz RLOIRPQEHPQMHF-QWHCGFSZSA-N 1 0 242.363 0.411 10 0 BCAERO CCN(CC)C(=O)CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000247084223 359193904 /nfs/dbraw/zinc/19/39/04/359193904.db2.gz HFIBDTSHYVKBDL-LBPRGKRZSA-N 1 0 239.363 0.635 10 0 BCAERO COC(=O)[C@@H]1CCC[N@@H+]([C@H]2CCN(C)C2=O)C1 ZINC000247586384 359236341 /nfs/dbraw/zinc/23/63/41/359236341.db2.gz ZSBVRYYSANWILE-ZJUUUORDSA-N 1 0 240.303 0.102 10 0 BCAERO C[C@H]1C[N@H+](CCCF)C[C@H]1N1CCOCC1 ZINC000248142560 359255684 /nfs/dbraw/zinc/25/56/84/359255684.db2.gz PVHXROWIVMTXCY-NWDGAFQWSA-N 1 0 230.327 0.999 10 0 BCAERO CCOCC[N@@H+]1CCN(CCOC)[C@@H](C)C1 ZINC000247154846 359198206 /nfs/dbraw/zinc/19/82/06/359198206.db2.gz LWUDCNXHFIYHOK-LBPRGKRZSA-N 1 0 230.352 0.675 10 0 BCAERO CC[C@H](C)NC(=O)CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000247251066 359204929 /nfs/dbraw/zinc/20/49/29/359204929.db2.gz TZDOUJYUCKYSNT-RYUDHWBXSA-N 1 0 239.363 0.681 10 0 BCAERO CC(C)NC(=O)CN1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000247317677 359211621 /nfs/dbraw/zinc/21/16/21/359211621.db2.gz OKPDHPCXQOUCPG-RYUDHWBXSA-N 1 0 239.363 0.680 10 0 BCAERO c1cnn(CCN2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000247404835 359219259 /nfs/dbraw/zinc/21/92/59/359219259.db2.gz YYXBIVFVXFAYKO-LBPRGKRZSA-N 1 0 220.320 0.663 10 0 BCAERO CC[C@@H]1CN(CCOC)CC[N@@H+]1C[C@H](C)O ZINC000247437357 359220932 /nfs/dbraw/zinc/22/09/32/359220932.db2.gz ZJRCEMPGYKPRMK-NWDGAFQWSA-N 1 0 230.352 0.410 10 0 BCAERO C[C@@H](C(=O)N[C@@H]1CC[NH2+]C1)C(C)(F)F ZINC000306207139 359299105 /nfs/dbraw/zinc/29/91/05/359299105.db2.gz QPFKTNJNXOJFCF-NKWVEPMBSA-N 1 0 206.236 0.756 10 0 BCAERO C[C@@H]1C[N@@H+](C[C@](C)(O)C[NH3+])C[C@H](C)S1 ZINC000306213436 359307295 /nfs/dbraw/zinc/30/72/95/359307295.db2.gz WWPXKMNWLRRXHJ-KXUCPTDWSA-N 1 0 218.366 0.522 10 0 BCAERO O=C(Nc1cc(Cl)[nH]n1)C1C[NH2+]C1 ZINC000306226579 359354556 /nfs/dbraw/zinc/35/45/56/359354556.db2.gz WAGMHRZPNMFQMG-UHFFFAOYSA-N 1 0 200.629 0.221 10 0 BCAERO [NH3+]C[C@@H]1CN(C(=O)C(F)(F)F)CCCO1 ZINC000306228392 359361992 /nfs/dbraw/zinc/36/19/92/359361992.db2.gz FJQCWDNDZVRDCB-ZCFIWIBFSA-N 1 0 226.198 0.125 10 0 BCAERO FC1(F)CN(C2=[NH+]CCN2)CC1(F)F ZINC000306220008 359339447 /nfs/dbraw/zinc/33/94/47/359339447.db2.gz HAERIPPEJHVSMD-UHFFFAOYSA-N 1 0 211.162 0.532 10 0 BCAERO c1ccc(CN2CC[C@@H](NC3=[NH+]CCN3)C2)cc1 ZINC000306223893 359347396 /nfs/dbraw/zinc/34/73/96/359347396.db2.gz CHHYAKSHAOPLMR-CYBMUJFWSA-N 1 0 244.342 0.810 10 0 BCAERO COC[C@H](C)N1CC[C@H]2OCC[NH2+][C@H]2C1 ZINC000404239830 359351446 /nfs/dbraw/zinc/35/14/46/359351446.db2.gz WOGNJKALLIOSAE-GARJFASQSA-N 1 0 214.309 0.084 10 0 BCAERO Cc1cccnc1CN1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC000404279407 359414691 /nfs/dbraw/zinc/41/46/91/359414691.db2.gz UODFJKDCQQMPAT-KGLIPLIRSA-N 1 0 247.342 0.953 10 0 BCAERO C[NH2+]C[C@]1(O)CCO[C@H](C(F)(F)F)C1 ZINC000306245273 359428355 /nfs/dbraw/zinc/42/83/55/359428355.db2.gz UZGMIDVETFSDAT-BQBZGAKWSA-N 1 0 213.199 0.678 10 0 BCAERO Oc1cccc(CN2CC[C@H]3OCC[NH2+][C@@H]3C2)c1 ZINC000404256744 359389954 /nfs/dbraw/zinc/38/99/54/359389954.db2.gz MGCWKRGJDDTEOG-ZIAGYGMSSA-N 1 0 248.326 0.955 10 0 BCAERO CCS(=O)(=O)N1CCC[C@H]([NH3+])CC1 ZINC000306248741 359445377 /nfs/dbraw/zinc/44/53/77/359445377.db2.gz YZMOCTOQKOHAJY-QMMMGPOBSA-N 1 0 206.311 0.149 10 0 BCAERO C[C@@H]1C[NH2+]CC[C@]1(O)Cc1csnn1 ZINC000306250767 359455618 /nfs/dbraw/zinc/45/56/18/359455618.db2.gz ZHKCFPLKZIWXHP-APPZFPTMSA-N 1 0 213.306 0.441 10 0 BCAERO C[C@H]1SCC[C@@H]1NC(=O)C1C[NH2+]C1 ZINC000306260706 359479457 /nfs/dbraw/zinc/47/94/57/359479457.db2.gz VEZUPOYMUWXSIP-SVRRBLITSA-N 1 0 200.307 0.216 10 0 BCAERO C[NH2+][C@@]1(CO)CCO[C@H](C(F)(F)F)C1 ZINC000306252390 359460521 /nfs/dbraw/zinc/46/05/21/359460521.db2.gz VGWBYXZTDLOTMP-BQBZGAKWSA-N 1 0 213.199 0.678 10 0 BCAERO C[NH2+][C@]1(CO)CCO[C@@H](C(F)(F)F)C1 ZINC000306252392 359460564 /nfs/dbraw/zinc/46/05/64/359460564.db2.gz VGWBYXZTDLOTMP-RNFRBKRXSA-N 1 0 213.199 0.678 10 0 BCAERO C([NH2+]C1COCCOC1)[C@H]1CCCS1 ZINC000306255111 359460619 /nfs/dbraw/zinc/46/06/19/359460619.db2.gz OQYRBMXOFXCLAM-SNVBAGLBSA-N 1 0 217.334 0.887 10 0 BCAERO COC(C)(C)CN(C)C(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000404320497 359521776 /nfs/dbraw/zinc/52/17/76/359521776.db2.gz CSDVTGKRESQNJM-NXEZZACHSA-N 1 0 228.336 0.725 10 0 BCAERO Cc1ncsc1C[NH2+][C@@H]1CCOC[C@@H]1O ZINC000623764435 359485862 /nfs/dbraw/zinc/48/58/62/359485862.db2.gz DZMCQTIYOGNBJH-BDAKNGLRSA-N 1 0 228.317 0.691 10 0 BCAERO C[C@H]1C[NH2+]CC[C@@H]1CNC(=O)C(F)(F)F ZINC000306296972 359541691 /nfs/dbraw/zinc/54/16/91/359541691.db2.gz AXKYLHMQBLKASG-NKWVEPMBSA-N 1 0 224.226 0.911 10 0 BCAERO C[C@@H](CO)Nc1[nH+]ncc(N)c1Cl ZINC000306299743 359548220 /nfs/dbraw/zinc/54/82/20/359548220.db2.gz FBZWIOQJGRJZOI-BYPYZUCNSA-N 1 0 202.645 0.505 10 0 BCAERO [NH3+][C@@H]1COC[C@@H]1NC(=O)NCc1ccccc1 ZINC000306308110 359589393 /nfs/dbraw/zinc/58/93/93/359589393.db2.gz RPTIKECKWYKQNK-MNOVXSKESA-N 1 0 235.287 0.212 10 0 BCAERO C[C@H](O[C@H]1CC[NH2+]CC1(C)C)C(N)=O ZINC000306317054 359597576 /nfs/dbraw/zinc/59/75/76/359597576.db2.gz SKPMOSNCTOUYBG-YUMQZZPRSA-N 1 0 200.282 0.265 10 0 BCAERO CC1(C)C[N@H+](CCC(N)=S)CC[C@@H]1O ZINC000306326874 359608911 /nfs/dbraw/zinc/60/89/11/359608911.db2.gz XGMLNNOMQLEQTQ-QMMMGPOBSA-N 1 0 216.350 0.755 10 0 BCAERO CCc1nc(C[NH2+][C@@H]2CCOC[C@@H]2O)cs1 ZINC000623765054 359640489 /nfs/dbraw/zinc/64/04/89/359640489.db2.gz NCSDRWBFRXNMQM-ZJUUUORDSA-N 1 0 242.344 0.945 10 0 BCAERO CC(F)(F)CC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000306334994 359636249 /nfs/dbraw/zinc/63/62/49/359636249.db2.gz AMGKMMGUUAUSBC-SSDOTTSWSA-N 1 0 206.236 0.900 10 0 BCAERO COC(=O)C(C)(C)NC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000089453428 359644205 /nfs/dbraw/zinc/64/42/05/359644205.db2.gz YZYBXAYWGGXZFY-IUCAKERBSA-N 1 0 242.319 0.429 10 0 BCAERO CCN1C[C@@H](C)[C@@H]([NH2+]Cc2cn[nH]c2)C1 ZINC000309057288 491143483 /nfs/dbraw/zinc/14/34/83/491143483.db2.gz UZKKMXLYKJIESQ-KOLCDFICSA-N 1 0 208.309 0.840 10 0 BCAERO OC1(Cc2ncccc2Br)C[NH2+]C1 ZINC000306368318 359698516 /nfs/dbraw/zinc/69/85/16/359698516.db2.gz JPTFFPOMDQQBFP-UHFFFAOYSA-N 1 0 243.104 0.721 10 0 BCAERO C[C@@H]1C[C@@H]1[NH2+][C@@H]1CCS(=O)(=O)[C@@H]1C ZINC000306385351 359736706 /nfs/dbraw/zinc/73/67/06/359736706.db2.gz FZKZVCYTXMQHPS-BGZDPUMWSA-N 1 0 203.307 0.560 10 0 BCAERO C[NH2+]C[C@@H]1C[C@@]12CCS(=O)(=O)[C@@H]2C ZINC000306389049 359743678 /nfs/dbraw/zinc/74/36/78/359743678.db2.gz QGIZVNMVXHFANI-HRDYMLBCSA-N 1 0 203.307 0.419 10 0 BCAERO C[C@@H]([NH3+])[C@H]1CN(c2nncs2)CCO1 ZINC000169207066 359776192 /nfs/dbraw/zinc/77/61/92/359776192.db2.gz OVNHPXDACBCULY-RNFRBKRXSA-N 1 0 214.294 0.091 10 0 BCAERO C[C@@H]([NH3+])[C@@H]1CN(c2nncs2)CCO1 ZINC000169206900 359776219 /nfs/dbraw/zinc/77/62/19/359776219.db2.gz OVNHPXDACBCULY-RQJHMYQMSA-N 1 0 214.294 0.091 10 0 BCAERO O=[S@@]([C@@H]1CC[NH2+]C1)C1CCOCC1 ZINC000306413265 359823425 /nfs/dbraw/zinc/82/34/25/359823425.db2.gz SGEGFEHYLWFSLC-NOZJJQNGSA-N 1 0 203.307 0.276 10 0 BCAERO C[C@@H]1CN(C)C[C@@H]1[NH2+][C@H]1CCC[C@@H](O)C1 ZINC000309112640 491144899 /nfs/dbraw/zinc/14/48/99/491144899.db2.gz KFLNSOWVEPYIEK-KXNHARMFSA-N 1 0 212.337 0.830 10 0 BCAERO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCOC[C@@H]2O)C[C@H](C)O1 ZINC000623766121 359852226 /nfs/dbraw/zinc/85/22/26/359852226.db2.gz ALZDQNNUQVDGPW-ROHXPCBUSA-N 1 0 229.320 0.682 10 0 BCAERO c1c[nH]c(-c2noc([C@H]3CCC[NH2+]C3)n2)n1 ZINC000087338725 359907512 /nfs/dbraw/zinc/90/75/12/359907512.db2.gz NXXFENQCQRQDQF-ZETCQYMHSA-N 1 0 219.248 0.927 10 0 BCAERO C[C@@H]1C[S@](=O)C[C@@H]([C@@H]2CCOC2)[NH2+]1 ZINC000231362630 359957085 /nfs/dbraw/zinc/95/70/85/359957085.db2.gz MDRFDXJCYAQKBE-SKNMHBRKSA-N 1 0 203.307 0.132 10 0 BCAERO CC(C)([NH3+])CN1CCC[S@@](=O)CC1 ZINC000306438470 359949580 /nfs/dbraw/zinc/94/95/80/359949580.db2.gz IKJNFSTWDKZUSU-CYBMUJFWSA-N 1 0 204.339 0.178 10 0 BCAERO C[C@@H]1CCN(C(=O)C2CCOCC2)C[C@H]1[NH3+] ZINC000069719289 360027492 /nfs/dbraw/zinc/02/74/92/360027492.db2.gz SRTIGUFQCAUMNQ-MWLCHTKSSA-N 1 0 226.320 0.609 10 0 BCAERO [NH3+]C1(Cc2cnns2)CCC(O)CC1 ZINC000306471123 360094829 /nfs/dbraw/zinc/09/48/29/360094829.db2.gz RILJQEUHDYLHHD-UHFFFAOYSA-N 1 0 213.306 0.713 10 0 BCAERO CNC(=O)C[NH+]1CCC(Cn2cccn2)CC1 ZINC000090473408 360074359 /nfs/dbraw/zinc/07/43/59/360074359.db2.gz IHEQQHITLSTAJO-UHFFFAOYSA-N 1 0 236.319 0.341 10 0 BCAERO C[C@@H]1C[C@](O)(C(N)=O)C[N@@H+]1Cc1ccccc1 ZINC000306482036 360147156 /nfs/dbraw/zinc/14/71/56/360147156.db2.gz KNDKGQZXLRFYLO-ZWNOBZJWSA-N 1 0 234.299 0.497 10 0 BCAERO C[C@H]1SCCN([C@@H]2C[NH2+]C[C@H]2O)[C@H]1C ZINC000306483225 360150965 /nfs/dbraw/zinc/15/09/65/360150965.db2.gz MJXJRNCICJLUGB-SGIHWFKDSA-N 1 0 216.350 0.145 10 0 BCAERO CN(CC1CCOCC1)C(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000091539781 360119826 /nfs/dbraw/zinc/11/98/26/360119826.db2.gz SCASRRTVPMJHFF-VXGBXAGGSA-N 1 0 240.347 0.999 10 0 BCAERO O=C(N[C@H]1CC[NH2+]C1)c1sccc1F ZINC000306488293 360165727 /nfs/dbraw/zinc/16/57/27/360165727.db2.gz KBMFVKWHHRFAAF-LURJTMIESA-N 1 0 214.265 0.979 10 0 BCAERO CCOC[C@@H](O)CN(C)C[C@@H]1CCC[N@@H+]1CC ZINC000092633699 360186836 /nfs/dbraw/zinc/18/68/36/360186836.db2.gz OUXQUEAWODJEDI-STQMWFEESA-N 1 0 244.379 0.800 10 0 BCAERO C[NH2+]C[C@@H](C)N1CCC[S@](=O)CC1 ZINC000306493356 360211198 /nfs/dbraw/zinc/21/11/98/360211198.db2.gz YZDQAXDZWGNOIY-RNCFNFMXSA-N 1 0 204.339 0.049 10 0 BCAERO C[NH2+]C[C@H]1CCN(C)[C@@H]1c1csnn1 ZINC000306496059 360221526 /nfs/dbraw/zinc/22/15/26/360221526.db2.gz WQPAYYIRARKRQA-APPZFPTMSA-N 1 0 212.322 0.750 10 0 BCAERO C[C@H]1[NH2+]CCC[C@H]1NC(=O)C(C)(C)F ZINC000306497920 360232445 /nfs/dbraw/zinc/23/24/45/360232445.db2.gz CMCMQUUNMZCRNS-HTQZYQBOSA-N 1 0 202.273 0.991 10 0 BCAERO [NH3+][C@@H]1COC[C@H]1N1C(=O)c2ccccc2C1=O ZINC000306498627 360238329 /nfs/dbraw/zinc/23/83/29/360238329.db2.gz FWBSDTUVUTZJCB-NXEZZACHSA-N 1 0 232.239 0.009 10 0 BCAERO [NH3+][C@H]1COC[C@@H]1N1C(=O)c2ccccc2C1=O ZINC000306498628 360250955 /nfs/dbraw/zinc/25/09/55/360250955.db2.gz FWBSDTUVUTZJCB-UWVGGRQHSA-N 1 0 232.239 0.009 10 0 BCAERO C([C@@H]1COCCO1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000094432180 360307197 /nfs/dbraw/zinc/30/71/97/360307197.db2.gz CYTDTCOGAUVTNP-QWHCGFSZSA-N 1 0 240.347 0.572 10 0 BCAERO [NH3+]C[C@H]1CC(=O)N([C@@H]2CCSC2)C1 ZINC000231418000 360272982 /nfs/dbraw/zinc/27/29/82/360272982.db2.gz XAGILSYJZJJRJG-HTQZYQBOSA-N 1 0 200.307 0.299 10 0 BCAERO [NH3+][C@H]1CCCN([C@@H]2CCSC2)C1=O ZINC000231418908 360274918 /nfs/dbraw/zinc/27/49/18/360274918.db2.gz HXHINEOEFXDETF-SFYZADRCSA-N 1 0 200.307 0.442 10 0 BCAERO COCCOCCN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000094351202 360305069 /nfs/dbraw/zinc/30/50/69/360305069.db2.gz BUUARJOKMKHSNO-CYBMUJFWSA-N 1 0 242.363 0.820 10 0 BCAERO CCN(C[C@@H]1CCOC1)C(=O)[C@H]1CCC[NH2+]C1 ZINC000037827184 169887991 /nfs/dbraw/zinc/88/79/91/169887991.db2.gz BMRGJJIAESPUQS-RYUDHWBXSA-N 1 0 240.347 0.871 10 0 BCAERO CS[C@H]1CCCN(C(=O)[C@@H]2CC[NH2+]2)C1 ZINC000306517419 360344499 /nfs/dbraw/zinc/34/44/99/360344499.db2.gz FVQSCAGRAABRDK-IUCAKERBSA-N 1 0 214.334 0.702 10 0 BCAERO NC(=O)c1ccc(N[C@H]2CCCC[C@@H]2[NH3+])nc1 ZINC000038050974 181300886 /nfs/dbraw/zinc/30/08/86/181300886.db2.gz IKVNEICVHAGAJS-UWVGGRQHSA-N 1 0 234.303 0.862 10 0 BCAERO [NH3+][C@@H]1CCC2(C[C@@H]1[N@@H+]1C[C@@H]3C[C@@H]3C1)OCCO2 ZINC000306532129 360391078 /nfs/dbraw/zinc/39/10/78/360391078.db2.gz BGBPWDPQBXUIDQ-KXNHARMFSA-N 1 0 238.331 0.561 10 0 BCAERO C[C@@H]1CN([C@H]2CC[C@@H]([NH3+])C2)S(=O)(=O)C1 ZINC000306532654 360392270 /nfs/dbraw/zinc/39/22/70/360392270.db2.gz BYAAQEDPEBKORA-HLTSFMKQSA-N 1 0 218.322 0.148 10 0 BCAERO C[NH2+][C@@H](c1nncn1C)[C@@H]1CCSC1 ZINC000306562592 360438897 /nfs/dbraw/zinc/43/88/97/360438897.db2.gz OGMRPXRQJADMBZ-HTQZYQBOSA-N 1 0 212.322 0.829 10 0 BCAERO O=C1c2ccccc2C(=O)N1C1(CCO)C[NH2+]C1 ZINC000306564543 360443761 /nfs/dbraw/zinc/44/37/61/360443761.db2.gz DVCZDVVVYNGKQV-UHFFFAOYSA-N 1 0 246.266 0.007 10 0 BCAERO CC1(C)CCC[C@](C[NH3+])(CCO)[C@@H]1O ZINC000306538362 360404555 /nfs/dbraw/zinc/40/45/55/360404555.db2.gz MDXCGCFRHJTIIT-MWLCHTKSSA-N 1 0 201.310 0.885 10 0 BCAERO C[C@@H]1CSCC[N@H+](CCC(N)=O)C1 ZINC000306545743 360414211 /nfs/dbraw/zinc/41/42/11/360414211.db2.gz AXXFSPAHXCCSIF-QMMMGPOBSA-N 1 0 202.323 0.547 10 0 BCAERO COc1cc([C@H](O)C(C)(C)[NH3+])sn1 ZINC000306545773 360414697 /nfs/dbraw/zinc/41/46/97/360414697.db2.gz WALVAGXHMKVABW-ZETCQYMHSA-N 1 0 202.279 0.922 10 0 BCAERO C[C@H]1CSCCN1C(=O)C(C)(C)[NH3+] ZINC000069762077 360423214 /nfs/dbraw/zinc/42/32/14/360423214.db2.gz UTKGDNYVAITERH-ZETCQYMHSA-N 1 0 202.323 0.688 10 0 BCAERO [NH3+][C@@H]1CCC[C@@H]1C(=O)Cc1csnn1 ZINC000306553742 360426396 /nfs/dbraw/zinc/42/63/96/360426396.db2.gz GVNZEQPPKJFXHD-JGVFFNPUSA-N 1 0 211.290 0.777 10 0 BCAERO CN([C@@H]1CC[NH2+]C1)[S@](=O)C1CCCC1 ZINC000306560253 360435069 /nfs/dbraw/zinc/43/50/69/360435069.db2.gz RLEDRXHHNOLAJF-YMTOWFKASA-N 1 0 216.350 0.886 10 0 BCAERO CN([C@H]1CC[NH2+]C1)[S@@](=O)C1CCCC1 ZINC000306560251 360435209 /nfs/dbraw/zinc/43/52/09/360435209.db2.gz RLEDRXHHNOLAJF-XPTSAGLGSA-N 1 0 216.350 0.886 10 0 BCAERO C[C@@H]1CCN(CC[S@](C)=O)C[C@@H]1[NH3+] ZINC000306590213 360493124 /nfs/dbraw/zinc/49/31/24/360493124.db2.gz UXQXQTMVBVNAMP-ZDMBXUJBSA-N 1 0 204.339 0.034 10 0 BCAERO C[C@@H]1CCN(CC[S@](C)=O)C[C@H]1[NH3+] ZINC000306590211 360493166 /nfs/dbraw/zinc/49/31/66/360493166.db2.gz UXQXQTMVBVNAMP-KKFJDGPESA-N 1 0 204.339 0.034 10 0 BCAERO Cc1nnc(C(=O)[C@@]2(C)CC[NH2+]C2)n1C ZINC000306589517 360494183 /nfs/dbraw/zinc/49/41/83/360494183.db2.gz XDHAPVOPHTVBRP-JTQLQIEISA-N 1 0 208.265 0.306 10 0 BCAERO NC(=O)c1ccc(OC[C@H]2CCCC[NH2+]2)nc1 ZINC000051883426 181301312 /nfs/dbraw/zinc/30/13/12/181301312.db2.gz BZCRZBKAQDBRHY-SNVBAGLBSA-N 1 0 235.287 0.701 10 0 BCAERO CC[C@](C)([C@@H](C)[NH3+])N1CCS(=O)CC1 ZINC000306572548 360461539 /nfs/dbraw/zinc/46/15/39/360461539.db2.gz GXAUYNGDHHMYLK-NXEZZACHSA-N 1 0 218.366 0.567 10 0 BCAERO C[S@](=O)N1CC[NH2+]C2(CCCCC2)C1 ZINC000306577792 360465907 /nfs/dbraw/zinc/46/59/07/360465907.db2.gz LQLZIVRUOLNUAG-AWEZNQCLSA-N 1 0 216.350 0.888 10 0 BCAERO C[C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC000306590769 360509823 /nfs/dbraw/zinc/50/98/23/360509823.db2.gz AJXZJJOMLAIRFR-MRVPVSSYSA-N 1 0 203.307 0.421 10 0 BCAERO C[C@@H]1CSC[C@@H]1N1CC[C@H]([NH3+])C1=O ZINC000306596058 360515165 /nfs/dbraw/zinc/51/51/65/360515165.db2.gz YKJOZDNELHMWJE-CSMHCCOUSA-N 1 0 200.307 0.298 10 0 BCAERO C[C@@H]([NH3+])[C@H](C)NC(=O)[C@H]1CC[C@@H](C)O1 ZINC000306597361 360519363 /nfs/dbraw/zinc/51/93/63/360519363.db2.gz ODCCFSUCBQPDHK-LURQLKTLSA-N 1 0 200.282 0.406 10 0 BCAERO C[C@H](C(N)=S)[N@@H+]1CCC[C@@H](O)CC1 ZINC000306610300 360615876 /nfs/dbraw/zinc/61/58/76/360615876.db2.gz FAWGLDVZXSXEBS-HTQZYQBOSA-N 1 0 202.323 0.508 10 0 BCAERO NC(=O)c1cccc(OC[C@@H]2CCC[NH2+]2)c1 ZINC000026377206 181305603 /nfs/dbraw/zinc/30/56/03/181305603.db2.gz FVUACMFKDIFTSI-JTQLQIEISA-N 1 0 220.272 0.916 10 0 BCAERO NC(=O)c1cccnc1NC[C@@H]1CCC[NH2+]1 ZINC000053255076 181307423 /nfs/dbraw/zinc/30/74/23/181307423.db2.gz RPMDJGZJHHWCPO-QMMMGPOBSA-N 1 0 220.276 0.344 10 0 BCAERO NC(=O)c1cccnc1N[C@@H]1CCCC[C@H]1[NH3+] ZINC000038050692 181307764 /nfs/dbraw/zinc/30/77/64/181307764.db2.gz ZKCKNRCWAXPHMS-NXEZZACHSA-N 1 0 234.303 0.862 10 0 BCAERO COc1ccc([C@@H](O)CN2CC[C@@H]([NH3+])C2)cc1 ZINC000169676065 360856676 /nfs/dbraw/zinc/85/66/76/360856676.db2.gz ACYWPAFIBGIGSI-YPMHNXCESA-N 1 0 236.315 0.762 10 0 BCAERO NC(=O)c1nccnc1N[C@@H]1CCCC[C@@H]1[NH3+] ZINC000054399057 181314270 /nfs/dbraw/zinc/31/42/70/181314270.db2.gz PWGNAYMUENXAEO-JGVFFNPUSA-N 1 0 235.291 0.257 10 0 BCAERO CC(C)(C)OC(=O)[C@H]1CCN(C[NH3+])C1 ZINC000035270200 363746435 /nfs/dbraw/zinc/74/64/35/363746435.db2.gz AWRPXOMRXIZAIW-QMMMGPOBSA-N 1 0 200.282 0.566 10 0 BCAERO C[C@H]1CN(C(=O)[C@]2(C)CC[NH2+]C2)CCS1 ZINC000155686010 360911320 /nfs/dbraw/zinc/91/13/20/360911320.db2.gz PELDVWJJKWDAGI-GXSJLCMTSA-N 1 0 228.361 0.950 10 0 BCAERO COCC[NH2+]CC(=O)N1CCS[C@@H](C)C1 ZINC000155699506 360912528 /nfs/dbraw/zinc/91/25/28/360912528.db2.gz DVGYTGRWCHHYSP-VIFPVBQESA-N 1 0 232.349 0.186 10 0 BCAERO COCCC[NH2+][C@H]1CCN(C(C)=O)C[C@@H]1C ZINC000309623828 491153048 /nfs/dbraw/zinc/15/30/48/491153048.db2.gz FWYZFSXKPWSEFZ-JQWIXIFHSA-N 1 0 228.336 0.869 10 0 BCAERO COc1ccc([C@]2(CO)CC[NH2+]C2)cc1 ZINC000238384637 360988858 /nfs/dbraw/zinc/98/88/58/360988858.db2.gz UMGKBZFZWHDGPD-GFCCVEGCSA-N 1 0 207.273 0.919 10 0 BCAERO CC[C@@H](O)C[NH2+][C@H]1CCN(C(C)=O)C[C@H]1C ZINC000309672525 491153629 /nfs/dbraw/zinc/15/36/29/491153629.db2.gz WPDIOUIHXBFZMD-JLLWLGSASA-N 1 0 228.336 0.604 10 0 BCAERO [NH3+]C1(C(=O)N2CCC[C@H]2CO)CCCC1 ZINC000042434881 181324118 /nfs/dbraw/zinc/32/41/18/181324118.db2.gz AUDVCORHXAOKMR-VIFPVBQESA-N 1 0 212.293 0.241 10 0 BCAERO NC(=O)c1ccc([C@H]2C[NH2+]CCN2)cc1 ZINC000238550636 361144663 /nfs/dbraw/zinc/14/46/63/361144663.db2.gz PGXXIECLISAHRB-SNVBAGLBSA-N 1 0 205.261 0.019 10 0 BCAERO [NH3+]C[C@]1(O)CCCN(c2ccccn2)C1 ZINC000238585331 361159240 /nfs/dbraw/zinc/15/92/40/361159240.db2.gz YMXRADSUILMSEP-LLVKDONJSA-N 1 0 207.277 0.372 10 0 BCAERO [NH3+]C1(C(=O)NCCC2CC2)CCOCC1 ZINC000149742477 181325383 /nfs/dbraw/zinc/32/53/83/181325383.db2.gz OYBIUAZIFXDZCC-UHFFFAOYSA-N 1 0 212.293 0.411 10 0 BCAERO Cc1c(C[NH2+]CC[C@H](O)C(F)F)cnn1C ZINC000631216567 361165484 /nfs/dbraw/zinc/16/54/84/361165484.db2.gz PGCXRJBJKCVDDA-VIFPVBQESA-N 1 0 233.262 0.834 10 0 BCAERO Cc1c(C[NH2+]CC[C@@H](O)C(F)F)cnn1C ZINC000631216566 361165488 /nfs/dbraw/zinc/16/54/88/361165488.db2.gz PGCXRJBJKCVDDA-SECBINFHSA-N 1 0 233.262 0.834 10 0 BCAERO CC(C)OCCCN1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC000578994419 366689789 /nfs/dbraw/zinc/68/97/89/366689789.db2.gz RBAUZFOTSCJQDN-OLZOCXBDSA-N 1 0 242.363 0.864 10 0 BCAERO [NH3+]C1(C(=O)N[C@H]2CCCNC2=O)CCCCC1 ZINC000050397776 181328484 /nfs/dbraw/zinc/32/84/84/181328484.db2.gz HVLLMPCFPIYVDT-VIFPVBQESA-N 1 0 239.319 0.043 10 0 BCAERO [NH3+][C@H]1CCN(C(=O)[C@@H]2CCSC2)C1 ZINC000069986665 361322356 /nfs/dbraw/zinc/32/23/56/361322356.db2.gz RSQIWEMFCOKAQF-SFYZADRCSA-N 1 0 200.307 0.299 10 0 BCAERO [NH3+]C[C@@H]1CCN(C(=O)[C@H]2CCSC2)C1 ZINC000069986680 361322609 /nfs/dbraw/zinc/32/26/09/361322609.db2.gz VHSCOOFGLGIWQV-IUCAKERBSA-N 1 0 214.334 0.547 10 0 BCAERO [NH3+]C1CC(NC(=O)[C@@H]2CCSC2)C1 ZINC000069986438 361322684 /nfs/dbraw/zinc/32/26/84/361322684.db2.gz CWWHOWFSNQQFLL-JECWYVHBSA-N 1 0 200.307 0.345 10 0 BCAERO OCC[C@@H]1CC[N@H+](CCn2ccnc2)C1 ZINC000162895084 361369532 /nfs/dbraw/zinc/36/95/32/361369532.db2.gz RVIDUNGJWCFVOD-NSHDSACASA-N 1 0 209.293 0.587 10 0 BCAERO [NH3+]C[C@H]1CC(=O)N(Cc2cscn2)C1 ZINC000070052654 361388740 /nfs/dbraw/zinc/38/87/40/361388740.db2.gz RMIKWHJTDKYVLM-SSDOTTSWSA-N 1 0 211.290 0.450 10 0 BCAERO C[C@@H]([NH2+]Cc1[nH]nc2ccccc21)C(N)=O ZINC000309829902 491157393 /nfs/dbraw/zinc/15/73/93/491157393.db2.gz YHCKQLAFMWYQPK-SSDOTTSWSA-N 1 0 218.260 0.526 10 0 BCAERO Cc1nnc2n1C[C@@H]([NH2+]CC1(F)CC1)CC2 ZINC000309886734 491157643 /nfs/dbraw/zinc/15/76/43/491157643.db2.gz YUGZKXWDGULACH-VIFPVBQESA-N 1 0 224.283 0.993 10 0 BCAERO COC[C@@H](C)[NH2+]Cc1cnc2ccnn2c1 ZINC000381450193 361462404 /nfs/dbraw/zinc/46/24/04/361462404.db2.gz HELXAZGAROGQGW-SECBINFHSA-N 1 0 220.276 0.854 10 0 BCAERO CCn1c(C)nnc1CN(C)CCOCC[NH3+] ZINC000629577850 361468271 /nfs/dbraw/zinc/46/82/71/361468271.db2.gz KCZJUGQARKSHFY-UHFFFAOYSA-N 1 0 241.339 0.014 10 0 BCAERO CCN1OC[C@H]([NH2+][C@H](C)[C@@H]2CCCO2)C1=O ZINC000309930144 491158337 /nfs/dbraw/zinc/15/83/37/491158337.db2.gz XNHSISPAVQUPAV-UTLUCORTSA-N 1 0 228.292 0.306 10 0 BCAERO CCN1OC[C@H]([NH2+][C@H](C)[C@H]2CCCO2)C1=O ZINC000309930142 491158343 /nfs/dbraw/zinc/15/83/43/491158343.db2.gz XNHSISPAVQUPAV-KXUCPTDWSA-N 1 0 228.292 0.306 10 0 BCAERO C[N@@H+]1CCCC[C@@H]1CNS(C)(=O)=O ZINC000070226807 361485247 /nfs/dbraw/zinc/48/52/47/361485247.db2.gz ALOWSSZNSDQNBO-MRVPVSSYSA-N 1 0 206.311 0.020 10 0 BCAERO C[C@@H]1CCSCCN1[C@H](C[NH3+])CO ZINC000306636901 361452807 /nfs/dbraw/zinc/45/28/07/361452807.db2.gz MAQUOQWIJQFKPF-RKDXNWHRSA-N 1 0 204.339 0.133 10 0 BCAERO CO[C@@H](C)[C@H](C)[NH2+]C1CCN(CCO)CC1 ZINC000309965712 491158620 /nfs/dbraw/zinc/15/86/20/491158620.db2.gz NJFVJIMSIXSMDT-QWRGUYRKSA-N 1 0 230.352 0.456 10 0 BCAERO CO[C@@H](C)[C@@H](C)[NH2+]C1CCN(CCO)CC1 ZINC000309965710 491158655 /nfs/dbraw/zinc/15/86/55/491158655.db2.gz NJFVJIMSIXSMDT-MNOVXSKESA-N 1 0 230.352 0.456 10 0 BCAERO O[C@@H]1COCC[C@@H]1[NH2+]CC1(O)CCCC1 ZINC000629609039 361496538 /nfs/dbraw/zinc/49/65/38/361496538.db2.gz TUYVPBIQKRVOPL-VHSXEESVSA-N 1 0 215.293 0.031 10 0 BCAERO C[NH+]1CCC(NCc2cnns2)CC1 ZINC000306639311 361591545 /nfs/dbraw/zinc/59/15/45/361591545.db2.gz COZNBFRKVSOEIP-UHFFFAOYSA-N 1 0 212.322 0.722 10 0 BCAERO [NH3+]C1CCC(C(=O)NC[C@H]2CCOC2)CC1 ZINC000037739193 181340239 /nfs/dbraw/zinc/34/02/39/181340239.db2.gz PRSYGMHYWNUUOJ-KPPDAEKUSA-N 1 0 226.320 0.657 10 0 BCAERO [NH2+]=C1NCc2nnn(Cc3ccccc3)c2N1 ZINC000017128273 181339908 /nfs/dbraw/zinc/33/99/08/181339908.db2.gz AWXNUAZQSDAONH-UHFFFAOYSA-N 1 0 228.259 0.376 10 0 BCAERO NS(=O)(=O)c1ccccc1NC1CC([NH3+])C1 ZINC000036268694 181340551 /nfs/dbraw/zinc/34/05/51/181340551.db2.gz SXSNKLXEKGPGNV-UHFFFAOYSA-N 1 0 241.316 0.236 10 0 BCAERO [NH3+]C1CC(NC(=O)[C@@H](O)c2ccccc2)C1 ZINC000037375278 181340678 /nfs/dbraw/zinc/34/06/78/181340678.db2.gz MIMSXUHKINUTQP-ILDUYXDCSA-N 1 0 220.272 0.326 10 0 BCAERO [NH3+]C1CCC(CC(=O)N2CC[C@H](O)C2)CC1 ZINC000061714120 181341382 /nfs/dbraw/zinc/34/13/82/181341382.db2.gz ULWJLBBDBAZRBK-ILDUYXDCSA-N 1 0 226.320 0.487 10 0 BCAERO [NH3+]C1CCC(N2CCS(=O)CC2)CC1 ZINC000055144442 181341385 /nfs/dbraw/zinc/34/13/85/181341385.db2.gz OJXIDZGDVGXOHO-UHFFFAOYSA-N 1 0 216.350 0.321 10 0 BCAERO O=S1(=O)CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000070627828 361679282 /nfs/dbraw/zinc/67/92/82/361679282.db2.gz CUCCZZUSAVGRDU-IUCAKERBSA-N 1 0 203.307 0.421 10 0 BCAERO O=S1(=O)CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000070627826 361679339 /nfs/dbraw/zinc/67/93/39/361679339.db2.gz CUCCZZUSAVGRDU-BDAKNGLRSA-N 1 0 203.307 0.421 10 0 BCAERO [NH3+]C1CCN(c2nc3cccnc3[nH]2)CC1 ZINC000095072388 181345201 /nfs/dbraw/zinc/34/52/01/181345201.db2.gz YBYCZJLUWMBXPF-UHFFFAOYSA-N 1 0 217.276 0.837 10 0 BCAERO C[C@H](O)[C@H]([NH3+])CNc1ncccc1Cl ZINC000070648161 361696206 /nfs/dbraw/zinc/69/62/06/361696206.db2.gz MPFVGKDGFPBAKC-POYBYMJQSA-N 1 0 215.684 0.855 10 0 BCAERO CC(C)(C)NC(=O)NC(C)(C)C(N)=[NH2+] ZINC000070659991 361700859 /nfs/dbraw/zinc/70/08/59/361700859.db2.gz WPZKYKXVZGYYGV-UHFFFAOYSA-N 1 0 200.286 0.799 10 0 BCAERO [NH3+]CC(=O)NC[C@@H]1Cc2ccccc2O1 ZINC000038010003 181351524 /nfs/dbraw/zinc/35/15/24/181351524.db2.gz KDUXUAAKHAVDBQ-VIFPVBQESA-N 1 0 206.245 0.065 10 0 BCAERO O=C1CCC2(C[C@@H]1[C@@H]1CCC[NH2+]1)OCCO2 ZINC000713937077 541302291 /nfs/dbraw/zinc/30/22/91/541302291.db2.gz CXKBKJQVNQPGJM-ZJUUUORDSA-N 1 0 225.288 0.851 10 0 BCAERO O=C1CCC2(C[C@H]1[C@@H]1CCC[NH2+]1)OCCO2 ZINC000713937070 541302468 /nfs/dbraw/zinc/30/24/68/541302468.db2.gz CXKBKJQVNQPGJM-UWVGGRQHSA-N 1 0 225.288 0.851 10 0 BCAERO CCCc1nccn1C[C@@](C)([NH3+])C(N)=O ZINC000069964637 541307872 /nfs/dbraw/zinc/30/78/72/541307872.db2.gz FMQFQOCNELVZLG-SNVBAGLBSA-N 1 0 210.281 0.038 10 0 BCAERO C[C@@H](C[NH3+])[C@H](O)c1cnn(C)c1Br ZINC000306806353 541314173 /nfs/dbraw/zinc/31/41/73/541314173.db2.gz JKYCEILQHLBUHT-FSPLSTOPSA-N 1 0 248.124 0.811 10 0 BCAERO CC1CC(C(=O)N[C@@H](CO)C[NH+](C)C)C1 ZINC000614850416 364001584 /nfs/dbraw/zinc/00/15/84/364001584.db2.gz XUWHYMSVKFNQRH-UDNWOFFPSA-N 1 0 214.309 0.071 10 0 BCAERO [NH3+]CC(=O)NC[C@H](O)c1ccc(Cl)s1 ZINC000119406565 181353375 /nfs/dbraw/zinc/35/33/75/181353375.db2.gz QYNVGECHVFEGFH-YFKPBYRVSA-N 1 0 234.708 0.510 10 0 BCAERO [NH3+]C1(CC(=O)NC[C@H]2CCCC[C@H]2O)CCC1 ZINC000094295600 487527825 /nfs/dbraw/zinc/52/78/25/487527825.db2.gz RLHQZVIOIOVYSF-GHMZBOCLSA-N 1 0 240.347 0.925 10 0 BCAERO CCN(C)C(=O)N1C[C@@H](OC)C[C@@]1(C)C[NH3+] ZINC000630368051 364084968 /nfs/dbraw/zinc/08/49/68/364084968.db2.gz PZPFRBPGWMWFHB-ONGXEEELSA-N 1 0 229.324 0.496 10 0 BCAERO CO[C@H]1CN(Cc2ncc(C)o2)[C@](C)(C[NH3+])C1 ZINC000630362803 364082736 /nfs/dbraw/zinc/08/27/36/364082736.db2.gz BSJVGRZXCHUHOR-PWSUYJOCSA-N 1 0 239.319 0.921 10 0 BCAERO CO[C@H]1CN(C(=O)c2ccc[nH]2)[C@](C)(C[NH3+])C1 ZINC000630367299 364084975 /nfs/dbraw/zinc/08/49/75/364084975.db2.gz NOZPRGSJUFTWGJ-SKDRFNHKSA-N 1 0 237.303 0.593 10 0 BCAERO CCN(C(=O)C1CCOCC1)[C@@H]1CC[NH2+]C1 ZINC000037469853 364054477 /nfs/dbraw/zinc/05/44/77/364054477.db2.gz RIKJNGLNFZTGGE-LLVKDONJSA-N 1 0 226.320 0.623 10 0 BCAERO CCCNC(=O)NC[C@H]([NH3+])[C@H]1CCOC1 ZINC000725254944 541331991 /nfs/dbraw/zinc/33/19/91/541331991.db2.gz KXOOJKCKEQMDJB-IUCAKERBSA-N 1 0 215.297 0.059 10 0 BCAERO CO[C@@H]1CN(C(=O)c2ccoc2)[C@@](C)(C[NH3+])C1 ZINC000630369324 364086156 /nfs/dbraw/zinc/08/61/56/364086156.db2.gz WNIXLFAZVRJKBH-CMPLNLGQSA-N 1 0 238.287 0.858 10 0 BCAERO CO[C@@H]1CN(CCCF)[C@@](C)(C[NH3+])C1 ZINC000630369228 364086394 /nfs/dbraw/zinc/08/63/94/364086394.db2.gz VZVAQNJJBSWSHG-VHSXEESVSA-N 1 0 204.289 0.784 10 0 BCAERO CO[C@H]1CN(C(=O)N(C)C)[C@](C)(C[NH3+])C1 ZINC000630369392 364087675 /nfs/dbraw/zinc/08/76/75/364087675.db2.gz WXKIXDPJIGPKLK-SCZZXKLOSA-N 1 0 215.297 0.106 10 0 BCAERO CO[C@H]1CN(C(=O)c2cccnc2)[C@@](C)(C[NH3+])C1 ZINC000630374633 364088832 /nfs/dbraw/zinc/08/88/32/364088832.db2.gz ZRCBBANCZAFMRF-DGCLKSJQSA-N 1 0 249.314 0.660 10 0 BCAERO CO[C@H]1CN(C(=O)C2CC=CC2)[C@](C)(C[NH3+])C1 ZINC000630378477 364094640 /nfs/dbraw/zinc/09/46/40/364094640.db2.gz WPUGIVFMCPZMRK-YPMHNXCESA-N 1 0 238.331 0.917 10 0 BCAERO [NH3+]CC(=O)Nc1ccccc1-n1ccnn1 ZINC000037008863 181355995 /nfs/dbraw/zinc/35/59/95/181355995.db2.gz RRZRSYWNSNCMGE-UHFFFAOYSA-N 1 0 217.232 0.165 10 0 BCAERO NC(=O)c1ccc(Cl)c(NC(=O)C[NH3+])c1 ZINC000037014087 181356092 /nfs/dbraw/zinc/35/60/92/181356092.db2.gz UPKCCIAICWYWFF-UHFFFAOYSA-N 1 0 227.651 0.336 10 0 BCAERO COCCC(=O)N[C@H]1CCOC12CC[NH2+]CC2 ZINC000725268989 541338296 /nfs/dbraw/zinc/33/82/96/541338296.db2.gz ANGMPVBMMFAZLB-JTQLQIEISA-N 1 0 242.319 0.050 10 0 BCAERO COC(=O)CNC[C@H]1C[NH2+]CC12CCC2 ZINC000725268921 541338679 /nfs/dbraw/zinc/33/86/79/541338679.db2.gz GJTCJHLMRTYALR-VIFPVBQESA-N 1 0 212.293 0.139 10 0 BCAERO COCCNC(=O)N1CCCCC[C@@H]1C[NH3+] ZINC000725269750 541339195 /nfs/dbraw/zinc/33/91/95/541339195.db2.gz QETJULRSBXBBID-SNVBAGLBSA-N 1 0 229.324 0.546 10 0 BCAERO [NH3+]CC1(C(=O)N2CCC[C@H]2CO)CCC1 ZINC000082641907 181357970 /nfs/dbraw/zinc/35/79/70/181357970.db2.gz GMARRPPSOYEADC-VIFPVBQESA-N 1 0 212.293 0.099 10 0 BCAERO CN(C)Nc1nc(N)cc(Br)[nH+]1 ZINC000161643734 370747430 /nfs/dbraw/zinc/74/74/30/370747430.db2.gz NVRUZVILTRCJCS-UHFFFAOYSA-N 1 0 232.085 0.710 10 0 BCAERO [NH3+]C1(CNc2nc3ccccc3[nH]2)CCOCC1 ZINC000630525650 364212081 /nfs/dbraw/zinc/21/20/81/364212081.db2.gz HHUPJJYSZAOXCY-UHFFFAOYSA-N 1 0 246.314 0.905 10 0 BCAERO C[NH2+]CCOCCN(C)c1nccnc1C ZINC000630528956 364215770 /nfs/dbraw/zinc/21/57/70/364215770.db2.gz PCFDGELJZKBSFD-UHFFFAOYSA-N 1 0 224.308 0.457 10 0 BCAERO C[NH2+]CCOCCN(C)c1nc(C)ns1 ZINC000630528436 364215927 /nfs/dbraw/zinc/21/59/27/364215927.db2.gz IHXKVRNPDUEGFM-UHFFFAOYSA-N 1 0 230.337 0.519 10 0 BCAERO C[NH2+]CCOCCN(C)c1ncc(F)cn1 ZINC000630528646 364215948 /nfs/dbraw/zinc/21/59/48/364215948.db2.gz KVHQOWQRGWMBLR-UHFFFAOYSA-N 1 0 228.271 0.288 10 0 BCAERO C[NH2+]CCOCCN(C)c1ncccc1OC ZINC000630529112 364216275 /nfs/dbraw/zinc/21/62/75/364216275.db2.gz QRSASWDREVSYNK-UHFFFAOYSA-N 1 0 239.319 0.762 10 0 BCAERO C[NH2+]CCOCCN(C)c1cc(C)nc(C)n1 ZINC000630529949 364217039 /nfs/dbraw/zinc/21/70/39/364217039.db2.gz FPFFWBQOSVMYKV-UHFFFAOYSA-N 1 0 238.335 0.766 10 0 BCAERO [NH3+]CC1(C(=O)NCC(F)(F)F)CCOCC1 ZINC000044762248 181358477 /nfs/dbraw/zinc/35/84/77/181358477.db2.gz DLYHVICAMRWKCK-UHFFFAOYSA-N 1 0 240.225 0.420 10 0 BCAERO C[NH2+]CCOCCN(C)c1ncnc2[nH]ccc21 ZINC000630530188 364217509 /nfs/dbraw/zinc/21/75/09/364217509.db2.gz GSXISEROJPBGQO-UHFFFAOYSA-N 1 0 249.318 0.630 10 0 BCAERO C[NH2+]CCOCCN(C)c1nc(C)cnc1C ZINC000630530563 364218813 /nfs/dbraw/zinc/21/88/13/364218813.db2.gz LXRKZCFGHUPBOZ-UHFFFAOYSA-N 1 0 238.335 0.766 10 0 BCAERO C[NH2+]CCOCCN(C)c1nccc(OC)n1 ZINC000630530763 364219978 /nfs/dbraw/zinc/21/99/78/364219978.db2.gz ONIOOFIHYCRXQC-UHFFFAOYSA-N 1 0 240.307 0.157 10 0 BCAERO C[NH2+]CCOCCN(C)c1cnccn1 ZINC000630530742 364220520 /nfs/dbraw/zinc/22/05/20/364220520.db2.gz OCHRGSIWYZCDBC-UHFFFAOYSA-N 1 0 210.281 0.149 10 0 BCAERO C[C@@H]1CN(c2ncnc3c2cnn3C)C[C@H]1C[NH3+] ZINC000630576269 364274442 /nfs/dbraw/zinc/27/44/42/364274442.db2.gz XWTNLJBYVKZSAK-RKDXNWHRSA-N 1 0 246.318 0.394 10 0 BCAERO [NH3+][C@@H]1CCCCCN(c2ccc3nnnn3n2)C1 ZINC000630549037 364242308 /nfs/dbraw/zinc/24/23/08/364242308.db2.gz HIFNXOOEESKGFS-SECBINFHSA-N 1 0 247.306 0.227 10 0 BCAERO Cc1nnc(N[C@@H]2CC[NH2+][C@H]2C)nc1C ZINC000630546333 364242528 /nfs/dbraw/zinc/24/25/28/364242528.db2.gz WIAYETBCURXPCM-DTWKUNHWSA-N 1 0 207.281 0.651 10 0 BCAERO Cc1nccc(N2C[C@H](C)[C@H](C[NH3+])C2)n1 ZINC000630552386 364246191 /nfs/dbraw/zinc/24/61/91/364246191.db2.gz FAIUQBZKGXAFEQ-WCBMZHEXSA-N 1 0 206.293 0.816 10 0 BCAERO C[C@H]1CN(c2nccn3cnnc23)C[C@@H]1C[NH3+] ZINC000630552381 364246605 /nfs/dbraw/zinc/24/66/05/364246605.db2.gz FAHJXEXMCIQXFX-IUCAKERBSA-N 1 0 232.291 0.155 10 0 BCAERO CCOc1cncc(N2C[C@@H](C[NH3+])[C@H](C)C2)n1 ZINC000630552696 364246862 /nfs/dbraw/zinc/24/68/62/364246862.db2.gz GPNKJMCLHINKDN-NXEZZACHSA-N 1 0 236.319 0.906 10 0 BCAERO Cc1nccnc1N1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000630553103 364247560 /nfs/dbraw/zinc/24/75/60/364247560.db2.gz IEQIJWSDRPSROE-SCZZXKLOSA-N 1 0 206.293 0.816 10 0 BCAERO COc1cc(C)nc(N2C[C@@H](C)[C@@H](C[NH3+])C2)n1 ZINC000630553693 364249222 /nfs/dbraw/zinc/24/92/22/364249222.db2.gz KZKHJZDIJDKBQS-SCZZXKLOSA-N 1 0 236.319 0.825 10 0 BCAERO [NH3+]CC1(C(=O)Nc2ncccn2)CCC1 ZINC000082640083 181359254 /nfs/dbraw/zinc/35/92/54/181359254.db2.gz KWHHXBPULGLNQV-UHFFFAOYSA-N 1 0 206.249 0.544 10 0 BCAERO [NH3+]CC1(CN2CCOCC2)CCOCC1 ZINC000052180670 181359256 /nfs/dbraw/zinc/35/92/56/181359256.db2.gz XEWYCYPSZQPMFS-UHFFFAOYSA-N 1 0 214.309 0.074 10 0 BCAERO [NH3+]CC1(N2CCS(=O)(=O)CC2)CCCCC1 ZINC000036161137 181359889 /nfs/dbraw/zinc/35/98/89/181359889.db2.gz GLOHIZALQJNMPE-UHFFFAOYSA-N 1 0 246.376 0.378 10 0 BCAERO C[C@H]1CN(c2cn[nH]c(=O)c2Cl)C[C@@H]1C[NH3+] ZINC000630569931 364266251 /nfs/dbraw/zinc/26/62/51/364266251.db2.gz KSCWVPBPCJGMEU-BQBZGAKWSA-N 1 0 242.710 0.867 10 0 BCAERO Cc1cc(N[C@H]2CC[C@@H](C)[NH2+]C2)n2ncnc2n1 ZINC000630534693 364228004 /nfs/dbraw/zinc/22/80/04/364228004.db2.gz OLOUTUFXIIKJPI-SCZZXKLOSA-N 1 0 246.318 0.985 10 0 BCAERO CC(C)NC(=O)CNC(=O)C1CCC([NH3+])CC1 ZINC000037626194 364354144 /nfs/dbraw/zinc/35/41/44/364354144.db2.gz RKLQIMSONZAIBF-UHFFFAOYSA-N 1 0 241.335 0.145 10 0 BCAERO C[C@@H]1OCC[C@H]1[NH2+]CC(=O)N(C)C1CC1 ZINC000134543642 364405853 /nfs/dbraw/zinc/40/58/53/364405853.db2.gz BZGIPARBOFUAGP-WCBMZHEXSA-N 1 0 212.293 0.374 10 0 BCAERO C[C@H]1OCC[C@H]1[NH2+]CC(=O)N1CCCC1 ZINC000134547584 364406886 /nfs/dbraw/zinc/40/68/86/364406886.db2.gz ZPRAVGJRFFXDPD-NXEZZACHSA-N 1 0 212.293 0.376 10 0 BCAERO CCCNC(=O)[C@H](C)[NH2+][C@H]1CCO[C@@H]1C ZINC000134383280 364400870 /nfs/dbraw/zinc/40/08/70/364400870.db2.gz BSAJRQFTLIVSQN-AEJSXWLSSA-N 1 0 214.309 0.668 10 0 BCAERO CCOC(=O)CC[NH2+][C@H]1CCO[C@H]1C ZINC000134390408 364400892 /nfs/dbraw/zinc/40/08/92/364400892.db2.gz CLEVYBQLRJWOKP-IUCAKERBSA-N 1 0 201.266 0.707 10 0 BCAERO [NH3+]CC1CCN(C(=O)C2=COCCO2)CC1 ZINC000044512739 181364038 /nfs/dbraw/zinc/36/40/38/181364038.db2.gz NOAYFOQYNJASCG-UHFFFAOYSA-N 1 0 226.276 0.072 10 0 BCAERO [NH3+]CC1(c2nnc3n2CCCC3)CCC1 ZINC000083286445 181364318 /nfs/dbraw/zinc/36/43/18/181364318.db2.gz NHFGZOOHUNQUJS-UHFFFAOYSA-N 1 0 206.293 0.995 10 0 BCAERO [NH3+]CC1CCN(CC(=O)c2ccc[nH]2)CC1 ZINC000095072679 181364754 /nfs/dbraw/zinc/36/47/54/181364754.db2.gz BNQIZEHBYXWYRA-UHFFFAOYSA-N 1 0 221.304 0.868 10 0 BCAERO [NH3+]CC1CCN(C(=O)Cc2ccccn2)CC1 ZINC000044513003 181365018 /nfs/dbraw/zinc/36/50/18/181365018.db2.gz XYKAQOWKMJSRSH-UHFFFAOYSA-N 1 0 233.315 0.821 10 0 BCAERO C[C@H](OCC1CC1)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170854991 364531720 /nfs/dbraw/zinc/53/17/20/364531720.db2.gz RNDMNGBSROARFO-CMPLNLGQSA-N 1 0 240.347 0.964 10 0 BCAERO CC(C)CNC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170861763 364533828 /nfs/dbraw/zinc/53/38/28/364533828.db2.gz SEDNUONGWIBTMN-SNVBAGLBSA-N 1 0 213.325 0.988 10 0 BCAERO CCO[C@H](C)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170866267 364545737 /nfs/dbraw/zinc/54/57/37/364545737.db2.gz DFCJWZDQMIGFLC-NXEZZACHSA-N 1 0 214.309 0.574 10 0 BCAERO [NH3+]CCC(=O)N1CCN(Cc2cccnc2)CC1 ZINC000037818445 181366196 /nfs/dbraw/zinc/36/61/96/181366196.db2.gz AORMFUQQNARVMX-UHFFFAOYSA-N 1 0 248.330 0.075 10 0 BCAERO COCCC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170868396 364546673 /nfs/dbraw/zinc/54/66/73/364546673.db2.gz LOASJVORFYGVHR-SECBINFHSA-N 1 0 200.282 0.185 10 0 BCAERO CC[C@H](O)CN1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000246828779 364611710 /nfs/dbraw/zinc/61/17/10/364611710.db2.gz CROXCFRPUAOSNJ-TUAOUCFPSA-N 1 0 212.337 0.926 10 0 BCAERO C([C@H]1CCCO1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000247157617 364619575 /nfs/dbraw/zinc/61/95/75/364619575.db2.gz LZRAAQYLLHRKRS-NWDGAFQWSA-N 1 0 210.321 0.945 10 0 BCAERO [NH3+]CCC(=O)N[C@@H]1CCC[C@H]1n1ccnc1 ZINC000037045770 181369136 /nfs/dbraw/zinc/36/91/36/181369136.db2.gz CQFBBYHOWJVWFK-NXEZZACHSA-N 1 0 222.292 0.442 10 0 BCAERO NC(=O)Nc1cccc(NC(=O)CC[NH3+])c1 ZINC000037041049 181368632 /nfs/dbraw/zinc/36/86/32/181368632.db2.gz GLCLQEAYTYQPTD-UHFFFAOYSA-N 1 0 222.248 0.465 10 0 BCAERO COC(=O)[C@H](C)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000248342056 364628952 /nfs/dbraw/zinc/62/89/52/364628952.db2.gz JHJUIXHMWJHVRS-QWRGUYRKSA-N 1 0 226.320 0.718 10 0 BCAERO CCC[C@@H](C[NH2+]C1CCN(CCO)CC1)OC ZINC000399022110 364726718 /nfs/dbraw/zinc/72/67/18/364726718.db2.gz HQZJYLZUNSODDC-ZDUSSCGKSA-N 1 0 244.379 0.848 10 0 BCAERO CCc1nnc(CN2CC[C@H]([NH3+])C[C@@H]2C)n1C ZINC000573503529 364849916 /nfs/dbraw/zinc/84/99/16/364849916.db2.gz XZXLXXHVYCUFEM-UWVGGRQHSA-N 1 0 237.351 0.689 10 0 BCAERO [NH3+]CCCC(=O)NC[C@@H]1Cc2ccccc2O1 ZINC000038010057 181372976 /nfs/dbraw/zinc/37/29/76/181372976.db2.gz RQOQTDVSXCLCNR-NSHDSACASA-N 1 0 234.299 0.845 10 0 BCAERO [NH3+]CCCCCCC(=O)NCc1cn[nH]c1 ZINC000038006602 181375490 /nfs/dbraw/zinc/37/54/90/181375490.db2.gz AGFJBBSSGSTWIV-UHFFFAOYSA-N 1 0 224.308 0.935 10 0 BCAERO [NH3+]CCCCN1CCCCS1(=O)=O ZINC000020397917 181376970 /nfs/dbraw/zinc/37/69/70/181376970.db2.gz ILHMVBMGHPANDT-UHFFFAOYSA-N 1 0 206.311 0.151 10 0 BCAERO NC(=O)c1ccc(OCCCC[NH3+])cc1 ZINC000020296692 181378323 /nfs/dbraw/zinc/37/83/23/181378323.db2.gz PVACCZGWLOSFCF-UHFFFAOYSA-N 1 0 208.261 0.903 10 0 BCAERO [NH3+]CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21 ZINC000034603442 181378945 /nfs/dbraw/zinc/37/89/45/181378945.db2.gz KRWAZHNVQMITHZ-FXQIFTODSA-N 1 0 215.322 0.281 10 0 BCAERO CCC[C@@H](C)C(=O)N[C@]1(CO)CCC[NH2+]C1 ZINC000669385003 541438482 /nfs/dbraw/zinc/43/84/82/541438482.db2.gz RYMUPLYISYIFLB-ZYHUDNBSSA-N 1 0 228.336 0.653 10 0 BCAERO Cn1nnnc1N[C@@H](C[NH3+])C1CCCCC1 ZINC000168673491 364984539 /nfs/dbraw/zinc/98/45/39/364984539.db2.gz STPLXSBCQOIIMU-VIFPVBQESA-N 1 0 224.312 0.530 10 0 BCAERO [NH3+]CCCN1CCN(C(=O)C2CCC2)CC1 ZINC000037037778 181380838 /nfs/dbraw/zinc/38/08/38/181380838.db2.gz WWCCCBPZWZMRIW-UHFFFAOYSA-N 1 0 225.336 0.280 10 0 BCAERO Nc1ccc(F)cc1C(=O)NCCC[NH3+] ZINC000040832394 181381815 /nfs/dbraw/zinc/38/18/15/181381815.db2.gz IPGFPPQKVNLOKY-UHFFFAOYSA-N 1 0 211.240 0.487 10 0 BCAERO [NH3+]CCCNC(=O)c1ccc(-c2ncon2)cc1 ZINC000237804023 181382570 /nfs/dbraw/zinc/38/25/70/181382570.db2.gz BMAYJAUCOHWGOB-UHFFFAOYSA-N 1 0 246.270 0.815 10 0 BCAERO [NH3+]CCCN[C@H]1COc2cc(O)ccc21 ZINC000037713359 181383592 /nfs/dbraw/zinc/38/35/92/181383592.db2.gz GXFVBTCCPJDKBP-JTQLQIEISA-N 1 0 208.261 0.764 10 0 BCAERO CCN1CCO[C@H](C[NH2+][C@H](C)[C@@H]2CCCO2)C1 ZINC000252644947 541451201 /nfs/dbraw/zinc/45/12/01/541451201.db2.gz POSFNPFONUEWAD-UPJWGTAASA-N 1 0 242.363 0.864 10 0 BCAERO CCN1CCO[C@H](C[NH2+][C@@H](C)[C@H]2CCCO2)C1 ZINC000252644948 541451206 /nfs/dbraw/zinc/45/12/06/541451206.db2.gz POSFNPFONUEWAD-YNEHKIRRSA-N 1 0 242.363 0.864 10 0 BCAERO [NH3+]CCCS(=O)(=O)N1CCc2ccccc21 ZINC000020180074 181384282 /nfs/dbraw/zinc/38/42/82/181384282.db2.gz QUWSUBDZKTWFLT-UHFFFAOYSA-N 1 0 240.328 0.728 10 0 BCAERO [NH3+]CCCS(=O)(=O)c1cccs1 ZINC000011897020 181384319 /nfs/dbraw/zinc/38/43/19/181384319.db2.gz ZBYXLLXBSSJIBE-UHFFFAOYSA-N 1 0 205.304 0.871 10 0 BCAERO [NH3+]CCCc1nc2c(s1)CS(=O)(=O)CC2 ZINC000054139443 181387142 /nfs/dbraw/zinc/38/71/42/181387142.db2.gz WTSBXNZNAFYALI-UHFFFAOYSA-N 1 0 246.357 0.505 10 0 BCAERO [NH3+]CCCc1noc([C@@H]2CCCOC2)n1 ZINC000062243600 181388002 /nfs/dbraw/zinc/38/80/02/181388002.db2.gz ZUIMNIPPQYJNLH-MRVPVSSYSA-N 1 0 211.265 0.855 10 0 BCAERO [NH3+]CCCn1c(=O)cnc2ccccc21 ZINC000019390892 181388348 /nfs/dbraw/zinc/38/83/48/181388348.db2.gz SJPKKNHOALTOQS-UHFFFAOYSA-N 1 0 203.245 0.745 10 0 BCAERO CC1CC(C(=O)N2CCCO[C@H](C[NH3+])C2)C1 ZINC000574276293 365026132 /nfs/dbraw/zinc/02/61/32/365026132.db2.gz TVPUBHBABNSGAU-VQXHTEKXSA-N 1 0 226.320 0.609 10 0 BCAERO [NH3+]CCN(C(=O)C1CCOCC1)C1CC1 ZINC000061670929 181390212 /nfs/dbraw/zinc/39/02/12/181390212.db2.gz WTJIEEITOVONPC-UHFFFAOYSA-N 1 0 212.293 0.363 10 0 BCAERO [NH3+]CCN(C(=O)[C@H]1CCCOC1)C1CC1 ZINC000062192463 181390217 /nfs/dbraw/zinc/39/02/17/181390217.db2.gz HHTRYEPLNANLAO-VIFPVBQESA-N 1 0 212.293 0.363 10 0 BCAERO [NH3+]CCN1CCN(C(=O)Nc2ccccc2)CC1 ZINC000037039308 181391713 /nfs/dbraw/zinc/39/17/13/181391713.db2.gz UHXDMPFQPCSBCJ-UHFFFAOYSA-N 1 0 248.330 0.795 10 0 BCAERO [NH3+]CCNC(=O)c1ccc(-n2ccnc2)cc1 ZINC000040465001 181395699 /nfs/dbraw/zinc/39/56/99/181395699.db2.gz RVRQKBILOQZRIG-UHFFFAOYSA-N 1 0 230.271 0.561 10 0 BCAERO CCN1CCO[C@@H](C[NH2+][C@H](COC)C(C)C)C1 ZINC000252646866 541451675 /nfs/dbraw/zinc/45/16/75/541451675.db2.gz SPCCRUGKPDZWHL-QWHCGFSZSA-N 1 0 244.379 0.968 10 0 BCAERO [NH3+]CCN[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000035688492 181396977 /nfs/dbraw/zinc/39/69/77/181396977.db2.gz IYKALNNAKOMUBG-SECBINFHSA-N 1 0 226.301 0.063 10 0 BCAERO CO[C@H](C)CCC(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000574630720 365105441 /nfs/dbraw/zinc/10/54/41/365105441.db2.gz PLPBXVNOLKREKR-OUAUKWLOSA-N 1 0 242.319 0.001 10 0 BCAERO NC(=O)c1ccc(NCC[NH3+])cc1Cl ZINC000061846907 181398750 /nfs/dbraw/zinc/39/87/50/181398750.db2.gz UHYFWZZOADXXEI-UHFFFAOYSA-N 1 0 213.668 0.810 10 0 BCAERO [NH3+]CCOCCS(=O)(=O)c1ccccc1 ZINC000057518188 181398876 /nfs/dbraw/zinc/39/88/76/181398876.db2.gz WYUUZMWAWDUVSP-UHFFFAOYSA-N 1 0 229.301 0.436 10 0 BCAERO [NH3+]CCOCCNC(=O)Nc1ccccc1F ZINC000104316833 181399087 /nfs/dbraw/zinc/39/90/87/181399087.db2.gz GFVZDYJLDMUDMO-UHFFFAOYSA-N 1 0 241.266 0.923 10 0 BCAERO [NH3+]CCS(=O)(=O)Nc1ccc(F)cc1 ZINC000011584705 181402092 /nfs/dbraw/zinc/40/20/92/181402092.db2.gz AZWXPBUHIHOIBB-UHFFFAOYSA-N 1 0 218.253 0.526 10 0 BCAERO C([C@@H]1CCCOC1)[N@@H+]1CC[C@H]2OCCN[C@@H]2C1 ZINC000575046226 365170966 /nfs/dbraw/zinc/17/09/66/365170966.db2.gz HKMLPMPLQXVBGR-YNEHKIRRSA-N 1 0 240.347 0.476 10 0 BCAERO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCCCO ZINC000171143987 365171534 /nfs/dbraw/zinc/17/15/34/365171534.db2.gz KQIQYMILXZVTMX-LLVKDONJSA-N 1 0 228.336 0.702 10 0 BCAERO Nc1ccccc1-c1n[nH]c(CC[NH3+])n1 ZINC000072236544 181413588 /nfs/dbraw/zinc/41/35/88/181413588.db2.gz GWWQXVZHZSLWGY-UHFFFAOYSA-N 1 0 203.249 0.555 10 0 BCAERO [NH3+]C[C@@H](O)Cn1ccc(=O)c2ccccc21 ZINC000043373530 181422157 /nfs/dbraw/zinc/42/21/57/181422157.db2.gz KDOPJCIABVTUIE-SECBINFHSA-N 1 0 218.256 0.321 10 0 BCAERO COC[C@H](C)C(=O)N(C)C1CC[NH+](C)CC1 ZINC000171520193 365209661 /nfs/dbraw/zinc/20/96/61/365209661.db2.gz YILBLKNXCQNFHI-JTQLQIEISA-N 1 0 228.336 0.822 10 0 BCAERO CCc1nnc(CN(C)C2CC([NH3+])C2)n1C ZINC000575124203 365213128 /nfs/dbraw/zinc/21/31/28/365213128.db2.gz VAGBJPOAJQTPHG-UHFFFAOYSA-N 1 0 223.324 0.299 10 0 BCAERO [NH3+]C[C@@H]1CCCC[C@@H]1N1CCS(=O)(=O)CC1 ZINC000036159939 181427831 /nfs/dbraw/zinc/42/78/31/181427831.db2.gz AEDYYFUZSWMQLI-QWRGUYRKSA-N 1 0 246.376 0.234 10 0 BCAERO [NH2+]=C(NO)c1ccc2[nH]c(CO)cc2c1 ZINC000116654270 370810030 /nfs/dbraw/zinc/81/00/30/370810030.db2.gz ZRXJKUSJWFXELS-UHFFFAOYSA-N 1 0 205.217 0.964 10 0 BCAERO C[NH+](C)[C@H]1CCN(C(=O)CC2(O)CCCC2)C1 ZINC000174584551 365498731 /nfs/dbraw/zinc/49/87/31/365498731.db2.gz CLUMYTGQYXGJAI-NSHDSACASA-N 1 0 240.347 0.844 10 0 BCAERO OC[C@H]1C[C@H](O)C[N@@H+]1Cc1cnc2ccccn12 ZINC000184005275 367060036 /nfs/dbraw/zinc/06/00/36/367060036.db2.gz WQFANJPXYWKTGS-PWSUYJOCSA-N 1 0 247.298 0.262 10 0 BCAERO OC[C@H]1C[C@@H](O)C[N@@H+]1Cc1cnc2ccccn12 ZINC000184005250 367060480 /nfs/dbraw/zinc/06/04/80/367060480.db2.gz WQFANJPXYWKTGS-ZYHUDNBSSA-N 1 0 247.298 0.262 10 0 BCAERO CC[N@H+](C)C[C@H](O)CN1[C@H](C)COC[C@H]1C ZINC000579910657 367072756 /nfs/dbraw/zinc/07/27/56/367072756.db2.gz PLPOBUBFALKGBU-UTUOFQBUSA-N 1 0 230.352 0.408 10 0 BCAERO CCc1nnc(CN2CCC[C@@H](C[NH3+])C2)n1C ZINC000581132481 367272301 /nfs/dbraw/zinc/27/23/01/367272301.db2.gz KHAHMWNVQYFGIB-JTQLQIEISA-N 1 0 237.351 0.548 10 0 BCAERO C[C@@H]1OCCN(C(=O)[C@]2(C)CCC[NH2+]2)[C@H]1C ZINC000380536511 367231394 /nfs/dbraw/zinc/23/13/94/367231394.db2.gz OXKOUBJMAMFALA-NHCYSSNCSA-N 1 0 226.320 0.764 10 0 BCAERO CCn1ccnc1Cn1nc(SC)[n-]c1=O ZINC000194574587 367305018 /nfs/dbraw/zinc/30/50/18/367305018.db2.gz UTGDGTUEIKYYDR-UHFFFAOYSA-N 1 0 239.304 0.558 10 0 BCAERO C[C@@H]1C[C@@H]1C[N@@H+]1CC[C@@H]2OCCN[C@@H]2C1 ZINC000381572143 367431173 /nfs/dbraw/zinc/43/11/73/367431173.db2.gz XUNDCHDTARYPPS-KKOKHZNYSA-N 1 0 210.321 0.705 10 0 BCAERO C[C@H]([NH3+])[C@H](C)Nc1ncccc1S(C)(=O)=O ZINC000381603119 367436068 /nfs/dbraw/zinc/43/60/68/367436068.db2.gz NNNPJWLZVQLQQV-YUMQZZPRSA-N 1 0 243.332 0.633 10 0 BCAERO O=C1NC[C@@H](C[NH2+][C@@H](CO)c2ccsc2)O1 ZINC000381792653 367458484 /nfs/dbraw/zinc/45/84/84/367458484.db2.gz ANNJDAVFQLQAGJ-BDAKNGLRSA-N 1 0 242.300 0.480 10 0 BCAERO O=C1NC[C@H](C[NH2+][C@H](CO)c2ccsc2)O1 ZINC000381792654 367458521 /nfs/dbraw/zinc/45/85/21/367458521.db2.gz ANNJDAVFQLQAGJ-DTWKUNHWSA-N 1 0 242.300 0.480 10 0 BCAERO COC(=O)[C@H](C)CNC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000262633131 325906578 /nfs/dbraw/zinc/90/65/78/325906578.db2.gz XKCQOVNEVXVXOO-VGMNWLOBSA-N 1 0 228.292 0.039 10 0 BCAERO COC(=O)c1ccc(N(C)[C@H](C)C[NH3+])nc1C ZINC000383017064 367585218 /nfs/dbraw/zinc/58/52/18/367585218.db2.gz JSGFSOCTCCQBGQ-MRVPVSSYSA-N 1 0 237.303 0.960 10 0 BCAERO C[C@@H](O)C1CCN(C(=O)[C@H](C)[NH2+]C2CC2)CC1 ZINC000382964369 367575014 /nfs/dbraw/zinc/57/50/14/367575014.db2.gz ACTWGLZHGRTFBC-VHSXEESVSA-N 1 0 240.347 0.746 10 0 BCAERO CC[N@H+](C)C[C@H](O)CN1C[C@@H]2CCC[C@H]21 ZINC000581555893 367587453 /nfs/dbraw/zinc/58/74/53/367587453.db2.gz AOIRLPBHJNTGAL-SDDRHHMPSA-N 1 0 212.337 0.783 10 0 BCAERO Cc1ncc(NC(=O)[C@@H]2C[NH2+]C[C@H]2C)cn1 ZINC000384185917 367674406 /nfs/dbraw/zinc/67/44/06/367674406.db2.gz SIXSOLFFWSNKAX-GMSGAONNSA-N 1 0 220.276 0.579 10 0 BCAERO COC(=O)CCCNC(=O)[C@H]1CCC[NH2+][C@H]1C ZINC000384480153 367692367 /nfs/dbraw/zinc/69/23/67/367692367.db2.gz POEBIDSBPLQHJL-UWVGGRQHSA-N 1 0 242.319 0.444 10 0 BCAERO CN(c1ccc2nccnc2n1)C1CC([NH3+])C1 ZINC000384763764 367729188 /nfs/dbraw/zinc/72/91/88/367729188.db2.gz QQGIKETVNJFURJ-UHFFFAOYSA-N 1 0 229.287 0.951 10 0 BCAERO [NH3+]C[C@@H]1CCCC[C@@H]1N1CCS(=O)CC1 ZINC000049691370 181428688 /nfs/dbraw/zinc/42/86/88/181428688.db2.gz ZENWQNSNERMUSP-QWRGUYRKSA-N 1 0 230.377 0.568 10 0 BCAERO [NH3+]C[C@@H]1CCCN1CC(=O)c1ccccn1 ZINC000095072621 181430824 /nfs/dbraw/zinc/43/08/24/181430824.db2.gz QUFLLAWCSOTHQM-JTQLQIEISA-N 1 0 219.288 0.687 10 0 BCAERO CC(C)CNC(=O)C[N@@H+]1CCC[C@@H](O)[C@@H]1C ZINC000384955376 367764458 /nfs/dbraw/zinc/76/44/58/367764458.db2.gz GRTQRELLWIAZQO-WDEREUQCSA-N 1 0 228.336 0.604 10 0 BCAERO [NH3+]C[C@@H]1CCN(c2ccc(Cl)nn2)C1 ZINC000050249464 181434039 /nfs/dbraw/zinc/43/40/39/181434039.db2.gz TXMMOWDSQLDRTP-ZETCQYMHSA-N 1 0 212.684 0.915 10 0 BCAERO CC[C@H](C)NC(=O)C[N@@H+]1CCC[C@@H](O)[C@@H]1C ZINC000385010482 367772594 /nfs/dbraw/zinc/77/25/94/367772594.db2.gz NFRBVCWHJUIMMJ-GARJFASQSA-N 1 0 228.336 0.746 10 0 BCAERO Cc1nnc2c(N3C[C@@H]([NH3+])C[C@H]3C)nccn12 ZINC000385084848 367786105 /nfs/dbraw/zinc/78/61/05/367786105.db2.gz HXKAILGWEOQNPL-APPZFPTMSA-N 1 0 232.291 0.359 10 0 BCAERO CCN(CC(F)F)C(=O)[C@@H]1CC[NH2+]C1 ZINC000386168223 367922639 /nfs/dbraw/zinc/92/26/39/367922639.db2.gz CNCZSVJPUYVWEN-SSDOTTSWSA-N 1 0 206.236 0.710 10 0 BCAERO Cn1nccc1CNC[C@H]1CCC[NH2+]C1 ZINC000087647202 367948522 /nfs/dbraw/zinc/94/85/22/367948522.db2.gz GROZYHISTFZKMJ-JTQLQIEISA-N 1 0 208.309 0.509 10 0 BCAERO CO[C@H]1[C@H](OC2CCOCC2)C[C@@H]1[NH3+] ZINC000252857803 368162580 /nfs/dbraw/zinc/16/25/80/368162580.db2.gz MNPSJHRRCNWQTI-IVZWLZJFSA-N 1 0 201.266 0.297 10 0 BCAERO CN1CCO[C@@H](C[NH3+])[C@H]1c1cscn1 ZINC000252914578 368167347 /nfs/dbraw/zinc/16/73/47/368167347.db2.gz RNAZFNGUTDWJHG-DTWKUNHWSA-N 1 0 213.306 0.474 10 0 BCAERO C[C@@H](C[S@](C)=O)N1CC[NH2+][C@H](C)CC1 ZINC000252950331 368171003 /nfs/dbraw/zinc/17/10/03/368171003.db2.gz OPDQXOUTJIWJFI-BFVZDQMLSA-N 1 0 218.366 0.437 10 0 BCAERO C[C@H]([NH3+])C(=O)N[C@H]1CCCCC[C@H]1O ZINC000130757321 368141688 /nfs/dbraw/zinc/14/16/88/368141688.db2.gz PRQXTCIOSGDSNL-XHNCKOQMSA-N 1 0 200.282 0.143 10 0 BCAERO CCNC(=O)CN(C)C(=O)C1CCC([NH3+])CC1 ZINC000037821911 368147157 /nfs/dbraw/zinc/14/71/57/368147157.db2.gz FXGMEKBTMFFUGS-UHFFFAOYSA-N 1 0 241.335 0.098 10 0 BCAERO CCC[C@@](C)(NC(=O)[C@@H](C)[NH2+]C)C(=O)OC ZINC000582013470 368152414 /nfs/dbraw/zinc/15/24/14/368152414.db2.gz NEPYMOZIARRLGM-LDYMZIIASA-N 1 0 230.308 0.442 10 0 BCAERO C[C@@H](CO)[NH+]1CCN(c2ccccn2)CC1 ZINC000039615801 368276417 /nfs/dbraw/zinc/27/64/17/368276417.db2.gz GQDKXHXNOBBASA-NSHDSACASA-N 1 0 221.304 0.584 10 0 BCAERO C[C@@H]([NH3+])C(=O)Nc1ccnc(Cl)n1 ZINC000161414298 368379815 /nfs/dbraw/zinc/37/98/15/368379815.db2.gz JTCFDSGFHMBYNA-SCSAIBSYSA-N 1 0 200.629 0.416 10 0 BCAERO CC(C)(C)OC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000167194586 368394746 /nfs/dbraw/zinc/39/47/46/368394746.db2.gz FDBGUEUAWVKSRM-KWQFWETISA-N 1 0 213.277 0.564 10 0 BCAERO CC(C)(C)OC(=O)N1CCO[C@@H]2CC[NH2+]C[C@H]21 ZINC000214944712 368400791 /nfs/dbraw/zinc/40/07/91/368400791.db2.gz OAJIQHJOQXQMMQ-NXEZZACHSA-N 1 0 242.319 0.984 10 0 BCAERO C[C@@H]1C[C@H](C)[C@@H](C)[N@@H+]([C@H](C[NH3+])C(=O)[O-])C1 ZINC000253100456 368483019 /nfs/dbraw/zinc/48/30/19/368483019.db2.gz QCIPQGLLCXMQQL-UTINFBMNSA-N 1 0 214.309 0.765 10 0 BCAERO [NH3+]C[C@@H]1CCN(c2ncc(Cl)cn2)C1 ZINC000095072656 181436100 /nfs/dbraw/zinc/43/61/00/181436100.db2.gz PHVKDRGGTOPRPU-ZETCQYMHSA-N 1 0 212.684 0.915 10 0 BCAERO C[C@@H]1C[C@H](C)[C@H](C)[N@@H+]([C@H](CN)CO)C1 ZINC000253105501 368491517 /nfs/dbraw/zinc/49/15/17/368491517.db2.gz TUSXKCJBANABEX-VPOLOUISSA-N 1 0 200.326 0.672 10 0 BCAERO CC[C@@H]([NH3+])C(=O)N[C@H]1CC[C@H](O)CC1 ZINC000253140603 368542245 /nfs/dbraw/zinc/54/22/45/368542245.db2.gz WQHAWBHLCOKBHK-IWSPIJDZSA-N 1 0 200.282 0.143 10 0 BCAERO C[C@H]([NH3+])CC(=O)N[C@H]1CC[C@H](O)CC1 ZINC000253132636 368542403 /nfs/dbraw/zinc/54/24/03/368542403.db2.gz PQDJCNPGUZHFDQ-CIUDSAMLSA-N 1 0 200.282 0.143 10 0 BCAERO C[C@H]([NH3+])CC(=O)Nc1ccnc(Cl)n1 ZINC000161420275 368626279 /nfs/dbraw/zinc/62/62/79/368626279.db2.gz XBFNVQFGIPZUSB-YFKPBYRVSA-N 1 0 214.656 0.806 10 0 BCAERO CCCN(C(=O)c1nc[nH]n1)[C@H]1CC[NH2+]C1 ZINC000082504938 368690884 /nfs/dbraw/zinc/69/08/84/368690884.db2.gz GFVHSJKCBAWSLB-QMMMGPOBSA-N 1 0 223.280 0.019 10 0 BCAERO Cc1cc(CNC(=O)[C@@H]2C[NH2+]C[C@H]2C)no1 ZINC000082559938 368693054 /nfs/dbraw/zinc/69/30/54/368693054.db2.gz RTQVSUMVHHKNJU-GMSGAONNSA-N 1 0 223.276 0.455 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@@H]1CCCO1 ZINC000082558909 368693130 /nfs/dbraw/zinc/69/31/30/368693130.db2.gz VTTBEBUVADKJPG-KXUCPTDWSA-N 1 0 212.293 0.137 10 0 BCAERO C[NH+]1CCN(c2ncnc3ccc(N)cc32)CC1 ZINC000081588995 370901579 /nfs/dbraw/zinc/90/15/79/370901579.db2.gz UIMGUNWHHBSISY-UHFFFAOYSA-N 1 0 243.314 0.964 10 0 BCAERO COC(=O)[C@@H]1CCN(C[C@@H]2CCC[N@@H+]2C)C1 ZINC000259649943 370928221 /nfs/dbraw/zinc/92/82/21/370928221.db2.gz BMUAOJWOYQOELZ-MNOVXSKESA-N 1 0 226.320 0.576 10 0 BCAERO O=C(NCCN1CC=CCC1)[C@@H]1CCC[NH2+]1 ZINC000083887486 368835092 /nfs/dbraw/zinc/83/50/92/368835092.db2.gz ZJAQZJOHFWHBIZ-NSHDSACASA-N 1 0 223.320 0.117 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N(C)Cc1nccn1C ZINC000112173199 368867458 /nfs/dbraw/zinc/86/74/58/368867458.db2.gz RUOTUSKSKHOCMC-NXEZZACHSA-N 1 0 236.319 0.234 10 0 BCAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1nncn1C ZINC000113266876 368888075 /nfs/dbraw/zinc/88/80/75/368888075.db2.gz CCPMALMBCUTKQK-GHMZBOCLSA-N 1 0 235.335 0.484 10 0 BCAERO OCC(CO)[NH2+]Cc1ccc2ccccc2n1 ZINC000087749897 368896267 /nfs/dbraw/zinc/89/62/67/368896267.db2.gz NVROXRBAIQPCOB-UHFFFAOYSA-N 1 0 232.283 0.678 10 0 BCAERO COC(=O)[C@H]1CCCN1C[C@@H]1CCC[N@@H+]1C ZINC000387501151 368907360 /nfs/dbraw/zinc/90/73/60/368907360.db2.gz XQYBMVKCBOQNAO-WDEREUQCSA-N 1 0 226.320 0.718 10 0 BCAERO Cn1nnnc1N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000084213496 368850182 /nfs/dbraw/zinc/85/01/82/368850182.db2.gz LGGXORXLJKXOJK-JGVFFNPUSA-N 1 0 210.285 0.140 10 0 BCAERO Cn1nnnc1N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000084213494 368851231 /nfs/dbraw/zinc/85/12/31/368851231.db2.gz LGGXORXLJKXOJK-HTQZYQBOSA-N 1 0 210.285 0.140 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1cccc(C(N)=O)c1 ZINC000111271530 368853521 /nfs/dbraw/zinc/85/35/21/368853521.db2.gz GFKOGAKQRBBIML-LDYMZIIASA-N 1 0 247.298 0.580 10 0 BCAERO CCn1nccc1C[NH2+][C@@H]1CCOC[C@@H]1O ZINC000623766212 368996563 /nfs/dbraw/zinc/99/65/63/368996563.db2.gz BZXPAJSRPKYELM-MNOVXSKESA-N 1 0 225.292 0.142 10 0 BCAERO O[C@@H]1COCC[C@@H]1[NH2+][C@H]1CCCSC1 ZINC000623766534 369030112 /nfs/dbraw/zinc/03/01/12/369030112.db2.gz HWLHTOUZDLGLPJ-LPEHRKFASA-N 1 0 217.334 0.621 10 0 BCAERO [NH3+]C[C@@H]1CO[C@@H](c2ccc3c(c2)OCO3)O1 ZINC000049819101 181438046 /nfs/dbraw/zinc/43/80/46/181438046.db2.gz MOWODOVPZJCBEG-LDYMZIIASA-N 1 0 223.228 0.788 10 0 BCAERO [NH3+]C[C@@H]1CN(c2nc3ccccc3o2)CCO1 ZINC000041162039 181438939 /nfs/dbraw/zinc/43/89/39/181438939.db2.gz XDINBOJEHARLQM-SECBINFHSA-N 1 0 233.271 0.992 10 0 BCAERO C[NH2+][C@H](C)C(=O)N1C[C@H](C)OC[C@@H]1C ZINC000054072283 369054802 /nfs/dbraw/zinc/05/48/02/369054802.db2.gz CAYCFDGBOKLZNT-XHNCKOQMSA-N 1 0 200.282 0.230 10 0 BCAERO Cc1cnn(CC[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC000631838664 369120040 /nfs/dbraw/zinc/12/00/40/369120040.db2.gz SKXJRDRUHUSHPI-VXGBXAGGSA-N 1 0 222.336 0.718 10 0 BCAERO [NH3+]C[C@H](c1ccccn1)N1CCC[C@H](O)C1 ZINC000043339353 181455424 /nfs/dbraw/zinc/45/54/24/181455424.db2.gz MERGDWGRYNJRGH-CMPLNLGQSA-N 1 0 221.304 0.538 10 0 BCAERO Nc1ncccc1[C@@H]1C[N@H+](CCO)CCCO1 ZINC000616681679 369111148 /nfs/dbraw/zinc/11/11/48/369111148.db2.gz SLTCJSSVTZMHEV-NSHDSACASA-N 1 0 237.303 0.420 10 0 BCAERO [NH3+]C[C@H]1CCN(CC(=O)c2ccco2)C1 ZINC000050250146 181464725 /nfs/dbraw/zinc/46/47/25/181464725.db2.gz MYLYUXLZZHBMRG-SECBINFHSA-N 1 0 208.261 0.743 10 0 BCAERO [NH3+]C[C@]1(O)C(c2ccccc2)=CC=C[C@H]1O ZINC000039097595 181471270 /nfs/dbraw/zinc/47/12/70/181471270.db2.gz KFSUPIZWFZNOSV-OLZOCXBDSA-N 1 0 217.268 0.691 10 0 BCAERO [NH3+]C[C@H]1CCC[C@H]1NC(=O)Cc1cc[nH]n1 ZINC000262581160 181462002 /nfs/dbraw/zinc/46/20/02/181462002.db2.gz LZTXMIDSMNVYMQ-PSASIEDQSA-N 1 0 222.292 0.196 10 0 BCAERO Cc1cnccc1C[NH2+][C@@H]1CCOC[C@@H]1O ZINC000623766926 369214978 /nfs/dbraw/zinc/21/49/78/369214978.db2.gz NUBPQZNTJMXXRG-NEPJUHHUSA-N 1 0 222.288 0.629 10 0 BCAERO CC1(C)C[C@@H]([NH3+])CCN1S(C)(=O)=O ZINC000106887027 369215009 /nfs/dbraw/zinc/21/50/09/369215009.db2.gz WGXSEEWLMRCVOG-ZETCQYMHSA-N 1 0 206.311 0.148 10 0 BCAERO CCC[C@@H](C(=O)N[C@H](C)CCO)[NH+](C)C ZINC000155779255 326211074 /nfs/dbraw/zinc/21/10/74/326211074.db2.gz NKJAMVJGTLSMRD-ZJUUUORDSA-N 1 0 216.325 0.604 10 0 BCAERO CC(C)(C)C(=O)N1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC000403997807 369417258 /nfs/dbraw/zinc/41/72/58/369417258.db2.gz GVFMXPCNIJHYKI-ZJUUUORDSA-N 1 0 226.320 0.622 10 0 BCAERO CC(C)[C@H](C)C(=O)N1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC000403999633 369417549 /nfs/dbraw/zinc/41/75/49/369417549.db2.gz MLQXBERXMMQMEU-SRVKXCTJSA-N 1 0 240.347 0.868 10 0 BCAERO c1cnc(N2CC[C@@H]3OCC[NH2+][C@@H]3C2)cn1 ZINC000404081412 369418718 /nfs/dbraw/zinc/41/87/18/369418718.db2.gz SMKWZMUPAQQZKG-ZJUUUORDSA-N 1 0 220.276 0.044 10 0 BCAERO O=C(C1CCC1)N1CC[C@H]2OCC[NH2+][C@H]2C1 ZINC000404089619 369418885 /nfs/dbraw/zinc/41/88/85/369418885.db2.gz VWUAGWGKAQLNOG-WDEREUQCSA-N 1 0 224.304 0.376 10 0 BCAERO c1ncc(CN2CC[C@H]3OCC[NH2+][C@H]3C2)s1 ZINC000404191258 369422546 /nfs/dbraw/zinc/42/25/46/369422546.db2.gz LEOHHCJFWXPTPK-WDEREUQCSA-N 1 0 239.344 0.706 10 0 BCAERO C[NH+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CC[NH2+]C1 ZINC000404938137 369439807 /nfs/dbraw/zinc/43/98/07/369439807.db2.gz DBZFSGUVQIQLDQ-NEPJUHHUSA-N 1 0 239.363 0.539 10 0 BCAERO COC(=O)[C@@H]1CCCN(C(=O)[C@H]2CCC[NH2+]2)C1 ZINC000082257928 370975841 /nfs/dbraw/zinc/97/58/41/370975841.db2.gz NGMDGIAZFNRFDD-NXEZZACHSA-N 1 0 240.303 0.150 10 0 BCAERO CC(C)n1nnnc1CN1C[C@@H]([NH3+])C[C@H]1C ZINC000631862204 369486164 /nfs/dbraw/zinc/48/61/64/369486164.db2.gz NDXJHWCOEBOHDJ-BDAKNGLRSA-N 1 0 224.312 0.176 10 0 BCAERO [NH3+]Cc1ccc(C(=O)NCc2cn[nH]c2)cc1 ZINC000038006560 181481435 /nfs/dbraw/zinc/48/14/35/181481435.db2.gz JTCOEOWJFXXAPH-UHFFFAOYSA-N 1 0 230.271 0.798 10 0 BCAERO [NH3+]Cc1ccc(CC(=O)NC2CCOCC2)cc1 ZINC000104115702 181481882 /nfs/dbraw/zinc/48/18/82/181481882.db2.gz TVBUUOCRBBLRSN-UHFFFAOYSA-N 1 0 248.326 0.983 10 0 BCAERO [NH3+]Cc1ccc(O[C@H]2CCOC2=O)cc1 ZINC000037698880 181485257 /nfs/dbraw/zinc/48/52/57/181485257.db2.gz FUHSSOJHAYGXFL-JTQLQIEISA-N 1 0 207.229 0.840 10 0 BCAERO CCc1nnc(CN2C[C@H]([NH3+])C[C@H]2C)n1C ZINC000631862597 369573109 /nfs/dbraw/zinc/57/31/09/369573109.db2.gz RMYASMWURGCZNR-RKDXNWHRSA-N 1 0 223.324 0.299 10 0 BCAERO C[C@@H](Cc1ccccc1)[NH2+]C[C@H](O)CO ZINC000062186589 369981186 /nfs/dbraw/zinc/98/11/86/369981186.db2.gz DNSFGWHXSSHUKJ-JQWIXIFHSA-N 1 0 209.289 0.560 10 0 BCAERO CC(C)(C)OC(=O)N1C[C@H]2C[NH2+]CCO[C@@H]2C1 ZINC000238209761 259543084 /nfs/dbraw/zinc/54/30/84/259543084.db2.gz XAZLYQXWLXXDDU-NXEZZACHSA-N 1 0 242.319 0.842 10 0 BCAERO Cc1c(C=O)[nH]c2c1C(=O)N(CC[NH+](C)C)CC2 ZINC000113220375 370389304 /nfs/dbraw/zinc/38/93/04/370389304.db2.gz NTJZUEOJAAKFGY-UHFFFAOYSA-N 1 0 249.314 0.696 10 0 BCAERO O=C(NCC[C@H]1CC1(F)F)[C@@H]1CC[NH2+]C1 ZINC000621670450 370419766 /nfs/dbraw/zinc/41/97/66/370419766.db2.gz NWQHIFFWYBTJMT-SFYZADRCSA-N 1 0 218.247 0.757 10 0 BCAERO CC[N@H+](C)[C@@H]1CCC[C@@]([NH3+])(C(=O)[O-])C1 ZINC000225515752 370999156 /nfs/dbraw/zinc/99/91/56/370999156.db2.gz UQRBKNVBQOZBRD-SCZZXKLOSA-N 1 0 200.282 0.663 10 0 BCAERO [NH3+]Cc1nnnn1-c1ccc(Cl)c(F)c1 ZINC000054762545 181507602 /nfs/dbraw/zinc/50/76/02/181507602.db2.gz OFROJXBHRAWHNQ-UHFFFAOYSA-N 1 0 227.630 0.914 10 0 BCAERO C[N@H+](C1CC1)[C@H]1CCC[C@@]([NH3+])(C(=O)[O-])C1 ZINC000225516397 371000176 /nfs/dbraw/zinc/00/01/76/371000176.db2.gz HESJZNYMNPJORE-ONGXEEELSA-N 1 0 212.293 0.805 10 0 BCAERO CC(C)C[NH+]1CCN(C(N)=S)CC1 ZINC000002457046 371050150 /nfs/dbraw/zinc/05/01/50/371050150.db2.gz KTJJNFJEHXFUJP-UHFFFAOYSA-N 1 0 201.339 0.504 10 0 BCAERO CN(C)C1(CC[NH3+])CN(C(=O)OC(C)(C)C)C1 ZINC000092511324 371101011 /nfs/dbraw/zinc/10/10/11/371101011.db2.gz MOGYDAOHFUTPRH-UHFFFAOYSA-N 1 0 243.351 0.886 10 0 BCAERO COC[C@@H]1CN(C(=O)[C@]2(C)CCC[NH2+]2)CCO1 ZINC000569003252 326386321 /nfs/dbraw/zinc/38/63/21/326386321.db2.gz XIYATWVHJRMNTQ-JQWIXIFHSA-N 1 0 242.319 0.002 10 0 BCAERO COC(=O)c1ccc(N[C@@H]2CC[NH2+]C2)nc1C ZINC000124433493 371189092 /nfs/dbraw/zinc/18/90/92/371189092.db2.gz NMFZPQYWLFFWHK-SECBINFHSA-N 1 0 235.287 0.950 10 0 BCAERO C[NH2+][C@H]1CCN(c2ccc(C(=O)OC)c(C)n2)C1 ZINC000124451646 371191602 /nfs/dbraw/zinc/19/16/02/371191602.db2.gz KJTFBQKZUKXYKU-JTQLQIEISA-N 1 0 249.314 0.975 10 0 BCAERO COc1cc(NC[C@H]2C[NH2+]CCCO2)ncn1 ZINC000389873495 371179096 /nfs/dbraw/zinc/17/90/96/371179096.db2.gz CRHBIPLSEIOFNG-SECBINFHSA-N 1 0 238.291 0.276 10 0 BCAERO [NH3+][C@@H]1CCC(=O)N[C@@H]1c1ccc2c(c1)OCCO2 ZINC000071562818 181572005 /nfs/dbraw/zinc/57/20/05/181572005.db2.gz GWGCXTBQWCBIBM-NOZJJQNGSA-N 1 0 248.282 0.736 10 0 BCAERO [NH3+][C@@H]1CCCC[C@@H]1NC(=O)c1ccc[nH]c1=O ZINC000038049127 181575582 /nfs/dbraw/zinc/57/55/82/181575582.db2.gz UJGUCGIPPATBDU-ZJUUUORDSA-N 1 0 235.287 0.787 10 0 BCAERO COC(=O)CCCCC(=O)N1CCC[C@H]([NH3+])C1 ZINC000390822605 371237148 /nfs/dbraw/zinc/23/71/48/371237148.db2.gz DRABHYWMGOIQRU-JTQLQIEISA-N 1 0 242.319 0.670 10 0 BCAERO [NH3+][C@@H]1CCN(c2nc3ncccc3o2)C1 ZINC000039320674 181590263 /nfs/dbraw/zinc/59/02/63/181590263.db2.gz LXCGGKLZKWRYJH-SSDOTTSWSA-N 1 0 204.233 0.760 10 0 BCAERO [NH3+][C@H]1CC[C@H](C(=O)N2CCn3ccnc3C2)C1 ZINC000091545175 181654375 /nfs/dbraw/zinc/65/43/75/181654375.db2.gz NYLCBFZGSLFINQ-UWVGGRQHSA-N 1 0 234.303 0.353 10 0 BCAERO [NH3+][C@H]1CCCCC[C@H]1N1CCNC(=O)C1 ZINC000040431215 181639615 /nfs/dbraw/zinc/63/96/15/181639615.db2.gz QGOLWEIUIGVFGA-VHSXEESVSA-N 1 0 211.309 0.078 10 0 BCAERO [NH3+][C@H]1CCCC[C@@H]1N1CCNC(=O)CC1 ZINC000062101676 181640901 /nfs/dbraw/zinc/64/09/01/181640901.db2.gz YOGNLRCGSFXOAZ-UWVGGRQHSA-N 1 0 211.309 0.078 10 0 BCAERO [NH3+][C@H]1CCCC[C@@H]1NC(=O)c1ccc(=O)oc1 ZINC000038049077 181641191 /nfs/dbraw/zinc/64/11/91/181641191.db2.gz UPXBFPBAEMJELT-UWVGGRQHSA-N 1 0 236.271 0.640 10 0 BCAERO Nc1cc(N)nc(SC[C@@H]2CCCC[NH2+]2)n1 ZINC000043495589 181689768 /nfs/dbraw/zinc/68/97/68/181689768.db2.gz KEBSOBFBYQOOHY-ZETCQYMHSA-N 1 0 239.348 0.875 10 0 BCAERO O[C@@H]1COCC[C@@H]1[NH2+]C1Cc2ccccc2C1 ZINC000624235310 371422345 /nfs/dbraw/zinc/42/23/45/371422345.db2.gz IFAILAFEXRCLPM-UONOGXRCSA-N 1 0 233.311 0.893 10 0 BCAERO C[C@H]([NH2+][C@H]1CCOC[C@H]1O)c1cccnc1 ZINC000624237195 371424831 /nfs/dbraw/zinc/42/48/31/371424831.db2.gz RKLPBSPYWYVGQP-ZMLRMANQSA-N 1 0 222.288 0.882 10 0 BCAERO CCOC1CC([NH2+][C@H]2CCOC[C@@H]2O)C1 ZINC000624238026 371426368 /nfs/dbraw/zinc/42/63/68/371426368.db2.gz ITYOIMSBJYEYRU-TVUZUIDESA-N 1 0 215.293 0.293 10 0 BCAERO O[C@H]1COCC[C@@H]1[NH2+]C1CCN(C2CC2)CC1 ZINC000624239746 371429056 /nfs/dbraw/zinc/42/90/56/371429056.db2.gz SLVOLXJMCKGYBS-STQMWFEESA-N 1 0 240.347 0.353 10 0 BCAERO O=S(=O)(N[C@@H]1CCC[NH2+]CC1)C(F)F ZINC000226462042 371511475 /nfs/dbraw/zinc/51/14/75/371511475.db2.gz CPHGTCNBGYNPEI-ZCFIWIBFSA-N 1 0 228.264 0.271 10 0 BCAERO CCN1C(=O)C[C@H]([NH3+])[C@H]1c1nccs1 ZINC000161698112 371552633 /nfs/dbraw/zinc/55/26/33/371552633.db2.gz OZCNMHLRESYLPF-XPUUQOCRSA-N 1 0 211.290 0.764 10 0 BCAERO C[C@@H]([NH3+])C(=O)N[C@@H]1CCOC(C)(C)C1 ZINC000215583388 371582872 /nfs/dbraw/zinc/58/28/72/371582872.db2.gz QEZHGWQYLWSBBP-HTQZYQBOSA-N 1 0 200.282 0.407 10 0 BCAERO C[NH+](C)CCc1nnc2cncc(Cl)n21 ZINC000162062344 371608286 /nfs/dbraw/zinc/60/82/86/371608286.db2.gz RPUKHYTVXWXIRJ-UHFFFAOYSA-N 1 0 225.683 0.882 10 0 BCAERO Cc1nsc(NC(=O)C[C@H](C)[NH3+])n1 ZINC000131800252 371680285 /nfs/dbraw/zinc/68/02/85/371680285.db2.gz MLCBJTGDDGMOKI-BYPYZUCNSA-N 1 0 200.267 0.522 10 0 BCAERO CCC[NH2+][C@H](CNC(=O)OC(C)(C)C)C(N)=O ZINC000226219527 371625033 /nfs/dbraw/zinc/62/50/33/371625033.db2.gz GFLYRNAJZOJHCM-MRVPVSSYSA-N 1 0 245.323 0.365 10 0 BCAERO Cn1ccnc1C(=O)[C@]1(C)CCC[NH2+]C1 ZINC000226338971 371648653 /nfs/dbraw/zinc/64/86/53/371648653.db2.gz GGSQZPSQBUYOPP-LLVKDONJSA-N 1 0 207.277 0.993 10 0 BCAERO Cn1ccnc1C(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000226338965 371648965 /nfs/dbraw/zinc/64/89/65/371648965.db2.gz GGSQZPSQBUYOPP-NSHDSACASA-N 1 0 207.277 0.993 10 0 BCAERO CC[C@]1(C(=O)c2cnn(C)c2)CC[NH2+]C1 ZINC000226348518 371649691 /nfs/dbraw/zinc/64/96/91/371649691.db2.gz HJPCYUFHNFODQG-NSHDSACASA-N 1 0 207.277 0.993 10 0 BCAERO COc1cccc(OC)c1C1(O)C[NH2+]C1 ZINC000162331282 371658259 /nfs/dbraw/zinc/65/82/59/371658259.db2.gz CDZQGWFXBVKKFN-UHFFFAOYSA-N 1 0 209.245 0.495 10 0 BCAERO CCn1nccc1C(=O)[C@@H]1COC[C@@H]1[NH3+] ZINC000226608102 371706147 /nfs/dbraw/zinc/70/61/47/371706147.db2.gz IQAXPWBXVLTVGQ-SFYZADRCSA-N 1 0 209.249 0.059 10 0 BCAERO C[C@@H]1C[N@@H+](C[C@@H](O)C[NH3+])C[C@H](C)S1 ZINC000226669231 371719982 /nfs/dbraw/zinc/71/99/82/371719982.db2.gz SEHDKMXCHCXOED-YIZRAAEISA-N 1 0 204.339 0.132 10 0 BCAERO Nc1nc2ccccc2nc1N[C@@H]1CC[NH2+]C1 ZINC000095072163 181794376 /nfs/dbraw/zinc/79/43/76/181794376.db2.gz SXCBSQYKWAIOMC-MRVPVSSYSA-N 1 0 229.287 0.986 10 0 BCAERO CC(C)([NH3+])[C@H]1CCN(S(C)(=O)=O)C1 ZINC000216225702 371722916 /nfs/dbraw/zinc/72/29/16/371722916.db2.gz VLTNUHCEZWLJPL-ZETCQYMHSA-N 1 0 206.311 0.005 10 0 BCAERO Nc1ncccc1C(=O)C1=CC[C@H]([NH3+])C1 ZINC000226567312 371698253 /nfs/dbraw/zinc/69/82/53/371698253.db2.gz ZRICASOATZQTRR-YUMQZZPRSA-N 1 0 203.245 0.750 10 0 BCAERO C[C@@H]1CC[NH2+][C@@H]1C(=O)NCC(F)(F)F ZINC000226896679 371755884 /nfs/dbraw/zinc/75/58/84/371755884.db2.gz LMXKPLPRIFJISW-RITPCOANSA-N 1 0 210.199 0.663 10 0 BCAERO C[C@@H](O)CNC(=O)[C@H]1CCCC[C@H]1[NH3+] ZINC000227318279 371832834 /nfs/dbraw/zinc/83/28/34/371832834.db2.gz FKPGJUNFZMTXHO-HRDYMLBCSA-N 1 0 200.282 0.001 10 0 BCAERO C[C@H](C[NH3+])N[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000227585114 371899894 /nfs/dbraw/zinc/89/98/94/371899894.db2.gz RYKBUFAFXWVOBT-NXEZZACHSA-N 1 0 243.351 0.933 10 0 BCAERO C[C@@H](C(N)=S)[N@@H+]1CCC[C@@H](N(C)C)C1 ZINC000227658674 371916530 /nfs/dbraw/zinc/91/65/30/371916530.db2.gz SHXSSJLLLLCVET-DTWKUNHWSA-N 1 0 215.366 0.687 10 0 BCAERO C[C@@H]1CC[N@H+]([C@@H](C[NH3+])C(=O)[O-])[C@@H](C)C1 ZINC000217473307 371961168 /nfs/dbraw/zinc/96/11/68/371961168.db2.gz CAFKUZTWOREGRR-VGMNWLOBSA-N 1 0 200.282 0.519 10 0 BCAERO c1ccc(CN2CCN(C3=[NH+]CCN3)CC2)cc1 ZINC000306479268 372025069 /nfs/dbraw/zinc/02/50/69/372025069.db2.gz HXJUAMOIBNRDSU-UHFFFAOYSA-N 1 0 244.342 0.763 10 0 BCAERO [NH3+]C[C@@H]1CCN(c2ncncc2Cl)C1 ZINC000163675185 372029368 /nfs/dbraw/zinc/02/93/68/372029368.db2.gz RWNWNWBMEBBHJU-ZETCQYMHSA-N 1 0 212.684 0.915 10 0 BCAERO C[C@H]([NH3+])[C@](C)(O)c1c(Cl)cnn1C ZINC000306660537 372052480 /nfs/dbraw/zinc/05/24/80/372052480.db2.gz MXXKJXUNIGILSP-XNCJUZBTSA-N 1 0 203.673 0.628 10 0 BCAERO C[C@H]([NH3+])[C@@](C)(O)c1c(Cl)cnn1C ZINC000306660539 372052656 /nfs/dbraw/zinc/05/26/56/372052656.db2.gz MXXKJXUNIGILSP-YLWLKBPMSA-N 1 0 203.673 0.628 10 0 BCAERO C[C@H](CNCC[NH3+])N(C)C(=O)OC(C)(C)C ZINC000306678577 372053982 /nfs/dbraw/zinc/05/39/82/372053982.db2.gz AOIXWCRVBWFDGG-SECBINFHSA-N 1 0 231.340 0.790 10 0 BCAERO C[C@H](CNc1cccc(N)[nH+]1)[S@](C)=O ZINC000228674540 372067469 /nfs/dbraw/zinc/06/74/69/372067469.db2.gz ZWEQBWUMNTXEDF-UOWDBTKRSA-N 1 0 213.306 0.843 10 0 BCAERO CC[S@](C)(=O)=NC(=O)[C@H]1[NH2+]CC[C@@H]1C ZINC000306878599 372075235 /nfs/dbraw/zinc/07/52/35/372075235.db2.gz ITJOVROVVHLMOU-FZVNPBSJSA-N 1 0 218.322 0.629 10 0 BCAERO C[C@@H](C[S@@](C)=O)Nc1cc(N)cc[nH+]1 ZINC000228961344 372096867 /nfs/dbraw/zinc/09/68/67/372096867.db2.gz DFNVKCJEHXMIIA-JKYUHCHBSA-N 1 0 213.306 0.843 10 0 BCAERO NC(=O)[C@H](N)C[N@@H+]1CCC2(CCCC2)C1 ZINC000307642245 372134775 /nfs/dbraw/zinc/13/47/75/372134775.db2.gz JLXBVZVGSDXNGG-SECBINFHSA-N 1 0 211.309 0.065 10 0 BCAERO C[NH+](C)Cc1ccc(F)c(S(N)(=O)=O)c1 ZINC000133939073 372135868 /nfs/dbraw/zinc/13/58/68/372135868.db2.gz OWWFHGDZZRWWOR-UHFFFAOYSA-N 1 0 232.280 0.535 10 0 BCAERO CS(=O)(=O)CC[C@@H]1CCCC[NH2+]C1 ZINC000134216682 372180559 /nfs/dbraw/zinc/18/05/59/372180559.db2.gz WRJLNHGYKOQFIU-VIFPVBQESA-N 1 0 205.323 0.811 10 0 BCAERO CC1CC([NH2+][C@H]2C=CS(=O)(=O)C2)C1 ZINC000232840055 372168158 /nfs/dbraw/zinc/16/81/58/372168158.db2.gz POUSWOFDQDHUPR-MGURRDGZSA-N 1 0 201.291 0.685 10 0 BCAERO [NH3+][C@H]1CCN(C[C@@H]2CSCCS2)C1 ZINC000229613809 372172685 /nfs/dbraw/zinc/17/26/85/372172685.db2.gz ZSWFRZWHBHBUFC-DTWKUNHWSA-N 1 0 218.391 0.868 10 0 BCAERO [NH3+][C@]1(CCO)CCO[C@H](C(F)(F)F)C1 ZINC000307609751 372129693 /nfs/dbraw/zinc/12/96/93/372129693.db2.gz DYYYRVNKWHCEQE-NKWVEPMBSA-N 1 0 213.199 0.808 10 0 BCAERO [NH3+][C@H]1CN(C[C@@H]2CSCCS2)C1=O ZINC000229667054 372179703 /nfs/dbraw/zinc/17/97/03/372179703.db2.gz JKZLBHKXBNBNHR-RQJHMYQMSA-N 1 0 218.347 0.005 10 0 BCAERO O=C(CC1CC[NH2+]CC1)NC1CCOCC1 ZINC000036319907 181896035 /nfs/dbraw/zinc/89/60/35/181896035.db2.gz FDAICPZVFNUELW-UHFFFAOYSA-N 1 0 226.320 0.671 10 0 BCAERO C[C@H]([NH2+][C@@H]1COCC[C@H]1O)c1cncs1 ZINC000631749204 372549654 /nfs/dbraw/zinc/54/96/54/372549654.db2.gz KNODWKCLBCWBJG-DJLDLDEBSA-N 1 0 228.317 0.944 10 0 BCAERO C[C@H]1CN(Cc2noc(C3CC3)n2)C[C@H]1C[NH3+] ZINC000631841938 372637696 /nfs/dbraw/zinc/63/76/96/372637696.db2.gz RZUCJNZQAGZPFZ-WCBMZHEXSA-N 1 0 236.319 0.974 10 0 BCAERO C[C@H]1CN(S(=O)(=O)C2(C)CC2)C[C@H]1C[NH3+] ZINC000631965871 372706109 /nfs/dbraw/zinc/70/61/09/372706109.db2.gz JGBGGTDBQQSZBQ-DTWKUNHWSA-N 1 0 232.349 0.395 10 0 BCAERO O=C(C[NH2+]C1CCCC1)N1CCC[C@@H](O)C1 ZINC000037655136 181976047 /nfs/dbraw/zinc/97/60/47/181976047.db2.gz RQMWCEZYVBIQDD-LLVKDONJSA-N 1 0 226.320 0.502 10 0 BCAERO O=C(CNC1CC[NH2+]CC1)c1nccs1 ZINC000095072766 181976712 /nfs/dbraw/zinc/97/67/12/181976712.db2.gz UTUIDYNPPDIFSZ-UHFFFAOYSA-N 1 0 225.317 0.667 10 0 BCAERO O=C(COC[C@H]1CCC[NH2+]C1)N1CCCC1 ZINC000051815485 181999001 /nfs/dbraw/zinc/99/90/01/181999001.db2.gz ZRWBDIUXGCIVBC-NSHDSACASA-N 1 0 226.320 0.625 10 0 BCAERO O=C(CO[C@@H]1CC[NH2+]C1)c1ccccn1 ZINC000095072830 181999959 /nfs/dbraw/zinc/99/99/59/181999959.db2.gz LCXZFNHOJARRHZ-SECBINFHSA-N 1 0 206.245 0.643 10 0 BCAERO O=C(C[C@@H]1CCCC[NH2+]1)N1CCC(O)CC1 ZINC000020597183 182017078 /nfs/dbraw/zinc/01/70/78/182017078.db2.gz PQSHUZYCQVPBPA-JTQLQIEISA-N 1 0 226.320 0.502 10 0 BCAERO O=C(C[C@@H]1CCC[NH2+]1)N1CCC[C@H]1CO ZINC000042434973 182017350 /nfs/dbraw/zinc/01/73/50/182017350.db2.gz LXZDYCVREVGINM-UWVGGRQHSA-N 1 0 212.293 0.112 10 0 BCAERO O=C(C[C@@H]1CCC[NH2+]1)NC1(CO)CCCC1 ZINC000053071978 182017571 /nfs/dbraw/zinc/01/75/71/182017571.db2.gz NDUPKOUMVMJBFY-JTQLQIEISA-N 1 0 226.320 0.550 10 0 BCAERO O=C(C[C@@H]1CCC[NH2+]1)NC[C@@H]1CCOC1 ZINC000042168113 182017745 /nfs/dbraw/zinc/01/77/45/182017745.db2.gz SVATXPFHKWINFW-UWVGGRQHSA-N 1 0 212.293 0.281 10 0 BCAERO O=C(C[C@H]1CCC[NH2+]C1)NC[C@H]1CCOC1 ZINC000054307521 182028233 /nfs/dbraw/zinc/02/82/33/182028233.db2.gz HBVYPWAYFDMBQC-GHMZBOCLSA-N 1 0 226.320 0.529 10 0 BCAERO O=C(C[C@H]1CCC[NH2+]C1)NCCn1cccn1 ZINC000054291449 182028337 /nfs/dbraw/zinc/02/83/37/182028337.db2.gz IFJWASFSIUMWKV-LLVKDONJSA-N 1 0 236.319 0.389 10 0 BCAERO O=C(C[C@H]1CCC[NH2+]C1)NC[C@@H]1CCCO1 ZINC000054290229 182028340 /nfs/dbraw/zinc/02/83/40/182028340.db2.gz NSXVZUFJJZCLPE-MNOVXSKESA-N 1 0 226.320 0.671 10 0 BCAERO O=C(C[C@H]1CCC[NH2+]1)NC[C@@H](O)C(F)(F)F ZINC000226321296 182028927 /nfs/dbraw/zinc/02/89/27/182028927.db2.gz LVJLWPZGRMVYMF-RNFRBKRXSA-N 1 0 240.225 0.168 10 0 BCAERO C[C@H]1C[NH2+]C[C@H](C)N1S(=O)(=O)C(F)F ZINC000068913873 373084296 /nfs/dbraw/zinc/08/42/96/373084296.db2.gz DGDBHNCRRNPRSB-WDSKDSINSA-N 1 0 228.264 0.221 10 0 BCAERO CCC(=[NH2+])N[C@@H]1CCCS(=O)(=O)C1 ZINC000068942147 373095227 /nfs/dbraw/zinc/09/52/27/373095227.db2.gz SFPSCSRRNWYBFS-SSDOTTSWSA-N 1 0 204.295 0.540 10 0 BCAERO O=C(N1Cc2cccnc2C1)N1CC[NH2+]CC1 ZINC000095933602 182081968 /nfs/dbraw/zinc/08/19/68/182081968.db2.gz BVUZPKBJIWETTO-UHFFFAOYSA-N 1 0 232.287 0.422 10 0 BCAERO O=C(NCCC1=CCCCC1)[C@H]1C[C@H](O)C[NH2+]1 ZINC000035661267 182152436 /nfs/dbraw/zinc/15/24/36/182152436.db2.gz ZDJYQMRHLIWWGD-NWDGAFQWSA-N 1 0 238.331 0.716 10 0 BCAERO O=C(NCCC1CC[NH2+]CC1)NC1CC1 ZINC000054457130 182158692 /nfs/dbraw/zinc/15/86/92/182158692.db2.gz KPMIQUFMKAMFDX-UHFFFAOYSA-N 1 0 211.309 0.838 10 0 BCAERO O=C(NCCCCCCO)[C@@H]1CCC[NH2+]C1 ZINC000236493369 182159855 /nfs/dbraw/zinc/15/98/55/182159855.db2.gz BNZZGHPOFNEWJX-LLVKDONJSA-N 1 0 228.336 0.655 10 0 BCAERO O=C(NCCCOc1ccccc1)C1C[NH2+]C1 ZINC000091407424 182173634 /nfs/dbraw/zinc/17/36/34/182173634.db2.gz RQMJNXCTOHMMII-UHFFFAOYSA-N 1 0 234.299 0.791 10 0 BCAERO CC(=O)CC(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]12 ZINC000040805073 373748982 /nfs/dbraw/zinc/74/89/82/373748982.db2.gz KUWZZPWPBPGHGE-NXEZZACHSA-N 1 0 210.277 0.318 10 0 BCAERO O=C(NCCOC1CC[NH2+]CC1)c1ccco1 ZINC000104385340 182194450 /nfs/dbraw/zinc/19/44/50/182194450.db2.gz SKGZDHGPNOHGRX-UHFFFAOYSA-N 1 0 238.287 0.778 10 0 BCAERO Nc1cc[nH+]cc1C(=O)c1cnccn1 ZINC000069844600 373876700 /nfs/dbraw/zinc/87/67/00/373876700.db2.gz WSDDDSANHRCFMC-UHFFFAOYSA-N 1 0 200.201 0.685 10 0 BCAERO O=C(NCC[C@H]1CCCO1)[C@H]1CCCC[NH2+]1 ZINC000038096858 182201478 /nfs/dbraw/zinc/20/14/78/182201478.db2.gz PTCLVFVRCORLMP-GHMZBOCLSA-N 1 0 226.320 0.814 10 0 BCAERO O=C(NCCc1cccc(O)c1)[C@@H]1CCC[NH2+]1 ZINC000169813112 182203056 /nfs/dbraw/zinc/20/30/56/182203056.db2.gz KIEGCBYJQVSADQ-LBPRGKRZSA-N 1 0 234.299 0.803 10 0 BCAERO O=C(NC[C@@H](CO)c1ccccc1)[C@H]1CCC[NH2+]1 ZINC000182436965 182218379 /nfs/dbraw/zinc/21/83/79/182218379.db2.gz PIUWSKRQRGVXOK-QWHCGFSZSA-N 1 0 248.326 0.631 10 0 BCAERO O=C(NC[C@@H](O)C(F)(F)F)[C@H]1CCCC[NH2+]1 ZINC000225389192 182218587 /nfs/dbraw/zinc/21/85/87/182218587.db2.gz VPKPYIXWBLTKCR-RNFRBKRXSA-N 1 0 240.225 0.168 10 0 BCAERO [NH3+]C/C=C/CN1C(=O)c2ccccc2C1=O ZINC000143060788 374131476 /nfs/dbraw/zinc/13/14/76/374131476.db2.gz SPSBMDDRYAAPDD-ONEGZZNKSA-N 1 0 216.240 0.798 10 0 BCAERO O=C(NC[C@H]1CCCOC1)[C@H]1CCC[NH2+]C1 ZINC000038046068 182241471 /nfs/dbraw/zinc/24/14/71/182241471.db2.gz QAJHNNNLYLNWGF-MNOVXSKESA-N 1 0 226.320 0.529 10 0 BCAERO CS(=O)(=O)CC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000070637089 374167936 /nfs/dbraw/zinc/16/79/36/374167936.db2.gz ROTDHXZHVKMAEK-RKDXNWHRSA-N 1 0 205.323 0.939 10 0 BCAERO O=C(NCc1cccc(F)c1)[C@@H]1C[NH2+]CCN1 ZINC000062812687 182253904 /nfs/dbraw/zinc/25/39/04/182253904.db2.gz GWFBIZQAYCLSIQ-NSHDSACASA-N 1 0 237.278 0.003 10 0 BCAERO CN([C@@H]1CCC[NH2+]C1)S(=O)(=O)C1CC1 ZINC000070907514 374226885 /nfs/dbraw/zinc/22/68/85/374226885.db2.gz MRFUKIPPLPDOHQ-MRVPVSSYSA-N 1 0 218.322 0.162 10 0 BCAERO C[NH2+]Cc1nc(C(F)(F)F)cc(=O)[nH]1 ZINC000070947466 374230153 /nfs/dbraw/zinc/23/01/53/374230153.db2.gz HTIAOJGCUOTFBM-UHFFFAOYSA-N 1 0 207.155 0.920 10 0 BCAERO O=S1CCC([NH2+]C2CCOCC2)CC1 ZINC000042336401 374262409 /nfs/dbraw/zinc/26/24/09/374262409.db2.gz NPOTVBGHYUURGO-UHFFFAOYSA-N 1 0 217.334 0.666 10 0 BCAERO O=C(NCc1ccoc1)C1CC[NH2+]CC1 ZINC000163189845 182265795 /nfs/dbraw/zinc/26/57/95/182265795.db2.gz UBQVJBOBGSFDJS-UHFFFAOYSA-N 1 0 208.261 0.895 10 0 BCAERO CC(C)S(=O)(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000070957759 374235676 /nfs/dbraw/zinc/23/56/76/374235676.db2.gz IKICKTALKUNLAK-RKDXNWHRSA-N 1 0 220.338 0.312 10 0 BCAERO Cc1nnc(S[C@@H]2CCC[NH2+]C2)n1C ZINC000071110096 374248569 /nfs/dbraw/zinc/24/85/69/374248569.db2.gz YMRWNXRXMBZWKI-MRVPVSSYSA-N 1 0 212.322 0.968 10 0 BCAERO O=C(N[C@@H]1CCCC[C@H]1CO)C1CC[NH2+]CC1 ZINC000182875438 182293558 /nfs/dbraw/zinc/29/35/58/182293558.db2.gz JBAOBQNZQINVAV-NWDGAFQWSA-N 1 0 240.347 0.653 10 0 BCAERO O=C(N[C@@H]1CCCOC1)[C@@H]1CCCC[NH2+]1 ZINC000071023601 182294836 /nfs/dbraw/zinc/29/48/36/182294836.db2.gz URICTURZKWPDFC-ZJUUUORDSA-N 1 0 212.293 0.424 10 0 BCAERO O=C(N[C@H]1CCCC[C@@H]1CO)C1CC[NH2+]CC1 ZINC000182875452 182328749 /nfs/dbraw/zinc/32/87/49/182328749.db2.gz JBAOBQNZQINVAV-NEPJUHHUSA-N 1 0 240.347 0.653 10 0 BCAERO O=C(N[C@H]1CCC[NH2+]C1)c1ccc(O)cc1O ZINC000070140079 182329644 /nfs/dbraw/zinc/32/96/44/182329644.db2.gz VDLRXNJQAAWVIP-QMMMGPOBSA-N 1 0 236.271 0.580 10 0 BCAERO CCN1C[C@H]([NH2+][C@@H](C)CCO)[C@@H](C)C1 ZINC000308537432 170037260 /nfs/dbraw/zinc/03/72/60/170037260.db2.gz SVYQIANPFADAAU-DCAQKATOSA-N 1 0 200.326 0.687 10 0 BCAERO CCNC(=O)CN1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000051360077 170059553 /nfs/dbraw/zinc/05/95/53/170059553.db2.gz CRWLUJFSFYNBED-QWRGUYRKSA-N 1 0 225.336 0.339 10 0 BCAERO O=C(Nc1cccnc1Cl)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000037020000 182385149 /nfs/dbraw/zinc/38/51/49/182385149.db2.gz GRBBXWKSKVDZGN-HTRCEHHLSA-N 1 0 241.678 0.396 10 0 BCAERO CCOC(=O)CCNC(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000070578004 170207925 /nfs/dbraw/zinc/20/79/25/170207925.db2.gz FFRWEVPVIGHBRK-VHSXEESVSA-N 1 0 242.319 0.573 10 0 BCAERO O=C([C@@H]1CCC[NH2+]C1)N1CCC[C@H]1CCCO ZINC000052763580 182617020 /nfs/dbraw/zinc/61/70/20/182617020.db2.gz URYZYCHNHZQAIA-NEPJUHHUSA-N 1 0 240.347 0.750 10 0 BCAERO O=C([C@H]1CCC[NH2+]1)N1CCCC[C@@H]1CCO ZINC000077488073 182635748 /nfs/dbraw/zinc/63/57/48/182635748.db2.gz CWAAPAQEFOSWKQ-GHMZBOCLSA-N 1 0 226.320 0.502 10 0 BCAERO O=C([C@H]1CCC[NH2+]C1)N1CCC[C@@H](CO)C1 ZINC000036227423 182636182 /nfs/dbraw/zinc/63/61/82/182636182.db2.gz KTGVYVFGXOTMJG-MNOVXSKESA-N 1 0 226.320 0.217 10 0 BCAERO CCOC(=O)CNCCC[NH+](CC)CC ZINC000020052268 170225608 /nfs/dbraw/zinc/22/56/08/170225608.db2.gz ZVAHTASVCFALBZ-UHFFFAOYSA-N 1 0 216.325 0.871 10 0 BCAERO CCOC(=O)[C@H](N)CC[N@@H+]1CCC[C@@H]1C ZINC000062436179 170274248 /nfs/dbraw/zinc/27/42/48/170274248.db2.gz MSXURXULGXXMBV-VHSXEESVSA-N 1 0 214.309 0.751 10 0 BCAERO O=C1NCCCC[C@H]1[NH2+]Cc1ccc[nH]1 ZINC000051788483 182799596 /nfs/dbraw/zinc/79/95/96/182799596.db2.gz URLRNCFUDMJCMU-SNVBAGLBSA-N 1 0 207.277 0.773 10 0 BCAERO O=S(=O)(C[C@@H]1CCC[NH2+]C1)c1cnccn1 ZINC000095073207 182889730 /nfs/dbraw/zinc/88/97/30/182889730.db2.gz HDPQAXDXUYWXDS-SECBINFHSA-N 1 0 241.316 0.250 10 0 BCAERO O=S1(=O)C[C@H](O)[C@H]([NH2+]CC2CCCCC2)C1 ZINC000037487401 182914923 /nfs/dbraw/zinc/91/49/23/182914923.db2.gz ZVKGJVVLACBSGY-MNOVXSKESA-N 1 0 247.360 0.314 10 0 BCAERO CCOCCCN1C[C@@H](C[NH3+])OC1=O ZINC000019669000 170375462 /nfs/dbraw/zinc/37/54/62/170375462.db2.gz VELZKXMTQMCKMK-MRVPVSSYSA-N 1 0 202.254 0.193 10 0 BCAERO CCOCC[N@H+](CC)CC[C@](C)([NH2+]C)C(=O)[O-] ZINC000104200604 170395292 /nfs/dbraw/zinc/39/52/92/170395292.db2.gz RIENOPSYGYKKLH-LBPRGKRZSA-N 1 0 246.351 0.798 10 0 BCAERO O=[S@](c1ccnc(Cl)n1)[C@@H]1CCC[NH2+]C1 ZINC000095070096 182968176 /nfs/dbraw/zinc/96/81/76/182968176.db2.gz JAHIGFMTPNRORZ-KWKYVRJSSA-N 1 0 245.735 0.990 10 0 BCAERO O=c1ccncn1CC[NH2+]Cc1ccccn1 ZINC000104273047 183005382 /nfs/dbraw/zinc/00/53/82/183005382.db2.gz SLSXKBSDQASMPH-UHFFFAOYSA-N 1 0 230.271 0.428 10 0 BCAERO O=c1nc(C(F)(F)F)c2c([nH]1)CC[NH2+]C2 ZINC000020445720 183010670 /nfs/dbraw/zinc/01/06/70/183010670.db2.gz FKKLQFXLNMXXAD-UHFFFAOYSA-N 1 0 219.166 0.434 10 0 BCAERO CCCC[C@@H]([NH3+])C(=O)N(CC(N)=O)CC(C)C ZINC000037818976 168967106 /nfs/dbraw/zinc/96/71/06/168967106.db2.gz KJTRZKXCOICUBK-SNVBAGLBSA-N 1 0 243.351 0.474 10 0 BCAERO OCC1CC[NH+](CC2(CO)CCOCC2)CC1 ZINC000052199086 183040783 /nfs/dbraw/zinc/04/07/83/183040783.db2.gz FPNNYOZXZZUJIA-UHFFFAOYSA-N 1 0 243.347 0.480 10 0 BCAERO OCC1([NH2+][C@@H]2COC[C@@H]2O)CCCCC1 ZINC000053096865 183037551 /nfs/dbraw/zinc/03/75/51/183037551.db2.gz YMSTWTLYEJRQRY-ZJUUUORDSA-N 1 0 215.293 0.031 10 0 BCAERO CCCC[C@@H]1[NH2+]CCc2c1c(C(N)=O)nn2C ZINC000083428467 168977451 /nfs/dbraw/zinc/97/74/51/168977451.db2.gz AXWBTXBDTNTSFU-QMMMGPOBSA-N 1 0 236.319 0.896 10 0 BCAERO OCCC[NH2+][C@H]1COc2cc(O)ccc21 ZINC000020188267 183060362 /nfs/dbraw/zinc/06/03/62/183060362.db2.gz SSCFFVZJFDYTBS-JTQLQIEISA-N 1 0 209.245 0.798 10 0 BCAERO OCC[NH2+][C@H](CO)c1ccc(Cl)cc1 ZINC000273130503 183079622 /nfs/dbraw/zinc/07/96/22/183079622.db2.gz RKIGMDOFXKPGIW-SNVBAGLBSA-N 1 0 215.680 0.955 10 0 BCAERO OCCOc1cncc(N2CCC[NH2+]CC2)c1 ZINC000013703957 183088688 /nfs/dbraw/zinc/08/86/88/183088688.db2.gz MXEKALFXHABDOA-UHFFFAOYSA-N 1 0 237.303 0.252 10 0 BCAERO OCC[C@@H]1CC[N@H+](CC2(O)CCCC2)C1 ZINC000123783773 183095203 /nfs/dbraw/zinc/09/52/03/183095203.db2.gz BLUFHCLYQXHMFW-NSHDSACASA-N 1 0 213.321 0.996 10 0 BCAERO CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)OC ZINC000037804282 169005624 /nfs/dbraw/zinc/00/56/24/169005624.db2.gz KAUDGZVZICDOQM-UWVGGRQHSA-N 1 0 242.319 0.668 10 0 BCAERO CCCC[C@H]([NH3+])C(=O)N(CC(N)=O)CC(C)C ZINC000037818975 169005636 /nfs/dbraw/zinc/00/56/36/169005636.db2.gz KJTRZKXCOICUBK-JTQLQIEISA-N 1 0 243.351 0.474 10 0 BCAERO CCCC[C@H]([NH3+])C(=O)N1CCC[C@H](O)C1 ZINC000037654981 169006017 /nfs/dbraw/zinc/00/60/17/169006017.db2.gz IPGITOKPMHORIC-UWVGGRQHSA-N 1 0 214.309 0.487 10 0 BCAERO CCCC[C@H]([NH3+])C(=O)N1CCOC[C@@H]1C ZINC000037480663 169006458 /nfs/dbraw/zinc/00/64/58/169006458.db2.gz IMMCBKVSSZVVOK-UWVGGRQHSA-N 1 0 214.309 0.751 10 0 BCAERO OCC[C@H]1CC[N@H+](CC2(O)CCCC2)C1 ZINC000123783522 183098347 /nfs/dbraw/zinc/09/83/47/183098347.db2.gz BLUFHCLYQXHMFW-LLVKDONJSA-N 1 0 213.321 0.996 10 0 BCAERO OC[C@@H](O)C[NH2+]Cc1ccc(O)c(Cl)c1 ZINC000083358387 183111156 /nfs/dbraw/zinc/11/11/56/183111156.db2.gz QNMYGZJCUHCWCN-QMMMGPOBSA-N 1 0 231.679 0.488 10 0 BCAERO OC[C@H](Cc1ccccc1)N1CC[NH2+]CC1 ZINC000038120777 183138780 /nfs/dbraw/zinc/13/87/80/183138780.db2.gz LQIZSRAETNNCHI-ZDUSSCGKSA-N 1 0 220.316 0.495 10 0 BCAERO OC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1F ZINC000184008005 183156061 /nfs/dbraw/zinc/15/60/61/183156061.db2.gz WDAUKWAJPUJZDF-MNOVXSKESA-N 1 0 225.263 0.753 10 0 BCAERO OC[C@H]1C[C@H](O)C[N@@H+]1CCCCCF ZINC000375294569 183156536 /nfs/dbraw/zinc/15/65/36/183156536.db2.gz BSRDXQBBNMXJIA-ZJUUUORDSA-N 1 0 205.273 0.554 10 0 BCAERO OC[C@H](c1ccsc1)N1CC[NH2+]CC1 ZINC000038120749 183145058 /nfs/dbraw/zinc/14/50/58/183145058.db2.gz IVIWPEGTZWWRMP-SNVBAGLBSA-N 1 0 212.318 0.687 10 0 BCAERO O[C@@H]1CCC[C@@H]1[NH2+]CCN1CCCCC1 ZINC000049575149 183196020 /nfs/dbraw/zinc/19/60/20/183196020.db2.gz MGCFAKGCZNOBQE-NWDGAFQWSA-N 1 0 212.337 0.975 10 0 BCAERO O[C@@H]1CCC[C@H]1C[NH2+]Cc1cncnc1 ZINC000084229034 183196760 /nfs/dbraw/zinc/19/67/60/183196760.db2.gz LSPDFHLTCBKJFT-WDEREUQCSA-N 1 0 207.277 0.727 10 0 BCAERO O[C@@H]1C[NH+](Cc2cccc3c2NCC3)C[C@H]1O ZINC000236524128 183205954 /nfs/dbraw/zinc/20/59/54/183205954.db2.gz YYZJRKFPRGGYBC-VXGBXAGGSA-N 1 0 234.299 0.192 10 0 BCAERO O[C@@H]1C[NH2+]CCN(Cc2ccccc2)C1 ZINC000083286314 183207945 /nfs/dbraw/zinc/20/79/45/183207945.db2.gz ZXWGHKDWHJBPTJ-GFCCVEGCSA-N 1 0 206.289 0.453 10 0 BCAERO O[C@H](CN1CC[NH2+]CC1)c1cccc(F)c1 ZINC000070459581 183221187 /nfs/dbraw/zinc/22/11/87/183221187.db2.gz NHCACYSKPMOEDC-GFCCVEGCSA-N 1 0 224.279 0.764 10 0 BCAERO O[C@H](COC[C@H]1C[NH2+]CCO1)c1ccccc1 ZINC000033898871 183226888 /nfs/dbraw/zinc/22/68/88/183226888.db2.gz DWFJZBRYOXLXHU-CHWSQXEVSA-N 1 0 237.299 0.725 10 0 BCAERO O[C@@H]1C[NH2+]C[C@@H]1Oc1cccc2cccnc21 ZINC000104231001 183209055 /nfs/dbraw/zinc/20/90/55/183209055.db2.gz QIRUNLPTHZKIIX-PWSUYJOCSA-N 1 0 230.267 0.946 10 0 BCAERO CCCN([C@H](C)C(=O)NCC)C1CC[NH2+]CC1 ZINC000037539341 169091451 /nfs/dbraw/zinc/09/14/51/169091451.db2.gz SQXIBFJFBZCNIU-LLVKDONJSA-N 1 0 241.379 0.975 10 0 BCAERO CCCN(CC(=O)N(C)C)C(=O)[C@@H]([NH3+])C(C)C ZINC000038101106 169093373 /nfs/dbraw/zinc/09/33/73/169093373.db2.gz JMPJVBCMBWKPNH-NSHDSACASA-N 1 0 243.351 0.297 10 0 BCAERO CCCN(CC(=O)N1CCC1)[C@H]1CCC[NH2+]C1 ZINC000104333180 169093661 /nfs/dbraw/zinc/09/36/61/169093661.db2.gz BIKGSGIPHDFYTO-LBPRGKRZSA-N 1 0 239.363 0.683 10 0 BCAERO CCCN(CC(=O)OC)C(=O)CC[NH2+]C1CC1 ZINC000037813100 169099776 /nfs/dbraw/zinc/09/97/76/169099776.db2.gz HYEAQUKCHIWBSO-UHFFFAOYSA-N 1 0 242.319 0.540 10 0 BCAERO O[C@H]1CC[NH2+]CC12CN(Cc1ccccc1)C2 ZINC000082344270 183241193 /nfs/dbraw/zinc/24/11/93/183241193.db2.gz DAFYWFCXUWIZEE-ZDUSSCGKSA-N 1 0 232.327 0.843 10 0 BCAERO O[C@H]1CC[NH2+]C[C@H]1CCc1ccncc1 ZINC000076640671 183241388 /nfs/dbraw/zinc/24/13/88/183241388.db2.gz ZQKZCKDMUZMMPV-NEPJUHHUSA-N 1 0 206.289 0.985 10 0 BCAERO O[C@H]1C[NH2+]C[C@@H]1Oc1cccc2cccnc21 ZINC000104230995 183245302 /nfs/dbraw/zinc/24/53/02/183245302.db2.gz QIRUNLPTHZKIIX-JQWIXIFHSA-N 1 0 230.267 0.946 10 0 BCAERO O[C@@H]1C[NH2+][C@H](COCc2ccccc2)C[C@@H]1O ZINC000021996505 183246594 /nfs/dbraw/zinc/24/65/94/183246594.db2.gz JGUOEEMRKOPRQJ-RWMBFGLXSA-N 1 0 237.299 0.287 10 0 BCAERO O[C@H]1COC[C@@H]1[NH2+]CCc1cccs1 ZINC000037880446 183246852 /nfs/dbraw/zinc/24/68/52/183246852.db2.gz SOROHSDYGDKAIA-UWVGGRQHSA-N 1 0 213.302 0.640 10 0 BCAERO O[C@H]1CCC[C@H]([NH2+]Cc2ccncn2)C1 ZINC000054789552 183236407 /nfs/dbraw/zinc/23/64/07/183236407.db2.gz PYYKHJAKGOFQFM-ONGXEEELSA-N 1 0 207.277 0.870 10 0 BCAERO CCCN(CCC(=O)OC)[C@@H]1CC[NH2+]C1 ZINC000069051292 169140329 /nfs/dbraw/zinc/14/03/29/169140329.db2.gz BHZQHZUFVYELIR-SNVBAGLBSA-N 1 0 214.309 0.623 10 0 BCAERO Oc1cc(CN2CC[NH2+]CC2)ccc1F ZINC000082951061 183256919 /nfs/dbraw/zinc/25/69/19/183256919.db2.gz DXPXWZQKVZCVKK-UHFFFAOYSA-N 1 0 210.252 0.937 10 0 BCAERO O=c1cc(CNC[C@@H]2CCC[NH2+]C2)nc[nH]1 ZINC000045956797 183257467 /nfs/dbraw/zinc/25/74/67/183257467.db2.gz GKLXIWBIODHVQM-SECBINFHSA-N 1 0 222.292 0.271 10 0 BCAERO CCCN(CCO)C(=O)[C@H]1CCC[C@H](C)[C@@H]1[NH3+] ZINC000055133226 169163382 /nfs/dbraw/zinc/16/33/82/169163382.db2.gz SAMHTRIEIIYQPC-SRVKXCTJSA-N 1 0 242.363 0.981 10 0 BCAERO CCCN([C@@H](C)C(=O)NCC)[C@@H]1CCC[NH2+]C1 ZINC000104334196 169182040 /nfs/dbraw/zinc/18/20/40/169182040.db2.gz CBDPLBHOCJHNNC-NWDGAFQWSA-N 1 0 241.379 0.975 10 0 BCAERO CCC[NH+]1CCC([NH2+]C)(C(=O)[O-])CC1 ZINC000037180435 169187988 /nfs/dbraw/zinc/18/79/88/169187988.db2.gz OGIMEMSRWGOBHG-UHFFFAOYSA-N 1 0 200.282 0.535 10 0 BCAERO c1[nH]c(CN2CC[NH2+]CC2)nc1-c1ccncc1 ZINC000037632075 183329875 /nfs/dbraw/zinc/32/98/75/183329875.db2.gz XXDYAAHSEGLUHY-UHFFFAOYSA-N 1 0 243.314 0.877 10 0 BCAERO CCC[N@@H+]1CCC[C@H]([C@@H](C)NCC(N)=O)C1 ZINC000037208380 169197919 /nfs/dbraw/zinc/19/79/19/169197919.db2.gz XIMPYMKTFMSKEU-MNOVXSKESA-N 1 0 227.352 0.572 10 0 BCAERO CCCN1CCN(C(=O)[C@@H]([NH3+])C(C)C)CC1 ZINC000019479842 169201204 /nfs/dbraw/zinc/20/12/04/169201204.db2.gz AFNFUCNMSVFQKK-NSHDSACASA-N 1 0 227.352 0.524 10 0 BCAERO CCC[NH+]1CCN(C[C@@]2(CO)CCOC2)CC1 ZINC000051291562 169202432 /nfs/dbraw/zinc/20/24/32/169202432.db2.gz KRCYQWDKPFZPSZ-CYBMUJFWSA-N 1 0 242.363 0.413 10 0 BCAERO CCC[N@@H+]1CCO[C@@H](Cn2cccn2)C1 ZINC000105890114 169204810 /nfs/dbraw/zinc/20/48/10/169204810.db2.gz WCEKZDHMKWWRRF-LLVKDONJSA-N 1 0 209.293 0.994 10 0 BCAERO CCCNC(=O)CN1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040749973 169223457 /nfs/dbraw/zinc/22/34/57/169223457.db2.gz PEMRXRCSOXGFRV-FGWVZKOKSA-N 1 0 225.336 0.467 10 0 BCAERO CCCNC(=O)CNC(=O)[C@H]1CCC[NH2+][C@@H]1C ZINC000094647273 169225145 /nfs/dbraw/zinc/22/51/45/169225145.db2.gz DQQKNCNWMVQOOG-ZJUUUORDSA-N 1 0 241.335 0.017 10 0 BCAERO CCCNC(=O)CNCC[NH+](CC)CC ZINC000020050516 169226557 /nfs/dbraw/zinc/22/65/57/169226557.db2.gz OYBIIGFUWWIPOW-UHFFFAOYSA-N 1 0 215.341 0.444 10 0 BCAERO CCCNC(=O)C[NH2+]C[C@H]1CCCOC1 ZINC000038045989 169226584 /nfs/dbraw/zinc/22/65/84/169226584.db2.gz YCTPHEJSQJUWBG-SNVBAGLBSA-N 1 0 214.309 0.529 10 0 BCAERO CCCNC(=O)C[NH2+]CCc1ccco1 ZINC000037977740 169226592 /nfs/dbraw/zinc/22/65/92/169226592.db2.gz JFMOKZWCYNJEBX-UHFFFAOYSA-N 1 0 210.277 0.938 10 0 BCAERO CCCNC(=O)CN(C)C(=O)CCCCC[NH3+] ZINC000037799327 169218202 /nfs/dbraw/zinc/21/82/02/169218202.db2.gz AGUROSDYQGHKDW-UHFFFAOYSA-N 1 0 243.351 0.490 10 0 BCAERO CCC[NH2+]CCNc1cncc(C(=O)OC)n1 ZINC000091418406 169260045 /nfs/dbraw/zinc/26/00/45/169260045.db2.gz URKMJVYFFBIUOU-UHFFFAOYSA-N 1 0 238.291 0.675 10 0 BCAERO CCC[NH2+]CCNc1c(C(N)=O)c(C)nn1C ZINC000104312311 169260363 /nfs/dbraw/zinc/26/03/63/169260363.db2.gz PMCDFXYRBHOADD-UHFFFAOYSA-N 1 0 239.323 0.239 10 0 BCAERO CCC[NH2+]CCNc1nc(OC)cc(OC)n1 ZINC000135008798 169260439 /nfs/dbraw/zinc/26/04/39/169260439.db2.gz RNYNTIYJKVWIRQ-UHFFFAOYSA-N 1 0 240.307 0.905 10 0 BCAERO c1nnc2ccc(N[C@H]3CCC[NH2+]C3)nn12 ZINC000073736995 183377313 /nfs/dbraw/zinc/37/73/13/183377313.db2.gz XJVDQESQSMADKQ-QMMMGPOBSA-N 1 0 218.264 0.288 10 0 BCAERO CCCNC(=O)[C@@H](C)[NH2+][C@H](C)COC ZINC000034937690 169242028 /nfs/dbraw/zinc/24/20/28/169242028.db2.gz JREWFMLGVHCSTN-RKDXNWHRSA-N 1 0 202.298 0.526 10 0 BCAERO CCCNC(=O)[C@@H](C)[NH2+]CCn1cc(C)cn1 ZINC000105881483 169242437 /nfs/dbraw/zinc/24/24/37/169242437.db2.gz OVVSHUWFNNJYBZ-LLVKDONJSA-N 1 0 238.335 0.696 10 0 BCAERO CCCNC(=O)[C@H](C)N(CC)C1CC[NH2+]CC1 ZINC000037538790 169244870 /nfs/dbraw/zinc/24/48/70/169244870.db2.gz FTPBSOMBXVQQED-NSHDSACASA-N 1 0 241.379 0.975 10 0 BCAERO CCCNC(=O)[C@H](C)[NH2+]C[C@@H]1CCCOC1 ZINC000038045773 169246427 /nfs/dbraw/zinc/24/64/27/169246427.db2.gz JPTDMSSIOJYGEC-QWRGUYRKSA-N 1 0 228.336 0.917 10 0 BCAERO CCCNC(=O)[C@H](C)NCCC[NH+]1CCCC1 ZINC000042220704 169246946 /nfs/dbraw/zinc/24/69/46/169246946.db2.gz HLXZGJXVYIGMAY-LBPRGKRZSA-N 1 0 241.379 0.977 10 0 BCAERO CCC[NH2+][C@H](C)[C@@H]1CCCCN1CC(=O)NC ZINC000104409209 169285746 /nfs/dbraw/zinc/28/57/46/169285746.db2.gz DFJFDPJJJDHTSM-NEPJUHHUSA-N 1 0 241.379 0.975 10 0 BCAERO CCC[NH2+][C@H](C)CCN1CCN(C)C(=O)C1=O ZINC000061797729 169285787 /nfs/dbraw/zinc/28/57/87/169285787.db2.gz CESJOMNYDSFROK-SNVBAGLBSA-N 1 0 241.335 0.065 10 0 BCAERO c1ccc(-n2nnnc2NC[C@H]2CCC[NH2+]2)cc1 ZINC000053255362 183388109 /nfs/dbraw/zinc/38/81/09/183388109.db2.gz AFGKLXGJQNENAA-SNVBAGLBSA-N 1 0 244.302 0.826 10 0 BCAERO CCC[NH2+][C@@H](CCOCCOCCC)C(N)=O ZINC000104253061 169278058 /nfs/dbraw/zinc/27/80/58/169278058.db2.gz ATEWMCZSFWKTRS-NSHDSACASA-N 1 0 246.351 0.673 10 0 BCAERO CCC[NH2+][C@H]1CCC[C@H]1S(C)(=O)=O ZINC000054930525 169291754 /nfs/dbraw/zinc/29/17/54/169291754.db2.gz LBIVKHXNMLNVKT-DTWKUNHWSA-N 1 0 205.323 0.952 10 0 BCAERO c1nc2ccccc2n1CCN1CC[NH2+]CC1 ZINC000043500009 183455725 /nfs/dbraw/zinc/45/57/25/183455725.db2.gz MFOPZPRFZYPDTQ-UHFFFAOYSA-N 1 0 230.315 0.942 10 0 BCAERO CCCOc1ccc(CNC(=O)[C@H](C)[NH3+])cn1 ZINC000157310061 169318591 /nfs/dbraw/zinc/31/85/91/169318591.db2.gz VEYTUAICVWWLJS-VIFPVBQESA-N 1 0 237.303 0.834 10 0 BCAERO CCC[C@@H](C)[N@@H+]1CCC[C@](O)(C(N)=O)C1 ZINC000309034051 169367291 /nfs/dbraw/zinc/36/72/91/169367291.db2.gz DTLMILRERNAAOE-MWLCHTKSSA-N 1 0 214.309 0.487 10 0 BCAERO CCC[C@@H](C)NC(=O)C[NH2+][C@@H](C)C(=O)N(C)C ZINC000049288305 169367471 /nfs/dbraw/zinc/36/74/71/169367471.db2.gz HUESJHVSGHHJLV-ZJUUUORDSA-N 1 0 243.351 0.358 10 0 BCAERO c1cn2c(n1)CO[C@@H](C[NH2+]C1CCOCC1)C2 ZINC000096269259 183474110 /nfs/dbraw/zinc/47/41/10/183474110.db2.gz ZJRFSOCFWZHHHM-NSHDSACASA-N 1 0 237.303 0.551 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)N1CCC([C@H](C)O)CC1 ZINC000157779310 169388185 /nfs/dbraw/zinc/38/81/85/169388185.db2.gz WMXLYGQFKDDKMP-GXSJLCMTSA-N 1 0 228.336 0.733 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)N(CCOC)[C@@H](C)COC ZINC000042610249 169388191 /nfs/dbraw/zinc/38/81/91/169388191.db2.gz KKBNBUNQSFNQBT-WDEREUQCSA-N 1 0 246.351 0.624 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)N1CCOCC1(C)C ZINC000042463014 169388261 /nfs/dbraw/zinc/38/82/61/169388261.db2.gz KKCCCOHIABUWQJ-SECBINFHSA-N 1 0 214.309 0.751 10 0 BCAERO CCC[C@@H](C[NH3+])N1CCn2ccnc2C1 ZINC000062249158 169384127 /nfs/dbraw/zinc/38/41/27/169384127.db2.gz UTXPPVFLEAMXNX-JTQLQIEISA-N 1 0 208.309 0.826 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)N[C@@H]1CCN(C(C)C)C1=O ZINC000236988900 169390085 /nfs/dbraw/zinc/39/00/85/169390085.db2.gz MTJAKFOHRDZBCZ-NXEZZACHSA-N 1 0 241.335 0.239 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)N1CCN(CC(F)F)CC1 ZINC000236909351 169388463 /nfs/dbraw/zinc/38/84/63/169388463.db2.gz RTSUXFYFKARJDD-SECBINFHSA-N 1 0 249.305 0.523 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)N1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000037821584 169388521 /nfs/dbraw/zinc/38/85/21/169388521.db2.gz XKMITCUNJUHGEZ-LPEHRKFASA-N 1 0 241.335 0.226 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)N1CCOC[C@@H]1C ZINC000036873299 169388547 /nfs/dbraw/zinc/38/85/47/169388547.db2.gz QJNDARATJLAHDN-DTWKUNHWSA-N 1 0 200.282 0.361 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)NCc1ccccn1 ZINC000036872925 169390838 /nfs/dbraw/zinc/39/08/38/169390838.db2.gz PVKSYHWHPBBYOX-SNVBAGLBSA-N 1 0 207.277 0.825 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)N[C@H](C)c1cnn(C)c1 ZINC000236995423 169391923 /nfs/dbraw/zinc/39/19/23/169391923.db2.gz SQIZJSUGQIUMNI-PSASIEDQSA-N 1 0 224.308 0.725 10 0 BCAERO COCCC[C@@H](C)[NH2+][C@@H]1CCc2ncnn2C1 ZINC000180598181 134329952 /nfs/dbraw/zinc/32/99/52/134329952.db2.gz JMGBSPHVJKNGAL-GHMZBOCLSA-N 1 0 238.335 0.998 10 0 BCAERO CC(C)(C)OC(=O)N1CC2(C1)C[NH2+]CC[C@@H]2O ZINC000096987283 166645031 /nfs/dbraw/zinc/64/50/31/166645031.db2.gz NDPVLMIRCOUNJR-VIFPVBQESA-N 1 0 242.319 0.578 10 0 BCAERO c1ncn(-c2ccc(NC3CC[NH2+]CC3)cn2)n1 ZINC000038041054 183548437 /nfs/dbraw/zinc/54/84/37/183548437.db2.gz IKMRRJACOVIQGV-UHFFFAOYSA-N 1 0 244.302 0.826 10 0 BCAERO CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H](CC[NH3+])C1 ZINC000096985395 166652076 /nfs/dbraw/zinc/65/20/76/166652076.db2.gz NSDLEKGWNLQIBU-VHSXEESVSA-N 1 0 244.335 0.953 10 0 BCAERO O=C(N[C@H]1CCSC1)[C@@H]1CC[NH2+]C1 ZINC000226357971 259610999 /nfs/dbraw/zinc/61/09/99/259610999.db2.gz KVXIOFZBSJVKCL-SFYZADRCSA-N 1 0 200.307 0.218 10 0 BCAERO CC(C)(C)OC(=O)N1CC[C@H]([NH3+])C(=O)C1 ZINC000082371112 166653524 /nfs/dbraw/zinc/65/35/24/166653524.db2.gz JSDLQLBCYUMYPB-ZETCQYMHSA-N 1 0 214.265 0.524 10 0 BCAERO CCC[C@H](C)NC(=O)[C@@H](C)[NH2+]CCNC(C)=O ZINC000035206962 169492730 /nfs/dbraw/zinc/49/27/30/169492730.db2.gz WHUZUNFVZAKIOM-VHSXEESVSA-N 1 0 243.351 0.405 10 0 BCAERO CC(C)(C)OC(=O)N1CC[C@H]([C@@H](O)C[NH3+])C1 ZINC000083071501 166655333 /nfs/dbraw/zinc/65/53/33/166655333.db2.gz JSSPNIXCBSAUKT-IUCAKERBSA-N 1 0 230.308 0.563 10 0 BCAERO CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H](C[NH3+])O[C@@H]2C1 ZINC000098091222 166656166 /nfs/dbraw/zinc/65/61/66/166656166.db2.gz VKZFHDQGLQGCGB-LPEHRKFASA-N 1 0 242.319 0.970 10 0 BCAERO CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](C[NH3+])O[C@@H]2C1 ZINC000098091220 166656413 /nfs/dbraw/zinc/65/64/13/166656413.db2.gz VKZFHDQGLQGCGB-IVZWLZJFSA-N 1 0 242.319 0.970 10 0 BCAERO CC[C@@H]1CN(C(=O)[C@H]([NH3+])COC)CCS1 ZINC000132986883 171069047 /nfs/dbraw/zinc/06/90/47/171069047.db2.gz MHNNUQNKFICSLU-RKDXNWHRSA-N 1 0 232.349 0.314 10 0 BCAERO CCCn1c(=O)[nH]nc1SC1CC[NH2+]CC1 ZINC000061607073 169613937 /nfs/dbraw/zinc/61/39/37/169613937.db2.gz NDVVFBUEEHCKFU-UHFFFAOYSA-N 1 0 242.348 0.826 10 0 BCAERO CCCn1cc(NC(=O)[C@@H]2CC[NH2+]C2)ccc1=O ZINC000062114345 169620961 /nfs/dbraw/zinc/62/09/61/169620961.db2.gz MEDRRSLBVYGAJM-SNVBAGLBSA-N 1 0 249.314 0.806 10 0 BCAERO CCN(C(=O)C[C@H](C)[NH3+])[C@@H](C)COC ZINC000037811943 169638309 /nfs/dbraw/zinc/63/83/09/169638309.db2.gz RSYIQEFAALGITA-IUCAKERBSA-N 1 0 202.298 0.607 10 0 BCAERO CCN(C(=O)c1cnccn1)[C@@H]1CC[NH2+]C1 ZINC000058233923 169660965 /nfs/dbraw/zinc/66/09/65/169660965.db2.gz RCJMFSWDGCEMFY-SECBINFHSA-N 1 0 220.276 0.301 10 0 BCAERO CC1CC[NH+](CCN2C[C@H](O)C[C@@H]2CO)CC1 ZINC000185135613 134371795 /nfs/dbraw/zinc/37/17/95/134371795.db2.gz IHMSIWDTODTGTJ-CHWSQXEVSA-N 1 0 242.363 0.146 10 0 BCAERO Cc1cnc(N(C)CCOCC[NH3+])nc1 ZINC000301013668 383825140 /nfs/dbraw/zinc/82/51/40/383825140.db2.gz HHMHIBKNPGGBFF-UHFFFAOYSA-N 1 0 210.281 0.197 10 0 BCAERO C[NH+](C)C[C@@H]1CN(Cc2ncc[nH]2)CCO1 ZINC000111229583 383843190 /nfs/dbraw/zinc/84/31/90/383843190.db2.gz UDMHQABANRNTQU-SNVBAGLBSA-N 1 0 224.308 0.172 10 0 BCAERO CN(CCOCC[NH3+])c1nc(C2CC2)ns1 ZINC000301021731 383848523 /nfs/dbraw/zinc/84/85/23/383848523.db2.gz KOQJVPYUSVURTI-UHFFFAOYSA-N 1 0 242.348 0.827 10 0 BCAERO CS(=O)(=O)c1ccc(N[C@H]2CC[NH2+]C2)cc1 ZINC000052093821 383864973 /nfs/dbraw/zinc/86/49/73/383864973.db2.gz CUQJXJUWDDECAS-JTQLQIEISA-N 1 0 240.328 0.864 10 0 BCAERO CCCC1(CNC(=O)[C@@H]2C[NH2+]CCOC2)CC1 ZINC000643737768 383923329 /nfs/dbraw/zinc/92/33/29/383923329.db2.gz OYPXJXNKYFIUPX-LLVKDONJSA-N 1 0 240.347 0.919 10 0 BCAERO COC[C@]1(C(=O)N2CCCCC2)CCC[NH2+]1 ZINC000643737814 383927324 /nfs/dbraw/zinc/92/73/24/383927324.db2.gz QTLONZDSQUASPA-LBPRGKRZSA-N 1 0 226.320 0.768 10 0 BCAERO C[C@@H]([NH3+])C(=O)Nc1cccc2c[nH]nc21 ZINC000037044394 383931549 /nfs/dbraw/zinc/93/15/49/383931549.db2.gz UATGUSYNRMSNSC-ZCFIWIBFSA-N 1 0 204.233 0.849 10 0 BCAERO Cc1ccc(C[NH2+][C@H]2COC[C@@H]2O)s1 ZINC000050225466 383979797 /nfs/dbraw/zinc/97/97/97/383979797.db2.gz JFOAZYOHXQNFCC-UWVGGRQHSA-N 1 0 213.302 0.906 10 0 BCAERO [NH3+][C@H](C1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000050271503 383988370 /nfs/dbraw/zinc/98/83/70/383988370.db2.gz ONJJDHXYYHAGCE-NXEZZACHSA-N 1 0 217.334 0.939 10 0 BCAERO CC[C@H](C)NC(=O)[C@@]1(COC)CCC[NH2+]1 ZINC000643613822 383995660 /nfs/dbraw/zinc/99/56/60/383995660.db2.gz DLRVGVKIURTBHH-ONGXEEELSA-N 1 0 214.309 0.670 10 0 BCAERO COC[C@@]1(C(=O)N2CCCC2)CCC[NH2+]1 ZINC000643614322 383997730 /nfs/dbraw/zinc/99/77/30/383997730.db2.gz RUEJSGRCAMQBFN-LLVKDONJSA-N 1 0 212.293 0.377 10 0 BCAERO CCN(CC)C(=O)[C@H]1C[NH2+]CCOC1 ZINC000643614926 384018487 /nfs/dbraw/zinc/01/84/87/384018487.db2.gz QOCPDHQAOGHBDO-VIFPVBQESA-N 1 0 200.282 0.091 10 0 BCAERO O=C1NCCC[C@@H]1[NH2+][C@@H]1CCSC1 ZINC000050393979 384018468 /nfs/dbraw/zinc/01/84/68/384018468.db2.gz QMJCZNYMTBGTBR-SFYZADRCSA-N 1 0 200.307 0.360 10 0 BCAERO O=C1C[S@@](=O)C2(CC[NH2+]CC2)N1CC1CC1 ZINC000257182185 384019715 /nfs/dbraw/zinc/01/97/15/384019715.db2.gz OTTKLOPOYWPYLQ-MRXNPFEDSA-N 1 0 242.344 0.067 10 0 BCAERO CO[C@@H]1C[C@@H](CO)[N@H+](CCC(C)(C)O)C1 ZINC000393739887 384005952 /nfs/dbraw/zinc/00/59/52/384005952.db2.gz ICNJVMPYYYCUSY-VHSXEESVSA-N 1 0 217.309 0.229 10 0 BCAERO CCC[C@H](C)NC(=O)[C@H]1C[NH2+]CCOC1 ZINC000643616290 384007627 /nfs/dbraw/zinc/00/76/27/384007627.db2.gz QIJYXLGSRQTVGP-UWVGGRQHSA-N 1 0 214.309 0.527 10 0 BCAERO C[C@@H]1CCCCN1C(=O)[C@@H]1C[NH2+]CCOC1 ZINC000643616922 384008897 /nfs/dbraw/zinc/00/88/97/384008897.db2.gz LPXRTEZWEHYSNL-GHMZBOCLSA-N 1 0 226.320 0.623 10 0 BCAERO C[C@H]1CCCCN1C(=O)[C@@H]1C[NH2+]CCOC1 ZINC000643616925 384009504 /nfs/dbraw/zinc/00/95/04/384009504.db2.gz LPXRTEZWEHYSNL-WDEREUQCSA-N 1 0 226.320 0.623 10 0 BCAERO COC[C@]1(C(=O)N[C@@H](C)C(C)C)CCC[NH2+]1 ZINC000643617836 384013125 /nfs/dbraw/zinc/01/31/25/384013125.db2.gz QECKCWPOIOTWRG-JQWIXIFHSA-N 1 0 228.336 0.916 10 0 BCAERO CN(C)[C@@H]1C[N@@H+](C2CCOCC2)CC[C@@H]1CO ZINC000257183675 384049353 /nfs/dbraw/zinc/04/93/53/384049353.db2.gz SCUIFVXKKHLGLL-DGCLKSJQSA-N 1 0 242.363 0.410 10 0 BCAERO CC(C)C(=O)N1CC[C@H](CO)[C@H]([NH+](C)C)C1 ZINC000257182824 384040726 /nfs/dbraw/zinc/04/07/26/384040726.db2.gz QEZLLRKFOOBQMK-GHMZBOCLSA-N 1 0 228.336 0.413 10 0 BCAERO C[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1OC ZINC000098091247 384041031 /nfs/dbraw/zinc/04/10/31/384041031.db2.gz AAKFNMYHCBQIQV-RKDXNWHRSA-N 1 0 230.308 0.840 10 0 BCAERO Cc1ccccc1CNC(=O)[C@H]1C[NH2+]CCOC1 ZINC000643620615 384081168 /nfs/dbraw/zinc/08/11/68/384081168.db2.gz FOZOFLPGQZFTGC-ZDUSSCGKSA-N 1 0 248.326 0.847 10 0 BCAERO CC[NH2+]Cc1cn(C[C@H](O)C(C)(C)C)nn1 ZINC000304241472 384099198 /nfs/dbraw/zinc/09/91/98/384099198.db2.gz NVDQHIYJAQNASD-JTQLQIEISA-N 1 0 226.324 0.795 10 0 BCAERO CCn1nc(C)c(C[NH2+][C@@H]2C[C@H]2CO)c1C ZINC000309628015 384105957 /nfs/dbraw/zinc/10/59/57/384105957.db2.gz HBGXMUQEFAAUHS-CMPLNLGQSA-N 1 0 223.320 0.990 10 0 BCAERO Cn1[nH+]cc2cccc3c(NN)nnc1c23 ZINC000039109559 384106454 /nfs/dbraw/zinc/10/64/54/384106454.db2.gz QOVPYRHMZHEYNJ-UHFFFAOYSA-N 1 0 214.232 0.802 10 0 BCAERO COC[C@@]1(C(=O)N[C@@H]2CCSC2)CCC[NH2+]1 ZINC000643705374 384111610 /nfs/dbraw/zinc/11/16/10/384111610.db2.gz PPJNLXHDHRIARQ-MWLCHTKSSA-N 1 0 244.360 0.377 10 0 BCAERO COC[C@]1(C(=O)NCC(C)(C)OC)CCC[NH2+]1 ZINC000643705562 384112455 /nfs/dbraw/zinc/11/24/55/384112455.db2.gz VRBUJSBEJIVJIN-LBPRGKRZSA-N 1 0 244.335 0.296 10 0 BCAERO C[NH+](C)CCC(=O)c1c(O)nc2ncccn21 ZINC000072416275 384113471 /nfs/dbraw/zinc/11/34/71/384113471.db2.gz MOKSSYSDACJFOM-UHFFFAOYSA-N 1 0 234.259 0.569 10 0 BCAERO CCC(CC)(CCO)[NH2+]C[C@@H]1CNC(=O)O1 ZINC000309480694 384094746 /nfs/dbraw/zinc/09/47/46/384094746.db2.gz SYBSLPVROJNUEO-VIFPVBQESA-N 1 0 230.308 0.626 10 0 BCAERO CC(CO)(CO)[NH2+]Cc1ccc(F)cc1 ZINC000005902519 384137088 /nfs/dbraw/zinc/13/70/88/384137088.db2.gz HVQLBKQOMJMVHY-UHFFFAOYSA-N 1 0 213.252 0.659 10 0 BCAERO CC(=O)N(C)CC1CC[NH+](CCO)CC1 ZINC000091352091 384121108 /nfs/dbraw/zinc/12/11/08/384121108.db2.gz FGDUEEWOYONHOI-UHFFFAOYSA-N 1 0 214.309 0.169 10 0 BCAERO COC[C@]1(C(=O)N2CC[C@H](OC)C2)CCC[NH2+]1 ZINC000643706053 384127408 /nfs/dbraw/zinc/12/74/08/384127408.db2.gz JZFHBSXFOONODZ-JQWIXIFHSA-N 1 0 242.319 0.002 10 0 BCAERO Cn1cc([C@@H]2CC[N@H+](CCCCO)C2)cn1 ZINC000116316902 384127419 /nfs/dbraw/zinc/12/74/19/384127419.db2.gz OJYAPFKVKIGVPR-LLVKDONJSA-N 1 0 223.320 0.982 10 0 BCAERO Cn1cc([C@@H]2CC[N@H+](CCCO)C2)cn1 ZINC000116318895 384127791 /nfs/dbraw/zinc/12/77/91/384127791.db2.gz DXDJAFAQMPTUNA-SNVBAGLBSA-N 1 0 209.293 0.592 10 0 BCAERO C[NH+](C)C[C@H]1CN(C(=O)c2cc[nH]c2)CCO1 ZINC000116789202 384156022 /nfs/dbraw/zinc/15/60/22/384156022.db2.gz YZVCMLLQTHZTCF-NSHDSACASA-N 1 0 237.303 0.417 10 0 BCAERO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC(=O)N[C@@H]2C)CO1 ZINC000401853791 384145210 /nfs/dbraw/zinc/14/52/10/384145210.db2.gz XXJNYNHVMKWRDC-DOLQZWNJSA-N 1 0 212.293 0.421 10 0 BCAERO CCN(C(=O)[C@@H]1C[NH2+]CCOC1)C1CCC1 ZINC000643709611 384168525 /nfs/dbraw/zinc/16/85/25/384168525.db2.gz GLOLFFBUNGKPFW-SNVBAGLBSA-N 1 0 226.320 0.623 10 0 BCAERO [NH3+][C@H]1CCn2c1nc1sccc1c2=O ZINC000072266498 384204189 /nfs/dbraw/zinc/20/41/89/384204189.db2.gz IQZVOECAPBMACT-LURJTMIESA-N 1 0 207.258 0.862 10 0 BCAERO O=C(NCc1ccsc1)[C@@H]1C[NH2+]CCOC1 ZINC000643633940 384205829 /nfs/dbraw/zinc/20/58/29/384205829.db2.gz UQQAZRWXWPONSE-SNVBAGLBSA-N 1 0 240.328 0.600 10 0 BCAERO CC(C)CN(C)C(=O)[C@H]1C[NH2+]CCOC1 ZINC000643630211 384193215 /nfs/dbraw/zinc/19/32/15/384193215.db2.gz ZASXTGYQAVMHMS-JTQLQIEISA-N 1 0 214.309 0.337 10 0 BCAERO CC[C@H](CCO)NC(=O)[C@H]1CCC[NH2+]1 ZINC000163256853 384195447 /nfs/dbraw/zinc/19/54/47/384195447.db2.gz LVVJDHKHDJOQFD-RKDXNWHRSA-N 1 0 200.282 0.016 10 0 BCAERO Nc1ccc(=O)[nH]c1[NH2+]C1CCOCC1 ZINC000118271529 384195742 /nfs/dbraw/zinc/19/57/42/384195742.db2.gz WNNASLUSHVYKIH-UHFFFAOYSA-N 1 0 209.249 0.960 10 0 BCAERO Cc1cccc(CNC(=O)[C@@H]2C[NH2+]CCOC2)c1 ZINC000643630505 384196121 /nfs/dbraw/zinc/19/61/21/384196121.db2.gz NWJAKZHMFLFAKP-CYBMUJFWSA-N 1 0 248.326 0.847 10 0 BCAERO CCC[C@@](C)([NH3+])C(=O)N[C@@H](CC)CCO ZINC000163261271 384196835 /nfs/dbraw/zinc/19/68/35/384196835.db2.gz RANSFRLBBZBDJT-GXSJLCMTSA-N 1 0 216.325 0.781 10 0 BCAERO COCCCCNC(=O)[C@@]1(COC)CCC[NH2+]1 ZINC000643637555 384234669 /nfs/dbraw/zinc/23/46/69/384234669.db2.gz DAPCMIXMIJNTHI-LBPRGKRZSA-N 1 0 244.335 0.298 10 0 BCAERO Cc1ccc(O)c(C[NH2+][C@@H]2CCC(=O)N[C@H]2C)n1 ZINC000282334337 384237007 /nfs/dbraw/zinc/23/70/07/384237007.db2.gz LTBHPPZMPLZTOF-VHSXEESVSA-N 1 0 249.314 0.852 10 0 BCAERO Cn1cc([C@@H]2CCC[N@@H+]2CCOCCO)cn1 ZINC000132915323 384213928 /nfs/dbraw/zinc/21/39/28/384213928.db2.gz MPLDAIZETAXZPZ-LBPRGKRZSA-N 1 0 239.319 0.566 10 0 BCAERO O=C(NCC1CCC1)[C@H]1C[NH2+]CCOC1 ZINC000643638619 384240619 /nfs/dbraw/zinc/24/06/19/384240619.db2.gz IEGQJTUEYUOAIQ-JTQLQIEISA-N 1 0 212.293 0.139 10 0 BCAERO CC[C@H]([NH3+])CNc1ccnc(C(N)=O)c1 ZINC000082579469 384243148 /nfs/dbraw/zinc/24/31/48/384243148.db2.gz SHGGMPXINRNHAS-ZETCQYMHSA-N 1 0 208.265 0.330 10 0 BCAERO COC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)[NH3+] ZINC000097757580 384277478 /nfs/dbraw/zinc/27/74/78/384277478.db2.gz KECGLEVGGMJPOS-BQBZGAKWSA-N 1 0 232.280 0.400 10 0 BCAERO [NH3+]CC1(C(=O)N[C@@H]2C[C@H]3C[C@H]3C2)CCOCC1 ZINC000335395163 384256100 /nfs/dbraw/zinc/25/61/00/384256100.db2.gz KPUJFEHYINHERM-JGPRNRPPSA-N 1 0 238.331 0.657 10 0 BCAERO Cn1cncc1C[NH2+][C@H]1CCCC[C@H]1O ZINC000082717538 384258246 /nfs/dbraw/zinc/25/82/46/384258246.db2.gz NALCAFMIAJBLEN-WDEREUQCSA-N 1 0 209.293 0.813 10 0 BCAERO Cc1c(C[NH2+][C@H]2CCCCNC2=O)cnn1C ZINC000093649569 384259008 /nfs/dbraw/zinc/25/90/08/384259008.db2.gz JMAKMAOCGJPLET-NSHDSACASA-N 1 0 236.319 0.487 10 0 BCAERO [NH3+][C@@H]1CC[C@H](C(=O)NCc2ncc[nH]2)C1 ZINC000085013773 384262347 /nfs/dbraw/zinc/26/23/47/384262347.db2.gz WKWLVLBZZRFSPS-JGVFFNPUSA-N 1 0 208.265 0.153 10 0 BCAERO C[C@@H](C1CC1)N(C)C(=O)[C@@H]1C[NH2+]CCOC1 ZINC000643640197 384262556 /nfs/dbraw/zinc/26/25/56/384262556.db2.gz FELGFDPEHDWIIV-GXSJLCMTSA-N 1 0 226.320 0.479 10 0 BCAERO CC[C@@H]([NH3+])CNc1ccnc(N(C)C)n1 ZINC000082924394 384275986 /nfs/dbraw/zinc/27/59/86/384275986.db2.gz HMVIKMJBTWMBRV-MRVPVSSYSA-N 1 0 209.297 0.692 10 0 BCAERO CC1(NC(=O)[C@H]2C[NH2+]CCOC2)CCCC1 ZINC000643647552 384308845 /nfs/dbraw/zinc/30/88/45/384308845.db2.gz JWRCWMVRNKDULR-JTQLQIEISA-N 1 0 226.320 0.671 10 0 BCAERO CO[C@H]1C[C@H](CO)[N@H+](CCCCF)C1 ZINC000352376013 384295809 /nfs/dbraw/zinc/29/58/09/384295809.db2.gz IVFPBGQRVKMPJG-ZJUUUORDSA-N 1 0 205.273 0.818 10 0 BCAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]Cc1cccnc1 ZINC000282497465 384297386 /nfs/dbraw/zinc/29/73/86/384297386.db2.gz WJKPNNWUOQBMSX-GXSJLCMTSA-N 1 0 219.288 0.838 10 0 BCAERO Clc1ccc(CNC[C@H]2CC[NH2+]C2)nn1 ZINC000095069847 384335552 /nfs/dbraw/zinc/33/55/52/384335552.db2.gz RUZQZHCTUPCZJU-QMMMGPOBSA-N 1 0 226.711 0.829 10 0 BCAERO CN(CC(=O)c1nccs1)[C@H]1CC[NH2+]C1 ZINC000095070711 384336529 /nfs/dbraw/zinc/33/65/29/384336529.db2.gz YQOAMHZEOAMPEK-QMMMGPOBSA-N 1 0 225.317 0.620 10 0 BCAERO CN(c1ncc(F)cn1)[C@H]1CCC[NH2+]C1 ZINC000095070559 384337023 /nfs/dbraw/zinc/33/70/23/384337023.db2.gz CYOVWTVZQCOKKK-VIFPVBQESA-N 1 0 210.256 0.804 10 0 BCAERO CN(CC(=O)c1ccco1)[C@H]1CC[NH2+]C1 ZINC000095070693 384337132 /nfs/dbraw/zinc/33/71/32/384337132.db2.gz SLLVLUBUCKVMFA-VIFPVBQESA-N 1 0 208.261 0.756 10 0 BCAERO Clc1ccc(CN[C@H]2CC[NH2+]C2)nn1 ZINC000095070486 384337347 /nfs/dbraw/zinc/33/73/47/384337347.db2.gz JQTOBEYGBFNBGU-ZETCQYMHSA-N 1 0 212.684 0.582 10 0 BCAERO Clc1nccnc1CN[C@@H]1CCC[NH2+]C1 ZINC000095070362 384337406 /nfs/dbraw/zinc/33/74/06/384337406.db2.gz CNZIDRSCTXRCBI-MRVPVSSYSA-N 1 0 226.711 0.972 10 0 BCAERO CN(c1ccnc(Cl)n1)[C@H]1CC[NH2+]C1 ZINC000095070577 384337551 /nfs/dbraw/zinc/33/75/51/384337551.db2.gz MQTADERDQFSRFG-ZETCQYMHSA-N 1 0 212.684 0.928 10 0 BCAERO Cc1ccnc(N(C)C[C@@H]2CCC[NH2+]2)n1 ZINC000095070942 384339283 /nfs/dbraw/zinc/33/92/83/384339283.db2.gz KZVNBIUHQZVXOP-JTQLQIEISA-N 1 0 206.293 0.973 10 0 BCAERO CSc1nccnc1CN1CC[C@@H]([NH3+])C1 ZINC000095071905 384341077 /nfs/dbraw/zinc/34/10/77/384341077.db2.gz DYGWKUMPKYZGEW-MRVPVSSYSA-N 1 0 224.333 0.732 10 0 BCAERO COc1nccnc1CN1CC[C@@H](C[NH3+])C1 ZINC000095071606 384341491 /nfs/dbraw/zinc/34/14/91/384341491.db2.gz QQPCQWCMXPWYCP-VIFPVBQESA-N 1 0 222.292 0.266 10 0 BCAERO [NH3+]C[C@@H]1CCCN(Cc2cnccn2)C1 ZINC000044530310 384341981 /nfs/dbraw/zinc/34/19/81/384341981.db2.gz SKAPQXUWXDBEIE-JTQLQIEISA-N 1 0 206.293 0.647 10 0 BCAERO [NH3+]C[C@@H]1CCCN(CC(=O)c2nccs2)C1 ZINC000095072552 384343262 /nfs/dbraw/zinc/34/32/62/384343262.db2.gz FJUGNVNMPQTDOH-VIFPVBQESA-N 1 0 239.344 0.997 10 0 BCAERO Nc1nc2ccccc2nc1N1CC[C@@H](C[NH3+])C1 ZINC000095072672 384343341 /nfs/dbraw/zinc/34/33/41/384343341.db2.gz WPGBRCOGPKZVRF-VIFPVBQESA-N 1 0 243.314 0.997 10 0 BCAERO [NH3+]C[C@H]1CCCN(c2ncccc2O)C1 ZINC000095072497 384343572 /nfs/dbraw/zinc/34/35/72/384343572.db2.gz GMCDEVQOIFCNNI-SECBINFHSA-N 1 0 207.277 0.962 10 0 BCAERO [NH3+]C[C@@H]1CCN(CC(=O)c2nccs2)C1 ZINC000095072688 384343780 /nfs/dbraw/zinc/34/37/80/384343780.db2.gz XIYFVUFDSJZGFJ-QMMMGPOBSA-N 1 0 225.317 0.606 10 0 BCAERO [NH3+]C[C@H]1CCCCN1c1ncc(F)cn1 ZINC000095072413 384343937 /nfs/dbraw/zinc/34/39/37/384343937.db2.gz TWNJVXTXANIBPJ-SECBINFHSA-N 1 0 210.256 0.933 10 0 BCAERO [NH3+]C[C@H]1CCCCN1S(=O)(=O)C(F)(F)F ZINC000044556842 384343933 /nfs/dbraw/zinc/34/39/33/384343933.db2.gz AEHNOHRLCOFBIK-ZCFIWIBFSA-N 1 0 246.254 0.649 10 0 BCAERO O=C(CNC[C@@H]1CCC[NH2+]C1)c1cnccn1 ZINC000095072799 384344938 /nfs/dbraw/zinc/34/49/38/384344938.db2.gz OVIOOQNWGRMSHE-SNVBAGLBSA-N 1 0 234.303 0.249 10 0 BCAERO O=C(CO[C@H]1CC[NH2+]C1)c1nccs1 ZINC000095072844 384345487 /nfs/dbraw/zinc/34/54/87/384345487.db2.gz PWQHNWHUXHKFOV-ZETCQYMHSA-N 1 0 212.274 0.704 10 0 BCAERO O=S(=O)(c1nccs1)[C@@H]1CCC[NH2+]C1 ZINC000095073061 384346512 /nfs/dbraw/zinc/34/65/12/384346512.db2.gz VTYFTTFXMMHTCT-SSDOTTSWSA-N 1 0 232.330 0.669 10 0 BCAERO O=[S@](c1cnccn1)[C@@H]1CCC[NH2+]C1 ZINC000095073382 384347086 /nfs/dbraw/zinc/34/70/86/384347086.db2.gz IYXFCTVNURVDKM-XLKFXECMSA-N 1 0 211.290 0.336 10 0 BCAERO O=S(=O)(C[C@H]1CCC[NH2+]C1)c1ncccn1 ZINC000095073210 384347118 /nfs/dbraw/zinc/34/71/18/384347118.db2.gz RSHNICBUIFROEC-VIFPVBQESA-N 1 0 241.316 0.250 10 0 BCAERO O=[S@@](Cc1cccnc1)[C@H]1CC[NH2+]C1 ZINC000095073437 384347121 /nfs/dbraw/zinc/34/71/21/384347121.db2.gz XBNXMHPDKSCNSO-IINYFYTJSA-N 1 0 210.302 0.692 10 0 BCAERO O=S(=O)(C[C@H]1CCC[NH2+]C1)c1ccccn1 ZINC000095073202 384347150 /nfs/dbraw/zinc/34/71/50/384347150.db2.gz KUYLRFUTGHHKMW-JTQLQIEISA-N 1 0 240.328 0.855 10 0 BCAERO O=[S@@](C[C@H]1CCC[NH2+]C1)c1cnccn1 ZINC000095073606 384347218 /nfs/dbraw/zinc/34/72/18/384347218.db2.gz VSOGTWWUZPPNJO-BJOHPYRUSA-N 1 0 225.317 0.584 10 0 BCAERO O=S(=O)(C[C@H]1CCC[NH2+]1)c1cnccn1 ZINC000095073178 384347791 /nfs/dbraw/zinc/34/77/91/384347791.db2.gz LKTUYFGZTAKXIY-MRVPVSSYSA-N 1 0 227.289 0.002 10 0 BCAERO O=[S@@](C[C@H]1CCC[NH2+]1)c1cnccn1 ZINC000095073546 384348401 /nfs/dbraw/zinc/34/84/01/384348401.db2.gz CHCREXINEMTSFA-XLKFXECMSA-N 1 0 211.290 0.336 10 0 BCAERO O=[S@](C[C@@H]1CCC[NH2+]1)c1ncccn1 ZINC000095073549 384348666 /nfs/dbraw/zinc/34/86/66/384348666.db2.gz SSFCLFOWXIFNSP-RTHLEPHNSA-N 1 0 211.290 0.336 10 0 BCAERO O=[S@@](c1ccccn1)[C@H]1CCC[NH2+]C1 ZINC000095073373 384348747 /nfs/dbraw/zinc/34/87/47/384348747.db2.gz HXADUYVWOXPATK-XPTSAGLGSA-N 1 0 210.302 0.941 10 0 BCAERO O=[S@](c1ccncc1)[C@H]1CCC[NH2+]C1 ZINC000095073376 384348830 /nfs/dbraw/zinc/34/88/30/384348830.db2.gz FRMSITXZPHAAFP-HZMBPMFUSA-N 1 0 210.302 0.941 10 0 BCAERO [NH3+][C@H](CCO)[C@H]1COc2ccccc2O1 ZINC000095077251 384353488 /nfs/dbraw/zinc/35/34/88/384353488.db2.gz VZJKSASHNVIFNI-LDYMZIIASA-N 1 0 209.245 0.536 10 0 BCAERO COC[C@@]1(C(=O)NC[C@H](C)C2CC2)CCC[NH2+]1 ZINC000643657924 384374128 /nfs/dbraw/zinc/37/41/28/384374128.db2.gz IZKFBKXOTKNLHW-GXFFZTMASA-N 1 0 240.347 0.917 10 0 BCAERO C[C@H]([NH3+])C(=O)N1CCC2(C1)CCC(CO)CC2 ZINC000095088832 384359974 /nfs/dbraw/zinc/35/99/74/384359974.db2.gz OMJWXXQTGMVHGN-ZBOXLXRLSA-N 1 0 240.347 0.735 10 0 BCAERO CC(=O)N1CCC2(CCN(CC[NH3+])C2)CC1 ZINC000095082842 384360045 /nfs/dbraw/zinc/36/00/45/384360045.db2.gz DAYWKSGIWYNBQK-UHFFFAOYSA-N 1 0 225.336 0.280 10 0 BCAERO c1cnc2[nH]c(O[C@H]3CC[NH2+]C3)nc2c1 ZINC000095092773 384362833 /nfs/dbraw/zinc/36/28/33/384362833.db2.gz JNCNKYQNZLFDLL-ZETCQYMHSA-N 1 0 204.233 0.699 10 0 BCAERO COC[C@@]1(C(=O)N2CC[C@@H](C)C2)CCC[NH2+]1 ZINC000643657431 384368862 /nfs/dbraw/zinc/36/88/62/384368862.db2.gz RHXUEGKHJUJUCU-ZYHUDNBSSA-N 1 0 226.320 0.623 10 0 BCAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)Cc1ccccc1O ZINC000335555730 384323184 /nfs/dbraw/zinc/32/31/84/384323184.db2.gz KJFVXRLDOSBVAN-MWLCHTKSSA-N 1 0 234.299 0.883 10 0 BCAERO C[C@@H](NC[C@@H]1CCC[NH2+]1)c1cnccn1 ZINC000095068365 384329463 /nfs/dbraw/zinc/32/94/63/384329463.db2.gz VNZSPMXIUYMDKI-ZJUUUORDSA-N 1 0 206.293 0.879 10 0 BCAERO Cc1ccnc(S(=O)(=O)C[C@H]2CCC[NH2+]2)c1 ZINC000095069176 384331600 /nfs/dbraw/zinc/33/16/00/384331600.db2.gz TWDNGTVTDJVMIJ-SNVBAGLBSA-N 1 0 240.328 0.916 10 0 BCAERO Cc1ccc(S(=O)(=O)N[C@H]2CC[NH2+]C2)nc1 ZINC000095069020 384331857 /nfs/dbraw/zinc/33/18/57/384331857.db2.gz DEOJMFGMWFIYCA-VIFPVBQESA-N 1 0 241.316 0.030 10 0 BCAERO Cc1ccnc(S(=O)(=O)[C@@H]2CCC[NH2+]C2)c1 ZINC000095069170 384332128 /nfs/dbraw/zinc/33/21/28/384332128.db2.gz XOIPBAMMHWIALP-SNVBAGLBSA-N 1 0 240.328 0.916 10 0 BCAERO Cc1ccc([S@@](=O)C[C@H]2CCC[NH2+]2)nn1 ZINC000095069123 384332332 /nfs/dbraw/zinc/33/23/32/384332332.db2.gz QKIAXLCKXDTWTN-RFAUZJTJSA-N 1 0 225.317 0.645 10 0 BCAERO O=[S@@](C[C@H]1CC[NH2+]C1)c1ccnc(Cl)n1 ZINC000095070116 384334365 /nfs/dbraw/zinc/33/43/65/384334365.db2.gz LRABTQHRPSPXCL-NZFNHWASSA-N 1 0 245.735 0.847 10 0 BCAERO C[C@@H]1CCC[C@H](C)[N@H+]1C[C@@](C)(N)CO ZINC000156698660 384395751 /nfs/dbraw/zinc/39/57/51/384395751.db2.gz NCVOUMHGBZFFLJ-OUAUKWLOSA-N 1 0 200.326 0.959 10 0 BCAERO C[C@H]1C[C@H]1C[N@@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000625741896 384396936 /nfs/dbraw/zinc/39/69/36/384396936.db2.gz HIIPWTWNGCOGNZ-JXUBOQSCSA-N 1 0 212.293 0.217 10 0 BCAERO CC(=O)Nc1c[nH]nc1[C@H]1CCC[NH2+]C1 ZINC000095829465 384400569 /nfs/dbraw/zinc/40/05/69/384400569.db2.gz ITZKOXSWMWGCGW-QMMMGPOBSA-N 1 0 208.265 0.835 10 0 BCAERO CC(CO)(CO)[NH2+]Cc1cccc(O)c1 ZINC000096033864 384426351 /nfs/dbraw/zinc/42/63/51/384426351.db2.gz LLNFMWCMBKSYJE-UHFFFAOYSA-N 1 0 211.261 0.225 10 0 BCAERO C[C@@H]1C[C@@H](O)C[N@H+](CCC2(O)CCC2)C1 ZINC000335626203 384404048 /nfs/dbraw/zinc/40/40/48/384404048.db2.gz QMSNLBLWJLYURZ-GHMZBOCLSA-N 1 0 213.321 0.994 10 0 BCAERO C[C@H]1C[C@H](O)C[N@H+](CCC2(O)CCC2)C1 ZINC000335626205 384404066 /nfs/dbraw/zinc/40/40/66/384404066.db2.gz QMSNLBLWJLYURZ-QWRGUYRKSA-N 1 0 213.321 0.994 10 0 BCAERO C[C@]1(C[NH3+])CCN(c2ncnc3nc[nH]c32)C1 ZINC000235735657 384411152 /nfs/dbraw/zinc/41/11/52/384411152.db2.gz MNJLLTWPCVJZCS-LLVKDONJSA-N 1 0 232.291 0.528 10 0 BCAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]Cc1cc[nH]c1 ZINC000335605748 384378866 /nfs/dbraw/zinc/37/88/66/384378866.db2.gz IAQHVZBRZUFLCZ-WCBMZHEXSA-N 1 0 207.277 0.771 10 0 BCAERO CN(CCC1CC1)C(=O)[C@H]1C[NH2+]CCOC1 ZINC000643793470 384454749 /nfs/dbraw/zinc/45/47/49/384454749.db2.gz PSWQICCPJGEGIQ-NSHDSACASA-N 1 0 226.320 0.481 10 0 BCAERO CCC[C@H](CC)NC(=O)[C@H]1C[NH2+]CCOC1 ZINC000643666368 384443573 /nfs/dbraw/zinc/44/35/73/384443573.db2.gz AQVJSHBCBDGETN-QWRGUYRKSA-N 1 0 228.336 0.917 10 0 BCAERO COCC[NH2+]CCNc1ccc(F)cn1 ZINC000215520843 384463809 /nfs/dbraw/zinc/46/38/09/384463809.db2.gz GOEDICNFTKOVIY-UHFFFAOYSA-N 1 0 213.256 0.869 10 0 BCAERO COCC[NH2+]CCNc1ncnc2c1CCC2 ZINC000215518820 384465126 /nfs/dbraw/zinc/46/51/26/384465126.db2.gz GRQNMATUNVDJET-UHFFFAOYSA-N 1 0 236.319 0.613 10 0 BCAERO CCNC(=[NH2+])NC1CCS(=O)CC1 ZINC000229237138 384466478 /nfs/dbraw/zinc/46/64/78/384466478.db2.gz KXPYRMBKVHDZTA-UHFFFAOYSA-N 1 0 203.311 0.031 10 0 BCAERO Cc1ocnc1CNC(=O)[C@@H]1CCC[NH2+][C@H]1C ZINC000335663206 384472428 /nfs/dbraw/zinc/47/24/28/384472428.db2.gz VKSCUTZFBCBGFQ-WCBMZHEXSA-N 1 0 237.303 0.987 10 0 BCAERO COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCN1 ZINC000079062032 384483350 /nfs/dbraw/zinc/48/33/50/384483350.db2.gz SIXVZEDCLDOKBM-LBPRGKRZSA-N 1 0 234.299 0.633 10 0 BCAERO CC[C@@H](O)CCNC(=O)[C@@]1(COC)CCC[NH2+]1 ZINC000643672181 384512035 /nfs/dbraw/zinc/51/20/35/384512035.db2.gz GYNSHUZXXDBZMR-PWSUYJOCSA-N 1 0 244.335 0.032 10 0 BCAERO O=C(NC1CCSCC1)[C@H]1C[NH2+]CCOC1 ZINC000643672778 384512502 /nfs/dbraw/zinc/51/25/02/384512502.db2.gz YKYHITYAKKJXJO-VIFPVBQESA-N 1 0 244.360 0.234 10 0 BCAERO COC[C@H]([NH3+])C(=O)NC[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403126888 384545756 /nfs/dbraw/zinc/54/57/56/384545756.db2.gz QKEXCBBBWQYRSQ-YTWAJWBKSA-N 1 0 226.320 0.513 10 0 BCAERO CCC1(NC(=O)[C@H]([NH3+])COC)CCC1 ZINC000229496190 384547235 /nfs/dbraw/zinc/54/72/35/384547235.db2.gz OXKUMAZMSJSLRM-MRVPVSSYSA-N 1 0 200.282 0.409 10 0 BCAERO C[C@@H]1C[C@@H]([NH2+]C[C@H](O)CN2CCCCC2)CO1 ZINC000402200740 384570297 /nfs/dbraw/zinc/57/02/97/384570297.db2.gz GUUAFCFVKMXYLZ-UPJWGTAASA-N 1 0 242.363 0.600 10 0 BCAERO C[NH+](C)[C@@H]1CCN(C(=O)c2ccc(F)cn2)C1 ZINC000184244903 384583866 /nfs/dbraw/zinc/58/38/66/384583866.db2.gz WHTQOEPBHHPCTF-SNVBAGLBSA-N 1 0 237.278 0.997 10 0 BCAERO CN(CCOCC[NH3+])c1ccc2nccnc2n1 ZINC000306023118 384566715 /nfs/dbraw/zinc/56/67/15/384566715.db2.gz OHEAJXVLERNCTL-UHFFFAOYSA-N 1 0 247.302 0.436 10 0 BCAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]CC[C@H]1CCCO1 ZINC000309798214 384611813 /nfs/dbraw/zinc/61/18/13/384611813.db2.gz QQRPTOPJJAJYKK-HBNTYKKESA-N 1 0 226.320 0.812 10 0 BCAERO Cc1cnn(CC[NH2+][C@H]2CN(C)C[C@H]2C)c1 ZINC000309798182 384612155 /nfs/dbraw/zinc/61/21/55/384612155.db2.gz QQDPWWQFPLJFKF-NEPJUHHUSA-N 1 0 222.336 0.731 10 0 BCAERO CC(C)(C)OC(=O)NC(=O)[C@@H]1CC=C[NH2+]1 ZINC000100070454 384614911 /nfs/dbraw/zinc/61/49/11/384614911.db2.gz FDKPSQOBJNREDH-ZETCQYMHSA-N 1 0 212.249 0.913 10 0 BCAERO CSCC[N@@H+]1CCN(C[C@@H](C)O)[C@@H](C)C1 ZINC000171629736 384617702 /nfs/dbraw/zinc/61/77/02/384617702.db2.gz JRQPALODUMCHEY-WDEREUQCSA-N 1 0 232.393 0.736 10 0 BCAERO COC[C@H]([NH3+])C(=O)N[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403295540 384622453 /nfs/dbraw/zinc/62/24/53/384622453.db2.gz NRITVXCWAYJLII-KYXWUPHJSA-N 1 0 212.293 0.265 10 0 BCAERO C[C@@H]([NH3+])C(=O)N1CC[C@@]2(CC[C@@H](CO)C2)C1 ZINC000100248056 384628385 /nfs/dbraw/zinc/62/83/85/384628385.db2.gz BXHQOVKMJVASON-CKYFFXLPSA-N 1 0 226.320 0.345 10 0 BCAERO CO[C@H]1C[C@H](CO)[N@H+](Cc2cc(C)no2)C1 ZINC000309782179 384597288 /nfs/dbraw/zinc/59/72/88/384597288.db2.gz RMLUHOFLVPADRE-ZJUUUORDSA-N 1 0 226.276 0.565 10 0 BCAERO O=C(CN1CCC[NH2+]CC1)c1ccco1 ZINC000050153790 384599423 /nfs/dbraw/zinc/59/94/23/384599423.db2.gz CRFUKIAPNSDVNG-UHFFFAOYSA-N 1 0 208.261 0.758 10 0 BCAERO Cc1ccc(CNC(=O)[C@@H]2C[NH2+]C[C@H]2C)cn1 ZINC000104228855 384662983 /nfs/dbraw/zinc/66/29/83/384662983.db2.gz BIBOQKAFHKEOTK-BXKDBHETSA-N 1 0 233.315 0.862 10 0 BCAERO Cc1cc(CN2C[C@@H](C)[C@@H]([NH3+])C2)nn1C ZINC000647538838 384673295 /nfs/dbraw/zinc/67/32/95/384673295.db2.gz KFZLXFUZQKSPSK-KCJUWKMLSA-N 1 0 208.309 0.508 10 0 BCAERO COC(=O)CCN1C[C@H]([NH+](C)C)[C@@H](C)C1 ZINC000124393228 384637113 /nfs/dbraw/zinc/63/71/13/384637113.db2.gz KYWKNIFNTZHUFR-UWVGGRQHSA-N 1 0 214.309 0.431 10 0 BCAERO CC(=O)N(Cc1ncc(C)o1)[C@@H]1CC[NH2+]C1 ZINC000082160348 384647467 /nfs/dbraw/zinc/64/74/67/384647467.db2.gz UBLVKEFUHHMXFH-SNVBAGLBSA-N 1 0 223.276 0.693 10 0 BCAERO COC(=O)C[C@H]1C[C@@H]2[C@H](CCC[C@H]2[NH3+])O1 ZINC000082162636 384648062 /nfs/dbraw/zinc/64/80/62/384648062.db2.gz KKGAEERCEJJJSE-RGOKHQFPSA-N 1 0 213.277 0.834 10 0 BCAERO C[NH+](C)[C@H]1CC[C@H](NC(=O)c2nnc[nH]2)C1 ZINC000337157492 384660335 /nfs/dbraw/zinc/66/03/35/384660335.db2.gz QJSJLRUAFWPENW-YUMQZZPRSA-N 1 0 223.280 0.017 10 0 BCAERO C[NH+](C)[C@@H]1CCN(C(=O)c2cccnc2)C1 ZINC000082278864 384660289 /nfs/dbraw/zinc/66/02/89/384660289.db2.gz FSERBMOUDQRSRY-LLVKDONJSA-N 1 0 219.288 0.858 10 0 BCAERO C[NH+](C)[C@@H]1CCN(C(=O)c2ccncc2)C1 ZINC000082279007 384660857 /nfs/dbraw/zinc/66/08/57/384660857.db2.gz QGMKNHSBPFNXIJ-LLVKDONJSA-N 1 0 219.288 0.858 10 0 BCAERO COC[C@@]1(C(=O)N[C@@H]2CCCOC2)CCC[NH2+]1 ZINC000643680054 384681771 /nfs/dbraw/zinc/68/17/71/384681771.db2.gz ZEUVMSRICCMRPZ-ZYHUDNBSSA-N 1 0 242.319 0.050 10 0 BCAERO Cc1c[nH]nc1CN1CC[C@H]2OCC[NH2+][C@@H]2C1 ZINC000647541167 384683869 /nfs/dbraw/zinc/68/38/69/384683869.db2.gz DJYGYDWOCZJFNB-VXGBXAGGSA-N 1 0 236.319 0.281 10 0 BCAERO Cc1c[nH]nc1CN1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC000647541166 384685200 /nfs/dbraw/zinc/68/52/00/384685200.db2.gz DJYGYDWOCZJFNB-RYUDHWBXSA-N 1 0 236.319 0.281 10 0 BCAERO CC(C)(C)S(=O)(=O)N[C@H]1CC[C@H]([NH3+])C1 ZINC000258975301 384726353 /nfs/dbraw/zinc/72/63/53/384726353.db2.gz AHDAEOBMLOYYSC-YUMQZZPRSA-N 1 0 220.338 0.584 10 0 BCAERO COC[C@@H](C)[NH2+]Cc1ccnc(N(C)C)n1 ZINC000309659622 384699970 /nfs/dbraw/zinc/69/99/70/384699970.db2.gz QYIUVPYBICTOLQ-SECBINFHSA-N 1 0 224.308 0.667 10 0 BCAERO c1[nH]nc2c1cccc2N1CC[NH2+]CC1 ZINC000082914036 384727973 /nfs/dbraw/zinc/72/79/73/384727973.db2.gz BMDQDHVFOWEMHW-UHFFFAOYSA-N 1 0 202.261 0.973 10 0 BCAERO C[NH2+][C@H](C)C(=O)NCc1ccc(NC(C)=O)cc1 ZINC000054076340 384729025 /nfs/dbraw/zinc/72/90/25/384729025.db2.gz XNFXFIJVVFYURV-SECBINFHSA-N 1 0 249.314 0.869 10 0 BCAERO COC[C@H]([NH3+])C(=O)NC[C@H]1CCC[C@@H](C)C1 ZINC000234729675 384778908 /nfs/dbraw/zinc/77/89/08/384778908.db2.gz MJWWOWHAFSKYFE-VWYCJHECSA-N 1 0 228.336 0.903 10 0 BCAERO [NH3+][C@H](CCO)c1cccc2c1OCCO2 ZINC000082948038 384732198 /nfs/dbraw/zinc/73/21/98/384732198.db2.gz MHEWQWRCTFHRGE-SECBINFHSA-N 1 0 209.245 0.840 10 0 BCAERO Cc1cc(C[N@@H+]2C[C@@H](C)C[C@H](O)C2)n(C)n1 ZINC000334926196 384757270 /nfs/dbraw/zinc/75/72/70/384757270.db2.gz OJZCEONJXYERSL-CABZTGNLSA-N 1 0 223.320 0.931 10 0 BCAERO CN(Cc1cccc(O)c1)C(=O)[C@H]1CC[NH2+]C1 ZINC000062115297 384760845 /nfs/dbraw/zinc/76/08/45/384760845.db2.gz PALPRFDDLNROSX-NSHDSACASA-N 1 0 234.299 0.960 10 0 BCAERO [NH3+][C@H]1COc2c(F)cc(F)cc2[C@@H]1O ZINC000145175776 384769147 /nfs/dbraw/zinc/76/91/47/384769147.db2.gz VVGXPVTZHDXFRP-YUMQZZPRSA-N 1 0 201.172 0.718 10 0 BCAERO CO[C@H](C)C[NH2+][C@H]1CCC(=O)N[C@H]1C ZINC000308574696 384823769 /nfs/dbraw/zinc/82/37/69/384823769.db2.gz DAVALQLTJUYYJK-VGMNWLOBSA-N 1 0 200.282 0.278 10 0 BCAERO C[C@@H](O)CCC[N@@H+]1CC[C@@H](CCO)C1 ZINC000308587147 384824975 /nfs/dbraw/zinc/82/49/75/384824975.db2.gz SNZBHFUKXCWCGN-MNOVXSKESA-N 1 0 201.310 0.852 10 0 BCAERO C[C@@H]1CCCN1C(=O)[C@@H]1C[NH2+]CCOC1 ZINC000643688669 384826823 /nfs/dbraw/zinc/82/68/23/384826823.db2.gz GJQVVDPZHWSSIJ-NXEZZACHSA-N 1 0 212.293 0.233 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N[C@@H](C)c1cnn(C)c1 ZINC000236903434 384802024 /nfs/dbraw/zinc/80/20/24/384802024.db2.gz SQIZJSUGQIUMNI-WPRPVWTQSA-N 1 0 224.308 0.725 10 0 BCAERO [NH3+][C@@H]1CC[C@H](C(=O)NCc2cc[nH]n2)C1 ZINC000085011997 384836790 /nfs/dbraw/zinc/83/67/90/384836790.db2.gz GOIBEVJRHXDAAI-JGVFFNPUSA-N 1 0 208.265 0.153 10 0 BCAERO COC[C@H](C)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000105780401 384809273 /nfs/dbraw/zinc/80/92/73/384809273.db2.gz QYCQCCNTTXPIPE-WDEREUQCSA-N 1 0 228.336 0.822 10 0 BCAERO CO[C@H]1C[C@H](CO)[N@H+](CCCSC)C1 ZINC000308569107 384810489 /nfs/dbraw/zinc/81/04/89/384810489.db2.gz JGHGZFASEJJGMY-ZJUUUORDSA-N 1 0 219.350 0.821 10 0 BCAERO C[C@@H](C(N)=O)[NH+]1CCC(Cn2cccn2)CC1 ZINC000105886052 384889507 /nfs/dbraw/zinc/88/95/07/384889507.db2.gz QTSAPVMAXDRYIL-JTQLQIEISA-N 1 0 236.319 0.469 10 0 BCAERO C[NH2+]CCNc1ncc(Br)cn1 ZINC000084736713 384871788 /nfs/dbraw/zinc/87/17/88/384871788.db2.gz VACDENJMSGOBGB-UHFFFAOYSA-N 1 0 231.097 0.870 10 0 BCAERO CO[C@H]1C[C@@H](CO)[N@H+](CCc2ccccn2)C1 ZINC000310109604 384841165 /nfs/dbraw/zinc/84/11/65/384841165.db2.gz DYMDPPHWXRUJSP-STQMWFEESA-N 1 0 236.315 0.706 10 0 BCAERO C(c1nc([C@@H]2CCCO2)n[nH]1)N1CC[NH2+]CC1 ZINC000072236825 384844349 /nfs/dbraw/zinc/84/43/49/384844349.db2.gz YQHICEXOAJUCBT-VIFPVBQESA-N 1 0 237.307 0.061 10 0 BCAERO CCC[C@H](O)CNC(=O)[C@@]1(COC)CCC[NH2+]1 ZINC000643691268 384848975 /nfs/dbraw/zinc/84/89/75/384848975.db2.gz XHOKOOORQDHPOP-JQWIXIFHSA-N 1 0 244.335 0.032 10 0 BCAERO CN(CCOCC[NH3+])c1ncccc1F ZINC000301043581 384849270 /nfs/dbraw/zinc/84/92/70/384849270.db2.gz LPANIUCBFARXEK-UHFFFAOYSA-N 1 0 213.256 0.632 10 0 BCAERO C[NH2+][C@@H](C(N)=O)c1ccc(O)c(Cl)c1 ZINC000043489220 384850260 /nfs/dbraw/zinc/85/02/60/384850260.db2.gz ODFMDNDAGLHLLT-MRVPVSSYSA-N 1 0 214.652 0.791 10 0 BCAERO CC[NH+](CC)CCNCc1cncnc1 ZINC000054766954 384855542 /nfs/dbraw/zinc/85/55/42/384855542.db2.gz UKANIFHUNWEERT-UHFFFAOYSA-N 1 0 208.309 0.908 10 0 BCAERO CC(C)(C)OC(=O)N1C[C@H]([NH3+])C[C@H](O)C1 ZINC000084310499 384858667 /nfs/dbraw/zinc/85/86/67/384858667.db2.gz IZVUMRPAZPCMTK-SFYZADRCSA-N 1 0 216.281 0.315 10 0 BCAERO C([C@H]1CCCCO1)N1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC000404197683 384957589 /nfs/dbraw/zinc/95/75/89/384957589.db2.gz NYUGVUOUZCLARN-AGIUHOORSA-N 1 0 240.347 0.618 10 0 BCAERO C[NH+](C)C[C@@H]1CN(CCCCCO)CCO1 ZINC000105924363 384890922 /nfs/dbraw/zinc/89/09/22/384890922.db2.gz DODNXVSXCJBYDM-GFCCVEGCSA-N 1 0 230.352 0.411 10 0 BCAERO Cc1cc(N2CC[C@H]3OCC[NH2+][C@@H]3C2)ncn1 ZINC000404075093 384893680 /nfs/dbraw/zinc/89/36/80/384893680.db2.gz QITAEWOLPFKQRS-GHMZBOCLSA-N 1 0 234.303 0.352 10 0 BCAERO CCc1cc(N2CC[C@@H]3OCC[NH2+][C@@H]3C2)ncn1 ZINC000404083939 384897868 /nfs/dbraw/zinc/89/78/68/384897868.db2.gz QMJXTIZZVMCPNQ-NEPJUHHUSA-N 1 0 248.330 0.606 10 0 BCAERO CC(C)[C@@H](O)C[N@@H+]1C[C@H](C)C[C@H](O)C1 ZINC000307003524 384915977 /nfs/dbraw/zinc/91/59/77/384915977.db2.gz DIHUYBKUZKUUMF-VWYCJHECSA-N 1 0 201.310 0.706 10 0 BCAERO CC(C)(C)[C@@H](O)C[NH2+]C1(C(N)=O)CC1 ZINC000308678297 384917756 /nfs/dbraw/zinc/91/77/56/384917756.db2.gz WXFHWOCDWBPERU-ZETCQYMHSA-N 1 0 200.282 0.001 10 0 BCAERO COc1nc(C)cc(NC[C@@H]2CCC[NH2+]2)n1 ZINC000257641284 384923415 /nfs/dbraw/zinc/92/34/15/384923415.db2.gz CVLNKVVXWQVMQQ-VIFPVBQESA-N 1 0 222.292 0.958 10 0 BCAERO C[C@@H](C[NH2+]CC[C@@H]1CCCO1)S(C)(=O)=O ZINC000644517420 384929970 /nfs/dbraw/zinc/92/99/70/384929970.db2.gz VTZGFUNPFNNIGR-UWVGGRQHSA-N 1 0 235.349 0.578 10 0 BCAERO Cc1ccc(C(=O)N2CCC[C@@H]2C[NH3+])c(=O)[nH]1 ZINC000156740568 384946231 /nfs/dbraw/zinc/94/62/31/384946231.db2.gz BYXWYQYXMVNHKM-SECBINFHSA-N 1 0 235.287 0.247 10 0 BCAERO CCC[C@@H]1C[C@H]1NC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000226379516 385000253 /nfs/dbraw/zinc/00/02/53/385000253.db2.gz UZKCONSWCZOCMU-GMTAPVOTSA-N 1 0 226.320 0.670 10 0 BCAERO C[C@H]([NH3+])[C@H](C)Nc1cn[nH]c(=O)c1Cl ZINC000307428304 385008855 /nfs/dbraw/zinc/00/88/55/385008855.db2.gz TXXMNENGWAQZAZ-WHFBIAKZSA-N 1 0 216.672 0.571 10 0 BCAERO C[C@H]1NC(=O)CC[C@@H]1[NH2+]Cc1ccns1 ZINC000404480230 385010076 /nfs/dbraw/zinc/01/00/76/385010076.db2.gz VZBPIQCPUCGZHF-APPZFPTMSA-N 1 0 225.317 0.900 10 0 BCAERO C[NH+](C)C[C@H]1CN(Cc2cncs2)CCO1 ZINC000128180887 385010373 /nfs/dbraw/zinc/01/03/73/385010373.db2.gz WJXYPMBPXMXLOJ-JTQLQIEISA-N 1 0 241.360 0.906 10 0 BCAERO NC(=O)[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCOC1 ZINC000134982175 134438354 /nfs/dbraw/zinc/43/83/54/134438354.db2.gz RUGLMIZYYVIPPH-BBBLOLIVSA-N 1 0 212.293 0.409 10 0 BCAERO COC[C@]1(C(=O)N[C@@H]2CCO[C@H]2C)CCC[NH2+]1 ZINC000643768059 385049676 /nfs/dbraw/zinc/04/96/76/385049676.db2.gz PJMHGHAWTCVKFY-UMNHJUIQSA-N 1 0 242.319 0.049 10 0 BCAERO Cc1nnc2sc(-c3ccc[n+](C)c3)nn12 ZINC000226774199 385051722 /nfs/dbraw/zinc/05/17/22/385051722.db2.gz RKDCPSHHIIMNQG-UHFFFAOYSA-N 1 0 232.292 0.986 10 0 BCAERO Cc1c(C[NH2+]CCn2ccnc2)cnn1C ZINC000086552000 385026755 /nfs/dbraw/zinc/02/67/55/385026755.db2.gz RQIOBWQCOGTQQR-UHFFFAOYSA-N 1 0 219.292 0.715 10 0 BCAERO CC[C@H]([NH3+])CNc1nc(C)cc(OC)n1 ZINC000163184353 385028493 /nfs/dbraw/zinc/02/84/93/385028493.db2.gz RRLPNVHUSPRFBZ-QMMMGPOBSA-N 1 0 210.281 0.943 10 0 BCAERO CN(Cc1ccco1)C(=O)[C@@H]1C[NH2+]CCOC1 ZINC000643767624 385038793 /nfs/dbraw/zinc/03/87/93/385038793.db2.gz AJALRRGJIXKPEK-SNVBAGLBSA-N 1 0 238.287 0.474 10 0 BCAERO Cc1cc(CC(=O)N2CC[C@@H]([NH+](C)C)C2)[nH]n1 ZINC000151433149 385110313 /nfs/dbraw/zinc/11/03/13/385110313.db2.gz JFIVNNMYIYGBAF-LLVKDONJSA-N 1 0 236.319 0.423 10 0 BCAERO Cc1cc(CC(=O)N2CC[C@H]([NH+](C)C)C2)[nH]n1 ZINC000151433092 385111500 /nfs/dbraw/zinc/11/15/00/385111500.db2.gz JFIVNNMYIYGBAF-NSHDSACASA-N 1 0 236.319 0.423 10 0 BCAERO COC(=O)c1ccc(-n2nncc2C[NH3+])cc1 ZINC000062262037 385111811 /nfs/dbraw/zinc/11/18/11/385111811.db2.gz SIGXBMQJGOXKHU-UHFFFAOYSA-N 1 0 232.243 0.513 10 0 BCAERO C[NH+](C)C[C@H]1CN(c2cnccn2)CCO1 ZINC000108951676 385119393 /nfs/dbraw/zinc/11/93/93/385119393.db2.gz RUOIPOCCFBUSSG-JTQLQIEISA-N 1 0 222.292 0.243 10 0 BCAERO CC[C@](C)(O)C[NH+]1CCC(CO)CC1 ZINC000119396843 385090573 /nfs/dbraw/zinc/09/05/73/385090573.db2.gz FXHZZOAKPZROAO-NSHDSACASA-N 1 0 201.310 0.852 10 0 BCAERO Cc1nocc1C(=O)N1CC[C@@H]([NH3+])[C@@H]1C ZINC000402667782 385098139 /nfs/dbraw/zinc/09/81/39/385098139.db2.gz QYBXGWGNMRGXKN-IONNQARKSA-N 1 0 209.249 0.545 10 0 BCAERO C[C@H](O)CCCn1cc(C(C)(C)[NH3+])nn1 ZINC000308815389 385184003 /nfs/dbraw/zinc/18/40/03/385184003.db2.gz AXFYTWDPIPGZDF-QMMMGPOBSA-N 1 0 212.297 0.633 10 0 BCAERO C[NH+](C)C[C@@H]1CN(C(=O)NC(C)(C)C)CCO1 ZINC000157301176 385143176 /nfs/dbraw/zinc/14/31/76/385143176.db2.gz ZGPDPDNRVLLNDY-SNVBAGLBSA-N 1 0 243.351 0.757 10 0 BCAERO Cc1nocc1C(=O)N1C[C@H]([NH3+])[C@@H](C)C1 ZINC000402692369 385144681 /nfs/dbraw/zinc/14/46/81/385144681.db2.gz ZANGBPYRCIUDHZ-RCOVLWMOSA-N 1 0 209.249 0.402 10 0 BCAERO CC[C@H](CCO)CNC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000227580143 385162584 /nfs/dbraw/zinc/16/25/84/385162584.db2.gz XJALUZKFUFBIES-OUAUKWLOSA-N 1 0 228.336 0.639 10 0 BCAERO C[C@@H]([NH2+][C@@H](CO)c1ccccc1)C(=O)NC1CC1 ZINC000063002778 385201400 /nfs/dbraw/zinc/20/14/00/385201400.db2.gz NBZWAGZPIZULSY-MFKMUULPSA-N 1 0 248.326 0.977 10 0 BCAERO c1ccc(CCN2C[C@H]3C[NH2+]C[C@@H](C2)O3)cc1 ZINC000138874444 385218663 /nfs/dbraw/zinc/21/86/63/385218663.db2.gz RNHNJPYGHWXTSE-OKILXGFUSA-N 1 0 232.327 0.902 10 0 BCAERO C[C@H](O)CNC(=O)N[C@H]1CC[C@@H]([NH+](C)C)C1 ZINC000341622762 385231289 /nfs/dbraw/zinc/23/12/89/385231289.db2.gz VLTWVYQOWHJWFU-LPEHRKFASA-N 1 0 229.324 0.149 10 0 BCAERO COC(C)(C)[C@@H](C)[NH2+]C[C@H]1CN(C)CCO1 ZINC000301027051 385236657 /nfs/dbraw/zinc/23/66/57/385236657.db2.gz SKJDSTOTFNECOE-MNOVXSKESA-N 1 0 230.352 0.720 10 0 BCAERO CN(C[C@@H]1CCCOC1)C(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000227794897 385239342 /nfs/dbraw/zinc/23/93/42/385239342.db2.gz RHLOLBCCQKZGFD-QJPTWQEYSA-N 1 0 240.347 0.999 10 0 BCAERO C[C@H]1CN(C(=O)C[C@H]2CSCC[NH2+]2)CCO1 ZINC000085612526 134447208 /nfs/dbraw/zinc/44/72/08/134447208.db2.gz PEYZNHNPFHWBQJ-UWVGGRQHSA-N 1 0 244.360 0.329 10 0 BCAERO [NH3+][C@@H]1CC[C@H](C(=O)NC[C@@H]2CCCCO2)C1 ZINC000227814967 385244352 /nfs/dbraw/zinc/24/43/52/385244352.db2.gz BTMGSFLNBANYOK-AXFHLTTASA-N 1 0 226.320 0.799 10 0 BCAERO Cc1c(CN(C)C2CC[NH2+]CC2)cnn1C ZINC000335734808 385205221 /nfs/dbraw/zinc/20/52/21/385205221.db2.gz SCIDRRORWUBMTO-UHFFFAOYSA-N 1 0 222.336 0.912 10 0 BCAERO O=C(N[C@@H]1C[C@H]2C[C@H]2C1)[C@@H]1C[NH2+]CCOC1 ZINC000643808465 385302901 /nfs/dbraw/zinc/30/29/01/385302901.db2.gz AVCTVSBZPMHGRD-LMLFDSFASA-N 1 0 224.304 0.137 10 0 BCAERO CSC[C@@H](C)C(=O)NCC[C@@H](C)[NH3+] ZINC000178630649 385307230 /nfs/dbraw/zinc/30/72/30/385307230.db2.gz DYNHNQSWCAUKQT-HTQZYQBOSA-N 1 0 204.339 0.839 10 0 BCAERO C[C@H]([NH3+])CNC(=O)[C@@]1(C)CCCS1 ZINC000164836770 385315727 /nfs/dbraw/zinc/31/57/27/385315727.db2.gz DIUUGYVTPQOZLI-IONNQARKSA-N 1 0 202.323 0.736 10 0 BCAERO COCC[N@@H+]1CCN(Cc2ccon2)C[C@H]1C ZINC000157948919 385316143 /nfs/dbraw/zinc/31/61/43/385316143.db2.gz CHJTWXYKEJEXHI-LLVKDONJSA-N 1 0 239.319 0.827 10 0 BCAERO COC[C@H](O)CN(C)c1ncnc(N)c1Cl ZINC000227848446 385260099 /nfs/dbraw/zinc/26/00/99/385260099.db2.gz WXROPPVYQSLKNK-ZCFIWIBFSA-N 1 0 246.698 0.156 10 0 BCAERO CO[C@H](C)C[N@@H+]1C[C@@H](OC)C[C@H]1CO ZINC000344682496 385289839 /nfs/dbraw/zinc/28/98/39/385289839.db2.gz SNXSBJJILIOVER-UTLUCORTSA-N 1 0 203.282 0.103 10 0 BCAERO COC(=O)[C@H](C)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000247374582 385329386 /nfs/dbraw/zinc/32/93/86/385329386.db2.gz VDCODFGPYJOWFI-UWVGGRQHSA-N 1 0 212.293 0.328 10 0 BCAERO C[C@H](NC(=O)[C@@H]1[NH2+]CC1(C)C)[C@H]1CCCO1 ZINC000644020911 385384263 /nfs/dbraw/zinc/38/42/63/385384263.db2.gz BAISZFXHWHEGNQ-AEJSXWLSSA-N 1 0 226.320 0.668 10 0 BCAERO c1cn2c(n1)CC[C@@H]([NH2+][C@@H]1CCOC1)C2 ZINC000308985544 385325548 /nfs/dbraw/zinc/32/55/48/385325548.db2.gz JNLXZHVXHJFXKC-NXEZZACHSA-N 1 0 207.277 0.576 10 0 BCAERO COC(=O)[C@H](C)N1CC[C@H]([NH+](C)C)C1 ZINC000062966276 385408948 /nfs/dbraw/zinc/40/89/48/385408948.db2.gz NMUQREACSJJYGC-IUCAKERBSA-N 1 0 200.282 0.184 10 0 BCAERO CO[C@@H](C[N@@H+]1CCO[C@H](CO)C1)C1CC1 ZINC000400254450 385410157 /nfs/dbraw/zinc/41/01/57/385410157.db2.gz DWWXHEILQZVHKP-QWRGUYRKSA-N 1 0 215.293 0.105 10 0 BCAERO CC[C@](C)(O)C[N@H+](C)CC(C)(CO)CO ZINC000161651985 385417996 /nfs/dbraw/zinc/41/79/96/385417996.db2.gz WBEODBGJUBTTDA-NSHDSACASA-N 1 0 219.325 0.070 10 0 BCAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]CCC(C)(C)O ZINC000309160186 385442817 /nfs/dbraw/zinc/44/28/17/385442817.db2.gz YPFURXJLQAXMBZ-IUCAKERBSA-N 1 0 214.309 0.404 10 0 BCAERO Cn1ccc(C(=O)N2CC[C@H]([NH+](C)C)C2)cc1=O ZINC000170867648 385451339 /nfs/dbraw/zinc/45/13/39/385451339.db2.gz ZHJDSYZYORCFNN-NSHDSACASA-N 1 0 249.314 0.161 10 0 BCAERO CCOC(=O)[C@]1(N)CC[N@@H+]2CCC[C@@H]2C1 ZINC000156498814 385454972 /nfs/dbraw/zinc/45/49/72/385454972.db2.gz LKZKGZYEHXTESO-KOLCDFICSA-N 1 0 212.293 0.505 10 0 BCAERO CC[C@@H]1CN(C[C@@H](C)OC)CC[N@@H+]1C[C@@H](C)O ZINC000182137178 385430831 /nfs/dbraw/zinc/43/08/31/385430831.db2.gz BCOKGBRWDQQTDF-JHJVBQTASA-N 1 0 244.379 0.798 10 0 BCAERO CS(=O)(=O)c1ccc(NCCC[NH3+])c(F)c1 ZINC000309186777 385459464 /nfs/dbraw/zinc/45/94/64/385459464.db2.gz ADZNYFDSVFPUQR-UHFFFAOYSA-N 1 0 246.307 0.990 10 0 BCAERO O=C(c1csnn1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171586495 385498919 /nfs/dbraw/zinc/49/89/19/385498919.db2.gz DNGBGEBJGOBABY-MRVPVSSYSA-N 1 0 238.316 0.458 10 0 BCAERO C[C@@H](Cn1cccn1)[NH2+]C[C@@H]1CN(C)CCO1 ZINC000106388203 385508065 /nfs/dbraw/zinc/50/80/65/385508065.db2.gz SAMJOFXVIRNSES-NWDGAFQWSA-N 1 0 238.335 0.192 10 0 BCAERO Cn1ccc(NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000171892319 385529758 /nfs/dbraw/zinc/52/97/58/385529758.db2.gz VTJGABNWRGCPSH-SNVBAGLBSA-N 1 0 249.318 0.732 10 0 BCAERO CC(F)(F)C[C@@]1([NH3+])CCS(=O)(=O)C1 ZINC000257986387 385522457 /nfs/dbraw/zinc/52/24/57/385522457.db2.gz DXWABFYTCWAOFU-ZETCQYMHSA-N 1 0 213.249 0.548 10 0 BCAERO Cc1nn(C)cc1C[NH2+][C@@H]1CCC(=O)N[C@H]1C ZINC000282222152 385526722 /nfs/dbraw/zinc/52/67/22/385526722.db2.gz DYOFCMFJNXERAK-GXSJLCMTSA-N 1 0 236.319 0.485 10 0 BCAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]C[C@H](O)c1ccccc1 ZINC000282229889 385527039 /nfs/dbraw/zinc/52/70/39/385527039.db2.gz FKYJUQMNQZNSGH-DRZSPHRISA-N 1 0 248.326 0.977 10 0 BCAERO C[C@@H]([NH2+][C@@H]1CCNC1=O)c1cncc(F)c1 ZINC000309365589 385550866 /nfs/dbraw/zinc/55/08/66/385550866.db2.gz BDPCFRCUCIZZOE-GMSGAONNSA-N 1 0 223.251 0.760 10 0 BCAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]C[C@H]1CCCOC1 ZINC000309404636 385571656 /nfs/dbraw/zinc/57/16/56/385571656.db2.gz HVGPZFNUJWODRC-AXFHLTTASA-N 1 0 226.320 0.670 10 0 BCAERO C[NH2+][C@H](C)C(=O)N(C)C[C@@H]1CCCCO1 ZINC000054076560 385594354 /nfs/dbraw/zinc/59/43/54/385594354.db2.gz HIPHAAPAXJLXOL-ZJUUUORDSA-N 1 0 214.309 0.622 10 0 BCAERO C[C@@H]1OCC[C@H]1[NH2+]C[C@@H](O)CN(C)C1CC1 ZINC000309454705 385592393 /nfs/dbraw/zinc/59/23/93/385592393.db2.gz QQNUBSUUHICSOG-MVWJERBFSA-N 1 0 228.336 0.209 10 0 BCAERO Cn1cc(NC(=O)C[C@@H]2CCC[NH2+]C2)ccc1=O ZINC000054307641 385613962 /nfs/dbraw/zinc/61/39/62/385613962.db2.gz BOYLRIBJXDZIPK-JTQLQIEISA-N 1 0 249.314 0.714 10 0 BCAERO Cn1cc(NC(=O)C[C@H]2CCC[NH2+]C2)ccc1=O ZINC000054307642 385614176 /nfs/dbraw/zinc/61/41/76/385614176.db2.gz BOYLRIBJXDZIPK-SNVBAGLBSA-N 1 0 249.314 0.714 10 0 BCAERO CC[C@H]1CC[N@@H+]1CCNS(C)(=O)=O ZINC000336651009 385615078 /nfs/dbraw/zinc/61/50/78/385615078.db2.gz IZUKEGLUCZEHMZ-QMMMGPOBSA-N 1 0 206.311 0.020 10 0 BCAERO C[C@@H]([NH2+]CCn1cncn1)c1nccn1C ZINC000309496942 385618938 /nfs/dbraw/zinc/61/89/38/385618938.db2.gz UBLMHZYWRHDBOV-SECBINFHSA-N 1 0 220.280 0.362 10 0 BCAERO [NH3+]CCS(=O)(=O)c1ccc(F)cc1F ZINC000037381754 385640517 /nfs/dbraw/zinc/64/05/17/385640517.db2.gz GFNPXHDTIHCHMA-UHFFFAOYSA-N 1 0 221.228 0.697 10 0 BCAERO CC[C@@H](C)[N@@H+]1CCC[C@@](O)(C(N)=O)C1 ZINC000306972273 385643732 /nfs/dbraw/zinc/64/37/32/385643732.db2.gz UFDMOPXBZXTENN-SCZZXKLOSA-N 1 0 200.282 0.097 10 0 BCAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]CCCCF ZINC000336652183 385648751 /nfs/dbraw/zinc/64/87/51/385648751.db2.gz KLLZUFDTFDYQSN-IUCAKERBSA-N 1 0 202.273 0.993 10 0 BCAERO CC[C@](C)(O)C[N@@H+]1CCC[C@@H](O)CC1 ZINC000307146953 385661883 /nfs/dbraw/zinc/66/18/83/385661883.db2.gz ODNYYUYLABXKOA-MNOVXSKESA-N 1 0 201.310 0.994 10 0 BCAERO CC[C@](C)(O)C[N@@H+]1CCC[C@H](O)CC1 ZINC000307146954 385661962 /nfs/dbraw/zinc/66/19/62/385661962.db2.gz ODNYYUYLABXKOA-QWRGUYRKSA-N 1 0 201.310 0.994 10 0 BCAERO NNc1[nH+]cnc2c1ncn2[C@@H]1CCCCO1 ZINC000211319632 385679061 /nfs/dbraw/zinc/67/90/61/385679061.db2.gz SMCRLLOFBWBKPX-ZETCQYMHSA-N 1 0 234.263 0.811 10 0 BCAERO Nc1nc(Cl)c(N)c(N2CCC([NH3+])CC2)n1 ZINC000253574911 385683909 /nfs/dbraw/zinc/68/39/09/385683909.db2.gz TZUNOMPQUGZIBA-UHFFFAOYSA-N 1 0 242.714 0.222 10 0 BCAERO [NH3+]C[C@H]1CNc2nc3ccccc3c(=O)n21 ZINC000253575134 385684228 /nfs/dbraw/zinc/68/42/28/385684228.db2.gz UGGAPHQYSDEFBB-ZETCQYMHSA-N 1 0 216.244 0.322 10 0 BCAERO [NH3+][C@H]1C[C@H]1CN1c2ccccc2CC1=O ZINC000211937254 385701839 /nfs/dbraw/zinc/70/18/39/385701839.db2.gz XJFTVWQDVGGYCL-UWVGGRQHSA-N 1 0 202.257 0.923 10 0 BCAERO COC[C@@H](C)NC(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000055086604 385705540 /nfs/dbraw/zinc/70/55/40/385705540.db2.gz CCZKCIKFHFTKGB-BBBLOLIVSA-N 1 0 214.309 0.655 10 0 BCAERO CC(C)(O)C[NH2+][C@H]1CCCC[C@H]1C(N)=O ZINC000184841612 385713930 /nfs/dbraw/zinc/71/39/30/385713930.db2.gz POKVCJVETQINOO-BDAKNGLRSA-N 1 0 214.309 0.391 10 0 BCAERO CCn1ccnc1C[NH2+]C(C)(C)CC(N)=O ZINC000186231723 385749388 /nfs/dbraw/zinc/74/93/88/385749388.db2.gz QPLUWPNAGSBMMK-UHFFFAOYSA-N 1 0 224.308 0.647 10 0 BCAERO CC[N@@H+]1CC[C@H](NCc2n[nH]cc2C)C1 ZINC000414557300 385761615 /nfs/dbraw/zinc/76/16/15/385761615.db2.gz WTZRUENGDFLBLQ-JTQLQIEISA-N 1 0 208.309 0.902 10 0 BCAERO CC(C)(C)OC(=O)[C@H]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC000213596170 385777743 /nfs/dbraw/zinc/77/77/43/385777743.db2.gz VTFJLPVDBYVBKB-IWSPIJDZSA-N 1 0 215.293 0.674 10 0 BCAERO [NH3+]Cc1nc(-n2cncn2)ccc1Cl ZINC000051489448 385830007 /nfs/dbraw/zinc/83/00/07/385830007.db2.gz PZAAQNAQWFXUKB-UHFFFAOYSA-N 1 0 209.640 0.774 10 0 BCAERO CO[C@H]1C[NH2+][C@H](c2csc(=O)[nH]2)C1 ZINC000231876130 385841723 /nfs/dbraw/zinc/84/17/23/385841723.db2.gz AMCAHUVRELGVRF-RITPCOANSA-N 1 0 200.263 0.898 10 0 BCAERO CS(C)(=O)=NC[C@@H]1C[NH2+]CCS1 ZINC000575528290 385849551 /nfs/dbraw/zinc/84/95/51/385849551.db2.gz JDEUSDGCKUYLOG-ZETCQYMHSA-N 1 0 208.352 0.419 10 0 BCAERO CCc1nnc(CN2CCC[C@H]2C[NH2+]C)n1C ZINC000647857023 385906836 /nfs/dbraw/zinc/90/68/36/385906836.db2.gz IEICTUUTKAEGSD-JTQLQIEISA-N 1 0 237.351 0.561 10 0 BCAERO C[C@@](O)(Cn1cc(C[NH3+])nn1)C(F)(F)F ZINC000308906613 385908682 /nfs/dbraw/zinc/90/86/82/385908682.db2.gz LNLPBGKSQVWIPW-ZCFIWIBFSA-N 1 0 224.186 0.050 10 0 BCAERO CC[C@@H]1CCCN(C(=O)[C@H]([NH3+])COC)C1 ZINC000088002980 385918589 /nfs/dbraw/zinc/91/85/89/385918589.db2.gz UYUPUGDLCYRYGU-NXEZZACHSA-N 1 0 214.309 0.609 10 0 BCAERO CN(CC(F)F)C(=O)[C@H]1CCC[NH2+]C1 ZINC000122469654 385921606 /nfs/dbraw/zinc/92/16/06/385921606.db2.gz QGRRYDURJITVTA-ZETCQYMHSA-N 1 0 206.236 0.710 10 0 BCAERO CC(C)NC(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000308976488 385923940 /nfs/dbraw/zinc/92/39/40/385923940.db2.gz IQVZGXCWQCVQBB-IVZWLZJFSA-N 1 0 211.309 0.774 10 0 BCAERO Cn1ncc(NCC(C)(C)[NH3+])c(Cl)c1=O ZINC000123145580 385861121 /nfs/dbraw/zinc/86/11/21/385861121.db2.gz HEVHJJCXRJWXAQ-UHFFFAOYSA-N 1 0 230.699 0.583 10 0 BCAERO Nc1ccccc1[C@@H]1COCCN1CC[NH3+] ZINC000616640625 385864326 /nfs/dbraw/zinc/86/43/26/385864326.db2.gz JUSAZDYCXUMNGC-LBPRGKRZSA-N 1 0 221.304 0.601 10 0 BCAERO CCc1nnc(CN2CCC[C@H]([NH3+])C2)n1C ZINC000647813468 385866173 /nfs/dbraw/zinc/86/61/73/385866173.db2.gz SMPYMMKCZLHXMS-VIFPVBQESA-N 1 0 223.324 0.301 10 0 BCAERO CC(C)Cn1ncnc1CN1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000232616279 385883082 /nfs/dbraw/zinc/88/30/82/385883082.db2.gz KRXMBWJYVNIFPY-MNOVXSKESA-N 1 0 237.351 0.713 10 0 BCAERO Cc1cnn(CC[NH2+][C@@H]2CCO[C@@H]2C)c1 ZINC000124062383 385983679 /nfs/dbraw/zinc/98/36/79/385983679.db2.gz AJPKDHBRSRAJTK-GHMZBOCLSA-N 1 0 209.293 0.959 10 0 BCAERO C[NH+](C)[C@H]1CCN(C(=O)[C@@H](N)C(F)(F)F)C1 ZINC000335053491 385952247 /nfs/dbraw/zinc/95/22/47/385952247.db2.gz XKLAVGRCGOPSJW-NKWVEPMBSA-N 1 0 239.241 0.039 10 0 BCAERO CC(C)[C@H](C)NC(=O)CN1CCC[C@H]1C[NH3+] ZINC000251337464 385964452 /nfs/dbraw/zinc/96/44/52/385964452.db2.gz PMKHMCOTWBFSOQ-QWRGUYRKSA-N 1 0 227.352 0.570 10 0 BCAERO Cc1nnsc1C[NH2+]C[C@H]1CN(C)CCO1 ZINC000309263158 385999620 /nfs/dbraw/zinc/99/96/20/385999620.db2.gz IPWMRCBCADYCLJ-VIFPVBQESA-N 1 0 242.348 0.267 10 0 BCAERO C[C@H]1CN(C(=O)c2ccncc2)C[C@H]1C[NH3+] ZINC000638893623 386008874 /nfs/dbraw/zinc/00/88/74/386008874.db2.gz LOQVUZUGFYOJBE-GXSJLCMTSA-N 1 0 219.288 0.748 10 0 BCAERO COc1ncccc1C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000638904790 386011047 /nfs/dbraw/zinc/01/10/47/386011047.db2.gz RTSZNUCIANMALS-NXEZZACHSA-N 1 0 249.314 0.757 10 0 BCAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]C[C@@H]1CCCO1 ZINC000336752429 386017337 /nfs/dbraw/zinc/01/73/37/386017337.db2.gz GVSQMAQNURALOM-GUBZILKMSA-N 1 0 212.293 0.422 10 0 BCAERO NC(=O)N1CCO[C@H](c2cccnc2N)C1 ZINC000616643852 386028166 /nfs/dbraw/zinc/02/81/66/386028166.db2.gz CZTQATAYRVZFEK-QMMMGPOBSA-N 1 0 222.248 0.116 10 0 BCAERO COC(=O)CCCN1C[C@@H](C)[C@@H]([NH+](C)C)C1 ZINC000124430448 386051677 /nfs/dbraw/zinc/05/16/77/386051677.db2.gz POJCMFGFPOVGQS-MNOVXSKESA-N 1 0 228.336 0.822 10 0 BCAERO CCn1c(C)nnc1CN(C)C1(C[NH3+])CCC1 ZINC000647985259 386101488 /nfs/dbraw/zinc/10/14/88/386101488.db2.gz IEBMJXOUIGIWAD-UHFFFAOYSA-N 1 0 237.351 0.920 10 0 BCAERO C[NH2+][C@@H](C(N)=O)c1cc(C)c(O)c(C)c1 ZINC000037870002 386108670 /nfs/dbraw/zinc/10/86/70/386108670.db2.gz NKWLWOTWNXXQJN-SECBINFHSA-N 1 0 208.261 0.755 10 0 BCAERO C[C@H]1SCCN(CC2C[NH2+]C2)C1=O ZINC000575566346 386085274 /nfs/dbraw/zinc/08/52/74/386085274.db2.gz GOFOHCXFBKNZHF-SSDOTTSWSA-N 1 0 200.307 0.170 10 0 BCAERO Cc1nc(N)nc(N2C[C@@H](C)[C@H]([NH+](C)C)C2)n1 ZINC000310095051 386096726 /nfs/dbraw/zinc/09/67/26/386096726.db2.gz HQVHIHLWJXYQQH-VXNVDRBHSA-N 1 0 236.323 0.149 10 0 BCAERO CCC[C@H](NC(=O)C[C@@H]1CCC[NH2+]C1)C(N)=O ZINC000310222835 386163645 /nfs/dbraw/zinc/16/36/45/386163645.db2.gz NOJZRKVSVAQJBU-UWVGGRQHSA-N 1 0 241.335 0.146 10 0 BCAERO CCN(CC[NH3+])c1ncncc1Cl ZINC000163569430 386173887 /nfs/dbraw/zinc/17/38/87/386173887.db2.gz UAKRVZYWWUINFY-UHFFFAOYSA-N 1 0 200.673 0.915 10 0 BCAERO COC(=O)[C@H]1CCC[N@H+](CC(C)(C)O)C1 ZINC000097989666 386209076 /nfs/dbraw/zinc/20/90/76/386209076.db2.gz QJGURPPXDFGQOM-VIFPVBQESA-N 1 0 215.293 0.642 10 0 BCAERO [NH3+][C@@H]1CCC[C@@H]1[S@@](=O)[C@@H]1CCOC1 ZINC000575578193 386213268 /nfs/dbraw/zinc/21/32/68/386213268.db2.gz SRECYEQOIQCHAT-SKNMHBRKSA-N 1 0 203.307 0.404 10 0 BCAERO CCC[C@@H]1C[C@H]1NC(=O)C[NH2+]CCOC ZINC000226379700 386239344 /nfs/dbraw/zinc/23/93/44/386239344.db2.gz JKDMPRFABFGIII-NXEZZACHSA-N 1 0 214.309 0.527 10 0 BCAERO COC(=O)[C@@H]1CCCCN1CCC[NH3+] ZINC000125297923 386244346 /nfs/dbraw/zinc/24/43/46/386244346.db2.gz PLHPUFVPKXBZRT-VIFPVBQESA-N 1 0 200.282 0.363 10 0 BCAERO C[N@H+](C[C@@H]1CCC[C@@H]1O)CC1(O)CCC1 ZINC000336643019 386248242 /nfs/dbraw/zinc/24/82/42/386248242.db2.gz BIMVCHMXVMQWEY-QWRGUYRKSA-N 1 0 213.321 0.994 10 0 BCAERO Cc1cnc(C(=O)N2CCC[C@H]2C[NH3+])cn1 ZINC000132869604 386255813 /nfs/dbraw/zinc/25/58/13/386255813.db2.gz RMIFVOIOYVEBSX-VIFPVBQESA-N 1 0 220.276 0.348 10 0 BCAERO CN(C[C@@H]1CCCOC1)C(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000091539768 386300007 /nfs/dbraw/zinc/30/00/07/386300007.db2.gz RHLOLBCCQKZGFD-TUAOUCFPSA-N 1 0 240.347 0.999 10 0 BCAERO COC(=O)[C@H](C)CN(C)C(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000091545065 386300902 /nfs/dbraw/zinc/30/09/02/386300902.db2.gz OHPSUZOSHCAUFW-UTLUCORTSA-N 1 0 242.319 0.381 10 0 BCAERO [NH3+][C@H]1COCC[C@H]1N1C(=O)c2ccccc2C1=O ZINC000575588463 386309958 /nfs/dbraw/zinc/30/99/58/386309958.db2.gz PTYQGBYYSSLWMI-WDEREUQCSA-N 1 0 246.266 0.399 10 0 BCAERO O=C(NCc1ccccc1)NC[C@H]1C[NH2+]C[C@H]1O ZINC000416439115 386316346 /nfs/dbraw/zinc/31/63/46/386316346.db2.gz PYUFEWHUYYZKET-VXGBXAGGSA-N 1 0 249.314 0.066 10 0 BCAERO Cc1n[nH]cc1CN1CC[C@@H]([NH+](C)C)C1 ZINC000289517117 386321048 /nfs/dbraw/zinc/32/10/48/386321048.db2.gz VCBOEDRPGKQSEU-LLVKDONJSA-N 1 0 208.309 0.854 10 0 BCAERO COC[C@@H]1C[N@H+](CC2(O)CCC2)CCO1 ZINC000336654119 386272527 /nfs/dbraw/zinc/27/25/27/386272527.db2.gz ZJFRFRXHYDXESU-JTQLQIEISA-N 1 0 215.293 0.249 10 0 BCAERO C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1[C@@H](C)C(=O)[O-] ZINC000063196376 386364560 /nfs/dbraw/zinc/36/45/60/386364560.db2.gz WVXPOHNWVFGNLF-XHNCKOQMSA-N 1 0 200.282 0.661 10 0 BCAERO O=S1(=O)CCC[C@@H]([NH2+]C2CC(F)(F)C2)C1 ZINC000336731711 386327155 /nfs/dbraw/zinc/32/71/55/386327155.db2.gz LAKUXCFXAZETAJ-SSDOTTSWSA-N 1 0 239.287 0.951 10 0 BCAERO C[C@H]([NH2+]CCCC(=O)NC(N)=O)[C@@H]1CCCO1 ZINC000183196143 386329778 /nfs/dbraw/zinc/32/97/78/386329778.db2.gz POPZGSRXXQDNPA-IUCAKERBSA-N 1 0 243.307 0.119 10 0 BCAERO CCO[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000262569349 386336053 /nfs/dbraw/zinc/33/60/53/386336053.db2.gz GCSROBRHJRSTJU-WHOHXGKFSA-N 1 0 240.347 0.997 10 0 BCAERO COC(C)(C)CNC(=O)C1([NH3+])CCOCC1 ZINC000133644547 386338129 /nfs/dbraw/zinc/33/81/29/386338129.db2.gz FHDAHNTUPFLGOY-UHFFFAOYSA-N 1 0 230.308 0.036 10 0 BCAERO CC(C)[NH2+]C[C@H]([NH3+])C[C@@H](C)CC(=O)[O-] ZINC000521401004 386450995 /nfs/dbraw/zinc/45/09/95/386450995.db2.gz DPPAKUHDLLOUGS-RKDXNWHRSA-N 1 0 202.298 0.813 10 0 BCAERO CC(C)[NH2+]C[C@@H]([NH3+])C[C@H](C)CC(=O)[O-] ZINC000521401002 386451047 /nfs/dbraw/zinc/45/10/47/386451047.db2.gz DPPAKUHDLLOUGS-IUCAKERBSA-N 1 0 202.298 0.813 10 0 BCAERO CCCNC(=O)C[N@@H+]1C[C@H](O)CC[C@H]1C ZINC000399157810 386431204 /nfs/dbraw/zinc/43/12/04/386431204.db2.gz IWOSAWJUWNIMHL-NXEZZACHSA-N 1 0 214.309 0.358 10 0 BCAERO [NH3+]C[C@H]([C@@H]1CCSC1)N1CCOCC1 ZINC000215875098 386433087 /nfs/dbraw/zinc/43/30/87/386433087.db2.gz QBFHPLIXSRFREU-NXEZZACHSA-N 1 0 216.350 0.399 10 0 BCAERO CCCCNC(=O)C[N@@H+]1C[C@@H](O)CC[C@H]1C ZINC000399278262 386476019 /nfs/dbraw/zinc/47/60/19/386476019.db2.gz YUMHVUIHMLZFSY-MNOVXSKESA-N 1 0 228.336 0.748 10 0 BCAERO C[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1CCC[NH2+]C1 ZINC000061645022 386476207 /nfs/dbraw/zinc/47/62/07/386476207.db2.gz CLKRLHOOUJPSSF-NWDGAFQWSA-N 1 0 239.363 0.539 10 0 BCAERO [NH3+][C@H]1C[C@@H](C(=O)N2CCO[C@H]3CCCC[C@H]32)C1 ZINC000647994237 386513896 /nfs/dbraw/zinc/51/38/96/386513896.db2.gz YHLXAXVDLJFDOB-KXNHARMFSA-N 1 0 238.331 0.894 10 0 BCAERO [NH3+][C@H]1C[C@@H](C(=O)N2CCO[C@H]3CCCC[C@@H]32)C1 ZINC000647994240 386515795 /nfs/dbraw/zinc/51/57/95/386515795.db2.gz YHLXAXVDLJFDOB-USZNOCQGSA-N 1 0 238.331 0.894 10 0 BCAERO C[C@H](NC(=O)[C@]1(C)C[NH2+]CCO1)C1CC1 ZINC000637893613 386521085 /nfs/dbraw/zinc/52/10/85/386521085.db2.gz UTXKAKJXDLLZHW-KWQFWETISA-N 1 0 212.293 0.280 10 0 BCAERO CO[C@@H](C)C(=O)N1CCCC[C@H]1C[NH3+] ZINC000160923729 386588392 /nfs/dbraw/zinc/58/83/92/386588392.db2.gz CZSLULJUJGBOIP-IUCAKERBSA-N 1 0 200.282 0.361 10 0 BCAERO CC(=O)N1C[C@H]([NH3+])CC[C@H]1C(F)(F)F ZINC000238856743 386536530 /nfs/dbraw/zinc/53/65/30/386536530.db2.gz XBNMCHLRVSHTQD-RQJHMYQMSA-N 1 0 210.199 0.887 10 0 BCAERO [NH3+]C[C@@H]1C[C@H](F)CN1Cc1cncnc1 ZINC000238853776 386537174 /nfs/dbraw/zinc/53/71/74/386537174.db2.gz KYPKJXGLBZNHQP-UWVGGRQHSA-N 1 0 210.256 0.348 10 0 BCAERO CS(=O)(=O)C[C@@H]([NH3+])c1ccc(F)cc1 ZINC000052788778 386596880 /nfs/dbraw/zinc/59/68/80/386596880.db2.gz WWUIFSGWFJSHQL-SECBINFHSA-N 1 0 217.265 0.870 10 0 BCAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]C[C@@H](O)C(F)(F)F ZINC000336780722 386558758 /nfs/dbraw/zinc/55/87/58/386558758.db2.gz RVMBMTNBRWZCQO-LYFYHCNISA-N 1 0 240.225 0.166 10 0 BCAERO CN(CC(F)(F)F)C(=O)[C@@H]1CC[NH2+]C1 ZINC000062114235 386565867 /nfs/dbraw/zinc/56/58/67/386565867.db2.gz RMBPZHWKZBAGED-ZCFIWIBFSA-N 1 0 210.199 0.617 10 0 BCAERO C[C@]1(C(=O)N2CCn3ccnc3C2)CCCC[NH2+]1 ZINC000136206946 386571448 /nfs/dbraw/zinc/57/14/48/386571448.db2.gz PQVZXVZGGQYQAF-CYBMUJFWSA-N 1 0 248.330 0.758 10 0 BCAERO Cc1ccccc1C(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000335497214 386621709 /nfs/dbraw/zinc/62/17/09/386621709.db2.gz RDUURDXJHDQNSG-QWHCGFSZSA-N 1 0 246.310 0.808 10 0 BCAERO CC(C)(C)CC(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000335497702 386623857 /nfs/dbraw/zinc/62/38/57/386623857.db2.gz XWWYYINHPMUXGT-VHSXEESVSA-N 1 0 226.320 0.622 10 0 BCAERO CCC[C@@H](C(=O)N[C@H]1CCOC1)[NH+](C)C ZINC000179265208 386630449 /nfs/dbraw/zinc/63/04/49/386630449.db2.gz WPGSCXAWIIYQHZ-UWVGGRQHSA-N 1 0 214.309 0.622 10 0 BCAERO CCC[C@H]([NH3+])C(=O)NCCCO[C@H]1CCOC1 ZINC000119609916 386636419 /nfs/dbraw/zinc/63/64/19/386636419.db2.gz XFYNZLZQUCPVHO-QWRGUYRKSA-N 1 0 244.335 0.426 10 0 BCAERO C[C@@H]1[NH2+]CC[C@@H]1NC(=O)CC(F)(F)F ZINC000307419347 386647619 /nfs/dbraw/zinc/64/76/19/386647619.db2.gz HLBIBJHRKSHSHT-WDSKDSINSA-N 1 0 210.199 0.805 10 0 BCAERO CCN(CC[NH3+])c1ncc(Cl)cn1 ZINC000168153006 386648451 /nfs/dbraw/zinc/64/84/51/386648451.db2.gz VVRIQJBDSVTWOU-UHFFFAOYSA-N 1 0 200.673 0.915 10 0 BCAERO C[C@H]([NH2+][C@H](CO)c1ccccc1)C(N)=O ZINC000063002771 386676140 /nfs/dbraw/zinc/67/61/40/386676140.db2.gz YIPLAAVQXVKLTE-WCBMZHEXSA-N 1 0 208.261 0.183 10 0 BCAERO c1nc2c([nH]1)C[C@H]([NH2+][C@@H]1CCOC1)CC2 ZINC000336760529 386734142 /nfs/dbraw/zinc/73/41/42/386734142.db2.gz MFIMBEAIKUMTCA-RKDXNWHRSA-N 1 0 207.277 0.646 10 0 BCAERO Cc1noc(C)c1CC(=O)N1CCC[C@H]1C[NH3+] ZINC000122310736 386740721 /nfs/dbraw/zinc/74/07/21/386740721.db2.gz DDESXZAAUMDGGH-JTQLQIEISA-N 1 0 237.303 0.784 10 0 BCAERO C[C@@H]1[N@H+](Cc2ccccc2)CC[C@]12C[NH+]=C(N)N2 ZINC000307582475 386737757 /nfs/dbraw/zinc/73/77/57/386737757.db2.gz VEAQIRNLMVPVIR-FZMZJTMJSA-N 1 0 244.342 0.938 10 0 BCAERO C[C@]1([C@H]2OC[C@H](C[NH3+])O2)CCCS1 ZINC000306705620 386740165 /nfs/dbraw/zinc/74/01/65/386740165.db2.gz KYNDHRRZGCKTMC-XHNCKOQMSA-N 1 0 203.307 0.972 10 0 BCAERO C[C@@H]1OCC[C@H]1NC(=O)N1CCC[C@H]1C[NH3+] ZINC000417953450 386751814 /nfs/dbraw/zinc/75/18/14/386751814.db2.gz PODKBDIZUBAJNO-LPEHRKFASA-N 1 0 227.308 0.297 10 0 BCAERO CC[C@H](O)C[NH2+][C@H]1CCC(=O)N[C@H]1C ZINC000336664572 386760898 /nfs/dbraw/zinc/76/08/98/386760898.db2.gz UUHVWTJUMCBDCR-CIUDSAMLSA-N 1 0 200.282 0.014 10 0 BCAERO CSCCC[NH2+][C@@H]1CCC(=O)N[C@@H]1C ZINC000336667295 386781680 /nfs/dbraw/zinc/78/16/80/386781680.db2.gz WDPPWWIDQICTFL-RKDXNWHRSA-N 1 0 216.350 0.996 10 0 BCAERO C[C@@H]1OCC[C@@H]1NC(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000417958871 386820935 /nfs/dbraw/zinc/82/09/35/386820935.db2.gz VMUDEXKHMUIDHB-XKNYDFJKSA-N 1 0 227.308 0.295 10 0 BCAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)N[C@H]1CCO[C@H]1C ZINC000417958869 386823432 /nfs/dbraw/zinc/82/34/32/386823432.db2.gz VMUDEXKHMUIDHB-RGOKHQFPSA-N 1 0 227.308 0.295 10 0 BCAERO O[C@@]1(Cn2cc(Br)cn2)CC[NH2+]C1 ZINC000575453051 386814590 /nfs/dbraw/zinc/81/45/90/386814590.db2.gz GTWOLLJTUWCFGP-QMMMGPOBSA-N 1 0 246.108 0.370 10 0 BCAERO [NH3+][C@H]1CC=C(C(=O)N[C@@H]2CCCOC2)C1 ZINC000637981025 386835391 /nfs/dbraw/zinc/83/53/91/386835391.db2.gz CIEHINRJNFEPDR-VHSXEESVSA-N 1 0 210.277 0.329 10 0 BCAERO F[C@H]1CCN(C[C@H]2CSCC[NH2+]2)C1 ZINC000575453729 386838940 /nfs/dbraw/zinc/83/89/40/386838940.db2.gz NCPLMFSXKZEZJA-IUCAKERBSA-N 1 0 204.314 0.735 10 0 BCAERO [NH3+][C@H]1C[C@@H](C(=O)N[C@H]2CCC[C@H](O)C2)C1 ZINC000647980207 386872627 /nfs/dbraw/zinc/87/26/27/386872627.db2.gz MELOCFHBQVASIY-JXUBOQSCSA-N 1 0 212.293 0.143 10 0 BCAERO C[NH+](C)CC(=O)N[C@@H]1CCCC[C@@H]1CO ZINC000157199319 386913721 /nfs/dbraw/zinc/91/37/21/386913721.db2.gz KVSPXCANLWSSDI-NXEZZACHSA-N 1 0 214.309 0.215 10 0 BCAERO CC[N@H+](CCO)CCNc1nc(C)cnc1C ZINC000302225613 386917532 /nfs/dbraw/zinc/91/75/32/386917532.db2.gz RPUXGHYMDWSEQS-UHFFFAOYSA-N 1 0 238.335 0.820 10 0 BCAERO C[NH+](C)[C@@H]1CCN(c2nccc(CO)n2)C1 ZINC000341384814 386899002 /nfs/dbraw/zinc/89/90/02/386899002.db2.gz YBMDWJLJUYAVTQ-SNVBAGLBSA-N 1 0 222.292 0.109 10 0 BCAERO CO[C@H](C)C(=O)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186502236 386956019 /nfs/dbraw/zinc/95/60/19/386956019.db2.gz MFRSGKFZLUISRX-NXEZZACHSA-N 1 0 226.320 0.764 10 0 BCAERO CC[C@@H](C)C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000116789679 386976377 /nfs/dbraw/zinc/97/63/77/386976377.db2.gz PHSRDLZWLURJNZ-GHMZBOCLSA-N 1 0 228.336 0.822 10 0 BCAERO CC(C)C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000116787877 386977364 /nfs/dbraw/zinc/97/73/64/386977364.db2.gz MZVWBAPHSQWING-SNVBAGLBSA-N 1 0 214.309 0.431 10 0 BCAERO COC(=O)CC[N@@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000398738735 386981165 /nfs/dbraw/zinc/98/11/65/386981165.db2.gz YIHQRZABQCTVRC-DCAQKATOSA-N 1 0 227.304 0.642 10 0 BCAERO CN(C)C(=O)C[N@@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000398744791 386982948 /nfs/dbraw/zinc/98/29/48/386982948.db2.gz RMRRCMHXBYJWTK-DCAQKATOSA-N 1 0 226.320 0.167 10 0 BCAERO O[C@@H]1CC[C@H]2C[N@H+](CCn3cccn3)C[C@H]2C1 ZINC000398802838 386996870 /nfs/dbraw/zinc/99/68/70/386996870.db2.gz RUHBARUBUYKQDP-YNEHKIRRSA-N 1 0 235.331 0.976 10 0 BCAERO COC[C@@H]1CCCN1C(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000648100301 387000009 /nfs/dbraw/zinc/00/00/09/387000009.db2.gz OAHMEDACIIOTLL-WOPDTQHZSA-N 1 0 240.347 0.999 10 0 BCAERO CN(C[C@@H]1CCCOC1)C(=O)[C@H]1CCC[NH2+]C1 ZINC000104196156 387000664 /nfs/dbraw/zinc/00/06/64/387000664.db2.gz UVFNGMZMAKARHS-RYUDHWBXSA-N 1 0 240.347 0.871 10 0 BCAERO Cn1ncc(N2CC[C@H]([NH3+])C2)c1Br ZINC000575456860 387031160 /nfs/dbraw/zinc/03/11/60/387031160.db2.gz XMMOEKIBPRXDEH-LURJTMIESA-N 1 0 245.124 0.720 10 0 BCAERO CCOC[C@H]1C[N@H+](C[C@](C)(O)CC)CCO1 ZINC000528725636 387046356 /nfs/dbraw/zinc/04/63/56/387046356.db2.gz RSUMOOPOBWKREW-VXGBXAGGSA-N 1 0 231.336 0.885 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)NC1CSC1 ZINC000575579459 387048090 /nfs/dbraw/zinc/04/80/90/387048090.db2.gz LBSTUNCDSJVVEZ-HTRCEHHLSA-N 1 0 200.307 0.074 10 0 BCAERO Cn1ccc(-c2cc[n+](C)cc2)cc1=O ZINC000006072414 387049523 /nfs/dbraw/zinc/04/95/23/387049523.db2.gz JJAUDUMTDBMCJW-UHFFFAOYSA-N 1 0 201.249 0.877 10 0 endogenous,in-man BCAERO COC(C)(C)CNC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188582760 387051163 /nfs/dbraw/zinc/05/11/63/387051163.db2.gz PVPGYLYUJULEKH-JGVFFNPUSA-N 1 0 218.272 0.228 10 0 BCAERO NC(=[NH2+])Nc1cccc([C@H]([NH3+])CC(=O)[O-])c1 ZINC000575434178 387058519 /nfs/dbraw/zinc/05/85/19/387058519.db2.gz PHVRBIIQHOZPCR-MRVPVSSYSA-N 1 0 222.248 0.466 10 0 BCAERO C[NH2+][C@H]1CCCN(S(=O)(=O)C(F)F)C1 ZINC000053203144 387023065 /nfs/dbraw/zinc/02/30/65/387023065.db2.gz YAYSLRODFTTZFN-LURJTMIESA-N 1 0 228.264 0.223 10 0 BCAERO O[C@H](c1cscn1)[C@@H]1C[NH2+]CCS1 ZINC000575458428 387026096 /nfs/dbraw/zinc/02/60/96/387026096.db2.gz SLVYZUMEZAPPDQ-JGVFFNPUSA-N 1 0 216.331 0.882 10 0 BCAERO O=C(NCc1ccccc1)[C@]12C[NH2+]C[C@@H]1CCO2 ZINC000575456405 387026710 /nfs/dbraw/zinc/02/67/10/387026710.db2.gz UXBPHOWBAKSKPK-JSGCOSHPSA-N 1 0 246.310 0.681 10 0 BCAERO [NH3+][C@@H]1COC[C@H]1[C@@H](O)c1cnsc1 ZINC000575456487 387027185 /nfs/dbraw/zinc/02/71/85/387027185.db2.gz YQTUDJDBJPPRFS-PRJMDXOYSA-N 1 0 200.263 0.150 10 0 BCAERO Cc1noc(CNC(=O)[C@@H]2CCC[C@H]([NH3+])C2)n1 ZINC000070576844 387069683 /nfs/dbraw/zinc/06/96/83/387069683.db2.gz WROYJUZPPQRPIS-BDAKNGLRSA-N 1 0 238.291 0.512 10 0 BCAERO C[C@@H]1C[C@]1([NH3+])C[C@@H]1CCCS1(=O)=O ZINC000575468701 387087256 /nfs/dbraw/zinc/08/72/56/387087256.db2.gz NJNAYNZUJVNQHI-VGMNWLOBSA-N 1 0 203.307 0.691 10 0 BCAERO COc1cc(N2C[C@@H](C[NH3+])C[C@H]2C)ncn1 ZINC000127006466 387092263 /nfs/dbraw/zinc/09/22/63/387092263.db2.gz IIQKPUNGELMUJK-RKDXNWHRSA-N 1 0 222.292 0.659 10 0 BCAERO COC(=O)c1ccc(NC(=O)C[NH3+])c(F)c1 ZINC000575436374 387102930 /nfs/dbraw/zinc/10/29/30/387102930.db2.gz GXDPOSWMZQLNLT-UHFFFAOYSA-N 1 0 226.207 0.510 10 0 BCAERO [NH3+][C@@H]1COC[C@H]1[C@@H](O)c1cscn1 ZINC000575471742 387108195 /nfs/dbraw/zinc/10/81/95/387108195.db2.gz BIQPHMXOBYQPQC-ATRFCDNQSA-N 1 0 200.263 0.150 10 0 BCAERO FC(F)(Br)CN[C@@H]1CC[NH2+]C1 ZINC000575472068 387110361 /nfs/dbraw/zinc/11/03/61/387110361.db2.gz IMOHJDDGAOAGQI-RXMQYKEDSA-N 1 0 229.068 0.926 10 0 BCAERO CC[S@@](=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000575471947 387110461 /nfs/dbraw/zinc/11/04/61/387110461.db2.gz LFJMWNFGDUUYPF-NOZJJQNGSA-N 1 0 204.339 0.873 10 0 BCAERO C[NH+](C)C[C@@H]1CN(CCOCC2CC2)CCO1 ZINC000119298386 387113939 /nfs/dbraw/zinc/11/39/39/387113939.db2.gz DUXBMDCLDUSTAW-CYBMUJFWSA-N 1 0 242.363 0.675 10 0 BCAERO COC[C@H]([NH3+])C(=O)N1CCCC[C@H](C)C1 ZINC000335027774 387120928 /nfs/dbraw/zinc/12/09/28/387120928.db2.gz JRKLZTRVBWPSKY-UWVGGRQHSA-N 1 0 214.309 0.609 10 0 BCAERO C[C@@H]([NH2+]C[C@@H](O)COC(C)(C)C)[C@H](C)CO ZINC000228725819 387121643 /nfs/dbraw/zinc/12/16/43/387121643.db2.gz PLCVHMXAKPZAHN-GMTAPVOTSA-N 1 0 233.352 0.769 10 0 BCAERO CC[C@H](C)n1[nH]c(=O)c2c1C[NH2+]C[C@@H]2N ZINC000536955917 387169394 /nfs/dbraw/zinc/16/93/94/387169394.db2.gz VOAMCACZTVDZIA-BQBZGAKWSA-N 1 0 210.281 0.663 10 0 BCAERO C[C@@H]1CN(C(N)=S)CC[C@@H]1[NH+](C)C ZINC000575479172 387176801 /nfs/dbraw/zinc/17/68/01/387176801.db2.gz FQCOWMBAQCJUQW-SFYZADRCSA-N 1 0 201.339 0.502 10 0 BCAERO CCCCOC[C@H](O)C[N@H+](C)[C@H]1CCOC1 ZINC000300229141 387181521 /nfs/dbraw/zinc/18/15/21/387181521.db2.gz OJCDXZZATCQXOL-NWDGAFQWSA-N 1 0 231.336 0.885 10 0 BCAERO Cc1ccncc1C(=O)NC[C@@H]1CC[NH2+]C1 ZINC000336356300 387185505 /nfs/dbraw/zinc/18/55/05/387185505.db2.gz INXHFMODXJEROV-SNVBAGLBSA-N 1 0 219.288 0.729 10 0 BCAERO CC1(C)C[C@@]1([NH3+])[C@H]1CCS(=O)(=O)C1 ZINC000575589374 387186052 /nfs/dbraw/zinc/18/60/52/387186052.db2.gz RUIDNOJAAMKPHK-IONNQARKSA-N 1 0 203.307 0.549 10 0 BCAERO CCCCOC[C@H](O)C[N@H+](C)CCO ZINC000193247748 387186967 /nfs/dbraw/zinc/18/69/67/387186967.db2.gz SGCMAPAPDPCMMW-SNVBAGLBSA-N 1 0 205.298 0.088 10 0 BCAERO C[C@@H]1CCC[C@H]1C(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000230175441 387239882 /nfs/dbraw/zinc/23/98/82/387239882.db2.gz YYVPKRRJULYLLR-NQBHXWOUSA-N 1 0 242.363 0.851 10 0 BCAERO CC[C@](C)(O)C[N@H+](CCO)CC1CC1 ZINC000352491032 387249620 /nfs/dbraw/zinc/24/96/20/387249620.db2.gz NHIXVQYFIYIZSG-NSHDSACASA-N 1 0 201.310 0.852 10 0 BCAERO COCC[C@](C)(O)C[NH2+]Cc1cnn(C)c1C ZINC000229811294 387199810 /nfs/dbraw/zinc/19/98/10/387199810.db2.gz IKYNQRTUSSKYJT-LBPRGKRZSA-N 1 0 241.335 0.606 10 0 BCAERO CC1(C[C@H]2CCCS2(=O)=O)C[NH2+]C1 ZINC000575495821 387312016 /nfs/dbraw/zinc/31/20/16/387312016.db2.gz CFGIJMNOGXISPU-MRVPVSSYSA-N 1 0 203.307 0.563 10 0 BCAERO C[C@H]([NH2+][C@H]1CCC(=O)N[C@@H]1C)c1nccn1C ZINC000393066779 387312117 /nfs/dbraw/zinc/31/21/17/387312117.db2.gz YACSCAWKKBXBLE-UTLUCORTSA-N 1 0 236.319 0.738 10 0 BCAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1nncn1C ZINC000162106429 387315693 /nfs/dbraw/zinc/31/56/93/387315693.db2.gz MLEHTSREFRHFHO-VXGBXAGGSA-N 1 0 249.362 0.874 10 0 BCAERO O=S1(=O)CCC[C@@H]([NH2+]C2CC2)CC1 ZINC000575487598 387256368 /nfs/dbraw/zinc/25/63/68/387256368.db2.gz MYGDSMAEJATQSX-MRVPVSSYSA-N 1 0 203.307 0.706 10 0 BCAERO CC[C@](C)([NH3+])C(=O)Nc1csnn1 ZINC000575493080 387271231 /nfs/dbraw/zinc/27/12/31/387271231.db2.gz OHRDGTXSPQSFCQ-ZETCQYMHSA-N 1 0 200.267 0.604 10 0 BCAERO Cc1noc(C)c1CC[N@@H+]1C[C@H](O)C[C@@H]1CO ZINC000360471158 387292276 /nfs/dbraw/zinc/29/22/76/387292276.db2.gz YOTVMIOATNBTLA-GHMZBOCLSA-N 1 0 240.303 0.261 10 0 BCAERO CCn1nccc1C[NH2+][C@@H]1CCC(=O)N[C@H]1C ZINC000392963218 387305087 /nfs/dbraw/zinc/30/50/87/387305087.db2.gz PZEIMBLOXBACKQ-GXSJLCMTSA-N 1 0 236.319 0.660 10 0 BCAERO CC[C@H](C)NC(=O)C[NH2+][C@@H]1CCC(=O)N[C@H]1C ZINC000392949678 387305385 /nfs/dbraw/zinc/30/53/85/387305385.db2.gz ZFISJHMMGYINTE-LPEHRKFASA-N 1 0 241.335 0.158 10 0 BCAERO CCCNC(=O)[C@H](C)[NH2+][C@@H]1CCC(=O)N[C@@H]1C ZINC000393002375 387307653 /nfs/dbraw/zinc/30/76/53/387307653.db2.gz LUNNNHRKNSKASC-KXUCPTDWSA-N 1 0 241.335 0.158 10 0 BCAERO CCN(CC)C(=O)C[NH2+][C@@H]1CCC(=O)N[C@@H]1C ZINC000393000867 387307922 /nfs/dbraw/zinc/30/79/22/387307922.db2.gz KPIUVLILMVNAFD-NXEZZACHSA-N 1 0 241.335 0.112 10 0 BCAERO C[C@H](O)CC[NH2+][C@@H]1CCC(=O)N[C@H]1C ZINC000393025208 387309429 /nfs/dbraw/zinc/30/94/29/387309429.db2.gz HZYXYCFZVCIPBK-XHNCKOQMSA-N 1 0 200.282 0.014 10 0 BCAERO [NH3+][C@@]1([C@H](O)c2cnsc2)CCOC1 ZINC000575504202 387355817 /nfs/dbraw/zinc/35/58/17/387355817.db2.gz FJGXUJDUGGRACO-SFYZADRCSA-N 1 0 200.263 0.294 10 0 BCAERO COc1ncc([C@H]2C[C@H]([NH3+])CO2)s1 ZINC000575508123 387371372 /nfs/dbraw/zinc/37/13/72/387371372.db2.gz KINWELODXLONRD-NTSWFWBYSA-N 1 0 200.263 0.940 10 0 BCAERO C/C(=C\[C@@H]1CCCS1(=O)=O)[C@H](C)[NH3+] ZINC000575497141 387325773 /nfs/dbraw/zinc/32/57/73/387325773.db2.gz WAMJXVRDIOXVDR-YKAJXJTPSA-N 1 0 203.307 0.857 10 0 BCAERO C[C@H]1CC[N@H+](CC(N)=S)C[C@H](C)O1 ZINC000575498891 387343962 /nfs/dbraw/zinc/34/39/62/387343962.db2.gz ANJYQZNAROWINH-YUMQZZPRSA-N 1 0 202.323 0.772 10 0 BCAERO C[NH2+]CC(=O)Nc1cnn(C)c1Cl ZINC000575522867 387446989 /nfs/dbraw/zinc/44/69/89/387446989.db2.gz KFJKAEHZQQMHDC-UHFFFAOYSA-N 1 0 202.645 0.231 10 0 BCAERO CC(C)OCCC(=O)N1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000423945148 387454850 /nfs/dbraw/zinc/45/48/50/387454850.db2.gz HVTACPBFXNRLRD-ZJUUUORDSA-N 1 0 214.309 0.607 10 0 BCAERO C[C@H]([NH3+])C(=O)Nc1cnn(C)c1Cl ZINC000575523625 387457422 /nfs/dbraw/zinc/45/74/22/387457422.db2.gz UDPHWJXVLJGGCR-BYPYZUCNSA-N 1 0 202.645 0.359 10 0 BCAERO Cn1nc(Br)cc1[C@H]1C[C@H]([NH3+])CO1 ZINC000575509202 387392532 /nfs/dbraw/zinc/39/25/32/387392532.db2.gz SPCXLWIKJYFHHA-CAHLUQPWSA-N 1 0 246.108 0.971 10 0 BCAERO CC[C@H](C)[C@@H]([NH3+])C(=O)NCc1cc(C)n[nH]1 ZINC000648079601 387507682 /nfs/dbraw/zinc/50/76/82/387507682.db2.gz CNBDYMXWUHZHGE-OIBJUYFYSA-N 1 0 224.308 0.708 10 0 BCAERO Cc1cc(CNC(=O)[C@@H]2CC[C@H]([NH3+])C2)[nH]n1 ZINC000648079854 387510577 /nfs/dbraw/zinc/51/05/77/387510577.db2.gz YPBPCJWAWFLWIK-BDAKNGLRSA-N 1 0 222.292 0.462 10 0 BCAERO C[C@H]1CN(C)C[C@@H](CNC(=O)C(F)(F)F)O1 ZINC000575526631 387536167 /nfs/dbraw/zinc/53/61/67/387536167.db2.gz XEBSOZLCZJXDPI-NKWVEPMBSA-N 1 0 240.225 0.384 10 0 BCAERO Cn1nnc(Br)c1[C@@H]1COC[C@H]1[NH3+] ZINC000575529842 387541721 /nfs/dbraw/zinc/54/17/21/387541721.db2.gz FFQVCBYBKYTPLB-RFZPGFLSSA-N 1 0 247.096 0.019 10 0 BCAERO C[C@@H]1CCN1C(=O)[C@@H]1CSCC[NH2+]1 ZINC000575538790 387582746 /nfs/dbraw/zinc/58/27/46/387582746.db2.gz PXQYHGSMOMEEAB-SFYZADRCSA-N 1 0 200.307 0.312 10 0 BCAERO CC[C@](C)(O)CN1CCO[C@H](C[NH+](C)C)C1 ZINC000123570562 387586907 /nfs/dbraw/zinc/58/69/07/387586907.db2.gz RXQLWNOIPSFWHA-NEPJUHHUSA-N 1 0 230.352 0.410 10 0 BCAERO C[NH2+][C@@H]1CCCN(C2CSC2)C1=O ZINC000575543729 387592917 /nfs/dbraw/zinc/59/29/17/387592917.db2.gz DEUGFYAOYMNKHC-MRVPVSSYSA-N 1 0 200.307 0.312 10 0 BCAERO Cc1cc(C[NH2+][C@H]2CCCN(CCO)C2)ccn1 ZINC000527535448 387628678 /nfs/dbraw/zinc/62/86/78/387628678.db2.gz TZIFVMQUFRMHDX-AWEZNQCLSA-N 1 0 249.358 0.936 10 0 BCAERO CC[C@@H](C)OCC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000124020132 387603396 /nfs/dbraw/zinc/60/33/96/387603396.db2.gz IOCGJPJLCXYTKB-MNOVXSKESA-N 1 0 228.336 0.964 10 0 BCAERO C[C@@H]([NH3+])C(=O)N[C@@H]1CC[C@@H](C)SC1 ZINC000575534180 387556005 /nfs/dbraw/zinc/55/60/05/387556005.db2.gz IBWLKMKHUSBMJI-BWZBUEFSSA-N 1 0 202.323 0.734 10 0 BCAERO C[C@@H]1C[C@H]1NC(=O)[C@@H]1C[NH2+]CCS1 ZINC000575534906 387574601 /nfs/dbraw/zinc/57/46/01/387574601.db2.gz SQOBFYFXCNJWFW-PRJMDXOYSA-N 1 0 200.307 0.216 10 0 BCAERO C[C@@H]1C[C@H]1NC(=O)[C@H]1C[NH2+]CCS1 ZINC000575534903 387574712 /nfs/dbraw/zinc/57/47/12/387574712.db2.gz SQOBFYFXCNJWFW-BWZBUEFSSA-N 1 0 200.307 0.216 10 0 BCAERO CC[C@H](C)[C@@]1([NH3+])CCS(=O)(=O)[C@H]1C ZINC000575548208 387643931 /nfs/dbraw/zinc/64/39/31/387643931.db2.gz CFFXKOSKXFJXQR-CIUDSAMLSA-N 1 0 205.323 0.937 10 0 BCAERO [NH3+]C1(C2CCS(=O)(=O)CC2)CSC1 ZINC000575553755 387657523 /nfs/dbraw/zinc/65/75/23/387657523.db2.gz HCFVCROTYNYJAO-UHFFFAOYSA-N 1 0 221.347 0.256 10 0 BCAERO CC(C)[C@@]1([NH3+])CCCS(=O)(=O)CC1 ZINC000575569926 387744338 /nfs/dbraw/zinc/74/43/38/387744338.db2.gz RHETYTLRCJXJLI-SECBINFHSA-N 1 0 205.323 0.939 10 0 BCAERO CC(C)[C@]1([NH3+])CCCS(=O)(=O)CC1 ZINC000575569931 387745166 /nfs/dbraw/zinc/74/51/66/387745166.db2.gz RHETYTLRCJXJLI-VIFPVBQESA-N 1 0 205.323 0.939 10 0 BCAERO C/C(=C\C1CCS(=O)(=O)CC1)C[NH3+] ZINC000575574140 387752924 /nfs/dbraw/zinc/75/29/24/387752924.db2.gz JJRBXJAAVDMSIS-SOFGYWHQSA-N 1 0 203.307 0.716 10 0 BCAERO Cc1cc(C[NH2+][C@H]2CCC(=O)N[C@H]2C)nn1C ZINC000440966458 387719001 /nfs/dbraw/zinc/71/90/01/387719001.db2.gz YGVNUCCQQFCBAA-ONGXEEELSA-N 1 0 236.319 0.485 10 0 BCAERO C/C=C/[C@H]([NH3+])[C@@H]1CCCCS1(=O)=O ZINC000575569289 387730799 /nfs/dbraw/zinc/73/07/99/387730799.db2.gz STLCAZOTXGTUQN-GBJHPGTDSA-N 1 0 203.307 0.857 10 0 BCAERO CS[C@@H]1CC[C@@H]1N1CC[C@@H]([NH3+])C1=O ZINC000575566410 387733029 /nfs/dbraw/zinc/73/30/29/387733029.db2.gz RLXVUYKFLBGNSS-GJMOJQLCSA-N 1 0 200.307 0.440 10 0 BCAERO C[C@@H]1SCCN(CC2C[NH2+]C2)C1=O ZINC000575566348 387733608 /nfs/dbraw/zinc/73/36/08/387733608.db2.gz GOFOHCXFBKNZHF-ZETCQYMHSA-N 1 0 200.307 0.170 10 0 BCAERO Cc1cc(C[NH2+]CC2CC(O)C2)nn1C ZINC000527816310 387735718 /nfs/dbraw/zinc/73/57/18/387735718.db2.gz MTYGMWXMJHZKGL-UHFFFAOYSA-N 1 0 209.293 0.589 10 0 BCAERO C[C@@H]1C(=O)NN[C@]12CC[N@H+](Cc1ccccc1)C2 ZINC000575570195 387736703 /nfs/dbraw/zinc/73/67/03/387736703.db2.gz SHQAHSIJIIODDY-RISCZKNCSA-N 1 0 245.326 0.902 10 0 BCAERO C[C@H]1CSC[C@@H]1[NH2+][C@@H]1COC[C@H]1O ZINC000306308640 387771055 /nfs/dbraw/zinc/77/10/55/387771055.db2.gz OMZHLZFNXDKVSG-UYXSQOIJSA-N 1 0 203.307 0.087 10 0 BCAERO C[C@@H]1CSC[C@@H]1[NH2+][C@@H]1COC[C@H]1O ZINC000306308631 387784942 /nfs/dbraw/zinc/78/49/42/387784942.db2.gz OMZHLZFNXDKVSG-LURQLKTLSA-N 1 0 203.307 0.087 10 0 BCAERO O=C1NCCC[C@H]1[NH2+]Cc1cccc(O)c1 ZINC000050394529 387793669 /nfs/dbraw/zinc/79/36/69/387793669.db2.gz XZEIDGHIYCUNBU-LLVKDONJSA-N 1 0 220.272 0.760 10 0 BCAERO CC(C)OCC(=O)N1CCC[C@@H]1C[NH3+] ZINC000157662789 387862562 /nfs/dbraw/zinc/86/25/62/387862562.db2.gz QELKXKHRKYINMG-SECBINFHSA-N 1 0 200.282 0.361 10 0 BCAERO O=C(c1ccon1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000194524533 387889715 /nfs/dbraw/zinc/88/97/15/387889715.db2.gz JPLHYUHVYBIDRQ-SECBINFHSA-N 1 0 221.260 0.595 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)N[C@H](CC[NH3+])C(F)F)O1 ZINC000394823309 387899004 /nfs/dbraw/zinc/89/90/04/387899004.db2.gz VMLWBFHMODMDKX-BWZBUEFSSA-N 1 0 236.262 0.653 10 0 BCAERO CN1CCO[C@@H](CNC(=O)C[C@H]2C=CCC2)C1 ZINC000194628422 387887510 /nfs/dbraw/zinc/88/75/10/387887510.db2.gz DKMUOVWLDOVEFK-RYUDHWBXSA-N 1 0 238.331 0.790 10 0 BCAERO COCC(C)(C)NC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000158042702 387889000 /nfs/dbraw/zinc/88/90/00/387889000.db2.gz BDBNGJYKZHKKAX-RKDXNWHRSA-N 1 0 214.309 0.655 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)N[C@@H](CC[NH3+])C(F)F)O1 ZINC000394823313 387899998 /nfs/dbraw/zinc/89/99/98/387899998.db2.gz VMLWBFHMODMDKX-GJMOJQLCSA-N 1 0 236.262 0.653 10 0 BCAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C[C@H](O)COC ZINC000245555526 387959869 /nfs/dbraw/zinc/95/98/69/387959869.db2.gz CNSYELHAMINIEX-AGIUHOORSA-N 1 0 242.363 0.552 10 0 BCAERO Cc1cc(C(=O)N[C@@H]2CCC[NH2+][C@@H]2C)on1 ZINC000129442584 177804795 /nfs/dbraw/zinc/80/47/95/177804795.db2.gz RUFWKKFFJUELJN-RKDXNWHRSA-N 1 0 223.276 0.853 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)NCc1cccnc1 ZINC000082559008 388036710 /nfs/dbraw/zinc/03/67/10/388036710.db2.gz IRZCWXPLSGXCBZ-MWLCHTKSSA-N 1 0 219.288 0.553 10 0 BCAERO NC(=O)c1cc(NC[C@H]([NH3+])C2CC2)ccn1 ZINC000082594006 388037069 /nfs/dbraw/zinc/03/70/69/388037069.db2.gz KYCHMIIQGLCJEL-VIFPVBQESA-N 1 0 220.276 0.330 10 0 BCAERO CCOCC[N@@H+]1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000246284326 388028131 /nfs/dbraw/zinc/02/81/31/388028131.db2.gz AQDUPVDEUIZEGU-OLZOCXBDSA-N 1 0 242.363 0.675 10 0 BCAERO Cc1cc(C[NH2+]C[C@@H]2CCC[C@@H]2O)n(C)n1 ZINC000084244847 388076385 /nfs/dbraw/zinc/07/63/85/388076385.db2.gz CFECLCGVJRSMBA-JQWIXIFHSA-N 1 0 223.320 0.979 10 0 BCAERO C[C@@H]1[C@H]([NH3+])CCN1S(=O)(=O)CC1CC1 ZINC000261527445 135152420 /nfs/dbraw/zinc/15/24/20/135152420.db2.gz BGWZHEKJWHLSEO-VXNVDRBHSA-N 1 0 218.322 0.148 10 0 BCAERO [NH3+][C@H](CO)[C@H](O)c1ccc(Br)cc1 ZINC000085276128 388085757 /nfs/dbraw/zinc/08/57/57/388085757.db2.gz IRJUXZUUTWEEJZ-RKDXNWHRSA-N 1 0 246.104 0.802 10 0 BCAERO C[NH2+]C[C@@H]1CCCN1c1ccnc(N(C)C)n1 ZINC000085432505 388088166 /nfs/dbraw/zinc/08/81/66/388088166.db2.gz NZNZCKKDFZJTLR-JTQLQIEISA-N 1 0 235.335 0.731 10 0 BCAERO O=C1C[C@@H](Cc2ccccc2)[NH2+]CCN1 ZINC000082380317 388092208 /nfs/dbraw/zinc/09/22/08/388092208.db2.gz IIUUOYHKISGEEO-LLVKDONJSA-N 1 0 204.273 0.707 10 0 BCAERO C[C@@H]1C[NH2+][C@@H](C)CN1c1nccn2cnnc12 ZINC000086471508 388103016 /nfs/dbraw/zinc/10/30/16/388103016.db2.gz LKIQGWIARKDGEC-DTWKUNHWSA-N 1 0 232.291 0.311 10 0 BCAERO C[C@H]1CN(c2ccnc(C(N)=O)c2)[C@@H](C)C[NH2+]1 ZINC000086471451 388103437 /nfs/dbraw/zinc/10/34/37/388103437.db2.gz NKBLLMZGWZVBQD-IUCAKERBSA-N 1 0 234.303 0.367 10 0 BCAERO Cc1c(C[NH2+]CC[C@@H](C)[S@](C)=O)cnn1C ZINC000160168700 388049521 /nfs/dbraw/zinc/04/95/21/388049521.db2.gz YUROUZLNAAKFAB-JDNHERCYSA-N 1 0 243.376 0.975 10 0 BCAERO CC(C)[C@@H]([NH3+])CC(=O)N1CC[C@]2(CCOC2)C1 ZINC000646215327 388166013 /nfs/dbraw/zinc/16/60/13/388166013.db2.gz FISVXNAPBLTEHE-AAEUAGOBSA-N 1 0 240.347 0.999 10 0 BCAERO CNC(=O)CCC[NH2+]C[C@H](O)C(C)(C)C ZINC000324566173 388122464 /nfs/dbraw/zinc/12/24/64/388122464.db2.gz VJUVUPSTBDPGEE-VIFPVBQESA-N 1 0 216.325 0.509 10 0 BCAERO CC[C@](C)(O)C[N@H+](C)CCNC(=O)C(C)C ZINC000162194669 388123873 /nfs/dbraw/zinc/12/38/73/388123873.db2.gz JNOCGWACKKLXQN-LBPRGKRZSA-N 1 0 230.352 0.851 10 0 BCAERO COC[C@@H]1CN(C(=O)C[C@@H]([NH3+])C(C)C)CCO1 ZINC000646075030 388137274 /nfs/dbraw/zinc/13/72/74/388137274.db2.gz LHGLUDQYTWCHJR-WDEREUQCSA-N 1 0 244.335 0.234 10 0 BCAERO CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]([NH3+])C1 ZINC000084310507 256565089 /nfs/dbraw/zinc/56/50/89/256565089.db2.gz IZVUMRPAZPCMTK-JGVFFNPUSA-N 1 0 216.281 0.315 10 0 BCAERO COCCCOCC[N@H+](C)CC(C)(C)O ZINC000091101947 256576787 /nfs/dbraw/zinc/57/67/87/256576787.db2.gz DQPNMLALBXKOLG-UHFFFAOYSA-N 1 0 219.325 0.742 10 0 BCAERO NC(=S)[C@H]1CCC[N@@H+]([C@H]2CCOC2)C1 ZINC000251293592 388324367 /nfs/dbraw/zinc/32/43/67/388324367.db2.gz NYULFRJTIRHKOI-IUCAKERBSA-N 1 0 214.334 0.773 10 0 BCAERO CS(=O)(=O)Nc1ccc(F)c(C[NH3+])c1 ZINC000041230914 388277053 /nfs/dbraw/zinc/27/70/53/388277053.db2.gz ZWAXGIOKJBXDQW-UHFFFAOYSA-N 1 0 218.253 0.656 10 0 BCAERO COc1cccnc1N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000300047138 388346657 /nfs/dbraw/zinc/34/66/57/388346657.db2.gz CVABCAYQRPWNDC-RKDXNWHRSA-N 1 0 207.277 0.874 10 0 BCAERO CC1(C)C[NH2+][C@@H]1C(=O)N[C@@H]1CCC[C@H](O)C1 ZINC000646417279 388353760 /nfs/dbraw/zinc/35/37/60/388353760.db2.gz CFANKXUMWXIHNU-KXUCPTDWSA-N 1 0 226.320 0.404 10 0 BCAERO Cc1cn[nH]c1C[NH2+][C@H]1CCC(=O)N[C@@H]1C ZINC000290020594 388365482 /nfs/dbraw/zinc/36/54/82/388365482.db2.gz ZLOMPSVAQSSJBG-BDAKNGLRSA-N 1 0 222.292 0.475 10 0 BCAERO CC(C)S(=O)(=O)N1CCNC(C)(C)C1 ZINC000133183927 388379953 /nfs/dbraw/zinc/37/99/53/388379953.db2.gz DIRFELQHBQDMQV-UHFFFAOYSA-N 1 0 220.338 0.408 10 0 BCAERO CCC[C@H]([NH3+])C(=O)NC[C@H](C)C(=O)OC ZINC000236872562 388384701 /nfs/dbraw/zinc/38/47/01/388384701.db2.gz NXLCDOUVJNOLME-YUMQZZPRSA-N 1 0 216.281 0.039 10 0 BCAERO CCC[C@H]([NH3+])C(=O)NC[C@@H](O)[C@@H](C)CC ZINC000236869075 388384834 /nfs/dbraw/zinc/38/48/34/388384834.db2.gz VWUBNEVWKYBMMV-LPEHRKFASA-N 1 0 216.325 0.637 10 0 BCAERO CCc1nsc(N(C)CCOCC[NH3+])n1 ZINC000300943306 388394927 /nfs/dbraw/zinc/39/49/27/388394927.db2.gz DVZIPFNKOYWYQM-UHFFFAOYSA-N 1 0 230.337 0.512 10 0 BCAERO CC[C@@H](C)C[N@@H+]1CCC[C@@](O)(C(N)=O)C1 ZINC000375522267 388401893 /nfs/dbraw/zinc/40/18/93/388401893.db2.gz GNXPWROYYMRAAR-KOLCDFICSA-N 1 0 214.309 0.345 10 0 BCAERO [NH3+][C@@H](C(=O)N1CCn2ccnc2C1)C1CCC1 ZINC000335653868 388452984 /nfs/dbraw/zinc/45/29/84/388452984.db2.gz NTZNFOKANZFHAN-LLVKDONJSA-N 1 0 234.303 0.353 10 0 BCAERO C[C@@H]1C[NH+](CCCC(=O)NC(N)=O)C[C@@H](C)O1 ZINC000194985509 388458603 /nfs/dbraw/zinc/45/86/03/388458603.db2.gz CBENCFGJIZKPRB-RKDXNWHRSA-N 1 0 243.307 0.071 10 0 BCAERO O=c1[nH]c(N[C@H]2CC[NH2+]C2)nc2ccccc21 ZINC000073668236 388461973 /nfs/dbraw/zinc/46/19/73/388461973.db2.gz QKKKOGDBFPBWSX-QMMMGPOBSA-N 1 0 230.271 0.697 10 0 BCAERO COC[C@H](NC(=O)[C@H]1CCC[NH2+]C1)C(C)C ZINC000083398954 256752534 /nfs/dbraw/zinc/75/25/34/256752534.db2.gz MZPMPFQSGXBRHK-QWRGUYRKSA-N 1 0 228.336 0.773 10 0 BCAERO Cc1c(C[NH2+]C[C@@H](O)C2CCC2)cnn1C ZINC000316268997 388407846 /nfs/dbraw/zinc/40/78/46/388407846.db2.gz XABHDGTZWMFKQT-GFCCVEGCSA-N 1 0 223.320 0.979 10 0 BCAERO C[C@@H]([NH3+])C[C@@H](C)Nc1ccnc(C(N)=O)c1 ZINC000165747310 388410402 /nfs/dbraw/zinc/41/04/02/388410402.db2.gz BJWMXTARWCTROB-HTQZYQBOSA-N 1 0 222.292 0.718 10 0 BCAERO CCN1CCO[C@@H](C[NH2+][C@@H]2CCOC2(C)C)C1 ZINC000328374071 388413932 /nfs/dbraw/zinc/41/39/32/388413932.db2.gz JSMZNDKFMGKRBR-NWDGAFQWSA-N 1 0 242.363 0.864 10 0 BCAERO O=C([O-])C1([NH2+]C2CCCC2)CC[NH2+]CC1 ZINC000040695424 388424564 /nfs/dbraw/zinc/42/45/64/388424564.db2.gz IQFHCARCWAWUEG-UHFFFAOYSA-N 1 0 212.293 0.725 10 0 BCAERO C[NH+](C)[C@H]1CCN(C(=O)Cc2cc[nH]n2)C1 ZINC000173977797 388433725 /nfs/dbraw/zinc/43/37/25/388433725.db2.gz GRQOUURYICBMPX-JTQLQIEISA-N 1 0 222.292 0.115 10 0 BCAERO C[C@@H]1C[C@H]1[NH2+][C@H]1CCCS(=O)(=O)C1 ZINC000246163721 388438997 /nfs/dbraw/zinc/43/89/97/388438997.db2.gz MRXAIMKTKXXLTI-HRDYMLBCSA-N 1 0 203.307 0.562 10 0 BCAERO C[N@@H+]1Cc2ccc(NCCC(N)=O)cc2C1 ZINC000517128880 388538446 /nfs/dbraw/zinc/53/84/46/388538446.db2.gz BDZLBTGMGKTDNC-UHFFFAOYSA-N 1 0 219.288 0.919 10 0 BCAERO CC(C)C(=O)NCCNC(=O)[C@@]1(C)CCC[NH2+]1 ZINC000079519509 388538418 /nfs/dbraw/zinc/53/84/18/388538418.db2.gz SCUGZQYBVZUXPM-GFCCVEGCSA-N 1 0 241.335 0.017 10 0 BCAERO C[C@@]1(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)CCC[NH2+]1 ZINC000079517449 388538522 /nfs/dbraw/zinc/53/85/22/388538522.db2.gz PSIFQVKECNDDPM-YPMHNXCESA-N 1 0 237.347 0.435 10 0 BCAERO Cc1cccc(NC(=O)[C@@H]2C[NH2+]CCOC2)n1 ZINC000649276304 388495971 /nfs/dbraw/zinc/49/59/71/388495971.db2.gz KBVZUJWFABDGNK-SNVBAGLBSA-N 1 0 235.287 0.565 10 0 BCAERO COC[C@@]1(C(=O)Nc2ccccn2)CCC[NH2+]1 ZINC000649276248 388496331 /nfs/dbraw/zinc/49/63/31/388496331.db2.gz CWZWLVAMYSLXLW-GFCCVEGCSA-N 1 0 235.287 0.789 10 0 BCAERO OC[C@@H]1C[N@H+](CC[C@@H]2CCOC2)CCO1 ZINC000400662963 256795458 /nfs/dbraw/zinc/79/54/58/256795458.db2.gz XAMOFNAGOFOGGB-MNOVXSKESA-N 1 0 215.293 0.106 10 0 BCAERO CO[C@@H]1C[C@@H](CO)[N@H+](Cc2ccc(C)nc2)C1 ZINC000344042401 388504702 /nfs/dbraw/zinc/50/47/02/388504702.db2.gz TWKXBSLLLRHSDY-QWHCGFSZSA-N 1 0 236.315 0.972 10 0 BCAERO COC[C@H](C)C(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000261548343 135186531 /nfs/dbraw/zinc/18/65/31/135186531.db2.gz NNCGDCLDYIWGAV-AEJSXWLSSA-N 1 0 214.309 0.465 10 0 BCAERO C[C@H]1C[N@@H+]([C@H]2CCNC2=O)CCS1 ZINC000245676244 388597329 /nfs/dbraw/zinc/59/73/29/388597329.db2.gz HUSXZDMRCPODSC-YUMQZZPRSA-N 1 0 200.307 0.312 10 0 BCAERO Cc1cccnc1CNC(=O)[C@H]1C[NH2+]CCOC1 ZINC000649312619 388599113 /nfs/dbraw/zinc/59/91/13/388599113.db2.gz AUKQUKUSPSDRNJ-NSHDSACASA-N 1 0 249.314 0.242 10 0 BCAERO CN1C(=O)OC2(C[NH2+]C2)[C@@H]1c1ccco1 ZINC000521399994 256863593 /nfs/dbraw/zinc/86/35/93/256863593.db2.gz MMWHCDNLZJPJTO-QMMMGPOBSA-N 1 0 208.217 0.745 10 0 BCAERO OCc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2O)cc1 ZINC000630073290 388615598 /nfs/dbraw/zinc/61/55/98/388615598.db2.gz CPTQNCOPHBJGGY-OLZOCXBDSA-N 1 0 237.299 0.418 10 0 BCAERO CO[C@H](CNC(=O)[C@H]1C[NH2+]C[C@H]1C)C(C)C ZINC000362978105 388563268 /nfs/dbraw/zinc/56/32/68/388563268.db2.gz XLFKAUCRDRRMCT-OUAUKWLOSA-N 1 0 228.336 0.629 10 0 BCAERO COC(=O)[C@H]1CCCN1C(=O)C1CC[NH2+]CC1 ZINC000037804191 388575627 /nfs/dbraw/zinc/57/56/27/388575627.db2.gz ORYOARCWZNHIOC-SNVBAGLBSA-N 1 0 240.303 0.150 10 0 BCAERO CC[C@@H]1CN(C[C@H](C)OC)CC[N@@H+]1C[C@@H](C)O ZINC000248406461 388679197 /nfs/dbraw/zinc/67/91/97/388679197.db2.gz BCOKGBRWDQQTDF-FRRDWIJNSA-N 1 0 244.379 0.798 10 0 BCAERO [NH3+][C@@H]1CC[C@@H]2CN(CC(=O)NCC3CC3)C[C@H]12 ZINC000261551851 388643542 /nfs/dbraw/zinc/64/35/42/388643542.db2.gz MKVINDAILPDHFN-GRYCIOLGSA-N 1 0 237.347 0.182 10 0 BCAERO [NH3+][C@@H]1CC[C@H](C(=O)NC[C@H]2CCCO2)C1 ZINC000246709102 388649239 /nfs/dbraw/zinc/64/92/39/388649239.db2.gz ZULPQZCZGJYHLZ-IVZWLZJFSA-N 1 0 212.293 0.409 10 0 BCAERO COC(=O)[C@H]([NH3+])C1CCC2(CC1)OCCO2 ZINC000091691740 388649693 /nfs/dbraw/zinc/64/96/93/388649693.db2.gz CIRIPLWORARIIA-SECBINFHSA-N 1 0 229.276 0.420 10 0 BCAERO CCC[C@H]([NH3+])C(=O)NC[C@H](C)C[C@H](C)O ZINC000246733644 388650394 /nfs/dbraw/zinc/65/03/94/388650394.db2.gz OTKDVRYOTJLKJD-UTLUCORTSA-N 1 0 216.325 0.637 10 0 BCAERO CO[C@H](C)CNC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000223763017 388657892 /nfs/dbraw/zinc/65/78/92/388657892.db2.gz DVFJUVKZQNUISJ-MWLCHTKSSA-N 1 0 214.309 0.670 10 0 BCAERO Cc1nnc(CN2CC[N@@H+]3CCC[C@H]3C2)o1 ZINC000247154713 388659930 /nfs/dbraw/zinc/65/99/30/388659930.db2.gz LVOXRRQVVOXIEW-JTQLQIEISA-N 1 0 222.292 0.658 10 0 BCAERO O[C@@H](c1cscn1)[C@H]1C[NH2+]CCO1 ZINC000575453262 388747881 /nfs/dbraw/zinc/74/78/81/388747881.db2.gz DPMPNXBDCYCWQQ-SFYZADRCSA-N 1 0 200.263 0.165 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)N[C@H](C[NH3+])C2CC2)O1 ZINC000251683789 388751766 /nfs/dbraw/zinc/75/17/66/388751766.db2.gz GYTWEPWQAWCAQG-SZEHBUNVSA-N 1 0 212.293 0.407 10 0 BCAERO CC[C@H]1C[N@H+](C[C@H](C)O)CCN1CCOC ZINC000248643664 388688052 /nfs/dbraw/zinc/68/80/52/388688052.db2.gz DUMOOPOHGTUEQU-RYUDHWBXSA-N 1 0 230.352 0.410 10 0 BCAERO C[C@@H]1C(=O)NCCCN1C[C@@H](O)C(F)(F)F ZINC000249101878 388709327 /nfs/dbraw/zinc/70/93/27/388709327.db2.gz WJSKPMOKXXYDMZ-RNFRBKRXSA-N 1 0 240.225 0.120 10 0 BCAERO Cc1cccc(N2CCN(C)C[C@@H]2C[NH3+])n1 ZINC000087613844 388709760 /nfs/dbraw/zinc/70/97/60/388709760.db2.gz PWHYCNXGLBZINM-NSHDSACASA-N 1 0 220.320 0.469 10 0 BCAERO COC[C@@H](C)CN1CCO[C@@H](C[NH+](C)C)C1 ZINC000249188597 388711677 /nfs/dbraw/zinc/71/16/77/388711677.db2.gz MKTAZEZSUXLVAG-RYUDHWBXSA-N 1 0 230.352 0.531 10 0 BCAERO COC(=O)CCN1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000226344894 388716049 /nfs/dbraw/zinc/71/60/49/388716049.db2.gz DAIZKMVHNKJLOH-ZJUUUORDSA-N 1 0 214.309 0.609 10 0 BCAERO CSC[C@H](C)NC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000226365721 388716300 /nfs/dbraw/zinc/71/63/00/388716300.db2.gz NWNQXDSCPRNGMM-DJLDLDEBSA-N 1 0 216.350 0.982 10 0 BCAERO C[C@@H]1C[C@@H](NC(=O)[C@@]2(C)CCC[NH2+]2)CCO1 ZINC000226703861 388727700 /nfs/dbraw/zinc/72/77/00/388727700.db2.gz NRERUYKHQVKYHS-JFGNBEQYSA-N 1 0 226.320 0.812 10 0 BCAERO C1NOC[C@@H]1[NH2+][C@@H]1CCCSCC1 ZINC000575449303 388728312 /nfs/dbraw/zinc/72/83/12/388728312.db2.gz GSRYCDKLCMTPBR-RKDXNWHRSA-N 1 0 202.323 0.765 10 0 BCAERO CC[C@H](O)C[N@@H+]1CCC[C@]1(C)C(=O)OC ZINC000249596814 388730292 /nfs/dbraw/zinc/73/02/92/388730292.db2.gz XBNGLYLEVHFEKX-GXSJLCMTSA-N 1 0 215.293 0.785 10 0 BCAERO COC[C@H](C)CNC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000227812970 388759483 /nfs/dbraw/zinc/75/94/83/388759483.db2.gz QBLLIGGHSHTHKN-KXUCPTDWSA-N 1 0 214.309 0.513 10 0 BCAERO CS[C@H](C)CNC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000228918213 388775778 /nfs/dbraw/zinc/77/57/78/388775778.db2.gz JGBLJZYQBLOJRO-IWSPIJDZSA-N 1 0 216.350 0.982 10 0 BCAERO O[C@H](C1C[NH2+]C1)C(F)(F)Br ZINC000575455549 388776459 /nfs/dbraw/zinc/77/64/59/388776459.db2.gz PTNJIXDDSPUHTO-SCSAIBSYSA-N 1 0 216.025 0.554 10 0 BCAERO COC[C@H]([NH3+])C(=O)NCC1CCSCC1 ZINC000229272345 388783998 /nfs/dbraw/zinc/78/39/98/388783998.db2.gz PKIHROMWWIGLEO-VIFPVBQESA-N 1 0 232.349 0.220 10 0 BCAERO C[NH2+][C@H](C)C(=O)NCC1CCSCC1 ZINC000229271233 388784477 /nfs/dbraw/zinc/78/44/77/388784477.db2.gz TYDJTXWFKKHCGJ-MRVPVSSYSA-N 1 0 216.350 0.854 10 0 BCAERO CCC1(NC(=O)[C@@H]([NH3+])COC)CCC1 ZINC000229496179 388791511 /nfs/dbraw/zinc/79/15/11/388791511.db2.gz OXKUMAZMSJSLRM-QMMMGPOBSA-N 1 0 200.282 0.409 10 0 BCAERO Cn1ncc(NC2=[NH+]CCN2)c1Br ZINC000575469314 388843552 /nfs/dbraw/zinc/84/35/52/388843552.db2.gz PSABUPUNUKFMDU-UHFFFAOYSA-N 1 0 244.096 0.554 10 0 BCAERO O=S1(=O)CC[C@@H]([NH2+][C@H]2C=CCC2)C1 ZINC000575462108 388823146 /nfs/dbraw/zinc/82/31/46/388823146.db2.gz KNRRKKWGEMBPEO-DTWKUNHWSA-N 1 0 201.291 0.482 10 0 BCAERO [NH3+][C@@H]1CCO[C@@H]1[C@H](O)c1ccns1 ZINC000575463710 388830920 /nfs/dbraw/zinc/83/09/20/388830920.db2.gz QUTNVQCBGYRGAC-NJUXHZRNSA-N 1 0 200.263 0.293 10 0 BCAERO [NH3+][C@@H]1CCO[C@@H]1[C@H](O)c1ccsn1 ZINC000575466395 388837356 /nfs/dbraw/zinc/83/73/56/388837356.db2.gz MNXCAUPNMSDAKT-NJUXHZRNSA-N 1 0 200.263 0.293 10 0 BCAERO CN1C[C@@H]([NH2+]C[C@@H](O)C(C)(C)C)CCC1=O ZINC000304253970 388864029 /nfs/dbraw/zinc/86/40/29/388864029.db2.gz ROGWJZCEMMVABQ-VHSXEESVSA-N 1 0 228.336 0.604 10 0 BCAERO [NH3+][C@@H]1COC[C@H]1[C@H](O)c1ccns1 ZINC000575471083 388847519 /nfs/dbraw/zinc/84/75/19/388847519.db2.gz VTEJJGKXPOOOGP-JKMUOGBPSA-N 1 0 200.263 0.150 10 0 BCAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000565032739 388909457 /nfs/dbraw/zinc/90/94/57/388909457.db2.gz HCAFVGYRTZNIIU-GRYCIOLGSA-N 1 0 241.379 0.816 10 0 BCAERO OC[C@@H](CC(F)F)[NH2+][C@@H]1CCCC[C@H]1O ZINC000565239554 388931297 /nfs/dbraw/zinc/93/12/97/388931297.db2.gz ZRFGNYNCHGEBDC-IWSPIJDZSA-N 1 0 223.263 0.896 10 0 BCAERO CC(=[NH2+])NC[C@@H]1CCCCS1(=O)=O ZINC000575492845 388945377 /nfs/dbraw/zinc/94/53/77/388945377.db2.gz MEQUJMXKHZNUFA-QMMMGPOBSA-N 1 0 204.295 0.540 10 0 BCAERO [NH3+]C[C@H]1CCCN1C(=O)[C@@H]1CC12CCOCC2 ZINC000565538367 388952160 /nfs/dbraw/zinc/95/21/60/388952160.db2.gz UESWYOSPWGWJGC-MNOVXSKESA-N 1 0 238.331 0.753 10 0 BCAERO C(C1CCOCC1)[N@@H+]1CC[C@H]2OCCN[C@@H]2C1 ZINC000404203224 388953616 /nfs/dbraw/zinc/95/36/16/388953616.db2.gz QVVFSYDKRWZRFU-CHWSQXEVSA-N 1 0 240.347 0.476 10 0 BCAERO C(C1CCOCC1)[N@@H+]1CC[C@@H]2OCCN[C@H]2C1 ZINC000404203232 388954041 /nfs/dbraw/zinc/95/40/41/388954041.db2.gz QVVFSYDKRWZRFU-STQMWFEESA-N 1 0 240.347 0.476 10 0 BCAERO Cn1nc(Br)cc1[C@@H](O)C(C)(C)[NH3+] ZINC000575500990 388990402 /nfs/dbraw/zinc/99/04/02/388990402.db2.gz WMWBJFZWMBINGS-SSDOTTSWSA-N 1 0 248.124 0.953 10 0 BCAERO C[C@@H]([NH3+])[C@H](O)c1cc(Br)nn1C ZINC000575500970 388990517 /nfs/dbraw/zinc/99/05/17/388990517.db2.gz WKAKMWPVHUNVGW-FBCQKBJTSA-N 1 0 234.097 0.563 10 0 BCAERO NC(=[NH2+])c1ccnc(N2CCOCC2)c1 ZINC000019431669 132324840 /nfs/dbraw/zinc/32/48/40/132324840.db2.gz XDLYCKSEWWVLMY-UHFFFAOYSA-N 1 0 206.249 0.202 10 0 BCAERO CC[C@H]1COCCN1c1ccc(C[NH3+])nn1 ZINC000051397056 132360457 /nfs/dbraw/zinc/36/04/57/132360457.db2.gz XIVUBQJARULORQ-JTQLQIEISA-N 1 0 222.292 0.551 10 0 BCAERO COC(=O)C[C@@H]1COC2(CCC([NH3+])CC2)O1 ZINC000504446360 533648019 /nfs/dbraw/zinc/64/80/19/533648019.db2.gz KUWKRLLQNJEPMM-INWMGODYSA-N 1 0 229.276 0.563 10 0 BCAERO Cc1cc2c(N3CC[NH2+][C@H](C)C3)nccn2n1 ZINC000122720876 132227854 /nfs/dbraw/zinc/22/78/54/132227854.db2.gz XHRAXZTVUNPCCG-SNVBAGLBSA-N 1 0 231.303 0.836 10 0 BCAERO Clc1cnc2c(N3CC[NH2+]CC3)nccn12 ZINC000013728050 132293032 /nfs/dbraw/zinc/29/30/32/132293032.db2.gz CFMLRIQUSHTHJE-UHFFFAOYSA-N 1 0 237.694 0.792 10 0 BCAERO COc1cc(OC)nc(N2CC[NH2+][C@@H](C)C2)n1 ZINC000083366032 132311409 /nfs/dbraw/zinc/31/14/09/132311409.db2.gz NWIYTYXSXFJRST-QMMMGPOBSA-N 1 0 238.291 0.292 10 0 BCAERO Cc1nc(N2CC[NH2+]CC2)nc(C)c1C ZINC000000010721 132312350 /nfs/dbraw/zinc/31/23/50/132312350.db2.gz LOQWTXSIQRICMZ-UHFFFAOYSA-N 1 0 206.293 0.811 10 0 BCAERO [NH3+]CC(=O)Nc1ccccc1N1CCOCC1 ZINC000011805420 132320767 /nfs/dbraw/zinc/32/07/67/132320767.db2.gz NNQFEUKSJKGOPC-UHFFFAOYSA-N 1 0 235.287 0.420 10 0 BCAERO C[C@H]([NH3+])C(=O)Nc1ccccc1N1CCOCC1 ZINC000011805441 132320793 /nfs/dbraw/zinc/32/07/93/132320793.db2.gz IRNHFPJUSJCUPC-JTQLQIEISA-N 1 0 249.314 0.809 10 0 BCAERO CC[C@@H](C[NH3+])N1CCN(c2ncccn2)CC1 ZINC000019264953 132324346 /nfs/dbraw/zinc/32/43/46/132324346.db2.gz OBLDWCCINSUXHA-NSHDSACASA-N 1 0 235.335 0.336 10 0 BCAERO C[C@@H]1CN(c2cc(C(N)=[NH2+])ccn2)C[C@H](C)O1 ZINC000019515130 132326066 /nfs/dbraw/zinc/32/60/66/132326066.db2.gz CAOPDAALQDAPKW-DTORHVGOSA-N 1 0 234.303 0.979 10 0 BCAERO CC[NH+]1CCN(c2ncnc3n[nH]c(N)c32)CC1 ZINC000019945909 132328811 /nfs/dbraw/zinc/32/88/11/132328811.db2.gz XXBLLAJKNLPQSK-UHFFFAOYSA-N 1 0 247.306 0.077 10 0 BCAERO NC(=O)C1CCN(c2ccccc2C[NH3+])CC1 ZINC000020075687 132329390 /nfs/dbraw/zinc/32/93/90/132329390.db2.gz SDWAQLARKUIUOB-UHFFFAOYSA-N 1 0 233.315 0.847 10 0 BCAERO CNC(=O)c1cccc(N2CC[NH2+]CC2)c1 ZINC000020221359 132330494 /nfs/dbraw/zinc/33/04/94/132330494.db2.gz XNJOVCBLAVNTFC-UHFFFAOYSA-N 1 0 219.288 0.456 10 0 BCAERO Cc1nc(N2CCOCC2)nc(C)c1C[NH3+] ZINC000020274804 132331250 /nfs/dbraw/zinc/33/12/50/132331250.db2.gz IVLXUWITYGPVFM-UHFFFAOYSA-N 1 0 222.292 0.389 10 0 BCAERO NC(=O)[C@@H]1CCCN(c2cc(C[NH3+])ccn2)C1 ZINC000022222884 132332570 /nfs/dbraw/zinc/33/25/70/132332570.db2.gz OAKPWMJSUUUYGU-SNVBAGLBSA-N 1 0 234.303 0.242 10 0 BCAERO NC(=O)C1CCN(c2ccc(C[NH3+])cn2)CC1 ZINC000022214473 132332760 /nfs/dbraw/zinc/33/27/60/132332760.db2.gz NAYLZGZFEATYTF-UHFFFAOYSA-N 1 0 234.303 0.242 10 0 BCAERO O=C1Nc2cc(F)c(F)cc2N2CC[NH2+]C[C@@H]12 ZINC000026150808 132333503 /nfs/dbraw/zinc/33/35/03/132333503.db2.gz OUPPHZQRSSYATF-JTQLQIEISA-N 1 0 239.225 0.695 10 0 BCAERO C[NH+]1CCN(c2nc(N)nc3ccccc32)CC1 ZINC000028760791 132334202 /nfs/dbraw/zinc/33/42/02/132334202.db2.gz GORRKRHEHKVTEB-UHFFFAOYSA-N 1 0 243.314 0.964 10 0 BCAERO Cc1ccc2c(c1)N1CC[NH2+]C[C@H]1NC2=O ZINC000035904801 132340096 /nfs/dbraw/zinc/34/00/96/132340096.db2.gz NJFUCAPBXYJVNU-NSHDSACASA-N 1 0 217.272 0.474 10 0 BCAERO [NH3+]Cc1cccnc1N1CCC[C@H](CO)C1 ZINC000036205659 132340523 /nfs/dbraw/zinc/34/05/23/132340523.db2.gz OLVZXLAYDHJVHM-JTQLQIEISA-N 1 0 221.304 0.749 10 0 BCAERO Cc1c[nH+]c(N2CCC(C(N)=O)CC2)c(N)c1 ZINC000036226408 132340909 /nfs/dbraw/zinc/34/09/09/132340909.db2.gz ZBEUBRHAOKPTHP-UHFFFAOYSA-N 1 0 234.303 0.674 10 0 BCAERO Cc1cc[nH+]c(N2CCC(C(N)=O)CC2)c1N ZINC000036244887 132341219 /nfs/dbraw/zinc/34/12/19/132341219.db2.gz VORUJSRAOVRASI-UHFFFAOYSA-N 1 0 234.303 0.674 10 0 BCAERO CC[C@@H]1CN(c2ccc(C(N)=[NH2+])cn2)CCO1 ZINC000036769928 132342511 /nfs/dbraw/zinc/34/25/11/132342511.db2.gz XXBPPVXIYHEKQP-SNVBAGLBSA-N 1 0 234.303 0.981 10 0 BCAERO NC(=O)c1ccc(N2CC[NH2+]CC2)c(F)c1 ZINC000036886338 132342849 /nfs/dbraw/zinc/34/28/49/132342849.db2.gz LFMFXADXLHEOBW-UHFFFAOYSA-N 1 0 223.251 0.334 10 0 BCAERO C[C@H]([NH3+])CCN1CCN(c2ncccn2)CC1 ZINC000037401922 132344173 /nfs/dbraw/zinc/34/41/73/132344173.db2.gz LSIGVYYZYHPKQS-NSHDSACASA-N 1 0 235.335 0.336 10 0 BCAERO NCC[NH2+]C1CCN(c2ccccn2)CC1 ZINC000037712849 132344995 /nfs/dbraw/zinc/34/49/95/132344995.db2.gz IWPDUMACKRZZQT-UHFFFAOYSA-N 1 0 220.320 0.599 10 0 BCAERO NC(=O)c1cccnc1N1CCC[C@@H]([NH3+])C1 ZINC000041030198 132349009 /nfs/dbraw/zinc/34/90/09/132349009.db2.gz FRPMCGWGQUUWGV-MRVPVSSYSA-N 1 0 220.276 0.108 10 0 BCAERO CNC(=O)[C@@H]1CCCCN1c1cc(C[NH3+])ccn1 ZINC000042407999 132351488 /nfs/dbraw/zinc/35/14/88/132351488.db2.gz FLQJFBGEVMQDCN-NSHDSACASA-N 1 0 248.330 0.645 10 0 BCAERO [NH3+]Cc1cccnc1N1CCCC[C@@H]1CO ZINC000042432057 132352046 /nfs/dbraw/zinc/35/20/46/132352046.db2.gz DKMHCOHGZXSZEQ-LLVKDONJSA-N 1 0 221.304 0.892 10 0 BCAERO Cc1ccc(C[NH3+])c(N2CCC(O)CC2)n1 ZINC000043395480 132353020 /nfs/dbraw/zinc/35/30/20/132353020.db2.gz MABBYWWFLBZTRN-UHFFFAOYSA-N 1 0 221.304 0.810 10 0 BCAERO Cc1ccc(C[NH3+])c(N2CCC[C@H](O)C2)n1 ZINC000043395692 132353223 /nfs/dbraw/zinc/35/32/23/132353223.db2.gz XAJVEJFUWYEKIS-NSHDSACASA-N 1 0 221.304 0.810 10 0 BCAERO NC(=O)[C@H]1CCCN(c2cc(N)cc[nH+]2)C1 ZINC000043567879 132353426 /nfs/dbraw/zinc/35/34/26/132353426.db2.gz ZAOHIBCCGDSBDT-QMMMGPOBSA-N 1 0 220.276 0.366 10 0 BCAERO Nc1cc[nH+]c(N2CCC[C@@H](CO)C2)c1 ZINC000043568987 132353736 /nfs/dbraw/zinc/35/37/36/132353736.db2.gz FIBVXZGVRAZOFG-SECBINFHSA-N 1 0 207.277 0.873 10 0 BCAERO CC[NH2+]CCN1CCN(c2ccccn2)CC1 ZINC000044380496 132354019 /nfs/dbraw/zinc/35/40/19/132354019.db2.gz TYROIZZKYUORJS-UHFFFAOYSA-N 1 0 234.347 0.813 10 0 BCAERO C[C@@H]1CN(c2ccc(C[NH3+])nn2)CC(C)(C)O1 ZINC000051397725 132360288 /nfs/dbraw/zinc/36/02/88/132360288.db2.gz GHOWYLJWGVKLMH-SECBINFHSA-N 1 0 236.319 0.939 10 0 BCAERO C[C@@H]1CO[C@@H](C)CN1c1ccc(C[NH3+])nn1 ZINC000051396876 132360310 /nfs/dbraw/zinc/36/03/10/132360310.db2.gz LIRGSJMMHJRZOK-BDAKNGLRSA-N 1 0 222.292 0.549 10 0 BCAERO CC[C@H]1CN(c2ccc(C[NH3+])nn2)CCO1 ZINC000051396894 132360388 /nfs/dbraw/zinc/36/03/88/132360388.db2.gz LLVGSRZTKIOLOL-JTQLQIEISA-N 1 0 222.292 0.551 10 0 BCAERO O=C1Nc2cc(F)ccc2N2CC[NH2+]C[C@@H]12 ZINC000053151311 132362926 /nfs/dbraw/zinc/36/29/26/132362926.db2.gz JVNKDVUCNSCZDX-JTQLQIEISA-N 1 0 221.235 0.556 10 0 BCAERO [NH3+]Cc1nccnc1N1CCC[C@H](CO)C1 ZINC000054377412 132364732 /nfs/dbraw/zinc/36/47/32/132364732.db2.gz HQPPEBJGMOJZBL-VIFPVBQESA-N 1 0 222.292 0.144 10 0 BCAERO C[C@@H]([NH3+])Cc1cnc(N2CCOCC2)nc1 ZINC000054857768 132365126 /nfs/dbraw/zinc/36/51/26/132365126.db2.gz KOQXSEBQWLINJM-SECBINFHSA-N 1 0 222.292 0.203 10 0 BCAERO Cc1ccc(N2CCN([C@@H](C)C[NH3+])CC2)nc1 ZINC000058022125 132367949 /nfs/dbraw/zinc/36/79/49/132367949.db2.gz CQAVIQCEDPJQSX-LBPRGKRZSA-N 1 0 234.347 0.859 10 0 BCAERO C[C@@H]([NH3+])[C@H]1CCCCN1c1nccn(C)c1=O ZINC000063196757 132389329 /nfs/dbraw/zinc/38/93/29/132389329.db2.gz DWGBCABMORUIAT-NXEZZACHSA-N 1 0 236.319 0.486 10 0 BCAERO C[C@@H](CN1c2ccccc2CC[C@@H]1C[NH3+])C(N)=O ZINC000063075370 132389454 /nfs/dbraw/zinc/38/94/54/132389454.db2.gz ZFHTXOVLRQSCQP-CMPLNLGQSA-N 1 0 247.342 0.888 10 0 BCAERO C[C@H]([NH3+])[C@H]1CCCCN1c1nccn(C)c1=O ZINC000063196756 132389663 /nfs/dbraw/zinc/38/96/63/132389663.db2.gz DWGBCABMORUIAT-VHSXEESVSA-N 1 0 236.319 0.486 10 0 BCAERO C[C@@H]1CCN(c2ccc(C(N)=O)cn2)[C@@H](C[NH3+])C1 ZINC000235351699 132392426 /nfs/dbraw/zinc/39/24/26/132392426.db2.gz PFJAGNMCVQPKIH-MWLCHTKSSA-N 1 0 248.330 0.744 10 0 BCAERO CC(=O)N1CCN(c2cc[nH+]c(N)c2)CC1 ZINC000077330777 132410287 /nfs/dbraw/zinc/41/02/87/132410287.db2.gz UZQXKKWVQYRNSZ-UHFFFAOYSA-N 1 0 220.276 0.332 10 0 BCAERO C[C@H]([NH3+])[C@@H]1CCCN(c2cncc3nnnn32)C1 ZINC000104414965 132436620 /nfs/dbraw/zinc/43/66/20/132436620.db2.gz OOYCQTOZFZXUFL-DTWKUNHWSA-N 1 0 247.306 0.083 10 0 BCAERO Cc1c(CNC(=O)[C@@H]2C[NH2+]C[C@H]2C)cnn1C ZINC000226414573 133475675 /nfs/dbraw/zinc/47/56/75/133475675.db2.gz NWVMHSHKQHASHK-LDYMZIIASA-N 1 0 236.319 0.200 10 0 BCAERO CC(C)(C)NC(=[NH2+])NCC(=O)N1CCCC1 ZINC000157093968 133480538 /nfs/dbraw/zinc/48/05/38/133480538.db2.gz ZWSHOEFECRRUMT-UHFFFAOYSA-N 1 0 226.324 0.521 10 0 BCAERO CC(C)[NH2+]CCN1CCC(C)(O)CC1 ZINC000088023002 133545109 /nfs/dbraw/zinc/54/51/09/133545109.db2.gz NVPDGOWQVFCPNT-UHFFFAOYSA-N 1 0 200.326 0.831 10 0 BCAERO C[C@H]([NH3+])[C@H](C)C(=O)N[C@H]1CCO[C@@H]1C ZINC000252839603 133651990 /nfs/dbraw/zinc/65/19/90/133651990.db2.gz BBEPDWOXGZMMRG-MAUMQABQSA-N 1 0 200.282 0.263 10 0 BCAERO CC(C)[C@H]([NH3+])CNc1cnn(C)c(=O)c1Cl ZINC000167916690 134154786 /nfs/dbraw/zinc/15/47/86/134154786.db2.gz FZNYPLHUHSHDPF-SSDOTTSWSA-N 1 0 244.726 0.829 10 0 BCAERO COCCCN(C)C(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000085012946 134220878 /nfs/dbraw/zinc/22/08/78/134220878.db2.gz PFKUMEFGRZXXPJ-ZJUUUORDSA-N 1 0 214.309 0.609 10 0 BCAERO [NH3+][C@H]1CC[C@H](C(=O)NCCc2cscn2)C1 ZINC000085013314 134221529 /nfs/dbraw/zinc/22/15/29/134221529.db2.gz GDKXHVGEOPKUQF-IUCAKERBSA-N 1 0 239.344 0.929 10 0 BCAERO CO[C@H](C)C(=O)N1C[C@@H](C)[C@H]([NH+](C)C)C1 ZINC000168739508 134247966 /nfs/dbraw/zinc/24/79/66/134247966.db2.gz BOBCPBKTMWQPQN-OPRDCNLKSA-N 1 0 214.309 0.430 10 0 BCAERO COC[C@H](C)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000170894066 134254586 /nfs/dbraw/zinc/25/45/86/134254586.db2.gz JARJSSJUURPWMY-WDEREUQCSA-N 1 0 226.320 0.576 10 0 BCAERO CCCNC(=O)CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171643342 134257477 /nfs/dbraw/zinc/25/74/77/134257477.db2.gz AFJXUGVEWHHPKC-LLVKDONJSA-N 1 0 225.336 0.293 10 0 BCAERO CCCNC(=O)[C@H](C)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171641666 134257689 /nfs/dbraw/zinc/25/76/89/134257689.db2.gz ZZHLYOSPRKNORH-NWDGAFQWSA-N 1 0 239.363 0.681 10 0 BCAERO COC[C@H](C)C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000171534958 134258745 /nfs/dbraw/zinc/25/87/45/134258745.db2.gz UXELYTPNHUVDRT-NWDGAFQWSA-N 1 0 240.347 0.966 10 0 BCAERO O=C(C1=COCCC1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171605789 134259604 /nfs/dbraw/zinc/25/96/04/134259604.db2.gz REYPPPLUZDBIDF-LBPRGKRZSA-N 1 0 236.315 0.987 10 0 BCAERO Cc1ccccc1CC(=O)N(C)C1C[NH2+]C1 ZINC000085257666 134269519 /nfs/dbraw/zinc/26/95/19/134269519.db2.gz GMKFXQJMPYBCFO-UHFFFAOYSA-N 1 0 218.300 0.968 10 0 BCAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ncnn1C ZINC000177171748 134296428 /nfs/dbraw/zinc/29/64/28/134296428.db2.gz FNWQJYIUXYTQIJ-GHMZBOCLSA-N 1 0 235.335 0.484 10 0 BCAERO CCOCC[N@@H+]1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000177244432 134296720 /nfs/dbraw/zinc/29/67/20/134296720.db2.gz AQDUPVDEUIZEGU-QWHCGFSZSA-N 1 0 242.363 0.675 10 0 BCAERO Cc1nc(C[C@@H]2CCC[N@H+](CCO)C2)no1 ZINC000177698810 134301296 /nfs/dbraw/zinc/30/12/96/134301296.db2.gz FUOYRJKTJMOBNQ-JTQLQIEISA-N 1 0 225.292 0.625 10 0 BCAERO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1CCO ZINC000177685393 134301341 /nfs/dbraw/zinc/30/13/41/134301341.db2.gz WILSIJNSRUKRLP-DCAQKATOSA-N 1 0 227.304 0.785 10 0 BCAERO COC(=O)CN(C)C[C@H]1CCC[NH2+]C1 ZINC000220363608 134305953 /nfs/dbraw/zinc/30/59/53/134305953.db2.gz SVWUVIHATNYUEQ-VIFPVBQESA-N 1 0 200.282 0.091 10 0 BCAERO CCOC(=O)CN(C)C[C@H]1CCC[NH2+]C1 ZINC000220361053 134306256 /nfs/dbraw/zinc/30/62/56/134306256.db2.gz AXUBVYPFKVMMQD-JTQLQIEISA-N 1 0 214.309 0.481 10 0 BCAERO [NH3+][C@H]1CCC[C@H]1C(=O)NCc1cccc(CO)c1 ZINC000178525224 134307876 /nfs/dbraw/zinc/30/78/76/134307876.db2.gz ZWXWRCISJWZJPQ-OLZOCXBDSA-N 1 0 248.326 0.923 10 0 BCAERO CCO[C@@H]1C[C@H]1C(=O)N1CC[C@H](C[NH3+])C1 ZINC000178588636 134311696 /nfs/dbraw/zinc/31/16/96/134311696.db2.gz BDCUGPYNPDLMPT-OPRDCNLKSA-N 1 0 212.293 0.219 10 0 BCAERO C[C@H]([NH3+])CCNC(=O)C(F)(F)C(F)F ZINC000178646333 134312517 /nfs/dbraw/zinc/31/25/17/134312517.db2.gz FJDNRYSLLGJBNZ-BYPYZUCNSA-N 1 0 216.178 0.740 10 0 BCAERO CC[C@H](C(=O)NCC[C@@H](C)[NH3+])N1CCCC1=O ZINC000178645539 134312538 /nfs/dbraw/zinc/31/25/38/134312538.db2.gz SJCHZPHFZAKOLE-NXEZZACHSA-N 1 0 241.335 0.241 10 0 BCAERO C[C@@H]([NH3+])CCNC(=O)CC[C@@H]1CCOC1 ZINC000178668835 134312586 /nfs/dbraw/zinc/31/25/86/134312586.db2.gz ZUQWBEPAEMAGNT-NXEZZACHSA-N 1 0 214.309 0.657 10 0 BCAERO C[C@@H]([NH3+])CCNC(=O)[C@@H]1CSCCS1 ZINC000178693742 134312943 /nfs/dbraw/zinc/31/29/43/134312943.db2.gz ZVHZQZNUIRVBCT-SFYZADRCSA-N 1 0 234.390 0.689 10 0 BCAERO COC1CC([NH2+]C[C@@H]2CN(C)CCO2)C1 ZINC000221110889 134317379 /nfs/dbraw/zinc/31/73/79/134317379.db2.gz UTHOYQZKDXRPBM-VQXHTEKXSA-N 1 0 214.309 0.084 10 0 BCAERO OC[C@H]1C[C@@H](O)C[N@@H+]1CCC1CCCC1 ZINC000179180796 134318145 /nfs/dbraw/zinc/31/81/45/134318145.db2.gz LDMMOTHPJQPJIS-VXGBXAGGSA-N 1 0 213.321 0.994 10 0 BCAERO COCCC[C@H](C)[NH2+][C@@H]1CCc2ncnn2C1 ZINC000180598168 134329965 /nfs/dbraw/zinc/32/99/65/134329965.db2.gz JMGBSPHVJKNGAL-WDEREUQCSA-N 1 0 238.335 0.998 10 0 BCAERO CCC[C@H](C(=O)N[C@@H](CC)CO)[NH+](C)C ZINC000181322980 134335780 /nfs/dbraw/zinc/33/57/80/134335780.db2.gz UFLTXDGCEACHQP-VHSXEESVSA-N 1 0 216.325 0.604 10 0 BCAERO COC(C)(C)C(=O)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000224051703 134344308 /nfs/dbraw/zinc/34/43/08/134344308.db2.gz KOVPESVALXRMLN-SNVBAGLBSA-N 1 0 228.336 0.822 10 0 BCAERO CNC(=O)[C@@H]1CCC[N@H+](CC(C)(C)O)C1 ZINC000225773953 134357471 /nfs/dbraw/zinc/35/74/71/134357471.db2.gz RBUPRIAWQOURKR-SECBINFHSA-N 1 0 214.309 0.215 10 0 BCAERO C[C@@H]1OCC[C@@H]1[NH2+]CCN1CCO[C@H](C)C1 ZINC000348192492 134359775 /nfs/dbraw/zinc/35/97/75/134359775.db2.gz ZYVNGHYTODBQNH-WOPDTQHZSA-N 1 0 228.336 0.474 10 0 BCAERO C[C@H]1OCC[C@]1(O)C[NH2+]C1CCC(O)CC1 ZINC000227126197 134376341 /nfs/dbraw/zinc/37/63/41/134376341.db2.gz QCBJDYYRLNDMRJ-YYJSSNLHSA-N 1 0 229.320 0.419 10 0 BCAERO COC(=O)CCCN1C[C@@H](C)[C@H]([NH+](C)C)C1 ZINC000227228696 134376503 /nfs/dbraw/zinc/37/65/03/134376503.db2.gz POJCMFGFPOVGQS-GHMZBOCLSA-N 1 0 228.336 0.822 10 0 BCAERO OCCOCCN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000227535024 134382745 /nfs/dbraw/zinc/38/27/45/134382745.db2.gz IXOMPOWBZXNWGP-GFCCVEGCSA-N 1 0 228.336 0.165 10 0 BCAERO O=c1cc(C[N@H+]2CC[C@H](CCO)C2)occ1O ZINC000227566304 134383375 /nfs/dbraw/zinc/38/33/75/134383375.db2.gz QRURYOGCZDSHTM-SECBINFHSA-N 1 0 239.271 0.550 10 0 BCAERO O=C(C[N@H+]1CC[C@@H](CCO)C1)NC1CCCC1 ZINC000227569574 134383562 /nfs/dbraw/zinc/38/35/62/134383562.db2.gz FAZVRXWZDBEUQI-NSHDSACASA-N 1 0 240.347 0.750 10 0 BCAERO CCCCOC[C@H](O)C[NH2+][C@@H](C)[C@@H](C)CO ZINC000227896682 134397593 /nfs/dbraw/zinc/39/75/93/134397593.db2.gz XTGPEFBWJWYLJY-SDDRHHMPSA-N 1 0 233.352 0.771 10 0 BCAERO CCCCOC[C@H](O)C[NH2+][C@H](C)[C@@H](C)CO ZINC000227896692 134398114 /nfs/dbraw/zinc/39/81/14/134398114.db2.gz XTGPEFBWJWYLJY-QJPTWQEYSA-N 1 0 233.352 0.771 10 0 BCAERO CCCCOC[C@H](O)C[N@@H+]1CCC[C@@H](O)C1 ZINC000227906015 134398271 /nfs/dbraw/zinc/39/82/71/134398271.db2.gz PWBIQEUMJWDWTO-VXGBXAGGSA-N 1 0 231.336 0.621 10 0 BCAERO CCCCOC[C@@H](O)C[N@H+](C)CCOC ZINC000227905970 134398511 /nfs/dbraw/zinc/39/85/11/134398511.db2.gz HCFNKAFOHPCXNF-NSHDSACASA-N 1 0 219.325 0.742 10 0 BCAERO CCCCOC[C@@H](O)C[N@@H+]1CCC[C@@H](CO)C1 ZINC000227905678 134398821 /nfs/dbraw/zinc/39/88/21/134398821.db2.gz ZLSPMUQZTVVHJE-OLZOCXBDSA-N 1 0 245.363 0.868 10 0 BCAERO CCCCOC[C@@H](O)C[N@H+](C)[C@@H]1CCOC1 ZINC000227907775 134398969 /nfs/dbraw/zinc/39/89/69/134398969.db2.gz OJCDXZZATCQXOL-NEPJUHHUSA-N 1 0 231.336 0.885 10 0 BCAERO [NH3+][C@H](CNC(=O)Cn1cccn1)c1ccccc1 ZINC000062838237 134442700 /nfs/dbraw/zinc/44/27/00/134442700.db2.gz LCUAXVYNHSJXMV-GFCCVEGCSA-N 1 0 244.298 0.699 10 0 BCAERO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)Cc1ccncc1 ZINC000229584435 134459557 /nfs/dbraw/zinc/45/95/57/134459557.db2.gz WMQFRNNLJQQBHN-PWSUYJOCSA-N 1 0 233.315 0.881 10 0 BCAERO Cc1ccc(CC(=O)NC2C[NH2+]C2)s1 ZINC000152368928 134501475 /nfs/dbraw/zinc/50/14/75/134501475.db2.gz QTSSGEQXPNKPLO-UHFFFAOYSA-N 1 0 210.302 0.687 10 0 BCAERO Cc1cc(NCC[C@@H](C)[NH3+])n2ncnc2n1 ZINC000063171588 134524193 /nfs/dbraw/zinc/52/41/93/134524193.db2.gz UVHHPQLCEXTGOW-SSDOTTSWSA-N 1 0 220.280 0.582 10 0 BCAERO COCC[C@@H](C)[NH2+]C[C@@H]1CN(C)CCO1 ZINC000085790209 134544156 /nfs/dbraw/zinc/54/41/56/134544156.db2.gz GWRMAOCZWNFTKS-GHMZBOCLSA-N 1 0 216.325 0.332 10 0 BCAERO CO[C@H](C[NH3+])CC(=O)N1CCS[C@@H](C)C1 ZINC000232125613 134548794 /nfs/dbraw/zinc/54/87/94/134548794.db2.gz HSAOLLSJYWOURL-IUCAKERBSA-N 1 0 232.349 0.314 10 0 BCAERO CC(C)N(CC(N)=O)C(=O)[C@@H]1CC[NH2+][C@H](C)C1 ZINC000232635539 134553342 /nfs/dbraw/zinc/55/33/42/134553342.db2.gz VQZWJZRAFJEEPX-NXEZZACHSA-N 1 0 241.335 0.097 10 0 BCAERO CCCCNC(=O)CN1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000232978883 134558709 /nfs/dbraw/zinc/55/87/09/134558709.db2.gz GLYQJKIRYFEBDE-ZJUUUORDSA-N 1 0 213.325 0.182 10 0 BCAERO C[C@H]1CN(C(=O)c2ccccn2)C[C@@H]1[NH3+] ZINC000235668235 134596607 /nfs/dbraw/zinc/59/66/07/134596607.db2.gz GOZJWILMWAIXMH-IUCAKERBSA-N 1 0 205.261 0.501 10 0 BCAERO C[C@H]1CN(C(=O)c2cncc(F)c2)C[C@H]1[NH3+] ZINC000235678837 134597194 /nfs/dbraw/zinc/59/71/94/134597194.db2.gz UDUDMVDRZULTQZ-OIBJUYFYSA-N 1 0 223.251 0.640 10 0 BCAERO C[C@@H]1CO[C@H](CO)CN1CCC[NH+]1CCCC1 ZINC000129815017 134613932 /nfs/dbraw/zinc/61/39/32/134613932.db2.gz JXOBMSZJZJPSHS-OLZOCXBDSA-N 1 0 242.363 0.554 10 0 BCAERO C[C@H]1CN(C(=O)[C@@]2(C)CC[NH2+]C2)CCS1 ZINC000155686258 134695565 /nfs/dbraw/zinc/69/55/65/134695565.db2.gz PELDVWJJKWDAGI-ONGXEEELSA-N 1 0 228.361 0.950 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCS[C@H](C)C1 ZINC000158783870 134749341 /nfs/dbraw/zinc/74/93/41/134749341.db2.gz POFKLBBFBPINTE-OPRDCNLKSA-N 1 0 228.361 0.806 10 0 BCAERO COC(=O)C[C@H]1CN(CCC[NH+](C)C)CCO1 ZINC000135793758 134755251 /nfs/dbraw/zinc/75/52/51/134755251.db2.gz HWXZKKSEZCHPQI-NSHDSACASA-N 1 0 244.335 0.202 10 0 BCAERO C[NH2+]C[C@H]1CCCN(C(=O)[C@@H](C)COC)C1 ZINC000158943900 134827259 /nfs/dbraw/zinc/82/72/59/134827259.db2.gz AJPRFIZXHKDDGM-WDEREUQCSA-N 1 0 228.336 0.727 10 0 BCAERO CC[C@@H]1CC[C@@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC000070760281 135011609 /nfs/dbraw/zinc/01/16/09/135011609.db2.gz JIWYHENMSRKMAE-NXEZZACHSA-N 1 0 234.365 0.704 10 0 BCAERO CCn1ncnc1CN1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000248735309 135020368 /nfs/dbraw/zinc/02/03/68/135020368.db2.gz NMKBKSIMTLSWOX-VXGBXAGGSA-N 1 0 249.362 0.967 10 0 BCAERO C[C@@H]1C(=O)NCCC[N@H+]1C[C@@H](O)c1ccccc1 ZINC000249114433 135033599 /nfs/dbraw/zinc/03/35/99/135033599.db2.gz YJEARSBHBNSERI-DGCLKSJQSA-N 1 0 248.326 0.930 10 0 BCAERO C[C@@H](C[NH2+][C@@H]1CCOC[C@H]1C)N1CCOCC1 ZINC000249157510 135036218 /nfs/dbraw/zinc/03/62/18/135036218.db2.gz XNJOKVOPEPTBOD-FRRDWIJNSA-N 1 0 242.363 0.722 10 0 BCAERO COCCC[N@@H+]1CCC[C@@H](NC(C)=O)C1 ZINC000076709537 135048128 /nfs/dbraw/zinc/04/81/28/135048128.db2.gz CDFQMIHQNXNSMB-LLVKDONJSA-N 1 0 214.309 0.623 10 0 BCAERO CCC[C@@H](O)CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000251095413 135064303 /nfs/dbraw/zinc/06/43/03/135064303.db2.gz CDLHOIKLIFYTIX-NWDGAFQWSA-N 1 0 212.337 0.927 10 0 BCAERO COCC[C@H](C)NC(=O)[C@@H]1CCC[C@H]1[NH3+] ZINC000251211040 135066193 /nfs/dbraw/zinc/06/61/93/135066193.db2.gz MGSJGXUQCWMACT-IVZWLZJFSA-N 1 0 214.309 0.655 10 0 BCAERO C[C@@H]1C[N@@H+]([C@@H]2CCCC[C@@H]2O)CC[C@H]1O ZINC000251432352 135069555 /nfs/dbraw/zinc/06/95/55/135069555.db2.gz BIAITQULEBAQKL-KKOKHZNYSA-N 1 0 213.321 0.993 10 0 BCAERO COC(=O)[C@@H](C)C[N@@H+]1CCO[C@H](C)C1 ZINC000251682785 135073386 /nfs/dbraw/zinc/07/33/86/135073386.db2.gz HXNFMLBXCPTZBW-DTWKUNHWSA-N 1 0 201.266 0.516 10 0 BCAERO COC[C@H]([NH3+])C(=O)N1C[C@@H](C)[C@H](C)C1 ZINC000251785682 135078137 /nfs/dbraw/zinc/07/81/37/135078137.db2.gz NEBNZEMLPJQNMP-HLTSFMKQSA-N 1 0 200.282 0.075 10 0 BCAERO COCC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000247378817 135086238 /nfs/dbraw/zinc/08/62/38/135086238.db2.gz PQXMMIBTVOSVGE-NXEZZACHSA-N 1 0 214.309 0.478 10 0 BCAERO COC[C@H]([NH3+])C(=O)N1C[C@@H](C)CC[C@H]1C ZINC000251999391 135088116 /nfs/dbraw/zinc/08/81/16/135088116.db2.gz ZVLCUGVPXLTPLG-AEJSXWLSSA-N 1 0 214.309 0.607 10 0 BCAERO Cc1c(CN2C[C@@H](C)[NH2+][C@@H](C)C2)cnn1C ZINC000086552438 135089457 /nfs/dbraw/zinc/08/94/57/135089457.db2.gz JPYSPJWGFJBARY-AOOOYVTPSA-N 1 0 222.336 0.911 10 0 BCAERO Cc1c(CN2CCC[C@@H]([NH3+])C2)cnn1C ZINC000086552422 135089806 /nfs/dbraw/zinc/08/98/06/135089806.db2.gz MALMXRKWLSUFDC-LLVKDONJSA-N 1 0 208.309 0.652 10 0 BCAERO C[C@@H]1CCC[N@@H+]1C[C@@H](O)CN1CCCC1=O ZINC000252480725 135090861 /nfs/dbraw/zinc/09/08/61/135090861.db2.gz FPZXAXPTOKNPEP-GHMZBOCLSA-N 1 0 226.320 0.454 10 0 BCAERO OC[C@H]1C[N@H+](CC[C@H]2CCCO2)CCO1 ZINC000251456025 135093313 /nfs/dbraw/zinc/09/33/13/135093313.db2.gz UFZHLZYDYLNNAR-GHMZBOCLSA-N 1 0 215.293 0.249 10 0 BCAERO C[NH2+]C[C@H](C)C(=O)NC[C@H]1CCC[C@H]1O ZINC000252646763 135093491 /nfs/dbraw/zinc/09/34/91/135093491.db2.gz SJIDSQPVUCJTRA-IVZWLZJFSA-N 1 0 214.309 0.119 10 0 BCAERO C[C@H](O)CCCN1CC[N@@H+]2CCC[C@H]2C1 ZINC000251283410 135093533 /nfs/dbraw/zinc/09/35/33/135093533.db2.gz ZUQQMZFUYCDOOO-RYUDHWBXSA-N 1 0 212.337 0.927 10 0 BCAERO Cc1noc(CN2CC[N@@H+]3CCC[C@H]3C2)n1 ZINC000252668587 135095662 /nfs/dbraw/zinc/09/56/62/135095662.db2.gz XXHKMNPIFVSFEN-JTQLQIEISA-N 1 0 222.292 0.658 10 0 BCAERO [NH3+]C[C@@H]1CN(c2ccncc2Cl)CCO1 ZINC000086832920 135097654 /nfs/dbraw/zinc/09/76/54/135097654.db2.gz PXISVXDNODASLX-MRVPVSSYSA-N 1 0 227.695 0.899 10 0 BCAERO CCCCOCCN1CCO[C@@H](CO)C1 ZINC000086841553 135098770 /nfs/dbraw/zinc/09/87/70/135098770.db2.gz UOABLZFSTQSDCO-LLVKDONJSA-N 1 0 217.309 0.496 10 0 BCAERO COc1ccnc(N2CC[C@H]([NH3+])[C@@H](C)C2)n1 ZINC000086887359 135100643 /nfs/dbraw/zinc/10/06/43/135100643.db2.gz LWHIRCSLRVPTGE-IUCAKERBSA-N 1 0 222.292 0.659 10 0 BCAERO C[C@@H]1OCC[C@@H]1NC(=O)C[C@H]1CC[NH2+]C1 ZINC000252738386 135105744 /nfs/dbraw/zinc/10/57/44/135105744.db2.gz DFBUBLRKTHFMSG-AEJSXWLSSA-N 1 0 212.293 0.280 10 0 BCAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N1CCCOCC1 ZINC000087122889 135107298 /nfs/dbraw/zinc/10/72/98/135107298.db2.gz WXRGRPPKUBMMNA-QWRGUYRKSA-N 1 0 226.320 0.623 10 0 BCAERO O=C(CC[C@H]1CCC[NH2+]1)N[C@@H]1CCCOC1 ZINC000261571224 135110252 /nfs/dbraw/zinc/11/02/52/135110252.db2.gz HJFAFMCEOFEATR-GHMZBOCLSA-N 1 0 226.320 0.814 10 0 BCAERO C1OCC1[NH2+][C@H]1CCOC2(CCOCC2)C1 ZINC000087195565 135111307 /nfs/dbraw/zinc/11/13/07/135111307.db2.gz CPOBDLBTKAMUPF-JTQLQIEISA-N 1 0 227.304 0.703 10 0 BCAERO CC(C)[NH2+]CCN1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000252851931 135112842 /nfs/dbraw/zinc/11/28/42/135112842.db2.gz FYLULRACTGYZMK-SRVKXCTJSA-N 1 0 212.337 0.687 10 0 BCAERO CCC[C@H]([NH3+])C(=O)NC[C@@]1(C)CCCO1 ZINC000087253838 135114787 /nfs/dbraw/zinc/11/47/87/135114787.db2.gz LGYBCWSYBQXTIZ-GXSJLCMTSA-N 1 0 214.309 0.799 10 0 BCAERO CC(C)CNC(=O)[C@H](C)[N@@H+]1CC[C@H](CCO)C1 ZINC000252895341 135116346 /nfs/dbraw/zinc/11/63/46/135116346.db2.gz YLRCRTIJMXVNCZ-NWDGAFQWSA-N 1 0 242.363 0.851 10 0 BCAERO CCCCNC(=O)[C@H](C)[N@@H+]1CC[C@H](CCO)C1 ZINC000252890631 135116594 /nfs/dbraw/zinc/11/65/94/135116594.db2.gz IERQFZZDIUUDKW-NWDGAFQWSA-N 1 0 242.363 0.996 10 0 BCAERO CC(C)[C@H](C)NC(=O)C[N@@H+]1CC[C@H](CCO)C1 ZINC000252891136 135116957 /nfs/dbraw/zinc/11/69/57/135116957.db2.gz JKFKDOUXFLDYBL-NWDGAFQWSA-N 1 0 242.363 0.851 10 0 BCAERO COC(=O)[C@H](C)C[NH2+][C@H](C)[C@H](C)CO ZINC000252962774 135118002 /nfs/dbraw/zinc/11/80/02/135118002.db2.gz VWHVWJSQUUIKDV-IWSPIJDZSA-N 1 0 203.282 0.402 10 0 BCAERO C[C@@H]1CCN(c2ccnc(C(N)=O)c2)C[C@H]1C[NH3+] ZINC000253192699 135123861 /nfs/dbraw/zinc/12/38/61/135123861.db2.gz NOKQWNPLSVINIZ-NXEZZACHSA-N 1 0 248.330 0.602 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N[C@@H](C)CCCO ZINC000087360251 135125262 /nfs/dbraw/zinc/12/52/62/135125262.db2.gz HQPTYABNTLVJIZ-IUCAKERBSA-N 1 0 202.298 0.391 10 0 BCAERO Cc1nn(C)cc1[C@H](C)NC(=O)C1C[NH2+]C1 ZINC000263289596 135125790 /nfs/dbraw/zinc/12/57/90/135125790.db2.gz LGOXQTIJKANEFH-ZETCQYMHSA-N 1 0 222.292 0.125 10 0 BCAERO Cc1ccc(F)c(CNC[C@H]2C[NH2+]C[C@@H]2O)c1 ZINC000263229874 135125858 /nfs/dbraw/zinc/12/58/58/135125858.db2.gz NIALJYMRLHUUAO-AAEUAGOBSA-N 1 0 238.306 0.804 10 0 BCAERO C[C@H](CCC[NH3+])Nc1ccnc(C(N)=O)c1 ZINC000087362200 135126836 /nfs/dbraw/zinc/12/68/36/135126836.db2.gz JYTRJYASWATWST-MRVPVSSYSA-N 1 0 222.292 0.720 10 0 BCAERO Cc1ccccc1CNC(=O)NC1C[NH2+]C1 ZINC000258313196 135132255 /nfs/dbraw/zinc/13/22/55/135132255.db2.gz XFAWANMTHPNRAP-UHFFFAOYSA-N 1 0 219.288 0.766 10 0 BCAERO [NH3+]C[C@H]1CCCN1C(=O)C[C@@H]1CCCCO1 ZINC000087420111 135137143 /nfs/dbraw/zinc/13/71/43/135137143.db2.gz JUQHKLLIBYSRMJ-MNOVXSKESA-N 1 0 226.320 0.895 10 0 BCAERO Cc1cccc(N2CC[C@H](N3CC[NH2+]CC3)C2)n1 ZINC000257679669 135138917 /nfs/dbraw/zinc/13/89/17/135138917.db2.gz GQYOOUCZWPYJTH-ZDUSSCGKSA-N 1 0 246.358 0.874 10 0 BCAERO COc1ccnc(N2CC[C@@]3(CC[NH2+]C3)C2)n1 ZINC000257699796 135139914 /nfs/dbraw/zinc/13/99/14/135139914.db2.gz LAIWQCQUBHNSCB-GFCCVEGCSA-N 1 0 234.303 0.675 10 0 BCAERO Cc1ccncc1C(=O)N1CCC[C@@H]1C[NH3+] ZINC000257724072 135140481 /nfs/dbraw/zinc/14/04/81/135140481.db2.gz UDIVYYZVRLYUCL-SNVBAGLBSA-N 1 0 219.288 0.953 10 0 BCAERO C[C@@H]1C(=O)N(C)CCN1C[C@@H]1CCC[NH2+]C1 ZINC000257800677 135141990 /nfs/dbraw/zinc/14/19/90/135141990.db2.gz YLVIGKLJGVMZHT-GHMZBOCLSA-N 1 0 225.336 0.149 10 0 BCAERO CC1(C)CN(S(C)(=O)=O)CC[C@H]1[NH3+] ZINC000259321950 135142619 /nfs/dbraw/zinc/14/26/19/135142619.db2.gz XJBVQTLZTVTTHH-SSDOTTSWSA-N 1 0 206.311 0.005 10 0 BCAERO Cc1cnc(N2CC[C@]3(CC[NH2+]C3)C2)nc1 ZINC000259306734 135142687 /nfs/dbraw/zinc/14/26/87/135142687.db2.gz OTJUMDUYBWJKQB-LBPRGKRZSA-N 1 0 218.304 0.975 10 0 BCAERO CCCS(=O)(=O)N1CC[C@@H]([NH3+])[C@H]1C ZINC000261529240 135154917 /nfs/dbraw/zinc/15/49/17/135154917.db2.gz QHZDKZZVRXCIHZ-HTQZYQBOSA-N 1 0 206.311 0.148 10 0 BCAERO Cc1nc(C)c(CNC(=O)C2C[NH2+]C2)s1 ZINC000261529141 135155410 /nfs/dbraw/zinc/15/54/10/135155410.db2.gz AINMQCDBFHIYLG-UHFFFAOYSA-N 1 0 225.317 0.596 10 0 BCAERO COC[C@H]([NH3+])C(=O)N1[C@H](C)CC[C@@H]1C ZINC000261530278 135157247 /nfs/dbraw/zinc/15/72/47/135157247.db2.gz CECGHIQFMLBRLT-YIZRAAEISA-N 1 0 200.282 0.360 10 0 BCAERO CO[C@H](C)CNC(=O)[C@H]1CCC[NH2+][C@H]1C ZINC000261530802 135158790 /nfs/dbraw/zinc/15/87/90/135158790.db2.gz DDKYZXQZNOJYCH-UTLUCORTSA-N 1 0 214.309 0.526 10 0 BCAERO C[C@H]([NH3+])CC(=O)N1[C@H](C)COC[C@@H]1C ZINC000261531071 135159469 /nfs/dbraw/zinc/15/94/69/135159469.db2.gz FBMXXNWAUWBLOU-XHNCKOQMSA-N 1 0 200.282 0.360 10 0 BCAERO COc1cc(N2C[C@@H](C)[C@H]([NH3+])C2)ncn1 ZINC000261531379 135159708 /nfs/dbraw/zinc/15/97/08/135159708.db2.gz GHCMSRRUOFHILM-HTQZYQBOSA-N 1 0 208.265 0.269 10 0 BCAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)C(F)(F)C(F)F ZINC000261531202 135159995 /nfs/dbraw/zinc/15/99/95/135159995.db2.gz FPVGMUGYXKRMTF-RFZPGFLSSA-N 1 0 228.189 0.835 10 0 BCAERO O=C(NC[C@@H]1CC[NH2+]C1)c1ncccc1O ZINC000087655007 135161733 /nfs/dbraw/zinc/16/17/33/135161733.db2.gz PTQMNRCOXYOIJB-MRVPVSSYSA-N 1 0 221.260 0.127 10 0 BCAERO C[C@H]1[C@H]([NH3+])CCN1S(=O)(=O)c1cccs1 ZINC000261532160 135162791 /nfs/dbraw/zinc/16/27/91/135162791.db2.gz JLKPWNVPFRLLBP-JGVFFNPUSA-N 1 0 246.357 0.858 10 0 BCAERO CCOC(=O)CN1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261532808 135163245 /nfs/dbraw/zinc/16/32/45/135163245.db2.gz KFWHREVUEYZEQP-GUBZILKMSA-N 1 0 212.293 0.219 10 0 BCAERO COc1ccnc(N2CC[C@@H]([NH3+])[C@@H]2C)n1 ZINC000261532632 135163720 /nfs/dbraw/zinc/16/37/20/135163720.db2.gz KAUYJZABANFCLW-JGVFFNPUSA-N 1 0 208.265 0.411 10 0 BCAERO COC(=O)[C@@H](C)N(C)C[C@H]1CCC[NH2+]C1 ZINC000261533795 135165873 /nfs/dbraw/zinc/16/58/73/135165873.db2.gz LEUBHRBWBJYHKB-ZJUUUORDSA-N 1 0 214.309 0.479 10 0 BCAERO C[C@@H]1CN(C[C@H]2CCC[NH2+]C2)C[C@@H](CO)O1 ZINC000261535197 135168785 /nfs/dbraw/zinc/16/87/85/135168785.db2.gz WDTZJAAUROPZJX-WOPDTQHZSA-N 1 0 228.336 0.068 10 0 BCAERO Cc1c(CN2C[C@H](C)[C@H]([NH3+])C2)cnn1C ZINC000261535135 135169009 /nfs/dbraw/zinc/16/90/09/135169009.db2.gz NVLROEAPCACTIN-GZMMTYOYSA-N 1 0 208.309 0.508 10 0 BCAERO C[C@@H]([NH3+])CN1CCC[C@H]1c1cnn(C)c1 ZINC000261535709 135170663 /nfs/dbraw/zinc/17/06/63/135170663.db2.gz PCTBBXNRDQHOTE-KOLCDFICSA-N 1 0 208.309 0.904 10 0 BCAERO CCO[C@H]1C[C@H]1C(=O)NC(C)(C)C[NH3+] ZINC000261537132 135173417 /nfs/dbraw/zinc/17/34/17/135173417.db2.gz UYMZUQIBZFVPLS-SFYZADRCSA-N 1 0 200.282 0.265 10 0 BCAERO CCCC(=O)N[C@H]1CCCN(CC[NH3+])C1 ZINC000261537205 135173976 /nfs/dbraw/zinc/17/39/76/135173976.db2.gz VFMMAWXJDOSKMC-JTQLQIEISA-N 1 0 213.325 0.326 10 0 BCAERO COC[C@H]([NH3+])C(=O)N1CC[C@H](C)[C@@H]1C ZINC000261538701 135176289 /nfs/dbraw/zinc/17/62/89/135176289.db2.gz YZNRXRHCFZWQDH-CIUDSAMLSA-N 1 0 200.282 0.217 10 0 BCAERO [NH3+][C@@H]1CC[C@@H]2CN(Cc3csnn3)C[C@H]12 ZINC000261538945 135177020 /nfs/dbraw/zinc/17/70/20/135177020.db2.gz ZYAOPKLCYNTOES-FKTZTGRPSA-N 1 0 224.333 0.707 10 0 BCAERO CO[C@@H]1CCC[C@H]1CNC(=O)C1C[NH2+]C1 ZINC000261539250 135177805 /nfs/dbraw/zinc/17/78/05/135177805.db2.gz BXPFGDCMHOXVOC-WCBMZHEXSA-N 1 0 212.293 0.137 10 0 BCAERO CC[C@@H]1CC[C@H](C(=O)NC[C@@H](C)[NH2+]C)O1 ZINC000261539230 135177889 /nfs/dbraw/zinc/17/78/89/135177889.db2.gz BWIJGDUSMLIXOZ-OPRDCNLKSA-N 1 0 214.309 0.668 10 0 BCAERO O=C(NC[C@H]1C[NH2+]C[C@H]1O)c1ccsc1 ZINC000261539330 135178043 /nfs/dbraw/zinc/17/80/43/135178043.db2.gz CDCVKIFECVROKH-RKDXNWHRSA-N 1 0 226.301 0.058 10 0 BCAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)c1ccsc1 ZINC000261539329 135178100 /nfs/dbraw/zinc/17/81/00/135178100.db2.gz CDCVKIFECVROKH-IUCAKERBSA-N 1 0 226.301 0.058 10 0 BCAERO O[C@@H]1C[NH2+]C[C@@H]1CNCc1ncc(Cl)s1 ZINC000261539743 135178347 /nfs/dbraw/zinc/17/83/47/135178347.db2.gz DBTOFCSWPGJAFB-RNFRBKRXSA-N 1 0 247.751 0.466 10 0 BCAERO O=C(NC1CC[NH2+]CC1)[C@@H]1C[C@H]1C1CC1 ZINC000261539980 135178444 /nfs/dbraw/zinc/17/84/44/135178444.db2.gz DJVBMBIDUFDZLE-WDEREUQCSA-N 1 0 208.305 0.901 10 0 BCAERO O[C@@H]1C[NH2+]C[C@H]1CNCc1ncc(Cl)s1 ZINC000261539741 135178481 /nfs/dbraw/zinc/17/84/81/135178481.db2.gz DBTOFCSWPGJAFB-NKWVEPMBSA-N 1 0 247.751 0.466 10 0 BCAERO CC1CC(NC(=O)[C@@H]2CC(F)(F)CN2)C1 ZINC000261539930 135178749 /nfs/dbraw/zinc/17/87/49/135178749.db2.gz DJKAUGRAOXYZMA-RRQHEKLDSA-N 1 0 218.247 0.898 10 0 BCAERO C[C@@H]1CN(C(=O)[C@@H](O)c2ccccc2)C[C@H]1[NH3+] ZINC000261540636 135179861 /nfs/dbraw/zinc/17/98/61/135179861.db2.gz GUUBGYCNXFDMKQ-JLLWLGSASA-N 1 0 234.299 0.526 10 0 BCAERO C[C@]1(CNC(=O)[C@H]2CC[NH2+]C2)CCOC1 ZINC000261540823 135180182 /nfs/dbraw/zinc/18/01/82/135180182.db2.gz FIAFXJMFXCMWJY-GXSJLCMTSA-N 1 0 212.293 0.139 10 0 BCAERO COc1cc(OC)nc(N2CC[C@@H]([NH3+])[C@H]2C)n1 ZINC000261542748 135183108 /nfs/dbraw/zinc/18/31/08/135183108.db2.gz CLIQDANJXDDXGD-HTQZYQBOSA-N 1 0 238.291 0.420 10 0 BCAERO CC[C@H](OC)C(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000261544264 135185077 /nfs/dbraw/zinc/18/50/77/135185077.db2.gz IUHQDZZFPWCOAF-AEJSXWLSSA-N 1 0 214.309 0.655 10 0 BCAERO C[N@@H+]1CCCN(C(=O)CC[C@H]2CCC[NH2+]2)CC1 ZINC000261544059 135185486 /nfs/dbraw/zinc/18/54/86/135185486.db2.gz DNYXMTAJWHBGDA-GFCCVEGCSA-N 1 0 239.363 0.683 10 0 BCAERO COCC1(CNc2ncccn2)CC[NH2+]CC1 ZINC000261544975 135185971 /nfs/dbraw/zinc/18/59/71/135185971.db2.gz FLIDRBIKBJCKNN-UHFFFAOYSA-N 1 0 236.319 0.905 10 0 BCAERO COC[C@H](C)C(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000261544874 135186145 /nfs/dbraw/zinc/18/61/45/135186145.db2.gz JHIMZZFLKGDZFP-GUBZILKMSA-N 1 0 214.309 0.465 10 0 BCAERO COc1ccnc(N2CC[C@H]3[NH2+]CC[C@H]3C2)n1 ZINC000261545099 135186411 /nfs/dbraw/zinc/18/64/11/135186411.db2.gz FMWAIWUXXJYTNY-VHSXEESVSA-N 1 0 234.303 0.673 10 0 BCAERO C[C@H](C(=O)NC1CC1)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261549010 135187382 /nfs/dbraw/zinc/18/73/82/135187382.db2.gz KCWUAZKQLNJFHR-KOLCDFICSA-N 1 0 239.363 0.713 10 0 BCAERO CN(C(=O)[C@@H]1C[C@@H]1C1CC1)[C@@H]1CC[NH2+]C1 ZINC000261548643 135187641 /nfs/dbraw/zinc/18/76/41/135187641.db2.gz NSTGRYMOCVWPBR-GMTAPVOTSA-N 1 0 208.305 0.853 10 0 BCAERO Cc1c(CN2CC[NH2+]C[C@H]2C)cnn1C ZINC000261551323 135190238 /nfs/dbraw/zinc/19/02/38/135190238.db2.gz QIJNFEPZAYLRFB-SECBINFHSA-N 1 0 208.309 0.522 10 0 BCAERO C[C@H]1CCN(c2ncnc3nc[nH]c32)[C@H](C[NH3+])C1 ZINC000261551209 135190312 /nfs/dbraw/zinc/19/03/12/135190312.db2.gz TYCBDAMHXSHTEG-IUCAKERBSA-N 1 0 246.318 0.917 10 0 BCAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)[C@H]1Cc2ccccc2O1 ZINC000261553654 135192542 /nfs/dbraw/zinc/19/25/42/135192542.db2.gz AKIWYCVEMUSBDE-SUZMYJTESA-N 1 0 246.310 0.938 10 0 BCAERO CC(C)[C@H](NC(=O)[C@@H]1CCC[C@H]([NH3+])C1)C(N)=O ZINC000261553283 135192592 /nfs/dbraw/zinc/19/25/92/135192592.db2.gz NSLFUHVLIRDKDU-UTLUCORTSA-N 1 0 241.335 0.130 10 0 BCAERO [NH3+]C1(C(=O)NC[C@@H]2CCC[C@H]2O)CCCC1 ZINC000084238984 135194189 /nfs/dbraw/zinc/19/41/89/135194189.db2.gz IDTFLYGVDMHGOB-VHSXEESVSA-N 1 0 226.320 0.535 10 0 BCAERO CC(C)([NH3+])C(=O)NC[C@H]1CCC[C@@H]1O ZINC000084238487 135194308 /nfs/dbraw/zinc/19/43/08/135194308.db2.gz MGLQGCGPNVBZDD-SFYZADRCSA-N 1 0 200.282 0.001 10 0 BCAERO [NH3+]C1(C(=O)NC[C@H]2CCC[C@H]2O)CCCC1 ZINC000084238986 135194567 /nfs/dbraw/zinc/19/45/67/135194567.db2.gz IDTFLYGVDMHGOB-NXEZZACHSA-N 1 0 226.320 0.535 10 0 BCAERO O=C(NC[C@@H]1CCC[C@@H]1O)[C@@H]1CCC[NH2+]1 ZINC000084238532 135194586 /nfs/dbraw/zinc/19/45/86/135194586.db2.gz ITAJELBABIXTPJ-GUBZILKMSA-N 1 0 212.293 0.016 10 0 BCAERO COC[C@@]1(C(=O)N[C@H](C)CC2CC2)CC[NH2+]C1 ZINC000261556139 135196259 /nfs/dbraw/zinc/19/62/59/135196259.db2.gz QJKNGKOYIIHJEV-ZWNOBZJWSA-N 1 0 240.347 0.917 10 0 BCAERO C[C@@H](C[C@H]1CCCO1)NC(=O)C1C[NH2+]C1 ZINC000261558931 135199755 /nfs/dbraw/zinc/19/97/55/135199755.db2.gz YQOTZNLLJGJRKT-WCBMZHEXSA-N 1 0 212.293 0.280 10 0 BCAERO C[C@H]1[NH2+]CCC[C@H]1NS(=O)(=O)CCC1CC1 ZINC000261560580 135200737 /nfs/dbraw/zinc/20/07/37/135200737.db2.gz ABTBQYOHXFMZBR-MWLCHTKSSA-N 1 0 246.376 0.846 10 0 BCAERO Cc1nccc(N2CC[C@H]3C[NH2+]C[C@H]3C2)n1 ZINC000261561146 135202063 /nfs/dbraw/zinc/20/20/63/135202063.db2.gz AJZSYSGNHQGHFP-QWRGUYRKSA-N 1 0 218.304 0.831 10 0 BCAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)C[C@@H]1CCCCO1 ZINC000261561162 135202181 /nfs/dbraw/zinc/20/21/81/135202181.db2.gz AKLNHWRJKSDXDK-OUAUKWLOSA-N 1 0 226.320 0.894 10 0 BCAERO Cn1ccnc1CN1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261561510 135202636 /nfs/dbraw/zinc/20/26/36/135202636.db2.gz AQOBSESGAZNFCU-SNVBAGLBSA-N 1 0 222.336 0.979 10 0 BCAERO C(c1noc(C2CC2)n1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261561620 135202895 /nfs/dbraw/zinc/20/28/95/135202895.db2.gz GAGSMMMNQRYCII-MNOVXSKESA-N 1 0 248.330 0.988 10 0 BCAERO Cc1c(CN2CC[C@@H]3[NH2+]CC[C@@H]3C2)cnn1C ZINC000261562070 135203719 /nfs/dbraw/zinc/20/37/19/135203719.db2.gz VZHSIHWXEWWYME-YPMHNXCESA-N 1 0 234.347 0.912 10 0 BCAERO [NH3+]C[C@@H]1CCCN1S(=O)(=O)CCC1CCC1 ZINC000261562687 135204707 /nfs/dbraw/zinc/20/47/07/135204707.db2.gz BNEFUPFZIRQVOH-NSHDSACASA-N 1 0 246.376 0.930 10 0 BCAERO C[C@H]1CN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])CCO1 ZINC000084308699 135207106 /nfs/dbraw/zinc/20/71/06/135207106.db2.gz UJZZOFBMTMIOHY-HBNTYKKESA-N 1 0 226.320 0.609 10 0 BCAERO CC(C)(C)NC(=O)CN1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261564566 135207137 /nfs/dbraw/zinc/20/71/37/135207137.db2.gz XSUMMJXTPNYYSM-HBNTYKKESA-N 1 0 239.363 0.570 10 0 BCAERO CC[N@H+](C)CCNC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000084310662 135207355 /nfs/dbraw/zinc/20/73/55/135207355.db2.gz FUSGKTWKCVFBPD-GHMZBOCLSA-N 1 0 227.352 0.429 10 0 BCAERO O=C(CC[C@H]1CCC[NH2+]1)NC[C@H]1CCCO1 ZINC000261566028 135207591 /nfs/dbraw/zinc/20/75/91/135207591.db2.gz DGCRIYZJOBQXQD-GHMZBOCLSA-N 1 0 226.320 0.814 10 0 BCAERO Cc1nc(CNC(=O)CC[C@H]2CCC[NH2+]2)no1 ZINC000261565361 135208008 /nfs/dbraw/zinc/20/80/08/135208008.db2.gz YFFYODSNDMJWGU-SECBINFHSA-N 1 0 238.291 0.526 10 0 BCAERO C[C@H](C(=O)NC[C@H](O)c1ccccc1)C1C[NH2+]C1 ZINC000163878768 135209460 /nfs/dbraw/zinc/20/94/60/135209460.db2.gz HRYFHHQBEKLZNQ-GWCFXTLKSA-N 1 0 248.326 0.692 10 0 BCAERO CN(C(=O)CC[C@H]1CCC[NH2+]1)[C@H]1CCOC1 ZINC000261569484 135211002 /nfs/dbraw/zinc/21/10/02/135211002.db2.gz GIESLTQLHBKZDH-MNOVXSKESA-N 1 0 226.320 0.766 10 0 BCAERO CN(C)c1nccc(N2CC[C@H]3[NH2+]CC[C@H]3C2)n1 ZINC000261569831 135211878 /nfs/dbraw/zinc/21/18/78/135211878.db2.gz KBKISVLNFSBBET-WDEREUQCSA-N 1 0 247.346 0.731 10 0 BCAERO C[C@@H](NC(=O)C[NH2+]C[C@@H]1CCCO1)C1CC1 ZINC000261570419 135212066 /nfs/dbraw/zinc/21/20/66/135212066.db2.gz GXPYNODPAWBBAE-KOLCDFICSA-N 1 0 226.320 0.670 10 0 BCAERO CO[C@@H]1CCN(C(=O)[C@H]2CC[C@H]([NH3+])C2)C1 ZINC000261571657 135213934 /nfs/dbraw/zinc/21/39/34/135213934.db2.gz HQWOZWRTZWPMRC-LPEHRKFASA-N 1 0 212.293 0.361 10 0 BCAERO [NH3+][C@@H]1CC[C@H]2CN(C(=O)CCn3ccnc3)C[C@H]12 ZINC000261571834 135214033 /nfs/dbraw/zinc/21/40/33/135214033.db2.gz LILGWQKLFSSYKK-SDDRHHMPSA-N 1 0 248.330 0.469 10 0 BCAERO CC(C)CNC(=O)[C@H]([NH3+])C1CCOCC1 ZINC000261571668 135214305 /nfs/dbraw/zinc/21/43/05/135214305.db2.gz HRLNQYUCOJRJAN-SNVBAGLBSA-N 1 0 214.309 0.513 10 0 BCAERO C[C@H](C(=O)N(C)CCc1ccncc1)C1C[NH2+]C1 ZINC000164107688 135214448 /nfs/dbraw/zinc/21/44/48/135214448.db2.gz QECNTWIJRBUPLU-NSHDSACASA-N 1 0 247.342 0.938 10 0 BCAERO C[C@H]([NH2+]C1CC1)C(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000261572803 135214481 /nfs/dbraw/zinc/21/44/81/135214481.db2.gz IIDDMFMAMMOHBQ-BBBLOLIVSA-N 1 0 226.320 0.763 10 0 BCAERO Cn1ccnc1CN1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261573362 135214520 /nfs/dbraw/zinc/21/45/20/135214520.db2.gz IRWWEWJGNOEXGA-AXFHLTTASA-N 1 0 220.320 0.589 10 0 BCAERO [NH3+]C[C@@H]1CCCN1C(=O)C[C@H]1CCOC1 ZINC000261574117 135215977 /nfs/dbraw/zinc/21/59/77/135215977.db2.gz JBZCEMSWKZEBTA-ZJUUUORDSA-N 1 0 212.293 0.363 10 0 BCAERO COC(=O)CCNC(=O)CC[C@H]1CCC[NH2+]1 ZINC000261575024 135217036 /nfs/dbraw/zinc/21/70/36/135217036.db2.gz JMTAMYMDVCFOLL-SECBINFHSA-N 1 0 228.292 0.198 10 0 BCAERO O=C(CC[C@H]1CCC[NH2+]1)NC1CCOCC1 ZINC000261580162 135221002 /nfs/dbraw/zinc/22/10/02/135221002.db2.gz MSGMLLABSHXBIG-SNVBAGLBSA-N 1 0 226.320 0.814 10 0 BCAERO Cc1cnc(C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cn1 ZINC000261581288 135222221 /nfs/dbraw/zinc/22/22/21/135222221.db2.gz QNIOFOCGRINUML-DCAQKATOSA-N 1 0 246.314 0.594 10 0 BCAERO Cc1nc([C@H]2CCCN2C[C@@H](C)[NH3+])no1 ZINC000261582039 135222514 /nfs/dbraw/zinc/22/25/14/135222514.db2.gz NZVHRZJQAHKLNN-VXNVDRBHSA-N 1 0 210.281 0.862 10 0 BCAERO [NH3+][C@@H]1CC[C@@H]2CN(Cc3cc[nH]n3)C[C@H]12 ZINC000261583364 135224227 /nfs/dbraw/zinc/22/42/27/135224227.db2.gz OYJSFOZLWHZISI-DVVUODLYSA-N 1 0 206.293 0.579 10 0 BCAERO Cc1n[nH]c(C)c1CN1C[C@H]([NH3+])[C@@H](C)C1 ZINC000261583544 135224259 /nfs/dbraw/zinc/22/42/59/135224259.db2.gz PCWQDMPOHSKHAD-CPCISQLKSA-N 1 0 208.309 0.806 10 0 BCAERO C[C@@H]1OCC[C@H]1NC(=O)CC[C@H]1CCC[NH2+]1 ZINC000261583888 135224863 /nfs/dbraw/zinc/22/48/63/135224863.db2.gz PIYJSMYOEDZVTN-HBNTYKKESA-N 1 0 226.320 0.812 10 0 BCAERO C[C@@H]1CCN(Cc2cnn(C)n2)[C@@H](C[NH3+])C1 ZINC000261583856 135224910 /nfs/dbraw/zinc/22/49/10/135224910.db2.gz PHLLTNQMWSOTKS-MWLCHTKSSA-N 1 0 223.324 0.374 10 0 BCAERO CC(C)([NH3+])CNc1ncc(C(N)=O)cc1Cl ZINC000261584378 135225359 /nfs/dbraw/zinc/22/53/59/135225359.db2.gz PTUXQNFDWRDDKA-UHFFFAOYSA-N 1 0 242.710 0.983 10 0 BCAERO Cn1nccc1CN1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261584553 135226293 /nfs/dbraw/zinc/22/62/93/135226293.db2.gz PYGJFRMCQHWHST-LLVKDONJSA-N 1 0 222.336 0.979 10 0 BCAERO Cc1nnc2ccc(NCC(C)(C)[NH3+])nn12 ZINC000261585945 135226768 /nfs/dbraw/zinc/22/67/68/135226768.db2.gz QRTYEWZNAISDOL-UHFFFAOYSA-N 1 0 220.280 0.582 10 0 BCAERO CCc1cnc(NC(=O)[C@H]([NH3+])COC)s1 ZINC000261588604 135229419 /nfs/dbraw/zinc/22/94/19/135229419.db2.gz SLMHZEFJUJAIQV-SSDOTTSWSA-N 1 0 229.305 0.618 10 0 BCAERO CCOc1cc(N2CC[C@@H]([NH3+])[C@@H]2C)ncn1 ZINC000261589960 135231163 /nfs/dbraw/zinc/23/11/63/135231163.db2.gz UFSHKGWFFVOLIB-DTWKUNHWSA-N 1 0 222.292 0.801 10 0 BCAERO [NH3+][C@@H]1CC[C@H]2CN(Cc3cocn3)C[C@@H]12 ZINC000261592819 135233370 /nfs/dbraw/zinc/23/33/70/135233370.db2.gz WDWOIMVYPQWKNL-JMJZKYOTSA-N 1 0 207.277 0.844 10 0 BCAERO C[NH2+]C1CCN(Cc2cnn(C)c2C)CC1 ZINC000261594306 135234542 /nfs/dbraw/zinc/23/45/42/135234542.db2.gz XLXJQBUFOQZOGZ-UHFFFAOYSA-N 1 0 222.336 0.912 10 0 BCAERO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)c3ccon3)C[C@H]12 ZINC000261595265 135234755 /nfs/dbraw/zinc/23/47/55/135234755.db2.gz YAEDVEUWLFJUPE-HRDYMLBCSA-N 1 0 221.260 0.484 10 0 BCAERO Cc1nccnc1N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261594786 135235184 /nfs/dbraw/zinc/23/51/84/135235184.db2.gz XRQDCSMHHWFSPL-GARJFASQSA-N 1 0 218.304 0.959 10 0 BCAERO CC(C)NC(=O)CN1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261596143 135236253 /nfs/dbraw/zinc/23/62/53/135236253.db2.gz YNXGIQMLHPGWIZ-AXFHLTTASA-N 1 0 225.336 0.180 10 0 BCAERO C[C@@H]1C[C@@H]1NC(=O)[C@@H]([NH3+])C1CCOCC1 ZINC000261547998 135240743 /nfs/dbraw/zinc/24/07/43/135240743.db2.gz MZPJBZRIIZPRNJ-JEZHCXPESA-N 1 0 212.293 0.265 10 0 BCAERO O=C(NC[C@@H]1CC[NH2+]C1)[C@@H]1C[C@@H]1C1CC1 ZINC000261547773 135240809 /nfs/dbraw/zinc/24/08/09/135240809.db2.gz MSPRQADSRZAWFD-FBIMIBRVSA-N 1 0 208.305 0.758 10 0 BCAERO Cn1nccc1C(=O)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261547897 135240835 /nfs/dbraw/zinc/24/08/35/135240835.db2.gz IXCYIGQHLHONGR-JTQLQIEISA-N 1 0 236.319 0.620 10 0 BCAERO C[C@H]1CCN(C(=O)COCC2CC2)[C@@H](C[NH3+])C1 ZINC000261651174 135242615 /nfs/dbraw/zinc/24/26/15/135242615.db2.gz BLLODUYYZVZMIF-CMPLNLGQSA-N 1 0 240.347 0.999 10 0 BCAERO COC[C@H](C)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000261642965 135242711 /nfs/dbraw/zinc/24/27/11/135242711.db2.gz AWGRBWFAVYSUDD-SDDRHHMPSA-N 1 0 240.347 0.727 10 0 BCAERO C[C@@H]1CCN(C(=O)COCC2CC2)[C@@H](C[NH3+])C1 ZINC000261651177 135242867 /nfs/dbraw/zinc/24/28/67/135242867.db2.gz BLLODUYYZVZMIF-ZYHUDNBSSA-N 1 0 240.347 0.999 10 0 BCAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)NC[C@H]1CCC[C@H]1O ZINC000261647690 135242900 /nfs/dbraw/zinc/24/29/00/135242900.db2.gz DGWYXWOETFUXJC-DDHJBXDOSA-N 1 0 240.347 0.639 10 0 BCAERO C[C@@H](NC(=O)[C@H]([NH3+])C1CCOCC1)C1CC1 ZINC000261689710 135246193 /nfs/dbraw/zinc/24/61/93/135246193.db2.gz HKBWSXILKGFAJV-LDYMZIIASA-N 1 0 226.320 0.655 10 0 BCAERO C[C@@H]([NH3+])CC(=O)N1CC[C@H](c2cnn(C)c2)C1 ZINC000261701974 135246597 /nfs/dbraw/zinc/24/65/97/135246597.db2.gz CSLGHFLETVGIJZ-ZJUUUORDSA-N 1 0 236.319 0.473 10 0 BCAERO CCOCCO[C@H](C)C(=O)NC[C@H](C)[NH2+]C ZINC000261715401 135247271 /nfs/dbraw/zinc/24/72/71/135247271.db2.gz KIVPAJWMKURBEO-VHSXEESVSA-N 1 0 232.324 0.152 10 0 BCAERO CO[C@H]1C[C@H](NC(=O)[C@@H]2C[NH2+]C[C@H]2C)C1(C)C ZINC000261717895 135247759 /nfs/dbraw/zinc/24/77/59/135247759.db2.gz NEAQKVRFTBGHIW-ZNSHCXBVSA-N 1 0 240.347 0.772 10 0 BCAERO O=C(NC[C@H](O)c1ccccc1)C1C[NH2+]C1 ZINC000084408809 135247970 /nfs/dbraw/zinc/24/79/70/135247970.db2.gz FNPSHEUNPBYAJY-NSHDSACASA-N 1 0 220.272 0.056 10 0 BCAERO CC(=O)N(C)CC(=O)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261735799 135248853 /nfs/dbraw/zinc/24/88/53/135248853.db2.gz DBHHZXXPBCBYMQ-SNVBAGLBSA-N 1 0 241.335 0.051 10 0 BCAERO COC(=O)[C@H](C)CNC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261746903 135249810 /nfs/dbraw/zinc/24/98/10/135249810.db2.gz MIUHAQXGTIEVOM-OPRDCNLKSA-N 1 0 242.319 0.287 10 0 BCAERO C[C@H]1CN(C)CCN1C(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000261757055 135250629 /nfs/dbraw/zinc/25/06/29/135250629.db2.gz NCMMTLMQPLPKOD-SDDRHHMPSA-N 1 0 239.363 0.666 10 0 BCAERO CSC[C@H](C)NC(=O)[C@H]([NH3+])C1CCOCC1 ZINC000261758006 135250885 /nfs/dbraw/zinc/25/08/85/135250885.db2.gz LOGKOKIDYSNBMH-WCBMZHEXSA-N 1 0 246.376 0.608 10 0 BCAERO C[C@@H](C(=O)Nc1cccc(C(N)=O)c1)C1C[NH2+]C1 ZINC000164423724 135252227 /nfs/dbraw/zinc/25/22/27/135252227.db2.gz ZMLNAUFVOHUWOI-MRVPVSSYSA-N 1 0 247.298 0.580 10 0 BCAERO C[C@H]1OCCN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])[C@@H]1C ZINC000261797698 135253453 /nfs/dbraw/zinc/25/34/53/135253453.db2.gz MKUJGEZIWHFSLP-DDHJBXDOSA-N 1 0 240.347 0.997 10 0 BCAERO CC[C@@H]1CCN(C(=O)[C@@H]([NH3+])C2CCOCC2)C1 ZINC000261811527 135254390 /nfs/dbraw/zinc/25/43/90/135254390.db2.gz OSZIXIPLSWTTCI-PWSUYJOCSA-N 1 0 240.347 0.999 10 0 BCAERO CC(C)[C@H]1OCC[C@@H]1CNC(=O)C[C@H](C)[NH3+] ZINC000261818426 135255472 /nfs/dbraw/zinc/25/54/72/135255472.db2.gz MGVIVHSXGKEIOP-HOSYDEDBSA-N 1 0 228.336 0.901 10 0 BCAERO C[C@@H]1OCC[C@H]1NC(=O)[C@@H]([NH3+])C1CCOCC1 ZINC000261818340 135255666 /nfs/dbraw/zinc/25/56/66/135255666.db2.gz PGLHBSMQGYUUIQ-GDPRMGEGSA-N 1 0 242.319 0.034 10 0 BCAERO CC(C)NC(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000261841463 135257336 /nfs/dbraw/zinc/25/73/36/135257336.db2.gz AJXRJPCMCUXWNP-MNOVXSKESA-N 1 0 236.319 0.248 10 0 BCAERO C[C@H]1CCCN(C(=O)[C@@H]([NH3+])C2CCOCC2)C1 ZINC000261881024 135259812 /nfs/dbraw/zinc/25/98/12/135259812.db2.gz UPRGPJDILDHBLU-JQWIXIFHSA-N 1 0 240.347 0.999 10 0 BCAERO COC[C@H](C)CNC(=O)[C@@H]([NH3+])C1CCOCC1 ZINC000261904525 135261497 /nfs/dbraw/zinc/26/14/97/135261497.db2.gz WWKSWGMANUQEDH-KOLCDFICSA-N 1 0 244.335 0.139 10 0 BCAERO CN(CC(F)F)C(=O)[C@@H]([NH3+])C1CCOCC1 ZINC000261901829 135261622 /nfs/dbraw/zinc/26/16/22/135261622.db2.gz WOFSZEVLIQOSQH-VIFPVBQESA-N 1 0 236.262 0.464 10 0 BCAERO NC(=[NH2+])NCCNC(=O)CC1CCCC1 ZINC000261933146 135264648 /nfs/dbraw/zinc/26/46/48/135264648.db2.gz BVJWEDGJNAWPIG-UHFFFAOYSA-N 1 0 212.297 0.166 10 0 BCAERO C[C@H]1CN(Cc2cnc(N(C)C)nc2)C[C@H]1[NH3+] ZINC000261977812 135268592 /nfs/dbraw/zinc/26/85/92/135268592.db2.gz IWKIGKGWELUGGG-GXSJLCMTSA-N 1 0 235.335 0.322 10 0 BCAERO CS(=O)(=O)[C@@H]1CCN(C[C@@H]2CCC[NH2+]C2)C1 ZINC000261975324 135268746 /nfs/dbraw/zinc/26/87/46/135268746.db2.gz QUEZMMUCUORPDB-GHMZBOCLSA-N 1 0 246.376 0.105 10 0 BCAERO C[C@H]1CN(Cc2ccnc(N(C)C)n2)C[C@@H]1[NH3+] ZINC000261979049 135269001 /nfs/dbraw/zinc/26/90/01/135269001.db2.gz JAXBJTKJGXYDRV-ONGXEEELSA-N 1 0 235.335 0.322 10 0 BCAERO COCCCN(C)C(=O)[C@H]([NH3+])C1CCOCC1 ZINC000262003200 135271216 /nfs/dbraw/zinc/27/12/16/135271216.db2.gz NOFCCHUHLGGQOS-LLVKDONJSA-N 1 0 244.335 0.235 10 0 BCAERO C[C@@H]1c2nncn2CCN1C[C@@H]1CCC[NH2+]C1 ZINC000262003755 135271618 /nfs/dbraw/zinc/27/16/18/135271618.db2.gz UJLYZWSLPYZXGB-GHMZBOCLSA-N 1 0 235.335 0.654 10 0 BCAERO CCO[C@H](C)C(=O)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000262026290 135273720 /nfs/dbraw/zinc/27/37/20/135273720.db2.gz PBLMSDVZAVTQEE-ZJUUUORDSA-N 1 0 228.336 0.997 10 0 BCAERO CN(C)C(=O)CC(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000262029957 135273917 /nfs/dbraw/zinc/27/39/17/135273917.db2.gz BKVGRADNWASINO-SNVBAGLBSA-N 1 0 241.335 0.052 10 0 BCAERO COC[C@H]([NH3+])C(=O)N([C@H](C)C1CC1)C1CC1 ZINC000262047033 135276213 /nfs/dbraw/zinc/27/62/13/135276213.db2.gz GYKZXHIFYFXNCD-KCJUWKMLSA-N 1 0 226.320 0.750 10 0 BCAERO O=C(CCC1CCCC1)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000262072798 135277948 /nfs/dbraw/zinc/27/79/48/135277948.db2.gz BVCXYVOLXVSFLS-NWDGAFQWSA-N 1 0 240.347 0.653 10 0 BCAERO CN(Cc1ccnn1C)C[C@@]1(C)CC[NH2+]C1 ZINC000262095440 135278449 /nfs/dbraw/zinc/27/84/49/135278449.db2.gz VCOGOXDRWAMDBL-LBPRGKRZSA-N 1 0 222.336 0.852 10 0 BCAERO C[C@H]1CN(Cc2cnc3cnccn23)C[C@@H]1[NH3+] ZINC000262109268 135279569 /nfs/dbraw/zinc/27/95/69/135279569.db2.gz WFSZIWIDURZMAD-ONGXEEELSA-N 1 0 231.303 0.508 10 0 BCAERO C[C@@H]1C[NH2+][C@@H](C)CN1Cc1ccnc(N(C)C)n1 ZINC000262122177 135280286 /nfs/dbraw/zinc/28/02/86/135280286.db2.gz XIZJUBXSVJWXTO-WDEREUQCSA-N 1 0 249.362 0.725 10 0 BCAERO C[C@H](N[C@H]1CC[NH2+]C1)C(=O)NCc1ccccc1 ZINC000262138977 135281110 /nfs/dbraw/zinc/28/11/10/135281110.db2.gz ONSLRRBVVXOLHE-AAEUAGOBSA-N 1 0 247.342 0.643 10 0 BCAERO C[C@@H]1CCN(C(=O)[C@H]2C[C@H](F)C[NH2+]2)C1 ZINC000262138559 135281379 /nfs/dbraw/zinc/28/13/79/135281379.db2.gz PFOWNGJOVMYFRL-HRDYMLBCSA-N 1 0 200.257 0.555 10 0 BCAERO Cc1ccccc1CC(=O)NC[C@H]1C[NH2+]C[C@H]1O ZINC000262144461 135281498 /nfs/dbraw/zinc/28/14/98/135281498.db2.gz HJSLSKMEYZTDIB-CHWSQXEVSA-N 1 0 248.326 0.234 10 0 BCAERO O[C@@H]1C[NH2+]C[C@@H]1CNCc1ccccc1F ZINC000262165094 135282978 /nfs/dbraw/zinc/28/29/78/135282978.db2.gz UFYOBXYODPNSKO-CMPLNLGQSA-N 1 0 224.279 0.496 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N(C)CCc1nccs1 ZINC000262173010 135283760 /nfs/dbraw/zinc/28/37/60/135283760.db2.gz AXCHMWLLCVKOQE-MRVPVSSYSA-N 1 0 243.332 0.118 10 0 BCAERO COC[C@@H]([NH3+])C(=O)Nc1ccc(C)c2c[nH]nc21 ZINC000262171400 135284101 /nfs/dbraw/zinc/28/41/01/135284101.db2.gz ATZSXSMCKDPBPF-SECBINFHSA-N 1 0 248.286 0.784 10 0 BCAERO C[C@H]1C[C@@H]1CNC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000262191864 135284565 /nfs/dbraw/zinc/28/45/65/135284565.db2.gz YUBSBUSQOPXOPK-UYXSQOIJSA-N 1 0 200.257 0.459 10 0 BCAERO Cc1nccn1CCCN(C)C(=O)C1C[NH2+]C1 ZINC000262234980 135286007 /nfs/dbraw/zinc/28/60/07/135286007.db2.gz MWSDJKXOFCNEHK-UHFFFAOYSA-N 1 0 236.319 0.259 10 0 BCAERO CCOC[C@@H]1CCCN(C(=O)[C@@H]([NH3+])COC)C1 ZINC000262228698 135286392 /nfs/dbraw/zinc/28/63/92/135286392.db2.gz GNZDYRWUPLSCFF-MNOVXSKESA-N 1 0 244.335 0.235 10 0 BCAERO O=C1[C@H](N[C@H]2CC[NH2+]C2)CCN1c1ccccc1 ZINC000262239727 135287159 /nfs/dbraw/zinc/28/71/59/135287159.db2.gz WCGDMYQHZRWGOT-WCQYABFASA-N 1 0 245.326 0.743 10 0 BCAERO O=C1[C@H](N[C@@H]2CC[NH2+]C2)CCN1c1ccccc1 ZINC000262239725 135287223 /nfs/dbraw/zinc/28/72/23/135287223.db2.gz WCGDMYQHZRWGOT-DGCLKSJQSA-N 1 0 245.326 0.743 10 0 BCAERO C[C@H]1OCCN[C@@H]1C(=O)Nc1ccc(C[NH3+])cc1 ZINC000262249961 135288100 /nfs/dbraw/zinc/28/81/00/135288100.db2.gz LLVJVOZEXYCHNM-SKDRFNHKSA-N 1 0 249.314 0.461 10 0 BCAERO O=C(CN[C@@H]1CC[NH2+]C1)NCCc1ccccc1 ZINC000262208731 135290724 /nfs/dbraw/zinc/29/07/24/135290724.db2.gz SUTFQLFBFLXFEU-CYBMUJFWSA-N 1 0 247.342 0.297 10 0 BCAERO Cc1ccc(C(=O)NC[C@H]2C[NH2+]C[C@H]2O)c(C)c1 ZINC000262294540 135291414 /nfs/dbraw/zinc/29/14/14/135291414.db2.gz OXVZMXJYZTXQNI-DGCLKSJQSA-N 1 0 248.326 0.614 10 0 BCAERO Cc1ccc(C(=O)NC[C@@H]2C[NH2+]C[C@H]2O)c(C)c1 ZINC000262294543 135291591 /nfs/dbraw/zinc/29/15/91/135291591.db2.gz OXVZMXJYZTXQNI-WCQYABFASA-N 1 0 248.326 0.614 10 0 BCAERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)[C@H]1CC12CCCC2 ZINC000262311925 135292175 /nfs/dbraw/zinc/29/21/75/135292175.db2.gz QLJWQDDUVBVLOG-HBNTYKKESA-N 1 0 238.331 0.263 10 0 BCAERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)C1CCCCCC1 ZINC000262326314 135293186 /nfs/dbraw/zinc/29/31/86/135293186.db2.gz RUQHDPKRIMHDIJ-NWDGAFQWSA-N 1 0 240.347 0.653 10 0 BCAERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1ccc(Cl)o1 ZINC000262329095 135293235 /nfs/dbraw/zinc/29/32/35/135293235.db2.gz SDCLXQAYQZMHKX-RQJHMYQMSA-N 1 0 244.678 0.243 10 0 BCAERO COC[C@@H]([NH3+])C(=O)NCC1CCC(OC)CC1 ZINC000262353546 135294609 /nfs/dbraw/zinc/29/46/09/135294609.db2.gz UUONOQAYTYIUSI-VQXHTEKXSA-N 1 0 244.335 0.282 10 0 BCAERO Cc1cc(C)cc(C(=O)NC[C@H]2C[NH2+]C[C@@H]2O)c1 ZINC000262419687 135295830 /nfs/dbraw/zinc/29/58/30/135295830.db2.gz ZZRSMNDYSSUASP-OLZOCXBDSA-N 1 0 248.326 0.614 10 0 BCAERO O=S(=O)(CC1CCCC1)NC[C@H]1CC[NH2+]C1 ZINC000262388471 135298515 /nfs/dbraw/zinc/29/85/15/135298515.db2.gz YQLDHYSUDHYIJN-NSHDSACASA-N 1 0 246.376 0.706 10 0 BCAERO CO[C@H](CNC(=O)[C@H]1CC[C@H]([NH3+])C1)C(C)C ZINC000262456973 135300464 /nfs/dbraw/zinc/30/04/64/135300464.db2.gz UNVLYRKURQMUPT-GARJFASQSA-N 1 0 228.336 0.901 10 0 BCAERO CC(C)[C@H]1OCC[C@H]1CNC1=[NH+]CCCN1 ZINC000262552981 135305854 /nfs/dbraw/zinc/30/58/54/135305854.db2.gz ZKEHWICUZRNGRW-WDEREUQCSA-N 1 0 225.336 0.986 10 0 BCAERO CCC[C@](C)([NH3+])C(=O)N[C@@H](CCO)CSC ZINC000262576832 135306098 /nfs/dbraw/zinc/30/60/98/135306098.db2.gz OVNOLSSZVOYHNZ-ONGXEEELSA-N 1 0 248.392 0.734 10 0 BCAERO CCO[C@H]1C[C@H]1C(=O)N(C)CC(C)(C)C[NH3+] ZINC000262592407 135307291 /nfs/dbraw/zinc/30/72/91/135307291.db2.gz UQIGOQDAKDIBHZ-ZJUUUORDSA-N 1 0 228.336 0.855 10 0 BCAERO CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1c[nH]c(C(N)=O)c1 ZINC000262606615 135307752 /nfs/dbraw/zinc/30/77/52/135307752.db2.gz BPTDCYQRAFBEMA-IMTBSYHQSA-N 1 0 238.291 0.426 10 0 BCAERO CCN(C(=O)[C@H]([NH3+])COC)c1nc(C)cs1 ZINC000262622726 135309671 /nfs/dbraw/zinc/30/96/71/135309671.db2.gz ZTXNVEUKUKGKOT-MRVPVSSYSA-N 1 0 243.332 0.778 10 0 BCAERO C[C@@H]1COC[C@@H](C)N1C(=O)C[NH2+]CC1CC1 ZINC000262651956 135310923 /nfs/dbraw/zinc/31/09/23/135310923.db2.gz XGSOOKYFYZGERS-NXEZZACHSA-N 1 0 226.320 0.622 10 0 BCAERO CCC[C@@](C)([NH3+])C(=O)N(CC)CCC(=O)OC ZINC000262701786 135314309 /nfs/dbraw/zinc/31/43/09/135314309.db2.gz IYARDKSWUVFQDD-GFCCVEGCSA-N 1 0 244.335 0.916 10 0 BCAERO CC(C)[NH2+]CCN(C)CC1CC(O)C1 ZINC000084452831 135315899 /nfs/dbraw/zinc/31/58/99/135315899.db2.gz IQPZLXKKBATBRN-UHFFFAOYSA-N 1 0 200.326 0.687 10 0 BCAERO C[NH2+]CC(=O)NCC1([C@H](C)CCO)CCC1 ZINC000262755973 135317108 /nfs/dbraw/zinc/31/71/08/135317108.db2.gz PJMAMQADABCMFU-SNVBAGLBSA-N 1 0 228.336 0.511 10 0 BCAERO COc1cccc(CCNC2=[NH+]CCCN2)n1 ZINC000262757533 135317245 /nfs/dbraw/zinc/31/72/45/135317245.db2.gz PZNRYKOQVIIORZ-UHFFFAOYSA-N 1 0 234.303 0.572 10 0 BCAERO CCNC(=O)CC[N@H+](C)CC1CC(O)C1 ZINC000084453788 135318562 /nfs/dbraw/zinc/31/85/62/135318562.db2.gz XXWCBMIYFZPHPP-UHFFFAOYSA-N 1 0 214.309 0.215 10 0 BCAERO Cc1nnc2c(NC[C@@H]([NH3+])C(C)C)nccn12 ZINC000079471657 135322486 /nfs/dbraw/zinc/32/24/86/135322486.db2.gz FQYKGZYWUWPFAK-SECBINFHSA-N 1 0 234.307 0.828 10 0 BCAERO C[N@@H+](CC(=O)N1CCCC1)CC1CC(O)C1 ZINC000084454023 135322827 /nfs/dbraw/zinc/32/28/27/135322827.db2.gz WWZNSYRDOBYIPD-UHFFFAOYSA-N 1 0 226.320 0.312 10 0 BCAERO Oc1cccc(CNC[C@H]2C[NH2+]C[C@@H]2O)c1 ZINC000263174468 135337341 /nfs/dbraw/zinc/33/73/41/135337341.db2.gz GARWVZBPYGMWOH-JQWIXIFHSA-N 1 0 222.288 0.062 10 0 BCAERO Cc1ccc(CNC[C@@H]2C[NH2+]C[C@@H]2O)cn1 ZINC000263182082 135338029 /nfs/dbraw/zinc/33/80/29/135338029.db2.gz GWMKLNWEEYYIMI-NEPJUHHUSA-N 1 0 221.304 0.060 10 0 BCAERO COc1ccsc1CNC[C@H]1C[NH2+]C[C@H]1O ZINC000263200601 135339583 /nfs/dbraw/zinc/33/95/83/135339583.db2.gz IYSVHBUHDVGXGM-RKDXNWHRSA-N 1 0 242.344 0.427 10 0 BCAERO O[C@@H]1C[NH2+]C[C@H]1CNCc1cccc(F)c1 ZINC000263216206 135340419 /nfs/dbraw/zinc/34/04/19/135340419.db2.gz KXRXQEKXLPUISP-ZYHUDNBSSA-N 1 0 224.279 0.496 10 0 BCAERO O[C@H]1C[NH2+]C[C@H]1CNCc1ccc(F)c(F)c1 ZINC000263225311 135340710 /nfs/dbraw/zinc/34/07/10/135340710.db2.gz MSLMBJAKIOWNRO-SKDRFNHKSA-N 1 0 242.269 0.635 10 0 BCAERO COc1cccc(CNC[C@H]2C[NH2+]C[C@@H]2O)c1 ZINC000263224160 135340914 /nfs/dbraw/zinc/34/09/14/135340914.db2.gz MNVLKWBBGGSPTO-AAEUAGOBSA-N 1 0 236.315 0.365 10 0 BCAERO O=C(NCCOCc1ccccc1)C1C[NH2+]C1 ZINC000263228201 135341030 /nfs/dbraw/zinc/34/10/30/135341030.db2.gz AITVWKFZLIYXBZ-UHFFFAOYSA-N 1 0 234.299 0.539 10 0 BCAERO CN1CC[NH2+]C[C@@H]1c1noc([C@@H]2CCCO2)n1 ZINC000263231555 135341040 /nfs/dbraw/zinc/34/10/40/135341040.db2.gz NLJDUHHTDRRKTD-BDAKNGLRSA-N 1 0 238.291 0.497 10 0 BCAERO O[C@H]1C[NH2+]C[C@@H]1CNCc1cc(F)ccc1F ZINC000263229047 135341080 /nfs/dbraw/zinc/34/10/80/135341080.db2.gz NEBSPVJOBZDUEM-CABZTGNLSA-N 1 0 242.269 0.635 10 0 BCAERO CN1CC[NH2+]C[C@H]1c1noc([C@H]2CCCO2)n1 ZINC000263231556 135341111 /nfs/dbraw/zinc/34/11/11/135341111.db2.gz NLJDUHHTDRRKTD-DTWKUNHWSA-N 1 0 238.291 0.497 10 0 BCAERO Cn1nccc1-c1nc([C@@H]2C[NH2+]CCN2C)no1 ZINC000263229075 135341164 /nfs/dbraw/zinc/34/11/64/135341164.db2.gz NEQVMQKOJVCZAV-VIFPVBQESA-N 1 0 248.290 0.046 10 0 BCAERO O[C@H]1C[NH2+]C[C@H]1CNCc1c(F)cccc1F ZINC000263246639 135342728 /nfs/dbraw/zinc/34/27/28/135342728.db2.gz PIVJYVNCNRXSDA-PELKAZGASA-N 1 0 242.269 0.635 10 0 BCAERO CC(C)Cc1nc([C@H]2C[NH2+]CCN2C)no1 ZINC000263280370 135344114 /nfs/dbraw/zinc/34/41/14/135344114.db2.gz UDYBRXWOLQYDTG-SECBINFHSA-N 1 0 224.308 0.844 10 0 BCAERO Cc1ccc([C@H](O)CNC(=O)C2C[NH2+]C2)cc1 ZINC000263296908 135344945 /nfs/dbraw/zinc/34/49/45/135344945.db2.gz MPFJITPZUJTDSV-GFCCVEGCSA-N 1 0 234.299 0.364 10 0 BCAERO C[C@H](C[C@@H](O)c1ccccc1)NC(=O)C1C[NH2+]C1 ZINC000263321323 135346800 /nfs/dbraw/zinc/34/68/00/135346800.db2.gz RMMOUQYQYWJPMO-ZWNOBZJWSA-N 1 0 248.326 0.834 10 0 BCAERO CC(C)[C@H]1OCC[C@@H]1CNC(=O)C1C[NH2+]C1 ZINC000263348272 135348181 /nfs/dbraw/zinc/34/81/81/135348181.db2.gz ZUXZBKICCFDUMD-MWLCHTKSSA-N 1 0 226.320 0.383 10 0 BCAERO CCCN(c1nccn2cnnc12)[C@@H]1CC[NH2+]C1 ZINC000079471438 135397077 /nfs/dbraw/zinc/39/70/77/135397077.db2.gz BVCBDKKZIYHYED-SNVBAGLBSA-N 1 0 246.318 0.703 10 0 BCAERO CCC[NH2+]CCNc1nccn2c(C)nnc12 ZINC000079471173 135397349 /nfs/dbraw/zinc/39/73/49/135397349.db2.gz DHWAVEIHRSUCDF-UHFFFAOYSA-N 1 0 234.307 0.844 10 0 BCAERO [NH3+][C@H]1CCC[C@@H]1C(=O)NCC(F)(F)F ZINC000082920293 135442263 /nfs/dbraw/zinc/44/22/63/135442263.db2.gz YFNVOYIZBPIWQV-WDSKDSINSA-N 1 0 210.199 0.792 10 0 BCAERO COC1CCN(C(=O)[C@H]2CCC[C@@H]2[NH3+])CC1 ZINC000082920582 135442444 /nfs/dbraw/zinc/44/24/44/135442444.db2.gz DWAKLMYTNPNZSM-QWRGUYRKSA-N 1 0 226.320 0.751 10 0 BCAERO Cc1cc(C(=O)N[C@H]2CCC[C@H]2C[NH3+])[nH]n1 ZINC000084212578 135466273 /nfs/dbraw/zinc/46/62/73/135466273.db2.gz ZQNBIKCOBZLBHC-IUCAKERBSA-N 1 0 222.292 0.575 10 0 BCAERO Cn1ccc(NC(=O)[C@H]2CCC[C@H]2[NH3+])n1 ZINC000084856362 135476738 /nfs/dbraw/zinc/47/67/38/135476738.db2.gz JAPAZLFYBZUTNH-JGVFFNPUSA-N 1 0 208.265 0.486 10 0 BCAERO [NH3+][C@H]1CC[C@@H](C(=O)N2CCSCC2)C1 ZINC000085009597 135477749 /nfs/dbraw/zinc/47/77/49/135477749.db2.gz XKPPECRRLCYGKD-BDAKNGLRSA-N 1 0 214.334 0.689 10 0 BCAERO COC(=O)CCCNC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000085011826 135477908 /nfs/dbraw/zinc/47/79/08/135477908.db2.gz YNHMMXNUTSHDEL-IUCAKERBSA-N 1 0 228.292 0.183 10 0 BCAERO CC[C@@H]1CN(C(=O)[C@H]2CC[C@H]([NH3+])C2)CCO1 ZINC000085010503 135478248 /nfs/dbraw/zinc/47/82/48/135478248.db2.gz IECRTAHULPSFMP-GARJFASQSA-N 1 0 226.320 0.751 10 0 BCAERO CC(C)NC(=O)CN(C)C(=O)[C@H]1CCC[C@@H]1[NH3+] ZINC000085367145 135483068 /nfs/dbraw/zinc/48/30/68/135483068.db2.gz ANPJIIMSBUCQTL-UWVGGRQHSA-N 1 0 241.335 0.097 10 0 BCAERO C[NH2+]CCN(C)c1ncncc1Br ZINC000085465045 135485464 /nfs/dbraw/zinc/48/54/64/135485464.db2.gz ZGMZVBAVJRFQHS-UHFFFAOYSA-N 1 0 245.124 0.895 10 0 BCAERO C[C@H]1NC(=O)CC[C@H]1[NH2+]CCc1cnn(C)c1 ZINC000348347666 135485897 /nfs/dbraw/zinc/48/58/97/135485897.db2.gz KSAHYNXIGJXLKF-MWLCHTKSSA-N 1 0 236.319 0.219 10 0 BCAERO COc1ccc(CN[C@H]2CC[NH2+]C2)cn1 ZINC000086725570 135494744 /nfs/dbraw/zinc/49/47/44/135494744.db2.gz RQPZJNICYYMYOE-JTQLQIEISA-N 1 0 207.277 0.542 10 0 BCAERO C[C@@H](CCC[NH3+])Nc1ncnc2nc[nH]c21 ZINC000087362317 135505409 /nfs/dbraw/zinc/50/54/09/135505409.db2.gz TYOVKBRMSNBTEB-ZETCQYMHSA-N 1 0 220.280 0.892 10 0 BCAERO O=C(Cc1ccc(F)c(F)c1)NC1C[NH2+]C1 ZINC000087446510 135507279 /nfs/dbraw/zinc/50/72/79/135507279.db2.gz XWHFKCXJGSQDPF-UHFFFAOYSA-N 1 0 226.226 0.595 10 0 BCAERO [NH3+]C[C@H]1CCC[C@@H]1Nc1nccn2cnnc12 ZINC000089105830 135529417 /nfs/dbraw/zinc/52/94/17/135529417.db2.gz OWJCJCFPOHVFPI-BDAKNGLRSA-N 1 0 232.291 0.664 10 0 BCAERO C[C@H]1[NH2+]CCC[C@H]1NC(=O)COCC1CC1 ZINC000193535091 135594581 /nfs/dbraw/zinc/59/45/81/135594581.db2.gz MELBVQFHAVXPQD-MWLCHTKSSA-N 1 0 226.320 0.670 10 0 BCAERO C[C@@H]1OCC[C@@H]1NC(=O)N(C)C1CC([NH3+])C1 ZINC000334953931 135849384 /nfs/dbraw/zinc/84/93/84/135849384.db2.gz WINJEVXPYNQHTC-NFTFJBJSSA-N 1 0 227.308 0.295 10 0 BCAERO CC(C)S(=O)(=O)CCC[NH2+][C@H]1CCO[C@@H]1C ZINC000348117670 136032460 /nfs/dbraw/zinc/03/24/60/136032460.db2.gz MXMXZWKYLGZBRA-MNOVXSKESA-N 1 0 249.376 0.967 10 0 BCAERO CN(C)[C@@H]1CCC[N@H+](CC2(O)CCC2)C1 ZINC000335557902 136100148 /nfs/dbraw/zinc/10/01/48/136100148.db2.gz OHHQGNKQKUIPMR-LLVKDONJSA-N 1 0 212.337 0.927 10 0 BCAERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)N(C)Cc1cc[nH]n1 ZINC000335588961 136102678 /nfs/dbraw/zinc/10/26/78/136102678.db2.gz ALWSJHYCGJWQIY-GXSJLCMTSA-N 1 0 236.319 0.756 10 0 BCAERO C(NC1C[NH2+]C1)[C@H]1CSCCS1 ZINC000229585837 397766646 /nfs/dbraw/zinc/76/66/46/397766646.db2.gz JULFGJWLMCXDPN-QMMMGPOBSA-N 1 0 204.364 0.396 10 0 BCAERO COC[C@H](C)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000103534153 397780647 /nfs/dbraw/zinc/78/06/47/397780647.db2.gz ZNENDTCKAMAMNV-QWRGUYRKSA-N 1 0 240.347 0.869 10 0 BCAERO CCc1ccc(Cn2cc(C[NH3+])nn2)nc1 ZINC000382292760 397931699 /nfs/dbraw/zinc/93/16/99/397931699.db2.gz RHDLFOHHSAVUGP-UHFFFAOYSA-N 1 0 217.276 0.743 10 0 BCAERO CN1CCC[C@H]1C[N@@H+]1CCSC[C@@H]1CCO ZINC000649551191 397945594 /nfs/dbraw/zinc/94/55/94/397945594.db2.gz PPEKMOCKQMAXHQ-RYUDHWBXSA-N 1 0 244.404 0.880 10 0 BCAERO C[C@@H]1SCC[C@@H]1[NH2+][C@@H]1CCNC1=O ZINC000575463730 397946944 /nfs/dbraw/zinc/94/69/44/397946944.db2.gz UJDGUOBYBLSKFT-BIIVOSGPSA-N 1 0 200.307 0.359 10 0 BCAERO [NH3+][C@@H]1CCO[C@@H]1[C@H](O)c1cnsc1 ZINC000575464587 397950182 /nfs/dbraw/zinc/95/01/82/397950182.db2.gz QOUWOYHCZKPRPQ-PRJMDXOYSA-N 1 0 200.263 0.293 10 0 BCAERO C[C@H]1OCC[C@]1(C[NH3+])N1CCSCC1 ZINC000134405437 397951455 /nfs/dbraw/zinc/95/14/55/397951455.db2.gz BPPICVYOSSFUFD-NXEZZACHSA-N 1 0 216.350 0.542 10 0 BCAERO CS[C@@H]1C[NH2+]C[C@@H]1N1CC[C@H](F)C1 ZINC000575472203 397954726 /nfs/dbraw/zinc/95/47/26/397954726.db2.gz JFYPWLAUBJDJBS-XHNCKOQMSA-N 1 0 204.314 0.734 10 0 BCAERO Cc1cc(=NC(=O)CC[C@H]2CCC[NH2+]2)[nH][nH]1 ZINC000390525910 397894992 /nfs/dbraw/zinc/89/49/92/397894992.db2.gz GSWSMIWNLSTOPI-SECBINFHSA-N 1 0 222.292 0.611 10 0 BCAERO CC(=O)[C@H]1CN(CC[NH3+])c2ccccc2N1 ZINC000616683931 397925947 /nfs/dbraw/zinc/92/59/47/397925947.db2.gz JXXJSZBKPHRMFZ-LLVKDONJSA-N 1 0 219.288 0.835 10 0 BCAERO C[C@H]1CSC[C@@H]1NC(=O)C1C[NH2+]C1 ZINC000307173931 398003866 /nfs/dbraw/zinc/00/38/66/398003866.db2.gz PPPRJCZWVFBIFA-XPUUQOCRSA-N 1 0 200.307 0.074 10 0 BCAERO C[C@@H]1CSC[C@@H]1NC(=O)C1C[NH2+]C1 ZINC000307173929 398003981 /nfs/dbraw/zinc/00/39/81/398003981.db2.gz PPPRJCZWVFBIFA-SVRRBLITSA-N 1 0 200.307 0.074 10 0 BCAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)C1CC(F)(F)C1 ZINC000383450525 398020256 /nfs/dbraw/zinc/02/02/56/398020256.db2.gz MDLFZFBYAZSQCO-HTRCEHHLSA-N 1 0 218.247 0.980 10 0 BCAERO C[C@H](c1ccncc1)N(C)[C@H]1C[NH2+]C[C@@H]1O ZINC000383887780 398048005 /nfs/dbraw/zinc/04/80/05/398048005.db2.gz XZFJLBSQNCRLPP-USWWRNFRSA-N 1 0 221.304 0.407 10 0 BCAERO CC[N@@H+]1CC[C@@H](NC(=O)CCCCO)C1 ZINC000389142429 398036747 /nfs/dbraw/zinc/03/67/47/398036747.db2.gz HMWSSJSFMBQBQM-SNVBAGLBSA-N 1 0 214.309 0.359 10 0 BCAERO COc1cc([C@@H]2OCC[C@H]2[NH3+])sn1 ZINC000307122486 397982371 /nfs/dbraw/zinc/98/23/71/397982371.db2.gz LYBDCIGCAUBZNT-SVGQVSJJSA-N 1 0 200.263 0.940 10 0 BCAERO CCC[C@H](NC(=O)[C@H]1CCC[NH2+][C@@H]1C)C(N)=O ZINC000384488092 398093347 /nfs/dbraw/zinc/09/33/47/398093347.db2.gz RWYDQZBFOWSJEG-UTLUCORTSA-N 1 0 241.335 0.145 10 0 BCAERO C[NH2+]Cc1cn(C[C@@H](O)C(C)(C)C)nn1 ZINC000389361505 398078487 /nfs/dbraw/zinc/07/84/87/398078487.db2.gz DXFMAQPUUYPDMP-SECBINFHSA-N 1 0 212.297 0.405 10 0 BCAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N[C@H]1CCC[C@H](O)C1 ZINC000384293205 398081363 /nfs/dbraw/zinc/08/13/63/398081363.db2.gz WNDJCBPMPZSAQC-BJDJZHNGSA-N 1 0 240.347 0.794 10 0 BCAERO Cc1nccc(CNC(=O)[C@H]2CCC[NH2+][C@@H]2C)n1 ZINC000384365064 398083654 /nfs/dbraw/zinc/08/36/54/398083654.db2.gz GSEQIESMOGBGBL-SKDRFNHKSA-N 1 0 248.330 0.789 10 0 BCAERO CC(C)CC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000116784648 398089751 /nfs/dbraw/zinc/08/97/51/398089751.db2.gz OBISOJMOJPRGKR-LLVKDONJSA-N 1 0 228.336 0.822 10 0 BCAERO CCCCC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000116785945 398090123 /nfs/dbraw/zinc/09/01/23/398090123.db2.gz CKJGDHUXOTVIAS-NSHDSACASA-N 1 0 228.336 0.966 10 0 BCAERO CC[C@H]([NH2+]C[C@H]1CNC(=O)O1)[C@@H]1CCCO1 ZINC000310037414 398052803 /nfs/dbraw/zinc/05/28/03/398052803.db2.gz VCIWSRYTDGNSBQ-GUBZILKMSA-N 1 0 228.292 0.642 10 0 BCAERO C[C@@H]1C[C@H](NC(=O)C2([NH3+])CCOCC2)[C@H](C)O1 ZINC000384906615 398116312 /nfs/dbraw/zinc/11/63/12/398116312.db2.gz ODRYJEGFFWHZBV-UTLUCORTSA-N 1 0 242.319 0.176 10 0 BCAERO CC[N@@H+]1CC[C@@H](NC(=O)c2ncccc2N)C1 ZINC000389641439 398117505 /nfs/dbraw/zinc/11/75/05/398117505.db2.gz LEHRQUAHIKMOHD-SECBINFHSA-N 1 0 234.303 0.488 10 0 BCAERO CCN1CCO[C@H](C[NH2+][C@@H]2C[C@H](C)O[C@H]2C)C1 ZINC000384946120 398119093 /nfs/dbraw/zinc/11/90/93/398119093.db2.gz RAKVIEYLAPIJOE-WUHRBBMRSA-N 1 0 242.363 0.863 10 0 BCAERO Cn1cc(CC[NH2+]C[C@@H](O)C(C)(C)C)cn1 ZINC000304297513 398114721 /nfs/dbraw/zinc/11/47/21/398114721.db2.gz ZVJXSBJWXBWCNG-LLVKDONJSA-N 1 0 225.336 0.959 10 0 BCAERO Cn1cc(CC[NH2+]C[C@H](O)C(C)(C)C)cn1 ZINC000304297514 398115139 /nfs/dbraw/zinc/11/51/39/398115139.db2.gz ZVJXSBJWXBWCNG-NSHDSACASA-N 1 0 225.336 0.959 10 0 BCAERO O=C(Nc1cccnc1)[C@H]1C[NH2+]CCOC1 ZINC000649275528 398133520 /nfs/dbraw/zinc/13/35/20/398133520.db2.gz HPMIOIDOUVNWPJ-VIFPVBQESA-N 1 0 221.260 0.256 10 0 BCAERO Cc1ccnc(NC(=O)[C@@H]2C[NH2+]CCOC2)c1 ZINC000649275490 398133816 /nfs/dbraw/zinc/13/38/16/398133816.db2.gz DFHMHQMVYAQDRD-SNVBAGLBSA-N 1 0 235.287 0.565 10 0 BCAERO CC(C)NC(=O)C[NH2+][C@@H]1CCCC[C@@H]1O ZINC000037691530 167057704 /nfs/dbraw/zinc/05/77/04/167057704.db2.gz BDLXAKJXIVJCRD-ZJUUUORDSA-N 1 0 214.309 0.404 10 0 BCAERO CC(C)NC(=O)C[NH2+][C@@H]1CCC[C@H]1O ZINC000037690207 167057521 /nfs/dbraw/zinc/05/75/21/167057521.db2.gz SSAOTRSXDGFTHQ-RKDXNWHRSA-N 1 0 200.282 0.014 10 0 BCAERO CC(C)NC(=O)CN[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000049565378 167060146 /nfs/dbraw/zinc/06/01/46/167060146.db2.gz AZHQXZRKYTVRPR-NWDGAFQWSA-N 1 0 239.363 0.727 10 0 BCAERO COCCC[N@@H+]1C[C@@H](OC)C[C@@H]1CO ZINC000308594257 174235725 /nfs/dbraw/zinc/23/57/25/174235725.db2.gz XNXLOVUEOLDOKU-ZJUUUORDSA-N 1 0 203.282 0.105 10 0 BCAERO CC(C)[NH2+]CC1CCN(c2nnnn2C)CC1 ZINC000062939645 167099057 /nfs/dbraw/zinc/09/90/57/167099057.db2.gz QNGSZVYKZQBVCA-UHFFFAOYSA-N 1 0 238.339 0.425 10 0 BCAERO CC(C)[NH2+]CCC(=O)NCc1cn[nH]c1 ZINC000038006672 167100590 /nfs/dbraw/zinc/10/05/90/167100590.db2.gz HIZNSNMLCAIZGD-UHFFFAOYSA-N 1 0 210.281 0.414 10 0 BCAERO O=C(NC[C@@H]1CC[NH2+]C1)NC[C@@H]1CCCS1 ZINC000258278760 322874611 /nfs/dbraw/zinc/87/46/11/322874611.db2.gz BQVJLZWOSFGFSV-ZJUUUORDSA-N 1 0 243.376 0.791 10 0 BCAERO CC(C)[NH2+]C[C@H](O)c1ccc(O)c(CO)c1 ZINC000026015653 167115521 /nfs/dbraw/zinc/11/55/21/167115521.db2.gz NUXIPOBJYISIHW-LBPRGKRZSA-N 1 0 225.288 0.916 10 0 BCAERO CC(C)[NH2+][C@](C)(C(N)=O)c1cccnc1 ZINC000037446534 167142017 /nfs/dbraw/zinc/14/20/17/167142017.db2.gz IZDPZHHMAOVRSE-NSHDSACASA-N 1 0 207.277 0.780 10 0 BCAERO [NH3+]C[C@@H]1CN(c2ncnc3c2CCCC3)CCO1 ZINC000094871670 487560812 /nfs/dbraw/zinc/56/08/12/487560812.db2.gz YGTSGDNRHVFSET-SNVBAGLBSA-N 1 0 248.330 0.519 10 0 BCAERO CCCCOC[C@@H](O)C[NH2+]CC[C@@H](C)O ZINC000227893409 487562603 /nfs/dbraw/zinc/56/26/03/487562603.db2.gz BDGLLJNDHRVGHS-MNOVXSKESA-N 1 0 219.325 0.525 10 0 BCAERO CCCCOC[C@@H](O)C[NH2+]C[C@H]1CCOC1 ZINC000227889748 487562722 /nfs/dbraw/zinc/56/27/22/487562722.db2.gz YCULYVKETOZDGV-NEPJUHHUSA-N 1 0 231.336 0.790 10 0 BCAERO CCCCOC[C@@H](O)C[NH2+]CC1CC(O)C1 ZINC000227893964 487562746 /nfs/dbraw/zinc/56/27/46/487562746.db2.gz ATZQCRRUBHRVQP-MCIGGMRASA-N 1 0 231.336 0.525 10 0 BCAERO CC(C)OCCC(=O)N1CCC[C@H]1C[NH3+] ZINC000236787343 167197205 /nfs/dbraw/zinc/19/72/05/167197205.db2.gz ILLPHYRBVZDWLT-JTQLQIEISA-N 1 0 214.309 0.751 10 0 BCAERO [NH3+]C1(CC(=O)NC[C@@H]2CCC[C@@H]2O)CCC1 ZINC000086853747 487570990 /nfs/dbraw/zinc/57/09/90/487570990.db2.gz QMQITZSBVNWUIP-UWVGGRQHSA-N 1 0 226.320 0.535 10 0 BCAERO CC(C)([NH3+])CC(=O)NC[C@@H](O)C(C)(C)C ZINC000324319916 487574212 /nfs/dbraw/zinc/57/42/12/487574212.db2.gz HGZCDUJZAXTFJM-MRVPVSSYSA-N 1 0 216.325 0.637 10 0 BCAERO CO[C@H]1C[NH2+][C@@H](C(=O)N(C)CC(F)(F)F)C1 ZINC000040633846 322906217 /nfs/dbraw/zinc/90/62/17/322906217.db2.gz RDZIFDVUDNEWOM-RNFRBKRXSA-N 1 0 240.225 0.384 10 0 BCAERO C[C@]1(O)CC[N@H+](C[C@H]2CCC[C@@H](O)C2)C1 ZINC000308917836 487582062 /nfs/dbraw/zinc/58/20/62/487582062.db2.gz ODSXKPCLFSZQEH-TUAOUCFPSA-N 1 0 213.321 0.994 10 0 BCAERO C[NH+](C)[C@H]1CCN(C(=O)Cc2cscn2)C1 ZINC000082283508 487587660 /nfs/dbraw/zinc/58/76/60/487587660.db2.gz GFSOKUSVAFSLGJ-JTQLQIEISA-N 1 0 239.344 0.848 10 0 BCAERO CC(C)(C)[C@@H](O)CNC(=O)[C@H]1CC[NH2+]C1 ZINC000324385231 487592443 /nfs/dbraw/zinc/59/24/43/487592443.db2.gz XOWOUMREKMDSKC-IUCAKERBSA-N 1 0 214.309 0.119 10 0 BCAERO CC(C)S(=O)(=O)CCN1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000226422230 167316759 /nfs/dbraw/zinc/31/67/59/167316759.db2.gz GIXQTGFVOMJVBB-WDEREUQCSA-N 1 0 248.392 0.479 10 0 BCAERO CC(C)S(=O)(=O)CCN1CC[NH2+]C[C@@H]1C ZINC000226419152 167317403 /nfs/dbraw/zinc/31/74/03/167317403.db2.gz RCUUMFCEQPFZOE-JTQLQIEISA-N 1 0 234.365 0.103 10 0 BCAERO CC(C)S(=O)(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000044528958 167319458 /nfs/dbraw/zinc/31/94/58/167319458.db2.gz OLQUITZKCHBYTQ-VIFPVBQESA-N 1 0 220.338 0.395 10 0 BCAERO CC(C)S(=O)(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000037657316 167318948 /nfs/dbraw/zinc/31/89/48/167318948.db2.gz NBFJNMLRUUFKJQ-MRVPVSSYSA-N 1 0 206.311 0.018 10 0 BCAERO CC(C)S(=O)(=O)NC[C@H]1CC[C@H](C)[NH2+]C1 ZINC000062037523 167319845 /nfs/dbraw/zinc/31/98/45/167319845.db2.gz NYGUNGGFZNTDQF-UWVGGRQHSA-N 1 0 234.365 0.702 10 0 BCAERO CC(C)S(=O)(=O)NC[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000062037525 167319936 /nfs/dbraw/zinc/31/99/36/167319936.db2.gz NYGUNGGFZNTDQF-VHSXEESVSA-N 1 0 234.365 0.702 10 0 BCAERO CC(C)S(=O)(=O)NCC1([NH3+])CCCCC1 ZINC000037657691 167319538 /nfs/dbraw/zinc/31/95/38/167319538.db2.gz IXBSCNZNDKVWBO-UHFFFAOYSA-N 1 0 234.365 0.976 10 0 BCAERO CC(C)S(=O)(=O)NC[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000062037524 167319650 /nfs/dbraw/zinc/31/96/50/167319650.db2.gz NYGUNGGFZNTDQF-NXEZZACHSA-N 1 0 234.365 0.702 10 0 BCAERO CC(C)SCC[N@@H+]1C[C@H](O)C[C@@H]1CO ZINC000374916263 167327880 /nfs/dbraw/zinc/32/78/80/167327880.db2.gz PYZCOLAHEGFPBA-NXEZZACHSA-N 1 0 219.350 0.556 10 0 BCAERO Cc1nocc1CN1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000662283021 409606568 /nfs/dbraw/zinc/60/65/68/409606568.db2.gz ZOFZPYPXEDTUMY-WDEREUQCSA-N 1 0 223.276 0.156 10 0 BCAERO CO[C@@H](C(=O)NCC[C@@H](C)[NH3+])C1CCC1 ZINC000662408562 409701416 /nfs/dbraw/zinc/70/14/16/409701416.db2.gz VJSFMYNRLIFHDU-PSASIEDQSA-N 1 0 214.309 0.655 10 0 BCAERO C[C@H](O)C[N@H+](CCO)C[C@H]1CCC[C@H](O)C1 ZINC000309776314 487610308 /nfs/dbraw/zinc/61/03/08/487610308.db2.gz PVKLYPUTJWMJMJ-SRVKXCTJSA-N 1 0 231.336 0.213 10 0 BCAERO CC[C@@H]([NH2+]C)C(=O)NCC[C@@H]1CCCO1 ZINC000662372107 409680021 /nfs/dbraw/zinc/68/00/21/409680021.db2.gz TYBUZKAXCNJIJL-VHSXEESVSA-N 1 0 214.309 0.670 10 0 BCAERO COC[C@H]([NH3+])C(=O)N1CCC[C@@H](CCF)C1 ZINC000662687581 409834321 /nfs/dbraw/zinc/83/43/21/409834321.db2.gz HKAHMQRQLJCOAK-UWVGGRQHSA-N 1 0 232.299 0.558 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)N2CCC(C)([NH3+])CC2)O1 ZINC000653132989 409850382 /nfs/dbraw/zinc/85/03/82/409850382.db2.gz QKCGHTRNFISTMB-NXEZZACHSA-N 1 0 226.320 0.894 10 0 BCAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)[C@@H]1CC=CCC1 ZINC000653138778 409861602 /nfs/dbraw/zinc/86/16/02/409861602.db2.gz JRUOHKQIRGQHOZ-VWYCJHECSA-N 1 0 224.304 0.039 10 0 BCAERO [NH3+][C@@H]1CCC[C@H](C(=O)N[C@@H](CO)C2CCC2)C1 ZINC000662848728 409952430 /nfs/dbraw/zinc/95/24/30/409952430.db2.gz GIPVCFGCQBAENL-TUAOUCFPSA-N 1 0 240.347 0.781 10 0 BCAERO [NH3+]Cc1cn(CCOCc2ccccc2)nn1 ZINC000052601256 409960838 /nfs/dbraw/zinc/96/08/38/409960838.db2.gz RRKAIRGZUDSTKF-UHFFFAOYSA-N 1 0 232.287 0.954 10 0 BCAERO CC(F)(F)CNC(=O)C1([NH3+])CCOCC1 ZINC000662897498 409971029 /nfs/dbraw/zinc/97/10/29/409971029.db2.gz HUYLQGLGNMOJOX-UHFFFAOYSA-N 1 0 222.235 0.266 10 0 BCAERO OCC[N@H+](C[C@H]1CCC[C@@H](O)C1)C1CC1 ZINC000308925165 409936562 /nfs/dbraw/zinc/93/65/62/409936562.db2.gz PWQYEYADYQUGNF-CMPLNLGQSA-N 1 0 213.321 0.994 10 0 BCAERO C[C@@H]1SCC[C@H]1NC(=O)[C@H]1CCC[NH2+]C1 ZINC000308909415 409936885 /nfs/dbraw/zinc/93/68/85/409936885.db2.gz FOUDGWXLHJODOQ-LPEHRKFASA-N 1 0 228.361 0.996 10 0 BCAERO CC(C)[C@H](O)Cn1cc(C(C)(C)[NH3+])nn1 ZINC000300887226 487611717 /nfs/dbraw/zinc/61/17/17/487611717.db2.gz NVJRJHNAWGIPSD-MRVPVSSYSA-N 1 0 212.297 0.489 10 0 BCAERO CC1(CNC(=O)[C@@H]2C[NH2+]CCOC2)CC1 ZINC000643713298 410029330 /nfs/dbraw/zinc/02/93/30/410029330.db2.gz PTKYYKAZRGWEAN-SECBINFHSA-N 1 0 212.293 0.139 10 0 BCAERO CO[C@H]1C[NH2+][C@@H](C(=O)NCC(C)(C)C)C1 ZINC000040637241 410076350 /nfs/dbraw/zinc/07/63/50/410076350.db2.gz SJLUTPHGUSARJN-RKDXNWHRSA-N 1 0 214.309 0.526 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)NCC(F)F ZINC000133737423 410105776 /nfs/dbraw/zinc/10/57/76/410105776.db2.gz QTFFENQHCLUAGV-NKWVEPMBSA-N 1 0 206.236 0.743 10 0 BCAERO Cc1nnsc1C(=O)N1CC[C@@H]([NH3+])[C@@H]1C ZINC000309066466 410215100 /nfs/dbraw/zinc/21/51/00/410215100.db2.gz ZUBVCCYXEWHCCE-NKWVEPMBSA-N 1 0 226.305 0.408 10 0 BCAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)[C@@H]1CCCCO1 ZINC000309058263 410210300 /nfs/dbraw/zinc/21/03/00/410210300.db2.gz UODNVQUKEHEFQH-UTLUCORTSA-N 1 0 212.293 0.504 10 0 BCAERO Nc1cc[nH+]cc1C(=O)NCC[C@H]1CCCO1 ZINC000127508826 410332602 /nfs/dbraw/zinc/33/26/02/410332602.db2.gz VLKGFQDYGSGMQX-SECBINFHSA-N 1 0 235.287 0.963 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)NCCc1ncc[nH]1 ZINC000125145282 410313918 /nfs/dbraw/zinc/31/39/18/410313918.db2.gz VXZAFNIGBHSKAE-SECBINFHSA-N 1 0 224.308 0.442 10 0 BCAERO CCN(CC[NH3+])c1ccc2nccnc2n1 ZINC000087202507 487616496 /nfs/dbraw/zinc/61/64/96/487616496.db2.gz KMZDGWBNFHNFHM-UHFFFAOYSA-N 1 0 217.276 0.810 10 0 BCAERO CCN(CC)C(=O)[C@@H]1C[C@H](OC)C[NH2+]1 ZINC000040629359 169756575 /nfs/dbraw/zinc/75/65/75/169756575.db2.gz KHHOFVHVRRHZND-IUCAKERBSA-N 1 0 200.282 0.232 10 0 BCAERO CC[C@H](C)NC(=O)Cn1cc(C(C)(C)[NH3+])nn1 ZINC000070118099 410665118 /nfs/dbraw/zinc/66/51/18/410665118.db2.gz ZSTXNTITIADIGI-QMMMGPOBSA-N 1 0 239.323 0.387 10 0 BCAERO C[C@H]1OCC[C@H]1[NH2+]Cc1ccn(C)c(=O)c1 ZINC000393271367 410671692 /nfs/dbraw/zinc/67/16/92/410671692.db2.gz HKJDSYAJDHRYEG-MWLCHTKSSA-N 1 0 222.288 0.652 10 0 BCAERO COc1cc(OC)nc(N[C@H](C)[C@H](C)[NH3+])n1 ZINC000381629594 410625116 /nfs/dbraw/zinc/62/51/16/410625116.db2.gz UZVXSXKHFPKXPW-NKWVEPMBSA-N 1 0 226.280 0.641 10 0 BCAERO CC(C)(C)CNS(=O)(=O)C1CC[NH2+]CC1 ZINC000049644322 166590312 /nfs/dbraw/zinc/59/03/12/166590312.db2.gz YURULACIIYDWGY-UHFFFAOYSA-N 1 0 234.365 0.704 10 0 BCAERO CC(C)(C)NS(=O)(=O)C[C@@H]1CCC[NH2+]C1 ZINC000049631895 166637379 /nfs/dbraw/zinc/63/73/79/166637379.db2.gz HDYYPNFYXCLKOD-SECBINFHSA-N 1 0 234.365 0.704 10 0 BCAERO Cc1cc(C(=O)N2CC[C@@H]([NH3+])[C@H]2C)n(C)n1 ZINC000309265219 410692191 /nfs/dbraw/zinc/69/21/91/410692191.db2.gz FDIDAUNRUCKDBP-RKDXNWHRSA-N 1 0 222.292 0.290 10 0 BCAERO CCOc1nccnc1N[C@@H]1CCC[NH2+][C@H]1C ZINC000643035043 410695207 /nfs/dbraw/zinc/69/52/07/410695207.db2.gz QXRJAKYYHKNEIV-VHSXEESVSA-N 1 0 236.319 1.428 10 0 BCAERO CC(C)(C)OC(=O)[C@@H]1C[C@H](O)[C@H](C[NH3+])C1 ZINC000238856354 166671635 /nfs/dbraw/zinc/67/16/35/166671635.db2.gz VTFJLPVDBYVBKB-CIUDSAMLSA-N 1 0 215.293 0.674 10 0 BCAERO CC(C)(C)OC(=O)[C@]1(CO)CCC[C@@H]1[NH3+] ZINC000095934690 166673231 /nfs/dbraw/zinc/67/32/31/166673231.db2.gz XDJLQDPMPAXPCD-KWQFWETISA-N 1 0 215.293 0.818 10 0 BCAERO CC(C)(C)OC[C@@H](O)C[NH2+]C[C@H]1COCCO1 ZINC000038061679 166683660 /nfs/dbraw/zinc/68/36/60/166683660.db2.gz WHHMHXOSNQQSMW-QWRGUYRKSA-N 1 0 247.335 0.167 10 0 BCAERO C[NH2+][C@H](C)C(=O)NCCc1ncc(C)cc1C ZINC000655489320 410797975 /nfs/dbraw/zinc/79/79/75/410797975.db2.gz XWFLMYICOGCJMH-LLVKDONJSA-N 1 0 235.331 0.965 10 0 BCAERO CC[NH+](CC)CCCNCC(=O)NC(C)C ZINC000020052100 169774085 /nfs/dbraw/zinc/77/40/85/169774085.db2.gz WXOULBJCYIOOFA-UHFFFAOYSA-N 1 0 229.368 0.833 10 0 BCAERO COc1nccc(C[NH2+][C@H]2CCC[C@@H](O)C2)n1 ZINC000395231044 410841880 /nfs/dbraw/zinc/84/18/80/410841880.db2.gz PVDVANLBCZNMOE-GXSJLCMTSA-N 1 0 237.303 0.878 10 0 BCAERO Cc1cc(CNC(=O)[C@H]2CCC[NH2+][C@H]2C)no1 ZINC000395317991 410843975 /nfs/dbraw/zinc/84/39/75/410843975.db2.gz ZJTOLLYPOORAFZ-ONGXEEELSA-N 1 0 237.303 0.987 10 0 BCAERO Cc1cnc(NCCC2(C[NH3+])CC2)nc1 ZINC000395895560 410865536 /nfs/dbraw/zinc/86/55/36/410865536.db2.gz JJCMHZOFQLXJNT-UHFFFAOYSA-N 1 0 206.293 0.748 10 0 BCAERO Cc1cc(NCCC2(C[NH3+])CC2)ncn1 ZINC000395921862 410869067 /nfs/dbraw/zinc/86/90/67/410869067.db2.gz YDCNBVSTHCACAR-UHFFFAOYSA-N 1 0 206.293 0.748 10 0 BCAERO CO[C@H]1C[NH2+][C@@H](C(=O)NCCC(C)C)C1 ZINC000040630236 410883693 /nfs/dbraw/zinc/88/36/93/410883693.db2.gz KMXXGSKQQNOBEP-NXEZZACHSA-N 1 0 214.309 0.526 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)N1CCc2n[nH]nc2C1 ZINC000396871629 410903637 /nfs/dbraw/zinc/90/36/37/410903637.db2.gz JNHZVJZVOVGMME-DTWKUNHWSA-N 1 0 249.318 0.064 10 0 BCAERO CC(C)C[NH2+]C[C@H](C)N1CCOCC1 ZINC000047848602 167006287 /nfs/dbraw/zinc/00/62/87/167006287.db2.gz VJARXUCUNUUXGV-NSHDSACASA-N 1 0 200.326 0.953 10 0 BCAERO CC(C)N1CC[C@H]([NH2+][C@@H]2CCN(C)C2)C1 ZINC000045655536 167024899 /nfs/dbraw/zinc/02/48/99/167024899.db2.gz SESDTYKJSOGAML-NEPJUHHUSA-N 1 0 211.353 0.763 10 0 BCAERO CC(C)N1CC[C@H]([N@@H+]2CC[C@H](CCO)C2)C1=O ZINC000336698226 167025608 /nfs/dbraw/zinc/02/56/08/167025608.db2.gz KIZZXLDEZVMKJS-NEPJUHHUSA-N 1 0 240.347 0.700 10 0 BCAERO CC(C)NC(=O)CCNC(=O)[C@H]1CCC[C@H]1[NH3+] ZINC000135251437 167042031 /nfs/dbraw/zinc/04/20/31/167042031.db2.gz PDKKIZQBWHXWFO-VHSXEESVSA-N 1 0 241.335 0.145 10 0 BCAERO CC(C)NC(=O)CN(C)[C@H]1CCCC[C@@H]1[NH3+] ZINC000042609848 167048138 /nfs/dbraw/zinc/04/81/38/167048138.db2.gz FUFLKEYNOLVQOT-QWRGUYRKSA-N 1 0 227.352 0.713 10 0 BCAERO CC[NH+](CC)CCNC(=O)n1ccnc1 ZINC000032628577 169779761 /nfs/dbraw/zinc/77/97/61/169779761.db2.gz IUTVTBCNSFPILL-UHFFFAOYSA-N 1 0 210.281 0.783 10 0 BCAERO CC(C)NC(=O)C[NH2+][C@@H]1CCCCC[C@H]1O ZINC000037892473 167058995 /nfs/dbraw/zinc/05/89/95/167058995.db2.gz LCMUEWDVPFENNY-GHMZBOCLSA-N 1 0 228.336 0.794 10 0 BCAERO CC(C)NC(=O)C[NH2+][C@@H]1CCC[C@@H]1O ZINC000037690205 167059265 /nfs/dbraw/zinc/05/92/65/167059265.db2.gz SSAOTRSXDGFTHQ-BDAKNGLRSA-N 1 0 200.282 0.014 10 0 BCAERO CC(C)NC(=O)C[NH2+]C1CCC(C(N)=O)CC1 ZINC000038092048 167059371 /nfs/dbraw/zinc/05/93/71/167059371.db2.gz ISYZKGFYPCBZKO-UHFFFAOYSA-N 1 0 241.335 0.145 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)N1CCc2n[nH]cc2C1 ZINC000396813608 410900607 /nfs/dbraw/zinc/90/06/07/410900607.db2.gz FEKPEHUQCYJUHM-GXSJLCMTSA-N 1 0 248.330 0.669 10 0 BCAERO CC(C)NC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000136082763 167070381 /nfs/dbraw/zinc/07/03/81/167070381.db2.gz MIGDEHQQQGBOGW-JTQLQIEISA-N 1 0 211.309 0.884 10 0 BCAERO CC(C)[NH2+]C1(C(N)=O)CCC2(CC1)OCCO2 ZINC000037943548 167092936 /nfs/dbraw/zinc/09/29/36/167092936.db2.gz JZSLGYZXXOZZDQ-UHFFFAOYSA-N 1 0 242.319 0.526 10 0 BCAERO CC(C)[NH2+]C1(C(N)=O)CCSCC1 ZINC000041048791 167093084 /nfs/dbraw/zinc/09/30/84/167093084.db2.gz PLXCKNFLMVCCAK-UHFFFAOYSA-N 1 0 202.323 0.736 10 0 BCAERO CC(C)[NH2+]CC(=O)N1CCC[C@@H](CO)C1 ZINC000037477195 167095376 /nfs/dbraw/zinc/09/53/76/167095376.db2.gz MZHUZUCUIZFATM-SNVBAGLBSA-N 1 0 214.309 0.215 10 0 BCAERO CC(C)[NH2+]CCN1C(=O)CCCCC1=O ZINC000042410379 167105112 /nfs/dbraw/zinc/10/51/12/167105112.db2.gz CJWKHHJYBLNSMC-UHFFFAOYSA-N 1 0 212.293 0.914 10 0 BCAERO CC(C)[NH2+]CCc1nnc2cnccn21 ZINC000037475054 167109901 /nfs/dbraw/zinc/10/99/01/167109901.db2.gz AUMOEUDEFBYICD-UHFFFAOYSA-N 1 0 205.265 0.665 10 0 BCAERO CC(C)N[C@@H](CC[N@H+](C)C[C@@H]1C[C@@H]1C)C(N)=O ZINC000104426962 167132995 /nfs/dbraw/zinc/13/29/95/167132995.db2.gz CSSJMAGMQVRFQI-SRVKXCTJSA-N 1 0 241.379 0.816 10 0 BCAERO [NH3+]C1CCC(C(=O)NCCn2ccnc2)CC1 ZINC000041120052 410906748 /nfs/dbraw/zinc/90/67/48/410906748.db2.gz LNMXOFNRDBLSRI-UHFFFAOYSA-N 1 0 236.319 0.517 10 0 BCAERO CC(C)OCCCN1C[C@H](C)O[C@@H](C[NH3+])C1 ZINC000071534947 167216306 /nfs/dbraw/zinc/21/63/06/167216306.db2.gz GVYQDEMPIMOBNA-RYUDHWBXSA-N 1 0 230.352 0.850 10 0 BCAERO CC(C)OC[C@H](O)C[NH2+][C@H](CN(C)C)C(C)C ZINC000049204399 167269510 /nfs/dbraw/zinc/26/95/10/167269510.db2.gz TVIATZGTOOHOGV-CHWSQXEVSA-N 1 0 246.395 0.948 10 0 BCAERO CC(C)S[C@@H](C)C(=O)N1CC[NH2+]CC1 ZINC000043403156 167335953 /nfs/dbraw/zinc/33/59/53/167335953.db2.gz URCADUZCBKWGBW-VIFPVBQESA-N 1 0 216.350 0.948 10 0 BCAERO CC(C)C[C@@H]([NH3+])C(=O)N[C@H](C)c1ncon1 ZINC000397976154 410938424 /nfs/dbraw/zinc/93/84/24/410938424.db2.gz DKZOPAHANNFQKD-HTQZYQBOSA-N 1 0 226.280 0.620 10 0 BCAERO CC(C)[C@@H](C)NC(=O)C1(C[NH3+])CCOCC1 ZINC000044762399 167370663 /nfs/dbraw/zinc/37/06/63/167370663.db2.gz JOMAOFSFLKHDBQ-SNVBAGLBSA-N 1 0 228.336 0.903 10 0 BCAERO CC(C)[C@@H](CN(C)C)[NH2+][C@@H](C)C(=O)NC1CC1 ZINC000049205432 167394728 /nfs/dbraw/zinc/39/47/28/167394728.db2.gz SUFTVGVIUMDSSE-CMPLNLGQSA-N 1 0 241.379 0.829 10 0 BCAERO CC(C)[C@@H](C[NH3+])C(=O)N(C)Cc1nccn1C ZINC000062252395 167395693 /nfs/dbraw/zinc/39/56/93/167395693.db2.gz NKJRZYSHSDTZJE-SNVBAGLBSA-N 1 0 238.335 0.609 10 0 BCAERO CC(C)[C@@H](C[NH3+])NC(=O)N1CCOCC1 ZINC000082642830 167397632 /nfs/dbraw/zinc/39/76/32/167397632.db2.gz HSUJNPQIFSWCNZ-SECBINFHSA-N 1 0 215.297 0.012 10 0 BCAERO CC(C)[C@@H]([NH3+])CN(C)[C@@H]1CCS(=O)(=O)C1 ZINC000036870219 167420270 /nfs/dbraw/zinc/42/02/70/167420270.db2.gz AZPOUQVINNQYPK-ZJUUUORDSA-N 1 0 234.365 0.089 10 0 BCAERO CNC(=O)CCCNC(=O)C[C@H]([NH3+])C(C)C ZINC000398369838 410961822 /nfs/dbraw/zinc/96/18/22/410961822.db2.gz CJMIMMCHWVSXRI-VIFPVBQESA-N 1 0 229.324 0.002 10 0 BCAERO CCN(CC)S(=O)(=O)C1CC[NH2+]CC1 ZINC000049631892 169793244 /nfs/dbraw/zinc/79/32/44/169793244.db2.gz YPBBJDVJXLECNG-UHFFFAOYSA-N 1 0 220.338 0.410 10 0 BCAERO CC[C@H](C(N)=O)[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000398719125 410982021 /nfs/dbraw/zinc/98/20/21/410982021.db2.gz GXSZZKDCJMSIBZ-UKKRHICBSA-N 1 0 226.320 0.343 10 0 BCAERO [NH3+][C@H](C(=O)N[C@@H]1CCC[C@@H](O)C1)C1CCC1 ZINC000398982484 411005946 /nfs/dbraw/zinc/00/59/46/411005946.db2.gz GPLMQEBOZXUDKV-MXWKQRLJSA-N 1 0 226.320 0.534 10 0 BCAERO Cc1ocnc1CNC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000398126273 410944112 /nfs/dbraw/zinc/94/41/12/410944112.db2.gz YYIFBVSPFQRKDP-ZJUUUORDSA-N 1 0 237.303 0.974 10 0 BCAERO COC[C@H](C)NC(=O)[C@H](C(C)C)[C@H](C)[NH3+] ZINC000399498745 411046935 /nfs/dbraw/zinc/04/69/35/411046935.db2.gz ICWARVHNZUWKRA-LPEHRKFASA-N 1 0 216.325 0.757 10 0 BCAERO CN(CCC(C)(C)C)C(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000399811295 411067961 /nfs/dbraw/zinc/06/79/61/411067961.db2.gz DMDGTVUBLDXWCT-NXEZZACHSA-N 1 0 228.336 0.604 10 0 BCAERO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1C(=O)N1CCC[C@H]([NH3+])C1 ZINC000087236682 487620359 /nfs/dbraw/zinc/62/03/59/487620359.db2.gz PSOBYTIOWGAKSB-CSYMLDBXSA-N 1 0 240.347 0.996 10 0 BCAERO COC[C@H]([NH3+])C(=O)N[C@@H](C)Cc1ccccn1 ZINC000655499792 411035299 /nfs/dbraw/zinc/03/52/99/411035299.db2.gz QGYYQDQLEAQFIK-ONGXEEELSA-N 1 0 237.303 0.103 10 0 BCAERO COC[C@H]([NH3+])C(=O)N[C@H](C)Cc1ccccn1 ZINC000655499789 411035647 /nfs/dbraw/zinc/03/56/47/411035647.db2.gz QGYYQDQLEAQFIK-KOLCDFICSA-N 1 0 237.303 0.103 10 0 BCAERO COc1cccnc1N1CC[C@H](C[NH3+])C1 ZINC000107203718 411132832 /nfs/dbraw/zinc/13/28/32/411132832.db2.gz PZQVKYHNPIGYCR-SECBINFHSA-N 1 0 207.277 0.875 10 0 BCAERO COc1cccnc1N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000128505660 411101988 /nfs/dbraw/zinc/10/19/88/411101988.db2.gz ZMWSGAUXKUNJRY-KOLCDFICSA-N 1 0 237.303 0.643 10 0 BCAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)CC[C@@H]1CCCO1 ZINC000309364010 411107677 /nfs/dbraw/zinc/10/76/77/411107677.db2.gz ZWOPXJXDRYICRI-OUAUKWLOSA-N 1 0 226.320 0.894 10 0 BCAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)CC[C@@H]1CCCO1 ZINC000309364013 411107765 /nfs/dbraw/zinc/10/77/65/411107765.db2.gz ZWOPXJXDRYICRI-VWYCJHECSA-N 1 0 226.320 0.894 10 0 BCAERO C[C@@H]1C[C@@H](NC(=O)CC[C@H]2CCC[NH2+]2)CO1 ZINC000402380710 411173922 /nfs/dbraw/zinc/17/39/22/411173922.db2.gz MKOWFUIUTLGHGL-GMTAPVOTSA-N 1 0 226.320 0.812 10 0 BCAERO COCC[C@H](C)[NH2+][C@@H]1CCC(=O)N[C@H]1C ZINC000336773960 411181955 /nfs/dbraw/zinc/18/19/55/411181955.db2.gz ZDFHQXMSFIVCOY-LPEHRKFASA-N 1 0 214.309 0.668 10 0 BCAERO CCNC(=O)[C@@H](C)NC(=O)C[C@H]([NH3+])C(C)C ZINC000128931115 411190598 /nfs/dbraw/zinc/19/05/98/411190598.db2.gz IFBBFWQVEKAZAU-BDAKNGLRSA-N 1 0 229.324 0.001 10 0 BCAERO C[C@@H]1CSC(NCC[S@](C)=O)=[NH+]1 ZINC000229251522 411190640 /nfs/dbraw/zinc/19/06/40/411190640.db2.gz YUUOJRJOZVLUIF-INWYIAFRSA-N 1 0 206.336 0.446 10 0 BCAERO C[C@@H]1C[C@H](NC(=O)[C@@H]2CCC[C@H]2C[NH3+])CO1 ZINC000402055537 411193883 /nfs/dbraw/zinc/19/38/83/411193883.db2.gz OUYJSAHQVNVXND-VPOLOUISSA-N 1 0 226.320 0.655 10 0 BCAERO OC[C@@H]1C[C@H]1[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000393230330 411194371 /nfs/dbraw/zinc/19/43/71/411194371.db2.gz WATBRQKCQXPCGL-HGCLJGPKSA-N 1 0 223.316 0.914 10 0 BCAERO CC(C)[C@@H]([NH3+])CC(=O)N(C)C[C@@H]1CCCO1 ZINC000129001340 411196730 /nfs/dbraw/zinc/19/67/30/411196730.db2.gz SVEPXTQYLUJPLN-QWRGUYRKSA-N 1 0 228.336 0.997 10 0 BCAERO COC[C@@H](C)CNC(=O)C[C@H]([NH3+])C(C)C ZINC000129024623 411207256 /nfs/dbraw/zinc/20/72/56/411207256.db2.gz HKRRBRSBEKVWHF-UWVGGRQHSA-N 1 0 216.325 0.759 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)NCc1ncc[nH]1 ZINC000129092535 411221263 /nfs/dbraw/zinc/22/12/63/411221263.db2.gz NKHVBSHUWBBODX-MRVPVSSYSA-N 1 0 210.281 0.399 10 0 BCAERO CC(C)[C@@H]([NH3+])CC(=O)NCc1ncc[nH]1 ZINC000129092769 411221450 /nfs/dbraw/zinc/22/14/50/411221450.db2.gz NKHVBSHUWBBODX-QMMMGPOBSA-N 1 0 210.281 0.399 10 0 BCAERO CCn1nc(C)cc1C(=O)N1CC[C@H]([NH3+])[C@H]1C ZINC000310291578 411232917 /nfs/dbraw/zinc/23/29/17/411232917.db2.gz NUPOEXOFWXUWPJ-ZJUUUORDSA-N 1 0 236.319 0.773 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)N[C@@H](C)CCCO ZINC000129139041 411233047 /nfs/dbraw/zinc/23/30/47/411233047.db2.gz DGXRMVVHTYVNFI-VHSXEESVSA-N 1 0 216.325 0.637 10 0 BCAERO CC(C)[C@@H]([NH3+])CC(=O)NC[C@@H]1CCCO1 ZINC000128874995 411269444 /nfs/dbraw/zinc/26/94/44/411269444.db2.gz NNELOLDYLQIOAY-UWVGGRQHSA-N 1 0 214.309 0.655 10 0 BCAERO Nc1cc([C@H]2CC[N@H+](CCO)C2)ccn1 ZINC000616613621 411280179 /nfs/dbraw/zinc/28/01/79/411280179.db2.gz NNMNQWSOGAMZEC-JTQLQIEISA-N 1 0 207.277 0.445 10 0 BCAERO Nc1cc([C@H]2CCCCC[N@@H+]2CCO)[nH]n1 ZINC000616624388 411280363 /nfs/dbraw/zinc/28/03/63/411280363.db2.gz ZULPINBFMRRNOQ-SNVBAGLBSA-N 1 0 224.308 0.901 10 0 BCAERO COc1cc(N2CC3CC2(C[NH3+])C3)ncn1 ZINC000656470134 411281912 /nfs/dbraw/zinc/28/19/12/411281912.db2.gz JURIOUFKEGANNS-UHFFFAOYSA-N 1 0 220.276 0.413 10 0 BCAERO Nc1ccn([C@@H]2CCCN(CC[NH3+])C2)n1 ZINC000616621218 411287242 /nfs/dbraw/zinc/28/72/42/411287242.db2.gz QGBHDFCUBWFCIM-SECBINFHSA-N 1 0 209.297 0.061 10 0 BCAERO Nc1n[nH]cc1[C@H]1CCCN(CC[NH3+])CC1 ZINC000616629960 411287447 /nfs/dbraw/zinc/28/74/47/411287447.db2.gz XALHRZCXCPIOJS-VIFPVBQESA-N 1 0 223.324 0.520 10 0 BCAERO Nc1cc([C@@H]2CCOCCN2CC[NH3+])ccn1 ZINC000616598733 411287623 /nfs/dbraw/zinc/28/76/23/411287623.db2.gz UVSQJCTXLPQZNC-NSHDSACASA-N 1 0 236.319 0.386 10 0 BCAERO Cc1nnc2c(N[C@@H]3CCC[C@H]([NH3+])C3)nccn12 ZINC000382457003 411290593 /nfs/dbraw/zinc/29/05/93/411290593.db2.gz KGRMVLIRHOHQBM-VHSXEESVSA-N 1 0 246.318 0.536 10 0 BCAERO Cc1nnc2c(N[C@H]3CCC[C@@H]([NH3+])C3)nccn12 ZINC000382457004 411290610 /nfs/dbraw/zinc/29/06/10/411290610.db2.gz KGRMVLIRHOHQBM-ZJUUUORDSA-N 1 0 246.318 0.536 10 0 BCAERO C[NH2+][C@H](C)C(=O)NCc1ncccc1C ZINC000070909538 411299030 /nfs/dbraw/zinc/29/90/30/411299030.db2.gz NLMZIEWIECXCSU-SECBINFHSA-N 1 0 207.277 0.614 10 0 BCAERO C[NH+](C)[C@H]1CCN(C(=O)c2ccc(N)nc2)C1 ZINC000062984737 411330332 /nfs/dbraw/zinc/33/03/32/411330332.db2.gz PFWNYGSIHGEZEK-JTQLQIEISA-N 1 0 234.303 0.440 10 0 BCAERO C[C@H]([NH2+]C1CC(CO)C1)c1nccn1C ZINC000658357176 411303398 /nfs/dbraw/zinc/30/33/98/411303398.db2.gz SPXDGUNVFGHRBR-IDKOKCKLSA-N 1 0 209.293 0.842 10 0 BCAERO CC(C)OC[C@H](O)CN1CC[C@H]([NH+](C)C)C1 ZINC000069661324 411303641 /nfs/dbraw/zinc/30/36/41/411303641.db2.gz CQVPONYFYRAAES-NWDGAFQWSA-N 1 0 230.352 0.408 10 0 BCAERO Cn1ccnc(N2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1=O ZINC000310996122 411304695 /nfs/dbraw/zinc/30/46/95/411304695.db2.gz MFHXIKFOTGDTBD-GWCFXTLKSA-N 1 0 248.330 0.346 10 0 BCAERO CCN(C(=O)[C@@H]1CC[NH2+]C1)[C@H]1CCCOC1 ZINC000402666520 411307383 /nfs/dbraw/zinc/30/73/83/411307383.db2.gz AYALDIKMPXHFGV-MNOVXSKESA-N 1 0 226.320 0.623 10 0 BCAERO CN1C[C@H](C[NH2+][C@@H]2COC3(CCC3)C2)CC1=O ZINC000658240850 411309094 /nfs/dbraw/zinc/30/90/94/411309094.db2.gz KDWKFHUMPMGUGK-QWRGUYRKSA-N 1 0 238.331 0.766 10 0 BCAERO CCOC[C@H](C)[NH2+]C[C@H]1CC(=O)N(C)C1 ZINC000658242336 411309318 /nfs/dbraw/zinc/30/93/18/411309318.db2.gz HTBYQNZMALUXPW-VHSXEESVSA-N 1 0 214.309 0.479 10 0 BCAERO Cc1cnc(N2CC3CC2(C[NH3+])C3)nc1 ZINC000656610979 411309468 /nfs/dbraw/zinc/30/94/68/411309468.db2.gz PLJOUXIGUTXUTO-UHFFFAOYSA-N 1 0 204.277 0.713 10 0 BCAERO C[C@@H]1C[NH2+]C[C@@H](NC[C@H](O)C(C)(C)C)C1 ZINC000401741756 411310827 /nfs/dbraw/zinc/31/08/27/411310827.db2.gz HIEIVJJGHRHCDO-DCAQKATOSA-N 1 0 214.353 0.981 10 0 BCAERO C[N@@H+]1CCC[C@H]1CNC(=O)n1ccnc1 ZINC000225944471 411313015 /nfs/dbraw/zinc/31/30/15/411313015.db2.gz YSBHRDPOKDBDLI-VIFPVBQESA-N 1 0 208.265 0.535 10 0 BCAERO CCN1CC[C@H]([NH2+]CCn2cc(C)cn2)C1=O ZINC000656676267 411321404 /nfs/dbraw/zinc/32/14/04/411321404.db2.gz NIDRFKBDVPPVAV-NSHDSACASA-N 1 0 236.319 0.402 10 0 BCAERO CCCCNC(=O)[C@@H](C)n1cc(C[NH3+])nn1 ZINC000050224660 411254393 /nfs/dbraw/zinc/25/43/93/411254393.db2.gz KWZZKQOMRBGVCL-MRVPVSSYSA-N 1 0 225.296 0.214 10 0 BCAERO CCC[C@H](C)NC(=O)[C@@H](C)n1cc(C[NH3+])nn1 ZINC000050224681 411254509 /nfs/dbraw/zinc/25/45/09/411254509.db2.gz ZOOIYONNSGLTOX-DTWKUNHWSA-N 1 0 239.323 0.603 10 0 BCAERO [NH3+]Cc1cn(CCOc2ccccc2)nn1 ZINC000050224358 411255112 /nfs/dbraw/zinc/25/51/12/411255112.db2.gz WHPUXHCTMJPSME-UHFFFAOYSA-N 1 0 218.260 0.816 10 0 BCAERO CC1(C)CN(C(=O)N2CC[NH2+]CC2)CCO1 ZINC000036232299 167948743 /nfs/dbraw/zinc/94/87/43/167948743.db2.gz XUYZDDGTOVYGNY-UHFFFAOYSA-N 1 0 227.308 0.122 10 0 BCAERO O=C(CNc1ncccc1F)N1CC[NH2+]CC1 ZINC000054701005 411353043 /nfs/dbraw/zinc/35/30/43/411353043.db2.gz VJFJQRXXMFSAFU-UHFFFAOYSA-N 1 0 238.266 0.064 10 0 BCAERO C[C@@H](NC(=O)CN1CC[NH2+]CC1)C1CCCC1 ZINC000070307750 411373234 /nfs/dbraw/zinc/37/32/34/411373234.db2.gz DYTBQRKKNWAEIF-LLVKDONJSA-N 1 0 239.363 0.587 10 0 BCAERO CC1(C)CNC(=O)N(C2CC[NH2+]CC2)C1 ZINC000090661757 167965650 /nfs/dbraw/zinc/96/56/50/167965650.db2.gz YKQYXBIOTJSMDN-UHFFFAOYSA-N 1 0 211.309 0.790 10 0 BCAERO CCN(C[C@@H]1CCOC1)C(=O)[C@H]1CC[NH2+]C1 ZINC000062115384 411347240 /nfs/dbraw/zinc/34/72/40/411347240.db2.gz SSJNKYNTNLNZHZ-QWRGUYRKSA-N 1 0 226.320 0.481 10 0 BCAERO CC1(NC(=O)[C@@H]2C[C@H](O)C[NH2+]2)CCCCC1 ZINC000045046982 168058931 /nfs/dbraw/zinc/05/89/31/168058931.db2.gz HZHDADJKWPKRHZ-UWVGGRQHSA-N 1 0 226.320 0.548 10 0 BCAERO CC1([NH2+][C@H]2CS(=O)(=O)C[C@@H]2O)CCCC1 ZINC000042186949 168063762 /nfs/dbraw/zinc/06/37/62/168063762.db2.gz SDWHVNPXAYDOMV-IUCAKERBSA-N 1 0 233.333 0.067 10 0 BCAERO CC1([NH2+][C@@H]2CS(=O)(=O)C[C@@H]2O)CCCC1 ZINC000042186946 168064859 /nfs/dbraw/zinc/06/48/59/168064859.db2.gz SDWHVNPXAYDOMV-BDAKNGLRSA-N 1 0 233.333 0.067 10 0 BCAERO CC(C)([NH3+])c1cn([C@H]2CCCC[C@H]2O)nn1 ZINC000069680208 411380274 /nfs/dbraw/zinc/38/02/74/411380274.db2.gz SRBGHCBNPGPSEA-DTWKUNHWSA-N 1 0 224.308 0.948 10 0 BCAERO CCOc1nccnc1NC[C@@H](C)C[NH3+] ZINC000579099342 411381817 /nfs/dbraw/zinc/38/18/17/411381817.db2.gz BMBNYFHZACGHAD-QMMMGPOBSA-N 1 0 210.281 0.882 10 0 BCAERO CC1CC(=O)N(C2CC[NH2+]CC2)C(=O)C1 ZINC000061829045 168139054 /nfs/dbraw/zinc/13/90/54/168139054.db2.gz IAKDTFNQVGGHGM-UHFFFAOYSA-N 1 0 210.277 0.524 10 0 BCAERO CC1CC(=O)N(C[C@H]2CCC[NH2+]C2)C(=O)C1 ZINC000061828861 168139541 /nfs/dbraw/zinc/13/95/41/168139541.db2.gz DXWHVTXUWKXXGQ-JTQLQIEISA-N 1 0 224.304 0.771 10 0 BCAERO CC1CCC(CO)([NH2+]C[C@@H](O)CN(C)C)CC1 ZINC000053118278 168156656 /nfs/dbraw/zinc/15/66/56/168156656.db2.gz RIQRNTZJBDQJFL-OTTFEQOBSA-N 1 0 244.379 0.440 10 0 BCAERO C[C@H]([NH2+]CC1CCC(C)CC1)C(=O)NC(N)=O ZINC000058790332 168156785 /nfs/dbraw/zinc/15/67/85/168156785.db2.gz DHROXSQESSGTPL-KYHHOPLUSA-N 1 0 241.335 0.986 10 0 BCAERO CC1CCC(N(C)S(=O)(=O)CC[NH3+])CC1 ZINC000042488154 168159654 /nfs/dbraw/zinc/15/96/54/168159654.db2.gz PINDIRIKNXQYLI-UHFFFAOYSA-N 1 0 234.365 0.785 10 0 BCAERO CC1CCC(c2nnnn2CC[NH3+])CC1 ZINC000044983984 168169653 /nfs/dbraw/zinc/16/96/53/168169653.db2.gz MFNFSHBCWTULAJ-UHFFFAOYSA-N 1 0 209.297 0.926 10 0 BCAERO CC1CC[NH+](CC[C@@H]([NH3+])C(=O)[O-])CC1 ZINC000062439821 168182386 /nfs/dbraw/zinc/18/23/86/168182386.db2.gz JWGFTYZSZJIOCV-SECBINFHSA-N 1 0 200.282 0.520 10 0 BCAERO c1cncc(CCN2CC[C@@H]3OCC[NH2+][C@@H]3C2)c1 ZINC000404275496 411387971 /nfs/dbraw/zinc/38/79/71/411387971.db2.gz RTUCISOXYIZDLP-KGLIPLIRSA-N 1 0 247.342 0.687 10 0 BCAERO CCC(=O)N1CCN(C2CC[NH2+]CC2)C1=O ZINC000049454957 168219990 /nfs/dbraw/zinc/21/99/90/168219990.db2.gz JYUZYQIJZYGBDV-UHFFFAOYSA-N 1 0 225.292 0.413 10 0 BCAERO CO[C@H](C(=O)NC[C@@H]1CC[NH2+]C1)C1CCC1 ZINC000659303844 411391056 /nfs/dbraw/zinc/39/10/56/411391056.db2.gz JZCJBGLDVKKQJY-KOLCDFICSA-N 1 0 226.320 0.527 10 0 BCAERO [NH3+]CCN1CCCC[C@H]1c1ccnnc1 ZINC000616615788 411391125 /nfs/dbraw/zinc/39/11/25/411391125.db2.gz BGZZXEFCLNAUKC-NSHDSACASA-N 1 0 206.293 0.962 10 0 BCAERO CCC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000116788431 168221903 /nfs/dbraw/zinc/22/19/03/168221903.db2.gz JUJVECOOXNIZOJ-SECBINFHSA-N 1 0 200.282 0.185 10 0 BCAERO COC[C@@H]([NH3+])C(=O)NCC1(CO)CCCCC1 ZINC000125653463 411391548 /nfs/dbraw/zinc/39/15/48/411391548.db2.gz WCEHNXOMKWQJBO-SNVBAGLBSA-N 1 0 244.335 0.019 10 0 BCAERO C[C@@H]([NH3+])[C@@H]1CN(c2ccc(F)cn2)CCO1 ZINC000126794800 411458967 /nfs/dbraw/zinc/45/89/67/411458967.db2.gz VDDKXMSTBKDDEQ-SCZZXKLOSA-N 1 0 225.267 0.773 10 0 BCAERO COCC1(N(C)C(=O)[C@@H]2CCC[C@H]2C[NH3+])CC1 ZINC000659338989 411398237 /nfs/dbraw/zinc/39/82/37/411398237.db2.gz SSSKIWFLAMPMML-WDEREUQCSA-N 1 0 240.347 0.999 10 0 BCAERO O=C(N=c1cc[nH][nH]1)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653345936 411398694 /nfs/dbraw/zinc/39/86/94/411398694.db2.gz BJOHXPARKZTCLY-PHDIDXHHSA-N 1 0 248.208 0.168 10 0 BCAERO O=C(Nc1nc[nH]n1)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653346296 411400542 /nfs/dbraw/zinc/40/05/42/411400542.db2.gz PMRCLQQLJCUOKR-RFZPGFLSSA-N 1 0 249.196 0.141 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@H]1CCC[C@H](C)O1 ZINC000659363082 411404209 /nfs/dbraw/zinc/40/42/09/411404209.db2.gz ZNPCIWPOTSTGGC-WRWGMCAJSA-N 1 0 240.347 0.916 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@@H]1CCC[C@@H](C)O1 ZINC000659363081 411404226 /nfs/dbraw/zinc/40/42/26/411404226.db2.gz ZNPCIWPOTSTGGC-WISYIIOYSA-N 1 0 240.347 0.916 10 0 BCAERO C[C@@H]1C[C@@H]1NC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653073264 411413397 /nfs/dbraw/zinc/41/33/97/411413397.db2.gz XKAAUQKDVNMWGO-XUTVFYLZSA-N 1 0 236.237 0.909 10 0 BCAERO CNC(=O)[C@H]1CCCN1C(=O)C[C@H]([NH3+])C(C)C ZINC000126139563 411418693 /nfs/dbraw/zinc/41/86/93/411418693.db2.gz YPXIYHUULIJNAY-VHSXEESVSA-N 1 0 241.335 0.097 10 0 BCAERO C[C@H](O)CCNC(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000647922218 411433661 /nfs/dbraw/zinc/43/36/61/411433661.db2.gz AEMLIIRSCYIQMZ-YUMQZZPRSA-N 1 0 236.262 0.118 10 0 BCAERO [NH3+]CC1(C(=O)N[C@@H]2CCC[C@H](O)C2)CCCC1 ZINC000122995725 411437217 /nfs/dbraw/zinc/43/72/17/411437217.db2.gz DXAJGFIOIONUQY-MNOVXSKESA-N 1 0 240.347 0.925 10 0 BCAERO C[C@]1(C(=O)NCC[C@H]2CCCO2)CCC[NH2+]1 ZINC000070618983 411440799 /nfs/dbraw/zinc/44/07/99/411440799.db2.gz LEUVWFJAWVTEBQ-ZYHUDNBSSA-N 1 0 226.320 0.814 10 0 BCAERO [NH3+][C@@H]1CC=C(C(=O)N[C@@H]2CCC[C@H](O)C2)C1 ZINC000637929387 411446599 /nfs/dbraw/zinc/44/65/99/411446599.db2.gz YIOQMSVMGSFOGC-MXWKQRLJSA-N 1 0 224.304 0.454 10 0 BCAERO CCNC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000307345646 411471704 /nfs/dbraw/zinc/47/17/04/411471704.db2.gz WCVQUXMJVNWRDM-PHDIDXHHSA-N 1 0 210.199 0.520 10 0 BCAERO C[C@H](O)CCNC(=O)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000407356349 411481411 /nfs/dbraw/zinc/48/14/11/411481411.db2.gz OKLVBOSATDFYFG-INTQDDNPSA-N 1 0 226.320 0.404 10 0 BCAERO CCN([C@@H]1CC[NH2+]C1)S(=O)(=O)C(C)C ZINC000037657318 169940613 /nfs/dbraw/zinc/94/06/13/169940613.db2.gz OKFJRHSOPOVQJD-SECBINFHSA-N 1 0 220.338 0.408 10 0 BCAERO CCN1C(=O)CSC12CC[NH2+]CC2 ZINC000039100579 169946288 /nfs/dbraw/zinc/94/62/88/169946288.db2.gz VIGNAXBSFSLMOB-UHFFFAOYSA-N 1 0 200.307 0.661 10 0 BCAERO C[C@H](O)C1CCN(C(=O)[C@@H]2CC[NH2+][C@H]2C)CC1 ZINC000300242300 411489043 /nfs/dbraw/zinc/48/90/43/411489043.db2.gz YXCRCWUWPGKAAQ-JBLDHEPKSA-N 1 0 240.347 0.604 10 0 BCAERO CC[N@@H+]1CC[C@H](CNCC(=O)N(C)C2CC2)C1 ZINC000049304989 170015715 /nfs/dbraw/zinc/01/57/15/170015715.db2.gz YDJREUKBFQTTRE-LLVKDONJSA-N 1 0 239.363 0.539 10 0 BCAERO CC[N@@H+]1CCc2[nH]c(=O)c(C(=O)OC)cc2C1 ZINC000072416064 170024552 /nfs/dbraw/zinc/02/45/52/170024552.db2.gz WULAIONJDDOFBJ-UHFFFAOYSA-N 1 0 236.271 0.540 10 0 BCAERO CC[N@@H+]1C[C@@H](C)[C@@H](NCc2ccn(C)n2)C1 ZINC000309482149 170029640 /nfs/dbraw/zinc/02/96/40/170029640.db2.gz UEMAHDQIUSSZEW-PWSUYJOCSA-N 1 0 222.336 0.850 10 0 BCAERO CCN1C[C@@H](C)[C@H]([NH2+]Cc2ccnn2C)C1 ZINC000309441456 170031571 /nfs/dbraw/zinc/03/15/71/170031571.db2.gz IQOXYDRCGMGGMX-ZYHUDNBSSA-N 1 0 222.336 0.850 10 0 BCAERO CCN1C[C@@H](C)[C@H]([NH2+]Cc2cncn2C)C1 ZINC000336778139 170032119 /nfs/dbraw/zinc/03/21/19/170032119.db2.gz KLFJEDXVPZAUFD-ZYHUDNBSSA-N 1 0 222.336 0.850 10 0 BCAERO CCN1C[C@H]([NH2+][C@H](C)CCO)[C@@H](C)C1 ZINC000308537430 170036788 /nfs/dbraw/zinc/03/67/88/170036788.db2.gz SVYQIANPFADAAU-AXFHLTTASA-N 1 0 200.326 0.687 10 0 BCAERO CCN1C[C@H]([NH2+]Cc2ccnn2C)[C@@H](C)C1 ZINC000309441452 170037574 /nfs/dbraw/zinc/03/75/74/170037574.db2.gz IQOXYDRCGMGGMX-JQWIXIFHSA-N 1 0 222.336 0.850 10 0 BCAERO CC[N@@H+]1C[C@H](C)[C@H](NCc2cnnn2C)C1 ZINC000336780095 170037864 /nfs/dbraw/zinc/03/78/64/170037864.db2.gz QJVFSRXQURATAT-GXSJLCMTSA-N 1 0 223.324 0.245 10 0 BCAERO CCN1C[C@H](C)[C@H]([NH2+][C@H](C)CCO)C1 ZINC000308537438 170039358 /nfs/dbraw/zinc/03/93/58/170039358.db2.gz SVYQIANPFADAAU-HBNTYKKESA-N 1 0 200.326 0.687 10 0 BCAERO CCNC(=O)C1CCN(C(=O)CCC[NH3+])CC1 ZINC000037819025 170044278 /nfs/dbraw/zinc/04/42/78/170044278.db2.gz CEHSNFMTLYKPNF-UHFFFAOYSA-N 1 0 241.335 0.100 10 0 BCAERO CCNC(=O)CC[N@H+](CC)CCC(=O)OC ZINC000050478666 170050939 /nfs/dbraw/zinc/05/09/39/170050939.db2.gz JTQDXZRYZKXYOK-UHFFFAOYSA-N 1 0 230.308 0.398 10 0 BCAERO CCNC(=O)CC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000046502067 170051654 /nfs/dbraw/zinc/05/16/54/170051654.db2.gz YKXMKRGNBRKHRW-NXEZZACHSA-N 1 0 214.309 0.622 10 0 BCAERO CCNC(=O)CC[NH2+]C[C@H](C)N1CCCCC1 ZINC000051759205 170052677 /nfs/dbraw/zinc/05/26/77/170052677.db2.gz HBAMIEWSOLJAJC-LBPRGKRZSA-N 1 0 241.379 0.977 10 0 BCAERO CCNC(=O)CC[NH2+][C@@H](CO)c1ccccc1 ZINC000063002066 170053404 /nfs/dbraw/zinc/05/34/04/170053404.db2.gz BNAQXGOXWRSZBD-LBPRGKRZSA-N 1 0 236.315 0.836 10 0 BCAERO CCNC(=O)CNC(=O)C[C@H]1CCC[C@H]([NH3+])C1 ZINC000055125781 170062078 /nfs/dbraw/zinc/06/20/78/170062078.db2.gz BETGBBNBIRVPQC-UWVGGRQHSA-N 1 0 241.335 0.146 10 0 BCAERO CCNC(=O)C[NH2+]Cc1ccccc1C(N)=O ZINC000036780539 170064317 /nfs/dbraw/zinc/06/43/17/170064317.db2.gz PTPYSWAYTYRCRZ-UHFFFAOYSA-N 1 0 235.287 0.011 10 0 BCAERO CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1O ZINC000037691524 170065673 /nfs/dbraw/zinc/06/56/73/170065673.db2.gz XFLBJMOCMLBSQD-RKDXNWHRSA-N 1 0 200.282 0.016 10 0 BCAERO CCNC(=O)C[NH2+][C@H]1CCCC[C@H]1O ZINC000037691525 170065804 /nfs/dbraw/zinc/06/58/04/170065804.db2.gz XFLBJMOCMLBSQD-DTWKUNHWSA-N 1 0 200.282 0.016 10 0 BCAERO CCNC(=O)C[NH2+][C@H](CO)c1ccccc1 ZINC000063003139 170065860 /nfs/dbraw/zinc/06/58/60/170065860.db2.gz TWRQVCVGOYPJBB-LLVKDONJSA-N 1 0 222.288 0.446 10 0 BCAERO CCNC(=O)C[NH2+][C@H](C)C(=O)N1CCCCC1 ZINC000035133868 170066058 /nfs/dbraw/zinc/06/60/58/170066058.db2.gz WKKYOUWQHHLRKA-SNVBAGLBSA-N 1 0 241.335 0.113 10 0 BCAERO CCNC(=O)C[NH2+][C@H](C)C(=O)NC(CC)CC ZINC000035207079 170066173 /nfs/dbraw/zinc/06/61/73/170066173.db2.gz KXJDVRBWZLEQGQ-SECBINFHSA-N 1 0 243.351 0.405 10 0 BCAERO CCNC(=O)Cc1ccc(NC(=O)[C@@H](C)[NH3+])cc1 ZINC000037002294 170070648 /nfs/dbraw/zinc/07/06/48/170070648.db2.gz JZVWTJJGPWTPHG-SECBINFHSA-N 1 0 249.314 0.651 10 0 BCAERO CCNC(=O)NC(=O)C[NH2+]C1(C(C)C)CC1 ZINC000339511557 170077081 /nfs/dbraw/zinc/07/70/81/170077081.db2.gz ICWLBFZKWLLQRB-UHFFFAOYSA-N 1 0 227.308 0.610 10 0 BCAERO CC[N@@H+]1CC[C@H](NCc2nc(C)c[nH]2)C1 ZINC000657497020 411536091 /nfs/dbraw/zinc/53/60/91/411536091.db2.gz USRUPDNQCAXWKR-JTQLQIEISA-N 1 0 208.309 0.902 10 0 BCAERO CCNC(=O)[C@@H](C)N[C@@H](C)[C@@H]1CCC[N@H+](C)C1 ZINC000036794712 170088439 /nfs/dbraw/zinc/08/84/39/170088439.db2.gz CLGLQNBIMAWYHA-QJPTWQEYSA-N 1 0 241.379 0.831 10 0 BCAERO CCNC(=O)[C@@H](C)[NH2+][C@H](C)CN1CCCCC1 ZINC000049501586 170089517 /nfs/dbraw/zinc/08/95/17/170089517.db2.gz ROPZOBCKWWUTIE-VXGBXAGGSA-N 1 0 241.379 0.975 10 0 BCAERO CCNC(=O)[C@H](C)[NH2+]Cc1ccc(C(N)=O)cc1 ZINC000035018229 170095115 /nfs/dbraw/zinc/09/51/15/170095115.db2.gz KOGOUQGLHSLSAZ-VIFPVBQESA-N 1 0 249.314 0.400 10 0 BCAERO CCNC(=O)[C@H](C)N[C@@H](C)[C@@H]1CCC[N@H+](C)C1 ZINC000036794713 170095297 /nfs/dbraw/zinc/09/52/97/170095297.db2.gz CLGLQNBIMAWYHA-SDDRHHMPSA-N 1 0 241.379 0.831 10 0 BCAERO CC[NH2+]C1CCN(CC(=O)N(C)C2CC2)CC1 ZINC000049303557 170108089 /nfs/dbraw/zinc/10/80/89/170108089.db2.gz VYJFMKYJPHFTHG-UHFFFAOYSA-N 1 0 239.363 0.681 10 0 BCAERO CC[NH2+]C1CCN(S(=O)(=O)C(F)F)CC1 ZINC000037469295 170108805 /nfs/dbraw/zinc/10/88/05/170108805.db2.gz ZFUXLLVOIVCQMV-UHFFFAOYSA-N 1 0 242.291 0.613 10 0 BCAERO CC[NH2+]C1CCN([C@@H](C)C(=O)NC(C)C)CC1 ZINC000037536996 170109089 /nfs/dbraw/zinc/10/90/89/170109089.db2.gz YCGLLUPPJIXGNN-NSHDSACASA-N 1 0 241.379 0.973 10 0 BCAERO CC[NH2+]C1CCN([C@@H](C)C(=O)N(C)C)CC1 ZINC000037469357 170109686 /nfs/dbraw/zinc/10/96/86/170109686.db2.gz ZQQCMLOIWCXJOB-JTQLQIEISA-N 1 0 227.352 0.537 10 0 BCAERO CC[NH2+]CCC(=O)N1CCCSCC1 ZINC000061298977 170111418 /nfs/dbraw/zinc/11/14/18/170111418.db2.gz HOMKUFXEDXGZPF-UHFFFAOYSA-N 1 0 216.350 0.952 10 0 BCAERO CC[NH2+]CCC(=O)N1CCOCC1(C)C ZINC000061298983 170111790 /nfs/dbraw/zinc/11/17/90/170111790.db2.gz TUUYMHZRCPLJPH-UHFFFAOYSA-N 1 0 214.309 0.623 10 0 BCAERO CC[NH2+]CCC(=O)N1C[C@@H](C)OC[C@H]1C ZINC000061289305 170111816 /nfs/dbraw/zinc/11/18/16/170111816.db2.gz LFFOGJDFVOIKDK-NXEZZACHSA-N 1 0 214.309 0.622 10 0 BCAERO CC[NH2+]CCC(=O)N1C[C@H](C(N)=O)CC[C@@H]1C ZINC000061296251 170111961 /nfs/dbraw/zinc/11/19/61/170111961.db2.gz ZJSRVCRXOOSTFJ-VHSXEESVSA-N 1 0 241.335 0.098 10 0 BCAERO CC[NH2+]C[C@@H](C)C(=O)N1CCOC[C@H]1C ZINC000061229673 170117928 /nfs/dbraw/zinc/11/79/28/170117928.db2.gz UNRNMGGDPVQVBD-NXEZZACHSA-N 1 0 214.309 0.479 10 0 BCAERO CC[NH2+]C[C@@H](C)C(=O)N1CCC(O)CC1 ZINC000061228162 170117983 /nfs/dbraw/zinc/11/79/83/170117983.db2.gz JJXRHVJBMKMKPQ-SECBINFHSA-N 1 0 214.309 0.215 10 0 BCAERO CC[NH2+]CCc1nnc2cc(C)ncn21 ZINC000051784380 170118163 /nfs/dbraw/zinc/11/81/63/170118163.db2.gz VJFLNAGKRLAKLZ-UHFFFAOYSA-N 1 0 205.265 0.585 10 0 BCAERO CC[NH2+]CCn1nc2ccccn2c1=O ZINC000042409997 170118268 /nfs/dbraw/zinc/11/82/68/170118268.db2.gz MVXNFOGPEQOZET-UHFFFAOYSA-N 1 0 206.249 0.106 10 0 BCAERO CC[NH2+]C[C@@H](C)C(=O)N1CCO[C@@H](C)C1 ZINC000061227132 170118465 /nfs/dbraw/zinc/11/84/65/170118465.db2.gz BKWQDVHKJRKOJA-ZJUUUORDSA-N 1 0 214.309 0.479 10 0 BCAERO CC[NH2+]C[C@@H](O)Cn1c(=O)cnc2ccccc21 ZINC000036950747 170119170 /nfs/dbraw/zinc/11/91/70/170119170.db2.gz SAHRLSIAWABGDS-SNVBAGLBSA-N 1 0 247.298 0.367 10 0 BCAERO CC[NH2+]C[C@@H](C)C(=O)NCc1ccnc(C)n1 ZINC000061266249 170119355 /nfs/dbraw/zinc/11/93/55/170119355.db2.gz CGVIQIMRHFFVHF-SECBINFHSA-N 1 0 236.319 0.647 10 0 BCAERO CC[NH2+]C[C@@H]1CCCN1c1nccn(C)c1=O ZINC000061752637 170119951 /nfs/dbraw/zinc/11/99/51/170119951.db2.gz JBZWKSWMVFSQTR-JTQLQIEISA-N 1 0 236.319 0.359 10 0 BCAERO CC[NH2+]C[C@H](C)C(=O)N1CCSCC1 ZINC000061228646 170121767 /nfs/dbraw/zinc/12/17/67/170121767.db2.gz SZFXGKCLQKWFNA-VIFPVBQESA-N 1 0 216.350 0.807 10 0 BCAERO CC[NH2+]C[C@H](C)C(=O)N1CCOCC1(C)C ZINC000061267648 170121787 /nfs/dbraw/zinc/12/17/87/170121787.db2.gz ZRPGZYUYCCKUSN-JTQLQIEISA-N 1 0 228.336 0.869 10 0 BCAERO CC[NH2+]C[C@H](C)c1nnc2ncccn21 ZINC000061219791 170121804 /nfs/dbraw/zinc/12/18/04/170121804.db2.gz APUQWIXPZGJGSQ-QMMMGPOBSA-N 1 0 205.265 0.837 10 0 BCAERO CC[NH2+]C[C@H](O)Cn1c(=O)cnc2ccccc21 ZINC000036950746 170122325 /nfs/dbraw/zinc/12/23/25/170122325.db2.gz SAHRLSIAWABGDS-JTQLQIEISA-N 1 0 247.298 0.367 10 0 BCAERO CC[NH2+]Cc1nnnn1-c1ccccc1 ZINC000033648697 170131385 /nfs/dbraw/zinc/13/13/85/170131385.db2.gz RGDRPZPZRCVAGF-UHFFFAOYSA-N 1 0 203.249 0.772 10 0 BCAERO CC[NH2+][C@@H](C)CC(=O)N(C)CC(=O)NC1CC1 ZINC000061269760 170138877 /nfs/dbraw/zinc/13/88/77/170138877.db2.gz HECASZQBUXKJMK-VIFPVBQESA-N 1 0 241.335 0.112 10 0 BCAERO CC[NH2+][C@@H](CN(C)[C@@H]1CCC[N@H+](C)C1)C(=O)[O-] ZINC000053248352 170145452 /nfs/dbraw/zinc/14/54/52/170145452.db2.gz OFXDIJLZCOOXDX-MNOVXSKESA-N 1 0 243.351 0.075 10 0 BCAERO CC[NH2+][C@@H]1CCC2(C[C@H]1N(C)C)OCCO2 ZINC000043816102 170150328 /nfs/dbraw/zinc/15/03/28/170150328.db2.gz KMZDAHAGUNFWIN-GHMZBOCLSA-N 1 0 228.336 0.822 10 0 BCAERO CC[NH2+][C@@H]1CCN(Cc2cccnc2)C1=O ZINC000049648598 170151686 /nfs/dbraw/zinc/15/16/86/170151686.db2.gz NYBITGGZYMGPFV-LLVKDONJSA-N 1 0 219.288 0.792 10 0 BCAERO CC[NH2+][C@@H]1CCN(C[C@H]2CCOC2)C1=O ZINC000061146775 170152079 /nfs/dbraw/zinc/15/20/79/170152079.db2.gz OTPZCMDNHQEIJY-NXEZZACHSA-N 1 0 212.293 0.233 10 0 BCAERO CC[NH2+][C@@H]1CCOC[C@@H]1N1CCOCC1 ZINC000043808513 170152650 /nfs/dbraw/zinc/15/26/50/170152650.db2.gz XAKAFOTXXVRUJX-MNOVXSKESA-N 1 0 214.309 0.086 10 0 BCAERO CC[NH2+][C@@]1(CO)COc2cc(O)ccc21 ZINC000038120140 170156155 /nfs/dbraw/zinc/15/61/55/170156155.db2.gz MJJURKRWBWCMTG-NSHDSACASA-N 1 0 209.245 0.582 10 0 BCAERO CC[NH2+][C@H](C)Cc1nc(CCOC)no1 ZINC000061213057 170158304 /nfs/dbraw/zinc/15/83/04/170158304.db2.gz XEAZEQADTGIJPM-MRVPVSSYSA-N 1 0 213.281 0.799 10 0 BCAERO CC[NH2+][C@H](C)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000035545164 170158879 /nfs/dbraw/zinc/15/88/79/170158879.db2.gz OGHBWEQKILUNSS-SSDOTTSWSA-N 1 0 233.271 0.887 10 0 BCAERO CC[NH2+][C@H]1CCN(Cc2ccco2)C1=O ZINC000049647598 170167526 /nfs/dbraw/zinc/16/75/26/170167526.db2.gz WFBUCGKLHSIDEE-JTQLQIEISA-N 1 0 208.261 0.990 10 0 BCAERO CCOC(=O)C(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000049561792 170183982 /nfs/dbraw/zinc/18/39/82/170183982.db2.gz SVYILGVZXBKHOM-JTQLQIEISA-N 1 0 244.335 0.642 10 0 BCAERO CCOC(=O)C1(NC)C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000037458745 170190369 /nfs/dbraw/zinc/19/03/69/170190369.db2.gz VOANYGNYPGJJNH-DHHPTOIESA-N 1 0 226.320 0.764 10 0 BCAERO CCOC(=O)C1(NC)CC[NH+](C)CC1 ZINC000037458707 170190641 /nfs/dbraw/zinc/19/06/41/170190641.db2.gz QEGWRLIMAXZTQC-UHFFFAOYSA-N 1 0 200.282 0.233 10 0 BCAERO CCOC(=O)C1=CS[C@H]([C@H]2CCC[NH2+]2)N1 ZINC000100031848 170192262 /nfs/dbraw/zinc/19/22/62/170192262.db2.gz VJUSBXJRXDLBJX-VXNVDRBHSA-N 1 0 228.317 0.805 10 0 BCAERO CCOC(=O)CCC(=O)NCCc1c[nH]cn1 ZINC000078740603 170198939 /nfs/dbraw/zinc/19/89/39/170198939.db2.gz JOGXNQHHHGOILF-UHFFFAOYSA-N 1 0 239.275 0.412 10 0 BCAERO CCOC(=O)CC[NH2+][C@H]1CCC(=O)N[C@@H]1C ZINC000309837186 170210062 /nfs/dbraw/zinc/21/00/62/170210062.db2.gz BNEVJRCFLGYPNC-BDAKNGLRSA-N 1 0 228.292 0.196 10 0 BCAERO CCOC(=O)CN(C(=O)[C@H]([NH3+])C(C)C)C1CC1 ZINC000037825595 170213144 /nfs/dbraw/zinc/21/31/44/170213144.db2.gz JBHGNJCHZPETRP-LLVKDONJSA-N 1 0 242.319 0.524 10 0 BCAERO CCOC(=O)CN(C)Cc1cccnc1C[NH3+] ZINC000103916703 170214457 /nfs/dbraw/zinc/21/44/57/170214457.db2.gz SKAIENWXGZIUKH-UHFFFAOYSA-N 1 0 237.303 0.535 10 0 BCAERO CCOC(=O)CNC(=O)NCC(C)(C)[NH+](C)C ZINC000042246616 170223020 /nfs/dbraw/zinc/22/30/20/170223020.db2.gz ZHEIWWMSUPQVJQ-UHFFFAOYSA-N 1 0 245.323 0.189 10 0 BCAERO CCOC(=O)N1CC[C@H]([NH3+])[C@@H](OC)C1 ZINC000023549726 170240156 /nfs/dbraw/zinc/24/01/56/170240156.db2.gz FIIGTSPAEONQHZ-YUMQZZPRSA-N 1 0 202.254 0.191 10 0 BCAERO CCOC(=O)[C@@H](N)CC[NH+](CC)CC ZINC000062440290 170252818 /nfs/dbraw/zinc/25/28/18/170252818.db2.gz PMUAZGIPJZJRJI-VIFPVBQESA-N 1 0 202.298 0.609 10 0 BCAERO CCOC(=O)[C@@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000060123716 170256468 /nfs/dbraw/zinc/25/64/68/170256468.db2.gz PKLZHACRYGEWQH-QWRGUYRKSA-N 1 0 223.272 0.480 10 0 BCAERO CCOC(=O)[C@@H]1CCC[N@@H+]1CC(C)(C)O ZINC000050064190 170258048 /nfs/dbraw/zinc/25/80/48/170258048.db2.gz YIQQZMPUAQSESC-VIFPVBQESA-N 1 0 215.293 0.785 10 0 BCAERO CCOC(=O)[C@@H]1CCCN1CCC[NH+](C)C ZINC000164196804 170258564 /nfs/dbraw/zinc/25/85/64/170258564.db2.gz ZEGYGWXHTIUKOA-NSHDSACASA-N 1 0 228.336 0.966 10 0 BCAERO CCOC(=O)[C@@H]1CSCCC(N)=[NH+]1 ZINC000026578580 170259862 /nfs/dbraw/zinc/25/98/62/170259862.db2.gz LNSHKGOQQSVQCM-LURJTMIESA-N 1 0 202.279 0.412 10 0 BCAERO Cc1c(C[NH2+][C@H](C)C2(CO)CC2)cnn1C ZINC000657606668 411561426 /nfs/dbraw/zinc/56/14/26/411561426.db2.gz AAYYTCWCDKXVFJ-SNVBAGLBSA-N 1 0 223.320 0.979 10 0 BCAERO CCOC(=O)[C@H](N)CC[NH+](CC)CC ZINC000062440292 170274039 /nfs/dbraw/zinc/27/40/39/170274039.db2.gz PMUAZGIPJZJRJI-SECBINFHSA-N 1 0 202.298 0.609 10 0 BCAERO CCOC(=O)[C@H](N)C[N@H+](C)CC(C)(C)C ZINC000045423757 170274560 /nfs/dbraw/zinc/27/45/60/170274560.db2.gz NELRZGTYPVYKRV-SECBINFHSA-N 1 0 216.325 0.855 10 0 BCAERO CCOC(=O)[C@H](N)C[N@H+](CC)C1CC1 ZINC000045386164 170274976 /nfs/dbraw/zinc/27/49/76/170274976.db2.gz CKFWTIZQKCLIKJ-SECBINFHSA-N 1 0 200.282 0.361 10 0 BCAERO CCOC(=O)[C@H]1CCCN1CC[NH+](C)C ZINC000050064153 170281444 /nfs/dbraw/zinc/28/14/44/170281444.db2.gz DGMRVSFWAIXZMG-SNVBAGLBSA-N 1 0 214.309 0.576 10 0 BCAERO CCOC(=O)[C@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000038343252 170282006 /nfs/dbraw/zinc/28/20/06/170282006.db2.gz IVCFRARIWGMGRC-NTSWFWBYSA-N 1 0 211.183 0.947 10 0 BCAERO CCOC(=O)c1ccnn1CSCC[NH3+] ZINC000002538339 170300948 /nfs/dbraw/zinc/30/09/48/170300948.db2.gz FVOVQLLWLXBEGC-UHFFFAOYSA-N 1 0 229.305 0.709 10 0 BCAERO CCOCC(=O)N(C)C[C@H]1CC[N@H+](C)C1 ZINC000104495135 170337649 /nfs/dbraw/zinc/33/76/49/170337649.db2.gz SFDSKJWLYANPSL-JTQLQIEISA-N 1 0 214.309 0.433 10 0 BCAERO CCOCC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000113163095 170341773 /nfs/dbraw/zinc/34/17/73/170341773.db2.gz BCIATNIQMJLEOI-JTQLQIEISA-N 1 0 212.293 0.330 10 0 BCAERO CCOCCCN1CCC(=O)[C@@H](C(=O)OC)C1 ZINC000049783409 170372254 /nfs/dbraw/zinc/37/22/54/170372254.db2.gz VYMJSCLLGUCWBN-JTQLQIEISA-N 1 0 243.303 0.477 10 0 BCAERO CCOCCCN1C[C@@H](C[NH3+])CC1=O ZINC000019669422 170374839 /nfs/dbraw/zinc/37/48/39/170374839.db2.gz XQDNJYYMZPHIDG-SECBINFHSA-N 1 0 200.282 0.220 10 0 BCAERO CCOCCCN1C[C@H](C[NH3+])OC(C)(C)C1 ZINC000011886683 170376317 /nfs/dbraw/zinc/37/63/17/170376317.db2.gz FCXBVFOTDAWDCR-NSHDSACASA-N 1 0 230.352 0.851 10 0 BCAERO CCOCCC[NH2+]CC(=O)NC(C)(C)C ZINC000020054956 170380641 /nfs/dbraw/zinc/38/06/41/170380641.db2.gz XJJMWEBHKFFQJH-UHFFFAOYSA-N 1 0 216.325 0.917 10 0 BCAERO CCOCCC[NH2+]CC(=O)NC(C)C ZINC000005980131 170380955 /nfs/dbraw/zinc/38/09/55/170380955.db2.gz SKXJEBNDAISVRJ-UHFFFAOYSA-N 1 0 202.298 0.527 10 0 BCAERO Cc1cc(NC(=O)[C@H]2CCC[NH2+][C@@H]2C)no1 ZINC000335593623 411631744 /nfs/dbraw/zinc/63/17/44/411631744.db2.gz JEQPSFCFFGWFJP-BDAKNGLRSA-N 1 0 223.276 1.310 10 0 BCAERO CC[N@@H+]1CC[C@H](Nc2nccn3cnnc23)C1 ZINC000389337523 411636445 /nfs/dbraw/zinc/63/64/45/411636445.db2.gz RJMLFXGQTBRNQL-VIFPVBQESA-N 1 0 232.291 0.630 10 0 BCAERO CCOCCO[C@@H](C)C(=O)N1CCC[C@H]1C[NH3+] ZINC000236933515 170420312 /nfs/dbraw/zinc/42/03/12/170420312.db2.gz QFKCQYUCLJNEHL-QWRGUYRKSA-N 1 0 244.335 0.378 10 0 BCAERO CC(C)COC[C@H](O)C[NH2+]C1CC(CO)C1 ZINC000663374470 411640446 /nfs/dbraw/zinc/64/04/46/411640446.db2.gz LCYQHZSFLYIWDI-HTAVTVPLSA-N 1 0 231.336 0.380 10 0 BCAERO Cc1c[nH]c(C[NH2+]C[C@H]2CC(=O)N(C)C2)n1 ZINC000657696938 411581088 /nfs/dbraw/zinc/58/10/88/411581088.db2.gz OCPNBSVQJIDROB-SECBINFHSA-N 1 0 222.292 0.286 10 0 BCAERO Cn1cccc1C[NH2+]C[C@H]1CC(=O)N(C)C1 ZINC000657698602 411581908 /nfs/dbraw/zinc/58/19/08/411581908.db2.gz XVMKDHLVBGJABN-SNVBAGLBSA-N 1 0 221.304 0.593 10 0 BCAERO COc1cccc(C[NH2+]C2CC(CO)C2)n1 ZINC000657810599 411602352 /nfs/dbraw/zinc/60/23/52/411602352.db2.gz IKYNDMGXSNRFRP-UHFFFAOYSA-N 1 0 222.288 0.951 10 0 BCAERO C=Cn1cc(C[NH2+]C2CC(CO)C2)cn1 ZINC000657810307 411602600 /nfs/dbraw/zinc/60/26/00/411602600.db2.gz ABLVAEHYYQOOOM-UHFFFAOYSA-N 1 0 207.277 0.844 10 0 BCAERO C[C@H]1C[C@H]([NH2+]C2CC(CO)C2)CN1C1CC1 ZINC000657813148 411604184 /nfs/dbraw/zinc/60/41/84/411604184.db2.gz RGRYAMOYZRPHGJ-XKGSQUFQSA-N 1 0 224.348 0.972 10 0 BCAERO Cc1cc2c(N[C@H](C)[C@@H](C)[NH3+])nccn2n1 ZINC000381734579 411662071 /nfs/dbraw/zinc/66/20/71/411662071.db2.gz LIFTXZPAIBGNAY-RKDXNWHRSA-N 1 0 219.292 1.185 10 0 BCAERO CCOc1cc(C[C@@H](C[NH3+])CO)ccc1O ZINC000019266203 170523044 /nfs/dbraw/zinc/52/30/44/170523044.db2.gz YKFURLZDTCKNJC-JTQLQIEISA-N 1 0 225.288 0.901 10 0 BCAERO CCOc1cc(N2CC[C@H](C[NH2+]C)C2)ncn1 ZINC000090784362 170525172 /nfs/dbraw/zinc/52/51/72/170525172.db2.gz XUUAOSOVFCDUSD-SNVBAGLBSA-N 1 0 236.319 0.921 10 0 BCAERO O[C@H]1C[NH2+]C[C@@H]1CNc1nc2ccccc2s1 ZINC000420259835 411697471 /nfs/dbraw/zinc/69/74/71/411697471.db2.gz ZIIIHSDKRYDPIY-SCZZXKLOSA-N 1 0 249.339 1.289 10 0 BCAERO c1cc2c(ncnc2NC[C@@H]2CCC[NH2+]C2)[nH]1 ZINC000420176651 411701974 /nfs/dbraw/zinc/70/19/74/411701974.db2.gz QNCDDGBGTRTENO-SECBINFHSA-N 1 0 231.303 1.369 10 0 BCAERO CCOc1nccnc1N[C@H](C)CC[NH3+] ZINC000568733185 411718671 /nfs/dbraw/zinc/71/86/71/411718671.db2.gz QSKQITJDZBLHRE-MRVPVSSYSA-N 1 0 210.281 1.025 10 0 BCAERO CCOc1cccc(N(C)C[C@@H]([NH3+])COC)n1 ZINC000104303398 170581155 /nfs/dbraw/zinc/58/11/55/170581155.db2.gz RXSIWFDACHAXOW-SNVBAGLBSA-N 1 0 239.319 0.890 10 0 BCAERO CCS(=O)(=O)N(CCC[NH3+])C(C)(C)C ZINC000076611379 170613205 /nfs/dbraw/zinc/61/32/05/170613205.db2.gz JXYCNGLVQZDRRU-UHFFFAOYSA-N 1 0 222.354 0.785 10 0 BCAERO CCS(=O)(=O)c1ccc(COCC[NH3+])cc1 ZINC000077393880 170623270 /nfs/dbraw/zinc/62/32/70/170623270.db2.gz HTSQQEIEFCUJPN-UHFFFAOYSA-N 1 0 243.328 0.956 10 0 BCAERO CN(Cc1ncc[nH]1)C(=O)[C@]1(C)CCCC[NH2+]1 ZINC000133485099 411774328 /nfs/dbraw/zinc/77/43/28/411774328.db2.gz IANHZDBNQYWRKH-LBPRGKRZSA-N 1 0 236.319 0.900 10 0 BCAERO Cc1nccnc1NCC1([NH3+])CCOCC1 ZINC000630524152 411788991 /nfs/dbraw/zinc/78/89/91/411788991.db2.gz IXQGTDIDDSNUFO-UHFFFAOYSA-N 1 0 222.292 0.705 10 0 BCAERO CCOc1nccnc1N[C@@H]1CCC[NH2+]C1 ZINC000567251348 411719359 /nfs/dbraw/zinc/71/93/59/411719359.db2.gz HKXBDUWIMLLLPI-SECBINFHSA-N 1 0 222.292 1.039 10 0 BCAERO CCOc1nccnc1N[C@@H](C)C[C@@H](C)[NH3+] ZINC000578132247 411720101 /nfs/dbraw/zinc/72/01/01/411720101.db2.gz UUBKVQHRUCYKPT-BDAKNGLRSA-N 1 0 224.308 1.413 10 0 BCAERO CCOc1nccnc1N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000561267653 411720147 /nfs/dbraw/zinc/72/01/47/411720147.db2.gz PLPGYBDZCIQZSB-VHSXEESVSA-N 1 0 236.319 1.415 10 0 BCAERO CCOc1nccnc1N[C@H](C)CCC[NH3+] ZINC000576615655 411720599 /nfs/dbraw/zinc/72/05/99/411720599.db2.gz WEILJCSIVUGGOF-SECBINFHSA-N 1 0 224.308 1.415 10 0 BCAERO CCOc1nccnc1N[C@H]1CCC[NH2+]C1 ZINC000561270220 411720910 /nfs/dbraw/zinc/72/09/10/411720910.db2.gz HKXBDUWIMLLLPI-VIFPVBQESA-N 1 0 222.292 1.039 10 0 BCAERO Cc1nnc2c(N[C@@H]3CC[C@@H](C)[NH2+]C3)nccn12 ZINC000630534566 411804843 /nfs/dbraw/zinc/80/48/43/411804843.db2.gz YBHPVVCNDUOCTJ-PSASIEDQSA-N 1 0 246.318 0.985 10 0 BCAERO Cc1nnc2c(N[C@H]3CC[C@H](C[NH3+])C3)nccn12 ZINC000382484569 411805204 /nfs/dbraw/zinc/80/52/04/411805204.db2.gz YSVDOSDXGGOESD-UWVGGRQHSA-N 1 0 246.318 0.972 10 0 BCAERO C[C@@H]1CC[C@H](Nc2nccn3cnnc23)C[NH2+]1 ZINC000630533396 411837356 /nfs/dbraw/zinc/83/73/56/411837356.db2.gz PDXCHTVCJNVBFG-BDAKNGLRSA-N 1 0 232.291 0.677 10 0 BCAERO C[C@@H]1CC[C@H](Nc2ccc3nncn3n2)C[NH2+]1 ZINC000630534643 411838431 /nfs/dbraw/zinc/83/84/31/411838431.db2.gz NXUPSKPANSTIOE-BDAKNGLRSA-N 1 0 232.291 0.677 10 0 BCAERO CCc1cc(N[C@@H]2CCNC2=O)cc[nH+]1 ZINC000664135643 411867010 /nfs/dbraw/zinc/86/70/10/411867010.db2.gz UIWZTSBDPWJGID-SNVBAGLBSA-N 1 0 205.261 0.366 10 0 BCAERO CCN1CC[NH2+][C@H](c2ccnc(N)c2)C1 ZINC000616633003 411856393 /nfs/dbraw/zinc/85/63/93/411856393.db2.gz VNUARBNMVIYMHS-JTQLQIEISA-N 1 0 206.293 0.630 10 0 BCAERO CC[N@@H+]1CCOC[C@@H](c2c[nH]nc2N)C1 ZINC000616660437 411858015 /nfs/dbraw/zinc/85/80/15/411858015.db2.gz IJGANNOMQQPBGE-QMMMGPOBSA-N 1 0 210.281 0.428 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)NCC1(CO)CC1 ZINC000133740946 411928195 /nfs/dbraw/zinc/92/81/95/411928195.db2.gz LCWGCYHUCKDMIV-UWVGGRQHSA-N 1 0 226.320 0.250 10 0 BCAERO CC[C@@H](C[NH3+])C(=O)N1CCCOCC1 ZINC000061918842 170821866 /nfs/dbraw/zinc/82/18/66/170821866.db2.gz NHSMUYMNSJUMCB-VIFPVBQESA-N 1 0 200.282 0.220 10 0 BCAERO CC[C@@H]([NH3+])CNc1ccnc(C(N)=O)c1 ZINC000082579470 170865149 /nfs/dbraw/zinc/86/51/49/170865149.db2.gz SHGGMPXINRNHAS-SSDOTTSWSA-N 1 0 208.265 0.330 10 0 BCAERO CN(C[C@@H]1CCC[N@@H+]1C)CC(C)(CO)CO ZINC000133822840 411970337 /nfs/dbraw/zinc/97/03/37/411970337.db2.gz SZERMSPZZHIINX-NSHDSACASA-N 1 0 230.352 0.003 10 0 BCAERO CC[C@@H]([NH3+])c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000019842443 170870344 /nfs/dbraw/zinc/87/03/44/170870344.db2.gz OPOWKUPBLVNJET-SSDOTTSWSA-N 1 0 219.244 0.626 10 0 BCAERO Nc1n[nH]cc1C1CCN(CC[NH3+])CC1 ZINC000616619101 411975851 /nfs/dbraw/zinc/97/58/51/411975851.db2.gz CJGYAADTGPUYDJ-UHFFFAOYSA-N 1 0 209.297 0.130 10 0 BCAERO Nc1n[nH]cc1[C@H]1CCCCCN1CC[NH3+] ZINC000616624488 411977173 /nfs/dbraw/zinc/97/71/73/411977173.db2.gz OWFPOYBNXXOGIT-SNVBAGLBSA-N 1 0 223.324 0.868 10 0 BCAERO Nc1n[nH]cc1[C@@H]1CCC[N@H+](CCO)C1 ZINC000616620583 411986692 /nfs/dbraw/zinc/98/66/92/411986692.db2.gz LPVCFHZLHJKOLM-MRVPVSSYSA-N 1 0 210.281 0.164 10 0 BCAERO Nc1[nH+]ccn1-c1ncncc1Br ZINC000575564109 411956638 /nfs/dbraw/zinc/95/66/38/411956638.db2.gz CFAHYQIFJJPUOP-UHFFFAOYSA-N 1 0 240.064 1.007 10 0 BCAERO Nc1ccc([C@@H]2CCC[N@H+](CCO)C2)cn1 ZINC000616621779 411959742 /nfs/dbraw/zinc/95/97/42/411959742.db2.gz YOVZDXBLVHKKBX-LLVKDONJSA-N 1 0 221.304 0.836 10 0 BCAERO Cc1cc(NC[C@H]2CC(=O)N(C)C2)cc[nH+]1 ZINC000664456586 411963651 /nfs/dbraw/zinc/96/36/51/411963651.db2.gz GFNNRLRILKIMFU-SNVBAGLBSA-N 1 0 219.288 0.702 10 0 BCAERO CC[C@@H]1C(=O)NCCN1CC[C@@H]1CCCC[NH2+]1 ZINC000104130768 170959064 /nfs/dbraw/zinc/95/90/64/170959064.db2.gz FJMMPNOYYIJLIF-NWDGAFQWSA-N 1 0 239.363 0.729 10 0 BCAERO CC[C@@H]1CN(C(=O)[C@@H]([NH3+])COC)CCS1 ZINC000132987273 171066833 /nfs/dbraw/zinc/06/68/33/171066833.db2.gz MHNNUQNKFICSLU-BDAKNGLRSA-N 1 0 232.349 0.314 10 0 BCAERO CC[C@@H]1CN(C(=O)[C@@H]2CCC[C@H]2[NH3+])CCO1 ZINC000247074198 171068029 /nfs/dbraw/zinc/06/80/29/171068029.db2.gz YSNGJHAMRQZGSS-GMTAPVOTSA-N 1 0 226.320 0.751 10 0 BCAERO CC[C@@H]1CN(CCOC)CC[N@@H+]1C[C@@H](C)O ZINC000105826520 171081215 /nfs/dbraw/zinc/08/12/15/171081215.db2.gz ZJRCEMPGYKPRMK-VXGBXAGGSA-N 1 0 230.352 0.410 10 0 BCAERO CC[C@@H]1CN([C@]2(C[NH3+])CCSC2)CCO1 ZINC000036769492 171098090 /nfs/dbraw/zinc/09/80/90/171098090.db2.gz NDIGAPRBMAENCH-MNOVXSKESA-N 1 0 230.377 0.932 10 0 BCAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1CC(N)=O ZINC000245442474 171099948 /nfs/dbraw/zinc/09/99/48/171099948.db2.gz WJPXITRSNTWBFP-ZJUUUORDSA-N 1 0 211.309 0.030 10 0 BCAERO CC[C@@H]1COCCN1C(=O)[C@H]1CCC[NH2+]C1 ZINC000036326556 171104239 /nfs/dbraw/zinc/10/42/39/171104239.db2.gz ARZUZSALDHXGAZ-WDEREUQCSA-N 1 0 226.320 0.623 10 0 BCAERO CC[C@@H]1COCCN1C(=O)c1ccc(C[NH3+])cn1 ZINC000104211939 171104708 /nfs/dbraw/zinc/10/47/08/171104708.db2.gz CTRAINNFRMPIAS-LLVKDONJSA-N 1 0 249.314 0.791 10 0 BCAERO CC[C@@H]1SC2(CC[NH2+]CC2)NC1=O ZINC000033961733 171154412 /nfs/dbraw/zinc/15/44/12/171154412.db2.gz PTGYTOOSXXUACO-ZETCQYMHSA-N 1 0 200.307 0.708 10 0 BCAERO CO[C@H](CN(C)[C@H]1C[NH2+]C[C@@H]1O)C1CCC1 ZINC000662277513 412070061 /nfs/dbraw/zinc/07/00/61/412070061.db2.gz VMXWZFGXOBPBBR-SDDRHHMPSA-N 1 0 228.336 0.066 10 0 BCAERO CC[C@@](C)(O)C[N@H+](CCO)CC1CC1 ZINC000352491030 171177377 /nfs/dbraw/zinc/17/73/77/171177377.db2.gz NHIXVQYFIYIZSG-LLVKDONJSA-N 1 0 201.310 0.852 10 0 BCAERO CC[C@@]1(C)NC(=O)N(C[C@H](C)C[NH3+])C1=O ZINC000036677844 171209899 /nfs/dbraw/zinc/20/98/99/171209899.db2.gz GZPBULRNKFBEEY-GMSGAONNSA-N 1 0 213.281 0.302 10 0 BCAERO CC[C@H](C)[N@H+](C)C[C@@H](O)CN1CCCC1=O ZINC000305197899 171307364 /nfs/dbraw/zinc/30/73/64/171307364.db2.gz DYTLDUVIZMLJBK-WDEREUQCSA-N 1 0 228.336 0.700 10 0 BCAERO CC[C@H](C)[N@@H+]1CCC[C@](O)(C(N)=O)C1 ZINC000306972274 171317895 /nfs/dbraw/zinc/31/78/95/171317895.db2.gz UFDMOPXBZXTENN-WCBMZHEXSA-N 1 0 200.282 0.097 10 0 BCAERO CC[C@H](C)[NH+]1CCN(C[C@H]([NH2+]C)C(=O)[O-])CC1 ZINC000055070351 171319363 /nfs/dbraw/zinc/31/93/63/171319363.db2.gz UUYBNJMGXQMQPZ-QWRGUYRKSA-N 1 0 243.351 0.075 10 0 BCAERO CC[C@H](C)NC(=O)CC[NH2+]CCn1cccn1 ZINC000049314363 171322262 /nfs/dbraw/zinc/32/22/62/171322262.db2.gz FLKGOPBDPBVIOT-NSHDSACASA-N 1 0 238.335 0.778 10 0 BCAERO CC[C@H](C)NC(=O)CC[NH2+]CC(=O)NC(C)C ZINC000038014776 171322682 /nfs/dbraw/zinc/32/26/82/171322682.db2.gz GRMDGNLWXMRFGQ-JTQLQIEISA-N 1 0 243.351 0.405 10 0 BCAERO CC[C@H](C)NC(=O)CN1CC[C@H](C)C[C@@H]1C[NH3+] ZINC000111679921 171324410 /nfs/dbraw/zinc/32/44/10/171324410.db2.gz UWUQVRBXUXSBFQ-SDDRHHMPSA-N 1 0 241.379 0.960 10 0 BCAERO CC[C@H](C)[NH2+]CC(=O)N1CCCC[C@@H]1C(N)=O ZINC000037495622 171338864 /nfs/dbraw/zinc/33/88/64/171338864.db2.gz NZYDCGNJYCEDSC-VHSXEESVSA-N 1 0 241.335 0.241 10 0 BCAERO CC[C@H](C)[NH2+]CC(=O)N[C@H]1C[NH+]2CCC1CC2 ZINC000037394600 171339361 /nfs/dbraw/zinc/33/93/61/171339361.db2.gz NYBQKQQHRGCXGP-JQWIXIFHSA-N 1 0 239.363 0.585 10 0 BCAERO CC[C@H](C)[NH2+]CC(=O)N1CCOCC1 ZINC000020036726 171339601 /nfs/dbraw/zinc/33/96/01/171339601.db2.gz MQSQLMFGGJLEEU-VIFPVBQESA-N 1 0 200.282 0.233 10 0 BCAERO CC[C@H](C)[NH2+]CC(=O)N1CCOC[C@@H]1C ZINC000037479786 171339858 /nfs/dbraw/zinc/33/98/58/171339858.db2.gz ADBGKDYQICRDFX-UWVGGRQHSA-N 1 0 214.309 0.622 10 0 BCAERO CC[C@H](C)[NH2+][C@@]1(C(N)=O)CCSC1 ZINC000038064867 171347154 /nfs/dbraw/zinc/34/71/54/171347154.db2.gz WEWSWMUSFAHWSH-CBAPKCEASA-N 1 0 202.323 0.736 10 0 BCAERO CC[C@H](C)[NH2+][C@H](C)C(=O)NCCCOC ZINC000034938606 171347702 /nfs/dbraw/zinc/34/77/02/171347702.db2.gz OLEGPUMSCXUJFW-VHSXEESVSA-N 1 0 216.325 0.916 10 0 BCAERO CC[C@H](C)[C@@H]([NH3+])C(=O)N[C@@H](C)CCO ZINC000133223049 171371518 /nfs/dbraw/zinc/37/15/18/171371518.db2.gz ZTRSBYMNENEOAF-XHNCKOQMSA-N 1 0 202.298 0.247 10 0 BCAERO CC[C@H](C)[C@H]([NH3+])C(=O)N1CCCC[C@@H]1C(N)=O ZINC000037799439 171394523 /nfs/dbraw/zinc/39/45/23/171394523.db2.gz VSINVIPOFZXPSD-AEJSXWLSSA-N 1 0 241.335 0.226 10 0 BCAERO CC[C@H](C)[C@H]([NH3+])C(=O)N1CCNC(=O)[C@@H]1CC ZINC000104144005 171394559 /nfs/dbraw/zinc/39/45/59/171394559.db2.gz UWANQXSDGJJHLW-GUBZILKMSA-N 1 0 241.335 0.097 10 0 BCAERO CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@@H](O)C1CC1 ZINC000070889758 171395054 /nfs/dbraw/zinc/39/50/54/171395054.db2.gz ZSSRILBODFVCOH-SFGNSQDASA-N 1 0 214.309 0.247 10 0 BCAERO CC[C@H](C[NH2+]C)[C@@H]1CCS(=O)(=O)C1 ZINC000052949704 171438001 /nfs/dbraw/zinc/43/80/01/171438001.db2.gz ZRAICSXIAYXRRP-RKDXNWHRSA-N 1 0 205.323 0.667 10 0 BCAERO CC[C@H]([NH2+]C)C(=O)N[C@H](C)[C@@H]1CCCO1 ZINC000662377461 412129188 /nfs/dbraw/zinc/12/91/88/412129188.db2.gz HLBXIHQGZLSQFB-UTLUCORTSA-N 1 0 214.309 0.668 10 0 BCAERO CC[C@H](COC)[NH2+][C@H]1CCC(=O)N[C@H]1C ZINC000309165308 171462196 /nfs/dbraw/zinc/46/21/96/171462196.db2.gz ISKRINDZAMUWIV-AEJSXWLSSA-N 1 0 214.309 0.668 10 0 BCAERO COC[C@H](CC[NH2+][C@H](C)[C@H]1CC[NH2+]C1)OC ZINC000665235773 412175140 /nfs/dbraw/zinc/17/51/40/412175140.db2.gz ZRKRYBUZCBIHTG-WOPDTQHZSA-N 1 0 230.352 0.626 10 0 BCAERO CC[C@H]([NH2+]C)C(=O)N[C@@H]1CCC[C@@H](O)C1 ZINC000662495103 412194087 /nfs/dbraw/zinc/19/40/87/412194087.db2.gz HOZUZORHODLNOV-BBBLOLIVSA-N 1 0 214.309 0.404 10 0 BCAERO O=C(C[C@H]1CC[NH2+]C1)N[C@@H]1CCC[C@H](O)C1 ZINC000662495358 412195105 /nfs/dbraw/zinc/19/51/05/412195105.db2.gz KMXAELGVYNJVJA-MXWKQRLJSA-N 1 0 226.320 0.406 10 0 BCAERO C[C@H](C[NH3+])CNc1ncnc2[nH]ccc21 ZINC000420216872 412196336 /nfs/dbraw/zinc/19/63/36/412196336.db2.gz NGGXTLYJQBFVME-SSDOTTSWSA-N 1 0 205.265 0.965 10 0 BCAERO CN(C)c1nccc(N[C@@H]2CC[C@@H](C[NH3+])C2)n1 ZINC000382408877 412200003 /nfs/dbraw/zinc/20/00/03/412200003.db2.gz CNSBVZUKQDLONI-NXEZZACHSA-N 1 0 235.335 1.082 10 0 BCAERO C[C@@H]1[NH2+]CCC[C@@H]1Nc1ccc(C#N)nn1 ZINC000396892342 412162125 /nfs/dbraw/zinc/16/21/25/412162125.db2.gz BYLFDBXWXGVFSH-WPRPVWTQSA-N 1 0 217.276 0.901 10 0 BCAERO [NH3+]C[C@@H]1CCCN1C(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC000662426140 412165670 /nfs/dbraw/zinc/16/56/70/412165670.db2.gz SZQIDBIICIJXLK-ZDCRXTMVSA-N 1 0 208.305 0.982 10 0 BCAERO [NH3+][C@@H]1C[C@H](N[C@@H]2CCNC2=O)c2ccccc21 ZINC000665228899 412166157 /nfs/dbraw/zinc/16/61/57/412166157.db2.gz KFMJROIAFGJNQK-UTUOFQBUSA-N 1 0 231.299 0.609 10 0 BCAERO C[C@H]1CC[C@H](Nc2nccn3cnnc23)C[NH2+]1 ZINC000630533399 412262234 /nfs/dbraw/zinc/26/22/34/412262234.db2.gz PDXCHTVCJNVBFG-IUCAKERBSA-N 1 0 232.291 0.677 10 0 BCAERO CC[C@H](O)C[NH2+][C@H]1CCC(=O)N[C@@H]1C ZINC000336664597 171577989 /nfs/dbraw/zinc/57/79/89/171577989.db2.gz UUHVWTJUMCBDCR-VGMNWLOBSA-N 1 0 200.282 0.014 10 0 BCAERO CNC(=O)c1ccc(N[C@H]2CC[C@@H](C)[NH2+]C2)nn1 ZINC000630531601 412289889 /nfs/dbraw/zinc/28/98/89/412289889.db2.gz BSRAOSGTRIUKFK-BDAKNGLRSA-N 1 0 249.318 0.389 10 0 BCAERO O=C([C@H]1CC[NH2+]C1)N1CC[C@@H]2COC[C@@H]2C1 ZINC000662710774 412274559 /nfs/dbraw/zinc/27/45/59/412274559.db2.gz JLVZNPYBMVPQOS-AXFHLTTASA-N 1 0 224.304 0.091 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)N1CC[C@H]2COC[C@@H]2C1 ZINC000662710121 412278164 /nfs/dbraw/zinc/27/81/64/412278164.db2.gz GQYVGJMGDAESLG-SDDRHHMPSA-N 1 0 240.347 0.855 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC[C@@H]2COC[C@@H]2C1 ZINC000662711807 412279742 /nfs/dbraw/zinc/27/97/42/412279742.db2.gz PAIBMZQHGWNSTK-WISYIIOYSA-N 1 0 238.331 0.337 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N1CCC[C@H](C2CCC2)C1 ZINC000662712178 412280107 /nfs/dbraw/zinc/28/01/07/412280107.db2.gz DYIKEJXYHXPIGA-NWDGAFQWSA-N 1 0 240.347 0.999 10 0 BCAERO CC1CC(C(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC000662718428 412282005 /nfs/dbraw/zinc/28/20/05/412282005.db2.gz OAADGJWRPUCWJM-UHFFFAOYSA-N 1 0 208.305 0.901 10 0 BCAERO Cn1cc([C@@H]2CCCN2C(=O)[C@H]2C[C@H]([NH3+])C2)cn1 ZINC000662718423 412282082 /nfs/dbraw/zinc/28/20/82/412282082.db2.gz NXLDHBDBLXOFBU-DLOVCJGASA-N 1 0 248.330 0.821 10 0 BCAERO CNC(=O)c1ccc(N[C@H]2CC[C@H](C)[NH2+]C2)nn1 ZINC000630531606 412289539 /nfs/dbraw/zinc/28/95/39/412289539.db2.gz BSRAOSGTRIUKFK-IUCAKERBSA-N 1 0 249.318 0.389 10 0 BCAERO C[C@H]1CN(C(=O)c2c(Cl)cnn2C)C[C@@H]1[NH3+] ZINC000662816434 412306619 /nfs/dbraw/zinc/30/66/19/412306619.db2.gz ZZZWCPDAPIVWPB-XPUUQOCRSA-N 1 0 242.710 0.493 10 0 BCAERO [NH3+][C@H]1CC[C@H](C(=O)NCCOCCF)C1 ZINC000663002045 412366266 /nfs/dbraw/zinc/36/62/66/412366266.db2.gz AVRLOPCKANRRFU-IUCAKERBSA-N 1 0 218.272 0.216 10 0 BCAERO C[NH2+][C@H](C)C(=O)N1CCO[C@@](C)(C(F)F)C1 ZINC000663001697 412366459 /nfs/dbraw/zinc/36/64/59/412366459.db2.gz IBJUUFGTQLQYRA-GMSGAONNSA-N 1 0 236.262 0.477 10 0 BCAERO CO[C@H]1CCCN(C(=O)[C@@H]2CC[NH2+]C2)CC1 ZINC000662835087 412314974 /nfs/dbraw/zinc/31/49/74/412314974.db2.gz KZOAISKKSKMJRA-MNOVXSKESA-N 1 0 226.320 0.623 10 0 BCAERO CC(C)[C@@H](CO)NC(=O)[C@H]1CC(F)(F)CN1 ZINC000662834409 412315786 /nfs/dbraw/zinc/31/57/86/412315786.db2.gz GZRAEIVHGXZMIY-HTQZYQBOSA-N 1 0 236.262 0.117 10 0 BCAERO CC(C)[C@H]([NH3+])CNc1ncnc2[nH]ccc21 ZINC000420210284 412315888 /nfs/dbraw/zinc/31/58/88/412315888.db2.gz WCNRDWSDIBKZHI-SECBINFHSA-N 1 0 219.292 1.353 10 0 BCAERO [NH3+]C1CCC(C(=O)N[C@@H](CO)C2CCC2)CC1 ZINC000662849848 412321696 /nfs/dbraw/zinc/32/16/96/412321696.db2.gz OKGAUUPHOOFMKS-MCIGGMRASA-N 1 0 240.347 0.781 10 0 BCAERO C[C@]1(C(=O)N[C@@H](CO)C2CCC2)CCCC[NH2+]1 ZINC000662852435 412323099 /nfs/dbraw/zinc/32/30/99/412323099.db2.gz KGTWGPJHSZZMRW-WCQYABFASA-N 1 0 240.347 0.796 10 0 BCAERO C[C@]1(C(=O)N[C@H](CO)C2CCC2)CCCC[NH2+]1 ZINC000662852433 412323108 /nfs/dbraw/zinc/32/31/08/412323108.db2.gz KGTWGPJHSZZMRW-DGCLKSJQSA-N 1 0 240.347 0.796 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)NCCOCCF ZINC000663003097 412366781 /nfs/dbraw/zinc/36/67/81/412366781.db2.gz JPUVJCOSHNXZRW-VHSXEESVSA-N 1 0 232.299 0.464 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@H](CO)C1CCC1 ZINC000662851532 412323334 /nfs/dbraw/zinc/32/33/34/412323334.db2.gz BNDZZMJFSZBEKX-FBIMIBRVSA-N 1 0 226.320 0.119 10 0 BCAERO CC(C)C[C@@H]([NH3+])C(=O)NC/C=C/CO ZINC000662854510 412323987 /nfs/dbraw/zinc/32/39/87/412323987.db2.gz CENXINZVEOAAHY-CDAZIORVSA-N 1 0 200.282 0.025 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)NC/C=C/CO ZINC000662856049 412325106 /nfs/dbraw/zinc/32/51/06/412325106.db2.gz MFKJHSZSMDKAEF-YBNRLKPGSA-N 1 0 212.293 0.026 10 0 BCAERO [NH3+][C@@H]1CCC[C@H](C(=O)NC/C=C\CO)C1 ZINC000662856303 412325279 /nfs/dbraw/zinc/32/52/79/412325279.db2.gz PXRFTKTXFSGEAT-MTVLHHSESA-N 1 0 212.293 0.169 10 0 BCAERO CC[C@H](C)CCNC(=O)[C@@H]1C[NH2+]CCOC1 ZINC000662855170 412325440 /nfs/dbraw/zinc/32/54/40/412325440.db2.gz RSDHZPNSTOPLAN-WDEREUQCSA-N 1 0 228.336 0.775 10 0 BCAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N[C@H](CO)C1CCC1 ZINC000662855131 412325642 /nfs/dbraw/zinc/32/56/42/412325642.db2.gz VRRKOSRDZQORHO-ZMLRMANQSA-N 1 0 240.347 0.652 10 0 BCAERO O=C(C[C@@H]1CCC[NH2+]C1)N[C@H](CO)C1CCC1 ZINC000662855735 412325699 /nfs/dbraw/zinc/32/56/99/412325699.db2.gz ZEJAVZKHXQFKDK-CMPLNLGQSA-N 1 0 240.347 0.653 10 0 BCAERO C[C@@]1(C(=O)NC/C=C\CO)CCCC[NH2+]1 ZINC000662856019 412326001 /nfs/dbraw/zinc/32/60/01/412326001.db2.gz MCESVAPMMADZRW-WYGGZMRJSA-N 1 0 212.293 0.183 10 0 BCAERO CCn1ccc(NC(=O)[C@H]2C[NH2+]CCOC2)n1 ZINC000662860641 412328035 /nfs/dbraw/zinc/32/80/35/412328035.db2.gz NWKLZFXYRLPKDY-VIFPVBQESA-N 1 0 238.291 0.078 10 0 BCAERO C[C@@]1(CNC(=O)[C@@H]2C[NH2+]CCOC2)CC1(F)F ZINC000662875396 412331577 /nfs/dbraw/zinc/33/15/77/412331577.db2.gz ORGXOSKUPGRVPS-SCZZXKLOSA-N 1 0 248.273 0.384 10 0 BCAERO CCC[C@@H]1C[C@H]1NC(=O)COC1(C)C[NH2+]C1 ZINC000219039501 412336070 /nfs/dbraw/zinc/33/60/70/412336070.db2.gz ZTDIOJPNMZZWIR-NXEZZACHSA-N 1 0 226.320 0.670 10 0 BCAERO CC(F)(F)CNC(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000662898750 412339643 /nfs/dbraw/zinc/33/96/43/412339643.db2.gz QYCSHCSPAKESJK-UHFFFAOYSA-N 1 0 249.305 0.442 10 0 BCAERO COC(=O)c1ccc(N[C@@H](C)CC[NH3+])nc1C ZINC000379974160 412342947 /nfs/dbraw/zinc/34/29/47/412342947.db2.gz NSRQQAGZWIPSSN-QMMMGPOBSA-N 1 0 237.303 1.326 10 0 BCAERO COC(=O)c1ccc(N[C@H](C)[C@H](C)[NH3+])nc1C ZINC000381362694 412344096 /nfs/dbraw/zinc/34/40/96/412344096.db2.gz KSSNVWUBQNDFIZ-JGVFFNPUSA-N 1 0 237.303 1.324 10 0 BCAERO O=C(NCC1=CCCC1)[C@@H]1C[NH2+]CCOC1 ZINC000662916510 412344552 /nfs/dbraw/zinc/34/45/52/412344552.db2.gz VEHVRXIRPLJQNU-LLVKDONJSA-N 1 0 224.304 0.449 10 0 BCAERO CC(C)[C@@H](NC(=O)[C@@H]1C[NH2+]CCOC1)C1CC1 ZINC000662917544 412344929 /nfs/dbraw/zinc/34/49/29/412344929.db2.gz USVBLRRVHUWOQH-VXGBXAGGSA-N 1 0 240.347 0.773 10 0 BCAERO CC1(C)C[C@@]1(C)NC(=O)[C@@H]1C[NH2+]CCOC1 ZINC000662917605 412345152 /nfs/dbraw/zinc/34/51/52/412345152.db2.gz VYKAYEOWCPPFNH-BXKDBHETSA-N 1 0 226.320 0.527 10 0 BCAERO CC(C)CC1(NC(=O)[C@@H]2C[NH2+]CCOC2)CC1 ZINC000662924994 412347047 /nfs/dbraw/zinc/34/70/47/412347047.db2.gz CWOPNNYAHDAAHZ-LLVKDONJSA-N 1 0 240.347 0.917 10 0 BCAERO CC(C)C(=O)N(C)[C@@H](C[NH3+])C(F)(F)F ZINC000662976846 412361417 /nfs/dbraw/zinc/36/14/17/412361417.db2.gz QSDXYXHNYBLHMK-LURJTMIESA-N 1 0 212.215 0.990 10 0 BCAERO C[C@@H]1C[C@H]1C(=O)N(C)[C@H](C[NH3+])C(F)(F)F ZINC000662976745 412361584 /nfs/dbraw/zinc/36/15/84/412361584.db2.gz PZVVYJCAWIGSHK-FSDSQADBSA-N 1 0 224.226 0.990 10 0 BCAERO CN(C(=O)c1cc[nH]n1)[C@@H](C[NH3+])C(F)(F)F ZINC000662978895 412362105 /nfs/dbraw/zinc/36/21/05/412362105.db2.gz JIRUUKNLKBYLDU-LURJTMIESA-N 1 0 236.197 0.371 10 0 BCAERO [NH3+]C1(CNc2ncnc3[nH]ccc32)CCOCC1 ZINC000630523812 412296946 /nfs/dbraw/zinc/29/69/46/412296946.db2.gz DHQULZZNWFBRGY-UHFFFAOYSA-N 1 0 247.302 0.878 10 0 BCAERO C[NH2+][C@@H](C)CNc1ccc(C(=O)OC)c(C)n1 ZINC000379715942 412298008 /nfs/dbraw/zinc/29/80/08/412298008.db2.gz LTSJHWNCFPSSKD-QMMMGPOBSA-N 1 0 237.303 1.196 10 0 BCAERO [NH3+]CCN1CCCC[C@H](Nc2cc[nH]n2)C1 ZINC000616605008 412299005 /nfs/dbraw/zinc/29/90/05/412299005.db2.gz VPVPVISZMWUTCS-JTQLQIEISA-N 1 0 223.324 0.635 10 0 BCAERO [NH3+]CCCOCCNc1ncc(F)cn1 ZINC000630535765 412299329 /nfs/dbraw/zinc/29/93/29/412299329.db2.gz ZXBDXUDFIIDWMA-UHFFFAOYSA-N 1 0 214.244 0.393 10 0 BCAERO C[C@H](CCO)[NH2+]C[C@@H](O)COCc1ccco1 ZINC000133026836 412391497 /nfs/dbraw/zinc/39/14/97/412391497.db2.gz RSCKQRZPPODUDJ-GHMZBOCLSA-N 1 0 243.303 0.518 10 0 BCAERO O=c1[nH]ncc(NCC23CC(C2)C[NH2+]3)c1Cl ZINC000663273766 412404439 /nfs/dbraw/zinc/40/44/39/412404439.db2.gz HZAFRKJDIXWCSW-UHFFFAOYSA-N 1 0 240.694 1.000 10 0 BCAERO c1nnc2ccc(NCC34CC(C3)C[NH2+]4)nn12 ZINC000663273999 412404580 /nfs/dbraw/zinc/40/45/80/412404580.db2.gz JRVQIYYUZMJFPL-UHFFFAOYSA-N 1 0 230.275 0.288 10 0 BCAERO CCc1nsc(NC[C@@H]2C[NH2+]C[C@@H]2O)n1 ZINC000663273092 412404690 /nfs/dbraw/zinc/40/46/90/412404690.db2.gz WRJQBDVEUOVABA-BQBZGAKWSA-N 1 0 228.321 0.093 10 0 BCAERO CCOc1cncc(N[C@@H](C)C[NH2+]C)n1 ZINC000663278018 412407375 /nfs/dbraw/zinc/40/73/75/412407375.db2.gz BGHOVZXTRJSMDM-QMMMGPOBSA-N 1 0 210.281 0.895 10 0 BCAERO C[NH2+]C[C@@H](C)Nc1nccn2c(C)nnc12 ZINC000663278881 412407513 /nfs/dbraw/zinc/40/75/13/412407513.db2.gz NSOVFKITZQXBCD-SSDOTTSWSA-N 1 0 220.280 0.453 10 0 BCAERO C[NH2+]C[C@H](C)Nc1nc(C)cc(OC)n1 ZINC000663278172 412407608 /nfs/dbraw/zinc/40/76/08/412407608.db2.gz DCGLTFZTBDJTKQ-QMMMGPOBSA-N 1 0 210.281 0.813 10 0 BCAERO [NH3+][C@H]1CC[C@@H](C(=O)NCC2(CO)CC2)C1 ZINC000133101875 412409849 /nfs/dbraw/zinc/40/98/49/412409849.db2.gz NJUDTTWNAUKPSN-BDAKNGLRSA-N 1 0 212.293 0.003 10 0 BCAERO [NH3+][C@H]1CCC[C@H](C(=O)NCC2(CO)CC2)C1 ZINC000133103725 412411379 /nfs/dbraw/zinc/41/13/79/412411379.db2.gz GITWULMYHCDPQY-UWVGGRQHSA-N 1 0 226.320 0.393 10 0 BCAERO CCc1nc(CN(C(C)=O)[C@H]2CC[NH2+]C2)no1 ZINC000083232681 171970552 /nfs/dbraw/zinc/97/05/52/171970552.db2.gz WCPLHSSJPUVSBT-VIFPVBQESA-N 1 0 238.291 0.342 10 0 BCAERO CCc1nccn1[C@@H](C[NH3+])c1cnn(C)c1 ZINC000043232933 172028613 /nfs/dbraw/zinc/02/86/13/172028613.db2.gz ICJPDBAJUKEDDE-JTQLQIEISA-N 1 0 219.292 0.727 10 0 BCAERO CCc1ncnc(N2CC[C@@H]([NH2+]C)C2)c1F ZINC000234180450 172031106 /nfs/dbraw/zinc/03/11/06/172031106.db2.gz RGDRJUNOYPIFPC-MRVPVSSYSA-N 1 0 224.283 0.976 10 0 BCAERO CCc1nn(C)cc1[C@H]1[C@H](C[NH3+])CC[N@@H+]1C ZINC000083040063 172044226 /nfs/dbraw/zinc/04/42/26/172044226.db2.gz JWTQRFVPBQQKOK-JOYOIKCWSA-N 1 0 222.336 0.934 10 0 BCAERO CCn1c(C)nnc1CN1CC[C@@H](CCO)C1 ZINC000336681504 172139081 /nfs/dbraw/zinc/13/90/81/172139081.db2.gz CVIVNPZAEIWENF-NSHDSACASA-N 1 0 238.335 0.811 10 0 BCAERO CCn1c(C)nnc1CN1CC[C@H](CCO)C1 ZINC000336681503 172139405 /nfs/dbraw/zinc/13/94/05/172139405.db2.gz CVIVNPZAEIWENF-LLVKDONJSA-N 1 0 238.335 0.811 10 0 BCAERO CCn1cc(C(=O)N2CC[C@H]([NH+](C)C)C2)cn1 ZINC000114328073 172152098 /nfs/dbraw/zinc/15/20/98/172152098.db2.gz CKOBDUPYYAETMJ-NSHDSACASA-N 1 0 236.319 0.679 10 0 BCAERO CCn1cc(C[NH2+][C@@H]2CCCNC2=O)cn1 ZINC000050539821 172173562 /nfs/dbraw/zinc/17/35/62/172173562.db2.gz YATGFXFTAYZVJK-SNVBAGLBSA-N 1 0 222.292 0.271 10 0 BCAERO O=C(c1ncc[nH]1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000383462702 487624280 /nfs/dbraw/zinc/62/42/80/487624280.db2.gz HMGOKNLIZKZJHN-SECBINFHSA-N 1 0 220.276 0.330 10 0 BCAERO CCn1cccc1C(=O)N1CC[NH2+]CC1 ZINC000037869110 172203437 /nfs/dbraw/zinc/20/34/37/172203437.db2.gz YPYUWXQAZASNRO-UHFFFAOYSA-N 1 0 207.277 0.553 10 0 BCAERO CCn1ccnc1N(C)CCN1CC[NH2+]CC1 ZINC000071151081 172226710 /nfs/dbraw/zinc/22/67/10/172226710.db2.gz IANCCHRJUVMJII-UHFFFAOYSA-N 1 0 237.351 0.244 10 0 BCAERO CCn1cncc1C[N@@H+]1CC[C@@H](CO)C1 ZINC000019578580 172233108 /nfs/dbraw/zinc/23/31/08/172233108.db2.gz QGCMQGKQLPISAO-SNVBAGLBSA-N 1 0 209.293 0.717 10 0 BCAERO CN(C(=O)CC1CCCC1)[C@@H]1C[NH2+]C[C@H]1O ZINC000037865212 172302051 /nfs/dbraw/zinc/30/20/51/172302051.db2.gz QJJKLQNUNOXFCJ-GHMZBOCLSA-N 1 0 226.320 0.358 10 0 BCAERO CN(C(=O)C[NH2+][C@@H]1CCCC[C@@H]1O)C1CC1 ZINC000052015114 172309476 /nfs/dbraw/zinc/30/94/76/172309476.db2.gz AMICXBLMVMXQJC-MNOVXSKESA-N 1 0 226.320 0.500 10 0 BCAERO CN(C(=O)[C@@H]1CCC[C@@H]1C[NH3+])[C@H]1CCOC1 ZINC000133905961 172327561 /nfs/dbraw/zinc/32/75/61/172327561.db2.gz OTAYULSNMLWJON-OUAUKWLOSA-N 1 0 226.320 0.609 10 0 BCAERO CN(C(=O)[C@H]1CCCOC1)[C@@H]1CCC[NH2+]C1 ZINC000054768764 172333632 /nfs/dbraw/zinc/33/36/32/172333632.db2.gz YPFYWSPDUKQZDJ-WDEREUQCSA-N 1 0 226.320 0.623 10 0 BCAERO CN(C(=O)[C@H]1CCCO1)C(C)(C)C[NH3+] ZINC000082638758 172334102 /nfs/dbraw/zinc/33/41/02/172334102.db2.gz GFUVUFAQEMZJRK-MRVPVSSYSA-N 1 0 200.282 0.361 10 0 BCAERO CN(C(=O)[C@H]1OCCc2ccccc21)C1C[NH2+]C1 ZINC000090289768 172336026 /nfs/dbraw/zinc/33/60/26/172336026.db2.gz YAWNMQZKTZKOAE-ZDUSSCGKSA-N 1 0 246.310 0.731 10 0 BCAERO CN(C(=O)c1cc[nH]n1)C1CC[NH2+]CC1 ZINC000062778117 172338776 /nfs/dbraw/zinc/33/87/76/172338776.db2.gz GMHRVBDXSRXCMZ-UHFFFAOYSA-N 1 0 208.265 0.234 10 0 BCAERO CN(C(=O)c1ccc2c(c1)OCCO2)C1C[NH2+]C1 ZINC000090289825 172341154 /nfs/dbraw/zinc/34/11/54/172341154.db2.gz YZCCYRTYBGBUGX-UHFFFAOYSA-N 1 0 248.282 0.502 10 0 BCAERO CN(C(=O)c1cccc(O)c1)[C@@H]1CC[NH2+]C1 ZINC000037469793 172342039 /nfs/dbraw/zinc/34/20/39/172342039.db2.gz HZPASKOOGYYIGU-SNVBAGLBSA-N 1 0 220.272 0.826 10 0 BCAERO CN(C(=O)c1ccon1)C1CC[NH2+]CC1 ZINC000044587168 172345659 /nfs/dbraw/zinc/34/56/59/172345659.db2.gz KXKZOIJRDINIJJ-UHFFFAOYSA-N 1 0 209.249 0.499 10 0 BCAERO CN(C)C(=O)C1CCN(C(=O)CCC[NH3+])CC1 ZINC000037810393 172354417 /nfs/dbraw/zinc/35/44/17/172354417.db2.gz AQRFIPJQVDXNCV-UHFFFAOYSA-N 1 0 241.335 0.052 10 0 BCAERO CN(C)C(=O)CCNC(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000055089224 172358995 /nfs/dbraw/zinc/35/89/95/172358995.db2.gz BYNFLZVBIKGGAX-UWVGGRQHSA-N 1 0 241.335 0.098 10 0 BCAERO CN(C)C(=O)CCNC(=O)CC[NH2+]C(C)(C)C ZINC000037751324 172359108 /nfs/dbraw/zinc/35/91/08/172359108.db2.gz VEKOVDGIGKYIJY-UHFFFAOYSA-N 1 0 243.351 0.359 10 0 BCAERO CN(C)C(=O)CN(C)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000040989222 172363095 /nfs/dbraw/zinc/36/30/95/172363095.db2.gz DLPKURLNKRVEMM-VHSXEESVSA-N 1 0 213.325 0.276 10 0 BCAERO CN(C)C(=O)CN(C)[C@H]1CCCC[C@@H]1[NH3+] ZINC000040989225 172363522 /nfs/dbraw/zinc/36/35/22/172363522.db2.gz DLPKURLNKRVEMM-UWVGGRQHSA-N 1 0 213.325 0.276 10 0 BCAERO CN(C)C(=O)Cn1cc2c(n1)[C@H]([NH3+])CCC2 ZINC000095829554 172375200 /nfs/dbraw/zinc/37/52/00/172375200.db2.gz QJUITFQNUXABPM-SECBINFHSA-N 1 0 222.292 0.307 10 0 BCAERO CN(C)C(=O)[C@@H]1C[NH2+]CCN1Cc1ccccc1 ZINC000084211818 172384625 /nfs/dbraw/zinc/38/46/25/172384625.db2.gz VCGWIZPBKSVRIF-ZDUSSCGKSA-N 1 0 247.342 0.549 10 0 BCAERO CN(C)C(=O)c1cc(N(C)[C@@H]2CC[NH2+]C2)ccn1 ZINC000071311723 172388934 /nfs/dbraw/zinc/38/89/34/172388934.db2.gz OMCJNXDWEMFRJA-LLVKDONJSA-N 1 0 248.330 0.582 10 0 BCAERO CN(C)C(=O)c1cc(N[C@@H]2C[C@H]2[NH3+])ccn1 ZINC000036267876 172389065 /nfs/dbraw/zinc/38/90/65/172389065.db2.gz CBFGHSCGTOOOLU-RKDXNWHRSA-N 1 0 220.276 0.295 10 0 BCAERO CN(C)C(=O)c1nc2c(s1)CC[NH2+]CC2 ZINC000096147019 172393753 /nfs/dbraw/zinc/39/37/53/172393753.db2.gz QBDGHWAGEBSMMF-UHFFFAOYSA-N 1 0 225.317 0.533 10 0 BCAERO C[NH+](C)C1CCN(C(=O)c2cc[nH]c(=O)c2)CC1 ZINC000157088459 172406043 /nfs/dbraw/zinc/40/60/43/172406043.db2.gz DWHRWJVIFRYTTK-UHFFFAOYSA-N 1 0 249.314 0.541 10 0 BCAERO CCCN1CC[C@@H]([NH2+]CC(C)(C)O)C1 ZINC000328172312 487624742 /nfs/dbraw/zinc/62/47/42/487624742.db2.gz KKENNVAXVDAPFD-SNVBAGLBSA-N 1 0 200.326 0.831 10 0 BCAERO C[NH+](C)CCCNc1ncccc1C(N)=O ZINC000020546884 172444034 /nfs/dbraw/zinc/44/40/34/172444034.db2.gz IVSHUWSCKBPBFX-UHFFFAOYSA-N 1 0 222.292 0.544 10 0 BCAERO O[C@@H]1CCCC[C@H]1[NH2+]C1COCCOC1 ZINC000309032207 487624796 /nfs/dbraw/zinc/62/47/96/487624796.db2.gz CLHUEXXHQDEWJH-GHMZBOCLSA-N 1 0 215.293 0.295 10 0 BCAERO C[NH+](C)[C@@H]1CC[C@@H](NS(=O)(=O)C2CC2)C1 ZINC000123486433 172528746 /nfs/dbraw/zinc/52/87/46/172528746.db2.gz MFVZUYCXFLKVPR-RKDXNWHRSA-N 1 0 232.349 0.551 10 0 BCAERO CN(C1CC1)S(=O)(=O)C[C@@H]1CCC[NH2+]1 ZINC000049642878 172593392 /nfs/dbraw/zinc/59/33/92/172593392.db2.gz CIMCPLJKTBADFM-QMMMGPOBSA-N 1 0 218.322 0.162 10 0 BCAERO CN(CC(=O)NC1CC1)[C@H]1CCCC[C@@H]1[NH3+] ZINC000042691920 172608290 /nfs/dbraw/zinc/60/82/90/172608290.db2.gz OYWIIRZNVTXANK-QWRGUYRKSA-N 1 0 225.336 0.467 10 0 BCAERO CN(CC(=O)NC1CC1)c1cc[nH+]cc1N ZINC000036131393 172610075 /nfs/dbraw/zinc/61/00/75/172610075.db2.gz ISTAXUOZDBDXAN-UHFFFAOYSA-N 1 0 220.276 0.379 10 0 BCAERO CN(CCO)C(=O)CC1CCC([NH3+])CC1 ZINC000055125973 172748292 /nfs/dbraw/zinc/74/82/92/172748292.db2.gz CXIOZXHBVABYJS-UHFFFAOYSA-N 1 0 214.309 0.345 10 0 BCAERO CN(CCO)C(=O)[C@](C)([NH3+])c1ccccc1 ZINC000052882147 172750675 /nfs/dbraw/zinc/75/06/75/172750675.db2.gz PJAZRXHOCIDGFU-GFCCVEGCSA-N 1 0 222.288 0.311 10 0 BCAERO CN(CCc1ccncc1)C(=O)C1(C[NH3+])CC1 ZINC000077366601 172788653 /nfs/dbraw/zinc/78/86/53/172788653.db2.gz IWEFIQJNVNKLJA-UHFFFAOYSA-N 1 0 233.315 0.821 10 0 BCAERO CN1CCCC[C@@H]1C[NH2+][C@@H]1CCCNC1=O ZINC000054243853 173004875 /nfs/dbraw/zinc/00/48/75/173004875.db2.gz XSMAKMYJVNOYDX-GHMZBOCLSA-N 1 0 225.336 0.339 10 0 BCAERO C[N@@H+]1CCCC[C@H]1CCN1CCO[C@H](CO)C1 ZINC000126890971 173006624 /nfs/dbraw/zinc/00/66/24/173006624.db2.gz FWJYCPMOYAGLKY-STQMWFEESA-N 1 0 242.363 0.554 10 0 BCAERO CN1CCCC[C@H]1C[NH2+]Cc1cn[nH]c1 ZINC000054243272 173009640 /nfs/dbraw/zinc/00/96/40/173009640.db2.gz KOTHEPWBTCUQKF-NSHDSACASA-N 1 0 208.309 0.984 10 0 BCAERO CN1CCCC[C@H]1C[NH2+]C1CCS(=O)CC1 ZINC000044560790 173009978 /nfs/dbraw/zinc/00/99/78/173009978.db2.gz HTBACCPPMUQJGZ-BGMSHATGSA-N 1 0 244.404 0.971 10 0 BCAERO C[N@@H+]1CCC[C@@]12CCN(c1nnco1)C2 ZINC000034116493 173039195 /nfs/dbraw/zinc/03/91/95/173039195.db2.gz URAOQLKOLHHMIM-JTQLQIEISA-N 1 0 208.265 0.744 10 0 BCAERO C[N@@H+]1CCC[C@H](CNC(=O)c2cc(N)ccn2)C1 ZINC000050708065 173043049 /nfs/dbraw/zinc/04/30/49/173043049.db2.gz HVIYIEDXAMBVQG-SNVBAGLBSA-N 1 0 248.330 0.735 10 0 BCAERO CN(C(=O)c1ccc(N)nn1)[C@H]1CCC[N@H+](C)C1 ZINC000053250879 173044324 /nfs/dbraw/zinc/04/43/24/173044324.db2.gz AISSRBPLCRRLIK-VIFPVBQESA-N 1 0 249.318 0.225 10 0 BCAERO C[N@@H+]1CCC[C@H]1CCOc1ncc(N)cn1 ZINC000040456171 173053861 /nfs/dbraw/zinc/05/38/61/173053861.db2.gz BQPYTWOJCMYASQ-JTQLQIEISA-N 1 0 222.292 0.922 10 0 BCAERO CN1CCN(C(=O)C2(C)CC[NH2+]CC2)CC1 ZINC000014984832 173063485 /nfs/dbraw/zinc/06/34/85/173063485.db2.gz XEYVOQVXFWAUFH-UHFFFAOYSA-N 1 0 225.336 0.150 10 0 BCAERO CN1CCN(C(=O)C2CCC([NH3+])CC2)CC1 ZINC000037481601 173064223 /nfs/dbraw/zinc/06/42/23/173064223.db2.gz KMRXAVLSAPPDLP-UHFFFAOYSA-N 1 0 225.336 0.278 10 0 BCAERO CN1CCN(C(=O)C[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000055122117 173067939 /nfs/dbraw/zinc/06/79/39/173067939.db2.gz RBNRVHGFKGSNFS-VXGBXAGGSA-N 1 0 239.363 0.668 10 0 BCAERO CN1CCN(C(=O)OC(C)(C)C)[C@H](CC[NH3+])C1 ZINC000096986181 173069353 /nfs/dbraw/zinc/06/93/53/173069353.db2.gz HCKZOVMFOPWRJL-SNVBAGLBSA-N 1 0 243.351 0.886 10 0 BCAERO CN1CCN(C(=O)[C@H]2CCCC[C@H]2[NH3+])CC1 ZINC000055085915 173071263 /nfs/dbraw/zinc/07/12/63/173071263.db2.gz FOUUSIWQWHGEGE-WDEREUQCSA-N 1 0 225.336 0.278 10 0 BCAERO C[NH+]1CCN(CCNc2ccc(N)cn2)CC1 ZINC000037759549 173081393 /nfs/dbraw/zinc/08/13/93/173081393.db2.gz UPFVXXBUIFZEGN-UHFFFAOYSA-N 1 0 235.335 0.323 10 0 BCAERO CN1CCN(CCOc2cccc(C[NH3+])c2)C1=O ZINC000052885470 173081462 /nfs/dbraw/zinc/08/14/62/173081462.db2.gz BESFLSNJYXTESR-UHFFFAOYSA-N 1 0 249.314 0.892 10 0 BCAERO CN1CCN(NC(=O)c2ccc(C[NH3+])cc2)CC1 ZINC000082698201 173091383 /nfs/dbraw/zinc/09/13/83/173091383.db2.gz GIGRHTDXYJXMRM-UHFFFAOYSA-N 1 0 248.330 0.038 10 0 BCAERO Cn1ccc(C[NH2+]C[C@@H]2CN(C)CCO2)c1 ZINC000085790330 173106485 /nfs/dbraw/zinc/10/64/85/173106485.db2.gz CZSICZJHCOWXLJ-GFCCVEGCSA-N 1 0 223.320 0.445 10 0 BCAERO CN1CCO[C@H](C[NH2+]CC(C)(C)C)C1 ZINC000082432902 173108368 /nfs/dbraw/zinc/10/83/68/173108368.db2.gz WAQFPCIAYJNIAW-SNVBAGLBSA-N 1 0 200.326 0.953 10 0 BCAERO CN(C[C@@H]1CC[N@H+](C)C1)C(=O)c1cccc(N)n1 ZINC000071193134 173111466 /nfs/dbraw/zinc/11/14/66/173111466.db2.gz VRTFFULIIJLWTN-SNVBAGLBSA-N 1 0 248.330 0.688 10 0 BCAERO C[N@@H+]1CC[C@@H](NC(=O)c2cc(N)cn2C2CC2)C1 ZINC000042543624 173121528 /nfs/dbraw/zinc/12/15/28/173121528.db2.gz XQZFYYCFHXXXKT-SNVBAGLBSA-N 1 0 248.330 0.839 10 0 BCAERO C[N@@H+]1CC[C@@H](NC(=O)c2csc(N)n2)C1 ZINC000055188906 173123759 /nfs/dbraw/zinc/12/37/59/173123759.db2.gz UALZXJVSAIEUGS-ZCFIWIBFSA-N 1 0 226.305 0.159 10 0 BCAERO CN1CC[C@@H]([NH2+]C2CCC(C(N)=O)CC2)C1 ZINC000061988732 173124101 /nfs/dbraw/zinc/12/41/01/173124101.db2.gz UBERYVYYUVJVDP-VQXHTEKXSA-N 1 0 225.336 0.324 10 0 BCAERO CN1CC[C@@H]([NH2+]CCN2CCCCC2)C1 ZINC000061989658 173124649 /nfs/dbraw/zinc/12/46/49/173124649.db2.gz YIOVJBWBEOSTSD-GFCCVEGCSA-N 1 0 211.353 0.766 10 0 BCAERO CN1CC[C@@H]([NH2+]CCc2ccncc2)C1 ZINC000042546870 173124756 /nfs/dbraw/zinc/12/47/56/173124756.db2.gz BFVMUIRCRPYGNC-GFCCVEGCSA-N 1 0 205.305 0.918 10 0 BCAERO C[N@@H+]1CC[C@@H](Nc2cc(C(N)=S)ccn2)C1 ZINC000042549330 173126332 /nfs/dbraw/zinc/12/63/32/173126332.db2.gz IQTZQQHNANHVCR-SECBINFHSA-N 1 0 236.344 0.832 10 0 BCAERO CN1CC[C@@H]([NH2+][C@H](CO)Cc2ccccc2)C1 ZINC000063219051 173126568 /nfs/dbraw/zinc/12/65/68/173126568.db2.gz YLFZEWRSDPOKQM-KGLIPLIRSA-N 1 0 234.343 0.884 10 0 BCAERO CN1CC[C@@]([NH2+]C2CCCCCC2)(C(N)=O)C1 ZINC000061991105 173136046 /nfs/dbraw/zinc/13/60/46/173136046.db2.gz KKZKYEXWYDGJKV-ZDUSSCGKSA-N 1 0 239.363 0.858 10 0 BCAERO CN1CC[C@@](C[NH3+])(N2CCCSCC2)C1 ZINC000061990440 173136573 /nfs/dbraw/zinc/13/65/73/173136573.db2.gz QFVROMAWOHBRFE-NSHDSACASA-N 1 0 229.393 0.458 10 0 BCAERO CN(C[C@H]1CC[N@H+](C)C1)C(=O)c1ccc(N)nc1 ZINC000071193147 173143875 /nfs/dbraw/zinc/14/38/75/173143875.db2.gz FOTMSCHSBRERHV-JTQLQIEISA-N 1 0 248.330 0.688 10 0 BCAERO CN1CC[C@H]([NH3+])[C@H]1CNC(=O)OC(C)(C)C ZINC000082348643 173149205 /nfs/dbraw/zinc/14/92/05/173149205.db2.gz ULTKJBKKWUIQQU-DTWKUNHWSA-N 1 0 229.324 0.543 10 0 BCAERO CN1CC[C@H]([NH3+])[C@@H]1CNC(=O)OC(C)(C)C ZINC000082348645 173149295 /nfs/dbraw/zinc/14/92/95/173149295.db2.gz ULTKJBKKWUIQQU-IUCAKERBSA-N 1 0 229.324 0.543 10 0 BCAERO C[N@@H+]1CC[C@H](N2C(=O)c3cccc(N)c3C2=O)C1 ZINC000042547920 173150561 /nfs/dbraw/zinc/15/05/61/173150561.db2.gz TUBLEXPANQGKMP-QMMMGPOBSA-N 1 0 245.282 0.569 10 0 BCAERO CN1CC[C@H](N2CC[NH2+]Cc3ccccc32)C1=O ZINC000071184661 173150755 /nfs/dbraw/zinc/15/07/55/173150755.db2.gz OAUCQIIYQVYXTE-ZDUSSCGKSA-N 1 0 245.326 0.827 10 0 BCAERO CN1CC[C@H]([NH2+]CC(=O)NC2CCCC2)C1 ZINC000042547640 173151441 /nfs/dbraw/zinc/15/14/41/173151441.db2.gz JPBJKQUXXGCXJE-NSHDSACASA-N 1 0 225.336 0.339 10 0 BCAERO C[N@@H+]1CC[C@H](Nc2ncccc2C(N)=O)C1 ZINC000042548223 173156135 /nfs/dbraw/zinc/15/61/35/173156135.db2.gz INXDSYVNSKJFCR-QMMMGPOBSA-N 1 0 220.276 0.297 10 0 BCAERO CN1CC[C@](CO)([NH2+]Cc2cccs2)C1 ZINC000061992211 173162271 /nfs/dbraw/zinc/16/22/71/173162271.db2.gz BQGLDFPWDOMQHR-NSHDSACASA-N 1 0 226.345 0.904 10 0 BCAERO CN1CC[C@]([NH2+]C2CCCCCC2)(C(N)=O)C1 ZINC000061991104 173162815 /nfs/dbraw/zinc/16/28/15/173162815.db2.gz KKZKYEXWYDGJKV-CYBMUJFWSA-N 1 0 239.363 0.858 10 0 BCAERO C[N@@H+]1CC[C@]2(CCCN2c2nnco2)C1 ZINC000038812499 173164362 /nfs/dbraw/zinc/16/43/62/173164362.db2.gz SAWKCHBFYVSXAO-SNVBAGLBSA-N 1 0 208.265 0.744 10 0 BCAERO C[N@H+]1[C@@H]2CC[C@H]1CC(NCC(=O)NC1CC1)C2 ZINC000036782375 173207137 /nfs/dbraw/zinc/20/71/37/173207137.db2.gz OILNQSUFHJEROX-YOGCLGLASA-N 1 0 237.347 0.480 10 0 BCAERO CNC(=O)CCN[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000051759045 173260470 /nfs/dbraw/zinc/26/04/70/173260470.db2.gz RJBXENKCEWWTPF-GHMZBOCLSA-N 1 0 225.336 0.339 10 0 BCAERO CNC(=O)CCOc1c(C[NH3+])cccc1OC ZINC000051757243 173262507 /nfs/dbraw/zinc/26/25/07/173262507.db2.gz QFPPPECAPNNUIT-UHFFFAOYSA-N 1 0 238.287 0.669 10 0 BCAERO CNC(=O)C[NH2+]C1(CO)CCC(C)CC1 ZINC000053118799 173276740 /nfs/dbraw/zinc/27/67/40/173276740.db2.gz PAWZZPXLROJNRP-UHFFFAOYSA-N 1 0 214.309 0.263 10 0 BCAERO CNC(=O)C[NH2+]CCc1ccccc1F ZINC000020047669 173277106 /nfs/dbraw/zinc/27/71/06/173277106.db2.gz YCAOTUVNDBFTFI-UHFFFAOYSA-N 1 0 210.252 0.704 10 0 BCAERO CNC(=O)C[NH2+][C@@H](C)c1scnc1C ZINC000037254166 173278161 /nfs/dbraw/zinc/27/81/61/173278161.db2.gz HRJJLZHCPUFAFI-LURJTMIESA-N 1 0 213.306 0.848 10 0 BCAERO CNC(=O)COc1ccc(CC[NH3+])cc1 ZINC000019278713 173279179 /nfs/dbraw/zinc/27/91/79/173279179.db2.gz VHQMTKVZYMUIEC-UHFFFAOYSA-N 1 0 208.261 0.313 10 0 BCAERO CNC(=O)COc1ccc(OC)cc1CC[NH3+] ZINC000037719994 173279183 /nfs/dbraw/zinc/27/91/83/173279183.db2.gz HBVQWECRDZBWRF-UHFFFAOYSA-N 1 0 238.287 0.321 10 0 BCAERO CNC(=O)COc1ccccc1[C@H](C)[NH3+] ZINC000019406114 173279509 /nfs/dbraw/zinc/27/95/09/173279509.db2.gz YZCGYYJSPXSDTR-QMMMGPOBSA-N 1 0 208.261 0.831 10 0 BCAERO CNC(=O)COc1ccccc1[C@@H](C)[NH3+] ZINC000019406110 173279563 /nfs/dbraw/zinc/27/95/63/173279563.db2.gz YZCGYYJSPXSDTR-MRVPVSSYSA-N 1 0 208.261 0.831 10 0 BCAERO CNC(=O)C[C@@H](C)[NH2+]Cc1cnn(C)c1C ZINC000131561946 173281157 /nfs/dbraw/zinc/28/11/57/173281157.db2.gz LJKPBFVGXKRYPX-MRVPVSSYSA-N 1 0 224.308 0.343 10 0 BCAERO CNC(=O)Cn1c(C)cc2c1CCC[C@@H]2[NH3+] ZINC000041729904 173284058 /nfs/dbraw/zinc/28/40/58/173284058.db2.gz WPXPWKMKGRBEGW-JTQLQIEISA-N 1 0 221.304 0.879 10 0 BCAERO CNC(=O)Cn1ccc2c1CCC[C@@H]2[NH3+] ZINC000041729920 173284096 /nfs/dbraw/zinc/28/40/96/173284096.db2.gz CSJIWZSLSBUNCN-VIFPVBQESA-N 1 0 207.277 0.570 10 0 BCAERO CNC(=O)NC(=O)[C@@H](C)[NH2+]CC1CCCC1 ZINC000037251950 173287967 /nfs/dbraw/zinc/28/79/67/173287967.db2.gz AQPLGJFCWWOVOL-MRVPVSSYSA-N 1 0 227.308 0.610 10 0 BCAERO CNC(=O)NC(=O)[C@@H](C)[NH2+]Cc1ccccc1 ZINC000020302848 173288000 /nfs/dbraw/zinc/28/80/00/173288000.db2.gz VNGICDXXLFRODR-SECBINFHSA-N 1 0 235.287 0.620 10 0 BCAERO CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCC[C@@H](C)C1 ZINC000037255238 173288669 /nfs/dbraw/zinc/28/86/69/173288669.db2.gz TZGHWHQHZWMSSN-KXUCPTDWSA-N 1 0 241.335 0.999 10 0 BCAERO CNC(=O)[C@@H](C)N1CCCC[C@@H]1C[NH2+]C1CC1 ZINC000104420191 173293976 /nfs/dbraw/zinc/29/39/76/173293976.db2.gz VHWOSWDEIATONB-ZYHUDNBSSA-N 1 0 239.363 0.727 10 0 BCAERO CNC(=O)[C@@H](C)NC(=O)C1CCC(C[NH3+])CC1 ZINC000055162956 173294456 /nfs/dbraw/zinc/29/44/56/173294456.db2.gz FAOXTROKXGNRIQ-XNWIYYODSA-N 1 0 241.335 0.002 10 0 BCAERO CNC(=O)[C@@H](C)[NH2+]Cc1ccc(O)cc1 ZINC000042341749 173295263 /nfs/dbraw/zinc/29/52/63/173295263.db2.gz QHDFNXJMQBIPOW-MRVPVSSYSA-N 1 0 208.261 0.616 10 0 BCAERO CNC(=O)[C@@H](C)[NH2+][C@H](C)C(=O)NC1CCCC1 ZINC000042570113 173295340 /nfs/dbraw/zinc/29/53/40/173295340.db2.gz VAOHJOHNIIAKPW-RKDXNWHRSA-N 1 0 241.335 0.158 10 0 BCAERO CNC(=O)[C@@H](C)[NH2+]CC1(O)CCCCC1 ZINC000042562659 173295464 /nfs/dbraw/zinc/29/54/64/173295464.db2.gz HQAFKSPOATUZSG-SECBINFHSA-N 1 0 214.309 0.406 10 0 BCAERO CNC(=O)[C@@H](C)[NH2+]Cc1ccccc1C(N)=O ZINC000042569938 173295471 /nfs/dbraw/zinc/29/54/71/173295471.db2.gz YTFGDTQKVXGAAS-MRVPVSSYSA-N 1 0 235.287 0.010 10 0 BCAERO CNC(=O)[C@@H]1CCCN1c1cc(N)cc[nH+]1 ZINC000043569245 173299058 /nfs/dbraw/zinc/29/90/58/173299058.db2.gz PCMHEAXTKLWDRI-VIFPVBQESA-N 1 0 220.276 0.379 10 0 BCAERO CNC(=O)[C@@H]1CCCN1[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000042396240 173299116 /nfs/dbraw/zinc/29/91/16/173299116.db2.gz JDSSYAFEEJGTQU-TUAOUCFPSA-N 1 0 239.363 0.857 10 0 BCAERO CNC(=O)[C@H](C)NC(=O)[C@H]1[C@H]([NH3+])CCC[C@@H]1C ZINC000055140581 173302142 /nfs/dbraw/zinc/30/21/42/173302142.db2.gz VSLOCOSZDHCNQX-AXTSPUMRSA-N 1 0 241.335 0.001 10 0 BCAERO CNC(=O)[C@H](C)[NH2+]CC1(O)CCCCCC1 ZINC000042562604 173302338 /nfs/dbraw/zinc/30/23/38/173302338.db2.gz OWDVWFNDJAVJFW-JTQLQIEISA-N 1 0 228.336 0.796 10 0 BCAERO CNC(=O)[C@H](C)[NH2+]C[C@@H]1CCCCO1 ZINC000042319970 173302501 /nfs/dbraw/zinc/30/25/01/173302501.db2.gz KOCFLKPUNVVTAA-IUCAKERBSA-N 1 0 200.282 0.280 10 0 BCAERO CNC(=O)[C@H](C)[NH2+]CC1(O)CCCCC1 ZINC000042562657 173302552 /nfs/dbraw/zinc/30/25/52/173302552.db2.gz HQAFKSPOATUZSG-VIFPVBQESA-N 1 0 214.309 0.406 10 0 BCAERO CNC(=O)[C@H](C)[NH2+]C[C@@H](O)c1ccccc1F ZINC000042562628 173302648 /nfs/dbraw/zinc/30/26/48/173302648.db2.gz XLJHKFFYAYBYCX-GZMMTYOYSA-N 1 0 240.278 0.583 10 0 BCAERO CNC(=O)[C@H]([NH2+]Cc1cnc[nH]1)C(C)C ZINC000125022036 173305459 /nfs/dbraw/zinc/30/54/59/173305459.db2.gz WAHQDIMISSGRQB-SECBINFHSA-N 1 0 210.281 0.270 10 0 BCAERO CNC(=O)[C@H]1CCCC[N@@H+]1C[C@@H](C)C(=O)OC ZINC000042423112 173306126 /nfs/dbraw/zinc/30/61/26/173306126.db2.gz XYFVRTGKDQSTDC-NXEZZACHSA-N 1 0 242.319 0.396 10 0 BCAERO CNC(=O)[C@H]1CCCN1c1cc[nH+]cc1N ZINC000042393206 173307816 /nfs/dbraw/zinc/30/78/16/173307816.db2.gz RWBWCKHWWKLWCF-SNVBAGLBSA-N 1 0 220.276 0.379 10 0 BCAERO CNC(=O)[C@]1(C)CC[N@H+](C[C@H](C)C(=O)OC)C1 ZINC000300712336 173309009 /nfs/dbraw/zinc/30/90/09/173309009.db2.gz HJOXJXNYJAUGIY-JOYOIKCWSA-N 1 0 242.319 0.254 10 0 BCAERO CNC(=O)c1cc(N(C)C[C@H](C)C[NH3+])ccn1 ZINC000042455635 173309554 /nfs/dbraw/zinc/30/95/54/173309554.db2.gz FMQHDIIEQVOQLA-SECBINFHSA-N 1 0 236.319 0.472 10 0 BCAERO CNC(=O)c1cc(N[C@H]2CC[N@H+](C)C2)ccn1 ZINC000042548097 173309866 /nfs/dbraw/zinc/30/98/66/173309866.db2.gz YYUXCZOOTKHXJF-JTQLQIEISA-N 1 0 234.303 0.557 10 0 BCAERO CNC(=O)c1cc(OC2CC2)cc(C[NH3+])n1 ZINC000095737940 173309971 /nfs/dbraw/zinc/30/99/71/173309971.db2.gz FTKHWXHVLVQHFN-UHFFFAOYSA-N 1 0 221.260 0.441 10 0 BCAERO CNC(=O)c1cc(NC[C@@H]([NH3+])C2CC2)ccn1 ZINC000104318374 173309998 /nfs/dbraw/zinc/30/99/98/173309998.db2.gz SVSMEHGOESOWBD-SNVBAGLBSA-N 1 0 234.303 0.590 10 0 BCAERO CNC(=O)c1cc(OC2CC2)c(C[NH3+])cn1 ZINC000095738115 173310051 /nfs/dbraw/zinc/31/00/51/173310051.db2.gz UWCYPUNCORRWOF-UHFFFAOYSA-N 1 0 221.260 0.441 10 0 BCAERO CNC(=O)c1ncc(C[NH3+])cc1OC1CC1 ZINC000095737773 173314260 /nfs/dbraw/zinc/31/42/60/173314260.db2.gz PXPIERFOOVXAIV-UHFFFAOYSA-N 1 0 221.260 0.441 10 0 BCAERO CNC(=O)c1cncc(OC2CC2)c1C[NH3+] ZINC000095737647 173314374 /nfs/dbraw/zinc/31/43/74/173314374.db2.gz QVHONPJQLGQQBY-UHFFFAOYSA-N 1 0 221.260 0.441 10 0 BCAERO C[NH2+]C(C)(C)C(=O)NC[C@H]1CCCOC1 ZINC000061317822 173318318 /nfs/dbraw/zinc/31/83/18/173318318.db2.gz WWVUGLHHNIAXRR-SECBINFHSA-N 1 0 214.309 0.527 10 0 BCAERO C[NH2+]C(C)(C)C(=O)N[C@H]1CCCC[C@H]1O ZINC000061319261 173318435 /nfs/dbraw/zinc/31/84/35/173318435.db2.gz YOEMFJRQPGKVJU-DTWKUNHWSA-N 1 0 214.309 0.404 10 0 BCAERO C[NH2+]C(C)(C)C(=O)Nc1c(C)n[nH]c1C ZINC000061300474 173318453 /nfs/dbraw/zinc/31/84/53/173318453.db2.gz YHVJARPPOMHHRV-UHFFFAOYSA-N 1 0 210.281 0.963 10 0 BCAERO C[NH2+]C(C)(C)C(=O)NCc1cc(C)on1 ZINC000061319048 173318527 /nfs/dbraw/zinc/31/85/27/173318527.db2.gz SIKVWXMLKGGLQY-UHFFFAOYSA-N 1 0 211.265 0.597 10 0 BCAERO C[NH2+]C(C)(C)C(=O)NC[C@H]1CCCO1 ZINC000061300246 173318543 /nfs/dbraw/zinc/31/85/43/173318543.db2.gz QGDLIKOPQLRXMU-MRVPVSSYSA-N 1 0 200.282 0.280 10 0 BCAERO C[NH2+]C(C)(C)CN(C)[C@@H]1CCS(=O)(=O)C1 ZINC000061319619 173319630 /nfs/dbraw/zinc/31/96/30/173319630.db2.gz SIAIXIKCQXNTPB-SECBINFHSA-N 1 0 234.365 0.103 10 0 BCAERO C[NH2+]CC(=O)N1CCn2c(C)ccc2[C@H]1C ZINC000037798434 173328116 /nfs/dbraw/zinc/32/81/16/173328116.db2.gz JFTKGPQGVIBWLV-SNVBAGLBSA-N 1 0 221.304 0.919 10 0 BCAERO C[NH2+]CC(=O)NCCCc1cc(C)[nH]c1C ZINC000077336122 173329025 /nfs/dbraw/zinc/32/90/25/173329025.db2.gz SAIKYDPUCMMCFD-UHFFFAOYSA-N 1 0 223.320 0.900 10 0 BCAERO C[NH2+]CC(=O)NCCc1ccc(OC)c(C)c1 ZINC000077372791 173329218 /nfs/dbraw/zinc/32/92/18/173329218.db2.gz PKWVKXNQKHQYPP-UHFFFAOYSA-N 1 0 236.315 0.882 10 0 BCAERO C[NH2+]CC(=O)NCCc1cc(F)ccc1OC ZINC000077385943 173329651 /nfs/dbraw/zinc/32/96/51/173329651.db2.gz OUEFKWGLLMGMHC-UHFFFAOYSA-N 1 0 240.278 0.712 10 0 BCAERO C[NH2+]CC(=O)NC[C@@H](CO)c1ccccc1 ZINC000193132230 173330916 /nfs/dbraw/zinc/33/09/16/173330916.db2.gz FJSVAYJXZRJGRT-NSHDSACASA-N 1 0 222.288 0.098 10 0 BCAERO C[NH2+]CC(=O)Nc1cc(C(N)=O)ccc1Cl ZINC000037014130 173332769 /nfs/dbraw/zinc/33/27/69/173332769.db2.gz CMELMQYNHGNYFG-UHFFFAOYSA-N 1 0 241.678 0.597 10 0 BCAERO C[NH2+]CC(=O)N[C@]1(CO)CCC[C@@H](C)C1 ZINC000053127866 173332853 /nfs/dbraw/zinc/33/28/53/173332853.db2.gz JPRURPHDLDDJCO-MWLCHTKSSA-N 1 0 214.309 0.263 10 0 BCAERO C[NH2+]CC(=O)N[C@H](C)c1cccc(O)c1 ZINC000037005189 173333108 /nfs/dbraw/zinc/33/31/08/173333108.db2.gz GQHGBQKKBNMFQI-MRVPVSSYSA-N 1 0 208.261 0.789 10 0 BCAERO C[NH2+]CC(=O)Nc1ccc(F)c(C(N)=O)c1 ZINC000037026638 173334318 /nfs/dbraw/zinc/33/43/18/173334318.db2.gz KELLHFYXOUIKKX-UHFFFAOYSA-N 1 0 225.223 0.083 10 0 BCAERO C[NH2+]CC(=O)Nc1cccc(NC(N)=O)c1 ZINC000037041068 173335031 /nfs/dbraw/zinc/33/50/31/173335031.db2.gz RYBWTAFCYBWXPO-UHFFFAOYSA-N 1 0 222.248 0.335 10 0 BCAERO C[NH2+]CC1(CN2CCS(=O)CC2)CCCC1 ZINC000051252223 173338093 /nfs/dbraw/zinc/33/80/93/173338093.db2.gz MHXXZAWQJXFIFL-UHFFFAOYSA-N 1 0 244.404 0.831 10 0 BCAERO C[NH2+]CCC(=O)N[C@H](C)[C@@H]1CCCO1 ZINC000043600068 173341297 /nfs/dbraw/zinc/34/12/97/173341297.db2.gz XWNRSOZKLZNEOL-BDAKNGLRSA-N 1 0 200.282 0.280 10 0 BCAERO C[NH2+]CCCC(=O)N(CCOC)[C@@H](C)COC ZINC000042610262 173342586 /nfs/dbraw/zinc/34/25/86/173342586.db2.gz ZVSZFUVHQKOYEJ-NSHDSACASA-N 1 0 246.351 0.496 10 0 BCAERO C[NH2+]CCCC(=O)N1[C@H](C)COC[C@@H]1C ZINC000237131263 173344099 /nfs/dbraw/zinc/34/40/99/173344099.db2.gz NYVXEBUCNBUEGY-AOOOYVTPSA-N 1 0 214.309 0.622 10 0 BCAERO C[NH2+]CCCc1nnc2ccc(C)nn21 ZINC000050194425 173351059 /nfs/dbraw/zinc/35/10/59/173351059.db2.gz HBMSQNVFRSFJJG-UHFFFAOYSA-N 1 0 205.265 0.585 10 0 BCAERO C[NH2+]CCN(C)c1ccc(S(C)(=O)=O)cc1 ZINC000053663792 173354047 /nfs/dbraw/zinc/35/40/47/173354047.db2.gz DMAHKAMUZJWGGW-UHFFFAOYSA-N 1 0 242.344 0.746 10 0 BCAERO C[NH2+]CCN(C)c1ncc(Br)cn1 ZINC000069629948 173354605 /nfs/dbraw/zinc/35/46/05/173354605.db2.gz KIBHPIURXOBJQY-UHFFFAOYSA-N 1 0 245.124 0.895 10 0 BCAERO C[NH2+]CCS(=O)(=O)N1CCC[C@H](C)C1 ZINC000049629851 173357418 /nfs/dbraw/zinc/35/74/18/173357418.db2.gz YUWWLBOISZRZRF-VIFPVBQESA-N 1 0 220.338 0.268 10 0 BCAERO C[NH2+]CCS(=O)(=O)N1CCC[C@H]1C ZINC000049630273 173357747 /nfs/dbraw/zinc/35/77/47/173357747.db2.gz BGELVAXIZBUFAX-MRVPVSSYSA-N 1 0 206.311 0.020 10 0 BCAERO C[NH2+]CCS(=O)(=O)N1CCCC[C@H]1C ZINC000049629830 173357912 /nfs/dbraw/zinc/35/79/12/173357912.db2.gz SZXGOVUEIPOYJG-SECBINFHSA-N 1 0 220.338 0.410 10 0 BCAERO C[NH2+]CCS(=O)(=O)N1[C@H](C)CCC[C@@H]1C ZINC000049630049 173357953 /nfs/dbraw/zinc/35/79/53/173357953.db2.gz OWJPNCTVRJGZNZ-AOOOYVTPSA-N 1 0 234.365 0.799 10 0 BCAERO C[NH2+]CC[C@@H]1CN(CCOC)C(=O)O1 ZINC000077297265 173358370 /nfs/dbraw/zinc/35/83/70/173358370.db2.gz YNIUVSSITSZMIS-MRVPVSSYSA-N 1 0 202.254 0.063 10 0 BCAERO C[NH2+]CCc1nnc(-c2cscn2)o1 ZINC000062362165 173362032 /nfs/dbraw/zinc/36/20/32/173362032.db2.gz INPXQNKTCKXUNJ-UHFFFAOYSA-N 1 0 210.262 0.955 10 0 BCAERO C[NH2+]C[C@@H](C)Oc1ncnc2[nH]cnc21 ZINC000051867201 173364479 /nfs/dbraw/zinc/36/44/79/173364479.db2.gz QGXVGOKXPUEONT-ZCFIWIBFSA-N 1 0 207.237 0.291 10 0 BCAERO C[NH2+]C[C@@H](O)CN1CCc2ccccc21 ZINC000019685156 173365124 /nfs/dbraw/zinc/36/51/24/173365124.db2.gz BFXFXCYFUKYWHS-LLVKDONJSA-N 1 0 206.289 0.629 10 0 BCAERO C[NH2+]C[C@@H](O)Cn1cnc2ccsc2c1=O ZINC000037382775 173365467 /nfs/dbraw/zinc/36/54/67/173365467.db2.gz FXHRZWMXZWAWHI-SSDOTTSWSA-N 1 0 239.300 0.038 10 0 BCAERO C[NH2+]C[C@@H](O)COc1c(OC)cccc1OC ZINC000019864529 173365510 /nfs/dbraw/zinc/36/55/10/173365510.db2.gz FRYNCZLBOOBTQW-SECBINFHSA-N 1 0 241.287 0.663 10 0 BCAERO C[NH2+]C[C@@H](O)Cn1c(C)nc2ccccc21 ZINC000019864270 173365526 /nfs/dbraw/zinc/36/55/26/173365526.db2.gz AUQGFHJIHMUIQP-SNVBAGLBSA-N 1 0 219.288 0.925 10 0 BCAERO C[NH2+]C[C@@H]1CCCN(Cc2ncccn2)C1 ZINC000054460378 173367690 /nfs/dbraw/zinc/36/76/90/173367690.db2.gz SMYGQFWOGXUAKN-NSHDSACASA-N 1 0 220.320 0.908 10 0 BCAERO C[NH2+]C[C@@H]1CCN(CC(=O)NCCC(C)C)C1 ZINC000071147296 173369808 /nfs/dbraw/zinc/36/98/08/173369808.db2.gz ZCKQXNAWUWOGNV-LBPRGKRZSA-N 1 0 241.379 0.690 10 0 BCAERO C[NH2+]C[C@@H]1CCN(Cc2cc(=O)c(O)co2)C1 ZINC000071145437 173370483 /nfs/dbraw/zinc/37/04/83/173370483.db2.gz XVKNKNLDEKWARO-VIFPVBQESA-N 1 0 238.287 0.387 10 0 BCAERO C[NH2+]C[C@H](C(C)C)N1CCn2ccnc2C1 ZINC000062325616 173373619 /nfs/dbraw/zinc/37/36/19/173373619.db2.gz FKJVNCRORQXPLV-LLVKDONJSA-N 1 0 222.336 0.943 10 0 BCAERO C[NH2+]C[C@H](O)COC[C@@H]1CCCCO1 ZINC000019864947 173376750 /nfs/dbraw/zinc/37/67/50/173376750.db2.gz LQYIMEZTBTVYKU-UWVGGRQHSA-N 1 0 203.282 0.152 10 0 BCAERO C[NH2+]C[C@H](O)CSc1nncs1 ZINC000019865355 173376821 /nfs/dbraw/zinc/37/68/21/173376821.db2.gz QEYDKVRVOQPOKQ-YFKPBYRVSA-N 1 0 205.308 0.211 10 0 BCAERO C[NH2+]C[C@H](O)COc1ccccc1OC ZINC000019864715 173376853 /nfs/dbraw/zinc/37/68/53/173376853.db2.gz GABYGHFEJZTGIU-VIFPVBQESA-N 1 0 211.261 0.654 10 0 BCAERO C[NH2+]C[C@H](c1ccco1)N1CCOCC1 ZINC000075825424 173377868 /nfs/dbraw/zinc/37/78/68/173377868.db2.gz VPYBNRLVMWEJHV-SNVBAGLBSA-N 1 0 210.277 0.872 10 0 BCAERO C[NH2+]C[C@H]1CCCN1c1ncc(F)cn1 ZINC000128527255 173380904 /nfs/dbraw/zinc/38/09/04/173380904.db2.gz HGJNPHIMNHMPIO-SECBINFHSA-N 1 0 210.256 0.804 10 0 BCAERO C[NH2+]C[C@H]1CCCN1c1nccc(OC)n1 ZINC000053703653 173381017 /nfs/dbraw/zinc/38/10/17/173381017.db2.gz XQYYRKCNEUDSME-SECBINFHSA-N 1 0 222.292 0.673 10 0 BCAERO C[NH2+]C[C@H]1CCN([C@@H](C)c2nncn2C)C1 ZINC000053034754 173381436 /nfs/dbraw/zinc/38/14/36/173381436.db2.gz SZQBTDCNMHRWBT-VHSXEESVSA-N 1 0 223.324 0.417 10 0 BCAERO C[NH2+]C[C@H]1CN(c2ccn(C)c2)C(=O)O1 ZINC000073168998 173382964 /nfs/dbraw/zinc/38/29/64/173382964.db2.gz UWLJFDPYICTJJF-VIFPVBQESA-N 1 0 209.249 0.570 10 0 BCAERO C[NH2+]Cc1c(C)nn(C)c1N(C)[C@H](C)COC ZINC000042519070 173383772 /nfs/dbraw/zinc/38/37/72/173383772.db2.gz ZGAUVGYXXXBXKF-SECBINFHSA-N 1 0 240.351 0.919 10 0 BCAERO C[NH2+]Cc1c(C)nn(C)c1N(CCO)C1CC1 ZINC000042480366 173384136 /nfs/dbraw/zinc/38/41/36/173384136.db2.gz CXFRYNZQASBIKW-UHFFFAOYSA-N 1 0 238.335 0.409 10 0 BCAERO C[NH2+]Cc1cc(Cn2cc(C)cn2)on1 ZINC000052576883 173387004 /nfs/dbraw/zinc/38/70/04/173387004.db2.gz IRQWCGMWXMIUGI-UHFFFAOYSA-N 1 0 206.249 0.947 10 0 BCAERO C[NH2+]Cc1cc(Cn2cncn2)c(C)o1 ZINC000052575242 173387328 /nfs/dbraw/zinc/38/73/28/173387328.db2.gz KZJWIMUGPCTGQM-UHFFFAOYSA-N 1 0 206.249 0.947 10 0 BCAERO C[NH2+]Cc1cccc(N2CCNC2=O)c1 ZINC000041054438 173389664 /nfs/dbraw/zinc/38/96/64/173389664.db2.gz XRJBBFRSFDCFCY-UHFFFAOYSA-N 1 0 205.261 0.936 10 0 BCAERO C[NH2+]Cc1ccccc1N1CCNC1=O ZINC000041054403 173390067 /nfs/dbraw/zinc/39/00/67/173390067.db2.gz CPVHFKQNJFMDHN-UHFFFAOYSA-N 1 0 205.261 0.936 10 0 BCAERO C[NH2+]Cc1ccccc1N1CC[C@H](O)C1 ZINC000061711239 173390803 /nfs/dbraw/zinc/39/08/03/173390803.db2.gz UVOAWCGAQMRUNN-NSHDSACASA-N 1 0 206.289 0.977 10 0 BCAERO C[NH2+]Cc1ccnc(C[C@@H]2CCCO2)n1 ZINC000054791183 173391027 /nfs/dbraw/zinc/39/10/27/173391027.db2.gz JVVYAGQABDPULM-JTQLQIEISA-N 1 0 207.277 0.918 10 0 BCAERO C[NH2+]Cc1cnc(N2CCN(C)CC2)s1 ZINC000054900296 173392130 /nfs/dbraw/zinc/39/21/30/173392130.db2.gz GAKUKLCSANEELB-UHFFFAOYSA-N 1 0 226.349 0.614 10 0 BCAERO C[NH2+]Cc1coc(CN2CCN(C)CC2)c1 ZINC000052379442 173392877 /nfs/dbraw/zinc/39/28/77/173392877.db2.gz GHQGHTPRWGVZSL-UHFFFAOYSA-N 1 0 223.320 0.746 10 0 BCAERO C[NH2+]Cc1nnnn1-c1ccccc1C ZINC000054744635 173398560 /nfs/dbraw/zinc/39/85/60/173398560.db2.gz AXZYOINYDLXYCO-UHFFFAOYSA-N 1 0 203.249 0.690 10 0 BCAERO C[NH2+]Cc1nnnn1Cc1ccc(C)s1 ZINC000054746459 173398807 /nfs/dbraw/zinc/39/88/07/173398807.db2.gz XDIRLMFTCABEBR-UHFFFAOYSA-N 1 0 223.305 0.811 10 0 BCAERO C[NH2+]Cc1nnnn1-c1cccc(F)c1F ZINC000054748267 173398829 /nfs/dbraw/zinc/39/88/29/173398829.db2.gz XIGZGSPWKIDYJY-UHFFFAOYSA-N 1 0 225.202 0.660 10 0 BCAERO C[NH2+]Cc1nnnn1[C@@H](C)[C@@H]1CCCO1 ZINC000054746124 173398987 /nfs/dbraw/zinc/39/89/87/173398987.db2.gz SVZMVUWJBNJPMB-YUMQZZPRSA-N 1 0 211.269 0.133 10 0 BCAERO C[NH2+][C@@H](C)CNC(=O)c1cnn2ccccc12 ZINC000234430084 173416075 /nfs/dbraw/zinc/41/60/75/173416075.db2.gz LGZFOPXSCIPFCX-VIFPVBQESA-N 1 0 232.287 0.672 10 0 BCAERO C[NH2+][C@@H](C)CNS(=O)(=O)c1cccc(F)c1 ZINC000234435675 173416237 /nfs/dbraw/zinc/41/62/37/173416237.db2.gz WSGZCVYVICFUIJ-QMMMGPOBSA-N 1 0 246.307 0.712 10 0 BCAERO C[NH2+][C@@H](C)CNS(=O)(=O)Cc1ccccc1 ZINC000234433751 173416258 /nfs/dbraw/zinc/41/62/58/173416258.db2.gz ZVZSQUIGUBCWJU-JTQLQIEISA-N 1 0 242.344 0.714 10 0 BCAERO C[NH2+][C@@](C)(CO)c1ccc2c(c1)OCCO2 ZINC000038121000 173440337 /nfs/dbraw/zinc/44/03/37/173440337.db2.gz BNSWTYVXLTWCFV-LBPRGKRZSA-N 1 0 223.272 0.885 10 0 BCAERO C[NH2+][C@H](C)CNS(=O)(=O)c1cccc(F)c1 ZINC000234440549 173447327 /nfs/dbraw/zinc/44/73/27/173447327.db2.gz WSGZCVYVICFUIJ-MRVPVSSYSA-N 1 0 246.307 0.712 10 0 BCAERO C[NH2+][C@H](C)CNS(=O)(=O)c1ccc(F)cc1 ZINC000234440285 173447352 /nfs/dbraw/zinc/44/73/52/173447352.db2.gz FOZCSLYHFWVHKV-MRVPVSSYSA-N 1 0 246.307 0.712 10 0 BCAERO C[NH2+][C@H]1CCCC[C@H]1CN1CCS(=O)CC1 ZINC000053858907 173460567 /nfs/dbraw/zinc/46/05/67/173460567.db2.gz PPYQAYFKMZKOCB-RYUDHWBXSA-N 1 0 244.404 0.829 10 0 BCAERO C[NH2+][C@H]1CCCN(Cc2cnccn2)C1 ZINC000053204209 173461753 /nfs/dbraw/zinc/46/17/53/173461753.db2.gz QFMAAQBHJLXOTH-JTQLQIEISA-N 1 0 206.293 0.660 10 0 BCAERO COC(=O)CC[C@@H]([NH3+])c1ccc2[nH]c(=O)[nH]c2c1 ZINC000037635900 173566612 /nfs/dbraw/zinc/56/66/12/173566612.db2.gz UKMXRZGQZUPNHT-MRVPVSSYSA-N 1 0 249.270 0.809 10 0 BCAERO COC(=O)c1cc(CC[NH3+])cc(OC)c1 ZINC000095764872 173853112 /nfs/dbraw/zinc/85/31/12/173853112.db2.gz DOHOVOQKZWLUQL-UHFFFAOYSA-N 1 0 209.245 0.983 10 0 BCAERO CC(C)(C)[C@H](O)C[NH2+]C[C@@H](O)Cn1cccn1 ZINC000324538412 487627702 /nfs/dbraw/zinc/62/77/02/487627702.db2.gz REDZKEWPNIBXCA-GHMZBOCLSA-N 1 0 241.335 0.241 10 0 BCAERO COC(=O)c1cccc(CN2CC[NH2+]CC2)n1 ZINC000083109161 173893333 /nfs/dbraw/zinc/89/33/33/173893333.db2.gz STVYWJPJSTYWTH-UHFFFAOYSA-N 1 0 235.287 0.273 10 0 BCAERO COC(=O)c1cccnc1N[C@@H]1CC[NH2+]C1 ZINC000052094018 173902963 /nfs/dbraw/zinc/90/29/63/173902963.db2.gz MMODVJASOLBKHI-MRVPVSSYSA-N 1 0 221.260 0.642 10 0 BCAERO COC1CCN([C@@H]2COCC[C@@H]2[NH3+])CC1 ZINC000036305435 174030545 /nfs/dbraw/zinc/03/05/45/174030545.db2.gz RZUNKHXYYRBPSP-WDEREUQCSA-N 1 0 214.309 0.213 10 0 BCAERO COC1CCN([C@H]2COCC[C@H]2[NH3+])CC1 ZINC000036305442 174032452 /nfs/dbraw/zinc/03/24/52/174032452.db2.gz RZUNKHXYYRBPSP-MNOVXSKESA-N 1 0 214.309 0.213 10 0 BCAERO COCC(=O)N1CCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000048631639 174040949 /nfs/dbraw/zinc/04/09/49/174040949.db2.gz DZQUSUOYOOZWJH-GHMZBOCLSA-N 1 0 226.320 0.623 10 0 BCAERO COCC(=O)N[C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000048631633 174054229 /nfs/dbraw/zinc/05/42/29/174054229.db2.gz AVENXFMGGFWEFU-DTWKUNHWSA-N 1 0 200.282 0.280 10 0 BCAERO COCC(=O)N[C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000048631631 174054261 /nfs/dbraw/zinc/05/42/61/174054261.db2.gz AVENXFMGGFWEFU-IUCAKERBSA-N 1 0 200.282 0.280 10 0 BCAERO COCCC(=O)N1CC[C@@H]2CC[C@H](C1)[NH2+]2 ZINC000096058553 174125883 /nfs/dbraw/zinc/12/58/83/174125883.db2.gz BSNLLHHDXXLERJ-VHSXEESVSA-N 1 0 212.293 0.376 10 0 BCAERO COCCC(=O)N[C@H]1CCCC[C@@H]1[NH3+] ZINC000053731785 174134884 /nfs/dbraw/zinc/13/48/84/174134884.db2.gz MXEOOKTUHJSDRK-IUCAKERBSA-N 1 0 200.282 0.409 10 0 BCAERO COCCCC[N@@H+]1C[C@@H](OC)C[C@H]1CO ZINC000308836570 174194902 /nfs/dbraw/zinc/19/49/02/174194902.db2.gz LPFATVRRMFDTFC-QWRGUYRKSA-N 1 0 217.309 0.495 10 0 BCAERO COCCCC[NH2+][C@@H]1CCC(=O)N[C@@H]1C ZINC000336754004 174201809 /nfs/dbraw/zinc/20/18/09/174201809.db2.gz HFHPMURLNDHDJV-NXEZZACHSA-N 1 0 214.309 0.670 10 0 BCAERO COCCC[N@@H+]1C[C@@H](OC)C[C@H]1CO ZINC000308594255 174235149 /nfs/dbraw/zinc/23/51/49/174235149.db2.gz XNXLOVUEOLDOKU-UWVGGRQHSA-N 1 0 203.282 0.105 10 0 BCAERO COCCC[NH2+]CCN(C)C[C@@H]1CCCOC1 ZINC000104191531 174247488 /nfs/dbraw/zinc/24/74/88/174247488.db2.gz NVKWRYINKTYBFF-ZDUSSCGKSA-N 1 0 244.379 0.971 10 0 BCAERO COCCCOCCN(C)C(=O)[C@@H]([NH3+])C(C)C ZINC000183027470 174253915 /nfs/dbraw/zinc/25/39/15/174253915.db2.gz CMZCUXLLEBDZDU-NSHDSACASA-N 1 0 246.351 0.481 10 0 BCAERO COCCC[C@H](C)C(=O)N1CC[NH2+]CC1 ZINC000237251054 174262297 /nfs/dbraw/zinc/26/22/97/174262297.db2.gz OHBVWISLAJZVMD-JTQLQIEISA-N 1 0 214.309 0.481 10 0 BCAERO COCCN(C(=O)N1CC[NH2+]CC1)C1CC1 ZINC000042518008 174268201 /nfs/dbraw/zinc/26/82/01/174268201.db2.gz XLBJBUPQEKDYBZ-UHFFFAOYSA-N 1 0 227.308 0.122 10 0 BCAERO COCCN(C(=O)[C@H]1CCC[NH2+]1)[C@H](C)COC ZINC000042610170 174269812 /nfs/dbraw/zinc/26/98/12/174269812.db2.gz JSQCNVQDSFOFJB-GHMZBOCLSA-N 1 0 244.335 0.248 10 0 BCAERO COCC[N@H+](C)CCNc1ncccc1N ZINC000061378002 174279419 /nfs/dbraw/zinc/27/94/19/174279419.db2.gz UGWWMSYBGWMTEC-UHFFFAOYSA-N 1 0 224.308 0.654 10 0 BCAERO COCCN(CCC[NH3+])C(=O)[C@H]1CCCOC1 ZINC000071223105 174290232 /nfs/dbraw/zinc/29/02/32/174290232.db2.gz IKKIRAWNYBRCEP-NSHDSACASA-N 1 0 244.335 0.237 10 0 BCAERO COCC[N@H+](CCO)C[C@H](O)COC(C)(C)C ZINC000104957661 174292733 /nfs/dbraw/zinc/29/27/33/174292733.db2.gz RNZPGEKVVXHBNA-NSHDSACASA-N 1 0 249.351 0.103 10 0 BCAERO COCCN(CCOC)C(=O)CCCCC[NH3+] ZINC000036200093 174294533 /nfs/dbraw/zinc/29/45/33/174294533.db2.gz ZBXZYZRYLSUJEP-UHFFFAOYSA-N 1 0 246.351 0.627 10 0 BCAERO COCC[N@@H+]1CCN(Cc2ncc[nH]2)C[C@H]1C ZINC000111228009 174309377 /nfs/dbraw/zinc/30/93/77/174309377.db2.gz TXNLDAVMWDPPFC-LLVKDONJSA-N 1 0 238.335 0.562 10 0 BCAERO COCCN1CC[N@H+](CCCCCO)C[C@H]1C ZINC000105913484 174309570 /nfs/dbraw/zinc/30/95/70/174309570.db2.gz BURNKBHAECWMPM-CYBMUJFWSA-N 1 0 244.379 0.802 10 0 BCAERO COCC[N@@H+]1CCN(Cc2cocn2)C[C@@H]1C ZINC000191941447 174309995 /nfs/dbraw/zinc/30/99/95/174309995.db2.gz ZXGQQEDYMYAJOK-NSHDSACASA-N 1 0 239.319 0.827 10 0 BCAERO COCCN1CC[N@H+](CCCCCO)C[C@@H]1C ZINC000105913488 174310008 /nfs/dbraw/zinc/31/00/08/174310008.db2.gz BURNKBHAECWMPM-ZDUSSCGKSA-N 1 0 244.379 0.802 10 0 BCAERO COCCN1CC[N@H+](CCCCO)C[C@H]1C ZINC000105913412 174310676 /nfs/dbraw/zinc/31/06/76/174310676.db2.gz MWKILIFEQZUEKY-GFCCVEGCSA-N 1 0 230.352 0.411 10 0 BCAERO COCCN1CC[NH2+]C[C@H]1CC(C)C ZINC000062568719 174312014 /nfs/dbraw/zinc/31/20/14/174312014.db2.gz RAZMFEHGLKMCNS-LLVKDONJSA-N 1 0 200.326 0.953 10 0 BCAERO COCCN1C[C@@H](C[NH2+]C2CC2)CC1=O ZINC000077305036 174318088 /nfs/dbraw/zinc/31/80/88/174318088.db2.gz ZZGXAAZEBZKFBQ-SECBINFHSA-N 1 0 212.293 0.233 10 0 BCAERO COCC[NH2+]CC(=O)c1ccc(C)c(N)c1 ZINC000098124745 174331910 /nfs/dbraw/zinc/33/19/10/174331910.db2.gz MYBCTTSHQKBTSN-UHFFFAOYSA-N 1 0 222.288 0.996 10 0 BCAERO COCC[NH2+]CCN(C)CCn1ccnc1C ZINC000042428084 174332495 /nfs/dbraw/zinc/33/24/95/174332495.db2.gz HRSMRAFAUGCJDT-UHFFFAOYSA-N 1 0 240.351 0.359 10 0 BCAERO COCC[NH2+]CCNc1ncnc2nc[nH]c21 ZINC000111364867 174333449 /nfs/dbraw/zinc/33/34/49/174333449.db2.gz ZKVLXQDKAKZNJN-UHFFFAOYSA-N 1 0 236.279 0.001 10 0 BCAERO COCC[NH2+]C[C@H](O)COc1cccc(F)c1 ZINC000032100975 174334497 /nfs/dbraw/zinc/33/44/97/174334497.db2.gz HVZBNVKWAWVSPC-NSHDSACASA-N 1 0 243.278 0.801 10 0 BCAERO COCC[NH2+]C[C@H]1CCCCN1CCO ZINC000082646449 174334593 /nfs/dbraw/zinc/33/45/93/174334593.db2.gz WNOWJNIKQXLQPD-LLVKDONJSA-N 1 0 216.325 0.069 10 0 BCAERO COCC[NH2+]C[C@H](O)c1ccccc1OC ZINC000032014960 174335053 /nfs/dbraw/zinc/33/50/53/174335053.db2.gz KKJGRLONLKNAQT-NSHDSACASA-N 1 0 225.288 0.965 10 0 BCAERO COCC[NH2+][C@H](C)C(=O)NCC(C)C ZINC000034937529 174339096 /nfs/dbraw/zinc/33/90/96/174339096.db2.gz OWAJBXMCUVHKTH-SECBINFHSA-N 1 0 202.298 0.383 10 0 BCAERO COCCNc1cc(C(N)=S)ccn1 ZINC000019474867 174341223 /nfs/dbraw/zinc/34/12/23/174341223.db2.gz CUZURUQMCDICQB-UHFFFAOYSA-N 1 0 211.290 0.774 10 0 BCAERO COCCOCCCNC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000091545585 174349985 /nfs/dbraw/zinc/34/99/85/174349985.db2.gz SSFMDGCHAXMFFD-QWRGUYRKSA-N 1 0 244.335 0.283 10 0 BCAERO COCCOCCN1CC[C@H](C)C[C@H]1C[NH3+] ZINC000070027572 174355358 /nfs/dbraw/zinc/35/53/58/174355358.db2.gz VBGIBCQFXMHHJC-RYUDHWBXSA-N 1 0 230.352 0.709 10 0 BCAERO COCCOCCNC(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000055089759 174357542 /nfs/dbraw/zinc/35/75/42/174357542.db2.gz QMRGSHQIQOLTEZ-WDEREUQCSA-N 1 0 244.335 0.283 10 0 BCAERO COCCO[C@H]1CC2(CC[C@@H]1[NH3+])OCCO2 ZINC000019279375 174367140 /nfs/dbraw/zinc/36/71/40/174367140.db2.gz HBBRYJHUNWQGKT-UWVGGRQHSA-N 1 0 231.292 0.272 10 0 BCAERO COCCOc1ccc(-c2nnc(C[NH3+])[nH]2)cc1 ZINC000098128392 174367618 /nfs/dbraw/zinc/36/76/18/174367618.db2.gz APPWJNHQPQRLHB-UHFFFAOYSA-N 1 0 248.286 0.956 10 0 BCAERO COCCOc1ccc([C@@H]([NH3+])CO)cc1 ZINC000071518176 174368829 /nfs/dbraw/zinc/36/88/29/174368829.db2.gz PKFCZDCEUGHUEZ-NSHDSACASA-N 1 0 211.261 0.704 10 0 BCAERO COCC[C@@H]([NH3+])c1nnc2cc(C)ncn21 ZINC000052785343 174392860 /nfs/dbraw/zinc/39/28/60/174392860.db2.gz KZSZBGOSTMGMAA-MRVPVSSYSA-N 1 0 221.264 0.469 10 0 BCAERO COCC[C@@](C)(C[NH3+])N(C)Cc1nccn1C ZINC000062249618 174399708 /nfs/dbraw/zinc/39/97/08/174399708.db2.gz RQIBPQVNBYXALA-LBPRGKRZSA-N 1 0 240.351 0.606 10 0 BCAERO COC[C@@H](C)C(=O)N1CCCC[C@H]1C[NH3+] ZINC000237154300 174435669 /nfs/dbraw/zinc/43/56/69/174435669.db2.gz SOSPIKWGOFHUIO-ZJUUUORDSA-N 1 0 214.309 0.609 10 0 BCAERO CC(C)[C@@H]([NH3+])CC(=O)NC[C@H](O)C(C)(C)C ZINC000324559780 487628462 /nfs/dbraw/zinc/62/84/62/487628462.db2.gz YESHVHVTCBIJKO-UWVGGRQHSA-N 1 0 230.352 0.883 10 0 BCAERO CO[C@@H]1C[NH2+][C@H](C(=O)N(C)[C@H](C)C(C)C)C1 ZINC000042276822 174770346 /nfs/dbraw/zinc/77/03/46/174770346.db2.gz LBYGGQFKHWTPLC-VWYCJHECSA-N 1 0 228.336 0.866 10 0 BCAERO CO[C@H](C)[C@H](C)[NH2+][C@@H]1CCC(=O)N[C@H]1C ZINC000336762581 174851850 /nfs/dbraw/zinc/85/18/50/174851850.db2.gz NYBMCFZVYSXJNI-AXTSPUMRSA-N 1 0 214.309 0.667 10 0 BCAERO CO[C@H]1C[NH2+]C[C@@H]1NC(=O)c1ccc(C)o1 ZINC000036235834 174898631 /nfs/dbraw/zinc/89/86/31/174898631.db2.gz WRFQZSLVMKSNGU-WPRPVWTQSA-N 1 0 224.260 0.305 10 0 BCAERO CO[C@H]1C[NH2+]C[C@@H]1N1C(=O)CC(C)(C)CC1=O ZINC000061824969 174899079 /nfs/dbraw/zinc/89/90/79/174899079.db2.gz GDYYQOORZILLFU-IUCAKERBSA-N 1 0 240.303 0.148 10 0 BCAERO CO[C@H]1C[NH2+]C[C@H]1Nc1ccc(F)cn1 ZINC000041045484 174899926 /nfs/dbraw/zinc/89/99/26/174899926.db2.gz FKCXHIICNHRONC-BDAKNGLRSA-N 1 0 211.240 0.619 10 0 BCAERO CO[C@H]1C[C@H](CO)[N@H+](CCSC)C1 ZINC000308255595 174904998 /nfs/dbraw/zinc/90/49/98/174904998.db2.gz IXUMEVILMUUBGO-BDAKNGLRSA-N 1 0 205.323 0.431 10 0 BCAERO COc1c(F)cc(F)cc1[C@H](N)C[NH3+] ZINC000072200593 174930804 /nfs/dbraw/zinc/93/08/04/174930804.db2.gz UIDIZEWSIUAKGI-MRVPVSSYSA-N 1 0 202.204 0.932 10 0 BCAERO COc1cc(NCCC[NH+](C)C)ncn1 ZINC000082482191 175001886 /nfs/dbraw/zinc/00/18/86/175001886.db2.gz OYGKRGOMKAJDLC-UHFFFAOYSA-N 1 0 210.281 0.849 10 0 BCAERO COc1cc(OC)cc(OC(=O)NCC[NH3+])c1 ZINC000071550038 175010250 /nfs/dbraw/zinc/01/02/50/175010250.db2.gz IOLAOXCJZCXIJO-UHFFFAOYSA-N 1 0 240.259 0.751 10 0 BCAERO COc1cc(OC)cc(OC[C@](C)(O)C[NH3+])c1 ZINC000019668087 175010256 /nfs/dbraw/zinc/01/02/56/175010256.db2.gz CRZRWJTYXXPNHB-GFCCVEGCSA-N 1 0 241.287 0.792 10 0 BCAERO COc1cc(OC)nc(N2C[C@H]([NH3+])[C@@H](C)C2)n1 ZINC000234945246 175011558 /nfs/dbraw/zinc/01/15/58/175011558.db2.gz FYBDACVPATZGNM-YUMQZZPRSA-N 1 0 238.291 0.277 10 0 BCAERO COc1cc([C@@H](C)[NH3+])ccc1OCC(N)=O ZINC000022168050 175013500 /nfs/dbraw/zinc/01/35/00/175013500.db2.gz JHPBAQAJZHPKDY-SSDOTTSWSA-N 1 0 224.260 0.579 10 0 BCAERO COc1cc2c(cc1OC)CN(CC(N)=[NH2+])CC2 ZINC000019474027 175024117 /nfs/dbraw/zinc/02/41/17/175024117.db2.gz KEPWADWRIRIMNV-UHFFFAOYSA-N 1 0 249.314 0.998 10 0 BCAERO COc1ccc(-c2nnc(CC[NH3+])o2)cc1O ZINC000083361943 175041629 /nfs/dbraw/zinc/04/16/29/175041629.db2.gz FHQXBIQCTHNHFM-UHFFFAOYSA-N 1 0 235.243 0.952 10 0 BCAERO COc1ccc(C(=O)N[C@H]2CC[N@H+](C)C2)cc1N ZINC000042543557 175063634 /nfs/dbraw/zinc/06/36/34/175063634.db2.gz SVGGMBNFSLDRNH-JTQLQIEISA-N 1 0 249.314 0.711 10 0 BCAERO COc1ccc(C2(C[NH3+])OCCO2)cc1F ZINC000049820667 175084754 /nfs/dbraw/zinc/08/47/54/175084754.db2.gz HUOCQTMITQCIOK-UHFFFAOYSA-N 1 0 227.235 0.993 10 0 BCAERO COc1ccc(CC[NH3+])cc1O[C@@H](C)C(N)=O ZINC000037721805 175090267 /nfs/dbraw/zinc/09/02/67/175090267.db2.gz OLQRHWKCUPJRSC-QMMMGPOBSA-N 1 0 238.287 0.449 10 0 BCAERO COc1ccc(N2CC[C@]3(CC[NH2+]C3)C2)nn1 ZINC000090548207 175139790 /nfs/dbraw/zinc/13/97/90/175139790.db2.gz FRHPNOXRFLQUQI-LBPRGKRZSA-N 1 0 234.303 0.675 10 0 BCAERO COc1ccc(N2C[C@H]([NH3+])CC2=O)cc1F ZINC000035679800 175140185 /nfs/dbraw/zinc/14/01/85/175140185.db2.gz ROWWKDFUHZBYCS-SSDOTTSWSA-N 1 0 224.235 0.898 10 0 BCAERO COc1ccc(NC(=O)N[C@@H]2C[C@H]2[NH3+])cc1 ZINC000036263258 175144515 /nfs/dbraw/zinc/14/45/15/175144515.db2.gz QVTNEDALQJNENB-NXEZZACHSA-N 1 0 221.260 0.916 10 0 BCAERO COc1ccc(OC)c(N2CC[C@@H]([NH3+])C2=O)c1 ZINC000049647336 175166606 /nfs/dbraw/zinc/16/66/06/175166606.db2.gz JMTBYHGZOXGBQD-SECBINFHSA-N 1 0 236.271 0.768 10 0 BCAERO COc1ccc(OC)c(NC[C@@H](O)C[NH3+])c1 ZINC000032015188 175167418 /nfs/dbraw/zinc/16/74/18/175167418.db2.gz OCXPRZJEUMPORF-QMMMGPOBSA-N 1 0 226.276 0.435 10 0 BCAERO COc1ccc(OC)c([C@@](C)([NH3+])CO)c1 ZINC000038124447 175168030 /nfs/dbraw/zinc/16/80/30/175168030.db2.gz LRZIOEWVBGZOGD-NSHDSACASA-N 1 0 211.261 0.870 10 0 BCAERO COc1ccc(OCC(N)=O)c(C[C@@H](C)[NH3+])c1 ZINC000037722543 175171791 /nfs/dbraw/zinc/17/17/91/175171791.db2.gz MCBRYHUMPWBPQP-MRVPVSSYSA-N 1 0 238.287 0.449 10 0 BCAERO COc1ccc([C@@H]2CNC(=O)[C@H]2[NH3+])cc1 ZINC000082932411 175184008 /nfs/dbraw/zinc/18/40/08/175184008.db2.gz LLTQPIZFMLBEAR-UWVGGRQHSA-N 1 0 206.245 0.236 10 0 BCAERO COc1ccc([C@H]2CNC(=O)[C@@H]2[NH3+])cc1 ZINC000082932410 175195236 /nfs/dbraw/zinc/19/52/36/175195236.db2.gz LLTQPIZFMLBEAR-NXEZZACHSA-N 1 0 206.245 0.236 10 0 BCAERO COc1ccc([C@H]2OC[C@H](C[NH3+])O2)cc1O ZINC000049819922 175199349 /nfs/dbraw/zinc/19/93/49/175199349.db2.gz XVOGCTKEXJADJO-KWQFWETISA-N 1 0 225.244 0.774 10 0 BCAERO COc1cccc(-c2nc(CC[NH3+])cc(=O)[nH]2)c1 ZINC000058055727 175235904 /nfs/dbraw/zinc/23/59/04/175235904.db2.gz WMKMHVYLFFKFBG-UHFFFAOYSA-N 1 0 245.282 0.947 10 0 BCAERO COc1cccc(-c2nnc(C[NH3+])[nH]2)c1 ZINC000061843834 175236186 /nfs/dbraw/zinc/23/61/86/175236186.db2.gz HYHYWIKJHPTJRC-UHFFFAOYSA-N 1 0 204.233 0.939 10 0 BCAERO COc1cccc(CN2C[C@@H]([NH3+])CC2=O)c1 ZINC000038078083 175261000 /nfs/dbraw/zinc/26/10/00/175261000.db2.gz UXTAERNYONKXJL-JTQLQIEISA-N 1 0 220.272 0.755 10 0 BCAERO COc1cccc(N(C)S(=O)(=O)CC[NH3+])c1 ZINC000020261633 175274997 /nfs/dbraw/zinc/27/49/97/175274997.db2.gz VOHKUHSGWYDPJS-UHFFFAOYSA-N 1 0 244.316 0.420 10 0 BCAERO COc1cccc(NCCN2CC[NH2+]CC2)n1 ZINC000104116210 175277923 /nfs/dbraw/zinc/27/79/23/175277923.db2.gz MILCKBPOUXKIER-UHFFFAOYSA-N 1 0 236.319 0.407 10 0 BCAERO COc1cccc(NCc2nnc(CC[NH3+])[nH]2)c1 ZINC000072236551 175279532 /nfs/dbraw/zinc/27/95/32/175279532.db2.gz HECSBCLRGRMIRS-UHFFFAOYSA-N 1 0 247.302 0.927 10 0 BCAERO COc1cccc(OC)c1OC[C@@](C)(O)C[NH3+] ZINC000019668077 175282454 /nfs/dbraw/zinc/28/24/54/175282454.db2.gz YNRZNAMQWFSLFY-LBPRGKRZSA-N 1 0 241.287 0.792 10 0 BCAERO COc1cccc(OCCNC(=O)[C@H](C)[NH3+])c1 ZINC000041280203 175283285 /nfs/dbraw/zinc/28/32/85/175283285.db2.gz GUNQEGQNSXCIRT-VIFPVBQESA-N 1 0 238.287 0.537 10 0 BCAERO COc1cccc(OC[C@@H](O)CC[NH3+])c1 ZINC000020399759 175284253 /nfs/dbraw/zinc/28/42/53/175284253.db2.gz GAZWDGKGQFFPPK-VIFPVBQESA-N 1 0 211.261 0.784 10 0 BCAERO COc1cccc(O[C@@H](C)C(=O)NCC[NH3+])c1 ZINC000019787162 175284274 /nfs/dbraw/zinc/28/42/74/175284274.db2.gz PNFFJZZRTLFLPE-VIFPVBQESA-N 1 0 238.287 0.537 10 0 BCAERO COc1cccc(S(=O)(=O)CCC[NH3+])c1 ZINC000019518265 175284654 /nfs/dbraw/zinc/28/46/54/175284654.db2.gz KETGLMUXAWEUCH-UHFFFAOYSA-N 1 0 229.301 0.818 10 0 BCAERO COc1cccc([C@@H]([NH3+])CN2C(=O)CCC2=O)c1 ZINC000023068199 175289215 /nfs/dbraw/zinc/28/92/15/175289215.db2.gz GRLNDGMNOUKEGY-NSHDSACASA-N 1 0 248.282 0.844 10 0 BCAERO COc1cccc([C@H](C(N)=O)N2CC[NH2+]CC2)c1 ZINC000037945720 175292762 /nfs/dbraw/zinc/29/27/62/175292762.db2.gz AOGUBTJGEBDGDA-GFCCVEGCSA-N 1 0 249.314 0.127 10 0 BCAERO COc1ccccc1CC(=O)N[C@@H]1C[C@H]1[NH3+] ZINC000036235029 175321266 /nfs/dbraw/zinc/32/12/66/175321266.db2.gz JYBLXIZOYYZLNQ-NXEZZACHSA-N 1 0 220.272 0.454 10 0 BCAERO COc1ccccc1NS(=O)(=O)CC[NH3+] ZINC000011570267 175338746 /nfs/dbraw/zinc/33/87/46/175338746.db2.gz MRYVXZOYFQIHBO-UHFFFAOYSA-N 1 0 230.289 0.396 10 0 BCAERO COc1ccccc1[C@@H](C[NH3+])n1cncn1 ZINC000043098644 175346203 /nfs/dbraw/zinc/34/62/03/175346203.db2.gz JEWAPZDJHYSOHS-SNVBAGLBSA-N 1 0 218.260 0.835 10 0 BCAERO COc1ccnc(N(C)[C@@H]2CC[NH2+]C2)n1 ZINC000070896892 175361208 /nfs/dbraw/zinc/36/12/08/175361208.db2.gz FADJQDBCLUFLPI-MRVPVSSYSA-N 1 0 208.265 0.283 10 0 BCAERO COc1ccnc(NC[C@H]2CCC[NH2+]C2)n1 ZINC000044503007 175366129 /nfs/dbraw/zinc/36/61/29/175366129.db2.gz VFJGFWGMPXTPGH-VIFPVBQESA-N 1 0 222.292 0.897 10 0 BCAERO COc1ccnc(OC[C@@H]2CCC[NH2+]2)n1 ZINC000051866283 175368548 /nfs/dbraw/zinc/36/85/48/175368548.db2.gz KBXDFRBGWGEKJS-QMMMGPOBSA-N 1 0 209.249 0.616 10 0 BCAERO COc1ccnc(OC[C@H]2CC[NH2+]C2)n1 ZINC000051888655 175368616 /nfs/dbraw/zinc/36/86/16/175368616.db2.gz OMDBDYGFAKSFQD-QMMMGPOBSA-N 1 0 209.249 0.474 10 0 BCAERO COc1cncc(N2C[C@H]3C[C@@H]2C[NH2+]3)c1 ZINC000052634800 175386608 /nfs/dbraw/zinc/38/66/08/175386608.db2.gz WTIVOXCWVQKFER-RKDXNWHRSA-N 1 0 205.261 0.641 10 0 BCAERO COc1cncc(N2C[C@H]3C[NH2+][C@H]3C2)c1 ZINC000028866027 175386670 /nfs/dbraw/zinc/38/66/70/175386670.db2.gz RBXPHLOPXMOBNI-KCJUWKMLSA-N 1 0 205.261 0.498 10 0 BCAERO COc1nc(Cl)nc(OC[C@H]2CC[NH2+]C2)n1 ZINC000061515021 175392604 /nfs/dbraw/zinc/39/26/04/175392604.db2.gz WJKRNDOZJQTAEP-LURJTMIESA-N 1 0 244.682 0.522 10 0 BCAERO COc1nc(Cl)nc(N[C@@H]2CC[N@H+](C)C2)n1 ZINC000061514341 175392615 /nfs/dbraw/zinc/39/26/15/175392615.db2.gz MGPAPZNMUIVGGB-ZCFIWIBFSA-N 1 0 243.698 0.650 10 0 BCAERO COc1nc(NC(C)(C)C)nc(NN)[nH+]1 ZINC000075621728 175395437 /nfs/dbraw/zinc/39/54/37/175395437.db2.gz FTOPYYQBPIZABQ-UHFFFAOYSA-N 1 0 212.257 0.376 10 0 BCAERO COc1nccnc1CN[C@H]1CCC[NH2+]C1 ZINC000095071601 175413361 /nfs/dbraw/zinc/41/33/61/175413361.db2.gz GGMSVEWWXUKVHP-VIFPVBQESA-N 1 0 222.292 0.327 10 0 BCAERO CS(=O)(=O)CCC[NH2+][C@@H]1CCCCC[C@H]1O ZINC000038047823 175421077 /nfs/dbraw/zinc/42/10/77/175421077.db2.gz JBYMIIKCUHXMAL-GHMZBOCLSA-N 1 0 249.376 0.704 10 0 BCAERO CS(=O)(=O)C[C@@H]([NH3+])Cc1cccc(F)c1F ZINC000060705374 175424495 /nfs/dbraw/zinc/42/44/95/175424495.db2.gz JVWXKBJZRHWUPA-QMMMGPOBSA-N 1 0 249.282 0.879 10 0 BCAERO CS(=O)(=O)CC[C@@H]1CCCC[C@H]1[NH3+] ZINC000042401677 175424585 /nfs/dbraw/zinc/42/45/85/175424585.db2.gz ISUHSMCJPNIARH-DTWKUNHWSA-N 1 0 205.323 0.939 10 0 BCAERO CS(=O)(=O)c1ccc2[nH]c(CC[NH3+])nc2c1 ZINC000050227349 175438465 /nfs/dbraw/zinc/43/84/65/175438465.db2.gz LGVWCLJFUZPAFO-UHFFFAOYSA-N 1 0 239.300 0.468 10 0 BCAERO CSCC[NH2+][C@@H]1CCS(=O)(=O)C1 ZINC000049633255 175498779 /nfs/dbraw/zinc/49/87/79/175498779.db2.gz JSRKLTCNNXDVBM-SSDOTTSWSA-N 1 0 209.336 0.126 10 0 BCAERO C[C@@H](CC[NH3+])C(=O)NCc1ccccn1 ZINC000076584026 175672242 /nfs/dbraw/zinc/67/22/42/175672242.db2.gz NDUIGXVUBGJGSJ-VIFPVBQESA-N 1 0 207.277 0.683 10 0 BCAERO C[C@@H](CN(C)c1nccn(C2CC2)c1=O)C(N)=[NH2+] ZINC000061761904 175703404 /nfs/dbraw/zinc/70/34/04/175703404.db2.gz ODUBCWQOVBRHRT-QMMMGPOBSA-N 1 0 249.318 0.586 10 0 BCAERO C[C@@H](CO)[C@@H](C)NC(=O)c1ccc(C[NH3+])cc1 ZINC000169274933 175760372 /nfs/dbraw/zinc/76/03/72/175760372.db2.gz BSRDITASEPIWSE-VHSXEESVSA-N 1 0 236.315 0.892 10 0 BCAERO C[C@@H](Cn1ccnc1)[NH2+][C@H]1CCN(C)C1 ZINC000061988807 175784165 /nfs/dbraw/zinc/78/41/65/175784165.db2.gz NOTBVNXPFRRVEH-QWRGUYRKSA-N 1 0 208.309 0.565 10 0 BCAERO C[C@@H]([NH3+])CC(=O)Nc1ccccc1-n1cnnn1 ZINC000037608126 175803620 /nfs/dbraw/zinc/80/36/20/175803620.db2.gz DHIVQVOMASAILZ-MRVPVSSYSA-N 1 0 246.274 0.338 10 0 BCAERO C[C@@H]([NH3+])CC(=O)Nc1ccc2oc(=O)[nH]c2c1 ZINC000037608469 175803689 /nfs/dbraw/zinc/80/36/89/175803689.db2.gz XOJBFKWSVIFAIM-ZCFIWIBFSA-N 1 0 235.243 0.797 10 0 BCAERO C[C@@H](NC(=O)CCC[NH3+])[C@H]1CCCO1 ZINC000035734979 175830186 /nfs/dbraw/zinc/83/01/86/175830186.db2.gz AORALWPGACOBKX-RKDXNWHRSA-N 1 0 200.282 0.409 10 0 BCAERO C[C@@H](Nc1ccnc(C(N)=O)c1)[C@@H]1CCC[NH2+]C1 ZINC000050163774 175934983 /nfs/dbraw/zinc/93/49/83/175934983.db2.gz KJMRMHYZKVJXQH-NXEZZACHSA-N 1 0 248.330 0.981 10 0 BCAERO C[C@@H](O)CN(C)C(=O)C[C@@H]1CCCC[NH2+]1 ZINC000051839572 175963565 /nfs/dbraw/zinc/96/35/65/175963565.db2.gz SCTVOWAKBIKFBA-ZJUUUORDSA-N 1 0 214.309 0.358 10 0 BCAERO C[C@@H](O)CNC(=O)C1CCC([NH3+])CC1 ZINC000037482076 175976590 /nfs/dbraw/zinc/97/65/90/175976590.db2.gz CZQGDZMQACPBJD-AFPNSQJFSA-N 1 0 200.282 0.001 10 0 BCAERO C[C@@H](O[C@@H]1CCC[NH2+]C1)C(=O)N(C)C ZINC000020422837 176003211 /nfs/dbraw/zinc/00/32/11/176003211.db2.gz VRADJHFOQVKIBY-RKDXNWHRSA-N 1 0 200.282 0.232 10 0 BCAERO C[C@@H](O[C@@H]1CCC[NH2+]C1)C(=O)NC1CC1 ZINC000020422761 176003351 /nfs/dbraw/zinc/00/33/51/176003351.db2.gz DVMFUIWZTPTNLK-PSASIEDQSA-N 1 0 212.293 0.422 10 0 BCAERO C[C@@H](O[C@H]1CC[NH2+]C1)C(=O)NC1CCCC1 ZINC000051782147 176004144 /nfs/dbraw/zinc/00/41/44/176004144.db2.gz UFZJMPSTQZTVPC-KOLCDFICSA-N 1 0 226.320 0.812 10 0 BCAERO C[C@@H](Sc1nccn1C)C1=[NH+]CCN1 ZINC000039108971 176010429 /nfs/dbraw/zinc/01/04/29/176010429.db2.gz FIVOCQQTKHPJCP-SSDOTTSWSA-N 1 0 210.306 0.902 10 0 BCAERO C[C@@H]([C@@H]1CCC[NH2+]C1)N1CCS(=O)(=O)CC1 ZINC000050164345 176012440 /nfs/dbraw/zinc/01/24/40/176012440.db2.gz QRTYFWJQMJFPFP-WDEREUQCSA-N 1 0 246.376 0.105 10 0 BCAERO C[C@@H]1CC(=O)N(CC2CC[NH2+]CC2)C1=O ZINC000038051912 176048657 /nfs/dbraw/zinc/04/86/57/176048657.db2.gz KXVWYDQLKQHSBU-MRVPVSSYSA-N 1 0 210.277 0.381 10 0 BCAERO C[C@H]([C@@H]1CCCC[NH2+]1)N1C(=O)C[C@@H](C)C1=O ZINC000103378844 176048834 /nfs/dbraw/zinc/04/88/34/176048834.db2.gz ABVPOOWFTDLLBE-BBBLOLIVSA-N 1 0 224.304 0.912 10 0 BCAERO C[C@@H]1CC(=O)N(c2cccc(OCC[NH3+])c2)C1=O ZINC000038051798 176049389 /nfs/dbraw/zinc/04/93/89/176049389.db2.gz SAEWKQPSRMNDHN-SECBINFHSA-N 1 0 248.282 0.924 10 0 BCAERO C[C@@H]1CC([NH2+]CCOCCO)C[C@@H](C)O1 ZINC000096033745 176055042 /nfs/dbraw/zinc/05/50/42/176055042.db2.gz NCSQGVIJZPJBPS-NXEZZACHSA-N 1 0 217.309 0.541 10 0 BCAERO C[C@@H]1CCCC[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC000042862787 176084201 /nfs/dbraw/zinc/08/42/01/176084201.db2.gz MBYSKWQZCKSCEH-BDAKNGLRSA-N 1 0 227.308 0.597 10 0 BCAERO C[C@H](C(=O)N1CCC[C@@H](C)C1)N1CC[NH2+]CC1 ZINC000019977216 176093927 /nfs/dbraw/zinc/09/39/27/176093927.db2.gz NLJLGRZCGRBJLZ-VXGBXAGGSA-N 1 0 239.363 0.539 10 0 BCAERO C[C@@H]1CCCN(S(=O)(=O)CCCC[NH3+])C1 ZINC000020180161 176103142 /nfs/dbraw/zinc/10/31/42/176103142.db2.gz CNJHKFMUMLRYNV-SNVBAGLBSA-N 1 0 234.365 0.787 10 0 BCAERO C[C@@H]1CCCN1C1(C[NH3+])CCS(=O)(=O)CC1 ZINC000042332379 176107602 /nfs/dbraw/zinc/10/76/02/176107602.db2.gz OHHWVPJBQVCLSB-SNVBAGLBSA-N 1 0 246.376 0.377 10 0 BCAERO C[C@@H]1CCC[NH2+][C@H]1C(=O)N1CCC[C@@H]1CO ZINC000051793319 176112627 /nfs/dbraw/zinc/11/26/27/176112627.db2.gz WNNOMGPXPCGYRV-GMTAPVOTSA-N 1 0 226.320 0.358 10 0 BCAERO C[C@@H]1CCC[C@@H](C(=O)N2CCC(O)CC2)[NH2+]1 ZINC000019430760 176112666 /nfs/dbraw/zinc/11/26/66/176112666.db2.gz DEDLGVFRMOHSEA-KOLCDFICSA-N 1 0 226.320 0.500 10 0 BCAERO C[C@@H]1CCC[C@@H](C(=O)NC2CCC(O)CC2)[NH2+]1 ZINC000019517960 176112922 /nfs/dbraw/zinc/11/29/22/176112922.db2.gz ZWZZCSMOIFIRBT-YYJSSNLHSA-N 1 0 240.347 0.937 10 0 BCAERO C[C@@H]1CCC[C@@H](C)C1[NH2+]CCS(N)(=O)=O ZINC000036745442 176113131 /nfs/dbraw/zinc/11/31/31/176113131.db2.gz IIQURWOYSNSJOK-RKDXNWHRSA-N 1 0 234.365 0.689 10 0 BCAERO C[C@@H]1CCC[C@@H](CNC(=O)NC2CC2)[NH2+]1 ZINC000054457143 176118923 /nfs/dbraw/zinc/11/89/23/176118923.db2.gz RSIQVQTWUPOUOE-SCZZXKLOSA-N 1 0 211.309 0.979 10 0 BCAERO C[C@@H]1CCC[C@@H](CNS(C)(=O)=O)[NH2+]1 ZINC000051574265 176119169 /nfs/dbraw/zinc/11/91/69/176119169.db2.gz XDBMSTWAMXQTQI-SFYZADRCSA-N 1 0 206.311 0.066 10 0 BCAERO C[C@@H]1CCC[C@@H]([NH2+]CCS(N)(=O)=O)C1 ZINC000036745445 176123184 /nfs/dbraw/zinc/12/31/84/176123184.db2.gz SDLZCCDUYQHBNY-RKDXNWHRSA-N 1 0 220.338 0.443 10 0 BCAERO C[C@@H]1CCC[C@@](CO)(NC(=O)CC[NH3+])C1 ZINC000053127795 176133743 /nfs/dbraw/zinc/13/37/43/176133743.db2.gz QGGPNIVBZRVXEW-MWLCHTKSSA-N 1 0 214.309 0.393 10 0 BCAERO C[C@@H]1CCC[C@@](C[NH3+])(N(C)S(C)(=O)=O)C1 ZINC000050092845 176133771 /nfs/dbraw/zinc/13/37/71/176133771.db2.gz NXOZYXGUTYUMNG-NXEZZACHSA-N 1 0 234.365 0.785 10 0 BCAERO C[C@@H]1CCC[C@@](C[NH3+])(N2C(=O)COCC2=O)C1 ZINC000104310165 176134193 /nfs/dbraw/zinc/13/41/93/176134193.db2.gz QBABCCYTVJPAMT-BXKDBHETSA-N 1 0 240.303 0.279 10 0 BCAERO C[C@@H]1CCC[C@@](CO)([NH2+]Cc2cn(C)nn2)C1 ZINC000054861207 176134210 /nfs/dbraw/zinc/13/42/10/176134210.db2.gz IVRSRXVITPAZNB-ZYHUDNBSSA-N 1 0 238.335 0.846 10 0 BCAERO C[C@@H]1CCC[C@H](C(=O)N2CCN(C)CC2)[NH2+]1 ZINC000019488486 176135798 /nfs/dbraw/zinc/13/57/98/176135798.db2.gz RMRIGWPTBQXIFP-GHMZBOCLSA-N 1 0 225.336 0.291 10 0 BCAERO C[C@@H]1CCC[C@H](C(=O)NC[C@@H]2COCCO2)[NH2+]1 ZINC000038063075 176135895 /nfs/dbraw/zinc/13/58/95/176135895.db2.gz DOVWFRXKPCCKIN-GMTAPVOTSA-N 1 0 242.319 0.049 10 0 BCAERO C[C@@H]1CCC[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC000037255659 176143609 /nfs/dbraw/zinc/14/36/09/176143609.db2.gz LVIWAKNZAGRMOD-SFYZADRCSA-N 1 0 213.281 0.350 10 0 BCAERO C[C@@H]1CCC[C@H](NS(=O)(=O)CC[NH3+])[C@@H]1C ZINC000019256495 176144494 /nfs/dbraw/zinc/14/44/94/176144494.db2.gz ZACOIGMLQRGQNW-BBBLOLIVSA-N 1 0 234.365 0.689 10 0 BCAERO C[C@@H]1CCC[C@H](c2nnnn2CC[NH3+])C1 ZINC000044981485 176146807 /nfs/dbraw/zinc/14/68/07/176146807.db2.gz RNLSETKKZFDIEA-BDAKNGLRSA-N 1 0 209.297 0.926 10 0 BCAERO C[C@@H]1CCN(C(=O)C2(C[NH3+])CCOCC2)C1 ZINC000044763186 176153644 /nfs/dbraw/zinc/15/36/44/176153644.db2.gz HUSWUSISYBAISK-SNVBAGLBSA-N 1 0 226.320 0.610 10 0 BCAERO C[C@@H]1CCN(C(=O)C2CCOCC2)[C@@H](C[NH3+])C1 ZINC000235318730 176154389 /nfs/dbraw/zinc/15/43/89/176154389.db2.gz ADLIDOQJHAOYJF-ZYHUDNBSSA-N 1 0 240.347 0.999 10 0 BCAERO C[C@H](C(=O)N1CC[C@@H](C)C1)N1CC[NH2+]CC1 ZINC000040725551 176159978 /nfs/dbraw/zinc/15/99/78/176159978.db2.gz UHMFQEZDLZEUFR-GHMZBOCLSA-N 1 0 225.336 0.149 10 0 BCAERO C[C@@H]1CCN(CC(=O)NCC2CC2)[C@@H](C[NH3+])C1 ZINC000224843560 176166092 /nfs/dbraw/zinc/16/60/92/176166092.db2.gz QEYNOQDJCWKZGB-ZYHUDNBSSA-N 1 0 239.363 0.572 10 0 BCAERO C[C@@H]1CCN(Cc2cncn2C)[C@@H](C[NH3+])C1 ZINC000235341868 176178127 /nfs/dbraw/zinc/17/81/27/176178127.db2.gz KJHHWXNYZLQCJH-GHMZBOCLSA-N 1 0 222.336 0.979 10 0 BCAERO C[C@@H]1CC[C@@H](C(=O)N2CCC(O)CC2)C[NH2+]1 ZINC000019470160 176194505 /nfs/dbraw/zinc/19/45/05/176194505.db2.gz FLLSSWKOFZCDTB-NXEZZACHSA-N 1 0 226.320 0.358 10 0 BCAERO C[C@@H]1CC[C@@H](C(=O)NCCC[NH+](C)C)O1 ZINC000121907355 176195380 /nfs/dbraw/zinc/19/53/80/176195380.db2.gz YOMXXRUDLTYTBF-ZJUUUORDSA-N 1 0 214.309 0.622 10 0 BCAERO C[C@@H]1CC[C@@H](C(=O)NC2CCOCC2)C[NH2+]1 ZINC000036319914 176195800 /nfs/dbraw/zinc/19/58/00/176195800.db2.gz NCQLMRRFGRBQSN-NXEZZACHSA-N 1 0 226.320 0.670 10 0 BCAERO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1[C@@H]1CCCC[C@@H]1O ZINC000042438559 176196248 /nfs/dbraw/zinc/19/62/48/176196248.db2.gz YOWWWDQNCODNAQ-KKOKHZNYSA-N 1 0 240.347 0.876 10 0 BCAERO C[C@@H]1CN(C(=O)CCc2ccncc2)C[C@H]1[NH3+] ZINC000235327958 176246697 /nfs/dbraw/zinc/24/66/97/176246697.db2.gz AGUYBHDTTIDQNS-ZYHUDNBSSA-N 1 0 233.315 0.820 10 0 BCAERO C[C@@H]1CN(C(=O)[C@](C)([NH3+])C2CC2)CCCO1 ZINC000061920375 176258898 /nfs/dbraw/zinc/25/88/98/176258898.db2.gz JCCALAZXDUCYAL-BXKDBHETSA-N 1 0 226.320 0.751 10 0 BCAERO C[C@@H]1CN(C(=O)c2cncc(O)c2)C[C@@H](C)[NH2+]1 ZINC000070076309 176264169 /nfs/dbraw/zinc/26/41/69/176264169.db2.gz XUSJRGBITPFBCU-RKDXNWHRSA-N 1 0 235.287 0.610 10 0 BCAERO C[C@@H]1CN(C(=O)c2ncccc2O)C[C@H]1[NH+](C)C ZINC000089710432 176265867 /nfs/dbraw/zinc/26/58/67/176265867.db2.gz XOIXVPUJBLPMRR-NXEZZACHSA-N 1 0 249.314 0.809 10 0 BCAERO C[C@@H]1CN(CC(=O)c2nccs2)CC[NH2+]1 ZINC000095069483 176284368 /nfs/dbraw/zinc/28/43/68/176284368.db2.gz KUIWKNBQQGXLFO-MRVPVSSYSA-N 1 0 225.317 0.620 10 0 BCAERO C[C@@H]1CN(CCc2cnn(C)c2)C[C@@H]1[NH3+] ZINC000235325872 176295885 /nfs/dbraw/zinc/29/58/85/176295885.db2.gz JTGDJMIRGWMQBV-KOLCDFICSA-N 1 0 208.309 0.242 10 0 BCAERO C[C@@H]1CN(C[C@]2(C[NH3+])CCCOC2)C[C@@H](C)O1 ZINC000104321308 176302061 /nfs/dbraw/zinc/30/20/61/176302061.db2.gz DMZBRXGGVKEPRS-JHJVBQTASA-N 1 0 242.363 0.851 10 0 BCAERO C[C@@H]1CN(Cc2ccc(C[NH3+])o2)CCO1 ZINC000052382415 176302716 /nfs/dbraw/zinc/30/27/16/176302716.db2.gz KOSMAVLBTJPULI-SECBINFHSA-N 1 0 210.277 0.959 10 0 BCAERO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H](O)[C@@H]1O ZINC000090733375 176305860 /nfs/dbraw/zinc/30/58/60/176305860.db2.gz QDARHTWIIRQYKT-RAIGVLPGSA-N 1 0 221.300 0.860 10 0 BCAERO C[C@@H]1CN(Cc2cccnc2C(N)=[NH2+])CCCO1 ZINC000061918990 176307815 /nfs/dbraw/zinc/30/78/15/176307815.db2.gz QTUQZQVVIUMWRW-SNVBAGLBSA-N 1 0 248.330 0.976 10 0 BCAERO C[C@@H]1CN(Cc2cccnc2)C[C@H](C[NH3+])O1 ZINC000071523400 176308025 /nfs/dbraw/zinc/30/80/25/176308025.db2.gz UNZIINZOXHZMFF-PWSUYJOCSA-N 1 0 221.304 0.630 10 0 BCAERO C[C@@H]1CN(S(=O)(=O)c2ccccc2)C[C@@H]1[NH3+] ZINC000235369170 176314636 /nfs/dbraw/zinc/31/46/36/176314636.db2.gz YDAUZDCIBHNEBL-KOLCDFICSA-N 1 0 240.328 0.654 10 0 BCAERO C[C@@H]1CN([C@]2(C[NH3+])CCSC2)CCCO1 ZINC000061916203 176318397 /nfs/dbraw/zinc/31/83/97/176318397.db2.gz HSMQHRXNXLFLJN-MNOVXSKESA-N 1 0 230.377 0.932 10 0 BCAERO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1Cc1ncnn1C ZINC000371867606 176322837 /nfs/dbraw/zinc/32/28/37/176322837.db2.gz GPHMIWYOYMNNMZ-NEPJUHHUSA-N 1 0 249.362 0.874 10 0 BCAERO C[C@@H]1C[NH+]=C(NC[C@H]2CCS(=O)(=O)C2)S1 ZINC000050602960 176323792 /nfs/dbraw/zinc/32/37/92/176323792.db2.gz UPNAJXONTWBNIU-HTQZYQBOSA-N 1 0 248.373 0.502 10 0 BCAERO C[C@@H]1CNCC[N@H+](C[C@@H]2CCCOC2)C1 ZINC000044982836 176325515 /nfs/dbraw/zinc/32/55/15/176325515.db2.gz YBXFGFCZWWEVFQ-NEPJUHHUSA-N 1 0 212.337 0.954 10 0 BCAERO C[C@@H]1C[NH2+]CCN1C[C@@H]1CCOCO1 ZINC000054373737 176326530 /nfs/dbraw/zinc/32/65/30/176326530.db2.gz RYNXWDXPLBIING-ZJUUUORDSA-N 1 0 200.282 0.043 10 0 BCAERO C[C@@H]1C[NH2+]CCN1c1nc2cccnc2[nH]1 ZINC000095069589 176327700 /nfs/dbraw/zinc/32/77/00/176327700.db2.gz CWDSLXSXFQJUQH-MRVPVSSYSA-N 1 0 217.276 0.756 10 0 BCAERO C[C@@H]1C[NH2+]C[C@@H]1C(=O)NCCc1ccc(O)cc1 ZINC000104227198 176329006 /nfs/dbraw/zinc/32/90/06/176329006.db2.gz ABWJRELVMWVQKA-MFKMUULPSA-N 1 0 248.326 0.906 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCO[C@@H]2CCC[C@H]21 ZINC000227169721 176330112 /nfs/dbraw/zinc/33/01/12/176330112.db2.gz JHJOZICZNMFKEC-DDHJBXDOSA-N 1 0 238.331 0.622 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCn2ccnc2C1 ZINC000104228869 176330319 /nfs/dbraw/zinc/33/03/19/176330319.db2.gz XYLFRUCZPXVFBD-NXEZZACHSA-N 1 0 234.303 0.081 10 0 BCAERO C[C@@H]1COCCN1C(=O)C[C@H]1CCC[NH2+]C1 ZINC000054290833 176333918 /nfs/dbraw/zinc/33/39/18/176333918.db2.gz MWUFISZYDURCEO-GHMZBOCLSA-N 1 0 226.320 0.623 10 0 BCAERO C[C@@H]1COCCN1C(=O)C[C@@H]1CCC[NH2+]1 ZINC000042166118 176334107 /nfs/dbraw/zinc/33/41/07/176334107.db2.gz YNBGGPSAADORON-ZJUUUORDSA-N 1 0 212.293 0.376 10 0 BCAERO C[C@@H]1COCCN1C(=O)[C@](C)([NH3+])C1CC1 ZINC000037479004 176334509 /nfs/dbraw/zinc/33/45/09/176334509.db2.gz SNGYFISNYLBWOT-LDYMZIIASA-N 1 0 212.293 0.361 10 0 BCAERO C[C@@H]1COCCN1C(=O)c1ccnc(C[NH3+])c1 ZINC000129985666 176334518 /nfs/dbraw/zinc/33/45/18/176334518.db2.gz FCESVAHXDWMXMK-SECBINFHSA-N 1 0 235.287 0.401 10 0 BCAERO C[C@@H]1COCCN1C(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000055087323 176334944 /nfs/dbraw/zinc/33/49/44/176334944.db2.gz UXHDIIDQEOEYMT-MXWKQRLJSA-N 1 0 226.320 0.751 10 0 BCAERO C[C@@H]1COCCN1[C@@H](C[NH3+])c1cnn(C)c1 ZINC000035774860 176337349 /nfs/dbraw/zinc/33/73/49/176337349.db2.gz UAWJQLBAZURKQS-KOLCDFICSA-N 1 0 224.308 0.141 10 0 BCAERO C[C@@H]1CSC(NC[C@@H]2COCCO2)=[NH+]1 ZINC000038062807 176349269 /nfs/dbraw/zinc/34/92/69/176349269.db2.gz WOZNJLMXSKFWNE-HTQZYQBOSA-N 1 0 216.306 0.483 10 0 BCAERO C[C@@H]1CSC(NCc2nncn2C)=[NH+]1 ZINC000050420770 176349279 /nfs/dbraw/zinc/34/92/79/176349279.db2.gz IEHLKONEKZZDMS-ZCFIWIBFSA-N 1 0 211.294 0.396 10 0 BCAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+][C@@H]1CCSC1 ZINC000306469288 176455132 /nfs/dbraw/zinc/45/51/32/176455132.db2.gz PCGPTXKUYXGXGN-YIZRAAEISA-N 1 0 214.334 0.749 10 0 BCAERO C[C@@]([NH3+])(C(=O)NC[C@H]1CCCO1)C1CC1 ZINC000037478827 176510716 /nfs/dbraw/zinc/51/07/16/176510716.db2.gz FTSAOZOWCDZAPY-KOLCDFICSA-N 1 0 212.293 0.409 10 0 BCAERO C[C@@]([NH3+])(C(=O)N1CCCOCC1)C1CC1 ZINC000061920567 176510924 /nfs/dbraw/zinc/51/09/24/176510924.db2.gz VWVSQBWBZDTVDI-NSHDSACASA-N 1 0 212.293 0.363 10 0 BCAERO C[C@@]([NH3+])(C(=O)NCc1ccncc1)C1CC1 ZINC000037478865 176511389 /nfs/dbraw/zinc/51/13/89/176511389.db2.gz NIQICSXQYVLBHP-LBPRGKRZSA-N 1 0 219.288 0.825 10 0 BCAERO C[C@@]([NH3+])(C(=O)NCCc1ccncc1)C1CC1 ZINC000048262396 176511432 /nfs/dbraw/zinc/51/14/32/176511432.db2.gz WNTFDTMZYLOVSW-ZDUSSCGKSA-N 1 0 233.315 0.868 10 0 BCAERO C[C@@]([NH3+])(CN1CCS(=O)CC1)C1CC1 ZINC000049692989 176511875 /nfs/dbraw/zinc/51/18/75/176511875.db2.gz XPPDPLFKQPYHNC-SNVBAGLBSA-N 1 0 216.350 0.178 10 0 BCAERO C[C@H](C[NH3+])CCC(=O)NC[C@H]1CCCO1 ZINC000076608349 176657292 /nfs/dbraw/zinc/65/72/92/176657292.db2.gz KKHMFHIRHIITIZ-VHSXEESVSA-N 1 0 214.309 0.657 10 0 BCAERO C[C@H](C[NH3+])CN(C)c1nnnn1-c1ccccc1 ZINC000042455651 176658088 /nfs/dbraw/zinc/65/80/88/176658088.db2.gz DCBZCAYXVDWALF-SNVBAGLBSA-N 1 0 246.318 0.693 10 0 BCAERO C[C@H](C[NH3+])Cc1nnnn1-c1ccccc1 ZINC000052946796 176659794 /nfs/dbraw/zinc/65/97/94/176659794.db2.gz QYQACRRZDHTMPD-VIFPVBQESA-N 1 0 217.276 0.800 10 0 BCAERO C[C@H](CO)N(C)C(=O)N[C@@H]1CC[C@H]([NH+](C)C)C1 ZINC000338668801 176696642 /nfs/dbraw/zinc/69/66/42/176696642.db2.gz OLIRAVOCKUGEAX-MXWKQRLJSA-N 1 0 243.351 0.491 10 0 BCAERO C[C@H](Cn1cccn1)[NH2+]C[C@@H]1CN(C)CCO1 ZINC000106388204 176730962 /nfs/dbraw/zinc/73/09/62/176730962.db2.gz SAMJOFXVIRNSES-VXGBXAGGSA-N 1 0 238.335 0.192 10 0 BCAERO C[C@H]([NH3+])CC(=O)N(C)Cc1ccc(C(N)=O)cc1 ZINC000037806052 176755012 /nfs/dbraw/zinc/75/50/12/176755012.db2.gz WIGBXSACGLBSCF-VIFPVBQESA-N 1 0 249.314 0.481 10 0 BCAERO C[C@H]([NH3+])CC(=O)N1CCO[C@H]2CCC[C@@H]21 ZINC000043427600 176755833 /nfs/dbraw/zinc/75/58/33/176755833.db2.gz NBDNVOVBQKVZBW-GUBZILKMSA-N 1 0 212.293 0.504 10 0 BCAERO C[C@H]([NH3+])C[C@@H]1CSc2nccc(=O)n21 ZINC000083592756 176760928 /nfs/dbraw/zinc/76/09/28/176760928.db2.gz DYKXZENEISQNOU-NKWVEPMBSA-N 1 0 211.290 0.627 10 0 BCAERO C[C@@H](O)C1CCN(C(=O)[C@H](C)[C@H](C)[NH3+])CC1 ZINC000235480697 176763139 /nfs/dbraw/zinc/76/31/39/176763139.db2.gz JTUWWBBHERYOTC-KXUCPTDWSA-N 1 0 228.336 0.589 10 0 BCAERO C[C@H]([NH3+])[C@H](C)C(=O)N1CCOC[C@@H]1C ZINC000228596513 176768315 /nfs/dbraw/zinc/76/83/15/176768315.db2.gz MLMBXAMQHLRBBE-CIUDSAMLSA-N 1 0 200.282 0.217 10 0 BCAERO C[C@H](NC(=O)CCC[NH3+])[C@H]1CCCO1 ZINC000035734978 176790480 /nfs/dbraw/zinc/79/04/80/176790480.db2.gz AORALWPGACOBKX-DTWKUNHWSA-N 1 0 200.282 0.409 10 0 BCAERO C[C@H](NC(=O)CN(C)C1C[NH2+]C1)c1ccccc1 ZINC000090290509 176792645 /nfs/dbraw/zinc/79/26/45/176792645.db2.gz YYIBSOJJJIYTFY-NSHDSACASA-N 1 0 247.342 0.767 10 0 BCAERO C[C@H](NC(=O)C[C@@H]1CCCC[NH2+]1)C(=O)N(C)C ZINC000042573620 176794026 /nfs/dbraw/zinc/79/40/26/176794026.db2.gz OPGXGPBHPYTTJY-UWVGGRQHSA-N 1 0 241.335 0.112 10 0 BCAERO C[C@H](NC(=O)[C@@H]1CC[NH2+]C1)[C@@H]1CCCO1 ZINC000062112849 176809267 /nfs/dbraw/zinc/80/92/67/176809267.db2.gz ZQYSGDDMOQARKB-AEJSXWLSSA-N 1 0 212.293 0.280 10 0 BCAERO C[C@H]([NH2+]C[C@@H]1CCCOC1)C(=O)NC1CC1 ZINC000038045808 176859953 /nfs/dbraw/zinc/85/99/53/176859953.db2.gz UEGZXUXPDUIJQQ-UWVGGRQHSA-N 1 0 226.320 0.670 10 0 BCAERO C[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1C)C(=O)NC(N)=O ZINC000042862110 176860153 /nfs/dbraw/zinc/86/01/53/176860153.db2.gz RDKNYLGUXZSJGH-GUBZILKMSA-N 1 0 241.335 0.986 10 0 BCAERO C[C@H](NC[C@@H]1CCC[NH2+]1)c1cnccn1 ZINC000095068364 176860448 /nfs/dbraw/zinc/86/04/48/176860448.db2.gz VNZSPMXIUYMDKI-UWVGGRQHSA-N 1 0 206.293 0.879 10 0 BCAERO C[C@H](NC[C@@H]1CC[NH2+]C1)c1cnccn1 ZINC000095068392 176861765 /nfs/dbraw/zinc/86/17/65/176861765.db2.gz MVYNNZSHJREIMY-VHSXEESVSA-N 1 0 206.293 0.737 10 0 BCAERO C[C@H]([NH2+]C[C@H]1CCCCO1)C(=O)N(C)C ZINC000042319998 176867884 /nfs/dbraw/zinc/86/78/84/176867884.db2.gz QBOHDCBYPBJGHZ-VHSXEESVSA-N 1 0 214.309 0.622 10 0 BCAERO C[C@H](O)C1CCN(C(=O)[C@]2(C)CC[NH2+]C2)CC1 ZINC000226332530 176947678 /nfs/dbraw/zinc/94/76/78/176947678.db2.gz YFEGULJMBVLCLM-GXFFZTMASA-N 1 0 240.347 0.605 10 0 BCAERO C[C@H](O)CN(C)C(=O)CC1CC[NH2+]CC1 ZINC000051838614 176967782 /nfs/dbraw/zinc/96/77/82/176967782.db2.gz OOLQSTPBVOWABN-VIFPVBQESA-N 1 0 214.309 0.215 10 0 BCAERO C[C@H](OC1CCC([NH3+])CC1)C(=O)N(C)C ZINC000055142834 177020306 /nfs/dbraw/zinc/02/03/06/177020306.db2.gz KUJVWFGFISAEDT-IDKOKCKLSA-N 1 0 214.309 0.750 10 0 BCAERO C[C@H](OC1CC[NH2+]CC1)C(=O)NC1CC1 ZINC000037390566 177020145 /nfs/dbraw/zinc/02/01/45/177020145.db2.gz OMUVQVCFMAZOBQ-QMMMGPOBSA-N 1 0 212.293 0.422 10 0 BCAERO C[C@H](OC(C)(C)C)C(=O)N1CC[NH2+]CC1 ZINC000020516116 177020540 /nfs/dbraw/zinc/02/05/40/177020540.db2.gz AWNSFPUENBNMKM-VIFPVBQESA-N 1 0 214.309 0.622 10 0 BCAERO C[C@H](O[C@@H]1CCC[NH2+]C1)C(=O)N1CCCC1 ZINC000020422810 177021784 /nfs/dbraw/zinc/02/17/84/177021784.db2.gz KVTJZARWEFINSA-WDEREUQCSA-N 1 0 226.320 0.766 10 0 BCAERO C[C@H](OC[C@H]1CC[NH2+]C1)C(=O)N(C)C ZINC000051888142 177021805 /nfs/dbraw/zinc/02/18/05/177021805.db2.gz MEOZCGQSUIZDEQ-IUCAKERBSA-N 1 0 200.282 0.089 10 0 BCAERO C[C@H](Oc1cc2c(cc1C[NH3+])OCO2)C(N)=O ZINC000042873876 177022254 /nfs/dbraw/zinc/02/22/54/177022254.db2.gz PPYDSDDHEZWMIE-LURJTMIESA-N 1 0 238.243 0.127 10 0 BCAERO C[C@H]([C@@H]1CCC[NH2+]C1)N1C(=O)C=CC1=O ZINC000050164381 177030624 /nfs/dbraw/zinc/03/06/24/177030624.db2.gz KVPYAGRFZQKCLI-RKDXNWHRSA-N 1 0 208.261 0.300 10 0 BCAERO C[C@H](c1cccc(N)c1)[N@H+](C)CC(N)=O ZINC000040908149 177036177 /nfs/dbraw/zinc/03/61/77/177036177.db2.gz QHLFAAOYJYLDKP-MRVPVSSYSA-N 1 0 207.277 0.747 10 0 BCAERO C[C@H](c1ccccn1)N1CC[C@@H]([NH3+])C1=O ZINC000049648738 177043924 /nfs/dbraw/zinc/04/39/24/177043924.db2.gz XBZUIJUXLDZDNT-RKDXNWHRSA-N 1 0 205.261 0.702 10 0 BCAERO C[C@H](c1cccnc1)N1C[C@H]([NH3+])CC1=O ZINC000035692794 177046180 /nfs/dbraw/zinc/04/61/80/177046180.db2.gz UENUMTPMIWCVIR-PSASIEDQSA-N 1 0 205.261 0.702 10 0 BCAERO C[C@H](c1ccsc1)n1nnnc1C[NH3+] ZINC000061367340 177051782 /nfs/dbraw/zinc/05/17/82/177051782.db2.gz MWPWVNCJEMNBJP-ZCFIWIBFSA-N 1 0 209.278 0.803 10 0 BCAERO C[C@H]1CC(=O)N(c2ccccc2OCC[NH3+])C1=O ZINC000103102758 177062193 /nfs/dbraw/zinc/06/21/93/177062193.db2.gz KUTCUSHIRWDHLO-VIFPVBQESA-N 1 0 248.282 0.924 10 0 BCAERO C[C@@H]1CC([NH2+]CC(=O)N(C)C)C[C@H](C)O1 ZINC000096033749 177065548 /nfs/dbraw/zinc/06/55/48/177065548.db2.gz BNIKGKYJRIIGJX-ULKQDVFKSA-N 1 0 214.309 0.620 10 0 BCAERO C[C@H]1CC([NH2+]CC(=O)N(C)C)C[C@H](C)O1 ZINC000096033750 177065668 /nfs/dbraw/zinc/06/56/68/177065668.db2.gz BNIKGKYJRIIGJX-IUCAKERBSA-N 1 0 214.309 0.620 10 0 BCAERO C[C@H]1CCCC[N@@H+]1CC(=O)N1CC[NH2+]CC1 ZINC000019439750 177074039 /nfs/dbraw/zinc/07/40/39/177074039.db2.gz PSXYNVCKFPEBGA-NSHDSACASA-N 1 0 225.336 0.293 10 0 BCAERO C[C@H]1CCCC[N@@H+]1CCCNCC(N)=O ZINC000020047806 177075361 /nfs/dbraw/zinc/07/53/61/177075361.db2.gz UESQRIXKSNNLMX-JTQLQIEISA-N 1 0 213.325 0.326 10 0 BCAERO C[C@H]1CCCC[C@@H]1CNC(=O)[C@@H]1C[NH2+]CCN1 ZINC000062813289 177080039 /nfs/dbraw/zinc/08/00/39/177080039.db2.gz MTVMYTXYTSJJPH-TUAOUCFPSA-N 1 0 239.363 0.490 10 0 BCAERO C[C@H]1CCCN(C(=O)N2CC[NH2+]CC2)C1 ZINC000021954231 177092580 /nfs/dbraw/zinc/09/25/80/177092580.db2.gz YMCLALHKXQPEGJ-JTQLQIEISA-N 1 0 211.309 0.744 10 0 BCAERO C[C@H]1CCCN(C(=O)[C@@H]2CCCO2)[C@H]1C[NH3+] ZINC000069726127 177093389 /nfs/dbraw/zinc/09/33/89/177093389.db2.gz CCIDDXTXGNEVIN-DCAQKATOSA-N 1 0 226.320 0.751 10 0 BCAERO C[C@H]1CCCN1C1(C[NH3+])CCS(=O)(=O)CC1 ZINC000042332381 177109298 /nfs/dbraw/zinc/10/92/98/177109298.db2.gz OHHWVPJBQVCLSB-JTQLQIEISA-N 1 0 246.376 0.377 10 0 BCAERO C[C@H]1CCC[NH2+][C@@H]1C(=O)N1CCC[C@@H]1CO ZINC000051793317 177112837 /nfs/dbraw/zinc/11/28/37/177112837.db2.gz WNNOMGPXPCGYRV-AXFHLTTASA-N 1 0 226.320 0.358 10 0 BCAERO C[C@H]1CCC[NH2+][C@@H]1C(=O)N1CCCOCC1 ZINC000061933217 177112934 /nfs/dbraw/zinc/11/29/34/177112934.db2.gz AHINUWNJMXTIKG-QWRGUYRKSA-N 1 0 226.320 0.623 10 0 BCAERO C[C@H]1CCC[C@@H](C(=O)NC2CCOCC2)[NH2+]1 ZINC000036319903 177113896 /nfs/dbraw/zinc/11/38/96/177113896.db2.gz HBRFVKWXORFWEC-ONGXEEELSA-N 1 0 226.320 0.812 10 0 BCAERO C[C@H]1CCC[C@@H](N(C)S(=O)(=O)CC[NH3+])C1 ZINC000042494535 177121245 /nfs/dbraw/zinc/12/12/45/177121245.db2.gz WRKYJVZFWLRIPZ-VHSXEESVSA-N 1 0 234.365 0.785 10 0 BCAERO C[C@H]1CCC[C@@H]([NH3+])[C@@H]1C(=O)N1CCC[C@@H]1CO ZINC000055139919 177121616 /nfs/dbraw/zinc/12/16/16/177121616.db2.gz UILLSGIKKQIWAX-IRCOFANPSA-N 1 0 240.347 0.733 10 0 BCAERO C[C@H]1CCC[C@@](CO)([NH2+]CC(=O)N(C)C)C1 ZINC000053126915 177127283 /nfs/dbraw/zinc/12/72/83/177127283.db2.gz GAIYOKMUFWSWOT-CMPLNLGQSA-N 1 0 228.336 0.605 10 0 BCAERO C[C@H]1CCC[C@@](C[NH3+])(N(C)S(C)(=O)=O)C1 ZINC000050092846 177127353 /nfs/dbraw/zinc/12/73/53/177127353.db2.gz NXOZYXGUTYUMNG-VHSXEESVSA-N 1 0 234.365 0.785 10 0 BCAERO C[C@H]1CCC[C@H](C(=O)N2CCCOCC2)[NH2+]1 ZINC000061933203 177129377 /nfs/dbraw/zinc/12/93/77/177129377.db2.gz YHBMGMDOZPPEOF-WDEREUQCSA-N 1 0 226.320 0.766 10 0 BCAERO C[C@H]1CCC[C@H](C)C1[NH2+]C(CO)CO ZINC000083691473 177129509 /nfs/dbraw/zinc/12/95/09/177129509.db2.gz DJSQLDOMGUXGOC-IUCAKERBSA-N 1 0 201.310 0.754 10 0 BCAERO C[C@H]1CCC[C@H]([NH3+])[C@@H]1C(=O)NC[C@@H]1CCOC1 ZINC000061148907 177134975 /nfs/dbraw/zinc/13/49/75/177134975.db2.gz IIEMATCFHDTKKF-FIQHERPVSA-N 1 0 240.347 0.903 10 0 BCAERO C[C@H]1CCC[C@](CO)([NH2+]Cc2cn(C)nn2)C1 ZINC000054861213 177143527 /nfs/dbraw/zinc/14/35/27/177143527.db2.gz IVRSRXVITPAZNB-JQWIXIFHSA-N 1 0 238.335 0.846 10 0 BCAERO C[C@H]1CCC[C@](CO)([NH2+]CC(=O)N(C)C)C1 ZINC000053126919 177143880 /nfs/dbraw/zinc/14/38/80/177143880.db2.gz GAIYOKMUFWSWOT-JQWIXIFHSA-N 1 0 228.336 0.605 10 0 BCAERO C[C@H]1CCN(CC(=O)NCC2CC2)[C@@H](C[NH3+])C1 ZINC000224843602 177159148 /nfs/dbraw/zinc/15/91/48/177159148.db2.gz QEYNOQDJCWKZGB-CMPLNLGQSA-N 1 0 239.363 0.572 10 0 BCAERO C[C@@H]1CCN(CCS(C)(=O)=O)CC[C@H](C)[NH2+]1 ZINC000049662694 177161002 /nfs/dbraw/zinc/16/10/02/177161002.db2.gz JBPRSHFAKYABCO-PHIMTYICSA-N 1 0 248.392 0.493 10 0 BCAERO C[C@H]1CCN(S(=O)(=O)C2CC2)[C@@H](C[NH3+])C1 ZINC000235620752 177168664 /nfs/dbraw/zinc/16/86/64/177168664.db2.gz DVOWCTCRQFWENJ-DTWKUNHWSA-N 1 0 232.349 0.538 10 0 BCAERO C[C@@H]1C[C@@H](C)CCN1S(=O)(=O)CC[NH3+] ZINC000051731971 177169153 /nfs/dbraw/zinc/16/91/53/177169153.db2.gz VXRRXBJUGQOMST-DTWKUNHWSA-N 1 0 220.338 0.395 10 0 BCAERO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1CC(C)(C)O ZINC000042438562 177197889 /nfs/dbraw/zinc/19/78/89/177197889.db2.gz NLCXZAQPBSNWIB-IUCAKERBSA-N 1 0 214.309 0.343 10 0 BCAERO C[C@H]1CC[C@@H](C(=O)N2CCN(C)CC2)C[C@@H]1[NH3+] ZINC000055122076 177181227 /nfs/dbraw/zinc/18/12/27/177181227.db2.gz QZBINSZTMQHTII-TUAOUCFPSA-N 1 0 239.363 0.524 10 0 BCAERO C[C@H]1CC[C@H](C(=O)NC[C@@H]2CCCO2)C[NH2+]1 ZINC000019503875 177197186 /nfs/dbraw/zinc/19/71/86/177197186.db2.gz OEIOPQKCFIGGRC-DCAQKATOSA-N 1 0 226.320 0.670 10 0 BCAERO C[C@H]1CC[C@H](C(=O)NCCn2ccnc2)C[NH2+]1 ZINC000042542785 177197392 /nfs/dbraw/zinc/19/73/92/177197392.db2.gz FHAHTUMKKAOWNJ-QWRGUYRKSA-N 1 0 236.319 0.387 10 0 BCAERO C[C@H]1CN(C(=O)C(F)(F)C(F)F)C[C@@H]1[NH3+] ZINC000235607316 177211689 /nfs/dbraw/zinc/21/16/89/177211689.db2.gz VLBAVZWFODNPRM-WHFBIAKZSA-N 1 0 228.189 0.692 10 0 BCAERO C[C@H]1CN(C(=O)C2(C[NH3+])CCC2)CCO1 ZINC000087670372 177212503 /nfs/dbraw/zinc/21/25/03/177212503.db2.gz HIYAFXPRAQSQCN-VIFPVBQESA-N 1 0 212.293 0.363 10 0 BCAERO C[C@H]1CN(C(=O)CC2CC[NH2+]CC2)CCN1C ZINC000111237448 177215010 /nfs/dbraw/zinc/21/50/10/177215010.db2.gz YLSNMPNZQCGKJG-NSHDSACASA-N 1 0 239.363 0.539 10 0 BCAERO C[C@H]1CN(C(=O)CCc2ccncc2)C[C@@H]1[NH3+] ZINC000235657111 177215755 /nfs/dbraw/zinc/21/57/55/177215755.db2.gz AGUYBHDTTIDQNS-JQWIXIFHSA-N 1 0 233.315 0.820 10 0 BCAERO C[C@H]1CN(C(=O)C[NH2+]C2CCCC2)CCO1 ZINC000037395562 177216835 /nfs/dbraw/zinc/21/68/35/177216835.db2.gz ZTDSDXVDZGASGP-JTQLQIEISA-N 1 0 226.320 0.766 10 0 BCAERO C[C@H]1CN(C(=O)COc2ccccc2)C[C@H]1[NH3+] ZINC000235663775 177217392 /nfs/dbraw/zinc/21/73/92/177217392.db2.gz ICMJRCMLCXYCSO-CMPLNLGQSA-N 1 0 234.299 0.871 10 0 BCAERO C[C@H]1CN(C(=O)[C@H]2CCC[NH2+]C2)CCS1 ZINC000123338905 177225103 /nfs/dbraw/zinc/22/51/03/177225103.db2.gz UOICIJVLUKHSCX-UWVGGRQHSA-N 1 0 228.361 0.950 10 0 BCAERO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)c1c[nH]cn1 ZINC000084377666 177225256 /nfs/dbraw/zinc/22/52/56/177225256.db2.gz XVTLXNPPSMTSGU-JGVFFNPUSA-N 1 0 208.265 0.232 10 0 BCAERO C[C@H]1CN(C(=O)c2c[nH]cn2)[C@@H](C)C[NH2+]1 ZINC000084377667 177225625 /nfs/dbraw/zinc/22/56/25/177225625.db2.gz XVTLXNPPSMTSGU-YUMQZZPRSA-N 1 0 208.265 0.232 10 0 BCAERO C[C@H]1CN(C(=O)c2ccncc2F)C[C@@H]1[NH3+] ZINC000235672590 177229459 /nfs/dbraw/zinc/22/94/59/177229459.db2.gz VCCANGDCYRFNTF-XVKPBYJWSA-N 1 0 223.251 0.640 10 0 BCAERO C[C@H]1CN(C(=O)c2cncc(O)c2)[C@@H](C)C[NH2+]1 ZINC000086467857 177231040 /nfs/dbraw/zinc/23/10/40/177231040.db2.gz KXYDSDPRBZVURD-IUCAKERBSA-N 1 0 235.287 0.610 10 0 BCAERO C[C@@H]1CN(C(=O)c2cncc(O)c2)C[C@H](C)[NH2+]1 ZINC000070076307 177231099 /nfs/dbraw/zinc/23/10/99/177231099.db2.gz XUSJRGBITPFBCU-DTORHVGOSA-N 1 0 235.287 0.610 10 0 BCAERO C[C@H]1CN(C(=O)n2cc[n+](C)c2)CCCO1 ZINC000061920639 177233291 /nfs/dbraw/zinc/23/32/91/177233291.db2.gz XBHTXGQMIVOHCI-JTQLQIEISA-N 1 0 224.284 0.392 10 0 BCAERO C[C@H]1C[N@H+](C)[C@@H](C)C[C@@H]1NCc1nncn1C ZINC000216419936 177239154 /nfs/dbraw/zinc/23/91/54/177239154.db2.gz WDKAFJDLGVGCEK-DCAQKATOSA-N 1 0 237.351 0.633 10 0 BCAERO C[C@H]1CN(CC(=O)N2CCCCC2)C[C@@H]1[NH3+] ZINC000235643585 177244461 /nfs/dbraw/zinc/24/44/61/177244461.db2.gz XFPLVUOICZGFQW-QWRGUYRKSA-N 1 0 225.336 0.278 10 0 BCAERO C[C@@H](O)CN1CC[N@H+](CCCCCO)C[C@@H]1C ZINC000105911939 177248403 /nfs/dbraw/zinc/24/84/03/177248403.db2.gz QSQWGNWGZLEXCV-QWHCGFSZSA-N 1 0 244.379 0.536 10 0 BCAERO C[C@@H]1CN(CCOC2CC[NH2+]CC2)C[C@H](C)O1 ZINC000090225732 177253205 /nfs/dbraw/zinc/25/32/05/177253205.db2.gz OEJUTPHECMERII-TXEJJXNPSA-N 1 0 242.363 0.864 10 0 BCAERO C[C@@H]1CN(C[C@]2(C[NH3+])CCCOC2)C[C@H](C)O1 ZINC000104321301 177259092 /nfs/dbraw/zinc/25/90/92/177259092.db2.gz DMZBRXGGVKEPRS-FRRDWIJNSA-N 1 0 242.363 0.851 10 0 BCAERO C[C@H]1C[N@H+](C[C@H](O)Cn2cccn2)CCS1 ZINC000170901354 177259546 /nfs/dbraw/zinc/25/95/46/177259546.db2.gz YFMKJSJMSMUJKP-QWRGUYRKSA-N 1 0 241.360 0.681 10 0 BCAERO C[C@H]1CN(Cc2c[nH]cn2)C[C@@H]1[NH+](C)C ZINC000280131440 177261342 /nfs/dbraw/zinc/26/13/42/177261342.db2.gz AXPWFNYAAKUGDP-ONGXEEELSA-N 1 0 208.309 0.792 10 0 BCAERO C[C@H]1CN([C@@H](C[NH3+])[C@@H]2CCOC2)CCO1 ZINC000022174376 177273734 /nfs/dbraw/zinc/27/37/34/177273734.db2.gz ODQGFLOMEZJDSI-AXFHLTTASA-N 1 0 214.309 0.071 10 0 BCAERO C[C@H]1CN([C@@H](C[NH3+])[C@@H]2CCCOC2)CCCO1 ZINC000104314371 177274279 /nfs/dbraw/zinc/27/42/79/177274279.db2.gz ZEWDYOOIDCJCOL-XQQFMLRXSA-N 1 0 242.363 0.851 10 0 BCAERO C[C@H]1CN([C@@H](C[NH3+])c2ccccn2)CCO1 ZINC000019268457 177274654 /nfs/dbraw/zinc/27/46/54/177274654.db2.gz LBTLNRBOAYZFRJ-JQWIXIFHSA-N 1 0 221.304 0.802 10 0 BCAERO C[C@H]1C[N@@H+]([C@@H]2CCN(C)C2=O)CCS1 ZINC000116277418 177274892 /nfs/dbraw/zinc/27/48/92/177274892.db2.gz VOIPMQYCJCCGFT-DTWKUNHWSA-N 1 0 214.334 0.654 10 0 BCAERO C[C@H]1C[NH2+]C(C)(C)CN1S(C)(=O)=O ZINC000062569627 177281184 /nfs/dbraw/zinc/28/11/84/177281184.db2.gz XQRXFSQNPCZEIG-ZETCQYMHSA-N 1 0 206.311 0.018 10 0 BCAERO C[C@H]1C[NH2+]CCN1CCCn1ccnc1 ZINC000054374721 177283940 /nfs/dbraw/zinc/28/39/40/177283940.db2.gz DPZJUSCQTKTSPQ-NSHDSACASA-N 1 0 208.309 0.567 10 0 BCAERO C[C@H]1C[NH2+]C[C@H](C)CN(CCS(C)(=O)=O)C1 ZINC000049662708 177285283 /nfs/dbraw/zinc/28/52/83/177285283.db2.gz SHEDWUOXJUZJPQ-QWRGUYRKSA-N 1 0 248.392 0.208 10 0 BCAERO C[C@H]1C[NH2+]C[C@@H]1C(=O)Nc1cccnc1N(C)C ZINC000104225568 177286098 /nfs/dbraw/zinc/28/60/98/177286098.db2.gz ZDPMHXPTKVQWKM-UWVGGRQHSA-N 1 0 248.330 0.942 10 0 BCAERO C[C@H]1COCCN1C(=O)C[C@H]1CCC[NH2+]C1 ZINC000054290835 177289280 /nfs/dbraw/zinc/28/92/80/177289280.db2.gz MWUFISZYDURCEO-WDEREUQCSA-N 1 0 226.320 0.623 10 0 BCAERO C[C@@H]1COC[C@H](C)N1C(=O)C1CC[NH2+]CC1 ZINC000237634547 177298191 /nfs/dbraw/zinc/29/81/91/177298191.db2.gz PFBUHBRMZBCZJG-AOOOYVTPSA-N 1 0 226.320 0.622 10 0 BCAERO C[C@H]1COC[C@H](C)N1C(=O)c1coc(C[NH3+])c1 ZINC000187863489 177299602 /nfs/dbraw/zinc/29/96/02/177299602.db2.gz ZCAXRBZZDYPAOI-IUCAKERBSA-N 1 0 238.287 0.988 10 0 BCAERO C[C@H]1C[C@@H](C(=O)N2CC(F)C2)CC[N@@H+]1C ZINC000335185633 177307478 /nfs/dbraw/zinc/30/74/78/177307478.db2.gz KIPIIWAAPVFYIK-IUCAKERBSA-N 1 0 214.284 0.897 10 0 BCAERO C[C@H]1C[C@@H](C(=O)N[C@@H]2CCCC[C@@H]2O)CC[NH2+]1 ZINC000235697120 177308869 /nfs/dbraw/zinc/30/88/69/177308869.db2.gz ULHIYXXNEGOGLJ-YFKTTZPYSA-N 1 0 240.347 0.794 10 0 BCAERO C[C@@H]1C[C@H](C)CN([C@@H]2CS(=O)(=O)C[C@@H]2[NH3+])C1 ZINC000031990108 177314532 /nfs/dbraw/zinc/31/45/32/177314532.db2.gz ZVCHJKZJVPRDEI-ZRUFSTJUSA-N 1 0 246.376 0.089 10 0 BCAERO C[C@H]1C[C@@H]1[NH2+]CC(=O)NC1CCOCC1 ZINC000062768857 177349813 /nfs/dbraw/zinc/34/98/13/177349813.db2.gz MYRJKXVBSAMOIK-WPRPVWTQSA-N 1 0 212.293 0.280 10 0 BCAERO C[C@H]1C[C@H](C)CN(C(=O)C2([NH3+])CCOCC2)C1 ZINC000127718763 177356640 /nfs/dbraw/zinc/35/66/40/177356640.db2.gz VHQIIOPFAVTJET-QWRGUYRKSA-N 1 0 240.347 0.999 10 0 BCAERO C[C@H]1C[C@H]1NS(=O)(=O)CC1CC[NH2+]CC1 ZINC000052295911 177386315 /nfs/dbraw/zinc/38/63/15/177386315.db2.gz JZRHCECJPZNOPI-WCBMZHEXSA-N 1 0 232.349 0.314 10 0 BCAERO C[C@H]1NC(=O)CC[C@@H]1[NH2+]CCn1cccn1 ZINC000282401789 177392956 /nfs/dbraw/zinc/39/29/56/177392956.db2.gz PRZXISGZPONYTF-ZJUUUORDSA-N 1 0 222.292 0.140 10 0 BCAERO C[C@H]1NC(=O)CC[C@@H]1[NH2+]CCOCC(F)F ZINC000309829428 177393171 /nfs/dbraw/zinc/39/31/71/177393171.db2.gz YDIRTHANHSGLIQ-SFYZADRCSA-N 1 0 236.262 0.525 10 0 BCAERO C[C@H]1NC(=O)CC[C@@H]1[NH2+]C1CCN(C)CC1 ZINC000336776656 177393175 /nfs/dbraw/zinc/39/31/75/177393175.db2.gz GGADCLPXMYEGNS-KOLCDFICSA-N 1 0 225.336 0.337 10 0 BCAERO C[C@H]1NC(=O)CC[C@@H]1[NH2+]Cc1cncc(F)c1 ZINC000336370608 177393342 /nfs/dbraw/zinc/39/33/42/177393342.db2.gz VCKGZLBKMDIXGV-KCJUWKMLSA-N 1 0 237.278 0.977 10 0 BCAERO C[C@H]1NC(=O)CC[C@@H]1[NH2+]CC1CCOCC1 ZINC000309380076 177393733 /nfs/dbraw/zinc/39/37/33/177393733.db2.gz DDVSOSOBQGRNOJ-KOLCDFICSA-N 1 0 226.320 0.670 10 0 BCAERO C[C@H]1NC(=O)CC[C@H]1[NH2+]CCCCCO ZINC000309119896 177394106 /nfs/dbraw/zinc/39/41/06/177394106.db2.gz NDUPJFHQJWRAOZ-NXEZZACHSA-N 1 0 214.309 0.406 10 0 BCAERO C[C@H]1[NH2+]CCC[C@@H]1Nc1nccn2cnnc12 ZINC000229607657 177395241 /nfs/dbraw/zinc/39/52/41/177395241.db2.gz DJJKKGMAQVIIIR-BDAKNGLRSA-N 1 0 232.291 0.677 10 0 BCAERO C[C@H]1[NH2+]CCC[C@@H]1C(=O)NCc1ccno1 ZINC000335593319 177395475 /nfs/dbraw/zinc/39/54/75/177395475.db2.gz BSUNMWYGSLNEBT-SCZZXKLOSA-N 1 0 223.276 0.679 10 0 BCAERO C[C@](C[NH3+])(C1CC1)N1C(=O)CCCC1=O ZINC000082641360 177441939 /nfs/dbraw/zinc/44/19/39/177441939.db2.gz KCCUIYINWALGQO-NSHDSACASA-N 1 0 210.277 0.653 10 0 BCAERO C[C@]1(NC(=O)[C@H]2CCC[C@H]([NH3+])C2)CCOC1 ZINC000122601212 177468811 /nfs/dbraw/zinc/46/88/11/177468811.db2.gz XZBJLGIBISHMGG-NHCYSSNCSA-N 1 0 226.320 0.799 10 0 BCAERO C[C@]1([NH2+]C[C@@H]2CCOC2)CCS(=O)(=O)C1 ZINC000036945175 177469907 /nfs/dbraw/zinc/46/99/07/177469907.db2.gz MCPGTUOKIHIOGR-UWVGGRQHSA-N 1 0 233.333 0.190 10 0 BCAERO Cc1nc[nH]c1C[NH2+]C[C@H]1COCCO1 ZINC000054796940 177531782 /nfs/dbraw/zinc/53/17/82/177531782.db2.gz LQVNTFBBTLWXOI-VIFPVBQESA-N 1 0 211.265 0.223 10 0 BCAERO Cc1c(C(=O)N(CC[NH3+])C(C)C)cnn1C ZINC000041056117 177561658 /nfs/dbraw/zinc/56/16/58/177561658.db2.gz MUTSJZNRZQLFHZ-UHFFFAOYSA-N 1 0 224.308 0.538 10 0 BCAERO Cc1c(Cl)n(C)nc1C(=O)N1CC[NH2+]CC1 ZINC000045930151 177563297 /nfs/dbraw/zinc/56/32/97/177563297.db2.gz YVTRQPPUXQIIPN-UHFFFAOYSA-N 1 0 242.710 0.427 10 0 BCAERO Cc1c(C[NH2+]C[C@H]2CC[C@H](O)C2)cnn1C ZINC000235816181 177590526 /nfs/dbraw/zinc/59/05/26/177590526.db2.gz CLLBSQUXCTXRSP-JQWIXIFHSA-N 1 0 223.320 0.979 10 0 BCAERO CN1CCO[C@H](C[N@H+](C)CC2(O)CCC2)C1 ZINC000675069215 487666789 /nfs/dbraw/zinc/66/67/89/487666789.db2.gz RDZCFVDHRLFBNG-NSHDSACASA-N 1 0 228.336 0.164 10 0 BCAERO Cc1noc2ncnc(N(C)[C@@H]3CC[NH2+]C3)c12 ZINC000071311589 487671480 /nfs/dbraw/zinc/67/14/80/487671480.db2.gz ZKRSEFCGXYIQAS-MRVPVSSYSA-N 1 0 233.275 0.724 10 0 BCAERO CC(C)CNC(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000087638894 487672386 /nfs/dbraw/zinc/67/23/86/487672386.db2.gz PYAKCSHGPWEPRI-UHFFFAOYSA-N 1 0 227.352 0.442 10 0 BCAERO COC[C@@H]([NH2+]C[C@@H]1CNC(=O)O1)C1CC1 ZINC000308917745 229258434 /nfs/dbraw/zinc/25/84/34/229258434.db2.gz GJGSKEOCKQCBRU-RKDXNWHRSA-N 1 0 214.265 0.109 10 0 BCAERO O=C1NC[C@H](C[NH+]2CCC(CCO)CC2)O1 ZINC000309058514 229315177 /nfs/dbraw/zinc/31/51/77/229315177.db2.gz CYVZUUNUJDSHHQ-SNVBAGLBSA-N 1 0 228.292 0.189 10 0 BCAERO C[C@@H]1CN(c2cnccn2)C[C@@]1(C)C[NH3+] ZINC000309061426 229316769 /nfs/dbraw/zinc/31/67/69/229316769.db2.gz WFQXTZNRDFDYTB-MWLCHTKSSA-N 1 0 206.293 0.898 10 0 BCAERO O=C(CCc1ccco1)NC[C@H]1CC[NH2+]C1 ZINC000087654804 487675289 /nfs/dbraw/zinc/67/52/89/487675289.db2.gz QFDFWJSPHAHXFP-JTQLQIEISA-N 1 0 222.288 0.938 10 0 BCAERO O=C(C[C@H]1CCCO1)NC[C@H]1CC[NH2+]C1 ZINC000087654785 487675361 /nfs/dbraw/zinc/67/53/61/487675361.db2.gz JJOALSAHIMRAFD-VHSXEESVSA-N 1 0 212.293 0.281 10 0 BCAERO C[NH2+][C@H](C)C(=O)N[C@H](C)[C@@H]1CCCO1 ZINC000054072230 487680907 /nfs/dbraw/zinc/68/09/07/487680907.db2.gz FLQWRWZVZYUIIN-HLTSFMKQSA-N 1 0 200.282 0.278 10 0 BCAERO C[NH2+][C@H](C)C(=O)N[C@H](C)[C@H]1CCCO1 ZINC000054072234 487681160 /nfs/dbraw/zinc/68/11/60/487681160.db2.gz FLQWRWZVZYUIIN-IWSPIJDZSA-N 1 0 200.282 0.278 10 0 BCAERO C[NH2+][C@@H](C)C(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000054075245 487681792 /nfs/dbraw/zinc/68/17/92/487681792.db2.gz HDRZOBKVBSRWOT-GARJFASQSA-N 1 0 226.320 0.764 10 0 BCAERO NC(=O)C1CC[NH+](C[C@@H]2CCC[C@H](O)C2)CC1 ZINC000383937943 487681959 /nfs/dbraw/zinc/68/19/59/487681959.db2.gz UNZXAGILTHYYGZ-PWSUYJOCSA-N 1 0 240.347 0.735 10 0 BCAERO C[NH2+][C@H](C)C(=O)N1CCC[C@@H](c2cc[nH]n2)C1 ZINC000054075390 487682144 /nfs/dbraw/zinc/68/21/44/487682144.db2.gz XIWHNEYMKZQNEX-NXEZZACHSA-N 1 0 236.319 0.724 10 0 BCAERO CNC(=O)Cc1ccc(NC(=O)[C@@H](C)[NH2+]C)cc1 ZINC000054073791 487682514 /nfs/dbraw/zinc/68/25/14/487682514.db2.gz YHFQLSYKBJCEGO-SECBINFHSA-N 1 0 249.314 0.522 10 0 BCAERO [NH3+]C1CCC(C(=O)N[C@H]2CCOC2)CC1 ZINC000087785295 487685625 /nfs/dbraw/zinc/68/56/25/487685625.db2.gz XZSGUVNIUGEFNB-RTBKNWGFSA-N 1 0 212.293 0.409 10 0 BCAERO O=C(C[C@@H]1CCC[NH2+]C1)N[C@H]1CCOC1 ZINC000087785001 487685661 /nfs/dbraw/zinc/68/56/61/487685661.db2.gz IMNJSBIITJTYHC-UWVGGRQHSA-N 1 0 212.293 0.281 10 0 BCAERO O=C(C[C@H]1CCC[NH2+]C1)N[C@@H]1CCOC1 ZINC000087784995 487685671 /nfs/dbraw/zinc/68/56/71/487685671.db2.gz IMNJSBIITJTYHC-NXEZZACHSA-N 1 0 212.293 0.281 10 0 BCAERO C[C@@H](NC(=O)[C@H]1C[NH2+]CCOC1)C1CC1 ZINC000643622030 487685726 /nfs/dbraw/zinc/68/57/26/487685726.db2.gz SKEVFUKMRSLVKM-SCZZXKLOSA-N 1 0 212.293 0.137 10 0 BCAERO CCC[C@@H]([NH3+])C(=O)N(C)CC1=CCCOC1 ZINC000662662320 487687625 /nfs/dbraw/zinc/68/76/25/487687625.db2.gz PYLSWIUYPFFXCO-LLVKDONJSA-N 1 0 226.320 0.919 10 0 BCAERO CN(CC1=CCCOC1)C(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000662662266 487687556 /nfs/dbraw/zinc/68/75/56/487687556.db2.gz OTKANKVURDHRIO-RYUDHWBXSA-N 1 0 238.331 0.919 10 0 BCAERO CCN1CCO[C@@H](C[NH2+][C@@H]2CCCC[C@H]2O)C1 ZINC000226238621 487690309 /nfs/dbraw/zinc/69/03/09/487690309.db2.gz WEVYMMMMFLSGGI-YNEHKIRRSA-N 1 0 242.363 0.600 10 0 BCAERO CCOC[C@@H]1C[N@H+](C[C@@](C)(O)CC)CCO1 ZINC000528725635 262774498 /nfs/dbraw/zinc/77/44/98/262774498.db2.gz RSUMOOPOBWKREW-RYUDHWBXSA-N 1 0 231.336 0.885 10 0 BCAERO O=C(N[C@@H]1CCC[C@@H](O)C1)[C@H]1CCC[NH2+]C1 ZINC000088032222 487699097 /nfs/dbraw/zinc/69/90/97/487699097.db2.gz CUBSTJGNHJTPLL-HBNTYKKESA-N 1 0 226.320 0.406 10 0 BCAERO O[C@H]1CCCC[C@@H]1[NH2+]CC1(O)CCOCC1 ZINC000088034309 487699293 /nfs/dbraw/zinc/69/92/93/487699293.db2.gz SLTSFRODHPMWRB-QWRGUYRKSA-N 1 0 229.320 0.421 10 0 BCAERO CCCCOCC[NH2+]CC1(O)CCOCC1 ZINC000088034209 487699696 /nfs/dbraw/zinc/69/96/96/487699696.db2.gz ZTXOVKJFLXZNID-UHFFFAOYSA-N 1 0 231.336 0.934 10 0 BCAERO O[C@@H]1CCCC[C@@H]1[NH2+]CC1(O)CCOCC1 ZINC000088034311 487699560 /nfs/dbraw/zinc/69/95/60/487699560.db2.gz SLTSFRODHPMWRB-WDEREUQCSA-N 1 0 229.320 0.421 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)N(C)CCC[NH3+])O1 ZINC000088140204 487705623 /nfs/dbraw/zinc/70/56/23/487705623.db2.gz ZEUZMDBKWJJFQF-RKDXNWHRSA-N 1 0 200.282 0.361 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)NC2CCC([NH3+])CC2)O1 ZINC000088140566 487705650 /nfs/dbraw/zinc/70/56/50/487705650.db2.gz MJZSXXOVKIVGAD-AGVGLQIMSA-N 1 0 226.320 0.940 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)N[C@@H]2CCC[C@@H]2C[NH3+])O1 ZINC000088140280 487705748 /nfs/dbraw/zinc/70/57/48/487705748.db2.gz UTJKWXOWJOIYSE-GWOFURMSSA-N 1 0 226.320 0.798 10 0 BCAERO C[C@]1(NC(=O)[C@H]2CCC[C@@H]2C[NH3+])CCOC1 ZINC000163295246 487707764 /nfs/dbraw/zinc/70/77/64/487707764.db2.gz OKUAJEUDRCGIME-SCVCMEIPSA-N 1 0 226.320 0.657 10 0 BCAERO CC[N@H+](CC(C)(C)O)[C@@H]1CCC[C@H]1O ZINC000226288709 487708805 /nfs/dbraw/zinc/70/88/05/487708805.db2.gz KCFXLGJZSQLNER-NXEZZACHSA-N 1 0 201.310 0.993 10 0 BCAERO CN1CCC[C@H]1C[N@H+](C)[C@@H]1CCC[C@H]1O ZINC000226288620 487709097 /nfs/dbraw/zinc/70/90/97/487709097.db2.gz IUKXGVRSPINTBB-QJPTWQEYSA-N 1 0 212.337 0.926 10 0 BCAERO C[C@@H](O)C1CCN(C(=O)C[C@H](C)[NH3+])CC1 ZINC000226333029 487713083 /nfs/dbraw/zinc/71/30/83/487713083.db2.gz PDNKZRAUNZDDBT-DTWKUNHWSA-N 1 0 214.309 0.343 10 0 BCAERO CC(C)[C@@H](NC(=O)CCC(C)(C)[NH3+])C(N)=O ZINC000226337270 487713719 /nfs/dbraw/zinc/71/37/19/487713719.db2.gz PRMPPQXLACNYGR-SECBINFHSA-N 1 0 229.324 0.130 10 0 BCAERO CCCc1nsc(NC[C@H]2COCC[NH2+]2)n1 ZINC000233412047 487714099 /nfs/dbraw/zinc/71/40/99/487714099.db2.gz VNHYMZDBZSYJRN-QMMMGPOBSA-N 1 0 242.348 0.891 10 0 BCAERO O=C1C[C@@H]([NH2+]CC[C@@H]2CCCO2)CCCN1 ZINC000082667424 487713917 /nfs/dbraw/zinc/71/39/17/487713917.db2.gz MXINTVGAHRGRFV-QWRGUYRKSA-N 1 0 226.320 0.814 10 0 BCAERO [NH3+][C@@H]1CC[C@H](C(=O)N[C@@H]2CCSC2)C1 ZINC000226357341 487716043 /nfs/dbraw/zinc/71/60/43/487716043.db2.gz ZUUPMJKYYNNRSL-DJLDLDEBSA-N 1 0 214.334 0.736 10 0 BCAERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)NCCCCO ZINC000384556602 487726137 /nfs/dbraw/zinc/72/61/37/487726137.db2.gz OIBOVZRRSHVLCA-VHSXEESVSA-N 1 0 214.309 0.263 10 0 BCAERO C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CN(C)CCO2)CS1 ZINC000086936397 487727299 /nfs/dbraw/zinc/72/72/99/487727299.db2.gz SJSAOLHLKJGEAP-GMTAPVOTSA-N 1 0 230.377 0.801 10 0 BCAERO CN(C(=O)[C@@H]1C[C@H]2C[C@H]2C1)[C@H]1CC[NH2+]C1 ZINC000250436687 487732068 /nfs/dbraw/zinc/73/20/68/487732068.db2.gz SEFNDXYOUQQWDQ-VLEAKVRGSA-N 1 0 208.305 0.853 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N[C@@H](CO)C1CCC1 ZINC000662849471 487736113 /nfs/dbraw/zinc/73/61/13/487736113.db2.gz MODGVPDNBVIYEQ-SRVKXCTJSA-N 1 0 240.347 0.639 10 0 BCAERO [NH3+][C@@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@H](O)C1 ZINC000250629274 487736923 /nfs/dbraw/zinc/73/69/23/487736923.db2.gz CMQWBDHFFKHEQA-XWLWVQCSSA-N 1 0 226.320 0.534 10 0 BCAERO CC(C)[C@H]([NH3+])CC(=O)N[C@H]1CCC(=O)N(C)C1 ZINC000136472617 487737169 /nfs/dbraw/zinc/73/71/69/487737169.db2.gz HYYXTHFTLFMARX-VHSXEESVSA-N 1 0 241.335 0.097 10 0 BCAERO CC(C)C[C@@H]([NH3+])C(=O)N1CCC([C@H](C)O)CC1 ZINC000155200089 487738433 /nfs/dbraw/zinc/73/84/33/487738433.db2.gz QOLFFIHYJNEVPU-CMPLNLGQSA-N 1 0 242.363 0.979 10 0 BCAERO [NH3+][C@@H]1CCC[C@@H]1C(=O)NCC[C@H]1CCCO1 ZINC000250668292 487738452 /nfs/dbraw/zinc/73/84/52/487738452.db2.gz SUAWEQQNRRRJML-OUAUKWLOSA-N 1 0 226.320 0.799 10 0 BCAERO C[C@@H]1OCC[C@@H]1[NH2+][C@@H]1CCC(=O)NC1(C)C ZINC000309815614 487739475 /nfs/dbraw/zinc/73/94/75/487739475.db2.gz VFCIVWCWVWRXAF-LPEHRKFASA-N 1 0 226.320 0.811 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)NC[C@H]1CCCOC1 ZINC000250682293 487739213 /nfs/dbraw/zinc/73/92/13/487739213.db2.gz YZSBMBSGKMEHGQ-GRYCIOLGSA-N 1 0 240.347 0.904 10 0 BCAERO [NH3+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]3C[C@H]3C2)CCO1 ZINC000250828347 487741979 /nfs/dbraw/zinc/74/19/79/487741979.db2.gz ICXQQRSSXQQOSX-LMLFDSFASA-N 1 0 224.304 0.219 10 0 BCAERO CCOc1cc(N2C[C@@H](C)[C@@H]([NH3+])C2)nc(C)n1 ZINC000233788208 487742691 /nfs/dbraw/zinc/74/26/91/487742691.db2.gz CTFVXUFLLZNABL-SCZZXKLOSA-N 1 0 236.319 0.967 10 0 BCAERO [NH3+][C@H]1CCCN(C(=O)[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000251104454 487748617 /nfs/dbraw/zinc/74/86/17/487748617.db2.gz KIZILBOPFOJNAV-VLEAKVRGSA-N 1 0 208.305 0.982 10 0 BCAERO C[C@@H](NC(=O)[C@H]1CCC[NH2+]1)[C@@H]1CCCO1 ZINC000157544588 487756904 /nfs/dbraw/zinc/75/69/04/487756904.db2.gz HSDGQMIVYIXKJI-BBBLOLIVSA-N 1 0 212.293 0.422 10 0 BCAERO CC(C)([NH3+])CCC(=O)N[C@@H]1CCCOC1 ZINC000069634285 487757232 /nfs/dbraw/zinc/75/72/32/487757232.db2.gz OKBFCFDOTVOSLM-SECBINFHSA-N 1 0 214.309 0.799 10 0 BCAERO COC[C@@H]([NH3+])C(=O)NC1(CC(C)C)CC1 ZINC000662925208 487758180 /nfs/dbraw/zinc/75/81/80/487758180.db2.gz FCLASOGNFYVDON-SECBINFHSA-N 1 0 214.309 0.655 10 0 BCAERO CCc1cc(C(=O)N2C[C@@H](C)[C@@H]([NH3+])C2)n(C)n1 ZINC000234170275 487768449 /nfs/dbraw/zinc/76/84/49/487768449.db2.gz QZEDPKZELPKYBS-SCZZXKLOSA-N 1 0 236.319 0.402 10 0 BCAERO CC(C)COC[C@@H](O)C[NH2+]CC[C@H](C)O ZINC000082995609 487769280 /nfs/dbraw/zinc/76/92/80/487769280.db2.gz HPVZKQBZHDAIGV-QWRGUYRKSA-N 1 0 219.325 0.380 10 0 BCAERO [NH3+]CCCCC(=O)NC[C@@H]1CCCC[C@H]1O ZINC000082995370 487769319 /nfs/dbraw/zinc/76/93/19/487769319.db2.gz WPJQSXYYTBKXEB-WDEREUQCSA-N 1 0 228.336 0.783 10 0 BCAERO C[NH2+][C@@H](C)C(=O)NC[C@H]1CCCC[C@@H]1O ZINC000082995223 487769441 /nfs/dbraw/zinc/76/94/41/487769441.db2.gz GCLGCYPAJLZHAN-AEJSXWLSSA-N 1 0 214.309 0.262 10 0 BCAERO O=C(C[NH2+]C1CC1)NC[C@H]1CCCC[C@H]1O ZINC000082995173 487769534 /nfs/dbraw/zinc/76/95/34/487769534.db2.gz UVLMDSCMMOJSDE-MWLCHTKSSA-N 1 0 226.320 0.406 10 0 BCAERO CC(C)[C@H]([NH3+])C(=O)NC[C@H]1CCCC[C@@H]1O ZINC000082994864 487769548 /nfs/dbraw/zinc/76/95/48/487769548.db2.gz ZKNKRTSVGSPHKM-VWYCJHECSA-N 1 0 228.336 0.637 10 0 BCAERO [NH3+]CCCCC(=O)NC[C@@H]1CCCC[C@@H]1O ZINC000082995368 487769669 /nfs/dbraw/zinc/76/96/69/487769669.db2.gz WPJQSXYYTBKXEB-QWRGUYRKSA-N 1 0 228.336 0.783 10 0 BCAERO O=C(C[NH2+]C1CC1)NC[C@@H]1CCCC[C@H]1O ZINC000082995170 487769778 /nfs/dbraw/zinc/76/97/78/487769778.db2.gz UVLMDSCMMOJSDE-GXSJLCMTSA-N 1 0 226.320 0.406 10 0 BCAERO C[C@H](O)CCNC(=O)C[C@H]1CCC[NH2+]C1 ZINC000082995864 487769016 /nfs/dbraw/zinc/76/90/16/487769016.db2.gz BDKQFHDUPWRUGI-VHSXEESVSA-N 1 0 214.309 0.263 10 0 BCAERO CC[C@@H]([NH3+])C(=O)NC[C@H]1CCCC[C@@H]1O ZINC000082995204 487769071 /nfs/dbraw/zinc/76/90/71/487769071.db2.gz RSVMWWOKRSNQSY-BBBLOLIVSA-N 1 0 214.309 0.391 10 0 BCAERO CC(C)OC[C@@H](O)C[NH2+]CC[C@@H](C)O ZINC000082997182 487770444 /nfs/dbraw/zinc/77/04/44/487770444.db2.gz UFULUKRXZVOHEH-ZJUUUORDSA-N 1 0 205.298 0.133 10 0 BCAERO CCn1nc(C)cc1C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000234201647 487770940 /nfs/dbraw/zinc/77/09/40/487770940.db2.gz MVSYVQCRJUZVEO-PSASIEDQSA-N 1 0 236.319 0.631 10 0 BCAERO [NH3+]C[C@H]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1O ZINC000227327492 487772099 /nfs/dbraw/zinc/77/20/99/487772099.db2.gz MGLPQFKYHUTRSZ-WRWGMCAJSA-N 1 0 240.347 0.781 10 0 BCAERO COCCOC[C@H](O)C[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000300258398 487773283 /nfs/dbraw/zinc/77/32/83/487773283.db2.gz HZYKCCWJAKPEJE-QJPTWQEYSA-N 1 0 247.335 0.167 10 0 BCAERO CC[C@H](C)[C@@H]([NH3+])C(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000178571025 487776070 /nfs/dbraw/zinc/77/60/70/487776070.db2.gz OVIIFSSMJVOJEF-UNQZSWDGSA-N 1 0 226.320 0.796 10 0 BCAERO CN(C(=O)Cc1cc[nH]n1)[C@@H]1CCC[NH2+]CC1 ZINC000435753672 487793563 /nfs/dbraw/zinc/79/35/63/487793563.db2.gz ATXBUPHIOWRWAC-LLVKDONJSA-N 1 0 236.319 0.553 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)N[C@H]2CCC[NH2+][C@H]2C)O1 ZINC000251772543 487796983 /nfs/dbraw/zinc/79/69/83/487796983.db2.gz KTJKIYLPTPVARG-VPOLOUISSA-N 1 0 226.320 0.811 10 0 BCAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NCCOCCF ZINC000663005836 487805330 /nfs/dbraw/zinc/80/53/30/487805330.db2.gz YFRYYMXRTMWWIS-UWVGGRQHSA-N 1 0 232.299 0.477 10 0 BCAERO CN1CCO[C@H](C[N@H+](C)C[C@H](O)C(C)(C)C)C1 ZINC000676112387 487815512 /nfs/dbraw/zinc/81/55/12/487815512.db2.gz CXQDKZPLRSJJIF-RYUDHWBXSA-N 1 0 244.379 0.656 10 0 BCAERO CN(C(=O)[C@@H]1CCC[C@H]1C[NH3+])C1CCOCC1 ZINC000089451156 487816336 /nfs/dbraw/zinc/81/63/36/487816336.db2.gz RKAPRFOCIQNOEA-CMPLNLGQSA-N 1 0 240.347 0.999 10 0 BCAERO CN(C(=O)[C@H]1CCC[C@H]1C[NH3+])C1CCOCC1 ZINC000089451158 487816355 /nfs/dbraw/zinc/81/63/55/487816355.db2.gz RKAPRFOCIQNOEA-JQWIXIFHSA-N 1 0 240.347 0.999 10 0 BCAERO CC[C@@H]1CN(C(=O)[C@H]2CCC[C@@H]2C[NH3+])CCO1 ZINC000089450801 487817741 /nfs/dbraw/zinc/81/77/41/487817741.db2.gz YEEFCKHMQYNUAM-UTUOFQBUSA-N 1 0 240.347 0.999 10 0 BCAERO CCNC(=O)[C@H](C)NC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089450905 487818274 /nfs/dbraw/zinc/81/82/74/487818274.db2.gz FSKDZUZKXQILLU-IVZWLZJFSA-N 1 0 241.335 0.002 10 0 BCAERO Cn1ncc2c1ncnc2NC[C@@H]1CCCC[NH2+]1 ZINC000044493298 487820240 /nfs/dbraw/zinc/82/02/40/487820240.db2.gz HXKHQXMKKKXZRS-VIFPVBQESA-N 1 0 246.318 0.917 10 0 BCAERO C[NH2+][C@@H](C)CNC(=O)Cc1ccccc1O ZINC000234419797 487825139 /nfs/dbraw/zinc/82/51/39/487825139.db2.gz YUTBVEUFLBQMCQ-VIFPVBQESA-N 1 0 222.288 0.659 10 0 BCAERO C[C@@H]1[NH2+]CC[C@H]1C(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000252615198 487827558 /nfs/dbraw/zinc/82/75/58/487827558.db2.gz YTWCWMRMDZJANE-CHWFTXMASA-N 1 0 226.320 0.620 10 0 BCAERO O=C(C[C@@H]1CC[NH2+]C1)NC[C@H]1CCCC[C@@H]1O ZINC000089748771 487852441 /nfs/dbraw/zinc/85/24/41/487852441.db2.gz AQPCBMHMVINJOX-TUAOUCFPSA-N 1 0 240.347 0.653 10 0 BCAERO C[C@@H]1CC[NH2+][C@H](C(=O)N[C@H]2CCC[C@H](O)C2)C1 ZINC000253158569 487856539 /nfs/dbraw/zinc/85/65/39/487856539.db2.gz RFHKNXBZJMGOJF-RHYQMDGZSA-N 1 0 240.347 0.794 10 0 BCAERO COC[C@H]1CCN(C(=O)[C@@]2(C)CCC[NH2+]2)C1 ZINC000081061038 487859157 /nfs/dbraw/zinc/85/91/57/487859157.db2.gz PPXYXKOORYLQDQ-CMPLNLGQSA-N 1 0 226.320 0.623 10 0 BCAERO COC[C@H](CN1CC[N@@H+]2CCCC[C@@H]2C1)OC ZINC000234708612 487861271 /nfs/dbraw/zinc/86/12/71/487861271.db2.gz FFAJSLKZQUXFDD-OLZOCXBDSA-N 1 0 242.363 0.818 10 0 BCAERO CO[C@H]1C[NH2+][C@@H](C(=O)N(C)[C@@H](C)C2CC2)C1 ZINC000226688311 487865492 /nfs/dbraw/zinc/86/54/92/487865492.db2.gz YIKPDICMGGMYAH-JMJZKYOTSA-N 1 0 226.320 0.620 10 0 BCAERO CN(Cc1cn[nH]c1)C[C@@H]1CC[N@H+](C)C1 ZINC000681919634 487867658 /nfs/dbraw/zinc/86/76/58/487867658.db2.gz DVNZSEFRCPWTAO-SNVBAGLBSA-N 1 0 208.309 0.793 10 0 BCAERO COCCOC[C@@H](O)C[NH2+]CC[C@@H]1CCCO1 ZINC000234722873 487868340 /nfs/dbraw/zinc/86/83/40/487868340.db2.gz LGNJGGCITVBIHH-RYUDHWBXSA-N 1 0 247.335 0.169 10 0 BCAERO C[C@H](NC(=O)[C@@H]1CCC[C@@H]1C[NH3+])c1cn[nH]c1 ZINC000226697055 487869174 /nfs/dbraw/zinc/86/91/74/487869174.db2.gz IKEWCOWVLGIMOZ-IQJOONFLSA-N 1 0 236.319 0.962 10 0 BCAERO COCCCNC(=O)C[C@H]([NH3+])C(C)C ZINC000128891343 487874827 /nfs/dbraw/zinc/87/48/27/487874827.db2.gz BWNCQBOJQLFOGA-VIFPVBQESA-N 1 0 202.298 0.513 10 0 BCAERO C[NH2+][C@@H](C)CNC(=O)c1cccnc1OC ZINC000304327743 487889463 /nfs/dbraw/zinc/88/94/63/487889463.db2.gz TYKZURRQTPGNRQ-QMMMGPOBSA-N 1 0 223.276 0.428 10 0 BCAERO C[C@@H]1CN(C(=O)CCCCO)C[C@H]1[NH+](C)C ZINC000125309823 487890196 /nfs/dbraw/zinc/89/01/96/487890196.db2.gz PUTBXYJNBICVFY-GHMZBOCLSA-N 1 0 228.336 0.558 10 0 BCAERO COc1cccnc1NC[C@H]1COCC[NH2+]1 ZINC000234950291 487896627 /nfs/dbraw/zinc/89/66/27/487896627.db2.gz ZJDXNFZFOSODRY-VIFPVBQESA-N 1 0 223.276 0.491 10 0 BCAERO COC[C@H]([NH3+])C(=O)NC[C@H](C)C1CC1 ZINC000132987681 487906725 /nfs/dbraw/zinc/90/67/25/487906725.db2.gz ZNLJOACMURMSNX-CBAPKCEASA-N 1 0 200.282 0.122 10 0 BCAERO CN(Cc1ncc[nH]1)C(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000080530541 487911622 /nfs/dbraw/zinc/91/16/22/487911622.db2.gz OYHJZXBDKOTKSI-UWVGGRQHSA-N 1 0 236.319 0.886 10 0 BCAERO C[C@@H](O)CCN(C)C(=O)C1CCC([NH3+])CC1 ZINC000157698880 487918692 /nfs/dbraw/zinc/91/86/92/487918692.db2.gz VLYMEQALMZXHOL-KPPDAEKUSA-N 1 0 228.336 0.733 10 0 BCAERO O=C(NC[C@H]1CCCC[C@@H]1O)[C@H]1CCC[NH2+]1 ZINC000157728221 487918492 /nfs/dbraw/zinc/91/84/92/487918492.db2.gz FJZCHQYSUKAIJS-MXWKQRLJSA-N 1 0 226.320 0.406 10 0 BCAERO C[C@H](O)CCN(C)C(=O)C1CCC([NH3+])CC1 ZINC000157698737 487918823 /nfs/dbraw/zinc/91/88/23/487918823.db2.gz VLYMEQALMZXHOL-WHXUTIOJSA-N 1 0 228.336 0.733 10 0 BCAERO CC[NH2+]Cc1cn(Cc2nccn2CC)nn1 ZINC000090296501 487928751 /nfs/dbraw/zinc/92/87/51/487928751.db2.gz BKYFKHKVXXRMRN-UHFFFAOYSA-N 1 0 234.307 0.652 10 0 BCAERO CC[C@H]1CN(C(=O)[C@@H]2CCCO2)CC[C@@H]1[NH3+] ZINC000157902044 487928808 /nfs/dbraw/zinc/92/88/08/487928808.db2.gz DGONGOZEGYHGEI-DCAQKATOSA-N 1 0 226.320 0.751 10 0 BCAERO O=C(N[C@H]1CCC[C@@H](O)C1)[C@@H]1CCCC[NH2+]1 ZINC000157992170 487932897 /nfs/dbraw/zinc/93/28/97/487932897.db2.gz YJBBSTJBHOEXOJ-AXFHLTTASA-N 1 0 226.320 0.548 10 0 BCAERO CC(C)[C@H](C)[NH2+]C[C@H](O)Cn1cccn1 ZINC000037885462 487935987 /nfs/dbraw/zinc/93/59/87/487935987.db2.gz LJNOCKQRVRXBGY-QWRGUYRKSA-N 1 0 211.309 0.878 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@H]1CCO[C@H]1C ZINC000235301878 487941733 /nfs/dbraw/zinc/94/17/33/487941733.db2.gz SKJIWSQTYLYIHD-RGOKHQFPSA-N 1 0 212.293 0.136 10 0 BCAERO Cc1nc(C)c(C(=O)N2C[C@@H](C)[C@@H]([NH3+])C2)o1 ZINC000235326262 487942411 /nfs/dbraw/zinc/94/24/11/487942411.db2.gz NGWNGQDKIXJSCC-MUWHJKNJSA-N 1 0 223.276 0.711 10 0 BCAERO C[C@@H](O)C[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000300216470 533705169 /nfs/dbraw/zinc/70/51/69/533705169.db2.gz QAFNPPUNRXUSJO-WOPDTQHZSA-N 1 0 213.321 0.994 10 0 BCAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1CC1(CO)COC1 ZINC000151441943 323016515 /nfs/dbraw/zinc/01/65/15/323016515.db2.gz XBEMSFSGDWZFIE-NWDGAFQWSA-N 1 0 240.347 0.164 10 0 BCAERO C[NH2+][C@H](C)C(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000565211709 323033563 /nfs/dbraw/zinc/03/35/63/323033563.db2.gz CXSLKNFSVKUAPX-LMLFDSFASA-N 1 0 238.331 0.668 10 0 BCAERO C[NH2+][C@H](C)C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000565211714 323033692 /nfs/dbraw/zinc/03/36/92/323033692.db2.gz CXSLKNFSVKUAPX-YTWAJWBKSA-N 1 0 238.331 0.668 10 0 BCAERO Cc1cnn(CC[NH2+][C@H]2CCCN(C)C2=O)c1 ZINC000540905531 323089805 /nfs/dbraw/zinc/08/98/05/323089805.db2.gz IMPUQVSCNUDGLN-NSHDSACASA-N 1 0 236.319 0.402 10 0 BCAERO COc1cc(N[C@H](CC[NH3+])C(F)F)ncn1 ZINC000394768600 323108545 /nfs/dbraw/zinc/10/85/45/323108545.db2.gz DOOFCRXPJBLPPZ-ZCFIWIBFSA-N 1 0 232.234 0.880 10 0 BCAERO CC(C)(C)[C@@H](O)C[NH2+][C@@H](CO)CC(F)F ZINC000563536446 323129031 /nfs/dbraw/zinc/12/90/31/323129031.db2.gz KXQXPJWMTKMKHV-SFYZADRCSA-N 1 0 225.279 0.999 10 0 BCAERO Cn1nccc1[C@H](O)[C@@H]1CCC[N@H+](C)C1 ZINC000521402191 323201184 /nfs/dbraw/zinc/20/11/84/323201184.db2.gz WYFDRRPMUUFIRH-MWLCHTKSSA-N 1 0 209.293 0.795 10 0 BCAERO CC[NH2+][C@H](C)CNc1nccc(OC)n1 ZINC000395669834 323236333 /nfs/dbraw/zinc/23/63/33/323236333.db2.gz KQGOYXXIADFBLV-MRVPVSSYSA-N 1 0 210.281 0.895 10 0 BCAERO Cc1cnc([C@@H](C)NC(=O)C(C)(C)[NH3+])o1 ZINC000083887910 487958697 /nfs/dbraw/zinc/95/86/97/487958697.db2.gz CLOLGLGIJFGABH-SSDOTTSWSA-N 1 0 211.265 0.898 10 0 BCAERO C[C@@H]1C[C@@]2([NH2+]CCc3nc[nH]c32)[C@H](C)O1 ZINC000400387446 323949997 /nfs/dbraw/zinc/94/99/97/323949997.db2.gz IYSIYGNIIPOFHA-VHSKPIJISA-N 1 0 207.277 0.948 10 0 BCAERO CCN1CCO[C@@H](C[NH3+])[C@@H]1c1nccn1C ZINC000385382562 323950093 /nfs/dbraw/zinc/95/00/93/323950093.db2.gz SKBREXSZSGLXRL-VHSXEESVSA-N 1 0 224.308 0.141 10 0 BCAERO CC1(C)[C@H]([NH3+])[C@@H]2CCCS(=O)(=O)[C@@H]21 ZINC000536953315 323960632 /nfs/dbraw/zinc/96/06/32/323960632.db2.gz HCQQMMJHCASZLZ-RNJXMRFFSA-N 1 0 203.307 0.547 10 0 BCAERO [NH3+]C1CCC(C(=O)NCc2ccc(=O)[nH]c2)CC1 ZINC000083908345 487962639 /nfs/dbraw/zinc/96/26/39/487962639.db2.gz XSABQDDWEGGJTR-UHFFFAOYSA-N 1 0 249.314 0.509 10 0 BCAERO OC[C@@H]1C[NH+](C[C@@H]2CC=CCC2)C[C@H]1CO ZINC000529639610 324368845 /nfs/dbraw/zinc/36/88/45/324368845.db2.gz PBIUHIULFARZLA-AGIUHOORSA-N 1 0 225.332 0.875 10 0 BCAERO Cc1cc(NC(=O)[C@@H](C)C2C[NH2+]C2)n[nH]1 ZINC000129246208 324931320 /nfs/dbraw/zinc/93/13/20/324931320.db2.gz VZKMSJNFOPHOLY-ZETCQYMHSA-N 1 0 208.265 0.512 10 0 BCAERO CCN(C)C(=O)CC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000130037304 325006911 /nfs/dbraw/zinc/00/69/11/325006911.db2.gz XWPBGKAAUSKQKR-QWRGUYRKSA-N 1 0 228.336 0.964 10 0 BCAERO O=C(C[C@H]1CCC[NH2+]C1)NCc1ncc[nH]1 ZINC000070646667 325020462 /nfs/dbraw/zinc/02/04/62/325020462.db2.gz GNGLLSNVSHKIBT-SECBINFHSA-N 1 0 222.292 0.416 10 0 BCAERO CCC[C@H](C(=O)NCC[C@@H](O)COC)[NH+](C)C ZINC000130791484 325089018 /nfs/dbraw/zinc/08/90/18/325089018.db2.gz JWQYZDAGDCSMQV-GHMZBOCLSA-N 1 0 246.351 0.230 10 0 BCAERO CCC[C@@H](C(=O)NCC[C@@H](O)COC)[NH+](C)C ZINC000130791303 325089149 /nfs/dbraw/zinc/08/91/49/325089149.db2.gz JWQYZDAGDCSMQV-MNOVXSKESA-N 1 0 246.351 0.230 10 0 BCAERO C[NH2+][C@H](C)C(=O)N1CCO[C@H](C(C)C)C1 ZINC000566689971 326075178 /nfs/dbraw/zinc/07/51/78/326075178.db2.gz XFPYQDPLQIIJOK-ZJUUUORDSA-N 1 0 214.309 0.478 10 0 BCAERO CCOc1nccnc1N1CCC[C@@H]([NH3+])C1 ZINC000566846473 326087292 /nfs/dbraw/zinc/08/72/92/326087292.db2.gz VNUJSMLUUPFAAP-SECBINFHSA-N 1 0 222.292 0.803 10 0 BCAERO Cc1cnn(CCNC(=O)[C@@H]([NH3+])CC(F)F)c1 ZINC000310088365 326183442 /nfs/dbraw/zinc/18/34/42/326183442.db2.gz PHWIVOKDOAOAHN-QMMMGPOBSA-N 1 0 246.261 0.290 10 0 BCAERO C[C@H]1C[C@@H]1CNC(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000156872863 326246341 /nfs/dbraw/zinc/24/63/41/326246341.db2.gz DOPLRIATCNRPIQ-WDEREUQCSA-N 1 0 239.363 0.442 10 0 BCAERO CC[N@@H+]1CCC[C@@H]1CN(C)[C@@H](C)C(=O)N(C)C ZINC000157132147 326258193 /nfs/dbraw/zinc/25/81/93/326258193.db2.gz XZDZXCQFUHVIPI-NWDGAFQWSA-N 1 0 241.379 0.879 10 0 BCAERO CC(C)N1CC[C@H]([NH2+]C[C@H](O)C(C)(C)C)C1=O ZINC000567891618 326277520 /nfs/dbraw/zinc/27/75/20/326277520.db2.gz MBSYJBSLWARMMF-QWRGUYRKSA-N 1 0 242.363 0.992 10 0 BCAERO CC(C)n1nnnc1CN1CC[C@H]([NH3+])C[C@@H]1C ZINC000568162843 326316742 /nfs/dbraw/zinc/31/67/42/326316742.db2.gz IHRVKIPXYDQLQC-UWVGGRQHSA-N 1 0 238.339 0.566 10 0 BCAERO Cc1ncc(C[NH2+][C@@H]2CCC(=O)N[C@@H]2C)n1C ZINC000568269569 326338047 /nfs/dbraw/zinc/33/80/47/326338047.db2.gz PGTRLWVRMYSNNV-LDYMZIIASA-N 1 0 236.319 0.485 10 0 BCAERO COCC(C)(C)NC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000158778175 487975074 /nfs/dbraw/zinc/97/50/74/487975074.db2.gz WHQFCINFSYUBNW-UWVGGRQHSA-N 1 0 228.336 0.903 10 0 BCAERO CO[C@H](C[N@@H+]1CCOC[C@@H]1CO)C1CC1 ZINC000400289409 487975240 /nfs/dbraw/zinc/97/52/40/487975240.db2.gz VRQKJLWREWGMIN-WDEREUQCSA-N 1 0 215.293 0.105 10 0 BCAERO COC[C@H](C)NC(=O)CC[C@H]1CC[NH2+]C1 ZINC000134465510 487983837 /nfs/dbraw/zinc/98/38/37/487983837.db2.gz GCMFSCWYTGEHOR-UWVGGRQHSA-N 1 0 214.309 0.527 10 0 BCAERO C[C@@]1(C(=O)N[C@@H]2CCCOC2)CCC[NH2+]1 ZINC000070619384 487984543 /nfs/dbraw/zinc/98/45/43/487984543.db2.gz FQIKRMKLTXZLIF-KOLCDFICSA-N 1 0 212.293 0.424 10 0 BCAERO O=C(NC1CCCCC1)[C@]1(O)CCC[NH2+]C1 ZINC000220494969 487985599 /nfs/dbraw/zinc/98/55/99/487985599.db2.gz DLVZUELHTDSQGL-LBPRGKRZSA-N 1 0 226.320 0.550 10 0 BCAERO CC(C)[NH2+]CC(=O)N[C@@H]1CCO[C@@H]1C ZINC000134551322 487985608 /nfs/dbraw/zinc/98/56/08/487985608.db2.gz GHVDXURZCRKZHB-RKDXNWHRSA-N 1 0 200.282 0.278 10 0 BCAERO C[C@H]1OCC[C@@H]1NC(=O)CCCC[NH3+] ZINC000134548856 487989856 /nfs/dbraw/zinc/98/98/56/487989856.db2.gz CDJJXBHPFCTVHA-BDAKNGLRSA-N 1 0 200.282 0.409 10 0 BCAERO O=C(Nc1cccc(O)c1)[C@@H]1C[NH2+]CCOC1 ZINC000643768243 487995045 /nfs/dbraw/zinc/99/50/45/487995045.db2.gz ZHNXBXBDYRIHCX-SECBINFHSA-N 1 0 236.271 0.567 10 0 BCAERO CC(C)OCCNC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000159156232 487996817 /nfs/dbraw/zinc/99/68/17/487996817.db2.gz RZDLZBDJSVDGNZ-QWRGUYRKSA-N 1 0 228.336 0.903 10 0 BCAERO C[C@H]1CN(CC(=O)Nc2nccs2)C[C@@H]1[NH3+] ZINC000235656968 487998982 /nfs/dbraw/zinc/99/89/82/487998982.db2.gz NSGBSXYUXNIWRY-YUMQZZPRSA-N 1 0 240.332 0.361 10 0 BCAERO CCOc1cc(N2CC[C@H](C[NH3+])C2)nc(C)n1 ZINC000090787832 488001143 /nfs/dbraw/zinc/00/11/43/488001143.db2.gz LYCLPESOJKQQMF-SNVBAGLBSA-N 1 0 236.319 0.969 10 0 BCAERO C[NH2+][C@@H](C)C(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000054075243 488004448 /nfs/dbraw/zinc/00/44/48/488004448.db2.gz HDRZOBKVBSRWOT-DCAQKATOSA-N 1 0 226.320 0.764 10 0 BCAERO CN1C[C@H](C[NH2+]CC[C@H]2CCOC2)CC1=O ZINC000668616237 488009546 /nfs/dbraw/zinc/00/95/46/488009546.db2.gz KCKUGQJJXXWOBL-QWRGUYRKSA-N 1 0 226.320 0.481 10 0 BCAERO COC[C@H](C)C[NH2+]C[C@H]1CC(=O)N(C)C1 ZINC000668616463 488010210 /nfs/dbraw/zinc/01/02/10/488010210.db2.gz NFEGABVLWIFXPR-NXEZZACHSA-N 1 0 214.309 0.337 10 0 BCAERO CCc1cc(NC(=O)[C@@H]2C[NH2+]C[C@H]2C)n[nH]1 ZINC000159464880 488032638 /nfs/dbraw/zinc/03/26/38/488032638.db2.gz NEXCTTMFJFSYKZ-VXNVDRBHSA-N 1 0 222.292 0.766 10 0 BCAERO CC(C)[C@@H](C)[NH+]1CCC(O)(C(N)=O)CC1 ZINC000318989064 488038251 /nfs/dbraw/zinc/03/82/51/488038251.db2.gz KCCOSZDJOQYKMD-SECBINFHSA-N 1 0 214.309 0.343 10 0 BCAERO Cc1nnsc1C(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000084212613 488037771 /nfs/dbraw/zinc/03/77/71/488037771.db2.gz UQNNPVRQZCLFCP-HTQZYQBOSA-N 1 0 240.332 0.704 10 0 BCAERO CC(C)[NH2+]CC(=O)NC[C@H]1CCC[C@@H]1O ZINC000084238514 488039843 /nfs/dbraw/zinc/03/98/43/488039843.db2.gz RSEHMJPMKGAUNE-ZJUUUORDSA-N 1 0 214.309 0.262 10 0 BCAERO CC(C)([NH3+])CCC(=O)NC[C@@H]1CCC[C@H]1O ZINC000084238323 488039575 /nfs/dbraw/zinc/03/95/75/488039575.db2.gz OETXJRAVNWZWLJ-VHSXEESVSA-N 1 0 228.336 0.781 10 0 BCAERO C[C@]1(C(=O)NC[C@@H]2CCC[C@@H]2O)CCC[NH2+]1 ZINC000084238432 488039628 /nfs/dbraw/zinc/03/96/28/488039628.db2.gz QGAOLHJNBWHZHD-JBLDHEPKSA-N 1 0 226.320 0.406 10 0 BCAERO O=C(C[C@@H]1C[NH2+]CCO1)NCC[C@@H]1CCCO1 ZINC000091309716 488042063 /nfs/dbraw/zinc/04/20/63/488042063.db2.gz XDRNYTFUSDKLLN-WDEREUQCSA-N 1 0 242.319 0.050 10 0 BCAERO [NH3+]C[C@H]1CCC[C@@H]1C(=O)N1CCOCC1 ZINC000084308485 488042193 /nfs/dbraw/zinc/04/21/93/488042193.db2.gz WBYYZAQYOUCBGO-ZJUUUORDSA-N 1 0 212.293 0.220 10 0 BCAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)NCc1cc[nH]n1 ZINC000084310263 488043606 /nfs/dbraw/zinc/04/36/06/488043606.db2.gz WTDAFWDIRJYNMP-PSASIEDQSA-N 1 0 222.292 0.401 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)Nc1cn[nH]c1 ZINC000084309516 488044234 /nfs/dbraw/zinc/04/42/34/488044234.db2.gz LUWRWHWMNUTPPO-IONNQARKSA-N 1 0 208.265 0.723 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)N[C@@H]1CCCOC1 ZINC000084310926 488044600 /nfs/dbraw/zinc/04/46/00/488044600.db2.gz OAVFCYJZJDWYQP-HBNTYKKESA-N 1 0 226.320 0.657 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)NCc1ncc[nH]1 ZINC000084311254 488044766 /nfs/dbraw/zinc/04/47/66/488044766.db2.gz VHZXENLFCLGPAK-IUCAKERBSA-N 1 0 222.292 0.401 10 0 BCAERO CC[C@H](NC(=O)COC1(C)C[NH2+]C1)C(C)C ZINC000165837920 488045745 /nfs/dbraw/zinc/04/57/45/488045745.db2.gz KRBKHVICVFHELW-JTQLQIEISA-N 1 0 228.336 0.916 10 0 BCAERO O=C(C[C@@H]1CC[NH2+]C1)N[C@@H]1CCC[C@@H](O)C1 ZINC000084382235 488048293 /nfs/dbraw/zinc/04/82/93/488048293.db2.gz KMXAELGVYNJVJA-HBNTYKKESA-N 1 0 226.320 0.406 10 0 BCAERO O=C([C@H]1CCC[NH2+]1)N1CCO[C@H]2CCCC[C@H]21 ZINC000133255085 488051006 /nfs/dbraw/zinc/05/10/06/488051006.db2.gz BRRJSUWOBJZXFY-UTUOFQBUSA-N 1 0 238.331 0.908 10 0 BCAERO CC(C)COC[C@@H](O)C[NH2+]CC1CC(O)C1 ZINC000084448833 488053005 /nfs/dbraw/zinc/05/30/05/488053005.db2.gz GVAXYEHQDCSKJT-MCIGGMRASA-N 1 0 231.336 0.380 10 0 BCAERO CO[C@@H]1CCCN(C(=O)C[C@H]([NH3+])C(C)C)C1 ZINC000230246729 488078435 /nfs/dbraw/zinc/07/84/35/488078435.db2.gz ZPRAHMYTDQQVPL-MNOVXSKESA-N 1 0 228.336 0.997 10 0 BCAERO Cc1cc(C(=O)N2CCC[C@@H]2C[NH3+])ncn1 ZINC000257701937 488084662 /nfs/dbraw/zinc/08/46/62/488084662.db2.gz OJNFFSQISFWDAQ-SECBINFHSA-N 1 0 220.276 0.348 10 0 BCAERO CC[N@@H+]1CCC[C@@H](NC(=O)CCCCO)C1 ZINC000092174751 488085532 /nfs/dbraw/zinc/08/55/32/488085532.db2.gz FWUJCRLUTKWNFU-LLVKDONJSA-N 1 0 228.336 0.750 10 0 BCAERO CCCCOC[C@@H](O)C[NH2+]C[C@H]1CCCO1 ZINC000227888016 488094449 /nfs/dbraw/zinc/09/44/49/488094449.db2.gz RMRZZXPGUJQPRI-NWDGAFQWSA-N 1 0 231.336 0.933 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N[C@H](C)c1c(C)noc1C ZINC000160006234 488097944 /nfs/dbraw/zinc/09/79/44/488097944.db2.gz KGGKTODHBZBLCY-HZGVNTEJSA-N 1 0 241.291 0.442 10 0 BCAERO CCNC(=O)CN(CC)C(=O)C[C@H]([NH3+])C(C)C ZINC000136376928 488100382 /nfs/dbraw/zinc/10/03/82/488100382.db2.gz OWUWKBMJDPYONA-JTQLQIEISA-N 1 0 243.351 0.344 10 0 BCAERO CC(C)NC(=O)CN(C)C(=O)C[C@@H]([NH3+])C(C)C ZINC000136378642 488100780 /nfs/dbraw/zinc/10/07/80/488100780.db2.gz QWGUHCIZYVVMGU-SNVBAGLBSA-N 1 0 243.351 0.343 10 0 BCAERO COCCOCCCNC(=O)C[C@@H]([NH3+])C(C)C ZINC000136429722 488102487 /nfs/dbraw/zinc/10/24/87/488102487.db2.gz RITFQSWGTCQTEM-LLVKDONJSA-N 1 0 246.351 0.529 10 0 BCAERO C[C@@H](O)CCNC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000378744462 488103086 /nfs/dbraw/zinc/10/30/86/488103086.db2.gz IGIRVIBAEFUARF-KXUCPTDWSA-N 1 0 214.309 0.391 10 0 BCAERO CC[C@@H]1C(=O)NCCN1C(=O)C[C@H]([NH3+])C(C)C ZINC000136462650 488103594 /nfs/dbraw/zinc/10/35/94/488103594.db2.gz ZVCSKEPPSNVUSB-VHSXEESVSA-N 1 0 241.335 0.097 10 0 BCAERO Nc1ccc(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)cn1 ZINC000094467059 487536892 /nfs/dbraw/zinc/53/68/92/487536892.db2.gz SERNAFNIZMMNRS-NSHDSACASA-N 1 0 246.314 0.584 10 0 BCAERO Nc1ccc(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cn1 ZINC000094467058 487537212 /nfs/dbraw/zinc/53/72/12/487537212.db2.gz SERNAFNIZMMNRS-LLVKDONJSA-N 1 0 246.314 0.584 10 0 BCAERO CCOC[C@H](O)CN1CC[C@H]([NH+](C)C)C1 ZINC000068951246 488115961 /nfs/dbraw/zinc/11/59/61/488115961.db2.gz VNZOITPNKOWCSY-WDEREUQCSA-N 1 0 216.325 0.020 10 0 BCAERO C[C@@H]([NH2+]C[C@@H]1CNC(=O)O1)c1cnn(C)c1 ZINC000381294512 488117454 /nfs/dbraw/zinc/11/74/54/488117454.db2.gz FVHVJAZRSCOLEQ-VXNVDRBHSA-N 1 0 224.264 0.179 10 0 BCAERO C[C@H]([NH2+]C[C@H]1CNC(=O)O1)c1cnn(C)c1 ZINC000381294510 488117991 /nfs/dbraw/zinc/11/79/91/488117991.db2.gz FVHVJAZRSCOLEQ-CBAPKCEASA-N 1 0 224.264 0.179 10 0 BCAERO O=C(NC[C@H]1C[NH2+]CCCO1)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000389856229 488119430 /nfs/dbraw/zinc/11/94/30/488119430.db2.gz WAAWTKIJLOYBKB-WRWGMCAJSA-N 1 0 238.331 0.527 10 0 BCAERO O=C(NC[C@H]1CC[NH2+]C1)NC[C@H]1CCCO1 ZINC000258678247 488126361 /nfs/dbraw/zinc/12/63/61/488126361.db2.gz TUHCNKCUGZGPRG-VHSXEESVSA-N 1 0 227.308 0.074 10 0 BCAERO CCCCOC[C@H](O)C[NH2+]C[C@H]1CC[C@@H](O)C1 ZINC000227687784 488129138 /nfs/dbraw/zinc/12/91/38/488129138.db2.gz SUAKNIBIBVJBJM-YNEHKIRRSA-N 1 0 245.363 0.915 10 0 BCAERO CO[C@@H]1C[N@H+](C[C@@H]2CCC[C@H](O)C2)C[C@@H]1OC ZINC000382385462 487540580 /nfs/dbraw/zinc/54/05/80/487540580.db2.gz FFVWRYBAVLBCGA-XQHKEYJVSA-N 1 0 243.347 0.883 10 0 BCAERO [NH3+][C@@H]1CC[C@@H](C(=O)N2CCO[C@@H]3CCC[C@@H]32)C1 ZINC000227796073 487541960 /nfs/dbraw/zinc/54/19/60/487541960.db2.gz JGXIYUPKPSRKSL-WISYIIOYSA-N 1 0 238.331 0.894 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)O1 ZINC000382426156 487543164 /nfs/dbraw/zinc/54/31/64/487543164.db2.gz MSCWKSPTLFDPDU-CHWFTXMASA-N 1 0 226.320 0.940 10 0 BCAERO CC[C@@H]1CN(C(=O)[C@@H](C)[NH2+]C)[C@H](C)CO1 ZINC000403761974 488135919 /nfs/dbraw/zinc/13/59/19/488135919.db2.gz OSSFYXXXDSILCG-OPRDCNLKSA-N 1 0 214.309 0.620 10 0 BCAERO C[C@@H](O)CCNC(=O)[C@H]1[NH2+]CCc2ccccc21 ZINC000085990112 487471105 /nfs/dbraw/zinc/47/11/05/487471105.db2.gz BKUUUDBACQFXBO-MFKMUULPSA-N 1 0 248.326 0.761 10 0 BCAERO CC(C)(C)OC(=O)N1C[C@@H]2C[NH2+]C[C@@H]2[C@@H]1CO ZINC000145594079 487472326 /nfs/dbraw/zinc/47/23/26/487472326.db2.gz PEUZQFKMLQKCCY-GUBZILKMSA-N 1 0 242.319 0.434 10 0 BCAERO COC[C@H](C)NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000019433514 487473269 /nfs/dbraw/zinc/47/32/69/487473269.db2.gz FXMBRHGJEWAFGE-GWCFXTLKSA-N 1 0 248.326 0.852 10 0 BCAERO Cc1cnc([C@H](C)NC(=O)[C@H]2CC[NH2+]C2)o1 ZINC000231744131 487473998 /nfs/dbraw/zinc/47/39/98/487473998.db2.gz IUXDYRBCDFRNES-IUCAKERBSA-N 1 0 223.276 0.770 10 0 BCAERO C[NH2+][C@H](C)C(=O)NC[C@@H](O)C(C)(C)C ZINC000324323861 487479963 /nfs/dbraw/zinc/47/99/63/487479963.db2.gz IOCREJVXPWKURS-HTQZYQBOSA-N 1 0 202.298 0.118 10 0 BCAERO CC(C)[C@@H](CO)NC(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000086125517 487484948 /nfs/dbraw/zinc/48/49/48/487484948.db2.gz VMYVZUXVSMOKOY-OUAUKWLOSA-N 1 0 228.336 0.637 10 0 BCAERO COC[C@H](C)NC(=O)[C@H]1CC[NH2+][C@@H]1C ZINC000086270550 487494296 /nfs/dbraw/zinc/49/42/96/487494296.db2.gz LGNAXUZLXVTXGE-YIZRAAEISA-N 1 0 200.282 0.136 10 0 BCAERO C[C@@H]1CN(C(=O)[C@@H]2C[C@H]3C[C@H]3C2)C[C@@H]1[NH3+] ZINC000300050269 487499621 /nfs/dbraw/zinc/49/96/21/487499621.db2.gz YCNPQLHGXQLEET-NZFPMDFQSA-N 1 0 208.305 0.838 10 0 BCAERO C[C@H](NC(=O)COCC[NH3+])c1cccs1 ZINC000086434375 487504263 /nfs/dbraw/zinc/50/42/63/487504263.db2.gz SRYMRZWLOBWSHM-QMMMGPOBSA-N 1 0 228.317 0.901 10 0 BCAERO O=C(C[C@@H]1CC[NH2+]C1)Nc1cncnc1 ZINC000232089009 487511309 /nfs/dbraw/zinc/51/13/09/487511309.db2.gz OGSUHTGPSXPVME-QMMMGPOBSA-N 1 0 206.249 0.415 10 0 BCAERO [NH3+]CC1(NC(=O)[C@@H]2C[C@H]3C[C@H]3C2)CCOCC1 ZINC000300708506 487507129 /nfs/dbraw/zinc/50/71/29/487507129.db2.gz QXKGGFDZYWFVJW-JGPRNRPPSA-N 1 0 238.331 0.657 10 0 BCAERO CO[C@H](C[NH3+])CC(=O)NCC[C@@H]1CCCO1 ZINC000232117277 487513958 /nfs/dbraw/zinc/51/39/58/487513958.db2.gz MWPXSAFWRRDLSN-UWVGGRQHSA-N 1 0 230.308 0.036 10 0 BCAERO OCC1CC([NH2+][C@H]2CO[C@H](C3CC3)C2)C1 ZINC000668779585 487524935 /nfs/dbraw/zinc/52/49/35/487524935.db2.gz FDKVXFPKEGSJST-PPUYLDTBSA-N 1 0 211.305 0.914 10 0 BCAERO CCNC(=O)C[NH2+][C@@H]1CO[C@H](C2CC2)C1 ZINC000667927135 488160818 /nfs/dbraw/zinc/16/08/18/488160818.db2.gz MKOUUWCBPGHNHS-UWVGGRQHSA-N 1 0 212.293 0.280 10 0 BCAERO CC(C)[C@@H]([NH3+])CC(=O)NCCNC(=O)C1CC1 ZINC000160767911 488162073 /nfs/dbraw/zinc/16/20/73/488162073.db2.gz FXLDBRKTIBEBJQ-JTQLQIEISA-N 1 0 241.335 0.002 10 0 BCAERO CCC[C@H]([NH3+])C(=O)NCc1cn(CC)nn1 ZINC000404450543 488162123 /nfs/dbraw/zinc/16/21/23/488162123.db2.gz GCPDVEJTWMJMAY-VIFPVBQESA-N 1 0 225.296 0.042 10 0 BCAERO C[C@H]1OCC[C@H]1NC(=O)C1CCC([NH3+])CC1 ZINC000134556110 488168245 /nfs/dbraw/zinc/16/82/45/488168245.db2.gz WDWDVWODMKZFLM-AGVGLQIMSA-N 1 0 226.320 0.798 10 0 BCAERO COCC1(NC(=O)[C@@H]2CCC[C@H]2C[NH3+])CC1 ZINC000648090858 487611961 /nfs/dbraw/zinc/61/19/61/487611961.db2.gz WCIGKTCTYHSAEH-VHSXEESVSA-N 1 0 226.320 0.657 10 0 BCAERO CC(C)(C)[C@@H](O)CNC(=O)c1ccc(C[NH3+])o1 ZINC000324631415 487635477 /nfs/dbraw/zinc/63/54/77/487635477.db2.gz TWESWLAYWLIREU-JTQLQIEISA-N 1 0 240.303 0.875 10 0 BCAERO CCN1CC[N@@H+]([C@@H]2CCC[C@H]2O)C[C@H]1C ZINC000252419377 487824206 /nfs/dbraw/zinc/82/42/06/487824206.db2.gz ZKWXQYYCRGJXLU-IJLUTSLNSA-N 1 0 212.337 0.926 10 0 BCAERO C[C@H]1CN(c2ncnc3nc[nH]c32)[C@@H](C)C[NH2+]1 ZINC000006187650 487996569 /nfs/dbraw/zinc/99/65/69/487996569.db2.gz VMWCESZLNHVQLZ-YUMQZZPRSA-N 1 0 232.291 0.540 10 0 BCAERO CN1CCO[C@H](C[NH2+][C@H]2CO[C@@H](C3CC3)C2)C1 ZINC000667854414 488139078 /nfs/dbraw/zinc/13/90/78/488139078.db2.gz BPYHOCPIFWQQNP-JHJVBQTASA-N 1 0 240.347 0.474 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)NC2(C[NH3+])CCOCC2)O1 ZINC000230730762 488142658 /nfs/dbraw/zinc/14/26/58/488142658.db2.gz NJFCTAVKXAFJEI-NXEZZACHSA-N 1 0 242.319 0.178 10 0 BCAERO C[C@H](O)C[N@H+](C)C[C@@H]1CCC[C@H](O)C1 ZINC000379648594 488145840 /nfs/dbraw/zinc/14/58/40/488145840.db2.gz BTGAMHVSMBPONA-AXFHLTTASA-N 1 0 201.310 0.850 10 0 BCAERO CN1CCC[C@H]1C[N@@H+]1CCCC[C@@H]1CO ZINC000379786612 488152237 /nfs/dbraw/zinc/15/22/37/488152237.db2.gz BFUFDULDXKXANT-NWDGAFQWSA-N 1 0 212.337 0.927 10 0 BCAERO COc1cc(NCC[NH2+]C2CC2)ncn1 ZINC000085481307 488176450 /nfs/dbraw/zinc/17/64/50/488176450.db2.gz CXFYSHDTTPBXEK-UHFFFAOYSA-N 1 0 208.265 0.649 10 0 BCAERO C[C@@H](NC(=O)CC[NH2+]C1CC1)[C@H]1CCCO1 ZINC000037478328 488185350 /nfs/dbraw/zinc/18/53/50/488185350.db2.gz AIQACUFTOSGCDW-MWLCHTKSSA-N 1 0 226.320 0.812 10 0 BCAERO C[NH2+][C@H](C)C(=O)N[C@@H]1CCC[C@H](O)C1 ZINC000054072691 488205361 /nfs/dbraw/zinc/20/53/61/488205361.db2.gz AFUBVCXAZXQQMS-HLTSFMKQSA-N 1 0 200.282 0.014 10 0 BCAERO Cn1cc([C@H]2CCCN2C(=O)CC2([NH3+])CC2)cn1 ZINC000398096619 488210325 /nfs/dbraw/zinc/21/03/25/488210325.db2.gz QMUWHNOYOGAZKX-LLVKDONJSA-N 1 0 248.330 0.965 10 0 BCAERO COC[C@@H](C)[NH2+]C[C@@H](C)CS(C)(=O)=O ZINC000308594474 488211576 /nfs/dbraw/zinc/21/15/76/488211576.db2.gz LWUVZHSKHHRHJD-RKDXNWHRSA-N 1 0 223.338 0.292 10 0 BCAERO O=C1C[C@H](C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)CN1 ZINC000398391531 488216379 /nfs/dbraw/zinc/21/63/79/488216379.db2.gz ZPUBNGJHTNJCFP-LMLFDSFASA-N 1 0 208.305 0.901 10 0 BCAERO CCc1cnc(CNC(=O)[C@@H]2CC[NH2+]C2)o1 ZINC000231645034 488218653 /nfs/dbraw/zinc/21/86/53/488218653.db2.gz GQCQQBRKXYFIFS-MRVPVSSYSA-N 1 0 223.276 0.463 10 0 BCAERO [NH3+]C1(C(=O)NC[C@H]2CCCC[C@@H]2O)CCCC1 ZINC000085986924 488222534 /nfs/dbraw/zinc/22/25/34/488222534.db2.gz WLRZTXCEMVDFIU-MNOVXSKESA-N 1 0 240.347 0.925 10 0 BCAERO CC(C)[NH2+]CC(=O)NC[C@H](O)C(C)(C)C ZINC000324332509 490057444 /nfs/dbraw/zinc/05/74/44/490057444.db2.gz KOJAIPMSRDXVJD-VIFPVBQESA-N 1 0 216.325 0.508 10 0 BCAERO C[C@@H]1C[C@H](NC(=O)[C@H]2CCC[NH2+][C@H]2C)CO1 ZINC000402071189 490146705 /nfs/dbraw/zinc/14/67/05/490146705.db2.gz ZOVUVPLLTSHXKA-RCWTZXSCSA-N 1 0 226.320 0.668 10 0 BCAERO CCOC[C@@H](O)CN1CC[C@@H]([NH+](C)C)C1 ZINC000225858941 490154715 /nfs/dbraw/zinc/15/47/15/490154715.db2.gz VNZOITPNKOWCSY-MNOVXSKESA-N 1 0 216.325 0.020 10 0 BCAERO C[C@]1(C(=O)N[C@H]2CCC[C@@H](O)C2)CCCC[NH2+]1 ZINC000227694207 490253765 /nfs/dbraw/zinc/25/37/65/490253765.db2.gz CEXGZWUVMBGOAB-DMDPSCGWSA-N 1 0 240.347 0.938 10 0 BCAERO C[C@@H](CO)C[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000121059233 490474402 /nfs/dbraw/zinc/47/44/02/490474402.db2.gz NBRIJRNXPJHMCV-NEPJUHHUSA-N 1 0 228.336 0.021 10 0 BCAERO CCOC[C@@H](C)[NH2+]C[C@@H]1CN(CC)CCO1 ZINC000219537895 490572681 /nfs/dbraw/zinc/57/26/81/490572681.db2.gz JTHPUOXCCFPANF-VXGBXAGGSA-N 1 0 230.352 0.722 10 0 BCAERO CO[C@@H]1C[C@@H](CO)[N@H+](Cc2ccncc2)C1 ZINC000309305001 490691033 /nfs/dbraw/zinc/69/10/33/490691033.db2.gz VIWJVUNLJXVYOR-NWDGAFQWSA-N 1 0 222.288 0.663 10 0 BCAERO Cc1c(C[NH2+][C@@H]2CCCN(C)C2)cnn1C ZINC000086551992 491063115 /nfs/dbraw/zinc/06/31/15/491063115.db2.gz GHXWPGKUGNFTCD-GFCCVEGCSA-N 1 0 222.336 0.912 10 0 BCAERO CC(C)CNc1nccc(NCC[NH3+])n1 ZINC000584636007 491070906 /nfs/dbraw/zinc/07/09/06/491070906.db2.gz LLSDSQFLNHBQBI-UHFFFAOYSA-N 1 0 209.297 0.915 10 0 BCAERO Cc1c(C[NH2+]C[C@H]2CCC[C@H]2O)cnn1C ZINC000086552173 491063071 /nfs/dbraw/zinc/06/30/71/491063071.db2.gz QDBZUDDCPKZBQU-ZYHUDNBSSA-N 1 0 223.320 0.979 10 0 BCAERO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)C[C@H]12 ZINC000385673943 491091018 /nfs/dbraw/zinc/09/10/18/491091018.db2.gz QAWSYNWDXZNAPP-OWSRUXPGSA-N 1 0 236.315 0.075 10 0 BCAERO C[C@H](CC(N)=O)[NH2+][C@@H]1CCC[C@@H](O)C1 ZINC000308636480 491137506 /nfs/dbraw/zinc/13/75/06/491137506.db2.gz CLSMKNOFENMGNK-IWSPIJDZSA-N 1 0 200.282 0.143 10 0 BCAERO Cc1cc(CN2C[C@H](F)C[C@@H]2C[NH3+])on1 ZINC000396503792 491123265 /nfs/dbraw/zinc/12/32/65/491123265.db2.gz YSBVDQGUDNYDDF-RKDXNWHRSA-N 1 0 213.256 0.854 10 0 BCAERO C[C@H]1CC[C@@H](O)C[N@@H+]1CCc1ccnn1C ZINC000399235783 491123361 /nfs/dbraw/zinc/12/33/61/491123361.db2.gz GQVJBIAKNJAFNL-CMPLNLGQSA-N 1 0 223.320 0.808 10 0 BCAERO c1nc2c([nH]1)C[C@H]([NH2+]C1CSC1)CC2 ZINC000307417317 491133516 /nfs/dbraw/zinc/13/35/16/491133516.db2.gz KDAITCMVMUXNBQ-SSDOTTSWSA-N 1 0 209.318 0.972 10 0 BCAERO C[C@H](C[NH2+]C1CSC1)N1CCOCC1 ZINC000308674318 491137714 /nfs/dbraw/zinc/13/77/14/491137714.db2.gz VUKMYVCHZJPRBN-SECBINFHSA-N 1 0 216.350 0.412 10 0 BCAERO OCCN1CCC[C@H]([NH2+]C[C@@H]2CCSC2)C1 ZINC000309630237 491153186 /nfs/dbraw/zinc/15/31/86/491153186.db2.gz KCZSQRRHIBHLNY-RYUDHWBXSA-N 1 0 244.404 0.786 10 0 BCAERO CCN1OC[C@H]([NH2+][C@@H](C)[C@H]2CCCO2)C1=O ZINC000309930143 491158358 /nfs/dbraw/zinc/15/83/58/491158358.db2.gz XNHSISPAVQUPAV-LPEHRKFASA-N 1 0 228.292 0.306 10 0 BCAERO CCN1CCO[C@@H](C[NH2+]Cc2cn(C)cn2)C1 ZINC000310488099 491161722 /nfs/dbraw/zinc/16/17/22/491161722.db2.gz GMOUJXKVKQULDF-LBPRGKRZSA-N 1 0 238.335 0.230 10 0 BCAERO COC[C@H](O)c1nc(C)c(CC[NH3+])s1 ZINC000757126897 582501651 /nfs/dbraw/zinc/50/16/51/582501651.db2.gz HRBVARZKTJZWAU-ZETCQYMHSA-N 1 0 216.306 0.633 10 0 BCAERO C1COC[C@@]2(C[NH2+]C3(CCSCC3)OC2)N1 ZINC000757140484 582520684 /nfs/dbraw/zinc/52/06/84/582520684.db2.gz JHHITKAKXWQUKS-SNVBAGLBSA-N 1 0 244.360 0.188 10 0 BCAERO CC[C@@H]([NH3+])CS(=O)(=O)N1CCCCCC1 ZINC000757147568 582531905 /nfs/dbraw/zinc/53/19/05/582531905.db2.gz CQDNLWRFGCUVMX-SNVBAGLBSA-N 1 0 234.365 0.930 10 0 BCAERO C1CCC2(C1)[NH2+]C[C@]1(COCCN1)CO2 ZINC000757148241 582531982 /nfs/dbraw/zinc/53/19/82/582531982.db2.gz TXNKJSPSBUWZDQ-JTQLQIEISA-N 1 0 212.293 0.235 10 0 BCAERO C1OCC12C[NH2+][C@]1(CCCSC1)OC2 ZINC000757147805 582531769 /nfs/dbraw/zinc/53/17/69/582531769.db2.gz SSAYPSLJYXWFDZ-SNVBAGLBSA-N 1 0 215.318 0.846 10 0 BCAERO CCC[C@@H]([NH3+])CS(=O)(=O)N1CCCCC1 ZINC000757153154 582537210 /nfs/dbraw/zinc/53/72/10/582537210.db2.gz NOOMOMXIEKUIHH-SNVBAGLBSA-N 1 0 234.365 0.930 10 0 BCAERO [NH3+]C[C@@H]1CCN1c1cc(C2CC2)ncn1 ZINC000757153612 582538866 /nfs/dbraw/zinc/53/88/66/582538866.db2.gz VKAVSZDLIGDMKX-VIFPVBQESA-N 1 0 204.277 0.891 10 0 BCAERO CC(C)(C)OC(=O)N[C@@H]1CC(=O)C12C[NH2+]C2 ZINC000757168630 582549509 /nfs/dbraw/zinc/54/95/09/582549509.db2.gz JXEBLPUHQAHTLF-SSDOTTSWSA-N 1 0 226.276 0.442 10 0 BCAERO CCOC(=O)/C=C1/CC[N@H+](CCOC)C1 ZINC000757191431 582556589 /nfs/dbraw/zinc/55/65/89/582556589.db2.gz PHCPXXBIOYJYGJ-NTMALXAHSA-N 1 0 213.277 0.828 10 0 BCAERO CN(CC(=O)c1ccccn1)[C@H]1CC[NH2+]C1 ZINC000095070701 517922660 /nfs/dbraw/zinc/92/26/60/517922660.db2.gz QXXRAQUFTMUNEG-JTQLQIEISA-N 1 0 219.288 0.558 10 0 BCAERO C[NH2+][C@H](C)C(=O)Nc1cccnc1N(C)C ZINC000054073724 517976690 /nfs/dbraw/zinc/97/66/90/517976690.db2.gz AENKZYRZBDGJDF-MRVPVSSYSA-N 1 0 222.292 0.694 10 0 BCAERO C[NH2+][C@@H](C)CNc1cc(C)nc2ncnn21 ZINC000261584092 536344203 /nfs/dbraw/zinc/34/42/03/536344203.db2.gz PKWFRGCTGSVVDL-QMMMGPOBSA-N 1 0 220.280 0.453 10 0 BCAERO CCOC(=O)c1c[nH]c2c(c1=O)C[NH2+]C2 ZINC000072221117 521420947 /nfs/dbraw/zinc/42/09/47/521420947.db2.gz KZCVOYMDGNVGCT-UHFFFAOYSA-N 1 0 208.217 0.155 10 0 BCAERO CC[C@H]([NH3+])CNC(=O)Cc1ccccn1 ZINC000082578639 522330272 /nfs/dbraw/zinc/33/02/72/522330272.db2.gz ZXYGMYOBKNYXCM-VIFPVBQESA-N 1 0 207.277 0.478 10 0 BCAERO C[NH2+][C@@H]1CCCN(c2ncccc2O)C1 ZINC000095071431 536366045 /nfs/dbraw/zinc/36/60/45/536366045.db2.gz HGJSPNXYRUANGC-SECBINFHSA-N 1 0 207.277 0.975 10 0 BCAERO CN1N=C(N2CC[NH2+]CC2)C[C@@H]1C(F)(F)F ZINC000057347333 524031085 /nfs/dbraw/zinc/03/10/85/524031085.db2.gz IMIZDBUXIMRZPW-SSDOTTSWSA-N 1 0 236.241 0.472 10 0 BCAERO C[NH2+][C@H](C)CNC(=O)CCOC1CCOCC1 ZINC000261853215 536391440 /nfs/dbraw/zinc/39/14/40/536391440.db2.gz XPBYUIUGOPCEKO-SNVBAGLBSA-N 1 0 244.335 0.296 10 0 BCAERO CC[NH2+][C@@](C)(Cn1ccnc1C)C(N)=O ZINC000045432988 582878849 /nfs/dbraw/zinc/87/88/49/582878849.db2.gz PMODENBLQGCYFC-JTQLQIEISA-N 1 0 210.281 0.045 10 0 BCAERO CC[NH2+][C@](C)(CCn1cccn1)C(N)=O ZINC000045435238 582878953 /nfs/dbraw/zinc/87/89/53/582878953.db2.gz DNELAUMXAARUID-SNVBAGLBSA-N 1 0 210.281 0.127 10 0 BCAERO CCOC(=O)[C@@](C)([NH3+])CCn1ccnc1 ZINC000045432306 582879494 /nfs/dbraw/zinc/87/94/94/582879494.db2.gz FRHMHZWXHKORGT-JTQLQIEISA-N 1 0 211.265 0.554 10 0 BCAERO CC(=O)c1cc(C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)n(C)c1 ZINC000335378598 534808071 /nfs/dbraw/zinc/80/80/71/534808071.db2.gz DJJGILSFUBDPIG-LDYMZIIASA-N 1 0 249.314 0.647 10 0 BCAERO C[C@]([NH3+])(CCn1cc(Cl)cn1)C(N)=O ZINC000045436981 582879951 /nfs/dbraw/zinc/87/99/51/582879951.db2.gz XTNXKMONZACRNG-QMMMGPOBSA-N 1 0 216.672 0.129 10 0 BCAERO C[NH2+][C@H](C)CNc1ccnc(N(C)C)n1 ZINC000261538710 536404271 /nfs/dbraw/zinc/40/42/71/536404271.db2.gz ZAJUEAMAMNVDTE-MRVPVSSYSA-N 1 0 209.297 0.562 10 0 BCAERO C[NH2+]C[C@H]1CCCN(c2ccncn2)C1 ZINC000040863488 536466270 /nfs/dbraw/zinc/46/62/70/536466270.db2.gz RSOYXFWNJGPCAO-SNVBAGLBSA-N 1 0 206.293 0.912 10 0 BCAERO C[NH2+]Cc1cc(N2CCS(=O)CC2)ccn1 ZINC000051484705 536468637 /nfs/dbraw/zinc/46/86/37/536468637.db2.gz WNDNYLMYRBOSOZ-UHFFFAOYSA-N 1 0 239.344 0.370 10 0 BCAERO CN(Cc1ccccc1)C(=O)CN[C@@H]1CC[NH2+]C1 ZINC000262070375 536478460 /nfs/dbraw/zinc/47/84/60/536478460.db2.gz JXDKAPIVTGPPND-CYBMUJFWSA-N 1 0 247.342 0.597 10 0 BCAERO CN(Cc1ccccc1F)[C@H]1C[NH2+]C[C@@H]1O ZINC000082524429 536483177 /nfs/dbraw/zinc/48/31/77/536483177.db2.gz UZTHZAHDCKFGSP-RYUDHWBXSA-N 1 0 224.279 0.590 10 0 BCAERO [NH3+]CCCNC(=O)c1cnccc1Cl ZINC000088109409 527180096 /nfs/dbraw/zinc/18/00/96/527180096.db2.gz NLLYYWJCSBXUFJ-UHFFFAOYSA-N 1 0 213.668 0.814 10 0 BCAERO [NH3+]CCOCCNC(=O)Cc1ccc(F)cc1 ZINC000074533422 527189585 /nfs/dbraw/zinc/18/95/85/527189585.db2.gz AHKFERWOSLARLG-UHFFFAOYSA-N 1 0 240.278 0.460 10 0 BCAERO O=c1[nH]c(=O)c2c([nH]1)CC[N@@H+](C1CCCC1)C2 ZINC000229006778 527434821 /nfs/dbraw/zinc/43/48/21/527434821.db2.gz JPELJHUVJIPVGT-UHFFFAOYSA-N 1 0 235.287 0.364 10 0 BCAERO CCC1(O)CC[NH+](C[C@H]2CNC(=O)O2)CC1 ZINC000496374982 527808673 /nfs/dbraw/zinc/80/86/73/527808673.db2.gz MQFGBMZJSIDANW-SECBINFHSA-N 1 0 228.292 0.332 10 0 BCAERO CCN(CC)C(=O)C[N@@H+]1C[C@H](C)C[C@@H](O)C1 ZINC000401758496 528026973 /nfs/dbraw/zinc/02/69/73/528026973.db2.gz QXGFJUGOSGYNLB-GHMZBOCLSA-N 1 0 228.336 0.558 10 0 BCAERO CCCNC(=O)C[N@@H+]1C[C@H](C)C[C@@H](O)C1 ZINC000401891332 528391432 /nfs/dbraw/zinc/39/14/32/528391432.db2.gz HKLVTUIZYQJMTF-NXEZZACHSA-N 1 0 214.309 0.215 10 0 BCAERO CCCCOC[C@H](O)C[N@@H+]1C[C@H](C)C[C@@H](O)C1 ZINC000401580850 528624988 /nfs/dbraw/zinc/62/49/88/528624988.db2.gz JXFVUYUYZXLUHX-JHJVBQTASA-N 1 0 245.363 0.867 10 0 BCAERO CC[C@H](C)NC(=O)[C@H](C)[N@@H+]1C[C@H](C)C[C@H](O)C1 ZINC000401672223 529171408 /nfs/dbraw/zinc/17/14/08/529171408.db2.gz VTILRCKNDZWWEV-RHYQMDGZSA-N 1 0 242.363 0.992 10 0 BCAERO CC(C)[C@H](C[NH3+])N1CCN(c2ncccn2)CC1 ZINC000019268602 534991336 /nfs/dbraw/zinc/99/13/36/534991336.db2.gz ITBWOCJNSNIIHI-LBPRGKRZSA-N 1 0 249.362 0.582 10 0 BCAERO CC(C)N(CC(N)=O)C(=O)CC[C@@H]1CCC[NH2+]1 ZINC000261566641 535046011 /nfs/dbraw/zinc/04/60/11/535046011.db2.gz ZJFFFADAKJRIGH-JTQLQIEISA-N 1 0 241.335 0.241 10 0 BCAERO CC(C)N(CC(N)=O)C(=O)CC[C@H]1CCC[NH2+]1 ZINC000261566642 535046217 /nfs/dbraw/zinc/04/62/17/535046217.db2.gz ZJFFFADAKJRIGH-SNVBAGLBSA-N 1 0 241.335 0.241 10 0 BCAERO CC(C)NC(=O)CCN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171639289 535267630 /nfs/dbraw/zinc/26/76/30/535267630.db2.gz VMWAHLMJSCFEEM-GFCCVEGCSA-N 1 0 239.363 0.681 10 0 BCAERO CC(C)OCCC(=O)NCC[C@@H](C)[NH3+] ZINC000178628686 535320687 /nfs/dbraw/zinc/32/06/87/535320687.db2.gz NVXFEHBAECOLRV-SECBINFHSA-N 1 0 202.298 0.655 10 0 BCAERO CCO[C@@H]1C[C@@H]1C(=O)NCCC[NH2+]C ZINC000178417099 535428935 /nfs/dbraw/zinc/42/89/35/535428935.db2.gz JATIFKZPEQRGCB-DTWKUNHWSA-N 1 0 200.282 0.137 10 0 BCAERO CC[C@@H](C)CNC(=O)C[C@@H]1COCC[NH2+]1 ZINC000087509501 535516454 /nfs/dbraw/zinc/51/64/54/535516454.db2.gz QLZKYOWSXNBSSB-NXEZZACHSA-N 1 0 214.309 0.527 10 0 BCAERO CCO[C@@H]1C[C@H]1C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000178959718 535529694 /nfs/dbraw/zinc/52/96/94/535529694.db2.gz HZVWDZJILSHMOK-HBNTYKKESA-N 1 0 226.320 0.527 10 0 BCAERO CCOCCCNC(=O)[C@H]([NH3+])C1CCOCC1 ZINC000261782613 535545432 /nfs/dbraw/zinc/54/54/32/535545432.db2.gz NAAHGMGGFSTEJD-LLVKDONJSA-N 1 0 244.335 0.283 10 0 BCAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)CNC(C)=O ZINC000177422939 535546026 /nfs/dbraw/zinc/54/60/26/535546026.db2.gz UERJTUKDPDJUOK-LLVKDONJSA-N 1 0 241.335 0.065 10 0 BCAERO CCOc1cncc(N2CC[NH2+]CC2)n1 ZINC000070569908 535566080 /nfs/dbraw/zinc/56/60/80/535566080.db2.gz TYIWFIBSWRDDHO-UHFFFAOYSA-N 1 0 208.265 0.285 10 0 BCAERO CCN(CC)C[C@H](C)[NH2+][C@H](C)CC(=O)NC ZINC000167313671 535590900 /nfs/dbraw/zinc/59/09/00/535590900.db2.gz NAPWYBKHXVQYQC-MNOVXSKESA-N 1 0 229.368 0.831 10 0 BCAERO CCOC(=O)[C@H](C)[N@@H+]1CC[C@@H](CCO)C1 ZINC000227568902 535627122 /nfs/dbraw/zinc/62/71/22/535627122.db2.gz XVDPOOVSPZZZRE-UWVGGRQHSA-N 1 0 215.293 0.642 10 0 BCAERO CCOC(=O)CCCNC(=O)[C@@H]1CCC[C@H]1[NH3+] ZINC000085376457 535636467 /nfs/dbraw/zinc/63/64/67/535636467.db2.gz TYKFSJBJWUSSKH-NXEZZACHSA-N 1 0 242.319 0.573 10 0 BCAERO CCCn1nccc1NC(=O)[C@@H]([NH3+])COC ZINC000262030553 535640846 /nfs/dbraw/zinc/64/08/46/535640846.db2.gz FADOIDZYRVHTQA-QMMMGPOBSA-N 1 0 226.280 0.205 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N[C@@H]1CCC[C@H](C(N)=O)C1 ZINC000262107487 535678746 /nfs/dbraw/zinc/67/87/46/535678746.db2.gz GBMFOYUMMIDQQT-AEJSXWLSSA-N 1 0 241.335 0.274 10 0 BCAERO CCC[C@H](O)CNC(=O)[C@@H]1CCC[C@H]1[NH3+] ZINC000252715080 535713215 /nfs/dbraw/zinc/71/32/15/535713215.db2.gz UOMQZDUNNXQFJR-IVZWLZJFSA-N 1 0 214.309 0.391 10 0 BCAERO CC[C@@H]1COCCN1C(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000085010795 535831153 /nfs/dbraw/zinc/83/11/53/535831153.db2.gz OORPDMJHLFXBIN-GARJFASQSA-N 1 0 226.320 0.751 10 0 BCAERO CCn1nccc1CN1CCC[C@H]1C[NH3+] ZINC000164145771 535868949 /nfs/dbraw/zinc/86/89/49/535868949.db2.gz QKZXNFMGYRTWQL-JTQLQIEISA-N 1 0 208.309 0.826 10 0 BCAERO C[NH+](C)C[C@@H]1CN(C[C@H]2CCC=CO2)CCO1 ZINC000248876920 535948266 /nfs/dbraw/zinc/94/82/66/535948266.db2.gz JQKQZUCWBQDNHF-CHWSQXEVSA-N 1 0 240.347 0.942 10 0 BCAERO C[NH+](C)C[C@H]1CN(C[C@H]2CCC=CO2)CCO1 ZINC000248876923 535969840 /nfs/dbraw/zinc/96/98/40/535969840.db2.gz JQKQZUCWBQDNHF-OLZOCXBDSA-N 1 0 240.347 0.942 10 0 BCAERO CC[C@@](C)(O)C[N@@H+]1CCC[C@](C)(O)C1 ZINC000251432354 536003680 /nfs/dbraw/zinc/00/36/80/536003680.db2.gz BIGZUMRVOYSXFA-MNOVXSKESA-N 1 0 201.310 0.994 10 0 BCAERO CC[C@H](C(=O)OC)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171641203 536102121 /nfs/dbraw/zinc/10/21/21/536102121.db2.gz JWCPYSNSTVDZMI-GHMZBOCLSA-N 1 0 226.320 0.718 10 0 BCAERO C[NH2+][C@@H](C)CNC(=O)C[C@H]1CCOC1 ZINC000261528546 536339302 /nfs/dbraw/zinc/33/93/02/536339302.db2.gz REEJFQSCCLOJIH-DTWKUNHWSA-N 1 0 200.282 0.137 10 0 BCAERO C[NH2+][C@@H](C)CNC(=O)c1cccc2nccnc21 ZINC000261555341 536343004 /nfs/dbraw/zinc/34/30/04/536343004.db2.gz BJIJRMBIBDFBLH-VIFPVBQESA-N 1 0 244.298 0.968 10 0 BCAERO C[NH2+][C@@H](C)CNS(=O)(=O)c1ccc(C)nc1 ZINC000261706131 536343636 /nfs/dbraw/zinc/34/36/36/536343636.db2.gz JOAXSUXLXKKBAG-VIFPVBQESA-N 1 0 243.332 0.276 10 0 BCAERO C[NH2+][C@@H]1CCCN(Cc2cnn(C)c2C)C1 ZINC000086552428 536363039 /nfs/dbraw/zinc/36/30/39/536363039.db2.gz WSOABQAGKSLKOT-GFCCVEGCSA-N 1 0 222.336 0.912 10 0 BCAERO C[NH2+][C@@H]1CCCN(c2ncc(C)cn2)C1 ZINC000063049074 536366237 /nfs/dbraw/zinc/36/62/37/536366237.db2.gz KILCZQSGKWPCIH-SNVBAGLBSA-N 1 0 206.293 0.973 10 0 BCAERO CN(CC[NH3+])[C@@H]1CCCN(c2cccnn2)C1 ZINC000263079441 536368678 /nfs/dbraw/zinc/36/86/78/536368678.db2.gz XKMKNJBEXKESLC-LLVKDONJSA-N 1 0 235.335 0.336 10 0 BCAERO C[NH2+][C@H](C)CNC(=O)C1CCSCC1 ZINC000261528669 536390829 /nfs/dbraw/zinc/39/08/29/536390829.db2.gz SIFOCWKKFUCWNL-MRVPVSSYSA-N 1 0 216.350 0.854 10 0 BCAERO C[NH2+][C@H](C)CNC(=O)CN(C)Cc1ccccc1 ZINC000261745923 536392089 /nfs/dbraw/zinc/39/20/89/536392089.db2.gz MWGWVEBJJCJNAI-GFCCVEGCSA-N 1 0 249.358 0.843 10 0 BCAERO C[NH2+][C@H](C)CNC(=O)Cc1cc(C)on1 ZINC000261546053 536392627 /nfs/dbraw/zinc/39/26/27/536392627.db2.gz KQIAZHNFIHRTIO-SSDOTTSWSA-N 1 0 211.265 0.250 10 0 BCAERO C[NH2+][C@H](C)CNC(=O)Cn1cc2ccccc2n1 ZINC000261694883 536393216 /nfs/dbraw/zinc/39/32/16/536393216.db2.gz ISVGRPXSFGQGDS-SNVBAGLBSA-N 1 0 246.314 0.760 10 0 BCAERO C[NH2+][C@H](C)CNC(=O)[C@H]1CSCCS1 ZINC000261528119 536399656 /nfs/dbraw/zinc/39/96/56/536399656.db2.gz JHBRMJOHYBLHFY-HTQZYQBOSA-N 1 0 234.390 0.559 10 0 BCAERO C[NH2+][C@H](C)CNC(=O)c1ccc(COC)o1 ZINC000261739752 536400312 /nfs/dbraw/zinc/40/03/12/536400312.db2.gz MGPZQEJJQBMZSN-MRVPVSSYSA-N 1 0 226.276 0.764 10 0 BCAERO C[NH2+][C@H](C)CNC(=O)c1cn2ccc(C)cc2n1 ZINC000261820676 536401688 /nfs/dbraw/zinc/40/16/88/536401688.db2.gz UJAOGQGWWYDWNZ-SNVBAGLBSA-N 1 0 246.314 0.980 10 0 BCAERO C[NH2+][C@H](C)CNC(=O)c1cnc2n[nH]c(C)c2c1 ZINC000261658054 536401794 /nfs/dbraw/zinc/40/17/94/536401794.db2.gz FQYNECDKZRGTPQ-SSDOTTSWSA-N 1 0 247.302 0.604 10 0 BCAERO C[NH2+][C@H](C)CNc1ncnc2nc[nH]c21 ZINC000261529821 536404971 /nfs/dbraw/zinc/40/49/71/536404971.db2.gz BMACNNLYRPLUDY-ZCFIWIBFSA-N 1 0 206.253 0.373 10 0 BCAERO C[NH2+][C@H]1CCCN(Cc2ccnc(N(C)C)n2)C1 ZINC000262016432 536413050 /nfs/dbraw/zinc/41/30/50/536413050.db2.gz MSKWYAFWVNDOBY-NSHDSACASA-N 1 0 249.362 0.726 10 0 BCAERO C[NH2+][C@H]1CCCN(Cc2nnc(C3CC3)n2C)C1 ZINC000261793545 536413339 /nfs/dbraw/zinc/41/33/39/536413339.db2.gz QQDYKRDWOKKYTR-NSHDSACASA-N 1 0 249.362 0.876 10 0 BCAERO CO[C@H](C[NH3+])C(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000261541925 536556327 /nfs/dbraw/zinc/55/63/27/536556327.db2.gz MPWGKYIVTJISAK-GMTAPVOTSA-N 1 0 242.319 0.130 10 0 BCAERO CO[C@H](CNC(=O)[C@@H]1CC[C@@H]([NH3+])C1)C(C)C ZINC000262456975 536629277 /nfs/dbraw/zinc/62/92/77/536629277.db2.gz UNVLYRKURQMUPT-GMTAPVOTSA-N 1 0 228.336 0.901 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N1CCC(C)(COC)CC1 ZINC000262300305 536653823 /nfs/dbraw/zinc/65/38/23/536653823.db2.gz NTQRRLQYZCJNIU-SNVBAGLBSA-N 1 0 244.335 0.235 10 0 BCAERO COC[C@@H]([NH3+])C(=O)NCc1ccccc1C ZINC000088003158 536663057 /nfs/dbraw/zinc/66/30/57/536663057.db2.gz LPGJPQUZZCSRHG-LLVKDONJSA-N 1 0 222.288 0.585 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N[C@H](C)Cc1cccs1 ZINC000088003080 536667793 /nfs/dbraw/zinc/66/77/93/536667793.db2.gz MVDZHLPBTXNFJI-PSASIEDQSA-N 1 0 242.344 0.769 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N[C@H]1CC12CCCCC2 ZINC000262220281 536670749 /nfs/dbraw/zinc/67/07/49/536670749.db2.gz FQEVPVQJVNRAKZ-ZJUUUORDSA-N 1 0 226.320 0.799 10 0 BCAERO COC[C@@H]([NH3+])C(=O)Nc1cnccc1OC ZINC000262470520 536674611 /nfs/dbraw/zinc/67/46/11/536674611.db2.gz YGKGXVHSYFUNCA-SSDOTTSWSA-N 1 0 225.248 0.002 10 0 BCAERO CO[C@H]1CCCC[C@H]1NC(=O)[C@H]1CC[NH2+]1 ZINC000261544535 536691282 /nfs/dbraw/zinc/69/12/82/536691282.db2.gz IZASUPWPTPXJTF-BBBLOLIVSA-N 1 0 212.293 0.422 10 0 BCAERO COc1cc(C)nc(N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)n1 ZINC000261580415 536701837 /nfs/dbraw/zinc/70/18/37/536701837.db2.gz QBBJRYQVKAFRDK-HBNTYKKESA-N 1 0 248.330 0.967 10 0 BCAERO CO[C@@H]1CN(C(=O)[C@@H]2CC[C@@H]([NH3+])C2)CC[C@H]1C ZINC000261544706 536723523 /nfs/dbraw/zinc/72/35/23/536723523.db2.gz ZDQXZTZSYBMWDJ-DDHJBXDOSA-N 1 0 240.347 0.997 10 0 BCAERO COC[C@@H](C)C(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000178825402 536863523 /nfs/dbraw/zinc/86/35/23/536863523.db2.gz QEKACXMOSGNMQT-ZJUUUORDSA-N 1 0 228.336 0.855 10 0 BCAERO COC(C)(C)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000171604138 536880537 /nfs/dbraw/zinc/88/05/37/536880537.db2.gz XOHAWQIDOLWQEN-VIFPVBQESA-N 1 0 214.309 0.574 10 0 BCAERO COCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCCN1 ZINC000261997178 536894530 /nfs/dbraw/zinc/89/45/30/536894530.db2.gz UFJQDINCKHKLDK-TUAOUCFPSA-N 1 0 228.336 0.380 10 0 BCAERO COc1ccccc1CNC[C@H]1C[NH2+]C[C@@H]1O ZINC000263296015 537048053 /nfs/dbraw/zinc/04/80/53/537048053.db2.gz WHNVUMCTRCBAKV-RYUDHWBXSA-N 1 0 236.315 0.365 10 0 BCAERO Cn1nccc1-c1cc(=O)[nH]c(C[NH3+])n1 ZINC000725257076 538061072 /nfs/dbraw/zinc/06/10/72/538061072.db2.gz HMXWGAAXYAKLPF-UHFFFAOYSA-N 1 0 205.221 0.041 10 0 BCAERO C[C@@H]1C[C@H]1Cn1nnc(C[NH3+])c1-c1ccnn1C ZINC000725257189 538061303 /nfs/dbraw/zinc/06/13/03/538061303.db2.gz INQWMVSLUOVDRJ-BDAKNGLRSA-N 1 0 246.318 0.793 10 0 BCAERO C[C@@H](C[NH+](C)C)n1nnc(N)c1-c1ccnn1C ZINC000725257347 538064156 /nfs/dbraw/zinc/06/41/56/538064156.db2.gz KXZPNGJHUDLARY-QMMMGPOBSA-N 1 0 249.322 0.383 10 0 BCAERO [NH3+]C[C@@H]1CCNc2nc(C(F)F)nn21 ZINC000307340445 566278644 /nfs/dbraw/zinc/27/86/44/566278644.db2.gz SYCFSTIYQQBUNZ-BYPYZUCNSA-N 1 0 203.196 0.531 10 0 BCAERO CCCCNC(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725258202 566304639 /nfs/dbraw/zinc/30/46/39/566304639.db2.gz KNIIHPJTHJIFAC-UHFFFAOYSA-N 1 0 237.307 0.949 10 0 BCAERO COC(=O)c1cnc(C2CC[NH2+]CC2)o1 ZINC000107253231 566386375 /nfs/dbraw/zinc/38/63/75/566386375.db2.gz AMBDFWHFLZVBJA-UHFFFAOYSA-N 1 0 210.233 0.928 10 0 BCAERO COC(=O)c1cnc([C@@H]2CCC[NH2+]C2)o1 ZINC000107253234 566386525 /nfs/dbraw/zinc/38/65/25/566386525.db2.gz QFRAJAJKEXJWNW-SSDOTTSWSA-N 1 0 210.233 0.928 10 0 BCAERO CC(C)[C@H](C)C(=O)N1C[C@@H]2[C@@H](C[NH3+])[C@@H]2C1 ZINC000675053774 566415666 /nfs/dbraw/zinc/41/56/66/566415666.db2.gz KWYSNJMPULKALS-XWLWVQCSSA-N 1 0 210.321 0.942 10 0 BCAERO COC[C@H](C)n1ncc2c1nc[nH+]c2NN ZINC000669377296 566424055 /nfs/dbraw/zinc/42/40/55/566424055.db2.gz LUTYDWLDDDUXSN-LURJTMIESA-N 1 0 222.252 0.319 10 0 BCAERO CC(C)(O)c1cn([C@@H]2CC[C@H]([NH3+])C2)nn1 ZINC000669380746 566425454 /nfs/dbraw/zinc/42/54/54/566425454.db2.gz VJPAHWKTBWLDPB-JGVFFNPUSA-N 1 0 210.281 0.558 10 0 BCAERO C[C@](CC[NH3+])(NC(=O)[C@@H]1CCOC1)C(F)F ZINC000669380662 566425643 /nfs/dbraw/zinc/42/56/43/566425643.db2.gz OYWAJLPORAEACP-GMSGAONNSA-N 1 0 236.262 0.512 10 0 BCAERO CCCC(=O)N[C@@]1(CO)CCC[NH2+]C1 ZINC000669384977 566427723 /nfs/dbraw/zinc/42/77/23/566427723.db2.gz QRZGPVKJMDJUCJ-JTQLQIEISA-N 1 0 200.282 0.017 10 0 BCAERO c1cncc([C@H]2CCNC3=[NH+]CCN32)c1 ZINC000232480282 566490995 /nfs/dbraw/zinc/49/09/95/566490995.db2.gz DNOBTSDBRROAIM-SNVBAGLBSA-N 1 0 202.261 0.788 10 0 BCAERO CC(C)CC(=O)NC[C@@H]1OC(=O)CC12C[NH2+]C2 ZINC000725263379 566308779 /nfs/dbraw/zinc/30/87/79/566308779.db2.gz USCOIRRJFYOZGC-VIFPVBQESA-N 1 0 240.303 0.054 10 0 BCAERO CCCCCC[C@H]1[NH2+]C[C@@H](O)[C@H](O)[C@H]1O ZINC000049070593 581096749 /nfs/dbraw/zinc/09/67/49/581096749.db2.gz JVCIUBNETYXXOR-ZNSHCXBVSA-N 1 0 217.309 0.011 10 0 in-vivo BCAERO CC(C)[NH+]1CCN(C(=O)[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000111264130 588738312 /nfs/dbraw/zinc/73/83/12/588738312.db2.gz IMGASPBVXRGOHY-VXGBXAGGSA-N 1 0 239.363 0.395 10 0 BCAERO CC(C)[C@H]([NH2+]Cc1cccnc1)C(N)=O ZINC000107323159 582459726 /nfs/dbraw/zinc/45/97/26/582459726.db2.gz DKEPRHDTGFWDFC-JTQLQIEISA-N 1 0 207.277 0.681 10 0 BCAERO COC(=O)c1cc(C[NH3+])n2c1COCC2 ZINC000757120652 582496526 /nfs/dbraw/zinc/49/65/26/582496526.db2.gz DIXJQWXWKIXFBF-UHFFFAOYSA-N 1 0 210.233 0.264 10 0 BCAERO COC[C@@H](O)c1nc(C)c(CC[NH3+])s1 ZINC000757126889 582501113 /nfs/dbraw/zinc/50/11/13/582501113.db2.gz HRBVARZKTJZWAU-SSDOTTSWSA-N 1 0 216.306 0.633 10 0 BCAERO CC[C@@H]1[NH2+]C[C@]2(COCCN2C)CO1 ZINC000757138832 582518431 /nfs/dbraw/zinc/51/84/31/582518431.db2.gz DVAKLWQRFIZMDY-ZJUUUORDSA-N 1 0 200.282 0.043 10 0 BCAERO CC(C)n1ncnc1CN1CC[C@@H]1C[NH3+] ZINC000757141413 582521869 /nfs/dbraw/zinc/52/18/69/582521869.db2.gz CZOHSQIECHIDIG-SECBINFHSA-N 1 0 209.297 0.392 10 0 BCAERO CC(C)n1ncnc1CN1CC[C@H]1C[NH3+] ZINC000757141414 582522105 /nfs/dbraw/zinc/52/21/05/582522105.db2.gz CZOHSQIECHIDIG-VIFPVBQESA-N 1 0 209.297 0.392 10 0 BCAERO CN1CCOC[C@]12C[NH2+][C@@]1(CCSC1)OC2 ZINC000757144305 582524837 /nfs/dbraw/zinc/52/48/37/582524837.db2.gz NQHNILOGKOCRTR-QWRGUYRKSA-N 1 0 244.360 0.140 10 0 BCAERO CN1CCOC[C@]12C[NH2+][C@]1(CCSC1)OC2 ZINC000757144309 582525084 /nfs/dbraw/zinc/52/50/84/582525084.db2.gz NQHNILOGKOCRTR-WDEREUQCSA-N 1 0 244.360 0.140 10 0 BCAERO CC1(C)C[C@@]2(CO1)[NH2+]CC1(COC1)CO2 ZINC000757144832 582525830 /nfs/dbraw/zinc/52/58/30/582525830.db2.gz PJRWNXDGZUWLPW-LLVKDONJSA-N 1 0 213.277 0.518 10 0 BCAERO [NH3+]C[C@H]1CCN1c1ncnc2c1CCC2 ZINC000757145497 582528023 /nfs/dbraw/zinc/52/80/23/582528023.db2.gz LUERWUDZALQULF-MRVPVSSYSA-N 1 0 204.277 0.503 10 0 BCAERO CCOc1ccnc(N2CC[C@H]2C[NH3+])n1 ZINC000757146161 582529348 /nfs/dbraw/zinc/52/93/48/582529348.db2.gz NOYCSNQWXAMHBT-QMMMGPOBSA-N 1 0 208.265 0.413 10 0 BCAERO [NH3+]C[C@@H]1CCN1CC1=CSC2=NCCN12 ZINC000757147574 582531841 /nfs/dbraw/zinc/53/18/41/582531841.db2.gz QKLXRHYLWFIWFQ-QMMMGPOBSA-N 1 0 224.333 0.279 10 0 BCAERO C1CCC2(C1)[NH2+]C[C@@]1(COCCN1)CO2 ZINC000757148244 582532232 /nfs/dbraw/zinc/53/22/32/582532232.db2.gz TXNKJSPSBUWZDQ-SNVBAGLBSA-N 1 0 212.293 0.235 10 0 BCAERO NC(=O)[C@@H]1CCN1[C@@H](C[NH3+])c1cccs1 ZINC000757148033 582532275 /nfs/dbraw/zinc/53/22/75/582532275.db2.gz VURGMGVJAACHBI-YUMQZZPRSA-N 1 0 225.317 0.308 10 0 BCAERO C1C[C@@]2(CO1)CC[NH2+][C@]1(CN3CCC1CC3)O2 ZINC000757149911 582533694 /nfs/dbraw/zinc/53/36/94/582533694.db2.gz WMKFPKQHPRMPEB-CHWSQXEVSA-N 1 0 238.331 0.577 10 0 BCAERO [NH3+][C@@H](CS(=O)(=O)N1CCC1)c1ccccc1 ZINC000757150572 582535053 /nfs/dbraw/zinc/53/50/53/582535053.db2.gz FQTPALJHBPLUQQ-NSHDSACASA-N 1 0 240.328 0.722 10 0 BCAERO CC1(C)C[C@@H](N2CC[C@@H]2C(N)=O)CC[NH2+]1 ZINC000757163243 582544744 /nfs/dbraw/zinc/54/47/44/582544744.db2.gz ZAZZPTUXLAJCNF-DTWKUNHWSA-N 1 0 211.309 0.077 10 0 BCAERO CC(C)(C)OC(=O)N[C@H]1CC(=O)C12C[NH2+]C2 ZINC000757168632 582549332 /nfs/dbraw/zinc/54/93/32/582549332.db2.gz JXEBLPUHQAHTLF-ZETCQYMHSA-N 1 0 226.276 0.442 10 0 BCAERO C1C[NH2+]C[C@H](c2[nH]nc3c2C[NH2+]CC3)C1 ZINC000757168416 582549407 /nfs/dbraw/zinc/54/94/07/582549407.db2.gz DQKRGGGYNSCPBB-MRVPVSSYSA-N 1 0 206.293 0.522 10 0 BCAERO COC(=O)[C@@H]1C[NH2+]CC12CCSCC2 ZINC000757186454 582555249 /nfs/dbraw/zinc/55/52/49/582555249.db2.gz XZKSXYHAIFRJMG-QMMMGPOBSA-N 1 0 215.318 0.892 10 0 BCAERO N[C@@H]1C[NH2+]C[C@H](c2cccc(C=O)c2)C1 ZINC000757217858 582561993 /nfs/dbraw/zinc/56/19/93/582561993.db2.gz SXRGNYSMKJACMN-NEPJUHHUSA-N 1 0 204.273 0.903 10 0 BCAERO O=C([O-])[C@@H]1CCC[NH2+][C@@H]1C1CC[NH2+]CC1 ZINC000757218613 582562098 /nfs/dbraw/zinc/56/20/98/582562098.db2.gz VHJUSKMWADMQRW-NXEZZACHSA-N 1 0 212.293 0.439 10 0 BCAERO C[C@@H]1C[C@@H](C)n2nc(CCC[NH3+])nc2N1 ZINC000235377495 582570182 /nfs/dbraw/zinc/57/01/82/582570182.db2.gz FRJULXFQTXGVOQ-HTQZYQBOSA-N 1 0 209.297 0.935 10 0 BCAERO Cc1ccc(C[NH2+]C[C@H]2CCC(=O)N2)o1 ZINC000070627949 582599052 /nfs/dbraw/zinc/59/90/52/582599052.db2.gz AJXFWLYVKLXTJZ-SECBINFHSA-N 1 0 208.261 0.956 10 0 BCAERO C[C@H]1CN2C(=[NH+]CC[C@H]2c2cnn(C)c2)N1 ZINC000235695561 582603299 /nfs/dbraw/zinc/60/32/99/582603299.db2.gz SRNMQSRSECVYMJ-WPRPVWTQSA-N 1 0 219.292 0.515 10 0 BCAERO [NH3+]C[C@H]1CCNc2nc(C(F)(F)F)nn21 ZINC000236187902 582640846 /nfs/dbraw/zinc/64/08/46/582640846.db2.gz MPNDYIKDUGUGFH-SCSAIBSYSA-N 1 0 221.186 0.612 10 0 BCAERO Fc1ccc([C@@H]2CCNC3=[NH+]CCN32)nc1 ZINC000236200077 582641174 /nfs/dbraw/zinc/64/11/74/582641174.db2.gz WQDPCLSBHQHSGF-JTQLQIEISA-N 1 0 220.251 0.927 10 0 BCAERO [NH3+]Cc1ccnc2nc([C@H]3CCCO3)nn21 ZINC000236212724 582641397 /nfs/dbraw/zinc/64/13/97/582641397.db2.gz TZTBVBIZQYRNEL-MRVPVSSYSA-N 1 0 219.248 0.435 10 0 BCAERO [NH3+]Cc1ccnc2nc([C@H]3CCOC3)nn21 ZINC000236212811 582641820 /nfs/dbraw/zinc/64/18/20/582641820.db2.gz BIGSDOQACNPQOL-ZETCQYMHSA-N 1 0 219.248 0.087 10 0 BCAERO [NH3+]C[C@@H]1CCNc2nc([C@H]3CCOC3)nn21 ZINC000236227396 582642401 /nfs/dbraw/zinc/64/24/01/582642401.db2.gz DZAAEWABONEISL-YUMQZZPRSA-N 1 0 223.280 0.097 10 0 BCAERO [NH3+]C[C@@H]1CCNc2nc([C@@H]3CCOC3)nn21 ZINC000236227210 582642403 /nfs/dbraw/zinc/64/24/03/582642403.db2.gz DZAAEWABONEISL-SFYZADRCSA-N 1 0 223.280 0.097 10 0 BCAERO COCCN(CC[NH3+])C(=O)C1(C)CC1 ZINC000379609216 582682871 /nfs/dbraw/zinc/68/28/71/582682871.db2.gz SAHFDWBZXIXRMB-UHFFFAOYSA-N 1 0 200.282 0.220 10 0 BCAERO C[C@@H]1C[NH+](CC2(CO)COC2)C[C@@H](C)O1 ZINC000304851687 582798080 /nfs/dbraw/zinc/79/80/80/582798080.db2.gz XVMVTUHVKJTFJD-NXEZZACHSA-N 1 0 215.293 0.105 10 0 BCAERO [NH3+]CC1(C(=O)N[C@H]2C=CCC2)CCOCC1 ZINC000829347188 582857001 /nfs/dbraw/zinc/85/70/01/582857001.db2.gz JECLWRFASGQRLI-JTQLQIEISA-N 1 0 224.304 0.577 10 0 BCAERO C[NH2+][C@H](Cn1ccnc1C(C)C)C(N)=O ZINC000045430459 582877999 /nfs/dbraw/zinc/87/79/99/582877999.db2.gz QCKJNHRLAKCZPC-MRVPVSSYSA-N 1 0 210.281 0.080 10 0 BCAERO CC[NH2+][C@@](C)(Cn1cc(Cl)cn1)C(N)=O ZINC000045436913 582879946 /nfs/dbraw/zinc/87/99/46/582879946.db2.gz UHHJGDBGYXZTKR-VIFPVBQESA-N 1 0 230.699 0.390 10 0 BCAERO CC1(C)CCC(C(N)=O)(N2CC[NH2+]CC2)CC1 ZINC000079656402 582901064 /nfs/dbraw/zinc/90/10/64/582901064.db2.gz JQZJHVZXTRLEMB-UHFFFAOYSA-N 1 0 239.363 0.716 10 0 BCAERO C[C@H](C(=O)NC(C)(C)C)n1cc[nH+]c1N ZINC000702467258 582926327 /nfs/dbraw/zinc/92/63/27/582926327.db2.gz TURBOCIAODUJRO-SSDOTTSWSA-N 1 0 210.281 0.941 10 0 BCAERO Nc1[nH+]ccn1CC(=O)NC1CCCC1 ZINC000702458561 582926749 /nfs/dbraw/zinc/92/67/49/582926749.db2.gz CAOLSNNLCHRMHY-UHFFFAOYSA-N 1 0 208.265 0.524 10 0 BCAERO C[C@H]1OCC[C@@H]1NC(=O)N(C)C1CC([NH3+])C1 ZINC000334953937 582937382 /nfs/dbraw/zinc/93/73/82/582937382.db2.gz WINJEVXPYNQHTC-WOOKNIGNSA-N 1 0 227.308 0.295 10 0 BCAERO CCC(F)(F)C(=O)N1CCC[C@H]1C[NH3+] ZINC000205326290 583395327 /nfs/dbraw/zinc/39/53/27/583395327.db2.gz AQWUHNUSDVWUMC-ZETCQYMHSA-N 1 0 206.236 0.981 10 0 BCAERO CC(C)(C)OC(=O)N1CC[C@@H](O)C[C@H]1C[NH3+] ZINC000141407340 583568943 /nfs/dbraw/zinc/56/89/43/583568943.db2.gz UWRWAOPMGWXBKY-DTWKUNHWSA-N 1 0 230.308 0.706 10 0 BCAERO CC(C)CC(=O)NC1CCN(CC[NH3+])CC1 ZINC000082491367 583801008 /nfs/dbraw/zinc/80/10/08/583801008.db2.gz QBYFYVMKBNXVBW-UHFFFAOYSA-N 1 0 227.352 0.572 10 0 BCAERO [NH3+]CCN1CCC(NC(=O)C2CCC2)CC1 ZINC000082491373 583801099 /nfs/dbraw/zinc/80/10/99/583801099.db2.gz YVTDPVMVINNXIP-UHFFFAOYSA-N 1 0 225.336 0.326 10 0 BCAERO CC(C)(C)NC(=O)N1C[C@@H]2[C@@H](C[NH3+])[C@@H]2C1 ZINC000675053812 583928229 /nfs/dbraw/zinc/92/82/29/583928229.db2.gz LYOSFPLFVQZTMK-PSVAKVPMSA-N 1 0 211.309 0.631 10 0 BCAERO CO[C@@H](C)[C@H](O)c1nc(CC[NH3+])cs1 ZINC000757127553 586425870 /nfs/dbraw/zinc/42/58/70/586425870.db2.gz JEUACHWHGLODTA-XPUUQOCRSA-N 1 0 216.306 0.713 10 0 BCAERO C[NH2+]Cc1sc([C@@H](O)COC)nc1C ZINC000757132456 586426188 /nfs/dbraw/zinc/42/61/88/586426188.db2.gz TWVHXQFYLRXNJY-ZETCQYMHSA-N 1 0 216.306 0.851 10 0 BCAERO CCN(CC)S(=O)(=O)C[C@@H]([NH3+])C1CC1 ZINC000757153289 586429273 /nfs/dbraw/zinc/42/92/73/586429273.db2.gz OIODKNYWIUEULX-SECBINFHSA-N 1 0 220.338 0.395 10 0 BCAERO CCCC[C@@H]([NH3+])CS(=O)(=O)N(C)CC ZINC000757154107 586429501 /nfs/dbraw/zinc/42/95/01/586429501.db2.gz WHPNEZXCRKQWJB-SECBINFHSA-N 1 0 222.354 0.785 10 0 BCAERO CC(C)(C)[C@H]([NH3+])CS(=O)(=O)N1CCCC1 ZINC000757152487 586429667 /nfs/dbraw/zinc/42/96/67/586429667.db2.gz XRBYKAVNIQFOSP-SECBINFHSA-N 1 0 234.365 0.785 10 0 BCAERO CC(C)(C)OC(=O)N[C@@H]1C[C@H](O)C12C[NH2+]C2 ZINC000757168358 586432416 /nfs/dbraw/zinc/43/24/16/586432416.db2.gz CZMQIEKUJUCUFG-SFYZADRCSA-N 1 0 228.292 0.234 10 0 BCAERO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1c1ncnn1CC ZINC000757189256 586434974 /nfs/dbraw/zinc/43/49/74/586434974.db2.gz MWGXZVVUOKZZMV-RKDXNWHRSA-N 1 0 238.291 0.164 10 0 BCAERO COC(=O)[C@H](C[NH3+])[C@H]1COC(C)(C)C1 ZINC000757190971 586435618 /nfs/dbraw/zinc/43/56/18/586435618.db2.gz HFZRLELEHPUIFX-HTQZYQBOSA-N 1 0 201.266 0.549 10 0 BCAERO [NH3+][C@H]1CC[NH2+]C[C@@H]1c1ccc(C(=O)[O-])cc1 ZINC000757208997 586436896 /nfs/dbraw/zinc/43/68/96/586436896.db2.gz BQZAKUKNPBPDHE-MNOVXSKESA-N 1 0 220.272 0.789 10 0 BCAERO C[C@@H]1C[C@H](C)[C@H](C[NH3+])[C@H](c2cnnn2C)N1 ZINC000757209950 586437011 /nfs/dbraw/zinc/43/70/11/586437011.db2.gz GREBRAXKBAXTBP-QCBRBAQYSA-N 1 0 223.324 0.449 10 0 BCAERO O=C([O-])[C@@H]1[NH2+]CCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000757209457 586438371 /nfs/dbraw/zinc/43/83/71/586438371.db2.gz FEZGUBQYCQHDTL-LPEHRKFASA-N 1 0 212.293 0.439 10 0 BCAERO CCn1cc([C@@H]2CC[C@@H](CN)[NH2+]C2)cn1 ZINC000757227318 586442556 /nfs/dbraw/zinc/44/25/56/586442556.db2.gz BMFYLFDZZXRANZ-KOLCDFICSA-N 1 0 208.309 0.697 10 0 BCAERO CCn1cc([C@@H]2NC[C@H](C)C[C@@H]2[NH3+])cn1 ZINC000757235793 586443565 /nfs/dbraw/zinc/44/35/65/586443565.db2.gz MTGUWQZLEAVQMW-MIMYLULJSA-N 1 0 208.309 0.901 10 0 BCAERO CCn1cc([C@@H]2NC[C@@H](C)C[C@H]2[NH3+])cn1 ZINC000757235781 586443755 /nfs/dbraw/zinc/44/37/55/586443755.db2.gz MTGUWQZLEAVQMW-GDPRMGEGSA-N 1 0 208.309 0.901 10 0 BCAERO C[C@@H]1C[C@H]([C@@H]2CCC[C@H](C(=O)[O-])[NH2+]2)CC[NH2+]1 ZINC000757237596 586443951 /nfs/dbraw/zinc/44/39/51/586443951.db2.gz QKPJJJWLWGQREO-CHWFTXMASA-N 1 0 226.320 0.970 10 0 BCAERO CCCCCn1nnc2c1nc[nH+]c2NN ZINC000757570861 586462766 /nfs/dbraw/zinc/46/27/66/586462766.db2.gz ZIUNUOJAKVSWLO-UHFFFAOYSA-N 1 0 221.268 0.697 10 0 BCAERO CC[C@@](C)(O)C[N@@H+]1CCCC2(C1)OCCO2 ZINC000119387061 589276173 /nfs/dbraw/zinc/27/61/73/589276173.db2.gz BTHJIGUCKMSSNG-LLVKDONJSA-N 1 0 229.320 0.986 10 0 BCAERO Cc1nn(C)c(Cl)c1Cn1cc(C[NH3+])nn1 ZINC000122898275 589643335 /nfs/dbraw/zinc/64/33/35/589643335.db2.gz PGHWPXNJZILSMK-UHFFFAOYSA-N 1 0 240.698 0.480 10 0 BCAERO C[C@H](O)CCNC(=O)C[C@H]([NH3+])C1CC1 ZINC000124081518 589938809 /nfs/dbraw/zinc/93/88/09/589938809.db2.gz AOVPMJDHXDQTBH-CBAPKCEASA-N 1 0 200.282 0.001 10 0 BCAERO COc1c(C[NH2+]CC[S@@](C)=O)c(C)nn1C ZINC000124192804 589959357 /nfs/dbraw/zinc/95/93/57/589959357.db2.gz AWRZXIPCJLXAKQ-INIZCTEOSA-N 1 0 245.348 0.205 10 0 BCAERO COc1cc(C)nc(N2CC[C@@H]([C@@H](C)[NH3+])C2)n1 ZINC000127245401 590600172 /nfs/dbraw/zinc/60/01/72/590600172.db2.gz ZRHNPRYUZRQUDH-NXEZZACHSA-N 1 0 236.319 0.967 10 0 BCAERO NC(=O)C[C@@]1([NH3+])CCN(Cc2ccccc2)C1 ZINC000211512053 591179523 /nfs/dbraw/zinc/17/95/23/591179523.db2.gz JVSAROBXPSFJKU-ZDUSSCGKSA-N 1 0 233.315 0.465 10 0 BCAERO COC[C@H]([NH3+])C(=O)Nc1cc(C(C)C)[nH]n1 ZINC000129147133 591259979 /nfs/dbraw/zinc/25/99/79/591259979.db2.gz JZXWKTANKAZNQI-ZETCQYMHSA-N 1 0 226.280 0.445 10 0 BCAERO [NH3+][C@H](C(=O)NC[C@H]1CCC[C@H]1O)c1ccccc1 ZINC000129441126 591300120 /nfs/dbraw/zinc/30/01/20/591300120.db2.gz MZZITIYTNPEZOE-UPJWGTAASA-N 1 0 248.326 0.964 10 0 BCAERO CSCC(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000129450425 591301446 /nfs/dbraw/zinc/30/14/46/591301446.db2.gz AHRHHFVELSNUJS-YUMQZZPRSA-N 1 0 202.323 0.606 10 0 BCAERO [NH3+][C@H](CC(=O)N[C@@H]1CCCOC1)C1CC1 ZINC000129880483 591414759 /nfs/dbraw/zinc/41/47/59/591414759.db2.gz WCZGLVACVBHMTN-NXEZZACHSA-N 1 0 212.293 0.409 10 0 BCAERO C[NH+](C)[C@H]1CCN(C(=O)C[C@H]([NH3+])C2CC2)C1 ZINC000129874893 591414926 /nfs/dbraw/zinc/41/49/26/591414926.db2.gz DPLJNAZCGOWXPJ-QWRGUYRKSA-N 1 0 225.336 0.276 10 0 BCAERO COc1nc(C)nc(N(C)C[C@@H](C)[NH3+])c1C ZINC000212605921 591417963 /nfs/dbraw/zinc/41/79/63/591417963.db2.gz SRLIXADHBICKLU-SSDOTTSWSA-N 1 0 224.308 0.885 10 0 BCAERO C[NH+](C)[C@H]1CCCN(C(=O)n2ccnc2)C1 ZINC000130043376 591433130 /nfs/dbraw/zinc/43/31/30/591433130.db2.gz LUQLDDGYAMJYPS-JTQLQIEISA-N 1 0 222.292 0.877 10 0 BCAERO CC(C)(C)[C@H](O)C[NH2+][C@@H]1CCCS(=O)(=O)C1 ZINC000132175226 591692103 /nfs/dbraw/zinc/69/21/03/591692103.db2.gz PMWVAIWWDAABIY-NXEZZACHSA-N 1 0 249.376 0.560 10 0 BCAERO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)c1ccnnc1 ZINC000132422655 591708984 /nfs/dbraw/zinc/70/89/84/591708984.db2.gz LZNSXZNCOXMWSS-SCZZXKLOSA-N 1 0 220.276 0.334 10 0 BCAERO CC(C)OC[C@H](O)C[NH2+][C@H]1CCCC[C@@H]1CO ZINC000132442618 591709870 /nfs/dbraw/zinc/70/98/70/591709870.db2.gz ZBACDBKDJQFWSA-UPJWGTAASA-N 1 0 245.363 0.913 10 0 BCAERO CCc1cc(CC)n(CC[C@@H]([NH3+])C(N)=O)n1 ZINC000132541757 591718619 /nfs/dbraw/zinc/71/86/19/591718619.db2.gz YWOIXCCRXJYJQI-SNVBAGLBSA-N 1 0 224.308 0.211 10 0 BCAERO Cc1ccc(C[NH2+][C@H]2CCCNC2=O)cn1 ZINC000133298607 591784535 /nfs/dbraw/zinc/78/45/35/591784535.db2.gz UQSGDIACXAAKGY-NSHDSACASA-N 1 0 219.288 0.758 10 0 BCAERO O=C(NOCC(F)(F)F)[C@H]1CCC[NH2+]C1 ZINC000133823538 591862144 /nfs/dbraw/zinc/86/21/44/591862144.db2.gz HSMBIKIVTXIYPH-LURJTMIESA-N 1 0 226.198 0.596 10 0 BCAERO [NH3+]C[C@H]1CCC[C@@H]1C(=O)NOCC(F)(F)F ZINC000133910179 591869077 /nfs/dbraw/zinc/86/90/77/591869077.db2.gz XMNDROBGCADEQO-RQJHMYQMSA-N 1 0 240.225 0.972 10 0 BCAERO COc1c(CNCCC[NH+](C)C)c(C)nn1C ZINC000134089372 591886431 /nfs/dbraw/zinc/88/64/31/591886431.db2.gz LKEOEEMVXXKBBY-UHFFFAOYSA-N 1 0 240.351 0.778 10 0 BCAERO C[C@@H]1OCC[C@@H]1NC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000134258368 591907353 /nfs/dbraw/zinc/90/73/53/591907353.db2.gz DQDKYPDHLBEZBB-JXUBOQSCSA-N 1 0 212.293 0.407 10 0 BCAERO C[C@@H]1OCC[C@@H]1NC(=O)CCCCC[NH3+] ZINC000134259721 591907880 /nfs/dbraw/zinc/90/78/80/591907880.db2.gz LGXXCOYGLLKINQ-UWVGGRQHSA-N 1 0 214.309 0.799 10 0 BCAERO C[C@@H]1OCC[C@H]1NC(=O)[C@@H]([NH3+])C(C)(C)C ZINC000134258779 591908041 /nfs/dbraw/zinc/90/80/41/591908041.db2.gz GEFLNVCIFIXSQR-DJLDLDEBSA-N 1 0 214.309 0.653 10 0 BCAERO COCC[NH2+]CCNc1cc(C)nc(C)n1 ZINC000215511316 591948694 /nfs/dbraw/zinc/94/86/94/591948694.db2.gz YQSKGVUFUMCNPD-UHFFFAOYSA-N 1 0 224.308 0.741 10 0 BCAERO COCC[NH2+]CCNc1ncc(Cl)cn1 ZINC000215505438 591949253 /nfs/dbraw/zinc/94/92/53/591949253.db2.gz OZZUUGSVLQTMBX-UHFFFAOYSA-N 1 0 230.699 0.778 10 0 BCAERO C[C@@H]1C[C@H](C[NH3+])CN1c1ccnc(N(C)C)n1 ZINC000216154181 592011607 /nfs/dbraw/zinc/01/16/07/592011607.db2.gz SERSCWAWPJPKQL-NXEZZACHSA-N 1 0 235.335 0.716 10 0 BCAERO CCOC(=O)[C@@H](C)NC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000136180754 592100632 /nfs/dbraw/zinc/10/06/32/592100632.db2.gz LPIMNQHAYWRWQP-BXKDBHETSA-N 1 0 242.319 0.586 10 0 BCAERO CO[C@@H]1CCN(C(=O)[C@@H]2CCC[C@H]2C[NH3+])C1 ZINC000300042098 592501551 /nfs/dbraw/zinc/50/15/51/592501551.db2.gz NEHAQAJGWAABQX-HBNTYKKESA-N 1 0 226.320 0.609 10 0 BCAERO Cc1cnn(CCNC(=O)[C@H]([NH3+])CC2CC2)c1 ZINC000302706909 592552377 /nfs/dbraw/zinc/55/23/77/592552377.db2.gz XFGWUQMUVPHYJV-LLVKDONJSA-N 1 0 236.319 0.435 10 0 BCAERO CC[C@@H]1C[NH+](CC[C@@H](N)C(N)=O)C[C@@H](CC)O1 ZINC000398503769 634380959 /nfs/dbraw/zinc/38/09/59/634380959.db2.gz AVNAQSPKARBILM-GMTAPVOTSA-N 1 0 243.351 0.079 10 0 BCAERO C[C@H](NC(=O)[C@H]1CCC[C@@H]1C[NH3+])c1nc[nH]n1 ZINC000227433766 634542015 /nfs/dbraw/zinc/54/20/15/634542015.db2.gz TUOCCWZEUQPJEN-YIZRAAEISA-N 1 0 237.307 0.357 10 0 BCAERO Cc1ccc(O)c(C[NH2+][C@@H](C)[C@H](C)O)n1 ZINC000336752494 635258125 /nfs/dbraw/zinc/25/81/25/635258125.db2.gz GXSQEOYGSZCCBK-IUCAKERBSA-N 1 0 210.277 0.955 10 0 BCAERO COC(=O)[C@H]1C[N@H+](CCC(C)(C)O)C[C@H]1C ZINC000094996447 635402194 /nfs/dbraw/zinc/40/21/94/635402194.db2.gz ABSWQTLRJAWSFJ-ZJUUUORDSA-N 1 0 229.320 0.888 10 0 BCAERO COC(=O)[C@H]1C[N@H+](CCCCCO)C[C@@H]1C ZINC000094996644 635404166 /nfs/dbraw/zinc/40/41/66/635404166.db2.gz XPYRXUFBXGOPLU-QWRGUYRKSA-N 1 0 229.320 0.890 10 0 BCAERO CC(C)[C@@H]([NH3+])CC(=O)NC[C@@H](O)C(F)(F)F ZINC000225810089 635418488 /nfs/dbraw/zinc/41/84/88/635418488.db2.gz BFEPAGXRUDGSNF-NKWVEPMBSA-N 1 0 242.241 0.399 10 0 BCAERO Cn1ccnc(NC[C@@H]2CC[C@H]([NH3+])C2)c1=O ZINC000227641689 635454192 /nfs/dbraw/zinc/45/41/92/635454192.db2.gz GEBJIIRFCHPIES-BDAKNGLRSA-N 1 0 222.292 0.320 10 0 BCAERO [NH3+]C[C@@H]1CCCN1C[C@@H](O)C(F)(F)F ZINC000227705822 635454344 /nfs/dbraw/zinc/45/43/44/635454344.db2.gz INORVSDYYDOVAG-NKWVEPMBSA-N 1 0 212.215 0.333 10 0 BCAERO C[NH2+][C@@H](C)CNC(=O)C1CC(F)(F)C1 ZINC000261529017 635493899 /nfs/dbraw/zinc/49/38/99/635493899.db2.gz ZYUPNHYLLFUXOU-LURJTMIESA-N 1 0 206.236 0.756 10 0 BCAERO CC(C)OC[C@@H](O)CN(C)[C@H]1CC[NH2+]C1 ZINC000250590492 635487053 /nfs/dbraw/zinc/48/70/53/635487053.db2.gz SCPMHSUEJONFGH-QWRGUYRKSA-N 1 0 216.325 0.066 10 0 BCAERO COC(=O)[C@@H]1C[NH2+]C[C@H]1c1cccc(OC)n1 ZINC000234542286 635556391 /nfs/dbraw/zinc/55/63/91/635556391.db2.gz HHNCVIDJJPPGTC-RKDXNWHRSA-N 1 0 236.271 0.566 10 0 BCAERO CO[C@@H]1C[C@@H](CO)[N@H+](C/C=C\Cl)C1 ZINC000308251916 631219417 /nfs/dbraw/zinc/21/94/17/631219417.db2.gz GCGOFHOTYJMASA-NFLJOPSSSA-N 1 0 205.685 0.821 10 0 BCAERO C[C@H]1C[C@@H]1NC(=S)NCC[NH+](C)C ZINC000308257989 631226719 /nfs/dbraw/zinc/22/67/19/631226719.db2.gz LYPPOHQFRVMDFJ-YUMQZZPRSA-N 1 0 201.339 0.421 10 0 BCAERO CC[NH2+][C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O ZINC000214971953 631288913 /nfs/dbraw/zinc/28/89/13/631288913.db2.gz HQFKNUUSTSSIEQ-DTWKUNHWSA-N 1 0 230.308 0.576 10 0 BCAERO C[NH2+]C1(C(=O)NCC[C@H](C)O)CCC1 ZINC000308478223 631357805 /nfs/dbraw/zinc/35/78/05/631357805.db2.gz KGJXCQAFZHWAPJ-QMMMGPOBSA-N 1 0 200.282 0.016 10 0 BCAERO CC(C)OC[C@H](O)CN(C)C[C@@H](C)[NH3+] ZINC000308481524 631391223 /nfs/dbraw/zinc/39/12/23/631391223.db2.gz MQLOTWSYBULUSX-NXEZZACHSA-N 1 0 204.314 0.051 10 0 BCAERO CC(C)OC[C@@H](O)CN(C)C[C@H](C)[NH3+] ZINC000308481526 631392191 /nfs/dbraw/zinc/39/21/91/631392191.db2.gz MQLOTWSYBULUSX-UWVGGRQHSA-N 1 0 204.314 0.051 10 0 BCAERO CN(C[C@@H]1CC[N@H+](C)C1)C(=O)C(F)F ZINC000234371256 631473063 /nfs/dbraw/zinc/47/30/63/631473063.db2.gz HVBGZKBQKXSWCX-SSDOTTSWSA-N 1 0 206.236 0.662 10 0 BCAERO C[NH2+][C@H](C)C(=O)N[C@@H]1CC[C@@H](SC)C1 ZINC000234431618 631521783 /nfs/dbraw/zinc/52/17/83/631521783.db2.gz HHGQSWZDGFBNDN-IWSPIJDZSA-N 1 0 216.350 0.995 10 0 BCAERO C[NH2+][C@@H](C)CNC(=O)[C@@H]1CCCOC1 ZINC000234422192 631513028 /nfs/dbraw/zinc/51/30/28/631513028.db2.gz IIWCAOHIIZQHEK-DTWKUNHWSA-N 1 0 200.282 0.137 10 0 BCAERO C[NH2+][C@@H](C)CNC(=O)[C@@H]1CCCCO1 ZINC000234422015 631513082 /nfs/dbraw/zinc/51/30/82/631513082.db2.gz PIJDYWXJTHGKCZ-IUCAKERBSA-N 1 0 200.282 0.280 10 0 BCAERO C[NH2+][C@H](C)CNC(=O)C[C@H]1CCCCO1 ZINC000234428132 631521197 /nfs/dbraw/zinc/52/11/97/631521197.db2.gz XBRRHFDLASOFOF-NXEZZACHSA-N 1 0 214.309 0.670 10 0 BCAERO C[NH2+][C@H](C)CNC(=O)CC[C@H]1CCCO1 ZINC000234427176 631521211 /nfs/dbraw/zinc/52/12/11/631521211.db2.gz SBQDCDXUTZKYLR-NXEZZACHSA-N 1 0 214.309 0.670 10 0 BCAERO C[NH2+][C@@H](C)CNS(=O)(=O)c1ccccc1C ZINC000234435836 631523469 /nfs/dbraw/zinc/52/34/69/631523469.db2.gz IEARBNWDUSHPJL-JTQLQIEISA-N 1 0 242.344 0.881 10 0 BCAERO CN(C)c1cc(N(C)[C@H]2CC[NH2+]C2)ncn1 ZINC000258615894 631553712 /nfs/dbraw/zinc/55/37/12/631553712.db2.gz COIICKQEQQMYDY-VIFPVBQESA-N 1 0 221.308 0.341 10 0 BCAERO CS(=O)(=O)c1cnn(CC2CC[NH2+]CC2)c1 ZINC000725251638 631644030 /nfs/dbraw/zinc/64/40/30/631644030.db2.gz CWSFIJFLQNJRFB-UHFFFAOYSA-N 1 0 243.332 0.286 10 0 BCAERO C[C@@H]1COCCN1C(=O)[C@H]([NH3+])CC1CC1 ZINC000308854401 631695222 /nfs/dbraw/zinc/69/52/22/631695222.db2.gz NRLXOCWSETWJDK-PSASIEDQSA-N 1 0 212.293 0.361 10 0 BCAERO COC(=O)C(C)(C)CC[NH2+][C@H](C)[C@@H](C)O ZINC000308935010 631748581 /nfs/dbraw/zinc/74/85/81/631748581.db2.gz KNUAMEVNVFTYRT-RKDXNWHRSA-N 1 0 217.309 0.935 10 0 BCAERO C[C@H]([NH2+]C[C@@H]1CNC(=O)O1)[C@@H]1CCCO1 ZINC000308974193 631768798 /nfs/dbraw/zinc/76/87/98/631768798.db2.gz GBOWLDZFHGRDAT-YIZRAAEISA-N 1 0 214.265 0.252 10 0 BCAERO [NH3+][C@H](CC1CC1)C(=O)N[C@@H]1CCCOC1 ZINC000308966405 631770473 /nfs/dbraw/zinc/77/04/73/631770473.db2.gz MQFDQEYTCDHFNA-NXEZZACHSA-N 1 0 212.293 0.409 10 0 BCAERO C[N@@H+]1CC[C@H]2CN(C(=O)C3CC3)C[C@@H]2C1 ZINC000309003608 631797580 /nfs/dbraw/zinc/79/75/80/631797580.db2.gz SQOFCYOTGBQJBO-QWRGUYRKSA-N 1 0 208.305 0.807 10 0 BCAERO C[C@@H](CCO)[NH2+][C@H]1CCCn2ncnc21 ZINC000309010013 631797681 /nfs/dbraw/zinc/79/76/81/631797681.db2.gz RMAVARFXQWOBIC-IUCAKERBSA-N 1 0 210.281 0.474 10 0 BCAERO Cc1c(-c2cnn(CC[NH3+])c2)cnn1C ZINC000309029970 631804506 /nfs/dbraw/zinc/80/45/06/631804506.db2.gz AWNRXFYRNXUMJQ-UHFFFAOYSA-N 1 0 205.265 0.551 10 0 BCAERO O=C(NC[C@H]1CSCCS1)[C@H]1CC[NH2+]C1 ZINC000158192545 631835054 /nfs/dbraw/zinc/83/50/54/631835054.db2.gz BJVGHAPZEOKARU-IUCAKERBSA-N 1 0 246.401 0.561 10 0 BCAERO Cc1ccc(C[NH2+][C@@H]2CCNC2=O)cn1 ZINC000309088412 631875676 /nfs/dbraw/zinc/87/56/76/631875676.db2.gz BHBZIYVRLKHIAW-SNVBAGLBSA-N 1 0 205.261 0.368 10 0 BCAERO C[C@H](NS(=O)(=O)[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000049643371 631900499 /nfs/dbraw/zinc/90/04/99/631900499.db2.gz PQIAEVANPISHAH-WCBMZHEXSA-N 1 0 232.349 0.456 10 0 BCAERO Cn1ncc(C[NH2+]C[C@H]2CCC[C@H]2O)n1 ZINC000309145864 631907652 /nfs/dbraw/zinc/90/76/52/631907652.db2.gz VDHWLQNHFQLKLI-PSASIEDQSA-N 1 0 210.281 0.066 10 0 BCAERO C[C@@H]1[C@@H]([NH3+])CCN1c1ncnc2c1CCC2 ZINC000309209413 631968888 /nfs/dbraw/zinc/96/88/88/631968888.db2.gz NIZZJEPFFXLOBD-SCZZXKLOSA-N 1 0 218.304 0.891 10 0 BCAERO C[C@@H]([NH3+])CN(C)c1cnn(C)c(=O)c1Cl ZINC000308864587 631987928 /nfs/dbraw/zinc/98/79/28/631987928.db2.gz WLHMHCGEGCGLJG-ZCFIWIBFSA-N 1 0 230.699 0.217 10 0 BCAERO C[NH2+]C1(C(=O)N[C@H]2CCC[C@H](O)C2)CCC1 ZINC000309282663 631993735 /nfs/dbraw/zinc/99/37/35/631993735.db2.gz UDSFNDMVUACLMJ-UWVGGRQHSA-N 1 0 226.320 0.548 10 0 BCAERO C[NH2+]CCc1noc(-c2cnsn2)n1 ZINC000308871941 632036661 /nfs/dbraw/zinc/03/66/61/632036661.db2.gz KLLKGUOYMCGLOK-UHFFFAOYSA-N 1 0 211.250 0.350 10 0 BCAERO [NH3+]C1CC(CNC(=O)COc2ccccc2)C1 ZINC000091525380 632053174 /nfs/dbraw/zinc/05/31/74/632053174.db2.gz JCIIIPFTRRPXDZ-UHFFFAOYSA-N 1 0 234.299 0.919 10 0 BCAERO CCN(CC)C(=O)CN[C@H]1CCC[NH2+]CC1 ZINC000161552762 632080371 /nfs/dbraw/zinc/08/03/71/632080371.db2.gz AYSRDMZONSYGEE-NSHDSACASA-N 1 0 227.352 0.587 10 0 BCAERO [NH3+][C@H](CC(=O)N[C@H]1CCC[C@H](O)C1)C1CC1 ZINC000250647159 635699572 /nfs/dbraw/zinc/69/95/72/635699572.db2.gz KKEJVQAMVXDHCT-GARJFASQSA-N 1 0 226.320 0.534 10 0 BCAERO CCN1C[C@@H](C)[C@H]([NH2+]Cc2cncnc2)C1 ZINC000309451261 632098821 /nfs/dbraw/zinc/09/88/21/632098821.db2.gz LFMABRYEBNQHCY-ZYHUDNBSSA-N 1 0 220.320 0.906 10 0 BCAERO COC(=O)c1coc(C[NH2+][C@H](C)[C@@H](C)O)c1 ZINC000309458608 632099201 /nfs/dbraw/zinc/09/92/01/632099201.db2.gz NFPMZPYVRARHNG-HTQZYQBOSA-N 1 0 227.260 0.925 10 0 BCAERO [NH3+][C@H]1CCCN(C(=O)C(F)(F)C(F)F)C1 ZINC000226039830 635734310 /nfs/dbraw/zinc/73/43/10/635734310.db2.gz MBFILOCIJCPWKS-YFKPBYRVSA-N 1 0 228.189 0.837 10 0 BCAERO COC(=O)C[C@@H]([NH2+][C@@H]1CCOC1)C1CC1 ZINC000308930815 632493169 /nfs/dbraw/zinc/49/31/69/632493169.db2.gz JNKSUGXNXZRBDZ-NXEZZACHSA-N 1 0 213.277 0.707 10 0 BCAERO CC(C)Cc1noc([C@@H]2C[C@H](O)C[NH2+]2)n1 ZINC000159080494 632504717 /nfs/dbraw/zinc/50/47/17/632504717.db2.gz GULZUTTVMQWDRU-YUMQZZPRSA-N 1 0 211.265 0.663 10 0 BCAERO C[C@H]([NH3+])CCC(=O)NC[C@H]1CCCC[C@H]1O ZINC000251232524 632544443 /nfs/dbraw/zinc/54/44/43/632544443.db2.gz QQDHAOPOXZJCEM-HBNTYKKESA-N 1 0 228.336 0.781 10 0 BCAERO C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCOC[C@H]1C ZINC000235283694 632606151 /nfs/dbraw/zinc/60/61/51/632606151.db2.gz HPFISEVDZZOEGK-KXUCPTDWSA-N 1 0 212.293 0.232 10 0 BCAERO NC(=O)c1cc(N[C@H]2CCC[C@@H]2C[NH3+])ccn1 ZINC000089105910 632658824 /nfs/dbraw/zinc/65/88/24/632658824.db2.gz MQHGAAFRPXKCLI-SCZZXKLOSA-N 1 0 234.303 0.720 10 0 BCAERO c1cnc(N2CC[C@H]3CC[NH2+][C@H]3C2)nc1 ZINC000309837556 632672625 /nfs/dbraw/zinc/67/26/25/632672625.db2.gz BOOYTUDZNGDDOL-ZJUUUORDSA-N 1 0 204.277 0.665 10 0 BCAERO CC(C)C[C@H](C[NH+](C)C)NCc1cnn(C)n1 ZINC000310138912 632701992 /nfs/dbraw/zinc/70/19/92/632701992.db2.gz JSWYMVSDBRUZME-LLVKDONJSA-N 1 0 239.367 0.881 10 0 BCAERO C[C@H](C[C@@H]1CCC(=O)N1)[NH2+][C@@H]1CCC[C@@H](O)C1 ZINC000310382444 632733963 /nfs/dbraw/zinc/73/39/63/632733963.db2.gz BPULYMMKAQCLOD-WISYIIOYSA-N 1 0 240.347 0.937 10 0 BCAERO COCCOCCC(=O)N[C@H]1CCC[NH2+][C@@H]1C ZINC000193554604 632745848 /nfs/dbraw/zinc/74/58/48/632745848.db2.gz XBWTWQQCNFNZNZ-MNOVXSKESA-N 1 0 244.335 0.296 10 0 BCAERO Cc1cnn(CCN2CCC[C@H]([NH3+])C2)c1 ZINC000235935454 632750168 /nfs/dbraw/zinc/75/01/68/632750168.db2.gz YMYTUQJZSGXGCV-NSHDSACASA-N 1 0 208.309 0.615 10 0 BCAERO CS[C@H](C)C(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000193605284 632757778 /nfs/dbraw/zinc/75/77/78/632757778.db2.gz QGOSLCJRNGOEOS-YIZRAAEISA-N 1 0 216.350 0.995 10 0 BCAERO CC[NH2+][C@](C)(Cn1cnc(C)c1C)C(N)=O ZINC000051928188 632765424 /nfs/dbraw/zinc/76/54/24/632765424.db2.gz INVXYXUWFUSCRK-LLVKDONJSA-N 1 0 224.308 0.353 10 0 BCAERO C[NH2+][C@@](C)(CCn1cnc(C)c1C)C(N)=O ZINC000051928287 632766325 /nfs/dbraw/zinc/76/63/25/632766325.db2.gz GBSBIEYTUOGYLP-NSHDSACASA-N 1 0 224.308 0.353 10 0 BCAERO CCOCCOCC(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000193648753 632770949 /nfs/dbraw/zinc/77/09/49/632770949.db2.gz NAUCDPCCRJXBLD-WDEREUQCSA-N 1 0 244.335 0.296 10 0 BCAERO CC[N@@H+]1CCC[C@@H]1CN(C)CN1CCCC1=O ZINC000177159330 632771575 /nfs/dbraw/zinc/77/15/75/632771575.db2.gz DIYYJFGONQKKSP-GFCCVEGCSA-N 1 0 239.363 0.982 10 0 BCAERO CC[C@H](CO)[NH2+]C[C@H](O)c1cccnc1 ZINC000309204602 632810193 /nfs/dbraw/zinc/81/01/93/632810193.db2.gz RVXJZYMBEUEAGS-MNOVXSKESA-N 1 0 210.277 0.476 10 0 BCAERO Cc1ccnc(NC[C@H]2COCC[NH2+]2)n1 ZINC000235937795 632855786 /nfs/dbraw/zinc/85/57/86/632855786.db2.gz OZPRVHGXDJIUML-VIFPVBQESA-N 1 0 208.265 0.185 10 0 BCAERO Cn1nccc1-c1ccnc(N2CC[NH2+]CC2)n1 ZINC000236094736 632878429 /nfs/dbraw/zinc/87/84/29/632878429.db2.gz KJBRWMSRXDUIPA-UHFFFAOYSA-N 1 0 244.302 0.287 10 0 BCAERO OCCCCCC[N@@H+]1CCOC[C@@H]1CO ZINC000236490825 632950503 /nfs/dbraw/zinc/95/05/03/632950503.db2.gz GRUYUKBZYYMETP-NSHDSACASA-N 1 0 217.309 0.232 10 0 BCAERO COC(=O)c1coc(C[NH2+][C@@H](C)[C@H](C)O)c1 ZINC000309458614 633090633 /nfs/dbraw/zinc/09/06/33/633090633.db2.gz NFPMZPYVRARHNG-YUMQZZPRSA-N 1 0 227.260 0.925 10 0 BCAERO C[C@H](O)[C@H](C)[NH2+]C[C@H](O)CC(F)(F)F ZINC000307935262 633137735 /nfs/dbraw/zinc/13/77/35/633137735.db2.gz DPDTVFIKEKPMPN-LYFYHCNISA-N 1 0 215.215 0.659 10 0 BCAERO CCn1c(C)nnc1C[NH2+][C@@H](CO)C1CC1 ZINC000309520786 633186684 /nfs/dbraw/zinc/18/66/84/633186684.db2.gz ALGKOLXJLUFSOK-JTQLQIEISA-N 1 0 224.308 0.467 10 0 BCAERO [NH3+][C@H](CC1CC1)C(=O)NC[C@@H]1CCC[C@@H]1O ZINC000304328103 635937977 /nfs/dbraw/zinc/93/79/77/635937977.db2.gz HCUSJCRHPYNVEN-AXFHLTTASA-N 1 0 226.320 0.391 10 0 BCAERO CC(F)(F)C(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000306410060 635966731 /nfs/dbraw/zinc/96/67/31/635966731.db2.gz MPTCUIKMDQVHNM-NKWVEPMBSA-N 1 0 206.236 0.885 10 0 BCAERO COC[C@@H](C)[NH2+]CCCNC(=O)C(F)(F)F ZINC000306496356 635967739 /nfs/dbraw/zinc/96/77/39/635967739.db2.gz XLVOYIGRYZXEIC-SSDOTTSWSA-N 1 0 242.241 0.680 10 0 BCAERO C[C@@H]([NH3+])CN(C)c1cn[nH]c(=O)c1Cl ZINC000307749445 635995220 /nfs/dbraw/zinc/99/52/20/635995220.db2.gz GRKBGABMHWQMOW-RXMQYKEDSA-N 1 0 216.672 0.207 10 0 BCAERO CC(C)[C@H](C)NC(=O)CO[C@H]1CCC[NH2+]C1 ZINC000049308748 636058348 /nfs/dbraw/zinc/05/83/48/636058348.db2.gz AZWWDEQUZMSCON-QWRGUYRKSA-N 1 0 228.336 0.916 10 0 BCAERO CC(C)(C)OC(=O)N1CC[C@@H]1C(=[NH2+])NO ZINC000950757594 636081947 /nfs/dbraw/zinc/08/19/47/636081947.db2.gz ZTGKWLYZJNXEJX-ZCFIWIBFSA-N 1 0 215.253 0.952 10 0 BCAERO Cc1nnc(NC[C@@H]2CCC[NH2+]2)nc1C ZINC000158972842 633757222 /nfs/dbraw/zinc/75/72/22/633757222.db2.gz RXUDNOWKXUYSPT-VIFPVBQESA-N 1 0 207.281 0.652 10 0 BCAERO [NH3+][C@@H](CC1CC1)C(=O)N[C@@H]1CCCOC1 ZINC000308966408 633836943 /nfs/dbraw/zinc/83/69/43/633836943.db2.gz MQFDQEYTCDHFNA-ZJUUUORDSA-N 1 0 212.293 0.409 10 0 BCAERO CCN1CCO[C@@H](C[NH2+]Cc2cnc[nH]2)C1 ZINC000122785782 633856786 /nfs/dbraw/zinc/85/67/86/633856786.db2.gz ABNINXXTTCVQKE-NSHDSACASA-N 1 0 224.308 0.220 10 0 BCAERO Cc1noc2ncnc(N(C)C[C@H](C)[NH3+])c12 ZINC000309218099 633866596 /nfs/dbraw/zinc/86/65/96/633866596.db2.gz WHXMTPGLSYPYPS-LURJTMIESA-N 1 0 221.264 0.710 10 0 BCAERO Cc1nonc1CN1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000309275823 633880308 /nfs/dbraw/zinc/88/03/08/633880308.db2.gz DSYPASMOSYZHSQ-IVZWLZJFSA-N 1 0 222.292 0.547 10 0 BCAERO CC(C)(C)C(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000309290360 633882529 /nfs/dbraw/zinc/88/25/29/633882529.db2.gz QADGXUARRLQELL-QMMMGPOBSA-N 1 0 212.293 0.551 10 0 BCAERO CC(C)(CO)[NH2+]C[C@@H](O)Cc1ccccc1 ZINC000309377684 633904020 /nfs/dbraw/zinc/90/40/20/633904020.db2.gz RMGAPIQLAMCZFC-LBPRGKRZSA-N 1 0 223.316 0.951 10 0 BCAERO C[C@@H]([NH2+]C[C@H]1CNC(=O)O1)c1ccnn1C ZINC000309549304 633951477 /nfs/dbraw/zinc/95/14/77/633951477.db2.gz HQVGJUVSQKDLSI-SFYZADRCSA-N 1 0 224.264 0.179 10 0 BCAERO C[C@@H](O)[C@@H](C)[NH2+]Cc1cnc2cnccn12 ZINC000309943004 633967176 /nfs/dbraw/zinc/96/71/76/633967176.db2.gz CITCOKQIGFHOBL-RKDXNWHRSA-N 1 0 220.276 0.588 10 0 BCAERO CCN1CCO[C@H](C[NH2+]Cc2cn[nH]c2)C1 ZINC000309927236 634047009 /nfs/dbraw/zinc/04/70/09/634047009.db2.gz VXAAXHBWRRETJN-LLVKDONJSA-N 1 0 224.308 0.220 10 0 BCAERO CC(C)(C)OC(=O)NCC[C@@H]1COCC[NH2+]1 ZINC000082347449 634216206 /nfs/dbraw/zinc/21/62/06/634216206.db2.gz WRHQUHHNWVGOTR-SECBINFHSA-N 1 0 230.308 0.890 10 0 BCAERO Cc1ccc(NC(=O)[C@@H]([NH3+])CO)c(C)c1 ZINC000220316951 634260869 /nfs/dbraw/zinc/26/08/69/634260869.db2.gz IXWYDWWRPFQLCC-VIFPVBQESA-N 1 0 208.261 0.562 10 0 BCAERO COC[C@@H]([NH3+])C(=O)NC[C@H](C)C(C)(C)C ZINC000162744012 634332674 /nfs/dbraw/zinc/33/26/74/634332674.db2.gz JJOAPXJZWAESJZ-DTWKUNHWSA-N 1 0 216.325 0.759 10 0 BCAERO C([C@H]1CCC[NH2+]1)N1CC[C@@H](N2CCOCC2)C1 ZINC000220563972 635127688 /nfs/dbraw/zinc/12/76/88/635127688.db2.gz OPYPZMJWNFVHMN-CHWSQXEVSA-N 1 0 239.363 0.145 10 0 BCAERO CN(C)c1cc(NC[C@H]2CCC[NH2+]2)ncn1 ZINC000258558439 635169651 /nfs/dbraw/zinc/16/96/51/635169651.db2.gz BJGLVNUPRMSMKO-SECBINFHSA-N 1 0 221.308 0.707 10 0 BCAERO O=C1NCCC[C@H]1[NH2+][C@@H]1CCCc2n[nH]cc21 ZINC000336519783 635171452 /nfs/dbraw/zinc/17/14/52/635171452.db2.gz QBFBSHPXFXKKIQ-MWLCHTKSSA-N 1 0 234.303 0.655 10 0 BCAERO CCOc1ccc(NC(=O)[C@@H]([NH3+])CO)cc1 ZINC000258619004 635177688 /nfs/dbraw/zinc/17/76/88/635177688.db2.gz BYEQNIQFLADVNG-JTQLQIEISA-N 1 0 224.260 0.343 10 0 BCAERO CCN(Cc1ccccc1)C(=O)[C@@H]([NH3+])CO ZINC000258759868 635197199 /nfs/dbraw/zinc/19/71/99/635197199.db2.gz OYPCQUWNDKOCEF-NSHDSACASA-N 1 0 222.288 0.355 10 0 BCAERO C[C@@H](O)[C@@H](C)[NH2+]Cc1cn(C(C)(C)C)nn1 ZINC000336777011 635286808 /nfs/dbraw/zinc/28/68/08/635286808.db2.gz HEAPDBOKDIKDEC-RKDXNWHRSA-N 1 0 226.324 0.892 10 0 BCAERO C[C@@H]1CN(C(=S)NCC[NH+](C)C)C[C@@H](C)O1 ZINC000047582859 635754119 /nfs/dbraw/zinc/75/41/19/635754119.db2.gz UKYAMMAEXPRTIP-NXEZZACHSA-N 1 0 245.392 0.532 10 0 BCAERO COC[C@@H](C)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000237156603 636010059 /nfs/dbraw/zinc/01/00/59/636010059.db2.gz CLSMJAJEPCBMMB-NXEZZACHSA-N 1 0 214.309 0.385 10 0 BCAERO C[N@@H+]1CC[C@]2(CCN(C(=O)n3ccnc3)C2)C1 ZINC000310556441 636266053 /nfs/dbraw/zinc/26/60/53/636266053.db2.gz YNWTUNRTQRCANN-LBPRGKRZSA-N 1 0 234.303 0.879 10 0 BCAERO CCC[C@@H](C(=O)NCC1(C)OCCO1)[NH+](C)C ZINC000179202017 636757850 /nfs/dbraw/zinc/75/78/50/636757850.db2.gz OJOZPASXORDAIJ-JTQLQIEISA-N 1 0 244.335 0.596 10 0 BCAERO C[C@@H]([NH2+]C(C)(C)CO)C(=O)NC1CC1 ZINC000035114333 636791741 /nfs/dbraw/zinc/79/17/41/636791741.db2.gz QSLIZUROWHOPEO-SSDOTTSWSA-N 1 0 200.282 0.014 10 0 BCAERO Cc1cc(NCCN2CCC([NH3+])CC2)nc(C)n1 ZINC000322162183 636810500 /nfs/dbraw/zinc/81/05/00/636810500.db2.gz JUMYPWOCIAFYBB-UHFFFAOYSA-N 1 0 249.362 0.928 10 0 BCAERO C[C@@H]([NH3+])C(=O)NC[C@H]1CCCC[C@H]1O ZINC000082995000 636871052 /nfs/dbraw/zinc/87/10/52/636871052.db2.gz HLHKAFOGVGNKDS-IWSPIJDZSA-N 1 0 200.282 0.001 10 0 BCAERO Nc1cc[nH+]cc1C(=O)N[C@H]1CCCOC1 ZINC000088112830 636897790 /nfs/dbraw/zinc/89/77/90/636897790.db2.gz BRLJBMKMVFVRCG-QMMMGPOBSA-N 1 0 221.260 0.573 10 0 BCAERO C[C@@H]1C[N@@H+]([C@@H]2CCCC[C@H]2O)CCN1C ZINC000226247399 636937671 /nfs/dbraw/zinc/93/76/71/636937671.db2.gz VQIKBDAGQVTTOY-IJLUTSLNSA-N 1 0 212.337 0.926 10 0 BCAERO C[C@@H](NC(=O)[C@@H]1CCOC1)[C@@H]1CCC[NH2+]C1 ZINC000040941924 636948132 /nfs/dbraw/zinc/94/81/32/636948132.db2.gz WGXDARUYZGBLGC-GMTAPVOTSA-N 1 0 226.320 0.527 10 0 BCAERO CCN(c1ncc(F)cn1)[C@H]1CC[NH2+]C1 ZINC000128498759 637080808 /nfs/dbraw/zinc/08/08/08/637080808.db2.gz KYAWVWVNHQWRKF-VIFPVBQESA-N 1 0 210.256 0.804 10 0 BCAERO OCc1cc(N2CCC[C@H]2CO)cc[nH+]1 ZINC000042433398 637244064 /nfs/dbraw/zinc/24/40/64/637244064.db2.gz SKVGNELVJSPRHW-NSHDSACASA-N 1 0 208.261 0.535 10 0 BCAERO [NH3+][C@@H](CO)C(=O)N1CCCc2ccccc21 ZINC000221439737 638452482 /nfs/dbraw/zinc/45/24/82/638452482.db2.gz DWNXZAUJPOCHRY-JTQLQIEISA-N 1 0 220.272 0.285 10 0 BCAERO C[C@@H](O)[C@H](C)[NH2+]C1CCN(C(=O)N(C)C)CC1 ZINC000348334821 639051310 /nfs/dbraw/zinc/05/13/10/639051310.db2.gz PYPZPWYKNOSXKM-VHSXEESVSA-N 1 0 243.351 0.491 10 0 BCAERO CSCC[C@@H]([NH3+])C(=O)N[C@H]1CCC[C@H](O)C1 ZINC000163589624 639251568 /nfs/dbraw/zinc/25/15/68/639251568.db2.gz BFTDBYOAVMVIMK-LPEHRKFASA-N 1 0 246.376 0.487 10 0 BCAERO C[NH+](C)[C@H]1CCN(c2cc(F)ncn2)C1 ZINC000150079927 639298155 /nfs/dbraw/zinc/29/81/55/639298155.db2.gz QNPUKNQSDMFGHI-QMMMGPOBSA-N 1 0 210.256 0.756 10 0 BCAERO C[C@H]1COCCN1C(=O)CCCCC[NH3+] ZINC000035776623 639921645 /nfs/dbraw/zinc/92/16/45/639921645.db2.gz KFSKLJDBUSNWBO-JTQLQIEISA-N 1 0 214.309 0.753 10 0 BCAERO CCCc1nc([C@H]2C[NH2+]CCO2)n(C)n1 ZINC000054697576 640304211 /nfs/dbraw/zinc/30/42/11/640304211.db2.gz YEISITRBPCJUFW-MRVPVSSYSA-N 1 0 210.281 0.429 10 0 BCAERO CO[C@H]1C[NH2+][C@H](c2nc(C(C)C)nn2C)C1 ZINC000054697854 640306094 /nfs/dbraw/zinc/30/60/94/640306094.db2.gz CRJYDZXQWYBBME-BDAKNGLRSA-N 1 0 224.308 0.988 10 0 BCAERO C[C@@H](O)[C@@H]([NH3+])c1nc(-c2cccs2)nn1C ZINC000054699806 640321067 /nfs/dbraw/zinc/32/10/67/640321067.db2.gz SCPGWUICQWREON-HTRCEHHLSA-N 1 0 238.316 0.924 10 0 BCAERO C[NH2+]CCNC(=O)[C@H](CC(C)C)NC(=O)OC ZINC000151246425 640349232 /nfs/dbraw/zinc/34/92/32/640349232.db2.gz WAOSBILXPUGUCO-VIFPVBQESA-N 1 0 245.323 0.093 10 0 BCAERO CC[NH2+]CCNC(=O)[C@H](NC(=O)OC)C(C)C ZINC000151334859 640366768 /nfs/dbraw/zinc/36/67/68/640366768.db2.gz AXWWXXCBJIWJKN-SECBINFHSA-N 1 0 245.323 0.093 10 0 BCAERO CCc1cccc(C)c1NC(=O)[C@@H]([NH3+])CO ZINC000221645549 640413716 /nfs/dbraw/zinc/41/37/16/640413716.db2.gz IVZZOUISPAWWMY-JTQLQIEISA-N 1 0 222.288 0.816 10 0 BCAERO c1cc(C[NH2+][C@@H]2CCc3ncnn3C2)co1 ZINC000163925479 640428900 /nfs/dbraw/zinc/42/89/00/640428900.db2.gz GQEDRGRYNDJGFR-SNVBAGLBSA-N 1 0 218.260 0.976 10 0 BCAERO COc1ccc(C)cc1NC(=O)[C@@H]([NH3+])CO ZINC000221808246 640429426 /nfs/dbraw/zinc/42/94/26/640429426.db2.gz LBWQDFUHYCSJBC-QMMMGPOBSA-N 1 0 224.260 0.262 10 0 BCAERO Cn1ccc(C(=O)N[C@@H]2C[NH+]3CCC2CC3)n1 ZINC000222558426 640493255 /nfs/dbraw/zinc/49/32/55/640493255.db2.gz VMBRZYORVWGYIK-LLVKDONJSA-N 1 0 234.303 0.244 10 0 BCAERO CC[NH2+][C@H](Cn1ccnc1C(C)C)C(N)=O ZINC000045430476 640556922 /nfs/dbraw/zinc/55/69/22/640556922.db2.gz VIDGAIDUZBURGV-SECBINFHSA-N 1 0 224.308 0.470 10 0 BCAERO Cc1nccn1CCCC[C@](C)([NH3+])C(N)=O ZINC000045432499 640557802 /nfs/dbraw/zinc/55/78/02/640557802.db2.gz MVRRQEXLISPETG-NSHDSACASA-N 1 0 224.308 0.565 10 0 BCAERO CCc1c(C)nn(C[C@@](C)([NH3+])C(N)=O)c1C ZINC000045459108 640565014 /nfs/dbraw/zinc/56/50/14/640565014.db2.gz SSHBOUOXHRHRQY-LLVKDONJSA-N 1 0 224.308 0.265 10 0 BCAERO CC[C@H](C)[N@@H+]1C[C@H](O)C[C@@H]1C(=O)OC ZINC000166346081 640628923 /nfs/dbraw/zinc/62/89/23/640628923.db2.gz WYHDVBBWABHGCZ-DJLDLDEBSA-N 1 0 201.266 0.393 10 0 BCAERO COc1cc(C)nc(N(C)C[C@H](C)[NH3+])n1 ZINC000166487762 640643434 /nfs/dbraw/zinc/64/34/34/640643434.db2.gz ULCKHAMNYHMALO-ZETCQYMHSA-N 1 0 210.281 0.577 10 0 BCAERO CCCS(=O)(=O)CC[NH2+]C(C)(C)CO ZINC000225234118 640675089 /nfs/dbraw/zinc/67/50/89/640675089.db2.gz NMBRYXDTHXKMJU-UHFFFAOYSA-N 1 0 223.338 0.172 10 0 BCAERO CC(C)[NH2+]CCC(=O)NC[C@@H](O)C(F)(F)F ZINC000225390392 640689898 /nfs/dbraw/zinc/68/98/98/640689898.db2.gz WETHQRIQKDZFER-SSDOTTSWSA-N 1 0 242.241 0.414 10 0 BCAERO Cc1cnc(-c2noc([C@@H]3CC[NH2+]C3)n2)nc1 ZINC000167223428 640707972 /nfs/dbraw/zinc/70/79/72/640707972.db2.gz IRDYERSPKXEBMV-MRVPVSSYSA-N 1 0 231.259 0.912 10 0 BCAERO CC(C)Cc1nc([C@@H]([NH3+])[C@@H](C)O)n(C)n1 ZINC000054698976 640711227 /nfs/dbraw/zinc/71/12/27/640711227.db2.gz OHWWKZYTDBZECS-APPZFPTMSA-N 1 0 212.297 0.394 10 0 BCAERO CCOC[C@H](O)C[N@@H+]1CCC[C@@H](C(C)=O)C1 ZINC000225863450 640713601 /nfs/dbraw/zinc/71/36/01/640713601.db2.gz BGVZXYSZMDGDQU-VXGBXAGGSA-N 1 0 229.320 0.685 10 0 BCAERO CC(C)OC[C@H](O)CN1[C@H](C)C[NH2+]C[C@@H]1C ZINC000226127225 640733097 /nfs/dbraw/zinc/73/30/97/640733097.db2.gz QCDJVSYNWGTFAM-GRYCIOLGSA-N 1 0 230.352 0.455 10 0 BCAERO CC[C@@H]1CC[NH2+][C@@H](CC(=O)C(=O)OC)C1 ZINC000167561799 640733337 /nfs/dbraw/zinc/73/33/37/640733337.db2.gz JILHGCKRJOBZDQ-RKDXNWHRSA-N 1 0 213.277 0.897 10 0 BCAERO C[C@@H]([NH3+])CC(=O)N1CCC([C@@H](C)O)CC1 ZINC000226333023 640748756 /nfs/dbraw/zinc/74/87/56/640748756.db2.gz PDNKZRAUNZDDBT-RKDXNWHRSA-N 1 0 214.309 0.343 10 0 BCAERO Cn1cc(CCN2CCC[C@H]2C[NH3+])cn1 ZINC000226425214 640762622 /nfs/dbraw/zinc/76/26/22/640762622.db2.gz SCCCIAMZRNHRFD-NSHDSACASA-N 1 0 208.309 0.386 10 0 BCAERO CCN1CCO[C@@H](CNC(=[NH2+])NCC(C)C)C1 ZINC000226758064 640792347 /nfs/dbraw/zinc/79/23/47/640792347.db2.gz WHUCAXXDZCOOFU-NSHDSACASA-N 1 0 242.367 0.477 10 0 BCAERO COC(=O)C(=O)[C@H](C)[C@H]1CCCCC[NH2+]1 ZINC000168398649 640803999 /nfs/dbraw/zinc/80/39/99/640803999.db2.gz LBFSLVRXUGXIAP-RKDXNWHRSA-N 1 0 213.277 0.897 10 0 BCAERO COC(CN1C[C@H](C)[C@H]([NH+](C)C)C1)OC ZINC000227231759 640821148 /nfs/dbraw/zinc/82/11/48/640821148.db2.gz QAIIIWLZVCTJAU-VHSXEESVSA-N 1 0 216.325 0.487 10 0 BCAERO O[C@H](C[N@@H+]1CCN2CCCC[C@@H]2C1)C1CC1 ZINC000227382258 640831404 /nfs/dbraw/zinc/83/14/04/640831404.db2.gz ZESLBAXDSJCKNY-CHWSQXEVSA-N 1 0 224.348 0.927 10 0 BCAERO CC(C)C[C@H](O)CNC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000227430215 640834238 /nfs/dbraw/zinc/83/42/38/640834238.db2.gz VOKOAUYULGEIDJ-WOPDTQHZSA-N 1 0 242.363 0.885 10 0 BCAERO C[NH2+]C[C@@H]1CCCN1C[C@@H](O)COC(C)C ZINC000227727336 640846557 /nfs/dbraw/zinc/84/65/57/640846557.db2.gz ARWUDXXHZAFQNH-NWDGAFQWSA-N 1 0 230.352 0.456 10 0 BCAERO COC(=O)[C@@H]1C[N@H+](CCn2ccnc2)C[C@@H]1C ZINC000227825882 640850216 /nfs/dbraw/zinc/85/02/16/640850216.db2.gz HXPGENWCLDDYAT-WDEREUQCSA-N 1 0 237.303 0.624 10 0 BCAERO CCCCOC[C@@H](O)CN(C)CC[NH2+]C ZINC000227910709 640853341 /nfs/dbraw/zinc/85/33/41/640853341.db2.gz KMXIPAOQJYPCPJ-NSHDSACASA-N 1 0 218.341 0.315 10 0 BCAERO CCCCOC[C@@H](O)C[N@@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000227910422 640853538 /nfs/dbraw/zinc/85/35/38/640853538.db2.gz BKFHEQHVSJSWIK-STQMWFEESA-N 1 0 244.379 0.705 10 0 BCAERO CCCCOC[C@@H](O)CN1CC[NH2+]C[C@@H]1C ZINC000227910294 640853970 /nfs/dbraw/zinc/85/39/70/640853970.db2.gz VJOJHTGGHSFDTH-RYUDHWBXSA-N 1 0 230.352 0.458 10 0 BCAERO CCCCOC[C@H](O)CN(C)[C@@H]1CC[NH2+]C1 ZINC000227910447 640854227 /nfs/dbraw/zinc/85/42/27/640854227.db2.gz YATWVJUVUFETMU-VXGBXAGGSA-N 1 0 230.352 0.458 10 0 BCAERO [NH3+]C1(C(=O)Nc2ccc(F)nc2)CCOCC1 ZINC000229215255 640934825 /nfs/dbraw/zinc/93/48/25/640934825.db2.gz ARXKTJWODJKHOA-UHFFFAOYSA-N 1 0 239.250 0.667 10 0 BCAERO CCOC(=O)/C=C/CN1CC[C@@H]([NH+](C)C)C1 ZINC000087638790 640951403 /nfs/dbraw/zinc/95/14/03/640951403.db2.gz IGTIYWSVJPEIEP-MVIFTORASA-N 1 0 226.320 0.742 10 0 BCAERO CCOC(=O)/C=C/C[NH2+]C(C)(C)CO ZINC000087638403 640953151 /nfs/dbraw/zinc/95/31/51/640953151.db2.gz JMZDHHGPEIAGFF-AATRIKPKSA-N 1 0 201.266 0.466 10 0 BCAERO CN(C)S(=O)(=O)CC12CC[NH+](CC1)CC2 ZINC000675063928 640961623 /nfs/dbraw/zinc/96/16/23/640961623.db2.gz UHFFUVIEBLNCJB-UHFFFAOYSA-N 1 0 232.349 0.364 10 0 BCAERO Cc1cc(N[C@@H]2CCC[NH2+][C@@H]2C)n2ncnc2n1 ZINC000229610298 640968475 /nfs/dbraw/zinc/96/84/75/640968475.db2.gz DLANDGSDDSFMOD-NXEZZACHSA-N 1 0 246.318 0.985 10 0 BCAERO Cn1ncnc1[C@H](C[NH3+])c1ccccc1 ZINC000061609627 640977430 /nfs/dbraw/zinc/97/74/30/640977430.db2.gz CFMKDAFDNZEYQH-SNVBAGLBSA-N 1 0 202.261 0.906 10 0 BCAERO CCS(=O)(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000061883943 641003384 /nfs/dbraw/zinc/00/33/84/641003384.db2.gz CGYIVDHUWWXTLM-JGVFFNPUSA-N 1 0 206.311 0.053 10 0 BCAERO CO[C@@H]1C[NH2+][C@H](C(=O)NCc2ccc(C)nc2)C1 ZINC000062055397 641016216 /nfs/dbraw/zinc/01/62/16/641016216.db2.gz AGWWVAHJGJYGHY-RYUDHWBXSA-N 1 0 249.314 0.383 10 0 BCAERO [NH3+][C@H]1CCC[C@H](C(=O)N2CCn3ccnc3C2)C1 ZINC000062331089 641040740 /nfs/dbraw/zinc/04/07/40/641040740.db2.gz QNGJXLYRFMCTNZ-QWRGUYRKSA-N 1 0 248.330 0.743 10 0 BCAERO COc1ncc(Cl)c(N(C)C[C@H](C)[NH3+])n1 ZINC000087799840 641048658 /nfs/dbraw/zinc/04/86/58/641048658.db2.gz NJFJWDJIZJOECZ-LURJTMIESA-N 1 0 230.699 0.922 10 0 BCAERO CCN(c1cn[nH]c(=O)c1Cl)[C@@H]1CC[NH2+]C1 ZINC000087798502 641049184 /nfs/dbraw/zinc/04/91/84/641049184.db2.gz AUTCRIUYMHOOPZ-SSDOTTSWSA-N 1 0 242.710 0.612 10 0 BCAERO COC(=O)[C@@H]([NH3+])CCn1ccnc1C(C)C ZINC000062534538 641057342 /nfs/dbraw/zinc/05/73/42/641057342.db2.gz ZXCANVMVTWUNMP-VIFPVBQESA-N 1 0 225.292 0.897 10 0 BCAERO CCOC(=O)[C@@H]([NH3+])CCn1ccnc1CC ZINC000062537407 641059566 /nfs/dbraw/zinc/05/95/66/641059566.db2.gz BKYSNLYAEVGVKT-VIFPVBQESA-N 1 0 225.292 0.726 10 0 BCAERO O=C1CCCN1CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000172502614 641069788 /nfs/dbraw/zinc/06/97/88/641069788.db2.gz VBEVWFFSKGYMST-LLVKDONJSA-N 1 0 223.320 0.346 10 0 BCAERO Cn1nccc1CC[NH2+][C@@H]1CCCC[C@H]1O ZINC000230754743 641098381 /nfs/dbraw/zinc/09/83/81/641098381.db2.gz QHHPPRHBNBZLJX-VXGBXAGGSA-N 1 0 223.320 0.856 10 0 BCAERO CCC[C@@](C)([NH3+])C(=O)N[C@H](C(N)=O)C(C)C ZINC000231046397 641132062 /nfs/dbraw/zinc/13/20/62/641132062.db2.gz YVXLDNAVFVRUDA-GZMMTYOYSA-N 1 0 229.324 0.130 10 0 BCAERO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)[C@@H]1CCOC1 ZINC000063192577 641142099 /nfs/dbraw/zinc/14/20/99/641142099.db2.gz HJGQWVULIMEUCK-MXWKQRLJSA-N 1 0 226.320 0.751 10 0 BCAERO C[C@@H](O)[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC000346375474 641167892 /nfs/dbraw/zinc/16/78/92/641167892.db2.gz KMRUOTGVTMYRKN-RKDXNWHRSA-N 1 0 214.309 0.214 10 0 BCAERO C[N@H+](CCn1cccn1)[C@@H]1CCC[NH2+]CC1 ZINC000231668176 641191094 /nfs/dbraw/zinc/19/10/94/641191094.db2.gz QIQQEMCFJYNAPB-GFCCVEGCSA-N 1 0 222.336 0.957 10 0 BCAERO COC[C@@H]([NH3+])C(=O)N[C@@H](C)c1ccccc1 ZINC000088002229 641223453 /nfs/dbraw/zinc/22/34/53/641223453.db2.gz DDXMZMGGDIXUDW-GXSJLCMTSA-N 1 0 222.288 0.838 10 0 BCAERO COc1ccnc(C[NH2+]C(C)(C)CO)c1OC ZINC000232193829 641253405 /nfs/dbraw/zinc/25/34/05/641253405.db2.gz WWHBHENZDBWLHP-UHFFFAOYSA-N 1 0 240.303 0.959 10 0 BCAERO CC(C)[C@@H](NC(=O)CCCCC[NH3+])C(N)=O ZINC000232227253 641254078 /nfs/dbraw/zinc/25/40/78/641254078.db2.gz AFCGTAQROVKFKS-SNVBAGLBSA-N 1 0 229.324 0.132 10 0 BCAERO [NH3+]CCCCCC(=O)NC[C@H](O)C(F)(F)F ZINC000232226947 641254210 /nfs/dbraw/zinc/25/42/10/641254210.db2.gz XVVAUXKMJHUGBE-ZETCQYMHSA-N 1 0 242.241 0.545 10 0 BCAERO COC[C@H](C)[NH2+]C/C=C(/C)C(=O)OC ZINC000232428952 641278091 /nfs/dbraw/zinc/27/80/91/641278091.db2.gz KJUDUVBBPGBWEG-RDOCRHDPSA-N 1 0 201.266 0.730 10 0 BCAERO O=C(C[C@@H]1CCC[NH2+]C1)NCc1ccon1 ZINC000088052806 641280339 /nfs/dbraw/zinc/28/03/39/641280339.db2.gz YSIDFBDHZNUXAL-VIFPVBQESA-N 1 0 223.276 0.681 10 0 BCAERO CCOC(=O)N1CCC2(CC1)OC[C@H]1C[C@]12[NH3+] ZINC000675074387 641324972 /nfs/dbraw/zinc/32/49/72/641324972.db2.gz VKKXILCOJWGIDO-SKDRFNHKSA-N 1 0 240.303 0.725 10 0 BCAERO C[NH2+][C@H](C)CNC(=O)Cc1c[nH]c2ncccc12 ZINC000261750760 641472748 /nfs/dbraw/zinc/47/27/48/641472748.db2.gz NKAFTIXVIRLURG-SECBINFHSA-N 1 0 246.314 0.830 10 0 BCAERO Cc1ccc([C@H](O)CNC(=O)C2([NH3+])CC2)cc1 ZINC000151913648 641479414 /nfs/dbraw/zinc/47/94/14/641479414.db2.gz FGOKLFHJHATDDR-LLVKDONJSA-N 1 0 234.299 0.636 10 0 BCAERO CC(C)C[C@@H](CO)[NH2+]CCS(C)(=O)=O ZINC000040776791 641536875 /nfs/dbraw/zinc/53/68/75/641536875.db2.gz ZMKVHNUDTAQQPB-VIFPVBQESA-N 1 0 223.338 0.028 10 0 BCAERO C[C@@H]1CN(C(=O)[C@@H]2CC[NH2+]C2)CCS1 ZINC000155700326 641578092 /nfs/dbraw/zinc/57/80/92/641578092.db2.gz PWMYJNBYPNEZOJ-RKDXNWHRSA-N 1 0 214.334 0.560 10 0 BCAERO NC(=O)c1cc(NC[C@@H]2CCCC[NH2+]2)ccn1 ZINC000044493519 641603959 /nfs/dbraw/zinc/60/39/59/641603959.db2.gz HORSLOCMWWDSAW-JTQLQIEISA-N 1 0 234.303 0.735 10 0 BCAERO COCCOCCC(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000157998003 641624555 /nfs/dbraw/zinc/62/45/55/641624555.db2.gz VBTMKWUIRCFVCC-MNOVXSKESA-N 1 0 244.335 0.283 10 0 BCAERO CCN(c1nnc(C)c(C)n1)[C@H]1CC[NH2+]C1 ZINC000158975580 641660017 /nfs/dbraw/zinc/66/00/17/641660017.db2.gz NEHXVLADVDETDM-JTQLQIEISA-N 1 0 221.308 0.677 10 0 BCAERO O[C@H](C[NH2+]C[C@@H]1CCCO1)c1cccnc1 ZINC000032014236 641711825 /nfs/dbraw/zinc/71/18/25/641711825.db2.gz QZOCTWHKAWWFQB-NWDGAFQWSA-N 1 0 222.288 0.884 10 0 BCAERO [NH3+]C[C@H]1CCC[C@@H]1c1nc(-c2nc[nH]n2)no1 ZINC000089430735 641733572 /nfs/dbraw/zinc/73/35/72/641733572.db2.gz JQIIXJDFHYYOHD-RQJHMYQMSA-N 1 0 234.263 0.697 10 0 BCAERO CN(C)S(=O)(=O)C[C@H]([NH3+])C1CCCCC1 ZINC000075418151 641756485 /nfs/dbraw/zinc/75/64/85/641756485.db2.gz FVNPEMDTRZYXHU-JTQLQIEISA-N 1 0 234.365 0.785 10 0 BCAERO Cc1n[nH]nc1C(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000189008921 641781498 /nfs/dbraw/zinc/78/14/98/641781498.db2.gz NLIJVMMMTKUXRB-WPRPVWTQSA-N 1 0 249.318 0.422 10 0 BCAERO C([C@@H]1CCCO1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000238026686 641832639 /nfs/dbraw/zinc/83/26/39/641832639.db2.gz VUWXEWUOKBEPGT-WOPDTQHZSA-N 1 0 210.321 0.992 10 0 BCAERO CCC[C@H]([NH3+])C(=O)N[C@@](C)(CCC)C(=O)OC ZINC000154208496 641980730 /nfs/dbraw/zinc/98/07/30/641980730.db2.gz UZMJBQPZJOKAOF-CABZTGNLSA-N 1 0 244.335 0.962 10 0 BCAERO CCONC(=O)N[C@H]1CCC[N@H+](CC)C1 ZINC000154542353 642130292 /nfs/dbraw/zinc/13/02/92/642130292.db2.gz WJHMZWDQDYMRDT-VIFPVBQESA-N 1 0 215.297 0.721 10 0 BCAERO [NH3+]C[C@@H]1CCCN1C[C@H](O)CC(F)(F)F ZINC000307929511 642348724 /nfs/dbraw/zinc/34/87/24/642348724.db2.gz ABJHKWVBFUOXJH-JGVFFNPUSA-N 1 0 226.242 0.723 10 0 BCAERO C[NH2+]C1CCN(C[C@@H](O)COC(C)C)CC1 ZINC000069641098 642407940 /nfs/dbraw/zinc/40/79/40/642407940.db2.gz VNQHSZWTALMSPF-GFCCVEGCSA-N 1 0 230.352 0.456 10 0 BCAERO C[C@@H]1CN2C(=[NH+]CC[C@H]2C(F)(F)F)N1 ZINC000235392400 642472148 /nfs/dbraw/zinc/47/21/48/642472148.db2.gz JKGDSHCGVYTPSY-RITPCOANSA-N 1 0 207.199 0.971 10 0 BCAERO CCCCOC(=O)CN1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000233059726 642648987 /nfs/dbraw/zinc/64/89/87/642648987.db2.gz WPGJSVJIRXUKHL-ZJUUUORDSA-N 1 0 214.309 0.609 10 0 BCAERO C[C@@H]1COC[C@H](C)N1C(=O)CC1([NH3+])CCC1 ZINC000237634578 642726730 /nfs/dbraw/zinc/72/67/30/642726730.db2.gz SVBHIZYKDDLUIR-AOOOYVTPSA-N 1 0 226.320 0.894 10 0 BCAERO CO[C@@H](C)CC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170863875 642747024 /nfs/dbraw/zinc/74/70/24/642747024.db2.gz NZJPEOCBLHLPDH-VHSXEESVSA-N 1 0 214.309 0.574 10 0 BCAERO c1ncn(CC[NH2+][C@H]2CCCc3n[nH]cc32)n1 ZINC000353404002 642827244 /nfs/dbraw/zinc/82/72/44/642827244.db2.gz LPRPGFIASMGISI-JTQLQIEISA-N 1 0 232.291 0.668 10 0 BCAERO C[C@@H]1C[C@@H]1NC(=O)C[NH2+]C[C@H]1CCCO1 ZINC000261558671 642849253 /nfs/dbraw/zinc/84/92/53/642849253.db2.gz YPSHHRIFCNKJQR-BBBLOLIVSA-N 1 0 212.293 0.280 10 0 BCAERO C[C@@H]1C[N@H+](C[C@H](O)C2CC2)C[C@H]1N(C)C ZINC000251870175 642885061 /nfs/dbraw/zinc/88/50/61/642885061.db2.gz TYNZDRIFAGIQAV-JLLWLGSASA-N 1 0 212.337 0.639 10 0 BCAERO C[NH2+]C1CCN(C[C@H](O)COC(C)C)CC1 ZINC000069641100 642888857 /nfs/dbraw/zinc/88/88/57/642888857.db2.gz VNQHSZWTALMSPF-LBPRGKRZSA-N 1 0 230.352 0.456 10 0 BCAERO CC(C)OC[C@@H](O)CN1CCC[NH2+]CC1 ZINC000069641093 642889271 /nfs/dbraw/zinc/88/92/71/642889271.db2.gz XKAPJAYMVODEFT-NSHDSACASA-N 1 0 216.325 0.068 10 0 BCAERO CC(C)OC[C@@H](O)CN1CC[NH2+]C[C@H]1C ZINC000069660971 642892475 /nfs/dbraw/zinc/89/24/75/642892475.db2.gz HZMDTICQPLVDGL-MNOVXSKESA-N 1 0 216.325 0.066 10 0 BCAERO C[C@@H](NC(=O)CC[C@H](C)[NH3+])[C@@H]1CCCO1 ZINC000069839183 642921266 /nfs/dbraw/zinc/92/12/66/642921266.db2.gz NOKLZSRSKYSFGO-AEJSXWLSSA-N 1 0 214.309 0.798 10 0 BCAERO NC(=O)[C@@H]([NH3+])CCn1cc(C(F)(F)F)cn1 ZINC000070019391 642954548 /nfs/dbraw/zinc/95/45/48/642954548.db2.gz ZGOVTZAOSHCXJT-LURJTMIESA-N 1 0 236.197 0.105 10 0 BCAERO CCCN(C[C@H](O)COC(C)C)[C@@H]1CC[NH2+]C1 ZINC000070100147 642969738 /nfs/dbraw/zinc/96/97/38/642969738.db2.gz GJKYPHQEIMJSRJ-OLZOCXBDSA-N 1 0 244.379 0.846 10 0 BCAERO C[C@@]1(C(=O)N[C@@H]2CCC[C@H](O)C2)CCC[NH2+]1 ZINC000070618864 643048371 /nfs/dbraw/zinc/04/83/71/643048371.db2.gz QCGOZPIZZIYOPI-SCVCMEIPSA-N 1 0 226.320 0.548 10 0 BCAERO C[NH2+][C@](Cn1nccc1C)(C(N)=O)C1CC1 ZINC000070686845 643060857 /nfs/dbraw/zinc/06/08/57/643060857.db2.gz ZAZMXROOAYKTJS-NSHDSACASA-N 1 0 222.292 0.045 10 0 BCAERO C[NH2+][C@](C)(CCn1cc(Cl)c(C)n1)C(N)=O ZINC000070704303 643061589 /nfs/dbraw/zinc/06/15/89/643061589.db2.gz XQGICCFJAVQDSQ-SNVBAGLBSA-N 1 0 244.726 0.698 10 0 BCAERO Cc1c(Cl)cnn1C[C@H]([NH2+]C1CC1)C(N)=O ZINC000070704432 643063475 /nfs/dbraw/zinc/06/34/75/643063475.db2.gz LMBMMQWOJXAOPK-VIFPVBQESA-N 1 0 242.710 0.451 10 0 BCAERO CC[NH2+][C@@](C)(Cn1cc(Cl)c(C)n1)C(N)=O ZINC000070704344 643063486 /nfs/dbraw/zinc/06/34/86/643063486.db2.gz UUFJNZVJEUJTLZ-JTQLQIEISA-N 1 0 244.726 0.698 10 0 BCAERO C[C@@H](CC[NH+](C)C)NC(=O)n1ccnc1 ZINC000049559479 643086197 /nfs/dbraw/zinc/08/61/97/643086197.db2.gz GKHKPILMGHLCHS-VIFPVBQESA-N 1 0 210.281 0.781 10 0 BCAERO CCCNS(=O)(=O)C[C@H]1CCC[NH2+]1 ZINC000049631850 643117400 /nfs/dbraw/zinc/11/74/00/643117400.db2.gz MWWVTXRGPQGGDL-MRVPVSSYSA-N 1 0 206.311 0.068 10 0 BCAERO CC(C)[C@H](C)NS(=O)(=O)CC1CC[NH2+]CC1 ZINC000049642697 643134579 /nfs/dbraw/zinc/13/45/79/643134579.db2.gz RLKSJLGKDOFKSO-JTQLQIEISA-N 1 0 248.392 0.950 10 0 BCAERO O=C1NCCC[C@H]1[NH2+]Cc1cnn2ccccc12 ZINC000071373440 643135631 /nfs/dbraw/zinc/13/56/31/643135631.db2.gz SVZGHCYGIPAGPP-LLVKDONJSA-N 1 0 244.298 0.703 10 0 BCAERO CNC(=O)[C@H]([NH2+]CC[C@H]1CCOC1=O)C(C)C ZINC000183680066 643155087 /nfs/dbraw/zinc/15/50/87/643155087.db2.gz XWPNUUMALNPTJX-VHSXEESVSA-N 1 0 242.319 0.300 10 0 BCAERO CC(C)CNC(=O)[C@@H](C)[NH2+]C(C)(C)CO ZINC000035115068 643248491 /nfs/dbraw/zinc/24/84/91/643248491.db2.gz NBMPDKAWOBVNKF-SECBINFHSA-N 1 0 216.325 0.508 10 0 BCAERO Cn1cc(CCCN2CC[C@H]2C[NH3+])cn1 ZINC000757142192 643302074 /nfs/dbraw/zinc/30/20/74/643302074.db2.gz FKSILVSJXVBMIY-NSHDSACASA-N 1 0 208.309 0.386 10 0 BCAERO [NH3+]C[C@H]1CCN1c1ncnc2scnc21 ZINC000757141923 643304033 /nfs/dbraw/zinc/30/40/33/643304033.db2.gz GKHSQMYJKWGZOW-ZCFIWIBFSA-N 1 0 221.289 0.624 10 0 BCAERO CCCc1nccnc1N1CC[C@H]1C[NH3+] ZINC000757141947 643304009 /nfs/dbraw/zinc/30/40/09/643304009.db2.gz GKOIXHBFCVLDOB-VIFPVBQESA-N 1 0 206.293 0.967 10 0 BCAERO COc1ccnc(NCC[C@H]2CC[NH2+]C2)n1 ZINC000082496724 643327111 /nfs/dbraw/zinc/32/71/11/643327111.db2.gz BQNYBIBWMLXGHT-SECBINFHSA-N 1 0 222.292 0.897 10 0 BCAERO COC(C[NH2+][C@@H](C)[C@H]1CCCO1)OC ZINC000082534433 643336188 /nfs/dbraw/zinc/33/61/88/643336188.db2.gz QMSUTAUMVCJIOO-DTWKUNHWSA-N 1 0 203.282 0.762 10 0 BCAERO CCn1ccnc(N(C)C[C@@H](C)[NH3+])c1=O ZINC000082592591 643350829 /nfs/dbraw/zinc/35/08/29/643350829.db2.gz TVTSNARAFPLKLK-MRVPVSSYSA-N 1 0 210.281 0.047 10 0 BCAERO CC(=O)[C@@H]1CCC[N@@H+](CC(=O)N(C)C)C1 ZINC000082644507 643358754 /nfs/dbraw/zinc/35/87/54/643358754.db2.gz GRMNRRKABDDGSB-SNVBAGLBSA-N 1 0 212.293 0.376 10 0 BCAERO CCOC(=O)CCc1nc(C2([NH3+])CCC2)no1 ZINC000757183921 643359064 /nfs/dbraw/zinc/35/90/64/643359064.db2.gz TURMDIHENATWGM-UHFFFAOYSA-N 1 0 239.275 0.903 10 0 BCAERO CC[NH+]1CCC2(C[NH2+]C[C@@H]2C(=O)[O-])CC1 ZINC000757183650 643359458 /nfs/dbraw/zinc/35/94/58/643359458.db2.gz DXXQCVPVCKNGRH-SECBINFHSA-N 1 0 212.293 0.393 10 0 BCAERO CNC(=O)CC[N@@H+]1CCC[C@H](C(C)=O)C1 ZINC000082644518 643359587 /nfs/dbraw/zinc/35/95/87/643359587.db2.gz YUEXGVVLHFDBBY-JTQLQIEISA-N 1 0 212.293 0.424 10 0 BCAERO CC(=O)[C@H]1CCC[N@@H+]([C@@H](C)C(=O)N(C)C)C1 ZINC000082644630 643359736 /nfs/dbraw/zinc/35/97/36/643359736.db2.gz YYHPCZOEADTBQI-ONGXEEELSA-N 1 0 226.320 0.764 10 0 BCAERO CCNC(=O)CC[N@@H+]1CCC[C@@H](C(C)=O)C1 ZINC000082644516 643360580 /nfs/dbraw/zinc/36/05/80/643360580.db2.gz YUTUBPFPEZEFMI-LLVKDONJSA-N 1 0 226.320 0.814 10 0 BCAERO COC(=O)[C@@H](CO)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000757192776 643364345 /nfs/dbraw/zinc/36/43/45/643364345.db2.gz UVALQEFYWATGIG-GYIHNLGQSA-N 1 0 227.304 0.641 10 0 BCAERO CC(C)(CO)[NH2+]C[C@H](O)C(F)(F)F ZINC000082680769 643364430 /nfs/dbraw/zinc/36/44/30/643364430.db2.gz QPFSYIVTLDYKCY-YFKPBYRVSA-N 1 0 201.188 0.270 10 0 BCAERO CC(C)(CO)[NH2+]C[C@@H](O)C(F)(F)F ZINC000082680770 643366647 /nfs/dbraw/zinc/36/66/47/643366647.db2.gz QPFSYIVTLDYKCY-RXMQYKEDSA-N 1 0 201.188 0.270 10 0 BCAERO C[C@@H]1C[C@H]([C@@H]2CCC[NH2+][C@@H]2C(=O)[O-])CC[NH2+]1 ZINC000757238186 643372706 /nfs/dbraw/zinc/37/27/06/643372706.db2.gz RRVVCTHGZRAXGU-ZNSHCXBVSA-N 1 0 226.320 0.827 10 0 BCAERO CC[C@H]([NH3+])C(=O)NC[C@H]1CCCC[C@@H]1O ZINC000082995203 643396851 /nfs/dbraw/zinc/39/68/51/643396851.db2.gz RSVMWWOKRSNQSY-UTLUCORTSA-N 1 0 214.309 0.391 10 0 BCAERO [NH3+]CCC(=O)NC[C@@H]1CCCC[C@@H]1O ZINC000082995140 643397549 /nfs/dbraw/zinc/39/75/49/643397549.db2.gz ZHHPYPTZNWPHHV-IUCAKERBSA-N 1 0 200.282 0.003 10 0 BCAERO CCS(=O)(=O)CC[NH2+]C[C@@H]1CCCC[C@@H]1O ZINC000082995292 643397662 /nfs/dbraw/zinc/39/76/62/643397662.db2.gz PLBHZBBFNQPNKB-QWRGUYRKSA-N 1 0 249.376 0.562 10 0 BCAERO CC(C)(C)[C@H]([NH3+])C(=O)N[C@H]1CCCOC1 ZINC000071023430 643411846 /nfs/dbraw/zinc/41/18/46/643411846.db2.gz YVLPLXKZUAZISE-DTWKUNHWSA-N 1 0 214.309 0.655 10 0 BCAERO CCC[C@](C)([NH3+])C(=O)N[C@H]1CCCOC1 ZINC000071023569 643410934 /nfs/dbraw/zinc/41/09/34/643410934.db2.gz ZQYNJLLSSZLQRF-ONGXEEELSA-N 1 0 214.309 0.799 10 0 BCAERO CCC[C@@](C)([NH3+])C(=O)N[C@H]1CCCOC1 ZINC000071023571 643411561 /nfs/dbraw/zinc/41/15/61/643411561.db2.gz ZQYNJLLSSZLQRF-GXSJLCMTSA-N 1 0 214.309 0.799 10 0 BCAERO c1nc2c([nH]1)[C@@]1(CCN(C3CC3)C1)[NH2+]CC2 ZINC000400677845 643416548 /nfs/dbraw/zinc/41/65/48/643416548.db2.gz XJYFCMMZFANKOO-LBPRGKRZSA-N 1 0 218.304 0.619 10 0 BCAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)c1cnsn1 ZINC000307316180 643438866 /nfs/dbraw/zinc/43/88/66/643438866.db2.gz NAMOLKCGMKZMGD-RITPCOANSA-N 1 0 212.278 0.100 10 0 BCAERO CC(C)OC[C@H](O)CN(C)[C@@H]1CC[NH2+]C1 ZINC000069660999 643450097 /nfs/dbraw/zinc/45/00/97/643450097.db2.gz SCPMHSUEJONFGH-GHMZBOCLSA-N 1 0 216.325 0.066 10 0 BCAERO CCCc1nccn1C[C@@](C)([NH2+]C)C(N)=O ZINC000069964569 643452732 /nfs/dbraw/zinc/45/27/32/643452732.db2.gz ZKTOTVDURFMAES-LLVKDONJSA-N 1 0 224.308 0.299 10 0 BCAERO C[C@H]1COCCN1C(=O)[C@]1(C)CCC[NH2+]1 ZINC000070618774 643464524 /nfs/dbraw/zinc/46/45/24/643464524.db2.gz GJYRFHFMRCDFHF-ONGXEEELSA-N 1 0 212.293 0.376 10 0 BCAERO CCCn1cc(NC(=O)[C@H]2CC[NH2+]C2)cn1 ZINC000160339823 643487637 /nfs/dbraw/zinc/48/76/37/643487637.db2.gz RNIFOPLRWQFLES-VIFPVBQESA-N 1 0 222.292 0.841 10 0 BCAERO CCc1nccn1[C@H](C)C[C@](C)([NH3+])C(N)=O ZINC000082800564 643525259 /nfs/dbraw/zinc/52/52/59/643525259.db2.gz QLQCGWJPLUNQGY-KCJUWKMLSA-N 1 0 224.308 0.599 10 0 BCAERO Cc1cc(C)n([C@@H](C)C[C@](C)([NH3+])C(N)=O)n1 ZINC000082800283 643526349 /nfs/dbraw/zinc/52/63/49/643526349.db2.gz GIKNDOSDSCXYDZ-ONGXEEELSA-N 1 0 224.308 0.654 10 0 BCAERO C[C@@H]1SCC[C@@H]1NC(=O)[C@@H]1CC[NH2+]C1 ZINC000306241741 643621517 /nfs/dbraw/zinc/62/15/17/643621517.db2.gz MPRLLFAJUPNJSG-YIZRAAEISA-N 1 0 214.334 0.606 10 0 BCAERO C[C@@H]1SCC[C@H]1NC(=O)[C@@H]1CC[NH2+]C1 ZINC000306241739 643622044 /nfs/dbraw/zinc/62/20/44/643622044.db2.gz MPRLLFAJUPNJSG-DJLDLDEBSA-N 1 0 214.334 0.606 10 0 BCAERO C[C@@H]([NH3+])CC(=O)NC[C@@H]1CCC[C@@H]1O ZINC000084238594 643653018 /nfs/dbraw/zinc/65/30/18/643653018.db2.gz BICJFONFJVFCTF-VGMNWLOBSA-N 1 0 200.282 0.001 10 0 BCAERO CCOCCNC(=O)[C@@H]1CCCC[C@H]1C[NH3+] ZINC000084301956 643655213 /nfs/dbraw/zinc/65/52/13/643655213.db2.gz SJBKEARXQBBTJT-WDEREUQCSA-N 1 0 228.336 0.904 10 0 BCAERO COCCN(C)C(=O)[C@H]1CCCC[C@@H]1C[NH3+] ZINC000084302051 643655507 /nfs/dbraw/zinc/65/55/07/643655507.db2.gz DSBDYNDQAXJUQO-MNOVXSKESA-N 1 0 228.336 0.856 10 0 BCAERO [NH3+]C1CC(CNC(=O)[C@@H]2CCCOC2)C1 ZINC000084446825 643663399 /nfs/dbraw/zinc/66/33/99/643663399.db2.gz WMJCQIAVCFZVHX-HWOCKDDLSA-N 1 0 212.293 0.267 10 0 BCAERO C[C@@H]([NH2+]C[C@H](O)CO)c1cc(F)ccc1F ZINC000085246579 643697541 /nfs/dbraw/zinc/69/75/41/643697541.db2.gz AZNOFSIQKULTQY-APPZFPTMSA-N 1 0 231.242 0.969 10 0 BCAERO OC[C@H](O)C[NH2+][C@H]1CCc2c1cccc2O ZINC000085246247 643698019 /nfs/dbraw/zinc/69/80/19/643698019.db2.gz SLQNWIGISGWPDD-KCJUWKMLSA-N 1 0 223.272 0.322 10 0 BCAERO c1ccc2c(c1)C[C@H](COC1C[NH2+]C1)O2 ZINC000085537576 643757476 /nfs/dbraw/zinc/75/74/76/643757476.db2.gz QUKFHEVBAFVVFQ-SNVBAGLBSA-N 1 0 205.257 0.979 10 0 BCAERO CC(C)[C@H](C)NC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000085619014 643765342 /nfs/dbraw/zinc/76/53/42/643765342.db2.gz UANDCAIGPYJCQX-VHSXEESVSA-N 1 0 214.309 0.526 10 0 BCAERO COCCC(=O)N[C@H]1CCC[NH2+][C@@H]1C ZINC000085727268 643789592 /nfs/dbraw/zinc/78/95/92/643789592.db2.gz JUYAASJYAMOZEG-BDAKNGLRSA-N 1 0 200.282 0.280 10 0 BCAERO CCS(=O)(=O)N[C@H]1CCC[NH2+][C@@H]1C ZINC000085727491 643790397 /nfs/dbraw/zinc/79/03/97/643790397.db2.gz CTOOGHJONWFSOY-SFYZADRCSA-N 1 0 206.311 0.066 10 0 BCAERO C[NH2+]C[C@H](C)C(=O)N1CCOC[C@H]1C ZINC000086065799 643896158 /nfs/dbraw/zinc/89/61/58/643896158.db2.gz SFIYFCSQWNDHLJ-DTWKUNHWSA-N 1 0 200.282 0.089 10 0 BCAERO C[NH2+]C[C@@H](C)C(=O)N1CCOC[C@@H]1C ZINC000086065810 643897048 /nfs/dbraw/zinc/89/70/48/643897048.db2.gz SFIYFCSQWNDHLJ-BDAKNGLRSA-N 1 0 200.282 0.089 10 0 BCAERO NC(=O)[C@@]1([NH3+])CCC[C@H]1CCn1cccn1 ZINC000086547941 644148863 /nfs/dbraw/zinc/14/88/63/644148863.db2.gz GSKMXBAUPJYDRL-GXSJLCMTSA-N 1 0 222.292 0.256 10 0 BCAERO COC(=O)[C@]1([NH3+])CCC[C@@H](n2cncn2)C1 ZINC000086604691 644155254 /nfs/dbraw/zinc/15/52/54/644155254.db2.gz DIKBJVJOYDEQFE-SCZZXKLOSA-N 1 0 224.264 0.264 10 0 BCAERO COC(=O)[C@@]1([NH3+])CCC[C@@H](n2cncn2)C1 ZINC000086604692 644155732 /nfs/dbraw/zinc/15/57/32/644155732.db2.gz DIKBJVJOYDEQFE-PSASIEDQSA-N 1 0 224.264 0.264 10 0 BCAERO CCOC(=O)[C@]1([NH3+])CC[C@H](n2cccn2)C1 ZINC000086626779 644156629 /nfs/dbraw/zinc/15/66/29/644156629.db2.gz AZLRIHXUHOBVFJ-ONGXEEELSA-N 1 0 223.276 0.869 10 0 BCAERO Cc1nn([C@H]2CC[C@@]([NH3+])(C(N)=O)C2)cc1Cl ZINC000086627251 644158143 /nfs/dbraw/zinc/15/81/43/644158143.db2.gz JADWNYBCHUEANG-XVKPBYJWSA-N 1 0 242.710 0.753 10 0 BCAERO C[NH+](C)[C@H]1CCN(C(=O)C[C@@H]2CCCOC2)C1 ZINC000193137784 644216400 /nfs/dbraw/zinc/21/64/00/644216400.db2.gz XIYVCYFVZCUKHJ-RYUDHWBXSA-N 1 0 240.347 0.966 10 0 BCAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)Cc1cc[nH]n1 ZINC000193501765 644247350 /nfs/dbraw/zinc/24/73/50/644247350.db2.gz TWWMJJQPEGRMCY-WCBMZHEXSA-N 1 0 222.292 0.209 10 0 BCAERO CO[C@H](C)CC(=O)N[C@H]1CCC[NH2+][C@@H]1C ZINC000193555187 644252985 /nfs/dbraw/zinc/25/29/85/644252985.db2.gz MELUBJXJFXPQEC-BBBLOLIVSA-N 1 0 214.309 0.668 10 0 BCAERO C1[NH2+]CC1O[C@@H]1CCO[C@@]2(CCOC2)C1 ZINC000086905269 644274587 /nfs/dbraw/zinc/27/45/87/644274587.db2.gz WLKNQYVJPVBGGZ-KOLCDFICSA-N 1 0 213.277 0.313 10 0 BCAERO [NH3+][C@@H]1CCN(c2ccc3c(n2)CCCC3)C[C@H]1O ZINC000082108383 644358849 /nfs/dbraw/zinc/35/88/49/644358849.db2.gz YLMWAANWHVIXME-DGCLKSJQSA-N 1 0 247.342 0.859 10 0 BCAERO C[C@H]1COCCN1C(=O)C[C@H]1CSCC[NH2+]1 ZINC000085613216 644444175 /nfs/dbraw/zinc/44/41/75/644444175.db2.gz PUALMCJHTWORCU-UWVGGRQHSA-N 1 0 244.360 0.329 10 0 BCAERO O[C@H](CN[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000086726307 644469593 /nfs/dbraw/zinc/46/95/93/644469593.db2.gz VETSREPHZUJCRF-NWDGAFQWSA-N 1 0 206.289 0.672 10 0 BCAERO CCCNC(=O)N[C@H]1CC[NH2+]C[C@H]1F ZINC000685946220 644518080 /nfs/dbraw/zinc/51/80/80/644518080.db2.gz MOEMAMAIJFKOJW-SFYZADRCSA-N 1 0 203.261 0.396 10 0 BCAERO [NH3+]C[C@H]1CCC[C@H]1NC(=O)c1ncccc1O ZINC000089091359 644534234 /nfs/dbraw/zinc/53/42/34/644534234.db2.gz FFQPQPBFARCKES-RKDXNWHRSA-N 1 0 235.287 0.644 10 0 BCAERO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)c1ncccc1O ZINC000089091361 644534287 /nfs/dbraw/zinc/53/42/87/644534287.db2.gz FFQPQPBFARCKES-DTWKUNHWSA-N 1 0 235.287 0.644 10 0 BCAERO COC(=O)[C@H](C)NC(=O)[C@H]1CCCC[C@@H]1C[NH3+] ZINC000089389787 644548294 /nfs/dbraw/zinc/54/82/94/644548294.db2.gz LUQMDHHNMDPSMI-AEJSXWLSSA-N 1 0 242.319 0.429 10 0 BCAERO CCC[C@@H](C(=O)N[C@H]1CCOC1=O)[NH+](C)C ZINC000094126147 644709878 /nfs/dbraw/zinc/70/98/78/644709878.db2.gz BHHOGGAXJOCNTB-IUCAKERBSA-N 1 0 228.292 0.148 10 0 BCAERO C[C@@H](NC(=O)N[C@@H]1CCOC1)C1CC[NH2+]CC1 ZINC000094890505 644733061 /nfs/dbraw/zinc/73/30/61/644733061.db2.gz DHBXBIFPQUDNGL-MWLCHTKSSA-N 1 0 241.335 0.463 10 0 BCAERO COC(=O)[C@H]1C[N@H+](CC(=O)NC(C)C)C[C@H]1C ZINC000094996866 644736484 /nfs/dbraw/zinc/73/64/84/644736484.db2.gz FPHXFZNFOHJIAQ-ZJUUUORDSA-N 1 0 242.319 0.252 10 0 BCAERO CNC(=O)c1ccc(N2CCCC[C@H]2C[NH3+])nn1 ZINC000095012910 644737934 /nfs/dbraw/zinc/73/79/34/644737934.db2.gz XWYGOXMZKBTHME-VIFPVBQESA-N 1 0 249.318 0.154 10 0 BCAERO COC(=O)[C@H]1C[N@H+](CCCCO)C[C@@H]1C ZINC000094996753 644738250 /nfs/dbraw/zinc/73/82/50/644738250.db2.gz DKILRIXTIHNJGR-UWVGGRQHSA-N 1 0 215.293 0.500 10 0 BCAERO [NH3+][C@H](CC(=O)N[C@@H]1CCC[C@H](O)C1)C1CC1 ZINC000250647160 644773943 /nfs/dbraw/zinc/77/39/43/644773943.db2.gz KKEJVQAMVXDHCT-OUAUKWLOSA-N 1 0 226.320 0.534 10 0 BCAERO [NH3+][C@@H]1CC[C@H](C(=O)NC[C@H]2CCC[C@H]2O)C1 ZINC000250678817 644776044 /nfs/dbraw/zinc/77/60/44/644776044.db2.gz XKTXFBUJORBQOB-LNFKQOIKSA-N 1 0 226.320 0.391 10 0 BCAERO C[C@H](C[NH3+])C(=O)N[C@H](C)[C@H]1CCCO1 ZINC000251072361 644791465 /nfs/dbraw/zinc/79/14/65/644791465.db2.gz FSXXASCFHCGNQR-IWSPIJDZSA-N 1 0 200.282 0.265 10 0 BCAERO CCn1cc([C@@H]2CC[NH2+][C@@H](CN)C2)cn1 ZINC000757242823 644865465 /nfs/dbraw/zinc/86/54/65/644865465.db2.gz YWXXZIQFXJINRD-MWLCHTKSSA-N 1 0 208.309 0.697 10 0 BCAERO C[C@H](NC(=O)[C@@H]([NH3+])CC1CC1)[C@H]1CCCO1 ZINC000304297055 644888113 /nfs/dbraw/zinc/88/81/13/644888113.db2.gz ALBUBWSOUCJUML-INTQDDNPSA-N 1 0 226.320 0.798 10 0 BCAERO [NH3+][C@H](CC1CC1)C(=O)N[C@@H]1CCC[C@H](O)C1 ZINC000304386132 644898520 /nfs/dbraw/zinc/89/85/20/644898520.db2.gz RRYRCTMKGNRJGW-OUAUKWLOSA-N 1 0 226.320 0.534 10 0 BCAERO [NH3+][C@H](CC1CC1)C(=O)NC[C@H](O)C(F)(F)F ZINC000304389148 644900807 /nfs/dbraw/zinc/90/08/07/644900807.db2.gz SKTJARNRONLYKA-RQJHMYQMSA-N 1 0 240.225 0.153 10 0 BCAERO C[C@H]1CN(c2ncc(C=O)cn2)C[C@H]1[NH+](C)C ZINC000252819469 644911460 /nfs/dbraw/zinc/91/14/60/644911460.db2.gz NCCGZPFMFDTEHC-GXSJLCMTSA-N 1 0 234.303 0.675 10 0 BCAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1CC[S@@](C)=O ZINC000252948454 644927200 /nfs/dbraw/zinc/92/72/00/644927200.db2.gz NREPNBHULCQOBL-JRPNMDOOSA-N 1 0 230.377 0.533 10 0 BCAERO CCCN(CC(=O)OC)C[C@@H]1CCC[NH2+]C1 ZINC000220357423 645890258 /nfs/dbraw/zinc/89/02/58/645890258.db2.gz JTDHARLSHKMZDK-LLVKDONJSA-N 1 0 228.336 0.871 10 0 BCAERO CC[C@@H](CO)[N@@H+]1CCC[C@@H](NC(C)=O)C1 ZINC000929288152 646063480 /nfs/dbraw/zinc/06/34/80/646063480.db2.gz ZDQLWRDWKVVWKI-MNOVXSKESA-N 1 0 214.309 0.358 10 0 BCAERO C[C@H](O)[C@H](O)C[N@@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000929980744 646385482 /nfs/dbraw/zinc/38/54/82/646385482.db2.gz LKCGSDOYRTZQIV-ZMLRMANQSA-N 1 0 239.319 0.678 10 0 BCAERO COC[C@H](C[N@@H+]1CCOC[C@@H]1CO)C(C)C ZINC000721977316 711695480 /nfs/dbraw/zinc/69/54/80/711695480.db2.gz SKXRNXLXPPIEHE-RYUDHWBXSA-N 1 0 231.336 0.598 10 0 BCAERO C[C@H]1CN(C)C(=O)CN1C[C@@H]1CCC[NH2+]C1 ZINC000257767211 711727786 /nfs/dbraw/zinc/72/77/86/711727786.db2.gz AAJLEIKBENOTTM-WDEREUQCSA-N 1 0 225.336 0.149 10 0 BCAERO CCN1CCC[C@H]([NH2+][C@@H]2CCCC[C@H]2O)C1=O ZINC000722350497 711743722 /nfs/dbraw/zinc/74/37/22/711743722.db2.gz FOGJDZVUYSPRJT-GRYCIOLGSA-N 1 0 240.347 0.890 10 0 BCAERO Cc1cccc([C@@H](C)[NH2+]C[C@@H](O)CO)c1 ZINC000122064127 711745880 /nfs/dbraw/zinc/74/58/80/711745880.db2.gz PYXVXADTOCZHPB-ZYHUDNBSSA-N 1 0 209.289 0.999 10 0 BCAERO CCCCC[C@@H](C)[NH2+][C@@H]1CS(=O)(=O)C[C@H]1O ZINC000700600977 712000302 /nfs/dbraw/zinc/00/03/02/712000302.db2.gz ZPJNFZMMBUKRGH-GMTAPVOTSA-N 1 0 249.376 0.703 10 0 BCAERO C[C@@H]([NH2+][C@@H]1CS(=O)(=O)C[C@H]1O)[C@@H]1CC1(C)C ZINC000700606793 712001136 /nfs/dbraw/zinc/00/11/36/712001136.db2.gz XLSGOVPUFOUZEU-UTINFBMNSA-N 1 0 247.360 0.169 10 0 BCAERO C[C@H](C[C@@H]1CCOC1)[NH2+][C@@H]1CCOC[C@@H]1O ZINC000706753825 712153778 /nfs/dbraw/zinc/15/37/78/712153778.db2.gz JGANVUHISJSECT-KXNHARMFSA-N 1 0 229.320 0.541 10 0 BCAERO C[C@@H]1CN(C(=O)c2cnsn2)C[C@@H]1C[NH3+] ZINC000708827873 712199978 /nfs/dbraw/zinc/19/99/78/712199978.db2.gz JEMFKZBIPIXKGY-RQJHMYQMSA-N 1 0 226.305 0.205 10 0 BCAERO Cc1cnc(CN2C[C@H](C)[C@@H](C[NH3+])C2)cn1 ZINC000708863039 712201380 /nfs/dbraw/zinc/20/13/80/712201380.db2.gz SMUQBAASSMUHLO-ONGXEEELSA-N 1 0 220.320 0.812 10 0 BCAERO CCCS(=O)(=O)CCN1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000708893512 712202950 /nfs/dbraw/zinc/20/29/50/712202950.db2.gz KTZSVTJACMBEEV-MNOVXSKESA-N 1 0 248.392 0.338 10 0 BCAERO CO[C@@H]1CN(Cc2cnns2)[C@@](C)(C[NH3+])C1 ZINC000708930763 712203410 /nfs/dbraw/zinc/20/34/10/712203410.db2.gz KHQWCOMXRKCVTH-WCBMZHEXSA-N 1 0 242.348 0.476 10 0 BCAERO CC(C)OC[C@H](O)CN1CCCCC[C@@H]([NH3+])C1 ZINC000709017028 712205930 /nfs/dbraw/zinc/20/59/30/712205930.db2.gz VBBMVPWUEXTGQZ-CHWSQXEVSA-N 1 0 244.379 0.976 10 0 BCAERO CCN1CCO[C@H](C[NH2+][C@@H]2COC[C@@H]2C)C1 ZINC000710853330 712259603 /nfs/dbraw/zinc/25/96/03/712259603.db2.gz TYQJDAWXHAIMID-QJPTWQEYSA-N 1 0 228.336 0.332 10 0 BCAERO C[C@@H]1COCCN1C(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000710952990 712267418 /nfs/dbraw/zinc/26/74/18/712267418.db2.gz VWTAWPJQJKOVOP-GMTAPVOTSA-N 1 0 226.320 0.751 10 0 BCAERO COC1(OC)CC[C@@H]1[NH2+][C@@H]1CCC(=O)N[C@@H]1C ZINC000710965468 712269772 /nfs/dbraw/zinc/26/97/72/712269772.db2.gz IWBOFOBOUTWKLD-BBBLOLIVSA-N 1 0 242.319 0.395 10 0 BCAERO C[C@@H](O)CCNC(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000711236512 712290764 /nfs/dbraw/zinc/29/07/64/712290764.db2.gz HLWVKGQHCFSYJZ-BDAKNGLRSA-N 1 0 214.309 0.119 10 0 BCAERO O=C(N[C@@]12CCC[C@H]1[NH2+]CC2)[C@@H]1CCCO1 ZINC000711596201 712311062 /nfs/dbraw/zinc/31/10/62/712311062.db2.gz BUNVIXJPEMVIQK-HOSYDEDBSA-N 1 0 224.304 0.566 10 0 BCAERO C[C@H](C(=O)N1C[C@@H](F)C[C@H]1C[NH3+])C1CC1 ZINC000378683146 712357500 /nfs/dbraw/zinc/35/75/00/712357500.db2.gz YSBNUMMNEMDDEL-HGNGGELXSA-N 1 0 214.284 0.930 10 0 BCAERO Cn1ccc(CN2C[C@@H](F)C[C@H]2C[NH3+])n1 ZINC000378716522 712358025 /nfs/dbraw/zinc/35/80/25/712358025.db2.gz CHFZJRWHBFAAOV-WPRPVWTQSA-N 1 0 212.272 0.291 10 0 BCAERO CO[C@H](C[NH2+]CCn1cncn1)C1CC1 ZINC000378742471 712359735 /nfs/dbraw/zinc/35/97/35/712359735.db2.gz JTDCCESPGDTSRM-SNVBAGLBSA-N 1 0 210.281 0.293 10 0 BCAERO CCOCC(C)(C)[NH2+]C[C@H]1CNC(=O)O1 ZINC000378761696 712361282 /nfs/dbraw/zinc/36/12/82/712361282.db2.gz BEFAHMKKNKNXJP-MRVPVSSYSA-N 1 0 216.281 0.500 10 0 BCAERO [NH3+]C[C@@H]1C[C@H](F)CN1C[C@H]1CCCOC1 ZINC000378805389 712362748 /nfs/dbraw/zinc/36/27/48/712362748.db2.gz WQSDSMIDNWVILD-VWYCJHECSA-N 1 0 216.300 0.784 10 0 BCAERO CC(C)(CO)[NH2+]C[C@H]1CC2(CO1)CCOCC2 ZINC000712660453 712439885 /nfs/dbraw/zinc/43/98/85/712439885.db2.gz UGSAUWXIJMFLAL-LLVKDONJSA-N 1 0 243.347 0.933 10 0 BCAERO CC(C)[C@@H]([NH3+])C(C)(C)C(=O)NCC[C@@H](C)O ZINC000713003776 712451054 /nfs/dbraw/zinc/45/10/54/712451054.db2.gz NNKYBIPWLLSFIL-NXEZZACHSA-N 1 0 230.352 0.883 10 0 BCAERO C[C@@H]1C[C@H](C)CN(C(=O)[C@@H]2CO[C@H](C[NH3+])C2)C1 ZINC000713820001 712472871 /nfs/dbraw/zinc/47/28/71/712472871.db2.gz DPSZUSMUMZUIJU-USZNOCQGSA-N 1 0 240.347 0.855 10 0 BCAERO [NH3+]C[C@H]1C[C@@H](C(=O)NCc2ccsc2)CO1 ZINC000713901804 712472955 /nfs/dbraw/zinc/47/29/55/712472955.db2.gz LUWFNZHJSIPCJY-NXEZZACHSA-N 1 0 240.328 0.728 10 0 BCAERO Cc1cc(NC(=O)[C@H]2CO[C@@H](C[NH3+])C2)n(C)n1 ZINC000713816259 712472956 /nfs/dbraw/zinc/47/29/56/712472956.db2.gz ZCLDQVWHNCXCTR-RKDXNWHRSA-N 1 0 238.291 0.031 10 0 BCAERO [NH3+]C[C@H]1C[C@@H](C(=O)NCc2cccs2)CO1 ZINC000713901767 712473004 /nfs/dbraw/zinc/47/30/04/712473004.db2.gz LRAQAOUVMUXSGO-RKDXNWHRSA-N 1 0 240.328 0.728 10 0 BCAERO CC(C)N(C)C(=O)[C@H]1CO[C@@H](C[NH3+])C1 ZINC000713861864 712473230 /nfs/dbraw/zinc/47/32/30/712473230.db2.gz WRNOXIRRDLLVOJ-RKDXNWHRSA-N 1 0 200.282 0.217 10 0 BCAERO CCCN(C)C(=O)[C@@H]1CO[C@@H](C[NH3+])C1 ZINC000713837617 712473253 /nfs/dbraw/zinc/47/32/53/712473253.db2.gz NZXOWIRQIUQERK-DTWKUNHWSA-N 1 0 200.282 0.219 10 0 BCAERO COCC1CC(NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000713946557 712474718 /nfs/dbraw/zinc/47/47/18/712474718.db2.gz UBOYEEGWAVXPQK-RUJICJSRSA-N 1 0 240.347 0.903 10 0 BCAERO COCC1CC(NC(=O)CC2([NH3+])CCC2)C1 ZINC000713934054 712473785 /nfs/dbraw/zinc/47/37/85/712473785.db2.gz AOZMRJCARONEIL-UHFFFAOYSA-N 1 0 226.320 0.799 10 0 BCAERO COCC1CC(NC(=O)[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000713934206 712473799 /nfs/dbraw/zinc/47/37/99/712473799.db2.gz DSULTEXSXIBJCI-WIFZPCQCSA-N 1 0 226.320 0.655 10 0 BCAERO CC(C)[C@@H](C)NC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000715074290 712506013 /nfs/dbraw/zinc/50/60/13/712506013.db2.gz PXODYJFOVANSAO-CSMHCCOUSA-N 1 0 220.263 0.987 10 0 BCAERO CCOCCNC(=O)[C@]12C[NH2+]C[C@H]1CCCC2 ZINC000715340891 712521510 /nfs/dbraw/zinc/52/15/10/712521510.db2.gz HBAUIJQCWCHGLW-DGCLKSJQSA-N 1 0 240.347 0.919 10 0 BCAERO CO[C@H]1C[C@H]([NH2+]C2CC(C(N)=O)C2)C12CCC2 ZINC000716699656 712570514 /nfs/dbraw/zinc/57/05/14/712570514.db2.gz TUSXXQPAXWQHKS-TVUZUIDESA-N 1 0 238.331 0.798 10 0 BCAERO NC(=O)C1CC([NH2+]C[C@H]2CCSC2)C1 ZINC000716729895 712571051 /nfs/dbraw/zinc/57/10/51/712571051.db2.gz CXIOYOIOOPXXBD-AFPNSQJFSA-N 1 0 214.334 0.593 10 0 BCAERO C[C@@H]1COCC[C@H]1[NH2+]C1CC(C(N)=O)C1 ZINC000716742437 712571921 /nfs/dbraw/zinc/57/19/21/712571921.db2.gz YGDSTRHTQUVKFM-SEZDTBSWSA-N 1 0 212.293 0.265 10 0 BCAERO C[C@H]1C[C@@H]([NH2+]C2CC(C(N)=O)C2)CCO1 ZINC000716741551 712571984 /nfs/dbraw/zinc/57/19/84/712571984.db2.gz RYSYJYSISJDBSH-FMLYDFSMSA-N 1 0 212.293 0.407 10 0 BCAERO Cc1noc(C)c1C[NH2+]C1CC(C(N)=O)C1 ZINC000716760304 712572375 /nfs/dbraw/zinc/57/23/75/712572375.db2.gz MQOSTCLYUHQPOX-UHFFFAOYSA-N 1 0 223.276 0.645 10 0 BCAERO CC[C@@H]1C[C@H]([NH2+]C2CC(C(N)=O)C2)CCO1 ZINC000716769512 712572756 /nfs/dbraw/zinc/57/27/56/712572756.db2.gz JPQUOSBNMWEARK-VGRIYTJTSA-N 1 0 226.320 0.798 10 0 BCAERO CCc1nnc(C[NH2+]C2CC(C(N)=O)C2)s1 ZINC000716771136 712572857 /nfs/dbraw/zinc/57/28/57/712572857.db2.gz WJSALZUPKMZDCJ-UHFFFAOYSA-N 1 0 240.332 0.454 10 0 BCAERO C[C@H]1COCC[C@@H]1[NH2+]C1CC(C(N)=O)C1 ZINC000716742436 712571997 /nfs/dbraw/zinc/57/19/97/712571997.db2.gz YGDSTRHTQUVKFM-NFTFJBJSSA-N 1 0 212.293 0.265 10 0 BCAERO CC1(C)OCC[C@@H]1[NH2+]C1CC(C(N)=O)C1 ZINC000716741360 712572085 /nfs/dbraw/zinc/57/20/85/712572085.db2.gz POEPHZMTOVDZJX-HACHORDNSA-N 1 0 212.293 0.407 10 0 BCAERO CN(C(=O)COC1CC1)[C@@H]1CCC[NH2+]CC1 ZINC000717678425 712664109 /nfs/dbraw/zinc/66/41/09/712664109.db2.gz OGWDAFMZARQANN-SNVBAGLBSA-N 1 0 226.320 0.766 10 0 BCAERO CC(C)[C@@H](C)NC(=O)c1c(C[NH3+])cnn1C ZINC000719263901 712802082 /nfs/dbraw/zinc/80/20/82/712802082.db2.gz UENSHQOUWXJING-MRVPVSSYSA-N 1 0 224.308 0.653 10 0 BCAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]CCc1ccns1 ZINC000719875021 712825228 /nfs/dbraw/zinc/82/52/28/712825228.db2.gz WGGWAQKMTUVGKT-WCBMZHEXSA-N 1 0 239.344 0.942 10 0 BCAERO Cc1cc(CN2C[C@@H](C)[C@@H]([NH3+])C2)c(C)nn1 ZINC000720578833 712853844 /nfs/dbraw/zinc/85/38/44/712853844.db2.gz PIZWWKLSWVTXDZ-PELKAZGASA-N 1 0 220.320 0.872 10 0 BCAERO CC(C)OC[C@H](O)CN1C[C@H]([NH3+])C(C)(C)C1 ZINC000720746052 712863284 /nfs/dbraw/zinc/86/32/84/712863284.db2.gz FMBHILQLADHVNY-MNOVXSKESA-N 1 0 230.352 0.441 10 0 BCAERO C([C@@H]1CCCO1)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000720902265 712875713 /nfs/dbraw/zinc/87/57/13/712875713.db2.gz FFSJVQXJQJAXCB-SRVKXCTJSA-N 1 0 210.321 0.992 10 0 BCAERO CN(C[C@H]1CCCO1)C(=O)CC(C)(C)C[NH3+] ZINC000721213278 712898914 /nfs/dbraw/zinc/89/89/14/712898914.db2.gz DWLXUPFIMKLKNH-SNVBAGLBSA-N 1 0 228.336 0.999 10 0 BCAERO CC1(C)CC(CN2CCOC[C@@]2(C[NH3+])CO)C1 ZINC000723563477 710727870 /nfs/dbraw/zinc/72/78/70/710727870.db2.gz QKAPXBZDOWCEEG-CYBMUJFWSA-N 1 0 242.363 0.445 10 0 BCAERO [NH3+]C[C@@H]1CCCN1CCO[C@H]1CCOC1 ZINC000724913728 710745593 /nfs/dbraw/zinc/74/55/93/710745593.db2.gz IAXLSQDCNFRKAA-QWRGUYRKSA-N 1 0 214.309 0.215 10 0 BCAERO CC(C)OC[C@H](O)C[NH2+][C@H]1CCC[C@H](O)C1 ZINC000381033224 710597774 /nfs/dbraw/zinc/59/77/74/710597774.db2.gz ATCPHSNLSIMEAE-SDDRHHMPSA-N 1 0 231.336 0.665 10 0 BCAERO C[C@@H]1COC[C@H](C)N1C(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000713405186 711454140 /nfs/dbraw/zinc/45/41/40/711454140.db2.gz ZJTBHNIHMJEBDY-OQEOFVATSA-N 1 0 238.331 0.750 10 0 BCAERO C[C@@H]1[C@@H]([NH2+]C[C@@H]2CC(=O)N(C)C2)CO[C@H]1C ZINC000722754655 711470032 /nfs/dbraw/zinc/47/00/32/711470032.db2.gz UEEDKTFSPIRRSJ-NAKRPEOUSA-N 1 0 226.320 0.478 10 0 BCAERO Nc1cccc([C@H]2CCNC3=[NH+]CCN32)c1 ZINC000236387002 711493432 /nfs/dbraw/zinc/49/34/32/711493432.db2.gz JLVWXQIBRBJUDY-LLVKDONJSA-N 1 0 216.288 0.975 10 0 BCAERO O=C(NC[C@@H]1CC[NH2+]C1)c1cccn2nccc12 ZINC000723491048 711513099 /nfs/dbraw/zinc/51/30/99/711513099.db2.gz FQXWGQJYLICWTQ-SNVBAGLBSA-N 1 0 244.298 0.674 10 0 BCAERO C([C@H]1CCCO1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000257733585 711514776 /nfs/dbraw/zinc/51/47/76/711514776.db2.gz XOAVPFNYHILTJY-VXGBXAGGSA-N 1 0 210.321 0.993 10 0 BCAERO C([C@@H]1CCCO1)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000257733582 711514924 /nfs/dbraw/zinc/51/49/24/711514924.db2.gz XOAVPFNYHILTJY-RYUDHWBXSA-N 1 0 210.321 0.993 10 0 BCAERO COc1cc(N2CCO[C@H]([C@@H](C)[NH3+])C2)ncn1 ZINC000132944442 711515698 /nfs/dbraw/zinc/51/56/98/711515698.db2.gz HWIOPOJKEXAYEF-BDAKNGLRSA-N 1 0 238.291 0.038 10 0 BCAERO Cc1cc(C)nc(CN2CCO[C@@H]3C[NH2+]C[C@@H]32)c1 ZINC000723879174 711542275 /nfs/dbraw/zinc/54/22/75/711542275.db2.gz LXCCXVUUAGLXLM-UONOGXRCSA-N 1 0 247.342 0.871 10 0 BCAERO Cc1cn(C)nc1C[N@@H+]1C[C@H](C)C[C@@H](O)C1 ZINC000724008865 711554613 /nfs/dbraw/zinc/55/46/13/711554613.db2.gz BPYYDUQLQJFOMG-MWLCHTKSSA-N 1 0 223.320 0.931 10 0 BCAERO C[C@H](C(N)=O)[N@H+](C)[C@@H]1CCO[C@H](C)C1 ZINC000721492480 711562028 /nfs/dbraw/zinc/56/20/28/711562028.db2.gz IXMIAFWNVHRZGA-IWSPIJDZSA-N 1 0 200.282 0.360 10 0 BCAERO CC(C)OC[C@H](O)CN1CC[NH2+]C[C@H]1C ZINC000134851012 711567638 /nfs/dbraw/zinc/56/76/38/711567638.db2.gz HZMDTICQPLVDGL-GHMZBOCLSA-N 1 0 216.325 0.066 10 0 BCAERO CC(C)(CO)[NH2+]C[C@@H]1C[C@H]2COC[C@H]2O1 ZINC000724658508 711606325 /nfs/dbraw/zinc/60/63/25/711606325.db2.gz DXONEBDUKKDEHP-LPEHRKFASA-N 1 0 215.293 0.151 10 0 BCAERO CC(C)(CO)[NH2+][C@@H](C(N)=O)c1ccccc1 ZINC000309411134 711679996 /nfs/dbraw/zinc/67/99/96/711679996.db2.gz YABKCNFFQIZPII-SNVBAGLBSA-N 1 0 222.288 0.574 10 0 BCAERO CC(=O)CC[N@@H+]1CCC[C@@H](NC(C)=O)C1 ZINC000125161063 711718617 /nfs/dbraw/zinc/71/86/17/711718617.db2.gz QKLNYPRNSQCACE-LLVKDONJSA-N 1 0 212.293 0.566 10 0 BCAERO CCC[C@H]([NH3+])C(=O)Nc1cn(C)c(=O)cc1C ZINC000236943242 711736528 /nfs/dbraw/zinc/73/65/28/711736528.db2.gz DLZXCHJXWOUQHC-VIFPVBQESA-N 1 0 237.303 0.760 10 0 BCAERO CC(C)[C@H](C)[N@@H+]1CCC[C@](N)(CO)C1 ZINC000725613904 711750182 /nfs/dbraw/zinc/75/01/82/711750182.db2.gz PODKAXYYAXICON-WDEREUQCSA-N 1 0 200.326 0.817 10 0 BCAERO CCCn1cc(NC(=O)[C@@H]([NH3+])COC)cn1 ZINC000722371822 711750776 /nfs/dbraw/zinc/75/07/76/711750776.db2.gz CKQPGEAJCONVHV-VIFPVBQESA-N 1 0 226.280 0.205 10 0 BCAERO Cc1nnc2c(N[C@@H]3C[NH2+]C[C@H]3C)nccn12 ZINC000721867272 711792690 /nfs/dbraw/zinc/79/26/90/711792690.db2.gz RJSQHPOUFGTVKA-VXNVDRBHSA-N 1 0 232.291 0.453 10 0 BCAERO C[C@@H]1CCC[N@H+](C[C@@H]2CNC(=O)O2)[C@H]1CCO ZINC000700389480 711991117 /nfs/dbraw/zinc/99/11/17/711991117.db2.gz WZXCKNPMCHKVFC-VWYCJHECSA-N 1 0 242.319 0.578 10 0 BCAERO C[C@@H]1CCC[N@H+](C[C@H]2CNC(=O)O2)[C@H]1CCO ZINC000700389478 711991598 /nfs/dbraw/zinc/99/15/98/711991598.db2.gz WZXCKNPMCHKVFC-MXWKQRLJSA-N 1 0 242.319 0.578 10 0 BCAERO C[C@@H](C[NH3+])NC(=O)[C@@H]1Cc2ccccc2CO1 ZINC000700667913 712001906 /nfs/dbraw/zinc/00/19/06/712001906.db2.gz ZPBBLADBZYYWTO-CABZTGNLSA-N 1 0 234.299 0.591 10 0 BCAERO C[C@H](CC[NH3+])NC(=O)[C@H]1Cc2ccccc2CO1 ZINC000700658253 712002123 /nfs/dbraw/zinc/00/21/23/712002123.db2.gz XXTUGYKVAWCHPS-ZWNOBZJWSA-N 1 0 248.326 0.981 10 0 BCAERO C[NH2+][C@H](C)CNC(=O)c1cccc(F)n1 ZINC000701070699 712013538 /nfs/dbraw/zinc/01/35/38/712013538.db2.gz MSWLIZJHVZDSOG-SSDOTTSWSA-N 1 0 211.240 0.558 10 0 BCAERO C[C@@H]1CN(C(=O)c2cccc(F)n2)C[C@@H]1[NH3+] ZINC000701081487 712015018 /nfs/dbraw/zinc/01/50/18/712015018.db2.gz WJXUHUGBGLFCPW-SFYZADRCSA-N 1 0 223.251 0.640 10 0 BCAERO CC(C)(O)C[NH2+]CCOC1CCOCC1 ZINC000701377599 712021503 /nfs/dbraw/zinc/02/15/03/712021503.db2.gz QAOYZLOSGBMEJA-UHFFFAOYSA-N 1 0 217.309 0.543 10 0 BCAERO Cc1cc(OCC(=O)N2CC[C@@H]([NH3+])[C@H]2C)no1 ZINC000701390654 712022100 /nfs/dbraw/zinc/02/21/00/712022100.db2.gz JGVIBOLZMMWQHY-RKDXNWHRSA-N 1 0 239.275 0.310 10 0 BCAERO Cc1cc(OCC(=O)N2C[C@@H](C)[C@H]([NH3+])C2)no1 ZINC000701392088 712022251 /nfs/dbraw/zinc/02/22/51/712022251.db2.gz QCDOZMPBENNUPW-VXNVDRBHSA-N 1 0 239.275 0.167 10 0 BCAERO C[C@@H]1CC[C@H](C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)O1 ZINC000702053757 712037646 /nfs/dbraw/zinc/03/76/46/712037646.db2.gz OQKIKZQYPGEGLL-LSCVPOLPSA-N 1 0 238.331 0.622 10 0 BCAERO C[C@@H](NCc1ncccn1)[C@@H]1CC[NH2+]C1 ZINC000702346649 712045957 /nfs/dbraw/zinc/04/59/57/712045957.db2.gz RRRONIUHRFMJAN-NXEZZACHSA-N 1 0 206.293 0.564 10 0 BCAERO c1cnc(CN[C@@H]2CCC[NH2+]CC2)nc1 ZINC000702397229 712050120 /nfs/dbraw/zinc/05/01/20/712050120.db2.gz KUTIWOCFWZTSSN-SNVBAGLBSA-N 1 0 206.293 0.708 10 0 BCAERO CO[C@H]1C[NH2+][C@@](C)(c2nc(N(C)C)no2)C1 ZINC000702737891 712060930 /nfs/dbraw/zinc/06/09/30/712060930.db2.gz QZPSKLZTLSNFEQ-GMSGAONNSA-N 1 0 226.280 0.359 10 0 BCAERO [NH3+]CC1CC(NS(=O)(=O)c2cccnc2)C1 ZINC000705201789 712124038 /nfs/dbraw/zinc/12/40/38/712124038.db2.gz VPXTYUVFZKGSJH-UHFFFAOYSA-N 1 0 241.316 0.097 10 0 BCAERO CC(C)S(=O)(=O)CCN1CC[C@@H](O)C[C@H]1C ZINC000705220856 712124734 /nfs/dbraw/zinc/12/47/34/712124734.db2.gz BZZSNPOIPJYMTE-GHMZBOCLSA-N 1 0 249.376 0.655 10 0 BCAERO CC(C)[C@H](C)[N@@H+]1C[C@H](CO)[C@H](CO)C1 ZINC000705335367 712129265 /nfs/dbraw/zinc/12/92/65/712129265.db2.gz YFKMCJLUXKVGLA-GARJFASQSA-N 1 0 201.310 0.564 10 0 BCAERO CCC[C@@H]1C[C@H]1NC(=O)[C@@H](N)C[NH+](C)C ZINC000705393770 712129690 /nfs/dbraw/zinc/12/96/90/712129690.db2.gz LSWLNFLSACWHAT-KXUCPTDWSA-N 1 0 213.325 0.180 10 0 BCAERO CCC[C@@H]1C[C@@H]1NC(=O)[C@@H](N)C[NH+](C)C ZINC000705393776 712130257 /nfs/dbraw/zinc/13/02/57/712130257.db2.gz LSWLNFLSACWHAT-UTLUCORTSA-N 1 0 213.325 0.180 10 0 BCAERO Cn1nc(Cn2cc(C[NH3+])nn2)cc1Cl ZINC000706133482 712140347 /nfs/dbraw/zinc/14/03/47/712140347.db2.gz VJDBXDFYIFMVKB-UHFFFAOYSA-N 1 0 226.671 0.172 10 0 BCAERO CN(Cc1ccon1)C(=O)C1CC([NH3+])C1 ZINC000706662403 712151302 /nfs/dbraw/zinc/15/13/02/712151302.db2.gz WPSJOEQCWMPTAA-UHFFFAOYSA-N 1 0 209.249 0.370 10 0 BCAERO O[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CCCc2n[nH]cc21 ZINC000706739040 712153501 /nfs/dbraw/zinc/15/35/01/712153501.db2.gz WOUXZJWCIJJWSS-ADEWGFFLSA-N 1 0 237.303 0.527 10 0 BCAERO Cc1nc(C[NH2+][C@H]2CCOC[C@H]2O)sc1C ZINC000706968462 712160295 /nfs/dbraw/zinc/16/02/95/712160295.db2.gz JYYZMMMYMCRHPQ-VHSXEESVSA-N 1 0 242.344 0.999 10 0 BCAERO O[C@@H](C[NH2+][C@@H]1CCOC[C@@H]1O)c1ccccc1 ZINC000706968440 712160463 /nfs/dbraw/zinc/16/04/63/712160463.db2.gz JUKJHIJTAWDMKT-AGIUHOORSA-N 1 0 237.299 0.459 10 0 BCAERO O[C@H]1COCC[C@H]1[NH2+]Cc1ccc(Cl)cn1 ZINC000706932898 712161742 /nfs/dbraw/zinc/16/17/42/712161742.db2.gz BQBARSRYSXDIJB-MNOVXSKESA-N 1 0 242.706 0.974 10 0 BCAERO CCN(CC(=O)OC)C(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000707332717 712167928 /nfs/dbraw/zinc/16/79/28/712167928.db2.gz VZKBEJUXUQHMQZ-UWVGGRQHSA-N 1 0 242.319 0.383 10 0 BCAERO CC[NH2+][C@H](C)C(=O)N1[C@@H](C)COC[C@@H]1C ZINC000707974637 712174438 /nfs/dbraw/zinc/17/44/38/712174438.db2.gz DPVINLVHJRQZHZ-LPEHRKFASA-N 1 0 214.309 0.620 10 0 BCAERO CC[NH2+][C@H](C)C(=O)N1[C@H](C)COC[C@@H]1C ZINC000707974636 712174653 /nfs/dbraw/zinc/17/46/53/712174653.db2.gz DPVINLVHJRQZHZ-KXUCPTDWSA-N 1 0 214.309 0.620 10 0 BCAERO Cc1ccnc(N2C[C@@H](C[NH3+])[C@H](C)C2)n1 ZINC000708079895 712181524 /nfs/dbraw/zinc/18/15/24/712181524.db2.gz JHRHAFCPNNPNHX-PSASIEDQSA-N 1 0 206.293 0.816 10 0 BCAERO COCCOC[C@H](O)C[NH2+]C1CC(SC)C1 ZINC000708291906 712185591 /nfs/dbraw/zinc/18/55/91/712185591.db2.gz XMSONTZWBZNWSK-HSOILSAZSA-N 1 0 249.376 0.494 10 0 BCAERO CSC1CC([NH2+]C2CCN(CCO)CC2)C1 ZINC000708290574 712185718 /nfs/dbraw/zinc/18/57/18/712185718.db2.gz NVEVYTKDDLOGSH-UHFFFAOYSA-N 1 0 244.404 0.927 10 0 BCAERO C[C@@H]1C[N@H+](CCN2CCCC2)C[C@H]1CO ZINC000708623277 712195783 /nfs/dbraw/zinc/19/57/83/712195783.db2.gz LHEPAFLJEYSVMF-NEPJUHHUSA-N 1 0 212.337 0.642 10 0 BCAERO C[C@@H]1CN(C(=O)C(F)(F)C(F)F)C[C@@H]1C[NH3+] ZINC000708841626 712200466 /nfs/dbraw/zinc/20/04/66/712200466.db2.gz CBIWIHYNKJSREO-RITPCOANSA-N 1 0 242.216 0.940 10 0 BCAERO CC(C)[C@@H]1CN(C(=O)C2CC([NH3+])C2)CCO1 ZINC000708884815 712202451 /nfs/dbraw/zinc/20/24/51/712202451.db2.gz LMHUNZKCKHHRMJ-ILDUYXDCSA-N 1 0 226.320 0.607 10 0 BCAERO CO[C@@H]1CN(C(=O)C(C)(F)F)[C@](C)(C[NH3+])C1 ZINC000708956036 712204637 /nfs/dbraw/zinc/20/46/37/712204637.db2.gz UQTQVYSBECCIAE-CBAPKCEASA-N 1 0 236.262 0.606 10 0 BCAERO COC[C@H](C)NC(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000710910957 712262439 /nfs/dbraw/zinc/26/24/39/712262439.db2.gz FRKAGBVFZWBTDM-GUBZILKMSA-N 1 0 214.309 0.655 10 0 BCAERO [NH3+][C@H]1CC[C@H](C(=O)N[C@H]2CCCOC2)CC1 ZINC000710930437 712266208 /nfs/dbraw/zinc/26/62/08/712266208.db2.gz VIDUTVSVBZIZRI-DCAQKATOSA-N 1 0 226.320 0.799 10 0 BCAERO CO[C@H]1C[C@H]([NH2+][C@@H]2COCC[C@H]2O)C12CCC2 ZINC000710921789 712266267 /nfs/dbraw/zinc/26/62/67/712266267.db2.gz MQIFPMDNHCZSIX-WYUUTHIRSA-N 1 0 241.331 0.683 10 0 BCAERO COC1(OC)CC[C@@H]1[NH2+][C@@H]1CCO[C@H]1C ZINC000710957109 712267803 /nfs/dbraw/zinc/26/78/03/712267803.db2.gz HLDHSTPKYXPEOO-AEJSXWLSSA-N 1 0 215.293 0.905 10 0 BCAERO CCN1CC[C@@H]([NH2+][C@@H]2CCC2(OC)OC)C1 ZINC000710987187 712272315 /nfs/dbraw/zinc/27/23/15/712272315.db2.gz HZZFQXSLUQJLND-GHMZBOCLSA-N 1 0 228.336 0.822 10 0 BCAERO COC[C@H](C)NC(=O)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000711287013 712292618 /nfs/dbraw/zinc/29/26/18/712292618.db2.gz DPSFMZVFPXDHCY-UMNHJUIQSA-N 1 0 226.320 0.670 10 0 BCAERO C[C@@H]1CN(C(=O)[C@@H]2C[NH2+]CC2(C)C)C[C@@H](C)O1 ZINC000711347274 712295004 /nfs/dbraw/zinc/29/50/04/712295004.db2.gz NSFNWXYGHSUROY-MXWKQRLJSA-N 1 0 240.347 0.868 10 0 BCAERO CC1(C)C[NH2+]C[C@@H]1C(=O)NC[C@H]1CCC[C@@H]1O ZINC000711346007 712295194 /nfs/dbraw/zinc/29/51/94/712295194.db2.gz CHBXHRZQCOBABG-MXWKQRLJSA-N 1 0 240.347 0.509 10 0 BCAERO COC(=O)[C@H]1C[N@H+](CCOC2CC2)C[C@H]1C ZINC000711758093 712325911 /nfs/dbraw/zinc/32/59/11/712325911.db2.gz GXHAVBYHBQJQTL-KOLCDFICSA-N 1 0 227.304 0.906 10 0 BCAERO C[C@H]1CN(Cc2nccn2C2CC2)C[C@@H]1[NH3+] ZINC000711803874 712332106 /nfs/dbraw/zinc/33/21/06/712332106.db2.gz WKVGWPSMQWWKDR-ONGXEEELSA-N 1 0 220.320 0.997 10 0 BCAERO C[NH2+][C@H](C)C(=O)N[C@@H](C1CCC1)[C@H]1CCOC1 ZINC000711854021 712337000 /nfs/dbraw/zinc/33/70/00/712337000.db2.gz CQHSIMXYTXZQCN-USWWRNFRSA-N 1 0 240.347 0.916 10 0 BCAERO [NH3+]C[C@@H]1C[C@H](F)CN1C(=O)c1ccoc1 ZINC000378800549 712361885 /nfs/dbraw/zinc/36/18/85/712361885.db2.gz TXPNCFBNOBTVCI-IUCAKERBSA-N 1 0 212.224 0.791 10 0 BCAERO [NH3+]C1CC(CNS(=O)(=O)c2ccsc2)C1 ZINC000714325451 712382067 /nfs/dbraw/zinc/38/20/67/712382067.db2.gz OBJSMOPZZNMMNO-UHFFFAOYSA-N 1 0 246.357 0.764 10 0 BCAERO CC(C)(CO)[NH2+]C[C@@H]1CC2(CO1)CCOCC2 ZINC000712660455 712440001 /nfs/dbraw/zinc/44/00/01/712440001.db2.gz UGSAUWXIJMFLAL-NSHDSACASA-N 1 0 243.347 0.933 10 0 BCAERO [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)NCC[C@@H]2CCCO2)C1 ZINC000713227289 712455669 /nfs/dbraw/zinc/45/56/69/712455669.db2.gz VJDVAEHRAVVRGC-SRRSOLGSSA-N 1 0 238.331 0.799 10 0 BCAERO C[C@@H]1COC[C@@H](C)N1C(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000713405190 712459223 /nfs/dbraw/zinc/45/92/23/712459223.db2.gz ZJTBHNIHMJEBDY-YFVNTRNASA-N 1 0 238.331 0.750 10 0 BCAERO OC[C@H]1C[C@@H](O)C[N@@H+]1CCCOC(F)(F)F ZINC000713445615 712460290 /nfs/dbraw/zinc/46/02/90/712460290.db2.gz XOYIQKMTNOBJHU-HTQZYQBOSA-N 1 0 243.225 0.340 10 0 BCAERO C=C/C=C\CCN1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000713760550 712471852 /nfs/dbraw/zinc/47/18/52/712471852.db2.gz WALSEQUQJTYJTO-RRNNCXACSA-N 1 0 208.305 0.791 10 0 BCAERO CCC(CC)CNC(=O)[C@H]1CO[C@@H](C[NH3+])C1 ZINC000713885063 712472359 /nfs/dbraw/zinc/47/23/59/712472359.db2.gz ZMGLKHHFNRBMLW-GHMZBOCLSA-N 1 0 228.336 0.903 10 0 BCAERO Cc1ccc(CNC(=O)[C@@H]2CO[C@H](C[NH3+])C2)cc1 ZINC000713783664 712472364 /nfs/dbraw/zinc/47/23/64/712472364.db2.gz RJBQLZTWMILOFH-STQMWFEESA-N 1 0 248.326 0.975 10 0 BCAERO CC(C)OCCCNC(=O)[C@@H]1CO[C@H](C[NH3+])C1 ZINC000713771106 712472547 /nfs/dbraw/zinc/47/25/47/712472547.db2.gz GPHJQTJUGSYNFO-QWRGUYRKSA-N 1 0 244.335 0.282 10 0 BCAERO Cc1ccc(CNC(=O)[C@@H]2CO[C@@H](C[NH3+])C2)cc1 ZINC000713783662 712472560 /nfs/dbraw/zinc/47/25/60/712472560.db2.gz RJBQLZTWMILOFH-QWHCGFSZSA-N 1 0 248.326 0.975 10 0 BCAERO [NH3+]C[C@@H]1C[C@H](C(=O)Nc2ccccc2)CO1 ZINC000713777473 712472622 /nfs/dbraw/zinc/47/26/22/712472622.db2.gz ZFVDBUSGNCNZEP-ONGXEEELSA-N 1 0 220.272 0.989 10 0 BCAERO [NH3+]C[C@@H]1C[C@@H](C(=O)NCc2cccs2)CO1 ZINC000713901762 712472860 /nfs/dbraw/zinc/47/28/60/712472860.db2.gz LRAQAOUVMUXSGO-BDAKNGLRSA-N 1 0 240.328 0.728 10 0 BCAERO CC(C)(C)NC(=O)[C@@H]1CO[C@@H](C[NH3+])C1 ZINC000713835830 712473195 /nfs/dbraw/zinc/47/31/95/712473195.db2.gz GSUZZAJPLKXZGQ-JGVFFNPUSA-N 1 0 200.282 0.265 10 0 BCAERO CC(C)CN(C(=O)[C@H]1CO[C@H](C[NH3+])C1)C1CC1 ZINC000713926621 712473388 /nfs/dbraw/zinc/47/33/88/712473388.db2.gz IZERTKLIGXDLMY-PWSUYJOCSA-N 1 0 240.347 0.997 10 0 BCAERO CC(C)CN(C(=O)[C@H]1CO[C@@H](C[NH3+])C1)C1CC1 ZINC000713926624 712473455 /nfs/dbraw/zinc/47/34/55/712473455.db2.gz IZERTKLIGXDLMY-ZYHUDNBSSA-N 1 0 240.347 0.997 10 0 BCAERO C[C@H](NC(=O)[C@@H]1CO[C@H](C[NH3+])C1)C1CC1 ZINC000713861623 712473511 /nfs/dbraw/zinc/47/35/11/712473511.db2.gz VPHZFHCWZDSWKA-HGNGGELXSA-N 1 0 212.293 0.265 10 0 BCAERO COCC1CC(NC(=O)[C@@H]2C[C@@H](C)CC[NH2+]2)C1 ZINC000713945879 712474263 /nfs/dbraw/zinc/47/42/63/712474263.db2.gz OCZGLOJEJSWANW-XKGSQUFQSA-N 1 0 240.347 0.916 10 0 BCAERO COCC1CC(NC(=O)C[C@H]([NH3+])C2CC2)C1 ZINC000713936557 712474299 /nfs/dbraw/zinc/47/42/99/712474299.db2.gz ZPKMINWYISMVIG-RFBVYIQQSA-N 1 0 226.320 0.655 10 0 BCAERO COCC1CC([NH2+]C[C@H](O)Cn2cccn2)C1 ZINC000714006095 712476875 /nfs/dbraw/zinc/47/68/75/712476875.db2.gz DXEKYKHKSYGYSX-MCIGGMRASA-N 1 0 239.319 0.259 10 0 BCAERO [NH3+]C[C@H]1C[C@@H](c2nc(-c3cccnc3)no2)CO1 ZINC000714062234 712477963 /nfs/dbraw/zinc/47/79/63/712477963.db2.gz DQGNJHLSSFMDKY-NXEZZACHSA-N 1 0 246.270 0.963 10 0 BCAERO CCn1cc(CN2C[C@H](C)[C@@H](C[NH3+])C2)nn1 ZINC000714454079 712490093 /nfs/dbraw/zinc/49/00/93/712490093.db2.gz BIZNWWZVLJGGCP-UWVGGRQHSA-N 1 0 223.324 0.325 10 0 BCAERO CCC1([NH3+])CCN(c2ccc3nncn3n2)CC1 ZINC000714751919 712497183 /nfs/dbraw/zinc/49/71/83/712497183.db2.gz KGCWCBHSDGWDGC-UHFFFAOYSA-N 1 0 246.318 0.832 10 0 BCAERO C[C@@H]1[C@H]([NH3+])CCN1S(=O)(=O)CCCC1CC1 ZINC000715051253 712505216 /nfs/dbraw/zinc/50/52/16/712505216.db2.gz UVIFCVRMGYSSJK-MWLCHTKSSA-N 1 0 246.376 0.928 10 0 BCAERO [NH3+]C1CC(CNC(=O)c2cscn2)C1 ZINC000715073080 712506206 /nfs/dbraw/zinc/50/62/06/712506206.db2.gz HGEMGXRENPRWCQ-UHFFFAOYSA-N 1 0 211.290 0.610 10 0 BCAERO COC(=O)c1ccc(NC[C@H]2C[C@@H]([NH3+])C2)nn1 ZINC000715080320 712506467 /nfs/dbraw/zinc/50/64/67/712506467.db2.gz CIQDBLGCCABCGP-OCAPTIKFSA-N 1 0 236.275 0.412 10 0 BCAERO [NH3+]C1CC(CNC(=O)c2ncccc2O)C1 ZINC000715080066 712506583 /nfs/dbraw/zinc/50/65/83/712506583.db2.gz CEYLLACSHIEWTR-UHFFFAOYSA-N 1 0 221.260 0.254 10 0 BCAERO C[C@H](O)[C@H](C)[NH2+]C[C@H]1COC(C)(C)O1 ZINC000715130173 712506686 /nfs/dbraw/zinc/50/66/86/712506686.db2.gz WBHRCJUAHLTZBB-CIUDSAMLSA-N 1 0 203.282 0.497 10 0 BCAERO CN(C)c1ccc(C(=O)NCC2CC([NH3+])C2)cn1 ZINC000715133324 712513696 /nfs/dbraw/zinc/51/36/96/712513696.db2.gz IBHWHSVYGKXJMV-UHFFFAOYSA-N 1 0 248.330 0.615 10 0 BCAERO CO[C@H](C)CNC(=O)[C@]12C[NH2+]C[C@H]1CCCC2 ZINC000715344133 712521124 /nfs/dbraw/zinc/52/11/24/712521124.db2.gz PBMCJMBYJQJZRQ-NQBHXWOUSA-N 1 0 240.347 0.917 10 0 BCAERO COC(=O)CCC[NH2+][C@@H](C)c1cn(C)nn1 ZINC000715874778 712538034 /nfs/dbraw/zinc/53/80/34/712538034.db2.gz FTPQLRVKKALYCL-QMMMGPOBSA-N 1 0 226.280 0.419 10 0 BCAERO CC[N@@H+]1CCC[C@@H](N[C@@H](C)c2cn(C)nn2)C1 ZINC000715896304 712540893 /nfs/dbraw/zinc/54/08/93/712540893.db2.gz YWJCTSUWFLKPJV-WDEREUQCSA-N 1 0 237.351 0.950 10 0 BCAERO C[C@H]([NH2+]C1CCC(O)CC1)c1cn(C)nn1 ZINC000715916030 712542043 /nfs/dbraw/zinc/54/20/43/712542043.db2.gz WYLJCFGRYSJBHP-IDKOKCKLSA-N 1 0 224.308 0.769 10 0 BCAERO CCN1CC[C@@H]([NH2+]C2CC(S(C)(=O)=O)C2)C1 ZINC000716140876 712549900 /nfs/dbraw/zinc/54/99/00/712549900.db2.gz XUYIFVPUSRCARQ-KPPDAEKUSA-N 1 0 246.376 0.246 10 0 BCAERO C[C@@H]([NH2+]C1CC(S(C)(=O)=O)C1)[C@@H]1CCCO1 ZINC000716086699 712549940 /nfs/dbraw/zinc/54/99/40/712549940.db2.gz YDKIELNMPNIEDP-SFXRXQKFSA-N 1 0 247.360 0.719 10 0 BCAERO CS(=O)(=O)C1CC([NH2+][C@H]2CCC[C@H](O)C2)C1 ZINC000716082485 712550108 /nfs/dbraw/zinc/55/01/08/712550108.db2.gz BYNLNTAGGCOTES-XEAZBWPWSA-N 1 0 247.360 0.455 10 0 BCAERO O=C(NCCCCC1CC1)[C@H]1C[NH2+]CCOC1 ZINC000716415477 712559720 /nfs/dbraw/zinc/55/97/20/712559720.db2.gz DHWCUMAJJLMBAO-LBPRGKRZSA-N 1 0 240.347 0.919 10 0 BCAERO NC(=O)C1CC([NH2+]Cc2cccc3c2OCO3)C1 ZINC000716722410 712570897 /nfs/dbraw/zinc/57/08/97/712570897.db2.gz JIIKGUSMHFLIJQ-UHFFFAOYSA-N 1 0 248.282 0.769 10 0 BCAERO C[C@H]1C[C@@H]([NH2+]C2CC(C(N)=O)C2)CS1 ZINC000716730623 712571289 /nfs/dbraw/zinc/57/12/89/712571289.db2.gz GBKOKGNZJIBBCP-DFAZKQQPSA-N 1 0 214.334 0.734 10 0 BCAERO C[C@H]1C[C@H]([NH2+]C2CC(C(N)=O)C2)CS1 ZINC000716730627 712571375 /nfs/dbraw/zinc/57/13/75/712571375.db2.gz GBKOKGNZJIBBCP-KRTGUUSXSA-N 1 0 214.334 0.734 10 0 BCAERO Cc1n[nH]cc1C[NH2+]C1CC(C(N)=O)C1 ZINC000716733252 712571698 /nfs/dbraw/zinc/57/16/98/712571698.db2.gz ZDRHGENLIOTYQN-UHFFFAOYSA-N 1 0 208.265 0.072 10 0 BCAERO CO[C@H](C[NH2+]C1CC(C(N)=O)C1)C1CC1 ZINC000716754305 712572602 /nfs/dbraw/zinc/57/26/02/712572602.db2.gz HCJXHCJDXJXODW-UDNWOFFPSA-N 1 0 212.293 0.265 10 0 BCAERO CC[C@H]([NH2+]C1CC(C(N)=O)C1)[C@@H]1CCOC1 ZINC000716768442 712572799 /nfs/dbraw/zinc/57/27/99/712572799.db2.gz BIPJZYQBYRDDAK-SFXRXQKFSA-N 1 0 226.320 0.655 10 0 BCAERO CCc1nn(C)cc1C[NH2+]C1CC(C(N)=O)C1 ZINC000716782915 712573255 /nfs/dbraw/zinc/57/32/55/712573255.db2.gz KCGOCFVENZKWAS-UHFFFAOYSA-N 1 0 236.319 0.336 10 0 BCAERO C[C@@]1(C[NH3+])CCN(C(=O)n2ccnc2)C1 ZINC000379844472 712616443 /nfs/dbraw/zinc/61/64/43/712616443.db2.gz HMNCBMJQGXDROZ-JTQLQIEISA-N 1 0 208.265 0.522 10 0 BCAERO COc1cc(N2CC[C@H]3CC[C@@H](C2)[NH2+]3)ncn1 ZINC000132496484 712636949 /nfs/dbraw/zinc/63/69/49/712636949.db2.gz LZQRORCPTTYJHV-ZJUUUORDSA-N 1 0 234.303 0.816 10 0 BCAERO C[C@@H]([NH3+])CC(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000037475657 712648025 /nfs/dbraw/zinc/64/80/25/712648025.db2.gz CTSOMZMMTSKGFR-VGMNWLOBSA-N 1 0 200.282 0.360 10 0 BCAERO C[C@@H](NC(=O)C[NH2+]CC1CC1)[C@H]1CCCO1 ZINC000037478332 712648379 /nfs/dbraw/zinc/64/83/79/712648379.db2.gz DXUFQMWTVCWNQC-MWLCHTKSSA-N 1 0 226.320 0.670 10 0 BCAERO [NH3+]C1CC(C(=O)N[C@H](CO)C2CCC2)C1 ZINC000717615568 712662530 /nfs/dbraw/zinc/66/25/30/712662530.db2.gz AHCFCIFJMXZHHJ-UDNWOFFPSA-N 1 0 212.293 0.001 10 0 BCAERO C[C@H]1CN(C(=O)COC2CC2)C[C@H]1C[NH3+] ZINC000717671367 712664043 /nfs/dbraw/zinc/66/40/43/712664043.db2.gz HQZNFWGHDVYMIH-DTWKUNHWSA-N 1 0 212.293 0.219 10 0 BCAERO [NH3+][C@@H]1CCC[C@@H](C(=O)N[C@H]2CCC[C@H](O)C2)C1 ZINC000718026936 712736385 /nfs/dbraw/zinc/73/63/85/712736385.db2.gz ADGCHWVWYSPGNK-WYUUTHIRSA-N 1 0 240.347 0.924 10 0 BCAERO CC(C)(C)[C@H](O)C[NH2+]C1CC(CC(N)=O)C1 ZINC000718552963 712769269 /nfs/dbraw/zinc/76/92/69/712769269.db2.gz ORUMYBMRQRRMEN-UDNWOFFPSA-N 1 0 228.336 0.637 10 0 BCAERO OC1(C[N@@H+]2CC[C@@H](C3OCCO3)C2)CCC1 ZINC000718987804 712792380 /nfs/dbraw/zinc/79/23/80/712792380.db2.gz JZMLHGNDYPIZDS-SNVBAGLBSA-N 1 0 227.304 0.596 10 0 BCAERO C[C@@H]1[C@@H]([NH2+][C@@H]2CCCC[C@H]2O)CCN1C ZINC000719604106 712816144 /nfs/dbraw/zinc/81/61/44/712816144.db2.gz VFEVFFOVKQFEHA-WRWGMCAJSA-N 1 0 212.337 0.972 10 0 BCAERO C[C@H](N[C@@H]1CCC[NH2+]C1)c1cn(C)nn1 ZINC000720574175 712852656 /nfs/dbraw/zinc/85/26/56/712852656.db2.gz JKFKMIDMBSSBJG-DTWKUNHWSA-N 1 0 209.297 0.218 10 0 BCAERO C[C@H](C(=O)N[C@@H]1CC[NH2+]C1)[C@H]1CCCO1 ZINC000720573889 712852779 /nfs/dbraw/zinc/85/27/79/712852779.db2.gz RNMAVDIITCWYLJ-IVZWLZJFSA-N 1 0 212.293 0.280 10 0 BCAERO COC(=O)CCCC[NH2+][C@H](C)c1cn(C)nn1 ZINC000720589970 712855586 /nfs/dbraw/zinc/85/55/86/712855586.db2.gz FVFNDUJFJVHVNP-SECBINFHSA-N 1 0 240.307 0.809 10 0 BCAERO C[C@H](NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cn(C)nn1 ZINC000720596854 712856415 /nfs/dbraw/zinc/85/64/15/712856415.db2.gz UZANVZYMZSEBJG-GKDVJIACSA-N 1 0 235.335 0.749 10 0 BCAERO C[NH2+]CCN(c1nccn2c(C)nnc12)C(C)C ZINC000720800573 712866377 /nfs/dbraw/zinc/86/63/77/712866377.db2.gz RHQHTCSDBATPTF-UHFFFAOYSA-N 1 0 248.334 0.867 10 0 BCAERO C([C@@H]1CCCO1)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000720902268 712875791 /nfs/dbraw/zinc/87/57/91/712875791.db2.gz FFSJVQXJQJAXCB-TUAOUCFPSA-N 1 0 210.321 0.992 10 0 BCAERO C[C@H](NC(=O)[C@H]1[C@@H]2CC[NH2+]C[C@@H]21)C1CC1 ZINC000720953079 712882246 /nfs/dbraw/zinc/88/22/46/712882246.db2.gz IGZFNCCCGOLAEW-VFRUTBLMSA-N 1 0 208.305 0.757 10 0 BCAERO CN(C[C@@H]1CCCO1)C(=O)[C@@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC000721025951 712887284 /nfs/dbraw/zinc/88/72/84/712887284.db2.gz UMAMACMVVWTYNH-WHOHXGKFSA-N 1 0 238.331 0.479 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1CCNc1ccc(C(N)=O)nn1 ZINC000721032601 712887756 /nfs/dbraw/zinc/88/77/56/712887756.db2.gz VOGNHWIQLFHWRN-RKDXNWHRSA-N 1 0 249.318 0.233 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1CCNc1nccn(C)c1=O ZINC000721103718 712891199 /nfs/dbraw/zinc/89/11/99/712891199.db2.gz SDFKKBCEXGYRLW-NXEZZACHSA-N 1 0 236.319 0.438 10 0 BCAERO C[C@@H]1C[NH2+]C[C@H]1CCNc1ccc2nncn2n1 ZINC000721119398 712891589 /nfs/dbraw/zinc/89/15/89/712891589.db2.gz DICCKGKLFCJTSH-NXEZZACHSA-N 1 0 246.318 0.782 10 0 BCAERO